smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[NH+](CC)C[C@H]1CC[N@H+](CC2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000076003269 700221582 /nfs/dbraw/zinc/22/15/82/700221582.db2.gz WYWCTIUUEKDEIK-GOSISDBHSA-N 2 0 353.551 3.297 20 0 FGADRP C[NH+](C)CCN1CCC([NH2+][C@H]2CCSc3c(Cl)cccc32)CC1 ZINC000150995976 704907964 /nfs/dbraw/zinc/90/79/64/704907964.db2.gz MDZKEDCYHVETOD-KRWDZBQOSA-N 2 0 353.963 3.493 20 0 FGADRP C[C@@H]([NH2+]CCN1CC[NH+](Cc2ccccc2)CC1)c1cccnc1Cl ZINC000159341192 705220764 /nfs/dbraw/zinc/22/07/64/705220764.db2.gz PCLKMHMAWOLKGF-QGZVFWFLSA-N 2 0 358.917 3.203 20 0 FGADRP [NH3+]Cc1cc(C(=O)NCC2CC[NH+](Cc3ccccc3Cl)CC2)co1 ZINC000188185815 712764080 /nfs/dbraw/zinc/76/40/80/712764080.db2.gz BBMMXOVZEAYRQS-UHFFFAOYSA-N 2 0 361.873 3.034 20 0 FGADRP COCC[N@H+](C)CCCC1CC[NH+](Cc2cccc(OC)c2F)CC1 ZINC000192957947 712879188 /nfs/dbraw/zinc/87/91/88/712879188.db2.gz RFQPYJMHZSELHA-UHFFFAOYSA-N 2 0 352.494 3.405 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)NC1CC[NH+](C(C)(C)C)CC1)CC(C)C ZINC000193845379 713501768 /nfs/dbraw/zinc/50/17/68/713501768.db2.gz JIFAAZVDLLJJGB-GOSISDBHSA-N 2 0 354.583 3.305 20 0 FGADRP C[C@@H](C[NH2+]C[C@@]1(C)CCN(C(=O)OC(C)(C)C)C1)C[NH+]1CCCCC1 ZINC000195191829 713548733 /nfs/dbraw/zinc/54/87/33/713548733.db2.gz VSANCCDWPKZAOJ-FXAWDEMLSA-N 2 0 353.551 3.345 20 0 FGADRP CN(CC[C@@H]1CCCC[N@@H+]1C)C[C@@H](O)c1cccc(Br)c1 ZINC000247457527 713641067 /nfs/dbraw/zinc/64/10/67/713641067.db2.gz IAIHEOBLDRJSEE-DLBZAZTESA-N 2 0 355.320 3.289 20 0 FGADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H](C)CC(=O)Nc2ccccc2C(F)(F)F)C1 ZINC000261786942 713714235 /nfs/dbraw/zinc/71/42/35/713714235.db2.gz HUTLIRYEDRDRPH-ZIAGYGMSSA-N 2 0 357.420 3.354 20 0 FGADRP COc1cc(Br)c(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)c(OC)c1 ZINC000262097088 713718836 /nfs/dbraw/zinc/71/88/36/713718836.db2.gz VHEHKLBVPYPKTA-UHFFFAOYSA-N 2 0 369.303 3.042 20 0 FGADRP CN(CCCC[NH+]1CCCCC1)C(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000641753281 717926744 /nfs/dbraw/zinc/92/67/44/717926744.db2.gz FFPOIJOTVLJEAZ-GOSISDBHSA-N 2 0 366.575 3.258 20 0 FGADRP CC[NH+]1CCC(C[NH2+][C@@H](C)C[C@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC000310511930 713799260 /nfs/dbraw/zinc/79/92/60/713799260.db2.gz OPNJJXTZVCCOEL-FUHWJXTLSA-N 2 0 353.551 3.486 20 0 FGADRP C[C@@]1([NH2+]CCCCC[NH2+][C@@]2(C)CCO[C@H]2C2CC2)CCO[C@@H]1C1CC1 ZINC000374647458 713936523 /nfs/dbraw/zinc/93/65/23/713936523.db2.gz NPNXNQGGTZHSQR-FXELSEDVSA-N 2 0 350.547 3.251 20 0 FGADRP CC(C)[N@@H+]1CC[C@H](C[NH2+][C@@H](C)[C@H]2CCCCN2C(=O)OC(C)(C)C)C1 ZINC000386561487 713985146 /nfs/dbraw/zinc/98/51/46/713985146.db2.gz JFBXWUNDEMNZHH-RCCFBDPRSA-N 2 0 353.551 3.484 20 0 FGADRP OC1(C[NH2+]Cc2scnc2C2CC2)CC[NH+](Cc2ccccc2)CC1 ZINC000414520329 714005235 /nfs/dbraw/zinc/00/52/35/714005235.db2.gz CRWWCNZSNLFBKV-UHFFFAOYSA-N 2 0 357.523 3.137 20 0 FGADRP Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000414911243 714005469 /nfs/dbraw/zinc/00/54/69/714005469.db2.gz DPYQIJDTDBARLL-JKSUJKDBSA-N 2 0 363.303 3.303 20 0 FGADRP CC1CC[NH+](C2CCC([NH2+]Cc3cccc(S(C)(=O)=O)c3)CC2)CC1 ZINC000449198472 714041542 /nfs/dbraw/zinc/04/15/42/714041542.db2.gz BUGPINMIUBTRGO-UHFFFAOYSA-N 2 0 364.555 3.223 20 0 FGADRP CCN(CC)C(=O)[C@H]([NH2+]CC1(SC)CC[NH+](C)CC1)c1ccccc1 ZINC000521702520 714143156 /nfs/dbraw/zinc/14/31/56/714143156.db2.gz DYGUUHHFLINLLP-GOSISDBHSA-N 2 0 363.571 3.013 20 0 FGADRP C(C[NH+]1CCC[C@H]1[C@@H]1CCCOC1)C[N@@H+]1CCC[C@H]1[C@H]1CCCOC1 ZINC000521868710 714153208 /nfs/dbraw/zinc/15/32/08/714153208.db2.gz KYUSMDOLOIZUML-WOZUAGRISA-N 2 0 350.547 3.159 20 0 FGADRP CCCC[NH+]1CCC(NC(=O)NC[C@@]2([NH+](C)C)CCC[C@H](C)C2)CC1 ZINC000523335740 714228696 /nfs/dbraw/zinc/22/86/96/714228696.db2.gz JTYONCPCKXQNBI-FXAWDEMLSA-N 2 0 352.567 3.061 20 0 FGADRP COc1ccc(Cl)cc1NC(=O)CC[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000643064127 718003597 /nfs/dbraw/zinc/00/35/97/718003597.db2.gz MBGCEWUTYLAMJZ-RHSMWYFYSA-N 2 0 365.905 3.141 20 0 FGADRP C[C@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000643521943 718037357 /nfs/dbraw/zinc/03/73/57/718037357.db2.gz FRVAXSGOVCUPIY-DOTOQJQBSA-N 2 0 350.528 3.196 20 0 FGADRP COc1cc(C[NH2+]CCCC[N@@H+]2CCC[C@H]2CO)cc(C(F)(F)F)c1 ZINC000623412436 715330428 /nfs/dbraw/zinc/33/04/28/715330428.db2.gz KXBICXMPJJAKAZ-INIZCTEOSA-N 2 0 360.420 3.041 20 0 FGADRP CC[NH+]1CCN(CCC[NH2+][C@@H](C)c2cc(Br)ccc2C)CC1 ZINC000623862290 715417501 /nfs/dbraw/zinc/41/75/01/715417501.db2.gz QNWTXQFPJPUNQO-INIZCTEOSA-N 2 0 368.363 3.436 20 0 FGADRP CCC[C@@H]([NH2+][C@@H]1CCN(CCN2CCOCC2)C1)c1cc(C)sc1C ZINC000623895136 715426264 /nfs/dbraw/zinc/42/62/64/715426264.db2.gz JMZHHDUBADMTIK-UYAOXDASSA-N 2 0 365.587 3.202 20 0 FGADRP CC(C)[C@@H](C[NH2+]CCc1cccc(C(F)(F)F)c1)N1CC[NH+](C)CC1 ZINC000628201579 716124395 /nfs/dbraw/zinc/12/43/95/716124395.db2.gz MBKPPAHBNIAIOJ-GOSISDBHSA-N 2 0 357.464 3.110 20 0 FGADRP C[NH2+]CCOCC[NH2+][C@H]1c2cc(Br)ccc2SC[C@@H]1C ZINC000629529894 716303537 /nfs/dbraw/zinc/30/35/37/716303537.db2.gz PRPYARQXZRJQEX-XHDPSFHLSA-N 2 0 359.333 3.058 20 0 FGADRP [NH3+]CCCOCC[NH2+][C@H](c1ccccc1)c1cccc(Br)c1 ZINC000629535765 716304386 /nfs/dbraw/zinc/30/43/86/716304386.db2.gz FUPOYQOPDXNLTE-GOSISDBHSA-N 2 0 363.299 3.494 20 0 FGADRP CC(C)[C@@H](C[NH2+]Cc1ccc(CC(F)(F)F)cc1)N1CC[NH+](C)CC1 ZINC000631038704 716552121 /nfs/dbraw/zinc/55/21/21/716552121.db2.gz HRNGFGKOISGVDK-GOSISDBHSA-N 2 0 357.464 3.153 20 0 FGADRP CC[C@@H]1[C@@H](C(=O)N(C)C[C@H]2CC[NH+](Cc3ccc(C)s3)C2)CC[N@@H+]1C ZINC000632937719 716846111 /nfs/dbraw/zinc/84/61/11/716846111.db2.gz JZKHTKHHUHGGGI-NZSAHSFTSA-N 2 0 363.571 3.067 20 0 FGADRP CC(C)[NH+]1CCN(C2CC[NH+](Cc3ccc(C(F)F)nc3)CC2)CC1 ZINC000638154971 717414895 /nfs/dbraw/zinc/41/48/95/717414895.db2.gz XJYCHHMWKDHWES-UHFFFAOYSA-N 2 0 352.473 3.010 20 0 FGADRP CN1CC[C@@H]([NH2+]CCC[NH+](C)C)C[C@H]1c1ccc(Br)cc1 ZINC000638289461 717430264 /nfs/dbraw/zinc/43/02/64/717430264.db2.gz JHVUMLOKQXMOML-SJORKVTESA-N 2 0 354.336 3.126 20 0 FGADRP O=C(CC[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)Nc1cccc(C(F)(F)F)c1 ZINC000644524198 718118542 /nfs/dbraw/zinc/11/85/42/718118542.db2.gz ZSHOCIRBABDEHA-HOCLYGCPSA-N 2 0 355.404 3.250 20 0 FGADRP [NH3+][C@@H]1CCCC[C@H]1CC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000645242828 718196139 /nfs/dbraw/zinc/19/61/39/718196139.db2.gz RNZJYAOJNUVOMN-QFBILLFUSA-N 2 0 363.933 3.328 20 0 FGADRP CCCN(C(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C)[C@H]1CC[N@H+](C)C1 ZINC000645339367 718203718 /nfs/dbraw/zinc/20/37/18/718203718.db2.gz PXBTYXYDUACRNY-ROUUACIJSA-N 2 0 366.937 3.068 20 0 FGADRP COc1ccc(Br)cc1C1([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000647801514 718378550 /nfs/dbraw/zinc/37/85/50/718378550.db2.gz WZHNRJISQJMXNW-GZBFAFLISA-N 2 0 365.315 3.425 20 0 FGADRP C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000647970658 718390607 /nfs/dbraw/zinc/39/06/07/718390607.db2.gz TURMPAIITSQCQK-MAUKXSAKSA-N 2 0 363.933 3.181 20 0 FGADRP Fc1cccc(-c2ccc(C[NH+]3CCN(C[C@H]4CC[NH2+]C4)CC3)s2)c1 ZINC000649411809 718512498 /nfs/dbraw/zinc/51/24/98/718512498.db2.gz DQFCXPXBQRBWPQ-INIZCTEOSA-N 2 0 359.514 3.281 20 0 FGADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@H+](Cc3ccc(F)c(Br)c3)C2)C1 ZINC000650705738 718716868 /nfs/dbraw/zinc/71/68/68/718716868.db2.gz UGWWFEUQURYYJI-CKEIUWERSA-N 2 0 371.294 3.307 20 0 FGADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@H+](Cc3c(F)cccc3Br)C2)C1 ZINC000650708445 718718003 /nfs/dbraw/zinc/71/80/03/718718003.db2.gz ZPVVGPRVOSLIFC-OGHNNQOOSA-N 2 0 371.294 3.307 20 0 FGADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2Cc2ccccc2Br)C1 ZINC000650722434 718719848 /nfs/dbraw/zinc/71/98/48/718719848.db2.gz SQASEWZQIYVYGL-PVAVHDDUSA-N 2 0 353.304 3.310 20 0 FGADRP Cn1c2ccc(Cl)cc2nc1C[N@@H+]1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC000650723450 718720700 /nfs/dbraw/zinc/72/07/00/718720700.db2.gz NTUWPZYEXQMGPI-ZTFGCOKTSA-N 2 0 362.905 3.088 20 0 FGADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@@H+]2Cc2cccc(O)c2Br)C1 ZINC000650725292 718721048 /nfs/dbraw/zinc/72/10/48/718721048.db2.gz XQGSKZXEDANDLL-IJEWVQPXSA-N 2 0 369.303 3.016 20 0 FGADRP [NH3+]CC1(CC[NH2+][C@H](c2ccc(Br)cc2)[C@H]2CCCO2)CC1 ZINC000650747112 718723782 /nfs/dbraw/zinc/72/37/82/718723782.db2.gz RYCYYFBFFXELCM-HZPDHXFCSA-N 2 0 353.304 3.388 20 0 FGADRP CC(C)[C@@H](C[NH2+][C@H]1CCc2ccc(F)c(Cl)c21)N1CC[NH+](C)CC1 ZINC000651674589 718849655 /nfs/dbraw/zinc/84/96/55/718849655.db2.gz WFHVMPRJEPSMJV-DLBZAZTESA-N 2 0 353.913 3.328 20 0 FGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H]2CCc3ccc(F)c(Cl)c32)CC1 ZINC000651705340 718853073 /nfs/dbraw/zinc/85/30/73/718853073.db2.gz PJVKVXWEUVXDBU-RHSMWYFYSA-N 2 0 353.913 3.330 20 0 FGADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@H+](CCCOc3cccc(Cl)c3)C2)C1 ZINC000652348159 718934883 /nfs/dbraw/zinc/93/48/83/718934883.db2.gz WCZIDYVORULGJF-WDYCEAGBSA-N 2 0 352.906 3.327 20 0 FGADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@H+](Cc3cc(F)cc(Br)c3)C2)C1 ZINC000652348703 718935258 /nfs/dbraw/zinc/93/52/58/718935258.db2.gz NXCDHTVYXOISMI-KBRIMQKVSA-N 2 0 371.294 3.307 20 0 FGADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2CCOc2ccc(Cl)c(F)c2)C1 ZINC000652363928 718937368 /nfs/dbraw/zinc/93/73/68/718937368.db2.gz SISDMMOWIGOMPT-XWIAVFTESA-N 2 0 356.869 3.219 20 0 FGADRP c1ccc([C@@H]2C[NH2+]C[C@]23CCN(c2ncccc2C[NH+]2CCCC2)C3)cc1 ZINC001164619301 719048887 /nfs/dbraw/zinc/04/88/87/719048887.db2.gz CLDHQQCPGGRZIT-GMAHTHKFSA-N 2 0 362.521 3.261 20 0 FGADRP COCC[N@H+](C)CCOc1cccc(C[NH2+][C@@H]2CC[C@H](C)SC2)c1 ZINC000655707772 719327964 /nfs/dbraw/zinc/32/79/64/719327964.db2.gz CNPPQEKZZBYPKV-FUHWJXTLSA-N 2 0 352.544 3.017 20 0 FGADRP Cc1ccc(-c2ncc(C[NH2+][C@@H](C)CN3CC[NH+](C)CC3)s2)cc1C ZINC000655732993 719331414 /nfs/dbraw/zinc/33/14/14/719331414.db2.gz HMGOEOFSECYRJG-KRWDZBQOSA-N 2 0 358.555 3.152 20 0 FGADRP C[C@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655807485 719342598 /nfs/dbraw/zinc/34/25/98/719342598.db2.gz MKNVGMBPCAFURJ-IOASZLSFSA-N 2 0 357.420 3.352 20 0 FGADRP Cc1ncsc1-c1ccc(C[NH2+][C@@H](C)CCN2CC[NH+](C)CC2)cc1 ZINC000657439188 719649874 /nfs/dbraw/zinc/64/98/74/719649874.db2.gz WKGUNYBNBAPPAJ-INIZCTEOSA-N 2 0 358.555 3.234 20 0 FGADRP Brc1ccc(C[NH2+]CC2CC[NH+](C3CCOCC3)CC2)o1 ZINC000657536712 719667958 /nfs/dbraw/zinc/66/79/58/719667958.db2.gz OOXXJWQXWMQROJ-UHFFFAOYSA-N 2 0 357.292 3.023 20 0 FGADRP C[C@@H]([NH2+]CCCN1CC[NH+](C)CC1)c1ccc(Br)c(Cl)c1 ZINC000657823632 719717370 /nfs/dbraw/zinc/71/73/70/719717370.db2.gz ITVHTLWCOQRLEG-CYBMUJFWSA-N 2 0 374.754 3.391 20 0 FGADRP CC[C@H](Cc1ccc(Br)cc1)[NH2+]CCCC[NH+]1CCOCC1 ZINC000657838732 719719407 /nfs/dbraw/zinc/71/94/07/719719407.db2.gz FWJXXPDBDRQVTI-GOSISDBHSA-N 2 0 369.347 3.472 20 0 FGADRP COC[C@H](CC1CCOCC1)[NH2+]C1CCC([NH+]2CCC(C)CC2)CC1 ZINC000657931221 719732675 /nfs/dbraw/zinc/73/26/75/719732675.db2.gz FVZVIXMRJOEALC-KBWCOIMZSA-N 2 0 352.563 3.451 20 0 FGADRP FC1(F)C[C@@H]1OCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000658169996 719765726 /nfs/dbraw/zinc/76/57/26/719765726.db2.gz OOVAWVYWZAEWDV-MKXGPGLRSA-N 2 0 350.453 3.443 20 0 FGADRP CC1CC[NH+]([C@@H](CNC(=O)C2([NH3+])CC3(CCC3)C2)c2cccs2)CC1 ZINC000659262244 719885575 /nfs/dbraw/zinc/88/55/75/719885575.db2.gz HEFLSDDJUMOXRS-INIZCTEOSA-N 2 0 361.555 3.299 20 0 FGADRP C[C@H]1CN(CCSc2ccc(F)cc2F)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000660155207 719998600 /nfs/dbraw/zinc/99/86/00/719998600.db2.gz MMYHILCRGXOSGZ-YJBOKZPZSA-N 2 0 369.525 3.015 20 0 FGADRP COc1ccc(Cl)cc1NC(=O)CC[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660654138 720090992 /nfs/dbraw/zinc/09/09/92/720090992.db2.gz DMBWYCXADFABJI-LJQANCHMSA-N 2 0 365.905 3.095 20 0 FGADRP C[C@@H](C(=O)NCc1ccccc1Cl)[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662298690 720411949 /nfs/dbraw/zinc/41/19/49/720411949.db2.gz WUZRWQBVFGMARQ-YJBOKZPZSA-N 2 0 363.933 3.056 20 0 FGADRP C[C@H](C(=O)NCc1ccc(Cl)cc1)[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662298742 720412026 /nfs/dbraw/zinc/41/20/26/720412026.db2.gz XKHGDKVWCZJHSN-QAPCUYQASA-N 2 0 363.933 3.056 20 0 FGADRP CC(C)C[C@H](C[NH3+])CC(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000662425838 720426905 /nfs/dbraw/zinc/42/69/05/720426905.db2.gz JGLCWGCSENMKDU-SJORKVTESA-N 2 0 351.560 3.087 20 0 FGADRP CC[NH+](CC)CCCN(Cc1ccc(Cl)cc1)C(=O)C[C@@H]1CC[NH2+]C1 ZINC000662657314 720450602 /nfs/dbraw/zinc/45/06/02/720450602.db2.gz ZAWWUIRDXKPVMZ-SFHVURJKSA-N 2 0 365.949 3.400 20 0 FGADRP CC[NH+](CC)CCCN(Cc1ccc(Cl)cc1)C(=O)C[C@H]1CC[NH2+]C1 ZINC000662657313 720450614 /nfs/dbraw/zinc/45/06/14/720450614.db2.gz ZAWWUIRDXKPVMZ-GOSISDBHSA-N 2 0 365.949 3.400 20 0 FGADRP C[NH2+]CCCC(=O)N1CCC([NH2+]Cc2ccc(C(C)(C)C)s2)CC1 ZINC000663502743 720520276 /nfs/dbraw/zinc/52/02/76/720520276.db2.gz AIIYYINYDAEZRM-UHFFFAOYSA-N 2 0 351.560 3.126 20 0 FGADRP C[C@H](CCNC(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1)[NH+](C)C ZINC000663617797 720530875 /nfs/dbraw/zinc/53/08/75/720530875.db2.gz HNZOZOYKCMAXHX-CRAIPNDOSA-N 2 0 366.937 3.116 20 0 FGADRP CSc1ccc(C)c(NC(=O)N[C@@H](C)CN(C)CCC[NH+](C)C)c1 ZINC000666571114 720948911 /nfs/dbraw/zinc/94/89/11/720948911.db2.gz DXOXWVXCXQIAHL-HNNXBMFYSA-N 2 0 352.548 3.110 20 0 FGADRP CCOc1c(Br)cc(C[NH2+][C@H]2CCC[NH2+]CC2)cc1OC ZINC000666855420 720991167 /nfs/dbraw/zinc/99/11/67/720991167.db2.gz QXPKJXZWWIOAON-ZDUSSCGKSA-N 2 0 357.292 3.088 20 0 FGADRP CC(C)[NH2+][C@H]1CCCN(C(=O)NC[C@H](c2ccc(Cl)cc2)[NH+](C)C)C1 ZINC000673781516 721672399 /nfs/dbraw/zinc/67/23/99/721672399.db2.gz XSTSSDQERBMSEX-ZWKOTPCHSA-N 2 0 366.937 3.115 20 0 FGADRP C[C@H]([NH2+]C1CCN(CC(F)F)CC1)c1cccc(OCC[NH+](C)C)c1 ZINC000675792236 721774513 /nfs/dbraw/zinc/77/45/13/721774513.db2.gz MHWGEFHEDUVLTD-HNNXBMFYSA-N 2 0 355.473 3.007 20 0 FGADRP CN(C)c1cccc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)[nH+]1 ZINC001165022098 721802696 /nfs/dbraw/zinc/80/26/96/721802696.db2.gz HVJMVHOHKZHALM-SXLOBPIMSA-N 2 0 365.525 3.280 20 0 FGADRP CN(CC1CC[NH+](C)CC1)c1ccc2c(n1)CC[N@@H+](Cc1ccccc1)C2 ZINC001165041276 721932556 /nfs/dbraw/zinc/93/25/56/721932556.db2.gz NUAJDUCHWOFLFR-UHFFFAOYSA-N 2 0 364.537 3.418 20 0 FGADRP CN1CC[C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000678607628 721967321 /nfs/dbraw/zinc/96/73/21/721967321.db2.gz NMCNPUBPQHXAJM-LVFSCSRESA-N 2 0 351.897 3.441 20 0 FGADRP C[C@@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000700799996 722409741 /nfs/dbraw/zinc/40/97/41/722409741.db2.gz NVPSAQQPLOPGMH-IAGOWNOFSA-N 2 0 353.551 3.344 20 0 FGADRP C[C@@H]([NH2+]C1CCC([NH+](C)C)CC1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000715572860 722415889 /nfs/dbraw/zinc/41/58/89/722415889.db2.gz SIZJATMXCWQDCB-VEZWFGLTSA-N 2 0 353.551 3.484 20 0 FGADRP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC[C@H](C)[NH+]2CCCCC2)C1 ZINC000732448582 722484891 /nfs/dbraw/zinc/48/48/91/722484891.db2.gz GUHMTNYLRSQEHF-ROUUACIJSA-N 2 0 352.567 3.061 20 0 FGADRP CC(C)[NH2+][C@H]1CCCN(C(=O)NCCCCCCC[NH+]2CCCC2)C1 ZINC000747957074 722669352 /nfs/dbraw/zinc/66/93/52/722669352.db2.gz RMOXHTAVUBFECF-IBGZPJMESA-N 2 0 352.567 3.205 20 0 FGADRP O=C(C[NH+]1CCCCCCC1)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000748539067 722695355 /nfs/dbraw/zinc/69/53/55/722695355.db2.gz GSLDEFJMGWUZMA-UHFFFAOYSA-N 2 0 361.555 3.440 20 0 FGADRP CN1CCC([NH+]2CCC(CC[N@H+](C)Cc3ccnc(Cl)c3)CC2)CC1 ZINC000750834104 722782548 /nfs/dbraw/zinc/78/25/48/722782548.db2.gz HEQKSWZIQFRAOA-UHFFFAOYSA-N 2 0 364.965 3.363 20 0 FGADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@]2(C)CCCN(C(=O)OC(C)(C)C)C2)[C@@H](C)C1 ZINC000753763039 722911856 /nfs/dbraw/zinc/91/18/56/722911856.db2.gz LTWXBUNBSKFUBL-ZWOKBUDYSA-N 2 0 353.551 3.344 20 0 FGADRP C[N@H+](CCC1CCN(C(=O)OC(C)(C)C)CC1)C[C@H]1CCC[NH+](C)C1 ZINC000768547477 723661446 /nfs/dbraw/zinc/66/14/46/723661446.db2.gz RCIUBOFIPFTQTH-SFHVURJKSA-N 2 0 353.551 3.297 20 0 FGADRP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCC[C@@H](CCNC(=O)OC(C)(C)C)C1 ZINC000799358613 724017259 /nfs/dbraw/zinc/01/72/59/724017259.db2.gz NKFGAXQAGBDUPA-ZWKOTPCHSA-N 2 0 353.551 3.488 20 0 FGADRP COc1ccc([C@H](C)[NH2+]CC2([S@](C)=O)CC2)cc1C[NH+]1CCCCC1 ZINC000799727409 724088548 /nfs/dbraw/zinc/08/85/48/724088548.db2.gz JIWKXTPNFUSOSK-LMKMVOKYSA-N 2 0 364.555 3.243 20 0 FGADRP C[C@@H]([NH2+]CC1CN(C(=O)OC(C)(C)C)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000800373010 724188074 /nfs/dbraw/zinc/18/80/74/724188074.db2.gz GBYVRUFOZCJYFY-NVXWUHKLSA-N 2 0 351.535 3.096 20 0 FGADRP C[C@@H]([NH2+]CCCC[NH+]1CCC(C)CC1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000788527970 725070669 /nfs/dbraw/zinc/07/06/69/725070669.db2.gz MXDLAOPONNMVCB-QGZVFWFLSA-N 2 0 353.551 3.344 20 0 FGADRP C[C@H]([NH2+]CCC[NH+]1C[C@H](C)C[C@@H](C)C1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000788540396 725071712 /nfs/dbraw/zinc/07/17/12/725071712.db2.gz QPTCDZSQRDGIBA-ZACQAIPSSA-N 2 0 353.551 3.199 20 0 FGADRP CC[NH+](CC)Cc1ccc(C[NH2+]Cc2cnc(C3OCCO3)s2)cc1 ZINC000809603021 725251396 /nfs/dbraw/zinc/25/13/96/725251396.db2.gz HHLKDQLEPNCWAI-UHFFFAOYSA-N 2 0 361.511 3.320 20 0 FGADRP C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)[C@@H]1[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000809717362 725262238 /nfs/dbraw/zinc/26/22/38/725262238.db2.gz GPIVIHPJELJDSK-HSFUPAIVSA-N 2 0 351.535 3.237 20 0 FGADRP C[NH+]1CCC([C@H]2CC[N@H+](C[C@@H]3CCCN3C(=O)OC(C)(C)C)C2)CC1 ZINC000809757353 725265814 /nfs/dbraw/zinc/26/58/14/725265814.db2.gz ZCCSFOGRURMCFP-ROUUACIJSA-N 2 0 351.535 3.050 20 0 FGADRP CCOC(=O)C1([C@@H](C)[NH2+][C@H](C)c2nc3ccccc3s2)CC[NH2+]CC1 ZINC000817894681 727287137 /nfs/dbraw/zinc/28/71/37/727287137.db2.gz PNSHEFSOJQZAJS-ZIAGYGMSSA-N 2 0 361.511 3.268 20 0 FGADRP C[C@@H]1CC2(C[N@@H+]1Cc1ccccc1I)CC[NH2+]CC2 ZINC000818431726 727311214 /nfs/dbraw/zinc/31/12/14/727311214.db2.gz RUVCJTLBLUFISE-CYBMUJFWSA-N 2 0 370.278 3.255 20 0 FGADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+]C[C@H](O)c2ccccc2Br)C1 ZINC000818984267 727334403 /nfs/dbraw/zinc/33/44/03/727334403.db2.gz CLMBMUQCPQQITE-PBHICJAKSA-N 2 0 355.320 3.193 20 0 FGADRP CCC[NH+]1CCC(C[NH2+]C[C@@H](O)c2cccc(Br)c2)CC1 ZINC000818989699 727335026 /nfs/dbraw/zinc/33/50/26/727335026.db2.gz BXQXOEVTDQOGHT-QGZVFWFLSA-N 2 0 355.320 3.194 20 0 FGADRP C[NH+](C)CCOc1cccc(C[NH2+]C[C@@H](O)c2ccc(F)cc2Cl)c1 ZINC000819011655 727337759 /nfs/dbraw/zinc/33/77/59/727337759.db2.gz UXMSJFSKCVKDKS-LJQANCHMSA-N 2 0 366.864 3.243 20 0 FGADRP CCCC[NH+]1CCC([NH2+]C[C@H](O)c2cccc(Br)c2)CC1 ZINC000819044012 727341633 /nfs/dbraw/zinc/34/16/33/727341633.db2.gz XOJJIZXJFGPRCA-KRWDZBQOSA-N 2 0 355.320 3.337 20 0 FGADRP C[C@@H](CC[NH2+]C[C@@H](O)c1ccc(OC(F)(F)F)cc1)[NH+]1CCCCC1 ZINC000819231497 727360153 /nfs/dbraw/zinc/36/01/53/727360153.db2.gz XIZCQFKAJWECME-WMLDXEAASA-N 2 0 360.420 3.473 20 0 FGADRP O[C@@H](C[NH2+]C1CC[NH+](C2CCC2)CC1)c1cccc(Br)c1 ZINC000819355255 727370793 /nfs/dbraw/zinc/37/07/93/727370793.db2.gz PWXJMBFNXWMDMC-KRWDZBQOSA-N 2 0 353.304 3.089 20 0 FGADRP CC(C)C[NH+]1CCC([NH2+][C@H](C)[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC000820806655 729033202 /nfs/dbraw/zinc/03/32/02/729033202.db2.gz NLSKVHACWVZXMX-AEFFLSMTSA-N 2 0 353.551 3.484 20 0 FGADRP CC(C)C[NH+]1CCC([NH2+][C@@H](C)[C@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC000820806656 729033274 /nfs/dbraw/zinc/03/32/74/729033274.db2.gz NLSKVHACWVZXMX-FUHWJXTLSA-N 2 0 353.551 3.484 20 0 FGADRP CC(C)[C@H](CNC(=O)OC(C)(C)C)C[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000824297460 729329227 /nfs/dbraw/zinc/32/92/27/729329227.db2.gz TVHMUJLCLDZABL-KRWDZBQOSA-N 2 0 353.551 3.247 20 0 FGADRP Cc1c(Br)cncc1C[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000825762126 729394392 /nfs/dbraw/zinc/39/43/92/729394392.db2.gz AKGOPWJPNZROII-UHFFFAOYSA-N 2 0 352.320 3.460 20 0 FGADRP [NH3+]Cc1cccc(C(=O)NC[C@@H](c2cccc(Cl)c2)[NH+]2CCCC2)c1 ZINC000827008862 729421492 /nfs/dbraw/zinc/42/14/92/729421492.db2.gz YCJLWGXIVWBWQT-IBGZPJMESA-N 2 0 357.885 3.366 20 0 FGADRP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[C@H](CNC(=O)OC(C)(C)C)C2)[C@H]2CCC[C@H]21 ZINC000834907285 729845361 /nfs/dbraw/zinc/84/53/61/729845361.db2.gz NBMYWARDLDOGPS-OBVSXPTNSA-N 2 0 351.535 3.142 20 0 FGADRP CCOc1cccc(C[NH2+]Cc2ccc(CC[NH3+])cc2)c1OC(F)F ZINC000841034177 730205132 /nfs/dbraw/zinc/20/51/32/730205132.db2.gz BOCORSPNTITIDM-UHFFFAOYSA-N 2 0 350.409 3.478 20 0 FGADRP CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C[N@H+](C)C1CCC([NH3+])CC1 ZINC000843354000 730609888 /nfs/dbraw/zinc/60/98/88/730609888.db2.gz PYHVGZCOPVWTRJ-UHFFFAOYSA-N 2 0 358.313 3.154 20 0 FGADRP C[C@H](C(=O)Nc1ccc(C(F)(F)F)cc1)[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000843363876 730611125 /nfs/dbraw/zinc/61/11/25/730611125.db2.gz HAWQMOGKNJKVSW-CYBMUJFWSA-N 2 0 355.404 3.108 20 0 FGADRP C[C@@H]1C[C@@H]([NH2+]C2CC([NH+]3CCCCC3)C2)CN(C(=O)OC(C)(C)C)C1 ZINC000843407514 730616319 /nfs/dbraw/zinc/61/63/19/730616319.db2.gz SXEBRDZKIROILO-RZZCCWGQSA-N 2 0 351.535 3.238 20 0 FGADRP CC[N@H+](CCC1CC[NH+](C[C@H]2CN(C3CC3)C(=O)O2)CC1)CC(C)C ZINC000844314643 730702043 /nfs/dbraw/zinc/70/20/43/730702043.db2.gz FTLHKPFLJORTPO-IBGZPJMESA-N 2 0 351.535 3.050 20 0 FGADRP C[C@@H]1CCC[N@H+](CC[C@H]2CCC[NH+]2C)[C@H]1CCNC(=O)OC(C)(C)C ZINC000844401671 730713079 /nfs/dbraw/zinc/71/30/79/730713079.db2.gz NZAOIMCWPMQZTE-KURKYZTESA-N 2 0 353.551 3.486 20 0 FGADRP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCC(CCNC(=O)OC(C)(C)C)CC1 ZINC000844443552 730719868 /nfs/dbraw/zinc/71/98/68/730719868.db2.gz ZEJNREXOROEWOC-GOSISDBHSA-N 2 0 353.551 3.488 20 0 FGADRP C[C@H](CNC(=[NH2+])NC1CC[NH+](Cc2ccccc2)CC1)CC(F)(F)F ZINC000849117693 731231184 /nfs/dbraw/zinc/23/11/84/731231184.db2.gz QUNOASZXTQKSEF-AWEZNQCLSA-N 2 0 356.436 3.353 20 0 FGADRP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+]Cc1c(Cl)nc2cc(Cl)ccn21 ZINC000850353492 731347123 /nfs/dbraw/zinc/34/71/23/731347123.db2.gz DQKHMVCTRPOFQY-ZDUSSCGKSA-N 2 0 372.344 3.003 20 0 FGADRP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](CC1CCN(C(=O)OC(C)(C)C)CC1)C2 ZINC000852109300 731544434 /nfs/dbraw/zinc/54/44/34/731544434.db2.gz ZCQPLPDDGZHNKO-HXUWFJFHSA-N 2 0 351.535 3.051 20 0 FGADRP C[N@@H+]1CCCC[C@@H](C[NH2+]C2CCC(CNC(=O)OC(C)(C)C)CC2)C1 ZINC000858245274 732196243 /nfs/dbraw/zinc/19/62/43/732196243.db2.gz GANJOVQTHCVLPI-ADKAHSJRSA-N 2 0 353.551 3.391 20 0 FGADRP OCc1cc(N[C@@H]2CC[N@H+](Cc3ccc(C(F)(F)F)cc3)C2)cc[nH+]1 ZINC000858410862 732212107 /nfs/dbraw/zinc/21/21/07/732212107.db2.gz CRLYYYLWGDIQQS-MRXNPFEDSA-N 2 0 351.372 3.279 20 0 FGADRP CC[N@@H+]1CCC[C@@H](C[NH2+]C[C@H](CC(F)(F)F)NC(=O)OC(C)(C)C)C1 ZINC000865438038 733200799 /nfs/dbraw/zinc/20/07/99/733200799.db2.gz XWNVUKHBXGBUGK-KBPBESRZSA-N 2 0 367.456 3.154 20 0 FGADRP CC[NH+]1CCN(CCC[NH2+][C@H](C)c2cc3c(ccnc3Cl)o2)CC1 ZINC000866231150 733327047 /nfs/dbraw/zinc/32/70/47/733327047.db2.gz QAROCEPYJURXDP-CQSZACIVSA-N 2 0 350.894 3.159 20 0 FGADRP C[N@@H+]1CC[C@H](CNC(=O)[C@H]2CC[C@@H]([NH3+])CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000870911033 733901487 /nfs/dbraw/zinc/90/14/87/733901487.db2.gz PYUJYBWPUIILRG-LJGDNWOOSA-N 2 0 367.896 3.106 20 0 FGADRP C[N@H+]1CC=C(C[NH2+][C@@H](c2cccc(Br)c2)[C@@H]2CCOC2)CC1 ZINC000872053789 735582256 /nfs/dbraw/zinc/58/22/56/735582256.db2.gz NDPUMUCOUXOKMM-AEFFLSMTSA-N 2 0 365.315 3.378 20 0 FGADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@H](c2cccc(Br)c2)[C@@H]2CCOC2)C1 ZINC000872083368 735586445 /nfs/dbraw/zinc/58/64/45/735586445.db2.gz LJNNSXDPFOFYON-LFVTVUPYSA-N 2 0 367.331 3.457 20 0 FGADRP C[NH+](C)C1(C)CCC([NH2+]C[C@@H](O)COCc2ccccc2Cl)CC1 ZINC000872229988 735605588 /nfs/dbraw/zinc/60/55/88/735605588.db2.gz UQIXCDLULHCMKW-TVRKMHQQSA-N 2 0 354.922 3.070 20 0 FGADRP C[NH+](C)C1(C)CCC([NH2+]C[C@H](O)c2ccc(OC(F)(F)F)cc2)CC1 ZINC000872228566 735605716 /nfs/dbraw/zinc/60/57/16/735605716.db2.gz JYFSMGOJTGLSPP-WIHSUSGWSA-N 2 0 360.420 3.471 20 0 FGADRP CC[NH+]1CCN(CCCC[NH2+]Cc2cc(Br)c(C)s2)CC1 ZINC000873011912 735709099 /nfs/dbraw/zinc/70/90/99/735709099.db2.gz KKAUMINLTSAVHA-UHFFFAOYSA-N 2 0 374.392 3.326 20 0 FGADRP c1c(C[NH+]2CCC(c3nc(C4CCC4)no3)CC2)sc2c1C[NH2+]CC2 ZINC000873220593 735739581 /nfs/dbraw/zinc/73/95/81/735739581.db2.gz WBUVVAXUEDFUDH-UHFFFAOYSA-N 2 0 358.511 3.424 20 0 FGADRP COC[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)c1cccc(Br)c1 ZINC000873222804 735739720 /nfs/dbraw/zinc/73/97/20/735739720.db2.gz GDBCPEXGBXZKEH-DIECFANBSA-N 2 0 353.304 3.114 20 0 FGADRP CCOc1cc(C[NH2+][C@@H](C)C2CC[NH2+]CC2)cc(Br)c1OC ZINC000873223715 735739770 /nfs/dbraw/zinc/73/97/70/735739770.db2.gz RFZYUNKGKLZCLS-LBPRGKRZSA-N 2 0 371.319 3.334 20 0 FGADRP CSc1ccc([C@H](C)[NH2+]Cc2cccc(-n3cc(C[NH3+])nn3)c2)cc1 ZINC000873247716 735744006 /nfs/dbraw/zinc/74/40/06/735744006.db2.gz SKIYSJPRAJIEEH-AWEZNQCLSA-N 2 0 353.495 3.299 20 0 FGADRP Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@@H]2[NH2+][C@H](C)C2CC[NH2+]CC2)cc1 ZINC000873270312 735744953 /nfs/dbraw/zinc/74/49/53/735744953.db2.gz ZJIMNXPDIHEUHC-LSTHTHJFSA-N 2 0 364.555 3.058 20 0 FGADRP C[C@@H]([NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2)c1cc(Br)cs1 ZINC000873293822 735747626 /nfs/dbraw/zinc/74/76/26/735747626.db2.gz PPUWRYAMGQXJFX-YPMHNXCESA-N 2 0 359.333 3.320 20 0 FGADRP C[NH+]1CCC2(CC1)CC[NH+](Cc1ccc(Cl)cc1-n1cncn1)CC2 ZINC000877684374 736704418 /nfs/dbraw/zinc/70/44/18/736704418.db2.gz OAKDGYGZALFSRW-UHFFFAOYSA-N 2 0 359.905 3.229 20 0 FGADRP CCC(CC)([NH2+]CC(=O)NC1CC[NH+](C)CC1)c1ccc(Cl)cc1 ZINC000878232891 736792817 /nfs/dbraw/zinc/79/28/17/736792817.db2.gz MPKMEZLQQVNAQW-UHFFFAOYSA-N 2 0 351.922 3.155 20 0 FGADRP C[NH+]1CCC2(CC1)CC[NH+](CC[C@H]1Sc3ccccc3NC1=O)CC2 ZINC000879251443 736972597 /nfs/dbraw/zinc/97/25/97/736972597.db2.gz WNJAIHDZFJDHKT-GOSISDBHSA-N 2 0 359.539 3.297 20 0 FGADRP CC[NH+](CC)Cc1ccc(C[NH2+]Cc2c3c(nn2C)CCSC3)cc1 ZINC000882880685 737500294 /nfs/dbraw/zinc/50/02/94/737500294.db2.gz DZVNDWIFXVIMDJ-UHFFFAOYSA-N 2 0 358.555 3.341 20 0 FGADRP C[NH+](C)[C@@H](CNC(=O)[C@@H](N)c1ccccc1C(F)(F)F)c1cccs1 ZINC000884177703 737640692 /nfs/dbraw/zinc/64/06/92/737640692.db2.gz QOCMZSJKIIDKGR-ZFWWWQNUSA-N 2 0 371.428 3.186 20 0 FGADRP C[N@@H+]1CCC[C@H](CNC(=O)NC2(C[NH3+])CCCCC2)[C@@H]1c1cccs1 ZINC000891597159 739919358 /nfs/dbraw/zinc/91/93/58/739919358.db2.gz LCFPLYAVFWHZGY-NVXWUHKLSA-N 2 0 364.559 3.092 20 0 FGADRP CC(C)(C)OC(=O)N[C@H]1C[C@@H](C[NH+]2CCC(C[NH+]3CCCC3)CC2)C1 ZINC000891611638 739920692 /nfs/dbraw/zinc/92/06/92/739920692.db2.gz SIVHQIBGWMIMGQ-HDICACEKSA-N 2 0 351.535 3.098 20 0 FGADRP CC(C)[N@H+](C)Cc1cccc(C[NH2+][C@H]2CCC3(C[C@H]2F)OCCO3)c1 ZINC000892697402 740033742 /nfs/dbraw/zinc/03/37/42/740033742.db2.gz SDCIYIYYIKOCHQ-MOPGFXCFSA-N 2 0 350.478 3.250 20 0 FGADRP COCCOc1ccc(C[NH2+]CC2CC[NH+](Cc3cccs3)CC2)o1 ZINC000892753608 740040684 /nfs/dbraw/zinc/04/06/84/740040684.db2.gz XBLILSKCTJIRCS-UHFFFAOYSA-N 2 0 364.511 3.368 20 0 FGADRP CC[NH+](CC)CCC[C@@H](C)[NH2+]Cc1sc(N2CCOCC2)nc1Cl ZINC000894385758 742276361 /nfs/dbraw/zinc/27/63/61/742276361.db2.gz XJVAASAGSVDOIV-CQSZACIVSA-N 2 0 374.982 3.233 20 0 FGADRP C[C@]1(Br)C[C@@H]1C[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000895346555 742400627 /nfs/dbraw/zinc/40/06/27/742400627.db2.gz INVFNZSOFHJYQW-SJORKVTESA-N 2 0 352.320 3.057 20 0 FGADRP O=C(NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)[C@@H]1CC[C@@H]2CCCC[NH+]21 ZINC000900439907 743113544 /nfs/dbraw/zinc/11/35/44/743113544.db2.gz PSLUBETUXJUWTH-LNLFQRSKSA-N 2 0 361.555 3.093 20 0 FGADRP [NH3+]C1CC[NH+](CCc2cc(-c3ccccc3Br)no2)CC1 ZINC000901385361 743265352 /nfs/dbraw/zinc/26/53/52/743265352.db2.gz BOEMEZUEEQZSIE-UHFFFAOYSA-N 2 0 350.260 3.070 20 0 FGADRP C[C@@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[NH2+][C@H]1C[C@H](C[NH3+])C1 ZINC000902485135 743748904 /nfs/dbraw/zinc/74/89/04/743748904.db2.gz HZBAGEABFLGZNC-NHCYSSNCSA-N 2 0 363.811 3.403 20 0 FGADRP Clc1ccc(C2([NH2+]C[C@H]3CC4(CO3)CC[NH2+]CC4)CCOCC2)cc1 ZINC000903733360 743879992 /nfs/dbraw/zinc/87/99/92/743879992.db2.gz MHYFHJHJNVODHR-GOSISDBHSA-N 2 0 364.917 3.094 20 0 FGADRP Cc1cc(C[NH+](C)C)ccc1NC(=O)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000909604425 744379014 /nfs/dbraw/zinc/37/90/14/744379014.db2.gz UFWLZVNWKLYTIO-SFHVURJKSA-N 2 0 361.555 3.213 20 0 FGADRP CC(C)(C)OC(=O)NC[C@H]1CC[C@@H]([NH2+]CC2CC[NH+](C3CC3)CC2)C1 ZINC000922067385 758844485 /nfs/dbraw/zinc/84/44/85/758844485.db2.gz CNPCUYYGCZXEBG-DLBZAZTESA-N 2 0 351.535 3.144 20 0 FGADRP CC(C)[C@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1ccsc1Br)C2 ZINC000922390428 758911678 /nfs/dbraw/zinc/91/16/78/758911678.db2.gz MNIMXBDREDRJJG-IXYNUQLISA-N 2 0 373.360 3.080 20 0 FGADRP FC(F)(F)CCN1CCC([NH2+]C[C@H]2CCCN2CC(F)(F)F)CC1 ZINC000922707326 758987055 /nfs/dbraw/zinc/98/70/55/758987055.db2.gz ALFHZRXTTJFLHP-CYBMUJFWSA-N 2 0 361.374 3.020 20 0 FGADRP Cc1ccc(C(=O)NC2CC[NH+](CCC3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)s1 ZINC000923309227 759097698 /nfs/dbraw/zinc/09/76/98/759097698.db2.gz NWPSKWYKYBWIBH-ZNXRZULTSA-N 2 0 361.555 3.171 20 0 FGADRP Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)[NH2+][C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923376467 759108133 /nfs/dbraw/zinc/10/81/33/759108133.db2.gz AZHRAHHBVPEHEU-GBALPHGKSA-N 2 0 351.903 3.273 20 0 FGADRP Cc1nc(C[NH+]2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)sc1C(C)(C)C ZINC000923380499 759108807 /nfs/dbraw/zinc/10/88/07/759108807.db2.gz XCAKIZZFNGIUTR-JKSUJKDBSA-N 2 0 351.560 3.467 20 0 FGADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@H+](C[C@@H](O)c3ccc(Cl)cc3Cl)C2)C1 ZINC000923389123 759109022 /nfs/dbraw/zinc/10/90/22/759109022.db2.gz TULQCVQQAPDDND-GGBBIFEXSA-N 2 0 373.324 3.245 20 0 FGADRP [NH3+]CC[C@H]1CC[N@H+](Cc2coc(-c3ccc(Br)cc3)n2)C1 ZINC000923491680 759130992 /nfs/dbraw/zinc/13/09/92/759130992.db2.gz MDCLTCJQGAWFIO-LBPRGKRZSA-N 2 0 350.260 3.275 20 0 FGADRP C[C@@H]([NH2+]CCCN1CC[NH+](C)CC1)c1ncc(C(F)(F)F)cc1Cl ZINC000924579775 759357185 /nfs/dbraw/zinc/35/71/85/759357185.db2.gz ZLDNJQRWXSIPIV-GFCCVEGCSA-N 2 0 364.843 3.042 20 0 FGADRP C[C@H]([NH2+]Cc1cccc(OCC[N@H+](C)C2CCOCC2)c1)C1(Cl)CC1 ZINC000924929948 759419582 /nfs/dbraw/zinc/41/95/82/759419582.db2.gz OBFFTFTVBGERGB-INIZCTEOSA-N 2 0 366.933 3.426 20 0 FGADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+]C(CCC(F)(F)F)CCC(F)(F)F ZINC000924993633 759428604 /nfs/dbraw/zinc/42/86/04/759428604.db2.gz QCCZDYWFBGQANJ-LBPRGKRZSA-N 2 0 363.390 3.266 20 0 FGADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+]C(CCC(F)(F)F)CCC(F)(F)F ZINC000924993632 759429030 /nfs/dbraw/zinc/42/90/30/759429030.db2.gz QCCZDYWFBGQANJ-GFCCVEGCSA-N 2 0 363.390 3.266 20 0 FGADRP CCC[C@@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)c1ncccc1Cl ZINC000925038929 759434741 /nfs/dbraw/zinc/43/47/41/759434741.db2.gz HTCDVVMONRWYQI-MAUKXSAKSA-N 2 0 350.938 3.334 20 0 FGADRP C[NH+]1CCC(C[NH2+][C@H]2CCc3c2nccc3Cl)(N2CCCCC2)CC1 ZINC000925157105 759456830 /nfs/dbraw/zinc/45/68/30/759456830.db2.gz STZYCJSDRJRRPK-SFHVURJKSA-N 2 0 362.949 3.262 20 0 FGADRP [NH3+][C@H]1C[C@H]2COC[C@@H](C1)[C@H]2[NH2+]Cc1cc2cc(Br)ccc2o1 ZINC000925760506 759533172 /nfs/dbraw/zinc/53/31/72/759533172.db2.gz XCPJYWQJPNIHMA-WZAZCHOZSA-N 2 0 365.271 3.037 20 0 FGADRP Cc1nc(-c2cc([C@H](C)[NH2+]CCN3CCC([NH3+])CC3)cs2)cs1 ZINC000925808651 759546622 /nfs/dbraw/zinc/54/66/22/759546622.db2.gz CBXMBRPLFPXIJV-LBPRGKRZSA-N 2 0 350.557 3.254 20 0 FGADRP COc1cc([C@@H](C)[NH2+]CCN2CCC([NH3+])CC2)ccc1SC(F)F ZINC000925809026 759547878 /nfs/dbraw/zinc/54/78/78/759547878.db2.gz HFIYTCBVQGXKFR-GFCCVEGCSA-N 2 0 359.486 3.084 20 0 FGADRP Cc1nc2c(s1)[C@H]([NH2+]Cc1ccc(CN3CC[NH2+]CC3)cc1)CCC2 ZINC000925809288 759548444 /nfs/dbraw/zinc/54/84/44/759548444.db2.gz PKOAUPLBJZICOS-GOSISDBHSA-N 2 0 356.539 3.024 20 0 FGADRP C[C@@H]([NH2+]CCN1CCC([NH3+])CC1)c1cc2cc(Br)ccc2o1 ZINC000925809891 759548472 /nfs/dbraw/zinc/54/84/72/759548472.db2.gz BURJASJOKVJPDN-GFCCVEGCSA-N 2 0 366.303 3.269 20 0 FGADRP CC(C)[C@@H]([NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ccc(Cl)cc1F ZINC000925856370 759560279 /nfs/dbraw/zinc/56/02/79/759560279.db2.gz NNROULCSXNGHAO-RHSMWYFYSA-N 2 0 368.880 3.451 20 0 FGADRP CC[C@@H]([NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1cccc(Cl)c1F ZINC000925855494 759560555 /nfs/dbraw/zinc/56/05/55/759560555.db2.gz KRHCZTPIJRYDDG-SWLSCSKDSA-N 2 0 354.853 3.205 20 0 FGADRP Cc1ccc(S(=O)(=O)C[C@@H](C)[NH2+]C2CCC(C)([NH+]3CCC3)CC2)cc1 ZINC000927040198 759881200 /nfs/dbraw/zinc/88/12/00/759881200.db2.gz ZAZWNYAHNCVMJR-PGYGNJIDSA-N 2 0 364.555 3.154 20 0 FGADRP C[N@@H+]1CC[C@@H]2C[NH+](CCC(=O)Nc3cc(Cl)ccc3Cl)C[C@@H]2C1 ZINC000931441843 760863282 /nfs/dbraw/zinc/86/32/82/760863282.db2.gz ZQAIDWYMPOFENQ-OLZOCXBDSA-N 2 0 356.297 3.206 20 0 FGADRP C[N@@H+]1CC[C@@H](CNC(=O)CC[NH2+]C(C)(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000935145205 761801222 /nfs/dbraw/zinc/80/12/22/761801222.db2.gz BVGCUGPOWHQQBY-KBXCAEBGSA-N 2 0 369.912 3.366 20 0 FGADRP CC[C@@H]1[C@@H](C(=O)N[C@@]23CCC[C@H]2[NH+](Cc2ccsc2)CC3)CC[N@@H+]1C ZINC000990761492 764561081 /nfs/dbraw/zinc/56/10/81/764561081.db2.gz IUIQUHJLAPGCMD-JRBPQWBISA-N 2 0 361.555 3.092 20 0 FGADRP C[C@H]([NH2+]C1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1)c1ccc(Cl)cc1 ZINC000996601185 765019490 /nfs/dbraw/zinc/01/94/90/765019490.db2.gz AGQBKRUTMXKXKN-QMTMVMCOSA-N 2 0 363.933 3.322 20 0 FGADRP CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@@H]1CC[N@H+](Cc2ccccc2Cl)C1 ZINC001033835285 766223088 /nfs/dbraw/zinc/22/30/88/766223088.db2.gz WXFGYEHBAYECCJ-KBAYOESNSA-N 2 0 363.933 3.103 20 0 FGADRP CC[C@@H]1[C@@H](C(=O)N2CCCC[C@@]3(CC[NH+](C/C=C\Cl)C3)C2)CC[N@@H+]1C ZINC001045938716 766576528 /nfs/dbraw/zinc/57/65/28/766576528.db2.gz JQTFVIDJORBHCA-JMVLCYLXSA-N 2 0 367.965 3.174 20 0 FGADRP C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)NCC2CC[NH2+]CC2)c1 ZINC000573595502 505574861 /nfs/dbraw/zinc/57/48/61/505574861.db2.gz UIUNQFGMNSCIBK-UHFFFAOYSA-N 2 0 351.494 3.048 20 0 FGADRP Cc1ccccc1[C@H]([NH3+])C(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000567981546 505589429 /nfs/dbraw/zinc/58/94/29/505589429.db2.gz OOAWCAZLSQODQT-NRFANRHFSA-N 2 0 366.509 3.155 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC000579746314 505611691 /nfs/dbraw/zinc/61/16/91/505611691.db2.gz OCLJPIBLZNSBMI-XMSQKQJNSA-N 2 0 365.521 3.041 20 0 FGADRP COc1cccc(NC2CC[NH+](Cc3ccc4c(c3)C[NH2+]CC4)CC2)c1 ZINC000570934331 505615199 /nfs/dbraw/zinc/61/51/99/505615199.db2.gz DADYNYQEXRHLCJ-UHFFFAOYSA-N 2 0 351.494 3.417 20 0 FGADRP CCC[N@H+](CC)C[C@@H](C)NC(=O)N1CCC[NH+](Cc2ccccc2)CC1 ZINC000576932731 505627512 /nfs/dbraw/zinc/62/75/12/505627512.db2.gz UEGHZFIUCVFVRT-LJQANCHMSA-N 2 0 360.546 3.024 20 0 FGADRP CC1CC[NH+]([C@H](CNC(=O)c2ccccc2CC[NH3+])c2ccccc2)CC1 ZINC000568153317 505629130 /nfs/dbraw/zinc/62/91/30/505629130.db2.gz AHOVFAXXSQXUFO-JOCHJYFZSA-N 2 0 365.521 3.391 20 0 FGADRP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+][C@H]1CCN(Cc2ccccc2)C2(CC2)C1 ZINC000579836225 505629937 /nfs/dbraw/zinc/62/99/37/505629937.db2.gz FUGLWPBKPYPYCM-VXKWHMMOSA-N 3 0 371.569 3.010 20 0 FGADRP C[C@H](C[NH2+]CCN1CC[N@H+](C)C(C)(C)C1)c1ccc(C(F)(F)F)cc1 ZINC000577145426 505672490 /nfs/dbraw/zinc/67/24/90/505672490.db2.gz CRDGWYZHUTYJNR-OAHLLOKOSA-N 2 0 357.464 3.425 20 0 FGADRP O[C@H](COc1cccc2ccccc21)C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000047972318 493768236 /nfs/dbraw/zinc/76/82/36/493768236.db2.gz PSZNMJLXQVIXAW-NRFANRHFSA-N 2 0 368.521 3.387 20 0 FGADRP Cc1cccc([C@H](C)[NH+]2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)c1 ZINC000075751378 493775319 /nfs/dbraw/zinc/77/53/19/493775319.db2.gz HVEXVSIIOCJMSW-SFHVURJKSA-N 2 0 359.558 3.472 20 0 FGADRP Cc1cc(-n2ccnc2)ccc1C[NH+]1CCN(c2cncc(F)c2)CC1 ZINC000580120513 505680645 /nfs/dbraw/zinc/68/06/45/505680645.db2.gz BSCIFTNJXGYREF-UHFFFAOYSA-N 2 0 351.429 3.037 20 0 FGADRP CCOC(=O)C1([C@H](C)[NH2+][C@H](C)c2ccccc2OC(C)C)CC[NH2+]CC1 ZINC000568381581 505680651 /nfs/dbraw/zinc/68/06/51/505680651.db2.gz RANBQLFCHZHKNP-SJORKVTESA-N 2 0 362.514 3.446 20 0 FGADRP CC(C)[NH+]1CCC(C(=O)NC2CC[NH+]([C@H](C)c3ccccc3)CC2)CC1 ZINC000081045659 493819911 /nfs/dbraw/zinc/81/99/11/493819911.db2.gz YIGBPVIMPNDSAU-GOSISDBHSA-N 2 0 357.542 3.449 20 0 FGADRP CC(C)[N@H+](C)CC(=O)NCCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000068484760 493828134 /nfs/dbraw/zinc/82/81/34/493828134.db2.gz YULSPDMJQCBOHO-UHFFFAOYSA-N 2 0 359.558 3.178 20 0 FGADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)NCC[NH+]1CCC(C)CC1 ZINC000048828860 493848493 /nfs/dbraw/zinc/84/84/93/493848493.db2.gz ZSPCTTYEFIZBBV-UHFFFAOYSA-N 2 0 360.546 3.058 20 0 FGADRP C[NH+](C)Cc1ccc(C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)cc1 ZINC000069181269 493933495 /nfs/dbraw/zinc/93/34/95/493933495.db2.gz ANTQJAHXZHOCRT-GOSISDBHSA-N 2 0 357.523 3.377 20 0 FGADRP c1ccc2cc(OCC[NH+]3CCC(C[NH+]4CCOCC4)CC3)ccc2c1 ZINC000051957232 493994614 /nfs/dbraw/zinc/99/46/14/493994614.db2.gz RSEXBIHNKDWJJC-UHFFFAOYSA-N 2 0 354.494 3.263 20 0 FGADRP OCC[C@H]1CCCC[N@@H+]1Cc1ccc(C[NH+]2CCCC[C@H]2CCO)cc1 ZINC000070950147 494073737 /nfs/dbraw/zinc/07/37/37/494073737.db2.gz GAAMHSIVOXEZCN-SZPZYZBQSA-N 2 0 360.542 3.160 20 0 FGADRP Cc1cn2cc(NC(=O)[C@@H]3C[NH2+]C[C@H]3c3ccc(Cl)cc3)ccc2n1 ZINC000571295249 505700803 /nfs/dbraw/zinc/70/08/03/505700803.db2.gz SURGCSZLUKDLEF-DLBZAZTESA-N 2 0 354.841 3.238 20 0 FGADRP CC[NH+](CC)CCOc1ccccc1NC(=O)N1CC[C@@H]2CC[C@H](C1)[N@@H+]2C ZINC000072504359 494187247 /nfs/dbraw/zinc/18/72/47/494187247.db2.gz DNMJADRBDOPPPI-ZWKOTPCHSA-N 2 0 374.529 3.108 20 0 FGADRP CC[NH+](CC)Cc1ccc(C(=O)NCC[N@H+](C)Cc2ccccc2)cc1 ZINC000054265453 494213510 /nfs/dbraw/zinc/21/35/10/494213510.db2.gz CFZXPXFNAFLZKD-UHFFFAOYSA-N 2 0 353.510 3.390 20 0 FGADRP C[C@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@H+](C)CCc1cccs1 ZINC000072800717 494252940 /nfs/dbraw/zinc/25/29/40/494252940.db2.gz POYXEELIBIHNPG-IEBWSBKVSA-N 2 0 371.550 3.002 20 0 FGADRP C[N@@H+]1CCN(CC[NH2+]Cc2cnc(C3CCCCC3)s2)CC1(C)C ZINC000568498281 505710162 /nfs/dbraw/zinc/71/01/62/505710162.db2.gz NAQZGCFPSPWFKD-UHFFFAOYSA-N 2 0 350.576 3.306 20 0 FGADRP C[C@@H]([NH2+]CC1CCN(c2cc[nH+]cc2)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000089215226 494274242 /nfs/dbraw/zinc/27/42/42/494274242.db2.gz YJMDFFBSIWGOOT-MRXNPFEDSA-N 2 0 373.522 3.052 20 0 FGADRP CC(C)[C@@H](CNC(=O)NC1CC[NH+](C(C)C)CC1)[NH+]1CCCCCC1 ZINC000043168146 494274296 /nfs/dbraw/zinc/27/42/96/494274296.db2.gz RDBCSBCLVPBNSS-LJQANCHMSA-N 2 0 352.567 3.059 20 0 FGADRP CCC[NH+]1CCC(N(C)C(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)CC1 ZINC000066173621 494282739 /nfs/dbraw/zinc/28/27/39/494282739.db2.gz HEFHQSNKRPALHP-NRFANRHFSA-N 2 0 372.557 3.339 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)[C@H](c1ccccc1)[N@@H+](C)CC)c1ccco1 ZINC000078402375 494292691 /nfs/dbraw/zinc/29/26/91/494292691.db2.gz IORUFROOSNGEQZ-ICSRJNTNSA-N 2 0 357.498 3.472 20 0 FGADRP CC[N@H+](C)[C@@H](C(=O)NCC1CCN(c2cc[nH+]cc2)CC1)c1ccccc1 ZINC000089393719 494299151 /nfs/dbraw/zinc/29/91/51/494299151.db2.gz BPIXWNGBIQJNQR-OAQYLSRUSA-N 2 0 366.509 3.107 20 0 FGADRP [NH3+]C1(C[NH2+][C@H]2CCCC[C@@H](N3C(=O)c4ccccc4C3=O)C2)CCCCC1 ZINC000574188611 505715430 /nfs/dbraw/zinc/71/54/30/505715430.db2.gz RTUUKMIFTTXROM-DLBZAZTESA-N 2 0 369.509 3.235 20 0 FGADRP O=C(NCc1ccc(C[NH+]2CCCC2)cc1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000078954270 494383747 /nfs/dbraw/zinc/38/37/47/494383747.db2.gz MCDOWACWHNKNTM-NRFANRHFSA-N 2 0 370.541 3.052 20 0 FGADRP CC[NH+]1CCC(CCNC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000073539132 494385854 /nfs/dbraw/zinc/38/58/54/494385854.db2.gz HMEIFLOBENWZCD-UHFFFAOYSA-N 2 0 372.557 3.204 20 0 FGADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)N[C@@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000073724277 494418953 /nfs/dbraw/zinc/41/89/53/494418953.db2.gz ZRSZVQWHNMKOMF-NHCUHLMSSA-N 2 0 372.557 3.024 20 0 FGADRP Cc1ccccc1C[C@@H](C)[NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000090038804 494432676 /nfs/dbraw/zinc/43/26/76/494432676.db2.gz UCKJGZCUEKJQJW-GOSISDBHSA-N 2 0 353.510 3.007 20 0 FGADRP C[NH+]1CCC(C(=O)NC[C@H]2CCC[N@H+](C)[C@@H]2c2cccc(Cl)c2)CC1 ZINC000073923428 494450282 /nfs/dbraw/zinc/45/02/82/494450282.db2.gz WPEGGXWABCHCID-IEBWSBKVSA-N 2 0 363.933 3.181 20 0 FGADRP CC(C)[NH+]1CCC(C(=O)N2CCC[N@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000073930634 494451006 /nfs/dbraw/zinc/45/10/06/494451006.db2.gz KWXPUHKMGWNVAQ-LJQANCHMSA-N 2 0 357.542 3.230 20 0 FGADRP C[C@H]1CCCC[N@@H+]1CCNC(=O)NC[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000067005503 494454128 /nfs/dbraw/zinc/45/41/28/494454128.db2.gz KGFIFYNUYCHIFG-FPOVZHCZSA-N 2 0 372.557 3.072 20 0 FGADRP C[NH+](C)CCOc1cccc(CNC(=O)Nc2cccc(C[NH+](C)C)c2)c1 ZINC000045814574 494465883 /nfs/dbraw/zinc/46/58/83/494465883.db2.gz XUWSEIVRFAPZDY-UHFFFAOYSA-N 2 0 370.497 3.010 20 0 FGADRP O=C(Nc1ccc(CC[NH+]2CCCCC2)cc1)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000079552570 494478984 /nfs/dbraw/zinc/47/89/84/494478984.db2.gz ABCUZSDPCPQOBT-NHCUHLMSSA-N 2 0 370.541 3.463 20 0 FGADRP C[NH+](C)CCC1CCN(C(=O)NCc2cccc(C[NH+]3CCCC3)c2)CC1 ZINC000079597545 494490575 /nfs/dbraw/zinc/49/05/75/494490575.db2.gz WGCDXWAYMSPMFS-UHFFFAOYSA-N 2 0 372.557 3.156 20 0 FGADRP C[C@@H](CNC(=O)NC1CC[NH+](Cc2ccccc2)CC1)C[NH+]1CCCCC1 ZINC000056343935 494490667 /nfs/dbraw/zinc/49/06/67/494490667.db2.gz CQMUBOZNIXMMMU-IBGZPJMESA-N 2 0 372.557 3.072 20 0 FGADRP CC(C)[N@H+](C)CC1CCN(C(=O)NCCCC[NH+]2CCC[C@@H](C)C2)CC1 ZINC000079613186 494493211 /nfs/dbraw/zinc/49/32/11/494493211.db2.gz MRMWWKHHEYPZHL-LJQANCHMSA-N 2 0 366.594 3.260 20 0 FGADRP FC(F)(F)COc1cccc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)c1 ZINC000056494564 494514888 /nfs/dbraw/zinc/51/48/88/494514888.db2.gz OPNADAMRRFHBCF-UHFFFAOYSA-N 2 0 372.431 3.172 20 0 FGADRP C[NH+](C)Cc1cccc(NC(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)c1 ZINC000056600972 494533315 /nfs/dbraw/zinc/53/33/15/494533315.db2.gz GOBBONPAVSDDKS-FQEVSTJZSA-N 2 0 354.498 3.043 20 0 FGADRP C[C@@H]1C[C@H](NC(=O)NCC[N@H+]2CCCC[C@H]2C)CC[NH+]1Cc1ccccc1 ZINC000079939147 494552063 /nfs/dbraw/zinc/55/20/63/494552063.db2.gz QQEYOFYHWJIZRU-SFHLNBCPSA-N 2 0 372.557 3.213 20 0 FGADRP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000079974943 494561663 /nfs/dbraw/zinc/56/16/63/494561663.db2.gz SDASQPKPESSXBF-SFHVURJKSA-N 2 0 360.546 3.058 20 0 FGADRP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N1CCC[NH+](Cc2ccccc2)CC1 ZINC000056786426 494562450 /nfs/dbraw/zinc/56/24/50/494562450.db2.gz SBNPLMSDPSUKCB-WOJBJXKFSA-N 2 0 372.557 3.024 20 0 FGADRP CC(C)[C@H]([NH2+]CCN1CC[NH+](Cc2ccccc2)CC1)c1cccnc1 ZINC000091265343 494576128 /nfs/dbraw/zinc/57/61/28/494576128.db2.gz PQRYASDOMQLIPA-QFIPXVFZSA-N 2 0 352.526 3.186 20 0 FGADRP CCC[NH+]1CCC(NC(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)CC1 ZINC000074710651 494579067 /nfs/dbraw/zinc/57/90/67/494579067.db2.gz LCLDBFAPGQGZOD-LJQANCHMSA-N 2 0 364.578 3.158 20 0 FGADRP C[NH+](C)[C@H](CNC(=O)NCCC[NH2+]C1CCCCC1)c1ccc(F)cc1 ZINC000056950376 494601551 /nfs/dbraw/zinc/60/15/51/494601551.db2.gz LRJNYHZQMSPPLU-LJQANCHMSA-N 2 0 364.509 3.040 20 0 FGADRP CC(C)[N@@H+]1CC[C@@H](CNC(=O)NCc2ccccc2C[NH+]2CCCCC2)C1 ZINC000067685625 494611212 /nfs/dbraw/zinc/61/12/12/494611212.db2.gz RLXCWQJFKRSKFT-IBGZPJMESA-N 2 0 372.557 3.202 20 0 FGADRP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000115789993 494623437 /nfs/dbraw/zinc/62/34/37/494623437.db2.gz JEOATQAVSNFVJP-IBGZPJMESA-N 2 0 372.557 3.156 20 0 FGADRP C[NH+](CCCNC(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1)C1CCCCC1 ZINC000074851422 494624247 /nfs/dbraw/zinc/62/42/47/494624247.db2.gz FUQCUPHQKPSJCP-IBGZPJMESA-N 2 0 364.578 3.014 20 0 FGADRP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)NC[C@H](C)C[NH+]1CCCCC1 ZINC000057041773 494628301 /nfs/dbraw/zinc/62/83/01/494628301.db2.gz BFHHBNQCQORUDK-IBGZPJMESA-N 2 0 374.573 3.448 20 0 FGADRP COc1cccc(C[C@H]([NH2+]CCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C2CC2)c1 ZINC000121185370 494636360 /nfs/dbraw/zinc/63/63/60/494636360.db2.gz XSAJZDIRZAMSAE-SVMVAKDDSA-N 2 0 360.542 3.495 20 0 FGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H](C)c2ccccc2OC(F)F)CC1 ZINC000121219182 494653565 /nfs/dbraw/zinc/65/35/65/494653565.db2.gz MBHMNCVURAIKCZ-HZPDHXFCSA-N 2 0 355.473 3.212 20 0 FGADRP CCCn1nc(C)c(C[NH+]2CCC(C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)c1C ZINC000092587035 494676952 /nfs/dbraw/zinc/67/69/52/494676952.db2.gz IYVOYYOERBFRLJ-IRXDYDNUSA-N 2 0 362.562 3.231 20 0 FGADRP C[C@@H]1C[NH+](CC2CC[NH+](Cc3cccc4c3OCCCO4)CC2)C[C@@H](C)O1 ZINC000092587018 494677326 /nfs/dbraw/zinc/67/73/26/494677326.db2.gz LDLMIVQQBQOYSJ-QZTJIDSGSA-N 2 0 374.525 3.169 20 0 FGADRP COc1ccc(C[NH+]2CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)cc1OC ZINC000092587379 494677369 /nfs/dbraw/zinc/67/73/69/494677369.db2.gz UBMPVBFAMULBRU-IAGOWNOFSA-N 2 0 362.514 3.025 20 0 FGADRP C[S@](=O)c1ccc(C[NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)cc1 ZINC000080344584 494681625 /nfs/dbraw/zinc/68/16/25/494681625.db2.gz QWIJNTSWFVHSNX-AREMUKBSSA-N 2 0 372.534 3.188 20 0 FGADRP C[C@H]1CCC[N@@H+]1C1CCN(C(=O)NCCCC[NH+]2CCC(C)CC2)CC1 ZINC000126299551 494700494 /nfs/dbraw/zinc/70/04/94/494700494.db2.gz HOHXADLIUFSUQS-IBGZPJMESA-N 2 0 364.578 3.157 20 0 FGADRP CC[NH+](CC)Cc1ccc(CNC(=O)NCC2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC000057280762 494703465 /nfs/dbraw/zinc/70/34/65/494703465.db2.gz PSIYJOCKJYVGDO-SEJPIABJSA-N 2 0 372.557 3.200 20 0 FGADRP [NH3+][C@@H]1C[C@H]([NH2+]C2CCN(C(=O)CCc3ccccc3)CC2)c2ccccc21 ZINC000577482090 505736809 /nfs/dbraw/zinc/73/68/09/505736809.db2.gz CQNQSEPPXGLZRO-YADHBBJMSA-N 2 0 363.505 3.345 20 0 FGADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)c2oc3ccccc3c2C[NH+](C)C)C1 ZINC000075329088 494732525 /nfs/dbraw/zinc/73/25/25/494732525.db2.gz CYGPJOUVRYKYMB-MRXNPFEDSA-N 2 0 357.498 3.298 20 0 FGADRP O=C(c1cccc(C[NH+]2CCCC2)c1)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000068132227 494772428 /nfs/dbraw/zinc/77/24/28/494772428.db2.gz LBIDUUYRSMFGNJ-OAQYLSRUSA-N 2 0 355.526 3.373 20 0 FGADRP Cc1cc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)ccc1-n1cncn1 ZINC000092066203 494773967 /nfs/dbraw/zinc/77/39/67/494773967.db2.gz KGRYZECIQAFZGB-WIYYLYMNSA-N 2 0 351.498 3.024 20 0 FGADRP CC[NH+]1CCC(CCNC(=O)NC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000075497399 494778040 /nfs/dbraw/zinc/77/80/40/494778040.db2.gz NHYXXJSSLWVAHV-UHFFFAOYSA-N 2 0 372.557 3.072 20 0 FGADRP C[N@H+]1[C@@H]2CCC[C@H]1CC(NC1CC[NH+](CCc3ccc(F)cc3)CC1)C2 ZINC000126583112 494795137 /nfs/dbraw/zinc/79/51/37/494795137.db2.gz JYNPNEPPXDTNJV-FRIKZZABSA-N 3 0 359.533 3.438 20 0 FGADRP CN(Cc1ccccc1)C(=O)C[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000121660591 494832849 /nfs/dbraw/zinc/83/28/49/494832849.db2.gz NYASDPDINMZQGK-UHFFFAOYSA-N 2 0 357.542 3.233 20 0 FGADRP C[N@@H+](Cc1ccc(-n2cncn2)cc1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000093336977 494872557 /nfs/dbraw/zinc/87/25/57/494872557.db2.gz COSUOWOBZIWHHM-OAQYLSRUSA-N 2 0 361.493 3.221 20 0 FGADRP C[C@@H](C(=O)Nc1cccc(C[NH+]2CCC(CO)CC2)c1)[NH+]1CCCCCC1 ZINC000126988036 494873994 /nfs/dbraw/zinc/87/39/94/494873994.db2.gz ZTDRYAMYZCBBDN-SFHVURJKSA-N 2 0 373.541 3.094 20 0 FGADRP C[NH+](C)Cc1ccc(CNC(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)cc1F ZINC000121872860 494879060 /nfs/dbraw/zinc/87/90/60/494879060.db2.gz HGXOKDUPDYCPJG-OAQYLSRUSA-N 2 0 369.484 3.168 20 0 FGADRP C[NH+](C)CCN1CCC([NH2+][C@H]2CCCc3ncc(C(F)(F)F)cc32)CC1 ZINC000132501620 494884440 /nfs/dbraw/zinc/88/44/40/494884440.db2.gz XGYVUVSAERXQGP-SFHVURJKSA-N 2 0 370.463 3.093 20 0 FGADRP C[NH+](C)CCCC1CCN(C(=O)c2cccc(C[NH+]3CCCC3)c2)CC1 ZINC000132594054 494897123 /nfs/dbraw/zinc/89/71/23/494897123.db2.gz KWZVHTVJGKGPJY-UHFFFAOYSA-N 2 0 357.542 3.476 20 0 FGADRP CC[NH+](CC)Cc1ccccc1C[NH2+][C@H](C)CS(=O)(=O)c1ccccc1 ZINC000122018217 494909959 /nfs/dbraw/zinc/90/99/59/494909959.db2.gz TWTYXKAWKSIJEU-GOSISDBHSA-N 2 0 374.550 3.480 20 0 FGADRP CC[NH+](CC)C[C@@H]1CCN(Cc2ccccc2N(C)C2CC[NH+](C)CC2)C1 ZINC000093693409 494913818 /nfs/dbraw/zinc/91/38/18/494913818.db2.gz JMDYYLOFEDDLHY-FQEVSTJZSA-N 2 0 372.601 3.381 20 0 FGADRP CN(C)[C@@H](C[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1)c1ccco1 ZINC000132718935 494914310 /nfs/dbraw/zinc/91/43/10/494914310.db2.gz MBWCAXCXVWIXLJ-NRFANRHFSA-N 2 0 370.541 3.203 20 0 FGADRP CCC[NH+]1CCN(c2ccccc2C[N@H+](C)CCc2nccs2)CC1 ZINC000093843899 494927515 /nfs/dbraw/zinc/92/75/15/494927515.db2.gz DDOAZHSONPCUCX-UHFFFAOYSA-N 2 0 358.555 3.350 20 0 FGADRP C[NH+](C)CC[C@H](NC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)C(C)(C)C ZINC000127369291 494934664 /nfs/dbraw/zinc/93/46/64/494934664.db2.gz LMJAKCSICAKDOB-QRQLOZEOSA-N 2 0 364.578 3.011 20 0 FGADRP Cc1nc(Cc2ccccc2)sc1[C@@H](C)[NH2+]C[C@H](C)N1CC[NH+](C)CC1 ZINC000127611858 494970038 /nfs/dbraw/zinc/97/00/38/494970038.db2.gz UCWLSLNKRBNZEV-DLBZAZTESA-N 2 0 372.582 3.329 20 0 FGADRP CCOc1c(C[NH2+]CC2(SC)CC[NH+](C)CC2)c(C)nn1CC(C)C ZINC000577564541 505752800 /nfs/dbraw/zinc/75/28/00/505752800.db2.gz LOXWSMLHMMVNQC-UHFFFAOYSA-N 2 0 368.591 3.163 20 0 FGADRP O=C(NCCCCC[NH+]1CCCCC1)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000110437659 494978982 /nfs/dbraw/zinc/97/89/82/494978982.db2.gz LYXMYAADWOJZFZ-OAQYLSRUSA-N 2 0 357.542 3.423 20 0 FGADRP Cc1nc(-c2ccccc2)sc1[C@H](C)[NH2+]C[C@@H](C)N1CC[NH+](C)CC1 ZINC000127689100 494981626 /nfs/dbraw/zinc/98/16/26/494981626.db2.gz SYKUAPICGJXIIC-CVEARBPZSA-N 2 0 358.555 3.405 20 0 FGADRP O=C(c1ccoc1)N1CCC([NH2+]C2CC[NH+](C3CCCCC3)CC2)CC1 ZINC000133216425 494986333 /nfs/dbraw/zinc/98/63/33/494986333.db2.gz YGRXCINJGJQSQB-UHFFFAOYSA-N 2 0 359.514 3.271 20 0 FGADRP CCC[NH+]1CCC(C[NH2+][C@H](C)c2ccc(S(C)(=O)=O)c(F)c2)CC1 ZINC000122728630 495022121 /nfs/dbraw/zinc/02/21/21/495022121.db2.gz OCJSKNMOBHIWPN-CQSZACIVSA-N 2 0 356.507 3.002 20 0 FGADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1cc2c(s1)CCCCC2 ZINC000098078253 495052094 /nfs/dbraw/zinc/05/20/94/495052094.db2.gz LHWJNFQKMXXPKT-UHFFFAOYSA-N 2 0 365.587 3.363 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)N(C)[C@H]1CC[N@H+](CC)C[C@H]1C)CC(C)C ZINC000128188153 495058009 /nfs/dbraw/zinc/05/80/09/495058009.db2.gz FBRQQOLRBNCJPM-QRVBRYPASA-N 2 0 354.583 3.115 20 0 FGADRP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000133768209 495059165 /nfs/dbraw/zinc/05/91/65/495059165.db2.gz IDZCLHCILXWDLT-NRFANRHFSA-N 2 0 372.557 3.060 20 0 FGADRP CC(C)(O)[C@H]1CCC[NH+]1Cc1cccc(C[N@H+]2CCC[C@@H]2C(C)(C)O)c1 ZINC000119137123 495101345 /nfs/dbraw/zinc/10/13/45/495101345.db2.gz FOVOMZPHHPUJDI-WOJBJXKFSA-N 2 0 360.542 3.157 20 0 FGADRP CC[NH+](CC)CCCNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000111793279 495111637 /nfs/dbraw/zinc/11/16/37/495111637.db2.gz ISFYFBNTYZUOKJ-SEJPIABJSA-N 2 0 372.557 3.213 20 0 FGADRP C[C@@H](NC(=O)[C@H](C)[NH+]1CCC(CCC[NH+](C)C)CC1)c1ccc(F)cc1 ZINC000123401817 495126923 /nfs/dbraw/zinc/12/69/23/495126923.db2.gz GMPBOLXWQCHJOS-SJORKVTESA-N 2 0 363.521 3.445 20 0 FGADRP C[C@H]1CCC[N@@H+]1C1CCN(C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)CC1 ZINC000128741171 495143364 /nfs/dbraw/zinc/14/33/64/495143364.db2.gz NMGXDTJEBAAMRC-WMZOPIPTSA-N 2 0 352.567 3.011 20 0 FGADRP O=C(NC1CC[NH+](C2CCCC2)CC1)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000128838424 495156748 /nfs/dbraw/zinc/15/67/48/495156748.db2.gz FQAWVKAQLGHLKE-DYESRHJHSA-N 2 0 374.573 3.052 20 0 FGADRP C[NH+]1CCC(CC[NH2+]CCS(=O)(=O)c2ccc(C(C)(C)C)cc2)CC1 ZINC000577622134 505766398 /nfs/dbraw/zinc/76/63/98/505766398.db2.gz WPHYSTYDZDQPQM-UHFFFAOYSA-N 2 0 366.571 3.079 20 0 FGADRP C[C@@H](NC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)C(C)(C)C[NH+](C)C ZINC000119612277 495201663 /nfs/dbraw/zinc/20/16/63/495201663.db2.gz FWNZFNOWQCLSRS-QGZVFWFLSA-N 2 0 360.546 3.058 20 0 FGADRP CC1(C)CCC[N@H+](CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)C1 ZINC000112701870 495226100 /nfs/dbraw/zinc/22/61/00/495226100.db2.gz GKIUSEZYCNULJM-UHFFFAOYSA-N 2 0 361.555 3.296 20 0 FGADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1ccc(NC(=O)c2cccnc2)cc1 ZINC000129426321 495244516 /nfs/dbraw/zinc/24/45/16/495244516.db2.gz CYKZQVNWYNXNJL-QINHECLXSA-N 2 0 352.482 3.152 20 0 FGADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)N2CCC([NH2+]C3CCCC3)CC2)C1 ZINC000129444128 495245466 /nfs/dbraw/zinc/24/54/66/495245466.db2.gz FWBKHHUYXAOXLU-GOSISDBHSA-N 2 0 364.578 3.205 20 0 FGADRP C[C@@H]1CCN(C(=O)c2oc3ccccc3c2C[NH+](C)C)C[C@@H]1n1ccnc1 ZINC000124290282 495263830 /nfs/dbraw/zinc/26/38/30/495263830.db2.gz HCSXYLNAXGBGSW-QAPCUYQASA-N 2 0 366.465 3.414 20 0 FGADRP CN(C)CC[NH+]1CCC(C[NH2+][C@@H]2CCCOc3c(Cl)cccc32)CC1 ZINC000124365191 495276095 /nfs/dbraw/zinc/27/60/95/495276095.db2.gz WEHBQKHBMWGVJV-LJQANCHMSA-N 2 0 365.949 3.417 20 0 FGADRP C[NH+](C)CC1CCC(NC(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2)CC1 ZINC000119992467 495284583 /nfs/dbraw/zinc/28/45/83/495284583.db2.gz ZLKAVEMAVLLHJK-XVAXZDLZSA-N 2 0 357.542 3.278 20 0 FGADRP COc1ccc(OCc2nc(C[NH2+]CC3CC[NH+](C)CC3)cs2)cc1 ZINC000113336329 495297567 /nfs/dbraw/zinc/29/75/67/495297567.db2.gz ADPKKXXFQAMDQW-UHFFFAOYSA-N 2 0 361.511 3.162 20 0 FGADRP CCCC[N@H+](C)CCNC(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000113622096 495322052 /nfs/dbraw/zinc/32/20/52/495322052.db2.gz QYJAKZSHQKXMHK-UHFFFAOYSA-N 2 0 360.546 3.024 20 0 FGADRP COc1cc([C@H](C)[NH2+][C@@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)ccn1 ZINC000568778393 505775433 /nfs/dbraw/zinc/77/54/33/505775433.db2.gz DQRRXHAPFIGTEW-HOTGVXAUSA-N 2 0 372.488 3.393 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)NC[C@@H]1CCC[N@H+](CC)C1)c1ccsc1 ZINC000105123955 495339245 /nfs/dbraw/zinc/33/92/45/495339245.db2.gz LRTPQVLKSMFAMO-WMZOPIPTSA-N 2 0 366.575 3.162 20 0 FGADRP CCC[NH+]1CCC(N(C)CC(C)C[N@H+](C)C2CC[NH+](CCC)CC2)CC1 ZINC000124767399 495340300 /nfs/dbraw/zinc/34/03/00/495340300.db2.gz VGOJBPAQISQOOF-UHFFFAOYSA-N 3 0 366.638 3.235 20 0 FGADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000105276428 495351845 /nfs/dbraw/zinc/35/18/45/495351845.db2.gz LMFCTLLGPOSNMW-NRFANRHFSA-N 2 0 374.573 3.400 20 0 FGADRP Cc1ccc(C[N@@H+](CC(=O)NC2CC[NH+](C(C)C)CC2)C(C)C)s1 ZINC000114455667 495376391 /nfs/dbraw/zinc/37/63/91/495376391.db2.gz BYZYHNGSNOZYDN-UHFFFAOYSA-N 2 0 351.560 3.256 20 0 FGADRP C[C@H]([NH2+]CCC1CC[NH+](C)CC1)c1ccc(OCc2nccn2C)cc1 ZINC000125335563 495427614 /nfs/dbraw/zinc/42/76/14/495427614.db2.gz WOUJUZNDWMFOPO-KRWDZBQOSA-N 2 0 356.514 3.382 20 0 FGADRP C[NH+](C)CCC1CCN(C(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000114834426 495433945 /nfs/dbraw/zinc/43/39/45/495433945.db2.gz LPFSORAUIUUCEY-OAQYLSRUSA-N 2 0 372.557 3.024 20 0 FGADRP CC(C)[C@@H](C(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)[NH+](C)C ZINC000106427310 495455221 /nfs/dbraw/zinc/45/52/21/495455221.db2.gz QMBWBDXSFNGTEM-SFHVURJKSA-N 2 0 351.922 3.007 20 0 FGADRP C[C@H]1CCC[N@@H+]1C1CCN(C(=O)[C@@H]2CCC[NH+](Cc3ccccc3)C2)CC1 ZINC000125529572 495458665 /nfs/dbraw/zinc/45/86/65/495458665.db2.gz QHWFPTDXXZUERU-PZJWPPBQSA-N 2 0 369.553 3.374 20 0 FGADRP CC(C)[C@@H](C(=O)NC[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)[NH+](C)C ZINC000125563121 495463029 /nfs/dbraw/zinc/46/30/29/495463029.db2.gz HIJTWXBPTMBIEE-FHLIZLRMSA-N 2 0 369.912 3.174 20 0 FGADRP CC(C)[C@@H](CNC(=O)N1CCCC[C@H]1c1ncc[nH]1)[NH+]1CCC(C)CC1 ZINC000106529717 495463434 /nfs/dbraw/zinc/46/34/34/495463434.db2.gz RNJRYKZSPUNVDH-ZWKOTPCHSA-N 2 0 361.534 3.403 20 0 FGADRP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)C1 ZINC000106531981 495464195 /nfs/dbraw/zinc/46/41/95/495464195.db2.gz DEFYACLYQBVQNZ-GUDVDZBRSA-N 2 0 364.578 3.061 20 0 FGADRP CC(C)(C)[C@H](C[N@@H+]1CCc2ccccc2C1)NC(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000577749330 505784920 /nfs/dbraw/zinc/78/49/20/505784920.db2.gz YDBKTVYSVCZGAI-SXLOBPIMSA-N 2 0 357.542 3.093 20 0 FGADRP C[NH+](C)CCNC(=O)c1cccc(C[NH2+][C@H]2CC[C@H](c3ccccc3)C2)c1 ZINC000131119297 495494679 /nfs/dbraw/zinc/49/46/79/495494679.db2.gz NKPNYJPQVVAQCX-UNMCSNQZSA-N 2 0 365.521 3.404 20 0 FGADRP C[C@H](C[NH2+][C@@H](C)c1nc(-c2ccccc2)cs1)CN1CC[NH+](C)CC1 ZINC000121048285 495511688 /nfs/dbraw/zinc/51/16/88/495511688.db2.gz NXCMJBFBVSZSDI-SJORKVTESA-N 2 0 358.555 3.344 20 0 FGADRP CC[N@H+](CCNC(=O)N(C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1)C1CC1 ZINC000158544689 495534913 /nfs/dbraw/zinc/53/49/13/495534913.db2.gz HZVIITUKNYLBMS-NQIIRXRSSA-N 2 0 372.557 3.165 20 0 FGADRP CCCC[NH+]1CCC(NC(=O)N(CC[NH+](C)C)Cc2ccccc2)CC1 ZINC000158594296 495545330 /nfs/dbraw/zinc/54/53/30/495545330.db2.gz CYBIOIVQUDFWQN-UHFFFAOYSA-N 2 0 360.546 3.024 20 0 FGADRP C[C@@H]1C[NH+](CCC2CC[NH+](CCC(=O)c3ccccc3)CC2)C[C@@H](C)O1 ZINC000182413723 495553775 /nfs/dbraw/zinc/55/37/75/495553775.db2.gz DJAARKVFUZILIN-RTBURBONSA-N 2 0 358.526 3.471 20 0 FGADRP C[C@H]([NH2+]CCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1ccc(NS(C)(=O)=O)cc1 ZINC000158658744 495560719 /nfs/dbraw/zinc/56/07/19/495560719.db2.gz NDKSUOAMZLCBDZ-ZACQAIPSSA-N 2 0 367.559 3.077 20 0 FGADRP C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]CCC[NH+]1CCCC1 ZINC000170682918 495563334 /nfs/dbraw/zinc/56/33/34/495563334.db2.gz CIIQUUQRJVEPDJ-CQSZACIVSA-N 2 0 357.420 3.498 20 0 FGADRP CC[NH+]1CCN(CCC[NH2+][C@H](C)[C@H](C)c2nc3ccccc3s2)CC1 ZINC000154275498 495564856 /nfs/dbraw/zinc/56/48/56/495564856.db2.gz WEPWYLMPTMBDRG-DLBZAZTESA-N 2 0 360.571 3.406 20 0 FGADRP C[C@H](NC(=O)NCc1cccc(C[NH+](C)C)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182444062 495565521 /nfs/dbraw/zinc/56/55/21/495565521.db2.gz DDOJEGUDKUBSNE-PXNSSMCTSA-N 2 0 372.557 3.200 20 0 FGADRP C[N@@H+]1CCC[C@@H]2C[NH+](CCc3nc(-c4ccc(Cl)cc4)no3)CC[C@@H]21 ZINC000158741723 495578992 /nfs/dbraw/zinc/57/89/92/495578992.db2.gz DYOUAWCECVXPMO-WBVHZDCISA-N 2 0 360.889 3.349 20 0 FGADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000173540218 495581025 /nfs/dbraw/zinc/58/10/25/495581025.db2.gz FUQSRWAIVHCCAV-NRFANRHFSA-N 2 0 372.557 3.156 20 0 FGADRP Cc1cc(C)cc(OCCC[NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)c1 ZINC000182582604 495624835 /nfs/dbraw/zinc/62/48/35/495624835.db2.gz CKDZPBYKQYNXKW-CBQGHPETSA-N 2 0 371.569 3.315 20 0 FGADRP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)C[C@@H](O)COc3ccccc3)C2)s1 ZINC000568853093 505793441 /nfs/dbraw/zinc/79/34/41/505793441.db2.gz XIBYGXCTMGQMAC-RBUKOAKNSA-N 2 0 374.550 3.250 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](C[C@H](O)COCc2ccco2)CC1 ZINC000158963264 495625985 /nfs/dbraw/zinc/62/59/85/495625985.db2.gz HGQZOIDVSCZPMR-QUCCMNQESA-N 2 0 364.530 3.134 20 0 FGADRP Cc1nn(C)c2sc([C@H](C)[NH2+]Cc3ccncc3OCC[NH+](C)C)cc12 ZINC000577795321 505794515 /nfs/dbraw/zinc/79/45/15/505794515.db2.gz AQTICPRGLCSYFV-AWEZNQCLSA-N 2 0 373.526 3.129 20 0 FGADRP CC[C@@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)c1cccc(OC)c1 ZINC000159138450 495668391 /nfs/dbraw/zinc/66/83/91/495668391.db2.gz MYWKKWOUGDVONJ-HXUWFJFHSA-N 2 0 354.498 3.083 20 0 FGADRP C[C@H]([NH2+]CCCOc1ccc2c(c1)OCO2)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185680605 495676890 /nfs/dbraw/zinc/67/68/90/495676890.db2.gz BVOAFKKAHKCWBR-DLBZAZTESA-N 2 0 360.498 3.427 20 0 FGADRP O=C(CC[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1)NC1CCCC1 ZINC000159247518 495692048 /nfs/dbraw/zinc/69/20/48/495692048.db2.gz YKUAJWRSYRZHDQ-IRLDBZIGSA-N 2 0 369.553 3.422 20 0 FGADRP C[C@H]1CCCC[N@@H+]1CCNC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000159272974 495698902 /nfs/dbraw/zinc/69/89/02/495698902.db2.gz JZFYOBDDOSSVAY-IBGZPJMESA-N 2 0 357.542 3.279 20 0 FGADRP CC[C@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1ccc(OC(F)F)cc1 ZINC000150992348 495704757 /nfs/dbraw/zinc/70/47/57/495704757.db2.gz HTXQLBUSAVROQE-SFHVURJKSA-N 2 0 355.473 3.355 20 0 FGADRP C[C@H]([NH2+]C[C@@H]1CN(c2ccccc2)C(=O)O1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185763128 495716183 /nfs/dbraw/zinc/71/61/83/495716183.db2.gz VUNNOWNNYDJCKI-ABSDTBQOSA-N 2 0 357.498 3.254 20 0 FGADRP CN(c1ccccc1C[NH2+]C[C@@H](CO)c1ccccc1)C1CC[NH+](C)CC1 ZINC000151087975 495733456 /nfs/dbraw/zinc/73/34/56/495733456.db2.gz ANRHFZPXNFEOGM-NRFANRHFSA-N 2 0 367.537 3.083 20 0 FGADRP C[C@@H](NC(=O)N(CC[NH+](C)C)C1CCCC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182898514 495747580 /nfs/dbraw/zinc/74/75/80/495747580.db2.gz SMGDDNOCEPQUEO-QZTJIDSGSA-N 2 0 364.578 3.155 20 0 FGADRP O=C(CC[NH2+]C[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)Nc1cccnc1 ZINC000574566951 505804395 /nfs/dbraw/zinc/80/43/95/505804395.db2.gz VROYIOJGPAUFRD-FQEVSTJZSA-N 2 0 366.509 3.302 20 0 FGADRP C[C@H]([NH2+]Cc1cccnc1-n1cccn1)c1cccc(OCC[NH+](C)C)c1 ZINC000151448981 495843142 /nfs/dbraw/zinc/84/31/42/495843142.db2.gz IHIDXCCWCYLGAN-KRWDZBQOSA-N 2 0 365.481 3.059 20 0 FGADRP C[NH+](C)C1CCN(CC[NH2+]Cc2ccc(-c3c(F)cccc3F)o2)CC1 ZINC000176989495 495873737 /nfs/dbraw/zinc/87/37/37/495873737.db2.gz BFKVOTSHCXIEOC-UHFFFAOYSA-N 2 0 363.452 3.340 20 0 FGADRP Cc1ccc2c(c1)[C@@H]([NH2+]Cc1ccnc(N3CC[NH+](C)CC3)c1)[C@@H](C)C2 ZINC000180138741 495875097 /nfs/dbraw/zinc/87/50/97/495875097.db2.gz HTOJBITWWCJNHW-JTSKRJEESA-N 2 0 350.510 3.165 20 0 FGADRP CC[C@H](C)[N@H+](C)CCNC(=O)N[C@@H]1c2ccccc2CC[C@@H]1n1ccnc1 ZINC000151619553 495896024 /nfs/dbraw/zinc/89/60/24/495896024.db2.gz BSMQMSLFXHTUAQ-FFZOFVMBSA-N 2 0 369.513 3.141 20 0 FGADRP C[C@@H]([NH2+]CCCN1CCC[C@@H]1C(=O)N(C)C)c1ccc(F)c(Cl)c1 ZINC000155327266 495920713 /nfs/dbraw/zinc/92/07/13/495920713.db2.gz OSLBIJXRMBITQG-CXAGYDPISA-N 2 0 355.885 3.072 20 0 FGADRP c1ccc(C[NH+]2CCC(NCC3([NH+]4CCCCC4)CCOCC3)CC2)cc1 ZINC000174379951 495934775 /nfs/dbraw/zinc/93/47/75/495934775.db2.gz KKQHWKFCTNNZHV-UHFFFAOYSA-N 2 0 371.569 3.276 20 0 FGADRP CC(=O)N1CCC([NH2+]Cc2ccccc2C[N@H+](C)Cc2ccco2)CC1 ZINC000174450484 495964137 /nfs/dbraw/zinc/96/41/37/495964137.db2.gz CHZRCYDHFCZJCR-UHFFFAOYSA-N 2 0 355.482 3.012 20 0 FGADRP O=C1CCCCCN1CCC[NH2+]C1CCN(Cc2cccc(F)c2)CC1 ZINC000155477230 495969161 /nfs/dbraw/zinc/96/91/61/495969161.db2.gz JORIHXMERZHHFO-UHFFFAOYSA-N 2 0 361.505 3.172 20 0 FGADRP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+]2C[C@H](C)CC[C@@H]2C)CC1 ZINC000174468524 495973755 /nfs/dbraw/zinc/97/37/55/495973755.db2.gz KZASVHWUGLJGDY-MJGOQNOKSA-N 2 0 357.542 3.196 20 0 FGADRP C[C@@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1ccc(Br)cc1 ZINC000177206717 495976925 /nfs/dbraw/zinc/97/69/25/495976925.db2.gz UJACSLLHTSUDBD-CQSZACIVSA-N 2 0 354.336 3.126 20 0 FGADRP CCn1cc([C@@H](C)[NH2+]CCc2ccc(OCC[NH+]3CCCC3)cc2)cn1 ZINC000183494083 496007883 /nfs/dbraw/zinc/00/78/83/496007883.db2.gz SEIMEITZFSQXKW-GOSISDBHSA-N 2 0 356.514 3.271 20 0 FGADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H]2CCCOc3c(Cl)cccc32)CC1 ZINC000155600678 496009208 /nfs/dbraw/zinc/00/92/08/496009208.db2.gz DCFJHTIRBJIYOA-CRAIPNDOSA-N 2 0 351.922 3.169 20 0 FGADRP Cn1ccnc1[C@@H](NC(=O)c1cccc(C[NH+](C)C)c1)c1cccc(F)c1 ZINC000155647281 496024498 /nfs/dbraw/zinc/02/44/98/496024498.db2.gz IZDMUIZHKLXMNO-IBGZPJMESA-N 2 0 366.440 3.140 20 0 FGADRP C[C@@H]([NH2+][C@@H](C)CCN1CC[NH+](C)CC1)c1ccc(Br)cc1 ZINC000186583796 496056351 /nfs/dbraw/zinc/05/63/51/496056351.db2.gz LIXOJHJBLYOAOU-LSDHHAIUSA-N 2 0 354.336 3.126 20 0 FGADRP Cc1cccc(N2CC[NH+](CCCC[NH2+]Cc3cnn(C(C)C)c3)CC2)c1 ZINC000171840080 496058720 /nfs/dbraw/zinc/05/87/20/496058720.db2.gz SEJYCENOIQSYDD-UHFFFAOYSA-N 2 0 369.557 3.464 20 0 FGADRP CC[C@@H]([NH2+][C@H](C)CCN1CC[NH+](C)CC1)c1ccccc1OC(F)F ZINC000186587843 496059761 /nfs/dbraw/zinc/05/97/61/496059761.db2.gz AFZCMKQIBNBPTB-NVXWUHKLSA-N 2 0 355.473 3.355 20 0 FGADRP Cc1ccc(OC(F)F)c([C@@H](C)[NH2+][C@@H](C)CCN2CC[NH+](C)CC2)c1 ZINC000186592588 496061933 /nfs/dbraw/zinc/06/19/33/496061933.db2.gz AXRVABMUAGLIIR-JKSUJKDBSA-N 2 0 355.473 3.273 20 0 FGADRP Cc1ncsc1CC[NH+]1CCC(CC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000177484495 496080691 /nfs/dbraw/zinc/08/06/91/496080691.db2.gz WQDMEWOUKGIANK-HOTGVXAUSA-N 2 0 351.560 3.205 20 0 FGADRP C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)C[C@H]2CCCC[C@@H]2[NH3+])C1 ZINC000568979950 505823217 /nfs/dbraw/zinc/82/32/17/505823217.db2.gz QMDHAVMGLGNYET-OPYAIIAOSA-N 2 0 357.542 3.442 20 0 FGADRP CN(C)C(=O)[C@@H]([NH2+]CC1CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000172084697 496159297 /nfs/dbraw/zinc/15/92/97/496159297.db2.gz OGPPWAWQNREDMM-QFIPXVFZSA-N 2 0 365.521 3.318 20 0 FGADRP CC[N@H+](C)Cc1cccc(CNC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)c1 ZINC000177690402 496159979 /nfs/dbraw/zinc/15/99/79/496159979.db2.gz WVCRETSYXMAUCB-FQEVSTJZSA-N 2 0 357.542 3.409 20 0 FGADRP C[NH+](Cc1ccc(C[N@H+](C)CC2CCOCC2)cc1)CC1CCOCC1 ZINC000156158818 496173010 /nfs/dbraw/zinc/17/30/10/496173010.db2.gz LHPGGPOTELAWSW-UHFFFAOYSA-N 2 0 360.542 3.403 20 0 FGADRP C[C@@H](CC[NH2+]C1CCN(C(=O)c2ccco2)CC1)[N@H+](C)Cc1ccccc1 ZINC000156231425 496193635 /nfs/dbraw/zinc/19/36/35/496193635.db2.gz OUUNELCYZNZSGC-SFHVURJKSA-N 2 0 369.509 3.384 20 0 FGADRP CC(C)N1CCC[C@H]([NH2+]Cc2ccccc2C[NH+]2CCC(C)CC2)C1=O ZINC000174993261 496198963 /nfs/dbraw/zinc/19/89/63/496198963.db2.gz ZLHGTCRRLQKIOS-NRFANRHFSA-N 2 0 357.542 3.408 20 0 FGADRP CC(=O)NC1CCC([NH2+]C2[C@@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000161618742 496208656 /nfs/dbraw/zinc/20/86/56/496208656.db2.gz YBTWKRNSSIGEKG-AMZMEHNNSA-N 2 0 357.542 3.180 20 0 FGADRP C[C@H]1C[C@@H](NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)C[N@@H+]1Cc1ccccc1 ZINC000161629986 496210821 /nfs/dbraw/zinc/21/08/21/496210821.db2.gz WOALXMLFMNDIBY-FUHWJXTLSA-N 2 0 372.557 3.258 20 0 FGADRP C[NH+]1CCN(c2ccc(C[NH2+][C@H]3CC(C)(C)c4ccccc43)cn2)CC1 ZINC000177827371 496212854 /nfs/dbraw/zinc/21/28/54/496212854.db2.gz QEDBJMOUUGXNCG-FQEVSTJZSA-N 2 0 350.510 3.346 20 0 FGADRP C[NH+]1CCN(c2ccc(C[NH2+][C@H]3CCc4cc(Cl)ccc43)cn2)CC1 ZINC000177827714 496213094 /nfs/dbraw/zinc/21/30/94/496213094.db2.gz MAMOWIGQZYIUGK-IBGZPJMESA-N 2 0 356.901 3.264 20 0 FGADRP OC[C@@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+]CC1=Cc2ccccc2OC1 ZINC000180985589 496229754 /nfs/dbraw/zinc/22/97/54/496229754.db2.gz ZCUDCVUGTBEUBW-QFIPXVFZSA-N 2 0 364.489 3.209 20 0 FGADRP COc1ccc2oc(C[NH2+]Cc3ccccc3C[N@@H+]3CC[C@H](O)C3)cc2c1 ZINC000180993476 496233286 /nfs/dbraw/zinc/23/32/86/496233286.db2.gz HEVJJTNBTRUSLU-IBGZPJMESA-N 2 0 366.461 3.298 20 0 FGADRP CCNC(=O)c1cccc(C[NH2+][C@H](C)c2cccc(OCC[NH+](C)C)c2)c1 ZINC000177881761 496236334 /nfs/dbraw/zinc/23/63/34/496236334.db2.gz XCFUHBNPBYNEOV-QGZVFWFLSA-N 2 0 369.509 3.228 20 0 FGADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)N1CCC[C@H]1C[NH+]1CCCC1)c1ccccc1 ZINC000172269335 496236903 /nfs/dbraw/zinc/23/69/03/496236903.db2.gz BWMRYGWWJRFSDF-QUCCMNQESA-N 2 0 372.557 3.386 20 0 FGADRP O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000172506953 496321793 /nfs/dbraw/zinc/32/17/93/496321793.db2.gz IBJFMDRYWSBWKA-RBUKOAKNSA-N 2 0 374.529 3.076 20 0 FGADRP CC(C)[NH+]1CCC(NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000175303454 496330768 /nfs/dbraw/zinc/33/07/68/496330768.db2.gz VBGDDDSDUMFXMN-WIYYLYMNSA-N 2 0 372.557 3.212 20 0 FGADRP C[NH+]1CCN(CCC[NH2+]C2CCN(c3ccc(C(C)(C)C)cc3)CC2)CC1 ZINC000162506299 496364730 /nfs/dbraw/zinc/36/47/30/496364730.db2.gz RUGOLKPCJODLPH-UHFFFAOYSA-N 2 0 372.601 3.180 20 0 FGADRP C[NH+]1CCN(CCC[NH2+][C@H]2CCCSc3ccc(Cl)cc32)CC1 ZINC000162542693 496371004 /nfs/dbraw/zinc/37/10/04/496371004.db2.gz MVRQQEAVFMGUSP-KRWDZBQOSA-N 2 0 353.963 3.494 20 0 FGADRP CC(C)[NH+]1CCN(c2ccc(C(=O)Nc3ccc([C@H](C)[NH3+])cc3)cc2)CC1 ZINC000178261295 496391459 /nfs/dbraw/zinc/39/14/59/496391459.db2.gz WMQBGPADZHDBHX-KRWDZBQOSA-N 2 0 366.509 3.489 20 0 FGADRP C[N@H+](CCC[NH2+]C1CCN(Cc2cccnc2)CC1)Cc1ccccc1 ZINC000162772574 496410750 /nfs/dbraw/zinc/41/07/50/496410750.db2.gz OFUZACSFOBTQQE-UHFFFAOYSA-N 2 0 352.526 3.158 20 0 FGADRP C[C@H](OC[C@H](O)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1)c1ccc(Cl)cc1 ZINC000162820381 496417924 /nfs/dbraw/zinc/41/79/24/496417924.db2.gz MEJMZKUHMRWOGG-JQERWDHBSA-N 2 0 366.933 3.195 20 0 FGADRP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000184556812 496438755 /nfs/dbraw/zinc/43/87/55/496438755.db2.gz ZTWKWGPDMBPQMV-NRFANRHFSA-N 2 0 372.557 3.069 20 0 FGADRP CC[NH+](CC)CCCNC(=O)C1CC[NH+](Cc2ccc(F)cc2C)CC1 ZINC000181558002 496445649 /nfs/dbraw/zinc/44/56/49/496445649.db2.gz ZFLQMOUQPGELLU-UHFFFAOYSA-N 2 0 363.521 3.194 20 0 FGADRP CCO[C@@H]1C[C@H]([NH2+]Cc2cccnc2N2CC[NH+](C)CC2)C12CCCCC2 ZINC000181592009 496459822 /nfs/dbraw/zinc/45/98/22/496459822.db2.gz ZJOUAJKPTFNFQG-VQTJNVASSA-N 2 0 372.557 3.051 20 0 FGADRP C[C@@H](C(=O)N1CCSc2ccccc21)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157392695 496469642 /nfs/dbraw/zinc/46/96/42/496469642.db2.gz ZKKZKAVLXSACLU-ROUUACIJSA-N 2 0 373.566 3.464 20 0 FGADRP C[NH+]1CCC(N(Cc2ccccc2)C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000175630811 496474048 /nfs/dbraw/zinc/47/40/48/496474048.db2.gz KBVYHNYITUYBBH-UHFFFAOYSA-N 2 0 372.557 3.168 20 0 FGADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)CC(=O)Nc2cccc(Br)c2)C1 ZINC000163219431 496483459 /nfs/dbraw/zinc/48/34/59/496483459.db2.gz NCVOCKZDCSRQAS-UONOGXRCSA-N 2 0 368.319 3.098 20 0 FGADRP CC[NH+](CC)Cc1cccc(CNC(=O)NC[C@H]2CC[N@H+](CC(C)C)C2)c1 ZINC000157525080 496495129 /nfs/dbraw/zinc/49/51/29/496495129.db2.gz AMSGLPGLBQORCK-OAQYLSRUSA-N 2 0 374.573 3.306 20 0 FGADRP C[NH+](C)[C@@H]1CCc2cc(NC(=O)NC[C@@H]3[NH2+]CCc4ccccc43)ccc21 ZINC000569083640 505848107 /nfs/dbraw/zinc/84/81/07/505848107.db2.gz HBVXJKWCMKQYTO-LEWJYISDSA-N 2 0 364.493 3.244 20 0 FGADRP CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)C12CCC2 ZINC000181707652 496511383 /nfs/dbraw/zinc/51/13/83/496511383.db2.gz JVPCDIOHDOFWLP-NHCUHLMSSA-N 2 0 358.526 3.081 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1c(C)cc(C)cc1C ZINC000157628388 496518332 /nfs/dbraw/zinc/51/83/32/496518332.db2.gz KBPQNAKBWKUUOZ-IBGZPJMESA-N 2 0 360.546 3.492 20 0 FGADRP CC(C)C[C@H]([NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1)c1ccccn1 ZINC000163495196 496522547 /nfs/dbraw/zinc/52/25/47/496522547.db2.gz HPGQUBBLOWINQM-FQEVSTJZSA-N 2 0 374.573 3.385 20 0 FGADRP C[N@@H+]1CCC[C@H](CNC(=O)NC[C@H]([NH3+])c2ccccc2)[C@H]1c1cccs1 ZINC000569085751 505849197 /nfs/dbraw/zinc/84/91/97/505849197.db2.gz UJWREMVDHCDCEB-AOIWGVFYSA-N 2 0 372.538 3.130 20 0 FGADRP CCC[NH+]1CCC(CNC(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000157753039 496545220 /nfs/dbraw/zinc/54/52/20/496545220.db2.gz FEBMNNPVJWWING-SFHVURJKSA-N 2 0 352.567 3.062 20 0 FGADRP COc1ccc2c(c1)[C@@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)CCCS2 ZINC000187750568 496556412 /nfs/dbraw/zinc/55/64/12/496556412.db2.gz LKCYBOLYAFQALF-IBGZPJMESA-N 2 0 363.571 3.238 20 0 FGADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H]2CCCSc3ccc(OC)cc32)CC1 ZINC000187770638 496564899 /nfs/dbraw/zinc/56/48/99/496564899.db2.gz YLSASIPPLAKKQR-VQIMIIECSA-N 2 0 363.571 3.238 20 0 FGADRP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000157912557 496582985 /nfs/dbraw/zinc/58/29/85/496582985.db2.gz TYJXLLRORKNTAO-SJORKVTESA-N 2 0 352.544 3.253 20 0 FGADRP CC1(C(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)CC[NH+](Cc2ccccc2)CC1 ZINC000578066036 505853427 /nfs/dbraw/zinc/85/34/27/505853427.db2.gz BTRLDLKSQZEMCR-OAQYLSRUSA-N 2 0 369.553 3.279 20 0 FGADRP C[NH+](C)[C@@H](CNC(=O)C[N@H+](C)[C@@H]1CCc2ccccc21)c1ccccc1 ZINC000184942421 496594631 /nfs/dbraw/zinc/59/46/31/496594631.db2.gz ONKVZQHUFNCKCV-RTWAWAEBSA-N 2 0 351.494 3.025 20 0 FGADRP CC(C)OCC[NH+]1CCC(NC2CC[NH+](C3CCCCC3)CC2)CC1 ZINC000157958062 496595128 /nfs/dbraw/zinc/59/51/28/496595128.db2.gz JPIFBGOHBWBQRL-UHFFFAOYSA-N 3 0 351.579 3.263 20 0 FGADRP CC(=O)Nc1ccc([C@@H](C)[NH2+]Cc2cccc(OCC[NH+](C)C)c2)cc1 ZINC000181960454 496613915 /nfs/dbraw/zinc/61/39/15/496613915.db2.gz VKVUNIZREPQPIK-MRXNPFEDSA-N 2 0 355.482 3.436 20 0 FGADRP C[C@@H]([NH2+][C@@H](C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000182054121 496652227 /nfs/dbraw/zinc/65/22/27/496652227.db2.gz XVGIDGCSTIRONA-LQWHRVPQSA-N 2 0 351.494 3.116 20 0 FGADRP CC(C)[N@@H+](C)C[C@H](C)NC(=O)NCC[C@H]1C[C@@H](C)[NH+](Cc2ccccc2)C1 ZINC000571967974 505857917 /nfs/dbraw/zinc/85/79/17/505857917.db2.gz QLDYKGDXKBDXKH-ZVDOUQERSA-N 2 0 374.573 3.315 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc(NC(C)=O)cc2)[C@H](C)C1 ZINC000182082650 496662893 /nfs/dbraw/zinc/66/28/93/496662893.db2.gz RBTGVCJTVDZCBB-WWMYMODYSA-N 2 0 361.530 3.433 20 0 FGADRP CC(=O)Nc1ccc([C@@H](C)[NH2+]CC2(N3CCCCC3)CC[NH+](C)CC2)cc1 ZINC000182101256 496670222 /nfs/dbraw/zinc/67/02/22/496670222.db2.gz HHSXXUIHFWEWCM-GOSISDBHSA-N 2 0 372.557 3.246 20 0 FGADRP CSCC[C@H]([NH3+])C(=O)NCc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000165885383 496672021 /nfs/dbraw/zinc/67/20/21/496672021.db2.gz OMVXPZGKKGMLGW-IBGZPJMESA-N 2 0 363.571 3.148 20 0 FGADRP C[C@@H](O)C[C@H]1CCC[N@@H+]1Cc1ccc(C[NH+]2CCC[C@H]2C[C@@H](C)O)cc1 ZINC000179092931 496672347 /nfs/dbraw/zinc/67/23/47/496672347.db2.gz GDQRNDUHTJCVHH-YHBROIRLSA-N 2 0 360.542 3.157 20 0 FGADRP COc1ccc(Cl)cc1C1(C[NH2+][C@H]2CC[N@H+](C)C[C@@H]2C)CCOCC1 ZINC000154074954 496675129 /nfs/dbraw/zinc/67/51/29/496675129.db2.gz ABDMHSDFPPGOFG-YJBOKZPZSA-N 2 0 366.933 3.327 20 0 FGADRP CCN1CC[NH+](CCCC[NH2+][C@@H](C[C@H]2CCOC2)c2ccccc2)CC1 ZINC000166147474 496678154 /nfs/dbraw/zinc/67/81/54/496678154.db2.gz NLBFGUNKTLZAHL-IRLDBZIGSA-N 2 0 359.558 3.162 20 0 FGADRP CC[C@@H](C)[N@H+](C)CCNC(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000176100968 496682944 /nfs/dbraw/zinc/68/29/44/496682944.db2.gz YURUXXHLPVLDOG-GOSISDBHSA-N 2 0 360.546 3.023 20 0 FGADRP C[N@@H+]1CC[C@@H](NC(=O)NCCCCC[NH+]2CCCCC2)[C@@H]1c1ccccc1 ZINC000179158143 496696875 /nfs/dbraw/zinc/69/68/75/496696875.db2.gz PDFBQKLNRGBOAU-RTWAWAEBSA-N 2 0 372.557 3.387 20 0 FGADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H](O)COc2ccccc2C(F)(F)F)[C@H](C)C1 ZINC000182186715 496701659 /nfs/dbraw/zinc/70/16/59/496701659.db2.gz OSSYWKASULIJAE-VYDXJSESSA-N 2 0 374.447 3.107 20 0 FGADRP C[C@H](CC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)C1CC[NH2+]CC1 ZINC000167546604 496702973 /nfs/dbraw/zinc/70/29/73/496702973.db2.gz BQUKQVOTBIUDBL-LVCYWYKZSA-N 2 0 357.542 3.182 20 0 FGADRP [NH3+]C[C@@H]1C[N@H+](Cc2ccccc2Oc2cccnc2)CC12CCOCC2 ZINC000574814217 505861107 /nfs/dbraw/zinc/86/11/07/505861107.db2.gz DOHQUENGZLDFSV-GOSISDBHSA-N 2 0 353.466 3.061 20 0 FGADRP C[C@H](C(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]([NH3+])c1ccccc1 ZINC000168706732 496712237 /nfs/dbraw/zinc/71/22/37/496712237.db2.gz ZVZSKLIPLNJNEK-RCZSKKKRSA-N 2 0 365.521 3.303 20 0 FGADRP CC(=O)Nc1cccc([C@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CC[C@H](O)C2)c1 ZINC000182274104 496724811 /nfs/dbraw/zinc/72/48/11/496724811.db2.gz SQRCCZXJMJQQMV-AOMKIAJQSA-N 2 0 367.493 3.062 20 0 FGADRP O[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]Cc2ccc(OCC3CC3)cc2)CC1 ZINC000191357619 496737010 /nfs/dbraw/zinc/73/70/10/496737010.db2.gz YAJOTFGOHSRSRH-FGZHOGPDSA-N 2 0 358.526 3.333 20 0 FGADRP Cc1nccnc1[C@@H](C)[NH2+]CCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000188303070 496746991 /nfs/dbraw/zinc/74/69/91/496746991.db2.gz RMHQLWSWKKKGQC-QGZVFWFLSA-N 2 0 354.498 3.153 20 0 FGADRP C[C@H]([NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1)c1cccc(O)c1 ZINC000194925820 496762026 /nfs/dbraw/zinc/76/20/26/496762026.db2.gz JNXAGLSVMZSFOK-KRWDZBQOSA-N 2 0 367.493 3.069 20 0 FGADRP CC[NH+](CC)Cc1ccc(NC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)cc1 ZINC000188375482 496768829 /nfs/dbraw/zinc/76/88/29/496768829.db2.gz SDSXCZMVDOZKIL-HXUWFJFHSA-N 2 0 359.514 3.110 20 0 FGADRP CCOc1ccc([C@@H](CC)[NH2+]CCCN2CC[NH+](C)CC2)cc1OCC ZINC000268753794 496775007 /nfs/dbraw/zinc/77/50/07/496775007.db2.gz WEDPSERACFHZPE-LJQANCHMSA-N 2 0 363.546 3.162 20 0 FGADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CCC[C@@H]2c2cccc3c2OCCO3)CC1 ZINC000191476195 496776052 /nfs/dbraw/zinc/77/60/52/496776052.db2.gz QOXAVSDVJBVKTQ-HXUWFJFHSA-N 2 0 373.541 3.011 20 0 FGADRP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000273342310 496778755 /nfs/dbraw/zinc/77/87/55/496778755.db2.gz AQIGHNXFCRKAFD-RXVVDRJESA-N 2 0 372.557 3.195 20 0 FGADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H](C)CS(=O)(=O)c1ccc(C)cc1 ZINC000273380742 496788887 /nfs/dbraw/zinc/78/88/87/496788887.db2.gz IBRCIZOCDJJWFR-ROUUACIJSA-N 2 0 354.560 3.257 20 0 FGADRP C[C@@H]([NH2+]CCCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1ccc(-n2cnnn2)cc1 ZINC000247190448 496802334 /nfs/dbraw/zinc/80/23/34/496802334.db2.gz VTEOPPWOOYDSEC-FGTMMUONSA-N 2 0 356.518 3.071 20 0 FGADRP CN1CCN(C)[C@H](C[NH2+][C@H]2CCCc3nc(-c4ccccc4)sc32)C1 ZINC000268866236 496809281 /nfs/dbraw/zinc/80/92/81/496809281.db2.gz FKVDZSCPRSBMTB-SJORKVTESA-N 2 0 356.539 3.023 20 0 FGADRP Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000268946373 496830960 /nfs/dbraw/zinc/83/09/60/496830960.db2.gz BEJVTJZGYOAWRX-ZDUSSCGKSA-N 2 0 363.502 3.365 20 0 FGADRP C[C@@H]([NH2+]C[C@H](CCO)c1ccccc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000268988772 496843519 /nfs/dbraw/zinc/84/35/19/496843519.db2.gz LWZDRVZLCLLJAQ-NQIIRXRSSA-N 2 0 356.510 3.444 20 0 FGADRP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)C1 ZINC000247368144 496845394 /nfs/dbraw/zinc/84/53/94/496845394.db2.gz OZGCEEPQXLMEGO-PZJWPPBQSA-N 2 0 372.557 3.101 20 0 FGADRP COc1ccc([C@@H](C[NH+]2CCCC2)NC(=O)C[C@@H]([NH3+])c2ccccc2)cc1 ZINC000578132851 505869655 /nfs/dbraw/zinc/86/96/55/505869655.db2.gz BABCDJKHJYYRAT-NHCUHLMSSA-N 2 0 367.493 3.038 20 0 FGADRP C[C@@H](CNC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)[NH+](C)C1CC1 ZINC000247398046 496850515 /nfs/dbraw/zinc/85/05/15/496850515.db2.gz QZOPIRSLSXOAMX-LQWHRVPQSA-N 2 0 372.557 3.164 20 0 FGADRP C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000269111488 496873186 /nfs/dbraw/zinc/87/31/86/496873186.db2.gz IYKUHFKQBFOMIB-RTWAWAEBSA-N 2 0 355.526 3.229 20 0 FGADRP Cc1ccc2c(c1)[C@H]([NH2+]C1C[C@H]3CC[C@@H](C1)N3CC(=O)N(C)C)CCC2 ZINC000572024443 505872141 /nfs/dbraw/zinc/87/21/41/505872141.db2.gz JYGNTAKOMDEZRG-SMLSOGCJSA-N 2 0 355.526 3.046 20 0 FGADRP C[NH+](C)CCc1ccc(NC(=O)c2ccc3c(ccn3CCC[NH3+])c2)cc1 ZINC000269260720 496907256 /nfs/dbraw/zinc/90/72/56/496907256.db2.gz VSVLAXAZLFJVNT-UHFFFAOYSA-N 2 0 364.493 3.347 20 0 FGADRP C[C@@H]([NH3+])C1CCN(C(=O)NCc2ccccc2C[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000580941376 505873340 /nfs/dbraw/zinc/87/33/40/505873340.db2.gz FMGZDZVAAYKUEU-ZWKOTPCHSA-N 2 0 372.557 3.187 20 0 FGADRP CCc1ccc([C@H](C)NCc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)o1 ZINC000247944325 496930500 /nfs/dbraw/zinc/93/05/00/496930500.db2.gz DIAYOJOJEGRFMR-QFBILLFUSA-N 2 0 369.509 3.390 20 0 FGADRP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)c1ccccc1OC(F)(F)F ZINC000247952611 496932741 /nfs/dbraw/zinc/93/27/41/496932741.db2.gz FDTIPNDLBLZBJC-CABCVRRESA-N 2 0 360.420 3.473 20 0 FGADRP C[C@H](C(=O)Nc1ccccc1OC(F)F)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000247960504 496933380 /nfs/dbraw/zinc/93/33/80/496933380.db2.gz GDOOZTSYRQKHEX-IJEWVQPXSA-N 2 0 367.440 3.031 20 0 FGADRP C[N@@H+]1CCC[C@@H]2C[NH+](C[C@@H](O)COc3cc(Cl)ccc3Cl)CC[C@H]21 ZINC000248039164 496946654 /nfs/dbraw/zinc/94/66/54/496946654.db2.gz SGXUIDXCGBKIAF-FRFSOERESA-N 2 0 373.324 3.149 20 0 FGADRP CC[NH+]1CCN(c2ccc(NC(=O)C[C@@H]([NH3+])c3ccccc3)c(C)c2)CC1 ZINC000269516802 496962898 /nfs/dbraw/zinc/96/28/98/496962898.db2.gz QNMQPFBRHRXJAI-HXUWFJFHSA-N 2 0 366.509 3.166 20 0 FGADRP Cc1nccn1-c1ccc([C@@H](C)[NH2+]CCCC[N@@H+]2CCC[C@H]2CO)cc1 ZINC000248156826 496965974 /nfs/dbraw/zinc/96/59/74/496965974.db2.gz RMHJQXSILGVMEI-UTKZUKDTSA-N 2 0 356.514 3.068 20 0 FGADRP C[C@@H](C[NH2+][C@H]1CCN(Cc2ccccn2)C[C@H]1C)N(C)Cc1ccccc1 ZINC000248201562 496973237 /nfs/dbraw/zinc/97/32/37/496973237.db2.gz YXHUZGOZXVVCOC-QTEQDKRBSA-N 2 0 366.553 3.402 20 0 FGADRP C[NH+](C)CCCC[NH2+]Cc1nc(-c2ccc(Br)cc2)c[nH]1 ZINC000264812711 496990244 /nfs/dbraw/zinc/99/02/44/496990244.db2.gz BXXCYLBLMZSKQF-UHFFFAOYSA-N 2 0 351.292 3.271 20 0 FGADRP C[C@H](NC(=O)NC[C@H](c1ccccc1)[NH+](C)C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248393255 496992559 /nfs/dbraw/zinc/99/25/59/496992559.db2.gz DSTWPSHZINTRRL-FBBABVLZSA-N 2 0 372.557 3.242 20 0 FGADRP C[C@@H]([NH3+])[C@@H](C)C(=O)NCCC[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000192122555 497002246 /nfs/dbraw/zinc/00/22/46/497002246.db2.gz IYVFNRPZEKXMST-RTBURBONSA-N 2 0 353.510 3.178 20 0 FGADRP C[N@@H+]1CCC[C@H]2C[NH+](CCOc3cc(F)cc(Br)c3)CC[C@@H]21 ZINC000189115060 497013236 /nfs/dbraw/zinc/01/32/36/497013236.db2.gz HWSSMOXJIPXPKE-GUYCJALGSA-N 2 0 371.294 3.383 20 0 FGADRP CC(=O)Nc1cccc([C@@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CC[C@@H](O)C2)c1 ZINC000248456965 497017465 /nfs/dbraw/zinc/01/74/65/497017465.db2.gz SQRCCZXJMJQQMV-OPAMFIHVSA-N 2 0 367.493 3.062 20 0 FGADRP CC(C)C[N@@H+]1CC[C@@H](C[NH2+]C[C@H](O)COc2ccccc2C(F)(F)F)C1 ZINC000569213746 505880272 /nfs/dbraw/zinc/88/02/72/505880272.db2.gz AYOXUFVFSYGOEH-HOTGVXAUSA-N 2 0 374.447 3.013 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)[C@@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)[C@@H](C)C1 ZINC000248735006 497092429 /nfs/dbraw/zinc/09/24/29/497092429.db2.gz KPOSKXDUMGEBTJ-DOPJRALCSA-N 2 0 367.896 3.247 20 0 FGADRP Cc1ccc2cc(C[NH2+]C3CC[NH+]([C@@H]4CCCC[C@H]4O)CC3)ccc2n1 ZINC000189386620 497102787 /nfs/dbraw/zinc/10/27/87/497102787.db2.gz MQUSRRXLNWGBDA-FGZHOGPDSA-N 2 0 353.510 3.401 20 0 FGADRP CC[N@H+](C)Cc1cccc(CNC(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)c1 ZINC000270360527 497110215 /nfs/dbraw/zinc/11/02/15/497110215.db2.gz RLKZQPCNTKKZNA-NRFANRHFSA-N 2 0 372.557 3.012 20 0 FGADRP Fc1ccc(CCN2CCC([NH2+]CC3CC[NH+](C4CC4)CC3)CC2)cc1 ZINC000278470068 497125089 /nfs/dbraw/zinc/12/50/89/497125089.db2.gz NPWDPPZMWQFJTG-UHFFFAOYSA-N 2 0 359.533 3.297 20 0 FGADRP [NH3+]Cc1ccc(C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)cc1 ZINC000248887551 497126742 /nfs/dbraw/zinc/12/67/42/497126742.db2.gz QVHXCOAZDLSQSL-FGZHOGPDSA-N 2 0 363.505 3.272 20 0 FGADRP CC(C)C[C@H]([NH3+])C(=O)NCCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000236681109 497131918 /nfs/dbraw/zinc/13/19/18/497131918.db2.gz OAJWPYYYGOATRE-NRFANRHFSA-N 2 0 359.558 3.211 20 0 FGADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@H](C)c1cc(Cl)c(N)c(Cl)c1 ZINC000274638597 497135374 /nfs/dbraw/zinc/13/53/74/497135374.db2.gz QMOWEQUIDHJNFT-CHWSQXEVSA-N 2 0 359.345 3.252 20 0 FGADRP C[N@@H+]1CCC[C@H](CNC(=O)[C@@](C)([NH3+])c2ccccc2)[C@H]1c1cccs1 ZINC000192537041 497143931 /nfs/dbraw/zinc/14/39/31/497143931.db2.gz XRKOHLGXBLCGHV-BPAFIMBUSA-N 2 0 357.523 3.121 20 0 FGADRP CCC([NH3+])(CC)CNC(=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000236791275 497146135 /nfs/dbraw/zinc/14/61/35/497146135.db2.gz ANQPZCJLAPSWDM-GOSISDBHSA-N 2 0 371.447 3.075 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)CC1CC[NH2+]CC1)c1ccccc1Cl ZINC000236820275 497151516 /nfs/dbraw/zinc/15/15/16/497151516.db2.gz ZCQIRNORKSBUET-SFHVURJKSA-N 2 0 351.922 3.229 20 0 FGADRP CCC[N@H+](CC)C[C@H](C)NC(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000574949076 505889243 /nfs/dbraw/zinc/88/92/43/505889243.db2.gz GQCANDHXEMNFBS-SFHVURJKSA-N 2 0 360.546 3.071 20 0 FGADRP COC[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H](C)C1)C1CCOCC1 ZINC000249169625 497177826 /nfs/dbraw/zinc/17/78/26/497177826.db2.gz APGJQGGMMYPFKC-PGRDOPGGSA-N 2 0 360.542 3.450 20 0 FGADRP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)C1CC[NH+](C2CC2)CC1 ZINC000192720910 497194940 /nfs/dbraw/zinc/19/49/40/497194940.db2.gz RAXOCTJDWHXZQP-ROUUACIJSA-N 2 0 369.553 3.134 20 0 FGADRP C[C@H]([NH2+]Cc1cccnc1-n1ccnc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274905871 497196054 /nfs/dbraw/zinc/19/60/54/497196054.db2.gz MDWWYBIXORAJJE-RXVVDRJESA-N 2 0 361.493 3.268 20 0 FGADRP COc1ccc(CC2CC[NH+](CCCN3CC[NH+](C(C)C)CC3)CC2)cc1 ZINC000192728665 497196756 /nfs/dbraw/zinc/19/67/56/497196756.db2.gz PGCGEZNVJGVUQR-UHFFFAOYSA-N 2 0 373.585 3.366 20 0 FGADRP O[C@@H]1CC[N@H+](Cc2ccccc2C[NH2+][C@H]2CCC[C@@H](C(F)(F)F)C2)C1 ZINC000249393338 497197123 /nfs/dbraw/zinc/19/71/23/497197123.db2.gz SCLRCRBVANOLMM-FGTMMUONSA-N 2 0 356.432 3.464 20 0 FGADRP C[NH+](C)CCOc1ccc(NC(=O)C[C@H]([NH3+])c2ccccc2)cc1Cl ZINC000237197212 497203269 /nfs/dbraw/zinc/20/32/69/497203269.db2.gz BHSQSBPNQXQTSQ-KRWDZBQOSA-N 2 0 361.873 3.309 20 0 FGADRP C[C@@H]([NH2+]Cc1cccc(-n2cncn2)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274961394 497206525 /nfs/dbraw/zinc/20/65/25/497206525.db2.gz WSGGYQVNTZRKAU-WIYYLYMNSA-N 2 0 361.493 3.268 20 0 FGADRP CN(C(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000237269005 497213384 /nfs/dbraw/zinc/21/33/84/497213384.db2.gz UEGFUGIRHZZXIB-OTYNDTSQSA-N 2 0 355.526 3.030 20 0 FGADRP COc1cc(C)c([C@H](C)[NH2+]CCCN2CC[NH+](C(C)C)CC2)cc1OC ZINC000192786407 497213906 /nfs/dbraw/zinc/21/39/06/497213906.db2.gz ZTKOROHVRXIAOF-SFHVURJKSA-N 2 0 363.546 3.079 20 0 FGADRP CC(C)[NH+]1CCN(CCC[NH2+][C@H](C)c2cccc(N3CCCC3)c2)CC1 ZINC000192790426 497215134 /nfs/dbraw/zinc/21/51/34/497215134.db2.gz FEYSQYPWBARGKD-HXUWFJFHSA-N 2 0 358.574 3.354 20 0 FGADRP C[C@H]([NH2+][C@H]1CC(=O)N(c2ccccc2)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000574963126 505892185 /nfs/dbraw/zinc/89/21/85/505892185.db2.gz ZXPMNIPBCRAIMU-TYPHKJRUSA-N 2 0 363.505 3.292 20 0 FGADRP C[C@@H](CC(=O)N1CC[N@H+](Cc2ccccc2)C(C)(C)C1)[C@@H]1CCC[NH2+]C1 ZINC000237365721 497226824 /nfs/dbraw/zinc/22/68/24/497226824.db2.gz ZMVYGXUBSUSSEE-AZUAARDMSA-N 2 0 357.542 3.135 20 0 FGADRP CN(CC1([NH+](C)C)CCC1)C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000189739622 497228312 /nfs/dbraw/zinc/22/83/12/497228312.db2.gz XMTUZTSFWCZRMN-UHFFFAOYSA-N 2 0 372.557 3.024 20 0 FGADRP C[C@@H](CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)[C@@H]1CCC[NH2+]C1 ZINC000237385989 497229905 /nfs/dbraw/zinc/22/99/05/497229905.db2.gz VUVZPHZVJQGVIF-FUHWJXTLSA-N 2 0 361.555 3.200 20 0 FGADRP C[C@H](C(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1)[C@@H]([NH3+])c1ccccc1 ZINC000237446338 497237569 /nfs/dbraw/zinc/23/75/69/497237569.db2.gz MVHPSMMACCUKDU-SQGPQFPESA-N 2 0 371.550 3.412 20 0 FGADRP c1csc(N2CCC([NH2+]C[C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)n1 ZINC000192935105 497251252 /nfs/dbraw/zinc/25/12/52/497251252.db2.gz BXQHCFAOAZDTMA-GOSISDBHSA-N 2 0 356.539 3.224 20 0 FGADRP C[C@H]([NH2+]C1(CNC(=O)[C@@H]2CC23CC[NH2+]CC3)CCCC1)c1ccccc1 ZINC000237534605 497252625 /nfs/dbraw/zinc/25/26/25/497252625.db2.gz FUJAPVIRUZETMW-HKUYNNGSSA-N 2 0 355.526 3.156 20 0 FGADRP C[C@H]1CCN(C(=O)C[C@@H]([NH3+])c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000237548640 497253816 /nfs/dbraw/zinc/25/38/16/497253816.db2.gz CZAVHICKYMDICK-GHTZIAJQSA-N 2 0 351.494 3.200 20 0 FGADRP C[C@@H]([NH2+]CCCN1CC[N@H+](C)C[C@H]1c1ccccc1)C1CCSCC1 ZINC000250090565 497260386 /nfs/dbraw/zinc/26/03/86/497260386.db2.gz QCXCALBGDMPHQR-NQIIRXRSSA-N 2 0 361.599 3.487 20 0 FGADRP C[C@@H](CC(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1)[C@H]1CCC[NH2+]C1 ZINC000237600151 497261285 /nfs/dbraw/zinc/26/12/85/497261285.db2.gz WDAHXUXCTGIKTC-GJZGRUSLSA-N 2 0 367.921 3.245 20 0 FGADRP C[C@H](CC(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1)C1CC[NH2+]CC1 ZINC000237600223 497261657 /nfs/dbraw/zinc/26/16/57/497261657.db2.gz HKAAOGSQNLHJSW-QZTJIDSGSA-N 2 0 357.542 3.354 20 0 FGADRP C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)[C@@H](C[NH3+])c2ccccc2)C1 ZINC000237671681 497274041 /nfs/dbraw/zinc/27/40/41/497274041.db2.gz JNOALMZWHSKYBZ-AVRDEDQJSA-N 2 0 365.521 3.277 20 0 FGADRP Cc1ccc(NC(=O)[C@H](C)[C@H]([NH3+])c2ccccc2)c(OCC[NH+](C)C)c1 ZINC000237718145 497281131 /nfs/dbraw/zinc/28/11/31/497281131.db2.gz GMTXIJLOBSLNIJ-UZLBHIALSA-N 2 0 355.482 3.210 20 0 FGADRP O=C([C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)N1CCC([NH2+]CC2CC2)CC1 ZINC000237753516 497287615 /nfs/dbraw/zinc/28/76/15/497287615.db2.gz WVKAOYFRBJDFLA-IBGZPJMESA-N 2 0 373.516 3.028 20 0 FGADRP [NH3+][C@@H](CC(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1)c1ccccc1 ZINC000237890630 497308336 /nfs/dbraw/zinc/30/83/36/497308336.db2.gz JMYVXIDRLQATOM-APWZRJJASA-N 2 0 357.523 3.166 20 0 FGADRP [NH3+][C@H](CCC(=O)NCCC[N@@H+]1CCc2ccccc2C1)c1ccccc1 ZINC000237918263 497313866 /nfs/dbraw/zinc/31/38/66/497313866.db2.gz GWQWTCASMSREDI-OAQYLSRUSA-N 2 0 351.494 3.031 20 0 FGADRP [NH3+][C@@H](CCC(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1)c1ccccc1 ZINC000237940975 497317420 /nfs/dbraw/zinc/31/74/20/497317420.db2.gz PJFXMQSYCUEBRX-IRLDBZIGSA-N 2 0 365.521 3.147 20 0 FGADRP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000279178390 497358918 /nfs/dbraw/zinc/35/89/18/497358918.db2.gz JYYHCQSKBXRGEJ-TYPHKJRUSA-N 2 0 357.542 3.087 20 0 FGADRP CC(C)[NH+]1CCC(NC(=O)CN2CC[C@H](C)[C@@H]2c2cccc(F)c2)CC1 ZINC000245411144 497391706 /nfs/dbraw/zinc/39/17/06/497391706.db2.gz VKAQBLLTDCQTRJ-HRAATJIYSA-N 2 0 361.505 3.198 20 0 FGADRP CC[C@H]1C[N@H+](CC(=O)NC2CC[NH+](C(C)C)CC2)CC[C@H]1c1ccccc1 ZINC000245408027 497391954 /nfs/dbraw/zinc/39/19/54/497391954.db2.gz FFUIKDPLJVZFBU-SIKLNZKXSA-N 2 0 371.569 3.491 20 0 FGADRP C[NH+]1CCC(O)(C[NH2+][C@@H]2CCCc3cc(SC(F)F)ccc32)CC1 ZINC000271665976 497413113 /nfs/dbraw/zinc/41/31/13/497413113.db2.gz FHUPEFMNJQMZOI-MRXNPFEDSA-N 2 0 356.482 3.425 20 0 FGADRP CC(C)(C)c1ccc(C[N@@H+]2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000261758315 497445575 /nfs/dbraw/zinc/44/55/75/497445575.db2.gz FQUKMYIFAUHTDG-ICSRJNTNSA-N 2 0 357.542 3.064 20 0 FGADRP Brc1cccc(N[C@H]2CCC[N@H+](CC3CC[NH2+]CC3)C2)c1 ZINC000261803615 497454352 /nfs/dbraw/zinc/45/43/52/497454352.db2.gz HDRFFDRICADAHM-KRWDZBQOSA-N 2 0 352.320 3.325 20 0 FGADRP CCN1CC[C@@H](NC(=O)C[N@H+](C)C(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245580062 497464271 /nfs/dbraw/zinc/46/42/71/497464271.db2.gz GSISTPGQCXZWNK-SJLPKXTDSA-N 2 0 355.885 3.071 20 0 FGADRP CC(C)(C)[NH+]1CCC(NC(=O)NCc2ccccc2C[NH+]2CCCC2)CC1 ZINC000193847990 497500555 /nfs/dbraw/zinc/50/05/55/497500555.db2.gz ABPKMZRDHGLYBY-UHFFFAOYSA-N 2 0 372.557 3.345 20 0 FGADRP c1cc(-c2nc3ccccc3s2)oc1C[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000262110219 497509287 /nfs/dbraw/zinc/50/92/87/497509287.db2.gz KISOCOBDBGDNGA-OAHLLOKOSA-N 2 0 368.506 3.036 20 0 FGADRP C[C@]1(c2ccccc2)CC[C@H]([NH+]2CCC(c3nnc4n3CCNC4)CC2)C1 ZINC000569340230 505911716 /nfs/dbraw/zinc/91/17/16/505911716.db2.gz COXGNGLKBBMFNL-UGKGYDQZSA-N 2 0 365.525 3.071 20 0 FGADRP CC(C)(CNC(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCCCC1 ZINC000193929511 497523172 /nfs/dbraw/zinc/52/31/72/497523172.db2.gz MUEMOBOMZWSZJJ-HXUWFJFHSA-N 2 0 372.557 3.072 20 0 FGADRP CC(C)[C@H](C[NH2+][C@H](C)c1cc(Br)cs1)N1CC[NH+](C)CC1 ZINC000193964336 497533978 /nfs/dbraw/zinc/53/39/78/497533978.db2.gz VBZRYPBZKNIIAE-HIFRSBDPSA-N 2 0 374.392 3.433 20 0 FGADRP C[C@@H]([NH2+]CCOCC(F)(F)C(F)F)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000276307508 497540548 /nfs/dbraw/zinc/54/05/48/497540548.db2.gz YCHANNRWTKALRP-ZBFHGGJFSA-N 2 0 362.411 3.404 20 0 FGADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CCC[C@@H]2c2nc3ccccc3n2C)CC1 ZINC000276305904 497541093 /nfs/dbraw/zinc/54/10/93/497541093.db2.gz KYSSMUDLATWSGF-OAQYLSRUSA-N 2 0 369.557 3.126 20 0 FGADRP CSc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H](Cc3nccn3C)C2)cc1 ZINC000245839240 497547645 /nfs/dbraw/zinc/54/76/45/497547645.db2.gz HNSHLVQRSJGSNW-HOTGVXAUSA-N 2 0 372.538 3.424 20 0 FGADRP C[NH+](C)CCCOc1ccc(C[NH2+][C@H]2[C@H]3CCO[C@H]3C23CCCC3)cc1 ZINC000194022393 497550401 /nfs/dbraw/zinc/55/04/01/497550401.db2.gz BFLHKYOSPHMASC-QHAWAJNXSA-N 2 0 358.526 3.454 20 0 FGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@H](C)c2cc(Br)cs2)CC1 ZINC000194025648 497551404 /nfs/dbraw/zinc/55/14/04/497551404.db2.gz ILCACSWHDJUCQQ-UONOGXRCSA-N 2 0 374.392 3.435 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)[C@H]3CC[NH2+][C@@H](C)C3)cc2)C1 ZINC000262467364 497561178 /nfs/dbraw/zinc/56/11/78/497561178.db2.gz WMVCSGDMOVKKFT-NYUBLWNDSA-N 2 0 357.542 3.169 20 0 FGADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCC[C@H]3C[NH+](C)CC[C@H]32)C1 ZINC000245901583 497564696 /nfs/dbraw/zinc/56/46/96/497564696.db2.gz DSOVUVYXQCGSSL-CEXWTWQISA-N 2 0 364.578 3.013 20 0 FGADRP C[C@H](C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1)[C@H]([NH3+])c1ccccc1 ZINC000262644758 497589885 /nfs/dbraw/zinc/58/98/85/497589885.db2.gz MYLHPDRKIKHPSZ-WMQCIHAUSA-N 2 0 351.494 3.276 20 0 FGADRP C[C@@H](C(=O)Nc1ccccc1NC1CC[NH+](C)CC1)[C@@H]([NH3+])c1ccccc1 ZINC000262644802 497590036 /nfs/dbraw/zinc/59/00/36/497590036.db2.gz NEKRLOBZYJXFNF-IIBYNOLFSA-N 2 0 366.509 3.467 20 0 FGADRP C[C@@H]1C[C@@H](N(C)C(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[N@@H+]1Cc1ccccc1 ZINC000262676513 497597996 /nfs/dbraw/zinc/59/79/96/497597996.db2.gz SOVBVZNYXKSMGC-NJVDNQLDSA-N 2 0 369.553 3.419 20 0 FGADRP CCO[C@@H]1C[C@@]([NH3+])(C(=O)Nc2ccc(C[NH+]3CCC(C)CC3)cc2)C1(C)C ZINC000262780959 497619801 /nfs/dbraw/zinc/61/98/01/497619801.db2.gz KXDQFBMPNXVSKQ-DENIHFKCSA-N 2 0 373.541 3.390 20 0 FGADRP CC[N@@H+]1CC[C@H]([NH2+]CCc2ccc(OCC[NH+]3CCCC3)cc2)[C@@H](C)C1 ZINC000246107619 497624530 /nfs/dbraw/zinc/62/45/30/497624530.db2.gz ZFRZBGXBWPISGO-UGKGYDQZSA-N 3 0 359.558 3.024 20 0 FGADRP C[N@@H+]1CC[C@H]([NH2+]Cc2cc3c(c(Br)c2)OCO3)[C@@H]2CCC[C@@H]21 ZINC000572229117 505920022 /nfs/dbraw/zinc/92/00/22/505920022.db2.gz CRBQSPWGPZENHZ-QEJZJMRPSA-N 2 0 367.287 3.140 20 0 FGADRP COc1ccc([C@@H](C)[NH2+]CC2(C)CC[NH+](C)CC2)cc1Cn1cccn1 ZINC000272511332 497648239 /nfs/dbraw/zinc/64/82/39/497648239.db2.gz GJZMYNJRVCYUQN-QGZVFWFLSA-N 2 0 356.514 3.323 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)NCc1ccc(C[NH3+])cc1)c1ccccc1 ZINC000578354813 505921533 /nfs/dbraw/zinc/92/15/33/505921533.db2.gz HHPJISDTUJNCDZ-HXUWFJFHSA-N 2 0 354.498 3.028 20 0 FGADRP C[C@H](NC(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000272565376 497664110 /nfs/dbraw/zinc/66/41/10/497664110.db2.gz SNNPKMUFTSHWDT-YXYSEUPNSA-N 2 0 372.557 3.021 20 0 FGADRP Brc1ccccc1N1CC[C@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000246230466 497669629 /nfs/dbraw/zinc/66/96/29/497669629.db2.gz MNLAGGJHHJFRON-JYJNAYRXSA-N 2 0 364.331 3.244 20 0 FGADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C[C@@H](O)COc1ccc(Cl)cc1Cl ZINC000246350721 497705254 /nfs/dbraw/zinc/70/52/54/497705254.db2.gz FZEYJJJAKZPSIQ-OWCLPIDISA-N 2 0 373.324 3.292 20 0 FGADRP CCCn1ccnc1CCCN(C)Cc1nc([C@H](C)OCC(C)C)no1 ZINC000277036028 497722782 /nfs/dbraw/zinc/72/27/82/497722782.db2.gz BMGCAUWQBJDKJE-INIZCTEOSA-N 2 0 363.506 3.474 20 0 FGADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH+]2Cc2ccccc2)C1 ZINC000246410235 497724578 /nfs/dbraw/zinc/72/45/78/497724578.db2.gz KWYAFTINXINSQT-NHCUHLMSSA-N 2 0 357.542 3.135 20 0 FGADRP CCOc1ccccc1NC(=O)CCN1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246429965 497731698 /nfs/dbraw/zinc/73/16/98/497731698.db2.gz CNVBOAPGLDNYMH-FXAWDEMLSA-N 2 0 371.525 3.363 20 0 FGADRP CC[NH+](CC)CCN(Cc1ccccc1)C(=O)C[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000263301543 497753437 /nfs/dbraw/zinc/75/34/37/497753437.db2.gz ZPJNTVGTBZQAOE-FPOVZHCZSA-N 2 0 359.558 3.383 20 0 FGADRP C[C@H](Cc1ccccc1C(F)(F)F)[NH2+][C@@H](C)CCN1CC[NH+](C)CC1 ZINC000280450943 497758106 /nfs/dbraw/zinc/75/81/06/497758106.db2.gz DJECXENQLQKOAE-JKSUJKDBSA-N 2 0 357.464 3.252 20 0 FGADRP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@H](C)[NH+](C)C1CC1 ZINC000246514665 497760303 /nfs/dbraw/zinc/76/03/03/497760303.db2.gz XEMWTYFLWUBNHA-ICSRJNTNSA-N 2 0 372.557 3.023 20 0 FGADRP CC[NH+]1CCC(C[NH2+][C@@H](C)CCCCN2C(=O)c3ccccc3C2=O)CC1 ZINC000575113381 505924066 /nfs/dbraw/zinc/92/40/66/505924066.db2.gz YCWAXVIKGYAFAJ-KRWDZBQOSA-N 2 0 371.525 3.163 20 0 FGADRP OC[C@@H]([NH2+]CCCCCC[NH2+][C@H](CO)c1ccccc1)c1ccccc1 ZINC000273125253 497801794 /nfs/dbraw/zinc/80/17/94/497801794.db2.gz QKDITWXLDCZZNC-FGZHOGPDSA-N 2 0 356.510 3.193 20 0 FGADRP CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)C12CCOCC2 ZINC000364234202 497852419 /nfs/dbraw/zinc/85/24/19/497852419.db2.gz BNYCVMHRYMSLMV-BURNTYAHSA-N 2 0 358.526 3.243 20 0 FGADRP Cc1noc(C2CCC([NH2+]CC3CCN(c4cc[nH+]cc4)CC3)CC2)n1 ZINC000292044723 497853536 /nfs/dbraw/zinc/85/35/36/497853536.db2.gz FMEXOHOFOCMGLQ-UHFFFAOYSA-N 2 0 355.486 3.305 20 0 FGADRP C[C@H](CCCC[NH3+])NC(=O)[C@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000292058433 497860327 /nfs/dbraw/zinc/86/03/27/497860327.db2.gz JXAGBKOJJRCGTM-QAPCUYQASA-N 2 0 371.447 3.075 20 0 FGADRP C[C@H]([NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1)c1ccc(F)c2ccccc21 ZINC000575214176 505943686 /nfs/dbraw/zinc/94/36/86/505943686.db2.gz YRMXVTAGDRVWOE-HNNXBMFYSA-N 2 0 369.484 3.373 20 0 FGADRP O[C@H]1CC[N@H+](Cc2ccccc2CNC2CC[NH+](C3CCCCC3)CC2)C1 ZINC000578462523 505945526 /nfs/dbraw/zinc/94/55/26/505945526.db2.gz PJJUUFARCUZQNX-QHCPKHFHSA-N 2 0 371.569 3.140 20 0 FGADRP C[NH+]1CCC(C)(C[NH2+][C@@H]2CCCN(C(=O)Oc3ccccc3)CC2)CC1 ZINC000284885175 497930816 /nfs/dbraw/zinc/93/08/16/497930816.db2.gz BOOXJRRYLHFSLP-GOSISDBHSA-N 2 0 359.514 3.361 20 0 FGADRP C[C@H]([NH2+][C@@H]1CCN(CCN2CCOCC2)C1)c1ccc(-c2ccccc2)o1 ZINC000364455142 497966524 /nfs/dbraw/zinc/96/65/24/497966524.db2.gz DVCAMMZFCDBGRB-AZUAARDMSA-N 2 0 369.509 3.004 20 0 FGADRP CC(C)[NH+]1CCN([C@H]2CC[N@H+](Cc3ccc(OCC4CC4)cc3)C2)CC1 ZINC000364471053 497973305 /nfs/dbraw/zinc/97/33/05/497973305.db2.gz FMIMHAWXDIQQCB-NRFANRHFSA-N 2 0 357.542 3.076 20 0 FGADRP CN(C)C1(C[NH2+]C2CCC([N@H+](C)Cc3ccccc3)CC2)CCOCC1 ZINC000281095075 498018080 /nfs/dbraw/zinc/01/80/80/498018080.db2.gz VMDKBFDICGMVMN-UHFFFAOYSA-N 2 0 359.558 3.130 20 0 FGADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+][C@@H]2CC(=O)N3CCCC[C@H]23)CC1 ZINC000575342950 505965050 /nfs/dbraw/zinc/96/50/50/505965050.db2.gz ZELCPNBDAYLUOR-TZWRJOPASA-N 2 0 355.526 3.173 20 0 FGADRP Cn1cc(CC[NH2+][C@@H]2CCCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)cn1 ZINC000581340094 505965221 /nfs/dbraw/zinc/96/52/21/505965221.db2.gz DOUBVKZKGPCQPH-YPAWHYETSA-N 2 0 352.526 3.243 20 0 FGADRP CC(C)O[C@@H](CN1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1)c1ccccc1 ZINC000292551743 498057255 /nfs/dbraw/zinc/05/72/55/498057255.db2.gz QXKUVTCCKQSCGR-VXKWHMMOSA-N 2 0 359.558 3.255 20 0 FGADRP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H]2CCCN(C(=O)Oc3ccccc3)CC2)C1 ZINC000289342333 498112666 /nfs/dbraw/zinc/11/26/66/498112666.db2.gz XCBIKTZSPBJKNV-RBUKOAKNSA-N 2 0 359.514 3.361 20 0 FGADRP CCOc1cc2[nH+]ccc(N3CC[C@H]([NH+]4CC=CC4)C3)c2cc1OCC ZINC000301471470 498124232 /nfs/dbraw/zinc/12/42/32/498124232.db2.gz TWDLUYOJMBLEGA-INIZCTEOSA-N 2 0 353.466 3.483 20 0 FGADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)N[C@@]2(C)CC[NH+](Cc3ccccc3)C2)C1 ZINC000578633188 505985496 /nfs/dbraw/zinc/98/54/96/505985496.db2.gz GBYQOEROLRMUSX-IRLDBZIGSA-N 2 0 372.557 3.071 20 0 FGADRP O[C@H](CNc1cc[nH+]c2cc(F)ccc12)C[N@@H+]1CCc2ccccc2C1 ZINC000301526824 498148046 /nfs/dbraw/zinc/14/80/46/498148046.db2.gz NRVGFKHNGPFTSD-GOSISDBHSA-N 2 0 351.425 3.205 20 0 FGADRP CC1CC[NH+](CCCNC(=O)c2ccccc2CC2CC[NH2+]CC2)CC1 ZINC000581431211 505987642 /nfs/dbraw/zinc/98/76/42/505987642.db2.gz ARMAFZOALROFFX-UHFFFAOYSA-N 2 0 357.542 3.081 20 0 FGADRP CC[NH+](CC)CCOc1ccc(C[NH2+]Cc2cnn(CC(F)F)c2)cc1 ZINC000292860485 498174254 /nfs/dbraw/zinc/17/42/54/498174254.db2.gz BFIPSCFVSBVDLC-UHFFFAOYSA-N 2 0 366.456 3.159 20 0 FGADRP Cc1ncc(CN2CC[C@H]([NH2+][C@H](C)C(=O)Nc3ccccc3)[C@@H](C)C2)s1 ZINC000364920124 498209737 /nfs/dbraw/zinc/20/97/37/498209737.db2.gz YLZUFCNCQJZDEM-KHYOSLBOSA-N 2 0 372.538 3.279 20 0 FGADRP COc1cc(CN2CC[C@H]3CC[N@H+](C)C[C@H]32)ccc1OCc1ccncc1 ZINC000359905198 498228893 /nfs/dbraw/zinc/22/88/93/498228893.db2.gz VEHPRQMHCNPWFH-WOJBJXKFSA-N 2 0 367.493 3.195 20 0 FGADRP COc1ccc(Cl)cc1NC(=O)CC[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000293031215 498241749 /nfs/dbraw/zinc/24/17/49/498241749.db2.gz ROWGTYUQFUZNHY-IBGZPJMESA-N 2 0 365.905 3.095 20 0 FGADRP C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+][C@@H](C)CCN1CC[NH+](C)CC1 ZINC000281739321 498252950 /nfs/dbraw/zinc/25/29/50/498252950.db2.gz VKDFXBRCCOFZOG-JKSUJKDBSA-N 2 0 357.464 3.252 20 0 FGADRP O[C@H](C[NH2+][C@@H]1CCCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)C1CCOCC1 ZINC000286028783 498271728 /nfs/dbraw/zinc/27/17/28/498271728.db2.gz JAOVTHJKGFQEEA-WBADGQHESA-N 2 0 372.553 3.054 20 0 FGADRP C[C@@H]1C[N@@H+](CCCC[NH2+][C@H]2CCC(=O)Nc3ccc(F)cc32)C[C@H](C)O1 ZINC000360696806 498298874 /nfs/dbraw/zinc/29/88/74/498298874.db2.gz FKJIFQMYQZATLC-DAYGRLMNSA-N 2 0 363.477 3.078 20 0 FGADRP COc1ccc(Br)cc1C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000578749219 506012091 /nfs/dbraw/zinc/01/20/91/506012091.db2.gz WNMMOWLLYRLOJJ-AWEZNQCLSA-N 2 0 353.304 3.279 20 0 FGADRP O=C(NCCC[NH+]1CCCC1)C1CC[NH+](Cc2sccc2Cl)CC1 ZINC000289802350 498300406 /nfs/dbraw/zinc/30/04/06/498300406.db2.gz MWISYRMEBIVHKJ-UHFFFAOYSA-N 2 0 369.962 3.216 20 0 FGADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2ccccc2CC2CC[NH2+]CC2)C1 ZINC000581551800 506013695 /nfs/dbraw/zinc/01/36/95/506013695.db2.gz ZUIZUJNXXWFMML-IBGZPJMESA-N 2 0 357.542 3.033 20 0 FGADRP Cc1cnc(NCCN2CCC([NH+](C)C)CC2)nc1-c1ccccc1F ZINC000293228301 498313503 /nfs/dbraw/zinc/31/35/03/498313503.db2.gz YOKFLNDEGASJEL-UHFFFAOYSA-N 2 0 357.477 3.029 20 0 FGADRP CC[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccc(C(=O)OC)cc1 ZINC000293248430 498320757 /nfs/dbraw/zinc/32/07/57/498320757.db2.gz BLIHVSUSWYHTDJ-JXFKEZNVSA-N 2 0 360.498 3.015 20 0 FGADRP c1ccc(C[N@H+]2CC[C@@H](N3CC[NH+](CCCC4CCOCC4)CC3)C2)cc1 ZINC000286200877 498322810 /nfs/dbraw/zinc/32/28/10/498322810.db2.gz XYFASAARHMUKSC-HSZRJFAPSA-N 2 0 371.569 3.085 20 0 FGADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N(C)[C@H](c1ncc[nH]1)c1ccccc1 ZINC000297131252 498327942 /nfs/dbraw/zinc/32/79/42/498327942.db2.gz HPNXXICCYKWJAB-AOIWGVFYSA-N 2 0 369.513 3.261 20 0 FGADRP C[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)c1nccc2ccccc21 ZINC000289861343 498328290 /nfs/dbraw/zinc/32/82/90/498328290.db2.gz ROOIDUKWMFHLRC-QGZVFWFLSA-N 2 0 361.493 3.232 20 0 FGADRP COC(=O)c1cc2c(o1)c(OC)ccc2C[NH2+]C[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000581575495 506018002 /nfs/dbraw/zinc/01/80/02/506018002.db2.gz RSRYLNPCGWGIOH-AWEZNQCLSA-N 2 0 360.454 3.048 20 0 FGADRP C[C@@H](NC(=O)[C@@H](C)[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)c1ccc2ccccc2c1 ZINC000569811164 506021847 /nfs/dbraw/zinc/02/18/47/506021847.db2.gz NUVDQCDXAHRXCR-ZYOFANERSA-N 2 0 365.521 3.337 20 0 FGADRP C[C@H]([NH2+]CC1CCN(c2cc[nH+]cc2)CC1)c1ccccc1-n1ccnn1 ZINC000286334120 498366253 /nfs/dbraw/zinc/36/62/53/498366253.db2.gz XZLBCMVQSKLAPY-KRWDZBQOSA-N 2 0 362.481 3.230 20 0 FGADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)NCc1ccc2c[nH+]cn2c1 ZINC000297297627 498395889 /nfs/dbraw/zinc/39/58/89/498395889.db2.gz DVYXEKWMYMYJLP-UHFFFAOYSA-N 2 0 365.481 3.174 20 0 FGADRP C[C@@H](Cc1c[nH]cn1)C(=O)Nc1ccnc(N2CCc3ccccc3C2)c1 ZINC000581617339 506029339 /nfs/dbraw/zinc/02/93/39/506029339.db2.gz PJNJCPGVVIJBDK-HNNXBMFYSA-N 2 0 361.449 3.185 20 0 FGADRP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)NCC[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000569846272 506029833 /nfs/dbraw/zinc/02/98/33/506029833.db2.gz HQDQXWGNNBYNQP-MOPGFXCFSA-N 2 0 372.557 3.243 20 0 FGADRP C[N@@H+]1CCC[C@@H](CNC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@H]1c1cccs1 ZINC000361720321 498422770 /nfs/dbraw/zinc/42/27/70/498422770.db2.gz XWDBPLWJUKMTAD-SUBGPWMZSA-N 2 0 361.555 3.168 20 0 FGADRP Cc1nc(CN2CCC(C[NH2+][C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)CC2)oc1C ZINC000578846614 506035303 /nfs/dbraw/zinc/03/53/03/506035303.db2.gz LFRDXAQXBVQXHA-VAMGGRTRSA-N 2 0 360.546 3.014 20 0 FGADRP CC(C)(C)[NH+]1CCC([NH2+]C[C@@H](O)COCc2ccccc2Cl)CC1 ZINC000578860257 506038779 /nfs/dbraw/zinc/03/87/79/506038779.db2.gz OTCMSMNNJFLCTC-QGZVFWFLSA-N 2 0 354.922 3.070 20 0 FGADRP COc1cc([C@@H](C)[NH2+]CCCCC[NH+]2CCCC2)ccc1S(C)(=O)=O ZINC000293755475 498477773 /nfs/dbraw/zinc/47/77/73/498477773.db2.gz QTBMFPBSYKHXJZ-MRXNPFEDSA-N 2 0 368.543 3.015 20 0 FGADRP CC1CC[NH+](C2CCC(NC(=O)NC[C@H]3[NH2+]CCCC3(C)C)CC2)CC1 ZINC000572738177 506041307 /nfs/dbraw/zinc/04/13/07/506041307.db2.gz HLTCPZWJGXSURM-CTWPCTMYSA-N 2 0 364.578 3.107 20 0 FGADRP CCc1cccc(OC[C@@H](O)C[NH2+]C2CC[NH+](C3CCCCC3)CC2)c1 ZINC000569920034 506047457 /nfs/dbraw/zinc/04/74/57/506047457.db2.gz CRHJIVHKSVYNFC-NRFANRHFSA-N 2 0 360.542 3.375 20 0 FGADRP CC(C)CC[NH+]1CCC(CNC(=O)N2CCC([NH+]3CCCC3)CC2)CC1 ZINC000362841179 498564401 /nfs/dbraw/zinc/56/44/01/498564401.db2.gz SZCWKYBXZVYTPS-UHFFFAOYSA-N 2 0 364.578 3.014 20 0 FGADRP C[NH+](C)Cc1cccc(NC(=O)N2CC[C@H]([N@H+](C)Cc3ccccc3)C2)c1 ZINC000365624729 498564584 /nfs/dbraw/zinc/56/45/84/498564584.db2.gz DYYOBONCVDOBJH-NRFANRHFSA-N 2 0 366.509 3.486 20 0 FGADRP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)C1CC[NH+](C2CC2)CC1 ZINC000282590168 498572541 /nfs/dbraw/zinc/57/25/41/498572541.db2.gz ALCKXIZHCXEBEJ-OAQYLSRUSA-N 2 0 369.553 3.278 20 0 FGADRP NC(=O)c1csc(C[N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)c1 ZINC000294088049 498584721 /nfs/dbraw/zinc/58/47/21/498584721.db2.gz ZLHLFALWWOUOQP-UHFFFAOYSA-N 2 0 369.534 3.335 20 0 FGADRP C[C@@H](Cc1ccc(O)cc1)[NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000294116318 498593803 /nfs/dbraw/zinc/59/38/03/498593803.db2.gz GFUQGSKBRXNFNL-KRWDZBQOSA-N 2 0 354.494 3.070 20 0 FGADRP Brc1cccc(-c2c[nH]c(C[NH2+]CC[C@H]3CCC[NH2+]C3)n2)c1 ZINC000572822286 506060500 /nfs/dbraw/zinc/06/05/00/506060500.db2.gz JBCBCIXDXSFUSV-CYBMUJFWSA-N 2 0 363.303 3.319 20 0 FGADRP C[C@@H]1CN(C(=O)Nc2ccccc2CC[NH+](C)C)CC[N@@H+](C2CCC2)C1 ZINC000297918414 498608876 /nfs/dbraw/zinc/60/88/76/498608876.db2.gz UOVAUTPGEBZXGJ-KRWDZBQOSA-N 2 0 358.530 3.129 20 0 FGADRP C[C@@H]1C[C@@H](NC(=O)N2CCC(C[NH+](C)C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000363041678 498618561 /nfs/dbraw/zinc/61/85/61/498618561.db2.gz WXZDEXRNSPRJIU-NQIIRXRSSA-N 2 0 372.557 3.023 20 0 FGADRP [NH3+][C@@H]1CCC[C@H](C[NH2+][C@H]2CCCC[C@H](N3C(=O)c4ccccc4C3=O)C2)C1 ZINC000572832875 506063421 /nfs/dbraw/zinc/06/34/21/506063421.db2.gz FRWJBCJWVPHLEV-MHORFTMASA-N 2 0 369.509 3.091 20 0 FGADRP CC(C)[C@H](C(=O)Nc1cccc(NC(=O)CC[NH+]2CCCCC2)c1)[C@@H](C)[NH3+] ZINC000572838674 506065076 /nfs/dbraw/zinc/06/50/76/506065076.db2.gz GWQSFNVIQMCLSP-UZLBHIALSA-N 2 0 374.529 3.059 20 0 FGADRP C[C@H]1CCC[C@@](CNC(=O)NCC(C)(C)[NH+]2CCCCC2)([NH+](C)C)C1 ZINC000303059341 498645144 /nfs/dbraw/zinc/64/51/44/498645144.db2.gz ZZSVTKYABDBXOL-FXAWDEMLSA-N 2 0 352.567 3.061 20 0 FGADRP [NH3+][C@H](CC(=O)NCC1CC[NH+](Cc2cccs2)CC1)Cc1ccccc1 ZINC000578984088 506067689 /nfs/dbraw/zinc/06/76/89/506067689.db2.gz FBVWWCCRFJKGBH-IBGZPJMESA-N 2 0 371.550 3.036 20 0 FGADRP COc1cc(C[NH2+]CCC2CC[NH+](C3CCN(C)CC3)CC2)ccc1C ZINC000365806683 498648730 /nfs/dbraw/zinc/64/87/30/498648730.db2.gz QMTSKQSEGBIEDJ-UHFFFAOYSA-N 2 0 359.558 3.290 20 0 FGADRP CC[C@H](Cn1cncn1)[NH2+]CC1(CC)CC[NH+](Cc2ccccc2)CC1 ZINC000576077655 506070787 /nfs/dbraw/zinc/07/07/87/506070787.db2.gz YOZALJYPKUABHA-HXUWFJFHSA-N 2 0 355.530 3.339 20 0 FGADRP c1nn(Cc2ccccc2)cc1C[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000570035760 506074587 /nfs/dbraw/zinc/07/45/87/506074587.db2.gz ROAIEBHAOIJJOY-FYYLOGMGSA-N 2 0 374.488 3.277 20 0 FGADRP CC(C)(C)OC(=O)N1CCC[C@H](C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000298278458 498719142 /nfs/dbraw/zinc/71/91/42/498719142.db2.gz GSAWPNRPGUNUAX-QGZVFWFLSA-N 2 0 374.529 3.287 20 0 FGADRP COC(=O)c1ccc(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)cc1 ZINC000312851486 498763321 /nfs/dbraw/zinc/76/33/21/498763321.db2.gz GHHKCDAJINKJOQ-FGZHOGPDSA-N 2 0 364.489 3.427 20 0 FGADRP c1csc(N2CCC([NH2+]Cc3ccc(C[NH+]4CCCC4)cc3)CC2)n1 ZINC000291037334 498767405 /nfs/dbraw/zinc/76/74/05/498767405.db2.gz FXCWEARRTSPGCH-UHFFFAOYSA-N 2 0 356.539 3.498 20 0 FGADRP CC(C)C[N@@H+]1CC[C@H](C[NH2+]C[C@H](O)CO[C@@H]2CCCc3ccccc32)C1 ZINC000576149330 506088118 /nfs/dbraw/zinc/08/81/18/506088118.db2.gz SZFMRPBTZBAQQI-KAGYGMCKSA-N 2 0 360.542 3.009 20 0 FGADRP C[C@H]([NH2+]C[C@H]1CCN(C(=O)c2ccccc2)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000283196869 498813206 /nfs/dbraw/zinc/81/32/06/498813206.db2.gz RCBNUKUCEYLADM-QKNQBKEWSA-N 2 0 369.553 3.391 20 0 FGADRP CC(C)[NH+]1CCN(CCC[NH2+][C@@H](C)c2ncc(-c3ccccc3)o2)CC1 ZINC000283199609 498815494 /nfs/dbraw/zinc/81/54/94/498815494.db2.gz GJESPZNERFSVQA-SFHVURJKSA-N 2 0 356.514 3.408 20 0 FGADRP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](CCOc3cccc4ccccc43)C2)CC1 ZINC000363451992 498829196 /nfs/dbraw/zinc/82/91/96/498829196.db2.gz ZJVDIEPLFGTGOB-OAQYLSRUSA-N 2 0 367.537 3.319 20 0 FGADRP C[NH+](C)[C@H](CNC(=O)N1CCC([NH+]2CCCCC2)CC1)c1ccsc1 ZINC000298643708 498836665 /nfs/dbraw/zinc/83/66/65/498836665.db2.gz DNCGSYMGHWLBPD-GOSISDBHSA-N 2 0 364.559 3.011 20 0 FGADRP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N2CCC(C[NH+](C)C)CC2)CC1 ZINC000363547135 498873555 /nfs/dbraw/zinc/87/35/55/498873555.db2.gz QTKOIRRPGUKLKI-GOSISDBHSA-N 2 0 372.557 3.195 20 0 FGADRP C[C@H]1CCC[C@@H]([NH+]2CCC([NH2+][C@H]3CCCO[C@@H]3c3cnn(C)c3)CC2)C1 ZINC000328623330 498878918 /nfs/dbraw/zinc/87/89/18/498878918.db2.gz BWPXGAVJMWBGGO-NASSWSRMSA-N 2 0 360.546 3.273 20 0 FGADRP O=C([C@@H]1CCCCC[NH2+]1)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000581944284 506096029 /nfs/dbraw/zinc/09/60/29/506096029.db2.gz BEMYCGZYFIXXSF-ACRUOGEOSA-N 2 0 355.526 3.032 20 0 FGADRP C[C@H]([NH+](C)Cc1cc(C[N@@H+](C)[C@@H](C)C(C)(C)O)ccc1F)C(C)(C)O ZINC000295091958 498906098 /nfs/dbraw/zinc/90/60/98/498906098.db2.gz FJTFAYAOTWRWNN-GJZGRUSLSA-N 2 0 354.510 3.008 20 0 FGADRP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N[C@H]1CCN(C)[C@H]1c1ccc(Cl)cc1 ZINC000579175852 506109671 /nfs/dbraw/zinc/10/96/71/506109671.db2.gz RDNRXVXFDDIIPH-JLSDUUJJSA-N 2 0 366.937 3.113 20 0 FGADRP [NH3+]C[C@H](NC(=O)N1CCC(c2c[nH]cn2)CC1)c1ccc2ccccc2c1 ZINC000570188369 506111044 /nfs/dbraw/zinc/11/10/44/506111044.db2.gz GPAAIVMDLDFGMY-IBGZPJMESA-N 2 0 363.465 3.152 20 0 FGADRP CC[NH+]1CCC(CNC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000579186956 506112620 /nfs/dbraw/zinc/11/26/20/506112620.db2.gz SIPAETYRUJBBDL-RXVVDRJESA-N 2 0 372.557 3.071 20 0 FGADRP CSc1ccc([C@@H](C)[NH2+][C@H]2CCN(C3CC[NH+](C)CC3)C2)cc1F ZINC000363782539 498989687 /nfs/dbraw/zinc/98/96/87/498989687.db2.gz IBKIIOIELOFVAQ-ZBFHGGJFSA-N 2 0 351.535 3.367 20 0 FGADRP Cc1nn(C)c(N2CCC[N@H+](C)CC2)c1C[NH2+][C@@H](C)c1ccc(C)c(C)c1 ZINC000363788512 498994310 /nfs/dbraw/zinc/99/43/10/498994310.db2.gz XOUPXEPMJJNGMU-SFHVURJKSA-N 2 0 369.557 3.338 20 0 FGADRP O=C(NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1ccc2c[nH+]cn2c1 ZINC000283859735 499001285 /nfs/dbraw/zinc/00/12/85/499001285.db2.gz IJCDRTHTHGVJPN-HNNXBMFYSA-N 2 0 354.479 3.038 20 0 FGADRP CCC(C)(CC)NC(=O)NCCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000363829347 499015295 /nfs/dbraw/zinc/01/52/95/499015295.db2.gz PQTSDSSXVLAKSM-UHFFFAOYSA-N 2 0 352.567 3.061 20 0 FGADRP C[C@@H]1CN(Cc2ccccn2)CC[C@H]1[NH2+]Cc1ccnn1-c1ccccc1 ZINC000363948797 499063400 /nfs/dbraw/zinc/06/34/00/499063400.db2.gz RSJSAKIXMLMVAW-XMSQKQJNSA-N 2 0 361.493 3.268 20 0 FGADRP C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cccc(S(C)(=O)=O)c1 ZINC000295673155 499077550 /nfs/dbraw/zinc/07/75/50/499077550.db2.gz KGRNAHATWCMLFJ-UTKZUKDTSA-N 2 0 372.534 3.090 20 0 FGADRP Clc1ccc(-c2nc(C[N@@H+]3CC4(CC[NH2+]CC4)[C@@H]4COC[C@@H]43)co2)cc1 ZINC000333843323 499086790 /nfs/dbraw/zinc/08/67/90/499086790.db2.gz LSBNJDYDTGKJJP-MSOLQXFVSA-N 2 0 373.884 3.195 20 0 FGADRP CC(C)[NH+]1CCN(CCC[N@@H+]2C[C@]3(C[C@@H]4CC[C@H]3C4)OC(C)(C)C2)CC1 ZINC000367049253 499139641 /nfs/dbraw/zinc/13/96/41/499139641.db2.gz DJGBFNHMFHCEHG-URVUXULASA-N 2 0 363.590 3.072 20 0 FGADRP Cc1c[nH+]ccc1N1CCC(C(=O)N[C@H](C[NH+](C)C)c2ccccc2)CC1 ZINC000369941286 499155020 /nfs/dbraw/zinc/15/50/20/499155020.db2.gz CVQPGOSFOFPHBZ-HXUWFJFHSA-N 2 0 366.509 3.026 20 0 FGADRP C[C@H]([NH2+][C@@H]1CCN(CCN2CCOCC2)C1)c1ccc(Cl)cc1Cl ZINC000372779997 499174112 /nfs/dbraw/zinc/17/41/12/499174112.db2.gz IZYVSBGWHKNZNQ-GOEBONIOSA-N 2 0 372.340 3.051 20 0 FGADRP CCCc1ccccc1NC(=O)N1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000367444312 499199684 /nfs/dbraw/zinc/19/96/84/499199684.db2.gz BMLVTETZDSOMMO-QGZVFWFLSA-N 2 0 358.530 3.271 20 0 FGADRP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(NC(=O)c3cccnc3)cc2)[C@@H]2CCC[C@@H]21 ZINC000367532556 499210001 /nfs/dbraw/zinc/21/00/01/499210001.db2.gz BOGIESDWKMGZTB-ACRUOGEOSA-N 2 0 364.493 3.296 20 0 FGADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+]CC2CCC(C(N)=O)CC2)CC1 ZINC000367614575 499217899 /nfs/dbraw/zinc/21/78/99/499217899.db2.gz HOQZSGAAMLQHOW-UHFFFAOYSA-N 2 0 357.542 3.311 20 0 FGADRP CC(=O)Nc1ccc(C[N@@H+](C)C2CCN(Cc3ccncc3)CC2)cc1 ZINC000367671778 499223569 /nfs/dbraw/zinc/22/35/69/499223569.db2.gz QBMTYZHBZXXWBZ-UHFFFAOYSA-N 2 0 352.482 3.136 20 0 FGADRP COc1ccc(Br)c(C[N@@H+]2CC[C@@H](c3nccn3C)C2)c1 ZINC000367696410 499225503 /nfs/dbraw/zinc/22/55/03/499225503.db2.gz AKUHLYDKEIIZFX-GFCCVEGCSA-N 2 0 350.260 3.181 20 0 FGADRP C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C[C@]2(C)CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000367702033 499226189 /nfs/dbraw/zinc/22/61/89/499226189.db2.gz LNXSFSNLSRMDSI-HLIPFELVSA-N 2 0 351.535 3.050 20 0 FGADRP Cc1nnc(N2CCC([NH2+][C@@H](C)[C@@H]3CCC[N@@H+](C4CCC4)C3)CC2)s1 ZINC000367832128 499236941 /nfs/dbraw/zinc/23/69/41/499236941.db2.gz PFHHLFYCZYNQFA-GOEBONIOSA-N 2 0 363.575 3.058 20 0 FGADRP C[C@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)c1cccc(OC(F)F)c1 ZINC000370638198 499238438 /nfs/dbraw/zinc/23/84/38/499238438.db2.gz WOHOUAHZHFRPKK-HOCLYGCPSA-N 2 0 353.457 3.107 20 0 FGADRP CC[NH+](CC)[C@H](CN[C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@H]1C)c1ccco1 ZINC000370650508 499240002 /nfs/dbraw/zinc/24/00/02/499240002.db2.gz DSPPKHDRHGHFQP-UAFMIMERSA-N 2 0 363.546 3.142 20 0 FGADRP C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@@H]1[NH2+]CCCCOCc1ccccc1 ZINC000370660075 499240944 /nfs/dbraw/zinc/24/09/44/499240944.db2.gz JDUPXVVJKUZORE-FCEUIQTBSA-N 2 0 360.542 3.462 20 0 FGADRP CCOc1ccc([C@H]2CCCN2C(=O)CN2CCC[C@@H]([NH+](C)C)CC2)cc1 ZINC000370696446 499245131 /nfs/dbraw/zinc/24/51/31/499245131.db2.gz GIIWYIBCELDHSG-TZIWHRDSSA-N 2 0 373.541 3.165 20 0 FGADRP Cn1cc(-c2ccccc2C[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cn1 ZINC000573197490 506141422 /nfs/dbraw/zinc/14/14/22/506141422.db2.gz DBVQSQJAKYYGMK-FYYLOGMGSA-N 2 0 374.488 3.433 20 0 FGADRP C[C@@H]1C[C@@H](CNC(=O)c2ccccc2C[NH+](C)C)C[N@@H+]1Cc1ccccc1 ZINC000368213421 499274576 /nfs/dbraw/zinc/27/45/76/499274576.db2.gz KXGBIHJHQARMOY-QUCCMNQESA-N 2 0 365.521 3.389 20 0 FGADRP CC(=O)c1ccccc1NC(=O)CN1CCC2(C[C@H]2C[N@@H+](C)C2CC2)CC1 ZINC000371321408 499309881 /nfs/dbraw/zinc/30/98/81/499309881.db2.gz QGGPWEYPNFCZDA-KRWDZBQOSA-N 2 0 369.509 3.024 20 0 FGADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]C[C@H](O)CO[C@@H](C)c2ccc(Cl)cc2)C1 ZINC000573199288 506142030 /nfs/dbraw/zinc/14/20/30/506142030.db2.gz SCQGGGNTUOKMSV-ZWOKBUDYSA-N 2 0 368.949 3.489 20 0 FGADRP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](CC3CCC(C(F)(F)F)CC3)C2)CC1 ZINC000368651271 499317526 /nfs/dbraw/zinc/31/75/26/499317526.db2.gz UEKVGNILAHALAU-DAWZGUTISA-N 2 0 361.496 3.455 20 0 FGADRP CCCC[NH+]1CCC([NH2+]C[C@H](O)COCc2ccc(Cl)cc2)CC1 ZINC000573199155 506142114 /nfs/dbraw/zinc/14/21/14/506142114.db2.gz MFKAAULSEKEJAT-IBGZPJMESA-N 2 0 354.922 3.072 20 0 FGADRP CC(C)c1nc2c([nH]1)C[C@H](C(=O)N[C@H](C)[C@@H](c1ccccc1)[NH+](C)C)CC2 ZINC000368738725 499326936 /nfs/dbraw/zinc/32/69/36/499326936.db2.gz BRTFWIUNKKHKBJ-MDYRTPRTSA-N 2 0 368.525 3.446 20 0 FGADRP CC(C)[C@@H](C(=O)N(C)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1)[NH+]1CCCCC1 ZINC000368744011 499327486 /nfs/dbraw/zinc/32/74/86/499327486.db2.gz XGAWVZPGECJMBM-ACRUOGEOSA-N 2 0 372.557 3.043 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCc1cnc(C2CC2)nc1 ZINC000371460003 499329767 /nfs/dbraw/zinc/32/97/67/499329767.db2.gz WRQSMLPFOZRALZ-UTKZUKDTSA-N 2 0 350.510 3.397 20 0 FGADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCc1cnc(C2CC2)nc1 ZINC000371460004 499329891 /nfs/dbraw/zinc/32/98/91/499329891.db2.gz WRQSMLPFOZRALZ-UWJYYQICSA-N 2 0 350.510 3.397 20 0 FGADRP C[N@@H+]1CC[C@H](C[NH2+]C2CCN(Cc3ccncc3)CC2)[C@@H]1c1ccccc1 ZINC000371520630 499337288 /nfs/dbraw/zinc/33/72/88/499337288.db2.gz VCSVBLSFLNPOFK-GGAORHGYSA-N 2 0 364.537 3.329 20 0 FGADRP COC1(C[N@H+](C)CC2(C)CC[NH+](Cc3ccccc3)CC2)CCOCC1 ZINC000368898137 499344328 /nfs/dbraw/zinc/34/43/28/499344328.db2.gz XDIYWOCVSJQPKK-UHFFFAOYSA-N 2 0 360.542 3.416 20 0 FGADRP C[NH+](C)CCOc1ccc(C[NH2+][C@@H]2CCC(=O)Nc3ccc(F)cc32)cc1 ZINC000371725356 499359346 /nfs/dbraw/zinc/35/93/46/499359346.db2.gz CZPAFWIXDSZDNZ-LJQANCHMSA-N 2 0 371.456 3.329 20 0 FGADRP COc1ccc([C@@H]2CCC[N@@H+]2CC(=O)NC2CC[NH+](C(C)C)CC2)cc1C ZINC000371747372 499361114 /nfs/dbraw/zinc/36/11/14/499361114.db2.gz QDIXJJXYUXTGHN-FQEVSTJZSA-N 2 0 373.541 3.130 20 0 FGADRP CC[N@H+](C)[C@@H](C(=O)N(C)C1CCN(c2cc[nH+]cc2)CC1)c1ccccc1 ZINC000369150389 499371253 /nfs/dbraw/zinc/37/12/53/499371253.db2.gz LFVUHMIWZMRNMF-OAQYLSRUSA-N 2 0 366.509 3.202 20 0 FGADRP CN(C(=O)C1CC[NH+](Cc2ccc(Cl)s2)CC1)[C@@H]1CCC[N@H+](C)C1 ZINC000371886693 499375617 /nfs/dbraw/zinc/37/56/17/499375617.db2.gz YEBJVKCPAFXBIB-OAHLLOKOSA-N 2 0 369.962 3.166 20 0 FGADRP Cc1ncc(CN2CC[C@H]([NH2+]C3CC[NH+](C(C)C)CC3)[C@H](C)C2)s1 ZINC000372046239 499392707 /nfs/dbraw/zinc/39/27/07/499392707.db2.gz KFNVCUWSIXXLMN-BEFAXECRSA-N 2 0 350.576 3.124 20 0 FGADRP CCC[NH+]1CCN(C2CC[NH+](Cc3ccc4ccccc4n3)CC2)CC1 ZINC000369493592 499408848 /nfs/dbraw/zinc/40/88/48/499408848.db2.gz UWBKCYGDNVQOIR-UHFFFAOYSA-N 2 0 352.526 3.227 20 0 FGADRP CC(C)(C)n1cc(C[NH2+]CC2CC[NH+](Cc3ccccc3F)CC2)nn1 ZINC000373622305 499480299 /nfs/dbraw/zinc/48/02/99/499480299.db2.gz AQFYAPREKYLKEN-UHFFFAOYSA-N 2 0 359.493 3.174 20 0 FGADRP C[NH+](C)Cc1c2ccccc2oc1C(=O)N1CCCC2(CC[NH2+]CC2)C1 ZINC000375252859 499499448 /nfs/dbraw/zinc/49/94/48/499499448.db2.gz NPGUZHQRFUOQBL-UHFFFAOYSA-N 2 0 355.482 3.100 20 0 FGADRP C(CC[NH+]1CC[C@@]2(C1)CCCOC2)CC[N@@H+]1CC[C@@]2(C1)CCCOC2 ZINC000375274987 499501976 /nfs/dbraw/zinc/50/19/76/499501976.db2.gz BUKIUBQVARXNJC-NHCUHLMSSA-N 2 0 350.547 3.162 20 0 FGADRP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]C[C@H](c1ccccc1)C(C)(C)CO ZINC000378398541 499512159 /nfs/dbraw/zinc/51/21/59/499512159.db2.gz GKPDMZSHNGMYPZ-ZDFPQIBNSA-N 2 0 374.569 3.268 20 0 FGADRP C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@H]1[NH2+]CCc1nc2c(s1)CCCC2 ZINC000378403544 499512968 /nfs/dbraw/zinc/51/29/68/499512968.db2.gz NKCHPAKIXJIKES-BRWVUGGUSA-N 2 0 363.571 3.043 20 0 FGADRP C[C@@H]1C[C@@H](NC(=O)[C@H]2C[NH2+]Cc3ccccc32)CC[N@@H+]1Cc1ccccc1 ZINC000379660672 499542738 /nfs/dbraw/zinc/54/27/38/499542738.db2.gz CTACDIMKQYTZKU-AGHHOFFYSA-N 2 0 363.505 3.043 20 0 FGADRP C[C@H]([NH2+]C[C@@H](O)COc1ccc(F)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000383333878 499546569 /nfs/dbraw/zinc/54/65/69/499546569.db2.gz ZWZCVGYFYDKZCV-FBBABVLZSA-N 2 0 372.484 3.066 20 0 FGADRP C[C@]1(CNC(=O)C2CC[NH+](C3CC3)CC2)CCC[N@@H+]1Cc1ccccc1 ZINC000375723821 499549066 /nfs/dbraw/zinc/54/90/66/499549066.db2.gz HTBRFAGSKQPBAB-JOCHJYFZSA-N 2 0 355.526 3.032 20 0 FGADRP C[C@H]([NH2+][C@H]1CCOC2(CCOCC2)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000389156295 499552326 /nfs/dbraw/zinc/55/23/26/499552326.db2.gz YCCWBMHZSDKDEC-TYPHKJRUSA-N 2 0 358.526 3.215 20 0 FGADRP O[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)COc1ccccc1 ZINC000390951419 499556156 /nfs/dbraw/zinc/55/61/56/499556156.db2.gz WTPHULGTZYKEEA-KBRMVUAJSA-N 2 0 366.505 3.212 20 0 FGADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+][C@@H](C(N)=O)c2ccc(F)cc2)CC1 ZINC000375842532 499561461 /nfs/dbraw/zinc/56/14/61/499561461.db2.gz VWXWGYZSQZPVOW-XVAXZDLZSA-N 2 0 369.484 3.385 20 0 FGADRP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](CCc3c(F)cccc3Cl)C2)CC1 ZINC000375900599 499566681 /nfs/dbraw/zinc/56/66/81/499566681.db2.gz HHKBBRQSTFOIKV-MRXNPFEDSA-N 2 0 353.913 3.122 20 0 FGADRP CC(C)c1nc2c([nH]1)C[C@H](C(=O)NC[C@H](c1ccccc1)[NH+](C)C)CC2 ZINC000376059885 499579812 /nfs/dbraw/zinc/57/98/12/499579812.db2.gz YTBYNCWPUFWLKX-VQIMIIECSA-N 2 0 354.498 3.057 20 0 FGADRP C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000376696720 499629770 /nfs/dbraw/zinc/62/97/70/499629770.db2.gz PYUIMCJPCVQXFW-YLJYHZDGSA-N 2 0 362.562 3.052 20 0 FGADRP CCN(CC[NH+]1CCCCCC1)C(=O)[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000576420095 506153757 /nfs/dbraw/zinc/15/37/57/506153757.db2.gz IDONTSXDWLXJHE-NRFANRHFSA-N 2 0 372.557 3.018 20 0 FGADRP CN(c1ccccc1C[N@@H+]1CC[C@H]([C@@H]2CCOC2)C1)C1CC[NH+](C)CC1 ZINC000377235687 499672718 /nfs/dbraw/zinc/67/27/18/499672718.db2.gz DAVASMGOHOQVDC-AZUAARDMSA-N 2 0 357.542 3.075 20 0 FGADRP c1cc(C[NH+]2CCCCC2)cc(C[N@H+]2CCC[C@@H](CN3CCOCC3)C2)c1 ZINC000411261261 499718586 /nfs/dbraw/zinc/71/85/86/499718586.db2.gz POAJNKWJMGSQHP-QHCPKHFHSA-N 2 0 371.569 3.217 20 0 FGADRP CCCn1c2ccccc2nc1CN1CCCC[C@H]([NH+]2CCN(C)CC2)C1 ZINC000377689978 499720131 /nfs/dbraw/zinc/72/01/31/499720131.db2.gz FTRHOEJXTUOQFM-IBGZPJMESA-N 2 0 369.557 3.048 20 0 FGADRP COc1ccc2c(c1)CCC[C@@H]2[N@@H+]1CCCC[C@@H](N2CCN(C)CC2)C1 ZINC000377695568 499721074 /nfs/dbraw/zinc/72/10/74/499721074.db2.gz MJUHTWLJLGKPTK-KNQAVFIVSA-N 2 0 357.542 3.175 20 0 FGADRP C[C@H](c1ccc(S(C)(=O)=O)cc1)[N@H+](C)C1CCN(c2cc[nH+]cc2)CC1 ZINC000377709837 499723713 /nfs/dbraw/zinc/72/37/13/499723713.db2.gz VKJVYWLREBJGDA-MRXNPFEDSA-N 2 0 373.522 3.147 20 0 FGADRP Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000377816398 499738204 /nfs/dbraw/zinc/73/82/04/499738204.db2.gz GPGRNIYTQYTKHI-RBUKOAKNSA-N 2 0 373.566 3.118 20 0 FGADRP C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000377838664 499740872 /nfs/dbraw/zinc/74/08/72/499740872.db2.gz AZBLTGSDTNDPNI-OKZBNKHCSA-N 2 0 351.535 3.050 20 0 FGADRP COC(=O)c1ccc(CN[C@H]2[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]2C)nc1 ZINC000411536252 499752106 /nfs/dbraw/zinc/75/21/06/499752106.db2.gz HGQORTKMLPRMKG-LFUKPOHLSA-N 2 0 367.493 3.114 20 0 FGADRP C[N@H+](Cc1ccccc1)[C@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC000377995773 499754251 /nfs/dbraw/zinc/75/42/51/499754251.db2.gz MGBIHEHTRMEVTM-FQEVSTJZSA-N 2 0 355.526 3.128 20 0 FGADRP CCOC(=O)C[C@H]1C[C@@H](OC)C[N@@H+]1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411561805 499763262 /nfs/dbraw/zinc/76/32/62/499763262.db2.gz RNAQQPVIHMLLDL-NHCUHLMSSA-N 2 0 374.525 3.215 20 0 FGADRP Cc1ccc([C@H]2CCC[C@@H]2[NH2+]CC2(N3CCOCC3)CC[NH+](C)CC2)cc1 ZINC000414181646 499766357 /nfs/dbraw/zinc/76/63/57/499766357.db2.gz CFGGJEIWVOIKQH-YADHBBJMSA-N 2 0 371.569 3.017 20 0 FGADRP CC(C)CC[C@H]([NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1)c1ccoc1 ZINC000414186353 499767003 /nfs/dbraw/zinc/76/70/03/499767003.db2.gz HQPRLNVLCFUJLT-FQEVSTJZSA-N 2 0 363.546 3.143 20 0 FGADRP C[NH+]1CCC(C[NH2+][C@H](CC2CCC2)c2ccccc2)(N2CCOCC2)CC1 ZINC000414193401 499767475 /nfs/dbraw/zinc/76/74/75/499767475.db2.gz MSIKDEYOHTWJQO-JOCHJYFZSA-N 2 0 371.569 3.304 20 0 FGADRP CCc1ccc([C@@H](CC)[NH2+]CC2(N3CCOCC3)CC[NH+](C)CC2)cc1 ZINC000414201675 499768083 /nfs/dbraw/zinc/76/80/83/499768083.db2.gz SXOVZWPSOUDIJJ-OAQYLSRUSA-N 2 0 359.558 3.086 20 0 FGADRP C[NH+]1CCC(C[NH2+][C@H]2CCCC[C@@H]2c2ccccc2)(N2CCOCC2)CC1 ZINC000414199810 499768182 /nfs/dbraw/zinc/76/81/82/499768182.db2.gz RLEQLFSENOIBMS-YADHBBJMSA-N 2 0 371.569 3.099 20 0 FGADRP Cc1ccc(C)c2c1CCC[C@@H]2[NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000414204518 499768540 /nfs/dbraw/zinc/76/85/40/499768540.db2.gz WKKGKCVVWHOANI-NRFANRHFSA-N 2 0 371.569 3.067 20 0 FGADRP CC(C)[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000414336535 499778584 /nfs/dbraw/zinc/77/85/84/499778584.db2.gz ZNFOINQDPLTCGA-LEWJYISDSA-N 2 0 357.542 3.298 20 0 FGADRP CC[C@@H]([NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1)[C@H]1CC1(C)C ZINC000414337880 499779019 /nfs/dbraw/zinc/77/90/19/499779019.db2.gz JWDSSESYRUIJJA-WOJBJXKFSA-N 2 0 357.542 3.298 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H]2CCN(c3ccc(F)cc3)C2)[C@@H](C)C1 ZINC000414340311 499779180 /nfs/dbraw/zinc/77/91/80/499779180.db2.gz GVONVCFCXICUTL-CUWPLCDZSA-N 2 0 363.521 3.131 20 0 FGADRP COC(=O)c1cc(CN2C[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)cs1 ZINC000411749208 499786109 /nfs/dbraw/zinc/78/61/09/499786109.db2.gz VBYHNOABTOSMQN-MOPGFXCFSA-N 2 0 370.518 3.489 20 0 FGADRP CC1=CCC[C@@H](C)[C@@H]1C[NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000414551254 499807269 /nfs/dbraw/zinc/80/72/69/499807269.db2.gz FBQICQQRPQIVPF-XMSQKQJNSA-N 2 0 369.553 3.466 20 0 FGADRP [NH3+]CC(=O)N1CCC[C@H](C[N@H+](Cc2ccc(F)cc2)C2CCCCC2)C1 ZINC000414676142 499820057 /nfs/dbraw/zinc/82/00/57/499820057.db2.gz UUOUILVZRIZKEO-SFHVURJKSA-N 2 0 361.505 3.158 20 0 FGADRP [NH3+]CC(=O)N1CCC[C@H](C[N@@H+]2CCCCC[C@H]2/C=C/c2ccccc2)C1 ZINC000414715274 499822256 /nfs/dbraw/zinc/82/22/56/499822256.db2.gz WINLPDHVKFMZFG-NOBHMXGUSA-N 2 0 355.526 3.142 20 0 FGADRP Cn1ccnc1C[N@H+](C[C@@H]1C[C@H]1c1ccccc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000414721291 499822843 /nfs/dbraw/zinc/82/28/43/499822843.db2.gz GEOKKWIENBUJMH-SLFFLAALSA-N 2 0 350.510 3.168 20 0 FGADRP C[C@H]1C[C@H](C[NH+]2CCC(C(=O)Nc3cc(Cl)ccc3O)CC2)CC[NH2+]1 ZINC000414762659 499827770 /nfs/dbraw/zinc/82/77/70/499827770.db2.gz WJWFTGBNFGFXCH-UONOGXRCSA-N 2 0 365.905 3.084 20 0 FGADRP C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)c2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000412154604 499828636 /nfs/dbraw/zinc/82/86/36/499828636.db2.gz HSOXAUZLYYGREP-NRFANRHFSA-N 2 0 369.553 3.476 20 0 FGADRP COc1cc(C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c(SC)cc1OC ZINC000414777871 499829996 /nfs/dbraw/zinc/82/99/96/499829996.db2.gz INXVTPIHTLAQMO-LSDHHAIUSA-N 2 0 350.528 3.247 20 0 FGADRP C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000414799159 499832594 /nfs/dbraw/zinc/83/25/94/499832594.db2.gz JUIFRUTYDDBAOS-WWGRRREGSA-N 2 0 368.319 3.273 20 0 FGADRP COc1ccc(NC(=O)C[C@H](C)[NH2+]Cc2ccc([C@@H](C)[NH3+])cc2)c(OC)c1 ZINC000414819779 499834454 /nfs/dbraw/zinc/83/44/54/499834454.db2.gz ZQNXVCJZUVKHTJ-LSDHHAIUSA-N 2 0 371.481 3.230 20 0 FGADRP COc1cc(C[NH2+]CC[C@@H]2CCC[NH2+]C2)ccc1OCc1ccncc1 ZINC000414839140 499836241 /nfs/dbraw/zinc/83/62/41/499836241.db2.gz LWIRMJXVEPXQTI-KRWDZBQOSA-N 2 0 355.482 3.149 20 0 FGADRP CC(C)c1ccc([C@H]([NH3+])CNC2CC[NH+](Cc3ccncc3)CC2)cc1 ZINC000414843600 499836743 /nfs/dbraw/zinc/83/67/43/499836743.db2.gz JTGPEYKULTYYAC-JOCHJYFZSA-N 2 0 352.526 3.459 20 0 FGADRP CCCOc1c(Br)cc(C[NH2+][C@H](C)CC[NH3+])cc1OCC ZINC000414882441 499840874 /nfs/dbraw/zinc/84/08/74/499840874.db2.gz MCXXALXASVJAEE-GFCCVEGCSA-N 2 0 359.308 3.464 20 0 FGADRP COc1ccc(-c2nn(Cc3ccccc3)cc2C[NH2+]C[C@@H](C)C[NH3+])cc1 ZINC000414882355 499841030 /nfs/dbraw/zinc/84/10/30/499841030.db2.gz UDGVXLJETZFTKR-KRWDZBQOSA-N 2 0 364.493 3.291 20 0 FGADRP Cc1nn(-c2ccc(Br)cc2)c(C)c1C[NH2+][C@@H](C)CC[NH3+] ZINC000414889212 499841941 /nfs/dbraw/zinc/84/19/41/499841941.db2.gz GBGYCNGPFXKJLT-NSHDSACASA-N 2 0 351.292 3.079 20 0 FGADRP C[C@H]1C[NH2+]CC[C@@H]1NCc1cnn(Cc2ccc(C(F)(F)F)cc2)c1 ZINC000414931382 499845502 /nfs/dbraw/zinc/84/55/02/499845502.db2.gz BRMZFSJCQVOAJH-GUYCJALGSA-N 2 0 352.404 3.038 20 0 FGADRP O=C(Nc1ccc(CC[NH+]2CCCCC2)cc1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000414965772 499849628 /nfs/dbraw/zinc/84/96/28/499849628.db2.gz NTBSVHDZGFQXDV-JOCHJYFZSA-N 2 0 370.541 3.322 20 0 FGADRP C[C@@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000414980919 499851054 /nfs/dbraw/zinc/85/10/54/499851054.db2.gz XIXDZOLOIWLDDS-RDJZCZTQSA-N 2 0 351.922 3.199 20 0 FGADRP C[C@H](CCc1ccc(Cl)s1)[NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000414993207 499852505 /nfs/dbraw/zinc/85/25/05/499852505.db2.gz UDGCQACDRKIMAZ-DGCLKSJQSA-N 2 0 369.884 3.148 20 0 FGADRP FC(F)(F)[C@H](C[NH2+]Cc1cc(-c2ccccc2)cs1)N1CC[NH2+]CC1 ZINC000414997719 499853269 /nfs/dbraw/zinc/85/32/69/499853269.db2.gz YXXBCWYTTOCBML-KRWDZBQOSA-N 2 0 369.456 3.341 20 0 FGADRP [NH3+]C[C@@H]1CC[C@@H]([NH2+]C2CCN(Cc3ccccc3Br)CC2)C1 ZINC000415045472 499857888 /nfs/dbraw/zinc/85/78/88/499857888.db2.gz UCHHBQWVHXUTFZ-RHSMWYFYSA-N 2 0 366.347 3.131 20 0 FGADRP C[C@H](CCN1C(=O)c2ccccc2C1=O)[NH2+][C@H](CCC[NH3+])c1ccccc1 ZINC000415053268 499858596 /nfs/dbraw/zinc/85/85/96/499858596.db2.gz MHUXNTFYAFWLAC-OXQOHEQNSA-N 2 0 365.477 3.131 20 0 FGADRP Fc1ccc(C(F)(F)F)cc1C[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000415060279 499859693 /nfs/dbraw/zinc/85/96/93/499859693.db2.gz WDWJQVCWLXEMHL-UHFFFAOYSA-N 2 0 359.411 3.151 20 0 FGADRP C[C@@H]1C[C@H](C[NH2+][C@H]2CCCN(Cc3ccc(F)cc3Cl)C2)CC[NH2+]1 ZINC000415078188 499861499 /nfs/dbraw/zinc/86/14/99/499861499.db2.gz FWORVZYFZZPSPK-RKVPGOIHSA-N 2 0 353.913 3.421 20 0 FGADRP COc1cc([C@H](C)[NH2+][C@@H]2CCC[NH2+]CC2)ccc1OCc1ccncc1 ZINC000415084237 499861960 /nfs/dbraw/zinc/86/19/60/499861960.db2.gz GIRNUCIISNPVOI-QFBILLFUSA-N 2 0 355.482 3.462 20 0 FGADRP C[C@@H]1C[C@@H](C[NH2+]CCOc2ncc(C(F)(F)F)cc2Cl)CC[NH2+]1 ZINC000415087881 499862175 /nfs/dbraw/zinc/86/21/75/499862175.db2.gz VOFQQDRZVLXTSK-MNOVXSKESA-N 2 0 351.800 3.110 20 0 FGADRP CCN1CC[C@H]([NH2+]C[C@@H]2CC[NH2+][C@H](C)C2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000415108797 499864574 /nfs/dbraw/zinc/86/45/74/499864574.db2.gz PCELSUKWCQECBV-XBDAZTQTSA-N 2 0 355.448 3.217 20 0 FGADRP Cc1cc(C[NH+]2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)ccc1Br ZINC000415122699 499866414 /nfs/dbraw/zinc/86/64/14/499866414.db2.gz KJJZABJPCZGGSC-SJLPKXTDSA-N 2 0 367.331 3.476 20 0 FGADRP COc1ccccc1/C=C/C[NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1 ZINC000415127046 499867542 /nfs/dbraw/zinc/86/75/42/499867542.db2.gz HTVIFGAJIASZEW-YRNVUSSQSA-N 2 0 365.521 3.292 20 0 FGADRP CCOc1cccc(C[NH2+]CC2(N)CC[NH+](Cc3ccccc3)CC2)c1 ZINC000415139913 499869640 /nfs/dbraw/zinc/86/96/40/499869640.db2.gz XSGUCMJPGWGJOE-UHFFFAOYSA-N 2 0 353.510 3.168 20 0 FGADRP CC[NH+](CC)CCOc1ccc(NC(=O)NC[C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000415180463 499873986 /nfs/dbraw/zinc/87/39/86/499873986.db2.gz LBOBSOXVPWEUBY-SJORKVTESA-N 2 0 362.518 3.046 20 0 FGADRP C[C@H](CCCC[NH3+])NC(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000415306772 499885098 /nfs/dbraw/zinc/88/50/98/499885098.db2.gz IIYFMSSAWRFNJC-QGZVFWFLSA-N 2 0 362.518 3.190 20 0 FGADRP CC(C)C[C@H](CNC(=O)c1ccnc(C[NH3+])c1)[NH2+][C@@H](C)c1ccccc1 ZINC000582239134 506166527 /nfs/dbraw/zinc/16/65/27/506166527.db2.gz NZPBHWUFHBXYFO-OXJNMPFZSA-N 2 0 354.498 3.036 20 0 FGADRP CC1CC[NH+](CCc2cccc(NC(=O)NCC[C@@H]3CCC[NH2+]C3)c2)CC1 ZINC000415394788 499891175 /nfs/dbraw/zinc/89/11/75/499891175.db2.gz QWJRELZXRSLINW-FQEVSTJZSA-N 2 0 372.557 3.472 20 0 FGADRP C[NH+](C)CCc1ccccc1NC(=O)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]C1 ZINC000415561118 499902359 /nfs/dbraw/zinc/90/23/59/499902359.db2.gz GHGHVLWURRXYMN-UYAOXDASSA-N 2 0 358.530 3.177 20 0 FGADRP C[NH2+]Cc1ccccc1NC(=O)NCC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000415911786 499927733 /nfs/dbraw/zinc/92/77/33/499927733.db2.gz KAOBUXLMBOAQDA-KRWDZBQOSA-N 2 0 354.498 3.438 20 0 FGADRP C[NH2+]Cc1cccc(NC(=O)N[C@@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)c1 ZINC000415917880 499928281 /nfs/dbraw/zinc/92/82/81/499928281.db2.gz JTRBXJZDWFTEDG-OXQOHEQNSA-N 2 0 352.482 3.363 20 0 FGADRP CC[NH2+]Cc1ccccc1NC(=O)N[C@@H](C[NH+](C)C)c1ccc(OC)cc1 ZINC000415933706 499930183 /nfs/dbraw/zinc/93/01/83/499930183.db2.gz QJAHTMJTEFPHBT-FQEVSTJZSA-N 2 0 370.497 3.229 20 0 FGADRP C[NH2+]Cc1cccc(NC(=O)NC2CC[NH+](CCc3ccccc3)CC2)c1 ZINC000415938094 499930820 /nfs/dbraw/zinc/93/08/20/499930820.db2.gz YEOFGOFNLWSHJA-UHFFFAOYSA-N 2 0 366.509 3.235 20 0 FGADRP CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC(=O)Nc1ccc(OCC[NH3+])cc1 ZINC000415939364 499930923 /nfs/dbraw/zinc/93/09/23/499930923.db2.gz QVWDXMBHUUNNOD-QFBILLFUSA-N 2 0 362.518 3.046 20 0 FGADRP C[NH2+]Cc1cccc(NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000415943778 499931489 /nfs/dbraw/zinc/93/14/89/499931489.db2.gz MZABMAJTFAVKPJ-UWJYYQICSA-N 2 0 366.509 3.438 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)Nc1ccc2c(c1F)CC[NH2+]C2)CC(C)C ZINC000415949451 499932418 /nfs/dbraw/zinc/93/24/18/499932418.db2.gz BUHPBELLMZPVQU-MRXNPFEDSA-N 2 0 364.509 3.349 20 0 FGADRP CC[C@@H](C)[NH2+][C@@H](CNC(=O)Nc1ccc2c(c1F)CC[NH2+]C2)c1ccco1 ZINC000415954628 499932888 /nfs/dbraw/zinc/93/28/88/499932888.db2.gz KXIYHIVVAAULAA-DYVFJYSZSA-N 2 0 374.460 3.315 20 0 FGADRP [NH3+]Cc1cc(NC(=O)N2CCC([NH+]3CC=CC3)CC2)cc(C(F)(F)F)c1 ZINC000415956583 499933396 /nfs/dbraw/zinc/93/33/96/499933396.db2.gz OEFJKWLXPLBQJU-UHFFFAOYSA-N 2 0 368.403 3.032 20 0 FGADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)Nc3cc(C[NH3+])cc(C(F)(F)F)c3)CC[C@@H]21 ZINC000415960581 499933706 /nfs/dbraw/zinc/93/37/06/499933706.db2.gz QIIHHJOFAVGVIL-CJNGLKHVSA-N 2 0 370.419 3.112 20 0 FGADRP CC[NH+](CC)CCN(CC(C)C)C(=O)Nc1ccc2c(c1)C[NH2+]CCO2 ZINC000415966023 499934491 /nfs/dbraw/zinc/93/44/91/499934491.db2.gz BIUVEDACIPBWFW-UHFFFAOYSA-N 2 0 362.518 3.000 20 0 FGADRP C[C@@H](CNC(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1)[N@@H+]1CCC[C@H](C)C1 ZINC000415966381 499934787 /nfs/dbraw/zinc/93/47/87/499934787.db2.gz GLIUUOQXCIBIAA-STQMWFEESA-N 2 0 372.435 3.406 20 0 FGADRP C[NH+](C)CCN(CCCc1ccccc1)C(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000415999129 499939398 /nfs/dbraw/zinc/93/93/98/499939398.db2.gz ULKDBVRUSJEUMA-UHFFFAOYSA-N 2 0 366.509 3.318 20 0 FGADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)N[C@@H](C[NH3+])c1ccc2ccccc2c1 ZINC000417036115 499954006 /nfs/dbraw/zinc/95/40/06/499954006.db2.gz SOIGUUYJLSVIHP-JXFKEZNVSA-N 2 0 354.498 3.013 20 0 FGADRP C[NH2+]CCc1ccccc1C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000582243217 506167919 /nfs/dbraw/zinc/16/79/19/506167919.db2.gz FQFAELRTBUXHKM-KRWDZBQOSA-N 2 0 371.550 3.152 20 0 FGADRP C[C@@H]1[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000576478219 506168647 /nfs/dbraw/zinc/16/86/47/506168647.db2.gz SSPHKXGNCMHZPT-GCJKJVERSA-N 2 0 365.521 3.184 20 0 FGADRP CC(C)c1ccc([C@H]([NH3+])CNC(=O)NC2CC[NH+](C(C)(C)C)CC2)cc1 ZINC000417173605 499995382 /nfs/dbraw/zinc/99/53/82/499995382.db2.gz HMMIUCJVZONWRM-LJQANCHMSA-N 2 0 360.546 3.372 20 0 FGADRP C[NH+](C)CCOc1ccc(NC(=O)C[C@@H](c2ccccc2)[NH+](C)C)cc1F ZINC000416252477 499995669 /nfs/dbraw/zinc/99/56/69/499995669.db2.gz OYKOLCPQTPEGGL-IBGZPJMESA-N 2 0 373.472 3.398 20 0 FGADRP CC1CC[NH+]([C@H](CNC(=O)NCCC[C@H]2CCC[NH2+]2)c2ccccc2)CC1 ZINC000417220960 500009045 /nfs/dbraw/zinc/00/90/45/500009045.db2.gz ZHJPTJMFERSJJE-NHCUHLMSSA-N 2 0 372.557 3.291 20 0 FGADRP C[NH+](C)C1CCC([NH2+]Cc2cnc3ccc(Br)cn23)CC1 ZINC000421369163 500029942 /nfs/dbraw/zinc/02/99/42/500029942.db2.gz HNCBBJLTLWMCLZ-UHFFFAOYSA-N 2 0 351.292 3.059 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)NCC(C)(C)[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000417296794 500032626 /nfs/dbraw/zinc/03/26/26/500032626.db2.gz MRASWAYLSLPUFK-OAHLLOKOSA-N 2 0 374.451 3.125 20 0 FGADRP CC[NH+]1CCC(N2CCC[N@H+](C/C=C/c3ccccc3OC)CC2)CC1 ZINC000421382643 500033529 /nfs/dbraw/zinc/03/35/29/500033529.db2.gz YMIQQPYJUJXPEO-RMKNXTFCSA-N 2 0 357.542 3.200 20 0 FGADRP CN(c1ccccc1C[N@@H+]1CCC[C@@H](CCO)CC1)C1CC[NH+](C)CC1 ZINC000421399675 500037848 /nfs/dbraw/zinc/03/78/48/500037848.db2.gz QOZJULQRADXNSX-LJQANCHMSA-N 2 0 359.558 3.202 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(C)(C)C1(O)CCOCC1 ZINC000417384885 500056461 /nfs/dbraw/zinc/05/64/61/500056461.db2.gz QLBRCTPPIHMKRZ-UYAOXDASSA-N 2 0 360.542 3.054 20 0 FGADRP CN(CC[C@H]1CCCC[N@@H+]1C)C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000429698909 500126317 /nfs/dbraw/zinc/12/63/17/500126317.db2.gz OJMROYATHLNMKE-FGZHOGPDSA-N 2 0 359.558 3.084 20 0 FGADRP O=C(NCC[C@@H]1CCC[NH2+]C1)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000417624420 500128369 /nfs/dbraw/zinc/12/83/69/500128369.db2.gz OMKSFAWATHGZRD-IBGZPJMESA-N 2 0 372.557 3.252 20 0 FGADRP C[NH2+]C[C@@H]1CCCN(C(=O)NCc2ccccc2C[NH+]2CCCCCC2)C1 ZINC000417632366 500131431 /nfs/dbraw/zinc/13/14/31/500131431.db2.gz YNWDLWUXIUAFEO-IBGZPJMESA-N 2 0 372.557 3.204 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)NC[C@H]([NH3+])c1ccccc1)c1ccccc1 ZINC000416844450 500136308 /nfs/dbraw/zinc/13/63/08/500136308.db2.gz PZMWCNFCEUFZMI-PMACEKPBSA-N 2 0 354.498 3.069 20 0 FGADRP [NH3+]C[C@@H](NC(=O)N1CCCC[C@@H]1c1ncc[nH]1)c1ccc2ccccc2c1 ZINC000579453351 506178223 /nfs/dbraw/zinc/17/82/23/506178223.db2.gz CMDKIXUUYYEZLA-RTBURBONSA-N 2 0 363.465 3.500 20 0 FGADRP C[C@@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1csc(-c2ccccc2)n1 ZINC000414062786 500141939 /nfs/dbraw/zinc/14/19/39/500141939.db2.gz LUUFHCHORDIJNR-MRXNPFEDSA-N 2 0 358.555 3.487 20 0 FGADRP CCC(CC)(CNC(=O)N1C[C@H](C[NH3+])C[C@H]1C)[NH2+][C@H](C)c1ccccc1 ZINC000417704779 500153147 /nfs/dbraw/zinc/15/31/47/500153147.db2.gz MTNVCPFODSIZLC-KURKYZTESA-N 2 0 360.546 3.275 20 0 FGADRP CC(C)(C)O[C@@H]1C[C@H]([NH2+]Cc2ccccc2C[N@@H+]2CC[C@H](O)C2)C1(C)C ZINC000414101264 500153597 /nfs/dbraw/zinc/15/35/97/500153597.db2.gz BQSWKWACLHKKOX-SLFFLAALSA-N 2 0 360.542 3.325 20 0 FGADRP C[NH2+]C[C@H]1CCCN1C(=O)NCC1([NH2+][C@H](C)c2ccccc2)CCCC1 ZINC000417712353 500155116 /nfs/dbraw/zinc/15/51/16/500155116.db2.gz WTDKRYIAHQCFEE-IEBWSBKVSA-N 2 0 358.530 3.043 20 0 FGADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000417734326 500159132 /nfs/dbraw/zinc/15/91/32/500159132.db2.gz KAXQTWPTNVHKNX-LZLYRXPVSA-N 2 0 366.575 3.146 20 0 FGADRP CCC[NH+]1CCC(NC(=O)N[C@H](C[NH3+])c2ccc3ccccc3c2)CC1 ZINC000417743842 500162511 /nfs/dbraw/zinc/16/25/11/500162511.db2.gz DHGJAMVBXPVYIH-HXUWFJFHSA-N 2 0 354.498 3.013 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)N1CCC([C@H]2[NH2+]CC2(C)C)CC1)CC(C)C ZINC000416959158 500166658 /nfs/dbraw/zinc/16/66/58/500166658.db2.gz PUIVTQJUOQOPGT-RTBURBONSA-N 2 0 366.594 3.163 20 0 FGADRP CON1CCC([NH2+][C@@H]2CCCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000421869849 500167068 /nfs/dbraw/zinc/16/70/68/500167068.db2.gz DRWMGXBKPMXVNK-KSEOMHKRSA-N 2 0 357.542 3.293 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)NCC[C@@H]2CCC[NH2+]C2)cc1 ZINC000416985549 500175438 /nfs/dbraw/zinc/17/54/38/500175438.db2.gz YOJBUPDOFZJIJT-MOPGFXCFSA-N 2 0 372.557 3.250 20 0 FGADRP CC(C)c1ccc([C@@H]([NH3+])CNC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1 ZINC000417803985 500175879 /nfs/dbraw/zinc/17/58/79/500175879.db2.gz YEFXSIVKSRZXKP-NXEWRWPSSA-N 2 0 358.530 3.124 20 0 FGADRP CC[NH+](CC)Cc1cccc(CNC(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)c1 ZINC000416987494 500176179 /nfs/dbraw/zinc/17/61/79/500176179.db2.gz SRXJJJTZJTUUKK-OAQYLSRUSA-N 2 0 372.557 3.202 20 0 FGADRP C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)NC2CCC([NH3+])CC2)C1 ZINC000416999270 500180333 /nfs/dbraw/zinc/18/03/33/500180333.db2.gz LZVLDYNYFMANPO-AMZMEHNNSA-N 2 0 372.557 3.234 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)NC[C@@H]([NH3+])c1ccccc1)c1ccsc1 ZINC000417002038 500180978 /nfs/dbraw/zinc/18/09/78/500180978.db2.gz FPUJGIAIVMDMGE-QZTJIDSGSA-N 2 0 360.527 3.130 20 0 FGADRP CC(C)C[C@H](CNC(=O)N[C@@H]1CC[NH2+]C[C@@H]1C)[NH2+][C@@H](C)c1ccccc1 ZINC000417863845 500187167 /nfs/dbraw/zinc/18/71/67/500187167.db2.gz AFNOJXHCUIBPAV-RAUXBKROSA-N 2 0 360.546 3.049 20 0 FGADRP CC(C)C[C@@H](CNC(=O)NC1(C)CC[NH2+]CC1)[NH2+][C@@H](C)c1ccccc1 ZINC000417867677 500187485 /nfs/dbraw/zinc/18/74/85/500187485.db2.gz FNTMOTDBFDIYKL-HKUYNNGSSA-N 2 0 360.546 3.193 20 0 FGADRP CC(C)C[C@H](CNC(=O)N1CC[C@](C)(C[NH3+])C1)[NH2+][C@@H](C)c1ccccc1 ZINC000417877890 500189955 /nfs/dbraw/zinc/18/99/55/500189955.db2.gz QIVZLRQCLWRBIT-FBBABVLZSA-N 2 0 360.546 3.132 20 0 FGADRP CC(C)C[C@H](CNC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1)[NH2+][C@@H](C)c1ccccc1 ZINC000417876338 500189960 /nfs/dbraw/zinc/18/99/60/500189960.db2.gz OYYFOAYDJPGUJW-OYNPSCLESA-N 2 0 372.557 3.003 20 0 FGADRP C[C@@H]1C[C@@H](CCNC(=O)NCCC[C@@H]2CCC[NH2+]2)C[N@@H+]1Cc1ccccc1 ZINC000417933069 500200523 /nfs/dbraw/zinc/20/05/23/500200523.db2.gz XEVCJBKWVUIJKC-NRSPTQNISA-N 2 0 372.557 3.119 20 0 FGADRP CC[C@H]([NH3+])CNC(=O)N[C@@H]1CCN(C(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000417977420 500207800 /nfs/dbraw/zinc/20/78/00/500207800.db2.gz BUGMPEKMEVRCCD-XKQJLSEDSA-N 2 0 370.900 3.039 20 0 FGADRP C[C@H](NC(=O)NCC[NH2+]C1CCCCCC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000417984298 500209281 /nfs/dbraw/zinc/20/92/81/500209281.db2.gz DGIYHYTZGLIXKE-ROUUACIJSA-N 2 0 364.578 3.251 20 0 FGADRP C[C@H](NC(=O)N[C@@H](C[NH3+])C1CCCCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000417984010 500209374 /nfs/dbraw/zinc/20/93/74/500209374.db2.gz CCFIKUODZPJMSJ-WMQCIHAUSA-N 2 0 372.557 3.104 20 0 FGADRP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)CC[C@H]([NH3+])c2ccccc2)CC1 ZINC000579470270 506182583 /nfs/dbraw/zinc/18/25/83/506182583.db2.gz CFJLPSMUIMLTTP-UWJYYQICSA-N 2 0 366.509 3.203 20 0 FGADRP CCC([NH3+])(CC)CNC(=O)NC[C@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000418034283 500217708 /nfs/dbraw/zinc/21/77/08/500217708.db2.gz OFENHFRZKWBVJG-OAHLLOKOSA-N 2 0 374.451 3.125 20 0 FGADRP CCC(CC)[C@@H](CNC(=O)NC1CCC([NH+](C)C)CC1)[NH+]1CCCC1 ZINC000422156755 500222693 /nfs/dbraw/zinc/22/26/93/500222693.db2.gz XETUUYMHABTGOM-CTWPCTMYSA-N 2 0 352.567 3.059 20 0 FGADRP C[C@@H](NC(=O)C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1)c1ccc2c(c1)CCCC2 ZINC000579474348 506183522 /nfs/dbraw/zinc/18/35/22/506183522.db2.gz UCSAKPISOYEECP-VGOFRKELSA-N 2 0 369.553 3.064 20 0 FGADRP CC[C@H](C)CNC(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000422222202 500236777 /nfs/dbraw/zinc/23/67/77/500236777.db2.gz DJKVDBQEQIRNEP-QXAKKESOSA-N 2 0 352.567 3.011 20 0 FGADRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000418150633 500237801 /nfs/dbraw/zinc/23/78/01/500237801.db2.gz DCCGFGOVKNWBGL-PMACEKPBSA-N 2 0 374.573 3.302 20 0 FGADRP CCc1ccccc1[C@H]([NH3+])CNC(=O)N[C@@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC000418162761 500239760 /nfs/dbraw/zinc/23/97/60/500239760.db2.gz CXIYGEUYOFHXDC-ZLGUVYLKSA-N 2 0 368.525 3.239 20 0 FGADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)NC1CCC([NH+](C)C)CC1 ZINC000422247351 500241078 /nfs/dbraw/zinc/24/10/78/500241078.db2.gz WKFZDCUQYQZGQM-RGVPCPSESA-N 2 0 352.567 3.059 20 0 FGADRP Cc1ccccc1[C@H]([C@H](C)NC(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1)[NH+](C)C ZINC000418186465 500244918 /nfs/dbraw/zinc/24/49/18/500244918.db2.gz RYRMMLXCMHUZMO-IWFBPKFRSA-N 2 0 372.557 3.017 20 0 FGADRP C[C@@H](C(=O)Nc1ccc(C(F)(F)F)cc1)N1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000582314783 506184671 /nfs/dbraw/zinc/18/46/71/506184671.db2.gz NVKKUEJZDDFIOJ-KSSFIOAISA-N 2 0 369.431 3.450 20 0 FGADRP [NH3+]C[C@H](NC(=O)NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)C1CCCC1 ZINC000418227611 500252736 /nfs/dbraw/zinc/25/27/36/500252736.db2.gz AAACMSDDLFTBHC-FPOVZHCZSA-N 2 0 372.557 3.105 20 0 FGADRP CC[NH2+]CC1CC[NH+](CCCc2nc(-c3ccc(C)c(F)c3)no2)CC1 ZINC000430561028 500254705 /nfs/dbraw/zinc/25/47/05/500254705.db2.gz YKWUCAIAOLKOIT-UHFFFAOYSA-N 2 0 360.477 3.438 20 0 FGADRP CC[NH2+]CC1CC[NH+]([C@@H](C)C(=O)N[C@H](C)c2ccc3c(c2)CCCC3)CC1 ZINC000430571865 500256405 /nfs/dbraw/zinc/25/64/05/500256405.db2.gz NFDSQJWCLLJYET-MSOLQXFVSA-N 2 0 371.569 3.453 20 0 FGADRP CCCN(C(=O)NCC[C@@H]1CC[NH2+]C1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000418343893 500265142 /nfs/dbraw/zinc/26/51/42/500265142.db2.gz RKKFDYPMJTXRBP-PZJWPPBQSA-N 2 0 372.557 3.072 20 0 FGADRP [NH3+]C[C@@H]1CCC[N@H+](CCC(=O)N[C@H](c2cccs2)c2ccccc2)C1 ZINC000430642438 500265397 /nfs/dbraw/zinc/26/53/97/500265397.db2.gz KMFWWESXPSJEPK-JXFKEZNVSA-N 2 0 357.523 3.015 20 0 FGADRP CC(C)(C)c1ccc([C@@H]2CCCN2C(=O)C[NH+]2CCC(C[NH3+])CC2)cc1 ZINC000430642999 500265608 /nfs/dbraw/zinc/26/56/08/500265608.db2.gz WKFMNMCQTVETSN-FQEVSTJZSA-N 2 0 357.542 3.318 20 0 FGADRP CC(C)c1ccc([C@H]([NH3+])CNC(=O)NCc2ccc([C@H](C)[NH3+])cc2)cc1 ZINC000418357101 500268127 /nfs/dbraw/zinc/26/81/27/500268127.db2.gz QMQWUCMSOPTWMU-MGPUTAFESA-N 2 0 354.498 3.329 20 0 FGADRP CC(C)c1ccc([C@@H]([NH3+])CNC(=O)N2CCC[C@@H]2C[NH+]2CCCC2)cc1 ZINC000418365497 500268677 /nfs/dbraw/zinc/26/86/77/500268677.db2.gz XVMGETTVEHYUCR-UXHICEINSA-N 2 0 358.530 3.080 20 0 FGADRP CN(C(=O)N[C@H](C[NH3+])C1CCCCC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000418384439 500270455 /nfs/dbraw/zinc/27/04/55/500270455.db2.gz OJEPUVSTHBVXGT-OAQYLSRUSA-N 2 0 372.557 3.200 20 0 FGADRP CCC([NH3+])(CC)CNC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000418426734 500275151 /nfs/dbraw/zinc/27/51/51/500275151.db2.gz MNEMAXVEDPAFKJ-WOJBJXKFSA-N 2 0 372.557 3.200 20 0 FGADRP C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)NC(C)(C)CC[NH3+])cc1 ZINC000422590548 500279461 /nfs/dbraw/zinc/27/94/61/500279461.db2.gz LBTSAMKUCGJQGM-UHFFFAOYSA-N 2 0 368.525 3.342 20 0 FGADRP C[NH+](C)[C@H](CNC(=O)c1ccc2c(ccn2CCC[NH3+])c1)C1CCCCC1 ZINC000430747759 500279463 /nfs/dbraw/zinc/27/94/63/500279463.db2.gz YWOLFIGWCNXGKC-OAQYLSRUSA-N 2 0 370.541 3.230 20 0 FGADRP c1ccc(NCCCC[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)nc1 ZINC000422701657 500287004 /nfs/dbraw/zinc/28/70/04/500287004.db2.gz IYZZXPJXGJHFJS-GHTZIAJQSA-N 2 0 352.482 3.119 20 0 FGADRP C[NH+](C)CC[C@@H](NC(=O)c1ccc2c(ccn2CCC[NH3+])c1)C(C)(C)C ZINC000430802889 500287393 /nfs/dbraw/zinc/28/73/93/500287393.db2.gz PDGGBHURJPHIMU-LJQANCHMSA-N 2 0 358.530 3.086 20 0 FGADRP Cc1ccc(C(=O)Nc2cccc(C[NH2+][C@@H]3CCOC[C@H]3[C@H](C)[NH3+])c2)cc1 ZINC000422708266 500287555 /nfs/dbraw/zinc/28/75/55/500287555.db2.gz ISUXCJXUNATJKY-ORYQWCPZSA-N 2 0 367.493 3.089 20 0 FGADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]C1CCN(Cc2cccc(C(F)(F)F)c2)CC1 ZINC000422705927 500287963 /nfs/dbraw/zinc/28/79/63/500287963.db2.gz DBMZBCOEHMSXGU-YJBOKZPZSA-N 2 0 355.448 3.387 20 0 FGADRP COc1ccc(C[NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)cc1OC1CCCC1 ZINC000422713155 500288314 /nfs/dbraw/zinc/28/83/14/500288314.db2.gz PHIUFZHDFBRDLP-SLFFLAALSA-N 2 0 374.525 3.263 20 0 FGADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C[C@H](c1cccc(F)c1)N1CCOCC1 ZINC000422720829 500289724 /nfs/dbraw/zinc/28/97/24/500289724.db2.gz TYWPWXIZMFJVAW-DUXKGJEZSA-N 2 0 363.521 3.099 20 0 FGADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]Cc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000422729021 500290676 /nfs/dbraw/zinc/29/06/76/500290676.db2.gz HDXCHXMSGBJAJV-MTNREXPMSA-N 3 0 359.558 3.293 20 0 FGADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]CC1(c2ccc(Br)cc2)CCC1 ZINC000422731252 500291833 /nfs/dbraw/zinc/29/18/33/500291833.db2.gz GPUFHYGOINUUSX-IAOVAPTHSA-N 2 0 367.331 3.213 20 0 FGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]C2CCC(C[NH3+])CC2)CC1 ZINC000422741479 500293316 /nfs/dbraw/zinc/29/33/16/500293316.db2.gz OLDMEYZHCHKJBX-MUYFXNHWSA-N 3 0 362.537 3.136 20 0 FGADRP COc1ccccc1[C@H](CN[C@H](Cc1ccccc1)[C@H](C)[NH3+])[NH+]1CCCC1 ZINC000422749486 500293532 /nfs/dbraw/zinc/29/35/32/500293532.db2.gz ZKKWPSCLECKRGN-BWAGFHJFSA-N 2 0 367.537 3.380 20 0 FGADRP COC[C@@H](CCC[NH3+])[NH2+]CC1(c2cccc(C(F)(F)F)c2)CCOCC1 ZINC000422757592 500294329 /nfs/dbraw/zinc/29/43/29/500294329.db2.gz JTLOCCYOOLIHON-QGZVFWFLSA-N 2 0 374.447 3.097 20 0 FGADRP CN(C)[C@H](C[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1ccccc1 ZINC000422753266 500294685 /nfs/dbraw/zinc/29/46/85/500294685.db2.gz IGJJOOCVXCCQFR-VWPQPMDRSA-N 2 0 351.494 3.135 20 0 FGADRP C[C@H](NCC1([NH2+][C@@H](C)c2ccccc2)CCOCC1)c1c[nH+]ccc1N ZINC000422759370 500294784 /nfs/dbraw/zinc/29/47/84/500294784.db2.gz JVRYRIUETHUXQM-IRXDYDNUSA-N 2 0 354.498 3.045 20 0 FGADRP CCC(CC)(CN[C@H](C1CC1)[C@H]1C[NH2+]CCO1)[NH2+][C@H](C)c1ccccc1 ZINC000422760673 500295194 /nfs/dbraw/zinc/29/51/94/500295194.db2.gz LCPVAANTVSUYFO-DUXKGJEZSA-N 2 0 359.558 3.253 20 0 FGADRP CCOC(=O)C1([C@@H](C)[NH2+]CCSc2ccc(Cl)cc2)CC[NH2+]CC1 ZINC000422766245 500295428 /nfs/dbraw/zinc/29/54/28/500295428.db2.gz LQURIRNQPPKPFM-CQSZACIVSA-N 2 0 370.946 3.343 20 0 FGADRP COc1cc(C[NH2+][C@@H]2CCOC[C@H]2[C@@H](C)[NH3+])ccc1OCc1ccccc1 ZINC000422760144 500295432 /nfs/dbraw/zinc/29/54/32/500295432.db2.gz GESGNLXGBJBWCI-LSTHTHJFSA-N 2 0 370.493 3.116 20 0 FGADRP C[C@H]([NH2+]C1(CN[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)CCOCC1)c1ccccc1 ZINC000422773848 500296292 /nfs/dbraw/zinc/29/62/92/500296292.db2.gz ZKXRSJXRJVOBQW-BDKRGJGYSA-N 2 0 371.569 3.397 20 0 FGADRP C[C@H](CCCC[NH3+])[NH2+]Cc1cc(C(F)(F)F)ccc1N1CC[NH+](C)CC1 ZINC000422781289 500296719 /nfs/dbraw/zinc/29/67/19/500296719.db2.gz LKVCOGYYVBNSPF-OAHLLOKOSA-N 3 0 372.479 3.064 20 0 FGADRP C[N@H+](CCCN[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)Cc1ccccc1 ZINC000422785219 500297691 /nfs/dbraw/zinc/29/76/91/500297691.db2.gz MZCFAINCDNTZCV-GGAORHGYSA-N 2 0 365.521 3.354 20 0 FGADRP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@@H]2N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000422797813 500299023 /nfs/dbraw/zinc/29/90/23/500299023.db2.gz OOOYTYJOAOCRHY-KAGYGMCKSA-N 2 0 355.526 3.096 20 0 FGADRP c1nc2ccccc2n1CCC[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422794717 500299137 /nfs/dbraw/zinc/29/91/37/500299137.db2.gz ZDWWIVBMDYKWFK-UGKGYDQZSA-N 2 0 362.477 3.272 20 0 FGADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]Cc1ccc(OCc2cccc(F)c2)cc1 ZINC000422801114 500300039 /nfs/dbraw/zinc/30/00/39/500300039.db2.gz DQRYWANNBFRTQS-IWMITWMQSA-N 2 0 358.457 3.247 20 0 FGADRP C[C@@H]1C[NH+](Cc2ccc(C[NH2+][C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)cc2)C[C@@H](C)O1 ZINC000422810561 500300995 /nfs/dbraw/zinc/30/09/95/500300995.db2.gz NQJMWHOZQQUKID-JTPPEQCGSA-N 3 0 371.569 3.306 20 0 FGADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CC(C)(C)c1ccc2c(c1)OCCO2 ZINC000422818718 500301921 /nfs/dbraw/zinc/30/19/21/500301921.db2.gz GYVIXNHFHYRHJO-QFBILLFUSA-N 2 0 354.494 3.284 20 0 FGADRP CN(CC[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)Cc1ccc(F)cc1 ZINC000422820798 500302026 /nfs/dbraw/zinc/30/20/26/500302026.db2.gz SGCMLGKSARARIX-UNMCSNQZSA-N 2 0 369.484 3.103 20 0 FGADRP FC(F)Oc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000422832160 500303314 /nfs/dbraw/zinc/30/33/14/500303314.db2.gz URRWQEZVASIQGL-YDZRNGNQSA-N 2 0 366.452 3.412 20 0 FGADRP C[C@H](C(=O)NC[C@H](c1c(F)cccc1Cl)N1CCCC1)N1CC(C)C1 ZINC000570527371 506188180 /nfs/dbraw/zinc/18/81/80/506188180.db2.gz SQUMHFNTMSQNKF-RHSMWYFYSA-N 2 0 367.896 3.072 20 0 FGADRP CC[C@H](C[NH2+][C@@H]1CCOC[C@@H]1[C@@H](C)[NH3+])Oc1cccc(C(F)(F)F)c1 ZINC000422841079 500304641 /nfs/dbraw/zinc/30/46/41/500304641.db2.gz VDNHBYDQZFHJCD-ODVANORSSA-N 2 0 360.420 3.205 20 0 FGADRP CC[C@H](C[NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1)Oc1ccccc1Cl ZINC000422842965 500304774 /nfs/dbraw/zinc/30/47/74/500304774.db2.gz ZXFDLVFXNDPSOC-XYVMCAHJSA-N 2 0 352.906 3.244 20 0 FGADRP COc1ccccc1N1CC[C@H](C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)C1 ZINC000422851674 500306184 /nfs/dbraw/zinc/30/61/84/500306184.db2.gz PKSATYBRCLQWHR-YSTOQKLRSA-N 2 0 357.542 3.422 20 0 FGADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@@H]1CCN(C(=O)CCc2ccccc2)C1 ZINC000422869795 500307893 /nfs/dbraw/zinc/30/78/93/500307893.db2.gz APUIULLKPGTODI-HLAWJBBLSA-N 2 0 357.542 3.121 20 0 FGADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1ccc(N2C[C@@H](C)O[C@H](C)C2)nc1 ZINC000422876328 500309102 /nfs/dbraw/zinc/30/91/02/500309102.db2.gz GERGKGJOTPJTIJ-MLYOOKFZSA-N 2 0 360.546 3.096 20 0 FGADRP CCOC(=O)C1([C@@H](C)[NH2+][C@H](C)c2cccc(OC(C)C)c2)CC[NH2+]CC1 ZINC000422882084 500310365 /nfs/dbraw/zinc/31/03/65/500310365.db2.gz OZIQTTODZVJKAG-IAGOWNOFSA-N 2 0 362.514 3.446 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2C[NH2+][C@H](C2CC2)[C@H]2CNCCO2)C1 ZINC000422887303 500310672 /nfs/dbraw/zinc/31/06/72/500310672.db2.gz AZAUFJDTTVGARK-AAUAJYIVSA-N 2 0 371.569 3.021 20 0 FGADRP COCCOc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc(C[NH3+])nc2C)cc1OC ZINC000422893391 500312255 /nfs/dbraw/zinc/31/22/55/500312255.db2.gz QIAXZTGQJWUZQG-CABCVRRESA-N 2 0 373.497 3.294 20 0 FGADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000422899851 500312943 /nfs/dbraw/zinc/31/29/43/500312943.db2.gz PILJAQRVMPXMCS-RLFYNMQTSA-N 2 0 366.347 3.383 20 0 FGADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CC1CC[NH+](Cc2ccccc2)CC1 ZINC000422897205 500313039 /nfs/dbraw/zinc/31/30/39/500313039.db2.gz BMLGEABLEORTBS-KRWDZBQOSA-N 3 0 352.526 3.412 20 0 FGADRP COc1ccc(C2(C[NH2+][C@H]3C[C@H]([NH3+])c4ccccc43)CCOCC2)cc1 ZINC000422905903 500314623 /nfs/dbraw/zinc/31/46/23/500314623.db2.gz ZSRTVTKXFKYVTQ-SFTDATJTSA-N 2 0 352.478 3.478 20 0 FGADRP CC[N@H+](CCC1CCN(C(=O)NC[C@H]2CCC[C@H]([NH3+])C2)CC1)CC(C)C ZINC000418734643 500315029 /nfs/dbraw/zinc/31/50/29/500315029.db2.gz VXNHJFNKGCFUCA-PMACEKPBSA-N 2 0 366.594 3.294 20 0 FGADRP COC[C@H](CCC[NH3+])[NH2+]C[C@@H]1CCCCN1Cc1cccc(Cl)c1 ZINC000422909226 500315244 /nfs/dbraw/zinc/31/52/44/500315244.db2.gz NQRRHQZOIPMKKB-OALUTQOASA-N 2 0 353.938 3.038 20 0 FGADRP Fc1cccc(F)c1CN1CCC[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)C1 ZINC000422909150 500315566 /nfs/dbraw/zinc/31/55/66/500315566.db2.gz NLWWBBZDVITTBW-OBNJBMLMSA-N 2 0 363.496 3.440 20 0 FGADRP CCOC(=O)C1([C@@H](C)[NH2+][C@@H](CC)c2cc(F)ccc2F)CC[NH2+]CC1 ZINC000422918224 500316034 /nfs/dbraw/zinc/31/60/34/500316034.db2.gz HNYNPDVCYPHFPS-DYVFJYSZSA-N 2 0 354.441 3.327 20 0 FGADRP CCOc1ccc([C@H](C)NC(=O)CCC[NH2+][C@H]2CCCC[C@@H]2C[NH3+])cc1 ZINC000422930732 500318132 /nfs/dbraw/zinc/31/81/32/500318132.db2.gz VRVBLBOXWTVMBI-HQRMLTQVSA-N 2 0 361.530 3.150 20 0 FGADRP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[NH+]1C[C@@H]2CCCC[C@H]2C1 ZINC000426769642 500318378 /nfs/dbraw/zinc/31/83/78/500318378.db2.gz KRXBXKRMJWRBJX-GIVPXCGWSA-N 2 0 369.553 3.278 20 0 FGADRP CCOc1ccc([C@H](C)NC(=O)CCC[NH2+][C@@H]2CCCCC[C@@H]2[NH3+])cc1 ZINC000422927801 500318564 /nfs/dbraw/zinc/31/85/64/500318564.db2.gz HEIMRXVEOPCEBF-FFZOFVMBSA-N 2 0 361.530 3.292 20 0 FGADRP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCc1cc(Cl)c2c(c1)OCCO2 ZINC000422931357 500319045 /nfs/dbraw/zinc/31/90/45/500319045.db2.gz XJKRMSYNZIOBPV-KDOFPFPSSA-N 2 0 360.885 3.202 20 0 FGADRP Cc1ccc(NC(=O)COc2ccc(CC[NH2+][C@H](C)C[C@H](C)[NH3+])cc2)cc1 ZINC000422933136 500319088 /nfs/dbraw/zinc/31/90/88/500319088.db2.gz HDGFKWPELDLZBY-ZWKOTPCHSA-N 2 0 369.509 3.270 20 0 FGADRP C[C@@H]1C[N@@H+](CCC2CC[NH+](CCOc3ccc(F)cc3)CC2)C[C@H](C)O1 ZINC000426778685 500319546 /nfs/dbraw/zinc/31/95/46/500319546.db2.gz ZWOYJTORDGCGJP-HDICACEKSA-N 2 0 364.505 3.416 20 0 FGADRP CC[C@H]([NH2+]C[C@@H]1CCN(c2ccc(Br)cc2)C1)[C@@H]1CCC[NH2+]1 ZINC000422951606 500322666 /nfs/dbraw/zinc/32/26/66/500322666.db2.gz ZHDRMVUJCLOYLY-WBAXXEDZSA-N 2 0 366.347 3.396 20 0 FGADRP Brc1ccc(OCC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000422951241 500322805 /nfs/dbraw/zinc/32/28/05/500322805.db2.gz ZYRGDRCATMVWQL-ZACQAIPSSA-N 2 0 353.304 3.338 20 0 FGADRP COC[C@H](CCC[NH3+])[NH2+]C[C@H](C)Sc1ccc(Br)cc1 ZINC000422953524 500323098 /nfs/dbraw/zinc/32/30/98/500323098.db2.gz FUMFANACFVQLBB-JSGCOSHPSA-N 2 0 361.349 3.273 20 0 FGADRP COc1ccc(C(=O)Nc2cccc(OCC[NH2+][C@H](C)C[C@@H](C)[NH3+])c2)cc1 ZINC000422958254 500323837 /nfs/dbraw/zinc/32/38/37/500323837.db2.gz OUYXWEJDPGLOAS-HZPDHXFCSA-N 2 0 371.481 3.042 20 0 FGADRP c1cc(COC2CCOCC2)ccc1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000422961989 500324827 /nfs/dbraw/zinc/32/48/27/500324827.db2.gz BLIZDWREQBOAIL-YPAWHYETSA-N 2 0 358.526 3.393 20 0 FGADRP FC(F)(F)c1cccnc1OCC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000423001160 500329510 /nfs/dbraw/zinc/32/95/10/500329510.db2.gz WTSXSUDASPSNHD-CWRNSKLLSA-N 2 0 357.420 3.380 20 0 FGADRP CCOC(=O)C1([C@H](C)[NH2+][C@H](C[C@@H]2CCOC2)c2ccccc2)CC[NH2+]CC1 ZINC000423002394 500329567 /nfs/dbraw/zinc/32/95/67/500329567.db2.gz JGNSRMXHBMRMDC-CMKODMSKSA-N 2 0 374.525 3.065 20 0 FGADRP CN1CC[C@H]([NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)[C@H]1c1ccccc1 ZINC000423010968 500330585 /nfs/dbraw/zinc/33/05/85/500330585.db2.gz HPXOMMYNVQHJKA-KKSHJYNMSA-N 2 0 363.505 3.277 20 0 FGADRP C[C@@H]1C[NH+](CCOc2ccc(CC[NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)cc2)C[C@H]1C ZINC000423018316 500331970 /nfs/dbraw/zinc/33/19/70/500331970.db2.gz QTFBZHVHZYYNAM-QZTXBVBZSA-N 3 0 371.569 3.068 20 0 FGADRP CCOC(=O)C1([C@H](C)[NH2+]CC2(c3ccccc3Cl)CC2)CC[NH2+]CC1 ZINC000423025902 500332389 /nfs/dbraw/zinc/33/23/89/500332389.db2.gz PLMJGQDARRIMDV-HNNXBMFYSA-N 2 0 364.917 3.283 20 0 FGADRP C[C@@H]([NH2+]CCOc1ccc(Br)cc1C(F)(F)F)C1C[NH2+]C1 ZINC000423033602 500332947 /nfs/dbraw/zinc/33/29/47/500332947.db2.gz ZJKCGCQQWZXEPN-SECBINFHSA-N 2 0 367.209 3.044 20 0 FGADRP OC[C@@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000423036480 500334007 /nfs/dbraw/zinc/33/40/07/500334007.db2.gz UDHWTVYBLSJQGL-GSPCLOLRSA-N 3 0 371.569 3.044 20 0 FGADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]C1CCN(C(=O)c2ccccc2C(F)(F)F)CC1 ZINC000423048768 500335268 /nfs/dbraw/zinc/33/52/68/500335268.db2.gz ITCPTGOZDKACFH-OLZOCXBDSA-N 2 0 357.420 3.025 20 0 FGADRP Fc1cc(CC[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc(F)c1F ZINC000423047405 500335314 /nfs/dbraw/zinc/33/53/14/500335314.db2.gz VEEYHYFZOMAXHI-FXAWDEMLSA-N 2 0 362.395 3.492 20 0 FGADRP CCOC(=O)C1([C@H](C)[NH2+]C[C@H]2CCCc3cc(OC)ccc32)CC[NH2+]CC1 ZINC000423049301 500335520 /nfs/dbraw/zinc/33/55/20/500335520.db2.gz JVKZHGPWUXKFLZ-FUHWJXTLSA-N 2 0 374.525 3.026 20 0 FGADRP CCOC(=O)C1([C@@H](C)[NH2+]C[C@H]2CCCc3cc(OC)ccc32)CC[NH2+]CC1 ZINC000423049302 500335724 /nfs/dbraw/zinc/33/57/24/500335724.db2.gz JVKZHGPWUXKFLZ-SJLPKXTDSA-N 2 0 374.525 3.026 20 0 FGADRP C[C@@H]([NH2+][C@@H]1CC2CCC1CC2)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000431103789 500336460 /nfs/dbraw/zinc/33/64/60/500336460.db2.gz RFFFYAMWTXCOMV-SEWFVUKKSA-N 2 0 369.553 3.324 20 0 FGADRP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCN1CCc2c(Cl)cccc2C1 ZINC000423062276 500337425 /nfs/dbraw/zinc/33/74/25/500337425.db2.gz SUCULUOWKFJOSN-IERDGZPVSA-N 2 0 357.929 3.246 20 0 FGADRP FC(F)(F)c1ccc(C2(C[NH2+][C@@H]3CCOC[C@@H]3[C@H]3CCC[NH2+]3)CC2)cc1 ZINC000423063374 500337518 /nfs/dbraw/zinc/33/75/18/500337518.db2.gz WGAYSOSXCRAHEA-KZNAEPCWSA-N 2 0 368.443 3.484 20 0 FGADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CCCN(c2ccc(Cl)cc2Cl)C1 ZINC000423066640 500337769 /nfs/dbraw/zinc/33/77/69/500337769.db2.gz FBQABFZPNYPUDQ-GUSZCTEKSA-N 2 0 372.340 3.304 20 0 FGADRP COC[C@H](CCC[NH3+])[NH2+][C@H]1CCCN(c2ccc(Cl)cc2Cl)C1 ZINC000423067250 500337982 /nfs/dbraw/zinc/33/79/82/500337982.db2.gz GQTVWJRNCDOPTG-GJZGRUSLSA-N 2 0 360.329 3.306 20 0 FGADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]CCc1c[nH]c2cc(Cl)cc(Cl)c12 ZINC000423071246 500338711 /nfs/dbraw/zinc/33/87/11/500338711.db2.gz HOQYUOLCSNTJOS-VZJVUDMVSA-N 2 0 356.297 3.359 20 0 FGADRP C[NH+]1CCC(Oc2ccc(CN[C@H]3C[C@@H]([NH3+])c4ccccc43)cc2)CC1 ZINC000423101500 500342595 /nfs/dbraw/zinc/34/25/95/500342595.db2.gz IYLILIVNMLWSGZ-YADHBBJMSA-N 2 0 351.494 3.394 20 0 FGADRP [NH3+][C@@H]1C[C@@H]([NH2+]C2CCN(C(=O)c3cc(Cl)c[nH]3)CC2)c2ccccc21 ZINC000423115661 500344459 /nfs/dbraw/zinc/34/44/59/500344459.db2.gz YFYCIPNIVGGIJU-IAGOWNOFSA-N 2 0 358.873 3.007 20 0 FGADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H](Cc1ccc(F)cc1)[C@@H]1COc2ccccc2O1 ZINC000423121330 500345223 /nfs/dbraw/zinc/34/52/23/500345223.db2.gz AUOJZCIWCMSVCD-YYJDGNJWSA-N 2 0 358.457 3.292 20 0 FGADRP C[C@@H](CCC[NH3+])[NH2+]C1CCN(Cc2cccc(Br)c2)CC1 ZINC000423186341 500352664 /nfs/dbraw/zinc/35/26/64/500352664.db2.gz OJMDKKICCDTERU-AWEZNQCLSA-N 2 0 354.336 3.131 20 0 FGADRP C[C@@H](NCCC[NH2+]Cc1cccnc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423192422 500353284 /nfs/dbraw/zinc/35/32/84/500353284.db2.gz VGWQZPNBDNULGP-KNQAVFIVSA-N 2 0 352.526 3.062 20 0 FGADRP C[C@@H]([NH2+]CC[C@@H]1CC[NH2+]C1)c1ccc(F)c(I)c1 ZINC000423242794 500357952 /nfs/dbraw/zinc/35/79/52/500357952.db2.gz FWHKIQOEAPGDHZ-MNOVXSKESA-N 2 0 362.230 3.081 20 0 FGADRP C[C@@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[NH2+]CC(C)(C)[NH3+] ZINC000423282643 500361298 /nfs/dbraw/zinc/36/12/98/500361298.db2.gz DBNSAULDMSWXRQ-VIFPVBQESA-N 2 0 351.800 3.403 20 0 FGADRP C[NH+](C)[C@@H](CNC(=O)C(C)(C)[C@@H]([NH3+])c1ccccc1)c1cccc(F)c1 ZINC000423315278 500363393 /nfs/dbraw/zinc/36/33/93/500363393.db2.gz ZKNKLZUPINRZNP-OALUTQOASA-N 2 0 357.473 3.271 20 0 FGADRP CN(C(=O)C1(C[NH+](C)C)CCCCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000427177689 500363524 /nfs/dbraw/zinc/36/35/24/500363524.db2.gz IIOKRKWQCZCOTI-HXUWFJFHSA-N 2 0 357.542 3.231 20 0 FGADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000427215676 500368897 /nfs/dbraw/zinc/36/88/97/500368897.db2.gz CBNQHCCHSSTNCS-QZTJIDSGSA-N 2 0 359.514 3.363 20 0 FGADRP Cc1nc(C(C)C)sc1[C@@H](C)[NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000423399700 500370604 /nfs/dbraw/zinc/37/06/04/500370604.db2.gz WOLIPPHMLCIPCW-YPMHNXCESA-N 2 0 364.481 3.062 20 0 FGADRP COCC1(C[NH2+][C@H]2CCCC[C@H]2c2ccc(OC)c(F)c2)CC[NH2+]CC1 ZINC000423407182 500371155 /nfs/dbraw/zinc/37/11/55/500371155.db2.gz LVLMADLDVFUXIA-HKUYNNGSSA-N 2 0 364.505 3.466 20 0 FGADRP Cc1ccc2cc([C@@H](C)[NH2+]C[C@@H](N3CC[NH2+]CC3)C(F)(F)F)oc2c1 ZINC000423402579 500371202 /nfs/dbraw/zinc/37/12/02/500371202.db2.gz YMFWUORUHKGXPK-CXAGYDPISA-N 2 0 355.404 3.228 20 0 FGADRP COCC1(C[NH2+][C@H](C)c2ccc(OCC(F)(F)F)cc2)CC[NH2+]CC1 ZINC000423409571 500371735 /nfs/dbraw/zinc/37/17/35/500371735.db2.gz QMGBYVCYIQCVOV-CQSZACIVSA-N 2 0 360.420 3.295 20 0 FGADRP CCc1ccc(C[C@H](Cc2ccc(Cl)cc2)[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)nc1 ZINC000423424491 500373639 /nfs/dbraw/zinc/37/36/39/500373639.db2.gz FTLVFMPUQFVZDV-UWHLTILDSA-N 2 0 355.913 3.259 20 0 FGADRP C[C@H]([NH2+][C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)c1ccc(Cl)cc1Cl ZINC000423445864 500375510 /nfs/dbraw/zinc/37/55/10/500375510.db2.gz CEPSSHMCHGDVOZ-LSKLOWJMSA-N 2 0 370.324 3.291 20 0 FGADRP CC(C)COc1ccc([C@@H](C)[NH2+][C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)cc1 ZINC000423456490 500375908 /nfs/dbraw/zinc/37/59/08/500375908.db2.gz NTGREVILARUGAH-CNDZOEFASA-N 2 0 373.541 3.019 20 0 FGADRP Fc1ccc([C@@H]2CC[NH2+]C[C@@H]2C[NH2+][C@H]2CCO[C@@H](C(F)(F)F)C2)cc1 ZINC000423476217 500377568 /nfs/dbraw/zinc/37/75/68/500377568.db2.gz QXODQAJTSUILJN-BSWAZPDLSA-N 2 0 360.395 3.218 20 0 FGADRP CC1(C)[C@H]([NH2+]C2CCC([NH+]3CCNCC3)CC2)C[C@@H]1Oc1ccccc1 ZINC000423510312 500380641 /nfs/dbraw/zinc/38/06/41/500380641.db2.gz NLFOMOSLNOBHES-FMFRFZGHSA-N 2 0 357.542 3.039 20 0 FGADRP C[C@@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)c1ccc(Br)s1 ZINC000423512225 500380983 /nfs/dbraw/zinc/38/09/83/500380983.db2.gz OKCHJSPCEIPEOX-IYXRBSQSSA-N 2 0 372.376 3.378 20 0 FGADRP COc1ccsc1[C@@H](C)[NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1 ZINC000423544727 500383727 /nfs/dbraw/zinc/38/37/27/500383727.db2.gz CILJRZUWBCSGRD-MRXNPFEDSA-N 2 0 359.539 3.401 20 0 FGADRP COc1ccc([C@H](C)[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c(Br)c1 ZINC000423547971 500384449 /nfs/dbraw/zinc/38/44/49/500384449.db2.gz QRHZRZWKYCOPTA-RFQIPJPRSA-N 2 0 353.304 3.496 20 0 FGADRP C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000423554543 500384874 /nfs/dbraw/zinc/38/48/74/500384874.db2.gz WTSPWNHMDGHUFE-JOCBIADPSA-N 2 0 363.933 3.055 20 0 FGADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)[C@]1(c2ccccc2)CC[NH2+]C1 ZINC000423738219 500398070 /nfs/dbraw/zinc/39/80/70/500398070.db2.gz FXZYKUMCUXUPHE-HSZRJFAPSA-N 2 0 365.521 3.028 20 0 FGADRP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)[C@@H]([NH3+])CC2CCCCC2)CC1 ZINC000423841894 500410473 /nfs/dbraw/zinc/41/04/73/500410473.db2.gz GKTYLVZRKLNNDP-JXFKEZNVSA-N 2 0 358.530 3.021 20 0 FGADRP CCC(CC)(C[NH3+])C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000423896100 500416731 /nfs/dbraw/zinc/41/67/31/500416731.db2.gz GHHUUFUGLLYGIC-VQTJNVASSA-N 2 0 357.542 3.265 20 0 FGADRP [NH3+]CC1(C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)CCCC1 ZINC000423900489 500417304 /nfs/dbraw/zinc/41/73/04/500417304.db2.gz KDHRCCNQRWJHLT-WOJBJXKFSA-N 2 0 355.526 3.019 20 0 FGADRP CC(C)[C@@H](Cc1ccccc1)[NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000427722778 500424370 /nfs/dbraw/zinc/42/43/70/500424370.db2.gz VPTHMEVKMXVWEG-OAQYLSRUSA-N 2 0 373.585 3.470 20 0 FGADRP CC[NH2+]CC1CC[NH+](CCOc2cc(F)cc(Br)c2)CC1 ZINC000420293366 500434887 /nfs/dbraw/zinc/43/48/87/500434887.db2.gz QWFXISIPNREIDQ-UHFFFAOYSA-N 2 0 359.283 3.289 20 0 FGADRP C[C@H]([NH3+])C1CC[NH+]([C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)CC1 ZINC000420299416 500436724 /nfs/dbraw/zinc/43/67/24/500436724.db2.gz UAGYUSJZSKEAKK-ZBEGNZNMSA-N 2 0 356.297 3.158 20 0 FGADRP COc1ccc([C@H](C[NH3+])C[N@@H+]2CCC[C@H]2c2ccc3c(c2)OCO3)cc1 ZINC000420302548 500437852 /nfs/dbraw/zinc/43/78/52/500437852.db2.gz MOMSUPLVGUHOHZ-MJGOQNOKSA-N 2 0 354.450 3.303 20 0 FGADRP C[C@H](C(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1)c1cccc(F)c1 ZINC000424017773 500437972 /nfs/dbraw/zinc/43/79/72/500437972.db2.gz HICKHLNWYNMJTI-KRWDZBQOSA-N 2 0 369.484 3.039 20 0 FGADRP COCc1cccc(OCC2(C[N@@H+]3C[C@@H]4CCC[C@H]([NH3+])[C@H]4C3)CCC2)c1 ZINC000420314227 500439969 /nfs/dbraw/zinc/43/99/69/500439969.db2.gz VJLJOMZQQMSJFZ-JBACZVJFSA-N 2 0 358.526 3.441 20 0 FGADRP COc1ccc(-c2noc([C@H](C)[NH+]3CCC([C@H]4CC[NH2+]C4)CC3)n2)cc1 ZINC000420318521 500440664 /nfs/dbraw/zinc/44/06/64/500440664.db2.gz QBKWZHJULPOASE-YOEHRIQHSA-N 2 0 356.470 3.128 20 0 FGADRP COc1ccc([C@@H](C[NH3+])C[N@@H+](Cc2cccs2)C[C@@H]2CCCO2)cc1 ZINC000420327286 500441302 /nfs/dbraw/zinc/44/13/02/500441302.db2.gz YDQSCKDTZODBPW-HKUYNNGSSA-N 2 0 360.523 3.480 20 0 FGADRP CC[N@@H+](Cc1ccc(OC)c(OC)c1)C[C@H](C[NH3+])c1ccc(OC)cc1 ZINC000420323438 500441629 /nfs/dbraw/zinc/44/16/29/500441629.db2.gz UGPZMZGMPYMQTG-SFHVURJKSA-N 2 0 358.482 3.277 20 0 FGADRP CCOC(=O)c1oc2ccccc2c1C[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420323696 500441796 /nfs/dbraw/zinc/44/17/96/500441796.db2.gz GTRKEDXINFFDQM-CVEARBPZSA-N 2 0 356.466 3.431 20 0 FGADRP O=C(c1cccc(C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)c1)N1CCCCC1 ZINC000420330739 500442435 /nfs/dbraw/zinc/44/24/35/500442435.db2.gz BPNQMKZSXCUMAR-NRFANRHFSA-N 2 0 355.526 3.277 20 0 FGADRP O=C1[C@@H]([NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)CCN1c1ccc(F)c(Cl)c1 ZINC000420330343 500442481 /nfs/dbraw/zinc/44/24/81/500442481.db2.gz BASNNFHLQJQHCW-ROUUACIJSA-N 2 0 365.880 3.048 20 0 FGADRP Clc1ccc(-c2noc(CC[N@@H+]3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)n2)cc1 ZINC000420328846 500442585 /nfs/dbraw/zinc/44/25/85/500442585.db2.gz NCJAZGRHXBJNBF-HZPDHXFCSA-N 2 0 360.889 3.254 20 0 FGADRP COc1ccc([C@H](C[NH3+])C[N@@H+](Cc2cccs2)C[C@@H]2CCCO2)cc1 ZINC000420327290 500442815 /nfs/dbraw/zinc/44/28/15/500442815.db2.gz YDQSCKDTZODBPW-MJGOQNOKSA-N 2 0 360.523 3.480 20 0 FGADRP Brc1ccc(OCC[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000420330701 500442882 /nfs/dbraw/zinc/44/28/82/500442882.db2.gz BFNSSTIAHRCJBB-GJZGRUSLSA-N 2 0 353.304 3.149 20 0 FGADRP Brc1cccc(OCC[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000420338348 500443755 /nfs/dbraw/zinc/44/37/55/500443755.db2.gz XUYGNTUYAMQKHA-GJZGRUSLSA-N 2 0 353.304 3.149 20 0 FGADRP CC(C)[N@H+](C)CCNC(=O)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000431929093 500444434 /nfs/dbraw/zinc/44/44/34/500444434.db2.gz XPNHKNBLKUAKOU-UHFFFAOYSA-N 2 0 372.557 3.024 20 0 FGADRP C[C@H](C(=O)N[C@@H](C)c1ccc(Cl)cc1)[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000420342406 500444572 /nfs/dbraw/zinc/44/45/72/500444572.db2.gz PINZQJHCEYHOND-KHYOSLBOSA-N 2 0 363.933 3.370 20 0 FGADRP O=C1[C@@H]([NH+]2CCC([C@H]3CCC[NH2+]3)CC2)CCN1c1ccc(Cl)c(F)c1 ZINC000420342623 500444639 /nfs/dbraw/zinc/44/46/39/500444639.db2.gz XHYDLVPYKVIKGX-MSOLQXFVSA-N 2 0 365.880 3.048 20 0 FGADRP C[C@H]1CC[N@H+](CCC(=O)NC(c2ccccc2)c2ccccc2)C[C@@H]1C[NH3+] ZINC000420400153 500455218 /nfs/dbraw/zinc/45/52/18/500455218.db2.gz IJEATHPHJPYQKL-RXVVDRJESA-N 2 0 365.521 3.199 20 0 FGADRP COc1cc2[nH+]ccc(N3CC[C@@H]4C[NH2+]C[C@@H]4C3)c2cc1Br ZINC000424407886 500498636 /nfs/dbraw/zinc/49/86/36/500498636.db2.gz CRHCPBAKHQTSOK-VXGBXAGGSA-N 2 0 362.271 3.052 20 0 FGADRP Cc1cc(C[NH3+])cc(NC(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2)c1 ZINC000424448920 500507022 /nfs/dbraw/zinc/50/70/22/500507022.db2.gz ZENFSYGAXGRNBO-UHFFFAOYSA-N 2 0 358.461 3.189 20 0 FGADRP CC1CCN(Cc2csc(NC(=O)CN3CC[C@@H]4CCC[C@@H]43)n2)CC1 ZINC000428432510 500508977 /nfs/dbraw/zinc/50/89/77/500508977.db2.gz ZGDPPSQYQXTPJF-RDJZCZTQSA-N 2 0 362.543 3.188 20 0 FGADRP CC1CCN(Cc2csc(NC(=O)CN3CC[C@@H]4CCC[C@H]43)n2)CC1 ZINC000428432508 500509334 /nfs/dbraw/zinc/50/93/34/500509334.db2.gz ZGDPPSQYQXTPJF-DOTOQJQBSA-N 2 0 362.543 3.188 20 0 FGADRP CC[NH+](CC)[C@H](C(=O)N[C@H]1CC[NH2+]C[C@H]1C)c1cccc(C(F)(F)F)c1 ZINC000432521625 500526647 /nfs/dbraw/zinc/52/66/47/500526647.db2.gz ZCJGENYQPLCINZ-COXVUDFISA-N 2 0 371.447 3.203 20 0 FGADRP CC[NH+]1CCC(N2CCC[N@H+](CCSc3ccccc3F)CC2)CC1 ZINC000420985808 500549048 /nfs/dbraw/zinc/54/90/48/500549048.db2.gz WYDBTMFWKAQMCK-UHFFFAOYSA-N 2 0 365.562 3.410 20 0 FGADRP CC[NH+]1CCC(N2CCC[N@H+](CCOc3c(C)cccc3C)CC2)CC1 ZINC000421014382 500554389 /nfs/dbraw/zinc/55/43/89/500554389.db2.gz SDZJABWGKWJCCS-UHFFFAOYSA-N 2 0 359.558 3.174 20 0 FGADRP C[N@H+](CCCNC(=O)C1CCC1)[C@@H]1CC[C@H]2C[NH+](Cc3ccccc3)C[C@H]21 ZINC000432797205 500565540 /nfs/dbraw/zinc/56/55/40/500565540.db2.gz KLZZBVKGGHQWQR-BHDDXSALSA-N 2 0 369.553 3.135 20 0 FGADRP C[NH+](C)CC1CCC(NC(=O)N2CC[NH+](CC3CCCCC3)CC2)CC1 ZINC000442252087 500575942 /nfs/dbraw/zinc/57/59/42/500575942.db2.gz SHDGSZCVTPZBFW-UHFFFAOYSA-N 2 0 364.578 3.014 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)[C@@H]([NH3+])Cc2ccccc2)CC1 ZINC000573494539 506203995 /nfs/dbraw/zinc/20/39/95/506203995.db2.gz PCYHMWSJPHVQIQ-NQIIRXRSSA-N 2 0 357.542 3.060 20 0 FGADRP Cc1ccc(NC(=O)CC[N@@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)nc1 ZINC000447300582 500587415 /nfs/dbraw/zinc/58/74/15/500587415.db2.gz DJYNGPJWUXWCHJ-FQEVSTJZSA-N 2 0 366.509 3.173 20 0 FGADRP OC[C@H](Cc1ccccc1)[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000437076625 500599357 /nfs/dbraw/zinc/59/93/57/500599357.db2.gz VPYIKTINHZBOTH-NEWJYFPISA-N 2 0 364.533 3.480 20 0 FGADRP CN(CCC[NH+]1CCCC1)C(=O)NCC[NH+]1CCC2(CCCCC2)CC1 ZINC000442601961 500603405 /nfs/dbraw/zinc/60/34/05/500603405.db2.gz UUOWQRIOPHAFBS-UHFFFAOYSA-N 2 0 364.578 3.160 20 0 FGADRP CC[NH+]1CCN(c2ccc(C[NH2+]C3CCC(C(F)F)CC3)cn2)CC1 ZINC000442721348 500614815 /nfs/dbraw/zinc/61/48/15/500614815.db2.gz TZGUSTNAUAWKLX-UHFFFAOYSA-N 2 0 352.473 3.137 20 0 FGADRP CCc1ccc([C@H](CN2CCOCC2)[NH2+]CC2CC[NH+](C3CC3)CC2)cc1 ZINC000447570691 500626812 /nfs/dbraw/zinc/62/68/12/500626812.db2.gz HHOQBKBJGQIKAQ-QHCPKHFHSA-N 2 0 371.569 3.086 20 0 FGADRP Cc1nc(-c2ccccc2F)sc1[C@@H](C)[NH2+]CCOCC[NH+](C)C ZINC000447592855 500630480 /nfs/dbraw/zinc/63/04/80/500630480.db2.gz OCPIXIRDSMREPC-CYBMUJFWSA-N 2 0 351.491 3.486 20 0 FGADRP [NH3+]C1CC[NH+](CCCC(=O)N[C@@H]2CCCC[C@@H]2Cc2ccccc2)CC1 ZINC000433127698 500631257 /nfs/dbraw/zinc/63/12/57/500631257.db2.gz IXYUPGQOWBAZEM-TZIWHRDSSA-N 2 0 357.542 3.107 20 0 FGADRP [NH3+]C1CC[NH+](CCCC(=O)NC2(c3cccc(Cl)c3)CCCC2)CC1 ZINC000433139813 500633516 /nfs/dbraw/zinc/63/35/16/500633516.db2.gz CLDUKWOTEFNQOM-UHFFFAOYSA-N 2 0 363.933 3.429 20 0 FGADRP Cc1ccccc1C1CC(N(C(=O)CCC[NH+]2CCC([NH3+])CC2)C2CC2)C1 ZINC000433137887 500633728 /nfs/dbraw/zinc/63/37/28/500633728.db2.gz VNMYLCAXAOAHCD-UHFFFAOYSA-N 2 0 369.553 3.435 20 0 FGADRP CC(NC(=O)CCC[NH+]1CCC([NH3+])CC1)(c1ccccc1)c1ccccc1 ZINC000433142288 500634535 /nfs/dbraw/zinc/63/45/35/500634535.db2.gz SOWIEZVJPBABHE-UHFFFAOYSA-N 2 0 365.521 3.270 20 0 FGADRP COC[C@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)c1cccc(C(F)(F)F)c1 ZINC000442876085 500637901 /nfs/dbraw/zinc/63/79/01/500637901.db2.gz QIZNDSPBYHBTHX-KRWDZBQOSA-N 2 0 373.463 3.009 20 0 FGADRP C[C@@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)c1ccc(F)c(Br)c1 ZINC000442875955 500637909 /nfs/dbraw/zinc/63/79/09/500637909.db2.gz PYSMBNJDOKKGKT-CYBMUJFWSA-N 2 0 372.326 3.265 20 0 FGADRP COc1ccc(C[NH+]2CCC(C[NH+](C)C)CC2)c(OCc2cccnc2)c1 ZINC000447798468 500663455 /nfs/dbraw/zinc/66/34/55/500663455.db2.gz WWNAEJSSUXEYCT-UHFFFAOYSA-N 2 0 369.509 3.443 20 0 FGADRP C[C@H](NC(=O)[C@H](C)[N@@H+]1CCC[C@H](CC[NH3+])C1)c1ccc2c(c1)CCCC2 ZINC000443054784 500669619 /nfs/dbraw/zinc/66/96/19/500669619.db2.gz AEJUAKIJNCFECX-OKZBNKHCSA-N 2 0 357.542 3.192 20 0 FGADRP [NH3+]CC[C@H]1CCC[N@H+](CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000443067393 500673498 /nfs/dbraw/zinc/67/34/98/500673498.db2.gz GLWAYFCNDRMNEC-LLVKDONJSA-N 2 0 363.811 3.358 20 0 FGADRP c1ccc(COc2ccc(C[N@@H+]3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)cc2)nc1 ZINC000573564647 506212542 /nfs/dbraw/zinc/21/25/42/506212542.db2.gz HRVNAXHTILREGU-WOJBJXKFSA-N 2 0 351.494 3.482 20 0 FGADRP C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000447993108 500702822 /nfs/dbraw/zinc/70/28/22/500702822.db2.gz YLJZHBSRJNTUDQ-IBGZPJMESA-N 2 0 364.578 3.061 20 0 FGADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)NC[C@H](c2ccsc2)[NH+](C)C)C1 ZINC000448209493 500733677 /nfs/dbraw/zinc/73/36/77/500733677.db2.gz RJHODYVXDSZYRV-SJLPKXTDSA-N 2 0 366.575 3.018 20 0 FGADRP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)NCCC[NH+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000448214044 500734282 /nfs/dbraw/zinc/73/42/82/500734282.db2.gz PABTYKHVAJKPJU-ZCNNSNEGSA-N 2 0 366.594 3.022 20 0 FGADRP C[N@H+](CC[C@@H]1CCCC[NH+]1C)C[C@H](O)Cc1ccc(C(F)(F)F)cc1 ZINC000438170455 500749486 /nfs/dbraw/zinc/74/94/86/500749486.db2.gz XVEBOVNVMKCYQF-ZWKOTPCHSA-N 2 0 358.448 3.415 20 0 FGADRP C[N@H+](CC[C@@H]1CCCC[NH+]1C)C[C@@H](O)Cc1ccc(C(F)(F)F)cc1 ZINC000438170454 500749534 /nfs/dbraw/zinc/74/95/34/500749534.db2.gz XVEBOVNVMKCYQF-ROUUACIJSA-N 2 0 358.448 3.415 20 0 FGADRP Cc1ccc(Cl)c(OC[C@H](O)C[NH2+]C[C@H]2CCC[N@@H+](C(C)C)C2)c1 ZINC000570710423 506214785 /nfs/dbraw/zinc/21/47/85/506214785.db2.gz ZTLIRGDSUWHROT-IAGOWNOFSA-N 2 0 354.922 3.098 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NCC2([NH+](C)C)CCCCCC2)[C@H](C)C1 ZINC000448465230 500762538 /nfs/dbraw/zinc/76/25/38/500762538.db2.gz HNVIBFUNWSJZLC-MSOLQXFVSA-N 2 0 352.567 3.013 20 0 FGADRP CC[NH+](CC)CC1CCN(C(=O)NC[C@@H]2CCC[N@H+](CC(C)C)C2)CC1 ZINC000448471344 500763021 /nfs/dbraw/zinc/76/30/21/500763021.db2.gz KLNWJDTUZRRZNJ-FQEVSTJZSA-N 2 0 366.594 3.118 20 0 FGADRP C[NH2+]CCc1ccccc1C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000448551535 500771253 /nfs/dbraw/zinc/77/12/53/500771253.db2.gz VYQWRKJYTYKKHK-OAQYLSRUSA-N 2 0 351.494 3.015 20 0 FGADRP CC(C)CN(CC[NH+](C)C)C(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000438347334 500774628 /nfs/dbraw/zinc/77/46/28/500774628.db2.gz SPGOMSIXFHKEMK-LJQANCHMSA-N 2 0 352.567 3.013 20 0 FGADRP C[C@@H](C(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000444024661 500794061 /nfs/dbraw/zinc/79/40/61/500794061.db2.gz XQWVJJKKSHFBEO-OTWHNJEPSA-N 2 0 357.542 3.371 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@@H]1C[C@H]1c1sccc1C ZINC000438909485 500833961 /nfs/dbraw/zinc/83/39/61/500833961.db2.gz DESFMTGRTNOXPC-KZNAEPCWSA-N 2 0 363.571 3.035 20 0 FGADRP CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000438970636 500842376 /nfs/dbraw/zinc/84/23/76/500842376.db2.gz FLLXLHGYRONVLF-QZTJIDSGSA-N 2 0 366.575 3.161 20 0 FGADRP O=C(NC[C@H]1CCCC[NH+]1C1CC1)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000434446355 500843814 /nfs/dbraw/zinc/84/38/14/500843814.db2.gz TVBIEHITMSBLCS-GHTZIAJQSA-N 2 0 373.516 3.171 20 0 FGADRP C[C@@H]1[NH2+]CCN(C(=O)c2cccc(C[N@H+](C)Cc3ccccc3)c2)[C@H]1C ZINC000434673559 500877360 /nfs/dbraw/zinc/87/73/60/500877360.db2.gz QWJZBDKEDQMESD-ROUUACIJSA-N 2 0 351.494 3.141 20 0 FGADRP Cc1cccc(NC(=O)[C@H](C)N(C)C[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)c1 ZINC000434747466 500888462 /nfs/dbraw/zinc/88/84/62/500888462.db2.gz PCVIZTHSNYLXIG-CUWPLCDZSA-N 2 0 366.509 3.342 20 0 FGADRP COc1cccc2c(C[N@H+](C)CC3CC[NH+](C[C@@H](C)O)CC3)cccc12 ZINC000449024666 500901713 /nfs/dbraw/zinc/90/17/13/500901713.db2.gz CSNKOLHONLDXII-QGZVFWFLSA-N 2 0 356.510 3.373 20 0 FGADRP COc1cccc2c(C[NH2+]C[C@H](C(C)C)N3CC[NH+](C)CC3)cccc12 ZINC000449072669 500917264 /nfs/dbraw/zinc/91/72/64/500917264.db2.gz GCGZEGRBXYEQQF-OAQYLSRUSA-N 2 0 355.526 3.210 20 0 FGADRP COc1cc2ccccc2cc1C[NH2+]C[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC000449072989 500917578 /nfs/dbraw/zinc/91/75/78/500917578.db2.gz HDOXSNASXBFBCP-NRFANRHFSA-N 2 0 355.526 3.210 20 0 FGADRP CC[NH+]1CCN(Cc2ccc(C[NH2+]Cc3cc(F)cc(OC)c3)cc2)CC1 ZINC000449083113 500920081 /nfs/dbraw/zinc/92/00/81/500920081.db2.gz SALLYAUUAORZLD-UHFFFAOYSA-N 2 0 371.500 3.262 20 0 FGADRP CSCC1CCC([NH2+]Cc2ccc(CN3CC[NH+](C)CC3)cc2)CC1 ZINC000449084012 500921260 /nfs/dbraw/zinc/92/12/60/500921260.db2.gz WDBZQQCVNICPJJ-UHFFFAOYSA-N 2 0 361.599 3.445 20 0 FGADRP C[C@@H](C[NH2+]Cc1cccnc1N1CC[NH+](C)CC1)c1cc(F)cc(F)c1 ZINC000449103684 500925458 /nfs/dbraw/zinc/92/54/58/500925458.db2.gz BUOGUBJLGZFBKQ-HNNXBMFYSA-N 2 0 360.452 3.005 20 0 FGADRP C[C@@H]([NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1)[C@H](C)N1CCOCC1 ZINC000449132778 500931997 /nfs/dbraw/zinc/93/19/97/500931997.db2.gz BKSSSBIZJJUMQP-MSOLQXFVSA-N 2 0 353.595 3.364 20 0 FGADRP C[C@@H]1C[C@H]([NH2+]Cc2cc(C(F)(F)F)ccc2N2CC[NH+](C)CC2)[C@H](C)O1 ZINC000449155099 500936851 /nfs/dbraw/zinc/93/68/51/500936851.db2.gz OYUMRQRWHBNJAQ-KEYYUXOJSA-N 2 0 371.447 3.113 20 0 FGADRP COc1cccc(Sc2ccccc2C[NH2+]CC2(O)CC[NH+](C)CC2)c1 ZINC000449166011 500939065 /nfs/dbraw/zinc/93/90/65/500939065.db2.gz YSSSBCHLBCEUDU-UHFFFAOYSA-N 2 0 372.534 3.393 20 0 FGADRP CC[NH+]1CCN(CCC[NH2+]C2CC[NH+](C(C)(C)CC(C)(C)C)CC2)CC1 ZINC000449218801 500950328 /nfs/dbraw/zinc/95/03/28/500950328.db2.gz KXHMOFLNELUBFO-UHFFFAOYSA-N 3 0 366.638 3.283 20 0 FGADRP C[C@@H]1C[C@@H](NC(=O)c2ccccc2OCC[N@H+]2CCCC[C@H]2C)CC[NH+]1C ZINC000607689583 506226354 /nfs/dbraw/zinc/22/63/54/506226354.db2.gz DHSGWOPTECHZBE-QRVBRYPASA-N 2 0 373.541 3.152 20 0 FGADRP C[C@H](C[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1)c1cc(F)cc(F)c1 ZINC000449240222 500955206 /nfs/dbraw/zinc/95/52/06/500955206.db2.gz YKRCWYSEACNFIL-QGZVFWFLSA-N 2 0 365.512 3.418 20 0 FGADRP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@@H](CO)Cc2ccccc2)CC1 ZINC000449253037 500958109 /nfs/dbraw/zinc/95/81/09/500958109.db2.gz WSLHJSLREHKHMD-WMZHIEFXSA-N 2 0 352.522 3.275 20 0 FGADRP COc1cccc(-c2nn(C(C)(C)C)cc2C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c1 ZINC000435380237 500963841 /nfs/dbraw/zinc/96/38/41/500963841.db2.gz QFYTXNDEBADGJJ-DBVUQKKJSA-N 2 0 368.525 3.483 20 0 FGADRP CCOc1c(Br)cc(C[N@H+](C)[C@H]2CCC[NH2+]CC2)cc1OC ZINC000435435236 500976340 /nfs/dbraw/zinc/97/63/40/500976340.db2.gz XMGYFWJEDFWIKY-AWEZNQCLSA-N 2 0 371.319 3.430 20 0 FGADRP Cc1cc(C[NH+]2CCC(OCCN3C[C@H](C)O[C@@H](C)C3)CC2)cs1 ZINC000449325563 500977251 /nfs/dbraw/zinc/97/72/51/500977251.db2.gz NOEPJGAZUQWDQQ-HOTGVXAUSA-N 2 0 352.544 3.147 20 0 FGADRP O=C(NCc1ccccc1C[NH+]1CCCC1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000440155785 500982391 /nfs/dbraw/zinc/98/23/91/500982391.db2.gz BLRIYTVCZOTABV-NRFANRHFSA-N 2 0 355.526 3.306 20 0 FGADRP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC000440263812 500992496 /nfs/dbraw/zinc/99/24/96/500992496.db2.gz GEIFEWNSTDVOAM-RBBKRZOGSA-N 2 0 369.553 3.374 20 0 FGADRP CC[NH+]1CCN(c2ccccc2C[NH2+]CCCc2ncccc2C)CC1 ZINC000449485130 501014184 /nfs/dbraw/zinc/01/41/84/501014184.db2.gz OZWQRPGOGDFBBD-UHFFFAOYSA-N 2 0 352.526 3.254 20 0 FGADRP CC1(C)CCC[N@H+](CCNC(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000436113277 501072483 /nfs/dbraw/zinc/07/24/83/501072483.db2.gz VCKYVZOCYMPRCC-UHFFFAOYSA-N 2 0 372.557 3.072 20 0 FGADRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000449751602 501075823 /nfs/dbraw/zinc/07/58/23/501075823.db2.gz LHSWDPNYAOCMOE-UHFFFAOYSA-N 2 0 359.436 3.091 20 0 FGADRP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@@H](CCCc3ccccc3)C2)CC1 ZINC000441185147 501099980 /nfs/dbraw/zinc/09/99/80/501099980.db2.gz YQWPFDHJGUPTJY-OAQYLSRUSA-N 2 0 371.569 3.322 20 0 FGADRP CC(C)[NH+](Cc1cc(C[N@@H+](C[C@@H](C)O)C(C)C)ccc1F)C[C@H](C)O ZINC000450395905 501111278 /nfs/dbraw/zinc/11/12/78/501111278.db2.gz UTUMQGAXTBQGHR-SJORKVTESA-N 2 0 354.510 3.008 20 0 FGADRP CC(C)[NH+](Cc1cc(C[N@@H+](C[C@H](C)O)C(C)C)ccc1F)C[C@@H](C)O ZINC000450395902 501111434 /nfs/dbraw/zinc/11/14/34/501111434.db2.gz UTUMQGAXTBQGHR-DLBZAZTESA-N 2 0 354.510 3.008 20 0 FGADRP CCc1ccc2[nH+]ccc(N3CC[C@H]([NH+]4CCN(C)CC4)[C@H](C)C3)c2c1 ZINC000450403510 501113339 /nfs/dbraw/zinc/11/33/39/501113339.db2.gz AXIXWNOLUBVYOJ-UTKZUKDTSA-N 2 0 352.526 3.259 20 0 FGADRP C[N@@H+]1CCN(CC[NH2+]Cc2cc(Cl)ccc2OCC2CC2)CC1(C)C ZINC000441347242 501124675 /nfs/dbraw/zinc/12/46/75/501124675.db2.gz LQVJWSTUVLEUHC-UHFFFAOYSA-N 2 0 365.949 3.244 20 0 FGADRP C[N@@H+](CCC(=O)N[C@@H]1CCCc2ccccc21)CC[C@@H]1CCCC[NH+]1C ZINC000441367103 501128267 /nfs/dbraw/zinc/12/82/67/501128267.db2.gz GZCGHAOTPHNDTP-PZJWPPBQSA-N 2 0 357.542 3.377 20 0 FGADRP Cc1ccc(N2CCC([NH2+]C3CCN(c4cc[nH+]cc4)CC3)CC2)nc1 ZINC000436472240 501132899 /nfs/dbraw/zinc/13/28/99/501132899.db2.gz XWWCXPOCHPJBQM-UHFFFAOYSA-N 2 0 351.498 3.012 20 0 FGADRP O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)[C@H]1C[NH2+]Cc2ccccc21 ZINC000582466767 506236937 /nfs/dbraw/zinc/23/69/37/506236937.db2.gz MDVYWTBGUOUFAB-QFIPXVFZSA-N 2 0 363.505 3.176 20 0 FGADRP COc1ccc([C@H](CCn2cncn2)[NH2+]CC2(C[NH+](C)C)CCCC2)cc1 ZINC000446881978 501176903 /nfs/dbraw/zinc/17/69/03/501176903.db2.gz YECHXXNHWNUFPS-FQEVSTJZSA-N 2 0 371.529 3.130 20 0 FGADRP COC[C@H]([NH2+]CC[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)C1CCOCC1 ZINC000446921768 501181191 /nfs/dbraw/zinc/18/11/91/501181191.db2.gz UPIPUOKKAZMGHG-CBQOVEMMSA-N 2 0 360.542 3.318 20 0 FGADRP O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000592774508 506239252 /nfs/dbraw/zinc/23/92/52/506239252.db2.gz UYPMPVDUALIRMI-VQTJNVASSA-N 2 0 355.526 3.032 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)c2sccc2C[NH+](C)C)C1 ZINC000447090432 501203902 /nfs/dbraw/zinc/20/39/02/501203902.db2.gz LORRFUGYQXRDQY-IYBDPMFKSA-N 2 0 351.560 3.298 20 0 FGADRP CC[NH+]1CCN([C@H]2CCN(c3cc[nH+]c4ccc(OC(C)C)cc43)C2)CC1 ZINC000450317993 501232740 /nfs/dbraw/zinc/23/27/40/501232740.db2.gz METPFWILLAGQBJ-SFHVURJKSA-N 2 0 368.525 3.238 20 0 FGADRP C[C@@H]([NH2+]Cc1cc(C(F)(F)F)ccc1N1CC[NH+](C)CC1)c1cn[nH]c1 ZINC000453113449 501271769 /nfs/dbraw/zinc/27/17/69/501271769.db2.gz DXPFGNNOZRHUDV-CYBMUJFWSA-N 2 0 367.419 3.031 20 0 FGADRP c1[nH]nc2c1CC[C@@H]([NH2+][C@H]1CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@H]31)C2 ZINC000453125831 501273998 /nfs/dbraw/zinc/27/39/98/501273998.db2.gz ATDIQHFTPADGAR-FCIYXJNOSA-N 2 0 350.510 3.300 20 0 FGADRP c1ccc(C[N@H+]2CC[C@H]([NH2+]CCCO[C@@H]3CCOC3)[C@H]3CCC[C@@H]32)cc1 ZINC000453134703 501276630 /nfs/dbraw/zinc/27/66/30/501276630.db2.gz SMNGFVOBROFRTO-CZYKHXBRSA-N 2 0 358.526 3.215 20 0 FGADRP C[C@](O)(C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21)C(F)(F)F ZINC000453165141 501282332 /nfs/dbraw/zinc/28/23/32/501282332.db2.gz AYWSDXRCCICYDY-TVFCKZIOSA-N 2 0 356.432 3.333 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N(C)[C@H]1CC[N@@H+](C(C)C)C1)c1ccsc1 ZINC000457695584 501289363 /nfs/dbraw/zinc/28/93/63/501289363.db2.gz VDMGPXCVKIVVLN-ZWKOTPCHSA-N 2 0 366.575 3.255 20 0 FGADRP Cc1c([C@@H](C)[NH2+]C[C@H]2CCCCN2CCO)cnn1-c1cc(C)ccc1C ZINC000453278819 501307096 /nfs/dbraw/zinc/30/70/96/501307096.db2.gz ZKDNYNPVMFOUAW-UYAOXDASSA-N 2 0 370.541 3.295 20 0 FGADRP CC[C@H]([NH2+][C@@H](CCC[NH+]1CCC(C)CC1)c1ccc(F)cc1)C(=O)NC ZINC000453396216 501324426 /nfs/dbraw/zinc/32/44/26/501324426.db2.gz HINOYXIOWZCDSV-PMACEKPBSA-N 2 0 363.521 3.493 20 0 FGADRP O=C(NCc1ccc2c[nH+]cn2c1)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000457973636 501347789 /nfs/dbraw/zinc/34/77/89/501347789.db2.gz JAQBCIYGYBJHPK-SFHVURJKSA-N 2 0 366.440 3.002 20 0 FGADRP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)NCC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000457978601 501348889 /nfs/dbraw/zinc/34/88/89/501348889.db2.gz KFAZPSZDGGVNBY-OAQYLSRUSA-N 2 0 372.557 3.023 20 0 FGADRP Cc1cc(Br)c(C[NH2+]C[C@H](C(C)C)N2CC[NH+](C)CC2)s1 ZINC000453586152 501354822 /nfs/dbraw/zinc/35/48/22/501354822.db2.gz RBOGKGYKTAIZNF-OAHLLOKOSA-N 2 0 374.392 3.181 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N1CCC[C@@H]([NH+]2CCCC2)C1)c1ccccc1 ZINC000611675180 506251209 /nfs/dbraw/zinc/25/12/09/506251209.db2.gz QUXOAKUJYJFQTL-NHCUHLMSSA-N 2 0 372.557 3.339 20 0 FGADRP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)N(CC[NH+](C)C)Cc1ccsc1 ZINC000458338266 501423246 /nfs/dbraw/zinc/42/32/46/501423246.db2.gz HQQYUBHOZWDSBN-IAGOWNOFSA-N 2 0 366.575 3.084 20 0 FGADRP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)NC2CC[NH+]([C@H](C)c3ccccc3)CC2)C1 ZINC000458416581 501439799 /nfs/dbraw/zinc/43/97/99/501439799.db2.gz QIXQCSUXIJMOEQ-WIYYLYMNSA-N 2 0 372.557 3.336 20 0 FGADRP C[C@@H]1C[C@@H](NC(=O)NC(C)(C)CCC[NH+](C)C)CC[N@@H+]1Cc1ccccc1 ZINC000458486395 501455515 /nfs/dbraw/zinc/45/55/15/501455515.db2.gz GPKCAXLTPUEFDT-QUCCMNQESA-N 2 0 374.573 3.459 20 0 FGADRP C[C@@H](CCNC(=O)N1CC[C@]2(C1)CCC[N@H+](C)C2)[NH+](C)Cc1ccccc1 ZINC000458508436 501462379 /nfs/dbraw/zinc/46/23/79/501462379.db2.gz OKNMJMTUVXAEBP-SIKLNZKXSA-N 2 0 372.557 3.024 20 0 FGADRP CC[C@H]1C[N@H+](CC)CCN1C(=O)N[C@H](C)c1ccc(-n2ccnc2C)cc1 ZINC000458535125 501467753 /nfs/dbraw/zinc/46/77/53/501467753.db2.gz PMBDCQMKXLJXOL-APWZRJJASA-N 2 0 369.513 3.367 20 0 FGADRP CCOC(=O)c1[nH]c(C)c(C[NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1C ZINC000598973580 506255329 /nfs/dbraw/zinc/25/53/29/506255329.db2.gz AZPOPJQLYKUTPZ-IBGZPJMESA-N 2 0 369.509 3.420 20 0 FGADRP C[C@H](CCNC(=O)N(CC[NH+](C)C)Cc1ccsc1)[NH+]1CCCCC1 ZINC000458670368 501503364 /nfs/dbraw/zinc/50/33/64/501503364.db2.gz WSEBSUSAMZWGPW-QGZVFWFLSA-N 2 0 366.575 3.086 20 0 FGADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CC(C)(C)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000452845174 501573000 /nfs/dbraw/zinc/57/30/00/501573000.db2.gz LAZLRKBMDYPTMG-NHCUHLMSSA-N 2 0 369.553 3.230 20 0 FGADRP CCC[N@@H+]1CC[C@H](CNC(=O)NCC2([NH+](C)Cc3ccccc3)CCC2)C1 ZINC000454588056 501585429 /nfs/dbraw/zinc/58/54/29/501585429.db2.gz PUGKJWLBCIUIGZ-HXUWFJFHSA-N 2 0 372.557 3.072 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)NCCCC[NH+](C)C1CC1 ZINC000454619997 501593726 /nfs/dbraw/zinc/59/37/26/501593726.db2.gz OMXNUJMEUJTZQN-WIYYLYMNSA-N 2 0 372.557 3.071 20 0 FGADRP CC(C)(C)CC(C)(C)[NH+]1CCN(C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000454619040 501594021 /nfs/dbraw/zinc/59/40/21/501594021.db2.gz ZXCOHTMTCXUKPV-QGZVFWFLSA-N 2 0 364.578 3.013 20 0 FGADRP Cc1ccc(NC2CCN(c3cc[nH+]cc3)CC2)c(OCC[NH+](C)C)c1 ZINC000459359722 501638744 /nfs/dbraw/zinc/63/87/44/501638744.db2.gz MNAYOGYGMPFODR-UHFFFAOYSA-N 2 0 354.498 3.411 20 0 FGADRP O=C1[C@H]([NH2+]C2CCN(c3cc[nH+]cc3)CC2)CCN1c1ccc(Cl)cc1 ZINC000459442401 501654375 /nfs/dbraw/zinc/65/43/75/501654375.db2.gz JLPFGAZDQWUOGC-LJQANCHMSA-N 2 0 370.884 3.099 20 0 FGADRP C[C@@H]1[C@H](NC(=O)NCCCCC[NH+]2CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000454960858 501662440 /nfs/dbraw/zinc/66/24/40/501662440.db2.gz MLUBABZHHYVHMN-TZIWHRDSSA-N 2 0 372.557 3.215 20 0 FGADRP Cn1c2ccccc2nc1CC[NH+]1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000459489704 501662598 /nfs/dbraw/zinc/66/25/98/501662598.db2.gz XIQBIWXSCUKYCR-UHFFFAOYSA-N 2 0 371.488 3.486 20 0 FGADRP CCOc1cc(C[NH2+]CC2(SC)CC[NH+](C)CC2)cc(Cl)c1O ZINC000459558404 501676406 /nfs/dbraw/zinc/67/64/06/501676406.db2.gz GCYOUMPKLOACBN-UHFFFAOYSA-N 2 0 358.935 3.361 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)NCC[C@H]1CCC[N@H+](C)C1)c1ccccc1 ZINC000457457431 501702054 /nfs/dbraw/zinc/70/20/54/501702054.db2.gz NQTKMAIVSPVTHG-QUCCMNQESA-N 2 0 360.546 3.101 20 0 FGADRP CCc1ccc([C@@H](CNC(=O)NC2CC[NH+](C3CCC3)CC2)[NH+](C)C)cc1 ZINC000457477542 501706558 /nfs/dbraw/zinc/70/65/58/501706558.db2.gz LNDBYIKVXWLVRZ-OAQYLSRUSA-N 2 0 372.557 3.168 20 0 FGADRP O=C(NCC[N@H+]1CC=CCC1)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000474249492 501759866 /nfs/dbraw/zinc/75/98/66/501759866.db2.gz RMHKAQKCYMZXLF-UHFFFAOYSA-N 2 0 370.541 3.124 20 0 FGADRP Cc1ccccc1-n1nccc1C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000474260932 501764787 /nfs/dbraw/zinc/76/47/87/501764787.db2.gz WYDBARAJMYIBTG-UHFFFAOYSA-N 2 0 368.525 3.258 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)c1ccc2c(c1)CC[NH2+]CC2)c1ccsc1 ZINC000474291962 501777654 /nfs/dbraw/zinc/77/76/54/501777654.db2.gz MTNANBOXJNRJIA-FQEVSTJZSA-N 2 0 371.550 3.249 20 0 FGADRP Cc1cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)ccc1I ZINC000467381975 501781784 /nfs/dbraw/zinc/78/17/84/501781784.db2.gz OBPFMBHLBTZHGT-LSDHHAIUSA-N 2 0 370.278 3.316 20 0 FGADRP Cc1ccccc1C[C@H](CO)[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000467384280 501783054 /nfs/dbraw/zinc/78/30/54/501783054.db2.gz WMMPVMWJZJFWGV-MOUTVQLLSA-N 2 0 364.533 3.399 20 0 FGADRP CC[NH+](CC)Cc1cccc(CNC(=O)c2ccc3c(c2)CC[NH2+]CC3)c1 ZINC000474312414 501786354 /nfs/dbraw/zinc/78/63/54/501786354.db2.gz LFHPJXOINNKDTH-UHFFFAOYSA-N 2 0 365.521 3.147 20 0 FGADRP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC2CC([NH+]3CCCCC3)C2)C1 ZINC000474339226 501796545 /nfs/dbraw/zinc/79/65/45/501796545.db2.gz VEEFYBAUVOQJIT-VIQWUECVSA-N 2 0 364.578 3.203 20 0 FGADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]C[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000481554676 501812798 /nfs/dbraw/zinc/81/27/98/501812798.db2.gz BFGZHXIXCFVAOI-RKVPGOIHSA-N 2 0 366.347 3.205 20 0 FGADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]C[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000481554674 501813375 /nfs/dbraw/zinc/81/33/75/501813375.db2.gz BFGZHXIXCFVAOI-IIDMSEBBSA-N 2 0 366.347 3.205 20 0 FGADRP C[C@H]1CCCC[N@@H+]1CCCNC(=O)NCCC[NH+](C)Cc1ccccc1 ZINC000611728252 506275239 /nfs/dbraw/zinc/27/52/39/506275239.db2.gz GUHWKHNQSRISBI-IBGZPJMESA-N 2 0 360.546 3.072 20 0 FGADRP Cc1ccc([C@@H](CCn2cncn2)[NH2+]CC(C)(C)C[NH+]2CCCC2)cc1 ZINC000477927256 501831113 /nfs/dbraw/zinc/83/11/13/501831113.db2.gz AEOLOMANOUYZOZ-HXUWFJFHSA-N 2 0 355.530 3.430 20 0 FGADRP CCOC[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(CN2CC[NH+](CC)CC2)cc1 ZINC000474464893 501845118 /nfs/dbraw/zinc/84/51/18/501845118.db2.gz VGDZSZTYXFPBHP-YADHBBJMSA-N 2 0 359.558 3.119 20 0 FGADRP CCCN(CC[NH+]1CCCCCC1)C(=O)NCCC1CC[NH+](CC)CC1 ZINC000460526984 501849575 /nfs/dbraw/zinc/84/95/75/501849575.db2.gz RPJRZYIKPTUPED-UHFFFAOYSA-N 2 0 366.594 3.406 20 0 FGADRP COC(=O)C[C@@H]1CC[C@@H]([NH2+]CC2CC[NH+](Cc3ccccc3)CC2)[C@H]1C ZINC000474631145 501901677 /nfs/dbraw/zinc/90/16/77/501901677.db2.gz MPUUYOZRESKBST-DZFGPLHGSA-N 2 0 358.526 3.466 20 0 FGADRP Cc1ccc(CCC[NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)cn1 ZINC000474801383 501957530 /nfs/dbraw/zinc/95/75/30/501957530.db2.gz RCPPKZRDOHGGLP-UHFFFAOYSA-N 2 0 353.510 3.069 20 0 FGADRP CNC(=O)C[C@H]([NH2+][C@H](C)c1ccc(OCC[NH+](C)C)cc1)c1ccccc1 ZINC000482070840 501964246 /nfs/dbraw/zinc/96/42/46/501964246.db2.gz FFGYCHYVRXFWPH-UTKZUKDTSA-N 2 0 369.509 3.155 20 0 FGADRP CC[N@@H+]1CC[C@H]([NH+](C)CCOc2ccc(Br)cc2)[C@H](C)C1 ZINC000471244292 501966186 /nfs/dbraw/zinc/96/61/86/501966186.db2.gz PFOXBUREHOXWQN-PBHICJAKSA-N 2 0 355.320 3.490 20 0 FGADRP C[C@@H]1CC[N@H+](CCOc2ccc(NC(=O)C[NH+]3CCC(C)CC3)cc2)C1 ZINC000474944604 502000358 /nfs/dbraw/zinc/00/03/58/502000358.db2.gz SRWDLFMMBYMVFL-GOSISDBHSA-N 2 0 359.514 3.078 20 0 FGADRP [NH3+]C[C@@H](Cc1ccccc1)[C@H]1CCCC[N@@H+]1CCC(=O)Nc1cccnc1 ZINC000478513530 502005892 /nfs/dbraw/zinc/00/58/92/502005892.db2.gz BZRBJHNWDPWXKA-TZIWHRDSSA-N 2 0 366.509 3.082 20 0 FGADRP CC(C)[NH+]1CCC(N2CC[NH+](CC[C@@H](C)OCc3ccccc3)CC2)CC1 ZINC000474966395 502006485 /nfs/dbraw/zinc/00/64/85/502006485.db2.gz KUPJPZBVZOLCHI-OAQYLSRUSA-N 2 0 373.585 3.472 20 0 FGADRP CC(C)N(CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)Cc1cccc(F)c1 ZINC000475029073 502027251 /nfs/dbraw/zinc/02/72/51/502027251.db2.gz BUXVSLZDGAPSPN-NRFANRHFSA-N 2 0 371.500 3.455 20 0 FGADRP CC(C)[C@@H]1CCC[C@H]1[NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000468426895 502055408 /nfs/dbraw/zinc/05/54/08/502055408.db2.gz FOIGPTMWYAMBGD-PCCBWWKXSA-N 2 0 357.542 3.298 20 0 FGADRP CCCN(CCC[NH+](C)C)C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000468433311 502057816 /nfs/dbraw/zinc/05/78/16/502057816.db2.gz VFGUJBKFVMPAEH-UHFFFAOYSA-N 2 0 360.546 3.156 20 0 FGADRP C/C=C\COc1ccc(CC[C@H](C)[NH2+]C[C@@H](C)N2CC[NH+](C)CC2)cc1 ZINC000468441137 502059899 /nfs/dbraw/zinc/05/98/99/502059899.db2.gz AYCIYTJPGZHJNF-DXPXIUTNSA-N 2 0 359.558 3.188 20 0 FGADRP Cc1ccc([C@H](C)[NH2+]CCCC[NH+]2CCN(c3ncccn3)CC2)cc1C ZINC000482447637 502069333 /nfs/dbraw/zinc/06/93/33/502069333.db2.gz DVLZOVYWSODUFZ-FQEVSTJZSA-N 2 0 367.541 3.346 20 0 FGADRP Cc1ccc([C@H](C)[NH2+]CCCC[NH+]2CCN(c3ncccn3)CC2)cc1 ZINC000482455782 502073828 /nfs/dbraw/zinc/07/38/28/502073828.db2.gz YSLISLIBQXSDBG-IBGZPJMESA-N 2 0 353.514 3.038 20 0 FGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]C[C@@H]2CCO[C@H](C)C2)CC1 ZINC000486199667 502080496 /nfs/dbraw/zinc/08/04/96/502080496.db2.gz PMXKCHJTEHCQBJ-FGTMMUONSA-N 2 0 363.521 3.433 20 0 FGADRP Cc1ccc2nc(CSCC(=O)NC[C@H]3[N@H+](C)CCCC3(C)C)cn2c1 ZINC000468495536 502080868 /nfs/dbraw/zinc/08/08/68/502080868.db2.gz IHGICDNSFAJENL-QGZVFWFLSA-N 2 0 374.554 3.113 20 0 FGADRP CCSc1cccc(C(=O)N(CC[NH+](C)C)C[C@H]2CCC[N@@H+]2CC)c1 ZINC000486269978 502105700 /nfs/dbraw/zinc/10/57/00/502105700.db2.gz LFBOANMYOMFCHV-GOSISDBHSA-N 2 0 363.571 3.287 20 0 FGADRP C[C@@H](C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)c1cn(C)c2ccccc12 ZINC000475330842 502138520 /nfs/dbraw/zinc/13/85/20/502138520.db2.gz DKEWRMPILZTKFM-GOSISDBHSA-N 2 0 372.557 3.014 20 0 FGADRP CCN(CCC[NH+](CC)CC)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000471845413 502152263 /nfs/dbraw/zinc/15/22/63/502152263.db2.gz OGAOZJCNKWEMOG-HXUWFJFHSA-N 2 0 360.546 3.024 20 0 FGADRP C[C@H](CSc1nnc([C@H](C)N(C)C)n1-c1ccc(F)cc1)[NH+](C)C ZINC000479201316 502191499 /nfs/dbraw/zinc/19/14/99/502191499.db2.gz DIKROYLTSCNTNW-OLZOCXBDSA-N 2 0 351.495 3.071 20 0 FGADRP CC[NH+](CC)Cc1ccc(CNC(=O)[C@H](C[NH3+])c2ccc(F)cc2)cc1 ZINC000479217275 502195185 /nfs/dbraw/zinc/19/51/85/502195185.db2.gz ABDYKOAFHRDVIP-HXUWFJFHSA-N 2 0 357.473 3.026 20 0 FGADRP CCN(CCC[NH+]1CCCC1)C(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000472089873 502227678 /nfs/dbraw/zinc/22/76/78/502227678.db2.gz XFZQUFPMCJCLKH-FPOVZHCZSA-N 2 0 372.557 3.024 20 0 FGADRP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCC1([NH+](C)C)CCCC1 ZINC000465406656 502252736 /nfs/dbraw/zinc/25/27/36/502252736.db2.gz JMSLEIQPWQWTDW-FQEVSTJZSA-N 2 0 372.557 3.024 20 0 FGADRP CCC[NH+]1CCC(NC(=O)NCC2([NH+]3CCCCC3)CCCCC2)CC1 ZINC000465436701 502261925 /nfs/dbraw/zinc/26/19/25/502261925.db2.gz FFVHRKCLYVUFOX-UHFFFAOYSA-N 2 0 364.578 3.349 20 0 FGADRP CC(C)[N@H+](C)C[C@H](C)NC(=O)N(CC[NH+](C)C)Cc1cccc(Cl)c1 ZINC000462014435 502274473 /nfs/dbraw/zinc/27/44/73/502274473.db2.gz ZIYFOZRMOPKIHV-INIZCTEOSA-N 2 0 368.953 3.142 20 0 FGADRP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NC[C@H](C(C)C)[NH+]1CCC(C)CC1 ZINC000465544394 502300492 /nfs/dbraw/zinc/30/04/92/502300492.db2.gz OKWWFJXCNKSNLT-VAMGGRTRSA-N 2 0 364.578 3.011 20 0 FGADRP Cc1cc2[nH]c(C[NH2+]Cc3ccnc(N4CC[NH+](C)CC4)c3)cc2c(C)c1 ZINC000479569910 502300788 /nfs/dbraw/zinc/30/07/88/502300788.db2.gz XEFWVCCGGHBTRR-UHFFFAOYSA-N 2 0 363.509 3.221 20 0 FGADRP C[C@@H]1C[N@@H+](Cc2ccc(C[NH2+]C/C=C/c3ccncc3)cc2)C[C@H](C)O1 ZINC000486965325 502317666 /nfs/dbraw/zinc/31/76/66/502317666.db2.gz IRMHQDJUEOSULE-HDAKTPJGSA-N 2 0 351.494 3.494 20 0 FGADRP CCOc1c(Cl)cccc1C[NH2+]CCCC[NH+]1CCN(CC)CC1 ZINC000486966118 502317974 /nfs/dbraw/zinc/31/79/74/502317974.db2.gz JUYGWFFRTWIZDA-UHFFFAOYSA-N 2 0 353.938 3.246 20 0 FGADRP CN(C)[C@H](C(=O)N1CCC[C@H](Cc2nccn2C)C1)c1cccc(Cl)c1 ZINC000483269899 502333730 /nfs/dbraw/zinc/33/37/30/502333730.db2.gz OGVOJSPPQQIZJU-BEFAXECRSA-N 2 0 374.916 3.158 20 0 FGADRP C[C@H](NC(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1)[C@@H](c1ccccc1)[NH+](C)C ZINC000479680744 502341621 /nfs/dbraw/zinc/34/16/21/502341621.db2.gz YFTUEAOXZSBUIC-DYXWJJEUSA-N 2 0 374.573 3.489 20 0 FGADRP O=C(N[C@@H]1CCC[N@H+](CCC2CC[NH2+]CC2)C1)c1ccc2ccccc2c1 ZINC000479693626 502347143 /nfs/dbraw/zinc/34/71/43/502347143.db2.gz XVBVLGIVXNSFGX-JOCHJYFZSA-N 2 0 365.521 3.424 20 0 FGADRP COc1cc(OC)cc(OCCC[N@H+](C)CC[C@@H]2CCCC[NH+]2C)c1 ZINC000472435527 502350417 /nfs/dbraw/zinc/35/04/17/502350417.db2.gz SQJIOXMSHYDBEN-KRWDZBQOSA-N 2 0 350.503 3.279 20 0 FGADRP C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000469255283 502352279 /nfs/dbraw/zinc/35/22/79/502352279.db2.gz FEPDSQLBKNMWPO-IRXDYDNUSA-N 2 0 352.482 3.240 20 0 FGADRP Cc1ccccc1[C@H]([C@H](C)NC(=O)N[C@@H](C)C[NH+]1CCCCC1)[NH+](C)C ZINC000479790066 502378276 /nfs/dbraw/zinc/37/82/76/502378276.db2.gz QRZMWPFVTFSSQM-BJLQDIEVSA-N 2 0 360.546 3.160 20 0 FGADRP CC1CC[NH+](CCCCNC(=O)N2CC([N@H+](C)Cc3ccccc3)C2)CC1 ZINC000479816081 502386352 /nfs/dbraw/zinc/38/63/52/502386352.db2.gz PCGLTBMGOCAUFS-UHFFFAOYSA-N 2 0 372.557 3.024 20 0 FGADRP C[C@H]1CCc2ccccc2[C@@H]1NC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000476162668 502402642 /nfs/dbraw/zinc/40/26/42/502402642.db2.gz OIGOVWYNTOADMY-GHTZIAJQSA-N 2 0 374.573 3.225 20 0 FGADRP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N[C@@H]1CC[NH+]2CCCC[C@@H]12 ZINC000469438429 502418951 /nfs/dbraw/zinc/41/89/51/502418951.db2.gz KLLJGCKAQUXSHU-HKBOAZHASA-N 2 0 372.557 3.069 20 0 FGADRP O=C(CN1CC[C@]2(CC[NH2+]C2)C1)N[C@@H](c1ccccc1)C1CCCCC1 ZINC000462392528 502419195 /nfs/dbraw/zinc/41/91/95/502419195.db2.gz LVEMABIAPVTWAX-VXKWHMMOSA-N 2 0 355.526 3.110 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](C)c1cc(C)cc(C)c1 ZINC000465903803 502421654 /nfs/dbraw/zinc/42/16/54/502421654.db2.gz DUQJXICTHXBUGQ-PZJWPPBQSA-N 2 0 374.573 3.422 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@H](C)c1cc(C)cc(C)c1 ZINC000465903799 502422379 /nfs/dbraw/zinc/42/23/79/502422379.db2.gz DUQJXICTHXBUGQ-CTNGQTDRSA-N 2 0 374.573 3.422 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NC[C@@H](C)c1ccc(C)cc1 ZINC000465950162 502437273 /nfs/dbraw/zinc/43/72/73/502437273.db2.gz MBCBGCFRYRHKOY-TZIWHRDSSA-N 2 0 374.573 3.156 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NCCCC[NH+]2CCC(C)CC2)C[C@H]1C ZINC000483676105 502458887 /nfs/dbraw/zinc/45/88/87/502458887.db2.gz FFQIXFAWZZLQEK-MOPGFXCFSA-N 2 0 352.567 3.013 20 0 FGADRP CC[NH+](CC)CCN(Cc1cccs1)C(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000466038655 502462473 /nfs/dbraw/zinc/46/24/73/502462473.db2.gz KVUDQYVHOOWDSX-IAGOWNOFSA-N 2 0 366.575 3.084 20 0 FGADRP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N(C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000462527419 502475970 /nfs/dbraw/zinc/47/59/70/502475970.db2.gz RKNIZDIFIGXRKI-SVFBPWRDSA-N 2 0 374.573 3.410 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@@H](C(C)C)[NH+]2CCC(C)CC2)C[C@H]1C ZINC000483735685 502479506 /nfs/dbraw/zinc/47/95/06/502479506.db2.gz ZNQXIHUKIHILBU-AABGKKOBSA-N 2 0 366.594 3.257 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H]1CC[C@@H]2CCC[C@@H]2C1 ZINC000466154551 502491444 /nfs/dbraw/zinc/49/14/44/502491444.db2.gz TUYKJWHISSBZFI-MTQWCTHYSA-N 2 0 364.578 3.013 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NC2CC[NH+](C3CCCCC3)CC2)C[C@H]1C ZINC000483792449 502494373 /nfs/dbraw/zinc/49/43/73/502494373.db2.gz VBPMZEIXSHJWIL-XLIONFOSSA-N 2 0 364.578 3.298 20 0 FGADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N(C)[C@H]2CC[NH+](CC)[C@H](C)C2)C1 ZINC000483799126 502495612 /nfs/dbraw/zinc/49/56/12/502495612.db2.gz KVJWZLKSAIHXKG-QRVBRYPASA-N 2 0 366.594 3.401 20 0 FGADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(Nc3cc[nH+]cc3)cc2)C[C@H]1C ZINC000469682633 502500652 /nfs/dbraw/zinc/50/06/52/502500652.db2.gz JCEOWAMEKAMSCW-OXQOHEQNSA-N 2 0 352.482 3.192 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C/C=C\c1cccc(F)c1 ZINC000487747154 502520983 /nfs/dbraw/zinc/52/09/83/502520983.db2.gz FRCFCQJEBRCCEL-QKWWCAPFSA-N 2 0 361.505 3.104 20 0 FGADRP CCC[N@H+](CC)CCNC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000473180593 502537743 /nfs/dbraw/zinc/53/77/43/502537743.db2.gz DHLTTWPKCFVSPP-IBGZPJMESA-N 2 0 352.567 3.016 20 0 FGADRP CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(C[NH+](C)C)cc2)[C@@H]1Oc1ccccc1 ZINC000480334015 502540172 /nfs/dbraw/zinc/54/01/72/502540172.db2.gz MVVMUNVHBCKRHT-BDTNDASRSA-N 2 0 354.494 3.463 20 0 FGADRP C[NH+](C)CC1CC[NH+]([C@@H]2CCN(c3ccccc3C(F)(F)F)C2=O)CC1 ZINC000473215436 502544244 /nfs/dbraw/zinc/54/42/44/502544244.db2.gz MSDAOJJZRVFSOW-QGZVFWFLSA-N 2 0 369.431 3.084 20 0 FGADRP CC[N@@H+]1CCCN(C(=O)NC[C@H]2CCCC[NH+](Cc3ccccc3)C2)CC1 ZINC000462750002 502556515 /nfs/dbraw/zinc/55/65/15/502556515.db2.gz LKNQGNRBPSKCIK-OAQYLSRUSA-N 2 0 372.557 3.026 20 0 FGADRP CC[N@@H+]1CCCN(C(=O)NC[C@@H]2CCCC[NH+](Cc3ccccc3)C2)CC1 ZINC000462750001 502557097 /nfs/dbraw/zinc/55/70/97/502557097.db2.gz LKNQGNRBPSKCIK-NRFANRHFSA-N 2 0 372.557 3.026 20 0 FGADRP CC(C)[NH+]1CCC(NC(=O)NC[C@]2(C)CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000487893870 502559359 /nfs/dbraw/zinc/55/93/59/502559359.db2.gz ILHBWKATKOBIOF-QFIPXVFZSA-N 2 0 372.557 3.213 20 0 FGADRP C[C@H]1C[C@@H](NC(=O)NCCC[NH+]2CCC(C)CC2)C[N@@H+]1Cc1ccccc1 ZINC000466421344 502566427 /nfs/dbraw/zinc/56/64/27/502566427.db2.gz DGIDSIDAPKSWMG-PZJWPPBQSA-N 2 0 372.557 3.071 20 0 FGADRP C[C@H](C[NH+]1CCC(OCCC[NH3+])CC1)c1cccc(Br)c1 ZINC000469855738 502569630 /nfs/dbraw/zinc/56/96/30/502569630.db2.gz WXNGTGOZWDNFPM-CQSZACIVSA-N 2 0 355.320 3.382 20 0 FGADRP [NH3+]CCCOC1CC[NH+](Cc2ccc(OCC(F)(F)F)c(F)c2)CC1 ZINC000469862016 502572220 /nfs/dbraw/zinc/57/22/20/502572220.db2.gz KNRUTYPDMDGHDP-UHFFFAOYSA-N 2 0 364.383 3.097 20 0 FGADRP Cc1cc(Cl)cc(C)c1C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000469865753 502574486 /nfs/dbraw/zinc/57/44/86/502574486.db2.gz YZCIZYNBHKKHID-VQIMIIECSA-N 2 0 363.933 3.037 20 0 FGADRP C[NH+](C)CC1CC[NH+](Cc2cc(Br)cc3c2OCC3)CC1 ZINC000462792437 502575500 /nfs/dbraw/zinc/57/55/00/502575500.db2.gz NQBWXHBIMXOACC-UHFFFAOYSA-N 2 0 353.304 3.158 20 0 FGADRP CCOc1c(Br)cc(CN2C[C@@H](C[NH3+])C[C@H]2C)cc1OC ZINC000469868051 502576225 /nfs/dbraw/zinc/57/62/25/502576225.db2.gz XBTPJFPCTKVEFC-DGCLKSJQSA-N 2 0 357.292 3.026 20 0 FGADRP CCC[C@H](C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1)c1ccccc1 ZINC000469870496 502577613 /nfs/dbraw/zinc/57/76/13/502577613.db2.gz JJAFNXJPMMVUNV-NRSPTQNISA-N 2 0 357.542 3.151 20 0 FGADRP CC[NH+](CC)[C@H](C(=O)Nc1ccc2c(c1)C[NH2+]CCO2)c1ccccc1 ZINC000462891667 502615328 /nfs/dbraw/zinc/61/53/28/502615328.db2.gz GWENGVFXLXELAY-FQEVSTJZSA-N 2 0 353.466 3.190 20 0 FGADRP C[C@H](NC(=O)NCCC[NH+]1CCC(C)CC1)[C@@H](c1ccccc1)[NH+](C)C ZINC000476900159 502615748 /nfs/dbraw/zinc/61/57/48/502615748.db2.gz FRYNLBLVVWLQJK-ICSRJNTNSA-N 2 0 360.546 3.099 20 0 FGADRP COc1ccc(F)cc1C[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000462904195 502620727 /nfs/dbraw/zinc/62/07/27/502620727.db2.gz DZBXBAMUAUAGBR-HXUWFJFHSA-N 2 0 358.457 3.081 20 0 FGADRP C[C@H]([NH2+]Cc1cccc(C[NH+](C)C)c1)[C@@H](c1ccccc1)N1CCOCC1 ZINC000480621142 502624235 /nfs/dbraw/zinc/62/42/35/502624235.db2.gz IYKCGHWKXRXXGC-CVDCTZTESA-N 2 0 367.537 3.300 20 0 FGADRP CC1CCC(N(C(=O)C[NH+]2CCC(C[NH+]3CCCC3)CC2)C2CC2)CC1 ZINC000488312108 502681649 /nfs/dbraw/zinc/68/16/49/502681649.db2.gz PKKJEVVQLLNYFS-UHFFFAOYSA-N 2 0 361.574 3.364 20 0 FGADRP CCCC[N@H+](CC)Cc1cccc(CNC(=O)N[C@@H]2CC[NH+](C3CC3)C2)c1 ZINC000473730313 502689664 /nfs/dbraw/zinc/68/96/64/502689664.db2.gz FSWGTDLHZDMCRB-HXUWFJFHSA-N 2 0 372.557 3.345 20 0 FGADRP CC[NH+](CC)CC1CC[NH+]([C@H](C)C(=O)NCCc2ccccc2C)CC1 ZINC000488403758 502704713 /nfs/dbraw/zinc/70/47/13/502704713.db2.gz DFPLKRXFNPROOC-LJQANCHMSA-N 2 0 359.558 3.096 20 0 FGADRP CC[NH+](CC)CC1CC[NH+]([C@@H](C)C(=O)N[C@H]2CCOc3ccccc32)CC1 ZINC000488402909 502704815 /nfs/dbraw/zinc/70/48/15/502704815.db2.gz ASXYKUWDQRKKST-PXNSSMCTSA-N 2 0 373.541 3.069 20 0 FGADRP C[NH+]1CCC(C[NH2+][C@@H]2CS[C@H](C(C)(C)C)C2)(N2CCCCC2)CC1 ZINC000488418706 502709328 /nfs/dbraw/zinc/70/93/28/502709328.db2.gz FVMZDDZFEZYXMT-ROUUACIJSA-N 2 0 353.620 3.447 20 0 FGADRP C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)NCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000484693546 502710626 /nfs/dbraw/zinc/71/06/26/502710626.db2.gz GNTYMIOKMFIJRZ-ZSYWTGECSA-N 2 0 364.578 3.011 20 0 FGADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CC[NH+](C3CCCC3)CC2)C1 ZINC000477223687 502712024 /nfs/dbraw/zinc/71/20/24/502712024.db2.gz QMKBGRCXRMWUQP-GOSISDBHSA-N 2 0 364.578 3.157 20 0 FGADRP C[NH+](C)CC1CC[NH+](CC(=O)NCC2(c3ccccc3)CCCCC2)CC1 ZINC000480955837 502713631 /nfs/dbraw/zinc/71/36/31/502713631.db2.gz IDJBVNCMQJXHSE-UHFFFAOYSA-N 2 0 371.569 3.278 20 0 FGADRP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCCC[NH2+]C2CCCCC2)C1 ZINC000477292494 502732324 /nfs/dbraw/zinc/73/23/24/502732324.db2.gz TXPRIKBYRUUMPA-SFHVURJKSA-N 2 0 366.594 3.499 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H](NC[C@]2([NH+](C)C)CCC[C@H](C)C2)[C@@H](C)C1 ZINC000481039585 502737918 /nfs/dbraw/zinc/73/79/18/502737918.db2.gz RRHVKWRBSZKEAU-TUFLPTIASA-N 2 0 353.595 3.224 20 0 FGADRP C[C@H](C(=O)N[C@@H](C)c1cc2ccccc2o1)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000481068275 502746931 /nfs/dbraw/zinc/74/69/31/502746931.db2.gz CIIDNZZVOGSKPY-JKSUJKDBSA-N 2 0 357.498 3.272 20 0 FGADRP CC1CC[NH+](CC(=O)NCc2ccccc2C[NH+]2CCCCCC2)CC1 ZINC000473924516 502750837 /nfs/dbraw/zinc/75/08/37/502750837.db2.gz OUIIWCVFUSWTPZ-UHFFFAOYSA-N 2 0 357.542 3.411 20 0 FGADRP C[C@@H]1CC[N@H+](CCOc2ccc(NC(=O)c3ccc4c(c3)C[NH2+]C4)cc2)C1 ZINC000470366102 502751811 /nfs/dbraw/zinc/75/18/11/502751811.db2.gz CFMQSJAGZFYPLD-MRXNPFEDSA-N 2 0 365.477 3.263 20 0 FGADRP C[C@@H]([NH2+][C@H]1CC[C@@H](C)C[C@H]1C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000481164822 502771012 /nfs/dbraw/zinc/77/10/12/502771012.db2.gz HYKXDIDUCZOMJZ-VLFNSIGCSA-N 2 0 357.542 3.180 20 0 FGADRP C[C@@H]1CC[C@H]([NH2+]CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)[C@@H](C)C1 ZINC000481175828 502773588 /nfs/dbraw/zinc/77/35/88/502773588.db2.gz NBXHIPLQFKBCGT-LQWHRVPQSA-N 2 0 357.542 3.313 20 0 FGADRP Cc1ccccc1C[NH+]1CCC(NC(=O)C[NH2+][C@@H]2CCC[C@@H](C)[C@H]2C)CC1 ZINC000481186001 502777102 /nfs/dbraw/zinc/77/71/02/502777102.db2.gz HCYZZDJVXRPCJF-SFGWALBWSA-N 2 0 371.569 3.490 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)NCC[NH+]2CC=CCC2)cc1 ZINC000474007207 502778420 /nfs/dbraw/zinc/77/84/20/502778420.db2.gz DASFMJZCUIVLHW-LJQANCHMSA-N 2 0 370.541 3.122 20 0 FGADRP CC(C)[C@@H](CNC(=O)NC1CC([NH+]2CCCCC2)C1)[NH+]1CCCCCC1 ZINC000474021088 502781430 /nfs/dbraw/zinc/78/14/30/502781430.db2.gz GHXCDJHBEJPCHL-SOAGJPPSSA-N 2 0 364.578 3.203 20 0 FGADRP C[C@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)C1CCC(F)(F)CC1 ZINC000474021439 502781779 /nfs/dbraw/zinc/78/17/79/502781779.db2.gz GYAJYIYESOERTE-HNNXBMFYSA-N 2 0 352.473 3.137 20 0 FGADRP O=C(C[NH2+][C@@H]1CCCC[C@H]1Cc1ccccc1)NC1CC[NH+](C2CC2)CC1 ZINC000481207513 502783384 /nfs/dbraw/zinc/78/33/84/502783384.db2.gz XBKLAZBRLSQSBN-SIKLNZKXSA-N 2 0 369.553 3.121 20 0 FGADRP CC[NH+](CC)CCN(Cc1ccccc1)C(=O)c1ccc2c(c1)C[NH2+]C2 ZINC000470459760 502783571 /nfs/dbraw/zinc/78/35/71/502783571.db2.gz UKZBRSFQUQYFDV-UHFFFAOYSA-N 2 0 351.494 3.274 20 0 FGADRP CC(C)[NH+](CCCNC(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C)C(C)C ZINC000470490908 502793842 /nfs/dbraw/zinc/79/38/42/502793842.db2.gz WTBBBURLPICORZ-IBGZPJMESA-N 2 0 366.525 3.237 20 0 FGADRP CC[N@H+](Cc1ccccc1)[C@H](C)C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000485044354 502809325 /nfs/dbraw/zinc/80/93/25/502809325.db2.gz VVKODCBJHZQRFY-DENIHFKCSA-N 2 0 365.521 3.288 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1CCCNC(=O)N[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000504877566 502817854 /nfs/dbraw/zinc/81/78/54/502817854.db2.gz VNVYHWIEBXWJKG-CTNGQTDRSA-N 2 0 372.557 3.215 20 0 FGADRP CC[NH+]1CCN(c2ccccc2CN2CCCC[C@H]([NH+]3CCCC3)C2)CC1 ZINC000513037286 502836277 /nfs/dbraw/zinc/83/62/77/502836277.db2.gz ROHMPPSSADLCER-QFIPXVFZSA-N 2 0 370.585 3.279 20 0 FGADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000500823339 502871043 /nfs/dbraw/zinc/87/10/43/502871043.db2.gz AHIOIELRCWCHDR-RTWAWAEBSA-N 2 0 372.557 3.387 20 0 FGADRP CC[N@@H+]1CCC[C@H](CNC(=O)NC[C@@]2(C)CCC[NH+]2Cc2ccccc2)C1 ZINC000489076222 502875072 /nfs/dbraw/zinc/87/50/72/502875072.db2.gz POWOBAKYNYVWPB-IFMALSPDSA-N 2 0 372.557 3.072 20 0 FGADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)NCC[NH+](C)C1CCCC1 ZINC000489180983 502895200 /nfs/dbraw/zinc/89/52/00/502895200.db2.gz HDHYSQNELLOVOY-GHTZIAJQSA-N 2 0 372.557 3.071 20 0 FGADRP C[C@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501025614 502915288 /nfs/dbraw/zinc/91/52/88/502915288.db2.gz ZKGGZFJGCSZWJR-CEXWTWQISA-N 2 0 372.557 3.123 20 0 FGADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)NCCCC[NH+]1CCCC[C@@H]1C ZINC000501043681 502920466 /nfs/dbraw/zinc/92/04/66/502920466.db2.gz DIXKDLDZIOHIPO-RBUKOAKNSA-N 2 0 352.567 3.205 20 0 FGADRP Cc1ccc(NC(=O)C[N@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000501046903 502921607 /nfs/dbraw/zinc/92/16/07/502921607.db2.gz CFTCKPHUAVVHEE-UHFFFAOYSA-N 2 0 352.482 3.177 20 0 FGADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)NC[C@@H](C)[NH+](C)Cc1ccccc1 ZINC000501062267 502925428 /nfs/dbraw/zinc/92/54/28/502925428.db2.gz IKDDCNKACQAVQL-QUCCMNQESA-N 2 0 360.546 3.071 20 0 FGADRP C[C@H](C(=O)Nc1cccc(F)c1)[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501064875 502926141 /nfs/dbraw/zinc/92/61/41/502926141.db2.gz ZPVGXTLHSGAACT-MRXNPFEDSA-N 2 0 370.472 3.396 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccsc1 ZINC000501149873 502949564 /nfs/dbraw/zinc/94/95/64/502949564.db2.gz IFJZANOMJFIRAI-KZNAEPCWSA-N 2 0 364.559 3.057 20 0 FGADRP C[C@@H]1C[C@@H](CC[NH2+]Cc2cc(C(N)=O)cs2)C[N@@H+]1Cc1ccccc1 ZINC000513500017 502953090 /nfs/dbraw/zinc/95/30/90/502953090.db2.gz KKIBCKSVZKVCOA-NVXWUHKLSA-N 2 0 357.523 3.237 20 0 FGADRP C[C@@H]1C[NH+](CCCC[NH2+][C@H](Cc2ccccn2)c2cccnc2)C[C@@H](C)O1 ZINC000513505468 502955234 /nfs/dbraw/zinc/95/52/34/502955234.db2.gz KOGCAWJLYCMSIL-WOIUINJBSA-N 2 0 368.525 3.239 20 0 FGADRP CCCc1nc2ccccc2n1CCC(=O)N1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000505658597 502961670 /nfs/dbraw/zinc/96/16/70/502961670.db2.gz ORYFBFWYABJJDB-QFIPXVFZSA-N 2 0 368.525 3.323 20 0 FGADRP CC(C)CN(CC[NH+](C)C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000489516727 502976122 /nfs/dbraw/zinc/97/61/22/502976122.db2.gz TZAYOUXNGGUKQX-FPOVZHCZSA-N 2 0 374.573 3.126 20 0 FGADRP Cc1ccc(C)c(OCCC[NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)c1 ZINC000497510064 502977009 /nfs/dbraw/zinc/97/70/09/502977009.db2.gz XUJPMOHYFDZKBB-CBQGHPETSA-N 2 0 371.569 3.315 20 0 FGADRP COc1ccc(Br)cc1C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000513656265 502992719 /nfs/dbraw/zinc/99/27/19/502992719.db2.gz QYWTVYRKAJPXIN-XHSDSOJGSA-N 2 0 353.304 3.420 20 0 FGADRP C[C@@H](Cc1ccc(O)cc1)[NH2+]CCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000509849907 502998336 /nfs/dbraw/zinc/99/83/36/502998336.db2.gz LEGCZOPGJUJVGA-FQEVSTJZSA-N 2 0 367.537 3.121 20 0 FGADRP CCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@H](C)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000501388316 502998959 /nfs/dbraw/zinc/99/89/59/502998959.db2.gz UCVCAEMMOMFERP-NRSPTQNISA-N 2 0 372.557 3.071 20 0 FGADRP C[N@@H+](Cc1ccccc1)CC1CC[NH+](C[C@@H](O)COc2ccccc2)CC1 ZINC000489632198 503001527 /nfs/dbraw/zinc/00/15/27/503001527.db2.gz GILHMELCEWYPKT-JOCHJYFZSA-N 2 0 368.521 3.270 20 0 FGADRP C[C@H]([NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1)C(=O)N1CCCCC1 ZINC000513708935 503006025 /nfs/dbraw/zinc/00/60/25/503006025.db2.gz ZKHSDVVYDSAHNN-PELRDEGISA-N 2 0 357.542 3.420 20 0 FGADRP C[C@H](C(=O)NCc1ccc(OC2CC[NH+](C)CC2)cc1)[NH+]1CCCCCC1 ZINC000501417574 503006381 /nfs/dbraw/zinc/00/63/81/503006381.db2.gz LQWKGASTPZUFNO-GOSISDBHSA-N 2 0 373.541 3.040 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000506016554 503029530 /nfs/dbraw/zinc/02/95/30/503029530.db2.gz IUMIERUYFLELGJ-XMSQKQJNSA-N 2 0 365.521 3.133 20 0 FGADRP C[C@@H]1CCCC[C@H]1OCC[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000506030003 503032681 /nfs/dbraw/zinc/03/26/81/503032681.db2.gz DYBJRUWVEKGZGY-TZIWHRDSSA-N 2 0 352.563 3.406 20 0 FGADRP [NH3+]CC[C@H]1CCCCN1CC(=O)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000489904297 503060757 /nfs/dbraw/zinc/06/07/57/503060757.db2.gz CVAFTMBLDKFQOL-GFCCVEGCSA-N 2 0 361.820 3.083 20 0 FGADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)NCCC[NH+]2CCC(C)CC2)C1 ZINC000514028089 503072507 /nfs/dbraw/zinc/07/25/07/503072507.db2.gz ZOMSCIGTMKNWOR-PZJWPPBQSA-N 2 0 372.557 3.243 20 0 FGADRP O=C(N[C@H](C[NH+]1CCCC1)c1ccccc1)N1CC[NH+](C2CCCC2)CC1 ZINC000501814031 503085679 /nfs/dbraw/zinc/08/56/79/503085679.db2.gz MOYRVVAKJFMOOS-OAQYLSRUSA-N 2 0 370.541 3.093 20 0 FGADRP COc1cccc([C@H](CN[C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)[NH+]2CCCC2)c1 ZINC000514093527 503085848 /nfs/dbraw/zinc/08/58/48/503085848.db2.gz JIAHOHXJAWEGLP-CBPXPLCBSA-N 2 0 357.542 3.295 20 0 FGADRP COc1cccc([C@H](CN[C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)[NH+]2CCCC2)c1 ZINC000514093530 503086235 /nfs/dbraw/zinc/08/62/35/503086235.db2.gz JIAHOHXJAWEGLP-YSFYHYPLSA-N 2 0 357.542 3.295 20 0 FGADRP CC[N@H+](C)[C@H](C(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C)c1ccccc1 ZINC000490116333 503111802 /nfs/dbraw/zinc/11/18/02/503111802.db2.gz DJRNHYAGPGVKDB-UXHICEINSA-N 2 0 357.473 3.238 20 0 FGADRP CC[C@@H]([NH2+]Cc1cccc(OCCN2CCOCC2)c1)c1ccc(F)cn1 ZINC000490159807 503119318 /nfs/dbraw/zinc/11/93/18/503119318.db2.gz ZPEVZFMSNXWBBU-HXUWFJFHSA-N 2 0 373.472 3.173 20 0 FGADRP CC[N@H+](CCNC(=O)N1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1)C(C)C ZINC000506655811 503151375 /nfs/dbraw/zinc/15/13/75/503151375.db2.gz RXSHYKMSGHJNMP-RTBURBONSA-N 2 0 352.567 3.013 20 0 FGADRP CCCN(CC[NH+]1CCCC1)C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000502170216 503154923 /nfs/dbraw/zinc/15/49/23/503154923.db2.gz QQQHXAOASZAJNZ-PZJWPPBQSA-N 2 0 372.557 3.024 20 0 FGADRP C[C@H](CCc1c(F)cccc1F)[NH2+]Cc1ccnc(OCC[NH+](C)C)c1 ZINC000510701760 503175455 /nfs/dbraw/zinc/17/54/55/503175455.db2.gz INZZFQDTDGDVLL-OAHLLOKOSA-N 2 0 363.452 3.411 20 0 FGADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000506828175 503180604 /nfs/dbraw/zinc/18/06/04/503180604.db2.gz SOJPPXDAIAUVEZ-SLFFLAALSA-N 2 0 364.578 3.157 20 0 FGADRP C[C@@H](CCc1c(F)cccc1F)[NH2+]Cc1cccnc1N1CC[NH+](C)CC1 ZINC000510750094 503185376 /nfs/dbraw/zinc/18/53/76/503185376.db2.gz LGCMVRFCFWJRLV-INIZCTEOSA-N 2 0 374.479 3.223 20 0 FGADRP COCC[C@H]1CCC[C@H]1[NH2+]CCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000502362648 503186961 /nfs/dbraw/zinc/18/69/61/503186961.db2.gz AMOKXAJLTKHUOM-IFMALSPDSA-N 2 0 359.558 3.384 20 0 FGADRP CC1CC[NH+](Cc2cccc(CNC(=O)NCC3(C)CC[NH2+]CC3)c2)CC1 ZINC000514783954 503191997 /nfs/dbraw/zinc/19/19/97/503191997.db2.gz VXUCZZDXDRATGI-UHFFFAOYSA-N 2 0 372.557 3.107 20 0 FGADRP Cc1cnc2cc(C(=O)N3C[C@@H]4CC[N@H+](Cc5ccccc5)C[C@H]4C3)ccn12 ZINC000514797364 503195880 /nfs/dbraw/zinc/19/58/80/503195880.db2.gz XKZITLZSWLQELG-SFTDATJTSA-N 2 0 374.488 3.237 20 0 FGADRP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1cnn(C2CCCC2)c1 ZINC000502473638 503205538 /nfs/dbraw/zinc/20/55/38/503205538.db2.gz DBSZIHIBZMFTQV-VGOFRKELSA-N 2 0 368.525 3.416 20 0 FGADRP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCC[C@H](C(=O)NCC2CC2)C1 ZINC000507054338 503221605 /nfs/dbraw/zinc/22/16/05/503221605.db2.gz RHYVXPAXAOSACI-NRFANRHFSA-N 2 0 371.569 3.383 20 0 FGADRP CC(C)[N@H+](C)CCNC(=O)NCC1([NH2+][C@H](C)c2ccccc2)CCCC1 ZINC000502781476 503270765 /nfs/dbraw/zinc/27/07/65/503270765.db2.gz MUDLDNVMUZCGOT-GOSISDBHSA-N 2 0 360.546 3.289 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)N2CCC([NH+]3CCCC3)CC2)C1 ZINC000502820903 503280667 /nfs/dbraw/zinc/28/06/67/503280667.db2.gz BIQXQYYADHCTMR-KDURUIRLSA-N 2 0 364.578 3.014 20 0 FGADRP Cc1ccc([C@H](CNC(=O)N[C@H](C)C2=CC[N@H+](C)CC2)[NH+]2CCCC2)cc1 ZINC000511215057 503281837 /nfs/dbraw/zinc/28/18/37/503281837.db2.gz GUKHUQATFNSFLZ-NQIIRXRSSA-N 2 0 370.541 3.082 20 0 FGADRP CC[NH+](CC)CC1CCN(C(=O)NCCCC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000502847565 503288179 /nfs/dbraw/zinc/28/81/79/503288179.db2.gz SEGJDVVNAHIMKO-LJQANCHMSA-N 2 0 366.594 3.404 20 0 FGADRP C[C@H]1CCC[N@H+](CCCCNC(=O)NCC2([NH+](C)C)CCCCC2)C1 ZINC000502886634 503299002 /nfs/dbraw/zinc/29/90/02/503299002.db2.gz HNKYVIQLONEWGY-SFHVURJKSA-N 2 0 352.567 3.062 20 0 FGADRP C[C@H](c1nc(-c2ccccc2)no1)[NH+]1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000515342889 503319164 /nfs/dbraw/zinc/31/91/64/503319164.db2.gz KLRKLCCCYXBSSS-JLSDUUJJSA-N 2 0 356.470 3.016 20 0 FGADRP CC[C@@H]1CCCC[N@@H+]1CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000499063431 503324847 /nfs/dbraw/zinc/32/48/47/503324847.db2.gz KZSNBVHWOBIAPD-LJQANCHMSA-N 2 0 361.555 3.438 20 0 FGADRP COC(=O)c1cc2c(o1)c(OC)ccc2C[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000511509912 503334445 /nfs/dbraw/zinc/33/44/45/503334445.db2.gz SPULKPWGOOGWLV-UHFFFAOYSA-N 2 0 374.481 3.392 20 0 FGADRP C[C@H](NC(=O)NC1CC[NH+](C2CCCC2)CC1)[C@H](c1ccccc1)[NH+](C)C ZINC000499104959 503335186 /nfs/dbraw/zinc/33/51/86/503335186.db2.gz YMBIWNUGJHIBPK-LAUBAEHRSA-N 2 0 372.557 3.384 20 0 FGADRP Cc1ccc([C@@H](CNC(=O)N(C)CCC[NH+]2CCCC2)[NH+]2CCCC2)cc1 ZINC000499141595 503342731 /nfs/dbraw/zinc/34/27/31/503342731.db2.gz MBFHOZRIDZYNHR-OAQYLSRUSA-N 2 0 372.557 3.259 20 0 FGADRP COc1ccc2c(c1F)CC[C@@H]2[NH2+]CCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000515476797 503346429 /nfs/dbraw/zinc/34/64/29/503346429.db2.gz TZZLVXUTJARGJK-MPGHIAIKSA-N 2 0 350.478 3.301 20 0 FGADRP c1cc2c(cc1C[N@@H+]1CCC[C@@H](c3nnc4n3CCCCC4)C1)C[NH2+]CC2 ZINC000515490780 503348918 /nfs/dbraw/zinc/34/89/18/503348918.db2.gz SEXMLOLHIGBNAE-LJQANCHMSA-N 2 0 365.525 3.030 20 0 FGADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)NCCC[NH+]1CCCCC1)c1ccccc1 ZINC000503113923 503350280 /nfs/dbraw/zinc/35/02/80/503350280.db2.gz DJNUYNCEXIZXRP-GOSISDBHSA-N 2 0 360.546 3.291 20 0 FGADRP CCC[N@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)[C@@H]1CCc2ccccc21 ZINC000511648178 503361995 /nfs/dbraw/zinc/36/19/95/503361995.db2.gz LQRQNBWIBGZDOJ-OAQYLSRUSA-N 2 0 357.542 3.375 20 0 FGADRP C[NH+](C)[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1)c1ccccc1 ZINC000511668289 503365735 /nfs/dbraw/zinc/36/57/35/503365735.db2.gz SIHXMFWPGOTAKN-LEWJYISDSA-N 2 0 351.494 3.070 20 0 FGADRP CC[C@@H]1C[C@@H](C[NH+]2CCC(CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)CCO1 ZINC000507800226 503368332 /nfs/dbraw/zinc/36/83/32/503368332.db2.gz ZCACLNWRZLCOFZ-IZZBFERCSA-N 2 0 352.563 3.403 20 0 FGADRP CCC(CC)(C[NH2+]Cc1c(Cl)cccc1N1CC[NH+](C)CC1)OC ZINC000492486220 503371034 /nfs/dbraw/zinc/37/10/34/503371034.db2.gz PSMLDGGDTAAPBO-UHFFFAOYSA-N 2 0 353.938 3.387 20 0 FGADRP CC[C@@H]1C[C@@H](C[N@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)CCO1 ZINC000507815000 503372063 /nfs/dbraw/zinc/37/20/63/503372063.db2.gz NQNFTAJGMQUNLC-RBBKRZOGSA-N 2 0 365.606 3.320 20 0 FGADRP CCC[C@@H]([NH2+]C(C)C)C(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000503302391 503386526 /nfs/dbraw/zinc/38/65/26/503386526.db2.gz MCUWMMDKBFDJCV-HXUWFJFHSA-N 2 0 360.546 3.313 20 0 FGADRP CC[NH+]1CCN(Cc2ccc(NC(=O)[C@H](C)[N@H+]3[C@H](C)CC[C@@H]3C)cc2)CC1 ZINC000507958115 503404361 /nfs/dbraw/zinc/40/43/61/503404361.db2.gz VCSUZIXYEAGLMG-OTWHNJEPSA-N 2 0 372.557 3.024 20 0 FGADRP CC(C)[NH+]1CCN(CCC[NH2+][C@H]2CCC[C@H]2OCc2ccccc2)CC1 ZINC000503525396 503428971 /nfs/dbraw/zinc/42/89/71/503428971.db2.gz DSDHAUFAPFVAML-FCHUYYIVSA-N 2 0 359.558 3.130 20 0 FGADRP C[C@H]1CCC[C@@](CNC(=O)N(CC[NH+](C)C)Cc2ccccc2)([NH+](C)C)C1 ZINC000516155325 503456847 /nfs/dbraw/zinc/45/68/47/503456847.db2.gz LTNLXZPMEFYQLA-SIKLNZKXSA-N 2 0 374.573 3.270 20 0 FGADRP CO[C@H](c1ccccc1)[C@H](C)[NH2+]CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000493910059 503457132 /nfs/dbraw/zinc/45/71/32/503457132.db2.gz YJLBXQAAODKZQM-REWPJTCUSA-N 2 0 367.537 3.170 20 0 FGADRP CC(C)[C@H](CNC(=O)N[C@H](C)[C@H](c1ccccc1)[NH+](C)C)[NH+]1CCCC1 ZINC000493939661 503462607 /nfs/dbraw/zinc/46/26/07/503462607.db2.gz FSVUYJAQDRWQBR-YZGWKJHDSA-N 2 0 360.546 3.097 20 0 FGADRP CCc1ccc(C[NH2+]CCCN2CC[N@H+](C)C[C@@H]2c2ccccc2)cn1 ZINC000512122305 503462622 /nfs/dbraw/zinc/46/26/22/503462622.db2.gz KXEIKXQNGFGFDS-JOCHJYFZSA-N 2 0 352.526 3.112 20 0 FGADRP Cc1ccc(CN(CC[NH+](C)C)C(=O)c2cccc(C[NH+]3CCCC3)c2)o1 ZINC000504011804 503510419 /nfs/dbraw/zinc/51/04/19/503510419.db2.gz XZHAKUQROZRAOI-UHFFFAOYSA-N 2 0 369.509 3.388 20 0 FGADRP C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)[C@@H]2CCC[NH+]2C2CC2)C1 ZINC000494248354 503512028 /nfs/dbraw/zinc/51/20/28/503512028.db2.gz QXZCYDYCCWUGFY-UWJYYQICSA-N 2 0 355.526 3.162 20 0 FGADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)[C@@H]2CCC[NH+]2C2CC2)cc1 ZINC000494326223 503526196 /nfs/dbraw/zinc/52/61/96/503526196.db2.gz GLMMJXRNJQEAJS-UWJYYQICSA-N 2 0 355.526 3.304 20 0 FGADRP CC(C)c1ccc(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000500013326 503533130 /nfs/dbraw/zinc/53/31/30/503533130.db2.gz GOLJIIBQYGBCJK-UHFFFAOYSA-N 2 0 366.509 3.147 20 0 FGADRP Cc1ccc(-c2noc(CCC[N@@H+]3CCC[C@H]([C@H]4CC[NH2+]C4)C3)n2)cc1F ZINC000516570880 503539465 /nfs/dbraw/zinc/53/94/65/503539465.db2.gz ISCZWVHADFVSCG-ROUUACIJSA-N 2 0 372.488 3.438 20 0 FGADRP CC(C)[NH+]1CCN(C(=O)NCC[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC000512407565 503539857 /nfs/dbraw/zinc/53/98/57/503539857.db2.gz WMVPTGWQBPVRNQ-PZJWPPBQSA-N 2 0 372.557 3.023 20 0 FGADRP C[C@H]1C[C@H](CCNC(=O)N(C)CC[NH+]2CCCC2)C[N@@H+]1Cc1ccccc1 ZINC000512430984 503549136 /nfs/dbraw/zinc/54/91/36/503549136.db2.gz WIJKFYZVFNEYTI-FPOVZHCZSA-N 2 0 372.557 3.024 20 0 FGADRP C[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2ccccc2Cn2cncn2)CC1 ZINC000508730016 503553064 /nfs/dbraw/zinc/55/30/64/503553064.db2.gz MAACLCHVWIRZRH-AVRDEDQJSA-N 2 0 367.541 3.459 20 0 FGADRP CC(C)[NH+](CCN(C)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1)C(C)C ZINC000504420580 503572585 /nfs/dbraw/zinc/57/25/85/503572585.db2.gz XIPMLRKQDRZZLW-UXHICEINSA-N 2 0 360.546 3.192 20 0 FGADRP C[C@H](NC(=O)N1CCC([NH+]2CCCCC2)CC1)[C@H](c1ccccc1)[NH+](C)C ZINC000508848857 503576713 /nfs/dbraw/zinc/57/67/13/503576713.db2.gz AYZDHKHDCJNHET-GHTZIAJQSA-N 2 0 372.557 3.338 20 0 FGADRP C(=C\C[N@H+]1CCC[C@H](OCC2CC2)C1)\C[NH+]1CCC[C@H](OCC2CC2)C1 ZINC000494657465 503586046 /nfs/dbraw/zinc/58/60/46/503586046.db2.gz UATGBYLCOYIEOS-AUSJAXNVSA-N 2 0 362.558 3.325 20 0 FGADRP CCC[NH+]1CCN(c2ccccc2C[NH2+]CCc2nc(C)oc2C)CC1 ZINC000500244152 503586715 /nfs/dbraw/zinc/58/67/15/503586715.db2.gz ZSKSFSKFTRAWSA-UHFFFAOYSA-N 2 0 356.514 3.156 20 0 FGADRP Cc1ccccc1[C@H]([C@H](C)NC(=O)N1CCC(CC[NH+](C)C)CC1)[NH+](C)C ZINC000508898124 503593073 /nfs/dbraw/zinc/59/30/73/503593073.db2.gz KLOJCLRDLPNJBV-RXVVDRJESA-N 2 0 374.573 3.360 20 0 FGADRP C[C@@H](NC(=O)N1CC[NH+](C2CCCCC2)CC1)[C@@H](c1ccccc1)[NH+](C)C ZINC000508904090 503596083 /nfs/dbraw/zinc/59/60/83/503596083.db2.gz HFBXXTPQJKFIBJ-NQIIRXRSSA-N 2 0 372.557 3.338 20 0 FGADRP C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N2CC[C@H](C)[C@@H](C[NH3+])C2)C1 ZINC000582715078 506381219 /nfs/dbraw/zinc/38/12/19/506381219.db2.gz LAQDIDLMORPEFC-LQWHRVPQSA-N 2 0 372.557 3.045 20 0 FGADRP CC(C)[NH+](CCN(C)C(=O)N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)C(C)C ZINC000512693377 503614517 /nfs/dbraw/zinc/61/45/17/503614517.db2.gz IMLLHSYCFYZEKN-OALUTQOASA-N 2 0 366.594 3.400 20 0 FGADRP CCC[N@H+](CC)C[C@@H](C)NC(=O)N[C@@H]1CC[NH+]([C@@H](C)c2ccccc2)C1 ZINC000517064012 503653601 /nfs/dbraw/zinc/65/36/01/503653601.db2.gz RZGLYEMDWXSXGM-WSTZPKSXSA-N 2 0 360.546 3.242 20 0 FGADRP Cc1c([C@@H](C)[NH2+][C@H](CN2CCN(C)CC2)c2ccccc2)cnn1C(C)C ZINC000527041802 503654021 /nfs/dbraw/zinc/65/40/21/503654021.db2.gz TUVSJSHYXUCMRD-XMSQKQJNSA-N 2 0 369.557 3.412 20 0 FGADRP CC1(C)NC(=O)CC[C@@H]1[NH2+]CC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000495062192 503655496 /nfs/dbraw/zinc/65/54/96/503655496.db2.gz ALGPINWFNDYEAG-SFHVURJKSA-N 2 0 363.933 3.199 20 0 FGADRP C[NH+](C)[C@@H](CNC(=O)N1CCC[C@@H]1C[NH+]1CCCCC1)c1ccsc1 ZINC000517148837 503656152 /nfs/dbraw/zinc/65/61/52/503656152.db2.gz JSXLPOKHDCECNO-MSOLQXFVSA-N 2 0 364.559 3.011 20 0 FGADRP COc1ccc(Oc2ccc(C[NH2+]C[C@@H](C)N3CC[NH+](C)CC3)cc2)cc1 ZINC000543171550 503657821 /nfs/dbraw/zinc/65/78/21/503657821.db2.gz GNLLCYUGYZIPAD-GOSISDBHSA-N 2 0 369.509 3.213 20 0 FGADRP CC(C)[N@H+](C)CCNC(=O)Nc1cccc(CC[NH+]2CCC(C)CC2)c1 ZINC000536722638 503696782 /nfs/dbraw/zinc/69/67/82/503696782.db2.gz VCRDZNSUHJBGNT-UHFFFAOYSA-N 2 0 360.546 3.423 20 0 FGADRP C[C@H]([NH2+]CCC(C)(C)C)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000540194436 503702837 /nfs/dbraw/zinc/70/28/37/503702837.db2.gz IKYVKXDSWNGXKB-INIZCTEOSA-N 2 0 369.575 3.003 20 0 FGADRP C[C@H]1[C@H](C)[N@H+](C)CCN1C(=O)c1cccc(C[NH+](C)Cc2ccccc2)c1 ZINC000543294155 503713656 /nfs/dbraw/zinc/71/36/56/503713656.db2.gz JZPKMNJZESFQAW-OALUTQOASA-N 2 0 365.521 3.483 20 0 FGADRP C[C@H]1C[C@H]([NH2+]Cc2ccc3c(c2)sc(=O)n3C)CN1Cc1ccccc1 ZINC000527230400 503730025 /nfs/dbraw/zinc/73/00/25/503730025.db2.gz APGRAGBFTOPEHA-YJBOKZPZSA-N 2 0 367.518 3.353 20 0 FGADRP C[C@H]([NH2+]CCc1cnc(C2CC2)nc1)c1cccc(OCC[NH+](C)C)c1 ZINC000536832820 503735559 /nfs/dbraw/zinc/73/55/59/503735559.db2.gz KVUPKTYLCKICDB-INIZCTEOSA-N 2 0 354.498 3.188 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCN(C(C)=O)c3ccccc32)[C@H](C)C1 ZINC000536842826 503738624 /nfs/dbraw/zinc/73/86/24/503738624.db2.gz BEUSPFCMPGYHGK-JRGCBEDISA-N 2 0 373.541 3.211 20 0 FGADRP Cc1ccncc1[C@H](C)[NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000536858121 503741842 /nfs/dbraw/zinc/74/18/42/503741842.db2.gz LYVBGBFGQWZDLD-SFHVURJKSA-N 2 0 366.509 3.066 20 0 FGADRP Cc1ccccc1[C@H](CN1CCOCC1)[NH2+]CCCC[N@H+]1CCC[C@@H](C)C1 ZINC000543406859 503758000 /nfs/dbraw/zinc/75/80/00/503758000.db2.gz MYHKBYGWNFSDJE-OFNKIYASSA-N 2 0 373.585 3.470 20 0 FGADRP CC(C)[C@H](C[NH2+][C@@H](c1ccc(F)cc1)c1cccnc1)N1CC[NH+](C)CC1 ZINC000543410977 503759471 /nfs/dbraw/zinc/75/94/71/503759471.db2.gz CAGFCJBRZPWWJX-VXKWHMMOSA-N 2 0 370.516 3.172 20 0 FGADRP CN(CC1([NH+](C)C)CCC1)C(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000527343538 503772760 /nfs/dbraw/zinc/77/27/60/503772760.db2.gz LOVMJHMPGUGWFS-QGZVFWFLSA-N 2 0 366.937 3.068 20 0 FGADRP O=C(NCC[NH+]1CCCC1)c1ccc(C[NH2+][C@H]2CCC[C@H]2C2CC2)cc1 ZINC000537015736 503777849 /nfs/dbraw/zinc/77/78/49/503777849.db2.gz JGPUIQLQYZLLPI-SFTDATJTSA-N 2 0 355.526 3.181 20 0 FGADRP CC[N@H+](Cc1ccc(C(=O)NC[C@H]2CC[NH+]2C2CCCC2)cc1)C1CC1 ZINC000530024030 503797285 /nfs/dbraw/zinc/79/72/85/503797285.db2.gz JPSQTVWPWINNEI-OAQYLSRUSA-N 2 0 355.526 3.418 20 0 FGADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2c(C3CC3)nc3sccn23)C1 ZINC000540506041 503797652 /nfs/dbraw/zinc/79/76/52/503797652.db2.gz YCXVNZNODSKCRX-MRXNPFEDSA-N 2 0 362.543 3.206 20 0 FGADRP C[C@@H]1C[NH+](CCOc2ccc(CC[NH2+][C@@H]3CC[N@H+](C)C[C@H]3C)cc2)C[C@H]1C ZINC000537093264 503800306 /nfs/dbraw/zinc/80/03/06/503800306.db2.gz FPRCQRBTQFYCSE-GLHSZLCASA-N 3 0 373.585 3.126 20 0 FGADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCc2ccc(C[NH+](C)C)cc2)C1 ZINC000517702162 503812592 /nfs/dbraw/zinc/81/25/92/503812592.db2.gz METKRHNAHLMYGC-GOSISDBHSA-N 2 0 374.573 3.448 20 0 FGADRP C[N@H+](CCc1cc(Cl)c2c(c1)OCCCO2)C[C@@H]1CCC[NH+](C)C1 ZINC000540552343 503814512 /nfs/dbraw/zinc/81/45/12/503814512.db2.gz LZXCDKMWYWAODB-MRXNPFEDSA-N 2 0 352.906 3.317 20 0 FGADRP COC(=O)c1ccc(C[NH2+]CC[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)o1 ZINC000540628415 503838440 /nfs/dbraw/zinc/83/84/40/503838440.db2.gz ZTEOYXWFCFMCLG-AEFFLSMTSA-N 2 0 356.466 3.457 20 0 FGADRP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@@H+]([C@@H](C)C3CC3)C3CC3)CC2)cc1 ZINC000546706763 503845001 /nfs/dbraw/zinc/84/50/01/503845001.db2.gz OMDJJFVWJLXPOB-IBGZPJMESA-N 2 0 369.553 3.292 20 0 FGADRP C[C@H]1C[N@H+](CCOc2ccc(CC[NH2+]C[C@@H]3CCCOC3)cc2)C[C@H]1C ZINC000540653707 503846162 /nfs/dbraw/zinc/84/61/62/503846162.db2.gz RKLGTRJKWPLTAL-ZVDOUQERSA-N 2 0 360.542 3.212 20 0 FGADRP C[C@@H]1C[NH+](CCOc2ccc(CC[NH2+]C[C@H]3CCCOC3)cc2)C[C@H]1C ZINC000540653705 503846478 /nfs/dbraw/zinc/84/64/78/503846478.db2.gz RKLGTRJKWPLTAL-SFHLNBCPSA-N 2 0 360.542 3.212 20 0 FGADRP CN(CCC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1)c1cc[nH+]cc1 ZINC000543716259 503864308 /nfs/dbraw/zinc/86/43/08/503864308.db2.gz FYAYHTVNKGDOOP-UHFFFAOYSA-N 2 0 366.509 3.210 20 0 FGADRP CC[C@@H]([NH2+]CC(=O)N1CCC[N@H+](Cc2ccc(C)cc2)CC1)C(C)(C)C ZINC000537291417 503870080 /nfs/dbraw/zinc/87/00/80/503870080.db2.gz QEPTWFMZOXESDQ-HXUWFJFHSA-N 2 0 359.558 3.444 20 0 FGADRP Cc1cc(C[NH2+]Cc2cccc(OCC[N@@H+](C)C3CCOCC3)c2)ccn1 ZINC000527651374 503876644 /nfs/dbraw/zinc/87/66/44/503876644.db2.gz AQOBPDJWEAUQPE-UHFFFAOYSA-N 2 0 369.509 3.169 20 0 FGADRP COc1cc(OC)c(C2CC[NH+](C3CCC(C[NH3+])CC3)CC2)c(OC)c1 ZINC000530211546 503878581 /nfs/dbraw/zinc/87/85/81/503878581.db2.gz MJXFOAKOOMKXCI-UHFFFAOYSA-N 2 0 362.514 3.409 20 0 FGADRP C[C@H]1C[N@H+](CCOc2ccc(CC[NH2+]Cc3ccccn3)cc2)C[C@H]1C ZINC000537351171 503886584 /nfs/dbraw/zinc/88/65/84/503886584.db2.gz FFDBLZXAGSKDLT-KDURUIRLSA-N 2 0 353.510 3.381 20 0 FGADRP Cc1oc(-c2cccs2)nc1CN1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530238588 503888085 /nfs/dbraw/zinc/88/80/85/503888085.db2.gz BHCRHDRXYZWWTG-INIZCTEOSA-N 2 0 361.511 3.302 20 0 FGADRP Clc1ccc(-n2ccc(CN3CCC(CO[C@@H]4CC[NH2+]C4)CC3)n2)cc1 ZINC000530238739 503888408 /nfs/dbraw/zinc/88/84/08/503888408.db2.gz BNEWXSGKAVFMML-HXUWFJFHSA-N 2 0 374.916 3.116 20 0 FGADRP Cc1cc(C)cc([C@H](C)[NH2+][C@@H](Cc2ccccc2)C(=O)NCC[NH+](C)C)c1 ZINC000540789107 503892708 /nfs/dbraw/zinc/89/27/08/503892708.db2.gz QUWOIVYDLIWKCF-UGKGYDQZSA-N 2 0 367.537 3.243 20 0 FGADRP Cc1cc(C[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)c(OC(F)F)cc1C ZINC000530248856 503894580 /nfs/dbraw/zinc/89/45/80/503894580.db2.gz QRKBWTFBIUJRKT-GOSISDBHSA-N 2 0 368.468 3.495 20 0 FGADRP C[NH+](C)CC1(CNC(=O)N2CCC[N@H+](Cc3ccccc3)CC2)CCCC1 ZINC000546861018 503905561 /nfs/dbraw/zinc/90/55/61/503905561.db2.gz QOWWUNLAIMBUKA-UHFFFAOYSA-N 2 0 372.557 3.026 20 0 FGADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000518205932 503927565 /nfs/dbraw/zinc/92/75/65/503927565.db2.gz SLVJFKOTRWPCPR-IAGOWNOFSA-N 2 0 366.575 3.305 20 0 FGADRP Cc1nn(C(C)(C)C)c(C)c1C[NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000533741319 503939139 /nfs/dbraw/zinc/93/91/39/503939139.db2.gz GBGWQENVGQGVRV-HZPDHXFCSA-N 2 0 350.551 3.234 20 0 FGADRP CC(C)[NH+]1CCN(C(=O)NC[C@H](c2ccccc2)[NH+]2CCC(C)CC2)CC1 ZINC000518363612 503963690 /nfs/dbraw/zinc/96/36/90/503963690.db2.gz DTMVKZYVGFXISN-OAQYLSRUSA-N 2 0 372.557 3.195 20 0 FGADRP COCC[C@H](c1ccccc1)[NH+]1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000533832053 503964233 /nfs/dbraw/zinc/96/42/33/503964233.db2.gz QJWZJXLCYBIINX-KCZVDYSFSA-N 2 0 359.558 3.255 20 0 FGADRP CCOc1cccc(C[NH+]2CCC(CC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)n1 ZINC000537658914 503994816 /nfs/dbraw/zinc/99/48/16/503994816.db2.gz CNBOKXLBPORYFQ-ROUUACIJSA-N 2 0 361.530 3.192 20 0 FGADRP C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)CN1CCC2(CCC[N@@H+]2C)CC1 ZINC000544116948 504013390 /nfs/dbraw/zinc/01/33/90/504013390.db2.gz JXVPBMYVCKPDQN-IBGZPJMESA-N 2 0 369.553 3.374 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CC[NH+](Cc3ccccc3)[C@@H]2C)[C@@H](C)C1 ZINC000518597845 504023893 /nfs/dbraw/zinc/02/38/93/504023893.db2.gz RXKAGRGFTIDIAN-ZSXPUABSSA-N 2 0 372.557 3.021 20 0 FGADRP CCN(CC)C(=O)C1([NH2+]Cc2cn(-c3cc[nH+]cc3)nc2C)CCCCC1 ZINC000544171439 504033067 /nfs/dbraw/zinc/03/30/67/504033067.db2.gz NKIJNQRGZVVOTO-UHFFFAOYSA-N 2 0 369.513 3.237 20 0 FGADRP CC(C)(C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C(=O)N1CCCC1 ZINC000528017992 504041492 /nfs/dbraw/zinc/04/14/92/504041492.db2.gz ZHDYIPQSSNQWHK-WKCHPHFGSA-N 2 0 369.553 3.420 20 0 FGADRP CC[C@H](C(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1)[NH+](CC)CC ZINC000530820748 504096568 /nfs/dbraw/zinc/09/65/68/504096568.db2.gz RJOUEXAFPUVXSA-JFIYKMOQSA-N 2 0 351.560 3.368 20 0 FGADRP CC[C@@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)[NH+](CC)CC ZINC000531056836 504173631 /nfs/dbraw/zinc/17/36/31/504173631.db2.gz BLGDXZZZDDGXJH-VTHDOGFWSA-N 2 0 357.542 3.419 20 0 FGADRP CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000541560936 504177613 /nfs/dbraw/zinc/17/76/13/504177613.db2.gz WNLXZYONASWCOH-RMJJICAUSA-N 2 0 359.558 3.426 20 0 FGADRP CN(CCC[NH+]1CCCC1)C(=O)NC[C@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000544598823 504186677 /nfs/dbraw/zinc/18/66/77/504186677.db2.gz YDCTXIJSRPUKSJ-OAQYLSRUSA-N 2 0 372.557 3.024 20 0 FGADRP CC(C)C[C@H]([NH2+]Cc1ccc(-c2ccccc2)o1)C(=O)NCC[NH+](C)C ZINC000534645842 504201774 /nfs/dbraw/zinc/20/17/74/504201774.db2.gz XPQMTULTCAUCAB-IBGZPJMESA-N 2 0 357.498 3.129 20 0 FGADRP O=C(NCc1ccccc1C[NH+]1CCCC1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000519370825 504205114 /nfs/dbraw/zinc/20/51/14/504205114.db2.gz XEWZWJFROAQEFF-OAQYLSRUSA-N 2 0 370.541 3.052 20 0 FGADRP CN1CC[NH+](CC2(C)CC[NH+](Cc3cccc(OC(C)(C)C)n3)CC2)CC1 ZINC000541663241 504213673 /nfs/dbraw/zinc/21/36/73/504213673.db2.gz OTZJVWDLWLWHIK-UHFFFAOYSA-N 2 0 374.573 3.108 20 0 FGADRP CC[NH+](CC)CC1CCN(C(=O)C2CCN(c3cc[nH+]cc3C)CC2)CC1 ZINC000531204362 504226554 /nfs/dbraw/zinc/22/65/54/504226554.db2.gz HKKKFMBNBQJXJR-UHFFFAOYSA-N 2 0 372.557 3.187 20 0 FGADRP C[C@H](C(=O)Nc1cc(F)ccc1F)N1CC[C@H](n2cnc3c2CCCC3)C1 ZINC000519517772 504236706 /nfs/dbraw/zinc/23/67/06/504236706.db2.gz HYQMRXIOZLJJOW-HIFRSBDPSA-N 2 0 374.435 3.314 20 0 FGADRP CCO[C@@H]1C[C@@H]([NH2+]Cc2ccnc(OCC[NH+](C)C)c2)C12CCCCC2 ZINC000538406468 504238360 /nfs/dbraw/zinc/23/83/60/504238360.db2.gz GUIGTLLMISJXIS-RTBURBONSA-N 2 0 361.530 3.240 20 0 FGADRP Cc1ccc(C[NH+]2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)c(-c2cnn(C)c2)c1 ZINC000519528673 504240806 /nfs/dbraw/zinc/24/08/06/504240806.db2.gz DNPRJLAYYSJRJA-FGZHOGPDSA-N 2 0 368.525 3.114 20 0 FGADRP C[NH+]1CCC(O)(C[NH2+][C@H]2CCc3c2cc(Cl)cc3Br)CC1 ZINC000534793897 504242300 /nfs/dbraw/zinc/24/23/00/504242300.db2.gz BOLLIKRARFFSKO-HNNXBMFYSA-N 2 0 373.722 3.136 20 0 FGADRP CC[C@H](C(=O)NC[C@H](c1ccc(SC)cc1)[NH+](C)C)[NH+](CC)CC ZINC000519532157 504243565 /nfs/dbraw/zinc/24/35/65/504243565.db2.gz HODHWZSBWBFNTP-QZTJIDSGSA-N 2 0 351.560 3.248 20 0 FGADRP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000541786731 504254602 /nfs/dbraw/zinc/25/46/02/504254602.db2.gz DYHVOFHQLSPFCO-NQIIRXRSSA-N 2 0 372.557 3.195 20 0 FGADRP Cc1ncc2c(n1)CC[C@H]([NH2+]CC(C)(C)C[N@H+](C)Cc1ccccc1)C2 ZINC000531333289 504270515 /nfs/dbraw/zinc/27/05/15/504270515.db2.gz WERRZFRFNXDCNO-FQEVSTJZSA-N 2 0 352.526 3.390 20 0 FGADRP C[C@@H](c1cccc2ccccc21)[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000519654316 504290018 /nfs/dbraw/zinc/29/00/18/504290018.db2.gz REWFKCXRMZLGSU-PKOBYXMFSA-N 2 0 351.494 3.045 20 0 FGADRP C(C[NH+]1CCC[C@@H]1C1CCOCC1)C[N@@H+]1CCC[C@@H]1C1CCOCC1 ZINC000538629040 504309340 /nfs/dbraw/zinc/30/93/40/504309340.db2.gz WYJBWCFJODTWJP-NHCUHLMSSA-N 2 0 350.547 3.159 20 0 FGADRP C[C@H]1C[N@H+](CCCOc2ccc(Cl)cc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000535013334 504313190 /nfs/dbraw/zinc/31/31/90/504313190.db2.gz YQKQMLYIASTUEH-FXAWDEMLSA-N 2 0 365.949 3.067 20 0 FGADRP C[NH+](C)[C@H](CNC(=O)C[N@H+](C)[C@@H]1CCCc2ccccc21)c1ccccc1 ZINC000548113649 504335530 /nfs/dbraw/zinc/33/55/30/504335530.db2.gz GVSAVYFFLKOGCO-FGZHOGPDSA-N 2 0 365.521 3.415 20 0 FGADRP CC1=CC[N@H+](CCNC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000548187590 504363275 /nfs/dbraw/zinc/36/32/75/504363275.db2.gz ODRKKRQNLYRSGG-UHFFFAOYSA-N 2 0 355.526 3.057 20 0 FGADRP CC(C)CCOCC[NH2+]Cc1c(Cl)cccc1N1CC[NH+](C)CC1 ZINC000538850434 504392986 /nfs/dbraw/zinc/39/29/86/504392986.db2.gz GPKKNZWECQFHTM-UHFFFAOYSA-N 2 0 353.938 3.244 20 0 FGADRP OC[C@@H](C[NH2+]C1CC[NH+](CCc2ccccc2)CC1)Cc1ccc(F)cc1 ZINC000531697413 504395710 /nfs/dbraw/zinc/39/57/10/504395710.db2.gz OEDGUJHGUHPMBE-OAQYLSRUSA-N 2 0 370.512 3.273 20 0 FGADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]CCNc1ncc(C(F)(F)F)cc1Cl ZINC000531723893 504405132 /nfs/dbraw/zinc/40/51/32/504405132.db2.gz RDYYEUNVSRQPNF-GYSYKLTISA-N 2 0 364.843 3.484 20 0 FGADRP Cc1ccc([C@@H](CNC(=O)NCC2([NH+](C)C)CCCCC2)[NH+](C)C)cc1 ZINC000520067353 504406818 /nfs/dbraw/zinc/40/68/18/504406818.db2.gz ISJDTONSPQDBFX-LJQANCHMSA-N 2 0 360.546 3.161 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)N2CCC[NH+](C(C)(C)C)CC2)C1 ZINC000520200334 504433851 /nfs/dbraw/zinc/43/38/51/504433851.db2.gz MKIHXSCRQHZAIJ-KDURUIRLSA-N 2 0 366.594 3.260 20 0 FGADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1sccc1Br ZINC000545311237 504440429 /nfs/dbraw/zinc/44/04/29/504440429.db2.gz KSAXHIXLQAFOBR-STQMWFEESA-N 2 0 360.365 3.187 20 0 FGADRP CC(C)(C)[NH+]1CCC([NH2+]C2CCN(C(=O)CCc3ccccc3)CC2)CC1 ZINC000539090346 504469083 /nfs/dbraw/zinc/46/90/83/504469083.db2.gz MWUSQRKASWIJKQ-UHFFFAOYSA-N 2 0 371.569 3.463 20 0 FGADRP CC(C)C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)NCC1=CC[NH+](C)CC1 ZINC000528970455 504474927 /nfs/dbraw/zinc/47/49/27/504474927.db2.gz ZMWGDDQKHZMQOA-FGZHOGPDSA-N 2 0 369.553 3.159 20 0 FGADRP C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+][C@H](C)Cn1ccnc1 ZINC000531937859 504480316 /nfs/dbraw/zinc/48/03/16/504480316.db2.gz XJZVAXZAKJUTHX-CHWSQXEVSA-N 2 0 354.376 3.297 20 0 FGADRP CC[C@H]([NH2+]CCCN1CC[N@H+](C)C[C@H]1c1ccccc1)C1CCOCC1 ZINC000531940005 504481506 /nfs/dbraw/zinc/48/15/06/504481506.db2.gz LITBUYRIUFECNS-VXKWHMMOSA-N 2 0 359.558 3.160 20 0 FGADRP CC[C@@H]([NH2+]CCCN1CC[N@H+](C)C[C@H]1c1ccccc1)C1CCOCC1 ZINC000531940006 504481775 /nfs/dbraw/zinc/48/17/75/504481775.db2.gz LITBUYRIUFECNS-YADHBBJMSA-N 2 0 359.558 3.160 20 0 FGADRP CC(C)CC[NH+]1CCC(CNC(=O)NCC[C@@H](C)[NH+]2CCCCC2)CC1 ZINC000542432008 504487317 /nfs/dbraw/zinc/48/73/17/504487317.db2.gz DPGMMJBYJXUTIC-LJQANCHMSA-N 2 0 366.594 3.308 20 0 FGADRP CC[N@H+](CCC1CCN(C(=O)NCCC[NH+]2CCCC2)CC1)CC(C)C ZINC000539178050 504493630 /nfs/dbraw/zinc/49/36/30/504493630.db2.gz LSHGEVALZLUIDD-UHFFFAOYSA-N 2 0 366.594 3.262 20 0 FGADRP Cc1cc(OCC[N@H+](C)CCN(C)C2CC[NH+](C)CC2)ccc1C(C)C ZINC000539221950 504501888 /nfs/dbraw/zinc/50/18/88/504501888.db2.gz HAWFFHDGTPKFGY-UHFFFAOYSA-N 2 0 361.574 3.455 20 0 FGADRP CC(C)N(C)C(=O)[C@H](C)[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000535681286 504505432 /nfs/dbraw/zinc/50/54/32/504505432.db2.gz RZRHAFXNYLOZTE-IBGZPJMESA-N 2 0 357.542 3.230 20 0 FGADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H](O)COc2cc(C)ccc2Cl)C[C@H]1C ZINC000542506816 504517620 /nfs/dbraw/zinc/51/76/20/504517620.db2.gz RMUPPRIVHYVSBX-IXDOHACOSA-N 2 0 354.922 3.193 20 0 FGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]CCCn2ccnc2C)CC1 ZINC000539311176 504526465 /nfs/dbraw/zinc/52/64/65/504526465.db2.gz FRGHXJILUBSTAJ-KRWDZBQOSA-N 2 0 373.520 3.213 20 0 FGADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)N[C@@H]2CC[NH+]([C@@H](C)c3ccccc3)C2)C1 ZINC000520578417 504533367 /nfs/dbraw/zinc/53/33/67/504533367.db2.gz KJLVJHUWOGXTMC-QKNQBKEWSA-N 2 0 372.557 3.242 20 0 FGADRP C[N@H+](CCC(=O)NCC1CCN(c2cc[nH+]cc2)CC1)C1CCCCC1 ZINC000548720821 504540527 /nfs/dbraw/zinc/54/05/27/504540527.db2.gz NHHORIMSKCUAMY-UHFFFAOYSA-N 2 0 358.530 3.069 20 0 FGADRP C[C@@H]([NH2+]CCCC[NH+]1CCN(C)CC1)c1ccc(Br)cc1 ZINC000532195617 504570310 /nfs/dbraw/zinc/57/03/10/504570310.db2.gz VUBNGCVFLDMBEF-OAHLLOKOSA-N 2 0 354.336 3.127 20 0 FGADRP CCC[C@@H]1CN(C(=O)NC2CC[NH+](CC)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000539459150 504579332 /nfs/dbraw/zinc/57/93/32/504579332.db2.gz RJRVFMXHEGVPMH-OAQYLSRUSA-N 2 0 372.557 3.167 20 0 FGADRP Cc1ccc(Cl)c(OC[C@@H](O)C[NH2+]CCCC[N@H+]2CCC[C@@H](C)C2)c1 ZINC000520797687 504584456 /nfs/dbraw/zinc/58/44/56/504584456.db2.gz IXAGRNYDHYXIPW-MSOLQXFVSA-N 2 0 368.949 3.490 20 0 FGADRP CCO[C@H]1C[C@H]([NH2+]Cc2ccc(N3CC[NH+](CC)CC3)nc2)C1(CC)CC ZINC000539498791 504591849 /nfs/dbraw/zinc/59/18/49/504591849.db2.gz YPKGUMLJKCFRTR-PMACEKPBSA-N 2 0 374.573 3.297 20 0 FGADRP Cc1ccc([C@H](CNC(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)[NH+](C)C)cc1 ZINC000520854021 504597006 /nfs/dbraw/zinc/59/70/06/504597006.db2.gz TYDJUYDFHPIALB-YADHBBJMSA-N 2 0 365.521 3.379 20 0 FGADRP CN(C)C1(C[NH2+]Cc2ccccc2N(C)C2CC[NH+](C)CC2)CCCC1 ZINC000532361842 504622745 /nfs/dbraw/zinc/62/27/45/504622745.db2.gz BOXKHROQKPJDHR-UHFFFAOYSA-N 2 0 358.574 3.181 20 0 FGADRP C[C@@H](NC(=O)N1CCC[N@@H+](C(C)(C)C)CC1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000542823085 504625591 /nfs/dbraw/zinc/62/55/91/504625591.db2.gz IWPKNMSSLVHNRC-QZTJIDSGSA-N 2 0 364.578 3.155 20 0 FGADRP CCCC[N@H+](CC)Cc1cccc(CNC(=O)N[C@@H]2CC[NH2+]C23CCC3)c1 ZINC000529316987 504633571 /nfs/dbraw/zinc/63/35/71/504633571.db2.gz MQTAMPXSBHTAOO-HXUWFJFHSA-N 2 0 372.557 3.392 20 0 FGADRP CC(C)c1nccc(NCCCC[NH+]2CCN(c3ccccc3)CC2)n1 ZINC000521089606 504648123 /nfs/dbraw/zinc/64/81/23/504648123.db2.gz STNHMTHVYRHGKV-UHFFFAOYSA-N 2 0 353.514 3.036 20 0 FGADRP C[C@H](CCN1C(=O)c2ccccc2C1=O)[NH2+][C@H](CC[NH+](C)C)C(C)(C)C ZINC000545954111 504653052 /nfs/dbraw/zinc/65/30/52/504653052.db2.gz LOELGVCCHVRUTI-CRAIPNDOSA-N 2 0 359.514 3.017 20 0 FGADRP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)CC(=O)Nc2cc(Cl)ccc2OC)C1 ZINC000532479464 504665111 /nfs/dbraw/zinc/66/51/11/504665111.db2.gz QDZUPBQHMFQMFN-CABCVRRESA-N 2 0 367.921 3.387 20 0 FGADRP C[NH+](C)CCOC1CC[NH+](Cc2ccccc2OCC(F)(F)F)CC1 ZINC000539832764 504708975 /nfs/dbraw/zinc/70/89/75/504708975.db2.gz YSWFZHVIGNCMEV-UHFFFAOYSA-N 2 0 360.420 3.170 20 0 FGADRP CCCC[N@H+](C)CC1CC[NH+]([C@@H](C)C(=O)N2CCc3ccccc32)CC1 ZINC000521431699 504736175 /nfs/dbraw/zinc/73/61/75/504736175.db2.gz LFDIWNVCZYSODA-SFHVURJKSA-N 2 0 357.542 3.408 20 0 FGADRP CC(C)[NH+]1CCN(c2cccc(NC(=O)C[C@H](C)[C@@H]3CCC[NH2+]C3)c2)CC1 ZINC000521620168 504765152 /nfs/dbraw/zinc/76/51/52/504765152.db2.gz JNROYVTZDLPIQK-RBUKOAKNSA-N 2 0 372.557 3.181 20 0 FGADRP CC(C)c1[nH+]c(CN2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)c2ccccn21 ZINC000565081928 504789172 /nfs/dbraw/zinc/78/91/72/504789172.db2.gz WOOGBOBHBDAVRS-FFZOFVMBSA-N 2 0 356.514 3.141 20 0 FGADRP CC(C)c1[nH+]c(CN2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)c2ccccn21 ZINC000565081929 504789280 /nfs/dbraw/zinc/78/92/80/504789280.db2.gz WOOGBOBHBDAVRS-LSTHTHJFSA-N 2 0 356.514 3.141 20 0 FGADRP c1cnc(N2CC[NH+](CCCC[NH2+][C@H]3CCCC34CCCC4)CC2)nc1 ZINC000556077502 504791655 /nfs/dbraw/zinc/79/16/55/504791655.db2.gz ZNEVXZPRUJOANQ-IBGZPJMESA-N 2 0 357.546 3.081 20 0 FGADRP COCC[N@H+](C)CCCC1CC[NH+]([C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000556124034 504800854 /nfs/dbraw/zinc/80/08/54/504800854.db2.gz WQZWFPGQXFXXOE-QHCPKHFHSA-N 2 0 373.585 3.331 20 0 FGADRP Cc1nocc1C[NH2+]CCc1ccc(OCC[NH+]2C[C@@H](C)[C@H](C)C2)cc1 ZINC000559294011 504822722 /nfs/dbraw/zinc/82/27/22/504822722.db2.gz ABRNNPXOELHNMB-IAGOWNOFSA-N 2 0 357.498 3.282 20 0 FGADRP CC[C@@H]1C[N@H+](Cc2cncc(C[NH+]3CCCO[C@@H](CC)C3)c2)CCCO1 ZINC000556271404 504833544 /nfs/dbraw/zinc/83/35/44/504833544.db2.gz LDMLLTSLBFIHER-OYRHEFFESA-N 2 0 361.530 3.083 20 0 FGADRP C[C@@H](c1ccc(F)cc1)N1CC[C@H]([NH+]2CCC(c3c[nH]cn3)CC2)C1=O ZINC000549526838 504842225 /nfs/dbraw/zinc/84/22/25/504842225.db2.gz ANNUBFDJCRDSKO-LIRRHRJNSA-N 2 0 356.445 3.090 20 0 FGADRP C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000553169930 504842867 /nfs/dbraw/zinc/84/28/67/504842867.db2.gz IPCRZVVUHGMTHP-HMXCVIKNSA-N 2 0 355.526 3.126 20 0 FGADRP C[C@H]1C[C@H](NC(=O)NCC2CC[NH+](Cc3cccs3)CC2)c2nccn21 ZINC000562587118 504869533 /nfs/dbraw/zinc/86/95/33/504869533.db2.gz SGHCKAIPGPUHTD-YOEHRIQHSA-N 2 0 373.526 3.162 20 0 FGADRP O=C(C[NH2+][C@@H](c1ccc(Cl)cc1)C1CC1)NC1CC[NH+](C2CC2)CC1 ZINC000553315035 504880929 /nfs/dbraw/zinc/88/09/29/504880929.db2.gz MOMHMSKWDBQEOT-HXUWFJFHSA-N 2 0 361.917 3.124 20 0 FGADRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)c1ccc2c[nH+]cn2c1 ZINC000559546418 504884585 /nfs/dbraw/zinc/88/45/85/504884585.db2.gz FYEJHUWLKPWMBE-LFUKPOHLSA-N 2 0 362.477 3.221 20 0 FGADRP Clc1ccc([C@@H]2CCC[C@@H]2[NH2+]Cc2nnc(C3CC[NH2+]CC3)[nH]2)cc1 ZINC000565476557 504899279 /nfs/dbraw/zinc/89/92/79/504899279.db2.gz RPBXOQSEFDQPLJ-IRXDYDNUSA-N 2 0 359.905 3.351 20 0 FGADRP [NH3+][C@@H]1CCO[C@@H](C2CC[NH+](Cc3cccc(-c4ccccn4)c3)CC2)C1 ZINC000562751384 504933459 /nfs/dbraw/zinc/93/34/59/504933459.db2.gz OZCFXBWTHQUIMV-IFMALSPDSA-N 2 0 351.494 3.467 20 0 FGADRP C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000562767508 504938325 /nfs/dbraw/zinc/93/83/25/504938325.db2.gz IMTBOISKPUZXIE-UHFFFAOYSA-N 2 0 370.472 3.067 20 0 FGADRP O=C(NCc1ccccc1C[NH+]1CCCC1)Nc1cccc2c1CC[NH2+]C2 ZINC000562770828 504939625 /nfs/dbraw/zinc/93/96/25/504939625.db2.gz VHWTWMISKOUITQ-UHFFFAOYSA-N 2 0 364.493 3.250 20 0 FGADRP C[C@@H]1C[C@@H]1N1C[C@@H]([NH2+]C2CCC([N@H+](C)Cc3ccccc3)CC2)CC1=O ZINC000559913384 504949720 /nfs/dbraw/zinc/94/97/20/504949720.db2.gz KIVJKLRCLDYYHT-UPUXWEDPSA-N 2 0 355.526 3.029 20 0 FGADRP C[C@@H]1C[C@H]1N1C[C@@H]([NH2+]C2CCC([N@H+](C)Cc3ccccc3)CC2)CC1=O ZINC000559913383 504949820 /nfs/dbraw/zinc/94/98/20/504949820.db2.gz KIVJKLRCLDYYHT-UBBNFRCJSA-N 2 0 355.526 3.029 20 0 FGADRP c1ccc(C[N@H+]2CC[C@H]([NH2+]CCOC[C@@H]3CCCO3)[C@H]3CCC[C@H]32)cc1 ZINC000565757695 504979066 /nfs/dbraw/zinc/97/90/66/504979066.db2.gz CZHMYARAKDOKAP-LNRXMEIDSA-N 2 0 358.526 3.215 20 0 FGADRP C[N@H+](Cc1ccccc1CNC(=O)NC1CC[NH2+]CC1)C1CCCCC1 ZINC000565764345 504981931 /nfs/dbraw/zinc/98/19/31/504981931.db2.gz GMCHUACWXSOFGH-UHFFFAOYSA-N 2 0 358.530 3.002 20 0 FGADRP C[C@@H]1CC[C@@H]([NH2+]C[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)[C@@H](n2cncn2)C1 ZINC000562962874 505000616 /nfs/dbraw/zinc/00/06/16/505000616.db2.gz XDXIGHFFDMBBKD-AQDHKIAYSA-N 2 0 371.504 3.130 20 0 FGADRP COCC[N@H+](C)CCCN[C@@H]1CCCC[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]21 ZINC000556874131 505001973 /nfs/dbraw/zinc/00/19/73/505001973.db2.gz WMRFDQJEDAQCHY-XPWALMASSA-N 2 0 373.585 3.235 20 0 FGADRP Clc1ccc([C@@H]2OCC[C@H]2[NH2+]Cc2cc(C3CC[NH2+]CC3)no2)cc1 ZINC000562970139 505004242 /nfs/dbraw/zinc/00/42/42/505004242.db2.gz WHQRAMBHUDEPAG-MJGOQNOKSA-N 2 0 361.873 3.415 20 0 FGADRP CC[NH+](CC)Cc1cccc(CNC(=O)N(C)CCC[NH+]2CCCC2)c1 ZINC000553777520 505007013 /nfs/dbraw/zinc/00/70/13/505007013.db2.gz ZMJSYXRRYPRENC-UHFFFAOYSA-N 2 0 360.546 3.156 20 0 FGADRP O[C@H](C[NH2+]Cc1ccccc1C[NH+]1CCCCC1)COCc1ccccc1 ZINC000562984187 505009862 /nfs/dbraw/zinc/00/98/62/505009862.db2.gz DYANQTZCSVNADZ-HSZRJFAPSA-N 2 0 368.521 3.340 20 0 FGADRP CC1(C)CC([NH2+]C[C@H](O)CO[C@@H]2CCCc3ccccc32)CC(C)(C)[NH2+]1 ZINC000550328015 505023946 /nfs/dbraw/zinc/02/39/46/505023946.db2.gz KJPYHWJPVWYAKB-AZUAARDMSA-N 2 0 360.542 3.340 20 0 FGADRP [NH3+]C[C@@H](NC(=O)N1CCc2ccccc2[C@@H]1C[NH3+])c1ccc2ccccc2c1 ZINC000563092026 505045931 /nfs/dbraw/zinc/04/59/31/505045931.db2.gz IHIMDTUOPDFTAT-YADHBBJMSA-N 2 0 374.488 3.107 20 0 FGADRP C[NH+](C)CCCCC(=O)Nc1ccc(NC(=O)C[NH+]2CCCCCC2)cc1 ZINC000557042119 505051995 /nfs/dbraw/zinc/05/19/95/505051995.db2.gz LPPVESKBUOEPPB-UHFFFAOYSA-N 2 0 374.529 3.172 20 0 FGADRP C[C@H](C(=O)N1CCCC[C@H]1C[NH+](C)C)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000553975771 505057898 /nfs/dbraw/zinc/05/78/98/505057898.db2.gz MQSYYZNHFKONOP-KNQAVFIVSA-N 2 0 371.569 3.272 20 0 FGADRP C[C@@H](NC(=O)CC[N@@H+]1CCc2ccccc2C1)[C@H](c1ccccc1)[NH+](C)C ZINC000557072658 505059065 /nfs/dbraw/zinc/05/90/65/505059065.db2.gz WVKFCHPMWUEPKP-WZONZLPQSA-N 2 0 365.521 3.242 20 0 FGADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H]2CCc3sc(Br)cc32)CC1 ZINC000550623437 505075643 /nfs/dbraw/zinc/07/56/43/505075643.db2.gz YEYWMZGCDKLYEJ-JSGCOSHPSA-N 2 0 372.376 3.114 20 0 FGADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+]C2CCN(C(=O)C3CC3)CC2)CC1 ZINC000560515021 505110905 /nfs/dbraw/zinc/11/09/05/505110905.db2.gz VWYFFPYMHGSZRA-UHFFFAOYSA-N 2 0 369.553 3.420 20 0 FGADRP O=C(CC[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2)N1CCCCC1 ZINC000563339140 505112893 /nfs/dbraw/zinc/11/28/93/505112893.db2.gz LHFDQNMQLTXHOM-QHCPKHFHSA-N 2 0 369.553 3.377 20 0 FGADRP C[C@]1(c2ccccc2)CC[C@H]([N@@H+]2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)C1 ZINC000566230597 505119917 /nfs/dbraw/zinc/11/99/17/505119917.db2.gz INAUHNALLQIITH-RJSMDTJLSA-N 2 0 369.553 3.077 20 0 FGADRP CC[NH2+]CC1CC[NH+]([C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)CC1 ZINC000566246393 505122959 /nfs/dbraw/zinc/12/29/59/505122959.db2.gz OKUXLIRFHYOJOU-QGZVFWFLSA-N 2 0 370.324 3.420 20 0 FGADRP O=C(NC1CC[NH+](CC2CCCC2)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000563375806 505125307 /nfs/dbraw/zinc/12/53/07/505125307.db2.gz XYGLQNLQIHKSFU-NRFANRHFSA-N 2 0 369.553 3.279 20 0 FGADRP CC(C)[N@H+](C)CC1CCN(C(=O)N[C@H]2CC[NH+](C)[C@@H]2c2ccccc2)CC1 ZINC000551111675 505159433 /nfs/dbraw/zinc/15/94/33/505159433.db2.gz NVZBNVNLMWHLGC-LEWJYISDSA-N 2 0 372.557 3.194 20 0 FGADRP Cc1ccc(C)c(OC[C@@H](O)C[NH2+]Cc2cccc(C[NH+](C)C)c2)c1C ZINC000563529278 505167552 /nfs/dbraw/zinc/16/75/52/505167552.db2.gz XMBOTIVVESYMHA-NRFANRHFSA-N 2 0 356.510 3.203 20 0 FGADRP CC1(C)OCC[C@H]1[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000551265434 505188201 /nfs/dbraw/zinc/18/82/01/505188201.db2.gz VKWODOHPQOZXKD-VQTJNVASSA-N 2 0 358.526 3.072 20 0 FGADRP CCC(C)(C)[NH2+][C@H](C)C(=O)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000557643113 505191493 /nfs/dbraw/zinc/19/14/93/505191493.db2.gz DVEADCINZWGDHL-XMSQKQJNSA-N 2 0 357.542 3.278 20 0 FGADRP CC(C)CN(C(=O)CN1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1)C1CC1 ZINC000563658154 505203290 /nfs/dbraw/zinc/20/32/90/505203290.db2.gz UQMDPASJKRYTKP-NHCUHLMSSA-N 2 0 369.553 3.087 20 0 FGADRP C[C@@H]1CC[N@H+](CC(=O)NCc2ccc(C[NH+]3C[C@H](C)C[C@@H](C)C3)cc2)C1 ZINC000554597631 505217102 /nfs/dbraw/zinc/21/71/02/505217102.db2.gz OCPVNYADEVEGSK-GUDVDZBRSA-N 2 0 357.542 3.123 20 0 FGADRP CC[NH2+]CCCNC(=O)NCc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000566667641 505238121 /nfs/dbraw/zinc/23/81/21/505238121.db2.gz TWAYHXUGOJWRDP-UHFFFAOYSA-N 2 0 360.546 3.250 20 0 FGADRP CC(C)(CC[NH+]1CCCCCC1)NC(=O)Nc1cnc2c(c1)C[C@@H]([NH3+])CC2 ZINC000563944682 505284135 /nfs/dbraw/zinc/28/41/35/505284135.db2.gz PIJSAUQFPQXHKH-KRWDZBQOSA-N 2 0 373.545 3.064 20 0 FGADRP C[C@H]1C[NH2+]CC[C@H]1[NH2+]Cc1cn(Cc2ccccc2)nc1-c1cccnc1 ZINC000563944405 505284142 /nfs/dbraw/zinc/28/41/42/505284142.db2.gz HUPGOOXIRHVPIG-LAUBAEHRSA-N 2 0 361.493 3.081 20 0 FGADRP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC000561222462 505285181 /nfs/dbraw/zinc/28/51/81/505285181.db2.gz MMMBZKIVZYKPTG-SFHVURJKSA-N 2 0 359.558 3.421 20 0 FGADRP CC(C)[NH+]1CCN(CCC[N@H+](C)[C@@]2(c3ccccc3)CCCCC2=O)CC1 ZINC000551735469 505295265 /nfs/dbraw/zinc/29/52/65/505295265.db2.gz XTYXQAHHLLDMHY-HSZRJFAPSA-N 2 0 371.569 3.373 20 0 FGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccccc2Cn2ccnc2)[C@H](C)C1 ZINC000564008591 505301139 /nfs/dbraw/zinc/30/11/39/505301139.db2.gz LHVXGOAAGFURFM-DENIHFKCSA-N 2 0 370.541 3.158 20 0 FGADRP C[C@H](C(=O)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1)[NH+]1CCCCCC1 ZINC000561282978 505304684 /nfs/dbraw/zinc/30/46/84/505304684.db2.gz LFDPLERPCYMFDW-NFBKMPQASA-N 2 0 369.553 3.376 20 0 FGADRP CN(c1ccccc1C[N@@H+]1CCC[C@H]1[C@H]1CCCO1)C1CC[NH+](C)CC1 ZINC000551813593 505316419 /nfs/dbraw/zinc/31/64/19/505316419.db2.gz NFTPSWNGVJEREW-FCHUYYIVSA-N 2 0 357.542 3.360 20 0 FGADRP CC(C)[N@@H+](C)C[C@H](C)NC(=O)NCc1ccc(C[NH+]2CCC[C@@H](C)C2)cc1 ZINC000567006206 505336173 /nfs/dbraw/zinc/33/61/73/505336173.db2.gz FLLWQHBPFCDEJE-MOPGFXCFSA-N 2 0 374.573 3.446 20 0 FGADRP COc1c(O)cccc1CN1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000564312530 505380121 /nfs/dbraw/zinc/38/01/21/505380121.db2.gz NIQLRMAHLATGCI-JOCHJYFZSA-N 2 0 352.478 3.499 20 0 FGADRP C[N@@H+]1CC[C@H]([NH2+]C[C@H](CO)Cc2ccccc2C(F)(F)F)[C@@H]2CCC[C@H]21 ZINC000552063310 505386671 /nfs/dbraw/zinc/38/66/71/505386671.db2.gz VXKOQCNBYYBOAC-TWKWOARYSA-N 2 0 370.459 3.319 20 0 FGADRP COc1ccc(CC[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)c(Cl)c1OC ZINC000567223695 505399871 /nfs/dbraw/zinc/39/98/71/505399871.db2.gz UVBSTLFQXXJXTB-XHSDSOJGSA-N 2 0 352.906 3.362 20 0 FGADRP CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)CC[C@@H]2CCCC[N@@H+]2C)c1 ZINC000561654641 505401215 /nfs/dbraw/zinc/40/12/15/505401215.db2.gz AIFQGYZPFHTYIL-IBGZPJMESA-N 2 0 374.529 3.170 20 0 FGADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@H]1CCc2cnn(C(C)C)c2C1 ZINC000567440044 505462798 /nfs/dbraw/zinc/46/27/98/505462798.db2.gz WNSCAIZHKPOHBQ-SFHVURJKSA-N 2 0 350.470 3.000 20 0 FGADRP CC(C)[N@@H+]1CC[C@@H](C[NH2+]C2CCN(C(=O)c3ccccc3Cl)CC2)C1 ZINC000561976443 505482979 /nfs/dbraw/zinc/48/29/79/505482979.db2.gz FUKMJPSPMDWWRB-INIZCTEOSA-N 2 0 363.933 3.265 20 0 FGADRP CC1(C)C[N@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)[C@@H]2CCC[C@H]21 ZINC000555712741 505497434 /nfs/dbraw/zinc/49/74/34/505497434.db2.gz WTFWFRHWIZGBRV-NHCUHLMSSA-N 2 0 369.553 3.409 20 0 FGADRP Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+][C@H](C)C[C@H](C)[NH3+] ZINC000567589184 505507756 /nfs/dbraw/zinc/50/77/56/505507756.db2.gz ZRLRCVMIWBWQRC-NWDGAFQWSA-N 2 0 351.292 3.159 20 0 FGADRP Cc1nc(-c2ccc(CC[NH2+][C@@H]3CCOC[C@H]3[C@@H](C)[NH3+])s2)cs1 ZINC000564791830 505520929 /nfs/dbraw/zinc/52/09/29/505520929.db2.gz OCMAZKADUWPLKC-BYCMXARLSA-N 2 0 351.541 3.064 20 0 FGADRP Cc1ccc(Cl)c(OC[C@H](O)C[NH2+]Cc2cccc(C[NH+](C)C)c2)c1 ZINC000564793389 505521920 /nfs/dbraw/zinc/52/19/20/505521920.db2.gz GRJPWQULVCEZOU-GOSISDBHSA-N 2 0 362.901 3.240 20 0 FGADRP COc1cccc(CC[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c1OC ZINC000567641634 505522629 /nfs/dbraw/zinc/52/26/29/505522629.db2.gz YWUKOXMZDIPVOM-PGRDOPGGSA-N 2 0 368.477 3.092 20 0 FGADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000562120521 505523146 /nfs/dbraw/zinc/52/31/46/505523146.db2.gz MCZPZJNVLUPVEZ-PMACEKPBSA-N 2 0 369.553 3.374 20 0 FGADRP COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000567652904 505525253 /nfs/dbraw/zinc/52/52/53/505525253.db2.gz LRUTXQBRDLWWEZ-RZLSGREXSA-N 2 0 365.905 3.043 20 0 FGADRP C[C@@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)[C@@H]1C[C@H]1c1ccccc1 ZINC000558920610 505530603 /nfs/dbraw/zinc/53/06/03/505530603.db2.gz PXBCUDMRDNAXEQ-QMMLZNLJSA-N 2 0 350.510 3.115 20 0 FGADRP C[C@H](C[NH2+]C[C@H](O)CO[C@@H](C)c1ccc(Cl)cc1)C[NH+]1CCCC1 ZINC000567678559 505533444 /nfs/dbraw/zinc/53/34/44/505533444.db2.gz WBURQCBQIPTJHH-GJYPPUQNSA-N 2 0 354.922 3.100 20 0 FGADRP O[C@@H](C[NH2+]CC1CC[NH+](C2CC2)CC1)COc1ccc(Cl)cc1Cl ZINC000567700001 505541556 /nfs/dbraw/zinc/54/15/56/505541556.db2.gz BZCKHNLPNIIGIH-INIZCTEOSA-N 2 0 373.324 3.197 20 0 FGADRP CC[NH+](CC)C[C@@H](C)NC(=O)NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000562240400 505549229 /nfs/dbraw/zinc/54/92/29/505549229.db2.gz DEDNJFKWIZORMR-TZIWHRDSSA-N 2 0 374.573 3.318 20 0 FGADRP C[NH+](C)CCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@@H]1CCC[NH2+]C1 ZINC000567730149 505551772 /nfs/dbraw/zinc/55/17/72/505551772.db2.gz RXUGHMNDQOKVKJ-OAHLLOKOSA-N 2 0 372.340 3.273 20 0 FGADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000564922088 505558607 /nfs/dbraw/zinc/55/86/07/505558607.db2.gz HVLHZWKXYCUSHJ-HKUYNNGSSA-N 2 0 363.933 3.056 20 0 FGADRP Cc1cc(NC(=O)[C@@H](C(C)C)[C@@H](C)[NH3+])cc(N2CC[NH+](C(C)C)CC2)c1 ZINC000564940195 505561644 /nfs/dbraw/zinc/56/16/44/505561644.db2.gz LNMCCYOWVSEZOV-XLIONFOSSA-N 2 0 360.546 3.083 20 0 FGADRP COc1cccc2c1OCC[C@H]2[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000603518934 506541954 /nfs/dbraw/zinc/54/19/54/506541954.db2.gz QYQQOGNUBSTOLV-LJQANCHMSA-N 2 0 356.466 3.249 20 0 FGADRP CN1CC[NH+](CCCC[NH2+]Cc2cnc(-c3ccccc3F)s2)CC1 ZINC000583184650 506634952 /nfs/dbraw/zinc/63/49/52/506634952.db2.gz ALYKTDWWEZQGDD-UHFFFAOYSA-N 2 0 362.518 3.066 20 0 FGADRP C[C@H](CNC(=O)N1CC[C@H]([N@H+](C)Cc2ccccc2)C1)[NH+]1CCC(C)CC1 ZINC000608656138 506651972 /nfs/dbraw/zinc/65/19/72/506651972.db2.gz LDLOTPAVIKWRCN-CTNGQTDRSA-N 2 0 372.557 3.023 20 0 FGADRP C[NH+](C)CCCOc1ccc(NC(=O)N2CCC[C@H]([NH+]3CCCC3)C2)cc1 ZINC000593500469 506655263 /nfs/dbraw/zinc/65/52/63/506655263.db2.gz QEFFCWTWDMPUDN-IBGZPJMESA-N 2 0 374.529 3.109 20 0 FGADRP [NH3+][C@H]1CCO[C@H](C2CC[NH+](Cc3cccc(-c4ccncc4)c3)CC2)C1 ZINC000583310228 506710966 /nfs/dbraw/zinc/71/09/66/506710966.db2.gz WUHJILXZRRDORD-VXKWHMMOSA-N 2 0 351.494 3.467 20 0 FGADRP [NH3+][C@H]1CCO[C@@H](C2CC[NH+](Cc3cccc(-c4ccncc4)c3)CC2)C1 ZINC000583310226 506711006 /nfs/dbraw/zinc/71/10/06/506711006.db2.gz WUHJILXZRRDORD-FCHUYYIVSA-N 2 0 351.494 3.467 20 0 FGADRP COc1ccccc1[C@H](CNC(=O)C[C@H]1CCCC[C@H]1[NH3+])[NH+]1CCCCC1 ZINC000583319757 506715984 /nfs/dbraw/zinc/71/59/84/506715984.db2.gz GWVOKRWATDURHY-RLLQIKCJSA-N 2 0 373.541 3.246 20 0 FGADRP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccc(-c4scnc4C)cc3)C2)CC1 ZINC000597003866 506726485 /nfs/dbraw/zinc/72/64/85/506726485.db2.gz UBABFLYVDNDEAZ-HXUWFJFHSA-N 2 0 370.566 3.330 20 0 FGADRP CCC[N@@H+]1CC[C@H](CNC(=O)N[C@H](C[NH+]2CCCCC2)c2ccccc2)C1 ZINC000604179913 506738899 /nfs/dbraw/zinc/73/88/99/506738899.db2.gz WNRQPIUSSRDSGZ-TZIWHRDSSA-N 2 0 372.557 3.245 20 0 FGADRP CC[N@@H+]1CCC[C@@H](CNC(=O)N[C@H](C[NH+]2CCCCC2)c2ccccc2)C1 ZINC000604193599 506745096 /nfs/dbraw/zinc/74/50/96/506745096.db2.gz BEXPVYRRFXAPDN-PZJWPPBQSA-N 2 0 372.557 3.245 20 0 FGADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)N[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000604195900 506747432 /nfs/dbraw/zinc/74/74/32/506747432.db2.gz WYJMGMYGJJPOSM-SFTDATJTSA-N 2 0 372.557 3.387 20 0 FGADRP CCCC[N@H+](C)CCNC(=O)N[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000604199989 506748269 /nfs/dbraw/zinc/74/82/69/506748269.db2.gz UIGRTNHVMIMYOD-FQEVSTJZSA-N 2 0 360.546 3.245 20 0 FGADRP Cc1cnc2cc(C(=O)NC[C@@H](c3ccccc3Cl)N(C)C)ccn12 ZINC000583389713 506753103 /nfs/dbraw/zinc/75/31/03/506753103.db2.gz VLLCKKKOWPLCSF-KRWDZBQOSA-N 2 0 356.857 3.329 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccc(-c2ccccc2)[nH]1 ZINC000600078536 506766701 /nfs/dbraw/zinc/76/67/01/506766701.db2.gz NFEKFTGZCGTRFR-IBGZPJMESA-N 2 0 368.525 3.170 20 0 FGADRP CCOC(=O)c1cccc(C[NH2+]CC2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000600129698 506792185 /nfs/dbraw/zinc/79/21/85/506792185.db2.gz JZMSXLBBVYTVCU-UHFFFAOYSA-N 2 0 367.493 3.260 20 0 FGADRP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000612962686 506839934 /nfs/dbraw/zinc/83/99/34/506839934.db2.gz ISZPSSSXRDNGOZ-FXAWDEMLSA-N 2 0 370.541 3.002 20 0 FGADRP C[C@@H]1[C@H](NC(=O)N2CCC[NH+](C(C)(C)C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000583583940 506862315 /nfs/dbraw/zinc/86/23/15/506862315.db2.gz LSLAFUQMWRCDMH-UYAOXDASSA-N 2 0 372.557 3.165 20 0 FGADRP CC(C)(C)OC(=O)[C@H](C[NH2+]C1CCN(c2cc[nH+]cc2)CC1)C1CCC1 ZINC000597256813 506865793 /nfs/dbraw/zinc/86/57/93/506865793.db2.gz HGHVHECRMHWQEH-LJQANCHMSA-N 2 0 359.514 3.398 20 0 FGADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000594099581 506938380 /nfs/dbraw/zinc/93/83/80/506938380.db2.gz INGDZCBMYMBNNV-NRFANRHFSA-N 2 0 372.557 3.297 20 0 FGADRP Cc1ccccc1C[NH+]1CCC(NC(=O)NC[C@@H]2[NH2+]CCCC2(C)C)CC1 ZINC000583920552 507050536 /nfs/dbraw/zinc/05/05/36/507050536.db2.gz JQRATCKVAMLOAT-FQEVSTJZSA-N 2 0 372.557 3.037 20 0 FGADRP CC(C)c1ccc([C@H]([NH3+])CNC(=O)N2CC[N@@H+](C3CCC3)C[C@H](C)C2)cc1 ZINC000583921540 507051845 /nfs/dbraw/zinc/05/18/45/507051845.db2.gz JGXHGTDWHFBBKQ-LAUBAEHRSA-N 2 0 372.557 3.326 20 0 FGADRP O=C(N[C@H](C[NH+]1CCCC1)c1ccccc1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000594288927 507065135 /nfs/dbraw/zinc/06/51/35/507065135.db2.gz ZCBMTYUVXHHKRH-NHCUHLMSSA-N 2 0 370.541 3.093 20 0 FGADRP CCOC(=O)C1([C@H](C)[NH2+]Cc2csc(C(F)(F)F)c2)CC[NH2+]CC1 ZINC000600710559 507076588 /nfs/dbraw/zinc/07/65/88/507076588.db2.gz ORTCHECVALCRSA-NSHDSACASA-N 2 0 364.433 3.178 20 0 FGADRP CCCC[N@H+](C)CC1CC[NH+](CC(=O)N(C)Cc2ccccc2C)CC1 ZINC000613491452 507117597 /nfs/dbraw/zinc/11/75/97/507117597.db2.gz SISYVILOUJLVHR-UHFFFAOYSA-N 2 0 359.558 3.397 20 0 FGADRP CCCC[N@H+](C)CC1CC[NH+](CC(=O)NCc2ccc(C)c(F)c2)CC1 ZINC000613493078 507117835 /nfs/dbraw/zinc/11/78/35/507117835.db2.gz WGCFDEVRCBGPAT-UHFFFAOYSA-N 2 0 363.521 3.194 20 0 FGADRP C[NH+](C)Cc1cccc(CNC(=O)NCCCCC[NH+]2CCCCC2)c1 ZINC000600844351 507145052 /nfs/dbraw/zinc/14/50/52/507145052.db2.gz HBKDXHWMQATVLB-UHFFFAOYSA-N 2 0 360.546 3.204 20 0 FGADRP CC[NH+](CC)CCOc1ccc(NC(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000605340118 507153768 /nfs/dbraw/zinc/15/37/68/507153768.db2.gz MHXDUAYNMQJGAH-MOPGFXCFSA-N 2 0 374.529 3.156 20 0 FGADRP C[NH+](C)CCCC1CCN(C(=O)[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000584130878 507168333 /nfs/dbraw/zinc/16/83/33/507168333.db2.gz VCFPKJPMOZYOBP-NRFANRHFSA-N 2 0 357.542 3.089 20 0 FGADRP CSC1(C[NH2+]Cc2cn(-c3ccc(C)cc3)nc2C)CC[NH+](C)CC1 ZINC000594520575 507169064 /nfs/dbraw/zinc/16/90/64/507169064.db2.gz LTVYMSBSYFAWMW-UHFFFAOYSA-N 2 0 358.555 3.406 20 0 FGADRP COc1ccc([C@H](C)[C@H](C)[NH2+]Cc2ccncc2OCC[NH+](C)C)cc1 ZINC000584136828 507171043 /nfs/dbraw/zinc/17/10/43/507171043.db2.gz RJTOIDNDKJOQJF-SJORKVTESA-N 2 0 357.498 3.312 20 0 FGADRP CCC[NH+]1CCC(C[NH2+]C[C@H](O)COc2cccc3ccccc32)CC1 ZINC000584167907 507190262 /nfs/dbraw/zinc/19/02/62/507190262.db2.gz LGFBSKADRUDRQI-FQEVSTJZSA-N 2 0 356.510 3.291 20 0 FGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+][C@@H](C)c2cncnc2C)CC1 ZINC000584182662 507199654 /nfs/dbraw/zinc/19/96/54/507199654.db2.gz HPOKLPFZQLGQHB-SJORKVTESA-N 2 0 371.504 3.478 20 0 FGADRP O=C(CC[N@@H+]1CC[C@@H](Oc2ccncc2)C1)N[C@@H]1CCCc2ccccc21 ZINC000584218275 507219693 /nfs/dbraw/zinc/21/96/93/507219693.db2.gz LGITWUIZQKVNKI-TZIWHRDSSA-N 2 0 365.477 3.119 20 0 FGADRP C[C@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)NC[C@@H](C1CC1)[NH+](C)C ZINC000591438016 507249724 /nfs/dbraw/zinc/24/97/24/507249724.db2.gz PEEOOHSQGLYUNB-PXNSSMCTSA-N 2 0 373.541 3.010 20 0 FGADRP COc1ccc(-c2n[nH]cc2C[NH2+]CC2(SC)CC[NH+](C)CC2)cc1 ZINC000584284565 507258473 /nfs/dbraw/zinc/25/84/73/507258473.db2.gz VCKSQWYLXFCPEW-UHFFFAOYSA-N 2 0 360.527 3.002 20 0 FGADRP CC(C)[C@H](CNC(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1)[NH+]1CCCC1 ZINC000591538303 507281409 /nfs/dbraw/zinc/28/14/09/507281409.db2.gz FFGNSVQTGXXYRR-SFTDATJTSA-N 2 0 372.557 3.243 20 0 FGADRP CC(C)[NH2+][C@H]1CCCN(C(=O)NCC2([NH+]3CCCCC3)CCCCC2)C1 ZINC000601210806 507297025 /nfs/dbraw/zinc/29/70/25/507297025.db2.gz KAQJOANSEWWXDB-IBGZPJMESA-N 2 0 364.578 3.347 20 0 FGADRP Cc1ccc([C@@H](CNC(=O)NC[C@H](C(C)C)[NH+]2CCCC2)[NH+](C)C)cc1 ZINC000591579248 507301276 /nfs/dbraw/zinc/30/12/76/507301276.db2.gz GFGMXKAKTIFHQK-WOJBJXKFSA-N 2 0 360.546 3.017 20 0 FGADRP COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]CC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000594925356 507317207 /nfs/dbraw/zinc/31/72/07/507317207.db2.gz RXVJUXYRJIKBPX-ZTFGCOKTSA-N 2 0 364.917 3.339 20 0 FGADRP COC(=O)[C@@H]1C[C@H]1[C@@H](C)[NH2+]CC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000594925353 507317561 /nfs/dbraw/zinc/31/75/61/507317561.db2.gz RXVJUXYRJIKBPX-FHLIZLRMSA-N 2 0 364.917 3.339 20 0 FGADRP COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000594942417 507324401 /nfs/dbraw/zinc/32/44/01/507324401.db2.gz IBUAVTMHCWFNFX-KVDGJZSYSA-N 2 0 356.510 3.074 20 0 FGADRP C[C@@H](C[NH2+]Cc1ccc(N(C)c2ccccc2)cc1)CN1CC[NH+](C)CC1 ZINC000591700502 507334560 /nfs/dbraw/zinc/33/45/60/507334560.db2.gz FESQRMOMRRDADS-FQEVSTJZSA-N 2 0 366.553 3.428 20 0 FGADRP C[C@H](CCNC(=O)Nc1cccc2c1CC[NH2+]C2)[N@H+](C)Cc1ccccc1 ZINC000584579040 507422231 /nfs/dbraw/zinc/42/22/31/507422231.db2.gz HSDQQYNDGKBFGE-QGZVFWFLSA-N 2 0 366.509 3.364 20 0 FGADRP C[C@@H](CCNC(=O)Nc1cccc2c1CC[NH2+]C2)[N@H+](C)Cc1ccccc1 ZINC000584579039 507422970 /nfs/dbraw/zinc/42/29/70/507422970.db2.gz HSDQQYNDGKBFGE-KRWDZBQOSA-N 2 0 366.509 3.364 20 0 FGADRP O=C(NC1CC([NH+]2CCCCC2)C1)[C@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000614281565 507440018 /nfs/dbraw/zinc/44/00/18/507440018.db2.gz LSBLYMIZNIDWKN-HWELCPFYSA-N 2 0 369.553 3.074 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)N[C@@H](C)C1CC[NH+](C)CC1)c1ccsc1 ZINC000606638008 507461156 /nfs/dbraw/zinc/46/11/56/507461156.db2.gz NXZIOZVSGXVJSL-YJBOKZPZSA-N 2 0 366.575 3.161 20 0 FGADRP CC[NH+](CC)C[C@H](C)NC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000606659593 507471801 /nfs/dbraw/zinc/47/18/01/507471801.db2.gz OOTBDALOIJVJOW-IRFCIJBXSA-N 2 0 374.573 3.411 20 0 FGADRP CN(CCC[N@H+](C)Cc1cc(-c2ccc(Cl)cc2)no1)CC[NH+](C)C ZINC000584744071 507479979 /nfs/dbraw/zinc/47/99/79/507479979.db2.gz MRCCYMASBRXPSZ-UHFFFAOYSA-N 2 0 364.921 3.310 20 0 FGADRP C[C@@H](NC(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1)C1CC[NH+](C)CC1 ZINC000606688841 507481043 /nfs/dbraw/zinc/48/10/43/507481043.db2.gz HIKAVAQUMFMCNP-SJORKVTESA-N 2 0 360.546 3.145 20 0 FGADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)N[C@H](C)C1CC[NH+](C)CC1 ZINC000606702202 507488133 /nfs/dbraw/zinc/48/81/33/507488133.db2.gz RTSHQFOCKYYMJS-QGZVFWFLSA-N 2 0 360.546 3.010 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000592377050 507626641 /nfs/dbraw/zinc/62/66/41/507626641.db2.gz RKMASBFOVXWGDQ-MOPGFXCFSA-N 2 0 373.541 3.106 20 0 FGADRP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]C[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)C[C@H]1C ZINC000592402779 507641812 /nfs/dbraw/zinc/64/18/12/507641812.db2.gz JNLXCVYQPLAMFC-MLZLACJZSA-N 2 0 358.526 3.289 20 0 FGADRP COC(=O)c1cc2cc(C[N@@H+]3CCC[C@@H]([C@H]4CCC[NH2+]C4)C3)ccc2o1 ZINC000592491898 507678454 /nfs/dbraw/zinc/67/84/54/507678454.db2.gz PYOHSSSBLYLILH-DLBZAZTESA-N 2 0 356.466 3.431 20 0 FGADRP C[N@H+](C[C@@H](O)COc1ccc(-c2ccccc2)cc1)C[C@@H]1CCC[NH+](C)C1 ZINC000607358512 507700999 /nfs/dbraw/zinc/70/09/99/507700999.db2.gz XGDFHEZRCPZXRS-DENIHFKCSA-N 2 0 368.521 3.367 20 0 FGADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)N(CC[NH+](C)C)Cc1ccccc1 ZINC000595826147 507703238 /nfs/dbraw/zinc/70/32/38/507703238.db2.gz WWGFFUFQHFZVTM-OAQYLSRUSA-N 2 0 374.573 3.414 20 0 FGADRP CC[N@H+](Cc1ccc(C(=O)N(C)[C@H]2CC[NH+](CC)C[C@@H]2C)cc1)C1CC1 ZINC000607520482 507755988 /nfs/dbraw/zinc/75/59/88/507755988.db2.gz ORXDGHRQZMEJKR-UWJYYQICSA-N 2 0 357.542 3.473 20 0 FGADRP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000669117731 568032017 /nfs/dbraw/zinc/03/20/17/568032017.db2.gz AQTWNPGQESJZNX-PXNSSMCTSA-N 2 0 358.530 3.002 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N2CCC(C)([NH3+])CC2)cc1 ZINC000669117926 568039118 /nfs/dbraw/zinc/03/91/18/568039118.db2.gz ZMYAHALKKUMALI-QGZVFWFLSA-N 2 0 358.530 3.084 20 0 FGADRP Cc1ccc(NC(=O)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000623069093 568164644 /nfs/dbraw/zinc/16/46/44/568164644.db2.gz UZODUMFQBFPOGK-UHFFFAOYSA-N 2 0 352.482 3.110 20 0 FGADRP CC1CC[NH+](C2CCC([NH2+]Cc3ccc(-c4nn[nH]n4)cc3F)CC2)CC1 ZINC000824957311 607753540 /nfs/dbraw/zinc/75/35/40/607753540.db2.gz XBFHPEINQLHGCF-UHFFFAOYSA-N 2 0 372.492 3.139 20 0 FGADRP c1ccc(-c2ccc(C[NH2+][C@H]3CC[N@@H+]4CCC[C@H]4C3)cc2)c(-c2nn[nH]n2)c1 ZINC000826519338 608363382 /nfs/dbraw/zinc/36/33/82/608363382.db2.gz UVPCEXMIMOQBER-OALUTQOASA-N 2 0 374.492 3.250 20 0 FGADRP C[C@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)c1cccc(Br)c1 ZINC000020549224 695641883 /nfs/dbraw/zinc/64/18/83/695641883.db2.gz ZJMQPBNPKUMFQN-AWEZNQCLSA-N 2 0 354.336 3.126 20 0 FGADRP CC[NH+](CC)CCOc1ccc(C[NH2+]C2CCSCC2)cc1OC ZINC000075810647 700219248 /nfs/dbraw/zinc/21/92/48/700219248.db2.gz KKZXXPFNJWULKK-UHFFFAOYSA-N 2 0 352.544 3.401 20 0 FGADRP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]C[C@H]2CSCCS2)CC1 ZINC000092411007 700435551 /nfs/dbraw/zinc/43/55/51/700435551.db2.gz SOMQZZFOWCKOCO-AWEZNQCLSA-N 2 0 372.003 3.030 20 0 FGADRP O[C@H](COCc1ccccc1Cl)C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000151146615 704913444 /nfs/dbraw/zinc/91/34/44/704913444.db2.gz IQJKRRUHFBXQBL-OALUTQOASA-N 2 0 366.933 3.168 20 0 FGADRP C[C@H]([NH2+][C@H]1CCN(c2ccccc2Br)C1)C1CC[NH+](C)CC1 ZINC000162483737 705296947 /nfs/dbraw/zinc/29/69/47/705296947.db2.gz DFFAOUARECYXQD-HOCLYGCPSA-N 2 0 366.347 3.348 20 0 FGADRP C[C@H](CN1C[C@H](C)C[C@H](C)C1)[NH2+]C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000177248926 705614785 /nfs/dbraw/zinc/61/47/85/705614785.db2.gz CTAJFBQTJFNNSL-IXDOHACOSA-N 2 0 353.551 3.342 20 0 FGADRP C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000180825654 705759294 /nfs/dbraw/zinc/75/92/94/705759294.db2.gz LSMHSXQDDPTAKE-WBVHZDCISA-N 2 0 353.551 3.484 20 0 FGADRP CC[NH+](CC)CCN(CC(C)C)C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000193836162 713501081 /nfs/dbraw/zinc/50/10/81/713501081.db2.gz VLSIGQDAKFKWIZ-UHFFFAOYSA-N 2 0 354.583 3.259 20 0 FGADRP CCCC[N@H+](C)CC1CC[NH+](C[C@H](O)COc2ccccc2F)CC1 ZINC000193971681 713506235 /nfs/dbraw/zinc/50/62/35/713506235.db2.gz JTGJXLMFKJCDMR-SFHVURJKSA-N 2 0 352.494 3.009 20 0 FGADRP C[NH+]1CCN(C(C)(C)C[NH2+]Cc2cc(Br)ccc2Cl)CC1 ZINC000225253860 713571626 /nfs/dbraw/zinc/57/16/26/713571626.db2.gz ZBQNBHMTPKRXLY-UHFFFAOYSA-N 2 0 374.754 3.218 20 0 FGADRP CCC[N@H+](C)C[C@@H]1CC[NH+](C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000245425318 713604977 /nfs/dbraw/zinc/60/49/77/713604977.db2.gz KPHJCBUELCULDO-MSOLQXFVSA-N 2 0 353.551 3.297 20 0 FGADRP CCN(CCC[NH+](C)C)C(=O)C1CC[NH+](Cc2ccc(Cl)s2)CC1 ZINC000375023650 713961237 /nfs/dbraw/zinc/96/12/37/713961237.db2.gz MZWFLJTUZZNTMV-UHFFFAOYSA-N 2 0 371.978 3.414 20 0 FGADRP NC1(C[NH2+]Cc2scnc2C2CC2)CC[NH+](Cc2ccccc2)CC1 ZINC000415139887 714006374 /nfs/dbraw/zinc/00/63/74/714006374.db2.gz XLNBQJBVXSQERX-UHFFFAOYSA-N 2 0 356.539 3.104 20 0 FGADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)NCC[NH+]2[C@H](C)CCC[C@@H]2C)C1 ZINC000521682872 714141497 /nfs/dbraw/zinc/14/14/97/714141497.db2.gz KTALOEUSAXZOSZ-QRVBRYPASA-N 2 0 352.567 3.061 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cc2sccc2s1 ZINC000523750371 714251054 /nfs/dbraw/zinc/25/10/54/714251054.db2.gz LTMHQILIQMEENE-AWEZNQCLSA-N 2 0 365.568 3.451 20 0 FGADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]C[C@@H](O)Cc2ccccc2C(F)(F)F)C1 ZINC000572992401 714448957 /nfs/dbraw/zinc/44/89/57/714448957.db2.gz JFGRTNDOSXVUNS-RDJZCZTQSA-N 2 0 358.448 3.319 20 0 FGADRP C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)CC[C@H]1CCC[NH2+]C1 ZINC000621656730 715014474 /nfs/dbraw/zinc/01/44/74/715014474.db2.gz WAZGOLSRZOVRGH-MRXNPFEDSA-N 2 0 351.922 3.010 20 0 FGADRP Brc1ccc([C@@H]([NH2+]CC2CC[NH2+]CC2)[C@@H]2CCCO2)cc1 ZINC000643497347 718036991 /nfs/dbraw/zinc/03/69/91/718036991.db2.gz IZHUJJOKZLOBHY-DLBZAZTESA-N 2 0 353.304 3.258 20 0 FGADRP Cc1c([C@H](C)[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)nnn1-c1cccc(Cl)c1 ZINC000643548212 718038714 /nfs/dbraw/zinc/03/87/14/718038714.db2.gz TZCGFSQQOSVARI-DPAVQSFQSA-N 2 0 359.905 3.268 20 0 FGADRP Cc1nc([C@@H](C)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)c(C)s1 ZINC000643544670 718038745 /nfs/dbraw/zinc/03/87/45/718038745.db2.gz UPLIXBKVMQVEHG-OAHLLOKOSA-N 2 0 358.555 3.404 20 0 FGADRP Cc1c([C@H](C)[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)nnn1-c1cccc(Cl)c1 ZINC000643548213 718038863 /nfs/dbraw/zinc/03/88/63/718038863.db2.gz TZCGFSQQOSVARI-MKVSYHDVSA-N 2 0 359.905 3.268 20 0 FGADRP C[NH+]1CCN(CCC[NH2+][C@H]2CCCc3c4cc(Cl)ccc4[nH]c32)CC1 ZINC000623853688 715415396 /nfs/dbraw/zinc/41/53/96/715415396.db2.gz DSQJAJPJHPOARZ-IBGZPJMESA-N 2 0 360.933 3.426 20 0 FGADRP C[C@]1(C[NH+]2CCN([C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)CCCS1 ZINC000628272119 716132588 /nfs/dbraw/zinc/13/25/88/716132588.db2.gz DRXXXVFWIZSJSX-LEWJYISDSA-N 2 0 359.583 3.164 20 0 FGADRP CC[N@H+](CC(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1)C1CC1 ZINC000628969639 716193912 /nfs/dbraw/zinc/19/39/12/716193912.db2.gz WDQCCQAQEBHMJX-INIZCTEOSA-N 2 0 358.313 3.197 20 0 FGADRP Cc1cc(Br)ccc1[C@H]1CCC[N@@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000629580381 716310576 /nfs/dbraw/zinc/31/05/76/716310576.db2.gz ABYNPRIABRRJIV-NVXWUHKLSA-N 2 0 365.315 3.415 20 0 FGADRP Fc1ccc(SCC[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)c(F)c1 ZINC000629591860 716314991 /nfs/dbraw/zinc/31/49/91/716314991.db2.gz PNQFWABLYZQVPE-INIZCTEOSA-N 2 0 356.482 3.147 20 0 FGADRP C[NH+]1CCN(c2cc[nH+]c(NCc3cc4cc(Cl)cnc4o3)c2)CC1 ZINC000630961349 716538410 /nfs/dbraw/zinc/53/84/10/716538410.db2.gz OWMIULJQHIHTCM-UHFFFAOYSA-N 2 0 357.845 3.240 20 0 FGADRP FC1(F)CC[C@@H](C[NH+]2CCC(c3cc(C4CC[NH2+]CC4)[nH]n3)CC2)C1 ZINC000631830370 716687895 /nfs/dbraw/zinc/68/78/95/716687895.db2.gz QIVBKGKURFZUAT-CQSZACIVSA-N 2 0 352.473 3.492 20 0 FGADRP CN1CCC([NH+]2CCC(CC[N@H+](C)CC3CCSCC3)CC2)CC1 ZINC000638135892 717411685 /nfs/dbraw/zinc/41/16/85/717411685.db2.gz DGIWCYMCLQFQHN-UHFFFAOYSA-N 2 0 353.620 3.258 20 0 FGADRP C[C@H]1C[C@@H]([NH2+]Cc2cccc(OCC[N@H+](C)C3CCOCC3)c2)CS1 ZINC000638508981 717453351 /nfs/dbraw/zinc/45/33/51/717453351.db2.gz PUBRKCFDCCWNLM-FUHWJXTLSA-N 2 0 364.555 3.160 20 0 FGADRP COc1ccccc1SC[C@H](C)C[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000638545169 717456699 /nfs/dbraw/zinc/45/66/99/717456699.db2.gz QFSFFXYOGDXEIJ-MRXNPFEDSA-N 2 0 366.571 3.248 20 0 FGADRP Cn1c(C[N@@H+]2CCC3(C2)CC[NH+](C)CC3)nnc1-c1ccc(Cl)cc1 ZINC000639758468 717598827 /nfs/dbraw/zinc/59/88/27/717598827.db2.gz UDTDEGDQWWFCFO-UHFFFAOYSA-N 2 0 359.905 3.053 20 0 FGADRP C[NH+]1CCC2(CC[N@H+](C[C@@H](O)Cc3ccc(C(F)(F)F)cc3)C2)CC1 ZINC000639758507 717599092 /nfs/dbraw/zinc/59/90/92/717599092.db2.gz VROVJPXAIQDBIK-KRWDZBQOSA-N 2 0 356.432 3.027 20 0 FGADRP COc1cc2[nH+]ccc(N3CC[C@H]4CC[NH2+][C@H]4C3)c2cc1Br ZINC000644181095 718091184 /nfs/dbraw/zinc/09/11/84/718091184.db2.gz DSMVECOUEAHYOO-ABAIWWIYSA-N 2 0 362.271 3.194 20 0 FGADRP COc1cc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)ccc1OCC(F)(F)F ZINC000647549719 718367203 /nfs/dbraw/zinc/36/72/03/718367203.db2.gz OCBZFTPMBFLESA-QLFBSQMISA-N 2 0 358.404 3.114 20 0 FGADRP Brc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[C@@H]3C[NH2+]C[C@@H]3C1)CCO2 ZINC000647550740 718367230 /nfs/dbraw/zinc/36/72/30/718367230.db2.gz FOGYCMIHLNTJLI-FAXLKDOZSA-N 2 0 351.288 3.250 20 0 FGADRP C[C@H](C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)Oc1cccc(Br)c1 ZINC000647788566 718377742 /nfs/dbraw/zinc/37/77/42/718377742.db2.gz MCYYJYQWCREEAT-IXYNUQLISA-N 2 0 353.304 3.194 20 0 FGADRP O=C1[C@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)CCN1c1ccc(Cl)c(Cl)c1 ZINC000647794420 718377930 /nfs/dbraw/zinc/37/79/30/718377930.db2.gz ZWXIHFAGJGWPCH-SFDCBXKLSA-N 2 0 368.308 3.076 20 0 FGADRP O=C1[C@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)CCN1c1ccc(Cl)c(Cl)c1 ZINC000647794415 718377946 /nfs/dbraw/zinc/37/79/46/718377946.db2.gz ZWXIHFAGJGWPCH-APNQJHFZSA-N 2 0 368.308 3.076 20 0 FGADRP Clc1ccc(-c2noc(CC[N@@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]4)C3)n2)cc1 ZINC000647904235 718385621 /nfs/dbraw/zinc/38/56/21/718385621.db2.gz ZNLCQCCFVNAKDZ-WBVHZDCISA-N 2 0 360.889 3.397 20 0 FGADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)[C@H]([NH3+])c1cccc(Cl)c1 ZINC000648152363 718401591 /nfs/dbraw/zinc/40/15/91/718401591.db2.gz SQKYBVRCFPKQCE-LJQANCHMSA-N 2 0 359.901 3.450 20 0 FGADRP CCc1ccc([C@@H](CNC(=O)[C@@H]([NH3+])c2cccc(Cl)c2)[NH+](C)C)cc1 ZINC000649278729 718500682 /nfs/dbraw/zinc/50/06/82/718500682.db2.gz YOHDPNQFEZUXIZ-MOPGFXCFSA-N 2 0 359.901 3.321 20 0 FGADRP CCc1ccc([C@@H](CNC(=O)[C@H]([NH3+])c2cccc(Cl)c2)[NH+](C)C)cc1 ZINC000649278732 718500806 /nfs/dbraw/zinc/50/08/06/718500806.db2.gz YOHDPNQFEZUXIZ-RTBURBONSA-N 2 0 359.901 3.321 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)[C@H]2C[NH2+]CCC2(F)F)cc1 ZINC000649288275 718501440 /nfs/dbraw/zinc/50/14/40/718501440.db2.gz HHCCCFOEDCFUJG-RHSMWYFYSA-N 2 0 351.441 3.244 20 0 FGADRP Clc1cnc(N2CC[NH+](CCCC3CC[NH2+]CC3)CC2)c(Cl)c1 ZINC000649411560 718512355 /nfs/dbraw/zinc/51/23/55/718512355.db2.gz GGTGRFOHRCPKMR-UHFFFAOYSA-N 2 0 357.329 3.290 20 0 FGADRP COc1ccc2nc(C[N@@H+]3CCC[C@H]([C@H]4C[C@H]([NH3+])CCO4)C3)sc2c1 ZINC000650707483 718717609 /nfs/dbraw/zinc/71/76/09/718717609.db2.gz HAXHHTZNFKRYCA-JJRVBVJISA-N 2 0 361.511 3.023 20 0 FGADRP C[C@@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]CCC1CC[NH2+]CC1 ZINC000650764069 718725111 /nfs/dbraw/zinc/72/51/11/718725111.db2.gz PQLZYFHVXJUKKQ-HNNXBMFYSA-N 2 0 351.922 3.056 20 0 FGADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@H+](CCCOc3cccc(Cl)c3)C2)C1 ZINC000652348158 718934707 /nfs/dbraw/zinc/93/47/07/718934707.db2.gz WCZIDYVORULGJF-SZVBFZGTSA-N 2 0 352.906 3.327 20 0 FGADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@H+](Cc3cc(F)cc(Br)c3)C2)C1 ZINC000652348702 718935200 /nfs/dbraw/zinc/93/52/00/718935200.db2.gz NXCDHTVYXOISMI-IAOVAPTHSA-N 2 0 371.294 3.307 20 0 FGADRP [NH3+]C[C@@H]1CCCCN1C(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000652613397 718966074 /nfs/dbraw/zinc/96/60/74/718966074.db2.gz SVPGQBZJVNXFEU-KRWDZBQOSA-N 2 0 362.543 3.220 20 0 FGADRP CC1(C)[NH2+]CC[C@H]1NC(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000652613914 718966321 /nfs/dbraw/zinc/96/63/21/718966321.db2.gz HCVPKMWYHNBFKW-QGZVFWFLSA-N 2 0 362.543 3.137 20 0 FGADRP CC1(C)[NH2+]CC[C@@H]1NC(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000652613913 718966365 /nfs/dbraw/zinc/96/63/65/718966365.db2.gz HCVPKMWYHNBFKW-KRWDZBQOSA-N 2 0 362.543 3.137 20 0 FGADRP CCOc1cc(C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)ccc1OCC(F)(F)F ZINC000655826552 719344906 /nfs/dbraw/zinc/34/49/06/719344906.db2.gz IMBQSGFKYKUPOJ-GASCZTMLSA-N 2 0 360.420 3.456 20 0 FGADRP C[C@@H](Cc1ccccn1)[NH2+]Cc1c(Cl)cccc1N1CC[NH+](C)CC1 ZINC000655844190 719346172 /nfs/dbraw/zinc/34/61/72/719346172.db2.gz PLWKMLBMWURSOS-INIZCTEOSA-N 2 0 358.917 3.208 20 0 FGADRP Cc1ncsc1-c1ccc(C[NH2+]CC(C)(C)N2CC[NH+](C)CC2)cc1 ZINC000657305108 719622739 /nfs/dbraw/zinc/62/27/39/719622739.db2.gz WGJMKSRNLPHKPS-UHFFFAOYSA-N 2 0 358.555 3.234 20 0 FGADRP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@@H](C)c1nc2ccc(Cl)cc2n1C ZINC000658107149 719757601 /nfs/dbraw/zinc/75/76/01/719757601.db2.gz KSYBPUWWPNOQAZ-GJZGRUSLSA-N 2 0 365.953 3.149 20 0 FGADRP CCc1nc(C)c([C@H](C)[NH2+]Cc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)s1 ZINC000658137534 719762131 /nfs/dbraw/zinc/76/21/31/719762131.db2.gz HJKQZSIHDOJUKT-KBXCAEBGSA-N 2 0 359.539 3.431 20 0 FGADRP Cc1nc2c(s1)[C@@H]([NH2+]Cc1ccc(C[N@@H+]3CC[C@@H](O)C3)cc1)CCC2 ZINC000658143675 719762560 /nfs/dbraw/zinc/76/25/60/719762560.db2.gz ZTFCLLVROFUOGQ-MSOLQXFVSA-N 2 0 357.523 3.185 20 0 FGADRP COc1cccc(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)c1Cl ZINC000659861399 719946680 /nfs/dbraw/zinc/94/66/80/719946680.db2.gz UTKQDTNMFHHNLA-UHFFFAOYSA-N 2 0 352.906 3.283 20 0 FGADRP CC(C)[N@@H+](Cc1cc(Br)ccc1F)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662250219 720405551 /nfs/dbraw/zinc/40/55/51/720405551.db2.gz AZCSDZQXIIYZLG-HNNXBMFYSA-N 2 0 371.294 3.320 20 0 FGADRP Cc1ncsc1CC[NH+]1CCC(c2cc(C3CC[NH2+]CC3)[nH]n2)CC1 ZINC000662327758 720415763 /nfs/dbraw/zinc/41/57/63/720415763.db2.gz URBKKCPYILUADC-UHFFFAOYSA-N 2 0 359.543 3.064 20 0 FGADRP C[NH+](C)C[C@@H](NC(=O)c1cccc2c1CC[NH2+]C2)c1ccc(Cl)cc1 ZINC000662792121 720458267 /nfs/dbraw/zinc/45/82/67/720458267.db2.gz OXEUYPQIDVEBJU-LJQANCHMSA-N 2 0 357.885 3.018 20 0 FGADRP C[N@H+](Cc1ccc(N([C@H]2COC3(C2)CC[NH2+]CC3)C(C)(C)C)nc1)C1CC1 ZINC001164733990 720546685 /nfs/dbraw/zinc/54/66/85/720546685.db2.gz FKXVKFYSHZPOND-LJQANCHMSA-N 2 0 372.557 3.192 20 0 FGADRP CCC[N@H+](C)CC(C)(C)NC(=O)N[C@@H](C)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000664627181 720667964 /nfs/dbraw/zinc/66/79/64/720667964.db2.gz USOBDLMDXVLSQW-IRXDYDNUSA-N 2 0 352.567 3.059 20 0 FGADRP CCC[N@@H+]1CC[C@H](NC(=O)N(CC[NH+](CC)CC)Cc2cccs2)C1 ZINC000666928958 721001260 /nfs/dbraw/zinc/00/12/60/721001260.db2.gz XZAVFFXZVSHWHW-KRWDZBQOSA-N 2 0 366.575 3.086 20 0 FGADRP Cc1cccc(N(c2cc(C[NH+](C)C)ccn2)[C@H]2CO[C@]3(CC[NH2+]C3)C2)c1 ZINC001164777827 721329479 /nfs/dbraw/zinc/32/94/79/721329479.db2.gz RHKQDOHFUYIZJM-IFMALSPDSA-N 2 0 366.509 3.111 20 0 FGADRP OC[C@H](C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)Cc1ccc(C(F)(F)F)cc1 ZINC000678600167 721966670 /nfs/dbraw/zinc/96/66/70/721966670.db2.gz JMUJUELSLKRDHJ-RYQLBKOJSA-N 2 0 356.432 3.073 20 0 FGADRP OC[C@H](C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)Cc1ccccc1C(F)(F)F ZINC000678600347 721966774 /nfs/dbraw/zinc/96/67/74/721966774.db2.gz MAKCRCIGWQHKJQ-UAGQMJEPSA-N 2 0 356.432 3.073 20 0 FGADRP C[C@H]([NH2+][C@@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)c(F)c1)C1CC[NH+](C)CC1 ZINC000678607179 721967233 /nfs/dbraw/zinc/96/72/33/721967233.db2.gz NNZIEGRCUHVXNF-WILYLXEWSA-N 2 0 367.896 3.071 20 0 FGADRP FC(F)O[C@H]1CCC[NH+](CCCC[N@H+]2CCC[C@H](OC(F)F)C2)C1 ZINC000679680166 722040275 /nfs/dbraw/zinc/04/02/75/722040275.db2.gz XIRWAXYIEOAIAV-KBPBESRZSA-N 2 0 356.404 3.174 20 0 FGADRP C[NH+](C)[C@@H]1CCC[C@H]([NH2+][C@H]2C[C@H]3C[C@@H](C2)N(C(=O)OC(C)(C)C)C3)C1 ZINC000715543008 722415884 /nfs/dbraw/zinc/41/58/84/722415884.db2.gz NGJWOAVOGSURBM-TXTZMMAHSA-N 2 0 351.535 3.237 20 0 FGADRP O=C(CCCC[NH+]1CCCC1)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000729352127 722459053 /nfs/dbraw/zinc/45/90/53/722459053.db2.gz KKQYGDGTOPPFMX-SFHVURJKSA-N 2 0 363.571 3.342 20 0 FGADRP C[N@@H+]1CCC[C@@H](N2CC[NH+](Cn3ccc(=S)c4ccccc43)CC2)C1 ZINC000738210635 722529137 /nfs/dbraw/zinc/52/91/37/722529137.db2.gz CZBRMGNGWXGILK-QGZVFWFLSA-N 2 0 356.539 3.040 20 0 FGADRP C[C@@H](CNC(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)C)[NH+]1CCCCC1 ZINC000746758398 722617525 /nfs/dbraw/zinc/61/75/25/722617525.db2.gz VUOIKGXFOQTAOX-MAUKXSAKSA-N 2 0 366.937 3.116 20 0 FGADRP C/C(=C\c1ccc(Cl)cc1)C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000759088431 722999273 /nfs/dbraw/zinc/99/92/73/722999273.db2.gz DGRPWCWMPXPQJE-WUKNDPDISA-N 2 0 365.949 3.475 20 0 FGADRP CC(C)(C)OC(=O)N1CCC[C@@H]([NH2+]C2CC([NH+]3CCCCC3)C2)CC1 ZINC000793336241 723426183 /nfs/dbraw/zinc/42/61/83/723426183.db2.gz MLPNULLRQBQFCU-WWDZGPRUSA-N 2 0 351.535 3.383 20 0 FGADRP CC[N@@H+]1CCC[C@H](C[NH2+]C2CCC(CNC(=O)OC(C)(C)C)CC2)C1 ZINC000796279695 723629841 /nfs/dbraw/zinc/62/98/41/723629841.db2.gz DLCSNYPMIKGWJD-LXPRWKDFSA-N 2 0 353.551 3.391 20 0 FGADRP C[N@H+](C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000796454717 723638567 /nfs/dbraw/zinc/63/85/67/723638567.db2.gz QZHHMFAAORYICJ-XNHLSEOASA-N 2 0 351.535 3.191 20 0 FGADRP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)[C@@H]2CCC[C@H]21 ZINC000796737381 723652697 /nfs/dbraw/zinc/65/26/97/723652697.db2.gz AGVOYMRSRZFUBY-XLAORIBOSA-N 2 0 351.535 3.096 20 0 FGADRP COc1ccc([C@@H](C)[NH2+]CC2([S@](C)=O)CC2)cc1C[NH+]1CCCCC1 ZINC000799727407 724088627 /nfs/dbraw/zinc/08/86/27/724088627.db2.gz JIWKXTPNFUSOSK-CPJLOUKISA-N 2 0 364.555 3.243 20 0 FGADRP C[N@H+](CCC[NH+]1CCCC1)CC[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000801953215 724350042 /nfs/dbraw/zinc/35/00/42/724350042.db2.gz LEAFUYMAUGKLKN-GOSISDBHSA-N 2 0 353.551 3.441 20 0 FGADRP C[C@@H]1C[C@@H](C)C[NH+](CCCC[NH2+]Cc2cc(Br)nn2C)C1 ZINC000785417989 724911335 /nfs/dbraw/zinc/91/13/35/724911335.db2.gz LYSZACHECYFATI-ZIAGYGMSSA-N 2 0 357.340 3.030 20 0 FGADRP CC(C)C[NH+]1CCC([NH2+]C2CC3(C2)CN(C(=O)OC(C)(C)C)C3)CC1 ZINC000788505338 725068820 /nfs/dbraw/zinc/06/88/20/725068820.db2.gz GFMAQHCGTZJXLN-UHFFFAOYSA-N 2 0 351.535 3.096 20 0 FGADRP C[C@H](C[NH2+]C1CC2(C1)CN(C(=O)OC(C)(C)C)C2)N1CCC(C)CC1 ZINC000788570267 725073297 /nfs/dbraw/zinc/07/32/97/725073297.db2.gz JBOJYBQHFYEXCW-MRXNPFEDSA-N 2 0 351.535 3.096 20 0 FGADRP C[NH+]1CCC([C@@H]2CC[N@H+](C[C@@H]3CCCN3C(=O)OC(C)(C)C)C2)CC1 ZINC000809757352 725265718 /nfs/dbraw/zinc/26/57/18/725265718.db2.gz ZCCSFOGRURMCFP-MSOLQXFVSA-N 2 0 351.535 3.050 20 0 FGADRP C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC000810165005 725294019 /nfs/dbraw/zinc/29/40/19/725294019.db2.gz JKVSFTYPRGUIND-AXVVYFOYSA-N 2 0 353.526 3.063 20 0 FGADRP CSC1(C[NH2+]Cc2ccc3c(c2)COC(C)(C)O3)CC[NH+](C)CC1 ZINC000811513614 725371486 /nfs/dbraw/zinc/37/14/86/725371486.db2.gz LKEPOLWLQPMEOT-UHFFFAOYSA-N 2 0 350.528 3.249 20 0 FGADRP C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1[NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000812720390 726806626 /nfs/dbraw/zinc/80/66/26/726806626.db2.gz FAOIPAFPKQAFIT-XDNAFOTISA-N 2 0 353.551 3.484 20 0 FGADRP CC[C@H](C)C[NH2+]C1CCC([NH+]2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000812802275 726813460 /nfs/dbraw/zinc/81/34/60/726813460.db2.gz GBAGHSLCAJCASN-AOCRQIFASA-N 2 0 353.551 3.486 20 0 FGADRP C[NH+](C)CCOc1cccc(C[NH2+]C[C@H](O)c2ccc(Cl)c(F)c2)c1 ZINC000819010251 727337849 /nfs/dbraw/zinc/33/78/49/727337849.db2.gz ACPGHZUMDUCNEK-IBGZPJMESA-N 2 0 366.864 3.243 20 0 FGADRP C[C@H](C[NH2+]C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1)C[NH+]1CCCC1 ZINC000823671424 729297736 /nfs/dbraw/zinc/29/77/36/729297736.db2.gz OFTAQWJXMFOEQR-KZNAEPCWSA-N 2 0 353.551 3.344 20 0 FGADRP CCC[NH+]1CCN(c2ccc(NC(=O)CC3([NH3+])CCC3)cc2Cl)CC1 ZINC000827618523 729432459 /nfs/dbraw/zinc/43/24/59/729432459.db2.gz RGBMYEGTDUOQQG-UHFFFAOYSA-N 2 0 364.921 3.082 20 0 FGADRP C[C@H]([NH2+]C1CC[NH+](C2CCC2)CC1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000834545312 729812281 /nfs/dbraw/zinc/81/22/81/729812281.db2.gz YBSUPRZDDNIHDK-MAUKXSAKSA-N 2 0 351.535 3.381 20 0 FGADRP CN(C(=O)CCCC[NH+]1CCCC1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000837183953 730003098 /nfs/dbraw/zinc/00/30/98/730003098.db2.gz ACQMCIXJYGIBFV-UHFFFAOYSA-N 2 0 363.468 3.128 20 0 FGADRP C[C@@H]([NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1)c1cccnc1Cl ZINC000840884002 730187906 /nfs/dbraw/zinc/18/79/06/730187906.db2.gz ISBUPXXFJYSYFK-MRXNPFEDSA-N 2 0 359.901 3.413 20 0 FGADRP Cc1cc([C@H]([NH3+])CC(=O)N[C@H](CCC[NH3+])c2ccccc2)cc(Cl)n1 ZINC000841856001 730281345 /nfs/dbraw/zinc/28/13/45/730281345.db2.gz KUXQSXJAQHMCFJ-IAGOWNOFSA-N 2 0 360.889 3.030 20 0 FGADRP CC(C)n1ncc2cc(C[NH+]3CCC([C@H]4CC[NH2+]C4)CC3)c(Cl)nc21 ZINC000843127074 730588894 /nfs/dbraw/zinc/58/88/94/730588894.db2.gz OIJIMINLZVAEGD-HNNXBMFYSA-N 2 0 361.921 3.487 20 0 FGADRP Cc1nn(C)c2nc(Cl)c(C[N@@H+]3CCC[C@@H]([C@H]4CCC[NH2+]C4)C3)cc12 ZINC000843128894 730589262 /nfs/dbraw/zinc/58/92/62/730589262.db2.gz YOSXAXPFCDUIMQ-LSDHHAIUSA-N 2 0 361.921 3.142 20 0 FGADRP Cc1nn(C)c2nc(Cl)c(C[N@@H+]3CCC[C@H]([C@@H]4CCC[NH2+]C4)C3)cc12 ZINC000843128891 730589423 /nfs/dbraw/zinc/58/94/23/730589423.db2.gz YOSXAXPFCDUIMQ-CABCVRRESA-N 2 0 361.921 3.142 20 0 FGADRP O=C(C[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)Nc1ccccc1SC(F)F ZINC000843388446 730612497 /nfs/dbraw/zinc/61/24/97/730612497.db2.gz NUQFUMDWGKLYCL-ZIAGYGMSSA-N 2 0 369.481 3.261 20 0 FGADRP C[C@@H]1C[C@@H]([NH2+]C2CCC(C[NH+](C)C)CC2)CN(C(=O)OC(C)(C)C)C1 ZINC000843401398 730615337 /nfs/dbraw/zinc/61/53/37/730615337.db2.gz KBKPWEBYUIRNME-AQEOSJORSA-N 2 0 353.551 3.342 20 0 FGADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+]C2CC(CCNC(=O)OC(C)(C)C)C2)C1 ZINC000845934735 730910567 /nfs/dbraw/zinc/91/05/67/730910567.db2.gz DJTNNDMSDKXMGF-LXPRWKDFSA-N 2 0 353.551 3.390 20 0 FGADRP [NH3+]CCCCCC[NH+]1CCN(C(=O)c2cccc(Cl)c2Cl)CC1 ZINC000846217797 730937308 /nfs/dbraw/zinc/93/73/08/730937308.db2.gz BYRHDDXRWBDNIA-UHFFFAOYSA-N 2 0 358.313 3.270 20 0 FGADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CC2CCC1(CNC(=O)OC(C)(C)C)CC2 ZINC000846903860 730993665 /nfs/dbraw/zinc/99/36/65/730993665.db2.gz ZSPRUUOEIAGFFI-GNZRSQJKSA-N 2 0 351.535 3.240 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCCOc1ccc(Cl)cc1Cl ZINC000849064860 731225316 /nfs/dbraw/zinc/22/53/16/731225316.db2.gz FRTFWAJPFVWVSR-CQSZACIVSA-N 2 0 373.328 3.361 20 0 FGADRP C[C@H](NC(=[NH2+])NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccc(Cl)cc1Cl ZINC000849074204 731226131 /nfs/dbraw/zinc/22/61/31/731226131.db2.gz GIPOAACIHYYRKW-UBHSHLNASA-N 2 0 371.312 3.032 20 0 FGADRP C[C@@H](CNC(=[NH2+])NCc1cccc(C(F)(F)F)c1)[N@@H+]1CCC[C@H](C)C1 ZINC000849091045 731228059 /nfs/dbraw/zinc/22/80/59/731228059.db2.gz DTIFGYUBYMSLCT-KBPBESRZSA-N 2 0 356.436 3.440 20 0 FGADRP [NH2+]=C(NCc1cccc(C(F)(F)F)c1)NC1CC([NH+]2CCCCC2)C1 ZINC000849094913 731228561 /nfs/dbraw/zinc/22/85/61/731228561.db2.gz UGLDKUKSGUBSRS-UHFFFAOYSA-N 2 0 354.420 3.336 20 0 FGADRP [NH2+]=C(NCCC1CC(F)(F)C1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000849116296 731230930 /nfs/dbraw/zinc/23/09/30/731230930.db2.gz NUSIELVDKNIYQC-UHFFFAOYSA-N 2 0 350.457 3.200 20 0 FGADRP CC(C)(C)OC(=O)N1CCC[C@H]([NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)C1 ZINC000853084551 731662094 /nfs/dbraw/zinc/66/20/94/731662094.db2.gz QWXWFSAGZUIWDP-MSOLQXFVSA-N 2 0 351.535 3.098 20 0 FGADRP C[C@@H](CC(=O)Nc1cccnc1Cl)[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000853239512 731686300 /nfs/dbraw/zinc/68/63/00/731686300.db2.gz GYOUEAAGZMEELL-GOEBONIOSA-N 2 0 364.921 3.164 20 0 FGADRP CC(C)[N@H+](C)Cc1cc(O[C@H]2CC[NH+](CC3CC(F)(F)C3)C2)ccn1 ZINC000856604714 732040940 /nfs/dbraw/zinc/04/09/40/732040940.db2.gz PZYLKWPWHOSYEN-SFHVURJKSA-N 2 0 353.457 3.420 20 0 FGADRP C[C@@H]1C[C@@H](C)C[NH+](CCCC[NH2+]Cc2cn(C)nc2Br)C1 ZINC000858099444 732180641 /nfs/dbraw/zinc/18/06/41/732180641.db2.gz NGCAXBCVJVZFHG-ZIAGYGMSSA-N 2 0 357.340 3.030 20 0 FGADRP C[N@H+](CCCC[NH2+]C[C@H]1CC(F)(F)CN1C(=O)OC(C)(C)C)C1CC1 ZINC000862388972 732822200 /nfs/dbraw/zinc/82/22/00/732822200.db2.gz MZQGXRVIVJLIAG-OAHLLOKOSA-N 2 0 361.477 3.095 20 0 FGADRP COc1ccc(C[NH2+]CCC2CC[NH+](C(C)C)CC2)c(OC)c1OC ZINC000865714907 733257971 /nfs/dbraw/zinc/25/79/71/733257971.db2.gz GBXMYCWPAWZXSB-UHFFFAOYSA-N 2 0 350.503 3.313 20 0 FGADRP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)c1cc2c(ccnc2Cl)o1 ZINC000866261988 733330235 /nfs/dbraw/zinc/33/02/35/733330235.db2.gz CUOYZMBRLATSSJ-ZIAGYGMSSA-N 2 0 351.878 3.369 20 0 FGADRP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)c1cc2c(ccnc2Cl)o1 ZINC000866261983 733330396 /nfs/dbraw/zinc/33/03/96/733330396.db2.gz CUOYZMBRLATSSJ-KBPBESRZSA-N 2 0 351.878 3.369 20 0 FGADRP COc1ccc([C@H](C)[NH2+]CC[C@H](O)C(F)F)cc1C[NH+]1CCCCC1 ZINC000866442217 733350365 /nfs/dbraw/zinc/35/03/65/733350365.db2.gz HCTWTUJHXLAWIV-YOEHRIQHSA-N 2 0 356.457 3.348 20 0 FGADRP CC(C)[NH+]1CCC(CC[NH2+][C@H](C)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC000866468073 733354058 /nfs/dbraw/zinc/35/40/58/733354058.db2.gz ZWPCNFZDIOPDSV-MRXNPFEDSA-N 2 0 352.544 3.251 20 0 FGADRP C[C@H](c1ccc(C(F)(F)F)cc1)[NH+]1CCC(N2CC[NH+](C)CC2)CC1 ZINC000866589317 733370815 /nfs/dbraw/zinc/37/08/15/733370815.db2.gz FYRAGGKLDKTISF-OAHLLOKOSA-N 2 0 355.448 3.478 20 0 FGADRP CCOC(=O)c1sc(C2CC[NH+](CCCCCC[NH3+])CC2)nc1C ZINC000866714931 733387516 /nfs/dbraw/zinc/38/75/16/733387516.db2.gz CMDPJNIHEPUKCM-UHFFFAOYSA-N 2 0 353.532 3.327 20 0 FGADRP Cc1cc([C@@H]([NH3+])CC(=O)N2c3ccccc3[C@@H]([NH3+])C2(C)C)cc(Cl)n1 ZINC000867988502 733542922 /nfs/dbraw/zinc/54/29/22/733542922.db2.gz NEKWLPUYYJOPHS-KBXCAEBGSA-N 2 0 358.873 3.259 20 0 FGADRP C[N@@H+]1CC[C@H]([NH2+][C@@H]2C[C@H]3C[C@@H](C2)N(C(=O)OC(C)(C)C)C3)CC1(C)C ZINC000872128897 735593461 /nfs/dbraw/zinc/59/34/61/735593461.db2.gz NIOJONYLTAOMGQ-NXOAAHMSSA-N 2 0 351.535 3.237 20 0 FGADRP CCc1cccc(Cl)c1C[NH2+]Cc1cccc(-n2cc(C[NH3+])nn2)c1 ZINC000873215446 735739231 /nfs/dbraw/zinc/73/92/31/735739231.db2.gz ALHFAXWPVIYJLY-UHFFFAOYSA-N 2 0 355.873 3.232 20 0 FGADRP C[C@@H](CC(=O)Nc1cccnc1Cl)[NH2+]CC[C@H]([NH3+])Cc1ccccc1 ZINC000873235932 735741885 /nfs/dbraw/zinc/74/18/85/735741885.db2.gz UYAZAKZNZFXHAI-HOCLYGCPSA-N 2 0 360.889 3.002 20 0 FGADRP CCOC(=O)C1([C@@H](C)[NH2+]Cc2ccc(C(F)(F)F)s2)CC[NH2+]CC1 ZINC000873280837 735745978 /nfs/dbraw/zinc/74/59/78/735745978.db2.gz CSGMCUXNAQPMCR-LLVKDONJSA-N 2 0 364.433 3.178 20 0 FGADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)NCCC2CC[NH+](C(C)C)CC2)C[C@H]1C ZINC000876029285 736050178 /nfs/dbraw/zinc/05/01/78/736050178.db2.gz BZZBULRDEVTYGK-IEBWSBKVSA-N 2 0 352.567 3.011 20 0 FGADRP CC[NH2+]Cc1cccc(NC(=O)c2sc(C3CC[NH2+]CC3)nc2C)c1 ZINC000876508989 736108844 /nfs/dbraw/zinc/10/88/44/736108844.db2.gz DKOOIUOFGMZXIL-UHFFFAOYSA-N 2 0 358.511 3.280 20 0 FGADRP C[NH+](C)CC1CC[NH+](C[C@H](CC(F)(F)F)NC(=O)OC(C)(C)C)CC1 ZINC000876577575 736116030 /nfs/dbraw/zinc/11/60/30/736116030.db2.gz FBJRNKHJYZWESE-AWEZNQCLSA-N 2 0 367.456 3.106 20 0 FGADRP COC(=O)c1ccc(C[N@H+](C)CC2CC[NH+](C)CC2)cc1Br ZINC000876690646 736132002 /nfs/dbraw/zinc/13/20/02/736132002.db2.gz OQEQHYGQJXKGSA-UHFFFAOYSA-N 2 0 369.303 3.009 20 0 FGADRP C([C@@H]1CCC2(CCOCC2)O1)[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000877959602 736750352 /nfs/dbraw/zinc/75/03/52/736750352.db2.gz OJOIMAVYWOCXGC-FQEVSTJZSA-N 2 0 350.547 3.303 20 0 FGADRP C([C@@H]1CC2(CO1)CCOCC2)[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000878048584 736763139 /nfs/dbraw/zinc/76/31/39/736763139.db2.gz COKASMNBERZUFO-PMACEKPBSA-N 2 0 350.547 3.160 20 0 FGADRP C[N@@H+]1CC[C@@H]2C[NH+](CC[C@H]3CCCN(C(=O)OC(C)(C)C)C3)CC[C@@H]21 ZINC000879582511 737010648 /nfs/dbraw/zinc/01/06/48/737010648.db2.gz SEHYKCSAFYKIID-KURKYZTESA-N 2 0 351.535 3.050 20 0 FGADRP CCC1(NC(=O)OC(C)(C)C)CC[NH+]([C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000883279927 737545704 /nfs/dbraw/zinc/54/57/04/737545704.db2.gz LDKPUUCITLOQFB-DLBZAZTESA-N 2 0 351.535 3.383 20 0 FGADRP CC[C@H]([NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2)[C@@H](O)C(F)(F)F ZINC000886558493 739267212 /nfs/dbraw/zinc/26/72/12/739267212.db2.gz LSLXKAPROGDECX-KFGODFMUSA-N 2 0 356.432 3.331 20 0 FGADRP F[C@@H]1CC2(CC[C@H]1[NH+]1CCC(C[NH+]3CCCCCC3)CC1)OCCO2 ZINC000891611737 739920665 /nfs/dbraw/zinc/92/06/65/739920665.db2.gz VDRFWAVRAUVFCU-RTBURBONSA-N 2 0 354.510 3.208 20 0 FGADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C[C@H]1C(F)(F)F ZINC000892606869 740022712 /nfs/dbraw/zinc/02/27/12/740022712.db2.gz FTWJKJWMZKLGKC-UYJHQMFVSA-N 2 0 362.436 3.113 20 0 FGADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CC[C@@H](C(=O)OCC)[C@@H](C(F)(F)F)C2)C1 ZINC000892668047 740029270 /nfs/dbraw/zinc/02/92/70/740029270.db2.gz HFTBRSACZNTBAL-FPCVCCKLSA-N 2 0 364.452 3.218 20 0 FGADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]CC2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)C1 ZINC000895187690 742385324 /nfs/dbraw/zinc/38/53/24/742385324.db2.gz LVVHCYZXFQAGAZ-NHGGUHBCSA-N 2 0 351.535 3.094 20 0 FGADRP CC(C)(C)OC(=O)N[C@H]1C[C@@H](C[NH2+]CC2CC[NH+](CC3CC3)CC2)C1 ZINC000895472294 742416554 /nfs/dbraw/zinc/41/65/54/742416554.db2.gz GTXYDEBVHQKPFD-HDICACEKSA-N 2 0 351.535 3.001 20 0 FGADRP C[N@@H+]1CC[C@@H]2C[NH+](C[C@@]3(C)CCCN(C(=O)OC(C)(C)C)C3)CC[C@H]21 ZINC000895845268 742462160 /nfs/dbraw/zinc/46/21/60/742462160.db2.gz URYLMNHTCJDUNH-MBOZVWFJSA-N 2 0 351.535 3.050 20 0 FGADRP O=C(NCC1CC[NH+](Cc2cccs2)CC1)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC000900435550 743112429 /nfs/dbraw/zinc/11/24/29/743112429.db2.gz PKNBIYCNCFPYPY-PKOBYXMFSA-N 2 0 361.555 3.093 20 0 FGADRP C[C@@H]([NH2+]CCOC1CCSCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000903443333 743851876 /nfs/dbraw/zinc/85/18/76/743851876.db2.gz GHMJSFUGLOCLDE-MRXNPFEDSA-N 2 0 352.544 3.190 20 0 FGADRP CC(C)(C[NH3+])C1CC[NH+](Cc2nc(-c3ccc(F)c(F)c3)no2)CC1 ZINC000903791544 743884454 /nfs/dbraw/zinc/88/44/54/743884454.db2.gz YWBBETLGEALDGM-UHFFFAOYSA-N 2 0 350.413 3.212 20 0 FGADRP FC(F)(F)c1ccc(CCC[N@@H+]2CC[NH2+]CCC23CCOCC3)cc1 ZINC000903817670 743886156 /nfs/dbraw/zinc/88/61/56/743886156.db2.gz CVTXOTDOKFVIAZ-UHFFFAOYSA-N 2 0 356.432 3.483 20 0 FGADRP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](CCCCOc1ccc(Br)cc1)C2 ZINC000903840964 743887609 /nfs/dbraw/zinc/88/76/09/743887609.db2.gz VGQULRPRQCLXQX-IMJJTQAJSA-N 2 0 353.304 3.420 20 0 FGADRP Cc1nc(C(C)C)sc1[C@@H](C)[N@H+](C)C[C@@H](C[NH3+])Cc1cnn(C)c1C ZINC000903897753 743893947 /nfs/dbraw/zinc/89/39/47/743893947.db2.gz JKOOSYAKHUZIDN-HZPDHXFCSA-N 2 0 363.575 3.427 20 0 FGADRP CC(C)([NH3+])CC[NH2+]C1CCN(Cc2ccccc2Br)CC1 ZINC000903939994 743901083 /nfs/dbraw/zinc/90/10/83/743901083.db2.gz SLFPPINEKHAFMH-UHFFFAOYSA-N 2 0 354.336 3.131 20 0 FGADRP Cc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@@H]2C[NH2+]CCC2(F)F)c(Cl)c1 ZINC000903955711 743904605 /nfs/dbraw/zinc/90/46/05/743904605.db2.gz AMZRRGUTLLWIOY-STQMWFEESA-N 2 0 359.848 3.200 20 0 FGADRP C[C@@]1(C[NH+]2CCC(C(=O)Nc3cc(Cl)ccc3O)CC2)CCC[NH2+]C1 ZINC000904345925 743948255 /nfs/dbraw/zinc/94/82/55/743948255.db2.gz MDXQDDHNSBMCEK-LJQANCHMSA-N 2 0 365.905 3.086 20 0 FGADRP Brc1cncc(C[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000904475106 743957530 /nfs/dbraw/zinc/95/75/30/743957530.db2.gz YHRORUMLGGHNIF-FUHWJXTLSA-N 2 0 374.282 3.190 20 0 FGADRP CSc1ccc([C@@H](CNC(=O)Nc2ccccc2C[NH3+])[NH+](C)C)cc1 ZINC000904634209 743965731 /nfs/dbraw/zinc/96/57/31/743965731.db2.gz PCOHISSCPSYBBO-GOSISDBHSA-N 2 0 358.511 3.292 20 0 FGADRP CC1([NH+]2CCCC2)CCC([NH2+]C[C@H](O)COCc2cccs2)CC1 ZINC000905534458 744030799 /nfs/dbraw/zinc/03/07/99/744030799.db2.gz QNPSCXPRZLIVFU-HFCFLWKCSA-N 2 0 352.544 3.012 20 0 FGADRP C[NH+](C)[C@@H](CNC(=O)NC1CCC(C)([NH+]2CCC2)CC1)c1cccs1 ZINC000913874249 757617156 /nfs/dbraw/zinc/61/71/56/757617156.db2.gz DTGWUNXQVWXWIY-WUJZJPHMSA-N 2 0 364.559 3.057 20 0 FGADRP Cc1cnc(Cl)c(C[NH2+]CC2(N3CCCCC3)CC[NH+](C)CC2)c1 ZINC000921792007 758795648 /nfs/dbraw/zinc/79/56/48/758795648.db2.gz QNLCKBBNLMBRHF-UHFFFAOYSA-N 2 0 350.938 3.083 20 0 FGADRP C[NH+](C)CC1CCC([NH2+][C@H]2CC[C@@H](CNC(=O)OC(C)(C)C)C2)CC1 ZINC000921920031 758819613 /nfs/dbraw/zinc/81/96/13/758819613.db2.gz DMTOEJINNZRXQY-FPQWYMTMSA-N 2 0 353.551 3.390 20 0 FGADRP CC(C)[C@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1cnc(C(C)(C)C)s1)C2 ZINC000922388533 758910271 /nfs/dbraw/zinc/91/02/71/758910271.db2.gz QUNZSDBPCSPEPW-YKTARERQSA-N 2 0 351.560 3.010 20 0 FGADRP CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3ccc(F)c(F)c3F)C2)[C@@H]1C(C)C ZINC000922391870 758912587 /nfs/dbraw/zinc/91/25/87/758912587.db2.gz BOMASFBTLDUQTG-LTDCPUDJSA-N 2 0 356.432 3.063 20 0 FGADRP CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]Cc3cc(F)c(F)cc3F)C2)[C@@H]1C(C)C ZINC000922393589 758912633 /nfs/dbraw/zinc/91/26/33/758912633.db2.gz MCDQQGLWNYCZES-AKHDSKFASA-N 2 0 356.432 3.063 20 0 FGADRP CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]Cc3cc4ccncc4s3)C2)[C@@H]1C(C)C ZINC000922396990 758914778 /nfs/dbraw/zinc/91/47/78/758914778.db2.gz ZXTAHDBKWYEDCP-IZBJGVDFSA-N 2 0 359.539 3.256 20 0 FGADRP CC1([NH+]2CCC2)CCC([NH2+]Cc2c(F)cncc2Br)CC1 ZINC000922846854 759014820 /nfs/dbraw/zinc/01/48/20/759014820.db2.gz RCGHCDWSYGQZRE-UHFFFAOYSA-N 2 0 356.283 3.480 20 0 FGADRP O[C@@H](Cc1ccccc1C(F)(F)F)CN1CCC([NH2+]CC2CC2)CC1 ZINC000923291720 759095860 /nfs/dbraw/zinc/09/58/60/759095860.db2.gz FQHTYAMCFARRPS-KRWDZBQOSA-N 2 0 356.432 3.073 20 0 FGADRP [NH3+]CC[C@@H]1CC[N@H+](Cc2ncc(-c3ccc(Br)cc3)o2)C1 ZINC000923482389 759129210 /nfs/dbraw/zinc/12/92/10/759129210.db2.gz FCKPBXCOIOQNMU-GFCCVEGCSA-N 2 0 350.260 3.275 20 0 FGADRP C[C@H](C(=O)N(c1nccs1)C1CCCCC1)[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923501934 759133660 /nfs/dbraw/zinc/13/36/60/759133660.db2.gz XGUQEUOWDMVDER-OAGGEKHMSA-N 2 0 364.559 3.114 20 0 FGADRP C[C@H](NC1CC[NH+](C[C@H]2CCCO2)CC1)c1cccc(Br)n1 ZINC000925057943 759439462 /nfs/dbraw/zinc/43/94/62/759439462.db2.gz VXXVQXQUPJRTFS-DZGCQCFKSA-N 2 0 368.319 3.138 20 0 FGADRP C[C@H]1CC2(CC([NH2+]Cc3c(Cl)cccc3N3CC[NH+](C)CC3)C2)CO1 ZINC000925182748 759460193 /nfs/dbraw/zinc/46/01/93/759460193.db2.gz HKRSOUXXIOZZBG-SHPPYHEDSA-N 2 0 363.933 3.139 20 0 FGADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H]1CCCc2ncc(Br)cc21 ZINC000925241797 759467562 /nfs/dbraw/zinc/46/75/62/759467562.db2.gz SLSKZSFSWAISPN-WMLDXEAASA-N 2 0 370.335 3.168 20 0 FGADRP C[C@@H]([NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1cccc(Br)n1 ZINC000925440378 759488657 /nfs/dbraw/zinc/48/86/57/759488657.db2.gz RDYABJFKOZIJSM-RBSFLKMASA-N 2 0 370.335 3.384 20 0 FGADRP c1ccc2c(c1)O[C@@]1(CC[NH2+]C1)C[C@H]2[NH2+]CCc1nc2c(s1)CCC2 ZINC000925832777 759553781 /nfs/dbraw/zinc/55/37/81/759553781.db2.gz SVISSELUENLOQS-UZLBHIALSA-N 2 0 355.507 3.020 20 0 FGADRP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@H]2[NH2+]CCc1nc2c(s1)CCC2 ZINC000925832775 759554166 /nfs/dbraw/zinc/55/41/66/759554166.db2.gz SVISSELUENLOQS-OXQOHEQNSA-N 2 0 355.507 3.020 20 0 FGADRP [NH3+]CCC[C@@H]([NH2+]CC1(n2cc(Br)cn2)CC1)c1ccccc1 ZINC000925837491 759555033 /nfs/dbraw/zinc/55/50/33/759555033.db2.gz FRGZCGFITALVHF-MRXNPFEDSA-N 2 0 363.303 3.205 20 0 FGADRP C[C@H]([NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)[C@@H](C)c1ccc(Cl)cc1 ZINC000925849435 759557287 /nfs/dbraw/zinc/55/72/87/759557287.db2.gz JFCCXDYREZVADW-KEYYUXOJSA-N 2 0 350.890 3.107 20 0 FGADRP O=C1O[C@@H](C[NH2+][C@H]2CCSc3c(Cl)cccc32)CC12CC[NH2+]CC2 ZINC000925850578 759558331 /nfs/dbraw/zinc/55/83/31/759558331.db2.gz JPGWMIJUETZYRH-DOMZBBRYSA-N 2 0 366.914 3.152 20 0 FGADRP CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+][C@H](C)c3cc(O)cc(F)c3)C2)[C@@H]1C(C)C ZINC000926878166 759835942 /nfs/dbraw/zinc/83/59/42/759835942.db2.gz FFOMVZLJCLSJQS-CLZYOGPISA-N 2 0 350.478 3.052 20 0 FGADRP C[C@@H]([NH2+]C1CCC(C)([NH+]2CCC2)CC1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000927038310 759880606 /nfs/dbraw/zinc/88/06/06/759880606.db2.gz PLNIDDVZNDBSRC-XRTORIHISA-N 2 0 351.535 3.238 20 0 FGADRP CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)C1 ZINC000929694547 760435950 /nfs/dbraw/zinc/43/59/50/760435950.db2.gz BRFYLNCZHFXFOQ-OKZBNKHCSA-N 2 0 351.535 3.098 20 0 FGADRP Cc1nnsc1[C@@H](C)[N@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000929805989 760460217 /nfs/dbraw/zinc/46/02/17/760460217.db2.gz NKGNTAMZSHWXQF-MRXNPFEDSA-N 2 0 365.591 3.036 20 0 FGADRP CC[NH+]1CCN(CC(C)(C)[NH2+]C[C@@H]2[C@@H](c3ccccc3)C2(F)F)CC1 ZINC000930663402 760665788 /nfs/dbraw/zinc/66/57/88/760665788.db2.gz JGNGJXLUOPVNIG-QZTJIDSGSA-N 2 0 351.485 3.041 20 0 FGADRP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]2C[NH+](C)Cc2cccc(Cl)c2)CC[N@@H+]1C ZINC000960642569 762736907 /nfs/dbraw/zinc/73/69/07/762736907.db2.gz QZJQIWXDQNVAJA-ATZDWAIDSA-N 2 0 363.933 3.103 20 0 FGADRP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]([NH+](C)Cc3ccc(Cl)cc3)C2)CC[N@@H+]1C ZINC000971567617 762913890 /nfs/dbraw/zinc/91/38/90/762913890.db2.gz SBEJSEWSWFBYJV-CEXWTWQISA-N 2 0 363.933 3.103 20 0 FGADRP C[C@H]([NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1)c1ccccc1Cl ZINC000983705690 763659440 /nfs/dbraw/zinc/65/94/40/763659440.db2.gz ZIVJYRWWSQKXAV-ULQWZQFMSA-N 2 0 363.933 3.226 20 0 FGADRP C[C@@H]1[C@H](C(=O)N2C[C@@H]([NH2+]Cc3sccc3Cl)C(C)(C)C2)CC[N@@H+]1C ZINC000995827315 764970558 /nfs/dbraw/zinc/97/05/58/764970558.db2.gz UUBROJWDSOFDKW-XJKCOSOUSA-N 2 0 369.962 3.068 20 0 FGADRP C[C@H]([NH2+]C1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1)c1ccccc1Cl ZINC000996603573 765019419 /nfs/dbraw/zinc/01/94/19/765019419.db2.gz PIZZZRLTJZJFRQ-HDMKZQKVSA-N 2 0 363.933 3.322 20 0 FGADRP C[C@@H]1[C@H](C(=O)N2CCC(C[NH2+]Cc3sccc3Cl)CC2)CC[N@@H+]1C ZINC000997786493 765082791 /nfs/dbraw/zinc/08/27/91/765082791.db2.gz RFIVMYWYFTVNKD-UKRRQHHQSA-N 2 0 369.962 3.070 20 0 FGADRP Cc1cc(Cl)ccc1C[NH+]1CCC(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001002851542 765348106 /nfs/dbraw/zinc/34/81/06/765348106.db2.gz KABLMRRDFYIWRS-DNVCBOLYSA-N 2 0 363.933 3.069 20 0 FGADRP CC[C@@H]1[C@@H](C(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)CC[N@@H+]1C ZINC001002859222 765348827 /nfs/dbraw/zinc/34/88/27/765348827.db2.gz LFVKNAMBKPVPFJ-RBUKOAKNSA-N 2 0 363.933 3.151 20 0 FGADRP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc(Cl)cc3Cl)C2)CC[N@@H+]1C ZINC001020172283 765867133 /nfs/dbraw/zinc/86/71/33/765867133.db2.gz VQDSRSDLDAPGBB-RAEVTNRLSA-N 2 0 370.324 3.070 20 0 FGADRP CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@@H]1CC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC001033833789 766223044 /nfs/dbraw/zinc/22/30/44/766223044.db2.gz LOKDKGOHTIPVOR-ATZDWAIDSA-N 2 0 363.933 3.103 20 0 FGADRP CC[C@@H]1[C@@H](C(=O)N2CCCC[C@]3(CC[NH+](C/C=C/Cl)C3)C2)CC[N@@H+]1C ZINC001045938717 766576777 /nfs/dbraw/zinc/57/67/77/766576777.db2.gz JQTFVIDJORBHCA-WLGXFBBCSA-N 2 0 367.965 3.174 20 0 FGADRP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]3[C@@H]2CC[NH+]3Cc2ccsc2)CC[N@@H+]1C ZINC001049483488 766786709 /nfs/dbraw/zinc/78/67/09/766786709.db2.gz XRYXAXXHBGXZRD-MANSERQUSA-N 2 0 361.555 3.044 20 0 FGADRP C[C@@H]1[C@H](C(=O)N[C@@H]2CCC[NH+](Cc3ccccc3Cl)CC2)CC[N@@H+]1C ZINC001052393569 766900289 /nfs/dbraw/zinc/90/02/89/766900289.db2.gz OQCWAFAFHMILBU-KBAYOESNSA-N 2 0 363.933 3.151 20 0 FGADRP C[NH+](C)CCc1ccc(C(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000576714720 505577168 /nfs/dbraw/zinc/57/71/68/505577168.db2.gz GPWZJVCGKFROBW-OAQYLSRUSA-N 2 0 365.521 3.043 20 0 FGADRP O=C(c1ccccc1CC1CC[NH2+]CC1)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000567982735 505589730 /nfs/dbraw/zinc/58/97/30/505589730.db2.gz MMOZMDPVYOFBBH-FQEVSTJZSA-N 2 0 369.553 3.177 20 0 FGADRP O=C([C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)N1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000567982803 505589838 /nfs/dbraw/zinc/58/98/38/505589838.db2.gz RRNCUDJBCDSJLO-ZVDOUQERSA-N 2 0 373.516 3.028 20 0 FGADRP CN(c1ccccc1CN1CC[C@@]2(C1)CCC[N@H+](C)C2)C1CC[NH+](C)CC1 ZINC000568049428 505603686 /nfs/dbraw/zinc/60/36/86/505603686.db2.gz AQPBHSXZQSOGDN-QHCPKHFHSA-N 3 0 370.585 3.135 20 0 FGADRP C[NH+](C)CCCN(CCC[NH+](C)C)Cc1ccc(Br)s1 ZINC000573763618 505613538 /nfs/dbraw/zinc/61/35/38/505613538.db2.gz MPYBQDWMQGCCFH-UHFFFAOYSA-N 2 0 362.381 3.216 20 0 FGADRP C[C@H]1CCCN(CC[NH2+]CCC(=O)Nc2cccc(C(F)(F)F)c2)C1 ZINC000576897816 505619416 /nfs/dbraw/zinc/61/94/16/505619416.db2.gz OYCDXLZODSGBIW-AWEZNQCLSA-N 2 0 357.420 3.356 20 0 FGADRP Cc1ccccc1[C@H]([NH3+])C(=O)Nc1cccc(CN2C[C@H](C)O[C@@H](C)C2)c1 ZINC000576940632 505629759 /nfs/dbraw/zinc/62/97/59/505629759.db2.gz VDGQXKDRXMLTML-FIKGOQFSSA-N 2 0 367.493 3.243 20 0 FGADRP CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)c2ccc(Nc3cc[nH+]cc3)cc2)CC1 ZINC000579950831 505652069 /nfs/dbraw/zinc/65/20/69/505652069.db2.gz WOLJSUWREXZBHN-HXUWFJFHSA-N 2 0 364.493 3.097 20 0 FGADRP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](C[C@@H](C)c3cc(F)cc(F)c3)C2)CC1 ZINC000580035806 505666847 /nfs/dbraw/zinc/66/68/47/505666847.db2.gz MSAMOSRZQBIFAG-OXQOHEQNSA-N 2 0 351.485 3.169 20 0 FGADRP C[C@H]([NH2+][C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)[C@@H](C)c1ccc(Cl)cc1 ZINC000571157618 505667162 /nfs/dbraw/zinc/66/71/62/505667162.db2.gz RMZWYOJGMPGMLS-MKKLKVPQSA-N 2 0 363.933 3.068 20 0 FGADRP C[C@H](c1ccc(Cl)cc1)[C@H](C)[NH2+][C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC000571157619 505667455 /nfs/dbraw/zinc/66/74/55/505667455.db2.gz RMZWYOJGMPGMLS-WHQNNVSFSA-N 2 0 363.933 3.068 20 0 FGADRP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@@H]3CCC[C@@H]32)CC1 ZINC000075768752 493777087 /nfs/dbraw/zinc/77/70/87/493777087.db2.gz TXYRFDHEZQQASB-UGKGYDQZSA-N 2 0 369.553 3.340 20 0 FGADRP CC(C)C[N@@H+]1CC[C@@H](C[NH2+]C[C@H](O)COc2cccc(C(F)(F)F)c2)C1 ZINC000568382267 505680680 /nfs/dbraw/zinc/68/06/80/505680680.db2.gz VNNWPGASPNRLPN-RDJZCZTQSA-N 2 0 374.447 3.013 20 0 FGADRP COc1ccc(-c2ccncc2)cc1C[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000577177823 505680899 /nfs/dbraw/zinc/68/08/99/505680899.db2.gz GSPUHVTUMATTNF-IRLDBZIGSA-N 2 0 367.493 3.085 20 0 FGADRP O[C@H](C[NH2+]CCCC[NH+]1CCC(Cc2ccccc2)CC1)C(F)(F)F ZINC000568384456 505681479 /nfs/dbraw/zinc/68/14/79/505681479.db2.gz HKUOPGFTEUWFIY-GOSISDBHSA-N 2 0 358.448 3.234 20 0 FGADRP CCCC[NH+]1CCC(NC(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000068442169 493821515 /nfs/dbraw/zinc/82/15/15/493821515.db2.gz ZYTJNHNAXJITLU-FQEVSTJZSA-N 2 0 357.542 3.279 20 0 FGADRP C[C@@H]1CC[N@H+](CCOc2ccc(NC(=O)C[C@@H]3CCCC[C@@H]3[NH3+])cc2)C1 ZINC000568387002 505682653 /nfs/dbraw/zinc/68/26/53/505682653.db2.gz JTMLYGGFTLZOPF-UWVAXJGDSA-N 2 0 359.514 3.253 20 0 FGADRP C[C@@H]1C[N@@H+](Cc2ccccc2C[NH2+]Cc2cccc3c2OCO3)C[C@H](C)O1 ZINC000048816816 493847396 /nfs/dbraw/zinc/84/73/96/493847396.db2.gz UVVWFWBRXGMNCW-CALCHBBNSA-N 2 0 368.477 3.314 20 0 FGADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)c2ccc(C[NH+](CC)C3CC3)cc2)C1 ZINC000081363740 493879610 /nfs/dbraw/zinc/87/96/10/493879610.db2.gz FTFUMLCWZKJTEW-LJQANCHMSA-N 2 0 357.542 3.475 20 0 FGADRP C[C@H](CNC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)[N@@H+]1CCCC[C@@H]1C ZINC000061522180 493981850 /nfs/dbraw/zinc/98/18/50/493981850.db2.gz SAMRWYPAJUXSTI-RBUKOAKNSA-N 2 0 372.557 3.345 20 0 FGADRP C[C@H](CC[NH+](C)C)NC(=O)NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000062505761 494015327 /nfs/dbraw/zinc/01/53/27/494015327.db2.gz IXBWIBJVPNOFII-QZTJIDSGSA-N 2 0 360.546 3.058 20 0 FGADRP COc1ccc(C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)cc1Br ZINC000063197357 494032419 /nfs/dbraw/zinc/03/24/19/494032419.db2.gz PMZGPLLKRSUUGH-INIZCTEOSA-N 2 0 353.304 3.422 20 0 FGADRP CC(C)(CNC(=O)NC1CC[NH+](CC2CCCC2)CC1)[NH+]1CCCCC1 ZINC000063407932 494052372 /nfs/dbraw/zinc/05/23/72/494052372.db2.gz IGDVULQCIQQKFN-UHFFFAOYSA-N 2 0 364.578 3.205 20 0 FGADRP C[C@H]1C[NH+](CCCC[NH2+]Cc2cnc(-c3ccccn3)s2)C[C@H](C)O1 ZINC000084656585 494090904 /nfs/dbraw/zinc/09/09/04/494090904.db2.gz FHMQUKZAUCFKCY-HOTGVXAUSA-N 2 0 360.527 3.184 20 0 FGADRP CC[N@H+](C)Cc1cccc(CNC(=O)N2CCC(C[NH+](C)C(C)C)CC2)c1 ZINC000064229453 494107456 /nfs/dbraw/zinc/10/74/56/494107456.db2.gz WGPYWFJLLRLJGT-UHFFFAOYSA-N 2 0 374.573 3.400 20 0 FGADRP C[C@@H](NC(=O)NCc1ccccc1C[NH+]1CCCC1)C(C)(C)C[NH+](C)C ZINC000085358298 494115778 /nfs/dbraw/zinc/11/57/78/494115778.db2.gz BSHSCBINPFCCCS-QGZVFWFLSA-N 2 0 360.546 3.058 20 0 FGADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)N1CCC(C[NH+](C)C(C)C)CC1 ZINC000077644952 494131339 /nfs/dbraw/zinc/13/13/39/494131339.db2.gz LSOLXSRXCXSETJ-IBGZPJMESA-N 2 0 352.567 3.013 20 0 FGADRP C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)NC[C@]2(C)CCC[NH2+]C2)C1 ZINC000571300792 505702081 /nfs/dbraw/zinc/70/20/81/505702081.db2.gz SWTSIFYDGIYZRY-XMSQKQJNSA-N 2 0 372.557 3.107 20 0 FGADRP CCC[NH+]1CCC(N(C)C(=O)NCCCCC[NH+]2CCCCC2)CC1 ZINC000577304705 505702789 /nfs/dbraw/zinc/70/27/89/505702789.db2.gz OADPLRAICJRCCA-UHFFFAOYSA-N 2 0 352.567 3.158 20 0 FGADRP CC(C)Oc1ccc(C[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cn1 ZINC000571312781 505704613 /nfs/dbraw/zinc/70/46/13/505704613.db2.gz BNVWKERGZKODKI-WIYYLYMNSA-N 2 0 353.466 3.214 20 0 FGADRP Cc1ccccc1[C@H]([NH3+])C(=O)N1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000574154195 505707184 /nfs/dbraw/zinc/70/71/84/505707184.db2.gz WECVROHPIBQOTP-QFIPXVFZSA-N 2 0 365.521 3.365 20 0 FGADRP O=C(Nc1ccc(CC[NH+]2CCCCC2)cc1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000066160619 494280663 /nfs/dbraw/zinc/28/06/63/494280663.db2.gz AOJIEROINJTDFE-NRFANRHFSA-N 2 0 370.541 3.417 20 0 FGADRP CC[C@H](C)[N@H+](C)CCNC(=O)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000066196710 494287680 /nfs/dbraw/zinc/28/76/80/494287680.db2.gz OUCLVJFWBMGUNI-SFHVURJKSA-N 2 0 352.567 3.014 20 0 FGADRP CC[NH+](CC)CCC[C@@H](C)NC(=O)C1CCN(c2cc[nH+]cc2C)CC1 ZINC000073012512 494305742 /nfs/dbraw/zinc/30/57/42/494305742.db2.gz YQKMFHDUHOJLQC-GOSISDBHSA-N 2 0 360.546 3.233 20 0 FGADRP Cc1ccc([C@H](CNC(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)[NH+](C)C)cc1 ZINC000078523127 494313713 /nfs/dbraw/zinc/31/37/13/494313713.db2.gz SSCZEDVZGLAYOW-ICSRJNTNSA-N 2 0 360.546 3.017 20 0 FGADRP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000066410591 494329301 /nfs/dbraw/zinc/32/93/01/494329301.db2.gz LTOGEZUVHUDMLY-JOCHJYFZSA-N 2 0 365.521 3.185 20 0 FGADRP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000066410592 494329677 /nfs/dbraw/zinc/32/96/77/494329677.db2.gz LTOGEZUVHUDMLY-QFIPXVFZSA-N 2 0 365.521 3.185 20 0 FGADRP Cc1ccccc1[C@H]([NH3+])C(=O)Nc1ccc(OCC[NH+]2CCCC2)c(C)c1 ZINC000577369414 505714457 /nfs/dbraw/zinc/71/44/57/505714457.db2.gz AJRJZTPJLCDVAZ-NRFANRHFSA-N 2 0 367.493 3.417 20 0 FGADRP CC(C)[NH+]1CCC([N@H+](C)C[C@@H](O)CO[C@@H]2CCCc3ccccc32)CC1 ZINC000078804627 494364711 /nfs/dbraw/zinc/36/47/11/494364711.db2.gz SUJIXHGUPLERCI-IFMALSPDSA-N 2 0 360.542 3.246 20 0 FGADRP CCc1ccc([C@@H](CNC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)[NH+](C)C)cc1 ZINC000073494057 494378016 /nfs/dbraw/zinc/37/80/16/494378016.db2.gz KODAYGCKTPINCV-OTYNDTSQSA-N 2 0 372.557 3.166 20 0 FGADRP C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)c2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000044907665 494388408 /nfs/dbraw/zinc/38/84/08/494388408.db2.gz FHAISTAMJABHOR-OALUTQOASA-N 2 0 357.542 3.380 20 0 FGADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000073724275 494418884 /nfs/dbraw/zinc/41/88/84/494418884.db2.gz ZRSZVQWHNMKOMF-LEWJYISDSA-N 2 0 372.557 3.024 20 0 FGADRP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCCC[C@H]2CCc2ccccc2)CC1 ZINC000090010461 494428182 /nfs/dbraw/zinc/42/81/82/494428182.db2.gz JOPLKTGFZCPRTC-NRFANRHFSA-N 2 0 357.542 3.074 20 0 FGADRP CCc1ccc([C@H](C)[NH2+]Cc2ccc(C(=O)NCC[NH+](C)C)cc2)s1 ZINC000090038743 494432147 /nfs/dbraw/zinc/43/21/47/494432147.db2.gz FYAGHSCQGFYTNR-HNNXBMFYSA-N 2 0 359.539 3.453 20 0 FGADRP CC(C)[NH+]1CCC(C(=O)NC[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)CC1 ZINC000073959231 494457284 /nfs/dbraw/zinc/45/72/84/494457284.db2.gz GIAIVFPDWIFOIA-MJGOQNOKSA-N 2 0 363.571 3.368 20 0 FGADRP C[C@H](C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)[NH+]1CCCCCC1 ZINC000074249907 494504108 /nfs/dbraw/zinc/50/41/08/494504108.db2.gz TUCHEROKCVMJQS-MSOLQXFVSA-N 2 0 363.571 3.341 20 0 FGADRP C[C@H](CNC(=O)c1oc2ccccc2c1C[NH+](C)C)[NH+]1CCC(C)CC1 ZINC000074257097 494505143 /nfs/dbraw/zinc/50/51/43/494505143.db2.gz UYVOYHBQVYCYSE-MRXNPFEDSA-N 2 0 357.498 3.345 20 0 FGADRP CC[NH+](CC)[C@H](C)CNC(=O)N1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000067389509 494530377 /nfs/dbraw/zinc/53/03/77/494530377.db2.gz FCFQDLZWMMHWNC-LJQANCHMSA-N 2 0 374.573 3.270 20 0 FGADRP C[C@@H](CNC(=O)c1oc2ccccc2c1C[NH+](C)C)[N@@H+]1CCCC[C@H]1C ZINC000074470489 494543772 /nfs/dbraw/zinc/54/37/72/494543772.db2.gz MQEJONUNXYKZGD-CVEARBPZSA-N 2 0 357.498 3.487 20 0 FGADRP C[C@@H](c1ccc(OC(F)F)cc1)[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000067457279 494545401 /nfs/dbraw/zinc/54/54/01/494545401.db2.gz MKDDTYVOFPJMSN-HNNXBMFYSA-N 2 0 354.441 3.393 20 0 FGADRP C[C@H](NC(=O)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1)C(C)(C)C[NH+](C)C ZINC000121070269 494580437 /nfs/dbraw/zinc/58/04/37/494580437.db2.gz YUUTYWKNBKHLOM-RBUKOAKNSA-N 2 0 366.594 3.116 20 0 FGADRP CC(C)(C)NC(=O)C[NH+]1CCC(C[NH2+][C@H](c2ccccc2)C2CC2)CC1 ZINC000091368229 494588194 /nfs/dbraw/zinc/58/81/94/494588194.db2.gz XCZUTKZXHOMQNM-OAQYLSRUSA-N 2 0 357.542 3.354 20 0 FGADRP CC[C@@H]([NH2+]C[C@@H](C)CN1CC[NH+](C)CC1)c1ccccc1Br ZINC000121093654 494593743 /nfs/dbraw/zinc/59/37/43/494593743.db2.gz BDWVPVPUKVTBLQ-CRAIPNDOSA-N 2 0 368.363 3.373 20 0 FGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@@H]2CCSc3ccc(F)cc32)CC1 ZINC000121105386 494598382 /nfs/dbraw/zinc/59/83/82/494598382.db2.gz XTNJBCXXQOLSPQ-MAUKXSAKSA-N 2 0 351.535 3.226 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N(C)C[C@H]1CCC[N@H+](C)C1)c1ccccc1 ZINC000115785786 494621231 /nfs/dbraw/zinc/62/12/31/494621231.db2.gz QKZQWNJTUUNPFB-AZUAARDMSA-N 2 0 360.546 3.053 20 0 FGADRP CC[NH+](CC)Cc1ccc(CNC(=O)N(C)C[C@H]2CCC[N@H+](C)C2)cc1 ZINC000115789722 494622504 /nfs/dbraw/zinc/62/25/04/494622504.db2.gz DQPQWOUVBHKWHW-FQEVSTJZSA-N 2 0 360.546 3.012 20 0 FGADRP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](C[C@@H]2C[C@@H]2c2ccccc2)CC1 ZINC000092426675 494623335 /nfs/dbraw/zinc/62/33/35/494623335.db2.gz FGVWLUDCXAWZTK-LEWJYISDSA-N 2 0 371.569 3.206 20 0 FGADRP C[C@H]1CCCC[N@@H+]1CCCNC(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000024571057 494640729 /nfs/dbraw/zinc/64/07/29/494640729.db2.gz FFASVFJWLOCTCI-IBGZPJMESA-N 2 0 372.557 3.215 20 0 FGADRP CC[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1CC(=O)NC1CC[NH+](CC)CC1 ZINC000074992081 494670273 /nfs/dbraw/zinc/67/02/73/494670273.db2.gz MLEFURVPYZZXHG-RTWAWAEBSA-N 2 0 357.542 3.245 20 0 FGADRP CC[C@@H](c1ccccc1)[C@H]1CCC[N@@H+]1CC(=O)NC1CC[NH+](CC)CC1 ZINC000074992082 494670311 /nfs/dbraw/zinc/67/03/11/494670311.db2.gz MLEFURVPYZZXHG-LEWJYISDSA-N 2 0 357.542 3.245 20 0 FGADRP C[NH+](C)CCOc1ccccc1C(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000080331366 494678882 /nfs/dbraw/zinc/67/88/82/494678882.db2.gz RXWPFZSXHRUMPG-UHFFFAOYSA-N 2 0 361.530 3.011 20 0 FGADRP C[N@@H+]1CCC[C@H](C[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccncc2)C1 ZINC000108429099 494705058 /nfs/dbraw/zinc/70/50/58/494705058.db2.gz RUKGHOZHSQVFAD-GOSISDBHSA-N 2 0 361.493 3.366 20 0 FGADRP CC[NH+](CC)C[C@H]1CCN(C(=O)c2oc3ccccc3c2C[NH+](C)C)C1 ZINC000075215741 494709106 /nfs/dbraw/zinc/70/91/06/494709106.db2.gz AZUIEWJNZRLYTL-MRXNPFEDSA-N 2 0 357.498 3.298 20 0 FGADRP COc1cccc(C[C@H]([NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)C2CC2)c1 ZINC000121395904 494737334 /nfs/dbraw/zinc/73/73/34/494737334.db2.gz NMLBFBSBLYFOFJ-GCJKJVERSA-N 2 0 358.526 3.107 20 0 FGADRP C[N@@H+]1CCC[C@H](CNC(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)C1 ZINC000108567443 494741953 /nfs/dbraw/zinc/74/19/53/494741953.db2.gz QNRCXDBTTFZLSL-OAQYLSRUSA-N 2 0 372.557 3.204 20 0 FGADRP O=C(Nc1cccc(C[NH+]2CCSCC2)c1)[C@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC000080610603 494743884 /nfs/dbraw/zinc/74/38/84/494743884.db2.gz BLUWDRXZEXYDIV-HKUYNNGSSA-N 2 0 359.539 3.048 20 0 FGADRP CC[NH+](CC)CCCNC(=O)C1CC[NH+](C[C@@H]2CCC[C@@H](C)C2)CC1 ZINC000092794255 494751569 /nfs/dbraw/zinc/75/15/69/494751569.db2.gz AOMUPENMPLPWPJ-RTBURBONSA-N 2 0 351.579 3.373 20 0 FGADRP C[C@H](C(=O)NC1CCCC1)[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821126 494764602 /nfs/dbraw/zinc/76/46/02/494764602.db2.gz JRLKDENHUQRLSJ-QGZVFWFLSA-N 2 0 358.530 3.067 20 0 FGADRP C[C@@H]1CCC[C@H](C)N1C(=O)C[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821535 494764844 /nfs/dbraw/zinc/76/48/44/494764844.db2.gz PEBIVABXTLVNPP-KDURUIRLSA-N 2 0 372.557 3.409 20 0 FGADRP Cc1cc(Cl)c2c(c1)[C@@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)CCCO2 ZINC000126520998 494778202 /nfs/dbraw/zinc/77/82/02/494778202.db2.gz DCADJUXISDZQGN-IBGZPJMESA-N 2 0 365.949 3.478 20 0 FGADRP C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)NC2CC[NH+](C)CC2)C1 ZINC000047885564 494787795 /nfs/dbraw/zinc/78/77/95/494787795.db2.gz ACFRSORLNYBEON-ROUUACIJSA-N 2 0 372.557 3.058 20 0 FGADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H]2CCCOc3cc4c(cc32)CCCC4)CC1 ZINC000126552596 494787923 /nfs/dbraw/zinc/78/79/23/494787923.db2.gz FIWILAIFQWWTLH-AVRDEDQJSA-N 2 0 371.569 3.395 20 0 FGADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000075538694 494789893 /nfs/dbraw/zinc/78/98/93/494789893.db2.gz ZKKODZTVYJLBIT-FQEVSTJZSA-N 2 0 372.557 3.024 20 0 FGADRP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000092139682 494797429 /nfs/dbraw/zinc/79/74/29/494797429.db2.gz MEFGJZBPLOSGNH-NRFANRHFSA-N 2 0 373.541 3.057 20 0 FGADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000116529773 494808169 /nfs/dbraw/zinc/80/81/69/494808169.db2.gz UZAOJUMYKSARKB-OALUTQOASA-N 2 0 372.557 3.386 20 0 FGADRP C[C@H](C[NH2+][C@@H]1CCCOc2cc3c(cc21)CCCC3)CN1CC[NH+](C)CC1 ZINC000126648635 494810550 /nfs/dbraw/zinc/81/05/50/494810550.db2.gz IKOUGHRIKMIWFS-XMSQKQJNSA-N 2 0 371.569 3.252 20 0 FGADRP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3ccc(-c4ccncc4)cc3F)C2)CC1 ZINC000093132709 494830142 /nfs/dbraw/zinc/83/01/42/494830142.db2.gz VPUHWHBIKLCPFO-NRFANRHFSA-N 2 0 368.500 3.100 20 0 FGADRP O=C([C@H]1CCC[N@H+](Cc2ccccc2)C1)N1CCC([NH2+]C2CCCC2)CC1 ZINC000126886784 494856498 /nfs/dbraw/zinc/85/64/98/494856498.db2.gz ZDGPSVMUZJETSV-FQEVSTJZSA-N 2 0 369.553 3.422 20 0 FGADRP Cc1cc(Cl)cc2c1OCCC[C@@H]2[NH2+]CCCC[NH+]1CCN(C)CC1 ZINC000121905684 494886110 /nfs/dbraw/zinc/88/61/10/494886110.db2.gz CFJVHXBVXRAFCJ-IBGZPJMESA-N 2 0 365.949 3.479 20 0 FGADRP Cc1cc(C)c2c(c1)[C@H]([NH2+]C[C@@H](C(C)C)N1CC[NH+](C)CC1)CCCO2 ZINC000132535546 494889195 /nfs/dbraw/zinc/88/91/95/494889195.db2.gz HEBXZHNPRYDQCK-RTWAWAEBSA-N 2 0 359.558 3.379 20 0 FGADRP CC(C)[C@H](C[NH2+][C@H](C)c1ccc(F)cc1OC(F)F)N1CC[NH+](C)CC1 ZINC000132554708 494891513 /nfs/dbraw/zinc/89/15/13/494891513.db2.gz XKXFFHDNNJOCOL-PBHICJAKSA-N 2 0 373.463 3.350 20 0 FGADRP Cc1c[nH+]ccc1N1CCC(C(=O)N[C@@H](CC(C)C)C[NH+]2CCCC2)CC1 ZINC000580398332 505749785 /nfs/dbraw/zinc/74/97/85/505749785.db2.gz KUTNLCQKKDIQKK-FQEVSTJZSA-N 2 0 372.557 3.233 20 0 FGADRP CC(=O)Nc1ccc(C[NH+]2CCC(CC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)cc1 ZINC000093844303 494926886 /nfs/dbraw/zinc/92/68/86/494926886.db2.gz KQTSMLVWFRCHGS-QZTJIDSGSA-N 2 0 373.541 3.356 20 0 FGADRP C[C@@H]1C[N@@H+](CCC2CC[NH+](Cc3cccc4c[nH]nc43)CC2)C[C@H](C)O1 ZINC000093844286 494927440 /nfs/dbraw/zinc/92/74/40/494927440.db2.gz YYHDVHVXVGHFOZ-CALCHBBNSA-N 2 0 356.514 3.274 20 0 FGADRP C[C@@H](CS(=O)(=O)c1ccccc1)[NH2+]CCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000122138221 494929801 /nfs/dbraw/zinc/92/98/01/494929801.db2.gz WPFIXUADUBZION-QRVBRYPASA-N 2 0 366.571 3.197 20 0 FGADRP C[C@H]([NH2+]CCN1CCc2sccc2C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000132827987 494930254 /nfs/dbraw/zinc/93/02/54/494930254.db2.gz TZMVCFSVBBDTEZ-KRWDZBQOSA-N 2 0 373.566 3.397 20 0 FGADRP C[C@@H]1C[NH+](CCCC[NH2+]Cc2cn(C)nc2-c2cccs2)C[C@@H](C)O1 ZINC000093962039 494938170 /nfs/dbraw/zinc/93/81/70/494938170.db2.gz LDFJMSBNSGZSPR-HZPDHXFCSA-N 2 0 362.543 3.128 20 0 FGADRP C[C@H]([NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1)c1ccccc1N(C)C ZINC000093945996 494938479 /nfs/dbraw/zinc/93/84/79/494938479.db2.gz WNHUQAZJWXBMMN-IBGZPJMESA-N 2 0 358.574 3.354 20 0 FGADRP COc1ccc(Cl)cc1C1(C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)CCOCC1 ZINC000574338981 505750656 /nfs/dbraw/zinc/75/06/56/505750656.db2.gz ISFYRCLPIMTMSU-JKSUJKDBSA-N 2 0 352.906 3.256 20 0 FGADRP C[C@@H]1C[N@@H+](CCCC[NH2+]Cc2cn(C)nc2-c2cccs2)C[C@H](C)O1 ZINC000093962034 494938596 /nfs/dbraw/zinc/93/85/96/494938596.db2.gz LDFJMSBNSGZSPR-IYBDPMFKSA-N 2 0 362.543 3.128 20 0 FGADRP COc1ccc(Cl)cc1C1(C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)CCOCC1 ZINC000574338978 505750713 /nfs/dbraw/zinc/75/07/13/505750713.db2.gz ISFYRCLPIMTMSU-CVEARBPZSA-N 2 0 352.906 3.256 20 0 FGADRP C[C@H](NC1CC[NH+](C[C@H]2CCOC2)CC1)c1cccc(OC(F)F)c1 ZINC000132929359 494944232 /nfs/dbraw/zinc/94/42/32/494944232.db2.gz FLOSXRMRYUVEMV-LSDHHAIUSA-N 2 0 354.441 3.440 20 0 FGADRP C[C@@H](NC1CC[NH+](C[C@H]2CCOC2)CC1)c1cccc(OC(F)F)c1 ZINC000132929622 494944731 /nfs/dbraw/zinc/94/47/31/494944731.db2.gz FLOSXRMRYUVEMV-HUUCEWRRSA-N 2 0 354.441 3.440 20 0 FGADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H]1CCCc2ncc(C(F)(F)F)cc21 ZINC000133211531 494985761 /nfs/dbraw/zinc/98/57/61/494985761.db2.gz XMIOCSKEPPSTSV-YOEHRIQHSA-N 2 0 359.436 3.424 20 0 FGADRP CC[C@@H](CSc1ccc(Cl)cc1)[NH2+]C[C@H](C)N1CC[NH+](C)CC1 ZINC000127769657 494994682 /nfs/dbraw/zinc/99/46/82/494994682.db2.gz PPEMZIBGIRJLFY-RDJZCZTQSA-N 2 0 355.979 3.436 20 0 FGADRP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]CCc1c[nH]c2ccc(F)cc12 ZINC000127911896 495016954 /nfs/dbraw/zinc/01/69/54/495016954.db2.gz FWLNRSJVZWBUAA-BPAFIMBUSA-N 2 0 359.489 3.329 20 0 FGADRP C[C@@H](C[NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)c1ccc(F)cc1 ZINC000127950003 495021399 /nfs/dbraw/zinc/02/13/99/495021399.db2.gz WPCTYDDTJJESKU-INIZCTEOSA-N 2 0 357.473 3.010 20 0 FGADRP COc1ccc(C[NH2+][C@@H](C)c2cccc(OCC[NH+](C)C)c2)c(OC)c1 ZINC000118954441 495057262 /nfs/dbraw/zinc/05/72/62/495057262.db2.gz UXNBTPZGNPKMTM-INIZCTEOSA-N 2 0 358.482 3.495 20 0 FGADRP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@H](C)CS(=O)(=O)c2ccccc2)c1 ZINC000122962548 495060954 /nfs/dbraw/zinc/06/09/54/495060954.db2.gz MKDGWGZNUTZVEY-GOSISDBHSA-N 2 0 374.550 3.479 20 0 FGADRP CC[C@@H]([NH2+]CCCN1CCC[N@H+](C)CC1)c1cc(Cl)ccc1OC ZINC000128275949 495072165 /nfs/dbraw/zinc/07/21/65/495072165.db2.gz VSQFFOGUJCQDFD-GOSISDBHSA-N 2 0 353.938 3.417 20 0 FGADRP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC2CC[NH+](C(C)(C)C)CC2)C1 ZINC000111474234 495080050 /nfs/dbraw/zinc/08/00/50/495080050.db2.gz PHMUAGTZDGWSSP-KRWDZBQOSA-N 2 0 366.594 3.449 20 0 FGADRP COc1cc(CN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)ccc1OCC(F)(F)F ZINC000101593176 495083370 /nfs/dbraw/zinc/08/33/70/495083370.db2.gz XZIQOTUBROUOBS-LSDHHAIUSA-N 2 0 358.404 3.353 20 0 FGADRP C[C@@H](C(=O)NCC1CC[NH+](Cc2cccs2)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000101663865 495090262 /nfs/dbraw/zinc/09/02/62/495090262.db2.gz DUGSFWFELXPHPR-BBWFWOEESA-N 2 0 363.571 3.338 20 0 FGADRP CC[NH+](CC)[C@H](CN[C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@@H]1C)c1ccco1 ZINC000119105676 495094277 /nfs/dbraw/zinc/09/42/77/495094277.db2.gz DSPPKHDRHGHFQP-VNTMZGSJSA-N 2 0 363.546 3.142 20 0 FGADRP Clc1ccc(-c2n[nH]cc2C[NH+]2CCC(C[NH+]3CCOCC3)CC2)cc1 ZINC000134096801 495105265 /nfs/dbraw/zinc/10/52/65/495105265.db2.gz WWRFDWVPLPIVSZ-UHFFFAOYSA-N 2 0 374.916 3.274 20 0 FGADRP C[NH+](C)Cc1cccc(C(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)c1 ZINC000128560040 495116270 /nfs/dbraw/zinc/11/62/70/495116270.db2.gz VFHATFGEOHJLKF-OAQYLSRUSA-N 2 0 351.494 3.315 20 0 FGADRP COc1cc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)ccc1OC(=O)C1CC1 ZINC000134208686 495121525 /nfs/dbraw/zinc/12/15/25/495121525.db2.gz KQCLNTQGGJBESD-UHFFFAOYSA-N 2 0 372.509 3.318 20 0 FGADRP C[NH+](C)CCCCCCCNC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000128695389 495136453 /nfs/dbraw/zinc/13/64/53/495136453.db2.gz UGSRHLADJHLEPG-ICSRJNTNSA-N 2 0 364.578 3.157 20 0 FGADRP C[C@@H](C(=O)Nc1ccc(F)c(F)c1)[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123481336 495138680 /nfs/dbraw/zinc/13/86/80/495138680.db2.gz SYLCPWMKSNUECC-AWEZNQCLSA-N 2 0 353.457 3.346 20 0 FGADRP C[NH+](C)CCCC1CC[NH+](CCCCN2C(=O)c3ccccc3C2=O)CC1 ZINC000123549766 495150665 /nfs/dbraw/zinc/15/06/65/495150665.db2.gz FZZNHNFPPOHIHG-UHFFFAOYSA-N 2 0 371.525 3.117 20 0 FGADRP COc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000119421362 495163283 /nfs/dbraw/zinc/16/32/83/495163283.db2.gz ZGIWLDGWUXWFFY-KGLIPLIRSA-N 2 0 365.905 3.140 20 0 FGADRP C[C@@H]1C[C@@H](N(C)C(=O)NC[C@]2(C)CCC[NH+]2Cc2ccccc2)CC[N@@H+]1C ZINC000119589541 495196926 /nfs/dbraw/zinc/19/69/26/495196926.db2.gz LMNWPUAMYMLKAY-CBQOVEMMSA-N 2 0 372.557 3.165 20 0 FGADRP C[C@H](NC(=O)NC1CC[NH+](C2CCCCC2)CC1)C(C)(C)C[NH+](C)C ZINC000119595796 495198432 /nfs/dbraw/zinc/19/84/32/495198432.db2.gz JRBSNNQUCWDDQQ-INIZCTEOSA-N 2 0 352.567 3.059 20 0 FGADRP C[NH+](C)CCNC(=O)c1ccc(C[NH2+]Cc2cccc3ccccc32)cc1 ZINC000123882555 495201070 /nfs/dbraw/zinc/20/10/70/495201070.db2.gz ZJFNBCKTRSGWOM-UHFFFAOYSA-N 2 0 361.489 3.421 20 0 FGADRP CC[NH+](CC)Cc1cccc(C[NH2+][C@H](C)C(=O)Nc2ccnn2C(C)C)c1 ZINC000112531572 495201855 /nfs/dbraw/zinc/20/18/55/495201855.db2.gz PHXFHJGHCRIHAD-QGZVFWFLSA-N 2 0 371.529 3.423 20 0 FGADRP CC(C)[NH+](CCCNC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)C(C)C ZINC000129303051 495226107 /nfs/dbraw/zinc/22/61/07/495226107.db2.gz ZOEHOHPKYYGFQL-ICSRJNTNSA-N 2 0 364.578 3.154 20 0 FGADRP CC1CC[NH+](Cc2ccc(CNC(=O)N3CC[C@@H](C[NH+](C)C)C3)cc2)CC1 ZINC000129456533 495248230 /nfs/dbraw/zinc/24/82/30/495248230.db2.gz WUUBLHVYCJPMGD-NRFANRHFSA-N 2 0 372.557 3.012 20 0 FGADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)c2cccc(C[NH+]3CCCC3)c2)C1 ZINC000124420710 495284189 /nfs/dbraw/zinc/28/41/89/495284189.db2.gz BWMIRMQHBZBLIQ-HXUWFJFHSA-N 2 0 357.542 3.380 20 0 FGADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)NCC[NH+](C)C1CCCC1 ZINC000104787362 495304822 /nfs/dbraw/zinc/30/48/22/495304822.db2.gz VOOSTYCICORCNT-UHFFFAOYSA-N 2 0 360.546 3.200 20 0 FGADRP COc1ccc2oc(C[NH2+]C3CCN(C4CC[NH+](C)CC4)CC3)cc2c1 ZINC000124620588 495317764 /nfs/dbraw/zinc/31/77/64/495317764.db2.gz ZLFWJTONQAOPDH-UHFFFAOYSA-N 2 0 357.498 3.090 20 0 FGADRP C[NH+](C/C=C/C[N@@H+](C)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000120250380 495336201 /nfs/dbraw/zinc/33/62/01/495336201.db2.gz QCJBUMWYBXTERT-QVAOEQBBSA-N 2 0 362.558 3.033 20 0 FGADRP C[NH+](C/C=C/C[N@@H+](C)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000120250032 495336220 /nfs/dbraw/zinc/33/62/20/495336220.db2.gz QCJBUMWYBXTERT-GOTUNDMSSA-N 2 0 362.558 3.033 20 0 FGADRP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N[C@@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000105149855 495340959 /nfs/dbraw/zinc/34/09/59/495340959.db2.gz CUFUFSOMKZAHBM-LEWJYISDSA-N 2 0 372.557 3.071 20 0 FGADRP Cc1ccc([C@H](CNC(=O)NCCCCNc2ccccn2)[NH+](C)C)cc1 ZINC000105198118 495344378 /nfs/dbraw/zinc/34/43/78/495344378.db2.gz NZGYUGRQXAKSDD-IBGZPJMESA-N 2 0 369.513 3.184 20 0 FGADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H]1CC2(CCCCC2)Oc2ccccc21 ZINC000130141260 495347580 /nfs/dbraw/zinc/34/75/80/495347580.db2.gz FLEZLQOXZVZVSB-UYAOXDASSA-N 2 0 357.542 3.439 20 0 FGADRP CC1CC[NH+](C[C@@H]2CCCN(C(=O)NCC[N@H+](C)C3CCCC3)C2)CC1 ZINC000105294807 495353390 /nfs/dbraw/zinc/35/33/90/495353390.db2.gz JMEDUARPCBRASV-IBGZPJMESA-N 2 0 364.578 3.014 20 0 FGADRP C[N@@H+]1CCCN(CCC[NH2+]Cc2csc(-c3ccc(F)cc3)n2)CC1 ZINC000105476709 495365825 /nfs/dbraw/zinc/36/58/25/495365825.db2.gz GBVYPLIVPSEISY-UHFFFAOYSA-N 2 0 362.518 3.066 20 0 FGADRP Cc1ccc([C@H]2CCC[N@H+]2CC(=O)NC2CC[NH+](C(C)C)CC2)cc1C ZINC000114455702 495377097 /nfs/dbraw/zinc/37/70/97/495377097.db2.gz NGLQNCKQFNDOTD-OAQYLSRUSA-N 2 0 357.542 3.429 20 0 FGADRP CCc1ccc([C@@H](C)NC(=O)[C@H](C)[N@H+](C)CCCn2ccnc2C)cc1 ZINC000130364326 495380726 /nfs/dbraw/zinc/38/07/26/495380726.db2.gz RFGCSPFCUUCGMI-SJORKVTESA-N 2 0 356.514 3.342 20 0 FGADRP COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]CCC1CC[NH+](C)CC1 ZINC000125415264 495440890 /nfs/dbraw/zinc/44/08/90/495440890.db2.gz FYCOYQZJANYZOV-AWEZNQCLSA-N 2 0 367.921 3.387 20 0 FGADRP CC1CC[NH+](C2CCC(NC(=O)NCCC3CC[NH+](C)CC3)CC2)CC1 ZINC000125483974 495452332 /nfs/dbraw/zinc/45/23/32/495452332.db2.gz GOTBXYGYFMHLNR-UHFFFAOYSA-N 2 0 364.578 3.061 20 0 FGADRP O=C(NCc1ccc(C[NH+]2CCCC2)cc1)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000106522017 495461625 /nfs/dbraw/zinc/46/16/25/495461625.db2.gz SRQJNUVBWLFGTO-FQEVSTJZSA-N 2 0 370.541 3.099 20 0 FGADRP C[C@@H](CN[C@@H](C)c1ccc(S(C)(=O)=O)c(F)c1)C[NH+]1CCCCC1 ZINC000125606859 495470560 /nfs/dbraw/zinc/47/05/60/495470560.db2.gz YTVVCJHYUUFLIP-GJZGRUSLSA-N 2 0 356.507 3.002 20 0 FGADRP c1ccc([C@H](C[NH+]2CCCC2)NC2CC[NH+](Cc3cccnc3)CC2)cc1 ZINC000120885331 495478210 /nfs/dbraw/zinc/47/82/10/495478210.db2.gz ZULGLPMZQGUTRU-QHCPKHFHSA-N 2 0 364.537 3.473 20 0 FGADRP C[NH+](C)CCN(C(=O)NC1CC[NH+](Cc2ccccc2)CC1)C1CCCC1 ZINC000115633232 495521603 /nfs/dbraw/zinc/52/16/03/495521603.db2.gz IDJIXWGRMMHYMP-UHFFFAOYSA-N 2 0 372.557 3.167 20 0 FGADRP C[C@H]([NH2+]CCCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000158564692 495539202 /nfs/dbraw/zinc/53/92/02/495539202.db2.gz FKLDNRZFWAAQOM-KSZLIROESA-N 2 0 366.571 3.499 20 0 FGADRP CN(C(=O)c1ccccc1C[NH+](C)C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000580567982 505788176 /nfs/dbraw/zinc/78/81/76/505788176.db2.gz QZENANSKNNHYHR-HXUWFJFHSA-N 2 0 351.494 3.095 20 0 FGADRP CC[NH+]1CCN(CCC[NH2+][C@H](C)c2sc(C(C)(C)C)nc2C)CC1 ZINC000154301889 495573928 /nfs/dbraw/zinc/57/39/28/495573928.db2.gz BMRQKCHHYXAOEX-OAHLLOKOSA-N 2 0 352.592 3.427 20 0 FGADRP Cc1cccc2c1[C@H](C)C[C@H]2[NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000179397855 495575870 /nfs/dbraw/zinc/57/58/70/495575870.db2.gz FQUHDMQVTNLRMU-YLJYHZDGSA-N 2 0 350.510 3.480 20 0 FGADRP CC[NH+]1CCN(CCC[NH2+][C@H](C)c2nc(-c3ccccc3)cs2)CC1 ZINC000154318439 495579961 /nfs/dbraw/zinc/57/99/61/495579961.db2.gz OICYVZXDNDLCBJ-QGZVFWFLSA-N 2 0 358.555 3.488 20 0 FGADRP C[C@@H]1CC[N@@H+]([C@@H]2CCCN(c3cccc(F)c3)C2=O)C[C@@H]1n1ccnc1 ZINC000159008074 495635835 /nfs/dbraw/zinc/63/58/35/495635835.db2.gz MUTYXYXCSBHEBV-LZQZEXGQSA-N 2 0 356.445 3.101 20 0 FGADRP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@H]2CCN(c3ncc(C(F)(F)F)cc3Cl)C2)C1 ZINC000574531125 505794250 /nfs/dbraw/zinc/79/42/50/505794250.db2.gz LYKPTXKYRFSVML-UPJWGTAASA-N 2 0 362.827 3.192 20 0 FGADRP C[NH+]1CCN(c2ncccc2C[NH2+][C@@H]2CCCc3cc(F)ccc32)CC1 ZINC000182632134 495643833 /nfs/dbraw/zinc/64/38/33/495643833.db2.gz VEWZOHRAXNKMAW-HXUWFJFHSA-N 2 0 354.473 3.140 20 0 FGADRP COCCC[NH+]1CCC([NH2+][C@@H](C)c2cc(OC)c(OC)cc2C)CC1 ZINC000159067816 495649368 /nfs/dbraw/zinc/64/93/68/495649368.db2.gz ZQIXINISPURUQO-INIZCTEOSA-N 2 0 350.503 3.164 20 0 FGADRP C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)NC[C@@H]2CC[NH+](C)C2)c1 ZINC000170913794 495650112 /nfs/dbraw/zinc/65/01/12/495650112.db2.gz JIHWELSDTACSBN-FQEVSTJZSA-N 2 0 351.494 3.000 20 0 FGADRP C[N@H+](CCNC(=O)NCC1CC[NH+](Cc2ccccc2)CC1)C1CCCC1 ZINC000170923386 495653597 /nfs/dbraw/zinc/65/35/97/495653597.db2.gz HHCBOMHQSWCZIY-UHFFFAOYSA-N 2 0 372.557 3.072 20 0 FGADRP CC[C@H]([NH2+]CC1CC[NH+](CCO)CC1)c1ccc(Br)cc1 ZINC000150937544 495687125 /nfs/dbraw/zinc/68/71/25/495687125.db2.gz SJLXNEYITHGZFS-KRWDZBQOSA-N 2 0 355.320 3.194 20 0 FGADRP C[C@H](C[NH+]1CCCCC1)NC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000159251240 495693796 /nfs/dbraw/zinc/69/37/96/495693796.db2.gz ZLHWDQJKDDXGBX-LJQANCHMSA-N 2 0 357.542 3.279 20 0 FGADRP CN(c1ccccc1C[NH2+]C[C@](C)(O)c1cccs1)C1CC[NH+](C)CC1 ZINC000150971018 495698290 /nfs/dbraw/zinc/69/82/90/495698290.db2.gz YCQNYJPJJGRISL-NRFANRHFSA-N 2 0 373.566 3.276 20 0 FGADRP CCC[NH+]1CCC(N(C)C(=O)NCCCC[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000171040168 495699399 /nfs/dbraw/zinc/69/93/99/495699399.db2.gz WHLHWGHLWWUADA-GOSISDBHSA-N 2 0 352.567 3.014 20 0 FGADRP CN(c1ccccc1C[NH2+]C[C@H](CO)c1ccccc1)C1CC[NH+](C)CC1 ZINC000151088026 495733988 /nfs/dbraw/zinc/73/39/88/495733988.db2.gz ANRHFZPXNFEOGM-OAQYLSRUSA-N 2 0 367.537 3.083 20 0 FGADRP Clc1cccc(OCC[NH+]2CCC(OCC[NH+]3CCCC3)CC2)c1 ZINC000173949313 495759024 /nfs/dbraw/zinc/75/90/24/495759024.db2.gz ASZPZDVTDNMBOB-UHFFFAOYSA-N 2 0 352.906 3.296 20 0 FGADRP COc1ccc(OCCC[NH+]2CCC(OCC[NH+]3CCCC3)CC2)cc1 ZINC000173953853 495762541 /nfs/dbraw/zinc/76/25/41/495762541.db2.gz XNPOLXBPLGZFEN-UHFFFAOYSA-N 2 0 362.514 3.041 20 0 FGADRP COc1ccc([C@H](C)C[NH+]2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)cc1 ZINC000179909944 495779500 /nfs/dbraw/zinc/77/95/00/495779500.db2.gz AMRNAFJNAQEIOV-VAMGGRTRSA-N 2 0 359.558 3.289 20 0 FGADRP COc1ccc([C@H](C)C[NH+]2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)cc1 ZINC000179909908 495779776 /nfs/dbraw/zinc/77/97/76/495779776.db2.gz AMRNAFJNAQEIOV-AQNXPRMDSA-N 2 0 359.558 3.289 20 0 FGADRP C[C@H](C(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1)[C@@H]([NH3+])c1ccccc1 ZINC000577847557 505804030 /nfs/dbraw/zinc/80/40/30/505804030.db2.gz VGSDTTQIRRXXTF-XGHQBKJUSA-N 2 0 366.509 3.059 20 0 FGADRP O=C(c1cccc(C[NH+]2CCCC2)c1)N1CC[NH+](C2CCCCC2)CC1 ZINC000155030807 495809543 /nfs/dbraw/zinc/80/95/43/495809543.db2.gz JNVJWCZWPSZDML-UHFFFAOYSA-N 2 0 355.526 3.373 20 0 FGADRP Cc1nc(Cc2ccccc2)sc1[C@H](C)[NH2+][C@H](C)CN1CC[NH+](C)CC1 ZINC000155038201 495812448 /nfs/dbraw/zinc/81/24/48/495812448.db2.gz OWMMWFQUDJUTMD-SJORKVTESA-N 2 0 372.582 3.329 20 0 FGADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)N[C@H](C)C[NH+]1CCCCC1 ZINC000171305381 495813416 /nfs/dbraw/zinc/81/34/16/495813416.db2.gz SKCFUZNFKIEYSS-GOSISDBHSA-N 2 0 360.546 3.154 20 0 FGADRP C[N@@H+](Cc1ccccc1)CC1CC[NH+](C[C@@H](O)Cc2ccccc2)CC1 ZINC000171384549 495848636 /nfs/dbraw/zinc/84/86/36/495848636.db2.gz FJLVUXQJHRZESN-QHCPKHFHSA-N 2 0 352.522 3.434 20 0 FGADRP Cn1ccnc1[C@H]([NH2+]CCCC[NH+]1CCN(c2ccccc2)CC1)C1CC1 ZINC000183306414 495924224 /nfs/dbraw/zinc/92/42/24/495924224.db2.gz SBPNLCPZGYVRRT-OAQYLSRUSA-N 2 0 367.541 3.063 20 0 FGADRP CC[C@@H]([NH2+]CC1CC[NH+](CCO)CC1)c1ccccc1Br ZINC000151891495 495984153 /nfs/dbraw/zinc/98/41/53/495984153.db2.gz RPTHMJJZJVVYIE-QGZVFWFLSA-N 2 0 355.320 3.194 20 0 FGADRP CC(C)[NH+]1CCC([NH2+]C[C@H](CO)Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000180460186 496005027 /nfs/dbraw/zinc/00/50/27/496005027.db2.gz FQYFSRQSQBXQDS-MRXNPFEDSA-N 2 0 374.447 3.199 20 0 FGADRP C[NH+](C)Cc1cccc(C(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)c1 ZINC000155672884 496032634 /nfs/dbraw/zinc/03/26/34/496032634.db2.gz JFBBRJPVKVYUSS-OAQYLSRUSA-N 2 0 351.494 3.315 20 0 FGADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H](C)c2sc(C(C)(C)C)nc2C)CC1 ZINC000155696269 496039523 /nfs/dbraw/zinc/03/95/23/496039523.db2.gz QYVMZLFVNRAQBV-HUUCEWRRSA-N 2 0 352.592 3.426 20 0 FGADRP CC(C)c1ccc([C@@H]([NH3+])CNC(=O)N2CCC[N@@H+](C3CCCC3)CC2)cc1 ZINC000568966419 505820401 /nfs/dbraw/zinc/82/04/01/505820401.db2.gz MMSCJSBLNAOZAW-NRFANRHFSA-N 2 0 372.557 3.470 20 0 FGADRP CC(C)[NH+]1CCC(NC(=O)N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000174688014 496063001 /nfs/dbraw/zinc/06/30/01/496063001.db2.gz XXIAVKYBCBWFQZ-FQEVSTJZSA-N 2 0 372.557 3.023 20 0 FGADRP C[NH+](C)CC[C@H](NC(=O)NC1CC[NH+](C2CCCCC2)CC1)C(C)(C)C ZINC000177518714 496094397 /nfs/dbraw/zinc/09/43/97/496094397.db2.gz WEKYKCVJIMFZQH-IBGZPJMESA-N 2 0 366.594 3.449 20 0 FGADRP Brc1cncc(C[NH2+]CC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000183760995 496107703 /nfs/dbraw/zinc/10/77/03/496107703.db2.gz DPDJXJSRENJDFQ-UHFFFAOYSA-N 2 0 361.287 3.245 20 0 FGADRP C[C@@H](NCC(=O)NC12CC3CC(CC(C3)C1)C2)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000571840959 505824823 /nfs/dbraw/zinc/82/48/23/505824823.db2.gz BKJLLCMYNFNYRO-JNEKLRAESA-N 2 0 373.585 3.314 20 0 FGADRP CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC000183914226 496159008 /nfs/dbraw/zinc/15/90/08/496159008.db2.gz YMLGNGAEUSSFLZ-OAQYLSRUSA-N 2 0 359.558 3.380 20 0 FGADRP C[C@H](CC[NH2+][C@@H](C)c1ccc(-n2cnnn2)cc1)[N@H+](C)Cc1ccccc1 ZINC000156223735 496191490 /nfs/dbraw/zinc/19/14/90/496191490.db2.gz HTLQUSXUILEQOS-MSOLQXFVSA-N 2 0 364.497 3.224 20 0 FGADRP CC(C)N1CCC[C@@H]([NH2+]Cc2ccccc2C[NH+]2CCC(C)CC2)C1=O ZINC000174993241 496198541 /nfs/dbraw/zinc/19/85/41/496198541.db2.gz ZLHGTCRRLQKIOS-OAQYLSRUSA-N 2 0 357.542 3.408 20 0 FGADRP COc1ccc(C)cc1C1(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)CCOCC1 ZINC000152628134 496207388 /nfs/dbraw/zinc/20/73/88/496207388.db2.gz VKBAABLKMLLAGT-NLWGTHIKSA-N 2 0 360.542 3.370 20 0 FGADRP C[C@H]1C[C@H](NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)C[N@@H+]1Cc1ccccc1 ZINC000161629737 496211558 /nfs/dbraw/zinc/21/15/58/496211558.db2.gz WOALXMLFMNDIBY-WMZOPIPTSA-N 2 0 372.557 3.258 20 0 FGADRP CCc1nc(CN2CCC(C[NH2+][C@H]3CC[N@@H+](CC)C[C@@H]3C)CC2)cs1 ZINC000161776310 496236269 /nfs/dbraw/zinc/23/62/69/496236269.db2.gz IETMZUHPKHEASP-LPHOPBHVSA-N 2 0 364.603 3.237 20 0 FGADRP CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+]CCC[NH+]2CCC(C)CC2)cc1 ZINC000161782410 496237434 /nfs/dbraw/zinc/23/74/34/496237434.db2.gz WOVUDJBGPPPRLZ-QGZVFWFLSA-N 2 0 367.559 3.221 20 0 FGADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+]CCCc2nc3ccccc3n2C)C[C@@H]1C ZINC000161852461 496249979 /nfs/dbraw/zinc/24/99/79/496249979.db2.gz OGSVLEZWPCRWOE-YESZJQIVSA-N 2 0 357.498 3.463 20 0 FGADRP CC(C)[C@@H](Cc1ccccc1)[NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000187014232 496252312 /nfs/dbraw/zinc/25/23/12/496252312.db2.gz FRAKKSRBCYLBKS-OAQYLSRUSA-N 2 0 352.526 3.190 20 0 FGADRP O=C([C@@H]1CCC[N@H+](Cc2ccccc2)C1)N1CCC[NH+](C2CCCC2)CC1 ZINC000172418020 496289545 /nfs/dbraw/zinc/28/95/45/496289545.db2.gz RLZQDMZONDAMCR-OAQYLSRUSA-N 2 0 369.553 3.376 20 0 FGADRP Cc1cc(N2CCC([NH2+]C3CC[NH+](C4CCCCC4)CC3)CC2)nc(C)n1 ZINC000162224615 496316983 /nfs/dbraw/zinc/31/69/83/496316983.db2.gz ILJOQXAEUSZBLV-UHFFFAOYSA-N 2 0 371.573 3.449 20 0 FGADRP C[NH+](C)[C@@H](CNC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1)c1cccs1 ZINC000172506986 496321863 /nfs/dbraw/zinc/32/18/63/496321863.db2.gz URCCXQVLTCPMAV-SJORKVTESA-N 2 0 364.559 3.011 20 0 FGADRP Cc1nc2ccccc2n1CCCNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000175333330 496343823 /nfs/dbraw/zinc/34/38/23/496343823.db2.gz QLPCQKCQXUTHFR-AYHJJNSGSA-N 2 0 369.513 3.049 20 0 FGADRP Cc1ccc([C@@H](CNC(=O)N2CCC[N@@H+](C3CCCC3)CC2)[NH+](C)C)cc1 ZINC000172568869 496343897 /nfs/dbraw/zinc/34/38/97/496343897.db2.gz CZHRTGHEINWTDS-OAQYLSRUSA-N 2 0 372.557 3.258 20 0 FGADRP C[NH+](C)CCCC1CCN(C(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)CC1 ZINC000162841861 496420746 /nfs/dbraw/zinc/42/07/46/496420746.db2.gz OGEWKWCRZSLAFF-FQEVSTJZSA-N 2 0 364.578 3.014 20 0 FGADRP CC(C)[C@@H](CNC(=O)C[NH+]1CCC(CC[NH+](C)C)CC1)c1ccccc1 ZINC000172828437 496450865 /nfs/dbraw/zinc/45/08/65/496450865.db2.gz ZBTPLUFEYSCSFA-OAQYLSRUSA-N 2 0 359.558 3.206 20 0 FGADRP C[C@H](OC[C@H](O)C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1)c1ccc(Cl)cc1 ZINC000157357827 496461950 /nfs/dbraw/zinc/46/19/50/496461950.db2.gz JNNJXSVBLAIKHN-SQGPQFPESA-N 2 0 366.933 3.196 20 0 FGADRP C[C@H]([NH2+]C[C@H]1CCN(CC(F)(F)F)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000163092496 496462960 /nfs/dbraw/zinc/46/29/60/496462960.db2.gz CIEFSLRBNGQYIU-JKSUJKDBSA-N 2 0 373.463 3.162 20 0 FGADRP C[C@H](CCNC(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1)[NH+](C)Cc1ccccc1 ZINC000175640582 496477763 /nfs/dbraw/zinc/47/77/63/496477763.db2.gz IIXLNEVKIQAZAU-WSTZPKSXSA-N 2 0 360.546 3.021 20 0 FGADRP C[C@@H]1C[C@H](NC(=O)N(C)C[C@@H]2CCC[NH+](C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000175639401 496477959 /nfs/dbraw/zinc/47/79/59/496477959.db2.gz UKGPJZURCCXTCV-HMXCVIKNSA-N 2 0 372.557 3.023 20 0 FGADRP O[C@H](Cc1ccc(C(F)(F)F)cc1)C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000153546494 496493443 /nfs/dbraw/zinc/49/34/43/496493443.db2.gz HNDQDLCAOOIZNH-IEBWSBKVSA-N 2 0 370.459 3.417 20 0 FGADRP C[C@@H](C(=O)NC1CC[NH+](CCc2ccccc2)CC1)[C@H]([NH3+])c1ccccc1 ZINC000178688555 496541867 /nfs/dbraw/zinc/54/18/67/496541867.db2.gz DGDIAPSDFQPGGB-GCJKJVERSA-N 2 0 365.521 3.146 20 0 FGADRP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000569093450 505850604 /nfs/dbraw/zinc/85/06/04/505850604.db2.gz XFAXHANIGXEWTR-VCZJPHHKSA-N 2 0 350.466 3.268 20 0 FGADRP CC1CC[NH+](Cc2ccc(CNC(=O)c3conc3C(C)(C)[NH3+])cc2)CC1 ZINC000580843493 505851671 /nfs/dbraw/zinc/85/16/71/505851671.db2.gz GFPVRANBLKRXJI-UHFFFAOYSA-N 2 0 370.497 3.030 20 0 FGADRP C[C@@H]([NH2+]CCCN1CCC[N@H+](C)CC1)c1cc(Br)ccc1F ZINC000178778789 496567310 /nfs/dbraw/zinc/56/73/10/496567310.db2.gz YLWMHWOXKFRWAS-CQSZACIVSA-N 2 0 372.326 3.266 20 0 FGADRP COCC[N@H+](C)CCCN[C@H]1CCCOc2c(Br)cccc21 ZINC000153751726 496567612 /nfs/dbraw/zinc/56/76/12/496567612.db2.gz PGVZDNRBMARGAG-INIZCTEOSA-N 2 0 371.319 3.221 20 0 FGADRP CC[NH+](CC)C[C@@H]1CCN(C(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000164250865 496598678 /nfs/dbraw/zinc/59/86/78/496598678.db2.gz KXNDJZFGPDCKJS-NRFANRHFSA-N 2 0 371.569 3.479 20 0 FGADRP CC[C@H](C(=O)NCc1ccc(C[NH+](C)C)c(F)c1)[N@H+](C)Cc1ccccc1 ZINC000580865282 505855610 /nfs/dbraw/zinc/85/56/10/505855610.db2.gz RTAWSMNNOJHSAV-OAQYLSRUSA-N 2 0 371.500 3.414 20 0 FGADRP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]CCCCC[NH+]1CCCCC1 ZINC000164640028 496624986 /nfs/dbraw/zinc/62/49/86/496624986.db2.gz VHSRFKBZAGFBCL-HKBOAZHASA-N 3 0 351.579 3.122 20 0 FGADRP COc1cc([C@H](C)[NH2+]Cc2ccncc2OCCC[NH+](C)C)ccc1F ZINC000574788862 505856622 /nfs/dbraw/zinc/85/66/22/505856622.db2.gz LHQBGDXRYDYOPV-HNNXBMFYSA-N 2 0 361.461 3.411 20 0 FGADRP C[C@H](C[NH2+][C@@H](C)c1ccc(OCc2nccn2C)cc1)C[NH+]1CCCC1 ZINC000165287905 496655352 /nfs/dbraw/zinc/65/53/52/496655352.db2.gz WNXQLUMQMSAILT-MSOLQXFVSA-N 2 0 356.514 3.382 20 0 FGADRP CC[NH+](CC)Cc1cccc(C[NH2+][C@H]2CCCN(CC(F)(F)F)C2=O)c1 ZINC000158238388 496657899 /nfs/dbraw/zinc/65/78/99/496657899.db2.gz UHGIXKGNAHXNDE-KRWDZBQOSA-N 2 0 371.447 3.171 20 0 FGADRP Cc1cccc(N2CC[NH+](CCCC[NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)CC2)c1 ZINC000166077608 496677305 /nfs/dbraw/zinc/67/73/05/496677305.db2.gz SEDWLBGJQHWAOQ-JTHBVZDNSA-N 3 0 370.585 3.114 20 0 FGADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]C1CCN(Cc2ccc(F)c(F)c2)CC1 ZINC000166168333 496677780 /nfs/dbraw/zinc/67/77/80/496677780.db2.gz BNRNUWXKVZSLDK-SXGZJXTBSA-N 2 0 351.485 3.248 20 0 FGADRP COc1cc2[nH]c(CCC[NH2+][C@@H]3C[C@H](C)[N@H+](C)C[C@H]3C)cc2c(OC)c1 ZINC000166343192 496684801 /nfs/dbraw/zinc/68/48/01/496684801.db2.gz PRQKYXAOBLFQNG-ZRGWGRIASA-N 2 0 359.514 3.436 20 0 FGADRP Cc1nccn1CCCCNC(=O)Nc1cccc(-c2nccn2C)c1 ZINC000176106270 496685854 /nfs/dbraw/zinc/68/58/54/496685854.db2.gz PVHNDVIFUIRRQI-UHFFFAOYSA-N 2 0 352.442 3.194 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)N(C)CCC[NH+](C)C ZINC000185319633 496728711 /nfs/dbraw/zinc/72/87/11/496728711.db2.gz MJEAOTQUMPBRES-GOSISDBHSA-N 2 0 360.546 3.154 20 0 FGADRP COc1ccccc1[C@H](O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000268767943 496780274 /nfs/dbraw/zinc/78/02/74/496780274.db2.gz COFXEWPKBHMVES-JRGCBEDISA-N 2 0 354.494 3.229 20 0 FGADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(NC(N)=O)cc1 ZINC000268782518 496784081 /nfs/dbraw/zinc/78/40/81/496784081.db2.gz UNHOCCAWRWDCBU-OXJNMPFZSA-N 2 0 352.482 3.177 20 0 FGADRP C[C@H](C(=O)Nc1ccc(OC(F)F)cc1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000247123138 496785709 /nfs/dbraw/zinc/78/57/09/496785709.db2.gz AMTCPVIPTWDBMB-JKIFEVAISA-N 2 0 367.440 3.031 20 0 FGADRP CC[NH+]1CCC([NH2+]C[C@H]2CCN(c3ccc(Br)cc3)C2)CC1 ZINC000268803987 496790715 /nfs/dbraw/zinc/79/07/15/496790715.db2.gz LIRFJQCRCRZKLQ-OAHLLOKOSA-N 2 0 366.347 3.349 20 0 FGADRP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)N[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000273405752 496797117 /nfs/dbraw/zinc/79/71/17/496797117.db2.gz HPHRKVBOYJAQKQ-LVCYWYKZSA-N 2 0 372.557 3.021 20 0 FGADRP C[C@H](CNC(=O)c1ccccc1CC1CC[NH2+]CC1)[N@@H+]1CCCC[C@@H]1C ZINC000572003947 505867330 /nfs/dbraw/zinc/86/73/30/505867330.db2.gz SKFVRWUXVBYAOU-ZWKOTPCHSA-N 2 0 357.542 3.221 20 0 FGADRP Cc1ccccc1C[C@@H](CO)[NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000191564315 496813755 /nfs/dbraw/zinc/81/37/55/496813755.db2.gz FXVHZOPWDVHASO-RXVVDRJESA-N 2 0 356.510 3.190 20 0 FGADRP CC(C)n1cc([C@@H](C)[NH2+]CCCN2CC[N@H+](C)C[C@H]2c2ccccc2)cn1 ZINC000247254925 496816758 /nfs/dbraw/zinc/81/67/58/496816758.db2.gz ZZJZGTAUJHMFDN-KNQAVFIVSA-N 2 0 369.557 3.493 20 0 FGADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)CSCc2cn3cc(C)ccc3n2)[C@@H](C)C1 ZINC000247259787 496818300 /nfs/dbraw/zinc/81/83/00/496818300.db2.gz DYTIBYFCRNYHIX-FUHWJXTLSA-N 2 0 374.554 3.065 20 0 FGADRP CC[C@@H](C(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1)[N@H+](C)Cc1ccccc1 ZINC000574850103 505868093 /nfs/dbraw/zinc/86/80/93/505868093.db2.gz HBDAZBRCWQTNTA-SFTDATJTSA-N 2 0 357.542 3.087 20 0 FGADRP C[C@@H]([NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000195134400 496830590 /nfs/dbraw/zinc/83/05/90/496830590.db2.gz PEICGTNEGZFYNA-MJGOQNOKSA-N 2 0 372.534 3.263 20 0 FGADRP Cc1cccc(C[C@H](CO)[NH2+][C@H](C)c2ccc(OCC[NH+](C)C)cc2)c1 ZINC000191613643 496832878 /nfs/dbraw/zinc/83/28/78/496832878.db2.gz OXQKIYZHSANWIA-WIYYLYMNSA-N 2 0 356.510 3.190 20 0 FGADRP CC[N@@H+]1CC[C@@H](N(C)CC(=O)N2CCC(Cc3ccccc3)CC2)[C@@H](C)C1 ZINC000247340491 496838789 /nfs/dbraw/zinc/83/87/89/496838789.db2.gz ZUOPPJLKNXOZMF-SIKLNZKXSA-N 2 0 371.569 3.130 20 0 FGADRP O[C@H](CO[C@H]1CCCc2ccccc21)C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000247641895 496898041 /nfs/dbraw/zinc/89/80/41/496898041.db2.gz SZYQTYWJBZBJHU-RRPUWOKSSA-N 2 0 372.553 3.249 20 0 FGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC000247734508 496910707 /nfs/dbraw/zinc/91/07/07/496910707.db2.gz VKPWCVKGZJPUFG-OTYNDTSQSA-N 2 0 355.526 3.173 20 0 FGADRP C[C@@H](CC(=O)N(CC[NH+](C)C)Cc1cccc(Cl)c1)[C@H]1CCC[NH2+]C1 ZINC000574875321 505873623 /nfs/dbraw/zinc/87/36/23/505873623.db2.gz XUXUYUKMPSXWOA-WMZOPIPTSA-N 2 0 365.949 3.256 20 0 FGADRP C[C@@H]1CN(Cc2ccccn2)CC[C@H]1[NH2+]C[C@H](c1ccccc1)N(C)C ZINC000247977961 496937405 /nfs/dbraw/zinc/93/74/05/496937405.db2.gz LSKQQWZAQDHPPH-STZQEDGTSA-N 2 0 352.526 3.185 20 0 FGADRP C[N@@H+]1CCC[C@@H]2C[NH+](C[C@H](O)COc3ccc(Cl)cc3Cl)CC[C@H]21 ZINC000248025638 496943474 /nfs/dbraw/zinc/94/34/74/496943474.db2.gz OTIRCGFGLOGVFS-UKPHBRMFSA-N 2 0 373.324 3.149 20 0 FGADRP C[C@H]1CCCC[N@@H+]1CCCNC(=O)NCCC[NH+](C)C1CCCCC1 ZINC000195619876 496954784 /nfs/dbraw/zinc/95/47/84/496954784.db2.gz CZPFYYDYLORWMV-SFHVURJKSA-N 2 0 352.567 3.205 20 0 FGADRP Cc1cccc(NC[C@H]2CC[N@@H+]([C@@H]3CCc4ccccc4NC3=O)C2)[nH+]1 ZINC000192034487 496969355 /nfs/dbraw/zinc/96/93/55/496969355.db2.gz HEQKBBJHNWOEGI-VQIMIIECSA-N 2 0 350.466 3.077 20 0 FGADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+][C@H]1CCN(c2ccccc2OC(F)F)C1 ZINC000248217852 496973500 /nfs/dbraw/zinc/97/35/00/496973500.db2.gz ZZEAKHHGVUMLDS-WCVJEAGWSA-N 2 0 353.457 3.185 20 0 FGADRP C[NH+](C)Cc1ccc(C[NH2+]Cc2cnn(Cc3ccc(F)cc3)c2)cc1 ZINC000189005253 496976212 /nfs/dbraw/zinc/97/62/12/496976212.db2.gz XSMOLFIJDHLZAW-UHFFFAOYSA-N 2 0 352.457 3.422 20 0 FGADRP C[C@H](NC(=O)[C@H]1CCC[N@@H+]1Cc1ccccc1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000248390680 496991705 /nfs/dbraw/zinc/99/17/05/496991705.db2.gz BPRQGRPNHCLXMJ-RCZSKKKRSA-N 2 0 369.553 3.420 20 0 FGADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+][C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1 ZINC000569211718 505879215 /nfs/dbraw/zinc/87/92/15/505879215.db2.gz BDJXCLWHEFDKNI-IAOVAPTHSA-N 2 0 357.420 3.414 20 0 FGADRP Cc1cccn2c(=O)cc(CN3CCC[C@H](C[N@H+]4CCCC[C@@H]4C)C3)nc12 ZINC000265006897 497030059 /nfs/dbraw/zinc/03/00/59/497030059.db2.gz FCRJVVYWKQIOCN-OALUTQOASA-N 2 0 368.525 3.089 20 0 FGADRP C[C@H]([NH2+]C[C@@H](O)COc1ccc(Cl)cc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248554118 497037153 /nfs/dbraw/zinc/03/71/53/497037153.db2.gz HPHGWECGPKZWOY-TXPKVOOTSA-N 2 0 366.933 3.322 20 0 FGADRP COC[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1ccc(Cl)cc1 ZINC000248655495 497074207 /nfs/dbraw/zinc/07/42/07/497074207.db2.gz BLOCTZJDGSQMTG-RTWAWAEBSA-N 2 0 374.912 3.384 20 0 FGADRP C[N@@H+]1CCC[C@@H]2C[NH+](CCOc3cccc(Br)c3)CC[C@H]21 ZINC000227343789 497087359 /nfs/dbraw/zinc/08/73/59/497087359.db2.gz CUYIHLDVASZGRX-RHSMWYFYSA-N 2 0 353.304 3.244 20 0 FGADRP CC[N@H+](C)[C@H](C(=O)NC[C@H]1CC[NH+](Cc2ccccc2)C1)c1ccccc1 ZINC000248755629 497098952 /nfs/dbraw/zinc/09/89/52/497098952.db2.gz PKMFIHYYVIYGCJ-IRLDBZIGSA-N 2 0 365.521 3.318 20 0 FGADRP C[C@@]12CCC[N@@H+]1C[C@@H](c1noc(-c3ccc(C[NH+]4CCCC4)cc3)n1)OC2 ZINC000578200225 505884927 /nfs/dbraw/zinc/88/49/27/505884927.db2.gz LADQFUNPOAICBC-RXVVDRJESA-N 2 0 368.481 3.258 20 0 FGADRP CCCC[N@H+](CC)Cc1cccc(CNC(=O)C[C@@H]2CSCC[NH2+]2)c1 ZINC000236727109 497138552 /nfs/dbraw/zinc/13/85/52/497138552.db2.gz YTPAVZJTZIBVFH-LJQANCHMSA-N 2 0 363.571 3.020 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cccc(OC)c1 ZINC000236820803 497151613 /nfs/dbraw/zinc/15/16/13/497151613.db2.gz MCSWUSLOBFIMEQ-VZKPYBMVSA-N 2 0 373.541 3.115 20 0 FGADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@H](C[NH+](C)Cc2ccccc2)C(C)C)C1 ZINC000249042950 497153718 /nfs/dbraw/zinc/15/37/18/497153718.db2.gz VJZUVCGRUWAYAB-LEWJYISDSA-N 2 0 374.573 3.126 20 0 FGADRP CC[NH+](CC)CCOc1ccccc1NC(=O)C[C@@H](C)C1CC[NH2+]CC1 ZINC000236876110 497161259 /nfs/dbraw/zinc/16/12/59/497161259.db2.gz QBJZCEFWVCCTSH-QGZVFWFLSA-N 2 0 361.530 3.372 20 0 FGADRP C[C@@H]([NH2+]Cc1ccc2c(c1)sc(=O)n2C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000192638041 497172222 /nfs/dbraw/zinc/17/22/22/497172222.db2.gz VZWLJPSQNAYGCT-ZBFHGGJFSA-N 2 0 359.539 3.343 20 0 FGADRP CCN(C(=O)c1ccc(C[NH3+])cc1)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000237035029 497182883 /nfs/dbraw/zinc/18/28/83/497182883.db2.gz MJTSUHQGXQXPFH-LAUBAEHRSA-N 2 0 351.494 3.443 20 0 FGADRP CC(C)OCCN1CCC([NH2+][C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000274885455 497190427 /nfs/dbraw/zinc/19/04/27/497190427.db2.gz IIVNBYUVVROVBC-IFMALSPDSA-N 2 0 373.585 3.376 20 0 FGADRP C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)CC1 ZINC000237193607 497203112 /nfs/dbraw/zinc/20/31/12/497203112.db2.gz BVDUDOGCLOJXCP-FKBYEOEOSA-N 2 0 369.553 3.278 20 0 FGADRP C[C@H](CC(=O)N1CCCCCC1)[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000192927554 497248349 /nfs/dbraw/zinc/24/83/49/497248349.db2.gz RNQKNHWVPLQKAX-CTNGQTDRSA-N 2 0 357.542 3.279 20 0 FGADRP FC(F)(F)CN1CCC([NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000192931180 497251436 /nfs/dbraw/zinc/25/14/36/497251436.db2.gz SJSCARXEKPUUJD-QGZVFWFLSA-N 2 0 355.448 3.125 20 0 FGADRP C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)[C@@H]([NH3+])Cc3ccccc3)cc2)C1 ZINC000237673910 497274264 /nfs/dbraw/zinc/27/42/64/497274264.db2.gz QGILKMIGPBSXKH-AVRDEDQJSA-N 2 0 365.521 3.105 20 0 FGADRP [NH3+]C[C@H](C(=O)NCc1cccc(C[NH+]2CCCCCC2)c1)c1ccccc1 ZINC000237827303 497298516 /nfs/dbraw/zinc/29/85/16/497298516.db2.gz WLOOVZBZHOVEFP-QFIPXVFZSA-N 2 0 365.521 3.421 20 0 FGADRP O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000237888884 497308168 /nfs/dbraw/zinc/30/81/68/497308168.db2.gz JFWXWIGJXNCUEF-SEJPIABJSA-N 2 0 355.526 3.209 20 0 FGADRP C[C@@H](NC(=O)N(C)CC1([NH+](C)C)CCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000275392082 497311169 /nfs/dbraw/zinc/31/11/69/497311169.db2.gz COSIKWBHCREUHU-QUCCMNQESA-N 2 0 372.557 3.023 20 0 FGADRP [NH3+][C@@H](CCC(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000237947537 497318202 /nfs/dbraw/zinc/31/82/02/497318202.db2.gz MSBBOIWGOFZJDD-RTWAWAEBSA-N 2 0 351.494 3.247 20 0 FGADRP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+][C@H](c1ccccc1)c1ccc(F)cn1 ZINC000253028631 497322775 /nfs/dbraw/zinc/32/27/75/497322775.db2.gz HZVRXMSSSKQVAH-PZJWPPBQSA-N 2 0 357.473 3.137 20 0 FGADRP O=C(NCc1cccc(C[NH+]2CCCCCC2)c1)[C@@H]1CC12CC[NH2+]CC2 ZINC000238074249 497335932 /nfs/dbraw/zinc/33/59/32/497335932.db2.gz NZIYJEGUDPMGKB-FQEVSTJZSA-N 2 0 355.526 3.069 20 0 FGADRP CCOC(=O)N1CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000193300301 497343948 /nfs/dbraw/zinc/34/39/48/497343948.db2.gz GTSPNQWSAKCTJB-UMQXSMKFSA-N 2 0 357.498 3.002 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)CC[C@@H](C)[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000193305263 497345217 /nfs/dbraw/zinc/34/52/17/497345217.db2.gz FVZTYQAYYQOMFV-CZUORRHYSA-N 2 0 359.436 3.332 20 0 FGADRP O=C(CCc1ncc[nH]1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000279142270 497346682 /nfs/dbraw/zinc/34/66/82/497346682.db2.gz GIJQZLAICXCEQF-UHFFFAOYSA-N 2 0 374.488 3.276 20 0 FGADRP C[C@H](C(=O)NC1CC[NH+](CCc2ccccc2)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000245200840 497375324 /nfs/dbraw/zinc/37/53/24/497375324.db2.gz DESWCSMRNKIGFZ-CEXWTWQISA-N 2 0 357.542 3.071 20 0 FGADRP CC1CC[NH+](Cc2cccc(CNC(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)c2)CC1 ZINC000279251209 497382506 /nfs/dbraw/zinc/38/25/06/497382506.db2.gz SXGCXWWJPIMTSO-RXVVDRJESA-N 2 0 357.542 3.265 20 0 FGADRP C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCCn3ccnc32)[C@H]1c1cccs1 ZINC000245416720 497394348 /nfs/dbraw/zinc/39/43/48/497394348.db2.gz IPJXNIOSEKRZGD-VYDXJSESSA-N 2 0 358.511 3.021 20 0 FGADRP C[NH+](C)CCc1ccccc1NC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000275709838 497410611 /nfs/dbraw/zinc/41/06/11/497410611.db2.gz UNOIDRIYRVZBHI-NQIIRXRSSA-N 2 0 370.541 3.271 20 0 FGADRP C[C@H]1C[C@@H](C(=O)NCc2ccccc2C[NH+]2CCCCCC2)CC[N@@H+]1C ZINC000279459049 497445415 /nfs/dbraw/zinc/44/54/15/497445415.db2.gz OSSXOWMDIGPDPP-OALUTQOASA-N 2 0 357.542 3.409 20 0 FGADRP Cc1ccccc1Cc1nnc(CN2CC[C@H](C)[C@@H](n3ccnc3)C2)o1 ZINC000245560299 497456987 /nfs/dbraw/zinc/45/69/87/497456987.db2.gz BTDGYRWDGHJMSN-WMZOPIPTSA-N 2 0 351.454 3.248 20 0 FGADRP C[C@H](c1ccc2ccccc2c1)[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000261934866 497479168 /nfs/dbraw/zinc/47/91/68/497479168.db2.gz WQRJGLUOWDDLCU-KGVIQGDOSA-N 2 0 365.521 3.481 20 0 FGADRP C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+]CC1=CC[N@H+](C)CC1 ZINC000271892437 497481235 /nfs/dbraw/zinc/48/12/35/497481235.db2.gz SFVAKBJTRCANNM-ZDUSSCGKSA-N 2 0 366.303 3.018 20 0 FGADRP CC[N@@H+]1CC[C@H](Nc2cccc(N3CC[NH+](CC4CC4)CC3)c2)[C@@H](C)C1 ZINC000245652733 497490019 /nfs/dbraw/zinc/49/00/19/497490019.db2.gz BUACBRLMAJXVIQ-AVRDEDQJSA-N 2 0 356.558 3.361 20 0 FGADRP C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]CCN1CC=CCC1 ZINC000279631626 497492112 /nfs/dbraw/zinc/49/21/12/497492112.db2.gz BYBWOYSTFOFTQK-AWEZNQCLSA-N 2 0 355.404 3.274 20 0 FGADRP CCOC(=O)N1CCC([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC000245665617 497494472 /nfs/dbraw/zinc/49/44/72/497494472.db2.gz GOZAPRZHRYXTST-MZADTFQBSA-N 2 0 371.525 3.393 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000193840843 497498242 /nfs/dbraw/zinc/49/82/42/497498242.db2.gz ZMCLLGCLWFQMFR-QGZVFWFLSA-N 2 0 352.567 3.203 20 0 FGADRP CN(C(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+])[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000262177507 497519875 /nfs/dbraw/zinc/51/98/75/497519875.db2.gz BGBXUTXPCMTGPR-HKHIRDCPSA-N 2 0 369.553 3.263 20 0 FGADRP Cc1cc(Br)cn2cc(CC[NH2+]Cc3cnccc3C)nc12 ZINC000279802671 497546574 /nfs/dbraw/zinc/54/65/74/497546574.db2.gz DNLGJQTZHJGBFP-UHFFFAOYSA-N 2 0 359.271 3.441 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)[C@H](C)C1C[NH2+]C1)c1ccc(C(F)(F)F)cc1 ZINC000262378328 497546936 /nfs/dbraw/zinc/54/69/36/497546936.db2.gz MRIOSSFNYYZOPT-DYVFJYSZSA-N 2 0 371.447 3.060 20 0 FGADRP CN(c1ccccc1C[N@H+](C)C[C@H]1CCCC[C@@H]1O)C1CC[NH+](C)CC1 ZINC000245923957 497572370 /nfs/dbraw/zinc/57/23/70/497572370.db2.gz HJUBYRLHBXQXTD-KNQAVFIVSA-N 2 0 359.558 3.200 20 0 FGADRP C[NH+](C)CCc1ccccc1NC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000276453236 497578203 /nfs/dbraw/zinc/57/82/03/497578203.db2.gz LXJFZBUIBZDMHA-RTWAWAEBSA-N 2 0 366.509 3.358 20 0 FGADRP Cc1ccc([C@H]([NH3+])C(=O)NCC2CC[NH+](Cc3cccs3)CC2)cc1 ZINC000262612352 497583104 /nfs/dbraw/zinc/58/31/04/497583104.db2.gz CBIANDJWUSMNPK-IBGZPJMESA-N 2 0 357.523 3.085 20 0 FGADRP [NH3+]Cc1ccc(-c2noc([C@@H]3C[NH2+]C[C@H]3c3ccc(Cl)cc3)n2)cc1 ZINC000578327195 505916127 /nfs/dbraw/zinc/91/61/27/505916127.db2.gz ULSJMOYTOVYYFA-DLBZAZTESA-N 2 0 354.841 3.319 20 0 FGADRP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+]1CC[C@@H](C)[C@H](C)C1 ZINC000245967430 497587615 /nfs/dbraw/zinc/58/76/15/497587615.db2.gz VSXAKJSMKGCLNO-QRVBRYPASA-N 2 0 357.542 3.134 20 0 FGADRP C[C@H](C(=O)Nc1ccccc1NC1CC[NH+](C)CC1)[C@H]([NH3+])c1ccccc1 ZINC000262644803 497589361 /nfs/dbraw/zinc/58/93/61/497589361.db2.gz NEKRLOBZYJXFNF-KKSFZXQISA-N 2 0 366.509 3.467 20 0 FGADRP C[C@@H](CCNC(=O)[C@@H](C)[C@H]([NH3+])c1ccccc1)[N@H+](C)Cc1ccccc1 ZINC000262649654 497590960 /nfs/dbraw/zinc/59/09/60/497590960.db2.gz QERQZIWDJLMTIF-WFXMLNOXSA-N 2 0 353.510 3.349 20 0 FGADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)[C@@H](C)[C@H]([NH3+])c1ccccc1 ZINC000262659993 497594399 /nfs/dbraw/zinc/59/43/99/497594399.db2.gz FTAQLOHHQOOXHO-UWJYYQICSA-N 2 0 353.510 3.479 20 0 FGADRP C[C@@H](CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC000262670379 497596244 /nfs/dbraw/zinc/59/62/44/497596244.db2.gz NOMLEAVQFRNQKY-CBANROCLSA-N 2 0 369.553 3.324 20 0 FGADRP Cc1ccc([C@@H]([NH3+])C(=O)NC2CC[NH+](Cc3ccccc3C)CC2)cc1 ZINC000262676287 497597212 /nfs/dbraw/zinc/59/72/12/497597212.db2.gz UFJPGYMXPZKKAE-OAQYLSRUSA-N 2 0 351.494 3.084 20 0 FGADRP C[C@H](CC(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1)[C@H]1CCC[NH2+]C1 ZINC000262684284 497599859 /nfs/dbraw/zinc/59/98/59/497599859.db2.gz ZTVAHEAKURNAJS-GGPKGHCWSA-N 2 0 357.542 3.354 20 0 FGADRP C[C@@H](NC(=O)N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1)C(C)(C)C[NH+](C)C ZINC000246123906 497629738 /nfs/dbraw/zinc/62/97/38/497629738.db2.gz AIWXBHIFGAKDPI-RBUKOAKNSA-N 2 0 374.573 3.269 20 0 FGADRP C[C@@H](C(=O)Nc1ccc(OC(F)F)cc1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246171121 497647164 /nfs/dbraw/zinc/64/71/64/497647164.db2.gz JDWRHAMBORTEMF-GJZGRUSLSA-N 2 0 367.440 3.033 20 0 FGADRP CC(C)[N@@H+]1[C@@H]2CC[C@H]1CN(C(=O)NCCCC[NH+]1CCCC[C@@H]1C)CC2 ZINC000246183341 497650447 /nfs/dbraw/zinc/65/04/47/497650447.db2.gz LXKTUHOMZWBNJY-ZCNNSNEGSA-N 2 0 364.578 3.298 20 0 FGADRP Cc1ccc([C@H](CNC(=O)N(C)[C@H]2CC[N@@H+](C)C[C@H]2C)[NH+]2CCCC2)cc1 ZINC000268042117 497666370 /nfs/dbraw/zinc/66/63/70/497666370.db2.gz YNHUBPCPPRHFJE-GIVPXCGWSA-N 2 0 372.557 3.114 20 0 FGADRP C(C[NH+]1CCCC1)OC1CC[NH+](C[C@@H]2CCC3(CCCCC3)O2)CC1 ZINC000190977536 497669427 /nfs/dbraw/zinc/66/94/27/497669427.db2.gz SNXYEKASHISKBY-FQEVSTJZSA-N 2 0 350.547 3.445 20 0 FGADRP C[C@H](C(=O)Nc1ccc(C(F)(F)F)cc1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246241134 497671785 /nfs/dbraw/zinc/67/17/85/497671785.db2.gz UPPRELOCWMKCKD-CABCVRRESA-N 2 0 369.431 3.450 20 0 FGADRP CN(C)CC[NH+]1CCC(C[NH2+]C2CC(c3cc(F)cc(F)c3)C2)CC1 ZINC000581158578 505922122 /nfs/dbraw/zinc/92/21/22/505922122.db2.gz XOTIEEDZRDUNLY-UHFFFAOYSA-N 2 0 351.485 3.074 20 0 FGADRP CC[NH+]1CCC([NH2+]Cc2cccc(-c3nc(C(=O)OC)cs3)c2)CC1 ZINC000276922632 497689314 /nfs/dbraw/zinc/68/93/14/497689314.db2.gz QZHPHVSOAXGTPJ-UHFFFAOYSA-N 2 0 359.495 3.171 20 0 FGADRP COc1cccc2c1CC[C@H]2[NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000272730843 497714129 /nfs/dbraw/zinc/71/41/29/497714129.db2.gz INJUFDADSDQUPT-WIYYLYMNSA-N 2 0 352.478 3.039 20 0 FGADRP FC(F)(F)CCN1CCC([NH2+]CCCn2cnc3ccccc32)CC1 ZINC000272736227 497715590 /nfs/dbraw/zinc/71/55/90/497715590.db2.gz QAVHVZOMHBYEHM-UHFFFAOYSA-N 2 0 354.420 3.433 20 0 FGADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000246410174 497723803 /nfs/dbraw/zinc/72/38/03/497723803.db2.gz FFRNQGNKPPUMRO-GIVPXCGWSA-N 2 0 372.557 3.023 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NCc2ccccc2C[NH+](C)C(C)C)[C@@H](C)C1 ZINC000246410205 497724517 /nfs/dbraw/zinc/72/45/17/497724517.db2.gz KWUVHFNCXDPVRN-RXVVDRJESA-N 2 0 374.573 3.399 20 0 FGADRP C[C@H](C[NH+]1CCCCC1)NC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000246442738 497736507 /nfs/dbraw/zinc/73/65/07/497736507.db2.gz IACXPCXCHFMIQT-SBHAEUEKSA-N 2 0 372.557 3.213 20 0 FGADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[NH+](Cc2cccc(F)c2)C1 ZINC000246462542 497742210 /nfs/dbraw/zinc/74/22/10/497742210.db2.gz NOXZZDLCAVCFOK-TYPHKJRUSA-N 2 0 373.516 3.123 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)[C@@H]1CCCC[C@@]1(C)[NH3+])c1cccc(OC)c1 ZINC000263262182 497744342 /nfs/dbraw/zinc/74/43/42/497744342.db2.gz RCEQPADPNANEHG-QKNQBKEWSA-N 2 0 361.530 3.102 20 0 FGADRP Cc1ccoc1C(=O)NCCC[NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272853207 497745261 /nfs/dbraw/zinc/74/52/61/497745261.db2.gz SWVXKWLQWPZPCV-QUCCMNQESA-N 2 0 369.509 3.208 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NCC(C)(C)[NH2+][C@H](C)c2ccccc2)[C@@H](C)C1 ZINC000246522984 497762501 /nfs/dbraw/zinc/76/25/01/497762501.db2.gz VBRQDOJYBZFBMD-NSHGMRRFSA-N 2 0 374.573 3.488 20 0 FGADRP CN1CCC([NH+]2CCC(NC(=O)c3ccc4sccc4c3)CC2)CC1 ZINC000268516970 497770626 /nfs/dbraw/zinc/77/06/26/497770626.db2.gz UASZIJFMVMRFLJ-UHFFFAOYSA-N 2 0 357.523 3.190 20 0 FGADRP C[NH+](C)[C@@H]1CCCN(Cc2csc(-c3ccc4c(c3)OCO4)n2)CC1 ZINC000277197914 497772480 /nfs/dbraw/zinc/77/24/80/497772480.db2.gz MIJKLLHVEGFHQG-MRXNPFEDSA-N 2 0 359.495 3.455 20 0 FGADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)NCc2ccccc2C[NH+]2CCCC2)[C@@H](C)C1 ZINC000246570637 497778060 /nfs/dbraw/zinc/77/80/60/497778060.db2.gz YNLMKFFXGKSTJT-GHTZIAJQSA-N 2 0 372.557 3.154 20 0 FGADRP O=C([C@H]1CCC[N@@H+]1Cc1ccccc1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000246704590 497801945 /nfs/dbraw/zinc/80/19/45/497801945.db2.gz RRHSYSAYOPYLRA-NHCUHLMSSA-N 2 0 355.526 3.128 20 0 FGADRP COc1cc(-c2nc(CN3CC[C@@H]4[C@@H](CCC[N@@H+]4C)C3)cs2)ccc1O ZINC000246752317 497808013 /nfs/dbraw/zinc/80/80/13/497808013.db2.gz HHANRZRVIIBMNZ-DOTOQJQBSA-N 2 0 373.522 3.440 20 0 FGADRP CC[NH+]1CCC(CC[NH2+]C[C@H](O)CO[C@H](C)c2ccc(Cl)cc2)CC1 ZINC000578435518 505939209 /nfs/dbraw/zinc/93/92/09/505939209.db2.gz FYGQRFCMFIWOLN-UZLBHIALSA-N 2 0 368.949 3.490 20 0 FGADRP C[C@@H](C[NH+]1CCC(C[NH+]2CCN(C)CC2)CC1)c1cc(F)cc(F)c1 ZINC000296009572 497889880 /nfs/dbraw/zinc/88/98/80/497889880.db2.gz LOTAOOVJBKJCCS-INIZCTEOSA-N 2 0 351.485 3.028 20 0 FGADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H](C[C@@H]1CCOC1)c1ccc(F)cc1 ZINC000292130270 497890490 /nfs/dbraw/zinc/89/04/90/497890490.db2.gz LMKHXCYQICROED-PWIZWCRZSA-N 2 0 352.494 3.240 20 0 FGADRP CN1C(=O)CCc2cc(C[NH2+]C[C@@H]3CC[N@H+](C)[C@H]3c3cccs3)ccc21 ZINC000364311392 497892485 /nfs/dbraw/zinc/89/24/85/497892485.db2.gz BLLQXOKITLVMMI-LAUBAEHRSA-N 2 0 369.534 3.440 20 0 FGADRP C[C@H]([NH2+]CC1CCN(c2cc[nH+]cc2)CC1)c1ccc(C(=O)N(C)C)cc1 ZINC000292175875 497910644 /nfs/dbraw/zinc/91/06/44/497910644.db2.gz OILVAIDENQFUDB-KRWDZBQOSA-N 2 0 366.509 3.351 20 0 FGADRP C[C@@H]1CN(C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)CC[NH+](C2CCC2)C1 ZINC000292281347 497952267 /nfs/dbraw/zinc/95/22/67/497952267.db2.gz LMRQTBDXHCLHKK-OFNKIYASSA-N 2 0 371.569 3.084 20 0 FGADRP C[C@H](C[NH2+][C@@H](C)Cc1ccccc1C(F)(F)F)CN1CC[NH+](C)CC1 ZINC000280947085 497961635 /nfs/dbraw/zinc/96/16/35/497961635.db2.gz SXEBQAUSMICGFY-CVEARBPZSA-N 2 0 357.464 3.110 20 0 FGADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000296247531 497969509 /nfs/dbraw/zinc/96/95/09/497969509.db2.gz HEGXIHMDEIFCIZ-UHFFFAOYSA-N 2 0 372.557 3.343 20 0 FGADRP C1CC1[NH+]1CCC(c2nc([C@H]3CN(C4CCCCC4)CCO3)no2)CC1 ZINC000350212401 498059463 /nfs/dbraw/zinc/05/94/63/498059463.db2.gz NNGQJUZAJPGSOL-GOSISDBHSA-N 2 0 360.502 3.117 20 0 FGADRP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N1CC[C@H](C)[NH+](Cc2ccccc2)CC1 ZINC000572451960 505972008 /nfs/dbraw/zinc/97/20/08/505972008.db2.gz PRENYXAHFOVMCX-MOPGFXCFSA-N 2 0 360.546 3.021 20 0 FGADRP c1coc(-c2nnc(CN3CCN(c4cc[nH+]c5ccccc54)CC3)o2)c1 ZINC000289288827 498091603 /nfs/dbraw/zinc/09/16/03/498091603.db2.gz GYCUUWCJLVDMBN-UHFFFAOYSA-N 2 0 361.405 3.200 20 0 FGADRP O[C@@H](C[NH2+]CC1CC[NH+](C2CC2)CC1)COc1cc(Cl)ccc1Cl ZINC000575742258 505995496 /nfs/dbraw/zinc/99/54/96/505995496.db2.gz BGICRNANXNRYAM-INIZCTEOSA-N 2 0 373.324 3.197 20 0 FGADRP C[C@@H](c1ccc(F)cc1)N1CC[C@H]([NH+]2CCC(c3ncc[nH]3)CC2)C1=O ZINC000292930876 498200298 /nfs/dbraw/zinc/20/02/98/498200298.db2.gz YZIXWSQUUZZWHS-KSSFIOAISA-N 2 0 356.445 3.090 20 0 FGADRP COc1cc(CN2CC[C@H]3CC[N@H+](C)C[C@@H]32)ccc1OCc1ccncc1 ZINC000359905196 498227748 /nfs/dbraw/zinc/22/77/48/498227748.db2.gz VEHPRQMHCNPWFH-UXHICEINSA-N 2 0 367.493 3.195 20 0 FGADRP CS(=O)(=O)c1cccc(Cl)c1CNCCCCC[NH+]1CCCC1 ZINC000293014662 498234554 /nfs/dbraw/zinc/23/45/54/498234554.db2.gz OIVBZKSJRLZOGI-UHFFFAOYSA-N 2 0 358.935 3.099 20 0 FGADRP COC[C@]1(C)CC[NH+](Cc2ccccc2C[N@H+]2CC[C@@](C)(COC)C2)C1 ZINC000296915484 498250401 /nfs/dbraw/zinc/25/04/01/498250401.db2.gz WMSMEDNKZVBMNH-FGZHOGPDSA-N 2 0 360.542 3.403 20 0 FGADRP [NH3+]C[C@@H](Cc1ccccc1)[C@@H]1CCCCN1C(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000365003285 498250835 /nfs/dbraw/zinc/25/08/35/498250835.db2.gz USKSBDIFCIVJRE-RTGPKZOTSA-N 2 0 369.553 3.106 20 0 FGADRP CC(C)[NH+]1CCN(CCC[NH2+][C@H](C)c2ccc(-n3cccn3)c(F)c2)CC1 ZINC000293087914 498263071 /nfs/dbraw/zinc/26/30/71/498263071.db2.gz WUTSDSGEBZNDNO-GOSISDBHSA-N 2 0 373.520 3.078 20 0 FGADRP NC(=O)C1CCC([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)CC1 ZINC000578725710 506006085 /nfs/dbraw/zinc/00/60/85/506006085.db2.gz QUQUNOBIHXVNQA-BFIYSBSQSA-N 2 0 355.526 3.063 20 0 FGADRP CC(C)(C)OC(=O)Nc1ncc(C[NH2+]CCCNc2ccccn2)s1 ZINC000282124902 498391319 /nfs/dbraw/zinc/39/13/19/498391319.db2.gz VAGOOIFNYOXYDE-UHFFFAOYSA-N 2 0 363.487 3.477 20 0 FGADRP C[NH+]1CCC2(CC1)C[C@H](NC[C@H]1CC[N@@H+](C3CC3)C1)c1ccccc1O2 ZINC000361900789 498438488 /nfs/dbraw/zinc/43/84/88/498438488.db2.gz RIUCHQKBVGTOBT-XLIONFOSSA-N 2 0 355.526 3.049 20 0 FGADRP CC[N@H+](Cc1ccc(C(=O)Nc2cnc3c(c2)C[NH2+]CC3)cc1)C(C)C ZINC000362020383 498454649 /nfs/dbraw/zinc/45/46/49/498454649.db2.gz HAMWRUMMZKBFPQ-UHFFFAOYSA-N 2 0 352.482 3.210 20 0 FGADRP C[C@H]([NH2+]C1(CNC(=O)N2CC[C@H]([NH3+])[C@@H](C)C2)CCCC1)c1ccccc1 ZINC000569911927 506045902 /nfs/dbraw/zinc/04/59/02/506045902.db2.gz FSYBMWQRKVKTIH-LNLFQRSKSA-N 2 0 358.530 3.029 20 0 FGADRP O[C@@H](C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)COc1ccccc1 ZINC000575982686 506048567 /nfs/dbraw/zinc/04/85/67/506048567.db2.gz WTPHULGTZYKEEA-LRSLUSHPSA-N 2 0 366.505 3.212 20 0 FGADRP c1coc([C@@H](C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)N2CCCCC2)c1 ZINC000294101006 498588382 /nfs/dbraw/zinc/58/83/82/498588382.db2.gz BZFMJXGVVJOHLW-HXUWFJFHSA-N 2 0 354.498 3.460 20 0 FGADRP Cc1occc1C(=O)N1CCC([NH2+]Cc2ccc(-n3ccnc3)cc2)CC1 ZINC000362999159 498596915 /nfs/dbraw/zinc/59/69/15/498596915.db2.gz ARABCIOQVYCUES-UHFFFAOYSA-N 2 0 364.449 3.168 20 0 FGADRP C[C@@H](CNC(=O)NCc1cccc(C[NH+]2CCC(C)CC2)c1)[N@H+](C)C1CC1 ZINC000303267932 498660002 /nfs/dbraw/zinc/66/00/02/498660002.db2.gz IZGHFCHAFZHGQS-SFHVURJKSA-N 2 0 372.557 3.200 20 0 FGADRP CCOCCC1(C[NH2+][C@@H]2CC[N@H+](C[C@H]3CCCO3)C[C@@H]2C)CCCC1 ZINC000363158013 498678980 /nfs/dbraw/zinc/67/89/80/498678980.db2.gz RHIIINRKGCXFRI-XUVXKRRUSA-N 2 0 352.563 3.452 20 0 FGADRP C[NH+]1CCC(CC(=O)N2CCC[C@@H]2[C@@H]2CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000365879662 498684611 /nfs/dbraw/zinc/68/46/11/498684611.db2.gz KIPWNAQXKCNVJI-FCHUYYIVSA-N 2 0 369.553 3.374 20 0 FGADRP CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1ccn2ccnc2c1 ZINC000290844266 498697670 /nfs/dbraw/zinc/69/76/70/498697670.db2.gz YXBVFWYDRHSAHF-GOSISDBHSA-N 2 0 363.465 3.320 20 0 FGADRP O=C1CCCN1C[C@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1ccccc1 ZINC000298269828 498717358 /nfs/dbraw/zinc/71/73/58/498717358.db2.gz GICHRXQNTCBMPK-NRFANRHFSA-N 2 0 364.493 3.004 20 0 FGADRP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)NC[C@H](c2ccc(Cl)cc2)[NH+](C)C)C1 ZINC000581869608 506079024 /nfs/dbraw/zinc/07/90/24/506079024.db2.gz PAVPXIWHDKWYKV-ZWKOTPCHSA-N 2 0 366.937 3.067 20 0 FGADRP Cc1cc(C)c(CNC(=O)N[C@@H]2CCN(C)[C@H]2c2ccc(F)c(F)c2)cn1 ZINC000576113129 506080795 /nfs/dbraw/zinc/08/07/95/506080795.db2.gz TXBJVEBSTPRQSI-MOPGFXCFSA-N 2 0 374.435 3.221 20 0 FGADRP Cc1ccnc(C)c1NC(=O)NCc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000287390380 498739429 /nfs/dbraw/zinc/73/94/29/498739429.db2.gz CUMTVTCSPNDLBN-UHFFFAOYSA-N 2 0 368.481 3.493 20 0 FGADRP C[C@@H]1CN(Cc2ccccc2NC(=O)[C@H]2CCCc3nc[nH]c32)C[C@@H](C)O1 ZINC000366181477 498810165 /nfs/dbraw/zinc/81/01/65/498810165.db2.gz JHTFHJWRBGYSTJ-INMHGKMJSA-N 2 0 368.481 3.078 20 0 FGADRP Cc1nn(C)c(N2CCC[N@H+](C)CC2)c1C[NH2+][C@@H](C)c1ccc(C)cc1C ZINC000366234043 498834800 /nfs/dbraw/zinc/83/48/00/498834800.db2.gz HYYIOQLUWXQGRL-SFHVURJKSA-N 2 0 369.557 3.338 20 0 FGADRP O=C(NCc1cccc(C[NH+]2CCCC2)c1)NC1CC([NH+]2CCCCC2)C1 ZINC000366263989 498848665 /nfs/dbraw/zinc/84/86/65/498848665.db2.gz XFVJMQKQXUCUQD-UHFFFAOYSA-N 2 0 370.541 3.099 20 0 FGADRP C[NH+](C)CCCOc1ccc(C[NH2+][C@H]2CCO[C@H](C(F)(F)F)C2)cc1 ZINC000287762453 498857845 /nfs/dbraw/zinc/85/78/45/498857845.db2.gz QYINTUNXPPDIDB-RDJZCZTQSA-N 2 0 360.420 3.217 20 0 FGADRP COc1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1Cn1cccn1 ZINC000363543205 498870393 /nfs/dbraw/zinc/87/03/93/498870393.db2.gz FCFNTIHMONCVLA-DBVUQKKJSA-N 2 0 354.498 3.217 20 0 FGADRP CCC[N@H+](CC)Cc1ccc(C(=O)N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000576225604 506107092 /nfs/dbraw/zinc/10/70/92/506107092.db2.gz XZNYWRGEJJYJRT-NHCUHLMSSA-N 2 0 357.542 3.380 20 0 FGADRP C[C@@H](C(=O)N1CCC(C[NH+]2CCC(C)CC2)CC1)[C@@H]([NH3+])c1ccccc1 ZINC000366336205 498879272 /nfs/dbraw/zinc/87/92/72/498879272.db2.gz ZJPXAHZUMSVAKN-WIYYLYMNSA-N 2 0 357.542 3.293 20 0 FGADRP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+][C@H]3CCCO[C@@H]3c3cnn(C)c3)CC2)C1 ZINC000328623331 498879596 /nfs/dbraw/zinc/87/95/96/498879596.db2.gz BWPXGAVJMWBGGO-RZXSNQJFSA-N 2 0 360.546 3.273 20 0 FGADRP C[C@@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000295020761 498881426 /nfs/dbraw/zinc/88/14/26/498881426.db2.gz NEUWJLZGPYQCFW-MIGBEJBISA-N 2 0 363.933 3.292 20 0 FGADRP O=C(NCCCCC[NH+]1CCCCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000570172899 506108054 /nfs/dbraw/zinc/10/80/54/506108054.db2.gz ANKBYRUZUMDVKE-OAQYLSRUSA-N 2 0 357.542 3.281 20 0 FGADRP COc1cccc(NC(=O)CC[NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000298881273 498905697 /nfs/dbraw/zinc/90/56/97/498905697.db2.gz KESXZMJLZNDWEA-IAGOWNOFSA-N 2 0 359.514 3.266 20 0 FGADRP [NH3+]C[C@@H](NC(=O)N1CCC(c2c[nH]cn2)CC1)c1ccc2ccccc2c1 ZINC000570188370 506110521 /nfs/dbraw/zinc/11/05/21/506110521.db2.gz GPAAIVMDLDFGMY-LJQANCHMSA-N 2 0 363.465 3.152 20 0 FGADRP CC(C)[C@H]1OCCC[C@@H]1Nc1cc(N2CCC3(CCC[N@@H+]3C)CC2)ncn1 ZINC000333217460 498940869 /nfs/dbraw/zinc/94/08/69/498940869.db2.gz QXNIGIARTYATRN-FXAWDEMLSA-N 2 0 373.545 3.157 20 0 FGADRP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)c1ccc(OCc2nccn2C)cc1 ZINC000576268685 506117141 /nfs/dbraw/zinc/11/71/41/506117141.db2.gz YFMFGEYGRBOWDD-JCHJZTRSSA-N 2 0 354.498 3.038 20 0 FGADRP C[C@H]([NH2+]C[C@H]1CCCN(Cc2cccnc2)C1)c1ccc2c(c1)OCCO2 ZINC000363787776 498992880 /nfs/dbraw/zinc/99/28/80/498992880.db2.gz VQXZRZBEBCICAZ-PKOBYXMFSA-N 2 0 367.493 3.416 20 0 FGADRP CC1CC[NH+]([C@H](CNC(=O)N2CCC(CC[NH3+])CC2)c2ccccc2)CC1 ZINC000582068060 506126083 /nfs/dbraw/zinc/12/60/83/506126083.db2.gz VBRWECUFFOFQRG-OAQYLSRUSA-N 2 0 372.557 3.230 20 0 FGADRP C[NH+]1CCC(CC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)CC1 ZINC000291650504 499023515 /nfs/dbraw/zinc/02/35/15/499023515.db2.gz KPHSUOOVWZZZKW-FQEVSTJZSA-N 2 0 357.542 3.135 20 0 FGADRP CCCC[N@H+](C)C[C@@H](C)NC(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000570269617 506129376 /nfs/dbraw/zinc/12/93/76/506129376.db2.gz UEUVRKRAJSUPJD-QGZVFWFLSA-N 2 0 352.567 3.061 20 0 FGADRP Cn1cc([C@H]2[C@@H](C[NH2+]Cc3ncc(C(C)(C)C)s3)CCCN2C)cn1 ZINC000363993216 499078246 /nfs/dbraw/zinc/07/82/46/499078246.db2.gz JVNDSPLNYVJNQN-RDTXWAMCSA-N 2 0 361.559 3.347 20 0 FGADRP Clc1ccc(-c2cc(C[N@@H+]3CC4(CC[NH2+]CC4)[C@@H]4COC[C@@H]43)on2)cc1 ZINC000333852204 499088036 /nfs/dbraw/zinc/08/80/36/499088036.db2.gz NVKAPHRAAIICNW-MJGOQNOKSA-N 2 0 373.884 3.195 20 0 FGADRP CC(C)(C)OC(=O)N1CCC2(CCC[N@H+](CCCn3ccnc3)C2)CC1 ZINC000372517219 499137183 /nfs/dbraw/zinc/13/71/83/499137183.db2.gz UCYYGQBZMPODLM-UHFFFAOYSA-N 2 0 362.518 3.386 20 0 FGADRP c1ccc(CN2CC[NH+](CCCC[NH2+][C@@H]3CCC34CCOCC4)CC2)cc1 ZINC000367259306 499169298 /nfs/dbraw/zinc/16/92/98/499169298.db2.gz HOYMOEATOQCTBQ-JOCHJYFZSA-N 2 0 371.569 3.133 20 0 FGADRP C[N@H+](C[C@@H]1CC12CC[NH+](C[C@H](O)c1cc(F)ccc1F)CC2)C1CC1 ZINC000367310758 499178639 /nfs/dbraw/zinc/17/86/39/499178639.db2.gz UYPKAJDWMRDTAD-LIRRHRJNSA-N 2 0 350.453 3.195 20 0 FGADRP C[C@@H]1CCCC[C@H]1[NH+]1CCC(NCCC[N@@H+]2CCCO[C@H](C)C2)CC1 ZINC000372867400 499186803 /nfs/dbraw/zinc/18/68/03/499186803.db2.gz COXFWRLDPMTLJU-SFHLNBCPSA-N 2 0 351.579 3.120 20 0 FGADRP c1ccc(N2CC[NH+](CCCN3CCC([NH2+]C4CCCC4)CC3)CC2)cc1 ZINC000367551867 499211606 /nfs/dbraw/zinc/21/16/06/499211606.db2.gz CDLJMMHFBFSBEA-UHFFFAOYSA-N 2 0 370.585 3.195 20 0 FGADRP COc1ccc(-c2n[nH]cc2C[N@@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)cc1 ZINC000367681872 499224404 /nfs/dbraw/zinc/22/44/04/499224404.db2.gz DHQOXUAHWKOVOU-SFHVURJKSA-N 2 0 354.498 3.249 20 0 FGADRP C[N@H+](C[C@]1(C)CCN(C(=O)OC(C)(C)C)C1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000367700200 499225973 /nfs/dbraw/zinc/22/59/73/499225973.db2.gz BMUBNHBFXASZBZ-YLPFRIKTSA-N 2 0 351.535 3.191 20 0 FGADRP CSc1nnc(CCC[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)n1CC(C)C ZINC000367751727 499230809 /nfs/dbraw/zinc/23/08/09/499230809.db2.gz GEFNXJKMGKHEHM-GVDBMIGSSA-N 2 0 365.591 3.051 20 0 FGADRP C[N@H+](C[C@@H](O)Cc1cccc(Cl)c1)C1CCN(c2ccccn2)CC1 ZINC000367848997 499237899 /nfs/dbraw/zinc/23/78/99/499237899.db2.gz NPTVZGPHHRIVRP-IBGZPJMESA-N 2 0 359.901 3.239 20 0 FGADRP C[C@@H]1C[N@H+](Cc2cccc(-c3cccnc3)c2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000370705834 499246458 /nfs/dbraw/zinc/24/64/58/499246458.db2.gz JOFWWFBXPGPUGM-XXBNENTESA-N 2 0 364.537 3.206 20 0 FGADRP Cc1nccn1-c1ccc([C@H](C)[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)cc1 ZINC000368026068 499256733 /nfs/dbraw/zinc/25/67/33/499256733.db2.gz ZVLZFUIPBGNNQK-FBEWHJACSA-N 2 0 368.525 3.425 20 0 FGADRP CC(C)[NH+]1CCN([C@H]2CCN(Cc3ccc(F)cc3C(F)(F)F)C2)CC1 ZINC000371333274 499311403 /nfs/dbraw/zinc/31/14/03/499311403.db2.gz UEMUFTLVNKMKDC-KRWDZBQOSA-N 2 0 373.438 3.445 20 0 FGADRP C[N@@H+]1CC[C@H](C[NH2+]C2CCN(c3nccs3)CC2)[C@H]1c1ccccc1 ZINC000371519747 499337405 /nfs/dbraw/zinc/33/74/05/499337405.db2.gz NBHJNOXLVSZWBX-IEBWSBKVSA-N 2 0 356.539 3.395 20 0 FGADRP CCC[NH+]1CCC(N2CC[NH+](CCCOCCc3ccccc3)CC2)CC1 ZINC000371619655 499348090 /nfs/dbraw/zinc/34/80/90/499348090.db2.gz BSTUYHDUZOOYSQ-UHFFFAOYSA-N 2 0 373.585 3.128 20 0 FGADRP C[C@H]1C[N@H+](CC2CCC(C(F)(F)F)CC2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000372112761 499400388 /nfs/dbraw/zinc/40/03/88/499400388.db2.gz JUNLQOGBKFLROT-BFWZDYSYSA-N 2 0 361.496 3.313 20 0 FGADRP C(=C/C[N@@H+]1CC[C@@H](C2CCOCC2)C1)\C[NH+]1CC[C@@H](C2CCOCC2)C1 ZINC000372270791 499415635 /nfs/dbraw/zinc/41/56/35/499415635.db2.gz UQCASXRPMZKGHP-HSMZSTHASA-N 2 0 362.558 3.040 20 0 FGADRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)C[C@@H]1CCC[NH2+]CC1 ZINC000372411752 499431676 /nfs/dbraw/zinc/43/16/76/499431676.db2.gz JILMMXJKMQOHRX-MOXWOTFGSA-N 2 0 357.542 3.039 20 0 FGADRP C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@H]1[NH2+]Cc1cccc(OCC(F)F)c1 ZINC000373157251 499454276 /nfs/dbraw/zinc/45/42/76/499454276.db2.gz ZJERWQSOLDAMKE-ATZDWAIDSA-N 2 0 368.468 3.310 20 0 FGADRP CCC[NH+]1CCN(C2CC[NH+](Cc3cnc(CC(C)C)s3)CC2)CC1 ZINC000378337229 499503380 /nfs/dbraw/zinc/50/33/80/499503380.db2.gz AMZXDSSEHJJZNH-UHFFFAOYSA-N 2 0 364.603 3.334 20 0 FGADRP Cn1cc2c(n1)CCC[C@H]2[NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000375310969 499505854 /nfs/dbraw/zinc/50/58/54/499505854.db2.gz SMOWKUNJSSFXQT-HXUWFJFHSA-N 2 0 354.498 3.060 20 0 FGADRP C(=C/C[NH+]1CCC2(CCOCC2)CC1)\C[NH+]1CCC2(CCOCC2)CC1 ZINC000375388519 499512966 /nfs/dbraw/zinc/51/29/66/499512966.db2.gz FRZLPDWMPYCPIR-OWOJBTEDSA-N 2 0 362.558 3.328 20 0 FGADRP O[C@@H]1CC[N@H+](Cc2ccccc2C[NH2+][C@H]2CCC[C@@H](c3cccnc3)C2)C1 ZINC000375593651 499536080 /nfs/dbraw/zinc/53/60/80/499536080.db2.gz YYOKFOAERJTNSP-YFXJRYMSSA-N 2 0 365.521 3.464 20 0 FGADRP c1cncc(CN2CCC[C@@H](C[NH2+]CCCc3ccc4c(c3)CCO4)C2)c1 ZINC000375638396 499540167 /nfs/dbraw/zinc/54/01/67/499540167.db2.gz GERXPOUUADQRHD-NRFANRHFSA-N 2 0 365.521 3.451 20 0 FGADRP C[C@H](CC(=O)N1CCC[N@H+](Cc2ccccc2)C[C@@H]1C)[C@H]1CCC[NH2+]C1 ZINC000382732918 499546206 /nfs/dbraw/zinc/54/62/06/499546206.db2.gz DAHIGKXNTKNVRO-DYXWJJEUSA-N 2 0 357.542 3.135 20 0 FGADRP C[C@H](C(=O)N1CCC[N@H+](Cc2ccccc2)C[C@H]1C)[C@H]([NH3+])c1ccccc1 ZINC000382766712 499546247 /nfs/dbraw/zinc/54/62/47/499546247.db2.gz VYQZYAKNTYFJFW-DXIQSLLYSA-N 2 0 365.521 3.446 20 0 FGADRP Brc1ccc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c2ncccc12 ZINC000389683850 499552941 /nfs/dbraw/zinc/55/29/41/499552941.db2.gz IBDULKPHPJADGS-OKILXGFUSA-N 2 0 360.299 3.429 20 0 FGADRP CN(C)c1ccc(N2CCC([NH2+][C@@H]3CC[N@H+](C)[C@@H]4CCC[C@@H]43)CC2)cc1 ZINC000375802020 499557154 /nfs/dbraw/zinc/55/71/54/499557154.db2.gz PVLHPFBZZGTOHO-YPAWHYETSA-N 2 0 356.558 3.184 20 0 FGADRP C[C@@H]1CN(C(=O)CC[C@H]2CCC[NH2+]C2)[C@H](C)[C@H](C)[N@@H+]1Cc1ccccc1 ZINC000404307299 499570008 /nfs/dbraw/zinc/57/00/08/499570008.db2.gz CPOSYZNUBBZDAI-IYWMVGAKSA-N 2 0 357.542 3.276 20 0 FGADRP C[NH+]1CCC(C[NH2+][C@@H](c2cncc(F)c2)C2CC2)(N2CCCCC2)CC1 ZINC000376130538 499585241 /nfs/dbraw/zinc/58/52/41/499585241.db2.gz ISLLAWDCMWQWND-HXUWFJFHSA-N 2 0 360.521 3.212 20 0 FGADRP c1c[nH]c([C@H](NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c2ccncc2)n1 ZINC000376417085 499607275 /nfs/dbraw/zinc/60/72/75/499607275.db2.gz WPTRJXIGYAKWDB-PZJWPPBQSA-N 2 0 361.493 3.396 20 0 FGADRP C[C@@H]1[C@@H]([NH2+]C2CCN(Cc3ccncc3)CC2)CCN1Cc1ccccc1 ZINC000376733451 499632749 /nfs/dbraw/zinc/63/27/49/499632749.db2.gz KPTDBZMSJQFLHU-XXBNENTESA-N 2 0 364.537 3.299 20 0 FGADRP C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)NCC[NH+]2CCCCC2)C1 ZINC000410349820 499656939 /nfs/dbraw/zinc/65/69/39/499656939.db2.gz HGMMNBNICAHIKQ-IBGZPJMESA-N 2 0 372.557 3.204 20 0 FGADRP C[NH+]1CCC2(CCC[N@@H+]2C[C@@]2(C)CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000377112658 499663251 /nfs/dbraw/zinc/66/32/51/499663251.db2.gz LIXYTFKBVWQVGP-IBGZPJMESA-N 2 0 351.535 3.194 20 0 FGADRP Cc1nnc([C@@H](C)N(C)CCC2CC[NH+](C3CCN(C)CC3)CC2)s1 ZINC000377286048 499676775 /nfs/dbraw/zinc/67/67/75/499676775.db2.gz CWCBUIVAFRZDAO-OAHLLOKOSA-N 3 0 365.591 3.036 20 0 FGADRP CCO[C@@H]1C[C@@H](O)C12CC[NH+](Cc1ccc(C[NH+]3CCCCC3)cc1)CC2 ZINC000411279718 499721094 /nfs/dbraw/zinc/72/10/94/499721094.db2.gz CJCWWZSDTCJGMO-FGZHOGPDSA-N 2 0 372.553 3.424 20 0 FGADRP CC(C)[NH+]1CCN(CCC[NH2+][C@@H]2c3ccccc3CC23CCOCC3)CC1 ZINC000377731326 499726009 /nfs/dbraw/zinc/72/60/09/499726009.db2.gz DGUDJXIKNQKISL-JOCHJYFZSA-N 2 0 371.569 3.086 20 0 FGADRP CNC(=O)c1ccc(C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000377757843 499729177 /nfs/dbraw/zinc/72/91/77/499729177.db2.gz GFFXPUKUASDQKP-VXKWHMMOSA-N 2 0 363.505 3.000 20 0 FGADRP Cn1cc(C[NH2+]C[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)c(-c2ccncc2)n1 ZINC000377758677 499729871 /nfs/dbraw/zinc/72/98/71/499729871.db2.gz CXQXZJCIHZOKDM-KNQAVFIVSA-N 2 0 361.493 3.265 20 0 FGADRP C[C@H]1C[C@@H](C(=O)N2CCC[C@H]2[C@@H]2CCC[NH+]2Cc2ccccc2)CC[N@@H+]1C ZINC000377769727 499731086 /nfs/dbraw/zinc/73/10/86/499731086.db2.gz CKUDINDUJWMMPB-QESAQDPVSA-N 2 0 369.553 3.372 20 0 FGADRP CN(CC[N@H+](C)Cc1ccc(C[NH+]2CCCCC2)cc1)C1CC[NH+](C)CC1 ZINC000411413083 499737111 /nfs/dbraw/zinc/73/71/11/499737111.db2.gz YQUCVPQSYBRTAR-UHFFFAOYSA-N 3 0 372.601 3.130 20 0 FGADRP CCSc1ccc([C@H](C)[NH2+]CC(=O)NC2CC[NH+](C(C)C)CC2)cc1 ZINC000411466568 499744330 /nfs/dbraw/zinc/74/43/30/499744330.db2.gz SBHHNYNXDNVMOR-INIZCTEOSA-N 2 0 363.571 3.438 20 0 FGADRP C[NH+](C)Cc1cccc(C(=O)N2C[C@@H]3C[N@H+](C)[C@@H](c4ccccc4)[C@@H]3C2)c1 ZINC000377883686 499745225 /nfs/dbraw/zinc/74/52/25/499745225.db2.gz KOKXOXAOGCVYNJ-BDTNDASRSA-N 2 0 363.505 3.123 20 0 FGADRP CC[NH+]1CCC(NC(=O)C[NH2+][C@H](c2ccc(Cl)cc2)[C@@H]2C[C@H]2C)CC1 ZINC000411476186 499745568 /nfs/dbraw/zinc/74/55/68/499745568.db2.gz GNBUVXYDGPGUSX-LXGCGDOSSA-N 2 0 363.933 3.227 20 0 FGADRP CC(C)[NH+]1CCC(NC(=O)C[NH2+][C@@H](CC2CCC2)c2ccccc2)CC1 ZINC000411494167 499747432 /nfs/dbraw/zinc/74/74/32/499747432.db2.gz ZSAXXDYVXYPMED-NRFANRHFSA-N 2 0 357.542 3.497 20 0 FGADRP CC[C@@H]([NH2+]CC(=O)NC1CC[NH+](C(C)C)CC1)c1ccc(Cl)s1 ZINC000411508349 499749041 /nfs/dbraw/zinc/74/90/41/499749041.db2.gz AVVRIZSDTLPCAS-CQSZACIVSA-N 2 0 357.951 3.431 20 0 FGADRP COc1ccc(CC[N@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)cc1 ZINC000378002060 499754435 /nfs/dbraw/zinc/75/44/35/499754435.db2.gz LGMXLOQIIGBYCC-UHFFFAOYSA-N 2 0 373.585 3.366 20 0 FGADRP CN1CCO[C@H]([C@@H]([NH2+]CC[C@H]2CCC[N@H+](C)C2)c2ccc(Cl)cc2)C1 ZINC000414199371 499768092 /nfs/dbraw/zinc/76/80/92/499768092.db2.gz WUPXERYPSHHHDV-UXPWSPDFSA-N 2 0 365.949 3.033 20 0 FGADRP CC1CC[NH+](CCC[C@@H]([NH2+]C[C@@H]2CNC(=O)C2)c2ccc(F)cc2)CC1 ZINC000414215194 499769151 /nfs/dbraw/zinc/76/91/51/499769151.db2.gz ZWVGELFYAQPAMT-YLJYHZDGSA-N 2 0 361.505 3.105 20 0 FGADRP C[C@H]1OCC[C@@]12C[N@H+](Cc1ccc(C[NH+]3CCCCC3)cc1)C[C@@H](C)O2 ZINC000411676850 499776719 /nfs/dbraw/zinc/77/67/19/499776719.db2.gz QGVUMJDIQJEZRO-WOIUINJBSA-N 2 0 358.526 3.441 20 0 FGADRP CC[C@H](C)[NH+]1CCN(CCC(C)CCN2CC[NH+]([C@@H](C)CC)CC2)CC1 ZINC000411787402 499790714 /nfs/dbraw/zinc/79/07/14/499790714.db2.gz FAYUFJXAUAMLOB-VXKWHMMOSA-N 2 0 366.638 3.235 20 0 FGADRP O[C@H]([C@H]1CC[N@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C1)C(F)(F)F ZINC000411793065 499791369 /nfs/dbraw/zinc/79/13/69/499791369.db2.gz BBIAUKWFPBNSNW-ZWKOTPCHSA-N 2 0 356.432 3.418 20 0 FGADRP O[C@H]([C@@H]1CC[N@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1)C(F)(F)F ZINC000411798835 499791915 /nfs/dbraw/zinc/79/19/15/499791915.db2.gz JQANEXUZYYQDHC-QZTJIDSGSA-N 2 0 356.432 3.418 20 0 FGADRP NC(=O)C1CC[NH+](Cc2ccc(C[NH2+]Cc3cccc(Cl)c3)cc2)CC1 ZINC000414558106 499808665 /nfs/dbraw/zinc/80/86/65/499808665.db2.gz RDSSPBHCEVFDQZ-UHFFFAOYSA-N 2 0 371.912 3.327 20 0 FGADRP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2C[C@H](c3ccccc3)C3(CCC3)C2)CC1 ZINC000411990104 499810193 /nfs/dbraw/zinc/81/01/93/499810193.db2.gz SEBUGPSOTIMEEV-OAQYLSRUSA-N 2 0 369.553 3.245 20 0 FGADRP [NH3+]CC(=O)N1CCC[C@H](C[N@@H+]2CCCCC[C@@H]2c2ccc(Cl)cc2)C1 ZINC000414706111 499821535 /nfs/dbraw/zinc/82/15/35/499821535.db2.gz OLAAOGFVUVIEPW-VQIMIIECSA-N 2 0 363.933 3.454 20 0 FGADRP Cc1cc(Br)c(C[NH+]2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)s1 ZINC000414767075 499828460 /nfs/dbraw/zinc/82/84/60/499828460.db2.gz FPALFVAADSYRPV-HIFRSBDPSA-N 2 0 359.333 3.147 20 0 FGADRP Clc1cc(C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc2c1OCCCO2 ZINC000414784260 499830623 /nfs/dbraw/zinc/83/06/23/499830623.db2.gz RAVSTQVAOUFKPT-JKSUJKDBSA-N 2 0 350.890 3.323 20 0 FGADRP Cc1ccc(C[NH+]2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)c(Br)c1 ZINC000414785991 499830980 /nfs/dbraw/zinc/83/09/80/499830980.db2.gz KKHAYBIBFRFZKD-SJORKVTESA-N 2 0 353.304 3.086 20 0 FGADRP CCC([NH3+])(CC)C[NH2+][C@H](C)CC(=O)Nc1cccc(Br)c1 ZINC000414802488 499832839 /nfs/dbraw/zinc/83/28/39/499832839.db2.gz BRLFQFBGUHYUAC-GFCCVEGCSA-N 2 0 356.308 3.273 20 0 FGADRP COc1cc(C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])ccc1OCc1ccncc1 ZINC000414801745 499832898 /nfs/dbraw/zinc/83/28/98/499832898.db2.gz MCDGLJXKJHCPNH-RTBURBONSA-N 2 0 355.482 3.276 20 0 FGADRP FC(F)(F)c1ccc(Cn2cc(C[NH2+]CC[C@@H]3CC[NH2+]C3)cn2)cc1 ZINC000414828675 499835116 /nfs/dbraw/zinc/83/51/16/499835116.db2.gz JGCRFCFFSAKUMO-AWEZNQCLSA-N 2 0 352.404 3.039 20 0 FGADRP COc1cc(C[NH2+]C[C@H]2CCC[NH2+]C2)cc(OC)c1OCc1ccccc1 ZINC000414833966 499835527 /nfs/dbraw/zinc/83/55/27/499835527.db2.gz SAJJCYGAMINSHF-SFHVURJKSA-N 2 0 370.493 3.372 20 0 FGADRP CCOc1c(Br)cc(C[NH2+]CC[C@@H]2CCC[NH2+]C2)cc1OC ZINC000414844695 499837089 /nfs/dbraw/zinc/83/70/89/499837089.db2.gz DZLCKVYZZMSSDJ-ZDUSSCGKSA-N 2 0 371.319 3.336 20 0 FGADRP C[C@H]([NH2+]Cc1cc(Br)c2c(c1)OCCCO2)[C@@H]1CCC[NH2+]C1 ZINC000414851940 499837892 /nfs/dbraw/zinc/83/78/92/499837892.db2.gz JQBUQFWFIVIPAM-GXTWGEPZSA-N 2 0 369.303 3.088 20 0 FGADRP C[NH2+]CCC[NH2+]Cc1cn(Cc2ccccc2)nc1-c1ccc(OC)cc1 ZINC000414859089 499838493 /nfs/dbraw/zinc/83/84/93/499838493.db2.gz MAPDFNGDBKEMAD-UHFFFAOYSA-N 2 0 364.493 3.306 20 0 FGADRP COCC[NH2+]CCNCc1cn(-c2ccccc2)nc1-c1ccc(F)cc1 ZINC000414866256 499839112 /nfs/dbraw/zinc/83/91/12/499839112.db2.gz ACBWXUDPSALDTJ-UHFFFAOYSA-N 2 0 368.456 3.004 20 0 FGADRP C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+]CC1(C)CC[NH2+]CC1 ZINC000414896703 499842750 /nfs/dbraw/zinc/84/27/50/499842750.db2.gz CNXBBZNOBUONCZ-ZDUSSCGKSA-N 2 0 368.319 3.146 20 0 FGADRP CC1(C[NH2+]Cc2cnn(-c3ccc(Br)cc3)c2)CC[NH2+]CC1 ZINC000414904564 499843382 /nfs/dbraw/zinc/84/33/82/499843382.db2.gz NMLBRNDMMGOAOU-UHFFFAOYSA-N 2 0 363.303 3.114 20 0 FGADRP C[C@@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000414908147 499843610 /nfs/dbraw/zinc/84/36/10/499843610.db2.gz RHNLQRVJJOFOQS-QWHCGFSZSA-N 2 0 359.392 3.034 20 0 FGADRP C[C@@H]1CC[NH2+]C[C@@H]1NCc1ccc(Br)c(Br)c1 ZINC000414931336 499845659 /nfs/dbraw/zinc/84/56/59/499845659.db2.gz PXIVNIPQNBLEBX-RNCFNFMXSA-N 2 0 362.109 3.299 20 0 FGADRP Brc1ccc(-n2cc(C[NH2+]CCC[C@H]3CCC[NH2+]3)cn2)cc1 ZINC000414960223 499849020 /nfs/dbraw/zinc/84/90/20/499849020.db2.gz AILWDGCIOAHSQS-INIZCTEOSA-N 2 0 363.303 3.257 20 0 FGADRP COCC1(C[NH2+]Cc2cc(Br)ccc2Cl)CC[NH2+]CC1 ZINC000414967014 499849510 /nfs/dbraw/zinc/84/95/10/499849510.db2.gz CNNOLUGNZSYIDM-UHFFFAOYSA-N 2 0 361.711 3.208 20 0 FGADRP COc1ccc(C[NH2+][C@H]2CC[NH2+]CC2(C)C)cc1OCc1cccnc1 ZINC000414966103 499849517 /nfs/dbraw/zinc/84/95/17/499849517.db2.gz FZZCVRLMOZZAHA-FQEVSTJZSA-N 2 0 355.482 3.147 20 0 FGADRP Clc1ccc(-n2cc(C[NH2+]CCC[C@@H]3CCC[NH2+]3)nn2)cc1Cl ZINC000414969263 499849756 /nfs/dbraw/zinc/84/97/56/499849756.db2.gz STIJYKPKDOZASG-GFCCVEGCSA-N 2 0 354.285 3.196 20 0 FGADRP C[C@@H]1CN(C(=O)CC[C@@H]2CCCC[NH+]2C)CC[N@H+](Cc2ccccc2)C1 ZINC000412382239 499850269 /nfs/dbraw/zinc/85/02/69/499850269.db2.gz CGXWKQBWQPHVSF-FPOVZHCZSA-N 2 0 357.542 3.231 20 0 FGADRP COCC1(C[NH2+]Cc2cc(-c3ccccc3)ccc2OC)CC[NH2+]CC1 ZINC000414973565 499850427 /nfs/dbraw/zinc/85/04/27/499850427.db2.gz LDPVSUVKHUEXIL-UHFFFAOYSA-N 2 0 354.494 3.468 20 0 FGADRP CC(C)C[C@H](C[NH2+][C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)c1ccccc1 ZINC000414988177 499851966 /nfs/dbraw/zinc/85/19/66/499851966.db2.gz LNKGXPNFRFXGGE-SJBKTWHCSA-N 2 0 357.542 3.053 20 0 FGADRP C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]C[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000414994427 499852509 /nfs/dbraw/zinc/85/25/09/499852509.db2.gz DPQRIOGEVGRYBY-UMVBOHGHSA-N 2 0 368.319 3.273 20 0 FGADRP Fc1ccc([C@@H]2CC[NH2+]C[C@@H]2C[NH2+]Cc2ccc3c(c2)OCCO3)cc1 ZINC000414995454 499852937 /nfs/dbraw/zinc/85/29/37/499852937.db2.gz FRKPSFGRCVTWCG-MJGOQNOKSA-N 2 0 356.441 3.080 20 0 FGADRP C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+]C[C@H]1CCC[C@@H]([NH3+])C1 ZINC000415003988 499853971 /nfs/dbraw/zinc/85/39/71/499853971.db2.gz NOGQODFYESDIAA-VNHYZAJKSA-N 2 0 368.319 3.273 20 0 FGADRP C[C@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[NH2+][C@@H](C)[C@H](C)[NH3+] ZINC000415020144 499855609 /nfs/dbraw/zinc/85/56/09/499855609.db2.gz SLOPWIHFTPRIET-UTLUCORTSA-N 2 0 351.800 3.401 20 0 FGADRP [NH3+]C[C@H]1CC[C@@H]([NH2+]Cc2cn(Cc3ccccc3)nc2-c2cccnc2)C1 ZINC000415029516 499856132 /nfs/dbraw/zinc/85/61/32/499856132.db2.gz DQPCZSZMSITTRX-GHTZIAJQSA-N 2 0 361.493 3.210 20 0 FGADRP Fc1ccc(-c2nc(C[NH2+]C3CCC(N4CC[NH2+]CC4)CC3)cs2)cc1 ZINC000415054834 499858855 /nfs/dbraw/zinc/85/88/55/499858855.db2.gz NTKGGBPULXURJF-UHFFFAOYSA-N 2 0 374.529 3.255 20 0 FGADRP C[C@@]1(C[NH2+]CC2(c3cccc(C(F)(F)F)c3)CCOCC2)CC[NH2+]C1 ZINC000415076882 499861267 /nfs/dbraw/zinc/86/12/67/499861267.db2.gz BPMVGLTUPDXUSC-QGZVFWFLSA-N 2 0 356.432 3.343 20 0 FGADRP Cc1cc(Br)ccc1C[NH+]1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000415104580 499863844 /nfs/dbraw/zinc/86/38/44/499863844.db2.gz HEWRBMVYFPFZIJ-MSOLQXFVSA-N 2 0 367.331 3.476 20 0 FGADRP C[C@@H]1CC[N@H+](Cc2cn(-c3ccccc3)nc2-c2ccncc2)C[C@H]1C[NH3+] ZINC000415119983 499866232 /nfs/dbraw/zinc/86/62/32/499866232.db2.gz FPLXGKSFKOCFFO-IEBWSBKVSA-N 2 0 361.493 3.351 20 0 FGADRP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000415126365 499867090 /nfs/dbraw/zinc/86/70/90/499867090.db2.gz MAXGTXXICYRFIU-SJORKVTESA-N 2 0 358.404 3.304 20 0 FGADRP COc1cc(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)ccc1OCc1ccncc1 ZINC000415133207 499868444 /nfs/dbraw/zinc/86/84/44/499868444.db2.gz UYIAXEMEWMGMQZ-LPHOPBHVSA-N 2 0 355.482 3.086 20 0 FGADRP Brc1cccc(CN2CCC([NH2+][C@@H]3CCC[NH2+]CC3)CC2)c1 ZINC000415140863 499869633 /nfs/dbraw/zinc/86/96/33/499869633.db2.gz NUNURQADVQZISJ-QGZVFWFLSA-N 2 0 366.347 3.145 20 0 FGADRP [NH3+]C[C@H]1CCCC[C@H]1NC(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000415314626 499885616 /nfs/dbraw/zinc/88/56/16/499885616.db2.gz XXMKRJZZPYQIQI-YLJYHZDGSA-N 2 0 374.529 3.190 20 0 FGADRP Cc1ccccc1[C@@H]([C@H](C)NC(=O)Nc1ccc2c(c1)C[NH2+]CC2)[NH+](C)C ZINC000415893375 499925383 /nfs/dbraw/zinc/92/53/83/499925383.db2.gz KJYJTDINWCNGPZ-HRAATJIYSA-N 2 0 366.509 3.454 20 0 FGADRP COc1cc2[nH+]ccc(N3CC[C@H](C4CC[NH+](C)CC4)C3)c2cc1OC ZINC000413204987 499926648 /nfs/dbraw/zinc/92/66/48/499926648.db2.gz PCSPYGDALLFTAF-INIZCTEOSA-N 2 0 355.482 3.420 20 0 FGADRP C[NH2+]Cc1ccc(NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000415977783 499936456 /nfs/dbraw/zinc/93/64/56/499936456.db2.gz YRNRNGCKNNAFER-DYESRHJHSA-N 2 0 366.509 3.438 20 0 FGADRP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)Nc2ccc(C[NH3+])cc2)CC1 ZINC000415983057 499937181 /nfs/dbraw/zinc/93/71/81/499937181.db2.gz YVKZFSPXHDOZKC-INIZCTEOSA-N 2 0 352.482 3.492 20 0 FGADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000415997331 499939153 /nfs/dbraw/zinc/93/91/53/499939153.db2.gz PANWDABRZVGOGJ-UHFFFAOYSA-N 2 0 352.482 3.405 20 0 FGADRP O=C(Nc1ccc2c(c1)C[NH2+]C2)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000415999147 499939512 /nfs/dbraw/zinc/93/95/12/499939512.db2.gz UNTWBPJLNCZPEP-UHFFFAOYSA-N 2 0 356.514 3.410 20 0 FGADRP C[C@H](C[NH+]1CCCCC1)NC(=O)N[C@@H](C[NH3+])c1ccc2ccccc2c1 ZINC000417036128 499954020 /nfs/dbraw/zinc/95/40/20/499954020.db2.gz SOIGUUYJLSVIHP-UZLBHIALSA-N 2 0 354.498 3.013 20 0 FGADRP CC[NH+]1CCC(n2nccc2NC(=O)C[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000416141879 499956208 /nfs/dbraw/zinc/95/62/08/499956208.db2.gz AWXBUYXPXONPFF-IBGZPJMESA-N 2 0 369.513 3.171 20 0 FGADRP CCCC[N@H+](C)CC1CCN(C(=O)CC[NH+]2CCc3ccccc3C2)CC1 ZINC000416160709 499963864 /nfs/dbraw/zinc/96/38/64/499963864.db2.gz PHTBOUDKWQWRMS-UHFFFAOYSA-N 2 0 371.569 3.405 20 0 FGADRP C[N@@H+]1CC[C@@]2(CC[NH+](C[C@@H](O)Cn3c4ccccc4c4ccccc43)C2)C1 ZINC000429032860 499989278 /nfs/dbraw/zinc/98/92/78/499989278.db2.gz XXSLJDJJNRHJQW-WZONZLPQSA-N 2 0 363.505 3.183 20 0 FGADRP C[NH+](C)[C@H](CNC(=O)N[C@@H](CCC[NH3+])c1ccccc1)c1ccc(F)cc1 ZINC000417169246 499994354 /nfs/dbraw/zinc/99/43/54/499994354.db2.gz HTFOFCWJWVEHFQ-VQTJNVASSA-N 2 0 372.488 3.208 20 0 FGADRP C[N@H+](Cc1ccccc1CNC(=O)NCCC[NH2+]C1CC1)C1CCCCC1 ZINC000417223494 500009967 /nfs/dbraw/zinc/00/99/67/500009967.db2.gz QLBLCPDYHXWPGR-UHFFFAOYSA-N 2 0 372.557 3.392 20 0 FGADRP CN(C(=O)NCc1ccccc1C[N@H+](C)C1CCCCC1)C1CC[NH2+]CC1 ZINC000417226679 500011189 /nfs/dbraw/zinc/01/11/89/500011189.db2.gz UKIVHNDARJKWRN-UHFFFAOYSA-N 2 0 372.557 3.345 20 0 FGADRP C[N@H+](Cc1ccccc1CNC(=O)N[C@H]1CC[C@H](C[NH3+])C1)C1CCCCC1 ZINC000417229877 500011707 /nfs/dbraw/zinc/01/17/07/500011707.db2.gz YCUKOZGROBSOKC-PXNSSMCTSA-N 2 0 372.557 3.378 20 0 FGADRP CC[NH+]1CCC(N2CCC[N@H+](C[C@H](C)c3ccc(OC)cc3)CC2)CC1 ZINC000421372729 500029781 /nfs/dbraw/zinc/02/97/81/500029781.db2.gz LRDFWLRTCCLFPY-IBGZPJMESA-N 2 0 359.558 3.291 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N[C@H](C)[C@H](C)[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000417293179 500030633 /nfs/dbraw/zinc/03/06/33/500030633.db2.gz DZUJYBGIZOXTQZ-WOSRLPQWSA-N 2 0 374.451 3.123 20 0 FGADRP CCC[NH+]1CCN(c2ccccc2C[N@@H+]2CCC[C@H](CCO)CC2)CC1 ZINC000421391672 500036129 /nfs/dbraw/zinc/03/61/29/500036129.db2.gz AUYNEIIQRSZSEO-FQEVSTJZSA-N 2 0 359.558 3.203 20 0 FGADRP CCC[NH+]1CCN(c2ccccc2C[N@@H+]2CCC[C@@H](CCO)CC2)CC1 ZINC000421391674 500036271 /nfs/dbraw/zinc/03/62/71/500036271.db2.gz AUYNEIIQRSZSEO-HXUWFJFHSA-N 2 0 359.558 3.203 20 0 FGADRP O=C(NCC[C@@H]1CCC[NH2+]C1)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000417352983 500046769 /nfs/dbraw/zinc/04/67/69/500046769.db2.gz HNTLRFXBVFXPBO-IBGZPJMESA-N 2 0 372.557 3.252 20 0 FGADRP C[C@@H]([NH3+])c1ccc(CNC(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2)cc1 ZINC000429519377 500091675 /nfs/dbraw/zinc/09/16/75/500091675.db2.gz VWRMRJVEMCNIRQ-DYESRHJHSA-N 2 0 351.494 3.377 20 0 FGADRP COC1(C[C@H](C)[NH2+]CCCN2CC[N@H+](C)C[C@H]2c2ccccc2)CCC1 ZINC000429520487 500092609 /nfs/dbraw/zinc/09/26/09/500092609.db2.gz SONZZJAVRMSRSY-FPOVZHCZSA-N 2 0 359.558 3.303 20 0 FGADRP O=C(NCC[NH2+]C1CCCCCC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000429545155 500098309 /nfs/dbraw/zinc/09/83/09/500098309.db2.gz BXHQPDKVGSTDJK-UHFFFAOYSA-N 2 0 357.542 3.327 20 0 FGADRP C[C@H](CNC(=O)N(CCC[NH3+])Cc1ccccc1)[N@H+](C)Cc1ccccc1 ZINC000417578067 500115015 /nfs/dbraw/zinc/11/50/15/500115015.db2.gz KMRKVPOMCISYGX-LJQANCHMSA-N 2 0 368.525 3.068 20 0 FGADRP CCCN(C(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](CC)C1)C1CC[NH2+]CC1 ZINC000417583404 500116357 /nfs/dbraw/zinc/11/63/57/500116357.db2.gz KJDIHOOLHYDTPG-QGZVFWFLSA-N 2 0 352.567 3.061 20 0 FGADRP C[C@@H](CCCC[NH3+])NC(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000417629417 500130195 /nfs/dbraw/zinc/13/01/95/500130195.db2.gz VNVORWHCUPUQNF-SFHVURJKSA-N 2 0 360.546 3.379 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)N1CCC2(CC[NH2+]CC2)CC1)c1ccccc1 ZINC000416834186 500133841 /nfs/dbraw/zinc/13/38/41/500133841.db2.gz DFQWZUULUHDKAI-FQEVSTJZSA-N 2 0 372.557 3.245 20 0 FGADRP C[C@@H](CCCC[NH3+])NC(=O)N[C@@H](C[N@@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000417675163 500146010 /nfs/dbraw/zinc/14/60/10/500146010.db2.gz BHCQVJGYOVLRNP-PXNSSMCTSA-N 2 0 374.573 3.276 20 0 FGADRP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000416887511 500147798 /nfs/dbraw/zinc/14/77/98/500147798.db2.gz IFKJPVFUFBIRER-PXNSSMCTSA-N 2 0 358.530 3.084 20 0 FGADRP C[C@H]([NH2+]CCCOC1CC[NH+](Cc2ccccc2)CC1)c1ccn(C)n1 ZINC000414088599 500150589 /nfs/dbraw/zinc/15/05/89/500150589.db2.gz CBCJYSBCQPBZPD-SFHVURJKSA-N 2 0 356.514 3.142 20 0 FGADRP CCC(CC)(CNC(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1)[NH2+][C@@H](C)c1ccccc1 ZINC000417700983 500151513 /nfs/dbraw/zinc/15/15/13/500151513.db2.gz JFCRCYBHOUNKRP-SXLOBPIMSA-N 2 0 372.557 3.147 20 0 FGADRP C[C@H]([NH2+]C1(CNC(=O)NCCC[C@H]2CCC[NH2+]2)CCCC1)c1ccccc1 ZINC000417701380 500151844 /nfs/dbraw/zinc/15/18/44/500151844.db2.gz JKZHDVCMTVDUBN-AZUAARDMSA-N 2 0 372.557 3.481 20 0 FGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@H](C)c2ccc(Cl)cc2OC)CC1 ZINC000421824551 500160155 /nfs/dbraw/zinc/16/01/55/500160155.db2.gz JHVVXVGSQDZNAA-JKSUJKDBSA-N 2 0 353.938 3.273 20 0 FGADRP CCC(CC)[C@H](CNC(=O)NCc1ccc([C@H](C)[NH3+])cc1)[NH+]1CCCC1 ZINC000416962422 500167514 /nfs/dbraw/zinc/16/75/14/500167514.db2.gz UGHNKUMFAMICMG-JXFKEZNVSA-N 2 0 360.546 3.406 20 0 FGADRP C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)N3CC[C@H](C)[C@@H](C[NH3+])C3)cc2)C1 ZINC000416968518 500169301 /nfs/dbraw/zinc/16/93/01/500169301.db2.gz JHTUOBKJSDDJOG-LQWHRVPQSA-N 2 0 372.557 3.045 20 0 FGADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N(C)CC(C)(C)C[NH3+])cc1 ZINC000416975513 500172695 /nfs/dbraw/zinc/17/26/95/500172695.db2.gz MYJVHZORLNWKGV-KRWDZBQOSA-N 2 0 360.546 3.187 20 0 FGADRP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)NCc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)C1 ZINC000416979443 500174058 /nfs/dbraw/zinc/17/40/58/500174058.db2.gz SKVNALGZVHXJEC-LVCYWYKZSA-N 2 0 372.557 3.330 20 0 FGADRP C[NH2+][C@@H]1CCCN(C(=O)NCc2ccccc2C[NH+]2C[C@@H](C)C[C@H](C)C2)C1 ZINC000416990105 500177678 /nfs/dbraw/zinc/17/76/78/500177678.db2.gz MYOHRIOIUUAGQA-BBTUJRGHSA-N 2 0 372.557 3.058 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)N(C)C3CC[NH2+]CC3)cc2)C1 ZINC000416993920 500178720 /nfs/dbraw/zinc/17/87/20/500178720.db2.gz QYSPRICUJXKZBI-HDICACEKSA-N 2 0 372.557 3.058 20 0 FGADRP C[C@H]1C[C@H](NC(=O)NCC2([NH3+])CCCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000417827172 500179818 /nfs/dbraw/zinc/17/98/18/500179818.db2.gz CWIYCZHVDJVQBV-PKOBYXMFSA-N 2 0 358.530 3.000 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N(CC[NH3+])Cc1ccccc1)c1ccsc1 ZINC000417002680 500181177 /nfs/dbraw/zinc/18/11/77/500181177.db2.gz GFNFVYDDXJLAFJ-LJQANCHMSA-N 2 0 374.554 3.302 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)NCC1([NH3+])CCCCC1)c1ccsc1 ZINC000417008308 500182960 /nfs/dbraw/zinc/18/29/60/500182960.db2.gz MDFJDTSQXSBNQF-MRXNPFEDSA-N 2 0 352.548 3.092 20 0 FGADRP C[N@H+](CCCNC(=O)N1CCCC[C@H]1[C@@H]1CCC[NH2+]C1)C1CCCCC1 ZINC000417023736 500186561 /nfs/dbraw/zinc/18/65/61/500186561.db2.gz WJFKWHAWCANJGJ-QUCCMNQESA-N 2 0 364.578 3.205 20 0 FGADRP CC(C)C[C@H](CNC(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2)[NH2+][C@H](C)c1ccccc1 ZINC000417866609 500187004 /nfs/dbraw/zinc/18/70/04/500187004.db2.gz DPTMRZYMVKHHBL-AYWYSENESA-N 2 0 372.557 3.288 20 0 FGADRP CCCC[N@H+](CC)Cc1cccc(CNC(=O)N[C@H](C)[C@@H]2CCC[NH2+]C2)c1 ZINC000417881824 500190829 /nfs/dbraw/zinc/19/08/29/500190829.db2.gz RJDMRPJPULENAR-WIYYLYMNSA-N 2 0 374.573 3.496 20 0 FGADRP CCCC[N@H+](CC)Cc1cccc(CNC(=O)NC[C@@H]2CCC[NH2+]C2)c1 ZINC000417883865 500191187 /nfs/dbraw/zinc/19/11/87/500191187.db2.gz STEXLHYGXSXPNC-HXUWFJFHSA-N 2 0 360.546 3.107 20 0 FGADRP CCC1(CNC(=O)N2C[C@@H](C[NH3+])C[C@H]2C)CC[NH+](Cc2ccccc2)CC1 ZINC000417922422 500198756 /nfs/dbraw/zinc/19/87/56/500198756.db2.gz IZTTWYGZIYSQIJ-UYAOXDASSA-N 2 0 372.557 3.058 20 0 FGADRP Cc1cnccc1OC1CCN([C@H](C)C(=O)N[C@H](C)c2ccccc2)CC1 ZINC000570503999 506182457 /nfs/dbraw/zinc/18/24/57/506182457.db2.gz DWSDHLWFPCHYAV-QZTJIDSGSA-N 2 0 367.493 3.499 20 0 FGADRP CCCN(C(=O)NCc1ccccc1C[NH+]1CCC(C)CC1)[C@H]1CC[NH2+]C1 ZINC000418067857 500224863 /nfs/dbraw/zinc/22/48/63/500224863.db2.gz PLTKDZQHBDPJJW-NRFANRHFSA-N 2 0 372.557 3.202 20 0 FGADRP CC1CC[NH+](Cc2ccccc2CNC(=O)NCCC2=CC[NH2+]CC2)CC1 ZINC000418067863 500225017 /nfs/dbraw/zinc/22/50/17/500225017.db2.gz PPWYPTUUVBPVCL-UHFFFAOYSA-N 2 0 370.541 3.028 20 0 FGADRP C[C@@H]1C[C@H](CCNC(=O)N(C)C[C@H]2CCC[N@@H+]2C)C[NH+]1Cc1ccccc1 ZINC000422186678 500229666 /nfs/dbraw/zinc/22/96/66/500229666.db2.gz RTEUHSYUROVOIU-HLAWJBBLSA-N 2 0 372.557 3.023 20 0 FGADRP CCCC[C@@H](C[NH3+])NC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000418161123 500239671 /nfs/dbraw/zinc/23/96/71/500239671.db2.gz SNEFANTYKOIWJC-RBUKOAKNSA-N 2 0 360.546 3.104 20 0 FGADRP CCCN(C(=O)N[C@H](C)[C@H](c1ccccc1C)[NH+](C)C)C1CC[NH2+]CC1 ZINC000418162185 500239830 /nfs/dbraw/zinc/23/98/30/500239830.db2.gz CGCSIVMQPSCXEZ-YLJYHZDGSA-N 2 0 360.546 3.160 20 0 FGADRP CCN(C(=O)NC1CCC([NH+](C)C)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000422246744 500241041 /nfs/dbraw/zinc/24/10/41/500241041.db2.gz UFTYMWVGZIKBRN-CBNMVNINSA-N 2 0 372.557 3.165 20 0 FGADRP C[C@H](NC(=O)N1CCC([C@H]2[NH2+]CC2(C)C)CC1)[C@H](c1ccccc1)[NH+](C)C ZINC000418188912 500245690 /nfs/dbraw/zinc/24/56/90/500245690.db2.gz UWOUUEFNIZOYGQ-PWIZWCRZSA-N 2 0 372.557 3.097 20 0 FGADRP CCc1ccc([C@H](CNC(=O)N2CC[C@H]([NH3+])[C@H](C)C2)[NH+](CC)CC)cc1 ZINC000418215423 500250633 /nfs/dbraw/zinc/25/06/33/500250633.db2.gz MXBYOKLNSQDBDL-UXPWSPDFSA-N 2 0 360.546 3.011 20 0 FGADRP CC[NH2+]CC1CC[NH+](CCC(=O)Nc2ccc(Br)cc2)CC1 ZINC000430562130 500254879 /nfs/dbraw/zinc/25/48/79/500254879.db2.gz CIFRYTKOEWUBKA-UHFFFAOYSA-N 2 0 368.319 3.099 20 0 FGADRP [NH3+]CCCOC1CC[NH+](Cc2ccc(C(=O)Nc3ccccc3)cc2)CC1 ZINC000430564842 500255416 /nfs/dbraw/zinc/25/54/16/500255416.db2.gz CTLACFCRPRJHIZ-UHFFFAOYSA-N 2 0 367.493 3.269 20 0 FGADRP C[C@H]([NH3+])[C@@H]1CCC[N@H+](CCC(=O)N[C@@H](c2cccs2)c2ccccc2)C1 ZINC000430601409 500260935 /nfs/dbraw/zinc/26/09/35/500260935.db2.gz TZWUSUISPVSBRL-YRISNDGFSA-N 2 0 371.550 3.403 20 0 FGADRP C[C@@H]1C[C@@H](N(C)C(=O)NCC[C@@H]2CCC[NH2+]C2)CC[N@@H+]1Cc1ccccc1 ZINC000418355393 500267618 /nfs/dbraw/zinc/26/76/18/500267618.db2.gz BKEMAOPBRKTFES-DYXWJJEUSA-N 2 0 372.557 3.071 20 0 FGADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000418457125 500278801 /nfs/dbraw/zinc/27/88/01/500278801.db2.gz GNRMXFXHYSVELU-KRWDZBQOSA-N 2 0 368.525 3.500 20 0 FGADRP COCC[N@H+](C)CC[C@H](N[C@@H]1C[C@H]([NH3+])c2ccccc21)c1ccccc1 ZINC000422707515 500287870 /nfs/dbraw/zinc/28/78/70/500287870.db2.gz AGQHYBXSFIAMJO-FDFHNCONSA-N 2 0 353.510 3.430 20 0 FGADRP CN(CCC[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ccccc1F ZINC000422716666 500289230 /nfs/dbraw/zinc/28/92/30/500289230.db2.gz NPUSQOATNXISPD-SIKLNZKXSA-N 2 0 369.484 3.498 20 0 FGADRP C[C@H](CC(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1)[C@@H]1CCC[NH2+]C1 ZINC000430812189 500289313 /nfs/dbraw/zinc/28/93/13/500289313.db2.gz UWVZAEZGDKLESQ-PDOICOKGSA-N 2 0 363.571 3.273 20 0 FGADRP COc1cccc(OC)c1Oc1ccc(C[NH2+][C@@H]2CCC[C@@H]2C[NH3+])cn1 ZINC000422719727 500289472 /nfs/dbraw/zinc/28/94/72/500289472.db2.gz MHTGIQNPEPAJCM-HZPDHXFCSA-N 2 0 357.454 3.108 20 0 FGADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000422719270 500289583 /nfs/dbraw/zinc/28/95/83/500289583.db2.gz YFWXEYVNZCPNOF-JLJPHGGASA-N 2 0 352.320 3.135 20 0 FGADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]CC1(c2ccc(Br)cc2)CCC1 ZINC000422731253 500291629 /nfs/dbraw/zinc/29/16/29/500291629.db2.gz GPUFHYGOINUUSX-JQFCIGGWSA-N 2 0 367.331 3.213 20 0 FGADRP OC1CC[NH+](Cc2ccc(C[NH2+][C@@H]3CCC[C@H]3[C@H]3CCCC[NH2+]3)cc2)CC1 ZINC000422746966 500293800 /nfs/dbraw/zinc/29/38/00/500293800.db2.gz XSPXGTPYSXPREL-YTFSRNRJSA-N 3 0 371.569 3.044 20 0 FGADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CC1CCN(C(=O)c2ccccc2)CC1 ZINC000422758807 500294305 /nfs/dbraw/zinc/29/43/05/500294305.db2.gz JDELKGWMJOVBDI-MRXNPFEDSA-N 2 0 366.509 3.052 20 0 FGADRP C[C@H](NC[C@@H]1CCC[N@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1)C1C[NH2+]C1 ZINC000422757735 500294594 /nfs/dbraw/zinc/29/45/94/500294594.db2.gz IXBDFHKFTYBYRB-DHSIGJKJSA-N 2 0 355.448 3.286 20 0 FGADRP CCCN(CC[NH+]1CCCCCC1)C(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000418598789 500295533 /nfs/dbraw/zinc/29/55/33/500295533.db2.gz ZERDTGKWNMYHIY-UHFFFAOYSA-N 2 0 358.530 3.087 20 0 FGADRP COc1ccc([C@H](NC[C@H](c2cccs2)[NH+](C)C)[C@@H]2CCC[NH2+]2)cc1 ZINC000422771246 500295655 /nfs/dbraw/zinc/29/56/55/500295655.db2.gz XGVQSXIRWOSNLC-NSHGMRRFSA-N 2 0 359.539 3.442 20 0 FGADRP c1ccc(CN2CC[C@H]([NH2+][C@@H]3C[C@]4(CC[NH2+]C4)Oc4ccccc43)C2)cc1 ZINC000422772062 500295733 /nfs/dbraw/zinc/29/57/33/500295733.db2.gz YCJJIYGADBKWGG-WPYKKVEZSA-N 2 0 363.505 3.106 20 0 FGADRP C[C@@H]1C[C@@H](N(C)C(=O)N[C@@H](C[NH3+])C2CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000418602959 500295957 /nfs/dbraw/zinc/29/59/57/500295957.db2.gz WFLFQBOSQSKOOQ-QMMLZNLJSA-N 2 0 372.557 3.198 20 0 FGADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]CC1(c2cccc(C(F)(F)F)c2)CCC1 ZINC000422786073 500297659 /nfs/dbraw/zinc/29/76/59/500297659.db2.gz OERUJCPKGPDERA-RRQGHBQHSA-N 2 0 356.432 3.469 20 0 FGADRP Cc1cccc(COc2ccc(C[NH2+][C@@H]3CCOC[C@H]3[C@@H](C)[NH3+])cc2)c1 ZINC000422841557 500304871 /nfs/dbraw/zinc/30/48/71/500304871.db2.gz DCKGTGBHYISXJO-VOQZNFBZSA-N 2 0 354.494 3.416 20 0 FGADRP CCOc1ccc(C[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1OC ZINC000422847555 500305385 /nfs/dbraw/zinc/30/53/85/500305385.db2.gz RTAPNUPKWRBGOQ-AVRDEDQJSA-N 2 0 368.477 3.439 20 0 FGADRP COc1ccccc1N1CC[C@H](C[NH2+][C@@H](C)c2ccc(C[NH3+])nc2C)C1 ZINC000422850812 500305425 /nfs/dbraw/zinc/30/54/25/500305425.db2.gz ODKAYPFCEKSDDG-DOTOQJQBSA-N 2 0 354.498 3.034 20 0 FGADRP C[C@@H](CCCC[NH3+])NC(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000418675196 500305947 /nfs/dbraw/zinc/30/59/47/500305947.db2.gz QMYRUMVBPRQUST-IBGZPJMESA-N 2 0 372.557 3.202 20 0 FGADRP C[NH2+]CC1CC[NH+]([C@@H](C)C(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)CC1 ZINC000430918546 500306746 /nfs/dbraw/zinc/30/67/46/500306746.db2.gz HTWNFEDQQWBXAO-IRXDYDNUSA-N 2 0 357.542 3.063 20 0 FGADRP CCCC[C@H]([NH2+][C@H](C)C[C@H](C)[NH3+])C(=O)Nc1cccc(N2CCCC2)c1 ZINC000422859592 500306872 /nfs/dbraw/zinc/30/68/72/500306872.db2.gz KMEONLVJUXRBQL-QKLQHJQFSA-N 2 0 360.546 3.500 20 0 FGADRP C[C@H](CCC[NH3+])[NH2+][C@@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000422873056 500307889 /nfs/dbraw/zinc/30/78/89/500307889.db2.gz JQDWMAVIDVLWEI-ZYHUDNBSSA-N 2 0 350.816 3.050 20 0 FGADRP Cc1ccc(C[NH2+][C@H](C)c2ccc(C[NH3+])nc2C)c(O[C@H]2CCOC2)c1 ZINC000422872277 500308311 /nfs/dbraw/zinc/30/83/11/500308311.db2.gz GLIKMFQXJIYGAS-BEFAXECRSA-N 2 0 355.482 3.176 20 0 FGADRP CCOC(=O)C1([C@@H](C)[NH2+][C@@H](CC)c2ccccc2OCC)CC[NH2+]CC1 ZINC000422877249 500308596 /nfs/dbraw/zinc/30/85/96/500308596.db2.gz HNMJRQJPASIWGG-AEFFLSMTSA-N 2 0 362.514 3.447 20 0 FGADRP COc1cc(OC)cc(N2CC[C@H](C[NH2+][C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)C2)c1 ZINC000422874920 500308768 /nfs/dbraw/zinc/30/87/68/500308768.db2.gz OFXICWGUSVVHDY-YPVJZLTNSA-N 2 0 373.541 3.040 20 0 FGADRP C[C@H]([NH3+])C1CC[NH+](CC(=O)N[C@H](c2cccs2)c2ccccc2)CC1 ZINC000430931033 500309014 /nfs/dbraw/zinc/30/90/14/500309014.db2.gz CCBTVDMPCSWNIS-YWZLYKJASA-N 2 0 357.523 3.013 20 0 FGADRP C[C@@H]([NH2+]Cc1ccc(NC(=O)CCCOc2ccccc2)cc1)C1C[NH2+]C1 ZINC000422878030 500309449 /nfs/dbraw/zinc/30/94/49/500309449.db2.gz IRQIDCMMUBRSIU-QGZVFWFLSA-N 2 0 367.493 3.182 20 0 FGADRP C[C@@H](CCCC[NH3+])[NH2+][C@@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000422880301 500309606 /nfs/dbraw/zinc/30/96/06/500309606.db2.gz WRVIYXAJVJVPFN-WCQYABFASA-N 2 0 364.843 3.440 20 0 FGADRP C[C@H](C(=O)NC(c1ccccc1)c1ccccc1)[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000430934388 500309661 /nfs/dbraw/zinc/30/96/61/500309661.db2.gz MDNLMPUOWXRJEL-ZWKOTPCHSA-N 2 0 365.521 3.340 20 0 FGADRP C[C@@H]([NH2+]C[C@@H]1CCN(c2cccc(Br)c2)C1)[C@H]1CCCC[NH2+]1 ZINC000422903521 500313993 /nfs/dbraw/zinc/31/39/93/500313993.db2.gz WHPITGQNKUDPSX-RVKKMQEKSA-N 2 0 366.347 3.396 20 0 FGADRP CC(C)Oc1ccc(C[NH2+][C@@H]2CCOC[C@@H]2[C@@H](C)[NH3+])c(C(F)(F)F)c1 ZINC000422902550 500314104 /nfs/dbraw/zinc/31/41/04/500314104.db2.gz MXFHYUMSJGOBFX-SRCQZFHVSA-N 2 0 360.420 3.335 20 0 FGADRP c1cc(OCC[NH+]2CCCC2)ccc1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000422907658 500314771 /nfs/dbraw/zinc/31/47/71/500314771.db2.gz BWRHTOUQACFDGY-YPAWHYETSA-N 3 0 357.542 3.172 20 0 FGADRP COC[C@@H](CCC[NH3+])[NH2+]C[C@H]1CCCCN1Cc1cccc(Cl)c1 ZINC000422909229 500315203 /nfs/dbraw/zinc/31/52/03/500315203.db2.gz NQRRHQZOIPMKKB-RTBURBONSA-N 2 0 353.938 3.038 20 0 FGADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000422913387 500315749 /nfs/dbraw/zinc/31/57/49/500315749.db2.gz PXANQTIRHMVYSD-QGZVFWFLSA-N 3 0 368.525 3.174 20 0 FGADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]CCOc1ncc(C(F)(F)F)cc1Cl ZINC000422917601 500315994 /nfs/dbraw/zinc/31/59/94/500315994.db2.gz GNDBLIOLZXVXIG-ZWNOBZJWSA-N 2 0 351.800 3.240 20 0 FGADRP CCOC(=O)COc1ccc(CC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)cc1 ZINC000422922441 500316700 /nfs/dbraw/zinc/31/67/00/500316700.db2.gz STBFNJGHXVEPIJ-PCCBWWKXSA-N 2 0 374.525 3.071 20 0 FGADRP CCOc1ccc([C@H](C)NC(=O)CCC[NH2+][C@H]2CCCC[C@H]2C[NH3+])cc1 ZINC000422930734 500318484 /nfs/dbraw/zinc/31/84/84/500318484.db2.gz VRVBLBOXWTVMBI-QRFRQXIXSA-N 2 0 361.530 3.150 20 0 FGADRP CC[NH+]1CCN(Cc2ccc(N[C@@H](Cc3ccccc3)[C@@H](C)[NH3+])cc2)CC1 ZINC000422927671 500318611 /nfs/dbraw/zinc/31/86/11/500318611.db2.gz ZNLFWXXMPWSSDK-XXBNENTESA-N 2 0 366.553 3.195 20 0 FGADRP C[C@H]1C[NH+](CCC2CC[NH+](CCOc3ccc(F)cc3)CC2)C[C@H](C)O1 ZINC000426778687 500319564 /nfs/dbraw/zinc/31/95/64/500319564.db2.gz ZWOYJTORDGCGJP-ROUUACIJSA-N 2 0 364.505 3.416 20 0 FGADRP CCOC(=O)C1([C@H](C)[NH2+]CCOc2cccc3ccccc32)CC[NH2+]CC1 ZINC000422938554 500319722 /nfs/dbraw/zinc/31/97/22/500319722.db2.gz HDENDLCKVYDVKB-KRWDZBQOSA-N 2 0 370.493 3.130 20 0 FGADRP CC(C)n1cc2c(n1)C[C@H]([NH2+][C@H]1C[C@]3(CC[NH2+]C3)Oc3ccccc31)CC2 ZINC000422948107 500321545 /nfs/dbraw/zinc/32/15/45/500321545.db2.gz ZSBAOIZRACZICI-AGHHOFFYSA-N 2 0 366.509 3.167 20 0 FGADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CCOc1ccc(Br)cc1 ZINC000422949027 500321998 /nfs/dbraw/zinc/32/19/98/500321998.db2.gz UCPGXABKMJHISJ-LBPRGKRZSA-N 2 0 364.287 3.341 20 0 FGADRP COc1ccc(Br)cc1C[NH2+][C@@H](C)c1ccc(C[NH3+])nc1C ZINC000422950800 500322509 /nfs/dbraw/zinc/32/25/09/500322509.db2.gz ZAFBKGFJYVPIER-NSHDSACASA-N 2 0 364.287 3.471 20 0 FGADRP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@H](C[NH3+])c1ccccc1 ZINC000431018857 500324367 /nfs/dbraw/zinc/32/43/67/500324367.db2.gz JRKPMAMXBSMTOU-IFMALSPDSA-N 2 0 365.521 3.100 20 0 FGADRP O=C(CC[NH+]1CCC2(CC[NH2+]C2)CC1)Nc1cccc(C(F)(F)F)c1 ZINC000431021232 500324918 /nfs/dbraw/zinc/32/49/18/500324918.db2.gz BBTMWFMKFRCDIN-UHFFFAOYSA-N 2 0 355.404 3.110 20 0 FGADRP C[C@@H]1C[NH+](CCC2CC[NH+](CCOc3ccccc3F)CC2)C[C@@H](C)O1 ZINC000426821466 500325116 /nfs/dbraw/zinc/32/51/16/500325116.db2.gz SXSAVFMZVLYXMT-QZTJIDSGSA-N 2 0 364.505 3.416 20 0 FGADRP COc1cc([C@H](C)[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)ccc1OCCO ZINC000422970082 500325212 /nfs/dbraw/zinc/32/52/12/500325212.db2.gz FGORKKBKKZFMDG-DSLXNQLJSA-N 2 0 362.514 3.028 20 0 FGADRP CCN(C(=O)C[NH+]1CCC2(CC[NH2+]C2)CC1)c1cccc2ccccc21 ZINC000431030286 500326069 /nfs/dbraw/zinc/32/60/69/500326069.db2.gz LEYCZDFBWMEUNX-UHFFFAOYSA-N 2 0 351.494 3.268 20 0 FGADRP O=C(NCc1ccco1)c1cccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000422977474 500326073 /nfs/dbraw/zinc/32/60/73/500326073.db2.gz WUXSIHXEYSXDOI-PCCBWWKXSA-N 2 0 367.493 3.220 20 0 FGADRP COc1cccc(-c2nc(C[NH+]3CCC4(CC[NH2+]C4)CC3)cs2)c1OC ZINC000431035432 500326458 /nfs/dbraw/zinc/32/64/58/500326458.db2.gz ANZYQBUZPRXTAW-UHFFFAOYSA-N 2 0 373.522 3.403 20 0 FGADRP OCCC[C@H]([NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ccccc1 ZINC000422979091 500326888 /nfs/dbraw/zinc/32/68/88/500326888.db2.gz LGJKPDJKDLRMIQ-JAXLGGSGSA-N 2 0 352.478 3.346 20 0 FGADRP CN1CC[C@H]([NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)[C@@H]1c1ccccc1 ZINC000423010970 500330395 /nfs/dbraw/zinc/33/03/95/500330395.db2.gz HPXOMMYNVQHJKA-PABCKOPISA-N 2 0 363.505 3.277 20 0 FGADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]CCc1csc(-c2ccc(Cl)cc2)n1 ZINC000423017885 500331511 /nfs/dbraw/zinc/33/15/11/500331511.db2.gz XGHRLUXELGQEAW-VUCTXSBTSA-N 2 0 365.930 3.348 20 0 FGADRP [NH3+][C@H]1C[C@H]([NH2+]CCc2ccc(OCC(F)(F)F)nc2)c2ccccc21 ZINC000423045940 500335114 /nfs/dbraw/zinc/33/51/14/500335114.db2.gz CXTWSBGCLUPJDX-HOTGVXAUSA-N 2 0 351.372 3.300 20 0 FGADRP C[C@H](CCC[NH3+])[NH2+]C1CCN(C(=O)c2ccccc2C(F)(F)F)CC1 ZINC000423050775 500335814 /nfs/dbraw/zinc/33/58/14/500335814.db2.gz MAQUUVXHXUTUIW-CYBMUJFWSA-N 2 0 357.420 3.027 20 0 FGADRP C[C@@H](CCC[NH3+])[NH2+]Cc1cc(Br)ccc1Br ZINC000423051291 500335866 /nfs/dbraw/zinc/33/58/66/500335866.db2.gz MZLCIUWEHUHSRU-VIFPVBQESA-N 2 0 350.098 3.429 20 0 FGADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]CC1(c2cc(F)cc(C(F)(F)F)c2)CC1 ZINC000423058720 500336693 /nfs/dbraw/zinc/33/66/93/500336693.db2.gz KGPNTHAQXZJJMB-KNXALSJPSA-N 2 0 360.395 3.218 20 0 FGADRP CCOC(=O)C1([C@@H](C)[NH2+]Cc2ccc(-c3ccco3)cc2F)CC[NH2+]CC1 ZINC000423088796 500340663 /nfs/dbraw/zinc/34/06/63/500340663.db2.gz SWCCUKPLNKSIGQ-OAHLLOKOSA-N 2 0 374.456 3.497 20 0 FGADRP [NH3+][C@@H]1C[C@H]([NH2+]C2CCN(C(=O)c3cc(Cl)c[nH]3)CC2)c2ccccc21 ZINC000423115663 500344561 /nfs/dbraw/zinc/34/45/61/500344561.db2.gz YFYCIPNIVGGIJU-SJORKVTESA-N 2 0 358.873 3.007 20 0 FGADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CCc1c[nH]c2cccc(Br)c12 ZINC000423119482 500344586 /nfs/dbraw/zinc/34/45/86/500344586.db2.gz CNWZLEPBYXPGJJ-DOMZBBRYSA-N 2 0 350.304 3.451 20 0 FGADRP COC[C@@H](CCC[NH3+])[NH2+][C@H]1c2cc(Br)ccc2CC1(C)C ZINC000423123157 500345104 /nfs/dbraw/zinc/34/51/04/500345104.db2.gz DHZCTRSEECJKGR-ZBFHGGJFSA-N 2 0 355.320 3.416 20 0 FGADRP CCOC(=O)C1([C@@H](C)[NH2+]Cc2ccc(C(C)(F)F)cc2)CC[NH2+]CC1 ZINC000423132268 500346600 /nfs/dbraw/zinc/34/66/00/500346600.db2.gz IWGRQZGKSDIJNF-CQSZACIVSA-N 2 0 354.441 3.209 20 0 FGADRP CC[C@H]([NH2+][C@@H]1CCc2nc(-c3ccc(F)cc3F)cn2C1)[C@@H]1CCC[NH2+]1 ZINC000423156007 500349362 /nfs/dbraw/zinc/34/93/62/500349362.db2.gz RMOREMGGWOTDGO-JLSDUUJJSA-N 2 0 360.452 3.263 20 0 FGADRP Cc1cc(OCCC[C@H](C)[NH2+]CCCN2CC[NH2+]CC2)ccc1Cl ZINC000423195640 500354249 /nfs/dbraw/zinc/35/42/49/500354249.db2.gz ZVXUMUUEHVLFDV-KRWDZBQOSA-N 2 0 353.938 3.081 20 0 FGADRP C[C@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[NH2+]C1CC[NH2+]CC1 ZINC000423193061 500354332 /nfs/dbraw/zinc/35/43/32/500354332.db2.gz WJQIIKYBMXDZMI-SNVBAGLBSA-N 2 0 363.811 3.418 20 0 FGADRP C[NH2+]CCC[NH2+][C@@H](C)CC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000423200779 500354867 /nfs/dbraw/zinc/35/48/67/500354867.db2.gz NEDBEAXALZDRNT-JTQLQIEISA-N 2 0 351.800 3.275 20 0 FGADRP C[C@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1ccc(OC[C@@H]2CCCCO2)c(F)c1 ZINC000423219104 500355858 /nfs/dbraw/zinc/35/58/58/500355858.db2.gz WDHVCEYKHLALOW-BQFCYCMXSA-N 2 0 350.478 3.424 20 0 FGADRP CCc1ccc([C@H](CNC(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)[NH+](CC)CC)cc1 ZINC000431281415 500358523 /nfs/dbraw/zinc/35/85/23/500358523.db2.gz FNMQVXGKHMAONW-WMQCIHAUSA-N 2 0 374.573 3.414 20 0 FGADRP CCC([NH3+])(CC)C[NH2+][C@H]1CCCC[C@@H](N2C(=O)c3ccccc3C2=O)C1 ZINC000423281757 500361246 /nfs/dbraw/zinc/36/12/46/500361246.db2.gz BNVROAHQQMZUAB-JKSUJKDBSA-N 2 0 357.498 3.091 20 0 FGADRP Brc1cccc([C@@H]([NH2+]CC2=CC[NH2+]CC2)C2CCOCC2)c1 ZINC000423346382 500365772 /nfs/dbraw/zinc/36/57/72/500365772.db2.gz OVNCAXGQIATVTD-SFHVURJKSA-N 2 0 365.315 3.426 20 0 FGADRP C[NH+](C)[C@H](CNC(=O)C(C)(C)[C@@H]([NH3+])c1ccccc1)c1ccc(F)cc1 ZINC000423345850 500365964 /nfs/dbraw/zinc/36/59/64/500365964.db2.gz ZFTVDVQORXKXEF-MOPGFXCFSA-N 2 0 357.473 3.271 20 0 FGADRP O=C(Nc1ccc(Oc2ccncc2)cc1)c1cn[nH]c1[C@H]1CCC[NH2+]C1 ZINC000423353100 500366108 /nfs/dbraw/zinc/36/61/08/500366108.db2.gz CHXXUELMCVFPPD-AWEZNQCLSA-N 2 0 363.421 3.316 20 0 FGADRP CC[N@H+](C)Cc1cccc(CNC(=O)C(C)(C)[C@@H]([NH3+])c2ccccc2)c1 ZINC000423356914 500366935 /nfs/dbraw/zinc/36/69/35/500366935.db2.gz RIXZALDXSSWSTQ-FQEVSTJZSA-N 2 0 353.510 3.481 20 0 FGADRP C[C@H]([NH2+]Cc1ccc2c(c1)C[NH2+]C2)c1ccc(OCc2nccn2C)cc1 ZINC000423365279 500367325 /nfs/dbraw/zinc/36/73/25/500367325.db2.gz AZZVVMMHGJMZMA-INIZCTEOSA-N 2 0 362.477 3.453 20 0 FGADRP C[C@@H]([NH3+])c1ccc(C(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)cc1 ZINC000423362378 500367343 /nfs/dbraw/zinc/36/73/43/500367343.db2.gz SXHZLCOEDJCDKC-IEBWSBKVSA-N 2 0 351.494 3.001 20 0 FGADRP C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]Cc1ccc2c(c1)C[NH2+]C2 ZINC000423384326 500369084 /nfs/dbraw/zinc/36/90/84/500369084.db2.gz KVRYWHSJHSPYPY-OAHLLOKOSA-N 2 0 371.912 3.470 20 0 FGADRP C[C@H](CCc1ccc(I)cc1)[NH2+][C@H]1CC[NH2+]C[C@@H]1C ZINC000423406318 500371126 /nfs/dbraw/zinc/37/11/26/500371126.db2.gz UPRHEQZPHRLJFK-ZENOOKHLSA-N 2 0 372.294 3.200 20 0 FGADRP FC(F)(F)[C@H](C[NH2+][C@H](c1ccc(Cl)cc1)C1CC1)N1CC[NH2+]CC1 ZINC000423404279 500371156 /nfs/dbraw/zinc/37/11/56/500371156.db2.gz ZSGXYWUFXUOOIP-HOTGVXAUSA-N 2 0 361.839 3.217 20 0 FGADRP [NH3+]CCC[C@H]([NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ccccc1 ZINC000423504801 500379658 /nfs/dbraw/zinc/37/96/58/500379658.db2.gz HEPHEOMELMCTQB-TUNNFDKTSA-N 3 0 351.494 3.312 20 0 FGADRP O=C(C[C@H]1CCC[NH2+]CC1)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000427332805 500382082 /nfs/dbraw/zinc/38/20/82/500382082.db2.gz VNFWUOKYMWXHQE-NZQKXSOJSA-N 2 0 369.553 3.281 20 0 FGADRP O=C(C[C@@H]1CCC[NH2+]CC1)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000427332806 500382318 /nfs/dbraw/zinc/38/23/18/500382318.db2.gz VNFWUOKYMWXHQE-OFNKIYASSA-N 2 0 369.553 3.281 20 0 FGADRP Cc1ccccc1NC(=O)C[C@@H](C)[NH2+]CC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000423529599 500383197 /nfs/dbraw/zinc/38/31/97/500383197.db2.gz PZHGEWOEIHAKFZ-DUEJHXMNSA-N 2 0 355.526 3.455 20 0 FGADRP COc1ccc([C@H](C)[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)c(Br)c1 ZINC000423547974 500384212 /nfs/dbraw/zinc/38/42/12/500384212.db2.gz QRHZRZWKYCOPTA-XDQVBPFNSA-N 2 0 353.304 3.496 20 0 FGADRP C[C@H](Cc1ccc(Br)c(F)c1)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000423549536 500384508 /nfs/dbraw/zinc/38/45/08/500384508.db2.gz SKIBBSSOMGJGDT-FAAHXZRKSA-N 2 0 355.295 3.497 20 0 FGADRP CCO[C@H]1C[C@@H]([NH2+]CC2(N)CC[NH+](Cc3ccccc3)CC2)C12CCCC2 ZINC000423557115 500384701 /nfs/dbraw/zinc/38/47/01/500384701.db2.gz INIXCIPAMYKHOF-RTWAWAEBSA-N 2 0 371.569 3.307 20 0 FGADRP c1cc(COc2ccc(C[NH+]3CCC([C@@H]4CC[NH2+]C4)CC3)cc2)ccn1 ZINC000576584255 506192546 /nfs/dbraw/zinc/19/25/46/506192546.db2.gz KNVNAPWFDGYMPQ-OAQYLSRUSA-N 2 0 351.494 3.482 20 0 FGADRP C[C@@]1([NH3+])CCCC[C@@H]1C(=O)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000423753277 500399497 /nfs/dbraw/zinc/39/94/97/500399497.db2.gz XDGFYTVMEJXUOT-IFMALSPDSA-N 2 0 357.542 3.061 20 0 FGADRP C[C@H](C(=O)N1CCC(CCC[NH+]2CCCC2)CC1)[C@H]([NH3+])c1ccccc1 ZINC000423792646 500401896 /nfs/dbraw/zinc/40/18/96/500401896.db2.gz ICHNAGKKWQPYNV-RXVVDRJESA-N 2 0 357.542 3.437 20 0 FGADRP CC(C)CC[NH+]1CCC(CNC(=O)NC[C@@H](C)C[NH+]2CCCCC2)CC1 ZINC000431643479 500402119 /nfs/dbraw/zinc/40/21/19/500402119.db2.gz BAOQMFDNIAJAMI-LJQANCHMSA-N 2 0 366.594 3.166 20 0 FGADRP COc1ccc(C[NH+]2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)c(OC(F)F)c1 ZINC000582348118 506193404 /nfs/dbraw/zinc/19/34/04/506193404.db2.gz KUVIRAFVWWDTDU-DOTOQJQBSA-N 2 0 370.440 3.015 20 0 FGADRP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000573433937 506193446 /nfs/dbraw/zinc/19/34/46/506193446.db2.gz MCFPWASTITXJPG-GOSISDBHSA-N 2 0 360.546 3.200 20 0 FGADRP CC1(C)CCC[NH2+][C@H]1C(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000423839070 500410113 /nfs/dbraw/zinc/41/01/13/500410113.db2.gz CKQRBRNCDATTBP-FQEVSTJZSA-N 2 0 369.553 3.279 20 0 FGADRP O=C(CC[C@@H]1CCC[NH2+]1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000423898317 500417163 /nfs/dbraw/zinc/41/71/63/500417163.db2.gz IEJUKOSECBRXFA-PCCBWWKXSA-N 2 0 355.526 3.032 20 0 FGADRP CC(C)(C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)[C@H]([NH3+])c1ccccc1 ZINC000423906262 500417958 /nfs/dbraw/zinc/41/79/58/500417958.db2.gz PWZDCBWWMQDEQC-DFQSSKMNSA-N 2 0 355.526 3.188 20 0 FGADRP C[N@@H+]1CCCC[C@H]1CCC(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000431755228 500420309 /nfs/dbraw/zinc/42/03/09/500420309.db2.gz QSUXCUYDFAVVTI-FQEVSTJZSA-N 2 0 361.505 3.171 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)CC[C@@H]1CCCC[NH+]1C ZINC000431796899 500425862 /nfs/dbraw/zinc/42/58/62/500425862.db2.gz VPCPAMDMUSYFLB-CTNGQTDRSA-N 2 0 357.542 3.374 20 0 FGADRP C[N@@H+]1CCCC[C@@H]1CCC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000431803272 500426796 /nfs/dbraw/zinc/42/67/96/500426796.db2.gz XJOMBJKKXPIBAW-LJQANCHMSA-N 2 0 361.555 3.438 20 0 FGADRP [NH3+][C@@H]1CCCC[C@@H]1CC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000573442795 506195271 /nfs/dbraw/zinc/19/52/71/506195271.db2.gz QNXPHPFTOOTCHP-YSFYHYPLSA-N 2 0 369.553 3.407 20 0 FGADRP C[NH2+]CC1CC[NH+](Cc2csc(-c3ccc(OC)c(OC)c3)n2)CC1 ZINC000420295498 500436071 /nfs/dbraw/zinc/43/60/71/500436071.db2.gz PIXUMPNUZKGVSU-UHFFFAOYSA-N 2 0 361.511 3.259 20 0 FGADRP CCCc1ccc(C(=O)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000424021536 500438147 /nfs/dbraw/zinc/43/81/47/500438147.db2.gz RJMKACYOKKCQIC-UHFFFAOYSA-N 2 0 365.521 3.362 20 0 FGADRP [NH3+]C1(CNC(=O)CCCC2CCCC2)CC[NH+](Cc2ccccc2)CC1 ZINC000424021526 500438380 /nfs/dbraw/zinc/43/83/80/500438380.db2.gz RGWHLWHCOCWUMS-UHFFFAOYSA-N 2 0 357.542 3.457 20 0 FGADRP COc1ccc([C@@H](C[NH3+])CN2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)cc1 ZINC000420322892 500442002 /nfs/dbraw/zinc/44/20/02/500442002.db2.gz TUBNNWNSAATXKD-FPOVZHCZSA-N 2 0 359.558 3.181 20 0 FGADRP CC[C@@H](NC(=O)C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1)c1ccc(Cl)cc1 ZINC000420330635 500442537 /nfs/dbraw/zinc/44/25/37/500442537.db2.gz BAQGCZZUDKBMCU-MOPGFXCFSA-N 2 0 363.933 3.371 20 0 FGADRP O=C(CC[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1)Nc1cccc2ccccc21 ZINC000420346978 500446079 /nfs/dbraw/zinc/44/60/79/500446079.db2.gz ZPJSQQMSTAYQJI-OALUTQOASA-N 2 0 351.494 3.490 20 0 FGADRP CC1(C)C[NH2+]CC[C@H]1[NH2+]CCC(=O)N[C@H](c1cccs1)c1ccccc1 ZINC000420352849 500446249 /nfs/dbraw/zinc/44/62/49/500446249.db2.gz AYEWYYHHGLNLMX-QUCCMNQESA-N 2 0 371.550 3.322 20 0 FGADRP C[C@@H]1[C@@H](c2ccc(Br)cc2)OCC[N@@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000420366135 500448323 /nfs/dbraw/zinc/44/83/23/500448323.db2.gz FNBASCBSCVLGBH-KEYYUXOJSA-N 2 0 353.304 3.211 20 0 FGADRP Cc1ccc(NC(=O)N2CC[NH+](CC[C@H]3CCC[NH2+]C3)CC2)cc1Cl ZINC000420364938 500448635 /nfs/dbraw/zinc/44/86/35/500448635.db2.gz RNRXRENYXHLXNX-MRXNPFEDSA-N 2 0 364.921 3.188 20 0 FGADRP COc1ccc([C@@H](C[NH3+])C[N@@H+]2CCC[C@@H]2Cn2cnc3ccccc32)cc1 ZINC000420373712 500449990 /nfs/dbraw/zinc/44/99/90/500449990.db2.gz MXYKRJNDFRPDFU-RBUKOAKNSA-N 2 0 364.493 3.252 20 0 FGADRP O=C(CC[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1)Nc1cc(Cl)ccc1Cl ZINC000420378250 500451147 /nfs/dbraw/zinc/45/11/47/500451147.db2.gz QDJZRMYVGYIAJK-KRWDZBQOSA-N 2 0 356.297 3.398 20 0 FGADRP O=C(CC[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1)N[C@H]1CCCc2ccccc21 ZINC000420379918 500452043 /nfs/dbraw/zinc/45/20/43/500452043.db2.gz BOKVQWIGHCLFSO-HLAWJBBLSA-N 2 0 355.526 3.034 20 0 FGADRP [NH3+][C@H]1CCO[C@H](C2CC[NH+](CCOc3ccc4ccccc4c3)CC2)C1 ZINC000420388035 500453413 /nfs/dbraw/zinc/45/34/13/500453413.db2.gz KRBQPLCCAGGOFW-UNMCSNQZSA-N 2 0 354.494 3.437 20 0 FGADRP [NH3+][C@@H]1CCO[C@H](C2CC[NH+](CCOc3ccccc3C(F)(F)F)CC2)C1 ZINC000420390446 500454303 /nfs/dbraw/zinc/45/43/03/500454303.db2.gz NKEQZZSWKBVXQE-QAPCUYQASA-N 2 0 372.431 3.303 20 0 FGADRP Brc1ccc(OCC[N@@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cc1 ZINC000420407822 500456555 /nfs/dbraw/zinc/45/65/55/500456555.db2.gz VMXVCKRPBPGXBY-PBHICJAKSA-N 2 0 353.304 3.292 20 0 FGADRP CCN1CCO[C@H](c2nc(-c3ccc(C[NH+]4CCC(C)CC4)cc3)no2)C1 ZINC000420481959 500462989 /nfs/dbraw/zinc/46/29/89/500462989.db2.gz PHUHUVFAAAYUQA-IBGZPJMESA-N 2 0 370.497 3.362 20 0 FGADRP C[C@@H]1CC2(C[N@@H+]1CC(=O)NCC1(c3ccccc3)CCCC1)CC[NH2+]CC2 ZINC000424283802 500481106 /nfs/dbraw/zinc/48/11/06/500481106.db2.gz CEKQVBOKVGCPSL-LJQANCHMSA-N 2 0 369.553 3.079 20 0 FGADRP Cc1cc(C(=O)C[N@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)c(C)n1CC(F)(F)F ZINC000424301539 500483415 /nfs/dbraw/zinc/48/34/15/500483415.db2.gz XOUVEIVKUXVOBF-AWEZNQCLSA-N 2 0 371.447 3.314 20 0 FGADRP COC(=O)CC1CC([NH2+]Cc2ccccc2C[N@H+](C)Cc2ccco2)C1 ZINC000424310043 500484329 /nfs/dbraw/zinc/48/43/29/500484329.db2.gz JBNGFTFUGXGNBN-UHFFFAOYSA-N 2 0 356.466 3.343 20 0 FGADRP CC(C)O[C@@H](C[N@@H+]1CCN(C2CC[NH+](C)CC2)[C@H](C)C1)c1ccccc1 ZINC000428301310 500492988 /nfs/dbraw/zinc/49/29/88/500492988.db2.gz OWMTZGYBMNAPDC-KNQAVFIVSA-N 2 0 359.558 3.253 20 0 FGADRP CC(C)O[C@H](C[N@@H+]1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1)c1ccccc1 ZINC000428301311 500493091 /nfs/dbraw/zinc/49/30/91/500493091.db2.gz OWMTZGYBMNAPDC-SIKLNZKXSA-N 2 0 359.558 3.253 20 0 FGADRP CC(C)O[C@@H](C[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1)c1ccccc1 ZINC000428308969 500494111 /nfs/dbraw/zinc/49/41/11/500494111.db2.gz KLBASCUVKRAVPX-KORDQABASA-N 2 0 371.569 3.396 20 0 FGADRP C[C@@H]1CC2(C[N@@H+]1Cc1cc(Br)cc3c1OCC3)CC[NH2+]CC2 ZINC000424386490 500495043 /nfs/dbraw/zinc/49/50/43/500495043.db2.gz XFEIOSHMWGOVLV-CYBMUJFWSA-N 2 0 365.315 3.348 20 0 FGADRP CC(C)c1ncc(CN(C)C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)s1 ZINC000428438620 500509802 /nfs/dbraw/zinc/50/98/02/500509802.db2.gz KKGHIXWSWWTUJK-FQEVSTJZSA-N 2 0 359.539 3.335 20 0 FGADRP CC[C@@H](CO)[N@H+](Cc1ccccc1)Cc1cccc(CN2CCOCC2)c1 ZINC000420956359 500540756 /nfs/dbraw/zinc/54/07/56/500540756.db2.gz ZIVLVJWHTWBPRS-QHCPKHFHSA-N 2 0 368.521 3.292 20 0 FGADRP CC[N@@H+]1CCCN(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCC(C)CC2)CC1 ZINC000428694402 500544784 /nfs/dbraw/zinc/54/47/84/500544784.db2.gz BDQCIDYOASVRGM-NRFANRHFSA-N 2 0 372.557 3.197 20 0 FGADRP CC[NH+]1CCC(N2CCC[N@H+](CCCc3ccccc3OC)CC2)CC1 ZINC000420979335 500546046 /nfs/dbraw/zinc/54/60/46/500546046.db2.gz KMBLJMPHVSCNPN-UHFFFAOYSA-N 2 0 359.558 3.120 20 0 FGADRP CCc1cccc(OCC[N@H+]2CCCN(C3CC[NH+](CC)CC3)CC2)c1 ZINC000421020554 500556309 /nfs/dbraw/zinc/55/63/09/500556309.db2.gz ZJPKVBFAFQYHFB-UHFFFAOYSA-N 2 0 359.558 3.120 20 0 FGADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000428856224 500566278 /nfs/dbraw/zinc/56/62/78/500566278.db2.gz LPLNOLGAELSFEA-HLAWJBBLSA-N 2 0 372.557 3.213 20 0 FGADRP C[NH+]1CCC(N2CCC([NH2+]Cc3nc4ccc(F)cc4s3)CC2)CC1 ZINC000428854412 500566303 /nfs/dbraw/zinc/56/63/03/500566303.db2.gz DUUOVDCQGRVGRK-UHFFFAOYSA-N 2 0 362.518 3.084 20 0 FGADRP COC1(C[NH2+]Cc2ccccc2C[NH+]2C[C@@H](C)C[C@H](C)C2)CCOCC1 ZINC000428858935 500567279 /nfs/dbraw/zinc/56/72/79/500567279.db2.gz GRQJGSWAUROEMV-OALUTQOASA-N 2 0 360.542 3.450 20 0 FGADRP Cc1ccccc1C[NH+]1CCC(NC(=O)C[NH+]2CCC(C(C)C)CC2)CC1 ZINC000432822904 500572079 /nfs/dbraw/zinc/57/20/79/500572079.db2.gz OKOHDMHCGUCGLV-UHFFFAOYSA-N 2 0 371.569 3.444 20 0 FGADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000442236828 500573819 /nfs/dbraw/zinc/57/38/19/500573819.db2.gz LRYMFTJFZICDRY-PCODVIEZSA-N 2 0 366.594 3.307 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)[C@H]([NH3+])Cc2ccccc2)CC1 ZINC000573494542 506204279 /nfs/dbraw/zinc/20/42/79/506204279.db2.gz PCYHMWSJPHVQIQ-WIYYLYMNSA-N 2 0 357.542 3.060 20 0 FGADRP [NH3+]C1CC[NH+](CCCC(=O)NCc2ccc(Oc3ccccc3)cc2)CC1 ZINC000433113031 500629351 /nfs/dbraw/zinc/62/93/51/500629351.db2.gz BBJGKJCFIPCSSC-UHFFFAOYSA-N 2 0 367.493 3.298 20 0 FGADRP CN(Cc1cc(Cl)cc(Cl)c1)C(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433116583 500629384 /nfs/dbraw/zinc/62/93/84/500629384.db2.gz MLGBPQBNVOOMBP-UHFFFAOYSA-N 2 0 358.313 3.155 20 0 FGADRP C[C@@H]1CCCCN1C(=O)C[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433126197 500631725 /nfs/dbraw/zinc/63/17/25/500631725.db2.gz NKFBHMGPRSXPQP-HXUWFJFHSA-N 2 0 369.553 3.376 20 0 FGADRP Cc1cc(-c2csc(NC(=O)CCC[NH+]3CCC([NH3+])CC3)n2)c(C)o1 ZINC000433136570 500632997 /nfs/dbraw/zinc/63/29/97/500632997.db2.gz XYVVRZFMUSDEKS-UHFFFAOYSA-N 2 0 362.499 3.162 20 0 FGADRP C[C@H](c1nc2ccccc2s1)N(C)C(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433148422 500634888 /nfs/dbraw/zinc/63/48/88/500634888.db2.gz ATFZEYFKXXUMNE-CQSZACIVSA-N 2 0 360.527 3.019 20 0 FGADRP [NH3+]C1CC[NH+](CCCC(=O)N[C@H]2CC3(CCCC3)Oc3ccccc32)CC1 ZINC000433150945 500635135 /nfs/dbraw/zinc/63/51/35/500635135.db2.gz YANNCFPGDBDJKQ-IBGZPJMESA-N 2 0 371.525 3.143 20 0 FGADRP [NH3+]C1CC[NH+](CCCC(=O)N2CCC[C@@H]2Cc2ccccc2Cl)CC1 ZINC000433152386 500635778 /nfs/dbraw/zinc/63/57/78/500635778.db2.gz RCJLCYFMTCRIDI-GOSISDBHSA-N 2 0 363.933 3.077 20 0 FGADRP [NH3+]C1CC[NH+](CCCC(=O)N[C@@H](c2cccc(F)c2)C2CCCC2)CC1 ZINC000433158509 500636759 /nfs/dbraw/zinc/63/67/59/500636759.db2.gz PYASSTQUSQCECX-OAQYLSRUSA-N 2 0 361.505 3.377 20 0 FGADRP C[C@@H]1C[C@H]1[C@H](NC(=O)CCC[NH+]1CCC([NH3+])CC1)c1ccc(Cl)cc1 ZINC000433168092 500638227 /nfs/dbraw/zinc/63/82/27/500638227.db2.gz QGNHRYBPQXJCON-LXGCGDOSSA-N 2 0 363.933 3.357 20 0 FGADRP CCOc1ccc(Cl)cc1[C@H](C)[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000442879836 500638654 /nfs/dbraw/zinc/63/86/54/500638654.db2.gz WZLKGFQYPBLSOE-HNNXBMFYSA-N 2 0 353.938 3.415 20 0 FGADRP Cc1cc(Cl)cc2c1OCCC[C@@H]2[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000442880293 500638797 /nfs/dbraw/zinc/63/87/97/500638797.db2.gz XHGHHEDGKSNHFT-SFHVURJKSA-N 2 0 365.949 3.478 20 0 FGADRP Clc1ccc(-n2cc(C[N@H+]3CC[C@H]4C[NH2+]C[C@H]4CC3)nn2)cc1Cl ZINC000570632509 506208458 /nfs/dbraw/zinc/20/84/58/506208458.db2.gz QTEFGEFCLYOPJI-BETUJISGSA-N 2 0 366.296 3.006 20 0 FGADRP C[NH+](C)CC1CCC(NC(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)CC1 ZINC000437540733 500658269 /nfs/dbraw/zinc/65/82/69/500658269.db2.gz WEQKPLMVLQITRO-AFMYVXGZSA-N 2 0 364.578 3.203 20 0 FGADRP CSCC1CCC([NH2+][C@@H](CN2CC[NH+](C)CC2)c2ccccc2)CC1 ZINC000570640161 506209181 /nfs/dbraw/zinc/20/91/81/506209181.db2.gz IQSXEYQCNPLOKR-MNLRITNHSA-N 2 0 361.599 3.487 20 0 FGADRP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](C[C@@H](O)Cc2ccc(C(F)(F)F)cc2)C1 ZINC000437575774 500662660 /nfs/dbraw/zinc/66/26/60/500662660.db2.gz BGMBAAOITOSVFS-HKUYNNGSSA-N 2 0 370.459 3.273 20 0 FGADRP Cc1ccc([C@@H](NC(=O)C[N@@H+]2CCC[C@@H](CC[NH3+])C2)c2cccs2)cc1 ZINC000443055347 500669941 /nfs/dbraw/zinc/66/99/41/500669941.db2.gz BGLVOXFOMPGWBC-LAUBAEHRSA-N 2 0 371.550 3.323 20 0 FGADRP CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443058422 500670490 /nfs/dbraw/zinc/67/04/90/500670490.db2.gz AAGVMXLENZXTAZ-ZDUSSCGKSA-N 2 0 358.313 3.013 20 0 FGADRP CC[C@@H]([NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1)C12CC3CC(CC(C3)C1)C2 ZINC000437646707 500675223 /nfs/dbraw/zinc/67/52/23/500675223.db2.gz PGWHLTLFEIVPFW-WWFGTJDESA-N 2 0 373.585 3.314 20 0 FGADRP O=C(NC[C@H]1CCC[N@@H+]1C1CCCCC1)N[C@H]1CC[NH+](C2CCCC2)C1 ZINC000437701441 500683465 /nfs/dbraw/zinc/68/34/65/500683465.db2.gz FSOKTZZUBZOUGS-FXAWDEMLSA-N 2 0 362.562 3.100 20 0 FGADRP CC[NH+]1CCC(CCNC(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)CC1 ZINC000437809209 500700045 /nfs/dbraw/zinc/70/00/45/500700045.db2.gz JQGKJKUOWUIGQA-HXUWFJFHSA-N 2 0 364.578 3.205 20 0 FGADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)NC[C@@H](C)[NH+](C)Cc2ccccc2)C1 ZINC000448211736 500733479 /nfs/dbraw/zinc/73/34/79/500733479.db2.gz DYTZEUHWDNXQKD-TZIWHRDSSA-N 2 0 374.573 3.174 20 0 FGADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)NCC2([NH+](C)C)CCCCCC2)[C@H](C)C1 ZINC000448465231 500762409 /nfs/dbraw/zinc/76/24/09/500762409.db2.gz HNVIBFUNWSJZLC-QZTJIDSGSA-N 2 0 352.567 3.013 20 0 FGADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N2CC[NH+](C3CCCCC3)CC2)C1 ZINC000448469126 500762429 /nfs/dbraw/zinc/76/24/29/500762429.db2.gz XRAVWHXWRBSFRM-LJQANCHMSA-N 2 0 364.578 3.014 20 0 FGADRP CCN(CCC[NH+]1CCCC1)C(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000438329680 500770918 /nfs/dbraw/zinc/77/09/18/500770918.db2.gz WSMAOJYTQPOFJY-HXUWFJFHSA-N 2 0 364.578 3.301 20 0 FGADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NCC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000439228612 500872251 /nfs/dbraw/zinc/87/22/51/500872251.db2.gz HPWDJQLFGLAKKB-OKYOBFRVSA-N 2 0 364.578 3.011 20 0 FGADRP C[C@@H](C[NH+]1CCC(C[NH+]2CCCC2)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000449012061 500896819 /nfs/dbraw/zinc/89/68/19/500896819.db2.gz XYOJYHNSJPDMDQ-KRWDZBQOSA-N 2 0 364.555 3.001 20 0 FGADRP CCn1nnc(C)c1C[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000449038739 500907996 /nfs/dbraw/zinc/90/79/96/500907996.db2.gz WXORRTZFRWJLHS-UHFFFAOYSA-N 2 0 353.514 3.095 20 0 FGADRP CC[NH+]1CCN(Cc2ccccc2C[NH2+]Cc2cc3cccnc3o2)CC1 ZINC000449081302 500919540 /nfs/dbraw/zinc/91/95/40/500919540.db2.gz DGFDCBTWBAJSFY-UHFFFAOYSA-N 2 0 364.493 3.255 20 0 FGADRP CCN(CC)C(=O)CCC[NH2+]C1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000449082305 500920117 /nfs/dbraw/zinc/92/01/17/500920117.db2.gz MHLQGYFQSDENTB-IBGZPJMESA-N 2 0 359.558 3.320 20 0 FGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]Cc2cccc3c(OC)cccc23)CC1 ZINC000449129410 500931511 /nfs/dbraw/zinc/93/15/11/500931511.db2.gz CBNUWBYVQKFDKV-SFHVURJKSA-N 2 0 355.526 3.212 20 0 FGADRP C[C@@H](C[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1)CN1CC[NH+](C)CC1 ZINC000449131966 500931779 /nfs/dbraw/zinc/93/17/79/500931779.db2.gz QTCCDIYCRCDOGO-IBGZPJMESA-N 3 0 366.638 3.139 20 0 FGADRP CN(C)CC[NH+]1CCC(C[NH2+]C2CCC(OC3CCCC3)CC2)CC1 ZINC000449133007 500931986 /nfs/dbraw/zinc/93/19/86/500931986.db2.gz WZADKNPHLZTEOB-UHFFFAOYSA-N 2 0 351.579 3.120 20 0 FGADRP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+]Cc1cnc(-c2ccccc2F)s1 ZINC000449149198 500935313 /nfs/dbraw/zinc/93/53/13/500935313.db2.gz MNGNPDWWGZGMNT-HNNXBMFYSA-N 2 0 363.502 3.276 20 0 FGADRP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)CC1 ZINC000449148025 500935446 /nfs/dbraw/zinc/93/54/46/500935446.db2.gz IPBJKRJFXFXPGR-HXUWFJFHSA-N 3 0 367.622 3.492 20 0 FGADRP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]CCOc2ncccc2F)CC1 ZINC000449211222 500948614 /nfs/dbraw/zinc/94/86/14/500948614.db2.gz RRAVRYJXODHRLX-KRWDZBQOSA-N 2 0 357.473 3.285 20 0 FGADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1cnc(CCc2ccccc2)s1 ZINC000449247574 500956752 /nfs/dbraw/zinc/95/67/52/500956752.db2.gz GPWZAQYOJDQCLX-SFHVURJKSA-N 2 0 372.582 3.044 20 0 FGADRP C[NH2+]C[C@H]1CCC[N@H+](Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)C1 ZINC000435373916 500961953 /nfs/dbraw/zinc/96/19/53/500961953.db2.gz GPIUMUKSUQHVAQ-OAHLLOKOSA-N 2 0 352.404 3.323 20 0 FGADRP COc1ccc(C(=O)Nc2cccc(C[N@@H+]3C[C@@H]4CC[C@@H]([NH3+])[C@H]4C3)c2)cc1 ZINC000435379800 500963763 /nfs/dbraw/zinc/96/37/63/500963763.db2.gz NNTYZXGIDJXNMW-DZFGPLHGSA-N 2 0 365.477 3.117 20 0 FGADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3cn(-c4ccccc4)nc3-c3ccncc3)C[C@@H]21 ZINC000435382641 500964304 /nfs/dbraw/zinc/96/43/04/500964304.db2.gz DXYYXDPQCRAEGL-BVYCBKJFSA-N 2 0 373.504 3.494 20 0 FGADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3cn(-c4ccccc4)nc3-c3cccnc3)C[C@@H]21 ZINC000435383895 500964516 /nfs/dbraw/zinc/96/45/16/500964516.db2.gz JUWFIWIUEJMKBC-BVYCBKJFSA-N 2 0 373.504 3.494 20 0 FGADRP C[C@H]([NH3+])[C@@H]1CCCN(Cc2cn(-c3cccc(Cl)c3Cl)nn2)C1 ZINC000435385876 500964806 /nfs/dbraw/zinc/96/48/06/500964806.db2.gz RYHDNAKTMLPPRN-NWDGAFQWSA-N 2 0 354.285 3.133 20 0 FGADRP COc1cccc(-c2nn(C(C)(C)C)cc2C[N@@H+]2CCC[C@H](C[NH3+])C2)c1 ZINC000435384511 500964961 /nfs/dbraw/zinc/96/49/61/500964961.db2.gz MYNMGIPZLMTWCC-MRXNPFEDSA-N 2 0 356.514 3.484 20 0 FGADRP Cc1ccc2ncc(CN(Cc3nccs3)[C@H]3CC34CC[NH2+]CC4)n2c1 ZINC000435426445 500972736 /nfs/dbraw/zinc/97/27/36/500972736.db2.gz ICSCKKHVTUFFCM-KRWDZBQOSA-N 2 0 367.522 3.244 20 0 FGADRP CCOc1cc(C[N@H+](C)[C@H]2CCC[NH2+]CC2)cc(Br)c1OC ZINC000435434609 500976355 /nfs/dbraw/zinc/97/63/55/500976355.db2.gz YUPDSWKXNYGTAZ-AWEZNQCLSA-N 2 0 371.319 3.430 20 0 FGADRP CC[NH+](CC)CCCNC(=O)C1CC[NH+](Cc2cccc(C)c2F)CC1 ZINC000449320387 500977065 /nfs/dbraw/zinc/97/70/65/500977065.db2.gz NTURFESCCJDBIX-UHFFFAOYSA-N 2 0 363.521 3.194 20 0 FGADRP COc1ccc(C[N@H+](C)[C@@H]2CCC[NH2+]CC2)cc1OCc1cccnc1 ZINC000435438953 500977339 /nfs/dbraw/zinc/97/73/39/500977339.db2.gz RWJHIUFVYKBLQW-LJQANCHMSA-N 2 0 355.482 3.243 20 0 FGADRP C[N@H+](CCCN1CC[NH+](C)CC1)Cc1cnc(-c2ccccc2F)s1 ZINC000449325248 500977984 /nfs/dbraw/zinc/97/79/84/500977984.db2.gz LFEXFCRJTLSVTH-UHFFFAOYSA-N 2 0 362.518 3.019 20 0 FGADRP CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000440184132 500985106 /nfs/dbraw/zinc/98/51/06/500985106.db2.gz HRDPNLDOKPKGBC-UXHICEINSA-N 2 0 364.578 3.157 20 0 FGADRP CC[NH+](CC)CC1CCN(C(=O)NC[C@@H]2CCCC[N@@H+]2CC(C)C)CC1 ZINC000440181221 500985354 /nfs/dbraw/zinc/98/53/54/500985354.db2.gz CCQCUQNSOVUKKL-FQEVSTJZSA-N 2 0 366.594 3.260 20 0 FGADRP OC[C@@H]([C@H]([NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12)C1CC1)C1CC1 ZINC000449501463 501019348 /nfs/dbraw/zinc/01/93/48/501019348.db2.gz FNACVFZFPKGJGO-PFDCGNQRSA-N 2 0 354.538 3.284 20 0 FGADRP FC(F)(F)c1cc(C[NH2+]CC2CC[NH+](Cc3cccs3)CC2)[nH]n1 ZINC000440820742 501052157 /nfs/dbraw/zinc/05/21/57/501052157.db2.gz GYWOOSREJXBALH-UHFFFAOYSA-N 2 0 358.433 3.492 20 0 FGADRP C[C@H](C(=O)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000440925312 501064096 /nfs/dbraw/zinc/06/40/96/501064096.db2.gz WXFFTUOFTCRQSG-DBXWQHBBSA-N 2 0 369.553 3.071 20 0 FGADRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2ccc(Br)cc2F)CC1 ZINC000449748025 501074511 /nfs/dbraw/zinc/07/45/11/501074511.db2.gz AIDQDNMSYFCPDE-UHFFFAOYSA-N 2 0 372.326 3.094 20 0 FGADRP C[C@H]1C[NH+](CC2CC[NH+](CCCC(=O)c3ccccc3)CC2)C[C@H](C)O1 ZINC000450339482 501094924 /nfs/dbraw/zinc/09/49/24/501094924.db2.gz AQIOLTJJPIZOQR-OALUTQOASA-N 2 0 358.526 3.471 20 0 FGADRP C[NH+](C)CCOc1ccccc1N1CC[NH+](C[C@@H]2CCC(F)(F)C2)CC1 ZINC000450560368 501154622 /nfs/dbraw/zinc/15/46/22/501154622.db2.gz GFRSZYJCZJZUBF-QGZVFWFLSA-N 2 0 367.484 3.184 20 0 FGADRP COc1ccc([C@H](CCn2cncn2)[NH2+]CCC[NH+]2CCC(C)CC2)cc1 ZINC000446756139 501161769 /nfs/dbraw/zinc/16/17/69/501161769.db2.gz DERHTBOQUAJYRE-NRFANRHFSA-N 2 0 371.529 3.130 20 0 FGADRP Cc1ccc([C@@H]([NH2+]CCCC[NH+]2CCN(CCO)CC2)C2CCCC2)cc1 ZINC000446822953 501168807 /nfs/dbraw/zinc/16/88/07/501168807.db2.gz ZVDPASCREWXZOE-QHCPKHFHSA-N 2 0 373.585 3.206 20 0 FGADRP COc1ccc([C@H](CCn2cncn2)[NH2+]C[C@@H]2CCC[N@@H+](C(C)C)C2)cc1 ZINC000446840435 501171438 /nfs/dbraw/zinc/17/14/38/501171438.db2.gz YYRHHMWQJJAKCS-RXVVDRJESA-N 2 0 371.529 3.128 20 0 FGADRP c1ccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH2+]CC4CC[NH+](C5CC5)CC4)[C@@H]3C2)cc1 ZINC000446882387 501176842 /nfs/dbraw/zinc/17/68/42/501176842.db2.gz DHYXHFHSMXTDSY-MDNUFGMLSA-N 3 0 353.554 3.361 20 0 FGADRP CC[C@@H]([NH2+][C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C)c1cccc(F)c1 ZINC000446938161 501183311 /nfs/dbraw/zinc/18/33/11/501183311.db2.gz VMFAZGCDTKVOPW-RTWAWAEBSA-N 2 0 371.500 3.156 20 0 FGADRP FC(F)C(F)(F)COCC[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000446973225 501188923 /nfs/dbraw/zinc/18/89/23/501188923.db2.gz BZXUSMQHHSOETH-BRWVUGGUSA-N 2 0 374.422 3.404 20 0 FGADRP C[NH+](C)Cc1ccc(CNC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)cc1F ZINC000450301228 501229049 /nfs/dbraw/zinc/22/90/49/501229049.db2.gz SXZZVUHKQQSYTF-HXUWFJFHSA-N 2 0 361.505 3.301 20 0 FGADRP CC1(C)OCC[C@H]1[NH2+]Cc1ccc(F)c(C[NH2+][C@H]2CCOC2(C)C)c1 ZINC000451243118 501254238 /nfs/dbraw/zinc/25/42/38/501254238.db2.gz OXDCBXPQUHXLIC-MSOLQXFVSA-N 2 0 350.478 3.140 20 0 FGADRP CCn1ccnc1[C@H](C)[NH2+]CCCC[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000453069012 501262168 /nfs/dbraw/zinc/26/21/68/501262168.db2.gz KIOGWHQIOREFOT-FQEVSTJZSA-N 2 0 369.557 3.464 20 0 FGADRP CCC[C@@H](NC(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1)C(C)(C)C ZINC000455315574 501269974 /nfs/dbraw/zinc/26/99/74/501269974.db2.gz ZAFACSFMQRZXMM-ZZJWQFMZSA-N 2 0 364.578 3.154 20 0 FGADRP NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+][C@@H](c2ccc(Cl)cc2)C2CCC2)C1 ZINC000453106647 501270327 /nfs/dbraw/zinc/27/03/27/501270327.db2.gz ZAQXGFCXXYBKMB-IEBWSBKVSA-N 2 0 363.933 3.358 20 0 FGADRP CCc1nc(CC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)no1 ZINC000453129072 501275456 /nfs/dbraw/zinc/27/54/56/501275456.db2.gz DIIALLUAXBYGNB-IPMKNSEASA-N 2 0 354.498 3.207 20 0 FGADRP C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)NC(C)(C)C[NH+](C)C)C1 ZINC000457658698 501280306 /nfs/dbraw/zinc/28/03/06/501280306.db2.gz RKGSFGPBLQQXPF-KRWDZBQOSA-N 2 0 360.546 3.058 20 0 FGADRP COCC1(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)CCOCC1 ZINC000453249684 501299034 /nfs/dbraw/zinc/29/90/34/501299034.db2.gz YNPHTFPERTYCLA-VSKRKVRLSA-N 2 0 372.553 3.462 20 0 FGADRP CC(=O)N1CCCN(C[C@@H]2CCC[N@@H+](CC[C@@H]3CCC[C@H](C)C3)C2)CC1 ZINC000451529106 501313632 /nfs/dbraw/zinc/31/36/32/501313632.db2.gz GJSGVRFPUTXWOE-ILWGZMRPSA-N 2 0 363.590 3.469 20 0 FGADRP Cc1cnc(CC[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)cn1 ZINC000453407027 501325489 /nfs/dbraw/zinc/32/54/89/501325489.db2.gz RRAJHRNSROWPJL-KSEOMHKRSA-N 2 0 350.510 3.218 20 0 FGADRP CO[C@@H]1CC[N@H+](Cc2ccccc2C[NH+]2CC[C@H](OC)[C@H](C)C2)C[C@H]1C ZINC000451578755 501329519 /nfs/dbraw/zinc/32/95/19/501329519.db2.gz XMFRYLPFQOCPOO-YHBROIRLSA-N 2 0 360.542 3.400 20 0 FGADRP Cc1cc(Br)c(C[NH+]2CCC(OCC[NH+](C)C)CC2)s1 ZINC000453565410 501349333 /nfs/dbraw/zinc/34/93/33/501349333.db2.gz QGJBIIUHFRSGJB-UHFFFAOYSA-N 2 0 361.349 3.362 20 0 FGADRP COc1cc(Br)c(C[NH2+]CCCC[N@H+](C)C2CC2)cc1OC ZINC000453593418 501356321 /nfs/dbraw/zinc/35/63/21/501356321.db2.gz ABCJLMVABHVXIM-UHFFFAOYSA-N 2 0 371.319 3.430 20 0 FGADRP Cc1cc(Br)c(C[NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)s1 ZINC000453596611 501357560 /nfs/dbraw/zinc/35/75/60/501357560.db2.gz XFNXXOGNBYVVDE-CYBMUJFWSA-N 2 0 361.349 3.146 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1scnc1C(C)C ZINC000455845236 501398958 /nfs/dbraw/zinc/39/89/58/501398958.db2.gz LSRJBFDOTOVXSB-OAHLLOKOSA-N 2 0 367.563 3.146 20 0 FGADRP C[C@H]([NH2+]C(C)(C)CNC(=O)NCC[C@@H]1CCC[N@H+](C)C1)c1ccccc1 ZINC000458367861 501428491 /nfs/dbraw/zinc/42/84/91/501428491.db2.gz IIVWOEZIWIPPCM-ROUUACIJSA-N 2 0 360.546 3.147 20 0 FGADRP Cc1ccccc1OC[C@H](O)C[N@@H+](C)C1CCN(CCC(F)(F)F)CC1 ZINC000452118450 501438961 /nfs/dbraw/zinc/43/89/61/501438961.db2.gz PCKVKUCWCABUSG-QGZVFWFLSA-N 2 0 374.447 3.083 20 0 FGADRP C[C@@H](NC(=O)NC(C)(C)CCC[NH+](C)C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000458670735 501504079 /nfs/dbraw/zinc/50/40/79/501504079.db2.gz IJUDKDCSGYAYRL-QUCCMNQESA-N 2 0 374.573 3.317 20 0 FGADRP C[C@@H](NC(=O)NCCCCC[NH+]1CCCC1)[C@@H](c1ccccc1)[NH+](C)C ZINC000458759380 501524646 /nfs/dbraw/zinc/52/46/46/501524646.db2.gz GGPGKKLGOFKNSQ-QUCCMNQESA-N 2 0 360.546 3.243 20 0 FGADRP Cc1ccccc1[C@H]([C@@H](C)NC(=O)N1CC[C@@]2(C1)CCC[N@H+](C)C2)[NH+](C)C ZINC000458783430 501530670 /nfs/dbraw/zinc/53/06/70/501530670.db2.gz VDQUKLKJGNTXQL-CBQOVEMMSA-N 2 0 372.557 3.114 20 0 FGADRP Cc1ccccc1[C@H]([C@@H](C)NC(=O)NC1CC[NH+](C2CCC2)CC1)[NH+](C)C ZINC000458788368 501531933 /nfs/dbraw/zinc/53/19/33/501531933.db2.gz XYQBGUSALKYHCA-UTKZUKDTSA-N 2 0 372.557 3.302 20 0 FGADRP C[NH+](C)CCN(CC1CCCCC1)C(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000459121505 501597880 /nfs/dbraw/zinc/59/78/80/501597880.db2.gz YQSPOHJQYBWDQE-UHFFFAOYSA-N 2 0 364.578 3.157 20 0 FGADRP CCCN(CC[NH+]1CCCCCC1)C(=O)NCc1ccc2c[nH+]cn2c1 ZINC000459199013 501612389 /nfs/dbraw/zinc/61/23/89/501612389.db2.gz KCSNMZORWZARGI-UHFFFAOYSA-N 2 0 357.502 3.132 20 0 FGADRP CN(C(=O)NCC[C@@H]1CCC[N@H+](C)C1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000459260880 501620964 /nfs/dbraw/zinc/62/09/64/501620964.db2.gz KSVVNTBRXNUHFE-FQEVSTJZSA-N 2 0 372.557 3.024 20 0 FGADRP CCN(C(=O)NCC[C@@H]1CCC[NH+](C)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000459327144 501631693 /nfs/dbraw/zinc/63/16/93/501631693.db2.gz XKHTUFOACFIEBZ-SFTDATJTSA-N 2 0 372.557 3.024 20 0 FGADRP CCN(C(=O)NCC[C@@H]1CCC[NH+](C)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000459327141 501631772 /nfs/dbraw/zinc/63/17/72/501631772.db2.gz XKHTUFOACFIEBZ-LEWJYISDSA-N 2 0 372.557 3.024 20 0 FGADRP C[NH+](C)CCC(=O)Nc1ccc(NC2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000459359919 501638827 /nfs/dbraw/zinc/63/88/27/501638827.db2.gz UQCJJSWXDUGFRK-UHFFFAOYSA-N 2 0 367.497 3.053 20 0 FGADRP Cc1cc(C)c(CNC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)cn1 ZINC000454960843 501662180 /nfs/dbraw/zinc/66/21/80/501662180.db2.gz MLFVZIIXJKQQPC-PXNSSMCTSA-N 2 0 352.482 3.161 20 0 FGADRP CNC(=O)CC[N@@H+]1CCCCC[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000459537655 501672433 /nfs/dbraw/zinc/67/24/33/501672433.db2.gz SBOCPNNDFPXPJR-OAQYLSRUSA-N 2 0 357.542 3.279 20 0 FGADRP FC(F)(F)c1ccnc(CC[NH2+]C2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000459588903 501682393 /nfs/dbraw/zinc/68/23/93/501682393.db2.gz LMRHBKNGSTTYBR-UHFFFAOYSA-N 2 0 350.388 3.297 20 0 FGADRP C(CC[NH+]1CC2(CCC2)[C@H]2COC[C@H]21)CC[N@@H+]1CC2(CCC2)[C@@H]2COC[C@@H]21 ZINC000459686192 501699244 /nfs/dbraw/zinc/69/92/44/501699244.db2.gz VKZDBIQCMMHEHV-UJOPUZHASA-N 2 0 374.569 3.159 20 0 FGADRP Cn1c(C[NH2+]CC[C@@H]2CCC[N@H+](C)C2)nc2cc(C(F)(F)F)ccc21 ZINC000459733430 501705833 /nfs/dbraw/zinc/70/58/33/501705833.db2.gz NMWMCHRYBZNWKF-ZDUSSCGKSA-N 2 0 354.420 3.414 20 0 FGADRP COc1ccc([C@H](CO)C[NH2+][C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000459764049 501710768 /nfs/dbraw/zinc/71/07/68/501710768.db2.gz WNIQZMUJYBRLEN-COPCDDAFSA-N 2 0 368.521 3.271 20 0 FGADRP C[NH+](C)CC1(C(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)CCCCC1 ZINC000460285992 501780558 /nfs/dbraw/zinc/78/05/58/501780558.db2.gz FAIARRQDMMXZCN-HXUWFJFHSA-N 2 0 357.542 3.452 20 0 FGADRP Cc1cc(C[NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)ccc1I ZINC000467373202 501780706 /nfs/dbraw/zinc/78/07/06/501780706.db2.gz KDMSIPYXOUPOIX-SWLSCSKDSA-N 2 0 358.267 3.029 20 0 FGADRP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC000460286515 501780817 /nfs/dbraw/zinc/78/08/17/501780817.db2.gz FRKIGLZBNVAAOH-RTBURBONSA-N 2 0 351.579 3.373 20 0 FGADRP C[C@@H](Cc1cccc(C(F)(F)F)c1)[NH2+]CCCC[N@@H+]1CCC[C@@H]1CO ZINC000467378234 501781226 /nfs/dbraw/zinc/78/12/26/501781226.db2.gz UJGXDGOBWAZJLG-MAUKXSAKSA-N 2 0 358.448 3.463 20 0 FGADRP C[N@@H+]1CCN(C(=O)[C@H]2CCC[NH+](Cc3ccccc3)C2)C2(CCCCC2)C1 ZINC000467473869 501803591 /nfs/dbraw/zinc/80/35/91/501803591.db2.gz MDBUTOQNWDOVTN-NRFANRHFSA-N 2 0 369.553 3.376 20 0 FGADRP C[C@@H]1CC[C@H]([NH2+]Cc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)C[C@H]1C ZINC000463736429 501806930 /nfs/dbraw/zinc/80/69/30/501806930.db2.gz OQUBGGOTEIZTNO-OPYAIIAOSA-N 2 0 357.542 3.427 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1CCCNC(=O)NCCC[NH+](C)Cc1ccccc1 ZINC000611728254 506275078 /nfs/dbraw/zinc/27/50/78/506275078.db2.gz GUHWKHNQSRISBI-LJQANCHMSA-N 2 0 360.546 3.072 20 0 FGADRP CC(C)C[NH+]1CCC(NC(=O)N[C@H](C)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000477884926 501819668 /nfs/dbraw/zinc/81/96/68/501819668.db2.gz VEOUVWFMNUDFOQ-XLIONFOSSA-N 2 0 360.546 3.097 20 0 FGADRP C[C@H](CCNC(=O)NC1CC([NH+]2CCCCC2)C1)[N@H+](C)Cc1ccccc1 ZINC000474439365 501837276 /nfs/dbraw/zinc/83/72/76/501837276.db2.gz MBWUDSFHMKHBFF-KMFTYDHNSA-N 2 0 372.557 3.213 20 0 FGADRP CCOC(=O)C1(C)CCC([NH2+]Cc2cccc(OCC[NH+](C)C)c2)CC1 ZINC000474467462 501845890 /nfs/dbraw/zinc/84/58/90/501845890.db2.gz FJKCFMLIBRYPSH-UHFFFAOYSA-N 2 0 362.514 3.229 20 0 FGADRP CCC[NH+]1CCC([N@H+](C)CCC(=O)Nc2ccc(OC)c(Cl)c2)CC1 ZINC000485665764 501893308 /nfs/dbraw/zinc/89/33/08/501893308.db2.gz DBADXLXUOXRTHR-UHFFFAOYSA-N 2 0 367.921 3.483 20 0 FGADRP CC(C)[C@H](C[NH2+]Cc1cccnc1N1CC[NH+](C)CC1)c1ccccc1 ZINC000474634256 501902568 /nfs/dbraw/zinc/90/25/68/501902568.db2.gz WXAZZSPGCXLSKV-NRFANRHFSA-N 2 0 352.526 3.363 20 0 FGADRP CCC(CC)[C@H](CNC(=O)N1C[C@H]([NH+]2CCCC2)C[C@@H]1C)[NH+]1CCCC1 ZINC000478206252 501909676 /nfs/dbraw/zinc/90/96/76/501909676.db2.gz MJFBZACWLSWKSX-SXLOBPIMSA-N 2 0 364.578 3.155 20 0 FGADRP C[C@H](Cc1ccccc1C(F)(F)F)[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000481921507 501918523 /nfs/dbraw/zinc/91/85/23/501918523.db2.gz HEKZZTJTOURKPQ-MRXNPFEDSA-N 2 0 357.464 3.254 20 0 FGADRP C[NH+](C)CCN(C(=O)NCCCCC[NH+]1CCCCC1)C1CCCC1 ZINC000468012440 501929454 /nfs/dbraw/zinc/92/94/54/501929454.db2.gz VAIRTLFPPBPPQW-UHFFFAOYSA-N 2 0 352.567 3.158 20 0 FGADRP C[C@@H]1C[C@H](NC(=O)N(CC[NH+](C)C)C2CCCC2)C[N@@H+]1Cc1ccccc1 ZINC000468018676 501931285 /nfs/dbraw/zinc/93/12/85/501931285.db2.gz ACBYEWGZGNPFRS-QUCCMNQESA-N 2 0 372.557 3.165 20 0 FGADRP CC[C@@]1(C)CC[N@@H+]([C@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000468113666 501961252 /nfs/dbraw/zinc/96/12/52/501961252.db2.gz QBPRBKDWTZPADC-GCJKJVERSA-N 2 0 357.542 3.278 20 0 FGADRP CC[NH+]1CCN(c2cccc(NC(=O)[C@@H](C(C)C)[NH+]3CCCCC3)c2)CC1 ZINC000474832351 501966509 /nfs/dbraw/zinc/96/65/09/501966509.db2.gz PTMXIMDATRBXGG-OAQYLSRUSA-N 2 0 372.557 3.278 20 0 FGADRP C[C@H]1C[N@H+](CCOc2ccc(CC[NH2+][C@@H]3CCOC[C@@H]3C)cc2)C[C@H]1C ZINC000474876030 501977994 /nfs/dbraw/zinc/97/79/94/501977994.db2.gz IWPLOZVRMKQHDD-LMVRJCEZSA-N 2 0 360.542 3.210 20 0 FGADRP Cc1nc2c(s1)[C@@H]([NH2+]CCCN1CCN(c3cc[nH+]cc3)CC1)CCC2 ZINC000482117577 501979760 /nfs/dbraw/zinc/97/97/60/501979760.db2.gz CEYHJZQBOAVVAY-SFHVURJKSA-N 2 0 371.554 3.026 20 0 FGADRP C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)[C@@H](C[NH+]2CCCC2)c2ccccc2)C1 ZINC000611756662 506286045 /nfs/dbraw/zinc/28/60/45/506286045.db2.gz BFGYTZVPTFWKCQ-IRLDBZIGSA-N 2 0 369.553 3.056 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1c(C)oc2ccccc21 ZINC000464654921 502057036 /nfs/dbraw/zinc/05/70/36/502057036.db2.gz CNHIFFHGCBTRST-KRWDZBQOSA-N 2 0 357.498 3.229 20 0 FGADRP C[C@@H](CNC(=O)c1ccc(Nc2cc[nH+]cc2)cc1)[N@@H+]1CCCC[C@H]1C ZINC000468467391 502068057 /nfs/dbraw/zinc/06/80/57/502068057.db2.gz AKOVAMKZXZCLCH-SJORKVTESA-N 2 0 352.482 3.240 20 0 FGADRP Cc1cc(C)cc([C@@H](C)[NH2+]CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)c1 ZINC000475149549 502082128 /nfs/dbraw/zinc/08/21/28/502082128.db2.gz PJCXEXXNYHATKX-NQIIRXRSSA-N 2 0 353.510 3.373 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cnc2ccccc2c1C ZINC000482525194 502099258 /nfs/dbraw/zinc/09/92/58/502099258.db2.gz QVNLYWMIVPUXHE-GOSISDBHSA-N 2 0 368.525 3.031 20 0 FGADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)NC[C@@H](C(C)C)[NH+]2CCC(C)CC2)C1 ZINC000464830460 502110892 /nfs/dbraw/zinc/11/08/92/502110892.db2.gz OIMWJTIUQKAZHJ-UXHICEINSA-N 2 0 366.594 3.020 20 0 FGADRP C[C@H](CC[NH+](C)C)NC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000482595106 502121544 /nfs/dbraw/zinc/12/15/44/502121544.db2.gz WQMGAEWIUPXZSW-HLAWJBBLSA-N 2 0 372.557 3.023 20 0 FGADRP O=C(NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)[C@H]1CCC[NH+]1C1CC1 ZINC000461469556 502127061 /nfs/dbraw/zinc/12/70/61/502127061.db2.gz LSHQWYRJVPTSNF-PZJWPPBQSA-N 2 0 355.526 3.032 20 0 FGADRP C[C@@H](C[NH2+][C@@H]1CCCc2cc(Br)ccc21)N1CC[NH+](C)CC1 ZINC000479068372 502153059 /nfs/dbraw/zinc/15/30/59/502153059.db2.gz XCUNGDXKWBZXQL-KBXCAEBGSA-N 2 0 366.347 3.052 20 0 FGADRP C[C@@H]1C[C@@H](NC(=O)[C@H](C[NH3+])c2ccc(F)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000479207210 502193238 /nfs/dbraw/zinc/19/32/38/502193238.db2.gz IQYPZPDEMRRHKF-TYCQWZJGSA-N 2 0 369.484 3.037 20 0 FGADRP NC(=O)[C@H]1CCC[N@H+](CCC[NH2+][C@@H](CC2CC2)c2ccc(Cl)cc2)C1 ZINC000468828259 502197435 /nfs/dbraw/zinc/19/74/35/502197435.db2.gz FCFMZGSBMSIKHC-HKUYNNGSSA-N 2 0 363.933 3.358 20 0 FGADRP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@H](C[NH3+])c2ccc(F)cc2)CC1 ZINC000479223096 502197996 /nfs/dbraw/zinc/19/79/96/502197996.db2.gz LFGSRSNJFZPADW-HRAATJIYSA-N 2 0 369.484 3.210 20 0 FGADRP C[NH+](C)CCn1ccc2ccc(NC(=O)[C@@H](C[NH3+])c3ccc(F)cc3)cc21 ZINC000479229901 502199460 /nfs/dbraw/zinc/19/94/60/502199460.db2.gz RUTCMYYGJYRWKN-IBGZPJMESA-N 2 0 368.456 3.023 20 0 FGADRP Cc1ccc2[nH]c(C[NH2+]Cc3ccc(N4CC[NH+](C)CC4)nc3)cc2c1C ZINC000472049695 502211446 /nfs/dbraw/zinc/21/14/46/502211446.db2.gz XLYKNTWUYSSTNR-UHFFFAOYSA-N 2 0 363.509 3.221 20 0 FGADRP C[C@@H](CNC(=O)N[C@@H](C)[C@H](c1ccccc1)[NH+](C)C)[N@@H+]1CCCC[C@@H]1C ZINC000479270109 502212235 /nfs/dbraw/zinc/21/22/35/502212235.db2.gz DNHIUCSLLVQOHH-CGBFIWBNSA-N 2 0 360.546 3.240 20 0 FGADRP CCc1ccc([C@H](CNC(=O)NC[C@H]2CC[N@H+](CC(C)C)C2)[NH+](C)C)cc1 ZINC000465221493 502219311 /nfs/dbraw/zinc/21/93/11/502219311.db2.gz PWRDVOYMIUGVBC-CTNGQTDRSA-N 2 0 374.573 3.129 20 0 FGADRP CCN(CCC[NH+]1CCCC1)C(=O)N[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000472110106 502234699 /nfs/dbraw/zinc/23/46/99/502234699.db2.gz HMEBYFWBMLPWCT-FPOVZHCZSA-N 2 0 372.557 3.339 20 0 FGADRP CC[NH+](CC)[C@H](C)CNC(=O)NCC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000472114645 502237712 /nfs/dbraw/zinc/23/77/12/502237712.db2.gz GOSAIUIBAIPQJE-SFHLNBCPSA-N 2 0 374.573 3.317 20 0 FGADRP Cc1cc(C[NH2+]C(C)(C)CCN2CC[NH+](C)CC2)sc1Br ZINC000472129257 502242663 /nfs/dbraw/zinc/24/26/63/502242663.db2.gz ZYJBTFOUMVNGAH-UHFFFAOYSA-N 2 0 374.392 3.325 20 0 FGADRP CCCN(C(=O)C1CC[NH+](C)CC1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000461977289 502260662 /nfs/dbraw/zinc/26/06/62/502260662.db2.gz MXBLHVVQNARPRW-OAQYLSRUSA-N 2 0 357.542 3.231 20 0 FGADRP CCC[C@H]1CN(C(=O)CC2CC[NH+](C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000486845496 502282244 /nfs/dbraw/zinc/28/22/44/502282244.db2.gz WALBDUGQAOCGQK-NRFANRHFSA-N 2 0 357.542 3.231 20 0 FGADRP C[C@@H]1C[C@@H](NC(=O)N2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)CC[NH+]1C ZINC000479537709 502290127 /nfs/dbraw/zinc/29/01/27/502290127.db2.gz OHAIULJYAAXFIP-NSHGMRRFSA-N 2 0 364.578 3.155 20 0 FGADRP CC[NH+]1CCC([NH2+]CCC(=O)Nc2ccc(Br)cc2C)CC1 ZINC000462066399 502293164 /nfs/dbraw/zinc/29/31/64/502293164.db2.gz GSLZRKNEDTXWEJ-UHFFFAOYSA-N 2 0 368.319 3.160 20 0 FGADRP CCOc1c(Cl)cccc1C[NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000486925594 502306579 /nfs/dbraw/zinc/30/65/79/502306579.db2.gz GWSKWKSQAZFEME-UHFFFAOYSA-N 2 0 374.916 3.175 20 0 FGADRP O[C@@]1(C[NH2+][C@@H]2Cc3ccc(Cl)cc3C2)CCN(Cc2ccccc2)C1 ZINC000462115146 502311551 /nfs/dbraw/zinc/31/15/51/502311551.db2.gz DASLLTQQZXSXHE-NHCUHLMSSA-N 2 0 356.897 3.034 20 0 FGADRP C[C@@H]1C[C@H](N(C)C(=O)NCc2ccccc2C[NH+]2CCCCC2)CC[N@@H+]1C ZINC000465604116 502323080 /nfs/dbraw/zinc/32/30/80/502323080.db2.gz ULESXYCBWJUPGX-WIYYLYMNSA-N 2 0 372.557 3.297 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](c1ccccc1)C(C)C ZINC000465620079 502328300 /nfs/dbraw/zinc/32/83/00/502328300.db2.gz UNBZDUHOTRFQHG-LEWJYISDSA-N 2 0 374.573 3.441 20 0 FGADRP C[C@@H](NC(=O)NCC[N@H+](C)C1CCCC1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000487037745 502337385 /nfs/dbraw/zinc/33/73/85/502337385.db2.gz ROLCXHWICBQVMV-UYAOXDASSA-N 2 0 372.557 3.071 20 0 FGADRP Fc1cccc(-c2noc([C@H]3CCC[N@H+](CCC4CC[NH2+]CC4)C3)n2)c1 ZINC000479671767 502339781 /nfs/dbraw/zinc/33/97/81/502339781.db2.gz HQCHTGLFQRGKLP-KRWDZBQOSA-N 2 0 358.461 3.445 20 0 FGADRP Fc1ccc(-c2noc([C@H]3CCC[N@H+](CCC4CC[NH2+]CC4)C3)n2)cc1 ZINC000479671213 502339805 /nfs/dbraw/zinc/33/98/05/502339805.db2.gz FUDYASDUJNXXCA-KRWDZBQOSA-N 2 0 358.461 3.445 20 0 FGADRP CC[NH+]1CCN(c2ccccc2C[NH2+]CCc2cc(C)c(O)c(C)c2)CC1 ZINC000469246796 502349229 /nfs/dbraw/zinc/34/92/29/502349229.db2.gz WFZQLLVYYZXNRC-UHFFFAOYSA-N 2 0 367.537 3.483 20 0 FGADRP C[C@@H]1CCC[C@](CNC(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)([NH+](C)C)C1 ZINC000465727644 502360916 /nfs/dbraw/zinc/36/09/16/502360916.db2.gz QYFHAQJVRVZQOQ-HBFSDRIKSA-N 2 0 352.567 3.013 20 0 FGADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)Cc1cccc(Cl)c1Cl ZINC000469283110 502361287 /nfs/dbraw/zinc/36/12/87/502361287.db2.gz TXCLJZNHKJFFMX-UHFFFAOYSA-N 2 0 374.356 3.268 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@H](c2cccc(F)c2)N(C)C)[C@@H](C)C1 ZINC000479851626 502397163 /nfs/dbraw/zinc/39/71/63/502397163.db2.gz OOIVXOUJCIEFCJ-YYWHXJBOSA-N 2 0 365.537 3.155 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000465928080 502431121 /nfs/dbraw/zinc/43/11/21/502431121.db2.gz QWLVAEJMWKDDDY-OAQYLSRUSA-N 2 0 372.557 3.346 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NCCCC[NH+]2CCCC[C@@H]2C)C[C@@H]1C ZINC000483682972 502461750 /nfs/dbraw/zinc/46/17/50/502461750.db2.gz LFSZDWIXBLMFQO-FHWLQOOXSA-N 2 0 352.567 3.155 20 0 FGADRP CC[NH+](CC)CCO[C@H]1CCN(c2cc[nH+]c3cc(F)c(OC)cc32)C1 ZINC000480065161 502461866 /nfs/dbraw/zinc/46/18/66/502461866.db2.gz VIVKMWNGKULDAT-HNNXBMFYSA-N 2 0 361.461 3.320 20 0 FGADRP C[C@H]1C[C@@H](NC(=O)N2CCC(C[NH+](C)Cc3ccccc3)CC2)CC[N@@H+]1C ZINC000466042108 502463605 /nfs/dbraw/zinc/46/36/05/502463605.db2.gz XNRWRFBOHMIXEG-RXVVDRJESA-N 2 0 372.557 3.023 20 0 FGADRP COc1cc2c(NCc3ccnc(OCC[NH+](C)C)c3)cc[nH+]c2cc1F ZINC000480087861 502469134 /nfs/dbraw/zinc/46/91/34/502469134.db2.gz DWGNJJLUYUATTQ-UHFFFAOYSA-N 2 0 370.428 3.330 20 0 FGADRP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000462535743 502478980 /nfs/dbraw/zinc/47/89/80/502478980.db2.gz QBAVOTFOAOOQEH-GUDVDZBRSA-N 2 0 352.567 3.011 20 0 FGADRP COCCC[C@H](C)[NH2+]Cc1cc(C(F)(F)F)ccc1N1CC[NH+](C)CC1 ZINC000483738107 502479076 /nfs/dbraw/zinc/47/90/76/502479076.db2.gz BUXPTQFXVJMTAG-HNNXBMFYSA-N 2 0 373.463 3.362 20 0 FGADRP CCC[NH+]1CCC(NC(=O)N(CC[NH+](CC)CC)Cc2ccccc2)CC1 ZINC000466117370 502481881 /nfs/dbraw/zinc/48/18/81/502481881.db2.gz QDDQFDSFQSZAGJ-UHFFFAOYSA-N 2 0 374.573 3.414 20 0 FGADRP CC[N@H+](C)Cc1cccc(CNC(=O)N(C)[C@@H]2CC[NH+](CC)[C@@H](C)C2)c1 ZINC000483744854 502482023 /nfs/dbraw/zinc/48/20/23/502482023.db2.gz KPYUCHXNEAXQHG-FXAWDEMLSA-N 2 0 360.546 3.153 20 0 FGADRP CC[NH+]1CCC(CCNC(=O)NCC[C@@H](C)[N@H+](C)Cc2ccccc2)CC1 ZINC000472982123 502491048 /nfs/dbraw/zinc/49/10/48/502491048.db2.gz ASYPZFMVXXDUAD-LJQANCHMSA-N 2 0 374.573 3.318 20 0 FGADRP C[C@@H]1C[N@@H+](CC2CC[NH+](CCOc3ccc(F)cc3)CC2)C[C@H](C)O1 ZINC000588709448 506317027 /nfs/dbraw/zinc/31/70/27/506317027.db2.gz BMYRGJNCNFEVST-CALCHBBNSA-N 2 0 350.478 3.026 20 0 FGADRP O=C(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@@]12CCC[C@@H]1C[NH+](Cc1ccccc1)C2 ZINC000466330473 502539115 /nfs/dbraw/zinc/53/91/15/502539115.db2.gz HFMZMZWIFUVRLA-ADYITMSISA-N 2 0 367.537 3.032 20 0 FGADRP C[NH+]1CCC(C[NH2+][C@@H]2CCC[C@H]([C@@H]3CCOC3)C2)(N2CCCCC2)CC1 ZINC000466342459 502542245 /nfs/dbraw/zinc/54/22/45/502542245.db2.gz DNPBELQURVFIOX-PWRODBHTSA-N 2 0 363.590 3.122 20 0 FGADRP Cc1nn(-c2ccc(Br)cc2)cc1C[N@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000469851548 502567814 /nfs/dbraw/zinc/56/78/14/502567814.db2.gz YWERBRJLUVIZLP-OCCSQVGLSA-N 2 0 363.303 3.112 20 0 FGADRP COC(=O)CCCN1CCC([NH2+]C[C@H]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC000462783825 502571101 /nfs/dbraw/zinc/57/11/01/502571101.db2.gz WRTYNOZPWKGGTD-GJZGRUSLSA-N 2 0 364.452 3.362 20 0 FGADRP C[NH+]1CCN(Cc2ccc(C[NH2+][C@@H]3CCC[C@@H]([C@@H]4CCOC4)C3)cc2)CC1 ZINC000462785225 502571429 /nfs/dbraw/zinc/57/14/29/502571429.db2.gz KPZOGEUIMKWSFT-DNVJHFABSA-N 2 0 371.569 3.119 20 0 FGADRP Cc1nn(-c2ccc(Br)cc2)cc1C[N@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000469861926 502571944 /nfs/dbraw/zinc/57/19/44/502571944.db2.gz LTBJHQGPEPYVPH-JSGCOSHPSA-N 2 0 363.303 3.112 20 0 FGADRP C[C@H](CC(C)(C)c1c[nH]c2ccccc21)[NH2+]C[C@@H](C)N1CC[NH+](C)CC1 ZINC000462802710 502581550 /nfs/dbraw/zinc/58/15/50/502581550.db2.gz MKDYHEWJTPCUKJ-QZTJIDSGSA-N 2 0 356.558 3.450 20 0 FGADRP CCOc1cc2[nH+]ccc(N3CC[N@H+](CCOC)[C@@H](C)C3)c2cc1OCC ZINC000462808925 502584606 /nfs/dbraw/zinc/58/46/06/502584606.db2.gz QIXPLWLEUKNJCI-INIZCTEOSA-N 2 0 373.497 3.189 20 0 FGADRP COc1ccc([C@H](C)[NH2+][C@@H]2CCN(Cc3ccccc3)C[C@@H]2CO)cc1 ZINC000484161192 502589689 /nfs/dbraw/zinc/58/96/89/502589689.db2.gz NNLXEZRQVRSNNG-UCNVEGJOSA-N 2 0 354.494 3.229 20 0 FGADRP CCC[NH+]1CCC(C[NH2+][C@@H](C)[C@H](c2ccccc2)N2CCOCC2)CC1 ZINC000480584145 502610932 /nfs/dbraw/zinc/61/09/32/502610932.db2.gz PKBTZWAZFSBTQE-SIKLNZKXSA-N 2 0 359.558 3.160 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N1CC[N@@H+](C2CCC2)C[C@H](C)C1)CC(C)C ZINC000488211526 502659168 /nfs/dbraw/zinc/65/91/68/502659168.db2.gz ANKJHTLUMFPYNI-ICSRJNTNSA-N 2 0 366.594 3.259 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCN(c3ccccc3)C2)[C@@H](C)C1 ZINC000480761355 502663046 /nfs/dbraw/zinc/66/30/46/502663046.db2.gz SIJUPGRTGLNWNA-ONTIZHBOSA-N 2 0 359.558 3.240 20 0 FGADRP Cc1ccc(C)c(OC[C@@H](O)C[NH+]2CCC(C[NH+]3CCCC3)CC2)c1C ZINC000488319518 502683653 /nfs/dbraw/zinc/68/36/53/502683653.db2.gz CBCHYNJIKGBGLE-NRFANRHFSA-N 2 0 360.542 3.159 20 0 FGADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC[C@@H]2CCC[NH+](C(C)C)C2)C1 ZINC000477225708 502713012 /nfs/dbraw/zinc/71/30/12/502713012.db2.gz WJZOGPNQIKCAGF-MOPGFXCFSA-N 2 0 366.594 3.307 20 0 FGADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N(C)CC[NH+](C)C2CC2)cc1 ZINC000473886740 502738536 /nfs/dbraw/zinc/73/85/36/502738536.db2.gz SNRXXJKWTDAWJU-SFHVURJKSA-N 2 0 372.557 3.297 20 0 FGADRP C[C@@H]1CCC[C@@H]([NH2+]CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)[C@@H]1C ZINC000481185793 502777516 /nfs/dbraw/zinc/77/75/16/502777516.db2.gz XFUJTAWTYGZBAU-DBXWQHBBSA-N 2 0 357.542 3.313 20 0 FGADRP C[C@@H](C(=O)Nc1ccc2ccn(CC[NH+](C)C)c2c1)[NH+]1CCCCCC1 ZINC000467098548 502786801 /nfs/dbraw/zinc/78/68/01/502786801.db2.gz BTCUNCDXOGUALW-KRWDZBQOSA-N 2 0 356.514 3.406 20 0 FGADRP CCN(C(=O)N[C@@H]1CC[NH+](C)[C@H](C)C1)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000474042568 502787836 /nfs/dbraw/zinc/78/78/36/502787836.db2.gz YBCZEQNHICYGCZ-JYRKZWEQSA-N 2 0 372.557 3.336 20 0 FGADRP CC(C)[NH+](CCNC(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1)C(C)C ZINC000504880641 502817701 /nfs/dbraw/zinc/81/77/01/502817701.db2.gz CYAYFOPWHXOJRM-FQEVSTJZSA-N 2 0 360.546 3.069 20 0 FGADRP C[C@H]1C[C@@H]([NH2+]CCNC(=O)CC2CCCC2)CCN1Cc1ccccc1 ZINC000513040048 502836381 /nfs/dbraw/zinc/83/63/81/502836381.db2.gz DVBIMAGKALKTBM-RXVVDRJESA-N 2 0 357.542 3.326 20 0 FGADRP C[NH+]1CCC(CCNC(=O)NC[C@@]2(C)CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000489042613 502866982 /nfs/dbraw/zinc/86/69/82/502866982.db2.gz MOCOVAQBFKMCQU-JOCHJYFZSA-N 2 0 372.557 3.072 20 0 FGADRP COC1CC[NH+](C(C)(C)CNC2CC[NH+](C3CCCCC3)CC2)CC1 ZINC000513203904 502877273 /nfs/dbraw/zinc/87/72/73/502877273.db2.gz MHFBHVKIUUICLS-UHFFFAOYSA-N 2 0 351.579 3.263 20 0 FGADRP CCO[C@H]1C[C@H]([N@H+](C)CCCN2CC[NH+](C(C)C)CC2)C1(CC)CC ZINC000501006843 502910479 /nfs/dbraw/zinc/91/04/79/502910479.db2.gz ITAKBEJFKPKUDI-PMACEKPBSA-N 2 0 353.595 3.318 20 0 FGADRP C[C@@H](C[N@H+](C)CCCN1CC[NH+](C)CC1)c1ccc(C(F)(F)F)cc1 ZINC000501010312 502911969 /nfs/dbraw/zinc/91/19/69/502911969.db2.gz JMVUKEOSMBFPJD-INIZCTEOSA-N 2 0 357.464 3.378 20 0 FGADRP C[C@@H]1CCC[C@@H](C)N1C(=O)C[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501032505 502917008 /nfs/dbraw/zinc/91/70/08/502917008.db2.gz PQKKDUCYZBFHPK-QZTJIDSGSA-N 2 0 358.530 3.019 20 0 FGADRP CN(CCC[NH+]1CCCC1)C(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000497113469 502921905 /nfs/dbraw/zinc/92/19/05/502921905.db2.gz HWOUUXMWYKBQEJ-OAQYLSRUSA-N 2 0 372.557 3.168 20 0 FGADRP C[C@H]1CC[N@H+](CCOc2ccc(NC(=O)[C@@H]([NH3+])c3ccccc3)cc2)C1 ZINC000497298221 502930452 /nfs/dbraw/zinc/93/04/52/502930452.db2.gz XYUNVEYDKXHZFY-JXFKEZNVSA-N 2 0 353.466 3.046 20 0 FGADRP C[C@H](C(=O)N1[C@H](C)CCC[C@@H]1C)[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501081591 502931475 /nfs/dbraw/zinc/93/14/75/502931475.db2.gz XVGDXRVCHUYYBO-CEXWTWQISA-N 2 0 372.557 3.408 20 0 FGADRP CC[N@H+](CCC1CC[NH+](Cc2cnn(CC(F)F)c2)CC1)CC1CC1 ZINC000509558475 502934437 /nfs/dbraw/zinc/93/44/37/502934437.db2.gz ISASKRZLRLRRMP-UHFFFAOYSA-N 2 0 354.489 3.482 20 0 FGADRP CC[NH+](CC)Cc1ccc(C[NH2+]Cc2ccc3c(c2)oc(=O)n3C)cc1 ZINC000509684427 502967080 /nfs/dbraw/zinc/96/70/80/502967080.db2.gz KYGIKFBMIUOOHT-UHFFFAOYSA-N 2 0 353.466 3.263 20 0 FGADRP C[C@H](CCNC(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1)[N@H+](C)Cc1ccccc1 ZINC000489528140 502980000 /nfs/dbraw/zinc/98/00/00/502980000.db2.gz ISHULCPQKYQNJV-HOJAQTOUSA-N 2 0 360.546 3.069 20 0 FGADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@H]1CC[NH+](Cc2ccccc2)C[C@H]1C ZINC000489604388 502996180 /nfs/dbraw/zinc/99/61/80/502996180.db2.gz XTOPQCROMAPFNT-NRSPTQNISA-N 2 0 372.557 3.071 20 0 FGADRP C[NH+]1CCC(N2CCC([NH2+][C@@H]3CCC[C@@H](c4cccnc4)C3)CC2)CC1 ZINC000501379425 502996907 /nfs/dbraw/zinc/99/69/07/502996907.db2.gz XAZDLYKNLMVXLS-WIYYLYMNSA-N 2 0 356.558 3.256 20 0 FGADRP CCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@@H](C)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000501388314 502999070 /nfs/dbraw/zinc/99/90/70/502999070.db2.gz UCVCAEMMOMFERP-JBACZVJFSA-N 2 0 372.557 3.071 20 0 FGADRP COc1ccc([C@H](CN[C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)[NH+]2CCCC2)cc1 ZINC000513760203 503017946 /nfs/dbraw/zinc/01/79/46/503017946.db2.gz ILWAKTFCJHZHDB-CBPXPLCBSA-N 2 0 357.542 3.295 20 0 FGADRP CC[NH+](CC)CCNC(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000497718525 503022897 /nfs/dbraw/zinc/02/28/97/503022897.db2.gz DJLCODOYBRUBNJ-UHFFFAOYSA-N 2 0 360.546 3.204 20 0 FGADRP C[N@H+](Cc1ccccc1)C1CN(C(=O)NCCCCC[NH+]2CCCCC2)C1 ZINC000497729381 503026754 /nfs/dbraw/zinc/02/67/54/503026754.db2.gz TXWWYXZMAURNCT-UHFFFAOYSA-N 2 0 372.557 3.168 20 0 FGADRP C[C@H](CNC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)[N@@H+]1CCCC[C@H]1C ZINC000501533605 503031644 /nfs/dbraw/zinc/03/16/44/503031644.db2.gz SAMRWYPAJUXSTI-RTBURBONSA-N 2 0 372.557 3.345 20 0 FGADRP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000489786367 503034937 /nfs/dbraw/zinc/03/49/37/503034937.db2.gz BGOFNMQLZNANLK-HBMCJLEFSA-N 2 0 372.557 3.023 20 0 FGADRP CC[NH+](CC)Cc1ccc(CNC(=O)NCC[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000501573998 503041513 /nfs/dbraw/zinc/04/15/13/503041513.db2.gz AHBHEKHSVNKOKD-SFHVURJKSA-N 2 0 360.546 3.060 20 0 FGADRP C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)C1 ZINC000513900380 503044572 /nfs/dbraw/zinc/04/45/72/503044572.db2.gz WMZFGMQVZCVXES-HOTGVXAUSA-N 2 0 366.594 3.351 20 0 FGADRP CC(C)[NH+]1CCC(C(=O)N2C[C@@H](C)[N@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000501595918 503046228 /nfs/dbraw/zinc/04/62/28/503046228.db2.gz PBBAHAULIQCXIJ-RTBURBONSA-N 2 0 357.542 3.228 20 0 FGADRP CC(C)[NH+]1CCC(C(=O)N2C[C@@H](C)[N@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000501595915 503046498 /nfs/dbraw/zinc/04/64/98/503046498.db2.gz PBBAHAULIQCXIJ-MOPGFXCFSA-N 2 0 357.542 3.228 20 0 FGADRP [NH3+]Cc1cc(NC(=O)NCC2CC[NH+](C3CC3)CC2)cc(C(F)(F)F)c1 ZINC000582653873 506348689 /nfs/dbraw/zinc/34/86/89/506348689.db2.gz PZMITOMCFVJPAT-UHFFFAOYSA-N 2 0 370.419 3.160 20 0 FGADRP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@](C)(c3ccccc3)CC2)CC1 ZINC000510097547 503049102 /nfs/dbraw/zinc/04/91/02/503049102.db2.gz GUONVNQJSBZZQM-QFIPXVFZSA-N 2 0 357.542 3.031 20 0 FGADRP Cc1ccc(C)c(OC[C@H](O)C[NH+]2CCC(CCC[NH+](C)C)CC2)c1C ZINC000501785344 503079216 /nfs/dbraw/zinc/07/92/16/503079216.db2.gz KUFPVBUPHDYNAR-OAQYLSRUSA-N 2 0 362.558 3.405 20 0 FGADRP C[C@H](C[NH+]1CCCCC1)NC(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000501848573 503093980 /nfs/dbraw/zinc/09/39/80/503093980.db2.gz IUVYBGJKUSLSEE-LJQANCHMSA-N 2 0 372.557 3.346 20 0 FGADRP CCC[NH+]1CCC(CNC(=O)NCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000514126127 503094632 /nfs/dbraw/zinc/09/46/32/503094632.db2.gz DJQBCNYQNUXUMP-KDURUIRLSA-N 2 0 366.594 3.166 20 0 FGADRP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000498054564 503097046 /nfs/dbraw/zinc/09/70/46/503097046.db2.gz PDGAJDRWHRGENZ-WIYYLYMNSA-N 2 0 357.542 3.087 20 0 FGADRP CC[NH+](C)[C@H](C(=O)NCc1cccc(C[N@@H+](C)CC)c1)c1ccccc1 ZINC000490107372 503110252 /nfs/dbraw/zinc/11/02/52/503110252.db2.gz RSFPQVKEEDGVOJ-NRFANRHFSA-N 2 0 353.510 3.448 20 0 FGADRP CC[C@H](C)[NH2+][C@@H](CNC(=O)NCC[C@H](C)[NH+]1CCCCC1)c1ccco1 ZINC000501942314 503112384 /nfs/dbraw/zinc/11/23/84/503112384.db2.gz LGSDSSUTSANQNF-BZSNNMDCSA-N 2 0 364.534 3.273 20 0 FGADRP CCC[NH+]1CCC(CNC(=O)N[C@H](C)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000490199840 503128622 /nfs/dbraw/zinc/12/86/22/503128622.db2.gz VTPHSPGCPMNXSF-YLJYHZDGSA-N 2 0 360.546 3.099 20 0 FGADRP CC[N@@H+]1C[C@H](C)N(C(=O)N[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)C[C@H]1C ZINC000498254658 503143229 /nfs/dbraw/zinc/14/32/29/503143229.db2.gz VYQWRKGTMYPQFK-YOUFYPILSA-N 2 0 372.557 3.164 20 0 FGADRP CSC1(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)CC[NH+](C)CC1 ZINC000514636628 503154722 /nfs/dbraw/zinc/15/47/22/503154722.db2.gz AUUGJGLYCCPVNS-UYAOXDASSA-N 3 0 361.599 3.314 20 0 FGADRP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(C[NH2+][C@H]3CC[C@H]3C3CCC3)c2)C1 ZINC000510673222 503169907 /nfs/dbraw/zinc/16/99/07/503169907.db2.gz ZUYNTFMZFOXNLX-HKBOAZHASA-N 2 0 355.526 3.052 20 0 FGADRP C[C@H](C(=O)N(CC[NH+](C)C)Cc1ccc(F)c(F)c1)[NH+]1CCCCCC1 ZINC000510690444 503173606 /nfs/dbraw/zinc/17/36/06/503173606.db2.gz INTVBSOQSGNZAU-MRXNPFEDSA-N 2 0 367.484 3.120 20 0 FGADRP CC[NH+]1CCN(Cc2ccccc2C[NH2+][C@@H]2CCCC23CCOCC3)CC1 ZINC000502281574 503174095 /nfs/dbraw/zinc/17/40/95/503174095.db2.gz YGDIYQWSXBZTNW-JOCHJYFZSA-N 2 0 371.569 3.263 20 0 FGADRP C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)[C@H]2C[C@]23CC[NH2+]C3)cc1 ZINC000514725024 503177765 /nfs/dbraw/zinc/17/77/65/503177765.db2.gz LKMOHDPMQWCSBA-GGAORHGYSA-N 2 0 363.505 3.031 20 0 FGADRP C[N@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)Nc2ccc3c(c2)C[NH2+]C3)C1 ZINC000514735431 503180129 /nfs/dbraw/zinc/18/01/29/503180129.db2.gz DCQAKKLCKLQVJA-OAQYLSRUSA-N 2 0 364.493 3.071 20 0 FGADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000506828174 503180139 /nfs/dbraw/zinc/18/01/39/503180139.db2.gz SOJPPXDAIAUVEZ-HSALFYBXSA-N 2 0 364.578 3.157 20 0 FGADRP Cc1cc(OCCC[C@H](C)[NH2+][C@H](C)CN2CC[NH+](C)CC2)ccc1Cl ZINC000510754043 503186223 /nfs/dbraw/zinc/18/62/23/503186223.db2.gz SNRHLQIAEMZYKZ-ZWKOTPCHSA-N 2 0 367.965 3.421 20 0 FGADRP CC(C)[NH+](CCNC(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1)C(C)C ZINC000506905187 503192145 /nfs/dbraw/zinc/19/21/45/503192145.db2.gz ZEGCPMBEAPWEQL-UXHICEINSA-N 2 0 366.594 3.401 20 0 FGADRP CCCC[N@H+](C)CC1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC000498505890 503198397 /nfs/dbraw/zinc/19/83/97/503198397.db2.gz NUMPDBCMHVHFQF-FQEVSTJZSA-N 2 0 351.579 3.467 20 0 FGADRP C[C@@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)c1cnn(C2CCCC2)c1 ZINC000502473319 503205787 /nfs/dbraw/zinc/20/57/87/503205787.db2.gz BRJMKHZBFLEYRY-MRXNPFEDSA-N 2 0 357.502 3.184 20 0 FGADRP C[NH+](C)[C@H](CNC(=O)[C@H]1CCC[N@@H+]1Cc1ccccc1)c1cccc(F)c1 ZINC000498597159 503223667 /nfs/dbraw/zinc/22/36/67/503223667.db2.gz DHIBBQNLZCFYQO-NHCUHLMSSA-N 2 0 369.484 3.209 20 0 FGADRP CC(C)[NH+]1CCN(CCCN(CC[NH+]2CCCCCC2)C2CCC2)CC1 ZINC000514959171 503236301 /nfs/dbraw/zinc/23/63/01/503236301.db2.gz PNNLJXGHTAXQTD-UHFFFAOYSA-N 2 0 364.622 3.133 20 0 FGADRP CC1CC[NH+](C2CCC(NC(=O)NCC[N@@H+]3CCC[C@@H](C)C3)CC2)CC1 ZINC000502632179 503241443 /nfs/dbraw/zinc/24/14/43/503241443.db2.gz TVBGNLOMNQSIFW-XEVCZEQESA-N 2 0 364.578 3.061 20 0 FGADRP CC[NH+](CC)CCOCC[NH2+][C@H]1CCc2ccc(Br)cc21 ZINC000511046582 503241634 /nfs/dbraw/zinc/24/16/34/503241634.db2.gz KXAAUDGLYFOGRN-KRWDZBQOSA-N 2 0 355.320 3.384 20 0 FGADRP Cc1oc(-c2ccsc2)nc1CN1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000490998829 503258371 /nfs/dbraw/zinc/25/83/71/503258371.db2.gz QWQLGKVISPTJTB-HNAYVOBHSA-N 2 0 374.554 3.169 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)N[C@H](C)C[N@H+](C)C(C)C)c1ccsc1 ZINC000515100876 503271827 /nfs/dbraw/zinc/27/18/27/503271827.db2.gz PTYJIYTYQZCVBI-WBVHZDCISA-N 2 0 354.564 3.159 20 0 FGADRP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]C[C@H](O)COc2ccccc2)CC1 ZINC000515205189 503292247 /nfs/dbraw/zinc/29/22/47/503292247.db2.gz JZLGEHIGQRXFIE-UGKGYDQZSA-N 2 0 368.521 3.112 20 0 FGADRP C[C@@H]([NH2+]CCCOC1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCCOC1 ZINC000507462975 503303256 /nfs/dbraw/zinc/30/32/56/503303256.db2.gz QVUMATYTWDCQBK-TZIWHRDSSA-N 2 0 360.542 3.462 20 0 FGADRP O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)N1CC[NH+](C2CCCC2)CC1 ZINC000515294653 503309245 /nfs/dbraw/zinc/30/92/45/503309245.db2.gz RCXFJKPMVIGSTG-OAQYLSRUSA-N 2 0 370.541 3.093 20 0 FGADRP C[C@H](CNC(=O)NCC(C)(C)[NH2+][C@H](C)c1ccccc1)C[NH+]1CCCC1 ZINC000503038352 503331495 /nfs/dbraw/zinc/33/14/95/503331495.db2.gz KMACFHGLWBKHNO-QZTJIDSGSA-N 2 0 360.546 3.147 20 0 FGADRP C[C@@H](C(=O)NCC1(C)CC[NH+](C)CC1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000507669011 503343593 /nfs/dbraw/zinc/34/35/93/503343593.db2.gz TYMRTASLJPCLMX-IBGZPJMESA-N 2 0 371.569 3.178 20 0 FGADRP CNC(=O)c1ccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cc1 ZINC000499149721 503344788 /nfs/dbraw/zinc/34/47/88/503344788.db2.gz HGMWOTMJDPMKMB-DKUWSORSSA-N 2 0 363.505 3.331 20 0 FGADRP Cc1ccccc1[C@H]([C@H](C)NC(=O)NCC(C)(C)C[NH+]1CCCC1)[NH+](C)C ZINC000503091112 503345504 /nfs/dbraw/zinc/34/55/04/503345504.db2.gz FGESTYAHWQBIHW-ICSRJNTNSA-N 2 0 374.573 3.407 20 0 FGADRP COC(=O)c1cccc(C[NH2+][C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000492510955 503372034 /nfs/dbraw/zinc/37/20/34/503372034.db2.gz AHVKGALECDPWCJ-UTKZUKDTSA-N 2 0 352.478 3.473 20 0 FGADRP C[NH+](C)CCNC(=O)c1ccc(C[NH2+]C/C=C\c2ccc(F)c(F)c2)cc1 ZINC000512073113 503450748 /nfs/dbraw/zinc/45/07/48/503450748.db2.gz PVBVNQBIZHMPPQ-ARJAWSKDSA-N 2 0 373.447 3.059 20 0 FGADRP CC(C)[NH+]1CCN(c2cccc(NC(=O)CC[C@@H]3CCCC[N@@H+]3C)c2)CC1 ZINC000503650990 503451712 /nfs/dbraw/zinc/45/17/12/503451712.db2.gz SSWDEXHONCZEHS-FQEVSTJZSA-N 2 0 372.557 3.420 20 0 FGADRP CC[NH+]1CCN(c2ccc(C[NH2+]C/C=C/c3ccc(F)c(F)c3)cn2)CC1 ZINC000512134167 503465533 /nfs/dbraw/zinc/46/55/33/503465533.db2.gz YAMIAVPJHOHBSP-ONEGZZNKSA-N 2 0 372.463 3.305 20 0 FGADRP C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)N[C@@H]2CC[NH+](C3CC3)C2)c1 ZINC000512167325 503474682 /nfs/dbraw/zinc/47/46/82/503474682.db2.gz QNJNAPLZPYODJN-OAQYLSRUSA-N 2 0 363.505 3.285 20 0 FGADRP C[C@@H]1[C@@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000494079381 503484239 /nfs/dbraw/zinc/48/42/39/503484239.db2.gz NPBPQKZLJZVOMN-UZKOGDIHSA-N 2 0 369.553 3.420 20 0 FGADRP CN(CCC[NH+]1CCCC1)CC(=O)N(Cc1cccc(F)c1)C(C)(C)C ZINC000499911234 503509348 /nfs/dbraw/zinc/50/93/48/503509348.db2.gz DJNUPJYFPTVIFV-UHFFFAOYSA-N 2 0 363.521 3.371 20 0 FGADRP CC[NH+]1CCC(CNC(=O)NC(C)(C)CC[NH+]2CCCCCC2)CC1 ZINC000516525019 503527654 /nfs/dbraw/zinc/52/76/54/503527654.db2.gz YXRZVPZVNYMLMX-UHFFFAOYSA-N 2 0 352.567 3.062 20 0 FGADRP C[N@H+]1CC=C(C[NH2+]Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)CC1 ZINC000494415886 503538568 /nfs/dbraw/zinc/53/85/68/503538568.db2.gz ZFMZUFFUQYUWIN-UHFFFAOYSA-N 2 0 364.415 3.302 20 0 FGADRP CC[NH+](CC)Cc1ccc(C(=O)N2CC([N@H+](C)Cc3ccccc3)C2)cc1 ZINC000512421863 503544741 /nfs/dbraw/zinc/54/47/41/503544741.db2.gz WGAWDLMRXUCGDK-UHFFFAOYSA-N 2 0 365.521 3.485 20 0 FGADRP C[C@@H]1[C@@H](NC(=O)NC2CCC(C[NH+](C)C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000500113458 503556762 /nfs/dbraw/zinc/55/67/62/503556762.db2.gz VCFVUVWWBDYDBC-GHOZHQTGSA-N 2 0 372.557 3.069 20 0 FGADRP Fc1ccccc1-c1n[nH]cc1C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000512467928 503561904 /nfs/dbraw/zinc/56/19/04/503561904.db2.gz GUKMFTHCCXYNBC-UHFFFAOYSA-N 2 0 372.488 3.150 20 0 FGADRP C[NH+]1CCC(C[NH2+]Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)CC1 ZINC000494575259 503567433 /nfs/dbraw/zinc/56/74/33/503567433.db2.gz QUVXTZLXUAEXRX-UHFFFAOYSA-N 2 0 366.431 3.382 20 0 FGADRP CC(C)[N@H+](C)CCNC(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000494601082 503572252 /nfs/dbraw/zinc/57/22/52/503572252.db2.gz LAJGJONHAMNGON-UHFFFAOYSA-N 2 0 360.546 3.202 20 0 FGADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N[C@@H](C)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000500182978 503573054 /nfs/dbraw/zinc/57/30/54/503573054.db2.gz MIIOKXNGMYIKIJ-QKNQBKEWSA-N 2 0 374.573 3.345 20 0 FGADRP C[C@H](NC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1)[C@@H](c1ccccc1)[NH+](C)C ZINC000508867944 503582948 /nfs/dbraw/zinc/58/29/48/503582948.db2.gz UNRFSJZYFNXBCV-TYPHKJRUSA-N 2 0 372.557 3.338 20 0 FGADRP CC(C)(C)[C@@H](C[N@@H+]1CCc2ccccc2C1)NC(=O)CC[C@H]1CCC[NH2+]1 ZINC000494654365 503584886 /nfs/dbraw/zinc/58/48/86/503584886.db2.gz NLDXEWQHELDGDP-WOJBJXKFSA-N 2 0 357.542 3.108 20 0 FGADRP Cc1ccccc1[C@H]([C@H](C)NC(=O)N1CCC[C@@H]([NH+]2CCCC2)C1)[NH+](C)C ZINC000508894675 503592342 /nfs/dbraw/zinc/59/23/42/503592342.db2.gz GDJMRAMEFDCTHL-ZVDOUQERSA-N 2 0 372.557 3.256 20 0 FGADRP C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N2CC[C@@H](C)[C@H](C[NH3+])C2)C1 ZINC000582715077 506381967 /nfs/dbraw/zinc/38/19/67/506381967.db2.gz LAQDIDLMORPEFC-DBXWQHBBSA-N 2 0 372.557 3.045 20 0 FGADRP CCCOc1ccc(C[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cn1 ZINC000582719603 506383395 /nfs/dbraw/zinc/38/33/95/506383395.db2.gz MJBDTVQVKWFTLC-NQIIRXRSSA-N 2 0 353.466 3.216 20 0 FGADRP COCCC[NH+]1CCC([NH2+][C@@H](C[C@H]2CCOC2)c2ccc(F)cc2)CC1 ZINC000495056428 503654737 /nfs/dbraw/zinc/65/47/37/503654737.db2.gz CTROWQGOTXODQY-UTKZUKDTSA-N 2 0 364.505 3.384 20 0 FGADRP CC(C)(C)[C@H]1CCC[N@@H+]1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000532969620 503680661 /nfs/dbraw/zinc/68/06/61/503680661.db2.gz LUWGCYMHSXDGEQ-HXUWFJFHSA-N 2 0 357.542 3.409 20 0 FGADRP C[C@@H]1CC[N@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CC12CCC2 ZINC000536719770 503695124 /nfs/dbraw/zinc/69/51/24/503695124.db2.gz ZZFTWYIGODCOCU-LJQANCHMSA-N 2 0 369.553 3.411 20 0 FGADRP COc1cc(C)ccc1[C@@H](C)[NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000540171600 503695820 /nfs/dbraw/zinc/69/58/20/503695820.db2.gz SQMAXPLPIMUZHY-QGZVFWFLSA-N 2 0 369.509 3.146 20 0 FGADRP C[C@@H]1CCCC[C@@H]1C[NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000543245294 503697023 /nfs/dbraw/zinc/69/70/23/503697023.db2.gz BTPGQAYTADNRRC-UIFIKXQLSA-N 2 0 357.542 3.300 20 0 FGADRP CC(C)(C)[C@@H]1CC[N@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000543248313 503698085 /nfs/dbraw/zinc/69/80/85/503698085.db2.gz WYGAIRFWWFLZNF-HXUWFJFHSA-N 2 0 357.542 3.267 20 0 FGADRP C[N@H+](CCC(=O)N1C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1)C1CCCCC1 ZINC000527189259 503712326 /nfs/dbraw/zinc/71/23/26/503712326.db2.gz HSNYKCOVCLYEMA-OYRHEFFESA-N 2 0 369.553 3.231 20 0 FGADRP C[C@H](CCNC(=O)Nc1cccc(OCC[NH+](C)C)c1)[NH+]1CCCCC1 ZINC000543293797 503714315 /nfs/dbraw/zinc/71/43/15/503714315.db2.gz VHVUMAGRTBIOAQ-QGZVFWFLSA-N 2 0 362.518 3.013 20 0 FGADRP C[C@H](CCNC(=O)N[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1)[NH+]1CCCCC1 ZINC000543299869 503716087 /nfs/dbraw/zinc/71/60/87/503716087.db2.gz FBGQNBITVBAZAK-DYXWJJEUSA-N 2 0 372.557 3.386 20 0 FGADRP CC(C)[C@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)c1ccc2[nH]c(=O)oc2c1 ZINC000540300942 503732313 /nfs/dbraw/zinc/73/23/13/503732313.db2.gz FIWWBDMTYBKZON-LPHOPBHVSA-N 2 0 361.486 3.057 20 0 FGADRP C[C@H]([NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000536855927 503741815 /nfs/dbraw/zinc/74/18/15/503741815.db2.gz CHLIEBUOTZTZQB-ZACQAIPSSA-N 2 0 373.541 3.456 20 0 FGADRP C[C@H]1Cc2ccc(F)cc2[C@@H]1[NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000536857000 503741995 /nfs/dbraw/zinc/74/19/95/503741995.db2.gz IDOXBZXSPAWIJS-YCRPNKLZSA-N 2 0 369.484 3.140 20 0 FGADRP CCc1ccc([C@H](CN2CCOCC2)[NH2+]CCC2CC[NH+](CC)CC2)cc1 ZINC000543403083 503756312 /nfs/dbraw/zinc/75/63/12/503756312.db2.gz RMGTYHZKNXGVTJ-QHCPKHFHSA-N 2 0 373.585 3.334 20 0 FGADRP C[C@@H](CC[NH2+][C@@H](C)[C@@H](c1ccccc1)N1CCOCC1)[NH+]1CCCCC1 ZINC000543417892 503762032 /nfs/dbraw/zinc/76/20/32/503762032.db2.gz HHFBIZGFYBHTNI-ONTIZHBOSA-N 2 0 359.558 3.303 20 0 FGADRP O=C(NC[C@@H]1CC[N@@H+]1C1CCCC1)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000530024183 503797679 /nfs/dbraw/zinc/79/76/79/503797679.db2.gz KVFRDBBOIYTCLD-FPOVZHCZSA-N 2 0 355.526 3.032 20 0 FGADRP C[NH+]1CCC2(CC1)C[C@@H](NCCC[NH+]1CCCCC1)c1ccccc1O2 ZINC000537167891 503825898 /nfs/dbraw/zinc/82/58/98/503825898.db2.gz LAQMULMBQGPYAK-HXUWFJFHSA-N 2 0 357.542 3.440 20 0 FGADRP CCN1CCCC[C@@H]1C[NH2+][C@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21 ZINC000537193310 503835488 /nfs/dbraw/zinc/83/54/88/503835488.db2.gz BAYHYPRXKDHPPA-QUCCMNQESA-N 2 0 357.542 3.439 20 0 FGADRP CCO[C@@H]1C[C@@H]([NH2+][C@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)C1(C)C ZINC000537296632 503872416 /nfs/dbraw/zinc/87/24/16/503872416.db2.gz VGCAUHJXQIBIGI-CDHQVMDDSA-N 2 0 363.521 3.432 20 0 FGADRP CCC1(CC)[C@H]([NH2+][C@H](CN2CC[NH+](C)CC2)c2ccccc2)C[C@@H]1OC ZINC000537295235 503872655 /nfs/dbraw/zinc/87/26/55/503872655.db2.gz KAFYESVPNXTHLL-NJYVYQBISA-N 2 0 359.558 3.158 20 0 FGADRP CC[N@H+](CC(=O)NCc1ccc(C[NH+]2C[C@@H](C)C[C@H](C)C2)cc1)C1CC1 ZINC000533527633 503876559 /nfs/dbraw/zinc/87/65/59/503876559.db2.gz ZWRJMSGBXSFNQZ-ROUUACIJSA-N 2 0 357.542 3.265 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)c1c[nH+]ccc1N(C)C ZINC000546790042 503879206 /nfs/dbraw/zinc/87/92/06/503879206.db2.gz YXPDPZQSQVEQGJ-QGZVFWFLSA-N 2 0 366.509 3.452 20 0 FGADRP OC[C@H](C[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)Cc1ccco1 ZINC000543762210 503883139 /nfs/dbraw/zinc/88/31/39/503883139.db2.gz ISNZKCFPDVAAFX-BAMDZGJYSA-N 2 0 368.521 3.321 20 0 FGADRP CCC[NH+]1CCN(c2ccccc2C[NH2+]CC2([C@@H](O)C(C)C)CC2)CC1 ZINC000537383244 503897130 /nfs/dbraw/zinc/89/71/30/503897130.db2.gz KZGHIQUWXIGTMR-NRFANRHFSA-N 2 0 359.558 3.105 20 0 FGADRP CC[N@H+](C)[C@@H](C(=O)N1CCN(Cc2ccsc2)CC1)c1ccccc1 ZINC000533811192 503959597 /nfs/dbraw/zinc/95/95/97/503959597.db2.gz MIPQNOHWZJJDFQ-LJQANCHMSA-N 2 0 357.523 3.085 20 0 FGADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]C[C@@H](O)COc2ccc(Cl)cc2)C1 ZINC000518361711 503963515 /nfs/dbraw/zinc/96/35/15/503963515.db2.gz DQNWFWOEXQLFQC-SJLPKXTDSA-N 2 0 354.922 3.037 20 0 FGADRP CC(C)[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1ccc(F)cn1 ZINC000540988818 503966392 /nfs/dbraw/zinc/96/63/92/503966392.db2.gz QELLTYXAMYSQGY-FPOVZHCZSA-N 2 0 357.473 3.274 20 0 FGADRP C[C@H](C(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1)[NH+]1[C@H](C)CC[C@H]1C ZINC000518457907 503992104 /nfs/dbraw/zinc/99/21/04/503992104.db2.gz WCNHAUQHGJYCSG-GUDVDZBRSA-N 2 0 373.541 3.039 20 0 FGADRP C[C@@H]1C[N@@H+](CC2CC[NH+](C[C@@H]3CCC4(CCCC4)O3)CC2)C[C@H](C)O1 ZINC000530516657 503994964 /nfs/dbraw/zinc/99/49/64/503994964.db2.gz GXGORJJQGOZYRO-NSHGMRRFSA-N 2 0 350.547 3.299 20 0 FGADRP C[C@H](CCc1n[nH]c2ccccc21)[NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000541155296 504024808 /nfs/dbraw/zinc/02/48/08/504024808.db2.gz BGWNVNKYAXURGG-KURKYZTESA-N 2 0 358.530 3.363 20 0 FGADRP Cc1ccc([C@H](CCn2cncn2)[NH2+]C[C@H]2CCN2C2CCCC2)cc1 ZINC000528001762 504034050 /nfs/dbraw/zinc/03/40/50/504034050.db2.gz NAOULOGZYXKAAD-RTWAWAEBSA-N 2 0 353.514 3.324 20 0 FGADRP CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+]C[C@@H]2CCN2C2CCCC2)cc1 ZINC000528011622 504039182 /nfs/dbraw/zinc/03/91/82/504039182.db2.gz MLKPQDAAWNUXBZ-KXBFYZLASA-N 2 0 365.543 3.116 20 0 FGADRP CC(C)[NH+]1CCC([NH2+]C[C@H](CO)Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000541231570 504052125 /nfs/dbraw/zinc/05/21/25/504052125.db2.gz RHJMSKYTHYCEBS-MRXNPFEDSA-N 2 0 358.448 3.319 20 0 FGADRP COC(=O)c1ccc(C[NH+]2CCC(CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc1 ZINC000530701165 504056867 /nfs/dbraw/zinc/05/68/67/504056867.db2.gz FUBVZAXFHUHRBC-HDICACEKSA-N 2 0 374.525 3.185 20 0 FGADRP Cc1c[nH+]ccc1N1CCC(C(=O)NCCCC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000530727571 504066506 /nfs/dbraw/zinc/06/65/06/504066506.db2.gz QJXCRSSLCZXZDD-IBGZPJMESA-N 2 0 372.557 3.377 20 0 FGADRP CC(C)[N@H+](C)CC1CCN(C(=O)NCC[C@@H](C)[NH+]2CCCCC2)CC1 ZINC000544332570 504091422 /nfs/dbraw/zinc/09/14/22/504091422.db2.gz RLOGOJDRZPWHAJ-GOSISDBHSA-N 2 0 352.567 3.013 20 0 FGADRP CC[C@H](C(=O)NC[C@@H](C(C)C)[N@@H+]1CCc2ccccc2C1)[NH+](CC)CC ZINC000530812503 504093952 /nfs/dbraw/zinc/09/39/52/504093952.db2.gz RXBWATHCTLJQKZ-RTWAWAEBSA-N 2 0 359.558 3.306 20 0 FGADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCC[C@H](c2noc(C3CC3)n2)C1 ZINC000544350631 504098476 /nfs/dbraw/zinc/09/84/76/504098476.db2.gz KARUANYOOHYSDP-INIZCTEOSA-N 2 0 364.453 3.216 20 0 FGADRP C[N@H+](CCC(=O)N1CCC[NH+](Cc2ccccc2)CC1)C1CCCCC1 ZINC000547429898 504101771 /nfs/dbraw/zinc/10/17/71/504101771.db2.gz BPYLTHCDAFMALZ-UHFFFAOYSA-N 2 0 357.542 3.376 20 0 FGADRP CCC[NH+]1CCC(C[NH2+][C@@H](CN2CCOCC2)c2ccc(CC)cc2)CC1 ZINC000544358867 504102343 /nfs/dbraw/zinc/10/23/43/504102343.db2.gz DLLNCPPWUSLHHQ-QHCPKHFHSA-N 2 0 373.585 3.334 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1CCNC(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000530840626 504103096 /nfs/dbraw/zinc/10/30/96/504103096.db2.gz BHUCVKBVCFMMSE-CRAIPNDOSA-N 2 0 366.937 3.116 20 0 FGADRP CC(C)[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1ccc(Cl)cc1 ZINC000538098189 504132995 /nfs/dbraw/zinc/13/29/95/504132995.db2.gz CODQWDGUCRWJJF-AEFFLSMTSA-N 2 0 351.922 3.214 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cccc(C(F)F)c1 ZINC000519099438 504139955 /nfs/dbraw/zinc/13/99/55/504139955.db2.gz SVXNHBRCZLQDIZ-KRWDZBQOSA-N 2 0 353.457 3.112 20 0 FGADRP C[C@@H](NC(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)C)C(C)(C)C[NH+](C)C ZINC000531013144 504162926 /nfs/dbraw/zinc/16/29/26/504162926.db2.gz VTCHGAUKIZNKRD-RHSMWYFYSA-N 2 0 368.953 3.218 20 0 FGADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2cn(C)nc2C2CCCCC2)C1 ZINC000541536230 504168861 /nfs/dbraw/zinc/16/88/61/504168861.db2.gz GPYWBYKZWWXPTC-HXUWFJFHSA-N 2 0 362.562 3.401 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cccc(C(F)F)c1F ZINC000528335175 504174979 /nfs/dbraw/zinc/17/49/79/504174979.db2.gz NALRJKJFAHYUSP-AWEZNQCLSA-N 2 0 371.447 3.251 20 0 FGADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH+]1CCC(n2cc(Cl)cn2)CC1 ZINC000541556347 504175539 /nfs/dbraw/zinc/17/55/39/504175539.db2.gz SNRULSDXYSBDDF-UHFFFAOYSA-N 2 0 356.861 3.263 20 0 FGADRP CCCC[N@H+](C)CC1CCN(C(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)CC1 ZINC000519294377 504184588 /nfs/dbraw/zinc/18/45/88/504184588.db2.gz UIOGCCROVJZGIT-LJQANCHMSA-N 2 0 366.594 3.260 20 0 FGADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)NC[C@@H](c1ccc(OC)cc1)[NH+]1CCCC1 ZINC000541582430 504185882 /nfs/dbraw/zinc/18/58/82/504185882.db2.gz XCAATJQIOXLBCC-LPHOPBHVSA-N 2 0 361.530 3.115 20 0 FGADRP CC[NH+](CC)CC1CCN(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)CC1 ZINC000534721168 504224112 /nfs/dbraw/zinc/22/41/12/504224112.db2.gz KRGBQOZHLIZBFS-NHCUHLMSSA-N 2 0 372.557 3.195 20 0 FGADRP C[NH+](C)CCN(CC[NH+](C)C)Cc1csc(-c2ccc(Cl)cc2)n1 ZINC000519568069 504256072 /nfs/dbraw/zinc/25/60/72/504256072.db2.gz OSKXKVVTWNDWKV-UHFFFAOYSA-N 2 0 366.962 3.389 20 0 FGADRP C[NH+](C)[C@H](CNC(=O)NCCC[NH+]1CCCCC1)c1ccc(Cl)cc1 ZINC000531316981 504262909 /nfs/dbraw/zinc/26/29/09/504262909.db2.gz UWFKIUMKKNUORS-GOSISDBHSA-N 2 0 366.937 3.118 20 0 FGADRP C[C@H]([NH2+]C[C@@H]1COc2ccccc2O1)c1ccc(OCC[NH+](C)C)cc1 ZINC000538508305 504267693 /nfs/dbraw/zinc/26/76/93/504267693.db2.gz HLTVAYQPPSCDDQ-QFBILLFUSA-N 2 0 356.466 3.118 20 0 FGADRP CCc1ccc([C@H](C)[NH2+][C@@H](Cc2ccccc2)C(=O)NCC[NH+](C)C)s1 ZINC000538589321 504295819 /nfs/dbraw/zinc/29/58/19/504295819.db2.gz YKKQBMDLDSAEJZ-LPHOPBHVSA-N 2 0 373.566 3.250 20 0 FGADRP NC(=O)[C@H]1CCC[N@H+](Cc2cccc(C[NH2+]CC3CCCCCC3)c2)C1 ZINC000531490245 504325897 /nfs/dbraw/zinc/32/58/97/504325897.db2.gz WXJNBFYBMWOIAZ-NRFANRHFSA-N 2 0 357.542 3.444 20 0 FGADRP C[NH+](C)[C@H](CNC(=O)C[N@H+](C)[C@H]1CCCc2ccccc21)c1ccccc1 ZINC000548113648 504334654 /nfs/dbraw/zinc/33/46/54/504334654.db2.gz GVSAVYFFLKOGCO-FCHUYYIVSA-N 2 0 365.521 3.415 20 0 FGADRP CC[NH+](CC)CCOC1CC[NH+](Cc2c[nH]nc2-c2cccs2)CC1 ZINC000538762544 504360554 /nfs/dbraw/zinc/36/05/54/504360554.db2.gz WNPQGZWUFNBYAS-UHFFFAOYSA-N 2 0 362.543 3.461 20 0 FGADRP C[NH+](C)C1(CNC(=O)N2CCC[N@@H+](C(C)(C)C)CC2)CCCCCC1 ZINC000519924623 504385114 /nfs/dbraw/zinc/38/51/14/504385114.db2.gz IDHFOTCFXOJONB-UHFFFAOYSA-N 2 0 352.567 3.157 20 0 FGADRP CN(CCC[NH+]1CCCC1)C(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000542169559 504390890 /nfs/dbraw/zinc/39/08/90/504390890.db2.gz SSJKHPOESRGOBL-SFHVURJKSA-N 2 0 366.937 3.070 20 0 FGADRP C[C@H](C[NH2+][C@H](C)c1sccc1Br)CN1CC[NH+](C)CC1 ZINC000531705573 504398403 /nfs/dbraw/zinc/39/84/03/504398403.db2.gz URZBSMJWSPSIBQ-CHWSQXEVSA-N 2 0 360.365 3.045 20 0 FGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCOc2ccc(F)cc2F)[C@H](C)C1 ZINC000531738238 504408295 /nfs/dbraw/zinc/40/82/95/504408295.db2.gz BJHLGTQCLLMNSI-CRAIPNDOSA-N 2 0 356.457 3.070 20 0 FGADRP C[C@@H]1CCC[C@@](CNC(=O)N2CCC[N@@H+](C(C)(C)C)CC2)([NH+](C)C)C1 ZINC000520192375 504431253 /nfs/dbraw/zinc/43/12/53/504431253.db2.gz OYCSAFZQFJMLJG-YLJYHZDGSA-N 2 0 352.567 3.013 20 0 FGADRP CN(C(=O)[C@@H]1CCCC12CC2)[C@@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000528892681 504436805 /nfs/dbraw/zinc/43/68/05/504436805.db2.gz IDJSKCNZIBWEFO-XUVXKRRUSA-N 2 0 361.574 3.362 20 0 FGADRP C[C@@H]([NH2+][C@@H](C)CCN1CC[NH+](C)CC1)c1sccc1Br ZINC000545311236 504440391 /nfs/dbraw/zinc/44/03/91/504440391.db2.gz KSAXHIXLQAFOBR-QWHCGFSZSA-N 2 0 360.365 3.187 20 0 FGADRP Cc1nn(C)c(C)c1CCC[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000548481925 504461807 /nfs/dbraw/zinc/46/18/07/504461807.db2.gz SUUCIGFAXAWCHJ-LAUBAEHRSA-N 2 0 354.542 3.470 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1cccc2cc[nH]c21 ZINC000548507107 504470963 /nfs/dbraw/zinc/47/09/63/504470963.db2.gz STOVQALGIJYSII-KRWDZBQOSA-N 2 0 357.502 3.048 20 0 FGADRP C[C@H]1C[C@@H]([NH2+]CCNc2ncc(C(F)(F)F)cc2Cl)CC[N@@H+]1C ZINC000531977619 504493642 /nfs/dbraw/zinc/49/36/42/504493642.db2.gz FSHBUOPPMXWDEA-JQWIXIFHSA-N 2 0 350.816 3.238 20 0 FGADRP CC[C@H](O)C[N@H+](Cc1cn(-c2cc[nH+]cc2)nc1C)Cc1ccccc1 ZINC000542466465 504501882 /nfs/dbraw/zinc/50/18/82/504501882.db2.gz GWOMADAUNQSESE-NRFANRHFSA-N 2 0 350.466 3.349 20 0 FGADRP CN1CCC([NH+]2CCC(CC[N@H+](C)CC[C@H]3CCCCO3)CC2)CC1 ZINC000542505809 504517777 /nfs/dbraw/zinc/51/77/77/504517777.db2.gz MZMNAXJAFDHVQA-OAQYLSRUSA-N 2 0 351.579 3.074 20 0 FGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]CCN2CCCCC2)CC1 ZINC000539308381 504525349 /nfs/dbraw/zinc/52/53/49/504525349.db2.gz HKJMLCUWKHNEPE-GOSISDBHSA-N 2 0 362.537 3.104 20 0 FGADRP C[C@H]([NH2+][C@@H](CN1CC[NH+](C)CC1)c1ccccc1)c1ccc2c(c1)COC2 ZINC000532214323 504575368 /nfs/dbraw/zinc/57/53/68/504575368.db2.gz KDGWMTXKSBVENX-MBSDFSHPSA-N 2 0 365.521 3.356 20 0 FGADRP C[C@H](CC[NH+](C)C)[NH2+][C@@H](C)CC(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000532217806 504576180 /nfs/dbraw/zinc/57/61/80/504576180.db2.gz JMTGIVSLMODJCX-OLZOCXBDSA-N 2 0 361.408 3.232 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)c2ccccc2CC[NH3+])cc1 ZINC000520830574 504592131 /nfs/dbraw/zinc/59/21/31/504592131.db2.gz OBRFGYIRVPJYLJ-GOSISDBHSA-N 2 0 365.521 3.492 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000529284150 504619199 /nfs/dbraw/zinc/61/91/99/504619199.db2.gz CROSVSITDKYWBH-XLIONFOSSA-N 2 0 370.541 3.145 20 0 FGADRP CC(C)C[C@H]([NH2+][C@H]1CCc2cc(Cl)ccc21)C(=O)NCC[NH+](C)C ZINC000539645226 504638294 /nfs/dbraw/zinc/63/82/94/504638294.db2.gz LYFCZWQDPBCXKA-ROUUACIJSA-N 2 0 351.922 3.009 20 0 FGADRP C[NH+](C)CCCC1CCN(C(=O)c2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000549038438 504663197 /nfs/dbraw/zinc/66/31/97/504663197.db2.gz VZAIDIDVTNSKGH-UHFFFAOYSA-N 2 0 357.542 3.476 20 0 FGADRP C[C@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)c1sccc1Br ZINC000532482126 504665371 /nfs/dbraw/zinc/66/53/71/504665371.db2.gz OWVUSIDCXUJBAW-ZDUSSCGKSA-N 2 0 374.392 3.435 20 0 FGADRP C[C@H]([NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1)c1ccc(Cl)cc1 ZINC000532485411 504666335 /nfs/dbraw/zinc/66/63/35/504666335.db2.gz IVRGHPZBWYTELW-KRWDZBQOSA-N 2 0 373.932 3.383 20 0 FGADRP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[NH+]1CCC(C)(C)CC1 ZINC000532523741 504682478 /nfs/dbraw/zinc/68/24/78/504682478.db2.gz HRBXISMCMBQRBA-SFHVURJKSA-N 2 0 357.542 3.278 20 0 FGADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](C[C@@H](OC)c2ccc(Cl)cc2)C1 ZINC000549137517 504698435 /nfs/dbraw/zinc/69/84/35/504698435.db2.gz UOXGJSFIGGKZRQ-RBUKOAKNSA-N 2 0 354.922 3.460 20 0 FGADRP CC(C)[NH+]1CCC([NH2+]C[C@@H](CO)Cc2ccccc2C(F)(F)F)CC1 ZINC000543090087 504720751 /nfs/dbraw/zinc/72/07/51/504720751.db2.gz PHAHXOLQMKHDIA-HNNXBMFYSA-N 2 0 358.448 3.319 20 0 FGADRP C[C@H](c1ccc(F)cc1)N1CC[C@H]([NH+]2CCC(C[NH+]3CCCC3)CC2)C1=O ZINC000521469129 504743203 /nfs/dbraw/zinc/74/32/03/504743203.db2.gz XYNIQOYRLFPOKD-UTKZUKDTSA-N 2 0 373.516 3.295 20 0 FGADRP CC[NH+](CC)C[C@@H](C)NC(=O)N(CC[NH+](C)C)Cc1cccc(Cl)c1 ZINC000521602951 504763035 /nfs/dbraw/zinc/76/30/35/504763035.db2.gz KVESLDJYBUWUMA-MRXNPFEDSA-N 2 0 368.953 3.144 20 0 FGADRP C[C@@H](NC(=O)NC(C)(C)C[N@H+](C)Cc1ccccc1)C(C)(C)C[NH+](C)C ZINC000532842178 504766101 /nfs/dbraw/zinc/76/61/01/504766101.db2.gz HUFLRRWIPBOYFI-QGZVFWFLSA-N 2 0 362.562 3.173 20 0 FGADRP CCC[NH+]1CCC(CNC(=O)N[C@]2(C)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000565061286 504784412 /nfs/dbraw/zinc/78/44/12/504784412.db2.gz AMDXMOMHRBBXAC-JOCHJYFZSA-N 2 0 372.557 3.072 20 0 FGADRP O=C1C[C@H](C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)CN1C1CC1 ZINC000565095182 504792529 /nfs/dbraw/zinc/79/25/29/504792529.db2.gz QYVIBUFUCUIVFK-FVTFTPSCSA-N 2 0 367.537 3.030 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1CCC(=O)N1CC[C@H](C)[NH+](Cc2ccccc2)CC1 ZINC000559276614 504817312 /nfs/dbraw/zinc/81/73/12/504817312.db2.gz SZQPUWDABLUTJL-UXHICEINSA-N 2 0 357.542 3.374 20 0 FGADRP CN(c1ccccc1C[NH2+]C[C@H](CO)C1CCCCC1)C1CC[NH+](C)CC1 ZINC000559333619 504837631 /nfs/dbraw/zinc/83/76/31/504837631.db2.gz OMNYNTZHWXGZBH-OAQYLSRUSA-N 2 0 373.585 3.495 20 0 FGADRP O=C(CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)Nc1cccnc1 ZINC000565358663 504865247 /nfs/dbraw/zinc/86/52/47/504865247.db2.gz HDNNTVSVSCUKGZ-SEJPIABJSA-N 2 0 364.493 3.195 20 0 FGADRP C[C@@H](NC(=O)[C@H](C)[NH+]1CCC(CC[NH3+])CC1)c1ccc2c(c1)CCCC2 ZINC000565428897 504884636 /nfs/dbraw/zinc/88/46/36/504884636.db2.gz XYCRUHLTFGBZBS-SJORKVTESA-N 2 0 357.542 3.192 20 0 FGADRP CC[NH+](CC)CCOC1CC[NH+](Cc2ccc(C(F)(F)F)cn2)CC1 ZINC000556497132 504889111 /nfs/dbraw/zinc/88/91/11/504889111.db2.gz FNIKWFHSHLIWOU-UHFFFAOYSA-N 2 0 359.436 3.423 20 0 FGADRP CCC[C@@]1([NH2+]Cc2cncc(C[NH2+][C@@]3(CCC)CCOC3)c2)CCOC1 ZINC000562706111 504915928 /nfs/dbraw/zinc/91/59/28/504915928.db2.gz BLIQEFMCPUMVKQ-OYRHEFFESA-N 2 0 361.530 3.179 20 0 FGADRP Fc1ccc(C[NH+]2CCC3(CCO3)CC2)cc1C[NH+]1CCC2(CCO2)CC1 ZINC000562709408 504917131 /nfs/dbraw/zinc/91/71/31/504917131.db2.gz UPCKEEPLXOXHTF-UHFFFAOYSA-N 2 0 374.500 3.336 20 0 FGADRP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]C1CCC(CS(C)(=O)=O)CC1 ZINC000559774290 504926627 /nfs/dbraw/zinc/92/66/27/504926627.db2.gz POTNCQFKXGAWJT-CHPDAQJUSA-N 2 0 358.592 3.080 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H](O)Cc1ccc(F)cc1 ZINC000549938688 504940134 /nfs/dbraw/zinc/94/01/34/504940134.db2.gz FCBXQWINIHGROX-VOQZNFBZSA-N 2 0 356.485 3.229 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H](O)Cc1ccc(F)cc1 ZINC000549938691 504940519 /nfs/dbraw/zinc/94/05/19/504940519.db2.gz FCBXQWINIHGROX-ZPMCFJSWSA-N 2 0 356.485 3.229 20 0 FGADRP COc1ccncc1CN[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000559870626 504940903 /nfs/dbraw/zinc/94/09/03/504940903.db2.gz GXPCWSRFOCQEQJ-HMXCVIKNSA-N 2 0 351.494 3.481 20 0 FGADRP c1ccc(C[NH+]2CC[C@@H]3C[N@@H+](CCCO[C@@H]4CCCCO4)C[C@@H]3C2)cc1 ZINC000565686136 504958436 /nfs/dbraw/zinc/95/84/36/504958436.db2.gz SLQMTUWQLFYXIH-YPAWHYETSA-N 2 0 358.526 3.374 20 0 FGADRP CC[NH+](CC)C[C@@H](C)NC(=O)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000553598619 504959321 /nfs/dbraw/zinc/95/93/21/504959321.db2.gz DJLXCFPXYAQVMF-DENIHFKCSA-N 2 0 372.557 3.024 20 0 FGADRP Cc1c[nH+]ccc1N1CCC(C(=O)Nc2ccc(C[NH+](C)C)cc2F)CC1 ZINC000556828387 504987139 /nfs/dbraw/zinc/98/71/39/504987139.db2.gz IXRQGQFBLHCIDA-UHFFFAOYSA-N 2 0 370.472 3.446 20 0 FGADRP Cc1ccc(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)cn1 ZINC000550270262 505008275 /nfs/dbraw/zinc/00/82/75/505008275.db2.gz LFWVDAUXKQKXQB-QFIPXVFZSA-N 2 0 365.521 3.408 20 0 FGADRP O[C@@H](C[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)COc1ccc(-c2ccccc2)cc1 ZINC000562987323 505010950 /nfs/dbraw/zinc/01/09/50/505010950.db2.gz GTMBCVTXSZYRSR-AVRDEDQJSA-N 2 0 366.505 3.167 20 0 FGADRP Cc1cc2ncn(C[C@H](O)C[NH2+][C@@H](C)c3nc4ccccc4[nH]3)c2cc1C ZINC000562997144 505013753 /nfs/dbraw/zinc/01/37/53/505013753.db2.gz LBIQRXSQOSRMAQ-JKSUJKDBSA-N 2 0 363.465 3.241 20 0 FGADRP COc1ccc(O[C@H](C)C[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000566089326 505076865 /nfs/dbraw/zinc/07/68/65/505076865.db2.gz YUWYCRGURONJLI-BUVFEPMLSA-N 2 0 368.477 3.308 20 0 FGADRP CC(C)(C)c1ccc(OC[C@H](O)C[NH2+]C2CC[NH+](C3CCC3)CC2)cc1 ZINC000566119732 505088278 /nfs/dbraw/zinc/08/82/78/505088278.db2.gz ARZOKDPGHAEICF-HXUWFJFHSA-N 2 0 360.542 3.330 20 0 FGADRP C[C@H]([NH2+]C[C@H](O)CO[C@@H](C)c1ccc(Cl)cc1)C1=CC[N@H+](C)CC1 ZINC000566131802 505092678 /nfs/dbraw/zinc/09/26/78/505092678.db2.gz PPZIIDRTAMFNFW-DOXZYTNZSA-N 2 0 352.906 3.019 20 0 FGADRP CC1CC[NH+](Cc2cccc(CNC(=O)C[C@H]3CCCC[C@H]3[NH3+])c2)CC1 ZINC000566157404 505100150 /nfs/dbraw/zinc/10/01/50/505100150.db2.gz FDEQREYRENDLNQ-NHCUHLMSSA-N 2 0 357.542 3.442 20 0 FGADRP Cc1ccnc([C@H](C)[NH2+]CCCN2CC[N@H+](C)C[C@@H]2c2ccccc2)c1 ZINC000560514159 505110417 /nfs/dbraw/zinc/11/04/17/505110417.db2.gz SMTDRYINHVFMTB-SIKLNZKXSA-N 2 0 352.526 3.419 20 0 FGADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1ccc(Br)c(Br)c1 ZINC000566230191 505119149 /nfs/dbraw/zinc/11/91/49/505119149.db2.gz PSETYADXVLSGDC-RKDXNWHRSA-N 2 0 350.098 3.427 20 0 FGADRP CC[NH+]1CCN(Cc2ccc(C[NH2+][C@@H](C)c3ccnc(OC)c3)cc2)CC1 ZINC000550893220 505121465 /nfs/dbraw/zinc/12/14/65/505121465.db2.gz VNULXXBWXISLJK-SFHVURJKSA-N 2 0 368.525 3.079 20 0 FGADRP CC[C@H]([NH2+]C1CCN(C(=O)NC2CCCCC2)CC1)[C@@H]1CCCC[NH2+]1 ZINC000566407185 505166811 /nfs/dbraw/zinc/16/68/11/505166811.db2.gz NPOUBZKSDLTUAW-OALUTQOASA-N 2 0 350.551 3.003 20 0 FGADRP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000557563426 505168987 /nfs/dbraw/zinc/16/89/87/505168987.db2.gz MUCOCFCKHIZUKB-AZUAARDMSA-N 2 0 357.542 3.135 20 0 FGADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000560781596 505184895 /nfs/dbraw/zinc/18/48/95/505184895.db2.gz FLUZQBYCAOKYSA-HDICACEKSA-N 2 0 358.530 3.019 20 0 FGADRP CSc1cc(Br)ccc1CN(CC[NH+](C)C)CC[NH+](C)C ZINC000566529219 505195068 /nfs/dbraw/zinc/19/50/68/505195068.db2.gz LEZZJFXMGYWJCV-UHFFFAOYSA-N 2 0 374.392 3.096 20 0 FGADRP O=C(NCCC[NH+]1CCCCCC1)c1ccccc1CC1CC[NH2+]CC1 ZINC000566621126 505224149 /nfs/dbraw/zinc/22/41/49/505224149.db2.gz AXIUMAJEMGRPHS-UHFFFAOYSA-N 2 0 357.542 3.225 20 0 FGADRP C[C@H](C(=O)N(C)CCC[NH+](C)Cc1ccco1)[N@@H+]1CCc2ccccc2C1 ZINC000557770420 505226367 /nfs/dbraw/zinc/22/63/67/505226367.db2.gz LYCITLAYFXTAQO-GOSISDBHSA-N 2 0 369.509 3.007 20 0 FGADRP CC[NH+]1CCN(Cc2ccccc2C[NH2+]Cc2cc(C)c(O)c(C)c2)CC1 ZINC000554664512 505235653 /nfs/dbraw/zinc/23/56/53/505235653.db2.gz VUPQIQGVKYVPSP-UHFFFAOYSA-N 2 0 367.537 3.436 20 0 FGADRP C[C@H]1CN(C(=O)[C@@H]2CCCC[NH+]2Cc2ccccc2)CC[N@@H+](C2CCC2)C1 ZINC000557837732 505242607 /nfs/dbraw/zinc/24/26/07/505242607.db2.gz WPVIWTXDCUFJAH-KNQAVFIVSA-N 2 0 369.553 3.374 20 0 FGADRP C[C@H](NC(=O)NC[C@H](c1ccccc1)[NH+]1CCC(C)CC1)[C@H]1CCC[NH2+]C1 ZINC000563874864 505263937 /nfs/dbraw/zinc/26/39/37/505263937.db2.gz QFGWPPVFZDCDLV-SESVDKBCSA-N 2 0 372.557 3.147 20 0 FGADRP C[C@@H]([NH3+])C1CCN(C(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)CC1 ZINC000561151425 505264419 /nfs/dbraw/zinc/26/44/19/505264419.db2.gz NENZVWLWLOIZGE-GOSISDBHSA-N 2 0 372.557 3.331 20 0 FGADRP Cc1ccccc1[C@@H]([NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1)C(C)(C)C ZINC000561160471 505267832 /nfs/dbraw/zinc/26/78/32/505267832.db2.gz GOVLGEUGDKXNEE-OAQYLSRUSA-N 2 0 357.542 3.415 20 0 FGADRP CC(C)c1ccc([C@H]([NH3+])CNC(=O)N2CCC([C@H]3[NH2+]CC3(C)C)CC2)cc1 ZINC000561211556 505282897 /nfs/dbraw/zinc/28/28/97/505282897.db2.gz GLSQOBDDSGNDSF-WOJBJXKFSA-N 2 0 372.557 3.229 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1c(C)nn(C(C)(C)C)c1C ZINC000554882722 505289082 /nfs/dbraw/zinc/28/90/82/505289082.db2.gz NPUZIRLCERTMCI-LJQANCHMSA-N 2 0 363.594 3.103 20 0 FGADRP COCCOc1ccc([C@H](C)[NH2+]CC2(SC)CC[NH+](C)CC2)cc1 ZINC000564008638 505302212 /nfs/dbraw/zinc/30/22/12/505302212.db2.gz MQRCMFHHQNLLOE-INIZCTEOSA-N 2 0 352.544 3.190 20 0 FGADRP C[C@H]([NH2+]C[C@@H](O)Cc1cccc(Cl)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000558116804 505311379 /nfs/dbraw/zinc/31/13/79/505311379.db2.gz LFWAUPPLEWCTNK-KNBMTAEXSA-N 2 0 350.934 3.486 20 0 FGADRP COc1cccc([C@@H]2[C@@H](NCC[C@@H]3CCCC[NH+]3C)CC[N@@H+]2C2CC2)c1 ZINC000555125137 505356824 /nfs/dbraw/zinc/35/68/24/505356824.db2.gz DGLJJZVSWQNYSU-YUXAGFNASA-N 2 0 357.542 3.437 20 0 FGADRP C[C@H](C[NH+]1CCCCC1)NC(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000555133779 505359081 /nfs/dbraw/zinc/35/90/81/505359081.db2.gz WRJBKCHFCCTJRF-QAPCUYQASA-N 2 0 366.937 3.116 20 0 FGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCc1ccccc1C[NH+]1CCC(C)CC1 ZINC000558326574 505360855 /nfs/dbraw/zinc/36/08/55/505360855.db2.gz RQUTYDUBUGMRNW-NRFANRHFSA-N 2 0 357.542 3.409 20 0 FGADRP CC[NH+](CC)Cc1ccccc1CNC(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000567144741 505376552 /nfs/dbraw/zinc/37/65/52/505376552.db2.gz CIGKHKASQMRXNQ-UHFFFAOYSA-N 2 0 366.509 3.496 20 0 FGADRP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](Cc2ccc3occc3c2)CC1 ZINC000567311615 505424068 /nfs/dbraw/zinc/42/40/68/505424068.db2.gz LNUZKWDVKYBZIB-UHFFFAOYSA-N 2 0 371.525 3.349 20 0 FGADRP [NH3+]CC[C@H]1CCCN(C(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)C1 ZINC000564548646 505449750 /nfs/dbraw/zinc/44/97/50/505449750.db2.gz JVDHNQYTOPMPAU-HXUWFJFHSA-N 2 0 372.557 3.333 20 0 FGADRP Cc1cc(Cl)cc(C[NH2+]CCCC[NH+]2CCN(c3ncccn3)CC2)c1 ZINC000555537649 505450307 /nfs/dbraw/zinc/45/03/07/505450307.db2.gz INHGLNFJIBXLCH-UHFFFAOYSA-N 2 0 373.932 3.130 20 0 FGADRP C[C@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000564827482 505531187 /nfs/dbraw/zinc/53/11/87/505531187.db2.gz JACQYBDCEZPOJT-VWPFQQQWSA-N 2 0 369.431 3.400 20 0 FGADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+]C[C@H](O)COc2cccc3ccccc32)C1 ZINC000567680717 505534306 /nfs/dbraw/zinc/53/43/06/505534306.db2.gz CXQJUDOQZIUBOW-QUCCMNQESA-N 2 0 356.510 3.290 20 0 FGADRP CC(C)CC[NH+]1CCC(C[NH2+]C[C@@H](O)COc2cccc3[nH]ccc32)CC1 ZINC000567683668 505535256 /nfs/dbraw/zinc/53/52/56/505535256.db2.gz UREOQDXFEXHWDX-LJQANCHMSA-N 2 0 373.541 3.255 20 0 FGADRP Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)C[C@@H]1CCCC[C@H]1[NH3+] ZINC000567784134 505562681 /nfs/dbraw/zinc/56/26/81/505562681.db2.gz LRYPMIFQMVQJLR-ZWKOTPCHSA-N 2 0 361.555 3.390 20 0 FGADRP CC(C)[NH+]1CCN(c2cccc(NC(=O)[C@@H]3C[C@@H]4CCCC[C@H]4[NH2+]3)c2)CC1 ZINC000564992845 505566109 /nfs/dbraw/zinc/56/61/09/505566109.db2.gz KQIOTCSNCCDKCB-WMQCIHAUSA-N 2 0 370.541 3.076 20 0 FGADRP C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000567889414 505570138 /nfs/dbraw/zinc/57/01/38/505570138.db2.gz WLOBVYCVQCIWLW-AVRDEDQJSA-N 2 0 369.553 3.135 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)c1ccccc1Cl ZINC000599291601 506398122 /nfs/dbraw/zinc/39/81/22/506398122.db2.gz GDFPURZFGDEOPI-ZWKOTPCHSA-N 2 0 351.922 3.323 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)c1ccccc1Cl ZINC000599291600 506398808 /nfs/dbraw/zinc/39/88/08/506398808.db2.gz GDFPURZFGDEOPI-ROUUACIJSA-N 2 0 351.922 3.323 20 0 FGADRP C[N@H+](Cc1ccco1)Cc1ccccc1C[NH2+]Cc1ccc(C(N)=O)cc1 ZINC000608058646 506401233 /nfs/dbraw/zinc/40/12/33/506401233.db2.gz VOYFRHNXLAEDSV-UHFFFAOYSA-N 2 0 363.461 3.300 20 0 FGADRP C[C@H](NC(=O)C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1)c1cccc2ccccc21 ZINC000582905856 506482694 /nfs/dbraw/zinc/48/26/94/506482694.db2.gz UKSIZDPLBXGLNA-WLKXKRCBSA-N 2 0 351.494 3.076 20 0 FGADRP CC[NH+](CC)Cc1ccc(CNC(=O)N2CCC[C@H]([NH+]3CCCC3)C2)cc1 ZINC000612207630 506483315 /nfs/dbraw/zinc/48/33/15/506483315.db2.gz MBAPCMFOFJRNPL-NRFANRHFSA-N 2 0 372.557 3.298 20 0 FGADRP C[C@H](CC(=O)N1CCCN(Cc2ccc(Cl)cc2)CC1)n1ccnc1 ZINC000583028242 506548945 /nfs/dbraw/zinc/54/89/45/506548945.db2.gz IQDOYBSMYDKVLX-MRXNPFEDSA-N 2 0 360.889 3.222 20 0 FGADRP CC[NH+](CC)CCO[C@H]1CCN(Cc2[nH+]c(C(C)C)n3ccccc23)C1 ZINC000583029630 506550455 /nfs/dbraw/zinc/55/04/55/506550455.db2.gz XYTKSGPAVWXHNF-SFHVURJKSA-N 2 0 358.530 3.390 20 0 FGADRP COc1ccc(Br)c(C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)c1 ZINC000583143681 506614622 /nfs/dbraw/zinc/61/46/22/506614622.db2.gz SZKCSTLCURGMDQ-AWEZNQCLSA-N 2 0 353.304 3.279 20 0 FGADRP C[C@H](Cc1c[nH]cn1)C(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000583152073 506618470 /nfs/dbraw/zinc/61/84/70/506618470.db2.gz NUGZMOXWMAMFLZ-QGZVFWFLSA-N 2 0 362.477 3.086 20 0 FGADRP C[NH+](C)Cc1c2ccccc2oc1C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000603831980 506626821 /nfs/dbraw/zinc/62/68/21/506626821.db2.gz GLYQMTQBGHEMRP-UHFFFAOYSA-N 2 0 361.405 3.327 20 0 FGADRP C[C@@H]1CC[N@H+](CCNC(=O)c2ccccc2OCC[NH+]2CCCC[C@@H]2C)C1 ZINC000608613735 506632855 /nfs/dbraw/zinc/63/28/55/506632855.db2.gz MHXUCFIMMORLQU-MOPGFXCFSA-N 2 0 373.541 3.011 20 0 FGADRP CCC[NH+]1CCC(NC(=O)N[C@H](C[NH+]2CCCCC2)c2ccccc2)CC1 ZINC000608685397 506665100 /nfs/dbraw/zinc/66/51/00/506665100.db2.gz QDMJKRSEWIFMEK-OAQYLSRUSA-N 2 0 372.557 3.387 20 0 FGADRP C[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCCCC[NH2+]2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000583264273 506684847 /nfs/dbraw/zinc/68/48/47/506684847.db2.gz HCXDXBZPMPSFPJ-OLMNPRSZSA-N 2 0 367.896 3.120 20 0 FGADRP CCN(CC(=O)Nc1cccc(OC)c1)Cc1ccc(C[NH+](C)C)cc1 ZINC000589999682 506702323 /nfs/dbraw/zinc/70/23/23/506702323.db2.gz SIMUDUXVDFFRHE-UHFFFAOYSA-N 2 0 355.482 3.217 20 0 FGADRP C[C@H]([NH2+]C1(CNC(=O)N[C@@H]2CC23CC[NH2+]CC3)CCCC1)c1ccccc1 ZINC000612970746 506844984 /nfs/dbraw/zinc/84/49/84/506844984.db2.gz KLHYJERVCBOTQF-PKOBYXMFSA-N 2 0 370.541 3.091 20 0 FGADRP Cc1cccn2cc(CNC(=O)[C@@H]3CCC[N@H+](Cc4ccccc4)C3)nc12 ZINC000600230146 506861879 /nfs/dbraw/zinc/86/18/79/506861879.db2.gz XQSIOQQKWYCMDA-LJQANCHMSA-N 2 0 362.477 3.171 20 0 FGADRP C[NH+](C)CC[C@@H](NC(=O)NC[C@H](c1ccsc1)[NH+](C)C)C(C)(C)C ZINC000604776305 506939296 /nfs/dbraw/zinc/93/92/96/506939296.db2.gz DAZBESNWFAYLOF-HZPDHXFCSA-N 2 0 354.564 3.016 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)NCC[NH+]2[C@H](C)CCC[C@H]2C)C1 ZINC000594103883 506940982 /nfs/dbraw/zinc/94/09/82/506940982.db2.gz QHEHDHLGNCTNHF-IYWMVGAKSA-N 2 0 366.594 3.307 20 0 FGADRP C[NH+](C)CC[C@@H](NC(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C)C(C)(C)C ZINC000604807366 506950935 /nfs/dbraw/zinc/95/09/35/506950935.db2.gz FGYPXQMVUVZKOF-ZWKOTPCHSA-N 2 0 366.525 3.094 20 0 FGADRP C[NH+](C)Cc1ccc(C[NH2+]C[C@@H](O)COc2ccccc2Cl)cc1F ZINC000583747766 506952229 /nfs/dbraw/zinc/95/22/29/506952229.db2.gz CVXKSNJBACRWMI-MRXNPFEDSA-N 2 0 366.864 3.070 20 0 FGADRP Cc1cccn2cc(COc3ccc(C[NH2+][C@H](C)C[C@H](C)[NH3+])cc3)nc12 ZINC000583752952 506953718 /nfs/dbraw/zinc/95/37/18/506953718.db2.gz IWIGCGFGOVPCCV-DLBZAZTESA-N 2 0 352.482 3.437 20 0 FGADRP CC(C)[N@H+](C)CC1CC[NH+](CC(=O)N(Cc2ccccc2)C2CC2)CC1 ZINC000590786264 506955104 /nfs/dbraw/zinc/95/51/04/506955104.db2.gz LNRIMZZBQNCMLX-UHFFFAOYSA-N 2 0 357.542 3.230 20 0 FGADRP C[NH+](C)CC[C@H](NC(=O)N1CCC([NH+]2CCCCC2)CC1)C(C)(C)C ZINC000604827563 506959034 /nfs/dbraw/zinc/95/90/34/506959034.db2.gz VDAJVDHSHBEFHR-SFHVURJKSA-N 2 0 352.567 3.013 20 0 FGADRP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000594133709 506965494 /nfs/dbraw/zinc/96/54/94/506965494.db2.gz TXMMZFCVPKFORZ-SVFBPWRDSA-N 2 0 372.557 3.386 20 0 FGADRP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC(=O)c1cccc(C[N@H+](C)Cc2ccccc2)c1 ZINC000583929223 507053502 /nfs/dbraw/zinc/05/35/02/507053502.db2.gz SUTFYGHJONQQOP-JBYIUTFZSA-N 2 0 365.521 3.435 20 0 FGADRP O[C@@H](C[NH2+]C1CC[NH+](C2CCC2)CC1)CO[C@H]1CCCc2ccccc21 ZINC000583930225 507054890 /nfs/dbraw/zinc/05/48/90/507054890.db2.gz UUNHLPCPUFYYFB-UNMCSNQZSA-N 2 0 358.526 3.048 20 0 FGADRP CCCC[N@H+](C)CC1CC[NH+](CC(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)CC1 ZINC000613493172 507117703 /nfs/dbraw/zinc/11/77/03/507117703.db2.gz YGJAFGUAAGSOPF-NLWGTHIKSA-N 2 0 351.579 3.371 20 0 FGADRP CC(C)[C@H](C(=O)N[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1)[NH+]1CCCCC1 ZINC000591154642 507135412 /nfs/dbraw/zinc/13/54/12/507135412.db2.gz QPWIYKBCSWMTGB-CEWLAPEOSA-N 2 0 357.542 3.449 20 0 FGADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000600861707 507149694 /nfs/dbraw/zinc/14/96/94/507149694.db2.gz OIJXJNNXFNPMRE-OAQYLSRUSA-N 2 0 372.557 3.072 20 0 FGADRP CC(C)[NH+]1CCN([C@H]2CC[N@@H+]([C@H](C)c3ccc(OC(F)F)cc3)C2)CC1 ZINC000610250521 507161613 /nfs/dbraw/zinc/16/16/13/507161613.db2.gz ZDCIBPHLPZKNKN-AEFFLSMTSA-N 2 0 367.484 3.449 20 0 FGADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)C1 ZINC000600888458 507162959 /nfs/dbraw/zinc/16/29/59/507162959.db2.gz WNXZDNKWPYYPHI-RTBURBONSA-N 2 0 364.578 3.157 20 0 FGADRP CC1CC[NH+](CCCNC(=O)c2ccc(Nc3cc[nH+]cc3)cc2)CC1 ZINC000605399196 507175567 /nfs/dbraw/zinc/17/55/67/507175567.db2.gz LWNWHJIKAJWGME-UHFFFAOYSA-N 2 0 352.482 3.099 20 0 FGADRP O=C(NCCC[NH+]1CCCCCC1)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000605423647 507187391 /nfs/dbraw/zinc/18/73/91/507187391.db2.gz UZRKIKKTJSXRIM-UHFFFAOYSA-N 2 0 352.482 3.243 20 0 FGADRP CC(C)[NH2+][C@H]1CCCN(C(=O)[C@@H](C)[NH+]2CCC(Cc3ccccc3)CC2)C1 ZINC000600980881 507214124 /nfs/dbraw/zinc/21/41/24/507214124.db2.gz MPDDPVWBAZHXJP-KNQAVFIVSA-N 2 0 371.569 3.319 20 0 FGADRP CC[NH+](CC)Cc1cccc(CNC(=O)NC[C@@H](C(C)C)[NH+]2CCCC2)c1 ZINC000591556768 507289201 /nfs/dbraw/zinc/28/92/01/507289201.db2.gz PRSBUSKGMYMOEZ-NRFANRHFSA-N 2 0 374.573 3.448 20 0 FGADRP C[C@@H](CNC(=O)NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1)[NH+](C)C1CC1 ZINC000591554641 507289825 /nfs/dbraw/zinc/28/98/25/507289825.db2.gz CEWHMVDOZJBDNI-ROUUACIJSA-N 2 0 372.557 3.200 20 0 FGADRP CC(C)[C@H](CNC(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1)[NH+]1CCCC1 ZINC000591558649 507292610 /nfs/dbraw/zinc/29/26/10/507292610.db2.gz XVPFFNSZPMWCRP-RTWAWAEBSA-N 2 0 372.557 3.243 20 0 FGADRP C[C@H]([NH2+][C@@H]1CC12CC[NH2+]CC2)c1ccc(I)cc1 ZINC000591579240 507301178 /nfs/dbraw/zinc/30/11/78/507301178.db2.gz CJWZZABILFDRGL-SMDDNHRTSA-N 2 0 356.251 3.084 20 0 FGADRP CC[NH+](CC)Cc1ccc(CNC(=O)N2CCC[C@@H]([NH2+]C(C)C)C2)cc1 ZINC000601222619 507301252 /nfs/dbraw/zinc/30/12/52/507301252.db2.gz AJVPRKSWKXSLIV-HXUWFJFHSA-N 2 0 360.546 3.200 20 0 FGADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N[C@@H](C)C[NH+]2CCCCC2)C1 ZINC000601243440 507308250 /nfs/dbraw/zinc/30/82/50/507308250.db2.gz MCKCQQMBSZEVLV-ZWKOTPCHSA-N 2 0 352.567 3.061 20 0 FGADRP COC(=O)[C@@H]1C[C@H]1[C@H](C)[NH2+]CC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000594925355 507318242 /nfs/dbraw/zinc/31/82/42/507318242.db2.gz RXVJUXYRJIKBPX-JCGIZDLHSA-N 2 0 364.917 3.339 20 0 FGADRP [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000584519578 507391509 /nfs/dbraw/zinc/39/15/09/507391509.db2.gz FPLDCFGTPJYQHM-ACRUOGEOSA-N 2 0 372.557 3.105 20 0 FGADRP C[C@@H](C(=O)Nc1cccc(CN2C[C@@H](C)O[C@H](C)C2)c1)[NH+]1[C@H](C)CC[C@H]1C ZINC000606534261 507437109 /nfs/dbraw/zinc/43/71/09/507437109.db2.gz DHBAMBPKGHRPDJ-NNIGNNQHSA-N 2 0 373.541 3.496 20 0 FGADRP CC[C@H](C(=O)N[C@@H]1CC[NH+](C)[C@H]1c1ccccc1)[N@H+](C)Cc1ccccc1 ZINC000584691741 507453307 /nfs/dbraw/zinc/45/33/07/507453307.db2.gz WDOLLBPXSBMECH-VSKRKVRLSA-N 2 0 365.521 3.459 20 0 FGADRP Cc1ccc([C@H](CNC(=O)N[C@@H](C)C2CC[NH+](C)CC2)[NH+]2CCCC2)cc1 ZINC000606662119 507473462 /nfs/dbraw/zinc/47/34/62/507473462.db2.gz NRENYMFZUIIMRA-RXVVDRJESA-N 2 0 372.557 3.161 20 0 FGADRP CC[N@@H+]1CC[C@@H](CNC(=O)c2ccccc2OCC[NH+]2CCCC[C@@H]2C)C1 ZINC000595407434 507482232 /nfs/dbraw/zinc/48/22/32/507482232.db2.gz RUAAOFUDKBCUSZ-OALUTQOASA-N 2 0 373.541 3.011 20 0 FGADRP C[C@H](NC(=O)N1CC[N@H+](Cc2ccccc2)C(C)(C)C1)C1CC[NH+](C)CC1 ZINC000606701666 507488427 /nfs/dbraw/zinc/48/84/27/507488427.db2.gz HRUPDTWROGBTFU-SFHVURJKSA-N 2 0 372.557 3.023 20 0 FGADRP CC[NH+]1CCC(CNC(=O)NCC2([NH+]3CCCCC3)CCCCC2)CC1 ZINC000586785640 507671299 /nfs/dbraw/zinc/67/12/99/507671299.db2.gz KOXMWPJOFGIRPW-UHFFFAOYSA-N 2 0 364.578 3.206 20 0 FGADRP CC[C@H](CNC(=O)c1cccc(C[NH+](C)C)c1)[N@@H+]1CCc2ccccc2C1 ZINC000607383912 507715905 /nfs/dbraw/zinc/71/59/05/507715905.db2.gz GSTXIBGOOTWKLY-JOCHJYFZSA-N 2 0 365.521 3.315 20 0 FGADRP Cc1cc(NC(=O)CC[NH2+]Cc2ccccc2C[N@H+]2CCCC[C@H]2C)no1 ZINC000515346981 517311428 /nfs/dbraw/zinc/31/14/28/517311428.db2.gz KHJVDPOBUPSKPZ-MRXNPFEDSA-N 2 0 370.497 3.476 20 0 FGADRP Cc1cc(NCc2ccc(CN3CC[NH+](C)CC3)cc2)nc(C2CC2)n1 ZINC000523874832 562221167 /nfs/dbraw/zinc/22/11/67/562221167.db2.gz XCJPWKFHQGWWQS-UHFFFAOYSA-N 2 0 351.498 3.022 20 0 FGADRP CO[C@@]1(C(F)(F)F)CCC[N@H+](Cc2ccc(CN3CCOCC3)cc2)C1 ZINC000643252202 568377901 /nfs/dbraw/zinc/37/79/01/568377901.db2.gz OTKCHKWTXJYTED-SFHVURJKSA-N 2 0 372.431 3.062 20 0 FGADRP Fc1ccc(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)c(-c2nn[nH]n2)c1 ZINC000826374775 607750774 /nfs/dbraw/zinc/75/07/74/607750774.db2.gz MBMVTUGZYXECAH-UHFFFAOYSA-N 2 0 372.492 3.094 20 0 FGADRP C[C@@H]([NH2+]CCCC[N@@H+]1CCCC[C@@H]1C)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824585491 609133057 /nfs/dbraw/zinc/13/30/57/609133057.db2.gz RIIUIGFJUBIGKQ-LSDHHAIUSA-N 2 0 360.481 3.311 20 0 FGADRP O=C(NCCC[NH+]1CCCCC1)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000078559804 700282102 /nfs/dbraw/zinc/28/21/02/700282102.db2.gz SZCQJORQYHKHPC-KRWDZBQOSA-N 2 0 364.559 3.060 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)[C@H](C)[NH+](C)C)c1ccc(C(F)(F)F)cc1 ZINC000078696029 700285317 /nfs/dbraw/zinc/28/53/17/700285317.db2.gz WGQXETGRMOWBGQ-XJKSGUPXSA-N 2 0 359.436 3.155 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)[C@H](C)[NH+](C)C)c1ccc(C(F)(F)F)cc1 ZINC000078696018 700285404 /nfs/dbraw/zinc/28/54/04/700285404.db2.gz WGQXETGRMOWBGQ-BBRMVZONSA-N 2 0 359.436 3.155 20 0 FGADRP CC(C)COC(=O)N1CCC([NH2+]CCCC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000089139049 700382602 /nfs/dbraw/zinc/38/26/02/700382602.db2.gz AHROSKYZCPUOLX-GOSISDBHSA-N 2 0 353.551 3.488 20 0 FGADRP C[C@H]([NH2+][C@@H](c1ccc(Cl)cc1)[C@@H]1CN(C)CCO1)C1CC[NH+](C)CC1 ZINC000090956732 700408700 /nfs/dbraw/zinc/40/87/00/700408700.db2.gz NZJXARYUTQEVRJ-YSSFQJQWSA-N 2 0 365.949 3.032 20 0 FGADRP C[C@@H]([NH2+]C[C@@H](c1ccc(Cl)cc1)N1CCOCC1)C1CC[NH+](C)CC1 ZINC000119819955 700639526 /nfs/dbraw/zinc/63/95/26/700639526.db2.gz ZRVPKUTZURVVNR-UZLBHIALSA-N 2 0 365.949 3.033 20 0 FGADRP C[C@H](C[NH2+][C@H]1CCSc2c(Cl)cccc21)CN1CC[NH+](C)CC1 ZINC000121049599 700664722 /nfs/dbraw/zinc/66/47/22/700664722.db2.gz BTYBNNGMRQDEII-PBHICJAKSA-N 2 0 353.963 3.350 20 0 FGADRP CC(C)(C)OC(=O)NC[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)C1CCCC1 ZINC000193390891 712889372 /nfs/dbraw/zinc/88/93/72/712889372.db2.gz VGLOXKFBUGXBMZ-KSZLIROESA-N 2 0 351.535 3.286 20 0 FGADRP C[C@H](C[NH2+][C@@H](C)C[C@@H]1CCCN1C(=O)OC(C)(C)C)C[NH+]1CCCC1 ZINC000237604990 713594343 /nfs/dbraw/zinc/59/43/43/713594343.db2.gz XCSBSNKOSFVVDX-SQNIBIBYSA-N 2 0 353.551 3.486 20 0 FGADRP CC[NH+](CC)C[C@H]1CC[N@H+](C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000247578201 713642289 /nfs/dbraw/zinc/64/22/89/713642289.db2.gz SLMIPTIGXPZYNJ-QZTJIDSGSA-N 2 0 353.551 3.297 20 0 FGADRP CC(C)C[NH+]1CCC([NH2+][C@H]2CCCN(C(=O)OC(C)(C)C)[C@H]2C)CC1 ZINC000310599809 713799658 /nfs/dbraw/zinc/79/96/58/713799658.db2.gz HXEXCUBFLOAASR-WMZOPIPTSA-N 2 0 353.551 3.484 20 0 FGADRP C[NH+](C)Cc1ccccc1C(=O)NC1CC[NH+](Cc2ccsc2)CC1 ZINC000365892601 713859132 /nfs/dbraw/zinc/85/91/32/713859132.db2.gz VHDKCWCKYPRWJW-UHFFFAOYSA-N 2 0 357.523 3.204 20 0 FGADRP COc1cc(F)cc(C[NH+]2CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)c1 ZINC000449019548 714039834 /nfs/dbraw/zinc/03/98/34/714039834.db2.gz NPBFOGWFTOKJHV-HZPDHXFCSA-N 2 0 350.478 3.156 20 0 FGADRP OC[C@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+]Cc1scnc1C1CC1 ZINC000487568602 714099154 /nfs/dbraw/zinc/09/91/54/714099154.db2.gz ZGXQSUBMQDGCPH-GOSISDBHSA-N 2 0 357.523 3.267 20 0 FGADRP CCCC[NH+]1CCC(NC(=O)NCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000523202792 714222624 /nfs/dbraw/zinc/22/26/24/714222624.db2.gz ASNQXMWPOOYVRS-QGZVFWFLSA-N 2 0 352.567 3.061 20 0 FGADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)N(CC[NH+](C)C)CC1CCCCC1 ZINC000523433273 714234510 /nfs/dbraw/zinc/23/45/10/714234510.db2.gz KZMPEJYUFBLUFZ-IBGZPJMESA-N 2 0 352.567 3.014 20 0 FGADRP CC(C)[N@H+](C)CC1CCN(C(=O)NC[C@@H](C)[NH+]2CCCC[C@@H]2C)CC1 ZINC000615672207 714543776 /nfs/dbraw/zinc/54/37/76/714543776.db2.gz NRNYLOACELFCIL-ZWKOTPCHSA-N 2 0 352.567 3.011 20 0 FGADRP CC[NH+](CC)CC1CC[NH+](C[C@H](O)COCc2ccccc2Cl)CC1 ZINC000642643440 717986493 /nfs/dbraw/zinc/98/64/93/717986493.db2.gz LGEMOYAMEHDWDA-IBGZPJMESA-N 2 0 368.949 3.271 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N[C@@H]1CCC[N@H+](C)C1)c1ccccc1Cl ZINC000618547097 714756227 /nfs/dbraw/zinc/75/62/27/714756227.db2.gz BNYFWZLJYLZQAA-CRAIPNDOSA-N 2 0 366.937 3.116 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)CC(C)C ZINC000643216187 718019779 /nfs/dbraw/zinc/01/97/79/718019779.db2.gz WIOFTHGCYIYIQM-QGZVFWFLSA-N 2 0 354.583 3.351 20 0 FGADRP Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)CC[C@H]1CCC[NH2+]C1 ZINC000621644759 715013900 /nfs/dbraw/zinc/01/39/00/715013900.db2.gz ZRXWLZJEWGNLCF-QGZVFWFLSA-N 2 0 361.555 3.262 20 0 FGADRP C[C@@H]([NH2+]CCc1c[nH]c2ccc(Br)cc12)[C@H]1CCC[NH2+]C1 ZINC000643480332 718036464 /nfs/dbraw/zinc/03/64/64/718036464.db2.gz WQONVMXBNUMGED-OLZOCXBDSA-N 2 0 350.304 3.451 20 0 FGADRP C[N@@H+]1CC[C@@H]([NH2+]C[C@@H](c2ccc(Cl)cc2)N2CCOCC2)CC1(C)C ZINC000623384102 715323116 /nfs/dbraw/zinc/32/31/16/715323116.db2.gz OUWHEOIWXURNBC-MOPGFXCFSA-N 2 0 365.949 3.176 20 0 FGADRP COc1cc(Cl)c(C)cc1NC(=O)CC[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623438997 715336113 /nfs/dbraw/zinc/33/61/13/715336113.db2.gz RUMXXHRNLOHCLO-AWEZNQCLSA-N 2 0 367.921 3.448 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H]1CCCN1CC(F)F ZINC000624094959 715470674 /nfs/dbraw/zinc/47/06/74/715470674.db2.gz RCCCVOVXKAWMHT-QRQLOZEOSA-N 2 0 351.485 3.216 20 0 FGADRP C[NH+](C)C[C@@H](NC(=O)CC1CC[NH+](C)CC1)c1ccc(Cl)c(Cl)c1 ZINC000628969177 716193590 /nfs/dbraw/zinc/19/35/90/716193590.db2.gz OZGXNPCXUARHEB-QGZVFWFLSA-N 2 0 372.340 3.444 20 0 FGADRP O[C@@H](C[NH2+]C[C@H]1CCN1C1CCCCC1)COc1ccc(Cl)cc1 ZINC000629602394 716318067 /nfs/dbraw/zinc/31/80/67/716318067.db2.gz DXLZCONGBILOBH-MSOLQXFVSA-N 2 0 352.906 3.076 20 0 FGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]Cc2ccc(CC(F)(F)F)cc2)CC1 ZINC000631063251 716558094 /nfs/dbraw/zinc/55/80/94/716558094.db2.gz JGIGAWDGKUBPBR-INIZCTEOSA-N 2 0 357.464 3.155 20 0 FGADRP COCCOc1ccc([C@H](C)[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)cc1OC ZINC000635007273 717139510 /nfs/dbraw/zinc/13/95/10/717139510.db2.gz APGLYGXMKJQFBV-RDJZCZTQSA-N 2 0 350.503 3.149 20 0 FGADRP O=c1c(C[NH2+]CC2CC[NH+](Cc3cccs3)CC2)cccn1C(F)F ZINC000638457870 717449053 /nfs/dbraw/zinc/44/90/53/717449053.db2.gz ZTHXXVPLQRCCFZ-UHFFFAOYSA-N 2 0 367.465 3.307 20 0 FGADRP FC(F)(F)c1nc2n(c1C[NH2+]CC1CC[NH+](C3CC3)CC1)CCCC2 ZINC000639109395 717516732 /nfs/dbraw/zinc/51/67/32/717516732.db2.gz YWWVPOCCQVIHDR-UHFFFAOYSA-N 2 0 356.436 3.202 20 0 FGADRP C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000647553154 718367487 /nfs/dbraw/zinc/36/74/87/718367487.db2.gz CXQKYOXNBXNXIH-OAHLLOKOSA-N 2 0 359.901 3.326 20 0 FGADRP C[C@H](C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)Oc1ccc(Br)cc1 ZINC000647788743 718377710 /nfs/dbraw/zinc/37/77/10/718377710.db2.gz PPQIWCXJEJAVKE-HLPPOEQASA-N 2 0 353.304 3.194 20 0 FGADRP C[C@H](NC(=O)C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1)c1ccc(Cl)cc1 ZINC000647976828 718391284 /nfs/dbraw/zinc/39/12/84/718391284.db2.gz URYGHSUBBTVDCM-JQHSSLGASA-N 2 0 363.933 3.229 20 0 FGADRP C[C@H](NC(=O)C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)c1ccc(Cl)cc1Cl ZINC000647980514 718391958 /nfs/dbraw/zinc/39/19/58/718391958.db2.gz QZNVLVSVNACZHJ-MELADBBJSA-N 2 0 370.324 3.102 20 0 FGADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@H+](Cc3ccc(OC(F)(F)F)cc3)C2)C1 ZINC000650706545 718716736 /nfs/dbraw/zinc/71/67/36/718716736.db2.gz NGIWJTARYGSDOU-BFYDXBDKSA-N 2 0 358.404 3.304 20 0 FGADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@H+](Cc3ccccc3Br)C2)C1 ZINC000650705719 718716922 /nfs/dbraw/zinc/71/69/22/718716922.db2.gz STXRKIDVAWZLNX-ZMSDIMECSA-N 2 0 353.304 3.167 20 0 FGADRP Cc1cc(C[N@@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)ccc1Br ZINC000650708145 718717477 /nfs/dbraw/zinc/71/74/77/718717477.db2.gz UIKRAZRBOYEEEF-LZLYRXPVSA-N 2 0 367.331 3.476 20 0 FGADRP Cc1ccc(C[N@@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)c(Br)c1 ZINC000650708121 718717541 /nfs/dbraw/zinc/71/75/41/718717541.db2.gz TYGVBLVOWZSIQB-XYJFISCASA-N 2 0 367.331 3.476 20 0 FGADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@H+](Cc3ccccc3OC(F)(F)F)C2)C1 ZINC000650707132 718717788 /nfs/dbraw/zinc/71/77/88/718717788.db2.gz YVCYYNYUYYRMHR-ZMSDIMECSA-N 2 0 358.404 3.304 20 0 FGADRP COc1ccc(C[N@@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)c(Cl)c1OC ZINC000650724081 718721190 /nfs/dbraw/zinc/72/11/90/718721190.db2.gz YCLNYJRCTANMCT-BFYDXBDKSA-N 2 0 368.905 3.218 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)NCCC1(C[NH3+])CC1)c1ccccc1Cl ZINC000652119693 718913543 /nfs/dbraw/zinc/91/35/43/718913543.db2.gz UJGQZIDRMLMJHR-KRWDZBQOSA-N 2 0 366.937 3.151 20 0 FGADRP Cc1oc(-c2ccsc2)nc1C[N@@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652349262 718935265 /nfs/dbraw/zinc/93/52/65/718935265.db2.gz IHUFIZDGMMDCRB-ZVZYQTTQSA-N 2 0 361.511 3.430 20 0 FGADRP COc1ccc(Cl)cc1NC(=O)CC[N@@H+]1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000652354086 718935885 /nfs/dbraw/zinc/93/58/85/718935885.db2.gz MRMVGRPDYNGEBF-XJKSGUPXSA-N 2 0 353.894 3.127 20 0 FGADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@@H+]2CCOc2ccc(Cl)c(F)c2)C1 ZINC000652363927 718937285 /nfs/dbraw/zinc/93/72/85/718937285.db2.gz SISDMMOWIGOMPT-JEBQAFNWSA-N 2 0 356.869 3.219 20 0 FGADRP CN(C(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1)[C@H](C[NH3+])C1CC1 ZINC000652614381 718966901 /nfs/dbraw/zinc/96/69/01/718966901.db2.gz ZGCDTUTWUQJUPT-GOSISDBHSA-N 2 0 362.543 3.076 20 0 FGADRP c1cn(-c2cc[nH+]c(N3CCC[C@H]4C[N@@H+](Cc5ccccc5)C[C@@H]43)c2)cn1 ZINC001164629614 719105969 /nfs/dbraw/zinc/10/59/69/719105969.db2.gz SWAPGAQODLAZLK-FPOVZHCZSA-N 2 0 359.477 3.368 20 0 FGADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1ccc(C(F)F)cc1F ZINC000654778558 719230986 /nfs/dbraw/zinc/23/09/86/719230986.db2.gz BCEJYJDKLCGBRH-UHFFFAOYSA-N 2 0 359.436 3.109 20 0 FGADRP CC(C)C[NH+]1CCN(c2ccc3c(n2)CC[N@@H+](Cc2ccccc2)C3)CC1 ZINC001164651878 719332000 /nfs/dbraw/zinc/33/20/00/719332000.db2.gz JWWMGAPEFSFTHL-UHFFFAOYSA-N 2 0 364.537 3.418 20 0 FGADRP C[NH+](C)C[C@@H](NC1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccc(Cl)cc1 ZINC000655765634 719336771 /nfs/dbraw/zinc/33/67/71/719336771.db2.gz IDSBPNHLNAVHEB-VQTJNVASSA-N 2 0 365.949 3.176 20 0 FGADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2cc(Br)c3c(c2)OCCCO3)C1 ZINC000655827331 719345094 /nfs/dbraw/zinc/34/50/94/719345094.db2.gz SHWZTVRKWBHMTG-XBXGTLAGSA-N 2 0 369.303 3.040 20 0 FGADRP COc1cc2[nH+]ccc(NC[C@H]3C[C@@H]([NH+](C)C)C3)c2cc1Br ZINC000656211865 719373810 /nfs/dbraw/zinc/37/38/10/719373810.db2.gz OOYAMEYTBKOLMM-TXEJJXNPSA-N 2 0 364.287 3.180 20 0 FGADRP Cc1ncsc1-c1ccc(C[NH2+]C[C@H](C)CN2CC[NH+](C)CC2)cc1 ZINC000657346005 719630661 /nfs/dbraw/zinc/63/06/61/719630661.db2.gz CPKCFWCOSHHFFY-INIZCTEOSA-N 2 0 358.555 3.092 20 0 FGADRP C([NH2+][C@H]1CCC[C@H]([C@H]2CCOC2)C1)C1CC[NH+](C2CCOCC2)CC1 ZINC000657537402 719667972 /nfs/dbraw/zinc/66/79/72/719667972.db2.gz JTVGIFUNFKEMDM-UFYCRDLUSA-N 2 0 350.547 3.062 20 0 FGADRP Clc1cc2c(c(C[NH2+]CC3CC[NH+](C4CCOCC4)CC3)c1)OCC2 ZINC000657537471 719667992 /nfs/dbraw/zinc/66/79/92/719667992.db2.gz MDUSPCKHFDAAPZ-UHFFFAOYSA-N 2 0 364.917 3.256 20 0 FGADRP CCOc1ccc(C[NH2+]CC2CC[NH+](C3CCOCC3)CC2)cc1F ZINC000657537777 719668124 /nfs/dbraw/zinc/66/81/24/719668124.db2.gz SKLGWPXHXNEWRP-UHFFFAOYSA-N 2 0 350.478 3.205 20 0 FGADRP CC(C)Cc1ncc(C[NH2+]Cc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)s1 ZINC000657597602 719681460 /nfs/dbraw/zinc/68/14/60/719681460.db2.gz VLBQHJBCSOOLNW-GOSISDBHSA-N 2 0 359.539 3.198 20 0 FGADRP C[C@@H]1C[NH+](CCCCCCCCC[N@@H+]2CC[C@H](O)[C@H](C)C2)CC[C@H]1O ZINC000781919976 724612699 /nfs/dbraw/zinc/61/26/99/724612699.db2.gz UDELBJLKNJMSQB-NCYKPQTJSA-N 2 0 354.579 3.123 20 0 FGADRP C[N@@H+]1CCN(CCC[NH2+]C2CC(CF)(CF)C2)[C@H](c2ccccc2)C1 ZINC000657833508 719718916 /nfs/dbraw/zinc/71/89/16/719718916.db2.gz GHKGUOYCZQKMSM-IBGZPJMESA-N 2 0 351.485 3.043 20 0 FGADRP CC[NH+]1CCN(Cc2ccccc2C[NH2+]C2CC(CF)(CF)C2)CC1 ZINC000657839324 719719473 /nfs/dbraw/zinc/71/94/73/719719473.db2.gz RUEHYVXWECWYSN-UHFFFAOYSA-N 2 0 351.485 3.002 20 0 FGADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]CC(C)(C)[C@]2(O)CCCOC2)CC1 ZINC000658308242 719783687 /nfs/dbraw/zinc/78/36/87/719783687.db2.gz CVVXDHWYALHUAN-LMNJBCLMSA-N 2 0 352.563 3.187 20 0 FGADRP C[C@@H]([NH2+]CC1(O)CCC(F)(F)CC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000658323957 719785979 /nfs/dbraw/zinc/78/59/79/719785979.db2.gz XGCUXIIMISOLEC-OAHLLOKOSA-N 2 0 356.457 3.218 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC1(O)CCC(F)(F)CC1 ZINC000658322423 719786020 /nfs/dbraw/zinc/78/60/20/719786020.db2.gz GWUPQIRRKCEHTK-SJLPKXTDSA-N 2 0 352.469 3.427 20 0 FGADRP CC[NH+](CC)CCN(Cc1ccc(Cl)cc1)C(=O)N[C@@H](C)C[C@@H](C)[NH3+] ZINC000659555383 719925438 /nfs/dbraw/zinc/92/54/38/719925438.db2.gz KVDUYNZSINHZDS-CVEARBPZSA-N 2 0 368.953 3.319 20 0 FGADRP CC(C)[N@H+](C)CC1CC[NH+](C[C@H]2CCCN(C(=O)C(C)(C)C)C2)CC1 ZINC000659876353 719948949 /nfs/dbraw/zinc/94/89/49/719948949.db2.gz GPGPBKBEYKZDOX-LJQANCHMSA-N 2 0 351.579 3.323 20 0 FGADRP CC[NH+]1CCN(CC(C)(C)[NH2+]CCSc2ccc(F)cc2F)CC1 ZINC000660754639 720113697 /nfs/dbraw/zinc/11/36/97/720113697.db2.gz UKKKCVLDQUPCGC-UHFFFAOYSA-N 2 0 357.514 3.063 20 0 FGADRP C[C@H](O)[C@H]1CCC[NH+]1Cc1cc(Cl)cc(C[N@H+]2CCC[C@@H]2[C@H](C)O)c1 ZINC000661767958 720316203 /nfs/dbraw/zinc/31/62/03/720316203.db2.gz SFYKZHGWYVILDU-IQGAEYHTSA-N 2 0 366.933 3.030 20 0 FGADRP Brc1ccc([C@H]([NH2+]C[C@@H]2CCC3(C[NH2+]C3)O2)C2CCC2)cc1 ZINC000662280062 720409031 /nfs/dbraw/zinc/40/90/31/720409031.db2.gz CAMVVPALJBFGMZ-DLBZAZTESA-N 2 0 365.315 3.401 20 0 FGADRP O=C(CC[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1)Nc1cc(F)cc(F)c1 ZINC000662293489 720411002 /nfs/dbraw/zinc/41/10/02/720411002.db2.gz LQBPWHNURBUCBA-HNNXBMFYSA-N 2 0 351.441 3.005 20 0 FGADRP CSc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)cc1 ZINC000662294674 720411421 /nfs/dbraw/zinc/41/14/21/720411421.db2.gz DRPKMKUVKDMYJL-DOTOQJQBSA-N 2 0 361.555 3.447 20 0 FGADRP C[NH+](C)[C@@H](CNC(=O)c1ccc2c(c1)[C@@H](C[NH3+])CCC2)c1ccsc1 ZINC000662378638 720423173 /nfs/dbraw/zinc/42/31/73/720423173.db2.gz DJSOEKKFECAEAO-APWZRJJASA-N 2 0 357.523 3.159 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)c1cc2c(s1)CC[NH2+]C2)c1ccsc1 ZINC000662384482 720423914 /nfs/dbraw/zinc/42/39/14/720423914.db2.gz PBYZWMTUDKMGNT-OAHLLOKOSA-N 2 0 363.552 3.268 20 0 FGADRP CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)C1 ZINC000663450621 720515954 /nfs/dbraw/zinc/51/59/54/720515954.db2.gz KGEHIUPHVINNFJ-CVEARBPZSA-N 2 0 364.559 3.057 20 0 FGADRP C[NH2+]CCCC(=O)N1CCC([NH2+]Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000663503009 720520255 /nfs/dbraw/zinc/52/02/55/720520255.db2.gz LIWGBFDPKAYCMV-UHFFFAOYSA-N 2 0 358.313 3.074 20 0 FGADRP C[NH2+]CCCC(=O)N1CCC([NH2+]Cc2cc(Cl)ccc2Cl)CC1 ZINC000663504022 720520324 /nfs/dbraw/zinc/52/03/24/720520324.db2.gz QHAIJNOELQDGRP-UHFFFAOYSA-N 2 0 358.313 3.074 20 0 FGADRP COC[C@@H](CCC[NH3+])[NH2+]CC1(Cc2ccc(Br)cc2)CC1 ZINC000665265147 720748431 /nfs/dbraw/zinc/74/84/31/720748431.db2.gz QJTGXPKOWSFZOB-MRXNPFEDSA-N 2 0 355.320 3.115 20 0 FGADRP C[NH2+]CCCC(=O)N1CCC([NH2+][C@H](C)c2ccc(SC)c(F)c2)CC1 ZINC000665287655 720750716 /nfs/dbraw/zinc/75/07/16/720750716.db2.gz QUKNOQNSHOKSJJ-CQSZACIVSA-N 2 0 367.534 3.189 20 0 FGADRP C[C@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)c1csc(-c2ccccc2)n1 ZINC000666082206 720886687 /nfs/dbraw/zinc/88/66/87/720886687.db2.gz MTJFBUSNBRMQBS-INIZCTEOSA-N 2 0 358.555 3.487 20 0 FGADRP C[C@@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+][C@H]1CC[NH2+]C2(CCC2)C1 ZINC000666995502 721010959 /nfs/dbraw/zinc/01/09/59/721010959.db2.gz PIHRXCLRPWKALL-RDJZCZTQSA-N 2 0 363.933 3.341 20 0 FGADRP CC1CC[NH+]([C@@H](CNC(=O)NC2CCC([NH3+])CC2)c2cccs2)CC1 ZINC000668644697 721325406 /nfs/dbraw/zinc/32/54/06/721325406.db2.gz JACRFUPRWHTHDD-JCYILVPMSA-N 2 0 364.559 3.090 20 0 FGADRP CC1CC[NH+]([C@@H](CNC(=O)N2CCC(C)([NH3+])CC2)c2cccs2)CC1 ZINC000668644729 721325638 /nfs/dbraw/zinc/32/56/38/721325638.db2.gz POWSOVOPNBILIQ-INIZCTEOSA-N 2 0 364.559 3.044 20 0 FGADRP CC[NH+](CC)[C@@H](C(=O)NC[C@@H](C)[NH+](C)C)c1cccc(C(F)(F)F)c1 ZINC000673636965 721668716 /nfs/dbraw/zinc/66/87/16/721668716.db2.gz CKHNOKOJAOSXLN-CZUORRHYSA-N 2 0 359.436 3.155 20 0 FGADRP C[C@@H](C(=O)N(CCC[NH+](C)C)Cc1ccc(Cl)c(Cl)c1)[NH+](C)C ZINC000674245857 721685019 /nfs/dbraw/zinc/68/50/19/721685019.db2.gz UIYRELZVBMEAAS-ZDUSSCGKSA-N 2 0 360.329 3.224 20 0 FGADRP CCC[NH+]1CCC([NH2+][C@H]2CCN(c3ccccc3Br)C2)CC1 ZINC000675733730 721771243 /nfs/dbraw/zinc/77/12/43/721771243.db2.gz KQVJPSDPPNMXCF-INIZCTEOSA-N 2 0 366.347 3.492 20 0 FGADRP CN(C)c1cccc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)[nH+]1 ZINC001165022095 721802639 /nfs/dbraw/zinc/80/26/39/721802639.db2.gz HVJMVHOHKZHALM-DFQSSKMNSA-N 2 0 365.525 3.280 20 0 FGADRP C[C@H](C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)Oc1ccccc1Br ZINC000677241516 721875741 /nfs/dbraw/zinc/87/57/41/721875741.db2.gz QBVWMGJPTLMJCL-ILXRZTDVSA-N 2 0 353.304 3.433 20 0 FGADRP C[C@H](C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)Oc1ccc(Br)cc1 ZINC000677241522 721875942 /nfs/dbraw/zinc/87/59/42/721875942.db2.gz QCFPEJOLZDZMCP-VNQPRFMTSA-N 2 0 353.304 3.433 20 0 FGADRP CCCC[N@H+](C)CC1CC[NH+](Cc2cccc(NS(C)(=O)=O)c2)CC1 ZINC000678139267 721941113 /nfs/dbraw/zinc/94/11/13/721941113.db2.gz PVXOKXNIXPACOT-UHFFFAOYSA-N 2 0 367.559 3.002 20 0 FGADRP C[NH+]1CCC(N2CC[C@H]([NH2+][C@H]3CCCOc4cc(Cl)ccc43)C2)CC1 ZINC000678770859 721977571 /nfs/dbraw/zinc/97/75/71/721977571.db2.gz INQUINIOOYRPLI-LPHOPBHVSA-N 2 0 363.933 3.312 20 0 FGADRP C[NH+]1CCC(CC(=O)NC[C@@H](c2cccc(Cl)c2)[NH+]2CCCC2)CC1 ZINC000680358138 722108088 /nfs/dbraw/zinc/10/80/88/722108088.db2.gz OSRKYFUIVVDVBK-IBGZPJMESA-N 2 0 363.933 3.325 20 0 FGADRP Fc1ccc(/C=C/C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)c(F)c1 ZINC000680473125 722122210 /nfs/dbraw/zinc/12/22/10/722122210.db2.gz LVXVLGKBDMKWRF-OWOJBTEDSA-N 2 0 350.453 3.412 20 0 FGADRP CC[NH+]1CCC(C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)N(C(=O)OC(C)(C)C)C3)CC1 ZINC000707908319 722412400 /nfs/dbraw/zinc/41/24/00/722412400.db2.gz QKILMBYQVQKLCU-KSZLIROESA-N 2 0 351.535 3.096 20 0 FGADRP C[NH+]1CCC(CC[NH2+][C@@H]2C[C@H]3C[C@@H](C2)N(C(=O)OC(C)(C)C)C3)CC1 ZINC000707911978 722412423 /nfs/dbraw/zinc/41/24/23/722412423.db2.gz AOFNNIOFQBJQFW-KSZLIROESA-N 2 0 351.535 3.096 20 0 FGADRP C[C@@H]([NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)OC(C)(C)C)C2)C1CC[NH+](C)CC1 ZINC000709489489 722413158 /nfs/dbraw/zinc/41/31/58/722413158.db2.gz ZNPWOIFNKICCEU-FZCLSBEQSA-N 2 0 351.535 3.094 20 0 FGADRP OC1(CC[NH2+]Cc2ccncc2Cl)CC[NH+](Cc2ccccc2)CC1 ZINC000717960364 722417874 /nfs/dbraw/zinc/41/78/74/722417874.db2.gz JPCHSMMMGPNUMZ-UHFFFAOYSA-N 2 0 359.901 3.242 20 0 FGADRP CC[NH+](CC)C[C@@H](C)NC(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000726245033 722432443 /nfs/dbraw/zinc/43/24/43/722432443.db2.gz MNNRMIHPSDAYAN-QGZVFWFLSA-N 2 0 352.567 3.061 20 0 FGADRP CC(C)[C@H](C)[N@@H+]1Cc2cccc(NC(=S)NC3CC[NH+](C)CC3)c2C1 ZINC000727704916 722446860 /nfs/dbraw/zinc/44/68/60/722446860.db2.gz KYSRVLMNNKXUBK-HNNXBMFYSA-N 2 0 360.571 3.427 20 0 FGADRP O[C@@H](COCc1ccccc1Cl)C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000738881421 722531897 /nfs/dbraw/zinc/53/18/97/722531897.db2.gz IQJKRRUHFBXQBL-RTBURBONSA-N 2 0 366.933 3.168 20 0 FGADRP C[C@@H](CNC(=O)N(CC[NH+](C)C)CC1CCCCC1)[NH+]1CCCCC1 ZINC000738982840 722532066 /nfs/dbraw/zinc/53/20/66/722532066.db2.gz CDHKIHZXOHOZCO-SFHVURJKSA-N 2 0 352.567 3.014 20 0 FGADRP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)NCCCCCCC[NH+]1CCCC1 ZINC000747955684 722669469 /nfs/dbraw/zinc/66/94/69/722669469.db2.gz JRWCOFOLWLPENZ-IBGZPJMESA-N 2 0 352.567 3.016 20 0 FGADRP CCO[C@H](CC[NH+](C)C)C[NH2+]Cc1sc2nc(C)nc(C)c2c1C ZINC000754047739 722924679 /nfs/dbraw/zinc/92/46/79/722924679.db2.gz PDOKWCWGZRSQLU-OAHLLOKOSA-N 2 0 350.532 3.063 20 0 FGADRP CC[N@@H+]1C[C@H](C)N(C(=O)NCCCCCCC[NH+]2CCCC2)C[C@@H]1C ZINC000766251772 723564601 /nfs/dbraw/zinc/56/46/01/723564601.db2.gz FIEUNJIRSBNXLV-OALUTQOASA-N 2 0 352.567 3.157 20 0 FGADRP O[C@H](C[NH2+][C@H]1CCC[C@H]1c1ccccc1C(F)(F)F)C[NH+]1CCCC1 ZINC000768094600 723646880 /nfs/dbraw/zinc/64/68/80/723646880.db2.gz ATBSMMMDUVCKOP-HFTRVMKXSA-N 2 0 356.432 3.388 20 0 FGADRP COc1c(C)cc([C@@H](C)[NH2+]CC(C)(C)N2CC[NH+](C)CC2)cc1Cl ZINC000796682285 723650006 /nfs/dbraw/zinc/65/00/06/723650006.db2.gz JDFGSWAISATNJR-OAHLLOKOSA-N 2 0 353.938 3.334 20 0 FGADRP COc1ccc([C@H](C)[NH2+][C@@H](C)CC[S@@](C)=O)cc1C[NH+]1CCCCC1 ZINC000775416889 723989773 /nfs/dbraw/zinc/98/97/73/723989773.db2.gz ZLOMAQOHAJTBIG-XOWTYJCDSA-N 2 0 366.571 3.489 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+][C@H]2CCC[C@@H]2NC(=O)OC(C)(C)C)C1 ZINC000775621010 724011921 /nfs/dbraw/zinc/01/19/21/724011921.db2.gz GXHMXTGEHRMGDC-MHORFTMASA-N 2 0 353.551 3.390 20 0 FGADRP CC(C)(C)OC(=O)NCC[C@@H]1CCC[N@H+](CCC[NH+]2CCCCC2)C1 ZINC000799360594 724018453 /nfs/dbraw/zinc/01/84/53/724018453.db2.gz OXDIFKPGCOWFFI-SFHVURJKSA-N 2 0 353.551 3.489 20 0 FGADRP COc1ccc([C@@H](C)[NH2+]CC2([S@@](C)=O)CC2)cc1C[NH+]1CCCCC1 ZINC000799727410 724088443 /nfs/dbraw/zinc/08/84/43/724088443.db2.gz JIWKXTPNFUSOSK-PUAOIOHZSA-N 2 0 364.555 3.243 20 0 FGADRP C[C@@H](CC[NH2+]CC1CCN(C(=O)OC(C)(C)C)CC1)[NH+]1CCCCC1 ZINC000784671731 724871287 /nfs/dbraw/zinc/87/12/87/724871287.db2.gz UXQQHXYSMBFELX-KRWDZBQOSA-N 2 0 353.551 3.488 20 0 FGADRP CC(C)CC[NH+]1CCC(C[NH2+]Cc2cnc(C3OCCO3)s2)CC1 ZINC000809626009 725253469 /nfs/dbraw/zinc/25/34/69/725253469.db2.gz VRIHCTLZPKKESL-UHFFFAOYSA-N 2 0 353.532 3.036 20 0 FGADRP C[C@@H]1C[C@H]1C[NH2+]C1CCC([NH+]2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000812801100 726813135 /nfs/dbraw/zinc/81/31/35/726813135.db2.gz DBJSKULCBPGEKH-VEZWFGLTSA-N 2 0 351.535 3.096 20 0 FGADRP CC[NH+]1CCC(C[NH2+]Cc2c(F)ccc(C3OCCO3)c2Cl)CC1 ZINC000812831513 726816173 /nfs/dbraw/zinc/81/61/73/726816173.db2.gz VNVPQHXQBGXTBB-UHFFFAOYSA-N 2 0 356.869 3.346 20 0 FGADRP C[N@@H+]1CCC[C@@]2(CC[NH+](C[C@]3(C)CCN(C(=O)OC(C)(C)C)C3)C2)C1 ZINC000816641944 727184113 /nfs/dbraw/zinc/18/41/13/727184113.db2.gz KJEIJDNIQKGITC-VQTJNVASSA-N 2 0 351.535 3.051 20 0 FGADRP O[C@H](C[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1ccc(Cl)cc1 ZINC000817898632 727287190 /nfs/dbraw/zinc/28/71/90/727287190.db2.gz IJZIKWCTOXIXHD-NSHGMRRFSA-N 2 0 358.869 3.219 20 0 FGADRP O[C@@H](C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1)c1cccc(Br)c1 ZINC000817929606 727288046 /nfs/dbraw/zinc/28/80/46/727288046.db2.gz IRYOYQPKXHZISM-XDNAFOTISA-N 2 0 367.331 3.383 20 0 FGADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C[C@@H](O)c1cccc(Br)c1 ZINC000817930144 727288065 /nfs/dbraw/zinc/28/80/65/727288065.db2.gz XYNQXEQLSDGGHK-XOKHGSTOSA-N 2 0 355.320 3.383 20 0 FGADRP O[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)c1cccc(Br)c1 ZINC000817929068 727288114 /nfs/dbraw/zinc/28/81/14/727288114.db2.gz IRYOYQPKXHZISM-BSDSXHPESA-N 2 0 367.331 3.383 20 0 FGADRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C[C@@H](O)c1cccc(Br)c1 ZINC000817930142 727288163 /nfs/dbraw/zinc/28/81/63/727288163.db2.gz XYNQXEQLSDGGHK-RRQGHBQHSA-N 2 0 355.320 3.383 20 0 FGADRP C[C@H]1CC2(C[N@@H+]1CC(=O)Nc1ccccc1SC(F)F)CC[NH2+]CC2 ZINC000818341024 727308190 /nfs/dbraw/zinc/30/81/90/727308190.db2.gz VEFRRIAOMNXICK-ZDUSSCGKSA-N 2 0 369.481 3.404 20 0 FGADRP C[C@H](C[NH2+]C[C@@H](O)c1cccc(Br)c1)C[NH+]1CCCCC1 ZINC000818970204 727332216 /nfs/dbraw/zinc/33/22/16/727332216.db2.gz VDOVBEZFTOLKCW-RHSMWYFYSA-N 2 0 355.320 3.194 20 0 FGADRP C[NH+](C)CCOc1ccccc1C[NH2+]C[C@H](O)c1ccc(Cl)c(F)c1 ZINC000818985097 727334468 /nfs/dbraw/zinc/33/44/68/727334468.db2.gz NYONSVRLYQWANO-SFHVURJKSA-N 2 0 366.864 3.243 20 0 FGADRP C[C@H]([NH2+]C[C@](C)(O)c1ccc(Br)cc1F)C1=CC[N@H+](C)CC1 ZINC000819220382 727359290 /nfs/dbraw/zinc/35/92/90/727359290.db2.gz NKUYDHSQIXIJQN-SJCJKPOMSA-N 2 0 371.294 3.036 20 0 FGADRP C[C@@H](CC[NH2+]C[C@H](O)c1cccc(Br)c1)[NH+]1CCCCC1 ZINC000819228408 727359932 /nfs/dbraw/zinc/35/99/32/727359932.db2.gz HGSFILDGEUFYRG-YOEHRIQHSA-N 2 0 355.320 3.337 20 0 FGADRP C[C@H](CC[NH2+]C[C@H](O)c1ccccc1Br)[NH+]1CCCCC1 ZINC000819231449 727360279 /nfs/dbraw/zinc/36/02/79/727360279.db2.gz WRAVUATYIJRLIE-PBHICJAKSA-N 2 0 355.320 3.337 20 0 FGADRP CSC1(C[NH2+]C[C@H](O)c2ccccc2C(F)(F)F)CC[NH+](C)CC1 ZINC000819321774 727366899 /nfs/dbraw/zinc/36/68/99/727366899.db2.gz NAJFRMSSDBGMGZ-HNNXBMFYSA-N 2 0 362.461 3.156 20 0 FGADRP C[C@H]1CC[C@H]([NH2+]C2CC([NH+]3CCCCC3)C2)CN1C(=O)OC(C)(C)C ZINC000822476134 729179191 /nfs/dbraw/zinc/17/91/91/729179191.db2.gz HTVANHWQQSCOHR-VYMRPNJYSA-N 2 0 351.535 3.381 20 0 FGADRP CC(C)[C@H](CNC(=O)OC(C)(C)C)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000823489259 729284947 /nfs/dbraw/zinc/28/49/47/729284947.db2.gz CNMGTRYOGRIFDP-KZNAEPCWSA-N 2 0 353.551 3.199 20 0 FGADRP C[C@@H]1C[C@H](C[NH2+][C@H]2CCC[C@H]([NH+](C)C)C2)CCN1C(=O)OC(C)(C)C ZINC000823961929 729314236 /nfs/dbraw/zinc/31/42/36/729314236.db2.gz ZNTUCJZKLQSCST-BDXSIMOUSA-N 2 0 353.551 3.484 20 0 FGADRP C[C@H]1C[C@@H](C[NH2+]CCCC[N@H+](C)C2CC2)CCN1C(=O)OC(C)(C)C ZINC000835063123 729854850 /nfs/dbraw/zinc/85/48/50/729854850.db2.gz HJNGQSZXNCYIEM-IRXDYDNUSA-N 2 0 353.551 3.486 20 0 FGADRP Cc1ccc(-n2c(Cl)c(C[NH2+][C@H]3CC[C@@H](C[NH3+])C3)nc2N(C)C)cc1 ZINC000841084928 730208857 /nfs/dbraw/zinc/20/88/57/730208857.db2.gz QIRRWCBIMXJITQ-CABCVRRESA-N 2 0 361.921 3.117 20 0 FGADRP C[N@H+](CC(=O)N[C@@H](c1cccs1)c1ccccc1)C1CCC([NH3+])CC1 ZINC000843354197 730609764 /nfs/dbraw/zinc/60/97/64/730609764.db2.gz XOVVFWGMXNNSFX-LBXVMSDZSA-N 2 0 357.523 3.155 20 0 FGADRP CC(C)(C)OC(=O)NCCC1CC([NH2+]CC2CC[NH+](C3CC3)CC2)C1 ZINC000845964256 730913176 /nfs/dbraw/zinc/91/31/76/730913176.db2.gz GCQGQYWJILIEFC-UHFFFAOYSA-N 2 0 351.535 3.144 20 0 FGADRP [NH2+]=C(NCCCc1cccs1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000849057401 731225039 /nfs/dbraw/zinc/22/50/39/731225039.db2.gz UJHSMPHAJOIGAA-UHFFFAOYSA-N 2 0 356.539 3.459 20 0 FGADRP C[C@H](CNC(=[NH2+])NC1CC[NH+](Cc2ccccc2)CC1)c1nccs1 ZINC000849081741 731226906 /nfs/dbraw/zinc/22/69/06/731226906.db2.gz BKHMKSJSQPHYFM-OAHLLOKOSA-N 2 0 357.527 3.025 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1nc(-c2ccccc2F)cs1 ZINC000849110649 731230414 /nfs/dbraw/zinc/23/04/14/731230414.db2.gz MPWVALHLBVHFDW-ZDUSSCGKSA-N 2 0 361.490 3.047 20 0 FGADRP C[C@@H](CNC(=[NH2+])NC1CC[NH+](Cc2ccccc2)CC1)CC(F)(F)F ZINC000849117694 731231264 /nfs/dbraw/zinc/23/12/64/731231264.db2.gz QUNOASZXTQKSEF-CQSZACIVSA-N 2 0 356.436 3.353 20 0 FGADRP CC(C)(C)OC(=O)N1CC2CC1(C[NH2+]C1CC[NH+](C(C)(C)C)CC1)C2 ZINC000850566025 731373999 /nfs/dbraw/zinc/37/39/99/731373999.db2.gz SHIXTGKLPYJVQX-UHFFFAOYSA-N 2 0 351.535 3.238 20 0 FGADRP CC[C@@H]1[C@@H]([NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)CCN1C(=O)OC(C)(C)C ZINC000858500238 732220868 /nfs/dbraw/zinc/22/08/68/732220868.db2.gz YZGQURFCVAAJCH-SFFUCWETSA-N 2 0 351.535 3.237 20 0 FGADRP CC(=O)NCC1CCC([NH2+]CC2CC[NH+](Cc3cccs3)CC2)CC1 ZINC000865438111 733201006 /nfs/dbraw/zinc/20/10/06/733201006.db2.gz LOFUOOYAGRMMIV-UHFFFAOYSA-N 2 0 363.571 3.245 20 0 FGADRP C[NH+](C)CC1CCC([NH2+]C[C@H](CC(F)F)NC(=O)OC(C)(C)C)CC1 ZINC000865508271 733216307 /nfs/dbraw/zinc/21/63/07/733216307.db2.gz HCASIVXVAIIBSQ-NRXISQOPSA-N 2 0 363.493 3.245 20 0 FGADRP C[N@@H+]1CCCC[C@H](C[NH2+]C[C@@H](CC(F)(F)F)NC(=O)OC(C)(C)C)C1 ZINC000865641078 733243620 /nfs/dbraw/zinc/24/36/20/733243620.db2.gz SMCOCTUVRQTWBG-ZIAGYGMSSA-N 2 0 367.456 3.154 20 0 FGADRP C[NH+]1CCC(C[NH2+][C@H]2CCO[C@@H](C(F)(F)F)C2)(c2ccccc2)CC1 ZINC000865774708 733267050 /nfs/dbraw/zinc/26/70/50/733267050.db2.gz LHZUAJSLBBDENU-DLBZAZTESA-N 2 0 356.432 3.350 20 0 FGADRP CC(C)[C@H](C[NH2+][C@@H](C)c1cc2c(ccnc2Cl)o1)N1CC[NH+](C)CC1 ZINC000866225675 733326457 /nfs/dbraw/zinc/32/64/57/733326457.db2.gz BJHLJXRFHVEORM-HOCLYGCPSA-N 2 0 364.921 3.404 20 0 FGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H](C)c2cc3c(ccnc3Cl)o2)CC1 ZINC000866260544 733330541 /nfs/dbraw/zinc/33/05/41/733330541.db2.gz VEHSMFDTGZOLCH-CABCVRRESA-N 2 0 364.921 3.405 20 0 FGADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1cc2c(ccnc2Cl)o1 ZINC000866340700 733337685 /nfs/dbraw/zinc/33/76/85/733337685.db2.gz IFMJRFBGVGAGDX-KBPBESRZSA-N 2 0 350.894 3.158 20 0 FGADRP C[NH+](C)C1(C)CCC([NH2+]C[C@@H](O)COCc2ccc(Cl)cc2)CC1 ZINC000872228535 735605495 /nfs/dbraw/zinc/60/54/95/735605495.db2.gz JGFPHRNAVDIROY-JLAWEPINSA-N 2 0 354.922 3.070 20 0 FGADRP O=C(CC1CCCC1)N1CCC[N@H+](Cc2cc3c(s2)CC[NH2+]C3)CC1 ZINC000873207489 735737829 /nfs/dbraw/zinc/73/78/29/735737829.db2.gz DPTFAFKWQOUZAW-UHFFFAOYSA-N 2 0 361.555 3.008 20 0 FGADRP C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+][C@@H](C)C1CC[NH2+]CC1 ZINC000873220411 735739778 /nfs/dbraw/zinc/73/97/78/735739778.db2.gz NYYUJDZXWFPITD-CABCVRRESA-N 2 0 351.922 3.055 20 0 FGADRP C[C@@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[NH2+]C[C@H]1C[C@H]([NH3+])C1 ZINC000873256650 735743990 /nfs/dbraw/zinc/74/39/90/735743990.db2.gz BUGGPDMNDDAVMB-DCAQKATOSA-N 2 0 363.811 3.403 20 0 FGADRP COc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CC3(CO1)CC[NH2+]CC3)CCCS2 ZINC000873290892 735747055 /nfs/dbraw/zinc/74/70/55/735747055.db2.gz BPABMXBDGNVPID-AEFFLSMTSA-N 2 0 362.539 3.371 20 0 FGADRP C[C@@H]([NH3+])c1ccc(CNC(=O)[C@H]([NH3+])c2cccc(C(F)(F)F)c2)cc1 ZINC000876539260 736111066 /nfs/dbraw/zinc/11/10/66/736111066.db2.gz AUCGNJVKBOIHDR-BDJLRTHQSA-N 2 0 351.372 3.041 20 0 FGADRP Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000876743282 736139043 /nfs/dbraw/zinc/13/90/43/736139043.db2.gz AXGWPWDWGJOHSG-QUCCMNQESA-N 2 0 359.539 3.015 20 0 FGADRP C[NH+](C)Cc1ccc(NC(=O)c2csc(C3CC[NH2+]CC3)n2)cc1F ZINC000876777308 736143438 /nfs/dbraw/zinc/14/34/38/736143438.db2.gz PSZQFCYILHHCOU-UHFFFAOYSA-N 2 0 362.474 3.063 20 0 FGADRP COCC[N@@H+](Cc1cc(Cl)c(OC)c(OC)c1)CC1CC[NH+](C)CC1 ZINC000877665025 736701945 /nfs/dbraw/zinc/70/19/45/736701945.db2.gz CZLWSCYGBKVLSS-UHFFFAOYSA-N 2 0 370.921 3.147 20 0 FGADRP C[NH+](C)C[C@@H]1CN(Cc2cc(Cl)cc3cccnc32)C[C@H]1C[NH+](C)C ZINC000877669439 736702006 /nfs/dbraw/zinc/70/20/06/736702006.db2.gz JMPSGGSDNOZFAF-QZTJIDSGSA-N 2 0 360.933 3.059 20 0 FGADRP Cc1cc(C(F)(F)F)ccc1C[NH+]1CCC(N2CC[NH+](C)CC2)CC1 ZINC000877746859 736713450 /nfs/dbraw/zinc/71/34/50/736713450.db2.gz ZRZGCIZPBQVJQF-UHFFFAOYSA-N 2 0 355.448 3.226 20 0 FGADRP C[NH+]1CCC(NC(=O)CN(Cc2cccs2)Cc2cccs2)CC1 ZINC000877894640 736739661 /nfs/dbraw/zinc/73/96/61/736739661.db2.gz UYLMHBTWBKXURE-UHFFFAOYSA-N 2 0 363.552 3.022 20 0 FGADRP CC(C)[NH+]1CCN(C2CC[NH+](C[C@@H]3CC(C)(C)OC3(C)C)CC2)CC1 ZINC000878321815 736806587 /nfs/dbraw/zinc/80/65/87/736806587.db2.gz HVYJYRJHOBOSDD-SFHVURJKSA-N 2 0 351.579 3.071 20 0 FGADRP [NH3+][C@H](C[C@@H]1CCC[N@H+](C[C@H]2CCC3(CCOCC3)O2)C1)C1CCCC1 ZINC000883441177 737566766 /nfs/dbraw/zinc/56/67/66/737566766.db2.gz JHNQHIHREZTVKB-DFQSSKMNSA-N 2 0 350.547 3.334 20 0 FGADRP Cn1ncc(Br)c1C[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000886645255 739277900 /nfs/dbraw/zinc/27/79/00/739277900.db2.gz VNNFXROBLBRKMC-UHFFFAOYSA-N 2 0 355.324 3.069 20 0 FGADRP C[C@@H]1[C@H](C)OC[C@]12CC[C@H](C[NH2+]C1CCC(C)([NH+]3CCCC3)CC1)O2 ZINC000886768597 739295465 /nfs/dbraw/zinc/29/54/65/739295465.db2.gz DJOKWHRWQMGEIH-DHPOPTPOSA-N 2 0 350.547 3.346 20 0 FGADRP COCCCC1(C[NH+]2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)CCC1 ZINC000891845019 739942853 /nfs/dbraw/zinc/94/28/53/739942853.db2.gz LBVCZEVWYNQOTO-BGYRXZFFSA-N 2 0 351.579 3.074 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N1CCC12CC[NH+](C)CC2)c1ccsc1 ZINC000891877756 739946848 /nfs/dbraw/zinc/94/68/48/739946848.db2.gz NQWGIWFVEWHGBG-QGZVFWFLSA-N 2 0 364.559 3.011 20 0 FGADRP C[NH+]1CCN(c2cc[nH+]c(NCc3cnc(CC(F)(F)F)s3)c2)CC1 ZINC000895758487 742451387 /nfs/dbraw/zinc/45/13/87/742451387.db2.gz IIOWFHZBHOVXOA-UHFFFAOYSA-N 2 0 371.432 3.007 20 0 FGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H](C)c2ccc(C(F)(F)F)cn2)CC1 ZINC000902791333 743775925 /nfs/dbraw/zinc/77/59/25/743775925.db2.gz UMLQLXORSZMLOR-HUUCEWRRSA-N 2 0 358.452 3.025 20 0 FGADRP C([C@@H]1CCOC1)[NH+]1CCC([NH2+][C@H]2CCC[C@H](C3CCOCC3)C2)CC1 ZINC000902810000 743777407 /nfs/dbraw/zinc/77/74/07/743777407.db2.gz YWYSIPAGLIJLEO-CUWPLCDZSA-N 2 0 350.547 3.062 20 0 FGADRP C[C@H]1CCC[C@H]([NH+]2CCC([NH2+]CC3CCC(S(C)(=O)=O)CC3)CC2)C1 ZINC000903156632 743814243 /nfs/dbraw/zinc/81/42/43/743814243.db2.gz WIPQWNLIZNMUJE-YMPIPDKKSA-N 2 0 370.603 3.223 20 0 FGADRP FC1(F)[C@@H](C[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)[C@@H]1c1ccccc1 ZINC000903474270 743853970 /nfs/dbraw/zinc/85/39/70/743853970.db2.gz KNNJRUNFDCHQRX-QYZOEREBSA-N 2 0 350.453 3.126 20 0 FGADRP Clc1ccccc1OC[C@@H]1CCC[N@H+](C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)C1 ZINC000903757110 743881056 /nfs/dbraw/zinc/88/10/56/743881056.db2.gz XWZDTNMAKURIJS-MBOZVWFJSA-N 2 0 364.917 3.199 20 0 FGADRP O=C(c1cccc(Cl)c1)N1CCC[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000903884789 743892525 /nfs/dbraw/zinc/89/25/25/743892525.db2.gz ALPWGHAULFVWAD-QNBRMCRTSA-N 2 0 361.917 3.019 20 0 FGADRP O=C(c1ccc(Cl)cc1)N1CCC[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000903887295 743892649 /nfs/dbraw/zinc/89/26/49/743892649.db2.gz YIDCOGGXTOFOQH-QNBRMCRTSA-N 2 0 361.917 3.019 20 0 FGADRP FC(F)Oc1cccc([C@H]2C[N@H+](CC3C[C@H]4CC[C@@H](C3)[NH2+]4)CCO2)c1 ZINC000903900103 743894177 /nfs/dbraw/zinc/89/41/77/743894177.db2.gz ZXVWUVZKCZELLM-NPVYPNSJSA-N 2 0 352.425 3.192 20 0 FGADRP C[C@@H](Cc1ccc(Br)c(F)c1)[NH2+]C[C@H]1C[NH2+]CCC1(F)F ZINC000903956951 743905411 /nfs/dbraw/zinc/90/54/11/743905411.db2.gz NYFAJTNCAADUCO-CMPLNLGQSA-N 2 0 365.237 3.354 20 0 FGADRP CC[C@](O)(C[NH2+]CC1CC[NH+](Cc2cccs2)CC1)C(F)(F)F ZINC000905076244 743991582 /nfs/dbraw/zinc/99/15/82/743991582.db2.gz NWEGTYJJULXDCT-HNNXBMFYSA-N 2 0 350.450 3.253 20 0 FGADRP CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1ccc(C(F)(F)F)cc1)C2 ZINC000922386559 758909016 /nfs/dbraw/zinc/90/90/16/758909016.db2.gz ICYHLNQZDXQZAG-BDXSIMOUSA-N 2 0 356.432 3.275 20 0 FGADRP CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]C/C=C/c1ccc(F)cc1F)C2 ZINC000922387418 758909250 /nfs/dbraw/zinc/90/92/50/758909250.db2.gz KRWDXRJNTCRZQR-WPNHUXKJSA-N 2 0 350.453 3.047 20 0 FGADRP CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3ccc(SC)s3)C2)[C@@H]1C(C)C ZINC000922396087 758914808 /nfs/dbraw/zinc/91/48/08/758914808.db2.gz ZZBKMZARVNLMRB-LMSBXDPUSA-N 2 0 354.585 3.429 20 0 FGADRP FC(F)(F)c1ccn([C@H]2CCC[N@H+](CCC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)n1 ZINC000923373551 759106991 /nfs/dbraw/zinc/10/69/91/759106991.db2.gz ORDZDXAIUFQMKC-UYTSQGDYSA-N 2 0 356.436 3.460 20 0 FGADRP [NH3+]C[C@@H]1CC2(CO1)CC[NH+](Cc1csc(-c3ccc(F)cc3)n1)CC2 ZINC000923448259 759119226 /nfs/dbraw/zinc/11/92/26/759119226.db2.gz AKVVBWACGRYACL-KRWDZBQOSA-N 2 0 361.486 3.279 20 0 FGADRP COc1ccc(-c2nc(C[N@@H+]3CC[C@H](C[NH3+])[C@@H](C)C3)cs2)cc1OC ZINC000923495273 759132408 /nfs/dbraw/zinc/13/24/08/759132408.db2.gz BECTZDUBNIQSOU-DZGCQCFKSA-N 2 0 361.511 3.244 20 0 FGADRP C[C@@H]([NH2+]CCCS(=O)(=O)c1ccccc1)c1cccc(C[NH+](C)C)c1 ZINC000924808149 759395856 /nfs/dbraw/zinc/39/58/56/759395856.db2.gz YTDGTDOCRPAKSF-QGZVFWFLSA-N 2 0 360.523 3.263 20 0 FGADRP C[C@H](C[C@@H]1CCC(=O)N1)[NH2+]CC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000924993656 759429102 /nfs/dbraw/zinc/42/91/02/759429102.db2.gz QNPPXAOIHHAGJN-QAPCUYQASA-N 2 0 363.933 3.199 20 0 FGADRP [NH3+]CCC[C@H]([NH2+]C[C@@H](c1cccs1)N1CCOCC1)c1ccccc1 ZINC000925505965 759497938 /nfs/dbraw/zinc/49/79/38/759497938.db2.gz QHVUTOYLDSHAFT-OALUTQOASA-N 2 0 359.539 3.191 20 0 FGADRP [NH3+]CCC[C@@H]([NH2+]C[C@H](c1cccs1)N1CCOCC1)c1ccccc1 ZINC000925505967 759498142 /nfs/dbraw/zinc/49/81/42/759498142.db2.gz QHVUTOYLDSHAFT-RTBURBONSA-N 2 0 359.539 3.191 20 0 FGADRP Brc1cnn(CCCC[NH2+][C@H]2CC[NH2+]C[C@@H]2C2CCCC2)c1 ZINC000925653463 759517258 /nfs/dbraw/zinc/51/72/58/759517258.db2.gz LSTTUJOATDVLOY-SJORKVTESA-N 2 0 369.351 3.184 20 0 FGADRP CSC[C@H]([NH2+]CCN1CCC([NH3+])CC1)c1ccc(C(F)(F)F)cc1 ZINC000925813210 759549608 /nfs/dbraw/zinc/54/96/08/759549608.db2.gz SRWAWAKZRZJYBN-INIZCTEOSA-N 2 0 361.477 3.122 20 0 FGADRP O=C1O[C@H](C[NH2+][C@@H]2CC[C@@H](c3cccc(Cl)c3)C2)CC12CC[NH2+]CC2 ZINC000925852074 759558235 /nfs/dbraw/zinc/55/82/35/759558235.db2.gz ZTTLVPYHOAOANT-NXHRZFHOSA-N 2 0 362.901 3.251 20 0 FGADRP C[C@H]([NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1cccc(C(F)(F)F)c1 ZINC000925857137 759561503 /nfs/dbraw/zinc/56/15/03/759561503.db2.gz ROPGGSNTMNOBJB-WFASDCNBSA-N 2 0 356.388 3.041 20 0 FGADRP Cc1c(Cl)cccc1NC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000925896140 759570241 /nfs/dbraw/zinc/57/02/41/759570241.db2.gz XWNDQTOFYVYAQX-IYBDPMFKSA-N 2 0 362.905 3.081 20 0 FGADRP CCOC(=O)C(F)(F)[C@@H]1CC[C@H]([NH2+]C2CCC(C)([NH+]3CCC3)CC2)C1 ZINC000927037345 759880019 /nfs/dbraw/zinc/88/00/19/759880019.db2.gz JFDFIWYTNNDDFT-CTMQZQKCSA-N 2 0 358.473 3.350 20 0 FGADRP CC(C)[N@H+](C)Cc1cc(O[C@H]2CC[NH+](CCc3ccns3)C2)ccn1 ZINC000931094345 760773816 /nfs/dbraw/zinc/77/38/16/760773816.db2.gz NCRPHWCRDQWCRC-SFHVURJKSA-N 2 0 360.527 3.074 20 0 FGADRP C[C@@H]1[C@H](C(=O)N2CCC([NH+](C)Cc3ccc(Cl)cc3)CC2)CC[N@@H+]1C ZINC000985443380 763931106 /nfs/dbraw/zinc/93/11/06/763931106.db2.gz YWJOBNXPNOIPEP-DNVCBOLYSA-N 2 0 363.933 3.103 20 0 FGADRP Cc1cccc(Cl)c1C[NH2+]C1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC000996606375 765021402 /nfs/dbraw/zinc/02/14/02/765021402.db2.gz GXPQIGHDNABIEQ-NVXWUHKLSA-N 2 0 363.933 3.069 20 0 FGADRP CC[C@@H]1[C@@H](C(=O)N[C@H](C)C2CC[NH+](CCC(C)(C)C)CC2)CC[N@@H+]1C ZINC000997094659 765045106 /nfs/dbraw/zinc/04/51/06/765045106.db2.gz VQPKTQOAYOOHFC-NZSAHSFTSA-N 2 0 351.579 3.370 20 0 FGADRP Cc1cccc(Cl)c1C[NH2+]C1CC(N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000998792294 765124126 /nfs/dbraw/zinc/12/41/26/765124126.db2.gz XELBLTVCADXJPK-RDHHWEPZSA-N 2 0 363.933 3.068 20 0 FGADRP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]([NH2+]Cc3ccccc3Cl)C2)CC[N@@H+]1C ZINC000999204303 765147559 /nfs/dbraw/zinc/14/75/59/765147559.db2.gz DWNOKKPFYSUXAH-ZIFCJYIRSA-N 2 0 363.933 3.151 20 0 FGADRP C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1)c1cccc(Cl)c1F ZINC001022105293 765974192 /nfs/dbraw/zinc/97/41/92/765974192.db2.gz YNMGUDORHUDRDU-AQDIXCGQSA-N 2 0 367.896 3.117 20 0 FGADRP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCC[NH+]2Cc2ccccc2Cl)CC[N@@H+]1C ZINC001027892839 766104888 /nfs/dbraw/zinc/10/48/88/766104888.db2.gz DYCBASRBNAGCSB-ZIFCJYIRSA-N 2 0 363.933 3.151 20 0 FGADRP C[C@@H]1[C@H](C(=O)N2CC[C@@H](C[NH+](C)Cc3ccc(Cl)s3)C2)CC[N@@H+]1C ZINC001029741116 766151110 /nfs/dbraw/zinc/15/11/10/766151110.db2.gz JJKUNJMAWCCBTF-IJEWVQPXSA-N 2 0 369.962 3.022 20 0 FGADRP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCCC[NH+](Cc3csc(C)c3)C2)CC[N@@H+]1C ZINC001034216688 766233276 /nfs/dbraw/zinc/23/32/76/766233276.db2.gz JJOCSNLYBGNLCX-CEXWTWQISA-N 2 0 363.571 3.258 20 0 FGADRP CC[C@@H]1[C@@H](C(=O)N[C@@]2(C)CC[NH+](Cc3ccc(Cl)cc3)C2)CC[N@@H+]1C ZINC001046330905 766586005 /nfs/dbraw/zinc/58/60/05/766586005.db2.gz WOOAQTNKFSTWON-NSHGMRRFSA-N 2 0 363.933 3.151 20 0 FGADRP C[NH+]1CCC(C[NH2+]Cc2cc(Br)ccc2OC(F)F)CC1 ZINC000044516460 257340533 /nfs/dbraw/zinc/34/05/33/257340533.db2.gz DFTOTBHQYIBJTF-UHFFFAOYSA-N 2 0 363.246 3.482 20 0 FGADRP CCC(C)(C)[NH2+][C@H](C)C(=O)Nc1ccc(N(C)C2CC[NH+](C)CC2)cc1 ZINC000274617845 257374340 /nfs/dbraw/zinc/37/43/40/257374340.db2.gz JVKVUEMPGCMTLM-MRXNPFEDSA-N 2 0 360.546 3.322 20 0 FGADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccc(-n4ccc(C(F)(F)F)n4)cc3)C[C@@H]21 ZINC000573608390 505577775 /nfs/dbraw/zinc/57/77/75/505577775.db2.gz OUDVVAHTTGPXKA-BHYGNILZSA-N 2 0 364.415 3.450 20 0 FGADRP CCCOc1ccc(Br)cc1CN1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000573801703 505624711 /nfs/dbraw/zinc/62/47/11/505624711.db2.gz KEANSWMNFTZREB-UKRRQHHQSA-N 2 0 353.304 3.279 20 0 FGADRP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@@H]2C[NH2+]Cc3ccccc32)CC1 ZINC000573840010 505632981 /nfs/dbraw/zinc/63/29/81/505632981.db2.gz NGVHVKZEPSTDHT-HTAPYJJXSA-N 2 0 363.505 3.215 20 0 FGADRP [NH3+][C@@H]1CCC[C@H](C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)C1 ZINC000573843480 505633859 /nfs/dbraw/zinc/63/38/59/505633859.db2.gz PRDFZQCDVUPYQQ-BQJUDKOJSA-N 2 0 355.526 3.017 20 0 FGADRP CC[NH+](CC)CCN(Cc1cccs1)C(=O)C[C@H]1CCCC[C@@H]1[NH3+] ZINC000571082347 505649015 /nfs/dbraw/zinc/64/90/15/505649015.db2.gz NJBCLEZWXFMZGK-AEFFLSMTSA-N 2 0 351.560 3.326 20 0 FGADRP C[C@@H]1[C@@H](NC(=O)N2CCCC[C@H]2c2ncc[nH]2)CC[N@@H+]1Cc1ccccc1 ZINC000573949755 505658800 /nfs/dbraw/zinc/65/88/00/505658800.db2.gz AUBVZJCXQVVPBR-NEWSRXKRSA-N 2 0 367.497 3.309 20 0 FGADRP CC[N@@H+]1CC[C@H]([NH+](C)CCC(=O)Nc2ccc(Cl)cc2F)[C@H](C)C1 ZINC000081096398 493830800 /nfs/dbraw/zinc/83/08/00/493830800.db2.gz QAQBYAASUUUQFJ-DYVFJYSZSA-N 2 0 355.885 3.470 20 0 FGADRP C[C@@H](CC[NH+](C)C)NC(=O)NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000068594845 493846367 /nfs/dbraw/zinc/84/63/67/493846367.db2.gz IXBWIBJVPNOFII-MSOLQXFVSA-N 2 0 360.546 3.058 20 0 FGADRP Cc1ccc(C[NH2+]Cc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)c(C)c1 ZINC000076331191 493866635 /nfs/dbraw/zinc/86/66/35/493866635.db2.gz QLBCPZYDMBSIQF-UHFFFAOYSA-N 2 0 365.521 3.419 20 0 FGADRP O=C(NCC[NH+]1CCCC1)c1ccc(C[NH2+]C/C=C/c2ccccc2)cc1 ZINC000076331058 493866887 /nfs/dbraw/zinc/86/68/87/493866887.db2.gz HKSLFFUXZKUOOQ-RMKNXTFCSA-N 2 0 363.505 3.315 20 0 FGADRP CC[NH+](CC)C[C@H]1CCN(C(=O)c2ccc(C[N@H+](CC)C3CC3)cc2)C1 ZINC000081334324 493873535 /nfs/dbraw/zinc/87/35/35/493873535.db2.gz XAKCSERCLDAMSQ-LJQANCHMSA-N 2 0 357.542 3.475 20 0 FGADRP CCC[N@H+](C)C[C@@H]1CC[NH+](CCC(=O)N[C@@H]2CCCc3ccccc32)C1 ZINC000081572893 493920652 /nfs/dbraw/zinc/92/06/52/493920652.db2.gz ABZAXLHVKBCWEN-GHTZIAJQSA-N 2 0 357.542 3.234 20 0 FGADRP COc1ccc(C[NH+]2CCC(C[NH2+]C[C@H](O)CC3CCCC3)CC2)cc1 ZINC000577216954 505690021 /nfs/dbraw/zinc/69/00/21/505690021.db2.gz ZSQNIKPNGWXUQR-OAQYLSRUSA-N 2 0 360.542 3.438 20 0 FGADRP CC(C)[NH+]1CCC(NC(=O)C[N@H+](C)[C@@H](C)Cc2ccc(Cl)cc2)CC1 ZINC000076732663 493961122 /nfs/dbraw/zinc/96/11/22/493961122.db2.gz QHMLESVTFFLBOC-INIZCTEOSA-N 2 0 365.949 3.192 20 0 FGADRP Cc1nc(C[NH2+]CCCC[NH+]2CCN(Cc3ccccc3)CC2)cs1 ZINC000069748081 494006915 /nfs/dbraw/zinc/00/69/15/494006915.db2.gz VUIIELVOMOOODP-UHFFFAOYSA-N 2 0 358.555 3.139 20 0 FGADRP CC(C)[N@@H+]1CCCN(C(=O)NCC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000069816676 494016344 /nfs/dbraw/zinc/01/63/44/494016344.db2.gz KFGSVAJFSSXABZ-UHFFFAOYSA-N 2 0 372.557 3.024 20 0 FGADRP Brc1ccc(OCC[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)cc1 ZINC000063199995 494033053 /nfs/dbraw/zinc/03/30/53/494033053.db2.gz SAERDPAWJLJAFQ-QGZVFWFLSA-N 2 0 353.304 3.292 20 0 FGADRP O[C@H](CCc1ccccc1)C[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000568450160 505696208 /nfs/dbraw/zinc/69/62/08/505696208.db2.gz LQAHWBNRYSBRNR-RBZQAINGSA-N 2 0 364.533 3.434 20 0 FGADRP C[NH+]1CCN(c2cc[nH+]cc2NCc2cc(O)cc(C(F)(F)F)c2)CC1 ZINC000568449999 505696339 /nfs/dbraw/zinc/69/63/39/505696339.db2.gz CZSQRPIPZZIKRA-UHFFFAOYSA-N 2 0 366.387 3.170 20 0 FGADRP C[C@H](c1cc2ccccc2o1)N(C)C(=O)C[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000577280660 505699373 /nfs/dbraw/zinc/69/93/73/505699373.db2.gz CPUDEEUIBGGVGA-BHIYHBOVSA-N 2 0 369.509 3.274 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+]CCC(=O)Nc2cc(F)cc(F)c2)C1 ZINC000568469226 505701689 /nfs/dbraw/zinc/70/16/89/505701689.db2.gz HYOKBHKAGYSBGD-GASCZTMLSA-N 2 0 353.457 3.251 20 0 FGADRP CC(C)C[N@H+](CCN(C)C)Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000577305642 505703057 /nfs/dbraw/zinc/70/30/57/505703057.db2.gz JVMLERDVFGHWTM-UHFFFAOYSA-N 2 0 360.590 3.237 20 0 FGADRP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](CCCC2CCCC2)CC1 ZINC000088535102 494246939 /nfs/dbraw/zinc/24/69/39/494246939.db2.gz AZGDZRKSJLGFLB-UHFFFAOYSA-N 2 0 351.579 3.373 20 0 FGADRP CCC[NH+]1CCN(c2ccccc2C[NH2+]C[C@H](c2ccco2)N(C)C)CC1 ZINC000088669214 494255901 /nfs/dbraw/zinc/25/59/01/494255901.db2.gz JVOYVSUDCNBPON-OAQYLSRUSA-N 2 0 370.541 3.204 20 0 FGADRP CC(C)C[NH+]1CCC(NC(=O)N[C@@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)CC1 ZINC000054717449 494264195 /nfs/dbraw/zinc/26/41/95/494264195.db2.gz IWFIVOHKZYDBIO-GHTZIAJQSA-N 2 0 372.557 3.242 20 0 FGADRP COc1cccc([C@H]2[C@@H]([NH2+]CCN3CCC(C)CC3)CCN2C2CC2)c1 ZINC000568486873 505707076 /nfs/dbraw/zinc/70/70/76/505707076.db2.gz LXYHQIYKXXFDNI-VXKWHMMOSA-N 2 0 357.542 3.295 20 0 FGADRP O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)N1CCC([NH+]2CCCCC2)CC1 ZINC000043166989 494273112 /nfs/dbraw/zinc/27/31/12/494273112.db2.gz YZQBLUDYLNNCSD-LJQANCHMSA-N 2 0 374.529 3.076 20 0 FGADRP CC[NH+](CC)CCOc1ccccc1NC(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000066158833 494280175 /nfs/dbraw/zinc/28/01/75/494280175.db2.gz GJRPKQMMFCOJTJ-GOSISDBHSA-N 2 0 374.529 3.109 20 0 FGADRP O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000066175951 494284142 /nfs/dbraw/zinc/28/41/42/494284142.db2.gz SBWWPQPOWHXSNI-OAQYLSRUSA-N 2 0 370.541 3.052 20 0 FGADRP CCC[NH+]1CCC(N(C)C(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000066179010 494284827 /nfs/dbraw/zinc/28/48/27/494284827.db2.gz HROYNFPAFIUMHB-SFHVURJKSA-N 2 0 352.567 3.157 20 0 FGADRP C[C@H](CC(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C)[C@@H]1CCC[NH2+]C1 ZINC000577369884 505715065 /nfs/dbraw/zinc/71/50/65/505715065.db2.gz OQOAZLFSLJBSPW-KYJSFNMBSA-N 2 0 351.922 3.085 20 0 FGADRP [NH3+][C@@H]1CCCCC[C@H]1NCc1ccc(N2CCc3ccccc3C2)nc1 ZINC000577382546 505717187 /nfs/dbraw/zinc/71/71/87/505717187.db2.gz XCLMIKOSFVFIDF-NHCUHLMSSA-N 2 0 350.510 3.394 20 0 FGADRP Cc1ccccc1C[NH+]1CCC(NC(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000078946482 494382331 /nfs/dbraw/zinc/38/23/31/494382331.db2.gz RBMSAIGPGPGJHM-UHFFFAOYSA-N 2 0 372.557 3.135 20 0 FGADRP CC[NH+]1CCC(CCNC(=O)NCCCC[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000073677568 494412926 /nfs/dbraw/zinc/41/29/26/494412926.db2.gz FRELWFIUXXYMQO-RTBURBONSA-N 2 0 366.594 3.166 20 0 FGADRP Cc1ccccc1C[C@H](C)[NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000090038805 494432129 /nfs/dbraw/zinc/43/21/29/494432129.db2.gz UCKJGZCUEKJQJW-SFHVURJKSA-N 2 0 353.510 3.007 20 0 FGADRP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@@H]1C)C(=O)NCC(F)(F)F ZINC000079303764 494433572 /nfs/dbraw/zinc/43/35/72/494433572.db2.gz USPFKVJOZNSJTK-GJZGRUSLSA-N 2 0 371.447 3.218 20 0 FGADRP CC[NH+](CC)CCOc1ccc(C(=O)N2CCC[C@H]2C[NH+]2CCCC2)cc1 ZINC000066943801 494441859 /nfs/dbraw/zinc/44/18/59/494441859.db2.gz JTSLSQKEADASAD-FQEVSTJZSA-N 2 0 373.541 3.108 20 0 FGADRP C[NH+](C)CCOc1ccc(NC(=O)c2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000079380029 494442820 /nfs/dbraw/zinc/44/28/20/494442820.db2.gz BYZUCDGHKHHIBS-UHFFFAOYSA-N 2 0 367.493 3.475 20 0 FGADRP Cc1ccccc1C[NH+]1CCC(NC(=O)N(CC[NH+](C)C)CC(C)C)CC1 ZINC000045757034 494457513 /nfs/dbraw/zinc/45/75/13/494457513.db2.gz WVETWZMWMKCGPT-UHFFFAOYSA-N 2 0 374.573 3.189 20 0 FGADRP C[C@H]([NH2+][C@H]1CCO[C@]2(CCSC2)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000090541741 494480175 /nfs/dbraw/zinc/48/01/75/494480175.db2.gz VPPQILBPVBFLST-XKGZKEIXSA-N 2 0 364.555 3.332 20 0 FGADRP CC(C)[N@H+](C)CC1CCN(C(=O)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000079610327 494492196 /nfs/dbraw/zinc/49/21/96/494492196.db2.gz VYEPLRMAIZAUMI-RTBURBONSA-N 2 0 366.594 3.116 20 0 FGADRP CN(c1ccccc1C[N@@H+]1CC[C@H](OC(F)F)C1)C1CC[NH+](C)CC1 ZINC000580298630 505726181 /nfs/dbraw/zinc/72/61/81/505726181.db2.gz XZCFVJGKOJKNAT-KRWDZBQOSA-N 2 0 353.457 3.031 20 0 FGADRP CCCC[N@H+](C)CC1CCN(C(=O)NC[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000079826163 494531271 /nfs/dbraw/zinc/53/12/71/494531271.db2.gz FYDGRJRAWZRPNW-OAQYLSRUSA-N 2 0 374.573 3.443 20 0 FGADRP CC[N@H+](CC(=O)NC1CC[NH+](CC)CC1)[C@H](C)c1cc2ccccc2o1 ZINC000067458268 494545547 /nfs/dbraw/zinc/54/55/47/494545547.db2.gz OYURITIBGUKRTM-MRXNPFEDSA-N 2 0 357.498 3.416 20 0 FGADRP CC(C)[NH+](C)Cc1ccccc1CNC(=O)N[C@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000056786997 494562895 /nfs/dbraw/zinc/56/28/95/494562895.db2.gz IDRVWHOXQKMODR-RTBURBONSA-N 2 0 374.573 3.446 20 0 FGADRP CN(C)[C@@H](CNC(=O)Nc1ccn2ccnc2c1)c1ccccc1Cl ZINC000574244727 505728667 /nfs/dbraw/zinc/72/86/67/505728667.db2.gz YXVSDZLKIAHYSX-INIZCTEOSA-N 2 0 357.845 3.412 20 0 FGADRP CCC[NH+]1CCC(NC(=O)N2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)CC1 ZINC000074710549 494578468 /nfs/dbraw/zinc/57/84/68/494578468.db2.gz FZABBXCGIADOFO-OALUTQOASA-N 2 0 364.578 3.157 20 0 FGADRP CC[C@H]([NH2+]C[C@@H](C)CN1CC[NH+](C)CC1)c1ccc(Br)cc1 ZINC000121070469 494580359 /nfs/dbraw/zinc/58/03/59/494580359.db2.gz KQJXPYDFYLYZRS-QAPCUYQASA-N 2 0 368.363 3.373 20 0 FGADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H]1CCc2c1cccc2Br ZINC000091369105 494588465 /nfs/dbraw/zinc/58/84/65/494588465.db2.gz IBDODXJNWSPUKZ-SUMWQHHRSA-N 2 0 355.320 3.383 20 0 FGADRP C[C@H](Cc1ccc(Cl)cc1)[NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000091375272 494590207 /nfs/dbraw/zinc/59/02/07/494590207.db2.gz QPJXKOURILGSKX-MRXNPFEDSA-N 2 0 373.928 3.352 20 0 FGADRP C[C@H]([NH2+]Cc1ccnc(N2CCCC2)c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000131360847 494594252 /nfs/dbraw/zinc/59/42/52/494594252.db2.gz FTPTYZKIFORVKX-SFHVURJKSA-N 2 0 368.525 3.473 20 0 FGADRP CCCC[N@H+](C)CCNC(=O)N[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000080138788 494608407 /nfs/dbraw/zinc/60/84/07/494608407.db2.gz OPYVYBOUEFQKCA-UYAOXDASSA-N 2 0 360.546 3.071 20 0 FGADRP CC[NH+](CC)Cc1ccccc1CNC(=O)NC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000067685711 494611111 /nfs/dbraw/zinc/61/11/11/494611111.db2.gz UTGHCDDEDUVMTJ-SFHVURJKSA-N 2 0 360.546 3.058 20 0 FGADRP CCCC[N@H+](C)C[C@@H](C)NC(=O)N[C@H](C)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000580321973 505732779 /nfs/dbraw/zinc/73/27/79/505732779.db2.gz KZKQFCMXZHGGRN-SBHAEUEKSA-N 2 0 374.573 3.317 20 0 FGADRP CC[NH+](CC)CCOC1CC[NH+]([C@H]2CCCN(c3ccccc3)C2=O)CC1 ZINC000075007990 494672728 /nfs/dbraw/zinc/67/27/28/494672728.db2.gz WUGGGXZDIBVVST-NRFANRHFSA-N 2 0 373.541 3.005 20 0 FGADRP COc1ccc(C[NH+]2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c(OC)c1 ZINC000092586979 494677990 /nfs/dbraw/zinc/67/79/90/494677990.db2.gz GFWBUIRYPMASGE-CALCHBBNSA-N 2 0 362.514 3.025 20 0 FGADRP [NH3+]Cc1ccc(NC(=O)NCC2([NH+]3CCSCC3)CCCCC2)cc1 ZINC000568606897 505735907 /nfs/dbraw/zinc/73/59/07/505735907.db2.gz UIPBCAHFVHQEHA-UHFFFAOYSA-N 2 0 362.543 3.019 20 0 FGADRP CCC[NH+]1CCN(c2ccccc2C[NH+]2CCC(n3ccnc3)CC2)CC1 ZINC000092648633 494692422 /nfs/dbraw/zinc/69/24/22/494692422.db2.gz XKMNCUNXZYNNKL-UHFFFAOYSA-N 2 0 367.541 3.252 20 0 FGADRP C[C@H]1CC[C@H](C)[NH+]1CCN1CC[NH+](CCCN(C)c2ccccc2)CC1 ZINC000568623845 505738950 /nfs/dbraw/zinc/73/89/50/505738950.db2.gz WJBMBSABDYGZIT-SFTDATJTSA-N 2 0 358.574 3.003 20 0 FGADRP CC1CC[NH+]([C@H](CNC(=O)NC[C@@H]2CCC[N@H+](C)C2)c2ccccc2)CC1 ZINC000108561911 494741107 /nfs/dbraw/zinc/74/11/07/494741107.db2.gz MPQQLANEMOYYSJ-PZJWPPBQSA-N 2 0 372.557 3.101 20 0 FGADRP CC1CC[NH+](Cc2cccc(CNC(=O)NC[C@H]3CCC[N@H+](C)C3)c2)CC1 ZINC000108573501 494742423 /nfs/dbraw/zinc/74/24/23/494742423.db2.gz RUYSKHHQBDZYHN-OAQYLSRUSA-N 2 0 372.557 3.060 20 0 FGADRP C[C@@H]1CCC[C@H](C[NH+]2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)C1 ZINC000092797396 494754288 /nfs/dbraw/zinc/75/42/88/494754288.db2.gz VHBOASLCSABTLX-MSOLQXFVSA-N 2 0 351.579 3.229 20 0 FGADRP CC(C)[NH+](CCNC(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1)C(C)C ZINC000047683009 494759077 /nfs/dbraw/zinc/75/90/77/494759077.db2.gz PLEBFIBKXZHPHU-SFHVURJKSA-N 2 0 364.534 3.225 20 0 FGADRP CCC[C@H](C)NC(=O)[C@@H](C)[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821457 494763028 /nfs/dbraw/zinc/76/30/28/494763028.db2.gz QNWRXXFIHCVTER-ZWKOTPCHSA-N 2 0 360.546 3.313 20 0 FGADRP C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)CC(=O)NCCC(C)(C)C ZINC000092821048 494764186 /nfs/dbraw/zinc/76/41/86/494764186.db2.gz ZFYXOXDHVUWYCT-UHFFFAOYSA-N 2 0 360.546 3.172 20 0 FGADRP C[C@@H]1C[C@H](C)CN(C(=O)C[N@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000092821319 494764622 /nfs/dbraw/zinc/76/46/22/494764622.db2.gz MHVPGSGRJRPMAO-KDURUIRLSA-N 2 0 372.557 3.124 20 0 FGADRP CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000132050854 494807974 /nfs/dbraw/zinc/80/79/74/494807974.db2.gz TYUTXEOLOMKLRP-GOSISDBHSA-N 2 0 352.567 3.059 20 0 FGADRP COc1cc(C[N@H+](C)CC2CC[NH+](C)CC2)ccc1OCC(F)(F)F ZINC000093088935 494825001 /nfs/dbraw/zinc/82/50/01/494825001.db2.gz SWFMLKOXHHUDAT-UHFFFAOYSA-N 2 0 360.420 3.410 20 0 FGADRP COc1ccc([C@@H](C)[NH2+]C[C@@H](C(C)C)N2CC[NH+](C)CC2)cc1Cl ZINC000132447329 494875990 /nfs/dbraw/zinc/87/59/90/494875990.db2.gz ABFPXWFVORPUDX-QAPCUYQASA-N 2 0 353.938 3.271 20 0 FGADRP CSc1ccc([C@H](C)[NH2+]C[C@@H](C(C)C)N2CC[NH+](C)CC2)cc1F ZINC000132457787 494877737 /nfs/dbraw/zinc/87/77/37/494877737.db2.gz DRSXHDPRFBOKEC-YJBOKZPZSA-N 2 0 353.551 3.470 20 0 FGADRP C[NH+](C)CCN1CCC([NH2+][C@H]2CCCOc3cc4c(cc32)CCC4)CC1 ZINC000121869827 494879204 /nfs/dbraw/zinc/87/92/04/494879204.db2.gz WWZWJLJASNAEMC-NRFANRHFSA-N 2 0 357.542 3.005 20 0 FGADRP Cc1cc(Cl)cc2c1OCCC[C@@H]2[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000121871047 494879523 /nfs/dbraw/zinc/87/95/23/494879523.db2.gz VRZCBKJRAVITAC-IBGZPJMESA-N 2 0 365.949 3.478 20 0 FGADRP CC[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)c1cc(C)ccc1OC ZINC000093372501 494881948 /nfs/dbraw/zinc/88/19/48/494881948.db2.gz IRWVQNMOBJOQLY-HXUWFJFHSA-N 2 0 368.525 3.391 20 0 FGADRP Cc1cc2ncc([C@@H](C)[NH2+]Cc3ccc(OCC[NH+](C)C)cc3)c(C)n2n1 ZINC000093399080 494885749 /nfs/dbraw/zinc/88/57/49/494885749.db2.gz BITMMMJGLHIRCE-MRXNPFEDSA-N 2 0 367.497 3.137 20 0 FGADRP CC[C@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)c1cc(C)ccc1OC ZINC000093398596 494886021 /nfs/dbraw/zinc/88/60/21/494886021.db2.gz CAVKNSRYMVIBOH-FQEVSTJZSA-N 2 0 368.525 3.391 20 0 FGADRP Fc1ccc(OCCC[NH+]2CCC(CC[NH+]3CCOCC3)CC2)cc1 ZINC000109545189 494888523 /nfs/dbraw/zinc/88/85/23/494888523.db2.gz UNCWKSIQDDLIRO-UHFFFAOYSA-N 2 0 350.478 3.029 20 0 FGADRP CCC[NH+]1CCN(c2ccccc2C[N@H+](C)[C@H]2CC[NH+](CC)C[C@@H]2C)CC1 ZINC000093639081 494906206 /nfs/dbraw/zinc/90/62/06/494906206.db2.gz XQWFPMUAOVTIRZ-UNMCSNQZSA-N 3 0 372.601 3.381 20 0 FGADRP COc1cc(C)c(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)cc1OC ZINC000093735098 494914671 /nfs/dbraw/zinc/91/46/71/494914671.db2.gz ZZMRDUXKGOJKGC-UHFFFAOYSA-N 2 0 362.514 3.089 20 0 FGADRP COc1cc2c(c(C[NH+]3CCC(OCC[NH+]4CCCC4)CC3)c1)O[C@@H](C)C2 ZINC000093734917 494915383 /nfs/dbraw/zinc/91/53/83/494915383.db2.gz BHLHYFWFSYUICI-KRWDZBQOSA-N 2 0 374.525 3.095 20 0 FGADRP CCC[NH+]1CCC([N@H+](C)CCCCCn2nnc(-c3ccccc3)n2)CC1 ZINC000109787867 494917832 /nfs/dbraw/zinc/91/78/32/494917832.db2.gz YALNQAPQTCMSTR-UHFFFAOYSA-N 2 0 370.545 3.317 20 0 FGADRP COCC[N@H+](C)CCCC1CC[NH+](Cc2cnn(C(C)(C)C)c2)CC1 ZINC000093769494 494918742 /nfs/dbraw/zinc/91/87/42/494918742.db2.gz NBELAEZCDNGQRO-UHFFFAOYSA-N 2 0 350.551 3.209 20 0 FGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+][C@@H](C)C2CCOCC2)CC1 ZINC000127298301 494923735 /nfs/dbraw/zinc/92/37/35/494923735.db2.gz UQRIQBUNJFJPCR-IRXDYDNUSA-N 2 0 363.521 3.433 20 0 FGADRP CC1CC[NH+](CCCNCc2ccccc2N(C)C2CC[NH+](C)CC2)CC1 ZINC000132792869 494925373 /nfs/dbraw/zinc/92/53/73/494925373.db2.gz UNGMDEZRALQLJI-UHFFFAOYSA-N 2 0 372.601 3.429 20 0 FGADRP C[NH+](C)CC[C@H](NC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)C(C)(C)C ZINC000127369763 494934653 /nfs/dbraw/zinc/93/46/53/494934653.db2.gz LMJAKCSICAKDOB-NEWSRXKRSA-N 2 0 364.578 3.011 20 0 FGADRP Cc1cc(Cl)cc2c1OCCC[C@H]2[NH2+]CC1CC[NH+](CCO)CC1 ZINC000122297015 494953742 /nfs/dbraw/zinc/95/37/42/494953742.db2.gz ZNROKXDAKXZRQV-GOSISDBHSA-N 2 0 352.906 3.156 20 0 FGADRP CN(c1ccccc1CN1CCC([NH+]2CCCC2)CC1)C1CC[NH+](C)CC1 ZINC000127743119 494991128 /nfs/dbraw/zinc/99/11/28/494991128.db2.gz KJIPTYYAWYHUBG-UHFFFAOYSA-N 2 0 370.585 3.277 20 0 FGADRP C[N@H+](Cc1ccccc1NC(=O)C[C@@H]1CSCC[NH2+]1)C1CCCCC1 ZINC000133354501 495004602 /nfs/dbraw/zinc/00/46/02/495004602.db2.gz ZPTZXGXVNIJFNJ-QGZVFWFLSA-N 2 0 361.555 3.485 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H](NCCC[NH+]2CCc3ccccc3C2)[C@H](C)C1 ZINC000122774002 495029109 /nfs/dbraw/zinc/02/91/09/495029109.db2.gz YDAXFPWPTPOECV-OFNKIYASSA-N 2 0 373.585 3.161 20 0 FGADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+][C@@H]1CCN(c2ccccc2OC(F)F)C1 ZINC000128008297 495030898 /nfs/dbraw/zinc/03/08/98/495030898.db2.gz ZZEAKHHGVUMLDS-FPCVCCKLSA-N 2 0 353.457 3.185 20 0 FGADRP COc1ccc([C@H](C)[NH2+]CCC[N@@H+]2CCC[C@H](C(N)=O)C2)c2ccccc12 ZINC000128015825 495031487 /nfs/dbraw/zinc/03/14/87/495031487.db2.gz ZTBWQZMULPMCNV-IRXDYDNUSA-N 2 0 369.509 3.086 20 0 FGADRP CC[NH+](CC)Cc1ccccc1CNC(=O)N(C)[C@@H]1CC[N@H+](CC)C[C@H]1C ZINC000128079454 495041413 /nfs/dbraw/zinc/04/14/13/495041413.db2.gz JPBJKEZFKOSGCF-WIYYLYMNSA-N 2 0 374.573 3.400 20 0 FGADRP CC(C)C[NH+]1CCC(NC(=O)NCCCCC[NH+]2CCCCC2)CC1 ZINC000111463287 495077997 /nfs/dbraw/zinc/07/79/97/495077997.db2.gz FRSILJPRDSVESL-UHFFFAOYSA-N 2 0 352.567 3.062 20 0 FGADRP Cc1ccccc1CN(C)C(=O)[C@@H](C)[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123123913 495084122 /nfs/dbraw/zinc/08/41/22/495084122.db2.gz HTVXPCXVTIHYPN-LJQANCHMSA-N 2 0 359.558 3.396 20 0 FGADRP C[C@@H](CCc1ccc(OC(F)F)cc1)[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000128431237 495095827 /nfs/dbraw/zinc/09/58/27/495095827.db2.gz AZFCBVJKKDVQKU-KRWDZBQOSA-N 2 0 369.500 3.226 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N1CCC([NH2+]C(C)C)CC1)c1ccsc1 ZINC000111816300 495115396 /nfs/dbraw/zinc/11/53/96/495115396.db2.gz FXALRZQCUUAMPK-GOSISDBHSA-N 2 0 366.575 3.303 20 0 FGADRP C[C@@H]1C[C@H]1[N@@H+]1CCN(C(=O)c2ccc(C[NH+]3CCCC3)cc2)C[C@@H](C)C1 ZINC000571590876 505767750 /nfs/dbraw/zinc/76/77/50/505767750.db2.gz CVIWOWHGNKHDEY-WAOWUJCRSA-N 2 0 355.526 3.085 20 0 FGADRP CC[NH+](CC)[C@H](C)CNC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000103305079 495216838 /nfs/dbraw/zinc/21/68/38/495216838.db2.gz KRSCOAHSVDJASR-MOPGFXCFSA-N 2 0 352.567 3.014 20 0 FGADRP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CCC[C@H](C(F)(F)F)C3)cn2)CC1 ZINC000129314133 495227152 /nfs/dbraw/zinc/22/71/52/495227152.db2.gz QTOXHXLAPRQRRY-DLBZAZTESA-N 2 0 370.463 3.434 20 0 FGADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)Nc1ccccc1-c1cccs1 ZINC000119803579 495245081 /nfs/dbraw/zinc/24/50/81/495245081.db2.gz TXWYUQKCBWEDFG-UHFFFAOYSA-N 2 0 360.527 3.372 20 0 FGADRP O=C(C1CC[NH+](CCC[NH+]2CCCC2)CC1)N(Cc1ccccc1)C1CC1 ZINC000119986835 495282997 /nfs/dbraw/zinc/28/29/97/495282997.db2.gz KRLSBEXGTZHMEH-UHFFFAOYSA-N 2 0 369.553 3.376 20 0 FGADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000105480477 495365682 /nfs/dbraw/zinc/36/56/82/495365682.db2.gz AKQAHMJMLNGMGM-CJNGLKHVSA-N 2 0 352.404 3.321 20 0 FGADRP C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]CC(C)(C)C[NH+](C)C ZINC000120422691 495374031 /nfs/dbraw/zinc/37/40/31/495374031.db2.gz RSRLTMVMJSBNCM-ZDUSSCGKSA-N 2 0 370.335 3.344 20 0 FGADRP CCC(CC)[C@H](CNC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1)[NH+]1CCCC1 ZINC000136688089 495395133 /nfs/dbraw/zinc/39/51/33/495395133.db2.gz JYBYHTBUWHCISD-AQNXPRMDSA-N 2 0 364.578 3.013 20 0 FGADRP O=C(NCc1cccc(C[NH+]2CCCC2)c1)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000106528718 495463101 /nfs/dbraw/zinc/46/31/01/495463101.db2.gz BFTPHCGZZAQZKM-HXUWFJFHSA-N 2 0 370.541 3.099 20 0 FGADRP CC[NH+](CC)CCOc1ccc(C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)cc1 ZINC000106789524 495496729 /nfs/dbraw/zinc/49/67/29/495496729.db2.gz IJLRQKOTLASMPU-IBGZPJMESA-N 2 0 373.541 3.154 20 0 FGADRP COCCOc1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](C(C)C)C2)cc1OC ZINC000125839822 495506655 /nfs/dbraw/zinc/50/66/55/495506655.db2.gz FHXRWMNIMCRFGO-ZWKOTPCHSA-N 2 0 364.530 3.491 20 0 FGADRP CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](C(C)C)C2)cc1 ZINC000125882682 495513717 /nfs/dbraw/zinc/51/37/17/495513717.db2.gz SZYKVTYWHKUQAT-IAGOWNOFSA-N 2 0 367.559 3.219 20 0 FGADRP C([NH2+]C1CC[NH+](C2CCCCC2)CC1)C1(N2CCOCC2)CCCCC1 ZINC000154154483 495530204 /nfs/dbraw/zinc/53/02/04/495530204.db2.gz JHFIMAWEZKRSSN-UHFFFAOYSA-N 2 0 363.590 3.408 20 0 FGADRP CCOc1ccc([C@H](C)[NH2+]Cc2cccnc2N2CC[NH+](C)CC2)cc1 ZINC000158534507 495532099 /nfs/dbraw/zinc/53/20/99/495532099.db2.gz GZVPDYYNKSAJOM-KRWDZBQOSA-N 2 0 354.498 3.083 20 0 FGADRP CC[N@H+](CCNC(=O)N(C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1)C1CC1 ZINC000158544538 495535059 /nfs/dbraw/zinc/53/50/59/495535059.db2.gz HZVIITUKNYLBMS-WIYYLYMNSA-N 2 0 372.557 3.165 20 0 FGADRP CC1CC[NH+](Cc2cccc(CNC(=O)N(C)CC[N@H+](C)C3CC3)c2)CC1 ZINC000185336144 495536999 /nfs/dbraw/zinc/53/69/99/495536999.db2.gz QPPRGCHGOSKUGW-UHFFFAOYSA-N 2 0 372.557 3.154 20 0 FGADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000176191305 495538733 /nfs/dbraw/zinc/53/87/33/495538733.db2.gz IVROYGJGMWHNDO-OAQYLSRUSA-N 2 0 372.557 3.167 20 0 FGADRP CN(CCC[NH+](C)C)C(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000185360417 495548626 /nfs/dbraw/zinc/54/86/26/495548626.db2.gz DJUWNVHALXZGKX-GOSISDBHSA-N 2 0 366.937 3.070 20 0 FGADRP CCn1nccc1CC[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000580574519 505789298 /nfs/dbraw/zinc/78/92/98/505789298.db2.gz YBUYVNZVRBXHFM-QFIPXVFZSA-N 2 0 352.526 3.434 20 0 FGADRP CCCC[NH+]1CCC(NC(=O)NCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000158666267 495561836 /nfs/dbraw/zinc/56/18/36/495561836.db2.gz MFABSYLYHKSFTH-KDURUIRLSA-N 2 0 366.594 3.308 20 0 FGADRP C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]CCC[NH+]1CCCC1 ZINC000170683006 495563110 /nfs/dbraw/zinc/56/31/10/495563110.db2.gz CGKDHXCSNQOPLD-CQSZACIVSA-N 2 0 368.319 3.242 20 0 FGADRP CC[NH+]1CCN(CCC[NH2+][C@@H](C)c2nc(-c3ccccc3)cs2)CC1 ZINC000154318331 495578651 /nfs/dbraw/zinc/57/86/51/495578651.db2.gz OICYVZXDNDLCBJ-KRWDZBQOSA-N 2 0 358.555 3.488 20 0 FGADRP CC[NH+]1CCN(CCC[NH2+][C@@H](C)c2ccc(OC(F)(F)F)cc2)CC1 ZINC000154326595 495582116 /nfs/dbraw/zinc/58/21/16/495582116.db2.gz QCZNUXWJBVBMAV-HNNXBMFYSA-N 2 0 359.436 3.263 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)NC1CCC(C[NH+](C)C)CC1)c1ccco1 ZINC000158772053 495586026 /nfs/dbraw/zinc/58/60/26/495586026.db2.gz ATGTVCZOBCVQDW-ABHNRTSZSA-N 2 0 364.534 3.082 20 0 FGADRP C[C@@H]([NH2+]CCCC[NH+]1CCN(C)CC1)c1ccccc1Br ZINC000154360851 495592779 /nfs/dbraw/zinc/59/27/79/495592779.db2.gz HATOLEAKYXJNJB-OAHLLOKOSA-N 2 0 354.336 3.127 20 0 FGADRP CCOC[C@@H]1CC[N@H+](Cc2cccc(C[NH+]3CC[C@H](COCC)C3)c2)C1 ZINC000176332396 495604682 /nfs/dbraw/zinc/60/46/82/495604682.db2.gz HCXRXZZUXUSDQW-SZPZYZBQSA-N 2 0 360.542 3.403 20 0 FGADRP Cc1ccc(F)c(N2CCC[C@H](N3CC[C@@H]4[C@H](CCC[N@H+]4C)C3)C2=O)c1 ZINC000158884087 495608971 /nfs/dbraw/zinc/60/89/71/495608971.db2.gz AYBWBLWLNJGIGZ-QRQLOZEOSA-N 2 0 359.489 3.046 20 0 FGADRP C[C@@H]([NH2+]CCCC[NH+]1CCN(C)CC1)c1nc(-c2ccccc2)cs1 ZINC000154429125 495613515 /nfs/dbraw/zinc/61/35/15/495613515.db2.gz ZASLKYHBMBNGTM-QGZVFWFLSA-N 2 0 358.555 3.488 20 0 FGADRP CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)CCCc1ccccc1Cl ZINC000571699744 505793540 /nfs/dbraw/zinc/79/35/40/505793540.db2.gz ZZIKZNVTZAHGAT-UHFFFAOYSA-N 2 0 365.949 3.147 20 0 FGADRP C[C@H](C[NH+]1CCCCCC1)NC(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000185583315 495631177 /nfs/dbraw/zinc/63/11/77/495631177.db2.gz FUIMJRCDCHAWMP-GOSISDBHSA-N 2 0 364.578 3.347 20 0 FGADRP COc1ccc(Cl)cc1NC(=O)CC[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000150818381 495644723 /nfs/dbraw/zinc/64/47/23/495644723.db2.gz WCSQLALTYVAQOB-HNNXBMFYSA-N 2 0 365.905 3.095 20 0 FGADRP CN(c1ccccc1C[NH2+]C[C@H](O)c1ccsc1)C1CC[NH+](C)CC1 ZINC000150965561 495696480 /nfs/dbraw/zinc/69/64/80/495696480.db2.gz SGCPOAYVSNARDM-FQEVSTJZSA-N 2 0 359.539 3.102 20 0 FGADRP CCC[NH+]1CCC(N(C)C(=O)NCCC[N@H+](C)C2CCCCC2)CC1 ZINC000171038783 495699229 /nfs/dbraw/zinc/69/92/29/495699229.db2.gz ZKJXSZSBNBPQRH-UHFFFAOYSA-N 2 0 352.567 3.157 20 0 FGADRP CC[NH+](CC)CCCNC(=O)C1CC[NH+]([C@H](C)c2ccccc2F)CC1 ZINC000151001279 495708364 /nfs/dbraw/zinc/70/83/64/495708364.db2.gz GBDUSEXJUJMUSQ-QGZVFWFLSA-N 2 0 363.521 3.447 20 0 FGADRP CC[N@H+](C)C[C@H]1CCN(C[C@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000173883901 495731125 /nfs/dbraw/zinc/73/11/25/495731125.db2.gz SKELIQBRAYTHSQ-KGLIPLIRSA-N 2 0 361.313 3.007 20 0 FGADRP C[NH+]1CCN(CCC(C)(C)[NH2+]Cc2cccc(-c3cccnc3)c2)CC1 ZINC000185887745 495766117 /nfs/dbraw/zinc/76/61/17/495766117.db2.gz RQZIAABFZBJNFD-UHFFFAOYSA-N 2 0 352.526 3.254 20 0 FGADRP Cc1c([C@H](C)[NH2+][C@@H](C)CN2CC[NH+](C)CC2)cnn1-c1cc(C)ccc1C ZINC000154902104 495767263 /nfs/dbraw/zinc/76/72/63/495767263.db2.gz RPQKURMFAMCAJC-OALUTQOASA-N 2 0 369.557 3.084 20 0 FGADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1ccc(SCC(F)F)cc1 ZINC000154902538 495767334 /nfs/dbraw/zinc/76/73/34/495767334.db2.gz NIACRHOZXNLLHQ-CABCVRRESA-N 2 0 357.514 3.330 20 0 FGADRP C[C@H]1CCCC[C@@H]1C[NH+]1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000183015202 495799735 /nfs/dbraw/zinc/79/97/35/495799735.db2.gz XHJDSQWXMGUHKO-PKOBYXMFSA-N 2 0 351.579 3.229 20 0 FGADRP Cc1nc(-c2cc([C@@H](C)[NH2+][C@@H](C)CN3CC[NH+](C)CC3)cs2)cs1 ZINC000155001402 495800751 /nfs/dbraw/zinc/80/07/51/495800751.db2.gz KFNMIBADUVOIKJ-UONOGXRCSA-N 2 0 364.584 3.467 20 0 FGADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](C)[C@@H](C)Oc1ccc(Cl)cc1Cl ZINC000155010374 495803045 /nfs/dbraw/zinc/80/30/45/495803045.db2.gz OPCFYIGCIXEPKY-QLFBSQMISA-N 2 0 374.356 3.375 20 0 FGADRP C[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1)c1cccc(F)c1 ZINC000174069633 495810196 /nfs/dbraw/zinc/81/01/96/495810196.db2.gz FQFIRSPCZKVCGR-JXFKEZNVSA-N 2 0 369.484 3.374 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)N1CC[C@H](C[NH+]2CCCC2)C1)c1ccccc1 ZINC000174118071 495826197 /nfs/dbraw/zinc/82/61/97/495826197.db2.gz PSCVQANIELDCDU-CTNGQTDRSA-N 2 0 372.557 3.197 20 0 FGADRP C[C@@H]([NH2+]Cc1cccnc1-n1cccn1)c1cccc(OCC[NH+](C)C)c1 ZINC000151449048 495842659 /nfs/dbraw/zinc/84/26/59/495842659.db2.gz IHIDXCCWCYLGAN-QGZVFWFLSA-N 2 0 365.481 3.059 20 0 FGADRP COc1ccc(C[NH2+][C@@H](C)c2ccc(OCC[NH+](C)C)cc2)cc1OC ZINC000151569247 495880950 /nfs/dbraw/zinc/88/09/50/495880950.db2.gz QHLZZCFMZBJXRV-INIZCTEOSA-N 2 0 358.482 3.495 20 0 FGADRP CN(C)[C@H](C[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)c1ccco1 ZINC000180157024 495883844 /nfs/dbraw/zinc/88/38/44/495883844.db2.gz KLENGEUVPGBRHN-UWHLTILDSA-N 2 0 353.510 3.383 20 0 FGADRP O=C(C[NH2+]C1CCN(CCC(F)(F)F)CC1)Nc1ccc(Cl)cc1 ZINC000180160362 495885058 /nfs/dbraw/zinc/88/50/58/495885058.db2.gz XEURYEWGOHROBP-UHFFFAOYSA-N 2 0 363.811 3.285 20 0 FGADRP Cc1ccc(F)cc1C[NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000180228102 495915468 /nfs/dbraw/zinc/91/54/68/495915468.db2.gz KDSSJMJVHFXBGY-UHFFFAOYSA-N 2 0 369.484 3.250 20 0 FGADRP C[C@H](C[NH2+]CC(c1ccccc1)c1ccccc1)CN1CC[NH+](C)CC1 ZINC000180233218 495917744 /nfs/dbraw/zinc/91/77/44/495917744.db2.gz KJURNVXIFWMEFL-HXUWFJFHSA-N 2 0 351.538 3.292 20 0 FGADRP COc1ccccc1-c1ccc(C[NH2+][C@H](C)CN2CC[NH+](C)CC2)cc1 ZINC000174367866 495929776 /nfs/dbraw/zinc/92/97/76/495929776.db2.gz XTWVXZRPXMCBRQ-GOSISDBHSA-N 2 0 353.510 3.088 20 0 FGADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)NCc2ccccc2C[NH+]2CCCC2)C1 ZINC000171598383 495943404 /nfs/dbraw/zinc/94/34/04/495943404.db2.gz YIDMRTXHPDSMJR-LJQANCHMSA-N 2 0 372.557 3.202 20 0 FGADRP C[N@H+](Cc1ccco1)Cc1ccccc1C[NH2+]Cc1cccc(C(N)=O)c1 ZINC000174452356 495964327 /nfs/dbraw/zinc/96/43/27/495964327.db2.gz BRRVYRUVYROVHD-UHFFFAOYSA-N 2 0 363.461 3.300 20 0 FGADRP C[C@H]([NH2+]Cc1ccc(C[S@@](C)=O)cc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000571785105 505814817 /nfs/dbraw/zinc/81/48/17/505814817.db2.gz AHRMQUFYAFABFC-MRDQGFSESA-N 2 0 374.550 3.356 20 0 FGADRP C[C@@H]([NH2+]CCCN1CCCCCC1=O)c1cccc(OCC[NH+](C)C)c1 ZINC000155502811 495976256 /nfs/dbraw/zinc/97/62/56/495976256.db2.gz AUQSSFJYRPJAQL-GOSISDBHSA-N 2 0 361.530 3.070 20 0 FGADRP COC(=O)COc1ccccc1[C@H](C)[NH2+]Cc1ccc(F)c(C[NH+](C)C)c1 ZINC000183607878 496046252 /nfs/dbraw/zinc/04/62/52/496046252.db2.gz CBOWKPGCFCPIHH-HNNXBMFYSA-N 2 0 374.456 3.290 20 0 FGADRP Cc1nc(C(C)(C)C)sc1[C@@H](C)[NH2+][C@H](C)CCN1CC[NH+](C)CC1 ZINC000186577212 496053792 /nfs/dbraw/zinc/05/37/92/496053792.db2.gz IONALTSOGJUPDC-HUUCEWRRSA-N 2 0 352.592 3.426 20 0 FGADRP CC(C)[NH+]1CCC(C(=O)NCC(C)(C)[N@@H+]2CCc3ccccc3C2)CC1 ZINC000174770191 496099403 /nfs/dbraw/zinc/09/94/03/496099403.db2.gz MSDKEIXSZROPHK-UHFFFAOYSA-N 2 0 357.542 3.060 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)CC(=O)Nc2cc(C)c(Cl)cc2OC)[C@H](C)C1 ZINC000174781156 496104381 /nfs/dbraw/zinc/10/43/81/496104381.db2.gz KDOCJDKORXASOS-PBHICJAKSA-N 2 0 367.921 3.258 20 0 FGADRP C[NH+](C)[C@H](CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)c1cccc(F)c1 ZINC000177600650 496128109 /nfs/dbraw/zinc/12/81/09/496128109.db2.gz DUAQIQZILNMYBO-FXAWDEMLSA-N 2 0 361.505 3.199 20 0 FGADRP O=C(c1ccccc1Cl)N1CCC([NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000152366784 496128837 /nfs/dbraw/zinc/12/88/37/496128837.db2.gz BGZGBLQRLWQSSJ-HNNXBMFYSA-N 2 0 361.917 3.019 20 0 FGADRP Cc1ccc([C@@H](CNC(=O)c2cccc(C[NH+](C)C)c2)[NH+]2CCCC2)o1 ZINC000156107220 496159595 /nfs/dbraw/zinc/15/95/95/496159595.db2.gz KNIGKWVKDLWZRH-LJQANCHMSA-N 2 0 355.482 3.217 20 0 FGADRP C[N@H+](CCC(=O)Nc1cccc(Br)c1)C[C@@H]1CCC[NH+](C)C1 ZINC000152491111 496167179 /nfs/dbraw/zinc/16/71/79/496167179.db2.gz PJNIAEGLINZDML-CQSZACIVSA-N 2 0 368.319 3.051 20 0 FGADRP C[N@H+](C[C@H](O)COc1c(Cl)cccc1Cl)C[C@@H]1CCC[NH+](C)C1 ZINC000152502342 496170667 /nfs/dbraw/zinc/17/06/67/496170667.db2.gz QZEIAVZXWDWHOD-KGLIPLIRSA-N 2 0 361.313 3.007 20 0 FGADRP O[C@@H](Cc1ccc(C(F)(F)F)cc1)C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000156155011 496172893 /nfs/dbraw/zinc/17/28/93/496172893.db2.gz RXMQAMNPKVQNAH-IBGZPJMESA-N 2 0 370.459 3.417 20 0 FGADRP C[NH+](C)CC[C@H](NC(=O)NC1CC[NH+](CC2CCCC2)CC1)C(C)(C)C ZINC000172119047 496173211 /nfs/dbraw/zinc/17/32/11/496173211.db2.gz LNYSDSUHVHWFBI-IBGZPJMESA-N 2 0 366.594 3.307 20 0 FGADRP CCC[N@H+](C)C[C@@H]1CCN([C@@H](C)C(=O)Nc2ccc(N3CCCC3)cc2)C1 ZINC000174943093 496174645 /nfs/dbraw/zinc/17/46/45/496174645.db2.gz YDHVPAXPQGZZKZ-OALUTQOASA-N 2 0 372.557 3.278 20 0 FGADRP CC(C)N1CCC[C@@H]([NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H](C)C2)C1=O ZINC000174993506 496198279 /nfs/dbraw/zinc/19/82/79/496198279.db2.gz LFTACOGCGRXCOS-WIYYLYMNSA-N 2 0 357.542 3.408 20 0 FGADRP C[NH+](C)CCC1CCN(C(=O)NCCCCC[NH+]2CCCCC2)CC1 ZINC000161606573 496207526 /nfs/dbraw/zinc/20/75/26/496207526.db2.gz GHEQKXJGXYHCTQ-UHFFFAOYSA-N 2 0 352.567 3.016 20 0 FGADRP CCOc1c(OC)cc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)cc1OC ZINC000152688137 496226000 /nfs/dbraw/zinc/22/60/00/496226000.db2.gz DKZQARKDFYBXNF-UHFFFAOYSA-N 2 0 362.514 3.410 20 0 FGADRP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000181049161 496252767 /nfs/dbraw/zinc/25/27/67/496252767.db2.gz SERXRBGJAHUBAR-LJQANCHMSA-N 2 0 374.573 3.270 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@H](O)c2ccccc2Cl)[C@H](C)C1 ZINC000181101743 496270647 /nfs/dbraw/zinc/27/06/47/496270647.db2.gz FILMHHAJJCRGSP-MNEFBYGVSA-N 2 0 354.922 3.100 20 0 FGADRP O[C@@H](C[NH+]1CCC(OCC[NH+]2CCCC2)CC1)c1ccc(F)cc1Cl ZINC000187106047 496295970 /nfs/dbraw/zinc/29/59/70/496295970.db2.gz YZJYEXJTZKFWLV-IBGZPJMESA-N 2 0 370.896 3.089 20 0 FGADRP C[C@H]1C[C@@H](NC(=O)CC2(C[NH3+])CCCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000184233715 496296815 /nfs/dbraw/zinc/29/68/15/496296815.db2.gz FCLZUHWALUWPDL-ICSRJNTNSA-N 2 0 357.542 3.455 20 0 FGADRP COc1ccc2c(c1)[C@H]([NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)CCCO2 ZINC000178034077 496296871 /nfs/dbraw/zinc/29/68/71/496296871.db2.gz ARXQLAJSRRDHOK-FUHIMQAGSA-N 2 0 362.514 3.388 20 0 FGADRP C[C@H]1C[C@@H]([NH2+]CCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CN1Cc1ccccc1 ZINC000178034919 496297969 /nfs/dbraw/zinc/29/79/69/496297969.db2.gz QBSRLDBTBSABAD-ITTUMRLJSA-N 2 0 359.558 3.128 20 0 FGADRP C[NH+](C)[C@@H](CNC(=O)N1CCC[N@@H+](C2CCCC2)CC1)c1cccs1 ZINC000172507684 496321237 /nfs/dbraw/zinc/32/12/37/496321237.db2.gz XKIWZZPVVVJHCI-KRWDZBQOSA-N 2 0 364.559 3.011 20 0 FGADRP CC[NH+](CC)Cc1ccccc1CNC(=O)NC[C@@H]1CC[N@H+](CC(C)C)C1 ZINC000156734765 496321551 /nfs/dbraw/zinc/32/15/51/496321551.db2.gz KTYWJNGOBWTCBB-IBGZPJMESA-N 2 0 374.573 3.306 20 0 FGADRP C[NH+](C)[C@H](CNC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1)c1cccs1 ZINC000172506981 496321543 /nfs/dbraw/zinc/32/15/43/496321543.db2.gz URCCXQVLTCPMAV-DLBZAZTESA-N 2 0 364.559 3.011 20 0 FGADRP C[C@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000162385152 496346368 /nfs/dbraw/zinc/34/63/68/496346368.db2.gz JVJACXDRWUKBBQ-QFBILLFUSA-N 2 0 361.555 3.342 20 0 FGADRP CCc1ccc([C@H](CNC(=O)NC2CCC(C[NH+](C)C)CC2)[NH+](C)C)cc1 ZINC000156900255 496359542 /nfs/dbraw/zinc/35/95/42/496359542.db2.gz XPCAWXYNIATHMP-MNLRITNHSA-N 2 0 374.573 3.271 20 0 FGADRP C[NH+]1CCN(CCC[NH2+][C@@H](Cc2cccc(F)c2)c2cccc(F)c2)CC1 ZINC000162487875 496361084 /nfs/dbraw/zinc/36/10/84/496361084.db2.gz OKMZJLZNODMGKP-QFIPXVFZSA-N 2 0 373.491 3.476 20 0 FGADRP C[C@@H]([NH2+]CCCN1CC[NH+](C)CC1)c1cc(Cl)ccc1OC(F)F ZINC000162553669 496373113 /nfs/dbraw/zinc/37/31/13/496373113.db2.gz BAMFBTBEAHMUBR-CYBMUJFWSA-N 2 0 361.864 3.230 20 0 FGADRP C[NH+]1CCN(CCC[NH2+][C@@H](CCc2ccccc2)Cc2ccccc2)CC1 ZINC000162556008 496373408 /nfs/dbraw/zinc/37/34/08/496373408.db2.gz IAPOGTWSNANXHV-DEOSSOPVSA-N 2 0 365.565 3.458 20 0 FGADRP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1ccc(OC(C)(C)C)cc1 ZINC000157016000 496386302 /nfs/dbraw/zinc/38/63/02/496386302.db2.gz GEJAIPYAKWGOEP-AEFFLSMTSA-N 2 0 361.530 3.102 20 0 FGADRP CC[C@@H]([NH2+]CCCN1CC[NH+](C)CC1)c1cc(F)cc(Br)c1 ZINC000181418636 496387269 /nfs/dbraw/zinc/38/72/69/496387269.db2.gz SWDXBVPTKNBRHQ-QGZVFWFLSA-N 2 0 372.326 3.266 20 0 FGADRP C[C@H](Cn1cc(Br)cn1)[NH2+]CCC[N@H+](C)Cc1ccccc1 ZINC000162746847 496407154 /nfs/dbraw/zinc/40/71/54/496407154.db2.gz GIHVYWUMLBBVSR-OAHLLOKOSA-N 2 0 365.319 3.146 20 0 FGADRP O=C(CC[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1)NCc1ccccc1Cl ZINC000157116079 496409176 /nfs/dbraw/zinc/40/91/76/496409176.db2.gz DUQZNLLPEINWNJ-SFHVURJKSA-N 2 0 363.933 3.297 20 0 FGADRP COc1ccc(C[C@@H](C)C[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)cc1F ZINC000187403433 496427144 /nfs/dbraw/zinc/42/71/44/496427144.db2.gz SKIWHUGTEWPSCU-AEFFLSMTSA-N 2 0 364.505 3.103 20 0 FGADRP CC[N@H+](Cc1ccc(C(=O)N2CCC[C@H]3C[NH+](C)CC[C@@H]32)cc1)C1CC1 ZINC000157223830 496432208 /nfs/dbraw/zinc/43/22/08/496432208.db2.gz JWRQXLKRUBQDHF-FPOVZHCZSA-N 2 0 355.526 3.227 20 0 FGADRP c1cncc(CN2CCC([NH2+]Cc3ccc(C[NH+]4CCCC4)cc3)CC2)c1 ZINC000162943418 496437999 /nfs/dbraw/zinc/43/79/99/496437999.db2.gz MKZODPGAYHZXRC-UHFFFAOYSA-N 2 0 364.537 3.432 20 0 FGADRP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)C1 ZINC000175574316 496448709 /nfs/dbraw/zinc/44/87/09/496448709.db2.gz KNQGLJBNYJDWHI-BBWFWOEESA-N 2 0 364.559 3.057 20 0 FGADRP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N(C)[C@H]1CC[NH+](C)C[C@@H]1C ZINC000187474459 496457279 /nfs/dbraw/zinc/45/72/79/496457279.db2.gz RFRHOUCZLYPLLU-JBACZVJFSA-N 2 0 374.573 3.125 20 0 FGADRP CCO[C@H]1C[C@@H]([NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)C12CCCC2 ZINC000181707588 496511090 /nfs/dbraw/zinc/51/10/90/496511090.db2.gz UBRUVTDBGYROOU-YADHBBJMSA-N 2 0 372.553 3.471 20 0 FGADRP c1cc([C@@H]2CCC[NH+](CCCCC[N@@H+]3CCC[C@H](c4cc[nH]n4)C3)C2)n[nH]1 ZINC000157606701 496514174 /nfs/dbraw/zinc/51/41/74/496514174.db2.gz PRDBDSPNYDBQTC-KDURUIRLSA-N 2 0 370.545 3.362 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)Cc2cc3c(c(Br)c2)OCO3)[C@H](C)C1 ZINC000175730321 496518812 /nfs/dbraw/zinc/51/88/12/496518812.db2.gz KELIKHPMHKMVFT-DOMZBBRYSA-N 2 0 369.303 3.340 20 0 FGADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000175732801 496520211 /nfs/dbraw/zinc/52/02/11/496520211.db2.gz CKWVEEOBLHHPPQ-PMACEKPBSA-N 2 0 360.546 3.199 20 0 FGADRP C[C@H](CNC(=O)NC1CC[NH+](C2CCCC2)CC1)[N@H+](C)Cc1ccccc1 ZINC000175753384 496529745 /nfs/dbraw/zinc/52/97/45/496529745.db2.gz GEDGMDWCJUFRQP-GOSISDBHSA-N 2 0 372.557 3.213 20 0 FGADRP O=C(Nc1ccc2c(c1)C[NH2+]CC2)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000578048850 505849651 /nfs/dbraw/zinc/84/96/51/505849651.db2.gz SGQBPSYNCJGKOI-OAQYLSRUSA-N 2 0 364.493 3.118 20 0 FGADRP C[NH+](C)CCCOc1cccc(NC(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])c1 ZINC000574760145 505849701 /nfs/dbraw/zinc/84/97/01/505849701.db2.gz QSFXVYMLTSBIRR-HLVUACMISA-N 2 0 359.514 3.109 20 0 FGADRP C[C@@H](NC(=O)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1)C(C)(C)C[NH+](C)C ZINC000173056075 496535958 /nfs/dbraw/zinc/53/59/58/496535958.db2.gz RARLHVRUCOGHCB-AEFFLSMTSA-N 2 0 363.521 3.130 20 0 FGADRP CC(C)CC[NH+]1CCC(C[NH2+][C@H](C)c2ccc(-n3cnnn3)cc2)CC1 ZINC000163596592 496536253 /nfs/dbraw/zinc/53/62/53/496536253.db2.gz DHRJYTUTSDKLJY-QGZVFWFLSA-N 2 0 356.518 3.071 20 0 FGADRP C[NH+]1CCN(c2ccc(C[NH2+][C@H]3CC[C@](C)(c4ccccc4)C3)cn2)CC1 ZINC000187742169 496554413 /nfs/dbraw/zinc/55/44/13/496554413.db2.gz YBTWPGDTFANYON-GMAHTHKFSA-N 2 0 364.537 3.433 20 0 FGADRP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)N2CCC[NH+](C3CCCC3)CC2)C1 ZINC000178735693 496554805 /nfs/dbraw/zinc/55/48/05/496554805.db2.gz NQRYCCPGDSIRBX-IBGZPJMESA-N 2 0 364.578 3.014 20 0 FGADRP C[NH+](C)CCCCCCCNC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000157831182 496565028 /nfs/dbraw/zinc/56/50/28/496565028.db2.gz RWQSQZDPXZNHAY-LJQANCHMSA-N 2 0 352.567 3.158 20 0 FGADRP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCN(c3cc(Cl)ccc3OC)C2)[C@H](C)C1 ZINC000157962311 496596702 /nfs/dbraw/zinc/59/67/02/496596702.db2.gz DSLCRAKKAWISNO-OIISXLGYSA-N 2 0 351.922 3.247 20 0 FGADRP CC[NH+](CC)CCOc1ccccc1NC(=O)C[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000164323078 496605179 /nfs/dbraw/zinc/60/51/79/496605179.db2.gz DIPICVUBOZPPRE-ROUUACIJSA-N 2 0 361.530 3.372 20 0 FGADRP CCCC[NH+]1CCC([NH2+][C@@H](C)c2ccc(NS(=O)(=O)CC)cc2)CC1 ZINC000164480112 496614562 /nfs/dbraw/zinc/61/45/62/496614562.db2.gz ILOPZZZFKDBUEE-INIZCTEOSA-N 2 0 367.559 3.363 20 0 FGADRP C[NH+](C)CC1(CNC(=O)NC2CC[NH+](C3CCCCC3)CC2)CCCC1 ZINC000185022446 496626723 /nfs/dbraw/zinc/62/67/23/496626723.db2.gz JDPBUMGIAUQUBI-UHFFFAOYSA-N 2 0 364.578 3.205 20 0 FGADRP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCN(c3ccc(Br)cc3)C2)[C@H](C)C1 ZINC000164735886 496629995 /nfs/dbraw/zinc/62/99/95/496629995.db2.gz JYCQLFGMHHVUJO-KYJSFNMBSA-N 2 0 366.347 3.348 20 0 FGADRP C[C@@H](NC(=O)NCC1(C[NH+](C)C)CCCC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185060877 496641840 /nfs/dbraw/zinc/64/18/40/496641840.db2.gz JBFLBCNSIIQXQP-MSOLQXFVSA-N 2 0 364.578 3.061 20 0 FGADRP COc1ccc2c(c1)[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)CCCS2 ZINC000187994171 496644127 /nfs/dbraw/zinc/64/41/27/496644127.db2.gz IEBRPLBJDMBGOI-APWZRJJASA-N 2 0 364.555 3.449 20 0 FGADRP COc1ccc([C@@H](C)[NH2+]Cc2cccc(OCC[NH+](C)C)c2)cc1OC ZINC000173329775 496645748 /nfs/dbraw/zinc/64/57/48/496645748.db2.gz XJRGLNPABYPEER-MRXNPFEDSA-N 2 0 358.482 3.495 20 0 FGADRP COc1ccc([C@H](C)[NH2+]Cc2cccc(OCC[NH+](C)C)c2)cc1OC ZINC000173329762 496646201 /nfs/dbraw/zinc/64/62/01/496646201.db2.gz XJRGLNPABYPEER-INIZCTEOSA-N 2 0 358.482 3.495 20 0 FGADRP CC(=O)Nc1ccc(CC[NH2+][C@@H](C)c2cccc(OCC[NH+](C)C)c2)cc1 ZINC000165614326 496664410 /nfs/dbraw/zinc/66/44/10/496664410.db2.gz MSRKKWNSKBECBP-KRWDZBQOSA-N 2 0 369.509 3.479 20 0 FGADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)NC[C@@H](c2ccc(CC)cc2)[NH+](C)C)C1 ZINC000173411997 496681610 /nfs/dbraw/zinc/68/16/10/496681610.db2.gz LFTWXNQNACBLTM-FPOVZHCZSA-N 2 0 374.573 3.225 20 0 FGADRP CC[NH+](CC)C[C@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2)C1 ZINC000173422418 496686335 /nfs/dbraw/zinc/68/63/35/496686335.db2.gz DHZJORUGURJMMD-NHCUHLMSSA-N 2 0 357.542 3.231 20 0 FGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H](C[C@@H]2CCOC2)c2ccccc2)CC1 ZINC000166494372 496688062 /nfs/dbraw/zinc/68/80/62/496688062.db2.gz HKHJDGAFIUIMMU-RZUBCFFCSA-N 2 0 359.558 3.018 20 0 FGADRP Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)[C@H]([NH3+])Cc1ccccc1 ZINC000166721885 496692484 /nfs/dbraw/zinc/69/24/84/496692484.db2.gz RGWROTJVUOEGDK-LJQANCHMSA-N 2 0 369.534 3.052 20 0 FGADRP C[N@@H+]1CC[C@H](NC(=O)NC2CC[NH+](C3CCCC3)CC2)[C@@H]1c1ccccc1 ZINC000179186410 496705294 /nfs/dbraw/zinc/70/52/94/496705294.db2.gz GETFGFPMCCWDBW-SFTDATJTSA-N 2 0 370.541 3.138 20 0 FGADRP CN(C)[C@H](C(=O)N1CC(C)(C)[C@@H]1c1nccn1C)c1ccc(Cl)cc1 ZINC000569138477 505861036 /nfs/dbraw/zinc/86/10/36/505861036.db2.gz WFSXNWOFPVMYFX-HOTGVXAUSA-N 2 0 360.889 3.286 20 0 FGADRP CC(C)[NH+]1CCN(CCC[N@H+](C)CCOc2cccc(Cl)c2)CC1 ZINC000191378160 496742793 /nfs/dbraw/zinc/74/27/93/496742793.db2.gz IMAASEWQOPLPNR-UHFFFAOYSA-N 2 0 353.938 3.067 20 0 FGADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CC[C@H]3[C@H](CCC[NH+]3C)C2)C1 ZINC000247005705 496749385 /nfs/dbraw/zinc/74/93/85/496749385.db2.gz PVCBGWVGGGXNGO-QRVBRYPASA-N 2 0 364.578 3.013 20 0 FGADRP CCC(C)(C)[NH2+][C@H](C)C(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000273241822 496749616 /nfs/dbraw/zinc/74/96/16/496749616.db2.gz QIAOVNMWZWCOLE-HZPDHXFCSA-N 2 0 351.560 3.243 20 0 FGADRP c1cn(Cc2ccccc2)c(CN2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)n1 ZINC000247008372 496750043 /nfs/dbraw/zinc/75/00/43/496750043.db2.gz XFMNDYQJCXXFMT-FPOVZHCZSA-N 2 0 350.510 3.380 20 0 FGADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000273241824 496750400 /nfs/dbraw/zinc/75/04/00/496750400.db2.gz QIAOVNMWZWCOLE-JKSUJKDBSA-N 2 0 351.560 3.243 20 0 FGADRP C[C@H]1C[C@@H]([NH2+]Cc2ccccc2C[NH+]2C[C@@H](C)O[C@H](C)C2)CN1C1CC1 ZINC000247033479 496757789 /nfs/dbraw/zinc/75/77/89/496757789.db2.gz NRMVLSFBDFHKAX-XKGFGPFHSA-N 2 0 357.542 3.011 20 0 FGADRP CCN(C)c1ccc(C[NH+]2CCC(CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cn1 ZINC000191430394 496759533 /nfs/dbraw/zinc/75/95/33/496759533.db2.gz ZUGNKOYLJRIBTA-KDURUIRLSA-N 2 0 374.573 3.249 20 0 FGADRP COc1cccc2c1CCC[C@@H]2[NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000194932268 496765174 /nfs/dbraw/zinc/76/51/74/496765174.db2.gz XTXNRMWGLLEPIA-ACRUOGEOSA-N 2 0 358.526 3.430 20 0 FGADRP O[C@H](COc1ccccc1Cl)C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000247060701 496766426 /nfs/dbraw/zinc/76/64/26/496766426.db2.gz ZSLRZLUKUXEOEW-IEZWGBDMSA-N 2 0 364.917 3.028 20 0 FGADRP C[C@H]1C[C@@H]([NH2+]CCCC[NH+]2C[C@@H](C)O[C@H](C)C2)CN1Cc1ccccc1 ZINC000247069330 496769552 /nfs/dbraw/zinc/76/95/52/496769552.db2.gz QBSRLDBTBSABAD-GPQLQYNLSA-N 2 0 359.558 3.128 20 0 FGADRP CCCn1ccnc1CCC[N@H+](C)CC(=O)Nc1cc(C)ccc1OC ZINC000191474032 496774723 /nfs/dbraw/zinc/77/47/23/496774723.db2.gz NDGVVEZYISOGKL-UHFFFAOYSA-N 2 0 358.486 3.113 20 0 FGADRP C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)NC[C@H]2CCC[NH+](C)C2)C1 ZINC000247084474 496775161 /nfs/dbraw/zinc/77/51/61/496775161.db2.gz INQNZZAAIKMCOM-RBUKOAKNSA-N 2 0 372.557 3.060 20 0 FGADRP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccc(OCc3nccn3C)cc2)C1 ZINC000247088555 496775709 /nfs/dbraw/zinc/77/57/09/496775709.db2.gz PHAQXIQQUOYUNJ-MSOLQXFVSA-N 2 0 356.514 3.382 20 0 FGADRP COc1ccc([C@@H]2C[C@@H](C)[N@H+](CCCN3CC[NH+](C(C)C)CC3)C2)cc1 ZINC000191503235 496787053 /nfs/dbraw/zinc/78/70/53/496787053.db2.gz BWMYKQZIFKNIFO-TZIWHRDSSA-N 2 0 359.558 3.289 20 0 FGADRP COCCC[NH+]1CCC(N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000268800893 496789500 /nfs/dbraw/zinc/78/95/00/496789500.db2.gz ANBCPEGFHDGICX-DENIHFKCSA-N 2 0 359.558 3.130 20 0 FGADRP COCCC[NH+]1CCC(N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000268800899 496790087 /nfs/dbraw/zinc/79/00/87/496790087.db2.gz ANBCPEGFHDGICX-SIKLNZKXSA-N 2 0 359.558 3.130 20 0 FGADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](c2ccc(Cl)cc2)N2CCOCC2)[C@H](C)C1 ZINC000247164976 496796322 /nfs/dbraw/zinc/79/63/22/496796322.db2.gz YALGRVYFCRVYEK-LSTHTHJFSA-N 2 0 365.949 3.033 20 0 FGADRP Cc1nccn1CCC[NH2+][C@H](C)c1ccc(OCc2nccn2C)cc1 ZINC000268836254 496799599 /nfs/dbraw/zinc/79/95/99/496799599.db2.gz GWHVMQVGWIKAPE-MRXNPFEDSA-N 2 0 353.470 3.245 20 0 FGADRP CC[N@@H+](CC(=O)N[C@@H]1CCCC[C@H]1C)CC1CCN(c2ccccn2)CC1 ZINC000247204656 496804668 /nfs/dbraw/zinc/80/46/68/496804668.db2.gz CDUUULSRJOBWGF-UYAOXDASSA-N 2 0 372.557 3.315 20 0 FGADRP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCN(c3ccc(Br)cc3)C2)CC[N@@H+]1C ZINC000247240640 496813208 /nfs/dbraw/zinc/81/32/08/496813208.db2.gz YXXZQEPYVSBECA-INMHGKMJSA-N 2 0 366.347 3.348 20 0 FGADRP CC[C@H]([NH2+]Cc1ccc(OCC[NH+](CC)CC)c(OC)c1)c1cnn(C)c1 ZINC000268884808 496813733 /nfs/dbraw/zinc/81/37/33/496813733.db2.gz SGYJASITLPXYEO-IBGZPJMESA-N 2 0 374.529 3.390 20 0 FGADRP C[C@H]([NH2+]C(C)(C)CNC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1)c1ccccc1 ZINC000247315670 496832964 /nfs/dbraw/zinc/83/29/64/496832964.db2.gz VTULSGVSZYKYRM-IHPCNDPISA-N 2 0 372.557 3.242 20 0 FGADRP C[C@H](OC[C@H](O)C[N@H+](C)[C@H]1CCN(C)[C@H](C)C1)c1ccc(Cl)cc1 ZINC000247335769 496837486 /nfs/dbraw/zinc/83/74/86/496837486.db2.gz NELHAWVUPSXVPB-LVFSCSRESA-N 2 0 354.922 3.193 20 0 FGADRP C[C@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1ccc(OCc2ccccc2)cc1 ZINC000268985046 496842141 /nfs/dbraw/zinc/84/21/41/496842141.db2.gz LHMJMSONRZLYBL-SFHVURJKSA-N 2 0 354.494 3.373 20 0 FGADRP COc1ccc([C@@H](C[NH+]2CCCC2)NC(=O)C[C@H]([NH3+])c2ccccc2)cc1 ZINC000578132850 505870048 /nfs/dbraw/zinc/87/00/48/505870048.db2.gz BABCDJKHJYYRAT-LEWJYISDSA-N 2 0 367.493 3.038 20 0 FGADRP C[C@@H]1CCCC[C@@H]1NC(=O)CN(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000247485179 496870312 /nfs/dbraw/zinc/87/03/12/496870312.db2.gz KMDSAJMBZJUZSX-NRSPTQNISA-N 2 0 357.542 3.135 20 0 FGADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC000247489472 496871291 /nfs/dbraw/zinc/87/12/91/496871291.db2.gz VQVWHIODRBBFLI-MVCQKVDPSA-N 2 0 364.578 3.202 20 0 FGADRP CC[NH+](CC)CCOc1cc(NC(=O)CCCCCC[NH3+])ccc1OC ZINC000269240955 496902525 /nfs/dbraw/zinc/90/25/25/496902525.db2.gz JRPZWVXLBWWLLJ-UHFFFAOYSA-N 2 0 365.518 3.264 20 0 FGADRP Cc1ccc(C[NH2+]Cc2cccc(C(=O)NCC[NH+](C)C)c2)cc1Cl ZINC000195440815 496922825 /nfs/dbraw/zinc/92/28/25/496922825.db2.gz XDRBIBPTOIKMCW-UHFFFAOYSA-N 2 0 359.901 3.230 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2ccc(-n3cncn3)cc2)[C@H](C)C1 ZINC000248062703 496950005 /nfs/dbraw/zinc/95/00/05/496950005.db2.gz YXICMSRAEDNDKC-OPYAIIAOSA-N 2 0 371.529 3.055 20 0 FGADRP C[N@@H+](Cc1ccccc1)CC1CC[NH+](C[C@@H]2CC3(CCC3)C(=O)O2)CC1 ZINC000191985604 496953684 /nfs/dbraw/zinc/95/36/84/496953684.db2.gz IZMZACDIPOXSGK-FQEVSTJZSA-N 2 0 356.510 3.316 20 0 FGADRP [NH3+]C[C@H]1C[N@H+](Cc2cccc(OCc3ccccc3)c2)CC12CCOCC2 ZINC000580952693 505875873 /nfs/dbraw/zinc/87/58/73/505875873.db2.gz PVWCABREJQVZCE-NRFANRHFSA-N 2 0 366.505 3.453 20 0 FGADRP C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2Cc2ccccc2)[C@H]1c1ccccc1 ZINC000248141981 496961950 /nfs/dbraw/zinc/96/19/50/496961950.db2.gz YRNZPOOZNMKPDG-BHDDXSALSA-N 2 0 363.505 3.213 20 0 FGADRP CC(C)C[C@H](C)C(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000248389447 496989916 /nfs/dbraw/zinc/98/99/16/496989916.db2.gz GNBMNSRQIHDLOZ-DFQSSKMNSA-N 2 0 351.579 3.464 20 0 FGADRP CCS[C@@H]1CC[C@@H]([N@H+](C)CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000248396918 496994340 /nfs/dbraw/zinc/99/43/40/496994340.db2.gz KUUZBQZJPCHVFG-GUDVDZBRSA-N 2 0 363.571 3.012 20 0 FGADRP c1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH2+]CCCOC[C@@H]4CCOC4)[C@H]3C2)cc1 ZINC000248403326 496998477 /nfs/dbraw/zinc/99/84/77/496998477.db2.gz OMNAKIGIJQXZPK-MLCQCVOFSA-N 2 0 372.553 3.320 20 0 FGADRP COc1ccc([C@@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CC[C@@H](O)C2)c(OC)c1 ZINC000248447798 497014943 /nfs/dbraw/zinc/01/49/43/497014943.db2.gz NQPVUBGOHVCBTQ-VQIMIIECSA-N 2 0 370.493 3.121 20 0 FGADRP CC[NH+](CC)C[C@@H]1CCN(C[C@@H](O)COc2ccccc2C(F)(F)F)C1 ZINC000248451788 497016918 /nfs/dbraw/zinc/01/69/18/497016918.db2.gz JGIUAJALIGZXNM-JKSUJKDBSA-N 2 0 374.447 3.109 20 0 FGADRP C[C@H](C[NH2+]Cc1ccc(Br)c(Cl)c1)CN1CC[NH+](C)CC1 ZINC000192167120 497021217 /nfs/dbraw/zinc/02/12/17/497021217.db2.gz GKTXOUYLDQXENR-CYBMUJFWSA-N 2 0 374.754 3.076 20 0 FGADRP CCN1CC[C@H](C[NH2+][C@H]2CCCC[C@@H]2S(=O)(=O)c2ccc(C)cc2)C1 ZINC000248529346 497031453 /nfs/dbraw/zinc/03/14/53/497031453.db2.gz WSZNJWCULOZPAB-HOJAQTOUSA-N 2 0 364.555 3.011 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCCc2ccc3c(c2)CCO3)[C@@H](C)C1 ZINC000248664931 497076241 /nfs/dbraw/zinc/07/62/41/497076241.db2.gz KUXDWOJAVBJZHD-RXVVDRJESA-N 2 0 360.542 3.281 20 0 FGADRP c1c(CC[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)nc2n1CCS2 ZINC000274432730 497097527 /nfs/dbraw/zinc/09/75/27/497097527.db2.gz WBOFHUZSWNXKFS-YSIASYRMSA-N 2 0 368.550 3.032 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1ncc(C(C)C)s1 ZINC000192393747 497099949 /nfs/dbraw/zinc/09/99/49/497099949.db2.gz ZFQFXDFJUXMACV-HNNXBMFYSA-N 2 0 367.563 3.146 20 0 FGADRP C[NH+]1CCC(C)(C[NH2+]Cc2cc(Br)cc3c2OCC3)CC1 ZINC000231383596 497109562 /nfs/dbraw/zinc/10/95/62/497109562.db2.gz HFKFBLSMGZDYKU-UHFFFAOYSA-N 2 0 353.304 3.206 20 0 FGADRP C[C@]12CCC[N@@H+]1C[C@@H](c1noc(-c3ccc(C[NH+]4CCCC4)cc3)n1)OC2 ZINC000578200223 505885216 /nfs/dbraw/zinc/88/52/16/505885216.db2.gz LADQFUNPOAICBC-GHTZIAJQSA-N 2 0 368.481 3.258 20 0 FGADRP CC1CC[NH+]([C@@H](CNC(=O)[C@@H](C[NH3+])c2ccccc2)c2ccccc2)CC1 ZINC000236651870 497127581 /nfs/dbraw/zinc/12/75/81/497127581.db2.gz MWHZQDNLASRFDM-VXKWHMMOSA-N 2 0 365.521 3.318 20 0 FGADRP CNC(=O)c1cccc(C[NH2+][C@H]2[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000248955636 497140358 /nfs/dbraw/zinc/14/03/58/497140358.db2.gz FUTGDMOFPUQDKP-OEWRPIJISA-N 2 0 365.521 3.292 20 0 FGADRP CCC[NH+]1CCN(c2ccccc2C[NH2+]C[C@@]2(C)CCCC[C@@H]2O)CC1 ZINC000236801432 497147404 /nfs/dbraw/zinc/14/74/04/497147404.db2.gz LOYGTDUZIJUKSU-FCHUYYIVSA-N 2 0 359.558 3.249 20 0 FGADRP CCOc1ccc(C[NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)cc1F ZINC000278558928 497153676 /nfs/dbraw/zinc/15/36/76/497153676.db2.gz VYAMZQYXAQVQJM-UHFFFAOYSA-N 2 0 372.484 3.471 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)[C@H]1[NH2+]CCc2ccccc21)c1ccsc1 ZINC000236836526 497154650 /nfs/dbraw/zinc/15/46/50/497154650.db2.gz SJSGBOZHOBTBSJ-OALUTQOASA-N 2 0 357.523 3.134 20 0 FGADRP Cc1ccc(NC(=O)N2CC[C@H]([NH+]3CCCCC3)C2)c(OCC[NH+](C)C)c1 ZINC000265676786 497158752 /nfs/dbraw/zinc/15/87/52/497158752.db2.gz AVJKOJGBLHCUQX-SFHVURJKSA-N 2 0 374.529 3.028 20 0 FGADRP CC[NH+](CC)CCOc1cc(NC(=O)C2([NH3+])CCCCC2)ccc1OC ZINC000236877145 497161226 /nfs/dbraw/zinc/16/12/26/497161226.db2.gz MBNBXKQNQMPURK-UHFFFAOYSA-N 2 0 363.502 3.016 20 0 FGADRP C[C@H](CC[NH+](C)C)NC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000265704782 497164466 /nfs/dbraw/zinc/16/44/66/497164466.db2.gz AKLCGSKPTKZZNO-QWFCFKBJSA-N 2 0 360.546 3.021 20 0 FGADRP COc1ccccc1[C@H](O)C[NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274887395 497191529 /nfs/dbraw/zinc/19/15/29/497191529.db2.gz ITEXHGAKQHNKQE-SLYNCCJLSA-N 2 0 354.494 3.229 20 0 FGADRP COc1ccccc1[C@H](CNC(=O)CCC1CC[NH2+]CC1)[NH+]1CCCCC1 ZINC000237256343 497211386 /nfs/dbraw/zinc/21/13/86/497211386.db2.gz SHMIKETXGVHIBT-FQEVSTJZSA-N 2 0 373.541 3.118 20 0 FGADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(C[NH+]3CCCCC3)cc2)[C@@H](C)C1 ZINC000265946145 497214336 /nfs/dbraw/zinc/21/43/36/497214336.db2.gz JQMGSCIQJIHHTF-GHTZIAJQSA-N 2 0 357.542 3.475 20 0 FGADRP COc1ccccc1C[C@H]([NH2+]CCCN1CC[NH+](C(C)C)CC1)C(C)C ZINC000192796065 497216134 /nfs/dbraw/zinc/21/61/34/497216134.db2.gz YIPUEAZWHYAPTP-NRFANRHFSA-N 2 0 361.574 3.268 20 0 FGADRP CC[C@H]1CN(c2ccccc2)CC[N@@H+]1CCCN1CC[NH+](C(C)C)CC1 ZINC000192798999 497217246 /nfs/dbraw/zinc/21/72/46/497217246.db2.gz DEWKABQTOTYXCV-NRFANRHFSA-N 2 0 358.574 3.003 20 0 FGADRP Cc1cc(NC(=O)C[C@H](C)[C@H]2CCC[NH2+]C2)ccc1OCC[NH+]1CCCC1 ZINC000237372508 497227891 /nfs/dbraw/zinc/22/78/91/497227891.db2.gz MSYPELXEMJVJAZ-HKUYNNGSSA-N 2 0 373.541 3.434 20 0 FGADRP C[C@H](C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1)[C@@H]([NH3+])c1ccccc1 ZINC000237441873 497237402 /nfs/dbraw/zinc/23/74/02/497237402.db2.gz UFPAQFYMNKXJNE-KVSKMBFKSA-N 2 0 357.523 3.337 20 0 FGADRP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@H](C[NH3+])c2ccccc2)CC1 ZINC000237481970 497243141 /nfs/dbraw/zinc/24/31/41/497243141.db2.gz KNCKFUWNYRYFTD-LAUBAEHRSA-N 2 0 351.494 3.071 20 0 FGADRP O[C@H](C[NH2+]Cc1ccccc1C[NH+]1CCCC1)COCc1ccccc1F ZINC000578232240 505893848 /nfs/dbraw/zinc/89/38/48/505893848.db2.gz MQMRQGRDNWGZIF-OAQYLSRUSA-N 2 0 372.484 3.089 20 0 FGADRP COc1cc(C[NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)cc(OC)c1OC ZINC000192922143 497247615 /nfs/dbraw/zinc/24/76/15/497247615.db2.gz PVNKFCPJUAGDJZ-GOSISDBHSA-N 2 0 370.493 3.324 20 0 FGADRP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@H]2Cc3ccccc3C[NH2+]2)CC1 ZINC000237520091 497249792 /nfs/dbraw/zinc/24/97/92/497249792.db2.gz VODDTUVVUNVOMZ-HTAPYJJXSA-N 2 0 363.505 3.043 20 0 FGADRP Ic1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000249999303 497259444 /nfs/dbraw/zinc/25/94/44/497259444.db2.gz PGHBKWKTWZKLEP-CABCVRRESA-N 2 0 356.251 3.008 20 0 FGADRP Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)c1ccc(C[NH3+])cc1 ZINC000237593082 497260024 /nfs/dbraw/zinc/26/00/24/497260024.db2.gz CQOAICYTULTLJW-UHFFFAOYSA-N 2 0 355.507 3.255 20 0 FGADRP COCCn1cc(C[NH2+]Cc2ccccc2C[N@H+](C)Cc2ccco2)cn1 ZINC000266157115 497269418 /nfs/dbraw/zinc/26/94/18/497269418.db2.gz MJRHKVSEYJMBIU-UHFFFAOYSA-N 2 0 368.481 3.044 20 0 FGADRP CC(C)c1[nH+]c(CNCc2ccnc(OCC[NH+](C)C)c2)c2ccccn21 ZINC000572125690 505896096 /nfs/dbraw/zinc/89/60/96/505896096.db2.gz GAIYRJKFBWWVFR-UHFFFAOYSA-N 2 0 367.497 3.083 20 0 FGADRP C[C@@H]([NH2+]CCOCC(F)(F)C(F)(F)F)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000189933457 497297850 /nfs/dbraw/zinc/29/78/50/497297850.db2.gz MRXJVAJNMIQLLX-CHWSQXEVSA-N 2 0 358.395 3.443 20 0 FGADRP [NH3+][C@H](CCC(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1)c1ccccc1 ZINC000237926812 497314935 /nfs/dbraw/zinc/31/49/35/497314935.db2.gz PJFXMQSYCUEBRX-IFMALSPDSA-N 2 0 365.521 3.147 20 0 FGADRP Cc1cccc(C[NH+]2CCC(NC(=O)C[C@@H]([NH3+])c3ccccc3)CC2)c1 ZINC000237941578 497317115 /nfs/dbraw/zinc/31/71/15/497317115.db2.gz OKCUPPZCBIGFRZ-OAQYLSRUSA-N 2 0 351.494 3.166 20 0 FGADRP [NH3+][C@@H](CCC(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000237950516 497319305 /nfs/dbraw/zinc/31/93/05/497319305.db2.gz MSBBOIWGOFZJDD-SFTDATJTSA-N 2 0 351.494 3.247 20 0 FGADRP [NH3+]C[C@@H](C(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1)c1ccccc1 ZINC000238028155 497330015 /nfs/dbraw/zinc/33/00/15/497330015.db2.gz WMXCHDCASSPRGP-UXHICEINSA-N 2 0 371.912 3.336 20 0 FGADRP CC(C)[N@@H+](C)C[C@H](C)NC(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000569298090 505899556 /nfs/dbraw/zinc/89/95/56/505899556.db2.gz RAIMPKQHXMERSG-ZWKOTPCHSA-N 2 0 360.546 3.240 20 0 FGADRP C[C@@H]([NH2+]CCCCCCC[NH+]1CCCC1)c1cccc(S(N)(=O)=O)c1 ZINC000271606839 497397408 /nfs/dbraw/zinc/39/74/08/497397408.db2.gz AEIDYPVGAWQDFV-QGZVFWFLSA-N 2 0 367.559 3.031 20 0 FGADRP CC[C@@H](C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cc1)[NH+](CC)CC ZINC000271701634 497423540 /nfs/dbraw/zinc/42/35/40/497423540.db2.gz HNEOTMRXWGKLBO-FQEVSTJZSA-N 2 0 360.546 3.276 20 0 FGADRP C[NH+]1CCC(O)(C[NH2+][C@H](c2ccc(Br)s2)C2CC2)CC1 ZINC000275921842 497463365 /nfs/dbraw/zinc/46/33/65/497463365.db2.gz QCTYGDAVMKERQI-AWEZNQCLSA-N 2 0 359.333 3.008 20 0 FGADRP O=C(CC[C@H]1CC[NH2+]C1)N1CC[N@H+](Cc2ccccc2)C2(CCCCC2)C1 ZINC000261892563 497469622 /nfs/dbraw/zinc/46/96/22/497469622.db2.gz UFDMOXIWRBCOII-FQEVSTJZSA-N 2 0 369.553 3.423 20 0 FGADRP C[NH+]1CCN(c2ncccc2C[NH2+][C@H](c2ccc(F)cc2)C2CC2)CC1 ZINC000271863329 497473275 /nfs/dbraw/zinc/47/32/75/497473275.db2.gz OQARUYUEPWFKFV-FQEVSTJZSA-N 2 0 354.473 3.213 20 0 FGADRP C[NH+](C)Cc1ccc(C(=O)N2CCC(c3ncc4n3CCCC4)CC2)cc1 ZINC000279607873 497485976 /nfs/dbraw/zinc/48/59/76/497485976.db2.gz WOGUWNSIDOBCKF-UHFFFAOYSA-N 2 0 366.509 3.301 20 0 FGADRP C[NH2+]CCC1CC[NH+]([C@H](C)C(=O)N[C@H](C)c2ccc3c(c2)CCCC3)CC1 ZINC000261996042 497488833 /nfs/dbraw/zinc/48/88/33/497488833.db2.gz NSZPHMQOSOBIPE-QZTJIDSGSA-N 2 0 371.569 3.453 20 0 FGADRP CC(C)(C)N1C[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1=O ZINC000245681765 497499471 /nfs/dbraw/zinc/49/94/71/497499471.db2.gz JAPXEFKGTJDIBG-WTGUMLROSA-N 2 0 355.526 3.171 20 0 FGADRP CC(C)[C@H](NC(=O)C[N@@H+]1CC[C@H](C)[C@H](n2ccnc2)C1)c1ccccc1 ZINC000245727049 497518324 /nfs/dbraw/zinc/51/83/24/497518324.db2.gz VLXAOQFFXAGPRT-DSKINZAPSA-N 2 0 354.498 3.280 20 0 FGADRP CC(C)[C@H](NC(=O)C[N@@H+]1CC[C@@H](C)[C@@H](n2ccnc2)C1)c1ccccc1 ZINC000245727056 497518568 /nfs/dbraw/zinc/51/85/68/497518568.db2.gz VLXAOQFFXAGPRT-LMNJBCLMSA-N 2 0 354.498 3.280 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)[C@H]([NH3+])Cc1ccccc1 ZINC000262219360 497525677 /nfs/dbraw/zinc/52/56/77/497525677.db2.gz ZNKVJGPEDPEMLN-XMSQKQJNSA-N 2 0 365.521 3.247 20 0 FGADRP CC(C)[NH+]1CCC(NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000267369454 497534949 /nfs/dbraw/zinc/53/49/49/497534949.db2.gz SKROTCBEDOPHLR-NQIIRXRSSA-N 2 0 372.557 3.069 20 0 FGADRP Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)C[C@@H]1CCCC[C@@H]1[NH3+] ZINC000575062681 505913159 /nfs/dbraw/zinc/91/31/59/505913159.db2.gz YJZKPZXMVHTUMS-WMZOPIPTSA-N 2 0 361.555 3.390 20 0 FGADRP CC[NH+](CC)CCOc1ccc(CNC(=O)[C@@H]([NH3+])c2ccc(C)cc2)cc1 ZINC000262684033 497599739 /nfs/dbraw/zinc/59/97/39/497599739.db2.gz XCQBEVFNKBYEIS-NRFANRHFSA-N 2 0 369.509 3.032 20 0 FGADRP O=C(c1ccc2c(c1)CC[NH2+]CC2)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000276578768 497604675 /nfs/dbraw/zinc/60/46/75/497604675.db2.gz HUHMSQJLIPLXDZ-LJQANCHMSA-N 2 0 369.553 3.103 20 0 FGADRP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@](C)([NH3+])c1ccccc1 ZINC000262772162 497617226 /nfs/dbraw/zinc/61/72/26/497617226.db2.gz JAZXHRYVFHNZKK-REWPJTCUSA-N 2 0 365.521 3.231 20 0 FGADRP C[C@@H]1C[C@@H](N(C)C(=O)NC[C@H](c2ccccc2Cl)N(C)C)CC[N@@H+]1C ZINC000246109309 497625705 /nfs/dbraw/zinc/62/57/05/497625705.db2.gz HQZKAWSZWLCEEE-RVKKMQEKSA-N 2 0 366.937 3.067 20 0 FGADRP C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000246166850 497644931 /nfs/dbraw/zinc/64/49/31/497644931.db2.gz FPBOYYHLSPHNNI-RTBURBONSA-N 2 0 364.578 3.157 20 0 FGADRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)C[C@H]([NH3+])c1ccccc1 ZINC000262943363 497662265 /nfs/dbraw/zinc/66/22/65/497662265.db2.gz USAOTGXEFJXCNB-KXXHFCIOSA-N 2 0 365.521 3.349 20 0 FGADRP C[C@H](C(=O)Nc1ccc(Br)cc1)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000246213817 497662967 /nfs/dbraw/zinc/66/29/67/497662967.db2.gz YFMKYAFYHFWUNH-KGLIPLIRSA-N 2 0 368.319 3.050 20 0 FGADRP [NH3+][C@H](CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccccc1 ZINC000246238966 497670802 /nfs/dbraw/zinc/67/08/02/497670802.db2.gz DARDENMRTMXJHE-LQCXBHPOSA-N 2 0 363.505 3.388 20 0 FGADRP COc1cccc2c1CC[C@@H]2[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000272730718 497715145 /nfs/dbraw/zinc/71/51/45/497715145.db2.gz ILBQXRNQKYHDJP-UGKGYDQZSA-N 2 0 366.505 3.429 20 0 FGADRP COc1ccc2c(c1)[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1)CCC2 ZINC000272735377 497715616 /nfs/dbraw/zinc/71/56/16/497715616.db2.gz JQVDMSSUFPNJBS-OFNKIYASSA-N 2 0 366.505 3.429 20 0 FGADRP CC[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)c1ccc2c(c1)OCCO2 ZINC000246400949 497722288 /nfs/dbraw/zinc/72/22/88/497722288.db2.gz LRNDTDIBKYLQBI-SLFFLAALSA-N 2 0 374.525 3.266 20 0 FGADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000246410191 497724507 /nfs/dbraw/zinc/72/45/07/497724507.db2.gz FFRNQGNKPPUMRO-JBACZVJFSA-N 2 0 372.557 3.023 20 0 FGADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCN(Cc3ccccn3)C[C@@H]2C)C1 ZINC000246444644 497736266 /nfs/dbraw/zinc/73/62/66/497736266.db2.gz OUAQAIAZYQUKQE-TUNNFDKTSA-N 2 0 358.574 3.250 20 0 FGADRP C[C@]1([NH3+])CCCC[C@@H]1C(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000263229870 497737326 /nfs/dbraw/zinc/73/73/26/497737326.db2.gz NHUCOQAEPKTNLY-PUHATCMVSA-N 2 0 369.553 3.409 20 0 FGADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)N[C@H]2C[C@@H](C)[NH+](Cc3ccccc3)C2)C1 ZINC000246472702 497746064 /nfs/dbraw/zinc/74/60/64/497746064.db2.gz GVCFRNLCZQRFRE-NRSPTQNISA-N 2 0 372.557 3.069 20 0 FGADRP [NH3+][C@H](Cc1ccccc1)C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000263284416 497749365 /nfs/dbraw/zinc/74/93/65/497749365.db2.gz TUAHBVOSKFSUAH-JOCHJYFZSA-N 2 0 365.521 3.249 20 0 FGADRP Cc1ccc(Br)cc1NC(=O)CC[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000246522115 497762622 /nfs/dbraw/zinc/76/26/22/497762622.db2.gz URPBMKPNDKOLID-ZFWWWQNUSA-N 2 0 368.319 3.158 20 0 FGADRP Cc1ccc([C@H](CNC(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)[NH+]2CCCC2)cc1 ZINC000246568700 497776297 /nfs/dbraw/zinc/77/62/97/497776297.db2.gz ZHWAWQLSNMQIHH-JBACZVJFSA-N 2 0 372.557 3.256 20 0 FGADRP CCC(CC)[C@H](CNC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1)[NH+]1CCCC1 ZINC000246825976 497814123 /nfs/dbraw/zinc/81/41/23/497814123.db2.gz JYBYHTBUWHCISD-ZCNNSNEGSA-N 2 0 364.578 3.013 20 0 FGADRP C[C@H]([NH2+]C(C)(C)CNC(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1)c1ccccc1 ZINC000246840142 497815591 /nfs/dbraw/zinc/81/55/91/497815591.db2.gz BQKWBNHHQPMSSM-YTQUADARSA-N 2 0 360.546 3.288 20 0 FGADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+][C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000246870258 497817771 /nfs/dbraw/zinc/81/77/71/497817771.db2.gz CNXIEQANYBSWOZ-DEICHXMPSA-N 2 0 366.347 3.346 20 0 FGADRP CCCOc1ncccc1C[NH2+][C@H]1CCN(Cc2ccccn2)C[C@H]1C ZINC000246878544 497818275 /nfs/dbraw/zinc/81/82/75/497818275.db2.gz DVYCNQKMEPWOAU-XLIONFOSSA-N 2 0 354.498 3.266 20 0 FGADRP C[C@H](C(=O)N(C)CCC1CC[NH+](C2CCN(C)CC2)CC1)C(C)(C)C ZINC000364185681 497828782 /nfs/dbraw/zinc/82/87/82/497828782.db2.gz UMDISSTXAZIFJG-QGZVFWFLSA-N 2 0 351.579 3.323 20 0 FGADRP CN(c1ccccc1C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1)C1CC[NH+](C)CC1 ZINC000581310913 505958574 /nfs/dbraw/zinc/95/85/74/505958574.db2.gz TVDFOEGUAHPMTA-PMACEKPBSA-N 3 0 370.585 3.039 20 0 FGADRP CCOC(=O)C1([C@H](C)[NH2+]Cc2ccccc2COC(C)C)CC[NH2+]CC1 ZINC000575243609 505950162 /nfs/dbraw/zinc/95/01/62/505950162.db2.gz RCKCVOBRFXXJQR-KRWDZBQOSA-N 2 0 362.514 3.023 20 0 FGADRP C[C@@H]([NH2+][C@H]1CCN(CCN2CCOCC2)C1)c1ccc(-c2ccccc2)o1 ZINC000364455144 497966108 /nfs/dbraw/zinc/96/61/08/497966108.db2.gz DVCAMMZFCDBGRB-QUCCMNQESA-N 2 0 369.509 3.004 20 0 FGADRP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)N2CCC(C[NH+](C)C(C)C)CC2)C1 ZINC000569543511 505959285 /nfs/dbraw/zinc/95/92/85/505959285.db2.gz URZFRNMOBMUPKX-FQEVSTJZSA-N 2 0 366.594 3.116 20 0 FGADRP CCOC(=O)c1c(C)c2ccccc2nc1C[NH+]1CCC(CC[NH3+])CC1 ZINC000572413438 505962985 /nfs/dbraw/zinc/96/29/85/505962985.db2.gz DRKDQGMZGUDFJY-UHFFFAOYSA-N 2 0 355.482 3.281 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)NC[C@@H]1CCC[C@H]([NH3+])C1 ZINC000575351902 505966824 /nfs/dbraw/zinc/96/68/24/505966824.db2.gz JWAARCRRCJKAIS-OPYAIIAOSA-N 2 0 372.557 3.378 20 0 FGADRP CCc1ccccc1NC(=O)C[C@@H](C)[NH2+]CC1(SC)CC[NH+](C)CC1 ZINC000572447346 505971339 /nfs/dbraw/zinc/97/13/39/505971339.db2.gz HDMPSGRPSRIRAQ-MRXNPFEDSA-N 2 0 363.571 3.383 20 0 FGADRP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N1CC[C@@H](C)[NH+](Cc2ccccc2)CC1 ZINC000572451961 505972200 /nfs/dbraw/zinc/97/22/00/505972200.db2.gz PRENYXAHFOVMCX-RTBURBONSA-N 2 0 360.546 3.021 20 0 FGADRP Oc1cccc2c1CCC[C@H]2[NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000285358772 498062699 /nfs/dbraw/zinc/06/26/99/498062699.db2.gz VOAAOCFEJOJSQH-GHTZIAJQSA-N 2 0 352.478 3.126 20 0 FGADRP COc1ccc(NC(=O)CC[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)cc1Cl ZINC000285449612 498089229 /nfs/dbraw/zinc/08/92/29/498089229.db2.gz IXWPHSJNJJSTQC-XYPWUTKMSA-N 2 0 365.905 3.234 20 0 FGADRP CCN(C(=O)Nc1ccn2ccnc2c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000569653802 505985066 /nfs/dbraw/zinc/98/50/66/505985066.db2.gz TYZVSVFATHSEMZ-IBGZPJMESA-N 2 0 363.465 3.463 20 0 FGADRP CCCN(CCC[NH+](C)C)C(=O)NC1CC[NH+](Cc2cccs2)CC1 ZINC000364780494 498139387 /nfs/dbraw/zinc/13/93/87/498139387.db2.gz WBTUMCKYACGFNM-UHFFFAOYSA-N 2 0 366.575 3.086 20 0 FGADRP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCCC2)cc1)c1ccc2c(c1)OCC(=O)N2 ZINC000285656522 498161528 /nfs/dbraw/zinc/16/15/28/498161528.db2.gz MNUJVWNTALSFAQ-INIZCTEOSA-N 2 0 365.477 3.464 20 0 FGADRP C[N@@H+]1CCC[C@]2(CC[NH+](CCc3nc(-c4cccc(Cl)c4)no3)C2)C1 ZINC000292834965 498164802 /nfs/dbraw/zinc/16/48/02/498164802.db2.gz AVGXVYDTCHUVNF-IBGZPJMESA-N 2 0 360.889 3.350 20 0 FGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]Cc2ccc(Sc3ccccn3)o2)CC1 ZINC000292936074 498202704 /nfs/dbraw/zinc/20/27/04/498202704.db2.gz IGDZYYUKJQENOZ-KRWDZBQOSA-N 2 0 374.554 3.189 20 0 FGADRP CC(C)[N@@H+]1CCc2nc(CN3CCC(CC[NH+](C)C)CC3)sc2C1 ZINC000359963492 498232467 /nfs/dbraw/zinc/23/24/67/498232467.db2.gz ZHZKVZSFAFISKE-UHFFFAOYSA-N 2 0 350.576 3.073 20 0 FGADRP C[N@H+](C[C@@H]1CC12CC[NH+](CCOCC(F)(F)C(F)F)CC2)C1CC1 ZINC000365005859 498251077 /nfs/dbraw/zinc/25/10/77/498251077.db2.gz UJVJKFJBEZLKAD-ZDUSSCGKSA-N 2 0 352.416 3.100 20 0 FGADRP COC(=O)c1cc(C[NH2+]Cc2cccc(C[NH+]3CCCCCC3)c2)cn1C ZINC000569741384 506005195 /nfs/dbraw/zinc/00/51/95/506005195.db2.gz MHBCMMYTHYRVFC-UHFFFAOYSA-N 2 0 369.509 3.478 20 0 FGADRP O[C@H](C[NH2+][C@@H]1CCCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21)C1CCOCC1 ZINC000286028779 498272392 /nfs/dbraw/zinc/27/23/92/498272392.db2.gz JAOVTHJKGFQEEA-SSGKUCQKSA-N 2 0 372.553 3.054 20 0 FGADRP OC1CC[NH+](Cc2ccc(C[NH2+][C@@H]3CCCC[C@@H]3[C@@H]3CCOC3)cc2)CC1 ZINC000365070833 498283375 /nfs/dbraw/zinc/28/33/75/498283375.db2.gz YOAIXMJEHGKXAG-YMPZKCBVSA-N 2 0 372.553 3.328 20 0 FGADRP COc1ccc(C[NH+]2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)cc1OC(F)F ZINC000578738849 506010195 /nfs/dbraw/zinc/01/01/95/506010195.db2.gz FXFNSVFGNVCCOH-RDJZCZTQSA-N 2 0 370.440 3.015 20 0 FGADRP Cc1noc(CCC[N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)n1 ZINC000293163751 498291116 /nfs/dbraw/zinc/29/11/16/498291116.db2.gz CNJMNLJIXSVXOG-UHFFFAOYSA-N 2 0 354.498 3.299 20 0 FGADRP C[C@H]([NH2+]Cc1ccccc1C[N@H+](C)C1CCCCC1)c1ccc(=O)[nH]n1 ZINC000286167717 498312484 /nfs/dbraw/zinc/31/24/84/498312484.db2.gz QFOLWXGCPJDEFT-INIZCTEOSA-N 2 0 354.498 3.385 20 0 FGADRP COC[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccc(-c3c[nH]cn3)cc2)CC1 ZINC000569781309 506014419 /nfs/dbraw/zinc/01/44/19/506014419.db2.gz DIVLBESIILQNTH-JKSUJKDBSA-N 2 0 356.470 3.152 20 0 FGADRP C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)N2CCC(c3c[nH]cn3)CC2)C1 ZINC000360891175 498319419 /nfs/dbraw/zinc/31/94/19/498319419.db2.gz WSBHBEBPCUNVJF-IRXDYDNUSA-N 2 0 361.534 3.057 20 0 FGADRP Cc1ncc2c(n1)CC[C@H]([NH2+][C@@H]1CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]13)C2 ZINC000360999103 498331010 /nfs/dbraw/zinc/33/10/10/498331010.db2.gz MSRCBYQLDXEKIM-LCKKVJLRSA-N 2 0 362.521 3.143 20 0 FGADRP C[C@H](C[NH2+][C@@H]1CCCOc2cc(Cl)ccc21)CN1CC[NH+](C)CC1 ZINC000361050738 498338325 /nfs/dbraw/zinc/33/83/25/498338325.db2.gz VTARBEUVICHMFV-CRAIPNDOSA-N 2 0 351.922 3.027 20 0 FGADRP CC(C)[C@H](C(=O)NCCCC[NH+]1CCC(Cc2ccccc2)CC1)[C@@H](C)[NH3+] ZINC000572637905 506018223 /nfs/dbraw/zinc/01/82/23/506018223.db2.gz BYFDLKCJOOVHIT-KNQAVFIVSA-N 2 0 373.585 3.457 20 0 FGADRP COc1ccc([C@@H]2[C@H](CNC3C[C@H]4CC[C@@H](C3)[N@H+]4C)CCC[NH+]2C)cc1 ZINC000365236264 498366412 /nfs/dbraw/zinc/36/64/12/498366412.db2.gz SLUWCCOPPPQCTL-XWPRQMSVSA-N 2 0 357.542 3.293 20 0 FGADRP O=C(c1cccc(CN2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@H]3C2)c1)N1CCCCC1 ZINC000361479801 498397562 /nfs/dbraw/zinc/39/75/62/498397562.db2.gz XHJMVQNOEGYQIF-BHIFYINESA-N 2 0 367.537 3.229 20 0 FGADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)c1ccccc1CC1CC[NH2+]CC1 ZINC000581610499 506027633 /nfs/dbraw/zinc/02/76/33/506027633.db2.gz QSKIFJGJNCGMTH-FQEVSTJZSA-N 2 0 357.542 3.223 20 0 FGADRP CC1=C[C@H](C)C[C@H](C[NH+]2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)C1 ZINC000575913756 506032088 /nfs/dbraw/zinc/03/20/88/506032088.db2.gz JSIBFZVYSVKRPU-HKUYNNGSSA-N 2 0 363.590 3.395 20 0 FGADRP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000286571445 498440377 /nfs/dbraw/zinc/44/03/77/498440377.db2.gz XOZPDEDULQAXJT-NQIIRXRSSA-N 2 0 370.541 3.051 20 0 FGADRP CC(=O)Nc1ccc([C@@H](C)[NH2+]Cc2ccncc2OCCC[NH+](C)C)cc1 ZINC000290196445 498460382 /nfs/dbraw/zinc/46/03/82/498460382.db2.gz GILXIGNBLPOVOX-MRXNPFEDSA-N 2 0 370.497 3.221 20 0 FGADRP Nc1nccc([C@@H]2CCC[N@H+](Cc3ccc(C[NH+]4CCCCC4)cc3)C2)n1 ZINC000578856270 506037834 /nfs/dbraw/zinc/03/78/34/506037834.db2.gz NHPHEVDXODYHDW-HXUWFJFHSA-N 2 0 365.525 3.255 20 0 FGADRP CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+]CCCCC[NH+]2CCCC2)cc1 ZINC000293730264 498469980 /nfs/dbraw/zinc/46/99/80/498469980.db2.gz OISDZWDKDUYDKR-QGZVFWFLSA-N 2 0 367.559 3.365 20 0 FGADRP C[C@H]([NH2+]C[C@H]1CCCC[N@H+](Cc2ccccc2)C1)C(C)(C)n1cncn1 ZINC000290294672 498499187 /nfs/dbraw/zinc/49/91/87/498499187.db2.gz YETYAZXASSMTRW-AZUAARDMSA-N 2 0 355.530 3.294 20 0 FGADRP O=C(NCc1ccc2c[nH+]cn2c1)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000297579888 498500749 /nfs/dbraw/zinc/50/07/49/498500749.db2.gz DLXRPEHTGISMMU-IBGZPJMESA-N 2 0 369.513 3.132 20 0 FGADRP CC(C)C[NH+]1CCC(NC(=O)N(C)[C@@H](c2ncc[nH]2)c2ccccc2)CC1 ZINC000297601515 498507511 /nfs/dbraw/zinc/50/75/11/498507511.db2.gz QLVMLTBWUGWCDX-LJQANCHMSA-N 2 0 369.513 3.261 20 0 FGADRP C[NH+](C)CCCC[NH2+]Cc1c(Br)cncc1Br ZINC000290322780 498508197 /nfs/dbraw/zinc/50/81/97/498508197.db2.gz ADINZQNOPVLZJC-UHFFFAOYSA-N 2 0 365.113 3.038 20 0 FGADRP CCOc1c(OC)cc(C[N@@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)cc1OC ZINC000290338287 498515043 /nfs/dbraw/zinc/51/50/43/498515043.db2.gz FGDLSXQIHAYEOP-SFHVURJKSA-N 2 0 362.514 3.266 20 0 FGADRP C[C@@H]1CN(Cc2ccccc2)C[C@H]1[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000297627968 498516671 /nfs/dbraw/zinc/51/66/71/498516671.db2.gz LUDQSTOJGDESBQ-XMSQKQJNSA-N 2 0 350.510 3.161 20 0 FGADRP O=C(NCCCCC[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)OCc1ccccc1 ZINC000286949682 498564488 /nfs/dbraw/zinc/56/44/88/498564488.db2.gz BNFKVYYSOIUFIW-UXHICEINSA-N 2 0 359.514 3.300 20 0 FGADRP C[NH+](C)Cc1c2ccccc2oc1C(=O)NCCCCC[NH+]1CCCC1 ZINC000294047265 498572377 /nfs/dbraw/zinc/57/23/77/498572377.db2.gz XYGIFSOTYOAHTC-UHFFFAOYSA-N 2 0 357.498 3.490 20 0 FGADRP C[C@H](NC(=O)N(C)CCC[NH+]1CCCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000282592210 498573776 /nfs/dbraw/zinc/57/37/76/498573776.db2.gz LUQOXBJIMKWFBO-PZJWPPBQSA-N 2 0 372.557 3.024 20 0 FGADRP Cc1ccc2[nH]c3c(c2c1)CCC[C@H]3[NH2+][C@@H](C)CCN1CC[NH+](C)CC1 ZINC000290543307 498591912 /nfs/dbraw/zinc/59/19/12/498591912.db2.gz ZZQBUJWJRCFVJE-LAUBAEHRSA-N 2 0 354.542 3.469 20 0 FGADRP COc1nccnc1C[NH2+]C[C@@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000294109971 498592827 /nfs/dbraw/zinc/59/28/27/498592827.db2.gz CVDHKNUABOLTNN-SUMWQHHRSA-N 2 0 364.852 3.060 20 0 FGADRP [NH3+]CCCN(CC1CCCC1)C(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000576038115 506061706 /nfs/dbraw/zinc/06/17/06/506061706.db2.gz ZXWUPLIVVJJYEM-UHFFFAOYSA-N 2 0 357.542 3.266 20 0 FGADRP C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)NCc2ccc3c[nH+]cn3c2)C1 ZINC000297972831 498626055 /nfs/dbraw/zinc/62/60/55/498626055.db2.gz XLIIHCPDGHSCBC-PKOBYXMFSA-N 2 0 369.513 3.130 20 0 FGADRP Cc1nn(-c2ccccn2)c(C)c1C[NH2+]CCCCNc1ccccn1 ZINC000282788051 498653969 /nfs/dbraw/zinc/65/39/69/498653969.db2.gz YIELKCHVNFLTMP-UHFFFAOYSA-N 2 0 350.470 3.261 20 0 FGADRP Cc1ccc([C@H](CNC(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)[NH+](C)C)cc1 ZINC000303269755 498658713 /nfs/dbraw/zinc/65/87/13/498658713.db2.gz HAOLEYCIPHJMCR-RTWAWAEBSA-N 2 0 372.557 3.258 20 0 FGADRP c1nn(Cc2ccccc2)cc1C[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000570035761 506074127 /nfs/dbraw/zinc/07/41/27/506074127.db2.gz ROAIEBHAOIJJOY-GGAORHGYSA-N 2 0 374.488 3.277 20 0 FGADRP C[N@@H+]1CC[C@@H](CNC(=O)CC2CC[NH+](C)CC2)[C@@H]1c1cccc(Cl)c1 ZINC000365967032 498716269 /nfs/dbraw/zinc/71/62/69/498716269.db2.gz GASHZTWOVBCMDM-PXNSSMCTSA-N 2 0 363.933 3.181 20 0 FGADRP C[NH+](C)Cc1ccccc1C(=O)NC[C@H]1CC[N@H+](C)[C@@H]1c1cccs1 ZINC000366001223 498725746 /nfs/dbraw/zinc/72/57/46/498725746.db2.gz NUFVMKNMCIRPCO-BEFAXECRSA-N 2 0 357.523 3.233 20 0 FGADRP FC(F)(F)COCCC[N@@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000311213770 498750713 /nfs/dbraw/zinc/75/07/13/498750713.db2.gz LYDUMKGPHJPSOR-MSOLQXFVSA-N 2 0 356.432 3.409 20 0 FGADRP C[C@H](NC(=O)CC[C@@H]([NH3+])c1ccccc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000312682411 498761514 /nfs/dbraw/zinc/76/15/14/498761514.db2.gz LFWIKXNYFQLQHS-VLCRHTCISA-N 2 0 365.521 3.493 20 0 FGADRP COC(=O)c1ccc(C[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)cc1 ZINC000313115930 498766545 /nfs/dbraw/zinc/76/65/45/498766545.db2.gz ZSEVLTPXKUEDOQ-FDFHNCONSA-N 2 0 364.489 3.473 20 0 FGADRP C[C@H](C[NH2+]C1CCN(C2CC[NH+](C)CC2)CC1)c1cc(F)cc(F)c1 ZINC000294710422 498779751 /nfs/dbraw/zinc/77/97/51/498779751.db2.gz BGOMAXZWORPLPP-OAHLLOKOSA-N 2 0 351.485 3.217 20 0 FGADRP COc1cc(C[NH+]2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)ccc1OC(F)F ZINC000579087914 506091308 /nfs/dbraw/zinc/09/13/08/506091308.db2.gz GJWYZSICFPERMB-NVXWUHKLSA-N 2 0 370.440 3.015 20 0 FGADRP C[C@H](C[NH2+][C@H](C)c1csc(-c2ccccc2F)n1)N1CC[NH+](C)CC1 ZINC000291156639 498821088 /nfs/dbraw/zinc/82/10/88/498821088.db2.gz ITJWRIGRPUKNCQ-HUUCEWRRSA-N 2 0 362.518 3.236 20 0 FGADRP C[C@H](C[NH2+][C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@H]1C)Oc1ccccc1F ZINC000366212151 498825577 /nfs/dbraw/zinc/82/55/77/498825577.db2.gz UKNHSOXZBXVJIJ-YWTNHNAXSA-N 2 0 350.478 3.072 20 0 FGADRP C[C@@H]1C[C@@H](NC(=O)Nc2ccc3c(c2)C[NH2+]C3)CC[N@@H+]1Cc1ccccc1 ZINC000570145949 506101381 /nfs/dbraw/zinc/10/13/81/506101381.db2.gz VDVYRIQFNDFZHQ-IERDGZPVSA-N 2 0 364.493 3.464 20 0 FGADRP CC(C)[C@@H]1OCCC[C@@H]1Nc1cc(N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)ncn1 ZINC000332991913 498860040 /nfs/dbraw/zinc/86/00/40/498860040.db2.gz ABWTWSXDYPNQRM-UGNRZPKXSA-N 2 0 373.545 3.013 20 0 FGADRP Cc1ccccc1[C@@H]([NH3+])C(=O)Nc1cccc([C@H](C)N2CCOCC2)c1 ZINC000295009465 498878909 /nfs/dbraw/zinc/87/89/09/498878909.db2.gz IUPMOWMOAGBELH-OXJNMPFZSA-N 2 0 353.466 3.027 20 0 FGADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+][C@H]3CCO[C@H](c4cncn4C)C3)CC2)C1 ZINC000328630306 498881344 /nfs/dbraw/zinc/88/13/44/498881344.db2.gz JFDOLJWSLMVYCJ-SAJDGTNDSA-N 2 0 360.546 3.273 20 0 FGADRP COCc1ccc(C[N@H+](C)C[C@@H]2CCCN(C)[C@H]2c2cnn(C)c2)cc1 ZINC000328641722 498886428 /nfs/dbraw/zinc/88/64/28/498886428.db2.gz QTKLJWWTBUBQDB-PZJWPPBQSA-N 2 0 356.514 3.081 20 0 FGADRP C[C@@H](NCc1ncc(C(F)(F)F)cn1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000295040308 498889458 /nfs/dbraw/zinc/88/94/58/498889458.db2.gz ORURJRCVTKOSTA-GDBMZVCRSA-N 2 0 364.415 3.496 20 0 FGADRP O=C(Nc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)cc1)c1ccncc1 ZINC000581997016 506109456 /nfs/dbraw/zinc/10/94/56/506109456.db2.gz DBYMVKDNSCLAPU-NJDAHSKKSA-N 2 0 364.493 3.344 20 0 FGADRP C[C@H]([NH2+]CCc1nc2ccccc2c(=O)[nH]1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000333129306 498908411 /nfs/dbraw/zinc/90/84/11/498908411.db2.gz JJSOIEUPVDYPQE-HOTGVXAUSA-N 2 0 354.498 3.121 20 0 FGADRP C[C@H]([NH2+]CCc1nc2ccccc2c(=O)[nH]1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000333129314 498909422 /nfs/dbraw/zinc/90/94/22/498909422.db2.gz JJSOIEUPVDYPQE-JKSUJKDBSA-N 2 0 354.498 3.121 20 0 FGADRP CN1CCC([NH+]2CCC(CC[NH2+]Cc3cccnc3Cl)CC2)CC1 ZINC000363664240 498932639 /nfs/dbraw/zinc/93/26/39/498932639.db2.gz XAGUQLODUYWJAK-UHFFFAOYSA-N 2 0 350.938 3.021 20 0 FGADRP CSc1ccc([C@H](C)[NH2+][C@H]2CCN(C3CC[NH+](C)CC3)C2)cc1F ZINC000363782537 498989597 /nfs/dbraw/zinc/98/95/97/498989597.db2.gz IBKIIOIELOFVAQ-HOCLYGCPSA-N 2 0 351.535 3.367 20 0 FGADRP C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000288360362 499003522 /nfs/dbraw/zinc/00/35/22/499003522.db2.gz KPQWDZSCMJMAPV-TZIWHRDSSA-N 2 0 369.553 3.374 20 0 FGADRP CCOc1cc(C[NH2+]Cc2ccncc2OCCC[NH+](C)C)ccc1OC ZINC000288422730 499020565 /nfs/dbraw/zinc/02/05/65/499020565.db2.gz BBDAZQYZVWBEOO-UHFFFAOYSA-N 2 0 373.497 3.109 20 0 FGADRP CC(C)(O)C[N@@H+]1CCc2c(cccc2NC2CC[NH+](C(C)(C)C)CC2)C1 ZINC000363867462 499032129 /nfs/dbraw/zinc/03/21/29/499032129.db2.gz YOVUNYANGWJDRQ-UHFFFAOYSA-N 2 0 359.558 3.490 20 0 FGADRP COc1ccc(C(=O)Nc2cccc(C[NH2+]CCCC[NH+](C)C)c2)cc1 ZINC000299362224 499036925 /nfs/dbraw/zinc/03/69/25/499036925.db2.gz VPPVNMBPPUXWCO-UHFFFAOYSA-N 2 0 355.482 3.379 20 0 FGADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+][C@H](CO)C[C@@H](O)C(C)(C)C)CC1 ZINC000284353187 499093840 /nfs/dbraw/zinc/09/38/40/499093840.db2.gz YTCIDWGUUGEBCM-KWJLTHHISA-N 2 0 362.558 3.177 20 0 FGADRP CC(C)(C)OC(=O)N1CCC2(CC[N@H+](CCC[NH+]3CCCC3)C2)CC1 ZINC000364074115 499108330 /nfs/dbraw/zinc/10/83/30/499108330.db2.gz SFXFOVQKPKCSNN-UHFFFAOYSA-N 2 0 351.535 3.195 20 0 FGADRP COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+]C2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)cc1 ZINC000284525634 499120077 /nfs/dbraw/zinc/12/00/77/499120077.db2.gz WWLPWBDTELPOKT-OKXHKQLBSA-N 2 0 358.526 3.155 20 0 FGADRP CC(C)[C@H](C[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1)c1ccccc1 ZINC000570279937 506131960 /nfs/dbraw/zinc/13/19/60/506131960.db2.gz RQMGUYKYAYWZAA-SESVDKBCSA-N 2 0 357.542 3.006 20 0 FGADRP C[C@H]1CCCC[C@@H]1NC(=O)NCCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000370026821 499168325 /nfs/dbraw/zinc/16/83/25/499168325.db2.gz MAUWWZPWZYCVPH-PXNSSMCTSA-N 2 0 364.578 3.061 20 0 FGADRP CC(C)n1cc(C[NH+]2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)nn1 ZINC000367300163 499176006 /nfs/dbraw/zinc/17/60/06/499176006.db2.gz LUAOKTLTXQAZQA-UHFFFAOYSA-N 2 0 353.514 3.347 20 0 FGADRP C[N@@H+]1CCCC[C@@H]1CC[NH+]1C[C@H]2CCC[C@@]2(c2nc(CC3CC3)no2)C1 ZINC000372850835 499184178 /nfs/dbraw/zinc/18/41/78/499184178.db2.gz DDXGMDDRRSGZCW-DBXWQHBBSA-N 2 0 358.530 3.250 20 0 FGADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC(NCCC[N@@H+]2CCCO[C@H](C)C2)CC1 ZINC000372867399 499186872 /nfs/dbraw/zinc/18/68/72/499186872.db2.gz COXFWRLDPMTLJU-SBHAEUEKSA-N 2 0 351.579 3.120 20 0 FGADRP O=C(NCc1nccn1CCCc1ccccc1)[C@@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC000370241268 499200986 /nfs/dbraw/zinc/20/09/86/499200986.db2.gz CFKVDMJUDNRWEO-WOJBJXKFSA-N 2 0 366.509 3.007 20 0 FGADRP C[C@@H](CCNC(=O)N1CCCC12CC[NH+](C)CC2)[N@H+](C)Cc1ccccc1 ZINC000367467498 499202598 /nfs/dbraw/zinc/20/25/98/499202598.db2.gz PTFUJLSAJBUGMR-IBGZPJMESA-N 2 0 372.557 3.167 20 0 FGADRP CCC[C@H]1C[C@H]1NC(=O)N(C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000370262825 499203294 /nfs/dbraw/zinc/20/32/94/499203294.db2.gz YRJLTQPXVSXJOO-AZUAARDMSA-N 2 0 364.578 3.013 20 0 FGADRP COc1ccc([C@@H](C)[NH2+][C@@H](CN2CC[NH+](C)CC2)c2ccccc2)cc1O ZINC000579295050 506138431 /nfs/dbraw/zinc/13/84/31/506138431.db2.gz IBOCDVYDIBREFD-XLIONFOSSA-N 2 0 369.509 3.040 20 0 FGADRP COc1ccc(Cl)cc1[C@@H](C)[NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000370633980 499237743 /nfs/dbraw/zinc/23/77/43/499237743.db2.gz JNBMCSQVIBOTFM-ZBFHGGJFSA-N 2 0 351.922 3.168 20 0 FGADRP COc1cccc2c1CC[C@@H]2[NH2+]CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000370663882 499241380 /nfs/dbraw/zinc/24/13/80/499241380.db2.gz ZFYFCLFXQMJYMI-QFIPXVFZSA-N 2 0 371.569 3.468 20 0 FGADRP C[C@@H]1C[N@H+](Cc2cccc(-c3cccnc3)c2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000370705831 499246444 /nfs/dbraw/zinc/24/64/44/499246444.db2.gz JOFWWFBXPGPUGM-AUSIDOKSSA-N 2 0 364.537 3.206 20 0 FGADRP Cn1cc([C@H]2[C@@H](C[NH2+]Cc3cc(F)c(F)cc3F)CCCN2C)cn1 ZINC000370715413 499247472 /nfs/dbraw/zinc/24/74/72/499247472.db2.gz SKHHXPHDZFKFMI-KZULUSFZSA-N 2 0 352.404 3.010 20 0 FGADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@H]1CCCOc2c3ccccc3ccc21 ZINC000370753920 499251676 /nfs/dbraw/zinc/25/16/76/499251676.db2.gz NGIZKNRYFPCECJ-UWJYYQICSA-N 2 0 353.510 3.279 20 0 FGADRP COCCn1cc2c(n1)[C@H](NC1CC[NH+](C3CCCCC3)CC1)CCC2 ZINC000368187719 499272689 /nfs/dbraw/zinc/27/26/89/499272689.db2.gz IAOADLHNCXJOOY-HXUWFJFHSA-N 2 0 360.546 3.294 20 0 FGADRP COc1ccc2c(c1)OCCC[C@@H]2NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000368212646 499274421 /nfs/dbraw/zinc/27/44/21/499274421.db2.gz PHBBSWLIHGPGIX-PWRODBHTSA-N 2 0 374.525 3.266 20 0 FGADRP CN(Cc1ccc2c(c1)COC(C)(C)O2)C1CC[NH+](C2CCOCC2)CC1 ZINC000368366970 499289446 /nfs/dbraw/zinc/28/94/46/499289446.db2.gz KFKHTUPYYHNHLU-UHFFFAOYSA-N 2 0 374.525 3.407 20 0 FGADRP C[N@@H+]1CC[C@@H](C[NH2+]C2CCN(C(=O)c3ccoc3)CC2)[C@H]1c1ccccc1 ZINC000371329799 499311289 /nfs/dbraw/zinc/31/12/89/499311289.db2.gz NVUYIDQUZONUSP-GHTZIAJQSA-N 2 0 367.493 3.167 20 0 FGADRP COc1ccc(C[NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)c(F)c1 ZINC000570336810 506144209 /nfs/dbraw/zinc/14/42/09/506144209.db2.gz JZCQFBMPTAHVFM-UHFFFAOYSA-N 2 0 358.457 3.081 20 0 FGADRP Cc1ccc(OCCC[N@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)cc1C ZINC000369397997 499399634 /nfs/dbraw/zinc/39/96/34/499399634.db2.gz KXZIPICTQXZFOA-NRFANRHFSA-N 2 0 359.558 3.173 20 0 FGADRP C[C@H]([NH2+][C@H]1CCN(c2ncccc2F)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000373448434 499470345 /nfs/dbraw/zinc/47/03/45/499470345.db2.gz LEUAFKXRJNTWNL-IHPCNDPISA-N 2 0 368.500 3.300 20 0 FGADRP COc1ccc2oc(C[NH+]3CCC(C)(C[NH+]4CCN(C)CC4)CC3)cc2c1 ZINC000375246679 499499111 /nfs/dbraw/zinc/49/91/11/499499111.db2.gz XRBAVSWMQQQJQF-UHFFFAOYSA-N 2 0 371.525 3.291 20 0 FGADRP C[N@H+](C[C@H]1CC12CC[NH+](Cc1cc(F)cc3c1OCOC3)CC2)C1CC1 ZINC000378355355 499506338 /nfs/dbraw/zinc/50/63/38/499506338.db2.gz KDIOKAJJBGZBOU-QGZVFWFLSA-N 2 0 360.473 3.389 20 0 FGADRP COc1cc(C[NH2+][C@@H]2CCN(Cc3ccccc3)[C@H]2C)cc2c1OCO2 ZINC000389416766 499552537 /nfs/dbraw/zinc/55/25/37/499552537.db2.gz MPKSJQSNXUJCKA-MAUKXSAKSA-N 2 0 354.450 3.177 20 0 FGADRP CN1CC[C@@H](C[N@H+](C)CCc2nc3ccccc3n2C)[C@@H]1c1cccnc1 ZINC000375778967 499555023 /nfs/dbraw/zinc/55/50/23/499555023.db2.gz KOVLWDYOJQIXFJ-AVRDEDQJSA-N 2 0 363.509 3.136 20 0 FGADRP CC(C)c1nccn1[C@H]1CCCN(CC(=O)NCc2ccc(F)cc2)C1 ZINC000375785225 499555563 /nfs/dbraw/zinc/55/55/63/499555563.db2.gz AYFJEALKTFQMDO-SFHVURJKSA-N 2 0 358.461 3.099 20 0 FGADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+]CCCOC[C@@H]2CCOC2)CC1 ZINC000375855607 499562630 /nfs/dbraw/zinc/56/26/30/499562630.db2.gz BCUPICKFLGFLBG-HWELCPFYSA-N 2 0 360.542 3.462 20 0 FGADRP OC1(C[NH2+][C@H]2CCc3c2cccc3F)CC[NH+](Cc2ccccc2)CC1 ZINC000397498590 499564131 /nfs/dbraw/zinc/56/41/31/499564131.db2.gz SWKFNAOUPMHVNE-NRFANRHFSA-N 2 0 354.469 3.430 20 0 FGADRP C[C@H](CC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)[C@@H]1CCC[NH2+]C1 ZINC000398076365 499566144 /nfs/dbraw/zinc/56/61/44/499566144.db2.gz QSXUHKGIOVVICX-VURPSTOHSA-N 2 0 357.542 3.039 20 0 FGADRP CC(C)(C)OC(=O)NC1CCC([NH2+]C2CC([NH+]3CCCCC3)C2)CC1 ZINC000376020374 499576688 /nfs/dbraw/zinc/57/66/88/499576688.db2.gz FXBUSXIBTORQSL-UHFFFAOYSA-N 2 0 351.535 3.429 20 0 FGADRP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)NCC[NH+]1CCCCC1 ZINC000410352032 499656971 /nfs/dbraw/zinc/65/69/71/499656971.db2.gz HDNPFSZDXSLQDO-IBGZPJMESA-N 2 0 372.557 3.346 20 0 FGADRP CC[NH+](CC)CCOc1ccccc1NC(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000377168042 499667587 /nfs/dbraw/zinc/66/75/87/499667587.db2.gz HXOQEXYVQSFQDI-QZTJIDSGSA-N 2 0 374.529 3.156 20 0 FGADRP CN1CC[C@@H](C[NH2+]Cc2c[nH]nc2-c2ccc(F)cc2)[C@@H]1c1cccnc1 ZINC000377298638 499677822 /nfs/dbraw/zinc/67/78/22/499677822.db2.gz OLKLMKWIXVKPHQ-UWJYYQICSA-N 2 0 365.456 3.393 20 0 FGADRP CC[NH+](CC)CC1CC[NH+](C[C@H](O)COc2ccc(SC)cc2)CC1 ZINC000411172914 499706296 /nfs/dbraw/zinc/70/62/96/499706296.db2.gz KEPVDBIPCAQOFS-SFHVURJKSA-N 2 0 366.571 3.202 20 0 FGADRP CCC[NH+]1CCN(C2CC[NH+](CCCOc3ccccc3C)CC2)CC1 ZINC000377593144 499707910 /nfs/dbraw/zinc/70/79/10/499707910.db2.gz LAWFHNTZIHNUQU-UHFFFAOYSA-N 2 0 359.558 3.256 20 0 FGADRP COc1cc(C[NH2+]C[C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)cc(OC)c1O ZINC000377617293 499711133 /nfs/dbraw/zinc/71/11/33/499711133.db2.gz AJNNIDHAXVMRSC-YLJYHZDGSA-N 2 0 356.466 3.192 20 0 FGADRP CNC(=O)c1ccc(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)cc1 ZINC000377757842 499729286 /nfs/dbraw/zinc/72/92/86/499729286.db2.gz GFFXPUKUASDQKP-FGZHOGPDSA-N 2 0 363.505 3.000 20 0 FGADRP COc1ccc(C[C@@H](C)[NH2+]Cc2ccc(OC3CC[NH+](C)CC3)cc2)cn1 ZINC000414126774 499762675 /nfs/dbraw/zinc/76/26/75/499762675.db2.gz FJKCENONPSLRBH-QGZVFWFLSA-N 2 0 369.509 3.284 20 0 FGADRP NC(=O)[C@H]1CCC[N@H+](CCC[NH2+]CC2CCC(c3ccccc3)CC2)C1 ZINC000582208194 506158416 /nfs/dbraw/zinc/15/84/16/506158416.db2.gz LACNJFFSJQAPLO-MNLRITNHSA-N 2 0 357.542 3.137 20 0 FGADRP C[C@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)c1ccc(OCc2nccn2C)cc1 ZINC000414189755 499767215 /nfs/dbraw/zinc/76/72/15/499767215.db2.gz RHKSWWOBDGIMEG-ZWKOTPCHSA-N 2 0 356.514 3.382 20 0 FGADRP C[C@H]1C[N@@H+](C2CCOCC2)CCN1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411656195 499773622 /nfs/dbraw/zinc/77/36/22/499773622.db2.gz PUQYSNUAMWGCHX-FQEVSTJZSA-N 2 0 371.569 3.358 20 0 FGADRP C[C@@H]([NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1)c1ccccc1N(C)C ZINC000414292038 499774847 /nfs/dbraw/zinc/77/48/47/499774847.db2.gz ADYHZNQKJSTSBO-LJQANCHMSA-N 2 0 367.537 3.430 20 0 FGADRP OC[C@@]1([C@@H]([NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)C2CC2)CCCO1 ZINC000411775494 499789312 /nfs/dbraw/zinc/78/93/12/499789312.db2.gz XXUOURLXODRYAV-FCHUYYIVSA-N 2 0 358.526 3.082 20 0 FGADRP O[C@@H]([C@@H]1CC[N@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1)C(F)(F)F ZINC000411798833 499791956 /nfs/dbraw/zinc/79/19/56/499791956.db2.gz JQANEXUZYYQDHC-MSOLQXFVSA-N 2 0 356.432 3.418 20 0 FGADRP C[C@H]1CCC[C@H](C[NH2+]Cc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)C1 ZINC000414556171 499808299 /nfs/dbraw/zinc/80/82/99/499808299.db2.gz NTQHMINZIRIMFN-PXNSSMCTSA-N 2 0 357.542 3.300 20 0 FGADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CC3(CCOCC3)[C@@H]2c2ccccc2)CC1 ZINC000412013356 499812875 /nfs/dbraw/zinc/81/28/75/499812875.db2.gz NVQRMPDLQGTLPY-QFIPXVFZSA-N 2 0 371.569 3.256 20 0 FGADRP [NH3+]C1(c2noc([C@@]34CCC[C@@H]3C[N@H+](Cc3ccccc3)C4)n2)CCCC1 ZINC000414629199 499815427 /nfs/dbraw/zinc/81/54/27/499815427.db2.gz QBWMZPRRUINRQE-YLJYHZDGSA-N 2 0 352.482 3.351 20 0 FGADRP CC(C)(C)c1ccc([C@@H]2CCC[N@@H+]2C[C@@H]2CCCN(C(=O)C[NH3+])C2)cc1 ZINC000414679878 499820016 /nfs/dbraw/zinc/82/00/16/499820016.db2.gz SHCUFWYZGSRQDW-PXNSSMCTSA-N 2 0 357.542 3.318 20 0 FGADRP [NH3+]CC(=O)N1CCC[C@H](C[N@@H+]2CCCCC[C@H]2/C=C\c2ccccc2)C1 ZINC000414715277 499822204 /nfs/dbraw/zinc/82/22/04/499822204.db2.gz WINLPDHVKFMZFG-QFRKBEELSA-N 2 0 355.526 3.142 20 0 FGADRP CCN(Cc1cc(Br)cc2c1OCC2)[C@@H]1CCC[NH2+]CC1 ZINC000414718869 499822454 /nfs/dbraw/zinc/82/24/54/499822454.db2.gz SVEPAHVMTFPZMU-MRXNPFEDSA-N 2 0 353.304 3.348 20 0 FGADRP C[C@H]1C[C@H](C[NH+]2CCN(Cc3csc(-c4ccccc4)n3)CC2)CC[NH2+]1 ZINC000414749413 499826482 /nfs/dbraw/zinc/82/64/82/499826482.db2.gz PUBJCKOIZNNKTE-ZWKOTPCHSA-N 2 0 370.566 3.316 20 0 FGADRP COc1cc(OC)cc(C2(F)CC[NH+](C[C@H]3CC[NH2+][C@H](C)C3)CC2)c1 ZINC000414760178 499827534 /nfs/dbraw/zinc/82/75/34/499827534.db2.gz GNJPQAJGHZBNND-CVEARBPZSA-N 2 0 350.478 3.353 20 0 FGADRP Clc1cc(C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc2c1OCCCO2 ZINC000414784257 499830711 /nfs/dbraw/zinc/83/07/11/499830711.db2.gz RAVSTQVAOUFKPT-HZPDHXFCSA-N 2 0 350.890 3.323 20 0 FGADRP Cc1ccc(C[NH+]2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)cc1Br ZINC000414784573 499831166 /nfs/dbraw/zinc/83/11/66/499831166.db2.gz IMEBEEWFXBNJHJ-SJORKVTESA-N 2 0 353.304 3.086 20 0 FGADRP [NH3+][C@@H]1CCO[C@H]1C1CCN(Cc2cc(Cl)ccc2OC(F)F)CC1 ZINC000414791107 499831517 /nfs/dbraw/zinc/83/15/17/499831517.db2.gz QHOLPJTUWXEASE-ZBFHGGJFSA-N 2 0 360.832 3.270 20 0 FGADRP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](Cc2c[nH]nc2-c2ccc(Cl)cc2)CC1 ZINC000414795434 499832153 /nfs/dbraw/zinc/83/21/53/499832153.db2.gz WTYXWIDEESTRSF-MJGOQNOKSA-N 2 0 360.889 3.058 20 0 FGADRP Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000414828228 499834928 /nfs/dbraw/zinc/83/49/28/499834928.db2.gz IMJJGTOTJWGCBQ-CQSZACIVSA-N 2 0 363.303 3.032 20 0 FGADRP COc1ccc(C(=O)Nc2cccc(C[NH2+]CC[C@H]3CC[NH2+]C3)c2)cc1 ZINC000414840589 499836363 /nfs/dbraw/zinc/83/63/63/499836363.db2.gz XHCYGMKTWJTUCK-MRXNPFEDSA-N 2 0 353.466 3.037 20 0 FGADRP C[C@H]([NH2+]Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1)[C@H]1CCC[NH2+]C1 ZINC000414848253 499837295 /nfs/dbraw/zinc/83/72/95/499837295.db2.gz GEOZHUAFUFYLJL-ZFWWWQNUSA-N 2 0 352.404 3.369 20 0 FGADRP C[C@@H]([NH2+]Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1)[C@H]1CCC[NH2+]C1 ZINC000414848251 499837488 /nfs/dbraw/zinc/83/74/88/499837488.db2.gz GEOZHUAFUFYLJL-HIFRSBDPSA-N 2 0 352.404 3.369 20 0 FGADRP CCOc1cc(C[NH2+][C@H](C)[C@H]2CCC[NH2+]C2)cc(Br)c1OC ZINC000414857634 499838635 /nfs/dbraw/zinc/83/86/35/499838635.db2.gz PWEJDGDCRUILRU-OCCSQVGLSA-N 2 0 371.319 3.334 20 0 FGADRP CCc1ccccc1[C@H]([NH3+])CNC(=O)Nc1cccc(OCC[NH+](C)C)c1 ZINC000414877023 499840327 /nfs/dbraw/zinc/84/03/27/499840327.db2.gz FGIDDQCXDQFSHR-HXUWFJFHSA-N 2 0 370.497 3.011 20 0 FGADRP C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]CC1(C)CC[NH2+]CC1 ZINC000414912632 499843835 /nfs/dbraw/zinc/84/38/35/499843835.db2.gz VMCRAYMXCJKCGR-ZDUSSCGKSA-N 2 0 368.319 3.146 20 0 FGADRP COCC1(C[NH2+]Cc2ccc(-n3cnc4ccccc43)cc2)CC[NH2+]CC1 ZINC000414941566 499847059 /nfs/dbraw/zinc/84/70/59/499847059.db2.gz ATXKVBUOJFHJKQ-UHFFFAOYSA-N 2 0 364.493 3.131 20 0 FGADRP C[C@@H]1CN(C(=O)c2cccc(C[NH+]3CCCCC3)c2)CC[N@@H+](C2CC2)C1 ZINC000412359805 499848642 /nfs/dbraw/zinc/84/86/42/499848642.db2.gz CVFXZLWLUDQNKJ-SFHVURJKSA-N 2 0 355.526 3.229 20 0 FGADRP C[C@H]1CN(C(=O)CC[C@H]2CCCC[NH+]2C)CC[N@H+](Cc2ccccc2)C1 ZINC000412382243 499850415 /nfs/dbraw/zinc/85/04/15/499850415.db2.gz CGXWKQBWQPHVSF-TZIWHRDSSA-N 2 0 357.542 3.231 20 0 FGADRP COCC1(C[NH2+][C@@H](C)CCc2ccc(OC(F)F)cc2)CC[NH2+]CC1 ZINC000414978851 499851037 /nfs/dbraw/zinc/85/10/37/499851037.db2.gz UBQPBGUUFVEHBQ-HNNXBMFYSA-N 2 0 356.457 3.215 20 0 FGADRP CCOc1c(Br)cc(C[NH2+]C[C@@H]2CCC[C@H]([NH3+])C2)cc1OC ZINC000414990728 499852372 /nfs/dbraw/zinc/85/23/72/499852372.db2.gz JABUYNIEOYUGIP-OCCSQVGLSA-N 2 0 371.319 3.464 20 0 FGADRP COCCOc1ccc(C[NH2+]C[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)cc1 ZINC000414997341 499853053 /nfs/dbraw/zinc/85/30/53/499853053.db2.gz HFLGTJIRBRMVNF-SIKLNZKXSA-N 2 0 372.484 3.334 20 0 FGADRP COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]C[C@H]1CCC[C@H]([NH3+])C1 ZINC000414997152 499853282 /nfs/dbraw/zinc/85/32/82/499853282.db2.gz HEAQGWMMJVORND-YDHLFZDLSA-N 2 0 353.894 3.173 20 0 FGADRP C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000415009933 499854641 /nfs/dbraw/zinc/85/46/41/499854641.db2.gz OQNBJFPHNKAVPB-DKSSEZFCSA-N 2 0 363.933 3.055 20 0 FGADRP COc1cccc(NC(=O)C[C@H](C)[NH2+][C@H](CCC[NH3+])c2ccccc2)c1 ZINC000415055836 499859188 /nfs/dbraw/zinc/85/91/88/499859188.db2.gz OYZFVOWOTQCCOJ-OXJNMPFZSA-N 2 0 355.482 3.482 20 0 FGADRP Cc1cccn2cc(COc3ccc(C[NH2+]CCC[NH2+]C4CC4)cc3)nc12 ZINC000415071399 499860487 /nfs/dbraw/zinc/86/04/87/499860487.db2.gz TUBIOANLWNKZGC-UHFFFAOYSA-N 2 0 364.493 3.453 20 0 FGADRP O=c1ccccn1Cc1ccc(C[NH2+][C@@H]2CCN[C@H](c3ccccc3)C2)cc1 ZINC000415080507 499861551 /nfs/dbraw/zinc/86/15/51/499861551.db2.gz LTZCDGRNFXGRPM-PKTZIBPZSA-N 2 0 373.500 3.480 20 0 FGADRP CC[C@H](C(=O)N1CCC([NH2+][C@@H](C)C[C@H]2CCC[NH2+]2)CC1)c1ccccc1 ZINC000415099326 499863294 /nfs/dbraw/zinc/86/32/94/499863294.db2.gz GTCFOVGIDKTONH-WMQCIHAUSA-N 2 0 357.542 3.291 20 0 FGADRP CSc1ccccc1OC[C@H](O)C[N@H+](C[C@H]1CC[NH2+][C@@H](C)C1)C(C)C ZINC000415120663 499866132 /nfs/dbraw/zinc/86/61/32/499866132.db2.gz JAHDTTDRGKTEMG-OKZBNKHCSA-N 2 0 366.571 3.247 20 0 FGADRP NC1(C[NH2+]Cc2ccc3ncccc3c2)CC[NH+](Cc2ccccc2)CC1 ZINC000415125385 499866755 /nfs/dbraw/zinc/86/67/55/499866755.db2.gz DROXIYNQWRYNIA-UHFFFAOYSA-N 2 0 360.505 3.318 20 0 FGADRP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](Cc2cc(Br)cs2)CC1 ZINC000415137785 499869083 /nfs/dbraw/zinc/86/90/83/499869083.db2.gz YLDNXCTZGZKJKH-CABCVRRESA-N 2 0 359.333 3.229 20 0 FGADRP CC[NH+](CC)CCOc1ccc(NC(=O)N[C@@H](C[NH3+])C2CCCC2)cc1 ZINC000415180001 499874031 /nfs/dbraw/zinc/87/40/31/499874031.db2.gz KQPZCHXQRYVKRT-IBGZPJMESA-N 2 0 362.518 3.046 20 0 FGADRP O[C@@H](C[NH2+]C1CC[NH+](C2CCC2)CC1)COc1ccccc1C(F)(F)F ZINC000576460560 506163864 /nfs/dbraw/zinc/16/38/64/506163864.db2.gz VBULFOMWIGZJAB-INIZCTEOSA-N 2 0 372.431 3.052 20 0 FGADRP C[NH+](C)CCc1ccccc1NC(=O)N1CCCC[C@H]1[C@H]1CCC[NH2+]C1 ZINC000415561116 499902276 /nfs/dbraw/zinc/90/22/76/499902276.db2.gz GHGHVLWURRXYMN-ICSRJNTNSA-N 2 0 358.530 3.177 20 0 FGADRP C[NH2+]Cc1cccc(NC(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)c1 ZINC000415918246 499928265 /nfs/dbraw/zinc/92/82/65/499928265.db2.gz KOVUZGPQFHRBMD-FQEVSTJZSA-N 2 0 366.509 3.092 20 0 FGADRP C[NH2+]Cc1cccc(NC(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2C)c1 ZINC000415916601 499928298 /nfs/dbraw/zinc/92/82/98/499928298.db2.gz HPXHMUPWCDVXAG-UHFFFAOYSA-N 2 0 367.497 3.110 20 0 FGADRP CC[NH2+]Cc1cccc(NC(=O)NCCC[N@@H+]2CCc3ccccc3C2)c1 ZINC000415927586 499929421 /nfs/dbraw/zinc/92/94/21/499929421.db2.gz DDICJOWTAYVFFH-UHFFFAOYSA-N 2 0 366.509 3.366 20 0 FGADRP C[NH2+]Cc1cccc(NC(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000415935993 499930413 /nfs/dbraw/zinc/93/04/13/499930413.db2.gz UTIPISIIULLJFF-OXQOHEQNSA-N 2 0 352.482 3.048 20 0 FGADRP CC[NH2+]Cc1ccccc1NC(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC000415940089 499931058 /nfs/dbraw/zinc/93/10/58/499931058.db2.gz DLSBPAYDQXANJT-IBGZPJMESA-N 2 0 358.461 3.360 20 0 FGADRP C[NH2+]Cc1cccc(NC(=O)N[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)c1 ZINC000415942218 499931228 /nfs/dbraw/zinc/93/12/28/499931228.db2.gz IRMNUNWPLVADFA-UZLBHIALSA-N 2 0 352.482 3.191 20 0 FGADRP CC[NH2+]Cc1ccccc1NC(=O)NC[C@H](c1cccc(OC)c1)[NH+](C)C ZINC000415945548 499931783 /nfs/dbraw/zinc/93/17/83/499931783.db2.gz RIFZDZNRLOCQBA-HXUWFJFHSA-N 2 0 370.497 3.229 20 0 FGADRP [NH3+]CCOc1ccc(NC(=O)NCC[NH+]2CCC3(CCCCC3)CC2)cc1 ZINC000415944946 499931805 /nfs/dbraw/zinc/93/18/05/499931805.db2.gz KCJZOAKSXYYISR-UHFFFAOYSA-N 2 0 374.529 3.192 20 0 FGADRP CC1CCC([NH+]2CCN(C(=O)Nc3ccc4c(c3F)CC[NH2+]C4)CC2)CC1 ZINC000415956620 499933206 /nfs/dbraw/zinc/93/32/06/499933206.db2.gz OHUOSEZSZVIYSV-UHFFFAOYSA-N 2 0 374.504 3.200 20 0 FGADRP C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000415960917 499933866 /nfs/dbraw/zinc/93/38/66/499933866.db2.gz CNUKUPZGGQMBFZ-LRDDRELGSA-N 2 0 370.419 3.255 20 0 FGADRP C[NH2+]Cc1ccc(NC(=O)NC[C@@H](c2ccc(C)o2)[NH+]2CCCC2)cc1 ZINC000415974852 499936365 /nfs/dbraw/zinc/93/63/65/499936365.db2.gz RRXYYEACDLNWJG-SFHVURJKSA-N 2 0 356.470 3.266 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000415979488 499936786 /nfs/dbraw/zinc/93/67/86/499936786.db2.gz QXKOBBAIBJYQPS-HXUWFJFHSA-N 2 0 367.497 3.059 20 0 FGADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)N(CCC[NH3+])Cc2ccccc2)C1 ZINC000417033039 499953064 /nfs/dbraw/zinc/95/30/64/499953064.db2.gz FKZDTUDTXWZWNK-LJQANCHMSA-N 2 0 360.546 3.059 20 0 FGADRP C[NH2+]CCc1ccccc1C(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000582243218 506167511 /nfs/dbraw/zinc/16/75/11/506167511.db2.gz FQFAELRTBUXHKM-QGZVFWFLSA-N 2 0 371.550 3.152 20 0 FGADRP CN(CCC[N@H+](C)Cc1ccco1)C(=O)CC[NH+]1CCc2ccccc2C1 ZINC000416235073 499989540 /nfs/dbraw/zinc/98/95/40/499989540.db2.gz RIJKPQMPZSTNDN-UHFFFAOYSA-N 2 0 369.509 3.008 20 0 FGADRP CC(C)CCC[NH+]1CCC(C(=O)NCC[N@H+](C)Cc2ccccc2)CC1 ZINC000429047288 499995292 /nfs/dbraw/zinc/99/52/92/499995292.db2.gz PKBHFQFOHSEXOW-UHFFFAOYSA-N 2 0 359.558 3.383 20 0 FGADRP C[NH+](C)CCN(Cc1ccsc1)C(=O)CC[N@@H+]1CCc2ccccc2C1 ZINC000416254861 499996607 /nfs/dbraw/zinc/99/66/07/499996607.db2.gz VZIQVQSHLNRFIS-UHFFFAOYSA-N 2 0 371.550 3.087 20 0 FGADRP C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC000582250011 506169389 /nfs/dbraw/zinc/16/93/89/506169389.db2.gz GGHKTGSOFGABDJ-LVCYWYKZSA-N 2 0 357.542 3.268 20 0 FGADRP C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000413624264 500006268 /nfs/dbraw/zinc/00/62/68/500006268.db2.gz JHTGGKIOHBIURA-NHCUHLMSSA-N 2 0 355.526 3.229 20 0 FGADRP C[NH+](C)C1(CNC(=O)c2cccc(C[N@H+](C)Cc3ccccc3)c2)CC1 ZINC000416302582 500009622 /nfs/dbraw/zinc/00/96/22/500009622.db2.gz OXVXAHWFIYNWTR-UHFFFAOYSA-N 2 0 351.494 3.143 20 0 FGADRP C[N@H+](Cc1ccccc1CNC(=O)NC[C@H]1CCC[NH2+]1)C1CCCCC1 ZINC000417225812 500011204 /nfs/dbraw/zinc/01/12/04/500011204.db2.gz STSSIPSLKVEDEP-LJQANCHMSA-N 2 0 358.530 3.002 20 0 FGADRP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N[C@@H](CCC[NH3+])c1ccccc1 ZINC000417256442 500020096 /nfs/dbraw/zinc/02/00/96/500020096.db2.gz SDSOELNZQCFGQQ-DMUMMCEESA-N 2 0 360.546 3.132 20 0 FGADRP C[C@H](CCCCN1C(=O)c2ccccc2C1=O)[NH2+]C1CCC([NH+](C)C)CC1 ZINC000421380646 500032100 /nfs/dbraw/zinc/03/21/00/500032100.db2.gz YSNIRKOYURKAEE-WWDZGPRUSA-N 2 0 371.525 3.304 20 0 FGADRP CCC[C@@H]([NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1)[C@@H]1CC1(C)C ZINC000417304913 500035503 /nfs/dbraw/zinc/03/55/03/500035503.db2.gz FXBNACHWEWFFIA-RBUKOAKNSA-N 2 0 359.562 3.183 20 0 FGADRP CCc1ccccc1[C@H]([NH3+])CNC(=O)NC[C@@H](c1ccco1)[NH+](CC)CC ZINC000417310164 500036442 /nfs/dbraw/zinc/03/64/42/500036442.db2.gz JOIGKBROYMNFJI-MOPGFXCFSA-N 2 0 372.513 3.224 20 0 FGADRP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@@H]2CCN(CC(F)F)C2)CC1 ZINC000417381097 500054269 /nfs/dbraw/zinc/05/42/69/500054269.db2.gz ICBKEICIODECRG-VQIMIIECSA-N 2 0 351.485 3.011 20 0 FGADRP Cc1ccc([C@H](CNC(=O)NCC2([NH3+])CCCCCC2)[NH+]2CCCC2)o1 ZINC000417417587 500067552 /nfs/dbraw/zinc/06/75/52/500067552.db2.gz JOJHEGOBAFSXIY-KRWDZBQOSA-N 2 0 362.518 3.076 20 0 FGADRP C[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]C2CCN(c3cccnn3)CC2)CC1 ZINC000429416486 500074044 /nfs/dbraw/zinc/07/40/44/500074044.db2.gz DBDUHJYDWJJWEF-FXAWDEMLSA-N 2 0 357.546 3.078 20 0 FGADRP CCCN(C(=O)NCc1cccc(C[NH+]2CCC(C)CC2)c1)[C@H]1CC[NH2+]C1 ZINC000417473649 500083668 /nfs/dbraw/zinc/08/36/68/500083668.db2.gz ZIXWLRFULBOPRI-NRFANRHFSA-N 2 0 372.557 3.202 20 0 FGADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CC2(CCC2)[C@@H]1C1CCOCC1 ZINC000425367208 500086534 /nfs/dbraw/zinc/08/65/34/500086534.db2.gz BNSFBDCYBGDCAS-FQEVSTJZSA-N 2 0 352.482 3.357 20 0 FGADRP C[C@@H]([NH3+])c1ccc(CNC(=O)c2ccc(C[NH+]3CCSCC3)cc2)cc1 ZINC000429505404 500089737 /nfs/dbraw/zinc/08/97/37/500089737.db2.gz UHYQXOKTPNJSLM-MRXNPFEDSA-N 2 0 369.534 3.185 20 0 FGADRP COC(=O)[C@H](CC[NH2+][C@H]1CCN(C)[C@H]1c1ccccc1)c1ccccc1 ZINC000425448778 500109048 /nfs/dbraw/zinc/10/90/48/500109048.db2.gz VVICHEZYIOQTGI-HKBOAZHASA-N 2 0 352.478 3.368 20 0 FGADRP CN(CC[C@@H]1CCCC[N@@H+]1C)C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000429698914 500126031 /nfs/dbraw/zinc/12/60/31/500126031.db2.gz OJMROYATHLNMKE-VXKWHMMOSA-N 2 0 359.558 3.084 20 0 FGADRP CN(CC[C@H]1CCCC[N@@H+]1C)C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000429698916 500126368 /nfs/dbraw/zinc/12/63/68/500126368.db2.gz OJMROYATHLNMKE-YADHBBJMSA-N 2 0 359.558 3.084 20 0 FGADRP O=C(NCCC[C@H]1CCC[NH2+]1)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000416816194 500128054 /nfs/dbraw/zinc/12/80/54/500128054.db2.gz GYLBWQORSYPSRS-GOSISDBHSA-N 2 0 350.551 3.007 20 0 FGADRP C[NH+](C)C1(CNC(=O)N2CCC([C@@H]3[NH2+]CC3(C)C)CC2)CCCCCC1 ZINC000416843751 500136135 /nfs/dbraw/zinc/13/61/35/500136135.db2.gz ATLUPQITQRTNRR-SFHVURJKSA-N 2 0 364.578 3.061 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)N1CCC(CC[NH2+]C)CC1)c1ccccc1 ZINC000416848135 500137854 /nfs/dbraw/zinc/13/78/54/500137854.db2.gz WMPPDGGKCZTTBR-FQEVSTJZSA-N 2 0 360.546 3.101 20 0 FGADRP CC(C)(C)[C@@H](C[N@@H+]1CCc2ccccc2C1)NC(=O)NC1CCC([NH3+])CC1 ZINC000417675619 500146084 /nfs/dbraw/zinc/14/60/84/500146084.db2.gz CDTOVFIJIQTUEU-SOAGJPPSSA-N 2 0 372.557 3.029 20 0 FGADRP CCC(CC)(CNC(=O)NC[C@H]1CCC[NH2+]C1)[NH2+][C@@H](C)c1ccccc1 ZINC000417695339 500150119 /nfs/dbraw/zinc/15/01/19/500150119.db2.gz BDJCPBBXNQZJRP-ROUUACIJSA-N 2 0 360.546 3.195 20 0 FGADRP CCC(CC)[C@H](CNC(=O)N1CCC2(CC[NH2+]CC2)CC1)[NH+]1CCCC1 ZINC000416949615 500163940 /nfs/dbraw/zinc/16/39/40/500163940.db2.gz HJNMBCMIIKSXBO-IBGZPJMESA-N 2 0 364.578 3.062 20 0 FGADRP C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)N(C)CC(C)(C)C[NH3+])cc2)C1 ZINC000416965251 500168177 /nfs/dbraw/zinc/16/81/77/500168177.db2.gz DGACNRDXFTWVFG-KRWDZBQOSA-N 2 0 360.546 3.045 20 0 FGADRP CCc1ccc([C@@H](CN2CCOCC2)[NH2+]C2CCC([NH+](C)C)CC2)cc1 ZINC000421878575 500168307 /nfs/dbraw/zinc/16/83/07/500168307.db2.gz NNECZHWLNSWNIF-LZBANZJXSA-N 2 0 359.558 3.085 20 0 FGADRP CCCN(C(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1)[C@H]1CC[NH2+]C1 ZINC000416970120 500170194 /nfs/dbraw/zinc/17/01/94/500170194.db2.gz MTONODFEDALZRC-NQIIRXRSSA-N 2 0 372.557 3.202 20 0 FGADRP C[C@H]([NH3+])C1CCN(C(=O)NCc2ccc(C[NH+]3CCC(C)CC3)cc2)CC1 ZINC000416984152 500174870 /nfs/dbraw/zinc/17/48/70/500174870.db2.gz XSJCMJYAWOTIAP-SFHVURJKSA-N 2 0 372.557 3.187 20 0 FGADRP C[C@@H](CCCC[NH3+])NC(=O)NCc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000416987031 500176282 /nfs/dbraw/zinc/17/62/82/500176282.db2.gz JRPUFOIULDVKAY-OTWHNJEPSA-N 2 0 374.573 3.481 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)N3CC[C@](C)(C[NH3+])C3)cc2)C1 ZINC000416992892 500178232 /nfs/dbraw/zinc/17/82/32/500178232.db2.gz PMWHFPLEOWHRKS-KGVIQGDOSA-N 2 0 372.557 3.045 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000417828969 500179666 /nfs/dbraw/zinc/17/96/66/500179666.db2.gz QVXNVHONTSTBEM-DUXKGJEZSA-N 2 0 372.557 3.104 20 0 FGADRP [NH3+]C1CCC(NC(=O)NC[C@H](c2cccc(Cl)c2)[NH+]2CCCC2)CC1 ZINC000416998064 500179842 /nfs/dbraw/zinc/17/98/42/500179842.db2.gz OXEYXSWYCFKFFS-DAWZGUTISA-N 2 0 364.921 3.046 20 0 FGADRP COc1ccccc1-n1nccc1C[NH2+]Cc1ccc(C[NH+](C)C)c(F)c1 ZINC000430012602 500180812 /nfs/dbraw/zinc/18/08/12/500180812.db2.gz LLHDQDPBBGYCCX-UHFFFAOYSA-N 2 0 368.456 3.371 20 0 FGADRP CC[NH2+]CC1CCN(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000417837486 500181205 /nfs/dbraw/zinc/18/12/05/500181205.db2.gz MKWAUYMQIVSMSR-WIYYLYMNSA-N 2 0 372.557 3.071 20 0 FGADRP C[NH+](C)[C@H](CNC(=O)N1CCCC[C@@H]1[C@H]1CCC[NH2+]C1)C1CCCCC1 ZINC000417008045 500182940 /nfs/dbraw/zinc/18/29/40/500182940.db2.gz IBXCVQHNRFSWHR-XUVXKRRUSA-N 2 0 364.578 3.061 20 0 FGADRP CC(C)[C@@H](CNC(=O)NCc1ccc([C@H](C)[NH3+])cc1)[NH+]1CCC(C)CC1 ZINC000417009916 500183380 /nfs/dbraw/zinc/18/33/80/500183380.db2.gz OASDTFWZGJZOIG-FXAWDEMLSA-N 2 0 360.546 3.262 20 0 FGADRP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+]C[C@@H](O)COCc2ccc(Cl)cc2)C1 ZINC000579463571 506181068 /nfs/dbraw/zinc/18/10/68/506181068.db2.gz ZXKCJLAYUOQHHF-AZUAARDMSA-N 2 0 368.949 3.175 20 0 FGADRP CC(C)C[C@H](CNC(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1)[NH2+][C@@H](C)c1ccccc1 ZINC000417865356 500187076 /nfs/dbraw/zinc/18/70/76/500187076.db2.gz CNPNPBQPDYJWOR-WJMWBRGCSA-N 2 0 372.557 3.145 20 0 FGADRP CC(C)C[C@H](CNC(=O)N1CC[C@H](C)[C@@H](C[NH3+])C1)[NH2+][C@H](C)c1ccccc1 ZINC000417871017 500188328 /nfs/dbraw/zinc/18/83/28/500188328.db2.gz JCRQQTGKBFPIFT-IZZBFERCSA-N 2 0 374.573 3.378 20 0 FGADRP CCCC[N@H+](CC)Cc1cccc(CNC(=O)N2CC[C@@H](C)[C@@H](C[NH3+])C2)c1 ZINC000417868808 500188338 /nfs/dbraw/zinc/18/83/38/500188338.db2.gz DBLJXIYOLNQZIK-NQIIRXRSSA-N 2 0 374.573 3.435 20 0 FGADRP c1cn(CCCC2CC[NH+](Cc3cnnn3Cc3ccccc3)CC2)cn1 ZINC000430080718 500189939 /nfs/dbraw/zinc/18/99/39/500189939.db2.gz VTHIIINWXUNXDH-UHFFFAOYSA-N 2 0 364.497 3.215 20 0 FGADRP CCCC[N@H+](CC)Cc1cccc(CNC(=O)N[C@@H]2CC[NH2+][C@H](C)C2)c1 ZINC000417887195 500192311 /nfs/dbraw/zinc/19/23/11/500192311.db2.gz WWNWTAHIBZFBBF-YLJYHZDGSA-N 2 0 360.546 3.248 20 0 FGADRP CCCC[N@H+](CC)Cc1cccc(CNC(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000417887147 500192606 /nfs/dbraw/zinc/19/26/06/500192606.db2.gz WRGGXEHGVIIEEP-SFTDATJTSA-N 2 0 372.557 3.060 20 0 FGADRP CCC1(CNC(=O)N2CCC[C@@H]([NH2+]C)C2)CC[NH+](Cc2ccccc2)CC1 ZINC000417913794 500197177 /nfs/dbraw/zinc/19/71/77/500197177.db2.gz ACHYXKSHSJUJHT-HXUWFJFHSA-N 2 0 372.557 3.072 20 0 FGADRP C[C@@H]1C[C@H](CCNC(=O)N[C@H]2CCCC[C@@H]2C[NH3+])C[N@@H+]1Cc1ccccc1 ZINC000417918584 500197771 /nfs/dbraw/zinc/19/77/71/500197771.db2.gz FOOQEFHSUVJQSG-PMXSJFBMSA-N 2 0 372.557 3.104 20 0 FGADRP C[NH+]1CCN(c2ccc(C(F)(F)F)cc2C[NH2+][C@H]2COC(C)(C)C2)CC1 ZINC000417924827 500198981 /nfs/dbraw/zinc/19/89/81/500198981.db2.gz JDKSMJOGIFTZCH-MRXNPFEDSA-N 2 0 371.447 3.114 20 0 FGADRP CC(C)[N@@H+]1CCc2nc(CN3CC[NH+]([C@H]4C[C@@H]4C)C[C@H](C)C3)sc2C1 ZINC000430154799 500201217 /nfs/dbraw/zinc/20/12/17/500201217.db2.gz YCRPIHRRUVUOQY-RYRKJORJSA-N 2 0 362.587 3.072 20 0 FGADRP c1c(C[NH2+]CC2CCN(c3ccccc3)CC2)onc1C1CC[NH2+]CC1 ZINC000425895570 500208961 /nfs/dbraw/zinc/20/89/61/500208961.db2.gz JUSGXTCTBSZLHS-UHFFFAOYSA-N 2 0 354.498 3.148 20 0 FGADRP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N[C@@H](CCC[NH3+])c1ccccc1 ZINC000417988162 500209898 /nfs/dbraw/zinc/20/98/98/500209898.db2.gz RSYKHIGWVMBLIM-NQIIRXRSSA-N 2 0 368.525 3.286 20 0 FGADRP CC[NH2+]CC1CCN(C(=O)NC[C@@]2(C)CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000418035357 500217897 /nfs/dbraw/zinc/21/78/97/500217897.db2.gz AIWOALXENFQUEU-JOCHJYFZSA-N 2 0 372.557 3.072 20 0 FGADRP C[N@H+](CCCCOc1ccccc1)C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000425982142 500221138 /nfs/dbraw/zinc/22/11/38/500221138.db2.gz VCWSOYBELVUPFU-HSZRJFAPSA-N 2 0 368.521 3.414 20 0 FGADRP CC1CC[NH+](Cc2ccccc2CNC(=O)N(C)CC(C)(C)C[NH3+])CC1 ZINC000418062651 500224585 /nfs/dbraw/zinc/22/45/85/500224585.db2.gz GNNXVAKQABWEMM-UHFFFAOYSA-N 2 0 360.546 3.045 20 0 FGADRP CCCN(C(=O)NCc1ccccc1C[NH+]1CCC(C)CC1)[C@@H]1CC[NH2+]C1 ZINC000418067858 500225139 /nfs/dbraw/zinc/22/51/39/500225139.db2.gz PLTKDZQHBDPJJW-OAQYLSRUSA-N 2 0 372.557 3.202 20 0 FGADRP Cc1ccc2cc([C@H](C)[NH2+][C@@H](CC(C)C)C(=O)NCC[NH+](C)C)oc2c1 ZINC000426018827 500226317 /nfs/dbraw/zinc/22/63/17/500226317.db2.gz QMPBSKBXYKEWRQ-WMZOPIPTSA-N 2 0 359.514 3.484 20 0 FGADRP CC[NH+]1CCC(N2CCCN(C(=O)NC3C[C@@H](C)C[C@H](C)C3)CC2)CC1 ZINC000422224335 500237013 /nfs/dbraw/zinc/23/70/13/500237013.db2.gz DZEDIGVXSCOLOV-ROUUACIJSA-N 2 0 364.578 3.013 20 0 FGADRP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NC[C@H]1CCC[C@@H]([NH3+])C1 ZINC000418153812 500238145 /nfs/dbraw/zinc/23/81/45/500238145.db2.gz JGQHCTYEAZPXEG-ZCNNSNEGSA-N 2 0 372.557 3.104 20 0 FGADRP C[NH2+]CCC1CCN(C(=O)NCC[NH+]2CCC3(CCCCC3)CC2)CC1 ZINC000418173148 500242291 /nfs/dbraw/zinc/24/22/91/500242291.db2.gz QCFRHDABWBAQCS-UHFFFAOYSA-N 2 0 364.578 3.064 20 0 FGADRP CCC[N@H+](C)[C@@H](CNC(=O)N1CCC[C@H]([NH2+]C)C1)c1ccc(Cl)cc1 ZINC000418174863 500242992 /nfs/dbraw/zinc/24/29/92/500242992.db2.gz FHIUSKUVSNDGET-ROUUACIJSA-N 2 0 366.937 3.116 20 0 FGADRP CC[NH2+]CC1CCN(C(=O)N[C@H](C)[C@@H](c2ccccc2C)[NH+](C)C)CC1 ZINC000418182729 500244499 /nfs/dbraw/zinc/24/44/99/500244499.db2.gz NHFNNAAYEJTZQD-XLIONFOSSA-N 2 0 360.546 3.017 20 0 FGADRP C[C@H](NC(=O)N1CCC([C@@H]2[NH2+]CC2(C)C)CC1)[C@H](c1ccccc1)[NH+](C)C ZINC000418188908 500245840 /nfs/dbraw/zinc/24/58/40/500245840.db2.gz UWOUUEFNIZOYGQ-DBVUQKKJSA-N 2 0 372.557 3.097 20 0 FGADRP C[C@H](NC(=O)N1CCCC[C@@H]1[C@H]1CCC[NH2+]C1)[C@@H](c1ccccc1)[NH+](C)C ZINC000418189803 500245945 /nfs/dbraw/zinc/24/59/45/500245945.db2.gz VSUILIYSEXQCRO-WJMWBRGCSA-N 2 0 372.557 3.242 20 0 FGADRP CCC[N@H+](C)[C@H](CNC(=O)N[C@H]1CC[NH2+]C[C@@H]1C)c1ccc(Cl)cc1 ZINC000418192322 500246871 /nfs/dbraw/zinc/24/68/71/500246871.db2.gz YKJIOCBNUKERQJ-JCGIZDLHSA-N 2 0 366.937 3.020 20 0 FGADRP CCc1ccc([C@H](CNC(=O)N2CC[C@H]([C@H](C)[NH3+])C2)[NH+](CC)CC)cc1 ZINC000418223748 500251959 /nfs/dbraw/zinc/25/19/59/500251959.db2.gz YZLLRCORUTZWBW-VDGAXYAQSA-N 2 0 360.546 3.011 20 0 FGADRP [NH3+]C[C@@H](NC(=O)NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1)C1CCCC1 ZINC000418227613 500252943 /nfs/dbraw/zinc/25/29/43/500252943.db2.gz AAACMSDDLFTBHC-TZIWHRDSSA-N 2 0 372.557 3.105 20 0 FGADRP CC[NH2+]CC1CC[NH+](CC(=O)Nc2cccc(-c3csc(C)n3)c2)CC1 ZINC000430566160 500255289 /nfs/dbraw/zinc/25/52/89/500255289.db2.gz BRRXJPSFPFSFNH-UHFFFAOYSA-N 2 0 372.538 3.379 20 0 FGADRP C[C@H]([NH3+])[C@H]1CCC[N@H+](CCC(=O)N[C@H](c2cccs2)c2ccccc2)C1 ZINC000430601408 500261082 /nfs/dbraw/zinc/26/10/82/500261082.db2.gz TZWUSUISPVSBRL-MDKPJZGXSA-N 2 0 371.550 3.403 20 0 FGADRP C[C@@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[NH+]1CCC(C[NH3+])CC1 ZINC000430612446 500262072 /nfs/dbraw/zinc/26/20/72/500262072.db2.gz RKRKEJLNRJSJMM-JTQLQIEISA-N 2 0 363.811 3.357 20 0 FGADRP CC(C)[NH+](CCNC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C)C(C)C ZINC000582319210 506185767 /nfs/dbraw/zinc/18/57/67/506185767.db2.gz JREHDZFXAJIVEK-UYAOXDASSA-N 2 0 360.546 3.067 20 0 FGADRP Cc1nc2ccc(C[NH+]3CCC(C)(C[NH+]4CCN(C)CC4)CC3)cc2s1 ZINC000426364442 500265013 /nfs/dbraw/zinc/26/50/13/500265013.db2.gz YZFTZINRJABLRN-UHFFFAOYSA-N 2 0 372.582 3.454 20 0 FGADRP CCCN(C(=O)NCC[C@@H]1CC[NH2+]C1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000418343891 500265155 /nfs/dbraw/zinc/26/51/55/500265155.db2.gz RKKFDYPMJTXRBP-FPOVZHCZSA-N 2 0 372.557 3.072 20 0 FGADRP [NH3+]C[C@@H](NC(=O)N[C@H](C[NH3+])C1CCCCC1)c1ccc2ccccc2c1 ZINC000418394087 500271326 /nfs/dbraw/zinc/27/13/26/500271326.db2.gz XJZFRLFFJXIWIM-WOJBJXKFSA-N 2 0 354.498 3.046 20 0 FGADRP CC[C@@H]1CC[C@H](C)C[C@@H]1[NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000430715860 500274299 /nfs/dbraw/zinc/27/42/99/500274299.db2.gz BLZYOAUVHOXSIW-ZCNNSNEGSA-N 2 0 359.562 3.183 20 0 FGADRP CCCC[C@H](C[NH3+])NC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000418456962 500279067 /nfs/dbraw/zinc/27/90/67/500279067.db2.gz DEQYNNLALYGQHD-PWRODBHTSA-N 2 0 372.557 3.200 20 0 FGADRP C[C@@H]([NH3+])c1ccc(CNC(=O)N2CC[NH+](C3CCC(C)CC3)CC2)cc1 ZINC000418458968 500279590 /nfs/dbraw/zinc/27/95/90/500279590.db2.gz IGXRWBXCNOGFAH-OHTSDLOESA-N 2 0 358.530 3.112 20 0 FGADRP CCC[N@H+](C)[C@H](CNC(=O)NC(C)(C)CC[NH3+])c1ccc(Cl)cc1 ZINC000422619443 500282082 /nfs/dbraw/zinc/28/20/82/500282082.db2.gz NHOUHLVCPYUZMJ-MRXNPFEDSA-N 2 0 354.926 3.150 20 0 FGADRP C[C@@H]([NH3+])c1ccc(CNC(=O)N(CC[NH+](C)C)Cc2cccs2)cc1 ZINC000418485925 500282636 /nfs/dbraw/zinc/28/26/36/500282636.db2.gz HTUWEYCVIBNKDJ-OAHLLOKOSA-N 2 0 360.527 3.041 20 0 FGADRP COc1cccc(C[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c1OC ZINC000422701625 500287322 /nfs/dbraw/zinc/28/73/22/500287322.db2.gz DNIILQVIODEWHL-UTKZUKDTSA-N 2 0 354.450 3.049 20 0 FGADRP c1ccc(CCOCCC[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422705436 500287672 /nfs/dbraw/zinc/28/76/72/500287672.db2.gz BZGJNFQKLXHXGM-JTHBVZDNSA-N 2 0 366.505 3.481 20 0 FGADRP c1ccc(C[NH+]2CCCCCC2)c(C[NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)c1 ZINC000422720412 500289884 /nfs/dbraw/zinc/28/98/84/500289884.db2.gz ZKSHFBICUSPPRT-DNVJHFABSA-N 3 0 371.569 3.309 20 0 FGADRP CSc1nnc(CCC[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)n1CC(C)C ZINC000422725980 500290099 /nfs/dbraw/zinc/29/00/99/500290099.db2.gz CWYNTAVMMQYAKV-DLBZAZTESA-N 2 0 359.543 3.323 20 0 FGADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+][C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000422720100 500290177 /nfs/dbraw/zinc/29/01/77/500290177.db2.gz ZNWYTFLHGJCIBJ-UNEWFSDZSA-N 2 0 352.320 3.006 20 0 FGADRP C[NH+](C)CCCOc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)cc1 ZINC000422720933 500290216 /nfs/dbraw/zinc/29/02/16/500290216.db2.gz UFZCABQTIHDNFG-BHDDXSALSA-N 3 0 359.558 3.418 20 0 FGADRP COC[C@@H](CCC[NH3+])[NH2+]C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000422734519 500291534 /nfs/dbraw/zinc/29/15/34/500291534.db2.gz SLGFEXGEDYSLRX-MRXNPFEDSA-N 2 0 374.356 3.301 20 0 FGADRP CC[N@H+](C)Cc1cccc(C[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000422745463 500293410 /nfs/dbraw/zinc/29/34/10/500293410.db2.gz VEMVSQWKBXMQCF-GMAHTHKFSA-N 3 0 365.521 3.484 20 0 FGADRP COc1ccc([C@H](C[NH2+][C@@H](C)c2ccc(C[NH3+])nc2C)N2CCCC2)cc1 ZINC000422752469 500294047 /nfs/dbraw/zinc/29/40/47/500294047.db2.gz HDICBXCKBTZEBD-AOMKIAJQSA-N 2 0 368.525 3.345 20 0 FGADRP COc1cccc(N2CCC[C@H]([NH2+][C@@H](Cc3ccccc3)[C@H](C)[NH3+])C2)c1 ZINC000422759300 500294454 /nfs/dbraw/zinc/29/44/54/500294454.db2.gz KRUFVTTZXRBZBA-JLMWRMLUSA-N 2 0 353.510 3.212 20 0 FGADRP CCOC(=O)C1([C@H](C)[NH2+][C@@H](c2ccccc2)c2ccccn2)CC[NH2+]CC1 ZINC000422766868 500295127 /nfs/dbraw/zinc/29/51/27/500295127.db2.gz RKUMKLHTMCFLAK-PXNSSMCTSA-N 2 0 367.493 3.082 20 0 FGADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]CC1(c2cccc(C(F)(F)F)c2)CCOCC1 ZINC000422762550 500295206 /nfs/dbraw/zinc/29/52/06/500295206.db2.gz NXTNDNOBQBAMKY-YOEHRIQHSA-N 2 0 356.432 3.471 20 0 FGADRP CCCN(C(=O)N[C@@H]1CC[NH2+]C[C@@H]1C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000418602540 500296029 /nfs/dbraw/zinc/29/60/29/500296029.db2.gz VUOBBTZYDYXNML-CEWLAPEOSA-N 2 0 372.557 3.071 20 0 FGADRP CC[N@H+](CCC1CCN(C(=O)N[C@@H](C[NH3+])C2CCCC2)CC1)CC1CC1 ZINC000418615955 500297037 /nfs/dbraw/zinc/29/70/37/500297037.db2.gz HPUMAAJDFSLCNZ-FQEVSTJZSA-N 2 0 364.578 3.048 20 0 FGADRP CCOc1cc2c(cc1C[NH2+][C@@H](C)c1ccc(C[NH3+])nc1C)O[C@H](C)C2 ZINC000422785975 500297224 /nfs/dbraw/zinc/29/72/24/500297224.db2.gz PXRRMIHTGAMASF-KGLIPLIRSA-N 2 0 355.482 3.422 20 0 FGADRP COc1ccc(CC[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c(OC)c1 ZINC000422788567 500297441 /nfs/dbraw/zinc/29/74/41/500297441.db2.gz VOANJRLGEYGTQM-SIKLNZKXSA-N 2 0 368.477 3.092 20 0 FGADRP CCCC[N@H+](C)CC1CCN(C(=O)NC[C@H]2[NH2+]CCc3ccccc32)CC1 ZINC000418640642 500299092 /nfs/dbraw/zinc/29/90/92/500299092.db2.gz RBYHFKQSQQZVET-OAQYLSRUSA-N 2 0 372.557 3.027 20 0 FGADRP CCc1ccccc1[C@@H]([NH3+])CNC(=O)N[C@@H](CCC[NH3+])c1ccccc1 ZINC000418656956 500302396 /nfs/dbraw/zinc/30/23/96/500302396.db2.gz TVWLVIYMHFHUFO-PMACEKPBSA-N 2 0 354.498 3.028 20 0 FGADRP CCN(CC)[C@H](C[NH2+][C@@H](C)c1ccc(C[NH3+])nc1C)Cc1ccccc1 ZINC000422831568 500303531 /nfs/dbraw/zinc/30/35/31/500303531.db2.gz JZCXYFCKVAWJNF-UWJYYQICSA-N 2 0 354.542 3.452 20 0 FGADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C[C@@H]1CCCN(Cc2cccs2)C1 ZINC000422840471 500303790 /nfs/dbraw/zinc/30/37/90/500303790.db2.gz SYHGLNMDXBSXHA-WBVHZDCISA-N 2 0 358.555 3.473 20 0 FGADRP COc1cc(Br)c(C[NH+]2CCC3(CC[NH2+]C3)CC2)cc1OC ZINC000430907162 500305000 /nfs/dbraw/zinc/30/50/00/500305000.db2.gz BXFDNTWAIYXLFJ-UHFFFAOYSA-N 2 0 369.303 3.042 20 0 FGADRP CCOC(=O)C1([C@@H](C)[NH2+][C@@H]2CCSc3c(F)cccc32)CC[NH2+]CC1 ZINC000422847085 500305354 /nfs/dbraw/zinc/30/53/54/500305354.db2.gz QZYARHXGNYIEQZ-CZUORRHYSA-N 2 0 366.502 3.274 20 0 FGADRP CC1(C(=O)N[C@@H](C[NH3+])C2CCCCC2)CC[NH+](Cc2ccccc2)CC1 ZINC000422854259 500306140 /nfs/dbraw/zinc/30/61/40/500306140.db2.gz ZZPFJTJYEXQUEB-FQEVSTJZSA-N 2 0 357.542 3.313 20 0 FGADRP C[C@H](CCCC[NH3+])[NH2+]C[C@H](c1c(F)cccc1Cl)N1CCO[C@H](C)C1 ZINC000422873655 500308980 /nfs/dbraw/zinc/30/89/80/500308980.db2.gz AXXCSFJLUSHDBI-IIDMSEBBSA-N 2 0 371.928 3.348 20 0 FGADRP CC[C@H]([NH3+])CNC(=O)N1CC(C)(C)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000418706106 500310253 /nfs/dbraw/zinc/31/02/53/500310253.db2.gz FCKCFTVVBBIQNA-VQTJNVASSA-N 2 0 372.557 3.056 20 0 FGADRP c1ccc2cc(OCCC[NH2+][C@@H]3CCOC[C@H]3[C@@H]3CCC[NH2+]3)ccc2c1 ZINC000422883921 500310400 /nfs/dbraw/zinc/31/04/00/500310400.db2.gz DGVOQNRIIHYSRO-FDFHNCONSA-N 2 0 354.494 3.355 20 0 FGADRP CC[N@H+](CCC1CCN(C(=O)NC[C@H]2CCC[C@@H]([NH3+])C2)CC1)CC1CC1 ZINC000418721217 500312258 /nfs/dbraw/zinc/31/22/58/500312258.db2.gz MAGFFIMCTNXGAZ-VQTJNVASSA-N 2 0 364.578 3.048 20 0 FGADRP C[C@@H]1CN(CC(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)CC[C@H]1[NH3+] ZINC000430952259 500312423 /nfs/dbraw/zinc/31/24/23/500312423.db2.gz YJYAUZGKPKMTOV-CSMYWGQOSA-N 2 0 370.324 3.326 20 0 FGADRP C[C@@H]([NH2+]C[C@H]1CCN(c2cccc(Br)c2)C1)[C@@H]1CCC[NH2+]1 ZINC000422896119 500312574 /nfs/dbraw/zinc/31/25/74/500312574.db2.gz HJRHXXRKENNBBA-CPUCHLNUSA-N 2 0 352.320 3.006 20 0 FGADRP O[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)COc1cccc(Cl)c1Cl ZINC000422898331 500313297 /nfs/dbraw/zinc/31/32/97/500313297.db2.gz DSWBKWMJTKVGBC-RRCSTGOVSA-N 2 0 373.324 3.243 20 0 FGADRP C[C@@H]1CN(Cc2cccc(C[NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCCC[NH2+]3)c2)CCO1 ZINC000422903405 500313608 /nfs/dbraw/zinc/31/36/08/500313608.db2.gz OMRMMGSABLHUPM-TWHAJKEOSA-N 2 0 371.569 3.308 20 0 FGADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]C[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000422900423 500314045 /nfs/dbraw/zinc/31/40/45/500314045.db2.gz QKSXYHSJJXQKRT-IIDMSEBBSA-N 2 0 366.347 3.253 20 0 FGADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+][C@H]1CCCN(Cc2ccc(F)cc2Cl)C1 ZINC000422906771 500314472 /nfs/dbraw/zinc/31/44/72/500314472.db2.gz KIORKMYJESBENT-DKSSEZFCSA-N 2 0 353.913 3.421 20 0 FGADRP CC[NH+]1CCN(Cc2ccc(N[C@H](C)c3ccc(C[NH3+])nc3C)cc2)CC1 ZINC000422922121 500316986 /nfs/dbraw/zinc/31/69/86/500316986.db2.gz PPTAQBGZEKJJQX-QGZVFWFLSA-N 2 0 367.541 3.159 20 0 FGADRP CCOC(=O)C1([C@H](C)[NH2+]CCc2csc3ccccc23)CC[NH2+]CC1 ZINC000422942322 500321275 /nfs/dbraw/zinc/32/12/75/500321275.db2.gz WMVCISBQJVWQMN-HNNXBMFYSA-N 2 0 360.523 3.355 20 0 FGADRP C[C@@H]1C[N@@H+](Cc2ccccc2C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)C[C@H](C)O1 ZINC000422947424 500321885 /nfs/dbraw/zinc/32/18/85/500321885.db2.gz PZUVNBVDPJFRNI-HLSZOSTASA-N 3 0 371.569 3.306 20 0 FGADRP C[C@@H](CCC[NH3+])[NH2+]CC1(c2cccc(Br)c2)CCOCC1 ZINC000422947042 500322084 /nfs/dbraw/zinc/32/20/84/500322084.db2.gz POXLGZAZXWGPLG-AWEZNQCLSA-N 2 0 355.320 3.214 20 0 FGADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CCOc1cccc(Br)c1 ZINC000422949421 500322313 /nfs/dbraw/zinc/32/23/13/500322313.db2.gz UEBGDZLRWBVGOM-LBPRGKRZSA-N 2 0 364.287 3.341 20 0 FGADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]Cc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000422970187 500325586 /nfs/dbraw/zinc/32/55/86/500325586.db2.gz VSVYVFOGZQQAMU-JJEOQYAHSA-N 3 0 367.537 3.257 20 0 FGADRP COc1ccc([C@H](CN[C@H]2C[C@H]([NH3+])c3ccccc32)[NH+](C)C)cc1OC ZINC000422985288 500327304 /nfs/dbraw/zinc/32/73/04/500327304.db2.gz CYTGPEXTKGIFNV-FHWLQOOXSA-N 2 0 355.482 3.041 20 0 FGADRP OCC1CC[NH+](Cc2cccc(N[C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)c2)CC1 ZINC000422984166 500327338 /nfs/dbraw/zinc/32/73/38/500327338.db2.gz XFHKTSNMBQLAKE-YPAWHYETSA-N 2 0 357.542 3.224 20 0 FGADRP COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000431041023 500327597 /nfs/dbraw/zinc/32/75/97/500327597.db2.gz ZIARHAUKFLWRLX-AWEZNQCLSA-N 2 0 365.905 3.060 20 0 FGADRP OC[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)Cc1ccccc1C(F)(F)F ZINC000422988335 500327926 /nfs/dbraw/zinc/32/79/26/500327926.db2.gz ISSCKTPWAROFEB-QNDJGXFYSA-N 2 0 370.459 3.367 20 0 FGADRP COc1cccc(COCC[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000422999988 500329298 /nfs/dbraw/zinc/32/92/98/500329298.db2.gz GKLMCESXCCDTMK-UNMCSNQZSA-N 2 0 368.477 3.057 20 0 FGADRP CO[C@@H](c1ccc(Br)cc1)[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423018268 500331569 /nfs/dbraw/zinc/33/15/69/500331569.db2.gz QOFZONMBFYNXSF-CHUYQPBYSA-N 2 0 353.304 3.398 20 0 FGADRP Clc1ccc(COCC[NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)c(Cl)c1 ZINC000423026799 500332236 /nfs/dbraw/zinc/33/22/36/500332236.db2.gz OEKBXGMQYAQKMA-CGTJXYLNSA-N 2 0 373.324 3.257 20 0 FGADRP Clc1ccc(COCC[NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)c(Cl)c1 ZINC000423026800 500332698 /nfs/dbraw/zinc/33/26/98/500332698.db2.gz OEKBXGMQYAQKMA-KBAYOESNSA-N 2 0 373.324 3.257 20 0 FGADRP CCOC(=O)C1([C@H](C)[NH2+]CC2(c3ccccc3OC)CCC2)CC[NH2+]CC1 ZINC000423034509 500333338 /nfs/dbraw/zinc/33/33/38/500333338.db2.gz HXBHZFJOIKMLER-KRWDZBQOSA-N 2 0 374.525 3.028 20 0 FGADRP COc1cc(Br)ccc1CCC[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000423035483 500333795 /nfs/dbraw/zinc/33/37/95/500333795.db2.gz RNAXUCCYECTSDZ-GOEBONIOSA-N 2 0 355.320 3.497 20 0 FGADRP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCCc1nc(-c2ccc(F)cc2)no1 ZINC000423035660 500333957 /nfs/dbraw/zinc/33/39/57/500333957.db2.gz SFYZKYHIRRCAGS-DNVCBOLYSA-N 2 0 368.456 3.356 20 0 FGADRP Fc1cc(CC[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc(F)c1F ZINC000423047408 500334978 /nfs/dbraw/zinc/33/49/78/500334978.db2.gz VEEYHYFZOMAXHI-YLJYHZDGSA-N 2 0 362.395 3.492 20 0 FGADRP COc1cc(Br)ccc1C[NH2+][C@@H](C)c1ccc(C[NH3+])nc1C ZINC000423061988 500337134 /nfs/dbraw/zinc/33/71/34/500337134.db2.gz LZEPOHKKFXVSFS-NSHDSACASA-N 2 0 364.287 3.471 20 0 FGADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C[C@H](CO)Cc1cc(F)c(F)c(F)c1 ZINC000423076708 500339569 /nfs/dbraw/zinc/33/95/69/500339569.db2.gz RTCXINMEZZZMET-FVQBIDKESA-N 2 0 358.448 3.155 20 0 FGADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CCCCn1cc(Br)cn1 ZINC000423086521 500340466 /nfs/dbraw/zinc/34/04/66/500340466.db2.gz NLIVSRDBTGVUFU-GDBMZVCRSA-N 2 0 357.340 3.326 20 0 FGADRP FC(F)(F)C1CCN(C2CC([NH2+][C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)C2)CC1 ZINC000423087751 500340627 /nfs/dbraw/zinc/34/06/27/500340627.db2.gz QGJBDAWMBAODSX-YXYCDRMUSA-N 2 0 359.480 3.302 20 0 FGADRP COC[C@@H](CCC[NH3+])[NH2+]CC1(c2ccc(Br)s2)CCC1 ZINC000423098515 500341636 /nfs/dbraw/zinc/34/16/36/500341636.db2.gz CYTIWYQEBCVKMV-GFCCVEGCSA-N 2 0 361.349 3.276 20 0 FGADRP CCC[N@H+](C)[C@H](CN[C@H](C1CC1)[C@@H]1C[NH2+]CCO1)c1ccc(Cl)cc1 ZINC000423099295 500341772 /nfs/dbraw/zinc/34/17/72/500341772.db2.gz FIHLAUOHAQKFMI-HSALFYBXSA-N 2 0 365.949 3.080 20 0 FGADRP Cc1cc(C[NH2+]C2CCC(C[NH3+])CC2)ccc1I ZINC000423104281 500342815 /nfs/dbraw/zinc/34/28/15/500342815.db2.gz YEANQJIVYHQMEC-UHFFFAOYSA-N 2 0 358.267 3.207 20 0 FGADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1ccc(I)c(Cl)c1 ZINC000423117652 500344843 /nfs/dbraw/zinc/34/48/43/500344843.db2.gz WKXVGFNWCVSHFX-BDAKNGLRSA-N 2 0 352.647 3.160 20 0 FGADRP C[C@H](NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2)[C@H]1CCCC[NH2+]1 ZINC000423127657 500345664 /nfs/dbraw/zinc/34/56/64/500345664.db2.gz CGTQQNWQFLFDLL-KSEOMHKRSA-N 3 0 371.569 3.035 20 0 FGADRP FC(F)(F)[C@H](C[NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1)Cc1ccccc1 ZINC000423125305 500346106 /nfs/dbraw/zinc/34/61/06/500346106.db2.gz QHYBRJXVZHBBHU-BSDSXHPESA-N 2 0 356.432 3.154 20 0 FGADRP [NH3+]CC1CCC([NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)CC1 ZINC000423132635 500346558 /nfs/dbraw/zinc/34/65/58/500346558.db2.gz JPAYLUTUTVDUPC-NJEKYYFSSA-N 3 0 371.569 3.022 20 0 FGADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000423147836 500348460 /nfs/dbraw/zinc/34/84/60/500348460.db2.gz SWJOVDBMUUDHKJ-WBVHZDCISA-N 2 0 372.962 3.404 20 0 FGADRP Cc1ccc(C[C@H](CO)C[NH2+][C@H]2CCCCC[C@@H]2[NH3+])cc1Br ZINC000423151443 500348525 /nfs/dbraw/zinc/34/85/25/500348525.db2.gz DFABDDIFTGEGAI-SZMVWBNQSA-N 2 0 369.347 3.158 20 0 FGADRP COc1cc(OC)c(C[C@H](C)[NH2+][C@@H](C)c2ccc(C[NH3+])nc2C)c(OC)c1 ZINC000423151569 500348767 /nfs/dbraw/zinc/34/87/67/500348767.db2.gz CRQNZPGCMTWNCM-KBPBESRZSA-N 2 0 373.497 3.156 20 0 FGADRP Cc1ccc(C[C@H](CO)[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1C ZINC000423162967 500349654 /nfs/dbraw/zinc/34/96/54/500349654.db2.gz LXYNMOWWSOGCTE-LSWJPFSZSA-N 2 0 366.505 3.052 20 0 FGADRP Cc1cc(C[NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)ccc1Br ZINC000423163244 500349815 /nfs/dbraw/zinc/34/98/15/500349815.db2.gz MGYVOIDTWHGFFW-HYVNUMGLSA-N 2 0 353.304 3.004 20 0 FGADRP Brc1ccc(/C=C/C[NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000423165973 500350746 /nfs/dbraw/zinc/35/07/46/500350746.db2.gz YRLIYBSSCPCKPQ-PZYUGMJTSA-N 2 0 365.315 3.209 20 0 FGADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]C1CCN(Cc2cccc(Br)c2)CC1 ZINC000423173869 500351453 /nfs/dbraw/zinc/35/14/53/500351453.db2.gz AKGBOERMPIMKHV-MAUKXSAKSA-N 2 0 366.347 3.131 20 0 FGADRP C[C@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1ccc(OC[C@H]2CCCCO2)c(F)c1 ZINC000423219106 500356086 /nfs/dbraw/zinc/35/60/86/500356086.db2.gz WDHVCEYKHLALOW-LZLYRXPVSA-N 2 0 350.478 3.424 20 0 FGADRP C[C@@H]([NH2+]CC[C@H]1CC[NH2+]C1)c1ccc(F)c(I)c1 ZINC000423242791 500357799 /nfs/dbraw/zinc/35/77/99/500357799.db2.gz FWHKIQOEAPGDHZ-GHMZBOCLSA-N 2 0 362.230 3.081 20 0 FGADRP Cc1ccc([C@H]([NH2+]CC[C@H]2CC[NH2+]C2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000423242980 500357884 /nfs/dbraw/zinc/35/78/84/500357884.db2.gz FYRKWSQBTFVOOP-UTKZUKDTSA-N 2 0 372.534 3.077 20 0 FGADRP C[C@H]([NH2+]CC[C@@H]1CC[NH2+]C1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000423252717 500358426 /nfs/dbraw/zinc/35/84/26/500358426.db2.gz UJVVTODGJBOLOZ-HOTGVXAUSA-N 2 0 350.528 3.053 20 0 FGADRP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+]1C[C@@H](C)[C@H](C)[C@@H]1C ZINC000419378550 500359522 /nfs/dbraw/zinc/35/95/22/500359522.db2.gz VUNAFDSGINCCRM-YDZRNGNQSA-N 2 0 357.542 3.132 20 0 FGADRP C[C@@H]([NH3+])c1ccc(C[NH2+][C@H](C)c2ccc(S(C)(=O)=O)c(F)c2)cc1 ZINC000423291048 500361828 /nfs/dbraw/zinc/36/18/28/500361828.db2.gz GLFRTVOUFSEGJH-CHWSQXEVSA-N 2 0 350.459 3.100 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)c1ccccc1CC[NH2+]C)c1ccsc1 ZINC000423325741 500364631 /nfs/dbraw/zinc/36/46/31/500364631.db2.gz LLYFJWDKRWONML-LJQANCHMSA-N 2 0 359.539 3.323 20 0 FGADRP C[C@@H]([NH3+])c1ccc(C(=O)Nc2ccccc2NC2CC[NH+](C)CC2)cc1 ZINC000423357763 500366743 /nfs/dbraw/zinc/36/67/43/500366743.db2.gz APRKJEMTZIHYOZ-OAHLLOKOSA-N 2 0 352.482 3.465 20 0 FGADRP CC[C@@H]([NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc(Cl)s1 ZINC000423371063 500368362 /nfs/dbraw/zinc/36/83/62/500368362.db2.gz AGFVZXIGHUNLIO-PWSUYJOCSA-N 2 0 355.857 3.278 20 0 FGADRP C[C@H]1C[C@@H]([NH2+]C[C@@H](N2CC[NH2+]CC2)C(F)(F)F)c2ccsc2S1 ZINC000423384164 500368911 /nfs/dbraw/zinc/36/89/11/500368911.db2.gz JXTDRPXPUKBSFT-CYZMBNFOSA-N 2 0 365.490 3.099 20 0 FGADRP C[C@@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]Cc1ccc2c(c1)C[NH2+]C2 ZINC000423393614 500369567 /nfs/dbraw/zinc/36/95/67/500369567.db2.gz QQLSKCYMUYOYKU-HNNXBMFYSA-N 2 0 371.912 3.470 20 0 FGADRP C[C@H]([NH3+])c1ccc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000423387643 500369692 /nfs/dbraw/zinc/36/96/92/500369692.db2.gz SSKABVRWLWIXHG-WWMYMODYSA-N 2 0 351.494 3.489 20 0 FGADRP Cc1cc2c(cc1C)[C@H]([NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F)CCS2 ZINC000423397161 500370132 /nfs/dbraw/zinc/37/01/32/500370132.db2.gz UKAFAEVNYCVDFX-NVXWUHKLSA-N 2 0 373.488 3.266 20 0 FGADRP COCC1(C[NH2+][C@@H]2CCCOc3c(C)cc(Cl)cc32)CC[NH2+]CC1 ZINC000423405519 500371099 /nfs/dbraw/zinc/37/10/99/500371099.db2.gz JMIJTTSSXVPGDF-QGZVFWFLSA-N 2 0 352.906 3.468 20 0 FGADRP C[C@@H]([NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1cccc2ccccc21 ZINC000423403719 500371144 /nfs/dbraw/zinc/37/11/44/500371144.db2.gz ZKNDVUBIQUKUAD-RDTXWAMCSA-N 2 0 351.416 3.327 20 0 FGADRP COCC1(C[NH2+][C@H]2CCc3c2cc(Br)cc3F)CC[NH2+]CC1 ZINC000423409099 500371916 /nfs/dbraw/zinc/37/19/16/500371916.db2.gz PMAJHPHQZZLKFA-INIZCTEOSA-N 2 0 371.294 3.181 20 0 FGADRP COCC1(C[NH2+][C@H]2CCCOc3cc4c(cc32)CCCC4)CC[NH2+]CC1 ZINC000423413683 500372586 /nfs/dbraw/zinc/37/25/86/500372586.db2.gz ZORFIKHYQNAMCB-FQEVSTJZSA-N 2 0 358.526 3.385 20 0 FGADRP C[C@@H]([NH2+][C@@H](C)CCCC[NH3+])c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000423426230 500373646 /nfs/dbraw/zinc/37/36/46/500373646.db2.gz HMCRBBKJVGZXPZ-DLBZAZTESA-N 2 0 367.559 3.029 20 0 FGADRP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@H]1[NH2+]CCCC1(C)C ZINC000423429206 500374186 /nfs/dbraw/zinc/37/41/86/500374186.db2.gz JZSKOYXEPWXYMK-UXHICEINSA-N 2 0 357.542 3.135 20 0 FGADRP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@H]1[NH2+]CCCC1(C)C ZINC000423429205 500374330 /nfs/dbraw/zinc/37/43/30/500374330.db2.gz JZSKOYXEPWXYMK-PMACEKPBSA-N 2 0 357.542 3.135 20 0 FGADRP C[NH2+]CCc1ccccc1C(=O)N[C@H](C)c1ccc(-n2ccnc2C)cc1 ZINC000423444414 500375402 /nfs/dbraw/zinc/37/54/02/500375402.db2.gz WRMNOCMEXYCORM-MRXNPFEDSA-N 2 0 362.477 3.434 20 0 FGADRP Cc1c([C@H](C)[NH2+][C@H](C)CCC[NH3+])nnn1-c1cccc(Br)c1 ZINC000423455304 500375848 /nfs/dbraw/zinc/37/58/48/500375848.db2.gz MJLZLNXCZXIMLT-NEPJUHHUSA-N 2 0 366.307 3.116 20 0 FGADRP Clc1ccc2c(c1)OCCC[C@@H]2[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000423507564 500380453 /nfs/dbraw/zinc/38/04/53/500380453.db2.gz JOHNQWAUUWEJJH-TVPLGVNVSA-N 2 0 363.933 3.360 20 0 FGADRP COc1ccccc1[C@H](CNC(=O)C[C@H]1CCC[NH2+]CC1)[NH+]1CCCCC1 ZINC000427319010 500381051 /nfs/dbraw/zinc/38/10/51/500381051.db2.gz DAVIRHUJKMATSH-ICSRJNTNSA-N 2 0 373.541 3.118 20 0 FGADRP Cc1ccc(OC(F)F)c([C@H](C)[NH2+]C2CCC([NH+]3CCNCC3)CC2)c1 ZINC000423521833 500381749 /nfs/dbraw/zinc/38/17/49/500381749.db2.gz UCWMRZMRMSQMHF-GTPINHCMSA-N 2 0 367.484 3.463 20 0 FGADRP COc1cccc(NC(=O)C[C@@H](C)[NH2+]CC2([NH3+])C3CC4CC(C3)CC2C4)c1 ZINC000423533025 500382990 /nfs/dbraw/zinc/38/29/90/500382990.db2.gz WJWUGRUXLCWQOZ-HMSUTVNQSA-N 2 0 371.525 3.156 20 0 FGADRP COc1ccc(C[C@H](C)[NH2+]CC2([NH3+])C3CC4CC(C3)CC2C4)cc1OC ZINC000423533766 500383424 /nfs/dbraw/zinc/38/34/24/500383424.db2.gz YLXXPXHQKYJACQ-LHIJNNFOSA-N 2 0 358.526 3.378 20 0 FGADRP COc1ccc([C@H](C)[NH2+]CC2(N)CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000423544036 500383789 /nfs/dbraw/zinc/38/37/89/500383789.db2.gz CDJOVBABHXZZNS-SFHVURJKSA-N 2 0 353.510 3.339 20 0 FGADRP C[C@H](Cc1ccc(F)cc1Br)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000423564018 500384852 /nfs/dbraw/zinc/38/48/52/500384852.db2.gz XRZCLKYZODUJFE-XKVFNRALSA-N 2 0 355.295 3.497 20 0 FGADRP CCC1(CC)[C@H](OC)C[C@@H]1[NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1 ZINC000423554296 500385073 /nfs/dbraw/zinc/38/50/73/500385073.db2.gz HAICAXKPUXARMP-VQTJNVASSA-N 2 0 359.558 3.163 20 0 FGADRP NC1(C[NH2+][C@H]2CCc3c2cccc3F)CC[NH+](Cc2ccccc2)CC1 ZINC000423578194 500386202 /nfs/dbraw/zinc/38/62/02/500386202.db2.gz UEXJZOKMONDOJU-NRFANRHFSA-N 2 0 353.485 3.396 20 0 FGADRP CC(C)O[C@@H]1C[C@H]([NH2+]CC2(N)CC[NH+](Cc3ccccc3)CC2)C1(C)C ZINC000423581783 500386914 /nfs/dbraw/zinc/38/69/14/500386914.db2.gz ZLAPQHPTTNDILA-VQTJNVASSA-N 2 0 359.558 3.162 20 0 FGADRP C[C@@H]([NH2+]C1CCN(Cc2ccccn2)CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000419696433 500390175 /nfs/dbraw/zinc/39/01/75/500390175.db2.gz VEMHSOYASDBARV-MOPGFXCFSA-N 2 0 356.558 3.289 20 0 FGADRP C[C@@H]([NH3+])c1ccc(C(=O)N(CC[NH+](C)C)Cc2ccc(F)c(F)c2)cc1 ZINC000423651648 500392295 /nfs/dbraw/zinc/39/22/95/500392295.db2.gz VZWZPTBRGWBCDA-CQSZACIVSA-N 2 0 361.436 3.189 20 0 FGADRP O=C(NCC1CC[NH+](C2CC2)CC1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000427440805 500393920 /nfs/dbraw/zinc/39/39/20/500393920.db2.gz FJIHUNMAHUPGMO-UHFFFAOYSA-N 2 0 355.526 3.277 20 0 FGADRP CC(C)CC[NH+]1CCC(CNC(=O)N2CC[C@H]([NH+]3CCCCC3)C2)CC1 ZINC000431618062 500398642 /nfs/dbraw/zinc/39/86/42/500398642.db2.gz PBYVSWMEHLDITD-FQEVSTJZSA-N 2 0 364.578 3.014 20 0 FGADRP C[C@H]([NH3+])c1ccc(C(=O)N2CCC[N@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000423775572 500400833 /nfs/dbraw/zinc/40/08/33/500400833.db2.gz MJUPIAKBWXHONP-MSOLQXFVSA-N 2 0 351.494 3.443 20 0 FGADRP O=C(Nc1cccc(CC[NH+]2CCCC2)c1)[C@]1(c2ccccc2)CC[NH2+]C1 ZINC000423776524 500400916 /nfs/dbraw/zinc/40/09/16/500400916.db2.gz QPQPBPOFBUPVND-HSZRJFAPSA-N 2 0 363.505 3.195 20 0 FGADRP C[C@@H](C(=O)N1CCC(CCC[NH+]2CCCC2)CC1)[C@@H]([NH3+])c1ccccc1 ZINC000423792649 500401884 /nfs/dbraw/zinc/40/18/84/500401884.db2.gz ICHNAGKKWQPYNV-WIYYLYMNSA-N 2 0 357.542 3.437 20 0 FGADRP COc1ccc([C@H](C[NH+]2CCCC2)NC(=O)c2ccc([C@H](C)[NH3+])cc2)cc1 ZINC000423897499 500417113 /nfs/dbraw/zinc/41/71/13/500417113.db2.gz OONWWVWYUKDWTB-KKSFZXQISA-N 2 0 367.493 3.282 20 0 FGADRP CC[C@H](C(=O)Nc1ncc(C2CC[NH2+]CC2)s1)[N@H+](C)Cc1ccccc1 ZINC000423969040 500426560 /nfs/dbraw/zinc/42/65/60/500426560.db2.gz LBLDKPBVKGSTDC-QGZVFWFLSA-N 2 0 372.538 3.459 20 0 FGADRP C[C@H]1CCN(C(=O)c2cccc(C[N@H+](C)Cc3ccccc3)c2)C[C@@H]1C[NH3+] ZINC000424003507 500433564 /nfs/dbraw/zinc/43/35/64/500433564.db2.gz RGXPLBMXJTYWKL-AVRDEDQJSA-N 2 0 365.521 3.376 20 0 FGADRP CCc1sc(C(=O)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)cc1C ZINC000424016418 500437071 /nfs/dbraw/zinc/43/70/71/500437071.db2.gz CJXXGHHFWHZXIU-UHFFFAOYSA-N 2 0 371.550 3.342 20 0 FGADRP Cc1ccc(C(=O)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)cc1Cl ZINC000424019621 500437596 /nfs/dbraw/zinc/43/75/96/500437596.db2.gz MOTHGLZJNOJTBF-UHFFFAOYSA-N 2 0 371.912 3.372 20 0 FGADRP O=C(c1cc(Cl)cc(Cl)c1)N1CC[NH+](CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000420316598 500440141 /nfs/dbraw/zinc/44/01/41/500440141.db2.gz MRHXKNKLPVSBBR-AWEZNQCLSA-N 2 0 370.324 3.141 20 0 FGADRP c1ccc(COc2cncc(C[N@@H+]3CCC[C@H]([C@H]4CC[NH2+]C4)C3)c2)cc1 ZINC000420320262 500440629 /nfs/dbraw/zinc/44/06/29/500440629.db2.gz BCKQOAJZEKOTFM-SFTDATJTSA-N 2 0 351.494 3.482 20 0 FGADRP O=C([C@H](c1ccccc1)[NH+]1CCC([C@H]2CCC[NH2+]2)CC1)N1CCCCC1 ZINC000420334336 500443376 /nfs/dbraw/zinc/44/33/76/500443376.db2.gz GFVDKQUNGKQYOD-RTWAWAEBSA-N 2 0 355.526 3.204 20 0 FGADRP C[C@@H](c1ccc(Br)cc1)[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000420340747 500444599 /nfs/dbraw/zinc/44/45/99/500444599.db2.gz UHGFAQJSVHUMLP-VUCTXSBTSA-N 2 0 353.304 3.338 20 0 FGADRP C[C@H](c1nc(Cc2ccc(F)cc2)no1)[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420339937 500444727 /nfs/dbraw/zinc/44/47/27/500444727.db2.gz ZKDVAICXSJEXIW-HYVNUMGLSA-N 2 0 358.461 3.182 20 0 FGADRP CCc1ccc([C@H](C)NC(=O)[C@H](C)[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)cc1 ZINC000420340611 500445103 /nfs/dbraw/zinc/44/51/03/500445103.db2.gz MVXISEXFIQOIQH-FIKGOQFSSA-N 2 0 357.542 3.279 20 0 FGADRP CCC[C@H](NC(=O)[C@H](C)[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)c1ccccc1 ZINC000420344271 500445590 /nfs/dbraw/zinc/44/55/90/500445590.db2.gz SJOISRKNTJAWFA-NRDMVMEKSA-N 2 0 357.542 3.354 20 0 FGADRP Cc1c(Br)cccc1C[NH+]1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000420391026 500454369 /nfs/dbraw/zinc/45/43/69/500454369.db2.gz NRQMOIFLTKRXFI-WMZOPIPTSA-N 2 0 367.331 3.476 20 0 FGADRP O=C(CC[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1)Nc1cccc(C(F)(F)F)c1 ZINC000420406924 500456538 /nfs/dbraw/zinc/45/65/38/500456538.db2.gz UUOBUYUUUYFADX-WMLDXEAASA-N 2 0 369.431 3.498 20 0 FGADRP Brc1ccc(OCC[N@@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)cc1 ZINC000420407825 500456957 /nfs/dbraw/zinc/45/69/57/500456957.db2.gz VMXVCKRPBPGXBY-YOEHRIQHSA-N 2 0 353.304 3.292 20 0 FGADRP COc1ccc([C@H](C[NH3+])C[NH2+][C@H](C[C@H]2CCOC2)c2ccccc2)cc1 ZINC000420421870 500458429 /nfs/dbraw/zinc/45/84/29/500458429.db2.gz YWZPXUZYSFAXHG-NQSCKRDGSA-N 2 0 354.494 3.495 20 0 FGADRP CC(C)N1CCO[C@H](c2nc(-c3cccc(C[NH+]4CCCC4)c3)no2)C1 ZINC000420483162 500463198 /nfs/dbraw/zinc/46/31/98/500463198.db2.gz MOOQJSGOILPWBJ-SFHVURJKSA-N 2 0 356.470 3.114 20 0 FGADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000428065477 500464525 /nfs/dbraw/zinc/46/45/25/500464525.db2.gz FNHBHPWABVPQBU-SFHLNBCPSA-N 2 0 357.542 3.278 20 0 FGADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]CCC(C)(C)C(=O)OC(C)(C)C ZINC000424194442 500466234 /nfs/dbraw/zinc/46/62/34/500466234.db2.gz XJAYPKNZUUXRPX-UHFFFAOYSA-N 2 0 358.486 3.423 20 0 FGADRP C[C@@H]1CC2(C[N@@H+]1[C@H]1CCN(c3ccc(Cl)c(F)c3)C1=O)CC[NH2+]CC2 ZINC000424287029 500481915 /nfs/dbraw/zinc/48/19/15/500481915.db2.gz IFDGZFLLFPDBCT-DYVFJYSZSA-N 2 0 365.880 3.048 20 0 FGADRP COc1ccc(Br)cc1C[N@@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424292891 500482740 /nfs/dbraw/zinc/48/27/40/500482740.db2.gz OPGXMEQYTPJRKH-ZDUSSCGKSA-N 2 0 353.304 3.422 20 0 FGADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1cc(Cl)cc(I)c1 ZINC000424378286 500493751 /nfs/dbraw/zinc/49/37/51/500493751.db2.gz NNZKHJMCRHUYOL-RKDXNWHRSA-N 2 0 352.647 3.160 20 0 FGADRP COc1cccc(C[NH+]2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)c1OC(C)C ZINC000573460413 506199313 /nfs/dbraw/zinc/19/93/13/506199313.db2.gz FHJKLOJOYQLNSR-AZUAARDMSA-N 2 0 362.514 3.201 20 0 FGADRP C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)N(C)C[C@@H]3CCC[NH+]3C)cc2)C1 ZINC000420782090 500499780 /nfs/dbraw/zinc/49/97/80/500499780.db2.gz QHTWQNCPNPUCSR-RXVVDRJESA-N 2 0 372.557 3.154 20 0 FGADRP COc1ccc(C[NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)cc1Br ZINC000432353238 500503522 /nfs/dbraw/zinc/50/35/22/500503522.db2.gz JGOISCRXRXKUKH-CQSZACIVSA-N 2 0 371.319 3.048 20 0 FGADRP CN(C/C=C\c1ccc(F)cc1)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000428432759 500509353 /nfs/dbraw/zinc/50/93/53/500509353.db2.gz RAUWEEFKDIHQDS-ZQAYIGKJSA-N 2 0 354.469 3.408 20 0 FGADRP Cc1cc(CNC(=O)N2CC[N@H+](Cc3ccccc3)C[C@@H](C)C2)cc(C)n1 ZINC000420861650 500517280 /nfs/dbraw/zinc/51/72/80/500517280.db2.gz OWPBJPWXYHVPMB-QGZVFWFLSA-N 2 0 366.509 3.362 20 0 FGADRP CC[NH+]1CCC(N2CCC[N@H+](C[C@@H]3CCC4(CCCCC4)O3)CC2)CC1 ZINC000420985927 500548438 /nfs/dbraw/zinc/54/84/38/500548438.db2.gz XHFMYERNPVIBLD-NRFANRHFSA-N 2 0 363.590 3.360 20 0 FGADRP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+]2CC[C@H](C)C[C@H](C)C2)CC1 ZINC000432781779 500562770 /nfs/dbraw/zinc/56/27/70/500562770.db2.gz PTMPCTVGGPFARD-OALUTQOASA-N 2 0 371.569 3.444 20 0 FGADRP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@H](C(C)C)C2)CC1 ZINC000432790286 500564144 /nfs/dbraw/zinc/56/41/44/500564144.db2.gz BSGXOQINXNHJDA-HXUWFJFHSA-N 2 0 371.569 3.444 20 0 FGADRP Cc1ccc(NC(=O)CCN2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)nc1 ZINC000447346810 500594845 /nfs/dbraw/zinc/59/48/45/500594845.db2.gz HCZQFGZRXAWEOU-RTBURBONSA-N 2 0 358.530 3.305 20 0 FGADRP FC(F)C1CCC([NH2+]CCN2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000442638318 500607510 /nfs/dbraw/zinc/60/75/10/500607510.db2.gz RUCQHFOOESVJJS-UHFFFAOYSA-N 2 0 351.485 3.218 20 0 FGADRP OCC1(C[NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)CC2(CCC2)C1 ZINC000433057155 500615460 /nfs/dbraw/zinc/61/54/60/500615460.db2.gz GEBXHJNSBSQFAS-QHAWAJNXSA-N 2 0 354.538 3.429 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC2(CO)CC(c3ccccc3)C2)[C@H](C)C1 ZINC000433085250 500622847 /nfs/dbraw/zinc/62/28/47/500622847.db2.gz UDXSEEUTEPPFMZ-DNJQPREOSA-N 2 0 374.569 3.269 20 0 FGADRP C[C@@H]([NH2+]Cc1cccc(N2CCC2=O)c1)c1cccc(OCC[NH+](C)C)c1 ZINC000442802075 500627692 /nfs/dbraw/zinc/62/76/92/500627692.db2.gz QKRWREIZMPZYTM-QGZVFWFLSA-N 2 0 367.493 3.215 20 0 FGADRP COc1ccc([C@H]2CCCCCN2C(=O)CCC[NH+]2CCC([NH3+])CC2)cc1 ZINC000433119376 500630054 /nfs/dbraw/zinc/63/00/54/500630054.db2.gz FVNGXAQXGBSFFR-OAQYLSRUSA-N 2 0 373.541 3.342 20 0 FGADRP Cc1cc(NC(=O)CCC[NH+]2CCC([NH3+])CC2)ccc1Oc1cccnc1 ZINC000433130165 500632393 /nfs/dbraw/zinc/63/23/93/500632393.db2.gz QSJWTTQPIGBXRX-UHFFFAOYSA-N 2 0 368.481 3.324 20 0 FGADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+]Cc2ccccc2N(C)C2CC[NH+](C)CC2)C1 ZINC000437349839 500634032 /nfs/dbraw/zinc/63/40/32/500634032.db2.gz WXMQDDKSJOKLAP-MJGOQNOKSA-N 2 0 373.541 3.038 20 0 FGADRP C[N@@H+]1CCN(CC[NH2+][C@@H]2CCCOc3ccc(Cl)cc32)CC1(C)C ZINC000442864661 500636223 /nfs/dbraw/zinc/63/62/23/500636223.db2.gz DHCKWAZZGWQAAC-QGZVFWFLSA-N 2 0 351.922 3.169 20 0 FGADRP C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000442867175 500636485 /nfs/dbraw/zinc/63/64/85/500636485.db2.gz KNOPCGSSMFFVOU-OAHLLOKOSA-N 2 0 357.464 3.252 20 0 FGADRP CC(C)n1nc(-c2ccccc2)cc1NC(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433164936 500637403 /nfs/dbraw/zinc/63/74/03/500637403.db2.gz GQVHVNRQUXJQPS-UHFFFAOYSA-N 2 0 369.513 3.273 20 0 FGADRP C[C@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433170192 500637956 /nfs/dbraw/zinc/63/79/56/500637956.db2.gz UXTOFTGQPYXAEZ-CQSZACIVSA-N 2 0 371.447 3.428 20 0 FGADRP [NH3+]CC[C@@H]1CCC[N@H+](CCC(=O)N[C@H](c2cccs2)c2ccccc2)C1 ZINC000443057761 500670424 /nfs/dbraw/zinc/67/04/24/500670424.db2.gz LDENMZYTPDFOAW-UWJYYQICSA-N 2 0 371.550 3.405 20 0 FGADRP C[C@H](NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](CC[NH3+])C1)c1cccc2ccccc21 ZINC000443065392 500672106 /nfs/dbraw/zinc/67/21/06/500672106.db2.gz ZTCAESYMLNGOLY-BZSNNMDCSA-N 2 0 353.510 3.466 20 0 FGADRP C[NH+](C)[C@H](CC(=O)NC1CC[NH+](CC2CCCC2)CC1)c1ccccc1 ZINC000433365203 500681780 /nfs/dbraw/zinc/68/17/80/500681780.db2.gz LTQMOJFOIJOHPL-OAQYLSRUSA-N 2 0 357.542 3.450 20 0 FGADRP C[NH+](C)CCOc1ccccc1C(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000437835649 500703737 /nfs/dbraw/zinc/70/37/37/500703737.db2.gz BFKWOFQMORXFLX-LJQANCHMSA-N 2 0 373.541 3.154 20 0 FGADRP C[NH+]1CCN(CCNc2cc[nH+]c3ccc(Oc4ccccc4)cc23)CC1 ZINC000433606148 500720102 /nfs/dbraw/zinc/72/01/02/500720102.db2.gz FQAHLJMSVWSQHA-UHFFFAOYSA-N 2 0 362.477 3.108 20 0 FGADRP CCc1cc(N2CCC[N@@H+](CC(=O)N(CC)CC)CC2)c2ccccc2[nH+]1 ZINC000443671227 500753555 /nfs/dbraw/zinc/75/35/55/500753555.db2.gz BYCZOIUIJOUJDI-UHFFFAOYSA-N 2 0 368.525 3.178 20 0 FGADRP C[C@H]1C[NH+](CCCC[NH2+]Cc2cnc(C(F)(F)F)s2)C[C@H](C)O1 ZINC000443971116 500785693 /nfs/dbraw/zinc/78/56/93/500785693.db2.gz TXSPATPBMFQCCF-RYUDHWBXSA-N 2 0 351.438 3.141 20 0 FGADRP O=C([C@@H]1CCC[N@@H+]1C1CCCC1)N1CCC[NH+](Cc2ccccc2)CC1 ZINC000438576817 500803457 /nfs/dbraw/zinc/80/34/57/500803457.db2.gz KLUNFHVDBKMKIJ-NRFANRHFSA-N 2 0 355.526 3.128 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@H]1CCCc2sccc21 ZINC000434189676 500808720 /nfs/dbraw/zinc/80/87/20/500808720.db2.gz OFSMSPGCJFIHLZ-WMZOPIPTSA-N 2 0 363.571 3.043 20 0 FGADRP CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)NCc1cccc(-n2ccnc2)c1 ZINC000438861904 500828392 /nfs/dbraw/zinc/82/83/92/500828392.db2.gz STCQRKLICDMOCE-FQEVSTJZSA-N 2 0 369.513 3.182 20 0 FGADRP C[C@@H](C(=O)N(C)[C@@H]1CC[N@H+](C)C[C@H]1C)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000607660296 506219314 /nfs/dbraw/zinc/21/93/14/506219314.db2.gz DVQKBLGEIRCFQL-XQBPLPMBSA-N 2 0 371.569 3.128 20 0 FGADRP COc1ccc(-n2cc(C[NH+]3CCC(CCC[NH+](C)C)CC3)cn2)cc1 ZINC000449026346 500902184 /nfs/dbraw/zinc/90/21/84/500902184.db2.gz FMRRGPVLAULZII-UHFFFAOYSA-N 2 0 356.514 3.435 20 0 FGADRP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]CCc2cn3c(n2)CCCC3)CC1 ZINC000449071291 500917006 /nfs/dbraw/zinc/91/70/06/500917006.db2.gz ARHWXOZKACCCSZ-LJQANCHMSA-N 2 0 366.553 3.447 20 0 FGADRP CC[NH+]1CCN([C@@H](C)C[NH2+]Cc2cnc(CCc3ccccc3)s2)CC1 ZINC000449076463 500918736 /nfs/dbraw/zinc/91/87/36/500918736.db2.gz HPJHUBMJMUZPNA-SFHVURJKSA-N 2 0 372.582 3.044 20 0 FGADRP CC[NH+](CC)CCOc1ccc(C[NH2+][C@@H]2C[C@@H](C)O[C@H]2C)cc1OC ZINC000449090673 500922724 /nfs/dbraw/zinc/92/27/24/500922724.db2.gz ODMZWSKZILFMCY-SOLBZPMBSA-N 2 0 350.503 3.071 20 0 FGADRP CCn1nnc(C)c1C[NH2+]CCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000449124547 500930805 /nfs/dbraw/zinc/93/08/05/500930805.db2.gz PKIRMLJPWSJFFC-UHFFFAOYSA-N 2 0 369.557 3.431 20 0 FGADRP NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+][C@@H]2CC[C@@H](c3ccc(Cl)cc3)C2)C1 ZINC000449134132 500932445 /nfs/dbraw/zinc/93/24/45/500932445.db2.gz HCKWGUKNUXZBNY-ZHALLVOQSA-N 2 0 363.933 3.153 20 0 FGADRP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]CCCOC2CCOCC2)CC1 ZINC000449160743 500937092 /nfs/dbraw/zinc/93/70/92/500937092.db2.gz MZOKGZVRXHMZAU-LJQANCHMSA-N 2 0 360.542 3.257 20 0 FGADRP C[NH2+][C@@H](CC(C)(C)C)C(=O)Nc1cccc(N2CC[NH+](C(C)C)CC2)c1 ZINC000449174877 500940817 /nfs/dbraw/zinc/94/08/17/500940817.db2.gz NKPIMKISAMDIRB-IBGZPJMESA-N 2 0 360.546 3.180 20 0 FGADRP C[C@@H](Cc1ccccc1)[NH+]1CCC(NC[C@]2([NH+](C)C)CCSC2)CC1 ZINC000449174965 500941064 /nfs/dbraw/zinc/94/10/64/500941064.db2.gz JGNRIQPBJBZKLB-GHTZIAJQSA-N 2 0 361.599 3.109 20 0 FGADRP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@@H](CO)Cc2ccc(F)cc2)CC1 ZINC000449204777 500947531 /nfs/dbraw/zinc/94/75/31/500947531.db2.gz JNNJRZWYZCSLLW-WZONZLPQSA-N 2 0 370.512 3.414 20 0 FGADRP Cc1cccc(NCC[NH2+]C2CC[NH+]([C@@H](C)Cc3ccccc3)CC2)n1 ZINC000449223874 500951745 /nfs/dbraw/zinc/95/17/45/500951745.db2.gz KSGLMJONZHQEDA-IBGZPJMESA-N 2 0 352.526 3.487 20 0 FGADRP Cc1cc(C[NH2+]Cc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)cs1 ZINC000449222665 500951952 /nfs/dbraw/zinc/95/19/52/500951952.db2.gz IHAGRLGARIYGJD-UHFFFAOYSA-N 2 0 357.523 3.172 20 0 FGADRP COCCO[C@@H]1COCC[C@@H]1[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449255821 500958773 /nfs/dbraw/zinc/95/87/73/500958773.db2.gz GKWUPKCDFCHPTF-RBUKOAKNSA-N 2 0 370.578 3.076 20 0 FGADRP C[NH2+]CC1CC[NH+](Cc2cn(-c3ccccc3)nc2-c2cccnc2)CC1 ZINC000435370314 500961164 /nfs/dbraw/zinc/96/11/64/500961164.db2.gz OJBNOYUYYCZCAW-UHFFFAOYSA-N 2 0 361.493 3.366 20 0 FGADRP COc1cccc(-c2nn(C(C)(C)C)cc2C[N@@H+]2CC[C@H]([C@@H](C)[NH3+])C2)c1 ZINC000435375289 500962370 /nfs/dbraw/zinc/96/23/70/500962370.db2.gz LMKWSTPALKHAEV-WBVHZDCISA-N 2 0 356.514 3.483 20 0 FGADRP C[C@@H]([NH3+])C1CC[NH+](Cc2cn(-c3ccccc3)nc2-c2cccnc2)CC1 ZINC000435375332 500962407 /nfs/dbraw/zinc/96/24/07/500962407.db2.gz MAFRJWHBJIWGIL-QGZVFWFLSA-N 2 0 361.493 3.494 20 0 FGADRP COc1ccc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cc1OCc1ccccc1 ZINC000435380878 500964033 /nfs/dbraw/zinc/96/40/33/500964033.db2.gz UFHLABSRIJXQBO-SLFFLAALSA-N 2 0 352.478 3.443 20 0 FGADRP C[C@H]([NH3+])C1CC[NH+](Cc2cc(Cl)ccc2OC[C@H]2CCCO2)CC1 ZINC000435381440 500964438 /nfs/dbraw/zinc/96/44/38/500964438.db2.gz WJDSNBYZUMTZPU-KBXCAEBGSA-N 2 0 352.906 3.457 20 0 FGADRP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3cnn(Cc4ccc(C(F)(F)F)cc4)c3)C[C@@H]12 ZINC000435388598 500965747 /nfs/dbraw/zinc/96/57/47/500965747.db2.gz HLVRJUMSJFQMPY-CGTJXYLNSA-N 2 0 364.415 3.119 20 0 FGADRP Cc1cc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc(C)c1OCc1ccccn1 ZINC000435391629 500966865 /nfs/dbraw/zinc/96/68/65/500966865.db2.gz SXBFZXYHVKFDMY-CEWLAPEOSA-N 2 0 351.494 3.447 20 0 FGADRP COc1ccc(CN2CCC[C@H](C)[C@H]2C[NH3+])cc1OCc1cccnc1 ZINC000435391361 500966878 /nfs/dbraw/zinc/96/68/78/500966878.db2.gz SEHDGDTYKKKVPB-QFBILLFUSA-N 2 0 355.482 3.228 20 0 FGADRP Cc1cc(C[NH+]2CCC(OCCN3C[C@@H](C)O[C@H](C)C3)CC2)cs1 ZINC000449325564 500977449 /nfs/dbraw/zinc/97/74/49/500977449.db2.gz NOEPJGAZUQWDQQ-HZPDHXFCSA-N 2 0 352.544 3.147 20 0 FGADRP COc1cccc2c(C[NH+]3CCC(C[NH+]4CCN(C)CC4)CC3)cccc12 ZINC000449325958 500977775 /nfs/dbraw/zinc/97/77/75/500977775.db2.gz QVQJYHRWHDGBSV-UHFFFAOYSA-N 2 0 367.537 3.308 20 0 FGADRP CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)N(C)CC[C@@H]1CCCC[NH+]1C ZINC000440171718 500983885 /nfs/dbraw/zinc/98/38/85/500983885.db2.gz BJIBQKZUIBXWJW-OALUTQOASA-N 2 0 352.567 3.013 20 0 FGADRP CCN(CC(=O)N(Cc1ccccc1)[C@@H](C)C1CC1)[C@@H]1CCC[NH2+]CC1 ZINC000435617246 501002646 /nfs/dbraw/zinc/00/26/46/501002646.db2.gz VOPDLHFABMNRJH-GHTZIAJQSA-N 2 0 357.542 3.278 20 0 FGADRP CCOc1ccccc1[C@H](CC)NC(=O)CN(CC)[C@H]1CCC[NH2+]CC1 ZINC000435629448 501004180 /nfs/dbraw/zinc/00/41/80/501004180.db2.gz XLLZEVAJHLKWSA-HKUYNNGSSA-N 2 0 361.530 3.117 20 0 FGADRP CCOc1ccccc1[C@H](CC)NC(=O)CN(CC)[C@@H]1CCC[NH2+]CC1 ZINC000435629450 501004500 /nfs/dbraw/zinc/00/45/00/501004500.db2.gz XLLZEVAJHLKWSA-MJGOQNOKSA-N 2 0 361.530 3.117 20 0 FGADRP CCN(CC(=O)N1CC[C@H](C)Sc2ccccc21)[C@@H]1CCC[NH2+]CC1 ZINC000435628702 501004743 /nfs/dbraw/zinc/00/47/43/501004743.db2.gz RNMQYTDZUBJMSF-DLBZAZTESA-N 2 0 361.555 3.368 20 0 FGADRP C[NH+](C)CCCC(C)(C)[NH2+]Cc1cn2ccc(Br)cc2n1 ZINC000449528575 501026566 /nfs/dbraw/zinc/02/65/66/501026566.db2.gz QJKCVWLGUGVQBR-UHFFFAOYSA-N 2 0 353.308 3.307 20 0 FGADRP C[C@H]1CN(Cc2ncc(CN(C)C)s2)CC[N@H+](Cc2ccccc2)C1 ZINC000449552857 501031400 /nfs/dbraw/zinc/03/14/00/501031400.db2.gz KRQNAHBEOYXCIC-QGZVFWFLSA-N 2 0 358.555 3.159 20 0 FGADRP C[C@@H]1C[C@@H](CCNC(=O)NCC2([NH+](C)C)CCC2)C[N@@H+]1Cc1ccccc1 ZINC000445875573 501045001 /nfs/dbraw/zinc/04/50/01/501045001.db2.gz OBXPOKAKPULVDH-UYAOXDASSA-N 2 0 372.557 3.071 20 0 FGADRP C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)NC2CCC(C[NH+](C)C)CC2)C1 ZINC000440819579 501052220 /nfs/dbraw/zinc/05/22/20/501052220.db2.gz MNOAZVFPQXYIKI-YXWAVELNSA-N 2 0 366.594 3.163 20 0 FGADRP CCC[N@@H+]1CC[C@H](CNC(=O)NCC[NH+]2CCC3(CCCCC3)CC2)C1 ZINC000440924604 501064315 /nfs/dbraw/zinc/06/43/15/501064315.db2.gz OHBGMQSRPKXDHD-LJQANCHMSA-N 2 0 364.578 3.064 20 0 FGADRP CC1(C)CCCC[N@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000446068419 501069255 /nfs/dbraw/zinc/06/92/55/501069255.db2.gz CODGAQHCRLXWRA-UHFFFAOYSA-N 2 0 357.542 3.411 20 0 FGADRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2ncc(-c3ccccc3)s2)CC1 ZINC000449747015 501074038 /nfs/dbraw/zinc/07/40/38/501074038.db2.gz VGNUUEAFDVUCJB-UHFFFAOYSA-N 2 0 358.555 3.316 20 0 FGADRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2cccc(-c3ccncc3)c2)CC1 ZINC000449746224 501074047 /nfs/dbraw/zinc/07/40/47/501074047.db2.gz QOSHJMYKOJDIRX-UHFFFAOYSA-N 2 0 352.526 3.254 20 0 FGADRP C[NH+](C)C1(CNC(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)CCC1 ZINC000446124855 501078144 /nfs/dbraw/zinc/07/81/44/501078144.db2.gz CWEROVKCCCLBFP-UHFFFAOYSA-N 2 0 372.557 3.346 20 0 FGADRP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2CCOc1cccc2ccccc21 ZINC000441260042 501109747 /nfs/dbraw/zinc/10/97/47/501109747.db2.gz FKUPLLGMJBIPHZ-CBQOVEMMSA-N 2 0 354.494 3.402 20 0 FGADRP CC(C)C1CC[NH+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000441453226 501142098 /nfs/dbraw/zinc/14/20/98/501142098.db2.gz YHMGMGROVCCGHN-UHFFFAOYSA-N 2 0 357.542 3.267 20 0 FGADRP COc1ccc(C[NH2+]CC2CC[NH+](C3CC3)CC2)cc1Br ZINC000446884767 501177788 /nfs/dbraw/zinc/17/77/88/501177788.db2.gz RFMBUVLMQUADLW-UHFFFAOYSA-N 2 0 353.304 3.422 20 0 FGADRP CC(C)N1CCCC[C@H]1C[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000450715822 501192847 /nfs/dbraw/zinc/19/28/47/501192847.db2.gz XQDPNFHCDUHACA-NRFANRHFSA-N 2 0 351.579 3.074 20 0 FGADRP COc1cc(C[N@@H+]2CC[C@H](Nc3cc[nH+]c4ccccc34)C2)cc(OC)c1 ZINC000447058884 501198424 /nfs/dbraw/zinc/19/84/24/501198424.db2.gz JQMUECTZJGKVRW-KRWDZBQOSA-N 2 0 363.461 3.360 20 0 FGADRP COC1([C@H](C)[NH2+]CC2CC[NH+](Cc3cccs3)CC2)CCOCC1 ZINC000453080188 501264597 /nfs/dbraw/zinc/26/45/97/501264597.db2.gz DSPJSFGJVPIZKM-INIZCTEOSA-N 2 0 352.544 3.134 20 0 FGADRP CC[C@H](C)NC(=O)CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000453087044 501265995 /nfs/dbraw/zinc/26/59/95/501265995.db2.gz VHNXDPRYCARPBN-WJMWBRGCSA-N 2 0 357.542 3.324 20 0 FGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@H](C)c2cc(-c3ccccc3)nn2C)CC1 ZINC000453103311 501269811 /nfs/dbraw/zinc/26/98/11/501269811.db2.gz BWTZPIHQVNOYCM-RBUKOAKNSA-N 2 0 369.557 3.011 20 0 FGADRP c1ccc(C[N@H+]2CC[C@H]([NH2+]CCCOC[C@@H]3CCOC3)[C@H]3CCC[C@H]32)cc1 ZINC000453120981 501273371 /nfs/dbraw/zinc/27/33/71/501273371.db2.gz KMOFODZGVSRKCS-GSPCLOLRSA-N 2 0 372.553 3.462 20 0 FGADRP CC(C)(C)NC(=O)C[NH+]1CCC(C[NH2+]C2CCc3ccccc3CC2)CC1 ZINC000453137377 501277138 /nfs/dbraw/zinc/27/71/38/501277138.db2.gz VRCCRWWINGRAAM-UHFFFAOYSA-N 2 0 371.569 3.150 20 0 FGADRP CCNC(=O)C1(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)CCC1 ZINC000453224792 501294535 /nfs/dbraw/zinc/29/45/35/501294535.db2.gz XASWYOPKMQIDLP-NJDAHSKKSA-N 2 0 369.553 3.326 20 0 FGADRP C[C@@H]([NH2+]C[C@H](O)Cc1cccc(F)c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000453248372 501298639 /nfs/dbraw/zinc/29/86/39/501298639.db2.gz PNGIZAGPLMSMKL-OXQOHEQNSA-N 2 0 360.473 3.020 20 0 FGADRP CCCOc1c(OC)cc(CC[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)cc1OC ZINC000453312571 501312550 /nfs/dbraw/zinc/31/25/50/501312550.db2.gz VGVFAIVQUQNVTP-WBVHZDCISA-N 2 0 350.503 3.107 20 0 FGADRP C[NH+](C)CCCC(C)(C)NC(=O)NCC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC000457821075 501316672 /nfs/dbraw/zinc/31/66/72/501316672.db2.gz WALWUGZSIBQWRI-UHFFFAOYSA-N 2 0 374.573 3.243 20 0 FGADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+][C@H]1CCc2nc(-c3ccc(F)cc3F)cn2C1 ZINC000453380066 501322057 /nfs/dbraw/zinc/32/20/57/501322057.db2.gz ZMDUYSGSQBWCDU-ZLHSVIROSA-N 2 0 374.479 3.461 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)Cc2cc(F)cc(OC)c2)[C@@H](C)C1 ZINC000453414385 501326947 /nfs/dbraw/zinc/32/69/47/501326947.db2.gz YSIZBFRXURTXOM-FIKGOQFSSA-N 2 0 366.521 3.492 20 0 FGADRP CO[C@@H]1CC[N@H+](Cc2cccc(C[NH+]3CC[C@H](OC)[C@@H](C)C3)c2)C[C@@H]1C ZINC000451572629 501327705 /nfs/dbraw/zinc/32/77/05/501327705.db2.gz QTKAJVSDUXXEQI-YHDSQAASSA-N 2 0 360.542 3.400 20 0 FGADRP Cc1cc(Br)c(C[NH2+]CC2(O)CC[NH+](C(C)C)CC2)s1 ZINC000453576541 501352226 /nfs/dbraw/zinc/35/22/26/501352226.db2.gz VQQYHSZEAHVINC-UHFFFAOYSA-N 2 0 361.349 3.144 20 0 FGADRP Cc1cc(NC(=O)[C@@H](Cc2ccccc2)[NH+](C)C)ccc1OCC[NH+](C)C ZINC000458192344 501388762 /nfs/dbraw/zinc/38/87/62/501388762.db2.gz HLGGPEHHHQESNO-HXUWFJFHSA-N 2 0 369.509 3.047 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)N1CC[NH+](CC(C)C)CC1)c1ccccc1 ZINC000611673213 506250362 /nfs/dbraw/zinc/25/03/62/506250362.db2.gz GWFQESXZTOGBMY-FQEVSTJZSA-N 2 0 360.546 3.053 20 0 FGADRP CC[NH+]1CCN(CC(C)(C)[NH2+]CCn2ccc3cc(Cl)ccc32)CC1 ZINC000451975905 501412365 /nfs/dbraw/zinc/41/23/65/501412365.db2.gz AKUSLEHYIDQNLQ-UHFFFAOYSA-N 2 0 362.949 3.300 20 0 FGADRP C[NH+](C)[C@@H]1CCc2cc(NC(=O)N3CC[C@H]4[C@H](CCC[N@@H+]4C)C3)ccc21 ZINC000455924877 501417258 /nfs/dbraw/zinc/41/72/58/501417258.db2.gz MTMYBHHPQOORRC-LSTHTHJFSA-N 2 0 356.514 3.184 20 0 FGADRP C[NH+](C)[C@H]1CCc2cc(NC(=O)N3CCC([NH+]4CC=CC4)CC3)ccc21 ZINC000455928988 501418592 /nfs/dbraw/zinc/41/85/92/501418592.db2.gz NZDSIRMZGORVML-FQEVSTJZSA-N 2 0 354.498 3.104 20 0 FGADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)C1 ZINC000455949730 501424053 /nfs/dbraw/zinc/42/40/53/501424053.db2.gz YYNUGHKCIOZBIV-JXFKEZNVSA-N 2 0 358.530 3.431 20 0 FGADRP CC[C@H]1C[N@H+](CC)CCN1C(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000458396837 501435778 /nfs/dbraw/zinc/43/57/78/501435778.db2.gz DBLUEYFVLXKHLV-RXVVDRJESA-N 2 0 372.557 3.338 20 0 FGADRP C[NH+](C)CC[C@@H](NC(=O)N(CC[NH+](C)C)Cc1ccsc1)C(C)(C)C ZINC000458431949 501443412 /nfs/dbraw/zinc/44/34/12/501443412.db2.gz YFLAXARFSMEGDI-QGZVFWFLSA-N 2 0 368.591 3.188 20 0 FGADRP CCC[N@H+](CC)Cc1ccc(C(=O)N2CC[NH+](C3CC3)C[C@H](C)C2)cc1 ZINC000452175940 501454230 /nfs/dbraw/zinc/45/42/30/501454230.db2.gz UVGXMUCYQVOREH-SFHVURJKSA-N 2 0 357.542 3.475 20 0 FGADRP O=C(NCCCCC[NH+]1CCCC1)NCc1ccccc1C[NH+]1CCCC1 ZINC000454177092 501476580 /nfs/dbraw/zinc/47/65/80/501476580.db2.gz UDCRWCJUIPUQNZ-UHFFFAOYSA-N 2 0 372.557 3.348 20 0 FGADRP O=C(NCCCCC[NH+]1CCCC1)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000454241694 501489993 /nfs/dbraw/zinc/48/99/93/501489993.db2.gz RWDZPZDTDYOAFC-NRFANRHFSA-N 2 0 372.557 3.389 20 0 FGADRP CC[C@@H]1C[N@H+](CC)CCN1C(=O)N[C@H](C)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000458654958 501499746 /nfs/dbraw/zinc/49/97/46/501499746.db2.gz BWDGGRFZDPKMOH-HMXCVIKNSA-N 2 0 372.557 3.023 20 0 FGADRP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)NC[C@H](C2CC2)[NH+](C)Cc2ccccc2)C1 ZINC000458665699 501502492 /nfs/dbraw/zinc/50/24/92/501502492.db2.gz JCFAYWYUBVVNOJ-LEWJYISDSA-N 2 0 372.557 3.021 20 0 FGADRP C[N@H+](Cc1ccccc1)C1(CNC(=O)NCC[C@@H]2CCC[NH+](C)C2)CCC1 ZINC000458971461 501568537 /nfs/dbraw/zinc/56/85/37/501568537.db2.gz KAULLTMHBDKMHS-FQEVSTJZSA-N 2 0 372.557 3.072 20 0 FGADRP CCCN(CC[NH+]1CCCCCC1)C(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000459096502 501593168 /nfs/dbraw/zinc/59/31/68/501593168.db2.gz IOSMMIRXXJXVJQ-UHFFFAOYSA-N 2 0 364.578 3.301 20 0 FGADRP C[N@H+](Cc1ccccc1)CC(C)(C)NC(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000459122419 501597794 /nfs/dbraw/zinc/59/77/94/501597794.db2.gz ZPRAJRJCCSAJPV-UHFFFAOYSA-N 2 0 372.557 3.213 20 0 FGADRP C[NH+](C)C[C@@H](NC(=O)NCCCC[N@H+](C)C1CC1)c1ccc(Cl)cc1 ZINC000459133040 501600625 /nfs/dbraw/zinc/60/06/25/501600625.db2.gz BZFPVVSMSONRRZ-GOSISDBHSA-N 2 0 366.937 3.116 20 0 FGADRP CC(C)OC[C@H](O)C[N@@H+]1CC(C)(C)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000453017197 501602165 /nfs/dbraw/zinc/60/21/65/501602165.db2.gz MSKUJJQPIKZQAF-FGZHOGPDSA-N 2 0 374.569 3.395 20 0 FGADRP CCOCC[C@H](O)C[N@@H+]1CC(C)(C)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000453030709 501604627 /nfs/dbraw/zinc/60/46/27/501604627.db2.gz YQSDJPKJJIMTES-FCHUYYIVSA-N 2 0 374.569 3.397 20 0 FGADRP Cc1nc2ccccc2n1CC[NH2+]Cc1ccccc1N1CCO[C@H](C)C1 ZINC000459371914 501641191 /nfs/dbraw/zinc/64/11/91/501641191.db2.gz HLGWAQFZAZZMNL-QGZVFWFLSA-N 2 0 364.493 3.360 20 0 FGADRP Cn1cncc1CC[N@@H+]1CCCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000459376744 501642105 /nfs/dbraw/zinc/64/21/05/501642105.db2.gz RXIASTMBYVKLES-UHFFFAOYSA-N 2 0 353.297 3.482 20 0 FGADRP c1ncn(CC[N@@H+]2CCCCC[C@H]2C2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000459529636 501670539 /nfs/dbraw/zinc/67/05/39/501670539.db2.gz SBGTVCFPTZSLFJ-QFIPXVFZSA-N 2 0 367.541 3.435 20 0 FGADRP CC(C)[NH+]1CCC(NC(=O)C[N@H+](C)[C@@H]2CCC[C@H]2c2ccccc2)CC1 ZINC000459678638 501697955 /nfs/dbraw/zinc/69/79/55/501697955.db2.gz RWQOOYXNWMQSDB-LEWJYISDSA-N 2 0 357.542 3.244 20 0 FGADRP CC[NH+](CC)Cc1ccc(CNC(=O)N2CC[N@@H+](C3CC3)C[C@@H](C)C2)cc1 ZINC000457538170 501718696 /nfs/dbraw/zinc/71/86/96/501718696.db2.gz WZYAAYMBNHSDSJ-GOSISDBHSA-N 2 0 372.557 3.154 20 0 FGADRP CCCC[N@H+](C)C[C@H](C)NC(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000460163837 501745709 /nfs/dbraw/zinc/74/57/09/501745709.db2.gz CRNGGELBOOHATB-SFHVURJKSA-N 2 0 360.546 3.202 20 0 FGADRP CC[NH+](CC)CCOC1CC[NH+](Cc2ccnn2-c2ccc(F)cc2)CC1 ZINC000474284801 501775597 /nfs/dbraw/zinc/77/55/97/501775597.db2.gz SMIRQOSGRXYZIC-UHFFFAOYSA-N 2 0 374.504 3.334 20 0 FGADRP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2ccc3c(c2)CC[NH2+]CC3)C1 ZINC000474317387 501787279 /nfs/dbraw/zinc/78/72/79/501787279.db2.gz MGXZNZHRNWBFDT-KRWDZBQOSA-N 2 0 357.542 3.005 20 0 FGADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)NC1CC([NH+]2CCCCC2)C1)c1ccccc1 ZINC000474357580 501804149 /nfs/dbraw/zinc/80/41/49/501804149.db2.gz QGNUZGBCZXVXDU-QHGAOEGBSA-N 2 0 372.557 3.432 20 0 FGADRP Cc1ccc([C@@H](C)[N@H+](C)CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)cc1 ZINC000460382870 501809916 /nfs/dbraw/zinc/80/99/16/501809916.db2.gz VJPKKQPMZDOYGX-WIYYLYMNSA-N 2 0 353.510 3.407 20 0 FGADRP C[C@H]([NH2+][C@H]1CC(=O)N(c2ccccc2)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000477855714 501810197 /nfs/dbraw/zinc/81/01/97/501810197.db2.gz ILOXKDNQNWYRDC-HKUYNNGSSA-N 2 0 367.493 3.083 20 0 FGADRP CC(C)(C[NH2+]C1CCN(Cc2ccccn2)CC1)c1ccc2c(c1)OCO2 ZINC000481728401 501865822 /nfs/dbraw/zinc/86/58/22/501865822.db2.gz UDFINSAUFXLPRW-UHFFFAOYSA-N 2 0 367.493 3.342 20 0 FGADRP C[C@@H](Cc1ccccc1C(F)(F)F)[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000481921506 501919224 /nfs/dbraw/zinc/91/92/24/501919224.db2.gz HEKZZTJTOURKPQ-INIZCTEOSA-N 2 0 357.464 3.254 20 0 FGADRP C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)CC[N@@H+]2CCc3ccccc3C2)C1 ZINC000474729808 501935697 /nfs/dbraw/zinc/93/56/97/501935697.db2.gz GTVFECFFAAGXTR-PMACEKPBSA-N 2 0 371.569 3.309 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCc2ccn(-c3ccccc3)n2)[C@@H](C)C1 ZINC000482038275 501953869 /nfs/dbraw/zinc/95/38/69/501953869.db2.gz YMOCIQRWXXABOT-UGKGYDQZSA-N 2 0 370.541 3.141 20 0 FGADRP COC(=O)CC1CCC([NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)CC1 ZINC000599027125 506284798 /nfs/dbraw/zinc/28/47/98/506284798.db2.gz JDQSTXLYMHZODR-UHFFFAOYSA-N 2 0 374.525 3.373 20 0 FGADRP C[NH+](C)Cc1ccc(C[NH2+]Cc2ccc(Cl)cc2-n2cncn2)cc1F ZINC000474880406 501978995 /nfs/dbraw/zinc/97/89/95/501978995.db2.gz PTUJYCAHQIALOR-UHFFFAOYSA-N 2 0 373.863 3.411 20 0 FGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC2(c3ccccc3OC)CC2)[C@H](C)C1 ZINC000482129044 501983283 /nfs/dbraw/zinc/98/32/83/501983283.db2.gz RKXIDNDLCMDILI-UYAOXDASSA-N 2 0 360.542 3.453 20 0 FGADRP CCCN(C(=O)[C@@H]1C[NH+](C)C[C@@H]1C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000486027831 502023405 /nfs/dbraw/zinc/02/34/05/502023405.db2.gz KVWMDCVJWASXMJ-CEWLAPEOSA-N 2 0 357.542 3.087 20 0 FGADRP C[C@@H](CC[NH+]1CCC(CC[NH+]2CCOCC2)CC1)OCc1ccccc1 ZINC000475050058 502037280 /nfs/dbraw/zinc/03/72/80/502037280.db2.gz ULTUBCMCBUXKHC-FQEVSTJZSA-N 2 0 360.542 3.416 20 0 FGADRP C[C@@H](CC[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1)OCc1ccccc1 ZINC000475056911 502038874 /nfs/dbraw/zinc/03/88/74/502038874.db2.gz ONYMAMSSAOEHSC-RBBKRZOGSA-N 2 0 359.558 3.084 20 0 FGADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000468416439 502053902 /nfs/dbraw/zinc/05/39/02/502053902.db2.gz ILFDQWPRKAHHRE-GUDVDZBRSA-N 2 0 357.542 3.408 20 0 FGADRP Cc1cccc(C)c1[C@@H](C)[NH2+]CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000475126774 502070200 /nfs/dbraw/zinc/07/02/00/502070200.db2.gz GSJQOULKYJOZON-UYAOXDASSA-N 2 0 353.510 3.373 20 0 FGADRP c1cc2c(s1)CCC[C@H]2[NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000482453683 502071992 /nfs/dbraw/zinc/07/19/92/502071992.db2.gz CSOLCKJTKJQZBG-GOSISDBHSA-N 2 0 371.554 3.108 20 0 FGADRP COc1ccc(C2CCC([NH2+][C@H](C)CCN3CC[NH+](C)CC3)CC2)cc1 ZINC000471596670 502080518 /nfs/dbraw/zinc/08/05/18/502080518.db2.gz LVMZLBWRVBMQHD-LWEYNCJUSA-N 2 0 359.558 3.337 20 0 FGADRP CCN(C(=O)NCC[NH+](CC)C(C)C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475154172 502082972 /nfs/dbraw/zinc/08/29/72/502082972.db2.gz GNXYGAWTIZTQEM-HXUWFJFHSA-N 2 0 360.546 3.023 20 0 FGADRP COc1ccsc1[C@H](C)[NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000471602018 502083078 /nfs/dbraw/zinc/08/30/78/502083078.db2.gz BAGATRYUZFOWBL-AWEZNQCLSA-N 2 0 367.559 3.034 20 0 FGADRP Cc1cccc(C(C)(C)[NH2+]CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)c1 ZINC000475153172 502083130 /nfs/dbraw/zinc/08/31/30/502083130.db2.gz FOZUBUXVRSPJLB-HXUWFJFHSA-N 2 0 353.510 3.239 20 0 FGADRP CCN(C(=O)NCC[NH+]1CCC[C@H](C)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475169118 502089283 /nfs/dbraw/zinc/08/92/83/502089283.db2.gz JPLFAYIQHIDAPU-FPOVZHCZSA-N 2 0 372.557 3.024 20 0 FGADRP CC[C@@H]([NH2+][C@@H](C)CCN1CC[NH+](C)CC1)c1cc(Cl)ccc1OC ZINC000471620254 502091108 /nfs/dbraw/zinc/09/11/08/502091108.db2.gz PWQJTPWHAWWZDU-MAUKXSAKSA-N 2 0 353.938 3.415 20 0 FGADRP Cc1oc2ccccc2c1CNC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000468530640 502093577 /nfs/dbraw/zinc/09/35/77/502093577.db2.gz UAGBBQFWTKYDRN-UHFFFAOYSA-N 2 0 374.529 3.156 20 0 FGADRP COc1ccc2c(c1)[C@@H]([NH2+]CCc1ccc(OCC[NH+](C)C)cc1)CC2 ZINC000482538895 502105364 /nfs/dbraw/zinc/10/53/64/502105364.db2.gz QQQHVYJPIPGYCY-QFIPXVFZSA-N 2 0 354.494 3.455 20 0 FGADRP CCC[C@H]([NH2+]C(C)C)C(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461445094 502117085 /nfs/dbraw/zinc/11/70/85/502117085.db2.gz BTSRRIVEBAJWES-NJYVYQBISA-N 2 0 357.542 3.134 20 0 FGADRP [NH3+]C[C@H](Cc1ccccc1)[C@H]1CCCCN1CC(=O)Nc1ccccc1 ZINC000471832154 502147935 /nfs/dbraw/zinc/14/79/35/502147935.db2.gz JUAJOGVVWAXZJD-PZJWPPBQSA-N 2 0 351.494 3.297 20 0 FGADRP CC[NH+](CC)CCN(CC(C)C)C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000475362298 502149080 /nfs/dbraw/zinc/14/90/80/502149080.db2.gz VSIAHNNOROQSIX-UHFFFAOYSA-N 2 0 352.567 3.013 20 0 FGADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H]1CCCc2nn(-c3ccccc3)cc21 ZINC000479075130 502156092 /nfs/dbraw/zinc/15/60/92/502156092.db2.gz AZJYRDBUCHXBDE-UYAOXDASSA-N 2 0 356.514 3.196 20 0 FGADRP CC[NH+](CC)[C@H]1CCN(C(=O)[C@H](C)[NH+]2CCC(Cc3ccccc3)CC2)C1 ZINC000464965040 502159199 /nfs/dbraw/zinc/15/91/99/502159199.db2.gz UASIDNWLZHKWMN-UGKGYDQZSA-N 2 0 371.569 3.272 20 0 FGADRP C[NH+](C)Cc1c2ccccc2oc1C(=O)NCC[N@H+](C)C1CCCCC1 ZINC000468739773 502166281 /nfs/dbraw/zinc/16/62/81/502166281.db2.gz SFWMPMYKGMQEFN-UHFFFAOYSA-N 2 0 357.498 3.489 20 0 FGADRP C[C@@H](C[NH+]1CCCCCC1)NC(=O)NCCCC[N@@H+]1CCCC[C@H]1C ZINC000482738800 502166364 /nfs/dbraw/zinc/16/63/64/502166364.db2.gz GUCRGDQTJCIWLG-RBUKOAKNSA-N 2 0 352.567 3.205 20 0 FGADRP CC(C)[C@H]1CN(C(=O)NC2CC[NH+]([C@@H](C)c3ccccc3)CC2)CC[N@@H+]1C ZINC000486512525 502177067 /nfs/dbraw/zinc/17/70/67/502177067.db2.gz ADMREMYACLVTMX-GHTZIAJQSA-N 2 0 372.557 3.194 20 0 FGADRP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@H](C[NH3+])c2ccc(F)cc2)CC1 ZINC000479223101 502197461 /nfs/dbraw/zinc/19/74/61/502197461.db2.gz LFGSRSNJFZPADW-IIBYNOLFSA-N 2 0 369.484 3.210 20 0 FGADRP CCCN(CCC[NH+](C)C)C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000468847865 502203702 /nfs/dbraw/zinc/20/37/02/502203702.db2.gz DTMSCGLXZUQGCM-FQEVSTJZSA-N 2 0 360.546 3.024 20 0 FGADRP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+][C@H]1CCCOc2ccc(Cl)cc21 ZINC000482885111 502207157 /nfs/dbraw/zinc/20/71/57/502207157.db2.gz CZXKUQQWOWQCKE-WMZOPIPTSA-N 2 0 352.906 3.380 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC1(C(=O)N(C)C)CCCC1 ZINC000482940252 502221803 /nfs/dbraw/zinc/22/18/03/502221803.db2.gz DEGWXYSLIHYZPT-QUCCMNQESA-N 2 0 357.542 3.135 20 0 FGADRP CC[NH+](CC)CCOc1ccccc1C[NH2+][C@@H]1CCCc2nn(C)cc21 ZINC000479338323 502228419 /nfs/dbraw/zinc/22/84/19/502228419.db2.gz VSOXDFSRHJKFEL-LJQANCHMSA-N 2 0 356.514 3.308 20 0 FGADRP O=C(N[C@H]1CC[N@H+](CC2CCCC2)C1)[C@@H]1CCCCN1Cc1ccccc1 ZINC000468915138 502228632 /nfs/dbraw/zinc/22/86/32/502228632.db2.gz KKBNFMHKNPBDNA-VXKWHMMOSA-N 2 0 369.553 3.422 20 0 FGADRP CCN(CCC[NH+]1CCCC1)C(=O)N[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000472110108 502234866 /nfs/dbraw/zinc/23/48/66/502234866.db2.gz HMEBYFWBMLPWCT-TZIWHRDSSA-N 2 0 372.557 3.339 20 0 FGADRP Fc1ccc2cc(C[NH2+]CCN3CC[NH+](Cc4ccccc4)CC3)[nH]c2c1 ZINC000486699944 502236571 /nfs/dbraw/zinc/23/65/71/502236571.db2.gz YJEZXJLLOQLYBE-UHFFFAOYSA-N 2 0 366.484 3.214 20 0 FGADRP C[C@@H](CCCCN1C(=O)c2ccccc2C1=O)[NH2+]CCC1CC[NH+](C)CC1 ZINC000472144673 502247073 /nfs/dbraw/zinc/24/70/73/502247073.db2.gz VHPQKMUCPSTCQE-KRWDZBQOSA-N 2 0 371.525 3.163 20 0 FGADRP CCCC[N@H+](C)C[C@@H](C)NC(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000462001808 502269500 /nfs/dbraw/zinc/26/95/00/502269500.db2.gz JDEOELMKKHDEHC-LJQANCHMSA-N 2 0 374.573 3.413 20 0 FGADRP CC(C)[N@@H+](C)C[C@H](C)NC(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000462013769 502274063 /nfs/dbraw/zinc/27/40/63/502274063.db2.gz LGDARZUEPOGNGC-SFHVURJKSA-N 2 0 360.546 3.021 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCC(C)(C)c1ccccc1 ZINC000465550144 502303134 /nfs/dbraw/zinc/30/31/34/502303134.db2.gz WLGCBGKJDIVYOQ-FQEVSTJZSA-N 2 0 374.573 3.022 20 0 FGADRP CC1CC[NH+](Cc2ccc(CNC(=O)N[C@H]3CC[N@H+](C)[C@H](C)C3)cc2)CC1 ZINC000465555469 502307374 /nfs/dbraw/zinc/30/73/74/502307374.db2.gz XKTCWXXKYBJZBL-NQIIRXRSSA-N 2 0 372.557 3.200 20 0 FGADRP CCC(CC)[C@H](CNC(=O)NCCC1CC[NH+](CC)CC1)[NH+]1CCCC1 ZINC000465572202 502311461 /nfs/dbraw/zinc/31/14/61/502311461.db2.gz MAMVZMMBJHZAHQ-FQEVSTJZSA-N 2 0 366.594 3.308 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CNC(=O)NCc1ccccc1C[NH+]1CCCC[C@@H]1C ZINC000465581312 502314641 /nfs/dbraw/zinc/31/46/41/502314641.db2.gz YFZFBTOHVJIPRC-RXVVDRJESA-N 2 0 372.557 3.345 20 0 FGADRP C[C@@H](CC[NH+](C)C)NC(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000475902877 502327298 /nfs/dbraw/zinc/32/72/98/502327298.db2.gz XFPUBIOKFHDENK-SIKLNZKXSA-N 2 0 372.557 3.024 20 0 FGADRP CC[C@@H](CNC(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@@H+]1CC)c1ccccc1 ZINC000465630682 502330956 /nfs/dbraw/zinc/33/09/56/502330956.db2.gz LZKVMKSXTLZTLD-PZJWPPBQSA-N 2 0 374.573 3.238 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H](C)c1ccc(C)cc1 ZINC000465653698 502337737 /nfs/dbraw/zinc/33/77/37/502337737.db2.gz FWJRXIHISBQRRT-UYAOXDASSA-N 2 0 360.546 3.114 20 0 FGADRP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)N1CC([NH+](C)Cc2ccccc2)C1 ZINC000479675915 502340412 /nfs/dbraw/zinc/34/04/12/502340412.db2.gz OACVVYZUQFTOFE-IBGZPJMESA-N 2 0 372.557 3.167 20 0 FGADRP CC(C)(C)NC(=O)C[NH+]1CCC(C[NH2+]Cc2cc(Cl)cs2)CC1 ZINC000487262370 502404052 /nfs/dbraw/zinc/40/40/52/502404052.db2.gz CLKRPIGSXVEHAL-UHFFFAOYSA-N 2 0 357.951 3.118 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H](NC[C@@H](c2ccco2)[NH+]2CCCC2)[C@@H](C)C1 ZINC000479876620 502406000 /nfs/dbraw/zinc/40/60/00/502406000.db2.gz UIFWXWCWXOGTPD-UFYCRDLUSA-N 2 0 363.546 3.143 20 0 FGADRP C[C@H](CNC(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1)[NH+](C)Cc1ccccc1 ZINC000465890955 502416687 /nfs/dbraw/zinc/41/66/87/502416687.db2.gz KPUPGCBDAUYLKO-WIYYLYMNSA-N 2 0 372.557 3.071 20 0 FGADRP O=C(CC[N@@H+]1CC[C@]2(CC[NH2+]C2)C1)N[C@H](c1cccs1)c1ccccc1 ZINC000462411150 502427383 /nfs/dbraw/zinc/42/73/83/502427383.db2.gz WHAJSKPQTIGCFB-SFTDATJTSA-N 2 0 369.534 3.029 20 0 FGADRP CC[NH+](CC)[C@H]1CCN(C(=O)NC2CC[NH+]([C@H](C)c3ccccc3)CC2)C1 ZINC000466018552 502455992 /nfs/dbraw/zinc/45/59/92/502455992.db2.gz OQXJAYIPTXZJGU-NQIIRXRSSA-N 2 0 372.557 3.338 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NCCCC[NH+]2C[C@H](C)C[C@H](C)C2)C[C@@H]1C ZINC000483690444 502464841 /nfs/dbraw/zinc/46/48/41/502464841.db2.gz GQHAJZIVTXAGBQ-YRPNKDGESA-N 2 0 366.594 3.259 20 0 FGADRP C[C@@H](CCNC(=O)NCC1([NH+](C)C)CCCC1)[N@H+](C)Cc1ccccc1 ZINC000472933552 502475497 /nfs/dbraw/zinc/47/54/97/502475497.db2.gz YYSJYZDKEAGFRG-SFHVURJKSA-N 2 0 360.546 3.071 20 0 FGADRP CC(C)[N@H+](C)C[C@@H](C)NC(=O)N(CC[NH+](C)C)Cc1cccc(Cl)c1 ZINC000462538511 502480318 /nfs/dbraw/zinc/48/03/18/502480318.db2.gz ZIYFOZRMOPKIHV-MRXNPFEDSA-N 2 0 368.953 3.142 20 0 FGADRP c1ccc(CN2CCC([NH2+]Cc3ccc(C[NH+]4CCCC4)cc3)CC2)nc1 ZINC000480162919 502488038 /nfs/dbraw/zinc/48/80/38/502488038.db2.gz CTRWRTPTVLXQQT-UHFFFAOYSA-N 2 0 364.537 3.432 20 0 FGADRP C[C@@H]1C[N@@H+](CC2CC[NH+](CCCOCCc3ccccc3)CC2)C[C@H](C)O1 ZINC000588711550 506317784 /nfs/dbraw/zinc/31/77/84/506317784.db2.gz QCPXWYDWOGUDOJ-OYRHEFFESA-N 2 0 374.569 3.457 20 0 FGADRP C[C@H](CNC(=O)N[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1)C[NH+]1CCCCC1 ZINC000466242328 502514212 /nfs/dbraw/zinc/51/42/12/502514212.db2.gz URQNKFVPIZIUKM-SVFBPWRDSA-N 2 0 372.557 3.071 20 0 FGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCc2ccc(-n3cccn3)cc2)[C@@H](C)C1 ZINC000480304887 502532401 /nfs/dbraw/zinc/53/24/01/502532401.db2.gz DTBGMHUSOJUVBT-SIKLNZKXSA-N 2 0 370.541 3.141 20 0 FGADRP C[NH+](C)C1CCN(CC[NH2+]Cc2ccc(-c3cccc(F)c3F)o2)CC1 ZINC000480345076 502543172 /nfs/dbraw/zinc/54/31/72/502543172.db2.gz YQSJSAJXOZLTNX-UHFFFAOYSA-N 2 0 363.452 3.340 20 0 FGADRP CCN(C)c1ccc(C[NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)cn1 ZINC000480364761 502547924 /nfs/dbraw/zinc/54/79/24/502547924.db2.gz ZVIPNFYHJVTBMH-UHFFFAOYSA-N 2 0 368.525 3.302 20 0 FGADRP C[C@H](C[NH+]1CCCCC1)NC(=O)N[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000487894079 502558535 /nfs/dbraw/zinc/55/85/35/502558535.db2.gz HOIJKVKNYJRVDH-DYXWJJEUSA-N 2 0 372.557 3.071 20 0 FGADRP CCC[C@H]([NH2+]C(C)C)C(=O)NC[C@H](c1cccc(OC)c1)[NH+]1CCCC1 ZINC000473290664 502559928 /nfs/dbraw/zinc/55/99/28/502559928.db2.gz AKOCPQAIPXMDPW-VQTJNVASSA-N 2 0 361.530 3.115 20 0 FGADRP CCOCCOc1ccc(Br)cc1CN1C[C@H](C[NH3+])C[C@H]1C ZINC000469865543 502574681 /nfs/dbraw/zinc/57/46/81/502574681.db2.gz JUNSNDFXODAACM-KGLIPLIRSA-N 2 0 371.319 3.034 20 0 FGADRP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH2+]CCc1cn2c(n1)SCC2 ZINC000466474557 502581120 /nfs/dbraw/zinc/58/11/20/502581120.db2.gz PFOSNBQQHNKIOR-UHFFFAOYSA-N 2 0 358.555 3.279 20 0 FGADRP CCC[N@H+](C)[C@H](CNC(=O)[C@@H]1C[NH+](C)C[C@@H]1C)c1ccc(Cl)cc1 ZINC000487965683 502582174 /nfs/dbraw/zinc/58/21/74/502582174.db2.gz WWBQYHOVNDEQSF-BMGDILEWSA-N 2 0 351.922 3.037 20 0 FGADRP CC(C)[C@H](C(=O)NC[C@H](c1cccc(C(F)(F)F)c1)[NH+](C)C)[NH+](C)C ZINC000469883210 502582484 /nfs/dbraw/zinc/58/24/84/502582484.db2.gz HTWULNGKXLPJAX-HZPDHXFCSA-N 2 0 359.436 3.011 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC000462823673 502588841 /nfs/dbraw/zinc/58/88/41/502588841.db2.gz WGUNHIGXGNYMNO-CBQOVEMMSA-N 2 0 369.553 3.278 20 0 FGADRP COc1ccc([C@H](C)[NH2+][C@H]2CCN(Cc3ccccc3)C[C@H]2CO)cc1 ZINC000484161201 502589476 /nfs/dbraw/zinc/58/94/76/502589476.db2.gz NNLXEZRQVRSNNG-XJABCFGWSA-N 2 0 354.494 3.229 20 0 FGADRP O[C@H]1CC[N@H+](Cc2cccc(NC3CC[NH+](C4CCCCC4)CC3)c2)C1 ZINC000462862651 502603499 /nfs/dbraw/zinc/60/34/99/502603499.db2.gz XACSFBZOPNYWFH-QFIPXVFZSA-N 2 0 357.542 3.462 20 0 FGADRP C[C@H](CNC(=O)c1ccc(Nc2cc[nH+]cc2)cc1)[N@H+](C)Cc1ccccc1 ZINC000469960977 502610928 /nfs/dbraw/zinc/61/09/28/502610928.db2.gz DGJYNECZIDLJSW-GOSISDBHSA-N 2 0 374.488 3.497 20 0 FGADRP C[C@H]1[C@@H](NC(=O)NC2CC[NH+](C(C)(C)C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000484433061 502642823 /nfs/dbraw/zinc/64/28/23/502642823.db2.gz AHQUNCVRDNCIEK-PXNSSMCTSA-N 2 0 372.557 3.212 20 0 FGADRP Cc1nc2ccccc2n1CCCCC[NH+]1CCC([N@@H+](C)C[C@H](C)O)CC1 ZINC000463087747 502689900 /nfs/dbraw/zinc/68/99/00/502689900.db2.gz WQPUQGDNLRZVFT-SFHVURJKSA-N 2 0 372.557 3.292 20 0 FGADRP C[NH+](C)CCCOc1ccc(C[NH2+]C2CCN(c3nccs3)CC2)cc1 ZINC000463110011 502697981 /nfs/dbraw/zinc/69/79/81/502697981.db2.gz KWNCIFQYHZMJCT-UHFFFAOYSA-N 2 0 374.554 3.232 20 0 FGADRP C[C@@H]1CN(CCC[NH2+][C@@H]2CCN(Cc3ccccc3)[C@@H](C)C2)C[C@H](C)O1 ZINC000463137480 502704806 /nfs/dbraw/zinc/70/48/06/502704806.db2.gz QZQIGPFNEDAFCY-ITTUMRLJSA-N 3 0 359.558 3.128 20 0 FGADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H](CO)Cc2ccccc2OC(F)(F)F)[C@@H](C)C1 ZINC000470258915 502719058 /nfs/dbraw/zinc/71/90/58/502719058.db2.gz UHHDCDRTKQQGIO-ZOBUZTSGSA-N 2 0 374.447 3.056 20 0 FGADRP C[C@H](C(=O)Nc1ccc2ccn(CC[NH+](C)C)c2c1)[NH+]1[C@H](C)CC[C@H]1C ZINC000463336138 502762877 /nfs/dbraw/zinc/76/28/77/502762877.db2.gz QAJYBNSRVAWARA-BRWVUGGUSA-N 2 0 356.514 3.403 20 0 FGADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H](O)COCc1ccccc1 ZINC000481166567 502770894 /nfs/dbraw/zinc/77/08/94/502770894.db2.gz FOADEBGHVLUSRG-WWPVKYPJSA-N 2 0 368.521 3.064 20 0 FGADRP CC(C)CN(C(=O)CN[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)C(C)C ZINC000481175557 502773348 /nfs/dbraw/zinc/77/33/48/502773348.db2.gz WQJVSKIHWXWLRE-FPOVZHCZSA-N 2 0 359.558 3.380 20 0 FGADRP C[C@@H](C(=O)NCc1ccc(C[NH+](C)C)c(F)c1)[N@H+](C)Cc1ccccc1 ZINC000477441828 502774350 /nfs/dbraw/zinc/77/43/50/502774350.db2.gz WSIVSBCSBFAOQU-INIZCTEOSA-N 2 0 357.473 3.024 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)c1ccc2c(c1)CC[NH2+]CC2)c1ccccc1 ZINC000474006902 502777205 /nfs/dbraw/zinc/77/72/05/502777205.db2.gz PWZZXEWDCSUEHZ-JOCHJYFZSA-N 2 0 365.521 3.188 20 0 FGADRP CC(C)[C@H](C(=O)NC[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1)[NH+](C)C ZINC000477488528 502786243 /nfs/dbraw/zinc/78/62/43/502786243.db2.gz HIJTWXBPTMBIEE-QGTPRVQTSA-N 2 0 369.912 3.174 20 0 FGADRP C[C@H]([NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1)C1CCC(F)(F)CC1 ZINC000474060632 502793482 /nfs/dbraw/zinc/79/34/82/502793482.db2.gz BKPDMSGYSIGMFB-HNNXBMFYSA-N 2 0 373.532 3.417 20 0 FGADRP CC[N@H+](Cc1ccc(C(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)cc1)C1CC1 ZINC000495684641 502858382 /nfs/dbraw/zinc/85/83/82/502858382.db2.gz PYNUMHGFNFIIAJ-NRFANRHFSA-N 2 0 355.526 3.275 20 0 FGADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)NCCCC[NH+]1C[C@H](C)C[C@H](C)C1 ZINC000500840858 502875047 /nfs/dbraw/zinc/87/50/47/502875047.db2.gz VLSDROHAORWXPK-ZCNNSNEGSA-N 2 0 366.594 3.308 20 0 FGADRP CC[N@H+](Cc1ccc(C(=O)N2CCCC23CC[NH+](C)CC3)cc1)C1CC1 ZINC000509329114 502876115 /nfs/dbraw/zinc/87/61/15/502876115.db2.gz WPNCGNKNQFMBDB-UHFFFAOYSA-N 2 0 355.526 3.371 20 0 FGADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CC[C@@H]([NH+]3CCCC3)[C@H]2C)C1 ZINC000496588770 502895259 /nfs/dbraw/zinc/89/52/59/502895259.db2.gz BINDLZDDLYTSQA-GUDVDZBRSA-N 2 0 364.578 3.155 20 0 FGADRP C[NH+](C)[C@H](CNC(=O)c1cccc(C[NH+]2CCCC2)c1)Cc1ccccc1 ZINC000513351689 502912347 /nfs/dbraw/zinc/91/23/47/502912347.db2.gz SWJONQMQCRNPEY-QFIPXVFZSA-N 2 0 365.521 3.185 20 0 FGADRP CC(C)Cc1ccc([C@@H](CNC(=O)N2CC[C@@H](C[NH+](C)C)C2)[NH+](C)C)cc1 ZINC000513384224 502921732 /nfs/dbraw/zinc/92/17/32/502921732.db2.gz NNOGJNBWZDMICE-PZJWPPBQSA-N 2 0 374.573 3.081 20 0 FGADRP C[N@H+](CC[S@@](=O)c1ccccc1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501048781 502922217 /nfs/dbraw/zinc/92/22/17/502922217.db2.gz XMUVFYKQUUSJPK-RUZDIDTESA-N 2 0 357.523 3.038 20 0 FGADRP COC(=O)c1sccc1C[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501083124 502932033 /nfs/dbraw/zinc/93/20/33/502932033.db2.gz TYUAQHUKQAUVFF-UHFFFAOYSA-N 2 0 359.495 3.278 20 0 FGADRP [NH3+][C@H](C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1)c1ccccc1 ZINC000497325754 502932138 /nfs/dbraw/zinc/93/21/38/502932138.db2.gz ILRSQLDIHWSLEE-FSSWDIPSSA-N 2 0 363.505 3.200 20 0 FGADRP CC[C@H](C)[NH2+][C@H](CNC(=O)N(C)[C@@H]1CC[N@H+](CC)[C@H](C)C1)c1ccco1 ZINC000509568561 502937095 /nfs/dbraw/zinc/93/70/95/502937095.db2.gz MITDXJXSMNUFNB-BSDSXHPESA-N 2 0 364.534 3.223 20 0 FGADRP CC[C@H](C)[NH2+][C@H](CNC(=O)N(C)[C@H]1CC[N@H+](CC)C[C@H]1C)c1ccco1 ZINC000509591699 502943874 /nfs/dbraw/zinc/94/38/74/502943874.db2.gz RABBCQQMMROROT-XDNAFOTISA-N 2 0 364.534 3.081 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)NCC1([NH+](C)C)CCCC1)c1ccsc1 ZINC000501154016 502950359 /nfs/dbraw/zinc/95/03/59/502950359.db2.gz LVKNPRPVHVGZNY-QGZVFWFLSA-N 2 0 366.575 3.305 20 0 FGADRP c1ccc(N2CC[NH+](CCCN3CCC[C@H]3C[NH+]3CCCCC3)CC2)cc1 ZINC000509673409 502964530 /nfs/dbraw/zinc/96/45/30/502964530.db2.gz OLKHCIXQOGEGMP-QHCPKHFHSA-N 2 0 370.585 3.149 20 0 FGADRP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)c1ccc(Br)c(F)c1 ZINC000489470992 502966898 /nfs/dbraw/zinc/96/68/98/502966898.db2.gz ARFBRROFUNSGMC-ZFWWWQNUSA-N 2 0 373.310 3.476 20 0 FGADRP C[NH+]1CCC(N2CCC([NH2+][C@H]3CCC[C@H](c4cccnc4)C3)CC2)CC1 ZINC000501379424 502996716 /nfs/dbraw/zinc/99/67/16/502996716.db2.gz XAZDLYKNLMVXLS-RXVVDRJESA-N 2 0 356.558 3.256 20 0 FGADRP CS[C@@H]1CCCC[NH+](CCOCC[N@H+]2CCCC[C@H](SC)C2)C1 ZINC000489619895 502999612 /nfs/dbraw/zinc/99/96/12/502999612.db2.gz INKFCXYUGKSHAZ-HDICACEKSA-N 2 0 360.633 3.438 20 0 FGADRP C/C(=C/c1ccccc1C(F)(F)F)C[NH2+][C@H](C)CN1CC[NH+](C)CC1 ZINC000501417214 503006718 /nfs/dbraw/zinc/00/67/18/503006718.db2.gz AMVRLKGUDYBZLG-RTYFKUQISA-N 2 0 355.448 3.334 20 0 FGADRP CCCN(CCC)C(=O)C[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000489683703 503010370 /nfs/dbraw/zinc/01/03/70/503010370.db2.gz LCRYHPMQJGGWSD-UHFFFAOYSA-N 2 0 359.558 3.479 20 0 FGADRP CC1CC[NH+](CCNC(=O)NCc2ccccc2C[NH+]2CCCCC2)CC1 ZINC000501531562 503030849 /nfs/dbraw/zinc/03/08/49/503030849.db2.gz LGNCYGJEHJABGY-UHFFFAOYSA-N 2 0 372.557 3.204 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000489784564 503033847 /nfs/dbraw/zinc/03/38/47/503033847.db2.gz WOAFWZVKXJHKFE-HLAWJBBLSA-N 2 0 372.557 3.165 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)NCC[NH+]1CCC(C)CC1)c1ccccc1 ZINC000501545376 503034149 /nfs/dbraw/zinc/03/41/49/503034149.db2.gz HFZMABWVCDWDQK-FQEVSTJZSA-N 2 0 360.546 3.101 20 0 FGADRP CC1CC[NH+](C[C@@H]2CCCN(C(=O)N[C@@H]3CCC[C@H]([NH+](C)C)C3)C2)CC1 ZINC000489798259 503038466 /nfs/dbraw/zinc/03/84/66/503038466.db2.gz PSTRILVLGBFLDP-ZCNNSNEGSA-N 2 0 364.578 3.013 20 0 FGADRP CCC[C@H]([NH2+]C(C)C)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000497776031 503038759 /nfs/dbraw/zinc/03/87/59/503038759.db2.gz JDJPQWLGKMCFEZ-VTHDOGFWSA-N 2 0 357.542 3.465 20 0 FGADRP C[C@H]1CCC[N@H+](CCCCNC(=O)NCCC[NH+](C)C2CCCCC2)C1 ZINC000501575499 503042441 /nfs/dbraw/zinc/04/24/41/503042441.db2.gz PLDHTFZIRMOPLN-IBGZPJMESA-N 2 0 366.594 3.452 20 0 FGADRP CC(C)[NH+](CCNC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)C(C)C ZINC000489829815 503044106 /nfs/dbraw/zinc/04/41/06/503044106.db2.gz JPYKCRDKQDXMFY-FPOVZHCZSA-N 2 0 374.573 3.315 20 0 FGADRP CC[NH+](CC)Cc1ccccc1CNC(=O)N[C@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000514023288 503070622 /nfs/dbraw/zinc/07/06/22/503070622.db2.gz VZGWIOXEYAVFQJ-RTBURBONSA-N 2 0 374.573 3.448 20 0 FGADRP COc1cccc([C@H](CNC(=O)[C@@H](C)[NH+]2CCCCCC2)[NH+]2CCCC2)c1 ZINC000510328567 503092727 /nfs/dbraw/zinc/09/27/27/503092727.db2.gz CKHCCGMSQQQKTQ-NQIIRXRSSA-N 2 0 373.541 3.213 20 0 FGADRP CC1CC[NH+](CCCCNC(=O)NCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000514138104 503096847 /nfs/dbraw/zinc/09/68/47/503096847.db2.gz LLGPSOKMUVAEEE-LJQANCHMSA-N 2 0 366.594 3.308 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N[C@@H](C)CC[NH+](C)C)c1ccccc1Cl ZINC000514148197 503099436 /nfs/dbraw/zinc/09/94/36/503099436.db2.gz CYEQZOHZGMAWPK-MAUKXSAKSA-N 2 0 368.953 3.362 20 0 FGADRP C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1oc2ccccc2c1C[NH+](C)C ZINC000510405726 503107900 /nfs/dbraw/zinc/10/79/00/503107900.db2.gz GIAPDOSCNHVGCF-HOTGVXAUSA-N 2 0 357.498 3.345 20 0 FGADRP Cc1ccc([C@@H](CNC(=O)NCC[N@H+]2CCC[C@@H](C)C2)[NH+]2CCCC2)cc1 ZINC000514221442 503116990 /nfs/dbraw/zinc/11/69/90/503116990.db2.gz HTZHGIOVNRYSNF-TZIWHRDSSA-N 2 0 372.557 3.163 20 0 FGADRP C[N@H+](Cc1ccccc1CNC(=O)[C@H]([NH3+])CC(F)F)C1CCCCC1 ZINC000498193949 503127340 /nfs/dbraw/zinc/12/73/40/503127340.db2.gz BZMFXMSYMWOULJ-QGZVFWFLSA-N 2 0 353.457 3.050 20 0 FGADRP CC[N@@H+]1C[C@@H](C)N(C(=O)NCc2ccccc2C[NH+](C)C(C)C)C[C@H]1C ZINC000498231651 503137744 /nfs/dbraw/zinc/13/77/44/503137744.db2.gz NWUXKKUAFJSMJJ-QZTJIDSGSA-N 2 0 360.546 3.151 20 0 FGADRP CC[N@@H+]1C[C@H](C)N(C(=O)NCc2ccccc2C[NH+]2CCCCC2)C[C@H]1C ZINC000498257773 503144036 /nfs/dbraw/zinc/14/40/36/503144036.db2.gz FAYZUIJOGTUHIN-MOPGFXCFSA-N 2 0 372.557 3.297 20 0 FGADRP CC[C@H](C)[NH2+][C@@H](CNC(=O)NCCC1CC[NH+](CC)CC1)c1ccco1 ZINC000498393136 503177981 /nfs/dbraw/zinc/17/79/81/503177981.db2.gz XYHKJBZZEDKVQT-WMZOPIPTSA-N 2 0 364.534 3.130 20 0 FGADRP Cc1cc(C)n(-c2ccc(C[NH+]3CCC([C@H]4C[C@H]([NH3+])CCO4)CC3)cc2)n1 ZINC000514733758 503180081 /nfs/dbraw/zinc/18/00/81/503180081.db2.gz ODJSBBNXNXVSFH-IFMALSPDSA-N 2 0 368.525 3.207 20 0 FGADRP C[C@H](C(=O)N[C@@H](C)C1=CC[N@H+](C)CC1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000510741727 503183892 /nfs/dbraw/zinc/18/38/92/503183892.db2.gz PCALGJSEZURHBV-RBUKOAKNSA-N 2 0 369.553 3.096 20 0 FGADRP C[C@@H]1CCC[N@H+](CCNC(=O)N2CCC[C@H](C[NH+]3CCCC[C@@H]3C)C2)C1 ZINC000506927802 503196083 /nfs/dbraw/zinc/19/60/83/503196083.db2.gz BKYQRVBGAJVVBZ-HSALFYBXSA-N 2 0 364.578 3.014 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)NCC2([NH+](C)C)CCCC2)C1 ZINC000506934681 503197323 /nfs/dbraw/zinc/19/73/23/503197323.db2.gz PKQCQWPDQOEYGI-MOPGFXCFSA-N 2 0 364.578 3.157 20 0 FGADRP C[NH+]1CCN(c2cc(C[NH2+]Cc3ccc4c(c3)CCCC4)ccn2)CC1 ZINC000490580094 503198332 /nfs/dbraw/zinc/19/83/32/503198332.db2.gz OURXDJPUALDBHX-UHFFFAOYSA-N 2 0 350.510 3.002 20 0 FGADRP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1cnn(C2CCCC2)c1 ZINC000502473637 503205566 /nfs/dbraw/zinc/20/55/66/503205566.db2.gz DBSZIHIBZMFTQV-JTSKRJEESA-N 2 0 368.525 3.416 20 0 FGADRP C[NH2+][C@@H](CC(C)(C)C)C(=O)N1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000514860602 503213085 /nfs/dbraw/zinc/21/30/85/503213085.db2.gz ZXOQSZQYNYCVNB-FQEVSTJZSA-N 2 0 359.558 3.381 20 0 FGADRP CCc1ccc(CN2CCN(C(=O)CC[C@H]3CCCC[N@@H+]3C)CC2)s1 ZINC000498650323 503232332 /nfs/dbraw/zinc/23/23/32/503232332.db2.gz YNUWHCNUSDGSAJ-QGZVFWFLSA-N 2 0 363.571 3.219 20 0 FGADRP C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000490832768 503233427 /nfs/dbraw/zinc/23/34/27/503233427.db2.gz BKDPZWGWRYZMPN-DWLFOUALSA-N 2 0 369.553 3.420 20 0 FGADRP Cc1cc(C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)c(C)n1C(C)C ZINC000502602047 503237122 /nfs/dbraw/zinc/23/71/22/503237122.db2.gz SHQVTKNTAQEPCP-UHFFFAOYSA-N 2 0 350.551 3.031 20 0 FGADRP CC(C)CN(CC[NH+](C)C)C(=O)N[C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000498696860 503241211 /nfs/dbraw/zinc/24/12/11/503241211.db2.gz SRTSMMFWQTVMIH-CTNGQTDRSA-N 2 0 374.573 3.126 20 0 FGADRP Cc1ccc(-c2nc(CN3CC[C@H]([NH+]4CCN(C)CC4)[C@H](C)C3)co2)cc1 ZINC000490996790 503257669 /nfs/dbraw/zinc/25/76/69/503257669.db2.gz RIEOUDWFDLTAHL-NQIIRXRSSA-N 2 0 368.525 3.108 20 0 FGADRP COCC[C@@H]1CCC[C@@H]1[NH2+][C@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000502721222 503258399 /nfs/dbraw/zinc/25/83/99/503258399.db2.gz FKTAHFSBSRZVHD-UWVAXJGDSA-N 2 0 363.521 3.433 20 0 FGADRP COc1ccc([C@@H]2CCCCCN2C(=O)CN[C@H]2CC[NH2+]CC2(C)C)cc1 ZINC000515048214 503259649 /nfs/dbraw/zinc/25/96/49/503259649.db2.gz BZDIQTJCFKFRCA-PMACEKPBSA-N 2 0 373.541 3.117 20 0 FGADRP CC[C@@H]([NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1)c1ccc(F)cn1 ZINC000491059712 503266930 /nfs/dbraw/zinc/26/69/30/503266930.db2.gz LFBHVSZQJHDQOC-HXUWFJFHSA-N 2 0 357.473 3.418 20 0 FGADRP Fc1ccc(C(C[NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)c2ccc(F)cc2)cc1 ZINC000491114270 503275158 /nfs/dbraw/zinc/27/51/58/503275158.db2.gz VNGQDXJOZDAIRS-OAQYLSRUSA-N 2 0 371.475 3.076 20 0 FGADRP C[C@H]1CC[N@H+](C)CCN1C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000502837460 503285461 /nfs/dbraw/zinc/28/54/61/503285461.db2.gz ABJKMXFRNYHDRZ-IBGZPJMESA-N 2 0 372.557 3.298 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000502894019 503301207 /nfs/dbraw/zinc/30/12/07/503301207.db2.gz JOPNZJAEQDGUAO-UYAOXDASSA-N 2 0 360.546 3.243 20 0 FGADRP Cc1cccc(N2CC[NH+](CCCC[NH2+][C@@H](C)[C@@H]3CCCOC3)CC2)c1 ZINC000507460293 503302727 /nfs/dbraw/zinc/30/27/27/503302727.db2.gz HVPKLELOOKWTQU-LEWJYISDSA-N 2 0 359.558 3.302 20 0 FGADRP CC[C@H](C)[NH2+][C@H](CNC(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1)c1ccco1 ZINC000502899930 503303003 /nfs/dbraw/zinc/30/30/03/503303003.db2.gz QESVJINPIRAVCA-RYQLBKOJSA-N 2 0 362.518 3.025 20 0 FGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+][C@@H](C)[C@@H]2CCCOC2)CC1 ZINC000507498172 503309010 /nfs/dbraw/zinc/30/90/10/503309010.db2.gz USSFBRYANMXMEF-OKZBNKHCSA-N 2 0 363.521 3.433 20 0 FGADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc2c(c1)oc(=O)n2C ZINC000511467183 503326807 /nfs/dbraw/zinc/32/68/07/503326807.db2.gz YBLKEOXTJLHTQY-LPHOPBHVSA-N 2 0 365.477 3.132 20 0 FGADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@@H]2CC[NH+](Cc3ccccc3)[C@H]2C)C1 ZINC000515395539 503330107 /nfs/dbraw/zinc/33/01/07/503330107.db2.gz OGBDEFFQOWVQQU-SESVDKBCSA-N 2 0 372.557 3.023 20 0 FGADRP CC[N@H+](CC(=O)N(CC[NH+](C)C)Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000491835106 503332620 /nfs/dbraw/zinc/33/26/20/503332620.db2.gz MRZVVXMKIUPIBW-UHFFFAOYSA-N 2 0 371.447 3.080 20 0 FGADRP C[C@H](C(=O)Nc1ccc(-c2c[nH]cn2)cc1)[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000503078848 503341934 /nfs/dbraw/zinc/34/19/34/503341934.db2.gz AEDWVFXGSLIBEY-MRXNPFEDSA-N 2 0 369.513 3.067 20 0 FGADRP C[C@H]1[C@H](NC(=O)NCC(C)(C)C[NH+]2CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000503086523 503343567 /nfs/dbraw/zinc/34/35/67/503343567.db2.gz UUYJNTBCNBIVGO-AZUAARDMSA-N 2 0 372.557 3.071 20 0 FGADRP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2cccc(I)c2)C1 ZINC000515497430 503351996 /nfs/dbraw/zinc/35/19/96/503351996.db2.gz YKRDKJCFJPVPIF-CQSZACIVSA-N 2 0 358.267 3.113 20 0 FGADRP C[NH+](C)CCOc1cccc(NC(=O)NC2CC[NH+](C(C)(C)C)CC2)c1 ZINC000511644183 503361083 /nfs/dbraw/zinc/36/10/83/503361083.db2.gz NQMIWKPSBLZNDD-UHFFFAOYSA-N 2 0 362.518 3.011 20 0 FGADRP C[C@H](CNC(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1)C[NH+]1CCCCC1 ZINC000515820014 503406515 /nfs/dbraw/zinc/40/65/15/503406515.db2.gz BJZNIDZHCKRORB-CTNGQTDRSA-N 2 0 372.557 3.072 20 0 FGADRP CCc1ccc(CCC(=O)N(CC[NH+](C)C)C[C@H]2CCC[N@H+]2CC)cc1 ZINC000499508010 503421124 /nfs/dbraw/zinc/42/11/24/503421124.db2.gz LOMVCPHXVHBZPM-OAQYLSRUSA-N 2 0 359.558 3.056 20 0 FGADRP Cc1cnn(C)c1C[NH2+]CCc1ccc(OCC[NH+]2C[C@H](C)[C@@H](C)C2)cc1 ZINC000511978163 503426795 /nfs/dbraw/zinc/42/67/95/503426795.db2.gz LWKMYPUUAILDGQ-OALUTQOASA-N 2 0 370.541 3.027 20 0 FGADRP CC(C)[NH+]1CCN(CCC[NH2+][C@@H]2CCC[C@@H]2OCc2ccccc2)CC1 ZINC000503525399 503429319 /nfs/dbraw/zinc/42/93/19/503429319.db2.gz DSDHAUFAPFVAML-YADHBBJMSA-N 2 0 359.558 3.130 20 0 FGADRP CC(C)(C)c1nn(Cc2ccccc2)cc1CN1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000516063072 503438799 /nfs/dbraw/zinc/43/87/99/503438799.db2.gz KVGXVICSZZWUFV-OALUTQOASA-N 2 0 352.526 3.270 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1cnc(-c2ccco2)s1 ZINC000516118035 503449801 /nfs/dbraw/zinc/44/98/01/503449801.db2.gz RERKWPHWWPGAKG-INIZCTEOSA-N 2 0 362.543 3.251 20 0 FGADRP CN(C(=O)CC[C@H]1CCCC[NH+]1C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000499660086 503451829 /nfs/dbraw/zinc/45/18/29/503451829.db2.gz PBIWQPHVOKDGDJ-RTWAWAEBSA-N 2 0 357.542 3.374 20 0 FGADRP CO[C@@H](c1ccccc1)[C@@H](C)[NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000493883383 503452556 /nfs/dbraw/zinc/45/25/56/503452556.db2.gz OINILWMQNCDHSH-TZIWHRDSSA-N 2 0 359.558 3.303 20 0 FGADRP O=C1COc2ccc(C[NH2+]Cc3ccccc3C[NH+]3CCCCC3)cc2N1 ZINC000516200465 503468555 /nfs/dbraw/zinc/46/85/55/503468555.db2.gz KAKHRBCOKSBRQK-UHFFFAOYSA-N 2 0 365.477 3.293 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(OC)c(OC)c2C)[C@@H](C)C1 ZINC000516209686 503471934 /nfs/dbraw/zinc/47/19/34/503471934.db2.gz IUCAFRICKMXYOP-LPHOPBHVSA-N 2 0 364.530 3.239 20 0 FGADRP CC[N@@H+]1CCCN(C(=O)c2cccc(C[NH+](C)Cc3ccccc3)c2)CC1 ZINC000499827105 503490458 /nfs/dbraw/zinc/49/04/58/503490458.db2.gz LIHHVSQZQGXTSD-UHFFFAOYSA-N 2 0 365.521 3.486 20 0 FGADRP COC(=O)c1ccc(CN2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)o1 ZINC000512236145 503493542 /nfs/dbraw/zinc/49/35/42/503493542.db2.gz FZXDRWLOBIIKSS-OAQYLSRUSA-N 2 0 354.450 3.164 20 0 FGADRP C[C@@H]1C[C@H](CC[NH2+][C@@H](C(N)=O)c2ccccc2)C[N@@H+]1Cc1ccccc1 ZINC000512331699 503522223 /nfs/dbraw/zinc/52/22/23/503522223.db2.gz PFXUPIDZVHCJSU-SLYNCCJLSA-N 2 0 351.494 3.103 20 0 FGADRP C[N@H+](Cc1ccccc1)C1CN(C(=O)c2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000512401387 503537886 /nfs/dbraw/zinc/53/78/86/503537886.db2.gz YOYDEPADXCELMS-UHFFFAOYSA-N 2 0 363.505 3.239 20 0 FGADRP C[NH+](C)CCOc1cccc(NC(=O)NCc2cccc(C[NH+](C)C)c2)c1 ZINC000504229808 503541329 /nfs/dbraw/zinc/54/13/29/503541329.db2.gz ZEADMZCGONRQHC-UHFFFAOYSA-N 2 0 370.497 3.010 20 0 FGADRP c1ccc(C(C[N@@H+]2CC[C@H](CN3CCOCC3)C2)c2ccccc2)cc1 ZINC000508758410 503559470 /nfs/dbraw/zinc/55/94/70/503559470.db2.gz QUESPWYRYXCEQR-HXUWFJFHSA-N 2 0 350.506 3.473 20 0 FGADRP CC[NH+](CC)Cc1cccc(CNC(=O)N[C@@H](C)C[NH+]2CCCCC2)c1 ZINC000500131614 503561525 /nfs/dbraw/zinc/56/15/25/503561525.db2.gz IRBNMDAKJWQVKN-SFHVURJKSA-N 2 0 360.546 3.202 20 0 FGADRP C(=C/C[N@H+]1CCC[C@H](OCC2CC2)C1)\C[NH+]1CCC[C@H](OCC2CC2)C1 ZINC000494657466 503586068 /nfs/dbraw/zinc/58/60/68/503586068.db2.gz UATGBYLCOYIEOS-HNSCLNPNSA-N 2 0 362.558 3.325 20 0 FGADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCOc2ccccc2Br)[C@H](C)C1 ZINC000508890203 503590523 /nfs/dbraw/zinc/59/05/23/503590523.db2.gz KCFWNYCJODIBAD-GDBMZVCRSA-N 2 0 355.320 3.490 20 0 FGADRP C[C@@H](NC(=O)N1CCC(CCC[NH+](C)C)CC1)[C@@H](c1ccccc1)[NH+](C)C ZINC000508901422 503594379 /nfs/dbraw/zinc/59/43/79/503594379.db2.gz YQNARIJNNGBPDG-NQIIRXRSSA-N 2 0 374.573 3.441 20 0 FGADRP Cc1ccccc1[C@@H]([C@H](C)NC(=O)NCCC1CC[NH+](C)CC1)[NH+](C)C ZINC000494699078 503595118 /nfs/dbraw/zinc/59/51/18/503595118.db2.gz YVYQEIFSKNCKGI-FXAWDEMLSA-N 2 0 360.546 3.017 20 0 FGADRP Cc1ccccc1[C@H]([C@H](C)NC(=O)N1C[C@H]([NH+]2CCCC2)C[C@@H]1C)[NH+](C)C ZINC000508902533 503595319 /nfs/dbraw/zinc/59/53/19/503595319.db2.gz WQTRIEKFCQTLBL-HUUJSLGLSA-N 2 0 372.557 3.254 20 0 FGADRP O[C@H](C[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)Cc1ccccc1 ZINC000512613473 503595337 /nfs/dbraw/zinc/59/53/37/503595337.db2.gz RUOQMTKDVMHWNU-NAVOZUGXSA-N 2 0 364.533 3.480 20 0 FGADRP COc1cc(C[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)ccn1 ZINC000512614140 503595525 /nfs/dbraw/zinc/59/55/25/503595525.db2.gz UYHJVGNOFFZHKM-NJDAHSKKSA-N 2 0 351.494 3.481 20 0 FGADRP Cc1c2ccccc2oc1[C@@H](C)[NH2+]CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000516853646 503600272 /nfs/dbraw/zinc/60/02/72/503600272.db2.gz PLGOWSLUZNFGMX-MRXNPFEDSA-N 2 0 357.498 3.381 20 0 FGADRP CC(C)CN(CC[NH+](C)C)C(=O)NCC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC000504770082 503613859 /nfs/dbraw/zinc/61/38/59/503613859.db2.gz KPVHSZUYJFQSQU-UHFFFAOYSA-N 2 0 374.573 3.053 20 0 FGADRP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000532913210 503654299 /nfs/dbraw/zinc/65/42/99/503654299.db2.gz MIHQBUHDMRMPAF-CEXWTWQISA-N 2 0 357.542 3.134 20 0 FGADRP CCOc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(C[N@H+](C)C(C)C)CC2)cc1 ZINC000532950924 503671750 /nfs/dbraw/zinc/67/17/50/503671750.db2.gz XSQJAKKZAHSHCW-QGZVFWFLSA-N 2 0 361.530 3.465 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C/C=C/c1ccccc1F ZINC000495117934 503674520 /nfs/dbraw/zinc/67/45/20/503674520.db2.gz GTADMUMFTPUELV-QPGLYAHGSA-N 2 0 361.505 3.104 20 0 FGADRP COc1c(C)cc(C[NH+]2CCN(C3CC[NH+](C(C)C)CC3)CC2)cc1C ZINC000536708732 503692530 /nfs/dbraw/zinc/69/25/30/503692530.db2.gz PTEXKYLTUJMKJZ-UHFFFAOYSA-N 2 0 359.558 3.302 20 0 FGADRP CC[N@H+](CCC1CC[NH+](CC(=O)N2CCc3ccccc32)CC1)CC1CC1 ZINC000536736484 503704275 /nfs/dbraw/zinc/70/42/75/503704275.db2.gz OCCDFRYDNXHDKV-UHFFFAOYSA-N 2 0 369.553 3.410 20 0 FGADRP C[C@H]([NH2+]C[C@H](O)COc1ccccc1C(F)(F)F)C(C)(C)C[NH+](C)C ZINC000517359502 503724403 /nfs/dbraw/zinc/72/44/03/503724403.db2.gz GPOQRTKNZRRSLD-KBPBESRZSA-N 2 0 362.436 3.011 20 0 FGADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+](CCc1ccccc1)[C@H]1CCOC1 ZINC000543395048 503751490 /nfs/dbraw/zinc/75/14/90/503751490.db2.gz VDUCPUJRGITXEK-QFIPXVFZSA-N 2 0 362.477 3.409 20 0 FGADRP Cc1ccc([C@@H](C[NH2+]Cc2cn(-c3cc[nH+]cc3)nc2C)N2CCCC2)o1 ZINC000543413312 503760895 /nfs/dbraw/zinc/76/08/95/503760895.db2.gz FSLQJNHBNLYLBN-HXUWFJFHSA-N 2 0 365.481 3.404 20 0 FGADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)NCC2([NH+](C)C)CCCCC2)C1 ZINC000517541700 503767411 /nfs/dbraw/zinc/76/74/11/503767411.db2.gz QOOUNNPAJXJRMB-AZUAARDMSA-N 2 0 372.557 3.386 20 0 FGADRP CN1CC[NH+](CC2(C)CC[NH+](CCSc3ccc(F)cc3)CC2)CC1 ZINC000543523386 503802072 /nfs/dbraw/zinc/80/20/72/503802072.db2.gz TVIPCFYWIDTBLC-UHFFFAOYSA-N 2 0 365.562 3.267 20 0 FGADRP CC(C[NH+]1CCC2(CCOCC2)[C@@H]1C)C[N@@H+]1CCC2(CCOCC2)[C@@H]1C ZINC000543573910 503816057 /nfs/dbraw/zinc/81/60/57/503816057.db2.gz JQTROSQVHQKOTL-PMACEKPBSA-N 2 0 364.574 3.405 20 0 FGADRP CCC[NH+]1CCC(C[NH2+]C[C@@H](O)COc2cccc(C(F)(F)F)c2)CC1 ZINC000517733109 503820959 /nfs/dbraw/zinc/82/09/59/503820959.db2.gz XXCPSURXFCBGRP-QGZVFWFLSA-N 2 0 374.447 3.157 20 0 FGADRP CC1CC[NH+]([C@H](CNC(=O)CCCC[NH+](C)C)c2cccs2)CC1 ZINC000517765743 503831663 /nfs/dbraw/zinc/83/16/63/503831663.db2.gz GLHVTICHEGLQCD-QGZVFWFLSA-N 2 0 351.560 3.369 20 0 FGADRP Cc1nn(-c2cc[nH+]cc2)cc1CN(CC[NH+](C)C)Cc1cccc(C)c1 ZINC000518009213 503888491 /nfs/dbraw/zinc/88/84/91/503888491.db2.gz BNFFZJSFUPJLFK-UHFFFAOYSA-N 2 0 363.509 3.448 20 0 FGADRP Cc1cc(C)c(NC(=O)[C@H](C)[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)c(C)c1 ZINC000530243051 503891320 /nfs/dbraw/zinc/89/13/20/503891320.db2.gz VCOVCZVWZJYGCN-AZUAARDMSA-N 2 0 373.541 3.029 20 0 FGADRP Cc1ccc(C[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)cc1Br ZINC000530248648 503894067 /nfs/dbraw/zinc/89/40/67/503894067.db2.gz NTCMGGBBNDYONB-KRWDZBQOSA-N 2 0 367.331 3.348 20 0 FGADRP Cc1cc(C[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)cc(C)c1OC(F)F ZINC000530248295 503894166 /nfs/dbraw/zinc/89/41/66/503894166.db2.gz IHAPCEQZGOOLEF-GOSISDBHSA-N 2 0 368.468 3.495 20 0 FGADRP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)N2CC[C@H]([NH+]3CCCCC3)C2)C1 ZINC000518067825 503902080 /nfs/dbraw/zinc/90/20/80/503902080.db2.gz DKWYBOLPCCIGFN-QRVBRYPASA-N 2 0 364.578 3.013 20 0 FGADRP CCC[NH+]1CCC(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C2CC2)CC1 ZINC000527702656 503903447 /nfs/dbraw/zinc/90/34/47/503903447.db2.gz GVDZUVIRTCGIPY-FCHUYYIVSA-N 2 0 369.553 3.135 20 0 FGADRP O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000518094710 503907524 /nfs/dbraw/zinc/90/75/24/503907524.db2.gz UQRZKPKPKHYAPS-LEWJYISDSA-N 2 0 370.541 3.093 20 0 FGADRP CCO[C@@H]1C[C@H]([NH2+][C@@H](C)c2ccc(OCC[NH+](C)C)cc2)[C@]12CCCO2 ZINC000546871583 503911152 /nfs/dbraw/zinc/91/11/52/503911152.db2.gz AQDUGCVQOPKHJB-VRXWPRPYSA-N 2 0 362.514 3.004 20 0 FGADRP CC(C)[N@@H+](C)C[C@H](C)NC(=O)NC[C@@H]1CCC[NH+](C)[C@@H]1c1cccs1 ZINC000518270999 503941320 /nfs/dbraw/zinc/94/13/20/503941320.db2.gz ZCQPLXDXDVAXFE-BQFCYCMXSA-N 2 0 366.575 3.159 20 0 FGADRP C[C@@H](CNC(=O)NC[C@@H]1CCC[N@@H+]1CC1CCCCC1)C[NH+]1CCCC1 ZINC000518296865 503946403 /nfs/dbraw/zinc/94/64/03/503946403.db2.gz CNKJQPRGPINILT-ICSRJNTNSA-N 2 0 364.578 3.062 20 0 FGADRP C[C@H](CNC(=O)NC[C@@H]1CCC[N@@H+]1CC1CCCCC1)C[NH+]1CCCC1 ZINC000518296866 503946592 /nfs/dbraw/zinc/94/65/92/503946592.db2.gz CNKJQPRGPINILT-QUCCMNQESA-N 2 0 364.578 3.062 20 0 FGADRP CN(c1ccccc1C[NH2+]C[C@@H]1CCN1C1CCCC1)C1CC[NH+](C)CC1 ZINC000527805906 503953529 /nfs/dbraw/zinc/95/35/29/503953529.db2.gz IWJSLMGMPIMUFI-QFIPXVFZSA-N 2 0 370.585 3.324 20 0 FGADRP CC(C)[C@@H]1CN(C(=O)N[C@@H]2CC[NH+](C)[C@@H](C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000527812246 503955604 /nfs/dbraw/zinc/95/56/04/503955604.db2.gz VVDOVYWGOOFTCH-TYPHKJRUSA-N 2 0 372.557 3.021 20 0 FGADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]C[C@H](O)COCc2ccccc2Cl)C1 ZINC000518362219 503963210 /nfs/dbraw/zinc/96/32/10/503963210.db2.gz KNSHSRYKPAAMRW-MJGOQNOKSA-N 2 0 368.949 3.175 20 0 FGADRP CCCCO[C@@H]1C[C@@H]([NH2+]Cc2ccccc2C[N@@H+]2CC[C@H](O)C2)C1(C)C ZINC000540988597 503966947 /nfs/dbraw/zinc/96/69/47/503966947.db2.gz NVVPSNVJZIYBGS-PWRODBHTSA-N 2 0 360.542 3.327 20 0 FGADRP C[C@@H]1Cc2ccc(F)cc2[C@@H]1[NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000540991597 503967747 /nfs/dbraw/zinc/96/77/47/503967747.db2.gz HMXMOEKJIDKPHI-UPKQVVFYSA-N 2 0 354.469 3.415 20 0 FGADRP CC[N@@H+]1CCC[C@@H](C[NH2+]C2CCN(C(=O)c3ccccc3Cl)CC2)C1 ZINC000544003527 503968368 /nfs/dbraw/zinc/96/83/68/503968368.db2.gz NSUAHNCVAKFCEP-INIZCTEOSA-N 2 0 363.933 3.266 20 0 FGADRP COc1ccc2nc(C[NH+]3CCC([C@H]4C[C@@H]([NH3+])CCO4)CC3)sc2c1 ZINC000518492091 503999820 /nfs/dbraw/zinc/99/98/20/503999820.db2.gz FKQMRBBRQOMPMF-WMLDXEAASA-N 2 0 361.511 3.023 20 0 FGADRP C[C@@H](CNC(=O)c1cccc(C[N@H+](C)Cc2ccccc2)c1)C[NH+](C)C ZINC000518584600 504021732 /nfs/dbraw/zinc/02/17/32/504021732.db2.gz HWSDHWLCWFACAH-SFHVURJKSA-N 2 0 353.510 3.246 20 0 FGADRP CCC[NH+]1CCC(NC(=O)NC[C@H](c2ccc(Cl)cc2)[NH+](C)C)CC1 ZINC000530600938 504022781 /nfs/dbraw/zinc/02/27/81/504022781.db2.gz VRVVFMPDJDILMX-GOSISDBHSA-N 2 0 366.937 3.116 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CC[NH+](Cc3ccccc3)[C@H]2C)[C@H](C)C1 ZINC000518597839 504023679 /nfs/dbraw/zinc/02/36/79/504023679.db2.gz RXKAGRGFTIDIAN-JYRKZWEQSA-N 2 0 372.557 3.021 20 0 FGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cn(C)nc2-c2ccccc2)[C@H](C)C1 ZINC000541176457 504032189 /nfs/dbraw/zinc/03/21/89/504032189.db2.gz CAGGGPQRTNCIFJ-WIYYLYMNSA-N 2 0 370.541 3.314 20 0 FGADRP C[NH+]1CCN(c2ccc(C(F)(F)F)cc2C[NH2+][C@@H]2CCCOCC2)CC1 ZINC000537767748 504034023 /nfs/dbraw/zinc/03/40/23/504034023.db2.gz PHIVRIOMHDPLRQ-QGZVFWFLSA-N 2 0 371.447 3.116 20 0 FGADRP C[C@H]([NH2+]C[C@H]1CCN1C1CCCC1)[C@@H](c1ccccc1)N1CCOCC1 ZINC000528014438 504040170 /nfs/dbraw/zinc/04/01/70/504040170.db2.gz VVSYDEGBAOKUEK-BWAGFHJFSA-N 2 0 357.542 3.055 20 0 FGADRP CC[N@H+](CCC1CC[NH+](CC(=O)N2C[C@@H](C)C[C@H](C)C2)CC1)CC1CC1 ZINC000537849810 504064478 /nfs/dbraw/zinc/06/44/78/504064478.db2.gz SUVYLCOBDDJUCN-OALUTQOASA-N 2 0 363.590 3.325 20 0 FGADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)[C@H](c2ccccc2)N2CCOCC2)C1 ZINC000537946346 504091470 /nfs/dbraw/zinc/09/14/70/504091470.db2.gz AREGZVCIQAKBGP-QZNHQXDQSA-N 2 0 373.585 3.406 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccccc2-c2cnn(C)c2)[C@H](C)C1 ZINC000537952498 504094771 /nfs/dbraw/zinc/09/47/71/504094771.db2.gz IDIWRWDVNMLYDT-GCJKJVERSA-N 2 0 370.541 3.314 20 0 FGADRP CC[C@H](C(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1)[NH+](CC)CC ZINC000530820750 504096361 /nfs/dbraw/zinc/09/63/61/504096361.db2.gz RJOUEXAFPUVXSA-LZLYRXPVSA-N 2 0 351.560 3.368 20 0 FGADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](CO)Cc2ccc(C(F)(F)F)cc2)[C@H](C)C1 ZINC000537963108 504097518 /nfs/dbraw/zinc/09/75/18/504097518.db2.gz ZATUDMDDWNQHHQ-KYJSFNMBSA-N 2 0 358.448 3.176 20 0 FGADRP C[C@@H]1C[N@@H+](CCCC[NH2+][C@@H]2CCN(Cc3ccccc3)C[C@H]2C)C[C@H](C)O1 ZINC000537971271 504099596 /nfs/dbraw/zinc/09/95/96/504099596.db2.gz GNZDJRUNOKZWHV-CUDBPUKSSA-N 2 0 373.585 3.376 20 0 FGADRP C[NH+](C)Cc1cccc(C[NH2+]C[C@H](O)CO[C@@H]2CCCc3ccccc32)c1 ZINC000518963510 504104020 /nfs/dbraw/zinc/10/40/20/504104020.db2.gz AQBOOJGMZNMJCW-JTHBVZDNSA-N 2 0 368.521 3.293 20 0 FGADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2ccc(SC)c(OC)c2)C1 ZINC000530867079 504113174 /nfs/dbraw/zinc/11/31/74/504113174.db2.gz SRPBNJPEZCKBKY-KRWDZBQOSA-N 2 0 352.544 3.350 20 0 FGADRP C[C@H]1C[C@H]([NH2+]CCCN2CCN(c3cc[nH+]cc3)CC2)c2ccccc21 ZINC000519026178 504121619 /nfs/dbraw/zinc/12/16/19/504121619.db2.gz FZKCUALMEMTLQZ-AVRDEDQJSA-N 2 0 350.510 3.432 20 0 FGADRP C[C@@H](C[NH+]1CC[C@H](C(C)(C)C)[C@H](O)C1)C[N@@H+]1CC[C@@H](C(C)(C)C)[C@@H](O)C1 ZINC000544439488 504135052 /nfs/dbraw/zinc/13/50/52/504135052.db2.gz ZJQADBUISRYAGV-NLNRRPOYSA-N 2 0 368.606 3.080 20 0 FGADRP c1ccc(COCCC[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)cc1 ZINC000544448813 504139859 /nfs/dbraw/zinc/13/98/59/504139859.db2.gz AZRYIPGWDQCXHV-UHFFFAOYSA-N 2 0 360.542 3.418 20 0 FGADRP Cc1nc2ccccc2n1C[C@@H]1CCC[N@H+]1CCC(=O)N1CCC[C@@H]1C ZINC000534471976 504150456 /nfs/dbraw/zinc/15/04/56/504150456.db2.gz GIWPLEBISWDHBX-WMZOPIPTSA-N 2 0 354.498 3.210 20 0 FGADRP C[C@H](C1CC1)N(Cc1ccccc1)C(=O)C[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000519156761 504153216 /nfs/dbraw/zinc/15/32/16/504153216.db2.gz LHHRGNKXGKYEDW-BVYCBKJFSA-N 2 0 369.553 3.135 20 0 FGADRP CC(C)[C@H](CNC(=O)N(C)[C@H](C)C1CC[NH+](C)CC1)[NH+]1CCC(C)CC1 ZINC000544622168 504195159 /nfs/dbraw/zinc/19/51/59/504195159.db2.gz RVZAEAHCJFHYIJ-QUCCMNQESA-N 2 0 366.594 3.115 20 0 FGADRP CCc1ccc([C@@H](CNC(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)[NH+](C)C)cc1 ZINC000519383441 504208253 /nfs/dbraw/zinc/20/82/53/504208253.db2.gz WOTBAVRTYARFPU-NHCUHLMSSA-N 2 0 372.557 3.122 20 0 FGADRP C[NH+](C)[C@@H](CNC(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1)c1ccc(Cl)cc1 ZINC000531156655 504208756 /nfs/dbraw/zinc/20/87/56/504208756.db2.gz CSVRBYXLZIIXBB-KURKYZTESA-N 2 0 366.937 3.115 20 0 FGADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)NCC2=CC[NH+](C)CC2)cc1 ZINC000538337080 504213342 /nfs/dbraw/zinc/21/33/42/504213342.db2.gz HOSUMZIDDDCQGE-SFHVURJKSA-N 2 0 370.541 3.122 20 0 FGADRP C[N@H+]1CC=C(C[NH2+]Cc2cc(Cl)ccc2OC[C@@H]2CCCO2)CC1 ZINC000538445822 504248432 /nfs/dbraw/zinc/24/84/32/504248432.db2.gz MNAWNVDHYODOLQ-SFHVURJKSA-N 2 0 350.890 3.249 20 0 FGADRP C[C@@H]([NH2+][C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C)c1ccc(Cl)cc1 ZINC000538587631 504294451 /nfs/dbraw/zinc/29/44/51/504294451.db2.gz TZLOSDLXVLHCBQ-UZLBHIALSA-N 2 0 373.928 3.280 20 0 FGADRP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000519797206 504341994 /nfs/dbraw/zinc/34/19/94/504341994.db2.gz RJYPAACCUJLAOM-GGPKGHCWSA-N 2 0 360.546 3.067 20 0 FGADRP C[NH+]1CCC([C@@H]2CCN(C(=O)[C@@H]3CCCC[N@@H+]3Cc3ccccc3)C2)CC1 ZINC000535146450 504355299 /nfs/dbraw/zinc/35/52/99/504355299.db2.gz DFHJIVMKFZLRIA-YADHBBJMSA-N 2 0 369.553 3.231 20 0 FGADRP C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+][C@H]1CCn2ccnc2C1 ZINC000548307232 504393632 /nfs/dbraw/zinc/39/36/32/504393632.db2.gz OTXLEQQUTMVFJF-OLZOCXBDSA-N 2 0 366.387 3.224 20 0 FGADRP C[C@H]([NH2+]CCCC[NH+]1CCN(C)CC1)c1ccc(-c2ccncc2)cc1 ZINC000531686893 504393833 /nfs/dbraw/zinc/39/38/33/504393833.db2.gz MGWJPCSGKVMZNQ-IBGZPJMESA-N 2 0 352.526 3.427 20 0 FGADRP CC[NH+](CC)C[C@@H](C)NC(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000520004485 504397585 /nfs/dbraw/zinc/39/75/85/504397585.db2.gz LWNPTRPGOSRTKL-LJQANCHMSA-N 2 0 374.573 3.448 20 0 FGADRP C[C@@H](CC(=O)N(C)C)[NH2+]CCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000531714822 504401410 /nfs/dbraw/zinc/40/14/10/504401410.db2.gz QWDCVSBPOPBPAH-IBGZPJMESA-N 2 0 359.558 3.178 20 0 FGADRP COc1ccc([C@H](CNC(=O)C[N@H+](C(C)C)C2CC2)[NH+]2CCCCC2)cc1 ZINC000520045354 504403507 /nfs/dbraw/zinc/40/35/07/504403507.db2.gz XOIYBZUUQGXKNZ-NRFANRHFSA-N 2 0 373.541 3.211 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)NC[C@H](C)C[NH+]1CCCCC1)c1ccco1 ZINC000520067716 504407290 /nfs/dbraw/zinc/40/72/90/504407290.db2.gz CZUCFFUWJUHLEE-ZWKOTPCHSA-N 2 0 364.534 3.084 20 0 FGADRP C[C@H]1CCCC[N@@H+]1CCNC(=O)[C@H]1CCC[NH+](Cc2cccc(F)c2)C1 ZINC000520093867 504410171 /nfs/dbraw/zinc/41/01/71/504410171.db2.gz FOHGHYPITHCQSR-HKUYNNGSSA-N 2 0 361.505 3.028 20 0 FGADRP CC[N@H+](C)Cc1cccc(CNC(=O)[C@H]2CCC[NH+]2Cc2ccccc2)c1 ZINC000520146789 504419038 /nfs/dbraw/zinc/41/90/38/504419038.db2.gz GHCLKNAIIMFKDT-JOCHJYFZSA-N 2 0 365.521 3.419 20 0 FGADRP C[NH+](C)CC[C@H](NC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1)C(C)(C)C ZINC000535426966 504433147 /nfs/dbraw/zinc/43/31/47/504433147.db2.gz HMRLSSATMACOPL-GBESFXJTSA-N 2 0 360.546 3.097 20 0 FGADRP CN1C(=O)C[C@@H](NCC[C@H]2CCCC[N@@H+]2C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000520312378 504463073 /nfs/dbraw/zinc/46/30/73/504463073.db2.gz JRDRIDSPSYXSFK-LSBZLQRGSA-N 2 0 367.896 3.215 20 0 FGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC000520348478 504474354 /nfs/dbraw/zinc/47/43/54/504474354.db2.gz WWPQILZLHQMEMM-VTHDOGFWSA-N 2 0 355.526 3.173 20 0 FGADRP COc1ccc2c(c1)[C@H]([NH2+][C@@H](CN1CC[NH+](C)CC1)c1ccccc1)CC2 ZINC000531965836 504489268 /nfs/dbraw/zinc/48/92/68/504489268.db2.gz HOIQPEYBOVGOHG-PKTZIBPZSA-N 2 0 365.521 3.261 20 0 FGADRP C[C@@H]1C[C@H]([NH2+]CCNc2ncc(C(F)(F)F)cc2Cl)CC[N@@H+]1C ZINC000531977621 504492982 /nfs/dbraw/zinc/49/29/82/504492982.db2.gz FSHBUOPPMXWDEA-ZYHUDNBSSA-N 2 0 350.816 3.238 20 0 FGADRP CC[N@H+](CCC1CCN(C(=O)NC2CC[NH+](CC)CC2)CC1)CC(C)C ZINC000539178539 504493607 /nfs/dbraw/zinc/49/36/07/504493607.db2.gz QEPLCGDAAXNDII-UHFFFAOYSA-N 2 0 366.594 3.260 20 0 FGADRP C[C@H]1C[NH+](CCOc2ccc(CC[NH2+]Cc3ccn(C)c3)cc2)C[C@@H]1C ZINC000539223218 504502033 /nfs/dbraw/zinc/50/20/33/504502033.db2.gz BDVJQSINVGODIN-OALUTQOASA-N 2 0 355.526 3.324 20 0 FGADRP CCC[NH+]1CCN(c2ccccc2C[NH2+]C[C@@H](O)C2CCCCC2)CC1 ZINC000532042433 504514632 /nfs/dbraw/zinc/51/46/32/504514632.db2.gz MOJCQNQSBWEIMB-JOCHJYFZSA-N 2 0 359.558 3.249 20 0 FGADRP CCC[NH+]1CCC([NH2+]C[C@@H](CO)Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000539297099 504523254 /nfs/dbraw/zinc/52/32/54/504523254.db2.gz JLMKBCLTIABJCM-INIZCTEOSA-N 2 0 358.448 3.320 20 0 FGADRP CC[NH+](CC)CC1CC[NH+](C[C@@H](O)COc2cc(C)ccc2Cl)CC1 ZINC000542519674 504523545 /nfs/dbraw/zinc/52/35/45/504523545.db2.gz BVHLPDRLXUJOOM-GOSISDBHSA-N 2 0 368.949 3.442 20 0 FGADRP CN(c1ccccc1C[N@@H+]1CCOCC2(CCC2)C1)C1CC[NH+](C)CC1 ZINC000545557307 504525597 /nfs/dbraw/zinc/52/55/97/504525597.db2.gz HLLOQISKUCWWJE-UHFFFAOYSA-N 2 0 357.542 3.220 20 0 FGADRP OC[C@H]1CCC[N@@H+]1CCCC[NH2+][C@@H]1CCCOc2cc(Cl)ccc21 ZINC000539320801 504528991 /nfs/dbraw/zinc/52/89/91/504528991.db2.gz YSUJJGLMWTWNIB-SJLPKXTDSA-N 2 0 352.906 3.380 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)C12CCC[NH+]1CCC2)c1ccccc1Cl ZINC000548740659 504547992 /nfs/dbraw/zinc/54/79/92/504547992.db2.gz DYKCKIZQXYMYRC-SFHVURJKSA-N 2 0 363.933 3.468 20 0 FGADRP C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+][C@H]1CN(C2CC2)C[C@H]1C ZINC000532246775 504584815 /nfs/dbraw/zinc/58/48/15/504584815.db2.gz DGPWGGJMOQMVEX-CLCXKQKWSA-N 2 0 363.933 3.149 20 0 FGADRP CC(C)C[C@H](CNC(=O)NCC1=CC[N@H+](C)CC1)[NH2+][C@H](C)c1ccccc1 ZINC000539485804 504586927 /nfs/dbraw/zinc/58/69/27/504586927.db2.gz FRZFGUREXTYFOL-WIYYLYMNSA-N 2 0 372.557 3.313 20 0 FGADRP CC1CC[NH+](Cc2ccc(C[NH2+][C@H](Cc3ccccc3)C(N)=O)cc2)CC1 ZINC000542729499 504590117 /nfs/dbraw/zinc/59/01/17/504590117.db2.gz XNWDTGBPXQGOGY-JOCHJYFZSA-N 2 0 365.521 3.105 20 0 FGADRP C[N@H+](CCN1CC[NH+](Cc2cccc3cccnc32)CC1)Cc1ccccc1 ZINC000520929641 504612055 /nfs/dbraw/zinc/61/20/55/504612055.db2.gz DBJQRDXSDKODBO-UHFFFAOYSA-N 2 0 374.532 3.484 20 0 FGADRP CC1=CC[N@H+](CCNC(=O)[C@H]2CCn3c(cnc3C3CCCCC3)C2)CC1 ZINC000545869791 504620487 /nfs/dbraw/zinc/62/04/87/504620487.db2.gz NPXMZVIFKPSDPB-IBGZPJMESA-N 2 0 370.541 3.261 20 0 FGADRP CC1=CC[N@H+](CCNC(=O)[C@@H]2CCn3c(cnc3C3CCCCC3)C2)CC1 ZINC000545869794 504620668 /nfs/dbraw/zinc/62/06/68/504620668.db2.gz NPXMZVIFKPSDPB-LJQANCHMSA-N 2 0 370.541 3.261 20 0 FGADRP CC1CC[NH+](Cc2ccc(CNC(=O)N[C@H]3CC[NH2+]C34CCC4)cc2)CC1 ZINC000529291682 504622578 /nfs/dbraw/zinc/62/25/78/504622578.db2.gz ZJVXCOQAHQDEPV-FQEVSTJZSA-N 2 0 370.541 3.002 20 0 FGADRP C[C@]12C[C@H]1CCC[C@@H]2[NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000520996627 504626089 /nfs/dbraw/zinc/62/60/89/504626089.db2.gz DTUJRRCSUYCAOD-URVUXULASA-N 2 0 355.526 3.052 20 0 FGADRP COc1cc(C)ccc1[C@H](C)[NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000532497710 504671827 /nfs/dbraw/zinc/67/18/27/504671827.db2.gz PRSDTVWPFBLJKS-KRWDZBQOSA-N 2 0 369.509 3.146 20 0 FGADRP CC[NH+](CC)CCCC1CCN(C(=O)NC[C@@H](C)[N@H+](C)C2CC2)CC1 ZINC000542964714 504675567 /nfs/dbraw/zinc/67/55/67/504675567.db2.gz MRKPUKHXZCDOFS-QGZVFWFLSA-N 2 0 352.567 3.013 20 0 FGADRP CC[N@@H+]1CCCC[C@H]1C(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000521233521 504689322 /nfs/dbraw/zinc/68/93/22/504689322.db2.gz QKKRSRJKTSHWOC-NRFANRHFSA-N 2 0 357.542 3.409 20 0 FGADRP C[N@@H+]1CCC[C@H](CCNC(=O)[C@H]2CCCN2Cc2ccc(Cl)cc2)C1 ZINC000529484353 504693882 /nfs/dbraw/zinc/69/38/82/504693882.db2.gz WSHDOCJEMHWCIG-VQIMIIECSA-N 2 0 363.933 3.153 20 0 FGADRP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(OCc3nccn3C)cc2)C[C@H]1C ZINC000532589542 504704430 /nfs/dbraw/zinc/70/44/30/504704430.db2.gz LFVMGXRBVVYADB-MJGOQNOKSA-N 2 0 356.514 3.304 20 0 FGADRP C[C@@H]1C[NH+](CCCC[NH2+]Cc2cc(Cl)cc3c2OCC3)C[C@@H](C)O1 ZINC000543062320 504708474 /nfs/dbraw/zinc/70/84/74/504708474.db2.gz CJSMUXPUQFPKFG-HUUCEWRRSA-N 2 0 352.906 3.254 20 0 FGADRP C[NH+]1CCN(CCC[NH2+][C@H]2CCCc3c(Br)cccc32)CC1 ZINC000543079803 504715562 /nfs/dbraw/zinc/71/55/62/504715562.db2.gz PZPCYFZLXSKETQ-SFHVURJKSA-N 2 0 366.347 3.054 20 0 FGADRP [NH3+][C@H](CCC(=O)NCc1ccccc1C[NH+]1CCCC1)c1ccccc1 ZINC000521430680 504736062 /nfs/dbraw/zinc/73/60/62/504736062.db2.gz YFXWYMQLQBOVNT-OAQYLSRUSA-N 2 0 351.494 3.379 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)[C@H]1CCC[N@@H+]1Cc1ccccc1)c1ccco1 ZINC000521487105 504746003 /nfs/dbraw/zinc/74/60/03/504746003.db2.gz VYXGAMJWPXZMHF-WOJBJXKFSA-N 2 0 369.509 3.443 20 0 FGADRP COc1ccc(F)c(C[NH2+]CCCN2CC[N@H+](C)C[C@H]2c2ccccc2)c1 ZINC000559245184 504806725 /nfs/dbraw/zinc/80/67/25/504806725.db2.gz UNMLQDYGBYNILI-QFIPXVFZSA-N 2 0 371.500 3.303 20 0 FGADRP [NH3+][C@H]1CCC[C@@H]([NH2+]C2CCN(Cc3ccc(Br)cc3)CC2)C1 ZINC000565225819 504830685 /nfs/dbraw/zinc/83/06/85/504830685.db2.gz GNRLOZSPAKLFKP-FUHWJXTLSA-N 2 0 366.347 3.273 20 0 FGADRP Cc1ccccc1-n1cc(C[NH2+]CCCC[NH+]2C[C@@H](C)C[C@H](C)C2)nn1 ZINC000565326086 504854648 /nfs/dbraw/zinc/85/46/48/504854648.db2.gz PQNHGTJLXWCJJH-ROUUACIJSA-N 2 0 355.530 3.423 20 0 FGADRP Cn1nccc1[C@@H]1CCC[C@@H]([NH2+]CCc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000562615099 504880646 /nfs/dbraw/zinc/88/06/46/504880646.db2.gz CZXZZHAKPBHPHH-WOJBJXKFSA-N 2 0 370.541 3.219 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1CCC(=O)NC[C@@H]1CCC[NH+](Cc2cccs2)C1 ZINC000549750987 504887972 /nfs/dbraw/zinc/88/79/72/504887972.db2.gz PRLICOOXNFHFDP-MSOLQXFVSA-N 2 0 363.571 3.341 20 0 FGADRP CC[C@@H](C(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1)[N@H+](C)Cc1ccccc1 ZINC000549771318 504893804 /nfs/dbraw/zinc/89/38/04/504893804.db2.gz JQFWOLGVXFYBDO-SFTDATJTSA-N 2 0 357.542 3.231 20 0 FGADRP Cc1ccc([C@@H](CNC(=O)[C@@H]2CC[N@H+](Cc3ccccc3)C2)[NH+](C)C)cc1 ZINC000553391827 504902260 /nfs/dbraw/zinc/90/22/60/504902260.db2.gz JQFDODVUKMNDCA-FGZHOGPDSA-N 2 0 365.521 3.236 20 0 FGADRP C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000553390816 504902312 /nfs/dbraw/zinc/90/23/12/504902312.db2.gz PWIMINDVJBFSQK-GHTZIAJQSA-N 2 0 370.541 3.051 20 0 FGADRP COCc1cccc(OCC2(C[N@@H+]3CC[C@]4(C3)CCC[NH+](C)C4)CC2)c1 ZINC000549840428 504912656 /nfs/dbraw/zinc/91/26/56/504912656.db2.gz XWQBTHMEZGAGFZ-OAQYLSRUSA-N 2 0 358.526 3.410 20 0 FGADRP Cc1cc(C)c(NC(=O)[C@H](C)[NH+]2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)c(C)c1 ZINC000565648674 504948219 /nfs/dbraw/zinc/94/82/19/504948219.db2.gz SRXNNHSEISZEFI-YSIASYRMSA-N 2 0 373.541 3.157 20 0 FGADRP CC[NH+](CC)CCN(Cc1ccccc1)C(=O)c1ccc(C[NH+](C)C)nc1 ZINC000550142523 504976732 /nfs/dbraw/zinc/97/67/32/504976732.db2.gz UGNYGEIZTLXITG-UHFFFAOYSA-N 2 0 368.525 3.127 20 0 FGADRP CC[C@H](Cn1cncn1)[NH2+]CC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000565804421 504992450 /nfs/dbraw/zinc/99/24/50/504992450.db2.gz UNHAGJJCXDCKJA-GOSISDBHSA-N 2 0 361.921 3.212 20 0 FGADRP C[C@H](C[NH2+][C@@H](C)c1ccccc1-n1ccnn1)N1CCc2ccccc2C1 ZINC000556869788 505001414 /nfs/dbraw/zinc/00/14/14/505001414.db2.gz CLLOVIJSPPQXGB-MSOLQXFVSA-N 2 0 361.493 3.365 20 0 FGADRP C[C@@H](CNC(=O)N(C)CCC[N@H+](C)Cc1ccco1)[NH+]1CCCC[C@@H]1C ZINC000553770717 505005033 /nfs/dbraw/zinc/00/50/33/505005033.db2.gz WBAPEGYHLCWJNO-ROUUACIJSA-N 2 0 364.534 3.006 20 0 FGADRP CNC(=O)C(C)(C)C[NH2+][C@@H]1CCCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000556885993 505007062 /nfs/dbraw/zinc/00/70/62/505007062.db2.gz KDNUJPUOQOXSOO-SLFFLAALSA-N 2 0 357.542 3.039 20 0 FGADRP C(CC[NH+]1CCC[C@@H]1[C@@H]1CCCO1)CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCO1 ZINC000560184332 505014120 /nfs/dbraw/zinc/01/41/20/505014120.db2.gz QJPIIWNVINYYLH-CGXNFDGLSA-N 2 0 350.547 3.444 20 0 FGADRP CCC[NH+]1CCN(c2ccccc2C[N@@H+]2CCC[C@@H]2[C@H]2CCCO2)CC1 ZINC000560265080 505033552 /nfs/dbraw/zinc/03/35/52/505033552.db2.gz DGCKGDCGJUNROJ-FGZHOGPDSA-N 2 0 357.542 3.362 20 0 FGADRP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)Nc2ccc3c(c2F)CC[NH2+]C3)C1 ZINC000557038904 505050500 /nfs/dbraw/zinc/05/05/00/505050500.db2.gz OSLFCTQIUXBWLD-AWEZNQCLSA-N 2 0 362.493 3.103 20 0 FGADRP Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@H]2[NH2+]CC[C@H]2CCC[NH2+]C2)cc1 ZINC000566088199 505076132 /nfs/dbraw/zinc/07/61/32/505076132.db2.gz KACAZNXKLNFTOF-MISYRCLQSA-N 2 0 364.555 3.059 20 0 FGADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCc2nc(-c3ccc(F)cc3F)cn2C1 ZINC000566088764 505076654 /nfs/dbraw/zinc/07/66/54/505076654.db2.gz KZFVDFMHBXJLNR-DHSIGJKJSA-N 2 0 360.452 3.250 20 0 FGADRP FC(F)(F)COc1cccc(C[N@@H+]2CCC[C@H](N3CCOCC3)CC2)c1 ZINC000550664820 505081255 /nfs/dbraw/zinc/08/12/55/505081255.db2.gz YEXSPGOCZOGPSA-KRWDZBQOSA-N 2 0 372.431 3.314 20 0 FGADRP C[C@@H]1C[C@@H](C)C[NH+](CCCC[NH2+]C[C@@H](O)COc2cccc3[nH]ccc32)C1 ZINC000566106080 505082100 /nfs/dbraw/zinc/08/21/00/505082100.db2.gz GJGHLHQEYSSQGE-GUDVDZBRSA-N 2 0 373.541 3.255 20 0 FGADRP CC(=O)c1cccc(OC[C@@H](O)C[NH2+]C2CC[NH+](C3CCCCC3)CC2)c1 ZINC000566111955 505085700 /nfs/dbraw/zinc/08/57/00/505085700.db2.gz IUMMKPQVMUARPV-NRFANRHFSA-N 2 0 374.525 3.016 20 0 FGADRP COc1ccc2c(c1)C[C@@H]([NH2+]Cc1ccncc1OCCC[NH+](C)C)CC2 ZINC000563275290 505093151 /nfs/dbraw/zinc/09/31/51/505093151.db2.gz PEHXUUGOEDUUPT-FQEVSTJZSA-N 2 0 369.509 3.068 20 0 FGADRP C[N@@H+]1CC[C@H]([NH2+]C[C@H](O)COc2cccc(Cl)c2Cl)[C@@H]2CCC[C@H]21 ZINC000560530245 505116168 /nfs/dbraw/zinc/11/61/68/505116168.db2.gz PGQIAXOUHYTHJY-DARAHFNDSA-N 2 0 373.324 3.196 20 0 FGADRP C[C@H]([NH2+]CC1CC[NH2+]CC1)c1nc(-c2ccc(Br)cc2)no1 ZINC000566229555 505118724 /nfs/dbraw/zinc/11/87/24/505118724.db2.gz GNTZFQYVKDHCHN-NSHDSACASA-N 2 0 365.275 3.149 20 0 FGADRP C[C@]1(c2ccccc2)CC[C@H]([N@@H+]2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)C1 ZINC000566230598 505119749 /nfs/dbraw/zinc/11/97/49/505119749.db2.gz INAUHNALLQIITH-ROQCDXFCSA-N 2 0 369.553 3.077 20 0 FGADRP C[C@H](C(=O)Nc1cccc2ccccc21)[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000566242735 505121533 /nfs/dbraw/zinc/12/15/33/505121533.db2.gz XQMWSCFVDSOYTI-APWZRJJASA-N 2 0 351.494 3.488 20 0 FGADRP C[C@@H]1CC[C@H]([NH2+]CCCN2CCc3ccccc3C2)[C@H](n2cncn2)C1 ZINC000551268107 505189819 /nfs/dbraw/zinc/18/98/19/505189819.db2.gz ZTLFIICZGKVRHE-JRGCBEDISA-N 2 0 353.514 3.046 20 0 FGADRP CC(C)CN(C(=O)CN1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1)C1CC1 ZINC000563658148 505203099 /nfs/dbraw/zinc/20/30/99/505203099.db2.gz UQMDPASJKRYTKP-LEWJYISDSA-N 2 0 369.553 3.087 20 0 FGADRP NC(=O)C1CC[NH+](Cc2ccc(C[NH2+][C@H]3CCCC34CCC4)cc2)CC1 ZINC000560887111 505207479 /nfs/dbraw/zinc/20/74/79/505207479.db2.gz VYCLTFJSGWSMRB-FQEVSTJZSA-N 2 0 355.526 3.196 20 0 FGADRP O[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH+]1CCCC[N@H+]1CCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000563680607 505209569 /nfs/dbraw/zinc/20/95/69/505209569.db2.gz AQIJVTXSSOIFHL-RXGLGVBBSA-N 2 0 364.574 3.017 20 0 FGADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2C[C@@H]([NH+]3CCCC3)C[C@H]2C)C1 ZINC000557853187 505245835 /nfs/dbraw/zinc/24/58/35/505245835.db2.gz YFOISFJQUJZIKA-QRVBRYPASA-N 2 0 364.578 3.155 20 0 FGADRP CN(C(=O)[C@H](Cc1ccccc1)[NH2+][C@@H]1CCC[C@H]([NH3+])C1)c1ccccc1 ZINC000563821611 505248882 /nfs/dbraw/zinc/24/88/82/505248882.db2.gz VKMOMVBXONIEFK-ZVDOUQERSA-N 2 0 351.494 3.120 20 0 FGADRP Cc1nc([C@@H]2CCCOC2)sc1C(=O)Nc1cnccc1-n1ccnc1 ZINC000563825440 505249681 /nfs/dbraw/zinc/24/96/81/505249681.db2.gz BGCZQSNGVLEBTN-CYBMUJFWSA-N 2 0 369.450 3.179 20 0 FGADRP CCCC[NH+]1CCC(NC(=O)N[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000566917277 505311019 /nfs/dbraw/zinc/31/10/19/505311019.db2.gz CHLBQRXLOFBDKL-QFIPXVFZSA-N 2 0 372.557 3.215 20 0 FGADRP CC(C)[N@@H+](C)C[C@H](C)NC(=O)NCc1ccc(C[NH+]2CCC[C@H](C)C2)cc1 ZINC000567006207 505336346 /nfs/dbraw/zinc/33/63/46/505336346.db2.gz FLLWQHBPFCDEJE-OALUTQOASA-N 2 0 374.573 3.446 20 0 FGADRP CCOC(=O)COc1ccc(C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)cc1 ZINC000551977807 505359869 /nfs/dbraw/zinc/35/98/69/505359869.db2.gz CLORNFWHVNWAQU-UHFFFAOYSA-N 2 0 362.514 3.181 20 0 FGADRP C[C@H]([NH2+]CCC[N@H+](C)Cc1ccccc1)c1ccc2c(c1)OCC(=O)N2 ZINC000552034050 505376466 /nfs/dbraw/zinc/37/64/66/505376466.db2.gz BEKLFWGRXZZZPI-INIZCTEOSA-N 2 0 353.466 3.190 20 0 FGADRP CCOC1CC(O)(C[NH2+][C@@H]2CCCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000552056634 505383540 /nfs/dbraw/zinc/38/35/40/505383540.db2.gz MHSPAPPUPFODCL-FVOUEADFSA-N 2 0 372.553 3.197 20 0 FGADRP C[C@H](CCc1ccc(F)cc1F)[NH2+]Cc1ccnc(OCC[NH+](C)C)c1 ZINC000552061581 505387267 /nfs/dbraw/zinc/38/72/67/505387267.db2.gz ROSYZFYZBIHGHK-OAHLLOKOSA-N 2 0 363.452 3.411 20 0 FGADRP CN(C)c1nccc(C[NH2+]C2CCC([N@H+](C)Cc3ccccc3)CC2)n1 ZINC000552063974 505388175 /nfs/dbraw/zinc/38/81/75/505388175.db2.gz UBPNAOXJSJUDDQ-UHFFFAOYSA-N 2 0 353.514 3.075 20 0 FGADRP CC[NH+]1CCC(NC(=O)C[NH2+]C(C)(C)c2cccc(C(F)(F)F)c2)CC1 ZINC000561666001 505404618 /nfs/dbraw/zinc/40/46/18/505404618.db2.gz ASLRGHXEOMIWBU-UHFFFAOYSA-N 2 0 371.447 3.131 20 0 FGADRP COc1ccc([C@H](C)[NH2+]CC2(N3CCCCC3)CC[NH+](C)CC2)cc1O ZINC000558493527 505407530 /nfs/dbraw/zinc/40/75/30/505407530.db2.gz RZMYHCKJLDATBL-KRWDZBQOSA-N 2 0 361.530 3.002 20 0 FGADRP CSC1(C[NH2+][C@H](CCn2cncn2)c2ccc(C)cc2)CC[NH+](C)CC1 ZINC000558505578 505411432 /nfs/dbraw/zinc/41/14/32/505411432.db2.gz KCLUUCNBAZNLBO-LJQANCHMSA-N 2 0 373.570 3.135 20 0 FGADRP O=C(c1ccc(C[NH+]2CCCC2)cc1)N1CC[NH+](C2CCCCC2)CC1 ZINC000558830638 505505449 /nfs/dbraw/zinc/50/54/49/505505449.db2.gz OQPVLTXHGVWMPH-UHFFFAOYSA-N 2 0 355.526 3.373 20 0 FGADRP CC(C)[NH+]1CCN(c2ccc(-c3nc(C4([NH3+])CCCCC4)no3)cc2)CC1 ZINC000567663453 505527946 /nfs/dbraw/zinc/52/79/46/505527946.db2.gz AAMCYZBZHPJBBR-UHFFFAOYSA-N 2 0 369.513 3.385 20 0 FGADRP CC[NH+]1CCC(C[NH2+][C@@H](C)c2ccc(OCCOC)c(OC)c2)CC1 ZINC000564816653 505528012 /nfs/dbraw/zinc/52/80/12/505528012.db2.gz ABWABKDKFMJANK-INIZCTEOSA-N 2 0 350.503 3.103 20 0 FGADRP C[NH+](C)C1CCC([NH2+]C[C@@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000567692690 505538378 /nfs/dbraw/zinc/53/83/78/505538378.db2.gz AIZNGQVFRSVUBB-JXQTWKCFSA-N 2 0 361.313 3.196 20 0 FGADRP O[C@H](C[NH2+]CC1CC[NH+](C2CC2)CC1)COc1c(Cl)cccc1Cl ZINC000564861680 505542446 /nfs/dbraw/zinc/54/24/46/505542446.db2.gz BCKZRWNPXOYTMU-OAHLLOKOSA-N 2 0 373.324 3.197 20 0 FGADRP CC[N@H+](CCNC(=O)NC[C@@H]1CCCC[NH+](Cc2ccccc2)C1)C(C)C ZINC000562240366 505549519 /nfs/dbraw/zinc/54/95/19/505549519.db2.gz BLMMEOJNDCQTCI-NRFANRHFSA-N 2 0 374.573 3.318 20 0 FGADRP C[C@H](C(=O)NCc1ccc(OC2CC[NH+](C)CC2)cc1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000552780149 505553343 /nfs/dbraw/zinc/55/33/43/505553343.db2.gz ZNXTYTOLHDZOGX-FGTMMUONSA-N 2 0 373.541 3.037 20 0 FGADRP c1ccc(CN2CC[C@@H]([NH2+]CCCOC[C@@H]3CCOC3)CC23CC3)cc1 ZINC000567851337 505568214 /nfs/dbraw/zinc/56/82/14/505568214.db2.gz ALYXVUVHQWJTTJ-LEWJYISDSA-N 2 0 358.526 3.216 20 0 FGADRP C[C@H](C(=O)Nc1ccc(C(F)(F)F)cc1)[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000567889199 505570143 /nfs/dbraw/zinc/57/01/43/505570143.db2.gz BPAHAHFUSWHGJQ-UKRRQHHQSA-N 2 0 369.431 3.354 20 0 FGADRP [NH3+]C[C@@H]1CN(Cc2csc(CCc3ccccc3)n2)CC12CCOCC2 ZINC000582849780 506454812 /nfs/dbraw/zinc/45/48/12/506454812.db2.gz YKJAQXNFEPIOSD-GOSISDBHSA-N 2 0 371.550 3.116 20 0 FGADRP CC[C@@H](C)[N@H+](C)CCNC(=O)NC[C@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC000589217237 506488877 /nfs/dbraw/zinc/48/88/77/506488877.db2.gz DTADQHCYEUZDIX-UYAOXDASSA-N 2 0 360.546 3.161 20 0 FGADRP CC[C@H](C)[N@H+](C)CCNC(=O)N1CCC[NH+](CC2CCCCC2)CC1 ZINC000589220845 506490917 /nfs/dbraw/zinc/49/09/17/506490917.db2.gz XXASLXMETAPFOX-SFHVURJKSA-N 2 0 352.567 3.014 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)C[NH+](C)C3CCC3)cc2)C1 ZINC000608500656 506587705 /nfs/dbraw/zinc/58/77/05/506587705.db2.gz QGKVMERACPHEFG-HDICACEKSA-N 2 0 357.542 3.265 20 0 FGADRP C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)N2CCC(C[NH3+])CC2)C1 ZINC000583133107 506608279 /nfs/dbraw/zinc/60/82/79/506608279.db2.gz UJXURSMGLUWTPB-ROUUACIJSA-N 2 0 372.557 3.045 20 0 FGADRP CC[NH+](CC)C[C@@H](C)NC(=O)N1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000589770610 506645820 /nfs/dbraw/zinc/64/58/20/506645820.db2.gz BJSMNKOOPULENL-LJQANCHMSA-N 2 0 374.573 3.270 20 0 FGADRP CC[NH+](Cc1cccc(C[N@H+](CC)C[C@H]2CCOC2)c1)C[C@@H]1CCOC1 ZINC000604052044 506698620 /nfs/dbraw/zinc/69/86/20/506698620.db2.gz DVICPEWTZNYMJT-SZPZYZBQSA-N 2 0 360.542 3.403 20 0 FGADRP CCN(CC(=O)N1CCc2ccccc21)Cc1ccc(C[NH+](C)C)cc1 ZINC000589999639 506701736 /nfs/dbraw/zinc/70/17/36/506701736.db2.gz PLZAQJLTXSHCJD-UHFFFAOYSA-N 2 0 351.494 3.159 20 0 FGADRP Cc1cccc(N2CC[NH+](CCCC[NH2+]Cc3ccncc3C)CC2)c1 ZINC000583303089 506705166 /nfs/dbraw/zinc/70/51/66/506705166.db2.gz CNKVQRYQYJBZRJ-UHFFFAOYSA-N 2 0 352.526 3.390 20 0 FGADRP C[C@H](OC[C@@H](O)C[NH+]1CCC(C[NH+](C)C)CC1)c1ccc(Cl)cc1 ZINC000590125903 506743983 /nfs/dbraw/zinc/74/39/83/506743983.db2.gz RPQWSWBLPKWXRY-KXBFYZLASA-N 2 0 354.922 3.052 20 0 FGADRP COC(=O)c1ccc(C[NH2+]CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)cc1F ZINC000597047937 506748992 /nfs/dbraw/zinc/74/89/92/506748992.db2.gz SEZOCGIZQLUKHC-IYBDPMFKSA-N 2 0 350.478 3.460 20 0 FGADRP C[NH+](C)CC1CCC(NC(=O)[C@H](C[NH+]2CCCC2)c2ccccc2)CC1 ZINC000612796738 506751248 /nfs/dbraw/zinc/75/12/48/506751248.db2.gz RBPBFBXYKYZKFN-DQVLVPHSSA-N 2 0 357.542 3.103 20 0 FGADRP C[NH+](C)CC1CCC(NC(=O)[C@@H](C[NH+]2CCCC2)c2ccccc2)CC1 ZINC000612796752 506751730 /nfs/dbraw/zinc/75/17/30/506751730.db2.gz RBPBFBXYKYZKFN-MNLRITNHSA-N 2 0 357.542 3.103 20 0 FGADRP CC(C)C[C@@H](C[NH+](C)C)NC(=O)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000612847192 506777954 /nfs/dbraw/zinc/77/79/54/506777954.db2.gz MDLGUXJOBUHIEW-FQEVSTJZSA-N 2 0 366.594 3.260 20 0 FGADRP COC(=O)c1ccc2c(c1)[C@H](C[NH2+]C1CC[NH+](CC3CC3)CC1)CCC2 ZINC000597202378 506832537 /nfs/dbraw/zinc/83/25/37/506832537.db2.gz ZASGVUDAEACAQK-IBGZPJMESA-N 2 0 356.510 3.357 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)c2ccc3c(c2)C[NH2+]C3)CC1 ZINC000583696139 506921788 /nfs/dbraw/zinc/92/17/88/506921788.db2.gz GPRZJARIACDZFS-QGZVFWFLSA-N 2 0 355.526 3.407 20 0 FGADRP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000613130047 506931535 /nfs/dbraw/zinc/93/15/35/506931535.db2.gz YVIWKPKDDQUGJH-RXVVDRJESA-N 2 0 357.542 3.055 20 0 FGADRP Cc1cc2ncn(C[C@H](O)C[NH+]3CCC(C[N@@H+](C)C(C)C)CC3)c2cc1C ZINC000590786360 506955339 /nfs/dbraw/zinc/95/53/39/506955339.db2.gz TYYSUCZRDJRRJJ-HXUWFJFHSA-N 2 0 372.557 3.066 20 0 FGADRP O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000583800628 506982185 /nfs/dbraw/zinc/98/21/85/506982185.db2.gz UAIDUIKOYBXAOL-NRFANRHFSA-N 2 0 364.493 3.291 20 0 FGADRP CC(C)[C@@H](CNCc1ccc(OCC[NH+](C)C)cc1)[NH+]1CCC(C)CC1 ZINC000613260323 506998746 /nfs/dbraw/zinc/99/87/46/506998746.db2.gz PVKLZAJIERPUOW-JOCHJYFZSA-N 2 0 361.574 3.473 20 0 FGADRP Oc1cccc(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)c1 ZINC000583885119 507029670 /nfs/dbraw/zinc/02/96/70/507029670.db2.gz AXAOOFWUQUHVPD-NRFANRHFSA-N 2 0 366.505 3.411 20 0 FGADRP CC[N@@H+]1CCCC[C@H]1C(=O)NCc1ccccc1C[NH+]1CCC[C@H](C)C1 ZINC000591096977 507113588 /nfs/dbraw/zinc/11/35/88/507113588.db2.gz PCSJLSVEWVHIFT-RXVVDRJESA-N 2 0 357.542 3.409 20 0 FGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC000591152296 507135170 /nfs/dbraw/zinc/13/51/70/507135170.db2.gz JOZSUVVZZDNSOQ-NHCUHLMSSA-N 2 0 357.542 3.450 20 0 FGADRP CCC[N@H+](CC)C[C@H](C)NC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000584086362 507142856 /nfs/dbraw/zinc/14/28/56/507142856.db2.gz GCLNAZMFTHYNPQ-IBGZPJMESA-N 2 0 374.573 3.379 20 0 FGADRP C[N@H+](CCNC(=O)NC[C@H]1CCC[NH+](Cc2ccccc2)C1)C1CCCC1 ZINC000591410096 507239824 /nfs/dbraw/zinc/23/98/24/507239824.db2.gz FDKYFOFIKCGYIY-HXUWFJFHSA-N 2 0 372.557 3.072 20 0 FGADRP C[NH+](C)CCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC000591445049 507252487 /nfs/dbraw/zinc/25/24/87/507252487.db2.gz AWWPNQRCUPILPD-HNNXBMFYSA-N 2 0 372.340 3.225 20 0 FGADRP CC[NH+](CC)Cc1ccc(CNC(=O)N2CCC[C@H]([NH2+]C(C)C)C2)cc1 ZINC000601222618 507300838 /nfs/dbraw/zinc/30/08/38/507300838.db2.gz AJVPRKSWKXSLIV-FQEVSTJZSA-N 2 0 360.546 3.200 20 0 FGADRP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N[C@@H](C)C[NH+]2CCCCC2)C1 ZINC000601243439 507308841 /nfs/dbraw/zinc/30/88/41/507308841.db2.gz MCKCQQMBSZEVLV-ROUUACIJSA-N 2 0 352.567 3.061 20 0 FGADRP CSC1(C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3C)CC2)CC[NH+](C)CC1 ZINC000584380631 507311699 /nfs/dbraw/zinc/31/16/99/507311699.db2.gz MELCBCFPJQHGKF-IEBWSBKVSA-N 3 0 353.620 3.447 20 0 FGADRP CCC(C)(C)[NH2+][C@H](C)C(=O)NC[C@@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000584415543 507333467 /nfs/dbraw/zinc/33/34/67/507333467.db2.gz MYGFCRKKKCZFTM-ZBFHGGJFSA-N 2 0 353.938 3.268 20 0 FGADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H]2CCc3ccc(I)cc32)C1 ZINC000595016807 507355019 /nfs/dbraw/zinc/35/50/19/507355019.db2.gz XNOAJELIAMWIKK-BLLLJJGKSA-N 2 0 370.278 3.210 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)N2CC[C@](C)(C[NH3+])C2)C1 ZINC000584458674 507357133 /nfs/dbraw/zinc/35/71/33/507357133.db2.gz AXDGTDXZYWGBDH-KGVIQGDOSA-N 2 0 372.557 3.045 20 0 FGADRP COc1cc2c(cc1F)[nH+]ccc2N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000584540197 507401120 /nfs/dbraw/zinc/40/11/20/507401120.db2.gz QGPPSJGBAYIRFI-OAHLLOKOSA-N 2 0 359.445 3.074 20 0 FGADRP CC[NH+](CC)CCCNC(=O)C1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000606539560 507438108 /nfs/dbraw/zinc/43/81/08/507438108.db2.gz LKJAQSLAOCPMFI-XYOKQWHBSA-N 2 0 357.542 3.260 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)C2CC[NH+](Cc3ccccc3)CC2)C[C@H]1C ZINC000607125425 507623230 /nfs/dbraw/zinc/62/32/30/507623230.db2.gz PMDXCFWVUACQKA-NQIIRXRSSA-N 2 0 357.542 3.230 20 0 FGADRP CCO[C@@H]1C[C@@H]([NH2+][C@H](C)c2cccc(OCC[NH+](C)C)c2)[C@@H]1SC ZINC000592393454 507634639 /nfs/dbraw/zinc/63/46/39/507634639.db2.gz ATGQUQUSOURJCA-AXUOBQJMSA-N 2 0 352.544 3.187 20 0 FGADRP C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]CCCCC(=O)OC(C)(C)C ZINC000611367561 507644536 /nfs/dbraw/zinc/64/45/36/507644536.db2.gz KHOXOLXRYKMDOF-MJGOQNOKSA-N 2 0 361.530 3.394 20 0 FGADRP C[C@H]1CCC[N@H+](CCNC(=O)N2CCC[NH+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000607175901 507645623 /nfs/dbraw/zinc/64/56/23/507645623.db2.gz ZCKMJSKRBYWENB-PMACEKPBSA-N 2 0 372.557 3.024 20 0 FGADRP COC(=O)COc1c(C)cc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cc1C ZINC000592433663 507656414 /nfs/dbraw/zinc/65/64/14/507656414.db2.gz OFTNTHRUZKCPDQ-VQTJNVASSA-N 2 0 374.525 3.067 20 0 FGADRP CC(C)[C@H](NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1ccc(Cl)cc1 ZINC000607228451 507661130 /nfs/dbraw/zinc/66/11/30/507661130.db2.gz PUORBTJKDSEHEN-SFHVURJKSA-N 2 0 368.953 3.172 20 0 FGADRP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000595825831 507701715 /nfs/dbraw/zinc/70/17/15/507701715.db2.gz JSCICDKNUQZGRR-PMACEKPBSA-N 2 0 364.578 3.301 20 0 FGADRP Cc1c(NC[C@H]2CC[NH+]2C(C)(C)C)ncnc1NC[C@H]1CC[N@@H+]1C(C)(C)C ZINC000630095185 522615362 /nfs/dbraw/zinc/61/53/62/522615362.db2.gz VPRUDMBMYSRSBL-IAGOWNOFSA-N 2 0 374.577 3.354 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[NH+](CCc3ccccc3)C2)[C@H](C)C1 ZINC000669123977 568082471 /nfs/dbraw/zinc/08/24/71/568082471.db2.gz LDCPSUMZFIXVCN-FCEUIQTBSA-N 2 0 371.569 3.130 20 0 FGADRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@H]1CCCc2cc(-c3nn[nH]n3)ccc21 ZINC000825413058 608494821 /nfs/dbraw/zinc/49/48/21/608494821.db2.gz WZIWYLSVWSPLFF-BEFAXECRSA-N 2 0 356.518 3.344 20 0 FGADRP CC(C)CC[NH+]1CCC(C[NH2+][C@H](C)c2ccc(-c3nn[nH]n3)c(F)c2)CC1 ZINC000824249351 609147013 /nfs/dbraw/zinc/14/70/13/609147013.db2.gz MHIXQUGIRWYEFV-OAHLLOKOSA-N 2 0 374.508 3.415 20 0 FGADRP Cc1ccc(NC(=S)N(CCC[NH+](C)C)CCC[NH+](C)C)cc1F ZINC000007351825 695567455 /nfs/dbraw/zinc/56/74/55/695567455.db2.gz JQCQXJDGXPWTCU-UHFFFAOYSA-N 2 0 354.539 3.036 20 0 FGADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)CC(=O)Nc2ccccc2C(F)(F)F)C1 ZINC000120798479 700660146 /nfs/dbraw/zinc/66/01/46/700660146.db2.gz HUTLIRYEDRDRPH-UONOGXRCSA-N 2 0 357.420 3.354 20 0 FGADRP COCC[N@H+](C)CCCC1CC[NH+](C[C@H](O)c2ccc(Cl)cc2)CC1 ZINC000122142623 700685002 /nfs/dbraw/zinc/68/50/02/700685002.db2.gz LXXLCOBIWDFPEZ-FQEVSTJZSA-N 2 0 368.949 3.444 20 0 FGADRP CCC[NH+]1CCC([NH2+][C@H]2CCN(c3cc(Cl)ccc3OC)C2)CC1 ZINC000157940623 705168195 /nfs/dbraw/zinc/16/81/95/705168195.db2.gz MHWGMGITLRBXKQ-KRWDZBQOSA-N 2 0 351.922 3.391 20 0 FGADRP C[N@@H+]1CCC[C@@H]2C[NH+](C[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)CC[C@H]21 ZINC000158760933 705198494 /nfs/dbraw/zinc/19/84/94/705198494.db2.gz JTHSWZXYSMUMPX-RCCFBDPRSA-N 2 0 351.535 3.050 20 0 FGADRP FC(F)Oc1ccccc1N1CC[C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000166632687 705345625 /nfs/dbraw/zinc/34/56/25/705345625.db2.gz WFGBJSPQODZEJD-OWCLPIDISA-N 2 0 351.441 3.083 20 0 FGADRP C[NH+](C)CCCOc1cccc(NC(=O)[C@@H]([NH3+])c2cccc(Cl)c2)c1 ZINC000168775315 705349394 /nfs/dbraw/zinc/34/93/94/705349394.db2.gz CEDNATGQUDWOBZ-SFHVURJKSA-N 2 0 361.873 3.309 20 0 FGADRP CCN1CC[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000177323005 705617678 /nfs/dbraw/zinc/61/76/78/705617678.db2.gz NPWADNQPYVEGMG-KURKYZTESA-N 2 0 351.535 3.192 20 0 FGADRP CC[NH+](CC)Cc1cc([C@H](C)[NH2+]C[C@]2(O)CCSC2)ccc1OC ZINC000183069373 705876078 /nfs/dbraw/zinc/87/60/78/705876078.db2.gz FXHPJINRHGVOOL-HNAYVOBHSA-N 2 0 352.544 3.056 20 0 FGADRP COc1ccc([C@H](C)[NH2+]C[C@@]2(O)CCSC2)cc1C[NH+]1CCCCC1 ZINC000183069585 705876094 /nfs/dbraw/zinc/87/60/94/705876094.db2.gz ZKFXAQUXLSLJOI-JXFKEZNVSA-N 2 0 364.555 3.200 20 0 FGADRP CC(C)(C)OC(=O)N1CC[C@@](C)(C[NH2+]C2CC[NH+](C(C)(C)C)CC2)C1 ZINC000195191793 713548353 /nfs/dbraw/zinc/54/83/53/713548353.db2.gz RDTLTKWDVXLPHR-FQEVSTJZSA-N 2 0 353.551 3.486 20 0 FGADRP C#CCOc1ccc(Br)cc1CNCCC[N@@H+](C)C(C)C ZINC000221789021 713569639 /nfs/dbraw/zinc/56/96/39/713569639.db2.gz BBGPPMZXESARNL-UHFFFAOYSA-N 2 0 353.304 3.281 20 0 FGADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CCC(=O)Nc3cc(Cl)ccc3Cl)C[C@@H]21 ZINC000261897190 713715795 /nfs/dbraw/zinc/71/57/95/713715795.db2.gz OKOROYYWISMVAE-OSAQELSMSA-N 2 0 356.297 3.381 20 0 FGADRP C[C@H](C[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1)c1cccc(Cl)c1 ZINC000261955065 713716462 /nfs/dbraw/zinc/71/64/62/713716462.db2.gz OOKQXYYAKMGISX-JTDSTZFVSA-N 2 0 363.933 3.024 20 0 FGADRP CO[C@@H](C[N@@H+]1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1)c1ccc(Cl)cc1 ZINC000374917223 713953347 /nfs/dbraw/zinc/95/33/47/713953347.db2.gz RDDOSCTYGRCZFJ-JXFKEZNVSA-N 2 0 365.949 3.128 20 0 FGADRP C[C@@H]([NH2+]CC1(C)CCN(C(=O)OC(C)(C)C)CC1)C1CC[NH+](C)CC1 ZINC000380988108 713977411 /nfs/dbraw/zinc/97/74/11/713977411.db2.gz GTQKTBNIAQCAFF-MRXNPFEDSA-N 2 0 353.551 3.344 20 0 FGADRP C[NH+]1CCC(C)(C[NH2+][C@@H]2CCCC[C@@H]2CNC(=O)OC(C)(C)C)CC1 ZINC000385447511 713983494 /nfs/dbraw/zinc/98/34/94/713983494.db2.gz WWRDSSUONAMRFU-IAGOWNOFSA-N 2 0 353.551 3.391 20 0 FGADRP C[C@@H]([NH2+]C[C@H](O)COc1ccc(Cl)cc1Cl)C1CC[NH+](C)CC1 ZINC000396450847 713991292 /nfs/dbraw/zinc/99/12/92/713991292.db2.gz IWTXSDIHPOOAEU-DOMZBBRYSA-N 2 0 361.313 3.053 20 0 FGADRP C[C@H]([NH2+]C[C@@H](O)COc1ccc(Cl)c(Cl)c1)C1CC[NH+](C)CC1 ZINC000396472708 713991321 /nfs/dbraw/zinc/99/13/21/713991321.db2.gz YSFHARUMYMVKQS-GXTWGEPZSA-N 2 0 361.313 3.053 20 0 FGADRP C[C@H]1C[NH+](CCCC[NH2+]Cc2cscc2Br)C[C@H](C)O1 ZINC000512037378 714128907 /nfs/dbraw/zinc/12/89/07/714128907.db2.gz GPEAFQBBNYFFFF-STQMWFEESA-N 2 0 361.349 3.490 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000523910246 714258407 /nfs/dbraw/zinc/25/84/07/714258407.db2.gz GKQDXGJBNNMIHC-QZTJIDSGSA-N 2 0 354.583 3.307 20 0 FGADRP CC(C)[N@H+](C)CC1CCN(C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)CC1 ZINC000523911724 714258481 /nfs/dbraw/zinc/25/84/81/714258481.db2.gz QBRNXYPEMFEPMA-GOSISDBHSA-N 2 0 354.583 3.115 20 0 FGADRP [NH3+][C@@H]1CCCC[C@H]1NC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000566615094 714440918 /nfs/dbraw/zinc/44/09/18/714440918.db2.gz FZEDANGZNBLZNC-KZNAEPCWSA-N 2 0 364.921 3.046 20 0 FGADRP C[C@@H](CNC(=O)N1CC[NH+](CCC(C)(C)C)CC1)[N@@H+]1CCCC[C@H]1C ZINC000615672310 714543854 /nfs/dbraw/zinc/54/38/54/714543854.db2.gz UBNMRRUGZTYSHR-MSOLQXFVSA-N 2 0 352.567 3.013 20 0 FGADRP CC(C)[NH+](CCNC(=O)NCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1)C(C)C ZINC000618942658 714789769 /nfs/dbraw/zinc/78/97/69/714789769.db2.gz RADXJTIPDLOZQT-HDICACEKSA-N 2 0 354.583 3.161 20 0 FGADRP CN(CCC[NH2+]Cc1cc(Br)c(Cl)s1)CC[NH+](C)C ZINC000623087840 715162668 /nfs/dbraw/zinc/16/26/68/715162668.db2.gz KYUBATOQDIXAAS-UHFFFAOYSA-N 2 0 368.772 3.137 20 0 FGADRP Brc1ccc([C@H]([NH2+]C[C@H]2CCC[NH2+]C2)[C@H]2CCCO2)cc1 ZINC000643500786 718037037 /nfs/dbraw/zinc/03/70/37/718037037.db2.gz INDYOUNTBDPUEY-XKQJLSEDSA-N 2 0 353.304 3.258 20 0 FGADRP Brc1cccc2c1OCCC[C@H]2[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000643534973 718038218 /nfs/dbraw/zinc/03/82/18/718038218.db2.gz GWOADBVABZOAHP-HUUCEWRRSA-N 2 0 351.288 3.395 20 0 FGADRP COc1cc(C[NH2+]Cc2ccc(CN3CCOCC3)cc2)ccc1Cl ZINC000623341569 715314477 /nfs/dbraw/zinc/31/44/77/715314477.db2.gz IXPHFAPPOSSACX-UHFFFAOYSA-N 2 0 360.885 3.471 20 0 FGADRP C[N@@H+]1CC[C@H]([NH2+]C[C@H](c2ccccc2Cl)N2CCOCC2)CC1(C)C ZINC000623347617 715315982 /nfs/dbraw/zinc/31/59/82/715315982.db2.gz GAWPEOLFFCIQBC-QFBILLFUSA-N 2 0 365.949 3.176 20 0 FGADRP C[N@@H+]1CC[C@@H]([NH2+]C2CCN(Cc3ccc(F)c(F)c3)CC2)CC1(C)C ZINC000623363397 715319205 /nfs/dbraw/zinc/31/92/05/715319205.db2.gz RHIMWHOVEYZZEH-QGZVFWFLSA-N 2 0 351.485 3.392 20 0 FGADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H](C)c2cc(Br)ccc2C)CC1 ZINC000623863169 715417624 /nfs/dbraw/zinc/41/76/24/715417624.db2.gz LFSVXJMDRZJADG-HOTGVXAUSA-N 2 0 368.363 3.434 20 0 FGADRP Cc1ccc(Br)cc1[C@@H](C)[NH2+]C[C@@H](C)N1CC[NH+](C)CC1 ZINC000623888652 715424859 /nfs/dbraw/zinc/42/48/59/715424859.db2.gz OUHODHURRUFZFH-HUUCEWRRSA-N 2 0 354.336 3.044 20 0 FGADRP CC(C)(C)OC(=O)N1CCC[C@@H]1C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000779473282 724415810 /nfs/dbraw/zinc/41/58/10/724415810.db2.gz CFLIHHWJXGNWSP-GOSISDBHSA-N 2 0 351.535 3.194 20 0 FGADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000625899376 715810487 /nfs/dbraw/zinc/81/04/87/715810487.db2.gz SAZDXWAHAWEWPO-ZWKOTPCHSA-N 2 0 362.543 3.137 20 0 FGADRP C[NH+](C)C[C@H](NC(=O)N[C@H]1CCC[C@H]([NH3+])C1)c1ccc(Cl)c(Cl)c1 ZINC000627087223 715995216 /nfs/dbraw/zinc/99/52/16/715995216.db2.gz HSGCRDMDGYQIMS-XEZPLFJOSA-N 2 0 373.328 3.165 20 0 FGADRP [NH3+]CCCOCC[NH2+][C@@H](c1ccccc1)c1ccc(Br)cc1 ZINC000629538159 716304159 /nfs/dbraw/zinc/30/41/59/716304159.db2.gz MQDCNGNUHILXMO-SFHVURJKSA-N 2 0 363.299 3.494 20 0 FGADRP COc1ccc([C@H]([NH2+]CCOCCC[NH3+])C(C)C)c(Br)c1 ZINC000629541355 716305205 /nfs/dbraw/zinc/30/52/05/716305205.db2.gz YWTBSZMXTRAAJF-MRXNPFEDSA-N 2 0 359.308 3.110 20 0 FGADRP COc1ccc([C@@H](C[NH3+])C[N@@H+]2CC[C@@H](O)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000629581600 716311718 /nfs/dbraw/zinc/31/17/18/716311718.db2.gz BZHKGVVKFDYAID-PWIZWCRZSA-N 2 0 360.885 3.199 20 0 FGADRP FC(F)(F)Cc1ccccc1C[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000631074371 716560353 /nfs/dbraw/zinc/56/03/53/716560353.db2.gz AZUVUENWZZKMJI-OAHLLOKOSA-N 2 0 356.432 3.382 20 0 FGADRP Clc1ccc(CN2CCC([NH2+]CC34CC(C3)C[NH2+]4)CC2)cc1Cl ZINC000634995546 717138966 /nfs/dbraw/zinc/13/89/66/717138966.db2.gz HZIYCKOYOMRUQC-UHFFFAOYSA-N 2 0 354.325 3.299 20 0 FGADRP C[C@@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+][C@H]1CC[C@H](C[NH3+])CC1 ZINC000635007588 717139447 /nfs/dbraw/zinc/13/94/47/717139447.db2.gz RJIQTIDPEHXUQJ-ZOBUZTSGSA-N 2 0 351.922 3.184 20 0 FGADRP C[C@H]1CCC[N@H+](CCCCNC(=O)C[C@H](n2ccnc2)C(F)(F)F)C1 ZINC000635324980 717161830 /nfs/dbraw/zinc/16/18/30/717161830.db2.gz KQQSKGKDAFZLBU-GJZGRUSLSA-N 2 0 360.424 3.005 20 0 FGADRP C[NH+](C)[C@@H](CNC(=O)[C@H]([NH3+])c1ccc(C(F)(F)F)cc1)c1cccs1 ZINC000638048169 717403951 /nfs/dbraw/zinc/40/39/51/717403951.db2.gz BMRRSONMSXSQNU-DZGCQCFKSA-N 2 0 371.428 3.186 20 0 FGADRP CC(C)(C)O[C@@H]1C[C@H]([NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)C12CCC2 ZINC000638669905 717474660 /nfs/dbraw/zinc/47/46/60/717474660.db2.gz XOZUBTFDPFVECA-NZSAHSFTSA-N 2 0 350.547 3.203 20 0 FGADRP O[C@H](C[NH2+]CC1CC[NH+](C2CC2)CC1)COc1ccc(Cl)c(Cl)c1 ZINC000644633666 718136348 /nfs/dbraw/zinc/13/63/48/718136348.db2.gz RBNIQKAQGXCMOG-OAHLLOKOSA-N 2 0 373.324 3.197 20 0 FGADRP C[N@@H+]1CCC[C@H](CC[NH2+]C[C@H](O)COc2ccc(Cl)c(Cl)c2)C1 ZINC000644669072 718140155 /nfs/dbraw/zinc/14/01/55/718140155.db2.gz AKZVQTJFYPGQKL-KGLIPLIRSA-N 2 0 361.313 3.055 20 0 FGADRP Cc1cc(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)cnc1Cl ZINC000780783087 724500847 /nfs/dbraw/zinc/50/08/47/724500847.db2.gz WIRWHIONBPNCRK-UHFFFAOYSA-N 2 0 351.922 3.368 20 0 FGADRP C[C@H](C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)Oc1ccc(Br)cc1 ZINC000647788742 718377844 /nfs/dbraw/zinc/37/78/44/718377844.db2.gz PPQIWCXJEJAVKE-HGTKMLMNSA-N 2 0 353.304 3.194 20 0 FGADRP FC(F)(F)c1ccccc1N1CC[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)C1 ZINC000647795873 718378209 /nfs/dbraw/zinc/37/82/09/718378209.db2.gz YNTAMIQLHBRULD-FPCVCCKLSA-N 2 0 353.432 3.262 20 0 FGADRP O=C(CC[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1)Nc1cc(F)cc(F)c1 ZINC000647978031 718391721 /nfs/dbraw/zinc/39/17/21/718391721.db2.gz LLLDLGNLQCEKJA-GJZGRUSLSA-N 2 0 351.441 3.005 20 0 FGADRP C[C@@H]1C[NH+](CCCC[NH2+]Cc2cc3cc(Cl)cnc3o2)C[C@@H](C)O1 ZINC000648437170 718426823 /nfs/dbraw/zinc/42/68/23/718426823.db2.gz QZDTVKRGPBSIAJ-ZIAGYGMSSA-N 2 0 351.878 3.460 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)[C@@H]([NH3+])c2cccc(Cl)c2)C1 ZINC000649295527 718502398 /nfs/dbraw/zinc/50/23/98/718502398.db2.gz UIUGGZAMVHCXSE-DAYGRLMNSA-N 2 0 351.922 3.214 20 0 FGADRP COc1cc(C[N@@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)cc(Cl)c1OC ZINC000650705363 718716602 /nfs/dbraw/zinc/71/66/02/718716602.db2.gz FKGVDJNUOKZWAV-UXLLHSPISA-N 2 0 368.905 3.076 20 0 FGADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@H+](Cc3ccc(OC(F)(F)F)cc3)C2)C1 ZINC000650706547 718717771 /nfs/dbraw/zinc/71/77/71/718717771.db2.gz NGIWJTARYGSDOU-UXLLHSPISA-N 2 0 358.404 3.304 20 0 FGADRP C[NH2+]Cc1ccccc1C[NH2+]Cc1cc2c(c(Br)c1)OCO2 ZINC000650718421 718719411 /nfs/dbraw/zinc/71/94/11/718719411.db2.gz LPJSJWLNEGLJOJ-UHFFFAOYSA-N 2 0 363.255 3.187 20 0 FGADRP C[C@H](c1nc(-c2cccs2)no1)[N@@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652347788 718934874 /nfs/dbraw/zinc/93/48/74/718934874.db2.gz LTCZYQFQHYVKST-CBBWQLFWSA-N 2 0 362.499 3.077 20 0 FGADRP Cc1oc(-c2ccsc2)nc1C[N@@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652349260 718935245 /nfs/dbraw/zinc/93/52/45/718935245.db2.gz IHUFIZDGMMDCRB-QILLFSRXSA-N 2 0 361.511 3.430 20 0 FGADRP CC(C)CCc1nc(C[N@@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)cs1 ZINC000652348664 718935401 /nfs/dbraw/zinc/93/54/01/718935401.db2.gz MKSJWOTYARXLEQ-XYJFISCASA-N 2 0 351.560 3.450 20 0 FGADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@@H+]2CCOc2ccc(F)cc2Cl)C1 ZINC000652363641 718937237 /nfs/dbraw/zinc/93/72/37/718937237.db2.gz JWYONGVTZRXCBD-QGPMSJSTSA-N 2 0 356.869 3.219 20 0 FGADRP CC(C)C[N@H+](C)CCCNC(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000652611494 718965671 /nfs/dbraw/zinc/96/56/71/718965671.db2.gz KWSSQKSTHLQQQB-UHFFFAOYSA-N 2 0 360.424 3.264 20 0 FGADRP CC(C)(C)[C@H](C[NH3+])NC(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000652613819 718966313 /nfs/dbraw/zinc/96/63/13/718966313.db2.gz DNKAMOABIINARY-KRWDZBQOSA-N 2 0 364.559 3.369 20 0 FGADRP O=C(NC[C@@H]1CCCC[NH2+]1)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000652613617 718966458 /nfs/dbraw/zinc/96/64/58/718966458.db2.gz XLOLYDGGWRMFSX-KRWDZBQOSA-N 2 0 362.543 3.138 20 0 FGADRP Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)[C@@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000653114532 719013632 /nfs/dbraw/zinc/01/36/32/719013632.db2.gz LUQOHWODIDPBGN-OALUTQOASA-N 2 0 359.539 3.013 20 0 FGADRP C[N@@H+]1CC[C@@H](CNC(=O)C[C@@H]2CCC[C@H]2[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000653154456 719018643 /nfs/dbraw/zinc/01/86/43/719018643.db2.gz RZPSXRZHDUPRCP-VBZWBGKMSA-N 2 0 367.896 3.106 20 0 FGADRP COCC[N@H+](C)CCOc1cccc(C[NH2+][C@H]2CC[C@@H](C)SC2)c1 ZINC000655707771 719328060 /nfs/dbraw/zinc/32/80/60/719328060.db2.gz CNPPQEKZZBYPKV-AEFFLSMTSA-N 2 0 352.544 3.017 20 0 FGADRP C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+]CC1([NH3+])CCCC1 ZINC000656789676 719471179 /nfs/dbraw/zinc/47/11/79/719471179.db2.gz VDGLROTVOJCGQN-LBPRGKRZSA-N 2 0 354.292 3.027 20 0 FGADRP FC(F)Oc1ccccc1C[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000657536688 719668031 /nfs/dbraw/zinc/66/80/31/719668031.db2.gz NOKYECZRCGBCBX-UHFFFAOYSA-N 2 0 354.441 3.269 20 0 FGADRP C([NH2+][C@H]1CCC[C@@H]([C@H]2CCOC2)C1)C1CC[NH+](C2CCOCC2)CC1 ZINC000657537400 719668235 /nfs/dbraw/zinc/66/82/35/719668235.db2.gz JTVGIFUNFKEMDM-AABGKKOBSA-N 2 0 350.547 3.062 20 0 FGADRP CC(C)(C)OC(=O)N1CC[C@]2(CC[N@H+](CCC[NH+]3CCCCC3)C2)C1 ZINC000781918671 724612179 /nfs/dbraw/zinc/61/21/79/724612179.db2.gz YRFUBODCSYNBMS-FQEVSTJZSA-N 2 0 351.535 3.195 20 0 FGADRP C[C@@H]1C[NH+](CCCCCCCCC[N@@H+]2CC[C@H](O)[C@H](C)C2)CC[C@@H]1O ZINC000781919973 724612756 /nfs/dbraw/zinc/61/27/56/724612756.db2.gz UDELBJLKNJMSQB-CGXNFDGLSA-N 2 0 354.579 3.123 20 0 FGADRP C[C@@H](Cc1ccc(Cl)c(C(F)(F)F)c1)[NH2+]CCOCC[NH+](C)C ZINC000657987597 719740378 /nfs/dbraw/zinc/74/03/78/719740378.db2.gz QPYSYUYXIPZWNV-LBPRGKRZSA-N 2 0 352.828 3.458 20 0 FGADRP CCCCO[C@H]1C[C@H]([NH2+]CC2CC[NH+](C3CCOCC3)CC2)C1(C)C ZINC000658067668 719750595 /nfs/dbraw/zinc/75/05/95/719750595.db2.gz OVOYWRLTRRKRLO-PMACEKPBSA-N 2 0 352.563 3.451 20 0 FGADRP c1csc(C[N@@H+]2CCOC3(CCN(c4[nH+]ccc5[nH]ccc54)CC3)C2)c1 ZINC001164695727 719886874 /nfs/dbraw/zinc/88/68/74/719886874.db2.gz TVFKGMKDQHWTHT-UHFFFAOYSA-N 2 0 368.506 3.496 20 0 FGADRP CCC[N@H+](C)[C@@H](CNC(=O)N(C)CC(C)(C)[NH3+])c1ccc(Cl)cc1 ZINC000659493308 719920270 /nfs/dbraw/zinc/92/02/70/719920270.db2.gz XYPHQXJCEQZSJP-INIZCTEOSA-N 2 0 354.926 3.102 20 0 FGADRP CC[NH+](CC)CCCN(Cc1ccc(Cl)cc1)C(=O)NCC(C)(C)[NH3+] ZINC000659520399 719922166 /nfs/dbraw/zinc/92/21/66/719922166.db2.gz IXIDHRYRMQUUOU-UHFFFAOYSA-N 2 0 368.953 3.321 20 0 FGADRP CC[NH+](CC)CCN(Cc1ccc(Cl)cc1)C(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000659555384 719925468 /nfs/dbraw/zinc/92/54/68/719925468.db2.gz KVDUYNZSINHZDS-HOTGVXAUSA-N 2 0 368.953 3.319 20 0 FGADRP CO[C@@H](C[NH+]1CCC(N2CC[NH+](C(C)C)CC2)CC1)C1CCCCC1 ZINC000660149564 719997436 /nfs/dbraw/zinc/99/74/36/719997436.db2.gz CTVHWMJYZVQGLU-NRFANRHFSA-N 2 0 351.579 3.072 20 0 FGADRP COCC[N@H+](C)CCCC1CCN(CC[NH+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000660159448 719999321 /nfs/dbraw/zinc/99/93/21/719999321.db2.gz UJEQETVPKCOMSJ-BGYRXZFFSA-N 2 0 353.595 3.035 20 0 FGADRP C[C@H](OC[C@@H](O)C[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1)c1ccc(Cl)cc1 ZINC000660657642 720092967 /nfs/dbraw/zinc/09/29/67/720092967.db2.gz ZAKLTRIATHRCHB-FFZOFVMBSA-N 2 0 366.933 3.196 20 0 FGADRP Brc1ccc([C@H]([NH2+]C[C@H]2CCC3(C[NH2+]C3)O2)C2CCC2)cc1 ZINC000662280063 720408938 /nfs/dbraw/zinc/40/89/38/720408938.db2.gz CAMVVPALJBFGMZ-IAGOWNOFSA-N 2 0 365.315 3.401 20 0 FGADRP C[C@@H](C(=O)NCc1ccc(Cl)cc1)[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662298741 720411936 /nfs/dbraw/zinc/41/19/36/720411936.db2.gz XKHGDKVWCZJHSN-MAUKXSAKSA-N 2 0 363.933 3.056 20 0 FGADRP CSc1ccccc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662299071 720412015 /nfs/dbraw/zinc/41/20/15/720412015.db2.gz ZKKSTISWXRLTQL-NVXWUHKLSA-N 2 0 361.555 3.447 20 0 FGADRP CC[NH+](CC)CCCC1CC[NH+](C[C@@H]2CC(C(=O)OC)=C(C)O2)CC1 ZINC000782536596 724680344 /nfs/dbraw/zinc/68/03/44/724680344.db2.gz PSUQMNAFHRCWTM-SFHVURJKSA-N 2 0 352.519 3.056 20 0 FGADRP CC[NH+](CC)Cc1cccc(CNC(=O)c2cc3c(s2)CC[NH2+]C3)c1 ZINC000662391233 720424394 /nfs/dbraw/zinc/42/43/94/720424394.db2.gz YJDVXAWOYSHART-UHFFFAOYSA-N 2 0 357.523 3.166 20 0 FGADRP Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)C[C@@H](C[NH3+])CC(C)C ZINC000662428531 720427616 /nfs/dbraw/zinc/42/76/16/720427616.db2.gz FDZMYUAURARHAM-SFHVURJKSA-N 2 0 363.571 3.493 20 0 FGADRP CCC[N@H+](C)CC(C)(C)NC(=O)N[C@H](C)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000664627180 720668140 /nfs/dbraw/zinc/66/81/40/720668140.db2.gz USOBDLMDXVLSQW-IAGOWNOFSA-N 2 0 352.567 3.059 20 0 FGADRP CCOc1c(Br)cc(C[NH2+][C@@H]2CCC[NH2+]CC2)cc1OC ZINC000666855419 720991130 /nfs/dbraw/zinc/99/11/30/720991130.db2.gz QXPKJXZWWIOAON-CYBMUJFWSA-N 2 0 357.292 3.088 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)N1CCC(C)([NH3+])CC1)c1ccccc1Cl ZINC000668649518 721325435 /nfs/dbraw/zinc/32/54/35/721325435.db2.gz IQSTXWAXNVMKAR-KRWDZBQOSA-N 2 0 366.937 3.246 20 0 FGADRP [NH3+]C1CCC(NC(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)CC1 ZINC000668678499 721329237 /nfs/dbraw/zinc/32/92/37/721329237.db2.gz YYFYFTKMTOQXLF-JMLCCBQJSA-N 2 0 364.921 3.046 20 0 FGADRP COc1cc[nH+]c(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)c1 ZINC001164906998 721584712 /nfs/dbraw/zinc/58/47/12/721584712.db2.gz QGGHFSYNFZIQFY-IBGZPJMESA-N 2 0 374.435 3.223 20 0 FGADRP C[C@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)c1ccc(F)cc1OC(F)F ZINC000675742739 721771815 /nfs/dbraw/zinc/77/18/15/721771815.db2.gz WKGVCYAHNPHQHA-ZDUSSCGKSA-N 2 0 359.436 3.104 20 0 FGADRP CC(C)[NH+]1CCN(C2CC[NH+](CCO[C@H]3CCCC[C@@H]3C)CC2)CC1 ZINC000677739144 721913446 /nfs/dbraw/zinc/91/34/46/721913446.db2.gz VEYPHVNRGZQMMV-FPOVZHCZSA-N 2 0 351.579 3.072 20 0 FGADRP C[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCCC[NH+]2C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000677842944 721918962 /nfs/dbraw/zinc/91/89/62/721918962.db2.gz OLUSBPSTPITZJG-OLMNPRSZSA-N 2 0 367.896 3.072 20 0 FGADRP CC[NH+]1CCC(C[NH2+][C@H](c2ccc(Cl)cc2)[C@H]2CN(C)CCO2)CC1 ZINC000681053654 722176954 /nfs/dbraw/zinc/17/69/54/722176954.db2.gz ZBIGAFGLGMDPCN-WOJBJXKFSA-N 2 0 365.949 3.033 20 0 FGADRP Fc1cccc(C[N@@H+]2CC[C@@]23CCCN(c2ccc4c(n2)CC[NH2+]C4)C3)c1 ZINC001164995041 722193669 /nfs/dbraw/zinc/19/36/69/722193669.db2.gz RNDDRBZQHKJGBL-JOCHJYFZSA-N 2 0 366.484 3.111 20 0 FGADRP CN(C)CC[NH+]1CCC(C[NH2+]CCCc2c(F)cccc2Cl)CC1 ZINC000683705442 722306074 /nfs/dbraw/zinc/30/60/74/722306074.db2.gz SSJKCIWITKSUPT-UHFFFAOYSA-N 2 0 355.929 3.275 20 0 FGADRP COc1ccc([C@H]([NH2+]CCOCC[NH+](C)C)C(C)C)c(Br)c1 ZINC000685654976 722397146 /nfs/dbraw/zinc/39/71/46/722397146.db2.gz RNAGDLCKDURGCI-QGZVFWFLSA-N 2 0 373.335 3.323 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=S)NCC(C)(C)C[NH+](C)C)C1 ZINC000733753327 722500606 /nfs/dbraw/zinc/50/06/06/722500606.db2.gz KNPSNQFALQEVMJ-QZTJIDSGSA-N 2 0 368.635 3.035 20 0 FGADRP C[N@H+](C[C@@H](O)COc1cc(Cl)ccc1Cl)C[C@@H]1CCC[NH+](C)C1 ZINC000741253400 722543857 /nfs/dbraw/zinc/54/38/57/722543857.db2.gz VUXJCFRXVURJCW-UKRRQHHQSA-N 2 0 361.313 3.007 20 0 FGADRP C[C@@H]1C[C@@H](N(C)C(=O)NCCCCCCC[NH+]2CCCC2)CC[N@@H+]1C ZINC000747957637 722669361 /nfs/dbraw/zinc/66/93/61/722669361.db2.gz VGWPHJBLHZCTKO-MOPGFXCFSA-N 2 0 352.567 3.157 20 0 FGADRP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)NCCCCCCC[NH+]1CCCC1 ZINC000747955689 722669446 /nfs/dbraw/zinc/66/94/46/722669446.db2.gz JRWCOFOLWLPENZ-LJQANCHMSA-N 2 0 352.567 3.016 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=S)Nc1ccc(C)c(C)c1 ZINC000751011939 722790523 /nfs/dbraw/zinc/79/05/23/722790523.db2.gz QLPARPXXDDSCRY-IBGZPJMESA-N 2 0 362.587 3.348 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=S)Nc1ccccc1Cl ZINC000751011277 722790603 /nfs/dbraw/zinc/79/06/03/722790603.db2.gz NOKOXENGNCKSCU-HNNXBMFYSA-N 2 0 368.978 3.385 20 0 FGADRP C[NH+](C)CC1(C[NH2+][C@H]2CCCN(C(=O)OC(C)(C)C)CC2)CCCC1 ZINC000760897318 723102160 /nfs/dbraw/zinc/10/21/60/723102160.db2.gz KEPPFWJMHIKHLD-KRWDZBQOSA-N 2 0 353.551 3.488 20 0 FGADRP C[NH+](C)CCCOc1ccc(C[NH2+][C@@H]2CC[C@@H]3SCCS[C@@H]23)cc1 ZINC000762613956 723262352 /nfs/dbraw/zinc/26/23/52/723262352.db2.gz LHVATTOBIWLSRZ-QYZOEREBSA-N 2 0 366.596 3.486 20 0 FGADRP COc1c(C)cc([C@H](C)[NH2+]CCN2CCC([NH+](C)C)CC2)cc1Cl ZINC000796790893 723655082 /nfs/dbraw/zinc/65/50/82/723655082.db2.gz WDXUFOIZLNNLFY-HNNXBMFYSA-N 2 0 353.938 3.334 20 0 FGADRP COc1c(C)cc([C@H](C)[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)cc1Cl ZINC000796982307 723662303 /nfs/dbraw/zinc/66/23/03/723662303.db2.gz IJPPPGORHCPHRR-HNNXBMFYSA-N 2 0 353.938 3.334 20 0 FGADRP FC(F)C1CC([NH2+]CCCC[NH+]2CCN(Cc3ccccc3)CC2)C1 ZINC000768680439 723665196 /nfs/dbraw/zinc/66/51/96/723665196.db2.gz ZYQWKTANZBWJBZ-UHFFFAOYSA-N 2 0 351.485 3.218 20 0 FGADRP Cc1cc(Br)cn2cc(CNC3C[C@H]4CC[C@@H](C3)[N@H+]4C)nc12 ZINC000774348778 723884460 /nfs/dbraw/zinc/88/44/60/723884460.db2.gz OVJPPPULQVNCMJ-VHRNVKJDSA-N 2 0 363.303 3.120 20 0 FGADRP CC[NH+](CC)Cc1cc([C@@H](C)[NH2+]CCN2CCSCC2)ccc1OC ZINC000775387703 723987837 /nfs/dbraw/zinc/98/78/37/723987837.db2.gz LOJBIWPLHFVYCF-QGZVFWFLSA-N 2 0 365.587 3.236 20 0 FGADRP COc1ccc([C@H](C)[NH2+][C@H](C)CC[S@@](C)=O)cc1C[NH+]1CCCCC1 ZINC000775416886 723989891 /nfs/dbraw/zinc/98/98/91/723989891.db2.gz ZLOMAQOHAJTBIG-LEHBWIKQSA-N 2 0 366.571 3.489 20 0 FGADRP C[NH+]1CCC(C[NH2+]Cc2cnn(-c3ccc(Br)cc3)c2)CC1 ZINC000776173988 724115728 /nfs/dbraw/zinc/11/57/28/724115728.db2.gz URENBZKVZTVCBA-UHFFFAOYSA-N 2 0 363.303 3.066 20 0 FGADRP CC(C)[C@@H](C(=O)OC[C@@]1(F)CC[N@@H+]([C@H](C)c2ccccc2)C1)[NH+](C)C ZINC000802147085 724361439 /nfs/dbraw/zinc/36/14/39/724361439.db2.gz RFBHMICCPDWMPI-IMFGXOCKSA-N 2 0 350.478 3.291 20 0 FGADRP C[C@H]1C[C@H](C)C[NH+](CCCC[NH2+]Cc2cc(Br)nn2C)C1 ZINC000785417987 724911339 /nfs/dbraw/zinc/91/13/39/724911339.db2.gz LYSZACHECYFATI-KBPBESRZSA-N 2 0 357.340 3.030 20 0 FGADRP CC[NH+](CC)Cc1cccc(C[NH2+]Cc2cc(Br)nn2C)c1 ZINC000785425513 724911674 /nfs/dbraw/zinc/91/16/74/724911674.db2.gz FMOVEMKQMQOSRC-UHFFFAOYSA-N 2 0 365.319 3.314 20 0 FGADRP C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1[NH2+]CCC[NH+]1CCCCC1 ZINC000788503593 725068509 /nfs/dbraw/zinc/06/85/09/725068509.db2.gz DOULCDSKSQZEFY-QZTJIDSGSA-N 2 0 353.551 3.488 20 0 FGADRP C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2CCN(C(=O)OC(C)(C)C)C(C)(C)C)C1 ZINC000809766937 725266574 /nfs/dbraw/zinc/26/65/74/725266574.db2.gz CIEIWYLYHJMCOH-SJORKVTESA-N 2 0 353.551 3.438 20 0 FGADRP C[NH+](C)[C@H](CNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1)c1ccc(Cl)cc1 ZINC000810465279 725309353 /nfs/dbraw/zinc/30/93/53/725309353.db2.gz KWAIOOIRIFTGBN-VQIMIIECSA-N 2 0 369.912 3.271 20 0 FGADRP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000811869690 725383537 /nfs/dbraw/zinc/38/35/37/725383537.db2.gz VSINHBCWQLLQFB-QGZVFWFLSA-N 2 0 352.567 3.059 20 0 FGADRP C[NH+](C)CCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ncc[nH]1 ZINC000816902260 727204260 /nfs/dbraw/zinc/20/42/60/727204260.db2.gz MPJRLSYXAVCDSO-UHFFFAOYSA-N 2 0 369.296 3.240 20 0 FGADRP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@@H]2[NH2+][C@@H]1CC[C@@H]2SCCS[C@@H]12 ZINC000817917156 727287732 /nfs/dbraw/zinc/28/77/32/727287732.db2.gz NYUISXMJOICKPD-ZDMKNRLGSA-N 2 0 362.564 3.212 20 0 FGADRP CCOC(=O)C1([C@@H](C)[NH2+][C@@H](C)Cc2ccccc2Cl)CC[NH2+]CC1 ZINC000817908014 727287864 /nfs/dbraw/zinc/28/78/64/727287864.db2.gz LFQCYSNCWPGUHQ-LSDHHAIUSA-N 2 0 352.906 3.182 20 0 FGADRP C[C@H]1CC2(C[N@@H+]1Cc1ccccc1I)CC[NH2+]CC2 ZINC000818431733 727311401 /nfs/dbraw/zinc/31/14/01/727311401.db2.gz RUVCJTLBLUFISE-ZDUSSCGKSA-N 2 0 370.278 3.255 20 0 FGADRP CCC[NH+]1CCC(C[NH2+]C[C@@H](O)c2ccccc2Br)CC1 ZINC000818990895 727335558 /nfs/dbraw/zinc/33/55/58/727335558.db2.gz RNOYXADGUNBQLE-QGZVFWFLSA-N 2 0 355.320 3.194 20 0 FGADRP CCCC[NH+]1CCC([NH2+]C[C@H](O)c2ccc(F)c(Br)c2)CC1 ZINC000819043236 727341502 /nfs/dbraw/zinc/34/15/02/727341502.db2.gz QPTSYTXOHUIMAI-KRWDZBQOSA-N 2 0 373.310 3.476 20 0 FGADRP O[C@@H](C[NH2+]C1CC[NH+](C2CCC2)CC1)c1ccc(F)c(Br)c1 ZINC000819354191 727370467 /nfs/dbraw/zinc/37/04/67/727370467.db2.gz JFBOBQFIZGZVGJ-KRWDZBQOSA-N 2 0 371.294 3.228 20 0 FGADRP C[C@@H]1CC[C@H]([NH2+]CC2CC[NH+](C3CC3)CC2)CN1C(=O)OC(C)(C)C ZINC000822476676 729179349 /nfs/dbraw/zinc/17/93/49/729179349.db2.gz SUSCDURHYGHILI-WBVHZDCISA-N 2 0 351.535 3.238 20 0 FGADRP CSC1(C[NH2+][C@H]2CC[C@H](C)N(C(=O)OC(C)(C)C)C2)CC[NH+](C)CC1 ZINC000822482182 729180099 /nfs/dbraw/zinc/18/00/99/729180099.db2.gz ZDGYITXFPKRCMA-HOTGVXAUSA-N 2 0 371.591 3.191 20 0 FGADRP CC(C)[C@H](CNC(=O)OC(C)(C)C)C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000823489260 729284861 /nfs/dbraw/zinc/28/48/61/729284861.db2.gz CNMGTRYOGRIFDP-RCCFBDPRSA-N 2 0 353.551 3.199 20 0 FGADRP C[C@H]1CN(Cc2cccc(CNCc3ccnc(Cl)c3F)c2)CCO1 ZINC000823709150 729300209 /nfs/dbraw/zinc/30/02/09/729300209.db2.gz LLVDXHPQZOMQLC-AWEZNQCLSA-N 2 0 363.864 3.385 20 0 FGADRP CC(C)(C)OC(=O)NCC1(C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)CC1 ZINC000827950197 729437717 /nfs/dbraw/zinc/43/77/17/729437717.db2.gz QWWDEDZTCXLUQJ-KRWDZBQOSA-N 2 0 351.535 3.003 20 0 FGADRP Cc1cc([C@@H]([NH3+])CC(=O)NCCCCC[NH+]2CCCCC2)cc(Cl)n1 ZINC000829268651 729470630 /nfs/dbraw/zinc/47/06/30/729470630.db2.gz AFBWDLDGKAONAO-KRWDZBQOSA-N 2 0 366.937 3.206 20 0 FGADRP Cc1cc([C@@H]([NH3+])CC(=O)NCCC[NH+](C(C)C)C(C)C)cc(Cl)n1 ZINC000830944288 729604648 /nfs/dbraw/zinc/60/46/48/729604648.db2.gz YXIUFBXFWUTYAD-INIZCTEOSA-N 2 0 354.926 3.058 20 0 FGADRP C[C@@H]1C[C@@H](C[NH2+]CCCC[N@H+](C)C2CC2)CCN1C(=O)OC(C)(C)C ZINC000835063125 729854701 /nfs/dbraw/zinc/85/47/01/729854701.db2.gz HJNGQSZXNCYIEM-SJORKVTESA-N 2 0 353.551 3.486 20 0 FGADRP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2CCOc1cc(F)cc(Br)c1 ZINC000843360216 730610322 /nfs/dbraw/zinc/61/03/22/730610322.db2.gz HABXFPBVFSUIBE-GOOCMWNKSA-N 2 0 357.267 3.311 20 0 FGADRP CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000843364217 730610949 /nfs/dbraw/zinc/61/09/49/730610949.db2.gz SCRGDWGRDIPHCT-UHFFFAOYSA-N 2 0 370.324 3.027 20 0 FGADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@@H]2C[C@@H](C)CN(C(=O)OC(C)(C)C)C2)C1 ZINC000843399560 730614973 /nfs/dbraw/zinc/61/49/73/730614973.db2.gz KYYOJDWVIUMLJM-KZNAEPCWSA-N 2 0 353.551 3.342 20 0 FGADRP C[NH+](C)CCCNC(=S)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000844587423 730738935 /nfs/dbraw/zinc/73/89/35/730738935.db2.gz NWUPCNJSEVXDEY-UHFFFAOYSA-N 2 0 366.600 3.113 20 0 FGADRP CC1CC[NH+](CCC[NH2+]C2CC(CCNC(=O)OC(C)(C)C)C2)CC1 ZINC000845920753 730909614 /nfs/dbraw/zinc/90/96/14/730909614.db2.gz KYLGWKCTEUAEAO-UHFFFAOYSA-N 2 0 353.551 3.391 20 0 FGADRP CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]([NH2+]CC2CC[NH+](C3CC3)CC2)C1 ZINC000848548798 731179714 /nfs/dbraw/zinc/17/97/14/731179714.db2.gz FWYNAGVCCJJTEW-IAGOWNOFSA-N 2 0 351.535 3.286 20 0 FGADRP C[C@@H](CNC(=[NH2+])NCc1cccc(C(F)(F)F)c1)[NH+]1CCC(C)CC1 ZINC000849090909 731228068 /nfs/dbraw/zinc/22/80/68/731228068.db2.gz QPLBLXYPMONFNU-AWEZNQCLSA-N 2 0 356.436 3.440 20 0 FGADRP Cc1ccccc1SC[C@@H](C)C[NH+]1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000859193231 732288256 /nfs/dbraw/zinc/28/82/56/732288256.db2.gz RZARSUCNDPAYPE-AZUAARDMSA-N 2 0 361.599 3.435 20 0 FGADRP C[NH+](C)Cc1ccc(C[N@H+](C)C[C@H](O)COc2ccccc2Cl)cc1 ZINC000859214148 732291159 /nfs/dbraw/zinc/29/11/59/732291159.db2.gz MSRAWVZDXQXXHG-SFHVURJKSA-N 2 0 362.901 3.273 20 0 FGADRP C[NH+](C)CCCOc1ccc(C[NH2+]Cc2cnc(Cl)c(F)c2)cc1 ZINC000865447073 733202896 /nfs/dbraw/zinc/20/28/96/733202896.db2.gz LKJRLQGQHYTRNA-UHFFFAOYSA-N 2 0 351.853 3.494 20 0 FGADRP C[C@@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000865819078 733274975 /nfs/dbraw/zinc/27/49/75/733274975.db2.gz BCYNYZHGTIVKPN-NJAFHUGGSA-N 2 0 351.535 3.238 20 0 FGADRP C[NH+](C)CCCC[NH2+][C@@H](c1cccc(Br)c1)[C@H]1CCOC1 ZINC000872028575 735578377 /nfs/dbraw/zinc/57/83/77/735578377.db2.gz KQGNCMBZJLEZQO-RDJZCZTQSA-N 2 0 355.320 3.458 20 0 FGADRP C[N@@H+]1CCC[C@H](C[NH2+][C@@H](c2cccc(Br)c2)[C@@H]2CCOC2)C1 ZINC000872035134 735579735 /nfs/dbraw/zinc/57/97/35/735579735.db2.gz LODUDFDKYDGEHP-KYJSFNMBSA-N 2 0 367.331 3.458 20 0 FGADRP C[NH+](C)C1(C)CCC([NH2+]C[C@H](O)COCc2ccccc2Cl)CC1 ZINC000872229986 735605534 /nfs/dbraw/zinc/60/55/34/735605534.db2.gz UQIXCDLULHCMKW-HFCFLWKCSA-N 2 0 354.922 3.070 20 0 FGADRP C[NH+](C)C1(C)CCC([NH2+]C[C@@H](O)c2ccc(Br)cc2)CC1 ZINC000872228546 735605609 /nfs/dbraw/zinc/60/56/09/735605609.db2.gz JNRHAXJYDZQESM-AQFXKWCLSA-N 2 0 355.320 3.335 20 0 FGADRP c1cc2c(cccc2N2CC[NH+](Cc3cc4c(s3)CC[NH2+]C4)CC2)[nH]1 ZINC000873213073 735738486 /nfs/dbraw/zinc/73/84/86/735738486.db2.gz WJRMLHNIMJZDOQ-UHFFFAOYSA-N 2 0 352.507 3.197 20 0 FGADRP COc1cc(F)c([C@H](C)[NH2+]Cc2cc3c(s2)CC[NH2+]C3)cc1OC ZINC000873213372 735739291 /nfs/dbraw/zinc/73/92/91/735739291.db2.gz WTOLDKLNEJGKMS-NSHDSACASA-N 2 0 350.459 3.401 20 0 FGADRP C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+][C@H](C)C1CC[NH2+]CC1 ZINC000873221166 735739591 /nfs/dbraw/zinc/73/95/91/735739591.db2.gz NYYUJDZXWFPITD-HUUCEWRRSA-N 2 0 351.922 3.055 20 0 FGADRP C[C@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[NH2+]C[C@H]1C[C@H]([NH3+])C1 ZINC000873256809 735744021 /nfs/dbraw/zinc/74/40/21/735744021.db2.gz ORVJUHIHSDLVHZ-CKYFFXLPSA-N 2 0 363.811 3.403 20 0 FGADRP Cc1ccc(OC(F)F)c([C@H](C)[NH2+]C[C@H]2CC3(CO2)CC[NH2+]CC3)c1 ZINC000873288716 735746587 /nfs/dbraw/zinc/74/65/87/735746587.db2.gz AUEXBAMWBWLUSI-LSDHHAIUSA-N 2 0 354.441 3.406 20 0 FGADRP CC(C)[NH+]1CCC(N(C)C(=O)[C@H]([NH3+])c2cccc(C(F)(F)F)c2)CC1 ZINC000876718265 736135592 /nfs/dbraw/zinc/13/55/92/736135592.db2.gz QWBYCIXSXPPDQA-MRXNPFEDSA-N 2 0 357.420 3.036 20 0 FGADRP Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)/C=C\[C@@H]1CCC[NH2+]C1 ZINC000876743794 736139061 /nfs/dbraw/zinc/13/90/61/736139061.db2.gz MEFPAUIDMIKMIA-TUYSUELWSA-N 2 0 359.539 3.038 20 0 FGADRP C[NH+](C)C1(C)CCC([NH2+]C[C@]2(C)CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000877711289 736709172 /nfs/dbraw/zinc/70/91/72/736709172.db2.gz CDUWSAJSWFMKCY-AJPWXKBRSA-N 2 0 353.551 3.486 20 0 FGADRP Cn1nc(C(F)(F)F)c(C[NH2+]C2CCC(C)([NH+](C)C)CC2)c1Cl ZINC000877711619 736709323 /nfs/dbraw/zinc/70/93/23/736709323.db2.gz RMCBLEYZBXFAKA-UHFFFAOYSA-N 2 0 352.832 3.445 20 0 FGADRP CC1CC[NH+](C[C@H]2CCC[N@H+](C[C@H]3CC4(CO3)CCOCC4)C2)CC1 ZINC000878018399 736758929 /nfs/dbraw/zinc/75/89/29/736758929.db2.gz VTKNJJMWHWEAMZ-WOJBJXKFSA-N 2 0 350.547 3.016 20 0 FGADRP C[C@@H]([NH2+]CC(=O)NC1CC[NH+](C)CC1)c1ccc(Cl)c2ccccc21 ZINC000878436389 736834262 /nfs/dbraw/zinc/83/42/62/736834262.db2.gz JADBRQJZUHVOPG-CQSZACIVSA-N 2 0 359.901 3.354 20 0 FGADRP C[NH+]1CCC2(CC[N@H+](C[C@H](O)c3ccc(F)c(Br)c3)C2)CC1 ZINC000878867323 736927354 /nfs/dbraw/zinc/92/73/54/736927354.db2.gz RUCBUUUYPOSNMQ-INIZCTEOSA-N 2 0 371.294 3.039 20 0 FGADRP CC(C)(C)OC(=O)N1CCC(C[NH+]2CCC(C)([NH+]3CCC3)CC2)CC1 ZINC000880472760 737178366 /nfs/dbraw/zinc/17/83/66/737178366.db2.gz BFWKVHLYPQVGJW-UHFFFAOYSA-N 2 0 351.535 3.194 20 0 FGADRP C([NH2+][C@H]1CCOC2(CCCCC2)C1)C1CC[NH+](C2CCOCC2)CC1 ZINC000886155561 739224398 /nfs/dbraw/zinc/22/43/98/739224398.db2.gz IOSBOCQSYTYPBY-IBGZPJMESA-N 2 0 350.547 3.349 20 0 FGADRP CC[NH+](CC)Cc1cccc(C[NH2+][C@H]2CCC3(C[C@@H]2F)OCCO3)c1 ZINC000892613142 740023036 /nfs/dbraw/zinc/02/30/36/740023036.db2.gz QMOMMFNGXSTGQG-OALUTQOASA-N 2 0 350.478 3.252 20 0 FGADRP CC[NH+](CC)Cc1cccc(C[NH2+][C@H]2CCC3(C[C@H]2F)OCCO3)c1 ZINC000892613141 740023164 /nfs/dbraw/zinc/02/31/64/740023164.db2.gz QMOMMFNGXSTGQG-MOPGFXCFSA-N 2 0 350.478 3.252 20 0 FGADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H](CC(F)F)NC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000894050850 742231733 /nfs/dbraw/zinc/23/17/33/742231733.db2.gz VAMTVIBATGAGTH-ILXRZTDVSA-N 2 0 363.493 3.197 20 0 FGADRP C[NH+](C)C1CCN(CC[NH2+]Cc2cc3ccnc(Cl)c3s2)CC1 ZINC000894399237 742278140 /nfs/dbraw/zinc/27/81/40/742278140.db2.gz YLMWTCUCEKAHCM-UHFFFAOYSA-N 2 0 352.935 3.065 20 0 FGADRP CCCSC[C@@H](C)[NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000894936363 742354735 /nfs/dbraw/zinc/35/47/35/742354735.db2.gz GYBBMCIBKGWKFY-MRXNPFEDSA-N 2 0 363.571 3.005 20 0 FGADRP C[C@H](C[N@H+](C)CCCC[NH+]1CCCCC1)c1ccc(S(C)(=O)=O)cc1 ZINC000895682480 742439402 /nfs/dbraw/zinc/43/94/02/742439402.db2.gz FBBDLTKEZXMHPA-GOSISDBHSA-N 2 0 366.571 3.392 20 0 FGADRP CCC[C@@H]([NH2+][C@@H]1CC[NH2+]CC(C)(C)C1)C(=O)N1CCc2sccc2C1 ZINC000902346973 743734726 /nfs/dbraw/zinc/73/47/26/743734726.db2.gz NSABPPSYDZKEHX-IAGOWNOFSA-N 2 0 363.571 3.169 20 0 FGADRP CCNC(=O)C1(C[NH2+][C@@H](CCCC[NH3+])c2ccc(F)cc2F)CCC1 ZINC000902378422 743738822 /nfs/dbraw/zinc/73/88/22/743738822.db2.gz ZPVUHVUJQKUMLG-KRWDZBQOSA-N 2 0 353.457 3.031 20 0 FGADRP COC[C@@H](CCC[NH3+])[NH2+]CCc1cc(Br)ccc1SC ZINC000902432124 743743068 /nfs/dbraw/zinc/74/30/68/743743068.db2.gz VGQWKTYMSNIFDG-CQSZACIVSA-N 2 0 361.349 3.057 20 0 FGADRP CC(C)C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)C1CCOCC1 ZINC000902880676 743783646 /nfs/dbraw/zinc/78/36/46/743783646.db2.gz LITWQPYBZOXFJM-PWRODBHTSA-N 2 0 352.563 3.185 20 0 FGADRP COc1ccc2c(c1Cl)[C@@H]([NH2+]CCCC[NH+]1CCN(C)CC1)CCC2 ZINC000903065518 743801310 /nfs/dbraw/zinc/80/13/10/743801310.db2.gz HYYLGBYKHCZGMQ-KRWDZBQOSA-N 2 0 365.949 3.343 20 0 FGADRP CC(C)[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)NC(=O)OC(C)(C)C ZINC000903097248 743804269 /nfs/dbraw/zinc/80/42/69/743804269.db2.gz DWIHINNEGIGQLZ-NXCDMZCRSA-N 2 0 351.535 3.283 20 0 FGADRP [NH3+][C@H]1CCO[C@@H](C2CC[NH+](C[C@@H]3[C@@H](c4ccccc4)C3(F)F)CC2)C1 ZINC000903460185 743853322 /nfs/dbraw/zinc/85/33/22/743853322.db2.gz ZJSOBZAGBCVSLS-WJFTUGDTSA-N 2 0 350.453 3.254 20 0 FGADRP FC(F)(F)c1cccc([C@@H]2CC[N@H+](C[C@H]3C[C@@]4(CC[NH2+]C4)CO3)C2)c1 ZINC000903756611 743881031 /nfs/dbraw/zinc/88/10/31/743881031.db2.gz UDQQIPXDIVBOCW-KBAYOESNSA-N 2 0 354.416 3.263 20 0 FGADRP Cc1nc(C(C)C)sc1[C@H](C)[N@H+](C)C[C@H](C[NH3+])Cc1cnn(C)c1C ZINC000903897752 743893584 /nfs/dbraw/zinc/89/35/84/743893584.db2.gz JKOOSYAKHUZIDN-HOTGVXAUSA-N 2 0 363.575 3.427 20 0 FGADRP C[C@H]1C[N@H+](Cc2cnnn2[C@H]2CCC[NH2+]C2)CCc2ccc(Cl)cc21 ZINC000903932833 743900239 /nfs/dbraw/zinc/90/02/39/743900239.db2.gz WECAQIZCLFNTDQ-YOEHRIQHSA-N 2 0 359.905 3.018 20 0 FGADRP CCOc1cc(C[N@@H+]2CC[C@@H](CC[NH3+])C2)cc(Br)c1OC ZINC000904411269 743953089 /nfs/dbraw/zinc/95/30/89/743953089.db2.gz TUKDIYFRDKCFKZ-GFCCVEGCSA-N 2 0 357.292 3.027 20 0 FGADRP CN(CC(C)(C)C[NH+](C)C)C(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000904512257 743959316 /nfs/dbraw/zinc/95/93/16/743959316.db2.gz XHZXEFOUSIDTQK-UHFFFAOYSA-N 2 0 360.424 3.216 20 0 FGADRP CSc1ccc([C@H](CNC(=O)Nc2ccccc2C[NH3+])[NH+](C)C)cc1 ZINC000904634210 743965738 /nfs/dbraw/zinc/96/57/38/743965738.db2.gz PCOHISSCPSYBBO-SFHVURJKSA-N 2 0 358.511 3.292 20 0 FGADRP CC1([NH+]2CCCC2)CCC([NH2+]C[C@@H](O)COCc2cccs2)CC1 ZINC000905534459 744030974 /nfs/dbraw/zinc/03/09/74/744030974.db2.gz QNPSCXPRZLIVFU-TVRKMHQQSA-N 2 0 352.544 3.012 20 0 FGADRP CC(C)[C@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1ccc(C(F)(F)F)s1)C2 ZINC000922388177 758910118 /nfs/dbraw/zinc/91/01/18/758910118.db2.gz CMNHMBNXFCFXBV-XOUADPBQSA-N 2 0 362.461 3.336 20 0 FGADRP CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3ncc(C(C)(C)C)s3)C2)[C@H]1C(C)C ZINC000922392351 758912540 /nfs/dbraw/zinc/91/25/40/758912540.db2.gz DCBKLCQZQBCAEQ-CWLMSFPYSA-N 2 0 365.587 3.400 20 0 FGADRP O[C@H](C[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1)c1ccc(Cl)cc1Cl ZINC000923408224 759113124 /nfs/dbraw/zinc/11/31/24/759113124.db2.gz BLWHRXYEPGTAEE-CRAIPNDOSA-N 2 0 373.324 3.117 20 0 FGADRP [NH3+]C[C@@H]1CC2(CO1)CC[NH+](Cc1csc(-c3ccccc3F)n1)CC2 ZINC000923450408 759120814 /nfs/dbraw/zinc/12/08/14/759120814.db2.gz HDCLKEGLCOUSFY-HNNXBMFYSA-N 2 0 361.486 3.279 20 0 FGADRP C[C@@H]1C[N@H+](Cc2nc(-c3ccc(C(F)(F)F)cc3)no2)CC[C@H]1C[NH3+] ZINC000923499976 759133257 /nfs/dbraw/zinc/13/32/57/759133257.db2.gz PIQWNJYFOBUYFP-YPMHNXCESA-N 2 0 354.376 3.172 20 0 FGADRP CC1(C)C[C@@H]([NH2+]C2CCN(Cc3ccc(F)c(F)c3)CC2)C[C@@H]([NH3+])C1 ZINC000925475513 759494397 /nfs/dbraw/zinc/49/43/97/759494397.db2.gz UUKFPVKRCXWHIM-WBVHZDCISA-N 2 0 351.485 3.425 20 0 FGADRP CCc1nc(CN2CCC(C[NH2+][C@@H]3C[C@@H]([NH3+])CC(C)(C)C3)CC2)cs1 ZINC000925573953 759507204 /nfs/dbraw/zinc/50/72/04/759507204.db2.gz QTVKYGCRFGHCPE-IAGOWNOFSA-N 2 0 364.603 3.413 20 0 FGADRP CCS(=O)(=O)c1ccc(C[NH2+][C@@H](CCC[NH3+])c2ccccc2)s1 ZINC000925654953 759518714 /nfs/dbraw/zinc/51/87/14/759518714.db2.gz SMVWLMFEXRJMQB-INIZCTEOSA-N 2 0 352.525 3.112 20 0 FGADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]Cc1ccc2ccc(Br)cc2c1 ZINC000925732472 759527022 /nfs/dbraw/zinc/52/70/22/759527022.db2.gz BRPBPWKAVVYAII-IGNZVWTISA-N 2 0 363.299 3.444 20 0 FGADRP C[C@@H]1[C@H](N2CCc3sc(C[NH3+])nc3C2)CCC[N@@H+]1Cc1ccccc1 ZINC000925750888 759531827 /nfs/dbraw/zinc/53/18/27/759531827.db2.gz VZJSFCSZLHRFKO-CRAIPNDOSA-N 2 0 356.539 3.013 20 0 FGADRP C[C@@H]([NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1cc(Cl)ccc1Cl ZINC000925854413 759559302 /nfs/dbraw/zinc/55/93/02/759559302.db2.gz LTBXJAGKHUMHHC-YPMHNXCESA-N 2 0 357.281 3.329 20 0 FGADRP C[C@@H](Cc1c(Cl)cccc1Cl)[NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925855312 759560650 /nfs/dbraw/zinc/56/06/50/759560650.db2.gz UEZLTFJUQRIZTM-STQMWFEESA-N 2 0 371.308 3.199 20 0 FGADRP C[C@@H]([NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1cccc(C(F)(F)F)c1 ZINC000925857134 759561563 /nfs/dbraw/zinc/56/15/63/759561563.db2.gz ROPGGSNTMNOBJB-DOMZBBRYSA-N 2 0 356.388 3.041 20 0 FGADRP CCCC[N@H+](C)CC1CC[NH+](Cc2cc(=O)n3cc(C)sc3n2)CC1 ZINC000929294228 760355177 /nfs/dbraw/zinc/35/51/77/760355177.db2.gz CLAWCZHUINCASK-UHFFFAOYSA-N 2 0 362.543 3.008 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](C[C@H](O)CCC2(O)CCC2)CC1 ZINC000929841088 760468499 /nfs/dbraw/zinc/46/84/99/760468499.db2.gz KBJFDBKFBPSICY-UYAOXDASSA-N 2 0 352.563 3.019 20 0 FGADRP OCC1([NH2+]CC2CC2)CCN(C[C@@H]2CCC3(CCCCCC3)O2)CC1 ZINC000930672558 760667585 /nfs/dbraw/zinc/66/75/85/760667585.db2.gz AROWBMVGQBXGRK-IBGZPJMESA-N 2 0 350.547 3.085 20 0 FGADRP C[C@@H]1[C@H](C(=O)N2CCC([C@@H]3CCC[NH+](C/C=C/Cl)C3)CC2)CC[N@@H+]1C ZINC000961373273 762747372 /nfs/dbraw/zinc/74/73/72/762747372.db2.gz NMFNAEPXAOTCIG-ZYVNMVKGSA-N 2 0 367.965 3.030 20 0 FGADRP Cc1cc(Cl)ccc1C[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000971560738 762912912 /nfs/dbraw/zinc/91/29/12/762912912.db2.gz JJWVFOSHDXSAMW-AYOQOUSVSA-N 2 0 363.933 3.021 20 0 FGADRP Cc1cccc(Cl)c1CN1CCC[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001007375637 765590554 /nfs/dbraw/zinc/59/05/54/765590554.db2.gz FLPOPQHVSLHOJR-BRWVUGGUSA-N 2 0 363.933 3.069 20 0 FGADRP C[C@@H]1[C@H](C(=O)N2CCCC[C@@H]2C[NH2+]Cc2sccc2Cl)CC[N@@H+]1C ZINC001024967509 766064504 /nfs/dbraw/zinc/06/45/04/766064504.db2.gz SHSSMXXZYQZBBN-RBSFLKMASA-N 2 0 369.962 3.212 20 0 FGADRP C[C@@H]1[C@H](C(=O)NC2CCC([NH2+]Cc3sccc3Cl)CC2)CC[N@@H+]1C ZINC001026495969 766074203 /nfs/dbraw/zinc/07/42/03/766074203.db2.gz BTULLGFGWADBJW-XSCHDIRWSA-N 2 0 369.962 3.259 20 0 FGADRP C[C@@H]1[C@H](C(=O)NC2CCC([NH2+]Cc3ccccc3Cl)CC2)CC[N@@H+]1C ZINC001026496156 766075023 /nfs/dbraw/zinc/07/50/23/766075023.db2.gz OBLPXIKZDTWCCQ-AGERRDQYSA-N 2 0 363.933 3.197 20 0 FGADRP Cc1cc(C[NH+](C)[C@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)c(C)s1 ZINC001027416242 766092825 /nfs/dbraw/zinc/09/28/25/766092825.db2.gz CGZKJZUDNADTFJ-AYOQOUSVSA-N 2 0 363.571 3.128 20 0 FGADRP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CC[NH+](Cc3ccc(Cl)s3)C2)CC[N@@H+]1C ZINC001028551113 766123026 /nfs/dbraw/zinc/12/30/26/766123026.db2.gz HNNYTKBJLAWLFI-CWRNSKLLSA-N 2 0 369.962 3.070 20 0 FGADRP Cc1nnc(N2CCC([NH2+]CCCCC[NH+]3CCCCC3)CC2)s1 ZINC000359995156 203900512 /nfs/dbraw/zinc/90/05/12/203900512.db2.gz COOZVAJOLHLQDF-UHFFFAOYSA-N 2 0 351.564 3.061 20 0 FGADRP CC[C@@H]([NH2+]CCCN1CC[NH+](C)CC1)c1ccc(Br)cc1 ZINC000020567381 257333242 /nfs/dbraw/zinc/33/32/42/257333242.db2.gz CRGLKEQGKAINJW-QGZVFWFLSA-N 2 0 354.336 3.127 20 0 FGADRP Cn1ccnc1CN1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000102514153 257351099 /nfs/dbraw/zinc/35/10/99/257351099.db2.gz TUOXRXIKAHTMMM-UHFFFAOYSA-N 2 0 352.404 3.147 20 0 FGADRP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+][C@H](C)c2cccc(NS(C)(=O)=O)c2)C1 ZINC000540147685 503690323 /nfs/dbraw/zinc/69/03/23/503690323.db2.gz ORCBSOHUANVYMH-SJORKVTESA-N 2 0 367.559 3.077 20 0 FGADRP C[C@H](NC(=O)CN1CC[C@@]2(C1)CCC[NH2+]C2)c1cccc2ccccc21 ZINC000576704601 505574929 /nfs/dbraw/zinc/57/49/29/505574929.db2.gz XDZHKNILQGIILO-JTSKRJEESA-N 2 0 351.494 3.093 20 0 FGADRP c1ccc2c(c1)O[C@H](C[NH2+][C@@H]1C[C@]3(CC[NH2+]C3)Oc3ccccc31)CS2 ZINC000570843787 505593096 /nfs/dbraw/zinc/59/30/96/505593096.db2.gz TYSRXJGZBBOBKY-CEQIKUNHSA-N 2 0 368.502 3.385 20 0 FGADRP O[C@H](C[NH2+]CC(Cc1ccccc1)Cc1ccccc1)C[NH+]1CCCC1 ZINC000576794836 505595627 /nfs/dbraw/zinc/59/56/27/505595627.db2.gz ISXOJAISRLZTFR-HSZRJFAPSA-N 2 0 352.522 3.134 20 0 FGADRP C[NH+](C)CCCN(CCC[NH+](C)C)Cc1sccc1Br ZINC000573726293 505604546 /nfs/dbraw/zinc/60/45/46/505604546.db2.gz ULSZIITWGLCCNO-UHFFFAOYSA-N 2 0 362.381 3.216 20 0 FGADRP CC(C)C[NH+]1CCC([NH2+]C[C@@H](O)Cc2ccccc2C(F)(F)F)CC1 ZINC000576863273 505611636 /nfs/dbraw/zinc/61/16/36/505611636.db2.gz JBQPPHOBHDUDIS-KRWDZBQOSA-N 2 0 358.448 3.319 20 0 FGADRP C[NH+](C)CCCCC(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000576929931 505626790 /nfs/dbraw/zinc/62/67/90/505626790.db2.gz MNDLKGJKXJXCTM-GOSISDBHSA-N 2 0 351.922 3.325 20 0 FGADRP C[C@@H]1C[C@H]([NH2+]CCCC[NH+]2CCN(Cc3ccccc3)CC2)C[C@H](C)O1 ZINC000576935278 505628179 /nfs/dbraw/zinc/62/81/79/505628179.db2.gz VHJBIWGSUCDNBN-XVAYZXCPSA-N 2 0 359.558 3.130 20 0 FGADRP C[C@H]([NH2+]C(C)(C)CNC(=O)[C@H]1C[NH2+]Cc2ccccc21)c1ccccc1 ZINC000579828737 505628731 /nfs/dbraw/zinc/62/87/31/505628731.db2.gz NLDGVMDBWFVLJK-JXFKEZNVSA-N 2 0 351.494 3.119 20 0 FGADRP CCN(C(=O)[C@H](C)Cc1c[nH]cn1)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000568189400 505639100 /nfs/dbraw/zinc/63/91/00/505639100.db2.gz GRLKINYXXXXFAC-UWVAXJGDSA-N 2 0 354.498 3.272 20 0 FGADRP c1cncc(COc2ccc(C[NH+]3CCC([C@@H]4CC[NH2+]C4)CC3)cc2)c1 ZINC000571046459 505640966 /nfs/dbraw/zinc/64/09/66/505640966.db2.gz HRHYRLXVXIFQKY-OAQYLSRUSA-N 2 0 351.494 3.482 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N2CCC(CC[NH3+])CC2)cc1 ZINC000577069797 505658218 /nfs/dbraw/zinc/65/82/18/505658218.db2.gz VOKNNVVCCGHWIZ-GOSISDBHSA-N 2 0 372.557 3.331 20 0 FGADRP C[C@@H]1[C@H](NC(=O)N2CCCC[C@@H]2c2ncc[nH]2)CC[N@@H+]1Cc1ccccc1 ZINC000573949754 505658693 /nfs/dbraw/zinc/65/86/93/505658693.db2.gz AUBVZJCXQVVPBR-BHIYHBOVSA-N 2 0 367.497 3.309 20 0 FGADRP CC[NH+](CC)CC1CC[NH+](CC(=O)N(C)[C@H](C)c2ccc(F)cc2)CC1 ZINC000047978193 493768155 /nfs/dbraw/zinc/76/81/55/493768155.db2.gz JFBLFHQGBMKOJF-QGZVFWFLSA-N 2 0 363.521 3.399 20 0 FGADRP Cc1ccc(F)c(C[NH2+]Cc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)c1 ZINC000076331163 493866521 /nfs/dbraw/zinc/86/65/21/493866521.db2.gz NOTOLDMGESROSX-UHFFFAOYSA-N 2 0 369.484 3.250 20 0 FGADRP C[NH+](C)[C@H](CNC(=O)[C@H]1CCC[N@@H+]1Cc1ccccc1)c1ccsc1 ZINC000050029699 493892866 /nfs/dbraw/zinc/89/28/66/493892866.db2.gz PQBLHAJPSWWISD-RTBURBONSA-N 2 0 357.523 3.132 20 0 FGADRP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+](C)CC1CCCC1 ZINC000060211365 493918603 /nfs/dbraw/zinc/91/86/03/493918603.db2.gz CVBDRSKZWLDSEP-GOSISDBHSA-N 2 0 357.542 3.278 20 0 FGADRP C[C@H]1C[NH+](CC2CC[NH+](CCOc3cccc(F)c3)CC2)C[C@H](C)O1 ZINC000060368503 493927689 /nfs/dbraw/zinc/92/76/89/493927689.db2.gz OBKWKRLFZVBWAI-IRXDYDNUSA-N 2 0 350.478 3.026 20 0 FGADRP CC(C)[N@@H+]1CCCN(C(=O)NC[C@H]2CCC[NH+](Cc3ccccc3)C2)CC1 ZINC000069820492 494017265 /nfs/dbraw/zinc/01/72/65/494017265.db2.gz CLJQHSGWXHJLIW-OAQYLSRUSA-N 2 0 372.557 3.024 20 0 FGADRP COc1ccc(-c2nc(C[NH+]3CCC([C@@H]4C[C@@H]([NH3+])CCO4)CC3)co2)cc1 ZINC000580174879 505695548 /nfs/dbraw/zinc/69/55/48/505695548.db2.gz SZYIMEQSWVHCHZ-PXNSSMCTSA-N 2 0 371.481 3.069 20 0 FGADRP c1cn(C2CC[NH+](CCCCC[NH+]3CCC(n4ccnc4)CC3)CC2)cn1 ZINC000077285453 494048761 /nfs/dbraw/zinc/04/87/61/494048761.db2.gz QJZOSACQSOVYEF-UHFFFAOYSA-N 2 0 370.545 3.224 20 0 FGADRP C[NH+](C)CCOc1ccc(NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)cc1 ZINC000063647815 494073767 /nfs/dbraw/zinc/07/37/67/494073767.db2.gz ANNDSJRBTNVBDC-NRFANRHFSA-N 2 0 367.493 3.230 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)c2cccc(C[NH+]3CCCC3)c2)C1 ZINC000063831096 494092256 /nfs/dbraw/zinc/09/22/56/494092256.db2.gz BAHRIFCVGZCNBU-KDURUIRLSA-N 2 0 357.542 3.380 20 0 FGADRP CC[N@H+](C)Cc1cccc(CNC(=O)N2CCC(CC[NH+](C)C)CC2)c1 ZINC000064229299 494107539 /nfs/dbraw/zinc/10/75/39/494107539.db2.gz JUULZPAVNCALGV-UHFFFAOYSA-N 2 0 360.546 3.012 20 0 FGADRP Cc1ccc([C@H](CNC(=O)N[C@H](C)C(C)(C)C[NH+](C)C)[NH+]2CCCC2)o1 ZINC000085360257 494116757 /nfs/dbraw/zinc/11/67/57/494116757.db2.gz GFIBGGDLMYYRMH-SJORKVTESA-N 2 0 364.534 3.000 20 0 FGADRP C[C@H](CNC(=O)N1CCC[N@H+](Cc2ccccc2)C[C@@H]1C)C[NH+]1CCCC1 ZINC000077780504 494175871 /nfs/dbraw/zinc/17/58/71/494175871.db2.gz XJELSTSHGXOUNL-UXHICEINSA-N 2 0 372.557 3.024 20 0 FGADRP Cc1nc(C[NH+]2CCC(CC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)sc1C ZINC000088603766 494252007 /nfs/dbraw/zinc/25/20/07/494252007.db2.gz CLAWTOCQJKQOOO-GJZGRUSLSA-N 2 0 351.560 3.471 20 0 FGADRP CC[NH+]1CCC(NC(=O)C[N@H+](C2CC2)[C@@H]2CCCc3ccccc32)CC1 ZINC000089116922 494267189 /nfs/dbraw/zinc/26/71/89/494267189.db2.gz YAOFHPMDYDKFQH-OAQYLSRUSA-N 2 0 355.526 3.129 20 0 FGADRP CCC[NH+]1CCC(N(C)C(=O)NC[C@@H](CC(C)C)[NH+](CC)CC)CC1 ZINC000066176896 494283878 /nfs/dbraw/zinc/28/38/78/494283878.db2.gz BOWWRZGIBROJQX-LJQANCHMSA-N 2 0 354.583 3.259 20 0 FGADRP CC[N@H+](C)[C@@H](C(=O)NC[C@@H](c1ccc(C)cc1)[NH+](C)C)c1ccccc1 ZINC000078402373 494292358 /nfs/dbraw/zinc/29/23/58/494292358.db2.gz QZOXDRNAORCICP-LEWJYISDSA-N 2 0 353.510 3.407 20 0 FGADRP Cc1ccccc1C[NH+]1CCC(NC(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC000072973083 494295734 /nfs/dbraw/zinc/29/57/34/494295734.db2.gz QYKCTZFTHWJBLE-UHFFFAOYSA-N 2 0 357.542 3.196 20 0 FGADRP Cc1ccc(Br)cc1NC(=O)CC[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000089640398 494336151 /nfs/dbraw/zinc/33/61/51/494336151.db2.gz JBSITVWKCCKCQY-ZFWWWQNUSA-N 2 0 368.319 3.016 20 0 FGADRP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000073415616 494369233 /nfs/dbraw/zinc/36/92/33/494369233.db2.gz XIUARTCRGLFKJX-RTWAWAEBSA-N 2 0 372.557 3.339 20 0 FGADRP [NH3+][C@@H]1CCCCC[C@@H]1NCc1ccc(N2CCc3ccccc3C2)nc1 ZINC000577382548 505717155 /nfs/dbraw/zinc/71/71/55/505717155.db2.gz XCLMIKOSFVFIDF-RTWAWAEBSA-N 2 0 350.510 3.394 20 0 FGADRP Cc1c[nH+]ccc1N1CCC(C(=O)N(CC(C)C)C2CC[NH+](C)CC2)CC1 ZINC000073643506 494406962 /nfs/dbraw/zinc/40/69/62/494406962.db2.gz VLYCEYIKUCGTSB-UHFFFAOYSA-N 2 0 372.557 3.185 20 0 FGADRP C[C@H](NC(=O)C[C@@H](c1ccccc1)[NH+](C)C)[C@@H](c1ccccc1)[NH+](C)C ZINC000571386330 505721097 /nfs/dbraw/zinc/72/10/97/505721097.db2.gz HZZCPHWAZABAAW-XJABCFGWSA-N 2 0 353.510 3.487 20 0 FGADRP C[NH+](C)CCCC[NH2+]Cc1cc(Br)ccc1OC(F)F ZINC000045598396 494442963 /nfs/dbraw/zinc/44/29/63/494442963.db2.gz STVGOFKDYLDZQF-UHFFFAOYSA-N 2 0 351.235 3.482 20 0 FGADRP CCOc1c(Br)cc(C[NH2+]CCCC[NH+](C)C)cc1OC ZINC000045598299 494443171 /nfs/dbraw/zinc/44/31/71/494443171.db2.gz OSDVJDRDKBCZRO-UHFFFAOYSA-N 2 0 359.308 3.288 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](C)c1cc(C)oc1C ZINC000073900907 494444960 /nfs/dbraw/zinc/44/49/60/494444960.db2.gz ACPQZBWEHKAFJB-FUHWJXTLSA-N 2 0 364.534 3.015 20 0 FGADRP C[C@@H]([NH2+]Cc1ccc([S@@](C)=O)cc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000090221087 494456967 /nfs/dbraw/zinc/45/69/67/494456967.db2.gz FJIMXHAWAVVQPA-CPJLOUKISA-N 2 0 360.523 3.215 20 0 FGADRP Cc1ccccc1C[NH+]1CCC(NC(=O)NCC[N@H+]2CCCC[C@H]2C)CC1 ZINC000045757622 494457540 /nfs/dbraw/zinc/45/75/40/494457540.db2.gz RZCVWJFNAPXRAO-LJQANCHMSA-N 2 0 372.557 3.133 20 0 FGADRP C[C@@H]([NH2+]CCOc1ncccc1Cl)c1cccc(OCC[NH+](C)C)c1 ZINC000090408602 494463621 /nfs/dbraw/zinc/46/36/21/494463621.db2.gz CNSVNRGIPPIBDX-OAHLLOKOSA-N 2 0 363.889 3.405 20 0 FGADRP COc1cccc(C[C@@H]([NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)C2CC2)c1 ZINC000090523830 494477982 /nfs/dbraw/zinc/47/79/82/494477982.db2.gz WSOPXFOSSFBTDV-VJBWXMMDSA-N 2 0 372.553 3.374 20 0 FGADRP CC[NH+](CC)[C@H]1CCN(C(=O)NCC(C)(C)[NH2+][C@@H](C)c2ccccc2)C1 ZINC000074210881 494498668 /nfs/dbraw/zinc/49/86/68/494498668.db2.gz HYWBXVOXBPVEDQ-HKUYNNGSSA-N 2 0 360.546 3.242 20 0 FGADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCCOc1ncc(C(F)(F)F)cc1Cl ZINC000090884107 494500944 /nfs/dbraw/zinc/50/09/44/494500944.db2.gz AAGDFOBACLLMBS-RISCZKNCSA-N 2 0 365.827 3.453 20 0 FGADRP CC[NH+](CC)CC1CC[NH+](CCC(=O)N2CCc3sccc3C2)CC1 ZINC000056494171 494514761 /nfs/dbraw/zinc/51/47/61/494514761.db2.gz XJOLXTDGFXORMN-UHFFFAOYSA-N 2 0 363.571 3.077 20 0 FGADRP CSc1ccc(CN(C)C(=O)C[NH+]2CCC(CC[NH+](C)C)CC2)cc1 ZINC000056523578 494519466 /nfs/dbraw/zinc/51/94/66/494519466.db2.gz URYIDGTXDVMDAR-UHFFFAOYSA-N 2 0 363.571 3.031 20 0 FGADRP C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)C[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000056525255 494520782 /nfs/dbraw/zinc/52/07/82/494520782.db2.gz LZMDEFISDKKVIO-IBGZPJMESA-N 2 0 371.569 3.477 20 0 FGADRP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@H]1CCC[NH+]1CC ZINC000074496983 494547544 /nfs/dbraw/zinc/54/75/44/494547544.db2.gz CVAIDGGIPXQZJZ-NHCUHLMSSA-N 2 0 372.557 3.024 20 0 FGADRP CN(CC1CC[NH+](C)CC1)C(=O)NC[C@@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000067483210 494549715 /nfs/dbraw/zinc/54/97/15/494549715.db2.gz ALLGREFAZPZOIH-FQEVSTJZSA-N 2 0 364.578 3.014 20 0 FGADRP CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)cc1 ZINC000125938944 494582815 /nfs/dbraw/zinc/58/28/15/494582815.db2.gz DEGCYNLMJJTNOF-QAPCUYQASA-N 2 0 369.575 3.465 20 0 FGADRP C[C@H](C[NH2+][C@H](C)c1ccc(OC(F)(F)F)cc1)CN1CC[NH+](C)CC1 ZINC000121076617 494583486 /nfs/dbraw/zinc/58/34/86/494583486.db2.gz ICSDTOBGFJSOKQ-HUUCEWRRSA-N 2 0 359.436 3.119 20 0 FGADRP Cc1cc(C)n(-c2ccc(C[NH2+][C@@H]3CCC[C@H]3[C@@H]3CCCC[NH2+]3)cn2)n1 ZINC000580311442 505730792 /nfs/dbraw/zinc/73/07/92/505730792.db2.gz KBGPOGYVDLKYQH-SLFFLAALSA-N 2 0 353.514 3.285 20 0 FGADRP Cc1ccc([C@@H](CNC(=O)NC[C@@H](c2ccsc2)[NH+](C)C)[NH+](C)C)cc1 ZINC000067705292 494617098 /nfs/dbraw/zinc/61/70/98/494617098.db2.gz KGAJJNXDEFFTIH-MOPGFXCFSA-N 2 0 374.554 3.261 20 0 FGADRP CN(c1ccccc1C[N@@H+]1CCC[C@H](c2cc[nH]n2)C1)C1CC[NH+](C)CC1 ZINC000121240609 494662353 /nfs/dbraw/zinc/66/23/53/494662353.db2.gz LYOIUKIAOPGRPI-SFHVURJKSA-N 2 0 367.541 3.320 20 0 FGADRP C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]CC1CC[NH+](C)CC1 ZINC000126220608 494675481 /nfs/dbraw/zinc/67/54/81/494675481.db2.gz UZOAHHVWYQLFSD-ZDUSSCGKSA-N 2 0 357.420 3.354 20 0 FGADRP CCCn1nc(C)c(C[NH+]2CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)c1C ZINC000092587034 494678586 /nfs/dbraw/zinc/67/85/86/494678586.db2.gz IYVOYYOERBFRLJ-IAGOWNOFSA-N 2 0 362.562 3.231 20 0 FGADRP COCc1ccc(C[NH2+]CC2CC[NH+](Cc3ccc(OC)cc3)CC2)o1 ZINC000126285174 494697512 /nfs/dbraw/zinc/69/75/12/494697512.db2.gz JZBCLQYCTCIMLJ-UHFFFAOYSA-N 2 0 358.482 3.436 20 0 FGADRP C[N@@H+]1CCC[C@H](CC[NH2+]C[C@@H](O)COc2ccc(-c3ccccc3)cc2)C1 ZINC000568619719 505738654 /nfs/dbraw/zinc/73/86/54/505738654.db2.gz GHYVVWLTSIJYMS-DENIHFKCSA-N 2 0 368.521 3.415 20 0 FGADRP CCC[NH+](CCC)CCCNC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000126455229 494757001 /nfs/dbraw/zinc/75/70/01/494757001.db2.gz OCNCLUVSYOPGKG-ICSRJNTNSA-N 2 0 364.578 3.157 20 0 FGADRP CCC(C)(C)NC(=O)[C@H](C)[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092820991 494763160 /nfs/dbraw/zinc/76/31/60/494763160.db2.gz NEYZCIAMJAIPOH-KRWDZBQOSA-N 2 0 360.546 3.313 20 0 FGADRP C[C@H](CCNC(=O)NC1CCC(C[NH+](C)C)CC1)[N@H+](C)Cc1ccccc1 ZINC000121486635 494778156 /nfs/dbraw/zinc/77/81/56/494778156.db2.gz BUBXWFXHBYGDSK-KMFTYDHNSA-N 2 0 374.573 3.317 20 0 FGADRP C[NH+](C)CC[C@H](NC(=O)NCc1ccc(F)c(C[NH+](C)C)c1)C(C)(C)C ZINC000116433490 494784558 /nfs/dbraw/zinc/78/45/58/494784558.db2.gz LDUHUCDBTXKLDD-SFHVURJKSA-N 2 0 366.525 3.053 20 0 FGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](c1ccc(OC)cc1)[NH+]1CCCCC1 ZINC000116431038 494784566 /nfs/dbraw/zinc/78/45/66/494784566.db2.gz NYJRIBIGPHOIIL-RTWAWAEBSA-N 2 0 373.541 3.213 20 0 FGADRP CCC[NH+]1CCC(CNC(=O)N[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC000131956936 494784723 /nfs/dbraw/zinc/78/47/23/494784723.db2.gz YKFIXURDBOHBKK-WIYYLYMNSA-N 2 0 372.557 3.071 20 0 FGADRP CCC[NH+]1CCC(CNC(=O)N[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC000131956547 494785609 /nfs/dbraw/zinc/78/56/09/494785609.db2.gz YKFIXURDBOHBKK-GHTZIAJQSA-N 2 0 372.557 3.071 20 0 FGADRP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000092139686 494797477 /nfs/dbraw/zinc/79/74/77/494797477.db2.gz MEFGJZBPLOSGNH-OAQYLSRUSA-N 2 0 373.541 3.057 20 0 FGADRP Cc1cc(Cl)c2c(c1)[C@@H]([NH2+]C[C@@H](C)N1CC[NH+](C)CC1)CCCO2 ZINC000126661170 494813058 /nfs/dbraw/zinc/81/30/58/494813058.db2.gz YMGXLBZOKJSHAN-QAPCUYQASA-N 2 0 351.922 3.088 20 0 FGADRP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000116560879 494814280 /nfs/dbraw/zinc/81/42/80/494814280.db2.gz SXMUPGBOZIQHPK-RBUKOAKNSA-N 2 0 372.557 3.195 20 0 FGADRP C[N@@H+]1CCCN(CCC[NH2+][C@@H]2CCCOc3cc4c(cc32)CCCC4)CC1 ZINC000126664273 494814713 /nfs/dbraw/zinc/81/47/13/494814713.db2.gz GGUKAUPHZNNHDL-JOCHJYFZSA-N 2 0 371.569 3.396 20 0 FGADRP C[NH+](C)CC(C)(C)C[NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000132101388 494819859 /nfs/dbraw/zinc/81/98/59/494819859.db2.gz FPQLSOFIBVIPLQ-UHFFFAOYSA-N 2 0 351.922 3.122 20 0 FGADRP OC1CC[NH+](Cc2ccc(C[NH2+][C@@H]3[C@@H]4CCO[C@@H]4C34CCCC4)cc2)CC1 ZINC000121709607 494843030 /nfs/dbraw/zinc/84/30/30/494843030.db2.gz RLWMDTLXLGEELY-BDTNDASRSA-N 2 0 370.537 3.081 20 0 FGADRP CC[NH+]1CCC(CC[NH2+][C@@H](C)c2cc(OC)c(OC)c(OC)c2)CC1 ZINC000121706779 494843277 /nfs/dbraw/zinc/84/32/77/494843277.db2.gz CPDKDNCNYIFFON-HNNXBMFYSA-N 2 0 350.503 3.485 20 0 FGADRP CSC1(C[NH2+][C@@H]2C[C@@H](C)CN(Cc3ccccc3)C2)CC[NH+](C)CC1 ZINC000580384341 505745973 /nfs/dbraw/zinc/74/59/73/505745973.db2.gz QVBLGWVHHYTITO-UYAOXDASSA-N 2 0 361.599 3.314 20 0 FGADRP CC(C)[C@@H](C[NH2+][C@H](C)c1ccccc1Br)N1CC[NH+](C)CC1 ZINC000132326726 494856795 /nfs/dbraw/zinc/85/67/95/494856795.db2.gz MNINSDOFLXNZQI-CRAIPNDOSA-N 2 0 368.363 3.372 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cccc2ccc(C)nc21 ZINC000132457647 494878155 /nfs/dbraw/zinc/87/81/55/494878155.db2.gz LBYRTAROLVYBBE-LJQANCHMSA-N 2 0 368.525 3.031 20 0 FGADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H]2CCCc3ncc(C(F)(F)F)cc32)CC1 ZINC000132534356 494888862 /nfs/dbraw/zinc/88/88/62/494888862.db2.gz YZXUAYXEENPIAB-RHSMWYFYSA-N 2 0 370.463 3.093 20 0 FGADRP C[C@H](C(=O)N1CCC(CCC[NH+](C)C)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000132553104 494891535 /nfs/dbraw/zinc/89/15/35/494891535.db2.gz GSQLUVMLTRVTMY-GOSISDBHSA-N 2 0 357.542 3.014 20 0 FGADRP CN(c1ccccc1C[N@@H+]1CC[C@H]2OCCC[C@@H]2C1)C1CC[NH+](C)CC1 ZINC000093506448 494896669 /nfs/dbraw/zinc/89/66/69/494896669.db2.gz QQDOWVAZWVXXPQ-DENIHFKCSA-N 2 0 357.542 3.218 20 0 FGADRP COCC[N@H+](C)CCCC1CC[NH+](Cc2c[nH]nc2-c2cccnc2)CC1 ZINC000093769465 494919272 /nfs/dbraw/zinc/91/92/72/494919272.db2.gz YWYUTJBZTJLQCB-UHFFFAOYSA-N 2 0 371.529 3.042 20 0 FGADRP C[C@H](CC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1)[C@@H]1CCC[NH2+]C1 ZINC000127270507 494919997 /nfs/dbraw/zinc/91/99/97/494919997.db2.gz BGTHCCZFAXBSSW-WIYYLYMNSA-N 2 0 357.542 3.315 20 0 FGADRP CC(C)(C)[N@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)Cc1ccc(F)cc1 ZINC000132788179 494924624 /nfs/dbraw/zinc/92/46/24/494924624.db2.gz JKVKEQXIMMLEAP-UHFFFAOYSA-N 2 0 361.505 3.169 20 0 FGADRP Cc1c([C@H](C)[NH2+]C[C@@H](C)N2CC[NH+](C)CC2)cnn1-c1cc(C)ccc1C ZINC000127338131 494930828 /nfs/dbraw/zinc/93/08/28/494930828.db2.gz ZSBOYQOVQWLMAA-MOPGFXCFSA-N 2 0 369.557 3.084 20 0 FGADRP C[C@@H](C[NH2+][C@@H]1CCCc2nc(-c3ccccc3)sc21)N1CC[NH+](C)CC1 ZINC000127387871 494937777 /nfs/dbraw/zinc/93/77/77/494937777.db2.gz IPHGBKRDABCPLE-FUHWJXTLSA-N 2 0 370.566 3.413 20 0 FGADRP CC[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccc(OC)c(OC)c1 ZINC000132920842 494943027 /nfs/dbraw/zinc/94/30/27/494943027.db2.gz KSSGUBYHJVAHDH-QFBILLFUSA-N 2 0 362.514 3.245 20 0 FGADRP CN(c1ccccc1C[NH2+]CCCOCC(F)(F)F)C1CC[NH+](C)CC1 ZINC000132943104 494946963 /nfs/dbraw/zinc/94/69/63/494946963.db2.gz HYLXXSINWMGMBS-UHFFFAOYSA-N 2 0 373.463 3.276 20 0 FGADRP C[C@H]1C[C@@H](NC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)C[N@@H+]1C1CC1 ZINC000127460863 494947528 /nfs/dbraw/zinc/94/75/28/494947528.db2.gz DDURJXHYUMWRIL-FXAWDEMLSA-N 2 0 370.541 3.097 20 0 FGADRP Cc1nccn1-c1ccc([C@@H](C)[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)cc1 ZINC000132973787 494950868 /nfs/dbraw/zinc/95/08/68/494950868.db2.gz JVEXLDDVVREIRX-MJGOQNOKSA-N 2 0 368.525 3.332 20 0 FGADRP CC(C)[NH+]1CCC(NC(=O)[C@@H](C)[NH+]2CCC(Cc3ccccc3)CC2)CC1 ZINC000110608329 494994224 /nfs/dbraw/zinc/99/42/24/494994224.db2.gz FTBNTUFDRHAXBW-LJQANCHMSA-N 2 0 371.569 3.319 20 0 FGADRP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)NCC[C@@H](C)[NH+](C)Cc2ccccc2)C1 ZINC000122570358 494996677 /nfs/dbraw/zinc/99/66/77/494996677.db2.gz WDOLHCQNHJMTIR-CTNGQTDRSA-N 2 0 374.573 3.174 20 0 FGADRP CN(C[C@H](O)C[N@H+](Cc1ccc2c(c1)OCO2)C1(C)CCCC1)C1CC1 ZINC000568698503 505754900 /nfs/dbraw/zinc/75/49/00/505754900.db2.gz MSOAKLWILDCFSW-SFHVURJKSA-N 2 0 360.498 3.005 20 0 FGADRP Cc1ccc([C@H](CNC(=O)N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)[NH+]2CCCC2)cc1 ZINC000127812403 495002248 /nfs/dbraw/zinc/00/22/48/495002248.db2.gz BVPHLAZSXDOSIV-DSKINZAPSA-N 2 0 370.541 3.056 20 0 FGADRP CN(C[C@@H](O)C[N@H+](Cc1ccc2c(c1)OCO2)C1(C)CCCC1)C1CC1 ZINC000568698502 505755491 /nfs/dbraw/zinc/75/54/91/505755491.db2.gz MSOAKLWILDCFSW-GOSISDBHSA-N 2 0 360.498 3.005 20 0 FGADRP CC[NH+]1CCN(c2ccc(NC(=O)[C@@H](C)[N@H+]3[C@H](C)CC[C@@H]3C)c(C)c2)CC1 ZINC000122807588 495034440 /nfs/dbraw/zinc/03/44/40/495034440.db2.gz BUIBQEINTDFENB-CEXWTWQISA-N 2 0 372.557 3.337 20 0 FGADRP CN(c1ccccc1C[NH2+]CCc1ccccc1O)C1CC[NH+](C)CC1 ZINC000133620099 495036291 /nfs/dbraw/zinc/03/62/91/495036291.db2.gz CDANIORRTPHFKT-UHFFFAOYSA-N 2 0 353.510 3.255 20 0 FGADRP Cc1ccc(C)c([C@@H]2CCC[N@@H+]2CC(=O)NC2CC[NH+](C3CC3)CC2)c1 ZINC000133651345 495041433 /nfs/dbraw/zinc/04/14/33/495041433.db2.gz NYTVHYXNJATDPH-NRFANRHFSA-N 2 0 355.526 3.183 20 0 FGADRP C[C@H]([NH2+]CCCN1CCC[N@H+](C)CC1)c1ccccc1OC(F)(F)F ZINC000128266941 495070511 /nfs/dbraw/zinc/07/05/11/495070511.db2.gz HAMUMVPRPRRUKN-HNNXBMFYSA-N 2 0 359.436 3.263 20 0 FGADRP C[C@@H](CNC(=O)NCc1ccc(C[NH+](C)C)cc1)[N@H+](C)Cc1ccccc1 ZINC000111444215 495075105 /nfs/dbraw/zinc/07/51/05/495075105.db2.gz DLYGDUQBXLDPKC-SFHVURJKSA-N 2 0 368.525 3.068 20 0 FGADRP C[NH+](C)CCCC1CC[NH+](C[C@H](O)COc2ccc(Cl)cc2)CC1 ZINC000123113072 495082430 /nfs/dbraw/zinc/08/24/30/495082430.db2.gz NMQYLLHWAGJAMW-SFHVURJKSA-N 2 0 354.922 3.134 20 0 FGADRP COc1ccc(C)cc1NC(=O)[C@H](C)[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123164847 495090209 /nfs/dbraw/zinc/09/02/09/495090209.db2.gz MBEZPLASORXXCH-KRWDZBQOSA-N 2 0 361.530 3.384 20 0 FGADRP C[C@@H]([NH2+]CCCN1CCC[N@H+](C)CC1)c1ccc(F)cc1OC(F)F ZINC000128629842 495126628 /nfs/dbraw/zinc/12/66/28/495126628.db2.gz ZQTODRZMKCIELK-CQSZACIVSA-N 2 0 359.436 3.105 20 0 FGADRP C[NH+](C)CCCC1CCN(CC(=O)Nc2ccccc2OC(F)F)CC1 ZINC000123534703 495147781 /nfs/dbraw/zinc/14/77/81/495147781.db2.gz AWJNTSCLCFSYNH-UHFFFAOYSA-N 2 0 369.456 3.280 20 0 FGADRP COc1ccc([C@@H](CNC(=O)C[C@@H]([NH3+])c2ccccc2)[NH+]2CCCC2)cc1 ZINC000119423386 495164338 /nfs/dbraw/zinc/16/43/38/495164338.db2.gz KWGPZYQKNOEEMN-NHCUHLMSSA-N 2 0 367.493 3.038 20 0 FGADRP COC(=O)c1ccc(CN(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)s1 ZINC000119511826 495180617 /nfs/dbraw/zinc/18/06/17/495180617.db2.gz MMJBSYGSBKJAQD-KRWDZBQOSA-N 2 0 358.507 3.489 20 0 FGADRP CC[NH+](CC)[C@H](C)CNC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000103305076 495216817 /nfs/dbraw/zinc/21/68/17/495216817.db2.gz KRSCOAHSVDJASR-RTBURBONSA-N 2 0 352.567 3.014 20 0 FGADRP O=C(CN1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)NC1(c2ccccc2)CCC1 ZINC000134904560 495219623 /nfs/dbraw/zinc/21/96/23/495219623.db2.gz JAQOTVRYELWPCK-WIYYLYMNSA-N 2 0 367.537 3.131 20 0 FGADRP CC[N@@H+]1CCCC[C@H]1C(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000104137896 495269561 /nfs/dbraw/zinc/26/95/61/495269561.db2.gz LRVSEOSCGQPDPY-IBGZPJMESA-N 2 0 363.933 3.295 20 0 FGADRP C[NH+](C)CCNC(=O)c1cccc(C[NH2+][C@H]2CCC[C@H](C(F)(F)F)C2)c1 ZINC000129655234 495276445 /nfs/dbraw/zinc/27/64/45/495276445.db2.gz AMOXHMJYDGNCHK-IRXDYDNUSA-N 2 0 371.447 3.189 20 0 FGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1 ZINC000104322158 495277330 /nfs/dbraw/zinc/27/73/30/495277330.db2.gz MNMCOOFLFUXXFH-OAQYLSRUSA-N 2 0 370.541 3.032 20 0 FGADRP CCC[NH+]1CCN(c2ccccc2C[NH2+]C2CCC(C[NH+](C)C)CC2)CC1 ZINC000119964903 495278435 /nfs/dbraw/zinc/27/84/35/495278435.db2.gz GBDCIPCJVGYWRN-UHFFFAOYSA-N 3 0 372.601 3.429 20 0 FGADRP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@H]2CCCc2ccccc2)CC1 ZINC000135367253 495283593 /nfs/dbraw/zinc/28/35/93/495283593.db2.gz LDNGFKQZRWRKKN-OAQYLSRUSA-N 2 0 357.542 3.074 20 0 FGADRP C[C@@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)c1ccc(OC(F)F)cc1 ZINC000124508093 495298960 /nfs/dbraw/zinc/29/89/60/495298960.db2.gz MTTAVNYRFQFVBB-OAHLLOKOSA-N 2 0 355.473 3.212 20 0 FGADRP CCn1cc([C@H](C)[NH2+]Cc2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)cn1 ZINC000124572748 495309592 /nfs/dbraw/zinc/30/95/92/495309592.db2.gz PFHARKOCGOXPET-KURKYZTESA-N 2 0 356.514 3.363 20 0 FGADRP C[C@H]([NH2+]C(C)(C)CNC(=O)N1CCC[C@@H]([NH+]2CCCC2)C1)c1ccccc1 ZINC000113624965 495322290 /nfs/dbraw/zinc/32/22/90/495322290.db2.gz DNJGDMIXAMPDRO-AZUAARDMSA-N 2 0 372.557 3.386 20 0 FGADRP C[C@@H]([NH2+]C1(CNC(=O)NC[C@H]2CCC[N@H+](C)C2)CCCC1)c1ccccc1 ZINC000113619661 495322302 /nfs/dbraw/zinc/32/23/02/495322302.db2.gz GAJQCNPKTIUNOO-RTBURBONSA-N 2 0 372.557 3.291 20 0 FGADRP C[NH+](C)CCNC(=O)c1ccc(C[NH2+][C@H]2CCC[C@@H](C(F)(F)F)C2)cc1 ZINC000129987277 495324036 /nfs/dbraw/zinc/32/40/36/495324036.db2.gz WGRDKPUHTYKHRA-SJORKVTESA-N 2 0 371.447 3.189 20 0 FGADRP CC[NH+](CC)Cc1ccccc1CNC(=O)NC[C@H]1CCC[N@H+](CC)C1 ZINC000105093875 495336205 /nfs/dbraw/zinc/33/62/05/495336205.db2.gz LECFXFZGXLZIMN-GOSISDBHSA-N 2 0 360.546 3.060 20 0 FGADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N2CCC[C@H]([NH+](C)C)C2)cc1 ZINC000105112971 495337851 /nfs/dbraw/zinc/33/78/51/495337851.db2.gz TZELNWWDHFQUAI-RXVVDRJESA-N 2 0 372.557 3.297 20 0 FGADRP CC[NH+](CC)Cc1cccc(CNC(=O)N2CCC([NH+]3CCCC3)CC2)c1 ZINC000125029066 495379617 /nfs/dbraw/zinc/37/96/17/495379617.db2.gz SZEXMBFJZFYVNW-UHFFFAOYSA-N 2 0 372.557 3.298 20 0 FGADRP CC[NH+](CC)Cc1cccc(C[NH2+][C@@H](C)C(=O)NCc2cccs2)c1 ZINC000120494187 495391469 /nfs/dbraw/zinc/39/14/69/495391469.db2.gz MBZLOGXPYJPKBI-INIZCTEOSA-N 2 0 359.539 3.384 20 0 FGADRP COc1ccc(-c2nc(C[NH+]3CCC(CC[NH3+])CC3)cs2)cc1OC ZINC000571648523 505782276 /nfs/dbraw/zinc/78/22/76/505782276.db2.gz UBVFUAVWYZWBLQ-UHFFFAOYSA-N 2 0 361.511 3.388 20 0 FGADRP O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000106516761 495459683 /nfs/dbraw/zinc/45/96/83/495459683.db2.gz UGECHXCFYLMHTL-PKOBYXMFSA-N 2 0 374.529 3.123 20 0 FGADRP O=C(NCc1cccc(C[NH+]2CCCC2)c1)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000106528721 495463466 /nfs/dbraw/zinc/46/34/66/495463466.db2.gz BFTPHCGZZAQZKM-FQEVSTJZSA-N 2 0 370.541 3.099 20 0 FGADRP Cc1ccc(OC(F)F)c([C@@H](C)[NH2+]C[C@@H](C)CN2CC[NH+](C)CC2)c1 ZINC000120858215 495472860 /nfs/dbraw/zinc/47/28/60/495472860.db2.gz DAUJGHOASINWCN-HZPDHXFCSA-N 2 0 355.473 3.131 20 0 FGADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H](C)c2ccc(Br)c(F)c2)CC1 ZINC000131140338 495497784 /nfs/dbraw/zinc/49/77/84/495497784.db2.gz WJWOBDLQXOSKFV-KBPBESRZSA-N 2 0 372.326 3.265 20 0 FGADRP CC[NH+](CC)CCOc1ccc(C[NH2+][C@H]2CCCSC2)cc1OC ZINC000131188052 495503585 /nfs/dbraw/zinc/50/35/85/495503585.db2.gz RRQHGAKPLQVAIF-KRWDZBQOSA-N 2 0 352.544 3.401 20 0 FGADRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@H](C)c1ccc(NS(C)(=O)=O)cc1 ZINC000131285460 495516716 /nfs/dbraw/zinc/51/67/16/495516716.db2.gz ZAWKPNNQXUCMBI-HZPDHXFCSA-N 2 0 355.548 3.219 20 0 FGADRP Cc1ccc(C[C@@H]([NH2+]Cc2cccnc2N2CC[NH+](C)CC2)C2CC2)cc1 ZINC000158544606 495534735 /nfs/dbraw/zinc/53/47/35/495534735.db2.gz SEMPCLSNTHWRKT-JOCHJYFZSA-N 2 0 364.537 3.253 20 0 FGADRP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000176240246 495560181 /nfs/dbraw/zinc/56/01/81/495560181.db2.gz OSPHATGSVCMRKR-QMMLZNLJSA-N 2 0 372.557 3.384 20 0 FGADRP Clc1ccc(-n2cc(C[N@H+]3CC[C@H]4C[NH2+]C[C@H]4CC3)nn2)c(Cl)c1 ZINC000571680659 505789454 /nfs/dbraw/zinc/78/94/54/505789454.db2.gz BUFDHVYYWCHNEP-BETUJISGSA-N 2 0 366.296 3.006 20 0 FGADRP CCC[NH+]1CCC([N@H+](C)C[C@@H](O)Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000154286374 495569555 /nfs/dbraw/zinc/56/95/55/495569555.db2.gz NDHWTMYKODPRFV-SFHVURJKSA-N 2 0 358.448 3.415 20 0 FGADRP C[C@H]1C[C@H](N(C)C(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)CC[N@@H+]1C ZINC000154339137 495585508 /nfs/dbraw/zinc/58/55/08/495585508.db2.gz KKPGVBZNFIAFJI-AZUAARDMSA-N 2 0 357.542 3.230 20 0 FGADRP CN1CC[NH+](CCCC[NH2+][C@@H]2CCCOc3ccc(Cl)cc32)CC1 ZINC000154344024 495586650 /nfs/dbraw/zinc/58/66/50/495586650.db2.gz RSHMEPMRCABZDL-GOSISDBHSA-N 2 0 351.922 3.171 20 0 FGADRP C[NH+](C)CCCC1CCN(C(=O)NC[C@H](c2cccs2)[NH+](C)C)CC1 ZINC000179457687 495599120 /nfs/dbraw/zinc/59/91/20/495599120.db2.gz MVVFVLMFDZLYJL-QGZVFWFLSA-N 2 0 366.575 3.114 20 0 FGADRP C[N@@H+]1CC[C@@H](NC(=O)NCCC[NH2+]C2CCCCC2)[C@@H]1c1ccccc1 ZINC000179483413 495609125 /nfs/dbraw/zinc/60/91/25/495609125.db2.gz DKMMZSRHXKSLRP-UXHICEINSA-N 2 0 358.530 3.043 20 0 FGADRP Cc1ccc(OC(F)F)c([C@H](C)NC[C@@H](O)C[NH+]2CCC(C)CC2)c1 ZINC000158893222 495610162 /nfs/dbraw/zinc/61/01/62/495610162.db2.gz NVUTXQSWEVIATJ-JKSUJKDBSA-N 2 0 356.457 3.340 20 0 FGADRP CC[C@H]([NH2+]CC(=O)NC1CC[NH+](CC)CC1)C12CC3CC(CC(C3)C1)C2 ZINC000580588759 505792409 /nfs/dbraw/zinc/79/24/09/505792409.db2.gz HHWJXLJUXQHAHE-BUMILGAPSA-N 2 0 361.574 3.172 20 0 FGADRP CC1(C)CC(NC(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2)CC(C)(C)[NH2+]1 ZINC000182580906 495623025 /nfs/dbraw/zinc/62/30/25/495623025.db2.gz KUONNLJHVYUXPA-LJQANCHMSA-N 2 0 357.542 3.467 20 0 FGADRP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@H]2C2CCC2)CC1 ZINC000170872477 495635045 /nfs/dbraw/zinc/63/50/45/495635045.db2.gz BYONFNLXPWUJLS-QFIPXVFZSA-N 2 0 369.553 3.340 20 0 FGADRP CCN(C(=O)NC1CC[NH+](C(C)C)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000159051007 495646559 /nfs/dbraw/zinc/64/65/59/495646559.db2.gz PAGYDDLZOMVGHJ-NRFANRHFSA-N 2 0 372.557 3.165 20 0 FGADRP C[C@H]([NH2+]C[C@H](O)COc1ccccc1Cl)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185662470 495668676 /nfs/dbraw/zinc/66/86/76/495668676.db2.gz PMHBHDDFSJMMFT-BQFCYCMXSA-N 2 0 366.933 3.322 20 0 FGADRP C[NH+]1CCN(c2cc(C[NH2+][C@H]3CCc4cc(Cl)ccc43)ccn2)CC1 ZINC000159197729 495681641 /nfs/dbraw/zinc/68/16/41/495681641.db2.gz KAXDPQZOQOUURL-IBGZPJMESA-N 2 0 356.901 3.264 20 0 FGADRP COCC[N@H+](C)CCCC1CC[NH+](Cc2cn3c(cccc3C)n2)CC1 ZINC000179677907 495688108 /nfs/dbraw/zinc/68/81/08/495688108.db2.gz NUIOHHXHTGWAMP-UHFFFAOYSA-N 2 0 358.530 3.213 20 0 FGADRP CC[C@@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1ccccc1OC(F)F ZINC000150986134 495703158 /nfs/dbraw/zinc/70/31/58/495703158.db2.gz FCRFXFFRARFESQ-QGZVFWFLSA-N 2 0 355.473 3.355 20 0 FGADRP CN(c1ccccc1C[NH2+]C[C@]1(C)CCCC[C@@H]1O)C1CC[NH+](C)CC1 ZINC000151075448 495730738 /nfs/dbraw/zinc/73/07/38/495730738.db2.gz IDWVVDGRVDYMIP-VXKWHMMOSA-N 2 0 359.558 3.248 20 0 FGADRP CCC[NH+]1CCC(N(C)C(=O)N[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)CC1 ZINC000182874826 495737379 /nfs/dbraw/zinc/73/73/79/495737379.db2.gz GPGGGJMGDATCJS-MSOLQXFVSA-N 2 0 364.578 3.155 20 0 FGADRP C[C@H](NC(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000182918176 495756399 /nfs/dbraw/zinc/75/63/99/495756399.db2.gz BGRDTBAYVPUNNM-FHWLQOOXSA-N 2 0 364.578 3.155 20 0 FGADRP Fc1ccc(OCCC[NH+]2CCC(OCC[NH+]3CCCC3)CC2)cc1 ZINC000173946278 495757838 /nfs/dbraw/zinc/75/78/38/495757838.db2.gz CGRWEQXIZFJVPJ-UHFFFAOYSA-N 2 0 350.478 3.171 20 0 FGADRP C[C@@H](NC(=O)Nc1ccc2c(c1)C[NH2+]C2)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000580630961 505801873 /nfs/dbraw/zinc/80/18/73/505801873.db2.gz QKBJZEMCRZVTHD-APWZRJJASA-N 2 0 364.493 3.322 20 0 FGADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+]C1CCN(c2ccc(C(C)(C)C)cc2)CC1 ZINC000154960993 495785516 /nfs/dbraw/zinc/78/55/16/495785516.db2.gz XLKKTNYRSIBXHV-LJQANCHMSA-N 2 0 372.601 3.178 20 0 FGADRP CSC1(C[NH2+][C@H](C)c2cccc(OCC[NH+](C)C)c2)CC[NH+](C)CC1 ZINC000580645836 505805159 /nfs/dbraw/zinc/80/51/59/505805159.db2.gz CCGAYRWRJQPMHM-QGZVFWFLSA-N 3 0 365.587 3.105 20 0 FGADRP Cc1ccccc1[C@H]([NH3+])C(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000577865027 505808432 /nfs/dbraw/zinc/80/84/32/505808432.db2.gz CQQIOTRLGDGPEP-UTKZUKDTSA-N 2 0 351.494 3.337 20 0 FGADRP Cc1ccccc1[C@@H]([NH3+])C(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000577865025 505808485 /nfs/dbraw/zinc/80/84/85/505808485.db2.gz CQQIOTRLGDGPEP-DYESRHJHSA-N 2 0 351.494 3.337 20 0 FGADRP COc1ncccc1CC[NH2+][C@@H]1CCN(Cc2ccccc2)C2(CC2)C1 ZINC000577869328 505809138 /nfs/dbraw/zinc/80/91/38/505809138.db2.gz FHCGNGYIXKDGGX-HXUWFJFHSA-N 2 0 351.494 3.420 20 0 FGADRP Cc1c2ccccc2oc1[C@@H](C)[NH2+]CCCN1CCC[C@@H]1C(=O)N(C)C ZINC000155300414 495910078 /nfs/dbraw/zinc/91/00/78/495910078.db2.gz CGLSGHPZUOVHAE-SJLPKXTDSA-N 2 0 357.498 3.335 20 0 FGADRP C[C@@H]([NH2+]CCCN1CCC[C@@H]1C(=O)N(C)C)c1cc2c(s1)CCCC2 ZINC000155310205 495914137 /nfs/dbraw/zinc/91/41/37/495914137.db2.gz OWUQEFBLRHLJAV-NVXWUHKLSA-N 2 0 363.571 3.220 20 0 FGADRP Cc1cccc(NC[C@@H]2CC[N@@H+](CC(=O)N[C@@H](C)c3ccccc3)C2)[nH+]1 ZINC000171653169 495972763 /nfs/dbraw/zinc/97/27/63/495972763.db2.gz OHJZHQIVDGJHQZ-ROUUACIJSA-N 2 0 352.482 3.001 20 0 FGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@@H](c2ccccc2)c2ccccn2)CC1 ZINC000180440387 495996546 /nfs/dbraw/zinc/99/65/46/495996546.db2.gz OEPKECOMJNEINA-UGKGYDQZSA-N 2 0 352.526 3.034 20 0 FGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@@H]2CCc3[nH]c4ccc(C)cc4c3C2)CC1 ZINC000180441236 495997845 /nfs/dbraw/zinc/99/78/45/495997845.db2.gz VBNDAEBECIBRTA-RBUKOAKNSA-N 2 0 368.569 3.197 20 0 FGADRP Cc1nn(C)cc1[C@H](C)[NH2+]CCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000183498850 496010883 /nfs/dbraw/zinc/01/08/83/496010883.db2.gz UFTZMDXAVZUVQM-KRWDZBQOSA-N 2 0 356.514 3.096 20 0 FGADRP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)c1ccc(Br)cc1 ZINC000177322426 496017281 /nfs/dbraw/zinc/01/72/81/496017281.db2.gz LNTNPLHDYMPVPY-WMLDXEAASA-N 2 0 355.320 3.337 20 0 FGADRP C[C@@H]1C[N@@H+](CCCC[NH2+]Cc2cn(C)nc2C2CCCCC2)C[C@H](C)O1 ZINC000183564889 496032653 /nfs/dbraw/zinc/03/26/53/496032653.db2.gz XUHXRVJVXFONAA-HDICACEKSA-N 2 0 362.562 3.447 20 0 FGADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H](COC)c2cccc(C(F)(F)F)c2)CC1 ZINC000155677005 496033373 /nfs/dbraw/zinc/03/33/73/496033373.db2.gz YIUCWVMIYOKKAN-QAPCUYQASA-N 2 0 373.463 3.009 20 0 FGADRP C[NH+](C)Cc1cccc(C(=O)NCc2cccc(C[NH+]3CCCC3)c2)c1 ZINC000155713454 496043775 /nfs/dbraw/zinc/04/37/75/496043775.db2.gz IYZVOHCZMXBCGB-UHFFFAOYSA-N 2 0 351.494 3.274 20 0 FGADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H](C)c2cc(Cl)c(OC)cc2OC)CC1 ZINC000155717425 496044864 /nfs/dbraw/zinc/04/48/64/496044864.db2.gz DQMHKDYLQIELJM-LSDHHAIUSA-N 2 0 369.937 3.034 20 0 FGADRP CCc1noc(C2CCC([NH2+]CCCC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)n1 ZINC000183747093 496101759 /nfs/dbraw/zinc/10/17/59/496101759.db2.gz URYVKSFQRFXDRD-MRLCAUJQSA-N 2 0 364.534 3.137 20 0 FGADRP c1cc(N2CCCC2)ncc1C[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000180795982 496150455 /nfs/dbraw/zinc/15/04/55/496150455.db2.gz CHPZFALPMADDIY-UHFFFAOYSA-N 2 0 372.557 3.006 20 0 FGADRP CCn1cc([C@@H](C)[NH2+]CCCC[NH+]2CCN(c3ccccc3)CC2)cn1 ZINC000156080924 496152742 /nfs/dbraw/zinc/15/27/42/496152742.db2.gz PEIJWZFYCQKWKM-LJQANCHMSA-N 2 0 355.530 3.156 20 0 FGADRP O=C(c1ccc(Cl)cc1)N1CCC([NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000152456118 496157324 /nfs/dbraw/zinc/15/73/24/496157324.db2.gz RSLOLIGETOVTAL-OAHLLOKOSA-N 2 0 361.917 3.019 20 0 FGADRP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC000183914243 496159274 /nfs/dbraw/zinc/15/92/74/496159274.db2.gz YMLGNGAEUSSFLZ-NRFANRHFSA-N 2 0 359.558 3.380 20 0 FGADRP Cc1ccc(Br)cc1NC(=O)CC[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000180829674 496162676 /nfs/dbraw/zinc/16/26/76/496162676.db2.gz URPBMKPNDKOLID-HIFRSBDPSA-N 2 0 368.319 3.158 20 0 FGADRP CC1(C)OCc2cc(C[NH+]3CCC(OCC[NH+]4CCCC4)CC3)ccc2O1 ZINC000186834406 496173357 /nfs/dbraw/zinc/17/33/57/496173357.db2.gz HQNJDSMCMYEXQN-UHFFFAOYSA-N 2 0 374.525 3.409 20 0 FGADRP Cc1cccc(N2CCC(NC(=O)[C@H]3CC[N@@H+](C4CCCCC4)C3)CC2)n1 ZINC000177724916 496173627 /nfs/dbraw/zinc/17/36/27/496173627.db2.gz JNLFGFWERRPGHH-SFHVURJKSA-N 2 0 370.541 3.130 20 0 FGADRP C[C@@H]1C[C@H](NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)C[N@@H+]1Cc1ccccc1 ZINC000161629663 496211115 /nfs/dbraw/zinc/21/11/15/496211115.db2.gz WOALXMLFMNDIBY-AEFFLSMTSA-N 2 0 372.557 3.258 20 0 FGADRP CC[NH+]1CCN(c2ccccc2C[NH+]2CCC(C[NH+]3CCCC3)CC2)CC1 ZINC000152681299 496224046 /nfs/dbraw/zinc/22/40/46/496224046.db2.gz BSQJOAOCVMVOMQ-UHFFFAOYSA-N 3 0 370.585 3.136 20 0 FGADRP CC(C)[C@@H](Cc1ccccc1)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000186977898 496236967 /nfs/dbraw/zinc/23/69/67/496236967.db2.gz RWMMBHDTIRQVCO-OAQYLSRUSA-N 2 0 352.526 3.190 20 0 FGADRP CCN(C(=O)C1CC[NH+](C(C)C)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000184189308 496278733 /nfs/dbraw/zinc/27/87/33/496278733.db2.gz JORZDQKZYOTEEG-NRFANRHFSA-N 2 0 357.542 3.230 20 0 FGADRP CC[NH+]1CCN(CCC[NH2+][C@H](C)c2cc(Br)ccc2F)CC1 ZINC000178003531 496283510 /nfs/dbraw/zinc/28/35/10/496283510.db2.gz DOPFKBCDTNVYFW-CQSZACIVSA-N 2 0 372.326 3.266 20 0 FGADRP C[NH+](C)CCN(C(=O)Nc1cc(Cl)cc(Cl)c1)C1CC[NH+](C)CC1 ZINC000152902092 496290625 /nfs/dbraw/zinc/29/06/25/496290625.db2.gz HOLLJHQRKZFTHE-UHFFFAOYSA-N 2 0 373.328 3.483 20 0 FGADRP CC[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)c1ccc(F)cc1F ZINC000172536080 496332514 /nfs/dbraw/zinc/33/25/14/496332514.db2.gz RLYBDWAFFNHTAY-IBGZPJMESA-N 2 0 360.452 3.353 20 0 FGADRP C[C@@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)c1ccc2ccccc2n1 ZINC000178120459 496337522 /nfs/dbraw/zinc/33/75/22/496337522.db2.gz USMRXGOSPRRBJJ-QGZVFWFLSA-N 2 0 361.493 3.232 20 0 FGADRP CC[N@H+](C)Cc1cccc(CNC(=O)N2CCC[NH+](C3CCCC3)CC2)c1 ZINC000172572120 496344890 /nfs/dbraw/zinc/34/48/90/496344890.db2.gz PNWDSZIBJHNKPO-UHFFFAOYSA-N 2 0 372.557 3.298 20 0 FGADRP Cc1ccc(C[N@H+]2CCCN(C(=O)C[NH2+][C@@H](C)c3ccccc3)CC2)cc1 ZINC000181376002 496371811 /nfs/dbraw/zinc/37/18/11/496371811.db2.gz NNXPVRLVCQSFCW-FQEVSTJZSA-N 2 0 365.521 3.380 20 0 FGADRP CCc1ccc([C@@H](C)NCc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)o1 ZINC000156975863 496377640 /nfs/dbraw/zinc/37/76/40/496377640.db2.gz DIAYOJOJEGRFMR-APWZRJJASA-N 2 0 369.509 3.390 20 0 FGADRP C[C@H](CC(=O)Nc1cccnc1Cl)[NH2+]CC[C@H](C)[NH+]1CCCCC1 ZINC000184508912 496416971 /nfs/dbraw/zinc/41/69/71/496416971.db2.gz FLCIECBTSZTYKH-CABCVRRESA-N 2 0 352.910 3.306 20 0 FGADRP CC(C)(C)C1CCC(C[N@@H+]2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)CC1 ZINC000578022160 505843048 /nfs/dbraw/zinc/84/30/48/505843048.db2.gz SFRNMCRGBLFAHS-PCODVIEZSA-N 2 0 363.590 3.419 20 0 FGADRP C[NH+](C)CCNC(=O)C1CC[NH+](CC2CCC(C(C)(C)C)CC2)CC1 ZINC000172771726 496423747 /nfs/dbraw/zinc/42/37/47/496423747.db2.gz SAKBKOCTYZTENI-UHFFFAOYSA-N 2 0 351.579 3.229 20 0 FGADRP CC(C)[NH+]1CCC([NH2+]CCC(=O)Nc2ccc(Br)cc2)CC1 ZINC000178354127 496425344 /nfs/dbraw/zinc/42/53/44/496425344.db2.gz UGTFDTVQOGNVBZ-UHFFFAOYSA-N 2 0 368.319 3.240 20 0 FGADRP Cc1nc(C)c([C@@H](C)[NH2+]Cc2ccc(CN3CC[NH+](C)CC3)cc2)s1 ZINC000178414626 496448161 /nfs/dbraw/zinc/44/81/61/496448161.db2.gz LRCQVPKZCBHNHZ-OAHLLOKOSA-N 2 0 358.555 3.358 20 0 FGADRP COc1ccccc1[C@@H](O)C[NH2+][C@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000178443647 496459043 /nfs/dbraw/zinc/45/90/43/496459043.db2.gz HHICXLQXQOGKNG-UZLBHIALSA-N 2 0 358.482 3.020 20 0 FGADRP CCO[C@@H]1C[C@@H]([NH2+]Cc2cccnc2N2CC[NH+](C)CC2)C12CCCCC2 ZINC000181592046 496460072 /nfs/dbraw/zinc/46/00/72/496460072.db2.gz ZJOUAJKPTFNFQG-WOJBJXKFSA-N 2 0 372.557 3.051 20 0 FGADRP CC(C)[NH+]1CCC(NC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000184604568 496461250 /nfs/dbraw/zinc/46/12/50/496461250.db2.gz IQOAIXRHQWMLNR-UHFFFAOYSA-N 2 0 357.542 3.278 20 0 FGADRP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@H](C)[C@@H]2C)CC1 ZINC000172864188 496465951 /nfs/dbraw/zinc/46/59/51/496465951.db2.gz YMHGHIUIAAFTKL-HKUYNNGSSA-N 2 0 357.542 3.196 20 0 FGADRP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000175646315 496481906 /nfs/dbraw/zinc/48/19/06/496481906.db2.gz PPQXYLJSMAMNLW-LEWJYISDSA-N 2 0 372.557 3.345 20 0 FGADRP CN(CC1CC[NH+](C)CC1)C(=O)NC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000157502504 496489601 /nfs/dbraw/zinc/48/96/01/496489601.db2.gz XRXAIVCRRGVYPV-JOCHJYFZSA-N 2 0 372.557 3.024 20 0 FGADRP CSCC[C@H]([NH3+])C(=O)NCc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000181671236 496497067 /nfs/dbraw/zinc/49/70/67/496497067.db2.gz LKYDGFHNAMITBT-FQEVSTJZSA-N 2 0 371.550 3.112 20 0 FGADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CCCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000163317649 496498230 /nfs/dbraw/zinc/49/82/30/496498230.db2.gz SWXYOGLPPYDXCU-INIZCTEOSA-N 2 0 356.436 3.097 20 0 FGADRP Cc1cc(NC(=O)CC[NH2+]C2[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]2C)no1 ZINC000184747406 496516792 /nfs/dbraw/zinc/51/67/92/496516792.db2.gz CHBYDYVLUIBSCD-GWTOYCKXSA-N 2 0 370.497 3.058 20 0 FGADRP CC[C@H]([NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1)c1ccc(F)cc1 ZINC000163538978 496528864 /nfs/dbraw/zinc/52/88/64/496528864.db2.gz CWGLXGHLBPBATA-IBGZPJMESA-N 2 0 363.521 3.493 20 0 FGADRP C[N@H+](CCNC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1)C1CCCC1 ZINC000157815150 496561493 /nfs/dbraw/zinc/56/14/93/496561493.db2.gz UJGGSWLDTXGZBL-UHFFFAOYSA-N 2 0 357.542 3.279 20 0 FGADRP CCn1cc([C@H](C)[NH2+]CCCC[NH+]2CCN(Cc3ccccc3)CC2)cn1 ZINC000163926596 496570316 /nfs/dbraw/zinc/57/03/16/496570316.db2.gz HQXWXHYEZUCGHW-FQEVSTJZSA-N 2 0 369.557 3.152 20 0 FGADRP C[NH+](C)CC1(CNC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CCCC1 ZINC000184910899 496581510 /nfs/dbraw/zinc/58/15/10/496581510.db2.gz LLBVBVDIGFNFOV-UHFFFAOYSA-N 2 0 372.557 3.204 20 0 FGADRP CC(C)c1ccc(C2(O)CCC([NH2+]CCCN3CC[NH+](C)CC3)CC2)cc1 ZINC000181922645 496599857 /nfs/dbraw/zinc/59/98/57/496599857.db2.gz LMWJCDMNMVLMBU-UHFFFAOYSA-N 2 0 373.585 3.167 20 0 FGADRP CCC[N@H+](CC)CC(=O)NC[C@@H](c1ccc(OC)cc1)[NH+]1CCCCC1 ZINC000574781443 505854492 /nfs/dbraw/zinc/85/44/92/505854492.db2.gz YJZCVKFGHHSMNL-FQEVSTJZSA-N 2 0 361.530 3.070 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1ccccc1OC(F)F ZINC000571959907 505855248 /nfs/dbraw/zinc/85/52/48/505855248.db2.gz HUPWSZMXRNRGDW-QGZVFWFLSA-N 2 0 355.473 3.136 20 0 FGADRP O=C(Nc1cc(Cl)cc(Cl)c1)[C@H]1CCC[N@@H+]1CC1CC[NH2+]CC1 ZINC000178958906 496630043 /nfs/dbraw/zinc/63/00/43/496630043.db2.gz HBXBQMUIFYJOPZ-MRXNPFEDSA-N 2 0 356.297 3.396 20 0 FGADRP Cc1ccc(S(=O)(=O)C[C@H](C)[NH2+]CCCC[NH+]2CCC(C)CC2)cc1 ZINC000185036755 496632292 /nfs/dbraw/zinc/63/22/92/496632292.db2.gz NIOSSLSWWWYDFG-IBGZPJMESA-N 2 0 366.571 3.259 20 0 FGADRP O=C(Nc1ccc(F)c(Cl)c1)C1CC[NH+](CC2CC[NH2+]CC2)CC1 ZINC000178973677 496633362 /nfs/dbraw/zinc/63/33/62/496633362.db2.gz JNZPOJXVYPZYSN-UHFFFAOYSA-N 2 0 353.869 3.129 20 0 FGADRP C[C@@H](O)C[C@H]1CCC[N@@H+]1Cc1cccc(C[NH+]2CCC[C@H]2C[C@H](C)O)c1 ZINC000179090785 496671538 /nfs/dbraw/zinc/67/15/38/496671538.db2.gz QGWKHRDSVPNGHR-VVIORFSUSA-N 2 0 360.542 3.157 20 0 FGADRP C[C@H]([NH2+]CCCN1CCC[N@H+](C)CC1)c1cccc(Br)c1 ZINC000173391466 496672797 /nfs/dbraw/zinc/67/27/97/496672797.db2.gz GMPYKDNIURNOAN-HNNXBMFYSA-N 2 0 354.336 3.127 20 0 FGADRP CC[NH+](CC)CCn1ccc2cc(NC(=O)[C@@H]([NH3+])CCSC)ccc21 ZINC000166167593 496678546 /nfs/dbraw/zinc/67/85/46/496678546.db2.gz XHMQMDQRGOEVSW-KRWDZBQOSA-N 2 0 362.543 3.002 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)C(C)(C)C[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000166243753 496681180 /nfs/dbraw/zinc/68/11/80/496681180.db2.gz UJDLJEJPIWIPOK-HNNXBMFYSA-N 2 0 359.436 3.189 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccccc1 ZINC000173414053 496682913 /nfs/dbraw/zinc/68/29/13/496682913.db2.gz XWQOPLREEPZNLB-RLLQIKCJSA-N 2 0 360.546 3.194 20 0 FGADRP C[C@H](CCNC(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)[NH+]1CCCCC1 ZINC000182161810 496692913 /nfs/dbraw/zinc/69/29/13/496692913.db2.gz WYLSDCXZSJXTIA-CEXWTWQISA-N 2 0 364.578 3.203 20 0 FGADRP O[C@@H](C[NH2+]C1CC[NH+](C2CCCCC2)CC1)COCc1ccccc1F ZINC000580888247 505861968 /nfs/dbraw/zinc/86/19/68/505861968.db2.gz KFVAKYDIZZQOOQ-FQEVSTJZSA-N 2 0 364.505 3.090 20 0 FGADRP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)N[C@H](C[NH3+])c1ccc2ccccc2c1 ZINC000580882047 505860127 /nfs/dbraw/zinc/86/01/27/505860127.db2.gz JAIOHGXTFFMBHQ-LEWJYISDSA-N 2 0 368.525 3.355 20 0 FGADRP CN(C)[C@@H](C(=O)N1CC(C)(C)[C@@H]1c1nccn1C)c1ccc(Cl)cc1 ZINC000569138476 505860889 /nfs/dbraw/zinc/86/08/89/505860889.db2.gz WFSXNWOFPVMYFX-CVEARBPZSA-N 2 0 360.889 3.286 20 0 FGADRP COc1cc([C@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CC[C@H](O)C2)ccc1F ZINC000182269903 496723865 /nfs/dbraw/zinc/72/38/65/496723865.db2.gz NOSQITMXGSLBEC-KXBFYZLASA-N 2 0 358.457 3.252 20 0 FGADRP C[NH+](C)[C@@]1(CN[C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CCSC1 ZINC000580893251 505862757 /nfs/dbraw/zinc/86/27/57/505862757.db2.gz ZFYODAJTLKPZQE-TZIWHRDSSA-N 2 0 359.583 3.211 20 0 FGADRP CSc1ccccc1[C@@H](C)[NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000194853266 496736283 /nfs/dbraw/zinc/73/62/83/496736283.db2.gz AELSOBYMLJBKIZ-MRXNPFEDSA-N 2 0 356.539 3.406 20 0 FGADRP C[C@@H]1CCC[C@](CN[C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)([NH+](C)C)C1 ZINC000246963596 496737170 /nfs/dbraw/zinc/73/71/70/496737170.db2.gz ISYUDJDHXJYBNZ-CZAYHTPWSA-N 3 0 358.574 3.392 20 0 FGADRP C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)CC2CC[NH+](C)CC2)C1 ZINC000273254294 496754265 /nfs/dbraw/zinc/75/42/65/496754265.db2.gz WQPYKRMOAXUPLL-SFHVURJKSA-N 2 0 357.542 3.267 20 0 FGADRP c1cc([C@@H]2CCC[NH+](CCCCC[N@@H+]3CCC[C@@H](c4cc[nH]n4)C3)C2)n[nH]1 ZINC000247038452 496760338 /nfs/dbraw/zinc/76/03/38/496760338.db2.gz PRDBDSPNYDBQTC-RTBURBONSA-N 2 0 370.545 3.362 20 0 FGADRP Cc1ccc([C@H](C)NC(=O)CN2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1C ZINC000247049674 496762879 /nfs/dbraw/zinc/76/28/79/496762879.db2.gz ZGEFCTXOGDKZFP-VCOUNFBDSA-N 2 0 369.553 3.429 20 0 FGADRP CCCn1ccnc1CCCN(C)Cc1nc(Cc2ccccc2)no1 ZINC000191473936 496774616 /nfs/dbraw/zinc/77/46/16/496774616.db2.gz MWXJDVBBTXQFDF-UHFFFAOYSA-N 2 0 353.470 3.332 20 0 FGADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H](C)CS(=O)(=O)c1ccc(C)cc1 ZINC000273380745 496788646 /nfs/dbraw/zinc/78/86/46/496788646.db2.gz IBRCIZOCDJJWFR-ZWKOTPCHSA-N 2 0 354.560 3.257 20 0 FGADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@H](c1ccc(Cl)cc1)N1CCOCC1 ZINC000247188644 496801796 /nfs/dbraw/zinc/80/17/96/496801796.db2.gz ZUJGPKCGSQKYOT-YAJHFMINSA-N 2 0 365.949 3.032 20 0 FGADRP COc1cc([C@@H](C)[NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)ccc1OC(F)F ZINC000268856053 496805381 /nfs/dbraw/zinc/80/53/81/496805381.db2.gz CWSKMYZFACVYML-GDBMZVCRSA-N 2 0 372.456 3.184 20 0 FGADRP CC(C)C[C@H]([NH2+][C@H]1CCCc2c3ccccc3[nH]c21)C(=O)NCC[NH+](C)C ZINC000569166736 505867544 /nfs/dbraw/zinc/86/75/44/505867544.db2.gz HTTPRTCXJICKFH-PMACEKPBSA-N 2 0 370.541 3.227 20 0 FGADRP C[C@@H](CC(=O)Nc1cccnc1Cl)[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000268877559 496811329 /nfs/dbraw/zinc/81/13/29/496811329.db2.gz FBMRHNDQEUHZOW-ZDUSSCGKSA-N 2 0 350.894 3.059 20 0 FGADRP Cc1cc(Br)cn2cc(CC[NH2+][C@@H]3CC[N@H+](C)[C@H](C)C3)nc12 ZINC000273492686 496821681 /nfs/dbraw/zinc/82/16/81/496821681.db2.gz XDVNDQODGWXBFI-UKRRQHHQSA-N 2 0 365.319 3.020 20 0 FGADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)NC2CC[NH+]([C@H](C)c3ccccc3)CC2)C1 ZINC000247324563 496835409 /nfs/dbraw/zinc/83/54/09/496835409.db2.gz LTDOROZUKUZTET-MOPGFXCFSA-N 2 0 372.557 3.195 20 0 FGADRP CCCOc1ccc([C@@H](C)[NH2+]C[C@H]2CN(C)CCN2C)cc1OCCC ZINC000268960983 496835733 /nfs/dbraw/zinc/83/57/33/496835733.db2.gz XEUHEKOEVPCODO-MJGOQNOKSA-N 2 0 363.546 3.161 20 0 FGADRP C[C@@H]1C[C@@H](NC2CC[NH+](C[C@H]3CCOC3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000268976383 496841031 /nfs/dbraw/zinc/84/10/31/496841031.db2.gz BSUNOSSQXKVJCB-LSWJPFSZSA-N 2 0 371.569 3.130 20 0 FGADRP C[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccc(-n2cccn2)cc1 ZINC000268980233 496841291 /nfs/dbraw/zinc/84/12/91/496841291.db2.gz CSKPNLCSNVMDEM-ROUUACIJSA-N 2 0 354.498 3.024 20 0 FGADRP O=C(NC[C@@H]1CCCC[N@@H+]1C1CC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000277655041 496842401 /nfs/dbraw/zinc/84/24/01/496842401.db2.gz ZIOOLZIVPUZFSH-NRFANRHFSA-N 2 0 355.526 3.032 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1)c1ccco1 ZINC000273580822 496846183 /nfs/dbraw/zinc/84/61/83/496846183.db2.gz KDFCAZLYWWSMFG-FUHWJXTLSA-N 2 0 364.534 3.034 20 0 FGADRP O=C(N1CCC[C@H](C[NH+]2CCCCCC2)C1)[C@]1(c2ccccc2)CC[NH2+]C1 ZINC000572033506 505873903 /nfs/dbraw/zinc/87/39/03/505873903.db2.gz KJESHRYVTDBOCP-NFBKMPQASA-N 2 0 369.553 3.032 20 0 FGADRP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+][C@H]1CCc2ccc(OC(F)(F)F)cc21 ZINC000247959968 496933412 /nfs/dbraw/zinc/93/34/12/496933412.db2.gz GDFMYPHDRIQCJZ-YJBOKZPZSA-N 2 0 372.431 3.399 20 0 FGADRP Cc1ccc([C@H](CNC(=O)N[C@H](C)C[NH+]2CCCCC2)[NH+]2CCCC2)cc1 ZINC000195746439 496963602 /nfs/dbraw/zinc/96/36/02/496963602.db2.gz AQEIPXCERJYYFD-CTNGQTDRSA-N 2 0 372.557 3.306 20 0 FGADRP Cc1ncc2n1C[C@H](C(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)CC2 ZINC000580955221 505876641 /nfs/dbraw/zinc/87/66/41/505876641.db2.gz RJFVSNPPSFGEAA-MDZRGWNJSA-N 2 0 372.538 3.015 20 0 FGADRP C[NH+]1CCN(c2ccc(C[NH2+][C@H]3CC[C@@H](Cc4ccccc4)C3)cn2)CC1 ZINC000189028643 496982980 /nfs/dbraw/zinc/98/29/80/496982980.db2.gz UUFDVHAQTNNUPH-UNMCSNQZSA-N 2 0 364.537 3.334 20 0 FGADRP CC(C)n1cc([C@@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H]2CO)cn1 ZINC000248458462 497018327 /nfs/dbraw/zinc/01/83/27/497018327.db2.gz USIUJNQYVQCUAA-UTKZUKDTSA-N 2 0 356.514 3.272 20 0 FGADRP CCN(CCC[NH+](C)C)C(=O)NC[C@@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC000189159606 497027710 /nfs/dbraw/zinc/02/77/10/497027710.db2.gz HKMIQPPDOZPUNN-FQEVSTJZSA-N 2 0 360.546 3.115 20 0 FGADRP C[C@H]([NH2+]C[C@@H](O)COc1ccccc1Cl)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248584265 497048479 /nfs/dbraw/zinc/04/84/79/497048479.db2.gz PMHBHDDFSJMMFT-LZLYRXPVSA-N 2 0 366.933 3.322 20 0 FGADRP CCC[NH+]1CCC(N(C)C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000248788005 497104761 /nfs/dbraw/zinc/10/47/61/497104761.db2.gz IMXKNWNOYMPLNX-WIYYLYMNSA-N 2 0 372.557 3.023 20 0 FGADRP C[C@@H]1C[N@@H+](Cc2ccc(C[NH2+][C@H]3[C@H]4CCO[C@H]4C34CCC4)cc2)C[C@H](C)O1 ZINC000248821931 497109767 /nfs/dbraw/zinc/10/97/67/497109767.db2.gz XMQFXLVLQYMZJE-PNBTUHDLSA-N 2 0 370.537 3.343 20 0 FGADRP COC(=O)C1CCC([NH2+]C2[C@@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000192444840 497116705 /nfs/dbraw/zinc/11/67/05/497116705.db2.gz APEFDMMQEXAVSM-BEEJXANESA-N 2 0 358.526 3.464 20 0 FGADRP CC1CC[NH+](Cc2ccccc2CNC(=O)[C@H]([NH3+])c2ccccc2)CC1 ZINC000236631020 497123518 /nfs/dbraw/zinc/12/35/18/497123518.db2.gz MLUMVDJFOGIRBV-OAQYLSRUSA-N 2 0 351.494 3.235 20 0 FGADRP CC(C)[C@H](CNC(=O)C[C@H](C)[C@@H]1CCC[NH2+]C1)[N@@H+]1CCc2ccccc2C1 ZINC000236660180 497128650 /nfs/dbraw/zinc/12/86/50/497128650.db2.gz XVIZDCKCHBBOCX-DWLFOUALSA-N 2 0 371.569 3.211 20 0 FGADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1cc(Cl)c(N)c(Cl)c1 ZINC000274638600 497135147 /nfs/dbraw/zinc/13/51/47/497135147.db2.gz QMOWEQUIDHJNFT-STQMWFEESA-N 2 0 359.345 3.252 20 0 FGADRP O=C(CC[NH+]1CCC(c2ncc[nH]2)CC1)N[C@H]1CCCc2ccccc21 ZINC000265542818 497136341 /nfs/dbraw/zinc/13/63/41/497136341.db2.gz XERZFOWBQQLUCM-IBGZPJMESA-N 2 0 352.482 3.173 20 0 FGADRP CC1CC[NH+]([C@H](CNC(=O)[C@H]2CC23CC[NH2+]CC3)c2cccs2)CC1 ZINC000236730561 497139703 /nfs/dbraw/zinc/13/97/03/497139703.db2.gz PTOIHTSQYYPNOL-IAGOWNOFSA-N 2 0 361.555 3.027 20 0 FGADRP CCCN(C(=O)[C@@H]1CC12CC[NH2+]CC2)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000236744905 497140487 /nfs/dbraw/zinc/14/04/87/497140487.db2.gz RFLPHAZBGKUGLE-RTWAWAEBSA-N 2 0 369.553 3.279 20 0 FGADRP CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000248974378 497142728 /nfs/dbraw/zinc/14/27/28/497142728.db2.gz HHBAEKFGIDIMMO-NHCUHLMSSA-N 2 0 372.557 3.023 20 0 FGADRP Cc1cc(=O)[nH]c([C@@H](C)[NH+]2CCC(C[N@H+](C)Cc3ccccc3)CC2)n1 ZINC000192566714 497151266 /nfs/dbraw/zinc/15/12/66/497151266.db2.gz GLFOXQFKGOBHQS-QGZVFWFLSA-N 2 0 354.498 3.396 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)[C@H]1CC12CC[NH2+]CC2)c1ccccc1Cl ZINC000236834852 497153371 /nfs/dbraw/zinc/15/33/71/497153371.db2.gz KNROYNLPIXKYFO-AEFFLSMTSA-N 2 0 363.933 3.229 20 0 FGADRP C[C@H]([NH2+]CCc1cn2c(n1)SCC2)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274763089 497159816 /nfs/dbraw/zinc/15/98/16/497159816.db2.gz KQRDDBCHZZVSJI-WMZOPIPTSA-N 2 0 356.539 3.032 20 0 FGADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)C[C@H]1C ZINC000249099441 497166613 /nfs/dbraw/zinc/16/66/13/497166613.db2.gz NHYWMCGDHYYZFI-AYWYSENESA-N 2 0 358.526 3.466 20 0 FGADRP C[NH+]1CCN(CCC[NH2+]CCCCc2cccc(C(F)(F)F)c2)CC1 ZINC000192673223 497180552 /nfs/dbraw/zinc/18/05/52/497180552.db2.gz YHWYOXHMHZPLRO-UHFFFAOYSA-N 2 0 357.464 3.255 20 0 FGADRP O[C@H](CN1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1)CC(F)(F)F ZINC000249282554 497187186 /nfs/dbraw/zinc/18/71/86/497187186.db2.gz LCDLHQPWJKXRMX-BZSNNMDCSA-N 2 0 356.432 3.286 20 0 FGADRP C[NH+]1CCN(Cc2ccc(C[NH2+][C@@H]3CCCNc4ccccc43)cc2)CC1 ZINC000192705866 497190431 /nfs/dbraw/zinc/19/04/31/497190431.db2.gz SHWDABFBXAVPPO-HSZRJFAPSA-N 2 0 364.537 3.471 20 0 FGADRP COc1ccc(C[C@@H](C)C[N@H+](C)CCCN2CC[NH+](C(C)C)CC2)cc1 ZINC000192781032 497212563 /nfs/dbraw/zinc/21/25/63/497212563.db2.gz JPNOEFOWHYHIMQ-HXUWFJFHSA-N 2 0 361.574 3.222 20 0 FGADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000249759866 497243849 /nfs/dbraw/zinc/24/38/49/497243849.db2.gz FXWKIGPZYNSPGJ-MOPGFXCFSA-N 2 0 372.557 3.071 20 0 FGADRP Cc1cc(C[NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)ccc1-n1cncn1 ZINC000192924050 497246945 /nfs/dbraw/zinc/24/69/45/497246945.db2.gz OVBUNKMTJZDBAA-NRFANRHFSA-N 2 0 361.493 3.187 20 0 FGADRP COc1cc(C[NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc(OC)c1OC ZINC000192922130 497247066 /nfs/dbraw/zinc/24/70/66/497247066.db2.gz PVNKFCPJUAGDJZ-SFHVURJKSA-N 2 0 370.493 3.324 20 0 FGADRP CC[NH+]1CCC(N[C@H](C)C(=O)Nc2cc(C)c(Cl)cc2OC)CC1 ZINC000266075551 497248522 /nfs/dbraw/zinc/24/85/22/497248522.db2.gz DQDHYQUYVVQWJV-CYBMUJFWSA-N 2 0 353.894 3.058 20 0 FGADRP CC[N@H+](Cc1ccc(C(=O)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc1)C(C)C ZINC000572117393 505894330 /nfs/dbraw/zinc/89/43/30/505894330.db2.gz HPXRXBAAPUHKRO-RTWAWAEBSA-N 2 0 357.542 3.379 20 0 FGADRP C[C@@H](NC(=O)CN1CCC[C@H](C[NH+]2CCC(C)CC2)C1)c1ccccc1 ZINC000250291477 497265472 /nfs/dbraw/zinc/26/54/72/497265472.db2.gz UAXPWBAITGFSAF-WOJBJXKFSA-N 2 0 357.542 3.308 20 0 FGADRP CCCN(CCC[NH+](C)C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000189872901 497275774 /nfs/dbraw/zinc/27/57/74/497275774.db2.gz XOSCWQMDAUDXDH-CTNGQTDRSA-N 2 0 374.573 3.413 20 0 FGADRP Cc1ccccc1C[NH+]1CCC(NC(=O)C[C@H]([NH3+])c2ccccc2)CC1 ZINC000237727899 497282861 /nfs/dbraw/zinc/28/28/61/497282861.db2.gz PTKQTFLJJCRXLC-NRFANRHFSA-N 2 0 351.494 3.166 20 0 FGADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)NC[C@H](C(C)C)[NH+]2CCC(C)CC2)C1 ZINC000252538034 497310116 /nfs/dbraw/zinc/31/01/16/497310116.db2.gz BXVOPBWGJKNYBH-VQTJNVASSA-N 2 0 366.594 3.116 20 0 FGADRP CCC[NH+]1CCC([N@H+](C)C[C@H](O)CO[C@H]2CCCc3ccccc32)CC1 ZINC000252645865 497314036 /nfs/dbraw/zinc/31/40/36/497314036.db2.gz CGPFEWXSQWOYOO-UNMCSNQZSA-N 2 0 360.542 3.248 20 0 FGADRP COc1cc(C)c([C@H](C)[NH2+]C2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)cc1OC ZINC000271500669 497364998 /nfs/dbraw/zinc/36/49/98/497364998.db2.gz LWAFRKYOADQCRJ-SNRMKQJTSA-N 2 0 362.514 3.041 20 0 FGADRP C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000255958575 497381745 /nfs/dbraw/zinc/38/17/45/497381745.db2.gz GXRXXRZOSGAOMF-RBUKOAKNSA-N 2 0 372.557 3.202 20 0 FGADRP C[NH+](C)CCc1ccccc1NC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000275698417 497406761 /nfs/dbraw/zinc/40/67/61/497406761.db2.gz SFNFJSSLZJOXNF-NRFANRHFSA-N 2 0 351.494 3.394 20 0 FGADRP C[C@H](CC(=O)N[C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH2+]C1 ZINC000261575359 497415739 /nfs/dbraw/zinc/41/57/39/497415739.db2.gz BNELUSGHNHJGRL-UKAVVXHISA-N 2 0 357.542 3.039 20 0 FGADRP O=C(NC[C@@H]1CCCN(Cc2ccc(Cl)cc2Cl)C1)[C@@H]1CCC[NH2+]1 ZINC000261597121 497416094 /nfs/dbraw/zinc/41/60/94/497416094.db2.gz ACGFGRHLQROYOI-GUYCJALGSA-N 2 0 370.324 3.074 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2ccc(OC)c(OC)c2)[C@H](C)C1 ZINC000245466351 497420279 /nfs/dbraw/zinc/42/02/79/497420279.db2.gz RDIKAWWXRGUYSO-LMMKCTJWSA-N 2 0 364.530 3.491 20 0 FGADRP CC[C@H](C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cc1)[NH+](CC)CC ZINC000271701636 497423437 /nfs/dbraw/zinc/42/34/37/497423437.db2.gz HNEOTMRXWGKLBO-HXUWFJFHSA-N 2 0 360.546 3.276 20 0 FGADRP C[N@@H+]1CCC[C@@H]2CN(CCOc3ccccc3Br)CC[C@H]21 ZINC000245512946 497436340 /nfs/dbraw/zinc/43/63/40/497436340.db2.gz BLSWXNLJXFANJM-GDBMZVCRSA-N 2 0 353.304 3.244 20 0 FGADRP CC[NH+](CC)[C@H](C(=O)N1CC[C@](C)(C[NH3+])C1)c1cccc(C(F)(F)F)c1 ZINC000261723460 497439396 /nfs/dbraw/zinc/43/93/96/497439396.db2.gz CNIYLUNVBUTXKE-FUHWJXTLSA-N 2 0 371.447 3.286 20 0 FGADRP O=C(NC[C@H]1CCCN(Cc2cccc(Cl)c2Cl)C1)[C@@H]1CCC[NH2+]1 ZINC000261772478 497447851 /nfs/dbraw/zinc/44/78/51/497447851.db2.gz XAZQDBXMWRGOEU-CJNGLKHVSA-N 2 0 370.324 3.074 20 0 FGADRP C[C@H](C(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1)[C@@H]([NH3+])c1ccccc1 ZINC000261848909 497461072 /nfs/dbraw/zinc/46/10/72/497461072.db2.gz WMDFNLPKYVILBI-PGRDOPGGSA-N 2 0 365.521 3.446 20 0 FGADRP C[C@H]1C[NH+](Cc2ccc(-c3nc(C4([NH3+])CCCC4)no3)cc2)C[C@H](C)O1 ZINC000261849378 497461834 /nfs/dbraw/zinc/46/18/34/497461834.db2.gz SSBLYEUQNGGCJC-GJZGRUSLSA-N 2 0 356.470 3.074 20 0 FGADRP C[NH2+]CCC1CC[NH+](Cc2cc3c(cc2Br)OCCO3)CC1 ZINC000261862173 497463829 /nfs/dbraw/zinc/46/38/29/497463829.db2.gz GCFQVVLABYDREJ-UHFFFAOYSA-N 2 0 369.303 3.042 20 0 FGADRP C[C@@H]([NH2+]CCCN1CC[N@H+](C)C[C@H]1c1ccccc1)c1cccc(CO)c1 ZINC000245617202 497475454 /nfs/dbraw/zinc/47/54/54/497475454.db2.gz MBLYMNSVTXMTRA-XXBNENTESA-N 2 0 367.537 3.208 20 0 FGADRP C[C@@H](NC(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+])[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261966814 497483403 /nfs/dbraw/zinc/48/34/03/497483403.db2.gz AXQUUYUONHIPPG-JIQFCALJSA-N 2 0 369.553 3.167 20 0 FGADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)[C@H]2CC23CC[NH2+]CC3)cc1 ZINC000261960554 497483961 /nfs/dbraw/zinc/48/39/61/497483961.db2.gz RTCSPBHOJPFWLJ-FXAWDEMLSA-N 2 0 355.526 3.067 20 0 FGADRP C[NH2+]CCC1CC[NH+](CC(=O)N[C@@H](c2ccccc2)C2CCCC2)CC1 ZINC000261976873 497486573 /nfs/dbraw/zinc/48/65/73/497486573.db2.gz GHGGKAHOGVJISN-QFIPXVFZSA-N 2 0 357.542 3.356 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C2CCN(c3ccccc3)CC2)[C@@H](C)C1 ZINC000271937404 497492719 /nfs/dbraw/zinc/49/27/19/497492719.db2.gz NLGVWEHQFIQTLB-UGKGYDQZSA-N 2 0 359.558 3.382 20 0 FGADRP [NH3+][C@H](Cc1ccccc1)C(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000262098916 497508947 /nfs/dbraw/zinc/50/89/47/497508947.db2.gz BXZOOBUVMZUBID-WOJBJXKFSA-N 2 0 371.912 3.163 20 0 FGADRP CC(C)[C@H](NC(=O)C[N@@H+]1CC[C@H](C)[C@@H](n2ccnc2)C1)c1ccccc1 ZINC000245727042 497518494 /nfs/dbraw/zinc/51/84/94/497518494.db2.gz VLXAOQFFXAGPRT-CUWPLCDZSA-N 2 0 354.498 3.280 20 0 FGADRP C[C@H](CCc1ccc(C(F)(F)F)cc1)[NH2+]C[C@@H](C)N1CC[NH+](C)CC1 ZINC000193981923 497538610 /nfs/dbraw/zinc/53/86/10/497538610.db2.gz QFLBWADUCSYPKR-HZPDHXFCSA-N 2 0 357.464 3.252 20 0 FGADRP C[C@H](CCc1ccc(C(F)(F)F)cc1)[NH2+]C[C@H](C)CN1CC[NH+](C)CC1 ZINC000193981323 497539221 /nfs/dbraw/zinc/53/92/21/497539221.db2.gz LSPABZASFHUBKJ-DLBZAZTESA-N 2 0 371.491 3.500 20 0 FGADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CCC[C@H]2c2nc3ccccc3n2C)CC1 ZINC000276305899 497541204 /nfs/dbraw/zinc/54/12/04/497541204.db2.gz KYSSMUDLATWSGF-NRFANRHFSA-N 2 0 369.557 3.126 20 0 FGADRP CC1(C)[C@H]([NH2+]CCCC[NH+]2CCN(c3ccccc3)CC2)[C@H]2CCCO[C@H]21 ZINC000245849136 497549701 /nfs/dbraw/zinc/54/97/01/497549701.db2.gz GARLKEJVWVKZJZ-YPAWHYETSA-N 2 0 371.569 3.382 20 0 FGADRP CN(c1ccccc1C[N@H+](C)C[C@H]1CCCC[C@H]1O)C1CC[NH+](C)CC1 ZINC000245923951 497572463 /nfs/dbraw/zinc/57/24/63/497572463.db2.gz HJUBYRLHBXQXTD-DENIHFKCSA-N 2 0 359.558 3.200 20 0 FGADRP C[NH+](C)CCc1ccccc1NC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000276453227 497578107 /nfs/dbraw/zinc/57/81/07/497578107.db2.gz LXJFZBUIBZDMHA-LEWJYISDSA-N 2 0 366.509 3.358 20 0 FGADRP CC[NH+](CC)CCN(Cc1cccs1)C(=O)C[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000262631505 497587721 /nfs/dbraw/zinc/58/77/21/497587721.db2.gz FLODNNMGJVQKAG-MSOLQXFVSA-N 2 0 365.587 3.444 20 0 FGADRP CC[NH+](CC)CCOc1ccccc1CNC(=O)[C@H]([NH3+])c1ccc(C)cc1 ZINC000262652921 497592161 /nfs/dbraw/zinc/59/21/61/497592161.db2.gz LQYCEIZVSYCVSK-OAQYLSRUSA-N 2 0 369.509 3.032 20 0 FGADRP COC[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1ccc(Cl)cc1 ZINC000194169346 497592498 /nfs/dbraw/zinc/59/24/98/497592498.db2.gz BLOCTZJDGSQMTG-SFTDATJTSA-N 2 0 374.912 3.384 20 0 FGADRP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C[C@H](C)C1CC[NH2+]CC1 ZINC000262657852 497593207 /nfs/dbraw/zinc/59/32/07/497593207.db2.gz VRIZSFKEYWYDGX-PZJWPPBQSA-N 2 0 371.569 3.383 20 0 FGADRP C[C@@H](CC(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1)C1CC[NH2+]CC1 ZINC000262659765 497594549 /nfs/dbraw/zinc/59/45/49/497594549.db2.gz NJWPZSOZPLNYFJ-SFHVURJKSA-N 2 0 357.542 3.135 20 0 FGADRP CC[NH+](CC)CCOc1ccc(NC(=O)[C@@H]([NH3+])c2ccc(C)cc2)cc1 ZINC000262670193 497595655 /nfs/dbraw/zinc/59/56/55/497595655.db2.gz RIFSJHUQGKSJCT-FQEVSTJZSA-N 2 0 355.482 3.354 20 0 FGADRP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)NCC[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000578334566 505917324 /nfs/dbraw/zinc/91/73/24/505917324.db2.gz IBQNWUSTRLDVJJ-MMKMLUHNSA-N 2 0 372.557 3.198 20 0 FGADRP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)NCC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000578334565 505917346 /nfs/dbraw/zinc/91/73/46/505917346.db2.gz IBQNWUSTRLDVJJ-JYRKZWEQSA-N 2 0 372.557 3.198 20 0 FGADRP C[N@@H+]1CC[C@H]2CCN(C(=O)Nc3ccc(CC[NH+]4CCCCC4)cc3)[C@@H]2C1 ZINC000272390034 497616008 /nfs/dbraw/zinc/61/60/08/497616008.db2.gz ISKBOIWIFNERMF-PZJWPPBQSA-N 2 0 370.541 3.273 20 0 FGADRP C[NH+]1CCC(O)(C[NH2+][C@H](c2ccc(Br)cc2F)C2CC2)CC1 ZINC000280014870 497620710 /nfs/dbraw/zinc/62/07/10/497620710.db2.gz GZFCGRIHYSCVNR-INIZCTEOSA-N 2 0 371.294 3.086 20 0 FGADRP CCCCc1nc2cc(NC(=O)[C@@]3([NH3+])C[C@H](OCC)C3(C)C)ccc2[nH]1 ZINC000262811390 497626238 /nfs/dbraw/zinc/62/62/38/497626238.db2.gz VGMIUSLYHWRZIS-JXFKEZNVSA-N 2 0 358.486 3.377 20 0 FGADRP CCO[C@@H](CC[NH+](C)C)C[NH2+]Cc1ccccc1OCc1cccnc1 ZINC000267847680 497629663 /nfs/dbraw/zinc/62/96/63/497629663.db2.gz DKSBIWFKQOYFJM-FQEVSTJZSA-N 2 0 357.498 3.107 20 0 FGADRP CNC(=O)c1cccc(C[NH2+][C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000272463084 497634615 /nfs/dbraw/zinc/63/46/15/497634615.db2.gz KPEAEMZLYSJHTE-DYESRHJHSA-N 2 0 351.494 3.046 20 0 FGADRP C[NH+](C)CCOc1ccccc1C[NH2+]Cc1ccnn1-c1ccc(F)cc1 ZINC000280092361 497646853 /nfs/dbraw/zinc/64/68/53/497646853.db2.gz ZEJXEEDJEHWCJE-UHFFFAOYSA-N 2 0 368.456 3.242 20 0 FGADRP C[C@@H]([NH2+]CCCN1C[C@@H](C)O[C@@H](C)C1)c1nc2ccc(Cl)cc2n1C ZINC000246188060 497653207 /nfs/dbraw/zinc/65/32/07/497653207.db2.gz WWUFHGLCYFYUKF-QLFBSQMISA-N 2 0 364.921 3.377 20 0 FGADRP C[C@H](NCC1([NH+]2CCCC2)CCOCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272550643 497658585 /nfs/dbraw/zinc/65/85/85/497658585.db2.gz FENQLWKXDRZVPL-RBBKRZOGSA-N 2 0 371.569 3.132 20 0 FGADRP COc1cccc([C@H](O)C[NH2+][C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000272557264 497662058 /nfs/dbraw/zinc/66/20/58/497662058.db2.gz TZLBUWSBPRRTBG-PIPMEXSNSA-N 2 0 354.494 3.229 20 0 FGADRP CCC[N@H+](C)C[C@@H]1CCN(CC(=O)NC[C@H](c2ccccc2)C(C)C)C1 ZINC000246222154 497666359 /nfs/dbraw/zinc/66/63/59/497666359.db2.gz PDEZOIGFJQAKLE-FPOVZHCZSA-N 2 0 359.558 3.206 20 0 FGADRP CCC[N@H+](C)C[C@@H]1CCN([C@H](C)C(=O)N2c3ccccc3CC[C@H]2C)C1 ZINC000246232673 497669767 /nfs/dbraw/zinc/66/97/67/497669767.db2.gz QKSANHOUPMHWOI-QRVBRYPASA-N 2 0 357.542 3.407 20 0 FGADRP COc1ccc(OCc2ccccn2)c(C[NH2+]CC2(C)CC[NH+](C)CC2)c1 ZINC000272587427 497671755 /nfs/dbraw/zinc/67/17/55/497671755.db2.gz QMUKWCWFMKHIKQ-UHFFFAOYSA-N 2 0 369.509 3.491 20 0 FGADRP CC[NH+](CC)Cc1ccccc1C[NH2+]Cc1ccc(N(C)CCOC)nc1 ZINC000276860028 497673067 /nfs/dbraw/zinc/67/30/67/497673067.db2.gz AQGSZSZYOYFXBY-UHFFFAOYSA-N 2 0 370.541 3.296 20 0 FGADRP Cc1ccc([C@@H](CNC(=O)N2CCC(C[NH+]3CCCC3)CC2)[NH+](C)C)cc1 ZINC000194470644 497677696 /nfs/dbraw/zinc/67/76/96/497677696.db2.gz HWTYPHWPBYPBCD-OAQYLSRUSA-N 2 0 372.557 3.115 20 0 FGADRP C[C@@H]1CC[N@H+](CCOc2ccc(NC(=O)[C@@H]3CCCC[C@]3(C)[NH3+])cc2)C1 ZINC000263122456 497710793 /nfs/dbraw/zinc/71/07/93/497710793.db2.gz BAWCILLNFXKSPI-PBEJRMEISA-N 2 0 359.514 3.253 20 0 FGADRP C[C@H]([NH2+][C@H]1CCO[C@@]2(CCSC2)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000246376282 497713269 /nfs/dbraw/zinc/71/32/69/497713269.db2.gz JSPASEWFMFRLMN-QRFRQXIXSA-N 2 0 364.555 3.332 20 0 FGADRP C[C@@H]1CN(CCC[NH+]2CCCCC2)C[C@H](C)N1CCC[NH+]1CCCCC1 ZINC000191150692 497725199 /nfs/dbraw/zinc/72/51/99/497725199.db2.gz MTORNBLYJYFDQJ-SZPZYZBQSA-N 2 0 364.622 3.133 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NCCCC[NH+]2C[C@H](C)C[C@@H](C)C2)[C@@H](C)C1 ZINC000246427049 497731084 /nfs/dbraw/zinc/73/10/84/497731084.db2.gz MHITVUGLDPKZFK-ZRNYENFQSA-N 2 0 366.594 3.116 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NCCCC[NH+]2C[C@H](C)C[C@@H](C)C2)[C@H](C)C1 ZINC000246427023 497731131 /nfs/dbraw/zinc/73/11/31/497731131.db2.gz MHITVUGLDPKZFK-WTGUMLROSA-N 2 0 366.594 3.116 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NCC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)[C@H](C)C1 ZINC000246430618 497732684 /nfs/dbraw/zinc/73/26/84/497732684.db2.gz MOUPDWGPUZYMPJ-MKXGPGLRSA-N 2 0 366.594 3.115 20 0 FGADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)NC[C@H]2CCC[NH+]2Cc2ccccc2)C1 ZINC000246444860 497736377 /nfs/dbraw/zinc/73/63/77/497736377.db2.gz UINAKJNJJNZVTJ-NHCUHLMSSA-N 2 0 372.557 3.024 20 0 FGADRP C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)[C@H]2CCCC[C@]2(C)[NH3+])C1 ZINC000263281780 497748491 /nfs/dbraw/zinc/74/84/91/497748491.db2.gz UJSBWRCTYZCJTD-ZNLUXHQJSA-N 2 0 357.542 3.442 20 0 FGADRP CC(C)[NH+]1CCC(O)(C[NH2+]Cc2ccc(OC(F)F)c(Cl)c2)CC1 ZINC000268452709 497754836 /nfs/dbraw/zinc/75/48/36/497754836.db2.gz WHKKFESRGITVKO-UHFFFAOYSA-N 2 0 362.848 3.266 20 0 FGADRP C[C@@]1([NH3+])CCCC[C@H]1C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000263310247 497754989 /nfs/dbraw/zinc/75/49/89/497754989.db2.gz YLRXVWMQYKYJJI-AZUAARDMSA-N 2 0 361.555 3.124 20 0 FGADRP CC(C)[N@@H+]1[C@@H]2CC[C@H]1CN(C(=O)NC[C@@H](C)[NH+](C)Cc1ccccc1)CC2 ZINC000246533975 497766512 /nfs/dbraw/zinc/76/65/12/497766512.db2.gz XWRSUFJVMURFEX-NRSPTQNISA-N 2 0 372.557 3.164 20 0 FGADRP C[C@H](C(=O)Nc1cccc(C[NH+]2CCSCC2)c1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000246537518 497768567 /nfs/dbraw/zinc/76/85/67/497768567.db2.gz XEDRRHBLOWXAAE-IXDOHACOSA-N 2 0 361.555 3.435 20 0 FGADRP CN(c1ccccc1C[NH+]1CCC(CCCO)CC1)C1CC[NH+](C)CC1 ZINC000272960111 497771659 /nfs/dbraw/zinc/77/16/59/497771659.db2.gz PRRACPNEJGMOEB-UHFFFAOYSA-N 2 0 359.558 3.202 20 0 FGADRP COc1cccc(C[C@H]([NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)C2CC2)c1 ZINC000246554250 497772207 /nfs/dbraw/zinc/77/22/07/497772207.db2.gz WSOPXFOSSFBTDV-YTFSRNRJSA-N 2 0 372.553 3.374 20 0 FGADRP CC1CC[NH+](Cc2ccc(NC(=O)c3csc(CC[NH3+])n3)cc2)CC1 ZINC000194827499 497783847 /nfs/dbraw/zinc/78/38/47/497783847.db2.gz OZEAVTYLITXDGA-UHFFFAOYSA-N 2 0 358.511 3.129 20 0 FGADRP C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2[NH2+]CCc3ccccc32)[C@H]1c1cccs1 ZINC000246729291 497805107 /nfs/dbraw/zinc/80/51/07/497805107.db2.gz YDVQGKHRZROMCK-UXPWSPDFSA-N 2 0 369.534 3.134 20 0 FGADRP Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)CC1CC[NH+](C)CC1 ZINC000273173816 497806477 /nfs/dbraw/zinc/80/64/77/497806477.db2.gz FJBJBGBOZMAEOR-UHFFFAOYSA-N 2 0 361.555 3.214 20 0 FGADRP C[C@H](CC(=O)Nc1cccc(F)c1)[NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000246825593 497814032 /nfs/dbraw/zinc/81/40/32/497814032.db2.gz AEZNJUXZZSOCFY-BRWVUGGUSA-N 2 0 365.493 3.022 20 0 FGADRP C[C@@H]([NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc2c(c1)OCCCO2 ZINC000246924735 497820406 /nfs/dbraw/zinc/82/04/06/497820406.db2.gz GQCIQDHXRUBPRY-FGTMMUONSA-N 2 0 362.514 3.388 20 0 FGADRP C[NH+](C)C[C@@H](NC(=O)Nc1ccc2c(c1)C[NH2+]C2)c1ccc(Cl)cc1 ZINC000581239969 505941183 /nfs/dbraw/zinc/94/11/83/505941183.db2.gz ULRFSUXCUSPKMZ-GOSISDBHSA-N 2 0 358.873 3.368 20 0 FGADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCC[C@H]1c1c(C)nn(C)c1C ZINC000329757650 497890613 /nfs/dbraw/zinc/89/06/13/497890613.db2.gz NCNOKPIJQACHOY-IBGZPJMESA-N 2 0 350.470 3.263 20 0 FGADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+][C@H]1CCc2nc(-c3ccc(F)cc3F)cn2C1 ZINC000575242583 505950003 /nfs/dbraw/zinc/95/00/03/505950003.db2.gz VFXZGOCMBSCHLH-BMGDILEWSA-N 2 0 360.452 3.393 20 0 FGADRP Cn1cc(CC[NH2+][C@@H]2CCCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)cn1 ZINC000581340091 505965148 /nfs/dbraw/zinc/96/51/48/505965148.db2.gz DOUBVKZKGPCQPH-BHDDXSALSA-N 2 0 352.526 3.243 20 0 FGADRP CC(C)(C)c1ccc(OC[C@@H](O)C[NH2+]CC2CC[NH+](C3CC3)CC2)cc1 ZINC000569596169 505972953 /nfs/dbraw/zinc/97/29/53/505972953.db2.gz YDNFWKCFKMUMOC-FQEVSTJZSA-N 2 0 360.542 3.188 20 0 FGADRP C[N@@H+]1CCCC12CCN(C(=O)c1ccc(C[NH+]3CCCCC3)cc1)CC2 ZINC000364651525 498069280 /nfs/dbraw/zinc/06/92/80/498069280.db2.gz QBGDUYIOACIOFB-UHFFFAOYSA-N 2 0 355.526 3.373 20 0 FGADRP Cc1cc(C[NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)cc(C)c1O ZINC000289302173 498097048 /nfs/dbraw/zinc/09/70/48/498097048.db2.gz RBDAMMUNUZALSL-UHFFFAOYSA-N 2 0 354.494 3.256 20 0 FGADRP c1ccc(CN2CCSC[C@H]2C[NH2+]C2CC[NH+](CC3CC3)CC2)cc1 ZINC000569651454 505984099 /nfs/dbraw/zinc/98/40/99/505984099.db2.gz YBCTYBOEGQNINP-OAQYLSRUSA-N 2 0 359.583 3.068 20 0 FGADRP C[C@@H](c1cc2ccccc2o1)N(C)C(=O)CN1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000292868218 498177060 /nfs/dbraw/zinc/17/70/60/498177060.db2.gz CYUXMOMRLCWLKE-JTSKRJEESA-N 2 0 369.509 3.370 20 0 FGADRP Cc1ncc(CN2CC[C@H]([NH2+][C@H](C)C(=O)Nc3ccccc3)[C@H](C)C2)s1 ZINC000364920122 498209672 /nfs/dbraw/zinc/20/96/72/498209672.db2.gz YLZUFCNCQJZDEM-CLCXKQKWSA-N 2 0 372.538 3.279 20 0 FGADRP c1ccc(CC[NH+]2CCCC3(CCC[N@@H+](CCc4ccccn4)C3)C2)nc1 ZINC000289608219 498215903 /nfs/dbraw/zinc/21/59/03/498215903.db2.gz YEAPOPGQGVAYNA-UHFFFAOYSA-N 2 0 364.537 3.440 20 0 FGADRP C[C@]1([NH3+])CCCC[C@@H]1C(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000569720726 506001223 /nfs/dbraw/zinc/00/12/23/506001223.db2.gz ROJPUFHVKJCKOQ-IRLDBZIGSA-N 2 0 369.553 3.409 20 0 FGADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]C[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000289679760 498244361 /nfs/dbraw/zinc/24/43/61/498244361.db2.gz MSZSAUXJEQZIHB-JKSUJKDBSA-N 2 0 357.464 3.425 20 0 FGADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H](C)Cc1cccc(C(F)(F)F)c1 ZINC000281739315 498252581 /nfs/dbraw/zinc/25/25/81/498252581.db2.gz VKDFXBRCCOFZOG-HOTGVXAUSA-N 2 0 357.464 3.252 20 0 FGADRP CCCN(CC[NH+]1CCCCCC1)C(=O)NCC1CC[NH+](CC)CC1 ZINC000569753358 506007650 /nfs/dbraw/zinc/00/76/50/506007650.db2.gz BNEZUCODUYXYDP-UHFFFAOYSA-N 2 0 352.567 3.016 20 0 FGADRP Cc1[nH+]c2ccccc2c(N2CC[C@H]([NH+]3CCN(C)CC3)[C@H](C)C2)c1C ZINC000360384967 498270811 /nfs/dbraw/zinc/27/08/11/498270811.db2.gz JXWVOXMIWKGAQF-IERDGZPVSA-N 2 0 352.526 3.314 20 0 FGADRP Cn1cncc1CCCN1CCCC[C@@H]1c1nnc(CC(F)(F)F)o1 ZINC000572613815 506012544 /nfs/dbraw/zinc/01/25/44/506012544.db2.gz OGRSTFFUPIUIHY-CYBMUJFWSA-N 2 0 357.380 3.068 20 0 FGADRP C[C@@H](C[NH2+][C@H]1CCCOc2cc(Cl)ccc21)CN1CC[NH+](C)CC1 ZINC000361050746 498338828 /nfs/dbraw/zinc/33/88/28/498338828.db2.gz VTARBEUVICHMFV-YJBOKZPZSA-N 2 0 351.922 3.027 20 0 FGADRP C[C@@H]([NH2+][C@H]1CCCO[C@@H]1c1cnn(C)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000289931863 498357390 /nfs/dbraw/zinc/35/73/90/498357390.db2.gz YYQHILXDSZZQSS-CMCXCUNFSA-N 2 0 368.525 3.140 20 0 FGADRP C[C@H](CC(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1)C1CC[NH2+]CC1 ZINC000361717828 498423346 /nfs/dbraw/zinc/42/33/46/498423346.db2.gz ITPHAGZPJNCUSG-WRWLIDTKSA-N 2 0 363.571 3.273 20 0 FGADRP C[NH+](C)CCCOc1cnccc1C[NH2+][C@@H]1CCCOc2ccccc21 ZINC000290147380 498442022 /nfs/dbraw/zinc/44/20/22/498442022.db2.gz CLTCCJWEINDAPC-LJQANCHMSA-N 2 0 355.482 3.416 20 0 FGADRP C[C@H]([NH2+]C1CCN(CC(=O)N2CCCC2)CC1)c1ccc(F)c(Cl)c1 ZINC000362203248 498475557 /nfs/dbraw/zinc/47/55/57/498475557.db2.gz UPQUXJSJDVUBEX-AWEZNQCLSA-N 2 0 367.896 3.217 20 0 FGADRP Cc1oc(-c2cccs2)nc1CN1CCC[C@H](C[NH+]2CCN(C)CC2)C1 ZINC000362254645 498482295 /nfs/dbraw/zinc/48/22/95/498482295.db2.gz HTALOVIJYCRDRX-QGZVFWFLSA-N 2 0 374.554 3.171 20 0 FGADRP Cc1ccccc1-c1noc([C@H](C)[NH+]2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)n1 ZINC000572741706 506041630 /nfs/dbraw/zinc/04/16/30/506041630.db2.gz YLXYLMXWSZVFMC-IEZWGBDMSA-N 2 0 370.497 3.324 20 0 FGADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@H]1CCc2sc(Br)cc21 ZINC000293986256 498552879 /nfs/dbraw/zinc/55/28/79/498552879.db2.gz BRYXHNFIKZBJQL-OCCSQVGLSA-N 2 0 372.376 3.114 20 0 FGADRP CC(C)[C@]1(CO)CC[N@H+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)C1 ZINC000365614361 498558319 /nfs/dbraw/zinc/55/83/19/498558319.db2.gz GJIPEUCAZRJLKQ-JOCHJYFZSA-N 2 0 359.558 3.057 20 0 FGADRP CCC[NH+](CCC)CCCC(=O)N(C)C1CC[NH+](Cc2ccncc2)CC1 ZINC000362847368 498565215 /nfs/dbraw/zinc/56/52/15/498565215.db2.gz MWIITZRNBMYDFE-UHFFFAOYSA-N 2 0 374.573 3.407 20 0 FGADRP C[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@H+](C)[C@H]2c2cccc(Cl)c2)CC1 ZINC000362891508 498574136 /nfs/dbraw/zinc/57/41/36/498574136.db2.gz WPEGGXWABCHCID-HKUYNNGSSA-N 2 0 363.933 3.181 20 0 FGADRP C[NH+]1CCC(C(=O)NC[C@H]2CCC[N@H+](C)[C@H]2c2cccc(Cl)c2)CC1 ZINC000362891509 498574985 /nfs/dbraw/zinc/57/49/85/498574985.db2.gz WPEGGXWABCHCID-MJGOQNOKSA-N 2 0 363.933 3.181 20 0 FGADRP CN(CCC[N@H+](C)Cc1ccco1)C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000286999012 498585355 /nfs/dbraw/zinc/58/53/55/498585355.db2.gz TYHHYJWPGMMICW-UHFFFAOYSA-N 2 0 364.534 3.006 20 0 FGADRP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NCCCC[NH+]1C[C@H](C)C[C@H](C)C1 ZINC000303012731 498638580 /nfs/dbraw/zinc/63/85/80/498638580.db2.gz PBLURLWLWWIFJR-YSTOQKLRSA-N 2 0 366.594 3.164 20 0 FGADRP C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)NCCCC[NH+]1C[C@H](C)C[C@H](C)C1 ZINC000303012730 498639339 /nfs/dbraw/zinc/63/93/39/498639339.db2.gz PBLURLWLWWIFJR-VNTMZGSJSA-N 2 0 366.594 3.164 20 0 FGADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)Nc1cc(Cl)ccc1OC1CC[NH+](C)CC1 ZINC000581824492 506068413 /nfs/dbraw/zinc/06/84/13/506068413.db2.gz MULHUJFFPFNEEX-CHWSQXEVSA-N 2 0 368.909 3.060 20 0 FGADRP Fc1ccc(C2OCCO2)c(Cl)c1CN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000365835253 498661549 /nfs/dbraw/zinc/66/15/49/498661549.db2.gz DEBMHHSOPCVZAY-CHWSQXEVSA-N 2 0 354.853 3.241 20 0 FGADRP O=C(CC[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)Nc1cccc(C(F)(F)F)c1 ZINC000572881715 506074449 /nfs/dbraw/zinc/07/44/49/506074449.db2.gz FNHPDYFFGXFZRD-CABCVRRESA-N 2 0 369.431 3.356 20 0 FGADRP CC(C)[NH+]1CCC(NC(=O)C[NH+]2CCC(CCc3ccccc3)CC2)CC1 ZINC000303594711 498695810 /nfs/dbraw/zinc/69/58/10/498695810.db2.gz SZHMAZABVTVWNY-UHFFFAOYSA-N 2 0 371.569 3.320 20 0 FGADRP Cc1nc2ccccc2n1CCCNC(=O)N1CC[C@@H]([NH+]2CCCC2)[C@H]1C ZINC000287324422 498716599 /nfs/dbraw/zinc/71/65/99/498716599.db2.gz XTBSUTSNAFAWCZ-VQIMIIECSA-N 2 0 369.513 3.003 20 0 FGADRP C[NH+](C)Cc1ccccc1C(=O)NC[C@H]1CC[N@H+](C)[C@H]1c1cccs1 ZINC000366001224 498726254 /nfs/dbraw/zinc/72/62/54/498726254.db2.gz NUFVMKNMCIRPCO-DNVCBOLYSA-N 2 0 357.523 3.233 20 0 FGADRP CCOc1cc(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)cc(Br)c1O ZINC000298384801 498751976 /nfs/dbraw/zinc/75/19/76/498751976.db2.gz DPLKOJHTXPUVKD-GFCCVEGCSA-N 2 0 369.303 3.127 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)NC[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000572944664 506089822 /nfs/dbraw/zinc/08/98/22/506089822.db2.gz WMSNJWWSIXQXLF-RLLQIKCJSA-N 2 0 364.578 3.190 20 0 FGADRP C[C@H](c1nc(C2CC2)no1)N1CCC2(C[C@H]2N(C)Cc2nccs2)CC1 ZINC000283120411 498787403 /nfs/dbraw/zinc/78/74/03/498787403.db2.gz MYCWECSPHIEVOX-UKRRQHHQSA-N 2 0 373.526 3.451 20 0 FGADRP CC(C)[N@H+](C)CC1CC[NH+](C[C@H](C)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC000581924508 506091157 /nfs/dbraw/zinc/09/11/57/506091157.db2.gz NHJFKNORHSVWFW-KRWDZBQOSA-N 2 0 366.571 3.246 20 0 FGADRP COC(=O)CCC[NH+]1CCC(N[C@H](c2ccco2)c2ccccc2)CC1 ZINC000366147819 498797781 /nfs/dbraw/zinc/79/77/81/498797781.db2.gz UIAAMUDPQOCCRN-NRFANRHFSA-N 2 0 356.466 3.376 20 0 FGADRP C[C@H]([NH2+]Cc1ccccc1OCC[NH+](C)C)c1cccc(-n2ccnn2)c1 ZINC000287597745 498809374 /nfs/dbraw/zinc/80/93/74/498809374.db2.gz ILEIEMBDGBXZLN-KRWDZBQOSA-N 2 0 365.481 3.059 20 0 FGADRP C[NH+]1CCC(CC[NH2+]C[C@H](O)COc2ccc(Cl)c(Cl)c2)CC1 ZINC000323361273 498821748 /nfs/dbraw/zinc/82/17/48/498821748.db2.gz BYYOAOWRLHOPGD-AWEZNQCLSA-N 2 0 361.313 3.055 20 0 FGADRP C[C@H]([NH2+]C(C)(C)CNC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccccc1 ZINC000287648173 498824939 /nfs/dbraw/zinc/82/49/39/498824939.db2.gz QGSQPBJUTXSNQB-DAABDDCCSA-N 2 0 372.557 3.382 20 0 FGADRP CC(C)(C)c1cn2c(n1)CC[C@@H](NC(=O)[C@H]1CC[N@@H+](C3CCCCC3)C1)C2 ZINC000332968928 498851249 /nfs/dbraw/zinc/85/12/49/498851249.db2.gz JAXBANZNSHMKCY-DLBZAZTESA-N 2 0 372.557 3.266 20 0 FGADRP C/C(=C\c1ccccc1)C[NH2+]Cc1c(C)nn(C)c1N1CCC[N@H+](C)CC1 ZINC000363535185 498867296 /nfs/dbraw/zinc/86/72/96/498867296.db2.gz QAQLLHDUUHGONF-OBGWFSINSA-N 2 0 367.541 3.064 20 0 FGADRP C[NH+](C)CCOCC[NH2+][C@@H]1CCCc2nc(-c3ccccc3F)sc21 ZINC000576218170 506104823 /nfs/dbraw/zinc/10/48/23/506104823.db2.gz LIHYJASWLIWVFL-MRXNPFEDSA-N 2 0 363.502 3.494 20 0 FGADRP C[N@@H+]1CC[C@@H](CNC(=O)CCCCCC[NH3+])[C@H]1c1cccc(Cl)c1 ZINC000366324462 498874441 /nfs/dbraw/zinc/87/44/41/498874441.db2.gz AXZPMEWSEVEKRG-QFBILLFUSA-N 2 0 351.922 3.358 20 0 FGADRP O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)N1CCC([NH2+]C2CCCC2)CC1 ZINC000366333494 498878300 /nfs/dbraw/zinc/87/83/00/498878300.db2.gz NJLNIGNXCYWZJG-LJQANCHMSA-N 2 0 374.529 3.123 20 0 FGADRP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000333162298 498920270 /nfs/dbraw/zinc/92/02/70/498920270.db2.gz GQGGVHTYCHFYMM-KXEVLKFVSA-N 2 0 370.541 3.093 20 0 FGADRP C[NH+](C)CCCCCCCNC(=O)N1CCC([NH2+]C2CCCC2)CC1 ZINC000366454919 498934856 /nfs/dbraw/zinc/93/48/56/498934856.db2.gz FXZBRVFHWZMZJK-UHFFFAOYSA-N 2 0 352.567 3.205 20 0 FGADRP CN(C)CC[NH+]1CCC(C[NH2+][C@H]2CCCc3c4ccccc4[nH]c32)CC1 ZINC000582026594 506115500 /nfs/dbraw/zinc/11/55/00/506115500.db2.gz ORJOCBJJJIVJRA-NRFANRHFSA-N 2 0 354.542 3.409 20 0 FGADRP CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)[C@@H](C)[NH2+]C(C)(C)CC)c1 ZINC000288111809 498946343 /nfs/dbraw/zinc/94/63/43/498946343.db2.gz HMLOVEOMILUPPV-OAHLLOKOSA-N 2 0 362.518 3.072 20 0 FGADRP CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)[C@H](C)[NH2+]C(C)(C)CC)c1 ZINC000288111807 498946681 /nfs/dbraw/zinc/94/66/81/498946681.db2.gz HMLOVEOMILUPPV-HNNXBMFYSA-N 2 0 362.518 3.072 20 0 FGADRP C[N@@H+]1CC[C@@]2(CC[NH+](CC[C@H]3CCCN(C(=O)OC(C)(C)C)C3)C2)C1 ZINC000366532918 498968798 /nfs/dbraw/zinc/96/87/98/498968798.db2.gz GCRILSJTDRJVIX-YLJYHZDGSA-N 2 0 351.535 3.051 20 0 FGADRP CC(C)c1nccn1Cc1cccc(NC(=O)NC[C@H]2CCC[N@@H+]2C)c1 ZINC000299242048 499003555 /nfs/dbraw/zinc/00/35/55/499003555.db2.gz KKFLDWIZBCOENJ-GOSISDBHSA-N 2 0 355.486 3.271 20 0 FGADRP [NH3+]CCC1CC[NH+](Cc2cc(Cl)ccc2OC[C@H]2CCCO2)CC1 ZINC000579237197 506126504 /nfs/dbraw/zinc/12/65/04/506126504.db2.gz YIRITVADUQTDML-GOSISDBHSA-N 2 0 352.906 3.459 20 0 FGADRP COc1cccc(C[NH2+]Cc2ccc(OC3CC[NH+](C)CC3)cc2)c1OC ZINC000284180706 499064511 /nfs/dbraw/zinc/06/45/11/499064511.db2.gz XOGAENGQCLKCHP-UHFFFAOYSA-N 2 0 370.493 3.467 20 0 FGADRP CC(C)[C@H](C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1)c1ccccc1 ZINC000570279935 506131788 /nfs/dbraw/zinc/13/17/88/506131788.db2.gz RQMGUYKYAYWZAA-HLAWJBBLSA-N 2 0 357.542 3.006 20 0 FGADRP C[C@@H]1C[N@H+](CCSc2ccc(Cl)cc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000367029916 499135997 /nfs/dbraw/zinc/13/59/97/499135997.db2.gz OGTWCDWEFHIRTM-APWZRJJASA-N 2 0 367.990 3.390 20 0 FGADRP CN1CCC([NH+]2CCC(CCNC(=O)[C@H]3CCCC(F)(F)C3)CC2)CC1 ZINC000367071884 499143749 /nfs/dbraw/zinc/14/37/49/499143749.db2.gz LRCWQXZBINNTDL-KRWDZBQOSA-N 2 0 371.516 3.124 20 0 FGADRP Cc1nccn1CCCC[N@@H+]1CCC[C@H](C(=O)Nc2ncccc2C)C1 ZINC000367209842 499161753 /nfs/dbraw/zinc/16/17/53/499161753.db2.gz WCRXLEDXIHKKTR-SFHVURJKSA-N 2 0 355.486 3.026 20 0 FGADRP C[NH+](C)[C@H](CNC(=O)NCCCC[N@H+](C)C1CC1)c1ccc(Cl)cc1 ZINC000573180494 506137072 /nfs/dbraw/zinc/13/70/72/506137072.db2.gz RJRCNCHJBVJUJC-GOSISDBHSA-N 2 0 366.937 3.116 20 0 FGADRP O=C(NCc1nccn1CCCc1ccccc1)[C@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC000370241263 499200993 /nfs/dbraw/zinc/20/09/93/499200993.db2.gz CFKVDMJUDNRWEO-PMACEKPBSA-N 2 0 366.509 3.007 20 0 FGADRP COC(=O)N1CCC(C[NH2+]C2CC[NH+](CC3CCCCC3)CC2)CC1 ZINC000367518601 499208157 /nfs/dbraw/zinc/20/81/57/499208157.db2.gz JIKQGLDLDZFNLX-UHFFFAOYSA-N 2 0 351.535 3.099 20 0 FGADRP C[N@H+](CCCCCn1nnc(-c2ccccc2)n1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000367587008 499215243 /nfs/dbraw/zinc/21/52/43/499215243.db2.gz QWCVDFOTZAVJIK-YOFSQIOKSA-N 2 0 368.529 3.067 20 0 FGADRP Cc1nc(C(C)C)sc1[C@@H](C)[NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000370624170 499236871 /nfs/dbraw/zinc/23/68/71/499236871.db2.gz HOOCEVODSVHHQB-GDBMZVCRSA-N 2 0 350.576 3.394 20 0 FGADRP CC[C@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccccc1OC(F)F ZINC000370635228 499238103 /nfs/dbraw/zinc/23/81/03/499238103.db2.gz OIERNKGZUXSONS-QAPCUYQASA-N 2 0 367.484 3.497 20 0 FGADRP Cn1cc(-c2ccccc2C[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cn1 ZINC000573197491 506140845 /nfs/dbraw/zinc/14/08/45/506140845.db2.gz DBVQSQJAKYYGMK-GGAORHGYSA-N 2 0 374.488 3.433 20 0 FGADRP C[C@@H](Cc1c(Cl)cccc1Cl)[NH2+]Cc1nnc(C2CC[NH2+]CC2)[nH]1 ZINC000570322192 506141757 /nfs/dbraw/zinc/14/17/57/506141757.db2.gz ZYSNBWFNYQOHTF-NSHDSACASA-N 2 0 368.312 3.299 20 0 FGADRP C[C@H]1C[C@H](CNC(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)C[NH+]1Cc1ccccc1 ZINC000371007209 499279734 /nfs/dbraw/zinc/27/97/34/499279734.db2.gz HJPWJQURIHSGRT-KOUHRCEDSA-N 2 0 372.557 3.021 20 0 FGADRP C[N@@H+](Cc1c[nH]nc1-c1cccnc1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000368305056 499283867 /nfs/dbraw/zinc/28/38/67/499283867.db2.gz RWMKGSSBNNKYOQ-UHFFFAOYSA-N 2 0 362.481 3.215 20 0 FGADRP CN1CCC([NH+]2CCC(CC[N@H+](C)Cc3cc(O)cc(F)c3)CC2)CC1 ZINC000368367755 499289428 /nfs/dbraw/zinc/28/94/28/499289428.db2.gz UXWXODDQQWHJCW-UHFFFAOYSA-N 2 0 363.521 3.159 20 0 FGADRP CC(=O)N1CC[C@@H]([NH2+]C[C@@H]2CCC[N@@H+](C(C)C)C2)c2ccc(F)cc2C1 ZINC000368424829 499294680 /nfs/dbraw/zinc/29/46/80/499294680.db2.gz ALLAMIWCNAYNIV-LAUBAEHRSA-N 2 0 361.505 3.329 20 0 FGADRP Cc1cccc(C(C)C)c1NC(=O)CN1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000371293584 499306627 /nfs/dbraw/zinc/30/66/27/499306627.db2.gz HAAOZYOHZNVPQO-MISYRCLQSA-N 2 0 373.541 3.240 20 0 FGADRP CC(=O)N1CC[C@H]([NH2+]C[C@@H](C)C[NH+]2CCCCC2)c2ccc(F)cc2C1 ZINC000368630970 499315861 /nfs/dbraw/zinc/31/58/61/499315861.db2.gz HOESACJAZDZKEK-IERDGZPVSA-N 2 0 361.505 3.331 20 0 FGADRP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+]CCCCN(C)c1ccccc1 ZINC000371978464 499386237 /nfs/dbraw/zinc/38/62/37/499386237.db2.gz IJXUAIRRQXFBMS-BAGYTPMASA-N 2 0 359.558 3.382 20 0 FGADRP C[C@@H]1CCC[N@@H+]1C1CCN(C(=O)NCCCC[NH+]2CCC[C@@H](C)C2)CC1 ZINC000372085454 499397700 /nfs/dbraw/zinc/39/77/00/499397700.db2.gz JAUIEXWAWRKUJW-RTBURBONSA-N 2 0 364.578 3.157 20 0 FGADRP C[C@@H]1C[N@H+](CC2CCC(C(F)(F)F)CC2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000372112762 499400411 /nfs/dbraw/zinc/40/04/11/499400411.db2.gz JUNLQOGBKFLROT-CPFNUKBASA-N 2 0 361.496 3.313 20 0 FGADRP C[C@H]([NH2+]CCCOCC1CCOCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000372346146 499423546 /nfs/dbraw/zinc/42/35/46/499423546.db2.gz JJEPMPYQXPSLRS-SIKLNZKXSA-N 2 0 360.542 3.320 20 0 FGADRP COc1c(CN(C)[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c(C)nn1C ZINC000372399725 499429202 /nfs/dbraw/zinc/42/92/02/499429202.db2.gz SSKZCIKEFSJAEJ-UZLBHIALSA-N 2 0 356.514 3.080 20 0 FGADRP C[NH+](C)Cc1ccc(C(=O)N2CC[C@@H]([N@H+](C)Cc3ccccc3)C2)cc1 ZINC000369708792 499438268 /nfs/dbraw/zinc/43/82/68/499438268.db2.gz JFCVUFBWEFDEFF-OAQYLSRUSA-N 2 0 351.494 3.095 20 0 FGADRP C[C@@H]1CCC[N@H+](CCCC[NH2+][C@H]2CCS(=O)(=O)c3ccc(F)cc32)C1 ZINC000373223240 499458439 /nfs/dbraw/zinc/45/84/39/499458439.db2.gz HKCACSISQRXIFL-QAPCUYQASA-N 2 0 368.518 3.146 20 0 FGADRP C[C@@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)[C@H]1C[C@@H]1c1cccs1 ZINC000375323248 499507080 /nfs/dbraw/zinc/50/70/80/499507080.db2.gz ZFXHEUCYBILSTJ-NXHRZFHOSA-N 2 0 356.539 3.177 20 0 FGADRP C[C@@H]1C[N@H+](CCCCCOc2ccccc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000375356714 499510235 /nfs/dbraw/zinc/51/02/35/499510235.db2.gz OIVLFXPCFBCGHB-IRLDBZIGSA-N 2 0 359.558 3.194 20 0 FGADRP CC(C)[NH+]1CCN(CCC[NH+]2CCC(c3ccc(N(C)C)cc3)CC2)CC1 ZINC000375601431 499536970 /nfs/dbraw/zinc/53/69/70/499536970.db2.gz YPPNJJCXMKOECR-UHFFFAOYSA-N 2 0 372.601 3.348 20 0 FGADRP C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000382717842 499546173 /nfs/dbraw/zinc/54/61/73/499546173.db2.gz IHURDKMKNNCNSB-XSLAUPDRSA-N 2 0 355.526 3.030 20 0 FGADRP C[NH2+]CCc1ccccc1C(=O)N(C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000388342386 499550606 /nfs/dbraw/zinc/55/06/06/499550606.db2.gz NFXAGVKZRRGJBS-OAQYLSRUSA-N 2 0 365.521 3.185 20 0 FGADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000390688291 499555243 /nfs/dbraw/zinc/55/52/43/499555243.db2.gz ZMYNRXFVWIXVOL-HJNYFJLDSA-N 2 0 359.558 3.178 20 0 FGADRP COc1ccccc1[C@H](C)[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000397498374 499564181 /nfs/dbraw/zinc/56/41/81/499564181.db2.gz SNRXSXVFFMXLRP-SFHVURJKSA-N 2 0 354.494 3.373 20 0 FGADRP CCO[C@H]1C[C@H]([NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)C12CCCC2 ZINC000397614884 499564665 /nfs/dbraw/zinc/56/46/65/499564665.db2.gz GOIUSWTUTHENID-SFTDATJTSA-N 2 0 372.553 3.341 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000398005778 499565750 /nfs/dbraw/zinc/56/57/50/499565750.db2.gz QFCUZXPTFDEJTG-COPCDDAFSA-N 2 0 365.521 3.493 20 0 FGADRP COc1ccc(NC(=O)CN[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000397983552 499565825 /nfs/dbraw/zinc/56/58/25/499565825.db2.gz NIXHBJOYAAIERO-LAUBAEHRSA-N 2 0 367.493 3.134 20 0 FGADRP COc1ccc2nc(C[NH+]3CCC([C@@H]4OCCC[C@@H]4[NH3+])CC3)sc2c1 ZINC000582169155 506150448 /nfs/dbraw/zinc/15/04/48/506150448.db2.gz NWNHBYCKFYRWHE-KXBFYZLASA-N 2 0 361.511 3.023 20 0 FGADRP Cc1nccn1CCCC[N@@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000409446121 499596502 /nfs/dbraw/zinc/59/65/02/499596502.db2.gz DCHPIHQZOAFLEW-YADHBBJMSA-N 2 0 352.526 3.426 20 0 FGADRP c1cncc(-c2c[nH+]ccc2N2CCC(OCC[NH+]3CCCC3)CC2)c1 ZINC000376410125 499606641 /nfs/dbraw/zinc/60/66/41/499606641.db2.gz UGQJYXJFIYCXDC-UHFFFAOYSA-N 2 0 352.482 3.225 20 0 FGADRP C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@H]1NCc1ccc(OC(C)(C)C)nc1 ZINC000376823560 499637822 /nfs/dbraw/zinc/63/78/22/499637822.db2.gz PUXQQZJZTKUBDO-BHIYHBOVSA-N 2 0 361.530 3.238 20 0 FGADRP C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)NCC[NH+]2CCCCC2)C1 ZINC000410349822 499656896 /nfs/dbraw/zinc/65/68/96/499656896.db2.gz HGMMNBNICAHIKQ-LJQANCHMSA-N 2 0 372.557 3.204 20 0 FGADRP C[C@H]1CN(C2CC[NH+](Cc3ccc(C[NH+]4CCCCC4)cc3)CC2)CCO1 ZINC000411192620 499709386 /nfs/dbraw/zinc/70/93/86/499709386.db2.gz RMMXJKQUKNPGAV-FQEVSTJZSA-N 2 0 371.569 3.358 20 0 FGADRP C[NH+](C)CCN(CC[NH+](C)C)Cc1ccc(Br)cc1Cl ZINC000576433434 506156261 /nfs/dbraw/zinc/15/62/61/506156261.db2.gz QWSWSHJBPVJYFN-UHFFFAOYSA-N 2 0 362.743 3.028 20 0 FGADRP Cc1nnc([C@@H]2CCC[N@H+](Cc3cccc(C[NH+]4CCCCC4)c3)C2)[nH]1 ZINC000411351954 499728449 /nfs/dbraw/zinc/72/84/49/499728449.db2.gz URALKMNNHWIOOE-HXUWFJFHSA-N 2 0 353.514 3.479 20 0 FGADRP C[N@@H+]1CC[C@H](C[NH2+]Cc2ccccc2N2CCOCC2)[C@H]1c1ccccc1 ZINC000377764139 499730621 /nfs/dbraw/zinc/73/06/21/499730621.db2.gz SNQDWYSMPSIJRT-FYYLOGMGSA-N 2 0 365.521 3.306 20 0 FGADRP C[NH+](C)Cc1c2ccccc2oc1C(=O)N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000377805788 499736943 /nfs/dbraw/zinc/73/69/43/499736943.db2.gz XWIQPELNMHJUOG-VDZJLULYSA-N 2 0 367.493 3.051 20 0 FGADRP CC[C@@H]([NH2+]CC(=O)NC1CC[NH+](C(C)C)CC1)c1cccc(Cl)c1 ZINC000411451086 499742060 /nfs/dbraw/zinc/74/20/60/499742060.db2.gz UTZNCQQKQSNAHB-GOSISDBHSA-N 2 0 351.922 3.370 20 0 FGADRP CC[C@H]([NH2+]CC(=O)NC1CC[NH+](C(C)C)CC1)c1ccc(Cl)cc1 ZINC000411455467 499742678 /nfs/dbraw/zinc/74/26/78/499742678.db2.gz JEQGAICUDYQULP-SFHVURJKSA-N 2 0 351.922 3.370 20 0 FGADRP CC[NH+]1CCC(NC(=O)C[NH2+]C(C)(C)c2ccc(C(C)(C)C)cc2)CC1 ZINC000411461328 499743507 /nfs/dbraw/zinc/74/35/07/499743507.db2.gz ISWFERZBSCMEIR-UHFFFAOYSA-N 2 0 359.558 3.409 20 0 FGADRP CCCC[C@H]([NH2+]CC(=O)NC1CC[NH+](CC)CC1)c1ccc(OC)cc1 ZINC000411467322 499744412 /nfs/dbraw/zinc/74/44/12/499744412.db2.gz XHCFHPKWMKNJGV-FQEVSTJZSA-N 2 0 361.530 3.117 20 0 FGADRP CN(C)C(=O)CC1CC[NH+](Cc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000411492065 499747207 /nfs/dbraw/zinc/74/72/07/499747207.db2.gz BYFZKMYSGAYMMD-UHFFFAOYSA-N 2 0 357.542 3.363 20 0 FGADRP CC(C)[NH+]1CCC(NC(=O)C[NH2+][C@H](CC2CCC2)c2ccccc2)CC1 ZINC000411494169 499747479 /nfs/dbraw/zinc/74/74/79/499747479.db2.gz ZSAXXDYVXYPMED-OAQYLSRUSA-N 2 0 357.542 3.497 20 0 FGADRP c1cncc(COc2ccc(C[N@@H+]3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)cc2)c1 ZINC000570396370 506158174 /nfs/dbraw/zinc/15/81/74/506158174.db2.gz JIZWEYVYVXWCBY-RTWAWAEBSA-N 2 0 351.494 3.482 20 0 FGADRP CC[N@H+](Cc1n[nH]cc1C)C1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC000378127146 499760165 /nfs/dbraw/zinc/76/01/65/499760165.db2.gz DJWWMCOCPVGNHW-UHFFFAOYSA-N 2 0 356.518 3.431 20 0 FGADRP CCc1ccc([C@@H](CN2CCOCC2)[NH2+]Cc2ccc3c[nH+]cn3c2)cc1 ZINC000414181427 499766452 /nfs/dbraw/zinc/76/64/52/499766452.db2.gz MDBHBVYNPDHOQT-JOCHJYFZSA-N 2 0 364.493 3.060 20 0 FGADRP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC1CC[NH+](C(C)(C)C)CC1 ZINC000414252097 499771680 /nfs/dbraw/zinc/77/16/80/499771680.db2.gz AQOUZVPVKHKEFF-IFMALSPDSA-N 2 0 373.585 3.376 20 0 FGADRP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411655507 499773645 /nfs/dbraw/zinc/77/36/45/499773645.db2.gz KPSFNMKHGCJNJQ-HXUWFJFHSA-N 2 0 371.569 3.358 20 0 FGADRP C[C@@H]1CC[C@H](C)[C@H]([NH2+]Cc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)C1 ZINC000414342337 499779249 /nfs/dbraw/zinc/77/92/49/499779249.db2.gz PEJUZXZCSAHVGK-LLGFUMIMSA-N 2 0 357.542 3.298 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCN(c3ccc(F)cc3)C2)[C@@H](C)C1 ZINC000414340313 499779361 /nfs/dbraw/zinc/77/93/61/499779361.db2.gz GVONVCFCXICUTL-DSKINZAPSA-N 2 0 363.521 3.131 20 0 FGADRP CCN1C[C@@H](C)[NH+](CC[C@H](C)CC[NH+]2[C@@H](C)CN(CC)C[C@@H]2C)[C@H](C)C1 ZINC000411726760 499783657 /nfs/dbraw/zinc/78/36/57/499783657.db2.gz ZBYUDFPQVAXQHU-QDDKJTGDSA-N 2 0 366.638 3.232 20 0 FGADRP CC(CC[NH+](C)[C@H]1CCN(C(C)C)C1)CC[N@H+](C)[C@H]1CCN(C(C)C)C1 ZINC000411879414 499799172 /nfs/dbraw/zinc/79/91/72/499799172.db2.gz RTDHQBAXMXUHDU-VXKWHMMOSA-N 2 0 366.638 3.232 20 0 FGADRP C[C@@H]1CCCC[C@@H]1C[NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000414549482 499807005 /nfs/dbraw/zinc/80/70/05/499807005.db2.gz ASDIYKSUHWCEJF-DYESRHJHSA-N 2 0 357.542 3.300 20 0 FGADRP C[C@H]1C[C@@H](C[NH+]2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)CC[NH2+]1 ZINC000414735142 499824684 /nfs/dbraw/zinc/82/46/84/499824684.db2.gz LXMJPAWZTDZKHF-KBPBESRZSA-N 2 0 370.324 3.139 20 0 FGADRP C[C@@H]1C[C@H](C[NH+]2CCC(C(=O)c3c(F)cc(F)cc3F)CC2)CC[NH2+]1 ZINC000414745301 499825774 /nfs/dbraw/zinc/82/57/74/499825774.db2.gz QTONYVDNFISAES-CHWSQXEVSA-N 2 0 354.416 3.387 20 0 FGADRP C[C@H]1C[C@@H](C[NH+]2CCC(C(=O)c3c(F)cc(F)cc3F)CC2)CC[NH2+]1 ZINC000414745307 499825849 /nfs/dbraw/zinc/82/58/49/499825849.db2.gz QTONYVDNFISAES-STQMWFEESA-N 2 0 354.416 3.387 20 0 FGADRP c1ccc(COc2ccccc2C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)nc1 ZINC000414778911 499830236 /nfs/dbraw/zinc/83/02/36/499830236.db2.gz JOFAFAJWUPXKPW-OALUTQOASA-N 2 0 351.494 3.482 20 0 FGADRP Cc1nn(-c2ccc(F)cc2)c(C)c1C[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414783817 499830679 /nfs/dbraw/zinc/83/06/79/499830679.db2.gz QPQUUWOJNXHRAF-QZTJIDSGSA-N 2 0 356.489 3.450 20 0 FGADRP Cc1ccc(-c2ncc(C[N@@H+]3C[C@H](C[NH3+])C4(C3)CCOCC4)s2)cc1 ZINC000414790533 499831720 /nfs/dbraw/zinc/83/17/20/499831720.db2.gz ZZKFFGMIIRVKQT-KRWDZBQOSA-N 2 0 357.523 3.306 20 0 FGADRP C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000414797206 499832193 /nfs/dbraw/zinc/83/21/93/499832193.db2.gz IHHULTKWXORASK-HFTRVMKXSA-N 2 0 351.922 3.184 20 0 FGADRP C[C@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[NH2+]CC(C)(C)[NH3+] ZINC000414798154 499832668 /nfs/dbraw/zinc/83/26/68/499832668.db2.gz FFFJNYBIZMEMBC-SECBINFHSA-N 2 0 351.800 3.403 20 0 FGADRP C[C@H]([NH3+])c1ccc(C[NH2+]Cc2cc3c(cc2OC(F)F)OCO3)cc1 ZINC000414809757 499833408 /nfs/dbraw/zinc/83/34/08/499833408.db2.gz NANMJKMWFMWEGY-NSHDSACASA-N 2 0 350.365 3.326 20 0 FGADRP CCC([NH3+])(CC)C[NH2+][C@H](C)CC(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000414810853 499833482 /nfs/dbraw/zinc/83/34/82/499833482.db2.gz OTPSAMVZVGXNAF-GFCCVEGCSA-N 2 0 361.408 3.409 20 0 FGADRP CCOc1cc(C[NH2+]CC[C@@H]2CCC[NH2+]C2)cc(Br)c1OC ZINC000414853668 499838187 /nfs/dbraw/zinc/83/81/87/499838187.db2.gz SLPPIJLEESNOPV-ZDUSSCGKSA-N 2 0 371.319 3.336 20 0 FGADRP C[NH2+]CCC[NH2+][C@H](C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000414863170 499838922 /nfs/dbraw/zinc/83/89/22/499838922.db2.gz WYRADPSTLCISMJ-SNVBAGLBSA-N 2 0 351.800 3.275 20 0 FGADRP COc1ccc(C(=O)Nc2cccc(C[NH2+][C@H](C)[C@@H]3CCC[NH2+]C3)c2)cc1 ZINC000414865656 499839211 /nfs/dbraw/zinc/83/92/11/499839211.db2.gz ZKJYKRSWXDDYKC-VQIMIIECSA-N 2 0 367.493 3.425 20 0 FGADRP COc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+][C@@H](C)CC[NH3+])cc1 ZINC000414889856 499841985 /nfs/dbraw/zinc/84/19/85/499841985.db2.gz GSBHKTAMALATNZ-INIZCTEOSA-N 2 0 350.466 3.375 20 0 FGADRP C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+]C[C@@]1(C)CCC[NH2+]C1 ZINC000414906084 499843536 /nfs/dbraw/zinc/84/35/36/499843536.db2.gz LZEWMCSCZDDHTR-GUYCJALGSA-N 2 0 368.319 3.146 20 0 FGADRP C[C@@H]1C[NH2+]CC[C@H]1NCc1cnn(Cc2ccc(C(F)(F)F)cc2)c1 ZINC000414931369 499845542 /nfs/dbraw/zinc/84/55/42/499845542.db2.gz BRMZFSJCQVOAJH-CXAGYDPISA-N 2 0 352.404 3.038 20 0 FGADRP COc1cccc(-c2nn(C(C)(C)C)cc2C[NH2+][C@@H]2CC[NH2+]C[C@H]2C)c1 ZINC000414942363 499846897 /nfs/dbraw/zinc/84/68/97/499846897.db2.gz MPKDGDRRJBBSOP-DNVCBOLYSA-N 2 0 356.514 3.401 20 0 FGADRP Brc1cccc(-c2c[nH]c(C[NH2+]CCC[C@H]3CCC[NH2+]3)n2)c1 ZINC000414967100 499849904 /nfs/dbraw/zinc/84/99/04/499849904.db2.gz GVPDIHBMMHSDRZ-HNNXBMFYSA-N 2 0 363.303 3.461 20 0 FGADRP COc1ccc(OCc2nc(C[NH2+][C@@H]3C[C@H]3C3CC[NH2+]CC3)cs2)cc1 ZINC000415003575 499853795 /nfs/dbraw/zinc/85/37/95/499853795.db2.gz GFDPCKSOVNZMON-RBUKOAKNSA-N 2 0 373.522 3.208 20 0 FGADRP COc1ccc(OCc2ccccn2)c(C[NH2+]C[C@@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000415004064 499853950 /nfs/dbraw/zinc/85/39/50/499853950.db2.gz NRMUHHRQXSEGEM-SJLPKXTDSA-N 2 0 355.482 3.276 20 0 FGADRP [NH3+][C@H]1CCC[C@H](C[NH2+]Cc2nc(-c3ccc(Br)cc3)c[nH]2)C1 ZINC000415004495 499854051 /nfs/dbraw/zinc/85/40/51/499854051.db2.gz OGAJXYKSZNZBQL-WFASDCNBSA-N 2 0 363.303 3.446 20 0 FGADRP COc1cc(C[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)ccc1OCC(F)(F)F ZINC000415004405 499854133 /nfs/dbraw/zinc/85/41/33/499854133.db2.gz HVKIADFEWXTLGI-LSDHHAIUSA-N 2 0 358.404 3.114 20 0 FGADRP COc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]C[C@H]1CC[C@H](C[NH3+])CC1 ZINC000415027773 499856037 /nfs/dbraw/zinc/85/60/37/499856037.db2.gz WWNSBCZIXQDPMO-RBSFLKMASA-N 2 0 367.921 3.420 20 0 FGADRP COc1ccc(C(=O)Nc2cccc(C[NH2+][C@@H]3CC[C@@H](C[NH3+])C3)c2)cc1 ZINC000415035031 499856460 /nfs/dbraw/zinc/85/64/60/499856460.db2.gz KJIGVHDKDAUPSH-CRAIPNDOSA-N 2 0 353.466 3.165 20 0 FGADRP FC(F)(F)c1cccc(C2(C[NH2+][C@H]3CCC[NH2+]CC3)CCOCC2)c1 ZINC000415093479 499862733 /nfs/dbraw/zinc/86/27/33/499862733.db2.gz VIDUUFSDCRUNSJ-KRWDZBQOSA-N 2 0 356.432 3.485 20 0 FGADRP CCN1CC[C@H]([NH2+][C@H](C)C[C@@H]2CCC[NH2+]2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000415097280 499863039 /nfs/dbraw/zinc/86/30/39/499863039.db2.gz CNFFQAJCNRYMNN-DTPILHQWSA-N 2 0 355.448 3.359 20 0 FGADRP Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)C12CCC[NH+]1CCC2 ZINC000415120635 499866142 /nfs/dbraw/zinc/86/61/42/499866142.db2.gz LQUOZISPFKOZSD-UHFFFAOYSA-N 2 0 359.539 3.111 20 0 FGADRP [NH3+][C@@H]1CCO[C@H](C2CC[NH+](Cc3ccc(OC(F)F)c(F)c3)CC2)C1 ZINC000415131606 499868119 /nfs/dbraw/zinc/86/81/19/499868119.db2.gz ZTDCWJKAKGPXAD-PBHICJAKSA-N 2 0 358.404 3.145 20 0 FGADRP COc1cc(C[N@@H+]2CC[C@H](C)[C@H](C[NH3+])C2)ccc1OCc1ccncc1 ZINC000415133211 499868438 /nfs/dbraw/zinc/86/84/38/499868438.db2.gz UYIAXEMEWMGMQZ-QFBILLFUSA-N 2 0 355.482 3.086 20 0 FGADRP C[C@H]1CC[N@H+](Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)C[C@H]1C[NH3+] ZINC000415133345 499868592 /nfs/dbraw/zinc/86/85/92/499868592.db2.gz VBXYAQQZSQMUOW-DZGCQCFKSA-N 2 0 352.404 3.308 20 0 FGADRP O=C(NCCC[C@H]1CCC[NH2+]1)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000415306151 499885078 /nfs/dbraw/zinc/88/50/78/499885078.db2.gz HVIOAHIMKBHKFK-GOSISDBHSA-N 2 0 374.529 3.205 20 0 FGADRP CC[NH+]1CCN(c2cccc(NC(=O)Nc3ccc([C@H](C)[NH3+])cc3)c2)CC1 ZINC000415496444 499896624 /nfs/dbraw/zinc/89/66/24/499896624.db2.gz GXXTXQHWBOOFJC-INIZCTEOSA-N 2 0 367.497 3.492 20 0 FGADRP C[NH+](C)[C@@H]1CCc2cc(NC(=O)N3CCC4(CC[NH2+]CC4)CC3)ccc21 ZINC000415794679 499919382 /nfs/dbraw/zinc/91/93/82/499919382.db2.gz VPYHBTOUKDKOQN-LJQANCHMSA-N 2 0 356.514 3.233 20 0 FGADRP C[NH2+]Cc1cccc(NC(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)c1 ZINC000415918247 499928251 /nfs/dbraw/zinc/92/82/51/499928251.db2.gz KOVUZGPQFHRBMD-HXUWFJFHSA-N 2 0 366.509 3.092 20 0 FGADRP C[NH2+]Cc1cccc(NC(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)c1 ZINC000415928797 499929598 /nfs/dbraw/zinc/92/95/98/499929598.db2.gz IFOGOIYAVHNUQG-FQEVSTJZSA-N 2 0 352.482 3.365 20 0 FGADRP CC[NH2+]Cc1cccc(NC(=O)N[C@H](C[NH+](C)C)c2ccc(OC)cc2)c1 ZINC000415928956 499929776 /nfs/dbraw/zinc/92/97/76/499929776.db2.gz GKCWUTOAJOETTM-HXUWFJFHSA-N 2 0 370.497 3.229 20 0 FGADRP C[NH2+]Cc1cccc(NC(=O)N[C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000415933757 499930313 /nfs/dbraw/zinc/93/03/13/499930313.db2.gz PXOAWKWTBPTZQK-XLIONFOSSA-N 2 0 366.509 3.438 20 0 FGADRP CC[NH2+]Cc1cccc(NC(=O)NCc2cccc(OCC[NH+](C)C)c2)c1 ZINC000415937069 499930644 /nfs/dbraw/zinc/93/06/44/499930644.db2.gz VHGYMYKOBZWOLW-UHFFFAOYSA-N 2 0 370.497 3.058 20 0 FGADRP C[NH+](C)CCN(Cc1ccccc1)C(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000415960528 499933752 /nfs/dbraw/zinc/93/37/52/499933752.db2.gz PVVHTAHOFDNSKQ-UHFFFAOYSA-N 2 0 370.472 3.067 20 0 FGADRP C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000415960914 499933938 /nfs/dbraw/zinc/93/39/38/499933938.db2.gz CNUKUPZGGQMBFZ-BLLLJJGKSA-N 2 0 370.419 3.255 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)[C@H](C)CN1C(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000415988547 499937892 /nfs/dbraw/zinc/93/78/92/499937892.db2.gz DFJDGODGXZAGRX-IAGOWNOFSA-N 2 0 364.493 3.417 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)Nc1ccc2c(c1)C[NH2+]C2)c1ccccc1 ZINC000416004754 499940133 /nfs/dbraw/zinc/94/01/33/499940133.db2.gz HKRUNDUXWWNWQJ-FQEVSTJZSA-N 2 0 352.482 3.494 20 0 FGADRP CCN1CCC([N@H+](C)CCCCOc2c(OC)cccc2OC)CC1 ZINC000576469883 506166014 /nfs/dbraw/zinc/16/60/14/506166014.db2.gz FXHGEJKFROLMHV-UHFFFAOYSA-N 2 0 350.503 3.279 20 0 FGADRP CC1CC[NH+](CCCCNC(=O)N[C@@H](CCC[NH3+])c2ccccc2)CC1 ZINC000417037169 499954250 /nfs/dbraw/zinc/95/42/50/499954250.db2.gz UPOASIMDTLCVOL-FQEVSTJZSA-N 2 0 360.546 3.278 20 0 FGADRP C[NH2+]CC1CC[NH+]([C@@H](C(=O)Nc2ccc(OC)cc2)c2ccccc2)CC1 ZINC000582241816 506167436 /nfs/dbraw/zinc/16/74/36/506167436.db2.gz KPHKWCFYBXXHOC-OAQYLSRUSA-N 2 0 367.493 3.306 20 0 FGADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)CC[N@@H+]1CCc2ccccc2C1 ZINC000416171076 499967468 /nfs/dbraw/zinc/96/74/68/499967468.db2.gz NYBZDTDZNPFGGW-UHFFFAOYSA-N 2 0 351.494 3.444 20 0 FGADRP C[C@H](CCNC(=O)NC[C@H]1CCCC[N@@H+]1C1CC1)[NH+](C)Cc1ccccc1 ZINC000429092370 500001868 /nfs/dbraw/zinc/00/18/68/500001868.db2.gz KDOLNGCUAJJELT-WIYYLYMNSA-N 2 0 372.557 3.213 20 0 FGADRP CC1CC[NH+]([C@@H](CNC(=O)NCC[C@@H]2CCC[NH2+]C2)c2ccccc2)CC1 ZINC000417208606 500006025 /nfs/dbraw/zinc/00/60/25/500006025.db2.gz BESBSOVHTODFLI-FPOVZHCZSA-N 2 0 372.557 3.149 20 0 FGADRP CC[NH+](CC)[C@H](C(=O)N1CC[C@@H]([NH3+])[C@@H](C)C1)c1cccc(C(F)(F)F)c1 ZINC000429139280 500011405 /nfs/dbraw/zinc/01/14/05/500011405.db2.gz FASMIMRLSJLZSY-XKQJLSEDSA-N 2 0 371.447 3.284 20 0 FGADRP COC1([C@H](C)[NH2+]C2CC[NH+]([C@H](C)Cc3ccccc3)CC2)CCOCC1 ZINC000421406372 500039024 /nfs/dbraw/zinc/03/90/24/500039024.db2.gz SXRSLRWSPXAVIY-MOPGFXCFSA-N 2 0 360.542 3.256 20 0 FGADRP C[C@H]([NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1)[C@@H]1C[C@H]1c1cccs1 ZINC000417344123 500045554 /nfs/dbraw/zinc/04/55/54/500045554.db2.gz RSCZPZMEZQCFGV-YSIASYRMSA-N 2 0 370.566 3.437 20 0 FGADRP C[NH2+]C[C@@H]1CCCN(C(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)C1 ZINC000417353971 500047073 /nfs/dbraw/zinc/04/70/73/500047073.db2.gz KSEKMHIFEZZVAB-NRFANRHFSA-N 2 0 372.557 3.204 20 0 FGADRP FC(F)CN1CC[C@H]([NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000417385304 500056323 /nfs/dbraw/zinc/05/63/23/500056323.db2.gz LYROTRDAGPGRGY-LWYYNNOASA-N 2 0 363.496 3.216 20 0 FGADRP CCc1ccccc1[C@@H]([NH3+])CNC(=O)NCc1cccc(C[N@@H+](C)CC)c1 ZINC000417407326 500063942 /nfs/dbraw/zinc/06/39/42/500063942.db2.gz SKOOGLMSSAENSU-NRFANRHFSA-N 2 0 368.525 3.200 20 0 FGADRP C[C@@H]([NH3+])[C@H]1CCCN(C(=O)NCc2cccc(C[NH+]3CCC(C)CC3)c2)C1 ZINC000417465768 500082287 /nfs/dbraw/zinc/08/22/87/500082287.db2.gz IPCGTQGLQWDGGM-NQIIRXRSSA-N 2 0 372.557 3.187 20 0 FGADRP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@@H+](C)[C@H]2CC[C@@H](C)C2)CC1 ZINC000429564928 500104155 /nfs/dbraw/zinc/10/41/55/500104155.db2.gz HDIVHCZUWHBUBM-NQIIRXRSSA-N 2 0 357.542 3.150 20 0 FGADRP C[C@@H](CCC[NH3+])NC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1 ZINC000417581605 500116633 /nfs/dbraw/zinc/11/66/33/500116633.db2.gz TXHDXMGUFBAEPQ-YJBOKZPZSA-N 2 0 366.937 3.121 20 0 FGADRP C[NH+](C)[C@@H](CNC(=O)N[C@@H](CCC[NH3+])c1ccccc1)c1ccccc1 ZINC000416808914 500125785 /nfs/dbraw/zinc/12/57/85/500125785.db2.gz PGELXDPLCUDFNL-PMACEKPBSA-N 2 0 354.498 3.069 20 0 FGADRP O=C(NCC[NH2+]C1CCCCCC1)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000416817661 500128466 /nfs/dbraw/zinc/12/84/66/500128466.db2.gz KFEMREDWOXMBAC-SFHVURJKSA-N 2 0 362.518 3.028 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N1C[C@@H](C[NH3+])C[C@@H]1C)c1ccccc1Cl ZINC000416831066 500132103 /nfs/dbraw/zinc/13/21/03/500132103.db2.gz HFHJQOFSHLZGJM-HDMKZQKVSA-N 2 0 366.937 3.102 20 0 FGADRP CC(C)[NH+]1CCC(NC(=O)N[C@H](C[NH3+])c2ccc3ccccc3c2)CC1 ZINC000416833024 500132821 /nfs/dbraw/zinc/13/28/21/500132821.db2.gz QVYAQYOYMUQYPS-HXUWFJFHSA-N 2 0 354.498 3.012 20 0 FGADRP CN(C(=O)NCC1([NH+]2CCCCC2)CCCCC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000416833431 500132829 /nfs/dbraw/zinc/13/28/29/500132829.db2.gz XKAXKKNOGDMINQ-DFNIBXOVSA-N 2 0 362.562 3.100 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N1CC[C@H]([NH3+])[C@H](C)C1)c1ccccc1Cl ZINC000416839200 500134735 /nfs/dbraw/zinc/13/47/35/500134735.db2.gz JOQQCYCTKHWCIU-FHLIZLRMSA-N 2 0 366.937 3.102 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)N1CCC(C[NH3+])CC1)c1ccccc1Cl ZINC000416842582 500136101 /nfs/dbraw/zinc/13/61/01/500136101.db2.gz NMTYAJAOGMFXQM-SFHVURJKSA-N 2 0 366.937 3.103 20 0 FGADRP C[C@H]([NH2+]CCCC[NH+]1CCN(c2ccccc2)CC1)c1cc2n(n1)CCC2 ZINC000414064341 500143274 /nfs/dbraw/zinc/14/32/74/500143274.db2.gz FOKSSDWJQKLVRM-IBGZPJMESA-N 2 0 367.541 3.082 20 0 FGADRP C[C@@H](CCCC[NH3+])NC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000416892857 500149591 /nfs/dbraw/zinc/14/95/91/500149591.db2.gz WRLVTXQDOKAOEN-HNNXBMFYSA-N 2 0 366.937 3.121 20 0 FGADRP COc1ccc([C@H]([NH2+]C[C@H](C(C)C)N2CC[NH+](C)CC2)C2CC2)c(F)c1 ZINC000421818581 500158397 /nfs/dbraw/zinc/15/83/97/500158397.db2.gz BNQGXFSCWPOKFS-NHCUHLMSSA-N 2 0 363.521 3.147 20 0 FGADRP COc1ccc([C@H]([NH2+]C[C@H](C(C)C)N2CC[NH+](C)CC2)C(C)C)c(F)c1 ZINC000421822603 500159454 /nfs/dbraw/zinc/15/94/54/500159454.db2.gz XJNAPCWTXUIYOD-NHCUHLMSSA-N 2 0 365.537 3.393 20 0 FGADRP CCN1CC[NH+](CCCC[NH2+][C@@H](C)Cc2ccc(F)cc2Cl)CC1 ZINC000421822051 500159648 /nfs/dbraw/zinc/15/96/48/500159648.db2.gz VOISZINBXBFRTF-INIZCTEOSA-N 2 0 355.929 3.417 20 0 FGADRP COC1([C@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H]2CO)CCCCC1 ZINC000421834325 500161602 /nfs/dbraw/zinc/16/16/02/500161602.db2.gz CAVLPCSZRIBLCY-RXVVDRJESA-N 2 0 360.542 3.471 20 0 FGADRP C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)NCCC[C@H]3CCC[NH2+]3)cc2)C1 ZINC000416966536 500168619 /nfs/dbraw/zinc/16/86/19/500168619.db2.gz FMJVPSODGIFNSN-WIYYLYMNSA-N 2 0 372.557 3.250 20 0 FGADRP C[C@H](CCCC[NH3+])NC(=O)NCc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000416969333 500169511 /nfs/dbraw/zinc/16/95/11/500169511.db2.gz BNBGITNFXWSPIG-QZTJIDSGSA-N 2 0 360.546 3.378 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)NC[C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000416969820 500170391 /nfs/dbraw/zinc/17/03/91/500170391.db2.gz CQXAEPLWHHWSSE-UIFIKXQLSA-N 2 0 372.557 3.378 20 0 FGADRP C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000416970560 500170807 /nfs/dbraw/zinc/17/08/07/500170807.db2.gz FEVLXPRXRDAPNS-NQIIRXRSSA-N 2 0 372.557 3.330 20 0 FGADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000416975487 500172918 /nfs/dbraw/zinc/17/29/18/500172918.db2.gz ZHKZMKCIOJJSRF-IYARVYRRSA-N 2 0 360.546 3.091 20 0 FGADRP CCCN(C(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1)[C@H]1CC[NH2+]C1 ZINC000416978468 500173429 /nfs/dbraw/zinc/17/34/29/500173429.db2.gz RJOJTPFYLAGRET-NRFANRHFSA-N 2 0 372.557 3.202 20 0 FGADRP C[NH2+]C[C@@H]1CCCN(C(=O)NCc2ccc(C[NH+]3CCC(C)CC3)cc2)C1 ZINC000416984135 500175023 /nfs/dbraw/zinc/17/50/23/500175023.db2.gz XPOGGCJOBKRUAC-NRFANRHFSA-N 2 0 372.557 3.060 20 0 FGADRP CC(C)c1ccc([C@H]([NH3+])CNC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1 ZINC000417803987 500175822 /nfs/dbraw/zinc/17/58/22/500175822.db2.gz YEFXSIVKSRZXKP-RAFMOHDBSA-N 2 0 358.530 3.124 20 0 FGADRP C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)N(C)CC(C)(C)C[NH3+])cc2)C1 ZINC000416994188 500178832 /nfs/dbraw/zinc/17/88/32/500178832.db2.gz RHGZZNFGKATLCZ-ROUUACIJSA-N 2 0 374.573 3.291 20 0 FGADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000417843634 500182629 /nfs/dbraw/zinc/18/26/29/500182629.db2.gz QVEGVOIPQSECDR-DFQSSKMNSA-N 2 0 360.546 3.054 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)N(C)CC[C@H]([NH3+])C(C)C)c1ccsc1 ZINC000417012141 500184102 /nfs/dbraw/zinc/18/41/02/500184102.db2.gz VWFIMAWVMINTGK-IRXDYDNUSA-N 2 0 354.564 3.146 20 0 FGADRP CC1CC[NH+](CCCCNC(=O)N2CCCC[C@@H]2[C@@H]2CCC[NH2+]C2)CC1 ZINC000417021542 500185984 /nfs/dbraw/zinc/18/59/84/500185984.db2.gz GSNLDAKCKAGJPO-WOJBJXKFSA-N 2 0 364.578 3.062 20 0 FGADRP CC(C)C[C@@H](CNC(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2)[NH2+][C@@H](C)c1ccccc1 ZINC000417866611 500187112 /nfs/dbraw/zinc/18/71/12/500187112.db2.gz DPTMRZYMVKHHBL-NRDMVMEKSA-N 2 0 372.557 3.288 20 0 FGADRP CC(C)C[C@@H](CNC(=O)N1CCC(C[NH3+])CC1)[NH2+][C@@H](C)c1ccccc1 ZINC000417874289 500188646 /nfs/dbraw/zinc/18/86/46/500188646.db2.gz NADYAEMPLWEMCW-PXNSSMCTSA-N 2 0 360.546 3.132 20 0 FGADRP CCCC[N@H+](CC)Cc1cccc(CNC(=O)N2C[C@@H]3CC[NH2+]C[C@H]3C2)c1 ZINC000417873357 500188941 /nfs/dbraw/zinc/18/89/41/500188941.db2.gz JDYSUQLTWOKMDE-SFTDATJTSA-N 2 0 372.557 3.060 20 0 FGADRP CC(C)C[C@H](CNC(=O)N1C[C@H](C[NH3+])C[C@H]1C)[NH2+][C@H](C)c1ccccc1 ZINC000417877417 500189716 /nfs/dbraw/zinc/18/97/16/500189716.db2.gz QAFMNKVGJOFCFV-FTEYMNFISA-N 2 0 360.546 3.131 20 0 FGADRP C[NH2+]CCC1CCN(C(=O)N[C@@H](C[N@H+](C)Cc2ccccc2)C(C)C)CC1 ZINC000418025432 500215899 /nfs/dbraw/zinc/21/58/99/500215899.db2.gz DNCYUNXGLFBTAR-NRFANRHFSA-N 2 0 374.573 3.174 20 0 FGADRP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000418153810 500237971 /nfs/dbraw/zinc/23/79/71/500237971.db2.gz JGQHCTYEAZPXEG-AQNXPRMDSA-N 2 0 372.557 3.104 20 0 FGADRP C[NH2+]CCC1CCN(C(=O)N[C@@H](C)[C@@H](c2ccccc2C)[NH+](C)C)CC1 ZINC000418182722 500244302 /nfs/dbraw/zinc/24/43/02/500244302.db2.gz NGGRUTCXEWIKBG-PXNSSMCTSA-N 2 0 360.546 3.017 20 0 FGADRP CCC[N@H+](C)[C@H](CNC(=O)N[C@H](C)CCC[NH3+])c1ccc(Cl)cc1 ZINC000418183874 500244343 /nfs/dbraw/zinc/24/43/43/500244343.db2.gz OXZMRGMEKNJXEG-RHSMWYFYSA-N 2 0 354.926 3.150 20 0 FGADRP CCc1ccc([C@H](CNC(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)[NH+](CC)CC)cc1 ZINC000418221351 500251352 /nfs/dbraw/zinc/25/13/52/500251352.db2.gz VQTBGANQNOUBTI-ACRUOGEOSA-N 2 0 372.557 3.025 20 0 FGADRP CCc1ccc([C@H](CNC(=O)N2CC[C@@H]([C@H](C)[NH3+])C2)[NH+](CC)CC)cc1 ZINC000418223746 500252083 /nfs/dbraw/zinc/25/20/83/500252083.db2.gz YZLLRCORUTZWBW-DBVUQKKJSA-N 2 0 360.546 3.011 20 0 FGADRP [NH3+]C[C@H](NC(=O)NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1)C1CCCC1 ZINC000418227609 500252865 /nfs/dbraw/zinc/25/28/65/500252865.db2.gz AAACMSDDLFTBHC-CTNGQTDRSA-N 2 0 372.557 3.105 20 0 FGADRP CC[NH2+]CC1CC[NH+](CC(=O)N2CCC[C@@H]2c2ccc(OCC)cc2)CC1 ZINC000430601229 500260820 /nfs/dbraw/zinc/26/08/20/500260820.db2.gz ZEMOBDNUBRVLEL-OAQYLSRUSA-N 2 0 373.541 3.070 20 0 FGADRP C[N@H+](CCC(=O)Nc1ccccc1Oc1ccccc1)C1CC[NH2+]CC1 ZINC000430620934 500262829 /nfs/dbraw/zinc/26/28/29/500262829.db2.gz IPPRLBYYHBLQRU-UHFFFAOYSA-N 2 0 353.466 3.491 20 0 FGADRP CC(C)c1ccc([C@@H]([NH3+])CNC(=O)N2CCC(C[NH+]3CCCC3)CC2)cc1 ZINC000418343361 500265556 /nfs/dbraw/zinc/26/55/56/500265556.db2.gz FQFBLRQXUVAWPE-NRFANRHFSA-N 2 0 372.557 3.327 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)NCC[C@@H]2CCC[NH2+]C2)CC1 ZINC000418356046 500267773 /nfs/dbraw/zinc/26/77/73/500267773.db2.gz XLAWVEADUYSERN-QUCCMNQESA-N 2 0 364.578 3.062 20 0 FGADRP CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)[C@@H]([NH3+])CC1CCCCC1 ZINC000570519120 506186063 /nfs/dbraw/zinc/18/60/63/506186063.db2.gz BJTYYXJDYINTRL-NRFANRHFSA-N 2 0 372.557 3.444 20 0 FGADRP CC[N@H+](CCC1CCN(C(=O)N[C@H]2CCCC[C@H]2C[NH3+])CC1)CC1CC1 ZINC000418407027 500273011 /nfs/dbraw/zinc/27/30/11/500273011.db2.gz FPBDPAFXEJOPAX-PMACEKPBSA-N 2 0 364.578 3.048 20 0 FGADRP CC[C@@H]1CC[C@@H](C)C[C@@H]1[NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000430719455 500274747 /nfs/dbraw/zinc/27/47/47/500274747.db2.gz FHGDFVWWGPRYIM-QRQLOZEOSA-N 2 0 351.579 3.418 20 0 FGADRP CC(C)C[C@H](C[NH3+])NC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000418431026 500276123 /nfs/dbraw/zinc/27/61/23/500276123.db2.gz WBFZKQFPLZVEKB-HBMCJLEFSA-N 2 0 372.557 3.056 20 0 FGADRP CC[NH+](CC)CC1CCN(C(=O)NCC[NH2+]C2CCCCCC2)CC1 ZINC000418444490 500277012 /nfs/dbraw/zinc/27/70/12/500277012.db2.gz MGCQXROJOYPMAQ-UHFFFAOYSA-N 2 0 352.567 3.062 20 0 FGADRP CCCC[C@@H](C[NH3+])NC(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000418471568 500280369 /nfs/dbraw/zinc/28/03/69/500280369.db2.gz RRSXSVJQNRTSJW-RBBKRZOGSA-N 2 0 372.557 3.202 20 0 FGADRP CCC[N@H+](C)[C@@H](CNC(=O)NC(C)(C)CC[NH3+])c1ccc(Cl)cc1 ZINC000422619436 500282135 /nfs/dbraw/zinc/28/21/35/500282135.db2.gz NHOUHLVCPYUZMJ-INIZCTEOSA-N 2 0 354.926 3.150 20 0 FGADRP [NH3+]C[C@@H](NC(=O)NC[C@@H]1[NH2+]CCc2ccccc21)c1ccc2ccccc2c1 ZINC000418497882 500284558 /nfs/dbraw/zinc/28/45/58/500284558.db2.gz IUORSRQUTJDLML-YADHBBJMSA-N 2 0 374.488 3.026 20 0 FGADRP C[C@@H]1C[C@@H](C)[N@H+](CCC(=O)Nc2cccc(Br)c2)C[C@H]1C[NH3+] ZINC000422640707 500285338 /nfs/dbraw/zinc/28/53/38/500285338.db2.gz VVVPNGQWUXXJDM-MGPQQGTHSA-N 2 0 368.319 3.083 20 0 FGADRP COc1cccc(C[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c1OC ZINC000422701623 500287039 /nfs/dbraw/zinc/28/70/39/500287039.db2.gz DNIILQVIODEWHL-DYESRHJHSA-N 2 0 354.450 3.049 20 0 FGADRP C[C@@H](CC[NH3+])NC(=O)N1CC(C)(C)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000418519282 500287214 /nfs/dbraw/zinc/28/72/14/500287214.db2.gz GGTDJANHPVXFKH-PXNSSMCTSA-N 2 0 372.557 3.056 20 0 FGADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+][C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000422713715 500288814 /nfs/dbraw/zinc/28/88/14/500288814.db2.gz PZAMXJCISZHAGK-UAGQMJEPSA-N 2 0 352.320 3.277 20 0 FGADRP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@@H]2[NH2+]CCCCC[NH+]1CCCCC1 ZINC000422720215 500290161 /nfs/dbraw/zinc/29/01/61/500290161.db2.gz SFZBZTMXGDTTIG-RBBKRZOGSA-N 3 0 357.542 3.488 20 0 FGADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1 ZINC000422726478 500290732 /nfs/dbraw/zinc/29/07/32/500290732.db2.gz DZBZZOXLJOHJFO-VBQJREDUSA-N 2 0 357.420 3.271 20 0 FGADRP C[C@@H](CCCC[NH3+])[NH2+]Cc1cccc(NC(=O)NCc2ccncc2)c1 ZINC000422729524 500291080 /nfs/dbraw/zinc/29/10/80/500291080.db2.gz KSWGDLQYOPTHOZ-INIZCTEOSA-N 2 0 355.486 3.010 20 0 FGADRP CSc1nnc(CCC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)n1CC(C)C ZINC000422734109 500291582 /nfs/dbraw/zinc/29/15/82/500291582.db2.gz RVPCAQKWUGBMIG-BRWVUGGUSA-N 2 0 365.591 3.099 20 0 FGADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C[C@@H](c1cccs1)N1CCOCC1 ZINC000422739642 500292361 /nfs/dbraw/zinc/29/23/61/500292361.db2.gz AKKFUMYFEONPEK-SQNIBIBYSA-N 2 0 351.560 3.022 20 0 FGADRP COc1ccc([C@H](NC[C@H](c2ccccc2)[NH+](C)C)[C@@H]2CCC[NH2+]2)cc1 ZINC000422755702 500294403 /nfs/dbraw/zinc/29/44/03/500294403.db2.gz KXOFWDBPCYYJSZ-BDTNDASRSA-N 2 0 353.510 3.381 20 0 FGADRP O=C(c1ccccc1)N1CCC(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)CC1 ZINC000422759418 500294649 /nfs/dbraw/zinc/29/46/49/500294649.db2.gz KDSMOUABPJIRAU-NJDAHSKKSA-N 2 0 355.526 3.049 20 0 FGADRP CCOC(=O)C1([C@@H](C)[NH2+]CCSCc2ccc(C)cc2)CC[NH2+]CC1 ZINC000422760805 500295165 /nfs/dbraw/zinc/29/51/65/500295165.db2.gz HENQOLPBLYDFEZ-QGZVFWFLSA-N 2 0 364.555 3.139 20 0 FGADRP C[C@@H]1CCCN(C(C)(C)C[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000422771237 500295726 /nfs/dbraw/zinc/29/57/26/500295726.db2.gz XFUGYHHDQVVLAZ-JUXOCIIHSA-N 2 0 357.542 3.342 20 0 FGADRP C[C@H](CCC[NH3+])[NH2+][C@H](c1ccc(F)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000422788822 500297475 /nfs/dbraw/zinc/29/74/75/500297475.db2.gz NMQUQHSIDYZOJW-AUUYWEPGSA-N 2 0 364.486 3.036 20 0 FGADRP C[C@H](CCCC[NH3+])[NH2+][C@@H](c1ccccc1)c1cccc(S(C)(=O)=O)c1 ZINC000422791004 500298244 /nfs/dbraw/zinc/29/82/44/500298244.db2.gz CVJNLALDTGQCCB-UZLBHIALSA-N 2 0 360.523 3.287 20 0 FGADRP C[NH+]1CCC(N(Cc2ccccc2)C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)CC1 ZINC000418636016 500299333 /nfs/dbraw/zinc/29/93/33/500299333.db2.gz HNRKVLBXOSRJFZ-FQEVSTJZSA-N 2 0 372.557 3.071 20 0 FGADRP Cc1cccc(N2CC[NH+](CCCC[NH2+][C@H]3CCCC[C@@H]3C[NH3+])CC2)c1 ZINC000422809631 500300211 /nfs/dbraw/zinc/30/02/11/500300211.db2.gz MIFIIWNFKSRVQN-IRLDBZIGSA-N 3 0 358.574 3.004 20 0 FGADRP CCc1ccccc1[C@H]([NH3+])CNC(=O)N(CC[NH+](C)C)Cc1cccs1 ZINC000418650897 500301429 /nfs/dbraw/zinc/30/14/29/500301429.db2.gz KZJPWHLFZMAPRQ-LJQANCHMSA-N 2 0 374.554 3.084 20 0 FGADRP COc1cc(Cl)c(C)cc1NC(=O)CC[NH2+][C@@H]1CCCCC[C@H]1[NH3+] ZINC000422825171 500302512 /nfs/dbraw/zinc/30/25/12/500302512.db2.gz PCQKUMUBAZNZAL-HUUCEWRRSA-N 2 0 353.894 3.235 20 0 FGADRP COC[C@H](CCC[NH3+])[NH2+]CC1(C(=O)Nc2ccc(C)c(C)c2)CCCC1 ZINC000422836239 500303982 /nfs/dbraw/zinc/30/39/82/500303982.db2.gz JREJRBRTLNHMIX-IBGZPJMESA-N 2 0 361.530 3.146 20 0 FGADRP COc1ccccc1N1CCC([NH2+][C@H](Cc2ccccc2)[C@@H](C)[NH3+])CC1 ZINC000422838977 500304377 /nfs/dbraw/zinc/30/43/77/500304377.db2.gz PILAVEVWTHJRTG-YLJYHZDGSA-N 2 0 353.510 3.212 20 0 FGADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@H]1CCCN(Cc2cccs2)C1 ZINC000422840451 500304431 /nfs/dbraw/zinc/30/44/31/500304431.db2.gz SYHGLNMDXBSXHA-DOTOQJQBSA-N 2 0 358.555 3.473 20 0 FGADRP COc1ccccc1N1CCC([NH2+][C@H](C)c2ccc(C[NH3+])nc2C)CC1 ZINC000422842894 500304672 /nfs/dbraw/zinc/30/46/72/500304672.db2.gz ZLKMKAPEMRUQDS-OAHLLOKOSA-N 2 0 354.498 3.177 20 0 FGADRP CCOC(=O)C1([C@H](C)[NH2+]CC2(c3ccc(F)cc3)CCC2)CC[NH2+]CC1 ZINC000422841845 500305075 /nfs/dbraw/zinc/30/50/75/500305075.db2.gz DTALFKCMZZVICJ-INIZCTEOSA-N 2 0 362.489 3.158 20 0 FGADRP C[C@@H](CCCC[NH3+])[NH2+]C[C@H](c1ccc(C(F)(F)F)cc1)N1CCOCC1 ZINC000422847474 500305559 /nfs/dbraw/zinc/30/55/59/500305559.db2.gz IJIGMXZUZMWQJC-MAUKXSAKSA-N 2 0 373.463 3.186 20 0 FGADRP [NH3+]CCC[C@H](NC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1)c1ccccc1 ZINC000418675017 500306139 /nfs/dbraw/zinc/30/61/39/500306139.db2.gz PHUQXLACPMVVPR-UXHICEINSA-N 2 0 358.530 3.127 20 0 FGADRP C[C@H]([NH3+])[C@@H]1CCC[N@H+](CCC(=O)NC(c2ccccc2)c2ccccc2)C1 ZINC000430924798 500307737 /nfs/dbraw/zinc/30/77/37/500307737.db2.gz JOBYCVKQWRLZGF-GHTZIAJQSA-N 2 0 365.521 3.342 20 0 FGADRP C[C@H](C(=O)N[C@@H](C)c1ccc2ccccc2c1)[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000430935196 500309749 /nfs/dbraw/zinc/30/97/49/500309749.db2.gz PGRPCQCLUUGNRZ-YESZJQIVSA-N 2 0 353.510 3.465 20 0 FGADRP CC1CC[NH+](CCCC[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000422887736 500310629 /nfs/dbraw/zinc/31/06/29/500310629.db2.gz ZFWBKSXVALYRJD-IFMALSPDSA-N 3 0 357.542 3.344 20 0 FGADRP C[C@@H]1CCC[N@H+](Cc2ccccc2C[NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)C1 ZINC000422886731 500311074 /nfs/dbraw/zinc/31/10/74/500311074.db2.gz XIQHKGIYQMESOL-YJSIEXFISA-N 3 0 371.569 3.165 20 0 FGADRP C[C@H](CCC[NH3+])[NH2+]C1CCN(Cc2ccc(Br)cc2)CC1 ZINC000422889863 500311551 /nfs/dbraw/zinc/31/15/51/500311551.db2.gz HBDKZMYBFZYDDD-CQSZACIVSA-N 2 0 354.336 3.131 20 0 FGADRP C[C@@H](NC(=O)C[NH+]1CCC([C@H](C)[NH3+])CC1)c1ccc(Cl)cc1Cl ZINC000430948056 500311982 /nfs/dbraw/zinc/31/19/82/500311982.db2.gz GYBAZZMPQAUGMI-NWDGAFQWSA-N 2 0 358.313 3.230 20 0 FGADRP COc1cc(C[NH+]2CCC3(CC[NH2+]C3)CC2)ccc1OCC(F)(F)F ZINC000430950304 500312219 /nfs/dbraw/zinc/31/22/19/500312219.db2.gz GYXRLCMHUCGDLJ-UHFFFAOYSA-N 2 0 358.404 3.212 20 0 FGADRP COc1ccc(Cl)cc1C1(C[NH2+][C@H]2CCC[NH2+]CC2)CCOCC1 ZINC000422905050 500314650 /nfs/dbraw/zinc/31/46/50/500314650.db2.gz RKHLEUFAOHYFBN-INIZCTEOSA-N 2 0 352.906 3.129 20 0 FGADRP Cc1ccc(C(=O)N2CCC([NH2+][C@@H](C)c3ccc(C[NH3+])nc3C)CC2)cc1 ZINC000422911700 500315474 /nfs/dbraw/zinc/31/54/74/500315474.db2.gz UHYWQXXXASBHPS-INIZCTEOSA-N 2 0 366.509 3.113 20 0 FGADRP CCc1nc(CN2CCC(C[NH2+][C@H]3CCCCC[C@H]3[NH3+])CC2)cs1 ZINC000422913537 500316249 /nfs/dbraw/zinc/31/62/49/500316249.db2.gz QDSATHUTDKCLHU-MSOLQXFVSA-N 2 0 350.576 3.167 20 0 FGADRP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000426769645 500318103 /nfs/dbraw/zinc/31/81/03/500318103.db2.gz KRXBXKRMJWRBJX-SESVDKBCSA-N 2 0 369.553 3.278 20 0 FGADRP C[C@H](CCCC[NH3+])[NH2+][C@@H](C)c1cc2c(cc1Br)OCCO2 ZINC000422935756 500320011 /nfs/dbraw/zinc/32/00/11/500320011.db2.gz DNTAHOLZEPLUKC-NEPJUHHUSA-N 2 0 357.292 3.388 20 0 FGADRP COc1ccc(Br)cc1C[NH2+][C@H](C)c1ccc(C[NH3+])nc1C ZINC000422950799 500322337 /nfs/dbraw/zinc/32/23/37/500322337.db2.gz ZAFBKGFJYVPIER-LLVKDONJSA-N 2 0 364.287 3.471 20 0 FGADRP C[C@H](NC(=O)[C@H](C)[NH+]1CCC2(CC[NH2+]C2)CC1)c1ccc2ccccc2c1 ZINC000431012859 500322870 /nfs/dbraw/zinc/32/28/70/500322870.db2.gz GTBZDOAVXKVCFI-ROUUACIJSA-N 2 0 365.521 3.481 20 0 FGADRP CCc1noc(-c2ccc(CC[NH2+][C@@H](Cc3ccccc3)[C@H](C)[NH3+])cc2)n1 ZINC000422952796 500323374 /nfs/dbraw/zinc/32/33/74/500323374.db2.gz DJHANLPNESVEEY-JXFKEZNVSA-N 2 0 364.493 3.390 20 0 FGADRP C[NH+](C)C1CCN(c2ccc(N[C@H]3C[C@H]([NH3+])c4ccccc43)nc2)CC1 ZINC000422955315 500323424 /nfs/dbraw/zinc/32/34/24/500323424.db2.gz LSUSKNZDCOZZBT-PMACEKPBSA-N 2 0 351.498 3.169 20 0 FGADRP C[C@H]1CC[N@H+](CCOc2ccc(NC(=O)[C@@H](C[NH3+])c3ccccc3)cc2)C1 ZINC000431017249 500323762 /nfs/dbraw/zinc/32/37/62/500323762.db2.gz OQHZYMLLJWHGEE-UWJYYQICSA-N 2 0 367.493 3.088 20 0 FGADRP Fc1ccc2c(c1)[C@H]([NH2+][C@H]1C[C@@]3(CC[NH2+]C3)Oc3ccccc31)CCO2 ZINC000422958093 500324234 /nfs/dbraw/zinc/32/42/34/500324234.db2.gz ONQKXXZOYSHKBC-LVCYWYKZSA-N 2 0 354.425 3.495 20 0 FGADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000422962036 500324956 /nfs/dbraw/zinc/32/49/56/500324956.db2.gz BSQHRDVANNHSBJ-NPPFBWRTSA-N 2 0 352.526 3.155 20 0 FGADRP COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000431041024 500327479 /nfs/dbraw/zinc/32/74/79/500327479.db2.gz ZIARHAUKFLWRLX-CQSZACIVSA-N 2 0 365.905 3.060 20 0 FGADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCCc1nc(-c2ccc(F)cc2)no1 ZINC000423035663 500333536 /nfs/dbraw/zinc/33/35/36/500333536.db2.gz SFYZKYHIRRCAGS-KXBFYZLASA-N 2 0 368.456 3.356 20 0 FGADRP OC[C@@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000423036477 500333873 /nfs/dbraw/zinc/33/38/73/500333873.db2.gz UDHWTVYBLSJQGL-CWBXHPNXSA-N 3 0 371.569 3.044 20 0 FGADRP FC(F)(F)COc1ccc(CC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)cn1 ZINC000423045060 500334543 /nfs/dbraw/zinc/33/45/43/500334543.db2.gz BHILSLLOLIJPSQ-XHSDSOJGSA-N 2 0 357.420 3.076 20 0 FGADRP CCC[N@H+](CCC(=O)Nc1cc(Cl)ccc1OC)C1CC[NH2+]CC1 ZINC000431104346 500336591 /nfs/dbraw/zinc/33/65/91/500336591.db2.gz FVONFGCTAORCEG-UHFFFAOYSA-N 2 0 353.894 3.141 20 0 FGADRP [NH3+]CC1CCC([NH2+][C@@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)CC1 ZINC000423073926 500338854 /nfs/dbraw/zinc/33/88/54/500338854.db2.gz SQVFCRZVMBIQDL-ABIUDSBCSA-N 2 0 356.297 3.206 20 0 FGADRP Cc1ccc(C[NH2+][C@H](C)c2ccc(C[NH3+])nc2C)c(-n2cc(Cl)cn2)n1 ZINC000423072541 500338841 /nfs/dbraw/zinc/33/88/41/500338841.db2.gz PROUEQOZCSOJQI-CYBMUJFWSA-N 2 0 370.888 3.242 20 0 FGADRP C[C@@H](CCc1ccc(I)cc1)[NH2+]C1CCC([NH3+])CC1 ZINC000423105261 500343132 /nfs/dbraw/zinc/34/31/32/500343132.db2.gz YUHGDOJDWGYWHC-JQRITLKVSA-N 2 0 372.294 3.472 20 0 FGADRP CC(C)c1nnc(CC[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)s1 ZINC000423123457 500345396 /nfs/dbraw/zinc/34/53/96/500345396.db2.gz DRVRTXRJNPLISH-DNVCBOLYSA-N 2 0 358.511 3.050 20 0 FGADRP Fc1ccccc1N1CC[C@H]([NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000423132249 500346468 /nfs/dbraw/zinc/34/64/68/500346468.db2.gz PCCHXUPOTUHPMR-NBCNXNJRSA-N 2 0 367.468 3.250 20 0 FGADRP C[C@H](CCCC[NH3+])[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000423129206 500346741 /nfs/dbraw/zinc/34/67/41/500346741.db2.gz FBFRYKHWYAANLT-TZIWHRDSSA-N 3 0 359.558 3.022 20 0 FGADRP CCCOc1c(OC)cc(CC[NH2+][C@H]2CCCCC[C@@H]2[NH3+])cc1OC ZINC000423149327 500348395 /nfs/dbraw/zinc/34/83/95/500348395.db2.gz HHIKFBPOPMIAIB-IRXDYDNUSA-N 2 0 350.503 3.285 20 0 FGADRP COc1cc(OC)c(C[C@@H](C)[NH2+][C@H](C)c2ccc(C[NH3+])nc2C)c(OC)c1 ZINC000423151572 500348672 /nfs/dbraw/zinc/34/86/72/500348672.db2.gz CRQNZPGCMTWNCM-ZIAGYGMSSA-N 2 0 373.497 3.156 20 0 FGADRP Cc1c(Br)cccc1C[C@H](CO)C[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000423152369 500348974 /nfs/dbraw/zinc/34/89/74/500348974.db2.gz FSCBDMKDYXGXMD-LESCRADOSA-N 2 0 369.347 3.016 20 0 FGADRP CCOC(=O)c1cnn(C2CC[NH+]([C@H](C)C[C@@H]3CCCCC[NH2+]3)CC2)c1 ZINC000423152408 500349293 /nfs/dbraw/zinc/34/92/93/500349293.db2.gz DZEMXWZPNXOQLQ-AEFFLSMTSA-N 2 0 362.518 3.008 20 0 FGADRP C[C@H]([NH3+])C[C@H](C)[NH2+]C1CCN(Cc2cccc(Br)c2)CC1 ZINC000423193213 500354291 /nfs/dbraw/zinc/35/42/91/500354291.db2.gz VLMKVXATEDYOBK-KBPBESRZSA-N 2 0 354.336 3.129 20 0 FGADRP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+]2C[C@H](C)[C@H](C)[C@@H]2C)CC1 ZINC000419331543 500354913 /nfs/dbraw/zinc/35/49/13/500354913.db2.gz CYGCMRDOOKLUQF-FHWLQOOXSA-N 2 0 357.542 3.052 20 0 FGADRP CC(C)[C@@H](C(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)[C@@H](C)[NH3+] ZINC000423312626 500363250 /nfs/dbraw/zinc/36/32/50/500363250.db2.gz SDVGTIXIFFGMAO-RDTXWAMCSA-N 2 0 351.922 3.040 20 0 FGADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2N[C@H]2CCc3c2cccc3OC)cc1 ZINC000423319170 500364154 /nfs/dbraw/zinc/36/41/54/500364154.db2.gz CJYYBOFIBVSILD-YYWHXJBOSA-N 2 0 352.478 3.426 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)c1ccc([C@@H](C)[NH3+])cc1)Cc1ccccc1 ZINC000423334291 500364756 /nfs/dbraw/zinc/36/47/56/500364756.db2.gz SNXJNQCFRJTQDK-DYESRHJHSA-N 2 0 353.510 3.389 20 0 FGADRP C[C@H]([NH3+])c1ccc(C(=O)NC[C@H]2CCCC[N@@H+]2Cc2ccccc2)cc1 ZINC000423353586 500366950 /nfs/dbraw/zinc/36/69/50/500366950.db2.gz LYMWEZDDMUJSGB-LAUBAEHRSA-N 2 0 351.494 3.491 20 0 FGADRP C[NH2+]CCc1ccccc1C(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000423376167 500368223 /nfs/dbraw/zinc/36/82/23/500368223.db2.gz KTLBFVPJCMBWTJ-LJQANCHMSA-N 2 0 357.542 3.177 20 0 FGADRP CC(C)[C@H]([NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1cc(F)ccc1F ZINC000423391036 500369423 /nfs/dbraw/zinc/36/94/23/500369423.db2.gz PAVFVVGMBZCFDM-CVEARBPZSA-N 2 0 365.390 3.088 20 0 FGADRP CC(C)[C@H]([NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc(F)c(F)c1 ZINC000423391012 500369489 /nfs/dbraw/zinc/36/94/89/500369489.db2.gz OYOSDJUXEDOZHS-HOTGVXAUSA-N 2 0 365.390 3.088 20 0 FGADRP CC(C)[C@H](C(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2)[C@H](C)[NH3+] ZINC000423396098 500370617 /nfs/dbraw/zinc/37/06/17/500370617.db2.gz RGXDUJVUONNUIN-RCZSKKKRSA-N 2 0 357.542 3.121 20 0 FGADRP COCC1(C[NH2+][C@@H](C)c2ccc(Br)cc2F)CC[NH2+]CC1 ZINC000423407201 500371256 /nfs/dbraw/zinc/37/12/56/500371256.db2.gz LXQQWYZQJPIHPB-LBPRGKRZSA-N 2 0 359.283 3.255 20 0 FGADRP COCC1(C[NH2+][C@H](C)c2ccc(Br)c(F)c2)CC[NH2+]CC1 ZINC000423412891 500372683 /nfs/dbraw/zinc/37/26/83/500372683.db2.gz XLXNGVHWELWXQJ-GFCCVEGCSA-N 2 0 359.283 3.255 20 0 FGADRP Fc1ccc([C@@H]2CC[NH2+]C[C@@H]2C[NH2+][C@H]2CCO[C@H](C(F)(F)F)C2)cc1 ZINC000423476223 500377137 /nfs/dbraw/zinc/37/71/37/500377137.db2.gz QXODQAJTSUILJN-IWCQGFGOSA-N 2 0 360.395 3.218 20 0 FGADRP Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@@H]2[NH2+]CCC[C@@H]2CCC[NH2+]2)cc1 ZINC000423482618 500377755 /nfs/dbraw/zinc/37/77/55/500377755.db2.gz PJXVVYZDZOHBFB-YSIASYRMSA-N 2 0 364.555 3.202 20 0 FGADRP C[C@H]([NH2+][C@@H]1CC[C@@H](C[NH3+])C1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000423487698 500377815 /nfs/dbraw/zinc/37/78/15/500377815.db2.gz CUMHYTOWRKUJDQ-ZMSDIMECSA-N 2 0 350.528 3.181 20 0 FGADRP Cc1ccc(S(=O)(=O)C[C@@H](C)[NH2+][C@H](CCC[NH3+])c2ccccc2)cc1 ZINC000423511033 500380498 /nfs/dbraw/zinc/38/04/98/500380498.db2.gz NBCDQFPRWBJDEG-YLJYHZDGSA-N 2 0 360.523 3.227 20 0 FGADRP Cc1ccc(S(=O)(=O)C[C@H](C)[NH2+][C@@H](CCC[NH3+])c2ccccc2)cc1 ZINC000423511031 500380692 /nfs/dbraw/zinc/38/06/92/500380692.db2.gz NBCDQFPRWBJDEG-PXNSSMCTSA-N 2 0 360.523 3.227 20 0 FGADRP CC(C)[C@H](COCc1ccccc1)[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000423513710 500381121 /nfs/dbraw/zinc/38/11/21/500381121.db2.gz RVBDMLPTXAYQFK-HRTMPFAESA-N 2 0 359.558 3.034 20 0 FGADRP C[C@@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)c1cccc(OC(F)(F)F)c1 ZINC000423525247 500382542 /nfs/dbraw/zinc/38/25/42/500382542.db2.gz XZQTXSGNHIRYRZ-ODIFPOPNSA-N 2 0 371.447 3.452 20 0 FGADRP CC(C)[C@@H]([NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1)c1cccnc1 ZINC000423545545 500383856 /nfs/dbraw/zinc/38/38/56/500383856.db2.gz CYGFDSNORCNSCK-OAQYLSRUSA-N 2 0 352.526 3.362 20 0 FGADRP COc1ccc([C@@H](C)[NH2+]Cc2ccncc2OCC[NH+](C)C)c(C)c1OC ZINC000570545907 506192658 /nfs/dbraw/zinc/19/26/58/506192658.db2.gz AVPJUSJVZAUKHQ-MRXNPFEDSA-N 2 0 373.497 3.198 20 0 FGADRP C[C@H](CC(=O)N1CCN([C@@H](C)c2cccc(F)c2)CC1)C1CC[NH2+]CC1 ZINC000423744497 500398317 /nfs/dbraw/zinc/39/83/17/500398317.db2.gz NZZJOAPPZZWAIZ-SJORKVTESA-N 2 0 361.505 3.057 20 0 FGADRP C[NH+](C)[C@H](CC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000431656135 500403932 /nfs/dbraw/zinc/40/39/32/500403932.db2.gz VFRJZASMGLPTNL-NHCUHLMSSA-N 2 0 351.494 3.070 20 0 FGADRP CC(C)[C@H](C(=O)NC[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)[C@@H](C)[NH3+] ZINC000423810719 500404303 /nfs/dbraw/zinc/40/43/03/500404303.db2.gz BDCPRVHUQVCTLA-WZPWBUNQSA-N 2 0 369.912 3.208 20 0 FGADRP CC[C@@H]1CN(C(=O)C[C@H](C)[C@H]2CCC[NH2+]C2)CC[N@@H+]1Cc1ccccc1 ZINC000423831423 500408399 /nfs/dbraw/zinc/40/83/99/500408399.db2.gz WBCLPTKCEHDKCD-SESVDKBCSA-N 2 0 357.542 3.135 20 0 FGADRP CC[NH+](CC)C[C@H]1CCCC[C@H]1NC(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000431773612 500422767 /nfs/dbraw/zinc/42/27/67/500422767.db2.gz WHAQVONWRJFJHU-UYAOXDASSA-N 2 0 364.578 3.061 20 0 FGADRP O=C(c1cccc(Cl)c1Cl)N1CC[NH+](CC[C@H]2CCC[NH2+]C2)CC1 ZINC000420296854 500435747 /nfs/dbraw/zinc/43/57/47/500435747.db2.gz CEDBAZNHTXQIRD-CQSZACIVSA-N 2 0 370.324 3.141 20 0 FGADRP O=C(Nc1cc(Cl)cc(Cl)c1)[C@@H]1CCC[N@@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000420297884 500435797 /nfs/dbraw/zinc/43/57/97/500435797.db2.gz DTHKXXYTMPSQRA-LRDDRELGSA-N 2 0 356.297 3.396 20 0 FGADRP COC(=O)c1ccc(-c2nc(C[N@@H+]3CCC[C@H](CC[NH3+])C3)cs2)cc1 ZINC000420312064 500439167 /nfs/dbraw/zinc/43/91/67/500439167.db2.gz OEGQLRLIDSWRGX-CQSZACIVSA-N 2 0 359.495 3.158 20 0 FGADRP Cc1ccc(-c2noc(CCC[N@H+]3CC[C@H]4C[NH2+]C[C@H]4CC3)n2)cc1F ZINC000420327104 500441603 /nfs/dbraw/zinc/44/16/03/500441603.db2.gz CYZTUIUYUZINGQ-CALCHBBNSA-N 2 0 358.461 3.048 20 0 FGADRP Cc1cc(Br)ccc1NC(=O)C[N@H+](C)CC[C@@H]1CCC[NH2+]C1 ZINC000420328446 500442368 /nfs/dbraw/zinc/44/23/68/500442368.db2.gz ZMNCNBKQZMHUAI-AWEZNQCLSA-N 2 0 368.319 3.018 20 0 FGADRP CCc1ccc([C@H](C)NC(=O)[C@H](C)[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000420331421 500443281 /nfs/dbraw/zinc/44/32/81/500443281.db2.gz BXORDXZSRLBSFW-IDPBPBMLSA-N 2 0 357.542 3.136 20 0 FGADRP CC(C)[C@H](NC(=O)C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1)c1ccc(F)cc1 ZINC000420333890 500443536 /nfs/dbraw/zinc/44/35/36/500443536.db2.gz GABLATJQJWWKHW-FPOVZHCZSA-N 2 0 361.505 3.103 20 0 FGADRP C[C@H](C(=O)Nc1ccc(C(F)(F)F)cc1)[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000420331069 500443569 /nfs/dbraw/zinc/44/35/69/500443569.db2.gz BLMHJXVMRADRIE-CXAGYDPISA-N 2 0 369.431 3.496 20 0 FGADRP CC[C@@H](C(=O)N1CCC([C@H]2[NH2+]CC2(C)C)CC1)[N@H+](C)Cc1ccccc1 ZINC000424048720 500443630 /nfs/dbraw/zinc/44/36/30/500443630.db2.gz ZICCUKFOFKLSKX-VQTJNVASSA-N 2 0 357.542 3.134 20 0 FGADRP C[C@H](C(=O)N1CCC[C@H]1c1cccs1)[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000420345326 500445546 /nfs/dbraw/zinc/44/55/46/500445546.db2.gz VUNBUTHXPZSPBJ-NXHRZFHOSA-N 2 0 361.555 3.264 20 0 FGADRP C[C@H](NC(=O)C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1)c1cccc2ccccc21 ZINC000420343863 500445764 /nfs/dbraw/zinc/44/57/64/500445764.db2.gz RPVVPQLKBYAJLU-HTAPYJJXSA-N 2 0 365.521 3.481 20 0 FGADRP O=C(CC[NH+]1CCC([C@H]2CC[NH2+]C2)CC1)Nc1cccc(C(F)(F)F)c1 ZINC000582360876 506195921 /nfs/dbraw/zinc/19/59/21/506195921.db2.gz WDJPQQQSNDLQGA-HNNXBMFYSA-N 2 0 369.431 3.356 20 0 FGADRP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](CCOc2cccc3ccccc32)CC1 ZINC000420384773 500452308 /nfs/dbraw/zinc/45/23/08/500452308.db2.gz SCUBEINYMCNKSJ-IFMALSPDSA-N 2 0 354.494 3.437 20 0 FGADRP C[C@@H]([NH2+]CC[C@H]1CCC[NH2+]C1)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000420416915 500457485 /nfs/dbraw/zinc/45/74/85/500457485.db2.gz WBFZKOPLBHILTK-IAGOWNOFSA-N 2 0 352.482 3.374 20 0 FGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000420415289 500457645 /nfs/dbraw/zinc/45/76/45/500457645.db2.gz VARZDKFFGSCMGQ-ROUUACIJSA-N 3 0 362.537 3.008 20 0 FGADRP C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)N[C@@H]2CCCC[C@H]2[NH3+])c1 ZINC000424213667 500470217 /nfs/dbraw/zinc/47/02/17/500470217.db2.gz ALPSAEOUWVNCAP-NHCUHLMSSA-N 2 0 351.494 3.318 20 0 FGADRP CC[NH+](CC)[C@H](C(=O)N1CCC(C[NH3+])CC1)c1cccc(C(F)(F)F)c1 ZINC000428148696 500474563 /nfs/dbraw/zinc/47/45/63/500474563.db2.gz ZCLOSKDSFVHDTN-KRWDZBQOSA-N 2 0 371.447 3.286 20 0 FGADRP CC[NH+]1CCN(Cc2ccc(C[NH2+][C@@H]3C[C@@H]4C[C@H](OC)C[C@@H]4C3)cc2)CC1 ZINC000424270934 500478803 /nfs/dbraw/zinc/47/88/03/500478803.db2.gz RFNWJKABGSNPOQ-MESAYYPLSA-N 2 0 371.569 3.117 20 0 FGADRP Cc1ccc([C@H](NC(=O)C[N@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)C2CC2)cc1 ZINC000424287647 500481530 /nfs/dbraw/zinc/48/15/30/500481530.db2.gz JIOMECSGSAPMEE-UWJYYQICSA-N 2 0 355.526 3.026 20 0 FGADRP C[N@@H+]1CCCN(CCC[NH2+][C@@H](Cc2ccncc2)c2cccs2)CC1 ZINC000424323793 500486545 /nfs/dbraw/zinc/48/65/45/500486545.db2.gz WGESRSZZBNHWIU-IBGZPJMESA-N 2 0 358.555 3.044 20 0 FGADRP C[C@@H]1[C@H](NC(=O)N(C)CC[C@H]2CCCC[NH+]2C)CC[N@@H+]1Cc1ccccc1 ZINC000576612354 506198540 /nfs/dbraw/zinc/19/85/40/506198540.db2.gz JOXXKBGDTKYQDM-HMXCVIKNSA-N 2 0 372.557 3.165 20 0 FGADRP C[C@H]1C[N@H+](CCC[NH2+][C@@H]2CCCOc3cc4c(cc32)CCC4)CCCO1 ZINC000432421678 500514387 /nfs/dbraw/zinc/51/43/87/500514387.db2.gz AOHDMENCZKOWTH-LAUBAEHRSA-N 2 0 358.526 3.480 20 0 FGADRP CC[NH+](CC)[C@H](C(=O)N1CCC[C@@H](C[NH3+])C1)c1cccc(C(F)(F)F)c1 ZINC000428522052 500520106 /nfs/dbraw/zinc/52/01/06/500520106.db2.gz ABVFGDBQIOQJQB-YOEHRIQHSA-N 2 0 371.447 3.286 20 0 FGADRP CC(C)[NH+]1CCC(Nc2cncc(NC3CC[NH+](C(C)C)CC3)n2)CC1 ZINC000573470448 506200864 /nfs/dbraw/zinc/20/08/64/506200864.db2.gz NVHVSNHRPZULTJ-UHFFFAOYSA-N 2 0 360.550 3.046 20 0 FGADRP CCC[N@H+](CC)Cc1ccc(C(=O)N2CCC[C@@H]3C[NH+](C)CC[C@H]32)cc1 ZINC000428706500 500546225 /nfs/dbraw/zinc/54/62/25/500546225.db2.gz ARGPFUIRRURBIU-NHCUHLMSSA-N 2 0 357.542 3.475 20 0 FGADRP CC[N@H+](Cc1ccc(C(=O)N2CCC[C@@H]3C[NH+](C)CC[C@H]32)cc1)C1CC1 ZINC000428719577 500548218 /nfs/dbraw/zinc/54/82/18/500548218.db2.gz JWRQXLKRUBQDHF-TZIWHRDSSA-N 2 0 355.526 3.227 20 0 FGADRP C[C@H]([NH2+]C[C@H](O)Cn1c2ccccc2c2ccccc21)C1=CC[N@H+](C)CC1 ZINC000576631491 506202727 /nfs/dbraw/zinc/20/27/27/506202727.db2.gz OFSWESOYJSSXRJ-HKUYNNGSSA-N 2 0 363.505 3.395 20 0 FGADRP CC[C@@H]1CCC[C@@H]1[NH2+]CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000432797962 500565267 /nfs/dbraw/zinc/56/52/67/500565267.db2.gz GXPLGZMUOUCQAI-NQIIRXRSSA-N 2 0 357.542 3.244 20 0 FGADRP CCC[NH+]1CCN(c2ccccc2CN2CCC[C@@H]([NH+](C)C)CC2)CC1 ZINC000432796653 500565352 /nfs/dbraw/zinc/56/53/52/500565352.db2.gz BFQFGXUYCPHMNJ-OAQYLSRUSA-N 2 0 358.574 3.135 20 0 FGADRP CC[NH+](CC)[C@H](C(=O)N[C@H]1CC[NH2+][C@@H](C)C1)c1cccc(C(F)(F)F)c1 ZINC000447514969 500615382 /nfs/dbraw/zinc/61/53/82/500615382.db2.gz AHSOYSJPLXGBRF-JQFCIGGWSA-N 2 0 371.447 3.345 20 0 FGADRP Cc1c([C@@H](C)[NH2+]CC2CC[NH+](C3CC3)CC2)nnn1-c1ccc(C)cc1 ZINC000447568058 500626210 /nfs/dbraw/zinc/62/62/10/500626210.db2.gz HAOJZRQYXCVCRK-MRXNPFEDSA-N 2 0 353.514 3.409 20 0 FGADRP [NH3+]C1CC[NH+](CCCC(=O)N[C@H]2CCSc3ccc(Cl)cc32)CC1 ZINC000433121211 500630944 /nfs/dbraw/zinc/63/09/44/500630944.db2.gz QXCPBULPVFWIHC-INIZCTEOSA-N 2 0 367.946 3.196 20 0 FGADRP CC(C)COc1ccc([C@@H](C)NC(=O)CCC[NH+]2CCC([NH3+])CC2)cc1 ZINC000433141277 500633698 /nfs/dbraw/zinc/63/36/98/500633698.db2.gz NNIGUUPGPOLLEG-QGZVFWFLSA-N 2 0 361.530 3.102 20 0 FGADRP Cc1ccc([C@H]2CCC[C@@H]2N(C)C(=O)CCC[NH+]2CCC([NH3+])CC2)cc1 ZINC000433159292 500636516 /nfs/dbraw/zinc/63/65/16/500636516.db2.gz DKCYPBXBGXJGHN-RTWAWAEBSA-N 2 0 357.542 3.293 20 0 FGADRP C[N@@H+]1CCN(CC[NH2+][C@H]2CCc3ccc(OC(F)(F)F)cc32)CC1(C)C ZINC000442868802 500637268 /nfs/dbraw/zinc/63/72/68/500637268.db2.gz CZAPWXUDJVXEJV-KRWDZBQOSA-N 2 0 371.447 3.188 20 0 FGADRP C[C@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)c1ccc(OC(F)(F)F)cc1 ZINC000442875295 500637724 /nfs/dbraw/zinc/63/77/24/500637724.db2.gz NVHQEPFGSXMZNY-AWEZNQCLSA-N 2 0 359.436 3.262 20 0 FGADRP C[C@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)c1cc(Br)ccc1F ZINC000442880226 500638836 /nfs/dbraw/zinc/63/88/36/500638836.db2.gz WZUTZWPKQVPHEV-ZDUSSCGKSA-N 2 0 372.326 3.265 20 0 FGADRP [NH3+]CC[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2OC[C@H]2CCCO2)C1 ZINC000442933048 500649172 /nfs/dbraw/zinc/64/91/72/500649172.db2.gz ZLVIAUATZOFEIH-MAUKXSAKSA-N 2 0 352.906 3.459 20 0 FGADRP CCOc1ccccc1CN1CCN(Cc2cccc3nccn32)[C@@H](C)C1 ZINC000443070174 500674342 /nfs/dbraw/zinc/67/43/42/500674342.db2.gz OKVTVPCCIQOPTK-SFHVURJKSA-N 2 0 364.493 3.439 20 0 FGADRP C[C@@H](c1nc(-c2ccnc(OCC[NH+](C)C)c2)no1)[NH+]1[C@H](C)CC[C@H]1C ZINC000443203545 500695734 /nfs/dbraw/zinc/69/57/34/500695734.db2.gz MDKMYBDCPHBOOI-KFWWJZLASA-N 2 0 359.474 3.006 20 0 FGADRP C[C@H](NC(=O)NCc1ccccc1C[NH+]1CCCCC1)C(C)(C)C[NH+](C)C ZINC000443230252 500699343 /nfs/dbraw/zinc/69/93/43/500699343.db2.gz DEUQNDOUZAZNOR-SFHVURJKSA-N 2 0 374.573 3.448 20 0 FGADRP CC(C)C[C@@H]([NH3+])c1noc(-c2cnn(CC[NH+](C)C)c2-c2ccccc2)n1 ZINC000570682024 506213441 /nfs/dbraw/zinc/21/34/41/506213441.db2.gz NOFGGYATXSAKCU-QGZVFWFLSA-N 2 0 368.485 3.208 20 0 FGADRP [NH3+][C@@H](CCC(=O)NC1CC[NH+](Cc2ccccn2)CC1)CC1CCCCC1 ZINC000570713924 506214942 /nfs/dbraw/zinc/21/49/42/506214942.db2.gz CGCZSHXNAHSIMY-IBGZPJMESA-N 2 0 372.557 3.240 20 0 FGADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)N(C)[C@@H]1CC[NH+](CC)C[C@H]1C ZINC000448519241 500766892 /nfs/dbraw/zinc/76/68/92/500766892.db2.gz CJECOLLCWWUJNZ-GUDVDZBRSA-N 2 0 352.567 3.013 20 0 FGADRP CC(C)c1ccc([C@H](C)[N@@H+]2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000448551327 500771198 /nfs/dbraw/zinc/77/11/98/500771198.db2.gz IKSFIUIHVUCKIB-UEXGIBASSA-N 2 0 357.542 3.451 20 0 FGADRP CC(C)c1ccc([C@H](C)[N@@H+]2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)cc1 ZINC000448551328 500771269 /nfs/dbraw/zinc/77/12/69/500771269.db2.gz IKSFIUIHVUCKIB-WAOWUJCRSA-N 2 0 357.542 3.451 20 0 FGADRP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+][C@H]2CCCO[C@@H]2c2cnn(C)c2)CC1 ZINC000433960129 500771974 /nfs/dbraw/zinc/77/19/74/500771974.db2.gz ODMCKLPOXIYGQI-UMSONDCASA-N 2 0 360.546 3.273 20 0 FGADRP C[NH+](C)CC1CCC([NH2+]C[C@@H](O)Cc2ccccc2C(F)(F)F)CC1 ZINC000582416039 506217348 /nfs/dbraw/zinc/21/73/48/506217348.db2.gz SNKGMHJNWIXMBW-PREGVCBESA-N 2 0 358.448 3.319 20 0 FGADRP Cc1ccc2[nH]c3c(c2c1)CCC[C@H]3[NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000438834247 500824386 /nfs/dbraw/zinc/82/43/86/500824386.db2.gz ZUUKNWOIFGKSEV-OXJNMPFZSA-N 2 0 368.525 3.031 20 0 FGADRP O=C(Nc1ccccc1-c1ncc2n1CCCC2)N1CCN(C2CC2)CC1 ZINC000439047687 500850233 /nfs/dbraw/zinc/85/02/33/500850233.db2.gz ODUDMWKUCDOCHS-UHFFFAOYSA-N 2 0 365.481 3.198 20 0 FGADRP C[C@H](C[NH2+]CCC[N@H+](C)Cc1ccccc1)c1ccc(S(C)(=O)=O)cc1 ZINC000449068506 500916317 /nfs/dbraw/zinc/91/63/17/500916317.db2.gz STDYNCCOCYPACC-GOSISDBHSA-N 2 0 374.550 3.305 20 0 FGADRP CC(C)C(=O)N1CCC([NH2+]C2CC[NH+]([C@H](C)Cc3ccccc3)CC2)CC1 ZINC000449075071 500918044 /nfs/dbraw/zinc/91/80/44/500918044.db2.gz MGIZVORPDCSXAZ-LJQANCHMSA-N 2 0 371.569 3.319 20 0 FGADRP C[C@@H](COc1ccc(Cl)c(Cl)c1)[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000449076620 500918695 /nfs/dbraw/zinc/91/86/95/500918695.db2.gz PRJPLHMDQGXKCY-AWEZNQCLSA-N 2 0 374.356 3.376 20 0 FGADRP C[NH+]1CCN(c2cc(C[NH2+]C3CCC(OC4CCCC4)CC3)ccn2)CC1 ZINC000449081588 500920063 /nfs/dbraw/zinc/92/00/63/500920063.db2.gz GLUJKODOUGZIGJ-UHFFFAOYSA-N 2 0 372.557 3.193 20 0 FGADRP C[C@@H](Cc1coc2ccccc12)[NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000449083486 500921233 /nfs/dbraw/zinc/92/12/33/500921233.db2.gz UHMMMDLOZGGITQ-KRWDZBQOSA-N 2 0 364.493 3.300 20 0 FGADRP CC[NH+]1CCN(Cc2ccccc2C[NH2+]Cc2ccc(C)cc2OC)CC1 ZINC000449084855 500921283 /nfs/dbraw/zinc/92/12/83/500921283.db2.gz ZFQNDKLSVFUMKN-UHFFFAOYSA-N 2 0 367.537 3.431 20 0 FGADRP C[NH+]1CCC(N2CCC([NH2+]C3CCC(OC4CCCC4)CC3)CC2)CC1 ZINC000449105705 500926756 /nfs/dbraw/zinc/92/67/56/500926756.db2.gz FBSSZQLOOMEMKI-UHFFFAOYSA-N 2 0 363.590 3.405 20 0 FGADRP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]CCCN2CCCCC2=O)CC1 ZINC000449137574 500933201 /nfs/dbraw/zinc/93/32/01/500933201.db2.gz YKMZHSUVRQQYOG-LJQANCHMSA-N 2 0 357.542 3.074 20 0 FGADRP CSCC1CCC([NH2+]CC2(N3CCCCC3)CC[NH+](C)CC2)CC1 ZINC000449166710 500938999 /nfs/dbraw/zinc/93/89/99/500938999.db2.gz FSUZTESWQWAUIQ-UHFFFAOYSA-N 2 0 353.620 3.448 20 0 FGADRP C[C@@H]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C[N@@H+]1Cc1ccccc1 ZINC000439789878 500939173 /nfs/dbraw/zinc/93/91/73/500939173.db2.gz RWNJGMSJDZMMRA-QFUCXCTJSA-N 2 0 355.526 3.173 20 0 FGADRP COc1cccc(CC[NH2+]C2CC[NH+]([C@@H](C)Cc3ccccc3)CC2)n1 ZINC000449194730 500944744 /nfs/dbraw/zinc/94/47/44/500944744.db2.gz XZGCZTUOUWMAQE-SFHVURJKSA-N 2 0 353.510 3.318 20 0 FGADRP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@H]2CCOC3(CCOCC3)C2)CC1 ZINC000449197156 500945453 /nfs/dbraw/zinc/94/54/53/500945453.db2.gz UTTMPHVEDLLRAV-KNQAVFIVSA-N 2 0 372.553 3.400 20 0 FGADRP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@H]2CCN(c3ccccn3)C2)CC1 ZINC000449215205 500950106 /nfs/dbraw/zinc/95/01/06/500950106.db2.gz NDIFTGIFXNADDY-KNQAVFIVSA-N 2 0 364.537 3.346 20 0 FGADRP CC[NH+]1CCN(CCC[NH2+]Cc2cnc(-c3ccccc3F)s2)CC1 ZINC000449218179 500950672 /nfs/dbraw/zinc/95/06/72/500950672.db2.gz GBEPXAUIRFBDFO-UHFFFAOYSA-N 2 0 362.518 3.066 20 0 FGADRP C[NH+]1CCN(CCC(C)(C)[NH2+]Cc2cccc(Br)c2F)CC1 ZINC000449247557 500956535 /nfs/dbraw/zinc/95/65/35/500956535.db2.gz GLBGNXUCSNTJJV-UHFFFAOYSA-N 2 0 372.326 3.094 20 0 FGADRP C[NH2+]CC1CC[NH+](Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)CC1 ZINC000435370440 500961068 /nfs/dbraw/zinc/96/10/68/500961068.db2.gz PEZYFJVIWKJGAR-UHFFFAOYSA-N 2 0 352.404 3.323 20 0 FGADRP COc1ccc(C(=O)Nc2cccc(C[N@@H+]3C[C@@H](C[NH3+])C[C@H]3C)c2)cc1 ZINC000435370265 500961243 /nfs/dbraw/zinc/96/12/43/500961243.db2.gz IFMDPYOWOMVDJH-NVXWUHKLSA-N 2 0 353.466 3.117 20 0 FGADRP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@H](CO)Cc2ccccc2)CC1 ZINC000449266709 500961596 /nfs/dbraw/zinc/96/15/96/500961596.db2.gz WSLHJSLREHKHMD-XXBNENTESA-N 2 0 352.522 3.275 20 0 FGADRP COc1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cc1OCc1ccccc1 ZINC000435380881 500964017 /nfs/dbraw/zinc/96/40/17/500964017.db2.gz UFHLABSRIJXQBO-ZCNNSNEGSA-N 2 0 352.478 3.443 20 0 FGADRP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3cnn(Cc4ccc(C(F)(F)F)cc4)c3)C[C@H]12 ZINC000435388600 500966101 /nfs/dbraw/zinc/96/61/01/500966101.db2.gz HLVRJUMSJFQMPY-RYQLBKOJSA-N 2 0 364.415 3.119 20 0 FGADRP CCN(Cc1ccc(C[NH+](C)C)cc1)Cc1cccc(S(C)(=O)=O)c1 ZINC000449323884 500977972 /nfs/dbraw/zinc/97/79/72/500977972.db2.gz BJFRARPNUYZSSA-UHFFFAOYSA-N 2 0 360.523 3.174 20 0 FGADRP C[C@H](C[NH2+]CCCCC[NH+]1CCCC1)c1ccc(S(C)(=O)=O)cc1 ZINC000449343733 500982563 /nfs/dbraw/zinc/98/25/63/500982563.db2.gz MRFUORIPYAMSMK-QGZVFWFLSA-N 2 0 352.544 3.049 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)N(CC[NH+](C)C)C(C)C)c1ccsc1 ZINC000440220884 500988627 /nfs/dbraw/zinc/98/86/27/500988627.db2.gz XLHIQGWZKRMMAN-KRWDZBQOSA-N 2 0 354.564 3.113 20 0 FGADRP CCN(CC(=O)N(Cc1ccccc1)[C@H](C)C1CC1)[C@H]1CCC[NH2+]CC1 ZINC000435617247 501002708 /nfs/dbraw/zinc/00/27/08/501002708.db2.gz VOPDLHFABMNRJH-NQIIRXRSSA-N 2 0 357.542 3.278 20 0 FGADRP CCC[NH+]1CCC([NH2+][C@@H](C)Cc2c(OC)cc(OC)cc2OC)CC1 ZINC000449467016 501009100 /nfs/dbraw/zinc/00/91/00/501009100.db2.gz JZUJXSLTQUPZAC-HNNXBMFYSA-N 2 0 350.503 3.107 20 0 FGADRP CCn1ccnc1C[N@H+](CCc1ccc(OC)cc1)[C@H]1CC12CC[NH2+]CC2 ZINC000435699296 501014076 /nfs/dbraw/zinc/01/40/76/501014076.db2.gz ZLWYXCSSLCKUJM-FQEVSTJZSA-N 2 0 368.525 3.098 20 0 FGADRP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@@H]([C@H](CO)C2CC2)C2CC2)CC1 ZINC000449507055 501020651 /nfs/dbraw/zinc/02/06/51/501020651.db2.gz LMECCFCAEZQUNI-NLSFWIRASA-N 2 0 356.554 3.469 20 0 FGADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+][C@H]3CCO[C@@H](c4ccnn4C)C3)CC2)C1 ZINC000449592556 501039960 /nfs/dbraw/zinc/03/99/60/501039960.db2.gz ODHNAWRGWYUXGR-BOFXEDATSA-N 2 0 360.546 3.273 20 0 FGADRP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000440778842 501047756 /nfs/dbraw/zinc/04/77/56/501047756.db2.gz BUQPCANFDUYZCB-ACBHZAAOSA-N 2 0 352.567 3.061 20 0 FGADRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2csc(-c3cccs3)n2)CC1 ZINC000449744433 501072726 /nfs/dbraw/zinc/07/27/26/501072726.db2.gz HEBKYGYNCXYIKM-UHFFFAOYSA-N 2 0 364.584 3.377 20 0 FGADRP CC[NH+]1CCN(CC(C)(C)[NH2+]CCCc2c(F)cccc2Cl)CC1 ZINC000449744687 501073123 /nfs/dbraw/zinc/07/31/23/501073123.db2.gz JCRBFFZYIVCFAU-UHFFFAOYSA-N 2 0 355.929 3.417 20 0 FGADRP CC(C)[NH+]1CCC([NH2+][C@@H]2CN(CC(F)(F)F)C[C@H]2c2ccccc2)CC1 ZINC000449753547 501076628 /nfs/dbraw/zinc/07/66/28/501076628.db2.gz GTWNCOWDTZJZDW-RBUKOAKNSA-N 2 0 369.475 3.479 20 0 FGADRP Cn1ccnc1[C@H]1C[C@@H]([NH2+]CC(C)(C)C[N@H+](C)Cc2ccccc2)CCO1 ZINC000449772262 501082928 /nfs/dbraw/zinc/08/29/28/501082928.db2.gz KSOHLMFRTFPGRH-VQTJNVASSA-N 2 0 370.541 3.388 20 0 FGADRP COc1ccc(C[NH+]2CCC(C[NH2+]Cc3ccc(OC)nc3)CC2)cc1 ZINC000436276457 501100340 /nfs/dbraw/zinc/10/03/40/501100340.db2.gz TXUCIBPPPLIGSF-UHFFFAOYSA-N 2 0 355.482 3.101 20 0 FGADRP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+][C@H]2CC[C@@H](C(=O)N3CCCC3)C2)CC1 ZINC000436305345 501104911 /nfs/dbraw/zinc/10/49/11/501104911.db2.gz GEHHFXBGTBUOQW-RMVXJAJNSA-N 2 0 361.574 3.410 20 0 FGADRP C[N@@H+]1CCN(CC[NH2+]Cc2cccc(OCc3ccccc3)c2)CC1(C)C ZINC000441332243 501121785 /nfs/dbraw/zinc/12/17/85/501121785.db2.gz JQBFRPJAICZJQA-UHFFFAOYSA-N 2 0 367.537 3.381 20 0 FGADRP C[N@H+](CCCCCn1nnc(-c2ccccc2)n1)CC[C@@H]1CCCC[NH+]1C ZINC000441334507 501122221 /nfs/dbraw/zinc/12/22/21/501122221.db2.gz VZIKVLFJOACJNZ-FQEVSTJZSA-N 2 0 370.545 3.317 20 0 FGADRP COc1ccc(-c2ccccc2)cc1C[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000441349834 501125094 /nfs/dbraw/zinc/12/50/94/501125094.db2.gz UPXVRKMKRPVMQH-UHFFFAOYSA-N 2 0 367.537 3.478 20 0 FGADRP C[N@@H+](CCC(=O)N[C@H]1CCCc2ccccc21)CC[C@@H]1CCCC[NH+]1C ZINC000441367102 501127825 /nfs/dbraw/zinc/12/78/25/501127825.db2.gz GZCGHAOTPHNDTP-FPOVZHCZSA-N 2 0 357.542 3.377 20 0 FGADRP C[C@@H](CNC(=O)Nc1ccccc1CC[NH+](C)C)[N@H+](C)Cc1ccccc1 ZINC000446596397 501139744 /nfs/dbraw/zinc/13/97/44/501139744.db2.gz ZIOGPTLVWCLPAJ-SFHVURJKSA-N 2 0 368.525 3.433 20 0 FGADRP Cc1cc(N2CCC[C@H]([NH2+]C3CC[NH+]([C@@H]4CCC[C@H](C)C4)CC3)C2)n(C)n1 ZINC000446840289 501171763 /nfs/dbraw/zinc/17/17/63/501171763.db2.gz YJXIHSANLARZRK-DZFGPLHGSA-N 2 0 373.589 3.330 20 0 FGADRP O[C@H](Cc1ccccc1)C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000450984879 501236889 /nfs/dbraw/zinc/23/68/89/501236889.db2.gz YPQIGLCWDWMJIS-PKTZIBPZSA-N 2 0 350.506 3.188 20 0 FGADRP C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)NC(C)(C)C[NH+](C)C)cc2)C1 ZINC000457641756 501274547 /nfs/dbraw/zinc/27/45/47/501274547.db2.gz DJRDESCWWPYXOQ-QGZVFWFLSA-N 2 0 360.546 3.058 20 0 FGADRP CCc1nc(CC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)no1 ZINC000453129074 501275414 /nfs/dbraw/zinc/27/54/14/501275414.db2.gz DIIALLUAXBYGNB-OTWHNJEPSA-N 2 0 354.498 3.207 20 0 FGADRP O=C(NCCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21)C1CCC1 ZINC000453153717 501280608 /nfs/dbraw/zinc/28/06/08/501280608.db2.gz RAFZBPABDQEPOL-YPAWHYETSA-N 2 0 369.553 3.326 20 0 FGADRP c1ccc(C[N@@H+]2CC[C@H]([NH2+][C@@H]3CCO[C@]4(CCOC4)C3)[C@@H]3CCC[C@@H]32)cc1 ZINC000453161142 501281878 /nfs/dbraw/zinc/28/18/78/501281878.db2.gz IRPSNRGWMWHKNC-OOYIDZMOSA-N 2 0 370.537 3.357 20 0 FGADRP COc1ccc2c(c1)C[C@H]([NH2+]C[C@H]1CC[N@H+](Cc3ccccc3)C1)CO2 ZINC000453207938 501291078 /nfs/dbraw/zinc/29/10/78/501291078.db2.gz BYDNDIJXIDSGER-QUCCMNQESA-N 2 0 352.478 3.110 20 0 FGADRP CC(=O)N1CCC[C@H](C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)C1 ZINC000453211796 501291734 /nfs/dbraw/zinc/29/17/34/501291734.db2.gz HAGAULINZIZQTI-KAOXLYBCSA-N 2 0 369.553 3.278 20 0 FGADRP C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)NC(C)(C)CCC[NH+](C)C)C1 ZINC000457734793 501297735 /nfs/dbraw/zinc/29/77/35/501297735.db2.gz KWAMYYUSRVXIQN-ROUUACIJSA-N 2 0 354.583 3.164 20 0 FGADRP CC[C@@H]([NH2+][C@@H]1CCCN(CCCO)C1)c1ccc(OC(F)(F)F)cc1 ZINC000453282272 501307486 /nfs/dbraw/zinc/30/74/86/501307486.db2.gz DIBOFHXYVJVRJX-NVXWUHKLSA-N 2 0 360.420 3.473 20 0 FGADRP CC[C@H]([NH2+][C@@H]1CCCN(CCCO)C1)c1ccc(OC(F)(F)F)cc1 ZINC000453282274 501307566 /nfs/dbraw/zinc/30/75/66/501307566.db2.gz DIBOFHXYVJVRJX-WBVHZDCISA-N 2 0 360.420 3.473 20 0 FGADRP CC(=O)N1CCCN(C[C@@H]2CCC[N@@H+]([C@H](C)c3cccc(C)c3)C2)CC1 ZINC000451534221 501314892 /nfs/dbraw/zinc/31/48/92/501314892.db2.gz NEGYMYVBTICQGI-CTNGQTDRSA-N 2 0 357.542 3.322 20 0 FGADRP C[C@H]1C[C@H](NC(=O)N2CCC(CCC[NH+]3CCCC3)CC2)c2nccn21 ZINC000455484928 501315544 /nfs/dbraw/zinc/31/55/44/501315544.db2.gz NJURBNQCQFHVKW-WMZOPIPTSA-N 2 0 359.518 3.187 20 0 FGADRP CNC(=O)C[C@H](C)[NH2+][C@@H](CCC[NH+]1CCC(C)CC1)c1ccc(F)cc1 ZINC000453386335 501323703 /nfs/dbraw/zinc/32/37/03/501323703.db2.gz VECIOQNBZRTFAU-PXNSSMCTSA-N 2 0 363.521 3.493 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+]C[C@@H](O)COc1ccc(Cl)cc1 ZINC000582481201 506246852 /nfs/dbraw/zinc/24/68/52/506246852.db2.gz IHVNILFLKWBFFZ-SJLPKXTDSA-N 2 0 354.922 3.324 20 0 FGADRP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)NCC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000457978599 501348928 /nfs/dbraw/zinc/34/89/28/501348928.db2.gz KFAZPSZDGGVNBY-NRFANRHFSA-N 2 0 372.557 3.023 20 0 FGADRP C[C@@H](C(=O)NCC[C@@H]1CCC[N@H+](C)C1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000458172538 501384179 /nfs/dbraw/zinc/38/41/79/501384179.db2.gz QUEXZQNDVCRSLG-UGKGYDQZSA-N 2 0 371.569 3.178 20 0 FGADRP CCc1ccc(CC[NH+]2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)cc1 ZINC000607754012 506254015 /nfs/dbraw/zinc/25/40/15/506254015.db2.gz SRZQRNHFBUNHDE-UHFFFAOYSA-N 2 0 373.585 3.208 20 0 FGADRP C[NH+](C)[C@@H]1CCc2cc(NC(=O)NCC[N@@H+]3CCCC(C)(C)C3)ccc21 ZINC000455854639 501400783 /nfs/dbraw/zinc/40/07/83/501400783.db2.gz NGLGKLHDWCCQQG-LJQANCHMSA-N 2 0 358.530 3.479 20 0 FGADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000455910853 501413210 /nfs/dbraw/zinc/41/32/10/501413210.db2.gz IXXVMUWUFCXLSQ-HBFSDRIKSA-N 2 0 356.514 3.326 20 0 FGADRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2cc(C)ccc2OC(F)F)CC1 ZINC000451984579 501413412 /nfs/dbraw/zinc/41/34/12/501413412.db2.gz LNTDVSBIUACHAA-UHFFFAOYSA-N 2 0 355.473 3.102 20 0 FGADRP C[NH+](C)[C@@H]1CCc2cc(NC(=O)N3CC[C@@H](C[NH+]4CCCC4)C3)ccc21 ZINC000455934016 501420057 /nfs/dbraw/zinc/42/00/57/501420057.db2.gz RBNUXULJCGBJJZ-OXJNMPFZSA-N 2 0 356.514 3.185 20 0 FGADRP C[NH+](C)[C@@H]1CCc2cc(NC(=O)N3CCC([NH+]4CCCC4)CC3)ccc21 ZINC000455934034 501420091 /nfs/dbraw/zinc/42/00/91/501420091.db2.gz RDQLVHYMMXMSBT-HXUWFJFHSA-N 2 0 356.514 3.328 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)[C@H](C)C1 ZINC000455944825 501422602 /nfs/dbraw/zinc/42/26/02/501422602.db2.gz WBFLLKVGDKSTDK-XPGWFJOJSA-N 2 0 358.530 3.430 20 0 FGADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)NCC[C@@H]1CCC[N@H+](C)C1)c1ccccc1 ZINC000458367858 501428468 /nfs/dbraw/zinc/42/84/68/501428468.db2.gz IIVWOEZIWIPPCM-MSOLQXFVSA-N 2 0 360.546 3.147 20 0 FGADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CC[C@]3(C2)CCC[NH+](C)C3)C1 ZINC000458373650 501430222 /nfs/dbraw/zinc/43/02/22/501430222.db2.gz IVOUPEILNNHVAI-WIYYLYMNSA-N 2 0 364.578 3.014 20 0 FGADRP C[C@H](CCNC(=O)NCc1ccc2c[nH+]cn2c1)[N@H+](C)Cc1ccccc1 ZINC000458509779 501462392 /nfs/dbraw/zinc/46/23/92/501462392.db2.gz PCGZWGIUXVQQHL-QGZVFWFLSA-N 2 0 365.481 3.044 20 0 FGADRP CCC[NH+]1CCC(NC(=O)N2CC[N@H+](Cc3ccccc3)C[C@H](C)C2)CC1 ZINC000454217528 501485267 /nfs/dbraw/zinc/48/52/67/501485267.db2.gz IARSTTLGOIHVLO-IBGZPJMESA-N 2 0 372.557 3.024 20 0 FGADRP CC[C@@H]1C[N@H+](CC)CCN1C(=O)N[C@@H](C)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000458654959 501499930 /nfs/dbraw/zinc/49/99/30/501499930.db2.gz BWDGGRFZDPKMOH-SESVDKBCSA-N 2 0 372.557 3.023 20 0 FGADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)NC2CC[NH+](C3CCC3)CC2)C1 ZINC000454367194 501524744 /nfs/dbraw/zinc/52/47/44/501524744.db2.gz NSAWSBYMKDYSNU-YLJYHZDGSA-N 2 0 370.541 3.138 20 0 FGADRP Cc1ccccc1[C@H]([C@@H](C)NC(=O)NCC[C@H]1CCC[N@H+](C)C1)[NH+](C)C ZINC000458785440 501531242 /nfs/dbraw/zinc/53/12/42/501531242.db2.gz WMROUIWHIMNIFE-GGPKGHCWSA-N 2 0 360.546 3.017 20 0 FGADRP O=C(NCCCCC[NH+]1CCCC1)NC1CC[NH+](CC2CCCC2)CC1 ZINC000454412348 501538213 /nfs/dbraw/zinc/53/82/13/501538213.db2.gz WPMDICSVHJNVEI-UHFFFAOYSA-N 2 0 364.578 3.206 20 0 FGADRP C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)N2CCC(c3ncc[nH]3)CC2)C1 ZINC000588285643 506261181 /nfs/dbraw/zinc/26/11/81/506261181.db2.gz WSRCFSQTRJZGFY-HOTGVXAUSA-N 2 0 361.534 3.055 20 0 FGADRP C[C@H]1C[C@@H](NC(=O)NCCCC[NH+](C)C2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000454593432 501586929 /nfs/dbraw/zinc/58/69/29/501586929.db2.gz LMGMDURAWLTIFU-ICSRJNTNSA-N 2 0 372.557 3.213 20 0 FGADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000459093351 501592859 /nfs/dbraw/zinc/59/28/59/501592859.db2.gz GOBSXBFSOVJTDI-PXNSSMCTSA-N 2 0 364.578 3.203 20 0 FGADRP CSC[C@@H](O)C[N@@H+]1CC(C)(C)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000453027466 501603959 /nfs/dbraw/zinc/60/39/59/501603959.db2.gz VMWKMDSTFJYLSJ-PMACEKPBSA-N 2 0 362.583 3.333 20 0 FGADRP C[C@@H](NC(=O)N1CC[NH+](C(C)(C)CC(C)(C)C)CC1)C1=CC[N@H+](C)CC1 ZINC000454801495 501633154 /nfs/dbraw/zinc/63/31/54/501633154.db2.gz DAWHYMGVKPKSOG-QGZVFWFLSA-N 2 0 364.578 3.179 20 0 FGADRP C[NH+](C)C[C@@H]1CCN(Cc2cn(C3CCCC3)nc2-c2ccccn2)C1 ZINC000459349929 501636839 /nfs/dbraw/zinc/63/68/39/501636839.db2.gz NXRAIBBYLKNQDU-KRWDZBQOSA-N 2 0 353.514 3.444 20 0 FGADRP Fc1ccc(CN2CCC([NH2+]C3CCN(c4cc[nH+]cc4)CC3)CC2)cc1 ZINC000459383080 501643493 /nfs/dbraw/zinc/64/34/93/501643493.db2.gz FAEGNEGSZFGRTN-UHFFFAOYSA-N 2 0 368.500 3.444 20 0 FGADRP CC(C)(C)C1CC([NH2+]Cc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)C1 ZINC000459428870 501652282 /nfs/dbraw/zinc/65/22/82/501652282.db2.gz OQZVJIFGKMYFRA-XEVCZEQESA-N 2 0 357.542 3.298 20 0 FGADRP CCOc1cc(C[N@H+](C)C[C@@H]2CCN(C)[C@H]2c2cccnc2)ccc1O ZINC000459491832 501663193 /nfs/dbraw/zinc/66/31/93/501663193.db2.gz VTAWZUHFCAQULU-RXVVDRJESA-N 2 0 355.482 3.311 20 0 FGADRP CCO[C@@H]1C[C@H]([NH2+]C2CCN(c3cc[nH+]cc3)CC2)[C@H]1Oc1ccccc1 ZINC000459497259 501664097 /nfs/dbraw/zinc/66/40/97/501664097.db2.gz IYHZIJDXKHYKSM-BHDDXSALSA-N 2 0 367.493 3.265 20 0 FGADRP COC(=O)[C@@H](Cc1ccccc1)[C@H](C)[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000459515918 501667944 /nfs/dbraw/zinc/66/79/44/501667944.db2.gz DCHJPRDZBXWBAH-UWJYYQICSA-N 2 0 367.493 3.060 20 0 FGADRP COc1ccc([C@H](CO)C[NH2+]C2CC[NH+]([C@@H]3CCC[C@@H](C)C3)CC2)cc1 ZINC000459765334 501711065 /nfs/dbraw/zinc/71/10/65/501711065.db2.gz XGMQOAVSZSOJDT-SLYNCCJLSA-N 2 0 360.542 3.404 20 0 FGADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)NC2CC([NH+]3CCCCC3)C2)C1 ZINC000474173304 501730201 /nfs/dbraw/zinc/73/02/01/501730201.db2.gz GAQPSSNATFZPNY-IDGBJLRDSA-N 2 0 370.541 3.138 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)c1ccnc(C[NH3+])c1)c1ccccc1Cl ZINC000463486766 501739060 /nfs/dbraw/zinc/73/90/60/501739060.db2.gz KSYRQVXSVYIIDX-SFHVURJKSA-N 2 0 360.889 3.007 20 0 FGADRP C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)NCC[NH+]2CC=CCC2)c1 ZINC000477639356 501746652 /nfs/dbraw/zinc/74/66/52/501746652.db2.gz UESOMXHDPIYRJP-UHFFFAOYSA-N 2 0 363.505 3.310 20 0 FGADRP Cc1ccc(CCC[NH+]2CCN(CC[N@@H+](C)Cc3ccccc3)CC2)cn1 ZINC000474281837 501775237 /nfs/dbraw/zinc/77/52/37/501775237.db2.gz FJYGZMMVUCRVHY-UHFFFAOYSA-N 2 0 366.553 3.072 20 0 FGADRP CC[NH+](CC)C[C@H]1CCCC[C@@H]1NC(=O)c1ccc2c(c1)CC[NH2+]CC2 ZINC000474291460 501777810 /nfs/dbraw/zinc/77/78/10/501777810.db2.gz GXHRQXWQGYKGDG-RTWAWAEBSA-N 2 0 357.542 3.005 20 0 FGADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)c1ccc2c(c1)CC[NH2+]CC2 ZINC000474291462 501778305 /nfs/dbraw/zinc/77/83/05/501778305.db2.gz GXHRQXWQGYKGDG-SFTDATJTSA-N 2 0 357.542 3.005 20 0 FGADRP C[C@H]1CCC[N@H+](CCNC(=O)N(C)[C@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000470736891 501787235 /nfs/dbraw/zinc/78/72/35/501787235.db2.gz KXUFGMLUJYGOQJ-FPOVZHCZSA-N 2 0 372.557 3.024 20 0 FGADRP CC1CC[NH+](CCNC(=O)N(C)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000470736900 501787291 /nfs/dbraw/zinc/78/72/91/501787291.db2.gz LBTFMGWOLOXBMB-OAQYLSRUSA-N 2 0 372.557 3.024 20 0 FGADRP Cn1ccnc1CC1CC[NH+](C[C@@H](O)Cc2ccc3ccccc3c2)CC1 ZINC000470775038 501798694 /nfs/dbraw/zinc/79/86/94/501798694.db2.gz VYZGRXFYPZNEJJ-QFIPXVFZSA-N 2 0 363.505 3.431 20 0 FGADRP O=C(C[N@H+]1CCC[C@H](c2ccc(F)cc2)CC1)NC1CC[NH+](C2CC2)CC1 ZINC000481542454 501809265 /nfs/dbraw/zinc/80/92/65/501809265.db2.gz LRUGWWZDZZJCCP-KRWDZBQOSA-N 2 0 373.516 3.138 20 0 FGADRP C[C@@H]([NH2+][C@H]1CC(=O)N(c2ccccc2)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000477855719 501811088 /nfs/dbraw/zinc/81/10/88/501811088.db2.gz ILOXKDNQNWYRDC-MJGOQNOKSA-N 2 0 367.493 3.083 20 0 FGADRP C[C@H]([NH2+]CC(C)(C)C[NH+]1CCCC1)[C@@H](c1ccccc1)N1CCOCC1 ZINC000477910795 501826723 /nfs/dbraw/zinc/82/67/23/501826723.db2.gz GFQKQLDZASCEEM-FPOVZHCZSA-N 2 0 359.558 3.160 20 0 FGADRP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000477983705 501845717 /nfs/dbraw/zinc/84/57/17/501845717.db2.gz AYCNWQDPVQKJFL-SFTDATJTSA-N 2 0 357.542 3.135 20 0 FGADRP C[C@@H]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C[N@@H+]1Cc1ccccc1 ZINC000467700773 501848011 /nfs/dbraw/zinc/84/80/11/501848011.db2.gz NRGREKKMLXDYJP-HMXCVIKNSA-N 2 0 369.553 3.420 20 0 FGADRP CC[C@@H](C)[NH2+][C@H](CNC(=O)NC1CC[NH+](C2CCC2)CC1)c1ccco1 ZINC000458775604 501870004 /nfs/dbraw/zinc/87/00/04/501870004.db2.gz RMWCYVPLQPHQNV-CRAIPNDOSA-N 2 0 362.518 3.025 20 0 FGADRP CCOC[C@@H]1CCC[C@H]1[NH2+]CCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000474602907 501890524 /nfs/dbraw/zinc/89/05/24/501890524.db2.gz UJOIIQBXXCQKGQ-RBBKRZOGSA-N 2 0 359.558 3.384 20 0 FGADRP C[NH+](C)CCN(C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1)C1CCCC1 ZINC000468021165 501932901 /nfs/dbraw/zinc/93/29/01/501932901.db2.gz IUAHKPSLXKVVSL-OAQYLSRUSA-N 2 0 372.557 3.167 20 0 FGADRP CC(C)C[C@H](CNC(=O)N1CCC[C@H]([NH+](C)C)C1)[NH2+][C@H](C)c1ccccc1 ZINC000468029094 501934352 /nfs/dbraw/zinc/93/43/52/501934352.db2.gz JTVQBWUAHHKCJN-NRSPTQNISA-N 2 0 374.573 3.488 20 0 FGADRP O=C(N[C@@H]1CC[N@H+](CC2CCCC2)C1)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000464351558 501964198 /nfs/dbraw/zinc/96/41/98/501964198.db2.gz LVRDIUVOCREOLN-FCHUYYIVSA-N 2 0 369.553 3.279 20 0 FGADRP COc1ccc(C)cc1[C@H](C)[NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000482113284 501978490 /nfs/dbraw/zinc/97/84/90/501978490.db2.gz IGTHNCCOBFZGAS-IBGZPJMESA-N 2 0 368.525 3.262 20 0 FGADRP COC(=O)C[C@@H]1CC[C@H]([NH2+][C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)[C@@H]1C ZINC000474939389 501998996 /nfs/dbraw/zinc/99/89/96/501998996.db2.gz AWDHVLSAVQYKFM-SYGLAOGMSA-N 2 0 358.526 3.464 20 0 FGADRP C[C@@H](C[N@H+](C)CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)c1ccccc1 ZINC000475033792 502028789 /nfs/dbraw/zinc/02/87/89/502028789.db2.gz SJABYYTVKBHVLN-RXVVDRJESA-N 2 0 353.510 3.141 20 0 FGADRP C[NH+](C)CCOCC[NH2+]Cc1ccc(-c2ccc(Br)cc2)o1 ZINC000471535326 502058122 /nfs/dbraw/zinc/05/81/22/502058122.db2.gz FGNUWPDZBXKPLG-UHFFFAOYSA-N 2 0 367.287 3.377 20 0 FGADRP C[C@@H](CNC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCCC[C@H]1C ZINC000475127661 502069436 /nfs/dbraw/zinc/06/94/36/502069436.db2.gz DEPSPCXMADLJOT-DYXWJJEUSA-N 2 0 372.557 3.165 20 0 FGADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000486192660 502078002 /nfs/dbraw/zinc/07/80/02/502078002.db2.gz LHRIVUYLPQMFOC-RTWAWAEBSA-N 2 0 355.526 3.371 20 0 FGADRP C[C@H](CCCCN1C(=O)c2ccccc2C1=O)[NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000471594217 502079444 /nfs/dbraw/zinc/07/94/44/502079444.db2.gz CBLRIDJMZPRBQL-KZNAEPCWSA-N 2 0 371.525 3.304 20 0 FGADRP C[C@@H]([NH2+][C@@H](C)CCN1CC[NH+](C)CC1)c1ccc(-c2ccncc2)cc1 ZINC000471604658 502083916 /nfs/dbraw/zinc/08/39/16/502083916.db2.gz YSXJLYWUNIMJQZ-RBUKOAKNSA-N 2 0 352.526 3.425 20 0 FGADRP CCCC[N@H+](C)CCNC(=O)N(CC)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000475176434 502091316 /nfs/dbraw/zinc/09/13/16/502091316.db2.gz MRQWAVUBMRAQHH-HXUWFJFHSA-N 2 0 360.546 3.024 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)NC[C@@H]1CC[N@H+](CC(C)C)C1)c1ccccc1 ZINC000464825198 502108207 /nfs/dbraw/zinc/10/82/07/502108207.db2.gz CFMWQLVOADXIJN-FPOVZHCZSA-N 2 0 374.573 3.347 20 0 FGADRP O=C(NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1)C12CCC[NH+]1CCC2 ZINC000461468260 502125405 /nfs/dbraw/zinc/12/54/05/502125405.db2.gz HOAQHWYQJBGDNA-HXUWFJFHSA-N 2 0 355.526 3.033 20 0 FGADRP CC(C)[NH+]1CCC(C(=O)Nc2cccc([C@@H](C)N3CCOCC3)c2)CC1 ZINC000468776449 502178950 /nfs/dbraw/zinc/17/89/50/502178950.db2.gz BLQRCBVLJHRGKI-QGZVFWFLSA-N 2 0 359.514 3.139 20 0 FGADRP [NH3+]C[C@H](C(=O)NCc1ccccc1C[NH+]1CCCCC1)c1ccc(F)cc1 ZINC000479185646 502186316 /nfs/dbraw/zinc/18/63/16/502186316.db2.gz KZOLIKWMIQUKFQ-NRFANRHFSA-N 2 0 369.484 3.170 20 0 FGADRP CCCC[N@H+](C)C[C@H](C)NC(=O)N1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000461799547 502205887 /nfs/dbraw/zinc/20/58/87/502205887.db2.gz QABUDIRPPLPJRE-ZCNNSNEGSA-N 2 0 366.594 3.403 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N[C@@H](C)C[NH+]1CCCCCC1)c1ccco1 ZINC000482900095 502211596 /nfs/dbraw/zinc/21/15/96/502211596.db2.gz BBYCYEOVDRVLCC-ZWKOTPCHSA-N 2 0 364.534 3.226 20 0 FGADRP C[C@@H]([NH2+]CCCCC[NH+]1CCCCC1)c1cccc(NS(C)(=O)=O)c1 ZINC000482947291 502224402 /nfs/dbraw/zinc/22/44/02/502224402.db2.gz MSJXAGPRMTTZPY-QGZVFWFLSA-N 2 0 367.559 3.365 20 0 FGADRP CC(C)[C@H](C(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2)[NH+](C)C ZINC000472192546 502264329 /nfs/dbraw/zinc/26/43/29/502264329.db2.gz OJTCCMIKNOWTRV-IFMALSPDSA-N 2 0 357.542 3.087 20 0 FGADRP CC[NH+]1CCC([NH2+]CC2(c3cc(Cl)ccc3OC)CCOCC2)CC1 ZINC000462044844 502285316 /nfs/dbraw/zinc/28/53/16/502285316.db2.gz HJBOBNBPUCKKAU-UHFFFAOYSA-N 2 0 366.933 3.471 20 0 FGADRP C[C@H](C[NH+]1CCCCC1)NC(=O)N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000465532771 502293147 /nfs/dbraw/zinc/29/31/47/502293147.db2.gz GYGLQQWNSGKHDT-UXHICEINSA-N 2 0 372.557 3.167 20 0 FGADRP CCC(CC)[C@@H](CNC(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C)[NH+]1CCCC1 ZINC000465584509 502315823 /nfs/dbraw/zinc/31/58/23/502315823.db2.gz DOAVLXARLCFVGA-VQTJNVASSA-N 2 0 366.594 3.403 20 0 FGADRP C[C@@H]1C[NH+](Cc2ccc(C[NH2+]C/C=C/c3ccncc3)cc2)C[C@@H](C)O1 ZINC000486965323 502317785 /nfs/dbraw/zinc/31/77/85/502317785.db2.gz IRMHQDJUEOSULE-DUFJLWIISA-N 2 0 351.494 3.494 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H](c1ccccc1)C(C)C ZINC000465620081 502327869 /nfs/dbraw/zinc/32/78/69/502327869.db2.gz UNBZDUHOTRFQHG-RTWAWAEBSA-N 2 0 374.573 3.441 20 0 FGADRP Cn1nnc2cc(C[N@@H+]3CCCC[C@H]3[C@@H](C[NH3+])Cc3ccccc3)ccc21 ZINC000472370010 502332655 /nfs/dbraw/zinc/33/26/55/502332655.db2.gz OXGNYOXJNWNDNB-CTNGQTDRSA-N 2 0 363.509 3.140 20 0 FGADRP Cc1nccn1CCCCNC(=O)N[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000465756191 502372414 /nfs/dbraw/zinc/37/24/14/502372414.db2.gz MOZODTOJJTYCKY-FXAWDEMLSA-N 2 0 369.513 3.106 20 0 FGADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)NC2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC000465766856 502377744 /nfs/dbraw/zinc/37/77/44/502377744.db2.gz YBPGPCLTFPHGSA-AHSZXGJYSA-N 2 0 370.541 3.136 20 0 FGADRP C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000479789585 502377848 /nfs/dbraw/zinc/37/78/48/502377848.db2.gz RZBJGXLVMQVWLB-GIVPXCGWSA-N 2 0 370.541 3.092 20 0 FGADRP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000469345086 502382255 /nfs/dbraw/zinc/38/22/55/502382255.db2.gz QSUMMIYKEGBINK-SBHAEUEKSA-N 2 0 357.542 3.420 20 0 FGADRP CC[NH+](CC)CCSCC(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000469520011 502449207 /nfs/dbraw/zinc/44/92/07/502449207.db2.gz BXRFTKIKCJRHCA-RTBURBONSA-N 2 0 369.619 3.174 20 0 FGADRP C(=C\c1ccncc1)\C[NH2+]CCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000487532817 502471543 /nfs/dbraw/zinc/47/15/43/502471543.db2.gz DBCPLOXLUIOTEQ-ARJAWSKDSA-N 2 0 351.494 3.402 20 0 FGADRP COc1cc(OC)cc(N2CCC[N@H+](CC[C@@H]3CCCC[NH+]3C)CC2)c1 ZINC000472933637 502475447 /nfs/dbraw/zinc/47/54/47/502475447.db2.gz KISHVJLLSFPTIU-SFHVURJKSA-N 2 0 361.530 3.090 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NCC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)C[C@H]1C ZINC000483753998 502483861 /nfs/dbraw/zinc/48/38/61/502483861.db2.gz ARCUQQFDBSTHQS-MKXGPGLRSA-N 2 0 366.594 3.257 20 0 FGADRP CCN(CCC[NH+]1CCCC1)C(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000472990668 502493141 /nfs/dbraw/zinc/49/31/41/502493141.db2.gz MPJAYWMGTNLUIY-OAQYLSRUSA-N 2 0 357.542 3.233 20 0 FGADRP C[C@H](CCNC(=O)N(C)CC[C@H]1CCCC[N@@H+]1C)[NH+](C)Cc1ccccc1 ZINC000473007256 502497492 /nfs/dbraw/zinc/49/74/92/502497492.db2.gz GIUQVJKCZCRUPG-TZIWHRDSSA-N 2 0 374.573 3.413 20 0 FGADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)NCC[C@@H](C)[NH+](C)Cc2ccccc2)C1 ZINC000473018815 502500874 /nfs/dbraw/zinc/50/08/74/502500874.db2.gz DPCJSDQRYOFLIB-CTNGQTDRSA-N 2 0 374.573 3.270 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H](NCCC[NH+]2CCc3ccccc3C2)[C@@H](C)C1 ZINC000480235202 502508988 /nfs/dbraw/zinc/50/89/88/502508988.db2.gz YDAXFPWPTPOECV-REWPJTCUSA-N 2 0 373.585 3.161 20 0 FGADRP CN(C(=O)NCC1([NH+]2CCCCC2)CCCCC1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000476546396 502520442 /nfs/dbraw/zinc/52/04/42/502520442.db2.gz VMONMODLMJWLJA-LJQANCHMSA-N 2 0 362.562 3.053 20 0 FGADRP C[C@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]CCOCC(F)(F)C(F)F ZINC000469765932 502537432 /nfs/dbraw/zinc/53/74/32/502537432.db2.gz AETTYZOHUDQRBX-HOCLYGCPSA-N 2 0 362.411 3.404 20 0 FGADRP CSC1(C[NH2+][C@@H](C)CC(=O)Nc2cccc(Cl)c2)CC[NH+](C)CC1 ZINC000582598980 506319424 /nfs/dbraw/zinc/31/94/24/506319424.db2.gz PSFPENGNOLSSTJ-AWEZNQCLSA-N 2 0 369.962 3.474 20 0 FGADRP Cc1cc(C(C)(C)C)ccc1OC[C@H](O)C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000480419356 502564582 /nfs/dbraw/zinc/56/45/82/502564582.db2.gz RSYKBMMTIZZEKS-TYPHKJRUSA-N 2 0 374.569 3.448 20 0 FGADRP FC(F)(F)COCCC[NH+]1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000480436686 502569148 /nfs/dbraw/zinc/56/91/48/502569148.db2.gz VRGSYCDCTAJSTK-UHFFFAOYSA-N 2 0 353.388 3.326 20 0 FGADRP CCOCCOc1ccc(Br)cc1CN1C[C@@H](C[NH3+])C[C@H]1C ZINC000469865546 502575096 /nfs/dbraw/zinc/57/50/96/502575096.db2.gz JUNSNDFXODAACM-ZIAGYGMSSA-N 2 0 371.319 3.034 20 0 FGADRP COc1ccc([C@@H](Cc2ccc(F)cc2)[NH2+]CC2(O)CC[NH+](C)CC2)cc1 ZINC000484135876 502579171 /nfs/dbraw/zinc/57/91/71/502579171.db2.gz CZKWPYQSSRVEMU-OAQYLSRUSA-N 2 0 372.484 3.164 20 0 FGADRP C[C@H]1C[C@H]([NH2+]CC2(O)CC[NH+](C)CC2)c2cccc(Br)c21 ZINC000484142235 502581456 /nfs/dbraw/zinc/58/14/56/502581456.db2.gz IDXDBCALFKHJKA-WFASDCNBSA-N 2 0 353.304 3.044 20 0 FGADRP COCC[N@H+](C[C@H](O)Cn1cnc2cc(C)c(C)cc21)[C@H]1CCC[C@@H]1C ZINC000487964526 502583005 /nfs/dbraw/zinc/58/30/05/502583005.db2.gz UGLMPNILJGZNNL-QSFXBCCZSA-N 2 0 359.514 3.151 20 0 FGADRP CN1CCC([NH+]2CCC(CC[N@H+](C)C[C@H]3CCC(C)(C)O3)CC2)CC1 ZINC000480576164 502608453 /nfs/dbraw/zinc/60/84/53/502608453.db2.gz GCDGINREFALLGC-HXUWFJFHSA-N 2 0 351.579 3.072 20 0 FGADRP C[NH+]1CCN(Cc2ccc(C[NH2+][C@H]3CCCc4c(O)cccc43)cc2)CC1 ZINC000462885393 502612872 /nfs/dbraw/zinc/61/28/72/502612872.db2.gz UPHJWAYLPMFFNA-QFIPXVFZSA-N 2 0 365.521 3.307 20 0 FGADRP CCCN(CC[NH+]1CCCCC1)C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000480593778 502613750 /nfs/dbraw/zinc/61/37/50/502613750.db2.gz FJAPPYRIJKVGQY-UHFFFAOYSA-N 2 0 360.546 3.156 20 0 FGADRP C[C@@H]([NH2+]CCC[NH+]1CCC(C)CC1)[C@@H](c1ccccc1)N1CCOCC1 ZINC000480606219 502618050 /nfs/dbraw/zinc/61/80/50/502618050.db2.gz CRYBZIBTDXFGTA-IRLDBZIGSA-N 2 0 359.558 3.160 20 0 FGADRP CC[NH+]1CCN([C@H](C)C[NH2+]Cc2ccc(-c3cccc(F)c3F)o2)CC1 ZINC000480632161 502628114 /nfs/dbraw/zinc/62/81/14/502628114.db2.gz BSTXVAIZSCNPKS-OAHLLOKOSA-N 2 0 363.452 3.340 20 0 FGADRP CC[NH+](CC)Cc1ccccc1CNC(=O)N1CC[C@H]([NH+]2CCCC2)[C@@H]1C ZINC000476962935 502634505 /nfs/dbraw/zinc/63/45/05/502634505.db2.gz PZOBSSKLZJGEDL-RXVVDRJESA-N 2 0 372.557 3.297 20 0 FGADRP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)Nc1ccc(OCC[N@H+]2CC[C@H](C)C2)cc1 ZINC000470117913 502666323 /nfs/dbraw/zinc/66/63/23/502666323.db2.gz RBVMGDMJNOWRQZ-OKZBNKHCSA-N 2 0 359.514 3.219 20 0 FGADRP C[C@H](NC(=O)NC[C@@H](C1CC1)[N@H+](C)Cc1ccccc1)C(C)(C)C[NH+](C)C ZINC000477183988 502702110 /nfs/dbraw/zinc/70/21/10/502702110.db2.gz BMUCCOITPPDLEI-PXNSSMCTSA-N 2 0 374.573 3.173 20 0 FGADRP CC(C)(C)[C@H]1C[C@@H]([NH2+]CCCN2CCN(c3cc[nH+]cc3)CC2)CS1 ZINC000488415903 502708443 /nfs/dbraw/zinc/70/84/43/502708443.db2.gz JLQLNSIXLBZPGR-IEBWSBKVSA-N 2 0 362.587 3.104 20 0 FGADRP CC(C)(C)NC(=O)C[NH+]1CCC(C[NH2+][C@@H]2CS[C@H](C(C)(C)C)C2)CC1 ZINC000488419538 502709362 /nfs/dbraw/zinc/70/93/62/502709362.db2.gz UYWBAOAKWLGJJX-IRXDYDNUSA-N 2 0 369.619 3.123 20 0 FGADRP CCc1cc(NC(=O)N(CC[NH+](C)C)C[C@@H]2CCC[N@H+]2CC)ccc1C ZINC000480944092 502710368 /nfs/dbraw/zinc/71/03/68/502710368.db2.gz YFRVJKPYJYONKZ-FQEVSTJZSA-N 2 0 360.546 3.437 20 0 FGADRP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCN(c3cccc(OC(F)(F)F)c3)C2)[C@H](C)C1 ZINC000470243764 502714111 /nfs/dbraw/zinc/71/41/11/502714111.db2.gz PJDPPGLAYVAELC-RKVPGOIHSA-N 2 0 371.447 3.484 20 0 FGADRP CC[N@H+](CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1)CC(C)(C)C ZINC000463362159 502770928 /nfs/dbraw/zinc/77/09/28/502770928.db2.gz QNOQOKQQJXMKLY-UHFFFAOYSA-N 2 0 359.558 3.444 20 0 FGADRP CCN(C(=O)N[C@@H]1CC[NH+](C)[C@H](C)C1)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000474042573 502787642 /nfs/dbraw/zinc/78/76/42/502787642.db2.gz YBCZEQNHICYGCZ-UKAVVXHISA-N 2 0 372.557 3.336 20 0 FGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H]2CC(C)(C)c3cc(OC)ccc32)CC1 ZINC000474068586 502796817 /nfs/dbraw/zinc/79/68/17/502796817.db2.gz VIXPTELENBGSFO-DYESRHJHSA-N 2 0 359.558 3.281 20 0 FGADRP CC[N@H+](Cc1ccccc1)[C@@H](C)C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000485044566 502808667 /nfs/dbraw/zinc/80/86/67/502808667.db2.gz VVKODCBJHZQRFY-SIKLNZKXSA-N 2 0 365.521 3.288 20 0 FGADRP C[C@H]1C[C@H]([NH2+]CCNC(=O)CC2CCCC2)CCN1Cc1ccccc1 ZINC000513040040 502836165 /nfs/dbraw/zinc/83/61/65/502836165.db2.gz DVBIMAGKALKTBM-GHTZIAJQSA-N 2 0 357.542 3.326 20 0 FGADRP C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000500769827 502859717 /nfs/dbraw/zinc/85/97/17/502859717.db2.gz SLJAOOHWJGQXOB-ROUUACIJSA-N 2 0 352.567 3.013 20 0 FGADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)N[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000500859613 502879629 /nfs/dbraw/zinc/87/96/29/502879629.db2.gz BCEJPPICCSLSHU-RTWAWAEBSA-N 2 0 372.557 3.215 20 0 FGADRP C[C@@H]1CCCC[C@@H]1N(C)C(=O)C[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501023696 502914197 /nfs/dbraw/zinc/91/41/97/502914197.db2.gz UNBIUPMITFQCBF-NQIIRXRSSA-N 2 0 372.557 3.267 20 0 FGADRP Cc1cccc(NC(=O)C[N@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000501020936 502914347 /nfs/dbraw/zinc/91/43/47/502914347.db2.gz MVHLYDWJJZRNSP-UHFFFAOYSA-N 2 0 352.482 3.177 20 0 FGADRP C[C@@H](C(=O)N1C[C@H](C)C[C@@H](C)C1)[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501025621 502915305 /nfs/dbraw/zinc/91/53/05/502915305.db2.gz ZKGGZFJGCSZWJR-QRVBRYPASA-N 2 0 372.557 3.123 20 0 FGADRP Cc1[nH+]ccc(N2CCN(c3ccccc3OCC[NH+](C)C)CC2)c1Cl ZINC000497212566 502926558 /nfs/dbraw/zinc/92/65/58/502926558.db2.gz CRIUNGMZNKIWKV-UHFFFAOYSA-N 2 0 374.916 3.310 20 0 FGADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)NC[C@@H]([NH2+][C@H](C)CC)c2ccco2)C1 ZINC000509569605 502936737 /nfs/dbraw/zinc/93/67/37/502936737.db2.gz NOKWTPRYXOMSFF-FGTMMUONSA-N 2 0 364.534 3.082 20 0 FGADRP CC[C@H](C)[NH2+][C@H](CNC(=O)N(C)CC[C@H]1CCCC[N@@H+]1C)c1ccco1 ZINC000509568551 502936800 /nfs/dbraw/zinc/93/68/00/502936800.db2.gz MBHYJCNFFOQUQN-RCCFBDPRSA-N 2 0 364.534 3.225 20 0 FGADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)NC[C@H]([NH2+][C@@H](C)CC)c2ccco2)C1 ZINC000509569604 502936911 /nfs/dbraw/zinc/93/69/11/502936911.db2.gz NOKWTPRYXOMSFF-BZSNNMDCSA-N 2 0 364.534 3.082 20 0 FGADRP CC[N@@H+]1CCC[C@@H](CN(C)c2nc3ccccc3n2C)[C@@H]1c1cnn(C)c1 ZINC000509624950 502951509 /nfs/dbraw/zinc/95/15/09/502951509.db2.gz KLSPXFJSKJFADN-OXJNMPFZSA-N 2 0 366.513 3.216 20 0 FGADRP C[C@H](C[NH+]1CCCCC1)NC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000489491888 502971437 /nfs/dbraw/zinc/97/14/37/502971437.db2.gz FOQNXONCUOSHIS-SFHLNBCPSA-N 2 0 372.557 3.071 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1csc2ccccc12 ZINC000505760635 502980545 /nfs/dbraw/zinc/98/05/45/502980545.db2.gz VIOMMDVTHXRVMP-MRXNPFEDSA-N 2 0 359.539 3.389 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CCc1cc2ccccc2o1 ZINC000505782305 502985026 /nfs/dbraw/zinc/98/50/26/502985026.db2.gz FHAJEGVSFADBFR-LJQANCHMSA-N 2 0 371.525 3.240 20 0 FGADRP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000497564836 502988900 /nfs/dbraw/zinc/98/89/00/502988900.db2.gz SPPVRPQLTQQWTD-HDICACEKSA-N 2 0 364.578 3.203 20 0 FGADRP CC[C@H](C)[N@H+](C)CCNC(=O)NCC[C@@H]1C[C@@H](C)[NH+](Cc2ccccc2)C1 ZINC000509805157 502989144 /nfs/dbraw/zinc/98/91/44/502989144.db2.gz NISHQWZWEJNGEW-QKNQBKEWSA-N 2 0 374.573 3.317 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CC(C)(C)c1ccccc1 ZINC000505819665 502992616 /nfs/dbraw/zinc/99/26/16/502992616.db2.gz SUZBDDFGKBXXKE-HXUWFJFHSA-N 2 0 359.558 3.229 20 0 FGADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C[C@@H]1C ZINC000489604386 502996263 /nfs/dbraw/zinc/99/62/63/502996263.db2.gz XTOPQCROMAPFNT-CEWLAPEOSA-N 2 0 372.557 3.071 20 0 FGADRP C[C@H](CNC(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000501499209 503021372 /nfs/dbraw/zinc/02/13/72/503021372.db2.gz DPWKICAZDWOESR-SFHLNBCPSA-N 2 0 372.557 3.243 20 0 FGADRP CC[NH+](CC)CC1CCN(C(=O)NC[C@@H](c2ccsc2)[NH+](C)C)CC1 ZINC000501496836 503021444 /nfs/dbraw/zinc/02/14/44/503021444.db2.gz VDIICBBAFOYONZ-SFHVURJKSA-N 2 0 366.575 3.114 20 0 FGADRP C[C@H]1CCC[N@H+](CCCCNC(=O)NC[C@H](c2ccsc2)[NH+](C)C)C1 ZINC000501504648 503023119 /nfs/dbraw/zinc/02/31/19/503023119.db2.gz RYPMLHLEPKZBOC-FUHWJXTLSA-N 2 0 366.575 3.162 20 0 FGADRP C[N@H+](CCCNC(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)C1CCCCC1 ZINC000501593058 503045656 /nfs/dbraw/zinc/04/56/56/503045656.db2.gz JVGGKWBSMFLJIV-HXUWFJFHSA-N 2 0 372.557 3.215 20 0 FGADRP C[C@@H](NC(=O)CN1CCCC[C@H]1CC[NH3+])c1ccc(Cl)cc1Cl ZINC000489904826 503061220 /nfs/dbraw/zinc/06/12/20/503061220.db2.gz CTVMWKZLMYCYOB-OCCSQVGLSA-N 2 0 358.313 3.374 20 0 FGADRP C[NH+](C)CCCC1CC[NH+]([C@H]2CCCN(c3ccccc3F)C2=O)CC1 ZINC000501785785 503079193 /nfs/dbraw/zinc/07/91/93/503079193.db2.gz NFIXMZJDIAZWGU-FQEVSTJZSA-N 2 0 361.505 3.375 20 0 FGADRP C[NH+](C)CCCC1CC[NH+]([C@@H]2CCCN(c3ccccc3F)C2=O)CC1 ZINC000501785786 503079472 /nfs/dbraw/zinc/07/94/72/503079472.db2.gz NFIXMZJDIAZWGU-HXUWFJFHSA-N 2 0 361.505 3.375 20 0 FGADRP CC(C)[NH+](CCN(C)C(=O)Nc1cccc(OCC[NH+](C)C)c1)C(C)C ZINC000506273410 503083126 /nfs/dbraw/zinc/08/31/26/503083126.db2.gz UTUKCRQPQKQHHH-UHFFFAOYSA-N 2 0 364.534 3.210 20 0 FGADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000501842186 503091338 /nfs/dbraw/zinc/09/13/38/503091338.db2.gz LTHNOPQKQHSNSE-IBGZPJMESA-N 2 0 372.557 3.346 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)N[C@@H](C)CC[NH+](C)C)c1ccccc1Cl ZINC000514148200 503099796 /nfs/dbraw/zinc/09/97/96/503099796.db2.gz CYEQZOHZGMAWPK-YJBOKZPZSA-N 2 0 368.953 3.362 20 0 FGADRP CCC[NH+]1CCC(CNC(=O)NC[C@H](c2ccc(CC)cc2)[NH+](C)C)CC1 ZINC000514202457 503111254 /nfs/dbraw/zinc/11/12/54/503111254.db2.gz YDFOYJRBDKYKON-OAQYLSRUSA-N 2 0 374.573 3.273 20 0 FGADRP CC[C@@H]([NH2+]CCCN1CC[NH+](Cc2ccccc2)CC1)c1ccc(F)cn1 ZINC000490116409 503111940 /nfs/dbraw/zinc/11/19/40/503111940.db2.gz ANXAPNQDNZFIIC-OAQYLSRUSA-N 2 0 370.516 3.469 20 0 FGADRP CC[NH+]1CCN(Cc2ccccc2C[NH2+]C2CC(OC(C)(C)C)C2)CC1 ZINC000490129820 503114088 /nfs/dbraw/zinc/11/40/88/503114088.db2.gz HLQPYHWTIPIKGT-UHFFFAOYSA-N 2 0 359.558 3.260 20 0 FGADRP Cc1ccnc(N2CCN(Cc3cnc(-c4ccncc4)s3)CC2)c1 ZINC000510468529 503121449 /nfs/dbraw/zinc/12/14/49/503121449.db2.gz DPVJPSDGVYZFBW-UHFFFAOYSA-N 2 0 351.479 3.231 20 0 FGADRP CCC[NH+]1CCN(c2ccccc2CN2CCC[C@H]([NH+]3CCCC3)C2)CC1 ZINC000510468483 503121539 /nfs/dbraw/zinc/12/15/39/503121539.db2.gz CRXBEJBMUGBXKT-QFIPXVFZSA-N 2 0 370.585 3.279 20 0 FGADRP C[C@H](NC(=O)NCC[N@H+](C)C1CCCCC1)[C@@H](c1ccccc1)[NH+](C)C ZINC000490172698 503121899 /nfs/dbraw/zinc/12/18/99/503121899.db2.gz QCCZVTSGDRTULG-PXNSSMCTSA-N 2 0 360.546 3.242 20 0 FGADRP Cc1ccc2nc(CN3CCC[C@H](C[N@H+]4CCCC[C@H]4C)C3)cc(=O)n2c1 ZINC000506475286 503122758 /nfs/dbraw/zinc/12/27/58/503122758.db2.gz UYWPQURVGDSYNQ-MOPGFXCFSA-N 2 0 368.525 3.089 20 0 FGADRP C[C@@]1(C(=O)N2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)CCCC[NH2+]1 ZINC000510479663 503123356 /nfs/dbraw/zinc/12/33/56/503123356.db2.gz JNMNDFKYEZTFQP-VXKWHMMOSA-N 2 0 355.526 3.033 20 0 FGADRP CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000502030966 503129795 /nfs/dbraw/zinc/12/97/95/503129795.db2.gz IGUNVUUIYOVTDW-HKBOAZHASA-N 2 0 357.542 3.442 20 0 FGADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000514588168 503142859 /nfs/dbraw/zinc/14/28/59/503142859.db2.gz VDEYXHHAXNAGOL-FLOBVVSRSA-N 2 0 364.415 3.497 20 0 FGADRP C[NH+]1CCN(c2ccc(N[C@H]3CCC[C@@H](c4cccnc4)C3)nc2)CC1 ZINC000502247883 503169285 /nfs/dbraw/zinc/16/92/85/503169285.db2.gz JYZKXITZDPADCI-MJGOQNOKSA-N 2 0 351.498 3.367 20 0 FGADRP CC[NH+]1CCN(Cc2ccc(C[NH2+][C@@H]3CCCC34CCOCC4)cc2)CC1 ZINC000502276067 503173361 /nfs/dbraw/zinc/17/33/61/503173361.db2.gz QMNPDVXLGQXKMW-JOCHJYFZSA-N 2 0 371.569 3.263 20 0 FGADRP COc1cc(C[NH+]2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)cc(Cl)c1OC ZINC000514719500 503177157 /nfs/dbraw/zinc/17/71/57/503177157.db2.gz DUOKIUWHXWZIPM-AEFFLSMTSA-N 2 0 368.905 3.076 20 0 FGADRP Cc1nccn1CCCC[NH2+]C[C@H](O)CO[C@@H]1CCCc2ccccc21 ZINC000514933084 503230744 /nfs/dbraw/zinc/23/07/44/503230744.db2.gz NOBXCCPFKUGFFA-PZJWPPBQSA-N 2 0 357.498 3.016 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)NCC[N@H+](C)C1CC1)c1ccccc1Cl ZINC000490898227 503243415 /nfs/dbraw/zinc/24/34/15/503243415.db2.gz QOUROCADAQQRPG-SFHVURJKSA-N 2 0 366.937 3.116 20 0 FGADRP Cc1cc([C@H](C)NCc2ccccc2OCCN2CCOCC2)oc1C ZINC000502723141 503258409 /nfs/dbraw/zinc/25/84/09/503258409.db2.gz BKRDAZCUTHFUHE-KRWDZBQOSA-N 2 0 358.482 3.458 20 0 FGADRP Cc1cccc(NC(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)c1C ZINC000498830106 503271427 /nfs/dbraw/zinc/27/14/27/503271427.db2.gz FWHCSRCZCWDLTK-UHFFFAOYSA-N 2 0 367.497 3.032 20 0 FGADRP C[C@@H](NC(=O)N1CC[N@@H+]([C@@H]2C[C@H]2C)C[C@H](C)C1)[C@H](c1ccccc1)[NH+](C)C ZINC000491109625 503274278 /nfs/dbraw/zinc/27/42/78/503274278.db2.gz TXVUUBVFNOYSIU-QOLKULSZSA-N 2 0 372.557 3.050 20 0 FGADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000502832396 503283715 /nfs/dbraw/zinc/28/37/15/503283715.db2.gz RMYIBOUFSLBIIV-SOAGJPPSSA-N 2 0 364.578 3.203 20 0 FGADRP CC(C)[NH+](CCNC(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1)C(C)C ZINC000502846190 503287050 /nfs/dbraw/zinc/28/70/50/503287050.db2.gz NVGLPSGRZSWFKI-KDURUIRLSA-N 2 0 354.583 3.163 20 0 FGADRP C[C@@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000507402775 503294369 /nfs/dbraw/zinc/29/43/69/503294369.db2.gz MUMDVGXLBQTCCB-INIZCTEOSA-N 2 0 365.949 3.399 20 0 FGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCc2cc(F)c(F)c(F)c2)[C@@H](C)C1 ZINC000507443269 503300179 /nfs/dbraw/zinc/30/01/79/503300179.db2.gz QPNTZFFLEZUTDI-KBXCAEBGSA-N 2 0 358.448 3.373 20 0 FGADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000502916181 503307481 /nfs/dbraw/zinc/30/74/81/503307481.db2.gz DPIJKMFAUMMVJZ-ROUUACIJSA-N 2 0 360.546 3.289 20 0 FGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+][C@@H](C)[C@H]2CCCOC2)CC1 ZINC000507498170 503309313 /nfs/dbraw/zinc/30/93/13/503309313.db2.gz USSFBRYANMXMEF-BZSNNMDCSA-N 2 0 363.521 3.433 20 0 FGADRP COc1cc(C[N@@H+]2CC[C@H](Nc3cc[nH+]c(C)c3Cl)C2)cc(OC)c1 ZINC000499153356 503345029 /nfs/dbraw/zinc/34/50/29/503345029.db2.gz AAPHCBYBFYISHU-HNNXBMFYSA-N 2 0 361.873 3.169 20 0 FGADRP CC[C@@H](c1cccc(OC)c1)[N@H+](C)CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000515475894 503346850 /nfs/dbraw/zinc/34/68/50/503346850.db2.gz GOMRBLDUQBQVSU-FQEVSTJZSA-N 2 0 361.530 3.067 20 0 FGADRP Fc1cccnc1OCC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000499187135 503351641 /nfs/dbraw/zinc/35/16/41/503351641.db2.gz IEPZTKSEJPEHDU-LDLYASANSA-N 2 0 355.457 3.385 20 0 FGADRP CC(C)[NH+]1CCN(c2cccc(NC(=O)[C@H](C)[N@H+]3[C@H](C)CC[C@@H]3C)c2)CC1 ZINC000508068126 503423099 /nfs/dbraw/zinc/42/30/99/503423099.db2.gz LUFQLJFZNQGIQM-OTWHNJEPSA-N 2 0 372.557 3.417 20 0 FGADRP OC[C@@H]1CCN(Cc2ccccc2)C[C@H]1[NH2+]C/C=C\c1ccc(F)c(F)c1 ZINC000512054400 503444968 /nfs/dbraw/zinc/44/49/68/503444968.db2.gz UNCABXWCMQRWSS-GIWCBKPCSA-N 2 0 372.459 3.451 20 0 FGADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000499660427 503451751 /nfs/dbraw/zinc/45/17/51/503451751.db2.gz PXEFGNRDHUPMDJ-OAQYLSRUSA-N 2 0 357.542 3.279 20 0 FGADRP C[C@H]([NH3+])[C@H](C)C(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000493892022 503454028 /nfs/dbraw/zinc/45/40/28/503454028.db2.gz RQDSPVWJQSWBHV-YOKBYHGQSA-N 2 0 371.447 3.188 20 0 FGADRP Cc1ccccc1[C@H]([C@@H](C)NC(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1)[NH+](C)C ZINC000493924143 503459745 /nfs/dbraw/zinc/45/97/45/503459745.db2.gz BFEXLBNCVSPKIJ-SBHAEUEKSA-N 2 0 374.573 3.406 20 0 FGADRP CCc1ccc(C[NH2+]CCCN2CC[N@H+](C)C[C@H]2c2ccccc2)cn1 ZINC000512122307 503462555 /nfs/dbraw/zinc/46/25/55/503462555.db2.gz KXEIKXQNGFGFDS-QFIPXVFZSA-N 2 0 352.526 3.112 20 0 FGADRP C[C@H]1[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)CC[N@@H+]1Cc1ccccc1 ZINC000494000582 503472568 /nfs/dbraw/zinc/47/25/68/503472568.db2.gz SLVDMWWCAAFOOY-LAUBAEHRSA-N 2 0 351.494 3.141 20 0 FGADRP C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000516328656 503495064 /nfs/dbraw/zinc/49/50/64/503495064.db2.gz AXFHDHJBLCNJQH-NRSPTQNISA-N 2 0 370.541 3.092 20 0 FGADRP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)[C@H]1CCC[NH+]1C1CC1 ZINC000494247893 503512319 /nfs/dbraw/zinc/51/23/19/503512319.db2.gz NGFZWAUARMPACK-LAUBAEHRSA-N 2 0 355.526 3.304 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)[C@H]2CCC[NH+]2C2CC2)C1 ZINC000494458448 503545042 /nfs/dbraw/zinc/54/50/42/503545042.db2.gz SASKSWXRAFIHSN-KGVIQGDOSA-N 2 0 369.553 3.408 20 0 FGADRP CC(C)[NH+]1CCN(CCC[NH+]2CCC(Cc3ccccc3F)CC2)CC1 ZINC000500091916 503551149 /nfs/dbraw/zinc/55/11/49/503551149.db2.gz NQKCAXZWEHQJDK-UHFFFAOYSA-N 2 0 361.549 3.496 20 0 FGADRP Cc1ccccc1[C@H]([C@@H](C)NC(=O)NC1CCC(C[NH+](C)C)CC1)[NH+](C)C ZINC000500130641 503561379 /nfs/dbraw/zinc/56/13/79/503561379.db2.gz KSEYJUOXYLWTNU-HZGZPEGRSA-N 2 0 374.573 3.406 20 0 FGADRP C[C@@H](NC(=O)N1CCC[N@@H+](C2CCCC2)CC1)[C@H](c1ccccc1)[NH+](C)C ZINC000508872396 503584226 /nfs/dbraw/zinc/58/42/26/503584226.db2.gz RQQGDYGBVRVAKA-WIYYLYMNSA-N 2 0 372.557 3.338 20 0 FGADRP COCc1ccccc1/C=C(\C)C[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000508875640 503585276 /nfs/dbraw/zinc/58/52/76/503585276.db2.gz BMJVTKWLJNSNJO-WOCKIDEVSA-N 2 0 371.569 3.194 20 0 FGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+][C@H]2CN(C3CC3)C[C@@H]2C)CC1 ZINC000494668145 503588879 /nfs/dbraw/zinc/58/88/79/503588879.db2.gz WBCLBFWPNQRJDG-FIKGOQFSSA-N 2 0 374.548 3.101 20 0 FGADRP CC(C)(C)NC(=O)CC[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000512610835 503594574 /nfs/dbraw/zinc/59/45/74/503594574.db2.gz FJIKJRSQZXWOTG-VAMGGRTRSA-N 2 0 357.542 3.182 20 0 FGADRP COc1ccc(C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)cn1 ZINC000512646816 503602597 /nfs/dbraw/zinc/60/25/97/503602597.db2.gz DIYVRGYLVQLGEB-PCCBWWKXSA-N 2 0 351.494 3.481 20 0 FGADRP C[C@H](NC(=O)C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1)c1ccc2c(c1)CCCC2 ZINC000516927834 503621914 /nfs/dbraw/zinc/62/19/14/503621914.db2.gz HSNJMWSQDPSYMJ-HSQYWUDLSA-N 2 0 369.553 3.064 20 0 FGADRP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2C[NH2+][C@@H]2CCC(=O)NC2(C)C)C1 ZINC000494891644 503631530 /nfs/dbraw/zinc/63/15/30/503631530.db2.gz IMZSVMGGROOMTI-MBOZVWFJSA-N 2 0 357.542 3.311 20 0 FGADRP CCCN(CC[NH+]1CCCCC1)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000500567656 503647980 /nfs/dbraw/zinc/64/79/80/503647980.db2.gz YSEPSVLKNNGOII-NHCUHLMSSA-N 2 0 372.557 3.339 20 0 FGADRP Fc1cccc(CC[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)c1F ZINC000543186934 503666894 /nfs/dbraw/zinc/66/68/94/503666894.db2.gz XFLCXYAADYXFGN-UHFFFAOYSA-N 2 0 352.469 3.332 20 0 FGADRP CC(C)C[N@@H+]1CCCC[C@@H]1CN[C@H]1CC[NH+](Cc2ccccn2)C[C@H]1C ZINC000540146760 503688077 /nfs/dbraw/zinc/68/80/77/503688077.db2.gz KZFURICYIWOBRP-FCEUIQTBSA-N 2 0 358.574 3.392 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCc2nc3c(s2)CCCC3)[C@@H](C)C1 ZINC000540154351 503691482 /nfs/dbraw/zinc/69/14/82/503691482.db2.gz RDPLHFSFNXVMQL-IRXDYDNUSA-N 2 0 365.587 3.291 20 0 FGADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+](Cc1ccccc1)[C@H](CO)C1CC1 ZINC000546266641 503691802 /nfs/dbraw/zinc/69/18/02/503691802.db2.gz HZNRAVQQYHMVQT-JOCHJYFZSA-N 2 0 362.477 3.349 20 0 FGADRP CC(C)[C@H]([NH2+]C[C@@H](c1cccs1)N1CCN(C)CC1)c1cccnc1 ZINC000540260725 503726833 /nfs/dbraw/zinc/72/68/33/503726833.db2.gz KASZBQVPVNKNPO-ICSRJNTNSA-N 2 0 358.555 3.419 20 0 FGADRP CC(C)[C@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)c1ccc2[nH]c(=O)oc2c1 ZINC000540300966 503732434 /nfs/dbraw/zinc/73/24/34/503732434.db2.gz FQZFGCPNBNQXAM-FQEVSTJZSA-N 2 0 374.529 3.094 20 0 FGADRP C[C@@H]1CC[C@H]([NH2+]Cc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)[C@@H](C)C1 ZINC000543405471 503757803 /nfs/dbraw/zinc/75/78/03/503757803.db2.gz XINKYULUWROKSN-OVQGTLEDSA-N 2 0 357.542 3.298 20 0 FGADRP C[C@@H](C(=O)Nc1ccc(Br)cc1)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000533242778 503772981 /nfs/dbraw/zinc/77/29/81/503772981.db2.gz PXDCDGQQTZFYRU-ZDUSSCGKSA-N 2 0 368.319 3.050 20 0 FGADRP CCn1ccnc1C[NH2+]CCc1ccc(OCC[N@@H+]2C[C@H](C)[C@H](C)C2)cc1 ZINC000537021664 503778213 /nfs/dbraw/zinc/77/82/13/503778213.db2.gz HOVFPWGFHNBTMB-KDURUIRLSA-N 2 0 370.541 3.202 20 0 FGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H]2CCCOc3cc(Cl)ccc32)CC1 ZINC000537116156 503807025 /nfs/dbraw/zinc/80/70/25/503807025.db2.gz LVDVOIWFQWTLDO-VQIMIIECSA-N 2 0 365.949 3.417 20 0 FGADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCc2cn3ccc(C)cc3n2)C1 ZINC000517703983 503811686 /nfs/dbraw/zinc/81/16/86/503811686.db2.gz WYTGLMAANJQUNX-QGZVFWFLSA-N 2 0 371.529 3.343 20 0 FGADRP Fc1cc(C[NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)ccc1-n1cncn1 ZINC000527530500 503826476 /nfs/dbraw/zinc/82/64/76/503826476.db2.gz FGAOPFDPOTUDPX-IBGZPJMESA-N 2 0 365.456 3.018 20 0 FGADRP C[C@H](c1ccc(-c2ccc([C@H](C)[NH3+])c(F)c2)cc1)[NH+]1CCN(CCO)CC1 ZINC000527589513 503845243 /nfs/dbraw/zinc/84/52/43/503845243.db2.gz SVZRBZJERVQJRR-DLBZAZTESA-N 2 0 371.500 3.183 20 0 FGADRP C[C@H]1CC([NH2+]Cc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)C[C@H](C)C1 ZINC000533497837 503865255 /nfs/dbraw/zinc/86/52/55/503865255.db2.gz CEESVSASCRSRFO-MBOZVWFJSA-N 2 0 357.542 3.298 20 0 FGADRP [NH3+]C[C@@H](Cc1ccccc1)[C@H]1CCCC[N@@H+]1Cc1cc(CO)ccc1F ZINC000530217862 503880956 /nfs/dbraw/zinc/88/09/56/503880956.db2.gz IOTHOGUHAKHVOE-DENIHFKCSA-N 2 0 356.485 3.490 20 0 FGADRP COC(=O)c1ccc(C[NH+]2CCC(C[N@H+](C)Cc3ccccc3)CC2)[nH]1 ZINC000543783310 503890761 /nfs/dbraw/zinc/89/07/61/503890761.db2.gz YWGSAMUGLGDQID-UHFFFAOYSA-N 2 0 355.482 3.145 20 0 FGADRP FC(F)(F)c1ccc(OCC[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)cc1 ZINC000530243750 503892339 /nfs/dbraw/zinc/89/23/39/503892339.db2.gz YBDXPHNZYKFJHL-SFHVURJKSA-N 2 0 372.431 3.175 20 0 FGADRP FC(F)(F)Oc1ccccc1C[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530249645 503893857 /nfs/dbraw/zinc/89/38/57/503893857.db2.gz XDTVASMHQMDQFV-MRXNPFEDSA-N 2 0 358.404 3.176 20 0 FGADRP CCOc1ccc(C[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)cc1OCC ZINC000530249731 503894520 /nfs/dbraw/zinc/89/45/20/503894520.db2.gz YFEQOQGDGYIWFZ-LJQANCHMSA-N 2 0 362.514 3.075 20 0 FGADRP CC[NH+](CC)CCCC1CCN(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000543937376 503944588 /nfs/dbraw/zinc/94/45/88/503944588.db2.gz ADPWAMLZGYDFOH-UHFFFAOYSA-N 2 0 352.567 3.016 20 0 FGADRP C[C@@H]([NH2+]CCc1ccc2c(c1)OCO2)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000540962451 503955460 /nfs/dbraw/zinc/95/54/60/503955460.db2.gz XYNLXLSSMVGQLY-YLJYHZDGSA-N 2 0 352.478 3.458 20 0 FGADRP C[C@@H]1C[C@H]([NH2+]CC(C)(C)C(=O)N2CCCC2)CCN1Cc1ccccc1 ZINC000527810707 503955696 /nfs/dbraw/zinc/95/56/96/503955696.db2.gz HLSKWDCUBNICTJ-UYAOXDASSA-N 2 0 357.542 3.278 20 0 FGADRP C/C(=C\c1ccccc1OC(F)F)C[NH2+]CCCC[NH+]1CCN(C)CC1 ZINC000518445598 503987542 /nfs/dbraw/zinc/98/75/42/503987542.db2.gz RRESQQCFQNATIE-BMRADRMJSA-N 2 0 367.484 3.309 20 0 FGADRP C[C@H]([NH2+]C[C@H]1CCN1C1CCCCC1)c1ccc(N2CCNC2=O)cc1 ZINC000527947191 504010532 /nfs/dbraw/zinc/01/05/32/504010532.db2.gz KDZFNZRKTTVKEH-OXJNMPFZSA-N 2 0 356.514 3.274 20 0 FGADRP C[C@@H]1C[N@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)[C@H]2CCCC[C@@H]12 ZINC000541112256 504011587 /nfs/dbraw/zinc/01/15/87/504011587.db2.gz XXQGPLSPYZDHIP-COPCDDAFSA-N 2 0 369.553 3.409 20 0 FGADRP C[NH+](C)[C@H](CNC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1)C1CCCCC1 ZINC000518628582 504031475 /nfs/dbraw/zinc/03/14/75/504031475.db2.gz DAWAWOVPRFQWQW-WOJBJXKFSA-N 2 0 364.578 3.157 20 0 FGADRP C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+]CCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000518757729 504055456 /nfs/dbraw/zinc/05/54/56/504055456.db2.gz JPXBQVCOUPANFH-WBMJQRKESA-N 2 0 355.404 3.106 20 0 FGADRP Cc1c[nH+]ccc1N1CCC(C(=O)NCCCC[N@H+]2CCCC[C@H]2C)CC1 ZINC000530727587 504065730 /nfs/dbraw/zinc/06/57/30/504065730.db2.gz QJXCRSSLCZXZDD-LJQANCHMSA-N 2 0 372.557 3.377 20 0 FGADRP C[C@H](CCNC(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)[NH+]1CCCCC1 ZINC000544289591 504075292 /nfs/dbraw/zinc/07/52/92/504075292.db2.gz SIUFGXAARWIIKF-CTNGQTDRSA-N 2 0 372.557 3.215 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)NCC[C@@H](C)[NH+]1CCCCC1)c1ccco1 ZINC000544321495 504087234 /nfs/dbraw/zinc/08/72/34/504087234.db2.gz CVSROOINBPUTFP-QZTJIDSGSA-N 2 0 364.534 3.226 20 0 FGADRP Cc1ccc(C[C@H]([NH2+]Cc2ccnc(OCC[NH+](C)C)c2)C2CC2)cc1 ZINC000537944773 504092051 /nfs/dbraw/zinc/09/20/51/504092051.db2.gz NKXAOUDORWFQQF-NRFANRHFSA-N 2 0 353.510 3.441 20 0 FGADRP CC(C)C[C@@H](C)[NH2+][C@H](C)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000537949245 504093173 /nfs/dbraw/zinc/09/31/73/504093173.db2.gz XSRYYXLVHPAEJB-IAGOWNOFSA-N 2 0 369.575 3.002 20 0 FGADRP O=C(NC[C@@H]1CC[N@@H+]1C1CCCCC1)N1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000528151412 504093562 /nfs/dbraw/zinc/09/35/62/504093562.db2.gz ZGOJASSHBBCQKP-DZFGPLHGSA-N 2 0 374.573 3.052 20 0 FGADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H](CO)Cc2ccc(C(F)(F)F)cc2)[C@H](C)C1 ZINC000537963107 504097646 /nfs/dbraw/zinc/09/76/46/504097646.db2.gz ZATUDMDDWNQHHQ-HFTRVMKXSA-N 2 0 358.448 3.176 20 0 FGADRP Cc1cc([C@H]([NH2+]C[C@H](C)CN2CC[NH+](C)CC2)c2cccnc2)ccc1F ZINC000544357345 504101342 /nfs/dbraw/zinc/10/13/42/504101342.db2.gz KQSPFNHFSSCFPT-JTSKRJEESA-N 2 0 370.516 3.092 20 0 FGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC(CC[NH+](CC)CC(C)C)CC1 ZINC000538034231 504120110 /nfs/dbraw/zinc/12/01/10/504120110.db2.gz BWKIHLZTRQSRTB-FQEVSTJZSA-N 2 0 351.579 3.467 20 0 FGADRP C[C@H](CCNC(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1)[NH+]1CCCCC1 ZINC000541448711 504132865 /nfs/dbraw/zinc/13/28/65/504132865.db2.gz UBRMSOJYSPUZME-TZIWHRDSSA-N 2 0 372.557 3.387 20 0 FGADRP CO[C@]1(C)CCC[NH+](Cc2cncc(C[N@H+]3CCC[C@@](C)(OC)C3)c2)C1 ZINC000519078863 504134641 /nfs/dbraw/zinc/13/46/41/504134641.db2.gz RHSSETFADXMQDA-NHCUHLMSSA-N 2 0 361.530 3.083 20 0 FGADRP CC(C)[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)c1ccc2[nH]c(=O)oc2c1 ZINC000538115010 504135051 /nfs/dbraw/zinc/13/50/51/504135051.db2.gz WYYQNFPMUDAWHW-GGPKGHCWSA-N 2 0 373.497 3.198 20 0 FGADRP Cc1nc2ccccc2n1C[C@H]1CCC[N@H+]1CCC(=O)N1CCC[C@H]1C ZINC000534471975 504150352 /nfs/dbraw/zinc/15/03/52/504150352.db2.gz GIWPLEBISWDHBX-SJLPKXTDSA-N 2 0 354.498 3.210 20 0 FGADRP CCN(Cc1ccccc1)C(=O)[C@H](C)[NH+]1CCC(C[NH+](CC)CC)CC1 ZINC000519222996 504169314 /nfs/dbraw/zinc/16/93/14/504169314.db2.gz KQJXWSXDBUKHCN-IBGZPJMESA-N 2 0 359.558 3.477 20 0 FGADRP OC[C@H]1CCC[N@@H+]1CCCC[NH2+][C@@H](c1ccc(F)cc1)c1cccnc1 ZINC000541542756 504170992 /nfs/dbraw/zinc/17/09/92/504170992.db2.gz DEVMTXRDFFUSPR-RTWAWAEBSA-N 2 0 357.473 3.137 20 0 FGADRP C[C@H](C(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000531079971 504182176 /nfs/dbraw/zinc/18/21/76/504182176.db2.gz BNHDXLIFQREOPC-BASYENTBSA-N 2 0 351.922 3.320 20 0 FGADRP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)NCCCC[N@@H+]1CCCC[C@@H]1C ZINC000544622280 504195242 /nfs/dbraw/zinc/19/52/42/504195242.db2.gz WJUPOWAGKKIZRM-ZWKOTPCHSA-N 2 0 352.567 3.013 20 0 FGADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000531136044 504200255 /nfs/dbraw/zinc/20/02/55/504200255.db2.gz CCFCRFLPOLGOBA-FQEVSTJZSA-N 2 0 366.509 3.302 20 0 FGADRP C[C@@H](c1cc(F)ccc1F)[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000541662495 504213976 /nfs/dbraw/zinc/21/39/76/504213976.db2.gz QWMXRUTVTKKGLH-INIZCTEOSA-N 2 0 351.485 3.375 20 0 FGADRP C[C@@H]1C[NH+](CCCC[NH2+]Cc2cc(O)cc(C(F)(F)F)c2)C[C@@H](C)O1 ZINC000519415049 504215615 /nfs/dbraw/zinc/21/56/15/504215615.db2.gz BMGAPYLHUICTPW-ZIAGYGMSSA-N 2 0 360.420 3.390 20 0 FGADRP O=C1[C@@H](N2CCC(c3c[nH]cn3)CC2)CCN1c1ccc(Cl)cc1F ZINC000528428181 504220059 /nfs/dbraw/zinc/22/00/59/504220059.db2.gz YWGYAWVOCBPEQF-KRWDZBQOSA-N 2 0 362.836 3.187 20 0 FGADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H](O)CO[C@H]2CCCc3ccccc32)C[C@@H]1C ZINC000531381924 504286851 /nfs/dbraw/zinc/28/68/51/504286851.db2.gz FPNFHVJDHDKZKQ-UTYWTXRGSA-N 2 0 360.542 3.246 20 0 FGADRP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N(C)CCC[NH+]2CCCC2)C1 ZINC000541977537 504320548 /nfs/dbraw/zinc/32/05/48/504320548.db2.gz SFEZONWQAFILKX-SFHVURJKSA-N 2 0 352.567 3.014 20 0 FGADRP CC1(N2CCOCC2)CC[NH+](Cc2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC000528731619 504353166 /nfs/dbraw/zinc/35/31/66/504353166.db2.gz ZJJNFGRNUDXNOC-UHFFFAOYSA-N 2 0 371.569 3.359 20 0 FGADRP Cn1ccnc1CN1CCC[C@@H](Nc2ccnc3cc(Cl)ccc32)C1=O ZINC000542120103 504370653 /nfs/dbraw/zinc/37/06/53/504370653.db2.gz VRWMVZXKGWNUES-MRXNPFEDSA-N 2 0 369.856 3.225 20 0 FGADRP Cn1ccnc1CN1CCC[C@H](Nc2ccnc3cc(Cl)ccc32)C1=O ZINC000542120101 504370742 /nfs/dbraw/zinc/37/07/42/504370742.db2.gz VRWMVZXKGWNUES-INIZCTEOSA-N 2 0 369.856 3.225 20 0 FGADRP C[NH+]1CCN(C[C@H]([NH2+][C@@H]2CCC[C@H]([C@@H]3CCOC3)C2)c2ccccc2)CC1 ZINC000545274750 504426085 /nfs/dbraw/zinc/42/60/85/504426085.db2.gz MFDRWLMVRWKOTC-AFXVXQJMSA-N 2 0 371.569 3.160 20 0 FGADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)NCC2(C[NH+](C)C)CCCC2)C1 ZINC000545346833 504454292 /nfs/dbraw/zinc/45/42/92/504454292.db2.gz OAMTZJKNNLJVLR-UYAOXDASSA-N 2 0 372.557 3.243 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H](NC[C@H]2CCC[NH+](CC(C)C)C2)[C@H](C)C1 ZINC000539046015 504456289 /nfs/dbraw/zinc/45/62/89/504456289.db2.gz GBUOFRLCRJIRDS-NJYVYQBISA-N 2 0 353.595 3.081 20 0 FGADRP O=C(Nc1cnccc1-n1cccn1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000520315624 504463755 /nfs/dbraw/zinc/46/37/55/504463755.db2.gz BVTYBUCRCKCDDR-SFHVURJKSA-N 2 0 361.449 3.118 20 0 FGADRP C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)c3c[nH+]ccc3N(C)C)cc2)C1 ZINC000545377820 504465835 /nfs/dbraw/zinc/46/58/35/504465835.db2.gz JNHVVHCKLBEFPO-QGZVFWFLSA-N 2 0 366.509 3.310 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCn2c(C)nc3ccccc32)[C@@H](C)C1 ZINC000531944281 504482605 /nfs/dbraw/zinc/48/26/05/504482605.db2.gz WBGRLVZPKLEXFG-HKUYNNGSSA-N 2 0 358.530 3.071 20 0 FGADRP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC[C@@H]2CCCC[NH+]2CC)C1 ZINC000520379711 504483596 /nfs/dbraw/zinc/48/35/96/504483596.db2.gz LJODTQOCJVYMDW-ROUUACIJSA-N 2 0 352.567 3.061 20 0 FGADRP CC(C)[NH+]1CCC([NH2+]C[C@@H](CO)Cc2ccccc2OC(F)(F)F)CC1 ZINC000531988098 504495802 /nfs/dbraw/zinc/49/58/02/504495802.db2.gz VEKQFFOLUHAOCD-HNNXBMFYSA-N 2 0 374.447 3.199 20 0 FGADRP O=C1CC[C@@H]([NH2+]C2CCN(Cc3ccccn3)CC2)c2ccccc2N1 ZINC000542478195 504506872 /nfs/dbraw/zinc/50/68/72/504506872.db2.gz QERMDYMWJJXFKX-HXUWFJFHSA-N 2 0 350.466 3.109 20 0 FGADRP CCC[NH+]1CCC([NH2+]C[C@@H](CO)Cc2ccccc2C(F)(F)F)CC1 ZINC000539295391 504521839 /nfs/dbraw/zinc/52/18/39/504521839.db2.gz LMAQNUPUDSXVSF-HNNXBMFYSA-N 2 0 358.448 3.320 20 0 FGADRP C[C@@H]([NH3+])C[C@H](C)NC(=O)NCc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000520577843 504532618 /nfs/dbraw/zinc/53/26/18/504532618.db2.gz DGIGSUVQOGEJMY-SJORKVTESA-N 2 0 360.546 3.376 20 0 FGADRP C[C@H]1C[C@@H](NC(=O)CC[NH+](C)C2CCCCC2)C[N@@H+]1Cc1ccccc1 ZINC000548714974 504537695 /nfs/dbraw/zinc/53/76/95/504537695.db2.gz BLQVELDAMFFXQT-AZUAARDMSA-N 2 0 357.542 3.420 20 0 FGADRP C[C@@H]([NH2+]CCCC[NH+]1CCN(C)CC1)c1cc(Br)ccc1F ZINC000532195536 504569639 /nfs/dbraw/zinc/56/96/39/504569639.db2.gz RBZQCZJQVKMMIW-CQSZACIVSA-N 2 0 372.326 3.266 20 0 FGADRP CN1CC[NH+](CC2(C)CC[NH+](Cc3ccc(F)c4cccnc34)CC2)CC1 ZINC000542688541 504576111 /nfs/dbraw/zinc/57/61/11/504576111.db2.gz CGXCCLRBMUUMOD-UHFFFAOYSA-N 2 0 370.516 3.223 20 0 FGADRP CN(CCC(=O)N(C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1cc[nH+]cc1 ZINC000542784494 504609251 /nfs/dbraw/zinc/60/92/51/504609251.db2.gz MBHCIURDEVXEOA-OAQYLSRUSA-N 2 0 366.509 3.031 20 0 FGADRP C[C@H]([NH2+]C[C@H]1COc2ccccc2O1)c1cccc(OCC[NH+](C)C)c1 ZINC000539609771 504624566 /nfs/dbraw/zinc/62/45/66/504624566.db2.gz MNHUUSPDQUABLX-LPHOPBHVSA-N 2 0 356.466 3.118 20 0 FGADRP CC1CC[NH+](Cc2cccc(CNC(=O)N[C@@H]3CC[NH2+]C34CCC4)c2)CC1 ZINC000529300698 504626786 /nfs/dbraw/zinc/62/67/86/504626786.db2.gz DQATWPXSZYGQMT-HXUWFJFHSA-N 2 0 370.541 3.002 20 0 FGADRP CCC[C@H]([NH2+][C@@H]1CCC[C@@H]([NH3+])C1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000521068378 504642058 /nfs/dbraw/zinc/64/20/58/504642058.db2.gz WUDLPUVWYYLVGB-HLIPFELVSA-N 2 0 358.530 3.254 20 0 FGADRP COc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]CCN1CCC[C@@H](C)C1 ZINC000532459424 504658317 /nfs/dbraw/zinc/65/83/17/504658317.db2.gz QMCHSFZYWPGTIN-HUUCEWRRSA-N 2 0 367.921 3.387 20 0 FGADRP C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@@H](C)CC[NH+](C)C ZINC000532491562 504669543 /nfs/dbraw/zinc/66/95/43/504669543.db2.gz HXELLUNQQVQKEI-QWHCGFSZSA-N 2 0 356.308 3.096 20 0 FGADRP Cc1cc(CNC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)ccc1Cl ZINC000546041469 504685994 /nfs/dbraw/zinc/68/59/94/504685994.db2.gz RJJDVOPGZITTPR-UHFFFAOYSA-N 2 0 368.953 3.063 20 0 FGADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](C[C@H](OC)c2ccc(Cl)cc2)C1 ZINC000549137515 504699180 /nfs/dbraw/zinc/69/91/80/504699180.db2.gz UOXGJSFIGGKZRQ-OALUTQOASA-N 2 0 354.922 3.460 20 0 FGADRP C[C@@H]1C[N@H+](Cc2cccc(-c3ccncc3)c2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000539822802 504704019 /nfs/dbraw/zinc/70/40/19/504704019.db2.gz MWQYSVMZBDQOFT-AUSIDOKSSA-N 2 0 364.537 3.206 20 0 FGADRP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCC[C@@H](C(=O)N2CCCC2)C1 ZINC000539828162 504706516 /nfs/dbraw/zinc/70/65/16/504706516.db2.gz FESUFLZBFQDOQV-OAQYLSRUSA-N 2 0 371.569 3.479 20 0 FGADRP CC[N@H+](CCC1CCN(C(=O)c2c[nH+]ccc2N(C)C)CC1)CC(C)C ZINC000546125833 504719340 /nfs/dbraw/zinc/71/93/40/504719340.db2.gz NKEZRDYECLVYES-UHFFFAOYSA-N 2 0 360.546 3.368 20 0 FGADRP Cn1ccnc1[C@@H]1CCN(Cc2ncc(Cl)cc2Br)C1 ZINC000529566675 504730748 /nfs/dbraw/zinc/73/07/48/504730748.db2.gz FQFCJEKOEUFFOM-SNVBAGLBSA-N 2 0 355.667 3.221 20 0 FGADRP CN(c1ccccc1C[N@@H+]1CCC[C@H]([C@H]2CCOC2)C1)C1CC[NH+](C)CC1 ZINC000539899337 504734895 /nfs/dbraw/zinc/73/48/95/504734895.db2.gz DRFQOPILYOGUIM-FPOVZHCZSA-N 2 0 371.569 3.466 20 0 FGADRP COc1ccc(-c2noc([C@H](C)[N@@H+]3CC[C@@H](c4nccn4C)C3)n2)cc1 ZINC000521455943 504740523 /nfs/dbraw/zinc/74/05/23/504740523.db2.gz WOLVKBHJRNNNFJ-DZGCQCFKSA-N 2 0 353.426 3.029 20 0 FGADRP C[C@H](CC[NH+](C)C)NC(=O)NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000521605352 504763685 /nfs/dbraw/zinc/76/36/85/504763685.db2.gz LJIKAKSQVCAGHE-MSOLQXFVSA-N 2 0 360.546 3.200 20 0 FGADRP C[C@@H]1[C@H](NC(=O)CC[NH+](C)C2CCCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000559091516 504779662 /nfs/dbraw/zinc/77/96/62/504779662.db2.gz QBHSZUVVDXENNS-WIYYLYMNSA-N 2 0 357.542 3.420 20 0 FGADRP Cc1c2ccccc2oc1[C@@H](C)[NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000562319563 504782876 /nfs/dbraw/zinc/78/28/76/504782876.db2.gz ZQADNYVNLGCFFN-OAHLLOKOSA-N 2 0 355.482 3.135 20 0 FGADRP C[NH+]1CCC([C@@H]2CC[N@H+](Cc3ccc(OC[C@@H]4CCCO4)cc3)C2)CC1 ZINC000565356103 504864457 /nfs/dbraw/zinc/86/44/57/504864457.db2.gz TYOJBJWJYZLIDO-IRLDBZIGSA-N 2 0 358.526 3.408 20 0 FGADRP C[C@@H]1C[C@H](CCNC(=O)C2CC[NH+](C3CC3)CC2)C[N@@H+]1Cc1ccccc1 ZINC000549646677 504867287 /nfs/dbraw/zinc/86/72/87/504867287.db2.gz IKVYHMFMLKXURH-QUCCMNQESA-N 2 0 369.553 3.278 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)C[C@@H](c2ncc[nH]2)c2ccccc2)C1 ZINC000553327959 504884494 /nfs/dbraw/zinc/88/44/94/504884494.db2.gz YRIPGFOHAQXLHJ-WSTZPKSXSA-N 2 0 368.525 3.416 20 0 FGADRP OC[C@H]1CCC[N@@H+]1CCCC[NH2+][C@@H](Cc1ccccc1Cl)C1CC1 ZINC000559767054 504924746 /nfs/dbraw/zinc/92/47/46/504924746.db2.gz NIPVZZPUUVZRIX-QUCCMNQESA-N 2 0 350.934 3.488 20 0 FGADRP Cc1ncc2n1C[C@H](C(=O)N1CCC(CC[N@H+]3CCCC[C@@H]3C)CC1)CC2 ZINC000553513796 504936774 /nfs/dbraw/zinc/93/67/74/504936774.db2.gz OIJGXCMVNRZBRE-FXAWDEMLSA-N 2 0 372.557 3.257 20 0 FGADRP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000562818922 504956192 /nfs/dbraw/zinc/95/61/92/504956192.db2.gz TYRPIBSVNGOISH-TYPHKJRUSA-N 2 0 372.557 3.200 20 0 FGADRP CCC[NH+]1CCN(c2ccccc2C[NH2+]Cc2cnc3n2CCCC3)CC1 ZINC000560073416 504984725 /nfs/dbraw/zinc/98/47/25/504984725.db2.gz TXLHRVQSXOSESN-UHFFFAOYSA-N 2 0 367.541 3.041 20 0 FGADRP COC(=O)CCC[C@@H]1CCC[C@H]([NH2+]CC2(SC)CC[NH+](C)CC2)C1 ZINC000550218611 504994799 /nfs/dbraw/zinc/99/47/99/504994799.db2.gz SRBAGCSAGKOMOB-IRXDYDNUSA-N 2 0 356.576 3.306 20 0 FGADRP CC(=O)N1CCC([NH2+][C@@H]2CCCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000556864178 504999596 /nfs/dbraw/zinc/99/95/96/504999596.db2.gz CNUGWFUTFCUDIA-AKIFATBCSA-N 2 0 369.553 3.278 20 0 FGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@H](C)CCc2ccc(F)cc2F)CC1 ZINC000556874001 505002159 /nfs/dbraw/zinc/00/21/59/505002159.db2.gz YPKWKQCDRNIPBF-DLBZAZTESA-N 2 0 353.501 3.149 20 0 FGADRP c1ccc(C[N@H+]2C[C@H](C[NH2+]Cc3cccnc3)C3(C2)CCOCC3)cc1 ZINC000550262976 505005366 /nfs/dbraw/zinc/00/53/66/505005366.db2.gz QBQASDMCDKYHBH-NRFANRHFSA-N 2 0 351.494 3.100 20 0 FGADRP CC[N@H+](Cc1ccc(C(=O)N2CC[NH+]([C@@H]3C[C@H]3C)C[C@@H](C)C2)cc1)C1CC1 ZINC000553781836 505007599 /nfs/dbraw/zinc/00/75/99/505007599.db2.gz GLRUXNINTZMFDW-JBYIUTFZSA-N 2 0 369.553 3.473 20 0 FGADRP C[C@@H]1C[C@H]([NH2+]CCC[N@@H+]2CCC[C@H](C(N)=O)C2)C[C@@H](c2ccccc2)C1 ZINC000553780960 505008272 /nfs/dbraw/zinc/00/82/72/505008272.db2.gz DEOCVHBCQVMAAU-VMXMFDLUSA-N 2 0 357.542 3.136 20 0 FGADRP [NH3+][C@@H]1CCO[C@@H](C2CC[NH+](Cc3c[nH]nc3-c3cccc(Cl)c3)CC2)C1 ZINC000556963818 505032728 /nfs/dbraw/zinc/03/27/28/505032728.db2.gz JSAJSXNKZDELBN-RTBURBONSA-N 2 0 374.916 3.448 20 0 FGADRP C[C@@H]1C[C@@H](C[N@@H+]2CCC[C@H](CNC(=O)Nc3cccc(F)c3)C2)CC[NH2+]1 ZINC000565939073 505032872 /nfs/dbraw/zinc/03/28/72/505032872.db2.gz JHTZTFTZKBKRBG-IXDOHACOSA-N 2 0 362.493 3.047 20 0 FGADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N(C)CCC[NH+](C)Cc1ccco1 ZINC000553892953 505034829 /nfs/dbraw/zinc/03/48/29/505034829.db2.gz IHZYQKXVQPSLHX-GOSISDBHSA-N 2 0 364.534 3.007 20 0 FGADRP C[C@H]1[NH2+]CC[C@H]1C(=O)NCc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000563065330 505038348 /nfs/dbraw/zinc/03/83/48/505038348.db2.gz HQBIIXDHRRRSIH-OXQOHEQNSA-N 2 0 351.494 3.029 20 0 FGADRP COc1nc2ccccc2cc1C[NH2+]CCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000560327715 505046652 /nfs/dbraw/zinc/04/66/52/505046652.db2.gz MZDOHLUNXNGGPT-IRXDYDNUSA-N 2 0 357.498 3.222 20 0 FGADRP C[C@H]1[C@@H](NC(=O)Nc2cccc3c2CC[NH2+]C3)CC[N@@H+]1Cc1ccccc1 ZINC000557028824 505047685 /nfs/dbraw/zinc/04/76/85/505047685.db2.gz SHKZXJUPSNZRTK-JXFKEZNVSA-N 2 0 364.493 3.117 20 0 FGADRP O=C(CN[C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)NC1CCCCC1 ZINC000563121025 505052618 /nfs/dbraw/zinc/05/26/18/505052618.db2.gz XOUSDQSQTKOVLW-FQEVSTJZSA-N 2 0 355.526 3.222 20 0 FGADRP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000557140717 505076370 /nfs/dbraw/zinc/07/63/70/505076370.db2.gz PPXBTQFGXMLNGS-RXVVDRJESA-N 2 0 372.557 3.474 20 0 FGADRP COC[C@@H]([NH2+]CCCN1CC[N@H+](C)C[C@@H]1c1ccccc1)c1ccccc1 ZINC000554050848 505076443 /nfs/dbraw/zinc/07/64/43/505076443.db2.gz VUHFSFATBDERJL-DHIUTWEWSA-N 2 0 367.537 3.343 20 0 FGADRP COc1ccc(O[C@H](C)C[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000566089327 505077256 /nfs/dbraw/zinc/07/72/56/505077256.db2.gz YUWYCRGURONJLI-CNDZOEFASA-N 2 0 368.477 3.308 20 0 FGADRP O[C@@H](C[NH2+]Cc1cccc(C[NH+]2CCCC2)c1)COCc1ccccc1F ZINC000566106725 505083422 /nfs/dbraw/zinc/08/34/22/505083422.db2.gz XYCASOYYXPYJIR-NRFANRHFSA-N 2 0 372.484 3.089 20 0 FGADRP C[N@@H+]1CCC[C@H](CNC(=O)C[C@@H]([NH3+])Cc2ccccc2)[C@@H]1c1cccs1 ZINC000566185391 505106920 /nfs/dbraw/zinc/10/69/20/505106920.db2.gz BOLZCCGXIVGVRC-LVCYWYKZSA-N 2 0 371.550 3.207 20 0 FGADRP NC(=O)C1CCC([NH2+][C@@H]2CCCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000560521586 505112817 /nfs/dbraw/zinc/11/28/17/505112817.db2.gz VZKCIKQXCAQOAT-NPRSCZTNSA-N 2 0 369.553 3.311 20 0 FGADRP C[C@H]([NH2+]CCCN1CC[N@H+](C)C[C@H]1c1ccccc1)c1ccncc1F ZINC000550885622 505119387 /nfs/dbraw/zinc/11/93/87/505119387.db2.gz ITSHDJWJYOPJSF-UWJYYQICSA-N 2 0 356.489 3.250 20 0 FGADRP Cc1nn(-c2ccccc2)c(C)c1C[NH+]1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000563460785 505147025 /nfs/dbraw/zinc/14/70/25/505147025.db2.gz RKTAZOXLJXAXNC-FCHUYYIVSA-N 2 0 368.525 3.207 20 0 FGADRP Cc1ccc(C[NH+]2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)c(-c2ccnn2C)c1 ZINC000563462223 505147239 /nfs/dbraw/zinc/14/72/39/505147239.db2.gz RWAUBOWVJYHWML-SIKLNZKXSA-N 2 0 368.525 3.114 20 0 FGADRP Cc1cc(CNC(=O)CC[N@@H+](C)C2CCCCC2)cc(N2CCCC2)n1 ZINC000557612542 505181919 /nfs/dbraw/zinc/18/19/19/505181919.db2.gz AVYDBKYMEPPIBY-UHFFFAOYSA-N 2 0 358.530 3.261 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCN[C@H](c2cn[nH]n2)c2ccc(F)cc2)C1 ZINC000551265254 505188286 /nfs/dbraw/zinc/18/82/86/505188286.db2.gz JYAVHJGYBPKVBG-YRNRMSPPSA-N 2 0 359.493 3.381 20 0 FGADRP C[NH+](C)CCN(Cc1cccs1)C(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000557634599 505188700 /nfs/dbraw/zinc/18/87/00/505188700.db2.gz LGSKFRRGPDTOHT-LJQANCHMSA-N 2 0 371.550 3.160 20 0 FGADRP C[C@H](NC(=O)NCc1cccc(C[NH+]2CCC(C)CC2)c1)[C@H]1CCC[NH2+]C1 ZINC000563610306 505192275 /nfs/dbraw/zinc/19/22/75/505192275.db2.gz PYBGRBHIIVWBJG-RXVVDRJESA-N 2 0 372.557 3.106 20 0 FGADRP O=C(NC[C@H]1CCC[N@H+](CC[C@@H]2CCC[NH2+]C2)C1)Nc1cccc(F)c1 ZINC000563664665 505204782 /nfs/dbraw/zinc/20/47/82/505204782.db2.gz AEHLSBKNZBTNSM-DLBZAZTESA-N 2 0 362.493 3.049 20 0 FGADRP C[N@H+](CCCNC(=O)[C@H]1CC[NH+](Cc2ccccc2)C1)Cc1ccccc1 ZINC000561082141 505246087 /nfs/dbraw/zinc/24/60/87/505246087.db2.gz JGESVIVCBZLCCS-QFIPXVFZSA-N 2 0 365.521 3.147 20 0 FGADRP [NH3+]C[C@H](Cc1ccccc1)[C@@H]1CCCCN1C(=O)C[C@H]1CCCC[C@H]1[NH3+] ZINC000566727802 505256635 /nfs/dbraw/zinc/25/66/35/505256635.db2.gz GAPPPQHXRSKVJN-MHTWAQMVSA-N 2 0 357.542 3.093 20 0 FGADRP CC[NH+]1CCC(CNC(=O)NC[C@H](c2ccc(C)cc2)[NH+]2CCCC2)CC1 ZINC000563861574 505260048 /nfs/dbraw/zinc/26/00/48/505260048.db2.gz MAMCJOMVBFYZQI-OAQYLSRUSA-N 2 0 372.557 3.163 20 0 FGADRP C[C@H](NC(=O)NC[C@H](c1ccccc1)[NH+]1CCC(C)CC1)[C@@H]1CCC[NH2+]C1 ZINC000563874861 505263956 /nfs/dbraw/zinc/26/39/56/505263956.db2.gz QFGWPPVFZDCDLV-CEWLAPEOSA-N 2 0 372.557 3.147 20 0 FGADRP CC1CC[NH+](Cc2cccc(CNC(=O)c3conc3C(C)(C)[NH3+])c2)CC1 ZINC000563896478 505269458 /nfs/dbraw/zinc/26/94/58/505269458.db2.gz BVMWGHGDLQYEQZ-UHFFFAOYSA-N 2 0 370.497 3.030 20 0 FGADRP O=C(C[NH2+][C@H](c1cccc(F)c1)C1CCCC1)NC1CC[NH+](C2CC2)CC1 ZINC000561198957 505278474 /nfs/dbraw/zinc/27/84/74/505278474.db2.gz CVTLBVFWKYAIIA-QFIPXVFZSA-N 2 0 373.516 3.390 20 0 FGADRP Cc1ccc(C[C@@H]2CCC[N@@H+](CC(=O)NC3CC[NH+](C(C)C)CC3)C2)cc1 ZINC000563943191 505283403 /nfs/dbraw/zinc/28/34/03/505283403.db2.gz ASPPGMLSTKOVSS-NRFANRHFSA-N 2 0 371.569 3.239 20 0 FGADRP Cc1ccccc1C[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)C1CC1 ZINC000551793669 505309709 /nfs/dbraw/zinc/30/97/09/505309709.db2.gz OPSDESIPZMMAQS-JOCHJYFZSA-N 2 0 364.537 3.253 20 0 FGADRP C[C@H]([NH2+]C[C@H](O)Cc1cccc(Cl)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000558116807 505311637 /nfs/dbraw/zinc/31/16/37/505311637.db2.gz LFWAUPPLEWCTNK-RIFZZMRRSA-N 2 0 350.934 3.486 20 0 FGADRP CSc1ccc([C@@H](CNC(=O)CC[N@@H+]2CCCC[C@@H]2C)[NH+](C)C)cc1 ZINC000566937248 505316130 /nfs/dbraw/zinc/31/61/30/505316130.db2.gz SAXPTKFUKMHCBR-QFBILLFUSA-N 2 0 363.571 3.392 20 0 FGADRP O=C(c1cccc(C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)c1)N1CCCCC1 ZINC000564085926 505321413 /nfs/dbraw/zinc/32/14/13/505321413.db2.gz RYGLTWKKTAPSKH-OAQYLSRUSA-N 2 0 355.526 3.134 20 0 FGADRP [NH3+][C@@H]1CCO[C@H](C2CC[NH+](Cc3coc(-c4cccc(F)c4)n3)CC2)C1 ZINC000564193205 505349669 /nfs/dbraw/zinc/34/96/69/505349669.db2.gz KGQABWDKKDJFII-MJGOQNOKSA-N 2 0 359.445 3.199 20 0 FGADRP C[C@H](C(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)C)[C@@H]([NH3+])c1ccccc1 ZINC000567107792 505365342 /nfs/dbraw/zinc/36/53/42/505365342.db2.gz RPBNWZPVQFWLRM-GDIGMMSISA-N 2 0 359.901 3.395 20 0 FGADRP CC[C@H]([NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1)c1ccc(Cl)s1 ZINC000558393075 505374752 /nfs/dbraw/zinc/37/47/52/505374752.db2.gz JDMRLZVEHVDJNT-AWEZNQCLSA-N 2 0 355.935 3.185 20 0 FGADRP C[C@H]([NH2+]CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)C1CCCCC1 ZINC000558393519 505375730 /nfs/dbraw/zinc/37/57/30/505375730.db2.gz PJIZTFVYHBSMPH-SFHVURJKSA-N 2 0 357.542 3.457 20 0 FGADRP C[C@H]1[C@H](NC(=O)NCCC[NH2+]C2CCCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000561591150 505385385 /nfs/dbraw/zinc/38/53/85/505385385.db2.gz PWFDUTMMUKRAFM-GHTZIAJQSA-N 2 0 372.557 3.261 20 0 FGADRP CC(C)Cc1ccc([C@H](CNC(=O)N(C)CCC[NH+](C)C)[NH+](C)C)cc1 ZINC000567192255 505390875 /nfs/dbraw/zinc/39/08/75/505390875.db2.gz XKSOVASGRXLOLO-FQEVSTJZSA-N 2 0 362.562 3.081 20 0 FGADRP C[C@H]1CCC[C@@](CNC(=O)N2CCC[N@@H+](C3CCCC3)CC2)([NH+](C)C)C1 ZINC000558447242 505392855 /nfs/dbraw/zinc/39/28/55/505392855.db2.gz JLMVCWWMMOUGPK-GHTZIAJQSA-N 2 0 364.578 3.157 20 0 FGADRP CCC[N@H+](CC)C[C@@H](C)NC(=O)N[C@@H](C)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000567206537 505394290 /nfs/dbraw/zinc/39/42/90/505394290.db2.gz OHFQOXMKFDYCAN-DYXWJJEUSA-N 2 0 374.573 3.317 20 0 FGADRP C[C@H]1C[NH+](CCC2CC[NH+](Cc3cccc4c3OCO4)CC2)C[C@H](C)O1 ZINC000552092032 505395909 /nfs/dbraw/zinc/39/59/09/505395909.db2.gz GWKWTKJATJGGTQ-IRXDYDNUSA-N 2 0 360.498 3.127 20 0 FGADRP C[C@@H]1C[NH+](CCC2CC[NH+](Cc3cccc4c3OCO4)CC2)C[C@@H](C)O1 ZINC000552092031 505396216 /nfs/dbraw/zinc/39/62/16/505396216.db2.gz GWKWTKJATJGGTQ-IAGOWNOFSA-N 2 0 360.498 3.127 20 0 FGADRP COc1ccc([C@@H](C)[NH2+]CC2(N3CCCCC3)CC[NH+](C)CC2)cc1O ZINC000558493529 505407362 /nfs/dbraw/zinc/40/73/62/505407362.db2.gz RZMYHCKJLDATBL-QGZVFWFLSA-N 2 0 361.530 3.002 20 0 FGADRP CC[C@H]1CN(C(=O)NCC2CC[NH+](CC)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000564403918 505409633 /nfs/dbraw/zinc/40/96/33/505409633.db2.gz ULUSSRPGPLLSHG-NRFANRHFSA-N 2 0 372.557 3.024 20 0 FGADRP C[C@@H]1C[C@H]1[N@@H+]1CCN(C(=O)c2oc3ccccc3c2C[NH+](C)C)C[C@@H](C)C1 ZINC000561760217 505429051 /nfs/dbraw/zinc/42/90/51/505429051.db2.gz APUODCFWEVSKLP-FRQCXROJSA-N 2 0 369.509 3.297 20 0 FGADRP Cc1cc(Cl)cc(C[NH2+]Cc2cccc(C(=O)NCC[NH+](C)C)c2)c1 ZINC000555537685 505449890 /nfs/dbraw/zinc/44/98/90/505449890.db2.gz LIBJRXHVBILFGD-UHFFFAOYSA-N 2 0 359.901 3.230 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1)c1cccc(OC)c1 ZINC000561945714 505474064 /nfs/dbraw/zinc/47/40/64/505474064.db2.gz FVKSNGQXPMECBG-RZXSNQJFSA-N 2 0 373.541 3.115 20 0 FGADRP [NH3+][C@H](Cc1ccccc1)C(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000561946602 505475572 /nfs/dbraw/zinc/47/55/72/505475572.db2.gz SPEDOJZBQQWZHG-UXHICEINSA-N 2 0 371.912 3.163 20 0 FGADRP [NH3+][C@@H]1CCC[C@H](CNC(=O)NC[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)C1 ZINC000564644683 505481376 /nfs/dbraw/zinc/48/13/76/505481376.db2.gz VEOQTYCTHHNPLL-PCCBWWKXSA-N 2 0 372.557 3.105 20 0 FGADRP COc1cccc(CC[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c1OC ZINC000567641633 505521906 /nfs/dbraw/zinc/52/19/06/505521906.db2.gz YWUKOXMZDIPVOM-GCJKJVERSA-N 2 0 368.477 3.092 20 0 FGADRP Clc1cccc([C@H]2CC[C@@H]([NH2+]Cc3nnc(C4CC[NH2+]CC4)[nH]3)C2)c1 ZINC000564839756 505534888 /nfs/dbraw/zinc/53/48/88/505534888.db2.gz BPOSWFSJOQCPFR-DOTOQJQBSA-N 2 0 359.905 3.351 20 0 FGADRP O[C@@H](C[NH2+]Cc1ccccc1C[NH+]1CCCC1)COCc1cccs1 ZINC000564846566 505537048 /nfs/dbraw/zinc/53/70/48/505537048.db2.gz PQBBKKYTFCNIQP-IBGZPJMESA-N 2 0 360.523 3.011 20 0 FGADRP C[N@@H+]1CCC[C@H](CC[NH2+]C[C@@H](O)COc2cc(Cl)ccc2Cl)C1 ZINC000564855218 505540492 /nfs/dbraw/zinc/54/04/92/505540492.db2.gz DPSROQBLNNOAHG-UKRRQHHQSA-N 2 0 361.313 3.055 20 0 FGADRP CCC[NH+]1CCN(c2ccccc2C[N@@H+]2CC[C@H](n3cc(C)cn3)C2)CC1 ZINC000562213496 505541884 /nfs/dbraw/zinc/54/18/84/505541884.db2.gz KROPEIJHZBNADW-NRFANRHFSA-N 2 0 367.541 3.171 20 0 FGADRP COc1ccc([C@H](CNC(=O)C[C@H]2CCCC[C@@H]2[NH3+])[NH+]2CCCCC2)cc1 ZINC000567746534 505555340 /nfs/dbraw/zinc/55/53/40/505555340.db2.gz XSJRGLPDBBOTTN-GIVPXCGWSA-N 2 0 373.541 3.246 20 0 FGADRP CC[N@H+](C)[C@@H](C(=O)N1CC[C@H]([NH+](C)Cc2ccccc2)C1)c1ccccc1 ZINC000608165572 506448078 /nfs/dbraw/zinc/44/80/78/506448078.db2.gz RPSVLQUXZLDYIK-FCHUYYIVSA-N 2 0 365.521 3.412 20 0 FGADRP CC1CC[NH+](CCc2cccc(NC(=O)NC[C@@]3(C)CCC[NH2+]C3)c2)CC1 ZINC000582892910 506475308 /nfs/dbraw/zinc/47/53/08/506475308.db2.gz GQWKPHREIBKYJS-QFIPXVFZSA-N 2 0 372.557 3.472 20 0 FGADRP [NH3+]C[C@@H](NC(=O)NC[C@H]1CCCC[N@@H+]1C1CC1)c1ccc2ccccc2c1 ZINC000582894731 506477195 /nfs/dbraw/zinc/47/71/95/506477195.db2.gz LZEUQJRQEYDIIA-NHCUHLMSSA-N 2 0 366.509 3.156 20 0 FGADRP C[C@@H](CC[NH+](C)C)NC(=O)c1ccccc1OCC[N@@H+]1CCCC[C@H]1C ZINC000603307834 506482063 /nfs/dbraw/zinc/48/20/63/506482063.db2.gz XMFOIRASVAGERK-ZWKOTPCHSA-N 2 0 361.530 3.010 20 0 FGADRP CCC[NH+]1CCC(N(C)C(=O)N[C@@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)CC1 ZINC000589213236 506487515 /nfs/dbraw/zinc/48/75/15/506487515.db2.gz QHJRFBDJKPOTND-UYAOXDASSA-N 2 0 372.557 3.338 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)NCC[NH2+]C(C)(C)C ZINC000608375817 506533062 /nfs/dbraw/zinc/53/30/62/506533062.db2.gz NDBLQXUVQHUUPM-QGZVFWFLSA-N 2 0 361.530 3.058 20 0 FGADRP CCC(CC)[C@@H](CNC(=O)N[C@H](C)C[NH+]1CCCCC1)[NH+]1CCCC1 ZINC000612338802 506534958 /nfs/dbraw/zinc/53/49/58/506534958.db2.gz NLPURXURKUSYFO-IEBWSBKVSA-N 2 0 352.567 3.061 20 0 FGADRP CCC(CC)(CNC(=O)N[C@H]1CCC[N@H+](C)C1)[NH2+][C@H](C)c1ccccc1 ZINC000603593417 506569467 /nfs/dbraw/zinc/56/94/67/506569467.db2.gz GYSMHZCPCJAWJU-MJGOQNOKSA-N 2 0 360.546 3.289 20 0 FGADRP CC[NH+](CC)CCOc1ccc(CNC(=O)[C@@H]([NH3+])c2ccccc2C)cc1 ZINC000583260611 506682587 /nfs/dbraw/zinc/68/25/87/506682587.db2.gz HKRBWMUBEJJKED-NRFANRHFSA-N 2 0 369.509 3.032 20 0 FGADRP CC[N@H+](C)[C@H](C(=O)NCCC[NH+]1CCc2ccccc2C1)c1ccccc1 ZINC000589994527 506700360 /nfs/dbraw/zinc/70/03/60/506700360.db2.gz JEUJSQPDCMWNJI-QFIPXVFZSA-N 2 0 365.521 3.244 20 0 FGADRP CC(C)(C)OC(=O)C[C@H]1CCCN(Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000597031187 506739892 /nfs/dbraw/zinc/73/98/92/506739892.db2.gz WHCNNISLVQTYSS-MRXNPFEDSA-N 2 0 356.470 3.211 20 0 FGADRP CC[C@H](NC(=O)C[NH+]1CCC(C[NH+](C)C)CC1)c1ccc(Cl)cc1 ZINC000590125433 506744061 /nfs/dbraw/zinc/74/40/61/506744061.db2.gz RMUFSHKVTFSRSH-SFHVURJKSA-N 2 0 351.922 3.181 20 0 FGADRP C[NH+](C)CC1CC[NH+](C[C@H](O)COc2ccc(-c3ccccc3)cc2)CC1 ZINC000590125599 506744169 /nfs/dbraw/zinc/74/41/69/506744169.db2.gz BVMMOUXDHFESAH-QFIPXVFZSA-N 2 0 368.521 3.367 20 0 FGADRP CC[N@@H+]1CCC[C@H](CNC(=O)N[C@@H](C[NH+]2CCCCC2)c2ccccc2)C1 ZINC000604193597 506744559 /nfs/dbraw/zinc/74/45/59/506744559.db2.gz BEXPVYRRFXAPDN-CTNGQTDRSA-N 2 0 372.557 3.245 20 0 FGADRP c1coc(COCc2cccc(C[NH2+][C@@H]3CCOC[C@@H]3[C@H]3CCC[NH2+]3)c2)c1 ZINC000583434800 506777600 /nfs/dbraw/zinc/77/76/00/506777600.db2.gz BCAYEWSBBSWMDF-YPAWHYETSA-N 2 0 370.493 3.243 20 0 FGADRP Cc1ccc([C@H](CNC(=O)c2ccc(CC[NH+](C)C)cc2)[NH+](C)C)cc1 ZINC000583647861 506893824 /nfs/dbraw/zinc/89/38/24/506893824.db2.gz KVSHABVMTXBCOP-NRFANRHFSA-N 2 0 353.510 3.132 20 0 FGADRP C[NH+](C)CC[C@H](NC(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1)C(C)(C)C ZINC000604789020 506942746 /nfs/dbraw/zinc/94/27/46/506942746.db2.gz XFEHLSIWARLKAU-UXHICEINSA-N 2 0 374.573 3.489 20 0 FGADRP CC(C)[N@H+](C)CC1CC[NH+](CCC(=O)NCc2ccccc2Cl)CC1 ZINC000590818891 506980365 /nfs/dbraw/zinc/98/03/65/506980365.db2.gz GNKLQJPCYZLRIP-UHFFFAOYSA-N 2 0 365.949 3.399 20 0 FGADRP CC[N@H+](Cc1ccc(C(=O)N2C[C@H]3CCCC[NH+]3C[C@@H]2C)cc1)C1CC1 ZINC000604967544 507009656 /nfs/dbraw/zinc/00/96/56/507009656.db2.gz DGAHAPCJBCGDDO-LAUBAEHRSA-N 2 0 355.526 3.370 20 0 FGADRP CC(C)(C[NH2+]C[C@@H](O)COc1cccc(C(F)(F)F)c1)C[NH+]1CCCC1 ZINC000583867515 507019582 /nfs/dbraw/zinc/01/95/82/507019582.db2.gz ONLMEUCPAIEWGP-MRXNPFEDSA-N 2 0 374.447 3.157 20 0 FGADRP C[C@@H](c1cccc2ccccc21)[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000590937802 507047296 /nfs/dbraw/zinc/04/72/96/507047296.db2.gz AANHOQRHBLHNFS-KRWDZBQOSA-N 2 0 353.510 3.291 20 0 FGADRP CCOC(=O)C1([C@H](C)[NH2+][C@H]2CC[C@H](OCCC(C)C)CC2)CC[NH2+]CC1 ZINC000600707825 507075596 /nfs/dbraw/zinc/07/55/96/507075596.db2.gz BOQYAFRWVOHOSP-FHWLQOOXSA-N 2 0 368.562 3.271 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc2cc(F)ccc2o1 ZINC000605125309 507084941 /nfs/dbraw/zinc/08/49/41/507084941.db2.gz NBFFYXZWHPIHKV-QGZVFWFLSA-N 2 0 361.461 3.060 20 0 FGADRP O=C(NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)Nc1ccc2c(c1)C[NH2+]C2 ZINC000583982985 507086626 /nfs/dbraw/zinc/08/66/26/507086626.db2.gz SXTUEWZDYYBMPU-FQEVSTJZSA-N 2 0 350.466 3.076 20 0 FGADRP C[NH+](C)CCc1ccc(C(=O)NC[C@H](c2ccc(Cl)cc2)[NH+](C)C)cc1 ZINC000584003028 507097993 /nfs/dbraw/zinc/09/79/93/507097993.db2.gz SLPHAMLCZFCQPB-HXUWFJFHSA-N 2 0 373.928 3.477 20 0 FGADRP C[C@@H](CCNC(=O)[C@@H](C[NH+]1CCCC1)c1ccccc1)[NH+]1CCCCC1 ZINC000613466010 507105514 /nfs/dbraw/zinc/10/55/14/507105514.db2.gz UPKYIBZUDGHQJP-FPOVZHCZSA-N 2 0 357.542 3.247 20 0 FGADRP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)C1 ZINC000600888457 507162722 /nfs/dbraw/zinc/16/27/22/507162722.db2.gz WNXZDNKWPYYPHI-RBUKOAKNSA-N 2 0 364.578 3.157 20 0 FGADRP COC(=O)c1ccc2c(c1)[C@H]([NH2+]CC1(SC)CC[NH+](C)CC1)CCC2 ZINC000594518394 507165747 /nfs/dbraw/zinc/16/57/47/507165747.db2.gz HNVDPCLENCFTGW-GOSISDBHSA-N 2 0 362.539 3.268 20 0 FGADRP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)NCC2([NH2+][C@@H](C)c3ccccc3)CCCC2)C1 ZINC000584162524 507187442 /nfs/dbraw/zinc/18/74/42/507187442.db2.gz XBOWZAICLXIIPF-CMKODMSKSA-N 2 0 372.557 3.419 20 0 FGADRP Cc1nn(C)c2ncc(C[NH+]3CCC(C[NH+]4CCCCCC4)CC3)cc12 ZINC000613644896 507197669 /nfs/dbraw/zinc/19/76/69/507197669.db2.gz XFQVEEYGBFKDPO-UHFFFAOYSA-N 2 0 355.530 3.365 20 0 FGADRP CC(C)[N@H+](C)CCNC(=O)c1ccccc1OCC[NH+]1CCCC[C@H]1C ZINC000591453144 507255794 /nfs/dbraw/zinc/25/57/94/507255794.db2.gz UZAQSLJOCHTGCI-GOSISDBHSA-N 2 0 361.530 3.010 20 0 FGADRP C[C@H](CNC(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1)[NH+](C)C1CC1 ZINC000591554639 507289447 /nfs/dbraw/zinc/28/94/47/507289447.db2.gz CEWHMVDOZJBDNI-QZTJIDSGSA-N 2 0 372.557 3.200 20 0 FGADRP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N1CCN(Cc2ccccc2)C[C@@H]1C ZINC000605959897 507312178 /nfs/dbraw/zinc/31/21/78/507312178.db2.gz BIVSGRWWPUUECI-AQNXPRMDSA-N 2 0 372.557 3.023 20 0 FGADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)N2CCC[NH+](Cc3ccccc3)CC2)C1 ZINC000591618240 507314350 /nfs/dbraw/zinc/31/43/50/507314350.db2.gz LQCBJIRKGDZKRC-OAQYLSRUSA-N 2 0 372.557 3.024 20 0 FGADRP COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]Cc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000594919798 507315904 /nfs/dbraw/zinc/31/59/04/507315904.db2.gz BEZRSLVONZBZOX-CWFSZBLJSA-N 2 0 356.466 3.199 20 0 FGADRP CCOC(=O)c1cc(CNC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)on1 ZINC000601309622 507330415 /nfs/dbraw/zinc/33/04/15/507330415.db2.gz DERCEAAZKDIXJR-AYHJJNSGSA-N 2 0 369.465 3.137 20 0 FGADRP C[C@H](CSCCF)[NH2+]Cc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000595003749 507350626 /nfs/dbraw/zinc/35/06/26/507350626.db2.gz LLEVHGZVEWQGIV-BRWVUGGUSA-N 2 0 354.535 3.477 20 0 FGADRP C[C@H](CSCCF)[NH2+][C@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000595009769 507352125 /nfs/dbraw/zinc/35/21/25/507352125.db2.gz DOGIACIAALZIAF-HUUCEWRRSA-N 2 0 357.514 3.319 20 0 FGADRP C[N@H+]1CC=C(C[NH2+][C@@H]2CCc3ccc(I)cc32)CC1 ZINC000595025365 507358858 /nfs/dbraw/zinc/35/88/58/507358858.db2.gz GUYRBDWKLCDNQU-MRXNPFEDSA-N 2 0 368.262 3.130 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)N[C@@H](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000606623190 507456112 /nfs/dbraw/zinc/45/61/12/507456112.db2.gz BSIRMGFTECPCIH-PXNSSMCTSA-N 2 0 360.546 3.099 20 0 FGADRP Cc1ccc([C@H](CNC(=O)N[C@H](C)C2CC[NH+](C)CC2)[NH+]2CCCC2)cc1 ZINC000606662118 507473694 /nfs/dbraw/zinc/47/36/94/507473694.db2.gz NRENYMFZUIIMRA-NQIIRXRSSA-N 2 0 372.557 3.161 20 0 FGADRP CCCn1ccnc1CCC[N@H+](C)Cc1nc2cc(C(=O)OC)ccc2[nH]1 ZINC000595456539 507508234 /nfs/dbraw/zinc/50/82/34/507508234.db2.gz ZNLUSHWBGKJLOQ-UHFFFAOYSA-N 2 0 369.469 3.021 20 0 FGADRP COC(=O)c1ccc(Cl)c(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC000592433646 507655419 /nfs/dbraw/zinc/65/54/19/507655419.db2.gz MZGAJXBIWFOHDG-HOTGVXAUSA-N 2 0 350.890 3.338 20 0 FGADRP C[C@H](c1nnc(-c2ccccc2)o1)[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000586767794 507665955 /nfs/dbraw/zinc/66/59/55/507665955.db2.gz UREGHUFJRRJBAY-QGZVFWFLSA-N 2 0 370.497 3.232 20 0 FGADRP Cc1cc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)ccc1I ZINC000592470799 507669797 /nfs/dbraw/zinc/66/97/97/507669797.db2.gz IMPYZOHEVUWYHF-RBSFLKMASA-N 2 0 370.278 3.077 20 0 FGADRP CCC(CC)[C@H](CNC(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1)[NH+]1CCCC1 ZINC000592481437 507674526 /nfs/dbraw/zinc/67/45/26/507674526.db2.gz JQFRMGHZJMLXTM-ICSRJNTNSA-N 2 0 364.578 3.203 20 0 FGADRP COC(=O)C(C)(C)[C@@H]1CCC[N@H+](Cc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000611532292 507725233 /nfs/dbraw/zinc/72/52/33/507725233.db2.gz UNIGDSGWZHBDDK-GOSISDBHSA-N 2 0 362.514 3.038 20 0 FGADRP CC[C@@H]1CN(C(=O)NCc2ccc(C[NH+]3CCC(C)CC3)cc2)CC[C@@H]1[NH3+] ZINC000669115328 567997434 /nfs/dbraw/zinc/99/74/34/567997434.db2.gz MCPBLLWIGBUDQX-RTWAWAEBSA-N 2 0 372.557 3.187 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)NC[C@H]1CCCC[NH2+]1 ZINC000669117733 568032217 /nfs/dbraw/zinc/03/22/17/568032217.db2.gz AQTWNPGQESJZNX-YLJYHZDGSA-N 2 0 358.530 3.002 20 0 FGADRP Cc1ccccc1C[N@H+]1CCCN(C(=O)NC2CCC([NH+](C)C)CC2)CC1 ZINC000643248490 568292568 /nfs/dbraw/zinc/29/25/68/568292568.db2.gz YCJDYHZDWMLLIJ-UHFFFAOYSA-N 2 0 372.557 3.085 20 0 FGADRP c1ccc([C@@H]2C[N@H+](Cc3cccc(CN4CCOCC4)c3)CCCO2)cc1 ZINC000643250206 568316083 /nfs/dbraw/zinc/31/60/83/568316083.db2.gz HPHBVYKQSSKVDD-QHCPKHFHSA-N 2 0 366.505 3.482 20 0 FGADRP COc1cccc([C@H](C)[NH2+]CCN2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000390859555 568356184 /nfs/dbraw/zinc/35/61/84/568356184.db2.gz KVGPQNKTYWSALI-IBGZPJMESA-N 2 0 353.510 3.164 20 0 FGADRP CCC[N@H+](CC)C[C@@H](C)NC(=O)N1CC[C@@H]([NH+](C)Cc2ccccc2)C1 ZINC000643293906 568735392 /nfs/dbraw/zinc/73/53/92/568735392.db2.gz DVZLSWMFDYTQDP-UYAOXDASSA-N 2 0 360.546 3.023 20 0 FGADRP c1sc(C[NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)cc1-c1nn[nH]n1 ZINC000823748060 606209619 /nfs/dbraw/zinc/20/96/19/606209619.db2.gz OSSRFJYOUFSSRB-UHFFFAOYSA-N 2 0 368.510 3.204 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1CCC[NH2+][C@@H]1CCCc2cc(-c3nn[nH]n3)ccc21 ZINC000824936011 608496844 /nfs/dbraw/zinc/49/68/44/608496844.db2.gz DMHRKGMDXZNHSU-DNVCBOLYSA-N 2 0 354.502 3.098 20 0 FGADRP COc1cc(C[NH2+]CCCC[NH+]2C[C@@H](C)O[C@H](C)C2)ccc1SC ZINC000069160114 695947827 /nfs/dbraw/zinc/94/78/27/695947827.db2.gz CILXXEBAWXOXQO-HZPDHXFCSA-N 2 0 352.544 3.396 20 0 FGADRP C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]C[C@H](C1CC1)N(C)C ZINC000121043884 700664437 /nfs/dbraw/zinc/66/44/37/700664437.db2.gz IFPFTDBGSATJDR-MLGOLLRUSA-N 2 0 357.420 3.352 20 0 FGADRP CN(C)c1ccc(N2CCC([NH2+]C[C@](C)(O)c3cccs3)CC2)cc1 ZINC000156979209 705139189 /nfs/dbraw/zinc/13/91/89/705139189.db2.gz GNEAJOJGAVGNHJ-FQEVSTJZSA-N 2 0 359.539 3.280 20 0 FGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@H]2CCSc3c(F)cccc32)CC1 ZINC000178693904 705672778 /nfs/dbraw/zinc/67/27/78/705672778.db2.gz RZJFKSJCRJHIHQ-YJBOKZPZSA-N 2 0 351.535 3.226 20 0 FGADRP CC[NH+]1CCC(CC[NH2+][C@@H]2CCC[C@H]2CNC(=O)OC(C)(C)C)CC1 ZINC000180642389 705751041 /nfs/dbraw/zinc/75/10/41/705751041.db2.gz GOBGOPMNAXIZPK-ZWKOTPCHSA-N 2 0 353.551 3.391 20 0 FGADRP CC[NH+](CC)CCCC1CCN(C(=O)NC[C@H]2CCC[N@@H+]2CC)CC1 ZINC000183903469 705909482 /nfs/dbraw/zinc/90/94/82/705909482.db2.gz WQSKVTIAQRTQKQ-LJQANCHMSA-N 2 0 352.567 3.014 20 0 FGADRP COCC[N@H+](C)CCC[NH2+][C@H](C)c1cc(Br)cc(C)c1O ZINC000186997699 712730441 /nfs/dbraw/zinc/73/04/41/712730441.db2.gz OOZDDFRGYOJXMA-CYBMUJFWSA-N 2 0 359.308 3.082 20 0 FGADRP C[C@H](NC(=O)OC(C)(C)C)C1CC[NH+](CCC[NH+]2CCCCC2)CC1 ZINC000189017576 712783959 /nfs/dbraw/zinc/78/39/59/712783959.db2.gz LKXWMJNAPSVQAN-KRWDZBQOSA-N 2 0 353.551 3.488 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)[C@H](C)[C@@H](C)[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000192103513 712850384 /nfs/dbraw/zinc/85/03/84/712850384.db2.gz BXQRBBOACUSFKN-XJKCOSOUSA-N 2 0 359.436 3.188 20 0 FGADRP CCCC[NH+]1CCC([NH2+]C[C@@]2(C)CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000195194444 713548913 /nfs/dbraw/zinc/54/89/13/713548913.db2.gz AIKCTYCUCSPVRH-HXUWFJFHSA-N 2 0 353.551 3.488 20 0 FGADRP OC1CC[NH+](CCCNCC2=Cc3cc(Cl)cc(Cl)c3OC2)CC1 ZINC000238149372 713601436 /nfs/dbraw/zinc/60/14/36/713601436.db2.gz MAQCLUNMNRVIPM-UHFFFAOYSA-N 2 0 371.308 3.206 20 0 FGADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@H]2CCC[C@@H]2CNC(=O)OC(C)(C)C)C1 ZINC000245921338 713614076 /nfs/dbraw/zinc/61/40/76/713614076.db2.gz HBCSVIQYIQSOFI-KURKYZTESA-N 2 0 353.551 3.390 20 0 FGADRP CC(C)(C)OC(=O)N1CC[C@](C)(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)C1 ZINC000248667097 713655787 /nfs/dbraw/zinc/65/57/87/713655787.db2.gz PGRDKAYGDWWBKW-FXAWDEMLSA-N 2 0 351.535 3.051 20 0 FGADRP CC[NH+]1CCC(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)CC1 ZINC000310363901 713798904 /nfs/dbraw/zinc/79/89/04/713798904.db2.gz WCPBIONPOHVVTR-AYHJJNSGSA-N 2 0 351.535 3.238 20 0 FGADRP C[C@@]1([NH2+]CCCCC[NH2+][C@@]2(C)CCO[C@H]2C2CC2)CCO[C@H]1C1CC1 ZINC000374647467 713936535 /nfs/dbraw/zinc/93/65/35/713936535.db2.gz NPNXNQGGTZHSQR-XSDIEEQYSA-N 2 0 350.547 3.251 20 0 FGADRP C[C@@H](C[C@@H]1CCCN1C(=O)OC(C)(C)C)[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000385422806 713983158 /nfs/dbraw/zinc/98/31/58/713983158.db2.gz GZUBRKAQCBXICA-IRXDYDNUSA-N 2 0 353.551 3.486 20 0 FGADRP CC(C)(C)OC(=O)N1CCC(C)(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000386011710 713984146 /nfs/dbraw/zinc/98/41/46/713984146.db2.gz UXVJQDIRSMEWHU-IAGOWNOFSA-N 2 0 351.535 3.240 20 0 FGADRP CCOCCOc1ccc(Br)cc1C[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000414922166 714005657 /nfs/dbraw/zinc/00/56/57/714005657.db2.gz GNLHCCUHHZTOCY-HOTGVXAUSA-N 2 0 371.319 3.224 20 0 FGADRP C(CC[NH+]1CCC[C@@H]2COCC[C@@H]21)CC[N@@H+]1CCC[C@@H]2COCC[C@@H]21 ZINC000464860416 714074657 /nfs/dbraw/zinc/07/46/57/714074657.db2.gz ZXGDYQIXNJBTQO-CGXNFDGLSA-N 2 0 350.547 3.159 20 0 FGADRP CC(C)Oc1ccc(NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)c(Cl)c1 ZINC000525890082 714386342 /nfs/dbraw/zinc/38/63/42/714386342.db2.gz MPAOADMEANWLSM-UHFFFAOYSA-N 2 0 370.925 3.084 20 0 FGADRP CC(C)[N@H+](C)CC1CC[NH+](Cc2ccc(Cl)cc2-n2cncn2)CC1 ZINC000526969634 714416262 /nfs/dbraw/zinc/41/62/62/714416262.db2.gz MHUBMAZUAXZWJG-UHFFFAOYSA-N 2 0 361.921 3.473 20 0 FGADRP CCCN(CC[NH+]1CCCCCC1)C(=O)N[C@H](C)C1CC[NH+](C)CC1 ZINC000642518367 717978409 /nfs/dbraw/zinc/97/84/09/717978409.db2.gz PKKYNEMLBPMSKM-GOSISDBHSA-N 2 0 352.567 3.014 20 0 FGADRP O=C(C[N@@H+]1CCC[C@@H]1C1CCCC1)N1CCN(Cc2cccs2)CC1 ZINC000615459287 714529688 /nfs/dbraw/zinc/52/96/88/714529688.db2.gz JAUMFMPPJQKIJM-LJQANCHMSA-N 2 0 361.555 3.047 20 0 FGADRP C[NH+](C)[C@@H](CNC(=O)N1CC[NH+](CCC(C)(C)C)CC1)c1cccs1 ZINC000615616423 714539289 /nfs/dbraw/zinc/53/92/89/714539289.db2.gz RNYBARVJGISPPO-INIZCTEOSA-N 2 0 366.575 3.114 20 0 FGADRP COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000642630906 717985793 /nfs/dbraw/zinc/98/57/93/717985793.db2.gz QPRSQXCHIPQCLG-CWRNSKLLSA-N 2 0 365.905 3.282 20 0 FGADRP CC[NH+](CC)C[C@@H](C)NC(=O)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000620550226 714922628 /nfs/dbraw/zinc/92/26/28/714922628.db2.gz JRLJVSAFMGJAHV-GOSISDBHSA-N 2 0 352.567 3.014 20 0 FGADRP COc1cc(Cl)ccc1[C@H](C)[NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000643346120 718026092 /nfs/dbraw/zinc/02/60/92/718026092.db2.gz AHAHSFOMKHMVRJ-GOEBONIOSA-N 2 0 351.922 3.168 20 0 FGADRP C[N@@H+]1CC[C@H]([NH2+]C[C@@H](O)COc2cccc(Cl)c2Cl)CC1(C)C ZINC000623377045 715320806 /nfs/dbraw/zinc/32/08/06/715320806.db2.gz LKNVSADIFAOSPT-QWHCGFSZSA-N 2 0 361.313 3.196 20 0 FGADRP C[N@@H+]1CC[C@@H]([NH2+]C[C@@H](O)COc2cccc(Cl)c2Cl)CC1(C)C ZINC000623377043 715321112 /nfs/dbraw/zinc/32/11/12/715321112.db2.gz LKNVSADIFAOSPT-CHWSQXEVSA-N 2 0 361.313 3.196 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)NC[C@@H]1CCCC[N@H+](C)C1)c1ccsc1 ZINC000623420824 715332724 /nfs/dbraw/zinc/33/27/24/715332724.db2.gz PLOLFAQKLYQSOZ-FUHWJXTLSA-N 2 0 366.575 3.162 20 0 FGADRP C[N@@H+]1CC[C@H]([NH2+]C[C@H](CO)Cc2ccccc2C(F)(F)F)CC1(C)C ZINC000623454676 715339959 /nfs/dbraw/zinc/33/99/59/715339959.db2.gz NQSHXOCMDBTSSN-ZBFHGGJFSA-N 2 0 358.448 3.319 20 0 FGADRP Cc1ccc(Br)cc1[C@@H](C)[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000623978477 715445385 /nfs/dbraw/zinc/44/53/85/715445385.db2.gz VDFGBZQELUZVMT-OAHLLOKOSA-N 2 0 368.363 3.434 20 0 FGADRP C[C@@H]([NH2+]C[C@H]1CCCN1CC(F)F)c1cccc(OCC[NH+](C)C)c1 ZINC000624094826 715470836 /nfs/dbraw/zinc/47/08/36/715470836.db2.gz OAIWCAGEDJTMEM-NVXWUHKLSA-N 2 0 355.473 3.007 20 0 FGADRP C[C@@H]1C[C@@H](NC(=O)N[C@@H](C[NH+](C)C)c2ccc(Cl)c(Cl)c2)CC[NH2+]1 ZINC000627089851 715995244 /nfs/dbraw/zinc/99/52/44/715995244.db2.gz PUSIYYFCQUVKRB-FFSVYQOJSA-N 2 0 373.328 3.036 20 0 FGADRP COc1ccc([C@@H]([NH2+]CCOCCC[NH3+])C(C)C)c(Br)c1 ZINC000629541354 716305001 /nfs/dbraw/zinc/30/50/01/716305001.db2.gz YWTBSZMXTRAAJF-INIZCTEOSA-N 2 0 359.308 3.110 20 0 FGADRP COc1ccc(C[C@H](C)C[N@@H+]2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1F ZINC000629654860 716330061 /nfs/dbraw/zinc/33/00/61/716330061.db2.gz IXWDHXPKIZKCJO-AEGPPILISA-N 2 0 362.411 3.472 20 0 FGADRP CCN1CC[NH+](CCCC[NH2+]Cc2ccccc2CC(F)(F)F)CC1 ZINC000631042421 716553620 /nfs/dbraw/zinc/55/36/20/716553620.db2.gz QWOZWYPKYGTTOR-UHFFFAOYSA-N 2 0 357.464 3.299 20 0 FGADRP Fc1cc(Br)cnc1CN1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000631826461 716686784 /nfs/dbraw/zinc/68/67/84/716686784.db2.gz NYOMSHCKWNPACD-STQMWFEESA-N 2 0 356.283 3.195 20 0 FGADRP C[C@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+][C@@H]1CCCS(=O)(=O)CC1 ZINC000634953191 717134851 /nfs/dbraw/zinc/13/48/51/717134851.db2.gz UQDLLCVGEYCSNH-FXAWDEMLSA-N 2 0 364.555 3.118 20 0 FGADRP C[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1)c1ccc(S(C)(=O)=O)cc1 ZINC000635013612 717139527 /nfs/dbraw/zinc/13/95/27/717139527.db2.gz UHRINBAIDYHICD-GEALJGNFSA-N 2 0 364.555 3.094 20 0 FGADRP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000638432317 717447569 /nfs/dbraw/zinc/44/75/69/717447569.db2.gz YHLPOEVYWSBPHA-AWEZNQCLSA-N 2 0 358.448 3.461 20 0 FGADRP C[NH+](C)C[C@@H](NC(=O)CC[C@@H]1CC[NH2+]C1)c1ccc(Cl)c(Cl)c1 ZINC000638663066 717473427 /nfs/dbraw/zinc/47/34/27/717473427.db2.gz FEEXJPGWEVRLHS-MLGOLLRUSA-N 2 0 358.313 3.102 20 0 FGADRP CC[NH+]1CCC(CC[NH2+]Cc2snc(OC)c2Br)CC1 ZINC000638693483 717477095 /nfs/dbraw/zinc/47/70/95/717477095.db2.gz UGCLLPBJMUBJHT-UHFFFAOYSA-N 2 0 362.337 3.126 20 0 FGADRP Cc1nnsc1C[NH2+]CCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000638733870 717480809 /nfs/dbraw/zinc/48/08/09/717480809.db2.gz DXNOQPNKWSPDFW-UHFFFAOYSA-N 2 0 360.527 3.007 20 0 FGADRP CCO[C@@H](CC[NH+](C)C)C[NH2+]Cc1nc2cc(Br)ccc2o1 ZINC000638880095 717496479 /nfs/dbraw/zinc/49/64/79/717496479.db2.gz KMDIMEVFMYOLBE-ZDUSSCGKSA-N 2 0 370.291 3.037 20 0 FGADRP COc1cc2[nH+]ccc(N3CC[C@H]4CC[NH2+][C@@H]4C3)c2cc1Br ZINC000644181096 718091292 /nfs/dbraw/zinc/09/12/92/718091292.db2.gz DSMVECOUEAHYOO-IAQYHMDHSA-N 2 0 362.271 3.194 20 0 FGADRP C[C@H]([NH2+][C@@H]1CC[C@@](O)(C(F)(F)F)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000644549931 718122466 /nfs/dbraw/zinc/12/24/66/718122466.db2.gz BMHQLBWFNUFOOH-LXZKKBNFSA-N 2 0 360.420 3.124 20 0 FGADRP C[C@@H]([NH2+]CCC(=O)Nc1cccc(Br)c1)C1CC[NH+](C)CC1 ZINC000644563228 718125061 /nfs/dbraw/zinc/12/50/61/718125061.db2.gz VSZMDRAQSDBKJI-CYBMUJFWSA-N 2 0 368.319 3.098 20 0 FGADRP C[NH+]1CCC(N2CC[C@H]([NH2+][C@@H](Cc3ccccc3Cl)C3CC3)C2)CC1 ZINC000645409084 718208454 /nfs/dbraw/zinc/20/84/54/718208454.db2.gz VSFHYKXCELOVJZ-RXVVDRJESA-N 2 0 361.961 3.419 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)C1([NH3+])CCC1)c1ccc(C(F)(F)F)cc1 ZINC000645770238 718240368 /nfs/dbraw/zinc/24/03/68/718240368.db2.gz KZACWPIZVCBWKG-HNNXBMFYSA-N 2 0 357.420 3.086 20 0 FGADRP Oc1ccc(Br)c(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC000647543705 718366562 /nfs/dbraw/zinc/36/65/62/718366562.db2.gz RFHQPAKKRPHWAQ-KBPBESRZSA-N 2 0 353.304 3.366 20 0 FGADRP C[C@H](C[N@@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2)c1cccc(Br)c1 ZINC000647545459 718366925 /nfs/dbraw/zinc/36/69/25/718366925.db2.gz OZLQOMUNMJKXLP-GDBMZVCRSA-N 2 0 367.331 3.240 20 0 FGADRP Brc1cccc2[nH]cc(CC[NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@H]4C3)c21 ZINC000647798865 718378522 /nfs/dbraw/zinc/37/85/22/718378522.db2.gz YLFROMBPTAXLTO-BPLDGKMQSA-N 2 0 362.315 3.451 20 0 FGADRP Clc1cccc(-c2noc(CC[NH+]3CCC([C@H]4CC[NH2+]C4)CC3)n2)c1 ZINC000647970020 718390585 /nfs/dbraw/zinc/39/05/85/718390585.db2.gz SSFHMXGMRXWSQB-INIZCTEOSA-N 2 0 360.889 3.254 20 0 FGADRP [NH3+][C@@H](C(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1)c1cccc(Cl)c1 ZINC000649320319 718503748 /nfs/dbraw/zinc/50/37/48/718503748.db2.gz VBNSVKQSVDSJDY-QFBILLFUSA-N 2 0 363.933 3.454 20 0 FGADRP FC(F)(F)c1ccc(CN2CC[NH+](CC[C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC000649411406 718512606 /nfs/dbraw/zinc/51/26/06/718512606.db2.gz UFVNYYJOKIHTMH-INIZCTEOSA-N 2 0 355.448 3.213 20 0 FGADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@H+](Cc3cc(Br)ccc3F)C2)C1 ZINC000650705823 718716975 /nfs/dbraw/zinc/71/69/75/718716975.db2.gz XIOZUIBIYSHPCV-VMGRFDJRSA-N 2 0 371.294 3.307 20 0 FGADRP COc1ccc(C[N@@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)c(Cl)c1OC ZINC000650706342 718717124 /nfs/dbraw/zinc/71/71/24/718717124.db2.gz IZFNDOKZXDROJL-JLJPHGGASA-N 2 0 368.905 3.076 20 0 FGADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@H+](Cc3ccc(Br)s3)C2)C1 ZINC000650706374 718717163 /nfs/dbraw/zinc/71/71/63/718717163.db2.gz JMHHCIPJOLMINJ-SCRDCRAPSA-N 2 0 359.333 3.229 20 0 FGADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@H+](Cc3ccccc3OC(F)(F)F)C2)C1 ZINC000650707130 718717292 /nfs/dbraw/zinc/71/72/92/718717292.db2.gz YVCYYNYUYYRMHR-INMHGKMJSA-N 2 0 358.404 3.304 20 0 FGADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@H+](Cc3sccc3Br)C2)C1 ZINC000650707680 718717522 /nfs/dbraw/zinc/71/75/22/718717522.db2.gz KSUCRHQELMKLDU-BZPMIXESSA-N 2 0 359.333 3.229 20 0 FGADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@@H+]2Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000650721809 718719975 /nfs/dbraw/zinc/71/99/75/718719975.db2.gz CCFOERJEJSPDMO-DJIMGWMZSA-N 2 0 358.404 3.446 20 0 FGADRP COc1cc(C[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)cc(Cl)c1OC ZINC000650722591 718720774 /nfs/dbraw/zinc/72/07/74/718720774.db2.gz XMARWODZYYCWNU-UAGQMJEPSA-N 2 0 368.905 3.218 20 0 FGADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2Cc2ccc(OCC(F)F)cc2)C1 ZINC000650723793 718721132 /nfs/dbraw/zinc/72/11/32/718721132.db2.gz UDLFVGMWTCTLRW-NXHRZFHOSA-N 2 0 354.441 3.191 20 0 FGADRP COc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]CCC1CC[NH2+]CC1 ZINC000650763728 718725008 /nfs/dbraw/zinc/72/50/08/718725008.db2.gz IDROIEYVFFCELV-CYBMUJFWSA-N 2 0 353.894 3.045 20 0 FGADRP FC(F)(F)[C@H]1CCC2(CC[NH2+]CC2)N1c1ncccc1C[NH+]1CCCC1 ZINC001164413982 718881864 /nfs/dbraw/zinc/88/18/64/718881864.db2.gz PHFJUCVLNASNFC-MRXNPFEDSA-N 2 0 368.447 3.331 20 0 FGADRP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H](CC)c2cc(OC)c(OC)c(OC)c2)C1 ZINC000652143237 718916523 /nfs/dbraw/zinc/91/65/23/718916523.db2.gz SRSMCZBIZFEJKX-RDJZCZTQSA-N 2 0 350.503 3.485 20 0 FGADRP CC[C@@H]([NH2+]CC1(C)CC[NH+](C)CC1)c1cc(OC)c(OC)c(OC)c1 ZINC000652186267 718921398 /nfs/dbraw/zinc/92/13/98/718921398.db2.gz GFIJCGLQDFCGKT-MRXNPFEDSA-N 2 0 350.503 3.485 20 0 FGADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@H+](CCOc3ccc(F)cc3Cl)C2)C1 ZINC000652349449 718935166 /nfs/dbraw/zinc/93/51/66/718935166.db2.gz OYGLSVIDZIOCFS-JCKWVBRZSA-N 2 0 356.869 3.076 20 0 FGADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2CCC(=O)Nc2ccccc2Cl)C1 ZINC000652361767 718936751 /nfs/dbraw/zinc/93/67/51/718936751.db2.gz OVAOELYFLUCJNF-OLMNPRSZSA-N 2 0 365.905 3.029 20 0 FGADRP O=C(Nc1ccc(SCC[NH+]2CCCC2)cc1)[C@H]1CC12CC[NH2+]CC2 ZINC000653253066 719030496 /nfs/dbraw/zinc/03/04/96/719030496.db2.gz FUJZISWTKCCBAN-GOSISDBHSA-N 2 0 359.539 3.203 20 0 FGADRP CCC(CC)[C@H](CNC1CC[NH+](C[C@H]2CCCO2)CC1)[NH+]1CCCC1 ZINC000655687520 719325501 /nfs/dbraw/zinc/32/55/01/719325501.db2.gz ZBFKYNQPLBWMOA-RTWAWAEBSA-N 2 0 351.579 3.120 20 0 FGADRP C[C@@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655807484 719342404 /nfs/dbraw/zinc/34/24/04/719342404.db2.gz MKNVGMBPCAFURJ-HEHGZKQESA-N 2 0 357.420 3.352 20 0 FGADRP C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655807949 719342471 /nfs/dbraw/zinc/34/24/71/719342471.db2.gz XLYOJXFAAGQEKW-MELADBBJSA-N 2 0 357.420 3.352 20 0 FGADRP C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655806702 719342606 /nfs/dbraw/zinc/34/26/06/719342606.db2.gz ZOJQSVKAPHUPTR-IOASZLSFSA-N 2 0 368.319 3.096 20 0 FGADRP C[NH+](C)[C@@H](CNC(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1)c1cccs1 ZINC000656551351 719407725 /nfs/dbraw/zinc/40/77/25/719407725.db2.gz JPMIUHMDLYHVFJ-WBVHZDCISA-N 2 0 364.559 3.057 20 0 FGADRP Cc1nn2c(C[NH+]3CCC([C@@H]4CCC[NH2+]C4)CC3)c(C(C)C)nc2s1 ZINC000656787284 719470832 /nfs/dbraw/zinc/47/08/32/719470832.db2.gz WJJHZOJLHAGAFD-MRXNPFEDSA-N 2 0 361.559 3.434 20 0 FGADRP Cc1ncsc1-c1ccc(C[NH2+]CCCC[N@@H+]2CCC[C@H]2CO)cc1 ZINC000657356331 719632011 /nfs/dbraw/zinc/63/20/11/719632011.db2.gz KRULCIGXTSNWMO-IBGZPJMESA-N 2 0 359.539 3.445 20 0 FGADRP CC[C@H]1C[N@H+](CCC[NH+]2CCCCC2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000781903695 724609865 /nfs/dbraw/zinc/60/98/65/724609865.db2.gz HEWCMBNPTUCJKV-ZWKOTPCHSA-N 2 0 353.551 3.488 20 0 FGADRP CC[C@H]1C[N@H+](CCC[NH+]2CCCCC2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000781903694 724610177 /nfs/dbraw/zinc/61/01/77/724610177.db2.gz HEWCMBNPTUCJKV-ROUUACIJSA-N 2 0 353.551 3.488 20 0 FGADRP CC(C)[N@@H+](Cc1ccc(Br)cc1)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662251036 720405562 /nfs/dbraw/zinc/40/55/62/720405562.db2.gz WMWRUGRIOHXKAX-INIZCTEOSA-N 2 0 353.304 3.181 20 0 FGADRP COc1cccc(SCC[NH+]2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)c1 ZINC000662281056 720408904 /nfs/dbraw/zinc/40/89/04/720408904.db2.gz ICGCIRVDWSAYHJ-RTBURBONSA-N 2 0 350.528 3.006 20 0 FGADRP C[C@@H](NC(=O)C[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1)c1ccc(Cl)cc1 ZINC000662294214 720411120 /nfs/dbraw/zinc/41/11/20/720411120.db2.gz CBBSOAQLHJLIQN-QAPCUYQASA-N 2 0 363.933 3.229 20 0 FGADRP C[C@H](NC(=O)C[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1)c1ccccc1Cl ZINC000662297892 720412104 /nfs/dbraw/zinc/41/21/04/720412104.db2.gz SSOYQDALPAZTEF-RDJZCZTQSA-N 2 0 363.933 3.229 20 0 FGADRP C[C@@H]1CCC[N@H+](CC(=O)Nc2ccccc2C(F)(F)F)[C@@H]1CCC[NH3+] ZINC000662312986 720414043 /nfs/dbraw/zinc/41/40/43/720414043.db2.gz DNBUQUZORVFJEF-CZUORRHYSA-N 2 0 357.420 3.483 20 0 FGADRP C[NH+](C)[C@H](CNC(=O)c1ccc2c(c1)[C@@H](C[NH3+])CCC2)c1cccs1 ZINC000662347411 720417477 /nfs/dbraw/zinc/41/74/77/720417477.db2.gz FLFANFWHYCYJDT-SJLPKXTDSA-N 2 0 357.523 3.159 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)c1cc2c(s1)CC[NH2+]C2)c1ccccc1 ZINC000662347501 720417604 /nfs/dbraw/zinc/41/76/04/720417604.db2.gz GJXFTHCXNLZRKY-QGZVFWFLSA-N 2 0 357.523 3.207 20 0 FGADRP C[N@@H+]1CCC[C@H](CNC(=O)c2cccc3c2C[NH2+]C3)[C@@H]1c1cccs1 ZINC000662474069 720432341 /nfs/dbraw/zinc/43/23/41/720432341.db2.gz RYWNGVVWLARIPY-DNVCBOLYSA-N 2 0 355.507 3.164 20 0 FGADRP C[NH+](C)C[C@@H](NC(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C)c1ccc(Cl)cc1 ZINC000665357533 720759031 /nfs/dbraw/zinc/75/90/31/720759031.db2.gz OZOMCEFURXGWGQ-DLBZAZTESA-N 2 0 366.937 3.115 20 0 FGADRP CCCC[N@H+](C)CC1CCN(C(=O)NC[C@@H]2CC[NH+]2C(C)(C)C)CC1 ZINC000665366969 720760840 /nfs/dbraw/zinc/76/08/40/720760840.db2.gz MLFNTKHLUKIDRF-SFHVURJKSA-N 2 0 352.567 3.013 20 0 FGADRP Cc1ncsc1-c1ccc(C[N@@H+]2CCOC3(CC[NH+](C)CC3)C2)cc1 ZINC000668277532 721271571 /nfs/dbraw/zinc/27/15/71/721271571.db2.gz JQGUNWBXSCMPBL-UHFFFAOYSA-N 2 0 357.523 3.415 20 0 FGADRP CCC[N@H+](C)[C@H](CNC(=O)N[C@H]1CCC[NH+](C)C1)c1ccc(Cl)cc1 ZINC000672454649 721634209 /nfs/dbraw/zinc/63/42/09/721634209.db2.gz QYCIDCKSTLQFSB-ZWKOTPCHSA-N 2 0 366.937 3.116 20 0 FGADRP C[C@@H](C(=O)N(CC[NH+]1CCCC1)Cc1ccc(Cl)c(Cl)c1)[NH+](C)C ZINC000674263812 721685541 /nfs/dbraw/zinc/68/55/41/721685541.db2.gz OPZCAWGCGSHECR-AWEZNQCLSA-N 2 0 372.340 3.368 20 0 FGADRP C[NH+](C)CCOc1ccc(C[NH2+][C@H]2CCOC3(CCSCC3)C2)cc1 ZINC000676356194 721797414 /nfs/dbraw/zinc/79/74/14/721797414.db2.gz KWBIAHYIIRAQBT-SFHVURJKSA-N 2 0 364.555 3.161 20 0 FGADRP CCC[N@@H+]1CCCC[C@H]1c1ccc(N2CC[NH+](C[C@H]3CCCO3)CC2)nc1 ZINC001165041629 721924615 /nfs/dbraw/zinc/92/46/15/721924615.db2.gz AKTIASNUAHLVBE-RTWAWAEBSA-N 2 0 372.557 3.320 20 0 FGADRP C[C@@H](C[NH2+]Cc1c(Cl)cccc1N1CC[NH+](C)CC1)c1ccncc1 ZINC000678360343 721954702 /nfs/dbraw/zinc/95/47/02/721954702.db2.gz FBEMXRGXRGJAIW-INIZCTEOSA-N 2 0 358.917 3.380 20 0 FGADRP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]CC2(CO)CCCCC2)CC1 ZINC000678360642 721954744 /nfs/dbraw/zinc/95/47/44/721954744.db2.gz KOQFPPZSLPKAQH-UHFFFAOYSA-N 2 0 365.949 3.124 20 0 FGADRP CN(Cc1sccc1Br)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000678719900 721973614 /nfs/dbraw/zinc/97/36/14/721973614.db2.gz QXKKBMSNHAPJOI-AWEZNQCLSA-N 2 0 372.376 3.111 20 0 FGADRP c1cc(OCC[NH+]2CCCC2)nc(N2CCCC[C@@H]2CC[NH+]2CCCC2)c1 ZINC001165049823 721974264 /nfs/dbraw/zinc/97/42/64/721974264.db2.gz SAQCDAIKEXHLBY-HXUWFJFHSA-N 2 0 372.557 3.401 20 0 FGADRP C[N@H+](Cc1cccc(Br)c1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000679318814 722022418 /nfs/dbraw/zinc/02/24/18/722022418.db2.gz DOFQHCBGVAZQNV-SFHVURJKSA-N 2 0 366.347 3.049 20 0 FGADRP Brc1ccc(OCC[NH+]2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000679435363 722027439 /nfs/dbraw/zinc/02/74/39/722027439.db2.gz HZLMVGKJTFUQCH-UHFFFAOYSA-N 2 0 362.271 3.045 20 0 FGADRP FC(F)C(F)(F)COCC[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000682518603 722253174 /nfs/dbraw/zinc/25/31/74/722253174.db2.gz NUKAUHUFDIMYHT-UHFFFAOYSA-N 2 0 354.432 3.491 20 0 FGADRP Cc1nc2ccc(C[N@@H+](C)[C@H]3CCN(C4CC[NH+](C)CC4)C3)cc2s1 ZINC000685457356 722385917 /nfs/dbraw/zinc/38/59/17/722385917.db2.gz BFIJZDWHYCKMGQ-SFHVURJKSA-N 2 0 358.555 3.205 20 0 FGADRP CC(C)[NH+]1CCC([NH2+][C@H]2C[C@H]3C[C@@H](C2)N(C(=O)OC(C)(C)C)C3)CC1 ZINC000707913198 722412438 /nfs/dbraw/zinc/41/24/38/722412438.db2.gz OHJBZKYTNGBSFB-SZMVWBNQSA-N 2 0 351.535 3.237 20 0 FGADRP C[N@H+](Cc1cc2c(s1)CC[NH2+]C2)C1CCN(Cc2ccccc2)CC1 ZINC000710966562 722413668 /nfs/dbraw/zinc/41/36/68/722413668.db2.gz XURWGXDOUQLPEU-UHFFFAOYSA-N 2 0 355.551 3.490 20 0 FGADRP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+][C@@H]2C[C@H]3C[C@@H](C2)N(C(=O)OC(C)(C)C)C3)C1 ZINC000715543009 722415908 /nfs/dbraw/zinc/41/59/08/722415908.db2.gz NGJWOAVOGSURBM-TZNCUMHOSA-N 2 0 351.535 3.237 20 0 FGADRP C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CC[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000721140151 722419686 /nfs/dbraw/zinc/41/96/86/722419686.db2.gz OOURFCFUTSIVBM-ZJPYXAASSA-N 2 0 351.535 3.096 20 0 FGADRP CC[N@H+](CCNC(=O)NC1CC[NH+](CC2CCCCC2)CC1)C(C)C ZINC000726709116 722437291 /nfs/dbraw/zinc/43/72/91/722437291.db2.gz PAYCMMQUEUPBHN-UHFFFAOYSA-N 2 0 352.567 3.061 20 0 FGADRP C[C@H](CNC(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)C)[NH+]1CCCCC1 ZINC000746758395 722617452 /nfs/dbraw/zinc/61/74/52/722617452.db2.gz VUOIKGXFOQTAOX-CRAIPNDOSA-N 2 0 366.937 3.116 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=S)Nc1ccc(Cl)cc1 ZINC000751009916 722790658 /nfs/dbraw/zinc/79/06/58/722790658.db2.gz DVZWHMFSWRCKKR-KRWDZBQOSA-N 2 0 368.978 3.385 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=S)Nc1cccc(C)c1C ZINC000751011984 722790663 /nfs/dbraw/zinc/79/06/63/722790663.db2.gz QOQBBOZNOUZANO-SFHVURJKSA-N 2 0 362.587 3.348 20 0 FGADRP COc1ccc([C@@H](C)[NH2+][C@H](CO)CC(F)F)cc1C[NH+]1CCCCC1 ZINC000760036226 723034495 /nfs/dbraw/zinc/03/44/95/723034495.db2.gz DKSZDSOCOXIZNG-PBHICJAKSA-N 2 0 356.457 3.348 20 0 FGADRP C[NH+](C)CC1(C[NH2+][C@@H]2CCC[C@H]2CNC(=O)OC(C)(C)C)CCCC1 ZINC000760898415 723102998 /nfs/dbraw/zinc/10/29/98/723102998.db2.gz SHEJGMOKHMYPOK-DLBZAZTESA-N 2 0 353.551 3.391 20 0 FGADRP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CC[C@H]2[C@@H](CCN2C(=O)OC(C)(C)C)C1 ZINC000795102519 723563189 /nfs/dbraw/zinc/56/31/89/723563189.db2.gz URXVTQAOUMFKCM-KSZLIROESA-N 2 0 351.535 3.192 20 0 FGADRP C[N@@H+]1CC[C@H]([NH2+]CC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)[C@H]2CCC[C@@H]21 ZINC000796753241 723653431 /nfs/dbraw/zinc/65/34/31/723653431.db2.gz CZINIIOWZWITGU-BDXSIMOUSA-N 2 0 351.535 3.096 20 0 FGADRP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@H](NC(=O)OC(C)(C)C)C2)[C@H]2CCC[C@H]21 ZINC000796959041 723661276 /nfs/dbraw/zinc/66/12/76/723661276.db2.gz LKEHEEBRYNTNRD-MDMSPXHWSA-N 2 0 351.535 3.285 20 0 FGADRP CC(C)(C)OC(=O)N1CCC[C@@H]([NH2+]CC2CC[NH+](C3CC3)CC2)CC1 ZINC000774496549 723900010 /nfs/dbraw/zinc/90/00/10/723900010.db2.gz MCYUWGPEHWULIZ-QGZVFWFLSA-N 2 0 351.535 3.240 20 0 FGADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@]2(C)CCN(C(=O)OC(C)(C)C)C2)C[C@H]1C ZINC000798943775 723977614 /nfs/dbraw/zinc/97/76/14/723977614.db2.gz BDNFKYBFGFZKCI-FUHIMQAGSA-N 2 0 353.551 3.438 20 0 FGADRP C[NH+](C)CC1CCC([NH2+]C[C@@]2(C)CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000798951409 723978336 /nfs/dbraw/zinc/97/83/36/723978336.db2.gz UYARWMPSDFLVAC-LBXVMSDZSA-N 2 0 353.551 3.344 20 0 FGADRP CC[NH+](CC)Cc1ccc(C[NH2+]Cc2cc(Br)nn2C)cc1 ZINC000785412083 724911144 /nfs/dbraw/zinc/91/11/44/724911144.db2.gz ARTHTEUORKHALB-UHFFFAOYSA-N 2 0 365.319 3.314 20 0 FGADRP CC(C)[NH+]1CCC([NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)CC[C@@H]2C)CC1 ZINC000788651848 725078691 /nfs/dbraw/zinc/07/86/91/725078691.db2.gz NCJGYKNVIFWXCL-FUHWJXTLSA-N 2 0 353.551 3.484 20 0 FGADRP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)C2CN(C(=O)OC(C)(C)C)C2)C1 ZINC000788671633 725080154 /nfs/dbraw/zinc/08/01/54/725080154.db2.gz MYSPBFHUYYLDSY-IRXDYDNUSA-N 2 0 353.551 3.199 20 0 FGADRP COCc1cc([C@@H](C)[NH2+]CC2(SC)CC[NH+](C)CC2)ccc1OC ZINC000810251907 725299794 /nfs/dbraw/zinc/29/97/94/725299794.db2.gz BNSUMCWRENZDON-OAHLLOKOSA-N 2 0 352.544 3.320 20 0 FGADRP CC(C)C[C@H](C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C)NC(=O)OC(C)(C)C ZINC000811506046 725370404 /nfs/dbraw/zinc/37/04/04/725370404.db2.gz MLAMOQWBOGNNHY-HRBLRVMOSA-N 2 0 353.551 3.483 20 0 FGADRP C[C@H](OC[C@@H](O)C[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2)c1ccc(Cl)cc1 ZINC000815145591 727044885 /nfs/dbraw/zinc/04/48/85/727044885.db2.gz ZHFFFTWJRXBPPU-FFZOFVMBSA-N 2 0 366.933 3.196 20 0 FGADRP C[N@@H+]1CCC[C@]2(CC[NH+](C[C@@]3(C)CCN(C(=O)OC(C)(C)C)C3)C2)C1 ZINC000816641943 727184145 /nfs/dbraw/zinc/18/41/45/727184145.db2.gz KJEIJDNIQKGITC-UXHICEINSA-N 2 0 351.535 3.051 20 0 FGADRP C[C@H]([NH2+]C1CCC([NH+](C)C)CC1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000817585222 727268345 /nfs/dbraw/zinc/26/83/45/727268345.db2.gz CSPZGSNDYLGTOD-GRTSSRMGSA-N 2 0 360.470 3.206 20 0 FGADRP O[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)c1ccc(OC(F)(F)F)cc1 ZINC000817900260 727287527 /nfs/dbraw/zinc/28/75/27/727287527.db2.gz LSNCUOIZYRWXOT-YYIAUSFCSA-N 2 0 358.404 3.129 20 0 FGADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@H](C)c1cccc(NS(C)(=O)=O)c1 ZINC000817906832 727287724 /nfs/dbraw/zinc/28/77/24/727287724.db2.gz IHLOVOOGENGNIG-BFYDXBDKSA-N 2 0 353.532 3.020 20 0 FGADRP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@@H]2[NH2+][C@@H]1CC[C@@H]2SCCS[C@H]12 ZINC000817917150 727287794 /nfs/dbraw/zinc/28/77/94/727287794.db2.gz NYUISXMJOICKPD-UWAKZDDMSA-N 2 0 362.564 3.212 20 0 FGADRP O[C@@H](C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)c1cccc(Br)c1 ZINC000817929605 727288009 /nfs/dbraw/zinc/28/80/09/727288009.db2.gz IRYOYQPKXHZISM-TVFCKZIOSA-N 2 0 367.331 3.383 20 0 FGADRP O[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1)c1cccc(Br)c1 ZINC000817929069 727288062 /nfs/dbraw/zinc/28/80/62/727288062.db2.gz IRYOYQPKXHZISM-WNRNVDISSA-N 2 0 367.331 3.383 20 0 FGADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]C[C@H](O)c2ccccc2Br)C1 ZINC000818984270 727334570 /nfs/dbraw/zinc/33/45/70/727334570.db2.gz CLMBMUQCPQQITE-YOEHRIQHSA-N 2 0 355.320 3.193 20 0 FGADRP C[NH+](C)CC1CCC([NH2+]C[C@@H](O)c2ccc(F)c(Br)c2)CC1 ZINC000819186314 727355947 /nfs/dbraw/zinc/35/59/47/727355947.db2.gz XXUZMTGZCXZLKZ-MKTAYPAQSA-N 2 0 373.310 3.332 20 0 FGADRP C[C@H]([NH2+]C[C@@](C)(O)c1ccc(Br)cc1F)C1=CC[N@H+](C)CC1 ZINC000819220384 727359338 /nfs/dbraw/zinc/35/93/38/727359338.db2.gz NKUYDHSQIXIJQN-YVEFUNNKSA-N 2 0 371.294 3.036 20 0 FGADRP C[C@@H](CC[NH2+]C[C@H](O)c1ccccc1Br)[NH+]1CCCCC1 ZINC000819231452 727360138 /nfs/dbraw/zinc/36/01/38/727360138.db2.gz WRAVUATYIJRLIE-YOEHRIQHSA-N 2 0 355.320 3.337 20 0 FGADRP CC(C)(C)CC(C)(C)[NH+]1CCC(NCCS(=O)(=O)CC2CC2)CC1 ZINC000824017857 729316261 /nfs/dbraw/zinc/31/62/61/729316261.db2.gz JPUVOMKEUWPJRD-UHFFFAOYSA-N 2 0 358.592 3.080 20 0 FGADRP CC(C)(C)OC(=O)N1CCC[C@@H]1CCC[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000824993114 729367180 /nfs/dbraw/zinc/36/71/80/729367180.db2.gz NUEOFTYUUZFXDX-FGTMMUONSA-N 2 0 351.535 3.383 20 0 FGADRP Cc1cc([C@@H]([NH3+])CC(=O)NCCCC[NH+]2CCC(C)CC2)cc(Cl)n1 ZINC000827114545 729424652 /nfs/dbraw/zinc/42/46/52/729424652.db2.gz MAKRELWRDLCXCH-KRWDZBQOSA-N 2 0 366.937 3.062 20 0 FGADRP CC1CC[NH+]([C@H](CNC(=O)NCCCCCC[NH3+])c2cccs2)CC1 ZINC000831094922 729617313 /nfs/dbraw/zinc/61/73/13/729617313.db2.gz QWXOYGMVWRPPBT-QGZVFWFLSA-N 2 0 366.575 3.339 20 0 FGADRP C[C@H]([NH2+]C1CC([NH+]2CCCCC2)C1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000834789619 729834645 /nfs/dbraw/zinc/83/46/45/729834645.db2.gz GGNJJKSCMWJWHE-FCCDEINASA-N 2 0 351.535 3.381 20 0 FGADRP [NH3+]C[C@H]1CC[C@H](C[NH2+]Cc2ccccc2I)CC1 ZINC000841078118 730208408 /nfs/dbraw/zinc/20/84/08/730208408.db2.gz CZQPYJRZNDDYLA-JOCQHMNTSA-N 2 0 358.267 3.146 20 0 FGADRP Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C[NH2+][C@@H]1CC[C@H](C[NH3+])C1 ZINC000841084186 730208943 /nfs/dbraw/zinc/20/89/43/730208943.db2.gz ILNUCHRRNOWCHG-GOEBONIOSA-N 2 0 350.869 3.249 20 0 FGADRP CC(=O)N(c1nc(C[NH2+]C2CCC([NH3+])CC2)cs1)c1ccc(F)cc1 ZINC000843104474 730585337 /nfs/dbraw/zinc/58/53/37/730585337.db2.gz KKJNJNMZQVTPLA-UHFFFAOYSA-N 2 0 362.474 3.326 20 0 FGADRP CCC[NH+]1CCN(c2ccc(NC(=O)C3([NH3+])CCCC3)cc2Cl)CC1 ZINC000844191585 730691246 /nfs/dbraw/zinc/69/12/46/730691246.db2.gz YACCPHPSOZJCKD-UHFFFAOYSA-N 2 0 364.921 3.082 20 0 FGADRP [NH3+]C[C@@H]1CCCN(C(=O)Nc2ccc(SCC[NH+]3CCCC3)cc2)C1 ZINC000846312542 730946100 /nfs/dbraw/zinc/94/61/00/730946100.db2.gz JIBMTVUXLRQPCL-INIZCTEOSA-N 2 0 362.543 3.077 20 0 FGADRP O[C@H]1CC[N@H+](Cc2ccc(C[NH2+]C3CCC(C(F)(F)F)CC3)cc2)C1 ZINC000850509442 731366461 /nfs/dbraw/zinc/36/64/61/731366461.db2.gz QDWGVFYNWKRZEI-ABHNRTSZSA-N 2 0 356.432 3.464 20 0 FGADRP CCOC(=O)C(F)(F)[C@@H]1CC[C@@H]([NH2+]CC2CC[NH+](CC3CC3)CC2)C1 ZINC000850580756 731375953 /nfs/dbraw/zinc/37/59/53/731375953.db2.gz AWWBMMDSLCYIRO-IAGOWNOFSA-N 2 0 358.473 3.065 20 0 FGADRP O[C@@H](C[NH2+]CC1CC[NH+](CC2CC2)CC1)c1ccccc1Br ZINC000853131221 731669129 /nfs/dbraw/zinc/66/91/29/731669129.db2.gz CIPRJDUYLVHZTK-SFHVURJKSA-N 2 0 367.331 3.194 20 0 FGADRP CC[C@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000858491476 732220093 /nfs/dbraw/zinc/22/00/93/732220093.db2.gz IRQHZLOKVRSARK-OKZBNKHCSA-N 2 0 353.551 3.486 20 0 FGADRP C[C@@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000858492101 732220305 /nfs/dbraw/zinc/22/03/05/732220305.db2.gz SZKMREOUBPMTTN-KURKYZTESA-N 2 0 353.551 3.486 20 0 FGADRP COC[C@]1(C)CC[NH+](CC[Si](C)(C)CC[N@H+]2CC[C@@](C)(COC)C2)C1 ZINC000859321290 732309747 /nfs/dbraw/zinc/30/97/47/732309747.db2.gz BDCGCYZDFKIDLX-WOJBJXKFSA-N 2 0 370.654 3.412 20 0 FGADRP CC(=O)C1CC[NH+](CC[Si](C)(C)CC[NH+]2CCC(C(C)=O)CC2)CC1 ZINC000859324495 732310357 /nfs/dbraw/zinc/31/03/57/732310357.db2.gz UDMBTHYYBCLHKC-UHFFFAOYSA-N 2 0 366.622 3.297 20 0 FGADRP Cc1nn(Cc2ccccc2Cl)c(Cl)c1C[NH2+]CCOCCC[NH3+] ZINC000863650502 732990485 /nfs/dbraw/zinc/99/04/85/732990485.db2.gz UHJAXGZUICMKKH-UHFFFAOYSA-N 2 0 371.312 3.002 20 0 FGADRP CC(C)[N@@H+]1CC[C@H](C[NH2+]C[C@@H](CC(F)(F)F)NC(=O)OC(C)(C)C)C1 ZINC000865436136 733201057 /nfs/dbraw/zinc/20/10/57/733201057.db2.gz UWKPLGWFYVZQEK-ZIAGYGMSSA-N 2 0 367.456 3.152 20 0 FGADRP CC[NH+]1CCC([NH2+]C[C@H]2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)CC1 ZINC000866549463 733365253 /nfs/dbraw/zinc/36/52/53/733365253.db2.gz PXBXDYUFMQQUHH-VBUUOAMHSA-N 2 0 351.535 3.238 20 0 FGADRP C[C@@H]([NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2)c1ccccc1Br ZINC000873289496 735746525 /nfs/dbraw/zinc/74/65/25/735746525.db2.gz ISSKEESKRHVWNB-KGLIPLIRSA-N 2 0 353.304 3.258 20 0 FGADRP COCCC[C@H]([NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2)c1ccc(F)cc1 ZINC000873293998 735747700 /nfs/dbraw/zinc/74/77/00/735747700.db2.gz SAZOSIODWLFRCA-MOPGFXCFSA-N 2 0 350.478 3.042 20 0 FGADRP Cc1cc([C@H]([NH3+])CC(=O)NCCC2CC[NH+](C(C)C)CC2)cc(Cl)n1 ZINC000877201429 736197684 /nfs/dbraw/zinc/19/76/84/736197684.db2.gz YCLXGZQGZZGNCB-QGZVFWFLSA-N 2 0 366.937 3.060 20 0 FGADRP [NH3+][C@H](C[C@@H]1CCCN(C(=O)c2cc3c(s2)CC[NH2+]C3)C1)C1CCCC1 ZINC000877443582 736219793 /nfs/dbraw/zinc/21/97/93/736219793.db2.gz DYPJJASRIJLBIU-WMLDXEAASA-N 2 0 361.555 3.154 20 0 FGADRP CN1CC[NH+](CCCC[NH2+]Cc2cc(Cl)cc(Br)c2)CC1 ZINC000892562274 740017596 /nfs/dbraw/zinc/01/75/96/740017596.db2.gz AIWJQKHXRHJOJA-UHFFFAOYSA-N 2 0 374.754 3.220 20 0 FGADRP CC(C)[NH+]1CCN(CCC[NH2+][C@@H](C)c2ccc(C(F)(F)F)nc2)CC1 ZINC000880102880 737120309 /nfs/dbraw/zinc/12/03/09/737120309.db2.gz GUFYKOIEQZPQSQ-HNNXBMFYSA-N 2 0 358.452 3.167 20 0 FGADRP CC[NH+](CC)Cc1cccc(C[NH2+]Cc2c3c(nn2C)CCSC3)c1 ZINC000882902057 737502697 /nfs/dbraw/zinc/50/26/97/737502697.db2.gz XNYYOZXWPGVJGW-UHFFFAOYSA-N 2 0 358.555 3.341 20 0 FGADRP c1csc(C[NH+]2CCC(C[NH2+][C@@H]3CCOC4(CCOCC4)C3)CC2)c1 ZINC000885955859 739202836 /nfs/dbraw/zinc/20/28/36/739202836.db2.gz CORJIWKNEXOFSR-GOSISDBHSA-N 2 0 364.555 3.278 20 0 FGADRP C[C@@H]1[C@H](C)OC[C@]12CC[C@@H](C[NH2+]C1CC[NH+](C3CCCCC3)CC1)O2 ZINC000886336100 739246280 /nfs/dbraw/zinc/24/62/80/739246280.db2.gz MNRMMPRETNTODT-SQBLYHGDSA-N 2 0 350.547 3.346 20 0 FGADRP c1ccc(C(C[NH+]2C[C@@H]3CSC[C@@H]3C2)C[N@@H+]2C[C@@H]3CSC[C@@H]3C2)cc1 ZINC000886571735 739271102 /nfs/dbraw/zinc/27/11/02/739271102.db2.gz GPHBGFQTYOODOQ-FXELSEDVSA-N 2 0 374.619 3.360 20 0 FGADRP Cc1csc(C[C@H]2CCC[N@@H+](CCCN3CC[NH+](C(C)C)CC3)C2)n1 ZINC000886692145 739285163 /nfs/dbraw/zinc/28/51/63/739285163.db2.gz SQZKRWXCPFPJOT-LJQANCHMSA-N 2 0 364.603 3.122 20 0 FGADRP C[C@@H]1C[C@@]2(CC[C@@H](C[NH2+]C3CC[NH+]([C@H]4CCC[C@@H](C)C4)CC3)O2)CO1 ZINC000886761966 739293847 /nfs/dbraw/zinc/29/38/47/739293847.db2.gz OFIVFKCPPNOIQA-XPSJOHQASA-N 2 0 350.547 3.346 20 0 FGADRP CC[NH+](CC)CC1CC[NH+](C[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC000891611106 739920726 /nfs/dbraw/zinc/92/07/26/739920726.db2.gz GGFAPZZMDUORJJ-HDICACEKSA-N 2 0 353.551 3.344 20 0 FGADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2cnc(CC(F)(F)F)s2)C1 ZINC000892142856 739969884 /nfs/dbraw/zinc/96/98/84/739969884.db2.gz FYMSBRDNAZFNSH-ZDUSSCGKSA-N 2 0 365.465 3.181 20 0 FGADRP CCC[NH+]1CCC([NH2+][C@@H]2CC[C@@H](C(=O)OCC)[C@H](C(F)(F)F)C2)CC1 ZINC000893324046 742141049 /nfs/dbraw/zinc/14/10/49/742141049.db2.gz NLMJPIIMRWJMBH-BZUAXINKSA-N 2 0 364.452 3.361 20 0 FGADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H](CC(F)F)NC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000894050853 742231868 /nfs/dbraw/zinc/23/18/68/742231868.db2.gz VAMTVIBATGAGTH-ZNMIVQPWSA-N 2 0 363.493 3.197 20 0 FGADRP CCN(Cc1nc(Br)c[nH]1)Cc1ccc(C[NH+](C)C)cc1 ZINC000894455721 742285953 /nfs/dbraw/zinc/28/59/53/742285953.db2.gz IQWUVHXBYPENPM-UHFFFAOYSA-N 2 0 351.292 3.256 20 0 FGADRP CC(C)C[N@@H+](Cc1c2c(nn1C)CCSC2)CC1CC[NH+](C)CC1 ZINC000895467387 742415574 /nfs/dbraw/zinc/41/55/74/742415574.db2.gz LJRZPHJBGIYMBR-UHFFFAOYSA-N 2 0 350.576 3.009 20 0 FGADRP CC[NH+]1CCC([NH2+]CC2(c3ccccc3)CC(O)(C(F)(F)F)C2)CC1 ZINC000898161375 742750795 /nfs/dbraw/zinc/75/07/95/742750795.db2.gz FKWLUZMGLGJYER-UHFFFAOYSA-N 2 0 356.432 3.086 20 0 FGADRP COc1ccc(-c2nc(C[N@@H+]3C[C@@H](C)[C@H](CC[NH3+])C3)cs2)cc1OC ZINC000903500375 743856604 /nfs/dbraw/zinc/85/66/04/743856604.db2.gz ZNYUONKVTGFRQC-UKRRQHHQSA-N 2 0 361.511 3.244 20 0 FGADRP c1sc(C2CCCC2)nc1CN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000903508755 743857313 /nfs/dbraw/zinc/85/73/13/743857313.db2.gz UINJQRXNHPYFMY-KDURUIRLSA-N 2 0 360.571 3.201 20 0 FGADRP C[C@H]([NH3+])c1nc(-c2nc(-c3cccc(C[NH+]4CCCC4)c3)no2)cs1 ZINC000904576335 743962997 /nfs/dbraw/zinc/96/29/97/743962997.db2.gz JTJTVVHOYUCSIZ-LBPRGKRZSA-N 2 0 355.467 3.476 20 0 FGADRP Cc1ccc(Cl)cc1NC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000905295717 744010388 /nfs/dbraw/zinc/01/03/88/744010388.db2.gz XHWFXHWBBHUXBK-CALCHBBNSA-N 2 0 362.905 3.081 20 0 FGADRP Cc1cc(C[NH+]2CC[C@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C(C)(C)C2)cs1 ZINC000940756950 762159538 /nfs/dbraw/zinc/15/95/38/762159538.db2.gz NNUOFPLKLHVQAE-NXHRZFHOSA-N 2 0 363.571 3.113 20 0 FGADRP Cc1nc(C[NH2+]CC2CC[NH+](CC3CC3)CC2)sc1Br ZINC000922269393 758883473 /nfs/dbraw/zinc/88/34/73/758883473.db2.gz XFEKISGLOFCUDA-UHFFFAOYSA-N 2 0 358.349 3.426 20 0 FGADRP CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3cnc(CC(C)C)s3)C2)[C@@H]1C(C)C ZINC000922393946 758913592 /nfs/dbraw/zinc/91/35/92/758913592.db2.gz NZUFPCJHLQTGJL-JYBIWHBTSA-N 2 0 365.587 3.301 20 0 FGADRP CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]Cc3ccc(SC)s3)C2)[C@@H]1C(C)C ZINC000922396088 758914770 /nfs/dbraw/zinc/91/47/70/758914770.db2.gz ZZBKMZARVNLMRB-XYVMCAHJSA-N 2 0 354.585 3.429 20 0 FGADRP O[C@@H](C[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1)c1ccc(Cl)cc1Cl ZINC000923408227 759113211 /nfs/dbraw/zinc/11/32/11/759113211.db2.gz BLWHRXYEPGTAEE-YJBOKZPZSA-N 2 0 373.324 3.117 20 0 FGADRP C[C@H]1C[N@H+](CC(=O)Nc2ccc(Cl)cc2C(F)(F)F)CC[C@@H]1C[NH3+] ZINC000923506438 759135315 /nfs/dbraw/zinc/13/53/15/759135315.db2.gz FMVLGJWSQDBIGT-WDEREUQCSA-N 2 0 363.811 3.214 20 0 FGADRP C[C@@H](NC1CC[NH+](C[C@H]2CCCO2)CC1)c1cccc(Br)n1 ZINC000925057945 759439639 /nfs/dbraw/zinc/43/96/39/759439639.db2.gz VXXVQXQUPJRTFS-UKRRQHHQSA-N 2 0 368.319 3.138 20 0 FGADRP C[NH+]1CCC(O)(C[NH2+][C@@H](Cc2ccc(F)cc2Cl)c2ccoc2)CC1 ZINC000925119160 759451378 /nfs/dbraw/zinc/45/13/78/759451378.db2.gz WJGGWIKJDUDQSP-SFHVURJKSA-N 2 0 366.864 3.402 20 0 FGADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H]1CCCc2ncc(Br)cc21 ZINC000925241796 759467280 /nfs/dbraw/zinc/46/72/80/759467280.db2.gz SLSKZSFSWAISPN-RHSMWYFYSA-N 2 0 370.335 3.168 20 0 FGADRP [NH3+]CCC[C@@H]([NH2+]CCS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1 ZINC000925590181 759510415 /nfs/dbraw/zinc/51/04/15/759510415.db2.gz NSMDCMVTLQOACX-GOSISDBHSA-N 2 0 366.914 3.184 20 0 FGADRP C[C@H]([NH3+])[C@@H](NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1)c1ccccc1 ZINC000925660768 759519988 /nfs/dbraw/zinc/51/99/88/759519988.db2.gz ANKXQHUYXBNWAK-RXOFBLNVSA-N 2 0 355.448 3.470 20 0 FGADRP C[C@@H]1[C@@H](N2CCc3sc(C[NH3+])nc3C2)CCC[N@@H+]1Cc1ccccc1 ZINC000925750890 759532221 /nfs/dbraw/zinc/53/22/21/759532221.db2.gz VZJSFCSZLHRFKO-QAPCUYQASA-N 2 0 356.539 3.013 20 0 FGADRP C[C@H]([NH2+]CCN1CCC([NH3+])CC1)c1cc2cc(Br)ccc2o1 ZINC000925809892 759548217 /nfs/dbraw/zinc/54/82/17/759548217.db2.gz BURJASJOKVJPDN-LBPRGKRZSA-N 2 0 366.303 3.269 20 0 FGADRP O=C1O[C@H](C[NH2+][C@H]2CCC[C@@H]2c2ccccc2Cl)CC12CC[NH2+]CC2 ZINC000925848706 759557301 /nfs/dbraw/zinc/55/73/01/759557301.db2.gz DEFJSFZEQDJARX-LESCRADOSA-N 2 0 362.901 3.251 20 0 FGADRP COC(=O)c1nc(C[NH2+][C@@H](C)c2cccc(C[NH+](C)C)c2)ccc1Cl ZINC000926693053 759803738 /nfs/dbraw/zinc/80/37/38/759803738.db2.gz QSQWDTXDOIWDSL-ZDUSSCGKSA-N 2 0 361.873 3.434 20 0 FGADRP CC(C)(C)OC(=O)NCC1CC([NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)C1 ZINC000926739400 759813621 /nfs/dbraw/zinc/81/36/21/759813621.db2.gz RFTHRRGIALDRNQ-WWDZGPRUSA-N 2 0 351.535 3.001 20 0 FGADRP CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+][C@H](C)c3cc(O)cc(F)c3)C2)[C@H]1C(C)C ZINC000926878168 759835763 /nfs/dbraw/zinc/83/57/63/759835763.db2.gz FFOMVZLJCLSJQS-OJRASUONSA-N 2 0 350.478 3.052 20 0 FGADRP CC1([NH+]2CCC2)CCC([NH2+][C@@H]2CCS(=O)(=O)c3ccc(F)cc32)CC1 ZINC000927036537 759879146 /nfs/dbraw/zinc/87/91/46/759879146.db2.gz CQOOPEVBDHXYNM-URSIVYNOSA-N 2 0 366.502 3.041 20 0 FGADRP CC[N@@H+]1CC[C@@H]([NH+](C)C[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)C2)C[C@@H]1C ZINC000929780130 760456630 /nfs/dbraw/zinc/45/66/30/760456630.db2.gz KWIIAYZBRGLAOJ-XWTMOSNGSA-N 2 0 353.551 3.484 20 0 FGADRP Cc1cc(C[NH2+]C[C@@H]2CCCCN2C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c(C)s1 ZINC000960007741 762731008 /nfs/dbraw/zinc/73/10/08/762731008.db2.gz GLPAMDBSXJJQRC-AYOQOUSVSA-N 2 0 363.571 3.176 20 0 FGADRP CC[C@@H]1[C@@H](C(=O)N(CC)[C@H]2CCC[NH+](C/C=C\Cl)CC2)CC[N@@H+]1C ZINC000998006644 765090885 /nfs/dbraw/zinc/09/08/85/765090885.db2.gz LKTUCIALAWZUAH-XNSDRUKKSA-N 2 0 355.954 3.172 20 0 FGADRP CC[C@@H]1[C@@H](C(=O)N(CC)[C@@H]2CCC[NH+](CCC(C)C)CC2)CC[N@@H+]1C ZINC000998007576 765091367 /nfs/dbraw/zinc/09/13/67/765091367.db2.gz PJJYWHOJMIIVRP-HSALFYBXSA-N 2 0 351.579 3.466 20 0 FGADRP CCC(CC)C[N@@H+]1CCC[C@H](N(CC)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC000998014911 765092009 /nfs/dbraw/zinc/09/20/09/765092009.db2.gz AIJGDMPPEPMPCI-YZGWKJHDSA-N 2 0 351.579 3.466 20 0 FGADRP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]([NH2+]Cc3ccccc3Cl)C2)CC[N@@H+]1C ZINC000999204295 765147200 /nfs/dbraw/zinc/14/72/00/765147200.db2.gz DWNOKKPFYSUXAH-JENIJYKNSA-N 2 0 363.933 3.151 20 0 FGADRP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCC[NH+](Cc3sccc3Cl)C2)CC[N@@H+]1C ZINC001023379266 766035524 /nfs/dbraw/zinc/03/55/24/766035524.db2.gz JLXBIOSEXRPEAG-QLFBSQMISA-N 2 0 369.962 3.070 20 0 FGADRP CC[C@@H]1[C@@H](C(=O)N2CC[C@H](C[NH2+]Cc3cccc(Cl)c3)C2)CC[N@@H+]1C ZINC001026855539 766083603 /nfs/dbraw/zinc/08/36/03/766083603.db2.gz ISZIRKGVKHMVQV-NZSAHSFTSA-N 2 0 363.933 3.008 20 0 FGADRP CC[C@@H]1[C@@H](C(=O)N[C@]2(C)CC[NH+](Cc3cccc(Cl)c3)C2)CC[N@@H+]1C ZINC001046330486 766585772 /nfs/dbraw/zinc/58/57/72/766585772.db2.gz LCLHSFYXIBZPTA-NLWGTHIKSA-N 2 0 363.933 3.151 20 0 FGADRP C[C@@H]1[C@H](C(=O)N[C@H]2CCC[NH+](Cc3ccccc3Cl)CC2)CC[N@@H+]1C ZINC001052393568 766899906 /nfs/dbraw/zinc/89/99/06/766899906.db2.gz OQCWAFAFHMILBU-BPQIPLTHSA-N 2 0 363.933 3.151 20 0 FGADRP C[NH+](C)CCN(Cc1cccs1)C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000176432873 257365411 /nfs/dbraw/zinc/36/54/11/257365411.db2.gz QVLRLIMEADZHPG-UHFFFAOYSA-N 2 0 366.575 3.084 20 0 FGADRP CC(=O)c1ccccc1NC(=O)CCC[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000573621758 505580358 /nfs/dbraw/zinc/58/03/58/505580358.db2.gz KLQMBQJBXWPCTR-UHFFFAOYSA-N 2 0 371.525 3.416 20 0 FGADRP O=C(CC[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1)Nc1cccc(F)c1 ZINC000570837524 505592242 /nfs/dbraw/zinc/59/22/42/505592242.db2.gz YHFHSSQDVSBETB-GOSISDBHSA-N 2 0 355.457 3.266 20 0 FGADRP O=C(CC[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1)Nc1cccc(F)c1 ZINC000570837525 505592291 /nfs/dbraw/zinc/59/22/91/505592291.db2.gz YHFHSSQDVSBETB-SFHVURJKSA-N 2 0 355.457 3.266 20 0 FGADRP CC(C)C[N@@H+]1CC[C@H](C[NH2+]C[C@@H](O)COc2cccc3ccccc32)C1 ZINC000579703237 505605498 /nfs/dbraw/zinc/60/54/98/505605498.db2.gz GVXMKVCFYYKHFR-UYAOXDASSA-N 2 0 356.510 3.147 20 0 FGADRP COc1cccc(C[C@@H]2CCC[N@@H+]2CCCN2CC[NH+](C(C)C)CC2)c1 ZINC000579735500 505610378 /nfs/dbraw/zinc/61/03/78/505610378.db2.gz BOTCFVMQEVPVPY-NRFANRHFSA-N 2 0 359.558 3.118 20 0 FGADRP COc1ccc(C[NH+]2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)c(Cl)c1OC ZINC000571027726 505636609 /nfs/dbraw/zinc/63/66/09/505636609.db2.gz HFJZILLXSMASGS-MAUKXSAKSA-N 2 0 368.905 3.076 20 0 FGADRP CC(C)[C@H](C(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1)[C@@H](C)[NH3+] ZINC000579948811 505651219 /nfs/dbraw/zinc/65/12/19/505651219.db2.gz ZYAOQBZMGCNRTG-BEFAXECRSA-N 2 0 365.949 3.288 20 0 FGADRP CC1(C)C[NH2+]CC[C@H]1NCC(=O)N[C@@H](c1ccc(F)cc1)C1CCCC1 ZINC000577086713 505661667 /nfs/dbraw/zinc/66/16/67/505661667.db2.gz AVBPKZYFVCNSNR-UYAOXDASSA-N 2 0 361.505 3.151 20 0 FGADRP COC(=O)c1cc(C[NH+]2CCC(C[N@H+](C)Cc3ccccc3)CC2)cn1C ZINC000577120129 505668239 /nfs/dbraw/zinc/66/82/39/505668239.db2.gz YOIUBZDMAJWWLH-UHFFFAOYSA-N 2 0 369.509 3.156 20 0 FGADRP C[NH+](C)CCCOc1cnccc1C[NH2+][C@@H]1CS[C@H](C(C)(C)C)C1 ZINC000577146969 505673251 /nfs/dbraw/zinc/67/32/51/505673251.db2.gz VEPMEMXEBUXDIG-WMZOPIPTSA-N 2 0 351.560 3.422 20 0 FGADRP Clc1cccc(-n2cc(C[NH2+][C@@H]3C[C@H]3C3CC[NH2+]CC3)nn2)c1Cl ZINC000574021494 505675509 /nfs/dbraw/zinc/67/55/09/505675509.db2.gz VCPWESRGJKHDIH-DZGCQCFKSA-N 2 0 366.296 3.052 20 0 FGADRP Cc1ccc([C@H](CNC(=O)N2CCC[N@@H+](C(C)(C)C)CC2)[NH+](C)C)cc1 ZINC000057631020 493780168 /nfs/dbraw/zinc/78/01/68/493780168.db2.gz RNNHVTHAMQDZPC-IBGZPJMESA-N 2 0 360.546 3.114 20 0 FGADRP Fc1cccc(C[NH2+]CCCN2CC[NH+](Cc3ccccc3)CC2)c1F ZINC000058179002 493830297 /nfs/dbraw/zinc/83/02/97/493830297.db2.gz MGXLZQHBZZDVCB-UHFFFAOYSA-N 2 0 359.464 3.262 20 0 FGADRP CC[N@@H+]1CC[C@H]([NH+](C)CCCCCn2nnc(-c3ccccc3)n2)[C@H](C)C1 ZINC000081095929 493831635 /nfs/dbraw/zinc/83/16/35/493831635.db2.gz OSIHHLKGPFCWEK-QUCCMNQESA-N 2 0 370.545 3.173 20 0 FGADRP Cc1ccccc1-c1cnc(C[NH+]2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)o1 ZINC000574088883 505691345 /nfs/dbraw/zinc/69/13/45/505691345.db2.gz JQRDLKKBCPHSNB-MJGOQNOKSA-N 2 0 355.482 3.368 20 0 FGADRP CCCC[N@H+](C)CC1CC[NH+](CCC(=O)NC(=O)Nc2ccccc2)CC1 ZINC000076776490 493968099 /nfs/dbraw/zinc/96/80/99/493968099.db2.gz QZYXXLLRLZMXQW-UHFFFAOYSA-N 2 0 374.529 3.169 20 0 FGADRP CC(C)(C)[N@@H+]1CCCN(C(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)CC1 ZINC000069620542 493989295 /nfs/dbraw/zinc/98/92/95/493989295.db2.gz GBYWURLCWFDMMO-HXUWFJFHSA-N 2 0 372.557 3.339 20 0 FGADRP FC(F)(F)Oc1ccc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)cc1 ZINC000051957214 493994026 /nfs/dbraw/zinc/99/40/26/493994026.db2.gz QTQJZOALVQGNOF-UHFFFAOYSA-N 2 0 358.404 3.129 20 0 FGADRP O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000069724962 494003120 /nfs/dbraw/zinc/00/31/20/494003120.db2.gz FKOAMBRQEJEQRV-OALUTQOASA-N 2 0 374.529 3.076 20 0 FGADRP CCCC[N@H+](C)CC1CC[NH+](CC(=O)N(CC)Cc2ccccc2)CC1 ZINC000052208947 494012066 /nfs/dbraw/zinc/01/20/66/494012066.db2.gz YBQXBAITPHTWLU-UHFFFAOYSA-N 2 0 359.558 3.479 20 0 FGADRP C[C@@H](CC[NH+](C)C)NC(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000062505753 494014852 /nfs/dbraw/zinc/01/48/52/494014852.db2.gz AUOQBHJRGCXOPA-MSOLQXFVSA-N 2 0 360.546 3.058 20 0 FGADRP COc1ccc(-c2nc(C[NH+]3CCC([C@@H]4C[C@H]([NH3+])CCO4)CC3)co2)cc1 ZINC000580174880 505695426 /nfs/dbraw/zinc/69/54/26/505695426.db2.gz SZYIMEQSWVHCHZ-XLIONFOSSA-N 2 0 371.481 3.069 20 0 FGADRP C[C@@H]1C[NH+](CCCC[NH2+]Cc2cnc(-c3ccccn3)s2)C[C@@H](C)O1 ZINC000084656586 494090358 /nfs/dbraw/zinc/09/03/58/494090358.db2.gz FHMQUKZAUCFKCY-HZPDHXFCSA-N 2 0 360.527 3.184 20 0 FGADRP CC(C)c1ccc([C@@H]([NH3+])CNC(=O)N2CCc3ccccc3[C@H]2C[NH3+])cc1 ZINC000580190933 505699787 /nfs/dbraw/zinc/69/97/87/505699787.db2.gz BILGDBLFFCYJNU-LEWJYISDSA-N 2 0 366.509 3.078 20 0 FGADRP CC[N@H+](C)Cc1cccc(CNC(=O)N2CCC([NH+]3CCCCC3)CC2)c1 ZINC000064229623 494106972 /nfs/dbraw/zinc/10/69/72/494106972.db2.gz JMABXPMBQMPYPA-UHFFFAOYSA-N 2 0 372.557 3.298 20 0 FGADRP CC1CCC([NH+]2CCC(NC(=O)N(C)[C@H]3CC[N@H+](C)C[C@@H]3C)CC2)CC1 ZINC000085402632 494121702 /nfs/dbraw/zinc/12/17/02/494121702.db2.gz DATUZIIKXQTYMO-RZMNMVRNSA-N 2 0 364.578 3.011 20 0 FGADRP CC[NH+]1CCN(CCC[NH2+]C/C(C)=C/c2ccccc2OC(F)F)CC1 ZINC000571335078 505709074 /nfs/dbraw/zinc/70/90/74/505709074.db2.gz XRDXXBWPPHIVGQ-BMRADRMJSA-N 2 0 367.484 3.309 20 0 FGADRP CC(CC[NH+]1CCCC[C@@H]1C1(O)CC1)CC[N@@H+]1CCCC[C@@H]1C1(O)CC1 ZINC000568484291 505706156 /nfs/dbraw/zinc/70/61/56/505706156.db2.gz GPZHYRMEKSFDPB-WOJBJXKFSA-N 2 0 364.574 3.162 20 0 FGADRP C[C@@H](CNC(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+]1CCCC[C@@H]1C ZINC000042929579 494252625 /nfs/dbraw/zinc/25/26/25/494252625.db2.gz FDIQVKXFAFQRPM-OALUTQOASA-N 2 0 372.557 3.213 20 0 FGADRP O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)N1CCC([NH+]2CCCCC2)CC1 ZINC000043166990 494273147 /nfs/dbraw/zinc/27/31/47/494273147.db2.gz YZQBLUDYLNNCSD-IBGZPJMESA-N 2 0 374.529 3.076 20 0 FGADRP CCC[NH+]1CCC(N(C)C(=O)NCC(C)(C)[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000066187965 494286061 /nfs/dbraw/zinc/28/60/61/494286061.db2.gz RAOVEMBGTNTGQY-ROUUACIJSA-N 2 0 366.594 3.259 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)NC1CC[NH+](C)CC1)c1ccccc1Cl ZINC000078511406 494311663 /nfs/dbraw/zinc/31/16/63/494311663.db2.gz GANLJOJEBCYEDQ-SFHVURJKSA-N 2 0 366.937 3.116 20 0 FGADRP CC(C)[C@H](CNC(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1)[NH+]1CCCCCC1 ZINC000078524443 494313272 /nfs/dbraw/zinc/31/32/72/494313272.db2.gz RLEMMDVULOKAFP-UXHICEINSA-N 2 0 366.594 3.307 20 0 FGADRP CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+]C2CC[NH+](C(C)(C)C)CC2)cc1 ZINC000089512921 494318611 /nfs/dbraw/zinc/31/86/11/494318611.db2.gz OIFIUISEAKJUJI-HNNXBMFYSA-N 2 0 367.559 3.362 20 0 FGADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)N(C)C1CC[NH+](CCC)CC1 ZINC000066704722 494389311 /nfs/dbraw/zinc/38/93/11/494389311.db2.gz IDYSFSZCAVSQOY-LJQANCHMSA-N 2 0 352.567 3.157 20 0 FGADRP CCC(CC)[C@H](CNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)[NH+]1CCCC1 ZINC000073594699 494396071 /nfs/dbraw/zinc/39/60/71/494396071.db2.gz JASZDDXIUKDNRP-NXEWRWPSSA-N 2 0 364.578 3.202 20 0 FGADRP CCC[NH+]1CCC(NC(=O)NC[C@H](C(CC)CC)[NH+]2CCCC2)CC1 ZINC000073594604 494396269 /nfs/dbraw/zinc/39/62/69/494396269.db2.gz FZQXYIYELXKWCF-LJQANCHMSA-N 2 0 352.567 3.061 20 0 FGADRP O=C(C[N@@H+]1CCCC[C@@H]1CCc1ccccc1)NC1CC[NH+](C2CC2)CC1 ZINC000090010415 494428445 /nfs/dbraw/zinc/42/84/45/494428445.db2.gz LGURPENOALJBOO-OAQYLSRUSA-N 2 0 369.553 3.217 20 0 FGADRP CC[C@H](NC(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@@H+]1CC)c1cccs1 ZINC000073795127 494430549 /nfs/dbraw/zinc/43/05/49/494430549.db2.gz IPAVSIAYXVNTDI-IRXDYDNUSA-N 2 0 366.575 3.257 20 0 FGADRP CCOc1ccc([C@H](C)[NH2+]Cc2ccc(C(=O)NCC[NH+](C)C)cc2)cc1 ZINC000090038665 494431249 /nfs/dbraw/zinc/43/12/49/494431249.db2.gz SDXZLIAFBWKAHM-KRWDZBQOSA-N 2 0 369.509 3.228 20 0 FGADRP CCCC[N@H+](C)CC1CC[NH+]([C@H](C)C(=O)NCc2cccs2)CC1 ZINC000066960890 494445694 /nfs/dbraw/zinc/44/56/94/494445694.db2.gz SQQPFMORHQBGCA-MRXNPFEDSA-N 2 0 351.560 3.197 20 0 FGADRP C[NH+](C)CCC1CC[NH+](C[C@@H](O)CO[C@H]2CCCc3ccccc32)CC1 ZINC000079492391 494465179 /nfs/dbraw/zinc/46/51/79/494465179.db2.gz HGYHNWKZLOSNNG-IRLDBZIGSA-N 2 0 360.542 3.105 20 0 FGADRP CC[NH+](CC)CCOc1ccccc1NC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000079549133 494477527 /nfs/dbraw/zinc/47/75/27/494477527.db2.gz PKFBWOKBGCKWDM-IEBWSBKVSA-N 2 0 374.529 3.156 20 0 FGADRP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@@H](C)[NH+](C)C1CC1 ZINC000074100440 494480974 /nfs/dbraw/zinc/48/09/74/494480974.db2.gz XEMWTYFLWUBNHA-QUCCMNQESA-N 2 0 372.557 3.023 20 0 FGADRP C[NH+](C)CCC1CCN(C(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)CC1 ZINC000079610814 494492300 /nfs/dbraw/zinc/49/23/00/494492300.db2.gz UXIPBXHOLTWNPD-OAQYLSRUSA-N 2 0 372.557 3.197 20 0 FGADRP CC(C)[N@H+](C)CC1CCN(C(=O)NCCC[NH+](C)C2CCCCC2)CC1 ZINC000079610095 494492452 /nfs/dbraw/zinc/49/24/52/494492452.db2.gz LRXFHXUTWMVVLF-UHFFFAOYSA-N 2 0 366.594 3.403 20 0 FGADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]C[C@@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000090936737 494505005 /nfs/dbraw/zinc/50/50/05/494505005.db2.gz ZTLNSCXIYRLOFZ-OPGCRTJHSA-N 2 0 353.913 3.402 20 0 FGADRP COc1ccc([C@H](CNC(=O)C[N@@H+]2C[C@H](C)C[C@@H]2C)[NH+]2CCCCC2)cc1 ZINC000568570677 505724751 /nfs/dbraw/zinc/72/47/51/505724751.db2.gz GIMLMSWSMBEQLD-LQWHRVPQSA-N 2 0 373.541 3.069 20 0 FGADRP CCC[N@@H+]1CC[C@@H](CNC(=O)N(CC)Cc2ccc(C[NH+](C)C)cc2)C1 ZINC000067280756 494507879 /nfs/dbraw/zinc/50/78/79/494507879.db2.gz BKGMEGJXQYEEFN-FQEVSTJZSA-N 2 0 360.546 3.012 20 0 FGADRP CSC1(C[NH2+]C2CC[NH+]([C@@H]3CCC[C@@H](C)C3)CC2)CC[NH+](C)CC1 ZINC000577430111 505725048 /nfs/dbraw/zinc/72/50/48/505725048.db2.gz HUOCANZGANJHIW-IEBWSBKVSA-N 3 0 353.620 3.447 20 0 FGADRP CN(Cc1c(F)cccc1Cl)C(=O)C[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000056524463 494520773 /nfs/dbraw/zinc/52/07/73/494520773.db2.gz USMWQDGHPVDLLM-UHFFFAOYSA-N 2 0 369.912 3.101 20 0 FGADRP C[C@@H]1C[N@@H+](CCCC[NH2+]Cc2cnc(-c3ccccc3)nc2)C[C@H](C)O1 ZINC000067452674 494544107 /nfs/dbraw/zinc/54/41/07/494544107.db2.gz LJGAIRITPPGFHJ-HDICACEKSA-N 2 0 354.498 3.123 20 0 FGADRP C[C@@H]1C[NH+](CCCC[NH2+]Cc2csc(Br)c2)C[C@@H](C)O1 ZINC000067452707 494544589 /nfs/dbraw/zinc/54/45/89/494544589.db2.gz XWYMZLGBWIWPGO-CHWSQXEVSA-N 2 0 361.349 3.490 20 0 FGADRP CC[C@@H](C(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1)[NH+](CC)CC ZINC000574237721 505727016 /nfs/dbraw/zinc/72/70/16/505727016.db2.gz UREYGUHRULNIOU-AEFFLSMTSA-N 2 0 351.560 3.197 20 0 FGADRP CC[N@@H+]1CC[C@H](CNC(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)C1 ZINC000056764042 494558767 /nfs/dbraw/zinc/55/87/67/494558767.db2.gz PRVRELZFHQSHKC-LJQANCHMSA-N 2 0 358.530 3.178 20 0 FGADRP CC[NH+]1CCC(NC(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)CC1 ZINC000056764391 494559357 /nfs/dbraw/zinc/55/93/57/494559357.db2.gz MJOSKFWQTBPCCB-UHFFFAOYSA-N 2 0 358.530 3.321 20 0 FGADRP CC(C)[N@H+](C)CC1CCN(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)CC1 ZINC000056780767 494561856 /nfs/dbraw/zinc/56/18/56/494561856.db2.gz DINYKHFREFIAKU-UHFFFAOYSA-N 2 0 352.567 3.057 20 0 FGADRP Cc1ccc(NC(=O)c2cccc(C[NH+](C)C)c2)c(OCC[NH+](C)C)c1 ZINC000074680355 494576969 /nfs/dbraw/zinc/57/69/69/494576969.db2.gz ZIFLEHSSECTAIC-UHFFFAOYSA-N 2 0 355.482 3.249 20 0 FGADRP CC[NH+]1CCC(CCNC(=O)N2CCC[N@H+](Cc3ccccc3)CC2)CC1 ZINC000074713511 494580160 /nfs/dbraw/zinc/58/01/60/494580160.db2.gz ROFDUABOHVJEQH-UHFFFAOYSA-N 2 0 372.557 3.026 20 0 FGADRP CC1CCC([NH+]2CCN(C(=O)NC3CC[NH+](C(C)(C)C)CC3)CC2)CC1 ZINC000115665101 494587530 /nfs/dbraw/zinc/58/75/30/494587530.db2.gz DDBDBKJNOAWGFU-UHFFFAOYSA-N 2 0 364.578 3.155 20 0 FGADRP C[C@@H](C[NH2+][C@@H](C)c1cccc(-c2ccncc2)c1)CN1CC[NH+](C)CC1 ZINC000121090967 494590923 /nfs/dbraw/zinc/59/09/23/494590923.db2.gz HJDXINPWXAOTSR-OALUTQOASA-N 2 0 352.526 3.283 20 0 FGADRP C[C@@H]1C[C@@H](NC(=O)NCC[NH+](C)C2CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000080118267 494602877 /nfs/dbraw/zinc/60/28/77/494602877.db2.gz CTSOUIGJWGURKP-QUCCMNQESA-N 2 0 372.557 3.213 20 0 FGADRP CC[NH+](CC)CCN(CC(C)C)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000074791634 494603062 /nfs/dbraw/zinc/60/30/62/494603062.db2.gz YYNJFWPADWQPOR-YQQQUEKLSA-N 2 0 352.567 3.011 20 0 FGADRP Cc1cc(C[NH+]2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)ccc1F ZINC000092426672 494622628 /nfs/dbraw/zinc/62/26/28/494622628.db2.gz BPBYMHYHORRLKJ-UHFFFAOYSA-N 2 0 363.521 3.050 20 0 FGADRP Cc1cccc(C[NH+]2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)c1C ZINC000092426615 494623536 /nfs/dbraw/zinc/62/35/36/494623536.db2.gz HZVVGMFXOCADGB-UHFFFAOYSA-N 2 0 359.558 3.219 20 0 FGADRP Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)[C@@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC000080611592 494746743 /nfs/dbraw/zinc/74/67/43/494746743.db2.gz GTWBAKDBPFSDLN-RTBURBONSA-N 2 0 373.566 3.357 20 0 FGADRP Cc1ccc(C(=O)NCC[NH2+][C@@H](C)c2cccc(OCC[NH+](C)C)c2)cc1 ZINC000131851997 494753329 /nfs/dbraw/zinc/75/33/29/494753329.db2.gz QMHCUMBZILFJMD-SFHVURJKSA-N 2 0 369.509 3.016 20 0 FGADRP C[N@@H+]1CCC[C@@]2(CCN(CCOc3cc(F)cc(Br)c3)C2)C1 ZINC000571466227 505740090 /nfs/dbraw/zinc/74/00/90/505740090.db2.gz QPROFDPZOMOJQU-QGZVFWFLSA-N 2 0 371.294 3.385 20 0 FGADRP CCC(CC)NC(=O)[C@H](C)[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092820887 494761181 /nfs/dbraw/zinc/76/11/81/494761181.db2.gz CVMFFCWFEPCKCN-KRWDZBQOSA-N 2 0 360.546 3.313 20 0 FGADRP CCC[N@@H+]1CC[C@H](CNC(=O)N(C)[C@@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000080665374 494761505 /nfs/dbraw/zinc/76/15/05/494761505.db2.gz KIMCGVFZCKEQGP-NHCUHLMSSA-N 2 0 372.557 3.024 20 0 FGADRP C[C@@H]1CCCC[C@@H]1NC(=O)C[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821424 494762772 /nfs/dbraw/zinc/76/27/72/494762772.db2.gz XXMNYDXYYOAGFV-NQIIRXRSSA-N 2 0 372.557 3.315 20 0 FGADRP CC(C)CCNC(=O)[C@H](C)[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821141 494763380 /nfs/dbraw/zinc/76/33/80/494763380.db2.gz BZEQSYIMWIBIPT-SFHVURJKSA-N 2 0 360.546 3.171 20 0 FGADRP CC[C@H](C)[N@H+](C)CCNC(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000116433858 494784721 /nfs/dbraw/zinc/78/47/21/494784721.db2.gz AMEHTUXWNLMLSR-ROUUACIJSA-N 2 0 360.546 3.242 20 0 FGADRP C[NH+](C)[C@@H](CNC(=O)c1cccc(C[NH+]2CCCC2)c1)c1ccccc1 ZINC000108965577 494811919 /nfs/dbraw/zinc/81/19/19/494811919.db2.gz JNKPHHHNSAYKPE-NRFANRHFSA-N 2 0 351.494 3.315 20 0 FGADRP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)[C@@H]2CCC[C@H]21 ZINC000568642556 505743317 /nfs/dbraw/zinc/74/33/17/505743317.db2.gz PYRRKWLHTIPGOT-FDFHNCONSA-N 3 0 357.542 3.124 20 0 FGADRP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N(C)C[C@H]2CCC[N@H+](C)C2)CC1 ZINC000116560885 494814802 /nfs/dbraw/zinc/81/48/02/494814802.db2.gz SXMUPGBOZIQHPK-MOPGFXCFSA-N 2 0 372.557 3.195 20 0 FGADRP Cc1cc(Cl)c2c(c1)[C@@H]([NH2+][C@@H](C)CN1CC[NH+](C)CC1)CCCO2 ZINC000126677120 494817694 /nfs/dbraw/zinc/81/76/94/494817694.db2.gz NSNOUSISXBPWLG-YJBOKZPZSA-N 2 0 351.922 3.088 20 0 FGADRP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)[C@H]2CCC[C@H]21 ZINC000568642555 505743659 /nfs/dbraw/zinc/74/36/59/505743659.db2.gz PYRRKWLHTIPGOT-BHIFYINESA-N 3 0 357.542 3.124 20 0 FGADRP O=C(c1cccc(C[NH+]2CCCC2)c1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000126733044 494827802 /nfs/dbraw/zinc/82/78/02/494827802.db2.gz UYDXSVUIAFBCHF-RBBKRZOGSA-N 2 0 367.537 3.371 20 0 FGADRP Cc1ccsc1CNC(=O)C[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000121657570 494831618 /nfs/dbraw/zinc/83/16/18/494831618.db2.gz VFNBJJXOIOTHAP-UHFFFAOYSA-N 2 0 363.571 3.261 20 0 FGADRP COc1ccc(C[NH+]2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)c2ccccc12 ZINC000093148268 494834879 /nfs/dbraw/zinc/83/48/79/494834879.db2.gz QOGVYAJUTCJQHJ-HXUWFJFHSA-N 2 0 367.537 3.450 20 0 FGADRP CC[C@@H]([NH2+]C[C@H](C(C)C)N1CC[NH+](C)CC1)c1ccc(OC)c(OC)c1 ZINC000132350855 494860460 /nfs/dbraw/zinc/86/04/60/494860460.db2.gz ZFMZZSCXOHKNEF-RTBURBONSA-N 2 0 363.546 3.017 20 0 FGADRP CC[C@@H]([NH2+]C[C@@H](C(C)C)N1CC[NH+](C)CC1)c1ccc(OC)c(OC)c1 ZINC000132350485 494860665 /nfs/dbraw/zinc/86/06/65/494860665.db2.gz ZFMZZSCXOHKNEF-MOPGFXCFSA-N 2 0 363.546 3.017 20 0 FGADRP [NH3+][C@H]1CCC[C@@H]([NH2+]CCSCCOc2cccc(Br)c2)C1 ZINC000568664383 505747848 /nfs/dbraw/zinc/74/78/48/505747848.db2.gz RIWIDUYICAMYSJ-LSDHHAIUSA-N 2 0 373.360 3.421 20 0 FGADRP CC[NH+]1CCN(CCC[NH2+][C@@H]2CCCc3ncc(C(F)(F)F)cc32)CC1 ZINC000132525171 494888149 /nfs/dbraw/zinc/88/81/49/494888149.db2.gz DBOREJHXDNTGJP-QGZVFWFLSA-N 2 0 370.463 3.095 20 0 FGADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H]2CCCOc3cc4c(cc32)CCC4)CC1 ZINC000121914664 494888857 /nfs/dbraw/zinc/88/88/57/494888857.db2.gz IRGVKYJLCKMMGY-LAUBAEHRSA-N 2 0 357.542 3.005 20 0 FGADRP COc1ccc(Cl)cc1[C@@H](C)[NH2+]C[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC000132542472 494891045 /nfs/dbraw/zinc/89/10/45/494891045.db2.gz JXKNUHIRBRJMEI-QAPCUYQASA-N 2 0 353.938 3.271 20 0 FGADRP CCC[NH+]1CCN(c2ccccc2CN2CC[C@@H](C[NH+]3CCCC3)C2)CC1 ZINC000093597544 494902981 /nfs/dbraw/zinc/90/29/81/494902981.db2.gz AWNPIODQHYPQKV-NRFANRHFSA-N 2 0 370.585 3.136 20 0 FGADRP C[C@@H]1C[C@H](NC(=O)NC2CC[NH+](C(C)(C)C)CC2)C[N@@H+]1Cc1ccccc1 ZINC000127291293 494923181 /nfs/dbraw/zinc/92/31/81/494923181.db2.gz PEIPOFNZBMHUIU-XLIONFOSSA-N 2 0 372.557 3.212 20 0 FGADRP C[C@@H]1C[N@@H+](CCC2CC[NH+](Cc3c[nH]nc3C(C)(C)C)CC2)C[C@H](C)O1 ZINC000093844376 494927358 /nfs/dbraw/zinc/92/73/58/494927358.db2.gz HHNSYQANVSOJDV-CALCHBBNSA-N 2 0 362.562 3.419 20 0 FGADRP OC[C@H]1CCC[N@@H+]1CCCC[NH2+][C@H]1CCCOc2cc3c(cc21)CCC3 ZINC000122335795 494959826 /nfs/dbraw/zinc/95/98/26/494959826.db2.gz MLEPCRYKPGMEEO-CTNGQTDRSA-N 2 0 358.526 3.216 20 0 FGADRP C[C@H]([NH2+]Cc1ccccc1OCC[NH+](C)C)c1ccc([S@](C)=O)cc1 ZINC000122360450 494963475 /nfs/dbraw/zinc/96/34/75/494963475.db2.gz WQDTUEPVENYSCM-IVCQMTBJSA-N 2 0 360.523 3.215 20 0 FGADRP Cc1nc(Cc2ccccc2)sc1[C@H](C)[NH2+]C[C@H](C)N1CC[NH+](C)CC1 ZINC000127612074 494969795 /nfs/dbraw/zinc/96/97/95/494969795.db2.gz UCWLSLNKRBNZEV-IRXDYDNUSA-N 2 0 372.582 3.329 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@H](c2cccc(F)c2)N(C)C)[C@H](C)C1 ZINC000133451443 495015736 /nfs/dbraw/zinc/01/57/36/495015736.db2.gz OOIVXOUJCIEFCJ-QMMLZNLJSA-N 2 0 365.537 3.155 20 0 FGADRP CCc1ccc([C@H](CNC(=O)N(C)[C@H]2CC[N@@H+](CC)C[C@@H]2C)[NH+](C)C)cc1 ZINC000127941950 495020753 /nfs/dbraw/zinc/02/07/53/495020753.db2.gz BOJUBRVKZALGFH-YYWHXJBOSA-N 2 0 374.573 3.223 20 0 FGADRP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)N2CCC(CC[NH+](C)C)CC2)C1 ZINC000097216233 495028541 /nfs/dbraw/zinc/02/85/41/495028541.db2.gz HPWVAYOKELJKLU-QZTJIDSGSA-N 2 0 366.594 3.116 20 0 FGADRP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)CC(=O)Nc2cc(Cl)ccc2OC)C1 ZINC000098173257 495062672 /nfs/dbraw/zinc/06/26/72/495062672.db2.gz QDZUPBQHMFQMFN-GJZGRUSLSA-N 2 0 367.921 3.387 20 0 FGADRP CCCC[N@H+](C)CC1CC[NH+](Cc2cc(OC)c3c(c2)OCCO3)CC1 ZINC000134155559 495113934 /nfs/dbraw/zinc/11/39/34/495113934.db2.gz DNYPZIVWKTWGGA-UHFFFAOYSA-N 2 0 362.514 3.410 20 0 FGADRP CC[NH+](CC)Cc1cccc(CNC(=O)N2CCC([NH2+]C(C)C)CC2)c1 ZINC000111815075 495115678 /nfs/dbraw/zinc/11/56/78/495115678.db2.gz YUMCPFOQJOEXHW-UHFFFAOYSA-N 2 0 360.546 3.200 20 0 FGADRP C[C@@H](C(=O)NCc1ccc(Cl)cc1)[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123341302 495117571 /nfs/dbraw/zinc/11/75/71/495117571.db2.gz SBLOGSKZHZMQQG-INIZCTEOSA-N 2 0 365.949 3.399 20 0 FGADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)NC2CC[NH+](C3CCCC3)CC2)C1 ZINC000128839631 495157514 /nfs/dbraw/zinc/15/75/14/495157514.db2.gz PPWFZSXPTQCKAJ-GOSISDBHSA-N 2 0 364.578 3.061 20 0 FGADRP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CCCc4ccccc43)cn2)CC1 ZINC000112529197 495201119 /nfs/dbraw/zinc/20/11/19/495201119.db2.gz YHEBJKPBLXNSCG-OAQYLSRUSA-N 2 0 350.510 3.391 20 0 FGADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1ccc(-c2ccccc2Cl)o1 ZINC000103211280 495204694 /nfs/dbraw/zinc/20/46/94/495204694.db2.gz PWHBWNNTCCTWRD-UHFFFAOYSA-N 2 0 363.889 3.165 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccccc2-n2cccn2)[C@H](C)C1 ZINC000119644752 495209289 /nfs/dbraw/zinc/20/92/89/495209289.db2.gz PKAMZAHIRJPZKK-QUCCMNQESA-N 2 0 356.514 3.099 20 0 FGADRP CC1CC[NH+](C[C@@H]2CCCN(C(=O)NCCCC[NH+]3CCCC3)C2)CC1 ZINC000103305891 495216856 /nfs/dbraw/zinc/21/68/56/495216856.db2.gz SSTVBOXHAKNXRZ-FQEVSTJZSA-N 2 0 364.578 3.016 20 0 FGADRP C[NH+](C)CC1CCC(NC(=O)NCCCCC[NH+]2CCCCC2)CC1 ZINC000119683739 495217945 /nfs/dbraw/zinc/21/79/45/495217945.db2.gz FHJVDOPMTUYKCW-UHFFFAOYSA-N 2 0 352.567 3.062 20 0 FGADRP CC[N@H+](C)Cc1cccc(C[NH2+][C@H](C)c2ccc(S(C)(=O)=O)cc2)c1 ZINC000124005984 495219975 /nfs/dbraw/zinc/21/99/75/495219975.db2.gz KWBGWVHRHOVMOE-MRXNPFEDSA-N 2 0 360.523 3.393 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)N(C)CC1CC[NH+](C)CC1)c1ccccc1 ZINC000103506861 495243903 /nfs/dbraw/zinc/24/39/03/495243903.db2.gz UVZVOCZIRHKAQX-FQEVSTJZSA-N 2 0 360.546 3.053 20 0 FGADRP COc1ccnc(N2CCN(Cc3ccc(F)c4cccnc34)CC2)c1 ZINC000104717002 495300540 /nfs/dbraw/zinc/30/05/40/495300540.db2.gz LJYYSVUCWDVPDU-UHFFFAOYSA-N 2 0 352.413 3.100 20 0 FGADRP C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N2CCC[C@H]([NH+](C)C)C2)C1 ZINC000105113378 495337955 /nfs/dbraw/zinc/33/79/55/495337955.db2.gz XXBLQHRSLFDVGH-RXVVDRJESA-N 2 0 372.557 3.154 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)NC[C@H]1CCC[N@H+](CC)C1)c1ccsc1 ZINC000105123952 495339157 /nfs/dbraw/zinc/33/91/57/495339157.db2.gz LRTPQVLKSMFAMO-AEFFLSMTSA-N 2 0 366.575 3.162 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000105134684 495339799 /nfs/dbraw/zinc/33/97/99/495339799.db2.gz BERYCLKKYGRIOD-WOJBJXKFSA-N 2 0 364.578 3.301 20 0 FGADRP COc1cccc([C@@H](CNC(=O)Nc2ccncc2C)[NH+]2CCCC2)c1 ZINC000120309303 495348643 /nfs/dbraw/zinc/34/86/43/495348643.db2.gz YMFKKBCLEPQLEN-LJQANCHMSA-N 2 0 354.454 3.357 20 0 FGADRP COc1cc(C[NH2+]CCC2CC[NH+](C)CC2)ccc1OCc1ccncc1 ZINC000105454484 495364546 /nfs/dbraw/zinc/36/45/46/495364546.db2.gz BGFWUGJAVVPYPE-UHFFFAOYSA-N 2 0 369.509 3.491 20 0 FGADRP C[N@@H+]1CCCN(CCC[NH2+]Cc2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000105476174 495365818 /nfs/dbraw/zinc/36/58/18/495365818.db2.gz AIKPSCXOJFYCFP-UHFFFAOYSA-N 2 0 363.855 3.476 20 0 FGADRP C[N@@H+]1CCCC[C@@H]1CCC(=O)N1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000568789888 505777753 /nfs/dbraw/zinc/77/77/53/505777753.db2.gz MMDGMCJCBGSHAK-GGAORHGYSA-N 2 0 369.553 3.376 20 0 FGADRP Cc1cccc(C)c1NC(=O)CCC[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000137055358 495420745 /nfs/dbraw/zinc/42/07/45/495420745.db2.gz FZBHKOAQQGNGIU-UHFFFAOYSA-N 2 0 373.541 3.066 20 0 FGADRP CCCC[N@H+](C)CC1CCN(CC(=O)Nc2nnc(C(C)C)s2)CC1 ZINC000137400763 495439104 /nfs/dbraw/zinc/43/91/04/495439104.db2.gz SURRQJMUXZHHGB-UHFFFAOYSA-N 2 0 367.563 3.044 20 0 FGADRP CC[N@H+](C)C[C@H]1CC[NH+](CCC(=O)Nc2ccccc2C(F)(F)F)C1 ZINC000137748798 495450220 /nfs/dbraw/zinc/45/02/20/495450220.db2.gz CHXXXSGKFCPTRA-CQSZACIVSA-N 2 0 357.420 3.308 20 0 FGADRP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)NC2CCC(C[NH+](C)C)CC2)C1 ZINC000138124242 495456245 /nfs/dbraw/zinc/45/62/45/495456245.db2.gz QFQHOUZNALPYEN-UVHRUJRTSA-N 2 0 366.594 3.164 20 0 FGADRP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000138120127 495456529 /nfs/dbraw/zinc/45/65/29/495456529.db2.gz FQUGFIRAXFLLQZ-VIQWUECVSA-N 2 0 352.567 3.061 20 0 FGADRP Cc1ccc([C@H](CNC(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)[NH+]2CCCC2)o1 ZINC000106554537 495468498 /nfs/dbraw/zinc/46/84/98/495468498.db2.gz MWSOCOQUWYZZBB-HKUYNNGSSA-N 2 0 374.529 3.041 20 0 FGADRP CC1CC[NH+](Cc2ccccc2CNC(=O)c2conc2C(C)(C)[NH3+])CC1 ZINC000577745804 505784240 /nfs/dbraw/zinc/78/42/40/505784240.db2.gz WBPFSCLKDJYMQX-UHFFFAOYSA-N 2 0 370.497 3.030 20 0 FGADRP C[C@H](C[NH2+][C@H](C)c1ccc(Br)s1)CN1CC[NH+](C)CC1 ZINC000120851335 495470763 /nfs/dbraw/zinc/47/07/63/495470763.db2.gz RRYCPNYMLRVSAX-CHWSQXEVSA-N 2 0 360.365 3.045 20 0 FGADRP C[C@H](C[NH2+][C@H]1CCCOc2c(Cl)cccc21)CN1CC[NH+](C)CC1 ZINC000120848750 495471344 /nfs/dbraw/zinc/47/13/44/495471344.db2.gz YGQMDCVNAYKGMX-QAPCUYQASA-N 2 0 351.922 3.027 20 0 FGADRP COc1ccc([C@@H](C)[NH2+]C[C@@H](C)CN2CC[NH+](C)CC2)c2ccccc12 ZINC000120865194 495473856 /nfs/dbraw/zinc/47/38/56/495473856.db2.gz SLWPNITZQBRYCG-QZTJIDSGSA-N 2 0 355.526 3.383 20 0 FGADRP C[NH+](C)CCNC(=O)c1cccc(C[NH2+][C@@H]2CC[C@H](c3ccccc3)C2)c1 ZINC000131119047 495495198 /nfs/dbraw/zinc/49/51/98/495495198.db2.gz NKPNYJPQVVAQCX-RBBKRZOGSA-N 2 0 365.521 3.404 20 0 FGADRP CCCN(Cc1ccc(C)cc1)C(=O)C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000580564647 505787139 /nfs/dbraw/zinc/78/71/39/505787139.db2.gz CQJZGOQLKQTCLQ-OAQYLSRUSA-N 2 0 357.542 3.055 20 0 FGADRP Cc1c(F)cccc1-c1ccc(C[NH2+]C[C@H](C)CN2CC[NH+](C)CC2)o1 ZINC000115616343 495521247 /nfs/dbraw/zinc/52/12/47/495521247.db2.gz ZWFBLWOXDKJPOQ-INIZCTEOSA-N 2 0 359.489 3.367 20 0 FGADRP CC[NH+]1CCN([C@@H]2CC[N@@H+]([C@@H](C)c3ccc(C(F)(F)F)cc3)C2)CC1 ZINC000107368730 495525857 /nfs/dbraw/zinc/52/58/57/495525857.db2.gz VDAKJPOWLBTDIF-MAUKXSAKSA-N 2 0 355.448 3.478 20 0 FGADRP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3c(C)cc(C)c(C(C)=O)c3C)C2)CC1 ZINC000107370674 495526353 /nfs/dbraw/zinc/52/63/53/495526353.db2.gz OISWODJGVSJMNI-FQEVSTJZSA-N 2 0 357.542 3.026 20 0 FGADRP O=C(c1cccc(C[NH+]2CCCC2)c1)N1CCC[C@@H]([NH+]2CCCCC2)C1 ZINC000107636784 495529955 /nfs/dbraw/zinc/52/99/55/495529955.db2.gz JKSVMOAGHPDGEL-OAQYLSRUSA-N 2 0 355.526 3.373 20 0 FGADRP C[C@@H](NC(=O)NCCC[NH+]1CCC(C)CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182375872 495538049 /nfs/dbraw/zinc/53/80/49/495538049.db2.gz VQXXHOVZEKNNMH-MOPGFXCFSA-N 2 0 364.578 3.061 20 0 FGADRP COc1ccccc1CCC[NH+]1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000182421406 495558175 /nfs/dbraw/zinc/55/81/75/495558175.db2.gz DTUUAHUWTBXSNH-BGYRXZFFSA-N 2 0 359.558 3.118 20 0 FGADRP CC[NH+]1CCN(CCC[NH2+][C@H](C)[C@@H](C)c2nc3ccccc3s2)CC1 ZINC000154275271 495565139 /nfs/dbraw/zinc/56/51/39/495565139.db2.gz WEPWYLMPTMBDRG-IAGOWNOFSA-N 2 0 360.571 3.406 20 0 FGADRP C[NH+](C)CCCC1CCN(C(=O)NC[C@@H](c2cccs2)[NH+](C)C)CC1 ZINC000179457678 495598759 /nfs/dbraw/zinc/59/87/59/495598759.db2.gz MVVFVLMFDZLYJL-KRWDZBQOSA-N 2 0 366.575 3.114 20 0 FGADRP CC[C@H]([NH2+]CCCC[NH+]1CCN(C)CC1)c1ccccc1OC(F)F ZINC000154410664 495607923 /nfs/dbraw/zinc/60/79/23/495607923.db2.gz BPVRCUVFJNLKNJ-KRWDZBQOSA-N 2 0 355.473 3.356 20 0 FGADRP CCN1CC[NH+](CCCC[NH2+][C@@H](C)c2cc(OC)c(OC)cc2C)CC1 ZINC000154460311 495622650 /nfs/dbraw/zinc/62/26/50/495622650.db2.gz IZQRKVRXTZBKQV-SFHVURJKSA-N 2 0 363.546 3.081 20 0 FGADRP C[NH+](C)CCC1CC[NH+]([C@@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)CC1 ZINC000154461205 495623190 /nfs/dbraw/zinc/62/31/90/495623190.db2.gz BOGZQEOMHMTMDC-GOSISDBHSA-N 2 0 367.896 3.248 20 0 FGADRP COCOc1ccc(OC)cc1C[NH2+]Cc1ccccc1-n1ccnc1 ZINC000154482058 495630093 /nfs/dbraw/zinc/63/00/93/495630093.db2.gz RJUUOBOSHYYHGO-UHFFFAOYSA-N 2 0 353.422 3.153 20 0 FGADRP CCN1CC[NH+](CCCC[NH2+][C@H](C)c2ccc(OC(F)F)cc2)CC1 ZINC000154529768 495644893 /nfs/dbraw/zinc/64/48/93/495644893.db2.gz YKPLULZTLMYZDE-MRXNPFEDSA-N 2 0 355.473 3.356 20 0 FGADRP CCCC[N@H+](C)CC1CCN(C(=O)NCC[C@@H](C)[NH+]2CCCCC2)CC1 ZINC000182690360 495664659 /nfs/dbraw/zinc/66/46/59/495664659.db2.gz FDOKNYURWORPRV-LJQANCHMSA-N 2 0 366.594 3.404 20 0 FGADRP Cc1ccc(C)c(OC[C@H](O)C[NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000185676065 495673581 /nfs/dbraw/zinc/67/35/81/495673581.db2.gz QSQBPAJJLIGCDS-SFHLNBCPSA-N 2 0 360.542 3.286 20 0 FGADRP C[NH+](C)Cc1cccc(CNC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2)c1 ZINC000173815391 495704838 /nfs/dbraw/zinc/70/48/38/495704838.db2.gz NDRIUFLHWRCVAZ-QFIPXVFZSA-N 2 0 365.521 3.419 20 0 FGADRP C[C@@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1ccc(OC(F)(F)F)cc1 ZINC000151000198 495708240 /nfs/dbraw/zinc/70/82/40/495708240.db2.gz KVUKEHCHFPFQPP-CQSZACIVSA-N 2 0 359.436 3.262 20 0 FGADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)N(C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000176626165 495725310 /nfs/dbraw/zinc/72/53/10/495725310.db2.gz SSOIBJAZDDPKAV-SFTDATJTSA-N 2 0 372.557 3.024 20 0 FGADRP O[C@H](CO[C@@H]1CCCc2ccccc21)C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000173870547 495726271 /nfs/dbraw/zinc/72/62/71/495726271.db2.gz SZYQTYWJBZBJHU-UNWVZKJWSA-N 2 0 372.553 3.249 20 0 FGADRP CC(C)[NH+]1CCC(C(=O)NC[C@@]2(C)CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000154837576 495744241 /nfs/dbraw/zinc/74/42/41/495744241.db2.gz WSKWHQZMCMGYCV-JOCHJYFZSA-N 2 0 357.542 3.278 20 0 FGADRP CC(C)[N@H+](C)Cc1ccccc1C[NH2+][C@H](Cc1ccc(Cl)cc1)C(N)=O ZINC000185891055 495768494 /nfs/dbraw/zinc/76/84/94/495768494.db2.gz DHDWLJRYOOXOPZ-HXUWFJFHSA-N 2 0 373.928 3.366 20 0 FGADRP C[C@@H]([NH2+]CCCOC1CC[NH+](Cc2ccccc2)CC1)c1nccn1C ZINC000183073133 495823510 /nfs/dbraw/zinc/82/35/10/495823510.db2.gz YLWVOPPWMHWCMM-GOSISDBHSA-N 2 0 356.514 3.142 20 0 FGADRP CC[C@H](C)NC(=O)[C@H](C)[NH2+]Cc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000174156732 495841596 /nfs/dbraw/zinc/84/15/96/495841596.db2.gz APFPAXFVNYVGNN-IRXDYDNUSA-N 2 0 357.498 3.304 20 0 FGADRP C[C@@H]([NH2+]Cc1cccc(OCCN2CCOCC2)c1)c1cccc(F)c1 ZINC000155179673 495864921 /nfs/dbraw/zinc/86/49/21/495864921.db2.gz WWWDFNFKMBPMIF-QGZVFWFLSA-N 2 0 358.457 3.388 20 0 FGADRP Cc1ccc2c(c1)[C@@H]([NH2+]Cc1ccnc(N3CC[NH+](C)CC3)c1)[C@H](C)C2 ZINC000180138711 495875687 /nfs/dbraw/zinc/87/56/87/495875687.db2.gz HTOJBITWWCJNHW-VGSWGCGISA-N 2 0 350.510 3.165 20 0 FGADRP C[C@@H]1C[C@H](N(C)C(=O)NCC2CC[NH+](Cc3ccccc3)CC2)CC[N@@H+]1C ZINC000174345178 495920473 /nfs/dbraw/zinc/92/04/73/495920473.db2.gz LLPSLASGOQCJIF-WIYYLYMNSA-N 2 0 372.557 3.023 20 0 FGADRP C[C@@H]1[C@H](NC(=O)Nc2ccc3c(c2)C[NH2+]C3)CC[N@@H+]1Cc1ccccc1 ZINC000571772383 505812441 /nfs/dbraw/zinc/81/24/41/505812441.db2.gz QKVDHYHFADAGFZ-FOIQADDNSA-N 2 0 350.466 3.074 20 0 FGADRP O=C(NCc1ccc(C[NH+]2CCCC2)cc1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000171596618 495942131 /nfs/dbraw/zinc/94/21/31/495942131.db2.gz FSGMNTGNMUHKPE-OAQYLSRUSA-N 2 0 370.541 3.052 20 0 FGADRP CC(=O)Nc1cccc(C[NH2+][C@H](C)c2ccc(OCC[NH+](C)C)cc2)c1 ZINC000155419613 495952142 /nfs/dbraw/zinc/95/21/42/495952142.db2.gz UZBVBQOIMYDGEI-MRXNPFEDSA-N 2 0 355.482 3.436 20 0 FGADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H](C)c2ccccc2OC(F)(F)F)CC1 ZINC000155587158 496004184 /nfs/dbraw/zinc/00/41/84/496004184.db2.gz SMTJVSNPYBUXPK-CABCVRRESA-N 2 0 359.436 3.262 20 0 FGADRP COc1ccc([C@@H]([NH2+]C[C@@H](C)N2CC[NH+](C)CC2)c2ccccc2)cc1 ZINC000180464111 496006064 /nfs/dbraw/zinc/00/60/64/496006064.db2.gz ROVASJCFGBTFSY-GCJKJVERSA-N 2 0 353.510 3.010 20 0 FGADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H]2CCSc3ccc(Cl)cc32)CC1 ZINC000155639117 496022103 /nfs/dbraw/zinc/02/21/03/496022103.db2.gz JISWRYHXAYMNQE-RHSMWYFYSA-N 2 0 353.963 3.493 20 0 FGADRP C[NH+]1CCN(c2cc(C[NH2+][C@@H]3CCCCc4ccccc43)ccn2)CC1 ZINC000177427229 496058279 /nfs/dbraw/zinc/05/82/79/496058279.db2.gz VHQVDJCHSAOSHH-OAQYLSRUSA-N 2 0 350.510 3.391 20 0 FGADRP O=C(NC1CC[NH+](C2CCCC2)CC1)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000177456875 496068416 /nfs/dbraw/zinc/06/84/16/496068416.db2.gz ZTLLHTQDEPBTEE-OAQYLSRUSA-N 2 0 355.526 3.174 20 0 FGADRP CC[C@@H]([NH2+]CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)c1ccc(OC)cc1 ZINC000180772053 496139792 /nfs/dbraw/zinc/13/97/92/496139792.db2.gz QEGXQUTVRZGZPY-NHCUHLMSSA-N 2 0 369.509 3.155 20 0 FGADRP CC[C@H]([NH2+]CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)c1ccc(OC)cc1 ZINC000180772030 496140174 /nfs/dbraw/zinc/14/01/74/496140174.db2.gz QEGXQUTVRZGZPY-LEWJYISDSA-N 2 0 369.509 3.155 20 0 FGADRP CCOc1ccc(C2(C[NH2+][C@H]3CC[N@H+](CC)C[C@H]3C)CCOCC2)cc1 ZINC000152454264 496156916 /nfs/dbraw/zinc/15/69/16/496156916.db2.gz QBEICWUFLSVNRT-NQIIRXRSSA-N 2 0 360.542 3.453 20 0 FGADRP Cc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)[C@@H](C)C2 ZINC000180907283 496194797 /nfs/dbraw/zinc/19/47/97/496194797.db2.gz DETPXWLWRCIBSV-JTSKRJEESA-N 2 0 365.521 3.310 20 0 FGADRP O=C(NCCCCC[NH+]1CCCCC1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000161629250 496209502 /nfs/dbraw/zinc/20/95/02/496209502.db2.gz CGFXDAVHJGGVGJ-UHFFFAOYSA-N 2 0 364.578 3.160 20 0 FGADRP C[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)c1ccc2ccccc2n1 ZINC000177827864 496212495 /nfs/dbraw/zinc/21/24/95/496212495.db2.gz SVZHJXQXCBVUHP-KRWDZBQOSA-N 2 0 361.493 3.232 20 0 FGADRP C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CN1C1CC1 ZINC000177890348 496241755 /nfs/dbraw/zinc/24/17/55/496241755.db2.gz NRMVLSFBDFHKAX-DCXXXQMHSA-N 2 0 357.542 3.011 20 0 FGADRP C[C@H]([NH2+]CCc1cn2c(n1)CCCC2)c1ccc(N2CCCC2=O)cc1 ZINC000152813419 496263967 /nfs/dbraw/zinc/26/39/67/496263967.db2.gz ABHJCYLPFGPQLA-INIZCTEOSA-N 2 0 352.482 3.240 20 0 FGADRP CN1c2ccc(C[N@@H+]3CC[C@H]4[C@H](CCC[NH+]4C4CC4)C3)cc2CCC1=O ZINC000187125511 496304744 /nfs/dbraw/zinc/30/47/44/496304744.db2.gz QSLAUKASBRLBSY-NQIIRXRSSA-N 2 0 353.510 3.044 20 0 FGADRP O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000172507676 496321174 /nfs/dbraw/zinc/32/11/74/496321174.db2.gz VSCFYCMPPKZBJQ-IBGZPJMESA-N 2 0 374.529 3.076 20 0 FGADRP CCCOc1ccc([C@@H](C)[NH2+]Cc2ccnc(N3CC[NH+](C)CC3)c2)cc1 ZINC000178120543 496337471 /nfs/dbraw/zinc/33/74/71/496337471.db2.gz LYGCBCAFNRBJOP-GOSISDBHSA-N 2 0 368.525 3.473 20 0 FGADRP CC[NH+](CC)[C@H]1CCN(C(=O)NC2CC[NH+](Cc3ccccc3C)CC2)C1 ZINC000175393116 496370818 /nfs/dbraw/zinc/37/08/18/496370818.db2.gz AXNQGLLUZDINDX-NRFANRHFSA-N 2 0 372.557 3.085 20 0 FGADRP C[C@H]([NH2+]Cc1cccc(OCC[NH+](C)C)c1)c1ccc([S@@](C)=O)cc1 ZINC000162572770 496375362 /nfs/dbraw/zinc/37/53/62/496375362.db2.gz LDMGCMJSWIKJCN-LMKMVOKYSA-N 2 0 360.523 3.215 20 0 FGADRP C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)c1cccc(C[NH+](C)C)c1 ZINC000157095006 496404290 /nfs/dbraw/zinc/40/42/90/496404290.db2.gz AEOPNMVSORCVLG-IBGZPJMESA-N 2 0 365.521 3.485 20 0 FGADRP CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000184553507 496436642 /nfs/dbraw/zinc/43/66/42/496436642.db2.gz MIKRGFRPUPYCIU-OAQYLSRUSA-N 2 0 374.573 3.315 20 0 FGADRP COc1ccccc1[C@H](O)C[NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000178445375 496458910 /nfs/dbraw/zinc/45/89/10/496458910.db2.gz BZUPFTJKTRQMBC-OXJNMPFZSA-N 2 0 358.482 3.020 20 0 FGADRP CC(C)OCCCC[NH2+]Cc1c(Cl)cccc1N1CC[NH+](C)CC1 ZINC000181599068 496463749 /nfs/dbraw/zinc/46/37/49/496463749.db2.gz WVXBFGFSPOSCTI-UHFFFAOYSA-N 2 0 353.938 3.387 20 0 FGADRP C[C@@H]([NH2+][C@H](C)C(C)(C)C)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000163332691 496500369 /nfs/dbraw/zinc/50/03/69/496500369.db2.gz RSZNDYIWYYVTHW-HZPDHXFCSA-N 2 0 369.575 3.002 20 0 FGADRP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(C[NH2+]C(C3CCC3)C3CCC3)c2)C1 ZINC000571932128 505848402 /nfs/dbraw/zinc/84/84/02/505848402.db2.gz ZYBYJXMMXHUHIK-OAQYLSRUSA-N 2 0 369.553 3.442 20 0 FGADRP CCc1ccc([C@H](CNC(=O)CC[C@H]([NH3+])c2ccccc2)[NH+](C)C)cc1 ZINC000163599661 496536304 /nfs/dbraw/zinc/53/63/04/496536304.db2.gz XSUTUABUCMEJLE-SFTDATJTSA-N 2 0 353.510 3.448 20 0 FGADRP CCCC[N@H+](C)CC1CCN(C(=O)NCC2CC[NH+](CCC)CC2)CC1 ZINC000157790377 496555828 /nfs/dbraw/zinc/55/58/28/496555828.db2.gz TUCBITAJFRAAHB-UHFFFAOYSA-N 2 0 366.594 3.262 20 0 FGADRP CC[NH+]1CCN(CCC[NH2+][C@@H]2CCCSc3ccc(OC)cc32)CC1 ZINC000187765901 496563348 /nfs/dbraw/zinc/56/33/48/496563348.db2.gz MQSKWAYTYITVSY-LJQANCHMSA-N 2 0 363.571 3.239 20 0 FGADRP CC[C@H]([NH2+]CCCC[NH+]1CCN(Cc2ccccc2)CC1)c1cnn(C)c1 ZINC000163927211 496570448 /nfs/dbraw/zinc/57/04/48/496570448.db2.gz LHYKLQQXQSBNDK-QFIPXVFZSA-N 2 0 369.557 3.059 20 0 FGADRP CC[C@@H]1CN(C(=O)c2cccc(C[NH+](C)C)c2)CC[N@@H+]1Cc1ccccc1 ZINC000184923837 496586478 /nfs/dbraw/zinc/58/64/78/496586478.db2.gz LHFFOOAJLACTSV-JOCHJYFZSA-N 2 0 365.521 3.485 20 0 FGADRP C[C@@H]1CC[C@@H]([NH2+]Cc2cccc(C[NH+]3CCCC3)c2)[C@H](n2cncn2)C1 ZINC000574790360 505856336 /nfs/dbraw/zinc/85/63/36/505856336.db2.gz IKXURRYRXYVVFZ-DUXKGJEZSA-N 2 0 353.514 3.393 20 0 FGADRP CC[NH+]1CCN(CCC[NH2+][C@@H](C)c2cccc(Br)c2)CC1 ZINC000173319009 496640519 /nfs/dbraw/zinc/64/05/19/496640519.db2.gz YNLBKRDLIKIYTL-HNNXBMFYSA-N 2 0 354.336 3.127 20 0 FGADRP CN(C(=O)[C@H]1CCCCCC[C@@H]1[NH3+])C1CC[NH+](Cc2ccccc2)CC1 ZINC000167669505 496704488 /nfs/dbraw/zinc/70/44/88/496704488.db2.gz GHOKALGSBKXGDT-SFTDATJTSA-N 2 0 357.542 3.407 20 0 FGADRP O=C(NCCCCC[NH+]1CCCCC1)C1(c2ccccc2)CC[NH2+]CC1 ZINC000168743201 496712300 /nfs/dbraw/zinc/71/23/00/496712300.db2.gz SOAICEDUMGWJJC-UHFFFAOYSA-N 2 0 357.542 3.080 20 0 FGADRP CC[NH+](CC)Cc1ccccc1CNC(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21 ZINC000182254581 496720329 /nfs/dbraw/zinc/72/03/29/496720329.db2.gz HJUXFDIXFOCECR-SFTDATJTSA-N 2 0 372.557 3.154 20 0 FGADRP C[C@@H]1C[N@@H+](C)C[C@H](C)N1C(=O)c1cccc(C[NH+](C)Cc2ccccc2)c1 ZINC000179252184 496721147 /nfs/dbraw/zinc/72/11/47/496721147.db2.gz FTLHDMJOXUNGSX-KDURUIRLSA-N 2 0 365.521 3.483 20 0 FGADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000246991877 496745801 /nfs/dbraw/zinc/74/58/01/496745801.db2.gz PHUIPEOOYXREOS-LEWJYISDSA-N 2 0 372.557 3.153 20 0 FGADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)C1 ZINC000247005693 496749559 /nfs/dbraw/zinc/74/95/59/496749559.db2.gz PVCBGWVGGGXNGO-CEXWTWQISA-N 2 0 364.578 3.013 20 0 FGADRP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCN(c3cccc(Br)c3)C2)CC[N@@H+]1C ZINC000247033576 496758184 /nfs/dbraw/zinc/75/81/84/496758184.db2.gz MIWFOPPXOARQRW-INMHGKMJSA-N 2 0 366.347 3.348 20 0 FGADRP Cn1c2cc(Br)ccc2nc1CN1CCC[C@H]([NH+](C)C)CC1 ZINC000277406181 496762123 /nfs/dbraw/zinc/76/21/23/496762123.db2.gz ZSQQBTXTZUEDTO-AWEZNQCLSA-N 2 0 365.319 3.252 20 0 FGADRP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@H](C)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000247156655 496794354 /nfs/dbraw/zinc/79/43/54/496794354.db2.gz TYJXLLRORKNTAO-DLBZAZTESA-N 2 0 352.544 3.253 20 0 FGADRP CN1CCN(C)[C@@H](C[NH2+][C@H]2CCCc3nc(-c4ccccc4)sc32)C1 ZINC000268866232 496808972 /nfs/dbraw/zinc/80/89/72/496808972.db2.gz FKVDZSCPRSBMTB-IRXDYDNUSA-N 2 0 356.539 3.023 20 0 FGADRP CN(c1ccccc1CN1CCC[C@H]([NH+](C)C)CC1)C1CC[NH+](C)CC1 ZINC000277551866 496809053 /nfs/dbraw/zinc/80/90/53/496809053.db2.gz RBAWAYINHIOOMD-FQEVSTJZSA-N 2 0 358.574 3.133 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1N[C@H]1CC[NH+](CC2CCCC2)C1 ZINC000247234509 496811773 /nfs/dbraw/zinc/81/17/73/496811773.db2.gz XEJPTVLDWGEVIM-COPCDDAFSA-N 2 0 356.558 3.146 20 0 FGADRP C[N@@H+]1CCC[C@@H](CNC(=O)Cc2cn3ccccc3n2)[C@H]1c1cccs1 ZINC000247265504 496819744 /nfs/dbraw/zinc/81/97/44/496819744.db2.gz FGSMFQNBJYDHOF-YWZLYKJASA-N 2 0 368.506 3.138 20 0 FGADRP COc1cccc([C@H](O)C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000268962069 496837144 /nfs/dbraw/zinc/83/71/44/496837144.db2.gz XOKKZMSTAPIUNA-ZPMCFJSWSA-N 2 0 354.494 3.229 20 0 FGADRP C[C@H](C(=O)NCc1ccc(Cl)cc1)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000247479744 496868064 /nfs/dbraw/zinc/86/80/64/496868064.db2.gz JZUJBTYJGKOAAL-CRAIPNDOSA-N 2 0 351.922 3.151 20 0 FGADRP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC000247489486 496872057 /nfs/dbraw/zinc/87/20/57/496872057.db2.gz VQVWHIODRBBFLI-QBUWPKIASA-N 2 0 364.578 3.202 20 0 FGADRP Cc1ccc(OC[C@@H](O)C[N@@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)cc1 ZINC000247644813 496899084 /nfs/dbraw/zinc/89/90/84/496899084.db2.gz UFONDRQFNPFCHN-YADHBBJMSA-N 2 0 368.521 3.189 20 0 FGADRP CC[N@H+](Cc1ccc(C(=O)N2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)cc1)C(C)C ZINC000247974750 496936147 /nfs/dbraw/zinc/93/61/47/496936147.db2.gz HQJJSVLZTSHSCR-LEWJYISDSA-N 2 0 357.542 3.473 20 0 FGADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@H]3CCCCN3Cc3ccc(F)cc3)CC[C@@H]21 ZINC000248163808 496967035 /nfs/dbraw/zinc/96/70/35/496967035.db2.gz SPEPYVMIKCFLEO-HLAWJBBLSA-N 2 0 373.516 3.123 20 0 FGADRP C[C@@H](CCNC(=O)c1ccc(CC[NH+](C)C)cc1)[N@H+](C)Cc1ccccc1 ZINC000580961148 505877785 /nfs/dbraw/zinc/87/77/85/505877785.db2.gz KWVDCWAKMJAMMI-IBGZPJMESA-N 2 0 367.537 3.431 20 0 FGADRP C[C@H](NC(=O)NCCC[N@@H+]1CCCC[C@@H]1C)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000248405116 496998964 /nfs/dbraw/zinc/99/89/64/496998964.db2.gz RBAYACPENMSGED-FHWLQOOXSA-N 2 0 364.578 3.203 20 0 FGADRP OC[C@@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000248442762 497012734 /nfs/dbraw/zinc/01/27/34/497012734.db2.gz LBQGOBCCJWYXJT-DXBBTUNJSA-N 2 0 370.537 3.081 20 0 FGADRP COc1cc(Br)ccc1CN1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000248456518 497017357 /nfs/dbraw/zinc/01/73/57/497017357.db2.gz SHYNYUBAQHMQRI-XJKSGUPXSA-N 2 0 353.304 3.374 20 0 FGADRP Cc1cncc([C@@H](C)[NH2+]CCCN2CC[N@H+](C)C[C@H]2c2ccccc2)c1 ZINC000248757094 497100127 /nfs/dbraw/zinc/10/01/27/497100127.db2.gz VFRAUEOGADGYNQ-KNQAVFIVSA-N 2 0 352.526 3.419 20 0 FGADRP [NH3+]Cc1ccc(C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)cc1 ZINC000248886612 497126189 /nfs/dbraw/zinc/12/61/89/497126189.db2.gz QVHXCOAZDLSQSL-FCHUYYIVSA-N 2 0 363.505 3.272 20 0 FGADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC000274640278 497136694 /nfs/dbraw/zinc/13/66/94/497136694.db2.gz RCRALCQRILLGKA-HOTGVXAUSA-N 2 0 357.464 3.252 20 0 FGADRP COc1cc(C[NH2+]CC2CC[NH+](C3CC3)CC2)cc(Br)c1O ZINC000278538349 497147829 /nfs/dbraw/zinc/14/78/29/497147829.db2.gz WVFZZPHDNNJOMK-UHFFFAOYSA-N 2 0 369.303 3.127 20 0 FGADRP CC[NH+](CC)Cc1ccc(C[NH2+]Cc2cnc3c(c2)c(C)nn3C)cc1 ZINC000236936105 497169617 /nfs/dbraw/zinc/16/96/17/497169617.db2.gz GIJLCCVAFFVKLS-UHFFFAOYSA-N 2 0 351.498 3.408 20 0 FGADRP C[NH+](C)CCn1ccc2ccc(NC(=O)[C@@H]3CCCCCC[C@H]3[NH3+])cc21 ZINC000237000339 497179222 /nfs/dbraw/zinc/17/92/22/497179222.db2.gz MDVWGSPTJDKLPA-RTBURBONSA-N 2 0 356.514 3.439 20 0 FGADRP CC[C@@]1(CO)CCC[NH+]1Cc1cccc(C[N@H+]2CCC[C@@]2(CC)CO)c1 ZINC000189619047 497184013 /nfs/dbraw/zinc/18/40/13/497184013.db2.gz VFTGRCGODLQNHV-VXKWHMMOSA-N 2 0 360.542 3.160 20 0 FGADRP O[C@H](CN1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1)CC(F)(F)F ZINC000249282557 497186907 /nfs/dbraw/zinc/18/69/07/497186907.db2.gz LCDLHQPWJKXRMX-FGTMMUONSA-N 2 0 356.432 3.286 20 0 FGADRP C[NH+](C)C1CCN(c2ccc(NC(=O)CCCCCC[NH3+])cc2F)CC1 ZINC000237084267 497189719 /nfs/dbraw/zinc/18/97/19/497189719.db2.gz HLTLYIYCYKBEPE-UHFFFAOYSA-N 2 0 364.509 3.204 20 0 FGADRP C[N@@H+]1CCC[C@H](CNC(=O)C(C)(C)C[NH3+])[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000237085281 497189772 /nfs/dbraw/zinc/18/97/72/497189772.db2.gz BPZGWIWCZUQAHB-ZBFHGGJFSA-N 2 0 371.447 3.189 20 0 FGADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CCC[C@H]2C[C@H](O)c2cccs2)CC1 ZINC000192754428 497204397 /nfs/dbraw/zinc/20/43/97/497204397.db2.gz SAJPEXBBCWGWOP-OALUTQOASA-N 2 0 365.587 3.052 20 0 FGADRP Cc1cnccc1OC1CCN([C@H](C(=O)N(C)C)c2ccccc2)CC1 ZINC000278743456 497205981 /nfs/dbraw/zinc/20/59/81/497205981.db2.gz WODWEHBUNFLZCW-FQEVSTJZSA-N 2 0 353.466 3.063 20 0 FGADRP CN(Cc1cscn1)Cc1cccc(NC(=O)C2(C[NH3+])CCCC2)c1 ZINC000237228502 497206405 /nfs/dbraw/zinc/20/64/05/497206405.db2.gz VFSAIKMLBQYXPY-UHFFFAOYSA-N 2 0 358.511 3.233 20 0 FGADRP C[C@H](C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000237404169 497232372 /nfs/dbraw/zinc/23/23/72/497232372.db2.gz GLVMVOWDXJPVGS-JIMIUWDKSA-N 2 0 369.553 3.071 20 0 FGADRP C[C@H](C(=O)N1CCC[N@H+](Cc2ccccc2)CC1)[C@@H]([NH3+])c1ccccc1 ZINC000237412070 497233323 /nfs/dbraw/zinc/23/33/23/497233323.db2.gz VANCCOSGKCMRJN-GHTZIAJQSA-N 2 0 351.494 3.057 20 0 FGADRP COc1ccc([C@@H](CNC(=O)CCC2CC[NH2+]CC2)[NH+]2CCCCC2)cc1 ZINC000237486750 497244574 /nfs/dbraw/zinc/24/45/74/497244574.db2.gz UDCDOEHBYPLJFJ-OAQYLSRUSA-N 2 0 373.541 3.118 20 0 FGADRP O[C@@H](C[NH2+]Cc1ccccc1C[NH+]1CCCC1)COCc1ccccc1F ZINC000578232239 505893842 /nfs/dbraw/zinc/89/38/42/505893842.db2.gz MQMRQGRDNWGZIF-NRFANRHFSA-N 2 0 372.484 3.089 20 0 FGADRP Cc1ccc(NC(=O)[C@H](C)[C@@H]([NH3+])c2ccccc2)c(OCC[NH+](C)C)c1 ZINC000237633485 497266570 /nfs/dbraw/zinc/26/65/70/497266570.db2.gz GMTXIJLOBSLNIJ-OXQOHEQNSA-N 2 0 355.482 3.210 20 0 FGADRP O=C([C@@H]1CCC[N@H+](Cc2ccccc2)C1)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000250652486 497269025 /nfs/dbraw/zinc/26/90/25/497269025.db2.gz RFTPKPBETZRLOU-YADHBBJMSA-N 2 0 369.553 3.376 20 0 FGADRP Cc1ccc([C@H](CNC(=O)NCCC[N@H+]2CCCC[C@H]2C)[NH+](C)C)cc1 ZINC000251500805 497274285 /nfs/dbraw/zinc/27/42/85/497274285.db2.gz WEHOWYIRNVFVBS-QUCCMNQESA-N 2 0 360.546 3.161 20 0 FGADRP CC(C)[NH+]1CCN(C2CC[NH+](Cc3ccc4c(c3)CC(C)(C)O4)CC2)CC1 ZINC000271186019 497284147 /nfs/dbraw/zinc/28/41/47/497284147.db2.gz DSSKEBUTEGVBJA-UHFFFAOYSA-N 2 0 371.569 3.391 20 0 FGADRP C[C@H]([NH2+]CCOCC(F)(F)C(F)(F)F)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000189933441 497297922 /nfs/dbraw/zinc/29/79/22/497297922.db2.gz MRXJVAJNMIQLLX-QWHCGFSZSA-N 2 0 358.395 3.443 20 0 FGADRP [NH3+][C@H](CC(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1ccccc1 ZINC000237858209 497303761 /nfs/dbraw/zinc/30/37/61/497303761.db2.gz JMYVXIDRLQATOM-QFBILLFUSA-N 2 0 357.523 3.166 20 0 FGADRP Cc1ccc(C[NH+]2CCC(CNC(=O)CC3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)cc1 ZINC000237867030 497304597 /nfs/dbraw/zinc/30/45/97/497304597.db2.gz NDKYXKMZNKFQLQ-FRIKZZABSA-N 2 0 369.553 3.244 20 0 FGADRP [NH3+][C@H](CC(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1)c1ccccc1 ZINC000237879289 497306826 /nfs/dbraw/zinc/30/68/26/497306826.db2.gz VUCQCYNFWSHDBC-HXUWFJFHSA-N 2 0 369.534 3.307 20 0 FGADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)NC[C@H](C(C)C)[NH+]2CCC(C)CC2)C1 ZINC000252538036 497310909 /nfs/dbraw/zinc/31/09/09/497310909.db2.gz BXVOPBWGJKNYBH-WOJBJXKFSA-N 2 0 366.594 3.116 20 0 FGADRP [NH3+][C@H](CCC(=O)NC[C@H](c1cccs1)[NH+]1CCCC1)c1ccccc1 ZINC000237923430 497315248 /nfs/dbraw/zinc/31/52/48/497315248.db2.gz OIBKEOMRGJSEPK-QZTJIDSGSA-N 2 0 357.523 3.481 20 0 FGADRP O=C(CCC1CC[NH2+]CC1)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000237960294 497319666 /nfs/dbraw/zinc/31/96/66/497319666.db2.gz MMLJDYCISBOSRI-UHFFFAOYSA-N 2 0 357.542 3.459 20 0 FGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCCc2ccc3c(c2)CCO3)[C@H](C)C1 ZINC000193294385 497342330 /nfs/dbraw/zinc/34/23/30/497342330.db2.gz KUXDWOJAVBJZHD-WIYYLYMNSA-N 2 0 360.542 3.281 20 0 FGADRP CC(=O)Nc1ccc(C[NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)cn1 ZINC000279142899 497347802 /nfs/dbraw/zinc/34/78/02/497347802.db2.gz SAXFQLWGSBNCLB-NJDAHSKKSA-N 2 0 364.493 3.040 20 0 FGADRP C[C@H](C(=O)NCC1CC[NH+](Cc2ccccc2)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000245203170 497376771 /nfs/dbraw/zinc/37/67/71/497376771.db2.gz ZZNZRWVUJLGNJP-GUDVDZBRSA-N 2 0 357.542 3.276 20 0 FGADRP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)c1ccc(Br)cc1 ZINC000271578526 497388606 /nfs/dbraw/zinc/38/86/06/497388606.db2.gz ZYSYOCYNZILVDU-VHSSKADRSA-N 2 0 367.331 3.478 20 0 FGADRP C[C@H](CC(=O)N[C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1CCC[NH2+]C1 ZINC000261575358 497415713 /nfs/dbraw/zinc/41/57/13/497415713.db2.gz BNELUSGHNHJGRL-RMVXJAJNSA-N 2 0 357.542 3.039 20 0 FGADRP CC[N@H+](C)C[C@H]1CCN([C@H](C)C(=O)Nc2ccc(C(F)(F)F)cc2)C1 ZINC000245464373 497420205 /nfs/dbraw/zinc/42/02/05/497420205.db2.gz XXYYVRBEPAXPOB-ZIAGYGMSSA-N 2 0 357.420 3.306 20 0 FGADRP C[C@@H]1CC[N@H+](Cc2cn(C3CCCC3)nc2-c2ccccn2)C[C@@H]1C[NH3+] ZINC000575021401 505906213 /nfs/dbraw/zinc/90/62/13/505906213.db2.gz CHXODYVNGLCXMF-SJORKVTESA-N 2 0 353.514 3.477 20 0 FGADRP CC[C@@H](C(=O)NC[C@H](c1ccsc1)[NH+](C)C)[N@H+](C)Cc1ccccc1 ZINC000572170478 505906775 /nfs/dbraw/zinc/90/67/75/505906775.db2.gz SMLXDJSNYJPEFH-RBUKOAKNSA-N 2 0 359.539 3.378 20 0 FGADRP CC[N@H+](CC1CC[NH2+]CC1)C1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC000261755006 497446186 /nfs/dbraw/zinc/44/61/86/497446186.db2.gz NRMDIUXBIWBPGV-UHFFFAOYSA-N 2 0 359.562 3.199 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@H](C)c1cc(C)oc1C ZINC000245583889 497465325 /nfs/dbraw/zinc/46/53/25/497465325.db2.gz ACPQZBWEHKAFJB-AEFFLSMTSA-N 2 0 364.534 3.015 20 0 FGADRP C[NH2+]CCC1CC[NH+](CC(=O)N[C@@H](C)c2ccc(Cl)c(Cl)c2)CC1 ZINC000261967573 497483352 /nfs/dbraw/zinc/48/33/52/497483352.db2.gz BWADNQLPCBLSMO-ZDUSSCGKSA-N 2 0 372.340 3.492 20 0 FGADRP C[NH2+]CCC1CC[NH+](CC(=O)N[C@H](C)c2ccc(Cl)c(Cl)c2)CC1 ZINC000261967571 497483916 /nfs/dbraw/zinc/48/39/16/497483916.db2.gz BWADNQLPCBLSMO-CYBMUJFWSA-N 2 0 372.340 3.492 20 0 FGADRP C[NH2+]CCC1CC[NH+]([C@@H](C)C(=O)Nc2cccc(C(F)(F)F)c2)CC1 ZINC000261988453 497488869 /nfs/dbraw/zinc/48/88/69/497488869.db2.gz KYDDMTBZWVZHLC-ZDUSSCGKSA-N 2 0 357.420 3.354 20 0 FGADRP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)NC2CC[NH+](C(C)(C)C)CC2)C1 ZINC000193846600 497500367 /nfs/dbraw/zinc/50/03/67/497500367.db2.gz HFLKUFWXIWHLSI-IAGOWNOFSA-N 2 0 366.594 3.305 20 0 FGADRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC2CC[NH+](C(C)(C)C)CC2)C1 ZINC000193868737 497506749 /nfs/dbraw/zinc/50/67/49/497506749.db2.gz CJNQZGWGBGQZGV-MRXNPFEDSA-N 2 0 352.567 3.059 20 0 FGADRP Cc1ccc(COc2ccc(C[N@@H+]3CC[C@H](N4CC[NH2+]CC4)C3)cc2)cc1 ZINC000262092336 497507241 /nfs/dbraw/zinc/50/72/41/497507241.db2.gz HGHAWZHSTFDSFK-QFIPXVFZSA-N 2 0 365.521 3.054 20 0 FGADRP CN(C)C(=O)C1(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CCCC1 ZINC000245750741 497527695 /nfs/dbraw/zinc/52/76/95/497527695.db2.gz TZFNQVFFTZZDIZ-WKCHPHFGSA-N 2 0 369.553 3.420 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+])c1ccsc1 ZINC000262331056 497541437 /nfs/dbraw/zinc/54/14/37/497541437.db2.gz RSOBUGLCMXTMJT-MLECAZACSA-N 2 0 363.571 3.401 20 0 FGADRP CC[N@@H+](Cc1nccc(OC)c1OC)CC1CCN(c2ccccn2)CC1 ZINC000190612875 497545663 /nfs/dbraw/zinc/54/56/63/497545663.db2.gz ZDALXVQZYOZNLD-UHFFFAOYSA-N 2 0 370.497 3.232 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)[C@H]1CC[NH2+][C@@H](C)C1)c1ccccc1Cl ZINC000262393862 497549509 /nfs/dbraw/zinc/54/95/09/497549509.db2.gz NCKYSSAIUGNPSM-RLFYNMQTSA-N 2 0 351.922 3.227 20 0 FGADRP Cn1cc(C[C@H]2CC[N@H+](Cc3ccc(C[NH+]4CCCCC4)cc3)C2)cn1 ZINC000578323882 505914658 /nfs/dbraw/zinc/91/46/58/505914658.db2.gz AFJKLPKULIPYAR-OAQYLSRUSA-N 2 0 352.526 3.471 20 0 FGADRP COc1ccc([C@H](O)C[NH2+][C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000272223086 497568676 /nfs/dbraw/zinc/56/86/76/497568676.db2.gz AJHHZQPOIQGWAD-RBDMOPTHSA-N 2 0 354.494 3.229 20 0 FGADRP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000245917559 497571042 /nfs/dbraw/zinc/57/10/42/497571042.db2.gz NJCICFYZVHHBFJ-OTWHNJEPSA-N 2 0 366.594 3.116 20 0 FGADRP CCC[NH+]1CC[C@@H](CNc2nc(NC[C@H]3CC[N@@H+](CCC)C3)ncc2C)C1 ZINC000245965293 497585237 /nfs/dbraw/zinc/58/52/37/497585237.db2.gz DWNBXZCUAINQMH-RBUKOAKNSA-N 2 0 374.577 3.073 20 0 FGADRP C[C@@H](NC(=O)c1ccc(C[NH+](C)C)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272300475 497590191 /nfs/dbraw/zinc/59/01/91/497590191.db2.gz PRNBJGDBXCQMQH-XMSQKQJNSA-N 2 0 365.521 3.389 20 0 FGADRP C[C@H]([NH2+]CCNC(=O)c1ccccc1F)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272529245 497652621 /nfs/dbraw/zinc/65/26/21/497652621.db2.gz AIIJNQRUSDOVKH-PKOBYXMFSA-N 2 0 369.484 3.056 20 0 FGADRP C[C@H](c1ccccc1)N1CC[C@@H]([NH2+]CCCC[NH+]2C[C@@H](C)O[C@H](C)C2)C1 ZINC000246260229 497676495 /nfs/dbraw/zinc/67/64/95/497676495.db2.gz QQHBCNZIAYNRCL-NXLVEIQXSA-N 2 0 359.558 3.301 20 0 FGADRP C[C@H](C(=O)N[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1)[C@@H]([NH3+])c1ccccc1 ZINC000246274763 497680935 /nfs/dbraw/zinc/68/09/35/497680935.db2.gz MBAHSFQCLCPHHY-ZCLUNYJNSA-N 2 0 351.494 3.102 20 0 FGADRP C[C@@]1([NH3+])CCCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000263028834 497685273 /nfs/dbraw/zinc/68/52/73/497685273.db2.gz RQAWLWHKETUSTM-VQFZFJAISA-N 2 0 355.526 3.206 20 0 FGADRP CCOC(=O)N1CCC([NH2+][C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000272695300 497704672 /nfs/dbraw/zinc/70/46/72/497704672.db2.gz XPXJXPKWYYMKLA-PKOBYXMFSA-N 2 0 359.514 3.108 20 0 FGADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)NCCCC[NH+]2C[C@H](C)C[C@@H](C)C2)C1 ZINC000246360418 497707280 /nfs/dbraw/zinc/70/72/80/497707280.db2.gz PUABNNMMRCUNLF-AQNXPRMDSA-N 2 0 366.594 3.118 20 0 FGADRP CN(c1ccccc1CN[C@@H]1CCC[C@@H]([NH+](C)C)C1)C1CC[NH+](C)CC1 ZINC000246367195 497709717 /nfs/dbraw/zinc/70/97/17/497709717.db2.gz GOJDWNWFYWSRNT-TZIWHRDSSA-N 2 0 358.574 3.179 20 0 FGADRP O=C([C@@H]1CCC[N@@H+]1Cc1ccccc1)N1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000246410040 497724542 /nfs/dbraw/zinc/72/45/42/497724542.db2.gz KWJIUITUUAEXLQ-HJNYFJLDSA-N 2 0 367.537 3.126 20 0 FGADRP C[C@@]1([NH3+])CCCC[C@H]1C(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000263222647 497736576 /nfs/dbraw/zinc/73/65/76/497736576.db2.gz MEYQEOQFZBWGRG-AZUAARDMSA-N 2 0 363.933 3.328 20 0 FGADRP C[C@H](C(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1)[C@H]([NH3+])c1ccccc1 ZINC000263258961 497743961 /nfs/dbraw/zinc/74/39/61/497743961.db2.gz LUHCOIYBMZMBER-HUUJSLGLSA-N 2 0 357.542 3.436 20 0 FGADRP C[NH+](C)CCOc1ccc(NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)cc1Cl ZINC000263296161 497752389 /nfs/dbraw/zinc/75/23/89/497752389.db2.gz XZJPCNMRTNBIGH-XKQJLSEDSA-N 2 0 365.905 3.140 20 0 FGADRP C[C@@]1([NH3+])CCCC[C@H]1C(=O)Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1 ZINC000263315542 497755751 /nfs/dbraw/zinc/75/57/51/497755751.db2.gz ZKKHEEDYQKEFFY-RBBKRZOGSA-N 2 0 370.541 3.065 20 0 FGADRP CC[C@H](C)[N@H+](C)CC(=O)NC[C@H](c1ccc(OC)cc1)[NH+]1CCCCC1 ZINC000246503781 497756133 /nfs/dbraw/zinc/75/61/33/497756133.db2.gz HVYOQAROHXLSPY-FXAWDEMLSA-N 2 0 361.530 3.069 20 0 FGADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000246577851 497780117 /nfs/dbraw/zinc/78/01/17/497780117.db2.gz ZRSZVQWHNMKOMF-SFTDATJTSA-N 2 0 372.557 3.024 20 0 FGADRP C[NH+]1CCN(c2cc(C[NH2+][C@H]3CCCc4nc(Cl)ccc43)ccn2)CC1 ZINC000295920575 497854065 /nfs/dbraw/zinc/85/40/65/497854065.db2.gz JRLNBMPXCAAYSA-KRWDZBQOSA-N 2 0 371.916 3.049 20 0 FGADRP O[C@H](C[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1)CC(F)(F)F ZINC000364267608 497870696 /nfs/dbraw/zinc/87/06/96/497870696.db2.gz JFYMGIHJQNXRBX-KRWDZBQOSA-N 2 0 356.432 3.288 20 0 FGADRP O=C(Nc1cccc2c1CC[NH2+]C2)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000578502223 505955999 /nfs/dbraw/zinc/95/59/99/505955999.db2.gz ZTCIGJRJPCTKAD-OAQYLSRUSA-N 2 0 364.493 3.291 20 0 FGADRP Cc1cc(-n2ccnc2)ccc1C[NH+]1CCC(NC(=O)C2CCC2)CC1 ZINC000364471982 497973466 /nfs/dbraw/zinc/97/34/66/497973466.db2.gz JYOMDFUDBHGVOU-UHFFFAOYSA-N 2 0 352.482 3.061 20 0 FGADRP CCC[N@H+](CC)C[C@H](C)NC(=O)N(C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000581362808 505970750 /nfs/dbraw/zinc/97/07/50/505970750.db2.gz IIDNPBPUOOJAHD-PZJWPPBQSA-N 2 0 374.573 3.270 20 0 FGADRP CC[NH+]1CCN(Cc2ccc(C[NH2+][C@@H](C)c3cc(C)ccn3)cc2)CC1 ZINC000285505043 498110316 /nfs/dbraw/zinc/11/03/16/498110316.db2.gz CVROUUFMCNIWSN-IBGZPJMESA-N 2 0 352.526 3.378 20 0 FGADRP CCN(C(=O)Nc1ccn2ccnc2c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000569653805 505984680 /nfs/dbraw/zinc/98/46/80/505984680.db2.gz TYZVSVFATHSEMZ-LJQANCHMSA-N 2 0 363.465 3.463 20 0 FGADRP Cc1nc(C[NH2+]CCCOC2CC[NH+](Cc3ccccc3)CC2)[nH]c1C ZINC000578644332 505988340 /nfs/dbraw/zinc/98/83/40/505988340.db2.gz WKCXALCOHDMLIV-UHFFFAOYSA-N 2 0 356.514 3.187 20 0 FGADRP Cc1c([C@@H](C)[NH2+]CCOCC[NH+](C)C)cnn1-c1cccc(Cl)c1 ZINC000572538402 505993002 /nfs/dbraw/zinc/99/30/02/505993002.db2.gz FGNCRTWOCWQMIJ-CQSZACIVSA-N 2 0 350.894 3.063 20 0 FGADRP CC(C)C[C@H]([NH2+][C@H]1C[C@H](C)Sc2sccc21)C(=O)NCC[NH+](C)C ZINC000575755784 505997621 /nfs/dbraw/zinc/99/76/21/505997621.db2.gz ZFTIOXHWIPJGGG-BPUTZDHNSA-N 2 0 369.600 3.356 20 0 FGADRP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]C[C@H]2CN4CCCC[C@@H]4CO2)C3)cc1 ZINC000364927844 498214360 /nfs/dbraw/zinc/21/43/60/498214360.db2.gz CPJHCUNSNJGAHV-KCSJKLDESA-N 2 0 369.553 3.025 20 0 FGADRP CC[NH+]1CCC(C[NH2+]C[C@@H](O)Cn2c3ccccc3c3ccccc32)CC1 ZINC000581484108 505998726 /nfs/dbraw/zinc/99/87/26/505998726.db2.gz UADQVDPSXXQCIX-LJQANCHMSA-N 2 0 365.521 3.477 20 0 FGADRP C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)[C@@H]2CCC[NH2+]C2)cc1 ZINC000289660625 498235268 /nfs/dbraw/zinc/23/52/68/498235268.db2.gz CUEFPXNPEXNTCY-HXUWFJFHSA-N 2 0 351.494 3.031 20 0 FGADRP CC[C@H](C)[NH2+][C@H](CNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1)c1ccco1 ZINC000575777144 506002624 /nfs/dbraw/zinc/00/26/24/506002624.db2.gz NOBIQTUSAVRAKL-SXLOBPIMSA-N 2 0 369.509 3.490 20 0 FGADRP Cc1[nH+]c2ccccc2c(N2CC[C@@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)c1C ZINC000360384963 498270722 /nfs/dbraw/zinc/27/07/22/498270722.db2.gz JXWVOXMIWKGAQF-HRAATJIYSA-N 2 0 352.526 3.314 20 0 FGADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CCC(=O)Nc3cccc(C(F)(F)F)c3)C[C@@H]21 ZINC000575803053 506008529 /nfs/dbraw/zinc/00/85/29/506008529.db2.gz ATPFVVFNCJADCX-UHOFOFEASA-N 2 0 355.404 3.093 20 0 FGADRP CC[NH+]1CCC([NH2+]Cc2cccc(-c3nc(CC(F)(F)F)no3)c2)CC1 ZINC000289825344 498310580 /nfs/dbraw/zinc/31/05/80/498310580.db2.gz PCIGLYMCLLVSHW-UHFFFAOYSA-N 2 0 368.403 3.415 20 0 FGADRP C[C@@H]([NH2+]Cc1ccccc1C[N@H+](C)C1CCCCC1)c1ccc(=O)[nH]n1 ZINC000286167719 498312514 /nfs/dbraw/zinc/31/25/14/498312514.db2.gz QFOLWXGCPJDEFT-MRXNPFEDSA-N 2 0 354.498 3.385 20 0 FGADRP CC[C@@H](C(=O)NCc1ccc(C[NH+](C)C)cc1)[N@H+](C)Cc1ccccc1 ZINC000581554739 506014398 /nfs/dbraw/zinc/01/43/98/506014398.db2.gz WKRDPDZNKKMEIX-NRFANRHFSA-N 2 0 353.510 3.275 20 0 FGADRP COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]Cc1ccc(-n2ccnc2)nc1)CC3 ZINC000361037284 498336554 /nfs/dbraw/zinc/33/65/54/498336554.db2.gz VRSWLPQIIBHZTO-MRXNPFEDSA-N 2 0 373.460 3.404 20 0 FGADRP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)CC3 ZINC000361068858 498340915 /nfs/dbraw/zinc/34/09/15/498340915.db2.gz RPOMJWSQNLUUES-MSOLQXFVSA-N 2 0 366.553 3.092 20 0 FGADRP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)CC3 ZINC000361068870 498341450 /nfs/dbraw/zinc/34/14/50/498341450.db2.gz RPOMJWSQNLUUES-QZTJIDSGSA-N 2 0 366.553 3.092 20 0 FGADRP O=C1O[C@@H](C[N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)CC12CCC2 ZINC000293408977 498374947 /nfs/dbraw/zinc/37/49/47/498374947.db2.gz RWTQVMTZXZETHW-HXUWFJFHSA-N 2 0 368.521 3.460 20 0 FGADRP O=C1O[C@H](C[NH+]2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)CC12CCC2 ZINC000365278947 498384773 /nfs/dbraw/zinc/38/47/73/498384773.db2.gz XGFZHDNWOMXGPE-FQEVSTJZSA-N 2 0 368.521 3.460 20 0 FGADRP c1ccc(CN2CCC[C@@H]([NH2+]C3CCN(c4cc[nH+]cc4)CC3)C2)cc1 ZINC000297291903 498393580 /nfs/dbraw/zinc/39/35/80/498393580.db2.gz AMPINVBUEKLURP-OAQYLSRUSA-N 3 0 350.510 3.305 20 0 FGADRP O=C(NC1CC[NH+](C2CCC2)CC1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000297313319 498401414 /nfs/dbraw/zinc/40/14/14/498401414.db2.gz YSFJMCWDYXMRLS-UHFFFAOYSA-N 2 0 355.526 3.419 20 0 FGADRP COCc1cc(CN2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)no1 ZINC000297322243 498404740 /nfs/dbraw/zinc/40/47/40/498404740.db2.gz CTPZATYCHWDVIU-UHFFFAOYSA-N 2 0 355.482 3.309 20 0 FGADRP [NH3+][C@H]1CCC[C@@H](CNC(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)C1 ZINC000575898684 506029361 /nfs/dbraw/zinc/02/93/61/506029361.db2.gz YPMDJSHWTWXCFM-RTWAWAEBSA-N 2 0 372.557 3.379 20 0 FGADRP C[C@@H]1C[C@H]([NH2+]C2CCN(c3cc[nH+]cc3)CC2)CN1Cc1ccccc1 ZINC000297356819 498418984 /nfs/dbraw/zinc/41/89/84/498418984.db2.gz FLDXAGLZDCOLTA-NQIIRXRSSA-N 2 0 350.510 3.303 20 0 FGADRP CC1=C[C@@H](C)C[C@H](C[NH+]2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)C1 ZINC000575913758 506031939 /nfs/dbraw/zinc/03/19/39/506031939.db2.gz JSIBFZVYSVKRPU-MJGOQNOKSA-N 2 0 363.590 3.395 20 0 FGADRP CC1(C[NH+]2CCOCC2)CCN(Cc2ncccc2C(F)(F)F)CC1 ZINC000365382811 498435841 /nfs/dbraw/zinc/43/58/41/498435841.db2.gz XYQKCOUDMJNYQZ-UHFFFAOYSA-N 2 0 357.420 3.035 20 0 FGADRP CCOc1c(Cl)cc(C[NH+]2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)cc1OC ZINC000575922918 506033881 /nfs/dbraw/zinc/03/38/81/506033881.db2.gz OGTMEURQHHACEQ-AEFFLSMTSA-N 2 0 368.905 3.076 20 0 FGADRP C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000286571442 498439925 /nfs/dbraw/zinc/43/99/25/498439925.db2.gz XOZPDEDULQAXJT-GHTZIAJQSA-N 2 0 370.541 3.051 20 0 FGADRP C[C@@H]1C[N@H+](CCC[NH2+][C@H](C[C@H]2CCOC2)c2ccc(F)cc2)CCCO1 ZINC000293793190 498491135 /nfs/dbraw/zinc/49/11/35/498491135.db2.gz UNGPLUMHQOZCCR-DBXWQHBBSA-N 2 0 364.505 3.384 20 0 FGADRP c1ccc2c(c1)CCN(c1ccc(C[NH2+]C3CCN(C4CC4)CC3)cn1)C2 ZINC000297585841 498502049 /nfs/dbraw/zinc/50/20/49/498502049.db2.gz IVMCBKUSEBMBFD-UHFFFAOYSA-N 2 0 362.521 3.361 20 0 FGADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1ccc(C(C)(C)C(F)(F)F)cc1 ZINC000569916973 506046472 /nfs/dbraw/zinc/04/64/72/506046472.db2.gz SUOGJKQGQMLSNM-UHFFFAOYSA-N 2 0 373.463 3.092 20 0 FGADRP C[C@@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)[C@H](C)c1nc2ccccc2s1 ZINC000282482412 498529611 /nfs/dbraw/zinc/52/96/11/498529611.db2.gz WXQXDOXALVWMPG-JKSUJKDBSA-N 2 0 360.571 3.404 20 0 FGADRP C[C@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)c1cc(Cl)c(N)c(Cl)c1 ZINC000282512459 498541015 /nfs/dbraw/zinc/54/10/15/498541015.db2.gz ZDBFKAMUGJQSAP-LBPRGKRZSA-N 2 0 359.345 3.252 20 0 FGADRP C[C@@H](C[NH2+][C@@H](C)c1ccc(Oc2ccccc2)cn1)CN1CC[NH+](C)CC1 ZINC000297741221 498554135 /nfs/dbraw/zinc/55/41/35/498554135.db2.gz NXSUETTWJGFRDY-OALUTQOASA-N 2 0 368.525 3.408 20 0 FGADRP Cc1cc(OCCC[C@H](C)[NH2+]CC2(O)CC[NH+](C)CC2)ccc1Cl ZINC000282586377 498570736 /nfs/dbraw/zinc/57/07/36/498570736.db2.gz ICPURXYGXRHUBH-INIZCTEOSA-N 2 0 354.922 3.242 20 0 FGADRP Clc1ccc(-c2noc(CC[NH2+][C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)n2)cc1 ZINC000569957940 506056391 /nfs/dbraw/zinc/05/63/91/506056391.db2.gz XHTCURNBQFGKPI-BRWVUGGUSA-N 2 0 360.889 3.443 20 0 FGADRP CC(C)S(=O)(=O)CCC[NH2+][C@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000282612860 498581713 /nfs/dbraw/zinc/58/17/13/498581713.db2.gz ZBKNATARZMEBME-IBGZPJMESA-N 2 0 366.571 3.090 20 0 FGADRP CN1CC[C@H](Nc2cc(NCC3CC3)ncn2)[C@H]1c1ccc(F)c(F)c1 ZINC000302816759 498586149 /nfs/dbraw/zinc/58/61/49/498586149.db2.gz ILMVOCMWIVBGGQ-QFBILLFUSA-N 2 0 359.424 3.434 20 0 FGADRP OC[C@@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+][C@H]1CCCC12CCOCC2 ZINC000282673173 498605844 /nfs/dbraw/zinc/60/58/44/498605844.db2.gz JFWXOFMRVFFVBS-SFTDATJTSA-N 2 0 358.526 3.082 20 0 FGADRP CO[C@H](c1ccccc1)[C@H](C)[NH2+][C@@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000569994368 506064615 /nfs/dbraw/zinc/06/46/15/506064615.db2.gz ZDWQFFQIELBURS-VJBMBRPKSA-N 2 0 367.537 3.341 20 0 FGADRP CC(C)[C@@H](C(=O)Nc1cccc(NC(=O)CC[NH+]2CCCCC2)c1)[C@H](C)[NH3+] ZINC000572838672 506064764 /nfs/dbraw/zinc/06/47/64/506064764.db2.gz GWQSFNVIQMCLSP-OXJNMPFZSA-N 2 0 374.529 3.059 20 0 FGADRP C[N@H+](CCCNC(=O)NCC(C)(C)[NH+]1CCCCC1)C1CCCCC1 ZINC000302969968 498634750 /nfs/dbraw/zinc/63/47/50/498634750.db2.gz SCFLAMUCDAIECG-UHFFFAOYSA-N 2 0 352.567 3.205 20 0 FGADRP C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)NCCCC[NH+]1C[C@H](C)C[C@H](C)C1 ZINC000303012729 498638723 /nfs/dbraw/zinc/63/87/23/498638723.db2.gz PBLURLWLWWIFJR-HAGHYFMRSA-N 2 0 366.594 3.164 20 0 FGADRP O=C(NCc1ccnc(N2CCCC2)c1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000298084675 498659364 /nfs/dbraw/zinc/65/93/64/498659364.db2.gz DXPITEWXZRZMMC-UHFFFAOYSA-N 2 0 364.493 3.208 20 0 FGADRP O=C(NC[C@@H]1CCCC[N@@H+]1Cc1ccc2c(c1)C[NH2+]CC2)c1ccccc1 ZINC000581829507 506069683 /nfs/dbraw/zinc/06/96/83/506069683.db2.gz WABCJWQBFBPJFA-QFIPXVFZSA-N 2 0 363.505 3.117 20 0 FGADRP Fc1ccc(C2OCCO2)c(Cl)c1CN[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000365835254 498661759 /nfs/dbraw/zinc/66/17/59/498661759.db2.gz DEBMHHSOPCVZAY-OLZOCXBDSA-N 2 0 354.853 3.241 20 0 FGADRP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCc2ccc3c[nH+]cn3c2)C1 ZINC000570021948 506071128 /nfs/dbraw/zinc/07/11/28/506071128.db2.gz ZJWYJARMFIPEBL-INIZCTEOSA-N 2 0 357.502 3.034 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)[C@@H]1CCCCCC[C@H]1[NH3+] ZINC000576043167 506062196 /nfs/dbraw/zinc/06/21/96/506062196.db2.gz DWTHYWGFKVJLFZ-WLRLJWMZSA-N 2 0 357.542 3.311 20 0 FGADRP C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)[C@H]2C[C@H]3CCCC[NH+]3C2)CC1 ZINC000363170158 498683782 /nfs/dbraw/zinc/68/37/82/498683782.db2.gz DDFLRHGCYPQEOH-FCHUYYIVSA-N 2 0 369.553 3.231 20 0 FGADRP CC(C)Oc1cccc([C@H](O)C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000298227946 498701549 /nfs/dbraw/zinc/70/15/49/498701549.db2.gz AZWMNHWDUSWNTQ-OAQYLSRUSA-N 2 0 355.482 3.161 20 0 FGADRP O=C(NCCCCC[NH+]1CCCCC1)C1CC[NH+](Cc2cccnc2)CC1 ZINC000363259140 498732296 /nfs/dbraw/zinc/73/22/96/498732296.db2.gz LSTKEMJYCBEIKU-UHFFFAOYSA-N 2 0 372.557 3.066 20 0 FGADRP COC(=O)c1ccc(C[NH2+][C@H]2CCN(Cc3ccccc3)[C@H]2C)cc1F ZINC000311600203 498751544 /nfs/dbraw/zinc/75/15/44/498751544.db2.gz GNWIWPCEZQLVNF-YWZLYKJASA-N 2 0 356.441 3.365 20 0 FGADRP COC(=O)c1ccc(C[NH2+][C@@H]2CCN(Cc3ccccc3)[C@@H]2C)cc1F ZINC000311600200 498753128 /nfs/dbraw/zinc/75/31/28/498753128.db2.gz GNWIWPCEZQLVNF-FOIQADDNSA-N 2 0 356.441 3.365 20 0 FGADRP CSc1ccc([C@H](CNC(=O)c2ccc3c[nH+]cn3c2)[NH+](C)C)cc1 ZINC000581905877 506086057 /nfs/dbraw/zinc/08/60/57/506086057.db2.gz BLSSLXHVSLTCRE-SFHVURJKSA-N 2 0 354.479 3.089 20 0 FGADRP OC[C@@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000572962265 506092207 /nfs/dbraw/zinc/09/22/07/506092207.db2.gz BHFYXKBOPMSHHR-GOSISDBHSA-N 2 0 365.399 3.392 20 0 FGADRP C[NH+]1CCC(CC[NH2+]C[C@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000323880668 498822474 /nfs/dbraw/zinc/82/24/74/498822474.db2.gz VLWGXPYWIHPAPI-HNNXBMFYSA-N 2 0 361.313 3.055 20 0 FGADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000366246741 498838893 /nfs/dbraw/zinc/83/88/93/498838893.db2.gz FMQTWOJFURJJDK-UHFFFAOYSA-N 2 0 372.557 3.297 20 0 FGADRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2ccccc2CC2CC[NH2+]CC2)C1 ZINC000579125619 506099408 /nfs/dbraw/zinc/09/94/08/506099408.db2.gz OFZWSSOAAUJYQV-GOSISDBHSA-N 2 0 371.569 3.469 20 0 FGADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000326444167 498842785 /nfs/dbraw/zinc/84/27/85/498842785.db2.gz BKDKGIHYOBCUHI-IRXDYDNUSA-N 2 0 369.575 3.098 20 0 FGADRP C[C@@H]([NH+](C)Cc1cc(C[N@@H+](C)[C@H](C)C(C)(C)O)ccc1F)C(C)(C)O ZINC000295091960 498906415 /nfs/dbraw/zinc/90/64/15/498906415.db2.gz FJTFAYAOTWRWNN-HUUCEWRRSA-N 2 0 354.510 3.008 20 0 FGADRP C[C@@H]1C[C@H](NC(=O)C(C)(C)[C@@H]([NH3+])c2ccccc2)C[N@@H+]1Cc1ccccc1 ZINC000570207693 506115245 /nfs/dbraw/zinc/11/52/45/506115245.db2.gz MHZYKLQDKFUBQX-QMMLZNLJSA-N 2 0 365.521 3.492 20 0 FGADRP C[C@@H]1C[C@H](NC(=O)C(C)(C)[C@H]([NH3+])c2ccccc2)C[N@@H+]1Cc1ccccc1 ZINC000570207565 506115266 /nfs/dbraw/zinc/11/52/66/506115266.db2.gz MHZYKLQDKFUBQX-JRGCBEDISA-N 2 0 365.521 3.492 20 0 FGADRP CCCn1ncnc1CN1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000291467791 498952135 /nfs/dbraw/zinc/95/21/35/498952135.db2.gz OOHFZXKNBUBRAQ-UHFFFAOYSA-N 2 0 353.514 3.176 20 0 FGADRP C[C@@H](C(=O)Nc1ccccc1NC1CC[NH+](C)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000299149527 498979062 /nfs/dbraw/zinc/97/90/62/498979062.db2.gz YRHTZJJJHSWRLS-ZACQAIPSSA-N 2 0 358.530 3.393 20 0 FGADRP O=C([C@@H](c1ccccc1)[NH+]1CCC([C@H]2CC[NH2+]C2)CC1)N1CCCCC1 ZINC000582063302 506125403 /nfs/dbraw/zinc/12/54/03/506125403.db2.gz WZQCXCOKXYZREM-LEWJYISDSA-N 2 0 355.526 3.062 20 0 FGADRP C[C@@H]1CN(Cc2ccccc2NC(=O)c2ccc3c[nH+]cn3c2)C[C@@H](C)O1 ZINC000283925537 499013837 /nfs/dbraw/zinc/01/38/37/499013837.db2.gz JIELHDJKODDCNL-HZPDHXFCSA-N 2 0 364.449 3.196 20 0 FGADRP C[NH+]1CCC(CC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)CC1 ZINC000291650505 499023566 /nfs/dbraw/zinc/02/35/66/499023566.db2.gz KPHSUOOVWZZZKW-HXUWFJFHSA-N 2 0 357.542 3.135 20 0 FGADRP COc1nccc(C[NH2+]C[C@@H]2CCN(C)[C@H]2c2ccc(Cl)c(F)c2)n1 ZINC000295520548 499041801 /nfs/dbraw/zinc/04/18/01/499041801.db2.gz VQKBRNDGGMSOCW-GUYCJALGSA-N 2 0 364.852 3.060 20 0 FGADRP CC(C)(O)c1ccc(C[NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)cc1 ZINC000295545245 499048017 /nfs/dbraw/zinc/04/80/17/499048017.db2.gz WPRMHULPCIIKNE-UHFFFAOYSA-N 2 0 368.521 3.161 20 0 FGADRP CC(C)Oc1ccc([C@H](C)[NH2+]C[C@H](C)N2CC[NH+](C)CC2)cc1Cl ZINC000284216097 499071030 /nfs/dbraw/zinc/07/10/30/499071030.db2.gz HAYWLOGGIKTDQU-HOTGVXAUSA-N 2 0 353.938 3.414 20 0 FGADRP Cn1cc([C@@H]2[C@@H](C[NH2+]Cc3ncc(C(C)(C)C)s3)CCCN2C)cn1 ZINC000363993214 499078145 /nfs/dbraw/zinc/07/81/45/499078145.db2.gz JVNDSPLNYVJNQN-KDOFPFPSSA-N 2 0 361.559 3.347 20 0 FGADRP C[C@H](c1ccc(Cl)cc1)N1CCN(C(=O)CC2CC[NH+](C)CC2)CC1 ZINC000291921858 499103404 /nfs/dbraw/zinc/10/34/04/499103404.db2.gz LVEBEPVRHHWBMG-MRXNPFEDSA-N 2 0 363.933 3.277 20 0 FGADRP C[C@@H](c1ccc(Cl)cc1)N1CCN(C(=O)CC2CC[NH+](C)CC2)CC1 ZINC000291921856 499103536 /nfs/dbraw/zinc/10/35/36/499103536.db2.gz LVEBEPVRHHWBMG-INIZCTEOSA-N 2 0 363.933 3.277 20 0 FGADRP Cc1ccc2cc(C[NH+]3CCC(C)(C[NH+]4CCN(C)CC4)CC3)ccc2n1 ZINC000364115051 499118097 /nfs/dbraw/zinc/11/80/97/499118097.db2.gz HDXYVXQIMKLLRD-UHFFFAOYSA-N 2 0 366.553 3.393 20 0 FGADRP COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+]C2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)cc1 ZINC000284525597 499120161 /nfs/dbraw/zinc/12/01/61/499120161.db2.gz WWLPWBDTELPOKT-FRUCCMOJSA-N 2 0 358.526 3.155 20 0 FGADRP C[NH+](C)CC1CCN(C(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000372488072 499134034 /nfs/dbraw/zinc/13/40/34/499134034.db2.gz WZPHZWSCKYWOIX-UHFFFAOYSA-N 2 0 357.542 3.089 20 0 FGADRP Cc1ccc(OCCC[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)cc1C ZINC000367027593 499136213 /nfs/dbraw/zinc/13/62/13/499136213.db2.gz GGJOUXVTUNTGMU-IFMALSPDSA-N 2 0 359.558 3.030 20 0 FGADRP C[NH+]1CCN(C[C@@H]2CCC[N@H+](Cc3cc(Cl)cc4cccnc43)C2)CC1 ZINC000367111299 499150642 /nfs/dbraw/zinc/15/06/42/499150642.db2.gz VUPLYCDEKCGDOC-KRWDZBQOSA-N 2 0 372.944 3.348 20 0 FGADRP CN1C[C@H](C[NH2+]C2CCN(CCC(F)(F)F)CC2)Cc2ccccc21 ZINC000372685110 499160683 /nfs/dbraw/zinc/16/06/83/499160683.db2.gz SIEGNZUOAAFAAG-HNNXBMFYSA-N 2 0 355.448 3.302 20 0 FGADRP Cc1ccc([C@H]2CSCC[N@H+]2CCCN2CC[NH+](C(C)C)CC2)o1 ZINC000370017538 499166957 /nfs/dbraw/zinc/16/69/57/499166957.db2.gz FSMGBSIYVBXXPV-GOSISDBHSA-N 2 0 351.560 3.094 20 0 FGADRP COc1ccc(NC(=[NH2+])NC[C@H]2CC[N@H+](C)[C@H]2c2cccs2)cc1OC ZINC000370163826 499191200 /nfs/dbraw/zinc/19/12/00/499191200.db2.gz UHDQTJDSNZZZAB-FZKQIMNGSA-N 2 0 374.510 3.395 20 0 FGADRP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(C(=O)N3CCCCC3)cc2)[C@@H]2CCC[C@H]21 ZINC000367605899 499216850 /nfs/dbraw/zinc/21/68/50/499216850.db2.gz IIAPBLUIRFPRDB-PCCBWWKXSA-N 2 0 355.526 3.275 20 0 FGADRP O=C(c1ccc(Cl)cc1)N1CCC([NH2+]CCC[NH+]2CCCCC2)CC1 ZINC000370578257 499233044 /nfs/dbraw/zinc/23/30/44/499233044.db2.gz UMEJIAXFSMHNFD-UHFFFAOYSA-N 2 0 363.933 3.410 20 0 FGADRP COc1ccncc1C[N@H+](C)C1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC000367813534 499235278 /nfs/dbraw/zinc/23/52/78/499235278.db2.gz HAEUIOOASAJAAZ-UHFFFAOYSA-N 2 0 369.513 3.413 20 0 FGADRP CC[N@@H+]1CC[C@H](NC[C@@H]2CCC[NH+](C)[C@H]2c2ccc(OC)cc2)[C@H](C)C1 ZINC000370620190 499236076 /nfs/dbraw/zinc/23/60/76/499236076.db2.gz MHIMCYVKNPKATC-HQMSXXKGSA-N 2 0 359.558 3.398 20 0 FGADRP Cc1nnc(N2CCC([NH2+][C@@H](C)[C@H]3CCC[N@@H+](C4CCC4)C3)CC2)s1 ZINC000367832129 499236835 /nfs/dbraw/zinc/23/68/35/499236835.db2.gz PFHHLFYCZYNQFA-HOCLYGCPSA-N 2 0 363.575 3.058 20 0 FGADRP C[C@H]1C[N@H+](Cc2cccc(-c3ccccn3)c2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000370695618 499245026 /nfs/dbraw/zinc/24/50/26/499245026.db2.gz BUIDNBHTHKQNMC-WMZHIEFXSA-N 2 0 364.537 3.206 20 0 FGADRP C[C@H]1CN(Cc2ccccc2OC(F)(F)F)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000370696473 499245150 /nfs/dbraw/zinc/24/51/50/499245150.db2.gz BZXYTWBPRKILBD-RDJZCZTQSA-N 2 0 371.447 3.043 20 0 FGADRP CC[N@@H+]1CC[C@H]([NH2+][C@H]2CC23CCN(C(=O)OC(C)(C)C)CC3)[C@H](C)C1 ZINC000368041472 499258531 /nfs/dbraw/zinc/25/85/31/499258531.db2.gz KKLISWSCVITCPN-IKGGRYGDSA-N 2 0 351.535 3.096 20 0 FGADRP COCCC1(C[N@@H+]2CCN(C3CC[NH+](C)CC3)[C@H](C)C2)CCCCC1 ZINC000368052708 499259893 /nfs/dbraw/zinc/25/98/93/499259893.db2.gz XWUFFHLIBGSEAD-LJQANCHMSA-N 2 0 351.579 3.074 20 0 FGADRP C[NH+]1CCC(CC(=O)N2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)CC1 ZINC000368064764 499260907 /nfs/dbraw/zinc/26/09/07/499260907.db2.gz NXZFIDKEWFZAON-UHFFFAOYSA-N 2 0 369.553 3.233 20 0 FGADRP C[C@H]1C[C@@H](CNC(=O)c2ccccc2C[NH+](C)C)C[N@@H+]1Cc1ccccc1 ZINC000368213420 499274392 /nfs/dbraw/zinc/27/43/92/499274392.db2.gz KXGBIHJHQARMOY-ICSRJNTNSA-N 2 0 365.521 3.389 20 0 FGADRP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@H]2CCCN(c3ccc(Cl)cc3Cl)C2=O)C1 ZINC000576360470 506139902 /nfs/dbraw/zinc/13/99/02/506139902.db2.gz SIDQPLXUCWCKAP-NFAWXSAZSA-N 2 0 356.297 3.348 20 0 FGADRP C(C[NH+]1CCCC1)C[NH+]1CCC2(C[C@H]2c2nnc3n2CCCCC3)CC1 ZINC000371184648 499296643 /nfs/dbraw/zinc/29/66/43/499296643.db2.gz ORKYYURYNSVKNJ-SFHVURJKSA-N 2 0 357.546 3.060 20 0 FGADRP O=C(Oc1ccccc1)N1CCC[C@H]([NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000368473536 499299539 /nfs/dbraw/zinc/29/95/39/499299539.db2.gz ICRFCYVCSQKGFN-ROUUACIJSA-N 2 0 357.498 3.114 20 0 FGADRP CO[C@H](C[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21)c1ccc(Cl)cc1 ZINC000368480904 499300503 /nfs/dbraw/zinc/30/05/03/499300503.db2.gz CRQJTDWZULFYFJ-WJFTUGDTSA-N 2 0 352.906 3.211 20 0 FGADRP COc1ccc(-c2nc(CN3CCO[C@@H]4C[C@@H]([NH+](C)C)CC[C@H]43)co2)cc1 ZINC000371292721 499306680 /nfs/dbraw/zinc/30/66/80/499306680.db2.gz DFUUPWPRYYDDQC-DFQSSKMNSA-N 2 0 371.481 3.034 20 0 FGADRP C[N@H+](C[C@@H]1CC12CC[NH+](CCc1nc(-c3ccccc3)no1)CC2)C1CC1 ZINC000371329508 499310625 /nfs/dbraw/zinc/31/06/25/499310625.db2.gz JWXLOTGOXDMOKL-SFHVURJKSA-N 2 0 366.509 3.475 20 0 FGADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC2(C[C@@H]2c2nnc3n2CCCCC3)CC1 ZINC000371329594 499310640 /nfs/dbraw/zinc/31/06/40/499310640.db2.gz KXWNHJMXSKEQGZ-ZWKOTPCHSA-N 2 0 357.546 3.058 20 0 FGADRP CC[NH+]1CCC(CC[NH2+][C@@H]2CCN(C(C)=O)Cc3cc(F)ccc32)CC1 ZINC000368637036 499316317 /nfs/dbraw/zinc/31/63/17/499316317.db2.gz UFDTYRGCYHAFDQ-OAQYLSRUSA-N 2 0 361.505 3.331 20 0 FGADRP C[N@@H+]1CC[C@@H](C[NH2+]C2CCN(c3nccs3)CC2)[C@@H]1c1ccccc1 ZINC000371519746 499337413 /nfs/dbraw/zinc/33/74/13/499337413.db2.gz NBHJNOXLVSZWBX-HKUYNNGSSA-N 2 0 356.539 3.395 20 0 FGADRP C[N@@H+]1CC[C@@H](C[NH2+]C2CCN(c3nccs3)CC2)[C@H]1c1ccccc1 ZINC000371519749 499337531 /nfs/dbraw/zinc/33/75/31/499337531.db2.gz NBHJNOXLVSZWBX-PKOBYXMFSA-N 2 0 356.539 3.395 20 0 FGADRP O=C(c1ccc(C[NH+]2CCCCC2)cc1)N1CCC([NH+]2CCCC2)CC1 ZINC000369016151 499357527 /nfs/dbraw/zinc/35/75/27/499357527.db2.gz MISJKQYQVNJGES-UHFFFAOYSA-N 2 0 355.526 3.373 20 0 FGADRP C[NH+](C)CCOc1ccc(C[NH2+][C@H]2CCC(=O)Nc3ccc(F)cc32)cc1 ZINC000371725354 499359321 /nfs/dbraw/zinc/35/93/21/499359321.db2.gz CZPAFWIXDSZDNZ-IBGZPJMESA-N 2 0 371.456 3.329 20 0 FGADRP Cc1cnc([C@H]2CCC[N@@H+](CCCN3CC[NH+](C(C)C)CC3)C2)s1 ZINC000369186442 499375754 /nfs/dbraw/zinc/37/57/54/499375754.db2.gz CUKLEANEYZXUTG-SFHVURJKSA-N 2 0 350.576 3.047 20 0 FGADRP Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+]CC2CC[NH+](CCN(C)C)CC2)C1 ZINC000369194353 499376047 /nfs/dbraw/zinc/37/60/47/499376047.db2.gz OZEHHSKOXHZUDU-NHCUHLMSSA-N 2 0 358.574 3.279 20 0 FGADRP Cc1cnc(C2CC[NH+](CCCN3CC[NH+](C(C)C)CC3)CC2)s1 ZINC000369215788 499378584 /nfs/dbraw/zinc/37/85/84/499378584.db2.gz QCDNGDXXEHRXBQ-UHFFFAOYSA-N 2 0 350.576 3.047 20 0 FGADRP C[C@H]([NH2+][C@H]1CCC12CCOCC2)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000369227253 499380212 /nfs/dbraw/zinc/38/02/12/499380212.db2.gz YOYTWKKZUVXKSA-JXFKEZNVSA-N 2 0 361.505 3.187 20 0 FGADRP Cc1nc2ccccc2n1C1CC[NH+](CC(=O)NC(C2CC2)C2CC2)CC1 ZINC000369534133 499414088 /nfs/dbraw/zinc/41/40/88/499414088.db2.gz YDWKJHJYVLKTCX-UHFFFAOYSA-N 2 0 366.509 3.286 20 0 FGADRP C[NH+]1CCC([C@@H]2CCN(C(=O)NCCCCC[NH+]3CCCCC3)C2)CC1 ZINC000372305450 499418812 /nfs/dbraw/zinc/41/88/12/499418812.db2.gz QJMCPZHBOPLZTM-HXUWFJFHSA-N 2 0 364.578 3.016 20 0 FGADRP CCc1cccc(CC)c1NC(=O)N1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000373177622 499455652 /nfs/dbraw/zinc/45/56/52/499455652.db2.gz PWIYUICRPZPGTN-QGZVFWFLSA-N 2 0 372.557 3.444 20 0 FGADRP C[NH+](C)C(C)(C)CNC(=O)C1CC[NH+](Cc2ccc(Cl)s2)CC1 ZINC000373376761 499466265 /nfs/dbraw/zinc/46/62/65/499466265.db2.gz JSHKNMOQIIPXDU-UHFFFAOYSA-N 2 0 357.951 3.070 20 0 FGADRP C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@H]1[NH2+]CCCCCC(=O)OC(C)(C)C ZINC000378182019 499488264 /nfs/dbraw/zinc/48/82/64/499488264.db2.gz FZFQAWXMKBLLNF-GUDVDZBRSA-N 2 0 368.562 3.368 20 0 FGADRP CN(c1ccccc1C[N@@H+]1CC[C@]2(C1)CCCOC2)C1CC[NH+](C)CC1 ZINC000375301188 499505020 /nfs/dbraw/zinc/50/50/20/499505020.db2.gz FKKXFURILDWORN-QFIPXVFZSA-N 2 0 357.542 3.220 20 0 FGADRP c1ccc2c(c1)[nH]c1c2C[C@@H]([NH2+]C2CCN(CCc3ccncc3)CC2)C1 ZINC000375585559 499535097 /nfs/dbraw/zinc/53/50/97/499535097.db2.gz UGDFTTQIZZKQBY-LJQANCHMSA-N 2 0 360.505 3.327 20 0 FGADRP O[C@@H]1CC[N@H+](Cc2ccccc2C[NH2+][C@@H]2CCC[C@H](c3cccnc3)C2)C1 ZINC000375593646 499536111 /nfs/dbraw/zinc/53/61/11/499536111.db2.gz YYOKFOAERJTNSP-CDNPAEQRSA-N 2 0 365.521 3.464 20 0 FGADRP O[C@@H]1CC[N@H+](Cc2ccccc2C[NH2+][C@@H]2CCC[C@@H](c3cccnc3)C2)C1 ZINC000375593649 499536120 /nfs/dbraw/zinc/53/61/20/499536120.db2.gz YYOKFOAERJTNSP-SXSPYAJSSA-N 2 0 365.521 3.464 20 0 FGADRP C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@@H]1[NH2+]CCCc1ccc2c(c1)CCO2 ZINC000375628196 499539044 /nfs/dbraw/zinc/53/90/44/499539044.db2.gz MZVMOVHVRGAHKY-UIFIKXQLSA-N 2 0 358.526 3.033 20 0 FGADRP C[C@H](C(=O)N1CCC[N@H+](Cc2ccccc2)C[C@@H]1C)[C@@H]([NH3+])c1ccccc1 ZINC000382766711 499545980 /nfs/dbraw/zinc/54/59/80/499545980.db2.gz VYQZYAKNTYFJFW-CNNODRBYSA-N 2 0 365.521 3.446 20 0 FGADRP C[C@H](CC(=O)N1CCC[N@H+](Cc2ccccc2)C[C@H]1C)[C@H]1CCC[NH2+]C1 ZINC000382732924 499546107 /nfs/dbraw/zinc/54/61/07/499546107.db2.gz DAHIGKXNTKNVRO-SBHAEUEKSA-N 2 0 357.542 3.135 20 0 FGADRP O[C@H](C[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1)COc1ccc(Cl)cc1 ZINC000388330959 499550676 /nfs/dbraw/zinc/55/06/76/499550676.db2.gz RNEFQWAQLJCCAR-AZUAARDMSA-N 2 0 374.912 3.191 20 0 FGADRP CC(C)c1nccn1[C@@H]1CCCN(CC(=O)NCc2ccc(F)cc2)C1 ZINC000375785223 499555507 /nfs/dbraw/zinc/55/55/07/499555507.db2.gz AYFJEALKTFQMDO-GOSISDBHSA-N 2 0 358.461 3.099 20 0 FGADRP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)CCN1C(=O)OC(C)(C)C ZINC000375838887 499560808 /nfs/dbraw/zinc/56/08/08/499560808.db2.gz KNUHOUVIZXLCOU-DUQPFJRNSA-N 2 0 351.535 3.237 20 0 FGADRP Oc1ccc2c(c1)[C@H]([NH2+]CC1(O)CC[NH+](Cc3ccccc3)CC1)CCC2 ZINC000397625327 499564778 /nfs/dbraw/zinc/56/47/78/499564778.db2.gz XTHORHKAUZQBAI-JOCHJYFZSA-N 2 0 366.505 3.386 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H](O)COCc1ccccc1 ZINC000397962203 499565759 /nfs/dbraw/zinc/56/57/59/499565759.db2.gz FOADEBGHVLUSRG-WTIAFYNJSA-N 2 0 368.521 3.064 20 0 FGADRP COc1cc(C[N@@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)ccc1SC ZINC000375902873 499566890 /nfs/dbraw/zinc/56/68/90/499566890.db2.gz GTDHSTBDHHIHRT-SFHVURJKSA-N 2 0 363.571 3.017 20 0 FGADRP C[NH+](C)Cc1c2ccccc2oc1C(=O)NC[C@@H]1[NH2+]CCc2ccccc21 ZINC000375958672 499571794 /nfs/dbraw/zinc/57/17/94/499571794.db2.gz QMOVSYJZJYPMDR-IBGZPJMESA-N 2 0 363.461 3.111 20 0 FGADRP Cc1cc(NC(=O)N2CCC([NH+](C)C)CC2)cnc1N1CCCC[C@H]1C ZINC000408158491 499578392 /nfs/dbraw/zinc/57/83/92/499578392.db2.gz LIIWFLFVMVDLOW-MRXNPFEDSA-N 2 0 359.518 3.327 20 0 FGADRP CCO[C@H]1C[C@@H]([NH2+]CCC2CC[NH+](C3CCN(C)CC3)CC2)C12CCC2 ZINC000376168589 499588558 /nfs/dbraw/zinc/58/85/58/499588558.db2.gz XLQDJWUOHLCIFI-RTWAWAEBSA-N 2 0 363.590 3.120 20 0 FGADRP c1nc([C@@H]2CCCN(c3ccnc(N4CCCCC4)n3)C2)n2c1CCCC2 ZINC000409649008 499611889 /nfs/dbraw/zinc/61/18/89/499611889.db2.gz APHSRFIZHSDNAU-QGZVFWFLSA-N 2 0 366.513 3.384 20 0 FGADRP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1NCc1ccc(OC(C)(C)C)nc1 ZINC000376823562 499637695 /nfs/dbraw/zinc/63/76/95/499637695.db2.gz PUXQQZJZTKUBDO-NZSAHSFTSA-N 2 0 361.530 3.238 20 0 FGADRP O=C(NCc1ccccc1Cn1ccnc1)c1cccc(Cn2ccnc2)c1 ZINC000410189088 499647820 /nfs/dbraw/zinc/64/78/20/499647820.db2.gz MTYBPXRNQIKNMH-UHFFFAOYSA-N 2 0 371.444 3.106 20 0 FGADRP CC[NH+](CC)CCNC(=O)NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000410374294 499658539 /nfs/dbraw/zinc/65/85/39/499658539.db2.gz MVUJGCKMTQZBIS-SFHVURJKSA-N 2 0 360.546 3.202 20 0 FGADRP CC(C)(C)[N@@H+]1C[C@@H](C(=O)Nc2cccc3nccn32)[C@H](C(F)(F)F)C1 ZINC000410527840 499666246 /nfs/dbraw/zinc/66/62/46/499666246.db2.gz KYEFOBUGYSBREE-VXGBXAGGSA-N 2 0 354.376 3.182 20 0 FGADRP C[C@@H](NC(=O)N1CCC([NH2+]C2CCCC2)CC1)[C@@H](c1ccccc1)[NH+](C)C ZINC000377266320 499675431 /nfs/dbraw/zinc/67/54/31/499675431.db2.gz PZUFYOJFZHJASX-UTKZUKDTSA-N 2 0 372.557 3.384 20 0 FGADRP C[C@@H](NC(=O)N1CCC([NH2+]C2CCCC2)CC1)[C@H](c1ccccc1)[NH+](C)C ZINC000377266318 499675469 /nfs/dbraw/zinc/67/54/69/499675469.db2.gz PZUFYOJFZHJASX-DYESRHJHSA-N 2 0 372.557 3.384 20 0 FGADRP O=C(Nc1ccn2ccnc2c1)[C@@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F ZINC000410876756 499683097 /nfs/dbraw/zinc/68/30/97/499683097.db2.gz MOWYXOAFTKNWBJ-KRWDZBQOSA-N 2 0 370.403 3.430 20 0 FGADRP C[NH+](C)[C@@H]1CCC[NH+](CCCCCC[N@H+]2CCC[C@H]([NH+](C)C)CC2)CC1 ZINC000377392031 499686217 /nfs/dbraw/zinc/68/62/17/499686217.db2.gz NVARBVJFIZKFDZ-SZPZYZBQSA-N 4 0 366.638 3.379 20 0 FGADRP CC(CCN1CCC[N@@H+](C(C)C)CC1)CC[NH+]1CCCN(C(C)C)CC1 ZINC000411219165 499712975 /nfs/dbraw/zinc/71/29/75/499712975.db2.gz PNTZYHHYVZFWDH-UHFFFAOYSA-N 2 0 366.638 3.235 20 0 FGADRP COc1ccc(C[N@@H+]2CCC[C@H](CN3CC[NH+](C)CC3)C2)c2ccccc12 ZINC000377629466 499713097 /nfs/dbraw/zinc/71/30/97/499713097.db2.gz RTPKCYMMEKHESB-LJQANCHMSA-N 2 0 367.537 3.308 20 0 FGADRP O=C1CCCN1C1CC[NH+](Cc2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC000411234900 499715479 /nfs/dbraw/zinc/71/54/79/499715479.db2.gz GHNPRKYLGSXBKN-UHFFFAOYSA-N 2 0 355.526 3.259 20 0 FGADRP C[C@@H](CC[NH+](C)[C@@H]1CCN(C)[C@H](C)C1)CC[N@H+](C)[C@@H]1CCN(C)[C@@H](C)C1 ZINC000411331406 499726578 /nfs/dbraw/zinc/72/65/78/499726578.db2.gz MMYCYJYKABSOMU-PVIWCNJMSA-N 2 0 366.638 3.232 20 0 FGADRP Cc1nnc([C@H]2CCC[N@H+](Cc3ccc(C[NH+]4CCCCC4)cc3)C2)[nH]1 ZINC000411344658 499727902 /nfs/dbraw/zinc/72/79/02/499727902.db2.gz JFSRMPZEVFSSEF-FQEVSTJZSA-N 2 0 353.514 3.479 20 0 FGADRP O=C1C[C@@H]([C@@H]2CCCC[N@@H+]2Cc2ccc(C[NH+]3CCCCC3)cc2)CN1 ZINC000411411062 499736623 /nfs/dbraw/zinc/73/66/23/499736623.db2.gz FOYGWELRLGAZAN-RTWAWAEBSA-N 2 0 355.526 3.163 20 0 FGADRP Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)[C@H]1CC[NH2+][C@H]1C(C)C ZINC000377816729 499738123 /nfs/dbraw/zinc/73/81/23/499738123.db2.gz KXZHLQXDRLXPPL-HKUYNNGSSA-N 2 0 361.555 3.116 20 0 FGADRP C[C@@H]1C[N@H+](CCn2ccc3cc(Cl)ccc32)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000377870041 499743871 /nfs/dbraw/zinc/74/38/71/499743871.db2.gz SADVVSVNHCEZSP-XLIONFOSSA-N 2 0 374.960 3.253 20 0 FGADRP CCN(C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000377908160 499747340 /nfs/dbraw/zinc/74/73/40/499747340.db2.gz RMJNUNGLSLCDLV-IZZBFERCSA-N 2 0 357.542 3.401 20 0 FGADRP NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+][C@H]2CC[C@@H](c3cccc(Cl)c3)C2)C1 ZINC000414131746 499763447 /nfs/dbraw/zinc/76/34/47/499763447.db2.gz YKJBJLXWZSCNSJ-LMMKCTJWSA-N 2 0 363.933 3.153 20 0 FGADRP CC[C@H]([NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1)c1ccc(Cl)s1 ZINC000414180483 499766470 /nfs/dbraw/zinc/76/64/70/499766470.db2.gz BGHBFCUTVXUCFB-HNNXBMFYSA-N 2 0 371.978 3.239 20 0 FGADRP COc1cccc2c1C[C@@H]([NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1)C2 ZINC000414190750 499767154 /nfs/dbraw/zinc/76/71/54/499767154.db2.gz ROACXSQFOLQZKL-LPHOPBHVSA-N 2 0 354.494 3.454 20 0 FGADRP CN1CCC2(CC[NH+](Cc3ccc(C[NH+]4CCCCC4)cc3)CC2)C1=O ZINC000411647263 499772691 /nfs/dbraw/zinc/77/26/91/499772691.db2.gz LNIYZYLCZJZACC-UHFFFAOYSA-N 2 0 355.526 3.117 20 0 FGADRP C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000414331854 499778508 /nfs/dbraw/zinc/77/85/08/499778508.db2.gz UNADYOFFHGPJBN-LFUKPOHLSA-N 2 0 357.542 3.298 20 0 FGADRP Cc1cc(C[NH2+]C2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)ccc1C(F)(F)F ZINC000414383715 499784152 /nfs/dbraw/zinc/78/41/52/499784152.db2.gz UOEMAUJTBJMLRZ-ROUUACIJSA-N 2 0 356.432 3.481 20 0 FGADRP OC1(C[NH2+]Cc2cc3ccc(F)cc3[nH]2)CC[NH+](Cc2ccccc2)CC1 ZINC000414529310 499803528 /nfs/dbraw/zinc/80/35/28/499803528.db2.gz VMZVJZZYTQCOPG-UHFFFAOYSA-N 2 0 367.468 3.424 20 0 FGADRP COc1ccc(C[NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)c(Cl)c1 ZINC000414550956 499807460 /nfs/dbraw/zinc/80/74/60/499807460.db2.gz OICBLRHYLNDMDN-UHFFFAOYSA-N 2 0 374.912 3.465 20 0 FGADRP Cc1ccc(C)c(C[NH2+]Cc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)c1 ZINC000414554361 499807758 /nfs/dbraw/zinc/80/77/58/499807758.db2.gz KIUFSSVGIISKET-UHFFFAOYSA-N 2 0 365.521 3.291 20 0 FGADRP COC(=O)[C@H]1CSCC[N@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000412084542 499821842 /nfs/dbraw/zinc/82/18/42/499821842.db2.gz TXNXFJRYRFSBEA-LJQANCHMSA-N 2 0 362.539 3.011 20 0 FGADRP CC[NH+]1CCN(c2ccccc2NC(=O)Nc2ccc([C@@H](C)[NH3+])cc2)CC1 ZINC000414731645 499824346 /nfs/dbraw/zinc/82/43/46/499824346.db2.gz HQCSWAMDAIUPGN-MRXNPFEDSA-N 2 0 367.497 3.492 20 0 FGADRP C[C@@H]1C[C@H](C[N@@H+]2CCCN(C(=O)Nc3cccc(Cl)c3)CC2)CC[NH2+]1 ZINC000414735259 499824785 /nfs/dbraw/zinc/82/47/85/499824785.db2.gz CFWSZVQTZBDMCM-HZPDHXFCSA-N 2 0 364.921 3.268 20 0 FGADRP C[C@@H]1C[C@@H](C[NH+]2CCN(C(=O)c3cc(Cl)cc(Cl)c3)CC2)CC[NH2+]1 ZINC000414737105 499825101 /nfs/dbraw/zinc/82/51/01/499825101.db2.gz NVWRWHNPBROQNJ-KGLIPLIRSA-N 2 0 370.324 3.139 20 0 FGADRP C[C@H]1C[C@H](C[NH+]2CCN(C(=O)c3c(Cl)cccc3Cl)CC2)CC[NH2+]1 ZINC000414747333 499826246 /nfs/dbraw/zinc/82/62/46/499826246.db2.gz MTZOGSQDLAPTDC-UONOGXRCSA-N 2 0 370.324 3.139 20 0 FGADRP CC(=O)NCC[N@H+](Cc1ccc(Cl)cc1Cl)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414752684 499826726 /nfs/dbraw/zinc/82/67/26/499826726.db2.gz LBZBJRSCJIXIHF-DZGCQCFKSA-N 2 0 372.340 3.320 20 0 FGADRP C[C@@H]1C[C@@H](C[NH+]2CCC([C@H]3C(=O)Nc4cc(Cl)ccc43)CC2)CC[NH2+]1 ZINC000414754776 499827191 /nfs/dbraw/zinc/82/71/91/499827191.db2.gz YKEFVPOJBUDAPY-BIENJYKASA-N 2 0 361.917 3.476 20 0 FGADRP COc1cc(Br)ccc1C[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414774662 499829526 /nfs/dbraw/zinc/82/95/26/499829526.db2.gz FREQCBNUISEODW-KGLIPLIRSA-N 2 0 353.304 3.279 20 0 FGADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]Cc1cc(Br)c2c(c1)OCCCO2 ZINC000414803727 499832937 /nfs/dbraw/zinc/83/29/37/499832937.db2.gz NXANANCWLUSOMM-ZFWWWQNUSA-N 2 0 369.303 3.218 20 0 FGADRP C[NH2+]C[C@H](C)C[NH2+]Cc1ccc(OCc2cn3cccc(C)c3n2)cc1 ZINC000414829029 499834993 /nfs/dbraw/zinc/83/49/93/499834993.db2.gz AERAAZUZIKKJSC-INIZCTEOSA-N 2 0 352.482 3.167 20 0 FGADRP C[NH+]1CCC2(CCCN2C(=O)c2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC000412221161 499835455 /nfs/dbraw/zinc/83/54/55/499835455.db2.gz DQYRQVSECGODPH-UHFFFAOYSA-N 2 0 355.526 3.373 20 0 FGADRP Clc1ccc(-n2cc(C[NH2+]CC[C@H]3CCC[NH2+]C3)nn2)cc1Cl ZINC000414833016 499835475 /nfs/dbraw/zinc/83/54/75/499835475.db2.gz FTNVLYRCYONQAQ-GFCCVEGCSA-N 2 0 354.285 3.053 20 0 FGADRP C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000414837465 499836089 /nfs/dbraw/zinc/83/60/89/499836089.db2.gz KDPISQHJLBPWGR-CVEARBPZSA-N 2 0 351.922 3.056 20 0 FGADRP C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000414839221 499836545 /nfs/dbraw/zinc/83/65/45/499836545.db2.gz LYVYZBGSEPILSO-ZIAGYGMSSA-N 2 0 368.319 3.146 20 0 FGADRP C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]CC1([NH3+])CCCCC1 ZINC000414848384 499837283 /nfs/dbraw/zinc/83/72/83/499837283.db2.gz VVDCGSGRQBOULU-OAHLLOKOSA-N 2 0 351.922 3.328 20 0 FGADRP CC1(C[NH2+]Cc2cn(-c3ccc(Cl)cc3Cl)nn2)CC[NH2+]CC1 ZINC000414910071 499843877 /nfs/dbraw/zinc/84/38/77/499843877.db2.gz SGKDEWKTFFWKCH-UHFFFAOYSA-N 2 0 354.285 3.053 20 0 FGADRP C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1cccc(C[NH+]2CCCCC2)c1 ZINC000412329505 499845218 /nfs/dbraw/zinc/84/52/18/499845218.db2.gz BLVRTAPCXUGRIG-WIYYLYMNSA-N 2 0 355.526 3.371 20 0 FGADRP Cc1cccn2cc(COc3ccc(C[NH2+][C@@H]4CC[NH2+]C[C@H]4C)cc3)nc12 ZINC000414933252 499846109 /nfs/dbraw/zinc/84/61/09/499846109.db2.gz DKLOXMFWVFVFJN-DYESRHJHSA-N 2 0 364.493 3.309 20 0 FGADRP [NH3+]C[C@H](NC(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1)C1CCCC1 ZINC000414968006 499849827 /nfs/dbraw/zinc/84/98/27/499849827.db2.gz QXSXEHIMIMLNPQ-FQEVSTJZSA-N 2 0 358.530 3.354 20 0 FGADRP C[C@@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000414980917 499850964 /nfs/dbraw/zinc/85/09/64/499850964.db2.gz XIXDZOLOIWLDDS-DOTOQJQBSA-N 2 0 351.922 3.199 20 0 FGADRP C[C@@H](CCc1ccc(Cl)s1)[NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000414993204 499852679 /nfs/dbraw/zinc/85/26/79/499852679.db2.gz UDGCQACDRKIMAZ-AAEUAGOBSA-N 2 0 369.884 3.148 20 0 FGADRP COc1ccc(Cn2nc(C)c(C[NH2+]C[C@@H]3CCC[C@@H]([NH3+])C3)c2C)cc1 ZINC000414996599 499852911 /nfs/dbraw/zinc/85/29/11/499852911.db2.gz GNFTWUVBMLFLJH-RTBURBONSA-N 2 0 356.514 3.164 20 0 FGADRP COc1cc(C[NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)ccc1OCC(F)(F)F ZINC000415023400 499855913 /nfs/dbraw/zinc/85/59/13/499855913.db2.gz KYWFZYSISMXPRR-HDJSIYSDSA-N 2 0 360.420 3.491 20 0 FGADRP [NH3+]C[C@@H]1CC[C@@H]([NH2+]Cc2cn(Cc3ccccc3)nc2-c2cccnc2)C1 ZINC000415029519 499856212 /nfs/dbraw/zinc/85/62/12/499856212.db2.gz DQPCZSZMSITTRX-WIYYLYMNSA-N 2 0 361.493 3.210 20 0 FGADRP C[NH+](C)CCOc1ccccc1CN[C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000415078154 499861421 /nfs/dbraw/zinc/86/14/21/499861421.db2.gz FQXSGRVKCKLZMW-NHCUHLMSSA-N 2 0 353.510 3.210 20 0 FGADRP Cc1nc(CN2CCC(C[NH2+][C@@H](C)C[C@H]3CCCCC[NH2+]3)CC2)oc1C ZINC000415093852 499862695 /nfs/dbraw/zinc/86/26/95/499862695.db2.gz WIJORMCGBLJDMI-OXJNMPFZSA-N 2 0 362.562 3.404 20 0 FGADRP Cc1nc(CN2CCC(C[NH2+][C@@H](C)C[C@@H]3CCCCC[NH2+]3)CC2)oc1C ZINC000415093851 499862756 /nfs/dbraw/zinc/86/27/56/499862756.db2.gz WIJORMCGBLJDMI-JXFKEZNVSA-N 2 0 362.562 3.404 20 0 FGADRP COc1cc(C[NH+]2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)ccc1SC ZINC000415121493 499866085 /nfs/dbraw/zinc/86/60/85/499866085.db2.gz IEEDMWRRNWFNGC-IRXDYDNUSA-N 2 0 350.528 3.135 20 0 FGADRP CCCOc1ccc(C[NH+]2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)cc1OC ZINC000415121381 499866108 /nfs/dbraw/zinc/86/61/08/499866108.db2.gz GYRDGYVZWVEQJV-NQIIRXRSSA-N 2 0 362.514 3.202 20 0 FGADRP Cc1ccc(C[NH+]2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)c(Br)c1 ZINC000415122360 499866476 /nfs/dbraw/zinc/86/64/76/499866476.db2.gz JWKRUAQDJRMEGH-WMZOPIPTSA-N 2 0 367.331 3.476 20 0 FGADRP C[C@H](C[C@H]1CCCCC[NH2+]1)Nc1ccccc1C[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000415123261 499866532 /nfs/dbraw/zinc/86/65/32/499866532.db2.gz PJTOUZFMWJMJQP-YZGWKJHDSA-N 2 0 372.557 3.107 20 0 FGADRP COc1ccc(C[C@H](C)C[NH+]2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)cc1F ZINC000415123954 499866744 /nfs/dbraw/zinc/86/67/44/499866744.db2.gz LUIURVLSLYIYAK-UQASEVPWSA-N 2 0 364.505 3.231 20 0 FGADRP [NH3+][C@H]1CCCO[C@H]1C1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000415126007 499867230 /nfs/dbraw/zinc/86/72/30/499867230.db2.gz LTDUGZMTXZEERU-IRXDYDNUSA-N 2 0 353.304 3.167 20 0 FGADRP CCCC[C@H](C[NH3+])NC(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000415309084 499885309 /nfs/dbraw/zinc/88/53/09/499885309.db2.gz MILQJEKOYUBHFL-GOSISDBHSA-N 2 0 362.518 3.190 20 0 FGADRP [NH3+]CC[C@H]1CCCN(C(=O)Nc2ccc(OCC[NH+]3CCCCC3)cc2)C1 ZINC000415311693 499885373 /nfs/dbraw/zinc/88/53/73/499885373.db2.gz RKUXCRRYNINMRQ-GOSISDBHSA-N 2 0 374.529 3.144 20 0 FGADRP C[NH2+]Cc1ccccc1NC(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1 ZINC000415901910 499926227 /nfs/dbraw/zinc/92/62/27/499926227.db2.gz NTKSXEURTHCQIF-UHFFFAOYSA-N 2 0 358.461 3.141 20 0 FGADRP C[NH2+]Cc1ccccc1NC(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000415915580 499928049 /nfs/dbraw/zinc/92/80/49/499928049.db2.gz ZILGIMUWPVQOIL-INIZCTEOSA-N 2 0 367.497 3.148 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)Nc1cccc(C[NH2+]C)c1)Cc1ccccc1 ZINC000415928056 499929322 /nfs/dbraw/zinc/92/93/22/499929322.db2.gz GPYODCFOWWGNFZ-OAQYLSRUSA-N 2 0 368.525 3.481 20 0 FGADRP CC[NH2+]Cc1cccc(NC(=O)N(CC[NH+](C)C)Cc2ccccc2)c1 ZINC000415930341 499929694 /nfs/dbraw/zinc/92/96/94/499929694.db2.gz IPHDKQRSJHMRMI-UHFFFAOYSA-N 2 0 354.498 3.392 20 0 FGADRP COc1cc2[nH+]ccc(N3C[C@@H]([NH+]4CCCC4)[C@@H](SC)C3)c2cc1OC ZINC000413232290 499930419 /nfs/dbraw/zinc/93/04/19/499930419.db2.gz OHOGSDFKEBZKGO-XLIONFOSSA-N 2 0 373.522 3.268 20 0 FGADRP C[NH+]1CCC(C)(CNC(=O)Nc2cc(C[NH3+])cc(C(F)(F)F)c2)CC1 ZINC000415950169 499932422 /nfs/dbraw/zinc/93/24/22/499932422.db2.gz HIUZRJKWDLADBX-UHFFFAOYSA-N 2 0 358.408 3.018 20 0 FGADRP C[NH2+]Cc1ccc(NC(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2)cc1 ZINC000415972588 499935496 /nfs/dbraw/zinc/93/54/96/499935496.db2.gz NCBWDZGHBILJHY-HXUWFJFHSA-N 2 0 352.482 3.192 20 0 FGADRP C[NH2+]Cc1ccc(NC(=O)N[C@@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)cc1 ZINC000415974187 499935853 /nfs/dbraw/zinc/93/58/53/499935853.db2.gz QERVMCLSMOGZHF-OXJNMPFZSA-N 2 0 352.482 3.363 20 0 FGADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000415976868 499936329 /nfs/dbraw/zinc/93/63/29/499936329.db2.gz VYDSXSHVZHDXKS-OLZOCXBDSA-N 2 0 372.435 3.406 20 0 FGADRP CCCC[N@H+](C)C[C@@H](C)NC(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000415979094 499936444 /nfs/dbraw/zinc/93/64/44/499936444.db2.gz ZFJORRUICDOEFX-GFCCVEGCSA-N 2 0 360.424 3.406 20 0 FGADRP CCc1ccccc1[C@H]([NH3+])CNC(=O)NCCCC[N@@H+]1CCCC[C@@H]1C ZINC000417042689 499956233 /nfs/dbraw/zinc/95/62/33/499956233.db2.gz LXDJICQJOKWKRG-FXAWDEMLSA-N 2 0 360.546 3.203 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)N[C@H](CCC[NH3+])c2ccccc2)C1 ZINC000417045981 499957136 /nfs/dbraw/zinc/95/71/36/499957136.db2.gz YXUCCIRVIJKHJY-WSTZPKSXSA-N 2 0 360.546 3.134 20 0 FGADRP CC(C[NH+]1CCOC[C@H](C2CCC2)C1)C[N@@H+]1CCOC[C@H](C2CCC2)C1 ZINC000429029962 499988293 /nfs/dbraw/zinc/98/82/93/499988293.db2.gz QPEGIVTUIYSHAG-FGZHOGPDSA-N 2 0 364.574 3.120 20 0 FGADRP C[C@H](CCCC[NH3+])NC(=O)NC[C@@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC000417220702 500009026 /nfs/dbraw/zinc/00/90/26/500009026.db2.gz YWHXDWPEEWTHGT-QUCCMNQESA-N 2 0 360.546 3.276 20 0 FGADRP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]CCNc1ncc(C(F)(F)F)cc1Cl ZINC000573315585 506170138 /nfs/dbraw/zinc/17/01/38/506170138.db2.gz FWNCBPRVJRUUTQ-STQMWFEESA-N 2 0 350.816 3.415 20 0 FGADRP O=C(C[NH+](C1CCC1)C1CCC1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000429135363 500010663 /nfs/dbraw/zinc/01/06/63/500010663.db2.gz SSESKAPTVITRAR-UHFFFAOYSA-N 2 0 355.526 3.306 20 0 FGADRP CC[C@@H]([NH3+])CNC(=O)NC[C@@H](c1ccc(C(F)(F)F)cc1)[NH+](CC)CC ZINC000417295221 500031646 /nfs/dbraw/zinc/03/16/46/500031646.db2.gz JMKHHQQLRKGXMM-CVEARBPZSA-N 2 0 374.451 3.125 20 0 FGADRP CN(c1ccccc1C[N@@H+]1CCC[C@H](CCO)CC1)C1CC[NH+](C)CC1 ZINC000421399674 500038614 /nfs/dbraw/zinc/03/86/14/500038614.db2.gz QOZJULQRADXNSX-IBGZPJMESA-N 2 0 359.558 3.202 20 0 FGADRP CC(C)(C[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)C1(O)CCOCC1 ZINC000417350991 500045967 /nfs/dbraw/zinc/04/59/67/500045967.db2.gz ATTXRQYFJVPJEV-PCCBWWKXSA-N 2 0 372.553 3.054 20 0 FGADRP O=C(NCc1ccc(C[NH+]2CCCCCC2)cc1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000417378861 500054224 /nfs/dbraw/zinc/05/42/24/500054224.db2.gz SZAPFECXCFEPPB-OAQYLSRUSA-N 2 0 370.541 3.099 20 0 FGADRP c1ccc(C[N@@H+]2CC[C@@H]3CN(c4cc(N5CCCCC5)ncn4)C[C@@H]32)cc1 ZINC000425272597 500061726 /nfs/dbraw/zinc/06/17/26/500061726.db2.gz GYHJPCJBSZURRU-UXHICEINSA-N 2 0 363.509 3.178 20 0 FGADRP CCc1ccccc1[C@H]([NH3+])CNC(=O)NCc1cccc(C[N@@H+](C)CC)c1 ZINC000417407327 500064178 /nfs/dbraw/zinc/06/41/78/500064178.db2.gz SKOOGLMSSAENSU-OAQYLSRUSA-N 2 0 368.525 3.200 20 0 FGADRP C[NH2+]C[C@H]1CCN(C(=O)c2cccc(C[N@H+](C)Cc3ccccc3)c2)C1 ZINC000429450641 500080555 /nfs/dbraw/zinc/08/05/55/500080555.db2.gz WQMBJDWPFALXLD-HXUWFJFHSA-N 2 0 351.494 3.000 20 0 FGADRP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@@H+](C)[C@@H]3CC[C@H](C)C3)CC2)cc1 ZINC000429564815 500103984 /nfs/dbraw/zinc/10/39/84/500103984.db2.gz GPDIOYYPMFWRSJ-PZJWPPBQSA-N 2 0 357.542 3.150 20 0 FGADRP O=C(NCCC[C@H]1CCC[NH2+]1)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000417621746 500127534 /nfs/dbraw/zinc/12/75/34/500127534.db2.gz LCVLZYQUVKYDJD-OAQYLSRUSA-N 2 0 372.557 3.394 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N1CC[C@@H]([C@@H](C)[NH3+])C1)c1ccccc1Cl ZINC000416842235 500135537 /nfs/dbraw/zinc/13/55/37/500135537.db2.gz MXZVOPACQGOQSL-IIDMSEBBSA-N 2 0 366.937 3.102 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)NC[C@@H]([NH3+])c1ccccc1)c1ccccc1 ZINC000416844453 500136154 /nfs/dbraw/zinc/13/61/54/500136154.db2.gz PZMWCNFCEUFZMI-WOJBJXKFSA-N 2 0 354.498 3.069 20 0 FGADRP CC[NH+](CC)Cc1ccc(CNC(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)cc1 ZINC000416879894 500146209 /nfs/dbraw/zinc/14/62/09/500146209.db2.gz DNKRASXOBJAXDU-IYARVYRRSA-N 2 0 360.546 3.093 20 0 FGADRP COC[C@H](O)C[NH2+]Cc1ccccc1-c1ccc(C[NH+]2CCCC2)cc1 ZINC000573358417 506179303 /nfs/dbraw/zinc/17/93/03/506179303.db2.gz MYJWKUMFDBGWCR-OAQYLSRUSA-N 2 0 354.494 3.046 20 0 FGADRP CC(C)[C@@H](C[NH2+][C@H](C)Cc1ccc(F)cc1Cl)N1CC[NH+](C)CC1 ZINC000421821400 500158896 /nfs/dbraw/zinc/15/88/96/500158896.db2.gz REOXHIHONGRXKV-DNVCBOLYSA-N 2 0 355.929 3.272 20 0 FGADRP C[C@H](CCC[NH3+])NC(=O)NCc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000416946290 500163662 /nfs/dbraw/zinc/16/36/62/500163662.db2.gz ARNQLFFLTKMMSM-QGZVFWFLSA-N 2 0 368.525 3.342 20 0 FGADRP C[NH2+]C[C@@H]1CCCN(C(=O)NCc2ccccc2C[N@@H+]2CCC[C@H](C)C2)C1 ZINC000416966663 500168520 /nfs/dbraw/zinc/16/85/20/500168520.db2.gz FVCQXCROPHUIST-OALUTQOASA-N 2 0 372.557 3.060 20 0 FGADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)NCCC[NH2+]C2CC2)cc1 ZINC000416969764 500170042 /nfs/dbraw/zinc/17/00/42/500170042.db2.gz CHKOGYDIVBJXKW-KRWDZBQOSA-N 2 0 358.530 3.002 20 0 FGADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)NC2(C)CC[NH2+]CC2)cc1 ZINC000416972099 500171228 /nfs/dbraw/zinc/17/12/28/500171228.db2.gz HVUBLYUFPKZGGN-KRWDZBQOSA-N 2 0 358.530 3.002 20 0 FGADRP C[C@@H]1CCN(C(=O)NCc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)C[C@H]1C[NH3+] ZINC000416975496 500172713 /nfs/dbraw/zinc/17/27/13/500172713.db2.gz MVNXMUMIHQZPBB-LVCYWYKZSA-N 2 0 372.557 3.187 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)N[C@H]3CC[C@@H](C[NH3+])C3)cc2)C1 ZINC000416981256 500174626 /nfs/dbraw/zinc/17/46/26/500174626.db2.gz CJUPXXORYHYPDX-OVQGTLEDSA-N 2 0 372.557 3.091 20 0 FGADRP C[C@H](CCCC[NH3+])NC(=O)NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000416984255 500174849 /nfs/dbraw/zinc/17/48/49/500174849.db2.gz XZSFWJXBJKAPAJ-MSOLQXFVSA-N 2 0 360.546 3.378 20 0 FGADRP CC(C)C[C@H](CNC(=O)NC[C@H]1CCC[NH2+]C1)[NH2+][C@H](C)c1ccccc1 ZINC000417864946 500187216 /nfs/dbraw/zinc/18/72/16/500187216.db2.gz BTMRXAJKWKXSGP-WSTZPKSXSA-N 2 0 360.546 3.051 20 0 FGADRP CCCC[N@H+](CC)Cc1cccc(CNC(=O)N2CCC[C@@H]([NH2+]C)C2)c1 ZINC000417881594 500190809 /nfs/dbraw/zinc/19/08/09/500190809.db2.gz RDPSMAKTTYHIKX-HXUWFJFHSA-N 2 0 360.546 3.202 20 0 FGADRP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)NCC1([NH3+])CCCCC1 ZINC000417896623 500194140 /nfs/dbraw/zinc/19/41/40/500194140.db2.gz PTSIKSKCJOIMTE-ROUUACIJSA-N 2 0 372.557 3.104 20 0 FGADRP CCn1cncc1C[NH2+][C@@H](C)c1cc(F)ccc1N1CC[NH+](CC)CC1 ZINC000417907510 500196022 /nfs/dbraw/zinc/19/60/22/500196022.db2.gz FLIYMRYGOAYXPO-INIZCTEOSA-N 2 0 359.493 3.035 20 0 FGADRP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)N[C@H](CCC[NH3+])c2ccccc2)C1 ZINC000417918761 500197756 /nfs/dbraw/zinc/19/77/56/500197756.db2.gz YJOHCXKEWGUUJJ-AZUAARDMSA-N 2 0 360.546 3.134 20 0 FGADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)NCC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000417919344 500198239 /nfs/dbraw/zinc/19/82/39/500198239.db2.gz FSSAAMLZUKTVGS-HMXCVIKNSA-N 2 0 374.573 3.302 20 0 FGADRP CCC1(CNC(=O)N2CCC[C@H]2C[NH2+]C)CC[NH+](Cc2ccccc2)CC1 ZINC000417927317 500199399 /nfs/dbraw/zinc/19/93/99/500199399.db2.gz PSVGFRUCJRVDOP-FQEVSTJZSA-N 2 0 372.557 3.072 20 0 FGADRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000418150637 500237565 /nfs/dbraw/zinc/23/75/65/500237565.db2.gz DCCGFGOVKNWBGL-VQTJNVASSA-N 2 0 374.573 3.302 20 0 FGADRP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000418156871 500238592 /nfs/dbraw/zinc/23/85/92/500238592.db2.gz NUDDEDGIHRBRJJ-AABGKKOBSA-N 2 0 372.557 3.104 20 0 FGADRP C[NH+](C)CCN(CC1CCCCC1)C(=O)NC1CCC([NH+](C)C)CC1 ZINC000422244849 500240242 /nfs/dbraw/zinc/24/02/42/500240242.db2.gz NPMBVQLKWIPNTK-UHFFFAOYSA-N 2 0 352.567 3.013 20 0 FGADRP Cc1ccccc1[C@H]([C@@H](C)NC(=O)NC[C@H]1CC[C@H](C[NH3+])CC1)[NH+](C)C ZINC000418175061 500242921 /nfs/dbraw/zinc/24/29/21/500242921.db2.gz FUIAEEXEAFTWCF-MLYOOKFZSA-N 2 0 360.546 3.051 20 0 FGADRP CCC[N@H+](C)[C@H](CNC(=O)N1C[C@@H](C[NH3+])C[C@H]1C)c1ccc(Cl)cc1 ZINC000418177565 500243546 /nfs/dbraw/zinc/24/35/46/500243546.db2.gz HUXIRGXIDDBEIC-IIDMSEBBSA-N 2 0 366.937 3.102 20 0 FGADRP CCC[N@H+](C)[C@H](CNC(=O)N1CC[C@@H]([C@H](C)[NH3+])C1)c1ccc(Cl)cc1 ZINC000418185260 500244877 /nfs/dbraw/zinc/24/48/77/500244877.db2.gz QWTOEIQTTBQELV-YXJHDRRASA-N 2 0 366.937 3.102 20 0 FGADRP CC(C)Cc1ccc([C@H](CNC(=O)N2CCC([C@H](C)[NH3+])CC2)[NH+](C)C)cc1 ZINC000418188235 500245445 /nfs/dbraw/zinc/24/54/45/500245445.db2.gz GEPSLVCXNKINID-UWJYYQICSA-N 2 0 374.573 3.257 20 0 FGADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000418231555 500253095 /nfs/dbraw/zinc/25/30/95/500253095.db2.gz GQHBHXVGLMOLPS-NHCUHLMSSA-N 2 0 374.573 3.304 20 0 FGADRP CC(C)[C@@H]([NH3+])CC[N@H+](C)CCC(=O)Nc1ccc(Br)cc1F ZINC000430577668 500257376 /nfs/dbraw/zinc/25/73/76/500257376.db2.gz CYMIOUWVBGYKMO-AWEZNQCLSA-N 2 0 374.298 3.222 20 0 FGADRP [NH3+]C[C@@H]1CCC[N@H+](CCC(=O)Nc2ccc(Oc3ccccc3)cc2)C1 ZINC000430609051 500261610 /nfs/dbraw/zinc/26/16/10/500261610.db2.gz GIXYIUCIFGBOMX-KRWDZBQOSA-N 2 0 353.466 3.478 20 0 FGADRP CC[N@H+](CCC1CCN(C(=O)N[C@@H](C)[C@H]2CCC[NH2+]C2)CC1)CC(C)C ZINC000418348043 500266760 /nfs/dbraw/zinc/26/67/60/500266760.db2.gz QYDAMKDHVANDLZ-ICSRJNTNSA-N 2 0 366.594 3.164 20 0 FGADRP CCCC[N@H+](C)CC1CCN(C(=O)N[C@@H](C[NH3+])C2CCCCC2)CC1 ZINC000418352283 500266938 /nfs/dbraw/zinc/26/69/38/500266938.db2.gz BVMMKIRUFRCQJS-IBGZPJMESA-N 2 0 352.567 3.048 20 0 FGADRP CCN(C(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000418356144 500267683 /nfs/dbraw/zinc/26/76/83/500267683.db2.gz XLHQOSQMYAYQNF-JYRKZWEQSA-N 2 0 372.557 3.242 20 0 FGADRP [NH3+]C[C@H](NC(=O)N[C@H](C[NH3+])c1ccc2ccccc2c1)C1CCCCC1 ZINC000418394083 500271666 /nfs/dbraw/zinc/27/16/66/500271666.db2.gz XJZFRLFFJXIWIM-VQTJNVASSA-N 2 0 354.498 3.046 20 0 FGADRP CC[NH+](CC)CCCC1CCN(C(=O)N[C@@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000418407570 500272899 /nfs/dbraw/zinc/27/28/99/500272899.db2.gz FVRSIANSHKHJQF-RBUKOAKNSA-N 2 0 352.567 3.048 20 0 FGADRP [NH3+][C@H]1CCCCCC[C@H]1C(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000430707622 500273057 /nfs/dbraw/zinc/27/30/57/500273057.db2.gz QDGUNIZYYQOELV-RTWAWAEBSA-N 2 0 373.541 3.075 20 0 FGADRP CCC([NH3+])(CC)CNC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000418426731 500275493 /nfs/dbraw/zinc/27/54/93/500275493.db2.gz MNEMAXVEDPAFKJ-PMACEKPBSA-N 2 0 372.557 3.200 20 0 FGADRP CCCC[C@H](C[NH3+])NC(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000418471566 500280444 /nfs/dbraw/zinc/28/04/44/500280444.db2.gz RRSXSVJQNRTSJW-IFMALSPDSA-N 2 0 372.557 3.202 20 0 FGADRP CN1CC[NH+](CC2(C)CC[NH+](CCSCc3ccccc3)CC2)CC1 ZINC000430775663 500283153 /nfs/dbraw/zinc/28/31/53/500283153.db2.gz HLBQNVWAPPOEQB-UHFFFAOYSA-N 2 0 361.599 3.269 20 0 FGADRP CCC[NH+]1CCC(N(C)C(=O)N[C@@H](C[NH3+])c2ccc3ccccc3c2)CC1 ZINC000418497839 500284373 /nfs/dbraw/zinc/28/43/73/500284373.db2.gz IJNOQHYVUAGRLZ-NRFANRHFSA-N 2 0 368.525 3.355 20 0 FGADRP CCCN(CC[NH+]1CCCC1)C(=O)N[C@H](C[NH3+])c1ccc2ccccc2c1 ZINC000418500102 500285181 /nfs/dbraw/zinc/28/51/81/500285181.db2.gz NNNKVMAHCZFBME-OAQYLSRUSA-N 2 0 368.525 3.357 20 0 FGADRP c1ccc(NCCCC[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)nc1 ZINC000422701662 500286910 /nfs/dbraw/zinc/28/69/10/500286910.db2.gz IYZZXPJXGJHFJS-NQIIRXRSSA-N 2 0 352.482 3.119 20 0 FGADRP CCOC(=O)C1([C@@H](C)[NH2+]Cc2ccccc2OC2CCCC2)CC[NH2+]CC1 ZINC000422698410 500287285 /nfs/dbraw/zinc/28/72/85/500287285.db2.gz ZEQBQCOCVUPGQB-QGZVFWFLSA-N 2 0 374.525 3.419 20 0 FGADRP Cc1ccc(C(=O)Nc2cccc(C[NH2+][C@@H]3CCOC[C@@H]3[C@@H](C)[NH3+])c2)cc1 ZINC000422708265 500287936 /nfs/dbraw/zinc/28/79/36/500287936.db2.gz ISUXCJXUNATJKY-MAODMQOUSA-N 2 0 367.493 3.089 20 0 FGADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000422719273 500289088 /nfs/dbraw/zinc/28/90/88/500289088.db2.gz YFWXEYVNZCPNOF-YSVLISHTSA-N 2 0 352.320 3.135 20 0 FGADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000422724750 500289872 /nfs/dbraw/zinc/28/98/72/500289872.db2.gz WNTHACZFMLCWBA-JTSKRJEESA-N 2 0 355.501 3.338 20 0 FGADRP CCOC(=O)C1([C@H](C)[NH2+]CCc2cc(Cl)cc(Cl)c2)CC[NH2+]CC1 ZINC000422721364 500290153 /nfs/dbraw/zinc/29/01/53/500290153.db2.gz VEBNILVSNKWUIF-ZDUSSCGKSA-N 2 0 373.324 3.447 20 0 FGADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000422727629 500290866 /nfs/dbraw/zinc/29/08/66/500290866.db2.gz HQPYJPOMQZAHJQ-CGTJXYLNSA-N 2 0 355.448 3.387 20 0 FGADRP CCOC(=O)C1([C@H](C)[NH2+]CCc2c(Cl)cccc2Cl)CC[NH2+]CC1 ZINC000422739358 500292633 /nfs/dbraw/zinc/29/26/33/500292633.db2.gz LFSBETFMXAQIPW-ZDUSSCGKSA-N 2 0 373.324 3.447 20 0 FGADRP CCOC(=O)C1([C@H](C)[NH2+][C@@H](C)c2ccc(F)cc2Cl)CC[NH2+]CC1 ZINC000422750869 500293984 /nfs/dbraw/zinc/29/39/84/500293984.db2.gz DSHGRRBJKLBWIY-STQMWFEESA-N 2 0 356.869 3.451 20 0 FGADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C[C@H](c1ccc(F)cc1)N1CCOCC1 ZINC000422753218 500294081 /nfs/dbraw/zinc/29/40/81/500294081.db2.gz FVPBTCBNDUNNMV-DUXKGJEZSA-N 2 0 363.521 3.099 20 0 FGADRP C[C@@H](NCC1([NH2+][C@H](C)c2ccccc2)CCOCC1)c1c[nH+]ccc1N ZINC000422759369 500294589 /nfs/dbraw/zinc/29/45/89/500294589.db2.gz JVRYRIUETHUXQM-IAGOWNOFSA-N 2 0 354.498 3.045 20 0 FGADRP C[C@H](NC[C@H]1CCC[N@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1)C1C[NH2+]C1 ZINC000422757739 500294694 /nfs/dbraw/zinc/29/46/94/500294694.db2.gz IXBDFHKFTYBYRB-JOQOYGCGSA-N 2 0 355.448 3.286 20 0 FGADRP Cc1ccc([C@H](C[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)N(C)C)cc1 ZINC000422786361 500297261 /nfs/dbraw/zinc/29/72/61/500297261.db2.gz QGXPQEIJDMTEHV-GIWBLDEGSA-N 2 0 365.521 3.443 20 0 FGADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@@H]1CCCN(c2ccccc2Cl)C1=O ZINC000422789480 500298230 /nfs/dbraw/zinc/29/82/30/500298230.db2.gz WWQKKFPBKOXGTD-RDTXWAMCSA-N 2 0 372.900 3.348 20 0 FGADRP COc1ccc(OC)c(C[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000422800543 500299639 /nfs/dbraw/zinc/29/96/39/500299639.db2.gz CDTSIJIFQLJBJP-WIYYLYMNSA-N 2 0 354.450 3.049 20 0 FGADRP CCOC(=O)C1([C@H](C)[NH2+][C@@H](C)c2ccccc2OC(F)F)CC[NH2+]CC1 ZINC000422802935 500299894 /nfs/dbraw/zinc/29/98/94/500299894.db2.gz IAHAQGVIRUYOTN-KBPBESRZSA-N 2 0 370.440 3.260 20 0 FGADRP Cc1cccc(N2CC[NH+](CCCC[NH2+]C3CCC(C[NH3+])CC3)CC2)c1 ZINC000422803026 500300664 /nfs/dbraw/zinc/30/06/64/500300664.db2.gz CHEXUVARRUCNJK-UHFFFAOYSA-N 3 0 358.574 3.004 20 0 FGADRP [NH3+]CC1CCC([NH2+]CCCOC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000422814853 500301130 /nfs/dbraw/zinc/30/11/30/500301130.db2.gz AHSNDMZNHLURFD-UHFFFAOYSA-N 3 0 359.558 3.165 20 0 FGADRP c1ccc(N2CCN(CCC[NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCCC[NH2+]3)CC2)cc1 ZINC000422814792 500301194 /nfs/dbraw/zinc/30/11/94/500301194.db2.gz WDOPUYQWVVHELW-XPWALMASSA-N 2 0 370.585 3.099 20 0 FGADRP CC[C@@H]1Oc2cc([C@@H](C)[NH2+][C@@H](C)c3ccc(C[NH3+])nc3C)ccc2NC1=O ZINC000422812782 500301225 /nfs/dbraw/zinc/30/12/25/500301225.db2.gz QXVIWQXXVDSRDT-NQCMUKECSA-N 2 0 368.481 3.370 20 0 FGADRP CC[C@@H]1Oc2cc([C@H](C)[NH2+][C@H](C)c3ccc(C[NH3+])nc3C)ccc2NC1=O ZINC000422812784 500301376 /nfs/dbraw/zinc/30/13/76/500301376.db2.gz QXVIWQXXVDSRDT-QUJCMNEKSA-N 2 0 368.481 3.370 20 0 FGADRP c1cc(C[NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)cc(C[NH+]2CCCCCC2)c1 ZINC000422824679 500302568 /nfs/dbraw/zinc/30/25/68/500302568.db2.gz HVJLFYSAVVFJLT-YTFSRNRJSA-N 3 0 371.569 3.309 20 0 FGADRP CCC(CC)[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1)N1CCOCC1 ZINC000422821637 500302693 /nfs/dbraw/zinc/30/26/93/500302693.db2.gz XQGWAJAQFRMHSG-MHTWAQMVSA-N 2 0 351.579 3.024 20 0 FGADRP [NH3+]CCC[C@@H](NC(=O)N[C@@H](CCC[NH3+])c1ccccc1)c1ccccc1 ZINC000418665134 500304065 /nfs/dbraw/zinc/30/40/65/500304065.db2.gz DUAUDUCWQUUSKH-BGYRXZFFSA-N 2 0 354.498 3.246 20 0 FGADRP COc1ccccc1N1CCC([NH2+][C@@H](C)c2ccc(C[NH3+])nc2C)CC1 ZINC000422842893 500304821 /nfs/dbraw/zinc/30/48/21/500304821.db2.gz ZLKMKAPEMRUQDS-HNNXBMFYSA-N 2 0 354.498 3.177 20 0 FGADRP Cc1cccc(COc2ccc(C[NH2+][C@@H]3CCOC[C@H]3[C@H](C)[NH3+])cc2)c1 ZINC000422841555 500304946 /nfs/dbraw/zinc/30/49/46/500304946.db2.gz DCKGTGBHYISXJO-BULFRSBZSA-N 2 0 354.494 3.416 20 0 FGADRP CC[C@H](C[NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1)Oc1ccccc1Cl ZINC000422842963 500304982 /nfs/dbraw/zinc/30/49/82/500304982.db2.gz ZXFDLVFXNDPSOC-JOCBIADPSA-N 2 0 352.906 3.244 20 0 FGADRP CCCC[C@H]([NH2+][C@H](C)C[C@@H](C)[NH3+])C(=O)Nc1cccc(N2CCCC2)c1 ZINC000422859583 500306378 /nfs/dbraw/zinc/30/63/78/500306378.db2.gz KMEONLVJUXRBQL-HLIPFELVSA-N 2 0 360.546 3.500 20 0 FGADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]Cc1ccc(-c2nc3ccccc3s2)o1 ZINC000422858777 500306427 /nfs/dbraw/zinc/30/64/27/500306427.db2.gz JFWLJGAOVSUCOY-QEJZJMRPSA-N 2 0 357.479 3.398 20 0 FGADRP CCOC(=O)C1([C@H](C)[NH2+][C@@H](C)c2nc(C(C)(C)C)cs2)CC[NH2+]CC1 ZINC000422864210 500307546 /nfs/dbraw/zinc/30/75/46/500307546.db2.gz UPTQLAHPDUQWEF-KBPBESRZSA-N 2 0 367.559 3.413 20 0 FGADRP CCOC(=O)C1([C@@H](C)[NH2+][C@@H](C)c2cccc(OC(F)F)c2)CC[NH2+]CC1 ZINC000422880086 500309511 /nfs/dbraw/zinc/30/95/11/500309511.db2.gz LPCYESBPWUQEIK-UONOGXRCSA-N 2 0 370.440 3.260 20 0 FGADRP C[C@H]([NH3+])C1CC[NH+](CC(=O)N(Cc2ccccc2)c2ccccc2)CC1 ZINC000430937161 500309513 /nfs/dbraw/zinc/30/95/13/500309513.db2.gz ZPSFQDACQHIGDO-SFHVURJKSA-N 2 0 351.494 3.279 20 0 FGADRP C[C@@H]([NH3+])C1CC[NH+]([C@H](C)C(=O)NC(c2ccccc2)c2ccccc2)CC1 ZINC000430934386 500309814 /nfs/dbraw/zinc/30/98/14/500309814.db2.gz MDNLMPUOWXRJEL-QZTJIDSGSA-N 2 0 365.521 3.340 20 0 FGADRP C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)N1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000430940187 500310204 /nfs/dbraw/zinc/31/02/04/500310204.db2.gz JCXVFAXDWUUGQF-SOLBZPMBSA-N 2 0 353.466 3.475 20 0 FGADRP C[C@@H]([NH3+])C1CC[NH+]([C@H](C)C(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)CC1 ZINC000430939726 500310795 /nfs/dbraw/zinc/31/07/95/500310795.db2.gz MHOYNKNCHJNVLE-IXDOHACOSA-N 2 0 357.542 3.190 20 0 FGADRP CCOC(=O)C1([C@H](C)[NH2+][C@H](C)c2ccc(OC(C)C)cc2)CC[NH2+]CC1 ZINC000422888947 500311477 /nfs/dbraw/zinc/31/14/77/500311477.db2.gz DZHKIUKSHYXDMR-SJORKVTESA-N 2 0 362.514 3.446 20 0 FGADRP COc1ccc(C2(C[NH2+][C@H](C)c3ccc(C[NH3+])nc3C)CCOCC2)cc1 ZINC000422895146 500312419 /nfs/dbraw/zinc/31/24/19/500312419.db2.gz FDEKYHLZSSEQQR-MRXNPFEDSA-N 2 0 369.509 3.256 20 0 FGADRP C[C@H]([NH2+]C[C@@H]1CCN(c2cccc(Br)c2)C1)[C@@H]1CCC[NH2+]1 ZINC000422896132 500312552 /nfs/dbraw/zinc/31/25/52/500312552.db2.gz HJRHXXRKENNBBA-ZQIUZPCESA-N 2 0 352.320 3.006 20 0 FGADRP COc1ccc(Cl)cc1C1(C[NH2+][C@H]2CCC[C@@H]2C[NH3+])CCOCC1 ZINC000422899202 500313094 /nfs/dbraw/zinc/31/30/94/500313094.db2.gz GZSOTUPDLCEVGR-PBHICJAKSA-N 2 0 352.906 3.114 20 0 FGADRP COc1ccc(Cl)cc1N1CC[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000422911866 500315451 /nfs/dbraw/zinc/31/54/51/500315451.db2.gz UPJACYFGNOZODP-XWTMOSNGSA-N 2 0 363.933 3.438 20 0 FGADRP C[NH2+]CC1CC[NH+](Cc2csc(-c3ccc(OC)cc3OC)n2)CC1 ZINC000430973642 500316149 /nfs/dbraw/zinc/31/61/49/500316149.db2.gz XXAMEBRFCMISMC-UHFFFAOYSA-N 2 0 361.511 3.259 20 0 FGADRP O=C(c1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)cc1)N1CCCCC1 ZINC000422926205 500317650 /nfs/dbraw/zinc/31/76/50/500317650.db2.gz CSWYVBFOXKOABD-NJDAHSKKSA-N 2 0 355.526 3.323 20 0 FGADRP Fc1ccc2c(c1)[C@H]([NH2+][C@H]1C[C@]3(CC[NH2+]C3)Oc3ccccc31)CCO2 ZINC000422958092 500324205 /nfs/dbraw/zinc/32/42/05/500324205.db2.gz ONQKXXZOYSHKBC-LQWHRVPQSA-N 2 0 354.425 3.495 20 0 FGADRP Cn1cc(-c2cccc(C[NH2+][C@H]3C[C@]4(CC[NH2+]C4)Oc4ccccc43)c2)cn1 ZINC000422961456 500324559 /nfs/dbraw/zinc/32/45/59/500324559.db2.gz CBCYDHGIRKYCEX-GMAHTHKFSA-N 2 0 374.488 3.433 20 0 FGADRP [NH3+][C@H]1C[C@H](Nc2cccc(C[NH+]3CCC(CO)CC3)c2)c2ccccc21 ZINC000422977588 500325939 /nfs/dbraw/zinc/32/59/39/500325939.db2.gz FXKNAJNKKRRKOM-VXKWHMMOSA-N 2 0 351.494 3.448 20 0 FGADRP C[C@H](C(=O)Nc1cccc(C(F)(F)F)c1)[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000431033684 500326527 /nfs/dbraw/zinc/32/65/27/500326527.db2.gz QZTNKHODMBABEW-CYBMUJFWSA-N 2 0 355.404 3.108 20 0 FGADRP c1ccc2c(c1)CCC[C@@H]2OCCC[NH2+][C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC000422984191 500327113 /nfs/dbraw/zinc/32/71/13/500327113.db2.gz XKYWRGNRXUFCKU-CBPXPLCBSA-N 2 0 358.526 3.217 20 0 FGADRP C[C@H](C[NH2+][C@@H](Cc1ccccc1)[C@H](C)[NH3+])c1nc(-c2ccccc2)no1 ZINC000423016570 500331132 /nfs/dbraw/zinc/33/11/32/500331132.db2.gz UAHFHVJFTDVXQQ-GJYPPUQNSA-N 2 0 350.466 3.388 20 0 FGADRP CN1CC[C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@H]1c1ccc(Cl)c(F)c1 ZINC000423021240 500331553 /nfs/dbraw/zinc/33/15/53/500331553.db2.gz DTLYNFSVZFCAJE-MJAJVGOYSA-N 2 0 351.897 3.345 20 0 FGADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]C[C@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000423020891 500331604 /nfs/dbraw/zinc/33/16/04/500331604.db2.gz DBQBZETUPLDXNT-OYYCAODRSA-N 2 0 353.913 3.450 20 0 FGADRP FC(F)(F)c1cccc(OCC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)n1 ZINC000423017843 500331856 /nfs/dbraw/zinc/33/18/56/500331856.db2.gz XFVALJRAVNZUJC-RRFJBIMHSA-N 2 0 357.420 3.380 20 0 FGADRP Clc1ccc(COCC[NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)c(Cl)c1 ZINC000423026798 500332299 /nfs/dbraw/zinc/33/22/99/500332299.db2.gz OEKBXGMQYAQKMA-BPQIPLTHSA-N 2 0 373.324 3.257 20 0 FGADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CCCc1nc(-c2ccc(F)cc2)no1 ZINC000423027509 500332574 /nfs/dbraw/zinc/33/25/74/500332574.db2.gz DJCFWEINIFISLQ-CYBMUJFWSA-N 2 0 369.444 3.321 20 0 FGADRP CCN1CC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000423034946 500333313 /nfs/dbraw/zinc/33/33/13/500333313.db2.gz QVHRFFXYSARMEN-KRWGERCISA-N 2 0 353.432 3.112 20 0 FGADRP c1ccc(COCCC2(C[NH2+][C@@H]3CCOC[C@H]3[C@@H]3CCC[NH2+]3)CC2)cc1 ZINC000423052486 500335870 /nfs/dbraw/zinc/33/58/70/500335870.db2.gz QBLRJHCBECDAJK-PCCBWWKXSA-N 2 0 358.526 3.120 20 0 FGADRP CCOC(=O)C1([C@H](C)[NH2+][C@@H]2CC[C@H](Cc3ccccc3)C2)CC[NH2+]CC1 ZINC000423055499 500336276 /nfs/dbraw/zinc/33/62/76/500336276.db2.gz DCKUPSGTRDHHMB-DFQSSKMNSA-N 2 0 358.526 3.309 20 0 FGADRP CCOC(=O)C1([C@H](C)[NH2+][C@@H]2CC[C@@H](Cc3ccccc3)C2)CC[NH2+]CC1 ZINC000423055505 500336298 /nfs/dbraw/zinc/33/62/98/500336298.db2.gz DCKUPSGTRDHHMB-YSIASYRMSA-N 2 0 358.526 3.309 20 0 FGADRP C[C@H](CCCC[NH3+])[NH2+]C1CCN(C(=O)c2ccccc2C(F)(F)F)CC1 ZINC000423056988 500336935 /nfs/dbraw/zinc/33/69/35/500336935.db2.gz YQCXWYVLHMOXBT-CQSZACIVSA-N 2 0 371.447 3.417 20 0 FGADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCCOc1ccc(C(F)(F)F)cn1 ZINC000423078488 500339430 /nfs/dbraw/zinc/33/94/30/500339430.db2.gz OPDZYFZSYJVQAJ-YOEHRIQHSA-N 2 0 367.415 3.417 20 0 FGADRP C[C@H](CCc1ccc(I)cc1)[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000423093116 500341148 /nfs/dbraw/zinc/34/11/48/500341148.db2.gz FUZZLIKQSNCNOC-CZUORRHYSA-N 2 0 372.294 3.344 20 0 FGADRP CCC1(CNC(=O)[C@H]2CCC[N@@H+]2C2CC2)CC[NH+](Cc2ccccc2)CC1 ZINC000426990384 500341881 /nfs/dbraw/zinc/34/18/81/500341881.db2.gz HYTISTDWMOJMNL-OAQYLSRUSA-N 2 0 369.553 3.422 20 0 FGADRP COC[C@@H](CCC[NH3+])[NH2+][C@@H]1c2cccc(Br)c2CC1(C)C ZINC000423123464 500345322 /nfs/dbraw/zinc/34/53/22/500345322.db2.gz DTHLSOLJPFXMSY-MLGOLLRUSA-N 2 0 355.320 3.416 20 0 FGADRP O=C([C@@H]1CCC[N@@H+]1C1CC1)N1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000427056367 500349180 /nfs/dbraw/zinc/34/91/80/500349180.db2.gz FEZHTTZCZGIYEL-FCEUIQTBSA-N 2 0 367.537 3.126 20 0 FGADRP CCOC(=O)C1([C@@H](C)[NH2+][C@@H]2C[C@H]2c2c(F)cccc2Cl)CC[NH2+]CC1 ZINC000423170283 500351015 /nfs/dbraw/zinc/35/10/15/500351015.db2.gz LNPLHRZNAAPFOR-XJKCOSOUSA-N 2 0 368.880 3.246 20 0 FGADRP Fc1cccc([C@@H]([NH2+]CCCN2CC[NH2+]CC2)c2cccc(Cl)c2)c1 ZINC000423194388 500354213 /nfs/dbraw/zinc/35/42/13/500354213.db2.gz XYXWWKAOUCXALP-FQEVSTJZSA-N 2 0 361.892 3.453 20 0 FGADRP Fc1ccc(N2CC[C@H]([NH2+][C@@H]3C[C@@]4(CC[NH2+]C4)Oc4ccccc43)C2)cc1 ZINC000423196380 500354395 /nfs/dbraw/zinc/35/43/95/500354395.db2.gz ZTPJUUXFMBUVSV-UCNVEGJOSA-N 2 0 367.468 3.250 20 0 FGADRP Cc1cccc(COc2ccc([C@@H](C)[NH2+]CCN3CC[NH2+]CC3)cc2)c1 ZINC000423209815 500355576 /nfs/dbraw/zinc/35/55/76/500355576.db2.gz VVBMZZMFWFNPRK-LJQANCHMSA-N 2 0 353.510 3.130 20 0 FGADRP C[C@@H]([NH2+][C@@H](C)c1ccc(I)cc1)[C@H]1CCC[NH2+]C1 ZINC000423217793 500356149 /nfs/dbraw/zinc/35/61/49/500356149.db2.gz QLAKAJUNZBLUEO-SCRDCRAPSA-N 2 0 358.267 3.330 20 0 FGADRP CC(C)[C@H]([NH3+])C[NH2+][C@@H](C)CCc1ccc(I)cc1 ZINC000423272595 500360667 /nfs/dbraw/zinc/36/06/67/500360667.db2.gz JWJQFWQFEALQIW-SWLSCSKDSA-N 2 0 360.283 3.185 20 0 FGADRP CC(C)(C)[NH+]1CCC([NH2+][C@@H]2CCCN(C(=O)CCC(F)(F)F)C2)CC1 ZINC000579509783 506191151 /nfs/dbraw/zinc/19/11/51/506191151.db2.gz CTQAYKJBIFMYFQ-OAHLLOKOSA-N 2 0 363.468 3.172 20 0 FGADRP COc1ccc([C@H](CCn2cncn2)[NH2+]Cc2ccc([C@H](C)[NH3+])cc2)cc1 ZINC000423292441 500361986 /nfs/dbraw/zinc/36/19/86/500361986.db2.gz NAFXVLHYPICYBZ-KKSFZXQISA-N 2 0 365.481 3.228 20 0 FGADRP C[C@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[NH2+]C[C@@H]([NH3+])C1CC1 ZINC000423323883 500363863 /nfs/dbraw/zinc/36/38/63/500363863.db2.gz PCDSFUYLBCICGV-NOZJJQNGSA-N 2 0 363.811 3.403 20 0 FGADRP C[C@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[NH2+]CCCC[NH3+] ZINC000423319992 500364063 /nfs/dbraw/zinc/36/40/63/500364063.db2.gz FYEZQZMQHPNVSY-SNVBAGLBSA-N 2 0 351.800 3.404 20 0 FGADRP Cc1ccc([C@@H]([NH2+]C[C@@H](N2CC[NH2+]CC2)C(F)(F)F)C2CCCC2)o1 ZINC000423374547 500367973 /nfs/dbraw/zinc/36/79/73/500367973.db2.gz CIFYVXSLJGJIEO-SJORKVTESA-N 2 0 359.436 3.245 20 0 FGADRP Cc1cc([C@@H]([NH2+]C[C@H](N2CC[NH2+]CC2)C(F)(F)F)C2CC2)ccc1F ZINC000423375159 500368269 /nfs/dbraw/zinc/36/82/69/500368269.db2.gz CWNMARMIZRTZAK-IRXDYDNUSA-N 2 0 359.411 3.011 20 0 FGADRP C[C@H]([NH2+][C@H]1CCC[C@H]([NH3+])C1)c1ccc(F)c(I)c1 ZINC000423375619 500368275 /nfs/dbraw/zinc/36/82/75/500368275.db2.gz UKEZIVMQYYKVCD-DLOVCJGASA-N 2 0 362.230 3.351 20 0 FGADRP CCSc1ccc([C@@H](C)[NH2+]C[C@@H](N2CC[NH2+]CC2)C(F)(F)F)cc1 ZINC000423400694 500371189 /nfs/dbraw/zinc/37/11/89/500371189.db2.gz WZUCMTBKTUPKNU-CZUORRHYSA-N 2 0 361.477 3.285 20 0 FGADRP COC[C@]1(C[NH2+][C@@H]2CCCC[C@H]2c2ccc(OC)c(F)c2)CCC[NH2+]1 ZINC000423414840 500372668 /nfs/dbraw/zinc/37/26/68/500372668.db2.gz CPLUWTKCWWFVOW-ILZDJORESA-N 2 0 350.478 3.219 20 0 FGADRP COC[C@@]1(CN[C@@H](c2cccc(OC(F)(F)F)c2)C2CC2)CCC[NH2+]1 ZINC000423417236 500373246 /nfs/dbraw/zinc/37/32/46/500373246.db2.gz SCDDIXWSCTWIDV-SJORKVTESA-N 2 0 358.404 3.395 20 0 FGADRP C[C@@H]([NH2+][C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)c1ccccc1C(F)(F)F ZINC000423446479 500375623 /nfs/dbraw/zinc/37/56/23/500375623.db2.gz CRNRBWHKDRXDFC-NJAPINKUSA-N 2 0 369.431 3.003 20 0 FGADRP CC(C)Cc1ccc([C@H](C)[NH2+][C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)cc1 ZINC000423453898 500375779 /nfs/dbraw/zinc/37/57/79/500375779.db2.gz LCHWRHMTNVYZMZ-AQKFKSFVSA-N 2 0 357.542 3.183 20 0 FGADRP O=C(C[C@H]1CCC[NH2+]CC1)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000427281008 500377533 /nfs/dbraw/zinc/37/75/33/500377533.db2.gz MZWQIQUCQLXSCY-IBGZPJMESA-N 2 0 365.521 3.264 20 0 FGADRP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C[C@H]1CCC[NH2+]CC1 ZINC000427286951 500378097 /nfs/dbraw/zinc/37/80/97/500378097.db2.gz IAZVHJUOARWNPX-PZJWPPBQSA-N 2 0 357.542 3.137 20 0 FGADRP CC1CC[NH+]([C@@H](CNC(=O)C[C@H]2CCC[NH2+]CC2)c2cccs2)CC1 ZINC000427311421 500379970 /nfs/dbraw/zinc/37/99/70/500379970.db2.gz AVZCEMYZAMYJKX-ROUUACIJSA-N 2 0 363.571 3.417 20 0 FGADRP Cc1nc(C(C)C)sc1[C@@H](C)[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000423503148 500380011 /nfs/dbraw/zinc/38/00/11/500380011.db2.gz FJQGAKMPGNWYKR-ODIFPOPNSA-N 2 0 350.576 3.442 20 0 FGADRP C[C@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)c1ccc(F)cc1OC(F)F ZINC000423511614 500380553 /nfs/dbraw/zinc/38/05/53/500380553.db2.gz NROQBUPPWBSYJP-JEYLPNPQSA-N 2 0 371.447 3.294 20 0 FGADRP C[C@@H](CC(=O)Nc1ccc(F)cc1)[NH2+]CC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000423528897 500382190 /nfs/dbraw/zinc/38/21/90/500382190.db2.gz OZYJBFUTKMGWQH-PUGNBPNRSA-N 2 0 359.489 3.286 20 0 FGADRP NC1(C[NH2+][C@H]2CCc3cc(F)ccc32)CC[NH+](Cc2ccccc2)CC1 ZINC000423552535 500384222 /nfs/dbraw/zinc/38/42/22/500384222.db2.gz GNEWFWKHIQWRHH-NRFANRHFSA-N 2 0 353.485 3.396 20 0 FGADRP COc1ccc([C@H](C)[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)c(Br)c1 ZINC000423547966 500384476 /nfs/dbraw/zinc/38/44/76/500384476.db2.gz QRHZRZWKYCOPTA-IGQOVBAYSA-N 2 0 353.304 3.496 20 0 FGADRP C[N@H+](CCCC[NH2+]Cc1c(Cl)cccc1N1CC[NH+](C)CC1)C1CC1 ZINC000419740592 500392053 /nfs/dbraw/zinc/39/20/53/500392053.db2.gz XRBFRUIKJYYXDQ-UHFFFAOYSA-N 3 0 364.965 3.056 20 0 FGADRP C[NH+](C)CCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)CC1(C[NH3+])CC1 ZINC000423762333 500399947 /nfs/dbraw/zinc/39/99/47/500399947.db2.gz PYJHOXXKJLYXBU-UHFFFAOYSA-N 2 0 372.340 3.403 20 0 FGADRP O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1CCCC[NH+]1C1CCCC1 ZINC000431656064 500404351 /nfs/dbraw/zinc/40/43/51/500404351.db2.gz UFEHZECTOXFFTE-TZIWHRDSSA-N 2 0 355.526 3.174 20 0 FGADRP C[C@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)[NH+]1CCC(C[NH3+])CC1 ZINC000420265967 500430660 /nfs/dbraw/zinc/43/06/60/500430660.db2.gz CEOIRYIOEVNPQQ-MRXNPFEDSA-N 2 0 353.466 3.477 20 0 FGADRP O=C([C@H]1CCC[N@H+](Cc2ccccc2)C1)N1CC[NH2+]C[C@@H]1c1ccccc1 ZINC000423992364 500431589 /nfs/dbraw/zinc/43/15/89/500431589.db2.gz GCSMMQRTNUEVDN-FCHUYYIVSA-N 2 0 363.505 3.072 20 0 FGADRP O=C(Nc1ccc(F)cc1)[C@@H](c1ccccc1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000420300644 500436899 /nfs/dbraw/zinc/43/68/99/500436899.db2.gz CWMJERMLTNTFIW-CTNGQTDRSA-N 2 0 353.441 3.191 20 0 FGADRP Cc1cccc([C@@H](C)C(=O)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)c1 ZINC000424023422 500438370 /nfs/dbraw/zinc/43/83/70/500438370.db2.gz VWBAKSILCWLCNS-LJQANCHMSA-N 2 0 365.521 3.208 20 0 FGADRP Brc1cccc(OCC[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)c1 ZINC000420308800 500438338 /nfs/dbraw/zinc/43/83/38/500438338.db2.gz DGYSZJWQKWPSRW-HNNXBMFYSA-N 2 0 353.304 3.149 20 0 FGADRP C[C@@H](C(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1)c1ccccc1F ZINC000424022842 500438469 /nfs/dbraw/zinc/43/84/69/500438469.db2.gz VBSLHKCRKGJCDO-QGZVFWFLSA-N 2 0 369.484 3.039 20 0 FGADRP CCOC(=O)c1nc(-c2ccccc2)oc1C[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000420305753 500438640 /nfs/dbraw/zinc/43/86/40/500438640.db2.gz ZINBJESPZTUMRO-AWEZNQCLSA-N 2 0 357.454 3.078 20 0 FGADRP [NH3+]CC[C@@H]1CCC[N@@H+]([C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)C1 ZINC000420312757 500438972 /nfs/dbraw/zinc/43/89/72/500438972.db2.gz OVRMFLGHALPRJQ-LRDDRELGSA-N 2 0 356.297 3.160 20 0 FGADRP COc1ccc([C@H](C[NH3+])CN2CCC[C@H](C[NH+]3CCC(C)CC3)C2)cc1 ZINC000420323036 500441346 /nfs/dbraw/zinc/44/13/46/500441346.db2.gz TUBNNWNSAATXKD-TZIWHRDSSA-N 2 0 359.558 3.181 20 0 FGADRP Clc1cccc(-c2noc(CC[N@@H+]3CCC[C@H]([C@H]4CC[NH2+]C4)C3)n2)c1 ZINC000420324852 500441648 /nfs/dbraw/zinc/44/16/48/500441648.db2.gz HROLGVIFKYODJB-HOTGVXAUSA-N 2 0 360.889 3.254 20 0 FGADRP CCOc1ccc([C@H]2CCC[N@@H+]2C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)cc1 ZINC000420324576 500441678 /nfs/dbraw/zinc/44/16/78/500441678.db2.gz VRNOFYDACCVYJW-BDTNDASRSA-N 2 0 354.494 3.153 20 0 FGADRP Clc1cccc(-c2noc(CC[N@@H+]3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)n2)c1 ZINC000420324848 500442025 /nfs/dbraw/zinc/44/20/25/500442025.db2.gz HROLGVIFKYODJB-CVEARBPZSA-N 2 0 360.889 3.254 20 0 FGADRP O=C(c1ccc(Cl)cc1Cl)N1CC[NH+](CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000420327824 500442351 /nfs/dbraw/zinc/44/23/51/500442351.db2.gz YXCHICDYOYLXAP-AWEZNQCLSA-N 2 0 370.324 3.141 20 0 FGADRP COc1ccc([C@@H](C[NH3+])C[N@@H+](Cc2cccs2)C[C@H]2CCCO2)cc1 ZINC000420327291 500442542 /nfs/dbraw/zinc/44/25/42/500442542.db2.gz YDQSCKDTZODBPW-PKOBYXMFSA-N 2 0 360.523 3.480 20 0 FGADRP CC1(C)C[NH2+]CC[C@H]1[NH2+]CCC(=O)N[C@@H](c1cccs1)c1ccccc1 ZINC000420352851 500446224 /nfs/dbraw/zinc/44/62/24/500446224.db2.gz AYEWYYHHGLNLMX-UYAOXDASSA-N 2 0 371.550 3.322 20 0 FGADRP CCCOc1ccc(OCC[NH+]2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)cc1 ZINC000420374290 500450404 /nfs/dbraw/zinc/45/04/04/500450404.db2.gz HKHMAGINFYBWAD-LEWJYISDSA-N 2 0 362.514 3.073 20 0 FGADRP [NH3+][C@@H]1CCO[C@@H](C2CC[NH+](CCOc3cccc4ccccc43)CC2)C1 ZINC000420381338 500451698 /nfs/dbraw/zinc/45/16/98/500451698.db2.gz CITMPYOVZCXORH-DENIHFKCSA-N 2 0 354.494 3.437 20 0 FGADRP Brc1cccc(OCC[N@@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)c1 ZINC000420384426 500452336 /nfs/dbraw/zinc/45/23/36/500452336.db2.gz DSYYMRRZEFLTLR-RHSMWYFYSA-N 2 0 353.304 3.292 20 0 FGADRP CCCOc1ccc(OCC[NH+]2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)cc1 ZINC000420394125 500454616 /nfs/dbraw/zinc/45/46/16/500454616.db2.gz RDYZPYGFDQDWQO-RXVVDRJESA-N 2 0 362.514 3.073 20 0 FGADRP C[NH+](C)CCN(Cc1ccccn1)C(=O)CC[C@@H]([NH3+])CC1CCCCC1 ZINC000424184956 500464574 /nfs/dbraw/zinc/46/45/74/500464574.db2.gz YRFUJNJLZJLJNC-LJQANCHMSA-N 2 0 360.546 3.050 20 0 FGADRP CC[NH+](CC)[C@@H](C(=O)N1CCC(C[NH3+])CC1)c1cccc(C(F)(F)F)c1 ZINC000428148697 500474280 /nfs/dbraw/zinc/47/42/80/500474280.db2.gz ZCLOSKDSFVHDTN-QGZVFWFLSA-N 2 0 371.447 3.286 20 0 FGADRP C[C@H]1CC2(C[N@@H+]1CC(=O)Nc1ccc(C(F)(F)F)cc1)CC[NH2+]CC2 ZINC000424302007 500483740 /nfs/dbraw/zinc/48/37/40/500483740.db2.gz YQYYROGSCNCIBN-ZDUSSCGKSA-N 2 0 355.404 3.108 20 0 FGADRP CC(C)[C@H](C[NH2+]Cc1csc(Cl)c1Cl)N1CC[NH+](C)CC1 ZINC000432229469 500486928 /nfs/dbraw/zinc/48/69/28/500486928.db2.gz QWKDWZKOWJPKIQ-ZDUSSCGKSA-N 2 0 350.359 3.417 20 0 FGADRP COc1ccc(C[N@@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)cc1Br ZINC000424380652 500494168 /nfs/dbraw/zinc/49/41/68/500494168.db2.gz QDBZWAFELRMXFR-ZDUSSCGKSA-N 2 0 353.304 3.422 20 0 FGADRP Cc1cc(C[NH3+])cc(NC(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000424427513 500503017 /nfs/dbraw/zinc/50/30/17/500503017.db2.gz PRRUDEXAORDZES-OXQOHEQNSA-N 2 0 352.482 3.096 20 0 FGADRP Cc1cc(C[NH3+])cc(NC(=O)NCc2ccccc2C[NH+]2CCCC2)c1 ZINC000424446622 500507340 /nfs/dbraw/zinc/50/73/40/500507340.db2.gz RWFVLDXHMVQOFC-UHFFFAOYSA-N 2 0 352.482 3.371 20 0 FGADRP CC[NH+](CC)CCCC1CCN(C(=O)NC2CCC([NH+](C)C)CC2)CC1 ZINC000420896067 500524870 /nfs/dbraw/zinc/52/48/70/500524870.db2.gz VCMNAMYQVJSZJM-UHFFFAOYSA-N 2 0 366.594 3.403 20 0 FGADRP C[C@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)NC1CCC([NH+](C)C)CC1 ZINC000420898594 500525462 /nfs/dbraw/zinc/52/54/62/500525462.db2.gz ZIYJFRANRTWNAY-KHQYNDFOSA-N 2 0 372.557 3.164 20 0 FGADRP C[C@@H]([NH2+]Cc1cccc(CN2CCOCC2)c1)[C@@H]1COc2ccccc21 ZINC000420922926 500531264 /nfs/dbraw/zinc/53/12/64/500531264.db2.gz OUDWUUCNEGCULF-UTKZUKDTSA-N 2 0 352.478 3.173 20 0 FGADRP CC[NH+]1CCC(N2CCC[N@H+](CCOc3ccccc3Cl)CC2)CC1 ZINC000421001008 500551598 /nfs/dbraw/zinc/55/15/98/500551598.db2.gz FDTCPWUYXNXBOX-UHFFFAOYSA-N 2 0 365.949 3.211 20 0 FGADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCC2CC[NH+](C3CC3)CC2)C1 ZINC000428742731 500551755 /nfs/dbraw/zinc/55/17/55/500551755.db2.gz UZHACXDRARCWLK-QGZVFWFLSA-N 2 0 364.578 3.061 20 0 FGADRP C[N@H+](CCCNC(=O)C1CCC1)[C@@H]1CC[C@H]2C[NH+](Cc3ccccc3)C[C@@H]21 ZINC000432797207 500565453 /nfs/dbraw/zinc/56/54/53/500565453.db2.gz KLZZBVKGGHQWQR-FDFHNCONSA-N 2 0 369.553 3.135 20 0 FGADRP CC(C)[C@@H](C(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCCCC1 ZINC000437043675 500595807 /nfs/dbraw/zinc/59/58/07/500595807.db2.gz VNCCNOQAKMGTMC-YADHBBJMSA-N 2 0 371.569 3.477 20 0 FGADRP C[C@@H]1CC[N@H+](CCOc2ccc(NC(=O)[C@](C)([NH3+])c3ccccc3)cc2)C1 ZINC000447435406 500605772 /nfs/dbraw/zinc/60/57/72/500605772.db2.gz OHQBWXRNPGSVGZ-VGOFRKELSA-N 2 0 367.493 3.220 20 0 FGADRP c1ccc(C[NH+]2CCN(CC[NH2+][C@@H]3Cc4[nH]c5ccccc5c4C3)CC2)cc1 ZINC000442638305 500607520 /nfs/dbraw/zinc/60/75/20/500607520.db2.gz RPSQXNWCHUNHDT-FQEVSTJZSA-N 2 0 374.532 3.043 20 0 FGADRP C[C@H]1C[C@H](NC(=O)c2cccc(C[N@H+](C)Cc3ccccc3)c2)CC[NH2+]1 ZINC000447513859 500615472 /nfs/dbraw/zinc/61/54/72/500615472.db2.gz ZLRISHPPEOAFOT-LAUBAEHRSA-N 2 0 351.494 3.189 20 0 FGADRP CC[C@@H]1CN(C(=O)CCC[NH+]2CCC([NH3+])CC2)CC[C@@H]1c1ccccc1 ZINC000433159193 500636594 /nfs/dbraw/zinc/63/65/94/500636594.db2.gz LJHDQSVGVTWYIS-NQIIRXRSSA-N 2 0 357.542 3.232 20 0 FGADRP C[C@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)c1ccccc1Br ZINC000442869533 500637310 /nfs/dbraw/zinc/63/73/10/500637310.db2.gz BOPPAJLUGFTCHP-AWEZNQCLSA-N 2 0 354.336 3.126 20 0 FGADRP CCn1nccc1CC[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433166866 500638248 /nfs/dbraw/zinc/63/82/48/500638248.db2.gz YNTKVSRXNNEDTL-UHFFFAOYSA-N 2 0 352.526 3.434 20 0 FGADRP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@@H+](C)[C@@H](C)C2(C)CC2)CC1 ZINC000437515964 500653723 /nfs/dbraw/zinc/65/37/23/500653723.db2.gz GUPPMJCMYSXYRC-IBGZPJMESA-N 2 0 357.542 3.150 20 0 FGADRP C[C@@H]1C[N@@H+](CCCC[NH2+]Cc2ncc(C(F)(F)F)s2)C[C@H](C)O1 ZINC000433301942 500666515 /nfs/dbraw/zinc/66/65/15/500666515.db2.gz HLZWZNZWKIDSPZ-TXEJJXNPSA-N 2 0 351.438 3.141 20 0 FGADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@@H](CN2CCCC2=O)c2cccc(C(F)(F)F)c2)C1 ZINC000576648590 506205290 /nfs/dbraw/zinc/20/52/90/506205290.db2.gz QDFWOMDFEPMSAR-IKGGRYGDSA-N 2 0 369.431 3.228 20 0 FGADRP O=C(NC[C@@H]1CCC[N@@H+]1C1CCCCC1)N[C@@H]1CC[NH+](C2CCCC2)C1 ZINC000437701448 500683651 /nfs/dbraw/zinc/68/36/51/500683651.db2.gz FSOKTZZUBZOUGS-XLIONFOSSA-N 2 0 362.562 3.100 20 0 FGADRP c1ccc(COc2ccccc2C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)nc1 ZINC000573564893 506212384 /nfs/dbraw/zinc/21/23/84/506212384.db2.gz MBDRBOVCBRWYHG-LJQANCHMSA-N 2 0 351.494 3.482 20 0 FGADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)NC[C@@H]1CCCC[NH+]1C1CC1 ZINC000433560213 500712629 /nfs/dbraw/zinc/71/26/29/500712629.db2.gz LCVZDCFZKWYVKR-NRFANRHFSA-N 2 0 372.557 3.343 20 0 FGADRP Cc1cc(C(F)(F)F)ccc1C[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000443639628 500748270 /nfs/dbraw/zinc/74/82/70/500748270.db2.gz GVEIIALLUFNWCR-QFBILLFUSA-N 2 0 369.475 3.472 20 0 FGADRP Fc1cc(Cl)ccc1C[NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000438210965 500754981 /nfs/dbraw/zinc/75/49/81/500754981.db2.gz FYVLHCUHCYBACR-UHFFFAOYSA-N 2 0 362.880 3.176 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@@H]2CCC[NH+]2C2CCCCC2)C[C@@H]1C ZINC000438328862 500770869 /nfs/dbraw/zinc/77/08/69/500770869.db2.gz UNDIWTDWVSRLQW-IHPCNDPISA-N 2 0 364.578 3.298 20 0 FGADRP CC(C)(CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)[NH+]1CCc2ccccc2C1 ZINC000438559655 500801563 /nfs/dbraw/zinc/80/15/63/500801563.db2.gz RVSHGZZPMSCDKL-NRFANRHFSA-N 2 0 369.553 3.347 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@@H]1CCCc2sccc21 ZINC000434189674 500808756 /nfs/dbraw/zinc/80/87/56/500808756.db2.gz OFSMSPGCJFIHLZ-FUHWJXTLSA-N 2 0 363.571 3.043 20 0 FGADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@H]1CC[NH+]([C@@H](C)c2ccccc2)C1 ZINC000439215968 500870638 /nfs/dbraw/zinc/87/06/38/500870638.db2.gz NUFWADJQUXYYQM-WJMWBRGCSA-N 2 0 370.541 3.090 20 0 FGADRP COc1cc2ccccc2cc1C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000449011570 500895734 /nfs/dbraw/zinc/89/57/34/500895734.db2.gz RGKRMMYFNGQALS-UHFFFAOYSA-N 2 0 354.494 3.393 20 0 FGADRP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]CCCN2CCCCCC2=O)CC1 ZINC000449063486 500915354 /nfs/dbraw/zinc/91/53/54/500915354.db2.gz PPBLFQZADJJNJA-FQEVSTJZSA-N 2 0 371.569 3.464 20 0 FGADRP C[C@@H](C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)c1cc(F)cc(F)c1 ZINC000449073027 500918000 /nfs/dbraw/zinc/91/80/00/500918000.db2.gz MCFUFASRSCJXKE-HNNXBMFYSA-N 2 0 360.452 3.005 20 0 FGADRP CC[NH+](CC)CCOc1ccc(C[NH2+][C@H]2CSC[C@H]2C)cc1OC ZINC000449086604 500921644 /nfs/dbraw/zinc/92/16/44/500921644.db2.gz CXRACASONCGIRH-WBVHZDCISA-N 2 0 352.544 3.257 20 0 FGADRP C[C@@H]1C[N@@H+](Cc2ccccc2C[NH2+][C@@H]2CCOC3(CCC3)C2)C[C@H](C)O1 ZINC000449107442 500926576 /nfs/dbraw/zinc/92/65/76/500926576.db2.gz MQBFANNUHMGSKQ-LVCYWYKZSA-N 2 0 358.526 3.487 20 0 FGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+]Cc2cc(Cl)sc2Cl)CC1 ZINC000449129648 500931138 /nfs/dbraw/zinc/93/11/38/500931138.db2.gz DBOITUKVUATFFG-GFCCVEGCSA-N 2 0 350.359 3.418 20 0 FGADRP C[C@H](C[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1)CN1CCOCC1 ZINC000449162944 500938006 /nfs/dbraw/zinc/93/80/06/500938006.db2.gz KUDXJGYGQBINEK-GOSISDBHSA-N 2 0 353.595 3.224 20 0 FGADRP COc1cc(C[NH2+]C2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)cc2ccccc21 ZINC000449183784 500943031 /nfs/dbraw/zinc/94/30/31/500943031.db2.gz CNGCHBUVTRIXQX-RTWAWAEBSA-N 2 0 354.494 3.316 20 0 FGADRP C[NH+](C)C1CCN(CC[NH2+]Cc2cnc(CCc3ccccc3)s2)CC1 ZINC000449220999 500951397 /nfs/dbraw/zinc/95/13/97/500951397.db2.gz IYWLLVQZXGJBFB-UHFFFAOYSA-N 2 0 372.582 3.044 20 0 FGADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@H](C)COc1ccc(Cl)c(Cl)c1 ZINC000449252487 500957940 /nfs/dbraw/zinc/95/79/40/500957940.db2.gz VLIMWHSPLAMJEW-HUUCEWRRSA-N 2 0 374.356 3.376 20 0 FGADRP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1cn(Cc2ccccc2)nc1-c1cccnc1 ZINC000435373663 500962116 /nfs/dbraw/zinc/96/21/16/500962116.db2.gz NWZLTAQILDHRET-HKUYNNGSSA-N 2 0 361.493 3.163 20 0 FGADRP COc1cccc(-c2nn(C(C)(C)C)cc2C[N@@H+]2C[C@@H](C[NH3+])C[C@@H]2C)c1 ZINC000435375227 500962597 /nfs/dbraw/zinc/96/25/97/500962597.db2.gz UHBXPMCCKBKREK-JKSUJKDBSA-N 2 0 356.514 3.483 20 0 FGADRP COc1ccc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc1OCc1ccccc1 ZINC000435380880 500963798 /nfs/dbraw/zinc/96/37/98/500963798.db2.gz UFHLABSRIJXQBO-XUVXKRRUSA-N 2 0 352.478 3.443 20 0 FGADRP C[C@H]([NH3+])[C@@H]1CCC[N@H+](Cc2cn(-c3ccccc3)nc2-c2cccnc2)C1 ZINC000435386079 500965166 /nfs/dbraw/zinc/96/51/66/500965166.db2.gz SKRWSBRUNXPBAJ-PKOBYXMFSA-N 2 0 361.493 3.494 20 0 FGADRP C[C@@H](Cc1ccccc1)[NH+]1CCC([N@H+](C)CCCNC(=O)C2CCC2)CC1 ZINC000449282635 500965499 /nfs/dbraw/zinc/96/54/99/500965499.db2.gz IJNWCWXCPZEZPR-IBGZPJMESA-N 2 0 371.569 3.320 20 0 FGADRP CCOc1cc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)ccc1OCC(F)(F)F ZINC000435389027 500965845 /nfs/dbraw/zinc/96/58/45/500965845.db2.gz KIGMFVASVNMKGC-RRFJBIMHSA-N 2 0 358.404 3.196 20 0 FGADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C2CC[NH+]([C@H](C)Cc3ccccc3)CC2)C1 ZINC000449297727 500970052 /nfs/dbraw/zinc/97/00/52/500970052.db2.gz DSBSOZZDPYAGPT-QFUCXCTJSA-N 2 0 358.526 3.403 20 0 FGADRP CC[NH+]1CCC(NC(=O)N2CC[NH+](C3CCC(C(C)C)CC3)CC2)CC1 ZINC000440160949 500982622 /nfs/dbraw/zinc/98/26/22/500982622.db2.gz PAZFLVJSXCJWSY-UHFFFAOYSA-N 2 0 364.578 3.013 20 0 FGADRP C[C@@H]1CN(Cc2ccccc2N(C)C2CC[NH+](C)CC2)CC[N@@H+](C2CC2)C1 ZINC000449344461 500982808 /nfs/dbraw/zinc/98/28/08/500982808.db2.gz CMWPUIWCDIQEDI-LJQANCHMSA-N 2 0 370.585 3.133 20 0 FGADRP C[C@@H]1CSC[C@@H]1[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000449343928 500983071 /nfs/dbraw/zinc/98/30/71/500983071.db2.gz OFTDTODFEITDIE-HOJAQTOUSA-N 2 0 360.567 3.256 20 0 FGADRP CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)N(C)CC[C@H]1CCCC[NH+]1C ZINC000440171720 500984051 /nfs/dbraw/zinc/98/40/51/500984051.db2.gz BJIBQKZUIBXWJW-RTBURBONSA-N 2 0 352.567 3.013 20 0 FGADRP CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000440178834 500984387 /nfs/dbraw/zinc/98/43/87/500984387.db2.gz MOUMNRBNBVOMCD-HXUWFJFHSA-N 2 0 364.578 3.014 20 0 FGADRP Cc1cccc(C2([NH2+]CC(=O)NC3CC[NH+](C4CC4)CC3)CCCC2)c1 ZINC000440271903 500993256 /nfs/dbraw/zinc/99/32/56/500993256.db2.gz OYASLWABSCMYNY-UHFFFAOYSA-N 2 0 355.526 3.097 20 0 FGADRP CC[NH+]1CCN(c2ccccc2C[NH2+]C[C@@H]2CCO[C@H](C(C)C)C2)CC1 ZINC000449490705 501015986 /nfs/dbraw/zinc/01/59/86/501015986.db2.gz CLNQONQMLLPIJL-KNQAVFIVSA-N 2 0 359.558 3.369 20 0 FGADRP Fc1ccc(-c2cn3c(n2)CC[C@H]([NH2+][C@H]2CC[N@@H+]4CCC[C@H]4C2)C3)c(F)c1 ZINC000449548439 501030781 /nfs/dbraw/zinc/03/07/81/501030781.db2.gz NHYRWEMDCXTTIW-ULQDDVLXSA-N 2 0 372.463 3.360 20 0 FGADRP C[C@@H](c1ccco1)N(CC(=O)N1CCN(Cc2ccccc2)CC1)C1CC1 ZINC000440903258 501061298 /nfs/dbraw/zinc/06/12/98/501061298.db2.gz LNCOGYWTYILTPV-SFHVURJKSA-N 2 0 367.493 3.149 20 0 FGADRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2cccc(-c3ccccn3)c2)CC1 ZINC000449745312 501074169 /nfs/dbraw/zinc/07/41/69/501074169.db2.gz MRXWZOOEFAEXJS-UHFFFAOYSA-N 2 0 352.526 3.254 20 0 FGADRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2cnc(C3CCCC3)s2)CC1 ZINC000449747929 501074817 /nfs/dbraw/zinc/07/48/17/501074817.db2.gz YWOQGUWBBQHURR-UHFFFAOYSA-N 2 0 350.576 3.306 20 0 FGADRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2csc(-c3ccccc3)n2)CC1 ZINC000449755192 501076470 /nfs/dbraw/zinc/07/64/70/501076470.db2.gz SMCQTCMRQUGQHD-UHFFFAOYSA-N 2 0 358.555 3.316 20 0 FGADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)C1 ZINC000436304167 501104506 /nfs/dbraw/zinc/10/45/06/501104506.db2.gz CZHTVIMZROYFNT-CRSSMBPESA-N 2 0 356.510 3.218 20 0 FGADRP CC[N@H+](CC(=O)NCc1ccccc1C[NH+]1C[C@@H](C)C[C@H](C)C1)C1CC1 ZINC000441276334 501112694 /nfs/dbraw/zinc/11/26/94/501112694.db2.gz HIOVKFCIONKMDJ-ROUUACIJSA-N 2 0 357.542 3.265 20 0 FGADRP C[C@H](c1ccccc1)[C@@H](O)C[NH+]1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000450472412 501130221 /nfs/dbraw/zinc/13/02/21/501130221.db2.gz FKVHTBSSIXNHHY-URFJDIBFSA-N 2 0 374.569 3.362 20 0 FGADRP CC(C)(C)OC(=O)[C@H](C[NH2+]Cc1ccnn1-c1cc[nH+]cc1)C1CCC1 ZINC000596064638 506236905 /nfs/dbraw/zinc/23/69/05/506236905.db2.gz ZEDICCKYWMBYRT-GOSISDBHSA-N 2 0 356.470 3.115 20 0 FGADRP CCC1(CC)CC[N@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000446716460 501155516 /nfs/dbraw/zinc/15/55/16/501155516.db2.gz ZSPIZNULHLXWHV-UHFFFAOYSA-N 2 0 357.542 3.411 20 0 FGADRP COc1ccc([C@@H](CCn2cncn2)[NH2+]CC[C@@H](C)[NH+]2CCCCC2)cc1 ZINC000446880832 501176821 /nfs/dbraw/zinc/17/68/21/501176821.db2.gz JCIUKOKANPLSJT-WIYYLYMNSA-N 2 0 371.529 3.272 20 0 FGADRP O=C(N[C@H]1CC[N@@H+](C2CCCC2)C1)[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000592774507 506238849 /nfs/dbraw/zinc/23/88/49/506238849.db2.gz UYPMPVDUALIRMI-UXHICEINSA-N 2 0 355.526 3.032 20 0 FGADRP C[N@H+](Cc1ccccc1)CC(C)(C)NC(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000447051275 501197587 /nfs/dbraw/zinc/19/75/87/501197587.db2.gz SFQGDXICIKQZGE-UHFFFAOYSA-N 2 0 372.557 3.071 20 0 FGADRP OCC[C@H]1CCC[N@@H+]1Cc1cc(Cl)cc(C[NH+]2CCC[C@H]2CCO)c1 ZINC000450801229 501211292 /nfs/dbraw/zinc/21/12/92/501211292.db2.gz YXCUPDRKLAMNQU-BGYRXZFFSA-N 2 0 366.933 3.034 20 0 FGADRP CC[NH+](CC)CCCNC(=O)C1CC[NH+](C[C@H]2CCCCC2(F)F)CC1 ZINC000450264499 501221847 /nfs/dbraw/zinc/22/18/47/501221847.db2.gz FWCPKBIXSBZUJT-GOSISDBHSA-N 2 0 373.532 3.372 20 0 FGADRP O=C(CCC[NH+]1CCC(CC[NH+]2CCOCC2)CC1)c1ccc(F)cc1 ZINC000450320656 501233088 /nfs/dbraw/zinc/23/30/88/501233088.db2.gz WPKPCSQZTKJYJT-UHFFFAOYSA-N 2 0 362.489 3.223 20 0 FGADRP Cc1ncsc1CC[NH2+]Cc1c(Cl)cccc1N1CC[NH+](C)CC1 ZINC000451208098 501252221 /nfs/dbraw/zinc/25/22/21/501252221.db2.gz NIJUUOQSPXMWII-UHFFFAOYSA-N 2 0 364.946 3.189 20 0 FGADRP CC(=O)N1CCC([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)CC1 ZINC000453097633 501268143 /nfs/dbraw/zinc/26/81/43/501268143.db2.gz USWPXDQVIYQCTO-VSKRKVRLSA-N 2 0 355.526 3.030 20 0 FGADRP NC(=O)[C@H]1CCC[N@H+](Cc2cccc(C[NH2+][C@H](C3CC3)C3CCC3)c2)C1 ZINC000453109353 501271055 /nfs/dbraw/zinc/27/10/55/501271055.db2.gz MHVYLSILEQZIHO-SFTDATJTSA-N 2 0 355.526 3.052 20 0 FGADRP CC[NH+](CC)Cc1cccc(CNC(=O)N2CC[N@@H+](C3CC3)C[C@H](C)C2)c1 ZINC000457652765 501278266 /nfs/dbraw/zinc/27/82/66/501278266.db2.gz AVXDANCKCVMDTQ-SFHVURJKSA-N 2 0 372.557 3.154 20 0 FGADRP C[C@H]([NH2+]CCc1ccc(OCC[N@@H+]2C[C@H](C)[C@H](C)C2)cc1)c1cn[nH]c1 ZINC000453158694 501281464 /nfs/dbraw/zinc/28/14/64/501281464.db2.gz BTLGMPHFPJHVGS-KSZLIROESA-N 2 0 356.514 3.270 20 0 FGADRP Cc1nccnc1CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000453234865 501296232 /nfs/dbraw/zinc/29/62/32/501296232.db2.gz XECXJBMXLVESJT-NNWRFLSQSA-N 2 0 350.510 3.360 20 0 FGADRP CC[C@@H]([NH2+][C@H]1CCCN(CCCO)C1)c1ccc(OC(F)(F)F)cc1 ZINC000453282271 501307525 /nfs/dbraw/zinc/30/75/25/501307525.db2.gz DIBOFHXYVJVRJX-DOTOQJQBSA-N 2 0 360.420 3.473 20 0 FGADRP C[C@H]1CCCC[N@@H+]1CCCC[NH2+]C[C@H](O)COc1ccc(Cl)cc1 ZINC000582481202 506245566 /nfs/dbraw/zinc/24/55/66/506245566.db2.gz IHVNILFLKWBFFZ-WMZOPIPTSA-N 2 0 354.922 3.324 20 0 FGADRP CCc1ccc(CC[N@@H+]2CCC[C@@H](CN3CCCN(C(C)=O)CC3)C2)cc1 ZINC000451537688 501316838 /nfs/dbraw/zinc/31/68/38/501316838.db2.gz RTDGIGXZIZVZCR-HSZRJFAPSA-N 2 0 371.569 3.058 20 0 FGADRP O=C(NC1CC[NH+](C2CCC2)CC1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000455569183 501336652 /nfs/dbraw/zinc/33/66/52/501336652.db2.gz VSURULFRICUMAQ-UHFFFAOYSA-N 2 0 362.562 3.100 20 0 FGADRP CC(C)(C[NH+]1CCCC1)NC(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000457985454 501350667 /nfs/dbraw/zinc/35/06/67/501350667.db2.gz UFXBEGWHQXDENA-UHFFFAOYSA-N 2 0 372.557 3.072 20 0 FGADRP CCc1ccc([C@H](CNC(=O)N2CCC[C@H]([NH+]3CCCC3)C2)[NH+](C)C)cc1 ZINC000611671573 506250336 /nfs/dbraw/zinc/25/03/36/506250336.db2.gz XIRPXHONDKWJSA-SFTDATJTSA-N 2 0 372.557 3.122 20 0 FGADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)NCc1ccc2c[nH+]cn2c1)c1ccccc1 ZINC000458367776 501428444 /nfs/dbraw/zinc/42/84/44/501428444.db2.gz HTOXCCKTFIFKJK-MRXNPFEDSA-N 2 0 365.481 3.263 20 0 FGADRP C[C@H](CCNC(=O)N[C@H]1C[C@@H](C)n2ccnc21)[N@H+](C)Cc1ccccc1 ZINC000454581960 501583887 /nfs/dbraw/zinc/58/38/87/501583887.db2.gz BWFOYMFGDNAPQN-NUJGCVRESA-N 2 0 355.486 3.099 20 0 FGADRP CC1(C)C[N@H+](CC2(O)CCOCC2)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000453017280 501602081 /nfs/dbraw/zinc/60/20/81/501602081.db2.gz NALWYTFSIHEKFX-NRFANRHFSA-N 2 0 372.553 3.151 20 0 FGADRP C[N@H+](CCCCNC(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1)C1CC1 ZINC000459163577 501606775 /nfs/dbraw/zinc/60/67/75/501606775.db2.gz QTKAEGHCDPEGQG-UHFFFAOYSA-N 2 0 372.557 3.167 20 0 FGADRP CC[NH+](CC)C[C@H]1CCCC[C@@H]1NC(=O)NCc1ccc2c[nH+]cn2c1 ZINC000459207816 501613778 /nfs/dbraw/zinc/61/37/78/501613778.db2.gz DRDJUOSDPZHVQV-MJGOQNOKSA-N 2 0 357.502 3.034 20 0 FGADRP CC[NH+](CC)C[C@H]1CCCC[C@H]1NC(=O)NCc1ccc2c[nH+]cn2c1 ZINC000459207812 501613915 /nfs/dbraw/zinc/61/39/15/501613915.db2.gz DRDJUOSDPZHVQV-IEBWSBKVSA-N 2 0 357.502 3.034 20 0 FGADRP C[C@@H]1C[C@@H](NC(=O)NC[C@H](C2CC2)[N@H+](C)Cc2ccccc2)c2nccn21 ZINC000454824979 501637962 /nfs/dbraw/zinc/63/79/62/501637962.db2.gz SLLKGQOSZDLZPK-ATZDWAIDSA-N 2 0 367.497 3.099 20 0 FGADRP FC(F)(F)COc1ncccc1C[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000459373681 501641963 /nfs/dbraw/zinc/64/19/63/501641963.db2.gz VZJMGFOTLNYJAJ-UHFFFAOYSA-N 2 0 366.387 3.176 20 0 FGADRP C[C@@H]1CN(C(=O)Nc2ccc(OCC[NH+]3CCCCC3)cc2)C[C@H](C)[N@H+]1C ZINC000454980957 501666416 /nfs/dbraw/zinc/66/64/16/501666416.db2.gz DAZVUNOAGKFSCJ-HDICACEKSA-N 2 0 374.529 3.108 20 0 FGADRP C[NH+](C)CCCC(C)(C)NC(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000457384046 501691099 /nfs/dbraw/zinc/69/10/99/501691099.db2.gz ZOTBZOHTALDGLZ-IBGZPJMESA-N 2 0 360.546 3.243 20 0 FGADRP COc1ccc(C)cc1[C@H](C)[NH2+]CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000459657618 501694250 /nfs/dbraw/zinc/69/42/50/501694250.db2.gz NSMHMKPBEYYLSI-FXAWDEMLSA-N 2 0 369.509 3.073 20 0 FGADRP C(CC[NH+]1CC2(CCC2)[C@@H]2COC[C@@H]21)CC[N@@H+]1CC2(CCC2)[C@H]2COC[C@@H]21 ZINC000459686197 501699018 /nfs/dbraw/zinc/69/90/18/501699018.db2.gz VKZDBIQCMMHEHV-WOZUAGRISA-N 2 0 374.569 3.159 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N(C)[C@@H]1CC[N@@H+](C(C)C)C1)c1ccccc1 ZINC000457464572 501703829 /nfs/dbraw/zinc/70/38/29/501703829.db2.gz VXCMBWSDHOMTQW-WOJBJXKFSA-N 2 0 360.546 3.194 20 0 FGADRP C[C@H]([NH2+]C1(C2CCC2)CCC1)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000459777024 501712435 /nfs/dbraw/zinc/71/24/35/501712435.db2.gz RKGUVXJVQWIASA-SFHVURJKSA-N 2 0 369.553 3.468 20 0 FGADRP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)NCc2ccccc2C[NH+]2CCCCC2)C1 ZINC000457545737 501719408 /nfs/dbraw/zinc/71/94/08/501719408.db2.gz YGXPXTMOGSDGJA-NRFANRHFSA-N 2 0 372.557 3.297 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccc(OC2CCC2)cc1 ZINC000463631931 501779596 /nfs/dbraw/zinc/77/95/96/501779596.db2.gz WICNQLXOYSUWLP-LJQANCHMSA-N 2 0 373.541 3.106 20 0 FGADRP Cc1ccccc1C[C@H](CO)[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000467384282 501782679 /nfs/dbraw/zinc/78/26/79/501782679.db2.gz WMMPVMWJZJFWGV-UARRHKHWSA-N 2 0 364.533 3.399 20 0 FGADRP CCC[N@@H+]1CC[C@H](CNC(=O)N(C)[C@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000470726052 501782932 /nfs/dbraw/zinc/78/29/32/501782932.db2.gz KIMCGVFZCKEQGP-RTWAWAEBSA-N 2 0 372.557 3.024 20 0 FGADRP COc1ccc(Cn2nc(C)c(C[NH2+]C[C@H]3CC[N@@H+](C4CC4)C3)c2C)cc1 ZINC000463741550 501808957 /nfs/dbraw/zinc/80/89/57/501808957.db2.gz LTJSCOCWZIDZRS-LJQANCHMSA-N 2 0 368.525 3.131 20 0 FGADRP CCCN(CC[NH+]1CCCCCC1)C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000460465540 501830117 /nfs/dbraw/zinc/83/01/17/501830117.db2.gz FWAKRPAAQGMAQE-MOPGFXCFSA-N 2 0 352.567 3.157 20 0 FGADRP CCCC[N@H+](C)C[C@H](C)NC(=O)N[C@H](C)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000460655232 501887221 /nfs/dbraw/zinc/88/72/21/501887221.db2.gz KZKQFCMXZHGGRN-ZVDOUQERSA-N 2 0 374.573 3.317 20 0 FGADRP C[NH+](C)CCOc1ccc(CC[NH2+][C@@H]2CCC[C@@H]([C@H]3CCOC3)C2)cc1 ZINC000464061238 501887463 /nfs/dbraw/zinc/88/74/63/501887463.db2.gz AUDMMRLXMQLYMO-QHAWAJNXSA-N 2 0 360.542 3.354 20 0 FGADRP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000474707711 501928352 /nfs/dbraw/zinc/92/83/52/501928352.db2.gz DJNSIDTZIJEDEF-APIJFGDWSA-N 2 0 369.962 3.071 20 0 FGADRP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000474707712 501928630 /nfs/dbraw/zinc/92/86/30/501928630.db2.gz DJNSIDTZIJEDEF-CBBWQLFWSA-N 2 0 369.962 3.071 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)c2cc([C@H]3CC[NH2+]C3)[nH]n2)cc1 ZINC000485787948 501937245 /nfs/dbraw/zinc/93/72/45/501937245.db2.gz QQVVJCACVGHVAW-WBVHZDCISA-N 2 0 367.497 3.113 20 0 FGADRP CCC(CC)[C@H](CNC(=O)NCCC[NH+]1CCCCC1)[NH+]1CCCC1 ZINC000612186537 506476769 /nfs/dbraw/zinc/47/67/69/506476769.db2.gz BLVMOPQMSHYLPV-IBGZPJMESA-N 2 0 352.567 3.062 20 0 FGADRP CCN(C(=O)CC1CC[NH+](C)CC1)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000485883483 501975461 /nfs/dbraw/zinc/97/54/61/501975461.db2.gz NXOWYILBFBATHR-NQIIRXRSSA-N 2 0 357.542 3.402 20 0 FGADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC000485891761 501978403 /nfs/dbraw/zinc/97/84/03/501978403.db2.gz BXTNBQCWYAZTTM-XLIONFOSSA-N 2 0 351.494 3.314 20 0 FGADRP COc1ccc([C@H](C)[NH2+]CCCN2CCN(c3cc[nH+]cc3)CC2)c(F)c1 ZINC000482113717 501978507 /nfs/dbraw/zinc/97/85/07/501978507.db2.gz YSJXZURKAPSHLS-KRWDZBQOSA-N 2 0 372.488 3.092 20 0 FGADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCC(=O)N1CCCCCC1 ZINC000482113378 501979204 /nfs/dbraw/zinc/97/92/04/501979204.db2.gz JTRGQPXXEWVJGO-FPOVZHCZSA-N 2 0 357.542 3.279 20 0 FGADRP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](O)COc1cccc2[nH]ccc21 ZINC000482141024 501987690 /nfs/dbraw/zinc/98/76/90/501987690.db2.gz XIZWHUKDYPGSHP-NLWGTHIKSA-N 2 0 373.541 3.398 20 0 FGADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]C[C@H](O)COc1cccc2[nH]ccc21 ZINC000482141022 501987805 /nfs/dbraw/zinc/98/78/05/501987805.db2.gz XIZWHUKDYPGSHP-BJLQDIEVSA-N 2 0 373.541 3.398 20 0 FGADRP COC(=O)c1cccc(C[NH+]2CCC(CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c1 ZINC000482165631 501995179 /nfs/dbraw/zinc/99/51/79/501995179.db2.gz RPNVKONBCPJFAY-HDICACEKSA-N 2 0 374.525 3.185 20 0 FGADRP Cc1ccc(CCC[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H]2CO)cn1 ZINC000474944281 502000427 /nfs/dbraw/zinc/00/04/27/502000427.db2.gz PQFSWJVIUHJSJI-JOCHJYFZSA-N 2 0 353.510 3.069 20 0 FGADRP CCN(C(=O)NCCC[NH+]1CCCC1)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000471372731 502002508 /nfs/dbraw/zinc/00/25/08/502002508.db2.gz HZUZPHOJQQLEFF-CTNGQTDRSA-N 2 0 372.557 3.339 20 0 FGADRP C[NH+](C)CCN(C(=O)NCCC[N@H+](C)Cc1ccccc1)C1CCCC1 ZINC000468322394 502024720 /nfs/dbraw/zinc/02/47/20/502024720.db2.gz HSKCWZJXILBRBF-UHFFFAOYSA-N 2 0 360.546 3.024 20 0 FGADRP C[C@H](CC[NH+]1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1)OCc1ccccc1 ZINC000475044595 502033622 /nfs/dbraw/zinc/03/36/22/502033622.db2.gz CKQCWQBVISYSOS-FDFHNCONSA-N 2 0 373.585 3.472 20 0 FGADRP Cc1oc2ccccc2c1CC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000464649203 502055026 /nfs/dbraw/zinc/05/50/26/502055026.db2.gz OSCKIXACMIBECF-UHFFFAOYSA-N 2 0 359.514 3.016 20 0 FGADRP COc1ccc2oc([C@@H](C)[NH2+][C@H](C)CCN3CC[NH+](C)CC3)c(C)c2c1 ZINC000471582220 502073177 /nfs/dbraw/zinc/07/31/77/502073177.db2.gz UFOPLSFLOQIPJX-NVXWUHKLSA-N 2 0 359.514 3.426 20 0 FGADRP O=C(NCc1cccc(C[NH+]2CCCC2)c1)[C@@H]1CCN1Cc1ccccc1 ZINC000468483695 502075638 /nfs/dbraw/zinc/07/56/38/502075638.db2.gz LJMVLVBGBXLUPR-QFIPXVFZSA-N 2 0 363.505 3.173 20 0 FGADRP C[NH+](C)[C@@H](CNC(=O)C[NH2+][C@]1(C)CCCc2ccccc21)c1ccccc1 ZINC000475145161 502080310 /nfs/dbraw/zinc/08/03/10/502080310.db2.gz OXCBGMNORLUAJT-JTHBVZDNSA-N 2 0 365.521 3.247 20 0 FGADRP CCN(C(=O)N[C@H](C)C[NH+]1CCCCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475170323 502088445 /nfs/dbraw/zinc/08/84/45/502088445.db2.gz CGTKTFXKCATMID-CTNGQTDRSA-N 2 0 372.557 3.167 20 0 FGADRP CCN(C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475179872 502091149 /nfs/dbraw/zinc/09/11/49/502091149.db2.gz XTDZAVKFHDEGFX-HKBOAZHASA-N 2 0 372.557 3.165 20 0 FGADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000486265188 502104986 /nfs/dbraw/zinc/10/49/86/502104986.db2.gz GCGIFQABBHVMDU-SIKLNZKXSA-N 2 0 371.569 3.035 20 0 FGADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)NCC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)C1 ZINC000464953619 502155045 /nfs/dbraw/zinc/15/50/45/502155045.db2.gz PJBJNCQKOBNCFI-GUDVDZBRSA-N 2 0 366.594 3.020 20 0 FGADRP C[NH+](C)Cc1ccccc1C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000486481610 502166416 /nfs/dbraw/zinc/16/64/16/502166416.db2.gz JLSKCJNILAMVLY-HXUWFJFHSA-N 2 0 351.494 3.143 20 0 FGADRP COc1cccc([C@@H](C)N2CCN(C(=O)[C@@H](C)[NH+]3CCCCCC3)CC2)c1 ZINC000468776361 502178797 /nfs/dbraw/zinc/17/87/97/502178797.db2.gz AYFCVPKNKNLACW-RTBURBONSA-N 2 0 373.541 3.165 20 0 FGADRP COc1cccc([C@H](C)N2CCN(C(=O)[C@H](C)[NH+]3CCCCCC3)CC2)c1 ZINC000468776300 502179365 /nfs/dbraw/zinc/17/93/65/502179365.db2.gz AYFCVPKNKNLACW-OALUTQOASA-N 2 0 373.541 3.165 20 0 FGADRP C[C@@H](CNC(=O)NC(C)(C)CC[NH+]1CCCCCC1)C[NH+]1CCCC1 ZINC000482859703 502200424 /nfs/dbraw/zinc/20/04/24/502200424.db2.gz SQVUCHUTKKSUCK-SFHVURJKSA-N 2 0 352.567 3.062 20 0 FGADRP CCn1nc(C[NH2+]Cc2ccc(OCC[NH+](C)C)cc2)c2ccccc21 ZINC000472036338 502205720 /nfs/dbraw/zinc/20/57/20/502205720.db2.gz XHGUBVBSABYKLG-UHFFFAOYSA-N 2 0 352.482 3.286 20 0 FGADRP CCCC[N@H+](C)C[C@H](C)NC(=O)N1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000461799545 502206695 /nfs/dbraw/zinc/20/66/95/502206695.db2.gz QABUDIRPPLPJRE-UFYCRDLUSA-N 2 0 366.594 3.403 20 0 FGADRP Cc1ccc2[nH]c(C[NH2+]C3CCN(C4CC[NH+](C)CC4)CC3)cc2c1C ZINC000472062199 502216453 /nfs/dbraw/zinc/21/64/53/502216453.db2.gz HGRAIXYWZJJCRH-UHFFFAOYSA-N 2 0 354.542 3.433 20 0 FGADRP CCN(CCC[NH+](CC)CC)C(=O)N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000472066955 502216974 /nfs/dbraw/zinc/21/69/74/502216974.db2.gz ZKIPGQYFXJIMLF-OALUTQOASA-N 2 0 366.594 3.403 20 0 FGADRP CCN(CCC[NH+]1CCCC1)C(=O)N[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000472072555 502219673 /nfs/dbraw/zinc/21/96/73/502219673.db2.gz FIFVAWOVIZMDPE-TZIWHRDSSA-N 2 0 372.557 3.167 20 0 FGADRP C[NH+]1CCN(CCC[NH2+][C@H]2CCCc3cc(Br)ccc32)CC1 ZINC000479354035 502233021 /nfs/dbraw/zinc/23/30/21/502233021.db2.gz ZYMUHZFDXOUUGF-SFHVURJKSA-N 2 0 366.347 3.054 20 0 FGADRP Fc1ccc2cc(C[NH2+]CCCN3CCN(c4cc[nH+]cc4)CC3)[nH]c2c1 ZINC000486702558 502237525 /nfs/dbraw/zinc/23/75/25/502237525.db2.gz WJSAEWRCPGQTLR-UHFFFAOYSA-N 2 0 367.472 3.004 20 0 FGADRP C[C@H](CCCCN1C(=O)c2ccccc2C1=O)[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000472129376 502242518 /nfs/dbraw/zinc/24/25/18/502242518.db2.gz BCTCQVRABMIQLJ-FGTMMUONSA-N 2 0 369.509 3.058 20 0 FGADRP CC(C)(C)NC(=O)C[NH+]1CCC(C[NH2+]Cc2cc3ccc(F)cc3[nH]2)CC1 ZINC000486718381 502242773 /nfs/dbraw/zinc/24/27/73/502242773.db2.gz CLGSKDSWDVBGMT-UHFFFAOYSA-N 2 0 374.504 3.023 20 0 FGADRP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+]2C[C@H](C)C[C@H](C)[C@@H]2C)CC1 ZINC000475731231 502268333 /nfs/dbraw/zinc/26/83/33/502268333.db2.gz DAXFCJYHWYKNQF-HOJAQTOUSA-N 2 0 371.569 3.442 20 0 FGADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1CCC[NH+](CCCc2ccccc2)CC1 ZINC000462018074 502275366 /nfs/dbraw/zinc/27/53/66/502275366.db2.gz YOBWZIDVVLTGHJ-BGYRXZFFSA-N 2 0 357.542 3.026 20 0 FGADRP CCCC[N@H+](C)C[C@@H](C)NC(=O)N1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000462015521 502275609 /nfs/dbraw/zinc/27/56/09/502275609.db2.gz QABUDIRPPLPJRE-AABGKKOBSA-N 2 0 366.594 3.403 20 0 FGADRP CC[NH+](CC)CCSCC(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000462045694 502284834 /nfs/dbraw/zinc/28/48/34/502284834.db2.gz PEPJJRDWEUMVTQ-UHFFFAOYSA-N 2 0 369.619 3.366 20 0 FGADRP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NC[C@H](C(C)C)[NH+]1CCC(C)CC1 ZINC000465544393 502300631 /nfs/dbraw/zinc/30/06/31/502300631.db2.gz OKWWFJXCNKSNLT-HSALFYBXSA-N 2 0 364.578 3.011 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C2CCN(c3cccc(C)n3)CC2)[C@H](C)C1 ZINC000483176027 502303484 /nfs/dbraw/zinc/30/34/84/502303484.db2.gz JKXGSEYVWPLUHJ-NQIIRXRSSA-N 3 0 374.573 3.085 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+]Cc2c(Br)cnn2C)C1 ZINC000486966750 502318501 /nfs/dbraw/zinc/31/85/01/502318501.db2.gz LSBHIQKPOHLNST-OKILXGFUSA-N 2 0 357.340 3.030 20 0 FGADRP CCCN(CC[NH+]1CCCCC1)C(=O)NCCCC[N@@H+]1CCC[C@H](C)C1 ZINC000479645360 502330644 /nfs/dbraw/zinc/33/06/44/502330644.db2.gz IIGCMOIPTQJLIT-FQEVSTJZSA-N 2 0 366.594 3.406 20 0 FGADRP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](CCC2CCCCC2)CC1 ZINC000483287342 502340536 /nfs/dbraw/zinc/34/05/36/502340536.db2.gz VPIHVUOROOUAEF-UHFFFAOYSA-N 2 0 351.579 3.373 20 0 FGADRP CC[NH+](CC)[C@H](C)CNC(=O)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000472444486 502353769 /nfs/dbraw/zinc/35/37/69/502353769.db2.gz AVSPZGKDLWSZOT-HXUWFJFHSA-N 2 0 374.573 3.067 20 0 FGADRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@@H](C)c1cccc(NS(C)(=O)=O)c1 ZINC000479741381 502362607 /nfs/dbraw/zinc/36/26/07/502362607.db2.gz KMCBXSSJZWSTOA-CVEARBPZSA-N 2 0 355.548 3.219 20 0 FGADRP CC[NH+]1CCC(CCNC(=O)N[C@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)CC1 ZINC000465747690 502368548 /nfs/dbraw/zinc/36/85/48/502368548.db2.gz HNCILGIWFXBYBL-NQIIRXRSSA-N 2 0 372.557 3.243 20 0 FGADRP CCC[N@H+](CCCN1CC[NH+](C(C)C)CC1)[C@@H]1C[C@@H](OCC)C1(C)C ZINC000472600103 502398336 /nfs/dbraw/zinc/39/83/36/502398336.db2.gz XKQWHIVLAIFJEV-WOJBJXKFSA-N 2 0 353.595 3.318 20 0 FGADRP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N[C@H](C)C1=CC[NH+](C)CC1 ZINC000469433664 502416347 /nfs/dbraw/zinc/41/63/47/502416347.db2.gz HAFBNRAVDWZWBP-NQIIRXRSSA-N 2 0 372.557 3.093 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H](C)c1cc(C)cc(C)c1 ZINC000465903805 502422510 /nfs/dbraw/zinc/42/25/10/502422510.db2.gz DUQJXICTHXBUGQ-TZIWHRDSSA-N 2 0 374.573 3.422 20 0 FGADRP Fc1ccc(-c2nn(-c3ccccc3)cc2CN2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000479968123 502432681 /nfs/dbraw/zinc/43/26/81/502432681.db2.gz YWPSPUHTRXFLPL-HDICACEKSA-N 2 0 362.452 3.330 20 0 FGADRP CC(C)[N@@H+]1CCc2nc(CN(CCC[NH3+])Cc3ccccc3)sc2C1 ZINC000479965596 502433043 /nfs/dbraw/zinc/43/30/43/502433043.db2.gz VYMLJTSQGKDEBK-UHFFFAOYSA-N 2 0 358.555 3.261 20 0 FGADRP COc1ccc(OC)c([C@@H](C)[NH2+]C2CCN(Cc3ccccn3)CC2)c1 ZINC000479997079 502440578 /nfs/dbraw/zinc/44/05/78/502440578.db2.gz RDMXJHJRUSTRBH-MRXNPFEDSA-N 2 0 355.482 3.414 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NCc2ccccc2C[NH+]2CCCC2)C[C@@H]1C ZINC000483682957 502461932 /nfs/dbraw/zinc/46/19/32/502461932.db2.gz LDBCEFXRVZMFJB-RXVVDRJESA-N 2 0 372.557 3.297 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NCCCC[NH+]2CCC[C@@H](C)C2)C[C@H]1C ZINC000483684653 502463666 /nfs/dbraw/zinc/46/36/66/502463666.db2.gz NTPNPGLJYBWDCE-QRVBRYPASA-N 2 0 352.567 3.013 20 0 FGADRP COc1cc2c(cc1F)[nH+]ccc2N1CC[C@H](OCC[NH+]2CCCCC2)C1 ZINC000480082450 502467608 /nfs/dbraw/zinc/46/76/08/502467608.db2.gz DPXHUJFHYWUGSF-INIZCTEOSA-N 2 0 373.472 3.464 20 0 FGADRP C[C@H](CCNC(=O)N1CCC[C@@H]([NH+]2CCCC2)C1)[N@H+](C)Cc1ccccc1 ZINC000473020078 502502432 /nfs/dbraw/zinc/50/24/32/502502432.db2.gz FDSFRDMRRPGLSM-TZIWHRDSSA-N 2 0 372.557 3.167 20 0 FGADRP C[C@@H]1C[N@@H+](CC2CC[NH+](CCO[C@@H]3CCCC[C@@H]3C)CC2)C[C@H](C)O1 ZINC000588709827 506317819 /nfs/dbraw/zinc/31/78/19/506317819.db2.gz DTULDVXGASFGTN-CTAFRAEOSA-N 2 0 352.563 3.403 20 0 FGADRP C[C@H](CNC(=O)N[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)C[NH+]1CCCCC1 ZINC000466242325 502514757 /nfs/dbraw/zinc/51/47/57/502514757.db2.gz URQNKFVPIZIUKM-SFHLNBCPSA-N 2 0 372.557 3.071 20 0 FGADRP CCC[N@H+](CC)CCNC(=O)N1CC[C@H](C)[NH+](Cc2ccccc2)CC1 ZINC000473183802 502538730 /nfs/dbraw/zinc/53/87/30/502538730.db2.gz CAILLLNGQOZJGW-IBGZPJMESA-N 2 0 360.546 3.024 20 0 FGADRP C[C@@H]1C[C@H]1[N@@H+]1CCN(C(=O)NCCCC[NH+]2CCCC[C@@H]2C)C[C@@H](C)C1 ZINC000487822828 502539803 /nfs/dbraw/zinc/53/98/03/502539803.db2.gz QGQATSULXOCEFY-ZGXWSNOMSA-N 2 0 364.578 3.013 20 0 FGADRP C[NH+]1CCC(C[NH2+][C@@H]2CCC[C@@H]([C@H]3CCOC3)C2)(N2CCCCC2)CC1 ZINC000466342460 502542166 /nfs/dbraw/zinc/54/21/66/502542166.db2.gz DNPBELQURVFIOX-QHAWAJNXSA-N 2 0 363.590 3.122 20 0 FGADRP C[NH+](C)[C@@H]1CCCN(C(=O)NC[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)C1 ZINC000462750261 502556494 /nfs/dbraw/zinc/55/64/94/502556494.db2.gz NKLSFKADLOLASZ-LEWJYISDSA-N 2 0 372.557 3.024 20 0 FGADRP [NH3+]CCCOC1CC[NH+](Cc2c(Cl)cccc2N2CCCC2)CC1 ZINC000469854794 502568948 /nfs/dbraw/zinc/56/89/48/502568948.db2.gz GYLYPDBRZUNNEL-UHFFFAOYSA-N 2 0 351.922 3.270 20 0 FGADRP CC(C)[C@H](C(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)[NH+](C)C)[NH+](C)C ZINC000469883212 502582181 /nfs/dbraw/zinc/58/21/81/502582181.db2.gz HTWULNGKXLPJAX-JKSUJKDBSA-N 2 0 359.436 3.011 20 0 FGADRP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CC[NH+](C3CCC3)C[C@@H](C)C2)C1 ZINC000487965480 502582205 /nfs/dbraw/zinc/58/22/05/502582205.db2.gz TWJFUHGIZCYYSZ-ZWKOTPCHSA-N 2 0 364.578 3.013 20 0 FGADRP C[C@H]([NH2+]Cc1c2c(nn1C)CCCC2)c1cccc(OCC[NH+](C)C)c1 ZINC000462812686 502584590 /nfs/dbraw/zinc/58/45/90/502584590.db2.gz ORHBZBHWRMCHRG-INIZCTEOSA-N 2 0 356.514 3.090 20 0 FGADRP C[C@H](NC(=O)NCc1cccc(C[NH+](C)C)c1)[C@@H](c1ccccc1)[NH+](C)C ZINC000480572081 502607194 /nfs/dbraw/zinc/60/71/94/502607194.db2.gz RIQKQXXRZXJMGQ-UWJYYQICSA-N 2 0 368.525 3.239 20 0 FGADRP CCC[NH+]1CCC(C[NH2+][C@@H](C)[C@@H](c2ccccc2)N2CCOCC2)CC1 ZINC000480584147 502610271 /nfs/dbraw/zinc/61/02/71/502610271.db2.gz PKBTZWAZFSBTQE-UGKGYDQZSA-N 2 0 359.558 3.160 20 0 FGADRP CCC[NH+]1CCC(C[NH2+][C@H](C)[C@@H](c2ccccc2)N2CCOCC2)CC1 ZINC000480584143 502610927 /nfs/dbraw/zinc/61/09/27/502610927.db2.gz PKBTZWAZFSBTQE-KNQAVFIVSA-N 2 0 359.558 3.160 20 0 FGADRP CC[C@H](C)[NH2+][C@@H](CNC(=O)NC1CC[NH+](C(C)(C)C)CC1)c1ccco1 ZINC000484365747 502633174 /nfs/dbraw/zinc/63/31/74/502633174.db2.gz HDWJJXOBELOMTM-RDJZCZTQSA-N 2 0 364.534 3.271 20 0 FGADRP C[C@@H]1CN(C(=O)NCCC[NH+](C)Cc2ccccc2)CC[N@@H+](C2CCC2)C1 ZINC000488172516 502646890 /nfs/dbraw/zinc/64/68/90/502646890.db2.gz BMGVQMJOYOZLCZ-IBGZPJMESA-N 2 0 372.557 3.024 20 0 FGADRP CC(C)[C@H](CNC1CC[NH+](Cc2ccccn2)CC1)[NH+]1CCC(C)CC1 ZINC000480741798 502657943 /nfs/dbraw/zinc/65/79/43/502657943.db2.gz AMUPFCMBVHPVAD-QFIPXVFZSA-N 2 0 358.574 3.392 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H](NC[C@H](C(C)C)[NH+]2CCC(C)CC2)[C@H](C)C1 ZINC000480763951 502663989 /nfs/dbraw/zinc/66/39/89/502663989.db2.gz WZFVMFBBQASBDO-BHIFYINESA-N 2 0 367.622 3.470 20 0 FGADRP CC[NH+]1CCN(CCC[NH2+][C@H](C)c2ccc(-c3ccncc3)cc2)CC1 ZINC000480778895 502668697 /nfs/dbraw/zinc/66/86/97/502668697.db2.gz LXPRJTBNBFJSQF-LJQANCHMSA-N 2 0 352.526 3.427 20 0 FGADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC000484639084 502692009 /nfs/dbraw/zinc/69/20/09/502692009.db2.gz CPPHQOULIRDXIS-CMZZOHRZSA-N 2 0 370.541 3.089 20 0 FGADRP CCN1CC[NH+](CCCC[NH2+][C@H]2CCN(Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000463137905 502704835 /nfs/dbraw/zinc/70/48/35/502704835.db2.gz AKZUSAAZSZVXJN-GMAHTHKFSA-N 2 0 372.601 3.047 20 0 FGADRP c1ccc(C[N@@H+]2CC[C@H](N3CC[NH+]([C@H]4C[C@H]4c4ccccc4)CC3)C2)cc1 ZINC000463215177 502721580 /nfs/dbraw/zinc/72/15/80/502721580.db2.gz NXNTYIPSBZSMEI-HJOGWXRNSA-N 2 0 361.533 3.435 20 0 FGADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC000488487331 502729871 /nfs/dbraw/zinc/72/98/71/502729871.db2.gz ZIWRNIRDTCLWPM-PGRDOPGGSA-N 2 0 365.521 3.389 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H](NCC(C)(C)[NH+]2C[C@H](C)C[C@H](C)C2)[C@H](C)C1 ZINC000481033782 502735599 /nfs/dbraw/zinc/73/55/99/502735599.db2.gz HVDXLFVPOVCXEY-MHTWAQMVSA-N 2 0 367.622 3.470 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)N(CC[NH+](C)C)C1CCCC1 ZINC000463260274 502738691 /nfs/dbraw/zinc/73/86/91/502738691.db2.gz BTINZIMOXXJOMC-WIYYLYMNSA-N 2 0 372.557 3.023 20 0 FGADRP C[C@H](CCNC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C)[NH+]1CCCCC1 ZINC000463269736 502740892 /nfs/dbraw/zinc/74/08/92/502740892.db2.gz CANNWFPIQWLHNY-SFHLNBCPSA-N 2 0 372.557 3.071 20 0 FGADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)CN(C)Cc1ccccc1 ZINC000488536960 502743812 /nfs/dbraw/zinc/74/38/12/502743812.db2.gz XRWLMGDQLQMSBD-UGKGYDQZSA-N 2 0 365.521 3.145 20 0 FGADRP CCN(C(=O)N[C@@H]1CC[NH+](C2CC2)C1)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000473957584 502762254 /nfs/dbraw/zinc/76/22/54/502762254.db2.gz DBKUMQZGTFYFPI-DSKINZAPSA-N 2 0 370.541 3.090 20 0 FGADRP C[C@@H]([NH3+])[C@H]1CC[N@H+](CCC(=O)Nc2ccccc2Oc2ccccc2)C1 ZINC000484932130 502781011 /nfs/dbraw/zinc/78/10/11/502781011.db2.gz CXQAUEKCXVRZQF-SJORKVTESA-N 2 0 353.466 3.477 20 0 FGADRP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C[NH+]1[C@H](C)CC[C@@H]1C ZINC000470531407 502806085 /nfs/dbraw/zinc/80/60/85/502806085.db2.gz VBWYSJYRKHVMNF-SVFBPWRDSA-N 2 0 357.542 3.230 20 0 FGADRP CC[NH+](CC)CCOc1ccc(C(=O)NCC[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000495325095 502823777 /nfs/dbraw/zinc/82/37/77/502823777.db2.gz DJXNHHSBPWWDIY-SFHVURJKSA-N 2 0 361.530 3.011 20 0 FGADRP O=C([C@@H]1CCCC[N@@H+]1Cc1ccccc1)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000495669950 502857607 /nfs/dbraw/zinc/85/76/07/502857607.db2.gz QBNIAXJNDDKVKS-RTWAWAEBSA-N 2 0 355.526 3.032 20 0 FGADRP CCCCO[C@@H]1C[C@H]([N@H+](C)CCCN2CC[NH+](C(C)C)CC2)C1(C)C ZINC000500985377 502905946 /nfs/dbraw/zinc/90/59/46/502905946.db2.gz RUJJJXWAEVAZCQ-VQTJNVASSA-N 2 0 353.595 3.318 20 0 FGADRP CC(C)[NH+](CCCNC(=O)N1CC[N@@H+](C2CCC2)C[C@@H](C)C1)C(C)C ZINC000489241865 502908591 /nfs/dbraw/zinc/90/85/91/502908591.db2.gz XTORMUXWWFAENY-GOSISDBHSA-N 2 0 352.567 3.011 20 0 FGADRP CCO[C@@H]1C[C@H]([N@H+](C)CCCN2CC[NH+](C(C)C)CC2)C1(CC)CC ZINC000501006845 502910569 /nfs/dbraw/zinc/91/05/69/502910569.db2.gz ITAKBEJFKPKUDI-VQTJNVASSA-N 2 0 353.595 3.318 20 0 FGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]CCOCC(C)C)CC1 ZINC000501023047 502914245 /nfs/dbraw/zinc/91/42/45/502914245.db2.gz LXOLHADMOBQPGY-KRWDZBQOSA-N 2 0 351.510 3.291 20 0 FGADRP C[N@@H+](Cc1nc(-c2ccoc2)no1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501026029 502915197 /nfs/dbraw/zinc/91/51/97/502915197.db2.gz HUMMGJIMQRCOQW-UHFFFAOYSA-N 2 0 353.426 3.073 20 0 FGADRP C[C@@H](C(=O)N[C@H]1CCCC[C@H]1C)[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501054757 502923251 /nfs/dbraw/zinc/92/32/51/502923251.db2.gz VBGWNIADWICTEV-LQWHRVPQSA-N 2 0 372.557 3.313 20 0 FGADRP COc1cccc([C@H]2C[C@@H](C)C[N@@H+]2CCCN2CC[NH+](C(C)C)CC2)c1 ZINC000501063144 502925716 /nfs/dbraw/zinc/92/57/16/502925716.db2.gz GFZZFNHEBJMCOR-DENIHFKCSA-N 2 0 359.558 3.494 20 0 FGADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)NC[C@H](C1CCCCC1)[NH+](C)C ZINC000501069428 502927098 /nfs/dbraw/zinc/92/70/98/502927098.db2.gz PJNCQKFATKEVCZ-RTBURBONSA-N 2 0 352.567 3.061 20 0 FGADRP COC(=O)c1cc(F)ccc1C[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501072149 502928623 /nfs/dbraw/zinc/92/86/23/502928623.db2.gz ZJTYHXNHYQOKOI-UHFFFAOYSA-N 2 0 371.456 3.356 20 0 FGADRP CC(C)[C@@H](CNC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)[NH+]1CCC(C)CC1 ZINC000501161297 502951267 /nfs/dbraw/zinc/95/12/67/502951267.db2.gz DRCHJCYKMMHPPH-GOSISDBHSA-N 2 0 366.594 3.351 20 0 FGADRP CC(C)[C@H](CNC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)[NH+]1CCC(C)CC1 ZINC000501186636 502955705 /nfs/dbraw/zinc/95/57/05/502955705.db2.gz KGISGEJGCBUPKG-SFTDATJTSA-N 2 0 374.573 3.345 20 0 FGADRP CCc1ccc(NC(=O)N(CC[NH+](C)C)C[C@@H]2CCC[N@H+]2CC)cc1F ZINC000501244691 502965859 /nfs/dbraw/zinc/96/58/59/502965859.db2.gz KQSUBUJTJOIQLJ-SFHVURJKSA-N 2 0 364.509 3.268 20 0 FGADRP CN(C)[C@@H](C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)c1ccccc1 ZINC000513580686 502970086 /nfs/dbraw/zinc/97/00/86/502970086.db2.gz QMVQLSKBAKXBKG-LEWJYISDSA-N 2 0 351.494 3.070 20 0 FGADRP O=C(NCc1ccccc1C[NH+]1CCCCC1)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000505709351 502970898 /nfs/dbraw/zinc/97/08/98/502970898.db2.gz OTVJTWCQOHJKGN-SFTDATJTSA-N 2 0 370.541 3.099 20 0 FGADRP C[C@H](NC(=O)NC[C@@H](c1cccs1)[NH+](C)C)[C@@H](c1ccccc1)[NH+](C)C ZINC000505726875 502974269 /nfs/dbraw/zinc/97/42/69/502974269.db2.gz NWSMVJHKINHBFV-IEZWGBDMSA-N 2 0 374.554 3.341 20 0 FGADRP CCc1sc(C(=O)N(CC[NH+](C)C)C[C@H]2CCC[N@H+]2CC)cc1C ZINC000505824856 502993729 /nfs/dbraw/zinc/99/37/29/502993729.db2.gz NBFYNEKMWRBJSW-MRXNPFEDSA-N 2 0 351.560 3.107 20 0 FGADRP C[N@H+](Cc1ccccc1)[C@@H](CNC(=O)CC[C@H]1CCCC[NH+]1C)C1CC1 ZINC000505835283 502996063 /nfs/dbraw/zinc/99/60/63/502996063.db2.gz WPUHCTARAQQJQR-RTWAWAEBSA-N 2 0 357.542 3.278 20 0 FGADRP CC(C)NC(=O)CC[NH2+][C@@H]1CCCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000513672836 502997066 /nfs/dbraw/zinc/99/70/66/502997066.db2.gz MRURYTRNUXNNCY-NJDAHSKKSA-N 2 0 357.542 3.182 20 0 FGADRP C[NH+](C)[C@@H](CNC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)C1CCCCC1 ZINC000501383871 502997419 /nfs/dbraw/zinc/99/74/19/502997419.db2.gz AOUAJAXSVQRTQO-SFTDATJTSA-N 2 0 372.557 3.071 20 0 FGADRP C[NH+](C)[C@H](CNC(=O)N1CCC([NH+]2CCCCC2)CC1)C1CCCCC1 ZINC000501402013 503002293 /nfs/dbraw/zinc/00/22/93/503002293.db2.gz XUUQQWNSIRUING-HXUWFJFHSA-N 2 0 364.578 3.157 20 0 FGADRP C[NH+](C)CCN(CC1CCCCC1)C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000489758588 503026994 /nfs/dbraw/zinc/02/69/94/503026994.db2.gz NXDDLONZOZASBP-OALUTQOASA-N 2 0 352.567 3.013 20 0 FGADRP CC[NH+](CC)Cc1ccc(CNC(=O)NCC[N@@H+]2CCCC[C@H]2C)cc1 ZINC000501524358 503028610 /nfs/dbraw/zinc/02/86/10/503028610.db2.gz RCQQCZPGIWRHLJ-GOSISDBHSA-N 2 0 360.546 3.202 20 0 FGADRP Fc1ccc(SCC[NH+]2CCC(CC[NH+]3CCOCC3)CC2)cc1 ZINC000513818885 503029734 /nfs/dbraw/zinc/02/97/34/503029734.db2.gz LUOUNBQZDKFQKE-UHFFFAOYSA-N 2 0 352.519 3.352 20 0 FGADRP CC[NH+](CC)CC1CCN(C(=O)NC[C@H](C)[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000501550416 503035537 /nfs/dbraw/zinc/03/55/37/503035537.db2.gz KPQHIDYMQMMJFM-ROUUACIJSA-N 2 0 352.567 3.013 20 0 FGADRP C[NH+](C)[C@H](CNC(=O)NCCC[N@H+](C)C1CCCCC1)Cc1ccccc1 ZINC000501581518 503043952 /nfs/dbraw/zinc/04/39/52/503043952.db2.gz QBDIMKDRULJGHF-NRFANRHFSA-N 2 0 374.573 3.113 20 0 FGADRP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)NCCC[N@H+](C)Cc2ccccc2)C1 ZINC000501734501 503069322 /nfs/dbraw/zinc/06/93/22/503069322.db2.gz OLPYDSVTLYFRES-WOJBJXKFSA-N 2 0 374.573 3.176 20 0 FGADRP CCc1ccc([C@@H](CNC(=O)N[C@@H](C)C[NH+]2CCCCC2)[NH+](C)C)cc1 ZINC000501811391 503084717 /nfs/dbraw/zinc/08/47/17/503084717.db2.gz XMVJWSFEJSMYCI-FXAWDEMLSA-N 2 0 360.546 3.025 20 0 FGADRP C[C@H](CCNC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H]1C)[NH+]1CCCCC1 ZINC000501821470 503087890 /nfs/dbraw/zinc/08/78/90/503087890.db2.gz FRVIBQGVISHUNP-DYXWJJEUSA-N 2 0 372.557 3.213 20 0 FGADRP CC(C)[C@H](C[NH2+][C@@H](C)CCc1ccc(F)cc1F)N1CC[NH+](C)CC1 ZINC000514100998 503087963 /nfs/dbraw/zinc/08/79/63/503087963.db2.gz YRHHPMYLBIGECK-JXFKEZNVSA-N 2 0 353.501 3.148 20 0 FGADRP C[C@H](C[NH+]1CCCCC1)NC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000501842187 503091559 /nfs/dbraw/zinc/09/15/59/503091559.db2.gz LTHNOPQKQHSNSE-LJQANCHMSA-N 2 0 372.557 3.346 20 0 FGADRP CCC(CC)[C@H](CNC(=O)N1CCCC12CC[NH+](C)CC2)[NH+]1CCCC1 ZINC000510323653 503092041 /nfs/dbraw/zinc/09/20/41/503092041.db2.gz BFRQVJQZXZRPBH-IBGZPJMESA-N 2 0 364.578 3.157 20 0 FGADRP CC[NH+]1CCC(NC(=O)NCC[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC000510336830 503094479 /nfs/dbraw/zinc/09/44/79/503094479.db2.gz NPKNONXPQKASOR-QUCCMNQESA-N 2 0 372.557 3.071 20 0 FGADRP CC[NH+]1CCN(c2ccccc2CN2CCC([NH+]3CCCCC3)CC2)CC1 ZINC000506339575 503097253 /nfs/dbraw/zinc/09/72/53/503097253.db2.gz JBTXTBCLMDLVDG-UHFFFAOYSA-N 2 0 370.585 3.279 20 0 FGADRP CC[NH+]1CCN(Cc2ccc(NC(=O)[C@@H](C)[NH+]3CCCCCC3)cc2)CC1 ZINC000510351964 503097638 /nfs/dbraw/zinc/09/76/38/503097638.db2.gz ITDJWOGEURSZOE-LJQANCHMSA-N 2 0 372.557 3.027 20 0 FGADRP C[C@H](CNC(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1)[NH+]1CCC(C)CC1 ZINC000514206298 503112363 /nfs/dbraw/zinc/11/23/63/503112363.db2.gz NPMYYGVTBIETJU-TZIWHRDSSA-N 2 0 372.557 3.243 20 0 FGADRP CC(C)Cn1ccnc1CNC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C ZINC000498155392 503119997 /nfs/dbraw/zinc/11/99/97/503119997.db2.gz JHDYLEMHSPKNRW-MJGOQNOKSA-N 2 0 369.513 3.001 20 0 FGADRP Cc1ccccc1[C@@H]([C@H](C)NC(=O)c1ccc(C[NH+](C)C)cc1)[NH+](C)C ZINC000510538943 503138315 /nfs/dbraw/zinc/13/83/15/503138315.db2.gz LRIOKLUAPWGQSW-LAUBAEHRSA-N 2 0 353.510 3.478 20 0 FGADRP CCC[NH+]1CCC(CNC(=O)N2CC[NH+](CC3CCCCC3)CC2)CC1 ZINC000502130460 503148361 /nfs/dbraw/zinc/14/83/61/503148361.db2.gz SUVVYYFGIJZACH-UHFFFAOYSA-N 2 0 364.578 3.016 20 0 FGADRP CCN(CC[NH+]1CCCCCC1)C(=O)NCCC1CC[NH+](CC)CC1 ZINC000498386632 503175165 /nfs/dbraw/zinc/17/51/65/503175165.db2.gz AXEKZTJPJZOJII-UHFFFAOYSA-N 2 0 352.567 3.016 20 0 FGADRP Cc1cc(C)n(-c2ccc(C[NH+]3CCC([C@H]4C[C@@H]([NH3+])CCO4)CC3)cc2)n1 ZINC000514733760 503179909 /nfs/dbraw/zinc/17/99/09/503179909.db2.gz ODJSBBNXNXVSFH-RBBKRZOGSA-N 2 0 368.525 3.207 20 0 FGADRP CC[NH+]1CCC(CCNC(=O)N[C@H](C)[C@H](c2ccccc2C)[NH+](C)C)CC1 ZINC000498412668 503182016 /nfs/dbraw/zinc/18/20/16/503182016.db2.gz IDNNNQYDXBWFBH-WIYYLYMNSA-N 2 0 374.573 3.407 20 0 FGADRP CN(CCC[N@H+](C)Cc1c[nH]nc1-c1cccc(Cl)c1)CC[NH+](C)C ZINC000514818408 503200836 /nfs/dbraw/zinc/20/08/36/503200836.db2.gz SGEZLOFATPSDGB-UHFFFAOYSA-N 2 0 363.937 3.045 20 0 FGADRP Cc1ccc(-c2nc(CN3CC[C@H]([NH+]4CCN(C)CC4)[C@@H](C)C3)cs2)o1 ZINC000490651150 503209817 /nfs/dbraw/zinc/20/98/17/503209817.db2.gz RCEPSUODZOCILD-YJBOKZPZSA-N 2 0 374.554 3.169 20 0 FGADRP Cc1nccn1CCC[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000510980986 503229182 /nfs/dbraw/zinc/22/91/82/503229182.db2.gz RGRTXMSXHGGRQZ-FDFHNCONSA-N 2 0 352.526 3.472 20 0 FGADRP O=C([C@H]1CCC[N@H+](Cc2ccccc2)C1)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000502574457 503229710 /nfs/dbraw/zinc/22/97/10/503229710.db2.gz JOZJOXBJMXIWRC-FCHUYYIVSA-N 2 0 369.553 3.376 20 0 FGADRP C[C@H]1C[N@H+](CCc2ccc3ccccc3c2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000490962966 503252506 /nfs/dbraw/zinc/25/25/06/503252506.db2.gz WWQPTYKXKNUUGZ-WMZHIEFXSA-N 2 0 351.538 3.340 20 0 FGADRP CC1CC[NH+](Cc2cccc(CNC(=O)N3CC[N@H+](C)CC[C@@H]3C)c2)CC1 ZINC000502763301 503266453 /nfs/dbraw/zinc/26/64/53/503266453.db2.gz OEZZHTAGTKSEOR-IBGZPJMESA-N 2 0 372.557 3.154 20 0 FGADRP CC1CC[NH+](CCCCNC(=O)NCCCC[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000502806347 503277097 /nfs/dbraw/zinc/27/70/97/503277097.db2.gz CWHYLICFPLOPKU-FQEVSTJZSA-N 2 0 366.594 3.310 20 0 FGADRP CC(C)[NH+](CCN(C)C(=O)NC[C@H](c1ccco1)[NH+]1CCCC1)C(C)C ZINC000502840443 503286029 /nfs/dbraw/zinc/28/60/29/503286029.db2.gz PPQXIBVFKYBZGQ-GOSISDBHSA-N 2 0 364.534 3.177 20 0 FGADRP CC(C)(CNC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1)[NH+]1CCCCC1 ZINC000502874997 503295641 /nfs/dbraw/zinc/29/56/41/503295641.db2.gz HKERIHDKCPHWAB-HXUWFJFHSA-N 2 0 357.542 3.279 20 0 FGADRP Cc1ccccc1[C@H]([C@H](C)NC(=O)NC[C@H]1CCCC[N@@H+]1C1CC1)[NH+](C)C ZINC000502897259 503302323 /nfs/dbraw/zinc/30/23/23/503302323.db2.gz WAQAMNLDEKPFRF-DSKINZAPSA-N 2 0 372.557 3.302 20 0 FGADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)NCC2([NH+](C)C)CCCCCC2)C1 ZINC000502896558 503302456 /nfs/dbraw/zinc/30/24/56/503302456.db2.gz VNHLLXWFKZCXOJ-LJQANCHMSA-N 2 0 366.594 3.452 20 0 FGADRP CN(C)[C@@H](C(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000515301583 503309772 /nfs/dbraw/zinc/30/97/72/503309772.db2.gz NFTTVHACOBNNCQ-LEWJYISDSA-N 2 0 351.494 3.022 20 0 FGADRP C[C@H](NC(=O)NCC[N@H+]1[C@H](C)CCC[C@@H]1C)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000511418876 503318285 /nfs/dbraw/zinc/31/82/85/503318285.db2.gz UWSUBCJMVGQNQO-ZSYWTGECSA-N 2 0 364.578 3.202 20 0 FGADRP C[NH+](C)[C@H](CNC(=O)CC[C@@H]1CCCC[N@@H+]1C)c1ccc(Cl)cc1 ZINC000515419610 503334808 /nfs/dbraw/zinc/33/48/08/503334808.db2.gz DARYQUZEGNUVJM-ZWKOTPCHSA-N 2 0 351.922 3.323 20 0 FGADRP COc1cccc([C@H](CNC(=O)[C@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)[NH+]2CCCC2)c1 ZINC000511530210 503338177 /nfs/dbraw/zinc/33/81/77/503338177.db2.gz GIOJHXCIYZXAGM-NYUBLWNDSA-N 2 0 373.541 3.210 20 0 FGADRP C[NH+]1CCC(C[NH2+][C@H]2CCc3c2c(F)ccc3F)(N2CCCCC2)CC1 ZINC000507816791 503373001 /nfs/dbraw/zinc/37/30/01/503373001.db2.gz YBHHIVOQXIWXKY-IBGZPJMESA-N 2 0 363.496 3.492 20 0 FGADRP c1nc([C@H]2CCC[N@@H+](CCOCCOc3ccccc3)C2)n2c1CCCC2 ZINC000503374694 503396783 /nfs/dbraw/zinc/39/67/83/503396783.db2.gz GXBYTGKJBJZZHO-IBGZPJMESA-N 2 0 369.509 3.494 20 0 FGADRP CCC1([NH+](C)C)CC[NH+](CC2(O)CCC(C(=O)OC(C)(C)C)CC2)CC1 ZINC000602966543 506369001 /nfs/dbraw/zinc/36/90/01/506369001.db2.gz IYHFWXBCNQLPSB-UHFFFAOYSA-N 2 0 368.562 3.056 20 0 FGADRP C[C@H](OC[C@H](O)C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1ccc(Cl)cc1 ZINC000515832087 503408478 /nfs/dbraw/zinc/40/84/78/503408478.db2.gz JCBUVNSPDMKEIH-CDVRGPTDSA-N 2 0 366.933 3.383 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC000503485129 503418765 /nfs/dbraw/zinc/41/87/65/503418765.db2.gz GCMMYFFZEIIIKJ-QWFCFKBJSA-N 2 0 373.541 3.078 20 0 FGADRP C[NH+](C)C1(CNC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)CCC1 ZINC000511962981 503424008 /nfs/dbraw/zinc/42/40/08/503424008.db2.gz ZGUUVKTZMCLMRV-LJQANCHMSA-N 2 0 372.557 3.071 20 0 FGADRP CCC[N@@H+]1CC[C@H](CNC(=O)N2C[C@H](C)[NH+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000499612168 503442843 /nfs/dbraw/zinc/44/28/43/503442843.db2.gz ZDPTVEJNGNIKKL-IRFCIJBXSA-N 2 0 372.557 3.023 20 0 FGADRP C[C@@H]([NH3+])[C@@H](C)C(=O)N(CC[N@H+](C)Cc1ccccc1)Cc1ccccc1 ZINC000493824672 503448063 /nfs/dbraw/zinc/44/80/63/503448063.db2.gz TYQNOLKDQKVPHL-RTBURBONSA-N 2 0 353.510 3.131 20 0 FGADRP CO[C@H](c1ccccc1)[C@H](C)[NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000493883381 503452589 /nfs/dbraw/zinc/45/25/89/503452589.db2.gz OINILWMQNCDHSH-FPOVZHCZSA-N 2 0 359.558 3.303 20 0 FGADRP CN(C)Cc1cnc(C[NH2+]CC2CC[NH+](Cc3ccccc3)CC2)s1 ZINC000512090311 503455114 /nfs/dbraw/zinc/45/51/14/503455114.db2.gz VEUJTYJXBFAFMC-UHFFFAOYSA-N 2 0 358.555 3.207 20 0 FGADRP CCN(CCC[NH+]1CCCC1)C(=O)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000508214160 503455352 /nfs/dbraw/zinc/45/53/52/503455352.db2.gz AUSFPXTXTPFJRI-UHFFFAOYSA-N 2 0 352.482 3.195 20 0 FGADRP C[C@H]([NH2+]C(C)(C)CNC(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1)c1ccccc1 ZINC000503731053 503466365 /nfs/dbraw/zinc/46/63/65/503466365.db2.gz UAMLFGNCXKWVIO-PKOBYXMFSA-N 2 0 372.557 3.432 20 0 FGADRP Cc1cc([C@@H](C)[NH2+]C2CCN(CC[NH+](C)C)CC2)sc1Br ZINC000512145740 503468527 /nfs/dbraw/zinc/46/85/27/503468527.db2.gz NHRJOHHQZFZGKS-CYBMUJFWSA-N 2 0 374.392 3.496 20 0 FGADRP COCCOc1ccc(C[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)cc1OC ZINC000503801606 503473457 /nfs/dbraw/zinc/47/34/57/503473457.db2.gz ABNFJKDQJDDICT-UHFFFAOYSA-N 2 0 350.503 3.119 20 0 FGADRP CC(C)COc1ccccc1C[N@@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000516224929 503476271 /nfs/dbraw/zinc/47/62/71/503476271.db2.gz QFECWFRFUHWKTG-OAQYLSRUSA-N 2 0 359.558 3.322 20 0 FGADRP C[C@H]1[C@@H](NC(=O)c2ccccc2C[NH+](C)C)CC[N@@H+]1Cc1ccccc1 ZINC000494067937 503482860 /nfs/dbraw/zinc/48/28/60/503482860.db2.gz CUOWMJMGYFKGQH-UWJYYQICSA-N 2 0 351.494 3.141 20 0 FGADRP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2C[C@H](C)CC[C@@H]2c2ccccc2)CC1 ZINC000512195459 503482997 /nfs/dbraw/zinc/48/29/97/503482997.db2.gz NUGBASLNCYJXIR-WIYYLYMNSA-N 2 0 357.542 3.449 20 0 FGADRP CC(C)[NH+](CCN(C)C(=O)NCc1ccc(F)c(C[NH+](C)C)c1)C(C)C ZINC000503903985 503486448 /nfs/dbraw/zinc/48/64/48/503486448.db2.gz URLIPYMJZRBVSD-UHFFFAOYSA-N 2 0 366.525 3.148 20 0 FGADRP C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000516328655 503494908 /nfs/dbraw/zinc/49/49/08/503494908.db2.gz AXFHDHJBLCNJQH-HMXCVIKNSA-N 2 0 370.541 3.092 20 0 FGADRP O=C(CC[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1)NC1CCCC1 ZINC000512286010 503509450 /nfs/dbraw/zinc/50/94/50/503509450.db2.gz MYEPCZIYKOHFAH-QFIPXVFZSA-N 2 0 355.526 3.033 20 0 FGADRP CC(C)[NH+](CCN(C)C(=O)NC[C@H](c1ccsc1)[NH+](C)C)C(C)C ZINC000504011090 503510270 /nfs/dbraw/zinc/51/02/70/503510270.db2.gz YHMRJQNGGNUVRA-QGZVFWFLSA-N 2 0 354.564 3.111 20 0 FGADRP COc1ccc(Cl)cc1NC(=O)CC[N@H+](C)CCC[NH+]1CCCC1 ZINC000499934176 503514266 /nfs/dbraw/zinc/51/42/66/503514266.db2.gz FODDYVOTRBEJFO-UHFFFAOYSA-N 2 0 353.894 3.095 20 0 FGADRP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N(CC[NH+](C)C)Cc1ccccc1 ZINC000504177285 503535393 /nfs/dbraw/zinc/53/53/93/503535393.db2.gz PSXJUWANVXAJRJ-ZCNNSNEGSA-N 2 0 374.573 3.126 20 0 FGADRP CC(C)[NH+]1CCN(C(=O)NCC[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC000512407563 503539901 /nfs/dbraw/zinc/53/99/01/503539901.db2.gz WMVPTGWQBPVRNQ-CTNGQTDRSA-N 2 0 372.557 3.023 20 0 FGADRP C[C@@H](Nc1ccc(N2CCOCC2)nc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508700190 503546203 /nfs/dbraw/zinc/54/62/03/503546203.db2.gz SHVUAJOZNOQXIK-UYAOXDASSA-N 2 0 366.509 3.241 20 0 FGADRP c1c(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)[nH]nc1-c1ccccc1 ZINC000512433401 503549145 /nfs/dbraw/zinc/54/91/45/503549145.db2.gz LMVGNWCCFLVGNH-UHFFFAOYSA-N 2 0 354.498 3.011 20 0 FGADRP C[C@H](N[C@H](CO)c1c(F)cccc1F)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508719164 503550355 /nfs/dbraw/zinc/55/03/55/503550355.db2.gz KMCJKGKTPFGLCV-RIFZZMRRSA-N 2 0 360.448 3.498 20 0 FGADRP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]Cc3ccccc3Cn3cncn3)CC2)C1 ZINC000508730736 503552913 /nfs/dbraw/zinc/55/29/13/503552913.db2.gz ROBVMPTVWDTTLW-XMSQKQJNSA-N 2 0 367.541 3.459 20 0 FGADRP C[C@H](CNC(=O)NCc1cccc(C[NH+]2CCCC2)c1)[N@@H+]1CCC[C@@H](C)C1 ZINC000500102738 503554728 /nfs/dbraw/zinc/55/47/28/503554728.db2.gz FSVVDRBVNAJEMV-RTBURBONSA-N 2 0 372.557 3.202 20 0 FGADRP O[C@@H](C[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1)Cc1cccc(Cl)c1 ZINC000516645596 503559169 /nfs/dbraw/zinc/55/91/69/503559169.db2.gz IIVMHFFSKRQYAM-PZJWPPBQSA-N 2 0 358.913 3.355 20 0 FGADRP CC(C)[NH+](CCN(C)C(=O)N[C@@H](C)[C@H](c1ccccc1)[NH+](C)C)C(C)C ZINC000508894019 503592337 /nfs/dbraw/zinc/59/23/37/503592337.db2.gz JYNITIOQJZIKCQ-AZUAARDMSA-N 2 0 362.562 3.438 20 0 FGADRP C[C@@H](NC(=O)N1CCC(C[NH+]2CCCC2)CC1)[C@H](c1ccccc1)[NH+](C)C ZINC000508901107 503594917 /nfs/dbraw/zinc/59/49/17/503594917.db2.gz UEWPCOAGWWMEDW-WIYYLYMNSA-N 2 0 372.557 3.195 20 0 FGADRP Cc1ccccc1[C@H]([C@H](C)NC(=O)N1CCC([NH+]2CCCC2)CC1)[NH+](C)C ZINC000508926896 503602065 /nfs/dbraw/zinc/60/20/65/503602065.db2.gz WMAITRORPNEQMI-RXVVDRJESA-N 2 0 372.557 3.256 20 0 FGADRP CC(C)[NH+]1CCN([C@H]2CC[N@H+](Cc3cccc4c3OC(C)(C)C4)C2)CC1 ZINC000536666018 503668622 /nfs/dbraw/zinc/66/86/22/503668622.db2.gz ARCWIABADLZYOU-FQEVSTJZSA-N 2 0 357.542 3.000 20 0 FGADRP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]C[C@H]2CCC(C)(C)O2)CC1 ZINC000495189829 503695343 /nfs/dbraw/zinc/69/53/43/503695343.db2.gz IUPZIOXXBGHHTD-OAHLLOKOSA-N 2 0 351.922 3.139 20 0 FGADRP Cc1c([C@@H](C)[NH2+]CCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)nnn1-c1ccccc1 ZINC000540169701 503695961 /nfs/dbraw/zinc/69/59/61/503695961.db2.gz HTRJRDUSHXVDFU-FGTMMUONSA-N 2 0 371.529 3.116 20 0 FGADRP CC[C@H](C)[C@H](C)[NH2+][C@H](C)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000540187087 503701538 /nfs/dbraw/zinc/70/15/38/503701538.db2.gz HCKRZKAQAJYVRI-YESZJQIVSA-N 2 0 369.575 3.002 20 0 FGADRP CC(C)[N@@H+]1CC[C@@H](CNC(=O)[C@@]23CCC[C@@H]2C[NH+](Cc2ccccc2)C3)C1 ZINC000527199058 503715635 /nfs/dbraw/zinc/71/56/35/503715635.db2.gz PAYDYOKMJLKPCN-QZNHQXDQSA-N 2 0 369.553 3.135 20 0 FGADRP C[C@@H]1C[C@H]([NH2+]Cc2ccc3c(c2)sc(=O)n3C)CN1Cc1ccccc1 ZINC000527230398 503729903 /nfs/dbraw/zinc/72/99/03/503729903.db2.gz APGRAGBFTOPEHA-QAPCUYQASA-N 2 0 367.518 3.353 20 0 FGADRP CCC[NH+]1CCC(Nc2cc(NC3CC[NH+](CCC)CC3)[nH+]c(C)n2)CC1 ZINC000533101069 503731285 /nfs/dbraw/zinc/73/12/85/503731285.db2.gz XFDBEMDYJGRLFM-UHFFFAOYSA-N 3 0 374.577 3.358 20 0 FGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]C2CCC(c3nc(C)no3)CC2)[C@H](C)C1 ZINC000536845938 503737834 /nfs/dbraw/zinc/73/78/34/503737834.db2.gz NGVFMQGZKOSZFR-JYPHPWERSA-N 2 0 364.534 3.131 20 0 FGADRP CC[N@@H+]1CC[C@@H](CNC(=O)Nc2ccc(OCC[NH+]3CCCCC3)cc2)C1 ZINC000533181472 503751747 /nfs/dbraw/zinc/75/17/47/503751747.db2.gz CXZADTHSHVTOKL-SFHVURJKSA-N 2 0 374.529 3.015 20 0 FGADRP Cc1ccccc1[C@@H](CN1CCOCC1)[NH2+]CCCC[N@H+]1CCC[C@H](C)C1 ZINC000543406858 503757382 /nfs/dbraw/zinc/75/73/82/503757382.db2.gz MYHKBYGWNFSDJE-NZQKXSOJSA-N 2 0 373.585 3.470 20 0 FGADRP O=C(NCC[NH+]1CCCC1)c1ccc(C[NH2+][C@@H]2CCC[C@H]2C2CC2)cc1 ZINC000537015733 503777069 /nfs/dbraw/zinc/77/70/69/503777069.db2.gz JGPUIQLQYZLLPI-LEWJYISDSA-N 2 0 355.526 3.181 20 0 FGADRP CCn1cc(C[NH2+]CCc2ccc(OCC[NH+]3C[C@H](C)[C@@H](C)C3)cc2)cn1 ZINC000537024348 503779395 /nfs/dbraw/zinc/77/93/95/503779395.db2.gz IGKSZXIQLJPMKO-OALUTQOASA-N 2 0 370.541 3.202 20 0 FGADRP CCC[NH+]1CCC([NH2+][C@H](CC)[C@H](c2ccc(C)cc2)n2cncn2)CC1 ZINC000537094367 503800005 /nfs/dbraw/zinc/80/00/05/503800005.db2.gz BBWBBHJYPBIHIR-RTWAWAEBSA-N 2 0 355.530 3.419 20 0 FGADRP COc1ccc(C[NH+]2CCC(C)(C[NH+]3CCN(C)CC3)CC2)c(Cl)c1 ZINC000543616785 503828893 /nfs/dbraw/zinc/82/88/93/503828893.db2.gz JFAHITCEXMBHLR-UHFFFAOYSA-N 2 0 365.949 3.198 20 0 FGADRP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000543655716 503842161 /nfs/dbraw/zinc/84/21/61/503842161.db2.gz GJCKCAFYIAKHBF-KRWDZBQOSA-N 2 0 352.567 3.013 20 0 FGADRP CC(C)[C@@H](CNC(=O)N1CCC[C@H]1C[NH+]1CCCC1)[NH+]1CCC(C)CC1 ZINC000517917094 503866554 /nfs/dbraw/zinc/86/65/54/503866554.db2.gz RZJRLUUMWPFMOP-VQTJNVASSA-N 2 0 364.578 3.013 20 0 FGADRP Clc1cccc(OCCC[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)c1 ZINC000530239630 503889891 /nfs/dbraw/zinc/88/98/91/503889891.db2.gz HEFHLKFVANHJSH-IBGZPJMESA-N 2 0 352.906 3.199 20 0 FGADRP C[NH+]1CCN(CCOc2ccc(-c3ccc(/C=C/CC[NH3+])cc3)cc2)CC1 ZINC000530247986 503893412 /nfs/dbraw/zinc/89/34/12/503893412.db2.gz DPBGOVSOMWXPSN-DUXPYHPUSA-N 2 0 365.521 3.342 20 0 FGADRP CCOc1c(Cl)cccc1C[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530249676 503893826 /nfs/dbraw/zinc/89/38/26/503893826.db2.gz XKYXEPDOXOEOOA-KRWDZBQOSA-N 2 0 352.906 3.329 20 0 FGADRP CCO[C@@H]1C[C@H]([NH2+][C@H](C)c2cccc(OCC[NH+](C)C)c2)[C@@]12CCCO2 ZINC000546874260 503911932 /nfs/dbraw/zinc/91/19/32/503911932.db2.gz KSGWBDJOCWTTJV-RCOXNQKVSA-N 2 0 362.514 3.004 20 0 FGADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000518205934 503927660 /nfs/dbraw/zinc/92/76/60/503927660.db2.gz SLVJFKOTRWPCPR-SJORKVTESA-N 2 0 366.575 3.305 20 0 FGADRP C[C@@H]1Cc2ccc(F)cc2[C@H]1[NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000540991595 503967455 /nfs/dbraw/zinc/96/74/55/503967455.db2.gz HMXMOEKJIDKPHI-QPJICYPMSA-N 2 0 354.469 3.415 20 0 FGADRP CC[N@H+](CCNC(=O)[C@H](C)[NH+]1CCC(Cc2ccccc2)CC1)C(C)C ZINC000518456839 503990165 /nfs/dbraw/zinc/99/01/65/503990165.db2.gz BMSYYXWUJZBMCD-IBGZPJMESA-N 2 0 359.558 3.176 20 0 FGADRP C[C@@H](C(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000518457908 503991814 /nfs/dbraw/zinc/99/18/14/503991814.db2.gz WCNHAUQHGJYCSG-OTWHNJEPSA-N 2 0 373.541 3.039 20 0 FGADRP CC[N@H+](C)Cc1cccc(C[NH2+]C[C@H](O)COc2ccccc2Cl)c1 ZINC000518519471 504007908 /nfs/dbraw/zinc/00/79/08/504007908.db2.gz TZGNIHMQMQEJKN-SFHVURJKSA-N 2 0 362.901 3.321 20 0 FGADRP C[N@@H+]1CC[C@H](NC(=O)N2CC[NH+](C3CCCCC3)CC2)[C@H]1c1ccccc1 ZINC000533986796 504010259 /nfs/dbraw/zinc/01/02/59/504010259.db2.gz VISIPKMMKBLGGP-LEWJYISDSA-N 2 0 370.541 3.092 20 0 FGADRP C[C@@H]([NH2+]Cc1ccc2cn(C)nc2c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000527961080 504018117 /nfs/dbraw/zinc/01/81/17/504018117.db2.gz GMBAUXQVMGBPHE-MRXNPFEDSA-N 2 0 352.482 3.365 20 0 FGADRP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)N2CC[C@H]([NH+]3CCCCC3)C2)C1 ZINC000518593125 504022101 /nfs/dbraw/zinc/02/21/01/504022101.db2.gz ZVGHPAPGGWYHBM-AQNXPRMDSA-N 2 0 364.578 3.014 20 0 FGADRP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000518598011 504024860 /nfs/dbraw/zinc/02/48/60/504024860.db2.gz ZPMMMXIXWBOOKV-SFHLNBCPSA-N 2 0 357.542 3.278 20 0 FGADRP CC[C@@H](CNCc1c(Cl)cccc1N1CC[NH+](C)CC1)[NH+]1CCCC1 ZINC000537748631 504026074 /nfs/dbraw/zinc/02/60/74/504026074.db2.gz RHIXFXHUEGCMLL-KRWDZBQOSA-N 2 0 364.965 3.056 20 0 FGADRP C[C@H]([NH2+]C[C@@H]1CCN1C1CCCC1)[C@H](c1ccccc1)N1CCOCC1 ZINC000528014443 504040303 /nfs/dbraw/zinc/04/03/03/504040303.db2.gz VVSYDEGBAOKUEK-YUXAGFNASA-N 2 0 357.542 3.055 20 0 FGADRP Cc1ccncc1[C@@H](C)[NH2+]CCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000537886775 504074279 /nfs/dbraw/zinc/07/42/79/504074279.db2.gz REUNXGJNCFQXNA-HXUWFJFHSA-N 2 0 352.526 3.249 20 0 FGADRP CC(C)[NH+](CCNC(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C)C(C)C ZINC000530838704 504102474 /nfs/dbraw/zinc/10/24/74/504102474.db2.gz IMKUWVQJZNZMRH-SFHVURJKSA-N 2 0 368.953 3.361 20 0 FGADRP C[NH+](C)Cc1ccc(CNC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)cc1 ZINC000519011591 504118090 /nfs/dbraw/zinc/11/80/90/504118090.db2.gz BGRIKJQUWCVQAI-NRFANRHFSA-N 2 0 351.494 3.029 20 0 FGADRP C[C@@H]([NH2+]CC1(O)Cc2ccccc2C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000547503545 504129468 /nfs/dbraw/zinc/12/94/68/504129468.db2.gz UURYTKKZQXZELS-GCJKJVERSA-N 2 0 350.506 3.017 20 0 FGADRP C[C@@H](CCNC(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1)[NH+]1CCCCC1 ZINC000541448710 504133315 /nfs/dbraw/zinc/13/33/15/504133315.db2.gz UBRMSOJYSPUZME-PZJWPPBQSA-N 2 0 372.557 3.387 20 0 FGADRP Cc1ncc2c(n1)CC[C@H]([NH2+]C1CC[NH+]([C@@H](C)Cc3ccccc3)CC1)C2 ZINC000519076318 504133437 /nfs/dbraw/zinc/13/34/37/504133437.db2.gz HKNPWMQZPYPVET-JTSKRJEESA-N 2 0 364.537 3.328 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)N2CCC[C@@H]2C[NH+]2CCCC2)C1 ZINC000519176474 504158202 /nfs/dbraw/zinc/15/82/02/504158202.db2.gz ZCWDGEZVJKTQIR-CEXWTWQISA-N 2 0 364.578 3.013 20 0 FGADRP CC1CC[NH+]([C@@H](CNC(=O)N2CCC[C@H]([NH+](C)C)C2)c2ccccc2)CC1 ZINC000519179324 504158574 /nfs/dbraw/zinc/15/85/74/504158574.db2.gz HOCCEUCCOJTQMZ-SFTDATJTSA-N 2 0 372.557 3.195 20 0 FGADRP C[C@@H](CNC(=O)NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1)[NH+](C)C1CC1 ZINC000519204725 504165206 /nfs/dbraw/zinc/16/52/06/504165206.db2.gz AFLJWNWGADLKSO-MSOLQXFVSA-N 2 0 372.557 3.343 20 0 FGADRP C[NH+](C)[C@H](CNC(=O)NCC[N@H+](C)C1CCCC1)c1ccc(Cl)cc1 ZINC000531079387 504181377 /nfs/dbraw/zinc/18/13/77/504181377.db2.gz ZPSHHGZXPPTFNY-GOSISDBHSA-N 2 0 366.937 3.116 20 0 FGADRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N[C@H]2CC[NH+](C)[C@@H]2c2ccccc2)C1 ZINC000534611372 504190527 /nfs/dbraw/zinc/19/05/27/504190527.db2.gz OCXSSYBEFOTFTI-YZGWKJHDSA-N 2 0 372.557 3.242 20 0 FGADRP CC1CC[NH+](CCc2cccc(NC(=O)N(C)CCC[NH+](C)C)c2)CC1 ZINC000544609498 504191058 /nfs/dbraw/zinc/19/10/58/504191058.db2.gz BKYXPLFUEAGIMF-UHFFFAOYSA-N 2 0 360.546 3.376 20 0 FGADRP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000544623764 504195019 /nfs/dbraw/zinc/19/50/19/504195019.db2.gz DYPLJDDMTQAJQH-QGZVFWFLSA-N 2 0 352.567 3.013 20 0 FGADRP C[NH+](C)[C@@H](CNC(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1)c1ccc(Cl)cc1 ZINC000531156654 504208598 /nfs/dbraw/zinc/20/85/98/504208598.db2.gz CSVRBYXLZIIXBB-KSZLIROESA-N 2 0 366.937 3.115 20 0 FGADRP CC(C)[N@@H+]1CC[C@H](CNC(=O)N[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000531191186 504221773 /nfs/dbraw/zinc/22/17/73/504221773.db2.gz DGXZTBQTHSRZQY-CEWLAPEOSA-N 2 0 372.557 3.069 20 0 FGADRP C[C@H]([NH2+][C@@H]1CCCC[C@@H]1N1CCOCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000547827578 504239142 /nfs/dbraw/zinc/23/91/42/504239142.db2.gz OTVSKPOCKSSOJG-IZBOUPIGSA-N 2 0 371.569 3.130 20 0 FGADRP CC(C)c1ncc(C[NH+]2CCC(C)(C[NH+]3CCN(C)CC3)CC2)s1 ZINC000541759761 504245385 /nfs/dbraw/zinc/24/53/85/504245385.db2.gz YCLKAGNQRZBWRC-UHFFFAOYSA-N 2 0 350.576 3.116 20 0 FGADRP CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)N(C)CCC[NH+]1CCCC1 ZINC000541769737 504248451 /nfs/dbraw/zinc/24/84/51/504248451.db2.gz MUENPRMLPHNDFB-OAQYLSRUSA-N 2 0 374.573 3.270 20 0 FGADRP C[C@@H]1C[C@H](N(C)C(=O)NC[C@H](c2ccc(Cl)cc2)[NH+](C)C)CC[N@@H+]1C ZINC000531318516 504264689 /nfs/dbraw/zinc/26/46/89/504264689.db2.gz TZBKLOUWIAXIIW-ZTFGCOKTSA-N 2 0 366.937 3.067 20 0 FGADRP CN1CC[NH+](CC2(C)CC[NH+](CCc3ccc(F)cc3Cl)CC2)CC1 ZINC000519614468 504274431 /nfs/dbraw/zinc/27/44/31/504274431.db2.gz PGYSGXLNWBVVNV-UHFFFAOYSA-N 2 0 367.940 3.371 20 0 FGADRP C(C[NH+]1CCC[C@H]1C1CCOCC1)C[N@@H+]1CCC[C@H]1C1CCOCC1 ZINC000538629050 504310083 /nfs/dbraw/zinc/31/00/83/504310083.db2.gz WYJBWCFJODTWJP-SFTDATJTSA-N 2 0 350.547 3.159 20 0 FGADRP OC[C@]1([NH2+]Cc2cccc(C[NH+]3CCCCC3)c2)COc2ccccc2C1 ZINC000528646171 504311682 /nfs/dbraw/zinc/31/16/82/504311682.db2.gz QDYVNTGMTPMANM-QHCPKHFHSA-N 2 0 366.505 3.128 20 0 FGADRP C[NH+](C)[C@@H](CNC(=O)C[N@H+](C)[C@@H]1CCCc2ccccc21)c1ccccc1 ZINC000548113651 504335770 /nfs/dbraw/zinc/33/57/70/504335770.db2.gz GVSAVYFFLKOGCO-YADHBBJMSA-N 2 0 365.521 3.415 20 0 FGADRP CC[NH+](CC)CC1CCN(C(=O)c2cccc(C[NH+]3CCCC3)c2)CC1 ZINC000519900953 504379438 /nfs/dbraw/zinc/37/94/38/504379438.db2.gz TWIRTRUTDIQRTG-UHFFFAOYSA-N 2 0 357.542 3.476 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1CCNCc1c(Cl)cccc1N1CC[NH+](C)CC1 ZINC000538850189 504392309 /nfs/dbraw/zinc/39/23/09/504392309.db2.gz RJGCQLRDMDLWSM-QGZVFWFLSA-N 2 0 364.965 3.056 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCOc2ccc(F)cc2F)[C@@H](C)C1 ZINC000531738241 504408398 /nfs/dbraw/zinc/40/83/98/504408398.db2.gz BJHLGTQCLLMNSI-YJBOKZPZSA-N 2 0 356.457 3.070 20 0 FGADRP C[C@H](CC[NH+](C)C)NC(=O)NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000520114203 504414857 /nfs/dbraw/zinc/41/48/57/504414857.db2.gz VAEDPXMFIMSOFK-MSOLQXFVSA-N 2 0 360.546 3.200 20 0 FGADRP C[C@@H](CCN1C(=O)c2ccccc2C1=O)[NH2+]CCC[N@H+](C)C1CCCCC1 ZINC000545247225 504414875 /nfs/dbraw/zinc/41/48/75/504414875.db2.gz YPGZWWFULAQDTI-KRWDZBQOSA-N 2 0 371.525 3.305 20 0 FGADRP Cc1cccc(C(=O)NCC[NH2+][C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000548482833 504461627 /nfs/dbraw/zinc/46/16/27/504461627.db2.gz GSTJVHNZHAEWDF-SIKLNZKXSA-N 2 0 365.521 3.225 20 0 FGADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC[C@@H]2CCCC[NH+]2CC)C1 ZINC000520379709 504483637 /nfs/dbraw/zinc/48/36/37/504483637.db2.gz LJODTQOCJVYMDW-MSOLQXFVSA-N 2 0 352.567 3.061 20 0 FGADRP OC1(C(F)(F)F)CCC([NH2+]C[C@@H]2CC[N@H+](CCc3ccccc3)C2)CC1 ZINC000531960796 504487652 /nfs/dbraw/zinc/48/76/52/504487652.db2.gz RPUHYCBBPPYAPJ-VIQWUECVSA-N 2 0 370.459 3.377 20 0 FGADRP CC[C@@H](O)C[N@H+](Cc1cn(-c2cc[nH+]cc2)nc1C)Cc1ccccc1 ZINC000542466466 504501755 /nfs/dbraw/zinc/50/17/55/504501755.db2.gz GWOMADAUNQSESE-OAQYLSRUSA-N 2 0 350.466 3.349 20 0 FGADRP C[C@@H]1C[NH+](CCOc2ccc(CC[NH2+]Cc3ccn(C)c3)cc2)C[C@H]1C ZINC000539223219 504501824 /nfs/dbraw/zinc/50/18/24/504501824.db2.gz BDVJQSINVGODIN-RTBURBONSA-N 2 0 355.526 3.324 20 0 FGADRP C[C@H]1C[N@H+](CCOc2ccc(CC[NH2+]Cc3ccn(C)c3)cc2)C[C@H]1C ZINC000539223212 504501925 /nfs/dbraw/zinc/50/19/25/504501925.db2.gz BDVJQSINVGODIN-KDURUIRLSA-N 2 0 355.526 3.324 20 0 FGADRP NC(=O)[C@@H](c1ccccc1)[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000535673552 504503628 /nfs/dbraw/zinc/50/36/28/504503628.db2.gz AMVOGJKBAZGKQH-OAQYLSRUSA-N 2 0 363.505 3.201 20 0 FGADRP O=C1CC[C@@H]([NH2+]Cc2ccc(CN3CCOCC3)cc2)c2ccccc2N1 ZINC000542478122 504506736 /nfs/dbraw/zinc/50/67/36/504506736.db2.gz MWXQVFIKPVACRC-HXUWFJFHSA-N 2 0 365.477 3.082 20 0 FGADRP C[C@@H](CCC(F)(F)F)[NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000542485953 504510542 /nfs/dbraw/zinc/51/05/42/504510542.db2.gz VLSRNJGGAUZYHK-HNNXBMFYSA-N 2 0 371.447 3.333 20 0 FGADRP Cc1c([C@H](C)[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)nnn1-c1ccc(Cl)cc1 ZINC000520565559 504528778 /nfs/dbraw/zinc/52/87/78/504528778.db2.gz ICQVSFXRVCTMGE-UYHISHBKSA-N 2 0 359.905 3.268 20 0 FGADRP C[C@@H]1CCC[C@H](C)[NH+]1CCNC(=O)NCC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC000520756147 504575276 /nfs/dbraw/zinc/57/52/76/504575276.db2.gz FCUMQOPHXSNHJR-OKZBNKHCSA-N 2 0 352.567 3.059 20 0 FGADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)NCC[NH+]2[C@H](C)CCC[C@H]2C)C1 ZINC000520756750 504575359 /nfs/dbraw/zinc/57/53/59/504575359.db2.gz VZSHJEQIUHWRMN-XCJLJZCSSA-N 2 0 372.557 3.384 20 0 FGADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)N(CCCc1ccccc1)CC[NH+](C)C ZINC000520821783 504590547 /nfs/dbraw/zinc/59/05/47/504590547.db2.gz FJYLYUSBWLCOLT-FQEVSTJZSA-N 2 0 374.573 3.067 20 0 FGADRP CN(CCC(=O)N1CCC[N@H+](CC2CCCCC2)CC1)c1cc[nH+]cc1 ZINC000542787709 504610401 /nfs/dbraw/zinc/61/04/01/504610401.db2.gz MXNSLIWYOBUURD-UHFFFAOYSA-N 2 0 358.530 3.023 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)CCN(C)c1cc[nH+]cc1 ZINC000542786190 504610632 /nfs/dbraw/zinc/61/06/32/504610632.db2.gz IAJALVCHLTZWCU-RBUKOAKNSA-N 2 0 366.509 3.029 20 0 FGADRP Cc1ccc(-n2cc(C[NH2+]CC3(O)CC[NH+](C)CC3)c(C(C)(C)C)n2)cc1 ZINC000532346329 504618490 /nfs/dbraw/zinc/61/84/90/504618490.db2.gz JACWXMZESGMYAO-UHFFFAOYSA-N 2 0 370.541 3.025 20 0 FGADRP COc1ccc(C[NH2+]CC2(O)CC[NH+](C(C)C)CC2)cc1OCC(C)C ZINC000532374252 504626597 /nfs/dbraw/zinc/62/65/97/504626597.db2.gz WKIQZZPAOCRIIH-UHFFFAOYSA-N 2 0 364.530 3.055 20 0 FGADRP CC[NH+](CC)[C@H](C(=O)N[C@H](C)CCC[NH3+])c1cccc(C(F)(F)F)c1 ZINC000521042893 504636343 /nfs/dbraw/zinc/63/63/43/504636343.db2.gz XEJIWCXVFYCPRA-CJNGLKHVSA-N 2 0 359.436 3.332 20 0 FGADRP CSc1ccc([C@H](C)[NH2+][C@@H](CC(C)C)C(=O)NCC[NH+](C)C)cc1F ZINC000539645377 504637672 /nfs/dbraw/zinc/63/76/72/504637672.db2.gz LANRGMBKDQLZED-YOEHRIQHSA-N 2 0 369.550 3.291 20 0 FGADRP Cc1cc([C@@H](C)[NH2+][C@@H](Cc2ccccc2)C(=O)NCC[NH+](C)C)c(C)s1 ZINC000539688617 504653537 /nfs/dbraw/zinc/65/35/37/504653537.db2.gz IKTKXDPHAZLJKN-UZLBHIALSA-N 2 0 373.566 3.305 20 0 FGADRP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(OC)c3oc(C(=O)OC)cc32)[C@@H](C)C1 ZINC000539819344 504700166 /nfs/dbraw/zinc/70/01/66/504700166.db2.gz ZPURMEYUPNAQLA-WMLDXEAASA-N 2 0 374.481 3.390 20 0 FGADRP CC(C)[NH+]1CCN([C@H]2CC[N@H+](Cc3ccc4c(c3)CC(C)(C)O4)C2)CC1 ZINC000539824452 504703729 /nfs/dbraw/zinc/70/37/29/504703729.db2.gz FMKBRLRLLYZJJS-FQEVSTJZSA-N 2 0 357.542 3.000 20 0 FGADRP Cn1ccnc1[C@H]1CCN(Cc2ncc(Cl)cc2Br)C1 ZINC000529566674 504730870 /nfs/dbraw/zinc/73/08/70/504730870.db2.gz FQFCJEKOEUFFOM-JTQLQIEISA-N 2 0 355.667 3.221 20 0 FGADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]C[C@H]2CCC3(CCOCC3)[C@@H]2O)CC1 ZINC000549235178 504733815 /nfs/dbraw/zinc/73/38/15/504733815.db2.gz IFMWJOLBWIYELF-RMVXJAJNSA-N 2 0 364.574 3.187 20 0 FGADRP C[C@H](c1ccc(F)cc1)N1CC[C@@H]([NH+]2CCC(C[NH+]3CCCC3)CC2)C1=O ZINC000521469127 504743267 /nfs/dbraw/zinc/74/32/67/504743267.db2.gz XYNIQOYRLFPOKD-DYESRHJHSA-N 2 0 373.516 3.295 20 0 FGADRP CC[N@H+](CCC1CCN(C(=O)N[C@@H]2CC[NH+](C)[C@@H](C)C2)CC1)CC1CC1 ZINC000536584624 504765986 /nfs/dbraw/zinc/76/59/86/504765986.db2.gz VYZVCDWBWIYLKT-FXAWDEMLSA-N 2 0 364.578 3.013 20 0 FGADRP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1ccc(F)c2ccccc21 ZINC000556076800 504791113 /nfs/dbraw/zinc/79/11/13/504791113.db2.gz RKVKDQYKUCENBD-HZPDHXFCSA-N 2 0 357.473 3.217 20 0 FGADRP c1ccc(C[NH2+][C@@H]2CCO[C@H]2C2CC2)c(C[NH2+][C@@H]2CCO[C@@H]2C2CC2)c1 ZINC000562361192 504795041 /nfs/dbraw/zinc/79/50/41/504795041.db2.gz AEUHSEMAWQSJBM-YSFYHYPLSA-N 2 0 356.510 3.001 20 0 FGADRP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C[C@H](c1ncc[nH]1)c1ccccc1 ZINC000553042354 504812127 /nfs/dbraw/zinc/81/21/27/504812127.db2.gz ZLVGOESKSAQTFV-LMMKCTJWSA-N 2 0 354.498 3.168 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1CCC(=O)N1CC[C@@H](C)[NH+](Cc2ccccc2)CC1 ZINC000559276616 504817638 /nfs/dbraw/zinc/81/76/38/504817638.db2.gz SZQPUWDABLUTJL-WOJBJXKFSA-N 2 0 357.542 3.374 20 0 FGADRP CCc1nc2cc(CNC(=O)[C@@H]3CCCC[N@H+]3CC)ccc2n1C1CC1 ZINC000549534321 504843472 /nfs/dbraw/zinc/84/34/72/504843472.db2.gz IDCZLZRVXVKJGB-IBGZPJMESA-N 2 0 354.498 3.424 20 0 FGADRP O=C(NC1CCCCC1)N1CCC([NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)CC1 ZINC000565298633 504847652 /nfs/dbraw/zinc/84/76/52/504847652.db2.gz MREOQWXNLYYVJQ-HSALFYBXSA-N 2 0 362.562 3.003 20 0 FGADRP COc1cccc(NC(=O)[C@@H](c2ccccc2)[N@@H+]2CCC[C@H](CC[NH3+])C2)c1 ZINC000565303534 504849052 /nfs/dbraw/zinc/84/90/52/504849052.db2.gz RSYUFBZORHCIGN-DYESRHJHSA-N 2 0 367.493 3.436 20 0 FGADRP COc1cccc(C[NH+]2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)c1OC(F)F ZINC000565645535 504947081 /nfs/dbraw/zinc/94/70/81/504947081.db2.gz ZQKRTTIYKCAZMK-NVXWUHKLSA-N 2 0 370.440 3.015 20 0 FGADRP C[C@@H](C(=O)Nc1ccc(OC(F)F)cc1)[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000562838423 504961003 /nfs/dbraw/zinc/96/10/03/504961003.db2.gz XULRXHJNRCBXOI-SUMWQHHRSA-N 2 0 367.440 3.079 20 0 FGADRP C[NH+](C)Cc1ccc(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)cn1 ZINC000550127090 504972743 /nfs/dbraw/zinc/97/27/43/504972743.db2.gz WQFXRCXJGYJMTA-UHFFFAOYSA-N 2 0 366.509 3.059 20 0 FGADRP C[C@H](NC(=O)NCCC[N@@H+]1CCCC[C@@H]1C)[C@@H](c1ccccc1)[NH+](C)C ZINC000562878773 504974027 /nfs/dbraw/zinc/97/40/27/504974027.db2.gz ZZUBUVQAHTUPPP-BJLQDIEVSA-N 2 0 360.546 3.242 20 0 FGADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000557032631 505048275 /nfs/dbraw/zinc/04/82/75/505048275.db2.gz SIBQJRVMJWWKRO-HKUYNNGSSA-N 2 0 358.530 3.354 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+]C[C@@H](O)COc2cccc3[nH]ccc32)C1 ZINC000566106079 505082113 /nfs/dbraw/zinc/08/21/13/505082113.db2.gz GJGHLHQEYSSQGE-CEXWTWQISA-N 2 0 373.541 3.255 20 0 FGADRP CC(C)[NH2+]CCCNC(=O)N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000557214077 505093939 /nfs/dbraw/zinc/09/39/39/505093939.db2.gz SFWHIIQZJTUHSN-GOSISDBHSA-N 2 0 352.567 3.061 20 0 FGADRP COc1ccc(Cl)cc1N1CC[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)C1 ZINC000560525934 505114272 /nfs/dbraw/zinc/11/42/72/505114272.db2.gz BGNXSYNLMYNZNP-BSDSXHPESA-N 2 0 363.933 3.390 20 0 FGADRP CCCN(CC[NH+]1CCCC1)C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000554206002 505115133 /nfs/dbraw/zinc/11/51/33/505115133.db2.gz FNKFWZIMJHKBRO-NRFANRHFSA-N 2 0 372.557 3.341 20 0 FGADRP Cc1nn(-c2ccc(Br)cc2)cc1CN1CC[C@@H]([NH3+])C[C@@H]1C ZINC000563350795 505117423 /nfs/dbraw/zinc/11/74/23/505117423.db2.gz ROUIMHZNEHTAGT-BLLLJJGKSA-N 2 0 363.303 3.255 20 0 FGADRP CC[NH+](CC)CCC[C@@H](C)NC(=O)[C@@H]1C[NH2+]C[C@H]1c1ccc(Cl)cc1 ZINC000563348581 505117489 /nfs/dbraw/zinc/11/74/89/505117489.db2.gz CJNVYNKSRQYVRJ-AYOQOUSVSA-N 2 0 365.949 3.270 20 0 FGADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H](C)Cn1cc(Br)ccc1=O ZINC000550886154 505119370 /nfs/dbraw/zinc/11/93/70/505119370.db2.gz DJRKYTHXANQSPA-LSDHHAIUSA-N 2 0 372.351 3.099 20 0 FGADRP C[C@H]([NH2+]CCCC[NH+]1CCN(Cc2ccccc2)CC1)[C@]1(C)CCCO1 ZINC000550886272 505119447 /nfs/dbraw/zinc/11/94/47/505119447.db2.gz GOXICPJAUZGACQ-UNMCSNQZSA-N 2 0 359.558 3.132 20 0 FGADRP O=C(CC[C@H]1CC[NH2+]C1)N(CC[NH+]1CCCC1)Cc1ccc(Cl)cc1 ZINC000566250020 505123704 /nfs/dbraw/zinc/12/37/04/505123704.db2.gz AKOMXTRDGICXLP-KRWDZBQOSA-N 2 0 363.933 3.154 20 0 FGADRP C[C@@H]([NH2+]Cc1ccc(C[S@@](C)=O)cc1)c1cccc(OCC[NH+](C)C)c1 ZINC000560556404 505125358 /nfs/dbraw/zinc/12/53/58/505125358.db2.gz BNBFIIOKPCBXMM-WGDIFIGCSA-N 2 0 374.550 3.356 20 0 FGADRP Cc1nn(-c2ccccc2)c(C)c1C[NH+]1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000563460788 505146937 /nfs/dbraw/zinc/14/69/37/505146937.db2.gz RKTAZOXLJXAXNC-YADHBBJMSA-N 2 0 368.525 3.207 20 0 FGADRP C[NH+]1CCC(O)(C[NH2+]Cc2cnc(-c3ccc(Cl)cc3)s2)CC1 ZINC000551185269 505173884 /nfs/dbraw/zinc/17/38/84/505173884.db2.gz PXAHIMVRZNOUEF-UHFFFAOYSA-N 2 0 351.903 3.010 20 0 FGADRP Cc1ccc(CNC(=O)c2cccc(C[NH2+][C@H]3CCC[C@@H]([NH3+])C3)c2)cc1 ZINC000566482272 505187005 /nfs/dbraw/zinc/18/70/05/505187005.db2.gz MAMAZYPHVFTJPE-RTWAWAEBSA-N 2 0 351.494 3.285 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCN[C@@H](c2cn[nH]n2)c2ccc(F)cc2)C1 ZINC000551265251 505188251 /nfs/dbraw/zinc/18/82/51/505188251.db2.gz JYAVHJGYBPKVBG-GQIGUUNPSA-N 2 0 359.493 3.381 20 0 FGADRP C[NH+](C)CCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)C[C@H]1CCC[NH2+]1 ZINC000563709518 505217431 /nfs/dbraw/zinc/21/74/31/505217431.db2.gz VXLGMEZDJIVUJE-OAHLLOKOSA-N 2 0 372.340 3.416 20 0 FGADRP C[C@H]1C[C@H]([NH2+]CCCC[NH+]2CCN(c3ncccn3)CC2)c2ccccc21 ZINC000563747901 505227181 /nfs/dbraw/zinc/22/71/81/505227181.db2.gz OAMIUPWYVXJWHV-RXVVDRJESA-N 2 0 365.525 3.217 20 0 FGADRP CC[NH+](CC)Cc1ccc(CNC(=O)NCC2CC[NH+](CC)CC2)cc1 ZINC000566632648 505227343 /nfs/dbraw/zinc/22/73/43/505227343.db2.gz ONCIRRUOFFAVFI-UHFFFAOYSA-N 2 0 360.546 3.060 20 0 FGADRP Cc1cc2ncn(C[C@@H](O)C[NH2+]Cc3ccc4ccccc4n3)c2cc1C ZINC000557799610 505233262 /nfs/dbraw/zinc/23/32/62/505233262.db2.gz DFGVZESEHTXXFD-IBGZPJMESA-N 2 0 360.461 3.352 20 0 FGADRP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)C[NH2+]C2CCN(c3nccs3)CC2)C1 ZINC000557886485 505255555 /nfs/dbraw/zinc/25/55/55/505255555.db2.gz FPNNDOMIYRESTB-HZPDHXFCSA-N 2 0 350.576 3.458 20 0 FGADRP Cc1ccccc1[C@H]([NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1)C(C)(C)C ZINC000561160470 505267872 /nfs/dbraw/zinc/26/78/72/505267872.db2.gz GOVLGEUGDKXNEE-NRFANRHFSA-N 2 0 357.542 3.415 20 0 FGADRP [NH3+][C@@H]1CCO[C@H](C2CC[NH+](Cc3coc(-c4ccc(F)cc4)n3)CC2)C1 ZINC000561283533 505304598 /nfs/dbraw/zinc/30/45/98/505304598.db2.gz HTLGJPQPYKVVOK-MJGOQNOKSA-N 2 0 359.445 3.199 20 0 FGADRP C[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](Cc3ccccc3)C2)[C@H]1c1ccccc1 ZINC000561309543 505311310 /nfs/dbraw/zinc/31/13/10/505311310.db2.gz NOEQJZYPYRCIIV-FDFHNCONSA-N 2 0 363.505 3.070 20 0 FGADRP CO[C@H](C[NH+]1CCN(CC[N@H+](C)Cc2ccccc2)CC1)c1ccccc1 ZINC000555015013 505328888 /nfs/dbraw/zinc/32/88/88/505328888.db2.gz CJJSFPNUVZERLM-HSZRJFAPSA-N 2 0 367.537 3.124 20 0 FGADRP Cc1ccccc1[C@H]([NH3+])C(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000567046556 505348585 /nfs/dbraw/zinc/34/85/85/505348585.db2.gz GUPNELKWDTWWSJ-SNRMKQJTSA-N 2 0 357.523 3.256 20 0 FGADRP CC[C@H](C)[NH2+][C@H](CNC(=O)NC[C@H](c1ccccc1)[NH+](C)C)c1ccco1 ZINC000558345375 505364661 /nfs/dbraw/zinc/36/46/61/505364661.db2.gz OANUCKJSDZQMJB-QXAKKESOSA-N 2 0 372.513 3.311 20 0 FGADRP C[C@H](C(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C)[C@H]([NH3+])c1ccccc1 ZINC000567107793 505364701 /nfs/dbraw/zinc/36/47/01/505364701.db2.gz RPBNWZPVQFWLRM-JVPBZIDWSA-N 2 0 359.901 3.395 20 0 FGADRP CCN(CC[NH+]1CCCCCC1)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000558364017 505368710 /nfs/dbraw/zinc/36/87/10/505368710.db2.gz KREFYXGMUDJCRX-NRFANRHFSA-N 2 0 372.557 3.168 20 0 FGADRP CCCN(CC[NH+]1CCCC1)C(=O)N[C@@H](c1nccn1C)c1ccccc1 ZINC000558388646 505373217 /nfs/dbraw/zinc/37/32/17/505373217.db2.gz BSPQAXCSDWASQJ-LJQANCHMSA-N 2 0 369.513 3.027 20 0 FGADRP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCN(c3ccccc3OC(F)F)C2)[C@H]2CCC[C@H]21 ZINC000552044161 505380467 /nfs/dbraw/zinc/38/04/67/505380467.db2.gz SLDLZTPXPDEWTB-WCXIOVBPSA-N 2 0 365.468 3.329 20 0 FGADRP CCc1cc(OC)ccc1C[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000564320981 505382709 /nfs/dbraw/zinc/38/27/09/505382709.db2.gz PXVPYDKXKIIQEV-WCRBZPEASA-N 2 0 357.542 3.000 20 0 FGADRP C[N@@H+](CCCc1c(Cl)cccc1Cl)CCCN1CC[NH+](C)CC1 ZINC000558422070 505384405 /nfs/dbraw/zinc/38/44/05/505384405.db2.gz IQQBPZDWBSVUMN-UHFFFAOYSA-N 2 0 358.357 3.495 20 0 FGADRP C[NH+](C)Cc1ccc(C(=O)N[C@@H](C[NH+](C)C)c2ccc(Cl)cc2)cc1 ZINC000555232231 505386107 /nfs/dbraw/zinc/38/61/07/505386107.db2.gz YAVOEAUWKMMJBS-IBGZPJMESA-N 2 0 359.901 3.434 20 0 FGADRP CSc1ccc2ncnc(N(CCC[NH+](C)C)CCC[NH+](C)C)c2c1 ZINC000561682833 505408803 /nfs/dbraw/zinc/40/88/03/505408803.db2.gz QBMHPVMOIXEZIK-UHFFFAOYSA-N 2 0 361.559 3.062 20 0 FGADRP C[C@@H]1C[N@@H+](CC2CC[NH+](CCOc3ccccc3F)CC2)C[C@H](C)O1 ZINC000555335653 505410869 /nfs/dbraw/zinc/41/08/69/505410869.db2.gz SYELAQMPAZHQES-CALCHBBNSA-N 2 0 350.478 3.026 20 0 FGADRP COc1cccc(OC)c1OCCCC[NH+]1CCC(C[NH+](C)C)CC1 ZINC000567273674 505415701 /nfs/dbraw/zinc/41/57/01/505415701.db2.gz VJIKWHRRTKBPDU-UHFFFAOYSA-N 2 0 350.503 3.136 20 0 FGADRP [NH3+]CC[C@@H]1CCCN(C(=O)NC[C@H]2CCCC[N@H+](Cc3ccccc3)C2)C1 ZINC000567337012 505434458 /nfs/dbraw/zinc/43/44/58/505434458.db2.gz LCENKUJTIZSSJO-LEWJYISDSA-N 2 0 372.557 3.059 20 0 FGADRP COc1nc(C)cc(C)c1C[NH+]1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000561839707 505447086 /nfs/dbraw/zinc/44/70/86/505447086.db2.gz FARAAGDDNKOPFN-ROUUACIJSA-N 2 0 361.530 3.028 20 0 FGADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]Cc1ccc(-c2ccc3c(c2)CCO3)cc1 ZINC000564560215 505453679 /nfs/dbraw/zinc/45/36/79/505453679.db2.gz USZUDVIAKPMCMY-JHVJFLLYSA-N 2 0 352.478 3.130 20 0 FGADRP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]C[C@H](CO)Cc2ccco2)CC1 ZINC000567453380 505467985 /nfs/dbraw/zinc/46/79/85/505467985.db2.gz TYTDBGIYZJCCCM-UYAOXDASSA-N 2 0 356.510 3.116 20 0 FGADRP CC(C)[N@H+](C)CC1CC[NH+](CCC(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000564624307 505472769 /nfs/dbraw/zinc/47/27/69/505472769.db2.gz DJUDKAYXYUQMEH-UHFFFAOYSA-N 2 0 360.498 3.083 20 0 FGADRP O[C@@H](C[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)Cc1ccccc1 ZINC000562065453 505508268 /nfs/dbraw/zinc/50/82/68/505508268.db2.gz RUOQMTKDVMHWNU-OLKYXYMISA-N 2 0 364.533 3.480 20 0 FGADRP NC1(C[NH2+][C@@H]2CCC[C@@H]([C@@H]3CCOC3)C2)CC[NH+](Cc2ccccc2)CC1 ZINC000567652927 505525492 /nfs/dbraw/zinc/52/54/92/505525492.db2.gz SZEWZTWMOKAMCL-YPAWHYETSA-N 2 0 371.569 3.165 20 0 FGADRP COc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]CC1(SC)CC[NH+](C)CC1)CC3 ZINC000567653886 505526021 /nfs/dbraw/zinc/52/60/21/505526021.db2.gz KVWIAZLSSDFUJV-HNNXBMFYSA-N 2 0 373.566 3.451 20 0 FGADRP Cc1cc(C(C)(C)C)ccc1OC[C@H](O)C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000564844348 505536139 /nfs/dbraw/zinc/53/61/39/505536139.db2.gz HTYARZQINSASPI-OAQYLSRUSA-N 2 0 374.569 3.496 20 0 FGADRP CCN1CC[C@H]([NH2+]Cc2cnc(C)n2C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000567753951 505557164 /nfs/dbraw/zinc/55/71/64/505557164.db2.gz MJEFRDTWSMACHZ-ZWKOTPCHSA-N 2 0 350.869 3.446 20 0 FGADRP CC[C@H]1[NH2+]CC[C@@H]1C(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000564922091 505558763 /nfs/dbraw/zinc/55/87/63/505558763.db2.gz HVLHZWKXYCUSHJ-PKOBYXMFSA-N 2 0 363.933 3.056 20 0 FGADRP C[NH+](C)CCc1ccc(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)cc1 ZINC000552829543 505561190 /nfs/dbraw/zinc/56/11/90/505561190.db2.gz NOHCWZVKNXFMIS-FQEVSTJZSA-N 2 0 369.509 3.341 20 0 FGADRP Cc1cc(NC(=O)[C@H](C(C)C)[C@H](C)[NH3+])cc(N2CC[NH+](C(C)C)CC2)c1 ZINC000564940193 505561965 /nfs/dbraw/zinc/56/19/65/505561965.db2.gz LNMCCYOWVSEZOV-FXAWDEMLSA-N 2 0 360.546 3.083 20 0 FGADRP C[C@H](NC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1)c1cccc2ccccc21 ZINC000564987707 505565777 /nfs/dbraw/zinc/56/57/77/505565777.db2.gz GJQTZXXEFFQYFV-XTMYYITASA-N 2 0 365.521 3.465 20 0 FGADRP C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)NCC(C)(C)[NH+]2CCCCC2)C1 ZINC000608618411 506634064 /nfs/dbraw/zinc/63/40/64/506634064.db2.gz YKIJSDKCIJOKRW-HXUWFJFHSA-N 2 0 372.557 3.167 20 0 FGADRP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)N1CC[C@H]([NH+](C)Cc2ccccc2)C1 ZINC000608674015 506659550 /nfs/dbraw/zinc/65/95/50/506659550.db2.gz NEMVRGDDQZGNER-ZVDOUQERSA-N 2 0 372.557 3.165 20 0 FGADRP C[C@H](C(=O)NCCC[NH+]1CCCCC1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000599966984 506729968 /nfs/dbraw/zinc/72/99/68/506729968.db2.gz AXEWJNOCYDDLRY-HXUWFJFHSA-N 2 0 371.569 3.322 20 0 FGADRP C[NH+](C)CC1CC[NH+](C[C@H](O)Cn2c3ccccc3c3ccccc32)CC1 ZINC000590125972 506743495 /nfs/dbraw/zinc/74/34/95/506743495.db2.gz ZTZJMDURFNLBJQ-IBGZPJMESA-N 2 0 365.521 3.429 20 0 FGADRP CC[C@@H](C)[N@H+](C)CCNC(=O)N[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000604189276 506743942 /nfs/dbraw/zinc/74/39/42/506743942.db2.gz XNQVDVMIHDWUHH-QUCCMNQESA-N 2 0 360.546 3.243 20 0 FGADRP C[C@H](C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000600014389 506746569 /nfs/dbraw/zinc/74/65/69/506746569.db2.gz UDWAXSXZZMXSTE-QIJUGHKUSA-N 2 0 369.553 3.073 20 0 FGADRP c1coc(COCc2cccc(C[NH2+][C@@H]3CCOC[C@@H]3[C@@H]3CCC[NH2+]3)c2)c1 ZINC000583434798 506777719 /nfs/dbraw/zinc/77/77/19/506777719.db2.gz BCAYEWSBBSWMDF-BHIFYINESA-N 2 0 370.493 3.243 20 0 FGADRP CCOC(=O)c1cccc(C[NH2+]C2CCC([NH+]3CCC(C)CC3)CC2)n1 ZINC000600142793 506801940 /nfs/dbraw/zinc/80/19/40/506801940.db2.gz PIBZDVRMEHRPES-UHFFFAOYSA-N 2 0 359.514 3.391 20 0 FGADRP CC[NH+](CC)CCCNC(=O)C1CC[NH+](C[C@H]2CCCC[C@H]2C)CC1 ZINC000583661294 506899256 /nfs/dbraw/zinc/89/92/56/506899256.db2.gz JDRYCBCFLBYOPS-UYAOXDASSA-N 2 0 351.579 3.373 20 0 FGADRP Fc1ccc(-n2nc(CN3CC[C@]4(C3)CCC[NH2+]C4)c3c2CCC3)cc1 ZINC000583693905 506920128 /nfs/dbraw/zinc/92/01/28/506920128.db2.gz OZFHKOJAXVJCQE-OAQYLSRUSA-N 2 0 354.473 3.076 20 0 FGADRP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000604815945 506954186 /nfs/dbraw/zinc/95/41/86/506954186.db2.gz BOACZZVPXSMVRJ-XWTMOSNGSA-N 2 0 354.583 3.018 20 0 FGADRP CC(C)[N@H+](C)CC1CC[NH+](C[C@H](O)COc2ccccc2Cl)CC1 ZINC000590819017 506979483 /nfs/dbraw/zinc/97/94/83/506979483.db2.gz SZUXXUXUCXVLDM-KRWDZBQOSA-N 2 0 354.922 3.132 20 0 FGADRP CC1=C[C@H](C)C[C@@H](C[NH+]2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)C1 ZINC000583864289 507018167 /nfs/dbraw/zinc/01/81/67/507018167.db2.gz COUYQSVPTMOJNO-AZUAARDMSA-N 2 0 361.574 3.293 20 0 FGADRP Cc1cccc(OC[C@@H](O)C[NH2+]Cc2ccccc2C[NH+]2CCCC2)c1 ZINC000583866801 507020017 /nfs/dbraw/zinc/02/00/17/507020017.db2.gz HWFNWDFIFYNFDY-NRFANRHFSA-N 2 0 354.494 3.120 20 0 FGADRP CC(C)[N@H+](C)CC1CCN(C(=O)NCC[NH+]2[C@H](C)CCC[C@H]2C)CC1 ZINC000594316883 507077268 /nfs/dbraw/zinc/07/72/68/507077268.db2.gz GQGXUEPWXTWJPE-QZTJIDSGSA-N 2 0 352.567 3.011 20 0 FGADRP C[C@H](CC[NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1)c1ccccc1 ZINC000583974510 507078236 /nfs/dbraw/zinc/07/82/36/507078236.db2.gz SXAOAXKUVBEZCR-HXUWFJFHSA-N 2 0 367.541 3.162 20 0 FGADRP CC(C)[C@H](C(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)[NH+]1CCCCC1 ZINC000591203107 507151567 /nfs/dbraw/zinc/15/15/67/507151567.db2.gz DKIFOOOIYJJRBI-FCHUYYIVSA-N 2 0 371.569 3.178 20 0 FGADRP CC(C)CN(CC[NH+](C)C)C(=O)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000591283872 507186117 /nfs/dbraw/zinc/18/61/17/507186117.db2.gz JLKXZMWRIHAPLB-IBGZPJMESA-N 2 0 363.521 3.084 20 0 FGADRP CC(C)[NH+]1CCN([C@H]2CCN(Cc3ccc(C(F)(F)F)s3)C2)CC1 ZINC000584209668 507213229 /nfs/dbraw/zinc/21/32/29/507213229.db2.gz SPBVPFKBUMCWLX-AWEZNQCLSA-N 2 0 361.477 3.367 20 0 FGADRP O=C(CC[N@@H+]1CC[C@@H](Oc2ccncc2)C1)N[C@H]1CCCc2ccccc21 ZINC000584218274 507219967 /nfs/dbraw/zinc/21/99/67/507219967.db2.gz LGITWUIZQKVNKI-CTNGQTDRSA-N 2 0 365.477 3.119 20 0 FGADRP CC(C)[C@H](CNC(=O)Nc1cccc2c1CC[NH2+]C2)[NH+]1CCC(C)CC1 ZINC000584399071 507323941 /nfs/dbraw/zinc/32/39/41/507323941.db2.gz OIWUDVBFICBZLR-FQEVSTJZSA-N 2 0 358.530 3.210 20 0 FGADRP Cc1ccc([C@H](CNC(=O)N2CCC[C@H]([NH2+]C(C)C)C2)[NH+]2CCCC2)cc1 ZINC000601290610 507324605 /nfs/dbraw/zinc/32/46/05/507324605.db2.gz UESRKGUQGQTJBV-SFTDATJTSA-N 2 0 372.557 3.304 20 0 FGADRP CCSC1(C[NH2+]Cc2c(Cl)cccc2N2CC[NH+](C)CC2)CC1 ZINC000594986574 507343299 /nfs/dbraw/zinc/34/32/99/507343299.db2.gz HBMLBPHKCRKJQG-UHFFFAOYSA-N 2 0 353.963 3.467 20 0 FGADRP Ic1ccc(CC[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000594993441 507344876 /nfs/dbraw/zinc/34/48/76/507344876.db2.gz GJYIBLVTSSZGTK-JKSUJKDBSA-N 2 0 370.278 3.050 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)Nc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000584458140 507356415 /nfs/dbraw/zinc/35/64/15/507356415.db2.gz QTRLRPCETHHXBW-IYBDPMFKSA-N 2 0 358.530 3.210 20 0 FGADRP COc1cccc(C[NH2+]CC2(SC)CC[NH+](C)CC2)c1OC(C)C ZINC000584462411 507359665 /nfs/dbraw/zinc/35/96/65/507359665.db2.gz CFKSBIGQQPQEQI-UHFFFAOYSA-N 2 0 352.544 3.399 20 0 FGADRP CC(C)OCC[C@H](O)C[NH2+][C@H](CN1CCc2ccccc2C1)C(C)(C)C ZINC000584464585 507359879 /nfs/dbraw/zinc/35/98/79/507359879.db2.gz ANIHORVPFUBIIT-LEWJYISDSA-N 2 0 362.558 3.225 20 0 FGADRP C[NH+](C)[C@H](CNC(=O)N1CCC[N@@H+](C2CCCC2)CC1)c1ccsc1 ZINC000606638452 507461414 /nfs/dbraw/zinc/46/14/14/507461414.db2.gz JVCQADVAPZCVLT-GOSISDBHSA-N 2 0 364.559 3.011 20 0 FGADRP CC[NH+](CC)CCN(Cc1ccccc1)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000606703735 507489426 /nfs/dbraw/zinc/48/94/26/507489426.db2.gz BTJTVJLSJBIHGW-NRFANRHFSA-N 2 0 372.557 3.024 20 0 FGADRP C[C@H]1CC[N@H+](C)CCN1C(=O)N[C@H]1CC[NH+](Cc2ccccc2)CC1(C)C ZINC000584852407 507541907 /nfs/dbraw/zinc/54/19/07/507541907.db2.gz DGEJRZYRKRGMGD-ICSRJNTNSA-N 2 0 372.557 3.023 20 0 FGADRP CC(C)[C@@H](C(=O)NCc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1)[NH+](C)C ZINC000592450460 507660342 /nfs/dbraw/zinc/66/03/42/507660342.db2.gz BESQEIGCXPDRGI-UEXGIBASSA-N 2 0 359.558 3.367 20 0 FGADRP C[NH+](C)Cc1cccc(C(=O)NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000607384858 507716353 /nfs/dbraw/zinc/71/63/53/507716353.db2.gz GMOBBEMLDGGANL-NRFANRHFSA-N 2 0 365.521 3.390 20 0 FGADRP CCC1([NH+](C)C)CCN(C(=O)N[C@@H](C)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000637137963 568439420 /nfs/dbraw/zinc/43/94/20/568439420.db2.gz WALYTUBBZJAJIB-HKUYNNGSSA-N 2 0 360.546 3.194 20 0 FGADRP c1sc(C[NH2+]Cc2ccccc2C[NH+]2CCCCC2)cc1-c1nn[nH]n1 ZINC000823779345 606209289 /nfs/dbraw/zinc/20/92/89/606209289.db2.gz ATIWHELUHFFUKX-UHFFFAOYSA-N 2 0 368.510 3.204 20 0 FGADRP C[C@@H](c1ccc(-c2nn[nH]n2)cc1)[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000824763020 608523206 /nfs/dbraw/zinc/52/32/06/608523206.db2.gz JMCVXEIVJNLKGA-HNNXBMFYSA-N 2 0 350.470 3.121 20 0 FGADRP c1cc(C[NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)cc(-c2nn[nH]n2)c1 ZINC000826516667 609354629 /nfs/dbraw/zinc/35/46/29/609354629.db2.gz VLKNOYHDJCXELL-UHFFFAOYSA-N 2 0 362.481 3.142 20 0 FGADRP C[C@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)c1ccc(Br)cc1 ZINC000021010998 695643110 /nfs/dbraw/zinc/64/31/10/695643110.db2.gz WQCGZJKFBXEDAK-AWEZNQCLSA-N 2 0 354.336 3.126 20 0 FGADRP C[C@@H]([NH2+]CCOc1ncc(C(F)(F)F)cc1Cl)C1CC[NH+](C)CC1 ZINC000090082478 700400395 /nfs/dbraw/zinc/40/03/95/700400395.db2.gz ZCLQGGQKCQKZDK-LLVKDONJSA-N 2 0 365.827 3.453 20 0 FGADRP C[C@H]([NH2+]C[C@H](c1ccc(Cl)cc1)N1CCOCC1)C1CC[NH+](C)CC1 ZINC000119820123 700639656 /nfs/dbraw/zinc/63/96/56/700639656.db2.gz ZRVPKUTZURVVNR-OXJNMPFZSA-N 2 0 365.949 3.033 20 0 FGADRP C[C@@H]([NH2+]Cc1ccc(CN2CC[NH+](C)CC2)cc1)c1ccnc(Cl)c1 ZINC000126711480 700751919 /nfs/dbraw/zinc/75/19/19/700751919.db2.gz ZMMFJFGZJOKVCV-MRXNPFEDSA-N 2 0 358.917 3.333 20 0 FGADRP C[N@@H+]1CCCN(CCC[NH2+][C@@H]2CCSc3c(Cl)cccc32)CC1 ZINC000128618786 700777634 /nfs/dbraw/zinc/77/76/34/700777634.db2.gz YXNCCCCKQSJUBK-QGZVFWFLSA-N 2 0 353.963 3.494 20 0 FGADRP C[C@H](C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)Oc1ccccc1Br ZINC000166777156 705345934 /nfs/dbraw/zinc/34/59/34/705345934.db2.gz QBVWMGJPTLMJCL-QLFBSQMISA-N 2 0 353.304 3.433 20 0 FGADRP C[C@@H]1CCCN(C(C)(C)C[NH2+]C2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000177243695 705614333 /nfs/dbraw/zinc/61/43/33/705614333.db2.gz JICCVUXBXPYZJS-MRXNPFEDSA-N 2 0 353.551 3.486 20 0 FGADRP C[N@@H+]1CCCN(CCC[NH2+]Cc2ccc(Cl)c(Br)c2)CC1 ZINC000179868708 705719104 /nfs/dbraw/zinc/71/91/04/705719104.db2.gz QJQYMTOSMQJJPT-UHFFFAOYSA-N 2 0 374.754 3.220 20 0 FGADRP CC[N@H+](C)C[C@H]1CC[NH+](CCC2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000180043220 705725532 /nfs/dbraw/zinc/72/55/32/705725532.db2.gz GXLHLKDSRBITFP-GOSISDBHSA-N 2 0 353.551 3.297 20 0 FGADRP COc1ccc([C@@H](C)[NH2+]C[C@]2(O)CCSC2)cc1C[NH+]1CCCCC1 ZINC000183069562 705876150 /nfs/dbraw/zinc/87/61/50/705876150.db2.gz ZKFXAQUXLSLJOI-OXQOHEQNSA-N 2 0 364.555 3.200 20 0 FGADRP COc1ccc([C@H](C)[NH2+][C@H](C)[C@H](CO)SC)cc1C[NH+]1CCCCC1 ZINC000246012957 713615372 /nfs/dbraw/zinc/61/53/72/713615372.db2.gz ILEQNMMQBNETII-YRNRMSPPSA-N 2 0 366.571 3.444 20 0 FGADRP Ic1ccccc1[C@H]1CCC[N@@H+]1CC1CC[NH2+]CC1 ZINC000261849065 713715072 /nfs/dbraw/zinc/71/50/72/713715072.db2.gz VFXRMATVYXLUAE-MRXNPFEDSA-N 2 0 370.278 3.428 20 0 FGADRP C[C@H](C[NH2+][C@H](C)C[C@H]1CCCN1C(=O)OC(C)(C)C)C[NH+]1CCCC1 ZINC000310514734 713799339 /nfs/dbraw/zinc/79/93/39/713799339.db2.gz XCSBSNKOSFVVDX-KZNAEPCWSA-N 2 0 353.551 3.486 20 0 FGADRP CC(C)C[NH+]1CCC([NH2+][C@@H]2CCCN(C(=O)OC(C)(C)C)[C@@H]2C)CC1 ZINC000310599807 713799673 /nfs/dbraw/zinc/79/96/73/713799673.db2.gz HXEXCUBFLOAASR-SJLPKXTDSA-N 2 0 353.551 3.484 20 0 FGADRP CC(C)(C)OC(=O)N1CC[C@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)C(C)(C)C1 ZINC000310677743 713800245 /nfs/dbraw/zinc/80/02/45/713800245.db2.gz QBLZSYQTZLBWFL-BBWFWOEESA-N 2 0 351.535 3.238 20 0 FGADRP CO[C@@H](C[N@@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1)c1ccc(Cl)cc1 ZINC000374783602 713943640 /nfs/dbraw/zinc/94/36/40/713943640.db2.gz WUURDEDCHYYZGR-PMACEKPBSA-N 2 0 365.949 3.128 20 0 FGADRP CC[NH+]1CCC(C[NH2+][C@H]2CCCC[C@@H]2CNC(=O)OC(C)(C)C)CC1 ZINC000384457584 713982146 /nfs/dbraw/zinc/98/21/46/713982146.db2.gz ZZEVZDAEWPWFAD-MSOLQXFVSA-N 2 0 353.551 3.391 20 0 FGADRP CC[NH+]1CCC(C[NH2+]C[C@@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000390867178 713988756 /nfs/dbraw/zinc/98/87/56/713988756.db2.gz NHPUCMPNRSFRSH-OAHLLOKOSA-N 2 0 361.313 3.055 20 0 FGADRP C[C@@H]([NH3+])c1ccc(C[NH2+]Cc2cc3c(c(Br)c2)OCO3)cc1 ZINC000414814413 714005477 /nfs/dbraw/zinc/00/54/77/714005477.db2.gz VLUFNGUKEBCUHU-LLVKDONJSA-N 2 0 363.255 3.487 20 0 FGADRP C[C@H](O)C[C@H]1CCCC[N@@H+]1CCCCC[NH+]1CCCC[C@H]1C[C@H](C)O ZINC000447837469 714037031 /nfs/dbraw/zinc/03/70/31/714037031.db2.gz UYTUDAPNYVDPHZ-XSDIEEQYSA-N 2 0 354.579 3.408 20 0 FGADRP OC1CC[NH+](Cc2ccc(C[NH2+]Cc3scnc3C3CC3)cc2)CC1 ZINC000487286265 714098734 /nfs/dbraw/zinc/09/87/34/714098734.db2.gz FIQDUZXHZPCUED-UHFFFAOYSA-N 2 0 357.523 3.267 20 0 FGADRP OC[C@@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+]Cc1scnc1C1CC1 ZINC000487568603 714099345 /nfs/dbraw/zinc/09/93/45/714099345.db2.gz ZGXQSUBMQDGCPH-SFHVURJKSA-N 2 0 357.523 3.267 20 0 FGADRP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)NC[C@H](C1CCCCC1)[NH+](C)C ZINC000521698038 714142679 /nfs/dbraw/zinc/14/26/79/714142679.db2.gz NIUKSSYRFALBSF-ZHALLVOQSA-N 2 0 352.567 3.059 20 0 FGADRP C[NH+](C)CC[C@H](NC(=O)NCCC[N@H+](C)C1CCCCC1)C(C)(C)C ZINC000522612346 714195418 /nfs/dbraw/zinc/19/54/18/714195418.db2.gz UWHYQJYKMPFLMA-SFHVURJKSA-N 2 0 354.583 3.307 20 0 FGADRP Cc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)c(-n2cc(Cl)cn2)n1 ZINC000643483703 718036187 /nfs/dbraw/zinc/03/61/87/718036187.db2.gz CNHJFNSFPWHVSU-RCCFBDPRSA-N 2 0 359.905 3.239 20 0 FGADRP Cc1nc([C@H](C)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)c(C)s1 ZINC000643544669 718038806 /nfs/dbraw/zinc/03/88/06/718038806.db2.gz UPLIXBKVMQVEHG-HNNXBMFYSA-N 2 0 358.555 3.404 20 0 FGADRP CN1C(=O)C[C@H](N[C@H]2CC[N@H+](C)C(C)(C)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000623472194 715342766 /nfs/dbraw/zinc/34/27/66/715342766.db2.gz HUGWUJUDWSTLCB-QANKJYHBSA-N 2 0 367.896 3.213 20 0 FGADRP C[C@H](C[NH2+]Cc1c[nH]nc1-c1ccc(Br)s1)C[NH+](C)C ZINC000623529985 715355197 /nfs/dbraw/zinc/35/51/97/715355197.db2.gz IBUWHYNSSDWFAW-SNVBAGLBSA-N 2 0 357.321 3.188 20 0 FGADRP C[C@@H]1CC[C@@H](NC(=O)N[C@H](C[NH+](C)C)c2ccc(Cl)c(Cl)c2)C[NH2+]1 ZINC000627209653 716008342 /nfs/dbraw/zinc/00/83/42/716008342.db2.gz UBTMMUXLUSLHET-AXAPSJFSSA-N 2 0 373.328 3.036 20 0 FGADRP COC[C@H](CCC[NH3+])[NH2+][C@@H](C)c1cc(F)c(Br)cc1F ZINC000629515237 716301706 /nfs/dbraw/zinc/30/17/06/716301706.db2.gz NHESNVSQKXLQGE-UWVGGRQHSA-N 2 0 351.235 3.132 20 0 FGADRP Clc1cccc(O[C@@H]2CC[N@H+](Cc3cc(C4CC[NH2+]CC4)no3)C2)c1 ZINC000629515353 716302567 /nfs/dbraw/zinc/30/25/67/716302567.db2.gz RZWSEYIHOKUEQF-QGZVFWFLSA-N 2 0 361.873 3.448 20 0 FGADRP O[C@@H](C[NH2+][C@H]1CCCN(c2ccc(Cl)cc2Cl)C1)C[NH+]1CCCC1 ZINC000629574063 716311200 /nfs/dbraw/zinc/31/12/00/716311200.db2.gz GEUJZDIOKIGTMD-HOTGVXAUSA-N 2 0 372.340 3.009 20 0 FGADRP C[N@H+](CC(=O)NC[C@H]1CC[NH+](C)[C@H]1c1ccc(Cl)c(F)c1)C1CCC1 ZINC000629977542 716372540 /nfs/dbraw/zinc/37/25/40/716372540.db2.gz KREKCYXNMNSATK-KUHUBIRLSA-N 2 0 367.896 3.072 20 0 FGADRP C[NH+](C)C[C@H](NC(=O)C[N@H+](C)C1CCC1)c1ccc(Cl)c(Cl)c1 ZINC000630025087 716378273 /nfs/dbraw/zinc/37/82/73/716378273.db2.gz KDSMWEMSMYDDHP-INIZCTEOSA-N 2 0 358.313 3.197 20 0 FGADRP OCC[C@@H]([NH2+]C1CCN(C[C@@H]2CCCO2)CC1)c1ccc(Cl)c(F)c1 ZINC000631663436 716656075 /nfs/dbraw/zinc/65/60/75/716656075.db2.gz XXGFVRYEDQYWGA-QFBILLFUSA-N 2 0 370.896 3.136 20 0 FGADRP CCC1([NH+](C)C)CCN(C(=O)NCCCC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000632896435 716838335 /nfs/dbraw/zinc/83/83/35/716838335.db2.gz ASSUIDQZAWJIKL-GOSISDBHSA-N 2 0 352.567 3.157 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)c1ccccc1Cl ZINC000635188609 717152487 /nfs/dbraw/zinc/15/24/87/717152487.db2.gz OPMBENSRBNNCEF-MAUKXSAKSA-N 2 0 351.922 3.181 20 0 FGADRP COCCc1ncc(C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)s1 ZINC000637908000 717389061 /nfs/dbraw/zinc/38/90/61/717389061.db2.gz XBXSUPZDPPWLTD-UHFFFAOYSA-N 2 0 351.560 3.420 20 0 FGADRP CC[NH+](CC)CCC[C@@H](C)NC(=O)[C@H]([NH3+])c1ccc(C(F)(F)F)cc1 ZINC000638048000 717403991 /nfs/dbraw/zinc/40/39/91/717403991.db2.gz LWQKGGGFCKFAAY-CZUORRHYSA-N 2 0 359.436 3.332 20 0 FGADRP COc1ccc(Cl)cc1NC(=O)[C@H](C)[N@@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639757095 717598924 /nfs/dbraw/zinc/59/89/24/717598924.db2.gz FGHAACLPUNQFGC-AWEZNQCLSA-N 2 0 365.905 3.093 20 0 FGADRP C[C@H](C(=O)N1CCC[C@H]1c1cccs1)[N@@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639758516 717598979 /nfs/dbraw/zinc/59/89/79/717598979.db2.gz VVYNMHFYEQEUMV-SJORKVTESA-N 2 0 361.555 3.218 20 0 FGADRP O[C@H](C[NH2+]C1CC[NH+](C2CCCC2)CC1)COCc1ccccc1Cl ZINC000644584191 718128400 /nfs/dbraw/zinc/12/84/00/718128400.db2.gz OYHZFXVPTKMLME-LJQANCHMSA-N 2 0 366.933 3.214 20 0 FGADRP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+]CC(C)(C)[C@@]2(O)CCOC2)CC1 ZINC000647342264 718351259 /nfs/dbraw/zinc/35/12/59/718351259.db2.gz LTWOQYFDYLSWBG-OAQYLSRUSA-N 2 0 354.579 3.433 20 0 FGADRP Oc1cccc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c1Br ZINC000647544566 718366914 /nfs/dbraw/zinc/36/69/14/718366914.db2.gz YCILSTTUMYXVGT-KGLIPLIRSA-N 2 0 353.304 3.366 20 0 FGADRP C[C@H](C(=O)NCc1ccc(Cl)cc1)[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647976605 718391230 /nfs/dbraw/zinc/39/12/30/718391230.db2.gz QXJYXPDDNIMLCG-NXHRZFHOSA-N 2 0 363.933 3.056 20 0 FGADRP C[C@H](C(=O)Nc1ccc(F)c(F)c1)[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647976712 718391339 /nfs/dbraw/zinc/39/13/39/718391339.db2.gz SKBQNDROFQATJE-ILXRZTDVSA-N 2 0 351.441 3.003 20 0 FGADRP C[C@H](C(=O)NCc1ccccc1Cl)[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647976247 718391466 /nfs/dbraw/zinc/39/14/66/718391466.db2.gz MBKBMYPIQZJHOE-RYRKJORJSA-N 2 0 363.933 3.056 20 0 FGADRP C[C@@H]1COCCCN1Cc1cc(C[N@@H+]2CCCOC[C@@H]2C)ccc1F ZINC000649391550 718510693 /nfs/dbraw/zinc/51/06/93/718510693.db2.gz QOJUTXDCFQXQCR-DLBZAZTESA-N 2 0 350.478 3.047 20 0 FGADRP Fc1cccc(-c2ccc(C[NH+]3CCN(C[C@@H]4CC[NH2+]C4)CC3)s2)c1 ZINC000649411810 718512520 /nfs/dbraw/zinc/51/25/20/718512520.db2.gz DQFCXPXBQRBWPQ-MRXNPFEDSA-N 2 0 359.514 3.281 20 0 FGADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@H+](Cc3ccccc3Br)C2)C1 ZINC000650705718 718717186 /nfs/dbraw/zinc/71/71/86/718717186.db2.gz STXRKIDVAWZLNX-UXLLHSPISA-N 2 0 353.304 3.167 20 0 FGADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2Cc2ccc(Br)cc2)C1 ZINC000650722277 718719832 /nfs/dbraw/zinc/71/98/32/718719832.db2.gz OPTOVPSALDWHMB-IKGGRYGDSA-N 2 0 353.304 3.310 20 0 FGADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@@H+]2Cc2cc(O)ccc2Br)C1 ZINC000650722944 718720444 /nfs/dbraw/zinc/72/04/44/718720444.db2.gz DZOXIBYHZFNIKC-XOKHGSTOSA-N 2 0 369.303 3.016 20 0 FGADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2Cc2cnc(-c3ccccn3)s2)C1 ZINC000650723165 718720643 /nfs/dbraw/zinc/72/06/43/718720643.db2.gz IETRBIBSCDKGNS-JLSDUUJJSA-N 2 0 358.511 3.066 20 0 FGADRP CN(C)CC[NH+]1CCC(C[NH2+][C@@H]2CCc3ccc(F)c(Cl)c32)CC1 ZINC000651706199 718853317 /nfs/dbraw/zinc/85/33/17/718853317.db2.gz WGZVKSBGSKBACM-QGZVFWFLSA-N 2 0 353.913 3.330 20 0 FGADRP CC[NH2+]CC1CCN(C(=O)NCCC[N@H+](CC)C2CCCCC2)CC1 ZINC000652227899 718924389 /nfs/dbraw/zinc/92/43/89/718924389.db2.gz QPXWJTLHXPKYOW-UHFFFAOYSA-N 2 0 352.567 3.062 20 0 FGADRP Cc1ccc(-c2nc(C[N@@H+]3CCC[C@H]([C@@H]4C[C@@H]([NH3+])CCO4)C3)cs2)o1 ZINC000652348480 718935285 /nfs/dbraw/zinc/93/52/85/718935285.db2.gz FKUFBPDHEAUPJY-MPGHIAIKSA-N 2 0 361.511 3.430 20 0 FGADRP Cc1c(Br)cccc1C[N@@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652350383 718935390 /nfs/dbraw/zinc/93/53/90/718935390.db2.gz WJFFIPBUXLUOPV-LZLYRXPVSA-N 2 0 367.331 3.476 20 0 FGADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@@H+]2CCC(=O)Nc2ccccc2Cl)C1 ZINC000652361765 718936902 /nfs/dbraw/zinc/93/69/02/718936902.db2.gz OVAOELYFLUCJNF-FHLIZLRMSA-N 2 0 365.905 3.029 20 0 FGADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@@H+]2CCCOc2ccc(Cl)cc2)C1 ZINC000652361836 718936905 /nfs/dbraw/zinc/93/69/05/718936905.db2.gz QMVOXWXJVXBCBI-NZSAHSFTSA-N 2 0 352.906 3.470 20 0 FGADRP [NH3+]CC1(NC(=O)Nc2ccc(SCC[NH+]3CCCC3)cc2)CCCC1 ZINC000652613215 718965936 /nfs/dbraw/zinc/96/59/36/718965936.db2.gz NFWPNZAWMJOZLD-UHFFFAOYSA-N 2 0 362.543 3.268 20 0 FGADRP c1cn(-c2cc[nH+]c(N3CCC[C@H]4C[N@@H+](Cc5ccccc5)C[C@H]43)c2)cn1 ZINC001164629616 719106062 /nfs/dbraw/zinc/10/60/62/719106062.db2.gz SWAPGAQODLAZLK-PZJWPPBQSA-N 2 0 359.477 3.368 20 0 FGADRP Cc1nn2c(C[N@@H+]3CCC[C@H](C4CC[NH2+]CC4)C3)c(C(C)C)nc2s1 ZINC000656783071 719470109 /nfs/dbraw/zinc/47/01/09/719470109.db2.gz NUHPGDDRLGUTEE-INIZCTEOSA-N 2 0 361.559 3.434 20 0 FGADRP CN(C)[C@@H](C[NH2+]Cc1ccnn1-c1cc[nH+]cc1)c1ccc(Cl)cc1 ZINC000657384037 719637683 /nfs/dbraw/zinc/63/76/83/719637683.db2.gz QUEKGWKQVSNOBZ-IBGZPJMESA-N 2 0 355.873 3.313 20 0 FGADRP Cc1ccc(-c2ncc(C[NH2+][C@@H](C)CN(C)CCC[NH+](C)C)s2)cc1 ZINC000657572968 719677108 /nfs/dbraw/zinc/67/71/08/719677108.db2.gz HABJNTSOHDFBPB-KRWDZBQOSA-N 2 0 360.571 3.480 20 0 FGADRP CC[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]CCCN1CC[NH+](C)CC1 ZINC000657824007 719717629 /nfs/dbraw/zinc/71/76/29/719717629.db2.gz NLEHJIUWXRJENX-SFHVURJKSA-N 2 0 357.464 3.254 20 0 FGADRP C([NH2+][C@H]1CCCC[C@@H]1[C@@H]1CCOC1)C1CC[NH+](C2CCOCC2)CC1 ZINC000658071460 719751710 /nfs/dbraw/zinc/75/17/10/719751710.db2.gz XDJXXYXGFOZMRQ-NRSPTQNISA-N 2 0 350.547 3.062 20 0 FGADRP C[C@@H]([NH2+][C@@H](C)CN(C)CCC[NH+](C)C)c1sccc1Br ZINC000658110572 719758105 /nfs/dbraw/zinc/75/81/05/719758105.db2.gz YVXNUMMFBVONHI-QWHCGFSZSA-N 2 0 362.381 3.433 20 0 FGADRP [NH3+][C@H]1CCCO[C@@H]1C1CC[NH+](CCSc2ccc(F)cc2F)CC1 ZINC000662279725 720409006 /nfs/dbraw/zinc/40/90/06/720409006.db2.gz BLLKIJYZGGPQSM-FUHWJXTLSA-N 2 0 356.482 3.275 20 0 FGADRP CC[C@@H]([NH2+]C[C@@H]1CCC2(C[NH2+]C2)O1)c1cc(F)cc(Br)c1 ZINC000662280849 720409097 /nfs/dbraw/zinc/40/90/97/720409097.db2.gz GIXYAWQMWCUGBC-LSDHHAIUSA-N 2 0 357.267 3.150 20 0 FGADRP CN(Cc1ccc(Cl)s1)C(=O)C[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662290630 720410632 /nfs/dbraw/zinc/41/06/32/720410632.db2.gz GSSTYYWFWVBNHU-HNNXBMFYSA-N 2 0 369.962 3.072 20 0 FGADRP CSc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)cc1 ZINC000662294677 720411510 /nfs/dbraw/zinc/41/15/10/720411510.db2.gz DRPKMKUVKDMYJL-NVXWUHKLSA-N 2 0 361.555 3.447 20 0 FGADRP O[C@H](C[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2)CC(F)(F)F ZINC000663368284 720506509 /nfs/dbraw/zinc/50/65/09/720506509.db2.gz CSEXLWSAMMVCAO-IRXDYDNUSA-N 2 0 356.432 3.192 20 0 FGADRP CN1CC[C@@](O)(C[NH2+][C@@H]2CCCSc3ccc(Br)cc32)C1 ZINC000663448520 720515604 /nfs/dbraw/zinc/51/56/04/720515604.db2.gz ZPRDVBHUKCEUFO-GDBMZVCRSA-N 2 0 371.344 3.032 20 0 FGADRP FC(F)(F)CC[NH+]1CCC(N[C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)CC1 ZINC000665251683 720747126 /nfs/dbraw/zinc/74/71/26/720747126.db2.gz WIYVNRVJHCANRN-QZTJIDSGSA-N 2 0 355.448 3.139 20 0 FGADRP CC[C@@H]([NH2+]C1CCN(C(=O)CCC[NH2+]C)CC1)c1cccc(Cl)c1 ZINC000665285276 720750202 /nfs/dbraw/zinc/75/02/02/720750202.db2.gz ILTXKURPKUGNML-GOSISDBHSA-N 2 0 351.922 3.371 20 0 FGADRP C[C@@H]1CC[C@@H](NC2CC[NH+](C(C)(C)CC(C)(C)C)CC2)CS1(=O)=O ZINC000668562909 721311239 /nfs/dbraw/zinc/31/12/39/721311239.db2.gz RVYQLPNRQFXBIH-NVXWUHKLSA-N 2 0 358.592 3.221 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N[C@H]1CCC[NH2+]CC1)c1ccccc1Cl ZINC000668649590 721326483 /nfs/dbraw/zinc/32/64/83/721326483.db2.gz WJJVBMBRCZEJEG-MAUKXSAKSA-N 2 0 366.937 3.164 20 0 FGADRP Fc1cccc(O[C@H]2C[C@@H]3CN(c4cc5[nH]ccc5c[nH+]4)CC[N@@H+]3C2)c1 ZINC001164898110 721515860 /nfs/dbraw/zinc/51/58/60/721515860.db2.gz HTXNBLIDXJTBHV-AEFFLSMTSA-N 2 0 352.413 3.044 20 0 FGADRP C[C@@H]([NH2+]CC1(N2CCOC(C)(C)C2)CCCCC1)C1CC[NH+](C)CC1 ZINC000675835220 721776561 /nfs/dbraw/zinc/77/65/61/721776561.db2.gz UJRIFAYFAAWRKA-GOSISDBHSA-N 2 0 351.579 3.120 20 0 FGADRP CC(C)[C@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccc(F)c(F)c1 ZINC000679771566 722047434 /nfs/dbraw/zinc/04/74/34/722047434.db2.gz SXHGWKYSIHHCPS-JXFKEZNVSA-N 2 0 351.485 3.420 20 0 FGADRP Cc1cc(C)[nH+]c(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)c1 ZINC001164961150 722052159 /nfs/dbraw/zinc/05/21/59/722052159.db2.gz SIJMRRFPATXEPV-UHFFFAOYSA-N 2 0 366.509 3.212 20 0 FGADRP Cc1c[nH+]c(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)cc1C ZINC001164961758 722060269 /nfs/dbraw/zinc/06/02/69/722060269.db2.gz OYHKQKLVNNYLEX-UHFFFAOYSA-N 2 0 366.509 3.212 20 0 FGADRP CC[NH+]1CCC(C[NH2+][C@H]2C[C@H]3C[C@@H](C2)N(C(=O)OC(C)(C)C)C3)CC1 ZINC000707908316 722412382 /nfs/dbraw/zinc/41/23/82/722412382.db2.gz QKILMBYQVQKLCU-BZSNNMDCSA-N 2 0 351.535 3.096 20 0 FGADRP OC1(CC[NH2+]Cc2ccc(Cl)cn2)CC[NH+](Cc2ccccc2)CC1 ZINC000717932406 722417903 /nfs/dbraw/zinc/41/79/03/722417903.db2.gz BFIMCBRCOKZUCU-UHFFFAOYSA-N 2 0 359.901 3.242 20 0 FGADRP C[NH+](C)CCOC1CC[NH+](CCc2cccc(OC(F)(F)F)c2)CC1 ZINC000746799186 722618286 /nfs/dbraw/zinc/61/82/86/722618286.db2.gz BICCJQCJCHDSJM-UHFFFAOYSA-N 2 0 360.420 3.170 20 0 FGADRP O[C@@H](C[NH2+]C1(c2ccc(Br)cc2)CCCC1)C[NH+]1CCCC1 ZINC000747676382 722656041 /nfs/dbraw/zinc/65/60/41/722656041.db2.gz VIJVZUSZVTWVIW-KRWDZBQOSA-N 2 0 367.331 3.265 20 0 FGADRP CC(C)C[NH+]1CCN(C(=O)NCCCCCCC[NH+]2CCCC2)CC1 ZINC000747955011 722669455 /nfs/dbraw/zinc/66/94/55/722669455.db2.gz GLQLDWNDNVUHDE-UHFFFAOYSA-N 2 0 352.567 3.016 20 0 FGADRP CN(C)[C@@]1(C[NH2+]CCC2CCN(C(=O)OC(C)(C)C)CC2)CCSC1 ZINC000748244508 722681483 /nfs/dbraw/zinc/68/14/83/722681483.db2.gz MPRCFXSYXMTGRU-LJQANCHMSA-N 2 0 371.591 3.051 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)/C=C\c1ccccc1Cl ZINC000750735450 722779377 /nfs/dbraw/zinc/77/93/77/722779377.db2.gz XJUPPCCVMMIEOJ-YUIUBULTSA-N 2 0 363.933 3.228 20 0 FGADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H](C)c2cc(Cl)c(N)c(Cl)c2)CC1 ZINC000760156272 723040419 /nfs/dbraw/zinc/04/04/19/723040419.db2.gz JWOVRMFVULQYNB-QWHCGFSZSA-N 2 0 359.345 3.252 20 0 FGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@@H](C)c2cc(Cl)c(N)c(Cl)c2)CC1 ZINC000760156793 723040433 /nfs/dbraw/zinc/04/04/33/723040433.db2.gz GWMJOLZKXYAWJN-KBPBESRZSA-N 2 0 373.372 3.500 20 0 FGADRP CCOC(=O)C(F)(F)[C@H]1CCC[C@@H]([NH2+]C2CC([NH+]3CCCCC3)C2)C1 ZINC000793338973 723426309 /nfs/dbraw/zinc/42/63/09/723426309.db2.gz ZNXFNERMPYHRMX-NJINODPHSA-N 2 0 358.473 3.350 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@H](O)c2cccc(Cl)c2)[C@H](C)C1 ZINC000765259993 723499127 /nfs/dbraw/zinc/49/91/27/723499127.db2.gz QDAGHBSLWZCJCA-MNEFBYGVSA-N 2 0 354.922 3.100 20 0 FGADRP C[C@H](CSC(C)(C)C)[NH2+][C@@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC000766120637 723556845 /nfs/dbraw/zinc/55/68/45/723556845.db2.gz AENJUUYNQWJQMK-BHIYHBOVSA-N 2 0 350.572 3.379 20 0 FGADRP CC(C)(C)OC(=O)N1CC[C@@H]2C[N@H+](CCC[NH+]3CCCCC3)CC[C@@H]21 ZINC000795126446 723565546 /nfs/dbraw/zinc/56/55/46/723565546.db2.gz WJRBJCJIGHDRSD-MSOLQXFVSA-N 2 0 351.535 3.194 20 0 FGADRP CC[N@@H+]1CCC[C@@H](C[NH2+]C2CCC(CNC(=O)OC(C)(C)C)CC2)C1 ZINC000796279690 723629777 /nfs/dbraw/zinc/62/97/77/723629777.db2.gz DLCSNYPMIKGWJD-ADKAHSJRSA-N 2 0 353.551 3.391 20 0 FGADRP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCCCN2C(=O)OC(C)(C)C)[C@@H]2CCC[C@@H]21 ZINC000796707472 723651222 /nfs/dbraw/zinc/65/12/22/723651222.db2.gz OBEIZURVAFQGOC-XSLAGTTESA-N 2 0 351.535 3.238 20 0 FGADRP C[N@@H+]1CC[C@H]([NH2+]C[C@H](O)c2ccc(OC(F)(F)F)cc2)[C@H]2CCC[C@H]21 ZINC000796736804 723652586 /nfs/dbraw/zinc/65/25/86/723652586.db2.gz HPMCCPJLPMLPMW-TWMKSMIVSA-N 2 0 358.404 3.081 20 0 FGADRP COc1ccc([C@H](C)[NH2+]CC[C@H](C)[S@@](C)=O)cc1C[NH+]1CCCCC1 ZINC000775416264 723989419 /nfs/dbraw/zinc/98/94/19/723989419.db2.gz XODVRXOLGIZVIG-XOWTYJCDSA-N 2 0 366.571 3.489 20 0 FGADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1C[C@@H]2CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H]2C1 ZINC000784510061 724859655 /nfs/dbraw/zinc/85/96/55/724859655.db2.gz JIFAVBLTEUCOLC-BSDSXHPESA-N 2 0 351.535 3.096 20 0 FGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]C[C@H](O)c2ccc(Cl)cc2)[C@@H](C)C1 ZINC000787302215 725024117 /nfs/dbraw/zinc/02/41/17/725024117.db2.gz HJWIQEONDUBUMR-IPELMVKDSA-N 2 0 354.922 3.100 20 0 FGADRP C[C@H](C[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1C)C[NH+]1CCCC1 ZINC000788548695 725072097 /nfs/dbraw/zinc/07/20/97/725072097.db2.gz SIOOGOLXDMAFET-FGTMMUONSA-N 2 0 353.551 3.344 20 0 FGADRP C[NH+](C)CCOc1ccc(CC[NH2+][C@@H]2CCc3ccc(Cl)nc32)cc1 ZINC000788595733 725074604 /nfs/dbraw/zinc/07/46/04/725074604.db2.gz VLMWRHUYMNWWHR-GOSISDBHSA-N 2 0 359.901 3.495 20 0 FGADRP C[C@@H]1C[C@@H](C)C[NH+](CCCC[NH2+]Cc2ncc(C3OCCO3)s2)C1 ZINC000809606565 725251730 /nfs/dbraw/zinc/25/17/30/725251730.db2.gz WWNLIQYIUXQXLH-HUUCEWRRSA-N 2 0 353.532 3.036 20 0 FGADRP CC[N@H+](CCC[NH+]1CCCC1)C[C@@]1(C)CCN(C(=O)OC(C)(C)C)C1 ZINC000809749752 725264948 /nfs/dbraw/zinc/26/49/48/725264948.db2.gz JWZVPWOGPDXTTL-HXUWFJFHSA-N 2 0 353.551 3.441 20 0 FGADRP CC(C)C[C@H](C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1)NC(=O)OC(C)(C)C ZINC000811468103 725367790 /nfs/dbraw/zinc/36/77/90/725367790.db2.gz ZSXNXBLDQPHHGY-KZNAEPCWSA-N 2 0 353.551 3.342 20 0 FGADRP CC[C@H](C)[NH2+][C@H](CNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1)c1ccco1 ZINC000811525721 725372588 /nfs/dbraw/zinc/37/25/88/725372588.db2.gz XXCYLRUMLVROAB-QMTMVMCOSA-N 2 0 353.482 3.038 20 0 FGADRP C[C@H](OC[C@H](O)C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2)c1ccc(Cl)cc1 ZINC000815145590 727045102 /nfs/dbraw/zinc/04/51/02/727045102.db2.gz ZHFFFTWJRXBPPU-DBVUQKKJSA-N 2 0 366.933 3.196 20 0 FGADRP C[N@@H+]1CCC[C@@]2(CC[NH+](C[C@@]3(C)CCN(C(=O)OC(C)(C)C)C3)C2)C1 ZINC000816641945 727183946 /nfs/dbraw/zinc/18/39/46/727183946.db2.gz KJEIJDNIQKGITC-WOJBJXKFSA-N 2 0 351.535 3.051 20 0 FGADRP CC(C)(C)OC(=O)N1CC[C@@](C)(C[NH2+]CCCCC[NH+]2CCCC2)C1 ZINC000816644632 727184387 /nfs/dbraw/zinc/18/43/87/727184387.db2.gz RTFPKXXVEHODAX-FQEVSTJZSA-N 2 0 353.551 3.489 20 0 FGADRP CC(C)(C)OC(=O)N1CC[C@](C)(C[NH2+]CCCCC[NH+]2CCCC2)C1 ZINC000816644633 727184421 /nfs/dbraw/zinc/18/44/21/727184421.db2.gz RTFPKXXVEHODAX-HXUWFJFHSA-N 2 0 353.551 3.489 20 0 FGADRP O[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)c1ccc(OC(F)(F)F)cc1 ZINC000817900259 727287408 /nfs/dbraw/zinc/28/74/08/727287408.db2.gz LSNCUOIZYRWXOT-YLFCFFPRSA-N 2 0 358.404 3.129 20 0 FGADRP C[C@H](C[NH2+]C[C@@H](O)c1ccccc1Br)C[NH+]1CCCCC1 ZINC000818968956 727331994 /nfs/dbraw/zinc/33/19/94/727331994.db2.gz HOJGCOQTHVQICZ-RHSMWYFYSA-N 2 0 355.320 3.194 20 0 FGADRP C[C@H](C[NH2+]C[C@H](O)c1ccc(F)c(Br)c1)C[NH+]1CCCCC1 ZINC000818970593 727332483 /nfs/dbraw/zinc/33/24/83/727332483.db2.gz XCHYHHNVNBTETA-DYVFJYSZSA-N 2 0 373.310 3.333 20 0 FGADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]C[C@@H](O)c2ccc(F)c(Br)c2)C1 ZINC000818984627 727334413 /nfs/dbraw/zinc/33/44/13/727334413.db2.gz JLZKGGSAJAKHNX-SUMWQHHRSA-N 2 0 373.310 3.332 20 0 FGADRP CC(C)(C[NH2+]C[C@@H](O)c1ccc(OC(F)(F)F)cc1)C[NH+]1CCCC1 ZINC000819258610 727362016 /nfs/dbraw/zinc/36/20/16/727362016.db2.gz BFSHGEHOQJNUJT-MRXNPFEDSA-N 2 0 360.420 3.330 20 0 FGADRP Cc1nc(C2CC[NH2+]CC2)sc1-c1nc(-c2ccc(C[NH3+])cc2)no1 ZINC000871787653 735546416 /nfs/dbraw/zinc/54/64/16/735546416.db2.gz AMOFLOBUONFBOA-UHFFFAOYSA-N 2 0 355.467 3.094 20 0 FGADRP C[C@@H]1CC[C@H]([NH2+]C2CCC(C[NH+](C)C)CC2)CN1C(=O)OC(C)(C)C ZINC000822465093 729178094 /nfs/dbraw/zinc/17/80/94/729178094.db2.gz ZZSXJUKQFIPBOD-CPFNUKBASA-N 2 0 353.551 3.484 20 0 FGADRP Cc1cc([C@@H]([NH3+])CC(=O)Nc2ccc(CC[NH+](C)C)cc2)cc(Cl)n1 ZINC000828540408 729444780 /nfs/dbraw/zinc/44/47/80/729444780.db2.gz ALBKRQATNGLTAO-KRWDZBQOSA-N 2 0 360.889 3.176 20 0 FGADRP C[C@@H]([NH2+]CCC[C@H]1CCCN1C(=O)OC(C)(C)C)C1CC[NH+](C)CC1 ZINC000834893965 729844429 /nfs/dbraw/zinc/84/44/29/729844429.db2.gz RHHFESJBFGOVSD-AEFFLSMTSA-N 2 0 353.551 3.486 20 0 FGADRP C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]CCCCCC[NH3+] ZINC000843128052 730589160 /nfs/dbraw/zinc/58/91/60/730589160.db2.gz SVNUTWJLFXXORA-ZDUSSCGKSA-N 2 0 356.308 3.275 20 0 FGADRP C[C@@H]1C[C@H]([NH2+]C2CC[NH+](CC3CC3)CC2)CN(C(=O)OC(C)(C)C)C1 ZINC000843398375 730614576 /nfs/dbraw/zinc/61/45/76/730614576.db2.gz IBWKPPQAEBDXLF-QAPCUYQASA-N 2 0 351.535 3.096 20 0 FGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]CCCCCC[NH3+])CC1 ZINC000846222500 730937403 /nfs/dbraw/zinc/93/74/03/730937403.db2.gz FAORZTANQMJLLP-QGZVFWFLSA-N 3 0 350.526 3.137 20 0 FGADRP Cc1nn(C)c2nc(Cl)c(C[N@@H+]3CCC[C@@H](C4CC[NH2+]CC4)C3)cc12 ZINC000849350522 731251517 /nfs/dbraw/zinc/25/15/17/731251517.db2.gz OZPASZSLESOQBE-OAHLLOKOSA-N 2 0 361.921 3.142 20 0 FGADRP C[N@@H+]1CC[C@]2(C1)CCC[NH+](CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1)C2 ZINC000852107751 731544140 /nfs/dbraw/zinc/54/41/40/731544140.db2.gz PVCWTWPKIDHXTE-XLIONFOSSA-N 2 0 351.535 3.051 20 0 FGADRP Cc1nn(CC(C)C)c(Cl)c1[C@H]1CCC[N@@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000852745978 731629489 /nfs/dbraw/zinc/62/94/89/731629489.db2.gz FYHAFPCQULJWMP-JKSUJKDBSA-N 2 0 366.937 3.159 20 0 FGADRP c1c(C2CC[NH+](CCC3SCCS3)CC2)n[nH]c1C1CC[NH2+]CC1 ZINC000853023630 731651144 /nfs/dbraw/zinc/65/11/44/731651144.db2.gz FFFQBZHFFXSFAT-UHFFFAOYSA-N 2 0 366.600 3.252 20 0 FGADRP O[C@H](C[NH2+]CC1CC[NH+](CC2CC2)CC1)c1ccc(Br)cc1 ZINC000853131507 731669032 /nfs/dbraw/zinc/66/90/32/731669032.db2.gz IZSBFTMHXFZREB-GOSISDBHSA-N 2 0 367.331 3.194 20 0 FGADRP CC[NH+]1CCC(C[NH2+]C[C@@H](CC(F)(F)F)NC(=O)OC(C)(C)C)CC1 ZINC000865451451 733203423 /nfs/dbraw/zinc/20/34/23/733203423.db2.gz OLYFJTFFSVZEKS-CQSZACIVSA-N 2 0 367.456 3.154 20 0 FGADRP C[C@@H](CC(=O)Nc1cccnc1Cl)[NH2+]C1CCC(C)([NH+](C)C)CC1 ZINC000866515439 733359498 /nfs/dbraw/zinc/35/94/98/733359498.db2.gz BQXAATDJYBVWQG-VNSJNIRKSA-N 2 0 352.910 3.305 20 0 FGADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](c2cccc(Br)c2)[C@H]2CCOC2)C1 ZINC000872025759 735577857 /nfs/dbraw/zinc/57/78/57/735577857.db2.gz SPABTKCTRWWJGC-HFTRVMKXSA-N 2 0 367.331 3.458 20 0 FGADRP C[NH+](C)C1(C)CCC([NH2+]C[C@@H](O)c2ccc(OC(F)(F)F)cc2)CC1 ZINC000872228565 735605633 /nfs/dbraw/zinc/60/56/33/735605633.db2.gz JYFSMGOJTGLSPP-ARWYELJZSA-N 2 0 360.420 3.471 20 0 FGADRP C[C@@H]([NH2+][C@@H](C)CC(=O)N(C)Cc1ccccc1Cl)C1CC[NH2+]CC1 ZINC000873221515 735739700 /nfs/dbraw/zinc/73/97/00/735739700.db2.gz VEHJEEFMNDPCAN-LSDHHAIUSA-N 2 0 351.922 3.055 20 0 FGADRP CC[C@@H](C)Oc1cc(C[NH2+]C2(CCOC)CC[NH2+]CC2)ccc1OC ZINC000873225025 735740134 /nfs/dbraw/zinc/74/01/34/735740134.db2.gz QYJLXMXNPBPOOG-MRXNPFEDSA-N 2 0 350.503 3.121 20 0 FGADRP CC(=O)N(c1nc(C[NH2+][C@H]2CCCCC23CC[NH2+]CC3)cs1)C1CC1 ZINC000873232163 735740787 /nfs/dbraw/zinc/74/07/87/735740787.db2.gz ALNDVDIZXOMXOE-KRWDZBQOSA-N 2 0 362.543 3.060 20 0 FGADRP Brc1cc2c(s1)CC[C@H]2[NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873294764 735747704 /nfs/dbraw/zinc/74/77/04/735747704.db2.gz ZMGIQVRTBRZYRR-DGCLKSJQSA-N 2 0 371.344 3.246 20 0 FGADRP C[N@H+](C[C@@H](CC(F)(F)F)NC(=O)OC(C)(C)C)CC1CC[NH+](C)CC1 ZINC000876690560 736131956 /nfs/dbraw/zinc/13/19/56/736131956.db2.gz NBBYZXKMECKNIY-CQSZACIVSA-N 2 0 367.456 3.106 20 0 FGADRP CC[NH+]1CCN(CCC[NH2+]Cc2cc3nc(Cl)ccc3s2)CC1 ZINC000877144953 736192545 /nfs/dbraw/zinc/19/25/45/736192545.db2.gz AMAIILRIHMYATJ-UHFFFAOYSA-N 2 0 352.935 3.067 20 0 FGADRP Nc1c(Cl)cccc1C[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000877190432 736196591 /nfs/dbraw/zinc/19/65/91/736196591.db2.gz FISZERZLTIYBNU-SFHVURJKSA-N 2 0 359.901 3.169 20 0 FGADRP CCO[P@](C)(=O)CC[C@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000877190843 736197177 /nfs/dbraw/zinc/19/71/77/736197177.db2.gz BDTXIBYDWJDCEV-GIIVHJRKSA-N 2 0 368.458 3.066 20 0 FGADRP [NH3+][C@H](C[C@H]1CCCN(C(=O)c2cc3c(s2)CC[NH2+]C3)C1)C1CCCC1 ZINC000877443581 736219854 /nfs/dbraw/zinc/21/98/54/736219854.db2.gz DYPJJASRIJLBIU-RHSMWYFYSA-N 2 0 361.555 3.154 20 0 FGADRP CCO[P@](C)(=O)CC[C@H](C)[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000877620284 736694804 /nfs/dbraw/zinc/69/48/04/736694804.db2.gz FPHTYDOLTIKCDL-FYSMJZIKSA-N 2 0 360.479 3.190 20 0 FGADRP C[NH+](C)C[C@@H]1CN(Cc2cc(F)cc(C(F)(F)F)c2)C[C@H]1C[NH+](C)C ZINC000877669723 736702025 /nfs/dbraw/zinc/70/20/25/736702025.db2.gz WORKAGAXVMAABK-HUUCEWRRSA-N 2 0 361.427 3.016 20 0 FGADRP C[NH+](C)C[C@@H]1CN(C(=O)Nc2cccc3ccsc32)C[C@H]1C[NH+](C)C ZINC000879007398 736944669 /nfs/dbraw/zinc/94/46/69/736944669.db2.gz WYXAZMOYKWIIRP-HZPDHXFCSA-N 2 0 360.527 3.104 20 0 FGADRP C[NH+]1CCN(C2CC[NH+](CCSc3cccc(Cl)c3)CC2)CC1 ZINC000879594528 737012233 /nfs/dbraw/zinc/01/22/33/737012233.db2.gz LSETXCODVLNUHN-UHFFFAOYSA-N 2 0 353.963 3.144 20 0 FGADRP CN(CCCC[NH+]1CCCCC1)C(=O)NC1CCC(C)([NH+](C)C)CC1 ZINC000883802877 737603495 /nfs/dbraw/zinc/60/34/95/737603495.db2.gz OXONBJXTMRQLBN-UHFFFAOYSA-N 2 0 352.567 3.157 20 0 FGADRP C[C@@H]1OC[C@]2(CC[C@@H](C[NH2+]C3CC[NH+](C4CCCCC4)CC3)O2)[C@H]1C ZINC000886336099 739246235 /nfs/dbraw/zinc/24/62/35/739246235.db2.gz MNRMMPRETNTODT-IDPBPBMLSA-N 2 0 350.547 3.346 20 0 FGADRP C[NH+](C)[C@@]1(CN[C@@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)CCSC1 ZINC000886536499 739265544 /nfs/dbraw/zinc/26/55/44/739265544.db2.gz IYGUISALVYFKRI-JSXRDJHFSA-N 2 0 359.583 3.066 20 0 FGADRP O[C@@H]1[C@@H]([NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)CCCC1(F)F ZINC000886626486 739277443 /nfs/dbraw/zinc/27/74/43/739277443.db2.gz CQCXRLYSFDHKHG-XCDZQEORSA-N 2 0 350.453 3.178 20 0 FGADRP CCC1([NH+]2CCC2)CC[NH+](C[C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000886710807 739288914 /nfs/dbraw/zinc/28/89/14/739288914.db2.gz GNSNJSPCZRETDQ-QGZVFWFLSA-N 2 0 351.535 3.194 20 0 FGADRP CSCc1n[nH]c(C[NH2+]C2CCC([N@H+](C)Cc3ccccc3)CC2)n1 ZINC000886757262 739292283 /nfs/dbraw/zinc/29/22/83/739292283.db2.gz AYFGANPFNXJTHT-UHFFFAOYSA-N 2 0 359.543 3.201 20 0 FGADRP FC(F)(F)SCC[NH+]1CCC(c2cc(C3CC[NH2+]CC3)[nH]n2)CC1 ZINC000886841711 739311036 /nfs/dbraw/zinc/31/10/36/739311036.db2.gz SVFVDEQBIHSQER-UHFFFAOYSA-N 2 0 362.465 3.309 20 0 FGADRP CN(CCCCCC[NH3+])C(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000891597155 739919525 /nfs/dbraw/zinc/91/95/25/739919525.db2.gz LBLIWNYUTQRJRG-FUHWJXTLSA-N 2 0 366.575 3.292 20 0 FGADRP CCOC(=O)c1ncc(C[NH2+]CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)s1 ZINC000892587563 740020005 /nfs/dbraw/zinc/02/00/05/740020005.db2.gz AJUOFLJQCUEISQ-GASCZTMLSA-N 2 0 353.532 3.168 20 0 FGADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)C[C@@H]1C(F)(F)F ZINC000892606867 740022494 /nfs/dbraw/zinc/02/24/94/740022494.db2.gz FTWJKJWMZKLGKC-NPJQDHAYSA-N 2 0 362.436 3.113 20 0 FGADRP O=S1CCC([NH2+]CC2CC[NH+](Cc3ccccc3Cl)CC2)CC1 ZINC000892905177 740056245 /nfs/dbraw/zinc/05/62/45/740056245.db2.gz JBYIPHWNGFDKEZ-UHFFFAOYSA-N 2 0 354.947 3.053 20 0 FGADRP CC1CC[NH+](C2CCC([NH2+][C@@H]3CCC4(C[C@H]3F)OCCO4)CC2)CC1 ZINC000893187655 742121395 /nfs/dbraw/zinc/12/13/95/742121395.db2.gz SKXRLBQKNJZYLI-CSODTCANSA-N 2 0 354.510 3.253 20 0 FGADRP CN(CC(C)(C)C[NH+](C)C)C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000893397794 742149227 /nfs/dbraw/zinc/14/92/27/742149227.db2.gz XYBAHWVBIRQYTF-UHFFFAOYSA-N 2 0 352.567 3.013 20 0 FGADRP C[NH+]1CCC(N2CCC([NH2+]Cc3cc4c(cccc4O)s3)CC2)CC1 ZINC000894210643 742253503 /nfs/dbraw/zinc/25/35/03/742253503.db2.gz FFXMFNAKJNUIJE-UHFFFAOYSA-N 2 0 359.539 3.255 20 0 FGADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+]CC[C@@H]2CCC[N@H+](C)C2)C[C@H]1C(F)(F)F ZINC000894858413 742343386 /nfs/dbraw/zinc/34/33/86/742343386.db2.gz FPRDFLOVJZMSEK-CAOSSQGBSA-N 2 0 364.452 3.218 20 0 FGADRP Cn1c(Cl)cnc1C[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000898520401 742804481 /nfs/dbraw/zinc/80/44/81/742804481.db2.gz XVBCAYWAYTVRHX-FGTMMUONSA-N 2 0 358.917 3.464 20 0 FGADRP O=C(NCC1CC[NH+](Cc2cccs2)CC1)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC000900435547 743112563 /nfs/dbraw/zinc/11/25/63/743112563.db2.gz PKNBIYCNCFPYPY-MJGOQNOKSA-N 2 0 361.555 3.093 20 0 FGADRP [NH3+]CCCC[C@H]([NH2+]C[C@H]1COC2(CCCC2)O1)c1ccc(F)cc1F ZINC000902368186 743737583 /nfs/dbraw/zinc/73/75/83/743737583.db2.gz FBTVGOQJXZYIQU-YJBOKZPZSA-N 2 0 354.441 3.410 20 0 FGADRP C[C@H](C[NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1)c1ccc(Br)cc1 ZINC000902428568 743742724 /nfs/dbraw/zinc/74/27/24/743742724.db2.gz FSIGKJXTSYOSAF-BNEJOLLZSA-N 2 0 367.331 3.299 20 0 FGADRP Clc1cc(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)cc2c1OCCO2 ZINC000903082193 743802856 /nfs/dbraw/zinc/80/28/56/743802856.db2.gz QYYXNTNMJGQNLY-ZXFUBFMLSA-N 2 0 362.901 3.401 20 0 FGADRP C[C@@H]([NH2+]CCOC1CCSCC1)c1cccc(OCC[NH+](C)C)c1 ZINC000903444715 743852291 /nfs/dbraw/zinc/85/22/91/743852291.db2.gz QLHXVKXEEZMLLJ-MRXNPFEDSA-N 2 0 352.544 3.190 20 0 FGADRP C[N@@H+](Cc1cc(Br)cs1)C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903721615 743879359 /nfs/dbraw/zinc/87/93/59/743879359.db2.gz BQMLXECXMUSYSJ-CYBMUJFWSA-N 2 0 359.333 3.101 20 0 FGADRP Clc1ccccc1C[C@H]1CCC[N@@H+]1Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903885666 743892252 /nfs/dbraw/zinc/89/22/52/743892252.db2.gz IOTJOYQRTMCQLO-IAGOWNOFSA-N 2 0 359.905 3.063 20 0 FGADRP Cc1nc(C(C)C)sc1[C@@H](C)[N@H+](C)C[C@H](C[NH3+])Cc1cnn(C)c1C ZINC000903897751 743893424 /nfs/dbraw/zinc/89/34/24/743893424.db2.gz JKOOSYAKHUZIDN-CVEARBPZSA-N 2 0 363.575 3.427 20 0 FGADRP FC(F)Oc1cccc([C@@H]2C[N@H+](CC3C[C@H]4CC[C@@H](C3)[NH2+]4)CCO2)c1 ZINC000903900104 743894195 /nfs/dbraw/zinc/89/41/95/743894195.db2.gz ZXVWUVZKCZELLM-NZZOQPFGSA-N 2 0 352.425 3.192 20 0 FGADRP CC(=O)N(c1nc(CN2CC[C@@H](CC[NH3+])C2)cs1)c1ccc(F)cc1 ZINC000904406183 743952824 /nfs/dbraw/zinc/95/28/24/743952824.db2.gz SYUCVGMUFUJOAS-CQSZACIVSA-N 2 0 362.474 3.138 20 0 FGADRP Cc1ccc(C[N@H+]2CC[C@H](CN(C)C(=O)CC[NH2+]C(C)(C)C)C2)s1 ZINC000935884005 761963768 /nfs/dbraw/zinc/96/37/68/761963768.db2.gz ZOOGIMNWJHILBG-MRXNPFEDSA-N 2 0 351.560 3.115 20 0 FGADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[NH+](Cc3ccsc3)CC2(C)C)CC[N@@H+]1C ZINC000940757147 762159766 /nfs/dbraw/zinc/15/97/66/762159766.db2.gz TUUHWZAQFWQOPT-KSZLIROESA-N 2 0 363.571 3.195 20 0 FGADRP CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]C/C=C\c1ccc(F)c(F)c1)C2 ZINC000922387730 758909216 /nfs/dbraw/zinc/90/92/16/758909216.db2.gz AKEFHBFQDJDJNI-YXYQLMTNSA-N 2 0 350.453 3.047 20 0 FGADRP CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]Cc3cccc(O)c3Cl)C2)[C@@H]1C(C)C ZINC000922392794 758912664 /nfs/dbraw/zinc/91/26/64/758912664.db2.gz HFZITNCXAWMMDX-SKWUIDRYSA-N 2 0 352.906 3.005 20 0 FGADRP CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]Cc3ccnc(Cl)c3Cl)C2)[C@@H]1C(C)C ZINC000922395632 758913826 /nfs/dbraw/zinc/91/38/26/758913826.db2.gz XUCSLZOVPGLCDX-AHEZYBDSSA-N 2 0 372.340 3.348 20 0 FGADRP [NH3+]C[C@H]1CC2(CO1)CC[NH+](Cc1coc(-c3ccc(Cl)cc3)n1)CC2 ZINC000923455332 759121511 /nfs/dbraw/zinc/12/15/11/759121511.db2.gz SPKIUILVQGPESF-QGZVFWFLSA-N 2 0 361.873 3.325 20 0 FGADRP COc1ccc(-c2nc(C[N@@H+]3CC[C@@H](C[NH3+])[C@@H](C)C3)cs2)cc1OC ZINC000923495280 759132257 /nfs/dbraw/zinc/13/22/57/759132257.db2.gz BECTZDUBNIQSOU-ZFWWWQNUSA-N 2 0 361.511 3.244 20 0 FGADRP Cc1nc(Cc2ccccc2)sc1[C@@H](C)[NH2+]CCN1CCC([NH3+])CC1 ZINC000925812206 759549403 /nfs/dbraw/zinc/54/94/03/759549403.db2.gz VPSUPTOXOBZRDA-OAHLLOKOSA-N 2 0 358.555 3.116 20 0 FGADRP O=C1O[C@H](C[NH2+][C@H]2CC[C@@H](c3ccc(Cl)cc3)C2)CC12CC[NH2+]CC2 ZINC000925849251 759557412 /nfs/dbraw/zinc/55/74/12/759557412.db2.gz NPARYMOKAZIRGV-NJAFHUGGSA-N 2 0 362.901 3.251 20 0 FGADRP C[C@@H]([NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1cc2cc(Cl)ccc2o1 ZINC000925857555 759561547 /nfs/dbraw/zinc/56/15/47/759561547.db2.gz PNRZWJBFUWWLGX-IUODEOHRSA-N 2 0 362.857 3.422 20 0 FGADRP CC[C@H]([NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1cc(Cl)ccc1OC ZINC000925857307 759561711 /nfs/dbraw/zinc/56/17/11/759561711.db2.gz ZKAOMRUMUDPKCL-HOCLYGCPSA-N 2 0 366.889 3.075 20 0 FGADRP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1CO)C1(Br)CC1 ZINC000926126901 759658287 /nfs/dbraw/zinc/65/82/87/759658287.db2.gz SOJTXJFLSJGVKA-YOEHRIQHSA-N 2 0 367.331 3.049 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC[C@@H]2CC[C@@H](C(F)(F)F)O2)[C@@H](C)C1 ZINC000926910229 759844961 /nfs/dbraw/zinc/84/49/61/759844961.db2.gz JNSJEPRADFUXSZ-QAETUUGQSA-N 2 0 366.468 3.213 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC[C@@H]2CC[C@@H](C(F)(F)F)O2)[C@H](C)C1 ZINC000926910230 759844990 /nfs/dbraw/zinc/84/49/90/759844990.db2.gz JNSJEPRADFUXSZ-QZWWFDLISA-N 2 0 366.468 3.213 20 0 FGADRP C[N@@H+]1CC[C@H]([NH2+][C@@H]2C[C@H](OC(C)(C)C)C23CCOCC3)[C@@H]2CCC[C@H]21 ZINC000927161233 759910055 /nfs/dbraw/zinc/91/00/55/759910055.db2.gz GNFWXBZLUZAEHX-QTMHVTGLSA-N 2 0 350.547 3.202 20 0 FGADRP C[NH+](C)[C@H](CNC(=O)c1ccc(C[NH+]2CCCCC2)o1)c1cccs1 ZINC000929336948 760364438 /nfs/dbraw/zinc/36/44/38/760364438.db2.gz WTDGIEFWKQLHHS-MRXNPFEDSA-N 2 0 361.511 3.360 20 0 FGADRP CC[NH+](CC)C[C@@H]1CC[N@H+](C[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)C2)C1 ZINC000929747082 760447623 /nfs/dbraw/zinc/44/76/23/760447623.db2.gz ARNVTGDUQOHYQY-SQNIBIBYSA-N 2 0 353.551 3.344 20 0 FGADRP CC[C@@H]1[C@@H](C(=O)N2CCCC[C@H]2C[NH2+]Cc2csc(C)c2)CC[N@@H+]1C ZINC000960007382 762730684 /nfs/dbraw/zinc/73/06/84/762730684.db2.gz FKKPZUNEYOBMJO-GBESFXJTSA-N 2 0 363.571 3.258 20 0 FGADRP C[C@@H]1[C@H](C(=O)N2C[C@H]([NH2+]Cc3ccc(Cl)s3)C(C)(C)C2)CC[N@@H+]1C ZINC000995828433 764970619 /nfs/dbraw/zinc/97/06/19/764970619.db2.gz XZLLSCCOFLQUMF-YUELXQCFSA-N 2 0 369.962 3.068 20 0 FGADRP Cc1cccc(Cl)c1C[NH+]1CCC(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001002850845 765347881 /nfs/dbraw/zinc/34/78/81/765347881.db2.gz BKPZQAXYQBRSRS-NVXWUHKLSA-N 2 0 363.933 3.069 20 0 FGADRP CC[C@@H]1[C@@H](C(=O)N2CCC([C@@H]3CCC[NH+]3C/C=C/Cl)CC2)CC[N@@H+]1C ZINC001004453927 765432874 /nfs/dbraw/zinc/43/28/74/765432874.db2.gz XUKPNMZULFGHTI-VRJNFQLHSA-N 2 0 367.965 3.172 20 0 FGADRP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H](C[NH+](C)Cc3ccsc3)C2)CC[N@@H+]1C ZINC001017132001 765831146 /nfs/dbraw/zinc/83/11/46/765831146.db2.gz HVBFYTIUOZAUSU-NZSAHSFTSA-N 2 0 363.571 3.149 20 0 FGADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+][C@@H](C)c3ccccc3Cl)C2)CC[N@@H+]1C ZINC001022106058 765974063 /nfs/dbraw/zinc/97/40/63/765974063.db2.gz DTWWDKBMTHIKEX-BBHOWBALSA-N 2 0 363.933 3.368 20 0 FGADRP Cc1cc(C[NH+]2CCC[C@@H](CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)c(C)s1 ZINC001023377400 766036711 /nfs/dbraw/zinc/03/67/11/766036711.db2.gz KSFCRDDMFPYXHP-HHXXYDBFSA-N 2 0 363.571 3.033 20 0 FGADRP C[C@@H]1[C@H](C(=O)N2CC[C@H](C[NH+](C)Cc3sccc3Cl)C2)CC[N@@H+]1C ZINC001029741692 766150396 /nfs/dbraw/zinc/15/03/96/766150396.db2.gz AOGPCAKMCBVIGU-RBSFLKMASA-N 2 0 369.962 3.022 20 0 FGADRP C[NH+](C)C[C@@H](NC(=O)CCCC[NH+]1CCCC1)c1ccc(Cl)cc1 ZINC000802383278 724380538 /nfs/dbraw/zinc/38/05/38/724380538.db2.gz NQCIKWBYBAAUCV-GOSISDBHSA-N 2 0 351.922 3.325 20 0 FGADRP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2cn(-c3ccccc3)nc2-c2cccnc2)C1 ZINC000048745037 257344073 /nfs/dbraw/zinc/34/40/73/257344073.db2.gz SAGNUMNEQUCOPT-SFHVURJKSA-N 2 0 361.493 3.366 20 0 FGADRP COc1ccc2c(c1)C[C@@H]([NH2+]C1CCN([C@@H](C)c3ccncc3)CC1)CO2 ZINC000297144802 257383053 /nfs/dbraw/zinc/38/30/53/257383053.db2.gz ZQSZDECXWVNLPE-OXJNMPFZSA-N 2 0 367.493 3.209 20 0 FGADRP C[N@@H+]1CC[C@H](CNc2cc[nH+]cc2C(N)=O)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000302145614 257385330 /nfs/dbraw/zinc/38/53/30/257385330.db2.gz JBVYGVDKPPBAKX-PXAZEXFGSA-N 2 0 362.836 3.078 20 0 FGADRP C[N@@H+]1CCC[C@@H](CNC(=O)NCc2ccc(C[NH3+])cc2)[C@@H]1c1cccs1 ZINC000570839873 505592435 /nfs/dbraw/zinc/59/24/35/505592435.db2.gz PEQUILKREUUNQL-PKOBYXMFSA-N 2 0 372.538 3.089 20 0 FGADRP CCC[N@H+](CC)C[C@@H](C)NC(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000579659279 505595468 /nfs/dbraw/zinc/59/54/68/505595468.db2.gz WSRVDUOBBHCTGL-QZTJIDSGSA-N 2 0 364.534 3.226 20 0 FGADRP C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N2CCC(CC[NH3+])CC2)C1 ZINC000568052823 505603892 /nfs/dbraw/zinc/60/38/92/505603892.db2.gz JMVRNRAUKUNXLY-GOSISDBHSA-N 2 0 372.557 3.189 20 0 FGADRP CCCN(Cc1ccc(C)cc1)C(=O)CN1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000579979254 505656391 /nfs/dbraw/zinc/65/63/91/505656391.db2.gz DFKAJYMEPPVZBP-JOCHJYFZSA-N 2 0 357.542 3.151 20 0 FGADRP [NH3+][C@H](CCC(=O)N1CC[NH2+]C[C@@H]1c1cccc(Cl)c1)c1ccccc1 ZINC000573942174 505657097 /nfs/dbraw/zinc/65/70/97/505657097.db2.gz JFNSXISPGLYRGH-RTBURBONSA-N 2 0 357.885 3.293 20 0 FGADRP C[C@@H]1[C@H](NC(=O)N2CCCC[C@H]2c2ncc[nH]2)CC[N@@H+]1Cc1ccccc1 ZINC000573949758 505658910 /nfs/dbraw/zinc/65/89/10/505658910.db2.gz AUBVZJCXQVVPBR-QRQLOZEOSA-N 2 0 367.497 3.309 20 0 FGADRP C[C@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2)[C@@H]1CCCOC1 ZINC000568302481 505662033 /nfs/dbraw/zinc/66/20/33/505662033.db2.gz CGMOETLUKVLWEA-NNWRFLSQSA-N 2 0 372.553 3.320 20 0 FGADRP O=C(NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)Nc1ccc2c(c1)C[NH2+]C2 ZINC000577081922 505660550 /nfs/dbraw/zinc/66/05/50/505660550.db2.gz HTOZELJPCIRGTR-HNNXBMFYSA-N 2 0 370.522 3.385 20 0 FGADRP O[C@@H](C[NH2+]C1CC[NH+](C2CCC2)CC1)Cc1ccccc1C(F)(F)F ZINC000577098746 505663101 /nfs/dbraw/zinc/66/31/01/505663101.db2.gz HJIBFAJNSHRIPN-QGZVFWFLSA-N 2 0 356.432 3.215 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1csc(C(C)(C)C)n1 ZINC000577105853 505665181 /nfs/dbraw/zinc/66/51/81/505665181.db2.gz WSWHEZQWBQFPFP-QGZVFWFLSA-N 2 0 352.592 3.289 20 0 FGADRP CC[NH+](CC)CC1CC[NH+](CC(=O)N(C)Cc2ccc(Cl)s2)CC1 ZINC000047976628 493768571 /nfs/dbraw/zinc/76/85/71/493768571.db2.gz RFUSYBYRCMAFME-UHFFFAOYSA-N 2 0 371.978 3.414 20 0 FGADRP C[NH+](C)Cc1cccc(NC(=O)NC[C@H](c2ccc(F)cc2)[NH+](C)C)c1 ZINC000048076478 493781553 /nfs/dbraw/zinc/78/15/53/493781553.db2.gz LKMPHYWZXKJKOD-LJQANCHMSA-N 2 0 358.461 3.312 20 0 FGADRP Cc1ccc(CN(CC[NH+](C)C)C(=O)Nc2cccc(C[NH+](C)C)c2)o1 ZINC000048076508 493781565 /nfs/dbraw/zinc/78/15/65/493781565.db2.gz HWFJLGPLIPITSV-UHFFFAOYSA-N 2 0 358.486 3.245 20 0 FGADRP C[NH2+][C@@H](CC(C)(C)C)C(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000571214192 505680826 /nfs/dbraw/zinc/68/08/26/505680826.db2.gz VXQZJVOPKJGEAF-IBGZPJMESA-N 2 0 360.546 3.171 20 0 FGADRP C[NH+](C)CCN(Cc1ccccc1)C(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000068310764 493794514 /nfs/dbraw/zinc/79/45/14/493794514.db2.gz KXSYYFZRVUHUQK-UHFFFAOYSA-N 2 0 365.521 3.486 20 0 FGADRP CC[NH+](CC)CC1CC[NH+](CC(=O)N[C@H]2CCCc3ccccc32)CC1 ZINC000057847056 493808577 /nfs/dbraw/zinc/80/85/77/493808577.db2.gz XHIHNWBJBHIGFY-NRFANRHFSA-N 2 0 357.542 3.234 20 0 FGADRP C[N@H+](CCC(=O)Nc1ccccc1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076110017 493824236 /nfs/dbraw/zinc/82/42/36/493824236.db2.gz HLHRQNPJPRSDJI-HXUWFJFHSA-N 2 0 351.494 3.469 20 0 FGADRP C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)NCCC[NH2+]C2CCCCC2)C1 ZINC000059992959 493911160 /nfs/dbraw/zinc/91/11/60/493911160.db2.gz GKWQHHYEDOTEJD-ROUUACIJSA-N 2 0 366.594 3.355 20 0 FGADRP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@@H+](C)C(C3CC3)C3CC3)CC2)cc1 ZINC000050988622 493940727 /nfs/dbraw/zinc/94/07/27/493940727.db2.gz UYBMZDSFMNBXNP-UHFFFAOYSA-N 2 0 369.553 3.150 20 0 FGADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)NC[C@@H](C)[NH+]1CCC[C@@H](C)C1 ZINC000061868894 493996737 /nfs/dbraw/zinc/99/67/37/493996737.db2.gz ZPHKMPXUDYLLPC-RTBURBONSA-N 2 0 374.573 3.446 20 0 FGADRP O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000069724948 494002336 /nfs/dbraw/zinc/00/23/36/494002336.db2.gz FKOAMBRQEJEQRV-RTBURBONSA-N 2 0 374.529 3.076 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)NC[C@@]2(C)CCC[NH2+]C2)cc1 ZINC000580171378 505694903 /nfs/dbraw/zinc/69/49/03/505694903.db2.gz DAZKVBODRCXTIC-GCJKJVERSA-N 2 0 372.557 3.250 20 0 FGADRP C[C@H]1CCC[C@@](CNC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)([NH+](C)C)C1 ZINC000052497298 494031823 /nfs/dbraw/zinc/03/18/23/494031823.db2.gz LFJRTEOLCDWSAM-MGPUTAFESA-N 2 0 352.567 3.105 20 0 FGADRP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)N[C@@H]3CCC[N@H+](C)C3)cc2)C1 ZINC000052524373 494035592 /nfs/dbraw/zinc/03/55/92/494035592.db2.gz TYXJHKXKVKUNED-DBXWQHBBSA-N 2 0 372.557 3.058 20 0 FGADRP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+](C)[C@@H](C)C(C)(C)C)CC1 ZINC000052557971 494039803 /nfs/dbraw/zinc/03/98/03/494039803.db2.gz JUPPZRSGPBDJPS-SFHVURJKSA-N 2 0 359.558 3.442 20 0 FGADRP C(CC[NH+]1CCCO[C@H]2CCC[C@@H]21)CC[N@@H+]1CCCO[C@@H]2CCC[C@@H]21 ZINC000077316976 494056381 /nfs/dbraw/zinc/05/63/81/494056381.db2.gz LMWCVYULDMBYGC-XSDIEEQYSA-N 2 0 350.547 3.444 20 0 FGADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1cc(Cl)sc1Cl ZINC000052819058 494064801 /nfs/dbraw/zinc/06/48/01/494064801.db2.gz JZEAGKKUJXSIOM-UHFFFAOYSA-N 2 0 366.358 3.401 20 0 FGADRP CCCC[N@H+](C)CC1CC[NH+](Cc2cc(OC)c(O)c(OC)c2)CC1 ZINC000574120247 505697698 /nfs/dbraw/zinc/69/76/98/505697698.db2.gz OBEZQPIMJVVWQO-UHFFFAOYSA-N 2 0 350.503 3.353 20 0 FGADRP CCc1nc2cc(C[NH2+][C@@H]3CCOC[C@@H]3[C@H]3CCC[NH2+]3)ccc2n1C1CC1 ZINC000580182219 505697931 /nfs/dbraw/zinc/69/79/31/505697931.db2.gz WZKPPALJKTZRKD-GUDVDZBRSA-N 2 0 368.525 3.180 20 0 FGADRP C[C@H](CNC(=O)C1CC[NH+](Cc2ccccc2)CC1)[N@@H+]1CCCC[C@@H]1C ZINC000063745929 494083286 /nfs/dbraw/zinc/08/32/86/494083286.db2.gz DPOFQYFIMCXNRY-RBUKOAKNSA-N 2 0 357.542 3.278 20 0 FGADRP CCc1ccc([C@@H](CNC(=O)NCCC[NH2+]C2CCCCC2)[NH+](C)C)cc1 ZINC000071922871 494108220 /nfs/dbraw/zinc/10/82/20/494108220.db2.gz YLXYIOURZSFBAM-OAQYLSRUSA-N 2 0 374.573 3.463 20 0 FGADRP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)CC1 ZINC000085361530 494116673 /nfs/dbraw/zinc/11/66/73/494116673.db2.gz GLUAQZJFASMCKE-MSOLQXFVSA-N 2 0 374.573 3.488 20 0 FGADRP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000085386981 494118037 /nfs/dbraw/zinc/11/80/37/494118037.db2.gz FPBOYYHLSPHNNI-MOPGFXCFSA-N 2 0 364.578 3.157 20 0 FGADRP CC(C)[NH+](CCCNC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1)C(C)C ZINC000072517768 494191077 /nfs/dbraw/zinc/19/10/77/494191077.db2.gz BCGLQWBFTWGJEM-LJQANCHMSA-N 2 0 352.567 3.155 20 0 FGADRP CC(C)[N@H+](C)CC1CCN(C(=O)c2ccc3c(ccn3CCC[NH3+])c2)CC1 ZINC000574153715 505707065 /nfs/dbraw/zinc/70/70/65/505707065.db2.gz MZNKFKHDDDCNOK-UHFFFAOYSA-N 2 0 370.541 3.183 20 0 FGADRP O=C(NCc1ccccc1C[NH+]1CCCCC1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000066176229 494284101 /nfs/dbraw/zinc/28/41/01/494284101.db2.gz XMOTZMZRDLDSOV-NRFANRHFSA-N 2 0 370.541 3.052 20 0 FGADRP Cc1c[nH+]ccc1N1CCC(C(=O)N[C@H](C)C[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000073050642 494313542 /nfs/dbraw/zinc/31/35/42/494313542.db2.gz RCUASYGBVDOSFD-JENIJYKNSA-N 2 0 372.557 3.089 20 0 FGADRP CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+]C2CC[NH+](C(C)(C)C)CC2)cc1 ZINC000089512920 494318891 /nfs/dbraw/zinc/31/88/91/494318891.db2.gz OIFIUISEAKJUJI-OAHLLOKOSA-N 2 0 367.559 3.362 20 0 FGADRP CC(C)C[NH+]1CCC(NC(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000079096902 494403444 /nfs/dbraw/zinc/40/34/44/494403444.db2.gz UZDPUEQGHSWDEX-OAQYLSRUSA-N 2 0 372.557 3.071 20 0 FGADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)NC[C@@H](C(C)C)[NH+]2CCC(C)CC2)C1 ZINC000073651801 494407562 /nfs/dbraw/zinc/40/75/62/494407562.db2.gz BXVOPBWGJKNYBH-UXHICEINSA-N 2 0 366.594 3.116 20 0 FGADRP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000073666607 494410234 /nfs/dbraw/zinc/41/02/34/494410234.db2.gz GKRMFKFRDVLNAP-RTWAWAEBSA-N 2 0 372.557 3.339 20 0 FGADRP C[C@@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)[C@@H](C)c1ccccc1 ZINC000090038800 494432490 /nfs/dbraw/zinc/43/24/90/494432490.db2.gz IEXHNZFLPYVGMJ-QZTJIDSGSA-N 2 0 353.510 3.260 20 0 FGADRP Cc1cccc([C@H](C)[NH2+]Cc2ccc(C(=O)NCC[NH+](C)C)cc2)c1C ZINC000090038869 494432572 /nfs/dbraw/zinc/43/25/72/494432572.db2.gz KUHPDPCKDBUQGY-SFHVURJKSA-N 2 0 353.510 3.446 20 0 FGADRP CC[N@@H+]1CC[C@@H]([NH2+]CCOc2ncc(C(F)(F)F)cc2Cl)[C@H](C)C1 ZINC000090082447 494438409 /nfs/dbraw/zinc/43/84/09/494438409.db2.gz OCGUVPHKZBYZKQ-BXUZGUMPSA-N 2 0 365.827 3.453 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](C)c1cc(C)oc1C ZINC000073900911 494445511 /nfs/dbraw/zinc/44/55/11/494445511.db2.gz ACPQZBWEHKAFJB-WMZOPIPTSA-N 2 0 364.534 3.015 20 0 FGADRP CCCC[NH+]1CCC(NC(=O)N2CC[C@H]([N@H+](C)Cc3ccccc3)C2)CC1 ZINC000073967683 494457879 /nfs/dbraw/zinc/45/78/79/494457879.db2.gz NHXJMEQINSRSJT-NRFANRHFSA-N 2 0 372.557 3.167 20 0 FGADRP C[C@H](CNC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)[N@@H+]1CCc2ccccc2C1 ZINC000045866584 494471752 /nfs/dbraw/zinc/47/17/52/494471752.db2.gz IZZYNTNZEIBENK-MRXNPFEDSA-N 2 0 372.557 3.042 20 0 FGADRP COc1ccc([C@@H](C)[C@H](C)[NH2+]Cc2ccnc(OCC[NH+](C)C)c2)cc1 ZINC000090936995 494504256 /nfs/dbraw/zinc/50/42/56/494504256.db2.gz VIUSFKQZHHDAAZ-IRXDYDNUSA-N 2 0 357.498 3.312 20 0 FGADRP CCc1nc2c(s1)[C@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)CCC2 ZINC000090937484 494504514 /nfs/dbraw/zinc/50/45/14/494504514.db2.gz WQWWUEBNWIGYMQ-OAHLLOKOSA-N 2 0 360.527 3.208 20 0 FGADRP C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000074323161 494519680 /nfs/dbraw/zinc/51/96/80/494519680.db2.gz FRANBFANEKAZFT-FCHUYYIVSA-N 2 0 369.553 3.089 20 0 FGADRP C[C@H](C(=O)NCc1ccc(Cl)cc1)[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000056522447 494519941 /nfs/dbraw/zinc/51/99/41/494519941.db2.gz AOWBSSPKPACACT-OAHLLOKOSA-N 2 0 351.922 3.008 20 0 FGADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NC1CC[NH+](C(C)C)CC1 ZINC000067381917 494527418 /nfs/dbraw/zinc/52/74/18/494527418.db2.gz RBVQBPWTCMDYIC-UHFFFAOYSA-N 2 0 360.546 3.153 20 0 FGADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NCC1([NH+](C)C)CCCC1 ZINC000067381779 494527481 /nfs/dbraw/zinc/52/74/81/494527481.db2.gz OJVUPEDNZBEYCZ-UHFFFAOYSA-N 2 0 360.546 3.154 20 0 FGADRP Cc1nn(-c2cccc(F)c2)cc1C[NH+]1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000580297496 505726257 /nfs/dbraw/zinc/72/62/57/505726257.db2.gz IFJPKXIAFDFQQR-CTNGQTDRSA-N 2 0 372.488 3.038 20 0 FGADRP CC(C)(CNC(=O)Nc1ccn2ccnc2c1)[N@@H+]1CCc2ccccc2C1 ZINC000577446329 505729132 /nfs/dbraw/zinc/72/91/32/505729132.db2.gz VJAZQIRVTHMQAX-UHFFFAOYSA-N 2 0 363.465 3.293 20 0 FGADRP CCCC[N@H+](C)CC1CCN(C(=O)NC2CC[NH+](CCC)CC2)CC1 ZINC000074710139 494578630 /nfs/dbraw/zinc/57/86/30/494578630.db2.gz CDSJGURSKXVMFZ-UHFFFAOYSA-N 2 0 352.567 3.014 20 0 FGADRP O=C(c1cccc(C[NH+]2CCCC2)c1)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000107667875 494580457 /nfs/dbraw/zinc/58/04/57/494580457.db2.gz SGPOEQDIXVVCLX-NRFANRHFSA-N 2 0 355.526 3.373 20 0 FGADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC(C(=O)Nc2cc(Cl)ccc2O)CC1 ZINC000125936298 494580727 /nfs/dbraw/zinc/58/07/27/494580727.db2.gz WYZGPQQMSUBJNN-MRXNPFEDSA-N 2 0 365.905 3.180 20 0 FGADRP C[C@@H](C[NH2+][C@@H](c1ccc(Br)cc1)C1CC1)N1CC[NH+](C)CC1 ZINC000091333354 494582984 /nfs/dbraw/zinc/58/29/84/494582984.db2.gz AGOMZCVHMNNSTP-KBXCAEBGSA-N 2 0 366.347 3.126 20 0 FGADRP CN1CCO[C@@H]([C@@H]([NH2+]CCC2CC[NH+](C)CC2)c2ccc(Cl)cc2)C1 ZINC000131391699 494605228 /nfs/dbraw/zinc/60/52/28/494605228.db2.gz KDGLQKWIMLUKRP-UXHICEINSA-N 2 0 365.949 3.033 20 0 FGADRP C[C@@H](CNC(=O)N(C)[C@H]1CCC[N@H+](Cc2ccccc2)C1)C[NH+]1CCCC1 ZINC000074856588 494625686 /nfs/dbraw/zinc/62/56/86/494625686.db2.gz OAGFPFSDZWMQFI-FPOVZHCZSA-N 2 0 372.557 3.024 20 0 FGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@@H](C)c2ccccc2Br)CC1 ZINC000121166309 494628020 /nfs/dbraw/zinc/62/80/20/494628020.db2.gz DLPBTJDANRXITB-HOTGVXAUSA-N 2 0 368.363 3.373 20 0 FGADRP C[NH+](C)Cc1cccc(CNC(=O)C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000057169609 494664806 /nfs/dbraw/zinc/66/48/06/494664806.db2.gz FGKLSVQCGYYWCU-UHFFFAOYSA-N 2 0 365.521 3.277 20 0 FGADRP [NH3+]CC1CCC([NH2+]C2CCN(Cc3coc(-c4ccccc4)n3)CC2)CC1 ZINC000568617092 505738165 /nfs/dbraw/zinc/73/81/65/505738165.db2.gz DIKMRQJGGWUBIG-UHFFFAOYSA-N 2 0 368.525 3.413 20 0 FGADRP CC[NH+]1CCN(Cc2ccc(C[NH2+][C@@H](C)c3ccc(F)cn3)cc2)CC1 ZINC000092739568 494733686 /nfs/dbraw/zinc/73/36/86/494733686.db2.gz QQSHHFYSALFWOU-KRWDZBQOSA-N 2 0 356.489 3.209 20 0 FGADRP COCCc1nc(C)c([C@H](C)[NH2+]CCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)s1 ZINC000092742010 494736149 /nfs/dbraw/zinc/73/61/49/494736149.db2.gz SDJNEYHWBXSKAA-XHSDSOJGSA-N 2 0 369.575 3.180 20 0 FGADRP C[NH+](C)CCN1CCC([NH2+][C@H]2CCCOc3cc4c(cc32)CCCC4)CC1 ZINC000126520752 494777981 /nfs/dbraw/zinc/77/79/81/494777981.db2.gz HUPOCUOIRLXHGF-QFIPXVFZSA-N 2 0 371.569 3.395 20 0 FGADRP C[NH+]1CCN(Cc2ccc(C[NH2+][C@H]3CCc4cc(F)ccc43)cc2)CC1 ZINC000126648181 494810466 /nfs/dbraw/zinc/81/04/66/494810466.db2.gz ZGUITAGEXJMFDH-QFIPXVFZSA-N 2 0 353.485 3.350 20 0 FGADRP Cc1cc(Cl)c2c(c1)[C@H]([NH2+][C@H](C)CN1CC[NH+](C)CC1)CCCO2 ZINC000126677839 494817208 /nfs/dbraw/zinc/81/72/08/494817208.db2.gz NSNOUSISXBPWLG-CRAIPNDOSA-N 2 0 351.922 3.088 20 0 FGADRP C[NH+]1CCN(Cc2ccc(C[NH2+][C@H]3CCCOc4ccccc43)cc2)CC1 ZINC000126714611 494824717 /nfs/dbraw/zinc/82/47/17/494824717.db2.gz YHMZQNNIWCGWOV-QFIPXVFZSA-N 2 0 365.521 3.438 20 0 FGADRP CCC(CC)[C@H](C[NH2+]C1CCN(C(=O)c2ccco2)CC1)[NH+]1CCCC1 ZINC000132342874 494859742 /nfs/dbraw/zinc/85/97/42/494859742.db2.gz LPDCESLEOSZWLM-IBGZPJMESA-N 2 0 361.530 3.374 20 0 FGADRP CC(C)[C@@H](C[NH2+][C@@H]1CCSc2ccc(F)cc21)N1CC[NH+](C)CC1 ZINC000132388965 494866503 /nfs/dbraw/zinc/86/65/03/494866503.db2.gz UPAQEZLSOGNPQK-QZTJIDSGSA-N 2 0 351.535 3.224 20 0 FGADRP Cc1nc(C(C)C)sc1[C@@H](C)[NH2+]C[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000132434870 494873692 /nfs/dbraw/zinc/87/36/92/494873692.db2.gz RVAPEWKQZYCICP-NVXWUHKLSA-N 2 0 352.592 3.498 20 0 FGADRP Cc1nccn1-c1ccc([C@H](C)[NH2+]C[C@@H](C(C)C)N2CC[NH+](C)CC2)cc1 ZINC000132485534 494881788 /nfs/dbraw/zinc/88/17/88/494881788.db2.gz HUQZLKFXEVEANC-AVRDEDQJSA-N 2 0 369.557 3.103 20 0 FGADRP COC(=O)[C@@H](C)Oc1ccc(C[NH+]2CCC(CCC[NH+](C)C)CC2)cc1 ZINC000093688718 494912329 /nfs/dbraw/zinc/91/23/29/494912329.db2.gz AKZBWZFZOZTFCF-QGZVFWFLSA-N 2 0 362.514 3.181 20 0 FGADRP Cc1cccc(-c2n[nH]cc2C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)c1 ZINC000093735037 494914572 /nfs/dbraw/zinc/91/45/72/494914572.db2.gz PYBFYZCJSGFKMA-UHFFFAOYSA-N 2 0 368.525 3.462 20 0 FGADRP CCCC[N@H+](CC)Cc1cccc(CNC(=O)N2CCC[C@@H](C[NH3+])C2)c1 ZINC000571506615 505749910 /nfs/dbraw/zinc/74/99/10/505749910.db2.gz QEGLKMMEJJPTMK-FQEVSTJZSA-N 2 0 360.546 3.189 20 0 FGADRP CC(=O)Nc1ccc(C[NH+]2CCC(CC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)cc1 ZINC000093844302 494926998 /nfs/dbraw/zinc/92/69/98/494926998.db2.gz KQTSMLVWFRCHGS-ROUUACIJSA-N 2 0 373.541 3.356 20 0 FGADRP CC(C)[N@H+](C)CC(=O)N1CCCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000127389137 494937723 /nfs/dbraw/zinc/93/77/23/494937723.db2.gz PNCOSLBFNDRXTE-UHFFFAOYSA-N 2 0 371.447 3.080 20 0 FGADRP Cc1cc(Cl)cc2c1OCCC[C@@H]2[NH2+][C@H](C)CN1CC[NH+](C)CC1 ZINC000122314149 494956211 /nfs/dbraw/zinc/95/62/11/494956211.db2.gz PITGMUTXLDSUTM-QAPCUYQASA-N 2 0 351.922 3.088 20 0 FGADRP C[C@@H](Oc1ccc(Cl)cc1Cl)[C@H](C)[NH2+]C[C@H](C)N1CC[NH+](C)CC1 ZINC000127563359 494962571 /nfs/dbraw/zinc/96/25/71/494962571.db2.gz RYMIUEFFMZPPAJ-SOUVJXGZSA-N 2 0 374.356 3.375 20 0 FGADRP C[C@H]([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)c1ccc(OC(F)F)cc1 ZINC000133097710 494968677 /nfs/dbraw/zinc/96/86/77/494968677.db2.gz MJCDXIOSRVLDTQ-LSDHHAIUSA-N 2 0 354.441 3.440 20 0 FGADRP C[C@H](C(=O)N1CC[C@@H]([NH+]2CCCC2)C1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000110690528 495000650 /nfs/dbraw/zinc/00/06/50/495000650.db2.gz ORUUHUSPKVFIFQ-DENIHFKCSA-N 2 0 369.553 3.026 20 0 FGADRP C[NH+](C)Cc1ccc(-c2ccccc2C[NH2+]C2CCN(C(N)=O)CC2)cc1 ZINC000133399441 495009403 /nfs/dbraw/zinc/00/94/03/495009403.db2.gz IBLGAHFNDIVYCH-UHFFFAOYSA-N 2 0 366.509 3.048 20 0 FGADRP CCC[N@@H+]1CC[C@H](CNC(=O)N2CCC[NH+](CC3CCCCC3)CC2)C1 ZINC000097175768 495026922 /nfs/dbraw/zinc/02/69/22/495026922.db2.gz IEZBXKQFNDLSPU-HXUWFJFHSA-N 2 0 364.578 3.016 20 0 FGADRP Cc1ccc2nc(CSCC(=O)NC[C@@H]3CCC[N@@H+](C(C)C)C3)cn2c1 ZINC000128005627 495029853 /nfs/dbraw/zinc/02/98/53/495029853.db2.gz YANLXKLXGLLGSV-KRWDZBQOSA-N 2 0 374.554 3.113 20 0 FGADRP CC[NH+](CC)[C@@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000111090115 495038010 /nfs/dbraw/zinc/03/80/10/495038010.db2.gz GSTLMSLOZUJYOX-FCHUYYIVSA-N 2 0 365.521 3.460 20 0 FGADRP COc1ccc2cc([C@H](C)[NH2+]CCC[N@@H+]3CCC[C@H](C(N)=O)C3)ccc2c1 ZINC000128200506 495060097 /nfs/dbraw/zinc/06/00/97/495060097.db2.gz JUMSDFKQGQDZTE-JXFKEZNVSA-N 2 0 369.509 3.086 20 0 FGADRP CC(C)(O)[C@H]1CCC[NH+]1Cc1ccccc1C[N@H+]1CCC[C@@H]1C(C)(C)O ZINC000119002697 495068517 /nfs/dbraw/zinc/06/85/17/495068517.db2.gz GYVFSSBGBALMIN-WOJBJXKFSA-N 2 0 360.542 3.157 20 0 FGADRP Cc1ccc(CC(=O)N2CCN(Cc3ccc(-n4ccnc4)cc3)CC2)cc1 ZINC000101562674 495077297 /nfs/dbraw/zinc/07/72/97/495077297.db2.gz UXEHAHUUWIXOIN-UHFFFAOYSA-N 2 0 374.488 3.068 20 0 FGADRP [NH3+]C[C@H](Cc1ccccc1)[C@@H]1CCCCN1C(=O)C1CC[NH+](C2CC2)CC1 ZINC000577601438 505761770 /nfs/dbraw/zinc/76/17/70/505761770.db2.gz IYBGCRYQTHGJTN-UNMCSNQZSA-N 2 0 369.553 3.060 20 0 FGADRP CC(C)[NH2+]C1CCN(C(=O)NCc2ccccc2C[NH+]2CCCCC2)CC1 ZINC000111808230 495114026 /nfs/dbraw/zinc/11/40/26/495114026.db2.gz HRWWVEYADWPNOB-UHFFFAOYSA-N 2 0 372.557 3.345 20 0 FGADRP CC[NH2+]Cc1cccc(NC(=O)c2ccc(N3CC[NH+](CC)CC3)cc2)c1 ZINC000123419767 495129580 /nfs/dbraw/zinc/12/95/80/495129580.db2.gz TZUJEBZXUVOIPU-UHFFFAOYSA-N 2 0 366.509 3.190 20 0 FGADRP Cc1ccc([C@H](CNC(=O)NC2CCC(C[NH+](C)C)CC2)[NH+](C)C)cc1 ZINC000119318787 495141341 /nfs/dbraw/zinc/14/13/41/495141341.db2.gz PKBKWXCBDDEZDM-UUKMXZOPSA-N 2 0 360.546 3.017 20 0 FGADRP C[C@H]([NH2+]C(C)(C)CNC(=O)N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1)c1ccccc1 ZINC000129062969 495191118 /nfs/dbraw/zinc/19/11/18/495191118.db2.gz JJVCRLMYDHBLJJ-RYRKJORJSA-N 2 0 358.530 3.040 20 0 FGADRP C[N@@H+](Cc1ccccc1)CC1CC[NH+](CC(=O)NC(C2CC2)C2CC2)CC1 ZINC000103143024 495198156 /nfs/dbraw/zinc/19/81/56/495198156.db2.gz NODXYKHHCBPEJU-UHFFFAOYSA-N 2 0 369.553 3.135 20 0 FGADRP C[C@@H]([NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1)c1ccc(F)c(F)c1 ZINC000112542248 495203258 /nfs/dbraw/zinc/20/32/58/495203258.db2.gz APNKSKYBUJDAEP-CQSZACIVSA-N 2 0 361.436 3.107 20 0 FGADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)c2oc3ccccc3c2C[NH+](C)C)C1 ZINC000119656093 495210512 /nfs/dbraw/zinc/21/05/12/495210512.db2.gz KXGLQYVMIOAOGD-MRXNPFEDSA-N 2 0 357.498 3.202 20 0 FGADRP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+]1CCCC(C)(C)C1 ZINC000112701620 495226112 /nfs/dbraw/zinc/22/61/12/495226112.db2.gz XJKBKNKTLIAXJW-SFHVURJKSA-N 2 0 357.542 3.278 20 0 FGADRP O=C(c1ccc2c[nH+]cn2c1)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000574418334 505769115 /nfs/dbraw/zinc/76/91/15/505769115.db2.gz UJEJKMZYOXAWIM-QHCPKHFHSA-N 2 0 374.488 3.463 20 0 FGADRP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)N1CCC([NH2+]C2CCCC2)CC1 ZINC000129443398 495245495 /nfs/dbraw/zinc/24/54/95/495245495.db2.gz NGAUTFLNDVOVQC-SFHVURJKSA-N 2 0 364.578 3.347 20 0 FGADRP C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)N3CC[C@H](C[NH+](C)C)C3)cc2)C1 ZINC000129459256 495247980 /nfs/dbraw/zinc/24/79/80/495247980.db2.gz MEBFNELFJLEVQT-WIYYLYMNSA-N 2 0 372.557 3.012 20 0 FGADRP C[C@H]1CCN(C(=O)c2oc3ccccc3c2C[NH+](C)C)C[C@@H]1n1ccnc1 ZINC000124290504 495263885 /nfs/dbraw/zinc/26/38/85/495263885.db2.gz HCSXYLNAXGBGSW-YJBOKZPZSA-N 2 0 366.465 3.414 20 0 FGADRP CC(C)[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[NH+]1CCCCC1 ZINC000104199208 495271234 /nfs/dbraw/zinc/27/12/34/495271234.db2.gz GXTBCPHFSVFMRX-OAQYLSRUSA-N 2 0 357.542 3.278 20 0 FGADRP C[C@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)c1ccc(Br)s1 ZINC000124366554 495276658 /nfs/dbraw/zinc/27/66/58/495276658.db2.gz XQILGRLPBKHTGL-ZDUSSCGKSA-N 2 0 374.392 3.435 20 0 FGADRP C[C@@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)c1ccccc1OC(F)F ZINC000124404430 495281577 /nfs/dbraw/zinc/28/15/77/495281577.db2.gz AAORSAMZTCCMEV-OAHLLOKOSA-N 2 0 355.473 3.212 20 0 FGADRP O=C([C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)N1CCC([NH+]2CCCC2)CC1 ZINC000104405287 495281875 /nfs/dbraw/zinc/28/18/75/495281875.db2.gz KDGKYYPVBLXXAL-LJQANCHMSA-N 2 0 373.516 3.125 20 0 FGADRP CC[C@@H]([NH2+]Cc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)c1cnn(C)c1 ZINC000124573712 495309463 /nfs/dbraw/zinc/30/94/63/495309463.db2.gz IQRUSPATZPSMCA-LLGFUMIMSA-N 2 0 356.514 3.270 20 0 FGADRP C[NH+](C)CCC1CC[NH+](CCCCCn2nnc(-c3ccccc3)n2)CC1 ZINC000104947467 495318219 /nfs/dbraw/zinc/31/82/19/495318219.db2.gz WVQBWAQSMKREHN-UHFFFAOYSA-N 2 0 370.545 3.174 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1)c1ccccc1 ZINC000105083440 495334707 /nfs/dbraw/zinc/33/47/07/495334707.db2.gz CJYMSAMDDZAUPQ-FPOVZHCZSA-N 2 0 374.573 3.489 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)NC[C@H]1CCC[N@H+](CC)C1)c1ccccc1 ZINC000105083416 495335479 /nfs/dbraw/zinc/33/54/79/495335479.db2.gz FWMMIAQXOBOFDK-QUCCMNQESA-N 2 0 360.546 3.101 20 0 FGADRP Cc1ccsc1C[NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000130178563 495352867 /nfs/dbraw/zinc/35/28/67/495352867.db2.gz FBWWEGHIAYKHGX-UHFFFAOYSA-N 2 0 357.523 3.172 20 0 FGADRP CN(C)[C@H](CNC(=O)Nc1cccc(-c2nccn2C)c1)c1ccco1 ZINC000105342947 495356934 /nfs/dbraw/zinc/35/69/34/495356934.db2.gz HWBILXDYWZWSNY-MRXNPFEDSA-N 2 0 353.426 3.105 20 0 FGADRP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@@H]2CCc2ccccc2)CC1 ZINC000114455410 495377016 /nfs/dbraw/zinc/37/70/16/495377016.db2.gz HVYAMUWBXHWJAZ-OAQYLSRUSA-N 2 0 357.542 3.073 20 0 FGADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000125013539 495378237 /nfs/dbraw/zinc/37/82/37/495378237.db2.gz PLKWRJZXMWBSIQ-UHFFFAOYSA-N 2 0 374.573 3.400 20 0 FGADRP Cc1nn(C)c(C)c1C[C@H](C)[NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000120571531 495408102 /nfs/dbraw/zinc/40/81/02/495408102.db2.gz AVMVGPUNFZFDMW-HOTGVXAUSA-N 2 0 358.530 3.259 20 0 FGADRP Cc1cccc(N2CC[NH+](CCCC[NH2+][C@@H]3C[C@H](C)[N@@H+](C)C[C@@H]3C)CC2)c1 ZINC000125328071 495427152 /nfs/dbraw/zinc/42/71/52/495427152.db2.gz KBGVYCRPIOJRKW-QNWVGRARSA-N 3 0 372.601 3.216 20 0 FGADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)CCCOc2ccccc2C(N)=O)C1 ZINC000138411427 495461506 /nfs/dbraw/zinc/46/15/06/495461506.db2.gz ZHJDCQIUYJCQJK-ZWKOTPCHSA-N 2 0 361.530 3.043 20 0 FGADRP C[C@@H](C[NH2+][C@@H](C)c1ccc(F)c(Br)c1)CN1CC[NH+](C)CC1 ZINC000120826200 495466388 /nfs/dbraw/zinc/46/63/88/495466388.db2.gz BTUZOECFSONCKU-KBPBESRZSA-N 2 0 372.326 3.122 20 0 FGADRP CC[NH+]1CCN(CCC[NH2+][C@H](C)c2ccc(Br)c(F)c2)CC1 ZINC000131127437 495496074 /nfs/dbraw/zinc/49/60/74/495496074.db2.gz QMKAPPKRXAPZMM-CQSZACIVSA-N 2 0 372.326 3.266 20 0 FGADRP Cc1nc(C(C)(C)C)sc1[C@@H](C)[NH2+]C[C@@H](C)CN1CC[NH+](C)CC1 ZINC000121001505 495500558 /nfs/dbraw/zinc/50/05/58/495500558.db2.gz PTMBQKGASDYVJL-HUUCEWRRSA-N 2 0 352.592 3.283 20 0 FGADRP CC[N@H+](C)Cc1cccc(CNC(=O)N2CCC(C[NH+]3CCCC3)CC2)c1 ZINC000141518610 495507283 /nfs/dbraw/zinc/50/72/83/495507283.db2.gz WFLCIFAOCIYTCY-UHFFFAOYSA-N 2 0 372.557 3.156 20 0 FGADRP C[C@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)c1ccc(NS(C)(=O)=O)cc1 ZINC000125917075 495518144 /nfs/dbraw/zinc/51/81/44/495518144.db2.gz ODLDNMMEBKGQFL-YOEHRIQHSA-N 2 0 355.548 3.075 20 0 FGADRP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3cc(-c4ccc(Cl)cc4)no3)C2)CC1 ZINC000107370028 495526051 /nfs/dbraw/zinc/52/60/51/495526051.db2.gz XCNYLYDJIKYVOU-GOSISDBHSA-N 2 0 374.916 3.207 20 0 FGADRP C[C@@H](NC(=O)NCC(C)(C)[NH+]1CCCCC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182362688 495533542 /nfs/dbraw/zinc/53/35/42/495533542.db2.gz NPDFUKVYEODCFC-QZTJIDSGSA-N 2 0 364.578 3.203 20 0 FGADRP CC[N@H+](C)Cc1cccc(C[NH2+][C@H](C)CS(=O)(=O)c2ccc(C)cc2)c1 ZINC000185352605 495544416 /nfs/dbraw/zinc/54/44/16/495544416.db2.gz RPPYETKRRLBZMQ-GOSISDBHSA-N 2 0 374.550 3.399 20 0 FGADRP Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@H]2[NH2+]CC2CC[NH+](C)CC2)cc1 ZINC000185359092 495546682 /nfs/dbraw/zinc/54/66/82/495546682.db2.gz NBJNWJGIJVMYGT-WOJBJXKFSA-N 2 0 364.555 3.011 20 0 FGADRP Cc1ccc(Cl)c(OC[C@@H](O)CN2CCC[C@H]([NH+]3CCCC3)CC2)c1 ZINC000182403918 495550479 /nfs/dbraw/zinc/55/04/79/495550479.db2.gz AWSMYMWUEPEDNS-ROUUACIJSA-N 2 0 366.933 3.338 20 0 FGADRP CC[NH+]1CCN(CCC[NH2+][C@H]2CCSc3ccc(Cl)cc32)CC1 ZINC000154266259 495561644 /nfs/dbraw/zinc/56/16/44/495561644.db2.gz VJEZWKSUBZTPMA-KRWDZBQOSA-N 2 0 353.963 3.494 20 0 FGADRP CCCC[NH+]1CCC(NC(=O)NCCCC[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000158666550 495562062 /nfs/dbraw/zinc/56/20/62/495562062.db2.gz MFABSYLYHKSFTH-RTBURBONSA-N 2 0 366.594 3.308 20 0 FGADRP CC[NH+]1CCN(CCC[NH2+][C@@H]2CCc3ccc(OC(F)(F)F)cc32)CC1 ZINC000154330522 495583172 /nfs/dbraw/zinc/58/31/72/495583172.db2.gz DVQCFSUZSFSUBQ-GOSISDBHSA-N 2 0 371.447 3.190 20 0 FGADRP CCC[NH+]1CCC(N(C)C(=O)NCCC[N@H+](C)Cc2ccccc2)CC1 ZINC000170757218 495592214 /nfs/dbraw/zinc/59/22/14/495592214.db2.gz VSWYREDTNPBSLF-UHFFFAOYSA-N 2 0 360.546 3.024 20 0 FGADRP CCC[NH+]1CCC(N(C)C(=O)NC[C@H](c2ccc(CC)cc2)[NH+](C)C)CC1 ZINC000170756372 495592309 /nfs/dbraw/zinc/59/23/09/495592309.db2.gz KJHQPBPMMOUPAR-OAQYLSRUSA-N 2 0 374.573 3.368 20 0 FGADRP CCOC[C@H]1CC[NH+](Cc2ccccc2C[N@H+]2CC[C@H](COCC)C2)C1 ZINC000176346417 495612663 /nfs/dbraw/zinc/61/26/63/495612663.db2.gz QSXCIBPJCGFDOZ-PMACEKPBSA-N 2 0 360.542 3.403 20 0 FGADRP CC[C@H]1[C@@H](C)CC[N@@H+]1CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000185674115 495673985 /nfs/dbraw/zinc/67/39/85/495673985.db2.gz NHUFSAYUFYLADB-RXVVDRJESA-N 2 0 357.542 3.196 20 0 FGADRP Cc1ccc2c(c1)[C@@H]([NH2+]Cc1ccnc(N3CC[NH+](C)CC3)c1)CCCO2 ZINC000159168690 495675294 /nfs/dbraw/zinc/67/52/94/495675294.db2.gz JVXDXEAXQSTQEH-FQEVSTJZSA-N 2 0 366.509 3.145 20 0 FGADRP CC[NH+](CC)CCCC1CC[NH+](CC(=O)NCc2cccs2)CC1 ZINC000182738700 495684274 /nfs/dbraw/zinc/68/42/74/495684274.db2.gz UXAJVXHOENSPRO-UHFFFAOYSA-N 2 0 351.560 3.198 20 0 FGADRP C[C@@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1ccccc1Br ZINC000150959046 495694306 /nfs/dbraw/zinc/69/43/06/495694306.db2.gz ZZSRXNHCSPILIT-CQSZACIVSA-N 2 0 354.336 3.126 20 0 FGADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000176572431 495704091 /nfs/dbraw/zinc/70/40/91/495704091.db2.gz LRRPIEXLHOLGKQ-UXHICEINSA-N 2 0 362.562 3.052 20 0 FGADRP C[C@H](C[NH+]1CCCCCC1)NC(=O)N[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185789557 495726558 /nfs/dbraw/zinc/72/65/58/495726558.db2.gz JUJSAMATHLLCPU-GUDVDZBRSA-N 2 0 364.578 3.203 20 0 FGADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000176631898 495727460 /nfs/dbraw/zinc/72/74/60/495727460.db2.gz UBLRPWORVLNPFD-PMACEKPBSA-N 2 0 360.546 3.153 20 0 FGADRP CC(C)[N@H+](C)CCNC(=O)c1cccc(C[NH+](C)Cc2ccccc2)c1 ZINC000171137735 495738330 /nfs/dbraw/zinc/73/83/30/495738330.db2.gz LZXZCQUVZSRCOG-UHFFFAOYSA-N 2 0 353.510 3.389 20 0 FGADRP CCS(=O)(=O)C[C@@H](C)NCC1([NH2+][C@H](C)c2ccccc2)CCCC1 ZINC000183001695 495792625 /nfs/dbraw/zinc/79/26/25/495792625.db2.gz JDENJDFXZFCWQM-IAGOWNOFSA-N 2 0 352.544 3.063 20 0 FGADRP C[NH2+]Cc1ccc(NC(=O)c2ccc(C[NH+]3CCSCC3)cc2)cc1 ZINC000577853330 505805371 /nfs/dbraw/zinc/80/53/71/505805371.db2.gz FHTVKOAJINDGQP-UHFFFAOYSA-N 2 0 355.507 3.207 20 0 FGADRP CC[NH+](CC)C[C@@H]1CC[N@H+](CCC(=O)NCc2ccccc2Cl)C1 ZINC000174220118 495869261 /nfs/dbraw/zinc/86/92/61/495869261.db2.gz RJIQDHMBSZSHRO-INIZCTEOSA-N 2 0 351.922 3.010 20 0 FGADRP CC[NH+]1CCN([C@H]2CC[N@H+](CCSc3ccc(Cl)cc3)C2)CC1 ZINC000171529861 495916668 /nfs/dbraw/zinc/91/66/68/495916668.db2.gz LUIJQBUJQINCNB-KRWDZBQOSA-N 2 0 353.963 3.144 20 0 FGADRP C[C@@H]1C[N@@H+](CCC2CC[NH+](Cc3cc(O)cc(F)c3)CC2)C[C@H](C)O1 ZINC000186259597 495917611 /nfs/dbraw/zinc/91/76/11/495917611.db2.gz BPIWCKJMEOWPSC-IYBDPMFKSA-N 2 0 350.478 3.243 20 0 FGADRP CC(C)[C@@H](CNC(=O)NCc1ccccc1C[NH+]1CCCC1)[NH+]1CCCC1 ZINC000171598467 495943695 /nfs/dbraw/zinc/94/36/95/495943695.db2.gz LXLYHQYSSZJTAQ-OAQYLSRUSA-N 2 0 372.557 3.202 20 0 FGADRP CC[N@@H+]1CC[C@@H]([NH2+]CCc2ccc(OCC[NH+]3CCCC3)cc2)[C@H](C)C1 ZINC000183495939 496008099 /nfs/dbraw/zinc/00/80/99/496008099.db2.gz ZFRZBGXBWPISGO-DENIHFKCSA-N 3 0 359.558 3.024 20 0 FGADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000183498982 496010859 /nfs/dbraw/zinc/01/08/59/496010859.db2.gz QGPDSEIUNZTAOV-DXIQSLLYSA-N 3 0 359.558 3.022 20 0 FGADRP Cc1ccc(NC(=O)CC[NH2+][C@H]2CCN([C@H](C)c3ccccc3)C2)nc1 ZINC000574625658 505817873 /nfs/dbraw/zinc/81/78/73/505817873.db2.gz RVEFNQBWWTWXFP-MJGOQNOKSA-N 2 0 352.482 3.144 20 0 FGADRP CCC[NH+]1CCC(C[NH2+][C@@H](CN2CCOCC2)c2ccccc2C)CC1 ZINC000183555054 496029022 /nfs/dbraw/zinc/02/90/22/496029022.db2.gz AYYLVFJVBFJUNV-QFIPXVFZSA-N 2 0 359.558 3.080 20 0 FGADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@H](C)c1ccc(Br)cc1 ZINC000186583815 496057087 /nfs/dbraw/zinc/05/70/87/496057087.db2.gz LIXOJHJBLYOAOU-HUUCEWRRSA-N 2 0 354.336 3.126 20 0 FGADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1ccc(F)cc1OC(F)F ZINC000186586296 496057778 /nfs/dbraw/zinc/05/77/78/496057778.db2.gz UWNXSKYUWIAZFM-KGLIPLIRSA-N 2 0 359.436 3.104 20 0 FGADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1ccc(Br)s1 ZINC000186596236 496064575 /nfs/dbraw/zinc/06/45/75/496064575.db2.gz IPLHMCOAGBGECX-STQMWFEESA-N 2 0 360.365 3.187 20 0 FGADRP C[C@@H](C(=O)Nc1ccccc1)[NH+]1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000177483244 496079560 /nfs/dbraw/zinc/07/95/60/496079560.db2.gz YVIRHWMHJLYMJE-QRVBRYPASA-N 2 0 373.541 3.225 20 0 FGADRP Cc1ccccc1C[NH+]1CCC(NC(=O)C[NH+]2C[C@H]3CCCC[C@@H]3C2)CC1 ZINC000177521674 496096153 /nfs/dbraw/zinc/09/61/53/496096153.db2.gz YRYGEGXKHJGBOU-NHCUHLMSSA-N 2 0 369.553 3.198 20 0 FGADRP CC[C@H](C(=O)N1CCC(C[NH+](CC)CC)CC1)[N@H+](C)Cc1ccccc1 ZINC000574645617 505823039 /nfs/dbraw/zinc/82/30/39/505823039.db2.gz ANIDINQSTCLJHO-OAQYLSRUSA-N 2 0 359.558 3.477 20 0 FGADRP COc1ccc(C[NH2+]Cc2ccccc2N(C)C2CC[NH+](C)CC2)cc1O ZINC000177572662 496117189 /nfs/dbraw/zinc/11/71/89/496117189.db2.gz NVMCYJLRBAWQAD-UHFFFAOYSA-N 2 0 369.509 3.221 20 0 FGADRP C[NH+](Cc1cccc(C[N@H+](C)CC2CCOCC2)c1)CC1CCOCC1 ZINC000156082158 496152131 /nfs/dbraw/zinc/15/21/31/496152131.db2.gz XCPIOJISVZJFKT-UHFFFAOYSA-N 2 0 360.542 3.403 20 0 FGADRP COc1ccc([C@@H](C)[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)cc1Cn1cccn1 ZINC000152459073 496158864 /nfs/dbraw/zinc/15/88/64/496158864.db2.gz ICJUMWWAKYGFRW-SJORKVTESA-N 2 0 354.498 3.075 20 0 FGADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)c1cccc(C[NH+](C)C)c1 ZINC000156163281 496174398 /nfs/dbraw/zinc/17/43/98/496174398.db2.gz ZAFWTKDULAFFAV-UHFFFAOYSA-N 2 0 353.510 3.472 20 0 FGADRP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000172171558 496194065 /nfs/dbraw/zinc/19/40/65/496194065.db2.gz QUYHAVQSCOOVKU-IBGZPJMESA-N 2 0 372.557 3.387 20 0 FGADRP CC(=O)NC1CCC([NH2+]Cc2ccccc2C[N@H+](C)Cc2ccco2)CC1 ZINC000161545130 496196264 /nfs/dbraw/zinc/19/62/64/496196264.db2.gz WELUMRVFRMHUTF-UHFFFAOYSA-N 2 0 369.509 3.449 20 0 FGADRP CC(C)C[NH+]1CCC(NC(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000172199748 496206496 /nfs/dbraw/zinc/20/64/96/496206496.db2.gz VKNRJGUOKFWSGT-NRFANRHFSA-N 2 0 372.557 3.071 20 0 FGADRP O=C(NCCCCC[NH+]1CCCCC1)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000161626395 496210061 /nfs/dbraw/zinc/21/00/61/496210061.db2.gz CCPZKLXVSZECAQ-FQEVSTJZSA-N 2 0 364.578 3.303 20 0 FGADRP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000152735367 496240172 /nfs/dbraw/zinc/24/01/72/496240172.db2.gz VWYNYDAMCGLUAU-MHJFOBGBSA-N 2 0 364.578 3.011 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC000156444511 496246476 /nfs/dbraw/zinc/24/64/76/496246476.db2.gz NVXVBAHMTOABGP-QUCCMNQESA-N 2 0 357.542 3.475 20 0 FGADRP C[C@H]([NH2+]CCc1cn2c(n1)CCCC2)c1cccc(OCC[NH+](C)C)c1 ZINC000152760576 496248674 /nfs/dbraw/zinc/24/86/74/496248674.db2.gz KWLNVSUZIAMYFO-KRWDZBQOSA-N 2 0 356.514 3.053 20 0 FGADRP C[C@H]1CCC[N@H+](CCCCNC(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)C1 ZINC000156474367 496256048 /nfs/dbraw/zinc/25/60/48/496256048.db2.gz VXNKCEYNMOPAOS-PMACEKPBSA-N 2 0 364.578 3.158 20 0 FGADRP C[C@@H]([NH2+]CCc1cn2c(n1)CCCC2)c1ccc(N2CCCC2=O)cc1 ZINC000152813518 496264206 /nfs/dbraw/zinc/26/42/06/496264206.db2.gz ABHJCYLPFGPQLA-MRXNPFEDSA-N 2 0 352.482 3.240 20 0 FGADRP CN1c2ccc(C[N@@H+]3CC[C@@H]4[C@H](CCC[NH+]4C4CC4)C3)cc2CCC1=O ZINC000187125491 496304630 /nfs/dbraw/zinc/30/46/30/496304630.db2.gz QSLAUKASBRLBSY-WIYYLYMNSA-N 2 0 353.510 3.044 20 0 FGADRP CC[NH+](CC)CCn1ccc2cc(NC(=O)C[C@H]3CSCC[NH2+]3)ccc21 ZINC000571878393 505836205 /nfs/dbraw/zinc/83/62/05/505836205.db2.gz WDUJOYLTFDIVCK-SFHVURJKSA-N 2 0 374.554 3.017 20 0 FGADRP C[C@@H]1CCCN(CC[NH2+]C2CCN(C(=O)c3ccc(Cl)cc3)CC2)C1 ZINC000156698925 496313319 /nfs/dbraw/zinc/31/33/19/496313319.db2.gz XBBPUSWSPYRQIZ-MRXNPFEDSA-N 2 0 363.933 3.266 20 0 FGADRP CC[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)c1ccc(F)cc1F ZINC000172536083 496332692 /nfs/dbraw/zinc/33/26/92/496332692.db2.gz RLYBDWAFFNHTAY-LJQANCHMSA-N 2 0 360.452 3.353 20 0 FGADRP C[C@H]1CCC[C@H]([NH+]2CCC(NCc3ccncc3OCC[NH+](C)C)CC2)C1 ZINC000571886427 505837887 /nfs/dbraw/zinc/83/78/87/505837887.db2.gz UHTZETYFDFNDHR-RXVVDRJESA-N 2 0 374.573 3.155 20 0 FGADRP COc1cc(Br)ccc1CCC[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000184332227 496339530 /nfs/dbraw/zinc/33/95/30/496339530.db2.gz XXMGRLAQKGGINR-CJNGLKHVSA-N 2 0 355.320 3.463 20 0 FGADRP C[C@H]([NH2+][C@@H](C)c1ccccc1)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000181348946 496362842 /nfs/dbraw/zinc/36/28/42/496362842.db2.gz XVGIDGCSTIRONA-BBTUJRGHSA-N 2 0 351.494 3.116 20 0 FGADRP CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(N3CC[NH+](C)CC3)nc2)C12CCCCC2 ZINC000181456231 496403578 /nfs/dbraw/zinc/40/35/78/496403578.db2.gz MTFJEAYIANZNAN-VQTJNVASSA-N 2 0 372.557 3.051 20 0 FGADRP CC[S@@](=O)[C@H]1CCC[C@H]([NH2+][C@@H](C)c2ccc(OCC[NH+](C)C)cc2)C1 ZINC000162812729 496417155 /nfs/dbraw/zinc/41/71/55/496417155.db2.gz OOPWEFKEQGJZKG-BKNYKGDCSA-N 2 0 366.571 3.357 20 0 FGADRP CC[NH+](CC)CCC[C@H](C)NC(=O)c1ccc(N2CC[NH+](CC)CC2)cc1 ZINC000175588899 496453451 /nfs/dbraw/zinc/45/34/51/496453451.db2.gz PIAGCXQTBQDHSY-IBGZPJMESA-N 2 0 374.573 3.069 20 0 FGADRP C[C@@H]([NH2+][C@H](C)C1CCCC1)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000184654856 496480549 /nfs/dbraw/zinc/48/05/49/496480549.db2.gz SUNVPILBESMJIK-QZTJIDSGSA-N 2 0 357.542 3.324 20 0 FGADRP CC[NH+](CC)Cc1ccccc1CNC(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000175645544 496481355 /nfs/dbraw/zinc/48/13/55/496481355.db2.gz NVDDIQNFFJQVGK-WOJBJXKFSA-N 2 0 360.546 3.200 20 0 FGADRP C[C@H](C(=O)NCC1CC[NH+](Cc2ccccc2)CC1)[NH+]1CCCCCC1 ZINC000175701217 496507392 /nfs/dbraw/zinc/50/73/92/496507392.db2.gz MITIXIOWYZYODR-LJQANCHMSA-N 2 0 357.542 3.279 20 0 FGADRP CCc1cccc(C)c1NC(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@H+]1CC ZINC000157632431 496519675 /nfs/dbraw/zinc/51/96/75/496519675.db2.gz NDDLCJSNQLDUDD-LJQANCHMSA-N 2 0 360.546 3.437 20 0 FGADRP C[C@H]([NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1)c1ccc(F)cc1F ZINC000163506591 496526057 /nfs/dbraw/zinc/52/60/57/496526057.db2.gz DCPWOUCUHDHPMD-AWEZNQCLSA-N 2 0 367.484 3.242 20 0 FGADRP C[C@H](C[NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)c1cccc(Cl)c1 ZINC000187673644 496530365 /nfs/dbraw/zinc/53/03/65/496530365.db2.gz NSEWAKOPBAHQFH-MRXNPFEDSA-N 2 0 358.917 3.380 20 0 FGADRP C[C@H](NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1)C(C)(C)C[NH+](C)C ZINC000173056058 496535993 /nfs/dbraw/zinc/53/59/93/496535993.db2.gz RARLHVRUCOGHCB-FUHWJXTLSA-N 2 0 363.521 3.130 20 0 FGADRP [NH3+]C[C@@H](C(=O)NCc1ccccc1C[NH+]1CCCCCC1)c1ccccc1 ZINC000178746035 496558527 /nfs/dbraw/zinc/55/85/27/496558527.db2.gz AXHVFABCBNGHCQ-JOCHJYFZSA-N 2 0 365.521 3.421 20 0 FGADRP COC[C@H]([NH2+]Cc1ccccc1C[NH+]1CCC(C)CC1)C1CCOCC1 ZINC000187775694 496567486 /nfs/dbraw/zinc/56/74/86/496567486.db2.gz YAEOPWWISIIKLZ-QFIPXVFZSA-N 2 0 360.542 3.450 20 0 FGADRP Cc1ccc(S(=O)(=O)C[C@@H](C)[NH2+]Cc2ccc(C[NH+](C)C)cc2)cc1 ZINC000184895658 496575602 /nfs/dbraw/zinc/57/56/02/496575602.db2.gz NQGYMAIPQCTKLX-QGZVFWFLSA-N 2 0 360.523 3.009 20 0 FGADRP Cc1ccccc1C[NH+]1CCC(NC(=O)[C@H]2CCCCCC[C@@H]2[NH3+])CC1 ZINC000164549321 496617757 /nfs/dbraw/zinc/61/77/57/496617757.db2.gz LMKFPAKNWDYPEH-SFTDATJTSA-N 2 0 357.542 3.373 20 0 FGADRP C[C@H]([NH2+][C@@H](C)c1ccccc1)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000182030977 496642212 /nfs/dbraw/zinc/64/22/12/496642212.db2.gz XVGIDGCSTIRONA-WFXMLNOXSA-N 2 0 351.494 3.116 20 0 FGADRP CC1CC[NH+](CCCC[NH2+][C@@H]2CCN(Cc3ccccn3)C[C@@H]2C)CC1 ZINC000158202465 496649484 /nfs/dbraw/zinc/64/94/84/496649484.db2.gz SBZKHXOPJYUMOL-RBBKRZOGSA-N 2 0 358.574 3.394 20 0 FGADRP C[C@@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000158210472 496651051 /nfs/dbraw/zinc/65/10/51/496651051.db2.gz BYNKIZRFNWZJBM-JKSUJKDBSA-N 2 0 351.922 3.008 20 0 FGADRP COC[C@@H](Cc1ccccc1)[NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000165316508 496654899 /nfs/dbraw/zinc/65/48/99/496654899.db2.gz SBKKNZRJWOKNDH-DHIUTWEWSA-N 2 0 352.522 3.398 20 0 FGADRP CCO[C@@H](CC[NH+](C)C)C[NH2+]C1CCN(Cc2ccccc2Cl)CC1 ZINC000165972524 496674294 /nfs/dbraw/zinc/67/42/94/496674294.db2.gz HEIJLFOYTGUPAQ-IBGZPJMESA-N 2 0 367.965 3.251 20 0 FGADRP FC(F)(F)c1ccc(N2CCC([NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)CC2)nc1 ZINC000166162440 496678219 /nfs/dbraw/zinc/67/82/19/496678219.db2.gz WNSHKCDMMBVIEV-DLBZAZTESA-N 2 0 368.447 3.286 20 0 FGADRP CC[NH+](CC)[C@@H]1CCN(C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)C1 ZINC000173415013 496683051 /nfs/dbraw/zinc/68/30/51/496683051.db2.gz YMWQKXTWOBPHPP-SJORKVTESA-N 2 0 364.559 3.011 20 0 FGADRP Cc1ccc2c(c1)[C@@H]([NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1)CCC2 ZINC000166468872 496685845 /nfs/dbraw/zinc/68/58/45/496685845.db2.gz PPWQLQFANQZIBO-QFIPXVFZSA-N 2 0 365.521 3.454 20 0 FGADRP CN(C)CC[NH+]1CCC(C[NH2+][C@@H](C[C@H]2CCOC2)c2ccccc2)CC1 ZINC000166500635 496688043 /nfs/dbraw/zinc/68/80/43/496688043.db2.gz FWETTZOYQDIWRA-IRLDBZIGSA-N 2 0 359.558 3.018 20 0 FGADRP C[C@@H](CNC(=O)CC[C@@H]([NH3+])c1ccccc1)[N@@H+]1CCc2ccccc2C1 ZINC000166500294 496688419 /nfs/dbraw/zinc/68/84/19/496688419.db2.gz WBOFTFYHDXUCHE-LAUBAEHRSA-N 2 0 351.494 3.030 20 0 FGADRP C[C@H](C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)[C@@H]([NH3+])c1ccccc1 ZINC000168999937 496714255 /nfs/dbraw/zinc/71/42/55/496714255.db2.gz VNDUNEIJUMIXQZ-DZFGPLHGSA-N 2 0 351.494 3.103 20 0 FGADRP C[C@H](NC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182345125 496730671 /nfs/dbraw/zinc/73/06/71/496730671.db2.gz ZWPMNHHKSFJTDA-HOTGVXAUSA-N 2 0 364.578 3.248 20 0 FGADRP COc1cc(Cl)c(C)cc1NC(=O)CC[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000246989610 496744415 /nfs/dbraw/zinc/74/44/15/496744415.db2.gz JIMHTPSFMVLGGK-IIAWOOMASA-N 2 0 367.921 3.304 20 0 FGADRP CC[N@@H+]1CC[C@H]([NH+](C)CCC(=O)NCc2ccccc2Cl)[C@@H](C)C1 ZINC000247056746 496765036 /nfs/dbraw/zinc/76/50/36/496765036.db2.gz ZNJXHCQOZZJWIG-YJBOKZPZSA-N 2 0 351.922 3.008 20 0 FGADRP C[C@@H]([NH3+])CCC(=O)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000277420388 496767940 /nfs/dbraw/zinc/76/79/40/496767940.db2.gz ANQAQQOMTWSZFU-GOSISDBHSA-N 2 0 366.509 3.075 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(CC(=O)N2CCc3ccccc3C2)C1 ZINC000247080692 496774142 /nfs/dbraw/zinc/77/41/42/496774142.db2.gz VQVXWPQWEUEPFY-UXHICEINSA-N 2 0 369.553 3.158 20 0 FGADRP C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)NC[C@H]2CCC[NH+](C)C2)C1 ZINC000247084504 496775462 /nfs/dbraw/zinc/77/54/62/496775462.db2.gz INQNZZAAIKMCOM-RTBURBONSA-N 2 0 372.557 3.060 20 0 FGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+][C@@H]2C[C@@H](C)N(C3CC3)C2)CC1 ZINC000247112312 496782604 /nfs/dbraw/zinc/78/26/04/496782604.db2.gz TXKCOYHQEOPCTM-ZIFCJYIRSA-N 2 0 374.548 3.243 20 0 FGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+][C@H]2C[C@@H](C)N(C3CC3)C2)CC1 ZINC000247112300 496782902 /nfs/dbraw/zinc/78/29/02/496782902.db2.gz TXKCOYHQEOPCTM-AOIWGVFYSA-N 2 0 374.548 3.243 20 0 FGADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CCC[C@@H]2c2cccc(N(C)C)c2)CC1 ZINC000191513231 496792226 /nfs/dbraw/zinc/79/22/26/496792226.db2.gz OYSVGTXWGPGOPM-JOCHJYFZSA-N 2 0 358.574 3.306 20 0 FGADRP CC[NH+]1CCC([NH2+]CCc2cn3cc(Br)cc(C)c3n2)CC1 ZINC000273472626 496814837 /nfs/dbraw/zinc/81/48/37/496814837.db2.gz SFOIHTWYNCBKAB-UHFFFAOYSA-N 2 0 365.319 3.022 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[NH+](Cc3ccccc3)C2)[C@@H](C)C1 ZINC000247280410 496822780 /nfs/dbraw/zinc/82/27/80/496822780.db2.gz FWXRBGBGOLUCLN-TYPHKJRUSA-N 2 0 357.542 3.087 20 0 FGADRP CCCOc1ccc([C@H](C)[NH2+]CC2(O)CC[NH+](C)CC2)cc1OCCC ZINC000268950294 496831757 /nfs/dbraw/zinc/83/17/57/496831757.db2.gz CCPXIYFDJLHSJN-KRWDZBQOSA-N 2 0 364.530 3.372 20 0 FGADRP C[NH+]1CCC(O)(C[NH2+][C@H]2CCSc3ccc(Br)cc32)CC1 ZINC000268950310 496832039 /nfs/dbraw/zinc/83/20/39/496832039.db2.gz CEGQKRWSERGPQJ-AWEZNQCLSA-N 2 0 371.344 3.032 20 0 FGADRP Cc1cccc(C[C@H](CO)[NH2+][C@@H](C)c2ccc(OCC[NH+](C)C)cc2)c1 ZINC000191613611 496832894 /nfs/dbraw/zinc/83/28/94/496832894.db2.gz OXQKIYZHSANWIA-GHTZIAJQSA-N 2 0 356.510 3.190 20 0 FGADRP CC[N@H+](C)C[C@H]1CCN(C(=O)NC[C@H](c2ccc(C)cc2)[NH+]2CCCC2)C1 ZINC000247355178 496842879 /nfs/dbraw/zinc/84/28/79/496842879.db2.gz PRQVPWASUYXNPC-TZIWHRDSSA-N 2 0 372.557 3.115 20 0 FGADRP CC[N@H+](C)C[C@@H]1CC[NH+](C[C@@H](O)CO[C@@H](C)c2ccc(Cl)cc2)C1 ZINC000247399308 496850444 /nfs/dbraw/zinc/85/04/44/496850444.db2.gz WYBSBHFMISDPEV-TXPKVOOTSA-N 2 0 354.922 3.052 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)c2c[nH+]ccc2N(C)C)CC1 ZINC000273730455 496887135 /nfs/dbraw/zinc/88/71/35/496887135.db2.gz QRNVCOIWZHEACY-QGZVFWFLSA-N 2 0 358.530 3.264 20 0 FGADRP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@H]3CCC[C@H]32)CC1 ZINC000247642948 496898135 /nfs/dbraw/zinc/89/81/35/496898135.db2.gz TXYRFDHEZQQASB-DENIHFKCSA-N 2 0 369.553 3.340 20 0 FGADRP [NH3+]CCCn1ccc2cc(C(=O)NC3CC[NH+](C4CCCC4)CC3)ccc21 ZINC000269244171 496903530 /nfs/dbraw/zinc/90/35/30/496903530.db2.gz SLYUNJCNOABGOC-UHFFFAOYSA-N 2 0 368.525 3.127 20 0 FGADRP C[C@@H]1CN(Cc2ccccn2)CC[C@H]1[NH2+]C[C@@H](c1cccs1)N(C)C ZINC000247888526 496925354 /nfs/dbraw/zinc/92/53/54/496925354.db2.gz DRRFGGOGAQDWAA-QRQLOZEOSA-N 2 0 358.555 3.246 20 0 FGADRP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)c1ccc(Br)s1 ZINC000247926129 496929282 /nfs/dbraw/zinc/92/92/82/496929282.db2.gz BPTWMKNDWANJLQ-STQMWFEESA-N 2 0 361.349 3.398 20 0 FGADRP CCCOc1ccc(C[NH2+][C@@H]2CCN(Cc3ccccn3)C[C@H]2C)cn1 ZINC000247950123 496931720 /nfs/dbraw/zinc/93/17/20/496931720.db2.gz DYTVVRRMMKYAMK-YLJYHZDGSA-N 2 0 354.498 3.266 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2ccc3c(c2)OCCO3)[C@H](C)C1 ZINC000247970982 496936303 /nfs/dbraw/zinc/93/63/03/496936303.db2.gz JIGQGAYWRWDFQX-LMMKCTJWSA-N 2 0 362.514 3.245 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)C[C@H]([NH3+])c1ccccc1 ZINC000269511853 496962004 /nfs/dbraw/zinc/96/20/04/496962004.db2.gz OVLGTQQWVSRYGJ-JRGCBEDISA-N 2 0 351.494 3.103 20 0 FGADRP C[C@@H](CCc1ccco1)[NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000248199145 496972179 /nfs/dbraw/zinc/97/21/79/496972179.db2.gz YBFZWQPYUDGUIM-FXAWDEMLSA-N 2 0 369.509 3.088 20 0 FGADRP C[C@H](NC(=O)N1CCCC[C@H]1c1ncc[nH]1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248389609 496989964 /nfs/dbraw/zinc/98/99/64/496989964.db2.gz AWDKDRTZMVSZFZ-BQFCYCMXSA-N 2 0 359.518 3.299 20 0 FGADRP O=C(CC[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)N1CCCCC1 ZINC000248405305 496998191 /nfs/dbraw/zinc/99/81/91/496998191.db2.gz REDGMXHISWQIRE-BHDDXSALSA-N 2 0 369.553 3.279 20 0 FGADRP C[C@@H]([NH3+])[C@H](C)C(=O)NCCC[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000192122550 497001893 /nfs/dbraw/zinc/00/18/93/497001893.db2.gz IYVFNRPZEKXMST-RBUKOAKNSA-N 2 0 353.510 3.178 20 0 FGADRP C[NH+]1CCN(c2ncccc2C[NH2+][C@@H]2CC[C@H](Cc3ccccc3)C2)CC1 ZINC000189088667 497003618 /nfs/dbraw/zinc/00/36/18/497003618.db2.gz LNZABHFGLWEODH-IFMALSPDSA-N 2 0 364.537 3.334 20 0 FGADRP CCOc1ccc(CN(CCCn2ccnc2)Cc2ncccn2)cc1 ZINC000192146025 497011951 /nfs/dbraw/zinc/01/19/51/497011951.db2.gz XYBHIZUZFAJUGK-UHFFFAOYSA-N 2 0 351.454 3.164 20 0 FGADRP CC(=O)Nc1cccc([C@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CC[C@@H](O)C2)c1 ZINC000248456962 497017502 /nfs/dbraw/zinc/01/75/02/497017502.db2.gz SQRCCZXJMJQQMV-KSFYIVLOSA-N 2 0 367.493 3.062 20 0 FGADRP C[C@@H]1C[N@@H+](CCC2CC[NH+](C[C@@H](O)CCc3ccccc3)CC2)C[C@H](C)O1 ZINC000248562908 497040580 /nfs/dbraw/zinc/04/05/80/497040580.db2.gz JZLOWUMBJZQOAY-MZKRTTBSSA-N 2 0 374.569 3.191 20 0 FGADRP Cc1cc([C@H](C)[NH2+]Cc2ccc(C(=O)N3CCN(C)CC3)cc2)c(C)o1 ZINC000278300953 497067216 /nfs/dbraw/zinc/06/72/16/497067216.db2.gz RVNAUAISBVLCAL-INIZCTEOSA-N 2 0 355.482 3.135 20 0 FGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCCc2ccc3c(c2)CCO3)[C@@H](C)C1 ZINC000248664930 497076149 /nfs/dbraw/zinc/07/61/49/497076149.db2.gz KUXDWOJAVBJZHD-GHTZIAJQSA-N 2 0 360.542 3.281 20 0 FGADRP COCCC1(C[NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)CCCCC1 ZINC000189310261 497076750 /nfs/dbraw/zinc/07/67/50/497076750.db2.gz BKJYCLXTWMWZIH-PMACEKPBSA-N 2 0 352.563 3.331 20 0 FGADRP C[NH+]1CCC(C)(C[NH2+]Cc2ccc(I)cc2)CC1 ZINC000226348840 497081644 /nfs/dbraw/zinc/08/16/44/497081644.db2.gz IUYFKNITQCGIQV-UHFFFAOYSA-N 2 0 358.267 3.113 20 0 FGADRP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH2+][C@@H]4[C@@H]5CCO[C@H]5C45CCC5)[C@H]3C2)cc1 ZINC000248722696 497087887 /nfs/dbraw/zinc/08/78/87/497087887.db2.gz MJQPIFTUYSZUNZ-PCPGVINSSA-N 2 0 352.522 3.444 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)N(C)CC[C@H]1CCCC[NH+]1C ZINC000248789075 497104472 /nfs/dbraw/zinc/10/44/72/497104472.db2.gz IOGTYAVMYRGKPC-HMXCVIKNSA-N 2 0 372.557 3.023 20 0 FGADRP CCOC(=O)N1CC[C@@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000248828305 497112674 /nfs/dbraw/zinc/11/26/74/497112674.db2.gz GTSPNQWSAKCTJB-YSTOQKLRSA-N 2 0 357.498 3.002 20 0 FGADRP c1c[nH]c([C@H](NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)c2cccnc2)n1 ZINC000248834817 497114398 /nfs/dbraw/zinc/11/43/98/497114398.db2.gz GIIDOJFQHJKXIV-TZIWHRDSSA-N 2 0 361.493 3.048 20 0 FGADRP CC1CC[NH+](Cc2ccc(CNC(=O)[C@@H]([NH3+])Cc3ccccc3)cc2)CC1 ZINC000236634291 497124330 /nfs/dbraw/zinc/12/43/30/497124330.db2.gz CLIAQARKMMHNPR-QFIPXVFZSA-N 2 0 365.521 3.105 20 0 FGADRP C[C@H]1C[C@H](NCCC[NH+]2CCCO[C@H](C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000278472178 497126750 /nfs/dbraw/zinc/12/67/50/497126750.db2.gz JURMOCJZIAWDDK-TUNNFDKTSA-N 2 0 359.558 3.130 20 0 FGADRP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@](C)([NH3+])c2ccccc2)CC1 ZINC000192529534 497141446 /nfs/dbraw/zinc/14/14/46/497141446.db2.gz FZYGUURJXPNFTG-HTAPYJJXSA-N 2 0 351.494 3.202 20 0 FGADRP C[N@@H+]1CCC[C@H](CNC(=O)[C@@](C)([NH3+])c2ccccc2)[C@@H]1c1cccs1 ZINC000249051805 497154446 /nfs/dbraw/zinc/15/44/46/497154446.db2.gz XRKOHLGXBLCGHV-ZTNFWEORSA-N 2 0 357.523 3.121 20 0 FGADRP COc1ccc([C@@H](C)[NH2+]CC2CC[NH+](C3CC3)CC2)cc1Cn1cccn1 ZINC000278572900 497155339 /nfs/dbraw/zinc/15/53/39/497155339.db2.gz XNTXNHJAMZJVIK-QGZVFWFLSA-N 2 0 368.525 3.465 20 0 FGADRP CC[NH+](CC)CCOc1ccc(NC(=O)C[C@@H](C)C2CC[NH2+]CC2)cc1 ZINC000236885727 497163019 /nfs/dbraw/zinc/16/30/19/497163019.db2.gz GDELJFOABOZQHN-QGZVFWFLSA-N 2 0 361.530 3.372 20 0 FGADRP CN(CC1([NH+](C)C)CCC1)C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000189608375 497180916 /nfs/dbraw/zinc/18/09/16/497180916.db2.gz KFIXPMSECKSBOP-INIZCTEOSA-N 2 0 364.559 3.011 20 0 FGADRP O=C(c1ccc(C[NH+]2CCCCC2)cc1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000265929440 497210353 /nfs/dbraw/zinc/21/03/53/497210353.db2.gz ADWSTCUWJCXTJQ-HXUWFJFHSA-N 2 0 355.526 3.230 20 0 FGADRP c1c(CC[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)nc2n1CCS2 ZINC000278762644 497212682 /nfs/dbraw/zinc/21/26/82/497212682.db2.gz OSTDVJUKCHHONA-OWZKRDHZSA-N 2 0 368.550 3.317 20 0 FGADRP CN(C(=O)C[C@H]([NH3+])c1ccccc1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000237292127 497215543 /nfs/dbraw/zinc/21/55/43/497215543.db2.gz LWCJBEPKTDCGGA-SFTDATJTSA-N 2 0 351.494 3.200 20 0 FGADRP Cc1ccc(C)c(OCC[NH+]2CCC(N3CC[NH+](C(C)C)CC3)CC2)c1 ZINC000270952605 497231768 /nfs/dbraw/zinc/23/17/68/497231768.db2.gz SZIMIIZOTZZTBC-UHFFFAOYSA-N 2 0 359.558 3.173 20 0 FGADRP C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)c3ccc(C[NH3+])cc3)cc2)C1 ZINC000237476358 497242231 /nfs/dbraw/zinc/24/22/31/497242231.db2.gz HDRZPJYYHPZIRS-QGZVFWFLSA-N 2 0 351.494 3.307 20 0 FGADRP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@@H]1C)C(=O)NCC(F)(F)F ZINC000249773190 497246792 /nfs/dbraw/zinc/24/67/92/497246792.db2.gz USPFKVJOZNSJTK-LSDHHAIUSA-N 2 0 371.447 3.218 20 0 FGADRP c1ccc(C[N@H+]2CC[C@H](C[NH2+]C3CCN(Cc4ccccn4)CC3)C2)cc1 ZINC000192934876 497251212 /nfs/dbraw/zinc/25/12/12/497251212.db2.gz CSOPDWUEZFGURL-OAQYLSRUSA-N 2 0 364.537 3.158 20 0 FGADRP Cc1ccccc1C[NH+]1CCC(NC(=O)C[C@@H](C)[C@H]2CCC[NH2+]C2)CC1 ZINC000237599689 497261241 /nfs/dbraw/zinc/26/12/41/497261241.db2.gz OTOWIBJWGYMCCI-MOPGFXCFSA-N 2 0 357.542 3.101 20 0 FGADRP CCN(CCC[NH+](C)C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000189872832 497275627 /nfs/dbraw/zinc/27/56/27/497275627.db2.gz PYVQPXFXAMSZML-UYAOXDASSA-N 2 0 360.546 3.023 20 0 FGADRP C[C@@H](C(=O)Nc1ccc2ccn(CC[NH+](C)C)c2c1)[C@H]([NH3+])c1ccccc1 ZINC000237727694 497283290 /nfs/dbraw/zinc/28/32/90/497283290.db2.gz JTZLVVMEKALCMW-IERDGZPVSA-N 2 0 364.493 3.478 20 0 FGADRP [NH3+]C[C@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccccc1 ZINC000237810163 497295159 /nfs/dbraw/zinc/29/51/59/497295159.db2.gz JUQSEQMOBGOKMM-KBRMVUAJSA-N 2 0 363.505 3.041 20 0 FGADRP [NH3+][C@@H](C(=O)NCc1cccc(C[NH+]2CCCCCC2)c1)c1ccccc1 ZINC000237832928 497299428 /nfs/dbraw/zinc/29/94/28/497299428.db2.gz JNBLIBVZFISULV-OAQYLSRUSA-N 2 0 351.494 3.379 20 0 FGADRP [NH3+][C@H](CCC(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1)c1ccccc1 ZINC000237925594 497315409 /nfs/dbraw/zinc/31/54/09/497315409.db2.gz OIBKEOMRGJSEPK-MSOLQXFVSA-N 2 0 357.523 3.481 20 0 FGADRP [NH3+][C@H](C(=O)NCc1cccc(C[NH+]2CCCCCC2)c1)c1ccccc1 ZINC000238026181 497329583 /nfs/dbraw/zinc/32/95/83/497329583.db2.gz JNBLIBVZFISULV-NRFANRHFSA-N 2 0 351.494 3.379 20 0 FGADRP C[N@@H+]1CCC[C@@H]2C[NH+](C[C@@]3(C)CCN(C(=O)OC(C)(C)C)C3)CC[C@H]21 ZINC000190055687 497340214 /nfs/dbraw/zinc/34/02/14/497340214.db2.gz QMVNWTBWVSEIIW-MBOZVWFJSA-N 2 0 351.535 3.050 20 0 FGADRP O=C(CC1CC[NH2+]CC1)N1CC[N@H+](Cc2ccccc2)C2(CCCCC2)C1 ZINC000238132937 497342553 /nfs/dbraw/zinc/34/25/53/497342553.db2.gz CGIKKURYBIUBLO-UHFFFAOYSA-N 2 0 369.553 3.423 20 0 FGADRP COc1cc([C@H](C)[NH2+]C2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)ccc1SC ZINC000271548130 497379754 /nfs/dbraw/zinc/37/97/54/497379754.db2.gz UKOXEQHRPDPIBP-BMGDILEWSA-N 2 0 364.555 3.446 20 0 FGADRP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)C1 ZINC000245412213 497393306 /nfs/dbraw/zinc/39/33/06/497393306.db2.gz AEOHLHHDRAMEQS-OALUTQOASA-N 2 0 364.578 3.014 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)CC(=O)Nc2ccc(Br)cc2)[C@@H](C)C1 ZINC000245415851 497394330 /nfs/dbraw/zinc/39/43/30/497394330.db2.gz DQEBFRZCNWOBMI-BBRMVZONSA-N 2 0 368.319 3.050 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)CC(=O)N[C@H](C)c2ccc(Cl)cc2)[C@@H](C)C1 ZINC000245440519 497408420 /nfs/dbraw/zinc/40/84/20/497408420.db2.gz UOUMHKYFPZHDHS-DAYGRLMNSA-N 2 0 351.922 3.179 20 0 FGADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H](C)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000266777036 497417439 /nfs/dbraw/zinc/41/74/39/497417439.db2.gz BZZAQYRYXXOPLQ-DLBZAZTESA-N 2 0 369.575 3.098 20 0 FGADRP CC[N@H+](Cc1ccc(C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)cc1)C(C)C ZINC000261608077 497418814 /nfs/dbraw/zinc/41/88/14/497418814.db2.gz BKAZKISTXZSOAT-FCHUYYIVSA-N 2 0 365.521 3.484 20 0 FGADRP CCCN(C(=O)CC[C@H]1CC[NH2+]C1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000261677044 497432285 /nfs/dbraw/zinc/43/22/85/497432285.db2.gz BCOSEIXRQKQMIZ-PZJWPPBQSA-N 2 0 357.542 3.279 20 0 FGADRP c1ccc(N2CCN(C[C@@H]3CCC[N@H+](C[C@@H]4CC=CCC4)C3)CC2)nc1 ZINC000245553164 497452258 /nfs/dbraw/zinc/45/22/58/497452258.db2.gz DYVMCUJLQMOJLR-RTWAWAEBSA-N 2 0 354.542 3.272 20 0 FGADRP Cc1cccc(N2CC[NH+](CCCC[NH2+][C@@H]3C[C@@H](C)O[C@@H](C)C3)CC2)c1 ZINC000245637786 497482686 /nfs/dbraw/zinc/48/26/86/497482686.db2.gz CMGSJLHOCPLNGI-WKCHPHFGSA-N 2 0 359.558 3.443 20 0 FGADRP C[C@@H]([NH2+]CC1=CC[N@H+](C)CC1)c1ccccc1I ZINC000271911544 497486358 /nfs/dbraw/zinc/48/63/58/497486358.db2.gz YAUZUQDBTKPNQP-GFCCVEGCSA-N 2 0 356.251 3.204 20 0 FGADRP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000245680579 497499899 /nfs/dbraw/zinc/49/98/99/497499899.db2.gz GKRMFKFRDVLNAP-NHCUHLMSSA-N 2 0 372.557 3.339 20 0 FGADRP CCOC(CC[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1)OCC ZINC000276192197 497517791 /nfs/dbraw/zinc/51/77/91/497517791.db2.gz IDNDDGAGFHORJL-UHFFFAOYSA-N 2 0 363.546 3.096 20 0 FGADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000193917774 497519527 /nfs/dbraw/zinc/51/95/27/497519527.db2.gz VPVOMVYZVIMQRR-IYBDPMFKSA-N 2 0 363.933 3.293 20 0 FGADRP C[C@H](c1ccc(F)c(Cl)c1)[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000262181328 497521736 /nfs/dbraw/zinc/52/17/36/497521736.db2.gz IRSUSEBMMQVUNX-LBTNJELSSA-N 2 0 367.896 3.120 20 0 FGADRP C[NH+](C)CCCC1CCN(C(=O)NCc2ccc(CC[NH+](C)C)cc2)CC1 ZINC000276251879 497529613 /nfs/dbraw/zinc/52/96/13/497529613.db2.gz MJURVGBGBTYHHP-UHFFFAOYSA-N 2 0 374.573 3.054 20 0 FGADRP C[N@@H+]1CCC[C@@H](CNC2=[NH+]CCCN2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000262277935 497533075 /nfs/dbraw/zinc/53/30/75/497533075.db2.gz KDRXWUVVQJBRPN-GOEBONIOSA-N 2 0 354.420 3.027 20 0 FGADRP C[NH+](Cc1ccccc1C[N@@H+](C)[C@H](CO)C(C)(C)C)[C@H](CO)C(C)(C)C ZINC000245781274 497537517 /nfs/dbraw/zinc/53/75/17/497537517.db2.gz MEHSQWONJTVOGP-WOJBJXKFSA-N 2 0 364.574 3.364 20 0 FGADRP CC[NH+](CC)CCOc1ccc(C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCC3)cc1 ZINC000193977598 497538182 /nfs/dbraw/zinc/53/81/82/497538182.db2.gz VTELDHLDMUPESM-NJDAHSKKSA-N 2 0 358.526 3.454 20 0 FGADRP CCO[C@@H]1C[C@H]([NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)C1(CC)CC ZINC000245820965 497544438 /nfs/dbraw/zinc/54/44/38/497544438.db2.gz ABVIBHLLDBRTEZ-LWYYNNOASA-N 2 0 352.563 3.328 20 0 FGADRP [NH3+]CCCN(Cc1ccccc1)C(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000262458492 497560274 /nfs/dbraw/zinc/56/02/74/497560274.db2.gz LUUAYWFOBGKIPM-UHFFFAOYSA-N 2 0 351.494 3.274 20 0 FGADRP C[NH+](Cc1ccccc1C[N@H+](C)C[C@H]1CCCOC1)C[C@H]1CCCOC1 ZINC000245906888 497566911 /nfs/dbraw/zinc/56/69/11/497566911.db2.gz IISXKCWFAUOIPJ-WOJBJXKFSA-N 2 0 360.542 3.403 20 0 FGADRP CC(C)[NH+]1CCC(NC(=O)N[C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000272265297 497581167 /nfs/dbraw/zinc/58/11/67/497581167.db2.gz NBXLRXBIJGWRGO-AZUAARDMSA-N 2 0 372.557 3.069 20 0 FGADRP [NH3+]CCCCCCC(=O)Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1 ZINC000262635506 497588687 /nfs/dbraw/zinc/58/86/87/497588687.db2.gz HGEZMBAFQZLQED-UHFFFAOYSA-N 2 0 358.530 3.066 20 0 FGADRP COc1cc(C[NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)ccc1C ZINC000194172835 497593163 /nfs/dbraw/zinc/59/31/63/497593163.db2.gz VDNMQOOXMSLNIC-UHFFFAOYSA-N 2 0 354.494 3.250 20 0 FGADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N1CCC[C@H]2C[NH+](C)CC[C@H]21 ZINC000246071230 497611031 /nfs/dbraw/zinc/61/10/31/497611031.db2.gz ZZYNDSFGLMSRKI-LEWJYISDSA-N 2 0 372.557 3.153 20 0 FGADRP CC(C)[N@@H+]1[C@@H]2CC[C@H]1CN(C(=O)NCCCC[NH+]1CCC[C@@H](C)C1)CC2 ZINC000246155178 497641501 /nfs/dbraw/zinc/64/15/01/497641501.db2.gz KMABAEGJRXWDQZ-AQNXPRMDSA-N 2 0 364.578 3.155 20 0 FGADRP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](Cc2sccc2Cl)CC1 ZINC000194353471 497642392 /nfs/dbraw/zinc/64/23/92/497642392.db2.gz HIINLIYXKZSMQS-UHFFFAOYSA-N 2 0 371.978 3.318 20 0 FGADRP C[C@H](C(=O)Nc1ccc(C(F)(F)F)cc1)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000246197828 497656353 /nfs/dbraw/zinc/65/63/53/497656353.db2.gz VFGIXNVYXQFQSS-KGLIPLIRSA-N 2 0 357.420 3.306 20 0 FGADRP CC[NH+](CC)Cc1ccc(CNC(=O)N(C)[C@@H]2CC[N@H+](C)C[C@H]2C)cc1 ZINC000268037488 497665170 /nfs/dbraw/zinc/66/51/70/497665170.db2.gz WWEYGNBJGSQPCN-YLJYHZDGSA-N 2 0 360.546 3.010 20 0 FGADRP CC1CC[NH+](C[C@H]2CCCN(C(=O)c3sccc3C[NH+](C)C)C2)CC1 ZINC000268051409 497668164 /nfs/dbraw/zinc/66/81/64/497668164.db2.gz VHOKXNYWXABCLL-QGZVFWFLSA-N 2 0 363.571 3.394 20 0 FGADRP C[C@@H]1C[C@@H]([NH2+][C@@H](Cc2ccccc2)C(=O)NCC[NH+](C)C)c2ccccc21 ZINC000578362374 505923081 /nfs/dbraw/zinc/92/30/81/505923081.db2.gz NOVCOSJGHKGGCF-YHYVQYDKSA-N 2 0 365.521 3.114 20 0 FGADRP C[NH+](C)CCOc1ccc(NC(=O)[C@H]2CCCC[C@@]2(C)[NH3+])cc1Cl ZINC000263052678 497692697 /nfs/dbraw/zinc/69/26/97/497692697.db2.gz USGMWQBXBAMVBX-RDTXWAMCSA-N 2 0 353.894 3.127 20 0 FGADRP Cc1ccc(C)c(OC[C@H](O)C[NH2+]Cc2ccc(C[NH+](C)C)c(F)c2)c1 ZINC000575116593 505924404 /nfs/dbraw/zinc/92/44/04/505924404.db2.gz GAJUHJNZHIWCNW-LJQANCHMSA-N 2 0 360.473 3.034 20 0 FGADRP O[C@@H]1CC[N@H+](Cc2ccccc2C[NH2+]C2CCN(c3ccccc3)CC2)C1 ZINC000272710507 497709019 /nfs/dbraw/zinc/70/90/19/497709019.db2.gz AVYUNXOSFWUDDC-HSZRJFAPSA-N 2 0 365.521 3.012 20 0 FGADRP COc1cccc2c1CC[C@@H]2[NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000272730832 497714496 /nfs/dbraw/zinc/71/44/96/497714496.db2.gz INJUFDADSDQUPT-NQIIRXRSSA-N 2 0 352.478 3.039 20 0 FGADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)N(C)CC[C@H]2CCCC[NH+]2C)C1 ZINC000246429629 497731916 /nfs/dbraw/zinc/73/19/16/497731916.db2.gz SWASCMIOQHIRQO-RTBURBONSA-N 2 0 352.567 3.014 20 0 FGADRP CN(c1ccccc1C[NH2+]CCCc1nccs1)C1CC[NH+](C)CC1 ZINC000268370943 497735185 /nfs/dbraw/zinc/73/51/85/497735185.db2.gz RRAXCNLONMUTQA-UHFFFAOYSA-N 2 0 358.555 3.396 20 0 FGADRP Cc1ccc(NC(=O)CCCCCC[NH3+])cc1NC(=O)CN1CCCCC1 ZINC000263280776 497748037 /nfs/dbraw/zinc/74/80/37/497748037.db2.gz RXIYMDBCWLMCFN-UHFFFAOYSA-N 2 0 374.529 3.267 20 0 FGADRP CC[C@H](CNC(=O)C[C@H]([NH3+])c1ccccc1)[N@@H+]1CCc2ccccc2C1 ZINC000263300235 497753353 /nfs/dbraw/zinc/75/33/53/497753353.db2.gz DASZNZAOKZFXOC-RTWAWAEBSA-N 2 0 351.494 3.030 20 0 FGADRP CC[C@@H](C)[N@H+](C)CC(=O)NC[C@H](c1ccc(OC)cc1)[NH+]1CCCCC1 ZINC000246503787 497755580 /nfs/dbraw/zinc/75/55/80/497755580.db2.gz HVYOQAROHXLSPY-YLJYHZDGSA-N 2 0 361.530 3.069 20 0 FGADRP CC1CC[NH+](C2CCC(NC(=O)N(C)[C@@H]3CC[N@H+](C)C[C@H]3C)CC2)CC1 ZINC000246515112 497759531 /nfs/dbraw/zinc/75/95/31/497759531.db2.gz INKQQJSJXVOLSY-YNIZLOQISA-N 2 0 364.578 3.011 20 0 FGADRP C[C@@H]1C[C@H](NC(=O)C[C@H]([NH3+])c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000263372520 497770044 /nfs/dbraw/zinc/77/00/44/497770044.db2.gz YXQOGGWEODRCTO-UIFIKXQLSA-N 2 0 351.494 3.246 20 0 FGADRP CC[N@@H+]1CC[C@@H](N(C)Cc2nc(-c3ccc(F)c(F)c3)no2)[C@@H](C)C1 ZINC000246582213 497781718 /nfs/dbraw/zinc/78/17/18/497781718.db2.gz CHBCJLGSAIFRDX-BLLLJJGKSA-N 2 0 350.413 3.177 20 0 FGADRP C[C@H](O)C[C@H]1CCC[N@@H+]1Cc1cccc(C[NH+]2CCC[C@H]2C[C@H](C)O)c1 ZINC000246751850 497807930 /nfs/dbraw/zinc/80/79/30/497807930.db2.gz QGWKHRDSVPNGHR-YHDSQAASSA-N 2 0 360.542 3.157 20 0 FGADRP C[C@H](O)C[C@H](C[NH2+][C@H]1CCN(Cc2ccccn2)C[C@H]1C)c1ccccc1 ZINC000246878098 497818174 /nfs/dbraw/zinc/81/81/74/497818174.db2.gz DHAKSWXETVLBAN-XZYOPWHXSA-N 2 0 367.537 3.436 20 0 FGADRP C[C@H](CCc1ccc2c(c1)OCO2)[NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000246910703 497819960 /nfs/dbraw/zinc/81/99/60/497819960.db2.gz FWNPXHASBVRQIM-KZNAEPCWSA-N 2 0 362.514 3.215 20 0 FGADRP C[NH+]1CCN(c2ncccc2C[NH2+][C@@H]2CCCc3nc(Cl)ccc32)CC1 ZINC000295859217 497832731 /nfs/dbraw/zinc/83/27/31/497832731.db2.gz GLZLUSOZCSRCSF-QGZVFWFLSA-N 2 0 371.916 3.049 20 0 FGADRP CC(C)Oc1ccc(C[NH2+]Cc2ccncc2OCCC[NH+](C)C)cc1 ZINC000288684375 497868197 /nfs/dbraw/zinc/86/81/97/497868197.db2.gz XITWNWONNSEDSK-UHFFFAOYSA-N 2 0 357.498 3.489 20 0 FGADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CC[C@@H](C)[C@H](C(=O)OC(C)(C)C)C1 ZINC000569457045 505939949 /nfs/dbraw/zinc/93/99/49/505939949.db2.gz RCCLXPLQQXNYGP-DNVCBOLYSA-N 2 0 370.497 3.375 20 0 FGADRP Cn1nccc1[C@H]1CCC[C@@H]([NH2+]CCCN2CCc3ccccc3C2)C1 ZINC000572350342 505947724 /nfs/dbraw/zinc/94/77/24/505947724.db2.gz DKNMXYFJIZZMBO-PZJWPPBQSA-N 2 0 352.526 3.484 20 0 FGADRP CN(Cc1c(Cl)cccc1N1CCOCC1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000296186375 497948820 /nfs/dbraw/zinc/94/88/20/497948820.db2.gz YDXYWNSNYFZZAS-SJPCQFCGSA-N 2 0 363.933 3.234 20 0 FGADRP C[NH+](C)CCOc1ccccc1-c1noc(C2CC[NH+](C3CC3)CC2)n1 ZINC000289027927 497985271 /nfs/dbraw/zinc/98/52/71/497985271.db2.gz LHMOTYZUALWNKW-UHFFFAOYSA-N 2 0 356.470 3.019 20 0 FGADRP C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)Nc2cccc3c2CC[NH2+]C3)C1 ZINC000572464970 505975371 /nfs/dbraw/zinc/97/53/71/505975371.db2.gz VUPILOQFXCPOGK-HOTGVXAUSA-N 2 0 358.530 3.210 20 0 FGADRP C[NH+]1CCC(CC(=O)NC[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000292612600 498080429 /nfs/dbraw/zinc/08/04/29/498080429.db2.gz XMJQKJQHRHDGJN-NRFANRHFSA-N 2 0 357.542 3.137 20 0 FGADRP C[NH+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CCn2c(cnc2C2CCCCC2)C1 ZINC000364732085 498118532 /nfs/dbraw/zinc/11/85/32/498118532.db2.gz XAFOWLZTMWOZRL-RTBURBONSA-N 2 0 372.557 3.436 20 0 FGADRP CCC[NH+](CCC)CCCC(=O)N[C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000364771599 498136050 /nfs/dbraw/zinc/13/60/50/498136050.db2.gz OWNLDNZMKNURDJ-FPOVZHCZSA-N 2 0 374.573 3.310 20 0 FGADRP COC[C@]1(C)CC[N@H+](Cc2ccc(C[NH+]3CC[C@](C)(COC)C3)cc2)C1 ZINC000296650346 498138024 /nfs/dbraw/zinc/13/80/24/498138024.db2.gz IYGKOGINIGXWII-SZPZYZBQSA-N 2 0 360.542 3.403 20 0 FGADRP CN1CC[NH+](CC2CC[NH+](Cc3cnc(-c4ccccc4)s3)CC2)CC1 ZINC000289464490 498156100 /nfs/dbraw/zinc/15/61/00/498156100.db2.gz OSXAOBOLODHXGT-UHFFFAOYSA-N 2 0 370.566 3.270 20 0 FGADRP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCCC2)cc1)c1ccc2c(c1)OCC(=O)N2 ZINC000285656526 498161512 /nfs/dbraw/zinc/16/15/12/498161512.db2.gz MNUJVWNTALSFAQ-MRXNPFEDSA-N 2 0 365.477 3.464 20 0 FGADRP CC1(C[NH2+]Cc2cn(-c3ccccc3)nc2-c2cccnc2)CC[NH2+]CC1 ZINC000569672971 505989110 /nfs/dbraw/zinc/98/91/10/505989110.db2.gz KVCZBNPDKFMUTQ-UHFFFAOYSA-N 2 0 361.493 3.414 20 0 FGADRP CC[NH+](CC)[C@H](C(=O)N[C@@H](C)C[C@@H](C)[NH3+])c1cccc(C(F)(F)F)c1 ZINC000578656306 505990503 /nfs/dbraw/zinc/99/05/03/505990503.db2.gz PVWKNVFRSHZVMI-WWGRRREGSA-N 2 0 359.436 3.330 20 0 FGADRP Cc1ncc(CN2CC[C@H]([NH2+][C@@H](C)C(=O)Nc3ccccc3)[C@H](C)C2)s1 ZINC000364920125 498209439 /nfs/dbraw/zinc/20/94/39/498209439.db2.gz YLZUFCNCQJZDEM-VCBZYWHSSA-N 2 0 372.538 3.279 20 0 FGADRP COCCC[C@@H]([NH2+]C1CC[NH+](CCCOC)CC1)c1ccc(F)cc1 ZINC000281620851 498217039 /nfs/dbraw/zinc/21/70/39/498217039.db2.gz CCVWVAGWSBNHCN-HXUWFJFHSA-N 2 0 352.494 3.384 20 0 FGADRP C[C@@H]([NH2+]C[C@@H](O)COc1ccc(Cl)cc1Cl)C(C)(C)C[NH+](C)C ZINC000569715515 506000406 /nfs/dbraw/zinc/00/04/06/506000406.db2.gz NNVGVUMTHANFQA-TZMCWYRMSA-N 2 0 363.329 3.299 20 0 FGADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H](Cc1ccncc1)c1ccc(OC)cc1 ZINC000285937685 498247041 /nfs/dbraw/zinc/24/70/41/498247041.db2.gz FPAVTPFVUNPKCV-FGZHOGPDSA-N 2 0 371.525 3.320 20 0 FGADRP C[C@H](CC(=O)N1CCCC[C@H]1[C@@H](C[NH3+])Cc1ccccc1)C1CC[NH2+]CC1 ZINC000364999130 498247845 /nfs/dbraw/zinc/24/78/45/498247845.db2.gz DIILNRYDPARLFQ-QIJUGHKUSA-N 2 0 371.569 3.211 20 0 FGADRP C[C@H]([NH2+][C@H]1CCO[C@@H]1c1cccnc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000289686353 498248635 /nfs/dbraw/zinc/24/86/35/498248635.db2.gz ZXRYZPIIIXMHTM-KVJIRVJXSA-N 2 0 351.494 3.412 20 0 FGADRP COc1ccc([C@H](C)[NH2+]C2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)c(C)c1OC ZINC000286063643 498281945 /nfs/dbraw/zinc/28/19/45/498281945.db2.gz KTVBVEJPGRDGHY-KFKAGJAMSA-N 2 0 362.514 3.041 20 0 FGADRP COc1ccc([C@@H](C)[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)c(C)c1OC ZINC000286060137 498282173 /nfs/dbraw/zinc/28/21/73/498282173.db2.gz LIFSFSRSWSBLRN-IAGOWNOFSA-N 2 0 362.514 3.164 20 0 FGADRP CC(=O)N1CC[C@H]([NH2+]C[C@H]2CCC[N@@H+](CC(C)C)C2)c2ccccc2C1 ZINC000360661592 498294932 /nfs/dbraw/zinc/29/49/32/498294932.db2.gz LEGAHGDVHCFYAU-KNQAVFIVSA-N 2 0 357.542 3.438 20 0 FGADRP NC(=O)C1CCC([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)CC1 ZINC000578725711 506006474 /nfs/dbraw/zinc/00/64/74/506006474.db2.gz QUQUNOBIHXVNQA-DPVAKWRKSA-N 2 0 355.526 3.063 20 0 FGADRP Cc1ccc2[nH]c3c(c2c1)CCC[C@@H]3[NH2+]CCCC[NH+]1CCN(C)CC1 ZINC000572639405 506018392 /nfs/dbraw/zinc/01/83/92/506018392.db2.gz FLOVMJALWSQJOT-NRFANRHFSA-N 2 0 354.542 3.471 20 0 FGADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N(C)CCC[NH+]1CCCC1 ZINC000282007358 498355084 /nfs/dbraw/zinc/35/50/84/498355084.db2.gz VRYQNRRKISXXSS-FPOVZHCZSA-N 2 0 372.557 3.024 20 0 FGADRP C[C@H](C(=O)N[C@@H](C)c1ccc2ccccc2c1)[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000569811161 506022022 /nfs/dbraw/zinc/02/20/22/506022022.db2.gz NUVDQCDXAHRXCR-DEVSCXNHSA-N 2 0 365.521 3.337 20 0 FGADRP [NH3+]CCc1ccccc1C(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000572657590 506022575 /nfs/dbraw/zinc/02/25/75/506022575.db2.gz OTOARVHVOLJNBB-UHFFFAOYSA-N 2 0 365.521 3.494 20 0 FGADRP CN(Cc1cn2c(n1)CCCC2)C(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000365347272 498417814 /nfs/dbraw/zinc/41/78/14/498417814.db2.gz SNDSFQWCPNZERF-UHFFFAOYSA-N 2 0 352.482 3.087 20 0 FGADRP C[C@@H](CC(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)C1CC[NH2+]CC1 ZINC000361730576 498423488 /nfs/dbraw/zinc/42/34/88/498423488.db2.gz YMYJKHVFOZLKNP-AZUAARDMSA-N 2 0 357.542 3.041 20 0 FGADRP C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000572705155 506033027 /nfs/dbraw/zinc/03/30/27/506033027.db2.gz QFGZQUKRXGEWPY-NQIIRXRSSA-N 2 0 372.557 3.474 20 0 FGADRP C[N@@H+]1CCCC12CCN(C(=O)[C@@H]1CCC[NH+](Cc3cccc(F)c3)C1)CC2 ZINC000361908696 498440487 /nfs/dbraw/zinc/44/04/87/498440487.db2.gz QJWQKCYXJVISAV-LJQANCHMSA-N 2 0 373.516 3.125 20 0 FGADRP C[NH+](C)CCCOc1cnccc1C[NH2+][C@H]1CCCOc2ccccc21 ZINC000290147376 498441874 /nfs/dbraw/zinc/44/18/74/498441874.db2.gz CLTCCJWEINDAPC-IBGZPJMESA-N 2 0 355.482 3.416 20 0 FGADRP C[NH+]1CCC(CC[NH2+]Cc2cccc(I)c2)CC1 ZINC000302500105 498495424 /nfs/dbraw/zinc/49/54/24/498495424.db2.gz AAKFBTUTBOLLOT-UHFFFAOYSA-N 2 0 358.267 3.113 20 0 FGADRP Cc1cc(N2CCC[C@H]([NH2+]C3CC[NH+](C4CCCCC4)CC3)C2)n(C)n1 ZINC000365587637 498544871 /nfs/dbraw/zinc/54/48/71/498544871.db2.gz QJCYJAODWRCACM-IBGZPJMESA-N 2 0 359.562 3.084 20 0 FGADRP C[C@H](C[NH2+][C@H](C)c1ccc(Oc2ccccc2)cn1)N1CC[NH+](C)CC1 ZINC000297842332 498585048 /nfs/dbraw/zinc/58/50/48/498585048.db2.gz SMNDMCAFIUXJTQ-QZTJIDSGSA-N 2 0 354.498 3.160 20 0 FGADRP CCCN(CC[NH+]1CCCCCC1)C(=O)NC1CC[NH+](CC(C)C)CC1 ZINC000576039220 506062035 /nfs/dbraw/zinc/06/20/35/506062035.db2.gz PGCVEHLSVZMQGJ-UHFFFAOYSA-N 2 0 366.594 3.404 20 0 FGADRP O=c1ccccn1C[C@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1ccccc1 ZINC000298012765 498637937 /nfs/dbraw/zinc/63/79/37/498637937.db2.gz CMGSLYSCSQBIBP-QFIPXVFZSA-N 2 0 374.488 3.243 20 0 FGADRP C[C@@H](C(=O)NCCC[N@H+](C)C1CCCCC1)N1CCc2ccccc2C1 ZINC000303492923 498681770 /nfs/dbraw/zinc/68/17/70/498681770.db2.gz SNIGISJTXSGTGZ-SFHVURJKSA-N 2 0 357.542 3.204 20 0 FGADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000303505554 498683668 /nfs/dbraw/zinc/68/36/68/498683668.db2.gz AZOJUXMUPBCFNU-RTWAWAEBSA-N 2 0 372.557 3.387 20 0 FGADRP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)c2ccccc2C[NH+](C)C)CC1 ZINC000365894341 498688347 /nfs/dbraw/zinc/68/83/47/498688347.db2.gz JKMWLIQVHHXKHO-KRWDZBQOSA-N 2 0 366.509 3.099 20 0 FGADRP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)NC[C@@H](c2ccc(Cl)cc2)[NH+](C)C)C1 ZINC000581869605 506079078 /nfs/dbraw/zinc/07/90/78/506079078.db2.gz PAVPXIWHDKWYKV-MSOLQXFVSA-N 2 0 366.937 3.067 20 0 FGADRP C[C@H](O)c1cnc(C[NH2+]CC2CC[NH+](Cc3ccccc3F)CC2)s1 ZINC000366024598 498740054 /nfs/dbraw/zinc/74/00/54/498740054.db2.gz SHKITACAQSZEHK-AWEZNQCLSA-N 2 0 363.502 3.337 20 0 FGADRP C/C(=C/c1ccccc1)C[NH+]1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000579058224 506083728 /nfs/dbraw/zinc/08/37/28/506083728.db2.gz XWIXGYKNNHLCQT-ZZEZOPTASA-N 2 0 369.553 3.404 20 0 FGADRP CCOc1cc(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)cc(Br)c1O ZINC000298384808 498751757 /nfs/dbraw/zinc/75/17/57/498751757.db2.gz DPLKOJHTXPUVKD-LBPRGKRZSA-N 2 0 369.303 3.127 20 0 FGADRP c1ccc(-c2noc(CCC[N@@H+]3C[C@@H]4C[NH+]5CCCC[C@H]5[C@H]4C3)n2)cc1 ZINC000363414147 498807085 /nfs/dbraw/zinc/80/70/85/498807085.db2.gz KPAQVXAYKKMNFQ-QYZOEREBSA-N 2 0 352.482 3.085 20 0 FGADRP C[C@@H](C[NH2+]C[C@@H](O)COc1c(Cl)cccc1Cl)C[NH+]1CCCC1 ZINC000320702072 498809742 /nfs/dbraw/zinc/80/97/42/498809742.db2.gz INZRMFZPCWVRKN-UONOGXRCSA-N 2 0 361.313 3.055 20 0 FGADRP CC[C@@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)[C@@H](O)c1c(F)cccc1F ZINC000298578592 498819638 /nfs/dbraw/zinc/81/96/38/498819638.db2.gz XPHZMNJECPCIDA-UYAOXDASSA-N 2 0 361.436 3.430 20 0 FGADRP OC1(C[NH2+]CC2Cc3ccccc3C2)CC[NH+](Cc2ccccc2)CC1 ZINC000570144372 506100960 /nfs/dbraw/zinc/10/09/60/506100960.db2.gz XPMBPIRBYBKDDM-UHFFFAOYSA-N 2 0 350.506 3.018 20 0 FGADRP CC(C)(C)OC(=O)NC[C@H]1CCC[C@H]1[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000366279037 498856059 /nfs/dbraw/zinc/85/60/59/498856059.db2.gz GHVQIXKYOLAFBD-AQEOSJORSA-N 2 0 351.535 3.286 20 0 FGADRP Cc1ccc([C@@H](C)[NH2+]Cc2c(C)nn(C)c2N2CCC[N@H+](C)CC2)s1 ZINC000366293228 498861873 /nfs/dbraw/zinc/86/18/73/498861873.db2.gz FHBHEJWRPVEDLR-MRXNPFEDSA-N 2 0 361.559 3.091 20 0 FGADRP C[N@@H+]1CC[C@H](CNC(=O)[C@H]([NH3+])c2ccccc2)[C@@H]1c1cccc(Cl)c1 ZINC000366332259 498877346 /nfs/dbraw/zinc/87/73/46/498877346.db2.gz YVTIRGPGCVJGTA-QRQLOZEOSA-N 2 0 357.885 3.149 20 0 FGADRP CN(CC1(C)CC[NH+](Cc2ccccc2)CC1)C(=O)CC1CC[NH2+]CC1 ZINC000366332268 498878137 /nfs/dbraw/zinc/87/81/37/498878137.db2.gz YXAKFCCQJGSVQB-UHFFFAOYSA-N 2 0 357.542 3.137 20 0 FGADRP Cc1cnccc1C[NH2+]Cc1cccc(OCC[N@@H+](C)C2CCOCC2)c1 ZINC000295253818 498956462 /nfs/dbraw/zinc/95/64/62/498956462.db2.gz ULZQXGATRQZJBS-UHFFFAOYSA-N 2 0 369.509 3.169 20 0 FGADRP Cc1cn2c(n1)[C@@H](C[NH2+][C@H](C)c1ccc(OCC[NH+](C)C)cc1)CCC2 ZINC000363754341 498976751 /nfs/dbraw/zinc/97/67/51/498976751.db2.gz BNTIMAJVLJUHHD-IEBWSBKVSA-N 2 0 356.514 3.360 20 0 FGADRP CCCC[N@H+](C)C[C@H](C)NC(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000576308730 506126522 /nfs/dbraw/zinc/12/65/22/506126522.db2.gz AUWWWNIXCSSTSC-SFHVURJKSA-N 2 0 360.546 3.071 20 0 FGADRP COc1cc2[nH+]ccc(N3C[C@@H]4CC[C@H]([NH3+])[C@H]4C3)c2cc1Br ZINC000333554787 499030546 /nfs/dbraw/zinc/03/05/46/499030546.db2.gz KATGWQDRZRWMDC-JKOKRWQUSA-N 2 0 362.271 3.179 20 0 FGADRP Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)c1cnn(-c2ccncc2)c1 ZINC000295500449 499035432 /nfs/dbraw/zinc/03/54/32/499035432.db2.gz QSKGFZYUZJTWMT-UHFFFAOYSA-N 2 0 361.449 3.424 20 0 FGADRP Cn1cc(C[NH+]2CCC(n3ncc4c3C[NH2+]C4)CC2)c(C2CCCCC2)n1 ZINC000333593583 499038441 /nfs/dbraw/zinc/03/84/41/499038441.db2.gz PKYRISKLEPJDSE-UHFFFAOYSA-N 2 0 368.529 3.105 20 0 FGADRP COc1cc(C[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)ccc1OC(=O)C1CC1 ZINC000366957104 499122083 /nfs/dbraw/zinc/12/20/83/499122083.db2.gz YTPSRPCBBRLXIJ-UHFFFAOYSA-N 2 0 372.509 3.318 20 0 FGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H]2CCC[C@@H](c3ncccc3C)C2)CC1 ZINC000366967716 499124168 /nfs/dbraw/zinc/12/41/68/499124168.db2.gz ZSOICKMSVQHBQE-NRSPTQNISA-N 2 0 358.574 3.279 20 0 FGADRP C[N@@H+]1CCC[C@H](CNC(=O)Nc2ccc(C[NH3+])cc2)[C@H]1c1cccs1 ZINC000576328711 506132087 /nfs/dbraw/zinc/13/20/87/506132087.db2.gz CTZNHRGHTSGRCR-QAPCUYQASA-N 2 0 358.511 3.411 20 0 FGADRP C[NH+]1CCN(C[C@@H]2CCC[N@H+](Cc3ccc(Cl)c4cccnc34)C2)CC1 ZINC000367117861 499150863 /nfs/dbraw/zinc/15/08/63/499150863.db2.gz UXTQRDSIOMGWHE-KRWDZBQOSA-N 2 0 372.944 3.348 20 0 FGADRP Cc1ccc2cc(C[N@H+]3CC[C@H](N4CC[NH+](C(C)C)CC4)C3)ccc2n1 ZINC000372686918 499161212 /nfs/dbraw/zinc/16/12/12/499161212.db2.gz ZRCDSGRKTBMKLN-NRFANRHFSA-N 2 0 352.526 3.144 20 0 FGADRP CC1(C)C[C@@H]([NH2+]C2CCN(CC(=O)N3CCCC3)CC2)c2ccccc21 ZINC000372780391 499174391 /nfs/dbraw/zinc/17/43/91/499174391.db2.gz KSPAZNVQTDJXFF-HXUWFJFHSA-N 2 0 355.526 3.085 20 0 FGADRP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCC(C(=O)Nc2ccc(Cl)cn2)CC1 ZINC000372783999 499174758 /nfs/dbraw/zinc/17/47/58/499174758.db2.gz BOWBDSOVTDXYMV-KRWDZBQOSA-N 2 0 364.921 3.260 20 0 FGADRP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCC(C(=O)Nc2ccc(Cl)cn2)CC1 ZINC000372784000 499174921 /nfs/dbraw/zinc/17/49/21/499174921.db2.gz BOWBDSOVTDXYMV-QGZVFWFLSA-N 2 0 364.921 3.260 20 0 FGADRP C[N@H+](C[C@H]1CC12CC[NH+](C[C@H](O)c1cc(F)ccc1F)CC2)C1CC1 ZINC000367310757 499178859 /nfs/dbraw/zinc/17/88/59/499178859.db2.gz UYPKAJDWMRDTAD-KUHUBIRLSA-N 2 0 350.453 3.195 20 0 FGADRP COc1cc(C[NH2+]Cc2ccc(OC3CC[NH+](C)CC3)cc2)ccc1O ZINC000367438486 499199021 /nfs/dbraw/zinc/19/90/21/499199021.db2.gz NGCZFODONAYIFR-UHFFFAOYSA-N 2 0 356.466 3.164 20 0 FGADRP C[C@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccccc1OC(F)(F)F ZINC000370624045 499236797 /nfs/dbraw/zinc/23/67/97/499236797.db2.gz GELMMSJIUWXGEX-LSDHHAIUSA-N 2 0 371.447 3.404 20 0 FGADRP C[C@@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccccc1OC(F)F ZINC000370634173 499237843 /nfs/dbraw/zinc/23/78/43/499237843.db2.gz KKLJJYDZZCSGOT-CABCVRRESA-N 2 0 353.457 3.107 20 0 FGADRP COc1ccccc1C[C@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)C(C)C ZINC000370636627 499238291 /nfs/dbraw/zinc/23/82/91/499238291.db2.gz RYNPMPWUUOZXOZ-CTNGQTDRSA-N 2 0 359.558 3.020 20 0 FGADRP COc1ccc(C[C@H](C)[NH2+]CCC2CC[NH+](C3CCN(C)CC3)CC2)cc1 ZINC000370661957 499241279 /nfs/dbraw/zinc/24/12/79/499241279.db2.gz XMQGTKMAPHXYJX-IBGZPJMESA-N 2 0 373.585 3.412 20 0 FGADRP C[C@@H]1C[N@H+](Cc2cccc(-c3ccccn3)c2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000370695619 499245092 /nfs/dbraw/zinc/24/50/92/499245092.db2.gz BUIDNBHTHKQNMC-XXBNENTESA-N 2 0 364.537 3.206 20 0 FGADRP [NH3+]Cc1ccc(C(=O)N2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)cc1 ZINC000370764424 499252425 /nfs/dbraw/zinc/25/24/25/499252425.db2.gz ZRKTWFIUMCPSJW-HSZRJFAPSA-N 2 0 363.505 3.274 20 0 FGADRP CC(C)[C@H]([NH3+])C(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000370776376 499253450 /nfs/dbraw/zinc/25/34/50/499253450.db2.gz ZZNXWGJCRLANFH-XIRDDKMYSA-N 2 0 371.447 3.188 20 0 FGADRP C[C@H]1C[N@H+](CCCCCOc2ccccc2)CCN1C1CC[NH+](C)CC1 ZINC000368050912 499259556 /nfs/dbraw/zinc/25/95/56/499259556.db2.gz IRQASCLTUXNGEG-FQEVSTJZSA-N 2 0 359.558 3.336 20 0 FGADRP Cc1ccc(C[NH+]2CCC(C[NH2+][C@@H](C)C(C)(C)n3cncn3)CC2)cc1 ZINC000368071978 499261314 /nfs/dbraw/zinc/26/13/14/499261314.db2.gz WCESHMYWXDKEMT-SFHVURJKSA-N 2 0 355.530 3.212 20 0 FGADRP CC[NH+](CC)Cc1cc([C@@H](C)[NH2+][C@H]2CCc3nc[nH]c3C2)ccc1OC ZINC000368100537 499264252 /nfs/dbraw/zinc/26/42/52/499264252.db2.gz HTOVSMOKMIGGOL-QAPCUYQASA-N 2 0 356.514 3.468 20 0 FGADRP COc1ccc([C@@H]2[C@H](C[NH2+][C@@H](C)C(C)(C)n3cncn3)CCCN2C)cc1 ZINC000368114917 499265887 /nfs/dbraw/zinc/26/58/87/499265887.db2.gz KMCLGCJVEJHZSP-XKGZKEIXSA-N 2 0 371.529 3.083 20 0 FGADRP C[C@H]1CCC[N@@H+]1C1CCN(C(=O)C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000370908657 499269837 /nfs/dbraw/zinc/26/98/37/499269837.db2.gz GVOZCXFOMFVAOT-IBGZPJMESA-N 2 0 369.553 3.374 20 0 FGADRP Brc1cnn(CCCC[NH2+]C2CC[NH+](C3CCCC3)CC2)c1 ZINC000368444246 499296705 /nfs/dbraw/zinc/29/67/05/499296705.db2.gz YKAFOKPZJUEQSN-UHFFFAOYSA-N 2 0 369.351 3.422 20 0 FGADRP C[C@H](CC[NH+](C)C)NC(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000371249924 499302584 /nfs/dbraw/zinc/30/25/84/499302584.db2.gz PXRAFQRPQDYWAR-LJQANCHMSA-N 2 0 372.557 3.024 20 0 FGADRP CC[N@@H+]1CC[C@@H](N(C)Cc2nc3c(s2)C[NH+](C(C)C)CC3)[C@H](C)C1 ZINC000368610770 499313449 /nfs/dbraw/zinc/31/34/49/499313449.db2.gz DKHQPSYNCOCASB-NVXWUHKLSA-N 2 0 350.576 3.072 20 0 FGADRP Cc1cc(N2CCC([N@H+](C)C[C@@H](O)c3ccc(F)cc3C)CC2)nc(C)n1 ZINC000371884599 499375395 /nfs/dbraw/zinc/37/53/95/499375395.db2.gz SPBFKVMBBBEBLQ-HXUWFJFHSA-N 2 0 372.488 3.175 20 0 FGADRP C[NH+]1CCN(C[C@@H]2CCC[N@H+](Cc3c(Cl)ccc4cccnc43)C2)CC1 ZINC000372369298 499425485 /nfs/dbraw/zinc/42/54/85/499425485.db2.gz MFZBQRQQNDFNCP-KRWDZBQOSA-N 2 0 372.944 3.348 20 0 FGADRP C[C@H]([NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000576388121 506146248 /nfs/dbraw/zinc/14/62/48/506146248.db2.gz WDNDWZLYXLBTLU-ZDUSSCGKSA-N 2 0 369.431 3.099 20 0 FGADRP Cc1ccc(NC(=O)N2CCCC23CC[NH+](C)CC3)c(OCC[NH+](C)C)c1 ZINC000372442533 499435327 /nfs/dbraw/zinc/43/53/27/499435327.db2.gz RFIOUIFINHPYOH-UHFFFAOYSA-N 2 0 374.529 3.028 20 0 FGADRP CO[C@H](c1ccccc1)[C@H](C)[NH2+]C[C@H]1CCCN(C)[C@H]1c1cnn(C)c1 ZINC000373366185 499465607 /nfs/dbraw/zinc/46/56/07/499465607.db2.gz PYUACQPCKLJSEM-QAKNJHSXSA-N 2 0 356.514 3.169 20 0 FGADRP C[C@H]([NH2+][C@H]1CCN(c2ncccc2F)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000373448435 499470448 /nfs/dbraw/zinc/47/04/48/499470448.db2.gz LEUAFKXRJNTWNL-SXLOBPIMSA-N 2 0 368.500 3.300 20 0 FGADRP COc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CCC[C@H]1N1CCOCC1)CCS2 ZINC000373637914 499481251 /nfs/dbraw/zinc/48/12/51/499481251.db2.gz JZNQGPUTCSPIIC-KFKAGJAMSA-N 2 0 362.539 3.323 20 0 FGADRP COc1ccc2c(c1)OCC[C@@H]2[NH2+][C@H]1CCN(Cc2ccccn2)C[C@@H]1C ZINC000378183666 499488215 /nfs/dbraw/zinc/48/82/15/499488215.db2.gz JKDSRKCUHHDAQL-NDXORKPFSA-N 2 0 367.493 3.414 20 0 FGADRP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[C@H](C)C2CC[NH2+]CC2)CC1 ZINC000378202846 499490066 /nfs/dbraw/zinc/49/00/66/499490066.db2.gz OYCRDJZPLQDEER-IBGZPJMESA-N 2 0 357.542 3.055 20 0 FGADRP CC[C@H]1CN(C(=O)c2ccn3c(C)cnc3c2)CCN1Cc1ccccc1 ZINC000573218439 506147157 /nfs/dbraw/zinc/14/71/57/506147157.db2.gz GNTNIPBOEBKIAT-FQEVSTJZSA-N 2 0 362.477 3.379 20 0 FGADRP C(CC[NH+]1CC[C@]2(C1)CCCOC2)CC[N@@H+]1CC[C@]2(C1)CCCOC2 ZINC000375274989 499502222 /nfs/dbraw/zinc/50/22/22/499502222.db2.gz BUKIUBQVARXNJC-SFTDATJTSA-N 2 0 350.547 3.162 20 0 FGADRP C[C@H](NC(=O)c1cccc(C[NH+](C)C)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000378490303 499523461 /nfs/dbraw/zinc/52/34/61/499523461.db2.gz DKZLRKBMFZJVCE-PGRDOPGGSA-N 2 0 365.521 3.389 20 0 FGADRP CC(=O)N1CC[C@@H]([NH2+]Cc2cccc(C[NH+](C)C)c2)c2ccccc2C1 ZINC000378499133 499524627 /nfs/dbraw/zinc/52/46/27/499524627.db2.gz RUBGZIMBSQNWDT-JOCHJYFZSA-N 2 0 351.494 3.331 20 0 FGADRP CC[NH+](CC)Cc1ccc(C[NH2+]C2CCN(c3nnc(C)s3)CC2)cc1 ZINC000378632261 499539365 /nfs/dbraw/zinc/53/93/65/499539365.db2.gz LCWOKXHBOPJASM-UHFFFAOYSA-N 2 0 373.570 3.447 20 0 FGADRP COc1cc(C)nc(CN2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000389007183 499552032 /nfs/dbraw/zinc/55/20/32/499552032.db2.gz VZLBREKRXCXQEN-PMACEKPBSA-N 2 0 351.494 3.353 20 0 FGADRP COc1ccc([C@H](C)[NH2+]CCN2CC[NH+](Cc3ccccc3)CC2)cc1F ZINC000390908999 499556283 /nfs/dbraw/zinc/55/62/83/499556283.db2.gz NASNLRRKTGLBSE-SFHVURJKSA-N 2 0 371.500 3.303 20 0 FGADRP C[C@H]([NH2+]C[C@H](O)COc1ccc(-c2ccccc2)cc1)C1=CC[N@H+](C)CC1 ZINC000573238945 506151204 /nfs/dbraw/zinc/15/12/04/506151204.db2.gz FKDCPXWUBQWAGX-AVRDEDQJSA-N 2 0 366.505 3.333 20 0 FGADRP COc1ccc2cc(C[N@@H+]3CC[C@@H](N4CC[NH+](C)CC4)[C@@H](C)C3)ccc2c1 ZINC000377246761 499673717 /nfs/dbraw/zinc/67/37/17/499673717.db2.gz WIYXZDRHLZFZMI-FDDCHVKYSA-N 2 0 367.537 3.306 20 0 FGADRP Cc1ncsc1CC[N@@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000377267232 499675324 /nfs/dbraw/zinc/67/53/24/499675324.db2.gz ODOFBLXSMNWPQF-UHFFFAOYSA-N 3 0 364.603 3.122 20 0 FGADRP CC(C)c1ccc2c(c1)[C@H]([NH2+]C1CCN(CCN3CCOCC3)CC1)CC2 ZINC000377310840 499678893 /nfs/dbraw/zinc/67/88/93/499678893.db2.gz XHRDPWKRBGWIQY-HSZRJFAPSA-N 2 0 371.569 3.184 20 0 FGADRP C[NH+](C)CCCOc1cnccc1C[NH2+][C@@H]1CCCC[C@@H]1[C@H]1CCOC1 ZINC000377562333 499705024 /nfs/dbraw/zinc/70/50/24/499705024.db2.gz IYQZKAXCNPAFLP-XUVXKRRUSA-N 2 0 361.530 3.097 20 0 FGADRP c1cc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)ccc1C[NH+]1CCCCC1 ZINC000411175901 499706843 /nfs/dbraw/zinc/70/68/43/499706843.db2.gz VJMLFEZLQBSGPX-UHFFFAOYSA-N 3 0 371.569 3.217 20 0 FGADRP CC(CC[NH+](C)[C@@H]1CCN(C)[C@H](C)C1)CC[N@H+](C)[C@@H]1CCN(C)[C@H](C)C1 ZINC000411331399 499726615 /nfs/dbraw/zinc/72/66/15/499726615.db2.gz MMYCYJYKABSOMU-GXRSIYKFSA-N 2 0 366.638 3.232 20 0 FGADRP CC(C)[NH+]1CCC(NC(=O)C[NH2+][C@@H](c2ccccc2)C2CCCC2)CC1 ZINC000411365255 499730011 /nfs/dbraw/zinc/73/00/11/499730011.db2.gz BZYRITYPRLCJBM-QFIPXVFZSA-N 2 0 357.542 3.497 20 0 FGADRP O=C(NCCC[NH+]1CCCCC1)C1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000411398918 499734544 /nfs/dbraw/zinc/73/45/44/499734544.db2.gz PWOYHZFAZKZMBH-XFFZJAGNSA-N 2 0 369.553 3.404 20 0 FGADRP c1cn(C[C@H]2CCC[N@H+](Cc3ccc(C[NH+]4CCCCC4)cc3)C2)nn1 ZINC000411399969 499734773 /nfs/dbraw/zinc/73/47/73/499734773.db2.gz SMYUFQZUICBMTE-NRFANRHFSA-N 2 0 353.514 3.176 20 0 FGADRP CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)Nc1ccc(N2CCC(C[NH+](C)C)CC2)cc1 ZINC000377817208 499738318 /nfs/dbraw/zinc/73/83/18/499738318.db2.gz QGPFYNLKSRGXBY-SFTDATJTSA-N 2 0 372.557 3.037 20 0 FGADRP CC[NH+]1CCC(NC(=O)C[NH2+][C@@H](c2ccc(Cl)cc2F)C(C)C)CC1 ZINC000411513224 499749958 /nfs/dbraw/zinc/74/99/58/499749958.db2.gz UJNRAFZNMAPMBB-LJQANCHMSA-N 2 0 369.912 3.366 20 0 FGADRP CC(C)[NH+]1CCC(NC(=O)C[NH2+]C2(Cc3ccccc3)CCCC2)CC1 ZINC000411528256 499751553 /nfs/dbraw/zinc/75/15/53/499751553.db2.gz RUHRPHCYYQLTAB-UHFFFAOYSA-N 2 0 357.542 3.121 20 0 FGADRP c1ncn(CC2CC[NH+](Cc3ccc(C[NH+]4CCCCC4)cc3)CC2)n1 ZINC000411564256 499763669 /nfs/dbraw/zinc/76/36/69/499763669.db2.gz FGSDDJGMRSJNID-UHFFFAOYSA-N 2 0 353.514 3.176 20 0 FGADRP C[C@@H]([NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1)c1ccc2c(c1)CCCC2 ZINC000414187331 499766985 /nfs/dbraw/zinc/76/69/85/499766985.db2.gz IHVSBYRFTLADMX-LJQANCHMSA-N 2 0 371.569 3.013 20 0 FGADRP CC[C@@H]([NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1)c1ccc(Cl)cc1 ZINC000414196294 499767885 /nfs/dbraw/zinc/76/78/85/499767885.db2.gz ONJBMMGFERYJQD-LJQANCHMSA-N 2 0 365.949 3.177 20 0 FGADRP C[C@H]1C[N@@H+](C2CCOCC2)CCN1Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411655506 499773704 /nfs/dbraw/zinc/77/37/04/499773704.db2.gz KPSFNMKHGCJNJQ-FQEVSTJZSA-N 2 0 371.569 3.358 20 0 FGADRP CC1(C)CCC[C@@H]([NH2+]Cc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)C1 ZINC000414320202 499777433 /nfs/dbraw/zinc/77/74/33/499777433.db2.gz BLIDZXCKBPEDSV-HXUWFJFHSA-N 2 0 357.542 3.442 20 0 FGADRP CC(C)(C)[C@@H]1CC[C@H]1[NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000414342940 499779278 /nfs/dbraw/zinc/77/92/78/499779278.db2.gz PVFIZMNKHWAHLG-WOJBJXKFSA-N 2 0 357.542 3.298 20 0 FGADRP CCN1C[C@@H](C)[NH+](CC[C@H](C)CC[N@@H+]2[C@H](C)CN(CC)C[C@@H]2C)[C@H](C)C1 ZINC000411726762 499783698 /nfs/dbraw/zinc/78/36/98/499783698.db2.gz ZBYUDFPQVAXQHU-QMCAAQAGSA-N 2 0 366.638 3.232 20 0 FGADRP COC(=O)c1cc(CN2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)cs1 ZINC000411749209 499785998 /nfs/dbraw/zinc/78/59/98/499785998.db2.gz VBYHNOABTOSMQN-OALUTQOASA-N 2 0 370.518 3.489 20 0 FGADRP C[C@H](c1ccccc1)[C@@H]([NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1)C(N)=O ZINC000411756646 499787021 /nfs/dbraw/zinc/78/70/21/499787021.db2.gz KECQLHCGISNHHG-XMSQKQJNSA-N 2 0 365.521 3.420 20 0 FGADRP OC[C@]1([C@@H]([NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)C2CC2)CCCO1 ZINC000411775498 499789328 /nfs/dbraw/zinc/78/93/28/499789328.db2.gz XXUOURLXODRYAV-VXKWHMMOSA-N 2 0 358.526 3.082 20 0 FGADRP CSc1ccccc1OC[C@@H](O)C[N@H+](CC[C@@H]1CCC[NH+]1C)C(C)C ZINC000411986580 499810068 /nfs/dbraw/zinc/81/00/68/499810068.db2.gz PPIGSJUAHFCDLQ-ROUUACIJSA-N 2 0 366.571 3.343 20 0 FGADRP CC(C)(C)c1nn(Cc2ccccc2)cc1C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000414666628 499818679 /nfs/dbraw/zinc/81/86/79/499818679.db2.gz GLPFTXZZDODVHG-SXLOBPIMSA-N 2 0 352.526 3.398 20 0 FGADRP C[C@@H]1C[C@H](C[N@@H+]2CCO[C@H](c3ccc(Br)cc3)C2)CC[NH2+]1 ZINC000414747865 499826151 /nfs/dbraw/zinc/82/61/51/499826151.db2.gz NIFYZVBFJKASFH-CPUCHLNUSA-N 2 0 353.304 3.211 20 0 FGADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(C[NH+]2CCCCC2)c1 ZINC000412177760 499831162 /nfs/dbraw/zinc/83/11/62/499831162.db2.gz MCPUJUMZTAOZBR-RTWAWAEBSA-N 2 0 355.526 3.371 20 0 FGADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(Br)c(Br)c1 ZINC000414795715 499832182 /nfs/dbraw/zinc/83/21/82/499832182.db2.gz HAAKFNVPLQQYAN-GWCFXTLKSA-N 2 0 362.109 3.429 20 0 FGADRP C[C@H]([NH3+])CC[NH2+][C@@H](C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000414817304 499834111 /nfs/dbraw/zinc/83/41/11/499834111.db2.gz ANFBWZKQLKCCAW-UWVGGRQHSA-N 2 0 351.800 3.403 20 0 FGADRP FC(F)(F)Oc1ccc(C[NH2+]CC[C@H]2CC[NH2+]C2)cc1Br ZINC000414830313 499835397 /nfs/dbraw/zinc/83/53/97/499835397.db2.gz LVMKVHONMLCSKH-SNVBAGLBSA-N 2 0 367.209 3.437 20 0 FGADRP C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000414834816 499835892 /nfs/dbraw/zinc/83/58/92/499835892.db2.gz HVOSIBGLRZYRIY-KGLIPLIRSA-N 2 0 368.319 3.146 20 0 FGADRP CCCOc1c(Br)cc(C[NH2+]CC[C@H]2CC[NH2+]C2)cc1OC ZINC000414839889 499836495 /nfs/dbraw/zinc/83/64/95/499836495.db2.gz WSRXCYHQFJOMSM-CYBMUJFWSA-N 2 0 371.319 3.336 20 0 FGADRP C[NH2+]C[C@@H](C)C[NH2+]Cc1ccc(OC(F)(F)F)c(Br)c1 ZINC000414852272 499837951 /nfs/dbraw/zinc/83/79/51/499837951.db2.gz QPCZTFSJFHSZQS-SECBINFHSA-N 2 0 355.198 3.293 20 0 FGADRP C[C@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[NH2+]CCCC[NH3+] ZINC000414915306 499844180 /nfs/dbraw/zinc/84/41/80/499844180.db2.gz YZDINKCSLMKKLQ-SNVBAGLBSA-N 2 0 351.800 3.404 20 0 FGADRP C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)c1cccc(C[NH+]2CCCCC2)c1 ZINC000412343321 499846805 /nfs/dbraw/zinc/84/68/05/499846805.db2.gz ICFYJNSDYSLXPR-NQIIRXRSSA-N 2 0 355.526 3.371 20 0 FGADRP [NH3+]C[C@H]1CCCC[C@H]1NC(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000414967979 499849850 /nfs/dbraw/zinc/84/98/50/499849850.db2.gz CGESWSHMBKPIKA-UYAOXDASSA-N 2 0 358.530 3.354 20 0 FGADRP CCOc1cc(C[NH2+]CCC[C@H]2CCC[NH2+]2)cc(Br)c1OC ZINC000414971415 499850030 /nfs/dbraw/zinc/85/00/30/499850030.db2.gz LDMFCSYVXOPQSL-AWEZNQCLSA-N 2 0 371.319 3.478 20 0 FGADRP COc1ccc(OCc2nc(C[NH2+]CCC[C@@H]3CCC[NH2+]3)cs2)cc1 ZINC000414976426 499850658 /nfs/dbraw/zinc/85/06/58/499850658.db2.gz PYQRVVGLULTMEK-OAHLLOKOSA-N 2 0 361.511 3.353 20 0 FGADRP COc1cc(Br)c(C[NH2+]C[C@@H]2CCC[C@@H]([NH3+])C2)c(OC)c1 ZINC000414986904 499851862 /nfs/dbraw/zinc/85/18/62/499851862.db2.gz CVGYYJHAGRLMCJ-VXGBXAGGSA-N 2 0 357.292 3.073 20 0 FGADRP C[C@@H](CCCC[NH3+])[NH2+]Cc1cnn(-c2ccc(Br)cc2)c1 ZINC000415017199 499855321 /nfs/dbraw/zinc/85/53/21/499855321.db2.gz RJZHXPLGPHEAEQ-ZDUSSCGKSA-N 2 0 351.292 3.242 20 0 FGADRP Cc1ccc(-c2ncc(C[NH2+]C3CCC(N4CC[NH2+]CC4)CC3)s2)o1 ZINC000415050658 499858369 /nfs/dbraw/zinc/85/83/69/499858369.db2.gz IYRBJQQFECRMGK-UHFFFAOYSA-N 2 0 360.527 3.018 20 0 FGADRP Cc1ccc(C[NH2+]C2CCC([NH+]3CCNCC3)CC2)cc1Br ZINC000415054466 499858904 /nfs/dbraw/zinc/85/89/04/499858904.db2.gz NNEUERSPUMPAOT-UHFFFAOYSA-N 2 0 366.347 3.064 20 0 FGADRP CCOc1cc(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)ccc1OCC(F)(F)F ZINC000415101894 499863581 /nfs/dbraw/zinc/86/35/81/499863581.db2.gz BUHQDQOOQYTXNK-UKRRQHHQSA-N 2 0 360.420 3.443 20 0 FGADRP C[C@H](C[N@@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1)c1ccc(C(F)(F)F)cc1 ZINC000415127854 499867432 /nfs/dbraw/zinc/86/74/32/499867432.db2.gz NJWGEQCQGMROBG-DYVFJYSZSA-N 2 0 367.419 3.196 20 0 FGADRP Cc1ccc(-c2ncc(C[NH+]3CCC([C@H]4C[C@H]([NH3+])CCO4)CC3)s2)o1 ZINC000415130570 499867670 /nfs/dbraw/zinc/86/76/70/499867670.db2.gz XHCRXEQMGBQMRT-CRAIPNDOSA-N 2 0 361.511 3.430 20 0 FGADRP CCCOc1cc(C[NH+]2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)ccc1OC ZINC000415130283 499867720 /nfs/dbraw/zinc/86/77/20/499867720.db2.gz WSJVIPKRMISRAC-UYAOXDASSA-N 2 0 362.514 3.202 20 0 FGADRP CC[NH+](CC)CCOc1ccc(NC(=O)N2CCCC[C@H]2[C@@H](C)[NH3+])cc1 ZINC000415172996 499873256 /nfs/dbraw/zinc/87/32/56/499873256.db2.gz AXEWXYYCZSGUDH-APWZRJJASA-N 2 0 362.518 3.141 20 0 FGADRP C[C@@H](CCCC[NH3+])NC(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000415306771 499885054 /nfs/dbraw/zinc/88/50/54/499885054.db2.gz IIYFMSSAWRFNJC-KRWDZBQOSA-N 2 0 362.518 3.190 20 0 FGADRP C[NH+](C)CCc1ccccc1NC(=O)N1CCC([C@@H]2[NH2+]CC2(C)C)CC1 ZINC000415580769 499903710 /nfs/dbraw/zinc/90/37/10/499903710.db2.gz RRICSBJMJFGCPO-IBGZPJMESA-N 2 0 358.530 3.033 20 0 FGADRP C[C@@H](CCNC(=O)Nc1ccc2c(c1)C[NH2+]CC2)[N@H+](C)Cc1ccccc1 ZINC000415884677 499924348 /nfs/dbraw/zinc/92/43/48/499924348.db2.gz QNTARFOSRMVTHE-KRWDZBQOSA-N 2 0 366.509 3.364 20 0 FGADRP C[NH2+]Cc1ccccc1NC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C ZINC000415899132 499925747 /nfs/dbraw/zinc/92/57/47/499925747.db2.gz JATZQHMUTHAVDL-APWZRJJASA-N 2 0 352.482 3.191 20 0 FGADRP C[NH2+]Cc1cccc(NC(=O)N(CC[NH+](C)C)Cc2cccc(C)c2)c1 ZINC000415922840 499928745 /nfs/dbraw/zinc/92/87/45/499928745.db2.gz UXVNTOFFUQHROS-UHFFFAOYSA-N 2 0 354.498 3.310 20 0 FGADRP C[NH2+]Cc1cccc(NC(=O)N[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000415935986 499930561 /nfs/dbraw/zinc/93/05/61/499930561.db2.gz UTIPISIIULLJFF-JXFKEZNVSA-N 2 0 352.482 3.048 20 0 FGADRP C[NH2+]Cc1cccc(NC(=O)N[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)c1 ZINC000415942215 499931219 /nfs/dbraw/zinc/93/12/19/499931219.db2.gz IRMNUNWPLVADFA-OXJNMPFZSA-N 2 0 352.482 3.191 20 0 FGADRP C[NH2+]Cc1ccc(NC(=O)N(CC[NH+](C)C)Cc2cccc(F)c2)cc1 ZINC000415977822 499936491 /nfs/dbraw/zinc/93/64/91/499936491.db2.gz YVQPQZOHWWKLHI-UHFFFAOYSA-N 2 0 358.461 3.141 20 0 FGADRP C[NH2+]Cc1ccc(NC(=O)N[C@H](C[NH+](C)C)c2ccc(Cl)cc2)cc1 ZINC000415987094 499937695 /nfs/dbraw/zinc/93/76/95/499937695.db2.gz WQRUMHFGNXSHPW-GOSISDBHSA-N 2 0 360.889 3.484 20 0 FGADRP C[NH2+]Cc1ccc(NC(=O)NC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000415989990 499938420 /nfs/dbraw/zinc/93/84/20/499938420.db2.gz MOXUNQWVUAGDJE-UHFFFAOYSA-N 2 0 352.482 3.192 20 0 FGADRP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)N[C@H](CCC[NH3+])c2ccccc2)C1 ZINC000417045978 499956943 /nfs/dbraw/zinc/95/69/43/499956943.db2.gz YXUCCIRVIJKHJY-QWFCFKBJSA-N 2 0 360.546 3.134 20 0 FGADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)N2CCCC[C@H]2[C@H]2CCC[NH2+]C2)C1 ZINC000417050380 499957885 /nfs/dbraw/zinc/95/78/85/499957885.db2.gz WUCHRMJCNWODRV-AABGKKOBSA-N 2 0 364.578 3.062 20 0 FGADRP C[C@H](CNC(=O)N[C@@H](C[NH3+])c1ccc2ccccc2c1)C[NH+]1CCCCC1 ZINC000417202172 500003968 /nfs/dbraw/zinc/00/39/68/500003968.db2.gz ZGFLVNHSQOTQAI-UTKZUKDTSA-N 2 0 368.525 3.261 20 0 FGADRP Cc1c(Cl)c(C[NH2+]CC2CC[NH+](Cc3cccs3)CC2)nn1C ZINC000421319628 500016382 /nfs/dbraw/zinc/01/63/82/500016382.db2.gz AOHMNZZHKPNRJK-UHFFFAOYSA-N 2 0 352.935 3.445 20 0 FGADRP C[C@H]([NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1)[C@@H]1C[C@H]1c1cccs1 ZINC000417318974 500039042 /nfs/dbraw/zinc/03/90/42/500039042.db2.gz ZYAMTVQJOBSTKO-ZYSHUDEJSA-N 2 0 371.550 3.321 20 0 FGADRP COc1cc2[nH+]ccc(N3CC[NH+](C4CC4)CC3)c2cc1Br ZINC000425213273 500045062 /nfs/dbraw/zinc/04/50/62/500045062.db2.gz GQMNLDJIYZLBRC-UHFFFAOYSA-N 2 0 362.271 3.290 20 0 FGADRP CC[N@H+](C)Cc1cccc(CNC(=O)N2CCCC[C@@H]2[C@H]2CCC[NH2+]C2)c1 ZINC000417398906 500061166 /nfs/dbraw/zinc/06/11/66/500061166.db2.gz IGTBJSNJVUOCDI-LEWJYISDSA-N 2 0 372.557 3.202 20 0 FGADRP COCC(C)(C)[NH+]1CCN(CC(C)(C)C[N@H+](C)Cc2ccccc2)CC1 ZINC000425347878 500080674 /nfs/dbraw/zinc/08/06/74/500080674.db2.gz IQGZLFPRJSQJKP-UHFFFAOYSA-N 2 0 361.574 3.187 20 0 FGADRP CC1CC[NH+](Cc2cccc(CNC(=O)NCCC[C@@H]3CCC[NH2+]3)c2)CC1 ZINC000417466391 500082211 /nfs/dbraw/zinc/08/22/11/500082211.db2.gz KDMFKRDFZFVZKM-NRFANRHFSA-N 2 0 372.557 3.250 20 0 FGADRP C[C@H]([NH3+])c1ccc(CNC(=O)[C@H]2CCC[N@H+](Cc3cccc(F)c3)C2)cc1 ZINC000429522624 500092920 /nfs/dbraw/zinc/09/29/20/500092920.db2.gz PVCMHJACPZFDRM-JXFKEZNVSA-N 2 0 369.484 3.374 20 0 FGADRP C[C@H](CCC[NH3+])NC(=O)NC[C@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1 ZINC000417581602 500116615 /nfs/dbraw/zinc/11/66/15/500116615.db2.gz TXHDXMGUFBAEPQ-CRAIPNDOSA-N 2 0 366.937 3.121 20 0 FGADRP C[N@@H+]1CCN(C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)C2(CCCCC2)C1 ZINC000429682240 500123435 /nfs/dbraw/zinc/12/34/35/500123435.db2.gz FZVCGJQOGKQEEO-QFIPXVFZSA-N 2 0 371.569 3.228 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N1C[C@@H](C[NH3+])C[C@H]1C)c1ccccc1Cl ZINC000416831068 500132298 /nfs/dbraw/zinc/13/22/98/500132298.db2.gz HFHJQOFSHLZGJM-IIDMSEBBSA-N 2 0 366.937 3.102 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N[C@H]1CC[NH2+]C[C@H]1C)c1ccccc1Cl ZINC000416842298 500135228 /nfs/dbraw/zinc/13/52/28/500135228.db2.gz NBLRGLMEURWCGV-FHLIZLRMSA-N 2 0 366.937 3.020 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N1CC[C@H]([C@@H](C)[NH3+])C1)c1ccccc1Cl ZINC000416842237 500135478 /nfs/dbraw/zinc/13/54/78/500135478.db2.gz MXZVOPACQGOQSL-RVKKMQEKSA-N 2 0 366.937 3.102 20 0 FGADRP [NH3+]CCC[C@@H](NC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000416845412 500137152 /nfs/dbraw/zinc/13/71/52/500137152.db2.gz RRZCPDNDIFNFKP-NHCUHLMSSA-N 2 0 366.509 3.040 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N1CCC([C@H]2CC[NH2+]C2)CC1)c1ccccc1 ZINC000416849251 500137902 /nfs/dbraw/zinc/13/79/02/500137902.db2.gz XRABOTVTYAYCIL-LEWJYISDSA-N 2 0 372.557 3.101 20 0 FGADRP C[NH+](C)Cc1cc(CNC(=O)N[C@@H](CCC[NH3+])c2ccccc2)ccc1F ZINC000417656216 500139979 /nfs/dbraw/zinc/13/99/79/500139979.db2.gz FYQDVOMLLSHISL-FQEVSTJZSA-N 2 0 372.488 3.167 20 0 FGADRP [NH3+][C@@H]1CCC[C@H](CNC(=O)NCc2ccccc2C[NH+]2CCCCCC2)C1 ZINC000579452399 506178289 /nfs/dbraw/zinc/17/82/89/506178289.db2.gz BOWOHYSZKONEIL-GHTZIAJQSA-N 2 0 372.557 3.379 20 0 FGADRP C[C@H]([NH2+]C1(CNC(=O)N[C@@H]2CC[NH2+][C@H](C)C2)CCCC1)c1ccccc1 ZINC000417696168 500150846 /nfs/dbraw/zinc/15/08/46/500150846.db2.gz BZVSWGZCVPGMOG-ZIFCJYIRSA-N 2 0 358.530 3.090 20 0 FGADRP C[NH2+]CCC1CCN(C(=O)NCC(C)(C)[NH2+][C@@H](C)c2ccccc2)CC1 ZINC000417704750 500153190 /nfs/dbraw/zinc/15/31/90/500153190.db2.gz MOYLZUWGBNLRLR-KRWDZBQOSA-N 2 0 360.546 3.147 20 0 FGADRP CC[NH+](CC)C[C@@H]1CCCC[C@H]1N[C@@H](C)c1ncc(C(=O)OC)s1 ZINC000414117904 500158028 /nfs/dbraw/zinc/15/80/28/500158028.db2.gz SZHZOLVFGJXJLU-SOUVJXGZSA-N 2 0 353.532 3.481 20 0 FGADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H](c2ccc(OC)cc2F)C(C)C)CC1 ZINC000421822667 500159495 /nfs/dbraw/zinc/15/94/95/500159495.db2.gz XQMYAXVIHNLZHF-OXQOHEQNSA-N 2 0 351.510 3.147 20 0 FGADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H](c2ccc(OC)cc2F)C(C)C)CC1 ZINC000421822665 500159610 /nfs/dbraw/zinc/15/96/10/500159610.db2.gz XQMYAXVIHNLZHF-JXFKEZNVSA-N 2 0 351.510 3.147 20 0 FGADRP C[C@@H]([NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1)c1ccncc1Cl ZINC000421828397 500161176 /nfs/dbraw/zinc/16/11/76/500161176.db2.gz CNXCFXDYCDNSKB-CQSZACIVSA-N 2 0 366.937 3.012 20 0 FGADRP COC1([C@@H](C)[NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)CCCCC1 ZINC000421828811 500161343 /nfs/dbraw/zinc/16/13/43/500161343.db2.gz FKCRMMGGJXKTRK-GOSISDBHSA-N 2 0 360.542 3.471 20 0 FGADRP CCC(CC)[C@H](CNC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1)[NH+]1CCCC1 ZINC000416942607 500162903 /nfs/dbraw/zinc/16/29/03/500162903.db2.gz BLWGFXUNCBZLKQ-HBMCJLEFSA-N 2 0 372.557 3.023 20 0 FGADRP CCCN1C[C@@H](C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1=O ZINC000421874842 500167677 /nfs/dbraw/zinc/16/76/77/500167677.db2.gz IPGRFTHKCTYBQH-MXEMCNAFSA-N 2 0 355.526 3.030 20 0 FGADRP C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)NCCC[C@@H]3CCC[NH2+]3)cc2)C1 ZINC000416966270 500168710 /nfs/dbraw/zinc/16/87/10/500168710.db2.gz FMJVPSODGIFNSN-NQIIRXRSSA-N 2 0 372.557 3.250 20 0 FGADRP C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)NCC[C@@H]3CCC[NH2+]C3)cc2)C1 ZINC000416970204 500170070 /nfs/dbraw/zinc/17/00/70/500170070.db2.gz NCJZZPPMLKBUHY-OALUTQOASA-N 2 0 372.557 3.107 20 0 FGADRP C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)NCCC3=CC[NH2+]CC3)cc2)C1 ZINC000416969991 500170247 /nfs/dbraw/zinc/17/02/47/500170247.db2.gz MJQVCTZKDFCXCC-SFHVURJKSA-N 2 0 370.541 3.028 20 0 FGADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000416970556 500170538 /nfs/dbraw/zinc/17/05/38/500170538.db2.gz NYYUPILFTZNANH-OAQYLSRUSA-N 2 0 372.557 3.200 20 0 FGADRP C[C@@H]([NH3+])[C@H]1CCCN(C(=O)NCc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)C1 ZINC000416971864 500170654 /nfs/dbraw/zinc/17/06/54/500170654.db2.gz QKTTVEYQPVLOFT-OPYAIIAOSA-N 2 0 372.557 3.187 20 0 FGADRP C[C@H]([NH3+])[C@H]1CCCN(C(=O)NCc2ccc(C[NH+]3CCC(C)CC3)cc2)C1 ZINC000416973341 500171537 /nfs/dbraw/zinc/17/15/37/500171537.db2.gz JSGMFVDMTUBGRH-RXVVDRJESA-N 2 0 372.557 3.187 20 0 FGADRP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)NCC[C@H]1CCC[NH2+]1 ZINC000416980387 500173963 /nfs/dbraw/zinc/17/39/63/500173963.db2.gz TXZNFWNIMSTDBJ-FXAWDEMLSA-N 2 0 358.530 3.002 20 0 FGADRP [NH3+]CCC[C@H](NC(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1)c1ccccc1 ZINC000417802388 500175163 /nfs/dbraw/zinc/17/51/63/500175163.db2.gz WYAJEGNTWNFPTH-UXHICEINSA-N 2 0 358.530 3.030 20 0 FGADRP CCCN(C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)C1CC[NH2+]CC1 ZINC000417826346 500180090 /nfs/dbraw/zinc/18/00/90/500180090.db2.gz CECLRQHSPDETAW-ICSRJNTNSA-N 2 0 372.557 3.213 20 0 FGADRP C[C@H]1CCC[N@H+](Cc2ccccc2C[NH2+]CCC(=O)Nc2cccnc2)C1 ZINC000579464546 506181378 /nfs/dbraw/zinc/18/13/78/506181378.db2.gz YRAXHOXIVRVYLU-SFHVURJKSA-N 2 0 366.509 3.432 20 0 FGADRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)N[C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000417896073 500193968 /nfs/dbraw/zinc/19/39/68/500193968.db2.gz PBVFGBQCCKHAHY-IZZBFERCSA-N 2 0 374.573 3.158 20 0 FGADRP CCC1(CNC(=O)N[C@@H](C)CCCC[NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000417927693 500199623 /nfs/dbraw/zinc/19/96/23/500199623.db2.gz QERLNCHANUNJSC-IBGZPJMESA-N 2 0 374.573 3.496 20 0 FGADRP CCCN(C(=O)NCC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)[C@H]1CC[NH2+]C1 ZINC000417930877 500199934 /nfs/dbraw/zinc/19/99/34/500199934.db2.gz VCRNMLFIOXYKAS-NRSPTQNISA-N 2 0 372.557 3.071 20 0 FGADRP CC(C)[N@@H+]1CCc2nc(CN3CC[NH+]([C@H]4C[C@H]4C)C[C@H](C)C3)sc2C1 ZINC000430154795 500201131 /nfs/dbraw/zinc/20/11/31/500201131.db2.gz YCRPIHRRUVUOQY-NUJGCVRESA-N 2 0 362.587 3.072 20 0 FGADRP C[C@H]1C[C@@H](NCc2ccc(F)cc2I)CC[N@@H+]1C ZINC000417959115 500204659 /nfs/dbraw/zinc/20/46/59/500204659.db2.gz LKKHPAJBLSYUAY-GWCFXTLKSA-N 2 0 362.230 3.003 20 0 FGADRP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH2+]CC(C)(C)C1(O)CCOCC1 ZINC000418125115 500233827 /nfs/dbraw/zinc/23/38/27/500233827.db2.gz IUNVEEDSYAAGLD-UHFFFAOYSA-N 2 0 362.558 3.302 20 0 FGADRP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000418148686 500237496 /nfs/dbraw/zinc/23/74/96/500237496.db2.gz ACQUOAWRGBBRAP-SXLOBPIMSA-N 2 0 372.557 3.198 20 0 FGADRP CCCN(C(=O)N[C@H](C)[C@@H](c1ccccc1C)[NH+](C)C)C1CC[NH2+]CC1 ZINC000418162183 500239744 /nfs/dbraw/zinc/23/97/44/500239744.db2.gz CGCSIVMQPSCXEZ-XLIONFOSSA-N 2 0 360.546 3.160 20 0 FGADRP CC(C)Cc1ccc([C@@H](CNC(=O)NC2CCC([NH3+])CC2)[NH+](C)C)cc1 ZINC000418196578 500247983 /nfs/dbraw/zinc/24/79/83/500247983.db2.gz RJSPAZGPIOYBBN-SOAGJPPSSA-N 2 0 360.546 3.057 20 0 FGADRP CCc1ccc([C@H](CNC(=O)NC2CCC([NH3+])CC2)[NH+](CC)CC)cc1 ZINC000418209274 500249776 /nfs/dbraw/zinc/24/97/76/500249776.db2.gz FDHASNXSBJFNRC-MHJFOBGBSA-N 2 0 360.546 3.201 20 0 FGADRP [NH3+]C[C@@H](NC(=O)NCCCCC[NH+]1CCCC1)c1ccc2ccccc2c1 ZINC000418218153 500251002 /nfs/dbraw/zinc/25/10/02/500251002.db2.gz OIOQUXGJCANAGC-OAQYLSRUSA-N 2 0 368.525 3.405 20 0 FGADRP CC[NH2+]CC1CC[NH+](CC(=O)N(Cc2cccc(F)c2)C(C)(C)C)CC1 ZINC000430592322 500259910 /nfs/dbraw/zinc/25/99/10/500259910.db2.gz QDXHEIOHXRXKAD-UHFFFAOYSA-N 2 0 363.521 3.274 20 0 FGADRP CC[NH2+]CC1CC[NH+](CC(=O)N[C@H](C)c2ccc3c(c2)CCCC3)CC1 ZINC000430593424 500259949 /nfs/dbraw/zinc/25/99/49/500259949.db2.gz SMWKASIQZABXML-QGZVFWFLSA-N 2 0 357.542 3.064 20 0 FGADRP CN(C(=O)C[NH+]1CCC(C[NH3+])CC1)[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000430608562 500261731 /nfs/dbraw/zinc/26/17/31/500261731.db2.gz DOTOIYURNLWNGQ-JOCHJYFZSA-N 2 0 369.484 3.044 20 0 FGADRP CC(C)c1ccc([C@H]([NH3+])CNC(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)cc1 ZINC000418362041 500268197 /nfs/dbraw/zinc/26/81/97/500268197.db2.gz UVSHNKXEAPKYBX-WOJBJXKFSA-N 2 0 358.530 3.080 20 0 FGADRP CC(C)c1ccc([C@H]([NH3+])CNC(=O)N2CCC[C@@H]2C[NH+]2CCCC2)cc1 ZINC000418365499 500268736 /nfs/dbraw/zinc/26/87/36/500268736.db2.gz XVMGETTVEHYUCR-WOJBJXKFSA-N 2 0 358.530 3.080 20 0 FGADRP C[C@H]1CCC[N@H+](CCCCNC(=O)c2ccc3c(ccn3CCC[NH3+])c2)C1 ZINC000430684731 500270073 /nfs/dbraw/zinc/27/00/73/500270073.db2.gz OGGWOGDYGWQZTQ-SFHVURJKSA-N 2 0 370.541 3.232 20 0 FGADRP CCN(C(=O)N[C@H](C[NH3+])CC(C)C)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000418425230 500274584 /nfs/dbraw/zinc/27/45/84/500274584.db2.gz JEWQVWHNYQHHAO-HOJAQTOUSA-N 2 0 360.546 3.227 20 0 FGADRP CC[N@H+](CCC1CCN(C(=O)NCC([NH3+])(CC)CC)CC1)CC1CC1 ZINC000418423845 500274956 /nfs/dbraw/zinc/27/49/56/500274956.db2.gz FWYJIFXXYOJPME-UHFFFAOYSA-N 2 0 352.567 3.048 20 0 FGADRP O=C(C[N@@H+]1CC[C@@H]2CCC[C@@H]21)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000426460344 500274926 /nfs/dbraw/zinc/27/49/26/500274926.db2.gz NNSBAJBNOPVOAJ-HKUYNNGSSA-N 2 0 359.539 3.048 20 0 FGADRP COc1cc(C[N@@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)ccc1OCC(F)(F)F ZINC000422564723 500275096 /nfs/dbraw/zinc/27/50/96/500275096.db2.gz WSJWJVUQLOLGDQ-GUTXKFCHSA-N 2 0 360.420 3.442 20 0 FGADRP O=C(C[N@@H+]1CC[C@@H]2CCC[C@H]21)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000426460348 500275177 /nfs/dbraw/zinc/27/51/77/500275177.db2.gz NNSBAJBNOPVOAJ-PKOBYXMFSA-N 2 0 359.539 3.048 20 0 FGADRP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000418427862 500275434 /nfs/dbraw/zinc/27/54/34/500275434.db2.gz OHENAQLYYLGELV-NJYVYQBISA-N 2 0 372.557 3.058 20 0 FGADRP C[N@@H+]1CCC[C@H](CNC(=O)C(C)(C)C[NH3+])[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000430763893 500281613 /nfs/dbraw/zinc/28/16/13/500281613.db2.gz BPZGWIWCZUQAHB-GDBMZVCRSA-N 2 0 371.447 3.189 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@H](C[NH3+])c2ccc3ccccc3c2)C[C@H]1C ZINC000418482518 500281884 /nfs/dbraw/zinc/28/18/84/500281884.db2.gz FBTWXGLEMKFHDN-TYCQWZJGSA-N 2 0 368.525 3.354 20 0 FGADRP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)N[C@H](C[NH3+])c1ccc2ccccc2c1 ZINC000418483101 500282179 /nfs/dbraw/zinc/28/21/79/500282179.db2.gz FLULSWAGKGKPNI-IIBYNOLFSA-N 2 0 368.525 3.211 20 0 FGADRP C[NH+](C)CCN(C(=O)N[C@H](C[NH3+])c1ccc2ccccc2c1)C1CCCC1 ZINC000418486111 500282472 /nfs/dbraw/zinc/28/24/72/500282472.db2.gz ITCGSJRDAWDQTQ-OAQYLSRUSA-N 2 0 368.525 3.355 20 0 FGADRP CCC[NH+]1CCC(N(C)C(=O)N[C@H](C[NH3+])c2ccc3ccccc3c2)CC1 ZINC000418497840 500284432 /nfs/dbraw/zinc/28/44/32/500284432.db2.gz IJNOQHYVUAGRLZ-OAQYLSRUSA-N 2 0 368.525 3.355 20 0 FGADRP [NH3+]C[C@@H](NC(=O)N1CCC([NH+]2CCCC2)CC1)c1ccc2ccccc2c1 ZINC000418501311 500284944 /nfs/dbraw/zinc/28/49/44/500284944.db2.gz QRHATYXPLPLAFA-OAQYLSRUSA-N 2 0 366.509 3.109 20 0 FGADRP FC(F)(F)c1cccc(CCC[NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000422699642 500286837 /nfs/dbraw/zinc/28/68/37/500286837.db2.gz AVOKGQHCCVIJSS-OKZBNKHCSA-N 2 0 356.432 3.385 20 0 FGADRP CC[NH+](CC)CCOc1ccc(CN[C@H]2CCCCC[C@@H]2[NH3+])cc1OC ZINC000422697152 500287257 /nfs/dbraw/zinc/28/72/57/500287257.db2.gz UAPVKYWCIKYTQK-OALUTQOASA-N 2 0 363.546 3.165 20 0 FGADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]Cc1ccc(OCCC[NH+](C)C)cc1 ZINC000422710468 500287637 /nfs/dbraw/zinc/28/76/37/500287637.db2.gz FVBQPZAZDZENIJ-INIZCTEOSA-N 3 0 356.514 3.030 20 0 FGADRP CCOC(=O)C1([C@H](C)[NH2+]CC(C)(C)c2ccc(F)cc2)CC[NH2+]CC1 ZINC000422702659 500287867 /nfs/dbraw/zinc/28/78/67/500287867.db2.gz FQFCECKJRCZZCC-HNNXBMFYSA-N 2 0 350.478 3.014 20 0 FGADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]CCSCCOc1cccc(Br)c1 ZINC000422704324 500287977 /nfs/dbraw/zinc/28/79/77/500287977.db2.gz KJHVUYVLJREENO-BBRMVZONSA-N 2 0 373.360 3.278 20 0 FGADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCN(c2ccccc2Br)C1 ZINC000422711477 500288384 /nfs/dbraw/zinc/28/83/84/500288384.db2.gz MSMIXQCURJUGGK-LZWOXQAQSA-N 2 0 352.320 3.135 20 0 FGADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+][C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000422713714 500288757 /nfs/dbraw/zinc/28/87/57/500288757.db2.gz PZAMXJCISZHAGK-OIISXLGYSA-N 2 0 352.320 3.277 20 0 FGADRP COc1ccc(CCC[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422730128 500290791 /nfs/dbraw/zinc/29/07/91/500290791.db2.gz DJKKJPCAKXHZMU-RBBKRZOGSA-N 2 0 352.478 3.473 20 0 FGADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]Cc1cccc(NC(=O)NCc2ccncc2)c1 ZINC000422737321 500292532 /nfs/dbraw/zinc/29/25/32/500292532.db2.gz XHSDADFALMGBJD-QUCCMNQESA-N 2 0 367.497 3.010 20 0 FGADRP CN(C)[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1)c1c(F)cccc1F ZINC000422746018 500293184 /nfs/dbraw/zinc/29/31/84/500293184.db2.gz NEMSZNCAMGVWFS-ZWQIFLOQSA-N 2 0 351.485 3.468 20 0 FGADRP COc1ccccc1[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)N1CCCC1 ZINC000422745630 500293218 /nfs/dbraw/zinc/29/32/18/500293218.db2.gz MPXOICSOSCCVLY-KCLUMXDGSA-N 2 0 357.542 3.342 20 0 FGADRP COc1ccccc1C1(C[NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)CCCC1 ZINC000422743347 500293224 /nfs/dbraw/zinc/29/32/24/500293224.db2.gz UBPAPGRENJYHNS-YSIASYRMSA-N 2 0 358.526 3.254 20 0 FGADRP COc1ccccc1[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)N1CCCC1 ZINC000422745632 500293366 /nfs/dbraw/zinc/29/33/66/500293366.db2.gz MPXOICSOSCCVLY-WJMWBRGCSA-N 2 0 357.542 3.342 20 0 FGADRP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CC1(c2ccc(F)cc2)CCOCC1 ZINC000422768548 500295647 /nfs/dbraw/zinc/29/56/47/500295647.db2.gz URRIGCNJQUUPDK-DYESRHJHSA-N 2 0 356.485 3.422 20 0 FGADRP COc1ccc([C@@H](NCC[N@H+](C)Cc2ccccc2)[C@H]2CCC[NH2+]2)cc1 ZINC000422769125 500295738 /nfs/dbraw/zinc/29/57/38/500295738.db2.gz UMOXGNDWYMCAFS-FGZHOGPDSA-N 2 0 353.510 3.210 20 0 FGADRP COc1ccc([C@H](CNC(=O)[C@@H]2CCCCCC[C@H]2[NH3+])[NH+]2CCCC2)cc1 ZINC000430850360 500296417 /nfs/dbraw/zinc/29/64/17/500296417.db2.gz KJPSDJSXYGKSMK-NJYVYQBISA-N 2 0 373.541 3.246 20 0 FGADRP OC[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)Cc1c(F)cccc1Cl ZINC000422797885 500299256 /nfs/dbraw/zinc/29/92/56/500299256.db2.gz OWSLNFNJBYVTBP-QABNGEJJSA-N 2 0 354.897 3.140 20 0 FGADRP [NH3+]C1(C(=O)Nc2ccc(NC(=O)CC[NH+]3CCCCC3)cc2)CCCCC1 ZINC000430873806 500299590 /nfs/dbraw/zinc/29/95/90/500299590.db2.gz XCOMHNSGLAEFFG-UHFFFAOYSA-N 2 0 372.513 3.101 20 0 FGADRP C[N@H+](CCCN[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)C1CCCCC1 ZINC000422804120 500300677 /nfs/dbraw/zinc/30/06/77/500300677.db2.gz KBAWXJLYWCNFMK-IRLDBZIGSA-N 2 0 357.542 3.487 20 0 FGADRP Cc1cccc(Oc2cc(C[NH2+][C@@H]3CCOC[C@H]3[C@@H](C)[NH3+])ccn2)c1C ZINC000422813911 500301468 /nfs/dbraw/zinc/30/14/68/500301468.db2.gz YZUAXSLOWYVLPQ-NZSAHSFTSA-N 2 0 355.482 3.333 20 0 FGADRP CC[C@H](CN[C@@H](Cc1ccccc1)[C@H](C)[NH3+])[N@@H+]1CCc2ccccc2C1 ZINC000422813412 500301514 /nfs/dbraw/zinc/30/15/14/500301514.db2.gz YCQCLGHTELJRDY-NMNUPHIUSA-N 2 0 351.538 3.371 20 0 FGADRP Fc1ccc(OCC[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c(F)c1 ZINC000422818759 500302031 /nfs/dbraw/zinc/30/20/31/500302031.db2.gz LEOCPZCPXWKLKW-XLIONFOSSA-N 2 0 360.404 3.189 20 0 FGADRP [NH3+]CCC[C@H](NC(=O)N1CC[NH+](CC2CCCCC2)CC1)c1ccccc1 ZINC000418670294 500305059 /nfs/dbraw/zinc/30/50/59/500305059.db2.gz KGXADXQJRKTYRS-NRFANRHFSA-N 2 0 372.557 3.374 20 0 FGADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C1CCN(CCc2ccccc2)CC1 ZINC000422850971 500305161 /nfs/dbraw/zinc/30/51/61/500305161.db2.gz WMBLFHNGAMALMP-KRWDZBQOSA-N 2 0 352.526 3.206 20 0 FGADRP C[NH+](C)CCN(Cc1ccsc1)C(=O)N[C@H](CCC[NH3+])c1ccccc1 ZINC000418673185 500305700 /nfs/dbraw/zinc/30/57/00/500305700.db2.gz NHGAIPFNUQYCBH-LJQANCHMSA-N 2 0 374.554 3.302 20 0 FGADRP Clc1ccc(-n2cc(C[NH+]3CCC4(CC[NH2+]C4)CC3)nn2)c(Cl)c1 ZINC000430911802 500305903 /nfs/dbraw/zinc/30/59/03/500305903.db2.gz CYSDZPDHPACSAB-UHFFFAOYSA-N 2 0 366.296 3.150 20 0 FGADRP Cc1nn(-c2ccc(F)cc2F)c(C)c1C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000430913012 500305932 /nfs/dbraw/zinc/30/59/32/500305932.db2.gz QJSMMVOIEKSSEG-UHFFFAOYSA-N 2 0 360.452 3.343 20 0 FGADRP COc1cc(Br)c(C[NH+]2CCC3(CC[NH2+]C3)CC2)c(OC)c1 ZINC000430911870 500306118 /nfs/dbraw/zinc/30/61/18/500306118.db2.gz DSQCRFJTQUHVAR-UHFFFAOYSA-N 2 0 369.303 3.042 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(C[NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000422860229 500306817 /nfs/dbraw/zinc/30/68/17/500306817.db2.gz LCQSXZKTWRXPQW-RLLPEYFOSA-N 3 0 371.569 3.308 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(C[NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000422860231 500306894 /nfs/dbraw/zinc/30/68/94/500306894.db2.gz LCQSXZKTWRXPQW-YJSIEXFISA-N 3 0 371.569 3.308 20 0 FGADRP C[NH2+]CC1CC[NH+](CC(=O)N[C@H](c2ccc(F)cc2)C2CCCC2)CC1 ZINC000430919320 500307326 /nfs/dbraw/zinc/30/73/26/500307326.db2.gz KLTFYKWWCOBVJV-NRFANRHFSA-N 2 0 361.505 3.105 20 0 FGADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@@H]1CCN(C(=O)CCc2ccccc2)C1 ZINC000422869796 500308143 /nfs/dbraw/zinc/30/81/43/500308143.db2.gz APUIULLKPGTODI-HMXCVIKNSA-N 2 0 357.542 3.121 20 0 FGADRP C[C@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)N1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000430940199 500310615 /nfs/dbraw/zinc/31/06/15/500310615.db2.gz JESSHLGCRPWUGR-GPCCPHFNSA-N 2 0 363.811 3.355 20 0 FGADRP COc1cc(OC)c(CC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)c(OC)c1 ZINC000422885238 500310950 /nfs/dbraw/zinc/31/09/50/500310950.db2.gz GOHBUSBNDFSGSE-BHIYHBOVSA-N 2 0 362.514 3.155 20 0 FGADRP CC[NH+]1CCN(Cc2ccccc2CN[C@@H]2C[C@H]([NH3+])c3ccccc32)CC1 ZINC000422893942 500312467 /nfs/dbraw/zinc/31/24/67/500312467.db2.gz RPWISIMYJYNNSB-XZOQPEGZSA-N 2 0 364.537 3.059 20 0 FGADRP C[C@@H](CCCC[NH3+])[NH2+]C[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000422893682 500312591 /nfs/dbraw/zinc/31/25/91/500312591.db2.gz ANOIDGALONDFRP-GJZGRUSLSA-N 2 0 354.336 3.383 20 0 FGADRP CC[C@H]([NH2+]C[C@@H]1CCN(c2cccc(Br)c2)C1)[C@@H]1CCC[NH2+]1 ZINC000422899695 500312757 /nfs/dbraw/zinc/31/27/57/500312757.db2.gz OXLJXSJPTAIPOR-WBAXXEDZSA-N 2 0 366.347 3.396 20 0 FGADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CC1CC[NH+](Cc2ccccc2)CC1 ZINC000422897206 500313011 /nfs/dbraw/zinc/31/30/11/500313011.db2.gz BMLGEABLEORTBS-QGZVFWFLSA-N 3 0 352.526 3.412 20 0 FGADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000422899854 500313086 /nfs/dbraw/zinc/31/30/86/500313086.db2.gz PILJAQRVMPXMCS-RVKKMQEKSA-N 2 0 366.347 3.383 20 0 FGADRP COc1ccc(Cl)cc1C1(C[NH2+][C@H]2CCC[C@H]2C[NH3+])CCOCC1 ZINC000422899205 500313205 /nfs/dbraw/zinc/31/32/05/500313205.db2.gz GZSOTUPDLCEVGR-YOEHRIQHSA-N 2 0 352.906 3.114 20 0 FGADRP CC[NH+](CC)CCN(Cc1cccs1)C(=O)NC[C@H]1CCC[C@@H]([NH3+])C1 ZINC000418726722 500313347 /nfs/dbraw/zinc/31/33/47/500313347.db2.gz PVSOCJGHZIAXNH-DLBZAZTESA-N 2 0 366.575 3.119 20 0 FGADRP C[C@H]([NH2+]C[C@@H]1CCN(c2cccc(Br)c2)C1)[C@@H]1CCCC[NH2+]1 ZINC000422903518 500313879 /nfs/dbraw/zinc/31/38/79/500313879.db2.gz WHPITGQNKUDPSX-MPGHIAIKSA-N 2 0 366.347 3.396 20 0 FGADRP CC(C)Oc1ccc(C[NH2+][C@@H]2CCOC[C@H]2[C@@H](C)[NH3+])c(C(F)(F)F)c1 ZINC000422902549 500314172 /nfs/dbraw/zinc/31/41/72/500314172.db2.gz MXFHYUMSJGOBFX-ISTRZQFTSA-N 2 0 360.420 3.335 20 0 FGADRP COc1cccc(N2CC[C@H](C[NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCCC[NH2+]3)C2)c1 ZINC000422906239 500314588 /nfs/dbraw/zinc/31/45/88/500314588.db2.gz UTTXETXBJVOVIL-HLRQEUIKSA-N 2 0 357.542 3.422 20 0 FGADRP C[NH2+]CC1CC[NH+](CC(=O)N2CCCCC[C@@H]2c2ccc(OC)cc2)CC1 ZINC000430967392 500314763 /nfs/dbraw/zinc/31/47/63/500314763.db2.gz SPEZJSMCLSQYIA-OAQYLSRUSA-N 2 0 373.541 3.070 20 0 FGADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]CCOc1ncc(C(F)(F)F)cc1Cl ZINC000422917599 500316028 /nfs/dbraw/zinc/31/60/28/500316028.db2.gz GNDBLIOLZXVXIG-GXFFZTMASA-N 2 0 351.800 3.240 20 0 FGADRP CC[NH+]1CCN(Cc2ccc(N[C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)cc2)CC1 ZINC000422915285 500316327 /nfs/dbraw/zinc/31/63/27/500316327.db2.gz APVCFNKVJAVHQE-YPAWHYETSA-N 2 0 356.558 3.157 20 0 FGADRP Cc1ccc(NC(=O)COc2ccc(CC[NH2+][C@@H](C)C[C@@H](C)[NH3+])cc2)cc1 ZINC000422933133 500319070 /nfs/dbraw/zinc/31/90/70/500319070.db2.gz HDGFKWPELDLZBY-MSOLQXFVSA-N 2 0 369.509 3.270 20 0 FGADRP C[C@H]([NH2+]C1CCC(C[NH3+])CC1)c1cc2c(cc1Br)OCCO2 ZINC000422935836 500319782 /nfs/dbraw/zinc/31/97/82/500319782.db2.gz DYJZASKGLLKPQD-HIFPTAJRSA-N 2 0 369.303 3.388 20 0 FGADRP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCOc1ccc(Br)cc1 ZINC000422938305 500319993 /nfs/dbraw/zinc/31/99/93/500319993.db2.gz DOECPBQEHLCQOI-RDTXWAMCSA-N 2 0 363.299 3.376 20 0 FGADRP COc1cccc(CCC[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000422947919 500321978 /nfs/dbraw/zinc/32/19/78/500321978.db2.gz RAZQIJGZDDGXEU-UNMCSNQZSA-N 2 0 352.478 3.473 20 0 FGADRP C[C@H](C[NH2+][C@@H]1CCOC[C@H]1[C@H](C)[NH3+])Sc1ccc(Br)cc1 ZINC000422952504 500322318 /nfs/dbraw/zinc/32/23/18/500322318.db2.gz COKRJHQXRQOYOW-GUYJKWIASA-N 2 0 373.360 3.272 20 0 FGADRP Cc1cc(Br)ccc1C[NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000422955233 500323564 /nfs/dbraw/zinc/32/35/64/500323564.db2.gz IZTFRMZQCSNBAJ-YESZJQIVSA-N 2 0 353.304 3.004 20 0 FGADRP OCC1CC[NH+](Cc2cccc(N[C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)c2)CC1 ZINC000422984164 500327192 /nfs/dbraw/zinc/32/71/92/500327192.db2.gz XFHKTSNMBQLAKE-BHIFYINESA-N 2 0 357.542 3.224 20 0 FGADRP O=C(C[NH+]1CCC2(CC[NH2+]C2)CC1)N(Cc1ccccc1)c1ccccc1 ZINC000431041701 500327547 /nfs/dbraw/zinc/32/75/47/500327547.db2.gz YERQWPLGTZIAMD-UHFFFAOYSA-N 2 0 363.505 3.295 20 0 FGADRP CC(C)(C)CC[NH+]1CCN(C(=O)c2ccc3c(ccn3CCC[NH3+])c2)CC1 ZINC000431043976 500327767 /nfs/dbraw/zinc/32/77/67/500327767.db2.gz UBQLXCDVFMMOSW-UHFFFAOYSA-N 2 0 370.541 3.184 20 0 FGADRP CCC1(C[NH2+][C@@H](C2CC2)[C@@H]2CNCCO2)CC[NH+](Cc2ccccc2)CC1 ZINC000423003902 500329811 /nfs/dbraw/zinc/32/98/11/500329811.db2.gz NOKXYMVRZJKALB-VXKWHMMOSA-N 2 0 371.569 3.035 20 0 FGADRP FC(F)(F)COCc1cccc(C[NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)c1 ZINC000423006033 500330615 /nfs/dbraw/zinc/33/06/15/500330615.db2.gz UDKXMUCIJMKKMI-KZNAEPCWSA-N 2 0 372.431 3.012 20 0 FGADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]CCc1cccc(OCc2ccccc2)c1 ZINC000423020647 500331499 /nfs/dbraw/zinc/33/14/99/500331499.db2.gz CJWSQNKIUGJLCY-MTNREXPMSA-N 2 0 354.494 3.150 20 0 FGADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]CCc1cccc(OCc2ccccc2)c1 ZINC000423020645 500331887 /nfs/dbraw/zinc/33/18/87/500331887.db2.gz CJWSQNKIUGJLCY-BULFRSBZSA-N 2 0 354.494 3.150 20 0 FGADRP COc1ccc(C[C@H](C)C[NH2+][C@H](Cc2ccccc2)[C@H](C)[NH3+])cc1OC ZINC000423027689 500332325 /nfs/dbraw/zinc/33/23/25/500332325.db2.gz RTDPQFSIQRVQBN-ABSDTBQOSA-N 2 0 356.510 3.431 20 0 FGADRP CCC(CC)(C[NH2+][C@@H]1CCOC[C@@H]1[C@@H](C)[NH3+])c1ccc(OC)c(OC)c1 ZINC000423044382 500334196 /nfs/dbraw/zinc/33/41/96/500334196.db2.gz BDKQDMKAYBYVBZ-KBAYOESNSA-N 2 0 364.530 3.104 20 0 FGADRP FC(F)(F)COc1ccc(CC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)cn1 ZINC000423045058 500334265 /nfs/dbraw/zinc/33/42/65/500334265.db2.gz BHILSLLOLIJPSQ-BZUAXINKSA-N 2 0 357.420 3.076 20 0 FGADRP FC(F)(F)COc1ccc(CC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)cn1 ZINC000423046878 500335089 /nfs/dbraw/zinc/33/50/89/500335089.db2.gz FHKDUAYEYZQJSV-GVDBMIGSSA-N 2 0 371.447 3.466 20 0 FGADRP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCCOc1ccc(C(F)(F)F)cn1 ZINC000423078486 500339036 /nfs/dbraw/zinc/33/90/36/500339036.db2.gz OPDZYFZSYJVQAJ-RHSMWYFYSA-N 2 0 367.415 3.417 20 0 FGADRP O[C@@H]1CCC[C@]1(C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)Cc1ccc(F)cc1 ZINC000423079390 500339279 /nfs/dbraw/zinc/33/92/79/500339279.db2.gz YFYGQZDNNVJACJ-VNXMGFANSA-N 2 0 360.517 3.410 20 0 FGADRP Fc1ccc(C2CC([NH2+][C@@H]3CCOC[C@H]3[C@H]3CCC[NH2+]3)C2)cc1Cl ZINC000423094846 500341170 /nfs/dbraw/zinc/34/11/70/500341170.db2.gz CVEGNNYWDQDTNX-KEDMZRARSA-N 2 0 352.881 3.472 20 0 FGADRP CCOC(=O)C1([C@H](C)[NH2+][C@@H]2CC[C@H](c3cccc(F)c3)C2)CC[NH2+]CC1 ZINC000423093244 500341196 /nfs/dbraw/zinc/34/11/96/500341196.db2.gz GSEIHZDCHOMFSJ-VDZJLULYSA-N 2 0 362.489 3.373 20 0 FGADRP FC1(c2cccc(Cl)c2)CC([NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000423096427 500341790 /nfs/dbraw/zinc/34/17/90/500341790.db2.gz OUPXDQXFZCQLSV-MWXXRFSMSA-N 2 0 352.881 3.414 20 0 FGADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@H](Cc1ccc(F)cc1)[C@H]1COc2ccccc2O1 ZINC000423121327 500345402 /nfs/dbraw/zinc/34/54/02/500345402.db2.gz AUOJZCIWCMSVCD-PVMRSWARSA-N 2 0 358.457 3.292 20 0 FGADRP C[C@@H](NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2)[C@H]1CCCC[NH2+]1 ZINC000423127635 500345960 /nfs/dbraw/zinc/34/59/60/500345960.db2.gz CGTQQNWQFLFDLL-BAGYTPMASA-N 3 0 371.569 3.035 20 0 FGADRP FC(F)(F)[C@H](CC[NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000423140731 500348057 /nfs/dbraw/zinc/34/80/57/500348057.db2.gz ZJWLQIJQDYDNAJ-BRSBDYLESA-N 2 0 356.432 3.469 20 0 FGADRP CCOC(=O)c1cnn(C2CC[NH+]([C@@H](C)C[C@H]3CCCCC[NH2+]3)CC2)c1 ZINC000423152409 500349279 /nfs/dbraw/zinc/34/92/79/500349279.db2.gz DZEMXWZPNXOQLQ-FUHWJXTLSA-N 2 0 362.518 3.008 20 0 FGADRP CCOC(=O)C1(C(=O)c2ccccc2)CC[NH+]([C@@H](C)CCCC[NH3+])CC1 ZINC000423158034 500349782 /nfs/dbraw/zinc/34/97/82/500349782.db2.gz NPWVAWMRWYAGDG-KRWDZBQOSA-N 2 0 360.498 3.032 20 0 FGADRP Cc1ccc(C[C@H](CO)[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1C ZINC000423162966 500350019 /nfs/dbraw/zinc/35/00/19/500350019.db2.gz LXYNMOWWSOGCTE-KJXAQDMKSA-N 2 0 366.505 3.052 20 0 FGADRP Fc1cccc(F)c1C1(C[NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)CCC1 ZINC000423174896 500351250 /nfs/dbraw/zinc/35/12/50/500351250.db2.gz CYPVFIYHEVEHBY-FHLIZLRMSA-N 2 0 350.453 3.133 20 0 FGADRP Fc1cccc(F)c1C1(C[NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)CCC1 ZINC000423174897 500351360 /nfs/dbraw/zinc/35/13/60/500351360.db2.gz CYPVFIYHEVEHBY-JCGIZDLHSA-N 2 0 350.453 3.133 20 0 FGADRP CCc1ccc([C@H](CNC(=O)N[C@H]2CC[N@H+](C)[C@@H](C)C2)[NH+](CC)CC)cc1 ZINC000431281416 500358668 /nfs/dbraw/zinc/35/86/68/500358668.db2.gz FNMQVXGKHMAONW-YYWHXJBOSA-N 2 0 374.573 3.414 20 0 FGADRP C[C@H]([NH2+]CCCC[NH3+])c1cccc(S(=O)(=O)NC2CCCCCC2)c1 ZINC000423321307 500363760 /nfs/dbraw/zinc/36/37/60/500363760.db2.gz FNDDTOMFGVROKE-INIZCTEOSA-N 2 0 367.559 3.077 20 0 FGADRP C[C@H](CCc1ccc(I)cc1)[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000423378226 500368768 /nfs/dbraw/zinc/36/87/68/500368768.db2.gz WGKJKROMOWUVFW-WQVCFCJDSA-N 2 0 372.294 3.472 20 0 FGADRP COc1ccc([C@H](Cc2ccncc2)[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)cc1 ZINC000423434902 500374327 /nfs/dbraw/zinc/37/43/27/500374327.db2.gz KTLQQVOJCBLOLK-FDFHNCONSA-N 2 0 351.494 3.352 20 0 FGADRP C[C@@H]([NH3+])[C@H](C)[NH2+][C@H](C)CC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000423457854 500376014 /nfs/dbraw/zinc/37/60/14/500376014.db2.gz GEXZUOLCNOJGOV-BBBLOLIVSA-N 2 0 351.800 3.401 20 0 FGADRP CC[NH+](CC)CCN(Cc1cccs1)C(=O)C[C@@H]1CCC[NH2+]CC1 ZINC000427276939 500376751 /nfs/dbraw/zinc/37/67/51/500376751.db2.gz VXTLUBSVYBGENZ-QGZVFWFLSA-N 2 0 351.560 3.198 20 0 FGADRP C[C@@H](N[C@@H]1C[NH2+]C[C@H]1c1ccccc1)c1cccc(OCC[NH+](C)C)c1 ZINC000423500020 500379244 /nfs/dbraw/zinc/37/92/44/500379244.db2.gz CNTLLUGGCOAWEL-VOQZNFBZSA-N 2 0 353.510 3.033 20 0 FGADRP CCc1ccccc1[C@H]([NH3+])CN[C@@H](C)CS(=O)(=O)c1ccc(C)cc1 ZINC000423510908 500380648 /nfs/dbraw/zinc/38/06/48/500380648.db2.gz SSMUCVGJMHVXSN-OXJNMPFZSA-N 2 0 360.523 3.009 20 0 FGADRP C[C@H]([NH2+][C@@H]1CC[C@@H](C[NH3+])C1)c1ccc(F)c(I)c1 ZINC000423521583 500381620 /nfs/dbraw/zinc/38/16/20/500381620.db2.gz XEKJPTPJGKGIBM-HOSYDEDBSA-N 2 0 362.230 3.208 20 0 FGADRP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH2+][C@@H]4CC[C@@H]5C[NH2+]C[C@H]5C4)[C@H]3C2)cc1 ZINC000423551896 500384113 /nfs/dbraw/zinc/38/41/13/500384113.db2.gz URQNWFPVWTZSLK-AJIIZAQNSA-N 3 0 353.554 3.265 20 0 FGADRP CCO[C@H]1C[C@H]([NH2+]CC2(N)CC[NH+](Cc3ccccc3)CC2)C12CCCC2 ZINC000423557118 500385066 /nfs/dbraw/zinc/38/50/66/500385066.db2.gz INIXCIPAMYKHOF-SFTDATJTSA-N 2 0 371.569 3.307 20 0 FGADRP COc1ccc2c(c1)[C@@H]([NH2+]CC1(N)CC[NH+](Cc3ccccc3)CC1)CC2 ZINC000423574226 500386045 /nfs/dbraw/zinc/38/60/45/500386045.db2.gz PCFFVHUFOYYXEZ-QFIPXVFZSA-N 2 0 365.521 3.266 20 0 FGADRP C[NH+](C)[C@@H](CNC(=O)C[C@@H](c1ccccc1)[NH+](C)C)c1cccc(F)c1 ZINC000431557917 500391786 /nfs/dbraw/zinc/39/17/86/500391786.db2.gz GFTZDJYECFOAAK-PMACEKPBSA-N 2 0 357.473 3.238 20 0 FGADRP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]C[C@@H]2CCOC(C)(C)C2)CC1 ZINC000419739103 500392238 /nfs/dbraw/zinc/39/22/38/500392238.db2.gz WDSLHZXHIMSPFU-MRXNPFEDSA-N 2 0 365.949 3.387 20 0 FGADRP C[C@H](CC(=O)N1CCN([C@H](C)c2cccc(F)c2)CC1)C1CC[NH2+]CC1 ZINC000423744491 500398206 /nfs/dbraw/zinc/39/82/06/500398206.db2.gz NZZJOAPPZZWAIZ-IAGOWNOFSA-N 2 0 361.505 3.057 20 0 FGADRP C[C@H](C(=O)N1CCSc2ccccc21)N1CC[C@@H](Oc2ccncc2)C1 ZINC000431622266 500399635 /nfs/dbraw/zinc/39/96/35/500399635.db2.gz OMWIKBULYCMCAD-NVXWUHKLSA-N 2 0 369.490 3.062 20 0 FGADRP C[NH+](C)[C@@H](CC(=O)NCCC[N@@H+](C)Cc1ccccc1)c1ccccc1 ZINC000431624264 500400023 /nfs/dbraw/zinc/40/00/23/500400023.db2.gz VSGIPNWZLDSJFZ-NRFANRHFSA-N 2 0 353.510 3.318 20 0 FGADRP CC(C)[C@H](C(=O)NC[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1)[C@H](C)[NH3+] ZINC000423810720 500404460 /nfs/dbraw/zinc/40/44/60/500404460.db2.gz BDCPRVHUQVCTLA-ZUXXIDCJSA-N 2 0 369.912 3.208 20 0 FGADRP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+][C@H]1CCCc2ncc(C(F)(F)F)cc21 ZINC000427689896 500421429 /nfs/dbraw/zinc/42/14/29/500421429.db2.gz RFTTZVMCWSLNLX-RDJZCZTQSA-N 2 0 371.447 3.304 20 0 FGADRP CN(C(=O)c1cccc(C[N@H+](C)Cc2ccccc2)c1)[C@H](C[NH3+])C1CC1 ZINC000423940302 500422128 /nfs/dbraw/zinc/42/21/28/500422128.db2.gz ACPBBAKRWQZUMF-OAQYLSRUSA-N 2 0 351.494 3.128 20 0 FGADRP CC[N@H+](Cc1ccc(C(=O)N2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cc1)C1CC1 ZINC000423957640 500424301 /nfs/dbraw/zinc/42/43/01/500424301.db2.gz AULNIBMPEGENIA-CTNGQTDRSA-N 2 0 355.526 3.275 20 0 FGADRP C[NH+](C)[C@H](CC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)c1ccccc1 ZINC000431845265 500433420 /nfs/dbraw/zinc/43/34/20/500433420.db2.gz NSWJGPIARHQCKU-CEWLAPEOSA-N 2 0 355.526 3.155 20 0 FGADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](CCOc3cc(F)cc(Br)c3)C[C@@H]21 ZINC000420299948 500436578 /nfs/dbraw/zinc/43/65/78/500436578.db2.gz BYHRAXCUBGWFPG-KNXALSJPSA-N 2 0 357.267 3.026 20 0 FGADRP COCc1cccc(OCC2(C[N@@H+]3C[C@@H]4CCC[C@@H]([NH3+])[C@@H]4C3)CCC2)c1 ZINC000420314225 500439664 /nfs/dbraw/zinc/43/96/64/500439664.db2.gz VJLJOMZQQMSJFZ-CEWLAPEOSA-N 2 0 358.526 3.441 20 0 FGADRP COc1ccc([C@@H](C[NH3+])CN2CCC[N@H+](CC3CCCCC3)CC2)cc1 ZINC000420318481 500441168 /nfs/dbraw/zinc/44/11/68/500441168.db2.gz OCOFBBVSQMUAAZ-NRFANRHFSA-N 2 0 359.558 3.326 20 0 FGADRP Brc1ccc([C@H]2C[N@H+](CC[C@H]3CCC[NH2+]C3)CCO2)cc1 ZINC000420328484 500442875 /nfs/dbraw/zinc/44/28/75/500442875.db2.gz ZOMPNQJZNVYGQG-RHSMWYFYSA-N 2 0 353.304 3.212 20 0 FGADRP CCN(C(=O)C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)c1cccc2ccccc21 ZINC000420333261 500443138 /nfs/dbraw/zinc/44/31/38/500443138.db2.gz KDZHAEIGSVPZOA-KDURUIRLSA-N 2 0 351.494 3.124 20 0 FGADRP Brc1ccccc1OCC[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420332749 500443201 /nfs/dbraw/zinc/44/32/01/500443201.db2.gz SHWYTTIWRBSKMY-CABCVRRESA-N 2 0 353.304 3.149 20 0 FGADRP Cc1sc2[nH]c([C@H](C)[N@@H+]3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)nc(=O)c2c1C ZINC000420340622 500444968 /nfs/dbraw/zinc/44/49/68/500444968.db2.gz MXHYUCZGEBIBKA-AEGPPILISA-N 2 0 360.527 3.396 20 0 FGADRP C[C@@H]1CC[N@H+](CCC(=O)N[C@H](c2cccs2)c2ccccc2)C[C@@H]1C[NH3+] ZINC000420416287 500457551 /nfs/dbraw/zinc/45/75/51/500457551.db2.gz VRSMNUFMFPKUJJ-MMOPVJDHSA-N 2 0 371.550 3.261 20 0 FGADRP C[N@H+](CCNC(=O)[C@@H]1C[NH2+]C[C@H]1c1ccc(Cl)cc1)C1CCCCC1 ZINC000582367830 506197646 /nfs/dbraw/zinc/19/76/46/506197646.db2.gz GBDBNUXQXWPWFJ-RBUKOAKNSA-N 2 0 363.933 3.024 20 0 FGADRP CC(C)C[C@H](NC(=O)C[N@@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2)c1ccccc1 ZINC000424285624 500480942 /nfs/dbraw/zinc/48/09/42/500480942.db2.gz GCSLYFNKESSYBX-ICSRJNTNSA-N 2 0 357.542 3.354 20 0 FGADRP CC[C@H](NC(=O)C[N@@H+]1CC2(C[C@H]1C)CC[NH2+]CC2)c1ccc(Cl)cc1 ZINC000424287626 500481710 /nfs/dbraw/zinc/48/17/10/500481710.db2.gz JERLXMPLQXHAQR-QAPCUYQASA-N 2 0 363.933 3.371 20 0 FGADRP C[C@@H](NC(=O)C[N@@H+]1CC2(C[C@H]1C)CC[NH2+]CC2)c1ccc2ccccc2c1 ZINC000424292128 500482381 /nfs/dbraw/zinc/48/23/81/500482381.db2.gz OCRPFMINDWNQRU-QZTJIDSGSA-N 2 0 365.521 3.481 20 0 FGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@H](Cc2ccncc2)c2cccs2)CC1 ZINC000424293271 500482766 /nfs/dbraw/zinc/48/27/66/500482766.db2.gz CRWREYQUDZAYKF-AZUAARDMSA-N 2 0 372.582 3.290 20 0 FGADRP C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)C[N@@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424297574 500483065 /nfs/dbraw/zinc/48/30/65/500483065.db2.gz SYROPUHKISWDQM-CVEARBPZSA-N 2 0 363.933 3.323 20 0 FGADRP COc1ccc(Br)c(C[N@@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)c1 ZINC000424298158 500483339 /nfs/dbraw/zinc/48/33/39/500483339.db2.gz TZKPNZVGDSOYTR-CYBMUJFWSA-N 2 0 353.304 3.422 20 0 FGADRP C[NH2+]Cc1cccc(NC(=O)c2ccc(C[NH+]3CCSCC3)cc2)c1 ZINC000428302246 500493435 /nfs/dbraw/zinc/49/34/35/500493435.db2.gz DIWVFCQOKUZTFF-UHFFFAOYSA-N 2 0 355.507 3.207 20 0 FGADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1cc(Cl)cc(I)c1 ZINC000424378280 500493784 /nfs/dbraw/zinc/49/37/84/500493784.db2.gz NNZKHJMCRHUYOL-BDAKNGLRSA-N 2 0 352.647 3.160 20 0 FGADRP Cc1cc(C[NH3+])cc(NC(=O)NCC[C@@H](C)[N@H+](C)Cc2ccccc2)c1 ZINC000424433072 500504564 /nfs/dbraw/zinc/50/45/64/500504564.db2.gz IAETUGMCCMJYMQ-QGZVFWFLSA-N 2 0 354.498 3.486 20 0 FGADRP Cc1cc(C[NH3+])cc(NC(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)c1 ZINC000424433865 500504607 /nfs/dbraw/zinc/50/46/07/500504607.db2.gz FSCSFTILTBJPRH-UHFFFAOYSA-N 2 0 370.472 3.379 20 0 FGADRP CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)NC1CCC([NH+](C)C)CC1 ZINC000420828193 500510902 /nfs/dbraw/zinc/51/09/02/500510902.db2.gz DCPBLFAKCNTILW-XVAXZDLZSA-N 2 0 374.573 3.315 20 0 FGADRP C[C@@H]1CCC[C@@H]([NH+]2CCC(NCCC[N@@H+]3CCCO[C@H](C)C3)CC2)C1 ZINC000432416955 500513539 /nfs/dbraw/zinc/51/35/39/500513539.db2.gz JSCHGIHDGOUFJB-SFHLNBCPSA-N 2 0 351.579 3.120 20 0 FGADRP COc1ccc2c(c1)[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)CCS2 ZINC000432428911 500515165 /nfs/dbraw/zinc/51/51/65/500515165.db2.gz OBBWOCAWUYKJPN-QAPCUYQASA-N 2 0 350.528 3.323 20 0 FGADRP C[C@@H]([NH2+]Cc1cccc(CN2CCOCC2)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000420949489 500538990 /nfs/dbraw/zinc/53/89/90/500538990.db2.gz QHNVYSVDUIVSLF-KNQAVFIVSA-N 2 0 371.569 3.261 20 0 FGADRP Cc1cc(F)ccc1C1CC[NH+](CC(=O)NC2CC[NH+](C3CC3)CC2)CC1 ZINC000428711955 500547715 /nfs/dbraw/zinc/54/77/15/500547715.db2.gz RNTAJNRCQQHEOR-UHFFFAOYSA-N 2 0 373.516 3.057 20 0 FGADRP C[C@@H]1C[N@H+](CCC[NH2+]Cc2ccc(C(=O)OC(C)(C)C)cc2)CCCO1 ZINC000433021962 500607996 /nfs/dbraw/zinc/60/79/96/500607996.db2.gz SHKZNMSXBIQCLE-QGZVFWFLSA-N 2 0 362.514 3.232 20 0 FGADRP Cc1ccccc1C[NH+]1CCC(NC(=O)C[NH2+][C@@H]2CC3CCC2CC3)CC1 ZINC000433059518 500616232 /nfs/dbraw/zinc/61/62/32/500616232.db2.gz UBVRWRSNQALWIS-OBFZPWGMSA-N 2 0 369.553 3.244 20 0 FGADRP C[C@H]([NH2+]Cc1cccc(N2CCC2=O)c1)c1cccc(OCC[NH+](C)C)c1 ZINC000442802074 500627830 /nfs/dbraw/zinc/62/78/30/500627830.db2.gz QKRWREIZMPZYTM-KRWDZBQOSA-N 2 0 367.493 3.215 20 0 FGADRP C[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433120197 500630951 /nfs/dbraw/zinc/63/09/51/500630951.db2.gz YEJHSEVEXCINJG-CYBMUJFWSA-N 2 0 372.340 3.244 20 0 FGADRP CC(C)Oc1ccc(NC(=O)CCC[NH+]2CCC([NH3+])CC2)cc1Cl ZINC000433133203 500632219 /nfs/dbraw/zinc/63/22/19/500632219.db2.gz DLSWQRZCFYDNDH-UHFFFAOYSA-N 2 0 353.894 3.269 20 0 FGADRP C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)CCC[NH+]3CCC([NH3+])CC3)cc2)C1 ZINC000433138415 500633829 /nfs/dbraw/zinc/63/38/29/500633829.db2.gz SGGIOVPZJFXXFY-SFHVURJKSA-N 3 0 372.557 3.060 20 0 FGADRP C[NH+](C)[C@@H]1CCOc2c(NC(=O)[C@H]3CCC[N@@H+]3C3CCCC3)cccc21 ZINC000447724783 500653883 /nfs/dbraw/zinc/65/38/83/500653883.db2.gz YHJFCIGMXAAOTC-RTBURBONSA-N 2 0 357.498 3.417 20 0 FGADRP COc1cccc(-c2nc(C[N@@H+]3CCC[C@H](CC[NH3+])C3)cs2)c1OC ZINC000443056183 500670474 /nfs/dbraw/zinc/67/04/74/500670474.db2.gz CEDYIKHCXZEVAS-CQSZACIVSA-N 2 0 361.511 3.388 20 0 FGADRP Cc1ccccc1NC(=O)Cc1nc(C[N@@H+]2CCC[C@@H](CC[NH3+])C2)cs1 ZINC000443056523 500670785 /nfs/dbraw/zinc/67/07/85/500670785.db2.gz CUQIDPDSUUEGMN-INIZCTEOSA-N 2 0 372.538 3.194 20 0 FGADRP [NH3+]CC[C@@H]1CCC[N@H+](CC(=O)N[C@H](c2ccc(F)cc2)C2CCCC2)C1 ZINC000443061680 500671559 /nfs/dbraw/zinc/67/15/59/500671559.db2.gz SDKHHXHOHCYTBD-KKSFZXQISA-N 2 0 361.505 3.234 20 0 FGADRP CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443079034 500676187 /nfs/dbraw/zinc/67/61/87/500676187.db2.gz YCLHSBHJSBCIIT-ZDUSSCGKSA-N 2 0 358.313 3.013 20 0 FGADRP C[C@@H](NC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1)C(C)(C)C[NH+](C)C ZINC000443236882 500699716 /nfs/dbraw/zinc/69/97/16/500699716.db2.gz HCMYJMUKTANGHU-GOSISDBHSA-N 2 0 374.573 3.448 20 0 FGADRP CC(C)C[C@H]([NH3+])c1noc(-c2cnn(CC[NH+](C)C)c2-c2ccccc2)n1 ZINC000570682023 506213475 /nfs/dbraw/zinc/21/34/75/506213475.db2.gz NOFGGYATXSAKCU-KRWDZBQOSA-N 2 0 368.485 3.208 20 0 FGADRP O=C(NC[C@H]1CCCC[N@@H+]1C1CC1)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000433564524 500713116 /nfs/dbraw/zinc/71/31/16/500713116.db2.gz PXPGBGNGQXIQSN-NHCUHLMSSA-N 2 0 370.541 3.140 20 0 FGADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)NCCC[NH+](C)C2CCCCC2)C1 ZINC000448220223 500735508 /nfs/dbraw/zinc/73/55/08/500735508.db2.gz MXKKBKKCWKYRHW-LJQANCHMSA-N 2 0 366.594 3.308 20 0 FGADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H](O)Cc2ccccc2C(F)(F)F)[C@H](C)C1 ZINC000443574983 500740890 /nfs/dbraw/zinc/74/08/90/500740890.db2.gz GCHGMHCHOGGWFQ-HFTRVMKXSA-N 2 0 358.448 3.271 20 0 FGADRP C[C@@H]1OCC[C@]12CN(CC(C)(C)C[N@H+](C)Cc1ccccc1)C[C@@H](C)O2 ZINC000448369917 500754641 /nfs/dbraw/zinc/75/46/41/500754641.db2.gz CWFVVGBDRMNRRO-DXIQSLLYSA-N 2 0 360.542 3.413 20 0 FGADRP COCCN(Cc1nc2c(s1)C[N@@H+](C(C)C)CC2)[C@@H]1CCCSC1 ZINC000448370935 500754814 /nfs/dbraw/zinc/75/48/14/500754814.db2.gz BKSUPRPVPHMWQY-OAHLLOKOSA-N 2 0 369.600 3.254 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@H]2CCC[NH+]2C2CCCCC2)C[C@H]1C ZINC000438328864 500770758 /nfs/dbraw/zinc/77/07/58/500770758.db2.gz UNDIWTDWVSRLQW-YZGWKJHDSA-N 2 0 364.578 3.298 20 0 FGADRP CC[C@H](C[NH+]1CCC(C(=O)NCCC[NH+]2CCCC2)CC1)c1ccccc1 ZINC000570727460 506215500 /nfs/dbraw/zinc/21/55/00/506215500.db2.gz DSQKKAJUTWEQAN-HXUWFJFHSA-N 2 0 371.569 3.494 20 0 FGADRP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000438348438 500774376 /nfs/dbraw/zinc/77/43/76/500774376.db2.gz XKLCFBPEXLTDNB-YLJYHZDGSA-N 2 0 364.578 3.155 20 0 FGADRP CC(C)[C@@H]1CC[N@@H+]([C@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000438482302 500791034 /nfs/dbraw/zinc/79/10/34/500791034.db2.gz KSTXEWDGBMMXJK-UYAOXDASSA-N 2 0 357.542 3.134 20 0 FGADRP Cc1ccc2[nH]c3c(c2c1)CCC[C@H]3[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000438832470 500824475 /nfs/dbraw/zinc/82/44/75/500824475.db2.gz UVYLBTCUVUCUJN-OAQYLSRUSA-N 2 0 354.542 3.471 20 0 FGADRP Nc1cc[nH+]cc1C(=O)N1CC[N@H+](Cc2ccccc2)C2(CCCCC2)C1 ZINC000444268963 500827255 /nfs/dbraw/zinc/82/72/55/500827255.db2.gz KHVJOOABSCDTOS-UHFFFAOYSA-N 2 0 364.493 3.155 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)N1[C@@H]2CC[C@H]1C[N@H+](CC)CC2)CC(C)C ZINC000439200278 500869234 /nfs/dbraw/zinc/86/92/34/500869234.db2.gz PWIOQEPTHRFWCR-CEXWTWQISA-N 2 0 352.567 3.011 20 0 FGADRP C[C@H](C[NH+]1CCC([C@H]2CCCO2)CC1)C[NH+]1CCC([C@@H]2CCCO2)CC1 ZINC000439298800 500882974 /nfs/dbraw/zinc/88/29/74/500882974.db2.gz VVHQSWFQXLTJGX-RGPKIKJVSA-N 2 0 364.574 3.405 20 0 FGADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@@H]1C[C@H]1c1ccccc1Cl ZINC000448973189 500884139 /nfs/dbraw/zinc/88/41/39/500884139.db2.gz YXSWETZYDPKOKP-ZWKOTPCHSA-N 2 0 365.949 3.176 20 0 FGADRP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@@H](c3ccccc3)C[C@H]2C)CC1 ZINC000439327895 500885302 /nfs/dbraw/zinc/88/53/02/500885302.db2.gz LFHNWYOIRAPONQ-UYAOXDASSA-N 2 0 357.542 3.244 20 0 FGADRP C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000434778060 500893188 /nfs/dbraw/zinc/89/31/88/500893188.db2.gz ROAKLBBIRYSIRX-XLIONFOSSA-N 2 0 357.542 3.427 20 0 FGADRP C[NH+](C)CC1(NC(=O)Nc2ccc(OCC[NH+]3CCCCC3)cc2)CCC1 ZINC000439436130 500896362 /nfs/dbraw/zinc/89/63/62/500896362.db2.gz WGCAPDRYLOCDOI-UHFFFAOYSA-N 2 0 374.529 3.157 20 0 FGADRP c1c2cccnc2oc1C[NH2+]CCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000449076651 500918774 /nfs/dbraw/zinc/91/87/74/500918774.db2.gz QAYCZVGYJJTQDT-UHFFFAOYSA-N 2 0 364.493 3.125 20 0 FGADRP OCC[NH+]1CCC(C[NH2+][C@@H]2CCC[C@@H]2Cc2ccc(Cl)cc2)CC1 ZINC000449120211 500929519 /nfs/dbraw/zinc/92/95/19/500929519.db2.gz CGZIGSRQSRBVKI-UYAOXDASSA-N 2 0 350.934 3.345 20 0 FGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+]Cc2cc3ccccc3c(OC)c2)CC1 ZINC000449130471 500931532 /nfs/dbraw/zinc/93/15/32/500931532.db2.gz GRKYYUYSDLVZSN-GOSISDBHSA-N 2 0 355.526 3.212 20 0 FGADRP CC(C)[C@H]([NH3+])CC[N@H+](C)Cc1cn(C)nc1-c1ccc2c(c1)OCCCO2 ZINC000435377314 500963334 /nfs/dbraw/zinc/96/33/34/500963334.db2.gz AEOMQNKWXNPIEN-GOSISDBHSA-N 2 0 372.513 3.054 20 0 FGADRP COc1ccc(OCc2ccccn2)c(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c1 ZINC000435378881 500963929 /nfs/dbraw/zinc/96/39/29/500963929.db2.gz ABWOKUYHDWZEEY-NDXORKPFSA-N 2 0 367.493 3.228 20 0 FGADRP Cc1cc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cc(C)c1OCc1ccccn1 ZINC000435391631 500966695 /nfs/dbraw/zinc/96/66/95/500966695.db2.gz SXBFZXYHVKFDMY-JBACZVJFSA-N 2 0 351.494 3.447 20 0 FGADRP c1cnn(-c2cccc(CN(Cc3ccccn3)[C@H]3CCC[NH2+]CC3)c2)c1 ZINC000435392306 500966710 /nfs/dbraw/zinc/96/67/10/500966710.db2.gz WCJVXRLXPYZDHT-NRFANRHFSA-N 2 0 361.493 3.412 20 0 FGADRP Cc1cc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cc(C)c1OCc1ccccn1 ZINC000435391637 500967013 /nfs/dbraw/zinc/96/70/13/500967013.db2.gz SXBFZXYHVKFDMY-TYPHKJRUSA-N 2 0 351.494 3.447 20 0 FGADRP CC[C@H]1CN(CC[NH2+]C2CC[NH+](C(C)(C)CC(C)(C)C)CC2)CCO1 ZINC000449289237 500967108 /nfs/dbraw/zinc/96/71/08/500967108.db2.gz RIYKVJUNYACFMC-IBGZPJMESA-N 2 0 353.595 3.366 20 0 FGADRP COc1ccc(CN(Cc2nccs2)[C@H]2CC23CC[NH2+]CC3)cc1F ZINC000435426724 500972418 /nfs/dbraw/zinc/97/24/18/500972418.db2.gz JEPQHMSXXWQFRX-KRWDZBQOSA-N 2 0 361.486 3.435 20 0 FGADRP COc1cccc2c(C[N@@H+]3CCN(C4CC[NH+](C)CC4)[C@@H](C)C3)cccc12 ZINC000449323637 500977223 /nfs/dbraw/zinc/97/72/23/500977223.db2.gz ABJFFGMVKSFUCM-SFHVURJKSA-N 2 0 367.537 3.449 20 0 FGADRP COc1cc2ccccc2cc1C[NH+]1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC000449325703 500977842 /nfs/dbraw/zinc/97/78/42/500977842.db2.gz OXXLPRDUWKBURW-UHFFFAOYSA-N 2 0 367.537 3.308 20 0 FGADRP CCC[C@H](C)C(=O)NCC[NH2+]C1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000449338740 500981612 /nfs/dbraw/zinc/98/16/12/500981612.db2.gz HQQBKUCPEHSGIZ-OALUTQOASA-N 2 0 359.558 3.224 20 0 FGADRP C[C@@H]1CSC[C@H]1[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000449343929 500982629 /nfs/dbraw/zinc/98/26/29/500982629.db2.gz OFTDTODFEITDIE-MISYRCLQSA-N 2 0 360.567 3.256 20 0 FGADRP C[C@@H](C[NH2+]CCCCC[NH+]1CCCC1)c1ccc(S(C)(=O)=O)cc1 ZINC000449343732 500982893 /nfs/dbraw/zinc/98/28/93/500982893.db2.gz MRFUORIPYAMSMK-KRWDZBQOSA-N 2 0 352.544 3.049 20 0 FGADRP CC(C)C1CCC([NH+]2CCN(C(=O)N[C@H]3CC[N@H+](C)[C@@H](C)C3)CC2)CC1 ZINC000440197894 500986384 /nfs/dbraw/zinc/98/63/84/500986384.db2.gz WVKGLCVVNPEBAF-IQNGYNMSSA-N 2 0 364.578 3.011 20 0 FGADRP CCOc1ccc([C@@H]2CCCN2C(=O)CN(CC)[C@H]2CCC[NH2+]CC2)cc1 ZINC000435629177 501004614 /nfs/dbraw/zinc/00/46/14/501004614.db2.gz WXOIRSQNKJLKDG-FPOVZHCZSA-N 2 0 373.541 3.213 20 0 FGADRP CCC[NH+]1CCN(c2ccccc2C[NH2+]CC2(CF)CCOCC2)CC1 ZINC000449489325 501016131 /nfs/dbraw/zinc/01/61/31/501016131.db2.gz QLUDFOOVSCHOCM-UHFFFAOYSA-N 2 0 363.521 3.075 20 0 FGADRP CC(C)[C@H](CNC(=O)NC1CCC(C[NH+](C)C)CC1)[NH+]1CCC(C)CC1 ZINC000440808568 501050868 /nfs/dbraw/zinc/05/08/68/501050868.db2.gz MNRAVTJGIFMXSA-MHJFOBGBSA-N 2 0 366.594 3.163 20 0 FGADRP CCC[N@H+](CC)CCNC(=O)N[C@H](Cn1ccnc1)c1ccc(C)cc1C ZINC000440883011 501059649 /nfs/dbraw/zinc/05/96/49/501059649.db2.gz XNMIELJFWAXEFU-HXUWFJFHSA-N 2 0 371.529 3.272 20 0 FGADRP C[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@H]2CC[C@@H](C(=O)N3CCCC3)C2)CC1 ZINC000436305346 501104836 /nfs/dbraw/zinc/10/48/36/501104836.db2.gz GEHHFXBGTBUOQW-YHELAOLJSA-N 2 0 361.574 3.410 20 0 FGADRP CCc1ccc2[nH+]ccc(N3CC[C@@H]([NH+]4CCN(C)CC4)[C@H](C)C3)c2c1 ZINC000450403508 501112732 /nfs/dbraw/zinc/11/27/32/501112732.db2.gz AXIXWNOLUBVYOJ-DYESRHJHSA-N 2 0 352.526 3.259 20 0 FGADRP O[C@H]1CC[N@H+](Cc2ccccc2C[NH2+]Cc2cc3c(cccc3F)[nH]2)C1 ZINC000436401155 501120803 /nfs/dbraw/zinc/12/08/03/501120803.db2.gz OAJFEJKYZPPCOJ-SFHVURJKSA-N 2 0 353.441 3.163 20 0 FGADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2ccc(C(=O)OC)c(Cl)c2)C1 ZINC000450450600 501124495 /nfs/dbraw/zinc/12/44/95/501124495.db2.gz FGNCLZYANIRFTO-INIZCTEOSA-N 2 0 368.905 3.059 20 0 FGADRP Cc1ccc([C@H](CNC(=O)N(C)CC2([NH+](C)C)CCC2)[NH+]2CCCC2)cc1 ZINC000446523400 501129466 /nfs/dbraw/zinc/12/94/66/501129466.db2.gz QFEWESKBTITGQP-FQEVSTJZSA-N 2 0 372.557 3.258 20 0 FGADRP COc1ccc([C@@H](CCn2cncn2)[NH2+]C[C@H]2CCC[N@@H+](C(C)C)C2)cc1 ZINC000446840436 501171919 /nfs/dbraw/zinc/17/19/19/501171919.db2.gz YYRHHMWQJJAKCS-WIYYLYMNSA-N 2 0 371.529 3.128 20 0 FGADRP CC(C)[NH+]1CCC([N@H+](C)C[C@H](O)Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000446839790 501172044 /nfs/dbraw/zinc/17/20/44/501172044.db2.gz CDJRJALLFWJMQO-GOSISDBHSA-N 2 0 358.448 3.413 20 0 FGADRP COC[C@H]([NH2+]CC[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1)C1CCOCC1 ZINC000446921771 501181311 /nfs/dbraw/zinc/18/13/11/501181311.db2.gz UPIPUOKKAZMGHG-VCOUNFBDSA-N 2 0 360.542 3.318 20 0 FGADRP O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000611639543 506239423 /nfs/dbraw/zinc/23/94/23/506239423.db2.gz JPRIIBPYAJUZNE-MOPGFXCFSA-N 2 0 374.529 3.076 20 0 FGADRP Cc1ccc(NC(=O)C2C[NH+](C3CCCCC3)C2)c(OCC[NH+](C)C)c1 ZINC000457580173 501262721 /nfs/dbraw/zinc/26/27/21/501262721.db2.gz OXUWJRNMXHRLCI-UHFFFAOYSA-N 2 0 359.514 3.138 20 0 FGADRP CC[C@H](C)NC(=O)CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000453087041 501265813 /nfs/dbraw/zinc/26/58/13/501265813.db2.gz VHNXDPRYCARPBN-OYNPSCLESA-N 2 0 357.542 3.324 20 0 FGADRP C[C@@H](Cc1cnccn1)[NH2+]Cc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000453118893 501272877 /nfs/dbraw/zinc/27/28/77/501272877.db2.gz JMSZVTLXPCCVPY-KRWDZBQOSA-N 2 0 350.466 3.422 20 0 FGADRP C[C@H](CCCc1cccnc1)[NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000453125943 501273868 /nfs/dbraw/zinc/27/38/68/501273868.db2.gz XPKYZKFHKJBQCK-HXUWFJFHSA-N 2 0 358.574 3.333 20 0 FGADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000453126747 501274818 /nfs/dbraw/zinc/27/48/18/501274818.db2.gz KTQMVNCRTFDGET-ACESQOTJSA-N 3 0 373.585 3.376 20 0 FGADRP Cc1cc([C@@H](C)[NH2+]CC2CC[NH+](CC(=O)NC(C)(C)C)CC2)cs1 ZINC000453137026 501276162 /nfs/dbraw/zinc/27/61/62/501276162.db2.gz UUSLQOQSVRNTEZ-OAHLLOKOSA-N 2 0 351.560 3.334 20 0 FGADRP C[C@H]([NH2+]C[C@H](O)Cc1cccc(F)c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000453248371 501298773 /nfs/dbraw/zinc/29/87/73/501298773.db2.gz PNGIZAGPLMSMKL-OXJNMPFZSA-N 2 0 360.473 3.020 20 0 FGADRP COC[C@](C)(O)CC[NH2+][C@@H]1CCCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000453250327 501299530 /nfs/dbraw/zinc/29/95/30/501299530.db2.gz HCZURQDIIOKPCM-FNAHDJPLSA-N 2 0 360.542 3.054 20 0 FGADRP c1nc2c([nH]1)C[C@H]([NH2+][C@H]1CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@H]31)CC2 ZINC000453252986 501300020 /nfs/dbraw/zinc/30/00/20/501300020.db2.gz MYOWOBKDUGJDOV-MDPIYQRISA-N 2 0 350.510 3.300 20 0 FGADRP CO[C@@H]1COCC[C@@H]1C[NH2+][C@@H]1CCCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000453316730 501313857 /nfs/dbraw/zinc/31/38/57/501313857.db2.gz JXRDZWHOIQOYDD-XNBWIAOKSA-N 2 0 372.553 3.318 20 0 FGADRP CC(=O)N1CCCN(C[C@@H]2CCC[N@H+](C[C@H]3CCCCC3(F)F)C2)CC1 ZINC000451533219 501314994 /nfs/dbraw/zinc/31/49/94/501314994.db2.gz VRBOMMAULMNOTG-RBUKOAKNSA-N 2 0 371.516 3.078 20 0 FGADRP C[C@H]1C[C@@H](NC(=O)N2CCC(CCC[NH+]3CCCC3)CC2)c2nccn21 ZINC000455484920 501315297 /nfs/dbraw/zinc/31/52/97/501315297.db2.gz NJURBNQCQFHVKW-FUHWJXTLSA-N 2 0 359.518 3.187 20 0 FGADRP C[N@H+](CCCC[NH2+]Cc1ccc(I)cc1)C1CC1 ZINC000453598033 501357508 /nfs/dbraw/zinc/35/75/08/501357508.db2.gz PAUXMSNVSVUHFS-UHFFFAOYSA-N 2 0 358.267 3.255 20 0 FGADRP C[NH+](C)[C@H]1CCc2cc(NC(=O)N3CCN(Cc4ccco4)CC3)ccc21 ZINC000455859235 501401405 /nfs/dbraw/zinc/40/14/05/501401405.db2.gz JGUIUELRZDENOO-FQEVSTJZSA-N 2 0 368.481 3.178 20 0 FGADRP C[NH+](C)[C@@H]1CCc2cc(NC(=O)NC[C@H]3[N@H+](C)CCCC3(C)C)ccc21 ZINC000455863802 501402156 /nfs/dbraw/zinc/40/21/56/501402156.db2.gz SIJIVVSVHNHVOQ-RTBURBONSA-N 2 0 358.530 3.477 20 0 FGADRP CC[NH+]1CCC(CCNC(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)CC1 ZINC000455942140 501421643 /nfs/dbraw/zinc/42/16/43/501421643.db2.gz UOOCOYFCDOGNMT-FQEVSTJZSA-N 2 0 358.530 3.479 20 0 FGADRP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)NCC[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000458396850 501435729 /nfs/dbraw/zinc/43/57/29/501435729.db2.gz DCZLDQDXQLQRQD-MOPGFXCFSA-N 2 0 372.557 3.243 20 0 FGADRP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000458512551 501463340 /nfs/dbraw/zinc/46/33/40/501463340.db2.gz YIHPTPBSZPJJDD-TYPHKJRUSA-N 2 0 372.557 3.164 20 0 FGADRP C[C@H]1CN(C(=O)c2ccccc2C[NH+](C)C)CC[N@H+](Cc2ccccc2)C1 ZINC000456353606 501507613 /nfs/dbraw/zinc/50/76/13/501507613.db2.gz ZQFDWLCNTVRXJX-LJQANCHMSA-N 2 0 365.521 3.342 20 0 FGADRP C[NH+](C)CCCC(C)(C)NC(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000454322630 501513341 /nfs/dbraw/zinc/51/33/41/501513341.db2.gz OHBKDXAVUNPDOG-UHFFFAOYSA-N 2 0 360.546 3.071 20 0 FGADRP Cc1ccccc1[C@H]([C@H](C)NC(=O)NC(C)(C)CCC[NH+](C)C)[NH+](C)C ZINC000458760777 501525357 /nfs/dbraw/zinc/52/53/57/501525357.db2.gz HAWKPDAQXCXGGJ-HKUYNNGSSA-N 2 0 362.562 3.406 20 0 FGADRP CCc1ccc([C@@H](CNC(=O)N(C)C[C@@H]2CC[N@H+](C)C2)[NH+](CC)CC)cc1 ZINC000458793584 501532827 /nfs/dbraw/zinc/53/28/27/501532827.db2.gz NNMHKNFPPWXSDI-TZIWHRDSSA-N 2 0 374.573 3.225 20 0 FGADRP C[C@@H]1C[N@@H+](CCCC[NH2+]Cc2cccc(O)c2Br)C[C@H](C)O1 ZINC000459385528 501643859 /nfs/dbraw/zinc/64/38/59/501643859.db2.gz JNPHWPBTXJIRIP-OKILXGFUSA-N 2 0 371.319 3.134 20 0 FGADRP C[N@H+]1CC=C(C[NH2+]Cc2cn(C3CCCC3)nc2-c2ccccn2)CC1 ZINC000459472364 501659494 /nfs/dbraw/zinc/65/94/94/501659494.db2.gz WESWELPCSOEMJK-UHFFFAOYSA-N 2 0 351.498 3.412 20 0 FGADRP Cc1cc(C[NH3+])cc(NC(=O)c2ccc(N3CC[NH+](C(C)C)CC3)cc2)c1 ZINC000457382395 501690878 /nfs/dbraw/zinc/69/08/78/501690878.db2.gz RSFCDBSTXQSXSR-UHFFFAOYSA-N 2 0 366.509 3.236 20 0 FGADRP C[NH+](C)CCCC(C)(C)NC(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000457443387 501699045 /nfs/dbraw/zinc/69/90/45/501699045.db2.gz NEVZSYBXNAGMQS-KRWDZBQOSA-N 2 0 364.534 3.226 20 0 FGADRP CN(c1ccccc1C[N@@H+]1CC2(CCC2)[C@H]2COC[C@@H]21)C1CC[NH+](C)CC1 ZINC000459693715 501699806 /nfs/dbraw/zinc/69/98/06/501699806.db2.gz ZUHNKSJIECJOFB-UNMCSNQZSA-N 2 0 369.553 3.218 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)NCC[C@H]1CCC[N@H+](C)C1)c1ccccc1 ZINC000457457433 501702029 /nfs/dbraw/zinc/70/20/29/501702029.db2.gz NQTKMAIVSPVTHG-UYAOXDASSA-N 2 0 360.546 3.101 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)N(C)[C@H]1CC[N@@H+](C(C)C)C1)c1ccccc1 ZINC000457464567 501703794 /nfs/dbraw/zinc/70/37/94/501703794.db2.gz VXCMBWSDHOMTQW-PMACEKPBSA-N 2 0 360.546 3.194 20 0 FGADRP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)C1 ZINC000457500242 501711668 /nfs/dbraw/zinc/71/16/68/501711668.db2.gz XHJXBWHNIDUNOL-IAGOWNOFSA-N 2 0 364.559 3.009 20 0 FGADRP C[N@@H+]1CCC[C@H](CC[NH2+]Cc2ccc(I)cc2)C1 ZINC000459800218 501715710 /nfs/dbraw/zinc/71/57/10/501715710.db2.gz ZHTKKMIGAUTDDK-CQSZACIVSA-N 2 0 358.267 3.113 20 0 FGADRP CO[C@H]1C[NH+](Cc2ccc(C[N@@H+]3CC[C@H](C)[C@H](OC)C3)cc2)CC[C@@H]1C ZINC000467286946 501758534 /nfs/dbraw/zinc/75/85/34/501758534.db2.gz BSMQKIQQPONZMW-YHDSQAASSA-N 2 0 360.542 3.400 20 0 FGADRP CCCN(CCC[NH+](C)C)C(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000470669957 501760840 /nfs/dbraw/zinc/76/08/40/501760840.db2.gz SMIKTZXBZMPZGT-UHFFFAOYSA-N 2 0 359.558 3.479 20 0 FGADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC2CC([NH+]3CCCCC3)C2)C1 ZINC000474339223 501795768 /nfs/dbraw/zinc/79/57/68/501795768.db2.gz VEEFYBAUVOQJIT-LMDPOFIKSA-N 2 0 364.578 3.203 20 0 FGADRP CC(C)[N@@H+](C)C[C@H](C)NC(=O)NC1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC000460359441 501803807 /nfs/dbraw/zinc/80/38/07/501803807.db2.gz FNSWPKPBHNMKJP-QRVBRYPASA-N 2 0 374.573 3.171 20 0 FGADRP Cc1ccccc1[C@@H]([C@@H](C)NC(=O)NC1CC[NH+](CC(C)C)CC1)[NH+](C)C ZINC000477877171 501818016 /nfs/dbraw/zinc/81/80/16/501818016.db2.gz KLDXNRAYHALGPU-WIYYLYMNSA-N 2 0 374.573 3.406 20 0 FGADRP CC[NH+](CC)CCOc1ccc(C(=O)NC2CC([NH+]3CCCCC3)C2)cc1 ZINC000477949642 501837832 /nfs/dbraw/zinc/83/78/32/501837832.db2.gz GMQPJJQVXYZTSP-UHFFFAOYSA-N 2 0 373.541 3.154 20 0 FGADRP CCOC[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(CN2CC[NH+](CC)CC2)cc1 ZINC000474464890 501845058 /nfs/dbraw/zinc/84/50/58/501845058.db2.gz VGDZSZTYXFPBHP-FCHUYYIVSA-N 2 0 359.558 3.119 20 0 FGADRP CCOC[C@@H]1CCC[C@H]1[NH2+]CCCN1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000474467830 501845490 /nfs/dbraw/zinc/84/54/90/501845490.db2.gz LIUIFKVEQVUUMJ-BDTNDASRSA-N 2 0 359.558 3.160 20 0 FGADRP C[C@@H]([NH2+]CCCN1CC[NH+](Cc2ccccc2)CC1)C1CCSCC1 ZINC000474468173 501845817 /nfs/dbraw/zinc/84/58/17/501845817.db2.gz JRGKQTFYWVZPMR-LJQANCHMSA-N 2 0 361.599 3.316 20 0 FGADRP [NH3+]CCN(Cc1ccccc1)C(=O)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000467697914 501846738 /nfs/dbraw/zinc/84/67/38/501846738.db2.gz UQVNPKPCBHHVIJ-HXUWFJFHSA-N 2 0 369.484 3.025 20 0 FGADRP Cc1ccccc1-n1nccc1C[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000474474125 501848463 /nfs/dbraw/zinc/84/84/63/501848463.db2.gz QUPBVDAVAUZHGA-UHFFFAOYSA-N 2 0 364.493 3.411 20 0 FGADRP Cn1c2ccccc2nc1CC[N@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000471011110 501891448 /nfs/dbraw/zinc/89/14/48/501891448.db2.gz YXSFLYRLPLQKFE-BGYRXZFFSA-N 2 0 360.505 3.180 20 0 FGADRP CC(C)[C@@H](C[NH2+][C@H](C)Cc1ccccc1C(F)(F)F)N1CC[NH+](C)CC1 ZINC000481920336 501919370 /nfs/dbraw/zinc/91/93/70/501919370.db2.gz UXTWXNHKXOZYOD-VQIMIIECSA-N 2 0 371.491 3.498 20 0 FGADRP c1ccc(C[NH+]2CCN(CC[NH2+][C@H](c3cccnc3)C3CCC3)CC2)cc1 ZINC000481930979 501922543 /nfs/dbraw/zinc/92/25/43/501922543.db2.gz HXSSUVWSZWLOIM-QHCPKHFHSA-N 2 0 364.537 3.330 20 0 FGADRP CC(C)C[C@H](CNC(=O)NCC1CC[NH+](C)CC1)[NH2+][C@H](C)c1ccccc1 ZINC000468024632 501933366 /nfs/dbraw/zinc/93/33/66/501933366.db2.gz BJBAQRPMXITGCZ-WIYYLYMNSA-N 2 0 374.573 3.393 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)CC[NH+]1CCc2ccccc2C1 ZINC000474737292 501938220 /nfs/dbraw/zinc/93/82/20/501938220.db2.gz NCDOPDOSCZOILU-LJQANCHMSA-N 2 0 357.542 3.206 20 0 FGADRP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)NCC[C@H](C)[NH+]1CCCCC1 ZINC000460879086 501947856 /nfs/dbraw/zinc/94/78/56/501947856.db2.gz IOOAHYGIRAFMQY-MOPGFXCFSA-N 2 0 360.546 3.071 20 0 FGADRP COc1ccc([C@H](C)[C@H](C)[NH2+]CC2(O)CC[NH+](C(C)C)CC2)cc1OC ZINC000474792857 501954055 /nfs/dbraw/zinc/95/40/55/501954055.db2.gz BTFZASKDXHIZQQ-SJORKVTESA-N 2 0 364.530 3.021 20 0 FGADRP CC(C)(CNC(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1)C[NH+]1CCCC1 ZINC000478409590 501972167 /nfs/dbraw/zinc/97/21/67/501972167.db2.gz ZNEZHAILYWARMQ-FQEVSTJZSA-N 2 0 372.557 3.245 20 0 FGADRP CC[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@@H](Cc3ccc(C(C)C)cc3)C2)CC1 ZINC000460967134 501973895 /nfs/dbraw/zinc/97/38/95/501973895.db2.gz CGHPORHMFLNVFG-FQEVSTJZSA-N 2 0 371.569 3.275 20 0 FGADRP CC[C@@H]([NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1)c1cccc(OC)c1 ZINC000482111789 501977967 /nfs/dbraw/zinc/97/79/67/501977967.db2.gz SIJAKMLBTUYLGY-JOCHJYFZSA-N 2 0 368.525 3.343 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCC(=O)N1CCCCCC1 ZINC000482113380 501978497 /nfs/dbraw/zinc/97/84/97/501978497.db2.gz JTRGQPXXEWVJGO-TZIWHRDSSA-N 2 0 357.542 3.279 20 0 FGADRP C[C@@H]1C[NH+](CC2CC[NH+](CCCc3ccc4c(c3)CCO4)CC2)C[C@@H](C)O1 ZINC000482169292 501996853 /nfs/dbraw/zinc/99/68/53/501996853.db2.gz ZSYZLSJMOABFKS-RTBURBONSA-N 2 0 372.553 3.375 20 0 FGADRP CN1CCC([NH+]2CCC(CC[N@H+](C)C[C@@H](O)CC3CCCC3)CC2)CC1 ZINC000475037346 502030622 /nfs/dbraw/zinc/03/06/22/502030622.db2.gz CUPCVUUZGBWPKZ-QFIPXVFZSA-N 2 0 365.606 3.056 20 0 FGADRP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000461259979 502054131 /nfs/dbraw/zinc/05/41/31/502054131.db2.gz GBWRDNQSILZXBF-SFTDATJTSA-N 2 0 357.542 3.231 20 0 FGADRP CN(C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475100680 502058831 /nfs/dbraw/zinc/05/88/31/502058831.db2.gz KACXEBGRGSCLHO-UXHICEINSA-N 2 0 374.573 3.269 20 0 FGADRP CC[NH+]1CCC(CCNC(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000475106676 502061702 /nfs/dbraw/zinc/06/17/02/502061702.db2.gz BTMPVCFFXXAEHM-OAQYLSRUSA-N 2 0 372.557 3.024 20 0 FGADRP C[NH+](C)[C@@H](CNC(=O)c1ccc(Nc2cc[nH+]cc2)cc1)C1CCCCC1 ZINC000468469032 502067895 /nfs/dbraw/zinc/06/78/95/502067895.db2.gz UFWGBOVVDCCHDR-NRFANRHFSA-N 2 0 366.509 3.487 20 0 FGADRP CCC1(CC)C[N@H+](CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)CCS1 ZINC000475128313 502069697 /nfs/dbraw/zinc/06/96/97/502069697.db2.gz LLGAZUWAOGGLRW-GOSISDBHSA-N 2 0 363.571 3.013 20 0 FGADRP Cc1ccccc1[C@@H](C)[NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000482452141 502072117 /nfs/dbraw/zinc/07/21/17/502072117.db2.gz ACTRHVPIVAXUMQ-LJQANCHMSA-N 2 0 353.514 3.038 20 0 FGADRP Cc1cc(C)cc([C@@H](C)[NH2+]CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)c1 ZINC000475149554 502082224 /nfs/dbraw/zinc/08/22/24/502082224.db2.gz PJCXEXXNYHATKX-WIYYLYMNSA-N 2 0 353.510 3.373 20 0 FGADRP Cc1ccc(C[N@H+]2CCCN(C(=O)C[NH2+][C@@H]3CCCC[C@H]3C)CC2)cc1 ZINC000475157364 502085427 /nfs/dbraw/zinc/08/54/27/502085427.db2.gz YOTIBRMZRFYRIM-TZIWHRDSSA-N 2 0 357.542 3.198 20 0 FGADRP CC(C)Sc1ccc([C@H](C)[NH2+]CCC[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000482553562 502108789 /nfs/dbraw/zinc/10/87/89/502108789.db2.gz JGIYVYHTXIBTQJ-FUHWJXTLSA-N 2 0 363.571 3.425 20 0 FGADRP CC[NH+]1CCC(NC(=O)C[N@H+](Cc2cccc(F)c2)C2CCCC2)CC1 ZINC000464865624 502128364 /nfs/dbraw/zinc/12/83/64/502128364.db2.gz IRCDXJCQBAMCMO-UHFFFAOYSA-N 2 0 361.505 3.171 20 0 FGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCCC[NH+](Cc2ccccc2)C1 ZINC000461473185 502128397 /nfs/dbraw/zinc/12/83/97/502128397.db2.gz QCWFVZLYMGDBHO-NHCUHLMSSA-N 2 0 357.542 3.279 20 0 FGADRP COC1CC[NH+](C(C)(C)CN[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000482636765 502134926 /nfs/dbraw/zinc/13/49/26/502134926.db2.gz MNXQVNFCROUFEQ-KNQAVFIVSA-N 2 0 373.585 3.376 20 0 FGADRP Cc1ncc([C@H](C)[NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)c(C)n1 ZINC000482868860 502202691 /nfs/dbraw/zinc/20/26/91/502202691.db2.gz RIWSQUKKUJLAHN-INIZCTEOSA-N 2 0 354.498 3.419 20 0 FGADRP C[C@@H](CNC(=O)N[C@@H](C)[C@@H](c1ccccc1)[NH+](C)C)[N@@H+]1CCCC[C@@H]1C ZINC000479270114 502212299 /nfs/dbraw/zinc/21/22/99/502212299.db2.gz DNHIUCSLLVQOHH-JPLJXNOCSA-N 2 0 360.546 3.240 20 0 FGADRP CC[N@H+](C)Cc1cccc(CNC(=O)N[C@@H](C)C[NH+]2CCCCCC2)c1 ZINC000482920430 502217890 /nfs/dbraw/zinc/21/78/90/502217890.db2.gz METZOUYVORFPST-SFHVURJKSA-N 2 0 360.546 3.202 20 0 FGADRP COc1c[nH+]ccc1N1CC[NH+](CCCCCOc2ccccc2)CC1 ZINC000475620716 502230460 /nfs/dbraw/zinc/23/04/60/502230460.db2.gz SLTPKOSKXUITPP-UHFFFAOYSA-N 2 0 355.482 3.462 20 0 FGADRP CCCN(CC[NH+]1CCCC1)C(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000479342912 502230589 /nfs/dbraw/zinc/23/05/89/502230589.db2.gz HFGUSWCNQOMABL-UHFFFAOYSA-N 2 0 352.567 3.158 20 0 FGADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](C)CCCCN2C(=O)c3ccccc3C2=O)C1 ZINC000472139917 502245880 /nfs/dbraw/zinc/24/58/80/502245880.db2.gz IYJNOHFNAIKUMG-QZTJIDSGSA-N 2 0 371.525 3.163 20 0 FGADRP CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCC1([NH+](C)C)CCCC1 ZINC000465406657 502252865 /nfs/dbraw/zinc/25/28/65/502252865.db2.gz JMSLEIQPWQWTDW-HXUWFJFHSA-N 2 0 372.557 3.024 20 0 FGADRP C[NH+](C)CCOCC[NH2+][C@@H](c1ccc(Br)cc1F)C1CC1 ZINC000479457387 502265421 /nfs/dbraw/zinc/26/54/21/502265421.db2.gz VORMINDNIHLOGT-MRXNPFEDSA-N 2 0 359.283 3.207 20 0 FGADRP C[C@@H]1CCCN1C(=O)CC[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000475727568 502267461 /nfs/dbraw/zinc/26/74/61/502267461.db2.gz FKYHVRFWHBNEAI-NFBKMPQASA-N 2 0 369.553 3.376 20 0 FGADRP CC[N@@H+](CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)CC1CCC1 ZINC000483129463 502283952 /nfs/dbraw/zinc/28/39/52/502283952.db2.gz LAUKAXXPTMLUTG-UHFFFAOYSA-N 2 0 361.555 3.296 20 0 FGADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](CCC(=O)Nc2ccccc2Cl)C1 ZINC000472295435 502303876 /nfs/dbraw/zinc/30/38/76/502303876.db2.gz RDUPTKKMMLVTBC-INIZCTEOSA-N 2 0 367.921 3.101 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CNC(=O)NCc1ccc(C[NH+]2CCCC[C@H]2C)cc1 ZINC000465556786 502306559 /nfs/dbraw/zinc/30/65/59/502306559.db2.gz BOQCTSIHQCOUQT-NQIIRXRSSA-N 2 0 372.557 3.345 20 0 FGADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)NC[C@H](C(CC)CC)[NH+]2CCCC2)C1 ZINC000465563011 502308107 /nfs/dbraw/zinc/30/81/07/502308107.db2.gz FKDGWVPIXKQMRA-AZUAARDMSA-N 2 0 366.594 3.260 20 0 FGADRP C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)N[C@@H]3CC[NH+](C)[C@H](C)C3)cc2)C1 ZINC000465570639 502311621 /nfs/dbraw/zinc/31/16/21/502311621.db2.gz MWPYGAKCEZCZFW-DBXWQHBBSA-N 2 0 372.557 3.200 20 0 FGADRP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000465623897 502329198 /nfs/dbraw/zinc/32/91/98/502329198.db2.gz GMPXEPUMUOKFOB-GOSISDBHSA-N 2 0 352.567 3.157 20 0 FGADRP COC(=O)c1coc(C[N@@H+]2CCCC[C@@H]2[C@@H](C[NH3+])Cc2ccccc2)c1 ZINC000472363875 502330581 /nfs/dbraw/zinc/33/05/81/502330581.db2.gz ABDZKJPPMMSGIK-YLJYHZDGSA-N 2 0 356.466 3.238 20 0 FGADRP Cc1[nH]nc2ncc(C[N@@H+]3CCCC[C@H]3[C@H](C[NH3+])Cc3ccccc3)cc12 ZINC000472376857 502334778 /nfs/dbraw/zinc/33/47/78/502334778.db2.gz ZINOPDNGIJZRQN-FPOVZHCZSA-N 2 0 363.509 3.438 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCc1ccc(C(C)C)cc1 ZINC000465735952 502363963 /nfs/dbraw/zinc/36/39/63/502363963.db2.gz BXYQLILTSRLNSW-OAQYLSRUSA-N 2 0 374.573 3.368 20 0 FGADRP Cc1ccc(C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)c(F)c1Cl ZINC000469293322 502365487 /nfs/dbraw/zinc/36/54/87/502365487.db2.gz WAYWSGVDLQJSTL-UHFFFAOYSA-N 2 0 357.901 3.133 20 0 FGADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)N(C)CC[C@H]2CCCC[NH+]2C)C1 ZINC000465758089 502373554 /nfs/dbraw/zinc/37/35/54/502373554.db2.gz PDUIBSBLLFKXDL-HLAWJBBLSA-N 2 0 372.557 3.338 20 0 FGADRP CC(C)c1nc2c([nH]1)C[C@H](C(=O)N[C@H]1CC[N@H+](CC3CCCC3)C1)CC2 ZINC000476190483 502408535 /nfs/dbraw/zinc/40/85/35/502408535.db2.gz MBIDMCYSDCHJBN-SJORKVTESA-N 2 0 358.530 3.019 20 0 FGADRP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CC[C@@H]([NH+](CC)CC)C2)C1 ZINC000465906564 502423460 /nfs/dbraw/zinc/42/34/60/502423460.db2.gz YIPTUHOAGNBSNE-ZWKOTPCHSA-N 2 0 352.567 3.013 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@H](C)Oc2cccc(F)c2)[C@H](C)C1 ZINC000483538068 502425144 /nfs/dbraw/zinc/42/51/44/502425144.db2.gz LHOJOVFUJMJGCQ-UWVAXJGDSA-N 2 0 352.494 3.320 20 0 FGADRP C[C@@H](C[NH+]1CCCCCC1)NC(=O)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000483646084 502452066 /nfs/dbraw/zinc/45/20/66/502452066.db2.gz RYPCTYNYKJFVKG-FQEVSTJZSA-N 2 0 372.557 3.168 20 0 FGADRP CC[NH+](CC)[C@@H]1CCN(C(=O)NC2CC[NH+]([C@@H](C)c3ccccc3)CC2)C1 ZINC000466018550 502455841 /nfs/dbraw/zinc/45/58/41/502455841.db2.gz OQXJAYIPTXZJGU-GHTZIAJQSA-N 2 0 372.557 3.338 20 0 FGADRP CC(C)[N@@H+]1CCCN(C(=O)NC[C@H](C2CC2)[NH+](C)Cc2ccccc2)CC1 ZINC000483676510 502459901 /nfs/dbraw/zinc/45/99/01/502459901.db2.gz CNEUPWNUEFMQHR-OAQYLSRUSA-N 2 0 372.557 3.023 20 0 FGADRP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000466041101 502463983 /nfs/dbraw/zinc/46/39/83/502463983.db2.gz WCLCCOBXBDDQDV-NRSPTQNISA-N 2 0 372.557 3.023 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@@H](C2CCCCC2)[NH+](C)C)C[C@@H]1C ZINC000483712171 502472070 /nfs/dbraw/zinc/47/20/70/502472070.db2.gz MFDRSXJFFRRHHC-WDSOQIARSA-N 2 0 352.567 3.011 20 0 FGADRP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N(C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000462527417 502475945 /nfs/dbraw/zinc/47/59/45/502475945.db2.gz RKNIZDIFIGXRKI-SBHAEUEKSA-N 2 0 374.573 3.410 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NCC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)C[C@@H]1C ZINC000483754000 502483549 /nfs/dbraw/zinc/48/35/49/502483549.db2.gz ARCUQQFDBSTHQS-YRXWBPOGSA-N 2 0 366.594 3.257 20 0 FGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCCn2cnc3ccccc32)[C@@H](C)C1 ZINC000480147609 502483600 /nfs/dbraw/zinc/48/36/00/502483600.db2.gz QUXULYHOIYCHOG-RBUKOAKNSA-N 2 0 358.530 3.153 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NCC(C)(C)[NH+]2C[C@H](C)C[C@H](C)C2)C[C@@H]1C ZINC000483753999 502483842 /nfs/dbraw/zinc/48/38/42/502483842.db2.gz ARCUQQFDBSTHQS-RDGPPVDQSA-N 2 0 366.594 3.257 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NCCCCC[NH+]2CCCCC2)C[C@H]1C ZINC000483822120 502501257 /nfs/dbraw/zinc/50/12/57/502501257.db2.gz RZFOFXYPPFMIPP-MOPGFXCFSA-N 2 0 352.567 3.157 20 0 FGADRP COc1ccc(OC)c(C[NH2+][C@H](C)c2ccc(OCC[NH+](C)C)cc2)c1 ZINC000480246283 502510936 /nfs/dbraw/zinc/51/09/36/502510936.db2.gz YIFBFKOHKKVYND-MRXNPFEDSA-N 2 0 358.482 3.495 20 0 FGADRP CC(C)c1nn(-c2ccccc2)cc1C[NH2+][C@H](C)CCN1CC[NH+](C)CC1 ZINC000473076756 502514722 /nfs/dbraw/zinc/51/47/22/502514722.db2.gz YHKJBTLKVCSIRN-LJQANCHMSA-N 2 0 369.557 3.111 20 0 FGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000469753391 502532828 /nfs/dbraw/zinc/53/28/28/502532828.db2.gz SNYFCEOLCJUSKG-SJORKVTESA-N 2 0 371.447 3.299 20 0 FGADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCC2([NH+](C)C)CCCC2)C1 ZINC000476632419 502544935 /nfs/dbraw/zinc/54/49/35/502544935.db2.gz SUTJGEIYDLOUPB-QGZVFWFLSA-N 2 0 352.567 3.061 20 0 FGADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N[C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000473277998 502557230 /nfs/dbraw/zinc/55/72/30/502557230.db2.gz CWGXCKUSMVCSPN-XPEFGHIFSA-N 2 0 357.542 3.132 20 0 FGADRP C[NH+](C)Cc1ccsc1C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000473289136 502559902 /nfs/dbraw/zinc/55/99/02/502559902.db2.gz AYDKRONYZGNNQB-QGZVFWFLSA-N 2 0 357.523 3.062 20 0 FGADRP C[C@H]1C[C@H](NC(=O)NCCC[NH+]2CCC(C)CC2)C[N@@H+]1Cc1ccccc1 ZINC000466421343 502566713 /nfs/dbraw/zinc/56/67/13/502566713.db2.gz DGIDSIDAPKSWMG-FPOVZHCZSA-N 2 0 372.557 3.071 20 0 FGADRP Cn1nc2c(c1C[NH2+][C@@H]1CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]13)CCCC2 ZINC000462814516 502585800 /nfs/dbraw/zinc/58/58/00/502585800.db2.gz FYZHSFPACROZDM-HLAWJBBLSA-N 2 0 364.537 3.299 20 0 FGADRP Cc1ccc(-c2ccc(C[N@@H+]3CCC[C@@H](C(=O)NCC[NH3+])C3)s2)cc1 ZINC000470002811 502626739 /nfs/dbraw/zinc/62/67/39/502626739.db2.gz LYOVLLBOMJNQGR-QGZVFWFLSA-N 2 0 357.523 3.010 20 0 FGADRP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CCc4c3cccc4OC)cn2)CC1 ZINC000480703233 502648802 /nfs/dbraw/zinc/64/88/02/502648802.db2.gz JSMWDFSTUPGHCF-HXUWFJFHSA-N 2 0 366.509 3.009 20 0 FGADRP COc1ccc2oc([C@H](C)[NH2+]CCN3CCC([NH+](C)C)CC3)c(C)c2c1 ZINC000484477476 502649894 /nfs/dbraw/zinc/64/98/94/502649894.db2.gz AQOCIKCWANXCGJ-INIZCTEOSA-N 2 0 359.514 3.426 20 0 FGADRP CC(C)(C)[C@@H]1C[C@H]([NH2+]CCCN2CCN(c3cc[nH+]cc3)CC2)CS1 ZINC000488415841 502708519 /nfs/dbraw/zinc/70/85/19/502708519.db2.gz JLQLNSIXLBZPGR-HKUYNNGSSA-N 2 0 362.587 3.104 20 0 FGADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)NCc2ccc(CC[NH+](C)C)cc2)C1 ZINC000466878352 502711712 /nfs/dbraw/zinc/71/17/12/502711712.db2.gz RWKMMTOELZVVFY-LJQANCHMSA-N 2 0 374.573 3.102 20 0 FGADRP C[C@H](Cn1cccn1)[NH2+]CCc1ccc(OCC[N@@H+]2C[C@H](C)[C@H](C)C2)cc1 ZINC000470310750 502732392 /nfs/dbraw/zinc/73/23/92/502732392.db2.gz WIOCMFSNOVNSOX-HSALFYBXSA-N 2 0 370.541 3.071 20 0 FGADRP Cc1ccccc1[C@@H]([C@H](C)NC(=O)NC1CC[NH+](CC2CC2)CC1)[NH+](C)C ZINC000484772323 502737147 /nfs/dbraw/zinc/73/71/47/502737147.db2.gz PRUBJDWGEFJYEQ-LAUBAEHRSA-N 2 0 372.557 3.160 20 0 FGADRP C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)c2ccc3c(c2)C[NH2+]C3)CC1 ZINC000470362755 502750525 /nfs/dbraw/zinc/75/05/25/502750525.db2.gz OXAYGQJUZWGOCX-UHFFFAOYSA-N 2 0 363.505 3.274 20 0 FGADRP CC1CC[NH+]([C@H](CNC(=O)c2ccc3c(c2)C[NH2+]C3)c2ccccc2)CC1 ZINC000470376601 502755038 /nfs/dbraw/zinc/75/50/38/502755038.db2.gz SIPMJQKFYREYBD-JOCHJYFZSA-N 2 0 363.505 3.493 20 0 FGADRP Cc1cc([C@H]2CCC[N@@H+]2CCOCC[NH+]2CCC[C@H]2c2cc(C)no2)on1 ZINC000488587855 502759258 /nfs/dbraw/zinc/75/92/58/502759258.db2.gz RAQSZSXQISAQML-HDICACEKSA-N 2 0 374.485 3.270 20 0 FGADRP CC[N@@H+]1CC[C@H]([NH+](C)CCC(=O)N[C@@H]2CCCc3ccccc32)C[C@H]1C ZINC000484918749 502776437 /nfs/dbraw/zinc/77/64/37/502776437.db2.gz IRBYNWXBBAXHOU-SLYNCCJLSA-N 2 0 357.542 3.375 20 0 FGADRP CCN(C(=O)NCC[NH+](CC)C1CC1)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000474019721 502781576 /nfs/dbraw/zinc/78/15/76/502781576.db2.gz XASHFDDACFODDB-WIYYLYMNSA-N 2 0 372.557 3.338 20 0 FGADRP Cc1ccc(C)c(NC(=O)Cc2nc(CN3CC[C@H]([C@@H](C)[NH3+])C3)cs2)c1 ZINC000484947713 502784348 /nfs/dbraw/zinc/78/43/48/502784348.db2.gz QKRJSXMPZSBPCS-CVEARBPZSA-N 2 0 372.538 3.110 20 0 FGADRP CC(C)[NH+](CCN(C)C(=O)NCc1ccc(CC[NH+](C)C)cc1)C(C)C ZINC000467095153 502785755 /nfs/dbraw/zinc/78/57/55/502785755.db2.gz SKBKGKHZXSUSPC-UHFFFAOYSA-N 2 0 362.562 3.051 20 0 FGADRP CC(C)[NH+](CCCNC(=O)NC[C@]1([NH+](C)C)CCC[C@H](C)C1)C(C)C ZINC000470491360 502795017 /nfs/dbraw/zinc/79/50/17/502795017.db2.gz ZWQLFMKWKBWZJQ-ICSRJNTNSA-N 2 0 354.583 3.305 20 0 FGADRP CC[NH+](CC)CCNC(=O)NCc1ccc(C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000500686611 502840210 /nfs/dbraw/zinc/84/02/10/502840210.db2.gz MAVUVSNSCPVLSF-RTBURBONSA-N 2 0 374.573 3.306 20 0 FGADRP CC[NH+](CC)Cc1ccc(C(=O)N(CC[NH+](C)C)Cc2ccccn2)cc1 ZINC000500766723 502858677 /nfs/dbraw/zinc/85/86/77/502858677.db2.gz IFPZRSPQCYDEPK-UHFFFAOYSA-N 2 0 368.525 3.127 20 0 FGADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)NCCCCC[NH+]1CCCCC1 ZINC000500858673 502879750 /nfs/dbraw/zinc/87/97/50/502879750.db2.gz KPMSSQHLCCKEEK-LJQANCHMSA-N 2 0 352.567 3.206 20 0 FGADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)N[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000500859614 502880089 /nfs/dbraw/zinc/88/00/89/502880089.db2.gz BCEJPPICCSLSHU-SFTDATJTSA-N 2 0 372.557 3.215 20 0 FGADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)NCCC[NH+](C)Cc1ccccc1 ZINC000500869282 502882165 /nfs/dbraw/zinc/88/21/65/502882165.db2.gz QRPXWOOZIKOOPB-HXUWFJFHSA-N 2 0 360.546 3.072 20 0 FGADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)NCCCC[NH+]1CCCC[C@@H]1C ZINC000501043680 502920885 /nfs/dbraw/zinc/92/08/85/502920885.db2.gz DIXKDLDZIOHIPO-OALUTQOASA-N 2 0 352.567 3.205 20 0 FGADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)NC[C@@H](C1CCCCC1)[NH+](C)C ZINC000501069426 502926824 /nfs/dbraw/zinc/92/68/24/502926824.db2.gz PJNCQKFATKEVCZ-OALUTQOASA-N 2 0 352.567 3.061 20 0 FGADRP [NH3+][C@@H](C(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2)c1ccccc1 ZINC000497330719 502932751 /nfs/dbraw/zinc/93/27/51/502932751.db2.gz CNJQCZDAUPJECD-GGAORHGYSA-N 2 0 363.505 3.201 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)NCC[N@@H+]1CCCC[C@@H]1C)c1ccsc1 ZINC000501161798 502951823 /nfs/dbraw/zinc/95/18/23/502951823.db2.gz GNSYWPOGJTXGSL-FUHWJXTLSA-N 2 0 366.575 3.305 20 0 FGADRP C[C@H]1C[C@H](CC[NH2+]Cc2ccc(C(N)=O)cc2)C[N@@H+]1Cc1ccccc1 ZINC000513493713 502952055 /nfs/dbraw/zinc/95/20/55/502952055.db2.gz CGLMILIYUXBSGB-PXNSSMCTSA-N 2 0 351.494 3.176 20 0 FGADRP CNC(=O)c1ccc(C[NH2+]CC[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)cc1 ZINC000513510941 502955967 /nfs/dbraw/zinc/95/59/67/502955967.db2.gz GRGNBZWIXGDAPU-WIYYLYMNSA-N 2 0 365.521 3.437 20 0 FGADRP CC[N@@H+]1CC[C@@H](N(C)CCC[NH+]2CCN(c3ccccc3)CC2)C[C@H]1C ZINC000509664764 502961433 /nfs/dbraw/zinc/96/14/33/502961433.db2.gz IJWQSSICOSAUFO-IFMALSPDSA-N 2 0 358.574 3.003 20 0 FGADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)NCC[N@@H+]1CCCC[C@H]1C)c1ccccc1 ZINC000489535968 502980586 /nfs/dbraw/zinc/98/05/86/502980586.db2.gz IHUJCSAPCDCFLV-QZTJIDSGSA-N 2 0 360.546 3.289 20 0 FGADRP C[C@@H]1C[C@@H](NC(=O)N2C[C@@H](C)[N@H+](Cc3ccccc3)C[C@H]2C)c2nccn21 ZINC000582649146 506345610 /nfs/dbraw/zinc/34/56/10/506345610.db2.gz LZSJRSWUICRABX-YWTNHNAXSA-N 2 0 367.497 3.193 20 0 FGADRP C[NH+](C)[C@H](CNC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)C1CCCCC1 ZINC000501383868 502997704 /nfs/dbraw/zinc/99/77/04/502997704.db2.gz AOUAJAXSVQRTQO-LEWJYISDSA-N 2 0 372.557 3.071 20 0 FGADRP O=C(NC1CC[NH+](CC2CCCC2)CC1)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000497614874 503000750 /nfs/dbraw/zinc/00/07/50/503000750.db2.gz BFPCHWPOMHLKFI-QFIPXVFZSA-N 2 0 369.553 3.422 20 0 FGADRP CC(C)(C)NC(=O)C[NH2+][C@@H]1CCCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000513707236 503005041 /nfs/dbraw/zinc/00/50/41/503005041.db2.gz ANVNJBHVIWCSMC-HSALFYBXSA-N 2 0 357.542 3.182 20 0 FGADRP O[C@H](C[NH2+]CC(c1ccc(F)cc1)c1ccc(F)cc1)C[NH+]1CCCC1 ZINC000501447465 503011874 /nfs/dbraw/zinc/01/18/74/503011874.db2.gz JJJUZLIYXMEUHP-HXUWFJFHSA-N 2 0 360.448 3.143 20 0 FGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+][C@H](C)COC(C)C)CC1 ZINC000501473834 503015715 /nfs/dbraw/zinc/01/57/15/503015715.db2.gz HRRWSXALXBQARM-SJORKVTESA-N 2 0 351.510 3.432 20 0 FGADRP C[C@@H](CNC(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000501499002 503021706 /nfs/dbraw/zinc/02/17/06/503021706.db2.gz BSHMRJKPZWHYMX-SVFBPWRDSA-N 2 0 372.557 3.243 20 0 FGADRP Clc1cccc(OCC[NH+]2CCC(CC[NH+]3CCOCC3)CC2)c1 ZINC000513816768 503028249 /nfs/dbraw/zinc/02/82/49/503028249.db2.gz UAUCIKZNRNLYAG-UHFFFAOYSA-N 2 0 352.906 3.153 20 0 FGADRP CCc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(CC[NH+]3CCOCC3)CC2)cc1 ZINC000513816347 503028821 /nfs/dbraw/zinc/02/88/21/503028821.db2.gz MBDLKZVTHZGCSM-GOSISDBHSA-N 2 0 373.541 3.010 20 0 FGADRP CC[NH+]1CCN(c2ccc(C[NH2+][C@H]3CCc4c3cccc4F)cn2)CC1 ZINC000513868781 503039817 /nfs/dbraw/zinc/03/98/17/503039817.db2.gz AUBQJYQRGYDRPL-FQEVSTJZSA-N 2 0 354.473 3.140 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1)c1ccccc1 ZINC000489808567 503040024 /nfs/dbraw/zinc/04/00/24/503040024.db2.gz UKRKOWGTFANKBM-SLFFLAALSA-N 2 0 360.546 3.242 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000489810469 503041217 /nfs/dbraw/zinc/04/12/17/503041217.db2.gz XCVAUIKKKBPMIT-WLRLJWMZSA-N 2 0 372.557 3.069 20 0 FGADRP C[NH+](C)[C@@H](CNC(=O)NCCC[N@H+](C)C1CCCCC1)Cc1ccccc1 ZINC000501581520 503043992 /nfs/dbraw/zinc/04/39/92/503043992.db2.gz QBDIMKDRULJGHF-OAQYLSRUSA-N 2 0 374.573 3.113 20 0 FGADRP CO[C@@H](C[NH+]1CCC(C[NH+]2CCOCC2)CC1)c1ccc(Cl)cc1 ZINC000513904390 503045276 /nfs/dbraw/zinc/04/52/76/503045276.db2.gz VOBLRHIBDAOOAA-IBGZPJMESA-N 2 0 352.906 3.072 20 0 FGADRP CC[NH+](CC)CC1CCN(C(=O)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000501758711 503073448 /nfs/dbraw/zinc/07/34/48/503073448.db2.gz LAWVGZVKYATZNK-KDURUIRLSA-N 2 0 366.594 3.118 20 0 FGADRP C[C@H](NC(=O)[C@H](C)[NH+]1[C@H](C)CC[C@H]1C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000497965936 503076751 /nfs/dbraw/zinc/07/67/51/503076751.db2.gz WHNHRTVTZRHJKH-AGRFSFNASA-N 2 0 357.542 3.275 20 0 FGADRP CCc1ccc([C@H](C)NC(=O)C[NH+]2CCC(CCC[NH+](C)C)CC2)cc1 ZINC000501797547 503082706 /nfs/dbraw/zinc/08/27/06/503082706.db2.gz VSTALIOMSFSXDC-SFHVURJKSA-N 2 0 359.558 3.480 20 0 FGADRP C[NH+](C)C[C@@H](NC(=O)CC[C@H]1CCCC[N@@H+]1C)c1ccc(Cl)cc1 ZINC000510293705 503087043 /nfs/dbraw/zinc/08/70/43/503087043.db2.gz AKXBCWFZCURNGK-QZTJIDSGSA-N 2 0 351.922 3.323 20 0 FGADRP CCC[C@H]([NH3+])C(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000498074468 503101350 /nfs/dbraw/zinc/10/13/50/503101350.db2.gz UDMNNHDXYNILFA-XIRDDKMYSA-N 2 0 371.447 3.332 20 0 FGADRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000514186400 503108189 /nfs/dbraw/zinc/10/81/89/503108189.db2.gz JMKFPPMYGZBBOK-UYAOXDASSA-N 2 0 372.557 3.071 20 0 FGADRP CC[N@H+](C)[C@@H](C(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C)c1ccccc1 ZINC000490116335 503111979 /nfs/dbraw/zinc/11/19/79/503111979.db2.gz DJRNHYAGPGVKDB-WOJBJXKFSA-N 2 0 357.473 3.238 20 0 FGADRP CCCC[NH+]1CCC(NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)CC1 ZINC000490167194 503120951 /nfs/dbraw/zinc/12/09/51/503120951.db2.gz GWVCZDAJVUUSNC-WIYYLYMNSA-N 2 0 372.557 3.213 20 0 FGADRP C[C@@H](NC(=O)NCc1ccccc1C[NH+]1CCCCC1)C1=CC[N@H+](C)CC1 ZINC000510514550 503129898 /nfs/dbraw/zinc/12/98/98/503129898.db2.gz UYWXBPXXQLNUQH-GOSISDBHSA-N 2 0 370.541 3.122 20 0 FGADRP CCC[NH+]1CCC(NC(=O)NC[C@@H](Cc2ccccc2)[NH+](CC)CC)CC1 ZINC000502096227 503143463 /nfs/dbraw/zinc/14/34/63/503143463.db2.gz FILSFGOQCAGYQD-OAQYLSRUSA-N 2 0 374.573 3.113 20 0 FGADRP C[N@H+](CCc1ccccc1)[C@H]1CCN(C(=O)Nc2ccc3c(c2)C[NH2+]C3)C1 ZINC000514735424 503180090 /nfs/dbraw/zinc/18/00/90/503180090.db2.gz DCQAKKLCKLQVJA-NRFANRHFSA-N 2 0 364.493 3.071 20 0 FGADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000506828176 503180210 /nfs/dbraw/zinc/18/02/10/503180210.db2.gz SOJPPXDAIAUVEZ-VAMGGRTRSA-N 2 0 364.578 3.157 20 0 FGADRP CC[NH+]1CCC(CCNC(=O)N[C@@H](C)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000498418970 503183378 /nfs/dbraw/zinc/18/33/78/503183378.db2.gz AMJDBEOLIHXAJB-FXAWDEMLSA-N 2 0 360.546 3.099 20 0 FGADRP Cc1nc2cc(CNC(=O)CN(C)Cc3ccccc3)ccc2n1C1CC1 ZINC000510784130 503192275 /nfs/dbraw/zinc/19/22/75/503192275.db2.gz URLYVWHNVCPGIJ-UHFFFAOYSA-N 2 0 362.477 3.428 20 0 FGADRP CC(C)CN(CC[NH+](C)C)C(=O)N[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000498696861 503241164 /nfs/dbraw/zinc/24/11/64/503241164.db2.gz SRTSMMFWQTVMIH-FPOVZHCZSA-N 2 0 374.573 3.126 20 0 FGADRP CCCC[N@H+](C)CCNC(=O)NCc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000491025590 503262185 /nfs/dbraw/zinc/26/21/85/503262185.db2.gz WEVIOIDAKGNOSA-UHFFFAOYSA-N 2 0 374.573 3.450 20 0 FGADRP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)NCC2([NH+](C)C)CCCCC2)C1 ZINC000502839467 503284722 /nfs/dbraw/zinc/28/47/22/503284722.db2.gz BEDYOGPOXMFIGG-RTBURBONSA-N 2 0 366.594 3.308 20 0 FGADRP Cc1cccc(N2CC[NH+](CCCC[NH2+][C@H](C)[C@H]3CCCOC3)CC2)c1 ZINC000507460295 503302608 /nfs/dbraw/zinc/30/26/08/503302608.db2.gz HVPKLELOOKWTQU-RTWAWAEBSA-N 2 0 359.558 3.302 20 0 FGADRP C[C@@H]([NH2+]CCCOC1CC[NH+](Cc2ccccc2)CC1)[C@H]1CCCOC1 ZINC000507462972 503303200 /nfs/dbraw/zinc/30/32/00/503303200.db2.gz QVUMATYTWDCQBK-CTNGQTDRSA-N 2 0 360.542 3.462 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)N1CC[NH+](C)CC[C@H]1C ZINC000502911206 503305340 /nfs/dbraw/zinc/30/53/40/503305340.db2.gz GCGBXBWOKKGJBP-RTBURBONSA-N 2 0 372.557 3.297 20 0 FGADRP CC[NH+](CC)CC1CCN(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000515291605 503308240 /nfs/dbraw/zinc/30/82/40/503308240.db2.gz BTSRQJDUZHOBOD-NRFANRHFSA-N 2 0 372.557 3.024 20 0 FGADRP CC[C@H]1CCC[N@H+](CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)C1 ZINC000499015227 503315284 /nfs/dbraw/zinc/31/52/84/503315284.db2.gz GAZMKKCQIHDLAV-KRWDZBQOSA-N 2 0 361.555 3.296 20 0 FGADRP CCC[NH+]1CCN(c2ccccc2C[NH+]2CCC(CC[NH+](C)C)CC2)CC1 ZINC000511521844 503336404 /nfs/dbraw/zinc/33/64/04/503336404.db2.gz KBYNBNHUWBBARU-UHFFFAOYSA-N 3 0 372.601 3.382 20 0 FGADRP CC[NH+]1CCN(Cc2ccc(NC(=O)[C@@H](C)[N@H+]3[C@H](C)CC[C@@H]3C)cc2)CC1 ZINC000507958113 503404245 /nfs/dbraw/zinc/40/42/45/503404245.db2.gz VCSUZIXYEAGLMG-CEXWTWQISA-N 2 0 372.557 3.024 20 0 FGADRP CCC[C@@H]([NH2+]C(C)C)C(=O)Nc1cccc(N2CC[NH+](C(C)C)CC2)c1 ZINC000503630452 503448735 /nfs/dbraw/zinc/44/87/35/503448735.db2.gz DYGMRYVLMUFHHL-HXUWFJFHSA-N 2 0 360.546 3.322 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1ccc(OC(F)F)c(F)c1 ZINC000516215045 503472546 /nfs/dbraw/zinc/47/25/46/503472546.db2.gz CNAKDDIDJWPGRI-MRXNPFEDSA-N 2 0 373.463 3.275 20 0 FGADRP C[NH+](C)[C@H](CNC(=O)C[N@@H+](C)Cc1cccc2[nH]ccc21)c1ccccc1 ZINC000494087765 503486130 /nfs/dbraw/zinc/48/61/30/503486130.db2.gz HSRNCEKLIHVQDF-OAQYLSRUSA-N 2 0 364.493 3.019 20 0 FGADRP Fc1ccc(C[NH2+][C@@H]2CCO[C@@H]2C2CC2)cc1C[NH2+][C@@H]1CCO[C@H]1C1CC1 ZINC000582706961 506376787 /nfs/dbraw/zinc/37/67/87/506376787.db2.gz VZPVGYVWHPUGQG-YSFYHYPLSA-N 2 0 374.500 3.140 20 0 FGADRP C[C@@H]([NH3+])[C@@H](C)C(=O)N1CCC([N@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000516568766 503538831 /nfs/dbraw/zinc/53/88/31/503538831.db2.gz XXFCVEYFJGIFQR-ZIAGYGMSSA-N 2 0 371.447 3.112 20 0 FGADRP O=C(NCCN1CCc2c(Cl)cccc2C1)Nc1ccc2c(c1)C[NH2+]C2 ZINC000516633314 503555402 /nfs/dbraw/zinc/55/54/02/503555402.db2.gz RXWMFVDTZFBQEG-UHFFFAOYSA-N 2 0 370.884 3.123 20 0 FGADRP CC(C)[N@@H+](C)CC1CCN(C(=O)N[C@H](C)C[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000516683459 503568070 /nfs/dbraw/zinc/56/80/70/503568070.db2.gz JHDCUKZYSAIJLO-GUDVDZBRSA-N 2 0 366.594 3.115 20 0 FGADRP CCC[NH+]1CCC(CNC(=O)C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000500239680 503586251 /nfs/dbraw/zinc/58/62/51/503586251.db2.gz UBDCCVZVDYZUPK-UHFFFAOYSA-N 2 0 357.542 3.137 20 0 FGADRP CC(C)(C)Oc1cccc(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)n1 ZINC000508880003 503587055 /nfs/dbraw/zinc/58/70/55/503587055.db2.gz SWNCWCYMYXUGRM-UHFFFAOYSA-N 2 0 361.530 3.336 20 0 FGADRP Cc1ccccc1[C@H]([C@H](C)NC(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1)[NH+](C)C ZINC000508895914 503592372 /nfs/dbraw/zinc/59/23/72/503592372.db2.gz MAZKXRWLLDXFJE-LXZJYRNTSA-N 2 0 360.546 3.110 20 0 FGADRP Cc1ccccc1[C@H]([C@@H](C)NC(=O)N1CCC([NH2+]C(C)C)CC1)[NH+](C)C ZINC000508899263 503594081 /nfs/dbraw/zinc/59/40/81/503594081.db2.gz TZROFRJODQVEQH-XLIONFOSSA-N 2 0 360.546 3.158 20 0 FGADRP CC[NH+](CC)CC1CCN(C(=O)N[C@@H](C)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000508902044 503595330 /nfs/dbraw/zinc/59/53/30/503595330.db2.gz VVDPNLOJESPJFO-GHTZIAJQSA-N 2 0 374.573 3.441 20 0 FGADRP c1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH2+]CCNc4ccccn4)[C@@H]3C2)cc1 ZINC000512627105 503598357 /nfs/dbraw/zinc/59/83/57/503598357.db2.gz ZYZGYGBMCSTVBA-PWRODBHTSA-N 2 0 350.510 3.384 20 0 FGADRP COc1ccc(C[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)cn1 ZINC000512646815 503602143 /nfs/dbraw/zinc/60/21/43/503602143.db2.gz DIYVRGYLVQLGEB-NJDAHSKKSA-N 2 0 351.494 3.481 20 0 FGADRP Cn1nccc1[C@H]1[C@H](C[N@H+](C)Cc2nc3ccc(F)cc3o2)CCCN1C ZINC000500408248 503616459 /nfs/dbraw/zinc/61/64/59/503616459.db2.gz WLQLYDGTRLLLDL-VBKZILBWSA-N 2 0 371.460 3.215 20 0 FGADRP Cc1c[nH+]ccc1N1CCC(C(=O)NC[C@H]2CC[N@@H+]2C2CCCCC2)CC1 ZINC000529721967 503681266 /nfs/dbraw/zinc/68/12/66/503681266.db2.gz FKXWEKPGAHZYMI-HXUWFJFHSA-N 2 0 370.541 3.130 20 0 FGADRP CC[NH+]1CCN(c2ccc(C[NH2+]Cc3ccc(C(F)F)cc3)cn2)CC1 ZINC000527223591 503726441 /nfs/dbraw/zinc/72/64/41/503726441.db2.gz MXJIEBNKAMZTJE-UHFFFAOYSA-N 2 0 360.452 3.451 20 0 FGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]C2CCC(c3nc(C)no3)CC2)[C@@H](C)C1 ZINC000536845918 503738160 /nfs/dbraw/zinc/73/81/60/503738160.db2.gz NGVFMQGZKOSZFR-GWFLUQINSA-N 2 0 364.534 3.131 20 0 FGADRP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)NCCC[NH+](C)C1CCCCC1 ZINC000517411254 503739350 /nfs/dbraw/zinc/73/93/50/503739350.db2.gz YKKCVFOBPNJZPG-HDICACEKSA-N 2 0 352.567 3.203 20 0 FGADRP Cc1ccncc1[C@@H](C)[NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000536858105 503742252 /nfs/dbraw/zinc/74/22/52/503742252.db2.gz LYVBGBFGQWZDLD-GOSISDBHSA-N 2 0 366.509 3.066 20 0 FGADRP C[C@@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)c1cc2c(s1)CCC2 ZINC000536861670 503743662 /nfs/dbraw/zinc/74/36/62/503743662.db2.gz FMHGKRLYNUKRAW-OAHLLOKOSA-N 2 0 371.550 3.379 20 0 FGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H](c2ccc(F)cc2)c2ccccn2)CC1 ZINC000543405523 503757950 /nfs/dbraw/zinc/75/79/50/503757950.db2.gz ZBRGZYOBRFWBDU-XMSQKQJNSA-N 2 0 370.516 3.173 20 0 FGADRP CCC(C)(C)[NH2+][C@H](C)C(=O)NC[C@H](c1ccccc1OC)[NH+]1CCCC1 ZINC000543417291 503761968 /nfs/dbraw/zinc/76/19/68/503761968.db2.gz RKLPAZRHJNGERY-SJLPKXTDSA-N 2 0 361.530 3.115 20 0 FGADRP CCn1ccnc1C[NH2+]CCc1ccc(OCC[NH+]2C[C@@H](C)[C@H](C)C2)cc1 ZINC000537021666 503779742 /nfs/dbraw/zinc/77/97/42/503779742.db2.gz HOVFPWGFHNBTMB-RTBURBONSA-N 2 0 370.541 3.202 20 0 FGADRP Cc1ccc([C@@H](CNC(=O)NCC[N@H+]2CC=C(C)CC2)[NH+]2CCCC2)cc1 ZINC000546566095 503790803 /nfs/dbraw/zinc/79/08/03/503790803.db2.gz JXIUJSMGACBKAE-OAQYLSRUSA-N 2 0 370.541 3.083 20 0 FGADRP CC[NH+]1CCC(Nc2cccc(NC(=O)CC[NH+]3CCCCC3)c2)CC1 ZINC000546604206 503804501 /nfs/dbraw/zinc/80/45/01/503804501.db2.gz IKMFPTCWOUVZCU-UHFFFAOYSA-N 2 0 358.530 3.397 20 0 FGADRP CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(N3CC[NH+](CC)CC3)nc2)C12CCCC2 ZINC000540596112 503827947 /nfs/dbraw/zinc/82/79/47/503827947.db2.gz KRGYGIQSWNMSQR-VQTJNVASSA-N 2 0 372.557 3.051 20 0 FGADRP C[NH+](C)CCNC(=O)c1ccc(C[NH2+]C/C=C\c2ccc(F)cc2F)cc1 ZINC000543633565 503835413 /nfs/dbraw/zinc/83/54/13/503835413.db2.gz NTRORBVPDPIVGT-ARJAWSKDSA-N 2 0 373.447 3.059 20 0 FGADRP CC(C)[C@@H]1C[C@@H]([NH2+]CCCC[NH+]2CCN(Cc3ccccc3)CC2)CCO1 ZINC000540707152 503863055 /nfs/dbraw/zinc/86/30/55/503863055.db2.gz PZUARTGCGUFUCL-GOTSBHOMSA-N 2 0 373.585 3.378 20 0 FGADRP CC(C)C[C@H]([NH2+][C@H](C)c1ccccc1C(F)(F)F)C(=O)NCC[NH+](C)C ZINC000540747123 503877047 /nfs/dbraw/zinc/87/70/47/503877047.db2.gz FJLDWSSVBHWQOV-PBHICJAKSA-N 2 0 373.463 3.449 20 0 FGADRP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2CCCOc1ccc(Cl)cc1 ZINC000533539584 503882300 /nfs/dbraw/zinc/88/23/00/503882300.db2.gz INLQUBAOVUUBLJ-NEWSRXKRSA-N 2 0 352.906 3.292 20 0 FGADRP CC(C)[C@@H]([NH2+]CCCC[NH+]1CCN(CCO)CC1)c1cc2ccccc2o1 ZINC000537346195 503884695 /nfs/dbraw/zinc/88/46/95/503884695.db2.gz YHHPPXVRIZGTPW-JOCHJYFZSA-N 2 0 373.541 3.110 20 0 FGADRP CCCn1c(C[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)nc2ccccc21 ZINC000530248875 503893840 /nfs/dbraw/zinc/89/38/40/503893840.db2.gz RNPNIOKPOSFDFY-GOSISDBHSA-N 2 0 356.514 3.037 20 0 FGADRP C[N@H+](Cc1ccccc1)CC(C)(C)NC(=O)N[C@@H]1CC[NH+](C2CCCC2)C1 ZINC000533622304 503903926 /nfs/dbraw/zinc/90/39/26/503903926.db2.gz KLBYNOXWNVPICW-LJQANCHMSA-N 2 0 372.557 3.213 20 0 FGADRP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000518083359 503904724 /nfs/dbraw/zinc/90/47/24/503904724.db2.gz ZDTZIYKRUCUKDE-KDURUIRLSA-N 2 0 372.557 3.345 20 0 FGADRP CC(C)[NH+]1CCC(NC(=O)[C@H]2CCCN2Cc2ccc(Cl)cc2)CC1 ZINC000527711774 503907589 /nfs/dbraw/zinc/90/75/89/503907589.db2.gz OHHDYRZMKOJWRO-LJQANCHMSA-N 2 0 363.933 3.293 20 0 FGADRP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)[C@]12CCCO2 ZINC000546870283 503909516 /nfs/dbraw/zinc/90/95/16/503909516.db2.gz FGYGTLRJLRUQMZ-FHJOOOADSA-N 2 0 370.537 3.213 20 0 FGADRP C[N@@H+]1CC[C@H](CNC(=O)C2(C[NH3+])CCCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000518167934 503919243 /nfs/dbraw/zinc/91/92/43/503919243.db2.gz RIFWSSNVPVVFJH-PBHICJAKSA-N 2 0 367.896 3.107 20 0 FGADRP CC(C)[N@@H+](C)C[C@H](C)NC(=O)NC[C@@H]1CCC[NH+](C)[C@H]1c1cccs1 ZINC000518271002 503940981 /nfs/dbraw/zinc/94/09/81/503940981.db2.gz ZCQPLXDXDVAXFE-XYJFISCASA-N 2 0 366.575 3.159 20 0 FGADRP COc1cc(C)nc(C[NH+]2CCC(CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c1 ZINC000533835962 503965364 /nfs/dbraw/zinc/96/53/64/503965364.db2.gz YGXRUWOVYSRGMT-HDICACEKSA-N 2 0 361.530 3.110 20 0 FGADRP CC(C)[C@H](C[NH2+][C@@H](C)c1cc(-c2ccccc2)n(C)n1)N1CC[NH+](C)CC1 ZINC000527854135 503974148 /nfs/dbraw/zinc/97/41/48/503974148.db2.gz WUPXWWIPMBVOAW-AVRDEDQJSA-N 2 0 369.557 3.010 20 0 FGADRP C[C@@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)c1cc(-c2ccccc2)n(C)n1 ZINC000527858321 503974668 /nfs/dbraw/zinc/97/46/68/503974668.db2.gz KBNNVRNUKKNWET-GOSISDBHSA-N 2 0 369.557 3.011 20 0 FGADRP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)NC[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000518402560 503975289 /nfs/dbraw/zinc/97/52/89/503975289.db2.gz HDXUKTPASHZSQY-QWFCFKBJSA-N 2 0 374.573 3.345 20 0 FGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@H](C)c2cc(-c3ccccc3)n(C)n2)CC1 ZINC000527859332 503976262 /nfs/dbraw/zinc/97/62/62/503976262.db2.gz PUSPEZKSDYUBBA-RBUKOAKNSA-N 2 0 369.557 3.011 20 0 FGADRP C[C@@H](NCCC[N@@H+]1CCCO[C@@H](C)C1)c1cc(-c2ccccc2)n(C)n1 ZINC000527892833 503987075 /nfs/dbraw/zinc/98/70/75/503987075.db2.gz BJFGOXRAEJBNMR-ZWKOTPCHSA-N 2 0 356.514 3.239 20 0 FGADRP C[C@@H]([NH2+]C[C@H](n1cccn1)C(F)(F)F)c1ccc(OCC[NH+](C)C)cc1 ZINC000527939670 504008102 /nfs/dbraw/zinc/00/81/02/504008102.db2.gz PWTAISWGAWISON-PBHICJAKSA-N 2 0 370.419 3.278 20 0 FGADRP COc1ccc(CC[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cn1 ZINC000527991862 504029443 /nfs/dbraw/zinc/02/94/43/504029443.db2.gz XAMBUWSQAIHMBW-WKCHPHFGSA-N 2 0 351.494 3.418 20 0 FGADRP COc1cccc([C@@H](CNC(=O)c2ccc([C@@H](C)[NH3+])cc2)[NH+]2CCCC2)c1 ZINC000518763229 504056659 /nfs/dbraw/zinc/05/66/59/504056659.db2.gz WZTTZKFTZAIKKU-IIBYNOLFSA-N 2 0 367.493 3.282 20 0 FGADRP CC(C)[N@@H+]1CC[C@@H](CNC(=O)N2CC[C@@H](C)[NH+](Cc3ccccc3)CC2)C1 ZINC000530769841 504082461 /nfs/dbraw/zinc/08/24/61/504082461.db2.gz WGGWNXCFNZNIAT-CTNGQTDRSA-N 2 0 372.557 3.023 20 0 FGADRP CC[C@@H](C(=O)NC[C@@H](C(C)C)[N@@H+]1CCc2ccccc2C1)[NH+](CC)CC ZINC000530812504 504094460 /nfs/dbraw/zinc/09/44/60/504094460.db2.gz RXBWATHCTLJQKZ-SFTDATJTSA-N 2 0 359.558 3.306 20 0 FGADRP C[C@H](CCN1C(=O)c2ccccc2C1=O)[NH2+]CCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000547421166 504098425 /nfs/dbraw/zinc/09/84/25/504098425.db2.gz XWFXWINOUKONOM-KZNAEPCWSA-N 2 0 371.525 3.019 20 0 FGADRP OC[C@H]1CCC[N@@H+]1CCCC[NH2+][C@@H](c1ccc(F)cc1)c1ccccn1 ZINC000544355481 504101435 /nfs/dbraw/zinc/10/14/35/504101435.db2.gz RYLLTNQPUPRKLI-CTNGQTDRSA-N 2 0 357.473 3.137 20 0 FGADRP C[C@H]1CCCC[N@@H+]1CCNC(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000530840628 504103364 /nfs/dbraw/zinc/10/33/64/504103364.db2.gz BHUCVKBVCFMMSE-MAUKXSAKSA-N 2 0 366.937 3.116 20 0 FGADRP C[C@@H](CCNC(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1)[NH+]1CCCCC1 ZINC000541448708 504133478 /nfs/dbraw/zinc/13/34/78/504133478.db2.gz UBRMSOJYSPUZME-FPOVZHCZSA-N 2 0 372.557 3.387 20 0 FGADRP Cc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000538128437 504139187 /nfs/dbraw/zinc/13/91/87/504139187.db2.gz OWJZRVKTTZZPCS-IPJJNNNSSA-N 2 0 365.521 3.425 20 0 FGADRP CC(C)[C@H](CNC(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1)[NH+]1CCCC1 ZINC000519178079 504159461 /nfs/dbraw/zinc/15/94/61/504159461.db2.gz ZBJPBWGIZONVOO-SFTDATJTSA-N 2 0 372.557 3.071 20 0 FGADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2cn(C)nc2C2CCCCC2)C1 ZINC000541536229 504168604 /nfs/dbraw/zinc/16/86/04/504168604.db2.gz GPYWBYKZWWXPTC-FQEVSTJZSA-N 2 0 362.562 3.401 20 0 FGADRP CO[C@@H]1CC[N@H+](Cc2cncc(C[NH+]3CC[C@H](OC)C[C@@H]3C)c2)[C@@H](C)C1 ZINC000519311730 504188921 /nfs/dbraw/zinc/18/89/21/504188921.db2.gz NQNJYZFSBGGCQI-IDPBPBMLSA-N 2 0 361.530 3.080 20 0 FGADRP CCO[C@H]1C[C@@H]([NH2+]Cc2ccc(CN3CC[NH+](C)CC3)cc2)C12CCCC2 ZINC000538398024 504233673 /nfs/dbraw/zinc/23/36/73/504233673.db2.gz AVKMSFGGGZWCPQ-YADHBBJMSA-N 2 0 371.569 3.261 20 0 FGADRP C[C@@H]1C[N@@H+](CCCC[NH2+][C@H](c2ccccc2)c2cncnc2)C[C@H](C)O1 ZINC000541744141 504240632 /nfs/dbraw/zinc/24/06/32/504240632.db2.gz XFWLPCUSGNJDOG-LVCYWYKZSA-N 2 0 354.498 3.045 20 0 FGADRP CC(C)[N@@H+]1CCCN(C(=O)NC[C@@H](c2ccc(Cl)cc2)[NH+](C)C)CC1 ZINC000531318067 504264378 /nfs/dbraw/zinc/26/43/78/504264378.db2.gz GFYFNAOWDHBHLR-SFHVURJKSA-N 2 0 366.937 3.068 20 0 FGADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC[C@@H](CC(=O)NCc2ccc(F)cc2)C1 ZINC000519600738 504269531 /nfs/dbraw/zinc/26/95/31/504269531.db2.gz PPFMTCCLKOTYNL-ICSRJNTNSA-N 2 0 361.505 3.028 20 0 FGADRP Cc1cc(C[NH+]2CCC(OCC[NH+](C)C)CC2)c(OC(F)F)cc1C ZINC000538732744 504349638 /nfs/dbraw/zinc/34/96/38/504349638.db2.gz OOSUNMVUICCZKS-UHFFFAOYSA-N 2 0 356.457 3.447 20 0 FGADRP C[NH+]1CCC([C@H]2CCN(C(=O)[C@H]3CCCC[N@@H+]3Cc3ccccc3)C2)CC1 ZINC000535146422 504355224 /nfs/dbraw/zinc/35/52/24/504355224.db2.gz DFHJIVMKFZLRIA-FCHUYYIVSA-N 2 0 369.553 3.231 20 0 FGADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2c[nH]nc2-c2ccc(F)cc2)C1 ZINC000538751897 504358724 /nfs/dbraw/zinc/35/87/24/504358724.db2.gz VMMMTSXERIOUAI-IBGZPJMESA-N 2 0 360.477 3.149 20 0 FGADRP CC[NH+](CC)CCOC1CC[NH+](Cc2cnc(-c3ccccc3)[nH]2)CC1 ZINC000538763093 504362271 /nfs/dbraw/zinc/36/22/71/504362271.db2.gz FRPZYQUNZZLKAO-UHFFFAOYSA-N 2 0 356.514 3.400 20 0 FGADRP CCOC(=O)COc1ccc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000538799705 504375954 /nfs/dbraw/zinc/37/59/54/504375954.db2.gz SGLWFMDNCQAKDE-GHTZIAJQSA-N 2 0 372.509 3.077 20 0 FGADRP C[C@H](Cc1ccsc1)[NH+]1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000542158661 504385864 /nfs/dbraw/zinc/38/58/64/504385864.db2.gz KCWPJBOFJYXZTL-LJQANCHMSA-N 2 0 357.567 3.429 20 0 FGADRP CC(C)O[C@@H]1C[C@@H]([NH2+][C@H](CN2CC[NH+](C)CC2)c2ccccc2)C1(C)C ZINC000545201114 504393538 /nfs/dbraw/zinc/39/35/38/504393538.db2.gz MYUHVDDPSFFSFW-NJDAHSKKSA-N 2 0 359.558 3.157 20 0 FGADRP C[NH+]1CCN(c2ncccc2C[NH2+][C@@H]2CCc3c2cccc3Cl)CC1 ZINC000531697384 504396291 /nfs/dbraw/zinc/39/62/91/504396291.db2.gz YGRXLULEBZPVES-LJQANCHMSA-N 2 0 356.901 3.264 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)NC[C@H](C)C[NH+]1CCCCC1)c1ccco1 ZINC000520067715 504407007 /nfs/dbraw/zinc/40/70/07/504407007.db2.gz CZUCFFUWJUHLEE-ROUUACIJSA-N 2 0 364.534 3.084 20 0 FGADRP CC[N@H+](C)Cc1cccc(CNC(=O)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)c1 ZINC000520280399 504453096 /nfs/dbraw/zinc/45/30/96/504453096.db2.gz GKGGTYOFNLJFJW-RTBURBONSA-N 2 0 374.573 3.306 20 0 FGADRP COCCOc1ccc(C[NH2+][C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000548483921 504462396 /nfs/dbraw/zinc/46/23/96/504462396.db2.gz BAKZPPIXDRRGOB-WIYYLYMNSA-N 2 0 369.509 3.107 20 0 FGADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]C[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000539093307 504470430 /nfs/dbraw/zinc/47/04/30/504470430.db2.gz KXMCIIIYUGQGBZ-IIDMSEBBSA-N 2 0 366.347 3.205 20 0 FGADRP CC(C)[N@@H+]1CC[C@@H](CNC(=O)[C@H](C)[NH+]2CCC(Cc3ccccc3)CC2)C1 ZINC000520339358 504470879 /nfs/dbraw/zinc/47/08/79/504470879.db2.gz QSUNDWAWWBQFAE-UGKGYDQZSA-N 2 0 371.569 3.176 20 0 FGADRP C[NH+](C)CCCOc1cnccc1C[NH2+]C1CCC2(CCOCC2)CC1 ZINC000520453479 504503450 /nfs/dbraw/zinc/50/34/50/504503450.db2.gz AEMDJVXPRJKEJU-UHFFFAOYSA-N 2 0 361.530 3.241 20 0 FGADRP CC[NH+]1CCN(CCCC[NH2+][C@@H](c2ccc(F)cc2)c2ccccn2)CC1 ZINC000542476914 504505128 /nfs/dbraw/zinc/50/51/28/504505128.db2.gz HJZFWHDJDNXBBD-QFIPXVFZSA-N 2 0 370.516 3.317 20 0 FGADRP CC[NH+]1CCC([NH2+]CCc2ccc(OCC[NH+]3C[C@@H](C)[C@H](C)C3)cc2)CC1 ZINC000539294400 504521939 /nfs/dbraw/zinc/52/19/39/504521939.db2.gz CYVCTJWLJVSNHJ-WOJBJXKFSA-N 3 0 373.585 3.270 20 0 FGADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)N[C@H]2CC[NH+]([C@@H](C)c3ccccc3)C2)C1 ZINC000520578420 504533638 /nfs/dbraw/zinc/53/36/38/504533638.db2.gz KJLVJHUWOGXTMC-ZVDOUQERSA-N 2 0 372.557 3.242 20 0 FGADRP CC[N@H+](CCNC(=O)N1CC[NH+](Cc2ccccc2)C(C)(C)C1)C(C)C ZINC000520621517 504542497 /nfs/dbraw/zinc/54/24/97/504542497.db2.gz JSWYTKZWGRVBTD-UHFFFAOYSA-N 2 0 360.546 3.023 20 0 FGADRP C[N@H+](CCN[C@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21)C1CCCC1 ZINC000539395112 504555466 /nfs/dbraw/zinc/55/54/66/504555466.db2.gz GJWFFCFIKKTIBO-FQEVSTJZSA-N 2 0 357.542 3.439 20 0 FGADRP O=C(N[C@@H]1CC[NH+](C2CCCC2)C1)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000520734731 504568733 /nfs/dbraw/zinc/56/87/33/504568733.db2.gz PXMQQBIUVIKRMV-AZUAARDMSA-N 2 0 373.516 3.171 20 0 FGADRP CCCC[N@H+](C)CC1CC[NH+]([C@@H](C)C(=O)N2C[C@H](C)C[C@H](C)C2)CC1 ZINC000520794948 504584516 /nfs/dbraw/zinc/58/45/16/504584516.db2.gz MGRWWJARXIMDHM-OTWHNJEPSA-N 2 0 351.579 3.323 20 0 FGADRP CC(C)C[C@@H](CNC(=O)NCC1=CC[N@H+](C)CC1)[NH2+][C@@H](C)c1ccccc1 ZINC000539485314 504585285 /nfs/dbraw/zinc/58/52/85/504585285.db2.gz FRZFGUREXTYFOL-RXVVDRJESA-N 2 0 372.557 3.313 20 0 FGADRP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H]3C[C@H](OCC(C)C)C3(C)C)cn2)CC1 ZINC000539498956 504591463 /nfs/dbraw/zinc/59/14/63/504591463.db2.gz YOFBTZFYTNFJJO-UXHICEINSA-N 2 0 374.573 3.153 20 0 FGADRP Cc1cc(C[NH2+]CC2(O)CC[NH+](C(C)C)CC2)c(OC(F)F)cc1C ZINC000539514816 504595536 /nfs/dbraw/zinc/59/55/36/504595536.db2.gz GMYZRTLBDXDAFX-UHFFFAOYSA-N 2 0 356.457 3.230 20 0 FGADRP C[C@H](NC(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000542758359 504598014 /nfs/dbraw/zinc/59/80/14/504598014.db2.gz ARLUIDINUROGPE-JENIJYKNSA-N 2 0 364.578 3.011 20 0 FGADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)N(CC[NH+](C)C)Cc1ccco1 ZINC000532292012 504600565 /nfs/dbraw/zinc/60/05/65/504600565.db2.gz ORZJGUABAMSZJN-GOSISDBHSA-N 2 0 364.534 3.007 20 0 FGADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)NC[C@H]1CCC[NH+](C(C)C)C1 ZINC000520908843 504608158 /nfs/dbraw/zinc/60/81/58/504608158.db2.gz FAXNRZKVBRBGTH-RTBURBONSA-N 2 0 352.567 3.061 20 0 FGADRP CC(C)[NH+](CCNC(=O)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1)C(C)C ZINC000520954531 504615400 /nfs/dbraw/zinc/61/54/00/504615400.db2.gz LNKBZNYBQWEHDG-LJQANCHMSA-N 2 0 363.521 3.273 20 0 FGADRP CC(C)C[C@H]([NH2+][C@@H]1CCSc2c(F)cccc21)C(=O)NCC[NH+](C)C ZINC000539648701 504639442 /nfs/dbraw/zinc/63/94/42/504639442.db2.gz YBYGWSSGZBRGCE-SJORKVTESA-N 2 0 367.534 3.045 20 0 FGADRP C[NH+]1CCN(C[C@H]([NH2+]C2C3CC4CC(C3)CC2C4)c2ccccc2)CC1 ZINC000532497780 504671572 /nfs/dbraw/zinc/67/15/72/504671572.db2.gz OSBKCPIBOKFRRD-YRRRNSQDSA-N 2 0 353.554 3.389 20 0 FGADRP CN(CC[N@H+](C)CCn1ccc2cc(Cl)ccc21)C1CC[NH+](C)CC1 ZINC000521260339 504695677 /nfs/dbraw/zinc/69/56/77/504695677.db2.gz CBTYMDMZOMUCFO-UHFFFAOYSA-N 2 0 362.949 3.253 20 0 FGADRP C[NH+](C)CCOC1CC[NH+](Cc2c[nH]nc2-c2ccc(Cl)cc2)CC1 ZINC000539832225 504709058 /nfs/dbraw/zinc/70/90/58/504709058.db2.gz LOYYKOMVEAQTSZ-UHFFFAOYSA-N 2 0 362.905 3.273 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cccc(-c2ccoc2)c1 ZINC000536361083 504709535 /nfs/dbraw/zinc/70/95/35/504709535.db2.gz NTCNTIPBEGQTSK-NRFANRHFSA-N 2 0 369.509 3.435 20 0 FGADRP O=C(NCCC[NH+]1CCCC1)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000532660890 504728963 /nfs/dbraw/zinc/72/89/63/504728963.db2.gz BXLQBNMYMCPPHO-UHFFFAOYSA-N 2 0 374.529 3.159 20 0 FGADRP Cc1ccccc1C[NH+]1CCN(c2ccccc2OCC[NH+](C)C)CC1 ZINC000532733069 504748071 /nfs/dbraw/zinc/74/80/71/504748071.db2.gz ATGOAZMXYQIVTF-UHFFFAOYSA-N 2 0 353.510 3.258 20 0 FGADRP C[C@H]1CN(c2ccccc2C[NH2+]C[C@@H]2CCN2C2CCCCC2)CCO1 ZINC000529643167 504751222 /nfs/dbraw/zinc/75/12/22/504751222.db2.gz VRYZAJPNFMOYPG-RXVVDRJESA-N 2 0 357.542 3.408 20 0 FGADRP Cc1ccc(OC[C@H](O)C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)cc1 ZINC000532778760 504756879 /nfs/dbraw/zinc/75/68/79/504756879.db2.gz GLLXCBDMVVGNOB-OAQYLSRUSA-N 2 0 360.542 3.323 20 0 FGADRP COc1cc(Br)c(CN[C@H]2CC[N@H+](C)[C@H](C)C2)c(OC)c1 ZINC000532866484 504769297 /nfs/dbraw/zinc/76/92/97/504769297.db2.gz SUAQBLJWCRKSAK-NEPJUHHUSA-N 2 0 357.292 3.039 20 0 FGADRP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)CCOC[C@H]3CCCO3)C2)s1 ZINC000565051666 504782252 /nfs/dbraw/zinc/78/22/52/504782252.db2.gz OSEDYOYAGNYOHV-QZTJIDSGSA-N 2 0 352.544 3.006 20 0 FGADRP C[NH+]1CCC2(CC1)C[C@@H]([NH2+]Cc1ccccc1CO)c1ccccc1O2 ZINC000559111774 504784592 /nfs/dbraw/zinc/78/45/92/504784592.db2.gz QZPCZOMDIFAHTE-HXUWFJFHSA-N 2 0 352.478 3.257 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)[C@@H]2CCc3cncn3C2)cc1 ZINC000552981214 504797903 /nfs/dbraw/zinc/79/79/03/504797903.db2.gz HCLJUJCXLHBDHW-YLJYHZDGSA-N 2 0 366.509 3.136 20 0 FGADRP CC[NH+](CC)CC1CC[NH+](Cc2c(C)nn(-c3ccccn3)c2C)CC1 ZINC000549403784 504812207 /nfs/dbraw/zinc/81/22/07/504812207.db2.gz SFPBKCHLRLCUCE-UHFFFAOYSA-N 2 0 355.530 3.438 20 0 FGADRP C[C@H]([NH2+]CCc1ccc(OCC[NH+](C)C)cc1)c1cn2ccccc2n1 ZINC000556236243 504825393 /nfs/dbraw/zinc/82/53/93/504825393.db2.gz JROGNDMNVDOXQI-KRWDZBQOSA-N 2 0 352.482 3.168 20 0 FGADRP CC[C@@H]1C[NH+](Cc2cncc(C[N@@H+]3CCCO[C@H](CC)C3)c2)CCCO1 ZINC000556271403 504833287 /nfs/dbraw/zinc/83/32/87/504833287.db2.gz LDMLLTSLBFIHER-NHCUHLMSSA-N 2 0 361.530 3.083 20 0 FGADRP CC(=O)N(c1nc(CNCCc2cn(C)cn2)cs1)c1ccc(F)cc1 ZINC000565246986 504833991 /nfs/dbraw/zinc/83/39/91/504833991.db2.gz QXRFOONUWZVMDO-UHFFFAOYSA-N 2 0 373.457 3.033 20 0 FGADRP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)c1ccc2c[nH+]cn2c1 ZINC000559546415 504884724 /nfs/dbraw/zinc/88/47/24/504884724.db2.gz FYEJHUWLKPWMBE-IAGOWNOFSA-N 2 0 362.477 3.221 20 0 FGADRP CCC[C@H]1CN(C(=O)c2ccc3c[nH+]cn3c2)CC[N@@H+]1Cc1ccccc1 ZINC000559619569 504898163 /nfs/dbraw/zinc/89/81/63/504898163.db2.gz ONOXYUVVCMPWHF-NRFANRHFSA-N 2 0 362.477 3.461 20 0 FGADRP CCC[C@@]1([NH2+]Cc2cncc(C[NH2+][C@]3(CCC)CCOC3)c2)CCOC1 ZINC000562706110 504916313 /nfs/dbraw/zinc/91/63/13/504916313.db2.gz BLIQEFMCPUMVKQ-NHCUHLMSSA-N 2 0 361.530 3.179 20 0 FGADRP C[C@@H]1C[C@@H]1N1C[C@H]([NH2+]C2CCC([N@H+](C)Cc3ccccc3)CC2)CC1=O ZINC000559913386 504949714 /nfs/dbraw/zinc/94/97/14/504949714.db2.gz KIVJKLRCLDYYHT-XWTZVGMHSA-N 2 0 355.526 3.029 20 0 FGADRP Cc1cc(C(C)(C)C)ccc1OC[C@H](O)C[NH2+][C@@H](C)C1=CC[N@H+](C)CC1 ZINC000565654943 504950635 /nfs/dbraw/zinc/95/06/35/504950635.db2.gz ZMPSTXLCMAVCCD-FXAWDEMLSA-N 2 0 360.542 3.272 20 0 FGADRP C[N@@H+]1CC[C@H]([NH2+]C2CCN(Cc3ccc(F)c(F)c3)CC2)[C@H]2CCC[C@@H]21 ZINC000556862783 504998784 /nfs/dbraw/zinc/99/87/84/504998784.db2.gz ALSVUGNJYWYESK-QMMLZNLJSA-N 2 0 363.496 3.392 20 0 FGADRP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)CCO1 ZINC000550262724 505005275 /nfs/dbraw/zinc/00/52/75/505005275.db2.gz PJDAQYZMUNIPAX-NRSPTQNISA-N 2 0 358.526 3.072 20 0 FGADRP C[C@H]([NH2+]Cc1nnc(C2CC[NH2+]CC2)[nH]1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000562981105 505008642 /nfs/dbraw/zinc/00/86/42/505008642.db2.gz XXWRRIWZGAHOPR-WCFLWFBJSA-N 2 0 365.934 3.268 20 0 FGADRP CSc1ccc(OC[C@@H](O)C[NH2+]C2CC[NH+](C(C)(C)C)CC2)cc1 ZINC000562985327 505011328 /nfs/dbraw/zinc/01/13/28/505011328.db2.gz QMYHKNQYZCLYEL-INIZCTEOSA-N 2 0 352.544 3.001 20 0 FGADRP C(CC[NH+]1CCC[C@@H]1[C@@H]1CCCO1)CC[N@@H+]1CCC[C@@H]1[C@H]1CCCO1 ZINC000560184335 505014083 /nfs/dbraw/zinc/01/40/83/505014083.db2.gz QJPIIWNVINYYLH-NCYKPQTJSA-N 2 0 350.547 3.444 20 0 FGADRP CC1(C(=O)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)CC[NH+](Cc2ccccc2)CC1 ZINC000563099966 505048641 /nfs/dbraw/zinc/04/86/41/505048641.db2.gz JGIPIFVLXGGXFN-RTWAWAEBSA-N 2 0 369.553 3.137 20 0 FGADRP CC[NH+](CC)C[C@H]1CCCC[C@@H]1NC(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000557032633 505048805 /nfs/dbraw/zinc/04/88/05/505048805.db2.gz SIBQJRVMJWWKRO-MJGOQNOKSA-N 2 0 358.530 3.354 20 0 FGADRP CC[NH+](CC)CCOc1ccc(NC(=O)c2ccc3c[nH+]cn3c2)cc1 ZINC000550601000 505070833 /nfs/dbraw/zinc/07/08/33/505070833.db2.gz URFXYNHSKHQQCN-UHFFFAOYSA-N 2 0 352.438 3.307 20 0 FGADRP C[NH2+]CCc1ccccc1C(=O)NC[C@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC000563198417 505073040 /nfs/dbraw/zinc/07/30/40/505073040.db2.gz YPOBJNKZRJSZFR-JOCHJYFZSA-N 2 0 365.521 3.324 20 0 FGADRP CC(C)CC[N@@H+]1Cc2cccc(NC(=O)COC3CCC([NH3+])CC3)c2C1 ZINC000563202759 505074839 /nfs/dbraw/zinc/07/48/39/505074839.db2.gz CULCEAVHADCNKK-UHFFFAOYSA-N 2 0 359.514 3.273 20 0 FGADRP C[C@H](CC(=O)Nc1ccccc1CN1C[C@@H](C)O[C@H](C)C1)n1ccnc1 ZINC000563222995 505080292 /nfs/dbraw/zinc/08/02/92/505080292.db2.gz QZUDIZLSPPVYBI-BRWVUGGUSA-N 2 0 356.470 3.082 20 0 FGADRP FC(F)(F)COc1cccc(C[N@@H+]2CCC[C@@H](N3CCOCC3)CC2)c1 ZINC000550664821 505081596 /nfs/dbraw/zinc/08/15/96/505081596.db2.gz YEXSPGOCZOGPSA-QGZVFWFLSA-N 2 0 372.431 3.314 20 0 FGADRP CC[N@H+](CCC1CCN(C(=O)C2CC[NH+](C(C)C)CC2)CC1)CC1CC1 ZINC000557173400 505084989 /nfs/dbraw/zinc/08/49/89/505084989.db2.gz ZJXFRWZWPLZDAX-UHFFFAOYSA-N 2 0 363.590 3.467 20 0 FGADRP CC[N@H+](CCC1CC[NH+]([C@H]2CCCN(C(C)C)C2=O)CC1)CC(C)C ZINC000557319239 505107433 /nfs/dbraw/zinc/10/74/33/505107433.db2.gz YBIRVQAAVZLBKJ-FQEVSTJZSA-N 2 0 351.579 3.466 20 0 FGADRP CC1(C)C[NH2+][C@H]1C1CCN(C(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2)CC1 ZINC000566208359 505111764 /nfs/dbraw/zinc/11/17/64/505111764.db2.gz OPPXTJWFZBFFQT-RTWAWAEBSA-N 2 0 369.553 3.278 20 0 FGADRP C[C@H](CCc1ccc(F)cc1F)[NH2+]CC1CC[NH+](CCN(C)C)CC1 ZINC000560528978 505116583 /nfs/dbraw/zinc/11/65/83/505116583.db2.gz QMMONRLOLQWPAC-MRXNPFEDSA-N 2 0 353.501 3.149 20 0 FGADRP Cc1nn(-c2ccc(Br)cc2)cc1CN1CC[C@H]([NH3+])C[C@@H]1C ZINC000563350819 505117360 /nfs/dbraw/zinc/11/73/60/505117360.db2.gz ROUIMHZNEHTAGT-LRDDRELGSA-N 2 0 363.303 3.255 20 0 FGADRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@H](C)Cn1cc(Br)ccc1=O ZINC000550886153 505119646 /nfs/dbraw/zinc/11/96/46/505119646.db2.gz DJRKYTHXANQSPA-HUUCEWRRSA-N 2 0 372.351 3.099 20 0 FGADRP C[C@H]1C[N@H+](CCOc2ccc(CC[NH2+]C3CCC(O)CC3)cc2)C[C@H]1C ZINC000560543847 505120625 /nfs/dbraw/zinc/12/06/25/505120625.db2.gz CVBHLRDLSWBIEU-FWGXRIOKSA-N 2 0 360.542 3.089 20 0 FGADRP C[N@@H+]1CC[C@H]([NH2+]CCCc2nc(-c3ccc(F)cc3)no2)[C@H]2CCC[C@@H]21 ZINC000560548168 505122824 /nfs/dbraw/zinc/12/28/24/505122824.db2.gz AIJFTHNHXIANSX-SQNIBIBYSA-N 2 0 358.461 3.271 20 0 FGADRP C[C@H]1C[C@H](NC(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)CC[NH2+]1 ZINC000563561026 505176371 /nfs/dbraw/zinc/17/63/71/505176371.db2.gz JTJKRIUTKCOELX-FXAWDEMLSA-N 2 0 358.530 3.002 20 0 FGADRP CCOc1cccc(C[NH2+]Cc2ccc(OC3CC[NH+](C)CC3)cc2)n1 ZINC000551232770 505182765 /nfs/dbraw/zinc/18/27/65/505182765.db2.gz AEVSLOLLMFGNRA-UHFFFAOYSA-N 2 0 355.482 3.243 20 0 FGADRP C[C@H](NC(=O)NCC1([NH+](C)C)CCCCC1)[C@@H](c1ccccc1)[NH+](C)C ZINC000554478586 505182791 /nfs/dbraw/zinc/18/27/91/505182791.db2.gz MGLKVFJSRQZGTA-HKUYNNGSSA-N 2 0 360.546 3.242 20 0 FGADRP O[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH+]1CCCC[N@H+]1CCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000563680622 505209132 /nfs/dbraw/zinc/20/91/32/505209132.db2.gz AQIJVTXSSOIFHL-YGBDOONVSA-N 2 0 364.574 3.017 20 0 FGADRP C[C@@H](NC(=O)N1CCC[N@@H+](C(C)(C)C)CC1)[C@@H](c1ccccc1)[NH+](C)C ZINC000554609466 505221140 /nfs/dbraw/zinc/22/11/40/505221140.db2.gz AAWHRYUEAHFLNT-MJGOQNOKSA-N 2 0 360.546 3.194 20 0 FGADRP C[C@@H]1C[N@@H+](CCC2CC[NH+](Cc3cnc(C(C)(C)C)nc3)CC2)C[C@H](C)O1 ZINC000551552382 505251141 /nfs/dbraw/zinc/25/11/41/505251141.db2.gz MXYTUUGRPVEWKO-HDICACEKSA-N 2 0 374.573 3.485 20 0 FGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H]2CCCc3c4ccccc4[nH]c32)CC1 ZINC000554735200 505252471 /nfs/dbraw/zinc/25/24/71/505252471.db2.gz QFLHKLQSWQQQLG-DYESRHJHSA-N 2 0 354.542 3.409 20 0 FGADRP O=C(NCc1cccc(C[NH+]2CCCCCC2)c1)N1CC[NH+]2CCC1CC2 ZINC000551566131 505256225 /nfs/dbraw/zinc/25/62/25/505256225.db2.gz PADOKQSNQTZCLJ-UHFFFAOYSA-N 2 0 370.541 3.052 20 0 FGADRP C[NH+]1CCC2(CCCN2C(=O)N[C@@H](C[NH3+])c2ccc3ccccc3c2)CC1 ZINC000561212313 505282790 /nfs/dbraw/zinc/28/27/90/505282790.db2.gz XAXUXNXOQRWICA-FQEVSTJZSA-N 2 0 366.509 3.109 20 0 FGADRP CC1(C)C[NH2+][C@H]1C1CCN(C(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000566855173 505292009 /nfs/dbraw/zinc/29/20/09/505292009.db2.gz VKPRDYRVYLMEMI-RTWAWAEBSA-N 2 0 369.553 3.135 20 0 FGADRP COCCOc1ccc([C@@H](C)[NH2+]CC2(SC)CC[NH+](C)CC2)cc1 ZINC000564008639 505301923 /nfs/dbraw/zinc/30/19/23/505301923.db2.gz MQRCMFHHQNLLOE-MRXNPFEDSA-N 2 0 352.544 3.190 20 0 FGADRP COc1ccc([C@@H](NCC2([NH3+])C3CC4CC(C3)CC2C4)[C@H]2CCC[NH2+]2)cc1 ZINC000566909090 505308237 /nfs/dbraw/zinc/30/82/37/505308237.db2.gz RCIXOVMOFVVYPX-USZZWKNDSA-N 2 0 369.553 3.232 20 0 FGADRP Cc1cc2ncn(C[C@H](O)C[NH2+][C@H]3c4ccccc4O[C@@H]3C)c2cc1C ZINC000564203655 505351838 /nfs/dbraw/zinc/35/18/38/505351838.db2.gz SPHJGYQLHCBZLD-WHSLLNHNSA-N 2 0 351.450 3.126 20 0 FGADRP OCC[N@@H+]1CCCN(c2ccc3c(Cl)c4c(nc3c2)CCCC4)CC1 ZINC000555134348 505359515 /nfs/dbraw/zinc/35/95/15/505359515.db2.gz CAMWQDGYBMQMAE-UHFFFAOYSA-N 2 0 359.901 3.271 20 0 FGADRP CCC[N@H+](CC)C[C@H](C)NC(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000555171630 505370538 /nfs/dbraw/zinc/37/05/38/505370538.db2.gz MVBOSYSOBVTBSL-IBGZPJMESA-N 2 0 366.594 3.404 20 0 FGADRP C[C@H]([NH2+]Cc1ccnc(-n2cccn2)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000558403971 505378580 /nfs/dbraw/zinc/37/85/80/505378580.db2.gz UNUWUNFTHDOATE-RXVVDRJESA-N 2 0 361.493 3.268 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1conc1Cc1ccccc1 ZINC000552042625 505378988 /nfs/dbraw/zinc/37/89/88/505378988.db2.gz QUJCCAJZSATXST-OAQYLSRUSA-N 2 0 370.541 3.113 20 0 FGADRP C[N@@H+]1CC[C@H]([NH2+]C[C@]2(Cc3ccc(F)cc3)CCC[C@@H]2O)[C@H]2CCC[C@H]21 ZINC000552056616 505383318 /nfs/dbraw/zinc/38/33/18/505383318.db2.gz LIQSDOIZLAEEET-OQEHDIDLSA-N 2 0 360.517 3.362 20 0 FGADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2cnc(-c3ccncc3)s2)C1 ZINC000552102747 505400667 /nfs/dbraw/zinc/40/06/67/505400667.db2.gz QNIQVFBAQVFMGW-QGZVFWFLSA-N 2 0 360.527 3.138 20 0 FGADRP Cc1nccn1-c1ccc([C@H](C)NC(=O)N[C@@H]2C[C@H](C)n3ccnc32)cc1 ZINC000564540097 505446730 /nfs/dbraw/zinc/44/67/30/505446730.db2.gz MHQYBUMQKQEASF-SUNYJGFJSA-N 2 0 364.453 3.443 20 0 FGADRP C[C@@H](NC(=O)[C@H](C)[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)c1cccc2ccccc21 ZINC000567386871 505448001 /nfs/dbraw/zinc/44/80/01/505448001.db2.gz LKGLIEQXQBOPSW-BWPNAZKDSA-N 2 0 365.521 3.337 20 0 FGADRP CC[NH+]1CCN(Cc2ccc(NC(=O)CC[N@@H+]3CCCC[C@H]3C)cc2)CC1 ZINC000555546734 505453150 /nfs/dbraw/zinc/45/31/50/505453150.db2.gz FOFRUQFGZWYRJX-LJQANCHMSA-N 2 0 372.557 3.027 20 0 FGADRP CC[C@@H](NC(=O)CN1CC[C@]2(C1)CCC[N@H+](C)C2)c1ccc(Cl)cc1 ZINC000555598502 505469190 /nfs/dbraw/zinc/46/91/90/505469190.db2.gz WCSDLSASDVHYAX-UYAOXDASSA-N 2 0 363.933 3.325 20 0 FGADRP C[C@@H](CNC(=O)[C@@H]1C[NH2+]C[C@H]1c1ccc(Cl)cc1)[N@@H+]1CCCC[C@@H]1C ZINC000567515844 505485636 /nfs/dbraw/zinc/48/56/36/505485636.db2.gz DISSCYYAJLERAC-STEAMIEHSA-N 2 0 363.933 3.022 20 0 FGADRP Clc1ccc([C@@H]2CC[C@@H]([NH2+]Cc3nnc(C4CC[NH2+]CC4)[nH]3)C2)cc1 ZINC000567581140 505505090 /nfs/dbraw/zinc/50/50/90/505505090.db2.gz YXUANEAOJJLURV-NVXWUHKLSA-N 2 0 359.905 3.351 20 0 FGADRP CC(C)[NH2+]CCC[NH2+][C@@H](C)CC(=O)Nc1ccc(Br)cc1 ZINC000567638474 505521868 /nfs/dbraw/zinc/52/18/68/505521868.db2.gz DRLFFWBIVYVVQI-ZDUSSCGKSA-N 2 0 356.308 3.144 20 0 FGADRP C[C@H](NC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1)c1cccc2ccccc21 ZINC000564987703 505565641 /nfs/dbraw/zinc/56/56/41/505565641.db2.gz GJQTZXXEFFQYFV-CAUQANCSSA-N 2 0 365.521 3.465 20 0 FGADRP C[C@H](NC(=O)[C@H](C)[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)c1cc2ccccc2o1 ZINC000564989521 505565733 /nfs/dbraw/zinc/56/57/33/505565733.db2.gz PNFLNWYEBCCLDV-PBWTXFEYSA-N 2 0 369.509 3.320 20 0 FGADRP C[C@H](NC(=O)[C@H](C)[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)c1cc2ccccc2o1 ZINC000564989522 505565956 /nfs/dbraw/zinc/56/59/56/505565956.db2.gz PNFLNWYEBCCLDV-RNIPGJKVSA-N 2 0 369.509 3.320 20 0 FGADRP O=C(Nc1cccc2c1CC[NH2+]C2)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000567829420 505566617 /nfs/dbraw/zinc/56/66/17/505566617.db2.gz KIJRQYBOZWFLMU-GOSISDBHSA-N 2 0 367.468 3.322 20 0 FGADRP C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)C1 ZINC000582863421 506460829 /nfs/dbraw/zinc/46/08/29/506460829.db2.gz HFTUQNFHGPEKJC-OSZJIOELSA-N 2 0 369.553 3.455 20 0 FGADRP CSC1(C[NH2+][C@H](C)c2nnn(-c3ccccc3)c2C)CC[NH+](C)CC1 ZINC000589348054 506524790 /nfs/dbraw/zinc/52/47/90/506524790.db2.gz IASILVDZTIIJEA-OAHLLOKOSA-N 2 0 359.543 3.054 20 0 FGADRP CC(C)[NH2+][C@@H]1CCCN(C(=O)NCC(C)(C)[NH2+][C@@H](C)c2ccccc2)C1 ZINC000603610639 506577496 /nfs/dbraw/zinc/57/74/96/506577496.db2.gz XINRGAGTPFCVAE-PKOBYXMFSA-N 2 0 360.546 3.288 20 0 FGADRP CC(=O)Nc1cccc(C[NH2+]Cc2ccc(OCCC[NH+](C)C)cc2)c1 ZINC000589641149 506614857 /nfs/dbraw/zinc/61/48/57/506614857.db2.gz UPEIERYCJDMSRF-UHFFFAOYSA-N 2 0 355.482 3.265 20 0 FGADRP NC(=O)[C@H]1CC[C@H](C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)CC1 ZINC000583197695 506644246 /nfs/dbraw/zinc/64/42/46/506644246.db2.gz COBRWHNJIZWGIX-YOESJJQFSA-N 2 0 369.553 3.311 20 0 FGADRP CCC[NH+]1CCC(CNC(=O)N2CC[C@@H]([N@H+](C)Cc3ccccc3)C2)CC1 ZINC000608661414 506653341 /nfs/dbraw/zinc/65/33/41/506653341.db2.gz UODALVDBXQGTRD-OAQYLSRUSA-N 2 0 372.557 3.024 20 0 FGADRP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N2CC[C@@H]([NH+](C)Cc3ccccc3)C2)C1 ZINC000608671666 506659444 /nfs/dbraw/zinc/65/94/44/506659444.db2.gz WVOJFJFJMKFZSQ-LEWJYISDSA-N 2 0 372.557 3.023 20 0 FGADRP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NC[C@@H]1CCC[NH+]1Cc1ccccc1 ZINC000604107051 506715991 /nfs/dbraw/zinc/71/59/91/506715991.db2.gz YQHKZYVYPMVJTC-SBHAEUEKSA-N 2 0 372.557 3.071 20 0 FGADRP CC[NH+](CC)CCCNC(=O)N[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000604156964 506728920 /nfs/dbraw/zinc/72/89/20/506728920.db2.gz LHMYKBALDNABEQ-HXUWFJFHSA-N 2 0 360.546 3.245 20 0 FGADRP Cc1cccc(CN(CC[NH+](C)C)C(=O)NCC2([NH+](C)C)CCCCC2)c1 ZINC000604159856 506730325 /nfs/dbraw/zinc/73/03/25/506730325.db2.gz RYKLMBPAMFBNHX-UHFFFAOYSA-N 2 0 374.573 3.333 20 0 FGADRP C[NH+](C)CC1CC[NH+](C[C@H](O)COc2ccc(Cl)c(Cl)c2)CC1 ZINC000590125975 506743850 /nfs/dbraw/zinc/74/38/50/506743850.db2.gz ZXVVIAUHXBUZPN-AWEZNQCLSA-N 2 0 361.313 3.007 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000612962690 506840750 /nfs/dbraw/zinc/84/07/50/506840750.db2.gz ISZPSSSXRDNGOZ-YLJYHZDGSA-N 2 0 370.541 3.002 20 0 FGADRP O=C([C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000593963852 506854545 /nfs/dbraw/zinc/85/45/45/506854545.db2.gz FCAWMEJRTLRMDG-FPOVZHCZSA-N 2 0 373.516 3.125 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1ccccc1CC1CC[NH2+]CC1 ZINC000583755119 506954450 /nfs/dbraw/zinc/95/44/50/506954450.db2.gz FCJJUTVNORTAQE-GOSISDBHSA-N 2 0 357.542 3.223 20 0 FGADRP C[NH+](C)CC[C@@H](NC(=O)N1CCC([NH+]2CCCCC2)CC1)C(C)(C)C ZINC000604827562 506957623 /nfs/dbraw/zinc/95/76/23/506957623.db2.gz VDAJVDHSHBEFHR-GOSISDBHSA-N 2 0 352.567 3.013 20 0 FGADRP CC(C)[N@H+](C)CC1CCN(C(=O)NCC[NH+]2[C@@H](C)CCC[C@@H]2C)CC1 ZINC000594316884 507076997 /nfs/dbraw/zinc/07/69/97/507076997.db2.gz GQGXUEPWXTWJPE-ROUUACIJSA-N 2 0 352.567 3.011 20 0 FGADRP O=C(NC[C@H]1CCC[N@@H+]1Cc1ccccc1)Nc1ccc2c(c1)C[NH2+]C2 ZINC000583982986 507086299 /nfs/dbraw/zinc/08/62/99/507086299.db2.gz SXTUEWZDYYBMPU-HXUWFJFHSA-N 2 0 350.466 3.076 20 0 FGADRP CC(C)(C)[NH+]1CCC([NH2+]C[C@H](O)Cc2ccccc2C(F)(F)F)CC1 ZINC000583989129 507090039 /nfs/dbraw/zinc/09/00/39/507090039.db2.gz FHKZVYJKIKOFFZ-MRXNPFEDSA-N 2 0 358.448 3.461 20 0 FGADRP C[NH+](C)CCc1ccc(C(=O)NC[C@@H](c2ccc(Cl)cc2)[NH+](C)C)cc1 ZINC000584003027 507097942 /nfs/dbraw/zinc/09/79/42/507097942.db2.gz SLPHAMLCZFCQPB-FQEVSTJZSA-N 2 0 373.928 3.477 20 0 FGADRP C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)NC[C@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000584042152 507118728 /nfs/dbraw/zinc/11/87/28/507118728.db2.gz DQFPGWFDSKBDRI-LVCYWYKZSA-N 2 0 372.557 3.235 20 0 FGADRP CC(C[NH+]1CC[C@H](c2cccnc2)C1)C[N@@H+]1CC[C@H](c2cccnc2)C1 ZINC000584051175 507124010 /nfs/dbraw/zinc/12/40/10/507124010.db2.gz LFQDRPQAQIEIOR-VXKWHMMOSA-N 2 0 350.510 3.392 20 0 FGADRP CC(C)[C@@H](C(=O)NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1)[NH+]1CCCCC1 ZINC000591136772 507129208 /nfs/dbraw/zinc/12/92/08/507129208.db2.gz ZKUUFZZPCXKOSF-AQNXPRMDSA-N 2 0 351.579 3.371 20 0 FGADRP CCC[NH+]1CCC(C[NH2+]C[C@@H](O)COc2cccc3ccccc32)CC1 ZINC000584167908 507191108 /nfs/dbraw/zinc/19/11/08/507191108.db2.gz LGFBSKADRUDRQI-HXUWFJFHSA-N 2 0 356.510 3.291 20 0 FGADRP COc1ccccc1N1CCC([NH2+]CC2(SC)CC[NH+](C)CC2)CC1 ZINC000601124517 507269817 /nfs/dbraw/zinc/26/98/17/507269817.db2.gz HGSONZAXLZUJBP-UHFFFAOYSA-N 2 0 363.571 3.081 20 0 FGADRP FC(F)(F)c1ccn(-c2ccc(C[N@@H+]3CC[C@]4(C3)CCC[NH2+]C4)cc2)n1 ZINC000584351247 507297026 /nfs/dbraw/zinc/29/70/26/507297026.db2.gz YFAGOZRTGWBYNJ-GOSISDBHSA-N 2 0 364.415 3.467 20 0 FGADRP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N2CC[NH+](CC3CCCCC3)CC2)C1 ZINC000591618339 507314185 /nfs/dbraw/zinc/31/41/85/507314185.db2.gz QDVVXNREUMULFH-FQEVSTJZSA-N 2 0 364.578 3.014 20 0 FGADRP COc1ccc(C)cc1NC(=O)[C@@H](c1ccccc1)N1CCC[C@H](C[NH3+])C1 ZINC000584409838 507330436 /nfs/dbraw/zinc/33/04/36/507330436.db2.gz BGHHWVSVSCJGRN-DYESRHJHSA-N 2 0 367.493 3.354 20 0 FGADRP C/C(=C\c1ccccc1)C[NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000591697762 507334814 /nfs/dbraw/zinc/33/48/14/507334814.db2.gz ICNIRNLELGGULY-CZIZESTLSA-N 2 0 365.525 3.072 20 0 FGADRP CC[N@@H+]1CC[C@H]([NH+](C)CCC(=O)Nc2cc(Cl)ccc2OC)C[C@H]1C ZINC000584440387 507344206 /nfs/dbraw/zinc/34/42/06/507344206.db2.gz QCCVILLSPVPHSN-ZBFHGGJFSA-N 2 0 367.921 3.482 20 0 FGADRP CCc1ccc([C@H](CNC(=O)N2CCC[C@@H]2C[NH+]2CCCC2)[NH+](C)C)cc1 ZINC000584460958 507358312 /nfs/dbraw/zinc/35/83/12/507358312.db2.gz YWTSJORMYJPRQB-RTWAWAEBSA-N 2 0 372.557 3.122 20 0 FGADRP COC(=O)c1csc([C@@H](C)[NH2+]CC2CC[NH+](C3CCOCC3)CC2)c1 ZINC000595047149 507368705 /nfs/dbraw/zinc/36/87/05/507368705.db2.gz AOSJIXIQDHZAKH-CQSZACIVSA-N 2 0 366.527 3.076 20 0 FGADRP COc1cc(C[NH2+]CCCC[NH+]2C[C@H](C)C[C@@H](C)C2)cc(OC)c1O ZINC000584496568 507376983 /nfs/dbraw/zinc/37/69/83/507376983.db2.gz JFTVCFCSRZQWQN-HZPDHXFCSA-N 2 0 350.503 3.257 20 0 FGADRP CC[NH+](CC)Cc1cccc(CNC(=O)N[C@@H](C)C2CC[NH+](C)CC2)c1 ZINC000606636324 507459856 /nfs/dbraw/zinc/45/98/56/507459856.db2.gz CENFMOLAFRGDHF-KRWDZBQOSA-N 2 0 360.546 3.058 20 0 FGADRP CC[NH+](CC)C[C@H](C)NC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000606659596 507472365 /nfs/dbraw/zinc/47/23/65/507472365.db2.gz OOTBDALOIJVJOW-ZVDOUQERSA-N 2 0 374.573 3.411 20 0 FGADRP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000606684338 507478497 /nfs/dbraw/zinc/47/84/97/507478497.db2.gz QVFXTFCSUJAHFQ-PMACEKPBSA-N 2 0 364.578 3.301 20 0 FGADRP CC[N@@H+]1CC[C@H](CNC(=O)c2ccccc2OCC[NH+]2CCCC[C@@H]2C)C1 ZINC000595407435 507482858 /nfs/dbraw/zinc/48/28/58/507482858.db2.gz RUAAOFUDKBCUSZ-RBUKOAKNSA-N 2 0 373.541 3.011 20 0 FGADRP C[C@H](NC(=O)N1CCC(C[NH+]2CCCCCC2)CC1)C1CC[NH+](C)CC1 ZINC000606700896 507486934 /nfs/dbraw/zinc/48/69/34/507486934.db2.gz RTSPHHIEFQCSLU-SFHVURJKSA-N 2 0 364.578 3.014 20 0 FGADRP CN(c1ccccc1)c1ccc(C[N@@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)cn1 ZINC000584782184 507501143 /nfs/dbraw/zinc/50/11/43/507501143.db2.gz MSFAMNKLFNGBOW-LJQANCHMSA-N 2 0 366.509 3.037 20 0 FGADRP COC(=O)c1cc(C[NH+]2CCC(CCC[NH+](C)C)CC2)n2c1CCCC2 ZINC000598672305 507545249 /nfs/dbraw/zinc/54/52/49/507545249.db2.gz KXRNKQKOMHFEKV-UHFFFAOYSA-N 2 0 361.530 3.165 20 0 FGADRP COC(=O)c1cccc(C[N@@H+]2CC[C@@H]3C[C@@H]3C2)c1C[NH+]1CC[C@@H]2C[C@@H]2C1 ZINC000595810976 507697806 /nfs/dbraw/zinc/69/78/06/507697806.db2.gz QSPSWEPDPOCOJV-PSBWJHGTSA-N 2 0 354.494 3.157 20 0 FGADRP C[C@@H](c1ccc(-c2nn[nH]n2)cc1)[N@@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000736275185 599337984 /nfs/dbraw/zinc/33/79/84/599337984.db2.gz HYMAUJFMXRGQPV-ROUUACIJSA-N 2 0 368.529 3.372 20 0 FGADRP Cc1cc(C)cc(NC(=S)N(CCC[NH+](C)C)CCC[NH+](C)C)c1 ZINC000007518590 695571163 /nfs/dbraw/zinc/57/11/63/695571163.db2.gz ZIGUEDUXCYHNJF-UHFFFAOYSA-N 2 0 350.576 3.206 20 0 FGADRP CC(C)COC(=O)N1CCC([NH2+]CCCC[NH+]2CCC(C)CC2)CC1 ZINC000089139110 700382538 /nfs/dbraw/zinc/38/25/38/700382538.db2.gz AEBBRSPRELHKNL-UHFFFAOYSA-N 2 0 353.551 3.345 20 0 FGADRP C[C@H]([NH2+]C[C@H](c1cccc(Cl)c1)N1CCOCC1)C1CC[NH+](C)CC1 ZINC000089549318 700391981 /nfs/dbraw/zinc/39/19/81/700391981.db2.gz FMAYELJPEJBLLW-OXJNMPFZSA-N 2 0 365.949 3.033 20 0 FGADRP CN(C)CC[NH+]1CCC(C[NH2+]Cc2ccc(CSC(F)F)o2)CC1 ZINC000105451293 700501082 /nfs/dbraw/zinc/50/10/82/700501082.db2.gz YAGYCNVESOJRGZ-UHFFFAOYSA-N 2 0 361.502 3.099 20 0 FGADRP Cc1cnc(CC[NH+](C)C/C=C/C[N@H+](C)CCc2ncc(C)s2)s1 ZINC000137169504 704868495 /nfs/dbraw/zinc/86/84/95/704868495.db2.gz MVHBEZSRAPAWAD-AATRIKPKSA-N 2 0 364.584 3.421 20 0 FGADRP C[NH+]1CCN(C(C)(C)C[NH2+]Cc2ccc(Cl)cc2Br)CC1 ZINC000149721836 704897680 /nfs/dbraw/zinc/89/76/80/704897680.db2.gz UQQZPBPDIHWWKW-UHFFFAOYSA-N 2 0 374.754 3.218 20 0 FGADRP CC(C)(C)OC(=O)N1CCC[C@H](C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)C1 ZINC000150829532 704902660 /nfs/dbraw/zinc/90/26/60/704902660.db2.gz YDWGEHNFNRNJTN-QZTJIDSGSA-N 2 0 351.535 3.051 20 0 FGADRP C[C@@H](CSC(C)(C)C)[NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000163518724 705315638 /nfs/dbraw/zinc/31/56/38/705315638.db2.gz KEGUWGSZYGUCEY-HNNXBMFYSA-N 2 0 357.608 3.123 20 0 FGADRP CN(C)CC[NH+]1CCC(C[NH2+][C@H]2CCSc3c(F)cccc32)CC1 ZINC000178739059 705674448 /nfs/dbraw/zinc/67/44/48/705674448.db2.gz VFCHGKDAKPRCKI-SFHVURJKSA-N 2 0 351.535 3.226 20 0 FGADRP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000182541411 705849204 /nfs/dbraw/zinc/84/92/04/705849204.db2.gz VKWQSULGWNEMGD-SOLBZPMBSA-N 2 0 351.535 3.238 20 0 FGADRP CN(CCCC[NH+]1CCCCC1)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000641734916 717924641 /nfs/dbraw/zinc/92/46/41/717924641.db2.gz BVNCLDCMLVSZDA-UHFFFAOYSA-N 2 0 352.567 3.203 20 0 FGADRP Cc1cc(Br)ccc1[C@H](C)[NH2+][C@H](C)CN1CC[NH+](C)CC1 ZINC000641776269 717928731 /nfs/dbraw/zinc/92/87/31/717928731.db2.gz WMKPAEYFGOUPLX-CABCVRRESA-N 2 0 354.336 3.044 20 0 FGADRP C[N@H+](CCN1CC[NH2+]CC1)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000327023092 713821395 /nfs/dbraw/zinc/82/13/95/713821395.db2.gz JAIMQEXDONQHAJ-UHFFFAOYSA-N 2 0 369.353 3.061 20 0 FGADRP CC(C)(C)OC(=O)Nc1ncc(CN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)s1 ZINC000374328285 713913962 /nfs/dbraw/zinc/91/39/62/713913962.db2.gz IAGUFTVSLBISKV-QWHCGFSZSA-N 2 0 352.504 3.207 20 0 FGADRP C[NH+]1CCN(C(C)(C)C[NH2+][C@@H]2CCc3ccc(Br)cc32)CC1 ZINC000390234504 713988764 /nfs/dbraw/zinc/98/87/64/713988764.db2.gz QECDUMUOTRXXID-QGZVFWFLSA-N 2 0 366.347 3.052 20 0 FGADRP CC[N@H+](CCC1CCN(C(=O)N[C@H]2CCC[C@H]([NH3+])C2)CC1)CC(C)C ZINC000418567773 714010286 /nfs/dbraw/zinc/01/02/86/714010286.db2.gz BFGHQIYPLCRWIQ-OALUTQOASA-N 2 0 352.567 3.046 20 0 FGADRP CC[C@@H](C(=O)NCC1CC[NH+](Cc2cccs2)CC1)[NH+](CC)CC ZINC000524037638 714265501 /nfs/dbraw/zinc/26/55/01/714265501.db2.gz HMQYNTVPLQKPFF-SFHVURJKSA-N 2 0 351.560 3.197 20 0 FGADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCC[NH+]2CCCC[C@H]2C)C1 ZINC000524263707 714275682 /nfs/dbraw/zinc/27/56/82/714275682.db2.gz UWWRKDJDMOOWKD-QZTJIDSGSA-N 2 0 352.567 3.061 20 0 FGADRP C[C@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000579931721 714500852 /nfs/dbraw/zinc/50/08/52/714500852.db2.gz MTGCQZGSWIQRSP-RDBSUJKOSA-N 2 0 357.420 3.400 20 0 FGADRP C[NH+](C)CCC1CCN(C(=O)NCC2([NH+](C)C)CCCCCC2)CC1 ZINC000615626786 714540777 /nfs/dbraw/zinc/54/07/77/714540777.db2.gz ZPOJUBJYNGXFKM-UHFFFAOYSA-N 2 0 352.567 3.014 20 0 FGADRP C[C@H](CNC(=O)N1CC[NH+](CCC(C)(C)C)CC1)[N@@H+]1CCCC[C@H]1C ZINC000615672311 714543950 /nfs/dbraw/zinc/54/39/50/714543950.db2.gz UBNMRRUGZTYSHR-QZTJIDSGSA-N 2 0 352.567 3.013 20 0 FGADRP CC[NH+](CC)CC1CC[NH+](C[C@H](O)COc2ccccc2Cl)CC1 ZINC000642643651 717986293 /nfs/dbraw/zinc/98/62/93/717986293.db2.gz MRBHXUMQCDEYIS-KRWDZBQOSA-N 2 0 354.922 3.134 20 0 FGADRP CCC[N@H+](C)CC(C)(C)NC(=O)[C@@H]1C[NH+](C(C)(C)C)C[C@H]1C(F)(F)F ZINC000620620774 714926473 /nfs/dbraw/zinc/92/64/73/714926473.db2.gz BMRWONGYOVKUSI-ZIAGYGMSSA-N 2 0 365.484 3.132 20 0 FGADRP C[N@H+](CCCNC(=O)N1CCC[NH+](C(C)(C)C)CC1)C1CCCCC1 ZINC000622090193 715052734 /nfs/dbraw/zinc/05/27/34/715052734.db2.gz QXNBBUIWESXHMC-UHFFFAOYSA-N 2 0 352.567 3.157 20 0 FGADRP CSc1nnc(CCC[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)n1CC(C)C ZINC000623418620 715332407 /nfs/dbraw/zinc/33/24/07/715332407.db2.gz XYCAKGTVWASACG-OAHLLOKOSA-N 2 0 353.580 3.051 20 0 FGADRP CN1C(=O)C[C@H](N[C@H]2CC[N@H+](C)C(C)(C)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000623472193 715342808 /nfs/dbraw/zinc/34/28/08/715342808.db2.gz HUGWUJUDWSTLCB-OWQGQXMQSA-N 2 0 367.896 3.213 20 0 FGADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H](C)c2cc(Br)ccc2C)CC1 ZINC000623863170 715417609 /nfs/dbraw/zinc/41/76/09/715417609.db2.gz LFSVXJMDRZJADG-HZPDHXFCSA-N 2 0 368.363 3.434 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H]1CCCN1CC(F)F ZINC000624094957 715470597 /nfs/dbraw/zinc/47/05/97/715470597.db2.gz RCCCVOVXKAWMHT-NEWSRXKRSA-N 2 0 351.485 3.216 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H]1CCCN1CC(F)F ZINC000624094958 715471001 /nfs/dbraw/zinc/47/10/01/715471001.db2.gz RCCCVOVXKAWMHT-NZSAHSFTSA-N 2 0 351.485 3.216 20 0 FGADRP C[NH+]1CCN(CCC[NH2+][C@H](c2cccc(Cl)c2)c2ccccn2)CC1 ZINC000779590981 724418790 /nfs/dbraw/zinc/41/87/90/724418790.db2.gz PTBCVQBNCSGCEW-HXUWFJFHSA-N 2 0 358.917 3.052 20 0 FGADRP C[NH+](C)C[C@H](NC(=O)N[C@@H]1CC[C@H](C[NH3+])C1)c1ccc(Cl)c(Cl)c1 ZINC000627103381 715997094 /nfs/dbraw/zinc/99/70/94/715997094.db2.gz QYIWNRFJLIRBKQ-GHJWDPDVSA-N 2 0 373.328 3.023 20 0 FGADRP C[NH+](C)CCOc1ccccc1N1CC[NH+](C[C@]2(C)CCCS2)CC1 ZINC000628175379 716120871 /nfs/dbraw/zinc/12/08/71/716120871.db2.gz VNSQATLIIUJLHW-FQEVSTJZSA-N 2 0 363.571 3.035 20 0 FGADRP [NH3+]C[C@@H]1C[N@H+](CCC(=O)Nc2cccc(Cl)c2)CC[C@@H]1C(F)(F)F ZINC000629565062 716309230 /nfs/dbraw/zinc/30/92/30/716309230.db2.gz USKHWLWCXLNGCL-RISCZKNCSA-N 2 0 363.811 3.128 20 0 FGADRP OCC[C@@H]([NH2+]C1CCN(C[C@H]2CCCO2)CC1)c1ccc(Cl)c(F)c1 ZINC000631663439 716655861 /nfs/dbraw/zinc/65/58/61/716655861.db2.gz XXGFVRYEDQYWGA-VQIMIIECSA-N 2 0 370.896 3.136 20 0 FGADRP c1cc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)cc(N2CCSCC2)n1 ZINC000635009941 717139666 /nfs/dbraw/zinc/13/96/66/717139666.db2.gz PFKADRSEOSMRLS-GUDVDZBRSA-N 2 0 360.571 3.035 20 0 FGADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000635013839 717139852 /nfs/dbraw/zinc/13/98/52/717139852.db2.gz WQVKEXKBXBSAAH-LZLYRXPVSA-N 2 0 352.544 3.094 20 0 FGADRP Cc1cc(C[NH3+])oc1C(=O)NC[C@@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000638050246 717404304 /nfs/dbraw/zinc/40/43/04/717404304.db2.gz MRTMUCMGKCXIQV-INIZCTEOSA-N 2 0 361.511 3.311 20 0 FGADRP CC[C@H](C)[C@@H](C[N@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1)OC ZINC000638136909 717411597 /nfs/dbraw/zinc/41/15/97/717411597.db2.gz PBAIYZFBOKXXTQ-GHTZIAJQSA-N 2 0 353.595 3.176 20 0 FGADRP C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000638432326 717447451 /nfs/dbraw/zinc/44/74/51/717447451.db2.gz YHLPOEVYWSBPHA-CQSZACIVSA-N 2 0 358.448 3.461 20 0 FGADRP C[NH+](C)C[C@@H](NC(=O)[C@H]1CCC[NH2+]CC1)c1ccc(Cl)c(Cl)c1 ZINC000638665054 717474048 /nfs/dbraw/zinc/47/40/48/717474048.db2.gz ZDCOJICGAVJROP-BLLLJJGKSA-N 2 0 358.313 3.102 20 0 FGADRP Cc1sc2nc([C@@H](C)[N@@H+]3CCC4(C3)CC[NH+](C)CC4)nc(N)c2c1C ZINC000639758853 717599215 /nfs/dbraw/zinc/59/92/15/717599215.db2.gz XHLHBHKONGVWCZ-CYBMUJFWSA-N 2 0 359.543 3.369 20 0 FGADRP C[C@H]([NH2+][C@@H]1CC[C@](O)(C(F)(F)F)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000644553370 718123533 /nfs/dbraw/zinc/12/35/33/718123533.db2.gz KWPYCQLMKVKYSI-DZOHQFGASA-N 2 0 356.432 3.333 20 0 FGADRP C[N@@H+]1CCC[C@@H](CC[NH2+]C[C@@H](O)COc2ccc(Cl)c(Cl)c2)C1 ZINC000644669075 718140248 /nfs/dbraw/zinc/14/02/48/718140248.db2.gz AKZVQTJFYPGQKL-UONOGXRCSA-N 2 0 361.313 3.055 20 0 FGADRP C[NH+]1CCC(N2CC[C@@H]([NH2+][C@@H](Cc3ccccc3Cl)C3CC3)C2)CC1 ZINC000645409083 718208483 /nfs/dbraw/zinc/20/84/83/718208483.db2.gz VSFHYKXCELOVJZ-NQIIRXRSSA-N 2 0 361.961 3.419 20 0 FGADRP C[C@@H]1CC2(C[NH+]1CCC[N@H+]1CC3(C[C@@H]1C)CCOCC3)CCOCC2 ZINC000646096779 718262937 /nfs/dbraw/zinc/26/29/37/718262937.db2.gz UNXQMCGSYTUHPR-KDURUIRLSA-N 2 0 350.547 3.159 20 0 FGADRP Oc1ccc(Br)c(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC000647543708 718366514 /nfs/dbraw/zinc/36/65/14/718366514.db2.gz RFHQPAKKRPHWAQ-ZIAGYGMSSA-N 2 0 353.304 3.366 20 0 FGADRP C[C@H](C[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2)c1cccc(Br)c1 ZINC000647545462 718366870 /nfs/dbraw/zinc/36/68/70/718366870.db2.gz OZLQOMUNMJKXLP-ZBFHGGJFSA-N 2 0 367.331 3.240 20 0 FGADRP Brc1ccc(N2CC[C@H]([NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@@H]4C3)C2)cc1 ZINC000647784225 718377845 /nfs/dbraw/zinc/37/78/45/718377845.db2.gz MQISYBOMHIQMOH-WTTBNOFXSA-N 2 0 364.331 3.006 20 0 FGADRP CN(C)[C@H](C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)c1cccc(C(F)(F)F)c1 ZINC000647795224 718377968 /nfs/dbraw/zinc/37/79/68/718377968.db2.gz LEONKGZSAIZNCR-CWLKWCNXSA-N 2 0 355.448 3.286 20 0 FGADRP C[N@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(C[C@H]2CC[NH2+]C2)CC1 ZINC000647988414 718392936 /nfs/dbraw/zinc/39/29/36/718392936.db2.gz GTUYUACZXAJKMD-INIZCTEOSA-N 2 0 355.448 3.211 20 0 FGADRP [NH3+]Cc1ccc(C(=O)N(CC[NH+]2CCCC2)Cc2ccc(Cl)cc2)o1 ZINC000648153060 718401597 /nfs/dbraw/zinc/40/15/97/718401597.db2.gz BJQLLWZFIDRICV-UHFFFAOYSA-N 2 0 361.873 3.130 20 0 FGADRP [NH3+][C@H](C(=O)N1CCC(CCC[NH+]2CCCC2)CC1)c1cccc(Cl)c1 ZINC000648159940 718401878 /nfs/dbraw/zinc/40/18/78/718401878.db2.gz AZJSFHPNLDGTCT-IBGZPJMESA-N 2 0 363.933 3.454 20 0 FGADRP CC1CC[NH+](C[C@@H]2CCCN(C(=O)[C@H]([NH3+])c3cccc(Cl)c3)C2)CC1 ZINC000649310900 718502869 /nfs/dbraw/zinc/50/28/69/718502869.db2.gz LLVFNEAEUTTZKF-QFBILLFUSA-N 2 0 363.933 3.310 20 0 FGADRP COC[C@H]1CCC[NH+]1Cc1cc(C[N@H+]2CCC[C@H]2COC)ccc1F ZINC000649339096 718505323 /nfs/dbraw/zinc/50/53/23/718505323.db2.gz MGZRYMHAAMENOV-RBUKOAKNSA-N 2 0 350.478 3.047 20 0 FGADRP C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)[C@H]([NH3+])c2cccc(Cl)c2)C1 ZINC000649342909 718505390 /nfs/dbraw/zinc/50/53/90/718505390.db2.gz WVNUZGYUDYIYEJ-RTBURBONSA-N 2 0 357.885 3.073 20 0 FGADRP CCOc1c(Cl)cccc1C[N@@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000650707929 718717631 /nfs/dbraw/zinc/71/76/31/718717631.db2.gz QDICMGHYXICPAE-YXJHDRRASA-N 2 0 352.906 3.457 20 0 FGADRP Cn1c2cc(Cl)ccc2nc1C[N@@H+]1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC000650723542 718720457 /nfs/dbraw/zinc/72/04/57/718720457.db2.gz PUUMGSRRVQWOQF-QGPMSJSTSA-N 2 0 362.905 3.088 20 0 FGADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@@H+]2Cc2sccc2Br)C1 ZINC000650723787 718721085 /nfs/dbraw/zinc/72/10/85/718721085.db2.gz UCRIPDFREITPNK-KWCYVHTRSA-N 2 0 359.333 3.371 20 0 FGADRP CC[N@H+](CCCNC(=O)N(C)[C@H]1CC[NH+](C)[C@H](C)C1)C1CCCCC1 ZINC000651219723 718783538 /nfs/dbraw/zinc/78/35/38/718783538.db2.gz FWIVCQFAIYQMDD-MJGOQNOKSA-N 2 0 352.567 3.155 20 0 FGADRP C[C@H]1CCC[N@H+](CCC(=O)Nc2cccc(Br)c2)[C@@H]1CC[NH3+] ZINC000652354562 718936398 /nfs/dbraw/zinc/93/63/98/718936398.db2.gz BWFBYYMCPKPJGG-XJKSGUPXSA-N 2 0 368.319 3.227 20 0 FGADRP C[C@H]1CN(C(=O)Nc2ccc(SCC[NH+]3CCCC3)cc2)CC[C@H]1[NH3+] ZINC000652613442 718965873 /nfs/dbraw/zinc/96/58/73/718965873.db2.gz UNMXVWGKXHPUQT-MAUKXSAKSA-N 2 0 362.543 3.076 20 0 FGADRP CC1(C)CN(C(=O)Nc2ccc(SCC[NH+]3CCCC3)cc2)CC[NH2+]1 ZINC000652613954 718966523 /nfs/dbraw/zinc/96/65/23/718966523.db2.gz IWBXWDHPOVCGGU-UHFFFAOYSA-N 2 0 362.543 3.090 20 0 FGADRP Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)[C@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000653114533 719013323 /nfs/dbraw/zinc/01/33/23/719013323.db2.gz LUQOHWODIDPBGN-RBUKOAKNSA-N 2 0 359.539 3.013 20 0 FGADRP C[C@@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+]CC1([NH3+])CCCC1 ZINC000656789021 719471129 /nfs/dbraw/zinc/47/11/29/719471129.db2.gz IBSXRVKLPDNDNS-LBPRGKRZSA-N 2 0 359.392 3.163 20 0 FGADRP C[C@@H]1CCC[C@@H](C[NH2+]Cc2c(Cl)cccc2N2CC[NH+](C)CC2)O1 ZINC000657668304 719691494 /nfs/dbraw/zinc/69/14/94/719691494.db2.gz UAVNPYRJGNSRLU-CVEARBPZSA-N 2 0 351.922 3.139 20 0 FGADRP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+][C@@H]3Cc4ccc(Cl)cc4C3)cc2)C1 ZINC000658135787 719761407 /nfs/dbraw/zinc/76/14/07/719761407.db2.gz AUMZIFJSRQRKQS-NHCUHLMSSA-N 2 0 356.897 3.164 20 0 FGADRP C[C@H]1C[N@H+](CCSc2cccc(Cl)c2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000660153728 719998175 /nfs/dbraw/zinc/99/81/75/719998175.db2.gz HEMAKDPUEBPUKJ-LPHOPBHVSA-N 2 0 367.990 3.390 20 0 FGADRP FC(F)(F)c1ccccc1[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662281901 720409540 /nfs/dbraw/zinc/40/95/40/720409540.db2.gz MIXHNIMDOVPHLR-UKPHBRMFSA-N 2 0 354.416 3.452 20 0 FGADRP c1csc(-c2noc(CCC[NH+]3CCC([C@H]4CCC[NH2+]C4)CC3)n2)c1 ZINC000662290533 720410625 /nfs/dbraw/zinc/41/06/25/720410625.db2.gz FTOAKQGCCFDZEU-INIZCTEOSA-N 2 0 360.527 3.442 20 0 FGADRP C[C@H](NC(=O)C[N@@H+]1CCC[C@@H](C)[C@H]1CCC[NH3+])c1ccc(Cl)cc1 ZINC000662312245 720414177 /nfs/dbraw/zinc/41/41/77/720414177.db2.gz AGTXXGRYIATATG-RVKKMQEKSA-N 2 0 351.922 3.357 20 0 FGADRP O=C(C[C@@H]1[NH2+]Cc2ccccc21)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000662347175 720417410 /nfs/dbraw/zinc/41/74/10/720417410.db2.gz CYQNMIAUQGPZKK-ROUUACIJSA-N 2 0 355.507 3.236 20 0 FGADRP CC[NH+](CC)Cc1ccccc1CNC(=O)c1cc2c(s1)CC[NH2+]C2 ZINC000662356450 720418184 /nfs/dbraw/zinc/41/81/84/720418184.db2.gz QRMRGDOJJYFZES-UHFFFAOYSA-N 2 0 357.523 3.166 20 0 FGADRP C[NH+](C)C[C@@H](NC(=O)C[C@@H]1[NH2+]Cc2ccccc21)c1ccc(Cl)cc1 ZINC000662532312 720438775 /nfs/dbraw/zinc/43/87/75/720438775.db2.gz PUJZPQLQJRJCGR-RBUKOAKNSA-N 2 0 357.885 3.294 20 0 FGADRP C[NH+](C)CCOc1ccc(C[NH2+]Cc2cnccc2C(F)(F)F)cc1 ZINC000663353017 720504391 /nfs/dbraw/zinc/50/43/91/720504391.db2.gz ZCZCUNLCSIXAGL-UHFFFAOYSA-N 2 0 353.388 3.331 20 0 FGADRP CC(C)[C@H]([NH3+])CC[NH2+][C@H](C)CC(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000663504321 720520327 /nfs/dbraw/zinc/52/03/27/720520327.db2.gz ZOZWUBMKNFOBOQ-IUODEOHRSA-N 2 0 361.408 3.265 20 0 FGADRP COC[C@H](CCC[NH3+])[NH2+]CC1(Cc2ccc(Br)cc2)CC1 ZINC000665265146 720748690 /nfs/dbraw/zinc/74/86/90/720748690.db2.gz QJTGXPKOWSFZOB-INIZCTEOSA-N 2 0 355.320 3.115 20 0 FGADRP CCSc1ccc([C@@H](C)[NH2+]C2CCN(C(=O)CCC[NH2+]C)CC2)cc1 ZINC000665287338 720750490 /nfs/dbraw/zinc/75/04/90/720750490.db2.gz IOHOYKFSXQBTAL-MRXNPFEDSA-N 2 0 363.571 3.440 20 0 FGADRP CCOc1cc(C[NH2+][C@@H]2CCC[NH2+]CC2)cc(Br)c1OC ZINC000666855308 720991082 /nfs/dbraw/zinc/99/10/82/720991082.db2.gz LMIXBRDZYATIAX-CYBMUJFWSA-N 2 0 357.292 3.088 20 0 FGADRP C[C@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000666954215 721005327 /nfs/dbraw/zinc/00/53/27/721005327.db2.gz SDEOCJKOZXMHIH-IUODEOHRSA-N 2 0 355.404 3.154 20 0 FGADRP Cn1ccc2c1cc[nH+]c2N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164897085 721522915 /nfs/dbraw/zinc/52/29/15/721522915.db2.gz DPRHYBPLGZUKAO-WMZOPIPTSA-N 2 0 366.440 3.054 20 0 FGADRP Cc1c[nH+]c(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)c(N)c1 ZINC001165028915 721820151 /nfs/dbraw/zinc/82/01/51/721820151.db2.gz YCILGGKRZUZGAR-XKGZKEIXSA-N 2 0 351.498 3.104 20 0 FGADRP CCC1(O)CCC([NH2+]Cc2c(Cl)cccc2N2CC[NH+](C)CC2)CC1 ZINC000678497412 721961165 /nfs/dbraw/zinc/96/11/65/721961165.db2.gz FATXDZVZPSZDAV-UHFFFAOYSA-N 2 0 365.949 3.265 20 0 FGADRP C[C@H]1CCCC[N@@H+]1CCCC[NH2+][C@H]1CCS(=O)(=O)c2ccc(F)cc21 ZINC000678806704 721980081 /nfs/dbraw/zinc/98/00/81/721980081.db2.gz QBRUJFKYJSQLII-YJBOKZPZSA-N 2 0 368.518 3.288 20 0 FGADRP C[C@@H]([NH2+][C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)C1CC[NH+](C)CC1 ZINC000679366101 722025234 /nfs/dbraw/zinc/02/52/34/722025234.db2.gz JQRURQFXFCSSJE-SJKOYZFVSA-N 2 0 370.324 3.419 20 0 FGADRP C(C[NH+]1CCOCC2(CCCC2)C1)C[N@@H+]1CCOCC2(CCCC2)C1 ZINC000681476904 722206799 /nfs/dbraw/zinc/20/67/99/722206799.db2.gz YOCKGEWPNQDUFI-UHFFFAOYSA-N 2 0 350.547 3.162 20 0 FGADRP C[N@H+](C[C@H](O)COc1cc(Cl)ccc1Cl)C[C@@H]1CCC[NH+](C)C1 ZINC000741253398 722543870 /nfs/dbraw/zinc/54/38/70/722543870.db2.gz VUXJCFRXVURJCW-HIFRSBDPSA-N 2 0 361.313 3.007 20 0 FGADRP C[C@H](OC[C@H](O)C[N@H+](C)C[C@@H]1CCC[NH+](C)C1)c1ccc(Cl)cc1 ZINC000741385403 722545346 /nfs/dbraw/zinc/54/53/46/722545346.db2.gz FTDWORQIJDDYIO-FRQCXROJSA-N 2 0 354.922 3.052 20 0 FGADRP CC[N@@H+]1CC[C@@H]([NH2+]CCC2CCN(C(=O)OC(C)(C)C)CC2)[C@@H](C)C1 ZINC000742385863 722556689 /nfs/dbraw/zinc/55/66/89/722556689.db2.gz ZAORDRRSKBIJJJ-FUHWJXTLSA-N 2 0 353.551 3.344 20 0 FGADRP CC(C)[N@@H+]1CCCN(C(=O)NCCCCCCC[NH+]2CCCC2)CC1 ZINC000747956902 722669370 /nfs/dbraw/zinc/66/93/70/722669370.db2.gz OPLWEJYUHBJBAQ-UHFFFAOYSA-N 2 0 352.567 3.158 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=S)Nc1ccc(Cl)cc1 ZINC000751009920 722790640 /nfs/dbraw/zinc/79/06/40/722790640.db2.gz DVZWHMFSWRCKKR-QGZVFWFLSA-N 2 0 368.978 3.385 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=S)Nc1cccc(C)c1C ZINC000751011980 722790654 /nfs/dbraw/zinc/79/06/54/722790654.db2.gz QOQBBOZNOUZANO-GOSISDBHSA-N 2 0 362.587 3.348 20 0 FGADRP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)NCCCCCCC[NH+]1CCCC1 ZINC000754373882 722936196 /nfs/dbraw/zinc/93/61/96/722936196.db2.gz IDOSVVSTRHJPCL-MOPGFXCFSA-N 2 0 352.567 3.014 20 0 FGADRP C[NH+](C)CC1(C[NH2+][C@H]2CCC[C@H]2CNC(=O)OC(C)(C)C)CCCC1 ZINC000760898809 723103075 /nfs/dbraw/zinc/10/30/75/723103075.db2.gz SHEJGMOKHMYPOK-IRXDYDNUSA-N 2 0 353.551 3.391 20 0 FGADRP C[N@@H+]1CC[C@H]([NH2+]CC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)[C@H]2CCC[C@H]21 ZINC000796753250 723653563 /nfs/dbraw/zinc/65/35/63/723653563.db2.gz CZINIIOWZWITGU-ZJPYXAASSA-N 2 0 351.535 3.096 20 0 FGADRP C[C@@H]1[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)CCCN1C(=O)OC(C)(C)C ZINC000796952957 723660916 /nfs/dbraw/zinc/66/09/16/723660916.db2.gz JUGRTGXNQMOOBR-DUQPFJRNSA-N 2 0 351.535 3.237 20 0 FGADRP C[C@H]([NH2+]CCCN(C)C(=O)OC(C)(C)C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000797981647 723894947 /nfs/dbraw/zinc/89/49/47/723894947.db2.gz SDEZEVVVBYUREZ-DLBZAZTESA-N 2 0 353.551 3.486 20 0 FGADRP C[N@H+](CC[C@H]1CCCC[NH+]1C)C[C@]1(C)CCN(C(=O)OC(C)(C)C)C1 ZINC000798944840 723977418 /nfs/dbraw/zinc/97/74/18/723977418.db2.gz DIPOIAZLNICHQQ-XLIONFOSSA-N 2 0 353.551 3.440 20 0 FGADRP CC(C)(C)OC(=O)NC1CC([NH2+]C2CCC([NH+]3CCCCC3)CC2)C1 ZINC000809624447 725253480 /nfs/dbraw/zinc/25/34/80/725253480.db2.gz KFPYEPUFKGUGAF-UHFFFAOYSA-N 2 0 351.535 3.429 20 0 FGADRP C[C@H]1CC[C@H]1[NH2+]C1CCC([NH+]2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000812744482 726807687 /nfs/dbraw/zinc/80/76/87/726807687.db2.gz GZXFRVRIMWJLCQ-FCCDEINASA-N 2 0 351.535 3.238 20 0 FGADRP CC[N@H+](C)C[C@@H]1CC[NH+](C[C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)C1 ZINC000813336121 726862639 /nfs/dbraw/zinc/86/26/39/726862639.db2.gz LRYSVGABQOHOQW-KSZLIROESA-N 2 0 353.551 3.296 20 0 FGADRP CC(C)(C)OC(=O)N1C[C@@H](F)C[C@H]1C[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000813879088 726920436 /nfs/dbraw/zinc/92/04/36/726920436.db2.gz KYFHXYJCULQNOX-HOCLYGCPSA-N 2 0 357.514 3.186 20 0 FGADRP C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1[NH2+]CCCCC[NH+]1CCCC1 ZINC000815646816 727088293 /nfs/dbraw/zinc/08/82/93/727088293.db2.gz SYHYBDNAHNDNPR-ROUUACIJSA-N 2 0 353.551 3.488 20 0 FGADRP C[NH+](C)C1CCC([NH2+]Cc2c(F)ccc(C3OCCO3)c2Cl)CC1 ZINC000817414351 727248859 /nfs/dbraw/zinc/24/88/59/727248859.db2.gz XATCBDDDJOIKIM-UHFFFAOYSA-N 2 0 356.869 3.487 20 0 FGADRP CC[NH+](CC)Cc1cc([C@H](C)N[C@H]2C[NH2+]CCC2(F)F)ccc1OC ZINC000817979718 727290150 /nfs/dbraw/zinc/29/01/50/727290150.db2.gz DKBHVTPWSWRMTA-KSSFIOAISA-N 2 0 355.473 3.185 20 0 FGADRP CC[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000817987866 727290662 /nfs/dbraw/zinc/29/06/62/727290662.db2.gz ZAQQVZMAMBECEF-HSFUPAIVSA-N 2 0 351.535 3.142 20 0 FGADRP C[C@](O)(C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(Br)cc1F ZINC000818963628 727331442 /nfs/dbraw/zinc/33/14/42/727331442.db2.gz WCMZNTZOPAACSL-CPUCHLNUSA-N 2 0 371.294 3.012 20 0 FGADRP CCC[NH+]1CCC(C[NH2+]C[C@H](O)c2ccc(OC(F)(F)F)cc2)CC1 ZINC000818989630 727335320 /nfs/dbraw/zinc/33/53/20/727335320.db2.gz AWAJVKPRODLOEC-KRWDZBQOSA-N 2 0 360.420 3.330 20 0 FGADRP C[NH+](C)CC1CCC([NH2+]C[C@H](O)c2ccc(Br)cc2)CC1 ZINC000819186518 727355951 /nfs/dbraw/zinc/35/59/51/727355951.db2.gz ZMHFYJNUEXIDEC-IMRCBTMISA-N 2 0 355.320 3.193 20 0 FGADRP C[C@@H]1CC[C@@H]([NH2+]C2CC[NH+](C3CCC3)CC2)CN1C(=O)OC(C)(C)C ZINC000822451635 729176455 /nfs/dbraw/zinc/17/64/55/729176455.db2.gz NMAUHSNACKHSJF-NVXWUHKLSA-N 2 0 351.535 3.381 20 0 FGADRP C[N@H+](CC[C@@H]1CC1(Cl)Cl)C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000822882590 729228179 /nfs/dbraw/zinc/22/81/79/729228179.db2.gz KQTJZSBVYPHDQA-IAGOWNOFSA-N 2 0 357.325 3.139 20 0 FGADRP CCC[N@@H+]1CC[C@H](C[NH2+]C[C@H]2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)C1 ZINC000823699071 729299506 /nfs/dbraw/zinc/29/95/06/729299506.db2.gz ZUDPOVAXFHZTKF-FGTMMUONSA-N 2 0 353.551 3.344 20 0 FGADRP Cc1cc([C@H]([NH3+])CC(=O)NC[C@]2([NH+](C)C)CCC[C@H](C)C2)cc(Cl)n1 ZINC000827528806 729431330 /nfs/dbraw/zinc/43/13/30/729431330.db2.gz ALCOGCOWHNEUNA-CRFBAAHOSA-N 2 0 366.937 3.060 20 0 FGADRP CC[NH+](CC)CC1CC[NH+](C[C@@H]2CN(C3CCCCC3)C(=O)O2)CC1 ZINC000827785342 729434756 /nfs/dbraw/zinc/43/47/56/729434756.db2.gz BKFFHKPEILSBHG-LJQANCHMSA-N 2 0 351.535 3.194 20 0 FGADRP C[C@@H]([NH2+]Cc1cc(Cl)cc(C[NH2+][C@H](C)c2cn[nH]c2)c1)c1cn[nH]c1 ZINC000828858387 729448859 /nfs/dbraw/zinc/44/88/59/729448859.db2.gz XVTJJJMBEMUPLK-CHWSQXEVSA-N 2 0 358.877 3.488 20 0 FGADRP COC(=O)c1ccc(C[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)cc1Cl ZINC000829443858 729480767 /nfs/dbraw/zinc/48/07/67/729480767.db2.gz HOQDQWZHRIDJEO-UHFFFAOYSA-N 2 0 350.890 3.434 20 0 FGADRP C[N@@H+]1CC[C@@H](CNC(=O)CCCCCC[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000831480912 729645270 /nfs/dbraw/zinc/64/52/70/729645270.db2.gz JMBDHADBXTWNDN-HNAYVOBHSA-N 2 0 369.912 3.497 20 0 FGADRP CC[C@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000840810346 730177632 /nfs/dbraw/zinc/17/76/32/730177632.db2.gz RWAWHJQBEIXLAU-SQNIBIBYSA-N 2 0 353.551 3.486 20 0 FGADRP Cc1nn(Cc2ccc(F)cc2)c(Cl)c1CN1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000843058256 730575072 /nfs/dbraw/zinc/57/50/72/730575072.db2.gz QLZSSRFAWUZKJE-DOMZBBRYSA-N 2 0 350.869 3.201 20 0 FGADRP Cc1cc([C@H]([NH3+])CC(=O)NC[C@H](C2CCCCC2)[NH+](C)C)cc(Cl)n1 ZINC000844172476 730690453 /nfs/dbraw/zinc/69/04/53/730690453.db2.gz UXIQJDAYQUOTBR-IAGOWNOFSA-N 2 0 366.937 3.060 20 0 FGADRP [NH3+]CCCCCCC[N@@H+]1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC000844222083 730693539 /nfs/dbraw/zinc/69/35/39/730693539.db2.gz SYLPZHIUZUVEPU-OAHLLOKOSA-N 2 0 352.910 3.295 20 0 FGADRP [NH2+]=C(NC[C@@H]1CCC(F)(F)C1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000849097177 731228661 /nfs/dbraw/zinc/22/86/61/731228661.db2.gz FFGYWFFHDODFKS-MRXNPFEDSA-N 2 0 350.457 3.200 20 0 FGADRP C[C@@]1(CNC(=[NH2+])NCCc2cccs2)CCC[N@@H+]1Cc1ccccc1 ZINC000849098299 731229004 /nfs/dbraw/zinc/22/90/04/731229004.db2.gz WHPVSMMHXFQFJO-FQEVSTJZSA-N 2 0 356.539 3.459 20 0 FGADRP C[C@@H]([NH2+]C[C@]12OCCC[C@H]1C2(F)F)c1cccc(OCC[NH+](C)C)c1 ZINC000850534928 731370620 /nfs/dbraw/zinc/37/06/20/731370620.db2.gz RWGZJLSJAFPAOQ-OLMNPRSZSA-N 2 0 354.441 3.092 20 0 FGADRP CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000853241462 731686619 /nfs/dbraw/zinc/68/66/19/731686619.db2.gz VMURLYDJISTQDW-OKZBNKHCSA-N 2 0 351.535 3.144 20 0 FGADRP C[N@@H+]1CC[C@H]([NH2+][C@@H]2C[C@H](NC(=O)OC(C)(C)C)C23CCC3)CC1(C)C ZINC000858183359 732190390 /nfs/dbraw/zinc/19/03/90/732190390.db2.gz CTHPKMVGLSJHCX-XHSDSOJGSA-N 2 0 351.535 3.285 20 0 FGADRP Cc1c(Cl)cccc1C[NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000865470731 733208020 /nfs/dbraw/zinc/20/80/20/733208020.db2.gz FQLXLJPNINHDJJ-UHFFFAOYSA-N 2 0 359.901 3.230 20 0 FGADRP CCOc1cc(F)cc(C[NH2+]CC2CC[NH+](C3CCOCC3)CC2)c1 ZINC000865620812 733239339 /nfs/dbraw/zinc/23/93/39/733239339.db2.gz QYDJEURDCDEKSU-UHFFFAOYSA-N 2 0 350.478 3.205 20 0 FGADRP CC(C)(C)OC(=O)N[C@@H](C[NH2+]C[C@@H]1CCN1C1CCCC1)CC(F)F ZINC000865643788 733244529 /nfs/dbraw/zinc/24/45/29/733244529.db2.gz RTBRSUULLSMDIM-HIFRSBDPSA-N 2 0 361.477 3.141 20 0 FGADRP C[C@@H]([NH2+]C1CCC(C)([NH+](C)C)CC1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000866516010 733359483 /nfs/dbraw/zinc/35/94/83/733359483.db2.gz LSONMNVPINSMSG-MJJDPTRDSA-N 2 0 356.507 3.143 20 0 FGADRP CCOC(=O)C1([C@@H](C)[NH2+]C[C@@H]2CC=CC[C@H]2C(F)(F)F)CC[NH2+]CC1 ZINC000873251827 735743837 /nfs/dbraw/zinc/74/38/37/735743837.db2.gz LMPOHMNJDMOXHH-QLFBSQMISA-N 2 0 362.436 3.042 20 0 FGADRP CC[C@H]([NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2)c1ccc(OC(F)F)cc1 ZINC000873290205 735747136 /nfs/dbraw/zinc/74/71/36/735747136.db2.gz OVHYBUZZPYRBJX-IRXDYDNUSA-N 2 0 354.441 3.487 20 0 FGADRP C[C@H]([NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2)c1cc(Br)cs1 ZINC000873293821 735747559 /nfs/dbraw/zinc/74/75/59/735747559.db2.gz PPUWRYAMGQXJFX-WCQYABFASA-N 2 0 359.333 3.320 20 0 FGADRP C[NH+](C)CCCC1CCN(C(=O)NC2CCC(C)([NH+](C)C)CC2)CC1 ZINC000876111270 736060372 /nfs/dbraw/zinc/06/03/72/736060372.db2.gz YERXHOOVIWWGHL-UHFFFAOYSA-N 2 0 352.567 3.013 20 0 FGADRP O[C@H]1CCC[C@@H]1[NH+]1CCC([NH2+]Cc2cc3nc(Cl)ccc3s2)CC1 ZINC000877090886 736186818 /nfs/dbraw/zinc/18/68/18/736186818.db2.gz XRBNVLPFTYWOSU-HOTGVXAUSA-N 2 0 365.930 3.417 20 0 FGADRP CC(C)[C@H]([NH2+]C1CC[NH+](CC(C)(C)O)CC1)[C@H](O)c1ccc(Cl)cc1 ZINC000877639905 736698255 /nfs/dbraw/zinc/69/82/55/736698255.db2.gz RPHNASMNJRZHCE-RBUKOAKNSA-N 2 0 368.949 3.223 20 0 FGADRP CC1CC[NH+](C[C@@H]2CCC[N@H+](C[C@H]3CC4(CO3)CCOCC4)C2)CC1 ZINC000878018397 736759068 /nfs/dbraw/zinc/75/90/68/736759068.db2.gz VTKNJJMWHWEAMZ-VQTJNVASSA-N 2 0 350.547 3.016 20 0 FGADRP C([C@@H]1CC2(CO1)CCOCC2)[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000878048586 736763184 /nfs/dbraw/zinc/76/31/84/736763184.db2.gz COKASMNBERZUFO-UXHICEINSA-N 2 0 350.547 3.160 20 0 FGADRP C[N@@H+]1CC[C@@H]2C[NH+](CC[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)CC[C@H]21 ZINC000879582516 737010519 /nfs/dbraw/zinc/01/05/19/737010519.db2.gz SEHYKCSAFYKIID-RCCFBDPRSA-N 2 0 351.535 3.050 20 0 FGADRP CC(C)C[N@H+](CC1CC[NH+](C)CC1)C[C@@H]1CCC2(CCOCC2)CO1 ZINC000879705098 737035799 /nfs/dbraw/zinc/03/57/99/737035799.db2.gz KNQWOESWEUQOJM-FQEVSTJZSA-N 2 0 352.563 3.262 20 0 FGADRP CC(C)(O)[C@@H]1CCC[NH+](CCCCC[N@H+]2CCC[C@@H](C(C)(C)O)C2)C1 ZINC000879962487 737090845 /nfs/dbraw/zinc/09/08/45/737090845.db2.gz OFYVPDXRNQSLEN-RTBURBONSA-N 2 0 354.579 3.123 20 0 FGADRP CCC1(NC(=O)OC(C)(C)C)CC[NH+]([C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000883279928 737545820 /nfs/dbraw/zinc/54/58/20/737545820.db2.gz LDKPUUCITLOQFB-IAGOWNOFSA-N 2 0 351.535 3.383 20 0 FGADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@H+](CCc3ccccc3Br)C2)C1 ZINC000883434751 737566417 /nfs/dbraw/zinc/56/64/17/737566417.db2.gz ZVGGMIIYLCPKDH-LZLYRXPVSA-N 2 0 367.331 3.210 20 0 FGADRP COc1ccc(Cl)cc1NC(=O)CC[N@@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886869540 739312200 /nfs/dbraw/zinc/31/22/00/739312200.db2.gz BMJQQLZCQMODSQ-LJQANCHMSA-N 2 0 365.905 3.143 20 0 FGADRP C[C@@H]1CN(Cc2ccc(C(F)F)c(F)c2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000892153149 739971598 /nfs/dbraw/zinc/97/15/98/739971598.db2.gz MGGXCYOWYYITND-KDOFPFPSSA-N 2 0 355.448 3.221 20 0 FGADRP CC[NH+](CC)Cc1ccc(C[NH2+][C@H]2CCC3(C[C@@H]2F)OCCO3)cc1 ZINC000892460293 740002502 /nfs/dbraw/zinc/00/25/02/740002502.db2.gz MPOGLIITEGADSG-OALUTQOASA-N 2 0 350.478 3.252 20 0 FGADRP F[C@@H]1CC2(CC[C@@H]1[NH2+]CC1CC[NH+](Cc3cccs3)CC1)OCCO2 ZINC000892752378 740040409 /nfs/dbraw/zinc/04/04/09/740040409.db2.gz IHQAIDNEBQVLAV-MSOLQXFVSA-N 2 0 368.518 3.183 20 0 FGADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]([NH+](C)C)C2)C[C@@H]1C(F)(F)F ZINC000893094413 742108853 /nfs/dbraw/zinc/10/88/53/742108853.db2.gz JQTMHSPNFHGMFD-JKJDWNRSSA-N 2 0 364.452 3.359 20 0 FGADRP CN1CC[C@H](C[NH2+]CC2CC[NH+](C)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000893271813 742133385 /nfs/dbraw/zinc/13/33/85/742133385.db2.gz BSOGGDBIMTVTHI-VQIMIIECSA-N 2 0 353.913 3.403 20 0 FGADRP CCN1CC[C@H]([NH2+]CC2CC[NH+](C)CC2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000893499070 742163158 /nfs/dbraw/zinc/16/31/58/742163158.db2.gz QWZBYHPAKVMBON-HKUYNNGSSA-N 2 0 355.448 3.171 20 0 FGADRP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)[C@@H]1CCC2(C[C@H]1F)OCCO2 ZINC000894456174 742285603 /nfs/dbraw/zinc/28/56/03/742285603.db2.gz MLNPMZGTULGUAL-RTBURBONSA-N 2 0 350.478 3.204 20 0 FGADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1cc2ccnc(Cl)c2s1 ZINC000894484122 742289903 /nfs/dbraw/zinc/28/99/03/742289903.db2.gz QDQSBFIVCJKDIO-CYBMUJFWSA-N 2 0 352.935 3.065 20 0 FGADRP CSCC[C@H]([NH3+])Cc1nc(-c2cccc(C[NH+]3CCCCC3)c2)no1 ZINC000899998637 743040832 /nfs/dbraw/zinc/04/08/32/743040832.db2.gz FVWHLMCBCJAZQD-KRWDZBQOSA-N 2 0 360.527 3.345 20 0 FGADRP C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CC[C@H]3CCCC[NH+]32)[C@H]1c1cccs1 ZINC000900829731 743180161 /nfs/dbraw/zinc/18/01/61/743180161.db2.gz XNKVZTWGDCHEMD-VXNCWWDNSA-N 2 0 361.555 3.264 20 0 FGADRP CCc1nc(CN2CCC(C[NH2+][C@H]3CC[NH2+]CC(C)(C)C3)CC2)cs1 ZINC000902349211 743735371 /nfs/dbraw/zinc/73/53/71/743735371.db2.gz XMUWPQMAUNZZBE-KRWDZBQOSA-N 2 0 364.603 3.285 20 0 FGADRP CSC1(C[NH2+][C@@H](C)c2cccc(COC(C)=O)c2)CC[NH+](C)CC1 ZINC000903173308 743816706 /nfs/dbraw/zinc/81/67/06/743816706.db2.gz YLHXTUHJPGSKNM-HNNXBMFYSA-N 2 0 350.528 3.228 20 0 FGADRP Clc1ccccc1OC[C@@H]1CCC[N@H+](C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)C1 ZINC000903757111 743881145 /nfs/dbraw/zinc/88/11/45/743881145.db2.gz XWZDTNMAKURIJS-UWVAXJGDSA-N 2 0 364.917 3.199 20 0 FGADRP [NH3+]CC1(c2ccccc2)CC[NH+](C[C@H]2CCC[C@@H](C(F)(F)F)O2)CC1 ZINC000903790892 743884322 /nfs/dbraw/zinc/88/43/22/743884322.db2.gz FWSGDKVARYJYSX-SJORKVTESA-N 2 0 356.432 3.479 20 0 FGADRP CC(C)c1ccccc1NC(=O)C[C@@H](C)[NH2+]C[C@@H]1C[NH2+]CCC1(F)F ZINC000903955940 743904833 /nfs/dbraw/zinc/90/48/33/743904833.db2.gz CHXOTINUBJMXMY-CABCVRRESA-N 2 0 353.457 3.362 20 0 FGADRP CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@H]([NH2+]C[C@@]3(C)CCC[NH2+]C3)C[C@H]2C1 ZINC000904372089 743949907 /nfs/dbraw/zinc/94/99/07/743949907.db2.gz YIDQXEBIVDIDCJ-LJCCNALRSA-N 2 0 351.535 3.001 20 0 FGADRP [NH3+]C[C@H]1CC2(CO1)CC[NH+](Cc1ccc(OC(F)F)c(Cl)c1)CC2 ZINC000904392052 743951436 /nfs/dbraw/zinc/95/14/36/743951436.db2.gz LZUCZWLSJLEZDZ-CYBMUJFWSA-N 2 0 360.832 3.271 20 0 FGADRP [NH3+]C[C@@H]1CC2(CO1)CC[NH+](Cc1c(Cl)cccc1OC(F)F)CC2 ZINC000904392331 743951579 /nfs/dbraw/zinc/95/15/79/743951579.db2.gz PRACKJOVHNMGQN-LBPRGKRZSA-N 2 0 360.832 3.271 20 0 FGADRP CC[N@H+](CCNC(=O)Nc1ccc(C(C)(C)[NH3+])cc1)CCC(F)(F)F ZINC000904598409 743963781 /nfs/dbraw/zinc/96/37/81/743963781.db2.gz ZQUOZCMLZBMFGU-UHFFFAOYSA-N 2 0 360.424 3.276 20 0 FGADRP C[C@](O)(C[NH2+]C1CC[NH+](C2CCCCC2)CC1)C(F)(F)C(F)(F)F ZINC000905147074 743995936 /nfs/dbraw/zinc/99/59/36/743995936.db2.gz PZIJOXHAODEPOP-AWEZNQCLSA-N 2 0 358.395 3.322 20 0 FGADRP C[NH+](C)Cc1ccc(NC(=S)NC2CC[NH+](C)CC2)cc1C(F)(F)F ZINC000905596380 744035527 /nfs/dbraw/zinc/03/55/27/744035527.db2.gz MCIMTLDBSSHIKX-UHFFFAOYSA-N 2 0 374.476 3.148 20 0 FGADRP CC(C)[C@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1nc(C(C)(C)C)cs1)C2 ZINC000922389308 758910517 /nfs/dbraw/zinc/91/05/17/758910517.db2.gz IPXJNQSUEAXXNG-PHNROFDPSA-N 2 0 351.560 3.010 20 0 FGADRP CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1cscc1Br)C2 ZINC000922390132 758911255 /nfs/dbraw/zinc/91/12/55/758911255.db2.gz KUPAXNISTHIDOP-LVQVYYBASA-N 2 0 373.360 3.080 20 0 FGADRP CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3cnc(C(C)(C)C)s3)C2)[C@@H]1C(C)C ZINC000922391714 758911711 /nfs/dbraw/zinc/91/17/11/758911711.db2.gz GKSNOFGDSQRPMC-WWNBULGVSA-N 2 0 365.587 3.400 20 0 FGADRP CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]Cc3ncc(C(C)C)s3)C2)[C@@H]1C(C)C ZINC000922395656 758914705 /nfs/dbraw/zinc/91/47/05/758914705.db2.gz YBWSTJUWAGNGTP-VVWQDTPRSA-N 2 0 351.560 3.226 20 0 FGADRP FC(F)(F)c1ccn(C2CC[NH+](CCC3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)n1 ZINC000923370748 759107074 /nfs/dbraw/zinc/10/70/74/759107074.db2.gz JSYTVHVSEDLAFH-GOOCMWNKSA-N 2 0 356.436 3.460 20 0 FGADRP Cc1nc(C[NH+]2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)sc1C(C)(C)C ZINC000923380497 759108059 /nfs/dbraw/zinc/10/80/59/759108059.db2.gz XCAKIZZFNGIUTR-HOTGVXAUSA-N 2 0 351.560 3.467 20 0 FGADRP C[C@@H]1C[N@H+](CC(=O)Nc2ccc(Cl)cc2C(F)(F)F)CC[C@H]1C[NH3+] ZINC000923506432 759135325 /nfs/dbraw/zinc/13/53/25/759135325.db2.gz FMVLGJWSQDBIGT-MNOVXSKESA-N 2 0 363.811 3.214 20 0 FGADRP C[C@@H](NC1CC[NH+](C[C@@H]2CCCO2)CC1)c1cccc(Br)n1 ZINC000925057944 759439400 /nfs/dbraw/zinc/43/94/00/759439400.db2.gz VXXVQXQUPJRTFS-HIFRSBDPSA-N 2 0 368.319 3.138 20 0 FGADRP C[NH+]1CCC(O)(C[NH2+][C@H](Cc2ccc(F)cc2Cl)c2ccoc2)CC1 ZINC000925119157 759450085 /nfs/dbraw/zinc/45/00/85/759450085.db2.gz WJGGWIKJDUDQSP-GOSISDBHSA-N 2 0 366.864 3.402 20 0 FGADRP C[C@H]1[C@H](N2CCc3sc(C[NH3+])nc3C2)CCC[N@@H+]1Cc1ccccc1 ZINC000925750889 759532102 /nfs/dbraw/zinc/53/21/02/759532102.db2.gz VZJSFCSZLHRFKO-MAUKXSAKSA-N 2 0 356.539 3.013 20 0 FGADRP Cc1nc(-c2cc([C@@H](C)[NH2+]CCN3CCC([NH3+])CC3)cs2)cs1 ZINC000925808650 759547008 /nfs/dbraw/zinc/54/70/08/759547008.db2.gz CBXMBRPLFPXIJV-GFCCVEGCSA-N 2 0 350.557 3.254 20 0 FGADRP Cc1nc(Cc2ccccc2)sc1[C@H](C)[NH2+]CCN1CCC([NH3+])CC1 ZINC000925812205 759549179 /nfs/dbraw/zinc/54/91/79/759549179.db2.gz VPSUPTOXOBZRDA-HNNXBMFYSA-N 2 0 358.555 3.116 20 0 FGADRP C[C@H]1C[C@@H]([NH2+]CCN2CCC([NH3+])CC2)c2cccc(Br)c21 ZINC000925812187 759549509 /nfs/dbraw/zinc/54/95/09/759549509.db2.gz VJUPZGUJZGMHJI-BLLLJJGKSA-N 2 0 352.320 3.010 20 0 FGADRP Cc1c(Br)cccc1CC[NH2+][C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC000925831319 759554241 /nfs/dbraw/zinc/55/42/41/759554241.db2.gz DEGRJLMUSPNYLG-CGTJXYLNSA-N 2 0 367.331 3.047 20 0 FGADRP Cc1cc2c(cc1C)[C@H]([NH2+]C[C@H]1CC3(CC[NH2+]CC3)C(=O)O1)CCS2 ZINC000925848691 759557379 /nfs/dbraw/zinc/55/73/79/759557379.db2.gz CZFJCBOSCDWEKS-NVXWUHKLSA-N 2 0 360.523 3.115 20 0 FGADRP CC[C@H]([NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1cccc(Cl)c1F ZINC000925855487 759560611 /nfs/dbraw/zinc/56/06/11/759560611.db2.gz KRHCZTPIJRYDDG-DOMZBBRYSA-N 2 0 354.853 3.205 20 0 FGADRP CCOc1ccc(Cl)cc1[C@H](C)[NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925857332 759561614 /nfs/dbraw/zinc/56/16/14/759561614.db2.gz ZKZDHLPNXGRTHR-ZFWWWQNUSA-N 2 0 366.889 3.075 20 0 FGADRP CC(C)[C@H](CSc1ccccc1)[NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925860017 759562906 /nfs/dbraw/zinc/56/29/06/759562906.db2.gz YSJKFJQDSCVJFA-AEFFLSMTSA-N 2 0 362.539 3.078 20 0 FGADRP CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@@H]1CCC[N@H+](Cc2ccsc2)CC1 ZINC000998013176 765091588 /nfs/dbraw/zinc/09/15/88/765091588.db2.gz PSQAHBULGFWSLI-BHIYHBOVSA-N 2 0 363.571 3.291 20 0 FGADRP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCC[NH+](Cc3csc(C)c3)C2)CC[N@@H+]1C ZINC001023381589 766036254 /nfs/dbraw/zinc/03/62/54/766036254.db2.gz QKAYPUCTKFZJQJ-NZSAHSFTSA-N 2 0 363.571 3.115 20 0 FGADRP CC[C@@H]1[C@@H](C(=O)N(CC)[C@H]2CC[NH+](Cc3csc(C)c3)C2)CC[N@@H+]1C ZINC001033837312 766223208 /nfs/dbraw/zinc/22/32/08/766223208.db2.gz HBWYSBZRIRJPOC-GBESFXJTSA-N 2 0 363.571 3.210 20 0 FGADRP CC[C@@H]1[C@@H](C(=O)N2CCC([C@@H]3CC[NH+](C/C=C\Cl)C3)CC2)CC[N@@H+]1C ZINC001039133479 766292256 /nfs/dbraw/zinc/29/22/56/766292256.db2.gz SZBCUKCRMWYARK-IDQAAPELSA-N 2 0 367.965 3.030 20 0 FGADRP COc1ccc2c(c1)C[C@H]([NH2+]C1CCN([C@H](C)c3ccncc3)CC1)CO2 ZINC000297144810 257383059 /nfs/dbraw/zinc/38/30/59/257383059.db2.gz ZQSZDECXWVNLPE-UZLBHIALSA-N 2 0 367.493 3.209 20 0 FGADRP CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]C3CC[NH+]([C@@H]4CCCC[C@@H]4C)CC3)[C@@H]2C1 ZINC000573599766 505575423 /nfs/dbraw/zinc/57/54/23/505575423.db2.gz JIIGZWFRFDPUSV-OAVQTBGQSA-N 2 0 361.574 3.266 20 0 FGADRP C[C@H](c1ccc(Br)cc1)N1CC[NH+](CC[C@@H]2CC[NH2+]C2)CC1 ZINC000579597907 505583410 /nfs/dbraw/zinc/58/34/10/505583410.db2.gz JONRCLCIQZCBFG-CVEARBPZSA-N 2 0 366.347 3.127 20 0 FGADRP O=C(c1ccccc1CC1CC[NH2+]CC1)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000567982736 505590194 /nfs/dbraw/zinc/59/01/94/505590194.db2.gz MMOZMDPVYOFBBH-HXUWFJFHSA-N 2 0 369.553 3.177 20 0 FGADRP COc1ccc(C[NH2+]Cc2ccc(OCC[NH+](C)C)cc2)c(C)c1OC ZINC000579637867 505591963 /nfs/dbraw/zinc/59/19/63/505591963.db2.gz UKDBERISMJNGCC-UHFFFAOYSA-N 2 0 358.482 3.242 20 0 FGADRP CCC[N@H+](CC)C[C@@H](C)NC(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000579659278 505595561 /nfs/dbraw/zinc/59/55/61/505595561.db2.gz WSRVDUOBBHCTGL-MSOLQXFVSA-N 2 0 364.534 3.226 20 0 FGADRP O=C(C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1)N[C@H](c1ccccc1)C1CCCC1 ZINC000570964360 505621874 /nfs/dbraw/zinc/62/18/74/505621874.db2.gz PXHCGIRJKRVSFQ-QNWVGRARSA-N 2 0 369.553 3.356 20 0 FGADRP C[NH+](C)[C@H]1CCc2cc(NC(=O)N[C@@H]3C[NH2+]C[C@H]3c3ccccc3)ccc21 ZINC000579810371 505626381 /nfs/dbraw/zinc/62/63/81/505626381.db2.gz DRIIGVQRSSIKCH-HBMCJLEFSA-N 2 0 364.493 3.113 20 0 FGADRP COC1(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)CCCC1 ZINC000571064527 505645389 /nfs/dbraw/zinc/64/53/89/505645389.db2.gz AFGMJBXDAIUWFR-NRFANRHFSA-N 2 0 372.553 3.464 20 0 FGADRP CC1CC[NH+](CCCC[NH2+]C[C@@H](O)COc2ccc(Cl)cc2)CC1 ZINC000579943253 505650779 /nfs/dbraw/zinc/65/07/79/505650779.db2.gz HHVVWGPVQPILQN-GOSISDBHSA-N 2 0 354.922 3.181 20 0 FGADRP CCc1ccc(C[NH+]2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)cc1 ZINC000580011671 505661266 /nfs/dbraw/zinc/66/12/66/505661266.db2.gz OCQCKFKFHKURLS-UHFFFAOYSA-N 2 0 357.542 3.063 20 0 FGADRP C[C@@H]([NH2+][C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)[C@@H](C)c1ccc(Cl)cc1 ZINC000571157616 505667237 /nfs/dbraw/zinc/66/72/37/505667237.db2.gz RMZWYOJGMPGMLS-JSOPPFHZSA-N 2 0 363.933 3.068 20 0 FGADRP C[C@H](NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1ccc(F)c2ccccc21 ZINC000571193840 505676085 /nfs/dbraw/zinc/67/60/85/505676085.db2.gz WTOSDDSYVXPHLW-INIZCTEOSA-N 2 0 374.504 3.175 20 0 FGADRP Cc1cc(F)c(CN2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)c(Cl)c1 ZINC000574045181 505680832 /nfs/dbraw/zinc/68/08/32/505680832.db2.gz VVTWMNBWZYBRMY-INIZCTEOSA-N 2 0 353.913 3.388 20 0 FGADRP C[C@H](CC(=O)N[C@@H]1CCN(C)[C@@H]1c1ccc(Cl)cc1)[C@H]1CCC[NH2+]C1 ZINC000568388229 505682558 /nfs/dbraw/zinc/68/25/58/505682558.db2.gz LAWDBCSEIKTEET-IHMNZUQTSA-N 2 0 363.933 3.227 20 0 FGADRP Cc1ccc(OC[C@H](O)C[N@@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)cc1 ZINC000076110221 493824401 /nfs/dbraw/zinc/82/44/01/493824401.db2.gz UFONDRQFNPFCHN-FCHUYYIVSA-N 2 0 368.521 3.189 20 0 FGADRP O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000068556687 493840947 /nfs/dbraw/zinc/84/09/47/493840947.db2.gz GVUBJOFJVAPLSG-RTBURBONSA-N 2 0 374.529 3.076 20 0 FGADRP COc1cc(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)ccc1OCc1ccncc1 ZINC000030906894 493912682 /nfs/dbraw/zinc/91/26/82/493912682.db2.gz KHJVAMDIPMASGZ-IBGZPJMESA-N 2 0 367.493 3.243 20 0 FGADRP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc(OC)c(OCc3cccnc3)c2)C1 ZINC000069160236 493929559 /nfs/dbraw/zinc/92/95/59/493929559.db2.gz FXJLOHOAGNWPQS-IBGZPJMESA-N 2 0 369.509 3.491 20 0 FGADRP C[N@H+](CC1CC1)C[C@H]1CC[NH+](CCC(=O)NCc2ccccc2Cl)C1 ZINC000081635261 493934870 /nfs/dbraw/zinc/93/48/70/493934870.db2.gz LIJIHOPXCQZRDZ-QGZVFWFLSA-N 2 0 363.933 3.010 20 0 FGADRP C[NH+](C)CCNC(=O)c1ccc(C[NH2+]Cc2csc3ccccc23)cc1 ZINC000076893878 493985220 /nfs/dbraw/zinc/98/52/20/493985220.db2.gz CKNPZFKLZVFZTE-UHFFFAOYSA-N 2 0 367.518 3.483 20 0 FGADRP C[NH+](C)CCOc1ccc(C[NH2+]C[C@H](c2ccco2)N2CCCC2)cc1 ZINC000069645228 493991299 /nfs/dbraw/zinc/99/12/99/493991299.db2.gz IVBQPEUDADDIDN-HXUWFJFHSA-N 2 0 357.498 3.147 20 0 FGADRP CC[N@H+](C)Cc1cccc(CNC(=O)NCc2cccc(C[NH+](C)C)c2)c1 ZINC000061864882 493996851 /nfs/dbraw/zinc/99/68/51/493996851.db2.gz ODRKXBYWUNUFJE-UHFFFAOYSA-N 2 0 368.525 3.199 20 0 FGADRP CC[N@H+](C)Cc1cccc(CNC(=O)NCCCC[NH+]2CCC[C@@H](C)C2)c1 ZINC000061864523 493996909 /nfs/dbraw/zinc/99/69/09/493996909.db2.gz LTYZIIBTDUYFSP-LJQANCHMSA-N 2 0 374.573 3.450 20 0 FGADRP CC[NH+](CC)CCOc1ccc(C[NH2+]Cc2c(C)nn(C)c2C)cc1OC ZINC000069750074 494006658 /nfs/dbraw/zinc/00/66/58/494006658.db2.gz PDORSCRNHWYOSH-UHFFFAOYSA-N 2 0 374.529 3.056 20 0 FGADRP CC(C)[NH2+]CCCNC(=O)NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000580173299 505695767 /nfs/dbraw/zinc/69/57/67/505695767.db2.gz XQFHRYICSVVKQC-SFHVURJKSA-N 2 0 360.546 3.106 20 0 FGADRP Cc1ncc(C[NH2+]CCCC[NH+]2C[C@H](C)O[C@@H](C)C2)n1-c1ccccc1 ZINC000084018241 494043543 /nfs/dbraw/zinc/04/35/43/494043543.db2.gz PMNHCRPJSQSLNW-ROUUACIJSA-N 2 0 356.514 3.160 20 0 FGADRP C[C@H](CNC(=O)NC1CC[NH+](CC2CCCC2)CC1)C[NH+]1CCCCC1 ZINC000063407559 494051684 /nfs/dbraw/zinc/05/16/84/494051684.db2.gz JDUDLGRCFQHMMF-GOSISDBHSA-N 2 0 364.578 3.062 20 0 FGADRP CC(C)[NH+](CCNC(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)C(C)C ZINC000063464518 494057251 /nfs/dbraw/zinc/05/72/51/494057251.db2.gz LAFUNDLEVKDGJO-NRFANRHFSA-N 2 0 374.573 3.317 20 0 FGADRP C[C@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)c1ccc(I)cc1 ZINC000037648835 494108066 /nfs/dbraw/zinc/10/80/66/494108066.db2.gz DXOQNZZFPJXIBM-QWHCGFSZSA-N 2 0 370.278 3.426 20 0 FGADRP CC1CC[NH+](CCCCNC(=O)NCCC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000071923567 494108380 /nfs/dbraw/zinc/10/83/80/494108380.db2.gz ICFOGGIBCRVDGX-IBGZPJMESA-N 2 0 352.567 3.062 20 0 FGADRP C[C@@H](C1CC1)[N@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)Cc1ccccc1 ZINC000064508647 494129492 /nfs/dbraw/zinc/12/94/92/494129492.db2.gz PJMFNNMIGFMVJY-KRWDZBQOSA-N 2 0 355.526 3.030 20 0 FGADRP C[NH+](C)C1(CNC(=O)NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CCCC1 ZINC000065518595 494207364 /nfs/dbraw/zinc/20/73/64/494207364.db2.gz DENXUZULTMDHOE-FQEVSTJZSA-N 2 0 372.557 3.072 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)NCc2cccc(C[NH+](C)C)c2)C1 ZINC000065527099 494210157 /nfs/dbraw/zinc/21/01/57/494210157.db2.gz RHNLZAHSSMQZPA-HDICACEKSA-N 2 0 374.573 3.304 20 0 FGADRP Cc1ccccc1NC(=O)CC[NH+]1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000072600167 494214416 /nfs/dbraw/zinc/21/44/16/494214416.db2.gz GWDQREPAGCUQIF-OALUTQOASA-N 2 0 373.541 3.145 20 0 FGADRP CCC[N@@H+]1CC[C@H](CNC(=O)NC[C@@H](c2ccccc2)[NH+](CC)CC)C1 ZINC000054510332 494242078 /nfs/dbraw/zinc/24/20/78/494242078.db2.gz DNMFMDXAQGJNJU-QUCCMNQESA-N 2 0 360.546 3.101 20 0 FGADRP CCC[N@@H+]1CC[C@@H](CNC(=O)NCc2ccc(C[NH+](CC)CC)cc2)C1 ZINC000054509963 494242438 /nfs/dbraw/zinc/24/24/38/494242438.db2.gz CWNBKQODBPNXTD-FQEVSTJZSA-N 2 0 360.546 3.060 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)NCC[NH+](C)Cc1ccccc1 ZINC000054763871 494267970 /nfs/dbraw/zinc/26/79/70/494267970.db2.gz KSOWHIICGZQBJE-LJQANCHMSA-N 2 0 360.546 3.072 20 0 FGADRP CC[N@H+](C)C[C@H]1CC[NH+](CCC(=O)Nc2ccc(Br)cc2)C1 ZINC000072859346 494268854 /nfs/dbraw/zinc/26/88/54/494268854.db2.gz AIGYMGCDZBUZEN-CQSZACIVSA-N 2 0 368.319 3.051 20 0 FGADRP Cc1c[nH+]ccc1N1CCC(C(=O)NC[C@H](c2ccsc2)[NH+](C)C)CC1 ZINC000072883816 494275208 /nfs/dbraw/zinc/27/52/08/494275208.db2.gz ZQSCYBHOHRMXHT-LJQANCHMSA-N 2 0 372.538 3.087 20 0 FGADRP Cc1ccccc1C[NH+]1CCC(NC(=O)NC2CC[NH+](C(C)C)CC2)CC1 ZINC000043179166 494275361 /nfs/dbraw/zinc/27/53/61/494275361.db2.gz PVGQYHNMOKCTHO-UHFFFAOYSA-N 2 0 372.557 3.131 20 0 FGADRP C[C@@H](CC(=O)Nc1cccnc1Cl)[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000089513006 494319352 /nfs/dbraw/zinc/31/93/52/494319352.db2.gz TYQFISMCILSDRR-ZDUSSCGKSA-N 2 0 352.910 3.305 20 0 FGADRP C[C@@H]1C[C@H]([NH2+]CCC(=O)Nc2cccc(C(F)(F)F)c2)CN1C1CC1 ZINC000574191999 505716275 /nfs/dbraw/zinc/71/62/75/505716275.db2.gz QMRNLUOWMZVHCG-DOMZBBRYSA-N 2 0 355.404 3.249 20 0 FGADRP CC[NH+]1CCC(CCNC(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000073724189 494419150 /nfs/dbraw/zinc/41/91/50/494419150.db2.gz OYTDKOGARWWMNC-OAQYLSRUSA-N 2 0 372.557 3.072 20 0 FGADRP CC(C)CN(CC[NH+](C)C)C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000079224106 494422601 /nfs/dbraw/zinc/42/26/01/494422601.db2.gz JIZRCSYUYAMRIY-QGZVFWFLSA-N 2 0 366.575 3.114 20 0 FGADRP Cc1ccc(CC[C@H](C)[NH2+]Cc2ccc(C(=O)NCC[NH+](C)C)cc2)cc1 ZINC000090038851 494432118 /nfs/dbraw/zinc/43/21/18/494432118.db2.gz JUFLCFHXZQSSOT-IBGZPJMESA-N 2 0 367.537 3.397 20 0 FGADRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCOc1ncc(C(F)(F)F)cc1Cl ZINC000090082449 494438729 /nfs/dbraw/zinc/43/87/29/494438729.db2.gz OCLJWGWWIXYNAJ-GWCFXTLKSA-N 2 0 351.800 3.062 20 0 FGADRP CSC1(C[NH2+][C@@H](C)c2ccc(OCC[NH+](C)C)cc2)CCOCC1 ZINC000090112931 494444474 /nfs/dbraw/zinc/44/44/74/494444474.db2.gz XZKAMJJAQFOTRM-INIZCTEOSA-N 2 0 352.544 3.190 20 0 FGADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)NCc2cccc(C[NH+](C)C)c2)C1 ZINC000079393781 494446322 /nfs/dbraw/zinc/44/63/22/494446322.db2.gz DTLYKSXBBBWYBO-GOSISDBHSA-N 2 0 360.546 3.060 20 0 FGADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NC1CC[NH+](CC(C)C)CC1 ZINC000067061850 494466484 /nfs/dbraw/zinc/46/64/84/494466484.db2.gz WVCGHROHLQWKOS-UHFFFAOYSA-N 2 0 374.573 3.400 20 0 FGADRP C[C@@H]([NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1)[C@H](O)Cc1ccccc1 ZINC000090655117 494490654 /nfs/dbraw/zinc/49/06/54/494490654.db2.gz ZKKYRHNSNOSYTR-NJNPRVFISA-N 2 0 356.510 3.270 20 0 FGADRP CC[NH+]1CCN(c2ccc(NC(=O)[C@H](C)[NH+]3CCCCCC3)c(C)c2)CC1 ZINC000074170165 494492949 /nfs/dbraw/zinc/49/29/49/494492949.db2.gz WSBUTGHTZINXSG-IBGZPJMESA-N 2 0 372.557 3.340 20 0 FGADRP CN1CC[NH+](CCCC[NH2+][C@H]2CCc3c2cccc3Br)CC1 ZINC000091285146 494578422 /nfs/dbraw/zinc/57/84/22/494578422.db2.gz XMSZAVPWRWCOIS-SFHVURJKSA-N 2 0 366.347 3.054 20 0 FGADRP CCC[NH+]1CCC(NC(=O)c2ccc(OCC[NH+](CC)CC)cc2)CC1 ZINC000115668137 494589690 /nfs/dbraw/zinc/58/96/90/494589690.db2.gz CKPBKVWEUPGXNU-UHFFFAOYSA-N 2 0 361.530 3.011 20 0 FGADRP C[NH+](C)[C@@H](CNC(=O)NCCC[NH2+]C1CCCCC1)c1ccc(F)cc1 ZINC000056950375 494601752 /nfs/dbraw/zinc/60/17/52/494601752.db2.gz LRJNYHZQMSPPLU-IBGZPJMESA-N 2 0 364.509 3.040 20 0 FGADRP C[C@H]1C[C@@H](NC(=O)NCC[NH+](C)C2CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000080118274 494601974 /nfs/dbraw/zinc/60/19/74/494601974.db2.gz CTSOUIGJWGURKP-ICSRJNTNSA-N 2 0 372.557 3.213 20 0 FGADRP C[C@@H]1C[C@H](NC(=O)NCC[NH+](C)C2CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000080118251 494602087 /nfs/dbraw/zinc/60/20/87/494602087.db2.gz CTSOUIGJWGURKP-UYAOXDASSA-N 2 0 372.557 3.213 20 0 FGADRP C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)NCC(C)(C)[NH+]2CCCCC2)C1 ZINC000107834881 494609195 /nfs/dbraw/zinc/60/91/95/494609195.db2.gz DEEHVTOWZQGIGA-OALUTQOASA-N 2 0 366.594 3.308 20 0 FGADRP CN(C)c1cccc(C[NH2+]Cc2c(Cl)cccc2N2CC[NH+](C)CC2)c1 ZINC000092389093 494612141 /nfs/dbraw/zinc/61/21/41/494612141.db2.gz JSJYRAYBDQGHPM-UHFFFAOYSA-N 2 0 372.944 3.448 20 0 FGADRP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)c1ccc(Br)c(F)c1 ZINC000131501917 494639569 /nfs/dbraw/zinc/63/95/69/494639569.db2.gz ARFBRROFUNSGMC-DZGCQCFKSA-N 2 0 373.310 3.476 20 0 FGADRP COc1cc(C[NH+]2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)ccc1OC(F)F ZINC000574258785 505732894 /nfs/dbraw/zinc/73/28/94/505732894.db2.gz NSQATZRXBWDBBU-YJBOKZPZSA-N 2 0 370.440 3.015 20 0 FGADRP C[C@@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]CC1CC[NH+](C)CC1 ZINC000126332025 494714760 /nfs/dbraw/zinc/71/47/60/494714760.db2.gz WFZWETZMKAKRFW-HNNXBMFYSA-N 2 0 351.922 3.008 20 0 FGADRP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cn(C3CCCC3)nc2-c2ccccn2)C1 ZINC000574284962 505738807 /nfs/dbraw/zinc/73/88/07/505738807.db2.gz PTZRSDJZVLBCKN-KRWDZBQOSA-N 2 0 353.514 3.492 20 0 FGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCc1ccccc1C[NH+]1CCC[C@H](C)C1 ZINC000116431708 494785280 /nfs/dbraw/zinc/78/52/80/494785280.db2.gz VNQWODYAWSZSLC-GHTZIAJQSA-N 2 0 357.542 3.409 20 0 FGADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000047883935 494787723 /nfs/dbraw/zinc/78/77/23/494787723.db2.gz JCHQMKHLYFGGQM-UHFFFAOYSA-N 2 0 360.546 3.199 20 0 FGADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H]2CCCOc3cc4c(cc32)CCCC4)CC1 ZINC000126552395 494787640 /nfs/dbraw/zinc/78/76/40/494787640.db2.gz FIWILAIFQWWTLH-XMSQKQJNSA-N 2 0 371.569 3.395 20 0 FGADRP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)NC2CC[NH+](C)CC2)C1 ZINC000047885566 494788535 /nfs/dbraw/zinc/78/85/35/494788535.db2.gz ACFRSORLNYBEON-QZTJIDSGSA-N 2 0 372.557 3.058 20 0 FGADRP CC(C)(CNC(=O)NCc1ccccc1C[NH+]1CCCC1)[NH+]1CCCCC1 ZINC000047910424 494791654 /nfs/dbraw/zinc/79/16/54/494791654.db2.gz IDSVICKRZDDCJE-UHFFFAOYSA-N 2 0 372.557 3.346 20 0 FGADRP C[C@H](CNC(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1)C[NH+]1CCCC1 ZINC000116533742 494809750 /nfs/dbraw/zinc/80/97/50/494809750.db2.gz ISOUQBWDUXSMDJ-RTBURBONSA-N 2 0 372.557 3.243 20 0 FGADRP C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000126774734 494835488 /nfs/dbraw/zinc/83/54/88/494835488.db2.gz AVSFPUCKDCXVGA-UHFFFAOYSA-N 2 0 372.488 3.483 20 0 FGADRP C[C@H]([NH2+][C@H]1CCCc2c1cnn2C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000126770491 494835712 /nfs/dbraw/zinc/83/57/12/494835712.db2.gz IEIMIBGAUJOTRR-KXBFYZLASA-N 2 0 371.504 3.039 20 0 FGADRP C[C@H]([NH2+][C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1)c1cccc(CO)c1 ZINC000121699294 494841313 /nfs/dbraw/zinc/84/13/13/494841313.db2.gz SACSNVLXUDUYSK-IRXDYDNUSA-N 2 0 371.500 3.482 20 0 FGADRP C[C@@H](C(=O)NCc1cccs1)[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000121730176 494847499 /nfs/dbraw/zinc/84/74/99/494847499.db2.gz ZSWJCXOZAVHXHS-KRWDZBQOSA-N 2 0 363.571 3.341 20 0 FGADRP Cc1cc2ncc([C@@H](C)[NH2+]Cc3ccccc3OCC[NH+](C)C)c(C)n2n1 ZINC000093403371 494887015 /nfs/dbraw/zinc/88/70/15/494887015.db2.gz LEROKHRPKJXHIS-MRXNPFEDSA-N 2 0 367.497 3.137 20 0 FGADRP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(OCc3noc(C)n3)cc2)[C@H](C)C1 ZINC000093639586 494906377 /nfs/dbraw/zinc/90/63/77/494906377.db2.gz FIVBXEXYYUPLFO-DNVCBOLYSA-N 2 0 358.486 3.119 20 0 FGADRP C[C@H]1C[NH+](CCC2CC[NH+](Cc3cccc4c[nH]nc43)CC2)C[C@H](C)O1 ZINC000093844287 494927431 /nfs/dbraw/zinc/92/74/31/494927431.db2.gz YYHDVHVXVGHFOZ-IRXDYDNUSA-N 2 0 356.514 3.274 20 0 FGADRP C[NH+]1CCC(CNC(=O)Nc2ccc(OCC[NH+]3CCCCC3)cc2)CC1 ZINC000127350931 494932187 /nfs/dbraw/zinc/93/21/87/494932187.db2.gz AVYVLMUFLLZOIH-UHFFFAOYSA-N 2 0 374.529 3.015 20 0 FGADRP O=C(c1cccc(C[NH+]2CCCC2)c1)N1CCC([NH2+]C2CCCC2)CC1 ZINC000109925259 494933187 /nfs/dbraw/zinc/93/31/87/494933187.db2.gz UAYDQOLMMDCCTG-UHFFFAOYSA-N 2 0 355.526 3.419 20 0 FGADRP CCN(Cc1cc(C(=O)OC)n(C)c1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000568681399 505751266 /nfs/dbraw/zinc/75/12/66/505751266.db2.gz IIPZJBWNEFSVTD-LJQANCHMSA-N 2 0 369.509 3.156 20 0 FGADRP Cc1nc(Cc2ccccc2)sc1[C@H](C)[NH2+]C[C@@H](C)N1CC[NH+](C)CC1 ZINC000127611615 494969948 /nfs/dbraw/zinc/96/99/48/494969948.db2.gz UCWLSLNKRBNZEV-SJORKVTESA-N 2 0 372.582 3.329 20 0 FGADRP CC[NH+](CC)CCOc1ccc(NC(=O)N2CC[C@H]([NH+]3CCCC3)C2)cc1 ZINC000118546082 495008267 /nfs/dbraw/zinc/00/82/67/495008267.db2.gz MOWOIHYSBCNKSP-IBGZPJMESA-N 2 0 374.529 3.109 20 0 FGADRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCc2ccc(C[NH+](C)C)cc2)C1 ZINC000097257249 495029450 /nfs/dbraw/zinc/02/94/50/495029450.db2.gz YTAXEYMVUVRPSU-QGZVFWFLSA-N 2 0 360.546 3.058 20 0 FGADRP CC[NH+]1CCN(CCC(=O)Nc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)CC1 ZINC000101644727 495088800 /nfs/dbraw/zinc/08/88/00/495088800.db2.gz FTLRZXILDGHBBQ-LJQANCHMSA-N 2 0 372.557 3.027 20 0 FGADRP COc1cccc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)c1OC(C)C ZINC000134117127 495108708 /nfs/dbraw/zinc/10/87/08/495108708.db2.gz QHXIENSNULZTDV-UHFFFAOYSA-N 2 0 362.514 3.027 20 0 FGADRP CCc1ccc([C@H](CNC(=O)N2CCC([NH2+]C(C)C)CC2)[NH+](C)C)cc1 ZINC000111800819 495112414 /nfs/dbraw/zinc/11/24/14/495112414.db2.gz XXZMTJDEOUVCPL-FQEVSTJZSA-N 2 0 360.546 3.024 20 0 FGADRP CCC[NH+]1CCC(CNC(=O)NC[C@@H](c2ccco2)[NH+](CC)CC)CC1 ZINC000102006238 495114723 /nfs/dbraw/zinc/11/47/23/495114723.db2.gz DYYPPSUVJQCDFK-SFHVURJKSA-N 2 0 364.534 3.084 20 0 FGADRP C[C@H]([NH2+]CCCN1CCC[N@H+](C)CC1)c1nc(-c2ccccc2)cs1 ZINC000128617073 495125107 /nfs/dbraw/zinc/12/51/07/495125107.db2.gz BYRVFOUAKWEHJX-KRWDZBQOSA-N 2 0 358.555 3.488 20 0 FGADRP C[C@H]([NH3+])c1ccc(CNC(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)cc1 ZINC000577605837 505762777 /nfs/dbraw/zinc/76/27/77/505762777.db2.gz XEPJFWLRGRINST-JXFKEZNVSA-N 2 0 358.530 3.303 20 0 FGADRP C[C@H]([NH2+]CCCN1CCC[N@H+](C)CC1)c1ccc(OC(F)(F)F)cc1 ZINC000128668509 495132593 /nfs/dbraw/zinc/13/25/93/495132593.db2.gz MZWJIYKKWFXIRS-HNNXBMFYSA-N 2 0 359.436 3.263 20 0 FGADRP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000128720522 495140737 /nfs/dbraw/zinc/14/07/37/495140737.db2.gz IHUJFCVUXYSMFV-SFHVURJKSA-N 2 0 360.546 3.202 20 0 FGADRP C[C@@H](CNC(=O)[C@H](C)[NH+]1CCC(CCC[NH+](C)C)CC1)c1ccccc1 ZINC000123547872 495150011 /nfs/dbraw/zinc/15/00/11/495150011.db2.gz YFLAHJTUXXJIDK-OALUTQOASA-N 2 0 359.558 3.349 20 0 FGADRP C[NH+](C)CCCC1CC[NH+](CC(=O)NCCc2ccc(Cl)cc2)CC1 ZINC000123605169 495159306 /nfs/dbraw/zinc/15/93/06/495159306.db2.gz KCOABLRCWRSWKG-UHFFFAOYSA-N 2 0 365.949 3.053 20 0 FGADRP CC1CC[NH+](C2CCC(NC(=O)CN(C)Cc3ccccc3)CC2)CC1 ZINC000128861508 495160622 /nfs/dbraw/zinc/16/06/22/495160622.db2.gz SQRRANFNIYOJMQ-UHFFFAOYSA-N 2 0 357.542 3.278 20 0 FGADRP Cc1cc(C)c(C[NH2+]Cc2ccc(C(=O)NCC[NH+](C)C)cc2)cc1C ZINC000123874277 495200230 /nfs/dbraw/zinc/20/02/30/495200230.db2.gz NPJYEYRXPCMBIT-UHFFFAOYSA-N 2 0 353.510 3.193 20 0 FGADRP CC[NH+]1CCN(c2ccc(C[NH2+][C@H]3CCCc4ccccc43)cn2)CC1 ZINC000112529200 495201380 /nfs/dbraw/zinc/20/13/80/495201380.db2.gz YHEBJKPBLXNSCG-NRFANRHFSA-N 2 0 350.510 3.391 20 0 FGADRP C[C@@H](C(=O)N1CCCCC1)[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000103228033 495205703 /nfs/dbraw/zinc/20/57/03/495205703.db2.gz WAZMJIRBSSOQIG-IBGZPJMESA-N 2 0 357.542 3.231 20 0 FGADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@H](c1ccc(Cl)cc1)N1CCOCC1 ZINC000119794251 495242297 /nfs/dbraw/zinc/24/22/97/495242297.db2.gz ZUJGPKCGSQKYOT-YKCBXCCJSA-N 2 0 365.949 3.032 20 0 FGADRP CC(C)[C@@H](C[NH2+]Cc1ccc(F)cc1C(F)(F)F)N1CC[NH+](C)CC1 ZINC000129441382 495245769 /nfs/dbraw/zinc/24/57/69/495245769.db2.gz YINJCRJLXVVJRD-QGZVFWFLSA-N 2 0 361.427 3.206 20 0 FGADRP C[NH+](C)CC[C@H](NC(=O)NCc1ccc(C[NH+](C)C)c(F)c1)C(C)(C)C ZINC000135439434 495292993 /nfs/dbraw/zinc/29/29/93/495292993.db2.gz OYEFALVHVARLJV-SFHVURJKSA-N 2 0 366.525 3.053 20 0 FGADRP COc1ccc(Cl)cc1[C@@H](C)[NH2+]CC1CC[NH+](CCN(C)C)CC1 ZINC000124511466 495299843 /nfs/dbraw/zinc/29/98/43/495299843.db2.gz ZQDHCYLSDOFZKP-OAHLLOKOSA-N 2 0 353.938 3.273 20 0 FGADRP C[C@H]([NH2+]C1(CNC(=O)NC[C@@H]2CCC[N@H+](C)C2)CCCC1)c1ccccc1 ZINC000113619656 495322136 /nfs/dbraw/zinc/32/21/36/495322136.db2.gz GAJQCNPKTIUNOO-OALUTQOASA-N 2 0 372.557 3.291 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1)c1ccccc1 ZINC000105083442 495334825 /nfs/dbraw/zinc/33/48/25/495334825.db2.gz CJYMSAMDDZAUPQ-PZJWPPBQSA-N 2 0 374.573 3.489 20 0 FGADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)NCCC[NH+](C)C2CCCCC2)C1 ZINC000105128159 495339058 /nfs/dbraw/zinc/33/90/58/495339058.db2.gz VFEOMPKGGFFAOE-GOSISDBHSA-N 2 0 352.567 3.061 20 0 FGADRP C[NH+](C)[C@@H]1CCCN(C(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)C1 ZINC000105207781 495345328 /nfs/dbraw/zinc/34/53/28/495345328.db2.gz IKAMMFQSAMXRCN-OAQYLSRUSA-N 2 0 372.557 3.298 20 0 FGADRP C[C@@H](CNC(=O)N1CCC(C[N@H+](C)Cc2ccccc2)CC1)[NH+](C)C1CC1 ZINC000105269533 495350850 /nfs/dbraw/zinc/35/08/50/495350850.db2.gz AURUXWVQFOJJLC-SFHVURJKSA-N 2 0 372.557 3.023 20 0 FGADRP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)NCCCC[NH+]2CCCC[C@@H]2C)C1 ZINC000124932953 495366297 /nfs/dbraw/zinc/36/62/97/495366297.db2.gz IPCONCZSEQZOJB-PMACEKPBSA-N 2 0 366.594 3.308 20 0 FGADRP C[C@@H](CCNC(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1)[N@H+](C)Cc1ccccc1 ZINC000571630280 505777537 /nfs/dbraw/zinc/77/75/37/505777537.db2.gz KOEZXOJWDRMFSO-OALUTQOASA-N 2 0 374.573 3.269 20 0 FGADRP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@@H](c3ccc(Cl)cc3)C2)CC1 ZINC000114457104 495377117 /nfs/dbraw/zinc/37/71/17/495377117.db2.gz GMVPRQFZNMTLCT-QGZVFWFLSA-N 2 0 363.933 3.118 20 0 FGADRP Cc1nn(C)c(C)c1C[C@@H](C)[NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000120482392 495388836 /nfs/dbraw/zinc/38/88/36/495388836.db2.gz FZEHTPARLUZSQX-CVEARBPZSA-N 2 0 358.530 3.259 20 0 FGADRP CCC(CC)(CNC(=O)[C@H]1CC12CC[NH2+]CC2)[NH2+][C@H](C)c1ccccc1 ZINC000137249139 495432777 /nfs/dbraw/zinc/43/27/77/495432777.db2.gz LADXKWMVOCNJKN-IEBWSBKVSA-N 2 0 357.542 3.402 20 0 FGADRP COc1ccc([C@H](O)C[NH2+][C@H](C)c2cccc(OCC[NH+](C)C)c2)cc1 ZINC000125403461 495439335 /nfs/dbraw/zinc/43/93/35/495439335.db2.gz KIUMDGQITBSNNN-IIBYNOLFSA-N 2 0 358.482 3.020 20 0 FGADRP Cc1ccc([C@@H](CNC(=O)N2CCC([NH2+]C3CCCC3)CC2)[NH+](C)C)cc1 ZINC000130770988 495442668 /nfs/dbraw/zinc/44/26/68/495442668.db2.gz MMEMOKZPNVBRQS-OAQYLSRUSA-N 2 0 372.557 3.304 20 0 FGADRP COc1ccc([C@@H](C)[NH2+]CCC2CC[NH+](C)CC2)cc1Cn1cccn1 ZINC000125431936 495443442 /nfs/dbraw/zinc/44/34/42/495443442.db2.gz AGDFBUZZSLHMQZ-QGZVFWFLSA-N 2 0 356.514 3.323 20 0 FGADRP CN(c1ccccc1C[N@H+](C)CCc1ccccn1)C1CC[NH+](C)CC1 ZINC000120829230 495466422 /nfs/dbraw/zinc/46/64/22/495466422.db2.gz YKGDGGXIUKEDNA-UHFFFAOYSA-N 2 0 352.526 3.287 20 0 FGADRP C[C@@H](Cn1cc(Br)cn1)[NH2+]Cc1ccc(F)c(C[NH+](C)C)c1 ZINC000120911880 495484074 /nfs/dbraw/zinc/48/40/74/495484074.db2.gz LVVGOFPFKRAKRF-LBPRGKRZSA-N 2 0 369.282 3.025 20 0 FGADRP CC[C@H]([NH2+]C[C@@H](C)CN1CC[NH+](C)CC1)c1cccc(Br)c1 ZINC000121034798 495508400 /nfs/dbraw/zinc/50/84/00/495508400.db2.gz NBBITZLBUUJTIN-QAPCUYQASA-N 2 0 368.363 3.373 20 0 FGADRP C[C@@H](C[NH2+][C@@H](C)c1nc(-c2ccccc2)cs1)CN1CC[NH+](C)CC1 ZINC000121048177 495512114 /nfs/dbraw/zinc/51/21/14/495512114.db2.gz NXCMJBFBVSZSDI-IRXDYDNUSA-N 2 0 358.555 3.344 20 0 FGADRP C[C@H](NC(=O)NCC(C)(C)[NH+]1CCCCC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182362671 495533917 /nfs/dbraw/zinc/53/39/17/495533917.db2.gz NPDFUKVYEODCFC-ZWKOTPCHSA-N 2 0 364.578 3.203 20 0 FGADRP CN(C)[C@@H](C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1)c1ccccc1 ZINC000144147633 495542434 /nfs/dbraw/zinc/54/24/34/495542434.db2.gz FEESNRDVLVROSP-PKOBYXMFSA-N 2 0 357.523 3.304 20 0 FGADRP CCC[NH+]1CCC(N(C)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)CC1 ZINC000577770134 505789405 /nfs/dbraw/zinc/78/94/05/505789405.db2.gz JDZAMOIZINXBIA-GHTZIAJQSA-N 2 0 372.557 3.165 20 0 FGADRP C[NH+]1CCN(c2cc(C[NH2+][C@H]3CCCc4cc(F)ccc43)ccn2)CC1 ZINC000182468015 495573852 /nfs/dbraw/zinc/57/38/52/495573852.db2.gz RHAXNAQCBAMERH-FQEVSTJZSA-N 2 0 354.473 3.140 20 0 FGADRP CCOc1ccc(Cl)cc1[C@@H](C)[NH2+]CCCC[NH+]1CCN(C)CC1 ZINC000154370314 495596500 /nfs/dbraw/zinc/59/65/00/495596500.db2.gz ZEPGHUZSUUCOLG-MRXNPFEDSA-N 2 0 353.938 3.417 20 0 FGADRP OC[C@]1(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)C[C@H]1c1ccccc1 ZINC000571693975 505791890 /nfs/dbraw/zinc/79/18/90/505791890.db2.gz FDOMTMJSHJVRRK-BJKOFHAPSA-N 2 0 364.533 3.449 20 0 FGADRP CCC[NH+](CCC)CCCNC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000158870713 495606373 /nfs/dbraw/zinc/60/63/73/495606373.db2.gz BDQYDJRZTXZWTM-IBGZPJMESA-N 2 0 352.567 3.158 20 0 FGADRP CCN1CC[NH+](CCCC[NH2+][C@@H](C)c2ccc(OC)c(Cl)c2)CC1 ZINC000154473921 495627351 /nfs/dbraw/zinc/62/73/51/495627351.db2.gz NWMPSNBVBMMXAI-INIZCTEOSA-N 2 0 353.938 3.417 20 0 FGADRP C[C@@H](NC[C@@H](O)C[NH+]1CCC(C)CC1)c1ccc(F)cc1OC(F)F ZINC000158986339 495630965 /nfs/dbraw/zinc/63/09/65/495630965.db2.gz BPBHLWWAMSXJPW-UKRRQHHQSA-N 2 0 360.420 3.171 20 0 FGADRP CC1CC[NH+]([C@H](CNC(=O)N(C)CCC[NH+](C)C)c2ccccc2)CC1 ZINC000185591294 495634929 /nfs/dbraw/zinc/63/49/29/495634929.db2.gz BFDWZYVDTNROHN-HXUWFJFHSA-N 2 0 360.546 3.053 20 0 FGADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)N[C@@H](C)[C@@H]2CCC[NH+](C3CCC3)C2)C1 ZINC000182616576 495637532 /nfs/dbraw/zinc/63/75/32/495637532.db2.gz SICLVNLENVDZGT-IPMKNSEASA-N 2 0 364.578 3.059 20 0 FGADRP CC[C@H]([NH2+]CCCC[NH+]1CCN(c2ccccc2)CC1)c1nccn1C ZINC000182623025 495639955 /nfs/dbraw/zinc/63/99/55/495639955.db2.gz LPDHSTXHTAEWDE-FQEVSTJZSA-N 2 0 355.530 3.063 20 0 FGADRP CC[NH+](CC)CCCC1CCN(C(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000182638733 495645775 /nfs/dbraw/zinc/64/57/75/495645775.db2.gz POFBVDRHYVMQLZ-VQTJNVASSA-N 2 0 366.594 3.403 20 0 FGADRP CC[C@H]([NH2+]CC1CC[NH+](Cc2ccc(OC)cc2)CC1)c1nccn1C ZINC000182679677 495661565 /nfs/dbraw/zinc/66/15/65/495661565.db2.gz PYDQOCHIKUCIBX-FQEVSTJZSA-N 2 0 356.514 3.382 20 0 FGADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N(C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000173752418 495677159 /nfs/dbraw/zinc/67/71/59/495677159.db2.gz CYYFHSDNLMZFTH-XLIONFOSSA-N 2 0 360.546 3.151 20 0 FGADRP CC(C)Oc1ccc([C@@H](C)[NH2+]Cc2ccnc(N3CC[NH+](C)CC3)c2)cc1 ZINC000159183770 495679303 /nfs/dbraw/zinc/67/93/03/495679303.db2.gz BZIMTNCBPULVTO-GOSISDBHSA-N 2 0 368.525 3.471 20 0 FGADRP COc1ccc(Cl)cc1[C@@H](C)[NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000159197111 495681809 /nfs/dbraw/zinc/68/18/09/495681809.db2.gz TZQYEHKXIPZFOQ-OAHLLOKOSA-N 2 0 374.916 3.346 20 0 FGADRP CCOc1ccc([C@@H](C)[NH2+]Cc2ccnc(N3CC[NH+](C)CC3)c2)cc1 ZINC000159207840 495683773 /nfs/dbraw/zinc/68/37/73/495683773.db2.gz CZHAKCICUZHZCO-QGZVFWFLSA-N 2 0 354.498 3.083 20 0 FGADRP C[C@@H](C[NH+]1CCCCCC1)NC(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000185704143 495689278 /nfs/dbraw/zinc/68/92/78/495689278.db2.gz KNGIUZFEEGKCQI-IBGZPJMESA-N 2 0 372.557 3.215 20 0 FGADRP CC1CC[NH+](C[C@H]2CCC[N@H+](CCC(=O)N3CCc4ccccc43)C2)CC1 ZINC000154712476 495704013 /nfs/dbraw/zinc/70/40/13/495704013.db2.gz ATXLFKSSWMHCQI-FQEVSTJZSA-N 2 0 369.553 3.410 20 0 FGADRP C[NH+](C)Cc1cccc(CNC(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2)c1 ZINC000173815400 495705051 /nfs/dbraw/zinc/70/50/51/495705051.db2.gz NDRIUFLHWRCVAZ-JOCHJYFZSA-N 2 0 365.521 3.419 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccsc1 ZINC000173823515 495708383 /nfs/dbraw/zinc/70/83/83/495708383.db2.gz IVMUIYNJFYANIB-KBAYOESNSA-N 2 0 366.575 3.255 20 0 FGADRP COc1c(Cl)cc(Cl)cc1C[NH2+][C@@H](C)CCN1CC[NH+](C)CC1 ZINC000185865797 495755097 /nfs/dbraw/zinc/75/50/97/495755097.db2.gz WHBABNYRAPOFEI-ZDUSSCGKSA-N 2 0 360.329 3.118 20 0 FGADRP C[C@@H](NC(=O)N1CCC(CC[NH+](C)C)CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182937319 495765064 /nfs/dbraw/zinc/76/50/64/495765064.db2.gz XUOJHYFMARBGIZ-IEBWSBKVSA-N 2 0 364.578 3.013 20 0 FGADRP C[NH+]1CCN(CCC(C)(C)[NH2+]Cc2cccc(-c3ccccn3)c2)CC1 ZINC000185893686 495768596 /nfs/dbraw/zinc/76/85/96/495768596.db2.gz NDTUYDPWYLLZOC-UHFFFAOYSA-N 2 0 352.526 3.254 20 0 FGADRP CN(CC(=O)Nc1ccc(Cl)cn1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000173977302 495771273 /nfs/dbraw/zinc/77/12/73/495771273.db2.gz SXQSUYKWXWNVIX-KRWDZBQOSA-N 2 0 372.900 3.127 20 0 FGADRP COc1ccc([C@@H]([NH2+]Cc2cccnc2N2CC[NH+](C)CC2)C(C)C)cc1 ZINC000180057748 495839899 /nfs/dbraw/zinc/83/98/99/495839899.db2.gz VGJUVBHGCGPVSO-NRFANRHFSA-N 2 0 368.525 3.329 20 0 FGADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H](c2ccccc2)c2ccc(OC)cc2)CC1 ZINC000180119008 495865996 /nfs/dbraw/zinc/86/59/96/495865996.db2.gz BCYCNFKBXBEAFF-AUSIDOKSSA-N 2 0 367.537 3.400 20 0 FGADRP CC(C)[C@H](C(=O)NC1CC[NH+](CCc2ccccc2)CC1)[NH+]1CCCCC1 ZINC000171434886 495872114 /nfs/dbraw/zinc/87/21/14/495872114.db2.gz UNYRJVHYNKOEHP-JOCHJYFZSA-N 2 0 371.569 3.320 20 0 FGADRP FC(F)(F)c1ccnc(NCC[NH2+]C2CC[NH+](C3CCCCC3)CC2)n1 ZINC000151739630 495932875 /nfs/dbraw/zinc/93/28/75/495932875.db2.gz XRGCMCRGTHBIQW-UHFFFAOYSA-N 2 0 371.451 3.294 20 0 FGADRP C[NH+](C)Cc1c2ccccc2oc1C(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000174383603 495934427 /nfs/dbraw/zinc/93/44/27/495934427.db2.gz CBNPWWNFAYRNIB-KRWDZBQOSA-N 2 0 369.509 3.442 20 0 FGADRP CC[NH+](CC)Cc1cc([C@H](C)[NH2+][C@H]2CCc3n[nH]cc3C2)ccc1OC ZINC000183340114 495937478 /nfs/dbraw/zinc/93/74/78/495937478.db2.gz KGGQLTWLFZQDBT-KXBFYZLASA-N 2 0 356.514 3.468 20 0 FGADRP C[NH+](C)[C@@H](CNC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1)c1cccs1 ZINC000171677894 495986380 /nfs/dbraw/zinc/98/63/80/495986380.db2.gz FKTJDEANTFQQLR-SJORKVTESA-N 2 0 364.559 3.011 20 0 FGADRP CC[C@@H](C)[N@H+](C)CCNC(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000155570964 495998311 /nfs/dbraw/zinc/99/83/11/495998311.db2.gz GNWHUYIWPOZMJY-GOSISDBHSA-N 2 0 352.567 3.014 20 0 FGADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H](C)c2ccccc2OC(F)(F)F)CC1 ZINC000155587058 496004128 /nfs/dbraw/zinc/00/41/28/496004128.db2.gz SMTJVSNPYBUXPK-GJZGRUSLSA-N 2 0 359.436 3.262 20 0 FGADRP C[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1)C1CCCCC1 ZINC000177318355 496016463 /nfs/dbraw/zinc/01/64/63/496016463.db2.gz SGNXHKRUPLUBDP-UWJYYQICSA-N 2 0 357.542 3.442 20 0 FGADRP C[C@@H]([NH2+]C1(CNC(=O)N2CC[C@@]3(CC[NH2+]C3)C2)CCCC1)c1ccccc1 ZINC000580704396 505818548 /nfs/dbraw/zinc/81/85/48/505818548.db2.gz SCSYMMNLCNYOIC-WIYYLYMNSA-N 2 0 370.541 3.045 20 0 FGADRP CN(CC[N@H+](C)Cc1ccc(F)c(Br)c1)C1CC[NH+](C)CC1 ZINC000177381369 496039509 /nfs/dbraw/zinc/03/95/09/496039509.db2.gz QIBNYKXNEKLSRS-UHFFFAOYSA-N 2 0 372.326 3.046 20 0 FGADRP CC[C@@H]([NH2+][C@@H](C)CCN1CC[NH+](C)CC1)c1ccc(OC(F)F)cc1 ZINC000186573505 496052798 /nfs/dbraw/zinc/05/27/98/496052798.db2.gz YYEUILWGDQTMOL-MAUKXSAKSA-N 2 0 355.473 3.355 20 0 FGADRP C[C@@H]([NH2+][C@@H](C)CCN1CC[NH+](C)CC1)c1ccc(F)c(Br)c1 ZINC000186580537 496055468 /nfs/dbraw/zinc/05/54/68/496055468.db2.gz ZDVOMUCBEXFGEX-UONOGXRCSA-N 2 0 372.326 3.265 20 0 FGADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H]2CCc3ccc(OC(F)(F)F)cc32)CC1 ZINC000155755511 496057458 /nfs/dbraw/zinc/05/74/58/496057458.db2.gz JTNJPVVKIKJYQA-RDTXWAMCSA-N 2 0 371.447 3.188 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1ccccc1 ZINC000174691522 496064310 /nfs/dbraw/zinc/06/43/10/496064310.db2.gz LKVAKLQDERRQCI-OTYNDTSQSA-N 2 0 372.557 3.384 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCCn2c(C)nc3ccccc32)[C@H](C)C1 ZINC000155860636 496091027 /nfs/dbraw/zinc/09/10/27/496091027.db2.gz ZPZMUTRPXNUPBH-QUCCMNQESA-N 2 0 372.557 3.461 20 0 FGADRP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)[C@@H]2CCC[N@H+](Cc3cccc(F)c3)C2)C1 ZINC000177559938 496112414 /nfs/dbraw/zinc/11/24/14/496112414.db2.gz TZGVYWSMPRBWOK-YZGWKJHDSA-N 2 0 361.505 3.027 20 0 FGADRP [NH3+]C1(CNC(=O)[C@@H]2CCCC[C@@H]2C2CC2)CC[NH+](Cc2ccccc2)CC1 ZINC000577953908 505826510 /nfs/dbraw/zinc/82/65/10/505826510.db2.gz NVSGFDZCDHBWKE-NHCUHLMSSA-N 2 0 369.553 3.313 20 0 FGADRP CCC[N@H+](C)C[C@H]1CC[NH+](CCC(=O)NCc2ccccc2Cl)C1 ZINC000174964761 496185299 /nfs/dbraw/zinc/18/52/99/496185299.db2.gz WOYSLAUCNIHRLF-MRXNPFEDSA-N 2 0 351.922 3.010 20 0 FGADRP CC[N@H+](C)C[C@H]1CCN(C(=O)NCc2ccccc2C[NH+](C)C(C)C)C1 ZINC000177849356 496221916 /nfs/dbraw/zinc/22/19/16/496221916.db2.gz HQBQSZXQOXJPRY-GOSISDBHSA-N 2 0 360.546 3.010 20 0 FGADRP C[C@H]([NH2+]C(C)(C)CNC(=O)N1CCC[C@H]1C[NH+]1CCCC1)c1ccccc1 ZINC000172269330 496236911 /nfs/dbraw/zinc/23/69/11/496236911.db2.gz BWMRYGWWJRFSDF-ICSRJNTNSA-N 2 0 372.557 3.386 20 0 FGADRP C[C@@H]([NH2+]CCc1cn2c(n1)CCCC2)c1ccc(N2CCOC2=O)cc1 ZINC000152747735 496244255 /nfs/dbraw/zinc/24/42/55/496244255.db2.gz UKGCNXYTLBHLNY-OAHLLOKOSA-N 2 0 354.454 3.069 20 0 FGADRP O=C(CCC1CC[NH2+]CC1)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000574689505 505832348 /nfs/dbraw/zinc/83/23/48/505832348.db2.gz KBHWABLHBSJDLN-VXKWHMMOSA-N 2 0 369.553 3.279 20 0 FGADRP O=C(c1cccc(CN2CCCC[C@H]2[C@@H]2CCC[NH2+]2)c1)N1CCCCC1 ZINC000580764870 505833048 /nfs/dbraw/zinc/83/30/48/505833048.db2.gz SDJGRQXXZVDVQY-SFTDATJTSA-N 2 0 355.526 3.419 20 0 FGADRP Cn1ccnc1CC1CCN(Cc2ccn(-c3c(F)cccc3F)n2)CC1 ZINC000152816907 496265411 /nfs/dbraw/zinc/26/54/11/496265411.db2.gz KROFTTCQDOEYEH-UHFFFAOYSA-N 2 0 371.435 3.339 20 0 FGADRP CCC[NH+]1CCC(C[NH2+]C[C@@H](O)Cc2ccccc2C(F)(F)F)CC1 ZINC000580769426 505834788 /nfs/dbraw/zinc/83/47/88/505834788.db2.gz PSUPKNCAKQPUCN-KRWDZBQOSA-N 2 0 358.448 3.320 20 0 FGADRP C[N@H+](CCCNC(=O)N1CCC[NH+](C2CCCC2)CC1)Cc1ccccc1 ZINC000172525745 496327328 /nfs/dbraw/zinc/32/73/28/496327328.db2.gz VSQGEIMZXMCVFV-UHFFFAOYSA-N 2 0 372.557 3.168 20 0 FGADRP C[N@@H+]1CCC[C@@H]2C[NH+](C[C@H](O)Cc3ccccc3C(F)(F)F)CC[C@@H]21 ZINC000153026681 496331163 /nfs/dbraw/zinc/33/11/63/496331163.db2.gz QUZCVUKQYWVNBI-NUJGCVRESA-N 2 0 356.432 3.025 20 0 FGADRP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](CCCCCOc2ccccc2)CC1 ZINC000187196805 496335088 /nfs/dbraw/zinc/33/50/88/496335088.db2.gz ZTTNICVHWJVQBI-NRFANRHFSA-N 2 0 359.558 3.338 20 0 FGADRP C[NH+](C)CCN(CC1CCCCC1)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000172555206 496338910 /nfs/dbraw/zinc/33/89/10/496338910.db2.gz WLTZNRPNKSSPIF-UHFFFAOYSA-N 2 0 364.578 3.014 20 0 FGADRP C[C@H]([NH2+]Cc1ccc(OCC[NH+](C)C)cc1)c1ccc([S@@](C)=O)cc1 ZINC000162514452 496366093 /nfs/dbraw/zinc/36/60/93/496366093.db2.gz AHBCBFWEIQQXSR-LMKMVOKYSA-N 2 0 360.523 3.215 20 0 FGADRP C[C@@H]([NH2+]Cc1cccc(OCC[NH+](C)C)c1)c1ccc2c(c1)OCCO2 ZINC000162568057 496374210 /nfs/dbraw/zinc/37/42/10/496374210.db2.gz QKNXNRLWAMLGPG-MRXNPFEDSA-N 2 0 356.466 3.249 20 0 FGADRP CC(=O)c1oc2ccccc2c1NC(=O)[C@H](C)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000578013467 505841225 /nfs/dbraw/zinc/84/12/25/505841225.db2.gz QOIDTCGWKWSBGW-SDNTUTLCSA-N 2 0 369.465 3.022 20 0 FGADRP C[N@@H+]1CCC[C@@H]2C[NH+](C[C@H](O)COc3ccc(Cl)cc3Cl)CC[C@@H]21 ZINC000162787796 496412963 /nfs/dbraw/zinc/41/29/63/496412963.db2.gz OTIRCGFGLOGVFS-KMFMINBZSA-N 2 0 373.324 3.149 20 0 FGADRP CC(C)(C)C1CCC(C[N@@H+]2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)CC1 ZINC000578022161 505843097 /nfs/dbraw/zinc/84/30/97/505843097.db2.gz SFRNMCRGBLFAHS-ZUPWUQBJSA-N 2 0 363.590 3.419 20 0 FGADRP COc1ccc(C[C@@H](C)C[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)cc1F ZINC000187403464 496427002 /nfs/dbraw/zinc/42/70/02/496427002.db2.gz SKIWHUGTEWPSCU-SJLPKXTDSA-N 2 0 364.505 3.103 20 0 FGADRP C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+]CCC[NH+]1CCCC1 ZINC000178414503 496448254 /nfs/dbraw/zinc/44/82/54/496448254.db2.gz VOJCFGOEGXLYIK-CQSZACIVSA-N 2 0 373.419 3.378 20 0 FGADRP Cc1ccc(C(=O)NCC[NH2+][C@H](C)c2ccc(OCC[NH+](C)C)cc2)cc1 ZINC000178460173 496465188 /nfs/dbraw/zinc/46/51/88/496465188.db2.gz VCXFZWAZMPVDSL-GOSISDBHSA-N 2 0 369.509 3.016 20 0 FGADRP C[C@H]1CN(Cc2cccc(C[NH2+]CCC(=O)Nc3ccccc3)c2)CCO1 ZINC000580828612 505847520 /nfs/dbraw/zinc/84/75/20/505847520.db2.gz DOJZTLJXUIXUFQ-SFHVURJKSA-N 2 0 367.493 3.026 20 0 FGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H](C)c2cc3cccc(OC)c3o2)CC1 ZINC000181692686 496505399 /nfs/dbraw/zinc/50/53/99/496505399.db2.gz VCIRDRQJQQGKRO-SJORKVTESA-N 2 0 359.514 3.366 20 0 FGADRP C[C@@H](C(=O)NCC1CC[NH+](Cc2ccccc2)CC1)[NH+]1CCCCCC1 ZINC000175701197 496507069 /nfs/dbraw/zinc/50/70/69/496507069.db2.gz MITIXIOWYZYODR-IBGZPJMESA-N 2 0 357.542 3.279 20 0 FGADRP C[C@@H](c1cccc(F)c1)[NH+]1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000172984234 496509566 /nfs/dbraw/zinc/50/95/66/496509566.db2.gz XBTXUJMVIHOADF-INIZCTEOSA-N 2 0 363.521 3.303 20 0 FGADRP CC[NH+](CC)CCn1ccc2cc(NC(=O)C3(C[NH3+])CCCC3)ccc21 ZINC000574753102 505848657 /nfs/dbraw/zinc/84/86/57/505848657.db2.gz FSVNTNRPVOSQSO-UHFFFAOYSA-N 2 0 356.514 3.441 20 0 FGADRP CC[C@H]([NH2+][C@@H](C)CN1CC[NH+](C)CC1)c1cc(F)cc(Br)c1 ZINC000181721069 496517496 /nfs/dbraw/zinc/51/74/96/496517496.db2.gz XZNVITVEIMOHEB-GUYCJALGSA-N 2 0 372.326 3.265 20 0 FGADRP C[C@H](C[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1)c1cccc(Br)c1 ZINC000574757109 505849256 /nfs/dbraw/zinc/84/92/56/505849256.db2.gz PWVMUIHIBUJNHU-XWIAVFTESA-N 2 0 367.331 3.381 20 0 FGADRP C[C@@H]([NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1)c1cc(F)ccc1F ZINC000163497775 496524394 /nfs/dbraw/zinc/52/43/94/496524394.db2.gz AQVWDKPITQRMMF-CQSZACIVSA-N 2 0 367.484 3.242 20 0 FGADRP CC(C)CC[NH+]1CCC(C[NH2+]C2CCN(Cc3cccnc3)CC2)CC1 ZINC000163602706 496537865 /nfs/dbraw/zinc/53/78/65/496537865.db2.gz WQWSCBMUVQFABJ-UHFFFAOYSA-N 2 0 358.574 3.394 20 0 FGADRP [NH3+]CC[C@H]1CCCN(C(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)C1 ZINC000578051229 505850227 /nfs/dbraw/zinc/85/02/27/505850227.db2.gz BVHUOMDZEFBPHW-LJQANCHMSA-N 2 0 372.557 3.333 20 0 FGADRP COCC[N@H+](C)CCOc1cccc(C[NH2+][C@H]2CCc3ccccc32)c1 ZINC000163629377 496540098 /nfs/dbraw/zinc/54/00/98/496540098.db2.gz MEFGTMMZEWNZNN-QFIPXVFZSA-N 2 0 354.494 3.421 20 0 FGADRP C[C@H]([NH2+]CCCC[NH+]1CCN(c2ccccc2)CC1)c1cncc(F)c1 ZINC000178698914 496544224 /nfs/dbraw/zinc/54/42/24/496544224.db2.gz MRNUOKXCDBLSNQ-SFHVURJKSA-N 2 0 356.489 3.474 20 0 FGADRP COC[C@H]([NH2+]Cc1ccc(C[NH+]2CCC(C)CC2)cc1)C1CCOCC1 ZINC000187722977 496546800 /nfs/dbraw/zinc/54/68/00/496546800.db2.gz GALXQOKDCYGUNK-QFIPXVFZSA-N 2 0 360.542 3.450 20 0 FGADRP C[C@@H](CCNC(=O)NCCCCC[NH+]1CCCCC1)[NH+]1CCCCC1 ZINC000181802780 496550796 /nfs/dbraw/zinc/55/07/96/496550796.db2.gz QGJSSZLCMMOCPG-IBGZPJMESA-N 2 0 352.567 3.206 20 0 FGADRP C[C@H](C[NH2+]Cc1cccnc1N1CC[NH+](C)CC1)c1cccc(Cl)c1 ZINC000187768288 496564503 /nfs/dbraw/zinc/56/45/03/496564503.db2.gz CIMHGYVQDPUFFJ-MRXNPFEDSA-N 2 0 358.917 3.380 20 0 FGADRP CC(C)[NH2+]CCC(=O)N1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000163993581 496577608 /nfs/dbraw/zinc/57/76/08/496577608.db2.gz BAJGJJNIBSQGDQ-UHFFFAOYSA-N 2 0 371.447 3.128 20 0 FGADRP C[C@H](C(=O)N[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)[C@H]([NH3+])c1ccccc1 ZINC000178831437 496586789 /nfs/dbraw/zinc/58/67/89/496586789.db2.gz MBAHSFQCLCPHHY-OVQGTLEDSA-N 2 0 351.494 3.102 20 0 FGADRP CC[NH+](CC)CCOc1ccc(NC(=O)C[C@@H](C)[C@@H]2CCC[NH2+]C2)cc1 ZINC000164304863 496603347 /nfs/dbraw/zinc/60/33/47/496603347.db2.gz PEKDDUIKPCKEIO-QZTJIDSGSA-N 2 0 361.530 3.372 20 0 FGADRP CCC[NH+]1CCC([N@H+](C)C[C@@H](O)COc2ccccc2C(F)(F)F)CC1 ZINC000181945555 496608244 /nfs/dbraw/zinc/60/82/44/496608244.db2.gz LOOFSHDIAWQFCW-MRXNPFEDSA-N 2 0 374.447 3.251 20 0 FGADRP C[NH+]1CCN(c2ncccc2C[NH2+]C2CC(c3cc(F)cc(F)c3)C2)CC1 ZINC000580860241 505855106 /nfs/dbraw/zinc/85/51/06/505855106.db2.gz VXVRNNMOZLCDOG-UHFFFAOYSA-N 2 0 372.463 3.147 20 0 FGADRP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](Cc2cccc3cccnc32)CC1 ZINC000153911957 496621723 /nfs/dbraw/zinc/62/17/23/496621723.db2.gz JEUANSOLJIHQFC-RTBURBONSA-N 2 0 352.526 3.225 20 0 FGADRP C[C@H]([NH2+]CCCCC[NH+]1CCCCC1)c1ccc(NS(C)(=O)=O)cc1 ZINC000164627065 496622844 /nfs/dbraw/zinc/62/28/44/496622844.db2.gz PDEVSXCTXZAHRM-KRWDZBQOSA-N 2 0 367.559 3.365 20 0 FGADRP CC[NH+](CC)Cc1cccc(CNC(=O)[C@H]2[NH2+]CCc3ccccc32)c1 ZINC000164746841 496631108 /nfs/dbraw/zinc/63/11/08/496631108.db2.gz LEJKPLSYQAFCLE-NRFANRHFSA-N 2 0 351.494 3.032 20 0 FGADRP C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)CC2CC[NH2+]CC2)C1 ZINC000164846067 496635988 /nfs/dbraw/zinc/63/59/88/496635988.db2.gz MLERKNRHTSETOK-ROUUACIJSA-N 2 0 357.542 3.170 20 0 FGADRP CCC[C@@H]([NH2+]Cc1ccc(CN2CC[NH+](C)CC2)cc1)c1cccnc1 ZINC000185084666 496652695 /nfs/dbraw/zinc/65/26/95/496652695.db2.gz BKVLTKMWLAPKIZ-JOCHJYFZSA-N 2 0 352.526 3.460 20 0 FGADRP C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]C[C@H](C)C[NH+]1CCCC1 ZINC000165265795 496654092 /nfs/dbraw/zinc/65/40/92/496654092.db2.gz OGHMMTISYAEWKM-DLBZAZTESA-N 2 0 365.949 3.399 20 0 FGADRP C[C@@H]([NH2+]C[C@H](C)C[NH+]1CCCC1)c1ccc(OCc2nccn2C)cc1 ZINC000165288026 496654538 /nfs/dbraw/zinc/65/45/38/496654538.db2.gz WNXQLUMQMSAILT-ZWKOTPCHSA-N 2 0 356.514 3.382 20 0 FGADRP CC(=O)Nc1ccc(CC[NH2+][C@H](C)c2ccc(OCC[NH+](C)C)cc2)cc1 ZINC000165591251 496662132 /nfs/dbraw/zinc/66/21/32/496662132.db2.gz JZTVTCSIHCDZIN-QGZVFWFLSA-N 2 0 369.509 3.479 20 0 FGADRP CCN1CC[NH+](CCCC[NH2+][C@@H](C[C@@H]2CCOC2)c2ccccc2)CC1 ZINC000166147292 496678138 /nfs/dbraw/zinc/67/81/38/496678138.db2.gz NLBFGUNKTLZAHL-UNMCSNQZSA-N 2 0 359.558 3.162 20 0 FGADRP CCN1CC[NH+](CCCC[NH2+][C@H](C[C@@H]2CCOC2)c2ccccc2)CC1 ZINC000166147383 496678175 /nfs/dbraw/zinc/67/81/75/496678175.db2.gz NLBFGUNKTLZAHL-RBBKRZOGSA-N 2 0 359.558 3.162 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(F)c(C)c1 ZINC000176122891 496693693 /nfs/dbraw/zinc/69/36/93/496693693.db2.gz LFFPFDRHJSZGQB-QGZVFWFLSA-N 2 0 350.482 3.014 20 0 FGADRP COc1ccc([C@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CC[C@H](O)C2)cc1OC ZINC000182264795 496723549 /nfs/dbraw/zinc/72/35/49/496723549.db2.gz FQTSRNKBWJZBKU-JXFKEZNVSA-N 2 0 370.493 3.121 20 0 FGADRP COc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000182272172 496724112 /nfs/dbraw/zinc/72/41/12/496724112.db2.gz RYJLHEYKAXBVEG-REWPJTCUSA-N 2 0 366.505 3.429 20 0 FGADRP CSc1ccccc1[C@@H](C)[NH2+]C[C@@H](O)CN1CCc2ccccc2C1 ZINC000194847017 496734069 /nfs/dbraw/zinc/73/40/69/496734069.db2.gz HBTQOYHYNNZSJW-VQIMIIECSA-N 2 0 356.535 3.478 20 0 FGADRP CC[NH+](CC)Cc1ccc(NC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)cc1 ZINC000188375459 496768858 /nfs/dbraw/zinc/76/88/58/496768858.db2.gz SDSXCZMVDOZKIL-FQEVSTJZSA-N 2 0 359.514 3.110 20 0 FGADRP C[C@@H]1CCC[N@H+](CCCC[NH2+][C@@H]2CCN(Cc3ccccn3)C[C@H]2C)C1 ZINC000247101248 496778413 /nfs/dbraw/zinc/77/84/13/496778413.db2.gz QAUWMOKYRCNHDC-KCZVDYSFSA-N 2 0 358.574 3.394 20 0 FGADRP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(NC(=O)c3ccncc3)cc2)[C@H](C)C1 ZINC000268777929 496782353 /nfs/dbraw/zinc/78/23/53/496782353.db2.gz BBBMTLRUHNLBAI-OXQOHEQNSA-N 2 0 352.482 3.154 20 0 FGADRP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)N[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000273405750 496797511 /nfs/dbraw/zinc/79/75/11/496797511.db2.gz HPHRKVBOYJAQKQ-LQWHRVPQSA-N 2 0 372.557 3.021 20 0 FGADRP C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+]CCCC[NH+](C)C ZINC000268866523 496809241 /nfs/dbraw/zinc/80/92/41/496809241.db2.gz CNEVMYVACXWKIC-CYBMUJFWSA-N 2 0 356.308 3.098 20 0 FGADRP Cc1cccc(NC2CC[NH+](CCCN3CC[NH+](C(C)C)CC3)CC2)c1 ZINC000191577284 496819153 /nfs/dbraw/zinc/81/91/53/496819153.db2.gz UDAGLOWIJPJKRJ-UHFFFAOYSA-N 2 0 358.574 3.287 20 0 FGADRP Cc1ccc(C[C@H](CO)[NH2+][C@H](C)c2ccc(OCC[NH+](C)C)cc2)cc1 ZINC000191595076 496826017 /nfs/dbraw/zinc/82/60/17/496826017.db2.gz NOFRHDFYHKUACR-WIYYLYMNSA-N 2 0 356.510 3.190 20 0 FGADRP C[C@H]([NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000195134408 496830241 /nfs/dbraw/zinc/83/02/41/496830241.db2.gz PEICGTNEGZFYNA-PKOBYXMFSA-N 2 0 372.534 3.263 20 0 FGADRP CC(C)OCC[C@@H](O)C[NH2+]CC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000578127664 505868620 /nfs/dbraw/zinc/86/86/20/505868620.db2.gz JRJMNSPYXPDGCB-LJQANCHMSA-N 2 0 368.949 3.318 20 0 FGADRP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)C1 ZINC000247415916 496854268 /nfs/dbraw/zinc/85/42/68/496854268.db2.gz UAHNBQHJBSNBDZ-VAMGGRTRSA-N 2 0 364.578 3.014 20 0 FGADRP C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)N2CC[NH+]3CCC2CC3)c1 ZINC000188633435 496859025 /nfs/dbraw/zinc/85/90/25/496859025.db2.gz KTSNMGMGYRHXKB-UHFFFAOYSA-N 2 0 363.505 3.239 20 0 FGADRP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC000247459893 496863635 /nfs/dbraw/zinc/86/36/35/496863635.db2.gz QJQRPXAVIHSRJL-KGEPEWOVSA-N 2 0 364.578 3.059 20 0 FGADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H](C)c1ccc(NC(=O)NC(C)C)cc1 ZINC000269076305 496865212 /nfs/dbraw/zinc/86/52/12/496865212.db2.gz NNAJPLIVFMNAIE-APWZRJJASA-N 2 0 364.534 3.224 20 0 FGADRP C[C@@H]1CCCC[C@H]1NC(=O)CN(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000247485167 496869543 /nfs/dbraw/zinc/86/95/43/496869543.db2.gz KMDSAJMBZJUZSX-HMXCVIKNSA-N 2 0 357.542 3.135 20 0 FGADRP CC[NH+]1CCN(c2ccccc2NC(=O)[C@H](C)[C@@H]([NH3+])c2ccccc2)CC1 ZINC000269245968 496903941 /nfs/dbraw/zinc/90/39/41/496903941.db2.gz DKKSRLHFLNBJQO-DYESRHJHSA-N 2 0 366.509 3.103 20 0 FGADRP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)c1ccc(F)c(Br)c1 ZINC000247949166 496931621 /nfs/dbraw/zinc/93/16/21/496931621.db2.gz DVHCQYXRHMHFJY-HIFRSBDPSA-N 2 0 373.310 3.476 20 0 FGADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000195636019 496956235 /nfs/dbraw/zinc/95/62/35/496956235.db2.gz GXRXXRZOSGAOMF-MOPGFXCFSA-N 2 0 372.557 3.202 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C[C@@H]([NH3+])c1ccccc1 ZINC000269511857 496961680 /nfs/dbraw/zinc/96/16/80/496961680.db2.gz OVLGTQQWVSRYGJ-UIFIKXQLSA-N 2 0 351.494 3.103 20 0 FGADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+][C@H]1CCN(c2ccccc2OC(F)F)C1 ZINC000248217849 496974236 /nfs/dbraw/zinc/97/42/36/496974236.db2.gz ZZEAKHHGVUMLDS-LVQVYYBASA-N 2 0 353.457 3.185 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000248388499 496990101 /nfs/dbraw/zinc/99/01/01/496990101.db2.gz DXLDIWINAHGDRI-DYESRHJHSA-N 2 0 366.509 3.390 20 0 FGADRP C[C@H]([NH2+]CCOCC[NH+](C)C)c1cc2cc(Br)ccc2o1 ZINC000219310410 497008525 /nfs/dbraw/zinc/00/85/25/497008525.db2.gz PCQKJWJHQAUASJ-LBPRGKRZSA-N 2 0 355.276 3.424 20 0 FGADRP CCO[C@@H]1C[C@@H]([NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H]2CO)C12CCC2 ZINC000248430996 497008979 /nfs/dbraw/zinc/00/89/79/497008979.db2.gz BYJSDVYKYWOMKV-PWRODBHTSA-N 2 0 358.526 3.081 20 0 FGADRP C[C@@H](CCNC(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1)[NH+]1CCCCC1 ZINC000248455592 497018075 /nfs/dbraw/zinc/01/80/75/497018075.db2.gz MOUJSFBHVYUQDB-MOPGFXCFSA-N 2 0 352.567 3.062 20 0 FGADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H](O)COc2ccccc2C(F)(F)F)[C@@H](C)C1 ZINC000248460830 497020203 /nfs/dbraw/zinc/02/02/03/497020203.db2.gz OSSYWKASULIJAE-UXLLHSPISA-N 2 0 374.447 3.107 20 0 FGADRP CC(C)[NH2+]CCCNC(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000569215786 505881285 /nfs/dbraw/zinc/88/12/85/505881285.db2.gz VVMPLCJUCXULKG-UHFFFAOYSA-N 2 0 372.557 3.072 20 0 FGADRP OC[C@@H](Cc1ccccc1)[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000248589934 497049420 /nfs/dbraw/zinc/04/94/20/497049420.db2.gz ZAOOYBFBWIMFTH-SSGKUCQKSA-N 2 0 350.506 3.090 20 0 FGADRP [NH3+][C@@H](CCC(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1)c1ccccc1 ZINC000574911534 505881966 /nfs/dbraw/zinc/88/19/66/505881966.db2.gz HRVGNWPIGIMVTR-FDFHNCONSA-N 2 0 363.505 3.200 20 0 FGADRP C[NH+](C)[C@H]1CCC[C@H]([NH2+]C2CCC(N3C(=O)c4ccccc4C3=O)CC2)C1 ZINC000189272932 497066006 /nfs/dbraw/zinc/06/60/06/497066006.db2.gz ZGDNUWSXWMGQAO-IKJBURDNSA-N 2 0 369.509 3.056 20 0 FGADRP CC(C)[NH2+]CCC(=O)N(CC[NH+]1CCCC1)Cc1ccc(Cl)cc1 ZINC000569222953 505882411 /nfs/dbraw/zinc/88/24/11/505882411.db2.gz MUPHVEHRSCHFCX-UHFFFAOYSA-N 2 0 351.922 3.153 20 0 FGADRP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000227375785 497088696 /nfs/dbraw/zinc/08/86/96/497088696.db2.gz WMWOMEOCHMCJTL-YVSFHVDLSA-N 2 0 366.575 3.016 20 0 FGADRP OCC[C@@H]([NH2+]CCCCCC[NH2+][C@@H](CCO)c1ccco1)c1ccco1 ZINC000274417377 497093394 /nfs/dbraw/zinc/09/33/94/497093394.db2.gz NKKVYVIBCKRFGB-HDICACEKSA-N 2 0 364.486 3.159 20 0 FGADRP C[C@@H]1C[C@H](CCNC(=O)N2CCC(CC[NH3+])CC2)C[N@@H+]1Cc1ccccc1 ZINC000569231015 505884849 /nfs/dbraw/zinc/88/48/49/505884849.db2.gz ZUPNWPXKJQJXLP-NQIIRXRSSA-N 2 0 372.557 3.058 20 0 FGADRP CC(C)O[C@@H]1C[C@@H]([NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H]2CO)C1(C)C ZINC000248873716 497123245 /nfs/dbraw/zinc/12/32/45/497123245.db2.gz QVMQPKHDMIKSLX-PWRODBHTSA-N 2 0 360.542 3.325 20 0 FGADRP CC1CC[NH+](Cc2ccc(CNC(=O)[C@H]([NH3+])Cc3ccccc3)cc2)CC1 ZINC000236634692 497124040 /nfs/dbraw/zinc/12/40/40/497124040.db2.gz CLIAQARKMMHNPR-JOCHJYFZSA-N 2 0 365.521 3.105 20 0 FGADRP CCCC[NH+]1CCC(NC(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000248902032 497131634 /nfs/dbraw/zinc/13/16/34/497131634.db2.gz UOAZEHUSGBNUNI-WIYYLYMNSA-N 2 0 372.557 3.071 20 0 FGADRP Cc1ncncc1[C@H](C)[NH2+]CCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000578205617 505886417 /nfs/dbraw/zinc/88/64/17/505886417.db2.gz VONJNBUWVFCKHN-KRWDZBQOSA-N 2 0 354.498 3.153 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)[C@@H]1[NH2+]CCc2ccccc21)c1ccsc1 ZINC000236830911 497153029 /nfs/dbraw/zinc/15/30/29/497153029.db2.gz SJSGBOZHOBTBSJ-RBUKOAKNSA-N 2 0 357.523 3.134 20 0 FGADRP Cc1cc(C(C)(C)C)ccc1OC[C@@H](O)C[NH2+]C1CCC([NH+](C)C)CC1 ZINC000581007423 505889199 /nfs/dbraw/zinc/88/91/99/505889199.db2.gz OGGHOLPBJPOXGO-MHJFOBGBSA-N 2 0 362.558 3.495 20 0 FGADRP C[N@@H+]1CCCN(CCC[NH2+][C@H]2CCc3ccc(Br)cc32)CC1 ZINC000249202463 497179901 /nfs/dbraw/zinc/17/99/01/497179901.db2.gz AEYUJFKJALJQIK-SFHVURJKSA-N 2 0 366.347 3.054 20 0 FGADRP Cc1ccccc1[C@H]1C[N@@H+](CCCN2CC[NH+](C(C)C)CC2)[C@@H](C)CO1 ZINC000249270949 497184773 /nfs/dbraw/zinc/18/47/73/497184773.db2.gz JLCLBIGCEYZGPN-RBBKRZOGSA-N 2 0 359.558 3.173 20 0 FGADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)C1(c2ccccc2)CC[NH2+]CC1 ZINC000237065447 497186280 /nfs/dbraw/zinc/18/62/80/497186280.db2.gz JQJCEPDJRMRTBF-UHFFFAOYSA-N 2 0 351.494 3.317 20 0 FGADRP COc1ccccc1[C@H](CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C)[NH+]1CCCCC1 ZINC000192702785 497189402 /nfs/dbraw/zinc/18/94/02/497189402.db2.gz RCHRFUIQOIBPKB-QYYYHEGRSA-N 2 0 357.542 3.437 20 0 FGADRP CC(C)C(=O)N1CCC([NH2+][C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000274904692 497196250 /nfs/dbraw/zinc/19/62/50/497196250.db2.gz LYCATWSQHTVCOE-ICSRJNTNSA-N 2 0 357.542 3.134 20 0 FGADRP C[NH2+]Cc1ccccc1NC(=O)c1ccc(N2CC[NH+](C(C)C)CC2)cc1 ZINC000237181348 497202211 /nfs/dbraw/zinc/20/22/11/497202211.db2.gz INSRCCKPLXTVTC-UHFFFAOYSA-N 2 0 366.509 3.189 20 0 FGADRP C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000237193472 497203300 /nfs/dbraw/zinc/20/33/00/497203300.db2.gz VATXGBHXRSKXMD-FRIKZZABSA-N 2 0 369.553 3.278 20 0 FGADRP Cc1ncccc1C[NH2+]Cc1cccc(OCC[N@@H+](C)C2CCOCC2)c1 ZINC000237203769 497204258 /nfs/dbraw/zinc/20/42/58/497204258.db2.gz CRNMNOHERYVXPT-UHFFFAOYSA-N 2 0 369.509 3.169 20 0 FGADRP COc1ccc([C@@H]2[C@H](CNC(=O)CCCCCC[NH3+])CCC[N@@H+]2C)cc1 ZINC000237230470 497207519 /nfs/dbraw/zinc/20/75/19/497207519.db2.gz OEQJIHKOMZSZLC-GHTZIAJQSA-N 2 0 361.530 3.104 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)NC[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000252111559 497297322 /nfs/dbraw/zinc/29/73/22/497297322.db2.gz JQENCAGHMIWAES-SVFBPWRDSA-N 2 0 374.573 3.347 20 0 FGADRP [NH3+][C@H](CC(=O)NCC1CC[NH+](Cc2cccs2)CC1)c1ccccc1 ZINC000237849910 497301562 /nfs/dbraw/zinc/30/15/62/497301562.db2.gz VPOIAWJAXYPEPG-LJQANCHMSA-N 2 0 357.523 3.166 20 0 FGADRP c1cn2c(n1)CC[C@H](C[NH2+][C@H]1C[C@H]3CC[C@@H](C1)[N@H+]3Cc1ccccc1)C2 ZINC000279010214 497302295 /nfs/dbraw/zinc/30/22/95/497302295.db2.gz SUTQMPGNAUMPSO-MXEMCNAFSA-N 2 0 350.510 3.231 20 0 FGADRP C[NH+]1CCC(C[NH2+]Cc2cnc(-c3ccco3)s2)(N2CCCCC2)CC1 ZINC000193129169 497309305 /nfs/dbraw/zinc/30/93/05/497309305.db2.gz FRIXVTUAIWQUCX-UHFFFAOYSA-N 2 0 374.554 3.443 20 0 FGADRP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+][C@@H](c1ccccc1)c1ccc(F)cn1 ZINC000253028628 497322801 /nfs/dbraw/zinc/32/28/01/497322801.db2.gz HZVRXMSSSKQVAH-FPOVZHCZSA-N 2 0 357.473 3.137 20 0 FGADRP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)c1cccc(Br)c1 ZINC000271472652 497357994 /nfs/dbraw/zinc/35/79/94/497357994.db2.gz HSPYVHILAKPUOO-KKXDTOCCSA-N 2 0 367.331 3.478 20 0 FGADRP CC(=O)Nc1ccc(C[NH2+][C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000279212712 497369338 /nfs/dbraw/zinc/36/93/38/497369338.db2.gz YIBFROMDEBBCAO-OXQOHEQNSA-N 2 0 352.482 3.040 20 0 FGADRP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)c1ccc(OC(F)F)cc1 ZINC000271564378 497384668 /nfs/dbraw/zinc/38/46/68/497384668.db2.gz XNWHUWVIQLWEAO-VHSSKADRSA-N 2 0 354.441 3.316 20 0 FGADRP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@H]2O)CC1)c1ccc(Br)cc1 ZINC000271578517 497388433 /nfs/dbraw/zinc/38/84/33/497388433.db2.gz ZYSYOCYNZILVDU-DOPJRALCSA-N 2 0 367.331 3.478 20 0 FGADRP CC(C)[NH+]1CCC(NC(=O)CN2CC[C@@H](C)[C@@H]2c2cccc(F)c2)CC1 ZINC000245411145 497391783 /nfs/dbraw/zinc/39/17/83/497391783.db2.gz VKAQBLLTDCQTRJ-IIBYNOLFSA-N 2 0 361.505 3.198 20 0 FGADRP CC(C)[NH+](CCCNC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C)C(C)C ZINC000245424820 497398364 /nfs/dbraw/zinc/39/83/64/497398364.db2.gz KIGNJVDHNAXSHK-MOPGFXCFSA-N 2 0 352.567 3.152 20 0 FGADRP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC1CC[NH+](CC)CC1 ZINC000266694608 497399984 /nfs/dbraw/zinc/39/99/84/497399984.db2.gz MRVGEHDABSWORW-HXUWFJFHSA-N 2 0 372.557 3.024 20 0 FGADRP C[C@@H](C(=O)NC1CCCCC1)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000245430876 497401634 /nfs/dbraw/zinc/40/16/34/497401634.db2.gz AJBOKSZYQVZLKP-AZUAARDMSA-N 2 0 357.542 3.278 20 0 FGADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCC(=O)Nc2ccc(Cl)cc2F)[C@@H](C)C1 ZINC000245434738 497403657 /nfs/dbraw/zinc/40/36/57/497403657.db2.gz QAQBYAASUUUQFJ-SUMWQHHRSA-N 2 0 355.885 3.470 20 0 FGADRP CC[C@@]1(CO)CCC[N@H+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)C1 ZINC000190233516 497408294 /nfs/dbraw/zinc/40/82/94/497408294.db2.gz CBOWVZVMJUULMJ-JOCHJYFZSA-N 2 0 359.558 3.202 20 0 FGADRP C/C(=C/c1ccccc1OC(F)F)C[NH2+]CCCC[NH+]1CCOCC1 ZINC000578285787 505904801 /nfs/dbraw/zinc/90/48/01/505904801.db2.gz VPRMVCRZUZVYDC-PEZBUJJGSA-N 2 0 354.441 3.393 20 0 FGADRP CC(C)N1CC[C@H]([NH2+]Cc2ccccc2C[NH+]2C[C@H](C)C[C@@H](C)C2)C1=O ZINC000245461765 497419401 /nfs/dbraw/zinc/41/94/01/497419401.db2.gz GBIMPNXRTRDKNV-OPYAIIAOSA-N 2 0 357.542 3.263 20 0 FGADRP [NH3+]CCC(=O)NC[C@H]1CCCC[N@@H+]1Cc1cc(-c2ccccc2)cs1 ZINC000261681722 497432467 /nfs/dbraw/zinc/43/24/67/497432467.db2.gz AHHBKGYTARSBEH-GOSISDBHSA-N 2 0 357.523 3.235 20 0 FGADRP O=C(NC[C@H]1CCCN(Cc2cccc(Cl)c2Cl)C1)[C@H]1CCC[NH2+]1 ZINC000261772480 497447926 /nfs/dbraw/zinc/44/79/26/497447926.db2.gz XAZQDBXMWRGOEU-CZUORRHYSA-N 2 0 370.324 3.074 20 0 FGADRP CN(Cc1cscn1)Cc1cccc(NC(=O)CC[C@H]2CC[NH2+]C2)c1 ZINC000261908368 497473822 /nfs/dbraw/zinc/47/38/22/497473822.db2.gz WBIJCWHQZPMXIV-HNNXBMFYSA-N 2 0 358.511 3.103 20 0 FGADRP FC(F)(F)c1ccn(-c2ccc(C[N@@H+]3CC[C@]4(CC[NH2+]C4)C3)cc2)n1 ZINC000261935265 497478661 /nfs/dbraw/zinc/47/86/61/497478661.db2.gz DDNJBFZSIFQVET-KRWDZBQOSA-N 2 0 350.388 3.077 20 0 FGADRP C[NH+]1CCN(c2ccc(C[NH2+][C@@H](c3ccc(F)cc3)C3CC3)cn2)CC1 ZINC000271884670 497479734 /nfs/dbraw/zinc/47/97/34/497479734.db2.gz UMHJOMFKWROKBI-OAQYLSRUSA-N 2 0 354.473 3.213 20 0 FGADRP C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)N2CC[C@](C)(C[NH3+])C2)c1 ZINC000262004871 497491287 /nfs/dbraw/zinc/49/12/87/497491287.db2.gz NTZIXKBLEPGIJE-JOCHJYFZSA-N 2 0 351.494 3.130 20 0 FGADRP O=C(Nc1ncc(C2CC[NH2+]CC2)s1)[C@@H]1CCCN1Cc1ccccc1 ZINC000262094739 497507360 /nfs/dbraw/zinc/50/73/60/497507360.db2.gz SEZBPYLWVQKBOF-KRWDZBQOSA-N 2 0 370.522 3.213 20 0 FGADRP C[NH+](C)Cc1cccc(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)c1 ZINC000193916859 497519613 /nfs/dbraw/zinc/51/96/13/497519613.db2.gz RJAUEUDKBISHHI-UHFFFAOYSA-N 2 0 351.494 3.274 20 0 FGADRP CC[NH+]1CCN(CCCC[NH2+][C@@H](COC)c2ccc(Cl)cc2)CC1 ZINC000193971491 497536094 /nfs/dbraw/zinc/53/60/94/497536094.db2.gz GKKBSVDAWUOZNK-IBGZPJMESA-N 2 0 353.938 3.035 20 0 FGADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H]2CCc3ccc(Br)cc32)CC1 ZINC000193974632 497537635 /nfs/dbraw/zinc/53/76/35/497537635.db2.gz ZGILFXFTIUEKIA-KBXCAEBGSA-N 2 0 366.347 3.052 20 0 FGADRP C[C@H]([NH2+]CCCN1CCC[N@H+](C)CC1)c1cc(Br)cs1 ZINC000194028733 497552698 /nfs/dbraw/zinc/55/26/98/497552698.db2.gz KJXZYMCZWLELIL-ZDUSSCGKSA-N 2 0 360.365 3.189 20 0 FGADRP COCCN(C)c1ccc(C[NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)cn1 ZINC000190703858 497577907 /nfs/dbraw/zinc/57/79/07/497577907.db2.gz RHBHNJCHUFJLDZ-UHFFFAOYSA-N 2 0 368.525 3.050 20 0 FGADRP Cc1ccc([C@H]([NH3+])C(=O)Nc2ccc(OCC[NH+]3CCCC3)c(C)c2)cc1 ZINC000262626427 497586343 /nfs/dbraw/zinc/58/63/43/497586343.db2.gz GDWRKHPFTQYSLT-NRFANRHFSA-N 2 0 367.493 3.417 20 0 FGADRP OC[C@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000194169285 497592210 /nfs/dbraw/zinc/59/22/10/497592210.db2.gz LBQGOBCCJWYXJT-YUMYIRISSA-N 2 0 370.537 3.081 20 0 FGADRP [NH3+]C1(C(=O)Nc2ccc(NC(=O)C[NH+]3CCCCCC3)cc2)CCCCC1 ZINC000262680079 497598134 /nfs/dbraw/zinc/59/81/34/497598134.db2.gz WPEGNZVDRUENSH-UHFFFAOYSA-N 2 0 372.513 3.101 20 0 FGADRP CCC[C@](C)([NH3+])C(=O)NC[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000262696625 497601662 /nfs/dbraw/zinc/60/16/62/497601662.db2.gz DXRLLCVPIVMFQC-OWQGQXMQSA-N 2 0 355.885 3.106 20 0 FGADRP C[NH+](C)CCN(Cc1cccs1)C(=O)c1cccc(Cn2ccnc2)c1 ZINC000267750507 497610202 /nfs/dbraw/zinc/61/02/02/497610202.db2.gz QXQVECKWONWXGC-UHFFFAOYSA-N 2 0 368.506 3.197 20 0 FGADRP Cc1cccc(NC[C@H]2CC[N@@H+]([C@H](C)C(=O)NC3CCC(C)CC3)C2)[nH+]1 ZINC000246086521 497617187 /nfs/dbraw/zinc/61/71/87/497617187.db2.gz FIVFKVBQJAVUDN-KNCVXQGMSA-N 2 0 358.530 3.207 20 0 FGADRP COc1cccc2cc([C@H](C)[NH2+]C[C@H](C(C)C)N3CC[NH+](C)CC3)oc21 ZINC000194261645 497617505 /nfs/dbraw/zinc/61/75/05/497617505.db2.gz LTVSCVYMEWXKLM-FUHWJXTLSA-N 2 0 359.514 3.364 20 0 FGADRP CC1CC[NH+]([C@@H](CNC(=O)C2CC[NH+](C3CC3)CC2)c2ccccc2)CC1 ZINC000194366903 497645077 /nfs/dbraw/zinc/64/50/77/497645077.db2.gz RNYCZJAVHVTJRM-QFIPXVFZSA-N 2 0 369.553 3.450 20 0 FGADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)NCC(C)(C)[NH2+][C@H](C)c2ccccc2)C1 ZINC000246194075 497655475 /nfs/dbraw/zinc/65/54/75/497655475.db2.gz MQRHAANAFPMQIF-RTBURBONSA-N 2 0 374.573 3.489 20 0 FGADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)NCC(C)(C)[NH2+][C@H](C)c2ccccc2)C1 ZINC000246194053 497655817 /nfs/dbraw/zinc/65/58/17/497655817.db2.gz MQRHAANAFPMQIF-MOPGFXCFSA-N 2 0 374.573 3.489 20 0 FGADRP C[C@@H](NCC1([NH+]2CCCC2)CCOCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272550641 497658565 /nfs/dbraw/zinc/65/85/65/497658565.db2.gz FENQLWKXDRZVPL-IRLDBZIGSA-N 2 0 371.569 3.132 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)NC1CC[NH+](C(C)(C)C)CC1)c1ccco1 ZINC000194480774 497681620 /nfs/dbraw/zinc/68/16/20/497681620.db2.gz LMKUTJBKRDRMME-QGZVFWFLSA-N 2 0 364.534 3.225 20 0 FGADRP CCCC[N@H+](C)CC1CCN(C(=O)c2sccc2C[NH+](C)C)CC1 ZINC000268181646 497694797 /nfs/dbraw/zinc/69/47/97/497694797.db2.gz WIIRDNQJVHXHOM-UHFFFAOYSA-N 2 0 351.560 3.394 20 0 FGADRP COc1cccc2c1CC[C@@H]2[NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000272730838 497715013 /nfs/dbraw/zinc/71/50/13/497715013.db2.gz INJUFDADSDQUPT-RXVVDRJESA-N 2 0 352.478 3.039 20 0 FGADRP COc1ccc2c(c1)[C@H](NC1CC[NH+]([C@H]3CCCC[C@H]3O)CC1)CCCO2 ZINC000246390840 497718277 /nfs/dbraw/zinc/71/82/77/497718277.db2.gz KWDMUCOTORHKKL-QHAWAJNXSA-N 2 0 374.525 3.266 20 0 FGADRP CC(C)C[NH+]1CCC[C@H](CNC(=O)NC[C@H]2CCC[N@@H+](CC(C)C)C2)C1 ZINC000246392507 497718371 /nfs/dbraw/zinc/71/83/71/497718371.db2.gz JGEFXWZMUYRGKX-WOJBJXKFSA-N 2 0 366.594 3.022 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NCC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)[C@@H](C)C1 ZINC000246430646 497731987 /nfs/dbraw/zinc/73/19/87/497731987.db2.gz MOUPDWGPUZYMPJ-YRXWBPOGSA-N 2 0 366.594 3.115 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)[C@@H]1CCCC[C@]1(C)[NH3+])c1cccc(OC)c1 ZINC000263262186 497744255 /nfs/dbraw/zinc/74/42/55/497744255.db2.gz RCEQPADPNANEHG-ZVDOUQERSA-N 2 0 361.530 3.102 20 0 FGADRP C[NH+]1CCC(C[NH2+]Cc2ccc(Br)o2)(N2CCCCC2)CC1 ZINC000191216551 497745612 /nfs/dbraw/zinc/74/56/12/497745612.db2.gz RHDDYHAVHRCAHK-UHFFFAOYSA-N 2 0 370.335 3.082 20 0 FGADRP CC1CC[NH+](Cc2ccccc2CNC(=O)[C@H]2CCCC[C@]2(C)[NH3+])CC1 ZINC000263290997 497751333 /nfs/dbraw/zinc/75/13/33/497751333.db2.gz VSMALPCPLAZPHK-IRLDBZIGSA-N 2 0 357.542 3.442 20 0 FGADRP CC(C)[NH+]1CCC([NH2+]C[C@H](CO)Cc2ccccc2Br)CC1 ZINC000277170075 497763915 /nfs/dbraw/zinc/76/39/15/497763915.db2.gz RVSZFXNHBPFPHF-OAHLLOKOSA-N 2 0 369.347 3.063 20 0 FGADRP C[C@H](CC(=O)Nc1cccc(F)c1)[NH2+]CCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000246825614 497813975 /nfs/dbraw/zinc/81/39/75/497813975.db2.gz AEZNJUXZZSOCFY-IKGGRYGDSA-N 2 0 365.493 3.022 20 0 FGADRP Cc1ccc(C)c(OC[C@H](O)C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1C ZINC000246874000 497817992 /nfs/dbraw/zinc/81/79/92/497817992.db2.gz QEPAVTBGQSNNJQ-NNWRFLSQSA-N 2 0 372.553 3.300 20 0 FGADRP CC[N@@H+]1CC[C@H]([NH2+][C@H]2CCN(c3cc(Cl)ccc3OC)C2)[C@@H](C)C1 ZINC000246890838 497819022 /nfs/dbraw/zinc/81/90/22/497819022.db2.gz DSLCRAKKAWISNO-XIRDDKMYSA-N 2 0 351.922 3.247 20 0 FGADRP C[C@H]1CCC[N@H+](CCCCNC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)C1 ZINC000246904486 497819539 /nfs/dbraw/zinc/81/95/39/497819539.db2.gz HCMWNKDSFLNFAD-ZWKOTPCHSA-N 2 0 354.583 3.164 20 0 FGADRP C[NH+]1CCC(O)(C[NH2+][C@@H]2CCC[C@@H]2c2cccc(C(F)(F)F)c2)CC1 ZINC000284548361 497825121 /nfs/dbraw/zinc/82/51/21/497825121.db2.gz XVNPTCCIGBQDCT-IAGOWNOFSA-N 2 0 356.432 3.388 20 0 FGADRP Cc1cc(C)cc(NC(=[NH2+])NC[C@@H]2CCC[N@H+](C)[C@H]2c2cnn(C)c2)c1 ZINC000364268989 497871826 /nfs/dbraw/zinc/87/18/26/497871826.db2.gz YDNNKPWCZVYFKV-QFBILLFUSA-N 2 0 354.502 3.056 20 0 FGADRP COc1cccc2c1ncc(C)c2N1CCC[N@@H+](C2CCOCC2)CC1 ZINC000364278250 497875592 /nfs/dbraw/zinc/87/55/92/497875592.db2.gz CGKAIFNUQPOIJA-UHFFFAOYSA-N 2 0 355.482 3.243 20 0 FGADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H](C[C@H]1CCOC1)c1ccc(F)cc1 ZINC000292130265 497890682 /nfs/dbraw/zinc/89/06/82/497890682.db2.gz LMKHXCYQICROED-NSISKUIASA-N 2 0 352.494 3.240 20 0 FGADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+]CCS(=O)(=O)C(C)(C)C)CC1 ZINC000281054364 498002075 /nfs/dbraw/zinc/00/20/75/498002075.db2.gz RCAZNYAVZKYCDP-UHFFFAOYSA-N 2 0 366.571 3.233 20 0 FGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](c1ccc(OC(C)C)cc1)[NH+](C)C ZINC000581329767 505962514 /nfs/dbraw/zinc/96/25/14/505962514.db2.gz FBNBBAWCXSAUSD-WOJBJXKFSA-N 2 0 361.530 3.067 20 0 FGADRP CN(C(=O)NCc1ccc(C[NH+]2CCCC2)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000289071473 498003826 /nfs/dbraw/zinc/00/38/26/498003826.db2.gz MZGZNZCHIGECPZ-WCRBZPEASA-N 2 0 370.541 3.049 20 0 FGADRP COc1ccc([C@H](C[NH+](C)C)NC(=O)Nc2cccc(C[NH+](C)C)c2)cc1 ZINC000285144718 498005955 /nfs/dbraw/zinc/00/59/55/498005955.db2.gz JTAXKSBTJDJQAC-FQEVSTJZSA-N 2 0 370.497 3.181 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)NC[C@H]1CCC[C@H]([NH3+])C1 ZINC000575351900 505966841 /nfs/dbraw/zinc/96/68/41/505966841.db2.gz JWAARCRRCJKAIS-LQWHRVPQSA-N 2 0 372.557 3.378 20 0 FGADRP O[C@@H](C[NH2+]C1CCN(CCC(F)(F)F)CC1)c1ccc(Cl)cc1 ZINC000292510361 498042931 /nfs/dbraw/zinc/04/29/31/498042931.db2.gz DAQSKFNJVXBSKK-HNNXBMFYSA-N 2 0 350.812 3.380 20 0 FGADRP O=C(CCN1CCCC[C@H]1[C@H]1CCC[NH2+]1)Nc1ccc(Cl)cc1F ZINC000572467982 505975914 /nfs/dbraw/zinc/97/59/14/505975914.db2.gz RMLFKYQVPFQXPZ-SJORKVTESA-N 2 0 353.869 3.414 20 0 FGADRP CC[NH+](CC)CCOc1ccc(C[NH2+]Cc2cnc([C@H](C)O)s2)cc1 ZINC000289354771 498116923 /nfs/dbraw/zinc/11/69/23/498116923.db2.gz XWVHZHLAVMKCED-HNNXBMFYSA-N 2 0 363.527 3.207 20 0 FGADRP C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)[C@H](C[NH3+])c2ccccc2)CC1 ZINC000572486951 505981481 /nfs/dbraw/zinc/98/14/81/505981481.db2.gz QMLJUVFSONDCEB-GHTZIAJQSA-N 2 0 357.542 3.232 20 0 FGADRP COc1ccc(C[NH+]2CCC(C[NH+]3CCN(C)CC3)CC2)c2ccccc12 ZINC000289420842 498139642 /nfs/dbraw/zinc/13/96/42/498139642.db2.gz JCYVTNMTJLMMAZ-UHFFFAOYSA-N 2 0 367.537 3.308 20 0 FGADRP C[C@H]([NH2+]C1CCN(c2nccs2)CC1)c1cccc(OCC[NH+](C)C)c1 ZINC000281463312 498158965 /nfs/dbraw/zinc/15/89/65/498158965.db2.gz DWZHLVMXFUCFBA-INIZCTEOSA-N 2 0 374.554 3.403 20 0 FGADRP CN1CC[NH+](CC2CC[NH+](Cc3ccccc3C(F)(F)F)CC2)CC1 ZINC000289488469 498165479 /nfs/dbraw/zinc/16/54/79/498165479.db2.gz RIPZSLITCIYESB-UHFFFAOYSA-N 2 0 355.448 3.165 20 0 FGADRP C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]([NH3+])C(C)(C)C)[C@@H]1c1cccc(Cl)c1 ZINC000364853526 498174599 /nfs/dbraw/zinc/17/45/99/498174599.db2.gz ZVIXKSWSHXQPNP-HYVNUMGLSA-N 2 0 351.922 3.213 20 0 FGADRP C[C@H](c1cc2ccccc2o1)N(C)C(=O)CN1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000292868226 498176374 /nfs/dbraw/zinc/17/63/74/498176374.db2.gz CYUXMOMRLCWLKE-VGSWGCGISA-N 2 0 369.509 3.370 20 0 FGADRP c1cncc(CC[NH+]2CCCC3(CCC[N@@H+](CCc4cccnc4)C3)C2)c1 ZINC000289570538 498198953 /nfs/dbraw/zinc/19/89/53/498198953.db2.gz VPQNVOMNGQYNEY-UHFFFAOYSA-N 2 0 364.537 3.440 20 0 FGADRP O[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+][C@@H]2CCCc3nc(Cl)ccc32)CC1 ZINC000296907022 498246563 /nfs/dbraw/zinc/24/65/63/498246563.db2.gz PFNQDVUNKDTFGO-BHIYHBOVSA-N 2 0 363.933 3.470 20 0 FGADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](CCC(=O)Nc3cccc(C(F)(F)F)c3)C[C@@H]21 ZINC000575803054 506008992 /nfs/dbraw/zinc/00/89/92/506008992.db2.gz ATPFVVFNCJADCX-VBNZEHGJSA-N 2 0 355.404 3.093 20 0 FGADRP COc1ccc([C@@H](C)[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)c(C)c1OC ZINC000286060147 498281322 /nfs/dbraw/zinc/28/13/22/498281322.db2.gz LIFSFSRSWSBLRN-SJORKVTESA-N 2 0 362.514 3.164 20 0 FGADRP COc1ccc(F)c(CNc2ccc(N3CCC([NH+](C)C)CC3)cn2)c1 ZINC000293138292 498282708 /nfs/dbraw/zinc/28/27/08/498282708.db2.gz CQLWUIOMNOSEFE-UHFFFAOYSA-N 2 0 358.461 3.372 20 0 FGADRP Cc1cc([C@@H](C)N[C@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)nn1C ZINC000281974130 498341125 /nfs/dbraw/zinc/34/11/25/498341125.db2.gz BQFDFXIFFRLDBA-HZPDHXFCSA-N 2 0 359.493 3.031 20 0 FGADRP CCCc1cc(N2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)c2ccccc2[nH+]1 ZINC000301968391 498348378 /nfs/dbraw/zinc/34/83/78/498348378.db2.gz PKLHDJAUXJZHPQ-FQEVSTJZSA-N 2 0 366.509 3.106 20 0 FGADRP CN(C)C(=O)c1ccc(CN2CCC[C@@H]([N@H+](C)Cc3ccccc3)CC2)[nH]1 ZINC000361154315 498352280 /nfs/dbraw/zinc/35/22/80/498352280.db2.gz PRKAVQPBUSXOAA-HXUWFJFHSA-N 2 0 368.525 3.203 20 0 FGADRP O[C@H](C[NH2+]C1CC[NH+](CC2CC2)CC1)COc1c(Cl)cccc1Cl ZINC000575862181 506020520 /nfs/dbraw/zinc/02/05/20/506020520.db2.gz WBIYQFQACVXPLN-OAHLLOKOSA-N 2 0 373.324 3.197 20 0 FGADRP COc1ccc(CC[C@@H](C)[NH2+]C[C@@H]2CCN(C)[C@H]2c2cccnc2)cc1O ZINC000365244826 498370839 /nfs/dbraw/zinc/37/08/39/498370839.db2.gz UJIWEPOJAKWDQD-WVBUVRCRSA-N 2 0 369.509 3.400 20 0 FGADRP Cc1cc([C@H](C)[NH2+][C@H](C)CN2CC[NH+](C)CC2)sc1Br ZINC000286456484 498403076 /nfs/dbraw/zinc/40/30/76/498403076.db2.gz KEBHGTRGOICFHV-OLZOCXBDSA-N 2 0 360.365 3.106 20 0 FGADRP FC(F)(F)c1cccc(OCC[NH2+]C2CCN(c3cc[nH+]cc3)CC2)n1 ZINC000297327831 498406765 /nfs/dbraw/zinc/40/67/65/498406765.db2.gz CPSISIMQLQABPN-UHFFFAOYSA-N 2 0 366.387 3.133 20 0 FGADRP Cc1nc(CN2CCC(C[NH2+][C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)CC2)oc1C ZINC000578846615 506035097 /nfs/dbraw/zinc/03/50/97/506035097.db2.gz LFRDXAQXBVQXHA-XUVXKRRUSA-N 2 0 360.546 3.014 20 0 FGADRP Cc1nn(-c2ccccn2)c(Cl)c1CN1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000293662726 498446065 /nfs/dbraw/zinc/44/60/65/498446065.db2.gz NYKDJCYSBUHXPC-LJQANCHMSA-N 2 0 359.905 3.147 20 0 FGADRP COc1cc(C[NH2+]CCCCC[NH+]2CCCC2)ccc1OC(=O)C1CC1 ZINC000293695259 498457025 /nfs/dbraw/zinc/45/70/25/498457025.db2.gz QZJQXQWCNALWGS-UHFFFAOYSA-N 2 0 360.498 3.366 20 0 FGADRP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2cccc(I)c2)C1 ZINC000302502419 498495888 /nfs/dbraw/zinc/49/58/88/498495888.db2.gz ALJXGFGBKNOVBT-AWEZNQCLSA-N 2 0 358.267 3.111 20 0 FGADRP CCOc1c(OC)cc(C[N@@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)cc1OC ZINC000290338285 498515135 /nfs/dbraw/zinc/51/51/35/498515135.db2.gz FGDLSXQIHAYEOP-GOSISDBHSA-N 2 0 362.514 3.266 20 0 FGADRP CC(=O)N1CCCN(C[C@H]2CCC[N@H+](C[C@@H]3CCCC(C)(C)C3)C2)CC1 ZINC000569917151 506046527 /nfs/dbraw/zinc/04/65/27/506046527.db2.gz WPYCKKHUYAOZLO-NHCUHLMSSA-N 2 0 363.590 3.469 20 0 FGADRP C(CC[N@@H+]1CC[C@@H](C2CCOCC2)C1)C[NH+]1CC[C@@H](C2CCOCC2)C1 ZINC000362774561 498551500 /nfs/dbraw/zinc/55/15/00/498551500.db2.gz LMFHPMPXRUFXOB-FGZHOGPDSA-N 2 0 364.574 3.264 20 0 FGADRP OC[C@@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+][C@@H]1CCCC12CCOCC2 ZINC000282673157 498605961 /nfs/dbraw/zinc/60/59/61/498605961.db2.gz JFWXOFMRVFFVBS-LEWJYISDSA-N 2 0 358.526 3.082 20 0 FGADRP FC(F)(F)c1ccn([C@H]2CCC[N@H+](Cc3ccc4c(c3)C[NH2+]CC4)C2)n1 ZINC000576046568 506064061 /nfs/dbraw/zinc/06/40/61/506064061.db2.gz UCGJRCKKKMBVIN-KRWDZBQOSA-N 2 0 364.415 3.385 20 0 FGADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)NC[C@@]2([NH+](C)C)CCC[C@@H](C)C2)C1 ZINC000302937367 498631163 /nfs/dbraw/zinc/63/11/63/498631163.db2.gz ASABJMXLXIWZOM-SFHLNBCPSA-N 2 0 366.594 3.308 20 0 FGADRP C[C@@H]1[C@H]([NH2+]C2CCN(CC(F)(F)F)CC2)CCN1Cc1ccccc1 ZINC000287131826 498641724 /nfs/dbraw/zinc/64/17/24/498641724.db2.gz ACNZLWMBLWVXRE-CRAIPNDOSA-N 2 0 355.448 3.266 20 0 FGADRP CC(C)C[C@@H](C[NH+](C)C)NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000303078236 498646721 /nfs/dbraw/zinc/64/67/21/498646721.db2.gz SHBWJSXZIIGVQO-QUCCMNQESA-N 2 0 363.521 3.130 20 0 FGADRP C[C@H]1CC[NH2+][C@@H](C(=O)Nc2nc3c(s2)CN(Cc2ccccc2)CC3)C1 ZINC000578992877 506069270 /nfs/dbraw/zinc/06/92/70/506069270.db2.gz VJTYAPSSLZBVLF-WMLDXEAASA-N 2 0 370.522 3.028 20 0 FGADRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)C1 ZINC000303316230 498664318 /nfs/dbraw/zinc/66/43/18/498664318.db2.gz SHYOQBQEFHFOOS-RTBURBONSA-N 2 0 364.578 3.157 20 0 FGADRP C[C@H](CNC(=O)NCC(C)(C)[N@@H+]1CCC[C@H](C)C1)[NH+](C)Cc1ccccc1 ZINC000303461425 498676878 /nfs/dbraw/zinc/67/68/78/498676878.db2.gz LPGZXOCCBITRLX-RBUKOAKNSA-N 2 0 374.573 3.317 20 0 FGADRP CC1CC[NH+](CCc2cccc(NC(=O)N3CC[C@H]([NH3+])[C@H](C)C3)c2)CC1 ZINC000570027102 506072406 /nfs/dbraw/zinc/07/24/06/506072406.db2.gz SXZCXMUIOLKXIT-XLIONFOSSA-N 2 0 358.530 3.162 20 0 FGADRP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1ccn2ccnc2c1 ZINC000290844270 498697604 /nfs/dbraw/zinc/69/76/04/498697604.db2.gz YXBVFWYDRHSAHF-SFHVURJKSA-N 2 0 363.465 3.320 20 0 FGADRP Cc1nn(-c2ccccn2)c(C)c1C[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000282903977 498703779 /nfs/dbraw/zinc/70/37/79/498703779.db2.gz ZCUAFWULGWKRSS-UHFFFAOYSA-N 2 0 355.530 3.438 20 0 FGADRP CC(C)C[C@H](NC(=O)C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1)c1ccccc1 ZINC000570045376 506076708 /nfs/dbraw/zinc/07/67/08/506076708.db2.gz BIOBNNRUDGBCRK-SFTDATJTSA-N 2 0 357.542 3.212 20 0 FGADRP COc1cc2[nH+]ccc(NC3CC[NH+](C[C@H]4CCOC4)CC3)c2cc1OC ZINC000298241238 498707246 /nfs/dbraw/zinc/70/72/46/498707246.db2.gz LWQVJFBCEXRMPT-OAHLLOKOSA-N 2 0 371.481 3.165 20 0 FGADRP CC(C)[C@H](CNC(=O)Nc1ccc2c(c1)C[NH2+]CC2)[NH+]1CCC(C)CC1 ZINC000576131944 506084123 /nfs/dbraw/zinc/08/41/23/506084123.db2.gz WKZPYGUCYXRYNF-FQEVSTJZSA-N 2 0 358.530 3.210 20 0 FGADRP Cc1nc2ccccc2n1CCCNC(=O)N1CC[C@@H]([NH+]2CCCC2)[C@@H]1C ZINC000287324418 498716962 /nfs/dbraw/zinc/71/69/62/498716962.db2.gz XTBSUTSNAFAWCZ-QFBILLFUSA-N 2 0 369.513 3.003 20 0 FGADRP FC(F)(F)COCCC[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000311213780 498750732 /nfs/dbraw/zinc/75/07/32/498750732.db2.gz LYDUMKGPHJPSOR-ROUUACIJSA-N 2 0 356.432 3.409 20 0 FGADRP CC[NH+](CC)CCN(CC(C)C)C(=O)C1CC[NH+](Cc2cccnc2)CC1 ZINC000363300479 498751400 /nfs/dbraw/zinc/75/14/00/498751400.db2.gz VAVRTKYYOHSCPO-UHFFFAOYSA-N 2 0 374.573 3.120 20 0 FGADRP COc1ccc([C@@H](CNC2CC[NH+](C3CC3)CC2)[NH+]2CCCCC2)cc1 ZINC000298385797 498753427 /nfs/dbraw/zinc/75/34/27/498753427.db2.gz LEWSWEVGJXTQSL-JOCHJYFZSA-N 2 0 357.542 3.439 20 0 FGADRP c1ccc(C[N@H+]2CC[C@H](C[NH2+]C3CCN(c4cc[nH+]cc4)CC3)C2)cc1 ZINC000311798417 498753483 /nfs/dbraw/zinc/75/34/83/498753483.db2.gz NCBLKKBRPKNCLE-HXUWFJFHSA-N 3 0 350.510 3.162 20 0 FGADRP c1ccc(C[N@H+]2CC[C@@H](C[NH2+]C3CCN(c4cc[nH+]cc4)CC3)C2)cc1 ZINC000311798414 498754909 /nfs/dbraw/zinc/75/49/09/498754909.db2.gz NCBLKKBRPKNCLE-FQEVSTJZSA-N 3 0 350.510 3.162 20 0 FGADRP COC(=O)c1ccc(C[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)cc1 ZINC000313115928 498765214 /nfs/dbraw/zinc/76/52/14/498765214.db2.gz ZSEVLTPXKUEDOQ-BHDDXSALSA-N 2 0 364.489 3.473 20 0 FGADRP C[C@H]1C[N@H+](CCCN[C@@H]2CC[NH+](Cc3ccccc3)C3(CC3)C2)CCCO1 ZINC000570091763 506088327 /nfs/dbraw/zinc/08/83/27/506088327.db2.gz IGSSFQUEBHHNSA-RBBKRZOGSA-N 2 0 371.569 3.274 20 0 FGADRP Cc1cccc(C(C)C)c1NC(=O)CN1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1 ZINC000363413895 498807502 /nfs/dbraw/zinc/80/75/02/498807502.db2.gz IJPSMMHGPHMGIJ-HOJAQTOUSA-N 2 0 355.526 3.473 20 0 FGADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]CCCCCNC(=O)OCc1ccccc1 ZINC000287643918 498823423 /nfs/dbraw/zinc/82/34/23/498823423.db2.gz USMNTJQGVLKRIV-GGPKGHCWSA-N 2 0 361.530 3.401 20 0 FGADRP OC[C@@H]1CCN(Cc2ccccc2)C[C@H]1[NH2+]C/C=C\c1ccc(F)cc1 ZINC000573019818 506100642 /nfs/dbraw/zinc/10/06/42/506100642.db2.gz MVMXCYUEFLKYJL-JXIMZPAUSA-N 2 0 354.469 3.312 20 0 FGADRP C[N@H+](Cc1cc2ccccc2[nH]c1=O)C1CC[NH+](C2CCOCC2)CC1 ZINC000363507969 498853134 /nfs/dbraw/zinc/85/31/34/498853134.db2.gz FVOBUMWYGUJOAG-UHFFFAOYSA-N 2 0 355.482 3.016 20 0 FGADRP C[N@@H+]1CC[C@H](CNC(=O)[C@@H]([NH3+])Cc2ccccc2)[C@H]1c1cccc(Cl)c1 ZINC000366326775 498875951 /nfs/dbraw/zinc/87/59/51/498875951.db2.gz FTOLKAHZQXASPJ-YZGWKJHDSA-N 2 0 371.912 3.019 20 0 FGADRP c1cn(-c2csc(C[NH+]3CCC(OCC[NH+]4CCCC4)CC3)c2)cn1 ZINC000582028606 506116167 /nfs/dbraw/zinc/11/61/67/506116167.db2.gz YUHOEFRCLJKZOP-UHFFFAOYSA-N 2 0 360.527 3.011 20 0 FGADRP CCCOc1c(Br)cc(C[NH2+][C@@H](C)C[C@H](C)[NH3+])cc1OC ZINC000576280186 506119880 /nfs/dbraw/zinc/11/98/80/506119880.db2.gz WAFBTIKNMVWZHI-RYUDHWBXSA-N 2 0 359.308 3.462 20 0 FGADRP C[N@@H+]1CC[C@@]2(CC[NH+](CCC3CCN(C(=O)OC(C)(C)C)CC3)C2)C1 ZINC000366532839 498968005 /nfs/dbraw/zinc/96/80/05/498968005.db2.gz TWQDKLOEIVSDKT-HXUWFJFHSA-N 2 0 351.535 3.051 20 0 FGADRP C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH3+])C1)c1ccc(Br)cc1OCCCO ZINC000573106518 506120342 /nfs/dbraw/zinc/12/03/42/506120342.db2.gz LEJANZZRZNHUEJ-NWANDNLSSA-N 2 0 371.319 3.131 20 0 FGADRP CSc1ccc([C@H](C)[NH2+][C@@H]2CCN(C3CC[NH+](C)CC3)C2)cc1F ZINC000363782533 498988867 /nfs/dbraw/zinc/98/88/67/498988867.db2.gz IBKIIOIELOFVAQ-GOEBONIOSA-N 2 0 351.535 3.367 20 0 FGADRP C[C@@H](c1ccccc1)N1CC[C@@H]([NH2+]C2CCN(CC(F)(F)F)CC2)C1 ZINC000363810686 499004055 /nfs/dbraw/zinc/00/40/55/499004055.db2.gz CRPXUUKYYGQSAO-MAUKXSAKSA-N 2 0 355.448 3.438 20 0 FGADRP C[C@H]1CN(Cc2ccccc2NC(=O)c2ccc3c[nH+]cn3c2)C[C@H](C)O1 ZINC000283925526 499013708 /nfs/dbraw/zinc/01/37/08/499013708.db2.gz JIELHDJKODDCNL-HOTGVXAUSA-N 2 0 364.449 3.196 20 0 FGADRP CCc1nn(C)c(CC)c1C[NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000283980475 499023803 /nfs/dbraw/zinc/02/38/03/499023803.db2.gz LMLRQXGLSUDFIE-UHFFFAOYSA-N 2 0 370.541 3.308 20 0 FGADRP CC(C)[C@H](Cn1cccn1)[NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000284042235 499036278 /nfs/dbraw/zinc/03/62/78/499036278.db2.gz LVBUCGRHKSAKNX-NRFANRHFSA-N 2 0 356.514 3.171 20 0 FGADRP CSC1(C[NH+]2CCN([C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)CCC1 ZINC000291705758 499041665 /nfs/dbraw/zinc/04/16/65/499041665.db2.gz ZJBTUWXFXMKWTF-HXUWFJFHSA-N 2 0 359.583 3.164 20 0 FGADRP CC(C)[C@@H](CNC(=O)N1C[C@@H]([NH+]2CCCC2)C[C@@H]1C)[NH+]1CCC(C)CC1 ZINC000582079883 506128701 /nfs/dbraw/zinc/12/87/01/506128701.db2.gz DDBGCBFPBCGYAN-SLFFLAALSA-N 2 0 364.578 3.011 20 0 FGADRP C[NH+]1CCC(Oc2ccc(C[NH2+]Cc3ccc4c(c3)OCCO4)cc2)CC1 ZINC000284193457 499066450 /nfs/dbraw/zinc/06/64/50/499066450.db2.gz YLECAAAYSUHAOD-UHFFFAOYSA-N 2 0 368.477 3.221 20 0 FGADRP C[NH+](C)CCOc1ccc(CC[NH2+]Cc2cnc(C(C)(C)C)nc2)cc1 ZINC000284206215 499068482 /nfs/dbraw/zinc/06/84/82/499068482.db2.gz BZKQRFYSVRKOSP-UHFFFAOYSA-N 2 0 356.514 3.047 20 0 FGADRP Cc1ccc([C@H]([NH3+])C(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)cc1 ZINC000366819498 499083659 /nfs/dbraw/zinc/08/36/59/499083659.db2.gz GJWQTZCTIFSQDU-YTQUADARSA-N 2 0 357.523 3.256 20 0 FGADRP C[NH+]1CCC2(CCC[N@H+](CC(=O)Nc3ccc(N4CCCC4)cc3)C2)CC1 ZINC000366868605 499100818 /nfs/dbraw/zinc/10/08/18/499100818.db2.gz YRLFWRNLHIBFNO-UHFFFAOYSA-N 2 0 370.541 3.033 20 0 FGADRP CCCN(CCC[NH+](C)C)C(=O)NC[C@H]1CC[N@H+](C)[C@H]1c1cccs1 ZINC000364051644 499101003 /nfs/dbraw/zinc/10/10/03/499101003.db2.gz KUEWVQNPEOMOOQ-SJLPKXTDSA-N 2 0 366.575 3.114 20 0 FGADRP C[N@@H+]1CCC[C@@H](CNC(=O)Nc2ccc(C[NH3+])cc2)[C@@H]1c1cccs1 ZINC000576328709 506132069 /nfs/dbraw/zinc/13/20/69/506132069.db2.gz CTZNHRGHTSGRCR-MAUKXSAKSA-N 2 0 358.511 3.411 20 0 FGADRP Cc1c(-c2cc(C[NH+]3CCC(C[NH+]4CCC(C)CC4)CC3)on2)cnn1C ZINC000372516008 499137356 /nfs/dbraw/zinc/13/73/56/499137356.db2.gz XAXMIUZTEHZYGU-UHFFFAOYSA-N 2 0 371.529 3.327 20 0 FGADRP COc1ccc2c(c1)[C@@H](C)C[N@@H+](CCCN1CC[NH+](C(C)C)CC1)CC2 ZINC000367043393 499138698 /nfs/dbraw/zinc/13/86/98/499138698.db2.gz PWBBFIMYXDEUIP-IBGZPJMESA-N 2 0 359.558 3.073 20 0 FGADRP C[C@@H]1CCCC[C@H]1[NH+]1CCC(N[C@H]2CCCO[C@@H]2c2nccn2C)CC1 ZINC000372537285 499141989 /nfs/dbraw/zinc/14/19/89/499141989.db2.gz BMUIGPMCDVQTHT-MDNKFWRPSA-N 2 0 360.546 3.273 20 0 FGADRP C[C@@H]([NH2+][C@@H]1CCN(CCN2CCOCC2)C1)c1ccc(Cl)cc1Cl ZINC000372779996 499174485 /nfs/dbraw/zinc/17/44/85/499174485.db2.gz IZYVSBGWHKNZNQ-GDBMZVCRSA-N 2 0 372.340 3.051 20 0 FGADRP C[C@H](c1nc(-c2cccnc2)no1)[NH+]1CCC2(C[C@H]2C[N@H+](C)C2CC2)CC1 ZINC000367308868 499177990 /nfs/dbraw/zinc/17/79/90/499177990.db2.gz FQGOTTXQZRPAFR-WBVHZDCISA-N 2 0 367.497 3.389 20 0 FGADRP CN1CCC([NH+]2CCC(CC[N@H+](C)CC[C@H](O)c3ccccc3)CC2)CC1 ZINC000367362147 499188378 /nfs/dbraw/zinc/18/83/78/499188378.db2.gz UWPUFTRMSBXDDS-QHCPKHFHSA-N 3 0 373.585 3.238 20 0 FGADRP C[C@H]1CCC[N@@H+]1C1CCN(CCC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000367551730 499211733 /nfs/dbraw/zinc/21/17/33/499211733.db2.gz AQVCDDUXALUWOJ-NRFANRHFSA-N 2 0 370.585 3.147 20 0 FGADRP CC(C)n1nccc1C[N@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000370478577 499224405 /nfs/dbraw/zinc/22/44/05/499224405.db2.gz VAGCQJNKKGTLKM-UHFFFAOYSA-N 2 0 361.578 3.092 20 0 FGADRP CCC[NH+]1CCC([NH2+][C@H]2CCN(Cc3cnc(C)s3)C[C@H]2C)CC1 ZINC000370619507 499236306 /nfs/dbraw/zinc/23/63/06/499236306.db2.gz AOTSFIHFMPJJLL-BEFAXECRSA-N 2 0 350.576 3.126 20 0 FGADRP COc1cc([C@H](C)[NH2+][C@@H]2CCN(C3CC[NH+](C)CC3)C2)ccc1SC ZINC000370635253 499238180 /nfs/dbraw/zinc/23/81/80/499238180.db2.gz OOPXFIVQIJLXNA-DOTOQJQBSA-N 2 0 363.571 3.236 20 0 FGADRP Cc1ncc([C@@H](C)[NH2+]CC2(N3CC[NH+](C)CC3)CCCCCC2)c(C)n1 ZINC000370646288 499239358 /nfs/dbraw/zinc/23/93/58/499239358.db2.gz ROWNMIUVANFHTA-QGZVFWFLSA-N 2 0 359.562 3.084 20 0 FGADRP C[N@@H+](Cc1nc(-c2ccco2)no1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000367887972 499241737 /nfs/dbraw/zinc/24/17/37/499241737.db2.gz WYMGNDHVTUUHGL-UHFFFAOYSA-N 2 0 353.426 3.073 20 0 FGADRP CCc1ccccc1NC(=O)C[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000367889039 499242069 /nfs/dbraw/zinc/24/20/69/499242069.db2.gz ZXFSBQUSWQJMOR-UHFFFAOYSA-N 2 0 366.509 3.431 20 0 FGADRP C[C@H]1C[N@H+](Cc2cccc(-c3cccnc3)c2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000370705833 499246218 /nfs/dbraw/zinc/24/62/18/499246218.db2.gz JOFWWFBXPGPUGM-WMZHIEFXSA-N 2 0 364.537 3.206 20 0 FGADRP CCC[NH+]1CCC([NH2+][C@@H]2CC23CCN(C(=O)OC(C)(C)C)CC3)CC1 ZINC000368047202 499259248 /nfs/dbraw/zinc/25/92/48/499259248.db2.gz SHFPCKYHLVLTJL-QGZVFWFLSA-N 2 0 351.535 3.240 20 0 FGADRP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000370844595 499261376 /nfs/dbraw/zinc/26/13/76/499261376.db2.gz DBUYYOSYXWLBGS-NRFANRHFSA-N 2 0 371.569 3.383 20 0 FGADRP COc1ccc([C@@H]2[C@@H](C[NH2+][C@H](C)C(C)(C)n3cncn3)CCCN2C)cc1 ZINC000368114918 499266028 /nfs/dbraw/zinc/26/60/28/499266028.db2.gz KMCLGCJVEJHZSP-YVWKXTFCSA-N 2 0 371.529 3.083 20 0 FGADRP COc1ccc2c(c1)OCCC[C@@H]2NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000368212644 499274379 /nfs/dbraw/zinc/27/43/79/499274379.db2.gz PHBBSWLIHGPGIX-HBMCJLEFSA-N 2 0 374.525 3.266 20 0 FGADRP Cc1ccc(C[NH+]2CCC(CNC(=O)CC3CC[NH+](C)CC3)CC2)cc1 ZINC000368257905 499279041 /nfs/dbraw/zinc/27/90/41/499279041.db2.gz IDDSUVPLSBTOQQ-UHFFFAOYSA-N 2 0 357.542 3.055 20 0 FGADRP CN1CCC([NH+]2CCC(CC[NH2+]Cc3cc(F)cc(F)c3)CC2)CC1 ZINC000371064407 499285511 /nfs/dbraw/zinc/28/55/11/499285511.db2.gz SJMGUSVZWHTNAQ-UHFFFAOYSA-N 2 0 351.485 3.251 20 0 FGADRP Cc1cc(C)cc(OCCC[N@@H+]2CCN(C3CC[NH+](C)CC3)[C@H](C)C2)c1 ZINC000368342316 499287088 /nfs/dbraw/zinc/28/70/88/499287088.db2.gz GILUZRDJAXFNFM-HXUWFJFHSA-N 2 0 359.558 3.173 20 0 FGADRP c1ccc2sc(N3CCC([NH2+][C@@H]4CC[N@@H+]5CCC[C@H]5C4)CC3)nc2c1 ZINC000371110534 499289420 /nfs/dbraw/zinc/28/94/20/499289420.db2.gz ZITYZYAJJKQHGJ-SJORKVTESA-N 2 0 356.539 3.482 20 0 FGADRP Cc1cccc(C(C)C)c1NC(=O)CN1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000371293580 499306755 /nfs/dbraw/zinc/30/67/55/499306755.db2.gz HAAOZYOHZNVPQO-DFQSSKMNSA-N 2 0 373.541 3.240 20 0 FGADRP COc1ccc2ccccc2c1C[N@@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000371337994 499312445 /nfs/dbraw/zinc/31/24/45/499312445.db2.gz XTHCSHHOYXASAY-HXUWFJFHSA-N 2 0 367.537 3.449 20 0 FGADRP c1cc(C[C@@H]2CC[NH+](CCC[N@@H+]3CC[C@H](Cc4ccncc4)C3)C2)ccn1 ZINC000368772773 499330672 /nfs/dbraw/zinc/33/06/72/499330672.db2.gz ACJIUDOMDVQNNH-ZRZAMGCNSA-N 2 0 364.537 3.296 20 0 FGADRP Cc1ncc(CN2CC[C@H]([NH2+]Cc3cnc4cccc(C)n34)[C@@H](C)C2)s1 ZINC000371884939 499375427 /nfs/dbraw/zinc/37/54/27/499375427.db2.gz WXEPHRVLZUOOOR-LIRRHRJNSA-N 2 0 369.538 3.408 20 0 FGADRP Cc1cccnc1[C@H]1CCC[C@@H]([NH2+]CC2CC[NH+](CCN(C)C)CC2)C1 ZINC000369194352 499376025 /nfs/dbraw/zinc/37/60/25/499376025.db2.gz OZEHHSKOXHZUDU-LEWJYISDSA-N 2 0 358.574 3.279 20 0 FGADRP C[C@H]([NH2+]CCc1cn2c(n1)CCCC2)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000372234384 499411495 /nfs/dbraw/zinc/41/14/95/499411495.db2.gz YCMDHUPDPDAHJU-AZUAARDMSA-N 3 0 352.526 3.262 20 0 FGADRP C[NH+](C)[C@H](Cc1ccccc1)C(=O)NC[C@H]1CC[N@H+](C)[C@H]1c1cccs1 ZINC000369571212 499420293 /nfs/dbraw/zinc/42/02/93/499420293.db2.gz VRCBMAQBFUGWIE-QWFCFKBJSA-N 2 0 371.550 3.030 20 0 FGADRP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)C[C@H]1CCC[NH2+]CC1 ZINC000372411753 499431441 /nfs/dbraw/zinc/43/14/41/499431441.db2.gz JILMMXJKMQOHRX-QRVBRYPASA-N 2 0 357.542 3.039 20 0 FGADRP Cn1ncc2c1CCC[C@@H]2[NH2+]C1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000373520929 499474679 /nfs/dbraw/zinc/47/46/79/499474679.db2.gz NBDOCVPNBGWOFM-XUJLQICISA-N 2 0 356.436 3.192 20 0 FGADRP C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@@H]1[NH2+]CCCCCC(=O)OC(C)(C)C ZINC000378182020 499488283 /nfs/dbraw/zinc/48/82/83/499488283.db2.gz FZFQAWXMKBLLNF-QRVBRYPASA-N 2 0 368.562 3.368 20 0 FGADRP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[C@@H](C)C2CC[NH2+]CC2)CC1 ZINC000378202848 499490116 /nfs/dbraw/zinc/49/01/16/499490116.db2.gz OYCRDJZPLQDEER-LJQANCHMSA-N 2 0 357.542 3.055 20 0 FGADRP CC1(C[NH+]2CCOCC2)CCN(Cc2coc(-c3cccs3)n2)CC1 ZINC000378277032 499497158 /nfs/dbraw/zinc/49/71/58/499497158.db2.gz KKJCNJLQPMDAFP-UHFFFAOYSA-N 2 0 361.511 3.337 20 0 FGADRP c1ccc(CN2CCCO[C@H](C[NH+]3CCC4(CCOCC4)CC3)C2)cc1 ZINC000375272579 499501647 /nfs/dbraw/zinc/50/16/47/499501647.db2.gz QDPLEXGNQXWRJV-OAQYLSRUSA-N 2 0 358.526 3.170 20 0 FGADRP C[NH+](C)Cc1cccc(C(=O)N2CCC3(C[C@@H]3C[N@H+](C)C3CC3)CC2)c1 ZINC000378351550 499505609 /nfs/dbraw/zinc/50/56/09/499505609.db2.gz AGLPHTUHAREKBE-LJQANCHMSA-N 2 0 355.526 3.085 20 0 FGADRP Cc1cn2c(n1)CC[C@H]([NH2+][C@H]1CC3(CC[NH+](C)CC3)Oc3ccccc31)C2 ZINC000378440851 499516997 /nfs/dbraw/zinc/51/69/97/499516997.db2.gz CWGYCRREDZLTQM-HKUYNNGSSA-N 2 0 366.509 3.084 20 0 FGADRP CN1c2ccc(C[NH2+]C[C@H]3CC[N@H+](Cc4ccccc4)C3)cc2CCC1=O ZINC000375691955 499545684 /nfs/dbraw/zinc/54/56/84/499545684.db2.gz KOISEUOXRBLTRX-HXUWFJFHSA-N 2 0 363.505 3.207 20 0 FGADRP Cc1ncc2c(n1)CC[C@@H]([NH2+][C@H]1C[C@H]3CC[C@@H](C1)[N@H+]3Cc1ccccc1)C2 ZINC000375713160 499548278 /nfs/dbraw/zinc/54/82/78/499548278.db2.gz WVIOQPYVQKWAFJ-YUMYIRISSA-N 2 0 362.521 3.428 20 0 FGADRP COc1ccc(C2(C[NH2+][C@@H]3CC[N@H+](C)[C@H]4CCC[C@@H]43)CCOCC2)cc1 ZINC000375847439 499561841 /nfs/dbraw/zinc/56/18/41/499561841.db2.gz AZMVETFYQXEDHG-NJYVYQBISA-N 2 0 358.526 3.206 20 0 FGADRP COC(=O)c1cnc([C@@H](C)[NH2+]CC2CC[NH+](Cc3ccccc3)CC2)s1 ZINC000397510694 499564444 /nfs/dbraw/zinc/56/44/44/499564444.db2.gz NCXBRMAONCEGJJ-OAHLLOKOSA-N 2 0 373.522 3.493 20 0 FGADRP Cn1c2ccccc2nc1CC[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000376179234 499589088 /nfs/dbraw/zinc/58/90/88/499589088.db2.gz YTMXYBMHTJQAHT-UHFFFAOYSA-N 2 0 363.509 3.359 20 0 FGADRP COc1cccc(-c2noc(CN[C@@H](C)[C@@H]3CCC[N@@H+](C4CCC4)C3)n2)c1 ZINC000376305816 499599207 /nfs/dbraw/zinc/59/92/07/499599207.db2.gz KHSTVKCNQCXRKY-DOTOQJQBSA-N 2 0 370.497 3.488 20 0 FGADRP C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000376705178 499630673 /nfs/dbraw/zinc/63/06/73/499630673.db2.gz DOKAOGIEIRKTRK-FXAWDEMLSA-N 2 0 362.562 3.052 20 0 FGADRP Cc1ccccc1NC1CC[NH+](CCCN2CC[NH+](C(C)C)CC2)CC1 ZINC000376738190 499633406 /nfs/dbraw/zinc/63/34/06/499633406.db2.gz CVCZYGBIRFXPJG-UHFFFAOYSA-N 2 0 358.574 3.287 20 0 FGADRP CC(C)(C)OC(=O)N1CCC[C@H]1[C@@H]1CCC[N@H+](CCCn2ccnc2)C1 ZINC000376854109 499640936 /nfs/dbraw/zinc/64/09/36/499640936.db2.gz GWXSYMFPDRKONK-MSOLQXFVSA-N 2 0 362.518 3.385 20 0 FGADRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)C[C@@H]1CCCC[C@H]1[NH3+] ZINC000573253846 506154648 /nfs/dbraw/zinc/15/46/48/506154648.db2.gz GQMXJIATOGIQEF-HFKUYRRBSA-N 2 0 357.542 3.167 20 0 FGADRP C[N@H+](C[C@H]1CC12CC[NH+]([C@@H]1CCc3ccccc3NC1=O)CC2)C1CC1 ZINC000377307405 499678521 /nfs/dbraw/zinc/67/85/21/499678521.db2.gz IOTBCMVOHVLUNK-YLJYHZDGSA-N 2 0 353.510 3.136 20 0 FGADRP C[NH+](C)Cc1ccccc1C(=O)N1C[C@@H]2C[N@H+](C)[C@H](c3ccccc3)[C@@H]2C1 ZINC000377320074 499679591 /nfs/dbraw/zinc/67/95/91/499679591.db2.gz GSEONSPDRFIWBY-KSEOMHKRSA-N 2 0 363.505 3.123 20 0 FGADRP Cc1nccn1-c1ccc([C@H](C)[N@@H+]2CCCC[C@@H]2[C@@H]2CNC(=O)C2)cc1 ZINC000377550179 499703647 /nfs/dbraw/zinc/70/36/47/499703647.db2.gz OCELXKRLEFRUBM-ZAAXVRCTSA-N 2 0 352.482 3.232 20 0 FGADRP COc1ccc(O)cc1[C@@H](C)[NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000377642729 499714398 /nfs/dbraw/zinc/71/43/98/499714398.db2.gz CBRVGBLZQVPNEU-QGZVFWFLSA-N 2 0 361.530 3.002 20 0 FGADRP COc1ccc2oc(CN3CCN(C4C[C@H]5CC[C@@H](C4)[N@H+]5C)CC3)cc2c1 ZINC000377692863 499720738 /nfs/dbraw/zinc/72/07/38/499720738.db2.gz GZIAZVOTMXZTMK-DFNIBXOVSA-N 2 0 369.509 3.184 20 0 FGADRP C[C@@H](CC[NH+](C)[C@@H]1CCN(C)[C@H](C)C1)CC[N@H+](C)[C@H]1CCN(C)[C@@H](C)C1 ZINC000411331414 499726465 /nfs/dbraw/zinc/72/64/65/499726465.db2.gz MMYCYJYKABSOMU-YUBLJMCLSA-N 2 0 366.638 3.232 20 0 FGADRP Cc1nnc([C@@H]2CCC[N@H+](Cc3ccc(C[NH+]4CCCCC4)cc3)C2)[nH]1 ZINC000411344659 499727943 /nfs/dbraw/zinc/72/79/43/499727943.db2.gz JFSRMPZEVFSSEF-HXUWFJFHSA-N 2 0 353.514 3.479 20 0 FGADRP c1cn(C[C@@H]2CCC[N@H+](Cc3ccc(C[NH+]4CCCCC4)cc3)C2)nn1 ZINC000411399970 499734537 /nfs/dbraw/zinc/73/45/37/499734537.db2.gz SMYUFQZUICBMTE-OAQYLSRUSA-N 2 0 353.514 3.176 20 0 FGADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1csc(-c2ccccc2)n1 ZINC000414147195 499764232 /nfs/dbraw/zinc/76/42/32/499764232.db2.gz WANGFDTYMFTBRI-IRXDYDNUSA-N 2 0 358.555 3.487 20 0 FGADRP CC[C@]1(CO)CCC[NH+](CCC(C)CC[N@H+]2CCC[C@](CC)(CO)C2)C1 ZINC000411573187 499764781 /nfs/dbraw/zinc/76/47/81/499764781.db2.gz SLTOUKZYXWTMOY-VXKWHMMOSA-N 2 0 368.606 3.372 20 0 FGADRP COc1cccc2c1C[C@@H]([NH2+][C@H](C)c1ccc(OCC[NH+](C)C)cc1)C2 ZINC000414190746 499767207 /nfs/dbraw/zinc/76/72/07/499767207.db2.gz ROACXSQFOLQZKL-APWZRJJASA-N 2 0 354.494 3.454 20 0 FGADRP C[C@H]([NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1)c1ccc(C(C)(C)C)cc1 ZINC000414191203 499767481 /nfs/dbraw/zinc/76/74/81/499767481.db2.gz LETOUYXTDGBJPJ-IBGZPJMESA-N 2 0 373.585 3.431 20 0 FGADRP C[C@H]([NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1)c1cccc2ccccc21 ZINC000414195234 499767941 /nfs/dbraw/zinc/76/79/41/499767941.db2.gz NWAPGIQTGATIAB-IBGZPJMESA-N 2 0 367.537 3.287 20 0 FGADRP CCc1ccc([C@H](C)[NH2+]Cc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)o1 ZINC000414323342 499777614 /nfs/dbraw/zinc/77/76/14/499777614.db2.gz IKRJVEVQUUXACH-INIZCTEOSA-N 2 0 369.509 3.390 20 0 FGADRP CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000414334072 499778487 /nfs/dbraw/zinc/77/84/87/499778487.db2.gz GBHQNMFRHMNUKG-CTNGQTDRSA-N 2 0 357.542 3.442 20 0 FGADRP CC(C)(C)[C@@H]1CC[C@@H]1[NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000414342938 499779268 /nfs/dbraw/zinc/77/92/68/499779268.db2.gz PVFIZMNKHWAHLG-UXHICEINSA-N 2 0 357.542 3.298 20 0 FGADRP CC[C@H]([NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1)C1CCCC1 ZINC000414349236 499780039 /nfs/dbraw/zinc/78/00/39/499780039.db2.gz YEWFHTAODFBSLY-NRFANRHFSA-N 2 0 357.542 3.442 20 0 FGADRP Cc1nn(-c2cccc(F)c2)cc1C[NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000414394081 499785801 /nfs/dbraw/zinc/78/58/01/499785801.db2.gz OVNDSTKPBVXNCW-IAGOWNOFSA-N 2 0 374.504 3.299 20 0 FGADRP O[C@@H]([C@H]1CC[N@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C1)C(F)(F)F ZINC000411793064 499791525 /nfs/dbraw/zinc/79/15/25/499791525.db2.gz BBIAUKWFPBNSNW-ROUUACIJSA-N 2 0 356.432 3.418 20 0 FGADRP CC(C)C[C@H](C[NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1)c1ccccc1 ZINC000414490810 499798835 /nfs/dbraw/zinc/79/88/35/499798835.db2.gz XXUSJSZEPBCUEN-JOCHJYFZSA-N 2 0 373.585 3.203 20 0 FGADRP C[C@H](C[NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1)c1ccccc1 ZINC000414558565 499809028 /nfs/dbraw/zinc/80/90/28/499809028.db2.gz SLYASXMURWYHRE-GOSISDBHSA-N 2 0 365.521 3.277 20 0 FGADRP C[N@H+](Cc1ccccc1NC(=O)N1CCCO[C@H](C[NH3+])C1)C1CCCCC1 ZINC000414716750 499822507 /nfs/dbraw/zinc/82/25/07/499822507.db2.gz SVKGAABVLHPYGK-LJQANCHMSA-N 2 0 374.529 3.033 20 0 FGADRP COCC[N@@H+](Cc1ccc(Br)s1)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414753805 499826846 /nfs/dbraw/zinc/82/68/46/499826846.db2.gz FEQCWPNSPINWBW-QWHCGFSZSA-N 2 0 361.349 3.347 20 0 FGADRP COCC[N@@H+](Cc1sccc1Br)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414756899 499827262 /nfs/dbraw/zinc/82/72/62/499827262.db2.gz ROMBADMDLPHNOI-CHWSQXEVSA-N 2 0 361.349 3.347 20 0 FGADRP CC[NH+](CC)CCOc1ccccc1NC(=O)N1CCCC[C@H]1[C@H](C)[NH3+] ZINC000414776819 499829917 /nfs/dbraw/zinc/82/99/17/499829917.db2.gz DHPAXEAHRTTZLD-WMZOPIPTSA-N 2 0 362.518 3.141 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)C1CC[NH+]([C@@H]2CCSC2)CC1)CC(C)C ZINC000412177042 499830863 /nfs/dbraw/zinc/83/08/63/499830863.db2.gz QWFVOANASMMXPQ-RTBURBONSA-N 2 0 369.619 3.077 20 0 FGADRP COc1ccc(Br)cc1C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000414788507 499831481 /nfs/dbraw/zinc/83/14/81/499831481.db2.gz WTVPPHCUVHPUAR-KBPBESRZSA-N 2 0 353.304 3.279 20 0 FGADRP COc1ccc(OC)c(NC(=O)C[C@H](C)[NH2+]Cc2ccc([C@@H](C)[NH3+])cc2)c1 ZINC000414806444 499833230 /nfs/dbraw/zinc/83/32/30/499833230.db2.gz BSZGTJUTGPVBHU-LSDHHAIUSA-N 2 0 371.481 3.230 20 0 FGADRP c1ccc(C[N@H+]2C[C@@H]3CC[C@@H](NCCC[NH2+]Cc4cccnc4)[C@H]3C2)cc1 ZINC000414886220 499841526 /nfs/dbraw/zinc/84/15/26/499841526.db2.gz VPXHKGHEUUGAGM-RJGXRXQPSA-N 2 0 364.537 3.062 20 0 FGADRP [NH3+]C[C@@H](NC1CC[NH+](Cc2cccnc2)CC1)c1ccc2ccccc2c1 ZINC000414945699 499847505 /nfs/dbraw/zinc/84/75/05/499847505.db2.gz RYEPHFWIISRWCV-HSZRJFAPSA-N 2 0 360.505 3.489 20 0 FGADRP Fc1ccc(C[NH2+]C[C@H](N2CC[NH2+]CC2)C(F)(F)F)c(Cl)c1Cl ZINC000414963056 499849441 /nfs/dbraw/zinc/84/94/41/499849441.db2.gz CNFWEGWXJWOZFS-NSHDSACASA-N 2 0 374.209 3.058 20 0 FGADRP O=C(Nc1ccc(CC[NH+]2CCCCC2)cc1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000414975518 499850661 /nfs/dbraw/zinc/85/06/61/499850661.db2.gz LYKWOKWPXLSRGA-FQEVSTJZSA-N 2 0 356.514 3.073 20 0 FGADRP CCOc1c(Br)cc(C[NH2+]CCC[C@@H]2CCC[NH2+]2)cc1OC ZINC000414979935 499850998 /nfs/dbraw/zinc/85/09/98/499850998.db2.gz VTCPUCCMGGEVRQ-CQSZACIVSA-N 2 0 371.319 3.478 20 0 FGADRP COc1cc(Br)c(C[NH2+]CCC[C@@H]2CCC[NH2+]2)cc1OC ZINC000414982728 499851346 /nfs/dbraw/zinc/85/13/46/499851346.db2.gz YZZCVEWANQYTBJ-CYBMUJFWSA-N 2 0 357.292 3.088 20 0 FGADRP COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]C[C@H]1CCC[C@@H]([NH3+])C1 ZINC000414997147 499853242 /nfs/dbraw/zinc/85/32/42/499853242.db2.gz HEAQGWMMJVORND-KCQAQPDRSA-N 2 0 353.894 3.173 20 0 FGADRP C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000415002389 499853846 /nfs/dbraw/zinc/85/38/46/499853846.db2.gz DGFZZZUKZPSNDP-HACGYAERSA-N 2 0 369.431 3.400 20 0 FGADRP CCOc1cc(C[NH2+]C[C@@H]2CCC[C@@H]([NH3+])C2)cc(Br)c1OC ZINC000415004186 499854087 /nfs/dbraw/zinc/85/40/87/499854087.db2.gz XTUWEZKLDWLNJZ-TZMCWYRMSA-N 2 0 371.319 3.464 20 0 FGADRP CCOCCOc1ccc(Br)cc1C[NH2+][C@@H]1CC[C@H](C[NH3+])C1 ZINC000415035087 499856544 /nfs/dbraw/zinc/85/65/44/499856544.db2.gz KMGORULONQDOCZ-XJKSGUPXSA-N 2 0 371.319 3.081 20 0 FGADRP [NH3+]C[C@H]1CC[C@H]([NH2+]C2CCN(Cc3ccccc3Br)CC2)C1 ZINC000415045478 499857747 /nfs/dbraw/zinc/85/77/47/499857747.db2.gz UCHHBQWVHXUTFZ-YOEHRIQHSA-N 2 0 366.347 3.131 20 0 FGADRP Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+][C@@H]1CC[C@H](C[NH3+])C1 ZINC000415049710 499858110 /nfs/dbraw/zinc/85/81/10/499858110.db2.gz XWUARGXXVPHJPB-XJKSGUPXSA-N 2 0 363.303 3.160 20 0 FGADRP Cc1ccc(-c2nc(C[NH2+]C3CCC(N4CC[NH2+]CC4)CC3)cs2)cc1 ZINC000415061175 499859591 /nfs/dbraw/zinc/85/95/91/499859591.db2.gz YCVOFKPRZVDXEH-UHFFFAOYSA-N 2 0 370.566 3.425 20 0 FGADRP [NH3+][C@H]1CCCO[C@H]1C1CC[NH+](Cc2ccccc2OCC(F)(F)F)CC1 ZINC000415116389 499865661 /nfs/dbraw/zinc/86/56/61/499865661.db2.gz YAKVQEAINUJMDC-WMZOPIPTSA-N 2 0 372.431 3.346 20 0 FGADRP Cc1ccc(C[NH+]2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)cc1Br ZINC000415128613 499867290 /nfs/dbraw/zinc/86/72/90/499867290.db2.gz SNSKBDHLYWETDK-AEFFLSMTSA-N 2 0 367.331 3.476 20 0 FGADRP CC1CC[NH+](CCc2cccc(NC(=O)N[C@H](CC[NH3+])C(F)F)c2)CC1 ZINC000415382454 499890387 /nfs/dbraw/zinc/89/03/87/499890387.db2.gz AKCYKGMBQFQXOR-QGZVFWFLSA-N 2 0 368.472 3.065 20 0 FGADRP CC[NH+](CC)Cc1ccc(NC(=O)C(=O)Nc2ccc([C@H](C)[NH3+])cc2)cc1 ZINC000415463547 499894566 /nfs/dbraw/zinc/89/45/66/499894566.db2.gz KFNNFBHJNSRBBL-HNNXBMFYSA-N 2 0 368.481 3.125 20 0 FGADRP C[NH+](C)CCc1ccccc1NC(=O)N1CCC([C@H]2[NH2+]CC2(C)C)CC1 ZINC000415580770 499903742 /nfs/dbraw/zinc/90/37/42/499903742.db2.gz RRICSBJMJFGCPO-LJQANCHMSA-N 2 0 358.530 3.033 20 0 FGADRP C[NH+](C)[C@H]1CCc2cc(NC(=O)N(CC[NH3+])Cc3ccccc3)ccc21 ZINC000415789875 499918827 /nfs/dbraw/zinc/91/88/27/499918827.db2.gz OSRMZEKUUVIXRS-FQEVSTJZSA-N 2 0 352.482 3.228 20 0 FGADRP C[NH+](C)[C@H]1CCc2cc(NC(=O)N(CC[NH3+])CCc3ccccc3)ccc21 ZINC000415789338 499918904 /nfs/dbraw/zinc/91/89/04/499918904.db2.gz OEWITJKLJZPRSZ-NRFANRHFSA-N 2 0 366.509 3.271 20 0 FGADRP CC[NH+](CC)C[C@H]1CCCC[C@H]1NC(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000415883502 499923950 /nfs/dbraw/zinc/92/39/50/499923950.db2.gz NRPDCDKMDVQFLH-YLJYHZDGSA-N 2 0 358.530 3.354 20 0 FGADRP C[NH2+]Cc1ccccc1NC(=O)N[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000415913635 499927721 /nfs/dbraw/zinc/92/77/21/499927721.db2.gz QBTSJRDWLQCZNT-QFBILLFUSA-N 2 0 352.482 3.191 20 0 FGADRP CC[NH2+]Cc1ccccc1NC(=O)N(CC[NH+](C)C)Cc1ccsc1 ZINC000415937845 499930760 /nfs/dbraw/zinc/93/07/60/499930760.db2.gz ZIMSMRABXJHCSG-UHFFFAOYSA-N 2 0 360.527 3.453 20 0 FGADRP CC[NH2+]Cc1ccccc1NC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000415950701 499932493 /nfs/dbraw/zinc/93/24/93/499932493.db2.gz HQUCGBXDEQYGSE-YLJYHZDGSA-N 2 0 356.514 3.277 20 0 FGADRP [NH3+]Cc1cc(NC(=O)N2CC[C@H](C[NH+]3CCCC3)C2)cc(C(F)(F)F)c1 ZINC000415950502 499932530 /nfs/dbraw/zinc/93/25/30/499932530.db2.gz DOKWUIMNXMEFFP-CYBMUJFWSA-N 2 0 370.419 3.114 20 0 FGADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)Nc2cc(C[NH3+])cc(C(F)(F)F)c2)C1 ZINC000415949488 499932542 /nfs/dbraw/zinc/93/25/42/499932542.db2.gz BZMVJRYYFNALIX-CYBMUJFWSA-N 2 0 372.435 3.264 20 0 FGADRP CC[C@@H](C)[NH+]1CCN(C(=O)Nc2cc(C[NH3+])cc(C(F)(F)F)c2)CC1 ZINC000415968345 499934946 /nfs/dbraw/zinc/93/49/46/499934946.db2.gz ISJBNCMXSVRWKM-GFCCVEGCSA-N 2 0 358.408 3.112 20 0 FGADRP C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000415970959 499935260 /nfs/dbraw/zinc/93/52/60/499935260.db2.gz MDJNNKOYACLZLJ-LRDDRELGSA-N 2 0 370.419 3.255 20 0 FGADRP CC[C@@H]1C[N@H+](CC)CCN1C(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000415972034 499935469 /nfs/dbraw/zinc/93/54/69/499935469.db2.gz OLUANSHMAUCDBH-OAHLLOKOSA-N 2 0 358.408 3.112 20 0 FGADRP C[C@@H]1C[C@@H](N(C)C(=O)Nc2cc(C[NH3+])cc(C(F)(F)F)c2)CC[N@@H+]1C ZINC000415974734 499936064 /nfs/dbraw/zinc/93/60/64/499936064.db2.gz SASZXYVMFRPRGL-ABAIWWIYSA-N 2 0 358.408 3.111 20 0 FGADRP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)Nc1ccc(C[NH3+])cc1 ZINC000415979345 499936649 /nfs/dbraw/zinc/93/66/49/499936649.db2.gz QNEHXYWMBWMUMW-IAGOWNOFSA-N 2 0 366.509 3.423 20 0 FGADRP [NH3+]Cc1ccc(NC(=O)N2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC000570425234 506165743 /nfs/dbraw/zinc/16/57/43/506165743.db2.gz MNIBAZVFAMONPJ-WOJBJXKFSA-N 2 0 364.493 3.131 20 0 FGADRP CC1CC[NH+](CCCCNC(=O)N(CCC[NH3+])CC2CCCC2)CC1 ZINC000417031633 499952585 /nfs/dbraw/zinc/95/25/85/499952585.db2.gz PHCJZFXGMSMLBD-UHFFFAOYSA-N 2 0 352.567 3.049 20 0 FGADRP COc1cc(Br)ccc1CCC[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000429025425 499986979 /nfs/dbraw/zinc/98/69/79/499986979.db2.gz YPUKBSFBNGLAHM-GOSISDBHSA-N 2 0 367.331 3.418 20 0 FGADRP C[NH+](C)[C@@H](CNC(=O)N[C@H](CCC[NH3+])c1ccccc1)c1ccc(F)cc1 ZINC000417169244 499994312 /nfs/dbraw/zinc/99/43/12/499994312.db2.gz HTFOFCWJWVEHFQ-UXHICEINSA-N 2 0 372.488 3.208 20 0 FGADRP C[C@@H]([NH3+])c1ccc(CNC(=O)NCC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000417217061 500008305 /nfs/dbraw/zinc/00/83/05/500008305.db2.gz COOXEECJBYXTQB-IXDOHACOSA-N 2 0 360.546 3.262 20 0 FGADRP CC[NH+](CC)[C@@H](C(=O)NCC1([NH+](C)C)CC1)c1cccc(C(F)(F)F)c1 ZINC000416303757 500009743 /nfs/dbraw/zinc/00/97/43/500009743.db2.gz SJLYPMRQKMTGJG-MRXNPFEDSA-N 2 0 371.447 3.299 20 0 FGADRP C[N@H+](Cc1ccccc1CNC(=O)NC[C@@H]1CCC[NH2+]C1)C1CCCCC1 ZINC000417230583 500012013 /nfs/dbraw/zinc/01/20/13/500012013.db2.gz ZJUWZIVGETYTIW-GOSISDBHSA-N 2 0 372.557 3.250 20 0 FGADRP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N[C@H](CCC[NH3+])c2ccccc2)C1 ZINC000417240878 500015374 /nfs/dbraw/zinc/01/53/74/500015374.db2.gz QDEDDZLHOZIGCI-PKOBYXMFSA-N 2 0 360.546 3.276 20 0 FGADRP CC[NH+]1CCC(N2CCC[N@H+](C/C=C\c3ccc(F)c(F)c3)CC2)CC1 ZINC000421371670 500029853 /nfs/dbraw/zinc/02/98/53/500029853.db2.gz KCWMZCRGGGFGJD-HYXAFXHYSA-N 2 0 363.496 3.470 20 0 FGADRP Cc1ccc([C@H](CNC(=O)NCc2ccc([C@H](C)[NH3+])cc2)[NH+](C)C)cc1 ZINC000417311984 500036316 /nfs/dbraw/zinc/03/63/16/500036316.db2.gz MWSYFIGNXVWXKU-JXFKEZNVSA-N 2 0 354.498 3.117 20 0 FGADRP COC1([C@H](C)[NH2+]C2CC[NH+]([C@@H](C)Cc3ccccc3)CC2)CCOCC1 ZINC000421406373 500039354 /nfs/dbraw/zinc/03/93/54/500039354.db2.gz SXRSLRWSPXAVIY-OALUTQOASA-N 2 0 360.542 3.256 20 0 FGADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(C)(C)C1(O)CCOCC1 ZINC000417384517 500055428 /nfs/dbraw/zinc/05/54/28/500055428.db2.gz QLBRCTPPIHMKRZ-AZUAARDMSA-N 2 0 360.542 3.054 20 0 FGADRP CCCC[NH+]1CCC(NC(=O)NC[C@@H]([NH3+])c2ccc(C(C)C)cc2)CC1 ZINC000417392929 500058839 /nfs/dbraw/zinc/05/88/39/500058839.db2.gz NWSGBZFDPMQBRU-HXUWFJFHSA-N 2 0 360.546 3.374 20 0 FGADRP CC(C)(C)[NH+]1CCC([NH2+]C[C@H]2CSCCN2Cc2ccccc2)CC1 ZINC000429437277 500078282 /nfs/dbraw/zinc/07/82/82/500078282.db2.gz NHDLMNAZJUYTHC-FQEVSTJZSA-N 2 0 361.599 3.457 20 0 FGADRP Cc1c(Cl)cccc1N1CCC[N@@H+](Cc2cnc(N(C)C)n2C)CC1 ZINC000425385348 500091301 /nfs/dbraw/zinc/09/13/01/500091301.db2.gz RKELCIVQONQERY-UHFFFAOYSA-N 2 0 361.921 3.160 20 0 FGADRP CC[C@@H](NC(=O)CN1CCC[C@@H]([NH+](C)C)CC1)c1ccc(Cl)cc1 ZINC000429541305 500097192 /nfs/dbraw/zinc/09/71/92/500097192.db2.gz ONYSDXODTAGOLT-QZTJIDSGSA-N 2 0 351.922 3.323 20 0 FGADRP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@@H+](C)[C@H]3CC[C@H](C)C3)CC2)cc1 ZINC000429564813 500104588 /nfs/dbraw/zinc/10/45/88/500104588.db2.gz GPDIOYYPMFWRSJ-FPOVZHCZSA-N 2 0 357.542 3.150 20 0 FGADRP C[NH+]1CCC(N(Cc2ccccc2)C(=O)N[C@H](C[NH3+])C2CCCCC2)CC1 ZINC000573346460 506177031 /nfs/dbraw/zinc/17/70/31/506177031.db2.gz YHPYQDVEDQBOHC-OAQYLSRUSA-N 2 0 372.557 3.200 20 0 FGADRP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)C1 ZINC000417586930 500117932 /nfs/dbraw/zinc/11/79/32/500117932.db2.gz RICNISNEIXLVGF-PKOBYXMFSA-N 2 0 364.578 3.061 20 0 FGADRP O=C(NCCC[C@H]1CCC[NH2+]1)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000417591623 500119587 /nfs/dbraw/zinc/11/95/87/500119587.db2.gz XGVBNHDFHPZDIG-WVVQBRDUSA-N 2 0 370.541 3.013 20 0 FGADRP C[C@H]([NH3+])c1ccc(CNC(=O)NC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000416795426 500122311 /nfs/dbraw/zinc/12/23/11/500122311.db2.gz SWZPCEHSQKINMS-KRWDZBQOSA-N 2 0 366.509 3.170 20 0 FGADRP [NH3+]CCCN(CC1CCCC1)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000416795864 500122920 /nfs/dbraw/zinc/12/29/20/500122920.db2.gz UYYGBGDQYKYKQM-UHFFFAOYSA-N 2 0 372.557 3.202 20 0 FGADRP CN(CC(C)(C)C[NH3+])C(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000417630541 500130014 /nfs/dbraw/zinc/13/00/14/500130014.db2.gz WULBMOXIELTJBB-UHFFFAOYSA-N 2 0 360.546 3.189 20 0 FGADRP C[NH+](C)[C@@H](CNC(=O)N[C@H](CCC[NH3+])c1ccccc1)c1cccc(F)c1 ZINC000416826582 500130711 /nfs/dbraw/zinc/13/07/11/500130711.db2.gz BXRDVRPSGHDOOG-UXHICEINSA-N 2 0 372.488 3.208 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)NC[C@H]([NH3+])c1ccccc1)c1ccccc1 ZINC000416844452 500136250 /nfs/dbraw/zinc/13/62/50/500136250.db2.gz PZMWCNFCEUFZMI-VQTJNVASSA-N 2 0 354.498 3.069 20 0 FGADRP CC[NH+]1CCN(c2ccc(C[NH2+][C@H](C)c3ccc(OC)cc3C)cn2)CC1 ZINC000414076348 500146264 /nfs/dbraw/zinc/14/62/64/500146264.db2.gz PZIVYQXFMHPHBE-GOSISDBHSA-N 2 0 368.525 3.391 20 0 FGADRP COc1ccc(C[NH+]2CCC(C[NH2+][C@H](C)c3cc4n(n3)CCC4)CC2)cc1 ZINC000414077292 500147680 /nfs/dbraw/zinc/14/76/80/500147680.db2.gz PSUQAXZGMSNGNY-QGZVFWFLSA-N 2 0 368.525 3.401 20 0 FGADRP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)NC[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000417686441 500148762 /nfs/dbraw/zinc/14/87/62/500148762.db2.gz GLIZCQNMWRQUDV-LMMKCTJWSA-N 2 0 358.530 3.029 20 0 FGADRP CCC(CC)(CNC(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1)[NH2+][C@H](C)c1ccccc1 ZINC000417695623 500150091 /nfs/dbraw/zinc/15/00/91/500150091.db2.gz BKDZUQPCFHWMQT-RLLQIKCJSA-N 2 0 372.557 3.289 20 0 FGADRP C[NH2+]CCC1CCN(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000416895707 500150419 /nfs/dbraw/zinc/15/04/19/500150419.db2.gz UNYIAGQMLQWJJO-UHFFFAOYSA-N 2 0 372.557 3.204 20 0 FGADRP C[C@@H]([NH2+]CCCOC1CC[NH+](Cc2ccccc2)CC1)c1ccn(C)n1 ZINC000414088598 500150499 /nfs/dbraw/zinc/15/04/99/500150499.db2.gz CBCJYSBCQPBZPD-GOSISDBHSA-N 2 0 356.514 3.142 20 0 FGADRP CCC(CC)(CNC(=O)N1CC[C@H]([C@@H](C)[NH3+])C1)[NH2+][C@H](C)c1ccccc1 ZINC000417697765 500150820 /nfs/dbraw/zinc/15/08/20/500150820.db2.gz FEOMAYHXWPXBGE-LMMKCTJWSA-N 2 0 360.546 3.275 20 0 FGADRP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N[C@H](C[NH3+])C2CCCC2)CC1 ZINC000417698275 500151558 /nfs/dbraw/zinc/15/15/58/500151558.db2.gz XGYTVFSLPJZXSZ-OXQOHEQNSA-N 2 0 358.530 3.029 20 0 FGADRP C[C@H]([NH2+]C1(CNC(=O)N[C@@H](C)[C@H]2CCC[NH2+]C2)CCCC1)c1ccccc1 ZINC000417700951 500151613 /nfs/dbraw/zinc/15/16/13/500151613.db2.gz JDQLCFFGIICTLA-BJLQDIEVSA-N 2 0 372.557 3.337 20 0 FGADRP C[NH2+]CCC1CCN(C(=O)NCc2ccccc2C[NH+]2CCCCC2)CC1 ZINC000416902887 500151993 /nfs/dbraw/zinc/15/19/93/500151993.db2.gz MJOXGTZRSPYLKY-UHFFFAOYSA-N 2 0 372.557 3.204 20 0 FGADRP CC(C)c1ccc([C@H]([NH3+])CNC(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)cc1 ZINC000417702896 500152496 /nfs/dbraw/zinc/15/24/96/500152496.db2.gz JEOLDPDOYQXRIN-UYAOXDASSA-N 2 0 358.530 3.126 20 0 FGADRP CC(C)(C)O[C@@H]1C[C@H]([NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)C1(C)C ZINC000414098859 500152987 /nfs/dbraw/zinc/15/29/87/500152987.db2.gz SZUSEYMJOBBNSE-AKHDSKFASA-N 2 0 352.563 3.326 20 0 FGADRP CCC(CC)(CNC(=O)N1CC[C@]2(CC[NH2+]C2)C1)[NH2+][C@@H](C)c1ccccc1 ZINC000417712818 500154849 /nfs/dbraw/zinc/15/48/49/500154849.db2.gz XHTSETBKJSTVNR-RXVVDRJESA-N 2 0 372.557 3.291 20 0 FGADRP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H](C)C3(OC)CCCCC3)cn2)CC1 ZINC000421819268 500158161 /nfs/dbraw/zinc/15/81/61/500158161.db2.gz GCMUUNMFARAGEF-SFHVURJKSA-N 2 0 360.546 3.051 20 0 FGADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1N[C@@H](C)c1ncc(C(=O)OC)s1 ZINC000414117902 500158158 /nfs/dbraw/zinc/15/81/58/500158158.db2.gz SZHZOLVFGJXJLU-KKUMJFAQSA-N 2 0 353.532 3.481 20 0 FGADRP COc1ccc([C@@H]([NH2+]C[C@H](C(C)C)N2CC[NH+](C)CC2)C(C)C)c(F)c1 ZINC000421822604 500159146 /nfs/dbraw/zinc/15/91/46/500159146.db2.gz XJNAPCWTXUIYOD-RTWAWAEBSA-N 2 0 365.537 3.393 20 0 FGADRP COc1ccc([C@H]([NH2+]CCCN2CCC[N@H+](C)CC2)C(C)C)c(F)c1 ZINC000421825811 500160311 /nfs/dbraw/zinc/16/03/11/500160311.db2.gz PITCRJJQZKTUQK-HXUWFJFHSA-N 2 0 351.510 3.149 20 0 FGADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+]C[C@H]2CC[C@H](C(N)=O)CC2)CC1 ZINC000421852532 500163788 /nfs/dbraw/zinc/16/37/88/500163788.db2.gz HOQZSGAAMLQHOW-SNXBXODESA-N 2 0 357.542 3.311 20 0 FGADRP CCCN1C[C@@H](C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1=O ZINC000421874843 500167706 /nfs/dbraw/zinc/16/77/06/500167706.db2.gz IPGRFTHKCTYBQH-NCYKPQTJSA-N 2 0 355.526 3.030 20 0 FGADRP COC1([C@@H](C)[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CCOCC1 ZINC000421876083 500168190 /nfs/dbraw/zinc/16/81/90/500168190.db2.gz YQEUCFFTPNFJCB-WLRLJWMZSA-N 2 0 358.526 3.356 20 0 FGADRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000416968384 500169326 /nfs/dbraw/zinc/16/93/26/500169326.db2.gz IXJMBLXHOPUVJZ-NQIIRXRSSA-N 2 0 374.573 3.433 20 0 FGADRP Cc1cccc(C)c1C[NH+]1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000573366097 506180290 /nfs/dbraw/zinc/18/02/90/506180290.db2.gz ILTZUXVUAZQUBE-UHFFFAOYSA-N 2 0 357.542 3.118 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)NC1CCC([NH3+])CC1 ZINC000416971403 500171082 /nfs/dbraw/zinc/17/10/82/500171082.db2.gz GRPFWKDUCBJSBQ-PBPGXSGUSA-N 2 0 358.530 3.130 20 0 FGADRP CC1CC[NH+](Cc2ccc(CNC(=O)NC[C@H]3CCC[C@@H]([NH3+])C3)cc2)CC1 ZINC000416973741 500171948 /nfs/dbraw/zinc/17/19/48/500171948.db2.gz KEWMXMGJSKOEFG-LEWJYISDSA-N 2 0 372.557 3.235 20 0 FGADRP [NH3+]C1(CNC(=O)NCc2cccc(C[NH+]3CCCC3)c2)CCCCCC1 ZINC000416984738 500175041 /nfs/dbraw/zinc/17/50/41/500175041.db2.gz PBUIFBPXXFWSKT-UHFFFAOYSA-N 2 0 358.530 3.133 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)N[C@H]3CC[NH2+][C@@H](C)C3)cc2)C1 ZINC000416993436 500178578 /nfs/dbraw/zinc/17/85/78/500178578.db2.gz QFYYOQQOODTBAJ-NYUBLWNDSA-N 2 0 372.557 3.104 20 0 FGADRP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)NC3(C)CC[NH2+]CC3)cc2)C1 ZINC000416997751 500179884 /nfs/dbraw/zinc/17/98/84/500179884.db2.gz WBSXEXZBANLAOB-QZTJIDSGSA-N 2 0 372.557 3.106 20 0 FGADRP C[NH+](C)[C@@H](CNC(=O)N[C@@H](CCC[NH3+])c1ccccc1)c1ccsc1 ZINC000417015533 500184043 /nfs/dbraw/zinc/18/40/43/500184043.db2.gz MQJBNDNCKLLKAK-ROUUACIJSA-N 2 0 360.527 3.130 20 0 FGADRP C[C@H]([NH3+])c1ccc(CNC(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)cc1 ZINC000417021726 500185951 /nfs/dbraw/zinc/18/59/51/500185951.db2.gz KBAQFFLBYFZFSC-UWJYYQICSA-N 2 0 366.509 3.343 20 0 FGADRP CC[NH+]1CCN(c2ccc(C[NH2+]C[C@@H]3C[C@H]3c3ccccc3)cn2)CC1 ZINC000417884139 500191495 /nfs/dbraw/zinc/19/14/95/500191495.db2.gz WNMCAGWCEJNGPB-SFTDATJTSA-N 2 0 350.510 3.117 20 0 FGADRP CN(C)C(=O)c1ccccc1C[NH2+]CC1CC[NH+](Cc2cccs2)CC1 ZINC000417884983 500191919 /nfs/dbraw/zinc/19/19/19/500191919.db2.gz GIKWLWYDZRGRJG-UHFFFAOYSA-N 2 0 371.550 3.452 20 0 FGADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)NC1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC000417896078 500193992 /nfs/dbraw/zinc/19/39/92/500193992.db2.gz PBVFGBQCCKHAHY-QWFCFKBJSA-N 2 0 374.573 3.158 20 0 FGADRP C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccc(-n4ccc(C(F)(F)F)n4)cc3)C2)C1 ZINC000430126134 500196587 /nfs/dbraw/zinc/19/65/87/500196587.db2.gz CVZRURXMBFTTFI-SFHVURJKSA-N 2 0 364.415 3.419 20 0 FGADRP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)N[C@@H](CCC[NH3+])c2ccccc2)C1 ZINC000417918762 500197699 /nfs/dbraw/zinc/19/76/99/500197699.db2.gz YJOHCXKEWGUUJJ-ICSRJNTNSA-N 2 0 360.546 3.134 20 0 FGADRP CCC1(CNC(=O)N2CC[C@H]([NH3+])[C@H](C)C2)CC[NH+](Cc2ccccc2)CC1 ZINC000417923802 500199036 /nfs/dbraw/zinc/19/90/36/500199036.db2.gz LOSDIPJVCIXDDT-QUCCMNQESA-N 2 0 372.557 3.058 20 0 FGADRP c1c(C[NH2+]CCCCOCCc2ccccc2)onc1C1CC[NH2+]CC1 ZINC000425903016 500210635 /nfs/dbraw/zinc/21/06/35/500210635.db2.gz VAOWDYWAWOQNEH-UHFFFAOYSA-N 2 0 357.498 3.271 20 0 FGADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)NCc1ccccc1C[NH+]1CCC(C)CC1 ZINC000418064988 500224312 /nfs/dbraw/zinc/22/43/12/500224312.db2.gz KJBOMIVSASHSBG-OAQYLSRUSA-N 2 0 374.573 3.433 20 0 FGADRP CC[C@H](C)[NH2+][C@@H](CNC(=O)NCc1ccc([C@H](C)[NH3+])cc1)c1ccco1 ZINC000418171359 500242039 /nfs/dbraw/zinc/24/20/39/500242039.db2.gz UPYFGCIDNWVJPK-MPGHIAIKSA-N 2 0 358.486 3.228 20 0 FGADRP CCC[N@H+](C)[C@H](CNC(=O)N1CC[C@@H]([NH3+])[C@@H](C)C1)c1ccc(Cl)cc1 ZINC000418192421 500246724 /nfs/dbraw/zinc/24/67/24/500246724.db2.gz YRBXTEAUXYKWML-BMGDILEWSA-N 2 0 366.937 3.102 20 0 FGADRP CCc1ccc([C@@H](CNC(=O)N2CCC([C@H](C)[NH3+])CC2)[NH+](CC)CC)cc1 ZINC000418214899 500250209 /nfs/dbraw/zinc/25/02/09/500250209.db2.gz MIVHRRCMSQTLJH-LAUBAEHRSA-N 2 0 374.573 3.401 20 0 FGADRP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000418355013 500267550 /nfs/dbraw/zinc/26/75/50/500267550.db2.gz FJGADPTVKXTTNO-PZJWPPBQSA-N 2 0 372.557 3.058 20 0 FGADRP CC1CC[NH+](CCCCNC(=O)c2ccc3c(ccn3CCC[NH3+])c2)CC1 ZINC000430683852 500270138 /nfs/dbraw/zinc/27/01/38/500270138.db2.gz YAVUFSBXYZCKSI-UHFFFAOYSA-N 2 0 370.541 3.232 20 0 FGADRP C[C@@H]([NH3+])c1ccc(CNC(=O)N(CC[NH+](C)C)Cc2cccc(F)c2)cc1 ZINC000418459880 500279624 /nfs/dbraw/zinc/27/96/24/500279624.db2.gz JHRYCKJDKNLBGD-MRXNPFEDSA-N 2 0 372.488 3.119 20 0 FGADRP CCCC[C@@H](C[NH3+])NC(=O)N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000418461668 500280009 /nfs/dbraw/zinc/28/00/09/500280009.db2.gz JFBPMAYXMADVBS-MJGOQNOKSA-N 2 0 352.567 3.190 20 0 FGADRP CCCC[C@H](C[NH3+])NC(=O)N1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000418476444 500280971 /nfs/dbraw/zinc/28/09/71/500280971.db2.gz WUQDUWMAHDTZDJ-HXUWFJFHSA-N 2 0 360.546 3.058 20 0 FGADRP C[C@@H](CC[NH3+])NC(=O)N1CC(C)(C)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000418519275 500287291 /nfs/dbraw/zinc/28/72/91/500287291.db2.gz GGTDJANHPVXFKH-FXAWDEMLSA-N 2 0 372.557 3.056 20 0 FGADRP Cc1ccc(C(=O)Nc2cccc(C[NH2+][C@@H]3CCOC[C@@H]3[C@H](C)[NH3+])c2)cc1 ZINC000422708268 500287946 /nfs/dbraw/zinc/28/79/46/500287946.db2.gz ISUXCJXUNATJKY-ZLGUVYLKSA-N 2 0 367.493 3.089 20 0 FGADRP CN(C)[C@H](C[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1ccc(F)cc1 ZINC000422714061 500288623 /nfs/dbraw/zinc/28/86/23/500288623.db2.gz QNVJUEXPQHSYRE-SJBKTWHCSA-N 2 0 369.484 3.274 20 0 FGADRP COc1ccc(CC[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1OC ZINC000422725738 500290206 /nfs/dbraw/zinc/29/02/06/500290206.db2.gz CCSFRNJBPTYHAR-XMSQKQJNSA-N 2 0 368.477 3.092 20 0 FGADRP [NH3+]CC1CCC([NH2+]Cc2cccc(NC(=O)NCc3ccncc3)c2)CC1 ZINC000422725991 500290623 /nfs/dbraw/zinc/29/06/23/500290623.db2.gz CXLYCMCIAJOIOZ-UHFFFAOYSA-N 2 0 367.497 3.010 20 0 FGADRP COc1ccc(CCC[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422730129 500290629 /nfs/dbraw/zinc/29/06/29/500290629.db2.gz DJKKJPCAKXHZMU-UNMCSNQZSA-N 2 0 352.478 3.473 20 0 FGADRP C[C@H]([NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1ccc(NC(N)=O)cc1 ZINC000422736293 500292268 /nfs/dbraw/zinc/29/22/68/500292268.db2.gz VUVLQNIODFKCJZ-HLLQZAQXSA-N 2 0 366.465 3.084 20 0 FGADRP C[C@H]([NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ccc(NC(N)=O)cc1 ZINC000422736292 500292443 /nfs/dbraw/zinc/29/24/43/500292443.db2.gz VUVLQNIODFKCJZ-FIKMYACPSA-N 2 0 366.465 3.084 20 0 FGADRP CCOC(=O)C1([C@@H](C)[NH2+][C@H](CC)c2ccc(F)cc2F)CC[NH2+]CC1 ZINC000422753353 500294298 /nfs/dbraw/zinc/29/42/98/500294298.db2.gz CEJXZDJQDZPEFB-CXAGYDPISA-N 2 0 354.441 3.327 20 0 FGADRP O=C(c1ccccc1)N1CCC(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)CC1 ZINC000422759419 500294716 /nfs/dbraw/zinc/29/47/16/500294716.db2.gz KDSMOUABPJIRAU-PCCBWWKXSA-N 2 0 355.526 3.049 20 0 FGADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CC1CCN(C(=O)c2ccccc2)CC1 ZINC000422772290 500295909 /nfs/dbraw/zinc/29/59/09/500295909.db2.gz WPODFTCIQYHVDF-WIYYLYMNSA-N 2 0 357.542 3.439 20 0 FGADRP C[C@H]([NH2+]C1(CN[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)CCOCC1)c1ccccc1 ZINC000422773850 500296312 /nfs/dbraw/zinc/29/63/12/500296312.db2.gz ZKXRSJXRJVOBQW-VXSCBNMQSA-N 2 0 371.569 3.397 20 0 FGADRP CCCN(C(=O)N[C@@H]1CC[NH2+][C@@H](C)C1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000418612767 500296453 /nfs/dbraw/zinc/29/64/53/500296453.db2.gz VYJGGFNEHVTSCS-TYPHKJRUSA-N 2 0 372.557 3.213 20 0 FGADRP CCOC(=O)C1([C@@H](C)[NH2+]C[C@@H](C)Oc2ccc(Cl)cc2)CC[NH2+]CC1 ZINC000422797454 500298939 /nfs/dbraw/zinc/29/89/39/500298939.db2.gz MPCRJGMGIQNFPI-HUUCEWRRSA-N 2 0 368.905 3.018 20 0 FGADRP CCOC(=O)C1([C@H](C)[NH2+]Cc2ccc(C(F)(F)F)cc2)CC[NH2+]CC1 ZINC000422797918 500299005 /nfs/dbraw/zinc/29/90/05/500299005.db2.gz PBNRJDMSQKDLHB-ZDUSSCGKSA-N 2 0 358.404 3.116 20 0 FGADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@@H](CO)Cc1c(F)cccc1Cl ZINC000422798928 500299118 /nfs/dbraw/zinc/29/91/18/500299118.db2.gz UHGHQJREQTUIID-JSGCOSHPSA-N 2 0 365.880 3.143 20 0 FGADRP OC[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)Cc1c(F)cccc1Cl ZINC000422797887 500299312 /nfs/dbraw/zinc/29/93/12/500299312.db2.gz OWSLNFNJBYVTBP-YXUGBTPSSA-N 2 0 354.897 3.140 20 0 FGADRP C[NH+](C)Cc1cccc(C[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000422806103 500300579 /nfs/dbraw/zinc/30/05/79/500300579.db2.gz KAHDOAXSYKUGLS-IRLDBZIGSA-N 3 0 351.494 3.094 20 0 FGADRP CC[C@H](CN[C@H](Cc1ccccc1)[C@H](C)[NH3+])[N@@H+]1CCc2ccccc2C1 ZINC000422813406 500301093 /nfs/dbraw/zinc/30/10/93/500301093.db2.gz YCQCLGHTELJRDY-CDNPAEQRSA-N 2 0 351.538 3.371 20 0 FGADRP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@@H]2[NH2+]Cc1ccc(N2CCCC2)nc1 ZINC000422828668 500303455 /nfs/dbraw/zinc/30/34/55/500303455.db2.gz OUEBVWCYKBHUIQ-SIKLNZKXSA-N 2 0 364.493 3.027 20 0 FGADRP [NH3+]CCC[C@@H](NC(=O)N1CCC[C@@H]1C[NH+]1CCCCC1)c1ccccc1 ZINC000418678284 500306594 /nfs/dbraw/zinc/30/65/94/500306594.db2.gz SLGGANNHISTCRI-WOJBJXKFSA-N 2 0 358.530 3.127 20 0 FGADRP Clc1ccc(OC[C@@H]2CCCO2)c(C[NH+]2CCC3(CC[NH2+]C3)CC2)c1 ZINC000430929043 500308298 /nfs/dbraw/zinc/30/82/98/500308298.db2.gz NAPZMFGIDKZFFL-SFHVURJKSA-N 2 0 364.917 3.473 20 0 FGADRP C[C@@H](CCCC[NH3+])[NH2+][C@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1 ZINC000422878602 500309857 /nfs/dbraw/zinc/30/98/57/500309857.db2.gz JIMRNPWBTBFSKS-WMLDXEAASA-N 2 0 371.447 3.476 20 0 FGADRP c1ccc2cc(OCCC[NH2+][C@@H]3CCOC[C@@H]3[C@H]3CCC[NH2+]3)ccc2c1 ZINC000422883923 500310251 /nfs/dbraw/zinc/31/02/51/500310251.db2.gz DGVOQNRIIHYSRO-YPAWHYETSA-N 2 0 354.494 3.355 20 0 FGADRP COCCOc1ccc([C@H](C)[NH2+][C@@H](C)c2ccc(C[NH3+])nc2C)cc1OC ZINC000422893392 500312623 /nfs/dbraw/zinc/31/26/23/500312623.db2.gz QIAXZTGQJWUZQG-GJZGRUSLSA-N 2 0 373.497 3.294 20 0 FGADRP c1sc(-c2ccc3c(c2)OCO3)nc1C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000430949781 500312646 /nfs/dbraw/zinc/31/26/46/500312646.db2.gz FEUCNHAYIDETOP-UHFFFAOYSA-N 2 0 357.479 3.114 20 0 FGADRP CC[NH+](CC)CCN(Cc1cccs1)C(=O)NC[C@H]1CCC[C@H]([NH3+])C1 ZINC000418726724 500313426 /nfs/dbraw/zinc/31/34/26/500313426.db2.gz PVSOCJGHZIAXNH-IRXDYDNUSA-N 2 0 366.575 3.119 20 0 FGADRP CCOC(=O)C1([C@@H](C)[NH2+][C@H](C)c2nc3ccccc3n2CC)CC[NH2+]CC1 ZINC000422909315 500315300 /nfs/dbraw/zinc/31/53/00/500315300.db2.gz FPNQMLKJAGLWNO-HZPDHXFCSA-N 2 0 372.513 3.028 20 0 FGADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1 ZINC000422916528 500316541 /nfs/dbraw/zinc/31/65/41/500316541.db2.gz DJQJYNJRJCFZNJ-XLIONFOSSA-N 2 0 372.557 3.107 20 0 FGADRP CCOC(=O)C1([C@@H](C)[NH2+][C@@H]2CCc3c2cccc3Cl)CC[NH2+]CC1 ZINC000422930936 500319240 /nfs/dbraw/zinc/31/92/40/500319240.db2.gz AEIZEXLGTZBEMY-CXAGYDPISA-N 2 0 350.890 3.238 20 0 FGADRP CC[N@H+](CCC1CCN(C(=O)NCCC[C@H]2CCC[NH2+]2)CC1)CC(C)C ZINC000418766891 500320140 /nfs/dbraw/zinc/32/01/40/500320140.db2.gz KTCDRHOHERBBMH-HXUWFJFHSA-N 2 0 366.594 3.308 20 0 FGADRP CCOC(=O)C1([C@H](C)[NH2+]C2(c3cccc(Cl)c3)CC2)CC[NH2+]CC1 ZINC000422939508 500320279 /nfs/dbraw/zinc/32/02/79/500320279.db2.gz FYNSWIZYLDKXEG-AWEZNQCLSA-N 2 0 350.890 3.240 20 0 FGADRP c1ccc(-c2ccccc2OCC[NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000422941865 500321247 /nfs/dbraw/zinc/32/12/47/500321247.db2.gz VTYQIUWLORYNFJ-BHDDXSALSA-N 2 0 366.505 3.479 20 0 FGADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CCOc1ccc(Br)cc1 ZINC000422949026 500321534 /nfs/dbraw/zinc/32/15/34/500321534.db2.gz UCPGXABKMJHISJ-GFCCVEGCSA-N 2 0 364.287 3.341 20 0 FGADRP C[C@H](C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2)[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000431012966 500322592 /nfs/dbraw/zinc/32/25/92/500322592.db2.gz HGJXARHTXQSIGT-ZWKOTPCHSA-N 2 0 369.553 3.207 20 0 FGADRP CC[C@H]([NH2+]C[C@H]1CCN(c2ccc(Br)cc2)C1)[C@@H]1CCC[NH2+]1 ZINC000422951603 500322746 /nfs/dbraw/zinc/32/27/46/500322746.db2.gz ZHDRMVUJCLOYLY-JLSDUUJJSA-N 2 0 366.347 3.396 20 0 FGADRP O=C1CCCN1Cc1cccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)c1 ZINC000422958299 500323911 /nfs/dbraw/zinc/32/39/11/500323911.db2.gz PCQIGRBYTPYGJT-QHAWAJNXSA-N 2 0 355.526 3.209 20 0 FGADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1ccc(OCCOc2ccccc2)nc1 ZINC000422971895 500325505 /nfs/dbraw/zinc/32/55/05/500325505.db2.gz KAXJSSNEJNZVCM-XLIONFOSSA-N 2 0 355.482 3.017 20 0 FGADRP FC(F)(F)c1ccc(-c2noc(C[NH+]3CCC4(CC[NH2+]C4)CC3)n2)cc1 ZINC000431033982 500326360 /nfs/dbraw/zinc/32/63/60/500326360.db2.gz LMOLTNGFZUJXFN-UHFFFAOYSA-N 2 0 366.387 3.331 20 0 FGADRP O=C(C[NH+]1CCC2(CC[NH2+]C2)CC1)N[C@H](c1ccc(F)cc1)C1CCCC1 ZINC000431036100 500326590 /nfs/dbraw/zinc/32/65/90/500326590.db2.gz HHENISRMLCTYSA-NRFANRHFSA-N 2 0 373.516 3.249 20 0 FGADRP CC(C)C[N@@H+]1CCCC[C@@H]1CN[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422991495 500328463 /nfs/dbraw/zinc/32/84/63/500328463.db2.gz BHHSZXCMQWEOLL-CBQOVEMMSA-N 2 0 357.542 3.342 20 0 FGADRP [NH3+][C@H]1C[C@H]([NH2+]CCc2ccc(OCC[NH+]3CCCC3)cc2)c2ccccc21 ZINC000423020085 500331688 /nfs/dbraw/zinc/33/16/88/500331688.db2.gz YQTPSKAALGTHBM-GOTSBHOMSA-N 3 0 365.521 3.438 20 0 FGADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CCCc1nc(-c2ccc(F)cc2)no1 ZINC000423027510 500332372 /nfs/dbraw/zinc/33/23/72/500332372.db2.gz DJCFWEINIFISLQ-ZDUSSCGKSA-N 2 0 369.444 3.321 20 0 FGADRP CCCN(Cc1nc(C(C)(C)[NH3+])no1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000431079228 500333149 /nfs/dbraw/zinc/33/31/49/500333149.db2.gz IKQMHTFVUYHVHO-SFHVURJKSA-N 2 0 371.529 3.140 20 0 FGADRP CCOC(=O)C1([C@@H](C)[NH2+]CC2(c3ccc(OC)cc3)CCC2)CC[NH2+]CC1 ZINC000423029587 500333291 /nfs/dbraw/zinc/33/32/91/500333291.db2.gz IMMXCPASCQCFAS-QGZVFWFLSA-N 2 0 374.525 3.028 20 0 FGADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CCc1ccc(OCC(F)(F)F)nc1 ZINC000423044379 500334344 /nfs/dbraw/zinc/33/43/44/500334344.db2.gz AKWANZXEGIECGO-GDBMZVCRSA-N 2 0 359.436 3.466 20 0 FGADRP COC[C@H](CCC[NH3+])[NH2+][C@@H]1CCN(C(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000423048481 500334900 /nfs/dbraw/zinc/33/49/00/500334900.db2.gz WMEPIHJZAFXZBB-KFKAGJAMSA-N 2 0 371.928 3.346 20 0 FGADRP Fc1cc(CC[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc(F)c1F ZINC000423047406 500334997 /nfs/dbraw/zinc/33/49/97/500334997.db2.gz VEEYHYFZOMAXHI-PXNSSMCTSA-N 2 0 362.395 3.492 20 0 FGADRP [NH3+][C@@H]1C[C@H]([NH2+]CCc2ccc(OCC(F)(F)F)nc2)c2ccccc21 ZINC000423045939 500335101 /nfs/dbraw/zinc/33/51/01/500335101.db2.gz CXTWSBGCLUPJDX-CVEARBPZSA-N 2 0 351.372 3.300 20 0 FGADRP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1)CC3 ZINC000423050269 500335819 /nfs/dbraw/zinc/33/58/19/500335819.db2.gz YTDBINWWKPADKG-TWSMVNEUSA-N 2 0 353.510 3.080 20 0 FGADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCN1CCc2c(Cl)cccc2C1 ZINC000423062275 500337440 /nfs/dbraw/zinc/33/74/40/500337440.db2.gz SUCULUOWKFJOSN-HRAATJIYSA-N 2 0 357.929 3.246 20 0 FGADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1cnn(-c2ccc(Br)cc2)c1 ZINC000423091732 500341032 /nfs/dbraw/zinc/34/10/32/500341032.db2.gz YMZQSARBGQGZML-CXAGYDPISA-N 2 0 363.303 3.113 20 0 FGADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@H](CO)c1ccc(Br)cc1C(F)(F)F ZINC000423092523 500341089 /nfs/dbraw/zinc/34/10/89/500341089.db2.gz CENDMFHTZFLVHQ-MWODSPESSA-N 2 0 369.225 3.217 20 0 FGADRP C[C@H](CCc1ccc(I)cc1)[NH2+][C@@H](C)C[C@H](C)[NH3+] ZINC000423092658 500341102 /nfs/dbraw/zinc/34/11/02/500341102.db2.gz CVGUMCWMADTYSE-XQQFMLRXSA-N 2 0 360.283 3.328 20 0 FGADRP CC(C)Cc1ccc([C@H](CN[C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)[NH+](C)C)cc1 ZINC000423136766 500347143 /nfs/dbraw/zinc/34/71/43/500347143.db2.gz ZHOOESGEJQZFIN-AFXVXQJMSA-N 2 0 373.585 3.235 20 0 FGADRP OC[C@H](C[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ccccc1Cl ZINC000423134601 500347495 /nfs/dbraw/zinc/34/74/95/500347495.db2.gz XBQRPUJJKUWUSX-PAXLWEDBSA-N 2 0 372.896 3.261 20 0 FGADRP CCCOc1c(OC)cc(CC[NH2+][C@H]2CCCCC[C@H]2[NH3+])cc1OC ZINC000423149328 500348270 /nfs/dbraw/zinc/34/82/70/500348270.db2.gz HHIKFBPOPMIAIB-SJORKVTESA-N 2 0 350.503 3.285 20 0 FGADRP CC[C@H](COCC(F)(F)F)[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423148388 500348648 /nfs/dbraw/zinc/34/86/48/500348648.db2.gz VMDKEARMZXASDG-FRFSOERESA-N 2 0 358.404 3.189 20 0 FGADRP CC[C@@H]([NH2+][C@@H]1CCc2nc(-c3ccc(F)cc3F)cn2C1)[C@@H]1CCC[NH2+]1 ZINC000423156008 500349357 /nfs/dbraw/zinc/34/93/57/500349357.db2.gz RMOREMGGWOTDGO-OLMNPRSZSA-N 2 0 360.452 3.263 20 0 FGADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CCC[C@@H]2Cc2cc(F)ccc2F)CC1 ZINC000419304281 500351138 /nfs/dbraw/zinc/35/11/38/500351138.db2.gz ULIALPFEARVECH-HXUWFJFHSA-N 2 0 365.512 3.388 20 0 FGADRP COc1ccc(-c2nc(C)c([C@@H](C)[NH2+]CCCN3CC[NH2+]CC3)s2)cc1 ZINC000423174652 500351229 /nfs/dbraw/zinc/35/12/29/500351229.db2.gz BPYYFUMVODDMSF-OAHLLOKOSA-N 2 0 374.554 3.073 20 0 FGADRP Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)[NH2+]CCCN1CC[NH2+]CC1 ZINC000423178970 500352153 /nfs/dbraw/zinc/35/21/53/500352153.db2.gz LPMQZTTUKMMCPV-AWEZNQCLSA-N 2 0 362.518 3.204 20 0 FGADRP CC1CC[NH+](CC(=O)Nc2ccc(OCC[NH+]3CCCCC3)cc2)CC1 ZINC000427119192 500355696 /nfs/dbraw/zinc/35/56/96/500355696.db2.gz GSCAIHJTICTYHV-UHFFFAOYSA-N 2 0 359.514 3.222 20 0 FGADRP C[C@@H](CCc1ccc(I)cc1)[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000423254425 500358863 /nfs/dbraw/zinc/35/88/63/500358863.db2.gz YAWBOZMGFUCKDP-DZGCQCFKSA-N 2 0 372.294 3.202 20 0 FGADRP C[C@@H]([NH2+]CC[C@@H]1CCC[NH2+]C1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000423265190 500360133 /nfs/dbraw/zinc/36/01/33/500360133.db2.gz ZMZFOSSQYWOCME-SJORKVTESA-N 2 0 364.555 3.443 20 0 FGADRP CCc1ccc([C@@H](CNC(=O)NC2CC[NH+](C)CC2)[NH+](CC)CC)cc1 ZINC000431301760 500360819 /nfs/dbraw/zinc/36/08/19/500360819.db2.gz WQAFPTABFOEGGN-HXUWFJFHSA-N 2 0 360.546 3.025 20 0 FGADRP CC[C@@H](CNC(=O)c1ccc([C@@H](C)[NH3+])cc1)[N@@H+]1CCc2ccccc2C1 ZINC000423336796 500365404 /nfs/dbraw/zinc/36/54/04/500365404.db2.gz VDIORTDBBYNOAF-IERDGZPVSA-N 2 0 351.494 3.273 20 0 FGADRP O=C(Nc1ccc(Oc2ccncc2)cc1)c1cn[nH]c1[C@@H]1CCC[NH2+]C1 ZINC000423353102 500366168 /nfs/dbraw/zinc/36/61/68/500366168.db2.gz CHXXUELMCVFPPD-CQSZACIVSA-N 2 0 363.421 3.316 20 0 FGADRP C[C@H]1[NH2+]CCC[C@H]1C(=O)NCc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000423353797 500366840 /nfs/dbraw/zinc/36/68/40/500366840.db2.gz MKGWWSDQQNDJGR-DYESRHJHSA-N 2 0 357.542 3.455 20 0 FGADRP C[C@H]1C[C@H]([NH2+]C[C@H](N2CC[NH2+]CC2)C(F)(F)F)c2ccsc2S1 ZINC000423384172 500368958 /nfs/dbraw/zinc/36/89/58/500368958.db2.gz JXTDRPXPUKBSFT-DRZSPHRISA-N 2 0 365.490 3.099 20 0 FGADRP C[C@@H]([NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1cccc2ccccc21 ZINC000423403716 500371307 /nfs/dbraw/zinc/37/13/07/500371307.db2.gz ZKNDVUBIQUKUAD-KDOFPFPSSA-N 2 0 351.416 3.327 20 0 FGADRP COCC1(C[NH2+][C@H](C)c2sc(-c3cccnc3)nc2C)CC[NH2+]CC1 ZINC000423411603 500372663 /nfs/dbraw/zinc/37/26/63/500372663.db2.gz UYFJWQCDZMXFRV-CQSZACIVSA-N 2 0 360.527 3.180 20 0 FGADRP C[C@H]([NH3+])c1ccc(C(=O)NCC2([NH+]3CCSCC3)CCCCC2)cc1 ZINC000423428311 500373660 /nfs/dbraw/zinc/37/36/60/500373660.db2.gz OJYBQNTXNVJHKU-INIZCTEOSA-N 2 0 361.555 3.188 20 0 FGADRP COc1ccc([C@@H](C)[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)cc1Br ZINC000423449079 500375561 /nfs/dbraw/zinc/37/55/61/500375561.db2.gz VZWVOXMWKBQDSB-DIOULYMOSA-N 2 0 353.304 3.496 20 0 FGADRP CCC[C@@H]([NH2+][C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)c1ccc(Cl)cc1 ZINC000423456437 500376114 /nfs/dbraw/zinc/37/61/14/500376114.db2.gz NPXTWXBWSLISAG-GGPKGHCWSA-N 2 0 363.933 3.418 20 0 FGADRP CC(C)Cc1cccc([C@@H](C)[NH2+][C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)c1 ZINC000423457713 500376206 /nfs/dbraw/zinc/37/62/06/500376206.db2.gz PHOIYNUKUDQOPA-CNDZOEFASA-N 2 0 357.542 3.183 20 0 FGADRP C[NH2+]CCC1CCN(C(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000423492418 500378864 /nfs/dbraw/zinc/37/88/64/500378864.db2.gz MZJHIJVNURZSRJ-UHFFFAOYSA-N 2 0 357.542 3.137 20 0 FGADRP Cc1nc(C(C)C)sc1[C@H](C)[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000423503151 500379966 /nfs/dbraw/zinc/37/99/66/500379966.db2.gz FJQGAKMPGNWYKR-OOHWJJMZSA-N 2 0 350.576 3.442 20 0 FGADRP C[C@@H]([NH2+][C@H](CCC[NH3+])c1ccccc1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000423512033 500380696 /nfs/dbraw/zinc/38/06/96/500380696.db2.gz UFVWUWJWCDHHBK-RDTXWAMCSA-N 2 0 364.486 3.360 20 0 FGADRP CC(=O)NCCc1ccc([C@@H](C)[NH2+][C@@H](CCC[NH3+])c2ccccc2)cc1 ZINC000423512497 500381289 /nfs/dbraw/zinc/38/12/89/500381289.db2.gz USSQNQALQMQGJX-VGSWGCGISA-N 2 0 353.510 3.496 20 0 FGADRP C[C@@H]([NH2+][C@@H](CCC[NH3+])c1ccccc1)c1ccc(NS(C)(=O)=O)cc1 ZINC000423515207 500381293 /nfs/dbraw/zinc/38/12/93/500381293.db2.gz XDKOXUGESOEQRR-BEFAXECRSA-N 2 0 361.511 3.189 20 0 FGADRP CSCC1CCC([NH2+]CC2(N)CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000423516093 500381381 /nfs/dbraw/zinc/38/13/81/500381381.db2.gz ARQPRTYQWZTREX-UHFFFAOYSA-N 2 0 361.599 3.491 20 0 FGADRP Cc1cccnc1[C@H]1CCC[C@H]([NH2+]C2CCC([NH+]3CCNCC3)CC2)C1 ZINC000423518366 500381584 /nfs/dbraw/zinc/38/15/84/500381584.db2.gz ZQANLUVHMVCQEZ-QEMIJWRASA-N 2 0 356.558 3.222 20 0 FGADRP CC1(C)[C@@H]([NH2+]C2CCC([NH+]3CCNCC3)CC2)C[C@@H]1OCc1ccccc1 ZINC000423521782 500381646 /nfs/dbraw/zinc/38/16/46/500381646.db2.gz TVFMLTOLUPJDQE-UJKMTWAASA-N 2 0 371.569 3.176 20 0 FGADRP CO[C@H](c1ccccc1)[C@@H](C)[NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1 ZINC000423540661 500383819 /nfs/dbraw/zinc/38/38/19/500383819.db2.gz ABFSGYYNKZSATL-KNQAVFIVSA-N 2 0 367.537 3.346 20 0 FGADRP C[C@H](Cc1ccc(Br)cc1F)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000423548484 500384421 /nfs/dbraw/zinc/38/44/21/500384421.db2.gz RHXBPYIKZWRCDM-UZMCECQYSA-N 2 0 355.295 3.497 20 0 FGADRP C[NH+](C)[C@H](CC(=O)NCCC[N@@H+](C)Cc1ccccc1)c1ccccc1 ZINC000431624265 500400005 /nfs/dbraw/zinc/40/00/05/500400005.db2.gz VSGIPNWZLDSJFZ-OAQYLSRUSA-N 2 0 353.510 3.318 20 0 FGADRP C[C@@H]([NH3+])[C@@H](C)C(=O)N(CCC[NH+](C)C)Cc1ccc(Cl)c(Cl)c1 ZINC000423763004 500400202 /nfs/dbraw/zinc/40/02/02/500400202.db2.gz QSBKIQJGZSWRGD-CHWSQXEVSA-N 2 0 360.329 3.257 20 0 FGADRP O=C(Nc1cccc(CC[NH+]2CCCC2)c1)c1ccc2c(c1)CC[NH2+]CC2 ZINC000423779516 500400629 /nfs/dbraw/zinc/40/06/29/500400629.db2.gz VIMNVCPGGSYNEF-UHFFFAOYSA-N 2 0 363.505 3.265 20 0 FGADRP CCC[NH+]1CCC(NC(=O)N[C@H]2CCCC[C@H]2C[NH+](CC)CC)CC1 ZINC000431661558 500404692 /nfs/dbraw/zinc/40/46/92/500404692.db2.gz AVZZOBNBVDNPHN-HKUYNNGSSA-N 2 0 352.567 3.061 20 0 FGADRP CC(C)[NH+]1CCN(c2cccc(NC(=O)C[C@@H]3CCCC[C@@H]3[NH3+])c2)CC1 ZINC000423837061 500409459 /nfs/dbraw/zinc/40/94/59/500409459.db2.gz GNCGINCKJXAMQD-PXNSSMCTSA-N 2 0 358.530 3.063 20 0 FGADRP COc1ccc(NC(=O)[C@H](c2ccccc2)[NH+]2CCC(C[NH3+])CC2)cc1 ZINC000420274548 500432173 /nfs/dbraw/zinc/43/21/73/500432173.db2.gz OWKXRYITZAVDIH-FQEVSTJZSA-N 2 0 353.466 3.046 20 0 FGADRP C[C@@H]1C[C@@H](NC(=O)CC[C@@H]2CCCC[NH+]2C)CC[N@@H+]1Cc1ccccc1 ZINC000431852268 500434355 /nfs/dbraw/zinc/43/43/55/500434355.db2.gz VVDSOTOBIUUVCC-GIVPXCGWSA-N 2 0 357.542 3.420 20 0 FGADRP [NH3+]C[C@@H]1CCCCN1CCC(=O)N[C@@H](c1cccs1)c1ccccc1 ZINC000420300645 500436370 /nfs/dbraw/zinc/43/63/70/500436370.db2.gz VBWHJEOBZBMCJX-FXAWDEMLSA-N 2 0 357.523 3.157 20 0 FGADRP c1ccc(COc2cncc(C[NH+]3CCC([C@@H]4CC[NH2+]C4)CC3)c2)cc1 ZINC000420315455 500439734 /nfs/dbraw/zinc/43/97/34/500439734.db2.gz MHIAIJPPVFVZEA-OAQYLSRUSA-N 2 0 351.494 3.482 20 0 FGADRP Cc1cc(F)ccc1N1CCC[C@H]([NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)C1=O ZINC000420334232 500443240 /nfs/dbraw/zinc/44/32/40/500443240.db2.gz IWPSSFLECLXOLE-ICSRJNTNSA-N 2 0 359.489 3.094 20 0 FGADRP [NH3+]C[C@H]1C[N@H+](CCCOc2ccc3ccccc3c2)CC12CCOCC2 ZINC000420339901 500444452 /nfs/dbraw/zinc/44/44/52/500444452.db2.gz ZIBMYWNDWNVZGM-FQEVSTJZSA-N 2 0 354.494 3.296 20 0 FGADRP Cc1nc([C@H](C)[N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)oc1-c1ccc(Cl)cc1 ZINC000420347286 500446244 /nfs/dbraw/zinc/44/62/44/500446244.db2.gz GJKKBKWFSJMJIE-MAUKXSAKSA-N 2 0 374.916 3.344 20 0 FGADRP CCC[N@H+](CC)Cc1ccc(C(=O)N2C[C@@H]([NH3+])Cc3ccccc32)cc1 ZINC000424069276 500447270 /nfs/dbraw/zinc/44/72/70/500447270.db2.gz BNCBBUQTFQFJTK-FQEVSTJZSA-N 2 0 351.494 3.449 20 0 FGADRP C[C@H](c1ccc(C(F)(F)F)cc1)[N@@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000420376283 500449959 /nfs/dbraw/zinc/44/99/59/500449959.db2.gz JUFUQFYBOUGSJM-WBMJQRKESA-N 2 0 353.392 3.154 20 0 FGADRP C[C@H](c1ccc(C(F)(F)F)cc1)[N@@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000420376280 500450550 /nfs/dbraw/zinc/45/05/50/500450550.db2.gz JUFUQFYBOUGSJM-MLGOLLRUSA-N 2 0 353.392 3.154 20 0 FGADRP O=C(NCC[N@H+]1CC=CCC1)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000431986629 500451545 /nfs/dbraw/zinc/45/15/45/500451545.db2.gz MTAWEZYMXRECEZ-UHFFFAOYSA-N 2 0 356.514 3.098 20 0 FGADRP COCc1cccc(OCC2(C[N@@H+]3CCC[C@@]4(CC[NH2+]C4)C3)CCC2)c1 ZINC000420381655 500452110 /nfs/dbraw/zinc/45/21/10/500452110.db2.gz RZBISAFXHCNYJE-NRFANRHFSA-N 2 0 358.526 3.458 20 0 FGADRP Cc1cc(C(C)(C)C)cc(C)c1C[N@@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000420384096 500452677 /nfs/dbraw/zinc/45/26/77/500452677.db2.gz RJMYFUMZXGUFBU-IBGZPJMESA-N 2 0 355.530 3.488 20 0 FGADRP Cc1ccc(-c2cnc(C[NH+]3CCC([C@@H]4C[C@H]([NH3+])CCO4)CC3)o2)cc1 ZINC000420389037 500453776 /nfs/dbraw/zinc/45/37/76/500453776.db2.gz LWFWNTRYXLIEHE-MOPGFXCFSA-N 2 0 355.482 3.368 20 0 FGADRP COc1ccc([C@H](C[NH3+])C[NH2+][C@H](C[C@@H]2CCOC2)c2ccccc2)cc1 ZINC000420421872 500458249 /nfs/dbraw/zinc/45/82/49/500458249.db2.gz YWZPXUZYSFAXHG-UCNVEGJOSA-N 2 0 354.494 3.495 20 0 FGADRP C[NH+](C)CCCOC1CCN(C(=O)CC[C@@H]([NH3+])CC2CCCCC2)CC1 ZINC000424177732 500463676 /nfs/dbraw/zinc/46/36/76/500463676.db2.gz UZMWVWNNVALHBA-LJQANCHMSA-N 2 0 367.578 3.024 20 0 FGADRP CO[C@H]1C[C@H]2C[C@@H]([NH2+]CCc3ccc(OCC[NH+]4CCCC4)cc3)C[C@H]2C1 ZINC000424275023 500479770 /nfs/dbraw/zinc/47/97/70/500479770.db2.gz AWHVHUVEALGZQH-MLMHEIKCSA-N 2 0 372.553 3.497 20 0 FGADRP C[C@@H]1CC2(C[N@@H+]1CC(=O)N(Cc1ccccc1)C(C)(C)C)CC[NH2+]CC2 ZINC000424283724 500481018 /nfs/dbraw/zinc/48/10/18/500481018.db2.gz BSCNMKFEGWGSRO-GOSISDBHSA-N 2 0 357.542 3.278 20 0 FGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H](Cc2ccncc2)c2cccs2)CC1 ZINC000424293276 500482215 /nfs/dbraw/zinc/48/22/15/500482215.db2.gz CRWREYQUDZAYKF-QUCCMNQESA-N 2 0 372.582 3.290 20 0 FGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H](C)c2ccc(OC)cc2Cl)CC1 ZINC000424309165 500484710 /nfs/dbraw/zinc/48/47/10/500484710.db2.gz HZOHQHAWEUNZHY-CVEARBPZSA-N 2 0 353.938 3.273 20 0 FGADRP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1cc(Cl)cc(I)c1 ZINC000424378281 500493953 /nfs/dbraw/zinc/49/39/53/500493953.db2.gz NNZKHJMCRHUYOL-DTWKUNHWSA-N 2 0 352.647 3.160 20 0 FGADRP Cc1cc(C[NH3+])cc(NC(=O)NC[C@@H](C2CC2)[N@H+](C)Cc2ccccc2)c1 ZINC000424429840 500503905 /nfs/dbraw/zinc/50/39/05/500503905.db2.gz XWSSVILNYIPRCQ-NRFANRHFSA-N 2 0 366.509 3.486 20 0 FGADRP Cc1cc(C[NH3+])cc(NC(=O)NC[C@@H](C)[N@@H+]2CCc3ccccc3C2)c1 ZINC000424440996 500505883 /nfs/dbraw/zinc/50/58/83/500505883.db2.gz WBIGKKGJRGJBOS-MRXNPFEDSA-N 2 0 352.482 3.022 20 0 FGADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N[C@@H]2CCCC[C@H]2[NH3+])cc1 ZINC000424452518 500507976 /nfs/dbraw/zinc/50/79/76/500507976.db2.gz HWTBKIYDTYOAAG-PWIZWCRZSA-N 2 0 358.530 3.130 20 0 FGADRP C[C@H]([NH2+]Cc1ccc(CN2CCOCC2)cc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000420931233 500534459 /nfs/dbraw/zinc/53/44/59/500534459.db2.gz GISJMXCDEKONEP-UGKGYDQZSA-N 2 0 371.569 3.261 20 0 FGADRP C[C@H]([NH2+]Cc1cccc(CN2CCOCC2)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000420949491 500538723 /nfs/dbraw/zinc/53/87/23/500538723.db2.gz QHNVYSVDUIVSLF-UGKGYDQZSA-N 2 0 371.569 3.261 20 0 FGADRP CC[NH+]1CCC(N2CCC[N@H+](Cc3ccccc3OC(C)C)CC2)CC1 ZINC000420985911 500548213 /nfs/dbraw/zinc/54/82/13/500548213.db2.gz XEMPERLUNYFPIK-UHFFFAOYSA-N 2 0 359.558 3.466 20 0 FGADRP C[C@H]1C[C@@H](N(C)C(=O)NCC[NH+]2CCC3(CCCCC3)CC2)CC[N@@H+]1C ZINC000442593975 500602605 /nfs/dbraw/zinc/60/26/05/500602605.db2.gz KAZLKAZFSRWKIN-OALUTQOASA-N 2 0 364.578 3.157 20 0 FGADRP C[C@H]1CC[N@H+](CCOc2ccc(NC(=O)[C@](C)([NH3+])c3ccccc3)cc2)C1 ZINC000447435404 500605759 /nfs/dbraw/zinc/60/57/59/500605759.db2.gz OHQBWXRNPGSVGZ-HTAPYJJXSA-N 2 0 367.493 3.220 20 0 FGADRP C[NH+](C)[C@@H](CNC(=O)C[N@@H+]1CCC[C@H](c2ccccc2)C1)c1ccccc1 ZINC000433046357 500612942 /nfs/dbraw/zinc/61/29/42/500612942.db2.gz PCAVMLFTONBNTO-VXKWHMMOSA-N 2 0 365.521 3.285 20 0 FGADRP C[NH+]1CCN(Cc2ccc(C[NH2+]C3CCC(C(F)F)CC3)cc2)CC1 ZINC000442712904 500613581 /nfs/dbraw/zinc/61/35/81/500613581.db2.gz HQJULAOKBSMRNT-UHFFFAOYSA-N 2 0 351.485 3.348 20 0 FGADRP C[NH+]1CCN(Cc2ccc(C[NH2+][C@@H]3Cc4[nH]c5ccccc5c4C3)cc2)CC1 ZINC000442720237 500614373 /nfs/dbraw/zinc/61/43/73/500614373.db2.gz SUGGKYGNOZDCMA-FQEVSTJZSA-N 2 0 374.532 3.172 20 0 FGADRP CN(Cc1ccc(Cl)c(Cl)c1)C(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433133180 500631979 /nfs/dbraw/zinc/63/19/79/500631979.db2.gz YNUSSEYXHSONIP-UHFFFAOYSA-N 2 0 358.313 3.155 20 0 FGADRP COc1ccc2cc(CN(C)C(=O)CCC[NH+]3CCC([NH3+])CC3)ccc2c1 ZINC000433141188 500633734 /nfs/dbraw/zinc/63/37/34/500633734.db2.gz MRZCSGOHNWRBEK-UHFFFAOYSA-N 2 0 369.509 3.010 20 0 FGADRP CC(C)COc1ccc([C@H](C)NC(=O)CCC[NH+]2CCC([NH3+])CC2)cc1 ZINC000433141276 500633741 /nfs/dbraw/zinc/63/37/41/500633741.db2.gz NNIGUUPGPOLLEG-KRWDZBQOSA-N 2 0 361.530 3.102 20 0 FGADRP CCCCNC(=O)CC[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433173354 500638989 /nfs/dbraw/zinc/63/89/89/500638989.db2.gz GIGACRBJDZZREQ-UHFFFAOYSA-N 2 0 357.542 3.281 20 0 FGADRP C[C@@H](C(=O)NC(c1ccccc1)c1ccccc1)[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443054793 500669415 /nfs/dbraw/zinc/66/94/15/500669415.db2.gz AEOWYGDTVSUUBV-RBUKOAKNSA-N 2 0 365.521 3.342 20 0 FGADRP Cc1ccc(CN(CC[NH+](C)C)C(=O)C[C@@H](c2ccccc2)[NH+](C)C)o1 ZINC000433315205 500669843 /nfs/dbraw/zinc/66/98/43/500669843.db2.gz DHPMTEPTSLTWLH-FQEVSTJZSA-N 2 0 357.498 3.171 20 0 FGADRP [NH3+]CC[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(OCc3ccccc3)cc2)C1 ZINC000443056837 500670801 /nfs/dbraw/zinc/67/08/01/500670801.db2.gz DJPYBNXMJSCOLI-SFHVURJKSA-N 2 0 367.493 3.265 20 0 FGADRP C[C@H](NC(=O)[C@H](C)[N@@H+]1CCC[C@H](CC[NH3+])C1)c1ccc2ccccc2c1 ZINC000443068988 500674618 /nfs/dbraw/zinc/67/46/18/500674618.db2.gz JCZYCQUZCPRHJL-OKZBNKHCSA-N 2 0 353.510 3.466 20 0 FGADRP O=C(Nc1ccc2c(c1)C[NH2+]CC2)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000573546839 506210565 /nfs/dbraw/zinc/21/05/65/506210565.db2.gz UBUNQSUJTCTPJV-OAQYLSRUSA-N 2 0 364.493 3.291 20 0 FGADRP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)NCCC[NH+](C)Cc2ccccc2)C1 ZINC000448204732 500732998 /nfs/dbraw/zinc/73/29/98/500732998.db2.gz MDOGZGDZACPPLX-NRFANRHFSA-N 2 0 374.573 3.176 20 0 FGADRP Cc1ccccc1OC[C@H](O)C[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000443588246 500742560 /nfs/dbraw/zinc/74/25/60/500742560.db2.gz HYEVAUFDUXYLAY-OAQYLSRUSA-N 2 0 360.542 3.323 20 0 FGADRP CC(C)(CNC(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1)C[NH+]1CCCC1 ZINC000438137860 500743571 /nfs/dbraw/zinc/74/35/71/500743571.db2.gz IJVSNIFLROEFLT-LJQANCHMSA-N 2 0 364.578 3.205 20 0 FGADRP Cc1cccc(CN(CC[NH+](C)C)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)c1 ZINC000443687633 500755857 /nfs/dbraw/zinc/75/58/57/500755857.db2.gz RVSSYAWHVFJZDX-SFHVURJKSA-N 2 0 362.562 3.045 20 0 FGADRP CCN(CCC[NH+]1CCCC1)C(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000438329674 500770583 /nfs/dbraw/zinc/77/05/83/500770583.db2.gz WSMAOJYTQPOFJY-FQEVSTJZSA-N 2 0 364.578 3.301 20 0 FGADRP Cc1cccc(CN(CC[NH+](C)C)C(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)c1 ZINC000434352890 500831103 /nfs/dbraw/zinc/83/11/03/500831103.db2.gz QIBIBWPGDHKINS-NRFANRHFSA-N 2 0 372.557 3.085 20 0 FGADRP O=C(NC[C@H]1CCCC[NH+]1C1CC1)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000434446358 500844180 /nfs/dbraw/zinc/84/41/80/500844180.db2.gz TVBIEHITMSBLCS-WIYYLYMNSA-N 2 0 373.516 3.171 20 0 FGADRP COc1ccc(-n2cc(C[NH+]3CCC(C[NH+]4CCCC4)CC3)cn2)cc1 ZINC000449007977 500894976 /nfs/dbraw/zinc/89/49/76/500894976.db2.gz BTWARBYYKCYQOW-UHFFFAOYSA-N 2 0 354.498 3.189 20 0 FGADRP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3cc4ccccc4c(OC)c3)C2)CC1 ZINC000449023138 500900850 /nfs/dbraw/zinc/90/08/50/500900850.db2.gz NUCKCMWEXKEGPF-FQEVSTJZSA-N 2 0 353.510 3.060 20 0 FGADRP Cc1nn(C)c(C)c1CC[NH2+]C1CC[NH+]([C@H](C)Cc2ccccc2)CC1 ZINC000449069487 500916281 /nfs/dbraw/zinc/91/62/81/500916281.db2.gz XJOFOKBWOGGOES-QGZVFWFLSA-N 2 0 354.542 3.265 20 0 FGADRP C[C@@H](C[NH2+]CCCC[N@@H+]1CCCC[C@H]1C)c1ccc(S(C)(=O)=O)cc1 ZINC000449081212 500919426 /nfs/dbraw/zinc/91/94/26/500919426.db2.gz CPCUYRFQBCJNKA-ZWKOTPCHSA-N 2 0 366.571 3.438 20 0 FGADRP C[NH+](C)CCOc1ccccc1C[NH2+]Cc1ccc2c(c1)OCCCCO2 ZINC000449106052 500926530 /nfs/dbraw/zinc/92/65/30/500926530.db2.gz KNSOGPXODWVDCJ-UHFFFAOYSA-N 2 0 370.493 3.468 20 0 FGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+][C@@H]2CSC[C@@H]2C)CC1 ZINC000449132508 500931953 /nfs/dbraw/zinc/93/19/53/500931953.db2.gz UUCKXFHWFOTTQV-RLFYNMQTSA-N 2 0 351.535 3.370 20 0 FGADRP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]Cc2ccc(OCCO)cc2)CC1 ZINC000449132191 500932082 /nfs/dbraw/zinc/93/20/82/500932082.db2.gz SOBDWFNUVUNJTR-IBGZPJMESA-N 2 0 368.521 3.243 20 0 FGADRP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]Cc2ccc(OCCO)cc2)CC1 ZINC000449132192 500932090 /nfs/dbraw/zinc/93/20/90/500932090.db2.gz SOBDWFNUVUNJTR-LJQANCHMSA-N 2 0 368.521 3.243 20 0 FGADRP COc1cc(C[NH2+]CC2CC[NH+](CCN(C)C)CC2)cc2ccccc21 ZINC000449130793 500932166 /nfs/dbraw/zinc/93/21/66/500932166.db2.gz HVJUIKRAZVZHPG-UHFFFAOYSA-N 2 0 355.526 3.212 20 0 FGADRP C[C@H](C[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)c1ccc(S(C)(=O)=O)cc1 ZINC000449143791 500934626 /nfs/dbraw/zinc/93/46/26/500934626.db2.gz RHKIHWLINSGGAZ-QAPCUYQASA-N 2 0 354.560 3.150 20 0 FGADRP CC[C@@H]1C[C@H]([NH2+]Cc2c(Cl)cccc2N2CC[NH+](C)CC2)CCO1 ZINC000449166672 500938854 /nfs/dbraw/zinc/93/88/54/500938854.db2.gz FMQDENQBEYIVFO-HZPDHXFCSA-N 2 0 351.922 3.139 20 0 FGADRP C[NH2+][C@H](CC(C)(C)C)C(=O)NCC[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000449169818 500939757 /nfs/dbraw/zinc/93/97/57/500939757.db2.gz PLTMEHGCUQUCIP-YSIASYRMSA-N 2 0 359.558 3.428 20 0 FGADRP C[NH2+][C@H](CC(C)(C)C)C(=O)Nc1cccc(N2CC[NH+](C(C)C)CC2)c1 ZINC000449174878 500941354 /nfs/dbraw/zinc/94/13/54/500941354.db2.gz NKPIMKISAMDIRB-LJQANCHMSA-N 2 0 360.546 3.180 20 0 FGADRP O=C(c1ccc(Oc2ccncc2)c(Cl)c1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000435240174 500947128 /nfs/dbraw/zinc/94/71/28/500947128.db2.gz ZVZYDJXAGCQHAZ-HNNXBMFYSA-N 2 0 357.841 3.494 20 0 FGADRP C[C@@H](CCN1CCOCC1)[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449225397 500951695 /nfs/dbraw/zinc/95/16/95/500951695.db2.gz OIIQPEUPVFTWQP-SFHVURJKSA-N 2 0 353.595 3.366 20 0 FGADRP COc1cc(C)ccc1C[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000449235667 500954644 /nfs/dbraw/zinc/95/46/44/500954644.db2.gz VHZZSPPUCRAVAR-OAQYLSRUSA-N 2 0 354.494 3.250 20 0 FGADRP COc1cc(C[NH2+]C(C)(C)CCN2CC[NH+](C)CC2)cc2ccccc21 ZINC000449246745 500956849 /nfs/dbraw/zinc/95/68/49/500956849.db2.gz CSUKRRBPQJLFAD-UHFFFAOYSA-N 2 0 355.526 3.354 20 0 FGADRP O=C(NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)[C@@H]1CCC[NH+]1C1CCCC1 ZINC000439965194 500960640 /nfs/dbraw/zinc/96/06/40/500960640.db2.gz ZUDYZLIZKOXDSW-SFTDATJTSA-N 2 0 355.526 3.174 20 0 FGADRP COC(=O)c1cc2c(o1)c(OC)ccc2C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000435379059 500963869 /nfs/dbraw/zinc/96/38/69/500963869.db2.gz LACFJTBZUHCXIJ-QGZVFWFLSA-N 2 0 372.465 3.192 20 0 FGADRP COc1ccc(Cn2nc(C)c(C[N@@H+]3CCC[C@H]([C@@H](C)[NH3+])C3)c2C)cc1 ZINC000435380533 500964027 /nfs/dbraw/zinc/96/40/27/500964027.db2.gz OQCQSSHXCTYJNU-BEFAXECRSA-N 2 0 356.514 3.116 20 0 FGADRP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)C1 ZINC000435383763 500964559 /nfs/dbraw/zinc/96/45/59/500964559.db2.gz JSWMQVSZIAQCTE-UKRRQHHQSA-N 2 0 352.404 3.450 20 0 FGADRP COc1ccc(CN2CCC[C@@H](C)[C@@H]2C[NH3+])cc1OCc1cccnc1 ZINC000435391357 500967062 /nfs/dbraw/zinc/96/70/62/500967062.db2.gz SEHDGDTYKKKVPB-APWZRJJASA-N 2 0 355.482 3.228 20 0 FGADRP CNC(=O)c1ccc(C[N@H+](Cc2ccsc2)[C@H]2CC23CC[NH2+]CC3)cc1 ZINC000435430485 500973932 /nfs/dbraw/zinc/97/39/32/500973932.db2.gz BYPMRPDCVOYGEI-IBGZPJMESA-N 2 0 369.534 3.252 20 0 FGADRP C[C@@H](Cc1ccccc1)C[N@H+](Cc1nccn1C)[C@@H]1CC12CC[NH2+]CC2 ZINC000435432428 500975015 /nfs/dbraw/zinc/97/50/15/500975015.db2.gz IRDOBAJHBHLDNZ-AZUAARDMSA-N 2 0 352.526 3.243 20 0 FGADRP CSC1(C[NH2+]Cc2cn(C)nc2-c2ccc(F)cc2)CC[NH+](C)CC1 ZINC000449340326 500982453 /nfs/dbraw/zinc/98/24/53/500982453.db2.gz VYBLGVZXVQWAIS-UHFFFAOYSA-N 2 0 362.518 3.143 20 0 FGADRP C[C@H](CCNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)[NH+](C)Cc1ccccc1 ZINC000440272022 500993351 /nfs/dbraw/zinc/99/33/51/500993351.db2.gz TVMINCPKRFQLFF-NQIIRXRSSA-N 2 0 357.542 3.420 20 0 FGADRP Cc1nn(-c2cc[nH+]cc2)cc1CNC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000435726874 501018801 /nfs/dbraw/zinc/01/88/01/501018801.db2.gz BVBYGBYYXKPSED-NRFANRHFSA-N 2 0 353.514 3.462 20 0 FGADRP Fc1ccc(-c2cn3c(n2)CC[C@H]([NH2+][C@H]2CC[N@@H+]4CCC[C@@H]4C2)C3)c(F)c1 ZINC000449548440 501030527 /nfs/dbraw/zinc/03/05/27/501030527.db2.gz NHYRWEMDCXTTIW-YESZJQIVSA-N 2 0 372.463 3.360 20 0 FGADRP CCOC(=O)[C@@H]1CCC[C@@H]1[NH2+]C1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000449581475 501037685 /nfs/dbraw/zinc/03/76/85/501037685.db2.gz AJXJYVJJDXMPSG-WMQCIHAUSA-N 2 0 358.526 3.403 20 0 FGADRP C[C@H]1C[C@@H](CCNC(=O)NCC2([NH+](C)C)CCC2)C[N@@H+]1Cc1ccccc1 ZINC000445875570 501045051 /nfs/dbraw/zinc/04/50/51/501045051.db2.gz OBXPOKAKPULVDH-AZUAARDMSA-N 2 0 372.557 3.071 20 0 FGADRP CCC[NH+]1CCN(c2ccccc2C[N@@H+]2CCC[C@]3(CCOC3)C2)CC1 ZINC000449681991 501061551 /nfs/dbraw/zinc/06/15/51/501061551.db2.gz FOFMGLURMKCNJK-QFIPXVFZSA-N 2 0 357.542 3.221 20 0 FGADRP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](C[C@@H]2CCCCC2(F)F)CC1 ZINC000450422728 501117769 /nfs/dbraw/zinc/11/77/69/501117769.db2.gz NODQZFALYQFVME-KRWDZBQOSA-N 2 0 373.532 3.228 20 0 FGADRP CCc1ccc2[nH+]ccc(N3CCN(C4CC[NH+](C)CC4)[C@H](C)C3)c2c1 ZINC000450422685 501118253 /nfs/dbraw/zinc/11/82/53/501118253.db2.gz VPEQNDIKYFYMQK-QGZVFWFLSA-N 2 0 352.526 3.402 20 0 FGADRP C[N@@H+](CCC(=O)N[C@@H]1CCCc2ccccc21)CC[C@H]1CCCC[NH+]1C ZINC000441367104 501128311 /nfs/dbraw/zinc/12/83/11/501128311.db2.gz GZCGHAOTPHNDTP-TZIWHRDSSA-N 2 0 357.542 3.377 20 0 FGADRP C[N@@H+]1CCN(CC[NH2+]Cc2cc(Cl)cc(C(F)(F)F)c2)CC1(C)C ZINC000441371636 501129052 /nfs/dbraw/zinc/12/90/52/501129052.db2.gz MSJHNDWSFNZRKT-UHFFFAOYSA-N 2 0 363.855 3.474 20 0 FGADRP C[NH+]1CCN(c2cc(C[NH2+]C3CC(C)(c4ccccc4)C3)ccn2)CC1 ZINC000436469004 501132312 /nfs/dbraw/zinc/13/23/12/501132312.db2.gz ODCVUKKWFGVQRA-UHFFFAOYSA-N 2 0 350.510 3.043 20 0 FGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]Cc2cccc(N)c2)CC1 ZINC000436487036 501136769 /nfs/dbraw/zinc/13/67/69/501136769.db2.gz OSZRYTCQTYGMBO-INIZCTEOSA-N 2 0 356.489 3.401 20 0 FGADRP COC[C@H]([NH2+]CC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)C1CCOCC1 ZINC000446921770 501181630 /nfs/dbraw/zinc/18/16/30/501181630.db2.gz UPIPUOKKAZMGHG-UZKOGDIHSA-N 2 0 360.542 3.318 20 0 FGADRP O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000611639546 506239402 /nfs/dbraw/zinc/23/94/02/506239402.db2.gz JPRIIBPYAJUZNE-RTBURBONSA-N 2 0 374.529 3.076 20 0 FGADRP CCC1([NH2+]CC(=O)NC2CC[NH+](Cc3ccccc3C)CC2)CCCC1 ZINC000451279170 501257020 /nfs/dbraw/zinc/25/70/20/501257020.db2.gz WIKHVHYODRNDDB-UHFFFAOYSA-N 2 0 357.542 3.388 20 0 FGADRP O=C(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC000451323649 501264809 /nfs/dbraw/zinc/26/48/09/501264809.db2.gz VXADTMBIYQJPLW-IRLDBZIGSA-N 2 0 369.553 3.422 20 0 FGADRP O=C1CCCCN1CCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000453088190 501266514 /nfs/dbraw/zinc/26/65/14/501266514.db2.gz ADLBBBFFALNMKO-YPAWHYETSA-N 2 0 369.553 3.422 20 0 FGADRP C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)NC(C)(C)C[NH+](C)C)cc2)C1 ZINC000457641755 501274320 /nfs/dbraw/zinc/27/43/20/501274320.db2.gz DJRDESCWWPYXOQ-KRWDZBQOSA-N 2 0 360.546 3.058 20 0 FGADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)NCC[C@H]1CCC[NH+](C)C1 ZINC000457654784 501278771 /nfs/dbraw/zinc/27/87/71/501278771.db2.gz UCSYJCDDULOLKY-GOSISDBHSA-N 2 0 360.546 3.058 20 0 FGADRP c1nnc(C2CC2)n1CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000453148064 501279498 /nfs/dbraw/zinc/27/94/98/501279498.db2.gz QRPIFLDPVXDVHJ-HKBOAZHASA-N 2 0 365.525 3.188 20 0 FGADRP CCC(=O)N1CC[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)C1 ZINC000453153533 501280620 /nfs/dbraw/zinc/28/06/20/501280620.db2.gz VFPKNHGVKDDFBW-UWHLTILDSA-N 2 0 355.526 3.030 20 0 FGADRP C[C@@H]1C[NH+](CCOc2ccc(CC[NH2+][C@H]3CCn4ccnc43)cc2)C[C@H]1C ZINC000453160800 501281953 /nfs/dbraw/zinc/28/19/53/501281953.db2.gz IANIGVVBJCDPIG-OPYAIIAOSA-N 2 0 368.525 3.127 20 0 FGADRP COc1ccc2c(c1)C[C@@H]([NH2+]C[C@@H]1CC[N@H+](Cc3ccccc3)C1)CO2 ZINC000453207930 501291395 /nfs/dbraw/zinc/29/13/95/501291395.db2.gz BYDNDIJXIDSGER-AZUAARDMSA-N 2 0 352.478 3.110 20 0 FGADRP CCNC(=O)C1(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)CCC1 ZINC000453224793 501294433 /nfs/dbraw/zinc/29/44/33/501294433.db2.gz XASWYOPKMQIDLP-NJYVYQBISA-N 2 0 369.553 3.326 20 0 FGADRP OCCCN1CCC[C@H]([NH2+][C@@H](c2cccc(OC(F)(F)F)c2)C2CC2)C1 ZINC000453282312 501307611 /nfs/dbraw/zinc/30/76/11/501307611.db2.gz DRUPFDGCTYXVKW-FUHWJXTLSA-N 2 0 372.431 3.473 20 0 FGADRP CC[C@@H]([NH2+][C@@H](CCC[NH+]1CCC(C)CC1)c1ccc(F)cc1)C(=O)NC ZINC000453396218 501324464 /nfs/dbraw/zinc/32/44/64/501324464.db2.gz HINOYXIOWZCDSV-UXHICEINSA-N 2 0 363.521 3.493 20 0 FGADRP CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCCCC[NH+](C)C1CC1 ZINC000455607635 501346092 /nfs/dbraw/zinc/34/60/92/501346092.db2.gz JCJOVYKSEJYXHM-HXUWFJFHSA-N 2 0 372.557 3.024 20 0 FGADRP CC[N@H+](Cc1ccc(C(=O)NCc2ccc3c[nH+]cn3c2)cc1)C(C)C ZINC000457981270 501349710 /nfs/dbraw/zinc/34/97/10/501349710.db2.gz WNEJPROPPNNXTF-UHFFFAOYSA-N 2 0 350.466 3.495 20 0 FGADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@@H](c1cccs1)C(C)(C)CO ZINC000453578071 501352187 /nfs/dbraw/zinc/35/21/87/501352187.db2.gz PPFDZGQMUYPWSU-SFHVURJKSA-N 2 0 356.495 3.487 20 0 FGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+]Cc2sc(C)cc2Br)CC1 ZINC000453587860 501354975 /nfs/dbraw/zinc/35/49/75/501354975.db2.gz LIQGDZAFAZRTRK-CYBMUJFWSA-N 2 0 374.392 3.182 20 0 FGADRP CC[NH+]1CCN(CC(C)(C)[NH2+]CCOc2ccc3ccccc3c2)CC1 ZINC000451981293 501412733 /nfs/dbraw/zinc/41/27/33/501412733.db2.gz IZRKHRMVYDVOMI-UHFFFAOYSA-N 2 0 355.526 3.224 20 0 FGADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000455909082 501412841 /nfs/dbraw/zinc/41/28/41/501412841.db2.gz ILDAXIYQKVXYHC-GUXCAODWSA-N 2 0 358.530 3.477 20 0 FGADRP C[NH+](C)[C@H]1CCc2cc(NC(=O)N3CC[C@H](C4CC[NH+](C)CC4)C3)ccc21 ZINC000455935043 501419905 /nfs/dbraw/zinc/41/99/05/501419905.db2.gz RERWRLZQPSBKKM-RXVVDRJESA-N 2 0 370.541 3.431 20 0 FGADRP CC[C@H]1C[N@H+](CC)CCN1C(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000458396835 501435592 /nfs/dbraw/zinc/43/55/92/501435592.db2.gz DBLUEYFVLXKHLV-NQIIRXRSSA-N 2 0 372.557 3.338 20 0 FGADRP C[C@@H](NC(=O)NC(C)(C)C[NH+]1CCCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000458663795 501501941 /nfs/dbraw/zinc/50/19/41/501501941.db2.gz FUAYYMBDBIBAKB-UYAOXDASSA-N 2 0 372.557 3.071 20 0 FGADRP C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)NC2CC[NH+](C3CCC3)CC2)C1 ZINC000454363433 501523763 /nfs/dbraw/zinc/52/37/63/501523763.db2.gz LNHRGHVPSVZHRD-IRXDYDNUSA-N 2 0 364.578 3.059 20 0 FGADRP O=C(NC1CC[NH+](C2CCC2)CC1)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000456680689 501575499 /nfs/dbraw/zinc/57/54/99/501575499.db2.gz FWCOKZTUKCYXGF-SFHVURJKSA-N 2 0 373.516 3.171 20 0 FGADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)NCCCC[NH+](C)C1CC1 ZINC000454619989 501593915 /nfs/dbraw/zinc/59/39/15/501593915.db2.gz OMXNUJMEUJTZQN-GHTZIAJQSA-N 2 0 372.557 3.071 20 0 FGADRP CC[N@H+](CCNC(=O)NC[C@@H](c1ccc(C)cc1)[NH+]1CCCC1)C(C)C ZINC000588291735 506263040 /nfs/dbraw/zinc/26/30/40/506263040.db2.gz UEHDPNDLVJHUCG-FQEVSTJZSA-N 2 0 360.546 3.161 20 0 FGADRP CCOCC[C@@H](O)C[N@@H+]1CC(C)(C)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000453030714 501604688 /nfs/dbraw/zinc/60/46/88/501604688.db2.gz YQSDJPKJJIMTES-YADHBBJMSA-N 2 0 374.569 3.397 20 0 FGADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000459267038 501621871 /nfs/dbraw/zinc/62/18/71/501621871.db2.gz QKPLCUPGLCYUSM-GOSISDBHSA-N 2 0 360.546 3.012 20 0 FGADRP CN(C(=O)NCC[C@@H]1CCC[NH+](C)C1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000459270011 501622678 /nfs/dbraw/zinc/62/26/78/501622678.db2.gz UTXQDXUGSVECNF-SFTDATJTSA-N 2 0 372.557 3.024 20 0 FGADRP C[C@@H]1CN(c2ccccc2CN2CCC[C@@H]([NH+]3CCCC3)CC2)CCO1 ZINC000459350822 501637180 /nfs/dbraw/zinc/63/71/80/501637180.db2.gz SVBYQDKIGBISND-TZIWHRDSSA-N 2 0 357.542 3.362 20 0 FGADRP C[C@@H]1C[C@H](NC(=O)NC[C@H](C2CC2)[N@H+](C)Cc2ccccc2)c2nccn21 ZINC000454824981 501638050 /nfs/dbraw/zinc/63/80/50/501638050.db2.gz SLLKGQOSZDLZPK-AYOQOUSVSA-N 2 0 367.497 3.099 20 0 FGADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]Cc2ccccc2N2CCO[C@H](C)C2)C1 ZINC000459447409 501655661 /nfs/dbraw/zinc/65/56/61/501655661.db2.gz JODXQBSJCHUTKC-WOJBJXKFSA-N 2 0 359.558 3.369 20 0 FGADRP c1cc(N2CCC([NH2+]CCCc3ccc4c(c3)OCCO4)CC2)cc[nH+]1 ZINC000459450122 501655904 /nfs/dbraw/zinc/65/59/04/501655904.db2.gz YEJBCBYDHPQULW-UHFFFAOYSA-N 2 0 353.466 3.044 20 0 FGADRP O=C(C[N@@H+]1CCCCC[C@@H]1C1CC[NH+](Cc2ccccc2)CC1)N1CCC1 ZINC000459540455 501672971 /nfs/dbraw/zinc/67/29/71/501672971.db2.gz YLCRPFQYZAPABK-JOCHJYFZSA-N 2 0 369.553 3.376 20 0 FGADRP CC(C)[NH+]1CCC(NC(=O)C[N@H+](C)[C@H]2CCC[C@H]2c2ccccc2)CC1 ZINC000459678641 501697671 /nfs/dbraw/zinc/69/76/71/501697671.db2.gz RWQOOYXNWMQSDB-SFTDATJTSA-N 2 0 357.542 3.244 20 0 FGADRP CC(C)(C[NH+]1CCCC1)NC(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000457477325 501706548 /nfs/dbraw/zinc/70/65/48/501706548.db2.gz BKWWNINUHIRWGW-MRXNPFEDSA-N 2 0 364.559 3.059 20 0 FGADRP CCOc1cc(C[NH2+]CC[C@H]2CCC[N@H+](C)C2)cc(Br)c1O ZINC000459791711 501714645 /nfs/dbraw/zinc/71/46/45/501714645.db2.gz RPMCUKNIRBYAAA-CYBMUJFWSA-N 2 0 371.319 3.375 20 0 FGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000470603052 501739492 /nfs/dbraw/zinc/73/94/92/501739492.db2.gz SAZSSKJTXLBWRD-SJORKVTESA-N 2 0 371.447 3.299 20 0 FGADRP CCCC[N@H+](C)C[C@H](C)NC(=O)NC[C@H](c1ccc(C)o1)[NH+]1CCCC1 ZINC000460154924 501743054 /nfs/dbraw/zinc/74/30/54/501743054.db2.gz LRXYCNREEHCASG-FUHWJXTLSA-N 2 0 364.534 3.145 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@H]([C@H]3CCOC3)C2)[C@H](C)C1 ZINC000467354153 501775798 /nfs/dbraw/zinc/77/57/98/501775798.db2.gz LXLPRQOALGCSGY-IFLJBQAJSA-N 2 0 352.563 3.308 20 0 FGADRP CN1CCO[C@@H]([C@@H]([NH2+]CC2(C)CC[NH+](C)CC2)c2ccc(Cl)cc2)C1 ZINC000467630738 501836553 /nfs/dbraw/zinc/83/65/53/501836553.db2.gz SADHHAAWJXNZTC-MOPGFXCFSA-N 2 0 365.949 3.033 20 0 FGADRP O=C([C@@H]1CCCC[N@@H+]1Cc1ccccc1)N1CCC2(CC[NH2+]CC2)CC1 ZINC000477949519 501837650 /nfs/dbraw/zinc/83/76/50/501837650.db2.gz GBMLLGCPJDORQZ-FQEVSTJZSA-N 2 0 355.526 3.033 20 0 FGADRP CCOC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccccc1CN1CC[NH+](CC)CC1 ZINC000474464489 501844436 /nfs/dbraw/zinc/84/44/36/501844436.db2.gz POTKKULXSZNUDL-VXKWHMMOSA-N 2 0 359.558 3.119 20 0 FGADRP CCCC[N@H+](C)C[C@H](C)NC(=O)N[C@@H](C)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000460655229 501887282 /nfs/dbraw/zinc/88/72/82/501887282.db2.gz KZKQFCMXZHGGRN-IRFCIJBXSA-N 2 0 374.573 3.317 20 0 FGADRP CCC(CC)[C@H](CNC(=O)N1CC[C@@H]([NH+]2CCCC2)[C@@H]1C)[NH+]1CCCC1 ZINC000478175470 501901251 /nfs/dbraw/zinc/90/12/51/501901251.db2.gz LAEXBFKTEKLJRU-SXLOBPIMSA-N 2 0 364.578 3.155 20 0 FGADRP CC[NH+]1CCN(c2ccc(C[NH2+]Cc3cc(F)cc(Cl)c3)cn2)CC1 ZINC000485699154 501905771 /nfs/dbraw/zinc/90/57/71/501905771.db2.gz WSASIBFBXJMNKG-UHFFFAOYSA-N 2 0 362.880 3.306 20 0 FGADRP C[C@@H]1CCC[C@@](CNC(=O)c2ccc(Nc3cc[nH+]cc3)cc2)([NH+](C)C)C1 ZINC000467958603 501913462 /nfs/dbraw/zinc/91/34/62/501913462.db2.gz KTLQAWGDYMBYJQ-VGOFRKELSA-N 2 0 366.509 3.487 20 0 FGADRP CC[C@@H]([NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1)c1ccc(OC)cc1 ZINC000482113466 501978219 /nfs/dbraw/zinc/97/82/19/501978219.db2.gz JEERMVYCROUYMY-JOCHJYFZSA-N 2 0 368.525 3.343 20 0 FGADRP c1cc2c(s1)CCC[C@H]2[NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000482121812 501981341 /nfs/dbraw/zinc/98/13/41/501981341.db2.gz OMIYPBVKMAZERH-LJQANCHMSA-N 2 0 356.539 3.322 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC2(c3ccccc3OC)CC2)[C@H](C)C1 ZINC000482129043 501982963 /nfs/dbraw/zinc/98/29/63/501982963.db2.gz RKXIDNDLCMDILI-QUCCMNQESA-N 2 0 360.542 3.453 20 0 FGADRP CCOc1ccccc1[C@@H](C)[NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000482127230 501983661 /nfs/dbraw/zinc/98/36/61/501983661.db2.gz ZYEZTNQVMSNMJA-LJQANCHMSA-N 2 0 368.525 3.343 20 0 FGADRP COc1ccnc(CN2C[C@@H](C)[N@H+](Cc3ccccc3)C[C@@H]2C)c1OC ZINC000474978858 502009403 /nfs/dbraw/zinc/00/94/03/502009403.db2.gz NKOCNIVYTQQYRH-SJORKVTESA-N 2 0 355.482 3.194 20 0 FGADRP CN(C(=O)NCC1([NH+](C)C)CCCCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475018439 502022784 /nfs/dbraw/zinc/02/27/84/502022784.db2.gz UZSMOBIMQHMYMZ-FQEVSTJZSA-N 2 0 372.557 3.167 20 0 FGADRP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000461267404 502058087 /nfs/dbraw/zinc/05/80/87/502058087.db2.gz SFBZTMMROXEFED-NRFANRHFSA-N 2 0 357.542 3.231 20 0 FGADRP C/C=C\COc1ccc(CC[C@H](C)[NH2+]C[C@H](C)N2CC[NH+](C)CC2)cc1 ZINC000468441138 502060351 /nfs/dbraw/zinc/06/03/51/502060351.db2.gz AYCIYTJPGZHJNF-XHHZUUQWSA-N 2 0 359.558 3.188 20 0 FGADRP C[C@H](CNC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCCC[C@H]1C ZINC000475127662 502070056 /nfs/dbraw/zinc/07/00/56/502070056.db2.gz DEPSPCXMADLJOT-SBHAEUEKSA-N 2 0 372.557 3.165 20 0 FGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]C[C@H]2CCO[C@@H](C)C2)CC1 ZINC000486199663 502080195 /nfs/dbraw/zinc/08/01/95/502080195.db2.gz PMXKCHJTEHCQBJ-BZSNNMDCSA-N 2 0 363.521 3.433 20 0 FGADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1ccc(-c2ccncc2)cc1 ZINC000471604657 502084549 /nfs/dbraw/zinc/08/45/49/502084549.db2.gz YSXJLYWUNIMJQZ-OALUTQOASA-N 2 0 352.526 3.425 20 0 FGADRP CCN(CCC[NH+](C)C)C(=O)NC[C@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC000468521724 502089896 /nfs/dbraw/zinc/08/98/96/502089896.db2.gz FEABXBDFNYJQOB-OAQYLSRUSA-N 2 0 374.573 3.443 20 0 FGADRP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000482529429 502101531 /nfs/dbraw/zinc/10/15/31/502101531.db2.gz GTAJCYPEDTTWEP-INIZCTEOSA-N 2 0 357.464 3.254 20 0 FGADRP CCCC[C@@H](COC)[NH2+][C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000482539353 502105446 /nfs/dbraw/zinc/10/54/46/502105446.db2.gz BWTJXADSDOFTQD-WMZOPIPTSA-N 2 0 351.510 3.433 20 0 FGADRP O=C(NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)C12CCC[NH+]1CCC2 ZINC000461468259 502125599 /nfs/dbraw/zinc/12/55/99/502125599.db2.gz HOAQHWYQJBGDNA-FQEVSTJZSA-N 2 0 355.526 3.033 20 0 FGADRP COC(=O)CC1CCC([NH2+]CC2CC[NH+](Cc3ccncc3)CC2)CC1 ZINC000599054187 506295979 /nfs/dbraw/zinc/29/59/79/506295979.db2.gz KZFOXQBWUKYLFH-UHFFFAOYSA-N 2 0 359.514 3.005 20 0 FGADRP C[C@@H](C[NH+]1CCCCCC1)NC(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000482683930 502151473 /nfs/dbraw/zinc/15/14/73/502151473.db2.gz ZPHUXWMJIVVXAN-IBGZPJMESA-N 2 0 372.557 3.346 20 0 FGADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC000464947085 502153294 /nfs/dbraw/zinc/15/32/94/502153294.db2.gz DJTJYWHTEFBPER-MOPGFXCFSA-N 2 0 366.594 3.164 20 0 FGADRP CC(C)[NH+]1CCC(C(=O)N2CCC([N@@H+]3CCc4ccccc4C3)CC2)CC1 ZINC000468714542 502156457 /nfs/dbraw/zinc/15/64/57/502156457.db2.gz MOSPZJNXGZQTLK-UHFFFAOYSA-N 2 0 369.553 3.156 20 0 FGADRP CC[C@H](C)[NH2+][C@H](CNC(=O)NC[C@@H](C)[N@@H+]1CCCC[C@@H]1C)c1ccco1 ZINC000479280020 502213377 /nfs/dbraw/zinc/21/33/77/502213377.db2.gz JBOCCYWFTXSYID-WNRNVDISSA-N 2 0 364.534 3.271 20 0 FGADRP CCN(CCC[NH+]1CCCC1)C(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC000472095775 502229878 /nfs/dbraw/zinc/22/98/78/502229878.db2.gz PWFNERKRXWRABX-GOSISDBHSA-N 2 0 352.567 3.014 20 0 FGADRP CCN(CC[NH+]1CCCCCC1)C(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000479344468 502230297 /nfs/dbraw/zinc/23/02/97/502230297.db2.gz IYQMGVVJSSHHSV-GOSISDBHSA-N 2 0 366.575 3.258 20 0 FGADRP CCN(CCC[NH+]1CCCC1)C(=O)NC[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000472109829 502234952 /nfs/dbraw/zinc/23/49/52/502234952.db2.gz DWBIZZGUBWYEFF-ICSRJNTNSA-N 2 0 352.567 3.014 20 0 FGADRP C[C@H](CCCCN1C(=O)c2ccccc2C1=O)[NH2+]C[C@H](C)C[NH+]1CCCC1 ZINC000472143880 502246713 /nfs/dbraw/zinc/24/67/13/502246713.db2.gz IZZOOBUJCKMWKY-ZWKOTPCHSA-N 2 0 371.525 3.163 20 0 FGADRP CC(C)(CC[NH+]1CCCCCC1)NC(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000483084516 502266907 /nfs/dbraw/zinc/26/69/07/502266907.db2.gz DXIHHYXMQNQJGF-GOSISDBHSA-N 2 0 364.578 3.347 20 0 FGADRP CC(C)COC[C@H](O)C[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000475738351 502274879 /nfs/dbraw/zinc/27/48/79/502274879.db2.gz JIWUDLRABQMQMV-YADHBBJMSA-N 2 0 360.542 3.008 20 0 FGADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](CCC(=O)Nc2ccc(Cl)cc2)C1 ZINC000472258870 502287252 /nfs/dbraw/zinc/28/72/52/502287252.db2.gz KRUSYBNCKSQDKR-SFHVURJKSA-N 2 0 367.921 3.101 20 0 FGADRP C[C@@H]([NH2+]CCCC[NH+]1CCN(CCO)CC1)c1ccc(Cl)c(Cl)c1 ZINC000483141549 502288274 /nfs/dbraw/zinc/28/82/74/502288274.db2.gz JXYCLQXFINJPLT-OAHLLOKOSA-N 2 0 374.356 3.034 20 0 FGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]C2CCN(c3cccc(C)n3)CC2)[C@@H](C)C1 ZINC000483176026 502302806 /nfs/dbraw/zinc/30/28/06/502302806.db2.gz JKXGSEYVWPLUHJ-GHTZIAJQSA-N 3 0 374.573 3.085 20 0 FGADRP CC[NH+]1CCN(c2ccc(C[NH2+]Cc3sccc3Cl)cn2)CC1 ZINC000486933543 502308159 /nfs/dbraw/zinc/30/81/59/502308159.db2.gz GBYLLURHIIFBRU-UHFFFAOYSA-N 2 0 350.919 3.228 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@@H]2CC[NH+](Cc3ccccc3)C2)C[C@@H]1C ZINC000472312677 502310320 /nfs/dbraw/zinc/31/03/20/502310320.db2.gz JUFTWIQVDVZEBD-JBACZVJFSA-N 2 0 372.557 3.023 20 0 FGADRP C[C@H](CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)[NH+](C)Cc1ccccc1 ZINC000483196444 502310754 /nfs/dbraw/zinc/31/07/54/502310754.db2.gz JMMPJOUBKPITDP-QUCCMNQESA-N 2 0 357.542 3.278 20 0 FGADRP CN(C)c1ncc(C[N@@H+]2CCCC[C@@H]2[C@H](C[NH3+])Cc2ccccc2)s1 ZINC000472351543 502326693 /nfs/dbraw/zinc/32/66/93/502326693.db2.gz SWRCIVZITVWYOX-PKOBYXMFSA-N 2 0 358.555 3.381 20 0 FGADRP COC(=O)c1coc(C[N@@H+]2CCCC[C@H]2[C@H](C[NH3+])Cc2ccccc2)c1 ZINC000472363873 502329737 /nfs/dbraw/zinc/32/97/37/502329737.db2.gz ABDZKJPPMMSGIK-PXNSSMCTSA-N 2 0 356.466 3.238 20 0 FGADRP COC(=O)c1ccc(C[N@@H+]2CCCC[C@H]2[C@H](C[NH3+])Cc2ccccc2)o1 ZINC000472376522 502334981 /nfs/dbraw/zinc/33/49/81/502334981.db2.gz XTHVBFLLVOWBIE-HKUYNNGSSA-N 2 0 356.466 3.238 20 0 FGADRP C[C@@H](NC(=O)NCC[N@H+](C)C1CCCC1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000487037743 502337480 /nfs/dbraw/zinc/33/74/80/502337480.db2.gz ROLCXHWICBQVMV-QUCCMNQESA-N 2 0 372.557 3.071 20 0 FGADRP C[C@@H](NC(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1)[C@@H](c1ccccc1)[NH+](C)C ZINC000479680745 502342212 /nfs/dbraw/zinc/34/22/12/502342212.db2.gz YFTUEAOXZSBUIC-SBHAEUEKSA-N 2 0 374.573 3.489 20 0 FGADRP O=C(NC1CC[NH+](C2CCCCC2)CC1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000476005526 502356095 /nfs/dbraw/zinc/35/60/95/502356095.db2.gz MBGHXZRBLDITEO-HXUWFJFHSA-N 2 0 362.562 3.053 20 0 FGADRP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1)C1(c2ccccc2)CCCC1 ZINC000476011715 502357646 /nfs/dbraw/zinc/35/76/46/502357646.db2.gz NWUJGZUZGWWNSU-RTBURBONSA-N 2 0 357.542 3.064 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)N1CC[N@H+](C)[C@@H](C(C)C)C1)c1ccsc1 ZINC000487103828 502360252 /nfs/dbraw/zinc/36/02/52/502360252.db2.gz OCAHUIGCEQBMAI-ZWKOTPCHSA-N 2 0 366.575 3.113 20 0 FGADRP Cc1ccc(CN(C(=O)CN2CC[C@@H](C[N@H+](C)CC3CC3)C2)C2CC2)cc1 ZINC000472477342 502362938 /nfs/dbraw/zinc/36/29/38/502362938.db2.gz LDRKDFLDZJTRPM-NRFANRHFSA-N 2 0 369.553 3.150 20 0 FGADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)NC[C@@H](c2ccco2)[NH+](CC)CC)C1 ZINC000465809765 502391229 /nfs/dbraw/zinc/39/12/29/502391229.db2.gz JTSMRUPBZRBSNS-ROUUACIJSA-N 2 0 364.534 3.036 20 0 FGADRP C[C@H](NCc1c(Br)cnn1C)c1cccc(-n2ccnc2)c1 ZINC000487288224 502409237 /nfs/dbraw/zinc/40/92/37/502409237.db2.gz MAGJDTIVBHCADR-LBPRGKRZSA-N 2 0 360.259 3.219 20 0 FGADRP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N(C)CC[C@@H]2CCCC[NH+]2C)C1 ZINC000465872805 502410771 /nfs/dbraw/zinc/41/07/71/502410771.db2.gz KWUNUXTYXUVXHF-OALUTQOASA-N 2 0 366.594 3.403 20 0 FGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]C[C@@H]2CCSC2)CC1 ZINC000487297118 502411590 /nfs/dbraw/zinc/41/15/90/502411590.db2.gz HMUZSWFLNZDBGM-HOTGVXAUSA-N 2 0 351.535 3.371 20 0 FGADRP CCc1ccc([C@H](CNC(=O)N(C)[C@@H]2CC[N@@H+](CC)[C@H](C)C2)[NH+](C)C)cc1 ZINC000483513095 502415939 /nfs/dbraw/zinc/41/59/39/502415939.db2.gz BGNYTCRBNQEHQL-UIFIKXQLSA-N 2 0 374.573 3.366 20 0 FGADRP C[C@@H](CNC(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1)[NH+](C)Cc1ccccc1 ZINC000465890952 502416531 /nfs/dbraw/zinc/41/65/31/502416531.db2.gz KPUPGCBDAUYLKO-GHTZIAJQSA-N 2 0 372.557 3.071 20 0 FGADRP CC(C)[C@@H](C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1)[NH+](C)C ZINC000483567410 502434264 /nfs/dbraw/zinc/43/42/64/502434264.db2.gz JIGPKKFTJBXAHI-ACRUOGEOSA-N 2 0 357.542 3.086 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)[C@H]2CCN2Cc2ccccc2)C1 ZINC000469523060 502451072 /nfs/dbraw/zinc/45/10/72/502451072.db2.gz CNDXDKNIOKNUEF-BAGYTPMASA-N 2 0 369.553 3.374 20 0 FGADRP CSC1(C[NH2+][C@H](C)CC(=O)Nc2cccc(Cl)c2)CC[NH+](C)CC1 ZINC000582598981 506319458 /nfs/dbraw/zinc/31/94/58/506319458.db2.gz PSFPENGNOLSSTJ-CQSZACIVSA-N 2 0 369.962 3.474 20 0 FGADRP CCc1ccc([C@@H](CNC(=O)NC[C@H]2CCCC[N@H+]2CC)[NH+](C)C)cc1 ZINC000476631425 502544888 /nfs/dbraw/zinc/54/48/88/502544888.db2.gz RLCPNFNSJPVJNH-WOJBJXKFSA-N 2 0 360.546 3.025 20 0 FGADRP C[C@@H](NC(=O)N[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(C)(C)C[NH+](C)C ZINC000487844289 502545370 /nfs/dbraw/zinc/54/53/70/502545370.db2.gz VDNCUOARVNTFKN-NLWGTHIKSA-N 2 0 374.573 3.173 20 0 FGADRP C[C@@H]1CN(C(=O)NCCC[NH+](C)C2CCCCC2)CC[N@@H+](C2CCC2)C1 ZINC000487857355 502548418 /nfs/dbraw/zinc/54/84/18/502548418.db2.gz JTNNAVYBKJSOBT-SFHVURJKSA-N 2 0 364.578 3.157 20 0 FGADRP COC1(C[NH2+]Cc2c(Cl)cccc2N2CC[NH+](C)CC2)CCCC1 ZINC000480369948 502549382 /nfs/dbraw/zinc/54/93/82/502549382.db2.gz ZGXNGQAWXLVWTR-UHFFFAOYSA-N 2 0 351.922 3.141 20 0 FGADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)Nc1ccccc1N1CCC(C[NH+](C)C)CC1 ZINC000473276713 502556892 /nfs/dbraw/zinc/55/68/92/502556892.db2.gz LOOCIFYIAFNVRB-QZTJIDSGSA-N 2 0 372.557 3.276 20 0 FGADRP Cc1ccccc1[C@H]1C[C@H](NC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)C1 ZINC000466394909 502557535 /nfs/dbraw/zinc/55/75/35/502557535.db2.gz FZGINPSJFWVHCR-MXVIHJGJSA-N 2 0 374.573 3.156 20 0 FGADRP CCC[C@@H]([NH2+]C(C)C)C(=O)Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1 ZINC000473323886 502566522 /nfs/dbraw/zinc/56/65/22/502566522.db2.gz HLJQNHFSAGKPPM-OAQYLSRUSA-N 2 0 372.557 3.324 20 0 FGADRP C[N@H+](Cc1cc(Br)c2c(c1)OCCCO2)CC(C)(C)C[NH3+] ZINC000469862777 502573114 /nfs/dbraw/zinc/57/31/14/502573114.db2.gz NIGIEALGIJFHSY-UHFFFAOYSA-N 2 0 357.292 3.027 20 0 FGADRP Cc1nn(C(C)C)cc1C[NH2+]CCCN1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000462789930 502574288 /nfs/dbraw/zinc/57/42/88/502574288.db2.gz LMBHOOGEJIPDKH-QFIPXVFZSA-N 2 0 369.557 3.241 20 0 FGADRP CCOc1c(Br)cc(CN2C[C@H](C[NH3+])C[C@@H]2C)cc1OC ZINC000469868050 502575518 /nfs/dbraw/zinc/57/55/18/502575518.db2.gz XBTPJFPCTKVEFC-AAEUAGOBSA-N 2 0 357.292 3.026 20 0 FGADRP COc1ccc([C@H](Cc2ccc(F)cc2)[NH2+]CC2(O)CC[NH+](C)CC2)cc1 ZINC000484135875 502579558 /nfs/dbraw/zinc/57/95/58/502579558.db2.gz CZKWPYQSSRVEMU-NRFANRHFSA-N 2 0 372.484 3.164 20 0 FGADRP CNC(=O)CCC[NH2+][C@H](CCC[NH+]1CCC(C)CC1)c1ccc(F)cc1 ZINC000462801775 502581272 /nfs/dbraw/zinc/58/12/72/502581272.db2.gz KFVUOVWYMJCJAC-HXUWFJFHSA-N 2 0 363.521 3.495 20 0 FGADRP CCOc1cc2[nH+]ccc(N3CC[N@H+](CCOC)[C@H](C)C3)c2cc1OCC ZINC000462808926 502584427 /nfs/dbraw/zinc/58/44/27/502584427.db2.gz QIXPLWLEUKNJCI-MRXNPFEDSA-N 2 0 373.497 3.189 20 0 FGADRP C[C@H]([NH2+]C[C@]1(O)CCN(Cc2ccccc2)C1)c1ccc2c(c1)CCC2 ZINC000484155839 502588366 /nfs/dbraw/zinc/58/83/66/502588366.db2.gz FJOQMVDQMGAFJJ-FDDCHVKYSA-N 2 0 350.506 3.463 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H](NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)[C@H](C)C1 ZINC000480601480 502617022 /nfs/dbraw/zinc/61/70/22/502617022.db2.gz AHOYPXWUOMNVDH-NCYKPQTJSA-N 3 0 353.595 3.081 20 0 FGADRP O=C([C@@H]1CCC[N@H+](Cc2cc(-c3ccccc3)cs2)C1)N1CC[NH2+]CC1 ZINC000470021038 502632500 /nfs/dbraw/zinc/63/25/00/502632500.db2.gz PDXZUYVNENAGAH-GOSISDBHSA-N 2 0 369.534 3.059 20 0 FGADRP C[NH+](C)Cc1ccsc1C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000473574425 502642188 /nfs/dbraw/zinc/64/21/88/502642188.db2.gz ZHVZCIUCVAKDBV-KDURUIRLSA-N 2 0 369.534 3.014 20 0 FGADRP CC(C)[C@@H](CNC1CC[NH+](Cc2ccccn2)CC1)[NH+]1CCC(C)CC1 ZINC000480741797 502658431 /nfs/dbraw/zinc/65/84/31/502658431.db2.gz AMUPFCMBVHPVAD-JOCHJYFZSA-N 2 0 358.574 3.392 20 0 FGADRP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1ccc(OC(C)(C)C)cc1 ZINC000463027296 502665244 /nfs/dbraw/zinc/66/52/44/502665244.db2.gz GEJAIPYAKWGOEP-FUHWJXTLSA-N 2 0 361.530 3.102 20 0 FGADRP C[C@@H]1CC[N@H+](CCOc2ccc(NC(=O)C[NH+]3[C@@H](C)CC[C@@H]3C)cc2)C1 ZINC000470117914 502665999 /nfs/dbraw/zinc/66/59/99/502665999.db2.gz RBVMGDMJNOWRQZ-SQNIBIBYSA-N 2 0 359.514 3.219 20 0 FGADRP CCc1cc(NC(=O)N(CC[NH+](C)C)C[C@H]2CCC[N@H+]2CC)ccc1C ZINC000480944093 502710830 /nfs/dbraw/zinc/71/08/30/502710830.db2.gz YFRVJKPYJYONKZ-HXUWFJFHSA-N 2 0 360.546 3.437 20 0 FGADRP CC(C)[C@@H]1C[C@H]([NH2+]CCCN2CC[N@H+](C)C[C@H]2c2ccccc2)CS1 ZINC000488440113 502715168 /nfs/dbraw/zinc/71/51/68/502715168.db2.gz IXDLBXGNEUYMBR-ACRUOGEOSA-N 2 0 361.599 3.485 20 0 FGADRP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CS[C@@H](C(C)(C)C)C3)cn2)CC1 ZINC000488454136 502718344 /nfs/dbraw/zinc/71/83/44/502718344.db2.gz IFZFXCVHPBRZNV-ZWKOTPCHSA-N 2 0 362.587 3.233 20 0 FGADRP C[C@@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)[NH+]1CCCCCC1 ZINC000488478269 502727062 /nfs/dbraw/zinc/72/70/62/502727062.db2.gz BMYXMWSCGCJODI-SVFBPWRDSA-N 2 0 357.542 3.278 20 0 FGADRP C[C@H]1C[C@H](CCNC(=O)c2ccc3c(c2)C[NH2+]C3)C[N@@H+]1Cc1ccccc1 ZINC000470361885 502749536 /nfs/dbraw/zinc/74/95/36/502749536.db2.gz LZRBGXVCMDITIA-HKUYNNGSSA-N 2 0 363.505 3.320 20 0 FGADRP CC(C)C[C@H]([NH2+]C[C@H](C)c1cccc(Cl)c1)C(=O)NCC[NH+](C)C ZINC000470364300 502750217 /nfs/dbraw/zinc/75/02/17/502750217.db2.gz TWWCVQPRDNAAHP-YJBOKZPZSA-N 2 0 353.938 3.126 20 0 FGADRP CC1CCC(NC(=O)CN[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000481176160 502772753 /nfs/dbraw/zinc/77/27/53/502772753.db2.gz XIJVIRAXKQWCSV-LPWGVKJSSA-N 2 0 357.542 3.182 20 0 FGADRP CC(C)CN(C(=O)CN[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)C(C)C ZINC000481175555 502772786 /nfs/dbraw/zinc/77/27/86/502772786.db2.gz WQJVSKIHWXWLRE-CTNGQTDRSA-N 2 0 359.558 3.380 20 0 FGADRP C[C@H](C(=O)NCc1ccc(C[NH+](C)C)c(F)c1)[N@H+](C)Cc1ccccc1 ZINC000477441830 502774429 /nfs/dbraw/zinc/77/44/29/502774429.db2.gz WSIVSBCSBFAOQU-MRXNPFEDSA-N 2 0 357.473 3.024 20 0 FGADRP CC[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000481192728 502779640 /nfs/dbraw/zinc/77/96/40/502779640.db2.gz QNLRVRXAULNEIS-RTWAWAEBSA-N 2 0 357.542 3.457 20 0 FGADRP COc1ccc([C@H](CNC(=O)C[N@@H+]2CC[C@@H](C)[C@H]2C)[NH+]2CCCCC2)cc1 ZINC000484933319 502781071 /nfs/dbraw/zinc/78/10/71/502781071.db2.gz GXPXJVXNWOLTKC-OPYAIIAOSA-N 2 0 373.541 3.069 20 0 FGADRP CC[NH+](CC)CC1CCN(C(=O)NCc2ccc(CC[NH+](C)C)cc2)CC1 ZINC000467087789 502784055 /nfs/dbraw/zinc/78/40/55/502784055.db2.gz AUXRQDMDRMSECY-UHFFFAOYSA-N 2 0 374.573 3.054 20 0 FGADRP C[NH+](C)CCOc1ccc(CC[NH2+][C@@H]2CCCC[C@@H]2[C@H]2CCOC2)cc1 ZINC000474032390 502784474 /nfs/dbraw/zinc/78/44/74/502784474.db2.gz IXMQZBZVTVQMBA-KSEOMHKRSA-N 2 0 360.542 3.354 20 0 FGADRP C[NH+]1CCC(C[NH2+][C@@H]2CCCC[C@H]2[C@H]2CCOC2)(N2CCCCC2)CC1 ZINC000474049755 502790139 /nfs/dbraw/zinc/79/01/39/502790139.db2.gz CAPNSXHJTGOWMK-PCCBWWKXSA-N 2 0 363.590 3.122 20 0 FGADRP CC1CC[NH+](CC(=O)NCc2ccccc2C[NH+]2CCC(C)CC2)CC1 ZINC000474051064 502791303 /nfs/dbraw/zinc/79/13/03/502791303.db2.gz JCIDFICPLDAIGS-UHFFFAOYSA-N 2 0 357.542 3.267 20 0 FGADRP CC(C)[NH+](CCCNC(=O)N[C@H](C)C[NH+]1C[C@H](C)C[C@@H](C)C1)C(C)C ZINC000470485321 502792680 /nfs/dbraw/zinc/79/26/80/502792680.db2.gz YETVCQBGBLHFRW-GUDVDZBRSA-N 2 0 354.583 3.161 20 0 FGADRP C[C@H]1CCC[C@@](CNC(=O)N2CCC(CCC[NH+](C)C)CC2)([NH+](C)C)C1 ZINC000500717576 502846866 /nfs/dbraw/zinc/84/68/66/502846866.db2.gz VAWYQRDCUPCQSK-GHTZIAJQSA-N 2 0 366.594 3.260 20 0 FGADRP C[C@H]1C[C@@H]1[N@@H+]1CCN(C(=O)NCCCCC[NH+]2CCCCC2)C[C@@H](C)C1 ZINC000489152634 502888631 /nfs/dbraw/zinc/88/86/31/502888631.db2.gz YHJHNQIIMZXVQX-UFYCRDLUSA-N 2 0 364.578 3.014 20 0 FGADRP CCC(C)(C)c1ccc(C[NH+]2CCC(C(=O)NCC[NH+](C)C)CC2)cc1 ZINC000509388601 502889620 /nfs/dbraw/zinc/88/96/20/502889620.db2.gz PQXUSPQVRBDSNS-UHFFFAOYSA-N 2 0 359.558 3.264 20 0 FGADRP CCCN(CC[NH+]1CCCC1)C(=O)NC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000496573422 502894903 /nfs/dbraw/zinc/89/49/03/502894903.db2.gz OLHGEKFNHFCUKJ-IBGZPJMESA-N 2 0 360.546 3.024 20 0 FGADRP Cn1cc(-c2ccc(C[NH2+]Cc3ccccc3OCC[NH+](C)C)s2)cn1 ZINC000509460219 502909519 /nfs/dbraw/zinc/90/95/19/502909519.db2.gz XHIKRZSHQBPTQY-UHFFFAOYSA-N 2 0 370.522 3.379 20 0 FGADRP CC1CCC(N(C)C(=O)C[N@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000501070590 502928106 /nfs/dbraw/zinc/92/81/06/502928106.db2.gz SQQJPHAEUMVWSR-UHFFFAOYSA-N 2 0 372.557 3.267 20 0 FGADRP C[C@@H](C(=O)N1[C@H](C)CCC[C@@H]1C)[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501081599 502931271 /nfs/dbraw/zinc/93/12/71/502931271.db2.gz XVGDXRVCHUYYBO-OTWHNJEPSA-N 2 0 372.557 3.408 20 0 FGADRP C(C[NH+]1CCC[C@]2(CCCOC2)C1)C[N@@H+]1CCC[C@@]2(CCCOC2)C1 ZINC000489399847 502948182 /nfs/dbraw/zinc/94/81/82/502948182.db2.gz ZGMHMTPGPJNAOX-OYRHEFFESA-N 2 0 350.547 3.162 20 0 FGADRP CC(C)C[NH+]1CCC(NC(=O)NC[C@@H](C(C)C)[NH+]2CCC(C)CC2)CC1 ZINC000501153637 502950036 /nfs/dbraw/zinc/95/00/36/502950036.db2.gz KLSHPQCICKDAJF-FQEVSTJZSA-N 2 0 366.594 3.163 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)N[C@@H](C)C[NH+]1CCCCC1)c1ccsc1 ZINC000501165836 502951879 /nfs/dbraw/zinc/95/18/79/502951879.db2.gz WEYHTUURCLHXLW-WMZOPIPTSA-N 2 0 366.575 3.305 20 0 FGADRP Cn1c2ccc(C[NH2+]Cc3ccc(C[NH+]4CCCCC4)cc3)cc2oc1=O ZINC000509693705 502968893 /nfs/dbraw/zinc/96/88/93/502968893.db2.gz AOSLREIIXPRSLR-UHFFFAOYSA-N 2 0 365.477 3.407 20 0 FGADRP COc1ccc(Br)cc1C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000513656263 502992100 /nfs/dbraw/zinc/99/21/00/502992100.db2.gz QYWTVYRKAJPXIN-OAGGEKHMSA-N 2 0 353.304 3.420 20 0 FGADRP C[NH+]1CCC(N2CCC([NH2+][C@@H]3CCC[C@H](c4cccnc4)C3)CC2)CC1 ZINC000501379422 502996629 /nfs/dbraw/zinc/99/66/29/502996629.db2.gz XAZDLYKNLMVXLS-GHTZIAJQSA-N 2 0 356.558 3.256 20 0 FGADRP C[C@H]1C[C@@H](NC(=O)N2C[C@@H](C)[N@H+](Cc3ccccc3)C[C@@H]2C)c2nccn21 ZINC000582649144 506345838 /nfs/dbraw/zinc/34/58/38/506345838.db2.gz LZSJRSWUICRABX-MJQMVNBJSA-N 2 0 367.497 3.193 20 0 FGADRP CC(C)NC(=O)CC[NH2+][C@@H]1CCCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000513672837 502997018 /nfs/dbraw/zinc/99/70/18/502997018.db2.gz MRURYTRNUXNNCY-PCCBWWKXSA-N 2 0 357.542 3.182 20 0 FGADRP FC(F)Oc1ccccc1C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000513818033 503030152 /nfs/dbraw/zinc/03/01/52/503030152.db2.gz URECUWSBYKITEF-UHFFFAOYSA-N 2 0 354.441 3.222 20 0 FGADRP Fc1cccc(OCC[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)c1 ZINC000506040924 503034764 /nfs/dbraw/zinc/03/47/64/503034764.db2.gz GKMHTMQBZNUIOB-UHFFFAOYSA-N 2 0 350.478 3.029 20 0 FGADRP CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)Nc1ccc(C2CCC2)cc1 ZINC000489790686 503035919 /nfs/dbraw/zinc/03/59/19/503035919.db2.gz WVLDFUNHBYNTQX-UHFFFAOYSA-N 2 0 358.530 3.444 20 0 FGADRP CCC[C@@H]([NH2+]C(C)C)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000497776029 503038698 /nfs/dbraw/zinc/03/86/98/503038698.db2.gz JDJPQWLGKMCFEZ-OTYNDTSQSA-N 2 0 357.542 3.465 20 0 FGADRP CC(C)[NH+]1CCC(C(=O)N2C[C@H](C)[N@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000501595917 503046464 /nfs/dbraw/zinc/04/64/64/503046464.db2.gz PBBAHAULIQCXIJ-RBUKOAKNSA-N 2 0 357.542 3.228 20 0 FGADRP CC[NH+](CC)CCCNC(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000506143379 503056808 /nfs/dbraw/zinc/05/68/08/503056808.db2.gz HRXOHCGBVPJHKU-UHFFFAOYSA-N 2 0 352.567 3.016 20 0 FGADRP C[N@H+](CCNC(=O)NCc1ccccc1C[NH+]1CCCC1)C1CCCCC1 ZINC000514016039 503069889 /nfs/dbraw/zinc/06/98/89/503069889.db2.gz RNVJLBZFZUODPY-UHFFFAOYSA-N 2 0 372.557 3.346 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)N2CCC([NH+]3CCCCC3)CC2)C1 ZINC000501760822 503073887 /nfs/dbraw/zinc/07/38/87/503073887.db2.gz YQKQTRWMJPCKSJ-KDURUIRLSA-N 2 0 364.578 3.014 20 0 FGADRP CC[NH+](CC)CC1CCN(C(=O)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000501758713 503074234 /nfs/dbraw/zinc/07/42/34/503074234.db2.gz LAWVGZVKYATZNK-RTBURBONSA-N 2 0 366.594 3.118 20 0 FGADRP CC(C)[N@H+](C)Cc1cccc(C[NH2+]Cc2ccc3c(c2)oc(=O)n3C)c1 ZINC000510244330 503078505 /nfs/dbraw/zinc/07/85/05/503078505.db2.gz QOLZPRYGMUVKJI-UHFFFAOYSA-N 2 0 353.466 3.262 20 0 FGADRP COc1ccccc1[C@H](CN[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21)[NH+]1CCCC1 ZINC000514083819 503083551 /nfs/dbraw/zinc/08/35/51/503083551.db2.gz MUPQVRQPIXFFNY-WLRLJWMZSA-N 2 0 357.542 3.295 20 0 FGADRP CC(C)[NH+]1CCN(CCC[NH2+][C@H](CO)c2c(Cl)cccc2Cl)CC1 ZINC000501899239 503104720 /nfs/dbraw/zinc/10/47/20/503104720.db2.gz JZLQCGRRIVCDRE-QGZVFWFLSA-N 2 0 374.356 3.033 20 0 FGADRP CC(C)[NH+]1CCN(CCC[NH2+][C@@H](CO)c2c(Cl)cccc2Cl)CC1 ZINC000501899200 503105187 /nfs/dbraw/zinc/10/51/87/503105187.db2.gz JZLQCGRRIVCDRE-KRWDZBQOSA-N 2 0 374.356 3.033 20 0 FGADRP C[NH+](C)CCOc1cccc(NC(=O)NCC(C)(C)[NH+]2CCCCC2)c1 ZINC000514413479 503128548 /nfs/dbraw/zinc/12/85/48/503128548.db2.gz DJBVGHHLWLXXLY-UHFFFAOYSA-N 2 0 362.518 3.013 20 0 FGADRP CCC[NH+]1CCC(CNC(=O)N[C@H](C)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000490199839 503128978 /nfs/dbraw/zinc/12/89/78/503128978.db2.gz VTPHSPGCPMNXSF-XLIONFOSSA-N 2 0 360.546 3.099 20 0 FGADRP CCC[NH+]1CCC(CNC(=O)NC[C@@H]([NH2+][C@H](C)CC)c2ccco2)CC1 ZINC000490219160 503133623 /nfs/dbraw/zinc/13/36/23/503133623.db2.gz WBPUFZWBJHXGLZ-SJLPKXTDSA-N 2 0 364.534 3.130 20 0 FGADRP Cc1cc(NC(=O)CCC2CC[NH2+]CC2)cc(N2CC[NH+](C(C)C)CC2)c1 ZINC000514671309 503163582 /nfs/dbraw/zinc/16/35/82/503163582.db2.gz CONBGLAPBJUDDJ-UHFFFAOYSA-N 2 0 372.557 3.244 20 0 FGADRP COc1cc(C[NH+]2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)cc(Cl)c1OC ZINC000514719501 503176674 /nfs/dbraw/zinc/17/66/74/503176674.db2.gz DUOKIUWHXWZIPM-FUHWJXTLSA-N 2 0 368.905 3.076 20 0 FGADRP C[C@@H](CCc1c(F)cccc1F)[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000510716882 503177639 /nfs/dbraw/zinc/17/76/39/503177639.db2.gz GBVXFTJTIGXONS-HOTGVXAUSA-N 2 0 352.469 3.376 20 0 FGADRP Cc1cccc([C@H]([NH2+][C@H](C)CN2CC[NH+](C)CC2)c2cccc(F)c2)c1 ZINC000510747780 503184548 /nfs/dbraw/zinc/18/45/48/503184548.db2.gz HFSKHAVJVFWOPE-GCJKJVERSA-N 2 0 355.501 3.449 20 0 FGADRP COc1cc(C[NH+]2CCC(C[NH+](C)C)CC2)ccc1OCc1ccncc1 ZINC000506869183 503187150 /nfs/dbraw/zinc/18/71/50/503187150.db2.gz YHNUXUWRCVIICB-UHFFFAOYSA-N 2 0 369.509 3.443 20 0 FGADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)COC2CCC([NH3+])CC2)cc1 ZINC000514859178 503211723 /nfs/dbraw/zinc/21/17/23/503211723.db2.gz ITWBSHMTDINQNS-VQSBYGRUSA-N 2 0 359.514 3.286 20 0 FGADRP C[NH+](C)Cc1ccccc1C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000498622602 503227364 /nfs/dbraw/zinc/22/73/64/503227364.db2.gz ZGUHHEVWFXCMGU-NRFANRHFSA-N 2 0 351.494 3.315 20 0 FGADRP C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000490832770 503233415 /nfs/dbraw/zinc/23/34/15/503233415.db2.gz BKDPZWGWRYZMPN-VCOUNFBDSA-N 2 0 369.553 3.420 20 0 FGADRP CC(C)CN(C(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1)C1CC[NH+](C)CC1 ZINC000511057169 503244232 /nfs/dbraw/zinc/24/42/32/503244232.db2.gz SNUYSXZHJALUNS-NRFANRHFSA-N 2 0 371.569 3.477 20 0 FGADRP COCC[C@@H]1CCC[C@@H]1[NH2+]CCCN1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000502688362 503251901 /nfs/dbraw/zinc/25/19/01/503251901.db2.gz WCXMOHDHLPJGLV-ILWGZMRPSA-N 2 0 359.558 3.160 20 0 FGADRP COc1ccc([C@@H]2CCCCCN2C(=O)CN[C@@H]2CC[NH2+]CC2(C)C)cc1 ZINC000515048216 503259601 /nfs/dbraw/zinc/25/96/01/503259601.db2.gz BZDIQTJCFKFRCA-VQTJNVASSA-N 2 0 373.541 3.117 20 0 FGADRP CCCC[N@H+](C)CCNC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000491050925 503265794 /nfs/dbraw/zinc/26/57/94/503265794.db2.gz IFXNUBFARVYNGT-LJQANCHMSA-N 2 0 352.567 3.016 20 0 FGADRP CC(C)C[C@@H](C[NH+](C)C)NC(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000502771811 503268631 /nfs/dbraw/zinc/26/86/31/503268631.db2.gz MWFJNUJYAXPHJS-GPJFCIFZSA-N 2 0 366.594 3.305 20 0 FGADRP C[C@H](CC[NH+](C)C)NC(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCCC1 ZINC000502796842 503274620 /nfs/dbraw/zinc/27/46/20/503274620.db2.gz BDEFDEBPODPUDM-MSOLQXFVSA-N 2 0 360.546 3.289 20 0 FGADRP CCCC[N@H+](C)CCNC(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000502820737 503280409 /nfs/dbraw/zinc/28/04/09/503280409.db2.gz CFTRJVBEWQVTIC-UHFFFAOYSA-N 2 0 352.567 3.061 20 0 FGADRP C[NH+](C)[C@H](CNC(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C)c1ccccc1 ZINC000515290859 503306795 /nfs/dbraw/zinc/30/67/95/503306795.db2.gz JIDIBMACLRHOOH-WOJBJXKFSA-N 2 0 372.488 3.031 20 0 FGADRP C[C@H]1C[C@H](CCNC(=O)NCCC[NH+]2CCCC2)C[N@@H+]1Cc1ccccc1 ZINC000511437173 503321580 /nfs/dbraw/zinc/32/15/80/503321580.db2.gz IBQRUKRRIRCDOG-FPOVZHCZSA-N 2 0 372.557 3.072 20 0 FGADRP C[C@@H]([NH2+]C1(CNC(=O)NCC[N@H+](C)C2CC2)CCCC1)c1ccccc1 ZINC000503021998 503327482 /nfs/dbraw/zinc/32/74/82/503327482.db2.gz DJBSRHCANFJXKL-QGZVFWFLSA-N 2 0 358.530 3.043 20 0 FGADRP CNC(=O)c1ccc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cc1 ZINC000499149723 503344879 /nfs/dbraw/zinc/34/48/79/503344879.db2.gz HGMWOTMJDPMKMB-KOUNCHBCSA-N 2 0 363.505 3.331 20 0 FGADRP CCCC[N@H+](C)CCNC(=O)N[C@H]1CC[NH+](Cc2ccccc2)CC1(C)C ZINC000511581439 503347174 /nfs/dbraw/zinc/34/71/74/503347174.db2.gz PMCMPFGPQAQGAO-FQEVSTJZSA-N 2 0 374.573 3.318 20 0 FGADRP c1csc(-c2n[nH]cc2C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)c1 ZINC000507713097 503353645 /nfs/dbraw/zinc/35/36/45/503353645.db2.gz HUSXKWBCXVCIPC-UHFFFAOYSA-N 2 0 374.554 3.463 20 0 FGADRP Cc1ccccc1[C@H]([C@H](C)NC(=O)NC[C@@H]1CC[N@@H+](CC(C)C)C1)[NH+](C)C ZINC000499200488 503354230 /nfs/dbraw/zinc/35/42/30/503354230.db2.gz BZGIWVHVSMOXHS-ZJOUEHCJSA-N 2 0 374.573 3.263 20 0 FGADRP c1cnn(-c2cccc(C[NH+]3CCC(CCC[NH+]4CCOCC4)CC3)c2)c1 ZINC000507719607 503355471 /nfs/dbraw/zinc/35/54/71/503355471.db2.gz BMGDNSHUOOHMRU-UHFFFAOYSA-N 2 0 368.525 3.197 20 0 FGADRP CCCN(CC[NH+]1CCCC1)C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000503360213 503394476 /nfs/dbraw/zinc/39/44/76/503394476.db2.gz GZYWXKHTYRWWSW-OAQYLSRUSA-N 2 0 372.557 3.026 20 0 FGADRP CC[NH+](CC)CCOc1ccc(C(=O)N[C@H](C)C[NH+]2CCCCC2)cc1 ZINC000493863617 503450173 /nfs/dbraw/zinc/45/01/73/503450173.db2.gz HQPBFHQMAZDBEH-GOSISDBHSA-N 2 0 361.530 3.011 20 0 FGADRP CN(C(=O)CC[C@@H]1CCCC[NH+]1C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000499660082 503452034 /nfs/dbraw/zinc/45/20/34/503452034.db2.gz PBIWQPHVOKDGDJ-LEWJYISDSA-N 2 0 357.542 3.374 20 0 FGADRP CO[C@H](c1ccccc1)[C@@H](C)[NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000493883380 503452146 /nfs/dbraw/zinc/45/21/46/503452146.db2.gz OINILWMQNCDHSH-CTNGQTDRSA-N 2 0 359.558 3.303 20 0 FGADRP Fc1ccc(/C=C/C[NH2+]CCCN2CCN(c3cc[nH+]cc3)CC2)cc1F ZINC000512138128 503467176 /nfs/dbraw/zinc/46/71/76/503467176.db2.gz XMNYBAQLUCMEOF-HNQUOIGGSA-N 2 0 372.463 3.175 20 0 FGADRP COCC[N@H+](C)CCC[NH2+][C@H]1CCc2cc(Br)cc(C)c21 ZINC000493979089 503469977 /nfs/dbraw/zinc/46/99/77/503469977.db2.gz WTLVWJXUSIVRCP-INIZCTEOSA-N 2 0 355.320 3.303 20 0 FGADRP CC(C)COc1ccccc1C[N@@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000516224928 503476042 /nfs/dbraw/zinc/47/60/42/503476042.db2.gz QFECWFRFUHWKTG-NRFANRHFSA-N 2 0 359.558 3.322 20 0 FGADRP Cc1nc2ccc(C[NH2+]C3CC[NH+]([C@@H]4CCCC[C@H]4O)CC3)cc2s1 ZINC000494193285 503501370 /nfs/dbraw/zinc/50/13/70/503501370.db2.gz YAYMPMXHWYTVPN-RTBURBONSA-N 2 0 359.539 3.462 20 0 FGADRP C[C@@H]1CCN(C(=O)CC[C@@H]2CCCC[NH+]2C)CC[N@@H+]1Cc1ccccc1 ZINC000499887291 503502746 /nfs/dbraw/zinc/50/27/46/503502746.db2.gz LFIYLLMHEZDQIM-CTNGQTDRSA-N 2 0 357.542 3.374 20 0 FGADRP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@](C)(c3ccccc3)C2)CC1 ZINC000512301013 503514126 /nfs/dbraw/zinc/51/41/26/503514126.db2.gz HLJGZHIMWBKQQQ-QFIPXVFZSA-N 2 0 357.542 3.029 20 0 FGADRP COC(=O)c1cc2c(o1)c(OC)ccc2C[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000508581146 503523251 /nfs/dbraw/zinc/52/32/51/503523251.db2.gz UQORBEKPXRDACW-CQSZACIVSA-N 2 0 360.454 3.002 20 0 FGADRP Cc1cc(NC(=O)NCc2ccccc2C[N@H+]2CCC[C@H](C)C2)ccn1 ZINC000504149702 503531037 /nfs/dbraw/zinc/53/10/37/503531037.db2.gz FNEWCRCFOLLKFI-INIZCTEOSA-N 2 0 352.482 3.366 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NCC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000516562184 503537556 /nfs/dbraw/zinc/53/75/56/503537556.db2.gz DCVVQSCPJKSAEY-MVVFMWOOSA-N 2 0 368.569 3.035 20 0 FGADRP CC(C)[NH+](CCN(C)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1)C(C)C ZINC000504420581 503572148 /nfs/dbraw/zinc/57/21/48/503572148.db2.gz XIPMLRKQDRZZLW-VQTJNVASSA-N 2 0 360.546 3.192 20 0 FGADRP C[C@H](NC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1)[C@@H](c1ccccc1)[NH+](C)C ZINC000508867942 503582084 /nfs/dbraw/zinc/58/20/84/503582084.db2.gz UNRFSJZYFNXBCV-JBACZVJFSA-N 2 0 372.557 3.338 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)CC[C@H]3CCC[NH2+]3)cc2)C1 ZINC000494683440 503591540 /nfs/dbraw/zinc/59/15/40/503591540.db2.gz AIBOSXVFQKNNGG-LVCYWYKZSA-N 2 0 357.542 3.313 20 0 FGADRP CC[N@H+](Cc1ccc(C(=O)N2CCc3ccccc3[C@H]2C[NH3+])cc1)C1CC1 ZINC000516973005 503635760 /nfs/dbraw/zinc/63/57/60/503635760.db2.gz NONGDSUYFBVMRV-JOCHJYFZSA-N 2 0 363.505 3.369 20 0 FGADRP COCCC[NH+]1CCC([NH2+][C@H](C[C@@H]2CCOC2)c2ccc(F)cc2)CC1 ZINC000495056427 503653845 /nfs/dbraw/zinc/65/38/45/503653845.db2.gz CTROWQGOTXODQY-LAUBAEHRSA-N 2 0 364.505 3.384 20 0 FGADRP COc1ccc([C@@H](CNC(=O)C[NH2+][C@H]2CCC2(C)C)[NH+]2CCCCC2)cc1 ZINC000517172512 503662623 /nfs/dbraw/zinc/66/26/23/503662623.db2.gz XQJIBSYGBTXLBO-UXHICEINSA-N 2 0 373.541 3.117 20 0 FGADRP C[N@H+](Cc1ccco1)Cc1ccccc1C[NH2+][C@H]1CCC(=O)NC1(C)C ZINC000495082503 503662906 /nfs/dbraw/zinc/66/29/06/503662906.db2.gz WDEJCYQPHIDLPE-IBGZPJMESA-N 2 0 355.482 3.058 20 0 FGADRP COc1cc(CN2CC[C@@H]3CC[N@H+](C)C[C@@H]32)ccc1OCC(F)(F)F ZINC000495147148 503681186 /nfs/dbraw/zinc/68/11/86/503681186.db2.gz IEKOPEMAQBRVJR-GJZGRUSLSA-N 2 0 358.404 3.162 20 0 FGADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](CCCCOc2ccccc2)CC1 ZINC000527108034 503681602 /nfs/dbraw/zinc/68/16/02/503681602.db2.gz XZLTUXYDSQNDHH-OYRHEFFESA-N 2 0 359.558 3.336 20 0 FGADRP CC(C)C[N@@H+]1CCCC[C@@H]1CN[C@@H]1CC[NH+](Cc2ccccn2)C[C@H]1C ZINC000540146748 503688571 /nfs/dbraw/zinc/68/85/71/503688571.db2.gz KZFURICYIWOBRP-CEMLEFRQSA-N 2 0 358.574 3.392 20 0 FGADRP COc1ccc(Oc2ccc(C[NH2+]CC3(O)CC[NH+](C)CC3)cc2)cc1 ZINC000543234944 503690436 /nfs/dbraw/zinc/69/04/36/503690436.db2.gz VKVLFIOFXJCUIT-UHFFFAOYSA-N 2 0 356.466 3.034 20 0 FGADRP C[C@@H]1C[C@H]([NH2+]Cc2ccnc(-n3cccn3)c2)CCN1Cc1ccccc1 ZINC000517255814 503695059 /nfs/dbraw/zinc/69/50/59/503695059.db2.gz XQRITVHZCBNRHW-WIYYLYMNSA-N 2 0 361.493 3.410 20 0 FGADRP COCC[C@H]([NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1ccc(F)cc1 ZINC000540169605 503695871 /nfs/dbraw/zinc/69/58/71/503695871.db2.gz FLBIOZKHQSXDDX-HLIPFELVSA-N 2 0 352.494 3.382 20 0 FGADRP CC[N@H+](CCC1CCN(C(=O)C[NH+](C)[C@@H]2CCSC2)CC1)CC(C)C ZINC000540235284 503718838 /nfs/dbraw/zinc/71/88/38/503718838.db2.gz NOAADMBEWQJRAF-LJQANCHMSA-N 2 0 369.619 3.030 20 0 FGADRP C[C@H]1Cc2ccc(F)cc2[C@H]1[NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000536856962 503742244 /nfs/dbraw/zinc/74/22/44/503742244.db2.gz IDOXBZXSPAWIJS-BTYIYWSLSA-N 2 0 369.484 3.140 20 0 FGADRP C[C@@H]([NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(-n2cccn2)cc1 ZINC000536865558 503742703 /nfs/dbraw/zinc/74/27/03/503742703.db2.gz YPRFCVRCBVBDBJ-CEXWTWQISA-N 2 0 356.514 3.412 20 0 FGADRP Cc1cc([C@@H]([NH2+]CCN2CCC([NH+](C)C)CC2)c2cccnc2)ccc1F ZINC000543401373 503755463 /nfs/dbraw/zinc/75/54/63/503755463.db2.gz UCJJFXJCQPCGFB-JOCHJYFZSA-N 2 0 370.516 3.234 20 0 FGADRP Cc1cc([C@@H]([NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)c2cccnc2)ccc1F ZINC000543404668 503756539 /nfs/dbraw/zinc/75/65/39/503756539.db2.gz PYYUUAJWSZDWNA-IFMALSPDSA-N 2 0 371.500 3.445 20 0 FGADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)NCC2([NH+](C)C)CCCCC2)C1 ZINC000517541702 503766872 /nfs/dbraw/zinc/76/68/72/503766872.db2.gz QOOUNNPAJXJRMB-UYAOXDASSA-N 2 0 372.557 3.386 20 0 FGADRP CC[C@@H]([NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1)c1cccc(F)c1 ZINC000527351233 503773450 /nfs/dbraw/zinc/77/34/50/503773450.db2.gz MKHQGTYCTOMWGP-HXUWFJFHSA-N 2 0 371.504 3.259 20 0 FGADRP CC[NH+](CC)C[C@@H](C)NC(=O)NC[C@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000517576319 503776377 /nfs/dbraw/zinc/77/63/77/503776377.db2.gz KEMUOGYGVJGOGV-IEBWSBKVSA-N 2 0 352.567 3.061 20 0 FGADRP CCn1cc(C[NH2+]CCc2ccc(OCC[N@@H+]3C[C@H](C)[C@H](C)C3)cc2)cn1 ZINC000537024347 503779657 /nfs/dbraw/zinc/77/96/57/503779657.db2.gz IGKSZXIQLJPMKO-KDURUIRLSA-N 2 0 370.541 3.202 20 0 FGADRP CCn1ccnc1C[NH2+]CCc1ccc(OCC[NH+]2C[C@H](C)[C@@H](C)C2)cc1 ZINC000537021665 503780099 /nfs/dbraw/zinc/78/00/99/503780099.db2.gz HOVFPWGFHNBTMB-OALUTQOASA-N 2 0 370.541 3.202 20 0 FGADRP C[NH+](C)Cc1c2ccccc2oc1C(=O)NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC000530028361 503801486 /nfs/dbraw/zinc/80/14/86/503801486.db2.gz KUFVYXITIGIBJZ-MRXNPFEDSA-N 2 0 355.482 3.241 20 0 FGADRP C[C@@H](C(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000517693356 503809122 /nfs/dbraw/zinc/80/91/22/503809122.db2.gz PNNRHVCIOIFCHN-AVRDEDQJSA-N 2 0 369.553 3.025 20 0 FGADRP Cc1ccccc1[C@@H]([C@H](C)NC(=O)CCN(C)c1cc[nH+]cc1)[NH+](C)C ZINC000527492138 503809426 /nfs/dbraw/zinc/80/94/26/503809426.db2.gz JXVYZCYXNFHMBP-LAUBAEHRSA-N 2 0 354.498 3.024 20 0 FGADRP CC(C)c1nc2c([nH]1)C[C@H](C(=O)N1CCC(C[N@@H+](C)C(C)C)CC1)CC2 ZINC000527528361 503826160 /nfs/dbraw/zinc/82/61/60/503826160.db2.gz DBHBUGCZRUJSNE-QGZVFWFLSA-N 2 0 360.546 3.217 20 0 FGADRP C[NH+](C)CCNC(=O)c1ccc(C[NH2+]C/C=C/c2ccc(F)cc2F)cc1 ZINC000543633567 503835821 /nfs/dbraw/zinc/83/58/21/503835821.db2.gz NTRORBVPDPIVGT-ONEGZZNKSA-N 2 0 373.447 3.059 20 0 FGADRP CC[NH+](CC)Cc1ccc(CNC(=O)NC[C@H](C(C)C)[NH+]2CCCC2)cc1 ZINC000517882952 503858063 /nfs/dbraw/zinc/85/80/63/503858063.db2.gz DNUVHOVPSHEXHP-OAQYLSRUSA-N 2 0 374.573 3.448 20 0 FGADRP COc1cc(OC)c(C2CC[NH+]([C@@H](C)[C@@H]3CCC[NH2+]C3)CC2)c(OC)c1 ZINC000530207843 503876302 /nfs/dbraw/zinc/87/63/02/503876302.db2.gz DTRHPNWMOFLJBH-DOTOQJQBSA-N 2 0 362.514 3.280 20 0 FGADRP CSc1ccc([C@H](C)[NH2+][C@@H](CC(C)C)C(=O)NCC[NH+](C)C)cc1 ZINC000537443796 503916559 /nfs/dbraw/zinc/91/65/59/503916559.db2.gz FSAMHSSEVRVDSF-YJBOKZPZSA-N 2 0 351.560 3.152 20 0 FGADRP CC[NH+](CC)CCCC1CCN(C(=O)NC[C@@H](C)C[NH+]2CCCC2)CC1 ZINC000543908375 503938654 /nfs/dbraw/zinc/93/86/54/503938654.db2.gz NPPJTCBRVLILPJ-LJQANCHMSA-N 2 0 366.594 3.262 20 0 FGADRP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1Nc1cccc(OCC[NH+](C)C)c1 ZINC000537534146 503945667 /nfs/dbraw/zinc/94/56/67/503945667.db2.gz APIIUZWEFHUHKS-AVRDEDQJSA-N 2 0 368.525 3.345 20 0 FGADRP C[NH+]1CCN(c2ncccc2C[NH2+][C@H]2CCc3cc(F)c(Cl)cc32)CC1 ZINC000527851755 503972271 /nfs/dbraw/zinc/97/22/71/503972271.db2.gz MDQASTAQXLCZBW-IBGZPJMESA-N 2 0 374.891 3.403 20 0 FGADRP CCC[NH+]1CCN(c2ccccc2C[N@@H+]2CC[C@H](C3CCOCC3)C2)CC1 ZINC000537650143 503992316 /nfs/dbraw/zinc/99/23/16/503992316.db2.gz HPZPLDRHECNVQR-NRFANRHFSA-N 2 0 371.569 3.467 20 0 FGADRP Cc1cccc([C@H]([NH2+]CC2(N3CCOCC3)CC[NH+](C)CC2)C(C)C)c1 ZINC000527909156 503994165 /nfs/dbraw/zinc/99/41/65/503994165.db2.gz PKNGSQQSLBCWQQ-OAQYLSRUSA-N 2 0 359.558 3.078 20 0 FGADRP CC[NH+](CC)CCCC1CC[NH+](CCc2nnnn2-c2ccccc2)CC1 ZINC000541091409 504004041 /nfs/dbraw/zinc/00/40/41/504004041.db2.gz XIBGJENQCYCHJA-UHFFFAOYSA-N 2 0 370.545 3.039 20 0 FGADRP Cc1ccc([C@H](CNC(=O)NCC[NH+]2[C@@H](C)CCC[C@@H]2C)[NH+](C)C)cc1 ZINC000518594342 504023796 /nfs/dbraw/zinc/02/37/96/504023796.db2.gz YQGPWHUJPVVLLC-BJLQDIEVSA-N 2 0 360.546 3.160 20 0 FGADRP COc1ccccc1CC[NH2+]Cc1c(Cl)cccc1N1CC[NH+](C)CC1 ZINC000537749558 504026114 /nfs/dbraw/zinc/02/61/14/504026114.db2.gz YCVZTXXTZPCRBY-UHFFFAOYSA-N 2 0 373.928 3.433 20 0 FGADRP O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)[C@@H]1CCCN1Cc1ccc(Cl)cc1 ZINC000527986030 504027150 /nfs/dbraw/zinc/02/71/50/504027150.db2.gz OXHUAKDYIGNTKF-QYZOEREBSA-N 2 0 361.917 3.047 20 0 FGADRP CC[NH+](CC)CCOc1ccc(C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCC3)cc1 ZINC000534064578 504030604 /nfs/dbraw/zinc/03/06/04/504030604.db2.gz VTELDHLDMUPESM-PWRODBHTSA-N 2 0 358.526 3.454 20 0 FGADRP Cc1ccc([C@H](CCn2cncn2)[NH2+]C[C@@H]2CCN2C2CCCC2)cc1 ZINC000528001766 504033781 /nfs/dbraw/zinc/03/37/81/504033781.db2.gz NAOULOGZYXKAAD-SFTDATJTSA-N 2 0 353.514 3.324 20 0 FGADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H](O)COc2ccc3ccccc3c2)C[C@H]1C ZINC000530662920 504043612 /nfs/dbraw/zinc/04/36/12/504043612.db2.gz RAYZYMXYJMXKDJ-QMMLZNLJSA-N 2 0 356.510 3.384 20 0 FGADRP CC[N@H+](CCC1CC[NH+](CC(=O)NCc2cccs2)CC1)CC1CC1 ZINC000537845735 504062064 /nfs/dbraw/zinc/06/20/64/504062064.db2.gz FHULKYFBYDOWPP-UHFFFAOYSA-N 2 0 363.571 3.198 20 0 FGADRP CC(C)[NH+](CCC[NH2+][C@H](C)CCN1C(=O)c2ccccc2C1=O)C(C)C ZINC000547368250 504078708 /nfs/dbraw/zinc/07/87/08/504078708.db2.gz SIILRKGHCWTRAV-QGZVFWFLSA-N 2 0 359.514 3.160 20 0 FGADRP CC(C)[NH+](CCC[NH2+][C@@H](C)CCN1C(=O)c2ccccc2C1=O)C(C)C ZINC000547368249 504078751 /nfs/dbraw/zinc/07/87/51/504078751.db2.gz SIILRKGHCWTRAV-KRWDZBQOSA-N 2 0 359.514 3.160 20 0 FGADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)[C@@H](c2ccccc2)N2CCOCC2)C1 ZINC000537946347 504091441 /nfs/dbraw/zinc/09/14/41/504091441.db2.gz AREGZVCIQAKBGP-XJUOHMSHSA-N 2 0 373.585 3.406 20 0 FGADRP Cc1cc([C@H]([NH2+]C[C@@H](C)CN2CC[NH+](C)CC2)c2cccnc2)ccc1F ZINC000544357347 504101000 /nfs/dbraw/zinc/10/10/00/504101000.db2.gz KQSPFNHFSSCFPT-VGSWGCGISA-N 2 0 370.516 3.092 20 0 FGADRP C[C@H](C[NH+]1CC[C@@H](C(C)(C)C)[C@H](O)C1)C[N@@H+]1CC[C@H](C(C)(C)C)[C@H](O)C1 ZINC000544439491 504134790 /nfs/dbraw/zinc/13/47/90/504134790.db2.gz ZJQADBUISRYAGV-OUUBHVDSSA-N 2 0 368.606 3.080 20 0 FGADRP C[C@H](C1CC1)N(Cc1ccccc1)C(=O)C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000519156762 504152986 /nfs/dbraw/zinc/15/29/86/504152986.db2.gz LHHRGNKXGKYEDW-COPCDDAFSA-N 2 0 369.553 3.135 20 0 FGADRP CC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCCN2Cc2ccc(Cl)cc2)C1 ZINC000528307783 504161314 /nfs/dbraw/zinc/16/13/14/504161314.db2.gz PAQNYAOYSFJIAZ-PKOBYXMFSA-N 2 0 363.933 3.153 20 0 FGADRP Cc1nn(-c2cc[nH+]cc2)cc1CN(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000541533742 504166180 /nfs/dbraw/zinc/16/61/80/504166180.db2.gz AZNRNZDSQYYQDS-JOCHJYFZSA-N 2 0 361.493 3.282 20 0 FGADRP CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H](C)[NH+]2CCC(Cc3ccccc3)CC2)C1 ZINC000544555685 504173007 /nfs/dbraw/zinc/17/30/07/504173007.db2.gz JQWZYZFIDOAEHR-DENIHFKCSA-N 2 0 371.569 3.178 20 0 FGADRP CCC(C)(C)[NH2+][C@H](C)C(=O)NC1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC000541560934 504175672 /nfs/dbraw/zinc/17/56/72/504175672.db2.gz WNLXZYONASWCOH-KZNAEPCWSA-N 2 0 359.558 3.426 20 0 FGADRP CC[C@H]([NH2+]CC1CC[NH+](Cc2ccc(OC)cc2)CC1)c1ccn(C)n1 ZINC000544575574 504179342 /nfs/dbraw/zinc/17/93/42/504179342.db2.gz MTJVYTJFNZAKJQ-FQEVSTJZSA-N 2 0 356.514 3.382 20 0 FGADRP C[C@H]1CCC[N@H+](CCN[C@@H]2CC3(CC[NH+](C)CC3)Oc3ccccc32)C1 ZINC000538276003 504184668 /nfs/dbraw/zinc/18/46/68/504184668.db2.gz MFCQKGFZCATSIY-AZUAARDMSA-N 2 0 357.542 3.296 20 0 FGADRP Cc1cn2cc(NC(=O)NCC[N@@H+](C)Cc3ccc(F)cc3)ccc2n1 ZINC000531137772 504200828 /nfs/dbraw/zinc/20/08/28/504200828.db2.gz IQWNHCIKBHLZHZ-UHFFFAOYSA-N 2 0 355.417 3.035 20 0 FGADRP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@@H+](C)[C@@H](C)C3(C)CC3)CC2)cc1 ZINC000538348924 504217108 /nfs/dbraw/zinc/21/71/08/504217108.db2.gz HYHCAWRQQSTKIA-IBGZPJMESA-N 2 0 357.542 3.150 20 0 FGADRP CC(C)C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)NC[C@H]1CCC[NH+](C)C1 ZINC000528485518 504244085 /nfs/dbraw/zinc/24/40/85/504244085.db2.gz LCEHGFZGWDSIPE-YPAWHYETSA-N 2 0 371.569 3.239 20 0 FGADRP C[C@H]([NH2+][C@H](CO)Cc1ccc(F)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000519568267 504255892 /nfs/dbraw/zinc/25/58/92/504255892.db2.gz QMCHHHZWRMPVEG-WEYGHZABSA-N 2 0 356.485 3.229 20 0 FGADRP C[C@H](c1cccc2ccccc21)[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000519654309 504290435 /nfs/dbraw/zinc/29/04/35/504290435.db2.gz REWFKCXRMZLGSU-MJGOQNOKSA-N 2 0 351.494 3.045 20 0 FGADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000519669643 504296418 /nfs/dbraw/zinc/29/64/18/504296418.db2.gz UYPGWLJKJGWUQN-XMSQKQJNSA-N 2 0 361.493 3.328 20 0 FGADRP CCOc1cc(C[NH+]2CCC(OCC[NH+](C)C)CC2)ccc1OC(F)F ZINC000538732396 504349013 /nfs/dbraw/zinc/34/90/13/504349013.db2.gz KDFDWXDAHOLZBV-UHFFFAOYSA-N 2 0 372.456 3.229 20 0 FGADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCc1cnn(C)c1C(F)(F)F ZINC000548160184 504353069 /nfs/dbraw/zinc/35/30/69/504353069.db2.gz JXAZUTAINOLDPS-WMLDXEAASA-N 2 0 366.431 3.439 20 0 FGADRP CC1CC[NH+](CC(=O)NCc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)CC1 ZINC000531624136 504368461 /nfs/dbraw/zinc/36/84/61/504368461.db2.gz ZSDBIDGRPYXJST-LJQANCHMSA-N 2 0 357.542 3.409 20 0 FGADRP COC(=O)c1cc2c(o1)c(OC)ccc2C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000538796615 504374143 /nfs/dbraw/zinc/37/41/43/504374143.db2.gz MSBOVRMYLIWPMF-RDJZCZTQSA-N 2 0 372.465 3.144 20 0 FGADRP COc1ccc(C)cc1C1(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)CCOCC1 ZINC000531695336 504395048 /nfs/dbraw/zinc/39/50/48/504395048.db2.gz VKBAABLKMLLAGT-QWFCFKBJSA-N 2 0 360.542 3.370 20 0 FGADRP CC[N@H+](CCC1CC[NH+](CC(=O)NCc2cccc(C)c2)CC1)CC1CC1 ZINC000538950603 504426798 /nfs/dbraw/zinc/42/67/98/504426798.db2.gz QCLGWHSZEZVXJK-UHFFFAOYSA-N 2 0 371.569 3.445 20 0 FGADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@H](C)c1sccc1Br ZINC000545311234 504439942 /nfs/dbraw/zinc/43/99/42/504439942.db2.gz KSAXHIXLQAFOBR-CHWSQXEVSA-N 2 0 360.365 3.187 20 0 FGADRP COc1ccc(C[NH+](C)C)cc1NC(=O)NC[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000528904051 504443344 /nfs/dbraw/zinc/44/33/44/504443344.db2.gz HGCUEEYLTMTGAO-SFHVURJKSA-N 2 0 374.529 3.285 20 0 FGADRP CN1C(=O)C[C@H](NCC[C@H]2CCCC[N@@H+]2C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000520312376 504463169 /nfs/dbraw/zinc/46/31/69/504463169.db2.gz JRDRIDSPSYXSFK-DKSSEZFCSA-N 2 0 367.896 3.215 20 0 FGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H](C)c2sccc2Br)CC1 ZINC000531959497 504487875 /nfs/dbraw/zinc/48/78/75/504487875.db2.gz KDPRWGASKHELBX-KGLIPLIRSA-N 2 0 374.392 3.435 20 0 FGADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H](c2cccnc2)c2ccc(F)c(C)c2)CC1 ZINC000542480088 504507868 /nfs/dbraw/zinc/50/78/68/504507868.db2.gz WPYRILMIMMFJLQ-PGRDOPGGSA-N 2 0 370.516 3.234 20 0 FGADRP O=C(NCc1ccccc1C[NH+]1CCCC1)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000520703631 504560365 /nfs/dbraw/zinc/56/03/65/504560365.db2.gz LYTHHCUAXJVSID-FQEVSTJZSA-N 2 0 370.541 3.099 20 0 FGADRP CC[NH+]1CCN(c2ccc(C[NH2+][C@H](C)c3ccc(C)cc3OC)cn2)CC1 ZINC000532192426 504568453 /nfs/dbraw/zinc/56/84/53/504568453.db2.gz VVJWFOFXCKTFLI-GOSISDBHSA-N 2 0 368.525 3.391 20 0 FGADRP CC[C@@H]([NH2+]Cc1ccccc1CN1CC[NH+](CC)CC1)C1CCOCC1 ZINC000532193031 504568870 /nfs/dbraw/zinc/56/88/70/504568870.db2.gz HWYYHWBBLHREHE-JOCHJYFZSA-N 2 0 359.558 3.119 20 0 FGADRP C[NH+]1CCC([C@H]2CCN(C(=O)c3ccc(Nc4cc[nH+]cc4)cc3)C2)CC1 ZINC000535899463 504576666 /nfs/dbraw/zinc/57/66/66/504576666.db2.gz CJOCPYCHFGEBRF-IBGZPJMESA-N 2 0 364.493 3.051 20 0 FGADRP C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+][C@H]1CN(C2CC2)C[C@@H]1C ZINC000532246785 504584888 /nfs/dbraw/zinc/58/48/88/504584888.db2.gz DGPWGGJMOQMVEX-KHYOSLBOSA-N 2 0 363.933 3.149 20 0 FGADRP CCCCO[C@@H]1C[C@H]([NH2+]Cc2ccc(N3CC[NH+](CC)CC3)nc2)C1(C)C ZINC000539498485 504591893 /nfs/dbraw/zinc/59/18/93/504591893.db2.gz JDFTXVFPDOCRBZ-VQTJNVASSA-N 2 0 374.573 3.297 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000529284151 504619096 /nfs/dbraw/zinc/61/90/96/504619096.db2.gz CROSVSITDKYWBH-YLJYHZDGSA-N 2 0 370.541 3.145 20 0 FGADRP C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N[C@@H]2CC[NH2+]C23CCC3)C1 ZINC000529290693 504621697 /nfs/dbraw/zinc/62/16/97/504621697.db2.gz VHXZWLIWWGVHLN-YLJYHZDGSA-N 2 0 370.541 3.002 20 0 FGADRP CCO[C@@H]1C[C@@H]([NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H]2CO)C12CCCC2 ZINC000542849804 504633356 /nfs/dbraw/zinc/63/33/56/504633356.db2.gz SFHCEMNKNSZSEF-BHDDXSALSA-N 2 0 372.553 3.471 20 0 FGADRP CC(C)CC[C@](C)(O)C[NH2+]Cc1c(Cl)cccc1N1CC[NH+](C)CC1 ZINC000536130021 504641906 /nfs/dbraw/zinc/64/19/06/504641906.db2.gz HPYXBRGRSSWEDE-FQEVSTJZSA-N 2 0 367.965 3.369 20 0 FGADRP C[NH+](C)C1CCN(c2ccc(NC3CC[NH+](C(C)(C)C)CC3)nc2)CC1 ZINC000539688888 504653874 /nfs/dbraw/zinc/65/38/74/504653874.db2.gz HZTSFALJQUBRJG-UHFFFAOYSA-N 2 0 359.562 3.287 20 0 FGADRP CCC[NH+]1CCN(c2ccccc2C[NH2+]CCCc2ccccn2)CC1 ZINC000532501480 504673184 /nfs/dbraw/zinc/67/31/84/504673184.db2.gz HYVMCQGMQWWNPC-UHFFFAOYSA-N 2 0 352.526 3.336 20 0 FGADRP C[C@H]([NH2+]Cc1cnn(CC(F)(F)F)c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000532538704 504687249 /nfs/dbraw/zinc/68/72/49/504687249.db2.gz AARJLJBQMSWPMN-AWEZNQCLSA-N 2 0 370.419 3.237 20 0 FGADRP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(OCc3nccn3C)cc2)C[C@@H]1C ZINC000532589530 504703556 /nfs/dbraw/zinc/70/35/56/504703556.db2.gz LFVMGXRBVVYADB-HKUYNNGSSA-N 2 0 356.514 3.304 20 0 FGADRP C[C@H]1C[N@H+](Cc2cccc(-c3ccncc3)c2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000539822804 504704290 /nfs/dbraw/zinc/70/42/90/504704290.db2.gz MWQYSVMZBDQOFT-CVDCTZTESA-N 2 0 364.537 3.206 20 0 FGADRP CC[NH+](CC)C[C@H](C)NC(=O)[C@@H](C)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000521380928 504724229 /nfs/dbraw/zinc/72/42/29/504724229.db2.gz MQJOFHITWCKCCV-RBUKOAKNSA-N 2 0 359.558 3.176 20 0 FGADRP Cc1ccc(-c2nc(C[NH+]3CCC([C@H]4C[C@@H]([NH3+])CCO4)CC3)co2)cc1 ZINC000521406463 504727663 /nfs/dbraw/zinc/72/76/63/504727663.db2.gz FRURQDGTNXJITL-AZUAARDMSA-N 2 0 355.482 3.368 20 0 FGADRP COc1ccc([C@@H](C[NH+]2CCCC2)NC(=O)[C@@H](C)[NH+]2CCCCCC2)cc1 ZINC000539932588 504741828 /nfs/dbraw/zinc/74/18/28/504741828.db2.gz SVADYIDNWZTRTA-WIYYLYMNSA-N 2 0 373.541 3.213 20 0 FGADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H]1CCc2cccc(Br)c2C1 ZINC000521470433 504742897 /nfs/dbraw/zinc/74/28/97/504742897.db2.gz QRUVCJVBZLRTAJ-CVEARBPZSA-N 2 0 369.347 3.253 20 0 FGADRP C[C@@H]1[C@@H](NC(=O)CC[NH+](C)C2CCCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000559091514 504779791 /nfs/dbraw/zinc/77/97/91/504779791.db2.gz QBHSZUVVDXENNS-NQIIRXRSSA-N 2 0 357.542 3.420 20 0 FGADRP O=C1C[C@H](C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)CN1C1CC1 ZINC000565095185 504792704 /nfs/dbraw/zinc/79/27/04/504792704.db2.gz QYVIBUFUCUIVFK-ZHHKINOHSA-N 2 0 367.537 3.030 20 0 FGADRP CCc1oc(C[NH2+]CCCC[NH+]2C[C@H](C)C[C@@H](C)C2)cc1C(=O)OC ZINC000549403720 504812177 /nfs/dbraw/zinc/81/21/77/504812177.db2.gz NLBPNSDHNZKXJR-HZPDHXFCSA-N 2 0 350.503 3.476 20 0 FGADRP C[NH+](C)CCc1ccc(C(=O)NC2CC[NH+](CC3CCCC3)CC2)cc1 ZINC000565179622 504818980 /nfs/dbraw/zinc/81/89/80/504818980.db2.gz XMCGTVYMUCUZGF-UHFFFAOYSA-N 2 0 357.542 3.175 20 0 FGADRP C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)[C@@H](n2cncn2)C1 ZINC000556243332 504827000 /nfs/dbraw/zinc/82/70/00/504827000.db2.gz BOZMGUBCYKWUEV-HZEGPAAWSA-N 2 0 353.514 3.120 20 0 FGADRP CCc1nc2cc(CNC(=O)[C@H]3CCCC[N@H+]3CC)ccc2n1C1CC1 ZINC000549534322 504843566 /nfs/dbraw/zinc/84/35/66/504843566.db2.gz IDCZLZRVXVKJGB-LJQANCHMSA-N 2 0 354.498 3.424 20 0 FGADRP C[C@@H](NC(=O)[C@@H](C)[NH+]1CCC(CC[NH3+])CC1)c1ccc2c(c1)CCCC2 ZINC000565428895 504885195 /nfs/dbraw/zinc/88/51/95/504885195.db2.gz XYCRUHLTFGBZBS-IAGOWNOFSA-N 2 0 357.542 3.192 20 0 FGADRP C[C@H]1CCCC[N@@H+]1CCC(=O)N1CCC[NH+](Cc2ccccc2)C[C@H]1C ZINC000549766123 504892164 /nfs/dbraw/zinc/89/21/64/504892164.db2.gz GOVUXKHSQJQBEO-VQTJNVASSA-N 2 0 357.542 3.374 20 0 FGADRP Nc1nccc([C@@H]2CCC[N@H+](Cc3cccc(C[NH+]4CCCCC4)c3)C2)n1 ZINC000562702841 504913818 /nfs/dbraw/zinc/91/38/18/504913818.db2.gz SLPXKZQOPZKNNE-HXUWFJFHSA-N 2 0 365.525 3.255 20 0 FGADRP CC[N@H+](Cc1ccc(C(=O)N2C[C@H]([NH+]3CCCC3)C[C@@H]2C)cc1)C1CC1 ZINC000553434940 504914299 /nfs/dbraw/zinc/91/42/99/504914299.db2.gz XQMNEBYVDZEOLY-LAUBAEHRSA-N 2 0 355.526 3.370 20 0 FGADRP C[NH+]1CCC(CC[NH2+]C[C@H](O)Cn2c3ccccc3c3ccccc32)CC1 ZINC000565536215 504915800 /nfs/dbraw/zinc/91/58/00/504915800.db2.gz YGRIIZHFDSDWHZ-IBGZPJMESA-N 2 0 365.521 3.477 20 0 FGADRP CC[C@H]([NH2+]CCCC[NH+]1C[C@H](C)O[C@@H](C)C1)c1ccc(C(=O)OC)cc1 ZINC000559742872 504920972 /nfs/dbraw/zinc/92/09/72/504920972.db2.gz GUAYBSZGBSJCPM-ZWOKBUDYSA-N 2 0 362.514 3.403 20 0 FGADRP C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000553510654 504935866 /nfs/dbraw/zinc/93/58/66/504935866.db2.gz GOEZDKJTDYYLDT-YFVAEKQCSA-N 2 0 373.516 3.123 20 0 FGADRP C[C@H](NC(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1)[C@H]1CCC[NH2+]C1 ZINC000562795988 504948353 /nfs/dbraw/zinc/94/83/53/504948353.db2.gz FYXVMAMXQBPSMW-RXVVDRJESA-N 2 0 372.557 3.250 20 0 FGADRP CC1(CNC(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)CC[NH2+]CC1 ZINC000562797043 504949102 /nfs/dbraw/zinc/94/91/02/504949102.db2.gz QCVHMFIETUPDBB-UHFFFAOYSA-N 2 0 372.557 3.252 20 0 FGADRP CCCN(C(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C)C1CC[NH2+]CC1 ZINC000562804879 504952381 /nfs/dbraw/zinc/95/23/81/504952381.db2.gz BBQSXANICAQXCK-SFHVURJKSA-N 2 0 366.937 3.116 20 0 FGADRP Cc1cc(CN(CC[NH+](C)C)CC[NH+](C)C)ccc1Oc1cccnc1 ZINC000562904065 504981703 /nfs/dbraw/zinc/98/17/03/504981703.db2.gz HZMBEEGCSICBCV-UHFFFAOYSA-N 2 0 356.514 3.108 20 0 FGADRP CCC(CC)(CNC(=O)N1CCC[C@@H](C[NH3+])C1)[NH2+][C@@H](C)c1ccccc1 ZINC000565765992 504981926 /nfs/dbraw/zinc/98/19/26/504981926.db2.gz XYIVVGVDKXFQTR-ROUUACIJSA-N 2 0 360.546 3.276 20 0 FGADRP C[NH+](C)[C@H](CNC(=O)NC1CCC([NH+](C)C)CC1)c1ccc(Cl)cc1 ZINC000562932491 504992403 /nfs/dbraw/zinc/99/24/03/504992403.db2.gz OTAWCVLMJJWRLZ-DAWZGUTISA-N 2 0 366.937 3.115 20 0 FGADRP CC(C)[C@H](CNC(=O)c1ccc2c[nH+]cn2c1)[N@@H+]1CCc2ccccc2C1 ZINC000550214159 504993895 /nfs/dbraw/zinc/99/38/95/504993895.db2.gz LLJUTPJXBVWTLU-NRFANRHFSA-N 2 0 362.477 3.147 20 0 FGADRP C[NH+]1CCN(CCC[NH2+]Cc2ccc(Oc3ccc(F)cc3)cc2)CC1 ZINC000560113916 504995860 /nfs/dbraw/zinc/99/58/60/504995860.db2.gz PYKHNYQFMAYHBJ-UHFFFAOYSA-N 2 0 357.473 3.345 20 0 FGADRP Cc1cc(C)n(-c2ccc(CC[NH2+][C@@H]3CC[N@@H+](C)[C@@H]4CCC[C@H]43)cc2)n1 ZINC000556858614 504997089 /nfs/dbraw/zinc/99/70/89/504997089.db2.gz NVNFLMGDZKTQHL-BHDDXSALSA-N 2 0 352.526 3.494 20 0 FGADRP Clc1ccc([C@H]2OCC[C@@H]2[NH2+]Cc2cc(C3CC[NH2+]CC3)no2)cc1 ZINC000562970141 505004094 /nfs/dbraw/zinc/00/40/94/505004094.db2.gz WHQRAMBHUDEPAG-PKOBYXMFSA-N 2 0 361.873 3.415 20 0 FGADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+][C@H]2CC(=O)N(C(C)(C)C)C2)CC1 ZINC000556887624 505006578 /nfs/dbraw/zinc/00/65/78/505006578.db2.gz ZVLMDFUXYGPCEE-GPJFCIFZSA-N 2 0 357.542 3.419 20 0 FGADRP CC(C)C[N@@H+]1CC[C@H](C[NH2+]C[C@H](O)COc2ccc3ccccc3c2)C1 ZINC000562989909 505012179 /nfs/dbraw/zinc/01/21/79/505012179.db2.gz BMVXWGPTWQJCGV-NQIIRXRSSA-N 2 0 356.510 3.147 20 0 FGADRP CC1(C)C[NH2+]CC[C@H]1NC(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000565939832 505032738 /nfs/dbraw/zinc/03/27/38/505032738.db2.gz ICDKETUQBBJYNW-LJQANCHMSA-N 2 0 374.529 3.061 20 0 FGADRP CCC[NH+]1CCN(c2ccccc2C[N@@H+]2CCC[C@@H]2[C@@H]2CCCO2)CC1 ZINC000560265084 505033351 /nfs/dbraw/zinc/03/33/51/505033351.db2.gz DGCKGDCGJUNROJ-YADHBBJMSA-N 2 0 357.542 3.362 20 0 FGADRP C[C@H](NC(=O)CC[N@@H+]1CCc2ccccc2C1)[C@@H](c1ccccc1)[NH+](C)C ZINC000557072657 505058915 /nfs/dbraw/zinc/05/89/15/505058915.db2.gz WVKFCHPMWUEPKP-MBSDFSHPSA-N 2 0 365.521 3.242 20 0 FGADRP C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)NC[C@]3(C)CCC[NH2+]C3)cc2)C1 ZINC000557115948 505069030 /nfs/dbraw/zinc/06/90/30/505069030.db2.gz FDNJOJJXTPVAGD-XMSQKQJNSA-N 2 0 372.557 3.107 20 0 FGADRP Cc1ccc(C)c(OC[C@H](O)C[NH2+]Cc2ccc(C[NH+](C)C)cc2)c1C ZINC000560392954 505070160 /nfs/dbraw/zinc/07/01/60/505070160.db2.gz IIFVWDYKKISVRZ-OAQYLSRUSA-N 2 0 356.510 3.203 20 0 FGADRP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)COc2ccc(Oc3ccccc3)cc2)CC[N@@H+]1C ZINC000566063609 505070311 /nfs/dbraw/zinc/07/03/11/505070311.db2.gz DUPKJRPKNOKMBW-GUDVDZBRSA-N 2 0 370.493 3.291 20 0 FGADRP C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)C[C@H]([NH3+])Cc2ccccc2)CC1 ZINC000563207188 505076169 /nfs/dbraw/zinc/07/61/69/505076169.db2.gz WBQXWTRAIBMTCE-SIKLNZKXSA-N 2 0 371.569 3.450 20 0 FGADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCc2nc(-c3ccc(F)cc3F)cn2C1 ZINC000566088765 505076299 /nfs/dbraw/zinc/07/62/99/505076299.db2.gz KZFVDFMHBXJLNR-JCKWVBRZSA-N 2 0 360.452 3.250 20 0 FGADRP C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)C[C@@H]([NH3+])Cc2ccccc2)CC1 ZINC000563207190 505076415 /nfs/dbraw/zinc/07/64/15/505076415.db2.gz WBQXWTRAIBMTCE-UGKGYDQZSA-N 2 0 371.569 3.450 20 0 FGADRP Cc1ccc2cc([C@@H](C)[NH2+][C@@H]3CCC(=O)N[C@H]3C3CC[NH2+]CC3)oc2c1 ZINC000566092470 505078421 /nfs/dbraw/zinc/07/84/21/505078421.db2.gz UCKSLWSVIJTJOU-ZVGUJKQYSA-N 2 0 355.482 3.039 20 0 FGADRP C[C@@H](C[NH2+]CCC(=O)Nc1cccc(Br)c1)C[NH+]1CCCC1 ZINC000566106648 505083471 /nfs/dbraw/zinc/08/34/71/505083471.db2.gz WEHJHZGSBMAQGM-AWEZNQCLSA-N 2 0 368.319 3.099 20 0 FGADRP C[N@@H+]1CC[C@H](NCC2([NH+]3CCCCC3)CCOCC2)C[C@@H]1c1ccccc1 ZINC000550700346 505085947 /nfs/dbraw/zinc/08/59/47/505085947.db2.gz GASOQRJJKYWSGV-FCHUYYIVSA-N 2 0 371.569 3.447 20 0 FGADRP CC[NH+](CC)CCOCC[NH2+][C@@H]1CCc2sc(Br)cc21 ZINC000550789632 505101302 /nfs/dbraw/zinc/10/13/02/505101302.db2.gz RFFPHCRVERUSQS-CYBMUJFWSA-N 2 0 361.349 3.446 20 0 FGADRP CCc1ccc([C@H](CNC(=O)N[C@H]2C[C@@H](C)n3ccnc32)[NH+](C)C)cc1 ZINC000560492802 505103137 /nfs/dbraw/zinc/10/31/37/505103137.db2.gz UEZXURKSBRTIPR-JLSDUUJJSA-N 2 0 355.486 3.053 20 0 FGADRP COCC[N@H+](C)CC[C@H](N[C@@H]1CC[NH+](C)[C@H]2CCC[C@H]21)c1ccccc1 ZINC000560528246 505115502 /nfs/dbraw/zinc/11/55/02/505115502.db2.gz OGWGOBDBGJONRX-KJJMTIBFSA-N 2 0 359.558 3.158 20 0 FGADRP COC(=O)c1csc([C@H](C)[NH2+]CCCC[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC000560528123 505115749 /nfs/dbraw/zinc/11/57/49/505115749.db2.gz NRZBCZVGVPLNMT-KKUMJFAQSA-N 2 0 354.516 3.075 20 0 FGADRP C[N@@H+]1CCC[C@]2(CCN(Cc3cc(Br)cc4c3OCC4)C2)C1 ZINC000560595125 505137197 /nfs/dbraw/zinc/13/71/97/505137197.db2.gz PDNFZWMMTOXOHB-SFHVURJKSA-N 2 0 365.315 3.302 20 0 FGADRP Cc1cccn2cc(COc3ccc(C[NH+]4CC5(C4)CCOC5)cc3)nc12 ZINC000560638404 505150789 /nfs/dbraw/zinc/15/07/89/505150789.db2.gz KDFMZOKTMDZSFJ-UHFFFAOYSA-N 2 0 363.461 3.444 20 0 FGADRP CC[NH+](CC)CCCCNC(=O)[C@@H]1C[N@@H+](C(C)(C)C)C[C@H]1C(F)(F)F ZINC000551098997 505157596 /nfs/dbraw/zinc/15/75/96/505157596.db2.gz ZCUMSZJMSZYPKU-HUUCEWRRSA-N 2 0 365.484 3.133 20 0 FGADRP CC[C@H](C[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1n1cncn1)N1CCc2ccccc2C1 ZINC000551267747 505189836 /nfs/dbraw/zinc/18/98/36/505189836.db2.gz VNMAOCFDNVUVSR-CIQXWFTPSA-N 2 0 367.541 3.434 20 0 FGADRP O[C@H](C[NH2+]C1CC[NH+](CC2CC2)CC1)COc1cc(Cl)ccc1Cl ZINC000563618085 505193640 /nfs/dbraw/zinc/19/36/40/505193640.db2.gz YNMQBPNLVBSNKV-MRXNPFEDSA-N 2 0 373.324 3.197 20 0 FGADRP CSC1(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)CC[NH+](C)CC1 ZINC000566532047 505197190 /nfs/dbraw/zinc/19/71/90/505197190.db2.gz KDBIPYOHBAMJNW-UHFFFAOYSA-N 3 0 361.599 3.111 20 0 FGADRP C[NH+](C)CCCC1CC[NH+](C[C@@H]2CN(Cc3ccccc3)CCCO2)CC1 ZINC000551391237 505216376 /nfs/dbraw/zinc/21/63/76/505216376.db2.gz ACEMERSLVRLMPX-HSZRJFAPSA-N 2 0 373.585 3.331 20 0 FGADRP C[C@@H]1CC[N@H+](CC(=O)NCc2ccc(C[NH+]3C[C@H](C)C[C@H](C)C3)cc2)C1 ZINC000554597632 505217138 /nfs/dbraw/zinc/21/71/38/505217138.db2.gz OCPVNYADEVEGSK-QRVBRYPASA-N 2 0 357.542 3.123 20 0 FGADRP C[C@H](NC(=O)N1CCC[N@@H+](C(C)(C)C)CC1)[C@H](c1ccccc1)[NH+](C)C ZINC000554609467 505221262 /nfs/dbraw/zinc/22/12/62/505221262.db2.gz AAWHRYUEAHFLNT-PKOBYXMFSA-N 2 0 360.546 3.194 20 0 FGADRP C[N@H+](CCCNC(=O)[C@@H]1CC[NH+](Cc2ccccc2)C1)Cc1ccccc1 ZINC000561082140 505246027 /nfs/dbraw/zinc/24/60/27/505246027.db2.gz JGESVIVCBZLCCS-JOCHJYFZSA-N 2 0 365.521 3.147 20 0 FGADRP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+]Cc1c(F)cccc1OC(F)(F)F ZINC000551536426 505246550 /nfs/dbraw/zinc/24/65/50/505246550.db2.gz NKZKQJVZPOXHLU-ZDUSSCGKSA-N 2 0 364.383 3.051 20 0 FGADRP CC1(C)CCC[C@H]([NH2+]CCCC[NH+]2CCN(c3ncccn3)CC2)CC1 ZINC000563821428 505249154 /nfs/dbraw/zinc/24/91/54/505249154.db2.gz IVHCSDRBLSLSFJ-IBGZPJMESA-N 2 0 359.562 3.327 20 0 FGADRP COCC[N@H+](C)CCCC1CC[NH+](Cc2cnc(C(C)(C)C)nc2)CC1 ZINC000551804382 505311863 /nfs/dbraw/zinc/31/18/63/505311863.db2.gz WEWNXYTUONRWBD-UHFFFAOYSA-N 2 0 362.562 3.345 20 0 FGADRP COc1ccc([C@H](C[NH+](C)C)N[C@H]2CC[N@H+](CCc3ccccc3)C2)cc1 ZINC000551806644 505314174 /nfs/dbraw/zinc/31/41/74/505314174.db2.gz UWIKGVQIAUQORM-GMAHTHKFSA-N 2 0 367.537 3.205 20 0 FGADRP CC[C@H]([NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1)C1(C(=O)OC)CCC1 ZINC000551818550 505318151 /nfs/dbraw/zinc/31/81/51/505318151.db2.gz WEHDPUSUXOIYNY-FQEVSTJZSA-N 2 0 374.525 3.371 20 0 FGADRP Cc1ccccc1[C@@H]([NH3+])C(=O)Nc1cccc(N2CC[NH+](C(C)C)CC2)c1 ZINC000564081255 505320667 /nfs/dbraw/zinc/32/06/67/505320667.db2.gz NHHSNBTYIFJCEM-OAQYLSRUSA-N 2 0 366.509 3.164 20 0 FGADRP CCC[NH+]1CCC(NC(=O)N[C@H](C[NH+](C)C)c2ccc(Cl)cc2)CC1 ZINC000555120624 505355288 /nfs/dbraw/zinc/35/52/88/505355288.db2.gz YBMCITSLDXKPRG-GOSISDBHSA-N 2 0 366.937 3.116 20 0 FGADRP C[C@H]1[C@H](NC(=O)NCCC[NH+]2CCCC[C@H]2C)CC[N@@H+]1Cc1ccccc1 ZINC000558380420 505371723 /nfs/dbraw/zinc/37/17/23/505371723.db2.gz QELISQYWVSDDEB-SVFBPWRDSA-N 2 0 372.557 3.213 20 0 FGADRP CC[C@@H]1C[C@H](C[NH+]2CCN([C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)CCO1 ZINC000567147731 505377078 /nfs/dbraw/zinc/37/70/78/505377078.db2.gz YPMGXXYPLAVZOH-XPWALMASSA-N 2 0 371.569 3.084 20 0 FGADRP C[N@H+](CCCN1CC[NH+](C)CC1)Cc1cc(Cl)cc(C(F)(F)F)c1 ZINC000558421805 505384847 /nfs/dbraw/zinc/38/48/47/505384847.db2.gz BQGHLGVHPFNHES-UHFFFAOYSA-N 2 0 363.855 3.428 20 0 FGADRP CC(C)[NH2+]C1(CO)CCN(CCOc2cc(Cl)cc(Cl)c2)CC1 ZINC000567177027 505386923 /nfs/dbraw/zinc/38/69/23/505386923.db2.gz XMVVSJBPXBPMQO-UHFFFAOYSA-N 2 0 361.313 3.197 20 0 FGADRP C[C@@H](CCc1ccc(Cl)s1)[NH2+]CC(=O)NCC[NH+]1CCCCCC1 ZINC000552064765 505387953 /nfs/dbraw/zinc/38/79/53/505387953.db2.gz NDSLLNGRYUUINN-HNNXBMFYSA-N 2 0 371.978 3.304 20 0 FGADRP CCCC[N@H+](C)C[C@@H](C)NC(=O)c1ccc(C[NH+]2CCSCC2)cc1 ZINC000558581668 505430215 /nfs/dbraw/zinc/43/02/15/505430215.db2.gz OHJREPCJZYBDCX-QGZVFWFLSA-N 2 0 363.571 3.086 20 0 FGADRP CC1CC[NH+](C[C@@H](O)C[NH2+]C2CCC([N@H+](C)Cc3ccccc3)CC2)CC1 ZINC000552249555 505440707 /nfs/dbraw/zinc/44/07/07/505440707.db2.gz CUPHALHMGJHWDR-VNXZQDSDSA-N 3 0 373.585 3.112 20 0 FGADRP O=C(N1CCCC1)N1CCC[C@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)C1 ZINC000552325560 505461035 /nfs/dbraw/zinc/46/10/35/505461035.db2.gz XANFIEFPFRPQQV-IBGZPJMESA-N 2 0 362.562 3.053 20 0 FGADRP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000564658525 505485056 /nfs/dbraw/zinc/48/50/56/505485056.db2.gz JXAVKHOGUGWQMP-RXVVDRJESA-N 2 0 357.542 3.230 20 0 FGADRP CC1(C)C[N@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)[C@@H]2CCC[C@@H]21 ZINC000555712737 505497215 /nfs/dbraw/zinc/49/72/15/505497215.db2.gz WTFWFRHWIZGBRV-LEWJYISDSA-N 2 0 369.553 3.409 20 0 FGADRP FC(F)(F)[C@H]1C[C@H]([NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)CCO1 ZINC000562042089 505499612 /nfs/dbraw/zinc/49/96/12/505499612.db2.gz QLVMBZPMUVWGRO-SJLPKXTDSA-N 2 0 372.431 3.361 20 0 FGADRP CC[NH+](CC)CCCNC(=O)C1CC[NH+](Cc2sccc2Cl)CC1 ZINC000558831612 505505611 /nfs/dbraw/zinc/50/56/11/505505611.db2.gz MOPBGIBVWWCIHM-UHFFFAOYSA-N 2 0 371.978 3.462 20 0 FGADRP c1cn(-c2ccccc2C[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cn1 ZINC000567646098 505523471 /nfs/dbraw/zinc/52/34/71/505523471.db2.gz TYFJCHPXAYFDTQ-SIKLNZKXSA-N 2 0 360.461 3.218 20 0 FGADRP Cc1ccccc1[C@H]([C@H](C)NC(=O)NC[C@H]1CC[N@@H+](C(C)C)C1)[NH+](C)C ZINC000562138648 505526406 /nfs/dbraw/zinc/52/64/06/505526406.db2.gz FFWMZPJBPZWXKP-NSHGMRRFSA-N 2 0 360.546 3.016 20 0 FGADRP C[NH+](C)[C@@H]1CCC[C@H](Nc2cncc(N[C@@H]3CCC[C@H]([NH+](C)C)C3)n2)C1 ZINC000555925180 505539784 /nfs/dbraw/zinc/53/97/84/505539784.db2.gz IYNBEHNBSSSRCO-FZDBZEDMSA-N 2 0 360.550 3.046 20 0 FGADRP C[NH+]1CCN(c2ccc(C(F)(F)F)cc2C[NH2+]Cc2ccncc2)CC1 ZINC000608060622 506402529 /nfs/dbraw/zinc/40/25/29/506402529.db2.gz RTLZZWTUTMUCCU-UHFFFAOYSA-N 2 0 364.415 3.142 20 0 FGADRP C[C@H](NC(=O)NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1)[C@@H]1CCC[NH2+]C1 ZINC000582774534 506413335 /nfs/dbraw/zinc/41/33/35/506413335.db2.gz OZVCTWYBVUYQJA-LVCYWYKZSA-N 2 0 372.557 3.106 20 0 FGADRP CC[NH+](CC)CC1CCN(C(=O)NCCC[N@H+](C)Cc2ccccc2)CC1 ZINC000612193088 506476970 /nfs/dbraw/zinc/47/69/70/506476970.db2.gz RAFROJMANHIRRH-UHFFFAOYSA-N 2 0 374.573 3.272 20 0 FGADRP CCOC(=O)C1([C@H](C)[NH2+]Cc2ccc(Cl)c(Cl)c2)CC[NH2+]CC1 ZINC000596650303 506510376 /nfs/dbraw/zinc/51/03/76/506510376.db2.gz HADUOMLPYJEMNY-LBPRGKRZSA-N 2 0 359.297 3.404 20 0 FGADRP C[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1Cc1ccccc1)[NH+](C)Cc1ccccc1 ZINC000599630953 506539809 /nfs/dbraw/zinc/53/98/09/506539809.db2.gz LEUZGKVCZBGPEB-SIKLNZKXSA-N 2 0 365.521 3.288 20 0 FGADRP COc1c(Br)cccc1C[NH2+]CC1(SC)CC[NH+](C)CC1 ZINC000583054886 506563379 /nfs/dbraw/zinc/56/33/79/506563379.db2.gz ZVZIAKFLQYKIGH-UHFFFAOYSA-N 2 0 373.360 3.375 20 0 FGADRP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NC[C@H]1CCC[NH+]1Cc1ccccc1 ZINC000604107052 506715651 /nfs/dbraw/zinc/71/56/51/506715651.db2.gz YQHKZYVYPMVJTC-SFHLNBCPSA-N 2 0 372.557 3.071 20 0 FGADRP CN1CCC([N@@H+]2CC[C@H](NC(=O)N[C@@H](c3ccccc3)C(C)(C)C)C2)CC1 ZINC000604173522 506736481 /nfs/dbraw/zinc/73/64/81/506736481.db2.gz MRNJHBNXTRIFSS-ICSRJNTNSA-N 2 0 372.557 3.242 20 0 FGADRP CC[NH+]1CCC(CNC(=O)N[C@@H](C[NH+]2CCCCC2)c2ccccc2)CC1 ZINC000604187943 506742090 /nfs/dbraw/zinc/74/20/90/506742090.db2.gz NDAFPMQGAJASNL-NRFANRHFSA-N 2 0 372.557 3.245 20 0 FGADRP C[C@@H](NC(=O)C[NH+]1CCC(C[NH+](C)C)CC1)c1ccc2c(c1)CCCC2 ZINC000590125932 506744283 /nfs/dbraw/zinc/74/42/83/506744283.db2.gz WNWNFLXPEDNYBP-QGZVFWFLSA-N 2 0 357.542 3.016 20 0 FGADRP CC[NH+](CC)CCNC(=O)NCc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000590344375 506800376 /nfs/dbraw/zinc/80/03/76/506800376.db2.gz GMJACUGGRATWCT-UHFFFAOYSA-N 2 0 360.546 3.060 20 0 FGADRP Cc1cccn2cc(CNC(=O)[C@H]3CCC[N@H+](Cc4ccccc4)C3)nc12 ZINC000600230143 506861322 /nfs/dbraw/zinc/86/13/22/506861322.db2.gz XQSIOQQKWYCMDA-IBGZPJMESA-N 2 0 362.477 3.171 20 0 FGADRP CCC[N@H+](CC)C[C@H](C)NC(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C[C@@H]1C ZINC000583597298 506868293 /nfs/dbraw/zinc/86/82/93/506868293.db2.gz CZAZMNLXPKUFPG-IRFCIJBXSA-N 2 0 374.573 3.317 20 0 FGADRP C[C@@H]([NH2+]Cc1nnc(C2CC[NH2+]CC2)[nH]1)[C@@H](C)c1nc2ccccc2s1 ZINC000583625870 506884176 /nfs/dbraw/zinc/88/41/76/506884176.db2.gz QHZLCAJAYMFNDT-CHWSQXEVSA-N 2 0 370.526 3.163 20 0 FGADRP COC(=O)C1(C[NH2+]C2CC[NH+]([C@H](C)Cc3ccccc3)CC2)CCCC1 ZINC000590649122 506894585 /nfs/dbraw/zinc/89/45/85/506894585.db2.gz WILIWGQDFYSFCK-GOSISDBHSA-N 2 0 358.526 3.405 20 0 FGADRP Cc1ccc2[nH]c3c(c2c1)CCC[C@@H]3[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000583657186 506898518 /nfs/dbraw/zinc/89/85/18/506898518.db2.gz CMJKPKNSCZOAJS-FQEVSTJZSA-N 2 0 354.542 3.469 20 0 FGADRP C[NH+](C)CC[C@@H](NC(=O)N1CC[NH+](CCC(C)(C)C)CC1)C(C)(C)C ZINC000604827040 506959051 /nfs/dbraw/zinc/95/90/51/506959051.db2.gz KGCBZORIQVPMLA-QGZVFWFLSA-N 2 0 354.583 3.116 20 0 FGADRP COc1cc(C[NH2+][C@@H](CN2CC[NH+](C)CC2)c2ccccc2)ccc1C ZINC000583792479 506976049 /nfs/dbraw/zinc/97/60/49/506976049.db2.gz LWEYJYHXZRBCAN-NRFANRHFSA-N 2 0 353.510 3.082 20 0 FGADRP CC[N@H+](Cc1ccc(C(=O)N2C[C@@H]3CCCC[NH+]3C[C@H]2C)cc1)C1CC1 ZINC000604967545 507008527 /nfs/dbraw/zinc/00/85/27/507008527.db2.gz DGAHAPCJBCGDDO-UTKZUKDTSA-N 2 0 355.526 3.370 20 0 FGADRP C[NH+](C)CCCOc1ccc(NC(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)cc1 ZINC000594262178 507049268 /nfs/dbraw/zinc/04/92/68/507049268.db2.gz MQULUNKKPCWDBH-LJQANCHMSA-N 2 0 374.529 3.109 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)NCC[N@H+]1[C@H](C)CCC[C@@H]1C)c1ccco1 ZINC000594296376 507069367 /nfs/dbraw/zinc/06/93/67/507069367.db2.gz RVMFUDQOEKFBNZ-KSZLIROESA-N 2 0 364.534 3.225 20 0 FGADRP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H](c1ccc(OC)cc1)[NH+]1CCCCC1 ZINC000591095057 507111781 /nfs/dbraw/zinc/11/17/81/507111781.db2.gz UPIWBJZPLVPWJN-SFTDATJTSA-N 2 0 373.541 3.213 20 0 FGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H](C(C)C)[NH+]1CCc2ccccc2C1 ZINC000591128386 507125307 /nfs/dbraw/zinc/12/53/07/507125307.db2.gz ZTQRDCKARWVNSM-RTWAWAEBSA-N 2 0 357.542 3.060 20 0 FGADRP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H](C(C)C)[NH+]1CCc2ccccc2C1 ZINC000591128387 507125766 /nfs/dbraw/zinc/12/57/66/507125766.db2.gz ZTQRDCKARWVNSM-SFTDATJTSA-N 2 0 357.542 3.060 20 0 FGADRP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000605404505 507180388 /nfs/dbraw/zinc/18/03/88/507180388.db2.gz MHSZARCCBZKAER-IAGOWNOFSA-N 2 0 352.482 3.097 20 0 FGADRP C[N@H+](CCNC(=O)NC[C@H]1CCCC[NH+]1Cc1ccccc1)C1CCCC1 ZINC000591410582 507239132 /nfs/dbraw/zinc/23/91/32/507239132.db2.gz RUBIAADLJWUKFZ-OAQYLSRUSA-N 2 0 372.557 3.215 20 0 FGADRP C[C@@H](CNC(=O)NCc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1)[NH+](C)C1CC1 ZINC000591555149 507289476 /nfs/dbraw/zinc/28/94/76/507289476.db2.gz RXKOEZVGSRQKLQ-ROUUACIJSA-N 2 0 372.557 3.200 20 0 FGADRP CC(C)[NH2+][C@@H]1CCCN(C(=O)NCC2([NH+]3CCCCC3)CCCCC2)C1 ZINC000601210807 507296860 /nfs/dbraw/zinc/29/68/60/507296860.db2.gz KAQJOANSEWWXDB-LJQANCHMSA-N 2 0 364.578 3.347 20 0 FGADRP CCCc1ccc(C[NH2+]CCCC[NH+]2CCN(c3ncccn3)CC2)cc1 ZINC000591697742 507334363 /nfs/dbraw/zinc/33/43/63/507334363.db2.gz HYKXIDLJYDCIOL-UHFFFAOYSA-N 2 0 367.541 3.121 20 0 FGADRP C[NH+](C)CCCC[NH2+][C@H]1CCc2ccc(I)cc21 ZINC000595016129 507355365 /nfs/dbraw/zinc/35/53/65/507355365.db2.gz QPPBTOGAIIIMSQ-HNNXBMFYSA-N 2 0 358.267 3.210 20 0 FGADRP [NH3+]C[C@@H](NC(=O)N1CCC([C@H]2CCC[NH2+]2)CC1)c1ccc2ccccc2c1 ZINC000584459718 507358298 /nfs/dbraw/zinc/35/82/98/507358298.db2.gz MOKYVLJGHFGANO-NHCUHLMSSA-N 2 0 366.509 3.013 20 0 FGADRP CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)[C@@H]1CCCC[C@@]1(C)[NH3+] ZINC000584617431 507432838 /nfs/dbraw/zinc/43/28/38/507432838.db2.gz UCTSRYYMIGWNSM-PZJWPPBQSA-N 2 0 358.530 3.054 20 0 FGADRP CC[NH+](CC)Cc1ccc(CNC(=O)N2CC[N@H+](C)C[C@@H]2C(C)C)cc1 ZINC000606627603 507458341 /nfs/dbraw/zinc/45/83/41/507458341.db2.gz SCKYDKOKOXOPCH-HXUWFJFHSA-N 2 0 360.546 3.010 20 0 FGADRP Cc1oc(-c2cccs2)nc1C[NH+]1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000584771681 507495876 /nfs/dbraw/zinc/49/58/76/507495876.db2.gz XPTFKEFZMSUUMN-DOTOQJQBSA-N 2 0 361.511 3.430 20 0 FGADRP C/C(=C/c1ccccc1OC(F)F)C[NH2+]C[C@H](C)CN1CC[NH+](C)CC1 ZINC000584809095 507516954 /nfs/dbraw/zinc/51/69/54/507516954.db2.gz CLCJKXARAHNHRA-WBILKINKSA-N 2 0 367.484 3.164 20 0 FGADRP C[C@@H](C(=O)NC[C@H]1CCC[NH+](Cc2ccccc2)C1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000586756133 507660431 /nfs/dbraw/zinc/66/04/31/507660431.db2.gz CADLQFNUWSLPFT-YOUFYPILSA-N 2 0 357.542 3.276 20 0 FGADRP CC(C)[C@@H](CNC(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1)[NH+]1CCC(C)CC1 ZINC000592490841 507678531 /nfs/dbraw/zinc/67/85/31/507678531.db2.gz PBEWEQQNXBGNKD-UYAOXDASSA-N 2 0 364.578 3.059 20 0 FGADRP CC[C@@H]1CN(C(=O)NCc2ccccc2C[N@@H+]2CCC[C@@H](C)C2)CC[C@@H]1[NH3+] ZINC000669125147 568086063 /nfs/dbraw/zinc/08/60/63/568086063.db2.gz OSIGYYJIDVMQRW-OPYAIIAOSA-N 2 0 372.557 3.187 20 0 FGADRP C[NH+](C)Cc1cccc(NC(=O)N2CC[C@H](c3ccc(F)cc3)[C@@H]([NH3+])C2)c1 ZINC000623071310 568239717 /nfs/dbraw/zinc/23/97/17/568239717.db2.gz FHOYVGLLLJSXNF-UXHICEINSA-N 2 0 370.472 3.236 20 0 FGADRP c1ccc([C@H]2C[N@H+](Cc3cccc(CN4CCOCC4)c3)CCCO2)cc1 ZINC000643250205 568316037 /nfs/dbraw/zinc/31/60/37/568316037.db2.gz HPHBVYKQSSKVDD-HSZRJFAPSA-N 2 0 366.505 3.482 20 0 FGADRP CC[NH+]1CCC([NH2+]Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)CC1 ZINC000825451139 608526300 /nfs/dbraw/zinc/52/63/00/608526300.db2.gz GJGARYUIABYQRD-UHFFFAOYSA-N 2 0 362.481 3.108 20 0 FGADRP C[C@@H]([NH2+]CCCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824875213 609328310 /nfs/dbraw/zinc/32/83/10/609328310.db2.gz JRXLYMKLUDXVGM-BZUAXINKSA-N 2 0 374.508 3.415 20 0 FGADRP COc1cc(C[NH2+][C@@H](C)C2CC[NH+](C)CC2)cc(Br)c1OC ZINC000089541652 700391760 /nfs/dbraw/zinc/39/17/60/700391760.db2.gz HPLCEZPAICKSLG-LBPRGKRZSA-N 2 0 371.319 3.286 20 0 FGADRP C[C@H](C[NH2+][C@@H]1CCc2cc(Cl)cc(Cl)c21)CN1CC[NH+](C)CC1 ZINC000134378868 704822090 /nfs/dbraw/zinc/82/20/90/704822090.db2.gz LTKLGRURRCMPPG-CXAGYDPISA-N 2 0 356.341 3.454 20 0 FGADRP CC[C@@H]([NH2+]CCC[N@H+](C)CCOC)c1cc(Br)ccc1O ZINC000155113980 705063546 /nfs/dbraw/zinc/06/35/46/705063546.db2.gz HGOKHNNBKDSQHO-OAHLLOKOSA-N 2 0 359.308 3.164 20 0 FGADRP COc1ccc(Cl)cc1N1CC[C@@H]([NH2+][C@H](C)C2CC[NH+](C)CC2)C1 ZINC000157984171 705169267 /nfs/dbraw/zinc/16/92/67/705169267.db2.gz ALOPHUVCTIHGFU-RHSMWYFYSA-N 2 0 351.922 3.247 20 0 FGADRP CC(C)(C)OC(=O)N1CC[C@@H](C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)C1 ZINC000173879981 705474842 /nfs/dbraw/zinc/47/48/42/705474842.db2.gz PSIPWNTZXKJQTR-MSOLQXFVSA-N 2 0 351.535 3.051 20 0 FGADRP C[NH+]1CCC(CC[NH2+][C@H]2CCCC[C@H]2CNC(=O)OC(C)(C)C)CC1 ZINC000180455315 705740942 /nfs/dbraw/zinc/74/09/42/705740942.db2.gz XKGYQINFNWHKSH-ROUUACIJSA-N 2 0 353.551 3.391 20 0 FGADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H](C)c1cc(Br)ccc1O ZINC000185670569 712699631 /nfs/dbraw/zinc/69/96/31/712699631.db2.gz SLHGPDBAXQOJNO-OCCSQVGLSA-N 2 0 359.308 3.162 20 0 FGADRP CC(C)C[NH+]1CCC([NH2+]C[C@]2(C)CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000195188320 713548527 /nfs/dbraw/zinc/54/85/27/713548527.db2.gz JOGNGPFMUAFZFD-FQEVSTJZSA-N 2 0 353.551 3.344 20 0 FGADRP CCC[NH+]1CCC(C[NH2+]C[C@]2(C)CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000195201135 713549156 /nfs/dbraw/zinc/54/91/56/713549156.db2.gz WTIZOBKLCJTMMK-FQEVSTJZSA-N 2 0 353.551 3.345 20 0 FGADRP C[C@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000246025559 713615694 /nfs/dbraw/zinc/61/56/94/713615694.db2.gz VKWQSULGWNEMGD-JZXOWHBKSA-N 2 0 351.535 3.238 20 0 FGADRP C[NH+](C)CCC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000305146165 713792571 /nfs/dbraw/zinc/79/25/71/713792571.db2.gz FPOBDRZTJYTXLW-RCCFBDPRSA-N 2 0 353.551 3.486 20 0 FGADRP CC(C)[C@H](CNC(=O)OC(C)(C)C)C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000305892731 713794175 /nfs/dbraw/zinc/79/41/75/713794175.db2.gz LJBAZHTVJXLLAH-OOKSDGMUSA-N 2 0 353.551 3.388 20 0 FGADRP COCC[C@@H]1CCC[C@H]1[NH2+]CC1(N2CC[NH+](C)CC2)CCCCCC1 ZINC000374287729 713910841 /nfs/dbraw/zinc/91/08/41/713910841.db2.gz MPSWHOLQYWYCJU-VQTJNVASSA-N 2 0 351.579 3.122 20 0 FGADRP CO[C@H](C[N@@H+]1CCN(C2CC[NH+](C)CC2)[C@H](C)C1)c1ccc(Cl)cc1 ZINC000374917225 713953694 /nfs/dbraw/zinc/95/36/94/713953694.db2.gz RDDOSCTYGRCZFJ-OXQOHEQNSA-N 2 0 365.949 3.128 20 0 FGADRP CO[C@@H](C[N@@H+]1CCN(C2CC[NH+](C)CC2)[C@H](C)C1)c1ccc(Cl)cc1 ZINC000374917226 713953718 /nfs/dbraw/zinc/95/37/18/713953718.db2.gz RDDOSCTYGRCZFJ-UZLBHIALSA-N 2 0 365.949 3.128 20 0 FGADRP C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000414926570 714005941 /nfs/dbraw/zinc/00/59/41/714005941.db2.gz NNQLHWUAIQETRH-KYOSRNDESA-N 2 0 354.292 3.026 20 0 FGADRP C[C@H](O)[C@H]1C[C@H](C)CC[NH+]1CCCCC[N@H+]1CC[C@H](C)C[C@@H]1[C@H](C)O ZINC000443322458 714031597 /nfs/dbraw/zinc/03/15/97/714031597.db2.gz UDXNKFINGNUEOR-NXMWLWCLSA-N 2 0 354.579 3.119 20 0 FGADRP C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1)C1CCC(C(F)(F)F)CC1 ZINC000474729682 714083838 /nfs/dbraw/zinc/08/38/38/714083838.db2.gz PHHIXAZNOAORCZ-RDHHWEPZSA-N 2 0 350.469 3.426 20 0 FGADRP C(C[NH+]1CCC[C@H]1[C@@H]1CCCOC1)C[N@@H+]1CCC[C@H]1[C@@H]1CCCOC1 ZINC000521868707 714153057 /nfs/dbraw/zinc/15/30/57/714153057.db2.gz KYUSMDOLOIZUML-CGXNFDGLSA-N 2 0 350.547 3.159 20 0 FGADRP CC[C@@H](C)[N@H+](C)CCNC(=O)Nc1nc(CN2CCC[C@H](C)C2)cs1 ZINC000522132827 714171632 /nfs/dbraw/zinc/17/16/32/714171632.db2.gz SRXWCFKYXMGQQZ-LSDHHAIUSA-N 2 0 367.563 3.227 20 0 FGADRP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCC[NH+](C)C2CCCCC2)C1 ZINC000522430528 714188169 /nfs/dbraw/zinc/18/81/69/714188169.db2.gz BXUCSWWKNQNUKL-KRWDZBQOSA-N 2 0 352.567 3.061 20 0 FGADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N1CCC(C[NH+](CC)CC)CC1 ZINC000523005305 714216304 /nfs/dbraw/zinc/21/63/04/714216304.db2.gz PJEUUHARGYLOCP-LJQANCHMSA-N 2 0 352.567 3.014 20 0 FGADRP CC[NH+](CC)CC1CCN(C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)CC1 ZINC000523929176 714259216 /nfs/dbraw/zinc/25/92/16/714259216.db2.gz MCAPCSGOIHBEST-SFHVURJKSA-N 2 0 354.583 3.116 20 0 FGADRP C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000577629619 714466376 /nfs/dbraw/zinc/46/63/76/714466376.db2.gz FLMIYAYOPNQZMJ-JLYLLQBASA-N 2 0 363.933 3.151 20 0 FGADRP O=C(CC[C@@H]1CCC[NH2+]C1)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000621641159 715013586 /nfs/dbraw/zinc/01/35/86/715013586.db2.gz BJYSTJPRVDPHAS-QFBILLFUSA-N 2 0 363.933 3.373 20 0 FGADRP [NH3+]C[C@@H]1CC[C@H]([NH2+][C@@H](c2ccc(Br)cc2)[C@H]2CCCO2)C1 ZINC000643542703 718038797 /nfs/dbraw/zinc/03/87/97/718038797.db2.gz DJMLNRCCNRQTBT-ZFVVBOAOSA-N 2 0 353.304 3.386 20 0 FGADRP COc1cc(OC)c(C[C@@H](C)[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)c(OC)c1 ZINC000623538598 715356807 /nfs/dbraw/zinc/35/68/07/715356807.db2.gz LDHCCTDVGSACGX-CABCVRRESA-N 2 0 350.503 3.106 20 0 FGADRP Cc1csc([C@@H](C)[NH2+]CCCN2CC[N@H+](C)C[C@H]2c2ccccc2)n1 ZINC000623861469 715417373 /nfs/dbraw/zinc/41/73/73/715417373.db2.gz YYEVPUSFKJSPSK-MJGOQNOKSA-N 2 0 358.555 3.481 20 0 FGADRP C[NH+]1CCC(N2CC[C@H]([NH2+][C@@H]3CCc4cc(F)c(Cl)cc43)C2)CC1 ZINC000623892988 715425982 /nfs/dbraw/zinc/42/59/82/715425982.db2.gz BKOBYRDEROENER-IFXJQAMLSA-N 2 0 351.897 3.225 20 0 FGADRP Cc1ccccc1-c1nsc(N(CCC[NH+](C)C)CCC[NH+](C)C)n1 ZINC000624017358 715454334 /nfs/dbraw/zinc/45/43/34/715454334.db2.gz YCJSUXUDPFDLFZ-UHFFFAOYSA-N 2 0 361.559 3.223 20 0 FGADRP CC[N@H+](C)C[C@@H]1CC[NH+](CC[C@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000779477312 724415993 /nfs/dbraw/zinc/41/59/93/724415993.db2.gz AREXPXWVGPWAAJ-MSOLQXFVSA-N 2 0 353.551 3.297 20 0 FGADRP C[C@@H]1C[NH+](CCOCC[N@@H+]2C[C@@H](C)C(F)(F)[C@@H](C)C2)C[C@H](C)C1(F)F ZINC000625654779 715767616 /nfs/dbraw/zinc/76/76/16/715767616.db2.gz QUKODWIPQUXHOZ-GEEKYZPCSA-N 2 0 368.459 3.449 20 0 FGADRP C[N@@H+]1CCC[C@@H]1CNC(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000626597667 715934562 /nfs/dbraw/zinc/93/45/62/715934562.db2.gz DHTCXHIFFTVCIG-QGZVFWFLSA-N 2 0 362.543 3.090 20 0 FGADRP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2CCc1cccc(C(F)(F)F)c1 ZINC000628191008 716123233 /nfs/dbraw/zinc/12/32/33/716123233.db2.gz XFTQCDZQJKQZCK-SQNIBIBYSA-N 2 0 356.432 3.431 20 0 FGADRP C[NH+]1CCC(N2CC[C@@H]([NH2+]CCc3cccc(C(F)(F)F)c3)C2)CC1 ZINC000628214926 716126322 /nfs/dbraw/zinc/12/63/22/716126322.db2.gz RQLMBXGRHUWDBQ-QGZVFWFLSA-N 2 0 355.448 3.006 20 0 FGADRP CC[C@@H]1[NH2+]CC[C@H]1NC1CC[NH+](Cc2ccccc2Br)CC1 ZINC000629387452 716281327 /nfs/dbraw/zinc/28/13/27/716281327.db2.gz AHSUTPDQLAAEHZ-ZWKOTPCHSA-N 2 0 366.347 3.144 20 0 FGADRP C[NH2+]CCOCC[NH2+][C@H]1CCCc2c3cc(Br)ccc3[nH]c21 ZINC000629530929 716303308 /nfs/dbraw/zinc/30/33/08/716303308.db2.gz VLVGSDBFHXVMSU-INIZCTEOSA-N 2 0 366.303 3.133 20 0 FGADRP C[NH2+]CCOCC[NH2+][C@@H](c1ccccc1)c1cccc(Br)c1 ZINC000629531089 716304328 /nfs/dbraw/zinc/30/43/28/716304328.db2.gz ZVGRIMMGWFNOIC-SFHVURJKSA-N 2 0 363.299 3.364 20 0 FGADRP C[NH2+]CCOCC[NH2+][C@H](c1ccccc1)c1cccc(Br)c1 ZINC000629531088 716304656 /nfs/dbraw/zinc/30/46/56/716304656.db2.gz ZVGRIMMGWFNOIC-GOSISDBHSA-N 2 0 363.299 3.364 20 0 FGADRP [NH3+]CCCOCC[NH2+][C@@H]1CCCc2c3cc(Br)ccc3[nH]c21 ZINC000629540728 716305175 /nfs/dbraw/zinc/30/51/75/716305175.db2.gz WWMRFXMYBNRUKL-MRXNPFEDSA-N 2 0 366.303 3.263 20 0 FGADRP C[N@H+](CCOCC[NH3+])Cc1cn(-c2ccccc2Cl)nc1C(C)(C)C ZINC000629663300 716332905 /nfs/dbraw/zinc/33/29/05/716332905.db2.gz IEWOQMWAHWVDHT-UHFFFAOYSA-N 2 0 364.921 3.230 20 0 FGADRP O[C@@H]1CCC[C@@H]1[NH+]1CCC([NH2+]Cc2ccc(CC(F)(F)F)cc2)CC1 ZINC000631091421 716563964 /nfs/dbraw/zinc/56/39/64/716563964.db2.gz MOADIDJXWGEVFA-ZWKOTPCHSA-N 2 0 356.432 3.259 20 0 FGADRP OCC[C@H]([NH2+]C1CCN(C[C@H]2CCCO2)CC1)c1ccc(Cl)c(F)c1 ZINC000631663429 716655998 /nfs/dbraw/zinc/65/59/98/716655998.db2.gz XXGFVRYEDQYWGA-APWZRJJASA-N 2 0 370.896 3.136 20 0 FGADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@@H](CO)c1cccc(C(F)(F)F)c1 ZINC000635006224 717139644 /nfs/dbraw/zinc/13/96/44/717139644.db2.gz XXXFAVWYHSLTOW-PXAZEXFGSA-N 2 0 353.388 3.252 20 0 FGADRP CC(C)(C)[N@@H+]1CCc2nc(NC(=O)C34CCC[NH+](CCC3)C4)sc2C1 ZINC000636057186 717227095 /nfs/dbraw/zinc/22/70/95/717227095.db2.gz JQDLMWDLBJRSPK-UHFFFAOYSA-N 2 0 362.543 3.114 20 0 FGADRP CCCC[NH+]1CCC(NC(=O)[C@H]([NH3+])c2ccc(C(F)(F)F)cc2)CC1 ZINC000638088521 717407240 /nfs/dbraw/zinc/40/72/40/717407240.db2.gz NCYGRRPMMWSGIN-MRXNPFEDSA-N 2 0 357.420 3.086 20 0 FGADRP CC(C)(O)C(C)(C)[NH2+]CC(C[NH2+]C(C)(C)C(C)(C)O)c1ccccc1 ZINC000639559462 717571874 /nfs/dbraw/zinc/57/18/74/717571874.db2.gz WKLIRAWQIKENLE-UHFFFAOYSA-N 2 0 350.547 3.048 20 0 FGADRP Cc1sc2nc([C@H](C)[N@@H+]3CCC4(C3)CC[NH+](C)CC4)nc(N)c2c1C ZINC000639758854 717599302 /nfs/dbraw/zinc/59/93/02/717599302.db2.gz XHLHBHKONGVWCZ-ZDUSSCGKSA-N 2 0 359.543 3.369 20 0 FGADRP C[C@H]([NH2+]CCC(=O)Nc1cccc(C(F)(F)F)c1)C1CC[NH+](C)CC1 ZINC000644563205 718124475 /nfs/dbraw/zinc/12/44/75/718124475.db2.gz SWHUQCPLUUZNHQ-ZDUSSCGKSA-N 2 0 357.420 3.354 20 0 FGADRP C[N@@H+]1CCC[C@@H](CC[NH2+]CCC(=O)Nc2ccc(Br)cc2)C1 ZINC000644669099 718140072 /nfs/dbraw/zinc/14/00/72/718140072.db2.gz DEMNAMJQDAKEFY-AWEZNQCLSA-N 2 0 368.319 3.099 20 0 FGADRP C[NH2+][C@H](CC(C)(C)C)C(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000645808378 718243169 /nfs/dbraw/zinc/24/31/69/718243169.db2.gz MNVPEIFVECKNLA-NVXWUHKLSA-N 2 0 351.560 3.101 20 0 FGADRP O=C(C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1)Nc1ccc(F)c(Cl)c1 ZINC000647975399 718390889 /nfs/dbraw/zinc/39/08/89/718390889.db2.gz ZVQDNPSEZJQEIL-KBPBESRZSA-N 2 0 353.869 3.129 20 0 FGADRP CSc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cc1 ZINC000647975972 718391459 /nfs/dbraw/zinc/39/14/59/718391459.db2.gz IHRCCDNWSIBMBO-ULQDDVLXSA-N 2 0 361.555 3.447 20 0 FGADRP Cc1cc(C[N@@H+]2CCOC3(CC[NH+](C)CC3)C2)cc(C)c1OC(F)F ZINC000648071441 718397770 /nfs/dbraw/zinc/39/77/70/718397770.db2.gz BXIBKYZHPGOMOP-UHFFFAOYSA-N 2 0 354.441 3.201 20 0 FGADRP C[C@@H]1COCCCN1Cc1cc(C[N@@H+]2CCCOC[C@H]2C)ccc1F ZINC000649391551 718510783 /nfs/dbraw/zinc/51/07/83/718510783.db2.gz QOJUTXDCFQXQCR-IAGOWNOFSA-N 2 0 350.478 3.047 20 0 FGADRP COc1ccc2nc(C[N@@H+]3CCC[C@H]([C@H]4C[C@@H]([NH3+])CCO4)C3)sc2c1 ZINC000650707482 718717753 /nfs/dbraw/zinc/71/77/53/718717753.db2.gz HAXHHTZNFKRYCA-GRDNDAEWSA-N 2 0 361.511 3.023 20 0 FGADRP COc1cc(C[N@@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)ccc1OCC(F)(F)F ZINC000650709553 718718258 /nfs/dbraw/zinc/71/82/58/718718258.db2.gz FICLAGLPQZHRQI-YOEHRIQHSA-N 2 0 358.404 3.197 20 0 FGADRP CC(=O)N(c1nc(C[NH2+]CCC2(C[NH3+])CC2)cs1)c1ccc(F)cc1 ZINC000650713091 718718722 /nfs/dbraw/zinc/71/87/22/718718722.db2.gz FJXGLSQVZQBEDY-UHFFFAOYSA-N 2 0 362.474 3.185 20 0 FGADRP Cc1c(Br)cccc1C[N@@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652350382 718935234 /nfs/dbraw/zinc/93/52/34/718935234.db2.gz WJFFIPBUXLUOPV-JZXOWHBKSA-N 2 0 367.331 3.476 20 0 FGADRP CC(C)CCc1nc(C[N@@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)cs1 ZINC000652348663 718935382 /nfs/dbraw/zinc/93/53/82/718935382.db2.gz MKSJWOTYARXLEQ-LZLYRXPVSA-N 2 0 351.560 3.450 20 0 FGADRP C[C@]1(C[NH3+])CCN(C(=O)Nc2ccc(SCC[NH+]3CCCC3)cc2)C1 ZINC000652614118 718966519 /nfs/dbraw/zinc/96/65/19/718966519.db2.gz OKCTUIUCUYUORX-LJQANCHMSA-N 2 0 362.543 3.077 20 0 FGADRP O=C(NCC1CC[NH+](Cc2ccccc2Cl)CC1)[C@H]1CCC[NH2+]CC1 ZINC000653117732 719014027 /nfs/dbraw/zinc/01/40/27/719014027.db2.gz URXZTDLBBIVRFU-KRWDZBQOSA-N 2 0 363.933 3.058 20 0 FGADRP c1ccc([C@@H]2C[NH2+]C[C@]23CCN(c2ccc(C[NH+]4CCCC4)cn2)C3)cc1 ZINC001164623035 719047608 /nfs/dbraw/zinc/04/76/08/719047608.db2.gz LMRHSSLVHSEYHG-GMAHTHKFSA-N 2 0 362.521 3.261 20 0 FGADRP C[NH+](C)Cc1ccnc(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC001164623349 719105269 /nfs/dbraw/zinc/10/52/69/719105269.db2.gz CNFQIXFCXCZVFK-RTWAWAEBSA-N 2 0 350.510 3.244 20 0 FGADRP c1csc([C@H](CNC2CC[NH+](C[C@@H]3CCCO3)CC2)[NH+]2CCCC2)c1 ZINC000655680758 719324847 /nfs/dbraw/zinc/32/48/47/719324847.db2.gz RNGLQTLQXVJJEO-OALUTQOASA-N 2 0 363.571 3.118 20 0 FGADRP CC[N@H+](CCCNC1CC[NH+](C[C@@H]2CCCO2)CC1)C1CCCCC1 ZINC000655792740 719340033 /nfs/dbraw/zinc/34/00/33/719340033.db2.gz OFKLYDMECVQVSX-NRFANRHFSA-N 2 0 351.579 3.264 20 0 FGADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2ccc(OC(F)F)c(Br)c2)C1 ZINC000655825987 719344712 /nfs/dbraw/zinc/34/47/12/719344712.db2.gz ATNMDHRUGUOAKS-TXEJJXNPSA-N 2 0 363.246 3.480 20 0 FGADRP c1csc([C@@H](C[NH2+]Cc2ccnn2-c2cc[nH+]cc2)N2CCCC2)c1 ZINC000657286050 719618314 /nfs/dbraw/zinc/61/83/14/719618314.db2.gz MKEBUFMHVMLYLS-GOSISDBHSA-N 2 0 353.495 3.256 20 0 FGADRP NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+]Cc2ccc(-c3cccs3)cc2)C1 ZINC000657349082 719631371 /nfs/dbraw/zinc/63/13/71/719631371.db2.gz ADFPLCKDEBSGKZ-GOSISDBHSA-N 2 0 357.523 3.092 20 0 FGADRP C[C@@H]1CCCN(CCC[NH+]2CCCCC2)[C@@H]1CNC(=O)OC(C)(C)C ZINC000781898477 724608687 /nfs/dbraw/zinc/60/86/87/724608687.db2.gz LXVQKKDZUQDCHC-QZTJIDSGSA-N 2 0 353.551 3.488 20 0 FGADRP FC(F)Oc1ccc(C[NH2+]CC2CC[NH+](C3CCOCC3)CC2)cc1 ZINC000657536026 719667877 /nfs/dbraw/zinc/66/78/77/719667877.db2.gz DWKNRBZTJJHULT-UHFFFAOYSA-N 2 0 354.441 3.269 20 0 FGADRP Brc1ccc(C[NH2+]CC2CC[NH+](C3CCOCC3)CC2)s1 ZINC000657535914 719668064 /nfs/dbraw/zinc/66/80/64/719668064.db2.gz DMULAWNGWOBCKT-UHFFFAOYSA-N 2 0 373.360 3.491 20 0 FGADRP CN(CC(C)(C)[NH3+])C(=O)Nc1cc(Cl)ccc1OC1CC[NH+](C)CC1 ZINC000659016003 719850640 /nfs/dbraw/zinc/85/06/40/719850640.db2.gz SCWAOKXJUVCPSC-UHFFFAOYSA-N 2 0 368.909 3.014 20 0 FGADRP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](CCC(=O)Nc1ccc(Cl)cc1F)C2 ZINC000660654050 720090507 /nfs/dbraw/zinc/09/05/07/720090507.db2.gz CFOYBPKXVVDGCB-GOSISDBHSA-N 2 0 353.869 3.225 20 0 FGADRP COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1[nH+]c(C)cc3[nH]ccc31)C2 ZINC001164815406 720126487 /nfs/dbraw/zinc/12/64/87/720126487.db2.gz VJBLTGPAHCKLAL-LAUBAEHRSA-N 2 0 354.498 3.056 20 0 FGADRP CC(C)[NH+]1CCN(CCC[NH2+][C@@H](CO)c2cccc(Cl)c2Cl)CC1 ZINC000662052532 720365700 /nfs/dbraw/zinc/36/57/00/720365700.db2.gz RZYCUGQYONHHOP-KRWDZBQOSA-N 2 0 374.356 3.033 20 0 FGADRP Brc1ccccc1[C@@H]1CCC[N@@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662258510 720405741 /nfs/dbraw/zinc/40/57/41/720405741.db2.gz JFULEXXAETWTPD-CJNGLKHVSA-N 2 0 351.288 3.107 20 0 FGADRP c1csc(-c2noc(CCC[NH+]3CCC([C@@H]4CCC[NH2+]C4)CC3)n2)c1 ZINC000662290534 720410684 /nfs/dbraw/zinc/41/06/84/720410684.db2.gz FTOAKQGCCFDZEU-MRXNPFEDSA-N 2 0 360.527 3.442 20 0 FGADRP O=C1[C@H]([N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)CCN1c1ccccc1Cl ZINC000662295210 720411595 /nfs/dbraw/zinc/41/15/95/720411595.db2.gz FYTHBKYEAUEELA-QFBILLFUSA-N 2 0 361.917 3.157 20 0 FGADRP C[C@@H]1CCC[N@H+](CC(=O)NCCCSc2ccccc2)[C@@H]1CCC[NH3+] ZINC000662312820 720414063 /nfs/dbraw/zinc/41/40/63/720414063.db2.gz FRTWHVLYXGVUJE-IEBWSBKVSA-N 2 0 363.571 3.124 20 0 FGADRP C[NH2+]CCCC(=O)N1CCC([NH2+]Cc2c(Cl)oc3ccccc32)CC1 ZINC000663502735 720520409 /nfs/dbraw/zinc/52/04/09/720520409.db2.gz ABUXKJNYMBQEFR-UHFFFAOYSA-N 2 0 363.889 3.166 20 0 FGADRP CC(C)(C)N(c1ccc(C[NH+]2CCCC2)cn1)[C@@H]1COC2(C1)CC[NH2+]CC2 ZINC001164736191 720546293 /nfs/dbraw/zinc/54/62/93/720546293.db2.gz VJNJJSKIDBTESM-IBGZPJMESA-N 2 0 372.557 3.193 20 0 FGADRP Cc1c[nH+]c(N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)c(N)c1 ZINC001164841719 720704816 /nfs/dbraw/zinc/70/48/16/720704816.db2.gz WFPKARFIPWTWTF-IBGZPJMESA-N 2 0 366.509 3.232 20 0 FGADRP Cc1c[nH+]c(N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)c(N)c1 ZINC001164841721 720704951 /nfs/dbraw/zinc/70/49/51/720704951.db2.gz WFPKARFIPWTWTF-LJQANCHMSA-N 2 0 366.509 3.232 20 0 FGADRP C[NH2+]CCCC(=O)N1CCC([NH2+][C@@H](C)c2ccc(Cl)c(F)c2)CC1 ZINC000665287214 720750022 /nfs/dbraw/zinc/75/00/22/720750022.db2.gz FKRBHKFDNWFXJH-ZDUSSCGKSA-N 2 0 355.885 3.120 20 0 FGADRP C[NH+](C)C[C@H](NC(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C)c1ccc(Cl)cc1 ZINC000665357536 720759250 /nfs/dbraw/zinc/75/92/50/720759250.db2.gz OZOMCEFURXGWGQ-SJORKVTESA-N 2 0 366.937 3.115 20 0 FGADRP O=C(NCCC[NH2+]C1CCCCC1)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000666668459 720960107 /nfs/dbraw/zinc/96/01/07/720960107.db2.gz AATIBHRLLFYYNX-SFHVURJKSA-N 2 0 350.551 3.005 20 0 FGADRP Cc1[nH+]c(N2CCn3c(C[N@@H+](C)C(C)C)cnc3[C@@H]2C)cc2[nH]ccc21 ZINC001164858861 720992555 /nfs/dbraw/zinc/99/25/55/720992555.db2.gz IPRUHOGZPRRHDX-HNNXBMFYSA-N 2 0 352.486 3.489 20 0 FGADRP Cc1nn(Cc2ccccc2Cl)c(C)c1C[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000666954069 721005097 /nfs/dbraw/zinc/00/50/97/721005097.db2.gz PAZMKIXMIXJCOL-LJQANCHMSA-N 2 0 358.917 3.433 20 0 FGADRP Fc1cccc(O[C@H]2C[C@@H]3CN(c4[nH+]ccc5[nH]ccc54)CC[N@@H+]3C2)c1 ZINC001164899047 721513489 /nfs/dbraw/zinc/51/34/89/721513489.db2.gz JSMWLMWNXJMAQT-WBVHZDCISA-N 2 0 352.413 3.044 20 0 FGADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000670136241 721519251 /nfs/dbraw/zinc/51/92/51/721519251.db2.gz SHTMOXTVEJRQJJ-ROUUACIJSA-N 2 0 366.937 3.116 20 0 FGADRP Cc1cc2[nH]ccc2c(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)[nH+]1 ZINC001164903479 721539344 /nfs/dbraw/zinc/53/93/44/721539344.db2.gz CZPCDXRIFPIEJE-WMZOPIPTSA-N 2 0 366.440 3.352 20 0 FGADRP CCC[N@H+](C)[C@@H](CNC(=O)[C@@H]1CCCC[NH+]1C)c1ccc(Cl)cc1 ZINC000672053240 721620025 /nfs/dbraw/zinc/62/00/25/721620025.db2.gz YICHWCPHQRBGAI-ROUUACIJSA-N 2 0 351.922 3.323 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@H](CO)c2ccc(Cl)cc2)[C@H](C)C1 ZINC000672620774 721639478 /nfs/dbraw/zinc/63/94/78/721639478.db2.gz RNUDOZGSMZTFND-POAQFYNOSA-N 2 0 368.949 3.143 20 0 FGADRP CC[C@H](C[NH+]1CCCC1)NC(=O)NC[C@@H](c1ccsc1)[NH+](CC)CC ZINC000675178224 721735785 /nfs/dbraw/zinc/73/57/85/721735785.db2.gz VAKSPHHTOWTYQD-MSOLQXFVSA-N 2 0 366.575 3.305 20 0 FGADRP Cc1cc(Cl)cc2c1OCCC[C@H]2[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000676235482 721792134 /nfs/dbraw/zinc/79/21/34/721792134.db2.gz IKYOBFZYUWPRPI-GOSISDBHSA-N 2 0 365.949 3.478 20 0 FGADRP Cn1ccc2c1cc[nH+]c2N1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC001164951979 722015189 /nfs/dbraw/zinc/01/51/89/722015189.db2.gz FJTYDGSBZKPOIU-UHFFFAOYSA-N 2 0 361.493 3.461 20 0 FGADRP Cc1cc(Br)cn2cc(C[NH2+][C@H](C)C3CC[NH+](C)CC3)nc12 ZINC000680636042 722141134 /nfs/dbraw/zinc/14/11/34/722141134.db2.gz MCDULEVOCZSVBF-CYBMUJFWSA-N 2 0 365.319 3.225 20 0 FGADRP C[N@@H+]1CCCC[C@@H](C[NH2+]CCC2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000700809383 722409767 /nfs/dbraw/zinc/40/97/67/722409767.db2.gz OUVXFIXVIMKUKS-SFHVURJKSA-N 2 0 353.551 3.345 20 0 FGADRP C[C@@H]([NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)OC(C)(C)C)C2)C1CC[NH+](C)CC1 ZINC000709489485 722413201 /nfs/dbraw/zinc/41/32/01/722413201.db2.gz ZNPWOIFNKICCEU-ATLSCFEFSA-N 2 0 351.535 3.094 20 0 FGADRP CC[N@@H+]1CC[C@H]([NH2+]CCC2CCN(C(=O)OC(C)(C)C)CC2)[C@H](C)C1 ZINC000742385862 722556659 /nfs/dbraw/zinc/55/66/59/722556659.db2.gz ZAORDRRSKBIJJJ-AEFFLSMTSA-N 2 0 353.551 3.344 20 0 FGADRP C[NH+](C)CCOc1ccccc1N1CC[NH+](CCc2cccs2)CC1 ZINC000746463935 722603757 /nfs/dbraw/zinc/60/37/57/722603757.db2.gz ZUYNNDHADPXCAK-UHFFFAOYSA-N 2 0 359.539 3.053 20 0 FGADRP C[NH+]1CCC([C@@H]2CC[N@H+](CN3C(=O)C[C@H]3c3ccc(Cl)cc3)C2)CC1 ZINC000755781345 722956830 /nfs/dbraw/zinc/95/68/30/722956830.db2.gz VCRDEKFEDFVMJT-MJGOQNOKSA-N 2 0 361.917 3.235 20 0 FGADRP C[C@@H](NC(=O)OC(C)(C)C)C1CC[NH+](CC[C@H]2CCCC[N@@H+]2C)CC1 ZINC000760840211 723097207 /nfs/dbraw/zinc/09/72/07/723097207.db2.gz GRSYRBNLYHNVAU-SJLPKXTDSA-N 2 0 353.551 3.486 20 0 FGADRP CC(C)(C)C[NH+](CN1C[C@@]2(C[NH+]3CCC2CC3)OC1=O)CC(C)(C)C ZINC000790372460 723132584 /nfs/dbraw/zinc/13/25/84/723132584.db2.gz NUTXIMJWBNDNRZ-HXUWFJFHSA-N 2 0 351.535 3.255 20 0 FGADRP C[C@@H](CSC(C)(C)C)[NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000765519888 723520391 /nfs/dbraw/zinc/52/03/91/723520391.db2.gz MSCJFDJDZSUOIE-KRWDZBQOSA-N 2 0 350.576 3.104 20 0 FGADRP C[C@H]([NH2+]CCC1=CCN(C(=O)OC(C)(C)C)CC1)C1CC[NH+](C)CC1 ZINC000794835417 723548485 /nfs/dbraw/zinc/54/84/85/723548485.db2.gz JUTACEQSJHPOHT-INIZCTEOSA-N 2 0 351.535 3.264 20 0 FGADRP CCO[C@H](CC[NH+](C)C)C[NH2+]Cc1c(Cl)nc2cc(Cl)ccn21 ZINC000796317991 723632648 /nfs/dbraw/zinc/63/26/48/723632648.db2.gz VPNNSCHZPLGKDH-CYBMUJFWSA-N 2 0 359.301 3.088 20 0 FGADRP C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)Cc1ccc(C[NH+](C)C)cc1 ZINC000768239154 723651498 /nfs/dbraw/zinc/65/14/98/723651498.db2.gz GJZAPYALQPSROY-MRXNPFEDSA-N 2 0 360.523 3.345 20 0 FGADRP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)[C@H]2CCC[C@H]21 ZINC000796737383 723652606 /nfs/dbraw/zinc/65/26/06/723652606.db2.gz AGVOYMRSRZFUBY-XWTMOSNGSA-N 2 0 351.535 3.096 20 0 FGADRP C[N@@H+]1CC[C@H]([NH2+]C[C@H](O)c2ccc(OC(F)(F)F)cc2)[C@H]2CCC[C@@H]21 ZINC000796736802 723652681 /nfs/dbraw/zinc/65/26/81/723652681.db2.gz HPMCCPJLPMLPMW-QZWWFDLISA-N 2 0 358.404 3.081 20 0 FGADRP C[N@@H+]1CC[C@H]([NH2+]CCCN(C(=O)OC(C)(C)C)C2CC2)[C@@H]2CCC[C@H]21 ZINC000796748414 723653380 /nfs/dbraw/zinc/65/33/80/723653380.db2.gz LCWZVORPUABLAU-OKZBNKHCSA-N 2 0 351.535 3.238 20 0 FGADRP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@H](NC(=O)OC(C)(C)C)C2)[C@@H]2CCC[C@H]21 ZINC000796959042 723661301 /nfs/dbraw/zinc/66/13/01/723661301.db2.gz LKEHEEBRYNTNRD-RSJGLCBASA-N 2 0 351.535 3.285 20 0 FGADRP CC(C)[N@H+](C)CC1CC[NH+](C[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC000768927269 723672361 /nfs/dbraw/zinc/67/23/61/723672361.db2.gz SDSUOAKXJXCOBO-SFHVURJKSA-N 2 0 353.551 3.438 20 0 FGADRP C[C@H](CNCc1c(Cl)cccc1N1CC[NH+](C)CC1)[NH+]1CCCCC1 ZINC000770726659 723720175 /nfs/dbraw/zinc/72/01/75/723720175.db2.gz POVKXUHTXIBXKY-QGZVFWFLSA-N 2 0 364.965 3.056 20 0 FGADRP CC[NH+](CC)Cc1cc([C@H](C)[NH2+]CC2([S@@](C)=O)CC2)ccc1OC ZINC000799728812 724088299 /nfs/dbraw/zinc/08/82/99/724088299.db2.gz NJLURDYYBAEOPM-IZHWHUGBSA-N 2 0 352.544 3.099 20 0 FGADRP CS[C@H]1CC[C@@H]([NH2+]Cc2c(Cl)cccc2N2CC[NH+](C)CC2)C1 ZINC000776700236 724172208 /nfs/dbraw/zinc/17/22/08/724172208.db2.gz LDQWUDLOILHJLA-CABCVRRESA-N 2 0 353.963 3.466 20 0 FGADRP C[C@H]([NH2+]CC1CN(C(=O)OC(C)(C)C)C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000800373011 724188290 /nfs/dbraw/zinc/18/82/90/724188290.db2.gz GBYVRUFOZCJYFY-RDJZCZTQSA-N 2 0 351.535 3.096 20 0 FGADRP C[NH+](C)[C@H]1CCC[N@H+](CC[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000801949003 724349685 /nfs/dbraw/zinc/34/96/85/724349685.db2.gz AKGYXAIKAKBUMM-ROUUACIJSA-N 2 0 353.551 3.440 20 0 FGADRP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000788525037 725070372 /nfs/dbraw/zinc/07/03/72/725070372.db2.gz AYTASEJNIOJDCF-IAGOWNOFSA-N 2 0 353.551 3.344 20 0 FGADRP C[C@H]([NH2+]CCC[N@H+]1C[C@H](C)C[C@H](C)C1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000788540393 725071582 /nfs/dbraw/zinc/07/15/82/725071582.db2.gz QPTCDZSQRDGIBA-BBWFWOEESA-N 2 0 353.551 3.199 20 0 FGADRP CC[C@@H](C)C[NH2+]C1CCC([NH+]2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000812802276 726813501 /nfs/dbraw/zinc/81/35/01/726813501.db2.gz GBAGHSLCAJCASN-WWDZGPRUSA-N 2 0 353.551 3.486 20 0 FGADRP O[C@@H]1CCC[NH+](CCCCCCCCC[N@H+]2CCC[C@@H](O)CC2)CC1 ZINC000815301196 727062412 /nfs/dbraw/zinc/06/24/12/727062412.db2.gz TZJVXKUZXWBDSF-NHCUHLMSSA-N 2 0 354.579 3.411 20 0 FGADRP C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1[NH2+]CCCCC[NH+]1CCCC1 ZINC000815646814 727088270 /nfs/dbraw/zinc/08/82/70/727088270.db2.gz SYHYBDNAHNDNPR-MSOLQXFVSA-N 2 0 353.551 3.488 20 0 FGADRP C[C@H]([NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1)c1ccc(Cl)nc1 ZINC000817983924 727290259 /nfs/dbraw/zinc/29/02/59/727290259.db2.gz LURMKSVFOBUBAP-INIZCTEOSA-N 2 0 358.917 3.379 20 0 FGADRP C[C@H](NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1)c1cccnc1Cl ZINC000817984784 727290270 /nfs/dbraw/zinc/29/02/70/727290270.db2.gz ZZMRHRGWASGOFK-INIZCTEOSA-N 2 0 358.917 3.379 20 0 FGADRP CC(C)[NH+]1CCC([NH2+]C[C@H](O)c2ccc(F)c(Br)c2)CC1 ZINC000818940696 727328420 /nfs/dbraw/zinc/32/84/20/727328420.db2.gz CBSRIPUMAYYIEK-INIZCTEOSA-N 2 0 359.283 3.084 20 0 FGADRP O[C@@H](C[NH2+]C1CC[NH+](CC2CC2)CC1)c1ccc(F)c(Br)c1 ZINC000818967366 727331938 /nfs/dbraw/zinc/33/19/38/727331938.db2.gz UHAPXRGFIHNCFI-KRWDZBQOSA-N 2 0 371.294 3.086 20 0 FGADRP C[C@@H](C[NH2+]C[C@@H](O)c1ccc(F)c(Br)c1)C[NH+]1CCCCC1 ZINC000818970598 727332283 /nfs/dbraw/zinc/33/22/83/727332283.db2.gz XCHYHHNVNBTETA-SUMWQHHRSA-N 2 0 373.310 3.333 20 0 FGADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]C[C@@H](O)c2ccc(OC(F)(F)F)cc2)C1 ZINC000818985707 727334917 /nfs/dbraw/zinc/33/49/17/727334917.db2.gz VDBUDTRUPLHIQU-WMLDXEAASA-N 2 0 360.420 3.329 20 0 FGADRP CCN1CC[NH+](CCCC[NH2+]C[C@@H](O)c2ccc(Cl)cc2Cl)CC1 ZINC000819062289 727343510 /nfs/dbraw/zinc/34/35/10/727343510.db2.gz PGXCHAQIRFLENR-GOSISDBHSA-N 2 0 374.356 3.034 20 0 FGADRP CC(C)C[N@@H+]1CC[C@@H](C[NH2+]C[C@@H](O)c2ccc(F)c(Br)c2)C1 ZINC000819152194 727353172 /nfs/dbraw/zinc/35/31/72/727353172.db2.gz NYCNFHSPPFLYRQ-SUMWQHHRSA-N 2 0 373.310 3.189 20 0 FGADRP C[NH+](C)CCc1ccc(C[NH2+]C[C@@H](O)c2ccc(F)cc2Cl)cc1 ZINC000819252050 727361602 /nfs/dbraw/zinc/36/16/02/727361602.db2.gz NEJZORKVCDGCPR-LJQANCHMSA-N 2 0 350.865 3.406 20 0 FGADRP O[C@@H](C[NH2+]C1CC[NH+](C2CCC2)CC1)c1ccc(OC(F)(F)F)cc1 ZINC000819354526 727370433 /nfs/dbraw/zinc/37/04/33/727370433.db2.gz KTYXHAADNFGIQK-KRWDZBQOSA-N 2 0 358.404 3.225 20 0 FGADRP C[NH+](C)C1CCC([NH2+]C[C@@](C)(O)c2ccc(Br)cc2F)CC1 ZINC000819374736 727371835 /nfs/dbraw/zinc/37/18/35/727371835.db2.gz MTWVGVYSMUOIMI-MQBCKMQZSA-N 2 0 373.310 3.258 20 0 FGADRP CC(C)(C)OC(=O)N[C@@H]1C[C@H]([NH2+]C2CC[NH+](CC3CC3)CC2)C1(C)C ZINC000822489834 729180870 /nfs/dbraw/zinc/18/08/70/729180870.db2.gz KTJFGYKTSADFPM-DLBZAZTESA-N 2 0 351.535 3.142 20 0 FGADRP CC(C)[NH+]1CCC([N@H+](C)C[C@]23C[C@H]2CN(C(=O)OC(C)(C)C)C3)CC1 ZINC000823395531 729275561 /nfs/dbraw/zinc/27/55/61/729275561.db2.gz WZMJRIHOUVUGHK-JXFKEZNVSA-N 2 0 351.535 3.048 20 0 FGADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@]23C[C@H]2CN(C(=O)OC(C)(C)C)C3)C[C@@H]1C ZINC000823464892 729282825 /nfs/dbraw/zinc/28/28/25/729282825.db2.gz OGWCSOCEFRXGKU-BOSXTWCSSA-N 2 0 351.535 3.048 20 0 FGADRP C[C@H]1C[C@@H](C[NH2+]CC2(C)CC[NH+](C)CC2)CCN1C(=O)OC(C)(C)C ZINC000824131583 729320869 /nfs/dbraw/zinc/32/08/69/729320869.db2.gz WAKIZHAFROFRKU-IRXDYDNUSA-N 2 0 353.551 3.344 20 0 FGADRP C[NH+](C)[C@@H](CNC(=O)[C@H]([NH3+])c1cccc(C(F)(F)F)c1)c1cccs1 ZINC000876711008 736135138 /nfs/dbraw/zinc/13/51/38/736135138.db2.gz RQKZGOHTUKKEPF-DZGCQCFKSA-N 2 0 371.428 3.186 20 0 FGADRP C[C@@H]1C[C@@H](C[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)CCN1C(=O)OC(C)(C)C ZINC000824292937 729329089 /nfs/dbraw/zinc/32/90/89/729329089.db2.gz WOLVWIVIEINHRA-FGTMMUONSA-N 2 0 353.551 3.438 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)C[C@@H]([NH3+])c1cc(C)nc(Cl)c1)CC(C)C ZINC000831137924 729620473 /nfs/dbraw/zinc/62/04/73/729620473.db2.gz FIFLAIBPGDSNGA-IAGOWNOFSA-N 2 0 368.953 3.306 20 0 FGADRP C[N@@H+]1CC[C@@H](CNC(=O)CC[C@@H]2CCC[NH2+]2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000831480531 729645313 /nfs/dbraw/zinc/64/53/13/729645313.db2.gz DCMCVDVMIIPHLR-DOXZYTNZSA-N 2 0 367.896 3.120 20 0 FGADRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2cc3ccccc3c(Cl)n2)CC1 ZINC000832545007 729720094 /nfs/dbraw/zinc/72/00/94/729720094.db2.gz RLFMGWZXCHVRLZ-UHFFFAOYSA-N 2 0 360.933 3.394 20 0 FGADRP CC[C@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000834508745 729808641 /nfs/dbraw/zinc/80/86/41/729808641.db2.gz QGJVHUTVIFZPAZ-BPQIPLTHSA-N 2 0 351.535 3.238 20 0 FGADRP C[C@@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000840808730 730177373 /nfs/dbraw/zinc/17/73/73/730177373.db2.gz OPEDWRSWZMFJEZ-KGLIPLIRSA-N 2 0 360.470 3.065 20 0 FGADRP Cc1nn(Cc2ccc(C)cc2)c(Cl)c1C[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000841079279 730208267 /nfs/dbraw/zinc/20/82/67/730208267.db2.gz KUNGYOUVNUBCLE-GOSISDBHSA-N 2 0 358.917 3.433 20 0 FGADRP C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]CCCCCC[NH3+] ZINC000843128050 730589420 /nfs/dbraw/zinc/58/94/20/730589420.db2.gz SVNUTWJLFXXORA-CYBMUJFWSA-N 2 0 356.308 3.275 20 0 FGADRP C[C@H](C(=O)Nc1ccccc1C(F)(F)F)[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000843363811 730611048 /nfs/dbraw/zinc/61/10/48/730611048.db2.gz BHXLHXUCRKDZRI-CYBMUJFWSA-N 2 0 355.404 3.108 20 0 FGADRP CC(C)C[NH+]1CCC([NH2+]C2CC(CCNC(=O)OC(C)(C)C)C2)CC1 ZINC000845920687 730909688 /nfs/dbraw/zinc/90/96/88/730909688.db2.gz GMCTWQMDMPQTFZ-UHFFFAOYSA-N 2 0 353.551 3.390 20 0 FGADRP C[N@@H+]1CC[C@H]([NH2+]CC2(NC(=O)OC(C)(C)C)CCCC2)[C@H]2CCC[C@H]21 ZINC000850522653 731368823 /nfs/dbraw/zinc/36/88/23/731368823.db2.gz KOEBJQOQOCXUNU-IXDOHACOSA-N 2 0 351.535 3.286 20 0 FGADRP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1)C2 ZINC000852107752 731544092 /nfs/dbraw/zinc/54/40/92/731544092.db2.gz PVCWTWPKIDHXTE-YLJYHZDGSA-N 2 0 351.535 3.051 20 0 FGADRP C[C@H](C[C@H](C)NC(=O)OC(C)(C)C)[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000853242003 731686606 /nfs/dbraw/zinc/68/66/06/731686606.db2.gz YVUSKFQFSIPZLU-SOLBZPMBSA-N 2 0 353.551 3.390 20 0 FGADRP C[C@H](C[C@H](C)NC(=O)OC(C)(C)C)[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000853242002 731686688 /nfs/dbraw/zinc/68/66/88/731686688.db2.gz YVUSKFQFSIPZLU-RYRKJORJSA-N 2 0 353.551 3.390 20 0 FGADRP C[C@H](C[C@@H](C)[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1)NC(=O)OC(C)(C)C ZINC000853242001 731686727 /nfs/dbraw/zinc/68/67/27/731686727.db2.gz YVUSKFQFSIPZLU-NUJGCVRESA-N 2 0 353.551 3.390 20 0 FGADRP Cc1cc(C[NH2+]CCCC[NH+]2CCOCC2)c(Br)cc1F ZINC000858099774 732180575 /nfs/dbraw/zinc/18/05/75/732180575.db2.gz XLIMCLQECNRBLR-UHFFFAOYSA-N 2 0 359.283 3.099 20 0 FGADRP Cc1nc(NC(=O)[C@@H](C)N(C)Cc2ccc(C[NH+](C)C)cc2)sc1C ZINC000859212274 732290361 /nfs/dbraw/zinc/29/03/61/732290361.db2.gz MCSLLFHYFAMNEG-CQSZACIVSA-N 2 0 360.527 3.281 20 0 FGADRP CC(C)[NH+]1CCC([NH2+]C[C@H]2CC(F)(F)CN2C(=O)OC(C)(C)C)CC1 ZINC000862263671 732801539 /nfs/dbraw/zinc/80/15/39/732801539.db2.gz LRROTJBTAKUNSS-OAHLLOKOSA-N 2 0 361.477 3.094 20 0 FGADRP C[C@@H]1C[C@H](C[NH2+]C[C@H]2CCCC[N@H+](C)C2)CCN1C(=O)OC(C)(C)C ZINC000862482245 732839827 /nfs/dbraw/zinc/83/98/27/732839827.db2.gz FVKKEYPLSYVKHJ-KZNAEPCWSA-N 2 0 353.551 3.344 20 0 FGADRP CC(C)(C)OC(=O)N[C@H](C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)CC(F)(F)F ZINC000865416499 733194908 /nfs/dbraw/zinc/19/49/08/733194908.db2.gz AJKFDRVIWUGFKX-HZSPNIEDSA-N 2 0 365.440 3.049 20 0 FGADRP CC(C)(C)OC(=O)N[C@@H](C[NH2+]C1CC([NH+]2CCCCC2)C1)CC(F)F ZINC000865549696 733225521 /nfs/dbraw/zinc/22/55/21/733225521.db2.gz UBINHQRVRVKZLU-SHARSMKWSA-N 2 0 361.477 3.141 20 0 FGADRP Cc1nn(C)c(OCC(F)(F)F)c1C[NH2+]C1CCC(C)([NH+](C)C)CC1 ZINC000865765951 733266083 /nfs/dbraw/zinc/26/60/83/733266083.db2.gz UGRSKESBNHMYAD-UHFFFAOYSA-N 2 0 362.440 3.022 20 0 FGADRP C[C@@H]([NH2+]CCN1CCC([NH+](C)C)CC1)c1cc2c(ccnc2Cl)o1 ZINC000866279218 733332493 /nfs/dbraw/zinc/33/24/93/733332493.db2.gz MICNUMNDQOHUAQ-CYBMUJFWSA-N 2 0 350.894 3.158 20 0 FGADRP COc1ccc([C@@H](C)[NH2+]CC[C@@H](O)C(F)F)cc1C[NH+]1CCCCC1 ZINC000866442215 733350173 /nfs/dbraw/zinc/35/01/73/733350173.db2.gz HCTWTUJHXLAWIV-RHSMWYFYSA-N 2 0 356.457 3.348 20 0 FGADRP CC(C)[NH+]1CCC(CC[NH2+][C@@H]2CCS(=O)(=O)c3ccc(F)cc32)CC1 ZINC000866467562 733353585 /nfs/dbraw/zinc/35/35/85/733353585.db2.gz KICFRBZSGGSKLD-GOSISDBHSA-N 2 0 368.518 3.144 20 0 FGADRP C[C@H]([NH2+]C1CCC(C)([NH+](C)C)CC1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000866516011 733359149 /nfs/dbraw/zinc/35/91/49/733359149.db2.gz LSONMNVPINSMSG-UQHVZDHRSA-N 2 0 356.507 3.143 20 0 FGADRP C[C@H](CC(=O)Nc1cccnc1Cl)[NH2+]C1CCC(C)([NH+](C)C)CC1 ZINC000866515440 733359298 /nfs/dbraw/zinc/35/92/98/733359298.db2.gz BQXAATDJYBVWQG-WRSVWVKZSA-N 2 0 352.910 3.305 20 0 FGADRP CC[C@@H](CCC(F)(F)F)[NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000872040881 735580537 /nfs/dbraw/zinc/58/05/37/735580537.db2.gz CVQIMVMNPACKEP-HNNXBMFYSA-N 2 0 365.484 3.324 20 0 FGADRP Cc1sc(C[NH2+]C(C)(C)CCN2CC[NH+](C)CC2)cc1Br ZINC000873108386 735720785 /nfs/dbraw/zinc/72/07/85/735720785.db2.gz JIOHQCJCRBIHLY-UHFFFAOYSA-N 2 0 374.392 3.325 20 0 FGADRP O[C@H](c1ccc(F)cc1)C1CC[NH+](Cc2cc3c(s2)CC[NH2+]C3)CC1 ZINC000873204802 735737403 /nfs/dbraw/zinc/73/74/03/735737403.db2.gz ISOTWUFUKOXTGG-HXUWFJFHSA-N 2 0 360.498 3.479 20 0 FGADRP C[C@H](c1ccncc1)N1CCC([NH2+]Cc2cc3c(s2)CC[NH2+]C3)CC1 ZINC000873211585 735738333 /nfs/dbraw/zinc/73/83/33/735738333.db2.gz OUSHMXVDKZRGLM-OAHLLOKOSA-N 2 0 356.539 3.104 20 0 FGADRP C[C@H]([NH2+]Cc1cc2c(s1)CC[NH2+]C2)c1ccc(N2CCCC2=O)cc1 ZINC000873211153 735738763 /nfs/dbraw/zinc/73/87/63/735738763.db2.gz IFCCPPPXUHTPAQ-AWEZNQCLSA-N 2 0 355.507 3.371 20 0 FGADRP CCSc1cccc(C[NH2+]Cc2cccc(-n3cc(C[NH3+])nn3)c2)c1 ZINC000873219067 735739275 /nfs/dbraw/zinc/73/92/75/735739275.db2.gz UAGNJOZFGHAHEW-UHFFFAOYSA-N 2 0 353.495 3.128 20 0 FGADRP C[C@H]([NH2+]Cc1nc(-c2ccc(Br)cc2)c[nH]1)C1CC[NH2+]CC1 ZINC000873222518 735739704 /nfs/dbraw/zinc/73/97/04/735739704.db2.gz XMSHQIVAHHPBNW-LBPRGKRZSA-N 2 0 363.303 3.317 20 0 FGADRP CC(C)[NH+](CCCNC(=O)N1CCC2(CC1)CC[NH+](C)CC2)C(C)C ZINC000875332683 735978074 /nfs/dbraw/zinc/97/80/74/735978074.db2.gz JMMDVWWGMMHOFJ-UHFFFAOYSA-N 2 0 352.567 3.013 20 0 FGADRP Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)/C=C/[C@H]1CCC[NH2+]C1 ZINC000876743202 736138694 /nfs/dbraw/zinc/13/86/94/736138694.db2.gz CCQDPRMHOVBCFD-QQOXCAACSA-N 2 0 359.539 3.038 20 0 FGADRP Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)/C=C\[C@H]1CCC[NH2+]C1 ZINC000876743205 736139093 /nfs/dbraw/zinc/13/90/93/736139093.db2.gz CCQDPRMHOVBCFD-XTKXOIQPSA-N 2 0 359.539 3.038 20 0 FGADRP CCN1CC[NH+](CCCC[NH2+]Cc2cc3nc(Cl)ccc3s2)CC1 ZINC000876928382 736164040 /nfs/dbraw/zinc/16/40/40/736164040.db2.gz BVXDVIWFAMLAQJ-UHFFFAOYSA-N 2 0 366.962 3.457 20 0 FGADRP CC[N@@H+]1CCC[C@H](C[NH2+][C@H]2C[C@H]3C[C@@H](C2)N(C(=O)OC(C)(C)C)C3)C1 ZINC000876987991 736170805 /nfs/dbraw/zinc/17/08/05/736170805.db2.gz PJUXYHQAESZFHA-OWSLCNJRSA-N 2 0 351.535 3.096 20 0 FGADRP CSC(C)(C)CC[NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000877026488 736176823 /nfs/dbraw/zinc/17/68/23/736176823.db2.gz CZQIKTZTXKYXDF-GOSISDBHSA-N 2 0 363.571 3.005 20 0 FGADRP CSC(C)(C)CC[NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000877026491 736177476 /nfs/dbraw/zinc/17/74/76/736177476.db2.gz CZQIKTZTXKYXDF-SFHVURJKSA-N 2 0 363.571 3.005 20 0 FGADRP C[NH+]1CCN(c2cc[nH+]c(NCc3cc4c(ccnc4Cl)o3)c2)CC1 ZINC000877691118 736706427 /nfs/dbraw/zinc/70/64/27/736706427.db2.gz JFFLSJIWVMLWAN-UHFFFAOYSA-N 2 0 357.845 3.240 20 0 FGADRP Cc1cc(C)c(NC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c(Cl)c1 ZINC000877978921 736752179 /nfs/dbraw/zinc/75/21/79/736752179.db2.gz FPHIUNZEBPBDPD-HZPDHXFCSA-N 2 0 366.937 3.160 20 0 FGADRP C(CC1CC[NH+](C[C@H]2CCC3(CCOCC3)O2)CC1)C[NH+]1CCCC1 ZINC000878296052 736801367 /nfs/dbraw/zinc/80/13/67/736801367.db2.gz KSLBGJCWKOHIDK-HXUWFJFHSA-N 2 0 350.547 3.303 20 0 FGADRP CCOC(=O)c1sc([C@@H]2CC[N@H+](CCCC3CC[NH2+]CC3)C2)nc1C ZINC000883448305 737567512 /nfs/dbraw/zinc/56/75/12/737567512.db2.gz AGRLAMLSJRCUNH-MRXNPFEDSA-N 2 0 365.543 3.197 20 0 FGADRP Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)C(C)(C)[C@H]([NH3+])C(C)C ZINC000884207568 737643326 /nfs/dbraw/zinc/64/33/26/737643326.db2.gz ZBMQQGXBAIKHHZ-GOSISDBHSA-N 2 0 363.571 3.492 20 0 FGADRP CCC1([NH+](C)C)CCN(C(=O)[C@H](N)c2ccccc2C(F)(F)F)CC1 ZINC000884461464 737665987 /nfs/dbraw/zinc/66/59/87/737665987.db2.gz FUOQBMAQHGNFHF-OAHLLOKOSA-N 2 0 357.420 3.038 20 0 FGADRP CN(CCCCCC[NH3+])C(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000891626575 739922233 /nfs/dbraw/zinc/92/22/33/739922233.db2.gz CSZNQHUUTGPJOQ-QGZVFWFLSA-N 2 0 354.926 3.103 20 0 FGADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCC[N@H+](CC)C2)C[C@@H]1C(F)(F)F ZINC000892741444 740039600 /nfs/dbraw/zinc/03/96/00/740039600.db2.gz AXWXQVHQRIKVED-JONQDZQNSA-N 2 0 364.452 3.218 20 0 FGADRP CCN1CC[C@H]([NH2+]CC2CC[NH+](C)CC2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000893499074 742163010 /nfs/dbraw/zinc/16/30/10/742163010.db2.gz QWZBYHPAKVMBON-PKOBYXMFSA-N 2 0 355.448 3.171 20 0 FGADRP C[C@H]1C[C@@H](C(=O)Nc2ccc(C[NH+](C)C)c(C(F)(F)F)c2)CC[N@@H+]1C ZINC000894983754 742360256 /nfs/dbraw/zinc/36/02/56/742360256.db2.gz DVQXRWBYUWBJLO-STQMWFEESA-N 2 0 357.420 3.436 20 0 FGADRP Cn1c(Cl)cnc1C[NH2+][C@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000898520402 742804283 /nfs/dbraw/zinc/80/42/83/742804283.db2.gz XVBCAYWAYTVRHX-SQNIBIBYSA-N 2 0 358.917 3.464 20 0 FGADRP C[C@@H]([NH2+]C1CCC(C)([NH+]2CCC2)CC1)C1(NC(=O)OC(C)(C)C)CC1 ZINC000903226273 743825847 /nfs/dbraw/zinc/82/58/47/743825847.db2.gz KFHVFLGHEOWNIQ-MDCZIUGASA-N 2 0 351.535 3.429 20 0 FGADRP Cc1c(C[C@H](C[NH3+])C[N@H+]2CCS[C@H](C)[C@H]2c2ccccc2)cnn1C ZINC000903894581 743893885 /nfs/dbraw/zinc/89/38/85/743893885.db2.gz ACTNNKBQHXJWPU-HLIPFELVSA-N 2 0 358.555 3.025 20 0 FGADRP C[N@@H+]1CCC[C@H](CNC(=O)Nc2ccccc2C[NH3+])[C@@H]1c1cccs1 ZINC000904655135 743966409 /nfs/dbraw/zinc/96/64/09/743966409.db2.gz QEXSQKGUOHHMRV-CRAIPNDOSA-N 2 0 358.511 3.411 20 0 FGADRP CC(C)[C@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1cscc1Br)C2 ZINC000922390130 758910301 /nfs/dbraw/zinc/91/03/01/758910301.db2.gz KUPAXNISTHIDOP-KLHDSHLOSA-N 2 0 373.360 3.080 20 0 FGADRP CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1ccc(C(F)(F)F)s1)C2 ZINC000922388171 758910506 /nfs/dbraw/zinc/91/05/06/758910506.db2.gz CMNHMBNXFCFXBV-LUYZLQTOSA-N 2 0 362.461 3.336 20 0 FGADRP Cc1nc2ccc(C[NH2+][C@@H]3C[C@@]4(C[N@@H+](C)[C@@H]4C(C)C)C[C@H]3O)cc2s1 ZINC000922391189 758911485 /nfs/dbraw/zinc/91/14/85/758911485.db2.gz UKDDODOEDKVHCI-LFGUQSLTSA-N 2 0 359.539 3.174 20 0 FGADRP COc1ccc(-c2nc(C[N@@H+]3CC[C@@H](C[NH3+])[C@@H](C)C3)cs2)c(OC)c1 ZINC000923501987 759133432 /nfs/dbraw/zinc/13/34/32/759133432.db2.gz VDDTWMRACXXBFG-KBPBESRZSA-N 2 0 361.511 3.244 20 0 FGADRP C[NH+]1CCC(O)(C[NH2+][C@@H](Cc2cccc(F)c2Cl)c2ccco2)CC1 ZINC000925118257 759450268 /nfs/dbraw/zinc/45/02/68/759450268.db2.gz RYLKCMVXLGNBPO-INIZCTEOSA-N 2 0 366.864 3.402 20 0 FGADRP [NH3+]C1CCN(CC[NH2+][C@@H](c2ccc(Br)cc2F)C2CC2)CC1 ZINC000925812997 759549541 /nfs/dbraw/zinc/54/95/41/759549541.db2.gz QQRMEANUKROWDO-QGZVFWFLSA-N 2 0 370.310 3.052 20 0 FGADRP C[C@@H]([NH2+]CCCCCC1CC[NH2+]CC1)c1ccc(NS(C)(=O)=O)cc1 ZINC000925818340 759550776 /nfs/dbraw/zinc/55/07/76/759550776.db2.gz VCYOARBRHSLDOO-MRXNPFEDSA-N 2 0 367.559 3.269 20 0 FGADRP O=C1O[C@H](C[NH2+][C@H]2CCc3c2ccc(Cl)c3Cl)CC12CC[NH2+]CC2 ZINC000925856998 759560575 /nfs/dbraw/zinc/56/05/75/759560575.db2.gz YQXBLCUYXLWZHA-NHYWBVRUSA-N 2 0 369.292 3.256 20 0 FGADRP CC1(C)CN(C(=O)Nc2ccc(SCC[NH+]3CCCC3)cc2)C[C@H]1[NH3+] ZINC000926172783 759668364 /nfs/dbraw/zinc/66/83/64/759668364.db2.gz YIMZTKDMMWIHKH-QGZVFWFLSA-N 2 0 362.543 3.076 20 0 FGADRP CSC1(C[NH2+][C@@H](C)c2cccc(Br)n2)CC[NH+](C)CC1 ZINC000926448270 759754706 /nfs/dbraw/zinc/75/47/06/759754706.db2.gz MUWFFKIXBPSVQA-LBPRGKRZSA-N 2 0 358.349 3.322 20 0 FGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]C2CCC(C)([NH+]3CCC3)CC2)[C@@H](C)C1 ZINC000927039501 759880529 /nfs/dbraw/zinc/88/05/29/759880529.db2.gz UPRIPBYDIBUVFQ-JJBAYQRUSA-N 3 0 351.579 3.120 20 0 FGADRP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](C[C@@H](O)CCC2(O)CCC2)CC1 ZINC000929841082 760468519 /nfs/dbraw/zinc/46/85/19/760468519.db2.gz KBJFDBKFBPSICY-ICSRJNTNSA-N 2 0 352.563 3.019 20 0 FGADRP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCCCC[NH+]2Cc2ccsc2)CC[N@@H+]1C ZINC000968867361 762844248 /nfs/dbraw/zinc/84/42/48/762844248.db2.gz VLQYOHGDXDTERU-GBESFXJTSA-N 2 0 363.571 3.339 20 0 FGADRP C[C@H]([NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1)c1ccc(Cl)cc1 ZINC000983705696 763659312 /nfs/dbraw/zinc/65/93/12/763659312.db2.gz ZKGKZYHHUIWWQX-GLIGQWPOSA-N 2 0 363.933 3.226 20 0 FGADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](C[NH2+]Cc3cc(C)sc3C)C2)CC[N@@H+]1C ZINC000983712743 763662588 /nfs/dbraw/zinc/66/25/88/763662588.db2.gz CAHFQSQGQHHDBD-DSLXNQLJSA-N 2 0 363.571 3.080 20 0 FGADRP CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@H]1CCC[N@H+](CCC(C)(C)C)CC1 ZINC000998015005 765091504 /nfs/dbraw/zinc/09/15/04/765091504.db2.gz BJIWQTDYVBOJLA-CEXWTWQISA-N 2 0 351.579 3.466 20 0 FGADRP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]([NH2+]Cc3ccc(Cl)cc3)C2)CC[N@@H+]1C ZINC000999204459 765147494 /nfs/dbraw/zinc/14/74/94/765147494.db2.gz GCPZPPOCLKXHGD-GBESFXJTSA-N 2 0 363.933 3.151 20 0 FGADRP Cc1ccc(CN2CCC[C@@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)c(Cl)c1 ZINC001007376780 765590680 /nfs/dbraw/zinc/59/06/80/765590680.db2.gz NMKXUYYIWMSQAK-KBAYOESNSA-N 2 0 363.933 3.069 20 0 FGADRP C[C@@H]([NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1)c1cccc(Cl)c1F ZINC001020171354 765866095 /nfs/dbraw/zinc/86/60/95/765866095.db2.gz YNMGUDORHUDRDU-UTGUJQJDSA-N 2 0 367.896 3.117 20 0 FGADRP C[C@@H]1[C@H](C(=O)N2CCC[C@H]([NH+](C)Cc3cccc(Cl)c3)C2)CC[N@@H+]1C ZINC001027416162 766092916 /nfs/dbraw/zinc/09/29/16/766092916.db2.gz AEBHLIWHIXSKJZ-AYOQOUSVSA-N 2 0 363.933 3.103 20 0 FGADRP Cc1cccc(Cl)c1C[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001033090451 766205288 /nfs/dbraw/zinc/20/52/88/766205288.db2.gz AZWIPHMSUHWIMQ-BRWVUGGUSA-N 2 0 363.933 3.021 20 0 FGADRP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]2C[NH2+]Cc2ccc(Cl)cc2)CC[N@@H+]1C ZINC001034941246 766250551 /nfs/dbraw/zinc/25/05/51/766250551.db2.gz NWIRTHILSQDTSZ-CEXWTWQISA-N 2 0 363.933 3.151 20 0 FGADRP C[C@@H]1[C@H](C(=O)N[C@@H]2CCC[NH+](Cc3ccc(Cl)s3)CC2)CC[N@@H+]1C ZINC001052394002 766899983 /nfs/dbraw/zinc/89/99/83/766899983.db2.gz SYPRAAXEPYEPCV-IIAWOOMASA-N 2 0 369.962 3.212 20 0 FGADRP COc1sc(C[NH2+]C[C@H](C)Cn2ccnc2C)cc1Br ZINC000121287323 494683002 /nfs/dbraw/zinc/68/30/02/494683002.db2.gz GGHDZMYRXOQLQU-JTQLQIEISA-N 2 0 358.305 3.450 20 0 FGADRP CC[NH+](CC)CCCNC(=O)C1CC[NH+](Cc2ccc(C)c(F)c2)CC1 ZINC000576692439 505571680 /nfs/dbraw/zinc/57/16/80/505571680.db2.gz FFOVIHWMQIEBHQ-UHFFFAOYSA-N 2 0 363.521 3.194 20 0 FGADRP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2cccc(NS(C)(=O)=O)c2)C1 ZINC000540147684 503690439 /nfs/dbraw/zinc/69/04/39/503690439.db2.gz ORCBSOHUANVYMH-IRXDYDNUSA-N 2 0 367.559 3.077 20 0 FGADRP O=C(CC[NH2+]C1CCN(Cc2ccccn2)CC1)Nc1cccc(Cl)c1 ZINC000579579260 505579366 /nfs/dbraw/zinc/57/93/66/505579366.db2.gz OQWBKJRBVNQJEL-UHFFFAOYSA-N 2 0 372.900 3.318 20 0 FGADRP O[C@@H](C[NH2+]C1CC[NH+](C2CCC2)CC1)COc1c(Cl)cccc1Cl ZINC000579583814 505580382 /nfs/dbraw/zinc/58/03/82/505580382.db2.gz NCGWZNMAQAOUPB-HNNXBMFYSA-N 2 0 373.324 3.340 20 0 FGADRP C[C@@H]1C[C@H](NC(=O)Nc2ccc3c(c2)C[NH2+]C3)C[N@@H+]1Cc1ccccc1 ZINC000570910001 505609502 /nfs/dbraw/zinc/60/95/02/505609502.db2.gz VYSTUIKJRDTDFI-QRWLVFNGSA-N 2 0 350.466 3.074 20 0 FGADRP CC(C)[N@H+](C)CC1CCN(C(=O)N[C@@H](C)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000576898306 505619442 /nfs/dbraw/zinc/61/94/42/505619442.db2.gz DSRDGSRZLMKASB-RXVVDRJESA-N 2 0 374.573 3.440 20 0 FGADRP CN(C(=O)Nc1cccc2c1CC[NH2+]C2)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000576925930 505626575 /nfs/dbraw/zinc/62/65/75/505626575.db2.gz WYVNIVNCLMOVOH-IBGZPJMESA-N 2 0 364.493 3.071 20 0 FGADRP Brc1ccc(-c2nc(CN3CC[C@@H]4C[NH2+]C[C@H]4C3)co2)cc1 ZINC000579834190 505629142 /nfs/dbraw/zinc/62/91/42/505629142.db2.gz PVBWLFRMWDTSLB-KGLIPLIRSA-N 2 0 362.271 3.145 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1ncc(C(F)(F)F)s1 ZINC000577026806 505647388 /nfs/dbraw/zinc/64/73/88/505647388.db2.gz YZDCJRVWZKHASB-ZDUSSCGKSA-N 2 0 364.481 3.010 20 0 FGADRP CC(C)[C@H](C(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1)[C@H](C)[NH3+] ZINC000579948814 505651195 /nfs/dbraw/zinc/65/11/95/505651195.db2.gz ZYAOQBZMGCNRTG-KXBFYZLASA-N 2 0 365.949 3.288 20 0 FGADRP C[C@H]([NH2+]CCCC[NH+]1CCN(c2ccccc2)CC1)c1ccncc1F ZINC000579985066 505656856 /nfs/dbraw/zinc/65/68/56/505656856.db2.gz YAPPUKOEWZVQEG-SFHVURJKSA-N 2 0 356.489 3.474 20 0 FGADRP Cc1ccccc1NC(=O)Cc1nc(CN2CC[C@H](C)[C@@H](C[NH3+])C2)cs1 ZINC000580080242 505674104 /nfs/dbraw/zinc/67/41/04/505674104.db2.gz AJCFVFOXMAAXCV-HOCLYGCPSA-N 2 0 372.538 3.049 20 0 FGADRP Cc1c(C[NH2+]CCCN2CCC[C@@H]2C(N)=O)sc2c1cccc2Cl ZINC000580102248 505677225 /nfs/dbraw/zinc/67/72/25/505677225.db2.gz CDVSFCIJMXPSHP-OAHLLOKOSA-N 2 0 365.930 3.293 20 0 FGADRP C[C@@H](c1ccc(F)cc1)N(C)C(=O)C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000047971753 493767892 /nfs/dbraw/zinc/76/78/92/493767892.db2.gz JROUCFBJGKZOJD-KRWDZBQOSA-N 2 0 361.505 3.153 20 0 FGADRP Cc1ccc([C@@H](CNC(=O)N2CCC[N@@H+](C(C)(C)C)CC2)[NH+](C)C)cc1 ZINC000057631019 493780480 /nfs/dbraw/zinc/78/04/80/493780480.db2.gz RNNHVTHAMQDZPC-LJQANCHMSA-N 2 0 360.546 3.114 20 0 FGADRP C[N@@H+](CCC(=O)NCc1ccccc1Cl)CC[C@@H]1CCCC[NH+]1C ZINC000075860782 493786835 /nfs/dbraw/zinc/78/68/35/493786835.db2.gz QABLTVJYJHOEFR-KRWDZBQOSA-N 2 0 351.922 3.153 20 0 FGADRP CC[NH+](CC)C[C@H]1CC[N@H+](CCC(=O)Nc2cc(Cl)ccc2OC)C1 ZINC000076003049 493807769 /nfs/dbraw/zinc/80/77/69/493807769.db2.gz RPASNPOGEAYKMR-OAHLLOKOSA-N 2 0 367.921 3.341 20 0 FGADRP Cc1cccc(OC[C@@H](O)C[N@@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)c1 ZINC000076109794 493824133 /nfs/dbraw/zinc/82/41/33/493824133.db2.gz OPBIWDFXXUNCRQ-VXKWHMMOSA-N 2 0 368.521 3.189 20 0 FGADRP CCC[N@H+](C)C[C@@H]1CC[NH+](CCC(=O)Nc2cc(Cl)ccc2OC)C1 ZINC000081569786 493919189 /nfs/dbraw/zinc/91/91/89/493919189.db2.gz SNHSTVWISQTIRQ-HNNXBMFYSA-N 2 0 367.921 3.341 20 0 FGADRP CC[NH+](CC)CCNC(=O)NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000060894282 493957450 /nfs/dbraw/zinc/95/74/50/493957450.db2.gz QGPDAAZORCGZAR-GOSISDBHSA-N 2 0 360.546 3.202 20 0 FGADRP CC[NH+](CC)CCNC(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000060894281 493957521 /nfs/dbraw/zinc/95/75/21/493957521.db2.gz ADTLSXVZFBUNDG-UHFFFAOYSA-N 2 0 360.546 3.060 20 0 FGADRP Cc1ccc([C@H](CNC(=O)NC[C@H]2CC[N@@H+](C(C)C)C2)[NH+]2CCCC2)cc1 ZINC000061786408 493994632 /nfs/dbraw/zinc/99/46/32/493994632.db2.gz MJBSHQZUABIRON-CTNGQTDRSA-N 2 0 372.557 3.161 20 0 FGADRP CC[N@H+](C)Cc1cccc(CNC(=O)NCCCC[NH+]2CCC(C)CC2)c1 ZINC000061864449 493997215 /nfs/dbraw/zinc/99/72/15/493997215.db2.gz RIAIGBFXILSACU-UHFFFAOYSA-N 2 0 374.573 3.450 20 0 FGADRP CC[N@H+](C)Cc1cccc(CNC(=O)NC[C@@H](c2cccs2)[NH+](C)C)c1 ZINC000062473392 494014120 /nfs/dbraw/zinc/01/41/20/494014120.db2.gz XRFUEHXOALKUPJ-SFHVURJKSA-N 2 0 374.554 3.302 20 0 FGADRP CC[NH+](CC)Cc1ccccc1CNC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000085358571 494116910 /nfs/dbraw/zinc/11/69/10/494116910.db2.gz KHKVKDSTEFSRBH-KRWDZBQOSA-N 2 0 362.562 3.304 20 0 FGADRP C[C@@H](NC(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1)C(C)(C)C[NH+](C)C ZINC000085418361 494123902 /nfs/dbraw/zinc/12/39/02/494123902.db2.gz USIKSMJCTHTUIK-GOSISDBHSA-N 2 0 374.573 3.269 20 0 FGADRP C[C@H](NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1cccc2ccccc21 ZINC000077754308 494168540 /nfs/dbraw/zinc/16/85/40/494168540.db2.gz IPZRICIQGATPKK-KRWDZBQOSA-N 2 0 356.514 3.036 20 0 FGADRP Cc1ccc([C@H](CNC(=O)NCC2([NH+](C)C)CCCCC2)[NH+](C)C)cc1 ZINC000065470350 494201568 /nfs/dbraw/zinc/20/15/68/494201568.db2.gz ISJDTONSPQDBFX-IBGZPJMESA-N 2 0 360.546 3.161 20 0 FGADRP Cc1ccc([C@H](CNC(=O)NC[C@H](C)[N@@H+]2CCCC[C@@H]2C)[NH+](C)C)cc1 ZINC000065469758 494201758 /nfs/dbraw/zinc/20/17/58/494201758.db2.gz WYZPCNRGTWDRIE-BJLQDIEVSA-N 2 0 360.546 3.160 20 0 FGADRP CC(C)CN(CC[NH+](C)C)C(=O)N[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000054720611 494264620 /nfs/dbraw/zinc/26/46/20/494264620.db2.gz HFINYXIQPIBQCT-ICSRJNTNSA-N 2 0 360.546 3.051 20 0 FGADRP C[C@H]1CCC[N@H+](CCCCNC(=O)N[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000043239805 494278949 /nfs/dbraw/zinc/27/89/49/494278949.db2.gz LHTZGGZSWOQVIH-PZJWPPBQSA-N 2 0 372.557 3.072 20 0 FGADRP C[C@H](CC[NH+](C)C)NC(=O)N(C)C1CC[NH+](C2CCC(C)CC2)CC1 ZINC000066191107 494286676 /nfs/dbraw/zinc/28/66/76/494286676.db2.gz ZSSGPMRVQZOEJD-TVRKMHQQSA-N 2 0 352.567 3.011 20 0 FGADRP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+]([C@H]3CCN(c4ccc(Cl)c(Cl)c4)C3=O)C[C@H]21 ZINC000568512108 505713012 /nfs/dbraw/zinc/71/30/12/505713012.db2.gz FXPGKAWOLMONGM-ZPUIDXCVSA-N 2 0 368.308 3.158 20 0 FGADRP C[C@H]1CCCC[N@@H+]1CCCNC(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000043860614 494325813 /nfs/dbraw/zinc/32/58/13/494325813.db2.gz IKFNBWOEVNYHDV-IBGZPJMESA-N 2 0 372.557 3.346 20 0 FGADRP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)NCCC2CC[NH+](C)CC2)C1 ZINC000073214536 494339596 /nfs/dbraw/zinc/33/95/96/494339596.db2.gz NPXMDFNFIQYOPI-ICSRJNTNSA-N 2 0 364.578 3.014 20 0 FGADRP C[C@@H]1CCC[C@@H](C)[NH+]1CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000066531437 494351183 /nfs/dbraw/zinc/35/11/83/494351183.db2.gz FUKNXXRLZSOUEX-IAGOWNOFSA-N 2 0 361.555 3.437 20 0 FGADRP CC(C)C[NH+]1CCC(NC(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)CC1 ZINC000079097333 494403326 /nfs/dbraw/zinc/40/33/26/494403326.db2.gz DEZYJVSTOLEYQJ-OAQYLSRUSA-N 2 0 372.557 3.243 20 0 FGADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)NC[C@@H](C(C)C)[NH+]2CCC(C)CC2)C1 ZINC000073651796 494408033 /nfs/dbraw/zinc/40/80/33/494408033.db2.gz BXVOPBWGJKNYBH-PMACEKPBSA-N 2 0 366.594 3.116 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000079267291 494427582 /nfs/dbraw/zinc/42/75/82/494427582.db2.gz XYNJSJVZUYHUOT-AEFFLSMTSA-N 2 0 366.575 3.305 20 0 FGADRP Cc1ccc([C@@H](C)[NH2+]Cc2ccc(C(=O)NCC[NH+](C)C)cc2)c(C)c1 ZINC000090038530 494431296 /nfs/dbraw/zinc/43/12/96/494431296.db2.gz LTWGLUQTJXMUES-GOSISDBHSA-N 2 0 353.510 3.446 20 0 FGADRP CSC1(C[NH2+][C@H](C)c2cccc(OCC[NH+](C)C)c2)CCOCC1 ZINC000090113001 494444263 /nfs/dbraw/zinc/44/42/63/494444263.db2.gz MYLQLYSJYHMVRR-MRXNPFEDSA-N 2 0 352.544 3.190 20 0 FGADRP CC[N@H+](C)Cc1cccc(CNC(=O)N(C)CC[C@@H]2CCCC[NH+]2C)c1 ZINC000073918081 494448082 /nfs/dbraw/zinc/44/80/82/494448082.db2.gz BKKGDHLMXBNPFR-FQEVSTJZSA-N 2 0 360.546 3.154 20 0 FGADRP C[NH+]1CCN(C(C)(C)C[NH2+]Cc2cc(Cl)ccc2Br)CC1 ZINC000090249636 494458325 /nfs/dbraw/zinc/45/83/25/494458325.db2.gz YYJIWRLAKJKEMT-UHFFFAOYSA-N 2 0 374.754 3.218 20 0 FGADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)NCC[NH+]1CCC[C@H](C)C1 ZINC000045789885 494463386 /nfs/dbraw/zinc/46/33/86/494463386.db2.gz OKCYFCOYIJACNX-SFHVURJKSA-N 2 0 360.546 3.058 20 0 FGADRP C[C@@H](CNC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)[N@@H+]1CCc2ccccc2C1 ZINC000045866583 494471176 /nfs/dbraw/zinc/47/11/76/494471176.db2.gz IZZYNTNZEIBENK-INIZCTEOSA-N 2 0 372.557 3.042 20 0 FGADRP COc1ccc([C@H](C)[NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)cc1OC ZINC000090522584 494477228 /nfs/dbraw/zinc/47/72/28/494477228.db2.gz XNXJQTMHZPCMCP-SNRMKQJTSA-N 2 0 362.514 3.122 20 0 FGADRP C[NH+](C)CCC1CCN(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)CC1 ZINC000079554667 494479237 /nfs/dbraw/zinc/47/92/37/494479237.db2.gz PJNAEKHZSKMDMR-NRFANRHFSA-N 2 0 372.557 3.197 20 0 FGADRP C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)N2CCC(CC[NH+](C)C)CC2)C1 ZINC000079613321 494493184 /nfs/dbraw/zinc/49/31/84/494493184.db2.gz DLURXNIVOQVNAU-OALUTQOASA-N 2 0 366.594 3.118 20 0 FGADRP C[NH+](C)[C@@H](CNC(=O)NC[C@H](c1ccsc1)[NH+](C)C)C1CCCCC1 ZINC000046313908 494515398 /nfs/dbraw/zinc/51/53/98/494515398.db2.gz MEYPHRLPCCSFFR-ZWKOTPCHSA-N 2 0 366.575 3.161 20 0 FGADRP Cc1c[nH+]ccc1N1CCC(C(=O)NCCC[NH+](C(C)C)C(C)C)CC1 ZINC000074337743 494521776 /nfs/dbraw/zinc/52/17/76/494521776.db2.gz MSWVKXNRBPLUGK-UHFFFAOYSA-N 2 0 360.546 3.232 20 0 FGADRP CC[N@H+](CCNC(=O)N1CCC(C[NH+](C)Cc2ccccc2)CC1)C1CC1 ZINC000067420041 494537739 /nfs/dbraw/zinc/53/77/39/494537739.db2.gz RQGOTHUNJBNUHO-UHFFFAOYSA-N 2 0 372.557 3.024 20 0 FGADRP CCCC[N@H+](C)CC1CCN(C(=O)NCC(C)(C)[NH+]2CCCCC2)CC1 ZINC000079857301 494537754 /nfs/dbraw/zinc/53/77/54/494537754.db2.gz KOTJBHLDRQXEOS-UHFFFAOYSA-N 2 0 366.594 3.404 20 0 FGADRP CN(C(=O)c1cccc(C[NH+](C)C)c1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000074447016 494538213 /nfs/dbraw/zinc/53/82/13/494538213.db2.gz POWNMGMUNZSLGB-QFIPXVFZSA-N 2 0 365.521 3.485 20 0 FGADRP Cc1nn(-c2cccc(F)c2)cc1C[NH+]1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000580297498 505726666 /nfs/dbraw/zinc/72/66/66/505726666.db2.gz IFJPKXIAFDFQQR-PZJWPPBQSA-N 2 0 372.488 3.038 20 0 FGADRP COc1ccc([C@@H]([NH2+]Cc2ccnc(N3CC[NH+](C)CC3)c2)C2CC2)cc1 ZINC000091286934 494578334 /nfs/dbraw/zinc/57/83/34/494578334.db2.gz GTHSOFLFPPRTCF-QFIPXVFZSA-N 2 0 366.509 3.083 20 0 FGADRP C[C@H](C[NH2+][C@@H]1CCc2ccc(OC(F)(F)F)cc21)CN1CC[NH+](C)CC1 ZINC000121088049 494588273 /nfs/dbraw/zinc/58/82/73/494588273.db2.gz IPVIHFMUSIEKEA-RDTXWAMCSA-N 2 0 371.447 3.046 20 0 FGADRP CN1CCO[C@H]([C@@H]([NH2+]CCC2CC[NH+](C)CC2)c2ccc(Cl)cc2)C1 ZINC000131391278 494602538 /nfs/dbraw/zinc/60/25/38/494602538.db2.gz KDGLQKWIMLUKRP-PMACEKPBSA-N 2 0 365.949 3.033 20 0 FGADRP C[C@@H]([NH2+]Cc1ccnc(N2CCCC2)c1)c1cccc(OCC[NH+](C)C)c1 ZINC000131407836 494608123 /nfs/dbraw/zinc/60/81/23/494608123.db2.gz FIBIXVWEOVQBKJ-GOSISDBHSA-N 2 0 368.525 3.473 20 0 FGADRP CC1CC[NH+](CCCCNC(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)CC1 ZINC000107833752 494609345 /nfs/dbraw/zinc/60/93/45/494609345.db2.gz OENGGHZZYBGRHP-FQEVSTJZSA-N 2 0 364.578 3.158 20 0 FGADRP C[NH+](C)CCOc1ccc(CN[C@H](c2ncc[nH]2)c2ccccc2)cc1 ZINC000126029084 494611822 /nfs/dbraw/zinc/61/18/22/494611822.db2.gz QFVQCMJVZKXTCY-FQEVSTJZSA-N 2 0 350.466 3.229 20 0 FGADRP Cc1ccc([C@H](CNC(=O)NC2CC[NH+](CC(C)C)CC2)[NH+](C)C)cc1 ZINC000067704093 494617537 /nfs/dbraw/zinc/61/75/37/494617537.db2.gz WZDICCFTVGFRJD-FQEVSTJZSA-N 2 0 360.546 3.017 20 0 FGADRP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000115789997 494623934 /nfs/dbraw/zinc/62/39/34/494623934.db2.gz JEOATQAVSNFVJP-LJQANCHMSA-N 2 0 372.557 3.156 20 0 FGADRP C[C@H](CNC(=O)N(C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1)C[NH+]1CCCC1 ZINC000074856586 494625191 /nfs/dbraw/zinc/62/51/91/494625191.db2.gz OAGFPFSDZWMQFI-TZIWHRDSSA-N 2 0 372.557 3.024 20 0 FGADRP C[C@H]1CCCC[N@@H+]1CCNC(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000067773242 494643692 /nfs/dbraw/zinc/64/36/92/494643692.db2.gz POCLACBOANKHFD-IBGZPJMESA-N 2 0 372.557 3.072 20 0 FGADRP COCC[N@H+](C)CCCC1CC[NH+](C[C@H]2CCCCN2C(C)C)CC1 ZINC000580338178 505735722 /nfs/dbraw/zinc/73/57/22/505735722.db2.gz MLGVIDDEWYLRBD-OAQYLSRUSA-N 2 0 353.595 3.320 20 0 FGADRP C[C@@H]1C[NH+](CCCC[NH2+]C2CCC(C(=O)OC(C)(C)C)CC2)C[C@@H](C)O1 ZINC000092564293 494671003 /nfs/dbraw/zinc/67/10/03/494671003.db2.gz PVUVFXZGRKROEE-YYZRRKBYSA-N 2 0 368.562 3.366 20 0 FGADRP CC[NH+](CC)CCOC1CC[NH+](Cc2ccc(-n3cccn3)cc2)CC1 ZINC000075007911 494671872 /nfs/dbraw/zinc/67/18/72/494671872.db2.gz NVTBKSLOKQXKFV-UHFFFAOYSA-N 2 0 356.514 3.195 20 0 FGADRP CCCn1nc(C)c(C[NH+]2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c1C ZINC000092587033 494678402 /nfs/dbraw/zinc/67/84/02/494678402.db2.gz IYVOYYOERBFRLJ-CALCHBBNSA-N 2 0 362.562 3.231 20 0 FGADRP CC[NH+]1CCN(Cc2ccc(C[NH2+][C@H](C)c3ccc(F)cn3)cc2)CC1 ZINC000092739569 494733205 /nfs/dbraw/zinc/73/32/05/494733205.db2.gz QQSHHFYSALFWOU-QGZVFWFLSA-N 2 0 356.489 3.209 20 0 FGADRP COc1cccc(C[C@@H]([NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)C2CC2)c1 ZINC000121396065 494736764 /nfs/dbraw/zinc/73/67/64/494736764.db2.gz NMLBFBSBLYFOFJ-XMSQKQJNSA-N 2 0 358.526 3.107 20 0 FGADRP CCC[NH+](CCC)CCCNC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000126455020 494755896 /nfs/dbraw/zinc/75/58/96/494755896.db2.gz OCNCLUVSYOPGKG-AZUAARDMSA-N 2 0 364.578 3.157 20 0 FGADRP C[C@@H](C(=O)NC1CCCC1)[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821125 494763004 /nfs/dbraw/zinc/76/30/04/494763004.db2.gz JRLKDENHUQRLSJ-KRWDZBQOSA-N 2 0 358.530 3.067 20 0 FGADRP C[C@H]1CCCN1C(=O)CC[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821043 494764363 /nfs/dbraw/zinc/76/43/63/494764363.db2.gz NBLOTFBOFZMVNK-SFHVURJKSA-N 2 0 358.530 3.021 20 0 FGADRP C[NH+](C)CC[C@@H](NC(=O)NC1CC[NH+](Cc2ccccc2)CC1)C(C)(C)C ZINC000116410409 494777950 /nfs/dbraw/zinc/77/79/50/494777950.db2.gz KHVRJCMOAVZGDJ-HXUWFJFHSA-N 2 0 374.573 3.317 20 0 FGADRP CC[C@@H](C)[N@H+](C)CCNC(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000116433855 494785018 /nfs/dbraw/zinc/78/50/18/494785018.db2.gz AMEHTUXWNLMLSR-MSOLQXFVSA-N 2 0 360.546 3.242 20 0 FGADRP C[NH+](C)Cc1cccc(CNC(=O)NCCC[N@H+](C)C2CCCCC2)c1 ZINC000075565459 494796504 /nfs/dbraw/zinc/79/65/04/494796504.db2.gz ABPZQEHPKLZTQM-UHFFFAOYSA-N 2 0 360.546 3.202 20 0 FGADRP COc1ccc([C@@H](C)[NH2+]Cc2ccc(CN3CC[NH+](C)CC3)cc2)cc1 ZINC000126733889 494828177 /nfs/dbraw/zinc/82/81/77/494828177.db2.gz NINIOWONQMADLR-GOSISDBHSA-N 2 0 353.510 3.293 20 0 FGADRP CC(C)C[C@H](C[NH2+]C1CC[NH+](CCc2ccccc2)CC1)N1CCOCC1 ZINC000121718862 494844889 /nfs/dbraw/zinc/84/48/89/494844889.db2.gz SURXFOAMYLIGNO-HSZRJFAPSA-N 2 0 373.585 3.030 20 0 FGADRP C[N@@H+](Cc1ccc(-n2cncn2)cc1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000093336976 494872463 /nfs/dbraw/zinc/87/24/63/494872463.db2.gz COSUOWOBZIWHHM-NRFANRHFSA-N 2 0 361.493 3.221 20 0 FGADRP CC[NH+](CC)[C@H]1CCN(Cc2ccccc2N(C)C2CC[NH+](C)CC2)C1 ZINC000127360018 494932808 /nfs/dbraw/zinc/93/28/08/494932808.db2.gz DFZAHIBNKNYZHO-NRFANRHFSA-N 2 0 358.574 3.133 20 0 FGADRP CC[C@@H](CNCc1ccccc1N(C)C1CC[NH+](C)CC1)[NH+]1CCCC1 ZINC000132941332 494946109 /nfs/dbraw/zinc/94/61/09/494946109.db2.gz NQANUHUTJYEHEI-FQEVSTJZSA-N 2 0 358.574 3.181 20 0 FGADRP CC(C)c1cccc2c1OCCC[C@@H]2[NH2+]C[C@H](C)CN1CC[NH+](C)CC1 ZINC000122250626 494947480 /nfs/dbraw/zinc/94/74/80/494947480.db2.gz YWNKWXZUEGUHPL-RXVVDRJESA-N 2 0 359.558 3.497 20 0 FGADRP C[C@H](C[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1)C[NH+]1CCCC1 ZINC000133098937 494968884 /nfs/dbraw/zinc/96/88/84/494968884.db2.gz PZKSYNWGDGZFSP-LJQANCHMSA-N 3 0 358.574 3.039 20 0 FGADRP COc1ccc([C@@H](C)[NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)cc1O ZINC000577564361 505752852 /nfs/dbraw/zinc/75/28/52/505752852.db2.gz BYJHURQZYWKNCA-MRXNPFEDSA-N 2 0 370.493 3.208 20 0 FGADRP CC[C@H]([NH2+]C[C@@H](C)N1CC[NH+](C)CC1)c1ccccc1Br ZINC000127858604 495008803 /nfs/dbraw/zinc/00/88/03/495008803.db2.gz FQVFOSOPUKHRGA-PBHICJAKSA-N 2 0 354.336 3.126 20 0 FGADRP C[C@@H]([NH3+])[C@@H]1CC[N@H+](Cc2cn(Cc3ccccc3)nc2-c2cccnc2)C1 ZINC000097102804 495023302 /nfs/dbraw/zinc/02/33/02/495023302.db2.gz BXELFMDGJJUYMT-YLJYHZDGSA-N 2 0 361.493 3.163 20 0 FGADRP CC(C)(CNC(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1)[NH+]1CCCCC1 ZINC000097357632 495032460 /nfs/dbraw/zinc/03/24/60/495032460.db2.gz QYXBJRNGPZAUPW-HXUWFJFHSA-N 2 0 372.557 3.387 20 0 FGADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NC[C@H]1CCCC[N@@H+]1CC ZINC000111511791 495083539 /nfs/dbraw/zinc/08/35/39/495083539.db2.gz YCZTXYRRUXBGJJ-HXUWFJFHSA-N 2 0 360.546 3.154 20 0 FGADRP Cc1ccc([C@@H](CNC(=O)N2CCC([NH2+]C(C)C)CC2)[NH+]2CCCC2)cc1 ZINC000111845622 495119585 /nfs/dbraw/zinc/11/95/85/495119585.db2.gz MDZWABNMNICZSZ-OAQYLSRUSA-N 2 0 372.557 3.304 20 0 FGADRP COCC1CC[NH+](Cc2ccccc2C[NH+]2CCC(COC)CC2)CC1 ZINC000112352388 495178961 /nfs/dbraw/zinc/17/89/61/495178961.db2.gz JKGFWHMEKPEMDY-UHFFFAOYSA-N 2 0 360.542 3.403 20 0 FGADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1ccc(Cn2ccnc2)cc1 ZINC000119561519 495190760 /nfs/dbraw/zinc/19/07/60/495190760.db2.gz KXZRIGTYFQFXOJ-AVRDEDQJSA-N 2 0 374.488 3.182 20 0 FGADRP C[NH+](C)CCCOc1ccc(CNC(=O)c2ccc(C[NH+](C)C)cc2)cc1 ZINC000103125910 495195243 /nfs/dbraw/zinc/19/52/43/495195243.db2.gz UOWMXLIRZAFOBP-UHFFFAOYSA-N 2 0 369.509 3.009 20 0 FGADRP C[N@@H+](Cc1cccc(I)c1)C[C@@H]1CCC[NH+](C)C1 ZINC000571587456 505766802 /nfs/dbraw/zinc/76/68/02/505766802.db2.gz MPSXGGLHOCTFGO-CQSZACIVSA-N 2 0 358.267 3.065 20 0 FGADRP C[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)c1ccc(F)c(Cl)c1 ZINC000112519848 495199604 /nfs/dbraw/zinc/19/96/04/495199604.db2.gz RKYXMCFLPLYCBW-AWEZNQCLSA-N 2 0 362.880 3.477 20 0 FGADRP C[C@@H]1C[C@@H]1[N@@H+]1CCN(C(=O)c2ccc(C[NH+]3CCCC3)cc2)C[C@@H](C)C1 ZINC000571590873 505767533 /nfs/dbraw/zinc/76/75/33/505767533.db2.gz CVIWOWHGNKHDEY-UEXGIBASSA-N 2 0 355.526 3.085 20 0 FGADRP CC(C)[NH+](CCCNC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)C(C)C ZINC000129302435 495224946 /nfs/dbraw/zinc/22/49/46/495224946.db2.gz ZOEHOHPKYYGFQL-UYAOXDASSA-N 2 0 364.578 3.154 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@@H]2CCC[NH+]2Cc2ccccc2)[C@H](C)C1 ZINC000129320155 495228007 /nfs/dbraw/zinc/22/80/07/495228007.db2.gz WPGDUCOQZKDVNZ-GIVPXCGWSA-N 2 0 372.557 3.023 20 0 FGADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N(C)CC[NH+]2CCCC2)cc1 ZINC000112742435 495233906 /nfs/dbraw/zinc/23/39/06/495233906.db2.gz VWWXBISESKHBNV-IBGZPJMESA-N 2 0 372.557 3.298 20 0 FGADRP C[NH+](C)CCC1CC[NH+](C[C@H](O)c2ccc(Br)cc2)CC1 ZINC000103555100 495246683 /nfs/dbraw/zinc/24/66/83/495246683.db2.gz OIEVQJDRGMXOLH-KRWDZBQOSA-N 2 0 355.320 3.146 20 0 FGADRP C[C@@H]([NH2+][C@H]1COc2ccc(F)cc2C1)c1cccc(OCC[NH+](C)C)c1 ZINC000577655682 505770713 /nfs/dbraw/zinc/77/07/13/505770713.db2.gz VFOZCXNVCMVSFT-DNVCBOLYSA-N 2 0 358.457 3.420 20 0 FGADRP C[C@@H]([NH2+][C@@H]1COc2ccc(F)cc2C1)c1cccc(OCC[NH+](C)C)c1 ZINC000577655681 505771195 /nfs/dbraw/zinc/77/11/95/505771195.db2.gz VFOZCXNVCMVSFT-BEFAXECRSA-N 2 0 358.457 3.420 20 0 FGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC(C[NH+](C)Cc2ccccc2)CC1 ZINC000104392017 495282155 /nfs/dbraw/zinc/28/21/55/495282155.db2.gz UJMQXQRIGYOKBC-OAQYLSRUSA-N 2 0 357.542 3.231 20 0 FGADRP C[NH+](C)C[C@H]1CCN(C(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)C1 ZINC000129776547 495294610 /nfs/dbraw/zinc/29/46/10/495294610.db2.gz CAIAZOQWENTNIR-OAQYLSRUSA-N 2 0 372.557 3.156 20 0 FGADRP C[C@H]1CCN(C(=O)Nc2cccc(-c3nccn3C)c2)C[C@H]1n1ccnc1 ZINC000129836405 495302396 /nfs/dbraw/zinc/30/23/96/495302396.db2.gz WGWJNTSUDKDUSJ-MAUKXSAKSA-N 2 0 364.453 3.399 20 0 FGADRP CCC(CC)(CNC(=O)N1CC[C@@H](C[NH+](C)C)C1)[NH2+][C@H](C)c1ccccc1 ZINC000129993991 495325684 /nfs/dbraw/zinc/32/56/84/495325684.db2.gz IFALLXDOFFUFPN-MOPGFXCFSA-N 2 0 374.573 3.489 20 0 FGADRP COc1cc(Br)ccc1CCC[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000130053331 495333844 /nfs/dbraw/zinc/33/38/44/495333844.db2.gz XNSIWKAMMKILME-CQSZACIVSA-N 2 0 355.320 3.274 20 0 FGADRP CC1CC[NH+](CCCCNC(=O)N2CCC[C@H]2C[NH+]2CCCCC2)CC1 ZINC000105133885 495339670 /nfs/dbraw/zinc/33/96/70/495339670.db2.gz HZXSBPINGAGTCK-FQEVSTJZSA-N 2 0 364.578 3.158 20 0 FGADRP C[C@@H](C[NH2+]Cc1ccc(-c2nc3ccccc3s2)o1)N1CC[NH+](C)CC1 ZINC000105466117 495365401 /nfs/dbraw/zinc/36/54/01/495365401.db2.gz QKFVAVAQPUUZEY-HNNXBMFYSA-N 2 0 370.522 3.282 20 0 FGADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000136749320 495399734 /nfs/dbraw/zinc/39/97/34/495399734.db2.gz PHUIPEOOYXREOS-RTWAWAEBSA-N 2 0 372.557 3.153 20 0 FGADRP CCC[N@@H+]1CC[C@@H](CNC(=O)NC[C@@H](c2ccc(C)cc2)[NH+]2CCCC2)C1 ZINC000130611354 495419374 /nfs/dbraw/zinc/41/93/74/495419374.db2.gz JLXUFHILYOPMET-FPOVZHCZSA-N 2 0 372.557 3.163 20 0 FGADRP CCCC[NH+]1CCC(NC(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000114827516 495431937 /nfs/dbraw/zinc/43/19/37/495431937.db2.gz ZLBBPLFWWAJUPL-OAQYLSRUSA-N 2 0 372.557 3.215 20 0 FGADRP CCn1cc([C@H](C)[NH2+]CC2CC[NH+](Cc3ccc(OC)cc3)CC2)cn1 ZINC000120680109 495433887 /nfs/dbraw/zinc/43/38/87/495433887.db2.gz LAMYHDFUIWMSRG-KRWDZBQOSA-N 2 0 356.514 3.474 20 0 FGADRP C[NH+](C)CC1CCC(NC(=O)NCCC[N@H+](C)C2CCCCC2)CC1 ZINC000137546620 495444688 /nfs/dbraw/zinc/44/46/88/495444688.db2.gz BGGZJRVEIFTFGV-UHFFFAOYSA-N 2 0 352.567 3.061 20 0 FGADRP Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+]C[C@H](C)CN1CC[NH+](C)CC1 ZINC000120958969 495492532 /nfs/dbraw/zinc/49/25/32/495492532.db2.gz INQXTNZCUKHFKI-HOTGVXAUSA-N 2 0 373.570 3.048 20 0 FGADRP CC(C)[N@H+](C)CC(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000106829264 495499401 /nfs/dbraw/zinc/49/94/01/495499401.db2.gz HIJSJXZQWPKGKE-UHFFFAOYSA-N 2 0 351.922 3.008 20 0 FGADRP C[N@@H+]1CCC[C@@H]2C[NH+](CC3CCN(C(=O)OC(C)(C)C)CC3)CC[C@@H]21 ZINC000158695146 495569932 /nfs/dbraw/zinc/56/99/32/495569932.db2.gz HEEFJBAPYDYUSS-MSOLQXFVSA-N 2 0 351.535 3.050 20 0 FGADRP CCC[C@H](C(=O)Nc1cccc(NC(=O)CC[NH+]2CCCCC2)c1)[NH+](C)C ZINC000154294335 495572175 /nfs/dbraw/zinc/57/21/75/495572175.db2.gz NUHGIEIXNNLNCM-LJQANCHMSA-N 2 0 374.529 3.170 20 0 FGADRP Cc1cc(NC(=O)[C@@H]2CCCC[C@]2(C)[NH3+])cc(N2CC[NH+](C(C)C)CC2)c1 ZINC000574516960 505790530 /nfs/dbraw/zinc/79/05/30/505790530.db2.gz LHUYMTVZFFPWRX-UNMCSNQZSA-N 2 0 372.557 3.372 20 0 FGADRP O=C(C[N@@H+]1CCC[C@H]2CCC[C@@H]21)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000173561403 495588713 /nfs/dbraw/zinc/58/87/13/495588713.db2.gz SAIYCMKDUDJYGW-QUCCMNQESA-N 2 0 373.566 3.438 20 0 FGADRP C[N@@H+]1CC[C@@H](NC(=O)N2CCC[NH+](C3CCCC3)CC2)[C@@H]1c1ccccc1 ZINC000179474795 495605909 /nfs/dbraw/zinc/60/59/09/495605909.db2.gz LCPSMYLBQVKGAY-RTWAWAEBSA-N 2 0 370.541 3.092 20 0 FGADRP Cc1nc(-c2cccnc2)sc1[C@H](C)NC[C@H](O)C[NH+]1CCC(C)CC1 ZINC000158945485 495621781 /nfs/dbraw/zinc/62/17/81/495621781.db2.gz UHBOWKXNMUUFEF-YJBOKZPZSA-N 2 0 374.554 3.257 20 0 FGADRP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@@H]2CCN(c3ncc(C(F)(F)F)cc3Cl)C2)C1 ZINC000574531124 505794386 /nfs/dbraw/zinc/79/43/86/505794386.db2.gz LYKPTXKYRFSVML-JHJVBQTASA-N 2 0 362.827 3.192 20 0 FGADRP C[C@@H]1CCc2c(F)cccc2[C@@H]1[NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000159128495 495665299 /nfs/dbraw/zinc/66/52/99/495665299.db2.gz SYBQUUUWMQEYQU-OPAMFIHVSA-N 2 0 368.500 3.386 20 0 FGADRP C[NH+]1CCN(c2cc(C[NH2+][C@H]3CC(C)(C)Cc4occc43)ccn2)CC1 ZINC000159150342 495670658 /nfs/dbraw/zinc/67/06/58/495670658.db2.gz XZXZENUZSYIANZ-SFHVURJKSA-N 2 0 354.498 3.230 20 0 FGADRP CC[C@@H]1[C@@H](C)CC[N@@H+]1CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000185674099 495673688 /nfs/dbraw/zinc/67/36/88/495673688.db2.gz NHUFSAYUFYLADB-GHTZIAJQSA-N 2 0 357.542 3.196 20 0 FGADRP CC(C)[NH+](CCCNC(=O)N1CCC([NH2+]C2CCCC2)CC1)C(C)C ZINC000150963442 495695576 /nfs/dbraw/zinc/69/55/76/495695576.db2.gz PFCBIIPMAFGSRT-UHFFFAOYSA-N 2 0 352.567 3.202 20 0 FGADRP CCC[NH+]1CCC(N(C)C(=O)NC[C@]2([NH+](C)C)CCC[C@H](C)C2)CC1 ZINC000171048265 495702083 /nfs/dbraw/zinc/70/20/83/495702083.db2.gz HWVFWNXGFRPKQY-PXNSSMCTSA-N 2 0 352.567 3.013 20 0 FGADRP C[C@@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1cccc(OC(F)(F)F)c1 ZINC000150999991 495707841 /nfs/dbraw/zinc/70/78/41/495707841.db2.gz SEHVDDSZHHTYIW-CQSZACIVSA-N 2 0 359.436 3.262 20 0 FGADRP C[C@H](C[NH+]1CCCCCC1)NC(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185789521 495726922 /nfs/dbraw/zinc/72/69/22/495726922.db2.gz JUJSAMATHLLCPU-CEXWTWQISA-N 2 0 364.578 3.203 20 0 FGADRP [NH3+]CCCOC1CC[NH+](Cc2cc(Cl)ccc2OCC2CC2)CC1 ZINC000568883251 505800100 /nfs/dbraw/zinc/80/01/00/505800100.db2.gz UVUBHPKZFRZCFE-UHFFFAOYSA-N 2 0 352.906 3.459 20 0 FGADRP Cc1ccncc1CCC[NH2+]CCCN1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000574559032 505801185 /nfs/dbraw/zinc/80/11/85/505801185.db2.gz QYYLZLIAKLXUIO-QHCPKHFHSA-N 2 0 366.553 3.291 20 0 FGADRP C[C@H]1C[NH+](CC2CC[NH+](Cc3cn(C)nc3C(C)(C)C)CC2)C[C@H](C)O1 ZINC000179884335 495770002 /nfs/dbraw/zinc/77/00/02/495770002.db2.gz KHYCGCYWIZYGGF-IRXDYDNUSA-N 2 0 362.562 3.039 20 0 FGADRP C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000580637202 505803083 /nfs/dbraw/zinc/80/30/83/505803083.db2.gz YESJCLGWTIPQCB-KNQAVFIVSA-N 2 0 370.585 3.276 20 0 FGADRP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)NCc1ccc(C[NH3+])cc1 ZINC000574569593 505804929 /nfs/dbraw/zinc/80/49/29/505804929.db2.gz WCZGGSCVYHGKIN-NRFANRHFSA-N 2 0 368.525 3.101 20 0 FGADRP C[C@H](C(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1)[C@H]([NH3+])c1ccccc1 ZINC000577847555 505804268 /nfs/dbraw/zinc/80/42/68/505804268.db2.gz VGSDTTQIRRXXTF-FIKGOQFSSA-N 2 0 366.509 3.059 20 0 FGADRP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]CCOC2CCCC2)CC1 ZINC000180107231 495861562 /nfs/dbraw/zinc/86/15/62/495861562.db2.gz HJEKHQQQJVTZIA-UHFFFAOYSA-N 2 0 351.922 3.141 20 0 FGADRP C[C@H](C[NH+]1CCCCCC1)NC(=O)N(CC[NH+](C)C)Cc1cccs1 ZINC000186117207 495861933 /nfs/dbraw/zinc/86/19/33/495861933.db2.gz IZCNQNVRFQVNKP-QGZVFWFLSA-N 2 0 366.575 3.086 20 0 FGADRP C[NH+](C)Cc1c2ccccc2oc1C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000174319483 495907477 /nfs/dbraw/zinc/90/74/77/495907477.db2.gz JQARDQCCCLNYSO-MRXNPFEDSA-N 2 0 355.482 3.052 20 0 FGADRP CN1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@@H]1c1ccc(Cl)cc1 ZINC000571773782 505812216 /nfs/dbraw/zinc/81/22/16/505812216.db2.gz BQXRBXBMOUQBJV-ROUUACIJSA-N 2 0 354.841 3.163 20 0 FGADRP C[C@H]1[C@H](NC(=O)Nc2ccc3c(c2)C[NH2+]C3)CC[N@@H+]1Cc1ccccc1 ZINC000571772384 505812450 /nfs/dbraw/zinc/81/24/50/505812450.db2.gz QKVDHYHFADAGFZ-MGPUTAFESA-N 2 0 350.466 3.074 20 0 FGADRP C[C@@H](C[NH2+][C@@H](Cc1cccnc1)c1ccc(Cl)cc1)N1CC[NH+](C)CC1 ZINC000568937604 505812621 /nfs/dbraw/zinc/81/26/21/505812621.db2.gz IZBYWZUCJAREII-UWJYYQICSA-N 2 0 372.944 3.244 20 0 FGADRP C[C@H]1C[NH+](CCCC[NH2+]Cc2c[nH]nc2-c2ccccc2F)C[C@H](C)O1 ZINC000151780353 495945118 /nfs/dbraw/zinc/94/51/18/495945118.db2.gz LUUHUOBMQSSUSZ-HOTGVXAUSA-N 2 0 360.477 3.195 20 0 FGADRP O=C(N[C@H](C[NH+]1CCCC1)c1ccccc1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000171622749 495953140 /nfs/dbraw/zinc/95/31/40/495953140.db2.gz YQJVSZSUZTXJKO-LEWJYISDSA-N 2 0 370.541 3.093 20 0 FGADRP CC[NH+]1CCN(c2ccc(NC(=O)C3CC[NH+](C(C)C)CC3)c(C)c2)CC1 ZINC000174435954 495958914 /nfs/dbraw/zinc/95/89/14/495958914.db2.gz OFENYJHXGIFAHE-UHFFFAOYSA-N 2 0 372.557 3.196 20 0 FGADRP c1cn(-c2ccc(CN3CCC[C@H](C[NH+]4CCCCCC4)C3)cn2)cn1 ZINC000177177564 495962426 /nfs/dbraw/zinc/96/24/26/495962426.db2.gz CAKOOWOGGWROLI-HXUWFJFHSA-N 2 0 353.514 3.355 20 0 FGADRP C[C@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+]C1CCN(CC(F)(F)F)CC1 ZINC000151844513 495966628 /nfs/dbraw/zinc/96/66/28/495966628.db2.gz FNDLVVIBZHSREC-YJBOKZPZSA-N 2 0 355.448 3.123 20 0 FGADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H](C)c2ccc(Br)cc2)CC1 ZINC000177216684 495982640 /nfs/dbraw/zinc/98/26/40/495982640.db2.gz ILNGEUAZYLDKBX-HUUCEWRRSA-N 2 0 354.336 3.126 20 0 FGADRP CCCC[NH+]1CCC([NH2+]C[C@@H](O)COc2cccc3ccccc32)CC1 ZINC000571790638 505816260 /nfs/dbraw/zinc/81/62/60/505816260.db2.gz XBUWSMKXBTZKNR-HXUWFJFHSA-N 2 0 356.510 3.434 20 0 FGADRP CCN1CCO[C@H](C(=O)Nc2ccccc2C[N@H+](C)C2CCCCC2)C1 ZINC000174531849 495997392 /nfs/dbraw/zinc/99/73/92/495997392.db2.gz QKLGUPLXALKTLX-FQEVSTJZSA-N 2 0 359.514 3.110 20 0 FGADRP CC[N@@H+]1CC[C@H]([NH2+]CCc2ccc(OCC[NH+]3CCCC3)cc2)[C@H](C)C1 ZINC000183495919 496008042 /nfs/dbraw/zinc/00/80/42/496008042.db2.gz ZFRZBGXBWPISGO-KNQAVFIVSA-N 3 0 359.558 3.024 20 0 FGADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H](C)c2ccc(F)cc2Br)CC1 ZINC000155616922 496013989 /nfs/dbraw/zinc/01/39/89/496013989.db2.gz LEJFMYGEGUYTHJ-KGLIPLIRSA-N 2 0 372.326 3.265 20 0 FGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H](c2ccccc2)c2ccc(F)cn2)CC1 ZINC000183553438 496029042 /nfs/dbraw/zinc/02/90/42/496029042.db2.gz HGJDOFFPMBEOII-XMSQKQJNSA-N 2 0 370.516 3.173 20 0 FGADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@H](C)c1cc(Br)ccc1F ZINC000186564248 496047708 /nfs/dbraw/zinc/04/77/08/496047708.db2.gz APKVPHAVKQHHLX-ZIAGYGMSSA-N 2 0 372.326 3.265 20 0 FGADRP CCOc1ccc([C@H](C)[NH2+][C@H](C)CCN2CC[NH+](C)CC2)cc1OCC ZINC000186580224 496055268 /nfs/dbraw/zinc/05/52/68/496055268.db2.gz FSAQSXOKMQSBJP-MSOLQXFVSA-N 2 0 363.546 3.161 20 0 FGADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H]1CCSc2ccc(Cl)cc21 ZINC000186592793 496062121 /nfs/dbraw/zinc/06/21/21/496062121.db2.gz TUQVUBIMONPPFJ-RHSMWYFYSA-N 2 0 353.963 3.493 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1ccccc1 ZINC000174691510 496064008 /nfs/dbraw/zinc/06/40/08/496064008.db2.gz LKVAKLQDERRQCI-VTHDOGFWSA-N 2 0 372.557 3.384 20 0 FGADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1cccc(-c2ccncc2)c1 ZINC000186597012 496064142 /nfs/dbraw/zinc/06/41/42/496064142.db2.gz NVIXOAONPMRLSF-OALUTQOASA-N 2 0 352.526 3.425 20 0 FGADRP C[NH+](Cc1cccc(C[N@@H+](C)CC2(O)CCCC2)c1)CC1(O)CCCC1 ZINC000152226212 496087038 /nfs/dbraw/zinc/08/70/38/496087038.db2.gz MNCLYTSNPRJCHI-UHFFFAOYSA-N 2 0 360.542 3.160 20 0 FGADRP C[NH+](C)[C@H](CNC(=O)Nc1ccc2c(c1F)CC[NH2+]C2)c1ccc(F)cc1 ZINC000577941274 505823933 /nfs/dbraw/zinc/82/39/33/505823933.db2.gz SOXOASJQRRIUBL-GOSISDBHSA-N 2 0 374.435 3.035 20 0 FGADRP C[NH+](C)Cc1ccc(-c2ccccc2C[NH2+]C[C@H](O)C(F)(F)F)cc1 ZINC000568991601 505826121 /nfs/dbraw/zinc/82/61/21/505826121.db2.gz TWMKRJLFEQHSTR-SFHVURJKSA-N 2 0 352.400 3.428 20 0 FGADRP CC(=O)NC1CCC([NH2+]C2[C@H](C)C[NH+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000161618872 496208743 /nfs/dbraw/zinc/20/87/43/496208743.db2.gz YBTWKRNSSIGEKG-FBIZOPLVSA-N 2 0 357.542 3.180 20 0 FGADRP Cc1ccc2c(c1)[C@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)CCC2 ZINC000180998018 496234948 /nfs/dbraw/zinc/23/49/48/496234948.db2.gz PVHFFWZTYPCPJS-JOCHJYFZSA-N 2 0 365.521 3.454 20 0 FGADRP Cc1cccc(CC[C@@H](C)[NH2+]Cc2ccc(C(=O)NCC[NH+](C)C)cc2)c1 ZINC000180998800 496235813 /nfs/dbraw/zinc/23/58/13/496235813.db2.gz HTDREMNLVKHOOJ-LJQANCHMSA-N 2 0 367.537 3.397 20 0 FGADRP CCc1nc(CN2CCC(C[NH2+][C@@H]3CC[N@@H+](CC)C[C@@H]3C)CC2)cs1 ZINC000161776190 496235917 /nfs/dbraw/zinc/23/59/17/496235917.db2.gz IETMZUHPKHEASP-QFBILLFUSA-N 2 0 364.603 3.237 20 0 FGADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)N1CCC[C@@H]1C[NH+]1CCCC1)c1ccccc1 ZINC000172269326 496237388 /nfs/dbraw/zinc/23/73/88/496237388.db2.gz BWMRYGWWJRFSDF-UYAOXDASSA-N 2 0 372.557 3.386 20 0 FGADRP CCNC(=O)c1ccc(C[NH2+][C@@H](C)c2ccc(OCC[NH+](C)C)cc2)cc1 ZINC000156464902 496252056 /nfs/dbraw/zinc/25/20/56/496252056.db2.gz HPWQHSZJCFHVGD-KRWDZBQOSA-N 2 0 369.509 3.228 20 0 FGADRP CC[C@@H]([NH3+])C(=O)NCc1ccccc1-c1ccc(C[NH+]2CCCC2)cc1 ZINC000152848415 496274566 /nfs/dbraw/zinc/27/45/66/496274566.db2.gz KFZIORAUNUFYKK-OAQYLSRUSA-N 2 0 351.494 3.303 20 0 FGADRP CCN(C(=O)C1CC[NH+](C(C)C)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000184189290 496279003 /nfs/dbraw/zinc/27/90/03/496279003.db2.gz JORZDQKZYOTEEG-OAQYLSRUSA-N 2 0 357.542 3.230 20 0 FGADRP COc1ccc([C@H](Cc2ccccc2)NC[C@@H](O)C[N@H+](C)C2CC2)cc1 ZINC000577989919 505835068 /nfs/dbraw/zinc/83/50/68/505835068.db2.gz YUFVWPJIVFNMST-IRLDBZIGSA-N 2 0 354.494 3.024 20 0 FGADRP C[C@]1(C[NH2+]C2CCN(CC(F)F)CC2)CCCN1Cc1ccccc1 ZINC000152949314 496304652 /nfs/dbraw/zinc/30/46/52/496304652.db2.gz FXDOTWFKPDOJKK-HXUWFJFHSA-N 2 0 351.485 3.360 20 0 FGADRP O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000172506965 496321377 /nfs/dbraw/zinc/32/13/77/496321377.db2.gz IBJFMDRYWSBWKA-RTBURBONSA-N 2 0 374.529 3.076 20 0 FGADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)N(C)CC1([NH+](C)C)CCC1)c1ccccc1 ZINC000187172847 496325498 /nfs/dbraw/zinc/32/54/98/496325498.db2.gz UYMODTNOGUMGJO-QGZVFWFLSA-N 2 0 360.546 3.242 20 0 FGADRP CC(C)[NH+]1CCC(C(=O)N(C)CCC2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000181243605 496326174 /nfs/dbraw/zinc/32/61/74/496326174.db2.gz YRVOZUQVSSUQMY-UHFFFAOYSA-N 2 0 372.557 3.267 20 0 FGADRP COc1cc(Br)c(C[N@H+](C)CC2CC[NH+](C)CC2)cc1OC ZINC000172534445 496331552 /nfs/dbraw/zinc/33/15/52/496331552.db2.gz UPPIJGNFNXPPNW-UHFFFAOYSA-N 2 0 371.319 3.240 20 0 FGADRP COc1ccc(-c2ccncc2)cc1C[NH2+]CCCC[N@@H+]1CCC[C@H]1CO ZINC000187229195 496349757 /nfs/dbraw/zinc/34/97/57/496349757.db2.gz KFAHTLDADWPCLK-NRFANRHFSA-N 2 0 369.509 3.084 20 0 FGADRP C[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1)c1cccs1 ZINC000156901348 496359827 /nfs/dbraw/zinc/35/98/27/496359827.db2.gz JCYNVROJVUMJKU-QAPCUYQASA-N 2 0 357.523 3.296 20 0 FGADRP C[NH+](C)Cc1cccc(C(=O)NCc2ccccc2C[NH+]2CCCC2)c1 ZINC000172613247 496363764 /nfs/dbraw/zinc/36/37/64/496363764.db2.gz MKEIBYZXNZMLFC-UHFFFAOYSA-N 2 0 351.494 3.274 20 0 FGADRP CC(C)[NH+]1CCC(C(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)CC1 ZINC000172722961 496402545 /nfs/dbraw/zinc/40/25/45/496402545.db2.gz UTKVENWVTVMTTA-QGZVFWFLSA-N 2 0 363.571 3.197 20 0 FGADRP Cc1cccc2c1[C@@H](C)C[C@H]2[NH2+]Cc1cccnc1N1CC[NH+](C)CC1 ZINC000153264906 496402735 /nfs/dbraw/zinc/40/27/35/496402735.db2.gz NXOKVMFYHAAQRB-FXAWDEMLSA-N 2 0 350.510 3.480 20 0 FGADRP C[NH+](C)[C@H](CNC(=O)C[NH2+]C1(c2ccccc2)CCC1)c1ccccc1 ZINC000184596505 496456686 /nfs/dbraw/zinc/45/66/86/496456686.db2.gz OVTKUIVQZWMESZ-HXUWFJFHSA-N 2 0 351.494 3.075 20 0 FGADRP C[C@@H](c1ccccc1F)[NH+]1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000157491505 496487105 /nfs/dbraw/zinc/48/71/05/496487105.db2.gz RZCVWIRIMWYETI-INIZCTEOSA-N 2 0 363.521 3.303 20 0 FGADRP C[C@@H]1CN(Cc2cccc(C[NH2+]CCC(=O)Nc3ccccc3)c2)CCO1 ZINC000580828611 505847404 /nfs/dbraw/zinc/84/74/04/505847404.db2.gz DOJZTLJXUIXUFQ-GOSISDBHSA-N 2 0 367.493 3.026 20 0 FGADRP CCOc1cccc2cc([C@H](C)[NH2+]C[C@@H](C)CN3CC[NH+](C)CC3)oc21 ZINC000181689667 496504058 /nfs/dbraw/zinc/50/40/58/496504058.db2.gz HIEKILCHFHRJIY-SJORKVTESA-N 2 0 359.514 3.366 20 0 FGADRP CCO[C@H]1C[C@H]([NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)C12CCCC2 ZINC000181707549 496511406 /nfs/dbraw/zinc/51/14/06/496511406.db2.gz UBRUVTDBGYROOU-VXKWHMMOSA-N 2 0 372.553 3.471 20 0 FGADRP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)[C@@H](C[NH3+])c1ccccc1 ZINC000178690382 496541762 /nfs/dbraw/zinc/54/17/62/496541762.db2.gz VIQOEPZTUYJIFZ-AVRDEDQJSA-N 2 0 365.521 3.420 20 0 FGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+][C@@H](C)CCn2cccn2)CC1 ZINC000157744736 496543221 /nfs/dbraw/zinc/54/32/21/496543221.db2.gz QGFVVLVOPLMPTL-ROUUACIJSA-N 2 0 373.520 3.294 20 0 FGADRP C[C@H]([NH2+]Cc1ccc(-n2cncn2)cc1)c1cccc(OCC[NH+](C)C)c1 ZINC000178742401 496557688 /nfs/dbraw/zinc/55/76/88/496557688.db2.gz AAGHIGDOXIRFFC-KRWDZBQOSA-N 2 0 365.481 3.059 20 0 FGADRP Cc1nn(C)cc1[C@H](C)[NH2+][C@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000178758620 496561594 /nfs/dbraw/zinc/56/15/94/496561594.db2.gz AQFRZZASSCCMJM-CABCVRRESA-N 2 0 359.493 3.031 20 0 FGADRP CC(C)[NH+](CCCNC(=O)NC1CC[NH+](C2CCCC2)CC1)C(C)C ZINC000175840108 496567826 /nfs/dbraw/zinc/56/78/26/496567826.db2.gz TWOHHJVOQZHIPY-UHFFFAOYSA-N 2 0 352.567 3.202 20 0 FGADRP CCO[C@H]1C[C@@H]([NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)C12CCC2 ZINC000181860913 496575606 /nfs/dbraw/zinc/57/56/06/496575606.db2.gz ULNUZORTSUNDBW-RTWAWAEBSA-N 2 0 358.526 3.081 20 0 FGADRP COc1ccc2c(c1)[C@@H]([NH2+]C[C@H](C)CN1CC[NH+](C)CC1)CCCS2 ZINC000187955544 496630340 /nfs/dbraw/zinc/63/03/40/496630340.db2.gz GZFKIDBBPPTWJR-LPHOPBHVSA-N 2 0 363.571 3.095 20 0 FGADRP C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000158134608 496635285 /nfs/dbraw/zinc/63/52/85/496635285.db2.gz ULIMMLGCRQCRSK-KGLIPLIRSA-N 2 0 357.420 3.354 20 0 FGADRP COc1ccc(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)cc1Cl ZINC000178998051 496640259 /nfs/dbraw/zinc/64/02/59/496640259.db2.gz YYESIUOCDFJXFH-UHFFFAOYSA-N 2 0 352.906 3.425 20 0 FGADRP C[NH+](C)CCC1CC[NH+]([C@H]2CCN(c3ccc(F)c(Cl)c3)C2=O)CC1 ZINC000182073517 496659517 /nfs/dbraw/zinc/65/95/17/496659517.db2.gz VZEDCIRFPNFSOO-SFHVURJKSA-N 2 0 367.896 3.248 20 0 FGADRP CC1CC[NH+]([C@@H](CNC(=O)[C@@H]([NH3+])Cc2ccccc2)c2ccccc2)CC1 ZINC000165725213 496666440 /nfs/dbraw/zinc/66/64/40/496666440.db2.gz ATEKFWGIOLNENR-VXKWHMMOSA-N 2 0 365.521 3.146 20 0 FGADRP COC[C@H]([NH2+]Cc1ccccc1C[N@H+](C)Cc1ccco1)C1CCOCC1 ZINC000188068657 496670190 /nfs/dbraw/zinc/67/01/90/496670190.db2.gz CTUISHJSUMTJOW-QFIPXVFZSA-N 2 0 372.509 3.443 20 0 FGADRP CC1CC[NH+](Cc2ccc(CNC(=O)N(C)CC[N@H+](C)C3CC3)cc2)CC1 ZINC000185124915 496672082 /nfs/dbraw/zinc/67/20/82/496672082.db2.gz RSXRJMNLFFNYDW-UHFFFAOYSA-N 2 0 372.557 3.154 20 0 FGADRP CCCC[N@H+](C)CC1CC[NH+](CCC(=O)Nc2cccc(OC)c2)CC1 ZINC000173393696 496672568 /nfs/dbraw/zinc/67/25/68/496672568.db2.gz PTYUDBLMAJYXIG-UHFFFAOYSA-N 2 0 361.530 3.468 20 0 FGADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H](C)c1cnn(-c2ccc(F)cc2)c1C ZINC000165973414 496674533 /nfs/dbraw/zinc/67/45/33/496674533.db2.gz TWMBCZXPNFWNBF-BEFAXECRSA-N 2 0 362.493 3.327 20 0 FGADRP CC1CC[NH+](CCCCNC(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)CC1 ZINC000179122403 496682744 /nfs/dbraw/zinc/68/27/44/496682744.db2.gz HHMWMWOJWOWXPL-NHCUHLMSSA-N 2 0 372.557 3.243 20 0 FGADRP CC1(C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)CC[NH+](Cc2ccccc2)CC1 ZINC000182140255 496685101 /nfs/dbraw/zinc/68/51/01/496685101.db2.gz QYLQGQXLLJSIFQ-OAQYLSRUSA-N 2 0 369.553 3.233 20 0 FGADRP C[C@H](CNC(=O)CC[C@H]([NH3+])c1ccccc1)[N@@H+]1CCc2ccccc2C1 ZINC000166500180 496687970 /nfs/dbraw/zinc/68/79/70/496687970.db2.gz WBOFTFYHDXUCHE-UTKZUKDTSA-N 2 0 351.494 3.030 20 0 FGADRP COc1cc(Cl)c(C)cc1NC(=O)CC[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000158380713 496689585 /nfs/dbraw/zinc/68/95/85/496689585.db2.gz HTDXBVAICWYVMR-KGLIPLIRSA-N 2 0 353.894 3.058 20 0 FGADRP O=C(Nc1cccc(C[NH+]2CCSCC2)c1)[C@H]1[NH2+]CCc2ccccc21 ZINC000166695476 496690788 /nfs/dbraw/zinc/69/07/88/496690788.db2.gz CHXPRQLWQDZZMI-FQEVSTJZSA-N 2 0 367.518 3.061 20 0 FGADRP CC(C)N(CC[NH+](C)C)C(=O)NCc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000158405698 496694435 /nfs/dbraw/zinc/69/44/35/496694435.db2.gz XYTDLUBXCKNVPX-UHFFFAOYSA-N 2 0 374.573 3.400 20 0 FGADRP C[NH+]1CCN(c2ncccc2C[NH2+][C@@H]2CCCCc3ccccc32)CC1 ZINC000158513861 496717033 /nfs/dbraw/zinc/71/70/33/496717033.db2.gz MBJWNOFWIDUOMG-OAQYLSRUSA-N 2 0 350.510 3.391 20 0 FGADRP CC(C)[N@@H+](C)C[C@H](C)NC(=O)N1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000578105447 505862164 /nfs/dbraw/zinc/86/21/64/505862164.db2.gz CFMSXOYAEQZLFR-SIKLNZKXSA-N 2 0 372.557 3.023 20 0 FGADRP C[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CCCc4cc(F)ccc43)cn2)CC1 ZINC000182309617 496729160 /nfs/dbraw/zinc/72/91/60/496729160.db2.gz GECXSKCONKPCFR-HXUWFJFHSA-N 2 0 354.473 3.140 20 0 FGADRP C[C@@H](NC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182345105 496730559 /nfs/dbraw/zinc/73/05/59/496730559.db2.gz ZWPMNHHKSFJTDA-HZPDHXFCSA-N 2 0 364.578 3.248 20 0 FGADRP CCC[N@@H+]1CC[C@H](CNC(=O)NC2CC[NH+]([C@H](C)c3ccccc3)CC2)C1 ZINC000246946063 496732777 /nfs/dbraw/zinc/73/27/77/496732777.db2.gz JBAFSRAPWCVEBA-RTBURBONSA-N 2 0 372.557 3.243 20 0 FGADRP C[C@H]([NH2+]CCCN1CC[N@H+](C)C[C@@H]1c1ccccc1)c1cccc(O)c1 ZINC000194847176 496734440 /nfs/dbraw/zinc/73/44/40/496734440.db2.gz OCSPEMRDEAJQHJ-PGRDOPGGSA-N 2 0 353.510 3.422 20 0 FGADRP C[C@H]1Cc2ccccc2N1CC[NH2+][C@H]1CCN(Cc2ccccn2)C[C@H]1C ZINC000246954095 496734939 /nfs/dbraw/zinc/73/49/39/496734939.db2.gz INMSCRCQBPANDG-DXIQSLLYSA-N 2 0 364.537 3.333 20 0 FGADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCC(=O)NCc2ccccc2Cl)[C@@H](C)C1 ZINC000247056730 496765761 /nfs/dbraw/zinc/76/57/61/496765761.db2.gz ZNJXHCQOZZJWIG-MAUKXSAKSA-N 2 0 351.922 3.008 20 0 FGADRP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)CC1 ZINC000247077626 496772191 /nfs/dbraw/zinc/77/21/91/496772191.db2.gz XKGPYQXXPHNIQX-SQGPQFPESA-N 2 0 370.541 3.136 20 0 FGADRP CC[NH+](CC)Cc1cccc(CNC(=O)N(C)[C@@H](C)C2CC[NH+](C)CC2)c1 ZINC000273346309 496779750 /nfs/dbraw/zinc/77/97/50/496779750.db2.gz BUYJLANAHSPBPT-SFHVURJKSA-N 2 0 374.573 3.400 20 0 FGADRP CC(C)[NH+]1CCN(CCC[N@@H+](Cc2ccccc2)CC2CCOCC2)CC1 ZINC000191490541 496780659 /nfs/dbraw/zinc/78/06/59/496780659.db2.gz HAVXNZGXNFYDAC-UHFFFAOYSA-N 2 0 373.585 3.331 20 0 FGADRP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(NC(=O)c3ccncc3)cc2)[C@H](C)C1 ZINC000268777930 496782758 /nfs/dbraw/zinc/78/27/58/496782758.db2.gz BBBMTLRUHNLBAI-UZLBHIALSA-N 2 0 352.482 3.154 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(NC(N)=O)cc1 ZINC000268782525 496783626 /nfs/dbraw/zinc/78/36/26/496783626.db2.gz UNHOCCAWRWDCBU-UZLBHIALSA-N 2 0 352.482 3.177 20 0 FGADRP CC[C@H](C(=O)N1CCC([NH2+][C@@H]2CCN(C)[C@@H](C)C2)CC1)c1ccccc1 ZINC000247122572 496785694 /nfs/dbraw/zinc/78/56/94/496785694.db2.gz UUFAIBCCHJKLLU-WMQCIHAUSA-N 2 0 357.542 3.244 20 0 FGADRP C[C@@H]([NH2+]CCCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1ccc(-n2cnnn2)cc1 ZINC000247190465 496802147 /nfs/dbraw/zinc/80/21/47/496802147.db2.gz VTEOPPWOOYDSEC-KZNAEPCWSA-N 2 0 356.518 3.071 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1N[C@H]1CC[NH+](CC2CCCC2)C1 ZINC000247234494 496812088 /nfs/dbraw/zinc/81/20/88/496812088.db2.gz XEJPTVLDWGEVIM-BVYCBKJFSA-N 2 0 356.558 3.146 20 0 FGADRP COc1ccccc1O[C@H](C)C[NH2+][C@@H]1CCN(Cc2ccccn2)C[C@H]1C ZINC000247247926 496816104 /nfs/dbraw/zinc/81/61/04/496816104.db2.gz YCNDQPFKAILQFX-QWFCFKBJSA-N 2 0 369.509 3.358 20 0 FGADRP Cc1cc(NC(=O)CC[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)no1 ZINC000264120843 496816774 /nfs/dbraw/zinc/81/67/74/496816774.db2.gz VGZHBUYUSLUKOR-UHFFFAOYSA-N 2 0 370.497 3.156 20 0 FGADRP CC(C)OCC[C@H](O)C[NH2+]CC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000578127663 505868417 /nfs/dbraw/zinc/86/84/17/505868417.db2.gz JRJMNSPYXPDGCB-IBGZPJMESA-N 2 0 368.949 3.318 20 0 FGADRP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)c1ccc(Br)cc1 ZINC000247323816 496835428 /nfs/dbraw/zinc/83/54/28/496835428.db2.gz LNTNPLHDYMPVPY-YOEHRIQHSA-N 2 0 355.320 3.337 20 0 FGADRP C[NH+](C)Cc1c2ccccc2oc1C(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000277644926 496839458 /nfs/dbraw/zinc/83/94/58/496839458.db2.gz YIJQUWMJYGIDQZ-INIZCTEOSA-N 2 0 355.482 3.241 20 0 FGADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@H](Cc1ccccc1F)c1ccccc1 ZINC000191729681 496870554 /nfs/dbraw/zinc/87/05/54/496870554.db2.gz PXKMMFBALLLIHF-PGRDOPGGSA-N 2 0 355.501 3.335 20 0 FGADRP CCC1(CNC(=O)N[C@@H](C)C[C@@H](C)[NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000572034081 505873884 /nfs/dbraw/zinc/87/38/84/505873884.db2.gz XLTCMKLOBKNWGH-MSOLQXFVSA-N 2 0 360.546 3.104 20 0 FGADRP Cc1ccc(OC(F)F)c([C@H](C)[NH2+]CCCC[N@@H+]2CCC[C@H]2CO)c1 ZINC000247978525 496936999 /nfs/dbraw/zinc/93/69/99/496936999.db2.gz ICVNXVNPFDQCAM-HOTGVXAUSA-N 2 0 356.457 3.484 20 0 FGADRP CC(C)C[C@H](NC(=O)CN1CC[C@H]2[C@H](CCC[N@@H+]2C)C1)c1ccccc1 ZINC000248009992 496942802 /nfs/dbraw/zinc/94/28/02/496942802.db2.gz LEHJMGSNHMVDCW-HKBOAZHASA-N 2 0 357.542 3.306 20 0 FGADRP C[N@@H+]1CCC[C@@H]2C[NH+](C[C@@H](O)COc3ccc(C(C)(C)C)cc3)CC[C@@H]21 ZINC000248043583 496948046 /nfs/dbraw/zinc/94/80/46/496948046.db2.gz UJSBPJQXZPIVSN-QFUCXCTJSA-N 2 0 360.542 3.140 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)C[C@@H]([NH3+])c1ccccc1 ZINC000269511850 496961894 /nfs/dbraw/zinc/96/18/94/496961894.db2.gz OVLGTQQWVSRYGJ-DUXKGJEZSA-N 2 0 351.494 3.103 20 0 FGADRP C[NH+](C)Cc1c2ccccc2oc1C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000248146944 496962595 /nfs/dbraw/zinc/96/25/95/496962595.db2.gz QHWSHYALYNUSKE-CRAIPNDOSA-N 2 0 355.482 3.051 20 0 FGADRP COc1cc(OC)c([C@H](C)[NH2+]CCCC[N@@H+]2CCC[C@H]2CO)cc1Cl ZINC000248152742 496964600 /nfs/dbraw/zinc/96/46/00/496964600.db2.gz QYLBDYLPSZWTGK-GJZGRUSLSA-N 2 0 370.921 3.245 20 0 FGADRP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)c1ccc(F)cc1Br ZINC000248155070 496965233 /nfs/dbraw/zinc/96/52/33/496965233.db2.gz RFWSYWOITGHKEE-HIFRSBDPSA-N 2 0 373.310 3.476 20 0 FGADRP Cc1ncc2n1C[C@H](C(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)CC2 ZINC000580955218 505876787 /nfs/dbraw/zinc/87/67/87/505876787.db2.gz RJFVSNPPSFGEAA-FCEWJHQRSA-N 2 0 372.538 3.015 20 0 FGADRP C[NH+](C)CCN1CCC([NH2+]Cc2cc(Cl)cc(C(F)(F)F)c2)CC1 ZINC000189033344 496984525 /nfs/dbraw/zinc/98/45/25/496984525.db2.gz OCPAYCKZRRXGHQ-UHFFFAOYSA-N 2 0 363.855 3.474 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@H](C)[C@H]2CCC[NH+](C3CCC3)C2)[C@H](C)C1 ZINC000248400459 496997144 /nfs/dbraw/zinc/99/71/44/496997144.db2.gz KUIQZUSEHQDCFX-XSYGEPLQSA-N 2 0 364.578 3.011 20 0 FGADRP Cc1ccc(S(=O)(=O)C[C@@H](C)[NH2+]CCCC[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000248532635 497032359 /nfs/dbraw/zinc/03/23/59/497032359.db2.gz YPAAEZGVNNHKAC-RTBURBONSA-N 2 0 366.571 3.259 20 0 FGADRP FC(F)(F)Oc1cccc(N2CC[C@H]([NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)C2)c1 ZINC000269973182 497034954 /nfs/dbraw/zinc/03/49/54/497034954.db2.gz OUZNOCZXTHIANO-HRCADAONSA-N 2 0 369.431 3.380 20 0 FGADRP OC[C@@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000248730993 497091347 /nfs/dbraw/zinc/09/13/47/497091347.db2.gz LBQGOBCCJWYXJT-LNRXMEIDSA-N 2 0 370.537 3.081 20 0 FGADRP c1c(CC[NH2+][C@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)nc2n1CCS2 ZINC000274432727 497097310 /nfs/dbraw/zinc/09/73/10/497097310.db2.gz WBOFHUZSWNXKFS-SXLOBPIMSA-N 2 0 368.550 3.032 20 0 FGADRP c1ccc(CC[N@@H+]2CC[C@H](C[NH2+][C@H]3[C@H]4CCO[C@H]4C34CCCC4)C2)cc1 ZINC000248822147 497109913 /nfs/dbraw/zinc/10/99/13/497109913.db2.gz XTSJLGMJHIWRGA-YUMYIRISSA-N 2 0 354.538 3.488 20 0 FGADRP CN1CC[NH+](CC2CC[NH+](Cc3cccc(C(F)(F)F)c3)CC2)CC1 ZINC000265441730 497121154 /nfs/dbraw/zinc/12/11/54/497121154.db2.gz QHKZNAHGAULRND-UHFFFAOYSA-N 2 0 355.448 3.165 20 0 FGADRP CC1CC[NH+]([C@H](CNC(=O)[C@H](C[NH3+])c2ccccc2)c2ccccc2)CC1 ZINC000236661230 497129061 /nfs/dbraw/zinc/12/90/61/497129061.db2.gz MWHZQDNLASRFDM-FGZHOGPDSA-N 2 0 365.521 3.318 20 0 FGADRP Cc1c[nH+]ccc1N1CC[NH+](CCCc2nc(-c3cccs3)no2)CC1 ZINC000192497861 497133481 /nfs/dbraw/zinc/13/34/81/497133481.db2.gz MDXPUHSDAIZTNP-UHFFFAOYSA-N 2 0 369.494 3.256 20 0 FGADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC000274640279 497136100 /nfs/dbraw/zinc/13/61/00/497136100.db2.gz RCRALCQRILLGKA-HZPDHXFCSA-N 2 0 357.464 3.252 20 0 FGADRP c1cc2cccc(C[NH2+]CCCN3CC[NH+](Cc4ccccc4)CC3)c2[nH]1 ZINC000236713849 497137570 /nfs/dbraw/zinc/13/75/70/497137570.db2.gz YYJJMNNWMSBSAC-UHFFFAOYSA-N 2 0 362.521 3.465 20 0 FGADRP CC1CC[NH+](Cc2ccccc2CNC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)CC1 ZINC000236718680 497137699 /nfs/dbraw/zinc/13/76/99/497137699.db2.gz QZMKYEMTXQCBOB-COPCDDAFSA-N 2 0 369.553 3.455 20 0 FGADRP C[C@@H]1CN(CCC[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C[C@H](C)O1 ZINC000249044938 497153934 /nfs/dbraw/zinc/15/39/34/497153934.db2.gz VSGAQPBJBAJZIP-QOXZHXANSA-N 2 0 371.569 3.271 20 0 FGADRP CC[NH+](CC)CCOc1cc(NC(=O)c2ccc(C[NH3+])cc2)ccc1OC ZINC000236878339 497161245 /nfs/dbraw/zinc/16/12/45/497161245.db2.gz GPNFEMUYICSDBS-UHFFFAOYSA-N 2 0 371.481 3.127 20 0 FGADRP CCC[C@H]([NH3+])C(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000236876790 497161273 /nfs/dbraw/zinc/16/12/73/497161273.db2.gz UDMNNHDXYNILFA-HYVNUMGLSA-N 2 0 371.447 3.332 20 0 FGADRP CC[NH+](CC)Cc1ccccc1CNC(=O)[C@@H](C)[C@@H]([NH3+])c1ccccc1 ZINC000236907244 497167619 /nfs/dbraw/zinc/16/76/19/497167619.db2.gz FUMMYXUNILZWJF-LAUBAEHRSA-N 2 0 353.510 3.481 20 0 FGADRP C[NH+](C)CCn1ccc2ccc(NC(=O)[C@@H]3C[C@H]4CCCC[C@@H]4[NH2+]3)cc21 ZINC000237010426 497180151 /nfs/dbraw/zinc/18/01/51/497180151.db2.gz FETJXDYJPVGTNA-NEWSRXKRSA-N 2 0 354.498 3.062 20 0 FGADRP C[C@H]1CC[N@H+](Cc2cnn(Cc3ccc(F)cc3)c2)C[C@H]1n1ccnc1 ZINC000249251456 497183406 /nfs/dbraw/zinc/18/34/06/497183406.db2.gz CCHUBSWLCBIPPE-OXJNMPFZSA-N 2 0 353.445 3.350 20 0 FGADRP CCNC(=O)C1(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CCC1 ZINC000278701722 497193662 /nfs/dbraw/zinc/19/36/62/497193662.db2.gz LBTLIRQDILQGAK-OWZKRDHZSA-N 2 0 355.526 3.078 20 0 FGADRP CC(C)[NH+]1CCN(CCC[N@@H+]2[C@H](C)CO[C@@H](c3ccccc3)[C@@H]2C)CC1 ZINC000192738729 497199946 /nfs/dbraw/zinc/19/99/46/497199946.db2.gz OMUZSQKTERXZIM-RZUBCFFCSA-N 2 0 359.558 3.253 20 0 FGADRP CCN(CCC[NH+](C)C)C(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000189668419 497203089 /nfs/dbraw/zinc/20/30/89/497203089.db2.gz YLEUPGQBHFAPFN-GOSISDBHSA-N 2 0 360.546 3.195 20 0 FGADRP CC[C@]1(CO)CCC[NH+]1Cc1ccccc1C[N@H+]1CCC[C@@]1(CC)CO ZINC000189671203 497205272 /nfs/dbraw/zinc/20/52/72/497205272.db2.gz WVEGMRVDPPONDS-SZPZYZBQSA-N 2 0 360.542 3.160 20 0 FGADRP CC(C)[NH+]1CCN(C2CC[NH+](Cc3cccc4cccnc43)CC2)CC1 ZINC000270829797 497211218 /nfs/dbraw/zinc/21/12/18/497211218.db2.gz CKZHQYZOXSDVDH-UHFFFAOYSA-N 2 0 352.526 3.225 20 0 FGADRP C[C@H]([NH2+][C@@H]1CC(=O)N(c2ccccc2)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000574963120 505892079 /nfs/dbraw/zinc/89/20/79/505892079.db2.gz ZXPMNIPBCRAIMU-CEWLAPEOSA-N 2 0 363.505 3.292 20 0 FGADRP COc1cccc(CCC[NH+]2CCC(N3CC[NH+](C(C)C)CC3)CC2)c1 ZINC000270915732 497225643 /nfs/dbraw/zinc/22/56/43/497225643.db2.gz OMTTUXZXHPVMSE-UHFFFAOYSA-N 2 0 359.558 3.118 20 0 FGADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)C2CC[NH+](Cc3ccccc3)CC2)[C@@H](C)C1 ZINC000266014598 497232621 /nfs/dbraw/zinc/23/26/21/497232621.db2.gz UJSBQLHMCRVREE-GHTZIAJQSA-N 2 0 357.542 3.087 20 0 FGADRP C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)c2ccc(C[NH3+])cc2)C1 ZINC000237473131 497242470 /nfs/dbraw/zinc/24/24/70/497242470.db2.gz QQOUPJYUWUKKEO-QGZVFWFLSA-N 2 0 351.494 3.307 20 0 FGADRP c1ccc(C[N@H+]2CC[C@H](C[NH2+]Cc3ccc(N4CCCC4)nc3)C2)cc1 ZINC000192932016 497251403 /nfs/dbraw/zinc/25/14/03/497251403.db2.gz LCNUPBRFIOJSEH-OAQYLSRUSA-N 2 0 350.510 3.294 20 0 FGADRP Cc1ccc(C[N@H+]2CCCN(C(=O)CN(C)[C@H](C)c3ccco3)CC2)cc1 ZINC000249827599 497251579 /nfs/dbraw/zinc/25/15/79/497251579.db2.gz LTOLCWZCJFSZBW-LJQANCHMSA-N 2 0 369.509 3.315 20 0 FGADRP C[C@]1(C(=O)NCC2CC[NH+](Cc3ccccc3Cl)CC2)CCC[NH2+]C1 ZINC000237549628 497254930 /nfs/dbraw/zinc/25/49/30/497254930.db2.gz KAWSFRQQVDDEMD-FQEVSTJZSA-N 2 0 363.933 3.058 20 0 FGADRP C[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)[C@@H]([NH3+])c1ccccc1 ZINC000237563904 497255517 /nfs/dbraw/zinc/25/55/17/497255517.db2.gz PSTHZMKRKNKTOS-MOXQZVSFSA-N 2 0 365.521 3.492 20 0 FGADRP Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000237591897 497260261 /nfs/dbraw/zinc/26/02/61/497260261.db2.gz FRKOFLUZROJZAM-UXPWSPDFSA-N 2 0 373.566 3.403 20 0 FGADRP CC(C)[NH2+]CCCNC(=O)NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000574975681 505895658 /nfs/dbraw/zinc/89/56/58/505895658.db2.gz SLAYCTMVVZGRAB-SFHVURJKSA-N 2 0 360.546 3.248 20 0 FGADRP C[C@H](C[NH+]1CCCCCC1)NC(=O)N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000251654902 497280133 /nfs/dbraw/zinc/28/01/33/497280133.db2.gz JUJSAMATHLLCPU-QYZOEREBSA-N 2 0 364.578 3.203 20 0 FGADRP CC[NH+](CC)C[C@H]1CCN(C(=O)C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000266332259 497307110 /nfs/dbraw/zinc/30/71/10/497307110.db2.gz XRUSWCAGQWBKNA-HXUWFJFHSA-N 2 0 357.542 3.089 20 0 FGADRP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+][C@H]1CCc2ccc(Br)cc21 ZINC000253355740 497326335 /nfs/dbraw/zinc/32/63/35/497326335.db2.gz GMZDLODJMRGRRC-WMZOPIPTSA-N 2 0 367.331 3.263 20 0 FGADRP [NH3+][C@H](C(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1)c1ccccc1 ZINC000238012730 497327192 /nfs/dbraw/zinc/32/71/92/497327192.db2.gz VIWVWHFAVOEXCW-FQEVSTJZSA-N 2 0 371.912 3.368 20 0 FGADRP CCS[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000190066384 497343920 /nfs/dbraw/zinc/34/39/20/497343920.db2.gz TZGUFWCPTGKKAR-CEXWTWQISA-N 2 0 363.571 3.059 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1cccc2ccn(C)c21 ZINC000190066810 497344328 /nfs/dbraw/zinc/34/43/28/497344328.db2.gz PHDYWRCWZTWVPV-GOSISDBHSA-N 2 0 371.529 3.058 20 0 FGADRP CCN(CCC[NH+]1CCCC1)C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000190110513 497361490 /nfs/dbraw/zinc/36/14/90/497361490.db2.gz VSDGWHKHNRNKDH-UHFFFAOYSA-N 2 0 372.557 3.300 20 0 FGADRP O=C(Nc1ccc(Cl)cn1)[C@H]1CCC[N@H+](CCC[NH+]2CCCCC2)C1 ZINC000193474508 497390479 /nfs/dbraw/zinc/39/04/79/497390479.db2.gz NTCUTDUUVMJYIV-INIZCTEOSA-N 2 0 364.921 3.262 20 0 FGADRP CCC[N@H+](C)C[C@H]1CC[NH+](CCC(=O)N[C@H]2CCCc3ccccc32)C1 ZINC000245412165 497393552 /nfs/dbraw/zinc/39/35/52/497393552.db2.gz ABZAXLHVKBCWEN-NQIIRXRSSA-N 2 0 357.542 3.234 20 0 FGADRP C[C@@H](C(=O)N1CCC(C)CC1)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000245443323 497409798 /nfs/dbraw/zinc/40/97/98/497409798.db2.gz IRDQWBANJOLTSI-PZJWPPBQSA-N 2 0 357.542 3.087 20 0 FGADRP CCCN(CC(=O)Nc1ccc(Br)c(C)c1)C1CC[NH2+]CC1 ZINC000261700371 497435949 /nfs/dbraw/zinc/43/59/49/497435949.db2.gz OFHSJEDDILKFSF-UHFFFAOYSA-N 2 0 368.319 3.160 20 0 FGADRP C[NH+](C)Cc1cccc(NC(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000193716929 497457280 /nfs/dbraw/zinc/45/72/80/497457280.db2.gz JIHLQXBQVUZKRZ-FQEVSTJZSA-N 2 0 366.509 3.392 20 0 FGADRP C[C@@H](NC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1)C1=CC[N@H+](C)CC1 ZINC000275973234 497472842 /nfs/dbraw/zinc/47/28/42/497472842.db2.gz NSTGYAGRPOBZGW-GOSISDBHSA-N 2 0 355.526 3.055 20 0 FGADRP O=C(CC[C@@H]1CC[NH2+]C1)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000261930469 497478455 /nfs/dbraw/zinc/47/84/55/497478455.db2.gz YVWGQFPKKUQSPZ-MRXNPFEDSA-N 2 0 363.933 3.058 20 0 FGADRP C[C@H]([NH2+]CC1=CC[N@H+](C)CC1)c1ccccc1I ZINC000271911546 497486104 /nfs/dbraw/zinc/48/61/04/497486104.db2.gz YAUZUQDBTKPNQP-LBPRGKRZSA-N 2 0 356.251 3.204 20 0 FGADRP C[NH2+]CCC1CC[NH+]([C@H](C)C(=O)N[C@@H](C)c2cc3ccccc3o2)CC1 ZINC000262019499 497493708 /nfs/dbraw/zinc/49/37/08/497493708.db2.gz XFIYOGLLBGARON-JKSUJKDBSA-N 2 0 357.498 3.320 20 0 FGADRP CCn1c2ccccc2c2cc(C[N@@H+]3CC[C@@H](N4CC[NH2+]CC4)C3)ccc21 ZINC000262166926 497519396 /nfs/dbraw/zinc/51/93/96/497519396.db2.gz UKUAEOOSFBMFAH-LJQANCHMSA-N 2 0 362.521 3.294 20 0 FGADRP CN(c1ccccc1C[N@@H+]1CC[C@@H]2OCCC[C@@H]2C1)C1CC[NH+](C)CC1 ZINC000245765173 497531872 /nfs/dbraw/zinc/53/18/72/497531872.db2.gz QQDOWVAZWVXXPQ-KNQAVFIVSA-N 2 0 357.542 3.218 20 0 FGADRP CC[NH+]1CCN(CCCC[NH2+][C@H](COC)c2ccc(Cl)cc2)CC1 ZINC000193971502 497536108 /nfs/dbraw/zinc/53/61/08/497536108.db2.gz GKKBSVDAWUOZNK-LJQANCHMSA-N 2 0 353.938 3.035 20 0 FGADRP CCN1CC[C@@H](NC(=O)[C@H]2CC[NH2+][C@@H](C)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000262363997 497545167 /nfs/dbraw/zinc/54/51/67/497545167.db2.gz JAEMOBAYGVXDDE-MZTNWIODSA-N 2 0 367.896 3.119 20 0 FGADRP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCC(C)CC1)C(=O)NCC(F)(F)F ZINC000194017648 497549300 /nfs/dbraw/zinc/54/93/00/497549300.db2.gz IGUJQULKSKSFPX-HNNXBMFYSA-N 2 0 371.447 3.075 20 0 FGADRP C[C@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)c1cc(Br)cs1 ZINC000194027394 497551641 /nfs/dbraw/zinc/55/16/41/497551641.db2.gz AYQRMPVSYYQNHO-ZDUSSCGKSA-N 2 0 374.392 3.435 20 0 FGADRP CCC[N@@H+]1CC[C@H](CNC(=O)N[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000267441523 497552774 /nfs/dbraw/zinc/55/27/74/497552774.db2.gz CJMSDOZIBBWUJZ-CEWLAPEOSA-N 2 0 372.557 3.071 20 0 FGADRP CC1(C)[C@H]([NH2+]CCc2ccc(OCC[NH+]3CCCC3)cc2)[C@@H]2CCCO[C@H]21 ZINC000245868009 497554170 /nfs/dbraw/zinc/55/41/70/497554170.db2.gz IXSPJWNRIUFYGE-BHDDXSALSA-N 2 0 372.553 3.497 20 0 FGADRP CN(C(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+])C1CC[NH+](Cc2ccccc2)CC1 ZINC000262462745 497560796 /nfs/dbraw/zinc/56/07/96/497560796.db2.gz XJHAVQPJSWXKAG-SYURHXKASA-N 2 0 369.553 3.263 20 0 FGADRP c1cc(OCC[NH+]2CCCC2)ccc1CC[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000194134121 497582925 /nfs/dbraw/zinc/58/29/25/497582925.db2.gz PFYLFSQLDJZQCN-BHIFYINESA-N 2 0 370.537 3.251 20 0 FGADRP C[C@H](CCn1cccn1)[NH2+]Cc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000245967194 497586871 /nfs/dbraw/zinc/58/68/71/497586871.db2.gz NOMRAYUNUJGPTQ-QYZOEREBSA-N 2 0 356.514 3.061 20 0 FGADRP Cc1ccc([C@@H](N)C(=O)N2CC[C@H](C)[N@@H+](Cc3ccccc3)CC2)cc1 ZINC000262656031 497593484 /nfs/dbraw/zinc/59/34/84/497593484.db2.gz MIMUULQJDLLERD-GHTZIAJQSA-N 2 0 351.494 3.118 20 0 FGADRP C[C@H](CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC000262670378 497595864 /nfs/dbraw/zinc/59/58/64/497595864.db2.gz NOMLEAVQFRNQKY-AMGDKJTDSA-N 2 0 369.553 3.324 20 0 FGADRP C[C@H](CCn1cccn1)[NH2+]Cc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000246055309 497605895 /nfs/dbraw/zinc/60/58/95/497605895.db2.gz YPCWYCNBKMCRTJ-QRVBRYPASA-N 2 0 356.514 3.061 20 0 FGADRP CCc1ccc([C@@H](CNC(=O)NC[C@H]2CCC[N@H+](C)C2)[NH+](CC)CC)cc1 ZINC000572223219 505918407 /nfs/dbraw/zinc/91/84/07/505918407.db2.gz IOGBCBGPCPNKME-TZIWHRDSSA-N 2 0 374.573 3.273 20 0 FGADRP C[C@H](CCNC(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCCCC1 ZINC000194303728 497629240 /nfs/dbraw/zinc/62/92/40/497629240.db2.gz CTKZCFLBDUBYSO-TZIWHRDSSA-N 2 0 372.557 3.072 20 0 FGADRP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N(C)[C@@H]2CC[N@H+](C)C[C@H]2C)CC1 ZINC000246132466 497632123 /nfs/dbraw/zinc/63/21/23/497632123.db2.gz BBGRFBMUOVIIMV-DBXWQHBBSA-N 2 0 372.557 3.194 20 0 FGADRP CCOC[C@@H]1CC[NH+](Cc2cccc(C[N@H+]3CC[C@@H](COCC)C3)c2)C1 ZINC000246149226 497638826 /nfs/dbraw/zinc/63/88/26/497638826.db2.gz HCXRXZZUXUSDQW-FGZHOGPDSA-N 2 0 360.542 3.403 20 0 FGADRP CCC[N@H+](C)C[C@H]1CC[NH+](C[C@@H](O)Cc2ccc(C(F)(F)F)cc2)C1 ZINC000246155052 497639770 /nfs/dbraw/zinc/63/97/70/497639770.db2.gz WHUOPOFIDLBMQG-AEFFLSMTSA-N 2 0 358.448 3.273 20 0 FGADRP C=Cn1cc(C[NH2+]CCCOC2CC[NH+](Cc3ccccc3)CC2)cn1 ZINC000194353666 497641940 /nfs/dbraw/zinc/64/19/40/497641940.db2.gz XWOSTGBOKYGPIH-UHFFFAOYSA-N 2 0 354.498 3.145 20 0 FGADRP FC(F)(F)CCN1CCC([NH2+]CC2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000272487916 497642805 /nfs/dbraw/zinc/64/28/05/497642805.db2.gz BXVCODWLSCUYNC-UHFFFAOYSA-N 2 0 370.463 3.304 20 0 FGADRP C[C@@H]1C[C@H](N(C)C(=O)[C@@](C)([NH3+])c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000262928636 497658493 /nfs/dbraw/zinc/65/84/93/497658493.db2.gz SMEICFMDJSKYNS-AAIMPIBUSA-N 2 0 365.521 3.372 20 0 FGADRP Cc1cc(NC(=O)[C@H]2CCCC[C@@]2(C)[NH3+])ccc1OCC[NH+]1CCCC1 ZINC000262949010 497665019 /nfs/dbraw/zinc/66/50/19/497665019.db2.gz JJAXZLMIDKTYCR-WIYYLYMNSA-N 2 0 359.514 3.316 20 0 FGADRP COc1ccnc(C[N@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)c1OC ZINC000191034800 497688744 /nfs/dbraw/zinc/68/87/44/497688744.db2.gz ICRPYUHIBDLVBS-UHFFFAOYSA-N 2 0 370.497 3.232 20 0 FGADRP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@H]2O)CC1)CC3 ZINC000272707470 497708382 /nfs/dbraw/zinc/70/83/82/497708382.db2.gz ZYOLZRDFKINOQB-MQNAVGNWSA-N 2 0 367.537 3.301 20 0 FGADRP C[C@H](NC(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1)C1=CC[N@H+](C)CC1 ZINC000272721687 497712217 /nfs/dbraw/zinc/71/22/17/497712217.db2.gz JFJFWRQYMBPSJD-IRXDYDNUSA-N 2 0 358.530 3.065 20 0 FGADRP C[C@H](c1ccc(F)cc1)N(C)C(=O)C[N@@H+]1CC[C@@H](C)[C@@H](n2ccnc2)C1 ZINC000246380409 497714597 /nfs/dbraw/zinc/71/45/97/497714597.db2.gz ZMDNEHMNLSVOMV-MDZRGWNJSA-N 2 0 358.461 3.125 20 0 FGADRP COc1cccc2c1CC[C@H]2[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000272730715 497714909 /nfs/dbraw/zinc/71/49/09/497714909.db2.gz ILBQXRNQKYHDJP-SIKLNZKXSA-N 2 0 366.505 3.429 20 0 FGADRP C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)N3CCC[C@@H]([NH+](C)C)C3)cc2)C1 ZINC000246402904 497722317 /nfs/dbraw/zinc/72/23/17/497722317.db2.gz KADRFQKNWLKDDA-GHTZIAJQSA-N 2 0 372.557 3.154 20 0 FGADRP C[C@@H]1C[C@H](N(C)C(=O)[C@H]2CCCC[C@]2(C)[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000263173543 497724324 /nfs/dbraw/zinc/72/43/24/497724324.db2.gz GAOHCAHYCPELCV-RQGSJKACSA-N 2 0 357.542 3.406 20 0 FGADRP CC[NH+](CC)Cc1ccc(CNC(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000246482369 497748460 /nfs/dbraw/zinc/74/84/60/497748460.db2.gz VULMOYJEQOFEDH-PXNSSMCTSA-N 2 0 360.546 3.153 20 0 FGADRP C[C@H](C(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)[C@H]([NH3+])c1ccccc1 ZINC000263288642 497750165 /nfs/dbraw/zinc/75/01/65/497750165.db2.gz VSJBNBJQPBCWBE-VCOUNFBDSA-N 2 0 365.521 3.003 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NCc2cccc(C[NH+]3CCCC3)c2)[C@@H](C)C1 ZINC000246496975 497753604 /nfs/dbraw/zinc/75/36/04/497753604.db2.gz SFJVDPKVGJDYMX-RXVVDRJESA-N 2 0 372.557 3.154 20 0 FGADRP C[C@]1([NH3+])CCCC[C@H]1C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000263310248 497755008 /nfs/dbraw/zinc/75/50/08/497755008.db2.gz YLRXVWMQYKYJJI-ICSRJNTNSA-N 2 0 361.555 3.124 20 0 FGADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](CO)Cc2ccc(OC(F)(F)F)cc2)[C@@H](C)C1 ZINC000246505050 497755900 /nfs/dbraw/zinc/75/59/00/497755900.db2.gz STVPRECLRXBPJN-LESCRADOSA-N 2 0 374.447 3.056 20 0 FGADRP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)c1ccc(-n2ccnc2)cc1 ZINC000246510499 497759104 /nfs/dbraw/zinc/75/91/04/497759104.db2.gz UABMWBCCMGLZKI-MTNREXPMSA-N 3 0 368.525 3.291 20 0 FGADRP O=C(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC000194756315 497760935 /nfs/dbraw/zinc/76/09/35/497760935.db2.gz QFKSRINBYPDYKK-NHCUHLMSSA-N 2 0 369.553 3.279 20 0 FGADRP O[C@@H](Cc1ccccc1C(F)(F)F)C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000246521260 497761573 /nfs/dbraw/zinc/76/15/73/497761573.db2.gz CEBWXGUOKOPKIC-WMZOPIPTSA-N 2 0 370.459 3.417 20 0 FGADRP C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N2CCC[C@@H]([NH+](C)C)C2)C1 ZINC000246545599 497769755 /nfs/dbraw/zinc/76/97/55/497769755.db2.gz XXBLQHRSLFDVGH-GHTZIAJQSA-N 2 0 372.557 3.154 20 0 FGADRP OC[C@H]([NH2+]CCCCCC[NH2+][C@@H](CO)c1ccccc1)c1ccccc1 ZINC000273125255 497801732 /nfs/dbraw/zinc/80/17/32/497801732.db2.gz QKDITWXLDCZZNC-VXKWHMMOSA-N 2 0 356.510 3.193 20 0 FGADRP C[C@H](O)C[C@H](C[NH2+][C@H]1CCN(Cc2ccccn2)C[C@@H]1C)c1ccccc1 ZINC000246878082 497818210 /nfs/dbraw/zinc/81/82/10/497818210.db2.gz DHAKSWXETVLBAN-VKUXKFIQSA-N 2 0 367.537 3.436 20 0 FGADRP COCCOc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C(C)C)C2)cc1OC ZINC000246901093 497819584 /nfs/dbraw/zinc/81/95/84/497819584.db2.gz FHXRWMNIMCRFGO-MSOLQXFVSA-N 2 0 364.530 3.491 20 0 FGADRP C[C@H](CCc1ccc2c(c1)OCO2)[NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000246910662 497820049 /nfs/dbraw/zinc/82/00/49/497820049.db2.gz FWNPXHASBVRQIM-KURKYZTESA-N 2 0 362.514 3.215 20 0 FGADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccc(S(=O)(=O)C3CCCC3)cc2)C1 ZINC000246943908 497821552 /nfs/dbraw/zinc/82/15/52/497821552.db2.gz HTKJYCXHNLXZDQ-SJORKVTESA-N 2 0 364.555 3.395 20 0 FGADRP CC[NH+](CC)Cc1ccc(C[NH2+]Cc2cnnn2Cc2ccccc2)cc1 ZINC000291993126 497830816 /nfs/dbraw/zinc/83/08/16/497830816.db2.gz UBWPLVOJPFLYRS-UHFFFAOYSA-N 2 0 363.509 3.458 20 0 FGADRP C[C@@H]([NH2+]Cc1ccc(F)c(C[NH+](C)C)c1)c1ccc(C(=O)N(C)C)cc1 ZINC000292032487 497847926 /nfs/dbraw/zinc/84/79/26/497847926.db2.gz DNKMMMUXXGHBTK-OAHLLOKOSA-N 2 0 357.473 3.440 20 0 FGADRP CCCC[N@H+](C)C[C@H](C)NC(=O)c1ccc(C[NH+]2CCSCC2)cc1 ZINC000581223379 505936604 /nfs/dbraw/zinc/93/66/04/505936604.db2.gz OHJREPCJZYBDCX-KRWDZBQOSA-N 2 0 363.571 3.086 20 0 FGADRP CC(=O)N1CCC[C@@H](C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000280898721 497941991 /nfs/dbraw/zinc/94/19/91/497941991.db2.gz FPVMROPVLIMKKI-MYGLTJDJSA-N 2 0 355.526 3.030 20 0 FGADRP CC(C)C[C@H](CNC(=O)N1CCC[C@@H](C[NH3+])C1)[NH2+][C@@H](C)c1ccccc1 ZINC000581299836 505955730 /nfs/dbraw/zinc/95/57/30/505955730.db2.gz KFNPEMYGDXBDAS-CMKODMSKSA-N 2 0 360.546 3.132 20 0 FGADRP C[C@H]([NH2+]C1(CNC(=O)N2C[C@H](C[NH3+])C[C@H]2C)CCCC1)c1ccccc1 ZINC000581299983 505955865 /nfs/dbraw/zinc/95/58/65/505955865.db2.gz YOTOUKIUKOVCSO-SQNIBIBYSA-N 2 0 358.530 3.029 20 0 FGADRP O=C(Nc1cccc2c1CC[NH2+]C2)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000578502222 505956278 /nfs/dbraw/zinc/95/62/78/505956278.db2.gz ZTCIGJRJPCTKAD-NRFANRHFSA-N 2 0 364.493 3.291 20 0 FGADRP COC(=O)c1ccc(C[NH2+]Cc2ccc(OC3CC[NH+](C)CC3)cc2)cc1 ZINC000285050741 497980449 /nfs/dbraw/zinc/98/04/49/497980449.db2.gz LEHNDBBLNCTUEQ-UHFFFAOYSA-N 2 0 368.477 3.236 20 0 FGADRP C[NH+](C)[C@@H]1CCc2cc(NC(=O)N3CCc4ccccc4[C@H]3C[NH3+])ccc21 ZINC000575311801 505958238 /nfs/dbraw/zinc/95/82/38/505958238.db2.gz YTMMPQFEVMUZQT-NHCUHLMSSA-N 2 0 364.493 3.326 20 0 FGADRP Cc1cccc(NC2CCN([C@H](C)C(=O)Nc3cccnc3Cl)CC2)n1 ZINC000364595570 498041424 /nfs/dbraw/zinc/04/14/24/498041424.db2.gz OZQPRHJXUMUWFJ-CQSZACIVSA-N 2 0 373.888 3.342 20 0 FGADRP Cc1ccc([C@H](CNC(=O)N2CC(C)(C)[C@@H]2c2nccn2C)[NH+](C)C)cc1 ZINC000296435953 498042710 /nfs/dbraw/zinc/04/27/10/498042710.db2.gz TYSQDGQWTSKABW-ROUUACIJSA-N 2 0 369.513 3.124 20 0 FGADRP Cc1ccc(CN(C(=O)CN(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)C2CC2)cc1 ZINC000285418319 498078860 /nfs/dbraw/zinc/07/88/60/498078860.db2.gz GKLBTVXYORLNFK-WCRBZPEASA-N 2 0 355.526 3.043 20 0 FGADRP CCN(CC)[C@H](c1nc([C@H]2CN(C(C)C)CCO2)no1)c1ccccc1 ZINC000285461611 498093119 /nfs/dbraw/zinc/09/31/19/498093119.db2.gz QSHWMNSLPLANLY-MSOLQXFVSA-N 2 0 358.486 3.283 20 0 FGADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000296598607 498114748 /nfs/dbraw/zinc/11/47/48/498114748.db2.gz AIKKIACPCHRYCR-UHFFFAOYSA-N 2 0 372.557 3.297 20 0 FGADRP C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000285586320 498138584 /nfs/dbraw/zinc/13/85/84/498138584.db2.gz BCQIPDJHMVWXCB-RXVVDRJESA-N 2 0 355.526 3.371 20 0 FGADRP CCn1ccnc1[C@H](C)[NH2+]CCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000296698879 498158635 /nfs/dbraw/zinc/15/86/35/498158635.db2.gz HNWUVPULQXORCE-SFHVURJKSA-N 2 0 356.514 3.271 20 0 FGADRP CC[C@@H](C(=O)NC[C@H]1CCC[NH+](CC(C)C)C1)[N@H+](C)Cc1ccccc1 ZINC000572534514 505992020 /nfs/dbraw/zinc/99/20/20/505992020.db2.gz GSUCLYBMVHFHJK-RTWAWAEBSA-N 2 0 359.558 3.381 20 0 FGADRP C[C@@H](c1ccc(F)cc1F)[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000364947033 498223160 /nfs/dbraw/zinc/22/31/60/498223160.db2.gz UWHAYLHDSAZCIY-INIZCTEOSA-N 2 0 351.485 3.375 20 0 FGADRP C[N@@H+]1CCC[C@H](CNC(=O)CCCC[NH3+])[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000581486899 505999440 /nfs/dbraw/zinc/99/94/40/505999440.db2.gz INBXPRHVAXFWSU-QAPCUYQASA-N 2 0 371.447 3.334 20 0 FGADRP C[C@H]([NH2+]C[C@@H](O)COc1ccc(Cl)cc1Cl)C(C)(C)C[NH+](C)C ZINC000569715512 506000526 /nfs/dbraw/zinc/00/05/26/506000526.db2.gz NNVGVUMTHANFQA-GXTWGEPZSA-N 2 0 363.329 3.299 20 0 FGADRP COC(=O)c1csc([C@@H](C)[NH2+]Cc2ccc(-n3ccnc3C)nc2)c1 ZINC000286119638 498297565 /nfs/dbraw/zinc/29/75/65/498297565.db2.gz OATRPGGVOCOIBK-GFCCVEGCSA-N 2 0 356.451 3.275 20 0 FGADRP CC(C)c1nc(NC2CC[NH+](Cc3ccc(F)cc3)CC2)nc(N(C)C)n1 ZINC000301873298 498305917 /nfs/dbraw/zinc/30/59/17/498305917.db2.gz DMXXDZVYIFLHKW-UHFFFAOYSA-N 2 0 372.492 3.277 20 0 FGADRP CCC[NH+]1CCC(C[NH2+]C[C@@H](O)CO[C@@H]2CCCc3ccccc32)CC1 ZINC000578758885 506014363 /nfs/dbraw/zinc/01/43/63/506014363.db2.gz DFKVZOSUELVTAV-IFMALSPDSA-N 2 0 360.542 3.153 20 0 FGADRP C[C@@H]1CCN(C(=O)NCc2ccccc2C[NH+]2CCCCCC2)C[C@@H]1C[NH3+] ZINC000575853129 506018062 /nfs/dbraw/zinc/01/80/62/506018062.db2.gz BDFWPGSUCPSJPZ-NQIIRXRSSA-N 2 0 372.557 3.189 20 0 FGADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+]CCCC[NH+]2CCC[C@@H]2CO)CC1 ZINC000286253692 498341144 /nfs/dbraw/zinc/34/11/44/498341144.db2.gz UOIGMKBQRGPJGR-XPPIMPSXSA-N 3 0 373.585 3.256 20 0 FGADRP C[C@H]([NH2+]C(C)(C)CNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccccc1 ZINC000297178013 498345467 /nfs/dbraw/zinc/34/54/67/498345467.db2.gz JNKQRFGFRJDRLT-UXDRXVOSSA-N 2 0 358.530 3.040 20 0 FGADRP Cc1cnn([C@@H]2CC[NH+](CCCCC[N@H+]3CC[C@H](n4cc(C)cn4)C3)C2)c1 ZINC000289903330 498345898 /nfs/dbraw/zinc/34/58/98/498345898.db2.gz NNZJDZJIZISBGE-OYRHEFFESA-N 2 0 370.545 3.061 20 0 FGADRP Cc1cc([C@H](C)[NH2+]C[C@@H](C)CN2CC[NH+](C)CC2)sc1Br ZINC000286291580 498351884 /nfs/dbraw/zinc/35/18/84/498351884.db2.gz CBKRXQHBPXWPBR-OCCSQVGLSA-N 2 0 374.392 3.353 20 0 FGADRP CN(CC[N@H+](C)C1CCCCC1)C(=O)C1CC[NH+](Cc2cccnc2)CC1 ZINC000361366743 498380998 /nfs/dbraw/zinc/38/09/98/498380998.db2.gz KPUGPMAXBVUKII-UHFFFAOYSA-N 2 0 372.557 3.017 20 0 FGADRP CC[NH+](CC)CCC[N@@H+]1C[C@H]2CCC[C@@]2(c2nc(-c3cccnc3)no2)C1 ZINC000365352562 498420282 /nfs/dbraw/zinc/42/02/82/498420282.db2.gz ALHZUFWNKMAAIA-WIYYLYMNSA-N 2 0 369.513 3.217 20 0 FGADRP CN(CC1(C)CC[NH+](Cc2ccccc2)CC1)C(=O)CC[C@H]1CC[NH2+]C1 ZINC000361696434 498420255 /nfs/dbraw/zinc/42/02/55/498420255.db2.gz PLOVFFBSEHUALQ-IBGZPJMESA-N 2 0 357.542 3.137 20 0 FGADRP C[C@@H]1[C@@H]([NH2+]C2CCN(c3cc[nH+]cc3)CC2)CCN1Cc1ccccc1 ZINC000297373583 498424807 /nfs/dbraw/zinc/42/48/07/498424807.db2.gz HWXOVNFMRSUBJH-GCJKJVERSA-N 2 0 350.510 3.303 20 0 FGADRP C[NH+]1CCC2(CC1)C[C@@H](NC[C@H]1CC[N@@H+](C3CC3)C1)c1ccccc1O2 ZINC000361900790 498438111 /nfs/dbraw/zinc/43/81/11/498438111.db2.gz RIUCHQKBVGTOBT-YLJYHZDGSA-N 2 0 355.526 3.049 20 0 FGADRP C[C@@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)c1ccc(F)cc1OC(F)F ZINC000282407085 498499545 /nfs/dbraw/zinc/49/95/45/498499545.db2.gz RZYBYHPBZGRLBH-CYBMUJFWSA-N 2 0 359.436 3.104 20 0 FGADRP COc1ccc2c(c1F)CC[C@@H]2[NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000290319513 498507601 /nfs/dbraw/zinc/50/76/01/498507601.db2.gz OEGRYGCXZONRGT-IPMKNSEASA-N 2 0 362.489 3.179 20 0 FGADRP C[C@@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000297627954 498516723 /nfs/dbraw/zinc/51/67/23/498516723.db2.gz LUDQSTOJGDESBQ-GCJKJVERSA-N 2 0 350.510 3.161 20 0 FGADRP COc1cc(C[NH2+]CC2CC[NH+](CCC(C)C)CC2)cc(OC)c1O ZINC000290354586 498520829 /nfs/dbraw/zinc/52/08/29/498520829.db2.gz MGCAJQFTXDEFLC-UHFFFAOYSA-N 2 0 350.503 3.257 20 0 FGADRP CC(C)c1ccccc1NC(=O)C[C@H](C)[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000282516568 498542840 /nfs/dbraw/zinc/54/28/40/498542840.db2.gz ZJDUMNJBLYLPCS-SFHVURJKSA-N 2 0 374.573 3.143 20 0 FGADRP CC(C)([NH3+])c1nocc1C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000569940931 506053377 /nfs/dbraw/zinc/05/33/77/506053377.db2.gz JUIPCLMWKRSGGG-UHFFFAOYSA-N 2 0 356.470 3.149 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccc(C(C)(F)F)cc1 ZINC000581732904 506056204 /nfs/dbraw/zinc/05/62/04/506056204.db2.gz UZXOEAPGJVGFDE-SFHVURJKSA-N 2 0 367.484 3.286 20 0 FGADRP C[C@H](C[NH2+][C@@H](C)c1ccc(Oc2ccccc2)cn1)N1CC[NH+](C)CC1 ZINC000297842327 498584533 /nfs/dbraw/zinc/58/45/33/498584533.db2.gz SMNDMCAFIUXJTQ-MSOLQXFVSA-N 2 0 354.498 3.160 20 0 FGADRP CC(C)(CO)[C@@H](C[NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1ccccc1 ZINC000294097174 498587089 /nfs/dbraw/zinc/58/70/89/498587089.db2.gz BQYICXMLZCNZAU-NRFANRHFSA-N 2 0 353.510 3.442 20 0 FGADRP [NH3+][C@@H]1CCC[C@H](C[NH2+][C@@H]2CCCC[C@@H](N3C(=O)c4ccccc4C3=O)C2)C1 ZINC000572832874 506063311 /nfs/dbraw/zinc/06/33/11/506063311.db2.gz FRWJBCJWVPHLEV-BSDSXHPESA-N 2 0 369.509 3.091 20 0 FGADRP C[C@@H]([NH2+]CCC(=O)Nc1ccc(Br)cc1)C1=CC[N@H+](C)CC1 ZINC000581813435 506067443 /nfs/dbraw/zinc/06/74/43/506067443.db2.gz HQLRALXWOWOOPB-CYBMUJFWSA-N 2 0 366.303 3.018 20 0 FGADRP CC1CC[NH+](CCc2cccc(NC(=O)N3CC[C@@H]([NH3+])[C@@H](C)C3)c2)CC1 ZINC000570027100 506072299 /nfs/dbraw/zinc/07/22/99/506072299.db2.gz SXZCXMUIOLKXIT-FXAWDEMLSA-N 2 0 358.530 3.162 20 0 FGADRP c1cc(N2CCC([NH2+]Cc3ccc(N4CCCCC4)nc3)CC2)cc[nH+]1 ZINC000298252803 498709839 /nfs/dbraw/zinc/70/98/39/498709839.db2.gz DPDTZPWGVOGHAT-UHFFFAOYSA-N 2 0 351.498 3.226 20 0 FGADRP C[NH+](C)CC1CCC([NH2+]Cc2cn3ccc(Br)cc3n2)CC1 ZINC000579043656 506081303 /nfs/dbraw/zinc/08/13/03/506081303.db2.gz VIPZRRJUJMISLP-UHFFFAOYSA-N 2 0 365.319 3.307 20 0 FGADRP c1cc(-c2ccc(C[NH2+]C[C@H]3CCCN(Cc4cccnc4)C3)o2)n[nH]1 ZINC000366045438 498747109 /nfs/dbraw/zinc/74/71/09/498747109.db2.gz SHXCHVSAWLWOHV-QGZVFWFLSA-N 2 0 351.454 3.067 20 0 FGADRP CC(C)(C)OC(=O)N1CC[C@H](CC[NH2+]C2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000298443938 498774006 /nfs/dbraw/zinc/77/40/06/498774006.db2.gz NNTZDBGQCYKRQU-KRWDZBQOSA-N 2 0 374.529 3.287 20 0 FGADRP C[C@H]([NH3+])c1ccc(CNC(=O)NC2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000572944215 506088885 /nfs/dbraw/zinc/08/88/85/506088885.db2.gz FOMNYCICPZKNKQ-INIZCTEOSA-N 2 0 358.530 3.303 20 0 FGADRP C[C@@H]([NH2+]CC1CCN(c2cc[nH+]cc2)CC1)c1cccc(-n2ccnn2)c1 ZINC000287583159 498803670 /nfs/dbraw/zinc/80/36/70/498803670.db2.gz HNOSOCKQHDDKJY-QGZVFWFLSA-N 2 0 362.481 3.230 20 0 FGADRP O=C(c1ccccc1)N1CC[C@H](C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)C1 ZINC000283167746 498804149 /nfs/dbraw/zinc/80/41/49/498804149.db2.gz PIDKRZBWGPDQRU-SYYKKAFVSA-N 2 0 367.537 3.097 20 0 FGADRP O=C(CC[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)Nc1c(Cl)cccc1Cl ZINC000323901001 498824998 /nfs/dbraw/zinc/82/49/98/498824998.db2.gz QNIWXRHXVKYXPI-BETUJISGSA-N 2 0 356.297 3.253 20 0 FGADRP O=C(c1ccc(Oc2ccncc2)c(Cl)c1)N1CCNC[C@H]1C(F)F ZINC000579113746 506097067 /nfs/dbraw/zinc/09/70/67/506097067.db2.gz VCEHOMCUSHUJMC-AWEZNQCLSA-N 2 0 367.783 3.206 20 0 FGADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H]1CCS(=O)(=O)c2ccc(F)cc21 ZINC000324936323 498832737 /nfs/dbraw/zinc/83/27/37/498832737.db2.gz YZPVOVASBRWFEN-WMLDXEAASA-N 2 0 356.507 3.144 20 0 FGADRP CCn1ccnc1[C@@H](C)NC(=O)NCC[NH+]1CCC2(CCCCC2)CC1 ZINC000570137925 506099119 /nfs/dbraw/zinc/09/91/19/506099119.db2.gz KAOHFSOXTBVREL-QGZVFWFLSA-N 2 0 361.534 3.310 20 0 FGADRP CC1CC[NH+](CCC[C@@H]([NH2+]CCn2cncn2)c2ccc(F)cc2)CC1 ZINC000291219247 498848930 /nfs/dbraw/zinc/84/89/30/498848930.db2.gz NGJBZCQOXXOEME-HXUWFJFHSA-N 2 0 359.493 3.260 20 0 FGADRP CC1(c2ccccc2)CCC([NH2+][C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)CC1 ZINC000333127549 498909114 /nfs/dbraw/zinc/90/91/14/498909114.db2.gz JDKVMCPKVQPQFM-SOSXJGDFSA-N 2 0 369.553 3.123 20 0 FGADRP C[NH+](C)Cc1cc(C[NH2+]CCC(=O)Nc2cc(F)cc(F)c2)ccc1F ZINC000570201901 506114296 /nfs/dbraw/zinc/11/42/96/506114296.db2.gz MTJPLVSIPBTIBG-UHFFFAOYSA-N 2 0 365.399 3.284 20 0 FGADRP C[NH+]1CCC2(CC1)C[C@H]([NH2+]CCCC[NH+]1CCCC1)c1ccccc1O2 ZINC000366522210 498964609 /nfs/dbraw/zinc/96/46/09/498964609.db2.gz MMAYBFZOWUXUOY-FQEVSTJZSA-N 3 0 357.542 3.440 20 0 FGADRP C[NH+](C)Cc1ccc(NC(=O)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c(F)c1 ZINC000576291957 506123337 /nfs/dbraw/zinc/12/33/37/506123337.db2.gz XVAAOEVRCRFBJE-GOSISDBHSA-N 2 0 355.457 3.348 20 0 FGADRP C[NH+](C)[C@H](CNC(=O)CC1CC[NH+](C)CC1)c1cccc(C(F)(F)F)c1 ZINC000291663374 499028539 /nfs/dbraw/zinc/02/85/39/499028539.db2.gz KXZMLBNHCIAZBK-QGZVFWFLSA-N 2 0 371.447 3.156 20 0 FGADRP CC(=O)N1CC[C@H]([NH2+]CC2(C[NH+](C)C)CCCC2)c2ccc(F)cc2C1 ZINC000366731541 499052498 /nfs/dbraw/zinc/05/24/98/499052498.db2.gz GJXQNLKGHGIKTH-FQEVSTJZSA-N 2 0 361.505 3.331 20 0 FGADRP Cc1ccc2[nH]c([C@H]3CCC[N@H+]3CCCN3CC[NH+](C(C)C)CC3)nc2c1 ZINC000295684347 499080010 /nfs/dbraw/zinc/08/00/10/499080010.db2.gz CQOZXKVCERIVBQ-OAQYLSRUSA-N 2 0 369.557 3.424 20 0 FGADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]C2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)C1 ZINC000570293458 506135331 /nfs/dbraw/zinc/13/53/31/506135331.db2.gz LILBDDBTISXPDA-UKRRQHHQSA-N 2 0 369.431 3.170 20 0 FGADRP Cc1ccc(CCCC(=O)N(C)[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)s1 ZINC000364175087 499127637 /nfs/dbraw/zinc/12/76/37/499127637.db2.gz HJIQRYWQGAQENB-SFHVURJKSA-N 2 0 363.571 3.006 20 0 FGADRP c1nc([C@@H]2CCC[N@@H+](CC3CCC4(CC3)OCCO4)C2)n2c1CCCC2 ZINC000367057949 499141428 /nfs/dbraw/zinc/14/14/28/499141428.db2.gz OSHOWVHRQFVNKJ-GOSISDBHSA-N 2 0 359.514 3.332 20 0 FGADRP C[C@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1cccc(Br)c1 ZINC000369882888 499144573 /nfs/dbraw/zinc/14/45/73/499144573.db2.gz NYKFUTGPHAHLDB-WMLDXEAASA-N 2 0 366.347 3.268 20 0 FGADRP CC(=O)c1c(C)cc(C)c(C[N@H+]2CCC[C@@H](CN3CC[NH+](C)CC3)C2)c1C ZINC000367108536 499150206 /nfs/dbraw/zinc/15/02/06/499150206.db2.gz FPPFPAGPKJWKIL-NRFANRHFSA-N 2 0 371.569 3.274 20 0 FGADRP C[NH+](C)CCc1ccc(C(=O)N(CC[NH+](C)C)Cc2cccs2)cc1 ZINC000579270230 506133114 /nfs/dbraw/zinc/13/31/14/506133114.db2.gz YFSJBIMBXHLOLT-UHFFFAOYSA-N 2 0 359.539 3.056 20 0 FGADRP Cc1ccc([C@@H]2CSCC[N@H+]2CCCN2CC[NH+](C(C)C)CC2)o1 ZINC000370017539 499167147 /nfs/dbraw/zinc/16/71/47/499167147.db2.gz FSMGBSIYVBXXPV-SFHVURJKSA-N 2 0 351.560 3.094 20 0 FGADRP C[N@H+](C[C@H]1CC12CC[NH+](C[C@@H](O)c1cc(F)ccc1F)CC2)C1CC1 ZINC000367310755 499178901 /nfs/dbraw/zinc/17/89/01/499178901.db2.gz UYPKAJDWMRDTAD-AUUYWEPGSA-N 2 0 350.453 3.195 20 0 FGADRP C[C@@H]1C[NH+](CCCC[NH2+]Cc2cccc(-c3cnn(C)c3)c2)C[C@@H](C)O1 ZINC000372841101 499182838 /nfs/dbraw/zinc/18/28/38/499182838.db2.gz WXPPNJGKVJPYRD-QZTJIDSGSA-N 2 0 356.514 3.066 20 0 FGADRP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(NC(=O)c3ccco3)cc2)[C@@H]2CCC[C@@H]21 ZINC000367617745 499218274 /nfs/dbraw/zinc/21/82/74/499218274.db2.gz RFOQIXKTHNMDRD-FHWLQOOXSA-N 2 0 353.466 3.494 20 0 FGADRP CC[NH+]1CCN([C@@H](C)C[NH2+]C2CCC([N@H+](C)Cc3ccccc3)CC2)CC1 ZINC000367618192 499218668 /nfs/dbraw/zinc/21/86/68/499218668.db2.gz SBURSLOBGLDVIL-RBKXMNCYSA-N 3 0 372.601 3.045 20 0 FGADRP Cc1ccc(OC(F)F)c([C@H](C)[NH2+][C@@H]2CCN(C3CC[NH+](C)CC3)C2)c1 ZINC000370623978 499236842 /nfs/dbraw/zinc/23/68/42/499236842.db2.gz FCDXEDPXEMAXOA-JKSUJKDBSA-N 2 0 367.484 3.416 20 0 FGADRP C[NH+]1CCC(N2CC[C@H]([NH2+][C@H]3CC4(CCC4)Oc4ccccc43)C2)CC1 ZINC000370636704 499238316 /nfs/dbraw/zinc/23/83/16/499238316.db2.gz SDTTZOUADGPKBP-PXNSSMCTSA-N 2 0 355.526 3.191 20 0 FGADRP Cc1cn2c(n1)[C@H](C[NH2+]Cc1cn(-c3ccc(F)cc3Cl)nn1)CCC2 ZINC000370676179 499243192 /nfs/dbraw/zinc/24/31/92/499243192.db2.gz IUINJEATDDVLLZ-ZDUSSCGKSA-N 2 0 374.851 3.232 20 0 FGADRP C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000370676625 499243418 /nfs/dbraw/zinc/24/34/18/499243418.db2.gz MOROMUSSFUTGSW-BPQIPLTHSA-N 2 0 363.933 3.293 20 0 FGADRP C[C@@H]1CN(Cc2ccccc2OC(F)(F)F)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000370696472 499245057 /nfs/dbraw/zinc/24/50/57/499245057.db2.gz BZXYTWBPRKILBD-NVXWUHKLSA-N 2 0 371.447 3.043 20 0 FGADRP C[C@@H](NC(=O)NCCCC[NH+]1CCCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000367932436 499246811 /nfs/dbraw/zinc/24/68/11/499246811.db2.gz RZXHESKHUDHUEN-CTNGQTDRSA-N 2 0 372.557 3.072 20 0 FGADRP C[C@@H]1CN(Cc2ccc(F)c(C(F)(F)F)c2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000370710854 499246884 /nfs/dbraw/zinc/24/68/84/499246884.db2.gz VFURLKMYOWXFSX-RDTXWAMCSA-N 2 0 373.438 3.302 20 0 FGADRP COCCOCc1ccc(C[NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000367970828 499250834 /nfs/dbraw/zinc/25/08/34/499250834.db2.gz SMHUZEIDHWWOLX-QHCPKHFHSA-N 2 0 368.521 3.461 20 0 FGADRP C[C@H]1C[C@H](CNC(=O)c2ccccc2C[NH+](C)C)C[N@@H+]1Cc1ccccc1 ZINC000368213419 499274476 /nfs/dbraw/zinc/27/44/76/499274476.db2.gz KXGBIHJHQARMOY-AZUAARDMSA-N 2 0 365.521 3.389 20 0 FGADRP FC(F)Cn1cc(C[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)cn1 ZINC000368319275 499284824 /nfs/dbraw/zinc/28/48/24/499284824.db2.gz WEBZPDWQGDFRRT-GBESFXJTSA-N 2 0 360.452 3.148 20 0 FGADRP C[NH+]1CCC2(CC1)C[C@@H]([NH2+]C[C@@H]1CCCn3ccnc31)c1ccccc1O2 ZINC000368361952 499288911 /nfs/dbraw/zinc/28/89/11/499288911.db2.gz DTNRBUJQBJLYMT-PKOBYXMFSA-N 2 0 366.509 3.338 20 0 FGADRP C[C@]1(CN[C@@H](c2ncc[nH]2)c2ccncc2)CC[N@H+](Cc2ccccc2)C1 ZINC000368529487 499304819 /nfs/dbraw/zinc/30/48/19/499304819.db2.gz BTTBGNQKMZTVAZ-IFMALSPDSA-N 2 0 361.493 3.396 20 0 FGADRP C[N@H+](C[C@@H]1CC12CC[NH+](Cc1nccn1CC(F)(F)F)CC2)C1CC1 ZINC000371329848 499311088 /nfs/dbraw/zinc/31/10/88/499311088.db2.gz OOHZRPCKCPFPPN-AWEZNQCLSA-N 2 0 356.436 3.142 20 0 FGADRP C[N@H+](C[C@H]1CC12CC[NH+](Cc1nccn1CC(F)(F)F)CC2)C1CC1 ZINC000371329849 499311326 /nfs/dbraw/zinc/31/13/26/499311326.db2.gz OOHZRPCKCPFPPN-CQSZACIVSA-N 2 0 356.436 3.142 20 0 FGADRP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](Cc3cc(Cl)cc4cccnc43)C2)CC1 ZINC000369396914 499399475 /nfs/dbraw/zinc/39/94/75/499399475.db2.gz BPFMCBBZYFAPOA-HXUWFJFHSA-N 2 0 372.944 3.489 20 0 FGADRP CN1CCC([NH+]2CCC(CC[N@H+](C)CCCC3CCOCC3)CC2)CC1 ZINC000372128159 499401647 /nfs/dbraw/zinc/40/16/47/499401647.db2.gz JNFFZIGYAXSZSD-UHFFFAOYSA-N 2 0 365.606 3.321 20 0 FGADRP CCn1c(CN[C@@H]2CC[N@H+](C[C@H]3CCCO3)C[C@@H]2C)nc2cc(F)ccc21 ZINC000372352932 499423979 /nfs/dbraw/zinc/42/39/79/499423979.db2.gz ASEGJHZGIJPJIY-CGTJXYLNSA-N 2 0 374.504 3.174 20 0 FGADRP CC(=O)c1c(C)cc(C)c(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)c1C ZINC000369767128 499441771 /nfs/dbraw/zinc/44/17/71/499441771.db2.gz QHKHLZNXFAHYHI-GCJKJVERSA-N 2 0 371.569 3.272 20 0 FGADRP C[NH+]1CCC(CC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC000373252300 499459950 /nfs/dbraw/zinc/45/99/50/499459950.db2.gz MNCWMVKAQPSTMB-SEJPIABJSA-N 2 0 355.526 3.030 20 0 FGADRP CCC[NH+]1CCC(N2CCN(CCC(Cl)(Cl)Cl)CC2)CC1 ZINC000373345946 499464651 /nfs/dbraw/zinc/46/46/51/499464651.db2.gz HKDFPKMQEVSVPC-UHFFFAOYSA-N 2 0 356.769 3.239 20 0 FGADRP COc1ccccc1-n1nccc1C[NH2+]C[C@@H]1CCCn2cc(C)nc21 ZINC000373776152 499487472 /nfs/dbraw/zinc/48/74/72/499487472.db2.gz FTARQJMEMBNXGN-INIZCTEOSA-N 2 0 351.454 3.053 20 0 FGADRP O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)c1cccn1C1CC[NH2+]CC1 ZINC000378212625 499490619 /nfs/dbraw/zinc/49/06/19/499490619.db2.gz VXMCNPSEEJHCBX-SFHVURJKSA-N 2 0 372.538 3.041 20 0 FGADRP Cc1ncc(CN2CC[C@@H]([NH2+]CCC[NH+]3CCCCC3)[C@H](C)C2)s1 ZINC000375484589 499524296 /nfs/dbraw/zinc/52/42/96/499524296.db2.gz BVDAMXZEKUBYFX-VQIMIIECSA-N 3 0 350.576 3.128 20 0 FGADRP Cc1ncc(CN2CC[C@@H]([NH2+]CCC[NH+]3CCCCC3)[C@@H](C)C2)s1 ZINC000375484587 499524547 /nfs/dbraw/zinc/52/45/47/499524547.db2.gz BVDAMXZEKUBYFX-QFBILLFUSA-N 3 0 350.576 3.128 20 0 FGADRP C[C@H](C(=O)N1CCC[N@H+](Cc2ccccc2)C[C@H]1C)[C@@H]([NH3+])c1ccccc1 ZINC000382766716 499545942 /nfs/dbraw/zinc/54/59/42/499545942.db2.gz VYQZYAKNTYFJFW-XQBPLPMBSA-N 2 0 365.521 3.446 20 0 FGADRP COc1cc(Br)c(C[NH2+]CC2(C)CC[NH+](C)CC2)cc1OC ZINC000389031237 499552209 /nfs/dbraw/zinc/55/22/09/499552209.db2.gz ONOMSCNTVNJJIU-UHFFFAOYSA-N 2 0 371.319 3.288 20 0 FGADRP CC(C)c1nc2c([nH]1)C[C@H](C(=O)NC[C@@H](c1ccccc1)[NH+](C)C)CC2 ZINC000376059882 499579793 /nfs/dbraw/zinc/57/97/93/499579793.db2.gz YTBYNCWPUFWLKX-APWZRJJASA-N 2 0 354.498 3.057 20 0 FGADRP C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@@H]1[NH2+]CCc1ccccc1OC(F)F ZINC000376417074 499607267 /nfs/dbraw/zinc/60/72/67/499607267.db2.gz WLWXAYGQBROETK-NXHRZFHOSA-N 2 0 368.468 3.310 20 0 FGADRP [NH3+]Cc1ccc(C[NH2+]C2CCN(C(=O)c3ccccc3Cl)CC2)cc1 ZINC000582181101 506153162 /nfs/dbraw/zinc/15/31/62/506153162.db2.gz GHBWORCIMRRATQ-UHFFFAOYSA-N 2 0 357.885 3.193 20 0 FGADRP Cc1nc(CNC(=O)N[C@H](C)[C@H](c2ccccc2)[NH+](C)C)c2n1CCCC2 ZINC000376886125 499643578 /nfs/dbraw/zinc/64/35/78/499643578.db2.gz GIILVCSITBHYIX-FOIQADDNSA-N 2 0 369.513 3.018 20 0 FGADRP CN1CC[NH+](CC2CC[NH+](Cc3cnc(C4CCCC4)s3)CC2)CC1 ZINC000377634638 499713437 /nfs/dbraw/zinc/71/34/37/499713437.db2.gz YBHVQDWHXRMAKP-UHFFFAOYSA-N 2 0 362.587 3.260 20 0 FGADRP CN1CC[NH+](CC2(C)CC[NH+](C/C=C/c3ccc(F)c(F)c3)CC2)CC1 ZINC000377689325 499720243 /nfs/dbraw/zinc/72/02/43/499720243.db2.gz DPWQCKIKHPQXSZ-ONEGZZNKSA-N 2 0 363.496 3.328 20 0 FGADRP CN1CCN([C@@H]2CCCC[N@H+](Cc3cnc(C4CCCC4)s3)C2)CC1 ZINC000377689440 499720325 /nfs/dbraw/zinc/72/03/25/499720325.db2.gz BPRPFOVBACTPDD-GOSISDBHSA-N 2 0 362.587 3.403 20 0 FGADRP CCCNC(=O)CCC[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000411306024 499724269 /nfs/dbraw/zinc/72/42/69/499724269.db2.gz KRPNSAGLYVMYBB-JOCHJYFZSA-N 2 0 357.542 3.281 20 0 FGADRP CC(C)Oc1cccc([C@H](C)[NH2+]CC(=O)NC2CC[NH+](C(C)C)CC2)c1 ZINC000411440638 499740641 /nfs/dbraw/zinc/74/06/41/499740641.db2.gz BZDYCHNDSKILPB-KRWDZBQOSA-N 2 0 361.530 3.113 20 0 FGADRP CN(Cc1nccn1Cc1ccccc1)C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC000377928416 499748769 /nfs/dbraw/zinc/74/87/69/499748769.db2.gz YNUJXBXCUYARPK-OAQYLSRUSA-N 2 0 372.488 3.102 20 0 FGADRP c1cc(C[N@@H+]2CCOCC3(CCOCC3)C2)ccc1C[NH+]1CCCCC1 ZINC000411517153 499750507 /nfs/dbraw/zinc/75/05/07/499750507.db2.gz ZUPONVBZPGSLMV-UHFFFAOYSA-N 2 0 358.526 3.302 20 0 FGADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(C[NH2+]Cc2cnc(N(C)C)n2C)cc1 ZINC000414281376 499773893 /nfs/dbraw/zinc/77/38/93/499773893.db2.gz FVIKKELYVCVCJP-KRWDZBQOSA-N 2 0 355.530 3.150 20 0 FGADRP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1)C1CCCCC1 ZINC000414326932 499778195 /nfs/dbraw/zinc/77/81/95/499778195.db2.gz ODFUMSIRSOLDRX-KRWDZBQOSA-N 2 0 357.542 3.442 20 0 FGADRP CC[C@H]([NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1)[C@H]1CC1(C)C ZINC000414337876 499778835 /nfs/dbraw/zinc/77/88/35/499778835.db2.gz JWDSSESYRUIJJA-UXHICEINSA-N 2 0 357.542 3.298 20 0 FGADRP Cc1occc1C[NH2+]Cc1cccc(OCC[N@@H+](C)C2CCOCC2)c1 ZINC000414337196 499778922 /nfs/dbraw/zinc/77/89/22/499778922.db2.gz IQYOWAGXIQTOLY-UHFFFAOYSA-N 2 0 358.482 3.367 20 0 FGADRP C[C@@H]1CC[C@@H](C)[C@H]([NH2+]Cc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)C1 ZINC000414342336 499779358 /nfs/dbraw/zinc/77/93/58/499779358.db2.gz PEJUZXZCSAHVGK-CBGDNZLLSA-N 2 0 357.542 3.298 20 0 FGADRP CC(=O)NCC[C@H]1CCC[N@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000411739507 499784829 /nfs/dbraw/zinc/78/48/29/499784829.db2.gz NOMZFVHHQWLJSH-HXUWFJFHSA-N 2 0 357.542 3.411 20 0 FGADRP Cc1nn(-c2cccc(F)c2)cc1C[NH2+]CCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000414394084 499785775 /nfs/dbraw/zinc/78/57/75/499785775.db2.gz OVNDSTKPBVXNCW-IRXDYDNUSA-N 2 0 374.504 3.299 20 0 FGADRP C[C@H](CC[NH+]1CCC[C@@]2(CCOC2)C1)CC[N@@H+]1CCC[C@]2(CCOC2)C1 ZINC000411804513 499792570 /nfs/dbraw/zinc/79/25/70/499792570.db2.gz RLSLMZVHIFSOIJ-DKUWSORSSA-N 2 0 364.574 3.408 20 0 FGADRP CCc1ccc(C[NH2+]Cc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)cc1 ZINC000414558981 499809141 /nfs/dbraw/zinc/80/91/41/499809141.db2.gz TZZOWQWGFYVMNT-UHFFFAOYSA-N 2 0 365.521 3.236 20 0 FGADRP CC[NH+]1CCC(NC(=O)C[N@H+](C)[C@@H]2CCCC[C@@H]2c2ccccc2)CC1 ZINC000411997461 499811528 /nfs/dbraw/zinc/81/15/28/499811528.db2.gz IAMLXJHOLZDUSK-NHCUHLMSSA-N 2 0 357.542 3.245 20 0 FGADRP O=C(c1cccc(C[NH+]2CCCCC2)c1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000412050551 499817218 /nfs/dbraw/zinc/81/72/18/499817218.db2.gz YRZLDBDNZCJIRX-OAQYLSRUSA-N 2 0 355.526 3.373 20 0 FGADRP [NH3+]CC(=O)N1CCC[C@H](C[NH+](Cc2cccs2)Cc2cccs2)C1 ZINC000414679193 499820026 /nfs/dbraw/zinc/82/00/26/499820026.db2.gz LKVLYZOIPYVYQB-OAHLLOKOSA-N 2 0 363.552 3.009 20 0 FGADRP Cc1ccccc1C[N@@H+](Cc1ccccc1)C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414708954 499821763 /nfs/dbraw/zinc/82/17/63/499821763.db2.gz QQIIQQHPLLMQGS-NRFANRHFSA-N 2 0 365.521 3.195 20 0 FGADRP C[C@H]1C[C@H](C[NH+]2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)CC[NH2+]1 ZINC000414735146 499824763 /nfs/dbraw/zinc/82/47/63/499824763.db2.gz LXMJPAWZTDZKHF-UONOGXRCSA-N 2 0 370.324 3.139 20 0 FGADRP CCC[N@H+](C[C@H]1CC[NH2+][C@@H](C)C1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000414755161 499827258 /nfs/dbraw/zinc/82/72/58/499827258.db2.gz YZQLEODARXVCSQ-OALUTQOASA-N 2 0 357.542 3.391 20 0 FGADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)c2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000412145880 499827833 /nfs/dbraw/zinc/82/78/33/499827833.db2.gz DJZOUGGKUHUQCR-HXUWFJFHSA-N 2 0 357.542 3.476 20 0 FGADRP C(=C/c1ccc(OCc2ccccc2)cc1)\C[NH2+]CCCN1CC[NH2+]CC1 ZINC000414789086 499831240 /nfs/dbraw/zinc/83/12/40/499831240.db2.gz DXEQAVCNVNWEGL-XBXARRHUSA-N 2 0 365.521 3.164 20 0 FGADRP COc1ccc(Br)cc1C[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414788510 499831359 /nfs/dbraw/zinc/83/13/59/499831359.db2.gz WTVPPHCUVHPUAR-ZIAGYGMSSA-N 2 0 353.304 3.279 20 0 FGADRP C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000414834834 499835952 /nfs/dbraw/zinc/83/59/52/499835952.db2.gz HXVMXKBVRMMQHB-ZIAGYGMSSA-N 2 0 357.420 3.402 20 0 FGADRP COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000414848309 499837486 /nfs/dbraw/zinc/83/74/86/499837486.db2.gz GLNZKTWAAMOYFK-MELADBBJSA-N 2 0 353.894 3.043 20 0 FGADRP Clc1ccc(Cl)c(-c2csc(C[NH2+]CCN3CC[NH2+]CC3)n2)c1 ZINC000414874757 499839974 /nfs/dbraw/zinc/83/99/74/499839974.db2.gz ZBTSMCVFJLOOOO-UHFFFAOYSA-N 2 0 371.337 3.112 20 0 FGADRP C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+]CC1(C)CC[NH2+]CC1 ZINC000414896701 499842591 /nfs/dbraw/zinc/84/25/91/499842591.db2.gz CNXBBZNOBUONCZ-CYBMUJFWSA-N 2 0 368.319 3.146 20 0 FGADRP C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]C[C@@]1(C)CCC[NH2+]C1 ZINC000414899233 499842898 /nfs/dbraw/zinc/84/28/98/499842898.db2.gz CITWHVWEAQRITF-DYVFJYSZSA-N 2 0 357.420 3.402 20 0 FGADRP C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]CC1(C)CC[NH2+]CC1 ZINC000414902584 499843343 /nfs/dbraw/zinc/84/33/43/499843343.db2.gz KUKJIHCLXDQBOH-ZDUSSCGKSA-N 2 0 357.420 3.402 20 0 FGADRP COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]C[C@]1(C)CCC[NH2+]C1 ZINC000414902225 499843397 /nfs/dbraw/zinc/84/33/97/499843397.db2.gz GYGWWULQSFIPIP-SCLBCKFNSA-N 2 0 353.894 3.045 20 0 FGADRP CCOc1cc(C[NH2+]CCCC[NH3+])cc(Br)c1OC(F)F ZINC000414901690 499843416 /nfs/dbraw/zinc/84/34/16/499843416.db2.gz JCRUDEGMQWKGJJ-UHFFFAOYSA-N 2 0 367.234 3.278 20 0 FGADRP CCc1nn(C)c(CC)c1CN[C@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000414936948 499846415 /nfs/dbraw/zinc/84/64/15/499846415.db2.gz BXAKWZGCFCBJDJ-LIRRHRJNSA-N 2 0 362.468 3.058 20 0 FGADRP O=C(Nc1ccc(CC[NH+]2CCCCC2)cc1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000414968906 499849939 /nfs/dbraw/zinc/84/99/39/499849939.db2.gz DGXXSIQEBQBVDC-UXHICEINSA-N 2 0 356.514 3.073 20 0 FGADRP Cc1cc(Br)cn2c(C[NH2+]CCC[C@@H]3CCC[NH2+]3)cnc12 ZINC000414979955 499850926 /nfs/dbraw/zinc/85/09/26/499850926.db2.gz VUBKHNQRJLLLBB-CQSZACIVSA-N 2 0 351.292 3.027 20 0 FGADRP [NH3+][C@H]1CCC[C@H](C[NH2+]Cc2cc(Br)c3c(c2)OCCCO3)C1 ZINC000414987291 499851796 /nfs/dbraw/zinc/85/17/96/499851796.db2.gz DLHCIGGTVNPGPU-JSGCOSHPSA-N 2 0 369.303 3.218 20 0 FGADRP [NH3+][C@@H]1CCC[C@H](C[NH2+]Cc2cn(-c3ccc(Cl)c(Cl)c3)nn2)C1 ZINC000414993093 499852675 /nfs/dbraw/zinc/85/26/75/499852675.db2.gz CDRPUWJYKLNVJT-NWDGAFQWSA-N 2 0 354.285 3.181 20 0 FGADRP C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+]C[C@H]1CCC[C@H]([NH3+])C1 ZINC000415003978 499854055 /nfs/dbraw/zinc/85/40/55/499854055.db2.gz NOGQODFYESDIAA-IPYPFGDCSA-N 2 0 368.319 3.273 20 0 FGADRP C[C@H](Cc1ccc(Br)cc1F)[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000415006969 499854244 /nfs/dbraw/zinc/85/42/44/499854244.db2.gz KWQFEAZLDNNFBD-XQAQDONZSA-N 2 0 355.295 3.497 20 0 FGADRP C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]C[C@H]1CC[C@H](C[NH3+])CC1 ZINC000415022230 499855758 /nfs/dbraw/zinc/85/57/58/499855758.db2.gz IOOCVOZCPSKBBT-BRWVUGGUSA-N 2 0 365.949 3.432 20 0 FGADRP COc1cc(Br)c(C[NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)c(OC)c1 ZINC000415026835 499856208 /nfs/dbraw/zinc/85/62/08/499856208.db2.gz UYPLPKFXBFJGLB-JOCQHMNTSA-N 2 0 371.319 3.321 20 0 FGADRP c1nc(-c2ccccc2)sc1C[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000415055834 499859071 /nfs/dbraw/zinc/85/90/71/499859071.db2.gz OYUWLXHQHXBAII-UHFFFAOYSA-N 2 0 356.539 3.116 20 0 FGADRP CCCOc1c(Br)cc(C[NH2+][C@H](C)CCC[NH3+])cc1OC ZINC000415059383 499859259 /nfs/dbraw/zinc/85/92/59/499859259.db2.gz JBJILAXGAHCRRJ-GFCCVEGCSA-N 2 0 359.308 3.464 20 0 FGADRP CCN1CC[C@H]([NH2+]C2CCC(C[NH3+])CC2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000415106707 499864373 /nfs/dbraw/zinc/86/43/73/499864373.db2.gz NEJOHRULHMMAAV-ZQJHNAHCSA-N 2 0 355.448 3.346 20 0 FGADRP Cc1cc(C[NH+]2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)ccc1Br ZINC000415122700 499866553 /nfs/dbraw/zinc/86/65/53/499866553.db2.gz KJJZABJPCZGGSC-WMZOPIPTSA-N 2 0 367.331 3.476 20 0 FGADRP Cc1cc(Br)ccc1C[NH+]1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000415126104 499867080 /nfs/dbraw/zinc/86/70/80/499867080.db2.gz PEERRECSTZAPBQ-QZTJIDSGSA-N 2 0 367.331 3.476 20 0 FGADRP CCOc1c(Br)cc(CN2CC[C@H](C)[C@@H](C[NH3+])C2)cc1OC ZINC000415128502 499867428 /nfs/dbraw/zinc/86/74/28/499867428.db2.gz ODDUUIWOKVSFMZ-JSGCOSHPSA-N 2 0 371.319 3.273 20 0 FGADRP CC[NH+](CC)CCOc1ccc(NC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000415182886 499874494 /nfs/dbraw/zinc/87/44/94/499874494.db2.gz MTBUBNVYRMQDLF-DFNIBXOVSA-N 2 0 374.529 3.154 20 0 FGADRP CC1CC[NH+](CCc2cccc(NC(=O)N3CC[C@@H]4C[NH2+]C[C@H]4C3)c2)CC1 ZINC000415386871 499890633 /nfs/dbraw/zinc/89/06/33/499890633.db2.gz GQOAZSMDLFSNOA-UXHICEINSA-N 2 0 370.541 3.034 20 0 FGADRP O[C@@H]1CC[N@H+](Cc2ccccc2C[NH2+]CCc2ccc(F)cc2Cl)C1 ZINC000573294690 506164035 /nfs/dbraw/zinc/16/40/35/506164035.db2.gz LWDCWTFBDFUEEQ-LJQANCHMSA-N 2 0 362.876 3.378 20 0 FGADRP C[NH+](C)CCc1ccccc1NC(=O)N(CCC[NH3+])Cc1ccccc1 ZINC000415556074 499901854 /nfs/dbraw/zinc/90/18/54/499901854.db2.gz CDNQNJOFSLOYDR-UHFFFAOYSA-N 2 0 354.498 3.174 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)Nc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000415880211 499923803 /nfs/dbraw/zinc/92/38/03/499923803.db2.gz FBRPUPGUNZHJOF-CALCHBBNSA-N 2 0 358.530 3.212 20 0 FGADRP C[C@@H](NC(=O)Nc1ccc2c(c1)C[NH2+]CC2)[C@@H](c1ccccc1)[NH+](C)C ZINC000415897251 499925568 /nfs/dbraw/zinc/92/55/68/499925568.db2.gz PFQLKRBIAHWAEK-QRWLVFNGSA-N 2 0 352.482 3.145 20 0 FGADRP C[NH2+]Cc1ccccc1NC(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000415911549 499927438 /nfs/dbraw/zinc/92/74/38/499927438.db2.gz JUIUTIJUNDBHER-IBGZPJMESA-N 2 0 366.509 3.092 20 0 FGADRP C[NH2+]Cc1ccccc1NC(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000415913616 499927766 /nfs/dbraw/zinc/92/77/66/499927766.db2.gz PYVKIOFXLMRUCM-LJQANCHMSA-N 2 0 352.482 3.192 20 0 FGADRP C[NH2+]Cc1ccccc1NC(=O)N[C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000415922071 499928891 /nfs/dbraw/zinc/92/88/91/499928891.db2.gz NGVOGBYXLAVUAC-YLJYHZDGSA-N 2 0 366.509 3.438 20 0 FGADRP CC[NH2+]Cc1ccccc1NC(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000415922340 499928919 /nfs/dbraw/zinc/92/89/19/499928919.db2.gz SHPSVKBQFFUTDF-UWJYYQICSA-N 2 0 366.509 3.438 20 0 FGADRP CC[NH2+]Cc1ccccc1NC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000415950698 499932431 /nfs/dbraw/zinc/93/24/31/499932431.db2.gz HQUCGBXDEQYGSE-PXNSSMCTSA-N 2 0 356.514 3.277 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)Nc1ccc2c(c1F)CC[NH2+]C2)c1ccco1 ZINC000415952047 499932683 /nfs/dbraw/zinc/93/26/83/499932683.db2.gz GQADFZGRAMTPTF-QGZVFWFLSA-N 2 0 374.460 3.269 20 0 FGADRP C[NH2+]Cc1cccc(NC(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC000415958679 499933233 /nfs/dbraw/zinc/93/32/33/499933233.db2.gz MAHGQLACNGTUHU-BGYRXZFFSA-N 2 0 364.493 3.002 20 0 FGADRP CC1CC[NH+](CCNC(=O)Nc2cc(C[NH3+])cc(C(F)(F)F)c2)CC1 ZINC000415960892 499934131 /nfs/dbraw/zinc/93/41/31/499934131.db2.gz CMKFRQRBXGEQDL-UHFFFAOYSA-N 2 0 358.408 3.018 20 0 FGADRP CCN(C(=O)Nc1ccc(C[NH3+])cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000415964038 499934323 /nfs/dbraw/zinc/93/43/23/499934323.db2.gz VSUULWZWOFCIBN-FQEVSTJZSA-N 2 0 352.482 3.274 20 0 FGADRP CC[N@@H+]1C[C@@H](C)N(C(=O)Nc2cc(C[NH3+])cc(C(F)(F)F)c2)C[C@@H]1C ZINC000415964981 499934521 /nfs/dbraw/zinc/93/45/21/499934521.db2.gz YXSXQGJYKOQHPM-NWDGAFQWSA-N 2 0 358.408 3.111 20 0 FGADRP C[NH2+]Cc1ccc(NC(=O)NC[C@H](c2ccc(C)o2)[NH+]2CCCC2)cc1 ZINC000415974851 499936363 /nfs/dbraw/zinc/93/63/63/499936363.db2.gz RRXYYEACDLNWJG-GOSISDBHSA-N 2 0 356.470 3.266 20 0 FGADRP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)Nc1ccc(C[NH3+])cc1 ZINC000415979346 499936540 /nfs/dbraw/zinc/93/65/40/499936540.db2.gz QNEHXYWMBWMUMW-IRXDYDNUSA-N 2 0 366.509 3.423 20 0 FGADRP C[NH2+]Cc1ccc(NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)cc1 ZINC000415984168 499937498 /nfs/dbraw/zinc/93/74/98/499937498.db2.gz OYCCYUJDRGJDKT-OXJNMPFZSA-N 2 0 352.482 3.191 20 0 FGADRP C[NH2+]Cc1ccc(NC(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000415991508 499938240 /nfs/dbraw/zinc/93/82/40/499938240.db2.gz PNVMBLWQOBSKAQ-HXUWFJFHSA-N 2 0 352.482 3.192 20 0 FGADRP C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC000582250013 506169523 /nfs/dbraw/zinc/16/95/23/506169523.db2.gz GGHKTGSOFGABDJ-UEXGIBASSA-N 2 0 357.542 3.268 20 0 FGADRP C[C@@H](CCNC(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1)[NH+](C)Cc1ccccc1 ZINC000429092369 500002272 /nfs/dbraw/zinc/00/22/72/500002272.db2.gz KDOLNGCUAJJELT-RXVVDRJESA-N 2 0 372.557 3.213 20 0 FGADRP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH+](C2CCC2)C2CCC2)CC1 ZINC000429133013 500009204 /nfs/dbraw/zinc/00/92/04/500009204.db2.gz NSDOYHZBTOQBRQ-UHFFFAOYSA-N 2 0 369.553 3.436 20 0 FGADRP C[C@H](OC[C@@H](O)C[NH2+][C@@H](C)C(C)(C)C[NH+](C)C)c1ccc(Cl)cc1 ZINC000573317468 506170823 /nfs/dbraw/zinc/17/08/23/506170823.db2.gz JHOSTRWFULOAOE-MPGHIAIKSA-N 2 0 356.938 3.344 20 0 FGADRP CC[NH+]1CCC(N2CCC[N@H+](Cc3c[nH]nc3-c3ccsc3)CC2)CC1 ZINC000421368809 500028482 /nfs/dbraw/zinc/02/84/82/500028482.db2.gz GMQKACCNTWGYKW-UHFFFAOYSA-N 2 0 373.570 3.130 20 0 FGADRP CCCN(C(=O)NC[C@@H](c1ccc(C)cc1)[NH+]1CCCC1)C1CC[NH2+]CC1 ZINC000417351943 500047086 /nfs/dbraw/zinc/04/70/86/500047086.db2.gz DWFWCMHXIFVPHN-NRFANRHFSA-N 2 0 372.557 3.306 20 0 FGADRP CC[N@H+](C)Cc1cccc(CNC(=O)N2CCCC[C@H]2[C@@H]2CCC[NH2+]C2)c1 ZINC000417398913 500061229 /nfs/dbraw/zinc/06/12/29/500061229.db2.gz IGTBJSNJVUOCDI-RTWAWAEBSA-N 2 0 372.557 3.202 20 0 FGADRP CC[C@H](C(=O)Nc1cc(Cl)ccc1OC1CC[NH+](C)CC1)[NH+](C)C ZINC000413848387 500075738 /nfs/dbraw/zinc/07/57/38/500075738.db2.gz XBMKVKUTSRROAN-MRXNPFEDSA-N 2 0 353.894 3.092 20 0 FGADRP CCC[NH+]1CCC([NH2+]C[C@@H](CO)Cc2ccccc2Br)CC1 ZINC000429431147 500077546 /nfs/dbraw/zinc/07/75/46/500077546.db2.gz SQAKOGLTTFMPQY-HNNXBMFYSA-N 2 0 369.347 3.064 20 0 FGADRP COC(=O)[C@H](CC[NH2+][C@H]1CCN(C)[C@@H]1c1ccccc1)c1ccccc1 ZINC000425448781 500109553 /nfs/dbraw/zinc/10/95/53/500109553.db2.gz VVICHEZYIOQTGI-QHAWAJNXSA-N 2 0 352.478 3.368 20 0 FGADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCc2ccc([C@@H](C)[NH3+])cc2)C1 ZINC000417585540 500117909 /nfs/dbraw/zinc/11/79/09/500117909.db2.gz PIQXGVYUEBYVOZ-IAGOWNOFSA-N 2 0 360.546 3.406 20 0 FGADRP O=C(NCc1ccccc1C[NH+]1CCCCCC1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000417619794 500126927 /nfs/dbraw/zinc/12/69/27/500126927.db2.gz ICAUINSZPCJUGV-OAQYLSRUSA-N 2 0 370.541 3.099 20 0 FGADRP [NH3+]CCC[C@@H](NC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000416845409 500136986 /nfs/dbraw/zinc/13/69/86/500136986.db2.gz RRZCPDNDIFNFKP-LEWJYISDSA-N 2 0 366.509 3.040 20 0 FGADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H](C)c2csc(-c3ccccc3)n2)CC1 ZINC000414066077 500142470 /nfs/dbraw/zinc/14/24/70/500142470.db2.gz PDAVJEKWPIYTBX-IRXDYDNUSA-N 2 0 358.555 3.487 20 0 FGADRP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)NC[C@H]([NH3+])c2ccccc2)CC1 ZINC000417698308 500151915 /nfs/dbraw/zinc/15/19/15/500151915.db2.gz XNDKZWHMRIIJKD-UWJYYQICSA-N 2 0 366.509 3.211 20 0 FGADRP CC(C)(C)O[C@@H]1C[C@@H]([NH2+]Cc2ccccc2C[N@@H+]2CC[C@@H](O)C2)C1(C)C ZINC000414101267 500153737 /nfs/dbraw/zinc/15/37/37/500153737.db2.gz BQSWKWACLHKKOX-VAMGGRTRSA-N 2 0 360.542 3.325 20 0 FGADRP COc1cc(Cl)ccc1[C@H](C)[NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000421822175 500159115 /nfs/dbraw/zinc/15/91/15/500159115.db2.gz WEIDMTLEOBGMHY-HNNXBMFYSA-N 2 0 374.916 3.346 20 0 FGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H](c2ccc(OC)cc2F)C2CC2)CC1 ZINC000421824630 500160518 /nfs/dbraw/zinc/16/05/18/500160518.db2.gz JOYMULRYNQAXQV-IIBYNOLFSA-N 2 0 363.521 3.149 20 0 FGADRP C[NH2+]C[C@@H](C)CNC(=O)NCc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000416952540 500164735 /nfs/dbraw/zinc/16/47/35/500164735.db2.gz GWCJRFHZVPAURB-QGZVFWFLSA-N 2 0 368.525 3.070 20 0 FGADRP CCCN(C(=O)NC[C@H](C(CC)CC)[NH+]1CCCC1)C1CC[NH2+]CC1 ZINC000416957457 500166210 /nfs/dbraw/zinc/16/62/10/500166210.db2.gz ODMAJMKQAZYKMB-LJQANCHMSA-N 2 0 352.567 3.061 20 0 FGADRP COC1([C@@H](C)[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CCOCC1 ZINC000421876069 500168031 /nfs/dbraw/zinc/16/80/31/500168031.db2.gz YQEUCFFTPNFJCB-AYWYSENESA-N 2 0 358.526 3.356 20 0 FGADRP C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)NCCC2=CC[NH2+]CC2)C1 ZINC000416970830 500170892 /nfs/dbraw/zinc/17/08/92/500170892.db2.gz OIMRFSTZFBYVNW-SFHVURJKSA-N 2 0 370.541 3.028 20 0 FGADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000416973197 500171612 /nfs/dbraw/zinc/17/16/12/500171612.db2.gz UIEYFDWTHKVYHE-WIYYLYMNSA-N 2 0 374.573 3.433 20 0 FGADRP C[C@H](CCC[NH3+])NC(=O)NCc1ccccc1C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000416979992 500173748 /nfs/dbraw/zinc/17/37/48/500173748.db2.gz ASROWCJEQBTTFY-KZNAEPCWSA-N 2 0 360.546 3.091 20 0 FGADRP [NH3+]CCCN(CC1CCCC1)C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000417803501 500175077 /nfs/dbraw/zinc/17/50/77/500175077.db2.gz FUNWUIVCHJZUGG-UHFFFAOYSA-N 2 0 364.578 3.334 20 0 FGADRP CCCC[N@H+](C)CC1CC[NH+](Cc2cnnn2Cc2ccccc2)CC1 ZINC000430013054 500181171 /nfs/dbraw/zinc/18/11/71/500181171.db2.gz NYNKCWKRJUOJSH-UHFFFAOYSA-N 2 0 355.530 3.270 20 0 FGADRP C[C@@H](CCCC[NH3+])NC(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000417003783 500181851 /nfs/dbraw/zinc/18/18/51/500181851.db2.gz VWQMQWURYOMWFO-MAUKXSAKSA-N 2 0 366.937 3.294 20 0 FGADRP CC[C@H](C[NH2+]Cc1ccccc1C(=O)N(C)C)N1CCc2ccccc2C1 ZINC000417848720 500183115 /nfs/dbraw/zinc/18/31/15/500183115.db2.gz BXKHYCNCYDWKHK-OAQYLSRUSA-N 2 0 365.521 3.315 20 0 FGADRP CC(C)C[C@H](CNC(=O)N1CC[C@H]([C@@H](C)[NH3+])C1)[NH2+][C@@H](C)c1ccccc1 ZINC000417869684 500188147 /nfs/dbraw/zinc/18/81/47/500188147.db2.gz HNZAPEDSDJNBJU-LCLWPZTBSA-N 2 0 360.546 3.131 20 0 FGADRP CC(C)C[C@H](CNC(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1)[NH2+][C@@H](C)c1ccccc1 ZINC000417880677 500190839 /nfs/dbraw/zinc/19/08/39/500190839.db2.gz STPXQCHNMLNEPX-MJUUVYJYSA-N 2 0 372.557 3.003 20 0 FGADRP CC(C)C[C@H](CNC(=O)N[C@@H]1CC[C@@H](C[NH3+])C1)[NH2+][C@H](C)c1ccccc1 ZINC000417883473 500191418 /nfs/dbraw/zinc/19/14/18/500191418.db2.gz WLIBHLZVXWCJAO-HNBVOPMISA-N 2 0 360.546 3.179 20 0 FGADRP C[C@H](NC(=O)N[C@H](CCC[NH3+])c1ccccc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000417989794 500210598 /nfs/dbraw/zinc/21/05/98/500210598.db2.gz JSGCYXFEAAASHM-FBBABVLZSA-N 2 0 372.557 3.419 20 0 FGADRP CCOCCOc1ccc(Br)cc1C[NH2+][C@@H](C)C[C@@H](C)[NH3+] ZINC000579473939 506183542 /nfs/dbraw/zinc/18/35/42/506183542.db2.gz UESWVXJGBATPGP-OLZOCXBDSA-N 2 0 359.308 3.080 20 0 FGADRP COc1cccc2c1CC[C@H]([NH2+]CCc1ccc(OCC[NH+](C)C)cc1)C2 ZINC000426052397 500230643 /nfs/dbraw/zinc/23/06/43/500230643.db2.gz YCACMRWQLQRABU-FQEVSTJZSA-N 2 0 368.521 3.325 20 0 FGADRP CCC[N@H+](C)[C@H](CNC(=O)NC1(C)CC[NH2+]CC1)c1ccc(Cl)cc1 ZINC000418174845 500242604 /nfs/dbraw/zinc/24/26/04/500242604.db2.gz FGWCOXRPNCGJPP-QGZVFWFLSA-N 2 0 366.937 3.164 20 0 FGADRP CCC[N@H+](C)[C@@H](CNC(=O)N1CCC[C@@H]([NH2+]C)C1)c1ccc(Cl)cc1 ZINC000418174860 500242766 /nfs/dbraw/zinc/24/27/66/500242766.db2.gz FHIUSKUVSNDGET-MSOLQXFVSA-N 2 0 366.937 3.116 20 0 FGADRP CCc1ccc([C@H](CNC(=O)N2CC[C@]3(CC[NH2+]C3)C2)[NH+](CC)CC)cc1 ZINC000418215769 500250654 /nfs/dbraw/zinc/25/06/54/500250654.db2.gz NIEOAVBJDVAMAI-UNMCSNQZSA-N 2 0 372.557 3.027 20 0 FGADRP CC[NH2+]CC1CC[NH+]([C@@H](C)C(=O)N[C@@H](C)c2cc3ccccc3o2)CC1 ZINC000430549659 500253096 /nfs/dbraw/zinc/25/30/96/500253096.db2.gz NJEAGLFAEJVMDP-HOTGVXAUSA-N 2 0 357.498 3.320 20 0 FGADRP CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]C1 ZINC000418233569 500253623 /nfs/dbraw/zinc/25/36/23/500253623.db2.gz GUULIVDKKQWAFW-HSALFYBXSA-N 2 0 364.578 3.061 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCN(c3ccccc3F)C2)[C@H](C)C1 ZINC000426288634 500257077 /nfs/dbraw/zinc/25/70/77/500257077.db2.gz KIOLDJJFSHMMLN-GGPKGHCWSA-N 2 0 363.521 3.131 20 0 FGADRP CC[NH2+]CC1CC[NH+](CC(=O)N[C@H](c2ccccc2)C2CCCC2)CC1 ZINC000430584025 500258568 /nfs/dbraw/zinc/25/85/68/500258568.db2.gz NVSJOGWDLDBCID-JOCHJYFZSA-N 2 0 357.542 3.356 20 0 FGADRP CC[NH2+]CC1CC[NH+](CC(=O)N(C)Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000430586452 500259359 /nfs/dbraw/zinc/25/93/59/500259359.db2.gz SVAVLMXXLRFPSE-UHFFFAOYSA-N 2 0 372.340 3.273 20 0 FGADRP [NH3+]CCCOC1CC[NH+](CCCOc2cccc(C(F)(F)F)c2)CC1 ZINC000430595760 500260207 /nfs/dbraw/zinc/26/02/07/500260207.db2.gz YNTXXVHESPNUFU-UHFFFAOYSA-N 2 0 360.420 3.304 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@H]([NH3+])c2ccc(C(C)C)cc2)[C@@H](C)C1 ZINC000418325646 500262518 /nfs/dbraw/zinc/26/25/18/500262518.db2.gz JKKXGOQLYHJPQB-VDGAXYAQSA-N 2 0 360.546 3.182 20 0 FGADRP [NH3+]CC1CC[NH+](CC(=O)N[C@@H](c2ccccc2)c2cccc(Cl)c2)CC1 ZINC000430668663 500267840 /nfs/dbraw/zinc/26/78/40/500267840.db2.gz RTTATLYBJMLYSI-NRFANRHFSA-N 2 0 371.912 3.216 20 0 FGADRP CCCN(C(=O)NC1CCC([NH3+])CC1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000418386219 500270913 /nfs/dbraw/zinc/27/09/13/500270913.db2.gz MQEIYHBKZBZKSP-XVAXZDLZSA-N 2 0 372.557 3.343 20 0 FGADRP CCC([NH3+])(CC)CNC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000418435730 500276501 /nfs/dbraw/zinc/27/65/01/500276501.db2.gz IBGJRGMQWHFIPJ-IEBWSBKVSA-N 2 0 360.546 3.198 20 0 FGADRP CN(CCC[N@H+](C)Cc1ccco1)C(=O)NCC[NH2+]C1CCCCCC1 ZINC000418438976 500276713 /nfs/dbraw/zinc/27/67/13/500276713.db2.gz FQOVTGWKWLLBMO-UHFFFAOYSA-N 2 0 364.534 3.055 20 0 FGADRP CCOc1ccccc1Oc1ccc(C[NH2+][C@@H]2CCOC[C@H]2[C@H](C)[NH3+])cn1 ZINC000422696408 500287252 /nfs/dbraw/zinc/28/72/52/500287252.db2.gz RNYGFJFLKVXMLC-RYQLBKOJSA-N 2 0 371.481 3.115 20 0 FGADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000422719440 500289114 /nfs/dbraw/zinc/28/91/14/500289114.db2.gz REIXVWBOQQNNIQ-VJBMBRPKSA-N 2 0 351.538 3.099 20 0 FGADRP CC[NH+](CC)CCCC1CCN(C(=O)NCc2ccc3c(c2)C[NH2+]C3)CC1 ZINC000418550315 500290444 /nfs/dbraw/zinc/29/04/44/500290444.db2.gz HBVZAJNGWZTPLJ-UHFFFAOYSA-N 2 0 372.557 3.333 20 0 FGADRP C[N@H+](Cc1ccccc1C[NH2+][C@@H](C1CC1)[C@H]1CNCCO1)C1CCCCC1 ZINC000422727683 500290632 /nfs/dbraw/zinc/29/06/32/500290632.db2.gz DBUWVZOKMZWEHW-PKTZIBPZSA-N 2 0 371.569 3.308 20 0 FGADRP C[C@H](C[C@@H]1COCCN1)[NH2+]Cc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000422734526 500291852 /nfs/dbraw/zinc/29/18/52/500291852.db2.gz TYSFNTAMXZZPDZ-WIYYLYMNSA-N 2 0 359.558 3.308 20 0 FGADRP C[C@H]([NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1ccc(NC(N)=O)cc1 ZINC000422736294 500292687 /nfs/dbraw/zinc/29/26/87/500292687.db2.gz VUVLQNIODFKCJZ-XQAUZQBESA-N 2 0 366.465 3.084 20 0 FGADRP CC1CC[NH+]([C@H](CN[C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)c2ccccc2)CC1 ZINC000422744822 500293394 /nfs/dbraw/zinc/29/33/94/500293394.db2.gz WROYDLMYEXGDBF-MYDTUXCISA-N 2 0 371.569 3.206 20 0 FGADRP COc1ccc([C@H](C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)N2CCCC2)cc1 ZINC000422758143 500294351 /nfs/dbraw/zinc/29/43/51/500294351.db2.gz NOLMECKWILWVEQ-KJJMTIBFSA-N 2 0 357.542 3.342 20 0 FGADRP COc1cccc([C@H](C[NH2+][C@H](C)c2ccc(C[NH3+])nc2C)N2CCCC2)c1 ZINC000422756490 500294448 /nfs/dbraw/zinc/29/44/48/500294448.db2.gz IXLIZLGWRHRFJZ-ZHRRBRCNSA-N 2 0 368.525 3.345 20 0 FGADRP CCOC(=O)C1([C@H](C)[NH2+]CCSc2ccc(Cl)cc2)CC[NH2+]CC1 ZINC000422766233 500295281 /nfs/dbraw/zinc/29/52/81/500295281.db2.gz LQURIRNQPPKPFM-AWEZNQCLSA-N 2 0 370.946 3.343 20 0 FGADRP C[C@@H](CCC[NH3+])[NH2+][C@@H](c1ccc(F)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000422788825 500297239 /nfs/dbraw/zinc/29/72/39/500297239.db2.gz NMQUQHSIDYZOJW-LIRRHRJNSA-N 2 0 364.486 3.036 20 0 FGADRP C[C@@H]1C[N@@H+](Cc2ccc(C[NH2+][C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)cc2)C[C@H](C)O1 ZINC000422810562 500301210 /nfs/dbraw/zinc/30/12/10/500301210.db2.gz NQJMWHOZQQUKID-NQDIBGKZSA-N 3 0 371.569 3.306 20 0 FGADRP CCC(CC)[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)N1CCOCC1 ZINC000422821635 500302849 /nfs/dbraw/zinc/30/28/49/500302849.db2.gz XQGWAJAQFRMHSG-BQJUDKOJSA-N 2 0 351.579 3.024 20 0 FGADRP c1ccc(N2CC[C@H](C[NH2+][C@H]3C[C@]4(CC[NH2+]C4)Oc4ccccc43)C2)cc1 ZINC000422836669 500304132 /nfs/dbraw/zinc/30/41/32/500304132.db2.gz RREXFELPDSHJQH-JZWVFAODSA-N 2 0 363.505 3.358 20 0 FGADRP [NH3+]CCC[C@@H](NC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1)c1ccccc1 ZINC000418669729 500305128 /nfs/dbraw/zinc/30/51/28/500305128.db2.gz JTNRBDZLVXBKOO-VQTJNVASSA-N 2 0 358.530 3.127 20 0 FGADRP C[C@@H]1CCC[N@H+](Cc2ccc(C[NH2+][C@@H]3CCOC[C@@H]3[C@H]3CCC[NH2+]3)cc2)C1 ZINC000422855414 500306082 /nfs/dbraw/zinc/30/60/82/500306082.db2.gz DUCUYGADZJMHNB-RLLPEYFOSA-N 3 0 371.569 3.165 20 0 FGADRP CCOC(=O)C1([C@H](C)[NH2+]C[C@@H]2CCC[C@@H](C(F)(F)F)C2)CC[NH2+]CC1 ZINC000422853026 500306103 /nfs/dbraw/zinc/30/61/03/500306103.db2.gz RSBLYRMOODBWNY-RRFJBIMHSA-N 2 0 364.452 3.266 20 0 FGADRP CC[NH+](CC)CC1CCN(C(=O)N[C@H](CCC[NH3+])c2ccccc2)CC1 ZINC000418678275 500306558 /nfs/dbraw/zinc/30/65/58/500306558.db2.gz SLASHVNSMNFUQL-HXUWFJFHSA-N 2 0 360.546 3.230 20 0 FGADRP CCOC(=O)C1([C@@H](C)[NH2+]Cc2ccc(C)cc2OCC2CC2)CC[NH2+]CC1 ZINC000422867500 500307161 /nfs/dbraw/zinc/30/71/61/500307161.db2.gz SNRFDEAHOMOGHB-QGZVFWFLSA-N 2 0 374.525 3.195 20 0 FGADRP COc1ccc(OC(F)F)c(C[NH2+][C@H](C)c2ccc(C[NH3+])nc2C)c1 ZINC000422871442 500307904 /nfs/dbraw/zinc/30/79/04/500307904.db2.gz CWLFPQMHCQYYSW-LLVKDONJSA-N 2 0 351.397 3.310 20 0 FGADRP COc1ccc([C@H]2CCCCCN2C(=O)C[NH+]2CCC([C@H](C)[NH3+])CC2)cc1 ZINC000430925806 500307927 /nfs/dbraw/zinc/30/79/27/500307927.db2.gz DWWYIRMUNVTFSH-LAUBAEHRSA-N 2 0 373.541 3.198 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCN[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000422873642 500308375 /nfs/dbraw/zinc/30/83/75/500308375.db2.gz AVOWLUDHUZJMDP-BAYUQKDNSA-N 2 0 357.542 3.200 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422874441 500308634 /nfs/dbraw/zinc/30/86/34/500308634.db2.gz CYKHHVPDBSTDMA-KAGYGMCKSA-N 3 0 357.542 3.487 20 0 FGADRP C[C@H](C[C@H]1COCCN1)[NH2+]Cc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000422875599 500308866 /nfs/dbraw/zinc/30/88/66/500308866.db2.gz FEIUNROMUVACSW-MOXWOTFGSA-N 2 0 359.558 3.021 20 0 FGADRP COc1ccc(C[NH2+][C@H](C)c2ccc(C[NH3+])nc2C)cc1Br ZINC000422876277 500308884 /nfs/dbraw/zinc/30/88/84/500308884.db2.gz FKXHHKNFLYBDFI-LLVKDONJSA-N 2 0 364.287 3.471 20 0 FGADRP COc1cc(OC)cc(N2CC[C@H](C[NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)C2)c1 ZINC000422874922 500308952 /nfs/dbraw/zinc/30/89/52/500308952.db2.gz OFXICWGUSVVHDY-ZINXYGQCSA-N 2 0 373.541 3.040 20 0 FGADRP CC[C@@H]([NH3+])CNC(=O)N1CC(C)(C)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000418706107 500310015 /nfs/dbraw/zinc/31/00/15/500310015.db2.gz FCKCFTVVBBIQNA-WOJBJXKFSA-N 2 0 372.557 3.056 20 0 FGADRP C[C@H]([NH3+])C1CC[NH+](CCC(=O)N[C@@H](c2cccs2)c2ccccc2)CC1 ZINC000430945213 500311218 /nfs/dbraw/zinc/31/12/18/500311218.db2.gz WGYOWGYFTOKKCY-HRAATJIYSA-N 2 0 371.550 3.403 20 0 FGADRP C[C@H]([NH3+])C1CC[NH+](CCC(=O)NC(c2ccccc2)c2ccccc2)CC1 ZINC000430947087 500312006 /nfs/dbraw/zinc/31/20/06/500312006.db2.gz CXRBSYDKCIHMSA-SFHVURJKSA-N 2 0 365.521 3.342 20 0 FGADRP C[C@H]1C[N@H+](CCC(=O)Nc2ccc(Oc3ccccc3)cc2)CC[C@@H]1[NH3+] ZINC000430961161 500313484 /nfs/dbraw/zinc/31/34/84/500313484.db2.gz MTCUBIRLQAPCOE-JXFKEZNVSA-N 2 0 353.466 3.477 20 0 FGADRP C[C@H](C[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)N(C)Cc1ccccc1 ZINC000422901121 500313638 /nfs/dbraw/zinc/31/36/38/500313638.db2.gz BQRFPIKUVIHDBO-AAIMPIBUSA-N 2 0 365.521 3.352 20 0 FGADRP C[C@@H]([NH2+]C[C@H]1CCN(c2cccc(Br)c2)C1)[C@H]1CCCC[NH2+]1 ZINC000422903517 500313842 /nfs/dbraw/zinc/31/38/42/500313842.db2.gz WHPITGQNKUDPSX-IIDMSEBBSA-N 2 0 366.347 3.396 20 0 FGADRP CC(C)Oc1ccc(C[NH2+][C@@H]2CCOC[C@@H]2[C@H](C)[NH3+])c(C(F)(F)F)c1 ZINC000422902551 500313849 /nfs/dbraw/zinc/31/38/49/500313849.db2.gz MXFHYUMSJGOBFX-XGWLTEMNSA-N 2 0 360.420 3.335 20 0 FGADRP COc1cccc(N2CC[C@H](C[NH2+][C@@H]3CCC[C@H]3[C@@H]3CCCC[NH2+]3)C2)c1 ZINC000422906240 500314520 /nfs/dbraw/zinc/31/45/20/500314520.db2.gz UTTXETXBJVOVIL-KDXIVRHGSA-N 2 0 357.542 3.422 20 0 FGADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]CCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000422905352 500314923 /nfs/dbraw/zinc/31/49/23/500314923.db2.gz HZAPPXKGBIXIMA-WWPVKYPJSA-N 3 0 373.585 3.063 20 0 FGADRP CCOC(=O)C1([C@H](C)[NH2+]Cc2ccccc2OC2CCC2)CC[NH2+]CC1 ZINC000422913193 500315350 /nfs/dbraw/zinc/31/53/50/500315350.db2.gz PHJUMUCQNFFSNQ-INIZCTEOSA-N 2 0 360.498 3.029 20 0 FGADRP CC[NH+]1CCN(Cc2ccc(N[C@H]3C[C@H]([NH3+])c4ccccc43)cc2)CC1 ZINC000422916282 500315909 /nfs/dbraw/zinc/31/59/09/500315909.db2.gz DFJRVIYQJGYABN-VXKWHMMOSA-N 2 0 350.510 3.381 20 0 FGADRP CCOC(=O)C1([C@@H](C)[NH2+][C@H](CC)c2cc(F)ccc2F)CC[NH2+]CC1 ZINC000422918223 500316491 /nfs/dbraw/zinc/31/64/91/500316491.db2.gz HNYNPDVCYPHFPS-CXAGYDPISA-N 2 0 354.441 3.327 20 0 FGADRP COc1cccc(OCCC[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000422923366 500317563 /nfs/dbraw/zinc/31/75/63/500317563.db2.gz RUKIQQIFMQVXSU-UNMCSNQZSA-N 2 0 368.477 3.310 20 0 FGADRP O=C(c1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)cc1)N1CCCCC1 ZINC000422926207 500317842 /nfs/dbraw/zinc/31/78/42/500317842.db2.gz CSWYVBFOXKOABD-PWRODBHTSA-N 2 0 355.526 3.323 20 0 FGADRP CCOc1ccc([C@@H](C)NC(=O)CCC[NH2+]C2CCC(C[NH3+])CC2)cc1 ZINC000422928669 500318120 /nfs/dbraw/zinc/31/81/20/500318120.db2.gz LYQRLZGWJKYGDZ-LRYGQEGESA-N 2 0 361.530 3.150 20 0 FGADRP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@H]2[NH2+]CCc1nc2c(s1)CCCC2 ZINC000422955339 500323392 /nfs/dbraw/zinc/32/33/92/500323392.db2.gz LWMZUSSEFDODBT-DYESRHJHSA-N 2 0 369.534 3.410 20 0 FGADRP Cc1ccc(Br)cc1NC(=O)CC[NH2+][C@H]1CCCCC[C@@H]1[NH3+] ZINC000422953138 500323524 /nfs/dbraw/zinc/32/35/24/500323524.db2.gz DITZNYDYYPAEKB-GJZGRUSLSA-N 2 0 368.319 3.336 20 0 FGADRP C[C@H](c1ccncc1)[NH+]1CCC(N[C@H](Cc2ccccc2)[C@H](C)[NH3+])CC1 ZINC000422962035 500324457 /nfs/dbraw/zinc/32/44/57/500324457.db2.gz BSQHRDVANNHSBJ-NJNPRVFISA-N 2 0 352.526 3.155 20 0 FGADRP O=C(CCC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)N1CCc2ccccc21 ZINC000422961335 500324532 /nfs/dbraw/zinc/32/45/32/500324532.db2.gz YWYPJXMWCADHDW-VAMGGRTRSA-N 2 0 355.526 3.256 20 0 FGADRP Brc1cc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)cc2c1OCO2 ZINC000422967738 500324856 /nfs/dbraw/zinc/32/48/56/500324856.db2.gz CJKPGKCMAJOILG-NWANDNLSSA-N 2 0 367.287 3.188 20 0 FGADRP C[C@H]1C[NH+](CCC2CC[NH+](CCOc3ccccc3F)CC2)C[C@H](C)O1 ZINC000426821467 500325082 /nfs/dbraw/zinc/32/50/82/500325082.db2.gz SXSAVFMZVLYXMT-ROUUACIJSA-N 2 0 364.505 3.416 20 0 FGADRP OC[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)Cc1ccccc1C(F)(F)F ZINC000422988336 500327560 /nfs/dbraw/zinc/32/75/60/500327560.db2.gz ISSCKTPWAROFEB-RGIVZKHGSA-N 2 0 370.459 3.367 20 0 FGADRP C[C@@H]1C[C@H](CC[NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)C[N@@H+]1Cc1ccccc1 ZINC000423005954 500330602 /nfs/dbraw/zinc/33/06/02/500330602.db2.gz TVNDWDAGKCNPDK-FBKNVZDASA-N 3 0 371.569 3.034 20 0 FGADRP CCOC(=O)C1([C@H](C)[NH2+][C@@H](CC)CSc2ccccc2)CC[NH2+]CC1 ZINC000423007853 500330641 /nfs/dbraw/zinc/33/06/41/500330641.db2.gz YTRLOVPEPOMSAO-IRXDYDNUSA-N 2 0 364.555 3.468 20 0 FGADRP CCN1CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000423012673 500330825 /nfs/dbraw/zinc/33/08/25/500330825.db2.gz DMFYFIGKOZGKIZ-WOJYRBHSSA-N 2 0 351.897 3.487 20 0 FGADRP CCOC(=O)C1([C@H](C)[NH2+]C2(c3ccc(F)cc3F)CCC2)CC[NH2+]CC1 ZINC000423029126 500332894 /nfs/dbraw/zinc/33/28/94/500332894.db2.gz RRIGLHDUIKOGTM-AWEZNQCLSA-N 2 0 366.452 3.255 20 0 FGADRP CC1(C)[C@H]([NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)C[C@H]1OCc1ccccc1 ZINC000423053646 500336337 /nfs/dbraw/zinc/33/63/37/500336337.db2.gz SDTAEUNGBGMTJJ-PFAUGDHASA-N 2 0 358.526 3.117 20 0 FGADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]C[C@@H]1CSCCN1Cc1ccccc1 ZINC000423069150 500338239 /nfs/dbraw/zinc/33/82/39/500338239.db2.gz AJFHKAQSVRDIPW-VLCRHTCISA-N 2 0 369.578 3.152 20 0 FGADRP FC(F)(F)c1ccc(OCCC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)nc1 ZINC000423077883 500339580 /nfs/dbraw/zinc/33/95/80/500339580.db2.gz NDCDVHCUXWCOIT-BZUAXINKSA-N 2 0 357.420 3.380 20 0 FGADRP CC[C@H]([NH2+]C1CCN(Cc2coc(-c3ccccc3)n2)CC1)[C@@H]1CCC[NH2+]1 ZINC000423081269 500339943 /nfs/dbraw/zinc/33/99/43/500339943.db2.gz CLLAXZGUOUJEKJ-SFTDATJTSA-N 2 0 368.525 3.426 20 0 FGADRP C[C@@H]1C[C@H](CCNC(=O)[C@H]2CCC[N@@H+]2C2CC2)C[NH+]1Cc1ccccc1 ZINC000426980429 500340845 /nfs/dbraw/zinc/34/08/45/500340845.db2.gz AHKNERIMXUDEEC-SLYNCCJLSA-N 2 0 355.526 3.030 20 0 FGADRP CCOC(=O)C1([C@@H](C)[NH2+][C@@H](C)c2ccccc2SC)CC[NH2+]CC1 ZINC000423095953 500342020 /nfs/dbraw/zinc/34/20/20/500342020.db2.gz GNIGXGJVFMQLLR-LSDHHAIUSA-N 2 0 350.528 3.381 20 0 FGADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]Cc1cc(Cl)ccc1N1CCOCC1 ZINC000423102157 500342506 /nfs/dbraw/zinc/34/25/06/500342506.db2.gz OBSBXHCWXCYUGH-CQSZACIVSA-N 2 0 374.916 3.190 20 0 FGADRP O=C(Cc1ccccc1)N1CCC[C@H]([NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)C1 ZINC000423117482 500344745 /nfs/dbraw/zinc/34/47/45/500344745.db2.gz VRMNIASIVOFPOS-FNAHDJPLSA-N 2 0 369.553 3.121 20 0 FGADRP COC[C@H](CCC[NH3+])[NH2+][C@@H]1c2cccc(Br)c2CC1(C)C ZINC000423123462 500345301 /nfs/dbraw/zinc/34/53/01/500345301.db2.gz DTHLSOLJPFXMSY-BLLLJJGKSA-N 2 0 355.320 3.416 20 0 FGADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000423126586 500345904 /nfs/dbraw/zinc/34/59/04/500345904.db2.gz BBUBMADODMESMN-BHDDXSALSA-N 3 0 371.569 3.022 20 0 FGADRP CC[C@H](NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2)[C@@H]1CCC[NH2+]1 ZINC000423127571 500346035 /nfs/dbraw/zinc/34/60/35/500346035.db2.gz CCKWTZKFFOLJIJ-FSSWDIPSSA-N 3 0 371.569 3.035 20 0 FGADRP FC(F)(F)[C@H](CC[NH2+][C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000423140732 500347775 /nfs/dbraw/zinc/34/77/75/500347775.db2.gz ZJWLQIJQDYDNAJ-BSDSXHPESA-N 2 0 356.432 3.469 20 0 FGADRP CCOC(=O)C1([C@H](C)[NH2+]C[C@H]2CCC[C@H]2c2ccccc2)CC[NH2+]CC1 ZINC000423153411 500349322 /nfs/dbraw/zinc/34/93/22/500349322.db2.gz GLRVVJXAHIMIFN-SXLOBPIMSA-N 2 0 358.526 3.481 20 0 FGADRP Cc1ccc(C[C@H](CO)[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1C ZINC000423162969 500349808 /nfs/dbraw/zinc/34/98/08/500349808.db2.gz LXYNMOWWSOGCTE-UNWVZKJWSA-N 2 0 366.505 3.052 20 0 FGADRP C[C@@H]([NH2+]CCCN1CC[NH2+]CC1)c1ccc(OCc2ccccc2)cc1 ZINC000423186695 500353333 /nfs/dbraw/zinc/35/33/33/500353333.db2.gz WWZSXSMUFRQNDV-LJQANCHMSA-N 2 0 353.510 3.212 20 0 FGADRP Fc1ccc(N2CC[C@H]([NH2+][C@@H]3C[C@]4(CC[NH2+]C4)Oc4ccccc43)C2)cc1 ZINC000423196381 500354239 /nfs/dbraw/zinc/35/42/39/500354239.db2.gz ZTPJUUXFMBUVSV-WEYGHZABSA-N 2 0 367.468 3.250 20 0 FGADRP C[C@@H]([NH2+]CC[C@@H]1CCC[NH2+]C1)c1ccccc1I ZINC000423264078 500360165 /nfs/dbraw/zinc/36/01/65/500360165.db2.gz XZXZRIHROPGVBP-OLZOCXBDSA-N 2 0 358.267 3.332 20 0 FGADRP COc1ccc([C@H](CCn2cncn2)[NH2+]Cc2ccc([C@@H](C)[NH3+])cc2)cc1 ZINC000423292439 500361642 /nfs/dbraw/zinc/36/16/42/500361642.db2.gz NAFXVLHYPICYBZ-IERDGZPVSA-N 2 0 365.481 3.228 20 0 FGADRP C[C@H]([NH3+])c1ccc(C[NH2+][C@@H](C)c2cccc(N3CCCS3(=O)=O)c2)cc1 ZINC000423293928 500362644 /nfs/dbraw/zinc/36/26/44/500362644.db2.gz SNQPOLPLRIKIRG-HOTGVXAUSA-N 2 0 373.522 3.097 20 0 FGADRP CC(C)(C)[NH+]1CCC(N[C@@H]2C[NH2+]CC[C@H]2c2ccc(F)c(F)c2)CC1 ZINC000423360510 500367306 /nfs/dbraw/zinc/36/73/06/500367306.db2.gz FRHGRDVEBAFTJU-QFBILLFUSA-N 2 0 351.485 3.263 20 0 FGADRP Cc1cc([C@@H]([NH2+]C[C@@H](N2CC[NH2+]CC2)C(F)(F)F)C2CC2)ccc1F ZINC000423375162 500368393 /nfs/dbraw/zinc/36/83/93/500368393.db2.gz CWNMARMIZRTZAK-SJORKVTESA-N 2 0 359.411 3.011 20 0 FGADRP Cc1c([C@@H](C)[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)nnn1-c1cccc(Cl)c1 ZINC000576577602 506191469 /nfs/dbraw/zinc/19/14/69/506191469.db2.gz VEEGFLLLHIPOJD-OCBCSQNSSA-N 2 0 359.905 3.268 20 0 FGADRP COCC1(C[NH2+][C@@H]2CCCC[C@@H]2c2ccc(OC)c(F)c2)CC[NH2+]CC1 ZINC000423407183 500371281 /nfs/dbraw/zinc/37/12/81/500371281.db2.gz LVLMADLDVFUXIA-IEBWSBKVSA-N 2 0 364.505 3.466 20 0 FGADRP C[C@H]([NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1)c1ccc(OCc2nccn2C)cc1 ZINC000423427562 500373671 /nfs/dbraw/zinc/37/36/71/500373671.db2.gz FYDDSAYKKCKGEA-RYGJVYDSSA-N 2 0 354.498 3.038 20 0 FGADRP C[C@@H]([NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1)c1ccc(OCc2nccn2C)cc1 ZINC000423427570 500373736 /nfs/dbraw/zinc/37/37/36/500373736.db2.gz FYDDSAYKKCKGEA-UIAACRFSSA-N 2 0 354.498 3.038 20 0 FGADRP Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@H]2[NH2+][C@@H](C)CCCC[NH3+])cc1 ZINC000423437404 500374836 /nfs/dbraw/zinc/37/48/36/500374836.db2.gz QKZWNXLSQPQZCK-QXAKKESOSA-N 2 0 352.544 3.187 20 0 FGADRP C[C@@H]([NH2+][C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)c1ccc(C(F)(F)F)cc1 ZINC000423450718 500375712 /nfs/dbraw/zinc/37/57/12/500375712.db2.gz HOVJDJSOQVPGDV-NJAPINKUSA-N 2 0 369.431 3.003 20 0 FGADRP CCSc1ccccc1[C@@H](C)[NH2+][C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC000423459873 500375820 /nfs/dbraw/zinc/37/58/20/500375820.db2.gz RNCWINBRXCKPOS-ZTQAJYAQSA-N 2 0 361.555 3.096 20 0 FGADRP O=C(C[C@@H]1CCC[NH2+]CC1)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000427329007 500382010 /nfs/dbraw/zinc/38/20/10/500382010.db2.gz JISXIOMXWXTAHE-VQIMIIECSA-N 2 0 363.933 3.373 20 0 FGADRP C[C@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)c1cccc(OC(F)(F)F)c1 ZINC000423525258 500382164 /nfs/dbraw/zinc/38/21/64/500382164.db2.gz XZQTXSGNHIRYRZ-OOHWJJMZSA-N 2 0 371.447 3.452 20 0 FGADRP C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000423537010 500383470 /nfs/dbraw/zinc/38/34/70/500383470.db2.gz BPEXTKILMQVSOO-QSOKESPWSA-N 2 0 363.933 3.055 20 0 FGADRP C[C@H](Cc1ccc(Br)cc1F)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000423548483 500384160 /nfs/dbraw/zinc/38/41/60/500384160.db2.gz RHXBPYIKZWRCDM-OEYIWLLWSA-N 2 0 355.295 3.497 20 0 FGADRP O=C(NC[C@H]1CCCC[N@@H+]1C1CC1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000427444878 500394135 /nfs/dbraw/zinc/39/41/35/500394135.db2.gz VJYFHQXQAOJNNV-OAQYLSRUSA-N 2 0 355.526 3.419 20 0 FGADRP C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)N[C@H]2CC[NH2+]CC2(C)C)c1 ZINC000423749097 500398805 /nfs/dbraw/zinc/39/88/05/500398805.db2.gz SFBFGIKAQDIXDP-NRFANRHFSA-N 2 0 365.521 3.437 20 0 FGADRP CC(C)CC[NH+]1CCC(CNC(=O)NCC[NH+](C(C)C)C(C)C)CC1 ZINC000431650071 500402939 /nfs/dbraw/zinc/40/29/39/500402939.db2.gz YZDDDIYHWRFHKQ-UHFFFAOYSA-N 2 0 354.583 3.163 20 0 FGADRP C[C@@H]([NH2+][C@H]1COc2ccc(F)cc2C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000579520700 506193506 /nfs/dbraw/zinc/19/35/06/506193506.db2.gz KRPWEROBGIIOOW-DNVCBOLYSA-N 2 0 358.457 3.420 20 0 FGADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H]2CCCc3c4cc(C)ccc4[nH]c32)CC1 ZINC000582352573 506194505 /nfs/dbraw/zinc/19/45/05/506194505.db2.gz MWYQBMDYCOCMSC-LAUBAEHRSA-N 2 0 354.542 3.469 20 0 FGADRP O=C(C1CC[NH+](Cc2ccccc2)CC1)N1CC[NH2+]C[C@H]1c1ccccc1 ZINC000423995499 500432304 /nfs/dbraw/zinc/43/23/04/500432304.db2.gz JMWZFJBLZCSMMS-QFIPXVFZSA-N 2 0 363.505 3.072 20 0 FGADRP CC(C)[N@H+](CC[C@@H]1CC[NH2+]C1)C[C@@H](O)COc1cccc2ccccc21 ZINC000420303007 500437383 /nfs/dbraw/zinc/43/73/83/500437383.db2.gz KFRUBGFJNUJXOI-AZUAARDMSA-N 2 0 356.510 3.290 20 0 FGADRP COc1ccc([C@H](C[NH3+])C[N@H+](CCCO)[C@H]2CCc3ccccc32)cc1 ZINC000420303061 500437898 /nfs/dbraw/zinc/43/78/98/500437898.db2.gz NAJMPDCQGOHLHQ-KNQAVFIVSA-N 2 0 354.494 3.109 20 0 FGADRP CCc1ccccc1NC(=O)[C@@H](C)N1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000420311345 500439277 /nfs/dbraw/zinc/43/92/77/500439277.db2.gz HNERIAYILCUSHZ-AHRSYUTCSA-N 2 0 351.494 3.250 20 0 FGADRP COc1ccc([C@@H](C[NH3+])C[N@@H+]2CCC[C@H]2Cc2ccccc2OC)cc1 ZINC000420313306 500440011 /nfs/dbraw/zinc/44/00/11/500440011.db2.gz XXSOXRVPMIDUAK-PMACEKPBSA-N 2 0 354.494 3.453 20 0 FGADRP c1ccc(COc2cncc(C[NH+]3CCC([C@H]4CC[NH2+]C4)CC3)c2)cc1 ZINC000420315453 500440204 /nfs/dbraw/zinc/44/02/04/500440204.db2.gz MHIAIJPPVFVZEA-NRFANRHFSA-N 2 0 351.494 3.482 20 0 FGADRP O=C(C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1)NCC1(c2ccccc2)CCCC1 ZINC000420331574 500442926 /nfs/dbraw/zinc/44/29/26/500442926.db2.gz CECXRGGFIUFKMU-NRFANRHFSA-N 2 0 369.553 3.079 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)CC[C@H]1CCCC[N@@H+]1C)Cc1ccccc1 ZINC000431926189 500444132 /nfs/dbraw/zinc/44/41/32/500444132.db2.gz VJIUXNURPYEVIT-RTWAWAEBSA-N 2 0 359.558 3.320 20 0 FGADRP C[C@@H](C(=O)Nc1cccc2ncccc21)[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000420343689 500445703 /nfs/dbraw/zinc/44/57/03/500445703.db2.gz ZUSAKHRSKJHLTK-MAUKXSAKSA-N 2 0 352.482 3.026 20 0 FGADRP Cc1c(Br)cccc1C[NH+]1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000420374648 500450088 /nfs/dbraw/zinc/45/00/88/500450088.db2.gz HSVQUFXHRPFYDE-QZTJIDSGSA-N 2 0 367.331 3.476 20 0 FGADRP COc1ccc([C@@H](C[NH3+])C[N@H+](C)C2CCN(c3ccccc3)CC2)cc1 ZINC000420381534 500451976 /nfs/dbraw/zinc/45/19/76/500451976.db2.gz XPEUGZVLWDMZQK-IBGZPJMESA-N 2 0 353.510 3.338 20 0 FGADRP COc1ccc([C@H](C[NH3+])C[NH2+][C@H]2CCO[C@@H]2c2ccc(F)c(F)c2)cc1 ZINC000420414060 500457557 /nfs/dbraw/zinc/45/75/57/500457557.db2.gz UFYTZMNLDXOYLD-UIAACRFSSA-N 2 0 362.420 3.136 20 0 FGADRP O[C@@H]1CCC[C@H]1[NH+]1CCC([NH2+][C@@H](Cc2ccncc2)c2cccs2)CC1 ZINC000424277805 500480342 /nfs/dbraw/zinc/48/03/42/500480342.db2.gz CLEYLONGLSAQJK-XUVXKRRUSA-N 2 0 371.550 3.394 20 0 FGADRP COc1ccc([C@H](C)[NH2+]CC2CC[NH+](CCN(C)C)CC2)c(Cl)c1 ZINC000424309501 500484761 /nfs/dbraw/zinc/48/47/61/500484761.db2.gz ILACQHHTVRCEFU-HNNXBMFYSA-N 2 0 353.938 3.273 20 0 FGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+]Cc2csc(Cl)c2Cl)CC1 ZINC000432245216 500488455 /nfs/dbraw/zinc/48/84/55/500488455.db2.gz HHFDXEHQSPJEHN-GFCCVEGCSA-N 2 0 350.359 3.418 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N(C)C[C@H]2CCC[NH+]2C)cc1 ZINC000420776446 500497826 /nfs/dbraw/zinc/49/78/26/500497826.db2.gz FTBMQRJJZKXFQJ-WIYYLYMNSA-N 2 0 372.557 3.297 20 0 FGADRP Cc1cc(C[NH3+])cc(NC(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)c1 ZINC000424445746 500506677 /nfs/dbraw/zinc/50/66/77/500506677.db2.gz PBUGXZFGEFTGJM-HXUWFJFHSA-N 2 0 352.482 3.412 20 0 FGADRP Cc1cc(C[NH3+])cc(NC(=O)N2CCC[N@H+](Cc3ccccc3)CC2)c1 ZINC000424447496 500507093 /nfs/dbraw/zinc/50/70/93/500507093.db2.gz VLFLTJUCJDATTP-UHFFFAOYSA-N 2 0 352.482 3.194 20 0 FGADRP C[C@H]1C[N@H+](CCC[NH2+][C@H]2CCCOc3cc4c(cc32)CCC4)CCCO1 ZINC000432421680 500514732 /nfs/dbraw/zinc/51/47/32/500514732.db2.gz AOHDMENCZKOWTH-UWJYYQICSA-N 2 0 358.526 3.480 20 0 FGADRP Cc1cc(CNC(=O)N[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)cc(C)n1 ZINC000420857574 500516773 /nfs/dbraw/zinc/51/67/73/500516773.db2.gz ZVBGERBPRASCBQ-YLJYHZDGSA-N 2 0 352.482 3.161 20 0 FGADRP O=C(NC[C@@H]1CCC[N@H+](CCC23CC4CC(CC(C4)C2)C3)C1)[C@H]1CCC[NH2+]1 ZINC000582400592 506202410 /nfs/dbraw/zinc/20/24/10/506202410.db2.gz OHDSWCKYGRSFPL-FLZHYZPUSA-N 2 0 373.585 3.173 20 0 FGADRP CC(CC[NH+]1CC[C@H](O)CC12CCC2)CC[N@@H+]1CC[C@H](O)CC12CCC2 ZINC000421012498 500554156 /nfs/dbraw/zinc/55/41/56/500554156.db2.gz TXNRVIBSGJASHD-PMACEKPBSA-N 2 0 364.574 3.162 20 0 FGADRP C[NH+]1CCC(N2CCC([NH2+]Cc3ccc(C(F)(F)F)s3)CC2)CC1 ZINC000428853833 500566444 /nfs/dbraw/zinc/56/64/44/500566444.db2.gz BQYZXWPOCDKZHF-UHFFFAOYSA-N 2 0 361.477 3.415 20 0 FGADRP Cc1ccc(NC(=O)CCN2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)nc1 ZINC000447346808 500594499 /nfs/dbraw/zinc/59/44/99/500594499.db2.gz HCZQFGZRXAWEOU-OALUTQOASA-N 2 0 358.530 3.305 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2Cc3ccccc3N(C)C2)[C@@H](C)C1 ZINC000437092056 500601494 /nfs/dbraw/zinc/60/14/94/500601494.db2.gz YPHWWENMHOCMFY-ZJOUEHCJSA-N 2 0 359.558 3.022 20 0 FGADRP C[C@H](C[NH2+][C@H](Cc1ccc(F)cc1)c1ccccc1)N1CC[NH+](C)CC1 ZINC000447543393 500620943 /nfs/dbraw/zinc/62/09/43/500620943.db2.gz LLCJDYJACMXCBV-XMSQKQJNSA-N 2 0 355.501 3.335 20 0 FGADRP C[NH+]1CCC(O)(C[NH2+][C@@H]2CC[C@H](c3ccc(C(F)(F)F)cc3)C2)CC1 ZINC000442788911 500626441 /nfs/dbraw/zinc/62/64/41/500626441.db2.gz GDNIQXXRWKVYBZ-DOTOQJQBSA-N 2 0 356.432 3.388 20 0 FGADRP [NH3+]C1CC[NH+](CCCC(=O)Nc2ccccc2Cc2ccccc2)CC1 ZINC000433117451 500630228 /nfs/dbraw/zinc/63/02/28/500630228.db2.gz NMIBOPSXDQJVSM-UHFFFAOYSA-N 2 0 351.494 3.419 20 0 FGADRP COc1ccc2oc([C@H](C)NC(=O)CCC[NH+]3CCC([NH3+])CC3)c(C)c2c1 ZINC000433120827 500630707 /nfs/dbraw/zinc/63/07/07/500630707.db2.gz PIPQXDVMCOZZLU-HNNXBMFYSA-N 2 0 373.497 3.130 20 0 FGADRP [NH3+]C1CC[NH+](CCCC(=O)NCc2cccc(Oc3ccccc3)c2)CC1 ZINC000433131945 500632339 /nfs/dbraw/zinc/63/23/39/500632339.db2.gz AXSPKYRJJUSEAY-UHFFFAOYSA-N 2 0 367.493 3.298 20 0 FGADRP C[N@@H+]1CCN(CC[NH2+][C@H]2CCCOc3cc(Cl)ccc32)CC1(C)C ZINC000442866856 500636443 /nfs/dbraw/zinc/63/64/43/500636443.db2.gz JJJSQIHCELIFHE-KRWDZBQOSA-N 2 0 351.922 3.169 20 0 FGADRP [NH3+]CC[C@H]1CCC[N@H+](Cc2cn(-c3ccc(Cl)c(Cl)c3)nn2)C1 ZINC000442917698 500646482 /nfs/dbraw/zinc/64/64/82/500646482.db2.gz BEJVPYCEIBIUGB-GFCCVEGCSA-N 2 0 354.285 3.135 20 0 FGADRP Cc1cc(C(F)(F)F)ccc1C[NH2+]C1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000443005686 500661627 /nfs/dbraw/zinc/66/16/27/500661627.db2.gz XAOKQELCHHBXMB-ROUUACIJSA-N 2 0 356.432 3.481 20 0 FGADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H](O)Cc2ccc(C(F)(F)F)cc2)C[C@H]1C ZINC000437570842 500661910 /nfs/dbraw/zinc/66/19/10/500661910.db2.gz RDKIOPZXAMHJDJ-FHLIZLRMSA-N 2 0 358.448 3.413 20 0 FGADRP [NH3+]CC[C@H]1CCC[N@H+](CC(=O)N[C@@H](c2cccs2)c2ccccc2)C1 ZINC000443058243 500670302 /nfs/dbraw/zinc/67/03/02/500670302.db2.gz JVPBFVOYOIAZMC-OXQOHEQNSA-N 2 0 357.523 3.015 20 0 FGADRP [NH3+]CC[C@@H]1CCC[N@H+](CC(=O)Nc2cccc(Oc3ccccc3)c2)C1 ZINC000443059107 500671829 /nfs/dbraw/zinc/67/18/29/500671829.db2.gz MBCUGDSACWCJIX-KRWDZBQOSA-N 2 0 353.466 3.478 20 0 FGADRP Cc1ccc([C@H](CNC(=O)c2ccccc2C[NH+](C)C)[NH+]2CCCC2)o1 ZINC000433354315 500679544 /nfs/dbraw/zinc/67/95/44/500679544.db2.gz NVYYKIGSXXVLEB-IBGZPJMESA-N 2 0 355.482 3.217 20 0 FGADRP C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000447987568 500701875 /nfs/dbraw/zinc/70/18/75/500701875.db2.gz LBVJZPDEVWCPDJ-HXUWFJFHSA-N 2 0 372.557 3.202 20 0 FGADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)NCCC[NH+](C(C)C)C(C)C)C1 ZINC000448211312 500733428 /nfs/dbraw/zinc/73/34/28/500733428.db2.gz BZXGMKKSYSWXLS-LJQANCHMSA-N 2 0 354.583 3.163 20 0 FGADRP Cc1sc2nc(C)nc(N(CCC[NH+](C)C)CCC[NH+](C)C)c2c1C ZINC000433764456 500740935 /nfs/dbraw/zinc/74/09/35/500740935.db2.gz DXPDGUONVUFKML-UHFFFAOYSA-N 2 0 363.575 3.326 20 0 FGADRP c1cc(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)n(-c2ccccc2)n1 ZINC000448337883 500749254 /nfs/dbraw/zinc/74/92/54/500749254.db2.gz VLVZBSVLCRQLNE-UHFFFAOYSA-N 2 0 368.525 3.197 20 0 FGADRP O=C([C@@H]1CC[N@@H+](C2CCCCC2)C1)N1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000448449115 500761116 /nfs/dbraw/zinc/76/11/16/500761116.db2.gz PCUIHGFLEWTQNI-DBXWQHBBSA-N 2 0 359.558 3.116 20 0 FGADRP CC[NH+](CC)CCOc1ccc(C(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)cc1 ZINC000434057809 500788936 /nfs/dbraw/zinc/78/89/36/500788936.db2.gz GACGVDDYYICKDJ-HXUWFJFHSA-N 2 0 373.541 3.154 20 0 FGADRP O=C(N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH+]1C1CCCC1 ZINC000438582170 500804714 /nfs/dbraw/zinc/80/47/14/500804714.db2.gz SPVOCIQEVFYPRC-CTNGQTDRSA-N 2 0 355.526 3.174 20 0 FGADRP O=C(N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)[C@H]1CCC[NH+]1C1CCCC1 ZINC000438582179 500805157 /nfs/dbraw/zinc/80/51/57/500805157.db2.gz SPVOCIQEVFYPRC-TZIWHRDSSA-N 2 0 355.526 3.174 20 0 FGADRP Cc1ccc2[nH]c3c(c2c1)CCC[C@@H]3[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000438832465 500824776 /nfs/dbraw/zinc/82/47/76/500824776.db2.gz UVYLBTCUVUCUJN-NRFANRHFSA-N 2 0 354.542 3.471 20 0 FGADRP Cc1cc(N2CCC([NH2+]CC(C)(C)C[N@H+](C)Cc3ccccc3)CC2)n[nH]1 ZINC000438903890 500833631 /nfs/dbraw/zinc/83/36/31/500833631.db2.gz SJONZMRIHDBMFD-UHFFFAOYSA-N 2 0 369.557 3.435 20 0 FGADRP Cc1cc(N2CCC([NH2+]C3CC[NH+]([C@H]4CCCC[C@H]4C)CC3)CC2)n[nH]1 ZINC000439146783 500863826 /nfs/dbraw/zinc/86/38/26/500863826.db2.gz OEQGYGBDPXGKAK-UZLBHIALSA-N 2 0 359.562 3.320 20 0 FGADRP C[C@H](C[NH+]1CCC(C[NH+]2CCCC2)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000449012062 500896417 /nfs/dbraw/zinc/89/64/17/500896417.db2.gz XYOJYHNSJPDMDQ-QGZVFWFLSA-N 2 0 364.555 3.001 20 0 FGADRP Cc1ccc(C[N@@H+]2CCCN(C(=O)C[NH+]3CCCC34CCC4)CC2)cc1 ZINC000444785690 500900454 /nfs/dbraw/zinc/90/04/54/500900454.db2.gz RTMVHCKCLCEVIJ-UHFFFAOYSA-N 2 0 355.526 3.048 20 0 FGADRP CC(C)C[N@@H+]1CCO[C@@H](CNC2CC[NH+]([C@H](C)Cc3ccccc3)CC2)C1 ZINC000449058825 500913875 /nfs/dbraw/zinc/91/38/75/500913875.db2.gz MHFGMWSDTDRNMP-OFNKIYASSA-N 2 0 373.585 3.028 20 0 FGADRP CCC(CC)[C@@H](CNC(=O)NCC1CC[NH+](C2CC2)CC1)[NH+]1CCCC1 ZINC000444871121 500914257 /nfs/dbraw/zinc/91/42/57/500914257.db2.gz FERBVKRYWHCMBC-HXUWFJFHSA-N 2 0 364.578 3.061 20 0 FGADRP CCN1CC[NH+](CCCC[NH2+]Cc2cccc3c(OC)cccc23)CC1 ZINC000449080271 500919785 /nfs/dbraw/zinc/91/97/85/500919785.db2.gz UTIXPJYAULRAAA-UHFFFAOYSA-N 2 0 355.526 3.356 20 0 FGADRP CC[NH+]1CCN(c2ccc(C[NH2+]C[C@H](C)c3cc(F)cc(F)c3)cn2)CC1 ZINC000449082193 500920310 /nfs/dbraw/zinc/92/03/10/500920310.db2.gz LITFSMVTAJTZAX-INIZCTEOSA-N 2 0 374.479 3.395 20 0 FGADRP C[C@H](Cc1coc2ccccc12)[NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000449083487 500921249 /nfs/dbraw/zinc/92/12/49/500921249.db2.gz UHMMMDLOZGGITQ-QGZVFWFLSA-N 2 0 364.493 3.300 20 0 FGADRP C[NH+](C)CCNC(=O)c1cccc(C[NH2+]Cc2cccc3ccoc32)c1 ZINC000449116691 500928877 /nfs/dbraw/zinc/92/88/77/500928877.db2.gz MFRVMDLQIQQIHF-UHFFFAOYSA-N 2 0 351.450 3.014 20 0 FGADRP C[C@H]([NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1)[C@H]1CCCC[C@H]1C ZINC000449120160 500929600 /nfs/dbraw/zinc/92/96/00/500929600.db2.gz CBFSKGMQMOKVDL-AABGKKOBSA-N 2 0 359.562 3.183 20 0 FGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+][C@H]2CSC[C@@H]2C)CC1 ZINC000449132507 500931893 /nfs/dbraw/zinc/93/18/93/500931893.db2.gz UUCKXFHWFOTTQV-MPGHIAIKSA-N 2 0 351.535 3.370 20 0 FGADRP C[C@H](Cc1ccccc1)[NH+]1CCC(NC[C@]2([NH+](C)C)CCSC2)CC1 ZINC000449174968 500941411 /nfs/dbraw/zinc/94/14/11/500941411.db2.gz JGNRIQPBJBZKLB-WIYYLYMNSA-N 2 0 361.599 3.109 20 0 FGADRP O=C(NC[C@H]1CC[N@H+](CCc2ccccc2)C1)[C@@H]1CCC[NH+]1C1CCCC1 ZINC000439844138 500945080 /nfs/dbraw/zinc/94/50/80/500945080.db2.gz SVMLKKMCQBYXKN-IRLDBZIGSA-N 2 0 369.553 3.074 20 0 FGADRP C[C@H](C[NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1cc(F)cc(F)c1 ZINC000449233774 500953918 /nfs/dbraw/zinc/95/39/18/500953918.db2.gz MZIIQRDZJRQHDX-VFNWGFHPSA-N 2 0 360.448 3.425 20 0 FGADRP COc1cc(C[NH+]2CCC([C@@H](C)[NH3+])CC2)ccc1OCc1ccncc1 ZINC000435372603 500961141 /nfs/dbraw/zinc/96/11/41/500961141.db2.gz KHZFHWXASHMLHP-MRXNPFEDSA-N 2 0 355.482 3.228 20 0 FGADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3cn(-c4ccccc4)nc3-c3ccncc3)C[C@@H]21 ZINC000435382644 500964482 /nfs/dbraw/zinc/96/44/82/500964482.db2.gz DXYYXDPQCRAEGL-YUXAGFNASA-N 2 0 373.504 3.494 20 0 FGADRP Cc1nn(-c2ccc(Br)cc2)c(C)c1C[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000435388011 500965576 /nfs/dbraw/zinc/96/55/76/500965576.db2.gz DHVXYFUBVZGOSP-AWEZNQCLSA-N 2 0 363.303 3.032 20 0 FGADRP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](Cc2cn(-c3ccccc3)nc2-c2ccncc2)C1 ZINC000435387048 500965657 /nfs/dbraw/zinc/96/56/57/500965657.db2.gz WPKBWLTWZDYLFZ-IEBWSBKVSA-N 2 0 361.493 3.494 20 0 FGADRP COc1cc(CN2CCCC[C@H]2[C@@H](C)[NH3+])ccc1OCc1ccncc1 ZINC000435391440 500966767 /nfs/dbraw/zinc/96/67/67/500966767.db2.gz WQPKTQILYMFLHO-APWZRJJASA-N 2 0 355.482 3.371 20 0 FGADRP CC[C@@H]1CN(CC[NH2+]C2CC[NH+](C(C)(C)CC(C)(C)C)CC2)CCO1 ZINC000449289238 500967258 /nfs/dbraw/zinc/96/72/58/500967258.db2.gz RIYKVJUNYACFMC-LJQANCHMSA-N 2 0 353.595 3.366 20 0 FGADRP CC[C@@H]1C[C@H](C[N@H+](Cc2nccn2CC)[C@@H]2CC23CC[NH2+]CC3)CCO1 ZINC000435437001 500976638 /nfs/dbraw/zinc/97/66/38/500976638.db2.gz IBZLHDAQZVIZSS-GUDVDZBRSA-N 2 0 360.546 3.052 20 0 FGADRP CC[C@@H]1C[C@@H](C[N@H+](Cc2nccn2CC)[C@H]2CC23CC[NH2+]CC3)CCO1 ZINC000435437003 500977013 /nfs/dbraw/zinc/97/70/13/500977013.db2.gz IBZLHDAQZVIZSS-OTWHNJEPSA-N 2 0 360.546 3.052 20 0 FGADRP CC(C)N(CC[NH+](C)C)C(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000440208943 500987317 /nfs/dbraw/zinc/98/73/17/500987317.db2.gz BCLWJWWDBDCOBG-UHFFFAOYSA-N 2 0 352.567 3.157 20 0 FGADRP C[C@H]1CCC[C@H]([NH+]2CCC([NH2+]C3CCC(CS(C)(=O)=O)CC3)CC2)C1 ZINC000449371184 500989151 /nfs/dbraw/zinc/98/91/51/500989151.db2.gz RFHJONUCHPSMJQ-NNZWXOEDSA-N 2 0 370.603 3.223 20 0 FGADRP CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC000440263810 500992442 /nfs/dbraw/zinc/99/24/42/500992442.db2.gz GEIFEWNSTDVOAM-IFMALSPDSA-N 2 0 369.553 3.374 20 0 FGADRP FC(F)(F)c1cc(C[NH2+]C2CCN(Cc3ccncc3)CC2)ccn1 ZINC000449438018 501003058 /nfs/dbraw/zinc/00/30/58/501003058.db2.gz NQTFDCFJQTUCRD-UHFFFAOYSA-N 2 0 350.388 3.250 20 0 FGADRP CN(c1ccccc1)c1ccc(C[NH2+]CCCC[N@@H+]2CCC[C@H]2CO)cn1 ZINC000435778075 501027525 /nfs/dbraw/zinc/02/75/25/501027525.db2.gz KYDISZRDUANNIG-NRFANRHFSA-N 2 0 368.525 3.176 20 0 FGADRP C[C@@H](C(=O)N1CC[C@@H](C)[NH+](Cc2ccccc2)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000440670731 501037207 /nfs/dbraw/zinc/03/72/07/501037207.db2.gz NQNKIGANCCSFEX-ZRNYENFQSA-N 2 0 357.542 3.371 20 0 FGADRP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000435891429 501042143 /nfs/dbraw/zinc/04/21/43/501042143.db2.gz FFNTVYGFWCZDHN-UCNVEGJOSA-N 2 0 355.526 3.067 20 0 FGADRP CC(C)[C@@H](CNC(=O)NC1CCC(C[NH+](C)C)CC1)[NH+]1CCC(C)CC1 ZINC000440808569 501050791 /nfs/dbraw/zinc/05/07/91/501050791.db2.gz MNRAVTJGIFMXSA-SOAGJPPSSA-N 2 0 366.594 3.163 20 0 FGADRP C[NH+](C)[C@H](CNC(=O)C[NH2+][C@H]1CCC[C@@H]1c1ccccc1)c1ccccc1 ZINC000446002794 501061326 /nfs/dbraw/zinc/06/13/26/501061326.db2.gz PENBSNFHPVMXID-BHIFYINESA-N 2 0 365.521 3.331 20 0 FGADRP C[C@H](C(=O)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000440925315 501064281 /nfs/dbraw/zinc/06/42/81/501064281.db2.gz WXFFTUOFTCRQSG-WAOWUJCRSA-N 2 0 369.553 3.071 20 0 FGADRP C[NH+](Cc1cc(C[N@@H+](C)[C@@H]2CCOC2)cc(C(F)(F)F)c1)[C@@H]1CCOC1 ZINC000450389906 501108941 /nfs/dbraw/zinc/10/89/41/501108941.db2.gz KVLXDTYHCKINFC-QZTJIDSGSA-N 2 0 372.431 3.147 20 0 FGADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1cc(Cl)cc(C(F)(F)F)c1 ZINC000436411286 501122916 /nfs/dbraw/zinc/12/29/16/501122916.db2.gz LRZLUFVSEPBESK-CYBMUJFWSA-N 2 0 363.855 3.474 20 0 FGADRP CC[NH+]1CCC(CC[NH2+][C@H](CCn2cncn2)c2ccc(C)cc2)CC1 ZINC000446828318 501169230 /nfs/dbraw/zinc/16/92/30/501169230.db2.gz SUEXLSWGLYSAAA-OAQYLSRUSA-N 2 0 355.530 3.430 20 0 FGADRP C[C@@H]1C[C@@H](NC(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)CC[N@@H+]1C ZINC000607722326 506239275 /nfs/dbraw/zinc/23/92/75/506239275.db2.gz YMGCJFKVGVDION-XLIONFOSSA-N 2 0 358.530 3.319 20 0 FGADRP CC[NH+](CC)C[C@H]1CCCC[C@H]1NC(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000447035713 501196073 /nfs/dbraw/zinc/19/60/73/501196073.db2.gz DBBJVJXCIZIGED-UYAOXDASSA-N 2 0 364.578 3.061 20 0 FGADRP CCC1([NH2+]CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)CCCC1 ZINC000451271231 501256737 /nfs/dbraw/zinc/25/67/37/501256737.db2.gz CXIYOAVGAPDUNA-UHFFFAOYSA-N 2 0 361.555 3.486 20 0 FGADRP C[C@@H]1CN(CCC[NH2+]Cc2ccc(C(=O)OC(C)(C)C)s2)C[C@H](C)O1 ZINC000598956208 506242871 /nfs/dbraw/zinc/24/28/71/506242871.db2.gz SOJBYLPIBTVUEO-GASCZTMLSA-N 2 0 368.543 3.292 20 0 FGADRP CCn1ccnc1[C@H](C)[NH2+]CCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000453062460 501261166 /nfs/dbraw/zinc/26/11/66/501261166.db2.gz MPSNRNGHTAZDGJ-FQEVSTJZSA-N 2 0 369.557 3.152 20 0 FGADRP O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1CCCC[NH+]1C1CCCC1 ZINC000451323650 501264859 /nfs/dbraw/zinc/26/48/59/501264859.db2.gz VXADTMBIYQJPLW-RBBKRZOGSA-N 2 0 369.553 3.422 20 0 FGADRP CCC(CC)[C@H](CNC(=O)N1CC[C@@]2(C1)CCC[N@H+](C)C2)[NH+]1CCCC1 ZINC000457621546 501270235 /nfs/dbraw/zinc/27/02/35/501270235.db2.gz QCQUSXXRMHUBTG-FPOVZHCZSA-N 2 0 364.578 3.014 20 0 FGADRP COC1([C@H](C)[NH2+]CC[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)CCOCC1 ZINC000453179618 501286612 /nfs/dbraw/zinc/28/66/12/501286612.db2.gz UYIFFJAICJPTRK-ZJOUEHCJSA-N 2 0 360.542 3.461 20 0 FGADRP CCNC(=O)C1(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)CCC1 ZINC000453224794 501294458 /nfs/dbraw/zinc/29/44/58/501294458.db2.gz XASWYOPKMQIDLP-PWRODBHTSA-N 2 0 369.553 3.326 20 0 FGADRP C[C@@H]1CCCC[C@H]1[NH+]1CCC([N@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)CC1 ZINC000453277359 501306290 /nfs/dbraw/zinc/30/62/90/501306290.db2.gz JEFVEFOGSUMPJD-RCLSDMTESA-N 2 0 369.553 3.311 20 0 FGADRP C[C@@H]1CCC[C@H]([NH+]2CCC([N@H+]3C[C@H]4C[C@H](Cn5c(=O)cccc54)C3)CC2)C1 ZINC000453286651 501308008 /nfs/dbraw/zinc/30/80/08/501308008.db2.gz RADYERICGMXDFX-HDAAZOAOSA-N 2 0 369.553 3.311 20 0 FGADRP CCCOc1c(OC)cc(CC[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)cc1OC ZINC000453305040 501311846 /nfs/dbraw/zinc/31/18/46/501311846.db2.gz GPRIRZNFRWGETA-XYJFISCASA-N 2 0 364.530 3.353 20 0 FGADRP CC1CC[NH+](CCCNC(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)CC1 ZINC000455854895 501400594 /nfs/dbraw/zinc/40/05/94/501400594.db2.gz GQUCDHFUAIDIPV-HXUWFJFHSA-N 2 0 358.530 3.479 20 0 FGADRP C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000455868714 501403150 /nfs/dbraw/zinc/40/31/50/501403150.db2.gz VYZSCEMJUWZWJJ-YSGRDPCXSA-N 2 0 356.514 3.326 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N1CCC[C@H]([NH+]2CCCC2)C1)c1ccccc1 ZINC000611675178 506251028 /nfs/dbraw/zinc/25/10/28/506251028.db2.gz QUXOAKUJYJFQTL-LEWJYISDSA-N 2 0 372.557 3.339 20 0 FGADRP CC[NH+]1CCN(CC(C)(C)[NH2+]CCc2cccc(OC(F)(F)F)c2)CC1 ZINC000451977083 501412196 /nfs/dbraw/zinc/41/21/96/501412196.db2.gz CRKYKJQLPYMTHZ-UHFFFAOYSA-N 2 0 373.463 3.133 20 0 FGADRP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000455950535 501423954 /nfs/dbraw/zinc/42/39/54/501423954.db2.gz ZSDAHPKWYCSJMH-WSTZPKSXSA-N 2 0 356.514 3.326 20 0 FGADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)N1CC[N@@H+](C2CC2)C[C@H](C)C1)c1ccccc1 ZINC000458376384 501430421 /nfs/dbraw/zinc/43/04/21/501430421.db2.gz QNONWLPITTUKSA-ZWKOTPCHSA-N 2 0 372.557 3.242 20 0 FGADRP C[C@@H]1C[C@@H](NC(=O)NCC[C@H]2CCC[NH+](C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000458495533 501458596 /nfs/dbraw/zinc/45/85/96/501458596.db2.gz MNFOHXSFVMMHPQ-NRSPTQNISA-N 2 0 372.557 3.071 20 0 FGADRP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000458512548 501463297 /nfs/dbraw/zinc/46/32/97/501463297.db2.gz YIHPTPBSZPJJDD-NRSPTQNISA-N 2 0 372.557 3.164 20 0 FGADRP C[C@@H]1C[C@H](NC(=O)NC(C)(C)CCC[NH+](C)C)C[N@@H+]1Cc1ccccc1 ZINC000458575548 501478264 /nfs/dbraw/zinc/47/82/64/501478264.db2.gz XVJXSSODRJRUEB-MJGOQNOKSA-N 2 0 360.546 3.069 20 0 FGADRP O=C(NCCCCC[NH+]1CCCC1)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000454251556 501492294 /nfs/dbraw/zinc/49/22/94/501492294.db2.gz QYHRTDSHPKPWPJ-UHFFFAOYSA-N 2 0 372.557 3.348 20 0 FGADRP C[C@H](NC(=O)NCCCCC[NH+]1CCCC1)[C@@H](c1ccccc1)[NH+](C)C ZINC000458759379 501524858 /nfs/dbraw/zinc/52/48/58/501524858.db2.gz GGPGKKLGOFKNSQ-ICSRJNTNSA-N 2 0 360.546 3.243 20 0 FGADRP CCn1ccnc1[C@H](C)NC(=O)NC[C@@H](c1ccc(C)o1)[NH+]1CCCC1 ZINC000454420496 501540396 /nfs/dbraw/zinc/54/03/96/501540396.db2.gz DJIUGBXYLCRFOD-HOTGVXAUSA-N 2 0 359.474 3.002 20 0 FGADRP CC[C@@H](C)[NH+]1CCN(C(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000456521688 501541302 /nfs/dbraw/zinc/54/13/02/501541302.db2.gz CQFZNYDYHQSAEX-LJQANCHMSA-N 2 0 357.542 3.231 20 0 FGADRP CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000458940921 501562604 /nfs/dbraw/zinc/56/26/04/501562604.db2.gz RVNXPGSEZGISBV-IBGZPJMESA-N 2 0 364.578 3.157 20 0 FGADRP CC[C@@H]1C[C@H]1CNC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC000458983987 501571023 /nfs/dbraw/zinc/57/10/23/501571023.db2.gz DVYVVUKNVDHAHA-LCLWPZTBSA-N 2 0 364.578 3.011 20 0 FGADRP CCn1ccnc1[C@@H](C)NC(=O)N1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000459097210 501593762 /nfs/dbraw/zinc/59/37/62/501593762.db2.gz DTEVESWIDMXIAF-QGZVFWFLSA-N 2 0 369.513 3.270 20 0 FGADRP CC[NH+](CC)CC(=O)Nc1cc(Cl)ccc1OC1CC[NH+](C)CC1 ZINC000456787121 501598093 /nfs/dbraw/zinc/59/80/93/501598093.db2.gz GEXCROXMYNEUOI-UHFFFAOYSA-N 2 0 353.894 3.093 20 0 FGADRP CC(C)OC[C@@H](O)C[N@@H+]1CC(C)(C)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000453017198 501602276 /nfs/dbraw/zinc/60/22/76/501602276.db2.gz MSKUJJQPIKZQAF-VXKWHMMOSA-N 2 0 374.569 3.395 20 0 FGADRP CN(C(=O)NCCCC[NH+](C)C1CC1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000459158321 501605401 /nfs/dbraw/zinc/60/54/01/501605401.db2.gz NCOCZKAECQPXKS-OAQYLSRUSA-N 2 0 372.557 3.167 20 0 FGADRP C[C@@H](c1ccc(NC(=O)NC(C)(C)C[NH+]2CCCC2)cc1)N1CCOCC1 ZINC000454780541 501628120 /nfs/dbraw/zinc/62/81/20/501628120.db2.gz WGDMKSIDZUJNTQ-KRWDZBQOSA-N 2 0 374.529 3.076 20 0 FGADRP C[C@@H]1CN(C(=O)NCC[C@@H]2CCC[NH+](C)C2)[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC000459326193 501631661 /nfs/dbraw/zinc/63/16/61/501631661.db2.gz WVFRFLHQDOELRW-DYXWJJEUSA-N 2 0 372.557 3.023 20 0 FGADRP C[C@@H]1CN(c2ccccc2CN2CCC[C@H]([NH+]3CCCC3)CC2)CCO1 ZINC000459350819 501637231 /nfs/dbraw/zinc/63/72/31/501637231.db2.gz SVBYQDKIGBISND-CTNGQTDRSA-N 2 0 357.542 3.362 20 0 FGADRP C[C@H]1CN(c2ccccc2CN2CCC[C@@H]([NH+]3CCCC3)CC2)CCO1 ZINC000459350821 501637396 /nfs/dbraw/zinc/63/73/96/501637396.db2.gz SVBYQDKIGBISND-PZJWPPBQSA-N 2 0 357.542 3.362 20 0 FGADRP CCO[C@@H]1C[C@H]([NH2+]CC2CC[NH+](Cc3cccs3)CC2)[C@@H]1SC ZINC000459393533 501645535 /nfs/dbraw/zinc/64/55/35/501645535.db2.gz VWKRZFLBUQUJMX-KSZLIROESA-N 2 0 354.585 3.459 20 0 FGADRP CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)[C@H]1SC ZINC000459414127 501649369 /nfs/dbraw/zinc/64/93/69/501649369.db2.gz PSIUDLCGARVWTI-VAMGGRTRSA-N 2 0 364.555 3.160 20 0 FGADRP O=C(NC1CC[NH+](CCc2ccccc2)CC1)C1C[NH+](C2CCCCC2)C1 ZINC000457452780 501701280 /nfs/dbraw/zinc/70/12/80/501701280.db2.gz RUZQSSNZUZKIMD-UHFFFAOYSA-N 2 0 369.553 3.074 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)NCc1ccc2c[nH+]cn2c1)c1ccccc1 ZINC000457462468 501703334 /nfs/dbraw/zinc/70/33/34/501703334.db2.gz UCBQPGQMGIJZRG-FQEVSTJZSA-N 2 0 365.481 3.217 20 0 FGADRP CCCN(CC[NH+]1CCCCCC1)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000460110324 501727136 /nfs/dbraw/zinc/72/71/36/501727136.db2.gz HKDHPLGVGPNVPE-UHFFFAOYSA-N 2 0 364.578 3.158 20 0 FGADRP Cc1nc(C[N@@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)sc1C ZINC000477636715 501746845 /nfs/dbraw/zinc/74/68/45/501746845.db2.gz MJAXHCOOPZSDAU-UHFFFAOYSA-N 2 0 364.603 3.388 20 0 FGADRP CC1CC[NH+](C[C@H]2CCCN(C(=O)C3(C[NH+](C)C)CCCCC3)C2)CC1 ZINC000460188462 501753582 /nfs/dbraw/zinc/75/35/82/501753582.db2.gz IRCLOUUEDSKMQT-HXUWFJFHSA-N 2 0 363.590 3.469 20 0 FGADRP CCCN(CCC[NH+](C)C)C(=O)c1ccc(C[NH+]2CCSCC2)cc1 ZINC000470679624 501765128 /nfs/dbraw/zinc/76/51/28/501765128.db2.gz BCFPGYQYYQBOLE-UHFFFAOYSA-N 2 0 363.571 3.039 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C2CC(OCc3ccccc3)C2)[C@@H](C)C1 ZINC000463572085 501765691 /nfs/dbraw/zinc/76/56/91/501765691.db2.gz XFFZWWUWNHZZGB-ZXDFIECXSA-N 2 0 360.542 3.461 20 0 FGADRP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+]C2CC[NH+]([C@H]3CCC[C@H]3O)CC2)C1 ZINC000467350365 501775059 /nfs/dbraw/zinc/77/50/59/501775059.db2.gz PMUAAVSZJGAFHL-BVOGOJNSSA-N 2 0 357.542 3.384 20 0 FGADRP Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+][C@@H](CC(C)C)C(=O)NCC[NH+](C)C)C1 ZINC000467358784 501776714 /nfs/dbraw/zinc/77/67/14/501776714.db2.gz MCMJWSCTAMKHBC-AQNXPRMDSA-N 2 0 374.573 3.098 20 0 FGADRP C[C@@H](Cc1cccc(C(F)(F)F)c1)[NH2+]C[C@H](O)C[NH+]1CCC(C)CC1 ZINC000467368708 501778688 /nfs/dbraw/zinc/77/86/88/501778688.db2.gz IKENFDVQTIEHDN-YJBOKZPZSA-N 2 0 358.448 3.319 20 0 FGADRP C[C@@H]1CC[C@H]([NH2+]Cc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)C[C@@H]1C ZINC000463736425 501806621 /nfs/dbraw/zinc/80/66/21/501806621.db2.gz OQUBGGOTEIZTNO-LQWHRVPQSA-N 2 0 357.542 3.427 20 0 FGADRP C[C@@H]1C[NH+](CCC2CC[NH+](CCCO[C@@H]3CCCCO3)CC2)C[C@@H](C)O1 ZINC000460383395 501810502 /nfs/dbraw/zinc/81/05/02/501810502.db2.gz IAKYWFNHLFLCCQ-SFHLNBCPSA-N 2 0 368.562 3.131 20 0 FGADRP C[C@@H]([NH2+][C@@H]1CC(=O)N(c2ccccc2)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000477855717 501811025 /nfs/dbraw/zinc/81/10/25/501811025.db2.gz ILOXKDNQNWYRDC-IEBWSBKVSA-N 2 0 367.493 3.083 20 0 FGADRP COC(=O)c1csc(-c2cccc(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)c2)n1 ZINC000477859778 501811710 /nfs/dbraw/zinc/81/17/10/501811710.db2.gz UTXSMDAOHZLTQN-IAGOWNOFSA-N 2 0 371.506 3.313 20 0 FGADRP CC[C@]1(C(=O)N2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)CCC[NH2+]1 ZINC000467697350 501847258 /nfs/dbraw/zinc/84/72/58/501847258.db2.gz XVXWYYVQZBMPTN-FCHUYYIVSA-N 2 0 355.526 3.033 20 0 FGADRP CC[NH+]1CCN(Cc2ccccc2C[NH2+]CCCc2ccc(C)nc2)CC1 ZINC000474482990 501850910 /nfs/dbraw/zinc/85/09/10/501850910.db2.gz RCFJIVQIWYYFIR-UHFFFAOYSA-N 2 0 366.553 3.250 20 0 FGADRP CC(C)n1nccc1C[NH2+]CCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000474606484 501891197 /nfs/dbraw/zinc/89/11/97/501891197.db2.gz WEQBIAYUAPRISC-UHFFFAOYSA-N 2 0 369.557 3.152 20 0 FGADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NC[C@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC000467973650 501916693 /nfs/dbraw/zinc/91/66/93/501916693.db2.gz NUVGLEQACXCKCZ-SVFBPWRDSA-N 2 0 357.542 3.449 20 0 FGADRP C[C@@H]1C[C@@H](NC(=O)N(CC[NH+](C)C)C2CCCC2)C[N@@H+]1Cc1ccccc1 ZINC000468018677 501931629 /nfs/dbraw/zinc/93/16/29/501931629.db2.gz ACBYEWGZGNPFRS-UYAOXDASSA-N 2 0 372.557 3.165 20 0 FGADRP CC(C)C[C@H](CNC(=O)N1CC[N@H+](C)CC[C@H]1C)[NH2+][C@H](C)c1ccccc1 ZINC000468023066 501932471 /nfs/dbraw/zinc/93/24/71/501932471.db2.gz VDYGVJQGXCSUKE-SFHLNBCPSA-N 2 0 374.573 3.488 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)N(CC[NH+](C)C)C1CCCC1)c1ccco1 ZINC000468042873 501939497 /nfs/dbraw/zinc/93/94/97/501939497.db2.gz OVAQNMCZIGFSMR-SFHVURJKSA-N 2 0 364.534 3.178 20 0 FGADRP O[C@H]1CC[N@H+](Cc2ccccc2C[NH2+][C@H](c2cccnc2)C2CCC2)C1 ZINC000481995838 501939748 /nfs/dbraw/zinc/93/97/48/501939748.db2.gz XOOBCOOFZMMNDA-VXKWHMMOSA-N 2 0 351.494 3.279 20 0 FGADRP CC(C)[C@H](C(=O)NC[C@@H](c1cccs1)[NH+]1CCC(C)CC1)[NH+](C)C ZINC000471172177 501946173 /nfs/dbraw/zinc/94/61/73/501946173.db2.gz FFYVUBRHGKCNAE-FUHWJXTLSA-N 2 0 351.560 3.224 20 0 FGADRP C[C@H]([NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1)c1ccc2c(c1)CCC2 ZINC000482115207 501978650 /nfs/dbraw/zinc/97/86/50/501978650.db2.gz QTTFRBWDSXGHJG-IBGZPJMESA-N 2 0 364.537 3.433 20 0 FGADRP COC(=O)CC1CCC([NH2+][C@H](Cc2nccn2C)c2ccccc2)CC1 ZINC000599029278 506285927 /nfs/dbraw/zinc/28/59/27/506285927.db2.gz FJSQJHYYTVSIPR-NKELODKYSA-N 2 0 355.482 3.415 20 0 FGADRP Cc1cc(NC(=O)C[NH+]2CCC(C)CC2)ccc1OCC[NH+]1CCCC1 ZINC000475051577 502037816 /nfs/dbraw/zinc/03/78/16/502037816.db2.gz PFDJZHGQYXYSMG-UHFFFAOYSA-N 2 0 359.514 3.140 20 0 FGADRP CCCN(CCC[NH+](C)C)C(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000468442207 502059963 /nfs/dbraw/zinc/05/99/63/502059963.db2.gz JPFIYXFOXHTXSS-HXUWFJFHSA-N 2 0 360.546 3.197 20 0 FGADRP C[C@@H](CNC(=O)NC1CC[NH+](C2CCCCC2)CC1)[N@@H+]1CCCC[C@H]1C ZINC000475112908 502063578 /nfs/dbraw/zinc/06/35/78/502063578.db2.gz UMSUEHHVDHZTML-MSOLQXFVSA-N 2 0 364.578 3.346 20 0 FGADRP Cc1ccccc1[C@H]([NH2+]CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)C1CC1 ZINC000475136462 502075377 /nfs/dbraw/zinc/07/53/77/502075377.db2.gz HSMCZQLKROVPTI-JTHBVZDNSA-N 2 0 365.521 3.455 20 0 FGADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCC[C@@H](CC(=O)OC(C)C)C1 ZINC000468486981 502077061 /nfs/dbraw/zinc/07/70/61/502077061.db2.gz JDOKXGBPIFLJKU-KRWDZBQOSA-N 2 0 356.470 3.129 20 0 FGADRP C[C@H](CNC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)C[NH+]1CCCCC1 ZINC000475140333 502077112 /nfs/dbraw/zinc/07/71/12/502077112.db2.gz RYWNOHAXCRJXKQ-TZIWHRDSSA-N 2 0 372.557 3.024 20 0 FGADRP COC(=O)CC1CCC([NH2+]Cc2ccc(OC3CC[NH+](C)CC3)cc2)CC1 ZINC000599048798 506292263 /nfs/dbraw/zinc/29/22/63/506292263.db2.gz OVSNFTSVDQRGTF-UHFFFAOYSA-N 2 0 374.525 3.371 20 0 FGADRP CC[C@@H]([NH2+][C@H](C)CCN1CC[NH+](C)CC1)c1cc(Cl)ccc1OC ZINC000471620252 502089796 /nfs/dbraw/zinc/08/97/96/502089796.db2.gz PWQJTPWHAWWZDU-CRAIPNDOSA-N 2 0 353.938 3.415 20 0 FGADRP COc1ccc2cc([C@@H](C)[NH2+]CCC[N@@H+]3CCC[C@@H](C(N)=O)C3)ccc2c1 ZINC000482534675 502103897 /nfs/dbraw/zinc/10/38/97/502103897.db2.gz JUMSDFKQGQDZTE-OXQOHEQNSA-N 2 0 369.509 3.086 20 0 FGADRP CC(C)c1ccc(NC(=O)C[C@@H](C)[NH2+]CCCN2CCC[N@H+](C)CC2)cc1 ZINC000482548078 502107496 /nfs/dbraw/zinc/10/74/96/502107496.db2.gz MAGKVGUVXHFZCR-LJQANCHMSA-N 2 0 374.573 3.144 20 0 FGADRP O=C([C@H]1CCC[N@H+](Cc2ccccc2)C1)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000461438095 502115033 /nfs/dbraw/zinc/11/50/33/502115033.db2.gz KFSSSFUSZNIZGQ-VXKWHMMOSA-N 2 0 369.553 3.233 20 0 FGADRP C[N@@H+]1CCCC[C@@H]1CCC(=O)N1C[C@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000461448082 502118395 /nfs/dbraw/zinc/11/83/95/502118395.db2.gz OTISRGJYVFNZJX-YPAWHYETSA-N 2 0 369.553 3.231 20 0 FGADRP OC[C@H]1CCC[N@@H+]1CCCC[NH2+][C@H]1CCCc2nn(-c3ccccc3)cc21 ZINC000479071685 502155173 /nfs/dbraw/zinc/15/51/73/502155173.db2.gz SYANPPBZVLVRJW-CTNGQTDRSA-N 2 0 368.525 3.076 20 0 FGADRP [NH3+]C[C@@H](Cc1ccccc1)[C@@H]1CCCC[N@@H+]1CCC(=O)NC1CCCC1 ZINC000471875208 502161920 /nfs/dbraw/zinc/16/19/20/502161920.db2.gz WJXUTRQDNSTOMM-CTNGQTDRSA-N 2 0 357.542 3.107 20 0 FGADRP CCN(CCC[NH+]1CCCC1)C(=O)N[C@H](C)C[N@H+](C)Cc1ccccc1 ZINC000461721615 502179024 /nfs/dbraw/zinc/17/90/24/502179024.db2.gz GGMGSKJWOARHID-LJQANCHMSA-N 2 0 360.546 3.024 20 0 FGADRP CCCC[N@H+](C)C[C@H](C)NC(=O)N1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000461799546 502206762 /nfs/dbraw/zinc/20/67/62/502206762.db2.gz QABUDIRPPLPJRE-XUVXKRRUSA-N 2 0 366.594 3.403 20 0 FGADRP CCCC[N@H+](C)C[C@H](C)NC(=O)N(C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000461801088 502206916 /nfs/dbraw/zinc/20/69/16/502206916.db2.gz LEQAPFDGLCLHIB-PZJWPPBQSA-N 2 0 374.573 3.270 20 0 FGADRP CC[NH2+][C@H](C)CNC(=O)[C@H](c1cccc(C(F)(F)F)c1)[NH+](CC)CC ZINC000479333586 502227481 /nfs/dbraw/zinc/22/74/81/502227481.db2.gz GKGYDBQVQOSJKE-CJNGLKHVSA-N 2 0 359.436 3.203 20 0 FGADRP O[C@@H]1CC[N@H+](Cc2ccccc2C[NH2+]Cc2cc3ccc(F)cc3[nH]2)C1 ZINC000486718624 502242278 /nfs/dbraw/zinc/24/22/78/502242278.db2.gz DPGMBVXIDBMNBM-HXUWFJFHSA-N 2 0 353.441 3.163 20 0 FGADRP C[NH+]1CCN(CCC(C)(C)[NH2+]Cc2ccc(Br)cc2F)CC1 ZINC000472148641 502249015 /nfs/dbraw/zinc/24/90/15/502249015.db2.gz ADOQEJXCCGSWOU-UHFFFAOYSA-N 2 0 372.326 3.094 20 0 FGADRP CCc1ccc([C@H](C)NC(=O)N(CC[NH+](C)C)C[C@H]2CCC[N@H+]2CC)cc1 ZINC000465420086 502256474 /nfs/dbraw/zinc/25/64/74/502256474.db2.gz HNYWIVSNNHFFOM-GHTZIAJQSA-N 2 0 374.573 3.368 20 0 FGADRP CCCC[N@H+](C)C[C@@H](C)NC(=O)N(C)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000462007757 502272205 /nfs/dbraw/zinc/27/22/05/502272205.db2.gz GYVYOEMTVVTZPL-UYAOXDASSA-N 2 0 360.546 3.023 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H]2CCCN(c3ccccc3)C2)[C@@H](C)C1 ZINC000483126121 502282872 /nfs/dbraw/zinc/28/28/72/502282872.db2.gz BQUDJADNPFJEKG-ONTIZHBOSA-N 2 0 359.558 3.382 20 0 FGADRP CC[N@@H+](CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1)CC1CCC1 ZINC000483128616 502283550 /nfs/dbraw/zinc/28/35/50/502283550.db2.gz IIVVEUCMZPEYSG-UHFFFAOYSA-N 2 0 357.542 3.198 20 0 FGADRP CC[N@H+](CCNC(=O)N1CCC(CC[NH+]2CCCC[C@H]2C)CC1)C1CC1 ZINC000479520663 502284718 /nfs/dbraw/zinc/28/47/18/502284718.db2.gz YKPCNHSHVFVRRE-GOSISDBHSA-N 2 0 364.578 3.157 20 0 FGADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2cc(-c3ccc(F)cc3)no2)C1 ZINC000472257618 502287339 /nfs/dbraw/zinc/28/73/39/502287339.db2.gz IKCLMRQPSGHXES-GOSISDBHSA-N 2 0 361.461 3.413 20 0 FGADRP CC[NH+](CC)[C@H](C)CNC(=O)N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000465530087 502291537 /nfs/dbraw/zinc/29/15/37/502291537.db2.gz YREIYOVEWTWINP-RTBURBONSA-N 2 0 360.546 3.023 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)NCc1ccc(C[NH+]2CCCC[C@@H]2C)cc1 ZINC000465556785 502306275 /nfs/dbraw/zinc/30/62/75/502306275.db2.gz BOQCTSIHQCOUQT-GHTZIAJQSA-N 2 0 372.557 3.345 20 0 FGADRP CC(C)[C@@H]1CN(C(=O)NCc2ccccc2C[NH+](C)C(C)C)CC[N@@H+]1C ZINC000487086990 502354355 /nfs/dbraw/zinc/35/43/55/502354355.db2.gz ORMOPSYLGWPUBE-FQEVSTJZSA-N 2 0 360.546 3.008 20 0 FGADRP C[C@@H]1CCC[C@](CNC(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)([NH+](C)C)C1 ZINC000465731959 502363021 /nfs/dbraw/zinc/36/30/21/502363021.db2.gz VTYDUFNLRXFZFQ-LMNJBCLMSA-N 2 0 364.578 3.061 20 0 FGADRP CC[C@H]1CN(C(=O)c2ccccc2C[NH+](C)C)CC[N@@H+]1Cc1ccccc1 ZINC000487158410 502376144 /nfs/dbraw/zinc/37/61/44/502376144.db2.gz VPSDTUGQPRCMCY-NRFANRHFSA-N 2 0 365.521 3.485 20 0 FGADRP CC[N@H+](C)Cc1cccc(CNC(=O)N[C@@H]2CC[NH+](CC3CCCC3)C2)c1 ZINC000465811383 502391725 /nfs/dbraw/zinc/39/17/25/502391725.db2.gz JFLHLDKRTYOMCT-OAQYLSRUSA-N 2 0 372.557 3.202 20 0 FGADRP CCCCCNC(=O)CN1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000483484888 502405946 /nfs/dbraw/zinc/40/59/46/502405946.db2.gz QVJXCCZOWMGQGD-SFTDATJTSA-N 2 0 357.542 3.279 20 0 FGADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CC[C@@H](C)[NH+](Cc2ccccc2)CC1 ZINC000465886188 502415467 /nfs/dbraw/zinc/41/54/67/502415467.db2.gz ITWONGWREMGOBD-TZIWHRDSSA-N 2 0 372.557 3.167 20 0 FGADRP C[C@H]([NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1)c1ccc2c(c1)COC2 ZINC000483530319 502422921 /nfs/dbraw/zinc/42/29/21/502422921.db2.gz IGXWEHNEDNHFQI-SFHVURJKSA-N 2 0 357.542 3.318 20 0 FGADRP CC[C@@H](Cc1ccccc1)NC(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@@H+]1CC ZINC000465944273 502436641 /nfs/dbraw/zinc/43/66/41/502436641.db2.gz XOPWVFLAOWGBNR-SFTDATJTSA-N 2 0 374.573 3.065 20 0 FGADRP CC[NH+](CC)CCSCC(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000469520009 502449270 /nfs/dbraw/zinc/44/92/70/502449270.db2.gz BXRFTKIKCJRHCA-OALUTQOASA-N 2 0 369.619 3.174 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@H](C)c1cccc(C)c1C ZINC000466019035 502456039 /nfs/dbraw/zinc/45/60/39/502456039.db2.gz GONPCYCOVHWVDU-UXHICEINSA-N 2 0 374.573 3.422 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@H](C2CCCCC2)[NH+](C)C)C[C@H]1C ZINC000483712170 502471824 /nfs/dbraw/zinc/47/18/24/502471824.db2.gz MFDRSXJFFRRHHC-NZSAHSFTSA-N 2 0 352.567 3.011 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H]1CC[C@H]2CCC[C@@H]2C1 ZINC000466154552 502490982 /nfs/dbraw/zinc/49/09/82/502490982.db2.gz TUYKJWHISSBZFI-UAFMIMERSA-N 2 0 364.578 3.013 20 0 FGADRP C[C@@H]([NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1)c1ccc(Cl)cn1 ZINC000480181276 502493380 /nfs/dbraw/zinc/49/33/80/502493380.db2.gz NSNQUHAFCBIJFC-MRXNPFEDSA-N 2 0 350.938 3.336 20 0 FGADRP CCCC[NH+]1CCC(NC(=O)NCC[C@H](C)[N@H+](C)Cc2ccccc2)CC1 ZINC000473023012 502501856 /nfs/dbraw/zinc/50/18/56/502501856.db2.gz NAJKSEGXLLDESI-IBGZPJMESA-N 2 0 374.573 3.461 20 0 FGADRP C[C@@H](CCNC(=O)N1CCC[C@H]([NH+]2CCCC2)C1)[N@H+](C)Cc1ccccc1 ZINC000473020076 502502412 /nfs/dbraw/zinc/50/24/12/502502412.db2.gz FDSFRDMRRPGLSM-FPOVZHCZSA-N 2 0 372.557 3.167 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@H](c2ccsc2)N(C)C)[C@@H](C)C1 ZINC000480280329 502523777 /nfs/dbraw/zinc/52/37/77/502523777.db2.gz UBHVIOWLIBQQKB-YTQUADARSA-N 2 0 353.576 3.077 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@H](c2ccsc2)N(C)C)[C@H](C)C1 ZINC000480280326 502524227 /nfs/dbraw/zinc/52/42/27/502524227.db2.gz UBHVIOWLIBQQKB-NZSAHSFTSA-N 2 0 353.576 3.077 20 0 FGADRP CC[NH+](CC)CCN(CC(C)C)C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000466300046 502530801 /nfs/dbraw/zinc/53/08/01/502530801.db2.gz VOJYYKZYQJCUOB-HXUWFJFHSA-N 2 0 366.594 3.260 20 0 FGADRP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)N1CC[NH+](C2CCC2)C[C@@H](C)C1 ZINC000487826039 502540692 /nfs/dbraw/zinc/54/06/92/502540692.db2.gz WVVPHSPBSJQGHN-MOPGFXCFSA-N 2 0 364.578 3.157 20 0 FGADRP C[NH+]1CCC(C[NH2+][C@@H]2CCC[C@H]([C@H]3CCOC3)C2)(N2CCCCC2)CC1 ZINC000466342458 502541689 /nfs/dbraw/zinc/54/16/89/502541689.db2.gz DNPBELQURVFIOX-PCCBWWKXSA-N 2 0 363.590 3.122 20 0 FGADRP C[C@H]1CCC[N@H+](CCCCNC(=O)N2CC[NH+](C3CCC3)C[C@@H](C)C2)C1 ZINC000487850401 502547098 /nfs/dbraw/zinc/54/70/98/502547098.db2.gz KXUMYVRTFWVFMH-RBUKOAKNSA-N 2 0 364.578 3.014 20 0 FGADRP C[NH+](C)CC1(C(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)CCCCC1 ZINC000473309712 502563165 /nfs/dbraw/zinc/56/31/65/502563165.db2.gz VAFCCDIALLFASZ-HXUWFJFHSA-N 2 0 357.542 3.137 20 0 FGADRP Cc1nn(C(C)C)cc1C[NH2+]CCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000462787392 502572781 /nfs/dbraw/zinc/57/27/81/502572781.db2.gz BJJONYUMTJUKHJ-UHFFFAOYSA-N 2 0 369.557 3.070 20 0 FGADRP Cn1c2ccc(C(F)(F)F)cc2nc1CN1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000469888143 502584670 /nfs/dbraw/zinc/58/46/70/502584670.db2.gz MDLMLAKMJIPHGO-FPMFFAJLSA-N 2 0 352.404 3.151 20 0 FGADRP O=C(N[C@H]1CCC[N@H+](Cc2ccccc2)C1)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC000480553630 502600836 /nfs/dbraw/zinc/60/08/36/502600836.db2.gz KXLKSGMJWBUGFK-SFTDATJTSA-N 2 0 369.553 3.422 20 0 FGADRP Cc1nc([C@H](C)[NH2+]CCCN2CC[NH+](Cc3ccccc3)CC2)cs1 ZINC000462884010 502612708 /nfs/dbraw/zinc/61/27/08/502612708.db2.gz NZWATFWEHNLSJG-KRWDZBQOSA-N 2 0 358.555 3.310 20 0 FGADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000473528765 502624662 /nfs/dbraw/zinc/62/46/62/502624662.db2.gz WECGLCKJOBSMJP-GRTSSRMGSA-N 2 0 363.468 3.075 20 0 FGADRP C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)[NH+]1CCc2ccccc2C1 ZINC000480716642 502652207 /nfs/dbraw/zinc/65/22/07/502652207.db2.gz YODRUCXMSFORDZ-GHTZIAJQSA-N 2 0 369.553 3.204 20 0 FGADRP O=C(C[NH2+][C@@H]1CCCC[C@@H]1c1ccccc1)NC1CC[NH+](C2CC2)CC1 ZINC000484609925 502681854 /nfs/dbraw/zinc/68/18/54/502681854.db2.gz BCTWYQJVMSPZGC-NHCUHLMSSA-N 2 0 355.526 3.045 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@H](c2ccc(F)cc2)N(C)C)[C@@H](C)C1 ZINC000480896505 502700380 /nfs/dbraw/zinc/70/03/80/502700380.db2.gz CYUJDSSJLIZFJJ-YYWHXJBOSA-N 2 0 365.537 3.155 20 0 FGADRP CC[NH+](CC)CC1CC[NH+]([C@H](C)C(=O)N[C@@H]2CCOc3ccccc32)CC1 ZINC000488402916 502704616 /nfs/dbraw/zinc/70/46/16/502704616.db2.gz ASXYKUWDQRKKST-YLJYHZDGSA-N 2 0 373.541 3.069 20 0 FGADRP CC[NH+](CC)CC1CC[NH+]([C@H](C)C(=O)N2CCCc3ccccc32)CC1 ZINC000488406167 502705967 /nfs/dbraw/zinc/70/59/67/502705967.db2.gz MXWYLCHJDRAIAW-GOSISDBHSA-N 2 0 357.542 3.408 20 0 FGADRP CC[NH+]1CCN(Cc2ccc(C[NH2+][C@@H]3CS[C@@H](C(C)C)C3)cc2)CC1 ZINC000488418883 502710007 /nfs/dbraw/zinc/71/00/07/502710007.db2.gz TUVJPVPKVPBHRZ-LEWJYISDSA-N 2 0 361.599 3.444 20 0 FGADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](CO)Cc2cccc(OC(F)(F)F)c2)[C@@H](C)C1 ZINC000470249527 502716092 /nfs/dbraw/zinc/71/60/92/502716092.db2.gz XYLDJNLMLXCJOL-LESCRADOSA-N 2 0 374.447 3.056 20 0 FGADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](CO)Cc2ccccc2OC(F)(F)F)[C@H](C)C1 ZINC000470258912 502718715 /nfs/dbraw/zinc/71/87/15/502718715.db2.gz UHHDCDRTKQQGIO-INMHGKMJSA-N 2 0 374.447 3.056 20 0 FGADRP Cc1nc2ccccc2n1CCCCC[N@@H+]1CCO[C@@]2(CCO[C@H]2C)C1 ZINC000463210966 502720051 /nfs/dbraw/zinc/72/00/51/502720051.db2.gz OQMDYGHVFYIERG-UWJYYQICSA-N 2 0 357.498 3.395 20 0 FGADRP C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000481039589 502737796 /nfs/dbraw/zinc/73/77/96/502737796.db2.gz RRWNIUDXHLALSB-OALUTQOASA-N 2 0 358.574 3.392 20 0 FGADRP C[C@@H](CCNC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C)[NH+]1CCCCC1 ZINC000463270108 502742661 /nfs/dbraw/zinc/74/26/61/502742661.db2.gz CANNWFPIQWLHNY-SVFBPWRDSA-N 2 0 372.557 3.071 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)NCc1ccc(CC[NH+](C)C)cc1 ZINC000466974694 502743419 /nfs/dbraw/zinc/74/34/19/502743419.db2.gz AKJQQRCVFVXVTL-LJQANCHMSA-N 2 0 374.573 3.245 20 0 FGADRP C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)c3ccc4c(c3)C[NH2+]C4)cc2)C1 ZINC000470369917 502753018 /nfs/dbraw/zinc/75/30/18/502753018.db2.gz RTRMAGNJPGPUNY-QGZVFWFLSA-N 2 0 363.505 3.452 20 0 FGADRP CC[NH+](CC)[C@@H]1CCN(C(=O)N[C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000488642277 502772203 /nfs/dbraw/zinc/77/22/03/502772203.db2.gz IEAGRMPYQHLWRY-HLAWJBBLSA-N 2 0 372.557 3.023 20 0 FGADRP OC[C@@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+][C@@H]1CCCC[C@@H]1[C@H]1CCOC1 ZINC000474081842 502802151 /nfs/dbraw/zinc/80/21/51/502802151.db2.gz OAOXBFWARLVRMJ-MYDTUXCISA-N 2 0 372.553 3.328 20 0 FGADRP OC[C@@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+][C@@H]1CCCC[C@@H]1[C@@H]1CCOC1 ZINC000474081840 502802604 /nfs/dbraw/zinc/80/26/04/502802604.db2.gz OAOXBFWARLVRMJ-KAOXLYBCSA-N 2 0 372.553 3.328 20 0 FGADRP c1ccc(N2CC[NH+](CCCN3CCC([NH+]4CCCCC4)CC3)CC2)cc1 ZINC000509277020 502865335 /nfs/dbraw/zinc/86/53/35/502865335.db2.gz QINDPYFKOPNURM-UHFFFAOYSA-N 2 0 370.585 3.149 20 0 FGADRP CC(C)(C)CC[NH+]1CCN(CCC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000509309835 502872734 /nfs/dbraw/zinc/87/27/34/502872734.db2.gz IFPXOMNYXDWESQ-UHFFFAOYSA-N 2 0 372.601 3.253 20 0 FGADRP CC[N@@H+]1CCC[C@H](CNC(=O)NC[C@]2(C)CCC[NH+]2Cc2ccccc2)C1 ZINC000489076224 502874662 /nfs/dbraw/zinc/87/46/62/502874662.db2.gz POWOBAKYNYVWPB-IRLDBZIGSA-N 2 0 372.557 3.072 20 0 FGADRP CCc1ccc(NC(=O)C[N@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000501041594 502919760 /nfs/dbraw/zinc/91/97/60/502919760.db2.gz ZBYCJAGCNWVHIC-UHFFFAOYSA-N 2 0 366.509 3.431 20 0 FGADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)NCCCC[NH+]1CCC[C@H](C)C1 ZINC000501049072 502922503 /nfs/dbraw/zinc/92/25/03/502922503.db2.gz SNYHABJVRWEEKG-OALUTQOASA-N 2 0 352.567 3.062 20 0 FGADRP CCc1ccc([C@H]2CCC[N@H+](CC(=O)NC3CC[NH+](C4CC4)CC3)C2)cc1 ZINC000513405789 502928732 /nfs/dbraw/zinc/92/87/32/502928732.db2.gz IVROXMWEXUGXRK-FQEVSTJZSA-N 2 0 369.553 3.171 20 0 FGADRP CC[C@H](C)[NH2+][C@H](CNC(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1)c1ccco1 ZINC000509601133 502945462 /nfs/dbraw/zinc/94/54/62/502945462.db2.gz KFDJTIBMZRWAMK-XYJFISCASA-N 2 0 364.534 3.081 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N[C@@H](C)C[NH+]1CCCCC1)c1ccsc1 ZINC000501165834 502951846 /nfs/dbraw/zinc/95/18/46/502951846.db2.gz WEYHTUURCLHXLW-FUHWJXTLSA-N 2 0 366.575 3.305 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N[C@H](C)C[NH+]1CCCCC1)Cc1ccccc1 ZINC000501195906 502957282 /nfs/dbraw/zinc/95/72/82/502957282.db2.gz DGTIGNFPCJFHKH-CTNGQTDRSA-N 2 0 374.573 3.113 20 0 FGADRP C[C@H]([NH2+]C(C)(C)CNC(=O)N1C[C@H]([NH+]2CCCC2)C[C@H]1C)c1ccccc1 ZINC000497448215 502962604 /nfs/dbraw/zinc/96/26/04/502962604.db2.gz PKOWWQPQCNWWMA-WSTZPKSXSA-N 2 0 372.557 3.384 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cc2cccc(C)c2o1 ZINC000505801582 502988716 /nfs/dbraw/zinc/98/87/16/502988716.db2.gz KMVBTPINRXTQHQ-SFHVURJKSA-N 2 0 357.498 3.229 20 0 FGADRP CCC[NH+]1CCC(NC(=O)N(Cc2ccccc2)C2CC[NH+](C)CC2)CC1 ZINC000489603297 502996141 /nfs/dbraw/zinc/99/61/41/502996141.db2.gz HLNNDCJRJBPYSW-UHFFFAOYSA-N 2 0 372.557 3.167 20 0 FGADRP C[C@H](CN1CCCC1=O)[NH2+][C@@H]1CCCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000513683001 503000025 /nfs/dbraw/zinc/00/00/25/503000025.db2.gz DYLNNOUGCSHLKC-FVTFTPSCSA-N 2 0 369.553 3.278 20 0 FGADRP C[NH+](C)[C@H](CNC(=O)NCCC[NH2+]C1CCCCC1)C1CCCCC1 ZINC000501410238 503004078 /nfs/dbraw/zinc/00/40/78/503004078.db2.gz YMVKZLQPMMITCB-LJQANCHMSA-N 2 0 352.567 3.109 20 0 FGADRP Cn1cc(C(F)(F)F)nc1[C@H]1CCC[N@H+](CC[C@H]2CCCC[NH+]2C)C1 ZINC000489684244 503010640 /nfs/dbraw/zinc/01/06/40/503010640.db2.gz MCWGESPGGYWMOG-LSDHHAIUSA-N 2 0 358.452 3.493 20 0 FGADRP C[NH+](Cc1cccc(C[N@@H+](C)[C@H](CO)C(C)(C)C)c1)[C@H](CO)C(C)(C)C ZINC000489686828 503011288 /nfs/dbraw/zinc/01/12/88/503011288.db2.gz RPCLDNABRSOZRC-WOJBJXKFSA-N 2 0 364.574 3.364 20 0 FGADRP C[C@H](CNC(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1)[NH+]1CCCC[C@H]1C ZINC000501489626 503019261 /nfs/dbraw/zinc/01/92/61/503019261.db2.gz GLSFPLARSOJEJD-GUDVDZBRSA-N 2 0 352.567 3.061 20 0 FGADRP C[C@H](CNC(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)[NH+]1CCC[C@@H](C)C1 ZINC000501515807 503026411 /nfs/dbraw/zinc/02/64/11/503026411.db2.gz CUEOOZWPQBYORS-SFHLNBCPSA-N 2 0 372.557 3.071 20 0 FGADRP C[C@H](CNC(=O)NCCC[N@H+](C)Cc1ccccc1)[NH+]1CCCC[C@H]1C ZINC000501531025 503030406 /nfs/dbraw/zinc/03/04/06/503030406.db2.gz KAXDTIQUQHITQY-RTBURBONSA-N 2 0 360.546 3.071 20 0 FGADRP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000489786369 503035071 /nfs/dbraw/zinc/03/50/71/503035071.db2.gz BGOFNMQLZNANLK-PWRODBHTSA-N 2 0 372.557 3.023 20 0 FGADRP C[NH+](C)[C@H]1CCC[C@H](NC(=O)NCc2ccccc2C[NH+]2CCCCC2)C1 ZINC000489793883 503036271 /nfs/dbraw/zinc/03/62/71/503036271.db2.gz CZEUWPPADNZYOU-SFTDATJTSA-N 2 0 372.557 3.345 20 0 FGADRP CC[C@H](C)[NH2+][C@H](CNC(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1)c1ccco1 ZINC000497835318 503050403 /nfs/dbraw/zinc/05/04/03/503050403.db2.gz GCJHNIWJWBSBBE-XYJFISCASA-N 2 0 362.518 3.025 20 0 FGADRP CC[C@H](C)[NH2+][C@@H](CNC(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1)c1ccco1 ZINC000497835316 503050503 /nfs/dbraw/zinc/05/05/03/503050503.db2.gz GCJHNIWJWBSBBE-JZXOWHBKSA-N 2 0 362.518 3.025 20 0 FGADRP C[C@@H](NC(=O)CN1CCCC[C@@H]1CC[NH3+])c1ccc(Cl)cc1Cl ZINC000489904827 503060827 /nfs/dbraw/zinc/06/08/27/503060827.db2.gz CTVMWKZLMYCYOB-TZMCWYRMSA-N 2 0 358.313 3.374 20 0 FGADRP CC[NH+](CC)Cc1ccc(CNC(=O)N[C@H](C)C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000514027654 503071755 /nfs/dbraw/zinc/07/17/55/503071755.db2.gz UZFXNWKOISMTMA-RTBURBONSA-N 2 0 374.573 3.448 20 0 FGADRP Cc1ccc([C@@H](CNC(=O)NCCC[NH+]2CCC(C)CC2)[NH+](C)C)cc1 ZINC000514032936 503073146 /nfs/dbraw/zinc/07/31/46/503073146.db2.gz NUKZPZXJMLLCGB-HXUWFJFHSA-N 2 0 360.546 3.019 20 0 FGADRP CC(C)[C@H](CNC(=O)N[C@H](C)C[NH+]1CCCCC1)[NH+]1CCCCCC1 ZINC000501783565 503079347 /nfs/dbraw/zinc/07/93/47/503079347.db2.gz DJLGTSSALAHJIM-MOPGFXCFSA-N 2 0 352.567 3.061 20 0 FGADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000501848571 503094206 /nfs/dbraw/zinc/09/42/06/503094206.db2.gz IUVYBGJKUSLSEE-IBGZPJMESA-N 2 0 372.557 3.346 20 0 FGADRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCC(C)(C)[NH+]2CCCCC2)C1 ZINC000514196679 503109638 /nfs/dbraw/zinc/10/96/38/503109638.db2.gz AHVPPERNFAOIMN-QGZVFWFLSA-N 2 0 352.567 3.061 20 0 FGADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)NCC(C)(C)[NH+]2CCCCC2)C1 ZINC000514197521 503110269 /nfs/dbraw/zinc/11/02/69/503110269.db2.gz ORFSNDJFSIKGQF-ICSRJNTNSA-N 2 0 372.557 3.386 20 0 FGADRP C[C@@H]1CCC[N@H+](CCNC(=O)NC[C@@H]2CCCC[NH+]2Cc2ccccc2)C1 ZINC000514245433 503124365 /nfs/dbraw/zinc/12/43/65/503124365.db2.gz XRCVGHZESMSSGR-CTNGQTDRSA-N 2 0 372.557 3.072 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)N[C@H](C)C1=CC[N@H+](C)CC1)c1ccccc1 ZINC000510542727 503139167 /nfs/dbraw/zinc/13/91/67/503139167.db2.gz BOQJHFOLICKPHS-XLIONFOSSA-N 2 0 358.530 3.019 20 0 FGADRP Cc1nc2cc(F)ccc2cc1C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000498328691 503158776 /nfs/dbraw/zinc/15/87/76/503158776.db2.gz DPBFAFZCVKLZEA-UHFFFAOYSA-N 2 0 374.504 3.028 20 0 FGADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@@H](c1ccccc1)C(C)(C)CO ZINC000514690960 503169217 /nfs/dbraw/zinc/16/92/17/503169217.db2.gz DMBCIIGDPFHQOX-FQEVSTJZSA-N 2 0 350.466 3.425 20 0 FGADRP CCN1CC[NH+](CCCC[NH2+][C@@H](C)CCc2c(F)cccc2F)CC1 ZINC000510736176 503181846 /nfs/dbraw/zinc/18/18/46/503181846.db2.gz QGLCVVLUAQXJEQ-KRWDZBQOSA-N 2 0 353.501 3.293 20 0 FGADRP CCCNC(=O)CCC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000514792108 503194954 /nfs/dbraw/zinc/19/49/54/503194954.db2.gz HGQSWSREVOBXGH-QGZVFWFLSA-N 2 0 351.560 3.117 20 0 FGADRP CC[NH+](CC)CC1CC[NH+](Cc2c[nH]nc2-c2ccc3c(c2)OCO3)CC1 ZINC000506924961 503195274 /nfs/dbraw/zinc/19/52/74/503195274.db2.gz BOGBOAHISDJHKI-UHFFFAOYSA-N 2 0 370.497 3.359 20 0 FGADRP CSc1ccc(C)c(C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)c1 ZINC000502572233 503228808 /nfs/dbraw/zinc/22/88/08/503228808.db2.gz OUOIZNIQNAVNFJ-UHFFFAOYSA-N 2 0 351.560 3.063 20 0 FGADRP CC[NH+]1CCN(Cc2ccc(C[NH2+][C@@H]3CCC[C@@H]3CCOC)cc2)CC1 ZINC000502706367 503254888 /nfs/dbraw/zinc/25/48/88/503254888.db2.gz FTWNWCPKWRHKHX-FGZHOGPDSA-N 2 0 359.558 3.119 20 0 FGADRP Cc1oc(-c2ccsc2)nc1CN1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000490998827 503258341 /nfs/dbraw/zinc/25/83/41/503258341.db2.gz QWQLGKVISPTJTB-DNVCBOLYSA-N 2 0 374.554 3.169 20 0 FGADRP C[C@H]1C[C@H](NC(=O)Nc2ccc3c(c2)C[NH2+]CC3)C[N@@H+]1Cc1ccccc1 ZINC000515046398 503258859 /nfs/dbraw/zinc/25/88/59/503258859.db2.gz PRYLMXQSJXWULP-KKSFZXQISA-N 2 0 364.493 3.117 20 0 FGADRP C[NH+](C)CCOc1cnccc1C[NH2+][C@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000515088913 503268917 /nfs/dbraw/zinc/26/89/17/503268917.db2.gz CSWYZCGASXOITN-LEWJYISDSA-N 2 0 369.509 3.358 20 0 FGADRP Cn1c(=O)oc2cc(C[NH2+]C[C@H]3CCCN(C)[C@H]3c3cccs3)ccc21 ZINC000511242055 503285515 /nfs/dbraw/zinc/28/55/15/503285515.db2.gz LSYWVJIGNJCCSZ-DNVCBOLYSA-N 2 0 371.506 3.366 20 0 FGADRP Cc1cc(C(C)(C)C)cc(C)c1C[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000507401008 503293442 /nfs/dbraw/zinc/29/34/42/503293442.db2.gz ICABTZLQQQFVLK-UHFFFAOYSA-N 2 0 373.585 3.491 20 0 FGADRP Cc1ccc(C[NH2+]CC2(O)CC[NH+](C(C)C)CC2)cc1Br ZINC000503020914 503327965 /nfs/dbraw/zinc/32/79/65/503327965.db2.gz UWIMQYOPBDPLEB-UHFFFAOYSA-N 2 0 355.320 3.082 20 0 FGADRP C[C@@H]1C[C@H](NC(=O)N[C@H]2CC[NH+](Cc3ccccc3)CC2(C)C)CC[N@@H+]1C ZINC000511502781 503333813 /nfs/dbraw/zinc/33/38/13/503333813.db2.gz FOURYZXGBMBPCY-RLLQIKCJSA-N 2 0 372.557 3.069 20 0 FGADRP C[NH+](C)CC1CCC([NH2+]C[C@H](O)Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000515637723 503377756 /nfs/dbraw/zinc/37/77/56/503377756.db2.gz CYDWWVYKVYGDLA-VMWRSERWSA-N 2 0 358.448 3.319 20 0 FGADRP C[NH+]1CCC(CCNC(=O)NC[C@@H]2CCCC[N@@H+]2Cc2ccccc2)CC1 ZINC000503303692 503386342 /nfs/dbraw/zinc/38/63/42/503386342.db2.gz FWGOQSYNGJAAOW-NRFANRHFSA-N 2 0 372.557 3.072 20 0 FGADRP C[C@H](NC(=O)NC[C@H]1[N@H+](C)CCCC1(C)C)[C@@H](c1ccccc1)[NH+](C)C ZINC000503385941 503398596 /nfs/dbraw/zinc/39/85/96/503398596.db2.gz KNMUSOPOFMRHSK-UHOSZYNNSA-N 2 0 360.546 3.097 20 0 FGADRP COCc1cccc(C[N@H+](C)CCN2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000511844437 503398905 /nfs/dbraw/zinc/39/89/05/503398905.db2.gz QLPMKOXOLMJPQV-UHFFFAOYSA-N 2 0 367.537 3.083 20 0 FGADRP C[C@H](OC[C@@H](O)C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1ccc(Cl)cc1 ZINC000515832088 503408900 /nfs/dbraw/zinc/40/89/00/503408900.db2.gz JCBUVNSPDMKEIH-GPLKVYFTSA-N 2 0 366.933 3.383 20 0 FGADRP Cc1cc([C@H](C)[NH2+]CCCN2CCC[N@H+](C)CC2)sc1Br ZINC000512054578 503445165 /nfs/dbraw/zinc/44/51/65/503445165.db2.gz WMHSMFRNMCKFDL-AWEZNQCLSA-N 2 0 374.392 3.497 20 0 FGADRP CCC[C@H]([NH2+]C(C)C)C(=O)Nc1cccc(N2CC[NH+](C(C)C)CC2)c1 ZINC000503630451 503449056 /nfs/dbraw/zinc/44/90/56/503449056.db2.gz DYGMRYVLMUFHHL-FQEVSTJZSA-N 2 0 360.546 3.322 20 0 FGADRP Cc1ccccc1[C@@H]([C@@H](C)NC(=O)NCC[N@H+](C)C1CCCC1)[NH+](C)C ZINC000493866082 503450825 /nfs/dbraw/zinc/45/08/25/503450825.db2.gz ZOUJZWQVJNJMEG-YLJYHZDGSA-N 2 0 360.546 3.160 20 0 FGADRP C[C@H]([NH2+]C1(CNC(=O)N2CC[N@H+](C)CC[C@@H]2C)CCCC1)c1ccccc1 ZINC000503741728 503468064 /nfs/dbraw/zinc/46/80/64/503468064.db2.gz XURVCIDJSWBMDK-OALUTQOASA-N 2 0 372.557 3.386 20 0 FGADRP C[C@@H](NC(=O)CN(C)CCC[NH+]1CCCC1)c1cccc2ccccc21 ZINC000499910965 503509406 /nfs/dbraw/zinc/50/94/06/503509406.db2.gz DIMXWUYOOHKXIC-GOSISDBHSA-N 2 0 353.510 3.435 20 0 FGADRP O=C(CCC1CCCCC1)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000500015092 503533046 /nfs/dbraw/zinc/53/30/46/503533046.db2.gz KBMOORYQUYGLRS-UHFFFAOYSA-N 2 0 358.530 3.070 20 0 FGADRP CC1CC[NH+](CCCCNC(=O)NC[C@]2([NH+](C)C)CCC[C@H](C)C2)CC1 ZINC000516559181 503536712 /nfs/dbraw/zinc/53/67/12/503536712.db2.gz ZQIOZQKCUHGPDB-FPOVZHCZSA-N 2 0 366.594 3.308 20 0 FGADRP Cc1ccccc1CCC[N@@H+](Cc1nccn1C)[C@@H]1CC12CC[NH2+]CC2 ZINC000504207912 503538456 /nfs/dbraw/zinc/53/84/56/503538456.db2.gz OIYWINXXIXGMFX-HXUWFJFHSA-N 2 0 352.526 3.305 20 0 FGADRP CCOc1ccc(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)cc1OC ZINC000512422382 503546247 /nfs/dbraw/zinc/54/62/47/503546247.db2.gz ZMGVAEONYRTYAE-UHFFFAOYSA-N 2 0 362.514 3.028 20 0 FGADRP C[C@@H](Nc1ccc(N2CCOCC2)cn1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508719129 503550263 /nfs/dbraw/zinc/55/02/63/503550263.db2.gz PAEJUFSTZPIPND-QUCCMNQESA-N 2 0 366.509 3.241 20 0 FGADRP Cc1c2cc(F)ccc2oc1C(=O)Nc1c[nH+]ccc1N1CCN(C)CC1 ZINC000516623987 503553951 /nfs/dbraw/zinc/55/39/51/503553951.db2.gz AGBXXJYNSRAOGD-UHFFFAOYSA-N 2 0 368.412 3.279 20 0 FGADRP CCC[C@H]1CN(C(=O)[C@@H](C)Cc2c[nH]cn2)CC[N@@H+]1Cc1ccccc1 ZINC000516660811 503563203 /nfs/dbraw/zinc/56/32/03/503563203.db2.gz CLCALZWKSGZJJY-PXNSSMCTSA-N 2 0 354.498 3.101 20 0 FGADRP Cc1ccccc1[C@H]([C@@H](C)NC(=O)N(C)CCC[NH+]1CCCC1)[NH+](C)C ZINC000508894000 503592149 /nfs/dbraw/zinc/59/21/49/503592149.db2.gz JWKSCJPYMGOZEB-QUCCMNQESA-N 2 0 360.546 3.114 20 0 FGADRP C[C@H](NC(=O)N1CC[NH+](C2CCCCC2)CC1)[C@H](c1ccccc1)[NH+](C)C ZINC000508904089 503596216 /nfs/dbraw/zinc/59/62/16/503596216.db2.gz HFBXXTPQJKFIBJ-GHTZIAJQSA-N 2 0 372.557 3.338 20 0 FGADRP Cc1cnc(CC[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)nc1 ZINC000512620647 503597284 /nfs/dbraw/zinc/59/72/84/503597284.db2.gz RVCZVTSOKRIVNK-PWRODBHTSA-N 2 0 350.510 3.218 20 0 FGADRP c1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH2+]CCNc4ccccn4)[C@H]3C2)cc1 ZINC000512627102 503598143 /nfs/dbraw/zinc/59/81/43/503598143.db2.gz ZYZGYGBMCSTVBA-ACRUOGEOSA-N 2 0 350.510 3.384 20 0 FGADRP C[C@@H]1CCC[C@H]([NH2+]Cc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)[C@H]1C ZINC000512673587 503609405 /nfs/dbraw/zinc/60/94/05/503609405.db2.gz RHLUEXBYSPLZFO-OVQGTLEDSA-N 2 0 357.542 3.298 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@H](C)[C@@H]2CCC[NH+](C3CCC3)C2)C[C@@H]1C ZINC000512713182 503619253 /nfs/dbraw/zinc/61/92/53/503619253.db2.gz XOWBBCMTOVVZNU-XFKSJGNHSA-N 2 0 364.578 3.154 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2C[NH2+][C@H]2CCC(=O)NC2(C)C)C1 ZINC000494891645 503631604 /nfs/dbraw/zinc/63/16/04/503631604.db2.gz IMZSVMGGROOMTI-QKLQHJQFSA-N 2 0 357.542 3.311 20 0 FGADRP C[NH+](C)CC1(C[NH2+]C[C@H](O)CO[C@H]2CCCc3ccccc32)CCCC1 ZINC000517130093 503651690 /nfs/dbraw/zinc/65/16/90/503651690.db2.gz NCTSECKYFAWFLS-FPOVZHCZSA-N 2 0 360.542 3.153 20 0 FGADRP CCCOc1cc(C[NH+]2CCC(OCC[NH+](C)C)CC2)ccc1OC ZINC000536675561 503674203 /nfs/dbraw/zinc/67/42/03/503674203.db2.gz WXPJZAAQQGWOGT-UHFFFAOYSA-N 2 0 350.503 3.027 20 0 FGADRP CC(C)[C@H]1CCCC[N@@H+]1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000532975831 503682682 /nfs/dbraw/zinc/68/26/82/503682682.db2.gz XMRHCONQBXSCBS-OAQYLSRUSA-N 2 0 357.542 3.409 20 0 FGADRP CC[N@H+](CC(=O)NC[C@H](c1ccc(OC)cc1)[NH+]1CCCCC1)C1CCC1 ZINC000532977474 503682764 /nfs/dbraw/zinc/68/27/64/503682764.db2.gz IIECLFYDKRKWMF-OAQYLSRUSA-N 2 0 373.541 3.213 20 0 FGADRP C[C@@H]1[C@H](C)[N@H+](C)CCN1C(=O)c1cccc(C[NH+](C)Cc2ccccc2)c1 ZINC000543294156 503713558 /nfs/dbraw/zinc/71/35/58/503713558.db2.gz JZPKMNJZESFQAW-RBUKOAKNSA-N 2 0 365.521 3.483 20 0 FGADRP C[C@@H]([NH2+]CC(=O)N(C)C1CCCCC1)c1cccc(OCC[NH+](C)C)c1 ZINC000540223647 503717822 /nfs/dbraw/zinc/71/78/22/503717822.db2.gz OWNWKLCAQVPXEC-QGZVFWFLSA-N 2 0 361.530 3.069 20 0 FGADRP CC[NH+](CC)CCC[NH2+][C@H]1CCCC[C@@H](N2C(=O)c3ccccc3C2=O)C1 ZINC000533090562 503728306 /nfs/dbraw/zinc/72/83/06/503728306.db2.gz HOTFEUHVHHOGRF-ZWKOTPCHSA-N 2 0 371.525 3.305 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N1CC[C@H]([NH+]2CCCCC2)C1)CC(C)C ZINC000517419802 503740700 /nfs/dbraw/zinc/74/07/00/503740700.db2.gz DOJBMESYEPZTQO-OALUTQOASA-N 2 0 352.567 3.013 20 0 FGADRP CC[NH+]1CCC(C[NH2+][C@@H](C)CC(=O)N(C)Cc2cccc(Cl)c2)CC1 ZINC000517425923 503742718 /nfs/dbraw/zinc/74/27/18/503742718.db2.gz XVJABMLLJLJIJN-INIZCTEOSA-N 2 0 365.949 3.399 20 0 FGADRP C[C@H]1C[NH+](CC2CC[NH+](Cc3cc(-n4ccnc4)cs3)CC2)C[C@H](C)O1 ZINC000543394341 503751896 /nfs/dbraw/zinc/75/18/96/503751896.db2.gz IRXQUERYJMJXMB-IRXDYDNUSA-N 2 0 374.554 3.255 20 0 FGADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)NC2CC[NH+](C(C)(C)C)CC2)C1 ZINC000517543703 503766678 /nfs/dbraw/zinc/76/66/78/503766678.db2.gz ZLBUZDUJYAIFEF-FXAWDEMLSA-N 2 0 372.557 3.384 20 0 FGADRP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)NCc2ccc(C[NH+](C)C)cc2)C1 ZINC000517541679 503767307 /nfs/dbraw/zinc/76/73/07/503767307.db2.gz PKFMINWXBOPYHE-QZTJIDSGSA-N 2 0 374.573 3.304 20 0 FGADRP C[C@H]1C[NH+](CCOc2ccc(CC[NH2+]Cc3cscn3)cc2)C[C@@H]1C ZINC000537022714 503780121 /nfs/dbraw/zinc/78/01/21/503780121.db2.gz VYZDZEFHEHSLRP-IRXDYDNUSA-N 2 0 359.539 3.442 20 0 FGADRP C[C@H]1CCCC[N@@H+]1CCN[C@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21 ZINC000537173997 503826800 /nfs/dbraw/zinc/82/68/00/503826800.db2.gz SGRTZWWXKDMPRG-ICSRJNTNSA-N 2 0 357.542 3.439 20 0 FGADRP CC(C)[N@H+](C)CC1CC[NH+](CC(=O)N[C@H]2CCCc3ccccc32)CC1 ZINC000533408102 503834949 /nfs/dbraw/zinc/83/49/49/503834949.db2.gz MDGXRCCXWKUBSE-NRFANRHFSA-N 2 0 357.542 3.232 20 0 FGADRP CC(C)[C@@H](C(=O)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1)[NH+]1CCCCC1 ZINC000517812461 503843049 /nfs/dbraw/zinc/84/30/49/503843049.db2.gz XRWRZCVCVDELNE-RTWAWAEBSA-N 2 0 363.590 3.467 20 0 FGADRP CC(C)[C@@H](CNC(=O)N1CCC[C@@H]1C[NH+]1CCCC1)[NH+]1CCC(C)CC1 ZINC000517917095 503866587 /nfs/dbraw/zinc/86/65/87/503866587.db2.gz RZJRLUUMWPFMOP-WOJBJXKFSA-N 2 0 364.578 3.013 20 0 FGADRP CC(C)[N@H+](C)Cc1ccccc1C[NH2+]C[C@@H](O)COc1ccc(F)cc1 ZINC000517922578 503868559 /nfs/dbraw/zinc/86/85/59/503868559.db2.gz KIMKLZICLMDXGY-HXUWFJFHSA-N 2 0 360.473 3.195 20 0 FGADRP CC[NH+](CC)Cc1cccc(CNC(=O)NCC2(C[NH+](C)C)CCCC2)c1 ZINC000546761603 503869360 /nfs/dbraw/zinc/86/93/60/503869360.db2.gz QPXDTGZQINRIMI-UHFFFAOYSA-N 2 0 374.573 3.450 20 0 FGADRP COc1cc(OC)c(C2CC[NH+]([C@H](C)[C@@H]3CCC[NH2+]C3)CC2)c(OC)c1 ZINC000530207853 503876674 /nfs/dbraw/zinc/87/66/74/503876674.db2.gz DTRHPNWMOFLJBH-NVXWUHKLSA-N 2 0 362.514 3.280 20 0 FGADRP CC[C@@H]([NH2+][C@@H](CC(C)C)C(=O)NCC[NH+](C)C)c1ccc(F)cc1F ZINC000540744213 503877739 /nfs/dbraw/zinc/87/77/39/503877739.db2.gz CKVJIQRNSSFTKY-MSOLQXFVSA-N 2 0 355.473 3.098 20 0 FGADRP COc1ccc([C@@H](C[NH3+])C[NH+]2CCC(Oc3cccc(F)c3)CC2)cc1 ZINC000530221559 503882644 /nfs/dbraw/zinc/88/26/44/503882644.db2.gz GJCKTTANQXRRJR-KRWDZBQOSA-N 2 0 358.457 3.420 20 0 FGADRP C[C@H]1C[C@@H]([NH2+]Cc2c[nH]nc2-c2ccc(Br)s2)CC[N@@H+]1C ZINC000527669868 503886542 /nfs/dbraw/zinc/88/65/42/503886542.db2.gz ZRLIEYBRHCYYDT-JQWIXIFHSA-N 2 0 369.332 3.473 20 0 FGADRP C[C@@H]1C[C@H]([NH2+]Cc2c[nH]nc2-c2ccc(Br)s2)CC[N@@H+]1C ZINC000527669873 503887011 /nfs/dbraw/zinc/88/70/11/503887011.db2.gz ZRLIEYBRHCYYDT-ZYHUDNBSSA-N 2 0 369.332 3.473 20 0 FGADRP CCO[C@@H]1C[C@@H]([NH2+]Cc2ccccc2C[N@@H+]2CC[C@@H](O)C2)C1(CC)CC ZINC000543777245 503887967 /nfs/dbraw/zinc/88/79/67/503887967.db2.gz RMXQGTZDVVLEDS-NJDAHSKKSA-N 2 0 360.542 3.327 20 0 FGADRP FC(F)(F)Oc1cccc(C[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)c1 ZINC000530240451 503889694 /nfs/dbraw/zinc/88/96/94/503889694.db2.gz LDPOXCAMHKQULA-KRWDZBQOSA-N 2 0 358.404 3.176 20 0 FGADRP Clc1ccc2cccnc2c1C[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530242903 503891227 /nfs/dbraw/zinc/89/12/27/503891227.db2.gz VSCNAXNLPCSCMK-QGZVFWFLSA-N 2 0 359.901 3.479 20 0 FGADRP Clc1cccc(-c2n[nH]cc2C[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)c1 ZINC000530249089 503894100 /nfs/dbraw/zinc/89/41/00/503894100.db2.gz UDYDOYCGVQMDLU-IBGZPJMESA-N 2 0 374.916 3.321 20 0 FGADRP Cc1ccc(C[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)cc1Br ZINC000530248649 503894306 /nfs/dbraw/zinc/89/43/06/503894306.db2.gz NTCMGGBBNDYONB-QGZVFWFLSA-N 2 0 367.331 3.348 20 0 FGADRP CCC1(C[NH2+]Cc2cnc(N(C)C)nc2)CC[NH+](Cc2ccccc2)CC1 ZINC000533584568 503897609 /nfs/dbraw/zinc/89/76/09/503897609.db2.gz YYCIGHSHRHHLMN-UHFFFAOYSA-N 2 0 367.541 3.325 20 0 FGADRP Cc1ccc([C@@H](C)[NH2+][C@@H](Cc2ccccc2)C(=O)NCC[NH+](C)C)c(C)c1 ZINC000537487159 503931072 /nfs/dbraw/zinc/93/10/72/503931072.db2.gz OAAPTEKJSBPKEC-KNQAVFIVSA-N 2 0 367.537 3.243 20 0 FGADRP CN1C(=O)c2ccccc2[C@@H]1CNC1CC[NH+](CCc2ccccc2)CC1 ZINC000527811854 503955941 /nfs/dbraw/zinc/95/59/41/503955941.db2.gz UCLXSTMCYNXTND-QFIPXVFZSA-N 2 0 363.505 3.110 20 0 FGADRP COCC[C@H](c1ccccc1)[NH+]1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000533832054 503964423 /nfs/dbraw/zinc/96/44/23/503964423.db2.gz QJWZJXLCYBIINX-RZUBCFFCSA-N 2 0 359.558 3.255 20 0 FGADRP CCCCO[C@@H]1C[C@H]([NH2+]Cc2ccccc2C[N@@H+]2CC[C@@H](O)C2)C1(C)C ZINC000540988598 503966308 /nfs/dbraw/zinc/96/63/08/503966308.db2.gz NVVPSNVJZIYBGS-QHAWAJNXSA-N 2 0 360.542 3.327 20 0 FGADRP CCCCOc1ccc(CN2CC[C@@H]([NH+]3CCN(C)CC3)[C@H](C)C2)cc1 ZINC000537620231 503978910 /nfs/dbraw/zinc/97/89/10/503978910.db2.gz SNQDTLVGQVMWCX-DENIHFKCSA-N 2 0 359.558 3.323 20 0 FGADRP c1ccc(C[NH+]2CCC3(CC[N@@H+](CCOC[C@H]4CCCO4)C3)CC2)cc1 ZINC000518469749 503994385 /nfs/dbraw/zinc/99/43/85/503994385.db2.gz CEOBPQPQGHUGCA-OAQYLSRUSA-N 2 0 358.526 3.170 20 0 FGADRP C[C@H]([NH2+]C[C@@H](n1cccn1)C(F)(F)F)c1cccc(OCC[NH+](C)C)c1 ZINC000527929668 504003245 /nfs/dbraw/zinc/00/32/45/504003245.db2.gz DYULVEZUGBYCLQ-WMLDXEAASA-N 2 0 370.419 3.278 20 0 FGADRP CC(C)[NH+]1CCC(NC(=O)NC[C@@H](c2ccc(Cl)cc2)[NH+](C)C)CC1 ZINC000530599810 504022803 /nfs/dbraw/zinc/02/28/03/504022803.db2.gz GTENEJMJGLOOTI-SFHVURJKSA-N 2 0 366.937 3.115 20 0 FGADRP O=C(c1ccc(Nc2cc[nH+]cc2)cc1)N1CCC([NH+]2CCCCC2)CC1 ZINC000530637597 504035155 /nfs/dbraw/zinc/03/51/55/504035155.db2.gz DCBSSYCDGGODNC-UHFFFAOYSA-N 2 0 364.493 3.338 20 0 FGADRP CC1=CC[N@H+](CCNC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000547273029 504044470 /nfs/dbraw/zinc/04/44/70/504044470.db2.gz VJKMZLSYQHFXAY-UHFFFAOYSA-N 2 0 370.541 3.124 20 0 FGADRP Cc1ccccc1[C@@H](NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)C(C)(C)C ZINC000530713473 504061017 /nfs/dbraw/zinc/06/10/17/504061017.db2.gz BAKQOZLXXLDWAN-LJQANCHMSA-N 2 0 362.562 3.217 20 0 FGADRP C[C@H](CCNC(=O)N[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)[NH+]1CCCCC1 ZINC000544286224 504073000 /nfs/dbraw/zinc/07/30/00/504073000.db2.gz IPJIXKLKHJSABN-SBHAEUEKSA-N 2 0 372.557 3.213 20 0 FGADRP C[C@@H]([NH2+]CCc1cnc(C2CC2)nc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000537938962 504090248 /nfs/dbraw/zinc/09/02/48/504090248.db2.gz YJLDVIVOWRFCAO-MRXNPFEDSA-N 2 0 354.498 3.188 20 0 FGADRP O=C(NCC[NH+]1CCCCCC1)[C@H]1CCn2c(cnc2C2CCCCC2)C1 ZINC000544333552 504091766 /nfs/dbraw/zinc/09/17/66/504091766.db2.gz IYHZQQDTWHTWPC-IBGZPJMESA-N 2 0 372.557 3.485 20 0 FGADRP CCCCCNC(=O)C1CC[NH+](Cc2cn(-c3cc[nH+]cc3)nc2C)CC1 ZINC000544351086 504098400 /nfs/dbraw/zinc/09/84/00/504098400.db2.gz KBPIYASAKUDZCV-UHFFFAOYSA-N 2 0 369.513 3.094 20 0 FGADRP Cc1cc([C@H]([NH2+]CCCN2CCC[N@@H+](C)CC2)c2cccnc2)ccc1F ZINC000544358148 504102457 /nfs/dbraw/zinc/10/24/57/504102457.db2.gz LTDKWFJRRALDSU-QFIPXVFZSA-N 2 0 370.516 3.236 20 0 FGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCc2ccc(F)c(F)c2F)[C@H](C)C1 ZINC000544385298 504113206 /nfs/dbraw/zinc/11/32/06/504113206.db2.gz KCFDFVYZUBDXFB-RHSMWYFYSA-N 2 0 358.448 3.373 20 0 FGADRP C[C@@H](C[NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1)Cc1ccccc1 ZINC000544406746 504122358 /nfs/dbraw/zinc/12/23/58/504122358.db2.gz ZUDAKJUMWWHTTH-HXUWFJFHSA-N 2 0 352.526 3.062 20 0 FGADRP C[C@H](CCNC(=O)NCC(C)(C)[N@@H+]1CCC[C@H](C)C1)[NH+]1CCCCC1 ZINC000541441518 504130997 /nfs/dbraw/zinc/13/09/97/504130997.db2.gz FYXJNEWPLGXJJF-ZWKOTPCHSA-N 2 0 352.567 3.061 20 0 FGADRP CC[C@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)[NH+](CC)CC ZINC000531056835 504173520 /nfs/dbraw/zinc/17/35/20/504173520.db2.gz BLGDXZZZDDGXJH-OTYNDTSQSA-N 2 0 357.542 3.419 20 0 FGADRP CO[C@@H]1CC[N@H+](Cc2cncc(C[NH+]3CC[C@H](OC)C[C@H]3C)c2)[C@@H](C)C1 ZINC000519311728 504189546 /nfs/dbraw/zinc/18/95/46/504189546.db2.gz NQNJYZFSBGGCQI-BTYSMDAFSA-N 2 0 361.530 3.080 20 0 FGADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H](O)COCc2ccccc2Cl)C[C@@H]1C ZINC000531139523 504201943 /nfs/dbraw/zinc/20/19/43/504201943.db2.gz CBLKDEFQCJWYFC-RYQLBKOJSA-N 2 0 354.922 3.022 20 0 FGADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000519489336 504231570 /nfs/dbraw/zinc/23/15/70/504231570.db2.gz LQXPNMSNLUMUND-HXUWFJFHSA-N 2 0 360.546 3.202 20 0 FGADRP CCC[NH+]1CCN(c2ccccc2C[NH2+]CCc2ccc(O)cc2)CC1 ZINC000538402883 504236677 /nfs/dbraw/zinc/23/66/77/504236677.db2.gz WPJMJIMCJXTWKE-UHFFFAOYSA-N 2 0 353.510 3.257 20 0 FGADRP Cc1ccc([C@@H](CNC(=O)NCC2(C[NH+](C)C)CCCC2)[NH+](C)C)cc1 ZINC000541836991 504268931 /nfs/dbraw/zinc/26/89/31/504268931.db2.gz CLILCMNFHBHUCB-LJQANCHMSA-N 2 0 360.546 3.019 20 0 FGADRP CCC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N(C)C[C@H]1CCC[NH+](C)C1 ZINC000528577858 504279778 /nfs/dbraw/zinc/27/97/78/504279778.db2.gz BSESLJNHBQHGRZ-BHDDXSALSA-N 2 0 371.569 3.335 20 0 FGADRP Cc1cc(NC(=O)NC[C@H]2CCC[N@H+](C)C2)cnc1N1CCCC[C@H]1C ZINC000541878195 504286544 /nfs/dbraw/zinc/28/65/44/504286544.db2.gz ZYGZONUPIKSRBR-IAGOWNOFSA-N 2 0 359.518 3.232 20 0 FGADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H](O)CO[C@@H]2CCCc3ccccc32)C[C@H]1C ZINC000531381923 504286942 /nfs/dbraw/zinc/28/69/42/504286942.db2.gz FPNFHVJDHDKZKQ-IWLVTHKOSA-N 2 0 360.542 3.246 20 0 FGADRP c1ccc(C[N@H+]2CCC3(C2)CC[NH+](CCOC[C@H]2CCCO2)CC3)cc1 ZINC000534964767 504296793 /nfs/dbraw/zinc/29/67/93/504296793.db2.gz AHZUDVOWLYDNER-OAQYLSRUSA-N 2 0 358.526 3.170 20 0 FGADRP CCC[NH+]1CCN(c2ccccc2C[NH+]2CCC(c3c[nH]cn3)CC2)CC1 ZINC000538728512 504345810 /nfs/dbraw/zinc/34/58/10/504345810.db2.gz BYGNLKCVNDYKMX-UHFFFAOYSA-N 2 0 367.541 3.321 20 0 FGADRP C[C@H]([NH2+]CCCN(C)CC(F)(F)F)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000548155882 504350689 /nfs/dbraw/zinc/35/06/89/504350689.db2.gz ZFEXWIOSMMQCCX-FUHWJXTLSA-N 2 0 357.464 3.371 20 0 FGADRP CCn1nc(C)c(C[NH2+]Cc2ccccc2N(C)C2CC[NH+](C)CC2)c1C ZINC000531595635 504357714 /nfs/dbraw/zinc/35/77/14/504357714.db2.gz WKWPFXZBCFYMRK-UHFFFAOYSA-N 2 0 369.557 3.340 20 0 FGADRP CC(C)[C@H](CNC(=O)N1CCC[N@@H+](C(C)(C)C)CC1)[NH+]1CCC(C)CC1 ZINC000519923809 504385041 /nfs/dbraw/zinc/38/50/41/504385041.db2.gz PPLHRCOVLWKYIW-IBGZPJMESA-N 2 0 366.594 3.259 20 0 FGADRP C[C@@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000531683356 504392281 /nfs/dbraw/zinc/39/22/81/504392281.db2.gz IEXJHPZHVHBVPH-UONOGXRCSA-N 2 0 369.431 3.496 20 0 FGADRP C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+][C@H]1CCn2ccnc2C1 ZINC000548307234 504393176 /nfs/dbraw/zinc/39/31/76/504393176.db2.gz OTXLEQQUTMVFJF-STQMWFEESA-N 2 0 366.387 3.224 20 0 FGADRP CC(C)O[C@@H]1C[C@@H]([NH2+][C@@H](CN2CC[NH+](C)CC2)c2ccccc2)C1(C)C ZINC000545201116 504393698 /nfs/dbraw/zinc/39/36/98/504393698.db2.gz MYUHVDDPSFFSFW-PWRODBHTSA-N 2 0 359.558 3.157 20 0 FGADRP C[NH+](C)Cc1ccc(CNC(=O)N2CC[NH+](CC3CCCCC3)CC2)cc1 ZINC000520054716 504404789 /nfs/dbraw/zinc/40/47/89/504404789.db2.gz ICIPIWCQHSAREZ-UHFFFAOYSA-N 2 0 372.557 3.156 20 0 FGADRP CC[N@H+](Cc1ccc(C(=O)N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc1)C1CC1 ZINC000520226421 504440236 /nfs/dbraw/zinc/44/02/36/504440236.db2.gz QNPKFIPBRAHSMT-VQTJNVASSA-N 2 0 355.526 3.133 20 0 FGADRP COCCOc1ccc(C[NH2+][C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000548483920 504462432 /nfs/dbraw/zinc/46/24/32/504462432.db2.gz BAKZPPIXDRRGOB-RXVVDRJESA-N 2 0 369.509 3.107 20 0 FGADRP CC(C)[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000539072145 504464961 /nfs/dbraw/zinc/46/49/61/504464961.db2.gz MOMZADKXXHYXJB-SFTDATJTSA-N 2 0 357.542 3.427 20 0 FGADRP C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]CCCCn1ccnc1 ZINC000531938489 504480053 /nfs/dbraw/zinc/48/00/53/504480053.db2.gz UBPXVJSIWZWVJI-MRXNPFEDSA-N 2 0 362.905 3.344 20 0 FGADRP C[C@H]([NH2+]CCc1ccc(OCC[N@@H+]2C[C@H](C)[C@H](C)C2)cc1)c1cnn(C)c1 ZINC000539294738 504521780 /nfs/dbraw/zinc/52/17/80/504521780.db2.gz FKWPGFMLKNBAQG-OTWHNJEPSA-N 2 0 370.541 3.280 20 0 FGADRP CC(C)C[C@H](CNC(=O)NC[C@H]1CCC[N@H+](C)C1)[NH2+][C@H](C)c1ccccc1 ZINC000532075839 504526963 /nfs/dbraw/zinc/52/69/63/504526963.db2.gz VPMIFXLAHYMLPH-SFHLNBCPSA-N 2 0 374.573 3.393 20 0 FGADRP Cc1cc(C)cc(OCCC[NH+]2CCC(C)(C[NH+]3CCN(C)CC3)CC2)c1 ZINC000542592662 504547942 /nfs/dbraw/zinc/54/79/42/504547942.db2.gz DUEFOXYWSNPHTC-UHFFFAOYSA-N 2 0 373.585 3.422 20 0 FGADRP CCc1ncc(C[NH2+]CCCC[NH+]2CCN(Cc3ccccc3)CC2)s1 ZINC000539426987 504567953 /nfs/dbraw/zinc/56/79/53/504567953.db2.gz CPKGVJXVWBHPGG-UHFFFAOYSA-N 2 0 372.582 3.393 20 0 FGADRP O=C(N[C@@H]1CC[NH+](C2CCCC2)C1)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000520734734 504569363 /nfs/dbraw/zinc/56/93/63/504569363.db2.gz PXMQQBIUVIKRMV-UYAOXDASSA-N 2 0 373.516 3.171 20 0 FGADRP CCCC[N@H+](C)CC1CC[NH+]([C@H](C)C(=O)N2C[C@H](C)C[C@H](C)C2)CC1 ZINC000520794941 504583907 /nfs/dbraw/zinc/58/39/07/504583907.db2.gz MGRWWJARXIMDHM-CEXWTWQISA-N 2 0 351.579 3.323 20 0 FGADRP C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)CCN(C)c2cc[nH+]cc2)CC1 ZINC000542786169 504609286 /nfs/dbraw/zinc/60/92/86/504609286.db2.gz FIJFNFDNKMKHFH-IBGZPJMESA-N 2 0 372.557 3.411 20 0 FGADRP C[NH+]1CCC(O)(C[NH2+][C@H]2CCC[C@@H]2c2ccc(C(F)(F)F)cc2)CC1 ZINC000539609281 504624708 /nfs/dbraw/zinc/62/47/08/504624708.db2.gz QUAIMQDKMVYMNP-SJORKVTESA-N 2 0 356.432 3.388 20 0 FGADRP C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)C1 ZINC000542840345 504631098 /nfs/dbraw/zinc/63/10/98/504631098.db2.gz JLPKXOAOPSGBPC-HNNXBMFYSA-N 2 0 352.404 3.275 20 0 FGADRP CCCC[N@H+](CC)Cc1cccc(CNC(=O)N[C@H]2CC[NH2+]C23CCC3)c1 ZINC000529316986 504632976 /nfs/dbraw/zinc/63/29/76/504632976.db2.gz MQTAMPXSBHTAOO-FQEVSTJZSA-N 2 0 372.557 3.392 20 0 FGADRP CC(C)C[C@@H]1CCC[N@@H+]1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000532523293 504682121 /nfs/dbraw/zinc/68/21/21/504682121.db2.gz VVNFNNZFEVBCIB-NRFANRHFSA-N 2 0 357.542 3.409 20 0 FGADRP C[C@H](c1cccc2ccccc21)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000532537967 504685587 /nfs/dbraw/zinc/68/55/87/504685587.db2.gz BSCFASFBZDBMCL-DYESRHJHSA-N 2 0 351.494 3.139 20 0 FGADRP CC(C)[N@H+](C)CC1CCN(CC(=O)Nc2nc3ccccc3s2)CC1 ZINC000532536651 504685785 /nfs/dbraw/zinc/68/57/85/504685785.db2.gz FVNBEMFJBSGSMK-UHFFFAOYSA-N 2 0 360.527 3.287 20 0 FGADRP CC[NH+](CC)CCOC1CC[NH+](Cc2ccc(OC)c(OC)c2)CC1 ZINC000539825363 504706039 /nfs/dbraw/zinc/70/60/39/504706039.db2.gz OUDYWECPKAGUEA-UHFFFAOYSA-N 2 0 350.503 3.027 20 0 FGADRP C[NH+](C)CCOC1CC[NH+](Cc2ccccc2OCc2ccccn2)CC1 ZINC000539832380 504708693 /nfs/dbraw/zinc/70/86/93/504708693.db2.gz SCQLCKOKBHOBLD-UHFFFAOYSA-N 2 0 369.509 3.203 20 0 FGADRP C[C@@H](C[C@@H]1CCCO1)[NH2+]Cc1c(Cl)cccc1N1CC[NH+](C)CC1 ZINC000539949753 504746333 /nfs/dbraw/zinc/74/63/33/504746333.db2.gz FOONXULFNFWOET-HOTGVXAUSA-N 2 0 351.922 3.139 20 0 FGADRP CCC[NH+]1CCN(c2ccccc2C[NH2+]CC(C)(C)[C@H](O)C(C)C)CC1 ZINC000532828705 504764428 /nfs/dbraw/zinc/76/44/28/504764428.db2.gz LUZWBQWZLKTUEQ-OAQYLSRUSA-N 2 0 361.574 3.351 20 0 FGADRP CCCC[NH+]1CCC([NH2+]C[C@H](O)COc2ccc(SC)cc2)CC1 ZINC000521613029 504764785 /nfs/dbraw/zinc/76/47/85/504764785.db2.gz QAPKKBOUSJPLDS-KRWDZBQOSA-N 2 0 352.544 3.002 20 0 FGADRP CCC[NH+]1CCN(c2ccccc2C[NH2+]CCNc2cccc(C)n2)CC1 ZINC000532867109 504769572 /nfs/dbraw/zinc/76/95/72/504769572.db2.gz XBNYCLOSYGMCGH-UHFFFAOYSA-N 2 0 367.541 3.124 20 0 FGADRP CCN(C(=O)NCC1CC[NH+](CC)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000562306329 504778686 /nfs/dbraw/zinc/77/86/86/504778686.db2.gz BJTQZDSAXWSFEX-OAQYLSRUSA-N 2 0 372.557 3.024 20 0 FGADRP CC[N@@H+]1CCN(C(=O)c2cccc(C[NH+](C)Cc3ccccc3)c2)[C@H](C)C1 ZINC000552984913 504799046 /nfs/dbraw/zinc/79/90/46/504799046.db2.gz MBNYSQWGBXTNKC-LJQANCHMSA-N 2 0 365.521 3.485 20 0 FGADRP COC1(CC[N@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)CCC1 ZINC000549471455 504831330 /nfs/dbraw/zinc/83/13/30/504831330.db2.gz LURXJIGWBJFMFN-UHFFFAOYSA-N 2 0 351.579 3.074 20 0 FGADRP C[NH+](C)[C@@H](CNC(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1cccc(F)c1 ZINC000553177552 504845752 /nfs/dbraw/zinc/84/57/52/504845752.db2.gz HARPZSBQVMBYIY-CTNGQTDRSA-N 2 0 369.484 3.067 20 0 FGADRP CC(C)[C@@]1(CO)CCC[NH+](CCCC[N@H+]2CCC[C@](CO)(C(C)C)C2)C1 ZINC000559424406 504858812 /nfs/dbraw/zinc/85/88/12/504858812.db2.gz FQGQAQWMGSYDLU-VXKWHMMOSA-N 2 0 368.606 3.228 20 0 FGADRP CC[NH+]1CCN(c2ccc(C[NH2+]Cc3cc(C)cc(Cl)c3)cn2)CC1 ZINC000549711194 504878490 /nfs/dbraw/zinc/87/84/90/504878490.db2.gz MEMHRFHTHMHVPW-UHFFFAOYSA-N 2 0 358.917 3.475 20 0 FGADRP CC[C@@H](C(=O)NC[C@@H](c1cccs1)[NH+](C)C)[N@H+](C)Cc1ccccc1 ZINC000549737520 504884574 /nfs/dbraw/zinc/88/45/74/504884574.db2.gz LCEIKDPSBWBFTQ-ROUUACIJSA-N 2 0 359.539 3.378 20 0 FGADRP CC[C@H](C(=O)NCc1ccccc1C[NH+](C)C)[N@H+](C)Cc1ccccc1 ZINC000549772702 504894753 /nfs/dbraw/zinc/89/47/53/504894753.db2.gz ZSIJZAGKDRJSRL-OAQYLSRUSA-N 2 0 353.510 3.275 20 0 FGADRP CC[NH+](CC)Cc1ccc(CNC(=O)N2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)cc1 ZINC000553377254 504898113 /nfs/dbraw/zinc/89/81/13/504898113.db2.gz ZRQOXLFZRNHEIC-RXVVDRJESA-N 2 0 372.557 3.297 20 0 FGADRP CCc1cccc(C[NH+]2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)c1 ZINC000565485379 504901562 /nfs/dbraw/zinc/90/15/62/504901562.db2.gz DGXSASZPNYPJPX-UHFFFAOYSA-N 2 0 357.542 3.063 20 0 FGADRP CN(c1ccccc1C[NH2+]C[C@]1(O)CCCC1(C)C)C1CC[NH+](C)CC1 ZINC000549858522 504918623 /nfs/dbraw/zinc/91/86/23/504918623.db2.gz YXVATJAKKFRGMT-JOCHJYFZSA-N 2 0 359.558 3.248 20 0 FGADRP C[NH+](C)CCCCC(=O)NC[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000556663034 504932545 /nfs/dbraw/zinc/93/25/45/504932545.db2.gz ZUERJTSNMFHTPD-HNAYVOBHSA-N 2 0 369.912 3.320 20 0 FGADRP O[C@H](Cc1ccc(F)cc1)C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000550097520 504966076 /nfs/dbraw/zinc/96/60/76/504966076.db2.gz RMVUJIOZMXLRAM-PKTZIBPZSA-N 2 0 368.496 3.327 20 0 FGADRP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+](C)C[C@H]2CC=CCC2)CC1 ZINC000562894465 504978719 /nfs/dbraw/zinc/97/87/19/504978719.db2.gz PJCXLHXSDNEYQM-FQEVSTJZSA-N 2 0 369.553 3.364 20 0 FGADRP COC(=O)CCC[C@@H]1CCC[C@@H]([NH2+]CC2(SC)CC[NH+](C)CC2)C1 ZINC000550218609 504994860 /nfs/dbraw/zinc/99/48/60/504994860.db2.gz SRBAGCSAGKOMOB-DLBZAZTESA-N 2 0 356.576 3.306 20 0 FGADRP C[C@@H]1CC[C@H]([NH2+]C[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)[C@H](n2cncn2)C1 ZINC000562962875 505001200 /nfs/dbraw/zinc/00/12/00/505001200.db2.gz XDXIGHFFDMBBKD-DIFIXFHHSA-N 2 0 371.504 3.130 20 0 FGADRP Clc1ccc([C@H]2OCC[C@H]2[NH2+]Cc2cc(C3CC[NH2+]CC3)no2)cc1 ZINC000562970138 505004250 /nfs/dbraw/zinc/00/42/50/505004250.db2.gz WHQRAMBHUDEPAG-IEBWSBKVSA-N 2 0 361.873 3.415 20 0 FGADRP CNC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000556884438 505005633 /nfs/dbraw/zinc/00/56/33/505005633.db2.gz KFYCWHBPVPDWLN-LILSUDLASA-N 2 0 369.553 3.182 20 0 FGADRP Cc1ncc(C[NH2+][C@@H]2CCCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c(=O)[nH]1 ZINC000556889946 505008040 /nfs/dbraw/zinc/00/80/40/505008040.db2.gz LOUUBCOHCNYIDH-SESVDKBCSA-N 2 0 366.509 3.271 20 0 FGADRP CC(C)C[N@@H+]1CC[C@H](C[NH2+]C[C@@H](O)COc2ccc3ccccc3c2)C1 ZINC000562989911 505011867 /nfs/dbraw/zinc/01/18/67/505011867.db2.gz BMVXWGPTWQJCGV-WIYYLYMNSA-N 2 0 356.510 3.147 20 0 FGADRP C[C@@H](CC(=O)N1CCC[N@H+](CCCc2ccccc2)CC1)[C@H]1CCC[NH2+]C1 ZINC000563046636 505032617 /nfs/dbraw/zinc/03/26/17/505032617.db2.gz CDBJQLSIYQJFCF-UNMCSNQZSA-N 2 0 371.569 3.179 20 0 FGADRP C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)C[C@@H]3CCCC[C@H]3[NH3+])cc2)C1 ZINC000563060542 505036739 /nfs/dbraw/zinc/03/67/39/505036739.db2.gz IJWVGVJIHHJLDC-JRGCBEDISA-N 2 0 357.542 3.442 20 0 FGADRP CC[N@H+](CCC1CCN(C(=O)NCc2ccc(C[NH3+])cc2)CC1)CC1CC1 ZINC000563087434 505044441 /nfs/dbraw/zinc/04/44/41/505044441.db2.gz PAVJXKUZZUGAEX-UHFFFAOYSA-N 2 0 372.557 3.189 20 0 FGADRP O=C(CN[C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)NC1CCCCC1 ZINC000563121026 505052453 /nfs/dbraw/zinc/05/24/53/505052453.db2.gz XOUSDQSQTKOVLW-HXUWFJFHSA-N 2 0 355.526 3.222 20 0 FGADRP O[C@@H](C[NH2+]C1CC[NH+](C2CCCC2)CC1)COc1ccccc1Cl ZINC000566063324 505069367 /nfs/dbraw/zinc/06/93/67/505069367.db2.gz OMXQMGSGRJTWED-KRWDZBQOSA-N 2 0 352.906 3.076 20 0 FGADRP CC[N@H+](Cc1ccc(C(=O)NCc2cnc3n2CCCC3)cc1)C1CC1 ZINC000560394849 505069792 /nfs/dbraw/zinc/06/97/92/505069792.db2.gz QXJXYIJVPWOLQX-UHFFFAOYSA-N 2 0 352.482 3.134 20 0 FGADRP C[NH+](C)CC1CCC([NH2+]C[C@@H](O)COc2cccc3ccccc32)CC1 ZINC000566115885 505086174 /nfs/dbraw/zinc/08/61/74/505086174.db2.gz SYSGEOODAQSIKR-LYBXBRPPSA-N 2 0 356.510 3.290 20 0 FGADRP C[C@H]1C[C@@H](CCNC(=O)c2ccc3c[nH+]cn3c2)C[N@@H+]1Cc1ccccc1 ZINC000550716235 505089676 /nfs/dbraw/zinc/08/96/76/505089676.db2.gz XXFVUVVZMDHJDL-PKOBYXMFSA-N 2 0 362.477 3.365 20 0 FGADRP CCC[C@H](C)C(=O)NCC[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000550830900 505111198 /nfs/dbraw/zinc/11/11/98/505111198.db2.gz LRANWQWCCWORNA-BDKRGJGYSA-N 2 0 371.569 3.429 20 0 FGADRP CC[NH+](CC)CCCNC(=O)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000554217588 505118653 /nfs/dbraw/zinc/11/86/53/505118653.db2.gz DVZIYEQSZRUZKY-JOCHJYFZSA-N 2 0 372.557 3.026 20 0 FGADRP C[C@]1(c2ccccc2)CC[C@H]([N@@H+]2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)C1 ZINC000566230595 505119123 /nfs/dbraw/zinc/11/91/23/505119123.db2.gz INAUHNALLQIITH-ANZJIFDASA-N 2 0 369.553 3.077 20 0 FGADRP CC(C)[C@@H](C[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1)N1CCOCC1 ZINC000550892130 505121539 /nfs/dbraw/zinc/12/15/39/505121539.db2.gz PBGNISTYJVCOFB-XPPIMPSXSA-N 2 0 373.585 3.376 20 0 FGADRP CC[NH2+]CC1CC[NH+](Cc2csc(-c3ccc(C(=O)OC)cc3)n2)CC1 ZINC000566246187 505122450 /nfs/dbraw/zinc/12/24/50/505122450.db2.gz NMSQVIGVLNZOPJ-UHFFFAOYSA-N 2 0 373.522 3.418 20 0 FGADRP C[N@@H+]1CC[C@H]([NH2+]CCCOc2ccc(C(F)(F)F)cn2)[C@H]2CCC[C@H]21 ZINC000560550036 505122442 /nfs/dbraw/zinc/12/24/42/505122442.db2.gz TURMXKKRSDDBFH-OWCLPIDISA-N 2 0 357.420 3.332 20 0 FGADRP C[NH2+][C@@H](CC(C)(C)C)C(=O)N[C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000566299186 505138244 /nfs/dbraw/zinc/13/82/44/505138244.db2.gz UHKBVUFLEAHURC-KVPLUYHFSA-N 2 0 359.558 3.283 20 0 FGADRP c1ccc(N2CC[NH+](CCCC[NH2+][C@@H]3COc4ccccc4C3)CC2)cc1 ZINC000551006637 505141684 /nfs/dbraw/zinc/14/16/84/505141684.db2.gz VAMQAMFSPDEKEJ-NRFANRHFSA-N 2 0 365.521 3.182 20 0 FGADRP CC(C)c1[nH+]c(CNc2ccc(N3CC[NH+](C)CC3)nc2)c2ccccn21 ZINC000566335889 505147074 /nfs/dbraw/zinc/14/70/74/505147074.db2.gz JPBXOGMSDYQMGI-UHFFFAOYSA-N 2 0 364.497 3.217 20 0 FGADRP C[N@@H+]1CC[C@H](NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)C[C@@H]1c1ccccc1 ZINC000551087643 505155093 /nfs/dbraw/zinc/15/50/93/505155093.db2.gz VNXVQLPEMFGLPP-AFXVXQJMSA-N 2 0 371.569 3.179 20 0 FGADRP C[C@H](CNC(=O)NCc1ccccc1C[NH+]1CCC(C)CC1)[N@H+](C)C1CC1 ZINC000560754412 505178670 /nfs/dbraw/zinc/17/86/70/505178670.db2.gz ADUZTHNSGVCHPI-GOSISDBHSA-N 2 0 372.557 3.200 20 0 FGADRP CCN(C)c1ccc(C[NH2+]Cc2ccc(OC3CC[NH+](C)CC3)cc2)cn1 ZINC000551219135 505180014 /nfs/dbraw/zinc/18/00/14/505180014.db2.gz BNWAVYQQZPNTKG-UHFFFAOYSA-N 2 0 368.525 3.301 20 0 FGADRP C[NH2+][C@@H](C)C(=O)NCc1ccccc1-c1ccc(C[NH+]2CCCC2)cc1 ZINC000566469252 505184254 /nfs/dbraw/zinc/18/42/54/505184254.db2.gz CTQSEJPQKCLLET-KRWDZBQOSA-N 2 0 351.494 3.174 20 0 FGADRP CC[C@H](C[NH2+][C@@H]1CC[C@H](C)C[C@H]1n1cncn1)N1CCc2ccccc2C1 ZINC000551267749 505189750 /nfs/dbraw/zinc/18/97/50/505189750.db2.gz VNMAOCFDNVUVSR-ZHNGQKSSSA-N 2 0 367.541 3.434 20 0 FGADRP CC(C)[NH2+]CCCNC(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000563693251 505213898 /nfs/dbraw/zinc/21/38/98/505213898.db2.gz WXDCBMUXESKRBQ-UHFFFAOYSA-N 2 0 360.546 3.106 20 0 FGADRP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]Cc2cccc(I)c2)C1 ZINC000551592514 505263789 /nfs/dbraw/zinc/26/37/89/505263789.db2.gz QMUYLZOMIHVISV-LSDHHAIUSA-N 2 0 358.267 3.254 20 0 FGADRP C[C@@H]1CN(C(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)C[C@@]1(C)C[NH3+] ZINC000561151390 505264762 /nfs/dbraw/zinc/26/47/62/505264762.db2.gz GMXIHRLILCCGRP-XMSQKQJNSA-N 2 0 372.557 3.189 20 0 FGADRP C[C@@H]1C[NH2+]CC[C@H]1[NH2+]Cc1cn(Cc2ccccc2)nc1-c1cccnc1 ZINC000563944396 505284267 /nfs/dbraw/zinc/28/42/67/505284267.db2.gz HUPGOOXIRHVPIG-DYESRHJHSA-N 2 0 361.493 3.081 20 0 FGADRP C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000558022272 505288085 /nfs/dbraw/zinc/28/80/85/505288085.db2.gz FEHMUCFASXRIJL-MISYRCLQSA-N 2 0 362.562 3.052 20 0 FGADRP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000558022273 505288359 /nfs/dbraw/zinc/28/83/59/505288359.db2.gz FEHMUCFASXRIJL-RLLQIKCJSA-N 2 0 362.562 3.052 20 0 FGADRP CC(C)[NH+]1CCN(CCC[N@H+](C)[C@]2(c3ccccc3)CCCCC2=O)CC1 ZINC000551735470 505295348 /nfs/dbraw/zinc/29/53/48/505295348.db2.gz XTYXQAHHLLDMHY-QHCPKHFHSA-N 2 0 371.569 3.373 20 0 FGADRP C[N@H+](Cc1ccccc1)C1CN(C(=O)c2cccc(C[NH+]3CCCC3)c2)C1 ZINC000561282878 505303863 /nfs/dbraw/zinc/30/38/63/505303863.db2.gz RPFHVGCJOFZRNL-UHFFFAOYSA-N 2 0 363.505 3.239 20 0 FGADRP CO[C@@H](C[NH+]1CCN(CC[N@H+](C)Cc2ccccc2)CC1)c1ccccc1 ZINC000555015014 505328922 /nfs/dbraw/zinc/32/89/22/505328922.db2.gz CJJSFPNUVZERLM-QHCPKHFHSA-N 2 0 367.537 3.124 20 0 FGADRP [NH3+][C@H]1CCO[C@@H](C2CC[NH+](Cc3coc(-c4cccc(F)c4)n3)CC2)C1 ZINC000564193210 505349304 /nfs/dbraw/zinc/34/93/04/505349304.db2.gz KGQABWDKKDJFII-PKOBYXMFSA-N 2 0 359.445 3.199 20 0 FGADRP COC(=O)[C@@H](C)Oc1ccc(C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)cc1 ZINC000551978323 505359879 /nfs/dbraw/zinc/35/98/79/505359879.db2.gz MSKQDBQOQAYVER-QGZVFWFLSA-N 2 0 362.514 3.179 20 0 FGADRP C[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)[C@@H]1C[C@H]1c1ccccc1 ZINC000555167673 505369383 /nfs/dbraw/zinc/36/93/83/505369383.db2.gz KZGGVRAFDAESBZ-QMMLZNLJSA-N 2 0 350.510 3.115 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1conc1Cc1ccccc1 ZINC000552042624 505378957 /nfs/dbraw/zinc/37/89/57/505378957.db2.gz QUJCCAJZSATXST-NRFANRHFSA-N 2 0 370.541 3.113 20 0 FGADRP O=C(Nc1ccc(CC[NH+]2CCCCC2)cc1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000564426190 505416385 /nfs/dbraw/zinc/41/63/85/505416385.db2.gz IOWIYERPPHVONY-JOCHJYFZSA-N 2 0 370.541 3.322 20 0 FGADRP CCOC[C@@H](O)C[NH2+]Cc1ccccc1-c1ccc(C[NH+]2CCCC2)cc1 ZINC000567377842 505445642 /nfs/dbraw/zinc/44/56/42/505445642.db2.gz FALXYEVHYFXKJZ-QFIPXVFZSA-N 2 0 368.521 3.436 20 0 FGADRP Cc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)c(-n2cc(Cl)cn2)n1 ZINC000552284325 505450275 /nfs/dbraw/zinc/45/02/75/505450275.db2.gz WOJITBJWLKKGRR-KZNAEPCWSA-N 2 0 359.905 3.192 20 0 FGADRP CCc1ccc([C@H](C)NC(=O)[C@H](C)N2CC[C@@]3(C2)CCC[N@H+](C)C3)cc1 ZINC000555598435 505468937 /nfs/dbraw/zinc/46/89/37/505468937.db2.gz UARKHYRBWWTCJB-SPEDKVCISA-N 2 0 357.542 3.232 20 0 FGADRP C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)[C@@H]3C[C@@H]4CCCC[C@H]4[NH2+]3)cc2)C1 ZINC000561947911 505475305 /nfs/dbraw/zinc/47/53/05/505475305.db2.gz JEDMPOKGIRICAA-YCZSINBZSA-N 2 0 369.553 3.455 20 0 FGADRP C[NH+](C)[C@H](CNC(=O)c1ccc(C[NH+]2CCCC2)cc1)Cc1ccccc1 ZINC000558820481 505502134 /nfs/dbraw/zinc/50/21/34/505502134.db2.gz BYUBZQUYFMHQJP-QFIPXVFZSA-N 2 0 365.521 3.185 20 0 FGADRP CC(C)[C@@H](C[NH2+][C@H]1CCCc2c3ccccc3[nH]c21)N1CC[NH+](C)CC1 ZINC000564755436 505511241 /nfs/dbraw/zinc/51/12/41/505511241.db2.gz ZDPFFDJPGBRPKB-LEWJYISDSA-N 2 0 354.542 3.407 20 0 FGADRP Cc1ccc(-c2noc(CCC[NH+]3CCC([C@@H]4CC[NH2+]C4)CC3)n2)cc1F ZINC000567735950 505552539 /nfs/dbraw/zinc/55/25/39/505552539.db2.gz WKFNJASMDPPWIY-GOSISDBHSA-N 2 0 372.488 3.438 20 0 FGADRP O=C(Nc1nc(C2CC[NH2+]CC2)cs1)[C@H]1CCCN1Cc1ccccc1 ZINC000564956795 505562875 /nfs/dbraw/zinc/56/28/75/505562875.db2.gz SZPJVCUIAAHQNY-GOSISDBHSA-N 2 0 370.522 3.213 20 0 FGADRP CC(C)[NH+]1CCN(c2cccc(NC(=O)[C@@H]3C[C@@H]4CCCC[C@@H]4[NH2+]3)c2)CC1 ZINC000564992846 505566225 /nfs/dbraw/zinc/56/62/25/505566225.db2.gz KQIOTCSNCCDKCB-YYWHXJBOSA-N 2 0 370.541 3.076 20 0 FGADRP CN1CCC([NH+]2CCC(CC[N@H+](C)C[C@@H]3Cc4ccccc43)CC2)CC1 ZINC000582743438 506394619 /nfs/dbraw/zinc/39/46/19/506394619.db2.gz GNVIQIACNFZQRS-NRFANRHFSA-N 2 0 355.570 3.454 20 0 FGADRP O=C(Nc1cnn(-c2cc[nH+]cc2)c1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000589077104 506430427 /nfs/dbraw/zinc/43/04/27/506430427.db2.gz OZHLTRSXNDZANO-SFHVURJKSA-N 2 0 361.449 3.118 20 0 FGADRP COC(=O)c1cc(C[NH2+]Cc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)cn1C ZINC000589168604 506467907 /nfs/dbraw/zinc/46/79/07/506467907.db2.gz GAXRFSXODPYZET-KRWDZBQOSA-N 2 0 369.509 3.333 20 0 FGADRP C[NH+](C)CCN(C(=O)C1CC[NH+](Cc2ccccc2)CC1)C1CCCC1 ZINC000603272482 506474186 /nfs/dbraw/zinc/47/41/86/506474186.db2.gz FWXRLIXGBTXLOE-UHFFFAOYSA-N 2 0 357.542 3.231 20 0 FGADRP CCC[NH+]1CCC(N(C)C(=O)N[C@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)CC1 ZINC000589213233 506486448 /nfs/dbraw/zinc/48/64/48/506486448.db2.gz QHJRFBDJKPOTND-QUCCMNQESA-N 2 0 372.557 3.338 20 0 FGADRP COc1cc(C)c(C[C@@H](C)[NH2+]CC2(SC)CC[NH+](C)CC2)cc1OC ZINC000589349438 506526104 /nfs/dbraw/zinc/52/61/04/506526104.db2.gz VJUPSJGZXRXHBZ-MRXNPFEDSA-N 2 0 366.571 3.360 20 0 FGADRP Fc1ccc(CN2CCC[N@H+](Cc3ccc4c(c3)C[NH2+]CC4)CC2)cc1 ZINC000583147553 506616690 /nfs/dbraw/zinc/61/66/90/506616690.db2.gz NXYNAZUKXZHSCF-UHFFFAOYSA-N 2 0 353.485 3.179 20 0 FGADRP COc1ccc(F)cc1CN1CCN(Cc2ncc(C)c(OC)c2C)CC1 ZINC000589705714 506636096 /nfs/dbraw/zinc/63/60/96/506636096.db2.gz BASLLWFAKMBDKI-UHFFFAOYSA-N 2 0 373.472 3.173 20 0 FGADRP NC(=O)[C@H]1CC[C@H](C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)CC1 ZINC000583197692 506645056 /nfs/dbraw/zinc/64/50/56/506645056.db2.gz COBRWHNJIZWGIX-FYKMYLNBSA-N 2 0 369.553 3.311 20 0 FGADRP C[C@H](NC(=O)N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1)C1CC[NH+](C)CC1 ZINC000608693366 506669086 /nfs/dbraw/zinc/66/90/86/506669086.db2.gz PWDDOPOZTXNQEA-OALUTQOASA-N 2 0 372.557 3.023 20 0 FGADRP CC[NH+]1CCC(CNC(=O)N2C[C@H](C)[N@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000583255266 506680181 /nfs/dbraw/zinc/68/01/81/506680181.db2.gz TZQOQGVKRIDONK-OALUTQOASA-N 2 0 372.557 3.023 20 0 FGADRP C[C@@H](OC[C@@H](O)C[NH2+]CCC1CC[NH+](C)CC1)c1ccc(Cl)cc1 ZINC000583317663 506714518 /nfs/dbraw/zinc/71/45/18/506714518.db2.gz SCODPUYJLMZKLK-BEFAXECRSA-N 2 0 354.922 3.100 20 0 FGADRP COc1ccccc1[C@H](CNC(=O)C[C@@H]1CCCC[C@@H]1[NH3+])[NH+]1CCCCC1 ZINC000583319756 506715414 /nfs/dbraw/zinc/71/54/14/506715414.db2.gz GWVOKRWATDURHY-IHPCNDPISA-N 2 0 373.541 3.246 20 0 FGADRP O=C(N[C@H](C[NH+]1CCCCC1)c1ccccc1)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000604176085 506738055 /nfs/dbraw/zinc/73/80/55/506738055.db2.gz VMVXWQKIZSPRNN-PWRODBHTSA-N 2 0 370.541 3.140 20 0 FGADRP Cc1cccc(CN(CC[NH+](C)C)C(=O)Nc2cccc3c2CC[NH2+]C3)c1 ZINC000583369846 506743283 /nfs/dbraw/zinc/74/32/83/506743283.db2.gz RNFBZJYSPARMHK-UHFFFAOYSA-N 2 0 366.509 3.236 20 0 FGADRP O=C(N[C@H](C[NH+]1CCCCC1)c1ccccc1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000604202207 506750325 /nfs/dbraw/zinc/75/03/25/506750325.db2.gz STQOAKPNOPWYKE-LEWJYISDSA-N 2 0 370.541 3.093 20 0 FGADRP CC[NH+](CC)Cc1ccc(C(=O)N2CC[NH+](C3CCC(C)CC3)CC2)o1 ZINC000604294769 506776027 /nfs/dbraw/zinc/77/60/27/506776027.db2.gz CKMSMJFHLDNUFG-UHFFFAOYSA-N 2 0 361.530 3.458 20 0 FGADRP CCOC(=O)c1ccn(-c2cccc(C[NH2+][C@H]3CC[N@H+](C)C(C)(C)C3)c2)n1 ZINC000600166268 506818260 /nfs/dbraw/zinc/81/82/60/506818260.db2.gz LAJOCQQZFRQRHU-KRWDZBQOSA-N 2 0 370.497 3.011 20 0 FGADRP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)[C@@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000613128597 506930745 /nfs/dbraw/zinc/93/07/45/506930745.db2.gz HNLXALGLGTXDAE-SIKLNZKXSA-N 2 0 371.569 3.130 20 0 FGADRP Cc1cccc(OC[C@H](O)C[NH2+]Cc2ccccc2C[NH+]2CCCC2)c1 ZINC000583866802 507019512 /nfs/dbraw/zinc/01/95/12/507019512.db2.gz HWFNWDFIFYNFDY-OAQYLSRUSA-N 2 0 354.494 3.120 20 0 FGADRP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)Nc1cccc(OCC[NH+](C)C)c1 ZINC000594231160 507027550 /nfs/dbraw/zinc/02/75/50/507027550.db2.gz BCFPAWPBURBHSO-CALCHBBNSA-N 2 0 362.518 3.011 20 0 FGADRP O=C(N[C@@H](C[NH+]1CCCC1)c1ccccc1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000594288930 507064340 /nfs/dbraw/zinc/06/43/40/507064340.db2.gz ZCBMTYUVXHHKRH-SFTDATJTSA-N 2 0 370.541 3.093 20 0 FGADRP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H](c1ccccc1OC)[NH+]1CCCCC1 ZINC000591097763 507113170 /nfs/dbraw/zinc/11/31/70/507113170.db2.gz FIAFBIYZLJEKHK-VQTJNVASSA-N 2 0 373.541 3.213 20 0 FGADRP C[C@H](C[NH+]1CC[C@@H](c2cccnc2)C1)C[N@@H+]1CC[C@H](c2cccnc2)C1 ZINC000584051174 507124430 /nfs/dbraw/zinc/12/44/30/507124430.db2.gz LFQDRPQAQIEIOR-RGPKIKJVSA-N 2 0 350.510 3.392 20 0 FGADRP CC(C)[N@H+](C)CC(=O)NC[C@@H]1CCCCN1Cc1cccc(Cl)c1 ZINC000597867253 507142123 /nfs/dbraw/zinc/14/21/23/507142123.db2.gz ICCDVDIDVAOGRK-SFHVURJKSA-N 2 0 351.922 3.151 20 0 FGADRP C[C@H]([NH2+]CCCC[NH+]1CCN(C)CC1)c1cc(Br)cs1 ZINC000584089477 507145734 /nfs/dbraw/zinc/14/57/34/507145734.db2.gz PUHDTEVGBJMLAA-ZDUSSCGKSA-N 2 0 360.365 3.189 20 0 FGADRP C[C@@H](CNC(=O)c1ccccc1OCC[N@@H+]1CCCC[C@@H]1C)[NH+]1CCCC1 ZINC000591430853 507247984 /nfs/dbraw/zinc/24/79/84/507247984.db2.gz VRZGAMGCFWQSFV-OALUTQOASA-N 2 0 373.541 3.154 20 0 FGADRP CC[NH+](CC)CCCC1CCN(C(=O)N[C@@H](C)C[N@H+](C)C(C)C)CC1 ZINC000584324154 507280242 /nfs/dbraw/zinc/28/02/42/507280242.db2.gz BUUPCAAYHYKWBV-SFHVURJKSA-N 2 0 354.583 3.259 20 0 FGADRP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000591573623 507297887 /nfs/dbraw/zinc/29/78/87/507297887.db2.gz GCUCLVIFIAPHMY-ZGXWSNOMSA-N 2 0 364.578 3.013 20 0 FGADRP C[C@@H]([NH2+][C@H]1CC12CC[NH2+]CC2)c1ccc(I)cc1 ZINC000591579239 507301483 /nfs/dbraw/zinc/30/14/83/507301483.db2.gz CJWZZABILFDRGL-RISCZKNCSA-N 2 0 356.251 3.084 20 0 FGADRP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)Nc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000584458139 507356707 /nfs/dbraw/zinc/35/67/07/507356707.db2.gz QTRLRPCETHHXBW-HZPDHXFCSA-N 2 0 358.530 3.210 20 0 FGADRP c1cc2n(n1)C[C@@H](C[NH2+]Cc1cccc(C[NH+]3CCCCCC3)c1)CN2 ZINC000595153872 507412655 /nfs/dbraw/zinc/41/26/55/507412655.db2.gz PSQLXLSBTCYIIM-FQEVSTJZSA-N 2 0 353.514 3.091 20 0 FGADRP CC[NH+](CC)Cc1ccccc1CNC(=O)N1CC[N@H+](C)C[C@@H]1C(C)C ZINC000606627717 507458354 /nfs/dbraw/zinc/45/83/54/507458354.db2.gz XWQVGDCELJTVHW-HXUWFJFHSA-N 2 0 360.546 3.010 20 0 FGADRP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)N[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000606690475 507483284 /nfs/dbraw/zinc/48/32/84/507483284.db2.gz AGGKCXBKGCXQRN-RTWAWAEBSA-N 2 0 372.557 3.195 20 0 FGADRP C[C@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000592377051 507626620 /nfs/dbraw/zinc/62/66/20/507626620.db2.gz RKMASBFOVXWGDQ-OALUTQOASA-N 2 0 373.541 3.106 20 0 FGADRP c1cn([C@@H]2CCC[NH+](CCCCC[N@@H+]3CCC[C@@H](n4ccnc4)C3)C2)cn1 ZINC000607151846 507634346 /nfs/dbraw/zinc/63/43/46/507634346.db2.gz SKPIHTRXLWDWSO-NHCUHLMSSA-N 2 0 370.545 3.224 20 0 FGADRP C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+][C@@H]1CC[C@H](C(=O)OC(C)(C)C)C1 ZINC000592404788 507643581 /nfs/dbraw/zinc/64/35/81/507643581.db2.gz WNWJYNFLFGCTMT-RMJJICAUSA-N 2 0 373.541 3.392 20 0 FGADRP c1ccc(C[N@H+]2C[C@@H]3CCCC[C@H]([NH2+]CCNc4cnccn4)[C@@H]3C2)cc1 ZINC000513662394 516710046 /nfs/dbraw/zinc/71/00/46/516710046.db2.gz VDCFAZCNGKFTBE-HBMCJLEFSA-N 2 0 365.525 3.169 20 0 FGADRP Cc1cnc(NC[C@H]2CC[N@@H+](C(C)C)C2)nc1NC[C@@H]1CC[NH+](C(C)C)C1 ZINC000532045710 562465025 /nfs/dbraw/zinc/46/50/25/562465025.db2.gz OLMWZFZRGHEGMB-RBUKOAKNSA-N 2 0 374.577 3.069 20 0 FGADRP CC[C@@H]1CN(C(=O)NCc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)CC[C@@H]1[NH3+] ZINC000669117729 568032069 /nfs/dbraw/zinc/03/20/69/568032069.db2.gz AEYIMSTZVIGQTE-WMQCIHAUSA-N 2 0 372.557 3.330 20 0 FGADRP C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000669125177 568086103 /nfs/dbraw/zinc/08/61/03/568086103.db2.gz XPKPPNZNZSNVFE-DBXWQHBBSA-N 2 0 372.557 3.330 20 0 FGADRP CC(C)[N@H+](C)Cc1ccccc1C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC000820112226 607473249 /nfs/dbraw/zinc/47/32/49/607473249.db2.gz NJWXEPFYVHZIGN-UHFFFAOYSA-N 2 0 368.460 3.136 20 0 FGADRP C[C@H]([NH2+]CCCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824877612 609133732 /nfs/dbraw/zinc/13/37/32/609133732.db2.gz ZEZIVGXMRNRQBM-XHSDSOJGSA-N 2 0 374.508 3.415 20 0 FGADRP C[C@@H]([NH2+]CCCCC[NH+]1CCCCC1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824584657 609142757 /nfs/dbraw/zinc/14/27/57/609142757.db2.gz DECQOQLMZVABFG-OAHLLOKOSA-N 2 0 360.481 3.313 20 0 FGADRP Brc1ccc(OCC[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)cc1 ZINC000037917733 695755663 /nfs/dbraw/zinc/75/56/63/695755663.db2.gz HKYJDQZDRODDLD-PBHICJAKSA-N 2 0 353.304 3.292 20 0 FGADRP CCC[NH+]1CCN(c2ccccc2C[NH2+]C[C@@H](O)c2ccsc2)CC1 ZINC000088727821 700380817 /nfs/dbraw/zinc/38/08/17/700380817.db2.gz NMCKBZJJFZAKOB-HXUWFJFHSA-N 2 0 359.539 3.103 20 0 FGADRP C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000180166833 705730785 /nfs/dbraw/zinc/73/07/85/705730785.db2.gz CBBMNHDRHSRPEG-YJBOKZPZSA-N 2 0 351.535 3.096 20 0 FGADRP CC[NH+]1CCC(CC[NH2+][C@@H]2CCC[C@@H]2CNC(=O)OC(C)(C)C)CC1 ZINC000180642354 705751103 /nfs/dbraw/zinc/75/11/03/705751103.db2.gz GOBGOPMNAXIZPK-QZTJIDSGSA-N 2 0 353.551 3.391 20 0 FGADRP O[C@H](C[NH+]1CCC(CCC[NH+]2CCOCC2)CC1)c1ccc(Cl)cc1 ZINC000182980460 705871881 /nfs/dbraw/zinc/87/18/81/705871881.db2.gz FGOWPUYZOJXUPZ-HXUWFJFHSA-N 2 0 366.933 3.198 20 0 FGADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1ccc(SC(F)(F)F)cc1 ZINC000185869653 712703897 /nfs/dbraw/zinc/70/38/97/712703897.db2.gz KHTPMJVLOJWLCA-CQSZACIVSA-N 2 0 361.477 3.414 20 0 FGADRP O[C@H](COCc1ccccc1Cl)C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000193080808 712881663 /nfs/dbraw/zinc/88/16/63/712881663.db2.gz AQWHYEVNBHIQCW-IBGZPJMESA-N 2 0 366.933 3.025 20 0 FGADRP C[NH2+]CCC1CC[NH+]([C@H](C)C(=O)Nc2ccccc2C(F)(F)F)CC1 ZINC000262002081 713717121 /nfs/dbraw/zinc/71/71/21/713717121.db2.gz QCQQDYFXGMLXMW-CYBMUJFWSA-N 2 0 357.420 3.354 20 0 FGADRP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]CCC(=O)N[C@H](c1cccs1)c1ccccc1 ZINC000641805849 717930979 /nfs/dbraw/zinc/93/09/79/717930979.db2.gz OWSZCINGWVJHGX-AOIWGVFYSA-N 2 0 357.523 3.059 20 0 FGADRP CO[C@H](C[N@@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1)c1ccc(Cl)cc1 ZINC000374783612 713943579 /nfs/dbraw/zinc/94/35/79/713943579.db2.gz WUURDEDCHYYZGR-WOJBJXKFSA-N 2 0 365.949 3.128 20 0 FGADRP CO[C@H](C[N@@H+]1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1)c1ccc(Cl)cc1 ZINC000374917224 713953338 /nfs/dbraw/zinc/95/33/38/713953338.db2.gz RDDOSCTYGRCZFJ-OXJNMPFZSA-N 2 0 365.949 3.128 20 0 FGADRP CC[NH+]1CCC(C[NH2+][C@@H]2CCCC[C@H]2CNC(=O)OC(C)(C)C)CC1 ZINC000384457589 713982147 /nfs/dbraw/zinc/98/21/47/713982147.db2.gz ZZEVZDAEWPWFAD-ZWKOTPCHSA-N 2 0 353.551 3.391 20 0 FGADRP O=C(CC[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2)Nc1c(Cl)cccc1Cl ZINC000517567628 714136787 /nfs/dbraw/zinc/13/67/87/714136787.db2.gz VQZNXUKPXPPHAA-KRWDZBQOSA-N 2 0 356.297 3.398 20 0 FGADRP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)C1 ZINC000522604695 714195041 /nfs/dbraw/zinc/19/50/41/714195041.db2.gz UHWJKZPSLGRZTO-KURKYZTESA-N 2 0 354.583 3.020 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N1CCC[C@@H](C[NH3+])C1)c1ccccc1Cl ZINC000577831377 714470072 /nfs/dbraw/zinc/47/00/72/714470072.db2.gz CUCQVQJXSNGEQV-MAUKXSAKSA-N 2 0 366.937 3.103 20 0 FGADRP CC[C@H]1c2ccsc2CCN1C(=O)C[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000615464110 714529615 /nfs/dbraw/zinc/52/96/15/714529615.db2.gz LJUSWDIYGWRIJW-SFHVURJKSA-N 2 0 363.571 3.248 20 0 FGADRP CC[NH+](CC)CCCNC(=O)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000615612417 714539109 /nfs/dbraw/zinc/53/91/09/714539109.db2.gz OPFXEJZZHTUXPL-UHFFFAOYSA-N 2 0 352.567 3.016 20 0 FGADRP C[NH+](C)[C@H](CNC(=O)N1CCC[N@@H+](C(C)(C)C)CC1)C1CCCCC1 ZINC000621701143 715019499 /nfs/dbraw/zinc/01/94/99/715019499.db2.gz FYWMUYHWAPGPBC-GOSISDBHSA-N 2 0 352.567 3.013 20 0 FGADRP CC1(C)CC(NC(=O)NC[C@H]2CC[N@@H+]2C2CCCCC2)CC(C)(C)[NH2+]1 ZINC000623393310 715325640 /nfs/dbraw/zinc/32/56/40/715325640.db2.gz FLBSGJIXKRCWCN-QGZVFWFLSA-N 2 0 350.551 3.002 20 0 FGADRP C[N@@H+]1CC[C@H]([NH2+]C[C@@H](CO)Cc2cccc(Br)c2)CC1(C)C ZINC000623507477 715350362 /nfs/dbraw/zinc/35/03/62/715350362.db2.gz MCRGLSRDUPPHBQ-RDJZCZTQSA-N 2 0 369.347 3.063 20 0 FGADRP C[C@@H]([NH2+]C[C@H](C)CN1CC[NH+](C)CC1)c1ccc(F)cc1C(F)(F)F ZINC000623886619 715424156 /nfs/dbraw/zinc/42/41/56/715424156.db2.gz HBPDZZYWMLRDMH-UONOGXRCSA-N 2 0 361.427 3.379 20 0 FGADRP C[C@@H](C[NH2+][C@@H](C)c1ccc(F)cc1C(F)(F)F)CN1CC[NH+](C)CC1 ZINC000623886617 715424321 /nfs/dbraw/zinc/42/43/21/715424321.db2.gz HBPDZZYWMLRDMH-KBPBESRZSA-N 2 0 361.427 3.379 20 0 FGADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@H]1CCCc2c3cc(Cl)ccc3[nH]c21 ZINC000623889921 715425597 /nfs/dbraw/zinc/42/55/97/715425597.db2.gz ZMPOLKIJMZLKGG-LIRRHRJNSA-N 2 0 360.933 3.424 20 0 FGADRP CCCC[N@H+](C)CC1CC[NH+](CC2CN(C(=O)OC(C)(C)C)C2)CC1 ZINC000779473264 724415722 /nfs/dbraw/zinc/41/57/22/724415722.db2.gz AZFVWFVNXLOKOL-UHFFFAOYSA-N 2 0 353.551 3.297 20 0 FGADRP C[NH+](C)C[C@H](NC(=O)NC1(C)CC[NH2+]CC1)c1ccc(Cl)c(Cl)c1 ZINC000627220067 716009284 /nfs/dbraw/zinc/00/92/84/716009284.db2.gz KLBRVRCTKKPTHF-HNNXBMFYSA-N 2 0 373.328 3.037 20 0 FGADRP CC(C)[C@H](C[NH2+]CCc1cccc(C(F)(F)F)c1)N1CC[NH+](C)CC1 ZINC000628201580 716124362 /nfs/dbraw/zinc/12/43/62/716124362.db2.gz MBKPPAHBNIAIOJ-SFHVURJKSA-N 2 0 357.464 3.110 20 0 FGADRP [NH3+]CCCOCC[NH2+][C@@H](c1ccccc1)c1cccc(Br)c1 ZINC000629535768 716304293 /nfs/dbraw/zinc/30/42/93/716304293.db2.gz FUPOYQOPDXNLTE-SFHVURJKSA-N 2 0 363.299 3.494 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC2([C@@H]3CCCCO3)CCC2)[C@@H](C)C1 ZINC000631732081 716670039 /nfs/dbraw/zinc/67/00/39/716670039.db2.gz VNABYXDPGZFTEE-UFYCRDLUSA-N 2 0 352.563 3.452 20 0 FGADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]CCc1c2ccccc2[nH]c1C(F)(F)F ZINC000635020843 717140262 /nfs/dbraw/zinc/14/02/62/717140262.db2.gz MPUVVJYOUOMKAR-NILFDRSVSA-N 2 0 355.404 3.071 20 0 FGADRP CCC[N@H+](C)[C@@H](CNC(=O)C[C@@H]1CC[NH+](C)C1)c1ccc(Cl)cc1 ZINC000635914922 717209601 /nfs/dbraw/zinc/20/96/01/717209601.db2.gz QRXAYPQEOLHRKW-YJBOKZPZSA-N 2 0 351.922 3.181 20 0 FGADRP CC[N@H+](CCC1CC[NH+](C[C@@H](OC)C2CCOCC2)CC1)CC1CC1 ZINC000638274195 717429866 /nfs/dbraw/zinc/42/98/66/717429866.db2.gz GRSNNOUNJXVLSD-OAQYLSRUSA-N 2 0 352.563 3.262 20 0 FGADRP CCN1CC[NH+](CCCC[NH2+]Cc2cc(Cl)cc(Cl)c2N)CC1 ZINC000638359470 717439136 /nfs/dbraw/zinc/43/91/36/717439136.db2.gz AGQUFNRCFRSJHK-UHFFFAOYSA-N 2 0 359.345 3.083 20 0 FGADRP CCC[NH+]1CCC(C[NH2+]Cc2snc(OC)c2Br)CC1 ZINC000638562756 717466098 /nfs/dbraw/zinc/46/60/98/717466098.db2.gz BLKZKEAOEIFUEI-UHFFFAOYSA-N 2 0 362.337 3.126 20 0 FGADRP C[NH+](C)C[C@@H](NC(=O)[C@H]1CC12CC[NH2+]CC2)c1ccc(Cl)c(Cl)c1 ZINC000638665072 717474020 /nfs/dbraw/zinc/47/40/20/717474020.db2.gz ZKISEQMKCDMAKS-CZUORRHYSA-N 2 0 370.324 3.102 20 0 FGADRP CC(C)(O)C[NH+]1CCC([NH2+]C2CC(F)(c3cccc(Cl)c3)C2)CC1 ZINC000639128878 717519632 /nfs/dbraw/zinc/51/96/32/717519632.db2.gz MOUHKZPDNBHGOL-UHFFFAOYSA-N 2 0 354.897 3.492 20 0 FGADRP Cc1scc(C[NH+]2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)c1C ZINC000639169270 717526973 /nfs/dbraw/zinc/52/69/73/717526973.db2.gz JHLYNFSPPJGRLV-UHFFFAOYSA-N 2 0 363.571 3.179 20 0 FGADRP COc1nsc(C[NH2+]CC2CC[NH+](CC3CC3)CC2)c1Br ZINC000639335869 717545340 /nfs/dbraw/zinc/54/53/40/717545340.db2.gz YKQWJMMQKOSSPC-UHFFFAOYSA-N 2 0 374.348 3.126 20 0 FGADRP OC[C@@H]1C[N@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C[C@H]1C(F)(F)F ZINC000640045975 717653061 /nfs/dbraw/zinc/65/30/61/717653061.db2.gz PPBQOLYUYDQQRQ-ZWKOTPCHSA-N 2 0 356.432 3.275 20 0 FGADRP Cc1cc(Cl)cc(C[NH2+]Cc2ccc(C(=O)NCC[NH+](C)C)cc2)c1 ZINC000645158729 718188225 /nfs/dbraw/zinc/18/82/25/718188225.db2.gz XYZIBQYOKAYKEZ-UHFFFAOYSA-N 2 0 359.901 3.230 20 0 FGADRP C[NH2+][C@@H](CC(C)(C)C)C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000645804251 718242706 /nfs/dbraw/zinc/24/27/06/718242706.db2.gz LIVQWVYRWFPXFJ-SFHVURJKSA-N 2 0 363.571 3.241 20 0 FGADRP C[C@@H]([NH2+][C@@H](CCO)c1cccc(OC(F)(F)F)c1)C1CC[NH+](C)CC1 ZINC000647330124 718349771 /nfs/dbraw/zinc/34/97/71/718349771.db2.gz CVTXXINSVINTDL-DYVFJYSZSA-N 2 0 360.420 3.329 20 0 FGADRP CN1CC[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000647793840 718377993 /nfs/dbraw/zinc/37/79/93/718377993.db2.gz JPTSKNCSYUPOOC-IHYABNQOSA-N 2 0 351.897 3.202 20 0 FGADRP c1ccc2sc(N3CCC([NH2+][C@@H]4CC[C@H]5C[NH2+]C[C@H]5C4)CC3)nc2c1 ZINC000647792323 718378013 /nfs/dbraw/zinc/37/80/13/718378013.db2.gz ZEZUJOMCGOGGDR-ZMSDIMECSA-N 2 0 356.539 3.243 20 0 FGADRP COc1ccc(Cl)cc1NC(=O)CC[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647901194 718385107 /nfs/dbraw/zinc/38/51/07/718385107.db2.gz KQFAPMRUPNOASB-ZBFHGGJFSA-N 2 0 365.905 3.141 20 0 FGADRP CSc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000647975971 718391063 /nfs/dbraw/zinc/39/10/63/718391063.db2.gz IHRCCDNWSIBMBO-GVDBMIGSSA-N 2 0 361.555 3.447 20 0 FGADRP CSc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cc1 ZINC000647975973 718391315 /nfs/dbraw/zinc/39/13/15/718391315.db2.gz IHRCCDNWSIBMBO-YESZJQIVSA-N 2 0 361.555 3.447 20 0 FGADRP O=C1[C@H]([N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)CCN1c1ccccc1Cl ZINC000647978026 718391738 /nfs/dbraw/zinc/39/17/38/718391738.db2.gz LKOBNKKKGVHGOP-FRQCXROJSA-N 2 0 361.917 3.157 20 0 FGADRP COc1ccc(Br)cc1C1([NH2+]CCC2CC[NH2+]CC2)CC1 ZINC000647995189 718393226 /nfs/dbraw/zinc/39/32/26/718393226.db2.gz DCXCOLBTFUHCDT-UHFFFAOYSA-N 2 0 353.304 3.426 20 0 FGADRP C[N@@H+]1CC[C@@H](CNC(=O)CCC(C)(C)[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000648161495 718402125 /nfs/dbraw/zinc/40/21/25/718402125.db2.gz CPAKHHZFZBHXEY-SUMWQHHRSA-N 2 0 355.885 3.106 20 0 FGADRP C[NH+](C)[C@@H](CNC(=O)[C@H]([NH3+])c1cccc(Cl)c1)c1ccc(Cl)cc1 ZINC000649346440 718506076 /nfs/dbraw/zinc/50/60/76/718506076.db2.gz HUKXFXQQNANIOY-DLBZAZTESA-N 2 0 366.292 3.412 20 0 FGADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@H+](Cc3cc(Br)cs3)C2)C1 ZINC000650705268 718716425 /nfs/dbraw/zinc/71/64/25/718716425.db2.gz ASOBALZSUJJYDI-LNSITVRQSA-N 2 0 359.333 3.229 20 0 FGADRP COc1cc(C[N@@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)ccc1SC ZINC000650706487 718716728 /nfs/dbraw/zinc/71/67/28/718716728.db2.gz LVQACFBLPCTRSF-YESZJQIVSA-N 2 0 350.528 3.135 20 0 FGADRP CCOc1cc(C[NH2+]CCC2(C[NH3+])CC2)cc(Br)c1OC ZINC000650712270 718718593 /nfs/dbraw/zinc/71/85/93/718718593.db2.gz YLJMBTDLMMPYST-UHFFFAOYSA-N 2 0 357.292 3.075 20 0 FGADRP CC(C)[C@@H](C[NH2+][C@@H]1CCc2ccc(F)c(Cl)c21)N1CC[NH+](C)CC1 ZINC000651674590 718849706 /nfs/dbraw/zinc/84/97/06/718849706.db2.gz WFHVMPRJEPSMJV-IAGOWNOFSA-N 2 0 353.913 3.328 20 0 FGADRP C[N@@H+]1CC[C@H](CNC(=O)C[C@@H]2CCC[C@H]2[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000653154455 719018611 /nfs/dbraw/zinc/01/86/11/719018611.db2.gz RZPSXRZHDUPRCP-SAYTVZCPSA-N 2 0 367.896 3.106 20 0 FGADRP O=C(Nc1ccc(SCC[NH+]2CCCC2)cc1)[C@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000653253187 719030802 /nfs/dbraw/zinc/03/08/02/719030802.db2.gz KGQKOTFAIXUMEB-RTBURBONSA-N 2 0 359.539 3.344 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)[C@H]1C[C@]12CCC[NH2+]C2)c1ccccc1Cl ZINC000655442477 719293543 /nfs/dbraw/zinc/29/35/43/719293543.db2.gz QXYGBOONXOQASB-POAQFYNOSA-N 2 0 363.933 3.229 20 0 FGADRP Cc1nn(-c2ccccc2Cl)cc1C[NH2+]CCCC[NH+]1CCOCC1 ZINC000655710487 719328510 /nfs/dbraw/zinc/32/85/10/719328510.db2.gz BWOBVKBZJLYCJJ-UHFFFAOYSA-N 2 0 362.905 3.036 20 0 FGADRP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+]Cc1cnc(-c2ccccc2F)s1 ZINC000657572789 719677067 /nfs/dbraw/zinc/67/70/67/719677067.db2.gz GJVYLAKCHCQVAI-HNNXBMFYSA-N 2 0 364.534 3.311 20 0 FGADRP Cn1ncc(Cl)c1CNC[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000657773895 719710107 /nfs/dbraw/zinc/71/01/07/719710107.db2.gz VSAQLMDXJRJSPH-KRWDZBQOSA-N 2 0 358.917 3.465 20 0 FGADRP COc1ccc([C@H](C)[NH2+]CC2CC[NH+](C3CCOCC3)CC2)cc1F ZINC000658070552 719751722 /nfs/dbraw/zinc/75/17/22/719751722.db2.gz XWOHOZCYTDQKOC-HNNXBMFYSA-N 2 0 350.478 3.376 20 0 FGADRP [NH3+]C1(CNC(=O)Nc2ccc(SCC[NH+]3CCCC3)cc2)CCCC1 ZINC000659024836 719851333 /nfs/dbraw/zinc/85/13/33/719851333.db2.gz LAZSWTPFPQIDRJ-UHFFFAOYSA-N 2 0 362.543 3.268 20 0 FGADRP CC(C)[C@H]([NH3+])CCNC(=O)N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000659622766 719929947 /nfs/dbraw/zinc/92/99/47/719929947.db2.gz VFJOKSZOBNSJRV-IEBWSBKVSA-N 2 0 352.567 3.046 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1)c1ccsc1 ZINC000660338743 720032970 /nfs/dbraw/zinc/03/29/70/720032970.db2.gz LWZJAZDUXPHLBE-SJORKVTESA-N 2 0 366.575 3.303 20 0 FGADRP CC[C@@H](C)[N@H+](CC)CC(=O)Nc1nc(CN2CCC(C)CC2)cs1 ZINC000661104220 720188628 /nfs/dbraw/zinc/18/86/28/720188628.db2.gz JVGGDQRLYROOTO-OAHLLOKOSA-N 2 0 352.548 3.434 20 0 FGADRP CSc1cccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)c1 ZINC000662296751 720411450 /nfs/dbraw/zinc/41/14/50/720411450.db2.gz MZAGOSIEMHYJTM-WBVHZDCISA-N 2 0 361.555 3.447 20 0 FGADRP C[C@H](C(=O)Nc1ccc(F)cc1F)[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662296471 720411548 /nfs/dbraw/zinc/41/15/48/720411548.db2.gz KYBZGSMCXYKUOV-HIFRSBDPSA-N 2 0 351.441 3.003 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)c1cc2c(s1)CC[NH2+]C2)c1ccccc1 ZINC000662347498 720417534 /nfs/dbraw/zinc/41/75/34/720417534.db2.gz GJXFTHCXNLZRKY-KRWDZBQOSA-N 2 0 357.523 3.207 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)C[NH2+]C(C)C)c1ccc(C(F)(F)F)cc1 ZINC000662413292 720426135 /nfs/dbraw/zinc/42/61/35/720426135.db2.gz WVCMEKCXZYCESQ-INIZCTEOSA-N 2 0 359.436 3.203 20 0 FGADRP C[NH+](C)C[C@@H](NC(=O)c1cc2c(s1)CC[NH2+]C2)c1ccc(Cl)cc1 ZINC000662529893 720438745 /nfs/dbraw/zinc/43/87/45/720438745.db2.gz FJGDVSPVKONOFS-OAHLLOKOSA-N 2 0 363.914 3.080 20 0 FGADRP CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000663452498 720516622 /nfs/dbraw/zinc/51/66/22/720516622.db2.gz ZKICJIRBHGCYOU-HZPDHXFCSA-N 2 0 364.559 3.057 20 0 FGADRP C[NH2+]CCCC(=O)N1CCC([NH2+][C@H](C)c2ccc(F)c(Cl)c2)CC1 ZINC000665285101 720750103 /nfs/dbraw/zinc/75/01/03/720750103.db2.gz CNAHSQDXDUNBLC-CYBMUJFWSA-N 2 0 355.885 3.120 20 0 FGADRP CCOc1c(Br)cc(C[NH2+][C@@H]2CC23CC[NH2+]CC3)cc1OC ZINC000666952408 721004640 /nfs/dbraw/zinc/00/46/40/721004640.db2.gz VLPDXNHVZFXYIQ-OAHLLOKOSA-N 2 0 369.303 3.088 20 0 FGADRP C[C@@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+][C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000666995500 721010685 /nfs/dbraw/zinc/01/06/85/721010685.db2.gz PIHRXCLRPWKALL-DOTOQJQBSA-N 2 0 363.933 3.341 20 0 FGADRP COc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+][C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000666995782 721010913 /nfs/dbraw/zinc/01/09/13/721010913.db2.gz ZWXFVGDIKSNZHR-UKRRQHHQSA-N 2 0 365.905 3.330 20 0 FGADRP CC1CC[NH+]([C@H](CNC(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)c2cccs2)CC1 ZINC000668644668 721325467 /nfs/dbraw/zinc/32/54/67/721325467.db2.gz GATPDDQMSWQAAN-BRWVUGGUSA-N 2 0 364.559 3.090 20 0 FGADRP C[NH+](C)C[C@H](NC(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1)c1ccc(Cl)cc1 ZINC000670133762 721518986 /nfs/dbraw/zinc/51/89/86/721518986.db2.gz IURRZIGPFKMMQL-SQNIBIBYSA-N 2 0 366.937 3.115 20 0 FGADRP CCC[N@H+](C)[C@H](CNC(=O)[C@H]1CCCC[NH+]1C)c1ccc(Cl)cc1 ZINC000672053239 721620032 /nfs/dbraw/zinc/62/00/32/721620032.db2.gz YICHWCPHQRBGAI-QZTJIDSGSA-N 2 0 351.922 3.323 20 0 FGADRP COc1cc(OC)c([C@@H](C)[NH2+]CC(C)(C)N2CC[NH+](C)CC2)cc1Cl ZINC000675741280 721771506 /nfs/dbraw/zinc/77/15/06/721771506.db2.gz APJVQIPWLFEBOF-CQSZACIVSA-N 2 0 369.937 3.034 20 0 FGADRP CN(C)c1cccc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)[nH+]1 ZINC001165022096 721802751 /nfs/dbraw/zinc/80/27/51/721802751.db2.gz HVJMVHOHKZHALM-IHPCNDPISA-N 2 0 365.525 3.280 20 0 FGADRP C[N@H+](Cc1ccc(C(F)(F)F)cc1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000677801609 721916504 /nfs/dbraw/zinc/91/65/04/721916504.db2.gz XKBSDTHIRSXOIO-SFHVURJKSA-N 2 0 355.448 3.306 20 0 FGADRP c1cc(OCC[NH+]2CCCC2)nc(N2CCCC[C@H]2CC[NH+]2CCCC2)c1 ZINC001165049821 721974140 /nfs/dbraw/zinc/97/41/40/721974140.db2.gz SAQCDAIKEXHLBY-FQEVSTJZSA-N 2 0 372.557 3.401 20 0 FGADRP C[NH+]1CCN(C(C)(C)C[NH2+][C@@H]2CCCOc3cc(Cl)ccc32)CC1 ZINC000678766598 721977179 /nfs/dbraw/zinc/97/71/79/721977179.db2.gz NRSQNZGTBRHUFY-QGZVFWFLSA-N 2 0 351.922 3.169 20 0 FGADRP C[NH+]1CCN(CCC(C)(C)[NH2+]Cc2nc(-c3ccccc3)cs2)CC1 ZINC000681136315 722183744 /nfs/dbraw/zinc/18/37/44/722183744.db2.gz OEYBPCBNTHVZKS-UHFFFAOYSA-N 2 0 358.555 3.316 20 0 FGADRP CO[C@]1(C(F)(F)F)CCC[N@H+](Cc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000682166417 722239931 /nfs/dbraw/zinc/23/99/31/722239931.db2.gz GXVQSXVEENCIEX-QGZVFWFLSA-N 2 0 360.420 3.170 20 0 FGADRP COc1ccc(C[N@@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)cc1OC(F)F ZINC000685463066 722386144 /nfs/dbraw/zinc/38/61/44/722386144.db2.gz BFDHIKWCLGFPNS-INIZCTEOSA-N 2 0 354.441 3.460 20 0 FGADRP Brc1cnc(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)s1 ZINC000714946508 722415602 /nfs/dbraw/zinc/41/56/02/722415602.db2.gz PQIRXQQAJSCDQZ-UHFFFAOYSA-N 2 0 353.289 3.059 20 0 FGADRP C[NH+](C)C1(C)CCC([NH2+]CC2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000715583853 722415945 /nfs/dbraw/zinc/41/59/45/722415945.db2.gz LZHXDEZLEMWSRI-UHFFFAOYSA-N 2 0 353.551 3.486 20 0 FGADRP O=S(=O)(CC[NH+](C1CC1)C1CCCC1)CC[N@H+](C1CC1)C1CCCC1 ZINC000728912195 722455427 /nfs/dbraw/zinc/45/54/27/722455427.db2.gz PWRGQJRXAXMIGN-UHFFFAOYSA-N 2 0 368.587 3.215 20 0 FGADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC[C@H](C)[NH+]2CCCCC2)C1 ZINC000732448583 722484916 /nfs/dbraw/zinc/48/49/16/722484916.db2.gz GUHMTNYLRSQEHF-ZWKOTPCHSA-N 2 0 352.567 3.061 20 0 FGADRP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)NCCCCCCC[NH+]1CCCC1 ZINC000747955208 722669397 /nfs/dbraw/zinc/66/93/97/722669397.db2.gz ORYGAQZVEOAEJW-IBGZPJMESA-N 2 0 352.567 3.014 20 0 FGADRP CCc1ccccc1NC(=S)N(CC[NH+](C)C)C[C@@H]1CCC[N@H+]1CC ZINC000751011840 722790563 /nfs/dbraw/zinc/79/05/63/722790563.db2.gz PGLLPCYBWXZWKX-SFHVURJKSA-N 2 0 362.587 3.294 20 0 FGADRP CC[C@@H]1C[N@H+](CC[C@@H]2CCCC[NH+]2C)CC[C@H]1NC(=O)OC(C)(C)C ZINC000757107191 722974617 /nfs/dbraw/zinc/97/46/17/722974617.db2.gz TZJKSYZRQHIOSH-FGTMMUONSA-N 2 0 353.551 3.486 20 0 FGADRP C[NH+]1CCC(CNC(=S)Nc2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC000760477420 723058519 /nfs/dbraw/zinc/05/85/19/723058519.db2.gz YYOVYVFDDIOVHT-UHFFFAOYSA-N 2 0 360.571 3.301 20 0 FGADRP C[NH+](C)CCOc1ccc(C[NH2+][C@@H]2CC[C@@H]3SCCS[C@H]23)cc1 ZINC000762612088 723262089 /nfs/dbraw/zinc/26/20/89/723262089.db2.gz CMFVKYOCUYGVGY-FGTMMUONSA-N 2 0 352.569 3.096 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)C[C@H](O)c2cccs2)[C@H](C)C1 ZINC000763412000 723341295 /nfs/dbraw/zinc/34/12/95/723341295.db2.gz CMZMTCQOMDMVAM-BDXSIMOUSA-N 2 0 354.560 3.287 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](CCNC(=O)OC(C)(C)C)CC1 ZINC000763432428 723342922 /nfs/dbraw/zinc/34/29/22/723342922.db2.gz KLNRICYAOHOJPK-QGZVFWFLSA-N 2 0 353.551 3.488 20 0 FGADRP O[C@H](C[NH2+][C@@H]1CCC[C@H]1c1ccccc1C(F)(F)F)C[NH+]1CCCC1 ZINC000768094603 723646858 /nfs/dbraw/zinc/64/68/58/723646858.db2.gz ATBSMMMDUVCKOP-UWWQBHOKSA-N 2 0 356.432 3.388 20 0 FGADRP C[N@@H+]1CC[C@H]([NH2+]CCCN(C(=O)OC(C)(C)C)C2CC2)[C@H]2CCC[C@H]21 ZINC000796748411 723653214 /nfs/dbraw/zinc/65/32/14/723653214.db2.gz LCWZVORPUABLAU-FGTMMUONSA-N 2 0 351.535 3.238 20 0 FGADRP COc1c(C)cc([C@@H](C)[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)cc1Cl ZINC000796982310 723662321 /nfs/dbraw/zinc/66/23/21/723662321.db2.gz IJPPPGORHCPHRR-OAHLLOKOSA-N 2 0 353.938 3.334 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@H](O)c2ccc(Cl)c(F)c2)[C@H](C)C1 ZINC000773135267 723777432 /nfs/dbraw/zinc/77/74/32/723777432.db2.gz CEMVJKBMASJGOI-MDASCCDHSA-N 2 0 372.912 3.239 20 0 FGADRP CC(C)[NH+]1CCC([N@H+](C)C[C@@]2(C)CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000798942480 723977464 /nfs/dbraw/zinc/97/74/64/723977464.db2.gz LZYDLQHTSJCYLI-HXUWFJFHSA-N 2 0 353.551 3.438 20 0 FGADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@]2(C)CCN(C(=O)OC(C)(C)C)C2)C[C@H]1C ZINC000798943776 723977569 /nfs/dbraw/zinc/97/75/69/723977569.db2.gz BDNFKYBFGFZKCI-UWVAXJGDSA-N 2 0 353.551 3.438 20 0 FGADRP C[C@@H](C[NH+]1CCC(CCC[NH+]2CCCC2)CC1)NC(=O)OC(C)(C)C ZINC000785479222 724915377 /nfs/dbraw/zinc/91/53/77/724915377.db2.gz FMNHOLMFJBMGDZ-KRWDZBQOSA-N 2 0 353.551 3.488 20 0 FGADRP CCC[NH+]1CCC([NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)CC[C@H]2C)CC1 ZINC000788500384 725068328 /nfs/dbraw/zinc/06/83/28/725068328.db2.gz BWCIRQPEUIVSTI-SJLPKXTDSA-N 2 0 353.551 3.486 20 0 FGADRP CN(C)Cc1cnc(CN2CCC(C[NH+]3CCCCCC3)CC2)s1 ZINC000809545879 725246374 /nfs/dbraw/zinc/24/63/74/725246374.db2.gz SMCGREYUSYUZSE-UHFFFAOYSA-N 2 0 350.576 3.293 20 0 FGADRP C[C@H]1C[C@H](C)C[NH+](CCCC[NH2+]Cc2cnc(C3OCCO3)s2)C1 ZINC000809606290 725251793 /nfs/dbraw/zinc/25/17/93/725251793.db2.gz OUFWAZOURAGZHO-GJZGRUSLSA-N 2 0 353.532 3.036 20 0 FGADRP C[C@@H]1C[N@@H+]([C@@H]2CC[NH+]3CCC[C@@H]3C2)C[C@@]1(C)CNC(=O)OC(C)(C)C ZINC000810247739 725299689 /nfs/dbraw/zinc/29/96/89/725299689.db2.gz WKYCIAAFVXMNNO-WOCWXWTJSA-N 2 0 351.535 3.096 20 0 FGADRP CSC1(C[NH2+][C@H](C)C[C@H](C)NC(=O)OC(C)(C)C)CC[NH+](C)CC1 ZINC000810253069 725300090 /nfs/dbraw/zinc/30/00/90/725300090.db2.gz ZCEBJJUBTUXSSZ-CABCVRRESA-N 2 0 359.580 3.095 20 0 FGADRP CC[C@H](C)[NH2+][C@@H](CNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1)c1ccco1 ZINC000811525719 725372582 /nfs/dbraw/zinc/37/25/82/725372582.db2.gz XXCYLRUMLVROAB-DOXZYTNZSA-N 2 0 353.482 3.038 20 0 FGADRP CCC[N@H+](CC)C[C@H](C)NC(=O)NC1CCC([NH+]2CCCCC2)CC1 ZINC000812122603 725389080 /nfs/dbraw/zinc/38/90/80/725389080.db2.gz KBOQZVXKLAPQEP-VIQWUECVSA-N 2 0 352.567 3.203 20 0 FGADRP CC1CC([NH2+]C2CCC([NH+]3CCN(C(=O)OC(C)(C)C)CC3)CC2)C1 ZINC000812745060 726807656 /nfs/dbraw/zinc/80/76/56/726807656.db2.gz PNAANHODLKRMBX-UHFFFAOYSA-N 2 0 351.535 3.238 20 0 FGADRP O[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)c1cccc(Br)c1 ZINC000817929066 727288090 /nfs/dbraw/zinc/28/80/90/727288090.db2.gz IRYOYQPKXHZISM-BRSBDYLESA-N 2 0 367.331 3.383 20 0 FGADRP O[C@@H](C[NH2+]C1CCC([NH+]2CCCCC2)CC1)COc1ccccc1Cl ZINC000819139709 727351670 /nfs/dbraw/zinc/35/16/70/727351670.db2.gz HRZBHLLVTRLZFX-ABHNRTSZSA-N 2 0 366.933 3.466 20 0 FGADRP CC(C)C[N@@H+]1CC[C@@H](C[NH2+]C[C@@H](O)c2cccc(Br)c2)C1 ZINC000819151962 727352874 /nfs/dbraw/zinc/35/28/74/727352874.db2.gz IXFFHESQJFSWBZ-WMLDXEAASA-N 2 0 355.320 3.050 20 0 FGADRP CC(C)C[N@@H+]1CC[C@@H](C[NH2+]C[C@@H](O)c2ccccc2Br)C1 ZINC000819152584 727352971 /nfs/dbraw/zinc/35/29/71/727352971.db2.gz XFMZTLPYYUSROV-WMLDXEAASA-N 2 0 355.320 3.050 20 0 FGADRP CC(C)C[N@@H+]1CC[C@H](C[NH2+]C[C@@H](O)c2ccccc2Br)C1 ZINC000819152583 727352986 /nfs/dbraw/zinc/35/29/86/727352986.db2.gz XFMZTLPYYUSROV-RHSMWYFYSA-N 2 0 355.320 3.050 20 0 FGADRP C[C@@H](CC[NH2+]C[C@H](O)c1ccc(F)c(Br)c1)[NH+]1CCCCC1 ZINC000819231249 727360177 /nfs/dbraw/zinc/36/01/77/727360177.db2.gz RRCFKNJYVCZWIB-GUYCJALGSA-N 2 0 373.310 3.476 20 0 FGADRP C[C@H]1CC[C@@H]([NH2+]C2CC[NH+](CC3CC3)CC2)CN1C(=O)OC(C)(C)C ZINC000822451874 729176560 /nfs/dbraw/zinc/17/65/60/729176560.db2.gz RHZUYCRGODZUTL-MAUKXSAKSA-N 2 0 351.535 3.238 20 0 FGADRP C[C@H]1C[C@H](C[NH+]2CCC(C[NH+](C)C)CC2)CCN1C(=O)OC(C)(C)C ZINC000823399828 729276218 /nfs/dbraw/zinc/27/62/18/729276218.db2.gz SUTAYJVTIAWBIW-FUHWJXTLSA-N 2 0 353.551 3.296 20 0 FGADRP C[C@H]1C[C@@H](C[NH+]2CCC(C[NH+](C)C)CC2)CCN1C(=O)OC(C)(C)C ZINC000823399830 729276330 /nfs/dbraw/zinc/27/63/30/729276330.db2.gz SUTAYJVTIAWBIW-WMZOPIPTSA-N 2 0 353.551 3.296 20 0 FGADRP C[N@H+](CC[C@@H]1CCCC[NH+]1C)C[C@]12C[C@H]1CN(C(=O)OC(C)(C)C)C2 ZINC000823465427 729283221 /nfs/dbraw/zinc/28/32/21/729283221.db2.gz YBXSPPPMZBIYIN-ZWOKBUDYSA-N 2 0 351.535 3.050 20 0 FGADRP C[C@@H]1C[C@H](C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CCN1C(=O)OC(C)(C)C ZINC000823666704 729297323 /nfs/dbraw/zinc/29/73/23/729297323.db2.gz QNVZJOAHEQMZCN-BRSBDYLESA-N 2 0 351.535 3.238 20 0 FGADRP CC(C)[C@@H](CNC(=O)OC(C)(C)C)C[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000824439675 729338489 /nfs/dbraw/zinc/33/84/89/729338489.db2.gz PRPVXSFMTGZPIJ-FXAWDEMLSA-N 2 0 353.551 3.201 20 0 FGADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@H](C)[C@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000834566638 729814930 /nfs/dbraw/zinc/81/49/30/729814930.db2.gz PTLVZAFTUVTONT-KZNAEPCWSA-N 2 0 353.551 3.484 20 0 FGADRP Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@H]2[NH2+]CCCCCC[NH3+])cc1 ZINC000843341998 730609114 /nfs/dbraw/zinc/60/91/14/730609114.db2.gz MMHVGKUWGZSNGU-RTBURBONSA-N 2 0 352.544 3.189 20 0 FGADRP O=C1[C@H]([N@@H+]2CCC3(C2)CC[NH2+]CC3)CCN1c1ccc(Cl)c(Cl)c1 ZINC000843364724 730610768 /nfs/dbraw/zinc/61/07/68/730610768.db2.gz NGRHKXUSPAMSET-MRXNPFEDSA-N 2 0 368.308 3.174 20 0 FGADRP C[C@H](NC(=O)C[N@@H+]1CCC2(C1)CC[NH2+]CC2)c1ccc(Cl)c(Cl)c1 ZINC000843363854 730611038 /nfs/dbraw/zinc/61/10/38/730611038.db2.gz FPNYKXXYNOZDQT-ZDUSSCGKSA-N 2 0 370.324 3.246 20 0 FGADRP [NH2+]=C(NCc1ccc(Cl)nc1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000849054171 731224709 /nfs/dbraw/zinc/22/47/09/731224709.db2.gz NREMEJYAVRFXJW-UHFFFAOYSA-N 2 0 357.889 3.014 20 0 FGADRP C[C@@H](CNC(=[NH2+])NC1CC[NH+](Cc2ccccc2)CC1)c1nccs1 ZINC000849081740 731227018 /nfs/dbraw/zinc/22/70/18/731227018.db2.gz BKHMKSJSQPHYFM-HNNXBMFYSA-N 2 0 357.527 3.025 20 0 FGADRP C[NH+](C)C1(CNC(=[NH2+])NCc2ccc(OC(F)(F)F)cc2)CCCC1 ZINC000849090011 731227843 /nfs/dbraw/zinc/22/78/43/731227843.db2.gz NHIPOHGTKAYPFC-UHFFFAOYSA-N 2 0 358.408 3.074 20 0 FGADRP CC(C)[C@@H](CC[NH2+]C1CC[NH+](CC2CC2)CC1)NC(=O)OC(C)(C)C ZINC000850565563 731373883 /nfs/dbraw/zinc/37/38/83/731373883.db2.gz OHABBSXUIOSPDM-GOSISDBHSA-N 2 0 353.551 3.390 20 0 FGADRP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)Nc1ccccc1SC(F)F ZINC000854226198 731806157 /nfs/dbraw/zinc/80/61/57/731806157.db2.gz JMYAHLMJVABCFF-ZDUSSCGKSA-N 2 0 374.501 3.395 20 0 FGADRP Cc1ncc(C[NH+]2CC[C@H](Oc3ccnc(C[N@@H+](C)C(C)C)c3)C2)s1 ZINC000856561854 732039067 /nfs/dbraw/zinc/03/90/67/732039067.db2.gz SRCKVRWVGWNQBB-SFHVURJKSA-N 2 0 360.527 3.340 20 0 FGADRP CC[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](C[C@@H]3CCC(F)(F)C3)C2)ccn1 ZINC000856585110 732039403 /nfs/dbraw/zinc/03/94/03/732039403.db2.gz ZMIRUKMHQBUCJQ-CRAIPNDOSA-N 2 0 353.457 3.422 20 0 FGADRP Cc1ccccc1SC[C@@H](C)C[NH+]1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000859193232 732288298 /nfs/dbraw/zinc/28/82/98/732288298.db2.gz RZARSUCNDPAYPE-ICSRJNTNSA-N 2 0 361.599 3.435 20 0 FGADRP C[C@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)c1cc2c(ccnc2Cl)o1 ZINC000866264714 733330716 /nfs/dbraw/zinc/33/07/16/733330716.db2.gz DVQYVURBUGZVKX-KBPBESRZSA-N 2 0 362.905 3.300 20 0 FGADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@@H](c2cccc(Br)c2)[C@H]2CCOC2)C1 ZINC000872083370 735586278 /nfs/dbraw/zinc/58/62/78/735586278.db2.gz LJNNSXDPFOFYON-PLYYQAHHSA-N 2 0 367.331 3.457 20 0 FGADRP C[C@H](C(=O)Nc1c(F)c(F)c(F)c(F)c1F)[N@H+](C)CCCCCC[NH3+] ZINC000872155462 735596887 /nfs/dbraw/zinc/59/68/87/735596887.db2.gz STAVTBFIMNKBSF-SECBINFHSA-N 2 0 367.362 3.160 20 0 FGADRP C[C@@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+][C@@H](C)C1CC[NH2+]CC1 ZINC000873220847 735739658 /nfs/dbraw/zinc/73/96/58/735739658.db2.gz VEHJEEFMNDPCAN-GJZGRUSLSA-N 2 0 351.922 3.055 20 0 FGADRP C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+][C@H](C)C1CC[NH2+]CC1 ZINC000873221650 735739763 /nfs/dbraw/zinc/73/97/63/735739763.db2.gz ZRGXVJUGVDPSCI-CHWSQXEVSA-N 2 0 357.420 3.400 20 0 FGADRP C[C@@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000873250018 735743926 /nfs/dbraw/zinc/74/39/26/735743926.db2.gz ORVJUHIHSDLVHZ-JBLDHEPKSA-N 2 0 363.811 3.403 20 0 FGADRP C[C@@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000873260405 735744430 /nfs/dbraw/zinc/74/44/30/735744430.db2.gz ZXDBMSHRXONEDL-WQCNXYOZSA-N 2 0 363.933 3.197 20 0 FGADRP COc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CC3(CO1)CC[NH2+]CC3)CCCS2 ZINC000873290893 735747199 /nfs/dbraw/zinc/74/71/99/735747199.db2.gz BPABMXBDGNVPID-FUHWJXTLSA-N 2 0 362.539 3.371 20 0 FGADRP C[C@H]([NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2)c1cc(Br)cs1 ZINC000873293819 735747531 /nfs/dbraw/zinc/74/75/31/735747531.db2.gz PPUWRYAMGQXJFX-AAEUAGOBSA-N 2 0 359.333 3.320 20 0 FGADRP Brc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CC3(CO1)CC[NH2+]CC3)CC2 ZINC000873293751 735747718 /nfs/dbraw/zinc/74/77/18/735747718.db2.gz PASKDTZOBVEKEO-DOTOQJQBSA-N 2 0 365.315 3.185 20 0 FGADRP C[NH+](C)CC1CC[NH+](C[C@@H](CC(F)(F)F)NC(=O)OC(C)(C)C)CC1 ZINC000876577576 736116139 /nfs/dbraw/zinc/11/61/39/736116139.db2.gz FBJRNKHJYZWESE-CQSZACIVSA-N 2 0 367.456 3.106 20 0 FGADRP Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)/C=C\[C@H]1CCC[NH2+]C1 ZINC000876743486 736139347 /nfs/dbraw/zinc/13/93/47/736139347.db2.gz DHVXKPKQEIIELF-ZPUOCTKUSA-N 2 0 359.539 3.038 20 0 FGADRP O[C@@H]1CCC[C@@H]1[NH+]1CCC([NH2+]Cc2cc3nc(Cl)ccc3s2)CC1 ZINC000877090888 736186839 /nfs/dbraw/zinc/18/68/39/736186839.db2.gz XRBNVLPFTYWOSU-JKSUJKDBSA-N 2 0 365.930 3.417 20 0 FGADRP C[NH+]1CCC2(CC[N@H+](C[C@@H](O)c3ccc(F)c(Br)c3)C2)CC1 ZINC000878867326 736927404 /nfs/dbraw/zinc/92/74/04/736927404.db2.gz RUCBUUUYPOSNMQ-MRXNPFEDSA-N 2 0 371.294 3.039 20 0 FGADRP CC(C)(O)[C@@H]1CCC[NH+](CCCCC[N@H+]2CCC[C@H](C(C)(C)O)C2)C1 ZINC000879962485 737091150 /nfs/dbraw/zinc/09/11/50/737091150.db2.gz OFYVPDXRNQSLEN-KDURUIRLSA-N 2 0 354.579 3.123 20 0 FGADRP [NH3+][C@H](C[C@@H]1CCC[N@H+](C[C@@H]2CCC3(CCOCC3)O2)C1)C1CCCC1 ZINC000883441179 737567019 /nfs/dbraw/zinc/56/70/19/737567019.db2.gz JHNQHIHREZTVKB-YSIASYRMSA-N 2 0 350.547 3.334 20 0 FGADRP CC[NH+](CC)CCCC1CC[NH+]([C@@H]2CCC3(C[C@H]2F)OCCO3)CC1 ZINC000893499038 742163121 /nfs/dbraw/zinc/16/31/21/742163121.db2.gz QSOLCANVWSKIOA-RTBURBONSA-N 2 0 356.526 3.454 20 0 FGADRP O[C@@H]1CCC[C@H]1[NH+]1CCC([NH2+]Cc2cc3ccnc(Cl)c3s2)CC1 ZINC000894331081 742268568 /nfs/dbraw/zinc/26/85/68/742268568.db2.gz AKRVENPARJGADE-HZPDHXFCSA-N 2 0 365.930 3.417 20 0 FGADRP COC(=O)c1cnc(C[NH2+]C2CCC([NH+]3CCC(C)CC3)CC2)s1 ZINC000894357246 742272915 /nfs/dbraw/zinc/27/29/15/742272915.db2.gz RWDHSYVFFADFSI-UHFFFAOYSA-N 2 0 351.516 3.062 20 0 FGADRP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)[C@H]1CCC2(C[C@H]1F)OCCO2 ZINC000894456168 742285920 /nfs/dbraw/zinc/28/59/20/742285920.db2.gz MLNPMZGTULGUAL-MOPGFXCFSA-N 2 0 350.478 3.204 20 0 FGADRP CSC1(C[NH2+]Cc2cnc(CC(F)(F)F)s2)CC[NH+](C)CC1 ZINC000894544186 742297371 /nfs/dbraw/zinc/29/73/71/742297371.db2.gz CBUQNXYQRPDDMQ-UHFFFAOYSA-N 2 0 353.479 3.165 20 0 FGADRP [NH3+]CCCC[C@H]([NH2+][C@H]1CCN(CC(F)(F)F)C1)c1ccc(F)cc1F ZINC000902334467 743733543 /nfs/dbraw/zinc/73/35/43/743733543.db2.gz FLJXXNYOODTBCI-BBRMVZONSA-N 2 0 365.390 3.361 20 0 FGADRP CS(=O)(=O)[C@@H]1CCC[C@@H]([NH2+][C@@H](CCCC[NH3+])c2ccc(F)cc2F)C1 ZINC000902345548 743734599 /nfs/dbraw/zinc/73/45/99/743734599.db2.gz DAQGXHAPWNKLRW-RKVPGOIHSA-N 2 0 374.497 3.080 20 0 FGADRP [NH3+]CCCC[C@H]([NH2+]C[C@@H]1COC2(CCCC2)O1)c1ccc(F)cc1F ZINC000902368185 743737491 /nfs/dbraw/zinc/73/74/91/743737491.db2.gz FBTVGOQJXZYIQU-QAPCUYQASA-N 2 0 354.441 3.410 20 0 FGADRP C([C@@H]1CCOC1)[NH+]1CCC([NH2+][C@H]2CCC[C@@H](C3CCOCC3)C2)CC1 ZINC000902810001 743777272 /nfs/dbraw/zinc/77/72/72/743777272.db2.gz YWYSIPAGLIJLEO-DSKINZAPSA-N 2 0 350.547 3.062 20 0 FGADRP C[C@H](CCCNC(=O)OC(C)(C)C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903176450 743817761 /nfs/dbraw/zinc/81/77/61/743817761.db2.gz AHKBRGDXKRDLEO-DUZACMNTSA-N 2 0 351.535 3.427 20 0 FGADRP C[C@H]([NH2+]C1CCC(C)([NH+]2CCC2)CC1)C1(NC(=O)OC(C)(C)C)CC1 ZINC000903226082 743825258 /nfs/dbraw/zinc/82/52/58/743825258.db2.gz KFHVFLGHEOWNIQ-LYGPFTKASA-N 2 0 351.535 3.429 20 0 FGADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2C[C@@H]2[C@@H](c3ccccc3)C2(F)F)C1 ZINC000903460833 743853340 /nfs/dbraw/zinc/85/33/40/743853340.db2.gz JOXUAFRSLZWDQU-IEWDOMPSSA-N 2 0 350.453 3.396 20 0 FGADRP COc1ccc(-c2nc(C[N@@H+]3C[C@@H](C)[C@H](CC[NH3+])C3)cs2)c(OC)c1 ZINC000903498730 743856568 /nfs/dbraw/zinc/85/65/68/743856568.db2.gz CMPITDOCIQRNAQ-ZIAGYGMSSA-N 2 0 361.511 3.244 20 0 FGADRP C(OC1CC[NH+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)CC1)C1CCCCC1 ZINC000903726189 743879404 /nfs/dbraw/zinc/87/94/04/743879404.db2.gz KJRHULQDOPCOFT-FQEVSTJZSA-N 2 0 350.547 3.206 20 0 FGADRP Clc1ccccc1C[C@H]1CCC[N@@H+]1Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903885668 743892484 /nfs/dbraw/zinc/89/24/84/743892484.db2.gz IOTJOYQRTMCQLO-SJORKVTESA-N 2 0 359.905 3.063 20 0 FGADRP [NH3+][C@@H](C[NH2+]CC1(c2cccc(C(F)(F)F)c2)CCOCC1)CC(F)F ZINC000903919159 743897169 /nfs/dbraw/zinc/89/71/69/743897169.db2.gz AOLJEDIPTZDYAY-CQSZACIVSA-N 2 0 366.374 3.326 20 0 FGADRP FC1(F)CC[NH2+]C[C@H]1C[NH2+]C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000903957279 743905347 /nfs/dbraw/zinc/90/53/47/743905347.db2.gz PLCXHMDUGCVPPH-HNNXBMFYSA-N 2 0 357.876 3.139 20 0 FGADRP [NH3+]Cc1ccccc1NC(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000904659958 743966841 /nfs/dbraw/zinc/96/68/41/743966841.db2.gz QWAXOKFQTGGOBC-OAHLLOKOSA-N 2 0 358.511 3.241 20 0 FGADRP Cc1ccc(C[N@H+]2CC[C@@H](CN(C)C(=O)CC[NH2+]C(C)(C)C)C2)s1 ZINC000935884004 761963593 /nfs/dbraw/zinc/96/35/93/761963593.db2.gz ZOOGIMNWJHILBG-INIZCTEOSA-N 2 0 351.560 3.115 20 0 FGADRP CCC(CC)C[N@@H+]1CCC[C@H](N(C)C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC000948389487 762328488 /nfs/dbraw/zinc/32/84/88/762328488.db2.gz TYHISMHILDPOAD-SLFFLAALSA-N 2 0 351.579 3.466 20 0 FGADRP C[C@@H]1C[C@@H](C)C[NH+](CCCC[NH2+]Cc2csc(-c3ccn(C)n3)n2)C1 ZINC000921541348 758739191 /nfs/dbraw/zinc/73/91/91/758739191.db2.gz LBTOXINQKAXQKM-HZPDHXFCSA-N 2 0 361.559 3.391 20 0 FGADRP CC(C)[C@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1ccccc1Br)C2 ZINC000922388789 758910659 /nfs/dbraw/zinc/91/06/59/758910659.db2.gz RGXGRDFFPRTWDK-TVFCKZIOSA-N 2 0 367.331 3.018 20 0 FGADRP Brc1ccc([C@@H]2CCC[N@@H+]2C[C@@H]2CC3(C[NH2+]C3)CO2)s1 ZINC000923375746 759108182 /nfs/dbraw/zinc/10/81/82/759108182.db2.gz DAFABLAMHHRLLV-RYUDHWBXSA-N 2 0 357.317 3.026 20 0 FGADRP Cc1nc(C[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)sc1C(C)(C)C ZINC000923411848 759113809 /nfs/dbraw/zinc/11/38/09/759113809.db2.gz UMPZGXFGGIXYRP-INIZCTEOSA-N 2 0 351.560 3.340 20 0 FGADRP Clc1ccnc2c1CC[C@H]2[NH2+]Cc1ccccc1CN1CCOCC1 ZINC000924574799 759356128 /nfs/dbraw/zinc/35/61/28/759356128.db2.gz PIEZIWALRFOISK-LJQANCHMSA-N 2 0 357.885 3.344 20 0 FGADRP C[NH+]1CCN(CCC[NH2+][C@@H](Cc2ccccc2Cl)c2ccco2)CC1 ZINC000924579747 759357222 /nfs/dbraw/zinc/35/72/22/759357222.db2.gz ZDIGIXHESZUEQF-IBGZPJMESA-N 2 0 361.917 3.444 20 0 FGADRP CC1CC[NH+](CCCC[NH2+]C2CC(CNC(=O)OC(C)(C)C)C2)CC1 ZINC000924682487 759371310 /nfs/dbraw/zinc/37/13/10/759371310.db2.gz WMLZEYONTCAWJF-UHFFFAOYSA-N 2 0 353.551 3.391 20 0 FGADRP C[C@H](C[NH2+]C(CCC(F)(F)F)CCC(F)(F)F)N1CC[NH+](C)CC1 ZINC000924966755 759424552 /nfs/dbraw/zinc/42/45/52/759424552.db2.gz UVFGZEWZAZQISA-GFCCVEGCSA-N 2 0 363.390 3.266 20 0 FGADRP C[N@@H+]1CCC[C@@H]2C[NH+](C[C@@H]3CC[C@H](NC(=O)OC(C)(C)C)C3)CC[C@H]21 ZINC000929848038 760469680 /nfs/dbraw/zinc/46/96/80/760469680.db2.gz OWHPNQSHPYIRBY-ZJPYXAASSA-N 2 0 351.535 3.096 20 0 FGADRP C[N@@H+]1CCC[C@@]2(CC[NH+](C[C@@H]3CC[C@H](NC(=O)OC(C)(C)C)C3)C2)C1 ZINC000930577124 760646205 /nfs/dbraw/zinc/64/62/05/760646205.db2.gz JFZVROBHCWGOII-FUHIMQAGSA-N 2 0 351.535 3.098 20 0 FGADRP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]([NH2+]Cc3ccc(C)cc3Cl)C2)CC[N@@H+]1C ZINC000968737755 762842164 /nfs/dbraw/zinc/84/21/64/762842164.db2.gz GIQWFLVVFXNFTK-ZIFCJYIRSA-N 2 0 363.933 3.069 20 0 FGADRP CC[C@@H]1[C@@H](C(=O)N(CC)[C@@H]2CCC[NH+](C/C=C/Cl)CC2)CC[N@@H+]1C ZINC000998006642 765091537 /nfs/dbraw/zinc/09/15/37/765091537.db2.gz LKTUCIALAWZUAH-DRBQWCDHSA-N 2 0 355.954 3.172 20 0 FGADRP CC[C@@H]1[C@@H](C(=O)N2CCCC[C@]3(CC[NH+](C/C=C\Cl)C3)C2)CC[N@@H+]1C ZINC001045938715 766576321 /nfs/dbraw/zinc/57/63/21/766576321.db2.gz JQTFVIDJORBHCA-FOIKCUMBSA-N 2 0 367.965 3.174 20 0 FGADRP C[NH2+]CCc1ccccc1C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000567968200 505585542 /nfs/dbraw/zinc/58/55/42/505585542.db2.gz MWRBNNHGYZQLOL-UHFFFAOYSA-N 2 0 365.521 3.364 20 0 FGADRP CN(CCC[N@H+](C)Cc1c[nH]nc1-c1ccc(Cl)cc1)CC[NH+](C)C ZINC000570857449 505597173 /nfs/dbraw/zinc/59/71/73/505597173.db2.gz OIXWMSYEHBDGDX-UHFFFAOYSA-N 2 0 363.937 3.045 20 0 FGADRP Cc1cnc([C@@H](C)C[NH2+]C[C@H](O)Cn2cnc3cc(C)c(C)cc32)s1 ZINC000576817606 505601618 /nfs/dbraw/zinc/60/16/18/505601618.db2.gz MIFBUEKCGCWJRO-HOCLYGCPSA-N 2 0 358.511 3.172 20 0 FGADRP CC1CC[NH+](CCc2cccc(NC(=O)N3CC[C@@](C)(C[NH3+])C3)c2)CC1 ZINC000573816960 505628542 /nfs/dbraw/zinc/62/85/42/505628542.db2.gz QQWDGECQQHRUHC-NRFANRHFSA-N 2 0 358.530 3.164 20 0 FGADRP Cc1ncc2c(n1)CC[C@@H]([NH2+][C@H]1CCN(Cc3ccccc3)C3(CC3)C1)C2 ZINC000579836314 505630038 /nfs/dbraw/zinc/63/00/38/505630038.db2.gz GCNYOUIIYGKHGW-RTWAWAEBSA-N 2 0 362.521 3.429 20 0 FGADRP Cc1ncncc1[C@@H](C)[NH2+]Cc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000576957952 505634078 /nfs/dbraw/zinc/63/40/78/505634078.db2.gz UAMFLDXSADWTKI-IXDOHACOSA-N 2 0 354.498 3.245 20 0 FGADRP C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@H]3CCc4cncn4C3)cc2)C1 ZINC000577066446 505656592 /nfs/dbraw/zinc/65/65/92/505656592.db2.gz SKFAYYDXLXMCHU-WMZOPIPTSA-N 2 0 352.482 3.316 20 0 FGADRP CCCc1cccc(C[NH+]2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)c1 ZINC000571207756 505679783 /nfs/dbraw/zinc/67/97/83/505679783.db2.gz GZQHSFZOBVPFIF-UHFFFAOYSA-N 2 0 371.569 3.453 20 0 FGADRP COc1ccc(C[NH+]2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)c(Cl)c1OC ZINC000577162289 505677061 /nfs/dbraw/zinc/67/70/61/505677061.db2.gz XODUYBWTWJLDAX-RDJZCZTQSA-N 2 0 368.905 3.076 20 0 FGADRP CC(C)(C)[N@@H+]1CCCN(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000057609235 493776562 /nfs/dbraw/zinc/77/65/62/493776562.db2.gz QWWCCUZVEZEPQO-UHFFFAOYSA-N 2 0 372.557 3.298 20 0 FGADRP CCCC[NH+]1CCC(NC(=O)NC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000068369225 493806277 /nfs/dbraw/zinc/80/62/77/493806277.db2.gz MVEAKRPBRNDWRH-UHFFFAOYSA-N 2 0 372.557 3.215 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1cccc(Cl)c1F ZINC000076332159 493867718 /nfs/dbraw/zinc/86/77/18/493867718.db2.gz PGPCBEMZTOJSKA-CQSZACIVSA-N 2 0 370.900 3.359 20 0 FGADRP C[NH+](C)[C@@H](CNC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1cccs1 ZINC000050024740 493892013 /nfs/dbraw/zinc/89/20/13/493892013.db2.gz OLHHYIKIGXDILU-OALUTQOASA-N 2 0 371.550 3.379 20 0 FGADRP C[C@@H]1CCCN(Cc2csc(NC(=O)c3ccccc3CC[NH3+])n2)C1 ZINC000568407309 505687230 /nfs/dbraw/zinc/68/72/30/505687230.db2.gz JPFRANUJLMLJPC-CQSZACIVSA-N 2 0 358.511 3.129 20 0 FGADRP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](CCC(=O)NCc2ccccc2Cl)C1 ZINC000081635255 493934725 /nfs/dbraw/zinc/93/47/25/493934725.db2.gz LIJIHOPXCQZRDZ-KRWDZBQOSA-N 2 0 363.933 3.010 20 0 FGADRP CC(C)(C)[N@@H+]1CCCN(C(=O)[C@@H]2CCC[NH+](Cc3ccccc3)C2)CC1 ZINC000069301122 493953488 /nfs/dbraw/zinc/95/34/88/493953488.db2.gz XMJMGTBFWNCUQH-HXUWFJFHSA-N 2 0 357.542 3.231 20 0 FGADRP O=C(NCC[NH+]1CCCCC1)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000060798191 493955037 /nfs/dbraw/zinc/95/50/37/493955037.db2.gz OPPZHNWRKICNJZ-UHFFFAOYSA-N 2 0 372.557 3.348 20 0 FGADRP c1cc(C[NH+]2CCCCC2)cc(C[N@@H+]2CCOC3(CCOCC3)CC2)c1 ZINC000571263306 505692753 /nfs/dbraw/zinc/69/27/53/505692753.db2.gz ZAMIIXVGGSZZPD-UHFFFAOYSA-N 2 0 358.526 3.444 20 0 FGADRP CC(C)Oc1ccc(C[NH2+]Cc2ccc(C(=O)NCC[NH+](C)C)cc2)cc1 ZINC000076893946 493985202 /nfs/dbraw/zinc/98/52/02/493985202.db2.gz DFPPOVJLRGZBRU-UHFFFAOYSA-N 2 0 369.509 3.055 20 0 FGADRP C[N@H+](Cc1ccccc1CNC(=O)N[C@@H]1CCC[NH+](C)C1)C1CCCCC1 ZINC000052559847 494040022 /nfs/dbraw/zinc/04/00/22/494040022.db2.gz IWYXDZWJGXBLOB-HXUWFJFHSA-N 2 0 372.557 3.345 20 0 FGADRP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@H](C)CC2)CC1 ZINC000063302444 494042519 /nfs/dbraw/zinc/04/25/19/494042519.db2.gz BHXPHESOHAJBIE-GOSISDBHSA-N 2 0 357.542 3.198 20 0 FGADRP C[NH+](C)CCN(Cc1cccs1)C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000084381569 494068097 /nfs/dbraw/zinc/06/80/97/494068097.db2.gz BDMWNPCCOPTALX-QGZVFWFLSA-N 2 0 363.571 3.293 20 0 FGADRP C[N@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)Cc1cccc2ccccc21 ZINC000053017341 494084255 /nfs/dbraw/zinc/08/42/55/494084255.db2.gz OSWSEHWZNACSIL-UHFFFAOYSA-N 2 0 351.494 3.015 20 0 FGADRP CN(CC[N@H+](C)C1CCCCC1)C(=O)[C@@H]1CCC[NH+]1Cc1ccccc1 ZINC000063771112 494086328 /nfs/dbraw/zinc/08/63/28/494086328.db2.gz JVUDMSLHJLOJCY-NRFANRHFSA-N 2 0 357.542 3.374 20 0 FGADRP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000085388350 494119221 /nfs/dbraw/zinc/11/92/21/494119221.db2.gz OWKCAFFNQPLXPC-NQIIRXRSSA-N 2 0 372.557 3.154 20 0 FGADRP CC(C)[N@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)Cc1cccc(Cl)c1 ZINC000064508653 494129534 /nfs/dbraw/zinc/12/95/34/494129534.db2.gz MFNOVUQUZRPNPO-UHFFFAOYSA-N 2 0 363.933 3.293 20 0 FGADRP CC(C)[C@H](C[NH2+][C@H](C)c1sccc1Br)N1CCN(C)CC1 ZINC000040770322 494146211 /nfs/dbraw/zinc/14/62/11/494146211.db2.gz XKGCULNWRQJGSM-HIFRSBDPSA-N 2 0 374.392 3.433 20 0 FGADRP CC(C)[N@@H+]1CC[C@@H](CNC(=O)N2CCC[NH+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000077694467 494147007 /nfs/dbraw/zinc/14/70/07/494147007.db2.gz TYWIWWYJAQUWGL-FPOVZHCZSA-N 2 0 372.557 3.023 20 0 FGADRP C[NH+]1CCN(c2ccc(C(F)(F)F)cc2C[NH2+]Cc2cc[nH]c2)CC1 ZINC000086255070 494147115 /nfs/dbraw/zinc/14/71/15/494147115.db2.gz LMBBYZPRWIUWDO-UHFFFAOYSA-N 2 0 352.404 3.075 20 0 FGADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)NCCC[NH+]2CCC(C)CC2)C1 ZINC000065521804 494208675 /nfs/dbraw/zinc/20/86/75/494208675.db2.gz ZOMSCIGTMKNWOR-FPOVZHCZSA-N 2 0 372.557 3.243 20 0 FGADRP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)C1 ZINC000065527174 494209935 /nfs/dbraw/zinc/20/99/35/494209935.db2.gz WMZFGMQVZCVXES-HZPDHXFCSA-N 2 0 366.594 3.351 20 0 FGADRP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccccc2N2CC[NH+](CCC)CC2)C1 ZINC000088687622 494255045 /nfs/dbraw/zinc/25/50/45/494255045.db2.gz YOMIQINPNBVBNT-FQEVSTJZSA-N 3 0 358.574 3.040 20 0 FGADRP CC(C)[N@H+](C)Cc1cccc(C[NH2+]Cc2cnc(N3CCCC3)nc2)c1 ZINC000065976685 494264719 /nfs/dbraw/zinc/26/47/19/494264719.db2.gz FRFJEBZFZZFXBM-UHFFFAOYSA-N 2 0 353.514 3.207 20 0 FGADRP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCCC[C@H]2c2cccc(C)c2C)CC1 ZINC000089131715 494268900 /nfs/dbraw/zinc/26/89/00/494268900.db2.gz YVJYYCQPNVKZBP-NRFANRHFSA-N 2 0 357.542 3.431 20 0 FGADRP CC[NH+](CC)CCOc1ccc(NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000072949900 494289034 /nfs/dbraw/zinc/28/90/34/494289034.db2.gz KDTXMPOUOUNKDP-MOPGFXCFSA-N 2 0 374.529 3.108 20 0 FGADRP CC(C)[C@H](CNC(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1)[NH+]1CCC(C)CC1 ZINC000078523030 494313673 /nfs/dbraw/zinc/31/36/73/494313673.db2.gz DPHBWSBREUBWOS-UXHICEINSA-N 2 0 366.594 3.163 20 0 FGADRP C[C@H](CC(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C)[C@H]1CCC[NH2+]C1 ZINC000577369881 505715452 /nfs/dbraw/zinc/71/54/52/505715452.db2.gz OQOAZLFSLJBSPW-HFTRVMKXSA-N 2 0 351.922 3.085 20 0 FGADRP C[C@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1ccc(I)cc1 ZINC000044533231 494363862 /nfs/dbraw/zinc/36/38/62/494363862.db2.gz OIWIAFUWDQAIGQ-QWHCGFSZSA-N 2 0 358.267 3.284 20 0 FGADRP Cc1ccc(C)c(OC[C@@H](O)C[NH2+]CCCc2nc3ccccc3[nH]2)c1C ZINC000574191805 505716150 /nfs/dbraw/zinc/71/61/50/505716150.db2.gz ILAYEWWFBLECNW-SFHVURJKSA-N 2 0 367.493 3.450 20 0 FGADRP CCC[NH+]1CCC(NC(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)CC1 ZINC000073494888 494379253 /nfs/dbraw/zinc/37/92/53/494379253.db2.gz LHURKLYFXPQWJD-QGZVFWFLSA-N 2 0 364.559 3.059 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)c2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000044907662 494388303 /nfs/dbraw/zinc/38/83/03/494388303.db2.gz FHAISTAMJABHOR-KDURUIRLSA-N 2 0 357.542 3.380 20 0 FGADRP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000073666610 494409496 /nfs/dbraw/zinc/40/94/96/494409496.db2.gz GKRMFKFRDVLNAP-SFTDATJTSA-N 2 0 372.557 3.339 20 0 FGADRP CC(C)[NH+](Cc1cncc(C[N@@H+](C(C)C)[C@H]2CCOC2)c1)[C@H]1CCOC1 ZINC000580277820 505720532 /nfs/dbraw/zinc/72/05/32/505720532.db2.gz BEYQVRMQOKNKSG-SFTDATJTSA-N 2 0 361.530 3.080 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)N(C)CC[C@@H]2CCCC[NH+]2C)C1 ZINC000073677742 494412214 /nfs/dbraw/zinc/41/22/14/494412214.db2.gz HLTRJFBQCNJVOW-ZCNNSNEGSA-N 2 0 366.594 3.260 20 0 FGADRP CC[C@@H](Cc1ccccc1)[NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000090038536 494431278 /nfs/dbraw/zinc/43/12/78/494431278.db2.gz YAMNWZXMXCLZQS-NRFANRHFSA-N 2 0 353.510 3.089 20 0 FGADRP COc1ccc(C)cc1[C@@H](C)[NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000090038765 494432070 /nfs/dbraw/zinc/43/20/70/494432070.db2.gz CTSZQSLXWWLSGW-QGZVFWFLSA-N 2 0 369.509 3.146 20 0 FGADRP O=C(N[C@@H](C[NH+]1CCCC1)c1ccccc1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000079310887 494435385 /nfs/dbraw/zinc/43/53/85/494435385.db2.gz JEZTURILJFONLJ-RTWAWAEBSA-N 2 0 370.541 3.093 20 0 FGADRP CC(C)[NH+]1CCC(C(=O)N2CCC[N@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000073930637 494450839 /nfs/dbraw/zinc/45/08/39/494450839.db2.gz KWXPUHKMGWNVAQ-IBGZPJMESA-N 2 0 357.542 3.230 20 0 FGADRP C[C@H]([NH2+]CCOc1ccc(Cl)cn1)c1cccc(OCC[NH+](C)C)c1 ZINC000090409435 494463124 /nfs/dbraw/zinc/46/31/24/494463124.db2.gz QJVKFBHGHCCGNZ-HNNXBMFYSA-N 2 0 363.889 3.405 20 0 FGADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](CO)Cc2ccc(OC(F)(F)F)cc2)[C@H](C)C1 ZINC000090521760 494477463 /nfs/dbraw/zinc/47/74/63/494477463.db2.gz STVPRECLRXBPJN-KYJSFNMBSA-N 2 0 374.447 3.056 20 0 FGADRP CC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1ccc2c(c1)OCCO2 ZINC000090524574 494478311 /nfs/dbraw/zinc/47/83/11/494478311.db2.gz LRNDTDIBKYLQBI-ZCNNSNEGSA-N 2 0 374.525 3.266 20 0 FGADRP C[C@H]([NH2+][C@@H]1CCO[C@]2(CCSC2)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000090541739 494480493 /nfs/dbraw/zinc/48/04/93/494480493.db2.gz VPPQILBPVBFLST-ILZDJORESA-N 2 0 364.555 3.332 20 0 FGADRP CC(C)[N@H+](C)CC1CCN(C(=O)NC[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000079569722 494484018 /nfs/dbraw/zinc/48/40/18/494484018.db2.gz FGFISHIUOCQUOZ-FQEVSTJZSA-N 2 0 360.546 3.051 20 0 FGADRP C[C@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)c1cnc2ccsc2c1 ZINC000090937051 494504472 /nfs/dbraw/zinc/50/44/72/494504472.db2.gz AYNUHBJEROWBOU-AWEZNQCLSA-N 2 0 356.495 3.483 20 0 FGADRP CCCC[N@H+](C)CC1CC[NH+](Cc2cc(=O)n3c(C)csc3n2)CC1 ZINC000074319661 494518444 /nfs/dbraw/zinc/51/84/44/494518444.db2.gz JIQZPZKKQXDWSC-UHFFFAOYSA-N 2 0 362.543 3.008 20 0 FGADRP C[NH+](C)Cc1c2ccccc2oc1C(=O)NCC1([NH+](C)C)CCCCC1 ZINC000074398651 494529772 /nfs/dbraw/zinc/52/97/72/494529772.db2.gz FRGIXHWEWWIGHH-UHFFFAOYSA-N 2 0 357.498 3.489 20 0 FGADRP CC[NH+]1CCN(c2ccccc2NC(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC000074400379 494529989 /nfs/dbraw/zinc/52/99/89/494529989.db2.gz MDHVVRHEQLIFSI-SFHVURJKSA-N 2 0 358.530 3.032 20 0 FGADRP O=C(Nc1ccc(CC[NH+]2CCCCC2)cc1)NC1CC[NH+](C2CC2)CC1 ZINC000056764326 494559544 /nfs/dbraw/zinc/55/95/44/494559544.db2.gz VVNSNDBDCPTFNQ-UHFFFAOYSA-N 2 0 370.541 3.463 20 0 FGADRP C[C@@H](CNC(=O)N1CCC(C[NH+]2CCCCCC2)CC1)C[NH+]1CCCC1 ZINC000080051426 494577152 /nfs/dbraw/zinc/57/71/52/494577152.db2.gz AOWVXBRKIHYRQM-IBGZPJMESA-N 2 0 364.578 3.016 20 0 FGADRP CC[C@H]([NH2+]C[C@H](C)CN1CC[NH+](C)CC1)c1ccc(Br)cc1 ZINC000121070758 494579666 /nfs/dbraw/zinc/57/96/66/494579666.db2.gz KQJXPYDFYLYZRS-YJBOKZPZSA-N 2 0 368.363 3.373 20 0 FGADRP CCOc1ccc([C@H](C)[NH2+]C[C@@H](C)CN2CC[NH+](C)CC2)cc1OCC ZINC000121071877 494579703 /nfs/dbraw/zinc/57/97/03/494579703.db2.gz QAOZIZXGPCZPMT-MSOLQXFVSA-N 2 0 363.546 3.018 20 0 FGADRP COc1ccccc1[C@H]([NH2+]C[C@@H](C)CN1CC[NH+](C)CC1)C1CCCC1 ZINC000091320287 494583399 /nfs/dbraw/zinc/58/33/99/494583399.db2.gz HJCWLBXGAZDQFU-XMSQKQJNSA-N 2 0 359.558 3.400 20 0 FGADRP C[NH+](Cc1cccc(C[N@H+](C)C[C@@H]2CCCOC2)c1)C[C@@H]1CCCOC1 ZINC000107692269 494584930 /nfs/dbraw/zinc/58/49/30/494584930.db2.gz PLUHKUWFODIWDR-VXKWHMMOSA-N 2 0 360.542 3.403 20 0 FGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H]2CCSc3ccc(F)cc32)CC1 ZINC000121105549 494598757 /nfs/dbraw/zinc/59/87/57/494598757.db2.gz XTNJBCXXQOLSPQ-CRAIPNDOSA-N 2 0 351.535 3.226 20 0 FGADRP C[C@@H]1C[C@H](NC(=O)NCCC2CC[NH+](C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000080114991 494602572 /nfs/dbraw/zinc/60/25/72/494602572.db2.gz YTUYTPDWXMVUKJ-WIYYLYMNSA-N 2 0 372.557 3.071 20 0 FGADRP Cc1cc(C)n(-c2ccc(C[NH2+][C@@H]3CCC[C@@H]3[C@H]3CCCC[NH2+]3)cn2)n1 ZINC000580311443 505730829 /nfs/dbraw/zinc/73/08/29/505730829.db2.gz KBGPOGYVDLKYQH-VAMGGRTRSA-N 2 0 353.514 3.285 20 0 FGADRP CC[NH+](CC)CCN(CC(C)C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000107832856 494608355 /nfs/dbraw/zinc/60/83/55/494608355.db2.gz WFRIOZHCSZQRLL-OAQYLSRUSA-N 2 0 374.573 3.270 20 0 FGADRP CCC[N@H+](CC)CCNC(=O)N[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000080159593 494617916 /nfs/dbraw/zinc/61/79/16/494617916.db2.gz WPOXYYYJGFOUBE-UYAOXDASSA-N 2 0 360.546 3.071 20 0 FGADRP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](C[C@H]2C[C@@H]2c2ccccc2)CC1 ZINC000092426678 494625243 /nfs/dbraw/zinc/62/52/43/494625243.db2.gz FGVWLUDCXAWZTK-NHCUHLMSSA-N 2 0 371.569 3.206 20 0 FGADRP C[C@H]([NH2+]CCCN1CCC[N@H+](C)CC1)c1ccc(Br)c(F)c1 ZINC000131461668 494628244 /nfs/dbraw/zinc/62/82/44/494628244.db2.gz TYCAZXGRUACGIM-AWEZNQCLSA-N 2 0 372.326 3.266 20 0 FGADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)N(C)C[C@H]1CCC[N@H+](C)C1)c1ccccc1 ZINC000115828598 494634850 /nfs/dbraw/zinc/63/48/50/494634850.db2.gz UEVQKDKUFDROMG-MSOLQXFVSA-N 2 0 360.546 3.099 20 0 FGADRP C[N@@H+]1CCC[C@H](CC[NH2+]C[C@H](O)COc2ccc(-c3ccccc3)cc2)C1 ZINC000568619724 505738259 /nfs/dbraw/zinc/73/82/59/505738259.db2.gz GHYVVWLTSIJYMS-KNQAVFIVSA-N 2 0 368.521 3.415 20 0 FGADRP CCC[NH+]1CCC([N@H+](C)Cc2cc(C)c(OCC(=O)OC)c(C)c2)CC1 ZINC000092165984 494802644 /nfs/dbraw/zinc/80/26/44/494802644.db2.gz WVIFALVEBNYZKA-UHFFFAOYSA-N 2 0 362.514 3.161 20 0 FGADRP CCCCN(C(=O)[C@@H]1CCn2ccnc2C1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000132106789 494821033 /nfs/dbraw/zinc/82/10/33/494821033.db2.gz YEWCXUYWHOZLQJ-MRXNPFEDSA-N 2 0 360.546 3.383 20 0 FGADRP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccc4cc(OC)ccc4c3)C2)CC1 ZINC000093132746 494831258 /nfs/dbraw/zinc/83/12/58/494831258.db2.gz VBNUSAZRQULLPY-OAQYLSRUSA-N 2 0 353.510 3.060 20 0 FGADRP CC[NH+]1CCN(CCC[NH2+][C@H]2CCCOc3cc4c(cc32)CCC4)CC1 ZINC000121903081 494885837 /nfs/dbraw/zinc/88/58/37/494885837.db2.gz CGKASHYZHMBOBN-NRFANRHFSA-N 2 0 357.542 3.006 20 0 FGADRP Cc1ccc(-c2n[nH]cc2C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)cc1 ZINC000093734903 494915143 /nfs/dbraw/zinc/91/51/43/494915143.db2.gz LTBQGTRQJVVKSX-UHFFFAOYSA-N 2 0 368.525 3.462 20 0 FGADRP COCC[N@H+](C)CCCC1CC[NH+](Cc2ccn(-c3ccccc3)n2)CC1 ZINC000122047576 494915483 /nfs/dbraw/zinc/91/54/83/494915483.db2.gz AIGIDILBHXXSPC-UHFFFAOYSA-N 2 0 370.541 3.443 20 0 FGADRP COCC[N@H+](C)CCCC1CC[NH+](Cc2ccccc2NC(C)=O)CC1 ZINC000093769475 494918611 /nfs/dbraw/zinc/91/86/11/494918611.db2.gz JPLXNCFQRIMZFF-UHFFFAOYSA-N 2 0 361.530 3.215 20 0 FGADRP Cc1cccn2c(C[NH+]3CCC(CC[NH+]4C[C@@H](C)O[C@H](C)C4)CC3)cnc12 ZINC000093844350 494927218 /nfs/dbraw/zinc/92/72/18/494927218.db2.gz UPHNPDMFSWAFBM-RTBURBONSA-N 2 0 370.541 3.354 20 0 FGADRP COCc1ccc(C[NH+]2CCC(CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)o1 ZINC000093844184 494927631 /nfs/dbraw/zinc/92/76/31/494927631.db2.gz OMTMDBAZUWHJPA-CALCHBBNSA-N 2 0 350.503 3.137 20 0 FGADRP C[C@@H](C[NH2+][C@@H](C)c1ccc(SCC(F)F)cc1)N1CC[NH+](C)CC1 ZINC000127338848 494930781 /nfs/dbraw/zinc/93/07/81/494930781.db2.gz WDHWIHAOIUOWIE-GJZGRUSLSA-N 2 0 357.514 3.330 20 0 FGADRP C[C@@H]1CCCCN1CC[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000133007094 494955576 /nfs/dbraw/zinc/95/55/76/494955576.db2.gz YEMFDROJAOAJMA-LJQANCHMSA-N 2 0 358.574 3.181 20 0 FGADRP C[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccc(OC(F)F)cc1 ZINC000133097483 494968968 /nfs/dbraw/zinc/96/89/68/494968968.db2.gz MJCDXIOSRVLDTQ-CABCVRRESA-N 2 0 354.441 3.440 20 0 FGADRP C[C@H](C[NH2+][C@@H]1CCCSc2ccc(Cl)cc21)N1CC[NH+](C)CC1 ZINC000127646693 494975896 /nfs/dbraw/zinc/97/58/96/494975896.db2.gz HARSDLAJLUKTQT-RHSMWYFYSA-N 2 0 353.963 3.493 20 0 FGADRP C[C@@H]([NH2+]C[C@H](C)N1CC[NH+](C)CC1)c1cc(Cl)ccc1OC(F)F ZINC000127699159 494982880 /nfs/dbraw/zinc/98/28/80/494982880.db2.gz CCRZSLXCHPSKKM-QWHCGFSZSA-N 2 0 361.864 3.228 20 0 FGADRP CCC[N@H+](CC)C[C@H](C)NC(=O)N[C@@H]1CC[NH+]([C@H](C)c2ccccc2)C1 ZINC000580417622 505755192 /nfs/dbraw/zinc/75/51/92/505755192.db2.gz RZGLYEMDWXSXGM-NLWGTHIKSA-N 2 0 360.546 3.242 20 0 FGADRP CCCC[C@H](C(=O)Nc1cc(C)on1)[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000118868643 495051018 /nfs/dbraw/zinc/05/10/18/495051018.db2.gz UXHJDKBJPVAJEK-QGZVFWFLSA-N 2 0 350.507 3.144 20 0 FGADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC2CC[NH+](C(C)(C)C)CC2)C1 ZINC000111474232 495079791 /nfs/dbraw/zinc/07/97/91/495079791.db2.gz PHMUAGTZDGWSSP-QGZVFWFLSA-N 2 0 366.594 3.449 20 0 FGADRP Cc1nc(-c2cccc(NC(=O)CN(C)[C@H]3CC[N@H+](C)[C@H](C)C3)c2)cs1 ZINC000123179911 495092301 /nfs/dbraw/zinc/09/23/01/495092301.db2.gz UQUASWAYLVHTEE-KDOFPFPSSA-N 2 0 372.538 3.472 20 0 FGADRP Cc1cc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)c(OC(F)F)cc1C ZINC000134127329 495110113 /nfs/dbraw/zinc/11/01/13/495110113.db2.gz KFSZCNGZHAVGII-UHFFFAOYSA-N 2 0 368.468 3.449 20 0 FGADRP FC(F)Oc1ccc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)cc1Cl ZINC000134138594 495111622 /nfs/dbraw/zinc/11/16/22/495111622.db2.gz FBZBZIBZWQGTGQ-UHFFFAOYSA-N 2 0 374.859 3.486 20 0 FGADRP CCc1ccc([C@@H](CNC(=O)c2cccc(C[NH+](C)C)c2)[NH+](C)C)cc1 ZINC000128554787 495115285 /nfs/dbraw/zinc/11/52/85/495115285.db2.gz QWWDIGPYRYKLKJ-OAQYLSRUSA-N 2 0 353.510 3.343 20 0 FGADRP C[C@@H](C[NH2+]Cc1cccc(OCc2ccc(F)cc2)c1)N1CC[NH+](C)CC1 ZINC000119259684 495129433 /nfs/dbraw/zinc/12/94/33/495129433.db2.gz QSXFGVFPCUTGQU-SFHVURJKSA-N 2 0 371.500 3.130 20 0 FGADRP C[C@H](C[NH2+]Cc1cccc(OCc2ccc(F)cc2)c1)N1CC[NH+](C)CC1 ZINC000119259805 495129507 /nfs/dbraw/zinc/12/95/07/495129507.db2.gz QSXFGVFPCUTGQU-GOSISDBHSA-N 2 0 371.500 3.130 20 0 FGADRP C[C@H]1CCC[N@@H+]1C1CCN(C(=O)NCCCCC[NH+]2CCCCC2)CC1 ZINC000128847458 495158231 /nfs/dbraw/zinc/15/82/31/495158231.db2.gz DKYKDDUGCWNDKI-IBGZPJMESA-N 2 0 364.578 3.301 20 0 FGADRP COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000119421475 495163588 /nfs/dbraw/zinc/16/35/88/495163588.db2.gz ZGIWLDGWUXWFFY-UONOGXRCSA-N 2 0 365.905 3.140 20 0 FGADRP C[C@@H]1CN(C(C)(C)C[NH2+]C2CC[NH+](C3CCCCC3)CC2)C[C@H](C)O1 ZINC000119454197 495170431 /nfs/dbraw/zinc/17/04/31/495170431.db2.gz KRAFYAWRMAKVCL-HDICACEKSA-N 2 0 351.579 3.261 20 0 FGADRP CCn1nccc1C[NH2+]CCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000119465513 495172824 /nfs/dbraw/zinc/17/28/24/495172824.db2.gz GEDJAZAKWMFXQC-UHFFFAOYSA-N 2 0 356.514 3.064 20 0 FGADRP C[C@@H]([NH2+][C@@H]1CCN(c2ccccc2)C1=O)c1cccc(OCC[NH+](C)C)c1 ZINC000128995697 495179649 /nfs/dbraw/zinc/17/96/49/495179649.db2.gz UNINYPLFGSEYTF-DYESRHJHSA-N 2 0 367.493 3.083 20 0 FGADRP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C[C@H]([NH3+])c1ccccc1 ZINC000119694986 495220423 /nfs/dbraw/zinc/22/04/23/495220423.db2.gz DGAFEDINOUWMMK-FPOVZHCZSA-N 2 0 351.494 3.057 20 0 FGADRP [NH3+][C@@H](CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccccc1 ZINC000119698037 495221160 /nfs/dbraw/zinc/22/11/60/495221160.db2.gz DARDENMRTMXJHE-KBRMVUAJSA-N 2 0 363.505 3.388 20 0 FGADRP CC1CC[NH+](C[C@H]2CCC[N@H+](CCC(=O)N(C)c3ccccc3)C2)CC1 ZINC000135014797 495238430 /nfs/dbraw/zinc/23/84/30/495238430.db2.gz NSIWWINNZJCRDS-FQEVSTJZSA-N 2 0 357.542 3.483 20 0 FGADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)NCCCCC[NH+]2CCCCC2)[C@H](C)C1 ZINC000129469418 495249830 /nfs/dbraw/zinc/24/98/30/495249830.db2.gz FAFBCAOIQBRRSL-RTBURBONSA-N 2 0 352.567 3.014 20 0 FGADRP C[NH+]1CCN(c2ncccc2C[NH2+][C@H]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000129509817 495255611 /nfs/dbraw/zinc/25/56/11/495255611.db2.gz PAGDPTYBYYRABB-CVEARBPZSA-N 2 0 356.436 3.044 20 0 FGADRP O=C([C@@H]1CCC[N@H+](Cc2ccccc2)C1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000112918881 495257140 /nfs/dbraw/zinc/25/71/40/495257140.db2.gz FIXJFVBFCAJTGM-JOCHJYFZSA-N 2 0 369.553 3.233 20 0 FGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000104137887 495269372 /nfs/dbraw/zinc/26/93/72/495269372.db2.gz LRVSEOSCGQPDPY-LJQANCHMSA-N 2 0 363.933 3.295 20 0 FGADRP C[NH+](C)CCNC(=O)c1cccc(C[NH2+][C@@H]2CCC[C@H](C(F)(F)F)C2)c1 ZINC000129655030 495276332 /nfs/dbraw/zinc/27/63/32/495276332.db2.gz AMOXHMJYDGNCHK-DLBZAZTESA-N 2 0 371.447 3.189 20 0 FGADRP CC[N@@H+]1CCC[C@@H](CNC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000105094064 495335759 /nfs/dbraw/zinc/33/57/59/495335759.db2.gz IXGKXNUMETVIDB-NRFANRHFSA-N 2 0 372.557 3.204 20 0 FGADRP CC[NH+](CC)Cc1ccccc1CNC(=O)NC[C@@H]1CCC[N@H+](CC)C1 ZINC000105093878 495335947 /nfs/dbraw/zinc/33/59/47/495335947.db2.gz LECFXFZGXLZIMN-SFHVURJKSA-N 2 0 360.546 3.060 20 0 FGADRP C[C@@H]([NH2+]Cc1ccc(-n2cncn2)cc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000124752782 495337899 /nfs/dbraw/zinc/33/78/99/495337899.db2.gz KXMRMGPBARMGSA-QGZVFWFLSA-N 2 0 365.481 3.059 20 0 FGADRP Brc1ccc2c(c1)[C@@H](N[C@@H]1CC[N@@H+]3CCC[C@@H]3C1)CCO2 ZINC000130135363 495346255 /nfs/dbraw/zinc/34/62/55/495346255.db2.gz SMIQQLCUZBINGF-FMKPAKJESA-N 2 0 351.288 3.489 20 0 FGADRP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)NCCCC[NH+]2CCCC[C@H]2C)C1 ZINC000124932674 495366453 /nfs/dbraw/zinc/36/64/53/495366453.db2.gz IPCONCZSEQZOJB-UXHICEINSA-N 2 0 366.594 3.308 20 0 FGADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)N[C@@H]1CCCc2sccc21 ZINC000136593784 495388976 /nfs/dbraw/zinc/38/89/76/495388976.db2.gz NPTMWPZDHLSFJQ-QGZVFWFLSA-N 2 0 366.575 3.041 20 0 FGADRP CC[NH+]1CCN([C@@H]2CC[N@H+](CCCOc3cccc(C(C)(C)C)c3)C2)CC1 ZINC000114563002 495392251 /nfs/dbraw/zinc/39/22/51/495392251.db2.gz JRLPLSDSYKTYRU-OAQYLSRUSA-N 2 0 373.585 3.465 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@@H+](CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)C1 ZINC000120644677 495425992 /nfs/dbraw/zinc/42/59/92/495425992.db2.gz YUYFCIHYTHWQDO-CALCHBBNSA-N 2 0 361.555 3.152 20 0 FGADRP COc1ccc(C[NH+]2CCC(C[NH2+][C@@H]3CCCc4c3cnn4C)CC2)cc1 ZINC000120690316 495435763 /nfs/dbraw/zinc/43/57/63/495435763.db2.gz WEURQIAJZZKTMJ-OAQYLSRUSA-N 2 0 368.525 3.308 20 0 FGADRP C[C@@H]1CCC[N@@H+]1C1CCN(C(=O)c2cccc(C[NH+]3CCCC3)c2)CC1 ZINC000125431926 495443032 /nfs/dbraw/zinc/44/30/32/495443032.db2.gz VZIHFVJXHJGCLG-GOSISDBHSA-N 2 0 355.526 3.371 20 0 FGADRP CC[NH+](CC)Cc1ccc(CNC(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)cc1 ZINC000106522516 495461764 /nfs/dbraw/zinc/46/17/64/495461764.db2.gz QOAOHUJKFRTMAP-HXUWFJFHSA-N 2 0 372.557 3.345 20 0 FGADRP COc1cc([C@H](C)[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)ccc1S(C)(=O)=O ZINC000125918056 495518735 /nfs/dbraw/zinc/51/87/35/495518735.db2.gz XWMOWYMUFPJKMD-KSSFIOAISA-N 2 0 370.559 3.116 20 0 FGADRP COc1cc([C@H](C)[NH2+][C@H](CC[NH+](C)C)C(C)(C)C)ccc1S(C)(=O)=O ZINC000125918481 495518809 /nfs/dbraw/zinc/51/88/09/495518809.db2.gz XWMOWYMUFPJKMD-KBXCAEBGSA-N 2 0 370.559 3.116 20 0 FGADRP CC[NH+]1CCN([C@@H]2CC[N@@H+]([C@@H](C)c3ccc(OC(F)F)cc3)C2)CC1 ZINC000107369738 495526236 /nfs/dbraw/zinc/52/62/36/495526236.db2.gz CQTWBNMYYGNLFX-DOTOQJQBSA-N 2 0 353.457 3.061 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)N(C)CCC[NH+](C)C)cc2)C1 ZINC000185353735 495544267 /nfs/dbraw/zinc/54/42/67/495544267.db2.gz FICFHFIJLMKZGV-KDURUIRLSA-N 2 0 374.573 3.258 20 0 FGADRP CCCC[NH+]1CCC(NC(=O)NCCCC[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000158666398 495561961 /nfs/dbraw/zinc/56/19/61/495561961.db2.gz MFABSYLYHKSFTH-OALUTQOASA-N 2 0 366.594 3.308 20 0 FGADRP Cc1ccc([C@H]2CCCCC[N@H+]2CC(=O)NC2CC[NH+](C(C)C)CC2)o1 ZINC000158667363 495562650 /nfs/dbraw/zinc/56/26/50/495562650.db2.gz KUGNKSIPXGXDCQ-LJQANCHMSA-N 2 0 361.530 3.494 20 0 FGADRP c1ccc(CN2CCO[C@H](C[NH2+]C3CC[NH+](C4CCCCC4)CC3)C2)cc1 ZINC000158669779 495563427 /nfs/dbraw/zinc/56/34/27/495563427.db2.gz RLESBUXCNGTRNS-HSZRJFAPSA-N 2 0 371.569 3.274 20 0 FGADRP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000176264076 495569625 /nfs/dbraw/zinc/56/96/25/495569625.db2.gz LLDPWCNVCBJFSH-QZTJIDSGSA-N 2 0 364.578 3.203 20 0 FGADRP CC[NH+]1CCN(CCC[NH2+][C@H](C)c2cccc(-c3ccncc3)c2)CC1 ZINC000154331960 495583243 /nfs/dbraw/zinc/58/32/43/495583243.db2.gz DEEKKMPLWJYAGJ-LJQANCHMSA-N 2 0 352.526 3.427 20 0 FGADRP CCOc1ccc(Cl)cc1[C@H](C)[NH2+]CCCC[NH+]1CCN(C)CC1 ZINC000154370435 495595885 /nfs/dbraw/zinc/59/58/85/495595885.db2.gz ZEPGHUZSUUCOLG-INIZCTEOSA-N 2 0 353.938 3.417 20 0 FGADRP C[C@H](NC(=O)NCC[N@H+](C)Cc1ccccc1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000182555553 495613302 /nfs/dbraw/zinc/61/33/02/495613302.db2.gz BJMBLGNECFZIRH-ICSRJNTNSA-N 2 0 372.557 3.071 20 0 FGADRP Cc1nc(-c2cccnc2)sc1[C@@H](C)NC[C@H](O)C[NH+]1CCC(C)CC1 ZINC000158945337 495621938 /nfs/dbraw/zinc/62/19/38/495621938.db2.gz UHBOWKXNMUUFEF-QAPCUYQASA-N 2 0 374.554 3.257 20 0 FGADRP CCC[NH+]1CCC(CNC(=O)N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)CC1 ZINC000182575350 495622548 /nfs/dbraw/zinc/62/25/48/495622548.db2.gz PTWXBUUHRQSWDT-PKOBYXMFSA-N 2 0 364.578 3.061 20 0 FGADRP Cc1ccc(Cl)c(OC[C@@H](O)C[NH+]2CCC(CCC[NH+](C)C)CC2)c1 ZINC000182591120 495627108 /nfs/dbraw/zinc/62/71/08/495627108.db2.gz FXIOUZSBRDOTGI-SFHVURJKSA-N 2 0 368.949 3.442 20 0 FGADRP C[C@H](C(=O)N1CCC[C@@H]1c1cccs1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150774268 495629893 /nfs/dbraw/zinc/62/98/93/495629893.db2.gz KAEPGJVWHMOFBF-KZNAEPCWSA-N 2 0 361.555 3.218 20 0 FGADRP CCN1CC[NH+](CCCC[NH2+][C@H](C)c2ccc(F)cc2OC(F)F)CC1 ZINC000154537807 495646819 /nfs/dbraw/zinc/64/68/19/495646819.db2.gz DGVDCVLCCIBXJD-OAHLLOKOSA-N 2 0 373.463 3.495 20 0 FGADRP Cc1ccc(OC[C@H](O)C[NH2+]C[C@@H]2CCCN(C)[C@H]2c2cccs2)cc1 ZINC000568858009 505794762 /nfs/dbraw/zinc/79/47/62/505794762.db2.gz YREKXBIURKFRAE-WAOWUJCRSA-N 2 0 374.550 3.469 20 0 FGADRP C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)[C@@]2(C)CC[NH2+]C2)cc1 ZINC000568862403 505795801 /nfs/dbraw/zinc/79/58/01/505795801.db2.gz MQKVEXPKCMMXOC-QFIPXVFZSA-N 2 0 351.494 3.031 20 0 FGADRP CC(C)C[C@@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)c1ccccn1 ZINC000159129472 495665441 /nfs/dbraw/zinc/66/54/41/495665441.db2.gz RVMQBRXCIBQWRR-HXUWFJFHSA-N 2 0 353.514 3.105 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC000176565180 495700942 /nfs/dbraw/zinc/70/09/42/495700942.db2.gz QAENTNUNZIWAGP-WCIQWLHISA-N 2 0 364.578 3.155 20 0 FGADRP C[C@@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1nc(-c2ccccc2)cs1 ZINC000150995763 495705912 /nfs/dbraw/zinc/70/59/12/495705912.db2.gz ARJJCTXGQALKLJ-MRXNPFEDSA-N 2 0 358.555 3.487 20 0 FGADRP C[C@H]([NH3+])c1ccc(CNC(=O)c2ccccc2CC2CC[NH2+]CC2)cc1 ZINC000574548499 505799229 /nfs/dbraw/zinc/79/92/29/505799229.db2.gz DEAWDUYUVGKWQJ-INIZCTEOSA-N 2 0 351.494 3.178 20 0 FGADRP CC[NH+](CC)[C@@H](C(=O)NC[C@H](C)C[NH2+]C)c1cccc(C(F)(F)F)c1 ZINC000154794332 495730244 /nfs/dbraw/zinc/73/02/44/495730244.db2.gz SKXDUNCLLVDTOT-CZUORRHYSA-N 2 0 359.436 3.060 20 0 FGADRP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)CC(=O)N(C)Cc2ccccc2Cl)C1 ZINC000151127359 495746353 /nfs/dbraw/zinc/74/63/53/495746353.db2.gz XEYQUTZCJKMYRF-IRXDYDNUSA-N 2 0 365.949 3.399 20 0 FGADRP CC(C)[NH2+]C1CCN(Cc2ccccc2N(C)C2CC[NH+](C)CC2)CC1 ZINC000179835320 495753349 /nfs/dbraw/zinc/75/33/49/495753349.db2.gz MVZIIYBJOAGEMN-UHFFFAOYSA-N 2 0 358.574 3.179 20 0 FGADRP Fc1cc2cccnc2c(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)c1 ZINC000173946563 495757462 /nfs/dbraw/zinc/75/74/62/495757462.db2.gz CVVGWHXZSSRXAR-UHFFFAOYSA-N 2 0 357.473 3.451 20 0 FGADRP C[C@@H]([NH2+]Cc1ccccc1C[NH2+][C@@H](C)C1CCOCC1)C1CCOCC1 ZINC000179852061 495758915 /nfs/dbraw/zinc/75/89/15/495758915.db2.gz OMBLQLRPLUOUEY-HDICACEKSA-N 2 0 360.542 3.496 20 0 FGADRP CC[C@@H](c1ccc(Br)cc1)[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000182956780 495774571 /nfs/dbraw/zinc/77/45/71/495774571.db2.gz QSUHNMSWPRXYEN-SFHVURJKSA-N 2 0 368.363 3.470 20 0 FGADRP O=c1[nH]c2ccccc2cc1C[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000182956776 495775076 /nfs/dbraw/zinc/77/50/76/495775076.db2.gz RAVBZCUJQLQHSV-UHFFFAOYSA-N 2 0 369.509 3.265 20 0 FGADRP C[C@@H]([NH2+][C@@H](C)CN1CC[NH+](C)CC1)C(c1ccccc1)c1ccccc1 ZINC000155047996 495816833 /nfs/dbraw/zinc/81/68/33/495816833.db2.gz GMADOEBROLTMPQ-VQTJNVASSA-N 2 0 351.538 3.433 20 0 FGADRP c1nn(-c2ccncc2)c2ncnc(NC[C@H]3CC34CCSCC4)c12 ZINC000577855760 505805711 /nfs/dbraw/zinc/80/57/11/505805711.db2.gz UURDWZKIJCFQDN-CYBMUJFWSA-N 2 0 352.467 3.156 20 0 FGADRP COc1ccc2c(C[NH+]3CCC(C[NH+]4CCCC4)CC3)cc(=O)oc2c1 ZINC000171389222 495852124 /nfs/dbraw/zinc/85/21/24/495852124.db2.gz CHRKBPQDUBACLM-UHFFFAOYSA-N 2 0 356.466 3.109 20 0 FGADRP C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)[C@@H]1c1ccccc1 ZINC000180198086 495902231 /nfs/dbraw/zinc/90/22/31/495902231.db2.gz LESCQYBXQRKXJK-GIVPXCGWSA-N 2 0 355.526 3.203 20 0 FGADRP C[N@@H+]1CC[C@H](NC(=O)c2cccc(C[NH+]3CCCC3)c2)[C@@H]1c1ccccc1 ZINC000180201316 495903657 /nfs/dbraw/zinc/90/36/57/495903657.db2.gz HLVRCDYJWVQJQF-VXKWHMMOSA-N 2 0 363.505 3.458 20 0 FGADRP C[C@@H](C[NH2+]CC(c1ccccc1)c1ccccc1)CN1CC[NH+](C)CC1 ZINC000180233200 495917956 /nfs/dbraw/zinc/91/79/56/495917956.db2.gz KJURNVXIFWMEFL-FQEVSTJZSA-N 2 0 351.538 3.292 20 0 FGADRP CC[C@H]([NH2+]CC1CC[NH+](CCO)CC1)c1ccccc1Br ZINC000151891431 495983837 /nfs/dbraw/zinc/98/38/37/495983837.db2.gz RPTHMJJZJVVYIE-KRWDZBQOSA-N 2 0 355.320 3.194 20 0 FGADRP Cc1ncc([C@@H](C)[NH2+]CCCN2CC[N@H+](C)C[C@@H]2c2ccccc2)c(C)n1 ZINC000151893030 495984188 /nfs/dbraw/zinc/98/41/88/495984188.db2.gz AWUNYDMIWHHNOA-VGOFRKELSA-N 2 0 367.541 3.123 20 0 FGADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H](C)c2cc(C)ccc2OC(F)F)CC1 ZINC000155581354 496002231 /nfs/dbraw/zinc/00/22/31/496002231.db2.gz CLVOWCZRANWIAB-CVEARBPZSA-N 2 0 355.473 3.273 20 0 FGADRP COc1ccc([C@H]([NH2+][C@@H](C)CN2CC[NH+](C)CC2)c2ccccc2)cc1 ZINC000180496699 496021370 /nfs/dbraw/zinc/02/13/70/496021370.db2.gz RVGALXNQHUBCQD-PGRDOPGGSA-N 2 0 353.510 3.010 20 0 FGADRP C[C@@H](C[NH2+][C@@H](C)CCN1CC[NH+](C)CC1)c1cccc(Br)c1 ZINC000186596183 496064964 /nfs/dbraw/zinc/06/49/64/496064964.db2.gz MHCUXEKEMOULRX-HOTGVXAUSA-N 2 0 368.363 3.168 20 0 FGADRP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)[C@@H]2CCC[N@H+](Cc3cccc(F)c3)C2)C1 ZINC000177559969 496112263 /nfs/dbraw/zinc/11/22/63/496112263.db2.gz TZGVYWSMPRBWOK-MISYRCLQSA-N 2 0 361.505 3.027 20 0 FGADRP C[C@@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000152365447 496128348 /nfs/dbraw/zinc/12/83/48/496128348.db2.gz VXUSMXZXWAEDBQ-RDJZCZTQSA-N 2 0 363.933 3.151 20 0 FGADRP O=C(NCc1ccccc1-n1ccnc1)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000177693001 496160947 /nfs/dbraw/zinc/16/09/47/496160947.db2.gz JXCCVACHCHWOHB-GOSISDBHSA-N 2 0 352.482 3.143 20 0 FGADRP C[N@H+](C[C@H](O)COc1c(Cl)cccc1Cl)C[C@H]1CCC[NH+](C)C1 ZINC000152502243 496171294 /nfs/dbraw/zinc/17/12/94/496171294.db2.gz QZEIAVZXWDWHOD-KBPBESRZSA-N 2 0 361.313 3.007 20 0 FGADRP C[C@H](CC(=O)Nc1cccnc1Cl)[NH2+]CCC[NH+]1CCC(C)CC1 ZINC000161753615 496232152 /nfs/dbraw/zinc/23/21/52/496232152.db2.gz IOUZXHMRETYFPX-OAHLLOKOSA-N 2 0 352.910 3.164 20 0 FGADRP CC[NH+]1CCC(CC[NH2+]C[C@H](O)Cc2ccccc2C(F)(F)F)CC1 ZINC000574683985 505831291 /nfs/dbraw/zinc/83/12/91/505831291.db2.gz AUKVFCVWSVKCJO-QGZVFWFLSA-N 2 0 358.448 3.320 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)N2CCC[NH+](C3CCCC3)CC2)C1 ZINC000172542543 496336160 /nfs/dbraw/zinc/33/61/60/496336160.db2.gz HQVZQXCZISVYLE-KDURUIRLSA-N 2 0 364.578 3.014 20 0 FGADRP C[NH+]1CCN(CCC[NH2+][C@H]2CCCc3nc(-c4ccccc4)sc32)CC1 ZINC000162494987 496361844 /nfs/dbraw/zinc/36/18/44/496361844.db2.gz BOHQAJGHJQAXBP-SFHVURJKSA-N 2 0 370.566 3.415 20 0 FGADRP C[C@H]([NH2+]CCc1ccc2c(c1)OCCO2)c1ccc(OCC[NH+](C)C)cc1 ZINC000178204196 496368628 /nfs/dbraw/zinc/36/86/28/496368628.db2.gz YKAJVGRJIREWAM-KRWDZBQOSA-N 2 0 370.493 3.292 20 0 FGADRP CC(=O)Nc1cccc([C@@H](C)[NH2+]Cc2cccc(OCC[NH+](C)C)c2)c1 ZINC000162538301 496369616 /nfs/dbraw/zinc/36/96/16/496369616.db2.gz YNQXPLVVSGUYDT-MRXNPFEDSA-N 2 0 355.482 3.436 20 0 FGADRP C[C@@H]([NH2+]Cc1ccc2c(c1)OCCO2)c1ccc(OCC[NH+](C)C)cc1 ZINC000178208449 496370047 /nfs/dbraw/zinc/37/00/47/496370047.db2.gz XTGHGGYICXQSJX-MRXNPFEDSA-N 2 0 356.466 3.249 20 0 FGADRP C[C@H]1C[C@H]([NH2+]CCCN2CC[NH+](C)CC2)c2cccc(Br)c21 ZINC000162546391 496371603 /nfs/dbraw/zinc/37/16/03/496371603.db2.gz BHGOQRYECFXLAP-YOEHRIQHSA-N 2 0 366.347 3.225 20 0 FGADRP C[N@H+](CCN1CC[NH+](C2CC(OC(C)(C)C)C2)CC1)Cc1ccccc1 ZINC000580796433 505840070 /nfs/dbraw/zinc/84/00/70/505840070.db2.gz NCPFXJXCEIUZND-UHFFFAOYSA-N 2 0 359.558 3.082 20 0 FGADRP C[C@H]([NH2+]CCN1CCC([NH+](C)C)CC1)c1cc(Br)ccc1F ZINC000178289758 496399625 /nfs/dbraw/zinc/39/96/25/496399625.db2.gz INDGECGLOOWICG-ZDUSSCGKSA-N 2 0 372.326 3.265 20 0 FGADRP CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CC[NH+](C)CC3)nc2)C12CCCCC2 ZINC000181456264 496404203 /nfs/dbraw/zinc/40/42/03/496404203.db2.gz MTFJEAYIANZNAN-WOJBJXKFSA-N 2 0 372.557 3.051 20 0 FGADRP CCO[C@@H]1C[C@@H]([NH2+]Cc2ccnc(N3CC[NH+](C)CC3)c2)C12CCCCC2 ZINC000181516219 496428722 /nfs/dbraw/zinc/42/87/22/496428722.db2.gz DNKXOKAVRQHLMY-WOJBJXKFSA-N 2 0 372.557 3.051 20 0 FGADRP C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+]CCC[NH+]1CCCC1 ZINC000178411800 496446443 /nfs/dbraw/zinc/44/64/43/496446443.db2.gz ILDIFSRKDZNCFX-AWEZNQCLSA-N 2 0 368.319 3.242 20 0 FGADRP C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]CCC[NH+]1CCCC1 ZINC000178413827 496447071 /nfs/dbraw/zinc/44/70/71/496447071.db2.gz OTTRGKYVYDEIGB-MRXNPFEDSA-N 2 0 351.922 3.153 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)NC2CC[NH+](C3CCCC3)CC2)C1 ZINC000175607310 496462022 /nfs/dbraw/zinc/46/20/22/496462022.db2.gz WJVFJOCDFVIKAG-HDICACEKSA-N 2 0 364.578 3.061 20 0 FGADRP CC(C)N(CC[NH+](C)C)C(=O)NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000157456756 496480509 /nfs/dbraw/zinc/48/05/09/496480509.db2.gz WOEIXVLNMRREFE-IBGZPJMESA-N 2 0 374.573 3.400 20 0 FGADRP C[C@@H](NC(=O)c1ccccc1OCC[NH+](C)C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181662537 496491651 /nfs/dbraw/zinc/49/16/51/496491651.db2.gz DCFQTWXKEBKXHX-QZTJIDSGSA-N 2 0 373.541 3.010 20 0 FGADRP CCO[C@H]1C[C@@H]([NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)C12CCC2 ZINC000181707674 496510958 /nfs/dbraw/zinc/51/09/58/496510958.db2.gz JVPCDIOHDOFWLP-RTWAWAEBSA-N 2 0 358.526 3.081 20 0 FGADRP C[C@@H](C[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1)c1cccc(Br)c1 ZINC000574757108 505848748 /nfs/dbraw/zinc/84/87/48/505848748.db2.gz PWVMUIHIBUJNHU-VHSSKADRSA-N 2 0 367.331 3.381 20 0 FGADRP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157644827 496521551 /nfs/dbraw/zinc/52/15/51/496521551.db2.gz HCOZWWHFXSNNHL-WCIQWLHISA-N 2 0 364.578 3.013 20 0 FGADRP CCC[NH+]1CCC(CNC(=O)N2CCC[N@H+](Cc3ccccc3)CC2)CC1 ZINC000157698371 496533319 /nfs/dbraw/zinc/53/33/19/496533319.db2.gz MZQIGSBPSCXXRF-UHFFFAOYSA-N 2 0 372.557 3.026 20 0 FGADRP [NH3+][C@H]1CCCCCC[C@H]1C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000178688775 496541732 /nfs/dbraw/zinc/54/17/32/496541732.db2.gz GXIRGBHHKMWQKD-RTWAWAEBSA-N 2 0 357.542 3.107 20 0 FGADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000157766246 496549709 /nfs/dbraw/zinc/54/97/09/496549709.db2.gz DXLDIWINAHGDRI-UWJYYQICSA-N 2 0 366.509 3.390 20 0 FGADRP Cc1nn(C)cc1[C@@H](C)[NH2+][C@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000178758611 496561254 /nfs/dbraw/zinc/56/12/54/496561254.db2.gz AQFRZZASSCCMJM-HUUCEWRRSA-N 2 0 359.493 3.031 20 0 FGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+][C@@H](C)CCCOC)CC1 ZINC000178770660 496565562 /nfs/dbraw/zinc/56/55/62/496565562.db2.gz NYEPXGGOYJZHCL-DLBZAZTESA-N 2 0 351.510 3.433 20 0 FGADRP Cc1ccccc1C[NH+]1CCC(NC(=O)[C@@H]2CCCCCC[C@@H]2[NH3+])CC1 ZINC000164549214 496618065 /nfs/dbraw/zinc/61/80/65/496618065.db2.gz LMKFPAKNWDYPEH-RTWAWAEBSA-N 2 0 357.542 3.373 20 0 FGADRP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000574787379 505855436 /nfs/dbraw/zinc/85/54/36/505855436.db2.gz AJNDMITYUFCCDT-APWZRJJASA-N 2 0 374.554 3.171 20 0 FGADRP C[N@@H+](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)CC1CC[NH2+]CC1 ZINC000178955448 496628229 /nfs/dbraw/zinc/62/82/29/496628229.db2.gz OPPWCUZCRJGOTI-UHFFFAOYSA-N 2 0 363.811 3.229 20 0 FGADRP C[C@H]([NH2+]CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)c1ccc(Cl)cc1 ZINC000182012721 496634294 /nfs/dbraw/zinc/63/42/94/496634294.db2.gz CGMYYNMEJXOWIG-KXBFYZLASA-N 2 0 359.901 3.410 20 0 FGADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H]1CCc2cc(Br)ccc21 ZINC000165945928 496673425 /nfs/dbraw/zinc/67/34/25/496673425.db2.gz SKODXUIKBYXLSR-WBVHZDCISA-N 2 0 355.320 3.383 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc(OC)c(OC)c2)[C@H](C)C1 ZINC000173420273 496684732 /nfs/dbraw/zinc/68/47/32/496684732.db2.gz RDIKAWWXRGUYSO-AOIWGVFYSA-N 2 0 364.530 3.491 20 0 FGADRP C[C@@H](CC(=O)Nc1cccc(N2CCCC2)c1)[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000166444777 496686924 /nfs/dbraw/zinc/68/69/24/496686924.db2.gz AMLNBXHDIKTKSJ-FBBABVLZSA-N 2 0 370.541 3.220 20 0 FGADRP Brc1ccc(N2CC[C@H]([NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)C2)cc1 ZINC000166481563 496688390 /nfs/dbraw/zinc/68/83/90/496688390.db2.gz FKZLFSGRAOKMEU-SOLBZPMBSA-N 2 0 364.331 3.244 20 0 FGADRP COc1cc(Cl)c(C)cc1NC(=O)CC[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000158388849 496691485 /nfs/dbraw/zinc/69/14/85/496691485.db2.gz JIMHTPSFMVLGGK-SQWLQELKSA-N 2 0 367.921 3.304 20 0 FGADRP COc1cc(Cl)c(C)cc1NC(=O)CC[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000166768144 496692371 /nfs/dbraw/zinc/69/23/71/496692371.db2.gz QRADJZPRUZVCJG-LSDHHAIUSA-N 2 0 365.905 3.202 20 0 FGADRP CC[NH+](CC)Cc1ccc(CNC(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)cc1 ZINC000182252963 496720499 /nfs/dbraw/zinc/72/04/99/496720499.db2.gz FFPPJENXBFMHGQ-RTWAWAEBSA-N 2 0 372.557 3.154 20 0 FGADRP C[N@H+](Cc1ccccc1)CC(C)(C)NC(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000179248055 496720522 /nfs/dbraw/zinc/72/05/22/496720522.db2.gz VDXRYOPCOXFFSY-UHFFFAOYSA-N 2 0 372.557 3.071 20 0 FGADRP C[C@H]1C[NH+](C)C[C@H](C)N1C(=O)c1cccc(C[N@H+](C)Cc2ccccc2)c1 ZINC000179252192 496721100 /nfs/dbraw/zinc/72/11/00/496721100.db2.gz FTLHDMJOXUNGSX-OALUTQOASA-N 2 0 365.521 3.483 20 0 FGADRP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)N(C)CCC[NH+](C)C ZINC000185319653 496728650 /nfs/dbraw/zinc/72/86/50/496728650.db2.gz MJEAOTQUMPBRES-SFHVURJKSA-N 2 0 360.546 3.154 20 0 FGADRP C[C@@H]1C[N@@H+](CC2CC[NH+](CCCOCc3ccccc3)CC2)C[C@H](C)O1 ZINC000182315384 496729366 /nfs/dbraw/zinc/72/93/66/496729366.db2.gz JMAGTROZTJCCEY-BGYRXZFFSA-N 2 0 360.542 3.415 20 0 FGADRP CC[C@H](C(=O)Nc1ccc(OC)cc1)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246975931 496740475 /nfs/dbraw/zinc/74/04/75/496740475.db2.gz VQLCFCBNPFTUAB-DQLDELGASA-N 2 0 371.525 3.361 20 0 FGADRP COc1ccccc1[C@H](CNC(=O)CC1CC[NH+](C)CC1)[NH+]1CCCCC1 ZINC000273217849 496743172 /nfs/dbraw/zinc/74/31/72/496743172.db2.gz ORROKRUCADHJTI-FQEVSTJZSA-N 2 0 373.541 3.070 20 0 FGADRP CC(C)[NH+]1CCN(CCC[N@H+](C)Cc2ccccc2OC(F)(F)F)CC1 ZINC000191397633 496748684 /nfs/dbraw/zinc/74/86/84/496748684.db2.gz FGUOBDZWYYFZGY-UHFFFAOYSA-N 2 0 373.463 3.433 20 0 FGADRP CCN(C)c1ccc(C[NH+]2CCC(CC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)cn1 ZINC000191430413 496759636 /nfs/dbraw/zinc/75/96/36/496759636.db2.gz ZUGNKOYLJRIBTA-RTBURBONSA-N 2 0 374.573 3.249 20 0 FGADRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@@H](C)c1ccc(S(C)(=O)=O)c(OC)c1 ZINC000268727360 496767655 /nfs/dbraw/zinc/76/76/55/496767655.db2.gz KJRJDRIOUOAUMY-CVEARBPZSA-N 2 0 370.559 3.260 20 0 FGADRP COc1cccc2c1CCC[C@@H]2[NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000194957052 496774061 /nfs/dbraw/zinc/77/40/61/496774061.db2.gz NMFIGQMFXOCXHU-UGKGYDQZSA-N 2 0 366.505 3.429 20 0 FGADRP CCCn1ccnc1CCC[N@H+](C)Cc1nnc(-c2ccccc2OC)o1 ZINC000191473401 496774405 /nfs/dbraw/zinc/77/44/05/496774405.db2.gz RMYDDOPSQDGTRH-UHFFFAOYSA-N 2 0 369.469 3.416 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(NC(N)=O)cc1 ZINC000268782522 496783689 /nfs/dbraw/zinc/78/36/89/496783689.db2.gz UNHOCCAWRWDCBU-OXQOHEQNSA-N 2 0 352.482 3.177 20 0 FGADRP Cc1ncc([C@H](C)[NH2+]CCCC[NH+]2CCN(c3ccccc3)CC2)c(C)n1 ZINC000268804096 496790604 /nfs/dbraw/zinc/79/06/04/496790604.db2.gz LORASQAIQJWHMK-SFHVURJKSA-N 2 0 367.541 3.346 20 0 FGADRP CC[NH+]1CCC([NH2+]C[C@@H]2CCN(c3ccc(Br)cc3)C2)CC1 ZINC000268803984 496791118 /nfs/dbraw/zinc/79/11/18/496791118.db2.gz LIRFJQCRCRZKLQ-HNNXBMFYSA-N 2 0 366.347 3.349 20 0 FGADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@H](C)c1ccc(Br)cc1F ZINC000188485466 496806244 /nfs/dbraw/zinc/80/62/44/496806244.db2.gz ZUTSVMDOBPZMMN-ZIAGYGMSSA-N 2 0 372.326 3.265 20 0 FGADRP CC[C@H](C(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1)[N@H+](C)Cc1ccccc1 ZINC000574850099 505867983 /nfs/dbraw/zinc/86/79/83/505867983.db2.gz HBDAZBRCWQTNTA-NHCUHLMSSA-N 2 0 357.542 3.087 20 0 FGADRP Cc1ccc(C[C@@H](CO)[NH2+][C@@H](C)c2ccc(OCC[NH+](C)C)cc2)cc1 ZINC000191595030 496825001 /nfs/dbraw/zinc/82/50/01/496825001.db2.gz NOFRHDFYHKUACR-RXVVDRJESA-N 2 0 356.510 3.190 20 0 FGADRP C[NH+]1CCC(O)(C[NH2+][C@@H]2CCCOc3c(Cl)c(Cl)ccc32)CC1 ZINC000268959485 496835636 /nfs/dbraw/zinc/83/56/36/496835636.db2.gz FIQKALSRSXPJPS-CQSZACIVSA-N 2 0 359.297 3.253 20 0 FGADRP COc1cc([C@@H](C)[NH2+]CC2(O)CC[NH+](C)CC2)ccc1SC(F)F ZINC000268984079 496842821 /nfs/dbraw/zinc/84/28/21/496842821.db2.gz LAHKXNSLHKBUND-GFCCVEGCSA-N 2 0 360.470 3.117 20 0 FGADRP C[C@H]1CCC[N@H+](CCCCNC(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)C1 ZINC000247428780 496856967 /nfs/dbraw/zinc/85/69/67/496856967.db2.gz VXNKCEYNMOPAOS-VQTJNVASSA-N 2 0 364.578 3.158 20 0 FGADRP CC[NH+](CC)CCOc1ccc(NC(=O)C2CC[NH+](C3CC3)CC2)cc1 ZINC000195324941 496889154 /nfs/dbraw/zinc/88/91/54/496889154.db2.gz LSJUFALUPCVCFG-UHFFFAOYSA-N 2 0 359.514 3.220 20 0 FGADRP C[C@H]1CN(Cc2ccccn2)CC[C@H]1[NH2+]CCc1ccc2c(c1)CCO2 ZINC000247961203 496933480 /nfs/dbraw/zinc/93/34/80/496933480.db2.gz GFPOIHBFXULVLS-LAUBAEHRSA-N 2 0 351.494 3.059 20 0 FGADRP C[N@@H+]1CCC[C@H]2C[NH+](CCC(=O)Nc3ccc(Cl)cc3F)CC[C@H]21 ZINC000247981305 496938227 /nfs/dbraw/zinc/93/82/27/496938227.db2.gz IJROFDQZWVHDDC-SUMWQHHRSA-N 2 0 353.869 3.224 20 0 FGADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H]1C[C@H](C)c2c1cccc2Br ZINC000247986011 496938352 /nfs/dbraw/zinc/93/83/52/496938352.db2.gz IUQQWSIOJDMWTO-JJRVBVJISA-N 2 0 366.347 3.223 20 0 FGADRP C[N@@H+]1CC[C@H](NC(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)[C@@H]1c1ccccc1 ZINC000248074720 496952688 /nfs/dbraw/zinc/95/26/88/496952688.db2.gz QXKCZTLTOSSMTP-HKBOAZHASA-N 2 0 370.541 3.092 20 0 FGADRP C[NH+](C)Cc1c2ccccc2oc1C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000248146950 496963321 /nfs/dbraw/zinc/96/33/21/496963321.db2.gz QHWSHYALYNUSKE-MAUKXSAKSA-N 2 0 355.482 3.051 20 0 FGADRP c1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH2+]C[C@H]4CC[NH+](C5CC5)C4)[C@@H]3C2)cc1 ZINC000248408781 496999027 /nfs/dbraw/zinc/99/90/27/496999027.db2.gz VWQRCBDBJJCKRV-SKWRMQMOSA-N 3 0 353.554 3.361 20 0 FGADRP Cc1nn(C)c(C)c1C[C@H](C)[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000248409240 497001456 /nfs/dbraw/zinc/00/14/56/497001456.db2.gz FVVMZCTVRZRYIV-ZOGZYCIHSA-N 2 0 366.553 3.468 20 0 FGADRP C[C@@H]([NH2+]CCOCC[NH+](C)C)c1cc2cc(Br)ccc2o1 ZINC000219310378 497008502 /nfs/dbraw/zinc/00/85/02/497008502.db2.gz PCQKJWJHQAUASJ-GFCCVEGCSA-N 2 0 355.276 3.424 20 0 FGADRP CCO[C@@H]1C[C@H]([NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H]2CO)C12CCC2 ZINC000248430994 497009278 /nfs/dbraw/zinc/00/92/78/497009278.db2.gz BYJSDVYKYWOMKV-PCCBWWKXSA-N 2 0 358.526 3.081 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2ccc(NC(C)=O)cc2)[C@@H](C)C1 ZINC000248454609 497017904 /nfs/dbraw/zinc/01/79/04/497017904.db2.gz RBTGVCJTVDZCBB-FVJLSDCUSA-N 2 0 361.530 3.433 20 0 FGADRP CC(C)n1cc([C@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H]2CO)cn1 ZINC000248458465 497018605 /nfs/dbraw/zinc/01/86/05/497018605.db2.gz USIUJNQYVQCUAA-UWJYYQICSA-N 2 0 356.514 3.272 20 0 FGADRP Cc1cnccc1CC[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000269941121 497029335 /nfs/dbraw/zinc/02/93/35/497029335.db2.gz FMRUZXMUGTUFAO-UHFFFAOYSA-N 2 0 352.526 3.253 20 0 FGADRP C[C@H]([NH2+]C[C@@H](O)COc1ccccc1Cl)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248584268 497048669 /nfs/dbraw/zinc/04/86/69/497048669.db2.gz PMHBHDDFSJMMFT-XYJFISCASA-N 2 0 366.933 3.322 20 0 FGADRP OC[C@@H](Cc1ccccc1)[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000248589935 497049969 /nfs/dbraw/zinc/04/99/69/497049969.db2.gz ZAOOYBFBWIMFTH-WBADGQHESA-N 2 0 350.506 3.090 20 0 FGADRP CCc1ccccc1C[NH+]1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000189262964 497063608 /nfs/dbraw/zinc/06/36/08/497063608.db2.gz VGAPCRYPLJPNRT-UHFFFAOYSA-N 2 0 371.569 3.453 20 0 FGADRP COc1ccc([C@@H](CNC(=O)C[N@H+](C)C(C)(C)C)[NH+]2CCCCC2)cc1 ZINC000574914798 505882653 /nfs/dbraw/zinc/88/26/53/505882653.db2.gz KTMMMBSAHNHAHB-LJQANCHMSA-N 2 0 361.530 3.069 20 0 FGADRP CC1(C)[C@H]([NH2+]C[C@@H]2CN(Cc3ccccc3)CCCO2)[C@H]2CCCO[C@H]21 ZINC000248835235 497113986 /nfs/dbraw/zinc/11/39/86/497113986.db2.gz NDPBQSUUJISSPS-XRXFAXGQSA-N 2 0 358.526 3.071 20 0 FGADRP COc1cccc2c1CC[C@@H]([NH2+]CC1(N3CCCCC3)CC[NH+](C)CC1)C2 ZINC000192443711 497116535 /nfs/dbraw/zinc/11/65/35/497116535.db2.gz CZKDONIZDKFKHL-HXUWFJFHSA-N 2 0 371.569 3.092 20 0 FGADRP C[C@@H](C(=O)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1)[C@@H]([NH3+])c1ccccc1 ZINC000236628923 497123432 /nfs/dbraw/zinc/12/34/32/497123432.db2.gz UOYRAHYRBUROBF-SFHLNBCPSA-N 2 0 357.542 3.293 20 0 FGADRP CC1CC[NH+](Cc2ccccc2CNC(=O)[C@@H](C[NH3+])c2ccccc2)CC1 ZINC000236630185 497123731 /nfs/dbraw/zinc/12/37/31/497123731.db2.gz BXVDCKKWQXPGJI-QFIPXVFZSA-N 2 0 365.521 3.277 20 0 FGADRP C[C@@H]([NH2+][C@@H](C)CCN1CC[NH+](C)CC1)c1cc(Cl)c(N)c(Cl)c1 ZINC000274638599 497135565 /nfs/dbraw/zinc/13/55/65/497135565.db2.gz QMOWEQUIDHJNFT-QWHCGFSZSA-N 2 0 359.345 3.252 20 0 FGADRP C[NH+]1CCC(O)(C[NH2+][C@@H]2CCc3c2cc(Br)cc3Cl)CC1 ZINC000270515582 497143263 /nfs/dbraw/zinc/14/32/63/497143263.db2.gz YICTVFLLQVCHRT-OAHLLOKOSA-N 2 0 373.722 3.136 20 0 FGADRP CN(c1ccccc1C[NH2+]CC1CC[NH+](C2CC2)CC1)C1CC[NH+](C)CC1 ZINC000278536014 497146186 /nfs/dbraw/zinc/14/61/86/497146186.db2.gz WBKWVPHNKZOZMU-UHFFFAOYSA-N 3 0 370.585 3.181 20 0 FGADRP C[C@@H]([NH2+]CCN1CCC([NH+](C)C)CC1)c1cc(Cl)c(N)c(Cl)c1 ZINC000270537122 497147015 /nfs/dbraw/zinc/14/70/15/497147015.db2.gz WMIYBJXEAOZCCP-GFCCVEGCSA-N 2 0 359.345 3.252 20 0 FGADRP C[C@H](CC[NH+](C)C)NC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000265704778 497164391 /nfs/dbraw/zinc/16/43/91/497164391.db2.gz AKLCGSKPTKZZNO-GGPKGHCWSA-N 2 0 360.546 3.021 20 0 FGADRP CC(C)[NH+]1CCN(CCC[N@@H+]2[C@H](C)CO[C@@H](c3ccccc3)[C@H]2C)CC1 ZINC000249286499 497187540 /nfs/dbraw/zinc/18/75/40/497187540.db2.gz OMUZSQKTERXZIM-KCZVDYSFSA-N 2 0 359.558 3.253 20 0 FGADRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CCC(=O)NC1CCCC1 ZINC000249301420 497190391 /nfs/dbraw/zinc/19/03/91/497190391.db2.gz NPWWMEZTFYWNIN-OEWRPIJISA-N 2 0 357.542 3.182 20 0 FGADRP COc1cc(C)c([C@@H](C)[NH2+]CCCN2CC[NH+](C(C)C)CC2)cc1OC ZINC000192786395 497214077 /nfs/dbraw/zinc/21/40/77/497214077.db2.gz ZTKOROHVRXIAOF-GOSISDBHSA-N 2 0 363.546 3.079 20 0 FGADRP Cc1ccccc1C[NH+]1CCC(NC(=O)C[C@H](C)[C@@H]2CCC[NH2+]C2)CC1 ZINC000237400744 497230661 /nfs/dbraw/zinc/23/06/61/497230661.db2.gz OTOWIBJWGYMCCI-RBUKOAKNSA-N 2 0 357.542 3.101 20 0 FGADRP C[C@H](C(=O)Nc1ccc(C[NH3+])cc1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000237407410 497231916 /nfs/dbraw/zinc/23/19/16/497231916.db2.gz ALPJSTIIUMAOIZ-QGZVFWFLSA-N 2 0 351.494 3.427 20 0 FGADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)CCC2CC[NH2+]CC2)cc1 ZINC000237524101 497249967 /nfs/dbraw/zinc/24/99/67/497249967.db2.gz JTIBEDAVCPXWLU-SFHVURJKSA-N 2 0 357.542 3.457 20 0 FGADRP Cc1ccccc1C[NH+]1CCC(NC(=O)C[C@@H](C)C2CC[NH2+]CC2)CC1 ZINC000237599625 497261547 /nfs/dbraw/zinc/26/15/47/497261547.db2.gz HSQJXUNTFFYPGV-GOSISDBHSA-N 2 0 357.542 3.101 20 0 FGADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1cc2cccc(Cl)c2s1 ZINC000572123022 505895304 /nfs/dbraw/zinc/89/53/04/505895304.db2.gz ZTFSSPFLAOOTQQ-UHFFFAOYSA-N 2 0 353.919 3.120 20 0 FGADRP O=C([C@H]1CCC[N@H+](Cc2ccccc2)C1)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000250652483 497269247 /nfs/dbraw/zinc/26/92/47/497269247.db2.gz RFTPKPBETZRLOU-VXKWHMMOSA-N 2 0 369.553 3.376 20 0 FGADRP C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)[C@@H]([NH3+])c2ccccc2)C1 ZINC000237671718 497273907 /nfs/dbraw/zinc/27/39/07/497273907.db2.gz FEOMGBFDJQOGCJ-UWJYYQICSA-N 2 0 351.494 3.235 20 0 FGADRP [NH3+][C@H](CC(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1)c1ccccc1 ZINC000237859569 497303994 /nfs/dbraw/zinc/30/39/94/497303994.db2.gz JMYVXIDRLQATOM-VQIMIIECSA-N 2 0 357.523 3.166 20 0 FGADRP Cc1ccc([C@H](CNC(=O)CC[C@H]([NH3+])c2ccccc2)[NH+]2CCCC2)o1 ZINC000237916443 497313775 /nfs/dbraw/zinc/31/37/75/497313775.db2.gz FRWMBHNBRPPHDN-OALUTQOASA-N 2 0 355.482 3.321 20 0 FGADRP CC(C)(C)c1cnc(CNCc2ccccc2C[N@@H+]2CC[C@H](O)C2)s1 ZINC000279056803 497318759 /nfs/dbraw/zinc/31/87/59/497318759.db2.gz DUYOYWZTDPECEC-KRWDZBQOSA-N 2 0 359.539 3.297 20 0 FGADRP O=C(Nc1ccc(CC[NH+]2CCSCC2)cc1)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000237968480 497321296 /nfs/dbraw/zinc/32/12/96/497321296.db2.gz RAJSUEHUAKSNKV-IHPCNDPISA-N 2 0 373.566 3.137 20 0 FGADRP CC(=O)Nc1ccc(C[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)cn1 ZINC000279142901 497347582 /nfs/dbraw/zinc/34/75/82/497347582.db2.gz SAXFQLWGSBNCLB-PCCBWWKXSA-N 2 0 364.493 3.040 20 0 FGADRP C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000245392769 497383153 /nfs/dbraw/zinc/38/31/53/497383153.db2.gz URKLHCNEROXYHH-ROUUACIJSA-N 2 0 364.578 3.061 20 0 FGADRP CC[N@H+](C)C[C@@H]1CCN(CC(=O)N(C)[C@H](C)c2ccc(Cl)cc2)C1 ZINC000245450952 497414124 /nfs/dbraw/zinc/41/41/24/497414124.db2.gz PBGIHKHRNBQCLJ-CVEARBPZSA-N 2 0 351.922 3.133 20 0 FGADRP C[NH+](C)CCc1ccccc1NC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000275725321 497414821 /nfs/dbraw/zinc/41/48/21/497414821.db2.gz WOINCEDMPZZKEX-HXUWFJFHSA-N 2 0 366.509 3.187 20 0 FGADRP C[NH+](C)CCNC(=O)c1cccc(C[NH2+][C@@H](c2ccc(F)cc2)C2CC2)c1 ZINC000271707731 497424609 /nfs/dbraw/zinc/42/46/09/497424609.db2.gz MIYVOUFUZRJQBP-OAQYLSRUSA-N 2 0 369.484 3.358 20 0 FGADRP Ic1ccc([C@@H]2CCCN2C[C@@H]2CCC[NH2+]C2)cc1 ZINC000261658859 497428557 /nfs/dbraw/zinc/42/85/57/497428557.db2.gz BNMYMGGWXNMEIJ-CJNGLKHVSA-N 2 0 370.278 3.428 20 0 FGADRP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)[C@H]1CC12CC[NH2+]CC2 ZINC000261893775 497469940 /nfs/dbraw/zinc/46/99/40/497469940.db2.gz CNSCVAMSUQNALV-FXAWDEMLSA-N 2 0 355.526 3.067 20 0 FGADRP CC[NH+]1CCC(C[NH2+]CCC(=O)Nc2ccc(Br)cc2)CC1 ZINC000575040206 505909833 /nfs/dbraw/zinc/90/98/33/505909833.db2.gz PBHPZVYWUIVUOO-UHFFFAOYSA-N 2 0 368.319 3.099 20 0 FGADRP CCc1ccc([C@H]2C[NH2+]CCN2C(=O)c2cccc(C[NH+](C)C)c2)cc1 ZINC000261976736 497486309 /nfs/dbraw/zinc/48/63/09/497486309.db2.gz NSYRCCPCXNCUEU-OAQYLSRUSA-N 2 0 351.494 3.097 20 0 FGADRP C[NH2+]CCC1CC[NH+](CCC(=O)Nc2cccc(C(F)(F)F)c2)CC1 ZINC000262016847 497492300 /nfs/dbraw/zinc/49/23/00/497492300.db2.gz WHPZXZOEOKYLBV-UHFFFAOYSA-N 2 0 357.420 3.356 20 0 FGADRP C[NH2+]CCC1CC[NH+]([C@H](C)C(=O)Nc2cccc(Br)c2)CC1 ZINC000262017508 497494123 /nfs/dbraw/zinc/49/41/23/497494123.db2.gz WUGNKPOMYKCZLW-CYBMUJFWSA-N 2 0 368.319 3.098 20 0 FGADRP C[NH2+]CCC1CC[NH+]([C@@H](C)C(=O)Nc2cccc(Br)c2)CC1 ZINC000262017510 497494159 /nfs/dbraw/zinc/49/41/59/497494159.db2.gz WUGNKPOMYKCZLW-ZDUSSCGKSA-N 2 0 368.319 3.098 20 0 FGADRP C[N@H+](Cc1ccccc1)CC(C)(C)NC(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000578304803 505910685 /nfs/dbraw/zinc/91/06/85/505910685.db2.gz QTMUYNBIQZCANG-UHFFFAOYSA-N 2 0 366.509 3.364 20 0 FGADRP Cc1cc(C(C)(C)C)ccc1OC[C@@H](O)C[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000575052636 505910867 /nfs/dbraw/zinc/91/08/67/505910867.db2.gz DXFUPSJRXNOOHB-FQEVSTJZSA-N 2 0 362.558 3.495 20 0 FGADRP Cc1cc(C(C)(C)C)ccc1OC[C@H](O)C[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000575052641 505910935 /nfs/dbraw/zinc/91/09/35/505910935.db2.gz DXFUPSJRXNOOHB-HXUWFJFHSA-N 2 0 362.558 3.495 20 0 FGADRP C[NH+](C)[C@H](CNC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1)c1ccccc1 ZINC000245693049 497504403 /nfs/dbraw/zinc/50/44/03/497504403.db2.gz XQOYADFHOWSZLY-NJYVYQBISA-N 2 0 366.509 3.034 20 0 FGADRP C[C@H](C[NH2+][C@H](C)CCc1ccc(C(F)(F)F)cc1)CN1CC[NH+](C)CC1 ZINC000193981295 497539194 /nfs/dbraw/zinc/53/91/94/497539194.db2.gz LSPABZASFHUBKJ-IAGOWNOFSA-N 2 0 371.491 3.500 20 0 FGADRP C[C@H]([NH2+]C1(CNC(=O)c2csc(CC[NH3+])n2)CCCC1)c1ccccc1 ZINC000262319105 497539858 /nfs/dbraw/zinc/53/98/58/497539858.db2.gz CBWSUJKYMYWEFU-HNNXBMFYSA-N 2 0 372.538 3.038 20 0 FGADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](c1ccc(Br)s1)C1CC1 ZINC000190602962 497541388 /nfs/dbraw/zinc/54/13/88/497541388.db2.gz VSTSRJNJXNWRDC-MLGOLLRUSA-N 2 0 372.376 3.187 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)[C@@H](C)C1C[NH2+]C1)c1ccc(C(F)(F)F)cc1 ZINC000262378330 497546863 /nfs/dbraw/zinc/54/68/63/497546863.db2.gz MRIOSSFNYYZOPT-GUYCJALGSA-N 2 0 371.447 3.060 20 0 FGADRP C[NH+]1CCN(C[C@@H]([NH2+][C@@H]2CCCc3ccc(O)cc32)c2ccccc2)CC1 ZINC000569344784 505913392 /nfs/dbraw/zinc/91/33/92/505913392.db2.gz CDBJLFHYFAKEBB-DHIUTWEWSA-N 2 0 365.521 3.348 20 0 FGADRP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)NCC1=CC[NH+](C)CC1 ZINC000272150348 497549145 /nfs/dbraw/zinc/54/91/45/497549145.db2.gz ZZNQGLXPLPOLKH-SFHVURJKSA-N 2 0 370.541 3.122 20 0 FGADRP C[C@H]1CCC[N@H+](CCCCNC(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)C1 ZINC000245894260 497563399 /nfs/dbraw/zinc/56/33/99/497563399.db2.gz CUHLVYAZQNQREL-VQTJNVASSA-N 2 0 364.578 3.158 20 0 FGADRP Cc1c([C@@H](C)[NH2+]CCCN2CCN(c3cc[nH+]cc3)CC2)cnn1C(C)C ZINC000276444263 497575625 /nfs/dbraw/zinc/57/56/25/497575625.db2.gz YKDYFPMUEQAEAF-GOSISDBHSA-N 2 0 370.545 3.030 20 0 FGADRP C[C@@H]1C[C@@H]([NH2+]CCCC[NH+]2CCN(Cc3ccccc3)CC2)C[C@H](C)O1 ZINC000245943174 497579825 /nfs/dbraw/zinc/57/98/25/497579825.db2.gz VHJBIWGSUCDNBN-VTYHHJSWSA-N 2 0 359.558 3.130 20 0 FGADRP Cc1ccc([C@H]([NH3+])C(=O)Nc2cccc(C[NH+]3CCSCC3)c2C)cc1 ZINC000262622061 497585335 /nfs/dbraw/zinc/58/53/35/497585335.db2.gz FGSDJNGPNUHUJA-FQEVSTJZSA-N 2 0 369.534 3.491 20 0 FGADRP CC[NH+](CC)CCOc1ccc(NC(=O)[C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)cc1 ZINC000262630336 497587892 /nfs/dbraw/zinc/58/78/92/497587892.db2.gz FQOYZKVAHCACBI-AHRSYUTCSA-N 2 0 359.514 3.266 20 0 FGADRP [NH3+]CCCCCCC(=O)Nc1cccc(NC(=O)C[NH+]2CCCCCC2)c1 ZINC000262643851 497590108 /nfs/dbraw/zinc/59/01/08/497590108.db2.gz MHTNPDZVTUWISK-UHFFFAOYSA-N 2 0 374.529 3.349 20 0 FGADRP C[C@H](C(=O)NCC(C)(C)[N@@H+]1CCc2ccccc2C1)[C@H]([NH3+])c1ccccc1 ZINC000262677350 497597692 /nfs/dbraw/zinc/59/76/92/497597692.db2.gz UNQGDWOERATGLM-UWJYYQICSA-N 2 0 365.521 3.276 20 0 FGADRP COc1cc(C[NH2+]Cc2ccc(CN3CC[NH+](C)CC3)cc2)ccc1C ZINC000194211829 497603413 /nfs/dbraw/zinc/60/34/13/497603413.db2.gz MMUWODZFBOKNRV-UHFFFAOYSA-N 2 0 353.510 3.041 20 0 FGADRP CC[NH+]1CCN(Cc2ccccc2C[NH2+]Cc2ccc(C)c(OC)c2)CC1 ZINC000194216648 497604877 /nfs/dbraw/zinc/60/48/77/497604877.db2.gz CMIDOWLAPQYLBN-UHFFFAOYSA-N 2 0 367.537 3.431 20 0 FGADRP Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]CC1(O)CC[NH+](C(C)C)CC1)CC3 ZINC000272358884 497606823 /nfs/dbraw/zinc/60/68/23/497606823.db2.gz FDPXGHQALCGFJG-KRWDZBQOSA-N 2 0 355.526 3.159 20 0 FGADRP C[NH+](C)CCc1ccc(C(=O)NC2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000578336290 505917444 /nfs/dbraw/zinc/91/74/44/505917444.db2.gz BAUNUUFABLEOBJ-UHFFFAOYSA-N 2 0 357.542 3.318 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc2cc[nH]c2c1 ZINC000194289204 497624960 /nfs/dbraw/zinc/62/49/60/497624960.db2.gz PDCYPXPVUCKARV-GOSISDBHSA-N 2 0 357.502 3.048 20 0 FGADRP CC(C)[NH2+]C1CCN(C(=O)N[C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000272532331 497654146 /nfs/dbraw/zinc/65/41/46/497654146.db2.gz OXZDRZCCSABTGM-AZUAARDMSA-N 2 0 372.557 3.069 20 0 FGADRP Brc1cccc(N2CC[C@H]([NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)C2)c1 ZINC000268144585 497686664 /nfs/dbraw/zinc/68/66/64/497686664.db2.gz QLYRXNKTUQVXHP-SOLBZPMBSA-N 2 0 364.331 3.244 20 0 FGADRP CC(C)Cc1ccc([C@H](CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)[NH+](C)C)cc1 ZINC000581162975 505923802 /nfs/dbraw/zinc/92/38/02/505923802.db2.gz HXSXUTGORYJMAT-YYWHXJBOSA-N 2 0 359.558 3.334 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)N(C)[C@H]1CC[N@H+](CC)C[C@@H]1C)c1ccco1 ZINC000246369145 497709141 /nfs/dbraw/zinc/70/91/41/497709141.db2.gz HFDXRQWAJZELAB-BZSNNMDCSA-N 2 0 364.534 3.034 20 0 FGADRP C[C@H]1CC[N@H+](CCOc2ccc(NC(=O)CCC3CC[NH2+]CC3)cc2)C1 ZINC000263169129 497722870 /nfs/dbraw/zinc/72/28/70/497722870.db2.gz FNADFPMSFNJZKX-KRWDZBQOSA-N 2 0 359.514 3.126 20 0 FGADRP C[C@@H]1C[C@H](N(C)C(=O)[C@H]2CCCC[C@@]2(C)[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000263173540 497723747 /nfs/dbraw/zinc/72/37/47/497723747.db2.gz GAOHCAHYCPELCV-JWUVWSEFSA-N 2 0 357.542 3.406 20 0 FGADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCN(Cc3ccccn3)C[C@H]2C)C1 ZINC000246444621 497735771 /nfs/dbraw/zinc/73/57/71/497735771.db2.gz OUAQAIAZYQUKQE-KCZVDYSFSA-N 2 0 358.574 3.250 20 0 FGADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N2CCC[C@@H]([NH+](C)C)C2)cc1 ZINC000246500475 497754546 /nfs/dbraw/zinc/75/45/46/497754546.db2.gz TZELNWWDHFQUAI-GHTZIAJQSA-N 2 0 372.557 3.297 20 0 FGADRP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)[C@H]2CCC[N@H+](Cc3cccc(F)c3)C2)C1 ZINC000246509057 497757956 /nfs/dbraw/zinc/75/79/56/497757956.db2.gz TZGVYWSMPRBWOK-YSIASYRMSA-N 2 0 361.505 3.027 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCOc2ccccc2Cl)[C@@H](C)C1 ZINC000246508325 497757968 /nfs/dbraw/zinc/75/79/68/497757968.db2.gz TYKJOGXDPAKYLF-WMZOPIPTSA-N 2 0 354.922 3.445 20 0 FGADRP CC1CC[NH+](C2CCC(NC(=O)N(C)[C@H]3CC[N@H+](C)C[C@H]3C)CC2)CC1 ZINC000246512592 497759156 /nfs/dbraw/zinc/75/91/56/497759156.db2.gz INKQQJSJXVOLSY-OAHAVBBTSA-N 2 0 364.578 3.011 20 0 FGADRP O=C(Nc1ccc(OCC[NH+]2CCCCC2)cc1)C1CC[NH+](C2CC2)CC1 ZINC000194771626 497765712 /nfs/dbraw/zinc/76/57/12/497765712.db2.gz QMCTZGVWTMHWSY-UHFFFAOYSA-N 2 0 371.525 3.364 20 0 FGADRP C[N@@H+]1CCCN(CCC[NH2+][C@H]2CCc3ccc(OC(F)(F)F)cc32)CC1 ZINC000246849573 497816231 /nfs/dbraw/zinc/81/62/31/497816231.db2.gz BKBYWWBPYUHEEX-SFHVURJKSA-N 2 0 371.447 3.190 20 0 FGADRP C[C@@H]([NH2+]CCCC[N@@H+]1CCCC[C@H]1C)c1ccc(S(C)(=O)=O)cc1 ZINC000246900632 497819363 /nfs/dbraw/zinc/81/93/63/497819363.db2.gz FVNMYRJWFJZMAX-IAGOWNOFSA-N 2 0 352.544 3.395 20 0 FGADRP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+][C@H](C[C@H]1CCOC1)c1ccc(F)cc1 ZINC000292182948 497913016 /nfs/dbraw/zinc/91/30/16/497913016.db2.gz OQHONDCBOFCBKM-JRGCBEDISA-N 2 0 364.505 3.120 20 0 FGADRP C[C@@H]1CCC[N@H+](CCCC[NH2+][C@@H]2CCS(=O)(=O)c3c(F)cccc32)C1 ZINC000364363443 497921005 /nfs/dbraw/zinc/92/10/05/497921005.db2.gz MCRCEFMGSIPKQX-CRAIPNDOSA-N 2 0 368.518 3.146 20 0 FGADRP CC[NH+]1CCC(C[NH2+]C[C@@H](O)COc2ccc(-c3ccccc3)cc2)CC1 ZINC000572393765 505958830 /nfs/dbraw/zinc/95/88/30/505958830.db2.gz WXBBESKHDVZOQM-JOCHJYFZSA-N 2 0 368.521 3.415 20 0 FGADRP C[NH+]1CCN(Cc2ccc(C[NH2+][C@H](c3cncc(F)c3)C3CC3)cc2)CC1 ZINC000281162027 498038799 /nfs/dbraw/zinc/03/87/99/498038799.db2.gz HFYKCTIQPLCEQC-QFIPXVFZSA-N 2 0 368.500 3.209 20 0 FGADRP CCc1ccccc1NC(=O)C[C@H](C)[NH2+]CC1(SC)CC[NH+](C)CC1 ZINC000572447345 505971317 /nfs/dbraw/zinc/97/13/17/505971317.db2.gz HDMPSGRPSRIRAQ-INIZCTEOSA-N 2 0 363.571 3.383 20 0 FGADRP CSC1(C[NH2+]Cc2cccc(OCC[N@H+](C)C3CCOCC3)c2)CC1 ZINC000289213011 498063786 /nfs/dbraw/zinc/06/37/86/498063786.db2.gz ITAKXODEWQMMFE-UHFFFAOYSA-N 2 0 364.555 3.161 20 0 FGADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000285458168 498091452 /nfs/dbraw/zinc/09/14/52/498091452.db2.gz ZUQJYIYAXRBQBF-RBKXMNCYSA-N 3 0 372.601 3.045 20 0 FGADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+]Cc2ccc(C(N)=O)cc2)CC1 ZINC000285514790 498112740 /nfs/dbraw/zinc/11/27/40/498112740.db2.gz DOAPKRNAVRHZMW-UHFFFAOYSA-N 2 0 351.494 3.318 20 0 FGADRP CC[NH+](CC)CCOc1ccc(C[NH2+]Cc2cnc([C@@H](C)O)s2)cc1 ZINC000289354774 498116855 /nfs/dbraw/zinc/11/68/55/498116855.db2.gz XWVHZHLAVMKCED-OAHLLOKOSA-N 2 0 363.527 3.207 20 0 FGADRP Brc1ccn2cc(C[NH2+]CC3CC[NH+](C4CC4)CC3)nc2c1 ZINC000289403207 498133607 /nfs/dbraw/zinc/13/36/07/498133607.db2.gz ALRPKIPLDBLVAF-UHFFFAOYSA-N 2 0 363.303 3.061 20 0 FGADRP C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)NCC2(C)CC[NH2+]CC2)C1 ZINC000578637567 505986967 /nfs/dbraw/zinc/98/69/67/505986967.db2.gz YNTABDPHYAPAQY-SFHVURJKSA-N 2 0 372.557 3.107 20 0 FGADRP OC1CC[NH+](Cc2ccccc2C[NH2+]C2CCC3(CCCO3)CC2)CC1 ZINC000364964703 498229824 /nfs/dbraw/zinc/22/98/24/498229824.db2.gz ZKSOAMGPGABDPM-UHFFFAOYSA-N 2 0 358.526 3.225 20 0 FGADRP Cc1cc(N[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2CO)nc(C(C)C)n1 ZINC000301723153 498239589 /nfs/dbraw/zinc/23/95/89/498239589.db2.gz OBCLJPPGBZYGDR-MOPGFXCFSA-N 2 0 354.498 3.203 20 0 FGADRP [NH3+]C[C@@H](Cc1ccccc1)[C@H]1CCCCN1C(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000365003287 498250364 /nfs/dbraw/zinc/25/03/64/498250364.db2.gz USKSBDIFCIVJRE-XNDCSVHZSA-N 2 0 369.553 3.106 20 0 FGADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@H](C)Cc1cccc(C(F)(F)F)c1 ZINC000281739318 498252972 /nfs/dbraw/zinc/25/29/72/498252972.db2.gz VKDFXBRCCOFZOG-HZPDHXFCSA-N 2 0 357.464 3.252 20 0 FGADRP O=C(NCCC[NH+]1CCCC1)C1CC[NH+](C/C=C/c2ccc(F)cc2)CC1 ZINC000289734485 498270234 /nfs/dbraw/zinc/27/02/34/498270234.db2.gz IDODQPTWGGFTDP-HWKANZROSA-N 2 0 373.516 3.153 20 0 FGADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CCC(=O)Nc3cccc(C(F)(F)F)c3)C[C@H]21 ZINC000575803052 506008402 /nfs/dbraw/zinc/00/84/02/506008402.db2.gz ATPFVVFNCJADCX-DAXOMENPSA-N 2 0 355.404 3.093 20 0 FGADRP C[C@H]1C[C@@H]([NH2+]Cc2cccc(-c3nc(CC(F)(F)F)no3)c2)CC[N@@H+]1C ZINC000289763527 498282407 /nfs/dbraw/zinc/28/24/07/498282407.db2.gz LTLPJZYFRPAZDL-WFASDCNBSA-N 2 0 368.403 3.414 20 0 FGADRP C[C@H]1C[C@H](N[C@H](CC(N)=O)c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000293169930 498292536 /nfs/dbraw/zinc/29/25/36/498292536.db2.gz WCQLQFOQHRCSFT-IOMROCGXSA-N 2 0 351.494 3.246 20 0 FGADRP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2ccccc2N(C)C2CC[NH+](C)CC2)C1 ZINC000578803235 506024001 /nfs/dbraw/zinc/02/40/01/506024001.db2.gz OPDKMXJHBSLZHD-IBGZPJMESA-N 3 0 358.574 3.037 20 0 FGADRP c1nn(-c2ccccc2)cc1CC[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000581601906 506025475 /nfs/dbraw/zinc/02/54/75/506025475.db2.gz WZXSNVVTEPZVHU-FYYLOGMGSA-N 2 0 374.488 3.260 20 0 FGADRP CC[N@H+](C)[C@H](C(=O)N(C)CCC[NH+](C)Cc1ccncc1)c1ccccc1 ZINC000569827273 506026001 /nfs/dbraw/zinc/02/60/01/506026001.db2.gz FYUZGDIUBIKASP-NRFANRHFSA-N 2 0 368.525 3.055 20 0 FGADRP C[C@H]1C[C@H]([NH2+]C2CCN(c3cc[nH+]cc3)CC2)CN1Cc1ccccc1 ZINC000297356824 498418778 /nfs/dbraw/zinc/41/87/78/498418778.db2.gz FLDXAGLZDCOLTA-RXVVDRJESA-N 2 0 350.510 3.303 20 0 FGADRP C[C@H](CC(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)C1CC[NH2+]CC1 ZINC000361730579 498423517 /nfs/dbraw/zinc/42/35/17/498423517.db2.gz YMYJKHVFOZLKNP-UYAOXDASSA-N 2 0 357.542 3.041 20 0 FGADRP C[NH+](CCCC[N@@H+](C)[C@@H]1[C@H]2CCO[C@H]2C1(C)C)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000365393280 498441535 /nfs/dbraw/zinc/44/15/35/498441535.db2.gz QHSHZYVNPRKMCE-BGSOWLKRSA-N 2 0 364.574 3.257 20 0 FGADRP CC[NH+](CC)Cc1ccc(C[NH2+]C2CCC(CS(C)(=O)=O)CC2)cc1 ZINC000293716317 498465073 /nfs/dbraw/zinc/46/50/73/498465073.db2.gz MGPOILGQMIWZMW-UHFFFAOYSA-N 2 0 366.571 3.221 20 0 FGADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+](C)CCc1nc(-c2ccccc2)no1 ZINC000569889438 506038956 /nfs/dbraw/zinc/03/89/56/506038956.db2.gz SNPIPEIKAUVNRD-UHFFFAOYSA-N 2 0 374.448 3.300 20 0 FGADRP [NH3+]CC[C@H]1CCC[N@H+](Cc2cc3c(cc2Br)OCCCO3)C1 ZINC000578867787 506040875 /nfs/dbraw/zinc/04/08/75/506040875.db2.gz CDKXFMSHIMKGBM-CYBMUJFWSA-N 2 0 369.303 3.171 20 0 FGADRP CC(C)[NH2+]CCCNC(=O)NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000572739114 506041025 /nfs/dbraw/zinc/04/10/25/506041025.db2.gz RXZUHZCKMJRUTB-GOSISDBHSA-N 2 0 360.546 3.106 20 0 FGADRP CC(C)[NH2+]CCCNC(=O)NCc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000572739115 506041388 /nfs/dbraw/zinc/04/13/88/506041388.db2.gz RXZUHZCKMJRUTB-SFHVURJKSA-N 2 0 360.546 3.106 20 0 FGADRP CN(C)c1ncc(CN(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cn1 ZINC000362386101 498506511 /nfs/dbraw/zinc/50/65/11/498506511.db2.gz NPKHYDDREYDKMU-WCRBZPEASA-N 2 0 365.525 3.170 20 0 FGADRP CC(=O)N1CCCN(C[C@@H]2CCC[N@H+](C[C@@H]3CCCC(C)(C)C3)C2)CC1 ZINC000569917152 506046392 /nfs/dbraw/zinc/04/63/92/506046392.db2.gz WPYCKKHUYAOZLO-RTWAWAEBSA-N 2 0 363.590 3.469 20 0 FGADRP C[C@@H](NC(=O)C[NH+]1CCC2(C[C@H]2C[N@H+](C)C2CC2)CC1)c1cccs1 ZINC000362616873 498524878 /nfs/dbraw/zinc/52/48/78/498524878.db2.gz NONHRSZOJHKXAS-CVEARBPZSA-N 2 0 361.555 3.122 20 0 FGADRP CCn1cc(C[N@H+](C)C2CCN(Cc3ncc(C)c(OC)c3C)CC2)cn1 ZINC000290454632 498559684 /nfs/dbraw/zinc/55/96/84/498559684.db2.gz MQILAICSFNRVGV-UHFFFAOYSA-N 2 0 371.529 3.020 20 0 FGADRP C[C@@H]1CN(C(=O)NCc2ccccc2C[NH+]2CCC(C)CC2)C[C@@]1(C)C[NH3+] ZINC000569947504 506054722 /nfs/dbraw/zinc/05/47/22/506054722.db2.gz RXFVUCFTSOQMHK-XMSQKQJNSA-N 2 0 372.557 3.045 20 0 FGADRP NC(=O)C1CC[NH+](Cc2ccc(C[NH2+][C@@H]3CCC34CCCC4)cc2)CC1 ZINC000576009285 506055499 /nfs/dbraw/zinc/05/54/99/506055499.db2.gz CZRZESDSXRJMAC-HXUWFJFHSA-N 2 0 355.526 3.196 20 0 FGADRP Cc1ccc2[nH]c3c(c2c1)CCC[C@@H]3[NH2+][C@H](C)CCN1CC[NH+](C)CC1 ZINC000290543311 498591993 /nfs/dbraw/zinc/59/19/93/498591993.db2.gz ZZQBUJWJRCFVJE-UTKZUKDTSA-N 2 0 354.542 3.469 20 0 FGADRP C[C@H]([NH2+]CC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)C(C)(C)n1cncn1 ZINC000576032391 506060053 /nfs/dbraw/zinc/06/00/53/506060053.db2.gz JRXRXFJVAAPRGO-WSTZPKSXSA-N 2 0 355.530 3.292 20 0 FGADRP C(CC[NH+]1CCCC12CCOCC2)CC[N@@H+]1CCCC12CCOCC2 ZINC000363108426 498653580 /nfs/dbraw/zinc/65/35/80/498653580.db2.gz SCUHNIBGCCENAS-UHFFFAOYSA-N 2 0 350.547 3.447 20 0 FGADRP C[C@@H]1CC[NH2+][C@H](C(=O)Nc2nc3c(s2)CN(Cc2ccccc2)CC3)C1 ZINC000578992865 506069558 /nfs/dbraw/zinc/06/95/58/506069558.db2.gz VJTYAPSSLZBVLF-PBHICJAKSA-N 2 0 370.522 3.028 20 0 FGADRP Cc1ccc(NC(=O)N2C[C@H]([NH+]3CCCC3)C[C@@H]2C)c(OCC[NH+](C)C)c1 ZINC000287199776 498670397 /nfs/dbraw/zinc/67/03/97/498670397.db2.gz GEPWMGQKBMMDMF-ZWKOTPCHSA-N 2 0 374.529 3.026 20 0 FGADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC2CC[NH+](CC(C)C)CC2)C1 ZINC000303444638 498675384 /nfs/dbraw/zinc/67/53/84/498675384.db2.gz GOVFKPRCGAIJJN-GOSISDBHSA-N 2 0 366.594 3.307 20 0 FGADRP Cc1nc2ccccc2n1C[C@H]1CCC[N@@H+]1Cc1cnn(CC(F)F)c1 ZINC000294377675 498675946 /nfs/dbraw/zinc/67/59/46/498675946.db2.gz URRZWRSHVSORIL-MRXNPFEDSA-N 2 0 359.424 3.471 20 0 FGADRP CC(C)Oc1cccc(C[NH2+]C[C@@H]2CCCN(C)[C@H]2c2cnn(C)c2)c1 ZINC000363177733 498688143 /nfs/dbraw/zinc/68/81/43/498688143.db2.gz XUPMNTRLLSPVLK-GHTZIAJQSA-N 2 0 356.514 3.380 20 0 FGADRP Cn1cc([C@H]2[C@H](C[NH2+]Cc3cnc(C(C)(C)C)s3)CCCN2C)cn1 ZINC000363177636 498688312 /nfs/dbraw/zinc/68/83/12/498688312.db2.gz WNEFZMUCAZGTRB-WMLDXEAASA-N 2 0 361.559 3.347 20 0 FGADRP C[C@H](c1ccc(Cl)cc1)N(C)C(=O)C[N@@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000365904846 498692152 /nfs/dbraw/zinc/69/21/52/498692152.db2.gz DGQWPCGSYVPNFT-GDBMZVCRSA-N 2 0 360.889 3.462 20 0 FGADRP CC1CCN(c2ccc(C[NH2+]C3CCN(c4cc[nH+]cc4)CC3)cn2)CC1 ZINC000298237929 498706344 /nfs/dbraw/zinc/70/63/44/498706344.db2.gz BXRCROMUZWSDCA-UHFFFAOYSA-N 2 0 365.525 3.472 20 0 FGADRP C[N@H+](CCC[NH2+]C1CCN(Cc2ccccn2)CC1)Cc1ccccc1 ZINC000576141060 506086101 /nfs/dbraw/zinc/08/61/01/506086101.db2.gz RWJLYTBRNOABMI-UHFFFAOYSA-N 2 0 352.526 3.158 20 0 FGADRP C[C@@H]1C[N@H+](CCCN[C@H]2CC[NH+](Cc3ccccc3)C3(CC3)C2)CCCO1 ZINC000570091762 506088067 /nfs/dbraw/zinc/08/80/67/506088067.db2.gz IGSSFQUEBHHNSA-IRLDBZIGSA-N 2 0 371.569 3.274 20 0 FGADRP CCN(C(=O)[C@@H]1CCCn2ccnc21)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000363354948 498776420 /nfs/dbraw/zinc/77/64/20/498776420.db2.gz FXTAPFOWHYBHFU-YZGWKJHDSA-N 2 0 366.509 3.445 20 0 FGADRP CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1ccc2c[nH+]cn2c1 ZINC000572945910 506089703 /nfs/dbraw/zinc/08/97/03/506089703.db2.gz OJEMOYHYFHKQEB-HXUWFJFHSA-N 2 0 350.466 3.221 20 0 FGADRP CC1(c2ccccc2)CCC([NH2+]Cc2nnc(C3CC[NH2+]CC3)[nH]2)CC1 ZINC000581938479 506095205 /nfs/dbraw/zinc/09/52/05/506095205.db2.gz CGWAJXDQPVYORE-UHFFFAOYSA-N 2 0 353.514 3.262 20 0 FGADRP COc1cc(C[NH+]2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)ccc1OC(F)F ZINC000579087916 506091351 /nfs/dbraw/zinc/09/13/51/506091351.db2.gz GJWYZSICFPERMB-WBVHZDCISA-N 2 0 370.440 3.015 20 0 FGADRP C[C@H]([NH2+]C[C@@H]1CCC2(CCOCC2)[C@H]1O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000283161785 498803218 /nfs/dbraw/zinc/80/32/18/498803218.db2.gz IQUMQQPIBBAERP-UVUJQTEASA-N 2 0 372.553 3.054 20 0 FGADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)[C@H]2CCn3cncc3C2)cc1 ZINC000332826574 498804866 /nfs/dbraw/zinc/80/48/66/498804866.db2.gz WYIQBYVOSRPACH-PXNSSMCTSA-N 2 0 366.509 3.136 20 0 FGADRP COc1cc(NC2CC[NH+](CC[C@@H]3CCCC[N@@H+]3C)CC2)cc(OC)c1 ZINC000366170340 498805673 /nfs/dbraw/zinc/80/56/73/498805673.db2.gz VAHINTJGMXQZQM-IBGZPJMESA-N 2 0 361.530 3.455 20 0 FGADRP C[C@@H](C[NH2+]C[C@@H](O)COc1cc(Cl)ccc1Cl)C[NH+]1CCCC1 ZINC000320698300 498809266 /nfs/dbraw/zinc/80/92/66/498809266.db2.gz HVJRKOXHELPCKW-DZGCQCFKSA-N 2 0 361.313 3.055 20 0 FGADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccccc1 ZINC000287648169 498825146 /nfs/dbraw/zinc/82/51/46/498825146.db2.gz QGSQPBJUTXSNQB-BLMTVLTRSA-N 2 0 372.557 3.382 20 0 FGADRP COC[C@H]1CC[NH+](Cc2cc(Cl)cc(C[N@H+]3CC[C@H](COC)C3)c2)C1 ZINC000295115220 498914303 /nfs/dbraw/zinc/91/43/03/498914303.db2.gz VWBSNOGPCLPJOP-IRXDYDNUSA-N 2 0 366.933 3.277 20 0 FGADRP [NH3+][C@H](CC(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000366416765 498917094 /nfs/dbraw/zinc/91/70/94/498917094.db2.gz ZHCYYFCKSLWJBD-PZJWPPBQSA-N 2 0 351.494 3.105 20 0 FGADRP Cc1cc(C[NH+]2CCC(OCCC[NH3+])CC2)nc(-c2ccc(Cl)cc2)n1 ZINC000570211776 506116255 /nfs/dbraw/zinc/11/62/55/506116255.db2.gz NBQONDJGQFKOSD-UHFFFAOYSA-N 2 0 374.916 3.435 20 0 FGADRP COc1cc(C[NH2+][C@@H]2CCOC2(C)C)cc(C[NH2+][C@H]2CCOC2(C)C)c1 ZINC000295262339 498959979 /nfs/dbraw/zinc/95/99/79/498959979.db2.gz RLACCSTYIPBUEH-KDURUIRLSA-N 2 0 362.514 3.009 20 0 FGADRP CC1(C)CC[C@@H]([NH2+][C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)c2ccccc21 ZINC000333280684 498964418 /nfs/dbraw/zinc/96/44/18/498964418.db2.gz MKYQUQFCKMYPNL-SBHAEUEKSA-N 2 0 355.526 3.036 20 0 FGADRP C[C@H]([NH3+])[C@H]1CCCN(C(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)C1 ZINC000582051918 506122955 /nfs/dbraw/zinc/12/29/55/506122955.db2.gz ULQCLSJIJFRIQX-RXVVDRJESA-N 2 0 372.557 3.331 20 0 FGADRP CC(C)(C)OC(=O)N1CC[C@H]([NH2+]Cc2cnc[nH]2)[C@@H](c2ccccc2)C1 ZINC000366593800 498994196 /nfs/dbraw/zinc/99/41/96/498994196.db2.gz JLKUOHZITYBOPA-MSOLQXFVSA-N 2 0 356.470 3.293 20 0 FGADRP C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1oc2ccccc2c1C[NH+](C)C ZINC000288365018 499004906 /nfs/dbraw/zinc/00/49/06/499004906.db2.gz KXHDZZBNJCLAJM-HZPDHXFCSA-N 2 0 355.482 3.193 20 0 FGADRP [NH3+]CCC1CC[NH+](Cc2cc(Cl)ccc2OC[C@@H]2CCCO2)CC1 ZINC000579237198 506126641 /nfs/dbraw/zinc/12/66/41/506126641.db2.gz YIRITVADUQTDML-SFHVURJKSA-N 2 0 352.906 3.459 20 0 FGADRP C[C@H](NC(=O)N1CC(C)(C)[C@H]1c1nccn1C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000333616984 499043867 /nfs/dbraw/zinc/04/38/67/499043867.db2.gz OZXDUBJTRMHFKJ-LZLYRXPVSA-N 2 0 373.545 3.166 20 0 FGADRP COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)cc1 ZINC000284406785 499102812 /nfs/dbraw/zinc/10/28/12/499102812.db2.gz QAKOQYBVSFBJJR-LFWOZUSOSA-N 2 0 358.526 3.278 20 0 FGADRP [NH3+][C@H]1CCC[C@@H]([NH2+]C2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)C1 ZINC000570293453 506135172 /nfs/dbraw/zinc/13/51/72/506135172.db2.gz LILBDDBTISXPDA-DZGCQCFKSA-N 2 0 369.431 3.170 20 0 FGADRP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+]C[C@@H](C(C)C)N2CC[NH+](C)CC2)C1 ZINC000366960924 499122988 /nfs/dbraw/zinc/12/29/88/499122988.db2.gz UFVBRGGLVKJNBQ-HKBOAZHASA-N 2 0 358.574 3.278 20 0 FGADRP C[C@@H]1CCC[N@@H+]1C1CCN(C[C@H]2C[NH+](Cc3ccccc3)CCCO2)CC1 ZINC000367071757 499143605 /nfs/dbraw/zinc/14/36/05/499143605.db2.gz CLPDRQPWJHGOLU-OFNKIYASSA-N 2 0 371.569 3.226 20 0 FGADRP C[N@H+](C[C@H]1CC12CC[NH+](C[C@H](O)c1c(F)cccc1F)CC2)C1CC1 ZINC000367309533 499178044 /nfs/dbraw/zinc/17/80/44/499178044.db2.gz JMQJXNQTYUJAGD-KDOFPFPSSA-N 2 0 350.453 3.195 20 0 FGADRP Cc1ccc(OC(F)F)c([C@@H](C)[NH2+][C@H]2CCN(C3CC[NH+](C)CC3)C2)c1 ZINC000370623975 499236826 /nfs/dbraw/zinc/23/68/26/499236826.db2.gz FCDXEDPXEMAXOA-CVEARBPZSA-N 2 0 367.484 3.416 20 0 FGADRP COc1ccc([C@@H]2CCCC[C@@H]2[NH2+]C[C@H](C)N2CC[NH+](C)CC2)cc1F ZINC000370628125 499237333 /nfs/dbraw/zinc/23/73/33/499237333.db2.gz HVKFNUXXVPMWNG-QRFRQXIXSA-N 2 0 363.521 3.086 20 0 FGADRP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+]CCc1c[nH]c2cc(F)ccc12 ZINC000370653955 499240253 /nfs/dbraw/zinc/24/02/53/499240253.db2.gz VPXXYVDYUXRXPX-MOXGXCLJSA-N 2 0 359.489 3.329 20 0 FGADRP C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@H]1[NH2+]CCc1c[nH]c2cc(F)ccc12 ZINC000370653956 499240300 /nfs/dbraw/zinc/24/03/00/499240300.db2.gz VPXXYVDYUXRXPX-XFQXTVEOSA-N 2 0 359.489 3.329 20 0 FGADRP C[C@H]([NH2+]Cc1ccc(-n2ccnc2)nc1)c1cccc(OCC[NH+](C)C)c1 ZINC000370669664 499242463 /nfs/dbraw/zinc/24/24/63/499242463.db2.gz OZMHTADMAHWNTD-KRWDZBQOSA-N 2 0 365.481 3.059 20 0 FGADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H]1CCCOc2c3ccccc3ccc21 ZINC000370753919 499251551 /nfs/dbraw/zinc/25/15/51/499251551.db2.gz NGIZKNRYFPCECJ-UTKZUKDTSA-N 2 0 353.510 3.279 20 0 FGADRP CC[NH+]1CCN([C@H]2CC[N@@H+]([C@@H]3CC(C)(C)Oc4cc(F)ccc43)C2)CC1 ZINC000368017193 499255437 /nfs/dbraw/zinc/25/54/37/499255437.db2.gz GZCSIYDDWDIEEJ-PKOBYXMFSA-N 2 0 361.505 3.140 20 0 FGADRP COc1cc(C[NH2+]C[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)cc(OC)c1O ZINC000368030442 499257315 /nfs/dbraw/zinc/25/73/15/499257315.db2.gz NSLIWSJWZTXCDK-VQIMIIECSA-N 2 0 370.493 3.410 20 0 FGADRP COCCn1cc2c(n1)[C@@H](NC1CC[NH+](C3CCCCC3)CC1)CCC2 ZINC000368187718 499272643 /nfs/dbraw/zinc/27/26/43/499272643.db2.gz IAOADLHNCXJOOY-FQEVSTJZSA-N 2 0 360.546 3.294 20 0 FGADRP C[C@@H](O)c1cnc(C[NH2+]CC2CC[NH+](Cc3cccs3)CC2)s1 ZINC000368291426 499282297 /nfs/dbraw/zinc/28/22/97/499282297.db2.gz ORNQRPMUEJIFHK-CYBMUJFWSA-N 2 0 351.541 3.260 20 0 FGADRP C[NH+]1CCC2(CC1)C[C@@H]([NH2+]CCCOC[C@@H]1CCOC1)c1ccccc1O2 ZINC000368363061 499288876 /nfs/dbraw/zinc/28/88/76/499288876.db2.gz QZSURHYWBFMROE-AZUAARDMSA-N 2 0 374.525 3.007 20 0 FGADRP CCN(C(=O)c1ccc(C[NH3+])cc1)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000368453743 499297609 /nfs/dbraw/zinc/29/76/09/499297609.db2.gz MJTSUHQGXQXPFH-UTKZUKDTSA-N 2 0 351.494 3.443 20 0 FGADRP O=C([C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000371242692 499301741 /nfs/dbraw/zinc/30/17/41/499301741.db2.gz HKILLKJBQWLIJE-PZJWPPBQSA-N 2 0 373.516 3.028 20 0 FGADRP C[C@H]1C[N@H+](CCCSCc2ccccc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000371301234 499307176 /nfs/dbraw/zinc/30/71/76/499307176.db2.gz DOJPVODPKIBLOU-PZJWPPBQSA-N 2 0 361.599 3.268 20 0 FGADRP CCC[NH+]1CCN(C2CC[NH+](Cc3cnc(C(C)(C)C)s3)CC2)CC1 ZINC000371327414 499310816 /nfs/dbraw/zinc/31/08/16/499310816.db2.gz NKSIACYHERAGFE-UHFFFAOYSA-N 2 0 364.603 3.433 20 0 FGADRP CC(C)Oc1cccc(C[NH+]2CCC(C)(C[NH+]3CCN(C)CC3)CC2)c1 ZINC000371824854 499368958 /nfs/dbraw/zinc/36/89/58/499368958.db2.gz YRHQYDZZSJLKPT-UHFFFAOYSA-N 2 0 359.558 3.323 20 0 FGADRP CCOc1ccc([C@H]2CCCN2C(=O)C[NH+]2CCC(C[NH+](C)C)CC2)cc1 ZINC000369191184 499376107 /nfs/dbraw/zinc/37/61/07/499376107.db2.gz HQEQQDDELRLYHF-OAQYLSRUSA-N 2 0 373.541 3.022 20 0 FGADRP CC(=O)Nc1ccccc1C[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000371900546 499376719 /nfs/dbraw/zinc/37/67/19/499376719.db2.gz ZPOTZIMOPRVJME-UHFFFAOYSA-N 2 0 352.482 3.388 20 0 FGADRP C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@H]1[NH2+]CCCCN(C)c1ccccc1 ZINC000371978466 499386340 /nfs/dbraw/zinc/38/63/40/499386340.db2.gz IJXUAIRRQXFBMS-CEMLEFRQSA-N 2 0 359.558 3.382 20 0 FGADRP c1cnn([C@@H]2CCC[NH+](CCCCC[N@@H+]3CCC[C@@H](n4cccn4)C3)C2)c1 ZINC000369585608 499422684 /nfs/dbraw/zinc/42/26/84/499422684.db2.gz TUYVZAGECDRLKA-NHCUHLMSSA-N 2 0 370.545 3.224 20 0 FGADRP C[C@H]1C[N@H+](Cc2ccc(C(F)(F)F)cc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000369768402 499441785 /nfs/dbraw/zinc/44/17/85/499441785.db2.gz WOGPSPILIFCTEG-YJBOKZPZSA-N 2 0 355.448 3.163 20 0 FGADRP CC(=O)c1c(C)cc(C)c(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)c1C ZINC000369767127 499441812 /nfs/dbraw/zinc/44/18/12/499441812.db2.gz QHKHLZNXFAHYHI-AVRDEDQJSA-N 2 0 371.569 3.272 20 0 FGADRP O=C(C1CC[NH+](C2CC2)CC1)N1CCc2c1cccc2C[NH+]1CCCC1 ZINC000373333745 499463792 /nfs/dbraw/zinc/46/37/92/499463792.db2.gz RIYGMIAOXZXOBQ-UHFFFAOYSA-N 2 0 353.510 3.046 20 0 FGADRP COc1ccc2c(c1)OCC[C@@H]2[NH2+][C@@H]1CCN(Cc2ccccn2)C[C@@H]1C ZINC000378183662 499488047 /nfs/dbraw/zinc/48/80/47/499488047.db2.gz JKDSRKCUHHDAQL-DQLDELGASA-N 2 0 367.493 3.414 20 0 FGADRP CC[NH+](CC)CCOc1ccc(C(=O)N2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)cc1 ZINC000378237060 499493234 /nfs/dbraw/zinc/49/32/34/499493234.db2.gz ZKIKXLLWOOZLOG-TZIWHRDSSA-N 2 0 373.541 3.011 20 0 FGADRP C[N@H+](CC1CCC(C(F)(F)F)CC1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000375214359 499496215 /nfs/dbraw/zinc/49/62/15/499496215.db2.gz FPRZJJTXRVPUMA-LEOMRAHMSA-N 2 0 361.496 3.455 20 0 FGADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1cccc(-c2ccccn2)c1 ZINC000378368301 499507628 /nfs/dbraw/zinc/50/76/28/499507628.db2.gz GLPKUACTOBAUAM-FCEUIQTBSA-N 2 0 351.494 3.432 20 0 FGADRP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCC[C@@H]1[C@@H]1COCC[C@@]1(C)O ZINC000375410591 499515711 /nfs/dbraw/zinc/51/57/11/499515711.db2.gz KPAIFRPFVIYNOG-QZNHQXDQSA-N 2 0 374.569 3.397 20 0 FGADRP CC[NH+](CC)[C@@H]1CCN(C(=O)[C@@H]2CCn3c(cnc3C3CCCCC3)C2)C1 ZINC000378513213 499526145 /nfs/dbraw/zinc/52/61/45/499526145.db2.gz CQFBYZREHPVFCM-RTBURBONSA-N 2 0 372.557 3.436 20 0 FGADRP C[N@H+](C[C@@H](O)c1ccc(F)cc1F)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000378540077 499529640 /nfs/dbraw/zinc/52/96/40/499529640.db2.gz PAQULLWJFFRRFT-HXUWFJFHSA-N 2 0 361.436 3.242 20 0 FGADRP C[N@H+](CCC(=O)N[C@H]1CCCc2ccccc21)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000375745511 499550981 /nfs/dbraw/zinc/55/09/81/499550981.db2.gz QVKLHDFKRWJENV-VHRCFOOQSA-N 2 0 355.526 3.127 20 0 FGADRP COc1ccc([C@@H](C)[NH2+]CCN2CC[NH+](Cc3ccccc3)CC2)cc1F ZINC000390908998 499556347 /nfs/dbraw/zinc/55/63/47/499556347.db2.gz NASNLRRKTGLBSE-GOSISDBHSA-N 2 0 371.500 3.303 20 0 FGADRP Cn1ccc(N2CC[C@H]([NH2+]C3CCC([N@H+](C)Cc4ccccc4)CC3)C2)n1 ZINC000375847990 499561621 /nfs/dbraw/zinc/56/16/21/499561621.db2.gz CGTLAWAIEZTEPF-KBWCOIMZSA-N 2 0 367.541 3.032 20 0 FGADRP OC1(C[NH2+][C@@H]2CCc3cc(F)ccc32)CC[NH+](Cc2ccccc2)CC1 ZINC000397491181 499563966 /nfs/dbraw/zinc/56/39/66/499563966.db2.gz JGWQTVKGHIVQPC-OAQYLSRUSA-N 2 0 354.469 3.430 20 0 FGADRP OC1(C[NH2+][C@H]2Cc3ccc(Cl)cc3C2)CC[NH+](Cc2ccccc2)CC1 ZINC000397702946 499564794 /nfs/dbraw/zinc/56/47/94/499564794.db2.gz VXVLWFZXRPCANO-NRFANRHFSA-N 2 0 370.924 3.424 20 0 FGADRP Cc1cccc(OC[C@H](O)C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000397960965 499565773 /nfs/dbraw/zinc/56/57/73/499565773.db2.gz DZJHZXCAJIWAQY-WPYKKVEZSA-N 2 0 368.521 3.235 20 0 FGADRP CC(C)[NH+]1CCN([C@@H]2CCN(Cc3cccc(C(F)(F)F)c3)C2)CC1 ZINC000375901595 499566735 /nfs/dbraw/zinc/56/67/35/499566735.db2.gz CDCZVZOIAPGVTL-GOSISDBHSA-N 2 0 355.448 3.306 20 0 FGADRP C[C@H]1C[C@@H](C(=O)N2CCC[C@@H]2[C@@H]2CCC[N@@H+]2Cc2ccccc2)CC[NH2+]1 ZINC000376633125 499624957 /nfs/dbraw/zinc/62/49/57/499624957.db2.gz CJRZGWBBQZNTHP-ZIBCJSCZSA-N 2 0 355.526 3.030 20 0 FGADRP OC[C@@H]1CCC[N@@H+]1Cc1ccccc1CNc1cc[nH+]cc1-c1cccnc1 ZINC000376713863 499631176 /nfs/dbraw/zinc/63/11/76/499631176.db2.gz AMXXHDOETVZWBL-NRFANRHFSA-N 2 0 374.488 3.134 20 0 FGADRP CN(C(=O)NC[C@@H]1CCC[NH+]1C1CCCCC1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000376932785 499647494 /nfs/dbraw/zinc/64/74/94/499647494.db2.gz MEOBEVUWCINRPA-COHPWVSRSA-N 2 0 362.562 3.050 20 0 FGADRP C[NH+](C)CCOc1cnccc1C[NH2+][C@@H]1CCC[C@@H](c2cccnc2)C1 ZINC000377398939 499687088 /nfs/dbraw/zinc/68/70/88/499687088.db2.gz BQOASQOUMNFQQB-YLJYHZDGSA-N 2 0 354.498 3.233 20 0 FGADRP COc1cc(F)c(C[NH2+]CC2CCN(c3cc[nH+]cc3)CC2)cc1OC ZINC000579362086 506156034 /nfs/dbraw/zinc/15/60/34/506156034.db2.gz MVTPWHWMKNLNIF-UHFFFAOYSA-N 2 0 359.445 3.244 20 0 FGADRP COC(=O)[C@@H]1CC12CC[NH+](Cc1cccc(C[NH+]3CCCCC3)c1)CC2 ZINC000411273028 499720258 /nfs/dbraw/zinc/72/02/58/499720258.db2.gz BWHNIEAXAFFUIB-FQEVSTJZSA-N 2 0 356.510 3.448 20 0 FGADRP COc1ccc2c(c1)CCC[C@H]2[N@@H+]1CCCC[C@H](N2CCN(C)CC2)C1 ZINC000377695569 499721351 /nfs/dbraw/zinc/72/13/51/499721351.db2.gz MJUHTWLJLGKPTK-SIKLNZKXSA-N 2 0 357.542 3.175 20 0 FGADRP c1cc(C[NH+]2CCCCC2)cc(C[NH+]2CCC(O[C@@H]3CCOC3)CC2)c1 ZINC000411324468 499726105 /nfs/dbraw/zinc/72/61/05/499726105.db2.gz FTAPURNSVQPMFP-JOCHJYFZSA-N 2 0 358.526 3.442 20 0 FGADRP C[N@@H+]1CC[C@@H](C[NH2+]Cc2ccccc2N2CCOCC2)[C@H]1c1ccccc1 ZINC000377764142 499730549 /nfs/dbraw/zinc/73/05/49/499730549.db2.gz SNQDWYSMPSIJRT-JTHBVZDNSA-N 2 0 365.521 3.306 20 0 FGADRP COc1ccc([C@H](CO)C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000414182520 499766526 /nfs/dbraw/zinc/76/65/26/499766526.db2.gz NIWLLCUXYARJLG-RZFNWQHOSA-N 2 0 368.521 3.271 20 0 FGADRP C[C@H]([NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1)c1ccc2ccccc2c1 ZINC000414202607 499768142 /nfs/dbraw/zinc/76/81/42/499768142.db2.gz UKPQQWWIXHEVNF-IBGZPJMESA-N 2 0 367.537 3.287 20 0 FGADRP C[C@@H]1CC[C@H]([NH2+]CC2(N3CCOCC3)CC[NH+](C)CC2)c2ccccc21 ZINC000414200242 499768175 /nfs/dbraw/zinc/76/81/75/499768175.db2.gz RPCZUDAKDSODAM-NQIIRXRSSA-N 2 0 357.542 3.011 20 0 FGADRP C[C@H]([NH2+]C[C@H](CO)c1ccc(F)cc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000414286104 499774497 /nfs/dbraw/zinc/77/44/97/499774497.db2.gz ITCDLNYRSATSLX-QFBILLFUSA-N 2 0 360.473 3.193 20 0 FGADRP CC(C)[N@H+](C)Cc1cccc(C[NH2+]Cc2ccc(S(C)(=O)=O)s2)c1 ZINC000414290579 499774705 /nfs/dbraw/zinc/77/47/05/499774705.db2.gz ACCXSUPSEZMFPS-UHFFFAOYSA-N 2 0 366.552 3.282 20 0 FGADRP C[C@H]1CCC[N@H+](Cc2ccc(C[NH2+]Cc3cnc(N(C)C)n3C)cc2)C1 ZINC000414291956 499774885 /nfs/dbraw/zinc/77/48/85/499774885.db2.gz UQKOMEGFAYTRBP-KRWDZBQOSA-N 2 0 355.530 3.008 20 0 FGADRP CC[C@H]1C[C@@]1([NH2+]CC(=O)NC1CC[NH+](C(C)C)CC1)c1cccc(C)c1 ZINC000411689108 499778125 /nfs/dbraw/zinc/77/81/25/499778125.db2.gz JVYBEBXDZGDKTR-AVRDEDQJSA-N 2 0 357.542 3.199 20 0 FGADRP CCC1CCC([NH2+]Cc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)CC1 ZINC000414332999 499778614 /nfs/dbraw/zinc/77/86/14/499778614.db2.gz VNWRJBTZLMKTLX-UHFFFAOYSA-N 2 0 357.542 3.442 20 0 FGADRP CC(C)[C@H]1CCC[C@H]1[NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000414336539 499779106 /nfs/dbraw/zinc/77/91/06/499779106.db2.gz ZNFOINQDPLTCGA-NHCUHLMSSA-N 2 0 357.542 3.298 20 0 FGADRP Cc1cc([C@H](C)[NH2+]Cc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)oc1C ZINC000414342942 499779420 /nfs/dbraw/zinc/77/94/20/499779420.db2.gz PVXJLHDUHGFFQL-INIZCTEOSA-N 2 0 369.509 3.445 20 0 FGADRP C[C@H](C[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1)Cc1ccccc1 ZINC000414531779 499803816 /nfs/dbraw/zinc/80/38/16/499803816.db2.gz ZXOKTUXUPQCBIY-FQEVSTJZSA-N 2 0 352.522 3.482 20 0 FGADRP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+]1CC(C)(C)C[C@@H]1C ZINC000412043267 499816313 /nfs/dbraw/zinc/81/63/13/499816313.db2.gz NHZKGDCHQMCGDC-ROUUACIJSA-N 2 0 357.542 3.276 20 0 FGADRP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3cn(C4CCCC4)nc3-c3ccccn3)C[C@H]12 ZINC000414670767 499819103 /nfs/dbraw/zinc/81/91/03/499819103.db2.gz MRYBSYNYOAJBCB-AYOQOUSVSA-N 2 0 351.498 3.229 20 0 FGADRP COc1cc(OC)cc(C2(F)CC[NH+](C[C@@H]3CC[NH2+][C@@H](C)C3)CC2)c1 ZINC000414760181 499827347 /nfs/dbraw/zinc/82/73/47/499827347.db2.gz GNJPQAJGHZBNND-JKSUJKDBSA-N 2 0 350.478 3.353 20 0 FGADRP O[C@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1ccc(-c2ccc(C(F)(F)F)cc2)s1 ZINC000414779947 499830125 /nfs/dbraw/zinc/83/01/25/499830125.db2.gz GBQSOKZYHANDOL-WFASDCNBSA-N 2 0 356.413 3.104 20 0 FGADRP Clc1cc(C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc2c1OCCCO2 ZINC000414784251 499830813 /nfs/dbraw/zinc/83/08/13/499830813.db2.gz RAVSTQVAOUFKPT-CVEARBPZSA-N 2 0 350.890 3.323 20 0 FGADRP Clc1ccc(OC2CCCC2)c(C[NH2+]CCCN2CC[NH2+]CC2)c1 ZINC000414787628 499831390 /nfs/dbraw/zinc/83/13/90/499831390.db2.gz ZOBFEBWCXSCJQE-UHFFFAOYSA-N 2 0 351.922 3.046 20 0 FGADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(Br)c(Br)c1 ZINC000414795718 499832207 /nfs/dbraw/zinc/83/22/07/499832207.db2.gz HAAKFNVPLQQYAN-MFKMUULPSA-N 2 0 362.109 3.429 20 0 FGADRP Brc1ccccc1CN1CCC([NH2+]C[C@@H]2CCC[NH2+]C2)CC1 ZINC000414826125 499835057 /nfs/dbraw/zinc/83/50/57/499835057.db2.gz IONOAUQZGSOIBJ-OAHLLOKOSA-N 2 0 366.347 3.003 20 0 FGADRP C[C@@H]([NH2+]Cc1cc(Br)c2c(c1)OCCCO2)[C@H]1CCC[NH2+]C1 ZINC000414851942 499837971 /nfs/dbraw/zinc/83/79/71/499837971.db2.gz JQBUQFWFIVIPAM-OCCSQVGLSA-N 2 0 369.303 3.088 20 0 FGADRP COc1ccc(-c2nn(Cc3ccccc3)cc2C[NH2+]C[C@H](C)C[NH3+])cc1 ZINC000414882357 499841022 /nfs/dbraw/zinc/84/10/22/499841022.db2.gz UDGVXLJETZFTKR-QGZVFWFLSA-N 2 0 364.493 3.291 20 0 FGADRP CCOc1cc(C[NH2+]C[C@@]2(C)CCC[NH2+]C2)cc(Br)c1OC ZINC000414907478 499843550 /nfs/dbraw/zinc/84/35/50/499843550.db2.gz QPHICFWODIJGIE-KRWDZBQOSA-N 2 0 371.319 3.336 20 0 FGADRP C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+][C@@H]1CC[NH2+][C@H](C)C1 ZINC000414950349 499847939 /nfs/dbraw/zinc/84/79/39/499847939.db2.gz OMGRCVYXRRFFON-YRGRVCCFSA-N 2 0 359.392 3.032 20 0 FGADRP COc1cc(Br)c(C[NH2+]CCC[C@H]2CCC[NH2+]2)c(OC)c1 ZINC000414972068 499850178 /nfs/dbraw/zinc/85/01/78/499850178.db2.gz LVOHNXRKHXQJAD-LBPRGKRZSA-N 2 0 357.292 3.088 20 0 FGADRP C[C@@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000414980371 499850895 /nfs/dbraw/zinc/85/08/95/499850895.db2.gz WJYSFGGKKCDMBC-MAUKXSAKSA-N 2 0 351.922 3.199 20 0 FGADRP Brc1ccc(-c2c[nH]c(C[NH2+]CCC[C@H]3CCC[NH2+]3)n2)cc1 ZINC000414979565 499850994 /nfs/dbraw/zinc/85/09/94/499850994.db2.gz VMWOYCVRNXQKTA-HNNXBMFYSA-N 2 0 363.303 3.461 20 0 FGADRP CC[C@H]([NH3+])CNCc1cn(Cc2ccccc2)nc1-c1ccc(OC)cc1 ZINC000414985629 499851626 /nfs/dbraw/zinc/85/16/26/499851626.db2.gz WGOBSYNFYSOQDQ-FQEVSTJZSA-N 2 0 364.493 3.434 20 0 FGADRP Cc1cc(NC(=O)C2CC[NH+]([C@H]3CCSC3)CC2)ccc1C[NH+](C)C ZINC000412411461 499852378 /nfs/dbraw/zinc/85/23/78/499852378.db2.gz BOTXCJOKSCTSNK-IBGZPJMESA-N 2 0 361.555 3.213 20 0 FGADRP FC(F)(F)c1ccn(-c2ccc(C[NH2+][C@@H]3C[C@H]3C3CC[NH2+]CC3)cc2)n1 ZINC000415004427 499853945 /nfs/dbraw/zinc/85/39/45/499853945.db2.gz HWTHAYQLIFVLED-DLBZAZTESA-N 2 0 364.415 3.369 20 0 FGADRP C[C@@H](CCCCN1C(=O)c2ccccc2C1=O)[NH2+]C[C@H]1CC[C@H](C[NH3+])CC1 ZINC000415020436 499855587 /nfs/dbraw/zinc/85/55/87/499855587.db2.gz GGHQZUXZTJDXMS-BZSNNMDCSA-N 2 0 371.525 3.196 20 0 FGADRP [NH3+]C[C@@H]1CC[C@H]([NH2+]Cc2cn(Cc3ccccc3)nc2-c2cccnc2)C1 ZINC000415029517 499856118 /nfs/dbraw/zinc/85/61/18/499856118.db2.gz DQPCZSZMSITTRX-NQIIRXRSSA-N 2 0 361.493 3.210 20 0 FGADRP CCOc1c(Cl)cccc1C[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000415044093 499857708 /nfs/dbraw/zinc/85/77/08/499857708.db2.gz AFEMCTCVFXYHJE-UHFFFAOYSA-N 2 0 351.922 3.045 20 0 FGADRP c1ccc(OC2CCCC2)c(C[NH2+]C2CCC([NH+]3CCNCC3)CC2)c1 ZINC000415045965 499857876 /nfs/dbraw/zinc/85/78/76/499857876.db2.gz CDLKVJZCLBVWOR-UHFFFAOYSA-N 2 0 357.542 3.314 20 0 FGADRP Cc1cc(C(F)(F)F)ccc1C[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000415048283 499858056 /nfs/dbraw/zinc/85/80/56/499858056.db2.gz GBHUVWSNYOBZAO-UHFFFAOYSA-N 2 0 355.448 3.320 20 0 FGADRP CC(C)[N@@H+]1CCc2nc(CN[C@H](CCC[NH3+])c3ccccc3)sc2C1 ZINC000415048883 499858150 /nfs/dbraw/zinc/85/81/50/499858150.db2.gz GKOLJUTXGQURLU-QGZVFWFLSA-N 2 0 358.555 3.479 20 0 FGADRP [NH3+][C@@H]1CCO[C@@H](C2CC[NH+](Cc3ccc(OC(F)(F)F)cc3)CC2)C1 ZINC000415127275 499867295 /nfs/dbraw/zinc/86/72/95/499867295.db2.gz QTGXHFANUCJVCG-NVXWUHKLSA-N 2 0 358.404 3.304 20 0 FGADRP Cc1ccc(-c2ncc(C[NH+]3CCC([C@@H]4C[C@H]([NH3+])CCO4)CC3)s2)o1 ZINC000415130574 499867725 /nfs/dbraw/zinc/86/77/25/499867725.db2.gz XHCRXEQMGBQMRT-QAPCUYQASA-N 2 0 361.511 3.430 20 0 FGADRP CCCOc1cc(C[NH+]2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)ccc1OC ZINC000415129387 499867836 /nfs/dbraw/zinc/86/78/36/499867836.db2.gz PIPFELILCXSJHN-GHTZIAJQSA-N 2 0 362.514 3.202 20 0 FGADRP [NH3+][C@H]1CCO[C@H](C2CC[NH+](Cc3ccc(Br)cc3)CC2)C1 ZINC000415129550 499867872 /nfs/dbraw/zinc/86/78/72/499867872.db2.gz UYFQOISFZQNPAL-IRXDYDNUSA-N 2 0 353.304 3.167 20 0 FGADRP CC1CC[NH+](CCc2cccc(NC(=O)N(C)[C@@H](C[NH3+])C3CC3)c2)CC1 ZINC000415394821 499891258 /nfs/dbraw/zinc/89/12/58/499891258.db2.gz RAFVOGDWVMTVDO-FQEVSTJZSA-N 2 0 358.530 3.162 20 0 FGADRP C[NH+](C)CCc1ccccc1NC(=O)N[C@@H](CCC[NH3+])c1ccccc1 ZINC000415587990 499904099 /nfs/dbraw/zinc/90/40/99/499904099.db2.gz ZLETVYVBADCFLV-FQEVSTJZSA-N 2 0 354.498 3.392 20 0 FGADRP CC[NH+](CC)Cc1ccc(CNC(=O)Nc2ccc3c(c2)C[NH2+]CC3)cc1 ZINC000415887364 499924713 /nfs/dbraw/zinc/92/47/13/499924713.db2.gz XEKRBHFVNYHSRJ-UHFFFAOYSA-N 2 0 366.509 3.496 20 0 FGADRP CC[NH2+]Cc1cccc(NC(=O)NCC[N@H+](C)Cc2ccc(F)cc2)c1 ZINC000415904016 499926529 /nfs/dbraw/zinc/92/65/29/499926529.db2.gz FRKHLXJUACVVCJ-UHFFFAOYSA-N 2 0 358.461 3.189 20 0 FGADRP C[NH2+]Cc1cccc(NC(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2)c1 ZINC000415923606 499929190 /nfs/dbraw/zinc/92/91/90/499929190.db2.gz WUOPSDRQCXMSID-HXUWFJFHSA-N 2 0 352.482 3.192 20 0 FGADRP CC[NH2+]Cc1ccccc1NC(=O)NCc1ccc(CC[NH+](C)C)cc1 ZINC000415930131 499929605 /nfs/dbraw/zinc/92/96/05/499929605.db2.gz JNMDUPZMSQWTHT-UHFFFAOYSA-N 2 0 354.498 3.222 20 0 FGADRP CC[NH2+]Cc1ccccc1NC(=O)N(CC[NH+](C)C)Cc1cccs1 ZINC000415958732 499933619 /nfs/dbraw/zinc/93/36/19/499933619.db2.gz RHTJIMCKXSUKOA-UHFFFAOYSA-N 2 0 360.527 3.453 20 0 FGADRP CC[C@H]1CN(C(=O)Nc2ccc(C[NH3+])cc2)CC[N@@H+]1Cc1ccccc1 ZINC000415961930 499934147 /nfs/dbraw/zinc/93/41/47/499934147.db2.gz SAUPBAFCJCUMMS-FQEVSTJZSA-N 2 0 352.482 3.274 20 0 FGADRP C[C@H](CNC(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1)[N@@H+]1CCC[C@H](C)C1 ZINC000415966378 499934658 /nfs/dbraw/zinc/93/46/58/499934658.db2.gz GLIUUOQXCIBIAA-QWHCGFSZSA-N 2 0 372.435 3.406 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)Nc1ccc(C[NH3+])cc1)Cc1ccccc1 ZINC000415965828 499934696 /nfs/dbraw/zinc/93/46/96/499934696.db2.gz YYLCIRZAHJYZQT-FQEVSTJZSA-N 2 0 354.498 3.220 20 0 FGADRP C[NH2+]Cc1ccc(NC(=O)NCC[C@H](C)[N@H+](C)Cc2ccccc2)cc1 ZINC000415968083 499935096 /nfs/dbraw/zinc/93/50/96/499935096.db2.gz CHTRYGPMRABAEV-KRWDZBQOSA-N 2 0 354.498 3.438 20 0 FGADRP C[C@@H](CNC(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1)C[NH+]1CCCC1 ZINC000415977596 499936520 /nfs/dbraw/zinc/93/65/20/499936520.db2.gz WTQZPBIGTBLAPX-LBPRGKRZSA-N 2 0 358.408 3.018 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)[C@H](C)CN1C(=O)Nc1ccc(C[NH3+])cc1 ZINC000415981361 499937259 /nfs/dbraw/zinc/93/72/59/499937259.db2.gz VLXUUOCSFZQTPF-IAGOWNOFSA-N 2 0 352.482 3.272 20 0 FGADRP C[NH2+]Cc1ccc(NC(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC000415985817 499937771 /nfs/dbraw/zinc/93/77/71/499937771.db2.gz BVHGQYOYWSVLQJ-BGYRXZFFSA-N 2 0 364.493 3.002 20 0 FGADRP CCN(C(=O)Nc1ccc2c(c1)C[NH2+]C2)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000416004394 499940092 /nfs/dbraw/zinc/94/00/92/499940092.db2.gz GZOUJJPOWISTSR-NRFANRHFSA-N 2 0 364.493 3.418 20 0 FGADRP CCN(C(=O)Nc1ccc2c(c1)C[NH2+]C2)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000416004396 499940182 /nfs/dbraw/zinc/94/01/82/499940182.db2.gz GZOUJJPOWISTSR-OAQYLSRUSA-N 2 0 364.493 3.418 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)Nc1ccc2c(c1)C[NH2+]C2)Cc1ccccc1 ZINC000416022459 499941966 /nfs/dbraw/zinc/94/19/66/499941966.db2.gz ZBBIYIYSAGJNMB-NRFANRHFSA-N 2 0 366.509 3.364 20 0 FGADRP C[NH+](C)[C@H](CC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1)c1ccccc1 ZINC000416177571 499969894 /nfs/dbraw/zinc/96/98/94/499969894.db2.gz GEHNQAVOBFLFDH-KCZVDYSFSA-N 2 0 351.494 3.241 20 0 FGADRP COc1c[nH+]ccc1N1CC[NH+](C[C@@H](OC(C)C)c2ccccc2)CC1 ZINC000428986472 499974044 /nfs/dbraw/zinc/97/40/44/499974044.db2.gz ZIJQPRCEMFAYMP-OAQYLSRUSA-N 2 0 355.482 3.379 20 0 FGADRP CC(C[NH+]1CCOC[C@@H](C2CCC2)C1)C[N@@H+]1CCOC[C@@H](C2CCC2)C1 ZINC000429029964 499988112 /nfs/dbraw/zinc/98/81/12/499988112.db2.gz QPEGIVTUIYSHAG-VXKWHMMOSA-N 2 0 364.574 3.120 20 0 FGADRP CC1CC[NH+]([C@H](CNC(=O)N2CCC[C@@H](CC[NH3+])C2)c2ccccc2)CC1 ZINC000417208680 500005774 /nfs/dbraw/zinc/00/57/74/500005774.db2.gz BIVFUJDQLMPUCJ-PZJWPPBQSA-N 2 0 372.557 3.230 20 0 FGADRP CC1CC[NH+]([C@@H](CNC(=O)NCC[C@H]2CCC[NH2+]C2)c2ccccc2)CC1 ZINC000417208604 500005983 /nfs/dbraw/zinc/00/59/83/500005983.db2.gz BESBSOVHTODFLI-CTNGQTDRSA-N 2 0 372.557 3.149 20 0 FGADRP C[NH+](C)C1CCC([NH2+]Cc2cn3ccc(Br)cc3n2)CC1 ZINC000421372175 500030307 /nfs/dbraw/zinc/03/03/07/500030307.db2.gz KOOIWQVQWGQOFN-UHFFFAOYSA-N 2 0 351.292 3.059 20 0 FGADRP C[C@@H](CCCCN1C(=O)c2ccccc2C1=O)[NH2+]C1CCC([NH+](C)C)CC1 ZINC000421380645 500032216 /nfs/dbraw/zinc/03/22/16/500032216.db2.gz YSNIRKOYURKAEE-AOCRQIFASA-N 2 0 371.525 3.304 20 0 FGADRP Cc1ccc([C@H](CNC(=O)N2CCCC[C@@H]2[C@@H]2CCC[NH2+]C2)[NH+](C)C)cc1 ZINC000417310809 500036737 /nfs/dbraw/zinc/03/67/37/500036737.db2.gz KXTPGIIZJBLONF-NJYVYQBISA-N 2 0 372.557 3.161 20 0 FGADRP CCc1ccccc1[C@@H]([NH3+])CNC(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000417336432 500043752 /nfs/dbraw/zinc/04/37/52/500043752.db2.gz VLEHLWWJTPZFCA-NRFANRHFSA-N 2 0 372.557 3.203 20 0 FGADRP C[C@H]1C[N@H+](CCOc2ccc(CC[NH2+][C@@H]3CCC[C@@H]([NH3+])C3)cc2)C[C@H]1C ZINC000570462190 506173466 /nfs/dbraw/zinc/17/34/66/506173466.db2.gz BMFWORKIZRWJKN-KOUHRCEDSA-N 3 0 359.558 3.055 20 0 FGADRP CC[NH+](CC)[C@H](C(=O)N1CCC([NH2+]C)CC1)c1cccc(C(F)(F)F)c1 ZINC000429359257 500059567 /nfs/dbraw/zinc/05/95/67/500059567.db2.gz CENMNURBSDXDGA-KRWDZBQOSA-N 2 0 371.447 3.299 20 0 FGADRP CC1CC[NH+](Cc2cccc(CNC(=O)NC[C@H]3CCC[C@H]([NH3+])C3)c2)CC1 ZINC000417467560 500082198 /nfs/dbraw/zinc/08/21/98/500082198.db2.gz MFOOJRJXPOAPBM-FPOVZHCZSA-N 2 0 372.557 3.235 20 0 FGADRP O[C@@H](C[NH2+]Cc1cccc(C[NH+]2CCCC2)c1)COCc1cccs1 ZINC000576509022 506175210 /nfs/dbraw/zinc/17/52/10/506175210.db2.gz OEYPCHUTRYCNMI-IBGZPJMESA-N 2 0 360.523 3.011 20 0 FGADRP C[N@H+](CCNC(=O)N[C@H](C[NH3+])c1ccc2ccccc2c1)C1CCCC1 ZINC000417505789 500092491 /nfs/dbraw/zinc/09/24/91/500092491.db2.gz KQPKBRHGOYNKIV-HXUWFJFHSA-N 2 0 354.498 3.013 20 0 FGADRP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)C1 ZINC000417586926 500117850 /nfs/dbraw/zinc/11/78/50/500117850.db2.gz RICNISNEIXLVGF-HKUYNNGSSA-N 2 0 364.578 3.061 20 0 FGADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)C1 ZINC000417586928 500117915 /nfs/dbraw/zinc/11/79/15/500117915.db2.gz RICNISNEIXLVGF-MJGOQNOKSA-N 2 0 364.578 3.061 20 0 FGADRP CC(C)(C)N1CC[C@@H]([N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)C1=O ZINC000425485339 500120330 /nfs/dbraw/zinc/12/03/30/500120330.db2.gz TVZVEGKCUWWUKH-HXUWFJFHSA-N 2 0 369.553 3.374 20 0 FGADRP O=C(NCCC[C@@H]1CCC[NH2+]1)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000416816195 500128572 /nfs/dbraw/zinc/12/85/72/500128572.db2.gz GYLBWQORSYPSRS-SFHVURJKSA-N 2 0 350.551 3.007 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N1CC[C@H]([NH3+])[C@@H](C)C1)c1ccccc1Cl ZINC000416839201 500134738 /nfs/dbraw/zinc/13/47/38/500134738.db2.gz JOQQCYCTKHWCIU-JCGIZDLHSA-N 2 0 366.937 3.102 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)N(C)C1CC[NH2+]CC1)c1ccccc1Cl ZINC000416851072 500138215 /nfs/dbraw/zinc/13/82/15/500138215.db2.gz QNWDINBGNBGZQO-SFHVURJKSA-N 2 0 366.937 3.116 20 0 FGADRP COc1ccc([C@H](C)[NH2+]C[C@@H](O)CN2CCc3ccccc3C2)c(C)c1 ZINC000414075051 500146678 /nfs/dbraw/zinc/14/66/78/500146678.db2.gz XFHWALJNXGOKQB-FXAWDEMLSA-N 2 0 354.494 3.073 20 0 FGADRP C[C@H](CCCC[NH3+])NC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000416892859 500149125 /nfs/dbraw/zinc/14/91/25/500149125.db2.gz WRLVTXQDOKAOEN-OAHLLOKOSA-N 2 0 366.937 3.121 20 0 FGADRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000417690766 500149603 /nfs/dbraw/zinc/14/96/03/500149603.db2.gz LRPFDIWMAKDHMU-PXNSSMCTSA-N 2 0 360.546 3.227 20 0 FGADRP CCC(CC)(CNC(=O)N1CCC[C@@H]1C[NH2+]C)[NH2+][C@@H](C)c1ccccc1 ZINC000417697802 500151113 /nfs/dbraw/zinc/15/11/13/500151113.db2.gz FMGJHOQRGCEXHK-PKOBYXMFSA-N 2 0 360.546 3.289 20 0 FGADRP C[NH2+]C[C@@H]1CCCN(C(=O)NCC2([NH2+][C@@H](C)c3ccccc3)CCCC2)C1 ZINC000417696148 500151316 /nfs/dbraw/zinc/15/13/16/500151316.db2.gz BYPNYVBIHQINQT-OALUTQOASA-N 2 0 372.557 3.291 20 0 FGADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000417734327 500159416 /nfs/dbraw/zinc/15/94/16/500159416.db2.gz KAXQTWPTNVHKNX-NUJGCVRESA-N 2 0 366.575 3.146 20 0 FGADRP COc1ccc([C@@H]([NH2+]CCCC[N@@H+]2CCC[C@H]2CO)C(C)C)c(F)c1 ZINC000421830463 500161281 /nfs/dbraw/zinc/16/12/81/500161281.db2.gz JYAOGLKBHSIRAD-JXFKEZNVSA-N 2 0 352.494 3.358 20 0 FGADRP COC1([C@@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H]2CO)CCCCC1 ZINC000421834327 500161824 /nfs/dbraw/zinc/16/18/24/500161824.db2.gz CAVLPCSZRIBLCY-WIYYLYMNSA-N 2 0 360.542 3.471 20 0 FGADRP CC[NH+]1CCC(CCNC(=O)NC[C@H]([NH3+])c2ccc(C(C)C)cc2)CC1 ZINC000417752046 500163754 /nfs/dbraw/zinc/16/37/54/500163754.db2.gz QGJXIRUASFFKOA-FQEVSTJZSA-N 2 0 360.546 3.231 20 0 FGADRP C[C@@H](CCCC[NH3+])NC(=O)NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000416969334 500169175 /nfs/dbraw/zinc/16/91/75/500169175.db2.gz BNBGITNFXWSPIG-ROUUACIJSA-N 2 0 360.546 3.378 20 0 FGADRP C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000416968527 500169538 /nfs/dbraw/zinc/16/95/38/500169538.db2.gz JJGHAKHADSRNJK-DBXWQHBBSA-N 2 0 372.557 3.330 20 0 FGADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N(CC[NH3+])Cc1ccccc1 ZINC000416969929 500169849 /nfs/dbraw/zinc/16/98/49/500169849.db2.gz MDILGPXEESQNQP-UHFFFAOYSA-N 2 0 368.525 3.197 20 0 FGADRP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)NC1CCC([NH3+])CC1 ZINC000416971402 500170914 /nfs/dbraw/zinc/17/09/14/500170914.db2.gz GRPFWKDUCBJSBQ-DZIBYMRMSA-N 2 0 358.530 3.130 20 0 FGADRP CC[NH+](CC)Cc1cccc(CNC(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)c1 ZINC000416976917 500173460 /nfs/dbraw/zinc/17/34/60/500173460.db2.gz BPTRTTXCCOUYCG-OAQYLSRUSA-N 2 0 372.557 3.060 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)NC3(C)CC[NH2+]CC3)cc2)C1 ZINC000416997749 500180137 /nfs/dbraw/zinc/18/01/37/500180137.db2.gz WBSXEXZBANLAOB-HDICACEKSA-N 2 0 372.557 3.106 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccsc1 ZINC000416999176 500180347 /nfs/dbraw/zinc/18/03/47/500180347.db2.gz BPZLTXPQXZJJSE-WFFDWFOESA-N 2 0 364.559 3.055 20 0 FGADRP COc1ccccc1-n1nccc1C[NH2+]Cc1ccc(C[NH+](C)C)cc1 ZINC000430013785 500181462 /nfs/dbraw/zinc/18/14/62/500181462.db2.gz RQBKPERMSBTMLP-UHFFFAOYSA-N 2 0 350.466 3.232 20 0 FGADRP CC(C)c1ccc([C@@H]([NH3+])CNC(=O)NC[C@@H](c2ccsc2)[NH+](C)C)cc1 ZINC000417018777 500185194 /nfs/dbraw/zinc/18/51/94/500185194.db2.gz QJOKWOKPYQFUKW-OALUTQOASA-N 2 0 374.554 3.473 20 0 FGADRP C[C@@H](NC(=O)N[C@H](C[NH3+])c1ccc2ccccc2c1)C(C)(C)C[NH+](C)C ZINC000417857883 500185207 /nfs/dbraw/zinc/18/52/07/500185207.db2.gz OUZKOOVVEUHGNF-DNVCBOLYSA-N 2 0 356.514 3.115 20 0 FGADRP Cc1cc(C(C)(C)C)ccc1OC[C@H](O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000579463670 506181152 /nfs/dbraw/zinc/18/11/52/506181152.db2.gz FAZRTVBDODGFOH-RAFMOHDBSA-N 2 0 360.542 3.247 20 0 FGADRP CCCC[N@H+](CC)Cc1cccc(CNC(=O)N2C[C@H]3CC[NH2+]C[C@H]3C2)c1 ZINC000417873355 500188934 /nfs/dbraw/zinc/18/89/34/500188934.db2.gz JDYSUQLTWOKMDE-RTWAWAEBSA-N 2 0 372.557 3.060 20 0 FGADRP CC(C)C[C@H](CNC(=O)N[C@@H]1CC[C@H](C[NH3+])C1)[NH2+][C@H](C)c1ccccc1 ZINC000417883475 500191208 /nfs/dbraw/zinc/19/12/08/500191208.db2.gz WLIBHLZVXWCJAO-PIKOESSRSA-N 2 0 360.546 3.179 20 0 FGADRP CC(C)[N@@H+]1CCc2nc(CN3CC[NH+]([C@@H]4C[C@@H]4C)C[C@H](C)C3)sc2C1 ZINC000430154803 500201319 /nfs/dbraw/zinc/20/13/19/500201319.db2.gz YCRPIHRRUVUOQY-SOLBZPMBSA-N 2 0 362.587 3.072 20 0 FGADRP C[C@@H](NC(=O)N(CCC[NH3+])CC1CCCC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000417992486 500211297 /nfs/dbraw/zinc/21/12/97/500211297.db2.gz MQAJLQMTXYSWET-IEBWSBKVSA-N 2 0 364.578 3.190 20 0 FGADRP CC(C)N1CC[C@@H](NC(=O)NC(C)(C)C[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000418008614 500213585 /nfs/dbraw/zinc/21/35/85/500213585.db2.gz RLJXGGBABNBWBB-CVEARBPZSA-N 2 0 370.900 3.039 20 0 FGADRP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000418034854 500217771 /nfs/dbraw/zinc/21/77/71/500217771.db2.gz OXEBRPBRFZUDSF-JKWVGCSGSA-N 2 0 372.557 3.067 20 0 FGADRP CC[NH2+]CC1CCN(C(=O)N[C@@H](C[N@H+](C)Cc2ccccc2)C(C)C)CC1 ZINC000418037019 500218062 /nfs/dbraw/zinc/21/80/62/500218062.db2.gz QOBXKJVXSBXNAL-NRFANRHFSA-N 2 0 374.573 3.174 20 0 FGADRP O=C(NCc1cccc(C[NH+]2CCCCCC2)c1)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000426089980 500234584 /nfs/dbraw/zinc/23/45/84/500234584.db2.gz IRRQPBCIOWPJRK-NRFANRHFSA-N 2 0 355.526 3.306 20 0 FGADRP C[NH+](C)C1CCC(NC(=O)N2CC[N@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC000422233766 500238701 /nfs/dbraw/zinc/23/87/01/500238701.db2.gz CVKJAPBWOMBIQZ-UHFFFAOYSA-N 2 0 372.557 3.165 20 0 FGADRP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000418156875 500238844 /nfs/dbraw/zinc/23/88/44/500238844.db2.gz NUDDEDGIHRBRJJ-ZCNNSNEGSA-N 2 0 372.557 3.104 20 0 FGADRP CCC[N@H+](C)[C@@H](CNC(=O)N1CCC[C@H]1C[NH2+]C)c1ccc(Cl)cc1 ZINC000418163600 500240381 /nfs/dbraw/zinc/24/03/81/500240381.db2.gz DRMJMVYGZVQVAT-ROUUACIJSA-N 2 0 366.937 3.116 20 0 FGADRP CCC[N@H+](C)[C@H](CNC(=O)N(C)C1CC[NH2+]CC1)c1ccc(Cl)cc1 ZINC000418185659 500245007 /nfs/dbraw/zinc/24/50/07/500245007.db2.gz RBHCLVAFZWSMTL-GOSISDBHSA-N 2 0 366.937 3.116 20 0 FGADRP CC(C)Cc1ccc([C@H](CNC(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)[NH+](C)C)cc1 ZINC000418188995 500245731 /nfs/dbraw/zinc/24/57/31/500245731.db2.gz GXZTYCJVUVYLQW-HKBOAZHASA-N 2 0 372.557 3.024 20 0 FGADRP C[NH2+]C[C@H]1CCCN(C(=O)NC[C@H](c2ccc(CC(C)C)cc2)[NH+](C)C)C1 ZINC000418190826 500246332 /nfs/dbraw/zinc/24/63/32/500246332.db2.gz JSBWUOOKJVIIKZ-TZIWHRDSSA-N 2 0 374.573 3.129 20 0 FGADRP Cc1ccccc1[C@H]([C@@H](C)NC(=O)N1CCC2(CC[NH2+]CC2)CC1)[NH+](C)C ZINC000418193320 500246668 /nfs/dbraw/zinc/24/66/68/500246668.db2.gz ZIHWHGLNJQGYER-QUCCMNQESA-N 2 0 372.557 3.161 20 0 FGADRP C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000573407240 506188451 /nfs/dbraw/zinc/18/84/51/506188451.db2.gz INORBAOQJZKIEN-DENIHFKCSA-N 2 0 370.585 3.276 20 0 FGADRP CCc1ccc([C@H](CNC(=O)N2CCC[C@H](C[NH2+]C)C2)[NH+](CC)CC)cc1 ZINC000418209807 500249658 /nfs/dbraw/zinc/24/96/58/500249658.db2.gz FXBCVFFLNVRLMT-CTNGQTDRSA-N 2 0 374.573 3.273 20 0 FGADRP CCc1ccc([C@@H](CNC(=O)N2CCC(C[NH3+])CC2)[NH+](CC)CC)cc1 ZINC000418212251 500250319 /nfs/dbraw/zinc/25/03/19/500250319.db2.gz JIYCGPZQJHPICY-HXUWFJFHSA-N 2 0 360.546 3.012 20 0 FGADRP CC[NH2+]CC1CC[NH+]([C@@H]2CCN(c3ccc(C(F)(F)F)cc3)C2=O)CC1 ZINC000430594838 500260313 /nfs/dbraw/zinc/26/03/13/500260313.db2.gz WHZXNTNLCAXHAR-QGZVFWFLSA-N 2 0 369.431 3.132 20 0 FGADRP CCCN(C(=O)NC[C@H]1CCC[NH2+]C1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000418308490 500260522 /nfs/dbraw/zinc/26/05/22/500260522.db2.gz BTNCTBOGGKXYQN-LEWJYISDSA-N 2 0 372.557 3.072 20 0 FGADRP CC(C)c1ccc([C@@H]([NH3+])CNC(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)cc1 ZINC000418321790 500261932 /nfs/dbraw/zinc/26/19/32/500261932.db2.gz CQOAGGMKEMQPHB-SFTDATJTSA-N 2 0 372.557 3.183 20 0 FGADRP C[C@H](NC(=O)N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1)[C@H]1CCC[NH2+]C1 ZINC000418340394 500264574 /nfs/dbraw/zinc/26/45/74/500264574.db2.gz LHGXVSJSUHVAIU-BJLQDIEVSA-N 2 0 364.578 3.061 20 0 FGADRP CC(C)c1ccc([C@H]([NH3+])CNC(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)cc1 ZINC000418347585 500265778 /nfs/dbraw/zinc/26/57/78/500265778.db2.gz IOCVLFDHMLUDAX-LEWJYISDSA-N 2 0 372.557 3.470 20 0 FGADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)NC[C@H]([NH3+])c2ccc(C(C)C)cc2)C1 ZINC000418352012 500266988 /nfs/dbraw/zinc/26/69/88/500266988.db2.gz MBNMBNHGHBJAIF-XLIONFOSSA-N 2 0 360.546 3.183 20 0 FGADRP CC[NH+](CC)CCCC1CCN(C(=O)N[C@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000418407568 500273080 /nfs/dbraw/zinc/27/30/80/500273080.db2.gz FVRSIANSHKHJQF-OALUTQOASA-N 2 0 352.567 3.048 20 0 FGADRP COc1cc(C[N@@H+]2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)ccc1OCC(F)(F)F ZINC000422564724 500275250 /nfs/dbraw/zinc/27/52/50/500275250.db2.gz WSJWJVUQLOLGDQ-IPYPFGDCSA-N 2 0 360.420 3.442 20 0 FGADRP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000418427860 500275391 /nfs/dbraw/zinc/27/53/91/500275391.db2.gz OHENAQLYYLGELV-HKBOAZHASA-N 2 0 372.557 3.058 20 0 FGADRP CCC([NH3+])(CC)CNC(=O)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000418432746 500275974 /nfs/dbraw/zinc/27/59/74/500275974.db2.gz AWWUPNNPGICRJY-UHFFFAOYSA-N 2 0 372.557 3.202 20 0 FGADRP CCCC[C@H](C[NH3+])NC(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000418472106 500280728 /nfs/dbraw/zinc/28/07/28/500280728.db2.gz SDAQMCJUNVNPMN-HXUWFJFHSA-N 2 0 372.557 3.202 20 0 FGADRP COc1cccc(OC)c1Oc1ccc(C[NH2+][C@H]2CC[NH2+]CC[C@@H]2C)cn1 ZINC000422700214 500287121 /nfs/dbraw/zinc/28/71/21/500287121.db2.gz BTCRFCFVDLHSJN-RDJZCZTQSA-N 2 0 371.481 3.369 20 0 FGADRP CC(=O)Nc1ccc(CC[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422710902 500288296 /nfs/dbraw/zinc/28/82/96/500288296.db2.gz GKGZCNQKKKCTKG-RBBKRZOGSA-N 2 0 365.477 3.033 20 0 FGADRP COc1ccc(CC[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1OC ZINC000422725736 500289747 /nfs/dbraw/zinc/28/97/47/500289747.db2.gz CCSFRNJBPTYHAR-GCJKJVERSA-N 2 0 368.477 3.092 20 0 FGADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000418549645 500290682 /nfs/dbraw/zinc/29/06/82/500290682.db2.gz GCOIJUQMPMAQMK-UHFFFAOYSA-N 2 0 366.509 3.083 20 0 FGADRP C[N@H+](Cc1ccccc1C[NH2+][C@H](C1CC1)[C@H]1CNCCO1)C1CCCCC1 ZINC000422727681 500290720 /nfs/dbraw/zinc/29/07/20/500290720.db2.gz DBUWVZOKMZWEHW-DHIUTWEWSA-N 2 0 371.569 3.308 20 0 FGADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000422727631 500290910 /nfs/dbraw/zinc/29/09/10/500290910.db2.gz HQPYJPOMQZAHJQ-RYQLBKOJSA-N 2 0 355.448 3.387 20 0 FGADRP COc1ccc(OC)c(CC[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000422766550 500295191 /nfs/dbraw/zinc/29/51/91/500295191.db2.gz RVJVMDXUWAQJHT-KNQAVFIVSA-N 2 0 368.477 3.092 20 0 FGADRP COc1cccc([C@H](CN[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)[NH+]2CCCC2)c1 ZINC000422760336 500295443 /nfs/dbraw/zinc/29/54/43/500295443.db2.gz LVGLBPWIGAXSFA-MBDNFAEBSA-N 2 0 357.542 3.342 20 0 FGADRP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000418601953 500295556 /nfs/dbraw/zinc/29/55/56/500295556.db2.gz ABWIIJSGPRRSLJ-TZIWHRDSSA-N 2 0 372.557 3.058 20 0 FGADRP COc1ccc(C[NH+]2CCC(C[NH2+][C@H](C)c3cnccc3N)CC2)cc1 ZINC000422782882 500297123 /nfs/dbraw/zinc/29/71/23/500297123.db2.gz NPLBVCGITZWQHM-MRXNPFEDSA-N 2 0 354.498 3.066 20 0 FGADRP CCOc1cc2c(cc1C[NH2+][C@@H](C)c1ccc(C[NH3+])nc1C)O[C@@H](C)C2 ZINC000422785974 500297324 /nfs/dbraw/zinc/29/73/24/500297324.db2.gz PXRRMIHTGAMASF-KBPBESRZSA-N 2 0 355.482 3.422 20 0 FGADRP C[NH+](C)CCN(C(=O)Nc1ccc(Cl)cc1Cl)C1CC[NH+](C)CC1 ZINC000426646278 500300389 /nfs/dbraw/zinc/30/03/89/500300389.db2.gz IFGRWIJBPCZTDE-UHFFFAOYSA-N 2 0 373.328 3.483 20 0 FGADRP CCOC(=O)C1([C@@H](C)[NH2+][C@@H](C)c2ccc(OC(F)F)cc2)CC[NH2+]CC1 ZINC000422809224 500300538 /nfs/dbraw/zinc/30/05/38/500300538.db2.gz RKQMPLMGSVPOAT-UONOGXRCSA-N 2 0 370.440 3.260 20 0 FGADRP CN(C)[C@H](C[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ccsc1 ZINC000422809221 500300687 /nfs/dbraw/zinc/30/06/87/500300687.db2.gz RKBFLRSUIUNQIZ-QWFCFKBJSA-N 2 0 357.523 3.196 20 0 FGADRP COc1ccc([C@@H](NCc2cccc(C[NH+](C)C)c2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422810071 500301251 /nfs/dbraw/zinc/30/12/51/500301251.db2.gz RBUOIMHLMLDVRP-FCHUYYIVSA-N 2 0 353.510 3.340 20 0 FGADRP CC[C@@H]1Oc2cc([C@@H](C)[NH2+][C@H](C)c3ccc(C[NH3+])nc3C)ccc2NC1=O ZINC000422812787 500301324 /nfs/dbraw/zinc/30/13/24/500301324.db2.gz QXVIWQXXVDSRDT-VPZZIHKRSA-N 2 0 368.481 3.370 20 0 FGADRP [NH3+][C@H]1CCCCCC[C@@H]1C(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000430883452 500301603 /nfs/dbraw/zinc/30/16/03/500301603.db2.gz QBAQXYVWNYNKII-OALUTQOASA-N 2 0 361.555 3.472 20 0 FGADRP C[NH+](C)CCCC1CCN(C(=O)N[C@H](CCC[NH3+])c2ccccc2)CC1 ZINC000418654120 500301867 /nfs/dbraw/zinc/30/18/67/500301867.db2.gz AAXRZVWMWDCKFE-HXUWFJFHSA-N 2 0 360.546 3.230 20 0 FGADRP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@H]2[NH2+]Cc1ccc(N2CCCC2)nc1 ZINC000422828666 500303474 /nfs/dbraw/zinc/30/34/74/500303474.db2.gz OUEBVWCYKBHUIQ-DENIHFKCSA-N 2 0 364.493 3.027 20 0 FGADRP COc1ccc([C@H](NC2CC[NH+](C3CCCC3)CC2)[C@H]2CCC[NH2+]2)cc1 ZINC000422838487 500304339 /nfs/dbraw/zinc/30/43/39/500304339.db2.gz ONVQIOGYDCQFGJ-YADHBBJMSA-N 2 0 357.542 3.485 20 0 FGADRP COc1ccccc1N1CC[C@@H](C[NH2+][C@@H](C)c2ccc(C[NH3+])nc2C)C1 ZINC000422850814 500305508 /nfs/dbraw/zinc/30/55/08/500305508.db2.gz ODKAYPFCEKSDDG-RDJZCZTQSA-N 2 0 354.498 3.034 20 0 FGADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]Cc1ccc(COCc2ccccc2)cc1 ZINC000422856859 500306754 /nfs/dbraw/zinc/30/67/54/500306754.db2.gz GSVABUCIDXZLFA-HSQYWUDLSA-N 2 0 354.494 3.245 20 0 FGADRP C[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1)N1CCN(c2ccccc2)CC1 ZINC000422866108 500307444 /nfs/dbraw/zinc/30/74/44/500307444.db2.gz PUQGUCNCEHROKY-YPIGPJMWSA-N 2 0 370.585 3.098 20 0 FGADRP C[C@H](C[C@H](C)[NH3+])[NH2+]CC1(c2ccc(Br)cc2)CCOCC1 ZINC000422875702 500308565 /nfs/dbraw/zinc/30/85/65/500308565.db2.gz CWTIKAVQRXCPJR-UONOGXRCSA-N 2 0 355.320 3.213 20 0 FGADRP COc1ccc(CC[NH2+][C@H](Cc2ccccc2)[C@@H](C)[NH3+])cc1OC(F)F ZINC000422878885 500309465 /nfs/dbraw/zinc/30/94/65/500309465.db2.gz LEDMSNFKFUYOHZ-RHSMWYFYSA-N 2 0 364.436 3.387 20 0 FGADRP c1ccc2c(c1)OCC[C@@H]2C[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422882096 500310097 /nfs/dbraw/zinc/31/00/97/500310097.db2.gz AFIFCONBBGSBMM-GTCCEBARSA-N 2 0 350.462 3.398 20 0 FGADRP CC[NH+](CC)CCN(Cc1ccccc1)C(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000418706756 500310322 /nfs/dbraw/zinc/31/03/22/500310322.db2.gz BEAMGUKMHNVEQW-WOJBJXKFSA-N 2 0 360.546 3.058 20 0 FGADRP COc1cc(OC)c(CC[NH2+][C@H](C)C[C@H]2CCCCC[NH2+]2)c(OC)c1 ZINC000422884269 500310367 /nfs/dbraw/zinc/31/03/67/500310367.db2.gz DQVCAVQOAQCVHT-HZPDHXFCSA-N 2 0 350.503 3.155 20 0 FGADRP C[C@@H]([NH2+]CC1(c2ccc(Br)cc2)CCOCC1)[C@H]1CCC[NH2+]1 ZINC000422883263 500310511 /nfs/dbraw/zinc/31/05/11/500310511.db2.gz UOPSMVMRTZRWPD-RHSMWYFYSA-N 2 0 367.331 3.227 20 0 FGADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]CC1(c2ccc(Br)cc2)CCOCC1 ZINC000422885425 500310566 /nfs/dbraw/zinc/31/05/66/500310566.db2.gz YPAPWUFRCIROPE-RHSMWYFYSA-N 2 0 367.331 3.214 20 0 FGADRP C[NH2+]CC1CC[NH+]([C@@H](C)C(=O)N[C@H](C)c2ccc(Cl)cc2Cl)CC1 ZINC000430946068 500311660 /nfs/dbraw/zinc/31/16/60/500311660.db2.gz UYXZPQJZADVUND-OLZOCXBDSA-N 2 0 372.340 3.491 20 0 FGADRP COc1cccc(C2(C[NH2+][C@@H]3CCOC[C@@H]3[C@H]3CCC[NH2+]3)CCCC2)c1 ZINC000422890081 500311767 /nfs/dbraw/zinc/31/17/67/500311767.db2.gz RCDQKLUTSLKTEO-NJDAHSKKSA-N 2 0 358.526 3.254 20 0 FGADRP CCOC(=O)C1([C@@H](C)[NH2+][C@@H](C)c2ccc(OC(C)C)cc2)CC[NH2+]CC1 ZINC000422888944 500311861 /nfs/dbraw/zinc/31/18/61/500311861.db2.gz DZHKIUKSHYXDMR-DLBZAZTESA-N 2 0 362.514 3.446 20 0 FGADRP COc1ccc(Cl)cc1N1CC[C@H]([NH2+][C@@H](Cc2ccccc2)[C@@H](C)[NH3+])C1 ZINC000422901375 500313804 /nfs/dbraw/zinc/31/38/04/500313804.db2.gz BWVIADMYUZTGDJ-MNEFBYGVSA-N 2 0 373.928 3.475 20 0 FGADRP COC[C@H]([NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ccc(F)cc1 ZINC000422919886 500317108 /nfs/dbraw/zinc/31/71/08/500317108.db2.gz LFTDXEHRSJNRJD-SVFBPWRDSA-N 2 0 356.441 3.359 20 0 FGADRP CCOC(=O)C1([C@H](C)[NH2+][C@@H]2C[C@@H](OCC)C23CCCCC3)CC[NH2+]CC1 ZINC000422921276 500317217 /nfs/dbraw/zinc/31/72/17/500317217.db2.gz PLGUHILYYLDPPF-RCCFBDPRSA-N 2 0 366.546 3.025 20 0 FGADRP C[C@@H](CCCC[NH3+])[NH2+]C[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000422940065 500320250 /nfs/dbraw/zinc/32/02/50/500320250.db2.gz IMMSGFSIAVXYFE-GJZGRUSLSA-N 2 0 354.336 3.383 20 0 FGADRP COc1ccc(CC[NH+]2CCC(CC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)cc1 ZINC000426787499 500320911 /nfs/dbraw/zinc/32/09/11/500320911.db2.gz FGLPDSQHJZGPHZ-OALUTQOASA-N 2 0 360.542 3.449 20 0 FGADRP O=c1ccccn1Cc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)cc1 ZINC000422949396 500322854 /nfs/dbraw/zinc/32/28/54/500322854.db2.gz TZFDENHSJBXQJO-FDFHNCONSA-N 2 0 365.521 3.297 20 0 FGADRP CC1CC[NH+](Cc2ccccc2C[NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)CC1 ZINC000422970208 500325552 /nfs/dbraw/zinc/32/55/52/500325552.db2.gz VUYZMWAFMUHIJJ-XPWALMASSA-N 3 0 371.569 3.165 20 0 FGADRP FC(F)(F)c1ccc(OCC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)nc1 ZINC000422989561 500327678 /nfs/dbraw/zinc/32/76/78/500327678.db2.gz LSBKXESYYMEZMD-BZUAXINKSA-N 2 0 357.420 3.380 20 0 FGADRP CCOc1ccc(Cl)cc1CC[NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000423009322 500330155 /nfs/dbraw/zinc/33/01/55/500330155.db2.gz CPWOFYGWTAXPJA-FGTMMUONSA-N 2 0 352.906 3.028 20 0 FGADRP C[C@@H]1C[C@@H](N(C)C(=O)[C@@H]2CCC[NH+]2C2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000426889248 500333411 /nfs/dbraw/zinc/33/34/11/500333411.db2.gz LWKCIJHLLBQGDU-QMMLZNLJSA-N 2 0 355.526 3.125 20 0 FGADRP C[C@@H](CCCC[NH3+])[NH2+][C@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O ZINC000423037404 500333814 /nfs/dbraw/zinc/33/38/14/500333814.db2.gz BMORLMHTDRKAOM-YOEHRIQHSA-N 2 0 371.447 3.304 20 0 FGADRP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCN1CCc2c(Cl)cccc2C1 ZINC000423062277 500337588 /nfs/dbraw/zinc/33/75/88/500337588.db2.gz SUCULUOWKFJOSN-IIBYNOLFSA-N 2 0 357.929 3.246 20 0 FGADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]CCc1c[nH]c2cc(Cl)cc(Cl)c12 ZINC000423071248 500338521 /nfs/dbraw/zinc/33/85/21/500338521.db2.gz HOQYUOLCSNTJOS-ZBINZKHDSA-N 2 0 356.297 3.359 20 0 FGADRP COC(=O)c1csc(-c2cccc(C[NH2+]C3CCC(C[NH3+])CC3)c2)n1 ZINC000423080833 500339773 /nfs/dbraw/zinc/33/97/73/500339773.db2.gz SWGIAPOYVPMVMQ-UHFFFAOYSA-N 2 0 359.495 3.204 20 0 FGADRP CCOC(=O)C1([C@H](C)[NH2+][C@H]2CC[C@@H](c3ccc(F)cc3)C2)CC[NH2+]CC1 ZINC000423081045 500340115 /nfs/dbraw/zinc/34/01/15/500340115.db2.gz AWMJLGTWBLGJDA-WDYCEAGBSA-N 2 0 362.489 3.373 20 0 FGADRP C[C@H](C[C@H](C)[NH3+])[NH2+][C@H](CO)c1ccc(Br)cc1C(F)(F)F ZINC000423092522 500341190 /nfs/dbraw/zinc/34/11/90/500341190.db2.gz CENDMFHTZFLVHQ-IGJMFERPSA-N 2 0 369.225 3.217 20 0 FGADRP CCOC(=O)C1([C@H](C)[NH2+][C@@H]2CC[C@@H](c3cccc(F)c3)C2)CC[NH2+]CC1 ZINC000423093243 500341249 /nfs/dbraw/zinc/34/12/49/500341249.db2.gz GSEIHZDCHOMFSJ-KVSKMBFKSA-N 2 0 362.489 3.373 20 0 FGADRP CCOC(=O)C1([C@H](C)[NH2+][C@H]2C[C@H](c3cc(F)cc(F)c3)C2)CC[NH2+]CC1 ZINC000423094168 500341334 /nfs/dbraw/zinc/34/13/34/500341334.db2.gz JRHDANZGPCVTMK-YEWWUXTCSA-N 2 0 366.452 3.122 20 0 FGADRP O=C([C@H]1CCC[N@@H+]1C1CC1)N1CCC2(CC[NH+](Cc3ccccc3)C2)CC1 ZINC000426986586 500341435 /nfs/dbraw/zinc/34/14/35/500341435.db2.gz MDUZQTXMWBMKLF-OAQYLSRUSA-N 2 0 367.537 3.128 20 0 FGADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@@H]1CCCN(C(=O)CCC(F)(F)F)C1 ZINC000423112955 500343780 /nfs/dbraw/zinc/34/37/80/500343780.db2.gz SYNSPIBYKWKORW-BZUAXINKSA-N 2 0 363.468 3.220 20 0 FGADRP COC[C@H](CCC[NH3+])[NH2+][C@H]1c2cc(Br)ccc2CC1(C)C ZINC000423123156 500345335 /nfs/dbraw/zinc/34/53/35/500345335.db2.gz DHZCTRSEECJKGR-HOCLYGCPSA-N 2 0 355.320 3.416 20 0 FGADRP C[C@H](CCC[NH3+])[NH2+][C@H](Cc1ccc(F)cc1)[C@@H]1COc2ccccc2O1 ZINC000423128519 500345851 /nfs/dbraw/zinc/34/58/51/500345851.db2.gz KTROSEDOHMMZCN-FPDPHYFHSA-N 2 0 358.457 3.294 20 0 FGADRP C[C@H](CCC[NH3+])[NH2+][C@@H](Cc1ccc(F)cc1)[C@H]1COc2ccccc2O1 ZINC000423128521 500346658 /nfs/dbraw/zinc/34/66/58/500346658.db2.gz KTROSEDOHMMZCN-FYINFDKHSA-N 2 0 358.457 3.294 20 0 FGADRP C[C@H](CCC[NH3+])[NH2+][C@@H](Cc1ccc(F)cc1)[C@@H]1COc2ccccc2O1 ZINC000423128522 500346822 /nfs/dbraw/zinc/34/68/22/500346822.db2.gz KTROSEDOHMMZCN-YWMUFLPLSA-N 2 0 358.457 3.294 20 0 FGADRP CCCOc1c(OC)cc(CC[NH2+]C2CCC(C[NH3+])CC2)cc1OC ZINC000423158673 500349992 /nfs/dbraw/zinc/34/99/92/500349992.db2.gz WXVXPFIWDBNRLV-UHFFFAOYSA-N 2 0 350.503 3.142 20 0 FGADRP COc1cccc2c1C[C@H]([NH2+][C@@H]1C[C@]3(CC[NH2+]C3)Oc3ccccc31)C2 ZINC000423171905 500351194 /nfs/dbraw/zinc/35/11/94/500351194.db2.gz QMBOJIBSGZVFAT-PERKRYKHSA-N 2 0 350.462 3.008 20 0 FGADRP Clc1ccc2c(c1Cl)OCCC[C@H]2[NH2+]CCCN1CC[NH2+]CC1 ZINC000423174367 500351407 /nfs/dbraw/zinc/35/14/07/500351407.db2.gz AOKJHLRKRADDJX-OAHLLOKOSA-N 2 0 358.313 3.092 20 0 FGADRP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000423180201 500351762 /nfs/dbraw/zinc/35/17/62/500351762.db2.gz KHWVUOGDYVVRRU-XNBWIAOKSA-N 2 0 371.569 3.034 20 0 FGADRP Cc1ccc(-c2nc3c(s2)[C@@H]([NH2+]CCCN2CC[NH2+]CC2)CCC3)cc1 ZINC000423187938 500353581 /nfs/dbraw/zinc/35/35/81/500353581.db2.gz YPCIXEZRAIHRCB-SFHVURJKSA-N 2 0 370.566 3.381 20 0 FGADRP C[C@H]([NH2+]CC[C@@H]1CC[NH2+]C1)c1ccc(OC[C@@H]2CCCCO2)c(F)c1 ZINC000423250522 500358486 /nfs/dbraw/zinc/35/84/86/500358486.db2.gz QMSGGMZCIMHSSU-BQFCYCMXSA-N 2 0 350.478 3.424 20 0 FGADRP C[C@H](CCc1ccc(I)cc1)[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000423254427 500358709 /nfs/dbraw/zinc/35/87/09/500358709.db2.gz YAWBOZMGFUCKDP-UKRRQHHQSA-N 2 0 372.294 3.202 20 0 FGADRP COc1ccc(Cc2nc(C)c([C@@H](C)[NH2+]C[C@H](C)C[NH3+])s2)cc1OC ZINC000423296220 500362582 /nfs/dbraw/zinc/36/25/82/500362582.db2.gz GJQFHSAPFYXKOT-CHWSQXEVSA-N 2 0 363.527 3.305 20 0 FGADRP C[C@H]([NH3+])c1ccc(C(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)cc1 ZINC000423322770 500364245 /nfs/dbraw/zinc/36/42/45/500364245.db2.gz GXESWCJPUJCQTI-HNNXBMFYSA-N 2 0 355.457 3.240 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)c1ccccc1CC[NH2+]C)c1ccsc1 ZINC000423325740 500364991 /nfs/dbraw/zinc/36/49/91/500364991.db2.gz LLYFJWDKRWONML-IBGZPJMESA-N 2 0 359.539 3.323 20 0 FGADRP CC[C@@H](CNC(=O)c1ccc([C@H](C)[NH3+])cc1)[N@@H+]1CCc2ccccc2C1 ZINC000423336798 500365307 /nfs/dbraw/zinc/36/53/07/500365307.db2.gz VDIORTDBBYNOAF-KKSFZXQISA-N 2 0 351.494 3.273 20 0 FGADRP C[C@H]([NH3+])c1ccc(C(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)cc1 ZINC000423356493 500366926 /nfs/dbraw/zinc/36/69/26/500366926.db2.gz JYPIZLSPXGYVFX-HOTGVXAUSA-N 2 0 357.523 3.410 20 0 FGADRP C[NH2+]CCc1ccccc1C(=O)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000423355878 500367042 /nfs/dbraw/zinc/36/70/42/500367042.db2.gz IUFINEJLBTZHJO-LJQANCHMSA-N 2 0 357.542 3.033 20 0 FGADRP C[C@H]([NH3+])c1ccc(C(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)cc1 ZINC000423362380 500367751 /nfs/dbraw/zinc/36/77/51/500367751.db2.gz SXHZLCOEDJCDKC-PKOBYXMFSA-N 2 0 351.494 3.001 20 0 FGADRP C[NH2+]CCc1ccccc1C(=O)NCC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC000423374734 500368424 /nfs/dbraw/zinc/36/84/24/500368424.db2.gz IHGVXEFZTYHTRN-QGZVFWFLSA-N 2 0 353.510 3.308 20 0 FGADRP C[C@@H]([NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1cccc(C(F)(F)F)c1 ZINC000423392422 500369529 /nfs/dbraw/zinc/36/95/29/500369529.db2.gz QLGGCNPQMUWOMT-RISCZKNCSA-N 2 0 369.353 3.192 20 0 FGADRP C[C@H]([NH3+])c1ccc(C(=O)N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000423407648 500371652 /nfs/dbraw/zinc/37/16/52/500371652.db2.gz MWGHGCPTOCRXJM-PKOBYXMFSA-N 2 0 351.494 3.300 20 0 FGADRP C[C@H]([NH3+])c1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000423409060 500371680 /nfs/dbraw/zinc/37/16/80/500371680.db2.gz BHNLUVZRXNKTOU-XGHQBKJUSA-N 2 0 351.494 3.347 20 0 FGADRP C[C@@H]([NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1)c1ccc(I)cc1 ZINC000423425311 500373592 /nfs/dbraw/zinc/37/35/92/500373592.db2.gz DKSVIOWIVPBGNL-XFBWCDHKSA-N 2 0 370.278 3.330 20 0 FGADRP [NH3+]Cc1cn([C@@H]2CCC[N@H+](Cc3ccc(-c4ccc(F)cc4)s3)C2)nn1 ZINC000570542713 506191809 /nfs/dbraw/zinc/19/18/09/506191809.db2.gz XDKBAJCZOZDOLX-QGZVFWFLSA-N 2 0 371.485 3.442 20 0 FGADRP Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@@H]2[NH2+][C@H](C)CCCC[NH3+])cc1 ZINC000423437403 500375033 /nfs/dbraw/zinc/37/50/33/500375033.db2.gz QKZWNXLSQPQZCK-NZSAHSFTSA-N 2 0 352.544 3.187 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)C[C@H]1CCC[NH2+]CC1 ZINC000427273102 500376268 /nfs/dbraw/zinc/37/62/68/500376268.db2.gz HLPNRNCDOTUPAQ-MOPGFXCFSA-N 2 0 357.542 3.457 20 0 FGADRP C[C@H]([NH2+][C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)c1ccc(C(C)(C)C)cc1 ZINC000423460996 500376457 /nfs/dbraw/zinc/37/64/57/500376457.db2.gz SJAKYWQZMULGMY-DLVCFXQMSA-N 2 0 357.542 3.282 20 0 FGADRP CCN(C(=O)C[C@@H]1CCC[NH2+]CC1)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000427288519 500377977 /nfs/dbraw/zinc/37/79/77/500377977.db2.gz PVKSPORJSFDMQV-QKNQBKEWSA-N 2 0 357.542 3.450 20 0 FGADRP COC(=O)C[C@@H]1CC[C@H]([NH2+]C[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)[C@@H]1C ZINC000423481935 500378117 /nfs/dbraw/zinc/37/81/17/500378117.db2.gz XDGYXNYCUDYPPJ-NWUDTAHTSA-N 2 0 362.489 3.086 20 0 FGADRP c1ccc2c(c1)[nH]c1c2CCC[C@H]1[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000423502613 500379761 /nfs/dbraw/zinc/37/97/61/500379761.db2.gz CZTWEBGUCHQYBV-MYKUNDNFSA-N 2 0 352.526 3.351 20 0 FGADRP CCc1ccccc1[C@H]([NH3+])CN[C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000423518026 500380929 /nfs/dbraw/zinc/38/09/29/500380929.db2.gz ZAUXIEQGGAXLRR-MTNREXPMSA-N 2 0 352.526 3.144 20 0 FGADRP CCc1ccccc1[C@H]([NH3+])CN[C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000423518029 500381033 /nfs/dbraw/zinc/38/10/33/500381033.db2.gz ZAUXIEQGGAXLRR-ZPMCFJSWSA-N 2 0 352.526 3.144 20 0 FGADRP C[C@H]([NH2+][C@H]1CC[C@H](C[NH3+])C1)c1ccc(F)c(I)c1 ZINC000423521598 500381625 /nfs/dbraw/zinc/38/16/25/500381625.db2.gz XEKJPTPJGKGIBM-NHCYSSNCSA-N 2 0 362.230 3.208 20 0 FGADRP Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+]C2CCC([NH+]3CCNCC3)CC2)C1 ZINC000423518362 500381786 /nfs/dbraw/zinc/38/17/86/500381786.db2.gz ZQANLUVHMVCQEZ-NFYVFUGESA-N 2 0 356.558 3.222 20 0 FGADRP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH2+][C@@H]4CC[C@@H]5C[NH2+]C[C@@H]5C4)[C@H]3C2)cc1 ZINC000423551899 500384082 /nfs/dbraw/zinc/38/40/82/500384082.db2.gz URQNWFPVWTZSLK-YOCVKEFZSA-N 3 0 353.554 3.265 20 0 FGADRP CC(C)O[C@@H]1C[C@@H]([NH2+]CC2(N)CC[NH+](Cc3ccccc3)CC2)C1(C)C ZINC000423581784 500387014 /nfs/dbraw/zinc/38/70/14/500387014.db2.gz ZLAPQHPTTNDILA-WOJBJXKFSA-N 2 0 359.558 3.162 20 0 FGADRP C[NH+](C)[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1)c1cccc(F)c1 ZINC000431562457 500392256 /nfs/dbraw/zinc/39/22/56/500392256.db2.gz WYQDFRZATFVNCN-PMACEKPBSA-N 2 0 361.505 3.342 20 0 FGADRP COc1ccccc1[C@@H](CNC(=O)CC[C@H]1CCCC[N@@H+]1C)[NH+]1CCCC1 ZINC000431572951 500393586 /nfs/dbraw/zinc/39/35/86/500393586.db2.gz YWVAYRMHUIOONK-UYAOXDASSA-N 2 0 373.541 3.213 20 0 FGADRP Cc1nc2ccccc2n1C1CCN(C(=O)NCCC2=CC[NH2+]CC2)CC1 ZINC000570549662 506192905 /nfs/dbraw/zinc/19/29/05/506192905.db2.gz VDYFVFUISBFARP-UHFFFAOYSA-N 2 0 367.497 3.001 20 0 FGADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)NCC2CC[NH+](CCC(C)C)CC2)C[C@H]1C ZINC000431653177 500403714 /nfs/dbraw/zinc/40/37/14/500403714.db2.gz YWTMFLNJPQXRMJ-UYAOXDASSA-N 2 0 366.594 3.259 20 0 FGADRP [NH3+]C1CC[NH+](CCCC(=O)N2CCC[C@H]2CCCc2ccccc2)CC1 ZINC000423815549 500405640 /nfs/dbraw/zinc/40/56/40/500405640.db2.gz WJPXCXDLFVCVJP-OAQYLSRUSA-N 2 0 357.542 3.204 20 0 FGADRP C[C@@H]([NH3+])c1ccc(C(=O)NC2CC[NH+]([C@@H](C)c3ccncc3)CC2)cc1 ZINC000423855234 500412427 /nfs/dbraw/zinc/41/24/27/500412427.db2.gz VNBZODCLEHIRLY-CVEARBPZSA-N 2 0 352.482 3.057 20 0 FGADRP C[C@H](CC(=O)N[C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)C1CC[NH2+]CC1 ZINC000423878450 500415235 /nfs/dbraw/zinc/41/52/35/500415235.db2.gz UMYCWVUEOMQPBS-OPYAIIAOSA-N 2 0 357.542 3.039 20 0 FGADRP C[C@@H]1C[C@@H](CCNC(=O)CCC2CC[NH2+]CC2)C[N@@H+]1Cc1ccccc1 ZINC000423906559 500417864 /nfs/dbraw/zinc/41/78/64/500417864.db2.gz QLRJVGIIESFRLC-WIYYLYMNSA-N 2 0 357.542 3.183 20 0 FGADRP CC(C)[C@H](C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1)[C@H](C)[NH3+] ZINC000423917981 500419082 /nfs/dbraw/zinc/41/90/82/500419082.db2.gz ZRORKTWXNMFHGS-WJMWBRGCSA-N 2 0 357.542 3.119 20 0 FGADRP C[NH+](C)CCN(Cc1cccs1)C(=O)C[C@@H](c1ccccc1)[NH+](C)C ZINC000431864530 500436419 /nfs/dbraw/zinc/43/64/19/500436419.db2.gz JVXOYJAZIWEIBK-IBGZPJMESA-N 2 0 359.539 3.331 20 0 FGADRP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CC[C@H](CSc2ccccc2)C1 ZINC000420305323 500437171 /nfs/dbraw/zinc/43/71/71/500437171.db2.gz PLFMAMMNSXKLGC-JBACZVJFSA-N 2 0 356.535 3.032 20 0 FGADRP COc1ccc([C@@H](C[NH3+])C[N@@H+]2CCC[C@H](C(=O)Nc3ccccc3)C2)cc1 ZINC000420302900 500437477 /nfs/dbraw/zinc/43/74/77/500437477.db2.gz JYIICFWVYQBYNW-OALUTQOASA-N 2 0 367.493 3.088 20 0 FGADRP Brc1cccc(OCC[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)c1 ZINC000420308802 500438191 /nfs/dbraw/zinc/43/81/91/500438191.db2.gz DGYSZJWQKWPSRW-OAHLLOKOSA-N 2 0 353.304 3.149 20 0 FGADRP Cc1ncsc1C[N@H+](CCCCC1CCOCC1)C[C@@H]1CC[NH2+]C1 ZINC000420311079 500438928 /nfs/dbraw/zinc/43/89/28/500438928.db2.gz MYXXWZPSJLGPRW-GOSISDBHSA-N 2 0 351.560 3.460 20 0 FGADRP [NH3+]C1(CNC(=O)c2ccccc2Cl)CC[NH+](Cc2ccccc2)CC1 ZINC000424035688 500440677 /nfs/dbraw/zinc/44/06/77/500440677.db2.gz FYDLXJLAHOEQFJ-UHFFFAOYSA-N 2 0 357.885 3.063 20 0 FGADRP CCOC(=O)c1oc2ccccc2c1C[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420323699 500441899 /nfs/dbraw/zinc/44/18/99/500441899.db2.gz GTRKEDXINFFDQM-HZPDHXFCSA-N 2 0 356.466 3.431 20 0 FGADRP Brc1ccccc1OCC[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420332751 500443395 /nfs/dbraw/zinc/44/33/95/500443395.db2.gz SHWYTTIWRBSKMY-GJZGRUSLSA-N 2 0 353.304 3.149 20 0 FGADRP C[C@H](c1nc(Cc2ccc(F)cc2)no1)[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420339943 500444621 /nfs/dbraw/zinc/44/46/21/500444621.db2.gz ZKDVAICXSJEXIW-PVAVHDDUSA-N 2 0 358.461 3.182 20 0 FGADRP C[C@@H]1[C@@H](c2ccc(Br)cc2)OCC[N@@H+]1CC[C@H]1CC[NH2+]C1 ZINC000420366130 500448654 /nfs/dbraw/zinc/44/86/54/500448654.db2.gz FNBASCBSCVLGBH-CPUCHLNUSA-N 2 0 353.304 3.211 20 0 FGADRP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](CCOc2ccc3ccccc3c2)CC1 ZINC000420386077 500452369 /nfs/dbraw/zinc/45/23/69/500452369.db2.gz UPIYPUHWQYYRLD-YADHBBJMSA-N 2 0 354.494 3.437 20 0 FGADRP CC(C)c1ccc([C@H](C)[N@@H+]2CC[C@@H]3[C@@H](C2)NC(=O)N3C2CC[NH2+]CC2)cc1 ZINC000420411139 500457526 /nfs/dbraw/zinc/45/75/26/500457526.db2.gz XFJYUQMEDIBUQO-ZLGUVYLKSA-N 2 0 370.541 3.091 20 0 FGADRP [NH3+]CC1(CC(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)CCCCC1 ZINC000424218811 500470797 /nfs/dbraw/zinc/47/07/97/500470797.db2.gz XFUNPIGAJPRUAE-VQTJNVASSA-N 2 0 355.526 3.019 20 0 FGADRP CCC[NH+]1CCC(NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000428146364 500474186 /nfs/dbraw/zinc/47/41/86/500474186.db2.gz OHNGXOFVUJLHTD-GHTZIAJQSA-N 2 0 372.557 3.213 20 0 FGADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H](Cc2ccncc2)c2cccs2)CC1 ZINC000424272402 500479725 /nfs/dbraw/zinc/47/97/25/500479725.db2.gz UCPRCYKHJCEATD-HKUYNNGSSA-N 2 0 358.555 3.043 20 0 FGADRP COc1ccc(Br)cc1C[N@@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424292890 500482539 /nfs/dbraw/zinc/48/25/39/500482539.db2.gz OPGXMEQYTPJRKH-CYBMUJFWSA-N 2 0 353.304 3.422 20 0 FGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+]Cc2ccc(F)c(Cl)c2Cl)CC1 ZINC000432244646 500487897 /nfs/dbraw/zinc/48/78/97/500487897.db2.gz CWCKXLBRYKLDMJ-CYBMUJFWSA-N 2 0 362.320 3.496 20 0 FGADRP COc1cc(Br)c(C[N@@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)cc1O ZINC000424372940 500492982 /nfs/dbraw/zinc/49/29/82/500492982.db2.gz GCOFDMVHYZAMMN-GFCCVEGCSA-N 2 0 369.303 3.127 20 0 FGADRP Cc1ccc([C@H](CNC(=O)Nc2cc(C)cc(C[NH3+])c2)[NH+]2CCCC2)o1 ZINC000424432385 500504214 /nfs/dbraw/zinc/50/42/14/500504214.db2.gz HFWLJRUNVMHTEV-SFHVURJKSA-N 2 0 356.470 3.314 20 0 FGADRP Cc1cc(C[NH3+])cc(NC(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000424432047 500504550 /nfs/dbraw/zinc/50/45/50/500504550.db2.gz HDLLPKNLBQQKKL-LJQANCHMSA-N 2 0 352.482 3.240 20 0 FGADRP [NH3+][C@@H]1CCCC[C@H]1NC(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000424455020 500508501 /nfs/dbraw/zinc/50/85/01/500508501.db2.gz QYDYRFOROGKKHK-KURKYZTESA-N 2 0 364.921 3.046 20 0 FGADRP C[C@H](NC(=O)NC1CCC([NH+](C)C)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000420827063 500510696 /nfs/dbraw/zinc/51/06/96/500510696.db2.gz RARHVCPLTBZCON-GUSVMJMASA-N 2 0 372.557 3.069 20 0 FGADRP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC1CCC([NH+](C)C)CC1 ZINC000420899582 500525485 /nfs/dbraw/zinc/52/54/85/500525485.db2.gz JUXDFXODWUGBFN-MWXLCCTBSA-N 2 0 372.557 3.023 20 0 FGADRP CC[N@@H+]1CCCN(C(=O)NCc2ccc(C[NH+]3CCCC[C@H]3C)cc2)CC1 ZINC000428702237 500546448 /nfs/dbraw/zinc/54/64/48/500546448.db2.gz USTDOMKAOGNADP-LJQANCHMSA-N 2 0 372.557 3.298 20 0 FGADRP CC[NH+]1CCC(NC(=O)C[NH+]2CCC(Cc3ccc(C)c(C)c3)CC2)CC1 ZINC000428719294 500548375 /nfs/dbraw/zinc/54/83/75/500548375.db2.gz JJUVKJFOASGYIO-UHFFFAOYSA-N 2 0 371.569 3.158 20 0 FGADRP C[C@H]1C[NH+](CCCC[NH2+]Cc2nc3ccc(F)cc3s2)C[C@H](C)O1 ZINC000428850507 500565796 /nfs/dbraw/zinc/56/57/96/500565796.db2.gz OCLDJHXICUXYBE-KBPBESRZSA-N 2 0 351.491 3.414 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1c[nH]nc1-c1ccc(C)cc1 ZINC000570606373 506204142 /nfs/dbraw/zinc/20/41/42/506204142.db2.gz MVTZJJRROQKWQJ-OAQYLSRUSA-N 2 0 369.557 3.233 20 0 FGADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@H](Cc1ccc(F)cc1)c1ccccc1 ZINC000447533559 500618882 /nfs/dbraw/zinc/61/88/82/500618882.db2.gz RPEIKURYHIWIBP-PGRDOPGGSA-N 2 0 355.501 3.335 20 0 FGADRP C[C@H]([NH2+]CCc1ccc(OCC[N@@H+]2C[C@H](C)[C@H](C)C2)cc1)c1ccnn1C ZINC000447589273 500630567 /nfs/dbraw/zinc/63/05/67/500630567.db2.gz XIXVMNODWNUMMO-OTWHNJEPSA-N 2 0 370.541 3.280 20 0 FGADRP [NH3+]C1CC[NH+](CCCC(=O)N[C@@H]2CCCC[C@H]2Cc2ccccc2)CC1 ZINC000433127697 500631454 /nfs/dbraw/zinc/63/14/54/500631454.db2.gz IXYUPGQOWBAZEM-PZJWPPBQSA-N 2 0 357.542 3.107 20 0 FGADRP CC(C)Oc1c(Cl)cccc1NC(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433129366 500632395 /nfs/dbraw/zinc/63/23/95/500632395.db2.gz NROPHPGPOBDSIP-UHFFFAOYSA-N 2 0 353.894 3.269 20 0 FGADRP CC(C)(CNC(=O)CCC[NH+]1CCC([NH3+])CC1)Cc1cccc(Cl)c1 ZINC000433167124 500638237 /nfs/dbraw/zinc/63/82/37/500638237.db2.gz HTVPTXAAHXIQSK-UHFFFAOYSA-N 2 0 365.949 3.228 20 0 FGADRP C[C@@H]1CCCN1C(=O)CC[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433212039 500648827 /nfs/dbraw/zinc/64/88/27/500648827.db2.gz DVRRQUPMOUBADX-HXUWFJFHSA-N 2 0 369.553 3.376 20 0 FGADRP C[NH+](C)Cc1cccc(C(=O)Nc2cccc3c2OCC[C@H]3[NH+](C)C)c1 ZINC000447724905 500653862 /nfs/dbraw/zinc/65/38/62/500653862.db2.gz ZDLLPQIVNVUSRT-LJQANCHMSA-N 2 0 353.466 3.386 20 0 FGADRP C[C@@H]1C[NH+](CCCC[NH2+]Cc2ncc(C(F)(F)F)s2)C[C@@H](C)O1 ZINC000433301943 500666714 /nfs/dbraw/zinc/66/67/14/500666714.db2.gz HLZWZNZWKIDSPZ-VXGBXAGGSA-N 2 0 351.438 3.141 20 0 FGADRP C[C@H](C(=O)N(c1nccs1)C1CCCCC1)[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443073192 500675295 /nfs/dbraw/zinc/67/52/95/500675295.db2.gz OXZGKDOKTUXEJP-HZPDHXFCSA-N 2 0 364.559 3.258 20 0 FGADRP Cc1ccc2cc(C[NH+]3CCC(CC[NH+]4CCOCC4)CC3)ccc2n1 ZINC000437716867 500685458 /nfs/dbraw/zinc/68/54/58/500685458.db2.gz NBFFCSDNVNVTDQ-UHFFFAOYSA-N 2 0 353.510 3.478 20 0 FGADRP C[C@H](c1cc2ccccc2o1)N(C)C(=O)CN1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000573564317 506212513 /nfs/dbraw/zinc/21/25/13/506212513.db2.gz DIMVJCONAZRGBP-SPUZQDLCSA-N 2 0 355.482 3.011 20 0 FGADRP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H](C)Cc3ccccc3F)cn2)CC1 ZINC000438080299 500735490 /nfs/dbraw/zinc/73/54/90/500735490.db2.gz LVLUQFYZMCAPLR-KRWDZBQOSA-N 2 0 356.489 3.083 20 0 FGADRP CC(C)[C@H]([NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1)c1ccc(Cl)cc1 ZINC000433783832 500743742 /nfs/dbraw/zinc/74/37/42/500743742.db2.gz SKOBASCLCXQEQH-FQEVSTJZSA-N 2 0 363.933 3.370 20 0 FGADRP C[NH+]1CCC(C[NH2+]CCCCOc2ccccc2)(N2CCCCC2)CC1 ZINC000438192596 500752812 /nfs/dbraw/zinc/75/28/12/500752812.db2.gz SQLRCQZHZFHORE-UHFFFAOYSA-N 2 0 359.558 3.386 20 0 FGADRP C[C@@H](NC(=O)N(C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1)C(C)(C)C[NH+](C)C ZINC000443678817 500754730 /nfs/dbraw/zinc/75/47/30/500754730.db2.gz DIZWNERTNDYYSU-UYAOXDASSA-N 2 0 374.573 3.269 20 0 FGADRP [NH3+][C@H](CCC(=O)NC1CC[NH+](Cc2ccccn2)CC1)CC1CCCCC1 ZINC000570713925 506214883 /nfs/dbraw/zinc/21/48/83/506214883.db2.gz CGCZSHXNAHSIMY-LJQANCHMSA-N 2 0 372.557 3.240 20 0 FGADRP O=C([C@@H]1CC[N@@H+](C2CCCCC2)C1)N1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000448449118 500761129 /nfs/dbraw/zinc/76/11/29/500761129.db2.gz PCUIHGFLEWTQNI-WAOWUJCRSA-N 2 0 359.558 3.116 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NCC2([NH+](C)C)CCCCCC2)[C@@H](C)C1 ZINC000448465232 500762425 /nfs/dbraw/zinc/76/24/25/500762425.db2.gz HNVIBFUNWSJZLC-ROUUACIJSA-N 2 0 352.567 3.013 20 0 FGADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)NCC2([NH+](C)C)CCCCCC2)[C@@H](C)C1 ZINC000448465233 500762580 /nfs/dbraw/zinc/76/25/80/500762580.db2.gz HNVIBFUNWSJZLC-ZWKOTPCHSA-N 2 0 352.567 3.013 20 0 FGADRP COc1ccc(C[NH2+]CC2CC[NH+](C)CC2)c(OCc2cccnc2)c1 ZINC000443980708 500786652 /nfs/dbraw/zinc/78/66/52/500786652.db2.gz RXEUHMMBIQCUCC-UHFFFAOYSA-N 2 0 355.482 3.101 20 0 FGADRP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@H+]2CC[C@@H](C(C)C)C2)CC1 ZINC000438479371 500790443 /nfs/dbraw/zinc/79/04/43/500790443.db2.gz PBCIPLJVBDNLCD-HXUWFJFHSA-N 2 0 357.542 3.007 20 0 FGADRP Cc1ccccc1C[NH+]1CCC(NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC000438564682 500802344 /nfs/dbraw/zinc/80/23/44/500802344.db2.gz WFFCCNRSPNCNEH-JOCHJYFZSA-N 2 0 369.553 3.483 20 0 FGADRP O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000434355646 500830784 /nfs/dbraw/zinc/83/07/84/500830784.db2.gz PBVBIUUGEYXIMQ-MOPGFXCFSA-N 2 0 374.529 3.123 20 0 FGADRP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](Cc2cccc3ccoc32)CC1 ZINC000449016693 500898786 /nfs/dbraw/zinc/89/87/86/500898786.db2.gz FVWHLPOOTLNRCD-UHFFFAOYSA-N 2 0 371.525 3.349 20 0 FGADRP C[NH+](C)CCN1CCC([NH2+]C2CC[NH+](C(C)(C)CC(C)(C)C)CC2)CC1 ZINC000449071635 500916936 /nfs/dbraw/zinc/91/69/36/500916936.db2.gz BTVZWCCBKWEAFL-UHFFFAOYSA-N 3 0 366.638 3.281 20 0 FGADRP C[NH+]1CCN(c2ccc(C[NH2+]C3CCC(OC4CCCC4)CC3)cn2)CC1 ZINC000449071199 500917335 /nfs/dbraw/zinc/91/73/35/500917335.db2.gz GPGTXLYZDQDBMI-UHFFFAOYSA-N 2 0 372.557 3.193 20 0 FGADRP c1cnc(N2CC[NH+](CCCC[NH2+][C@@H]3CCCC34CCCCC4)CC2)nc1 ZINC000449126114 500930716 /nfs/dbraw/zinc/93/07/16/500930716.db2.gz UNDCRZHTEAUNRR-HXUWFJFHSA-N 2 0 371.573 3.471 20 0 FGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+][C@H]2CSC[C@H]2C)CC1 ZINC000449132510 500931972 /nfs/dbraw/zinc/93/19/72/500931972.db2.gz UUCKXFHWFOTTQV-VKJFTORMSA-N 2 0 351.535 3.370 20 0 FGADRP CC[C@@H]1C[C@@H]([NH2+]Cc2c(Cl)cccc2N2CC[NH+](C)CC2)CCO1 ZINC000449166673 500938536 /nfs/dbraw/zinc/93/85/36/500938536.db2.gz FMQDENQBEYIVFO-JKSUJKDBSA-N 2 0 351.922 3.139 20 0 FGADRP CCO[C@@H](CC[NH+](C)C)C[NH2+]Cc1cnc(-c2ccccc2F)s1 ZINC000449222335 500951114 /nfs/dbraw/zinc/95/11/14/500951114.db2.gz LYKZLUWQUXIOJJ-AWEZNQCLSA-N 2 0 351.491 3.396 20 0 FGADRP COCCO[C@@H]1COCC[C@H]1[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449255822 500958672 /nfs/dbraw/zinc/95/86/72/500958672.db2.gz GKWUPKCDFCHPTF-RTBURBONSA-N 2 0 370.578 3.076 20 0 FGADRP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+]CCCCCS(C)(=O)=O)CC1 ZINC000449258806 500959432 /nfs/dbraw/zinc/95/94/32/500959432.db2.gz RFECEJWTSMLEAP-UHFFFAOYSA-N 2 0 360.608 3.470 20 0 FGADRP C[NH2+]CC1CC[NH+](Cc2cccc(NC(=O)c3ccc(OC)cc3)c2)CC1 ZINC000435377746 500962790 /nfs/dbraw/zinc/96/27/90/500962790.db2.gz ALIJEONJDJFITJ-UHFFFAOYSA-N 2 0 367.493 3.379 20 0 FGADRP COc1cc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)ccc1OCc1ccncc1 ZINC000435379596 500963695 /nfs/dbraw/zinc/96/36/95/500963695.db2.gz JUNDVIRGXCUBEE-XUVXKRRUSA-N 2 0 367.493 3.228 20 0 FGADRP COc1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cc1OCc1cccnc1 ZINC000435383340 500964689 /nfs/dbraw/zinc/96/46/89/500964689.db2.gz GQESNHIBCQHBKZ-ZCNNSNEGSA-N 2 0 367.493 3.228 20 0 FGADRP COc1cc(CN(C)C2CC[NH2+]CC2)cc(OC)c1OCc1ccccc1 ZINC000435386837 500965341 /nfs/dbraw/zinc/96/53/41/500965341.db2.gz VOQOVPYANOUDKO-UHFFFAOYSA-N 2 0 370.493 3.467 20 0 FGADRP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3cn(-c4ccccc4)nc3-c3cccnc3)C[C@@H]12 ZINC000435387660 500965837 /nfs/dbraw/zinc/96/58/37/500965837.db2.gz AYEUMGCDEYNJDG-DUXKGJEZSA-N 2 0 359.477 3.103 20 0 FGADRP O=C(NCC1CC[NH+](Cc2ccccc2)CC1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000440098113 500974509 /nfs/dbraw/zinc/97/45/09/500974509.db2.gz DSLAVULAKBRGSM-JOCHJYFZSA-N 2 0 369.553 3.422 20 0 FGADRP CCCOc1c(OC)cc(CC[NH2+]C2CC[NH+](C(C)C)CC2)cc1OC ZINC000449485207 501014433 /nfs/dbraw/zinc/01/44/33/501014433.db2.gz LERRJUQHVSIYKC-UHFFFAOYSA-N 2 0 364.530 3.498 20 0 FGADRP Fc1ccc(-c2cn3c(n2)CC[C@H]([NH2+][C@@H]2CC[N@@H+]4CCC[C@H]4C2)C3)c(F)c1 ZINC000449548437 501030237 /nfs/dbraw/zinc/03/02/37/501030237.db2.gz NHYRWEMDCXTTIW-IKGGRYGDSA-N 2 0 372.463 3.360 20 0 FGADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@@H]2CCO[C@@H](c3ccnn3C)C2)CC1 ZINC000449597310 501040398 /nfs/dbraw/zinc/04/03/98/501040398.db2.gz ZAHFJNXIZSXHQZ-RDPOXOKHSA-N 2 0 360.546 3.273 20 0 FGADRP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC2CCC(C[NH+](C)C)CC2)C1 ZINC000440796472 501049163 /nfs/dbraw/zinc/04/91/63/501049163.db2.gz LCGJRRMIHZUMTO-VIQWUECVSA-N 2 0 366.594 3.307 20 0 FGADRP C[NH+](C)CC1CCC(NC(=O)NCC2([NH+](C)C)CCCCCC2)CC1 ZINC000440833241 501054593 /nfs/dbraw/zinc/05/45/93/501054593.db2.gz NRZAJWZTNAUCRL-UHFFFAOYSA-N 2 0 352.567 3.061 20 0 FGADRP CC(C)(C)OC(=O)[C@](C)(O)C[NH2+][C@@H]1CCN(C2CC2)[C@H](c2ccccc2)C1 ZINC000602613124 506232118 /nfs/dbraw/zinc/23/21/18/506232118.db2.gz SDNKNTNYICITEH-ZWCUEREDSA-N 2 0 374.525 3.037 20 0 FGADRP CC(C)(C)OC(=O)[C@](C)(O)C[NH2+][C@H]1CCN(C2CC2)[C@H](c2ccccc2)C1 ZINC000602612868 506232154 /nfs/dbraw/zinc/23/21/54/506232154.db2.gz SDNKNTNYICITEH-LQBOVUBWSA-N 2 0 374.525 3.037 20 0 FGADRP CC(C)[NH+](CCNC(=O)N1CCC(C[NH+]2CCCCCC2)CC1)C(C)C ZINC000611625863 506232639 /nfs/dbraw/zinc/23/26/39/506232639.db2.gz KYWBDULQTRDSAI-UHFFFAOYSA-N 2 0 366.594 3.403 20 0 FGADRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2cc(Cl)cc3cccnc32)CC1 ZINC000449745213 501074127 /nfs/dbraw/zinc/07/41/27/501074127.db2.gz LVXFHQYHUGEVSB-UHFFFAOYSA-N 2 0 360.933 3.394 20 0 FGADRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2csc(Br)c2)CC1 ZINC000449751592 501075376 /nfs/dbraw/zinc/07/53/76/501075376.db2.gz LGPKGKCVFHIUGY-UHFFFAOYSA-N 2 0 360.365 3.016 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N(C)CC1([NH+](C)C)CCC1)c1ccccc1 ZINC000446136625 501080089 /nfs/dbraw/zinc/08/00/89/501080089.db2.gz KCPHNEJYEFTACJ-LJQANCHMSA-N 2 0 360.546 3.195 20 0 FGADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N(C)CC2([NH+](C)C)CCC2)C1 ZINC000446136227 501080225 /nfs/dbraw/zinc/08/02/25/501080225.db2.gz FCOKAZLPXCGMCT-QGZVFWFLSA-N 2 0 352.567 3.013 20 0 FGADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+][C@@H]3CCO[C@@H](c4nccn4C)C3)CC2)C1 ZINC000449777817 501084161 /nfs/dbraw/zinc/08/41/61/501084161.db2.gz VPFUFXYIHBIGMK-RSPOEFSDSA-N 2 0 360.546 3.273 20 0 FGADRP Cc1ccc(C(=O)NCC2([NH+]3CCCCC3)CCN(C)CC2)c2c1CCC2 ZINC000449964244 501138720 /nfs/dbraw/zinc/13/87/20/501138720.db2.gz GUUZGSUXLQNRNY-UHFFFAOYSA-N 2 0 369.553 3.164 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc2ccccc2cc1O ZINC000436536773 501151013 /nfs/dbraw/zinc/15/10/13/501151013.db2.gz QFVCEFOXWAQSSG-LJQANCHMSA-N 2 0 369.509 3.034 20 0 FGADRP Cc1ccc([C@H](CCn2cncn2)[NH2+]CCC[NH+]2CCC(C)CC2)cc1 ZINC000446756476 501161547 /nfs/dbraw/zinc/16/15/47/501161547.db2.gz IYYPDSIYXMHRFM-NRFANRHFSA-N 2 0 355.530 3.430 20 0 FGADRP CC(C)[C@H](COCc1ccccc1)[NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000446936592 501183652 /nfs/dbraw/zinc/18/36/52/501183652.db2.gz NVWLHWXSNNOEFX-BHDDXSALSA-N 2 0 360.542 3.195 20 0 FGADRP COCCN1CCC([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)CC1 ZINC000453077057 501263933 /nfs/dbraw/zinc/26/39/33/501263933.db2.gz VYYQYZNLCGTBRO-YTFSRNRJSA-N 2 0 371.569 3.130 20 0 FGADRP C[NH+](C)C1(CNC(=O)N2CCC(C[NH+]3CCCCCC3)CC2)CCCC1 ZINC000611647554 506243003 /nfs/dbraw/zinc/24/30/03/506243003.db2.gz SRFQJZYTYVALDN-UHFFFAOYSA-N 2 0 364.578 3.158 20 0 FGADRP C[C@H](CN1CCCC1=O)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000453083721 501265037 /nfs/dbraw/zinc/26/50/37/501265037.db2.gz GHGYGSOKLWPCGD-CWJKEVGVSA-N 2 0 355.526 3.030 20 0 FGADRP CCC(CC)[C@H](CNC(=O)NC1CC[NH+](C2CCC2)CC1)[NH+]1CCCC1 ZINC000457621661 501270276 /nfs/dbraw/zinc/27/02/76/501270276.db2.gz QNUFAUJUVUCQIO-FQEVSTJZSA-N 2 0 364.578 3.203 20 0 FGADRP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(C[NH2+][C@@H](C3CC3)C3CCCC3)c2)C1 ZINC000453110747 501271705 /nfs/dbraw/zinc/27/17/05/501271705.db2.gz OIMCPZDARSPLHT-FGZHOGPDSA-N 2 0 369.553 3.442 20 0 FGADRP Cc1nccnc1CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000453234859 501295407 /nfs/dbraw/zinc/29/54/07/501295407.db2.gz XECXJBMXLVESJT-CEMLEFRQSA-N 2 0 350.510 3.360 20 0 FGADRP COC[C@](C)(O)CC[NH2+][C@@H]1CCCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000453250326 501299455 /nfs/dbraw/zinc/29/94/55/501299455.db2.gz HCZURQDIIOKPCM-DXBBTUNJSA-N 2 0 360.542 3.054 20 0 FGADRP C[NH+](C)CCN(Cc1ccsc1)C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000457775099 501306392 /nfs/dbraw/zinc/30/63/92/501306392.db2.gz MVQIPLMEDVKWDG-UHFFFAOYSA-N 2 0 374.554 3.083 20 0 FGADRP CO[C@@H]1COCC[C@@H]1C[NH2+][C@@H]1CCCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000453316728 501313775 /nfs/dbraw/zinc/31/37/75/501313775.db2.gz JXRDZWHOIQOYDD-GNJRFXKQSA-N 2 0 372.553 3.318 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCO[C@@H](c3ccccn3)C2)[C@@H](C)C1 ZINC000453385966 501323538 /nfs/dbraw/zinc/32/35/38/501323538.db2.gz VJXGRVDMPOKOMD-YOUFYPILSA-N 2 0 361.530 3.028 20 0 FGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+][C@@H]2CCO[C@@H](c3ccccn3)C2)[C@H](C)C1 ZINC000453385959 501323882 /nfs/dbraw/zinc/32/38/82/501323882.db2.gz VJXGRVDMPOKOMD-ANTGDGSKSA-N 2 0 361.530 3.028 20 0 FGADRP Cc1cc(Br)cn2c(C[NH2+]CCCC[N@@H+](C)C3CC3)cnc12 ZINC000453599439 501358118 /nfs/dbraw/zinc/35/81/18/501358118.db2.gz REWJIICCFRVUAU-UHFFFAOYSA-N 2 0 365.319 3.369 20 0 FGADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CC[C@@](C)(C(=O)OC(C)(C)C)C1 ZINC000453621034 501364264 /nfs/dbraw/zinc/36/42/64/501364264.db2.gz LPFNJKGZVLAPCW-HXUWFJFHSA-N 2 0 356.470 3.129 20 0 FGADRP C(CC[NH+]1CCC[C@@]2(CCOC2)C1)CC[N@@H+]1CCC[C@@]2(CCOC2)C1 ZINC000451898196 501396030 /nfs/dbraw/zinc/39/60/30/501396030.db2.gz IWGJZXXOSXKIKZ-NHCUHLMSSA-N 2 0 350.547 3.162 20 0 FGADRP CCc1ccc([C@H](CNC(=O)N(CC[NH+](C)C)CC(C)C)[NH+](C)C)cc1 ZINC000611671304 506250904 /nfs/dbraw/zinc/25/09/04/506250904.db2.gz UWGLMAYPNHDYHO-FQEVSTJZSA-N 2 0 362.562 3.081 20 0 FGADRP CC[NH+]1CCN(CC(C)(C)[NH2+]CCOc2ccccc2C(F)(F)F)CC1 ZINC000451975919 501412001 /nfs/dbraw/zinc/41/20/01/501412001.db2.gz AMVBNTSSLJWJTM-UHFFFAOYSA-N 2 0 373.463 3.090 20 0 FGADRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2cccc(Br)c2C)CC1 ZINC000451997779 501416109 /nfs/dbraw/zinc/41/61/09/501416109.db2.gz ZVZIFUVYDDFQDV-UHFFFAOYSA-N 2 0 368.363 3.263 20 0 FGADRP C[N@@H+]1CCC[C@H]1CC[NH2+][C@@H]1CN(CC(F)(F)F)C[C@H]1c1ccccc1 ZINC000452025218 501421101 /nfs/dbraw/zinc/42/11/01/501421101.db2.gz QRNOLDBKCAKFTL-OKZBNKHCSA-N 2 0 355.448 3.091 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc2cnccc2c1 ZINC000455982404 501431684 /nfs/dbraw/zinc/43/16/84/501431684.db2.gz LOOQSEOHEVTPLO-HXUWFJFHSA-N 2 0 369.513 3.115 20 0 FGADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N(CC[NH+](C)C)Cc1ccsc1 ZINC000458449826 501446528 /nfs/dbraw/zinc/44/65/28/501446528.db2.gz YVVUVBOEWPWSAP-GOSISDBHSA-N 2 0 366.575 3.086 20 0 FGADRP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)N[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C)C1 ZINC000458519180 501464573 /nfs/dbraw/zinc/46/45/73/501464573.db2.gz WCDFCTBHJUHCAR-GIVPXCGWSA-N 2 0 372.557 3.021 20 0 FGADRP Cn1ccnc1[C@H]1N(C(=O)NCCC[N@H+](C)C2CCCCC2)CC1(C)C ZINC000454204770 501481887 /nfs/dbraw/zinc/48/18/87/501481887.db2.gz FBQRZWORPPICHO-QGZVFWFLSA-N 2 0 361.534 3.167 20 0 FGADRP CC[NH+](CC)Cc1ccccc1CNC(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000454208454 501482357 /nfs/dbraw/zinc/48/23/57/501482357.db2.gz ILANRMQIBWWHTP-UHFFFAOYSA-N 2 0 372.557 3.345 20 0 FGADRP C[C@H](NC(=O)NC(C)(C)C[NH+]1CCCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000458663788 501501960 /nfs/dbraw/zinc/50/19/60/501501960.db2.gz FUAYYMBDBIBAKB-AZUAARDMSA-N 2 0 372.557 3.071 20 0 FGADRP CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000454362722 501523549 /nfs/dbraw/zinc/52/35/49/501523549.db2.gz XKHDZHWHXHYEOU-SFHVURJKSA-N 2 0 352.567 3.059 20 0 FGADRP CC(C)[NH2+]C1CCN(C(=O)NCC2([N@H+](C)Cc3ccccc3)CCC2)CC1 ZINC000458984355 501571433 /nfs/dbraw/zinc/57/14/33/501571433.db2.gz WUOACKAMEIYGFG-UHFFFAOYSA-N 2 0 372.557 3.213 20 0 FGADRP C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)N2C[C@@H]3CC[NH+](C)[C@@H]3C2)c1 ZINC000452982142 501595969 /nfs/dbraw/zinc/59/59/69/501595969.db2.gz XNKKUVKHYZRTPG-FCHUYYIVSA-N 2 0 363.505 3.095 20 0 FGADRP O=C1C[C@H]([NH2+]C2CCN(c3cc[nH+]cc3)CC2)CN1c1ccccc1Cl ZINC000459412378 501649360 /nfs/dbraw/zinc/64/93/60/501649360.db2.gz KJVXXNKAGMJRPW-INIZCTEOSA-N 2 0 370.884 3.099 20 0 FGADRP CC[NH+](CC)CCCNC(=O)C1CC[NH+](C[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000459554495 501675651 /nfs/dbraw/zinc/67/56/51/501675651.db2.gz DBBGLPVEBBEBKE-VXKWHMMOSA-N 2 0 371.569 3.350 20 0 FGADRP COc1cc(C[NH2+]CC[C@@H]2CCC[N@H+](C)C2)ccc1OCC(F)(F)F ZINC000459721094 501703768 /nfs/dbraw/zinc/70/37/68/501703768.db2.gz AONADJLDHFITPS-AWEZNQCLSA-N 2 0 360.420 3.458 20 0 FGADRP C[C@@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000459724397 501704158 /nfs/dbraw/zinc/70/41/58/501704158.db2.gz ASZWJLTVCDLRCV-DLBZAZTESA-N 2 0 365.949 3.399 20 0 FGADRP C[N@@H+]1CCC[C@@H](CC[NH2+]Cc2cn(-c3ccc(Cl)c(Cl)c3)nn2)C1 ZINC000459730580 501705932 /nfs/dbraw/zinc/70/59/32/501705932.db2.gz DVUOMGUGQVDZMS-ZDUSSCGKSA-N 2 0 368.312 3.396 20 0 FGADRP C[C@@H]([NH2+]C1(C2CCC2)CCC1)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000459772494 501711971 /nfs/dbraw/zinc/71/19/71/501711971.db2.gz OHUUUXKBAIYPIX-XLIONFOSSA-N 2 0 355.526 3.078 20 0 FGADRP CC[NH+](CC)Cc1ccccc1CNC(=O)N1CC[N@@H+](C2CC2)C[C@H](C)C1 ZINC000457518252 501715277 /nfs/dbraw/zinc/71/52/77/501715277.db2.gz DJZZYQBYUSNOAJ-SFHVURJKSA-N 2 0 372.557 3.154 20 0 FGADRP C[NH+](C)CCCC(C)(C)NC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000457522689 501716103 /nfs/dbraw/zinc/71/61/03/501716103.db2.gz WVLYTBQBRDTEHO-UHFFFAOYSA-N 2 0 360.546 3.202 20 0 FGADRP CC[NH+](CC)Cc1ccc(CNC(=O)N(C)[C@H]2CC[N@@H+](C(C)C)C2)cc1 ZINC000457536327 501718477 /nfs/dbraw/zinc/71/84/77/501718477.db2.gz VIAYPAJCHXIQLB-FQEVSTJZSA-N 2 0 360.546 3.153 20 0 FGADRP CC[NH+]1CCN(c2ccc(NC(=O)CC3(C[NH3+])CCCCC3)c(C)c2)CC1 ZINC000463488410 501739238 /nfs/dbraw/zinc/73/92/38/501739238.db2.gz CXFMWFAKFVYORE-UHFFFAOYSA-N 2 0 372.557 3.375 20 0 FGADRP CCCC[N@H+](C)C[C@H](C)NC(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000460150975 501742349 /nfs/dbraw/zinc/74/23/49/501742349.db2.gz UEUVRKRAJSUPJD-KRWDZBQOSA-N 2 0 352.567 3.061 20 0 FGADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000467342070 501773353 /nfs/dbraw/zinc/77/33/53/501773353.db2.gz HZBSEXUNVATHBP-HZPDHXFCSA-N 2 0 357.464 3.252 20 0 FGADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000467342068 501773820 /nfs/dbraw/zinc/77/38/20/501773820.db2.gz HZBSEXUNVATHBP-CVEARBPZSA-N 2 0 357.464 3.252 20 0 FGADRP O=C(Nc1ccc(CC[NH+]2CCCC2)cc1)c1ccc2c(c1)CC[NH2+]CC2 ZINC000474302556 501782200 /nfs/dbraw/zinc/78/22/00/501782200.db2.gz HYIZCPHCKWZZEV-UHFFFAOYSA-N 2 0 363.505 3.265 20 0 FGADRP Cc1cc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)ccc1I ZINC000467388541 501782619 /nfs/dbraw/zinc/78/26/19/501782619.db2.gz LWVXYWJAVGJSNH-GXTWGEPZSA-N 2 0 358.267 3.172 20 0 FGADRP CC[NH+](CC)CCCNC(=O)N(C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000470741377 501788273 /nfs/dbraw/zinc/78/82/73/501788273.db2.gz WLHKZHAWMFKPSW-FQEVSTJZSA-N 2 0 360.546 3.024 20 0 FGADRP CC(C)[NH+](CCNC(=O)N(C)[C@H]1CCC[N@H+](Cc2ccccc2)C1)C(C)C ZINC000470752964 501791317 /nfs/dbraw/zinc/79/13/17/501791317.db2.gz CLADIQDKBFFPNA-NRFANRHFSA-N 2 0 374.573 3.411 20 0 FGADRP C[C@@H]([NH2+][C@@H]1CC(=O)N(c2ccccc2)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000477854475 501810800 /nfs/dbraw/zinc/81/08/00/501810800.db2.gz BKUHBGXNHFYBKU-IEBWSBKVSA-N 2 0 367.493 3.083 20 0 FGADRP CCS[C@@H]1CCCC[N@H+](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000460385785 501811162 /nfs/dbraw/zinc/81/11/62/501811162.db2.gz GCWSVTBCFSEHOF-MOPGFXCFSA-N 2 0 363.571 3.013 20 0 FGADRP C[C@@H]1CN(CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)[C@@H]1c1ccccc1 ZINC000460400617 501814727 /nfs/dbraw/zinc/81/47/27/501814727.db2.gz LIZFGNZKULEANY-AGHHOFFYSA-N 2 0 351.494 3.099 20 0 FGADRP Cc1ccc([C@H](CCn2cncn2)[NH2+]CC(C)(C)C[NH+]2CCCC2)cc1 ZINC000477927254 501831220 /nfs/dbraw/zinc/83/12/20/501831220.db2.gz AEOLOMANOUYZOZ-FQEVSTJZSA-N 2 0 355.530 3.430 20 0 FGADRP C[NH+](C)CC[C@@H](NC(=O)N1CC[NH+](C2CCCCC2)CC1)C(C)(C)C ZINC000485484011 501834381 /nfs/dbraw/zinc/83/43/81/501834381.db2.gz ZJLTVSFPNAHASK-GOSISDBHSA-N 2 0 352.567 3.013 20 0 FGADRP C[C@@H]1C[C@@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C[N@@H+]1Cc1ccccc1 ZINC000467700772 501848106 /nfs/dbraw/zinc/84/81/06/501848106.db2.gz NRGREKKMLXDYJP-HLAWJBBLSA-N 2 0 369.553 3.420 20 0 FGADRP C[C@@H]1C[C@@H](C)C[NH+](CCC[NH2+]Cc2ccc(Cl)cc2-n2cncn2)C1 ZINC000474478389 501850035 /nfs/dbraw/zinc/85/00/35/501850035.db2.gz PCDJPFQXJANKJK-HZPDHXFCSA-N 2 0 361.921 3.378 20 0 FGADRP Cc1cccc(N2CC[NH+](CCCC[NH2+]Cc3ccnn3C(C)C)CC2)c1 ZINC000474497947 501856815 /nfs/dbraw/zinc/85/68/15/501856815.db2.gz ZLXZAXVPFKFECG-UHFFFAOYSA-N 2 0 369.557 3.464 20 0 FGADRP C[C@@H](C[NH+](C)C)NC(=O)NCc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000478200862 501908217 /nfs/dbraw/zinc/90/82/17/501908217.db2.gz UISUOAJTNISONG-KRWDZBQOSA-N 2 0 368.525 3.165 20 0 FGADRP COC(=O)C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)[C@H]1C ZINC000474716611 501932062 /nfs/dbraw/zinc/93/20/62/501932062.db2.gz VMJUMAICUMROFJ-HFSMHLIXSA-N 2 0 374.525 3.229 20 0 FGADRP C[C@H](NC(=O)[C@H]1CCC[N@@H+]1Cc1ccccc1)[C@@H](c1ccccc1)[NH+](C)C ZINC000471140668 501932204 /nfs/dbraw/zinc/93/22/04/501932204.db2.gz CIBYANYPQQISLJ-BWAGFHJFSA-N 2 0 365.521 3.459 20 0 FGADRP C[NH+](C)CCN(C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)C1CCCC1 ZINC000468024234 501933270 /nfs/dbraw/zinc/93/32/70/501933270.db2.gz JJDQRDMUJWGLFE-HXUWFJFHSA-N 2 0 372.557 3.167 20 0 FGADRP COc1ccc(-c2ccncc2)cc1C[NH+]1CCC(OCC[NH+](C)C)CC1 ZINC000482012184 501947228 /nfs/dbraw/zinc/94/72/28/501947228.db2.gz UGBNRSPWQSXHLT-UHFFFAOYSA-N 2 0 369.509 3.300 20 0 FGADRP COc1ccc([C@@H](C)[C@@H](C)[NH2+]CC2(O)CC[NH+](C(C)C)CC2)cc1OC ZINC000474792854 501953515 /nfs/dbraw/zinc/95/35/15/501953515.db2.gz BTFZASKDXHIZQQ-DLBZAZTESA-N 2 0 364.530 3.021 20 0 FGADRP CC[NH+](CC)Cc1cccc(CNC(=O)NCC(C)(C)C[NH+]2CCCC2)c1 ZINC000478401073 501968169 /nfs/dbraw/zinc/96/81/69/501968169.db2.gz CKZGIKJCSZWAIL-UHFFFAOYSA-N 2 0 374.573 3.450 20 0 FGADRP c1ccc(C[C@H]([NH2+]CCCN2CCN(c3cc[nH+]cc3)CC2)C2CC2)cc1 ZINC000482107216 501977551 /nfs/dbraw/zinc/97/75/51/501977551.db2.gz DGEUYUGPNVUOAQ-QHCPKHFHSA-N 2 0 364.537 3.205 20 0 FGADRP CC[NH+]1CCC(NC(=O)C[N@@H+]2C[C@H](c3ccccc3)[C@@H]3CCCC[C@H]32)CC1 ZINC000485910713 501984871 /nfs/dbraw/zinc/98/48/71/501984871.db2.gz XRQWYCGKNDKLIK-BHDDXSALSA-N 2 0 369.553 3.245 20 0 FGADRP CC(C)[NH+]1CCC(N2CC[NH+](CCCc3ccc4c(c3)CCO4)CC2)CC1 ZINC000482166541 501995938 /nfs/dbraw/zinc/99/59/38/501995938.db2.gz CIALQVJPUUKVMU-UHFFFAOYSA-N 2 0 371.569 3.045 20 0 FGADRP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475098626 502057272 /nfs/dbraw/zinc/05/72/72/502057272.db2.gz TZPNJRXJOSOZKB-SBHAEUEKSA-N 2 0 372.557 3.165 20 0 FGADRP CN(C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475100681 502058946 /nfs/dbraw/zinc/05/89/46/502058946.db2.gz KACXEBGRGSCLHO-VQTJNVASSA-N 2 0 374.573 3.269 20 0 FGADRP C[C@@H](CNC(=O)NC1CC[NH+](C2CCCCC2)CC1)[N@@H+]1CCCC[C@@H]1C ZINC000475112912 502064081 /nfs/dbraw/zinc/06/40/81/502064081.db2.gz UMSUEHHVDHZTML-ROUUACIJSA-N 2 0 364.578 3.346 20 0 FGADRP COc1ccc2oc([C@@H](C)[NH2+]C[C@@H](C)CN3CC[NH+](C)CC3)c(C)c2c1 ZINC000482436886 502067051 /nfs/dbraw/zinc/06/70/51/502067051.db2.gz JUJLMRLAJRVERK-NVXWUHKLSA-N 2 0 359.514 3.284 20 0 FGADRP CC[C@@H]([NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1)c1ccccc1 ZINC000482453210 502072376 /nfs/dbraw/zinc/07/23/76/502072376.db2.gz MRUTZUQUGBETBN-HXUWFJFHSA-N 2 0 353.514 3.120 20 0 FGADRP C[NH+](C)[C@@H](CNC(=O)C[NH2+][C@@]1(C)CCCc2ccccc21)c1ccccc1 ZINC000475145160 502079914 /nfs/dbraw/zinc/07/99/14/502079914.db2.gz OXCBGMNORLUAJT-GMAHTHKFSA-N 2 0 365.521 3.247 20 0 FGADRP CCN(C(=O)NCC[NH+](C)C1CCCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475155551 502084318 /nfs/dbraw/zinc/08/43/18/502084318.db2.gz KVHFZMGCRUPFGU-NRFANRHFSA-N 2 0 372.557 3.167 20 0 FGADRP CCN(C(=O)NCC[NH+]1CCC[C@@H](C)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475169122 502088811 /nfs/dbraw/zinc/08/88/11/502088811.db2.gz JPLFAYIQHIDAPU-TZIWHRDSSA-N 2 0 372.557 3.024 20 0 FGADRP Cc1cc(NC(=O)CC2CC[NH+](C)CC2)ccc1OCC[NH+]1CCCC1 ZINC000486380089 502138053 /nfs/dbraw/zinc/13/80/53/502138053.db2.gz OHIXBBYYBCHQFD-UHFFFAOYSA-N 2 0 359.514 3.140 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)[C@H](C[NH3+])c1ccc(F)cc1)c1ccccc1 ZINC000479049549 502147004 /nfs/dbraw/zinc/14/70/04/502147004.db2.gz GWRFKBBQBYOQJH-UXHICEINSA-N 2 0 357.473 3.067 20 0 FGADRP CCC[NH+]1CCN(c2ccccc2C[N@@H+]2CCCC[C@H](COC)C2)CC1 ZINC000468695609 502150517 /nfs/dbraw/zinc/15/05/17/502150517.db2.gz GQJPWPKHHZWTIA-FQEVSTJZSA-N 2 0 359.558 3.467 20 0 FGADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)N[C@@H]2CC[NH+]([C@@H](C)c3ccccc3)C2)C1 ZINC000464955438 502156037 /nfs/dbraw/zinc/15/60/37/502156037.db2.gz UNLPVGYBLCGONA-QKNQBKEWSA-N 2 0 372.557 3.099 20 0 FGADRP [NH3+]C[C@H](C(=O)Nc1cccc(C[NH+]2CCCCC2)c1)c1ccc(F)cc1 ZINC000479192828 502189699 /nfs/dbraw/zinc/18/96/99/502189699.db2.gz JYFPLNRXUWKDOA-FQEVSTJZSA-N 2 0 355.457 3.493 20 0 FGADRP [NH3+]C[C@H](C(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1)c1ccc(F)cc1 ZINC000479227241 502198802 /nfs/dbraw/zinc/19/88/02/502198802.db2.gz SZALSALCEHLMRZ-RTWAWAEBSA-N 2 0 369.484 3.039 20 0 FGADRP COc1c[nH+]ccc1N1CC[NH+](Cc2cccc(-c3cccnc3)c2)CC1 ZINC000475624902 502233497 /nfs/dbraw/zinc/23/34/97/502233497.db2.gz KTYDMTBEFYYWSA-UHFFFAOYSA-N 2 0 360.461 3.474 20 0 FGADRP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)NC(C)(C)CC[NH+]2CCCCCC2)C1 ZINC000483000172 502240509 /nfs/dbraw/zinc/24/05/09/502240509.db2.gz UHKNDYMXRHAXTC-IBGZPJMESA-N 2 0 366.594 3.451 20 0 FGADRP CC(C)OCC[C@H](O)C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000472150682 502249381 /nfs/dbraw/zinc/24/93/81/502249381.db2.gz FEHBUZOGQPTRJF-FDFHNCONSA-N 2 0 360.542 3.149 20 0 FGADRP CC[C@H]1C[N@H+](CC(=O)NC2CC[NH+](CC)CC2)CC[C@@H]1c1ccccc1 ZINC000472236800 502280620 /nfs/dbraw/zinc/28/06/20/502280620.db2.gz CBQSQZADOYCYNR-RXVVDRJESA-N 2 0 357.542 3.103 20 0 FGADRP CC[C@H]1C[N@H+](CC(=O)NC2CC[NH+](CC)CC2)CC[C@H]1c1ccccc1 ZINC000472236798 502280922 /nfs/dbraw/zinc/28/09/22/502280922.db2.gz CBQSQZADOYCYNR-GHTZIAJQSA-N 2 0 357.542 3.103 20 0 FGADRP C[C@H]1CCC[N@H+](CCNC(=O)N2CC[C@H](C)[NH+](Cc3ccccc3)CC2)C1 ZINC000465534701 502294798 /nfs/dbraw/zinc/29/47/98/502294798.db2.gz SOHKJXFVQWXWBE-PMACEKPBSA-N 2 0 372.557 3.024 20 0 FGADRP C[C@@H]1C[NH+](Cc2ccccc2C[NH2+]C/C=C\c2ccncc2)C[C@@H](C)O1 ZINC000486960154 502316540 /nfs/dbraw/zinc/31/65/40/502316540.db2.gz AYFWFTJJHQCDGA-CQQBRXBZSA-N 2 0 351.494 3.494 20 0 FGADRP C[C@@H]1C[NH+](Cc2ccccc2C[NH2+]C/C=C/c2ccncc2)C[C@@H](C)O1 ZINC000486960153 502316789 /nfs/dbraw/zinc/31/67/89/502316789.db2.gz AYFWFTJJHQCDGA-ASIGSXEYSA-N 2 0 351.494 3.494 20 0 FGADRP CC(C)C1CCC(NC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)CC1 ZINC000479609295 502317240 /nfs/dbraw/zinc/31/72/40/502317240.db2.gz GNYDMCIBUANVFA-UHFFFAOYSA-N 2 0 354.583 3.116 20 0 FGADRP C[C@H]1CCC[N@H+](CCCCNC(=O)N[C@H]2CC[NH+](CC3CCCC3)C2)C1 ZINC000465606866 502323418 /nfs/dbraw/zinc/32/34/18/502323418.db2.gz QYGFYXXGFJEZIO-ICSRJNTNSA-N 2 0 364.578 3.062 20 0 FGADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@H](C)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000487006374 502329200 /nfs/dbraw/zinc/32/92/00/502329200.db2.gz NFRMUWDOEQPCRT-HLAWJBBLSA-N 2 0 372.557 3.071 20 0 FGADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)NCCCN(CC)c2ccccc2)C1 ZINC000465626628 502330308 /nfs/dbraw/zinc/33/03/08/502330308.db2.gz JAKOHJIIIQUSNU-LJQANCHMSA-N 2 0 360.546 3.276 20 0 FGADRP CC(C)[N@@H+]1[C@@H]2CC[C@H]1CN(C(=O)N[C@H](C)C[NH+]1C[C@H](C)C[C@@H](C)C1)CC2 ZINC000465743218 502366957 /nfs/dbraw/zinc/36/69/57/502366957.db2.gz PMCYLVWTIVQEAW-WAPOTWQKSA-N 2 0 364.578 3.010 20 0 FGADRP Cc1ccc(CNC(=O)C2CC[NH+](CC[C@H]3CCCC[N@H+]3C)CC2)cc1 ZINC000472577002 502389352 /nfs/dbraw/zinc/38/93/52/502389352.db2.gz AYCBOBHFOQBMTG-OAQYLSRUSA-N 2 0 357.542 3.198 20 0 FGADRP CCc1ccc([C@H](CNC(=O)N(C)[C@@H]2CC[N@@H+](CC)[C@@H](C)C2)[NH+](C)C)cc1 ZINC000483513097 502416802 /nfs/dbraw/zinc/41/68/02/502416802.db2.gz BGNYTCRBNQEHQL-WMQCIHAUSA-N 2 0 374.573 3.366 20 0 FGADRP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CC[C@H]([NH+](CC)CC)C2)C1 ZINC000465906563 502423357 /nfs/dbraw/zinc/42/33/57/502423357.db2.gz YIPTUHOAGNBSNE-ROUUACIJSA-N 2 0 352.567 3.013 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CNC(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000465928077 502430409 /nfs/dbraw/zinc/43/04/09/502430409.db2.gz QWLVAEJMWKDDDY-NRFANRHFSA-N 2 0 372.557 3.346 20 0 FGADRP COc1cc[nH+]c(N2CCN(c3cc[nH+]c4cc(F)c(OC)cc43)CC2)c1 ZINC000479960548 502431307 /nfs/dbraw/zinc/43/13/07/502431307.db2.gz HSZXUWBZUNPOGQ-UHFFFAOYSA-N 2 0 368.412 3.113 20 0 FGADRP CCC[N@H+](CC)Cc1ccc(C(=O)N2CC[C@H]3[C@H](CCC[NH+]3C)C2)cc1 ZINC000483566136 502432599 /nfs/dbraw/zinc/43/25/99/502432599.db2.gz VZVKQPINYFHAIW-RTWAWAEBSA-N 2 0 357.542 3.475 20 0 FGADRP CC(C)[C@H]1CN(C(=O)NC2CCC([NH+]3CCC(C)CC3)CC2)CC[N@@H+]1C ZINC000487418111 502438943 /nfs/dbraw/zinc/43/89/43/502438943.db2.gz WXIJIRIKVSSFKP-SOAGJPPSSA-N 2 0 364.578 3.011 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)[C@@H]2CCN2Cc2ccccc2)C1 ZINC000469523063 502450440 /nfs/dbraw/zinc/45/04/40/502450440.db2.gz CNDXDKNIOKNUEF-HJNYFJLDSA-N 2 0 369.553 3.374 20 0 FGADRP CCc1nc(C)c([C@H](C)[NH2+]CCN2CC[NH+](Cc3ccccc3)CC2)s1 ZINC000480035994 502453926 /nfs/dbraw/zinc/45/39/26/502453926.db2.gz GQZXKVGDWZOZBA-KRWDZBQOSA-N 2 0 372.582 3.482 20 0 FGADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)NCc2ccccc2C[NH+]2CCCC2)C[C@@H]1C ZINC000483682951 502461831 /nfs/dbraw/zinc/46/18/31/502461831.db2.gz LDBCEFXRVZMFJB-GHTZIAJQSA-N 2 0 372.557 3.297 20 0 FGADRP CC[N@H+](Cc1ccc(C(=O)NCCNc2cccc(C)n2)cc1)C1CC1 ZINC000469575750 502468308 /nfs/dbraw/zinc/46/83/08/502468308.db2.gz BCSCMNAIRGETDQ-UHFFFAOYSA-N 2 0 352.482 3.216 20 0 FGADRP COc1cc2c(cc1F)[nH+]ccc2N1C[C@H](SC)[C@@H]([NH+]2CCCC2)C1 ZINC000480172266 502490579 /nfs/dbraw/zinc/49/05/79/502490579.db2.gz SGNDRVFRPSOYHE-HKUYNNGSSA-N 2 0 361.486 3.399 20 0 FGADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCCC[NH+]2CCCCC2)C1 ZINC000476456407 502494171 /nfs/dbraw/zinc/49/41/71/502494171.db2.gz DCWOPRMOOYTESA-GOSISDBHSA-N 2 0 352.567 3.062 20 0 FGADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)N(C)[C@@H]1CC[NH+](CC)[C@H](C)C1 ZINC000483795824 502495425 /nfs/dbraw/zinc/49/54/25/502495425.db2.gz BMKWXYQISHFTDE-GUDVDZBRSA-N 2 0 352.567 3.155 20 0 FGADRP Cc1cc(N2CC[N@@H+](C[C@H](C)O)C[C@H]2C)c2cc(OC(F)F)ccc2[nH+]1 ZINC000480191338 502496970 /nfs/dbraw/zinc/49/69/70/502496970.db2.gz OHFPYUPCYSNKRQ-KGLIPLIRSA-N 2 0 365.424 3.036 20 0 FGADRP CCC(CC)[C@H](CNC(=O)NC[C@H]1CCCC[N@@H+]1CC)[NH+]1CCCC1 ZINC000476481362 502501005 /nfs/dbraw/zinc/50/10/05/502501005.db2.gz BODOURAOCDYODV-MOPGFXCFSA-N 2 0 352.567 3.061 20 0 FGADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1ccc(-c2cccc(F)c2F)o1 ZINC000480258429 502516222 /nfs/dbraw/zinc/51/62/22/502516222.db2.gz DIBHOBCKCHJCQY-OAHLLOKOSA-N 2 0 363.452 3.340 20 0 FGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000469753389 502533021 /nfs/dbraw/zinc/53/30/21/502533021.db2.gz SNYFCEOLCJUSKG-IAGOWNOFSA-N 2 0 371.447 3.299 20 0 FGADRP C[NH+]1CCC(C[NH2+][C@@H]2CCC[C@@H]([C@@H]3CCOC3)C2)(N2CCCCC2)CC1 ZINC000466342457 502541709 /nfs/dbraw/zinc/54/17/09/502541709.db2.gz DNPBELQURVFIOX-NJDAHSKKSA-N 2 0 363.590 3.122 20 0 FGADRP C[C@H](C[NH2+]Cc1ccc(-c2cccc(F)c2F)o1)CN1CC[NH+](C)CC1 ZINC000480340191 502542015 /nfs/dbraw/zinc/54/20/15/502542015.db2.gz GIBVJFCCORVWKC-OAHLLOKOSA-N 2 0 363.452 3.198 20 0 FGADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NC1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC000473277997 502556539 /nfs/dbraw/zinc/55/65/39/502556539.db2.gz CWGXCKUSMVCSPN-MKXGPGLRSA-N 2 0 357.542 3.132 20 0 FGADRP C[C@@H]1C[C@@H](NC(=O)NCCC[NH+]2CCCC[C@H]2C)C[N@@H+]1Cc1ccccc1 ZINC000466396949 502557886 /nfs/dbraw/zinc/55/78/86/502557886.db2.gz SAOHAPCSBRCNIO-SFHLNBCPSA-N 2 0 372.557 3.213 20 0 FGADRP O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1CCC[NH+]1C1CCCC1 ZINC000473290381 502560357 /nfs/dbraw/zinc/56/03/57/502560357.db2.gz GQIGZFYWVLDYKK-PZJWPPBQSA-N 2 0 355.526 3.032 20 0 FGADRP Cc1nn(-c2ccc(Br)cc2)cc1C[NH+]1CCC(C[NH3+])CC1 ZINC000469832005 502561195 /nfs/dbraw/zinc/56/11/95/502561195.db2.gz UMXXRXRTVHANJQ-UHFFFAOYSA-N 2 0 363.303 3.114 20 0 FGADRP O=C(C1CC[NH+](Cc2ccccc2)CC1)N1CC[NH+](C2CCCCC2)CC1 ZINC000484096984 502568547 /nfs/dbraw/zinc/56/85/47/502568547.db2.gz KGDZWSPGNZYSAN-UHFFFAOYSA-N 2 0 369.553 3.376 20 0 FGADRP C[C@@H]([NH2+]CC1(O)CC[NH+](C)CC1)[C@@H](C)Oc1ccc(Cl)cc1Cl ZINC000484134134 502579131 /nfs/dbraw/zinc/57/91/31/502579131.db2.gz JUFDAPLKRHKSLA-CHWSQXEVSA-N 2 0 361.313 3.196 20 0 FGADRP CC[NH+]1CCN(c2ccccc2C[NH2+]C[C@]2(C)CCO[C@@H]2C2CC2)CC1 ZINC000466475418 502581062 /nfs/dbraw/zinc/58/10/62/502581062.db2.gz SYRASJGXHHGEBQ-YADHBBJMSA-N 2 0 357.542 3.123 20 0 FGADRP C[C@H]1C[C@H](NC(=O)NCCC[NH2+]C2CCCCC2)C[N@@H+]1Cc1ccccc1 ZINC000466517910 502594901 /nfs/dbraw/zinc/59/49/01/502594901.db2.gz KUPPLPOYCVNPCD-RXVVDRJESA-N 2 0 372.557 3.261 20 0 FGADRP C[C@@H](C(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1)[NH+]1CCCCCC1 ZINC000469920650 502597425 /nfs/dbraw/zinc/59/74/25/502597425.db2.gz UICLNLDDDSFDCS-HNNXBMFYSA-N 2 0 367.921 3.483 20 0 FGADRP CCOc1cc2[nH+]ccc(N[C@@H]3CC[N@@H+]4CCC[C@H]4C3)c2cc1OCC ZINC000488173135 502646476 /nfs/dbraw/zinc/64/64/76/502646476.db2.gz BTNLNPRLRZNCLH-CVEARBPZSA-N 2 0 355.482 3.493 20 0 FGADRP CCC[N@H+](CC)C[C@H](C)NC(=O)N1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000463061812 502679843 /nfs/dbraw/zinc/67/98/43/502679843.db2.gz LHSKAEJWJPAAMV-XUVXKRRUSA-N 2 0 366.594 3.403 20 0 FGADRP O=C(C[NH2+][C@H]1CCCC[C@@H]1c1ccccc1)NC1CC[NH+](C2CC2)CC1 ZINC000484609926 502681934 /nfs/dbraw/zinc/68/19/34/502681934.db2.gz BCTWYQJVMSPZGC-RTWAWAEBSA-N 2 0 355.526 3.045 20 0 FGADRP C[C@H]1C[C@H]([NH2+]Cc2ccc(OCCO)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000463115217 502699161 /nfs/dbraw/zinc/69/91/61/502699161.db2.gz XEINZEXEAUJLCV-GHTZIAJQSA-N 2 0 354.494 3.200 20 0 FGADRP C[NH+]1CCN(Cc2ccc(C[NH2+][C@@H]3CCc4c3cccc4F)cc2)CC1 ZINC000480915200 502704177 /nfs/dbraw/zinc/70/41/77/502704177.db2.gz WTFVELHMOXVXQO-JOCHJYFZSA-N 2 0 353.485 3.350 20 0 FGADRP CC[NH+](CC)[C@H](C(=O)N1CC[C@H]([C@H](C)[NH3+])C1)c1cccc(C(F)(F)F)c1 ZINC000484688987 502708142 /nfs/dbraw/zinc/70/81/42/502708142.db2.gz KWQMQOUGTDADPT-QRTARXTBSA-N 2 0 371.447 3.284 20 0 FGADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000477217019 502709196 /nfs/dbraw/zinc/70/91/96/502709196.db2.gz CFGZJGYJOHDSJG-WOJBJXKFSA-N 2 0 364.578 3.014 20 0 FGADRP C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)NCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000484693543 502710264 /nfs/dbraw/zinc/71/02/64/502710264.db2.gz GNTYMIOKMFIJRZ-FCGDIQPGSA-N 2 0 364.578 3.011 20 0 FGADRP C[C@H](CNC(=O)N[C@@H](C)[C@H](c1ccccc1)[NH+](C)C)[NH+]1CCC(C)CC1 ZINC000488444869 502716811 /nfs/dbraw/zinc/71/68/11/502716811.db2.gz XEGOLSZLTQNSKC-WSTZPKSXSA-N 2 0 360.546 3.097 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@H](C)N2CCc3ccccc3C2)[C@@H](C)C1 ZINC000481104931 502754974 /nfs/dbraw/zinc/75/49/74/502754974.db2.gz JRFQNUKSULSZOH-JTAQYXEDSA-N 2 0 373.585 3.160 20 0 FGADRP CCN(C(=O)NC[C@H](C)[NH+](C)C1CC1)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000473957589 502761702 /nfs/dbraw/zinc/76/17/02/502761702.db2.gz HOHHGFXCXFXHQB-BBTUJRGHSA-N 2 0 372.557 3.336 20 0 FGADRP C[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)C1CCC(F)(F)CC1 ZINC000474030410 502784966 /nfs/dbraw/zinc/78/49/66/502784966.db2.gz MUHGPWOPVYXOEK-OAHLLOKOSA-N 2 0 352.473 3.137 20 0 FGADRP CC(C)[NH+](CCCNC(=O)NCC1([NH+](C)C)CCCCCC1)C(C)C ZINC000470463723 502785036 /nfs/dbraw/zinc/78/50/36/502785036.db2.gz CTWCXBGLCIUJIP-UHFFFAOYSA-N 2 0 354.583 3.449 20 0 FGADRP CC(C)[NH+](CCCNC(=O)N[C@@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1)C(C)C ZINC000470485322 502791896 /nfs/dbraw/zinc/79/18/96/502791896.db2.gz YETVCQBGBLHFRW-OTWHNJEPSA-N 2 0 354.583 3.161 20 0 FGADRP C[C@@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)C1CCC(F)(F)CC1 ZINC000474055517 502792603 /nfs/dbraw/zinc/79/26/03/502792603.db2.gz KAIPOMQWVPSRBG-OAHLLOKOSA-N 2 0 352.473 3.137 20 0 FGADRP Clc1ccc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)c(-n2cncn2)c1 ZINC000474149331 502815207 /nfs/dbraw/zinc/81/52/07/502815207.db2.gz HKBKIHXBJQIKMB-UHFFFAOYSA-N 2 0 359.905 3.229 20 0 FGADRP CC(C)(C)[NH+]1CCC([NH2+]C[C@@H](CO)Cc2c(F)cccc2Cl)CC1 ZINC000512970984 502823791 /nfs/dbraw/zinc/82/37/91/502823791.db2.gz YDSZFZORMPXOPC-AWEZNQCLSA-N 2 0 356.913 3.483 20 0 FGADRP COc1cccc([C@@H]2[C@H](N[C@@H]3CC[NH+]4CCC[C@H]4C3)CC[N@@H+]2C2CC2)c1 ZINC000495407427 502835781 /nfs/dbraw/zinc/83/57/81/502835781.db2.gz IPSOXCJFLKZCQP-HGIWEUDGSA-N 2 0 355.526 3.189 20 0 FGADRP C[NH+](C)CC1CC[NH+](Cc2nc3cc(Br)ccc3o2)CC1 ZINC000509280613 502866194 /nfs/dbraw/zinc/86/61/94/502866194.db2.gz WCZPDCOSYMRIQJ-UHFFFAOYSA-N 2 0 352.276 3.364 20 0 FGADRP C[N@@H+]1CCC[C@@H]1CC[NH2+][C@@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1 ZINC000513195720 502874287 /nfs/dbraw/zinc/87/42/87/502874287.db2.gz GRMRHISHZWNLQR-QZTJIDSGSA-N 2 0 356.432 3.481 20 0 FGADRP CCC[N@@H+]1CC[C@H](CNC(=O)NC[C@]2(C)CCC[NH+]2Cc2ccccc2)C1 ZINC000489091564 502877808 /nfs/dbraw/zinc/87/78/08/502877808.db2.gz ZPCAXOVNNBHSCV-IRLDBZIGSA-N 2 0 372.557 3.072 20 0 FGADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000500855361 502879112 /nfs/dbraw/zinc/87/91/12/502879112.db2.gz AIJDZONHRATYMO-NRFANRHFSA-N 2 0 372.557 3.346 20 0 FGADRP Cc1sc2ncnc(NC3CC[NH+](C4CCN(C)CC4)CC3)c2c1C ZINC000496222991 502879610 /nfs/dbraw/zinc/87/96/10/502879610.db2.gz OORMWNSPKSCYEA-UHFFFAOYSA-N 2 0 359.543 3.279 20 0 FGADRP CO[C@@H](c1ccccc1Cl)[C@H](C)[NH2+]CCCN1CC[NH+](C(C)C)CC1 ZINC000500991925 502907678 /nfs/dbraw/zinc/90/76/78/502907678.db2.gz XFWXRYOFSAFFLJ-FXAWDEMLSA-N 2 0 367.965 3.422 20 0 FGADRP CC[C@H]1CCCCN1C(=O)C[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501037229 502918765 /nfs/dbraw/zinc/91/87/65/502918765.db2.gz GIUKZSMXCYMVCH-IBGZPJMESA-N 2 0 358.530 3.021 20 0 FGADRP CCC[NH+]1CCN(c2ccccc2C[N@H+](C)C[C@H]2CCCC[C@H]2O)CC1 ZINC000497122826 502922789 /nfs/dbraw/zinc/92/27/89/502922789.db2.gz BPXRHKQKMZVHDV-IFMALSPDSA-N 2 0 359.558 3.202 20 0 FGADRP C[N@@H+](Cc1cccc2c1OCCO2)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501074549 502929619 /nfs/dbraw/zinc/92/96/19/502929619.db2.gz BZOQDQAMIQSRIF-UHFFFAOYSA-N 2 0 353.466 3.201 20 0 FGADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)NC[C@@H]([NH2+][C@@H](C)CC)c2ccco2)C1 ZINC000509569606 502936840 /nfs/dbraw/zinc/93/68/40/502936840.db2.gz NOKWTPRYXOMSFF-OKZBNKHCSA-N 2 0 364.534 3.082 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)NCC[N@@H+]1CCCC[C@H]1C)c1ccsc1 ZINC000501161799 502951793 /nfs/dbraw/zinc/95/17/93/502951793.db2.gz GNSYWPOGJTXGSL-SJLPKXTDSA-N 2 0 366.575 3.305 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccsc1 ZINC000501178283 502953863 /nfs/dbraw/zinc/95/38/63/502953863.db2.gz YGQPJXCQRUFMMD-FGTMMUONSA-N 2 0 364.559 3.057 20 0 FGADRP C[C@@H]1CN(C(=O)c2cccc(C[NH+](C)Cc3ccccc3)c2)[C@@H](C)C[N@@H+]1C ZINC000509655036 502958605 /nfs/dbraw/zinc/95/86/05/502958605.db2.gz UVBFPAIMCWGTBM-MOPGFXCFSA-N 2 0 365.521 3.483 20 0 FGADRP C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(=O)c1cccc(C[NH+](C)Cc2ccccc2)c1 ZINC000509655042 502959111 /nfs/dbraw/zinc/95/91/11/502959111.db2.gz UVBFPAIMCWGTBM-RBUKOAKNSA-N 2 0 365.521 3.483 20 0 FGADRP COc1ccc(C(=O)CC[NH+]2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc1 ZINC000509665952 502962340 /nfs/dbraw/zinc/96/23/40/502962340.db2.gz MWGCCFUTDZQRLU-HDICACEKSA-N 2 0 374.525 3.089 20 0 FGADRP CN(CCC[NH+]1CCN(c2ccccc2)CC1)CC[C@H]1CCCC[N@@H+]1C ZINC000509667429 502962633 /nfs/dbraw/zinc/96/26/33/502962633.db2.gz RBDCXXGDOQAAHM-OAQYLSRUSA-N 2 0 358.574 3.005 20 0 FGADRP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)c1ccc(Br)c(F)c1 ZINC000489470988 502967062 /nfs/dbraw/zinc/96/70/62/502967062.db2.gz ARFBRROFUNSGMC-HIFRSBDPSA-N 2 0 373.310 3.476 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc(SC)ccc1C ZINC000505719616 502972540 /nfs/dbraw/zinc/97/25/40/502972540.db2.gz MIBOHGKIDATNHF-QGZVFWFLSA-N 2 0 363.571 3.205 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cc(SC)ccc1C ZINC000505719615 502972668 /nfs/dbraw/zinc/97/26/68/502972668.db2.gz MIBOHGKIDATNHF-KRWDZBQOSA-N 2 0 363.571 3.205 20 0 FGADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC000489565477 502987335 /nfs/dbraw/zinc/98/73/35/502987335.db2.gz ZRXOCRZGNQCBPN-KZNAEPCWSA-N 2 0 352.567 3.059 20 0 FGADRP O=C(NC[C@@H]1CCC[N@@H+]1CC1CCCCC1)C1CCN(CC(F)F)CC1 ZINC000497582852 502993046 /nfs/dbraw/zinc/99/30/46/502993046.db2.gz RDYDDJNRLMWRFC-SFHVURJKSA-N 2 0 371.516 3.124 20 0 FGADRP C[C@H](Cc1ccc(O)cc1)[NH2+]CCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000509849908 502998615 /nfs/dbraw/zinc/99/86/15/502998615.db2.gz LEGCZOPGJUJVGA-HXUWFJFHSA-N 2 0 367.537 3.121 20 0 FGADRP CC(C)C(=O)NCC[NH2+][C@@H]1CCCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000513679235 502999047 /nfs/dbraw/zinc/99/90/47/502999047.db2.gz VRTYUPDKLSKVJK-QHAWAJNXSA-N 2 0 357.542 3.039 20 0 FGADRP C[C@H](CNC(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000501499208 503021504 /nfs/dbraw/zinc/02/15/04/503021504.db2.gz DPWKICAZDWOESR-SBHAEUEKSA-N 2 0 372.557 3.243 20 0 FGADRP C[C@@H](CNC(=O)Nc1cccc(OCC[NH+](C)C)c1)[N@@H+]1CCCC[C@H]1C ZINC000501525095 503028562 /nfs/dbraw/zinc/02/85/62/503028562.db2.gz ZIQWEZPMWGYLGU-SJORKVTESA-N 2 0 362.518 3.011 20 0 FGADRP C[C@@H](CNC(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1)[N@@H+]1CCCC[C@H]1C ZINC000501528328 503029388 /nfs/dbraw/zinc/02/93/88/503029388.db2.gz CSRADAQNBSONJN-SVFBPWRDSA-N 2 0 372.557 3.386 20 0 FGADRP C[C@H]1CCCC[C@@H]1OCC[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000506030001 503032625 /nfs/dbraw/zinc/03/26/25/503032625.db2.gz DYBJRUWVEKGZGY-FPOVZHCZSA-N 2 0 352.563 3.406 20 0 FGADRP CCOc1cc2c(cc1CNCc1ncc(CN(C)C)s1)O[C@@H](C)C2 ZINC000510176439 503064473 /nfs/dbraw/zinc/06/44/73/503064473.db2.gz OMLMKPCODSWFSS-ZDUSSCGKSA-N 2 0 361.511 3.217 20 0 FGADRP CCC[C@@H]([NH3+])C(=O)N1CCC([N@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000497908185 503064767 /nfs/dbraw/zinc/06/47/67/503064767.db2.gz OBTUAZRXBOLHSK-QGZVFWFLSA-N 2 0 371.447 3.256 20 0 FGADRP CCC1(CNC(=O)N[C@H](C)CC[NH+](C)C)CC[NH+](Cc2ccccc2)CC1 ZINC000514014014 503068887 /nfs/dbraw/zinc/06/88/87/503068887.db2.gz UHEQISJQTFCDHP-LJQANCHMSA-N 2 0 374.573 3.318 20 0 FGADRP CC[NH+](CC)Cc1ccc(CNC(=O)N[C@H](C)C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000514027653 503072310 /nfs/dbraw/zinc/07/23/10/503072310.db2.gz UZFXNWKOISMTMA-RBUKOAKNSA-N 2 0 374.573 3.448 20 0 FGADRP C[NH+](C)CCCC1CC[NH+]([C@@H]2CCN(c3ccc(Cl)cc3)C2=O)CC1 ZINC000501769791 503075784 /nfs/dbraw/zinc/07/57/84/503075784.db2.gz JEOZCHFUTYITQK-LJQANCHMSA-N 2 0 363.933 3.499 20 0 FGADRP Cc1ccc([C@H](CNC(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)[NH+]2CCCC2)cc1 ZINC000514053811 503076673 /nfs/dbraw/zinc/07/66/73/503076673.db2.gz BEFDBDNEAQWWSX-HBMCJLEFSA-N 2 0 370.541 3.058 20 0 FGADRP C[NH+](C)CCCC1CC[NH+](CC(=O)NC23CC4CC(CC(C4)C2)C3)CC1 ZINC000501787414 503080829 /nfs/dbraw/zinc/08/08/29/503080829.db2.gz XBIQFSCLNUQNQT-UHFFFAOYSA-N 2 0 361.574 3.125 20 0 FGADRP C[C@H]1C[NH+](CCCC[NH2+]Cc2ccccc2-c2ccnn2C)C[C@H](C)O1 ZINC000510275528 503083177 /nfs/dbraw/zinc/08/31/77/503083177.db2.gz ZQGRPMULTURATI-ROUUACIJSA-N 2 0 356.514 3.066 20 0 FGADRP C[NH+](C)C1(CNC(=O)N(Cc2ccccc2)C2CC[NH+](C)CC2)CCCC1 ZINC000490008342 503089022 /nfs/dbraw/zinc/08/90/22/503089022.db2.gz PYHUQHAZYOBRIY-UHFFFAOYSA-N 2 0 372.557 3.167 20 0 FGADRP CCC(CC)[C@@H](CNC(=O)N1CCCC12CC[NH+](C)CC2)[NH+]1CCCC1 ZINC000510323669 503091951 /nfs/dbraw/zinc/09/19/51/503091951.db2.gz BFRQVJQZXZRPBH-LJQANCHMSA-N 2 0 364.578 3.157 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1CCCNC(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000501846877 503092807 /nfs/dbraw/zinc/09/28/07/503092807.db2.gz AZHPHKYHROTULX-CTNGQTDRSA-N 2 0 372.557 3.387 20 0 FGADRP C[C@H](C[NH+]1C[C@@H](C)C[C@H](C)C1)NC(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000514122754 503093205 /nfs/dbraw/zinc/09/32/05/503093205.db2.gz NRJWLGBBIKMABX-FUMNGEBKSA-N 2 0 366.594 3.164 20 0 FGADRP CC[NH+]1CCN(Cc2ccc(NC(=O)[C@H](C)[NH+]3CCCCCC3)cc2)CC1 ZINC000510351963 503097716 /nfs/dbraw/zinc/09/77/16/503097716.db2.gz ITDJWOGEURSZOE-IBGZPJMESA-N 2 0 372.557 3.027 20 0 FGADRP FC(F)(F)c1ccn(-c2ccc(C[N@@H+]3CCC[C@]4(CC[NH2+]C4)C3)cc2)n1 ZINC000490091206 503107894 /nfs/dbraw/zinc/10/78/94/503107894.db2.gz WGFQRYADYBEUIU-GOSISDBHSA-N 2 0 364.415 3.467 20 0 FGADRP CC[N@H+](C)[C@H](C(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C)c1ccccc1 ZINC000490116332 503111960 /nfs/dbraw/zinc/11/19/60/503111960.db2.gz DJRNHYAGPGVKDB-PMACEKPBSA-N 2 0 357.473 3.238 20 0 FGADRP C[C@@H](NC(=O)NCCC[NH+]1CCCCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000498128754 503112840 /nfs/dbraw/zinc/11/28/40/503112840.db2.gz WHTPSLAJZYVFQB-CTNGQTDRSA-N 2 0 372.557 3.072 20 0 FGADRP CCC[NH+]1CCC(CNC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)CC1 ZINC000490171628 503122385 /nfs/dbraw/zinc/12/23/85/503122385.db2.gz GHZIECOLGFPUAH-GHTZIAJQSA-N 2 0 372.557 3.071 20 0 FGADRP C[C@@H](CCc1c(F)cccc1F)[NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000510699017 503175303 /nfs/dbraw/zinc/17/53/03/503175303.db2.gz BROHPOKZNSPOSZ-INIZCTEOSA-N 2 0 374.479 3.223 20 0 FGADRP Cc1ccccc1[C@H]([C@@H](C)NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)[NH+](C)C ZINC000498403648 503179321 /nfs/dbraw/zinc/17/93/21/503179321.db2.gz WFCOHJSGRBPFAP-UBNGDBJXSA-N 2 0 372.557 3.301 20 0 FGADRP C[NH+](C)CCN(C(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1)C1CCCC1 ZINC000498449968 503186824 /nfs/dbraw/zinc/18/68/24/503186824.db2.gz BKANEERENNWPQZ-FQEVSTJZSA-N 2 0 357.542 3.231 20 0 FGADRP C[NH+](C)CCNC(=O)c1cccc(C[NH2+]Cc2ccc3c(c2)CCCC3)c1 ZINC000490795892 503229321 /nfs/dbraw/zinc/22/93/21/503229321.db2.gz LDNQPQXNJDBFQR-UHFFFAOYSA-N 2 0 365.521 3.147 20 0 FGADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000502586147 503232597 /nfs/dbraw/zinc/23/25/97/503232597.db2.gz SPXLKGUVHFSZFX-HZPDHXFCSA-N 2 0 365.484 3.087 20 0 FGADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)Cc1cc(Cl)ccc1Cl ZINC000502607907 503237684 /nfs/dbraw/zinc/23/76/84/503237684.db2.gz NPVWQTITYXHRCR-UHFFFAOYSA-N 2 0 374.356 3.268 20 0 FGADRP C[C@H]1C[N@H+](CCOc2cccc(C(C)(C)C)c2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000491020166 503261658 /nfs/dbraw/zinc/26/16/58/503261658.db2.gz NBHRIFJIGSBZDV-UGKGYDQZSA-N 2 0 373.585 3.321 20 0 FGADRP C[C@H](C[NH2+]CCC(=O)Nc1cccc(C(F)(F)F)c1)C[NH+]1CCCC1 ZINC000515165929 503282446 /nfs/dbraw/zinc/28/24/46/503282446.db2.gz PGNGRTPDDSIIQP-CQSZACIVSA-N 2 0 357.420 3.356 20 0 FGADRP C[C@@H]1CC[N@H+](C)CCN1C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000502837461 503284733 /nfs/dbraw/zinc/28/47/33/503284733.db2.gz ABJKMXFRNYHDRZ-LJQANCHMSA-N 2 0 372.557 3.298 20 0 FGADRP CC[C@H](CNC(=O)[C@H](C)[NH+]1[C@@H](C)CC[C@@H]1C)[N@@H+]1CCc2ccccc2C1 ZINC000511257310 503288437 /nfs/dbraw/zinc/28/84/37/503288437.db2.gz CYNDUOZPFWHPHQ-RYLXDESZSA-N 2 0 357.542 3.201 20 0 FGADRP CC(C)CC[NH+]1CCC(CNC(=O)N2CC[C@H]([NH+]3CCCC3)[C@H]2C)CC1 ZINC000498907358 503289165 /nfs/dbraw/zinc/28/91/65/503289165.db2.gz LVGWOICAVBRHGE-QUCCMNQESA-N 2 0 364.578 3.013 20 0 FGADRP CC[N@@H+]1CCC[C@H](CNC(=O)NCC2([NH+]3CCCCC3)CCCCC2)C1 ZINC000507410383 503295718 /nfs/dbraw/zinc/29/57/18/503295718.db2.gz UGTSZAFVEFUBBP-LJQANCHMSA-N 2 0 364.578 3.206 20 0 FGADRP Cc1ccccc1[C@H]([C@@H](C)NC(=O)NC[C@H]1CCCC[N@@H+]1C1CC1)[NH+](C)C ZINC000502897261 503302273 /nfs/dbraw/zinc/30/22/73/503302273.db2.gz WAQAMNLDEKPFRF-QFUCXCTJSA-N 2 0 372.557 3.302 20 0 FGADRP CCCC[N@H+](C)C[C@@H](C)NC(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000515261770 503304085 /nfs/dbraw/zinc/30/40/85/503304085.db2.gz JNNQQGQPXQEPKZ-QUCCMNQESA-N 2 0 360.546 3.243 20 0 FGADRP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(C[NH2+][C@H]3CCCC[C@@H]3C3CC3)c2)C1 ZINC000507521986 503314534 /nfs/dbraw/zinc/31/45/34/503314534.db2.gz CKORTKHGYSMHGI-VSKRKVRLSA-N 2 0 369.553 3.442 20 0 FGADRP COCCCOc1cccc(C[N@@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)c1 ZINC000507763275 503361977 /nfs/dbraw/zinc/36/19/77/503361977.db2.gz XQLKGDNOSFFMCL-IRLDBZIGSA-N 2 0 354.494 3.276 20 0 FGADRP C[NH+](C)CCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@H]1CCC[N@@H+]1C ZINC000507811950 503372031 /nfs/dbraw/zinc/37/20/31/503372031.db2.gz FTMHECCPQRJSCQ-QGZVFWFLSA-N 2 0 372.340 3.368 20 0 FGADRP C[NH+]1CCC(Oc2ccc(CNC(=O)CC[C@@H]3CCCC[N@@H+]3C)cc2)CC1 ZINC000511860598 503402258 /nfs/dbraw/zinc/40/22/58/503402258.db2.gz DBNMRBMDDBLSJX-IBGZPJMESA-N 2 0 373.541 3.040 20 0 FGADRP Cc1ccccc1[C@H]([C@@H](C)NC(=O)NC1CC([NH+]2CCCCC2)C1)[NH+](C)C ZINC000503431396 503408234 /nfs/dbraw/zinc/40/82/34/503408234.db2.gz QAYHIRXWRJKYAI-HZGZPEGRSA-N 2 0 372.557 3.302 20 0 FGADRP CCC[N@@H+]1CCC[C@H]1CNC(=O)N(CC)Cc1ccc(C[NH+](C)C)cc1 ZINC000511911549 503413892 /nfs/dbraw/zinc/41/38/92/503413892.db2.gz UAEDRAGIOYQOHN-FQEVSTJZSA-N 2 0 360.546 3.154 20 0 FGADRP C[C@H]1CN(C2CC2)C[C@H]1[NH2+]Cc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000493668194 503437695 /nfs/dbraw/zinc/43/76/95/503437695.db2.gz CDSMFNPVDDDJQV-HTAPYJJXSA-N 2 0 353.510 3.484 20 0 FGADRP CC(C)(C)c1nn(Cc2ccccc2)cc1CN1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000516063073 503438747 /nfs/dbraw/zinc/43/87/47/503438747.db2.gz KVGXVICSZZWUFV-RBUKOAKNSA-N 2 0 352.526 3.270 20 0 FGADRP CC1CC[NH+]([C@H](CNC(=O)[C@H]2CCC[N@@H+]2C2CC2)c2cccs2)CC1 ZINC000493676760 503439350 /nfs/dbraw/zinc/43/93/50/503439350.db2.gz IZIXYUZHTPXUCP-QZTJIDSGSA-N 2 0 361.555 3.264 20 0 FGADRP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccccc2N(C)C2CC[NH+](C)CC2)C1 ZINC000508144028 503439967 /nfs/dbraw/zinc/43/99/67/503439967.db2.gz VCUTWJPJCUZTOR-IBGZPJMESA-N 3 0 358.574 3.039 20 0 FGADRP C[C@H]1CN(C2CC2)C[C@@H]1[NH2+]CCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000493694970 503440641 /nfs/dbraw/zinc/44/06/41/503440641.db2.gz ZLQGPLYMXKJFNM-CVDCTZTESA-N 2 0 371.569 3.130 20 0 FGADRP CO[C@H](c1ccccc1)[C@@H](C)[NH2+]Cc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000493734314 503442364 /nfs/dbraw/zinc/44/23/64/503442364.db2.gz FBMCRURXXHYDIJ-XXBNENTESA-N 2 0 367.537 3.300 20 0 FGADRP CC[C@H](C)[NH2+][C@@H](CNC(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1)c1ccco1 ZINC000493814728 503447648 /nfs/dbraw/zinc/44/76/48/503447648.db2.gz WKLWKRNHBPNDKU-BZSNNMDCSA-N 2 0 364.534 3.128 20 0 FGADRP OC1CC[NH+](Cc2ccc(C[NH2+][C@H]3CCc4ccccc4OC3)cc2)CC1 ZINC000493880799 503452670 /nfs/dbraw/zinc/45/26/70/503452670.db2.gz BDSYSJUVSWAZKY-NRFANRHFSA-N 2 0 366.505 3.127 20 0 FGADRP C[C@@H]([NH2+]C1(CNC(=O)N2CCC[C@@H]([NH+](C)C)C2)CCCC1)c1ccccc1 ZINC000503699095 503462097 /nfs/dbraw/zinc/46/20/97/503462097.db2.gz KFIYGJCMMCJXGT-UYAOXDASSA-N 2 0 372.557 3.386 20 0 FGADRP CC[NH+](CC)Cc1cccc(CNC(=O)N[C@@H](C)C[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000516244461 503479767 /nfs/dbraw/zinc/47/97/67/503479767.db2.gz SSOKGGIMVGEMEX-MOPGFXCFSA-N 2 0 374.573 3.448 20 0 FGADRP C[C@@H]1[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000494058825 503480423 /nfs/dbraw/zinc/48/04/23/503480423.db2.gz GXZQMJMZHUROCF-DUXKGJEZSA-N 2 0 355.526 3.173 20 0 FGADRP C[C@H]([NH2+]C(C)(C)CNC(=O)NCC1(C)CC[NH+](C)CC1)c1ccccc1 ZINC000508399208 503487809 /nfs/dbraw/zinc/48/78/09/503487809.db2.gz FXAVEYJIHGZTHC-KRWDZBQOSA-N 2 0 360.546 3.147 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)[C@@H]3CCC[NH+]3C3CC3)cc2)C1 ZINC000494281141 503519084 /nfs/dbraw/zinc/51/90/84/503519084.db2.gz BTUSQEYDFKWCNE-SVMVAKDDSA-N 2 0 369.553 3.408 20 0 FGADRP C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)[C@@H]3CCC[NH+]3C3CC3)cc2)C1 ZINC000494294943 503522195 /nfs/dbraw/zinc/52/21/95/503522195.db2.gz FJKWMAUKLIEUBS-UWJYYQICSA-N 2 0 355.526 3.162 20 0 FGADRP CCN(CC[NH+]1CCCCCC1)C(=O)NC[C@H]1CCC[N@H+](CC(C)C)C1 ZINC000499966215 503523779 /nfs/dbraw/zinc/52/37/79/503523779.db2.gz APTXHKJAMCUORA-HXUWFJFHSA-N 2 0 366.594 3.262 20 0 FGADRP C[C@H](Nc1ccc(N2CCOCC2)cn1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508719127 503550793 /nfs/dbraw/zinc/55/07/93/503550793.db2.gz PAEJUFSTZPIPND-AZUAARDMSA-N 2 0 366.509 3.241 20 0 FGADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+][C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000494505071 503553555 /nfs/dbraw/zinc/55/35/55/503553555.db2.gz JFBUONQDZYIWRO-GZOSKZMVSA-N 2 0 366.347 3.346 20 0 FGADRP C[C@@H](NC(=O)NC1CCC(C[NH+](C)C)CC1)[C@@H](c1ccccc1)[NH+](C)C ZINC000500102867 503554878 /nfs/dbraw/zinc/55/48/78/503554878.db2.gz ANLMSLGIJLHXIV-OQUMVOOASA-N 2 0 360.546 3.097 20 0 FGADRP CC[NH+](CC)Cc1cccc(CNC(=O)NCC2([NH+](C)C)CCCC2)c1 ZINC000500132544 503561622 /nfs/dbraw/zinc/56/16/22/503561622.db2.gz ZFOXPLPFPOEELW-UHFFFAOYSA-N 2 0 360.546 3.202 20 0 FGADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N[C@@H](C)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000500182981 503572986 /nfs/dbraw/zinc/57/29/86/503572986.db2.gz MIIOKXNGMYIKIJ-ZVDOUQERSA-N 2 0 374.573 3.345 20 0 FGADRP C/C=C\c1ccc(OC[C@@H](O)C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)c(OC)c1 ZINC000512543068 503579951 /nfs/dbraw/zinc/57/99/51/503579951.db2.gz YXOAXMKONUTDEG-VCKUTCFQSA-N 2 0 374.525 3.025 20 0 FGADRP CC(C)(C)Oc1cccc(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)n1 ZINC000508862138 503581464 /nfs/dbraw/zinc/58/14/64/503581464.db2.gz VYZLDYUKRAQGDB-UHFFFAOYSA-N 2 0 361.530 3.193 20 0 FGADRP C[C@@H]1C[C@H](CCNC(=O)C[NH+]2CCC(C)CC2)C[N@@H+]1Cc1ccccc1 ZINC000512545453 503581468 /nfs/dbraw/zinc/58/14/68/503581468.db2.gz OFIRUMFPSOCHCU-CTNGQTDRSA-N 2 0 357.542 3.135 20 0 FGADRP C(=C/C[N@H+]1CCC[C@H](OCC2CC2)C1)\C[NH+]1CCC[C@@H](OCC2CC2)C1 ZINC000494657468 503585848 /nfs/dbraw/zinc/58/58/48/503585848.db2.gz UATGBYLCOYIEOS-XFDDJKQHSA-N 2 0 362.558 3.325 20 0 FGADRP CN(CC(=O)NCC1(c2ccccc2)CCCC1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000512569561 503586169 /nfs/dbraw/zinc/58/61/69/503586169.db2.gz PCKXJUKJWRKANY-WCRBZPEASA-N 2 0 369.553 3.172 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)CC[C@H]1CCC[NH2+]1)c1ccccc1Cl ZINC000494681023 503590346 /nfs/dbraw/zinc/59/03/46/503590346.db2.gz JUPNHTVVHBDNJL-CRAIPNDOSA-N 2 0 351.922 3.371 20 0 FGADRP Cc1ccccc1[C@H]([C@H](C)NC(=O)N(C)[C@H](C)C1CC[NH+](C)CC1)[NH+](C)C ZINC000508899876 503594818 /nfs/dbraw/zinc/59/48/18/503594818.db2.gz WIDLRQIFHLUZKW-UEXGIBASSA-N 2 0 374.573 3.358 20 0 FGADRP Cc1ccccc1[C@H]([C@H](C)NC(=O)N1CC[C@@H](C[NH+]2CCCC2)C1)[NH+](C)C ZINC000508909732 503597617 /nfs/dbraw/zinc/59/76/17/503597617.db2.gz XNQLXKMFSQFYGW-ZJOUEHCJSA-N 2 0 372.557 3.114 20 0 FGADRP c1[nH]nc2c1CC[C@H]([NH2+][C@H]1CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]31)C2 ZINC000512640994 503601282 /nfs/dbraw/zinc/60/12/82/503601282.db2.gz CEDDINIBMKUAIA-TUFLPTIASA-N 2 0 350.510 3.157 20 0 FGADRP COCc1ccccc1/C=C(/C)C[NH2+]C(C)(C)CCN1CC[NH+](C)CC1 ZINC000512644775 503602162 /nfs/dbraw/zinc/60/21/62/503602162.db2.gz UWGSAQXZGRTZIT-MNDPQUGUSA-N 2 0 359.558 3.242 20 0 FGADRP C[NH+](C)[C@H](CNC(=O)N1CCC[C@@H]1C[NH+]1CCCCC1)c1ccsc1 ZINC000517148841 503655512 /nfs/dbraw/zinc/65/55/12/503655512.db2.gz JSXLPOKHDCECNO-QZTJIDSGSA-N 2 0 364.559 3.011 20 0 FGADRP C[N@@H+](CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)C[C@@H]1CC=CCC1 ZINC000543180486 503663993 /nfs/dbraw/zinc/66/39/93/503663993.db2.gz VWVMFZPBPKSLOQ-GOSISDBHSA-N 2 0 373.566 3.462 20 0 FGADRP CC1(C(=O)NC[C@H]2CC[N@@H+]2C2CCCCC2)CCN(c2cc[nH+]cc2)CC1 ZINC000529713982 503671938 /nfs/dbraw/zinc/67/19/38/503671938.db2.gz CALMUVOUUWQEGB-HXUWFJFHSA-N 2 0 370.541 3.211 20 0 FGADRP Cc1ccc(C[NH+]2CCN(c3ccccc3OCC[NH+](C)C)CC2)s1 ZINC000536675443 503675122 /nfs/dbraw/zinc/67/51/22/503675122.db2.gz NTDNLTQTBRTNRU-UHFFFAOYSA-N 2 0 359.539 3.319 20 0 FGADRP CCC[NH+]1CCC([NH2+]C2CCC(N3C(=O)c4ccccc4C3=O)CC2)CC1 ZINC000527106153 503682093 /nfs/dbraw/zinc/68/20/93/503682093.db2.gz VJABXINRZKEGKD-UHFFFAOYSA-N 2 0 369.509 3.058 20 0 FGADRP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](CCCCOc2ccccc2)CC1 ZINC000527108033 503682308 /nfs/dbraw/zinc/68/23/08/503682308.db2.gz XZLTUXYDSQNDHH-NHCUHLMSSA-N 2 0 359.558 3.336 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H](NC[C@@H]2CCCC[NH+]2CC(C)C)[C@@H](C)C1 ZINC000540147201 503688801 /nfs/dbraw/zinc/68/88/01/503688801.db2.gz QNDKPEBAKCIPDC-ACRUOGEOSA-N 2 0 353.595 3.224 20 0 FGADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+](Cc1ccccc1)[C@@H](CO)C1CC1 ZINC000546266642 503691863 /nfs/dbraw/zinc/69/18/63/503691863.db2.gz HZNRAVQQYHMVQT-QFIPXVFZSA-N 2 0 362.477 3.349 20 0 FGADRP CC[N@H+](CCC1CCN(C(=O)C[NH+](C)[C@H]2CCSC2)CC1)CC(C)C ZINC000540235279 503718955 /nfs/dbraw/zinc/71/89/55/503718955.db2.gz NOAADMBEWQJRAF-IBGZPJMESA-N 2 0 369.619 3.030 20 0 FGADRP CC(C)[C@@H]([NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1)c1ccccc1 ZINC000540301814 503732448 /nfs/dbraw/zinc/73/24/48/503732448.db2.gz JXYMXVLMFWHHTG-OAQYLSRUSA-N 2 0 367.541 3.366 20 0 FGADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)Cc1csc2ccc(Cl)cc12 ZINC000533110938 503734757 /nfs/dbraw/zinc/73/47/57/503734757.db2.gz CMQJKYPWXJBDQC-UHFFFAOYSA-N 2 0 367.946 3.049 20 0 FGADRP CC[N@H+](CCC1CCN(C(=O)C[NH+]2[C@H](C)CC[C@@H]2C)CC1)CC(C)C ZINC000536927756 503762656 /nfs/dbraw/zinc/76/26/56/503762656.db2.gz UTOYCYXPPRVLHL-KDURUIRLSA-N 2 0 351.579 3.466 20 0 FGADRP CCC(C)(C)[NH2+][C@H](C)C(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1 ZINC000543433076 503767554 /nfs/dbraw/zinc/76/75/54/503767554.db2.gz SYXZPLWIRPTJOE-CYBMUJFWSA-N 2 0 355.910 3.386 20 0 FGADRP CC[NH+](CC)CC1CCN(C(=O)NCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000517590160 503779753 /nfs/dbraw/zinc/77/97/53/503779753.db2.gz UPMHFCFNTCBWLU-GOSISDBHSA-N 2 0 366.594 3.260 20 0 FGADRP Cc1nc(C2CCCCC2)sc1C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000540472563 503781880 /nfs/dbraw/zinc/78/18/80/503781880.db2.gz YPSHZUREQRAINK-UHFFFAOYSA-N 2 0 366.575 3.065 20 0 FGADRP C[C@@H]([NH2+]CCC[NH+]1CCCC1)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000537085519 503796940 /nfs/dbraw/zinc/79/69/40/503796940.db2.gz FDRCCLJCVZFTKU-QGZVFWFLSA-N 2 0 352.482 3.470 20 0 FGADRP CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@@H+]2C2CCCC2)(c2ccccc2)CC1 ZINC000530024888 503798791 /nfs/dbraw/zinc/79/87/91/503798791.db2.gz AFNOBJMRHUOFPX-NRFANRHFSA-N 2 0 369.553 3.173 20 0 FGADRP C[C@@H]1C[NH+](CCOc2ccc(CC[NH2+][C@@H]3CC[N@H+](C)[C@@H](C)C3)cc2)C[C@H]1C ZINC000537096136 503801554 /nfs/dbraw/zinc/80/15/54/503801554.db2.gz IMCCKLZGCURXHR-XWSHUIEDSA-N 3 0 373.585 3.268 20 0 FGADRP CN1CC[NH+](CC2(C)CC[NH+](C[C@@H]3CCc4ccccc4C3)CC2)CC1 ZINC000543524183 503802269 /nfs/dbraw/zinc/80/22/69/503802269.db2.gz KFLHNUDTFGXVDJ-HXUWFJFHSA-N 2 0 355.570 3.141 20 0 FGADRP CN(CCC[NH+](C)C)C(=O)N[C@H](C[N@@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000543673373 503848162 /nfs/dbraw/zinc/84/81/62/503848162.db2.gz BLGVBZYXPARZPP-HXUWFJFHSA-N 2 0 374.573 3.053 20 0 FGADRP CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)Cn1cnc2c1CCCC2 ZINC000546719286 503849886 /nfs/dbraw/zinc/84/98/86/503849886.db2.gz LJOPLPHUYNQPSE-HXUWFJFHSA-N 2 0 368.525 3.035 20 0 FGADRP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)NCC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)C1 ZINC000517887975 503858105 /nfs/dbraw/zinc/85/81/05/503858105.db2.gz MUTYBTUTBOIHLO-QRVBRYPASA-N 2 0 366.594 3.163 20 0 FGADRP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)CCN(C)c2cc[nH+]cc2)C1 ZINC000543715225 503863766 /nfs/dbraw/zinc/86/37/66/503863766.db2.gz LKFYUNSDFWDUDI-OALUTQOASA-N 2 0 358.530 3.021 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)CCN(C)c1cc[nH+]cc1)c1ccccc1 ZINC000543716284 503864465 /nfs/dbraw/zinc/86/44/65/503864465.db2.gz HYHRVVUKZQJLJM-HXUWFJFHSA-N 2 0 354.498 3.107 20 0 FGADRP C[C@H]1CC([NH2+]Cc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)C[C@H](C)C1 ZINC000533497835 503864939 /nfs/dbraw/zinc/86/49/39/503864939.db2.gz CEESVSASCRSRFO-HLIPFELVSA-N 2 0 357.542 3.298 20 0 FGADRP CC[C@H]([NH2+]CC(=O)N1CCC[N@H+](Cc2ccc(C)cc2)CC1)C(C)(C)C ZINC000537291412 503869978 /nfs/dbraw/zinc/86/99/78/503869978.db2.gz QEPTWFMZOXESDQ-FQEVSTJZSA-N 2 0 359.558 3.444 20 0 FGADRP O[C@@H]1CCC[C@@H]1[NH+]1CCC([NH2+]CC2(O)CCC(c3ccccc3)CC2)CC1 ZINC000530233256 503884404 /nfs/dbraw/zinc/88/44/04/503884404.db2.gz WASXTUKBXLQWLL-XOUFRROXSA-N 2 0 372.553 3.043 20 0 FGADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)[C@@H]2CCC[NH+]2Cc2ccccc2)C1 ZINC000518031225 503894379 /nfs/dbraw/zinc/89/43/79/503894379.db2.gz YRTXGSKCOQNHMQ-CTNGQTDRSA-N 2 0 357.542 3.279 20 0 FGADRP C[NH+](C)CCOc1cc(C[NH2+]Cc2ccsc2C(F)(F)F)ccn1 ZINC000527689049 503896101 /nfs/dbraw/zinc/89/61/01/503896101.db2.gz VCAIKQYQSSJRPM-UHFFFAOYSA-N 2 0 359.417 3.392 20 0 FGADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)NC[C@@H]2CC[NH+]2C2CCCC2)C1 ZINC000527691340 503897224 /nfs/dbraw/zinc/89/72/24/503897224.db2.gz JMXNHCZBJQKSIT-QFUCXCTJSA-N 2 0 370.541 3.138 20 0 FGADRP CC[N@H+](C)Cc1cccc(CNC(=O)NCC[NH+]2[C@H](C)CCC[C@@H]2C)c1 ZINC000518103853 503909686 /nfs/dbraw/zinc/90/96/86/503909686.db2.gz KEMANTDYLSDBMW-HDICACEKSA-N 2 0 360.546 3.200 20 0 FGADRP CCC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)NC1CC[NH+](CC)CC1 ZINC000527716394 503910905 /nfs/dbraw/zinc/91/09/05/503910905.db2.gz POJSKCQILSZAQM-TZIWHRDSSA-N 2 0 357.542 3.135 20 0 FGADRP CC(C)[NH+]1CCN(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCC(C)CC2)CC1 ZINC000518363611 503963742 /nfs/dbraw/zinc/96/37/42/503963742.db2.gz DTMVKZYVGFXISN-NRFANRHFSA-N 2 0 372.557 3.195 20 0 FGADRP C[C@@H]1CCC[C@](CNC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)([NH+](C)C)C1 ZINC000518366663 503964129 /nfs/dbraw/zinc/96/41/29/503964129.db2.gz FOHIWEXRLSJLFS-UZKOGDIHSA-N 2 0 372.557 3.071 20 0 FGADRP CC(C)[C@@H](C[NH2+][C@@H]1CCc2cc(F)c(Cl)cc21)N1CC[NH+](C)CC1 ZINC000527854958 503973730 /nfs/dbraw/zinc/97/37/30/503973730.db2.gz ZKEAXOPSAJXFOC-RTBURBONSA-N 2 0 353.913 3.328 20 0 FGADRP C[C@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)c1cc(-c2ccccc2)n(C)n1 ZINC000527858422 503974866 /nfs/dbraw/zinc/97/48/66/503974866.db2.gz KBNNVRNUKKNWET-SFHVURJKSA-N 2 0 369.557 3.011 20 0 FGADRP O[C@@H]1CCC[C@H]1[NH+]1CCC([NH2+][C@@H]2CCc3cc(F)c(Cl)cc32)CC1 ZINC000527874793 503982118 /nfs/dbraw/zinc/98/21/18/503982118.db2.gz YOEJNKULPIBWSY-GUDVDZBRSA-N 2 0 352.881 3.434 20 0 FGADRP Cc1cccc([C@@H]([NH2+]CC2(N3CCOCC3)CC[NH+](C)CC2)C(C)C)c1 ZINC000527909148 503994502 /nfs/dbraw/zinc/99/45/02/503994502.db2.gz PKNGSQQSLBCWQQ-NRFANRHFSA-N 2 0 359.558 3.078 20 0 FGADRP CC(C)[NH+]1CCN([C@H]2CC[N@H+](Cc3ccc4c(c3)CCC(C)(C)O4)C2)CC1 ZINC000537660014 503996080 /nfs/dbraw/zinc/99/60/80/503996080.db2.gz ZRRFXKALUUJRKK-NRFANRHFSA-N 2 0 371.569 3.391 20 0 FGADRP C[C@H]([NH2+]C[C@H](n1cccn1)C(F)(F)F)c1cccc(OCC[NH+](C)C)c1 ZINC000527929670 504002613 /nfs/dbraw/zinc/00/26/13/504002613.db2.gz DYULVEZUGBYCLQ-YOEHRIQHSA-N 2 0 370.419 3.278 20 0 FGADRP CCC[NH+]1CCN(c2ccccc2C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)CC1 ZINC000537694958 504008054 /nfs/dbraw/zinc/00/80/54/504008054.db2.gz XUOZUZIRJDIRSW-RBBKRZOGSA-N 3 0 370.585 3.135 20 0 FGADRP C[C@H](C1CC1)N(Cc1ccccc1)C(=O)CN1CCC2(CCC[N@@H+]2C)CC1 ZINC000544116949 504012765 /nfs/dbraw/zinc/01/27/65/504012765.db2.gz JXVPBMYVCKPDQN-LJQANCHMSA-N 2 0 369.553 3.374 20 0 FGADRP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)C1 ZINC000518593127 504022951 /nfs/dbraw/zinc/02/29/51/504022951.db2.gz ZVGHPAPGGWYHBM-VAMGGRTRSA-N 2 0 364.578 3.014 20 0 FGADRP Cc1ccc([C@H](CNC(=O)NCC[N@H+]2[C@H](C)CCC[C@@H]2C)[NH+](C)C)cc1 ZINC000518594344 504023391 /nfs/dbraw/zinc/02/33/91/504023391.db2.gz YQGPWHUJPVVLLC-NSHGMRRFSA-N 2 0 360.546 3.160 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CC[NH+](Cc3ccccc3)[C@@H]2C)[C@H](C)C1 ZINC000518597843 504023531 /nfs/dbraw/zinc/02/35/31/504023531.db2.gz RXKAGRGFTIDIAN-UKAVVXHISA-N 2 0 372.557 3.021 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(F)c(NC2CC[NH+](C)CC2)c1 ZINC000537757193 504029862 /nfs/dbraw/zinc/02/98/62/504029862.db2.gz PMKUWVIWBWFNAL-OAHLLOKOSA-N 2 0 362.493 3.145 20 0 FGADRP COc1ccc([C@H](CCn2cncn2)[NH2+]C[C@@H]2CCN2C2CCCC2)cc1 ZINC000528001611 504034729 /nfs/dbraw/zinc/03/47/29/504034729.db2.gz MJBQPPGCBHEUJW-FPOVZHCZSA-N 2 0 369.513 3.025 20 0 FGADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000530642148 504036139 /nfs/dbraw/zinc/03/61/39/504036139.db2.gz UJZZNVGXFQXVGG-JKSUJKDBSA-N 2 0 372.340 3.049 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(C)(C)C(=O)N1CCCC1 ZINC000528015985 504041256 /nfs/dbraw/zinc/04/12/56/504041256.db2.gz ZWROEVDFSKTRIW-QUCCMNQESA-N 2 0 357.542 3.135 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)CC(=O)N[C@@H](c2ccc(OC)cc2)C2CC2)C[C@H]1C ZINC000530662414 504043811 /nfs/dbraw/zinc/04/38/11/504043811.db2.gz ZYHKVRVNGGRIFT-GTCCEBARSA-N 2 0 373.541 3.067 20 0 FGADRP C[C@H](CCNC(=O)N(C)CCC[NH+]1CCCC1)[N@H+](C)Cc1ccccc1 ZINC000541240051 504055908 /nfs/dbraw/zinc/05/59/08/504055908.db2.gz UVNYPFCOYDRXID-LJQANCHMSA-N 2 0 360.546 3.024 20 0 FGADRP CC(C)[N@@H+]1CC[C@@H](CNC(=O)N2CC[C@H](C)[NH+](Cc3ccccc3)CC2)C1 ZINC000530769842 504082567 /nfs/dbraw/zinc/08/25/67/504082567.db2.gz WGGWNXCFNZNIAT-FPOVZHCZSA-N 2 0 372.557 3.023 20 0 FGADRP C[NH+]1CCC(NC(=O)[C@@H](c2c(F)cccc2Cl)N2CCCCC2)CC1 ZINC000544371558 504106448 /nfs/dbraw/zinc/10/64/48/504106448.db2.gz MLXOYAWLSUVMPN-GOSISDBHSA-N 2 0 367.896 3.217 20 0 FGADRP C[NH+](C)CCN(C(=O)Nc1ccccc1C(F)(F)F)C1CC[NH+](C)CC1 ZINC000530934376 504134897 /nfs/dbraw/zinc/13/48/97/504134897.db2.gz DHWVJMUQOJOHDB-UHFFFAOYSA-N 2 0 372.435 3.195 20 0 FGADRP CC(C)[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)c1ccc2[nH]c(=O)oc2c1 ZINC000538115008 504134855 /nfs/dbraw/zinc/13/48/55/504134855.db2.gz WYYQNFPMUDAWHW-BJLQDIEVSA-N 2 0 373.497 3.198 20 0 FGADRP Cc1n[nH]c(C)c1C[NH2+]CCc1ccc(OCC[NH+]2C[C@@H](C)[C@H](C)C2)cc1 ZINC000538124267 504137251 /nfs/dbraw/zinc/13/72/51/504137251.db2.gz HNOSSYVJVXGWBI-IAGOWNOFSA-N 2 0 370.541 3.325 20 0 FGADRP Cc1n[nH]c(C)c1C[NH2+]CCc1ccc(OCC[N@H+]2C[C@H](C)[C@H](C)C2)cc1 ZINC000538124246 504137615 /nfs/dbraw/zinc/13/76/15/504137615.db2.gz HNOSSYVJVXGWBI-CALCHBBNSA-N 2 0 370.541 3.325 20 0 FGADRP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000519358290 504200422 /nfs/dbraw/zinc/20/04/22/504200422.db2.gz UVRFCMQNVGRRNF-RTBURBONSA-N 2 0 372.557 3.345 20 0 FGADRP CN1CC[NH+](CC2(C)CC[NH+](CCOc3ccc(Cl)cc3)CC2)CC1 ZINC000541667627 504216190 /nfs/dbraw/zinc/21/61/90/504216190.db2.gz UTZNEHFJJZIYDO-UHFFFAOYSA-N 2 0 365.949 3.068 20 0 FGADRP C[C@@H]1C[C@@H]1c1ccc(C[NH2+]CC2CC[NH+](CC(=O)NC(C)(C)C)CC2)o1 ZINC000538413180 504239991 /nfs/dbraw/zinc/23/99/91/504239991.db2.gz ZGJXKSWMISYMFG-QAPCUYQASA-N 2 0 361.530 3.119 20 0 FGADRP CC[C@H](C(=O)NC[C@@H](c1ccc(SC)cc1)[NH+](C)C)[NH+](CC)CC ZINC000519532143 504242941 /nfs/dbraw/zinc/24/29/41/504242941.db2.gz HODHWZSBWBFNTP-MSOLQXFVSA-N 2 0 351.560 3.248 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cc(C)nc(N3CCCC3)c2)[C@@H](C)C1 ZINC000519571457 504257580 /nfs/dbraw/zinc/25/75/80/504257580.db2.gz QNUVHAPCVSKBKD-RXVVDRJESA-N 2 0 374.573 3.217 20 0 FGADRP Cc1ccc([C@H](CNC(=O)NCC2(C[NH+](C)C)CCCC2)[NH+](C)C)cc1 ZINC000541836990 504268975 /nfs/dbraw/zinc/26/89/75/504268975.db2.gz CLILCMNFHBHUCB-IBGZPJMESA-N 2 0 360.546 3.019 20 0 FGADRP CCN(C(=O)CCN(C)c1cc[nH+]cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000544876333 504287677 /nfs/dbraw/zinc/28/76/77/504287677.db2.gz ZNTIOIKMFWJXNA-OAQYLSRUSA-N 2 0 366.509 3.031 20 0 FGADRP COC(=O)c1cc2c(o1)c(OC)ccc2C[NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000531391893 504291784 /nfs/dbraw/zinc/29/17/84/504291784.db2.gz ZBBZXNIPAJUSEI-LSDHHAIUSA-N 2 0 360.454 3.190 20 0 FGADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+][C@H]2CCN(C(C)(C)C)C2=O)CC1 ZINC000519658290 504293085 /nfs/dbraw/zinc/29/30/85/504293085.db2.gz ZGNNSRIBMAQIEV-MHJFOBGBSA-N 2 0 357.542 3.419 20 0 FGADRP CC[C@@H]([NH2+][C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C)c1ccc(C)cc1 ZINC000538588021 504294279 /nfs/dbraw/zinc/29/42/79/504294279.db2.gz LCAMOEFJYNVUIG-YADHBBJMSA-N 2 0 367.537 3.325 20 0 FGADRP C[C@H](C(=O)N1CCCCC1)[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000534967450 504296583 /nfs/dbraw/zinc/29/65/83/504296583.db2.gz XKAUNLUDOLEZMB-HXUWFJFHSA-N 2 0 369.553 3.376 20 0 FGADRP C[C@@H]1C[C@H](N(C)C(=O)[C@@H]2CCCN2Cc2ccc(Cl)cc2)CC[N@@H+]1C ZINC000528650622 504313676 /nfs/dbraw/zinc/31/36/76/504313676.db2.gz PEUUPIWZFXDISN-LZQZEXGQSA-N 2 0 363.933 3.246 20 0 FGADRP CC1CC[NH+](CCc2cccc(NC(=O)N[C@H]3CC[NH2+]C34CCC4)c2)CC1 ZINC000528685578 504331151 /nfs/dbraw/zinc/33/11/51/504331151.db2.gz NMYCYTBTHOSYOH-FQEVSTJZSA-N 2 0 370.541 3.367 20 0 FGADRP CC[NH+](CC)[C@H](C(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000535147113 504355052 /nfs/dbraw/zinc/35/50/52/504355052.db2.gz IBFLGQPVDBVPLW-SFTDATJTSA-N 2 0 357.542 3.260 20 0 FGADRP Cc1cc(C[NH2+]Cc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)c(C)s1 ZINC000531611876 504362897 /nfs/dbraw/zinc/36/28/97/504362897.db2.gz CFHSEALUQALHOE-LJQANCHMSA-N 2 0 371.550 3.352 20 0 FGADRP C[N@H+](CCNC(=O)[C@@H]1CCC[NH+](Cc2ccccc2)C1)C1CCCCC1 ZINC000519996318 504396601 /nfs/dbraw/zinc/39/66/01/504396601.db2.gz YYPJAFZACMVKCN-HXUWFJFHSA-N 2 0 357.542 3.279 20 0 FGADRP C[C@@H]1C[C@@H](N(C)C(=O)[C@@]23CCC[C@@H]2C[NH+](Cc2ccccc2)C3)CC[N@@H+]1C ZINC000542185196 504397279 /nfs/dbraw/zinc/39/72/79/504397279.db2.gz IQFXQFVTRBOXCU-WRHDZBKDSA-N 2 0 369.553 3.230 20 0 FGADRP CC(C)[C@@H](O)C(C)(C)C[NH2+]Cc1c(Cl)cccc1N1CC[NH+](C)CC1 ZINC000538879376 504402941 /nfs/dbraw/zinc/40/29/41/504402941.db2.gz QNSLQAUTVKUZLJ-LJQANCHMSA-N 2 0 367.965 3.225 20 0 FGADRP C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)CC(=O)NC1CCCCCC1 ZINC000538946162 504425962 /nfs/dbraw/zinc/42/59/62/504425962.db2.gz YLONQSWAPBIRNT-UHFFFAOYSA-N 2 0 372.557 3.459 20 0 FGADRP C[N@H+](CCNC(=O)[C@@H]1CCC[NH+](Cc2ccccc2)C1)Cc1ccccc1 ZINC000520229854 504441532 /nfs/dbraw/zinc/44/15/32/504441532.db2.gz SLUGJYAEYARIIV-JOCHJYFZSA-N 2 0 365.521 3.147 20 0 FGADRP CC[C@@H](Cc1ccc(C)cc1)[NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000539071330 504464715 /nfs/dbraw/zinc/46/47/15/504464715.db2.gz RTPHUWNFDLTJFT-QFIPXVFZSA-N 2 0 367.537 3.397 20 0 FGADRP C[C@@H]1CCC[C@@H](C)C1[NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000539073143 504464785 /nfs/dbraw/zinc/46/47/85/504464785.db2.gz IIPGERQFRDTLEU-QZTJIDSGSA-N 2 0 357.542 3.427 20 0 FGADRP CC1(C)CCCC[C@@H]1[NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000520365842 504479277 /nfs/dbraw/zinc/47/92/77/504479277.db2.gz RWGAWSNLEDEYOH-FQEVSTJZSA-N 2 0 357.542 3.442 20 0 FGADRP Cc1cc(Br)ccc1C[NH2+]CC1(O)CC[NH+](C(C)C)CC1 ZINC000532119980 504540981 /nfs/dbraw/zinc/54/09/81/504540981.db2.gz SIIOGPZNWLNTFH-UHFFFAOYSA-N 2 0 355.320 3.082 20 0 FGADRP Cc1cccc(C)c1OCCC[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000542592443 504548493 /nfs/dbraw/zinc/54/84/93/504548493.db2.gz XFXVDVKNDOAHBL-UHFFFAOYSA-N 2 0 373.585 3.422 20 0 FGADRP C[NH+]1CCN(C[C@H]([NH2+][C@@H]2CCc3cc(F)ccc32)c2ccccc2)CC1 ZINC000532221180 504578054 /nfs/dbraw/zinc/57/80/54/504578054.db2.gz XPLKCCXKOBAEKO-YADHBBJMSA-N 2 0 353.485 3.391 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)CCN(C)c2cc[nH+]cc2)CC1 ZINC000542786170 504608759 /nfs/dbraw/zinc/60/87/59/504608759.db2.gz FIJFNFDNKMKHFH-LJQANCHMSA-N 2 0 372.557 3.411 20 0 FGADRP CN(CCC(=O)Nc1cccc(CC[NH+]2CCCC2)c1)c1cc[nH+]cc1 ZINC000542783715 504609558 /nfs/dbraw/zinc/60/95/58/504609558.db2.gz ATYYBRFDDPZKLI-UHFFFAOYSA-N 2 0 352.482 3.185 20 0 FGADRP C[C@H](NC(=O)N1CCC[N@@H+](C(C)(C)C)CC1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000542823087 504625986 /nfs/dbraw/zinc/62/59/86/504625986.db2.gz IWPKNMSSLVHNRC-ZWKOTPCHSA-N 2 0 364.578 3.155 20 0 FGADRP CCN(C(=O)N[C@@H]1CC[NH2+]C12CCC2)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000529360033 504645654 /nfs/dbraw/zinc/64/56/54/504645654.db2.gz SCERPFHBTPVLMJ-YZGWKJHDSA-N 2 0 370.541 3.138 20 0 FGADRP C[C@H](CCN1C(=O)c2ccccc2C1=O)[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C ZINC000545954113 504653042 /nfs/dbraw/zinc/65/30/42/504653042.db2.gz LOELGVCCHVRUTI-QAPCUYQASA-N 2 0 359.514 3.017 20 0 FGADRP C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]CCN1CCC[C@@H](C)C1 ZINC000532458342 504658788 /nfs/dbraw/zinc/65/87/88/504658788.db2.gz JTLDIPIQZHQCGG-IAGOWNOFSA-N 2 0 365.949 3.399 20 0 FGADRP CCN(CC)[C@@H](C[NH2+][C@H](C)CC(=O)NC)c1ccc(C(F)(F)F)cc1 ZINC000532462982 504659746 /nfs/dbraw/zinc/65/97/46/504659746.db2.gz QZTWEUIPRXIHBH-CJNGLKHVSA-N 2 0 359.436 3.203 20 0 FGADRP C[C@@H](Cc1cccc(C(F)(F)F)c1)[NH2+]CCCC[NH+]1CCN(C)CC1 ZINC000545980784 504664439 /nfs/dbraw/zinc/66/44/39/504664439.db2.gz HELLOHXQXOWRQW-INIZCTEOSA-N 2 0 357.464 3.254 20 0 FGADRP CCC[NH+]1CCN(c2ccccc2C[N@@H+]2CC[C@@H]([C@@H]3CCOC3)C2)CC1 ZINC000539852511 504718450 /nfs/dbraw/zinc/71/84/50/504718450.db2.gz TVPVKAYHTHSVPZ-TZIWHRDSSA-N 2 0 357.542 3.077 20 0 FGADRP C[C@H]1[C@H](c2ccccc2)C[C@@H]1[NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000543097621 504724105 /nfs/dbraw/zinc/72/41/05/504724105.db2.gz RRDWDSMADHDEPN-WTOYTKOKSA-N 2 0 365.521 3.260 20 0 FGADRP CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000565037413 504777546 /nfs/dbraw/zinc/77/75/46/504777546.db2.gz RMZXPQKPGYPKAH-GIVPXCGWSA-N 2 0 370.541 3.067 20 0 FGADRP CC[NH+]1CCN(Cc2ccc(C[NH2+]C3CCC4(CCCO4)CC3)cc2)CC1 ZINC000562302945 504778075 /nfs/dbraw/zinc/77/80/75/504778075.db2.gz BOGQKSFGGJUSSD-UHFFFAOYSA-N 2 0 371.569 3.406 20 0 FGADRP CC(C)Oc1ccc([C@H](C)[NH2+][C@@H](C)CN2CC[NH+](C)CC2)cc1Cl ZINC000565121154 504800690 /nfs/dbraw/zinc/80/06/90/504800690.db2.gz RFZUNWQOHNYZLZ-HOTGVXAUSA-N 2 0 353.938 3.414 20 0 FGADRP CCc1oc(C[NH2+]CCCC[NH+]2C[C@@H](C)C[C@H](C)C2)cc1C(=O)OC ZINC000549403719 504812024 /nfs/dbraw/zinc/81/20/24/504812024.db2.gz NLBPNSDHNZKXJR-HOTGVXAUSA-N 2 0 350.503 3.476 20 0 FGADRP CCC[C@H](C)C(=O)NCC[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000556202819 504819624 /nfs/dbraw/zinc/81/96/24/504819624.db2.gz DAHPAWSHHLOINU-MJUUVYJYSA-N 2 0 357.542 3.039 20 0 FGADRP c1ccc(C[N@H+]2C[C@H](C[NH2+]C3CCSCC3)C3(C2)CCOCC3)cc1 ZINC000559326075 504835357 /nfs/dbraw/zinc/83/53/57/504835357.db2.gz BBASCWDGYMWCJP-IBGZPJMESA-N 2 0 360.567 3.400 20 0 FGADRP CC[C@H](NC(=O)C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1)c1ccc(Cl)cc1 ZINC000565303932 504849469 /nfs/dbraw/zinc/84/94/69/504849469.db2.gz XITLVVAPOFBFGE-LNLFQRSKSA-N 2 0 363.933 3.229 20 0 FGADRP C[C@H](NC(=O)[C@H](C)[NH+]1CCC(CC[NH3+])CC1)c1ccc2c(c1)CCCC2 ZINC000565428896 504885126 /nfs/dbraw/zinc/88/51/26/504885126.db2.gz XYCRUHLTFGBZBS-IRXDYDNUSA-N 2 0 357.542 3.192 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000553328963 504885370 /nfs/dbraw/zinc/88/53/70/504885370.db2.gz PFYDYGBOSIQVPJ-VWPQPMDRSA-N 2 0 371.569 3.383 20 0 FGADRP Clc1ccc([C@@H]2CCC[C@H]2[NH2+]Cc2nnc(C3CC[NH2+]CC3)[nH]2)cc1 ZINC000565476542 504899206 /nfs/dbraw/zinc/89/92/06/504899206.db2.gz RPBXOQSEFDQPLJ-DLBZAZTESA-N 2 0 359.905 3.351 20 0 FGADRP CC(C)(C)[C@H]([NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1)c1cccc(F)c1 ZINC000553394503 504903166 /nfs/dbraw/zinc/90/31/66/504903166.db2.gz PEWCIYHNQOVBDA-HXUWFJFHSA-N 2 0 361.505 3.246 20 0 FGADRP Oc1cccc2c1CCC[C@@H]2[NH2+]CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000559892077 504945191 /nfs/dbraw/zinc/94/51/91/504945191.db2.gz ADVZIQSAZFRJKR-QFIPXVFZSA-N 2 0 365.521 3.177 20 0 FGADRP Cc1cccc(CC[N@@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)n1 ZINC000563045985 505032447 /nfs/dbraw/zinc/03/24/47/505032447.db2.gz UCZXZKGGZPHNHM-UHFFFAOYSA-N 2 0 358.574 3.061 20 0 FGADRP C[C@H](CC(=O)N1CCC[N@H+](CCCc2ccccc2)CC1)[C@H]1CCC[NH2+]C1 ZINC000563046632 505032515 /nfs/dbraw/zinc/03/25/15/505032515.db2.gz CDBJQLSIYQJFCF-IRLDBZIGSA-N 2 0 371.569 3.179 20 0 FGADRP O=C(C[N@@H+]1CC[C@H](CC2CC2)C1)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000550409620 505036565 /nfs/dbraw/zinc/03/65/65/505036565.db2.gz RNVXEADPDGWHLQ-LJQANCHMSA-N 2 0 373.566 3.296 20 0 FGADRP C[C@H]1[C@H](NC(=O)Nc2cccc3c2CC[NH2+]C3)CC[N@@H+]1Cc1ccccc1 ZINC000557028826 505048066 /nfs/dbraw/zinc/04/80/66/505048066.db2.gz SHKZXJUPSNZRTK-OXJNMPFZSA-N 2 0 364.493 3.117 20 0 FGADRP COc1ccc(C[N@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)[C@H](C)C2CC2)cc1 ZINC000563154679 505062042 /nfs/dbraw/zinc/06/20/42/505062042.db2.gz TVMZBPMHQJMNTA-VSDWSMLSSA-N 2 0 368.521 3.227 20 0 FGADRP COc1ccc(C[NH+](C)C)cc1NC(=O)C[C@H](c1ccccc1)[NH+](C)C ZINC000566057141 505067556 /nfs/dbraw/zinc/06/75/56/505067556.db2.gz PUJPXMFWQGZRIO-LJQANCHMSA-N 2 0 355.482 3.388 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)C[C@@H]([NH3+])Cc2ccccc2)CC1 ZINC000563207187 505075747 /nfs/dbraw/zinc/07/57/47/505075747.db2.gz WBQXWTRAIBMTCE-KNQAVFIVSA-N 2 0 371.569 3.450 20 0 FGADRP [NH3+][C@@H]1C[C@@H]([NH2+]C2CCN(C(=O)NC3CCCCC3)CC2)c2ccccc21 ZINC000566090751 505077432 /nfs/dbraw/zinc/07/74/32/505077432.db2.gz KNQJNNKNDUYFCJ-WOJBJXKFSA-N 2 0 356.514 3.228 20 0 FGADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)N1CCC2(CC[NH2+]CC2)CC1)c1ccccc1 ZINC000557193771 505090242 /nfs/dbraw/zinc/09/02/42/505090242.db2.gz SBUVTNMZLLUVHX-GOSISDBHSA-N 2 0 372.557 3.291 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)[C@@H]1CC[NH2+][C@@H]1C)c1ccc(C(F)(F)F)cc1 ZINC000566163458 505101893 /nfs/dbraw/zinc/10/18/93/505101893.db2.gz GMWYXZVPTCGMNJ-KBRIMQKVSA-N 2 0 371.447 3.203 20 0 FGADRP Cc1ccc(-c2cc(C[NH+]3CCC([C@@H]4OCCC[C@@H]4[NH3+])CC3)on2)cc1 ZINC000557338850 505111311 /nfs/dbraw/zinc/11/13/11/505111311.db2.gz GBXFSFYQBPJCEW-FPOVZHCZSA-N 2 0 355.482 3.368 20 0 FGADRP C[N@@H+]1CC[C@H]([NH2+]C[C@H](O)COc2cccc(Cl)c2Cl)[C@H]2CCC[C@@H]21 ZINC000560530252 505116397 /nfs/dbraw/zinc/11/63/97/505116397.db2.gz PGQIAXOUHYTHJY-XRGAULLZSA-N 2 0 373.324 3.196 20 0 FGADRP FC(F)Cn1cc(CN2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)cn1 ZINC000560533577 505117436 /nfs/dbraw/zinc/11/74/36/505117436.db2.gz QQQHLJSBYNUBDZ-RBUKOAKNSA-N 2 0 360.452 3.102 20 0 FGADRP CCc1ccc([C@H](CNC(=O)N2C[C@H]([NH+]3CCCC3)C[C@H]2C)[NH+](C)C)cc1 ZINC000554217068 505117657 /nfs/dbraw/zinc/11/76/57/505117657.db2.gz UYYDYUNQVKVFOO-UIFIKXQLSA-N 2 0 372.557 3.120 20 0 FGADRP Cc1ccc(-c2noc(CCC[N@@H+]3CC[C@]4(C3)CCC[NH2+]C4)n2)cc1F ZINC000566242602 505121436 /nfs/dbraw/zinc/12/14/36/505121436.db2.gz CXTSZMDGOVDCHN-HXUWFJFHSA-N 2 0 358.461 3.192 20 0 FGADRP C[C@H](c1ccc(Cl)cc1)N(C)C(=O)C[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000566245354 505121499 /nfs/dbraw/zinc/12/14/99/505121499.db2.gz OEWBROHIMHHFCK-BPQIPLTHSA-N 2 0 363.933 3.181 20 0 FGADRP O=C(C[NH2+][C@@H]1CC=C(c2ccc(F)cc2)CC1)NCC[NH+]1CCCCCC1 ZINC000560547361 505122007 /nfs/dbraw/zinc/12/20/07/505122007.db2.gz SJNZWSMBSJRFOZ-OAQYLSRUSA-N 2 0 373.516 3.343 20 0 FGADRP C[N@@H+]1CC[C@H]([NH2+]CCCc2nc(-c3ccc(F)cc3)no2)[C@H]2CCC[C@H]21 ZINC000560548166 505122549 /nfs/dbraw/zinc/12/25/49/505122549.db2.gz AIJFTHNHXIANSX-FGTMMUONSA-N 2 0 358.461 3.271 20 0 FGADRP CC[NH+](CC)CCOC1CC[NH+](C[C@H](O)Cc2cccc(Cl)c2)CC1 ZINC000554239013 505123057 /nfs/dbraw/zinc/12/30/57/505123057.db2.gz ZGXGNZFQOUALJL-LJQANCHMSA-N 2 0 368.949 3.066 20 0 FGADRP Cc1ccccc1[C@H]([C@H](C)NC(=O)NCC1([NH+](C)C)CCCC1)[NH+](C)C ZINC000554255259 505126360 /nfs/dbraw/zinc/12/63/60/505126360.db2.gz RBDXTFXTVIMHHL-HKUYNNGSSA-N 2 0 360.546 3.160 20 0 FGADRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000557563432 505168791 /nfs/dbraw/zinc/16/87/91/505168791.db2.gz MUCOCFCKHIZUKB-QUCCMNQESA-N 2 0 357.542 3.135 20 0 FGADRP C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)NC2(C)CC[NH2+]CC2)C1 ZINC000563545552 505172749 /nfs/dbraw/zinc/17/27/49/505172749.db2.gz BDKKGZJJWDLXOM-ROUUACIJSA-N 2 0 372.557 3.106 20 0 FGADRP C[C@@H]1CC[C@@H]([NH2+]CCCN2CCc3ccccc3C2)[C@H](n2cncn2)C1 ZINC000551268106 505189179 /nfs/dbraw/zinc/18/91/79/505189179.db2.gz ZTLFIICZGKVRHE-DUXKGJEZSA-N 2 0 353.514 3.046 20 0 FGADRP C[C@H]([NH2+][C@H]1CCN(CC(F)(F)F)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000554549629 505204352 /nfs/dbraw/zinc/20/43/52/505204352.db2.gz FACCCIHTLNBWAQ-SZMVWBNQSA-N 2 0 355.448 3.123 20 0 FGADRP C[C@H]1C[C@@H](NC(=O)NCc2ccccc2C[N@H+](C)C2CCCCC2)CC[NH2+]1 ZINC000563690894 505213240 /nfs/dbraw/zinc/21/32/40/505213240.db2.gz DQMUFXKAYSJGQZ-PXNSSMCTSA-N 2 0 372.557 3.391 20 0 FGADRP O=C(NC[C@H]1CCC[N@@H+]1C1CCCCC1)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000561047842 505237056 /nfs/dbraw/zinc/23/70/56/505237056.db2.gz VQJQXJYYUJYTSA-HXUWFJFHSA-N 2 0 356.514 3.251 20 0 FGADRP COc1cc(C[NH2+]CC2(SC)CC[NH+](C)CC2)ccc1OC(C)C ZINC000563783442 505237277 /nfs/dbraw/zinc/23/72/77/505237277.db2.gz XZUMZYOBQKGPGI-UHFFFAOYSA-N 2 0 352.544 3.399 20 0 FGADRP COc1cc(C[NH2+][C@H](C)C[C@@H](C)[NH3+])cc(Br)c1OC(F)F ZINC000563810301 505245606 /nfs/dbraw/zinc/24/56/06/505245606.db2.gz FBDVMRPZNVSUQY-RKDXNWHRSA-N 2 0 367.234 3.275 20 0 FGADRP CC1(C)[C@H]([NH2+]C2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)C[C@@H]1Oc1ccccc1 ZINC000551533757 505245699 /nfs/dbraw/zinc/24/56/99/505245699.db2.gz PGELDWJDSYKBNG-MHTWAQMVSA-N 2 0 358.526 3.200 20 0 FGADRP C[C@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2)[C@@]1(C)CCCO1 ZINC000566870584 505296423 /nfs/dbraw/zinc/29/64/23/505296423.db2.gz ZTFBSBJWWCDUMD-KSEOMHKRSA-N 2 0 372.553 3.462 20 0 FGADRP COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+]Cc2ccnc(OCC[NH+](C)C)c2)cc1 ZINC000551789403 505307691 /nfs/dbraw/zinc/30/76/91/505307691.db2.gz PVJSQTUZBMZCPQ-ZLGUVYLKSA-N 2 0 369.509 3.312 20 0 FGADRP O[C@H](C[NH2+][C@@H]1CCC[C@@H]1c1cccc(C(F)(F)F)c1)C[NH+]1CCCC1 ZINC000551789829 505307789 /nfs/dbraw/zinc/30/77/89/505307789.db2.gz SGQSIYIQFFRQAD-KZNAEPCWSA-N 2 0 356.432 3.388 20 0 FGADRP C[C@H]([NH2+]C[C@@H](O)Cc1cccc(Cl)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000558116809 505311231 /nfs/dbraw/zinc/31/12/31/505311231.db2.gz LFWAUPPLEWCTNK-VPWXQRGCSA-N 2 0 350.934 3.486 20 0 FGADRP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@@H](C(C)(C)C)C2)CC1 ZINC000564156567 505341068 /nfs/dbraw/zinc/34/10/68/505341068.db2.gz ISCMYVNHFHIOEE-HXUWFJFHSA-N 2 0 371.569 3.444 20 0 FGADRP CC[NH+]1CCC(CNC(=O)N[C@@H](C[N@H+](C)Cc2ccccc2)C(C)C)CC1 ZINC000567042030 505346685 /nfs/dbraw/zinc/34/66/85/505346685.db2.gz YINAMTPOZXBFFX-NRFANRHFSA-N 2 0 374.573 3.174 20 0 FGADRP Cc1cc2ncn(C[C@H](O)C[NH2+][C@@H]3c4ccccc4O[C@@H]3C)c2cc1C ZINC000564203656 505352086 /nfs/dbraw/zinc/35/20/86/505352086.db2.gz SPHJGYQLHCBZLD-ZOCZFRKYSA-N 2 0 351.450 3.126 20 0 FGADRP CCN(CC[NH+]1CCCCCC1)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000558364019 505368630 /nfs/dbraw/zinc/36/86/30/505368630.db2.gz KREFYXGMUDJCRX-OAQYLSRUSA-N 2 0 372.557 3.168 20 0 FGADRP C[N@H+](C[C@H](O)COc1ccc2ccccc2c1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000552021944 505372711 /nfs/dbraw/zinc/37/27/11/505372711.db2.gz LHCWZYPAMSICLA-JKWVGCSGSA-N 2 0 354.494 3.137 20 0 FGADRP COc1cccc(O[C@H](C)C[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000567159386 505381220 /nfs/dbraw/zinc/38/12/20/505381220.db2.gz UHTSFDWEIWBWJQ-BSLALVQMSA-N 2 0 368.477 3.308 20 0 FGADRP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CSCCN2Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000552053979 505383183 /nfs/dbraw/zinc/38/31/83/505383183.db2.gz DMJFXZJOBZTTLU-CGXNFDGLSA-N 2 0 359.583 3.066 20 0 FGADRP C[C@@H](NC(=O)Nc1cccc2c1CC[NH2+]C2)[C@@H](c1ccccc1)[NH+](C)C ZINC000567244477 505406797 /nfs/dbraw/zinc/40/67/97/505406797.db2.gz PKMYTMKKFNOIOH-QRWLVFNGSA-N 2 0 352.482 3.145 20 0 FGADRP CCC(CC)(CNC(=O)NCC1CC[NH2+]CC1)[NH2+][C@H](C)c1ccccc1 ZINC000567362255 505442063 /nfs/dbraw/zinc/44/20/63/505442063.db2.gz YEPLWGIGOLSGJT-QGZVFWFLSA-N 2 0 360.546 3.195 20 0 FGADRP COc1nc(C)cc(C)c1C[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000561839696 505447349 /nfs/dbraw/zinc/44/73/49/505447349.db2.gz FARAAGDDNKOPFN-HDICACEKSA-N 2 0 361.530 3.028 20 0 FGADRP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)NCc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000564569537 505456051 /nfs/dbraw/zinc/45/60/51/505456051.db2.gz ZJZKMIKPRQZVBL-LJQANCHMSA-N 2 0 374.573 3.446 20 0 FGADRP C[N@H+](CCOc1cccc(C[NH2+][C@@H]2CCC[C@H]3C[C@H]32)c1)C1CCOCC1 ZINC000558699626 505467414 /nfs/dbraw/zinc/46/74/14/505467414.db2.gz XWSIOFYYWWVFRZ-VLCRHTCISA-N 2 0 358.526 3.454 20 0 FGADRP CC(C)[NH2+]CCC(=O)NC[C@H](c1ccccc1)N1CCc2sccc2C1 ZINC000561948635 505475381 /nfs/dbraw/zinc/47/53/81/505475381.db2.gz IWPKAMXJVOOXBQ-LJQANCHMSA-N 2 0 371.550 3.352 20 0 FGADRP CC[NH+](CC)CCCNC(=O)C1CC[NH+]([C@H](C)Cc2ccsc2)CC1 ZINC000561971272 505481564 /nfs/dbraw/zinc/48/15/64/505481564.db2.gz KPASSMWVIXKEPR-QGZVFWFLSA-N 2 0 365.587 3.239 20 0 FGADRP O[C@H](C[NH2+]CCC[NH+]1CCCC1)Cn1c2ccccc2c2ccccc21 ZINC000552437547 505492030 /nfs/dbraw/zinc/49/20/30/505492030.db2.gz JPLHWWKYUNKYCN-GOSISDBHSA-N 2 0 351.494 3.231 20 0 FGADRP CC[C@H]1[NH2+]CC[C@@H]1C(=O)NCc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000567608920 505513329 /nfs/dbraw/zinc/51/33/29/505513329.db2.gz URWIDIHDQSROQN-LEWJYISDSA-N 2 0 357.542 3.455 20 0 FGADRP O[C@@H](C[NH2+]CC1CC[NH+](C2CC2)CC1)COc1c(Cl)cccc1Cl ZINC000564861666 505541832 /nfs/dbraw/zinc/54/18/32/505541832.db2.gz BCKZRWNPXOYTMU-HNNXBMFYSA-N 2 0 373.324 3.197 20 0 FGADRP CCC[N@H+](CC)C[C@@H](C)NC(=O)N[C@H]1CC[NH+](Cc2ccccc2)C[C@@H]1C ZINC000562241064 505549741 /nfs/dbraw/zinc/54/97/41/505549741.db2.gz CZAZMNLXPKUFPG-ZVDOUQERSA-N 2 0 374.573 3.317 20 0 FGADRP C[C@@H](C[NH+]1CCC[C@@H]1[C@@H]1CCCOC1)C[N@@H+]1CCC[C@@H]1[C@H]1CCCOC1 ZINC000567790154 505563350 /nfs/dbraw/zinc/56/33/50/505563350.db2.gz QEEZJJOTWQOQGK-PVIWCNJMSA-N 2 0 364.574 3.405 20 0 FGADRP C[C@]1([NH3+])CCCC[C@@H]1C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000564993312 505566121 /nfs/dbraw/zinc/56/61/21/505566121.db2.gz SHQJHTKSGAMLOL-KGSLCBSSSA-N 2 0 369.553 3.407 20 0 FGADRP c1ccc(CN2CC[C@@H]([NH2+]CCCOC[C@H]3CCOC3)CC23CC3)cc1 ZINC000567851338 505568374 /nfs/dbraw/zinc/56/83/74/505568374.db2.gz ALYXVUVHQWJTTJ-NHCUHLMSSA-N 2 0 358.526 3.216 20 0 FGADRP C[C@@H](c1cc2ccccc2o1)N(C)C(=O)CN1CC[C@]2(C1)CCC[NH2+]C2 ZINC000567889747 505570034 /nfs/dbraw/zinc/57/00/34/505570034.db2.gz QJYSUIIGAZWDTN-HRAATJIYSA-N 2 0 355.482 3.028 20 0 FGADRP CC[NH+]1CCC(C[NH2+]Cc2ccc(OC)cc2OCc2cccnc2)CC1 ZINC000582764451 506405579 /nfs/dbraw/zinc/40/55/79/506405579.db2.gz YUWXDCVNHNBLIL-UHFFFAOYSA-N 2 0 369.509 3.491 20 0 FGADRP CCCC[N@H+](C)CC1CC[NH+](Cc2cc3ccccc3n(C)c2=O)CC1 ZINC000582763678 506405673 /nfs/dbraw/zinc/40/56/73/506405673.db2.gz WXYRHNRGIHIGBR-UHFFFAOYSA-N 2 0 355.526 3.482 20 0 FGADRP O=C(Nc1cnn(-c2cc[nH+]cc2)c1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000589077098 506430148 /nfs/dbraw/zinc/43/01/48/506430148.db2.gz OZHLTRSXNDZANO-GOSISDBHSA-N 2 0 361.449 3.118 20 0 FGADRP [NH3+]C[C@H]1CN(Cc2csc(CCc3ccccc3)n2)CC12CCOCC2 ZINC000582849781 506454084 /nfs/dbraw/zinc/45/40/84/506454084.db2.gz YKJAQXNFEPIOSD-SFHVURJKSA-N 2 0 371.550 3.116 20 0 FGADRP CC(C)[C@@H](CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C[NH+](C)C)[NH+](C)C ZINC000589476289 506561173 /nfs/dbraw/zinc/56/11/73/506561173.db2.gz MTXJIKGKTJSCFP-QGZVFWFLSA-N 2 0 374.356 3.470 20 0 FGADRP C[C@@H]1C[C@H](N(C)C(=O)c2ccccc2CC[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000583091208 506585097 /nfs/dbraw/zinc/58/50/97/506585097.db2.gz LJNCFBCJTWEYAB-WIYYLYMNSA-N 2 0 365.521 3.313 20 0 FGADRP O=C(Nc1ccc2c(c1)C[NH2+]C2)[C@H](c1ccccc1)N1CCSCC1 ZINC000583143007 506613022 /nfs/dbraw/zinc/61/30/22/506613022.db2.gz UWHRAEYLJTYUME-IBGZPJMESA-N 2 0 353.491 3.018 20 0 FGADRP CCOC(=O)C(C)(C)CCC[C@H](C)[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000593604422 506700286 /nfs/dbraw/zinc/70/02/86/506700286.db2.gz KJESXOOEXURRIO-UHOSZYNNSA-N 2 0 368.562 3.102 20 0 FGADRP CCN(CC(=O)Nc1cccc(C(C)=O)c1)Cc1ccc(C[NH+](C)C)cc1 ZINC000589999399 506702341 /nfs/dbraw/zinc/70/23/41/506702341.db2.gz FYRFLCISVHFLBP-UHFFFAOYSA-N 2 0 367.493 3.411 20 0 FGADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)NC[C@@H]1CCC[NH+]1Cc1ccccc1 ZINC000604080017 506706408 /nfs/dbraw/zinc/70/64/08/506706408.db2.gz HBZMANYOVPJQLS-SFTDATJTSA-N 2 0 372.557 3.215 20 0 FGADRP O=C(N[C@H](C[NH+]1CCCCC1)c1ccccc1)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000604173078 506735757 /nfs/dbraw/zinc/73/57/57/506735757.db2.gz HDTLDXDZDUIEDW-QHAWAJNXSA-N 2 0 370.541 3.140 20 0 FGADRP CN(C(=O)N[C@H](C[NH+]1CCCCC1)c1ccccc1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000604201706 506749093 /nfs/dbraw/zinc/74/90/93/506749093.db2.gz GYKGJFXZJVCLIK-NHCUHLMSSA-N 2 0 370.541 3.092 20 0 FGADRP CC1CC[NH+](Cc2cccc(CNC(=O)NCCC[NH+]3CCCC3)c2)CC1 ZINC000590343800 506800302 /nfs/dbraw/zinc/80/03/02/506800302.db2.gz QHOZNAPAMFJAGP-UHFFFAOYSA-N 2 0 372.557 3.204 20 0 FGADRP C[NH+](C)CCN(C(=O)c1ccc(C[NH+]2CCCC2)cc1)c1ccccc1 ZINC000583505704 506815525 /nfs/dbraw/zinc/81/55/25/506815525.db2.gz QBLHYGRFHDQDRK-UHFFFAOYSA-N 2 0 351.494 3.491 20 0 FGADRP C[C@H]1[C@H](NC(=O)N2CCC[NH+](C(C)(C)C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000583583937 506862494 /nfs/dbraw/zinc/86/24/94/506862494.db2.gz LSLAFUQMWRCDMH-AZUAARDMSA-N 2 0 372.557 3.165 20 0 FGADRP C[C@@H]([NH2+]CC1CC[NH2+]CC1)c1ccc(OC[C@@H]2CCCCO2)c(F)c1 ZINC000583687515 506917382 /nfs/dbraw/zinc/91/73/82/506917382.db2.gz KMURZJSVPVVNMZ-QAPCUYQASA-N 2 0 350.478 3.424 20 0 FGADRP C[NH+](C)CC[C@H](NC(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C)C(C)(C)C ZINC000604788229 506943061 /nfs/dbraw/zinc/94/30/61/506943061.db2.gz NMACIIUARKTPHW-MSOLQXFVSA-N 2 0 366.525 3.094 20 0 FGADRP C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)NC[C@@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000584042150 507118949 /nfs/dbraw/zinc/11/89/49/507118949.db2.gz DQFPGWFDSKBDRI-DBXWQHBBSA-N 2 0 372.557 3.235 20 0 FGADRP CC[NH+](CC)CC(=O)NC[C@@H]1CCCCN1Cc1cccc(Cl)c1 ZINC000597867218 507142737 /nfs/dbraw/zinc/14/27/37/507142737.db2.gz DXWYBIBBNHMGFM-SFHVURJKSA-N 2 0 351.922 3.153 20 0 FGADRP CC[NH+](CC)CCOc1ccc(NC(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000605340120 507152882 /nfs/dbraw/zinc/15/28/82/507152882.db2.gz MHXDUAYNMQJGAH-RBUKOAKNSA-N 2 0 374.529 3.156 20 0 FGADRP COC(=O)c1cc(C[NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)c(C)o1 ZINC000594607741 507209316 /nfs/dbraw/zinc/20/93/16/507209316.db2.gz DWXJBXXIJOHGAY-UHFFFAOYSA-N 2 0 372.465 3.139 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)N(C)CC[NH+]1CCCC1 ZINC000591457604 507259037 /nfs/dbraw/zinc/25/90/37/507259037.db2.gz BBEWITHXYAMQNI-LJQANCHMSA-N 2 0 373.541 3.108 20 0 FGADRP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)C1 ZINC000591538419 507281555 /nfs/dbraw/zinc/28/15/55/507281555.db2.gz RDRNEMBBZHUVOM-PZJWPPBQSA-N 2 0 372.557 3.243 20 0 FGADRP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)NCCCC[NH+]2CCCC[C@@H]2C)C1 ZINC000591559429 507292177 /nfs/dbraw/zinc/29/21/77/507292177.db2.gz NGGUYVFQIUUPFK-OALUTQOASA-N 2 0 352.567 3.061 20 0 FGADRP CC(C)C[N@@H+]1CC[C@H](C[NH2+]C[C@H](O)Cc2ccc(C(F)(F)F)cc2)C1 ZINC000584346153 507293794 /nfs/dbraw/zinc/29/37/94/507293794.db2.gz UTDHIHFHKLDYMQ-SJLPKXTDSA-N 2 0 358.448 3.176 20 0 FGADRP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000591573622 507298602 /nfs/dbraw/zinc/29/86/02/507298602.db2.gz GCUCLVIFIAPHMY-YRPNKDGESA-N 2 0 364.578 3.013 20 0 FGADRP CCC(CC)[C@@H](CNC(=O)N1CCC[C@H]([NH2+]C(C)C)C1)[NH+]1CCCC1 ZINC000601229951 507303438 /nfs/dbraw/zinc/30/34/38/507303438.db2.gz GSHSVIVEEBRFGT-RBUKOAKNSA-N 2 0 352.567 3.059 20 0 FGADRP COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000594942418 507324815 /nfs/dbraw/zinc/32/48/15/507324815.db2.gz IBUAVTMHCWFNFX-SZOCEBHJSA-N 2 0 356.510 3.074 20 0 FGADRP C[C@@H]([NH2+]Cc1[nH]nc2ccccc21)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000591713935 507337892 /nfs/dbraw/zinc/33/78/92/507337892.db2.gz WZZBGZUBEXAFQM-OAHLLOKOSA-N 2 0 367.472 3.305 20 0 FGADRP C[C@H](CSCCF)[NH2+]CCCN1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000595007475 507352708 /nfs/dbraw/zinc/35/27/08/507352708.db2.gz OECPRKLYLZSMFM-MJGOQNOKSA-N 2 0 353.551 3.046 20 0 FGADRP Cc1ccc(-c2cc(C[NH+]3CCC([C@@H]4C[C@@H]([NH3+])CCO4)CC3)on2)cc1 ZINC000584460448 507358255 /nfs/dbraw/zinc/35/82/55/507358255.db2.gz IAYZTGDWBRTHQV-RXVVDRJESA-N 2 0 355.482 3.368 20 0 FGADRP C[C@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+]CCN1CC[C@H](C)C1 ZINC000584491724 507374552 /nfs/dbraw/zinc/37/45/52/507374552.db2.gz XWWJHZQKCTWDOY-UONOGXRCSA-N 2 0 357.420 3.354 20 0 FGADRP CCC[NH2+][C@H](C)C(=O)NC[C@H](c1ccccc1)N1CCc2sccc2C1 ZINC000584526690 507393409 /nfs/dbraw/zinc/39/34/09/507393409.db2.gz DHOBCZCGQVTPLJ-VQIMIIECSA-N 2 0 371.550 3.352 20 0 FGADRP COC(=O)COc1ccccc1[C@H](C)[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000595103666 507393594 /nfs/dbraw/zinc/39/35/94/507393594.db2.gz NXAVFXMSOXDXKU-INIZCTEOSA-N 2 0 360.498 3.011 20 0 FGADRP CCOC(=O)c1cnc2ccc(OC)cc2c1N1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000610806728 507397110 /nfs/dbraw/zinc/39/71/10/507397110.db2.gz LIUMDBPGMDCAGA-OAHLLOKOSA-N 2 0 371.481 3.387 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N[C@H](C)C1CC[NH+](C)CC1)c1ccsc1 ZINC000606638005 507461691 /nfs/dbraw/zinc/46/16/91/507461691.db2.gz NXZIOZVSGXVJSL-CRAIPNDOSA-N 2 0 366.575 3.161 20 0 FGADRP CC(C)[N@H+](C)CC1CCN(C(=O)NCCCCC[NH+]2CCCCC2)CC1 ZINC000606709422 507491311 /nfs/dbraw/zinc/49/13/11/507491311.db2.gz DYFBVNCUGCUTRS-UHFFFAOYSA-N 2 0 366.594 3.404 20 0 FGADRP CC(C)(C)OC(=O)[C@H]1CC[N@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000611274398 507598766 /nfs/dbraw/zinc/59/87/66/507598766.db2.gz UBEIAGLTHZJLOP-IBGZPJMESA-N 2 0 374.525 3.325 20 0 FGADRP c1cn([C@@H]2CCC[NH+](CCCCC[N@@H+]3CCC[C@H](n4ccnc4)C3)C2)cn1 ZINC000607151847 507633101 /nfs/dbraw/zinc/63/31/01/507633101.db2.gz SKPIHTRXLWDWSO-OYRHEFFESA-N 2 0 370.545 3.224 20 0 FGADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)[C@@H]1CCCC[NH+]1Cc1ccccc1 ZINC000607284609 507677241 /nfs/dbraw/zinc/67/72/41/507677241.db2.gz ILWHDROGGIVKID-DYXWJJEUSA-N 2 0 357.542 3.278 20 0 FGADRP O=C([C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000588101520 507762301 /nfs/dbraw/zinc/76/23/01/507762301.db2.gz CEOQEZPIINDEGO-TZIWHRDSSA-N 2 0 373.516 3.125 20 0 FGADRP C[C@@H]1CN(C(=O)[C@H](C[NH+]2CCCC2)c2ccccc2)CC[N@@H+](C2CCC2)C1 ZINC000615193027 507774024 /nfs/dbraw/zinc/77/40/24/507774024.db2.gz CYLQUAJFAWXLBU-SIKLNZKXSA-N 2 0 369.553 3.199 20 0 FGADRP Cc1cnc(NC[C@H]2CC[N@@H+](C(C)C)C2)nc1NC[C@H]1CC[NH+](C(C)C)C1 ZINC000532045711 562465112 /nfs/dbraw/zinc/46/51/12/562465112.db2.gz OLMWZFZRGHEGMB-RTBURBONSA-N 2 0 374.577 3.069 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)N1CCC(C)([NH3+])CC1 ZINC000669117897 568037422 /nfs/dbraw/zinc/03/74/22/568037422.db2.gz VCWYXVLZLZKOFI-QGZVFWFLSA-N 2 0 358.530 3.084 20 0 FGADRP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000669117919 568038259 /nfs/dbraw/zinc/03/82/59/568038259.db2.gz WWOYBJMHMNRKKA-FXAWDEMLSA-N 2 0 358.530 3.002 20 0 FGADRP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCCC2)cc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000820432074 599363116 /nfs/dbraw/zinc/36/31/16/599363116.db2.gz LZGLKVKFCBSMGG-MRXNPFEDSA-N 2 0 362.481 3.313 20 0 FGADRP CC[NH+](CC)Cc1ccc(C[NH2+]Cc2cc(-c3nn[nH]n3)cs2)cc1 ZINC000821199100 606208468 /nfs/dbraw/zinc/20/84/68/606208468.db2.gz ZDBPYDOOGZAWPB-UHFFFAOYSA-N 2 0 356.499 3.060 20 0 FGADRP C[C@H]1CCCC[N@@H+]1CCCC[NH2+][C@@H]1CCCc2cc(-c3nn[nH]n3)ccc21 ZINC000824935388 608501638 /nfs/dbraw/zinc/50/16/38/608501638.db2.gz ALDDJFLSUOOAHW-OXJNMPFZSA-N 2 0 368.529 3.488 20 0 FGADRP CC[N@H+](CCC1CC[NH+](Cc2cc(-c3nn[nH]n3)cs2)CC1)CC1CC1 ZINC000825419725 608882647 /nfs/dbraw/zinc/88/26/47/608882647.db2.gz UHCLKHNAULQBLW-UHFFFAOYSA-N 2 0 374.558 3.262 20 0 FGADRP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824532593 609350037 /nfs/dbraw/zinc/35/00/37/609350037.db2.gz VQRPMYHSEBKWRO-DZKIICNBSA-N 2 0 372.492 3.309 20 0 FGADRP C[C@@H]([NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000824529147 609350260 /nfs/dbraw/zinc/35/02/60/609350260.db2.gz FEEDIRKUAZUDSQ-DAYGRLMNSA-N 2 0 354.502 3.170 20 0 FGADRP C[C@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)c1ccc(Br)s1 ZINC000038002130 695755612 /nfs/dbraw/zinc/75/56/12/695755612.db2.gz AZSVWTIPGXZTAH-LBPRGKRZSA-N 2 0 360.365 3.187 20 0 FGADRP C[C@](O)(C[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1)c1ccsc1 ZINC000077460741 700252881 /nfs/dbraw/zinc/25/28/81/700252881.db2.gz UOVDPQNNIAGZHN-FQEVSTJZSA-N 2 0 360.523 3.220 20 0 FGADRP C[C@H]1CC([NH2+]Cc2c(Cl)cccc2N2CC[NH+](C)CC2)C[C@H](C)O1 ZINC000092416925 700435656 /nfs/dbraw/zinc/43/56/56/700435656.db2.gz BMTNKKZPSATXQX-GJZGRUSLSA-N 2 0 351.922 3.137 20 0 FGADRP CCC[NH+]1CCC([NH2+][C@H]2CCN(c3ccccc3OC(F)F)C2)CC1 ZINC000127969117 700769114 /nfs/dbraw/zinc/76/91/14/700769114.db2.gz RTDMYKOVZOFFNS-INIZCTEOSA-N 2 0 353.457 3.331 20 0 FGADRP C[NH+](C)CCN1CCC([NH2+][C@@H]2CCSc3c(Cl)cccc32)CC1 ZINC000150995930 704907850 /nfs/dbraw/zinc/90/78/50/704907850.db2.gz MDZKEDCYHVETOD-QGZVFWFLSA-N 2 0 353.963 3.493 20 0 FGADRP CN1CC[NH+](CCCC[NH2+][C@@H]2CCSc3c(Cl)cccc32)CC1 ZINC000154429471 705034511 /nfs/dbraw/zinc/03/45/11/705034511.db2.gz SOONNHNXYRBXPH-QGZVFWFLSA-N 2 0 353.963 3.494 20 0 FGADRP COc1ccc(Cl)cc1N1CC[C@@H]([NH2+][C@@H](C)C2CC[NH+](C)CC2)C1 ZINC000157984021 705169390 /nfs/dbraw/zinc/16/93/90/705169390.db2.gz ALOPHUVCTIHGFU-WMLDXEAASA-N 2 0 351.922 3.247 20 0 FGADRP C[N@H+](CC[C@H]1CCCC[NH+]1C)CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000173955378 705479254 /nfs/dbraw/zinc/47/92/54/705479254.db2.gz LEDCYBWXUKNQSC-GOSISDBHSA-N 2 0 353.551 3.440 20 0 FGADRP CC[NH+](CC)Cc1cc([C@@H](C)[NH2+]CCC2(C)OCCO2)ccc1OC ZINC000183902119 705909623 /nfs/dbraw/zinc/90/96/23/705909623.db2.gz OQEUXOQHSHMFNX-MRXNPFEDSA-N 2 0 350.503 3.341 20 0 FGADRP CC[N@@H+]1CC[C@H]([NH+](C)CC2CCN(C(=O)OC(C)(C)C)CC2)[C@@H](C)C1 ZINC000245419118 713604996 /nfs/dbraw/zinc/60/49/96/713604996.db2.gz GXMYITSHQBCNFQ-WMZOPIPTSA-N 2 0 353.551 3.296 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)[C@H](C)[C@H](C)[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000248960288 713661775 /nfs/dbraw/zinc/66/17/75/713661775.db2.gz BXQRBBOACUSFKN-DVOMOZLQSA-N 2 0 359.436 3.188 20 0 FGADRP c1sc(-c2ccc3c(c2)OCO3)nc1C[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000262090659 713718695 /nfs/dbraw/zinc/71/86/95/713718695.db2.gz UUBUGBCTOKMMPT-UHFFFAOYSA-N 2 0 357.479 3.114 20 0 FGADRP C[C@@H]([NH2+]CCC[NH+]1CCCCC1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000310474999 713798918 /nfs/dbraw/zinc/79/89/18/713798918.db2.gz CRXNNGHEXQBUJL-MSOLQXFVSA-N 2 0 353.551 3.488 20 0 FGADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CC[C@@H](C(F)(F)F)C3(CCC3)C2)CC1 ZINC000374551203 713930413 /nfs/dbraw/zinc/93/04/13/713930413.db2.gz SEZZRCZWPKNBCV-QGZVFWFLSA-N 2 0 361.496 3.457 20 0 FGADRP C[C@H]([NH2+]Cc1cc(Br)c2c(c1)OCCO2)C1CC[NH+](C)CC1 ZINC000396423751 713991314 /nfs/dbraw/zinc/99/13/14/713991314.db2.gz BIKDNBJTLRAOIT-LBPRGKRZSA-N 2 0 369.303 3.040 20 0 FGADRP C[C@H]([NH3+])c1ccc(C[NH2+]Cc2cc3c(c(Br)c2)OCO3)cc1 ZINC000414814416 714005628 /nfs/dbraw/zinc/00/56/28/714005628.db2.gz VLUFNGUKEBCUHU-NSHDSACASA-N 2 0 363.255 3.487 20 0 FGADRP Brc1ccc(C[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)c2ncccc12 ZINC000415008843 714006129 /nfs/dbraw/zinc/00/61/29/714006129.db2.gz NFGQRYCBUQSDPM-DOTOQJQBSA-N 2 0 360.299 3.475 20 0 FGADRP Brc1cc(C[NH2+]CC2CC[NH+](C3CC3)CC2)cc2c1OCO2 ZINC000446883750 714036065 /nfs/dbraw/zinc/03/60/65/714036065.db2.gz JVOVHIRFCIAXRB-UHFFFAOYSA-N 2 0 367.287 3.142 20 0 FGADRP COc1cc(F)cc(C[NH+]2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c1 ZINC000449019549 714039712 /nfs/dbraw/zinc/03/97/12/714039712.db2.gz NPBFOGWFTOKJHV-IYBDPMFKSA-N 2 0 350.478 3.156 20 0 FGADRP CC[NH+](CC)C[C@H](C)NC(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000502580444 714112641 /nfs/dbraw/zinc/11/26/41/714112641.db2.gz HXGYYRKZELFBOJ-SFHVURJKSA-N 2 0 352.567 3.014 20 0 FGADRP C(C[NH+]1CCC[C@@H]1[C@H]1CCCOC1)C[N@@H+]1CCC[C@H]1[C@@H]1CCCOC1 ZINC000521868709 714153242 /nfs/dbraw/zinc/15/32/42/714153242.db2.gz KYUSMDOLOIZUML-UJOPUZHASA-N 2 0 350.547 3.159 20 0 FGADRP C[C@H](CC[NH+](C)C)NC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000523813211 714254107 /nfs/dbraw/zinc/25/41/07/714254107.db2.gz KYFZYHBVYBEUNQ-QAPCUYQASA-N 2 0 366.937 3.116 20 0 FGADRP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCC[NH+]2CCCC[C@@H]2C)C1 ZINC000524263708 714275749 /nfs/dbraw/zinc/27/57/49/714275749.db2.gz UWWRKDJDMOOWKD-ROUUACIJSA-N 2 0 352.567 3.061 20 0 FGADRP C[C@H](C[NH2+]CCCC[NH+]1CCN(C)CC1)c1ccc(C(F)(F)F)cc1 ZINC000575027071 714455422 /nfs/dbraw/zinc/45/54/22/714455422.db2.gz OOCQSIGFLVOVIK-MRXNPFEDSA-N 2 0 357.464 3.426 20 0 FGADRP CC[NH+]1CCC(C[NH2+]Cc2ccc(OCC(F)(F)F)c(OC)c2)CC1 ZINC000575823044 714459394 /nfs/dbraw/zinc/45/93/94/714459394.db2.gz NNFRUVFZZXOTSA-UHFFFAOYSA-N 2 0 360.420 3.458 20 0 FGADRP CCCc1ccc(C[NH2+]Cc2ccc(C(=O)NCC[NH+](C)C)cc2)s1 ZINC000621337323 714982503 /nfs/dbraw/zinc/98/25/03/714982503.db2.gz VHTQNBLPTTZHQQ-UHFFFAOYSA-N 2 0 359.539 3.282 20 0 FGADRP CN(CCC[NH2+]Cc1csc(-c2ccc(Cl)cc2)n1)CC[NH+](C)C ZINC000623088413 715162605 /nfs/dbraw/zinc/16/26/05/715162605.db2.gz KZZTVXGYWHNNMQ-UHFFFAOYSA-N 2 0 366.962 3.437 20 0 FGADRP C[C@@H]([NH2+]CCc1c[nH]c2ccc(Br)cc12)[C@@H]1CCC[NH2+]C1 ZINC000643480331 718036529 /nfs/dbraw/zinc/03/65/29/718036529.db2.gz WQONVMXBNUMGED-CHWSQXEVSA-N 2 0 350.304 3.451 20 0 FGADRP Brc1ccc([C@@H]([NH2+]CC2CC[NH2+]CC2)[C@H]2CCCO2)cc1 ZINC000643497348 718037025 /nfs/dbraw/zinc/03/70/25/718037025.db2.gz IZHUJJOKZLOBHY-IAGOWNOFSA-N 2 0 353.304 3.258 20 0 FGADRP Brc1ccc([C@H]([NH2+]CC2=CC[NH2+]CC2)[C@@H]2CCCO2)cc1 ZINC000643520315 718037391 /nfs/dbraw/zinc/03/73/91/718037391.db2.gz MAQXPFGLGPRUCM-IRXDYDNUSA-N 2 0 351.288 3.179 20 0 FGADRP Cc1c([C@H](C)[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)nnn1-c1cccc(Cl)c1 ZINC000643548214 718038886 /nfs/dbraw/zinc/03/88/86/718038886.db2.gz TZCGFSQQOSVARI-NZUILWFCSA-N 2 0 359.905 3.268 20 0 FGADRP CCO[C@@H](CC[NH+](C)C)C[NH2+]Cc1ccc(Br)c(F)c1F ZINC000623443218 715337475 /nfs/dbraw/zinc/33/74/75/715337475.db2.gz UMWCIRZQJWVBEN-LBPRGKRZSA-N 2 0 365.262 3.174 20 0 FGADRP C[N@@H+]1CC[C@@H]([NH2+]C[C@H](CO)Cc2ccc(C(F)(F)F)cc2)CC1(C)C ZINC000623454518 715340041 /nfs/dbraw/zinc/34/00/41/715340041.db2.gz ILLQLTOISQBTBK-NVXWUHKLSA-N 2 0 358.448 3.319 20 0 FGADRP C[N@@H+]1CC[C@@H]([NH2+]C[C@H](CO)Cc2ccc(Br)cc2)CC1(C)C ZINC000623507696 715350729 /nfs/dbraw/zinc/35/07/29/715350729.db2.gz WNQIANSFEADJIK-NVXWUHKLSA-N 2 0 369.347 3.063 20 0 FGADRP C[N@@H+]1CC[C@@H]([NH2+]C[C@H]2CN(c3ccc(Cl)cc3)CCO2)CC1(C)C ZINC000623655314 715380223 /nfs/dbraw/zinc/38/02/23/715380223.db2.gz URZDXWUZEUJCCB-AEFFLSMTSA-N 2 0 351.922 3.008 20 0 FGADRP C[NH+]1CCN(CCC[NH2+][C@@H]2CCCC[C@@H]2Sc2ccc(F)cc2)CC1 ZINC000623854116 715415528 /nfs/dbraw/zinc/41/55/28/715415528.db2.gz SQSCYGBYALMKIN-UXHICEINSA-N 2 0 365.562 3.456 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H]1CCCN1CC(F)F ZINC000624094956 715470841 /nfs/dbraw/zinc/47/08/41/715470841.db2.gz RCCCVOVXKAWMHT-BHIYHBOVSA-N 2 0 351.485 3.216 20 0 FGADRP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)Cc2csc(C(F)(F)F)c2)CC1 ZINC000628165065 716119074 /nfs/dbraw/zinc/11/90/74/716119074.db2.gz LLDSDLSYHOLPQW-GFCCVEGCSA-N 2 0 350.450 3.292 20 0 FGADRP Fc1cc2[nH]cc(CC[NH2+][C@@H]3CCOC[C@@H]3[C@@H]3CCC[NH2+]3)c2cc1Cl ZINC000629544772 716305226 /nfs/dbraw/zinc/30/52/26/716305226.db2.gz JIFBEWZTRDSMIC-FHLIZLRMSA-N 2 0 365.880 3.250 20 0 FGADRP [NH3+]CCCOCC[NH2+]Cc1cccc(NC(=O)c2ccccc2Cl)c1 ZINC000629659511 716332018 /nfs/dbraw/zinc/33/20/18/716332018.db2.gz BGHOZRAXLDAMON-UHFFFAOYSA-N 2 0 361.873 3.047 20 0 FGADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@H](CO)c1cccc(C(F)(F)F)c1 ZINC000635006242 717139401 /nfs/dbraw/zinc/13/94/01/717139401.db2.gz XXXFAVWYHSLTOW-SJKOYZFVSA-N 2 0 353.388 3.252 20 0 FGADRP O=C(NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)[C@H]1CC[NH+]1C1CCCC1 ZINC000635454187 717172018 /nfs/dbraw/zinc/17/20/18/717172018.db2.gz UNBJOAKZKHSFHS-QFBILLFUSA-N 2 0 361.555 3.093 20 0 FGADRP C[NH+](C)C[C@@H](NC(=O)C[C@@H]1CC[N@H+](C)C1)c1ccc(Cl)c(Cl)c1 ZINC000636280625 717256397 /nfs/dbraw/zinc/25/63/97/717256397.db2.gz DYSVIAKEXSFTEA-BLLLJJGKSA-N 2 0 358.313 3.054 20 0 FGADRP C[NH+](C)CCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)CCC1C[NH2+]C1 ZINC000638278253 717429708 /nfs/dbraw/zinc/42/97/08/717429708.db2.gz ZHGUUMPJHRUVJZ-UHFFFAOYSA-N 2 0 372.340 3.273 20 0 FGADRP COc1cc(C[NH2+]CC2CC[NH+](Cc3ccc(OC)cc3)CC2)sn1 ZINC000638453629 717448311 /nfs/dbraw/zinc/44/83/11/717448311.db2.gz RTBQXGKWODJZGJ-UHFFFAOYSA-N 2 0 361.511 3.162 20 0 FGADRP [NH3+]C[C@@H]1CN(C(=O)CC[C@H]([NH3+])CC2CCCCC2)CC[C@@H]1C(F)(F)F ZINC000638558718 717464601 /nfs/dbraw/zinc/46/46/01/717464601.db2.gz RCZXBWLOXRBULV-PMPSAXMXSA-N 2 0 363.468 3.050 20 0 FGADRP C[NH+]1CCC2(CC[N@H+](C[C@@H](O)Cc3ccccc3C(F)(F)F)C2)CC1 ZINC000639758799 717599196 /nfs/dbraw/zinc/59/91/96/717599196.db2.gz WIJFVBUGDNTMJH-INIZCTEOSA-N 2 0 356.432 3.027 20 0 FGADRP C[C@H]([NH2+][C@@H]1CC[C@@](O)(C(F)(F)F)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000644553371 718123441 /nfs/dbraw/zinc/12/34/41/718123441.db2.gz KWPYCQLMKVKYSI-HPBDAGMYSA-N 2 0 356.432 3.333 20 0 FGADRP O[C@H](C[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)CC(F)(F)F ZINC000644619336 718134256 /nfs/dbraw/zinc/13/42/56/718134256.db2.gz CZPOCBFPPYSQJZ-WNRNVDISSA-N 2 0 356.432 3.190 20 0 FGADRP C[C@H](C[NH2+]CC(=O)NCC[NH+]1CCCCCC1)c1cccc(Cl)c1 ZINC000646215198 718271075 /nfs/dbraw/zinc/27/10/75/718271075.db2.gz LBCSAWNDAPCPKD-MRXNPFEDSA-N 2 0 351.922 3.025 20 0 FGADRP C[NH2+]C(C)(C)CNC(=O)Nc1ccc(SCC[NH+]2CCCCC2)cc1 ZINC000646534200 718293002 /nfs/dbraw/zinc/29/30/02/718293002.db2.gz NWLKNOKUDXYPKL-UHFFFAOYSA-N 2 0 364.559 3.384 20 0 FGADRP OCC[N@H+](CCCC1CC[NH2+]CC1)Cc1cc(Br)ccc1F ZINC000647883340 718383089 /nfs/dbraw/zinc/38/30/89/718383089.db2.gz GDLRTPRBWBDATM-UHFFFAOYSA-N 2 0 373.310 3.162 20 0 FGADRP COc1ccc(CC[N@@H+](Cc2ccsc2)C[C@@H]2CC[NH2+]C2)cc1OC ZINC000647890004 718383487 /nfs/dbraw/zinc/38/34/87/718383487.db2.gz FHOFVNAAOYZVMB-QGZVFWFLSA-N 2 0 360.523 3.420 20 0 FGADRP Clc1cccc(-c2noc(CC[N@@H+]3CCC[C@H]([C@H]4CCC[NH2+]4)C3)n2)c1 ZINC000647903616 718385573 /nfs/dbraw/zinc/38/55/73/718385573.db2.gz NCVMDPRIEMUQDU-DOTOQJQBSA-N 2 0 360.889 3.397 20 0 FGADRP CC[C@@H](NC(=O)C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1)c1ccc(Cl)cc1 ZINC000647970684 718390605 /nfs/dbraw/zinc/39/06/05/718390605.db2.gz WBJYRDRXFJCTCW-PKOBYXMFSA-N 2 0 363.933 3.229 20 0 FGADRP c1csc(-c2noc(CCC[N@@H+]3CCC[C@H]([C@H]4CCC[NH2+]C4)C3)n2)c1 ZINC000647975654 718390986 /nfs/dbraw/zinc/39/09/86/718390986.db2.gz DDAIPNQFAKMEQP-HOTGVXAUSA-N 2 0 360.527 3.442 20 0 FGADRP [NH3+]C[C@H]1C[N@H+](CCCc2ccc(C(F)(F)F)cc2)CC12CCOCC2 ZINC000647986152 718392635 /nfs/dbraw/zinc/39/26/35/718392635.db2.gz XJRHCGKIHVRNGB-KRWDZBQOSA-N 2 0 356.432 3.325 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)[C@@H]([NH3+])c2cccc(Cl)c2)C1 ZINC000649311553 718503472 /nfs/dbraw/zinc/50/34/72/718503472.db2.gz ZFEAMDCAHLFXLJ-GJYPPUQNSA-N 2 0 363.933 3.453 20 0 FGADRP C[C@H](CCNC(=O)[C@H]([NH3+])c1cccc(Cl)c1)[N@H+](C)Cc1ccccc1 ZINC000649347431 718506279 /nfs/dbraw/zinc/50/62/79/718506279.db2.gz WYSPCIWDEGADAR-DNVCBOLYSA-N 2 0 359.901 3.367 20 0 FGADRP CC[C@@]1([NH2+]Cc2cc(C[NH2+][C@@]3(CC)CCOC3)ccc2F)CCOC1 ZINC000649482968 718519578 /nfs/dbraw/zinc/51/95/78/718519578.db2.gz XMPMPDWAJOCHLE-VQTJNVASSA-N 2 0 350.478 3.143 20 0 FGADRP CC[C@@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)c1cc(OC)c(OC)c(OC)c1 ZINC000652208651 718923144 /nfs/dbraw/zinc/92/31/44/718923144.db2.gz KUKZGJDWKHKTTR-NVXWUHKLSA-N 2 0 350.503 3.485 20 0 FGADRP [NH3+]C[C@@H]1CC[C@@H](NC(=O)Nc2ccc(SCC[NH+]3CCCC3)cc2)C1 ZINC000652614093 718966350 /nfs/dbraw/zinc/96/63/50/718966350.db2.gz NRSZVCATGQPXGZ-NVXWUHKLSA-N 2 0 362.543 3.123 20 0 FGADRP C[C@H](CCC[NH3+])NC(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000652614234 718966947 /nfs/dbraw/zinc/96/69/47/718966947.db2.gz SCZOHSYKSAXCCN-OAHLLOKOSA-N 2 0 350.532 3.123 20 0 FGADRP C[C@@H]1C[N@H+](C)[C@H](C)CN1c1ccc2c(n1)CC[NH+](Cc1ccccc1)C2 ZINC001164631043 719180789 /nfs/dbraw/zinc/18/07/89/719180789.db2.gz ADUJXSUMFMTPGN-QZTJIDSGSA-N 2 0 350.510 3.169 20 0 FGADRP CCC(C)(C)[NH+]1CCN(C(=O)NCCCCC[NH+]2CCCCC2)CC1 ZINC000654452609 719203633 /nfs/dbraw/zinc/20/36/33/719203633.db2.gz SZNNPHVZNSWADA-UHFFFAOYSA-N 2 0 352.567 3.158 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)[C@H]1C[C@@]12CCC[NH2+]C2)c1ccccc1Cl ZINC000655442478 719293557 /nfs/dbraw/zinc/29/35/57/719293557.db2.gz QXYGBOONXOQASB-YVWKXTFCSA-N 2 0 363.933 3.229 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)[C@@H]1C[C@]12CCC[NH2+]C2)c1ccccc1Cl ZINC000655442475 719293583 /nfs/dbraw/zinc/29/35/83/719293583.db2.gz QXYGBOONXOQASB-HQRMLTQVSA-N 2 0 363.933 3.229 20 0 FGADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2cc(OC(F)F)ccc2Br)C1 ZINC000655824731 719344858 /nfs/dbraw/zinc/34/48/58/719344858.db2.gz OCEQTERNEWPUTG-KLPPZKSPSA-N 2 0 363.246 3.480 20 0 FGADRP [NH3+][C@H]1CCC[C@H]([NH2+]CC2(c3cccc(Br)c3)CCOCC2)C1 ZINC000656197745 719372914 /nfs/dbraw/zinc/37/29/14/719372914.db2.gz GMDJKXIPFDTFGV-IRXDYDNUSA-N 2 0 367.331 3.357 20 0 FGADRP Clc1ccc(C[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)c(-n2cncn2)c1 ZINC000656782028 719470321 /nfs/dbraw/zinc/47/03/21/719470321.db2.gz CXRIXRQVKOMBPZ-INIZCTEOSA-N 2 0 359.905 3.132 20 0 FGADRP COCc1csc(C[NH2+]Cc2cccc(CN3CCO[C@H](C)C3)c2)c1 ZINC000657329913 719626658 /nfs/dbraw/zinc/62/66/58/719626658.db2.gz PFXSXYGPVCVINL-MRXNPFEDSA-N 2 0 360.523 3.405 20 0 FGADRP C[C@@H]1C[NH+](CCCC[NH2+]Cc2cc(F)ccc2OC(F)F)C[C@@H](C)O1 ZINC000657368520 719634603 /nfs/dbraw/zinc/63/46/03/719634603.db2.gz XZWIWNJIPBPOQV-ZIAGYGMSSA-N 2 0 360.420 3.406 20 0 FGADRP Fc1ccc(/C=C/C[NH2+]CC2CC[NH+](C3CCOCC3)CC2)cc1F ZINC000657538019 719668149 /nfs/dbraw/zinc/66/81/49/719668149.db2.gz WHGNBEOPPSEXIR-OWOJBTEDSA-N 2 0 350.453 3.459 20 0 FGADRP [NH3+]C1(C(=O)Nc2ccc(SCC[NH+]3CCCC3)cc2)CC2(CCC2)C1 ZINC000659329461 719899249 /nfs/dbraw/zinc/89/92/49/719899249.db2.gz VJIDBIQWDIJALW-UHFFFAOYSA-N 2 0 359.539 3.475 20 0 FGADRP CC(C)[NH+]1CCN(CCC[NH2+][C@H]2C[C@@H](OC(C)(C)C)C23CCC3)CC1 ZINC000661841432 720329761 /nfs/dbraw/zinc/32/97/61/720329761.db2.gz PLXMEEMWHKEBTB-RBUKOAKNSA-N 2 0 351.579 3.118 20 0 FGADRP [NH3+][C@@H]1CCO[C@@H](C2CC[NH+](CCSc3ccc(F)cc3F)CC2)C1 ZINC000662280913 720408967 /nfs/dbraw/zinc/40/89/67/720408967.db2.gz HIZDPIATCLMMFH-NVXWUHKLSA-N 2 0 356.482 3.275 20 0 FGADRP Brc1cccc(C2CC[NH+](C[C@@H]3CCC4(C[NH2+]C4)O3)CC2)c1 ZINC000662279014 720409030 /nfs/dbraw/zinc/40/90/30/720409030.db2.gz FAVMCXANLJIOQX-KRWDZBQOSA-N 2 0 365.315 3.150 20 0 FGADRP CSc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)cc1 ZINC000662294679 720411393 /nfs/dbraw/zinc/41/13/93/720411393.db2.gz DRPKMKUVKDMYJL-RDJZCZTQSA-N 2 0 361.555 3.447 20 0 FGADRP C[C@H](C(=O)Nc1ccc(F)c(F)c1)[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662297462 720411840 /nfs/dbraw/zinc/41/18/40/720411840.db2.gz QFKNKRQGGGOXDX-HIFRSBDPSA-N 2 0 351.441 3.003 20 0 FGADRP CC[C@H]1c2ccsc2CCN1C(=O)C[N@@H+]1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000662314129 720414632 /nfs/dbraw/zinc/41/46/32/720414632.db2.gz NATSDPYDVUYPQB-BPQIPLTHSA-N 2 0 363.571 3.423 20 0 FGADRP CC[C@@H]([NH2+]C)C(=O)NC[C@H](c1ccc(C(F)(F)F)cc1)[NH+](CC)CC ZINC000662412046 720426048 /nfs/dbraw/zinc/42/60/48/720426048.db2.gz HIAZUQSEMQQSAW-HZPDHXFCSA-N 2 0 359.436 3.203 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)CC1([NH3+])CC1)c1ccc(C(F)(F)F)cc1 ZINC000662698015 720453220 /nfs/dbraw/zinc/45/32/20/720453220.db2.gz MYBQZOAOUDNHQT-OAHLLOKOSA-N 2 0 357.420 3.086 20 0 FGADRP COc1cc2[nH+]ccc(N(C)CC3C[NH+](C)C3)c2cc1Br ZINC000664330657 720626323 /nfs/dbraw/zinc/62/63/23/720626323.db2.gz QKZZHPFFONFVQU-UHFFFAOYSA-N 2 0 350.260 3.004 20 0 FGADRP COc1cc2cc[nH+]c(N3CC4(C3)CC[N@H+](CC3CC3)C4)c2cc1OC ZINC001164774228 721290635 /nfs/dbraw/zinc/29/06/35/721290635.db2.gz YASBWHUAWFUBKH-UHFFFAOYSA-N 2 0 353.466 3.174 20 0 FGADRP C[N@@H+](Cc1nc2cc(Br)ccc2o1)CC1CC[NH+](C)CC1 ZINC000671681590 721607757 /nfs/dbraw/zinc/60/77/57/721607757.db2.gz IIQMZTGGKCGPNN-UHFFFAOYSA-N 2 0 352.276 3.364 20 0 FGADRP COc1cc(Br)ccc1C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000671761351 721612698 /nfs/dbraw/zinc/61/26/98/721612698.db2.gz XCYKEEKYHBJRCR-ARFHVFGLSA-N 2 0 353.304 3.420 20 0 FGADRP CC(C)[NH2+][C@@H]1CCCN(C(=O)NC[C@H](c2ccc(Cl)cc2)[NH+](C)C)C1 ZINC000673781514 721672305 /nfs/dbraw/zinc/67/23/05/721672305.db2.gz XSTSSDQERBMSEX-QZTJIDSGSA-N 2 0 366.937 3.115 20 0 FGADRP CCc1ccc(Cl)c(CC)c1NC(=O)CCC[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000675953938 721780225 /nfs/dbraw/zinc/78/02/25/721780225.db2.gz PSGODFJPBCOCPX-HZPDHXFCSA-N 2 0 363.933 3.335 20 0 FGADRP Cc1nc([C@@H](C)[NH2+]CC2(N3CCCCC3)CC[NH+](C)CC2)c(C)s1 ZINC000676491456 721809368 /nfs/dbraw/zinc/80/93/68/721809368.db2.gz CINBWAZWQBSXAV-OAHLLOKOSA-N 2 0 350.576 3.361 20 0 FGADRP C[C@H]([NH2+][C@@H](c1ccc(Cl)cc1)[C@H]1CN(C)CCO1)C1CC[NH+](C)CC1 ZINC000678610471 721967227 /nfs/dbraw/zinc/96/72/27/721967227.db2.gz NZJXARYUTQEVRJ-BEVDRBHNSA-N 2 0 365.949 3.032 20 0 FGADRP C[C@@H]([NH2+][C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)C1CC[NH+](C)CC1 ZINC000679366099 722025294 /nfs/dbraw/zinc/02/52/94/722025294.db2.gz JQRURQFXFCSSJE-PXAZEXFGSA-N 2 0 370.324 3.419 20 0 FGADRP CC(C)[N@@H+]1CC[C@@H](C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)N(C(=O)OC(C)(C)C)C3)C1 ZINC000707908306 722412358 /nfs/dbraw/zinc/41/23/58/722412358.db2.gz QJNMMPWADTVEHI-FJIDUMEYSA-N 2 0 351.535 3.094 20 0 FGADRP C[N@@H+]1CCCC[C@@H](C[NH2+][C@H]2C[C@H]3C[C@@H](C2)N(C(=O)OC(C)(C)C)C3)C1 ZINC000709458766 722413161 /nfs/dbraw/zinc/41/31/61/722413161.db2.gz OFBJUYLKQVHILF-XSLAGTTESA-N 2 0 351.535 3.096 20 0 FGADRP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H]2C[C@H]3C[C@@H](C2)N(C(=O)OC(C)(C)C)C3)C1 ZINC000709486865 722413184 /nfs/dbraw/zinc/41/31/84/722413184.db2.gz NWJIFFHXSJMTOS-XSLAGTTESA-N 2 0 351.535 3.096 20 0 FGADRP C[NH+](C)CC(C)(C)CNC(=S)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000727067372 722440751 /nfs/dbraw/zinc/44/07/51/722440751.db2.gz BQBVRLPXORAQDX-UHFFFAOYSA-N 2 0 368.635 3.227 20 0 FGADRP C/C(=C/C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)c1ccccc1Cl ZINC000727863418 722448102 /nfs/dbraw/zinc/44/81/02/722448102.db2.gz MEFVEQXXXDROAM-MSUUIHNZSA-N 2 0 365.949 3.475 20 0 FGADRP O[C@H](C[NH2+]C1(c2ccc(Br)cc2)CCCC1)C[NH+]1CCCC1 ZINC000747676383 722656141 /nfs/dbraw/zinc/65/61/41/722656141.db2.gz VIJVZUSZVTWVIW-QGZVFWFLSA-N 2 0 367.331 3.265 20 0 FGADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H](O)CO[C@H](C)c2ccc(Cl)cc2)[C@H](C)C1 ZINC000749345402 722725190 /nfs/dbraw/zinc/72/51/90/722725190.db2.gz AJJZYRNJYSZGIJ-YKCBXCCJSA-N 2 0 368.949 3.441 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)/C=C\c1ccccc1Cl ZINC000750735448 722779533 /nfs/dbraw/zinc/77/95/33/722779533.db2.gz XJUPPCCVMMIEOJ-JYBLJSLWSA-N 2 0 363.933 3.228 20 0 FGADRP CN1CCC([NH+]2CCC(CC[N@H+](C)C[C@H]3CC3(Cl)Cl)CC2)CC1 ZINC000750984533 722788976 /nfs/dbraw/zinc/78/89/76/722788976.db2.gz SBVXGZOUIXRZOG-MRXNPFEDSA-N 2 0 362.389 3.308 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=S)Nc1c(C)cccc1C ZINC000751008916 722790403 /nfs/dbraw/zinc/79/04/03/722790403.db2.gz AHHNOGDKEHPQJX-GOSISDBHSA-N 2 0 362.587 3.348 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=S)Nc1cccc(Cl)c1 ZINC000751010595 722790629 /nfs/dbraw/zinc/79/06/29/722790629.db2.gz IWSCOKKJXTWVHU-QGZVFWFLSA-N 2 0 368.978 3.385 20 0 FGADRP CC(C)(C)C[NH+](CN1C[C@]2(C[NH+]3CCC2CC3)OC1=O)CC(C)(C)C ZINC000790372456 723132266 /nfs/dbraw/zinc/13/22/66/723132266.db2.gz NUTXIMJWBNDNRZ-FQEVSTJZSA-N 2 0 351.535 3.255 20 0 FGADRP CC(C)(C[NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)CC1)C[NH+]1CCCC1 ZINC000790747473 723173075 /nfs/dbraw/zinc/17/30/75/723173075.db2.gz DLVAMJRPFFSWBJ-QGZVFWFLSA-N 2 0 353.551 3.488 20 0 FGADRP CC(C)(C[NH2+][C@H]1CCC[C@@H]1CNC(=O)OC(C)(C)C)C[NH+]1CCCC1 ZINC000790748127 723173208 /nfs/dbraw/zinc/17/32/08/723173208.db2.gz JUSXWLWPLCNWIM-SJORKVTESA-N 2 0 353.551 3.391 20 0 FGADRP CC(C)[N@@H+]1CC[C@@H](C[NH2+]C2CCC(CNC(=O)OC(C)(C)C)CC2)C1 ZINC000796281171 723629960 /nfs/dbraw/zinc/62/99/60/723629960.db2.gz IKMKDVHSBFMHQC-ADKAHSJRSA-N 2 0 353.551 3.390 20 0 FGADRP COc1c(C)cc([C@@H](C)[NH2+]CCCC[NH+]2CCN(C)CC2)cc1Cl ZINC000796694834 723650462 /nfs/dbraw/zinc/65/04/62/723650462.db2.gz NPSKBCJXTDNMRC-MRXNPFEDSA-N 2 0 353.938 3.335 20 0 FGADRP CC(C)COC(=O)N1CCC([NH2+]CCC[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000796692979 723650508 /nfs/dbraw/zinc/65/05/08/723650508.db2.gz CHDMXJUTXKURII-QZTJIDSGSA-N 2 0 353.551 3.201 20 0 FGADRP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]CCNc2ccccc2)CC1 ZINC000770736249 723720242 /nfs/dbraw/zinc/72/02/42/723720242.db2.gz JNHPLBMLOCJHOQ-UHFFFAOYSA-N 2 0 358.917 3.294 20 0 FGADRP CC(C)(C)OC(=O)N1CCC[C@H]([NH2+]CC2CC[NH+](C3CC3)CC2)CC1 ZINC000774496547 723899885 /nfs/dbraw/zinc/89/98/85/723899885.db2.gz MCYUWGPEHWULIZ-KRWDZBQOSA-N 2 0 351.535 3.240 20 0 FGADRP CC(C)(C)OC(=O)NCCC[NH2+]CC1CC[NH+](Cc2cccs2)CC1 ZINC000774992779 723949413 /nfs/dbraw/zinc/94/94/13/723949413.db2.gz SKQAXUZPZZUTHA-UHFFFAOYSA-N 2 0 367.559 3.465 20 0 FGADRP C[NH+]1CCC2(CCC[N@H+](Cc3ccc(OCC(F)(F)F)nc3)C2)CC1 ZINC000799176731 723994972 /nfs/dbraw/zinc/99/49/72/723994972.db2.gz AGASICKVDNACIA-UHFFFAOYSA-N 2 0 357.420 3.331 20 0 FGADRP C[NH+]1CCC2(CCC[N@@H+]([C@@H]3CCN(c4cccc(Cl)c4)C3=O)C2)CC1 ZINC000799177231 723995521 /nfs/dbraw/zinc/99/55/21/723995521.db2.gz MRGYYLQSUGRSAP-GOSISDBHSA-N 2 0 361.917 3.253 20 0 FGADRP CC(C)[C@@H](C(=O)OC[C@]1(F)CC[N@@H+]([C@H](C)c2ccccc2)C1)[NH+](C)C ZINC000802147089 724361261 /nfs/dbraw/zinc/36/12/61/724361261.db2.gz RFBHMICCPDWMPI-KPFFTGBYSA-N 2 0 350.478 3.291 20 0 FGADRP C[NH+]1CCC(C[NH2+][C@H]2CCc3nc(Cl)ccc32)(N2CCCCC2)CC1 ZINC000806140879 725117739 /nfs/dbraw/zinc/11/77/39/725117739.db2.gz DGDSDWWKHRNUBY-KRWDZBQOSA-N 2 0 362.949 3.262 20 0 FGADRP C[NH+](C)CC1CCC([NH2+]Cc2nc3ccccn3c2Br)CC1 ZINC000809628321 725253632 /nfs/dbraw/zinc/25/36/32/725253632.db2.gz UDPXMBNEBYWFCU-UHFFFAOYSA-N 2 0 365.319 3.307 20 0 FGADRP C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2CCN(C(=O)OC(C)(C)C)C(C)(C)C)C1 ZINC000809766931 725266703 /nfs/dbraw/zinc/26/67/03/725266703.db2.gz CIEIWYLYHJMCOH-DLBZAZTESA-N 2 0 353.551 3.438 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1ccnc(Cl)c1Cl ZINC000811507135 725370725 /nfs/dbraw/zinc/37/07/25/725370725.db2.gz RVQREPNKKCVYIG-OAHLLOKOSA-N 2 0 359.345 3.236 20 0 FGADRP CC(C)[NH2+]C1CC[NH+](C[C@H]2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)CC1 ZINC000813335084 726862347 /nfs/dbraw/zinc/86/23/47/726862347.db2.gz KBDZBRZZDVQKCI-SJORKVTESA-N 2 0 353.551 3.484 20 0 FGADRP C[C@H](C[C@H](O)c1cccs1)[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000817912946 727287745 /nfs/dbraw/zinc/28/77/45/727287745.db2.gz LHTIZROLDXTGRJ-HSSOGYSNSA-N 2 0 358.507 3.406 20 0 FGADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C[C@@H](O)c1ccccc1Br ZINC000817935900 727288616 /nfs/dbraw/zinc/28/86/16/727288616.db2.gz OVOOMLIPIAAEKE-CKEIUWERSA-N 2 0 355.320 3.383 20 0 FGADRP C[NH+](C)Cc1cccc(C[NH2+]C[C@H](O)c2cccc(Br)c2)c1 ZINC000818953207 727329696 /nfs/dbraw/zinc/32/96/96/727329696.db2.gz ISWWJTROBDYOJV-SFHVURJKSA-N 2 0 363.299 3.334 20 0 FGADRP C[C@H](C[NH2+]C[C@H](O)c1cccc(Br)c1)C[NH+]1CCCCC1 ZINC000818970201 727332470 /nfs/dbraw/zinc/33/24/70/727332470.db2.gz VDOVBEZFTOLKCW-PBHICJAKSA-N 2 0 355.320 3.194 20 0 FGADRP CC[NH+]1CCC(C[NH2+]C[C@@](C)(O)c2ccc(Br)cc2F)CC1 ZINC000818974113 727333116 /nfs/dbraw/zinc/33/31/16/727333116.db2.gz DVDJCEAOTVRLFX-QGZVFWFLSA-N 2 0 373.310 3.117 20 0 FGADRP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+]C[C@H](O)c2cccc(Br)c2)C1 ZINC000819183174 727355458 /nfs/dbraw/zinc/35/54/58/727355458.db2.gz UMLISUFMPWNKEB-YJBOKZPZSA-N 2 0 369.347 3.440 20 0 FGADRP C[C@H](CC[NH2+]C[C@H](O)c1ccc(F)c(Br)c1)[NH+]1CCCCC1 ZINC000819231248 727360292 /nfs/dbraw/zinc/36/02/92/727360292.db2.gz RRCFKNJYVCZWIB-DYVFJYSZSA-N 2 0 373.310 3.476 20 0 FGADRP C[C@@H]1C[C@@H](C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)CCN1C(=O)OC(C)(C)C ZINC000823650044 729296005 /nfs/dbraw/zinc/29/60/05/729296005.db2.gz ZUWDLWYWLVGIJQ-IXDOHACOSA-N 2 0 351.535 3.096 20 0 FGADRP CCC[N@@H+]1CC[C@H](C[NH2+]C[C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)C1 ZINC000823699073 729299644 /nfs/dbraw/zinc/29/96/44/729299644.db2.gz ZUDPOVAXFHZTKF-KZNAEPCWSA-N 2 0 353.551 3.344 20 0 FGADRP C[C@@H]1C[C@H](C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)CCN1C(=O)OC(C)(C)C ZINC000824428548 729337615 /nfs/dbraw/zinc/33/76/15/729337615.db2.gz TXBRQKUDCBQSPK-HLIPFELVSA-N 2 0 351.535 3.050 20 0 FGADRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2cc3ccccc3nc2Cl)CC1 ZINC000825279046 729376903 /nfs/dbraw/zinc/37/69/03/729376903.db2.gz MFKSTVFYTNHBHG-UHFFFAOYSA-N 2 0 360.933 3.394 20 0 FGADRP Cc1cc([C@@H]([NH3+])CC(=O)NCCCC[N@H+]2CCCC[C@H]2C)cc(Cl)n1 ZINC000827103213 729424330 /nfs/dbraw/zinc/42/43/30/729424330.db2.gz GUILKUUOSWDOMA-WBVHZDCISA-N 2 0 366.937 3.204 20 0 FGADRP C[NH+](C)CCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)C[C@@H]([NH3+])C1CC1 ZINC000827666504 729433109 /nfs/dbraw/zinc/43/31/09/729433109.db2.gz QRFJODADJPHBAH-QGZVFWFLSA-N 2 0 372.340 3.401 20 0 FGADRP Cc1ccc(NC(=O)C[C@H]([NH3+])c2cc(C)nc(Cl)c2)c(C[NH+](C)C)c1 ZINC000829612329 729495476 /nfs/dbraw/zinc/49/54/76/729495476.db2.gz GPIREORIJKXVFE-INIZCTEOSA-N 2 0 360.889 3.442 20 0 FGADRP CC[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000834513342 729808792 /nfs/dbraw/zinc/80/87/92/729808792.db2.gz KYBYIXLCGXZHLA-BDXSIMOUSA-N 2 0 351.535 3.381 20 0 FGADRP C[C@@H]([NH2+]C1CC([NH+]2CCCCC2)C1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000834789616 729834439 /nfs/dbraw/zinc/83/44/39/729834439.db2.gz GGNJJKSCMWJWHE-AQEOSJORSA-N 2 0 351.535 3.381 20 0 FGADRP C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1[NH2+]CCCC[N@H+](C)C1CC1 ZINC000834909774 729845594 /nfs/dbraw/zinc/84/55/94/729845594.db2.gz UFOCRGYOCFXXDZ-SJLPKXTDSA-N 2 0 353.551 3.486 20 0 FGADRP CCOC(=O)C(F)(F)[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(CC[NH3+])cc2)C1 ZINC000841034352 730205115 /nfs/dbraw/zinc/20/51/15/730205115.db2.gz XIXJZIBKFDLFEO-IAGOWNOFSA-N 2 0 354.441 3.035 20 0 FGADRP Cc1ccc(-n2c(Cl)c(C[NH2+][C@@H]3CC[C@@H](C[NH3+])C3)nc2N(C)C)cc1 ZINC000841084930 730208935 /nfs/dbraw/zinc/20/89/35/730208935.db2.gz QIRRWCBIMXJITQ-HUUCEWRRSA-N 2 0 361.921 3.117 20 0 FGADRP C[NH+](C)CCCC[NH2+]Cc1cc(OC(F)F)ccc1Br ZINC000842673268 730528838 /nfs/dbraw/zinc/52/88/38/730528838.db2.gz LARLIQCGGWNFPC-UHFFFAOYSA-N 2 0 351.235 3.482 20 0 FGADRP O=C(CC[N@@H+]1CCC2(C1)CC[NH2+]CC2)Nc1cc(Cl)ccc1Cl ZINC000843364237 730611086 /nfs/dbraw/zinc/61/10/86/730611086.db2.gz VQAXNSCTZDJRGN-UHFFFAOYSA-N 2 0 356.297 3.398 20 0 FGADRP C[C@@H]1C[C@H]([NH2+]C2CC[NH+](C3CCC3)CC2)CN(C(=O)OC(C)(C)C)C1 ZINC000843398571 730614340 /nfs/dbraw/zinc/61/43/40/730614340.db2.gz PWSDJCIIINRGCK-WBVHZDCISA-N 2 0 351.535 3.238 20 0 FGADRP CSC1(C[NH2+][C@@H]2C[C@H](C)CN(C(=O)OC(C)(C)C)C2)CC[NH+](C)CC1 ZINC000843410456 730616562 /nfs/dbraw/zinc/61/65/62/730616562.db2.gz SWDOFEXDJGDITK-JKSUJKDBSA-N 2 0 371.591 3.049 20 0 FGADRP [NH3+]CCCCCCC[NH+]1CCC(C(=O)Nc2ccc(Cl)cn2)CC1 ZINC000844221810 730693101 /nfs/dbraw/zinc/69/31/01/730693101.db2.gz MBVJMJJSVJXUSI-UHFFFAOYSA-N 2 0 352.910 3.295 20 0 FGADRP [NH3+]CCCCCCC[N@@H+]1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC000844222082 730693295 /nfs/dbraw/zinc/69/32/95/730693295.db2.gz SYLPZHIUZUVEPU-HNNXBMFYSA-N 2 0 352.910 3.295 20 0 FGADRP Cc1ccsc1CCNC(=[NH2+])NC1CC[NH+](Cc2ccccc2)CC1 ZINC000849075885 731226390 /nfs/dbraw/zinc/22/63/90/731226390.db2.gz VIILXLSQIAVEPN-UHFFFAOYSA-N 2 0 356.539 3.378 20 0 FGADRP C[N@@H+]1CCC[C@H](CNC(=[NH2+])NC2CC2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000849079416 731226697 /nfs/dbraw/zinc/22/66/97/731226697.db2.gz NISZKFBCUFVTSE-CZUORRHYSA-N 2 0 354.420 3.365 20 0 FGADRP COc1ccc(NC(=[NH2+])NCC(C)(C)[NH+]2CCC(OC)CC2)cc1Cl ZINC000849102073 731229339 /nfs/dbraw/zinc/22/93/39/731229339.db2.gz RMFFOJFJCHCCBY-UHFFFAOYSA-N 2 0 368.909 3.174 20 0 FGADRP C[N@@H+]1CCC[C@H](CNC(=[NH2+])N2CCC2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000849111724 731230454 /nfs/dbraw/zinc/23/04/54/731230454.db2.gz BZIXVLFPMLFUDK-GDBMZVCRSA-N 2 0 354.420 3.318 20 0 FGADRP C[N@H+](CCCCNC(=[NH2+])NCc1ccc(OC(F)(F)F)cc1)C1CC1 ZINC000849116409 731230944 /nfs/dbraw/zinc/23/09/44/731230944.db2.gz OTIBTPZQOYHMSX-UHFFFAOYSA-N 2 0 358.408 3.074 20 0 FGADRP C[C@@H]1CCC[N@H+](Cc2c(Cl)n(C)nc2C(F)(F)F)[C@@H]1CCC[NH3+] ZINC000852759087 731631245 /nfs/dbraw/zinc/63/12/45/731631245.db2.gz JMHGHQKAVLNKAG-ZYHUDNBSSA-N 2 0 352.832 3.432 20 0 FGADRP COC[C@@H]1CCC[NH+](CC[Si](C)(C)CC[N@H+]2CCC[C@@H](COC)C2)C1 ZINC000859140839 732282517 /nfs/dbraw/zinc/28/25/17/732282517.db2.gz XDCIHYIUIJFWQQ-WOJBJXKFSA-N 2 0 370.654 3.412 20 0 FGADRP COC[C@H]1CCC[NH+](CC[Si](C)(C)CC[N@H+]2CCC[C@H](COC)C2)C1 ZINC000859140838 732282626 /nfs/dbraw/zinc/28/26/26/732282626.db2.gz XDCIHYIUIJFWQQ-PMACEKPBSA-N 2 0 370.654 3.412 20 0 FGADRP CCc1nc(NC(=O)CN(C)Cc2ccc(C[NH+](C)C)cc2)sc1C ZINC000859211721 732290596 /nfs/dbraw/zinc/29/05/96/732290596.db2.gz BYINBHVZWHAWBF-UHFFFAOYSA-N 2 0 360.527 3.146 20 0 FGADRP C[C@@]1(O)CCC[N@H+](CC[Si](C)(C)CC[NH+]2CCC[C@](C)(O)CC2)CC1 ZINC000859285574 732304344 /nfs/dbraw/zinc/30/43/44/732304344.db2.gz ZICQIINDKTUZGU-BGYRXZFFSA-N 2 0 370.654 3.169 20 0 FGADRP C[NH+](C)C1(C)CCC([NH2+]C[C@H](CC(F)F)NC(=O)OC(C)(C)C)CC1 ZINC000865765148 733266146 /nfs/dbraw/zinc/26/61/46/733266146.db2.gz XQRUDKSXQMOIHK-FVRSWCFKSA-N 2 0 363.493 3.387 20 0 FGADRP COCCc1ncc(C[NH2+]CC2(c3ccccc3)CC[NH+](C)CC2)s1 ZINC000865774666 733267071 /nfs/dbraw/zinc/26/70/71/733267071.db2.gz KSWHHNFZIHVKLO-UHFFFAOYSA-N 2 0 359.539 3.085 20 0 FGADRP C[C@H]([NH2+]CCCC[NH+]1CCN(C)CC1)c1cc2c(ccnc2Cl)o1 ZINC000866230736 733327023 /nfs/dbraw/zinc/32/70/23/733327023.db2.gz APQWSFQAQSQZDA-AWEZNQCLSA-N 2 0 350.894 3.159 20 0 FGADRP C[C@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)c1cc2c(ccnc2Cl)o1 ZINC000866259291 733329861 /nfs/dbraw/zinc/32/98/61/733329861.db2.gz LCSSKOYMKGRABD-AWEZNQCLSA-N 2 0 364.921 3.405 20 0 FGADRP [NH3+][C@H]1CC[C@@H](C(=O)NCC2CC[NH+](Cc3ccccc3Cl)CC2)CC1 ZINC000870883297 733898793 /nfs/dbraw/zinc/89/87/93/733898793.db2.gz QWLGBEKXIZIENY-MAEOIBBWSA-N 2 0 363.933 3.186 20 0 FGADRP CC[NH+](CC)CCC[C@H](C)NC(=O)[C@@H]([NH3+])c1cccc(Br)c1 ZINC000870914454 733901878 /nfs/dbraw/zinc/90/18/78/733901878.db2.gz SICITPNHKYAUIK-BBRMVZONSA-N 2 0 370.335 3.076 20 0 FGADRP Fc1ccc([C@@H]2CC[NH2+]C[C@@H]2C[NH2+]Cc2cc3c(s2)CC[NH2+]C3)cc1 ZINC000873213307 735739018 /nfs/dbraw/zinc/73/90/18/735739018.db2.gz UXNLNEBVTOTVEE-APWZRJJASA-N 3 0 359.514 3.016 20 0 FGADRP Cc1nn(C)c2nc(Cl)c(C[NH2+][C@@H]3CCCCC34CC[NH2+]CC4)cc12 ZINC000873233060 735741519 /nfs/dbraw/zinc/74/15/19/735741519.db2.gz YEMDUNOXNSWUJR-MRXNPFEDSA-N 2 0 361.921 3.332 20 0 FGADRP FC(F)(F)C(F)(F)OCC[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000873283610 735746466 /nfs/dbraw/zinc/74/64/66/735746466.db2.gz XSFOTWYZLMLAMP-TZMCWYRMSA-N 2 0 366.330 3.004 20 0 FGADRP CC[C@H]([NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2)c1ccccc1OC(F)F ZINC000873291543 735747189 /nfs/dbraw/zinc/74/71/89/735747189.db2.gz XAFDBSIHYWLTAG-ZBFHGGJFSA-N 2 0 354.441 3.487 20 0 FGADRP CC[N@@H+]1CCC[C@@H](C[NH2+][C@H]2C[C@H]3C[C@@H](C2)N(C(=O)OC(C)(C)C)C3)C1 ZINC000876987993 736170836 /nfs/dbraw/zinc/17/08/36/736170836.db2.gz PJUXYHQAESZFHA-XSLAGTTESA-N 2 0 351.535 3.096 20 0 FGADRP C[NH+](C)C[C@H](NC(=O)/C=C/[C@@H]1CCC[NH2+]C1)c1ccc(Cl)c(Cl)c1 ZINC000877053274 736181105 /nfs/dbraw/zinc/18/11/05/736181105.db2.gz ITLUKHXSFQBBGS-HHKHWZMTSA-N 2 0 370.324 3.268 20 0 FGADRP C[C@H]([NH2+]C1CC[NH+](CC(C)(C)O)CC1)c1cccc(OC(F)(F)F)c1 ZINC000877094224 736186761 /nfs/dbraw/zinc/18/67/61/736186761.db2.gz OQQFISRJRBYFDK-ZDUSSCGKSA-N 2 0 360.420 3.471 20 0 FGADRP CCO[P@](C)(=O)CC[C@@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000877190844 736197170 /nfs/dbraw/zinc/19/71/70/736197170.db2.gz BDTXIBYDWJDCEV-GSQWSPMESA-N 2 0 368.458 3.066 20 0 FGADRP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](C[C@@H]2CC(C)(C)OC2(C)C)CC1 ZINC000878020774 736758601 /nfs/dbraw/zinc/75/86/01/736758601.db2.gz QDLHPPVVALVMIB-QRVBRYPASA-N 2 0 351.579 3.071 20 0 FGADRP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](C[C@H]2CC(C)(C)OC2(C)C)CC1 ZINC000878020772 736758913 /nfs/dbraw/zinc/75/89/13/736758913.db2.gz QDLHPPVVALVMIB-GUDVDZBRSA-N 2 0 351.579 3.071 20 0 FGADRP CC1CC[NH+](C[C@H]2CCC[N@H+](C[C@H]3CCC4(CCOCC4)O3)C2)CC1 ZINC000878017777 736759097 /nfs/dbraw/zinc/75/90/97/736759097.db2.gz NPWXXNIZKUIKPT-WOJBJXKFSA-N 2 0 350.547 3.159 20 0 FGADRP C[N@@H+]1CC[C@H]2CN(CCC(=O)Nc3ccccc3C(F)(F)F)CC[C@@H]21 ZINC000879576351 737009946 /nfs/dbraw/zinc/00/99/46/737009946.db2.gz BSPOAZGGLSWFLB-BBRMVZONSA-N 2 0 355.404 3.060 20 0 FGADRP Cc1ccccc1SC[C@@H](C)C[NH+]1CCC(N2CC[NH+](C)CC2)CC1 ZINC000879595064 737011948 /nfs/dbraw/zinc/01/19/48/737011948.db2.gz WLYDIWFIGPOUFU-SFHVURJKSA-N 2 0 361.599 3.435 20 0 FGADRP CC(C)(O)C1CC[NH+](CCCCC[NH+]2CCC(C(C)(C)O)CC2)CC1 ZINC000879627906 737018678 /nfs/dbraw/zinc/01/86/78/737018678.db2.gz XBORLKUQKXJESV-UHFFFAOYSA-N 2 0 354.579 3.123 20 0 FGADRP CC(C)(C)OC(=O)N1CC[C@H](CC[NH+]2CCC(C)([NH+]3CCC3)CC2)C1 ZINC000880475043 737178774 /nfs/dbraw/zinc/17/87/74/737178774.db2.gz QSESLPRLOFNLLR-KRWDZBQOSA-N 2 0 351.535 3.194 20 0 FGADRP COC1CCN(C(C)(C)C[NH2+]C2CCC(C)([NH+]3CCCC3)CC2)CC1 ZINC000886524610 739264940 /nfs/dbraw/zinc/26/49/40/739264940.db2.gz NLBHMTNLABTOMI-UHFFFAOYSA-N 2 0 351.579 3.263 20 0 FGADRP C[C@@H]1C[NH+](CCCC[NH2+]C2CCC(C)([NH+]3CCCC3)CC2)C[C@@H](C)O1 ZINC000886548053 739266707 /nfs/dbraw/zinc/26/67/07/739266707.db2.gz WOGVGBMXKIZIHA-HJLBWTBNSA-N 3 0 351.579 3.263 20 0 FGADRP COC(=O)c1cnc([C@@H](C)[NH2+]C2CCC(C)([NH+]3CCCC3)CC2)s1 ZINC000886629707 739277403 /nfs/dbraw/zinc/27/74/03/739277403.db2.gz LUXPSPBGXWPNDP-WRSVWVKZSA-N 2 0 351.516 3.377 20 0 FGADRP C[C@H]1CN(Cc2ccc(C(F)F)c(F)c2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000892153150 739971618 /nfs/dbraw/zinc/97/16/18/739971618.db2.gz MGGXCYOWYYITND-KSSFIOAISA-N 2 0 355.448 3.221 20 0 FGADRP CC[NH+](CC)CCCC1CCN(C(=O)N[C@H]2CC[C@H](C[NH3+])CC2)CC1 ZINC000892445153 740001173 /nfs/dbraw/zinc/00/11/73/740001173.db2.gz LOXYONLQPKOEPI-WGSAOQKQSA-N 2 0 352.567 3.048 20 0 FGADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@@H]2CC[N@@H+](C(C)C)C2)C[C@@H]1C(F)(F)F ZINC000894454899 742285701 /nfs/dbraw/zinc/28/57/01/742285701.db2.gz BRVMVSOVWWYBPD-JONQDZQNSA-N 2 0 364.452 3.217 20 0 FGADRP F[C@H]1CC2(CC[C@H]1[NH2+]Cc1c(Cl)cccc1-n1ccnc1)OCCO2 ZINC000894659027 742315869 /nfs/dbraw/zinc/31/58/69/742315869.db2.gz LXRGLABWHVVECR-JKSUJKDBSA-N 2 0 365.836 3.249 20 0 FGADRP Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)[C@@H]1CCN1C(C)(C)C ZINC000896025113 742483776 /nfs/dbraw/zinc/48/37/76/742483776.db2.gz ZPNXNVONYDAQQB-SFHVURJKSA-N 2 0 361.555 3.355 20 0 FGADRP [NH3+]CCCC[C@H]([NH2+]CCc1cn2c(n1)SCC2)c1ccc(F)cc1F ZINC000902378719 743738787 /nfs/dbraw/zinc/73/87/87/743738787.db2.gz ZZNLIDDTFSXUMZ-KRWDZBQOSA-N 2 0 366.481 3.269 20 0 FGADRP [NH3+][C@@H]1CCO[C@H](C2CC[NH+](C[C@@H]3[C@@H](c4ccccc4)C3(F)F)CC2)C1 ZINC000903460183 743853146 /nfs/dbraw/zinc/85/31/46/743853146.db2.gz ZJSOBZAGBCVSLS-AKHDSKFASA-N 2 0 350.453 3.254 20 0 FGADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2C[C@@H]2[C@@H](c3ccccc3)C2(F)F)C1 ZINC000903460835 743853164 /nfs/dbraw/zinc/85/31/64/743853164.db2.gz JOXUAFRSLZWDQU-ZSXDVEMLSA-N 2 0 350.453 3.396 20 0 FGADRP Cc1cccc(C[N@@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)c1Br ZINC000903765132 743881357 /nfs/dbraw/zinc/88/13/57/743881357.db2.gz YPVWKDFUVIROFO-BHYGNILZSA-N 2 0 367.331 3.476 20 0 FGADRP Clc1ccc(C2(C[NH2+]Cc3cnnn3[C@@H]3CCC[NH2+]C3)CCC2)cc1 ZINC000903923424 743897875 /nfs/dbraw/zinc/89/78/75/743897875.db2.gz TYDIJQWJMOHTIW-QGZVFWFLSA-N 2 0 359.905 3.068 20 0 FGADRP [NH3+]C[C@@H]1CC2(CO1)CC[NH+](Cc1ccc(OC(F)F)c(Cl)c1)CC2 ZINC000904392056 743951541 /nfs/dbraw/zinc/95/15/41/743951541.db2.gz LZUCZWLSJLEZDZ-ZDUSSCGKSA-N 2 0 360.832 3.271 20 0 FGADRP Cc1sc(C[NH3+])nc1-c1nc(-c2cccc(C[NH+]3CCCC3)c2)no1 ZINC000904578598 743963388 /nfs/dbraw/zinc/96/33/88/743963388.db2.gz ZJBVNQNFSDEVIQ-UHFFFAOYSA-N 2 0 355.467 3.223 20 0 FGADRP C[C@@](O)(C[NH2+]C1CCC(C)([NH+]2CCCC2)CC1)C(F)(F)C(F)(F)F ZINC000905534806 744030921 /nfs/dbraw/zinc/03/09/21/744030921.db2.gz VPXPQXLPTIIAIM-JXQTWKCFSA-N 2 0 358.395 3.322 20 0 FGADRP CCC(CC)[C@H](CNC(=O)NC[C@H](C)[NH+]1CCCCC1)[NH+]1CCCC1 ZINC000918120691 758304943 /nfs/dbraw/zinc/30/49/43/758304943.db2.gz JZALJZMHPBQTBR-HKUYNNGSSA-N 2 0 352.567 3.061 20 0 FGADRP CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H]([NH2+]CC2CC[NH+](C3CC3)CC2)C1 ZINC000922067386 758844564 /nfs/dbraw/zinc/84/45/64/758844564.db2.gz CNPCUYYGCZXEBG-IAGOWNOFSA-N 2 0 351.535 3.144 20 0 FGADRP CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1ccccc1Br)C2 ZINC000922388786 758910144 /nfs/dbraw/zinc/91/01/44/758910144.db2.gz RGXGRDFFPRTWDK-BDXSIMOUSA-N 2 0 367.331 3.018 20 0 FGADRP CC(C)[C@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1cc(Cl)cc(Cl)c1N)C2 ZINC000922391533 758911544 /nfs/dbraw/zinc/91/15/44/758911544.db2.gz WIYVYWQAORYLRH-AHCXZYCDSA-N 2 0 372.340 3.145 20 0 FGADRP CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3cc(F)c(F)c(F)c3)C2)[C@H]1C(C)C ZINC000922395339 758913768 /nfs/dbraw/zinc/91/37/68/758913768.db2.gz VMRVIQOTTLAANZ-RWQQGDIJSA-N 2 0 356.432 3.063 20 0 FGADRP c1ccc(CC[NH+]2CCC([NH2+]CCc3nc4c(s3)CCC4)CC2)cc1 ZINC000922716124 758990709 /nfs/dbraw/zinc/99/07/09/758990709.db2.gz ZEJCIKWDVOBGKN-UHFFFAOYSA-N 2 0 355.551 3.471 20 0 FGADRP Cc1ccc(-c2nc(C[NH+]3CCC4(CO[C@H](C[NH3+])C4)CC3)cs2)cc1 ZINC000923450491 759120800 /nfs/dbraw/zinc/12/08/00/759120800.db2.gz VJIIELKBRMPLMD-SFHVURJKSA-N 2 0 357.523 3.448 20 0 FGADRP CSc1nnc(CCC[NH2+][C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)n1CC(C)C ZINC000925488952 759496946 /nfs/dbraw/zinc/49/69/46/759496946.db2.gz WMPJAGSBUHISNS-HUUCEWRRSA-N 2 0 353.580 3.084 20 0 FGADRP COc1ccc(Cl)cc1NC(=O)CC[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925531424 759501419 /nfs/dbraw/zinc/50/14/19/759501419.db2.gz ZEICNWRCYWBKGC-KBPBESRZSA-N 2 0 353.894 3.173 20 0 FGADRP COc1cc([C@H](C)[NH2+]CCN2CCC([NH3+])CC2)ccc1SC(F)F ZINC000925809031 759547631 /nfs/dbraw/zinc/54/76/31/759547631.db2.gz HFIYTCBVQGXKFR-LBPRGKRZSA-N 2 0 359.486 3.084 20 0 FGADRP Cc1nc(-c2ccccc2F)sc1[C@H](C)[NH2+]CCN1CCC([NH3+])CC1 ZINC000925810402 759548230 /nfs/dbraw/zinc/54/82/30/759548230.db2.gz NEFKRYKNIURCOJ-ZDUSSCGKSA-N 2 0 362.518 3.331 20 0 FGADRP [NH3+]CCC[C@H]([NH2+]CC1(n2cc(Br)cn2)CC1)c1ccccc1 ZINC000925837490 759555271 /nfs/dbraw/zinc/55/52/71/759555271.db2.gz FRGZCGFITALVHF-INIZCTEOSA-N 2 0 363.303 3.205 20 0 FGADRP C[C@@H]([NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ccccc1C(F)(F)F ZINC000925858192 759561843 /nfs/dbraw/zinc/56/18/43/759561843.db2.gz UGSHVUZBRTYEIK-OLZOCXBDSA-N 2 0 356.388 3.041 20 0 FGADRP [NH3+]CC[C@@H]1CCN(C(=O)Nc2ccc(SCC[NH+]3CCCC3)cc2)C1 ZINC000926171389 759666851 /nfs/dbraw/zinc/66/68/51/759666851.db2.gz PLLMYUMMDVSNCI-MRXNPFEDSA-N 2 0 362.543 3.077 20 0 FGADRP CCOC(=O)c1csc(CC[NH2+][C@H](C)c2cccc(C[NH+](C)C)c2)n1 ZINC000926253315 759688408 /nfs/dbraw/zinc/68/84/08/759688408.db2.gz PVAULNZOEBZRDZ-CQSZACIVSA-N 2 0 361.511 3.275 20 0 FGADRP CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+][C@@H]1CCCc3c(Cl)ccnc31)C2 ZINC000926879517 759836787 /nfs/dbraw/zinc/83/67/87/759836787.db2.gz LJLXLLZRMRGDGK-QKMNUUQDSA-N 2 0 363.933 3.182 20 0 FGADRP CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+][C@H]3CCc4c3nccc4Cl)C2)[C@@H]1C(C)C ZINC000926881105 759836905 /nfs/dbraw/zinc/83/69/05/759836905.db2.gz SPHUJNBLWXGACN-NIMBFUQJSA-N 2 0 363.933 3.182 20 0 FGADRP C[C@H]([NH2+]CCc1ccccc1S(C)(=O)=O)c1cccc(C[NH+](C)C)c1 ZINC000926906646 759841633 /nfs/dbraw/zinc/84/16/33/759841633.db2.gz XWNPEBVLZATCQS-INIZCTEOSA-N 2 0 360.523 3.045 20 0 FGADRP Cc1ccc(S(=O)(=O)C[C@H](C)[NH2+]C2CCC(C)([NH+]3CCC3)CC2)cc1 ZINC000927040199 759881566 /nfs/dbraw/zinc/88/15/66/759881566.db2.gz ZAZWNYAHNCVMJR-ZJRDLVKKSA-N 2 0 364.555 3.154 20 0 FGADRP C[C@@H]([NH2+]C1CCC(C)([NH+]2CCC2)CC1)c1ccc(NS(C)(=O)=O)cc1 ZINC000927040174 759881708 /nfs/dbraw/zinc/88/17/08/759881708.db2.gz YVWJCSIVKUZVDI-LSJNQWAISA-N 2 0 365.543 3.116 20 0 FGADRP C[N@@H+]1CCC[C@]2(CC[NH+](C[C@@H]3CC[C@H](NC(=O)OC(C)(C)C)C3)C2)C1 ZINC000930577125 760646369 /nfs/dbraw/zinc/64/63/69/760646369.db2.gz JFZVROBHCWGOII-UWVAXJGDSA-N 2 0 351.535 3.098 20 0 FGADRP Cc1cc(C[NH+]2CC[C@]3(NC(=O)[C@@H]4CC[N@H+](C)[C@@H]4C)CCC[C@H]23)cs1 ZINC000990790137 764563074 /nfs/dbraw/zinc/56/30/74/764563074.db2.gz KOTYBROTKRPOLF-PHXBYCTMSA-N 2 0 361.555 3.010 20 0 FGADRP C[C@@H](c1ccccc1Cl)[NH+]1CCC(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001002859690 765348940 /nfs/dbraw/zinc/34/89/40/765348940.db2.gz DDZQEOFUOBZLKZ-RVKKMQEKSA-N 2 0 363.933 3.322 20 0 FGADRP CC[C@@H]1[C@@H](C(=O)N2CC[C@H](C[NH2+]Cc3ccc(Cl)cc3)C2)CC[N@@H+]1C ZINC001026856360 766083340 /nfs/dbraw/zinc/08/33/40/766083340.db2.gz YJICAPJPQVCWSJ-NZSAHSFTSA-N 2 0 363.933 3.008 20 0 FGADRP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](C[NH2+]Cc3ccc(Cl)s3)C2)CC[N@@H+]1C ZINC001026855571 766083543 /nfs/dbraw/zinc/08/35/43/766083543.db2.gz JUFSECPAJMVBTC-CWRNSKLLSA-N 2 0 369.962 3.070 20 0 FGADRP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCC[NH+]2Cc2ccc(Cl)cc2)CC[N@@H+]1C ZINC001027892981 766104703 /nfs/dbraw/zinc/10/47/03/766104703.db2.gz JARRSAWGPMOOKP-GBESFXJTSA-N 2 0 363.933 3.151 20 0 FGADRP C[C@H]([NH2+]CC1CCN(c2cc[nH+]cc2)CC1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000293514841 257379767 /nfs/dbraw/zinc/37/97/67/257379767.db2.gz CKXLIGVAUSXFMC-INIZCTEOSA-N 2 0 374.529 3.143 20 0 FGADRP C[C@@H](CC(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1)C1CC[NH2+]CC1 ZINC000567980256 505588505 /nfs/dbraw/zinc/58/85/05/505588505.db2.gz VYDJMBGWZCTWIR-SFHVURJKSA-N 2 0 372.557 3.172 20 0 FGADRP O=C([C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)N1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000567982800 505589717 /nfs/dbraw/zinc/58/97/17/505589717.db2.gz RRNCUDJBCDSJLO-QKNQBKEWSA-N 2 0 373.516 3.028 20 0 FGADRP c1ccc2c(c1)O[C@H](C[NH2+][C@H]1C[C@]3(CC[NH2+]C3)Oc3ccccc31)CS2 ZINC000570843792 505593453 /nfs/dbraw/zinc/59/34/53/505593453.db2.gz TYSRXJGZBBOBKY-KUDFPVQQSA-N 2 0 368.502 3.385 20 0 FGADRP COc1cc([C@@H](C)[NH2+]CC2(SC)CC[NH+](C)CC2)cc(OC)c1OC ZINC000570890058 505603553 /nfs/dbraw/zinc/60/35/53/505603553.db2.gz DUDSBWYWTSIPSI-CQSZACIVSA-N 2 0 368.543 3.190 20 0 FGADRP CCOC(=O)CC(C)(C)CC[N@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000577049549 505652588 /nfs/dbraw/zinc/65/25/88/505652588.db2.gz FVPVGDQZVZLYOP-BGYRXZFFSA-N 2 0 358.526 3.420 20 0 FGADRP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CCCc4c(O)cccc43)cn2)CC1 ZINC000579985729 505656841 /nfs/dbraw/zinc/65/68/41/505656841.db2.gz IPEPMUPCZKGNOE-HXUWFJFHSA-N 2 0 366.509 3.096 20 0 FGADRP O=C(NCc1ccccc1C[NH+]1CCCCC1)[C@H]1C[NH2+]Cc2ccccc21 ZINC000568259555 505654722 /nfs/dbraw/zinc/65/47/22/505654722.db2.gz CXNZGFWARJOPDQ-QFIPXVFZSA-N 2 0 363.505 3.176 20 0 FGADRP CC[NH+](CC)Cc1cccc(CNC(=O)[C@H]2C[NH2+]Cc3ccccc32)c1 ZINC000577059420 505654785 /nfs/dbraw/zinc/65/47/85/505654785.db2.gz OQOQWDAMSREVIJ-NRFANRHFSA-N 2 0 351.494 3.032 20 0 FGADRP O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000573980779 505666558 /nfs/dbraw/zinc/66/65/58/505666558.db2.gz ZBNRHEPSPXASPR-VQTJNVASSA-N 2 0 367.493 3.055 20 0 FGADRP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]Cc1cc(OC)c(O)c(OC)c1 ZINC000574001731 505670068 /nfs/dbraw/zinc/67/00/68/505670068.db2.gz KUKZVGAPKMFIDZ-IAGOWNOFSA-N 2 0 350.503 3.400 20 0 FGADRP CC[N@@H+](Cc1ccc(C(=O)NC)cc1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076155127 493833021 /nfs/dbraw/zinc/83/30/21/493833021.db2.gz CFJPVUYUEFRLDW-OAQYLSRUSA-N 2 0 365.521 3.390 20 0 FGADRP O=C(NCC[NH+]1CCCC1)c1ccc(C[NH2+]Cc2ccc(F)cc2F)cc1 ZINC000076331115 493866938 /nfs/dbraw/zinc/86/69/38/493866938.db2.gz JOOFMWPLTZJTHA-UHFFFAOYSA-N 2 0 373.447 3.080 20 0 FGADRP C[NH+](C)[C@H](CNC(=O)NC1CC[NH+](CC2CCCC2)CC1)c1ccccc1 ZINC000068887222 493889470 /nfs/dbraw/zinc/88/94/70/493889470.db2.gz SGQZSJQZSGRMTI-OAQYLSRUSA-N 2 0 372.557 3.243 20 0 FGADRP C[NH+](C)[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1Cc1ccccc1)c1ccsc1 ZINC000050029695 493893604 /nfs/dbraw/zinc/89/36/04/493893604.db2.gz PQBLHAJPSWWISD-MOPGFXCFSA-N 2 0 357.523 3.132 20 0 FGADRP C[NH+](C)CCOc1ccc(NC(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)cc1 ZINC000069007253 493906371 /nfs/dbraw/zinc/90/63/71/493906371.db2.gz ANNDSJRBTNVBDC-OAQYLSRUSA-N 2 0 367.493 3.230 20 0 FGADRP CC[NH+](CC)CCNC(=O)NCc1ccccc1C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000060894191 493957977 /nfs/dbraw/zinc/95/79/77/493957977.db2.gz XHVKPZGBYAYCGW-OALUTQOASA-N 2 0 374.573 3.306 20 0 FGADRP CCCC[N@H+](C)CC1CC[NH+](CC(=O)NCC2(c3ccccc3)CC2)CC1 ZINC000052210019 494011852 /nfs/dbraw/zinc/01/18/52/494011852.db2.gz XURNIDQFULZRFJ-UHFFFAOYSA-N 2 0 371.569 3.278 20 0 FGADRP CC(C)[N@@H+]1CCCN(C(=O)NC[C@@H]2CCC[NH+](Cc3ccccc3)C2)CC1 ZINC000069820491 494017360 /nfs/dbraw/zinc/01/73/60/494017360.db2.gz CLJQHSGWXHJLIW-NRFANRHFSA-N 2 0 372.557 3.024 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1cccc2c1ccn2C ZINC000077203506 494032318 /nfs/dbraw/zinc/03/23/18/494032318.db2.gz KUFOCUZCLVUHMT-QGZVFWFLSA-N 2 0 371.529 3.058 20 0 FGADRP CC(C)[NH2+]CCCNC(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000580173298 505695630 /nfs/dbraw/zinc/69/56/30/505695630.db2.gz XQFHRYICSVVKQC-GOSISDBHSA-N 2 0 360.546 3.106 20 0 FGADRP C[NH+](C)CCN(Cc1cccs1)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000084411653 494071482 /nfs/dbraw/zinc/07/14/82/494071482.db2.gz SBYYKGPJSMMAGL-UHFFFAOYSA-N 2 0 366.575 3.131 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)NCCC[NH+]2CCCC[C@H]2C)C1 ZINC000071923571 494108004 /nfs/dbraw/zinc/10/80/04/494108004.db2.gz AZLOXXRWVKJCIN-HSALFYBXSA-N 2 0 366.594 3.308 20 0 FGADRP Fc1cc2cccnc2c(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)c1 ZINC000064344348 494115335 /nfs/dbraw/zinc/11/53/35/494115335.db2.gz PATPJIKDEJQWCV-UHFFFAOYSA-N 2 0 357.473 3.308 20 0 FGADRP C[C@H](NC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)C(C)(C)C[NH+](C)C ZINC000085362788 494116502 /nfs/dbraw/zinc/11/65/02/494116502.db2.gz CCRDKECQMCLKQR-HBFSDRIKSA-N 2 0 374.573 3.315 20 0 FGADRP C[C@H](NC(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1)C(C)(C)C[NH+](C)C ZINC000085365688 494117475 /nfs/dbraw/zinc/11/74/75/494117475.db2.gz RPWOBXRMFFYOQS-PKOBYXMFSA-N 2 0 360.546 3.099 20 0 FGADRP Cc1ccc([C@H](CNC(=O)N(C)[C@H]2CC[N@@H+](C)C[C@@H]2C)[NH+]2CCCC2)cc1 ZINC000085400893 494121077 /nfs/dbraw/zinc/12/10/77/494121077.db2.gz YNHUBPCPPRHFJE-JBACZVJFSA-N 2 0 372.557 3.114 20 0 FGADRP CCC[N@@H+]1CC[C@@H](CNC(=O)N2CCC[NH+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000077691586 494145610 /nfs/dbraw/zinc/14/56/10/494145610.db2.gz UISAKILLCBWWJK-FPOVZHCZSA-N 2 0 372.557 3.024 20 0 FGADRP Cc1ccc([C@@H](CNC(=O)NCC(C)(C)[NH+]2CCCCC2)[NH+](C)C)cc1 ZINC000065470284 494201187 /nfs/dbraw/zinc/20/11/87/494201187.db2.gz YDMJVUARYSKQST-LJQANCHMSA-N 2 0 360.546 3.161 20 0 FGADRP Cc1ccc([C@@H](CNC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)[NH+](C)C)cc1 ZINC000065476704 494202459 /nfs/dbraw/zinc/20/24/59/494202459.db2.gz AQRLUXPUULACPN-LEWJYISDSA-N 2 0 368.525 3.200 20 0 FGADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)NCC2([NH+](C)C)CCCCC2)C1 ZINC000065522201 494208558 /nfs/dbraw/zinc/20/85/58/494208558.db2.gz QOOUNNPAJXJRMB-QUCCMNQESA-N 2 0 372.557 3.386 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)NCC[NH+](C)Cc2ccccc2)C1 ZINC000065542139 494212065 /nfs/dbraw/zinc/21/20/65/494212065.db2.gz YYUMTGOLWPVVFH-BGYRXZFFSA-N 2 0 374.573 3.176 20 0 FGADRP O=C(C[NH2+]C(c1ccccc1)c1ccccc1)NC1CC[NH+](C2CC2)CC1 ZINC000042287762 494214162 /nfs/dbraw/zinc/21/41/62/494214162.db2.gz QKHURNLBEFRKJE-UHFFFAOYSA-N 2 0 363.505 3.109 20 0 FGADRP CC[NH+](CC)CCOC1CC[NH+](CCC(=O)Nc2ccccc2C)CC1 ZINC000072694676 494235111 /nfs/dbraw/zinc/23/51/11/494235111.db2.gz GVXSXJMEPKOYPY-UHFFFAOYSA-N 2 0 361.530 3.146 20 0 FGADRP CCC[N@@H+]1CC[C@@H](CNC(=O)NCc2ccccc2C[NH+](C)C(C)C)C1 ZINC000054511402 494243193 /nfs/dbraw/zinc/24/31/93/494243193.db2.gz GYRIYQBKRIGDFN-SFHVURJKSA-N 2 0 360.546 3.058 20 0 FGADRP COc1cccc([C@@H]2[C@@H]([NH2+]CCN3CCC(C)CC3)CCN2C2CC2)c1 ZINC000568486868 505706921 /nfs/dbraw/zinc/70/69/21/505706921.db2.gz LXYHQIYKXXFDNI-FCHUYYIVSA-N 2 0 357.542 3.295 20 0 FGADRP C[NH+](C)[C@@H](CNC(=O)NC[C@H](C1CCCCC1)[NH+](C)C)c1cccs1 ZINC000043144079 494269101 /nfs/dbraw/zinc/26/91/01/494269101.db2.gz DEFXEXJRUXUAQK-SJORKVTESA-N 2 0 366.575 3.161 20 0 FGADRP C[C@H]([NH2+][C@H]1CCCC[C@@H]1C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000078625608 494333079 /nfs/dbraw/zinc/33/30/79/494333079.db2.gz IZZBOAMMAOSGLI-WFXMLNOXSA-N 2 0 357.542 3.324 20 0 FGADRP CC(C)[NH+]1CCC(C(=O)NCc2ccccc2C[NH+]2CCCCC2)CC1 ZINC000073406175 494367178 /nfs/dbraw/zinc/36/71/78/494367178.db2.gz TWTTXBUKMLTDOC-UHFFFAOYSA-N 2 0 357.542 3.409 20 0 FGADRP C[NH+]1CCC(C(=O)N(CC[NH+]2CCCC2)Cc2ccc(Cl)cc2)CC1 ZINC000073470946 494374474 /nfs/dbraw/zinc/37/44/74/494374474.db2.gz WPTOVWVDYKWFIX-UHFFFAOYSA-N 2 0 363.933 3.106 20 0 FGADRP CC[NH+](CC)[C@@H]1CCN(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000073542157 494387138 /nfs/dbraw/zinc/38/71/38/494387138.db2.gz JZJWEKIVTCPVEK-OAQYLSRUSA-N 2 0 372.557 3.298 20 0 FGADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)Nc1ccccc1C(F)(F)F ZINC000079066787 494399667 /nfs/dbraw/zinc/39/96/67/494399667.db2.gz WALQVROBSUBUHU-UHFFFAOYSA-N 2 0 374.451 3.443 20 0 FGADRP CCC[C@@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)c1ccccn1 ZINC000090038631 494431749 /nfs/dbraw/zinc/43/17/49/494431749.db2.gz FRJCLWHGAMFTAC-LJQANCHMSA-N 2 0 354.498 3.004 20 0 FGADRP CC[C@@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)c1ccc(F)cc1 ZINC000090038768 494432167 /nfs/dbraw/zinc/43/21/67/494432167.db2.gz GJZIINKQMWFVOO-HXUWFJFHSA-N 2 0 357.473 3.358 20 0 FGADRP C[C@@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)c1cc(F)cc(F)c1 ZINC000090038782 494432650 /nfs/dbraw/zinc/43/26/50/494432650.db2.gz YQWRWGMVOQNLLZ-CQSZACIVSA-N 2 0 361.436 3.107 20 0 FGADRP CC[NH+](CC)Cc1cccc(C[NH2+][C@H](C)C(=O)NCc2ccccc2)c1 ZINC000079307477 494434072 /nfs/dbraw/zinc/43/40/72/494434072.db2.gz GGVZJAFXLCSQDE-GOSISDBHSA-N 2 0 353.510 3.323 20 0 FGADRP CC[NH+](CC)Cc1cccc(C[NH2+][C@@H](C)C(=O)NCc2ccccc2)c1 ZINC000079307474 494434302 /nfs/dbraw/zinc/43/43/02/494434302.db2.gz GGVZJAFXLCSQDE-SFHVURJKSA-N 2 0 353.510 3.323 20 0 FGADRP CC[NH+]1CCC(CCNC(=O)NC[C@H](c2ccc(C)cc2)[NH+](C)C)CC1 ZINC000073897396 494443737 /nfs/dbraw/zinc/44/37/37/494443737.db2.gz AJYSSVBOMLOWFD-HXUWFJFHSA-N 2 0 360.546 3.019 20 0 FGADRP CCc1ccc([C@H](CNC(=O)N2CCC(CC[NH+](C)C)CC2)[NH+](C)C)cc1 ZINC000079572701 494484317 /nfs/dbraw/zinc/48/43/17/494484317.db2.gz WOZSDYLDHFNTTI-NRFANRHFSA-N 2 0 374.573 3.225 20 0 FGADRP CC(C)[N@H+](C)CC1CCN(C(=O)NCc2cccc(C[NH+](C)C)c2)CC1 ZINC000079617336 494494023 /nfs/dbraw/zinc/49/40/23/494494023.db2.gz TYLJWZDXDOOMAJ-UHFFFAOYSA-N 2 0 360.546 3.010 20 0 FGADRP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1oc2ccccc2c1C[NH+](C)C ZINC000074228243 494502181 /nfs/dbraw/zinc/50/21/81/494502181.db2.gz GIAPDOSCNHVGCF-HZPDHXFCSA-N 2 0 357.498 3.345 20 0 FGADRP C[C@@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)c1cccc(OC(F)F)c1 ZINC000090937169 494505100 /nfs/dbraw/zinc/50/51/00/494505100.db2.gz BQTMIFISKJFLKH-CQSZACIVSA-N 2 0 365.424 3.474 20 0 FGADRP CC(C)[C@H](NC(=O)C[NH+]1CCC(CC[NH+](C)C)CC1)c1ccc(F)cc1 ZINC000056523707 494519904 /nfs/dbraw/zinc/51/99/04/494519904.db2.gz NKYSPLCZDMYUIV-NRFANRHFSA-N 2 0 363.521 3.303 20 0 FGADRP CC[C@H](C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)[NH+](CC)CC ZINC000574237722 505727394 /nfs/dbraw/zinc/72/73/94/505727394.db2.gz UREYGUHRULNIOU-FUHWJXTLSA-N 2 0 351.560 3.197 20 0 FGADRP CC(C)[NH+](CCNC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)C(C)C ZINC000080055568 494577768 /nfs/dbraw/zinc/57/77/68/494577768.db2.gz SHLIEIQVHQUJBG-CTNGQTDRSA-N 2 0 374.573 3.458 20 0 FGADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H]2CCc3c2cccc3Br)CC1 ZINC000091285574 494578384 /nfs/dbraw/zinc/57/83/84/494578384.db2.gz JNOLYIUAVYWTMO-KDOFPFPSSA-N 2 0 366.347 3.052 20 0 FGADRP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)c1ccccc1CC1CC[NH2+]CC1 ZINC000580315398 505731043 /nfs/dbraw/zinc/73/10/43/505731043.db2.gz HEEFQCZSNVXPOW-FQEVSTJZSA-N 2 0 357.542 3.175 20 0 FGADRP CC(C)C[C@@H](CCO)C[NH2+]Cc1c(Cl)cccc1N1CC[NH+](C)CC1 ZINC000092410071 494617654 /nfs/dbraw/zinc/61/76/54/494617654.db2.gz XDNFVYXBPWWWDI-QGZVFWFLSA-N 2 0 367.965 3.226 20 0 FGADRP C[NH+](C)[C@H]1CCC[C@@H](NCc2c(Cl)cccc2N2CC[NH+](C)CC2)C1 ZINC000092410581 494617694 /nfs/dbraw/zinc/61/76/94/494617694.db2.gz RWFWFQOUROXWCE-SJORKVTESA-N 2 0 364.965 3.054 20 0 FGADRP C[C@@H]1C[C@H](NC(=O)N(C)CC2CC[NH+](C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000080166432 494621160 /nfs/dbraw/zinc/62/11/60/494621160.db2.gz ONZNUTMCLJUZJK-WIYYLYMNSA-N 2 0 372.557 3.023 20 0 FGADRP C[C@H](CNC(=O)N(C)[C@H]1CCC[N@H+](Cc2ccccc2)C1)C[NH+]1CCCC1 ZINC000074856591 494625285 /nfs/dbraw/zinc/62/52/85/494625285.db2.gz OAGFPFSDZWMQFI-CTNGQTDRSA-N 2 0 372.557 3.024 20 0 FGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H](C)c2cccc(OC(F)F)c2)CC1 ZINC000121223525 494654414 /nfs/dbraw/zinc/65/44/14/494654414.db2.gz WEVMCRHTZOTALN-HZPDHXFCSA-N 2 0 355.473 3.212 20 0 FGADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1ccc(Cl)c(Cl)c1 ZINC000057157464 494659874 /nfs/dbraw/zinc/65/98/74/494659874.db2.gz PSSSRTKJGBFWGT-UHFFFAOYSA-N 2 0 360.329 3.339 20 0 FGADRP C[N@@H+]1CCC[C@H](CNC(=O)NCC2([NH3+])CCCCC2)[C@@H]1c1cccs1 ZINC000568608523 505735472 /nfs/dbraw/zinc/73/54/72/505735472.db2.gz DLYUKVOIVNGIPG-NVXWUHKLSA-N 2 0 364.559 3.092 20 0 FGADRP COC(=O)c1ccc(C[N@H+](C)Cc2ccc(OCC[NH+](C)C)cc2)cc1 ZINC000091829256 494694873 /nfs/dbraw/zinc/69/48/73/494694873.db2.gz VIFOVQGTGMQDFV-UHFFFAOYSA-N 2 0 356.466 3.046 20 0 FGADRP C[NH+](C)CCCNC(=O)NCc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000057286640 494704810 /nfs/dbraw/zinc/70/48/10/494704810.db2.gz ZSMADQWELFZCGQ-UHFFFAOYSA-N 2 0 360.546 3.202 20 0 FGADRP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)NCC(C)(C)[NH2+][C@@H](C)c2ccccc2)C1 ZINC000121372271 494726161 /nfs/dbraw/zinc/72/61/61/494726161.db2.gz AIWLPQMSEYHIHU-OALUTQOASA-N 2 0 374.573 3.393 20 0 FGADRP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)NC[C@@H]1CCC[NH+](C)C1 ZINC000108549577 494736578 /nfs/dbraw/zinc/73/65/78/494736578.db2.gz CHUWHZFMXMZTSX-OALUTQOASA-N 2 0 372.557 3.202 20 0 FGADRP C[C@H](C(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCCCCC1 ZINC000075410841 494759757 /nfs/dbraw/zinc/75/97/57/494759757.db2.gz QZYBUAZXRYITQL-TZIWHRDSSA-N 2 0 357.542 3.231 20 0 FGADRP C[C@H]1CCC[C@H](C)N1C(=O)C[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821536 494762974 /nfs/dbraw/zinc/76/29/74/494762974.db2.gz PEBIVABXTLVNPP-OALUTQOASA-N 2 0 372.557 3.409 20 0 FGADRP C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)C[C@H](O)COc1ccccc1 ZINC000092821311 494763296 /nfs/dbraw/zinc/76/32/96/494763296.db2.gz RFTFVGZTOVCCSU-NRFANRHFSA-N 2 0 369.509 3.060 20 0 FGADRP CC[N@H+](Cc1ccc(C(=O)NC2C[C@H]3CCC[C@@H](C2)[NH+]3C)cc1)C1CC1 ZINC000080718362 494776545 /nfs/dbraw/zinc/77/65/45/494776545.db2.gz SKSLTHUQLQCPMZ-VCSGRIEYSA-N 2 0 355.526 3.416 20 0 FGADRP CC1CC[NH+](C2CCC([NH2+]C[C@@H](O)COCc3cccs3)CC2)CC1 ZINC000577502681 505741294 /nfs/dbraw/zinc/74/12/94/505741294.db2.gz DSVNCRXEHMOTAF-CTWPCTMYSA-N 2 0 366.571 3.258 20 0 FGADRP Cc1ccc(OC[C@H](O)C[NH2+][C@@H]2CCN([C@H](C)c3ccccc3)C2)c(C)c1 ZINC000571474307 505741348 /nfs/dbraw/zinc/74/13/48/505741348.db2.gz LFWWXBDKNZYLTF-CEMLEFRQSA-N 2 0 368.521 3.468 20 0 FGADRP CC[N@H+](CCNC(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1)C(C)C ZINC000116433863 494784900 /nfs/dbraw/zinc/78/49/00/494784900.db2.gz NXEWJYYQVBEHPV-SFHVURJKSA-N 2 0 360.546 3.242 20 0 FGADRP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)NC2CC[NH+](C3CC3)CC2)CC1 ZINC000116435237 494786738 /nfs/dbraw/zinc/78/67/38/494786738.db2.gz TTZXIIMSKRVHOM-QGZVFWFLSA-N 2 0 370.541 3.138 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)NC1CC[NH+](C(C)C)CC1)c1ccsc1 ZINC000047884087 494788518 /nfs/dbraw/zinc/78/85/18/494788518.db2.gz DNMGWHUEZWTLDQ-GOSISDBHSA-N 2 0 366.575 3.303 20 0 FGADRP COc1ccc(C[NH+]2CCC(C[NH2+][C@@H]3[C@@H]4CCO[C@@H]4C34CCC4)CC2)cc1 ZINC000121526384 494791678 /nfs/dbraw/zinc/79/16/78/494791678.db2.gz QDVJDEPJDHHTPE-BDTNDASRSA-N 2 0 370.537 3.454 20 0 FGADRP Cc1cc(Cl)c2c(c1)[C@H]([NH2+]C[C@H](C)N1CC[NH+](C)CC1)CCCO2 ZINC000126661956 494813697 /nfs/dbraw/zinc/81/36/97/494813697.db2.gz YMGXLBZOKJSHAN-MAUKXSAKSA-N 2 0 351.922 3.088 20 0 FGADRP Cc1csc2nc(C[NH+]3CCC(CCC[NH+]4CCCC4)CC3)cc(=O)n12 ZINC000121606127 494818191 /nfs/dbraw/zinc/81/81/91/494818191.db2.gz FQDRMGNTUBJGKL-UHFFFAOYSA-N 2 0 374.554 3.152 20 0 FGADRP CCN(C(=O)C[NH+]1CCC(CC[NH+](C)C)CC1)[C@H](C)c1ccc(F)cc1 ZINC000121619234 494822253 /nfs/dbraw/zinc/82/22/53/494822253.db2.gz RGTJNCZIEYNDQL-QGZVFWFLSA-N 2 0 363.521 3.399 20 0 FGADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)NCCCCC[NH+]2CCCCC2)C1 ZINC000126739607 494829369 /nfs/dbraw/zinc/82/93/69/494829369.db2.gz NDEGWOIKIFQFRV-HXUWFJFHSA-N 2 0 366.594 3.310 20 0 FGADRP C[C@@H]([NH2+][C@@H](C)c1cccc(CO)c1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000121699591 494840983 /nfs/dbraw/zinc/84/09/83/494840983.db2.gz SACSNVLXUDUYSK-DLBZAZTESA-N 2 0 371.500 3.482 20 0 FGADRP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)c1ccc(Br)cc1F ZINC000126852402 494849352 /nfs/dbraw/zinc/84/93/52/494849352.db2.gz GBJLAPZGWMNJIG-DZGCQCFKSA-N 2 0 373.310 3.476 20 0 FGADRP Cc1cc2c(cc1C)[C@@H]([NH2+]C[C@@H](C(C)C)N1CC[NH+](C)CC1)CCCO2 ZINC000132488689 494882655 /nfs/dbraw/zinc/88/26/55/494882655.db2.gz ZTRINBDUJCKTLS-SFTDATJTSA-N 2 0 359.558 3.379 20 0 FGADRP CN1CC[NH+](CCCC[NH2+]C2CC[NH+](C(C)(C)CC(C)(C)C)CC2)CC1 ZINC000580396144 505748833 /nfs/dbraw/zinc/74/88/33/505748833.db2.gz HHTCCQNGMTXNPR-UHFFFAOYSA-N 3 0 366.638 3.283 20 0 FGADRP CCC[NH+]1CCN(c2ccccc2C[N@H+](C)[C@@H]2CCN(C)[C@H](C)C2)CC1 ZINC000093644311 494906593 /nfs/dbraw/zinc/90/65/93/494906593.db2.gz JLTLTJORUSOTNN-TZIWHRDSSA-N 2 0 358.574 3.133 20 0 FGADRP Fc1ccccc1-c1n[nH]cc1C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000093735052 494914456 /nfs/dbraw/zinc/91/44/56/494914456.db2.gz WHFFBWWGZAQBTO-UHFFFAOYSA-N 2 0 372.488 3.293 20 0 FGADRP CCn1nc(C)c(C[NH+]2CCC(CC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)c1C ZINC000093844294 494926976 /nfs/dbraw/zinc/92/69/76/494926976.db2.gz BTCCQKZDQRXVPB-IRXDYDNUSA-N 2 0 362.562 3.231 20 0 FGADRP Cc1cccn2c(C[NH+]3CCC(CC[N@@H+]4C[C@@H](C)O[C@@H](C)C4)CC3)cnc12 ZINC000093844349 494927053 /nfs/dbraw/zinc/92/70/53/494927053.db2.gz UPHNPDMFSWAFBM-KDURUIRLSA-N 2 0 370.541 3.354 20 0 FGADRP C[C@H]([NH2+]CCN1CCc2sccc2C1)c1cccc(OCC[NH+](C)C)c1 ZINC000132850033 494932440 /nfs/dbraw/zinc/93/24/40/494932440.db2.gz NLGYMYNJKBYHDB-KRWDZBQOSA-N 2 0 373.566 3.397 20 0 FGADRP C[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccc(-n2ccnc2)cc1 ZINC000133041398 494959956 /nfs/dbraw/zinc/95/99/56/494959956.db2.gz YTYJCPJBCZYHGF-MSOLQXFVSA-N 2 0 354.498 3.024 20 0 FGADRP CC[N@H+](C)Cc1cccc(C[NH2+][C@@H](C)CS(=O)(=O)c2ccccc2)c1 ZINC000122346858 494961485 /nfs/dbraw/zinc/96/14/85/494961485.db2.gz NIXKAKFRHOGFKE-KRWDZBQOSA-N 2 0 360.523 3.090 20 0 FGADRP C[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccc(OC(F)F)cc1 ZINC000133097275 494968670 /nfs/dbraw/zinc/96/86/70/494968670.db2.gz MJCDXIOSRVLDTQ-GJZGRUSLSA-N 2 0 354.441 3.440 20 0 FGADRP C[C@H](C[NH2+][C@@H]1CCCOc2c(Cl)c(Cl)ccc21)N1CC[NH+](C)CC1 ZINC000127709385 494984958 /nfs/dbraw/zinc/98/49/58/494984958.db2.gz FUBUKBLRYGFRHD-CZUORRHYSA-N 2 0 372.340 3.433 20 0 FGADRP CC[C@H]([NH2+]C[C@H](C)N1CC[NH+](C)CC1)c1ccc(Br)cc1 ZINC000127811785 495002216 /nfs/dbraw/zinc/00/22/16/495002216.db2.gz GCBDWIWGFNBMMV-YOEHRIQHSA-N 2 0 354.336 3.126 20 0 FGADRP CC[C@@H]([NH2+]C[C@H](C)N1CC[NH+](C)CC1)c1ccc(Br)cc1 ZINC000127812044 495002471 /nfs/dbraw/zinc/00/24/71/495002471.db2.gz GCBDWIWGFNBMMV-WMLDXEAASA-N 2 0 354.336 3.126 20 0 FGADRP C[C@@H](C[NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1)c1ccc(F)cc1 ZINC000127860885 495009238 /nfs/dbraw/zinc/00/92/38/495009238.db2.gz VPSUSKUDWAVBLD-INIZCTEOSA-N 2 0 357.473 3.010 20 0 FGADRP C[C@@H](NCCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1ccc(Cl)c(Cl)c1 ZINC000128007389 495029934 /nfs/dbraw/zinc/02/99/34/495029934.db2.gz VTKXFVXVDORZFW-OCCSQVGLSA-N 2 0 358.313 3.231 20 0 FGADRP CC[NH+]1CCN(c2ccc(NC(=O)[C@H](C)[NH+]3[C@@H](C)CC[C@@H]3C)c(C)c2)CC1 ZINC000122808258 495034612 /nfs/dbraw/zinc/03/46/12/495034612.db2.gz BUIBQEINTDFENB-FHWLQOOXSA-N 2 0 372.557 3.337 20 0 FGADRP CC[NH+](CC)Cc1cccc(CNC(=O)N(C)[C@H]2CC[N@H+](CC)C[C@H]2C)c1 ZINC000128270979 495071286 /nfs/dbraw/zinc/07/12/86/495071286.db2.gz SPKRYGBVDSHYIV-NQIIRXRSSA-N 2 0 374.573 3.400 20 0 FGADRP C[C@H](CNC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)[N@H+](C)Cc1ccccc1 ZINC000111445476 495075311 /nfs/dbraw/zinc/07/53/11/495075311.db2.gz UWJYWLPFRADPHP-MRXNPFEDSA-N 2 0 360.546 3.115 20 0 FGADRP C[NH+](C)CCCC1CC[NH+](C[C@@H](O)COc2ccccc2Cl)CC1 ZINC000123192660 495094889 /nfs/dbraw/zinc/09/48/89/495094889.db2.gz XZFKSRFYLYUPSW-QGZVFWFLSA-N 2 0 354.922 3.134 20 0 FGADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)C1 ZINC000134150558 495113045 /nfs/dbraw/zinc/11/30/45/495113045.db2.gz OZGCEEPQXLMEGO-CTNGQTDRSA-N 2 0 372.557 3.101 20 0 FGADRP CC(C)[NH2+]C1CCN(C(=O)NCc2ccccc2C[N@H+](C)C(C)C)CC1 ZINC000111814098 495115288 /nfs/dbraw/zinc/11/52/88/495115288.db2.gz UCYVFEVZYPBCSQ-UHFFFAOYSA-N 2 0 360.546 3.199 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NCC(C)(C)[NH+]2C[C@H](C)C[C@H](C)C2)[C@H](C)C1 ZINC000128613521 495124667 /nfs/dbraw/zinc/12/46/67/495124667.db2.gz MOUPDWGPUZYMPJ-HCXYKTFWSA-N 2 0 366.594 3.115 20 0 FGADRP C[C@@H](NC(=O)NC1CC[NH+](C2CCCCC2)CC1)C(C)(C)C[NH+](C)C ZINC000119595949 495197736 /nfs/dbraw/zinc/19/77/36/495197736.db2.gz JRBSNNQUCWDDQQ-MRXNPFEDSA-N 2 0 352.567 3.059 20 0 FGADRP COc1ccc([C@H](C)[NH2+]Cc2ccnc(N3CC[NH+](C)CC3)c2)cc1Cl ZINC000112528908 495201461 /nfs/dbraw/zinc/20/14/61/495201461.db2.gz ZOHVJSSXJPYEGM-HNNXBMFYSA-N 2 0 374.916 3.346 20 0 FGADRP C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N(C)CC[NH+]2CCCC2)C1 ZINC000112742453 495233660 /nfs/dbraw/zinc/23/36/60/495233660.db2.gz AOIYTIYGQCDQIK-LJQANCHMSA-N 2 0 372.557 3.156 20 0 FGADRP Cc1sc([C@@H](C)[NH2+]CCN2CC[NH2+]CC2)nc1-c1ccc(Cl)cc1 ZINC000568749288 505769397 /nfs/dbraw/zinc/76/93/97/505769397.db2.gz PYECXVJGLMTUSW-CYBMUJFWSA-N 2 0 364.946 3.328 20 0 FGADRP COC[C@H]1CCC[NH+](Cc2ccccc2C[N@H+]2CCC[C@H](COC)C2)C1 ZINC000112985382 495264311 /nfs/dbraw/zinc/26/43/11/495264311.db2.gz YEPOFGYSAPNOBW-PMACEKPBSA-N 2 0 360.542 3.403 20 0 FGADRP C[C@H]([NH2+]C1(CNC(=O)NCC2CC[NH+](C)CC2)CCCC1)c1ccccc1 ZINC000113616678 495321046 /nfs/dbraw/zinc/32/10/46/495321046.db2.gz CQAMJVDMUUFRJC-SFHVURJKSA-N 2 0 372.557 3.291 20 0 FGADRP C[C@H]([NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1)c1ccc2c(c1)OCCO2 ZINC000124707669 495330943 /nfs/dbraw/zinc/33/09/43/495330943.db2.gz PPRFQTCKYFSKKE-SFHVURJKSA-N 2 0 373.541 3.059 20 0 FGADRP CC[N@H+](C)Cc1cccc(CNC(=O)NC[C@@H](C(C)C)[NH+]2CCCC2)c1 ZINC000105207413 495345652 /nfs/dbraw/zinc/34/56/52/495345652.db2.gz XPYGVBDQYSUKFV-FQEVSTJZSA-N 2 0 360.546 3.058 20 0 FGADRP CC(C)[NH+]1CCC(NC(=O)C[N@@H+](Cc2ccccc2)CC2CCC2)CC1 ZINC000114455665 495376282 /nfs/dbraw/zinc/37/62/82/495376282.db2.gz GWOYBBLEKGQQDE-UHFFFAOYSA-N 2 0 357.542 3.278 20 0 FGADRP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@H]2CCc2ccccc2)CC1 ZINC000114455412 495377005 /nfs/dbraw/zinc/37/70/05/495377005.db2.gz HVYAMUWBXHWJAZ-NRFANRHFSA-N 2 0 357.542 3.073 20 0 FGADRP CC[NH+](CC)Cc1ccccc1CNC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000136577380 495387885 /nfs/dbraw/zinc/38/78/85/495387885.db2.gz XKHHZOJXYYFEMH-RTWAWAEBSA-N 2 0 372.557 3.154 20 0 FGADRP C[C@@H](C[C@@H](O)c1ccco1)[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000130465884 495395730 /nfs/dbraw/zinc/39/57/30/495395730.db2.gz BEJZOMXUDMTHDY-LAUBAEHRSA-N 2 0 371.525 3.412 20 0 FGADRP Cc1cccc(C[C@@H]([NH2+]Cc2ccc(N3CC[NH+](C)CC3)nc2)C2CC2)c1 ZINC000130533109 495406933 /nfs/dbraw/zinc/40/69/33/495406933.db2.gz WMJLWTIRTFMXCB-JOCHJYFZSA-N 2 0 364.537 3.253 20 0 FGADRP CCn1cc([C@@H](C)[NH2+]CCCC[NH+]2CCN(c3cccc(C)c3)CC2)cn1 ZINC000125322881 495425962 /nfs/dbraw/zinc/42/59/62/495425962.db2.gz DKRMWZKEYCBUTP-HXUWFJFHSA-N 2 0 369.557 3.464 20 0 FGADRP C[NH+](C)CC1CCC(NC(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)CC1 ZINC000125434424 495444346 /nfs/dbraw/zinc/44/43/46/495444346.db2.gz VYUGKEDUVREQTD-MNLRITNHSA-N 2 0 372.557 3.243 20 0 FGADRP CCOc1ccccc1NC(=O)CC[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000137570241 495445784 /nfs/dbraw/zinc/44/57/84/495445784.db2.gz KOFZAWXJPKMFSX-GOSISDBHSA-N 2 0 359.514 3.364 20 0 FGADRP C[C@H](c1ccncc1)N1CCC([NH2+][C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000131016975 495479981 /nfs/dbraw/zinc/47/99/81/495479981.db2.gz SMDYCHPJAXWOKN-APWZRJJASA-N 2 0 374.529 3.206 20 0 FGADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)CC(=O)Nc2cccnc2Cl)C1 ZINC000125728886 495488939 /nfs/dbraw/zinc/48/89/39/495488939.db2.gz YWXHKOFFUBXIKH-LSDHHAIUSA-N 2 0 352.910 3.162 20 0 FGADRP CC[N@H+](C)Cc1cccc(CNC(=O)NC[C@H](C)[NH+]2CCC[C@H](C)C2)c1 ZINC000140554614 495497539 /nfs/dbraw/zinc/49/75/39/495497539.db2.gz ZIORLKPSXKDHNT-ROUUACIJSA-N 2 0 360.546 3.058 20 0 FGADRP CC[C@@H]([NH2+]C[C@@H](C)CN1CC[NH+](C)CC1)c1ccccc1OC(F)F ZINC000121001065 495500376 /nfs/dbraw/zinc/50/03/76/495500376.db2.gz GWNCVHNJRATQOQ-NVXWUHKLSA-N 2 0 355.473 3.212 20 0 FGADRP CC[NH+]1CCN([C@H]2CC[N@@H+]([C@@H](C)c3ccc(C(F)(F)F)cc3)C2)CC1 ZINC000107368732 495526044 /nfs/dbraw/zinc/52/60/44/495526044.db2.gz VDAKJPOWLBTDIF-YJBOKZPZSA-N 2 0 355.448 3.478 20 0 FGADRP CC[NH+]1CCN([C@@H]2CC[N@H+](CCOc3ccc(C(C)C)c(C)c3)C2)CC1 ZINC000107369693 495526189 /nfs/dbraw/zinc/52/61/89/495526189.db2.gz OLLWEJYOSIXVDS-HXUWFJFHSA-N 2 0 359.558 3.209 20 0 FGADRP C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000580568707 505788263 /nfs/dbraw/zinc/78/82/63/505788263.db2.gz NYLOEDJPUIXBIA-YUVXSKOASA-N 2 0 369.553 3.372 20 0 FGADRP C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)N(C)CCC[NH+](C)C)C1 ZINC000185353965 495544510 /nfs/dbraw/zinc/54/45/10/495544510.db2.gz DSNKRLOJZJDTDN-OALUTQOASA-N 2 0 374.573 3.258 20 0 FGADRP CC[NH+](CC)CC(=O)NCc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000145208719 495554443 /nfs/dbraw/zinc/55/44/43/495554443.db2.gz OOXWJLBXFWQHBE-UHFFFAOYSA-N 2 0 353.510 3.373 20 0 FGADRP CC[NH+]1CCN(CCC[NH2+][C@H](C)c2ccc(F)cc2Br)CC1 ZINC000154253626 495557890 /nfs/dbraw/zinc/55/78/90/495557890.db2.gz CWEZASKDXRZFBV-CQSZACIVSA-N 2 0 372.326 3.266 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+][C@@H]2CCN(Cc3ccccn3)C[C@@H]2C)C1 ZINC000158683946 495566789 /nfs/dbraw/zinc/56/67/89/495566789.db2.gz NSUJBXLGGBIWBB-CUXKYVRBSA-N 2 0 358.574 3.250 20 0 FGADRP O=C(Nc1ccc2c(c1)C[NH2+]C2)c1ccc(C[NH+]2CCSCC2)cc1 ZINC000571679220 505789663 /nfs/dbraw/zinc/78/96/63/505789663.db2.gz AIHHMNNILWPGGW-UHFFFAOYSA-N 2 0 353.491 3.091 20 0 FGADRP CCCC[N@H+](C)CC1CCN(C(=O)NC2CC[NH+](CCCC)CC2)CC1 ZINC000158705597 495571870 /nfs/dbraw/zinc/57/18/70/495571870.db2.gz ZTRXIPOPVZTFFC-UHFFFAOYSA-N 2 0 366.594 3.404 20 0 FGADRP C[C@H]1C[NH+](Cc2ccc(C[NH2+]Cc3cc(O)cc(F)c3)cc2)C[C@H](C)O1 ZINC000185458217 495584266 /nfs/dbraw/zinc/58/42/66/495584266.db2.gz KFZXYRBMLYJBRK-HOTGVXAUSA-N 2 0 358.457 3.430 20 0 FGADRP Cc1cc(NC(=O)[C@H]2CCCC[C@@]2(C)[NH3+])cc(N2CC[NH+](C(C)C)CC2)c1 ZINC000574516954 505790589 /nfs/dbraw/zinc/79/05/89/505790589.db2.gz LHUYMTVZFFPWRX-IFMALSPDSA-N 2 0 372.557 3.372 20 0 FGADRP C[N@@H+]1CCC[C@@H]2CN(Cc3cccc(C(=O)N4CCCCC4)c3)CC[C@@H]21 ZINC000158772954 495586583 /nfs/dbraw/zinc/58/65/83/495586583.db2.gz HITLBRSBWUIGKS-RTWAWAEBSA-N 2 0 355.526 3.229 20 0 FGADRP CCc1ccc([C@H](C)NC(=O)[C@H](C)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)cc1 ZINC000158787675 495588915 /nfs/dbraw/zinc/58/89/15/495588915.db2.gz VWRHHWWORKBIEA-ZCLUNYJNSA-N 2 0 357.542 3.231 20 0 FGADRP CC[NH+](CC)CC(=O)NC[C@@H](c1ccccc1)N1CCc2sccc2C1 ZINC000149316113 495593159 /nfs/dbraw/zinc/59/31/59/495593159.db2.gz WLRXMIZVBICTTJ-IBGZPJMESA-N 2 0 371.550 3.306 20 0 FGADRP C[N@H+](Cc1ccccc1C[NH2+][C@@H]1CCCS(=O)(=O)C1)C1CCCCC1 ZINC000182534252 495602999 /nfs/dbraw/zinc/60/29/99/495602999.db2.gz WHRCSWFSJPYMTM-LJQANCHMSA-N 2 0 364.555 3.118 20 0 FGADRP C[C@@H]([NH2+]CC1CCN(c2cc[nH+]cc2)CC1)c1ccc(-n2cncn2)cc1 ZINC000179469204 495603808 /nfs/dbraw/zinc/60/38/08/495603808.db2.gz MGNAEJHLEAOKKI-QGZVFWFLSA-N 2 0 362.481 3.230 20 0 FGADRP Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+]CCCC[NH+]1CCN(C)CC1 ZINC000154397067 495604644 /nfs/dbraw/zinc/60/46/44/495604644.db2.gz FWSXQYVQZTXYQU-INIZCTEOSA-N 2 0 373.570 3.192 20 0 FGADRP C[C@@H]([NH2+]CCCC[NH+]1CCN(C)CC1)c1cccc(OC(F)(F)F)c1 ZINC000154437581 495616027 /nfs/dbraw/zinc/61/60/27/495616027.db2.gz QWOXHFPERPRLFG-OAHLLOKOSA-N 2 0 359.436 3.263 20 0 FGADRP CC(C)N(CC[NH+](C)C)C(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000158983846 495630679 /nfs/dbraw/zinc/63/06/79/495630679.db2.gz OQHPYPOCZQPTRX-SFHVURJKSA-N 2 0 360.546 3.194 20 0 FGADRP Cc1cccc(C[C@H](CO)[NH2+][C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000580602553 505794226 /nfs/dbraw/zinc/79/42/26/505794226.db2.gz JYPNHYJLZHBADH-WWPVKYPJSA-N 2 0 352.522 3.399 20 0 FGADRP C[C@H](C(=O)N(C)CC1CCN(c2cc[nH+]cc2)CC1)[NH+]1CCCCCC1 ZINC000154503895 495637329 /nfs/dbraw/zinc/63/73/29/495637329.db2.gz FRLXSYLRSUJOQD-GOSISDBHSA-N 2 0 358.530 3.021 20 0 FGADRP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N[C@@H](C)[C@@H]2CCC[NH+](C3CCC3)C2)C1 ZINC000182616597 495637396 /nfs/dbraw/zinc/63/73/96/495637396.db2.gz SICLVNLENVDZGT-GBESFXJTSA-N 2 0 364.578 3.059 20 0 FGADRP CC(C)[C@H](CNC(=O)N[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)[NH+]1CCCC1 ZINC000182616279 495637596 /nfs/dbraw/zinc/63/75/96/495637596.db2.gz FCDLEITZFMUFCL-GGPKGHCWSA-N 2 0 364.578 3.059 20 0 FGADRP Cc1ccc(OC[C@H](O)C[NH2+]C[C@H]2CCCN(C)[C@@H]2c2cccs2)cc1 ZINC000568858007 505794906 /nfs/dbraw/zinc/79/49/06/505794906.db2.gz YREKXBIURKFRAE-OPYAIIAOSA-N 2 0 374.550 3.469 20 0 FGADRP CC[C@H]1[C@H](C)CC[N@@H+]1CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000185631655 495654398 /nfs/dbraw/zinc/65/43/98/495654398.db2.gz KEQKMWZYKKRJGZ-APWZRJJASA-N 2 0 361.555 3.294 20 0 FGADRP COCCC[NH+]1CCC([NH2+]C2CCN(c3ccc(Cl)cc3)CC2)CC1 ZINC000159130197 495665968 /nfs/dbraw/zinc/66/59/68/495665968.db2.gz VZANDJONSVTLBH-UHFFFAOYSA-N 2 0 365.949 3.399 20 0 FGADRP COc1ccc([C@@H](C)[C@H](C)[NH2+]Cc2ccnc(N3CC[NH+](C)CC3)c2)cc1 ZINC000159176973 495676951 /nfs/dbraw/zinc/67/69/51/495676951.db2.gz MSLNDTKCBQGBFC-ROUUACIJSA-N 2 0 368.525 3.124 20 0 FGADRP CC[N@H+](C)[C@@H](C(=O)NCc1ccc(C[NH+](C)C)c(F)c1)c1ccccc1 ZINC000154638590 495680481 /nfs/dbraw/zinc/68/04/81/495680481.db2.gz VNMHBCLGNZUERF-HXUWFJFHSA-N 2 0 357.473 3.197 20 0 FGADRP C[C@@H](NC(=O)NC1CCC(C[NH+](C)C)CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182761974 495693090 /nfs/dbraw/zinc/69/30/90/495693090.db2.gz YJCUSLRGFAITOT-RRENTHDGSA-N 2 0 364.578 3.059 20 0 FGADRP COc1cc([C@@H](C)[NH2+]C2CCN(CC[NH+](C)C)CC2)ccc1SC ZINC000150986667 495703607 /nfs/dbraw/zinc/70/36/07/495703607.db2.gz IAPSVRFVTZFMQB-OAHLLOKOSA-N 2 0 351.560 3.094 20 0 FGADRP COc1cc(OC)c([C@H](C)[NH2+]C2CCN(CC[NH+](C)C)CC2)cc1Cl ZINC000150992776 495705965 /nfs/dbraw/zinc/70/59/65/495705965.db2.gz KTJSUIUCQXHHTA-AWEZNQCLSA-N 2 0 369.937 3.034 20 0 FGADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCC[C@H]3C[NH+](C)CC[C@@H]32)C1 ZINC000182828614 495718946 /nfs/dbraw/zinc/71/89/46/495718946.db2.gz DSOVUVYXQCGSSL-QYZOEREBSA-N 2 0 364.578 3.013 20 0 FGADRP c1c(C[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)c(-c2cccnc2)nn1-c1ccccc1 ZINC000577829167 505799558 /nfs/dbraw/zinc/79/95/58/505799558.db2.gz XGPSICWSKQHZHT-FCHUYYIVSA-N 2 0 373.504 3.412 20 0 FGADRP CC[N@H+](C)C[C@@H]1CCN(C[C@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000173883881 495730818 /nfs/dbraw/zinc/73/08/18/495730818.db2.gz SKELIQBRAYTHSQ-KBPBESRZSA-N 2 0 361.313 3.007 20 0 FGADRP C[C@H](NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000182879022 495739502 /nfs/dbraw/zinc/73/95/02/495739502.db2.gz HHTBEBWYFKHURI-IPMKNSEASA-N 2 0 361.574 3.410 20 0 FGADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1cc(C(F)(F)F)ccc1Cl ZINC000185880440 495762759 /nfs/dbraw/zinc/76/27/59/495762759.db2.gz HEIKTKBUNZADBD-CYBMUJFWSA-N 2 0 363.855 3.474 20 0 FGADRP Cc1c([C@H](C)[NH2+][C@H](C)CN2CC[NH+](C)CC2)cnn1-c1cc(C)ccc1C ZINC000154902336 495766550 /nfs/dbraw/zinc/76/65/50/495766550.db2.gz RPQKURMFAMCAJC-MOPGFXCFSA-N 2 0 369.557 3.084 20 0 FGADRP Cc1ccccc1NC(=O)[C@H](C)[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000182952070 495772471 /nfs/dbraw/zinc/77/24/71/495772471.db2.gz NOGUGKGLGPYUNT-IBGZPJMESA-N 2 0 373.541 3.146 20 0 FGADRP c1cnn(-c2ccc(C[NH+]3CCC(CCC[NH+]4CCOCC4)CC3)cc2)c1 ZINC000182961490 495775985 /nfs/dbraw/zinc/77/59/85/495775985.db2.gz VVIBPRURBFKATB-UHFFFAOYSA-N 2 0 368.525 3.197 20 0 FGADRP C[C@@H]1C[N@@H+](CC2CCN(Cc3nc(-c4ccccc4)no3)CC2)C[C@H](C)O1 ZINC000171307152 495813538 /nfs/dbraw/zinc/81/35/38/495813538.db2.gz CLASFJSKXPRCIU-CALCHBBNSA-N 2 0 370.497 3.058 20 0 FGADRP CC(C)Cn1ccnc1CNC(=O)N[C@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000577855214 505805355 /nfs/dbraw/zinc/80/53/55/505805355.db2.gz JRNHUPUKZRLWNG-OAQYLSRUSA-N 2 0 369.513 3.003 20 0 FGADRP CCC[C@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)c1cccnc1 ZINC000186060170 495840775 /nfs/dbraw/zinc/84/07/75/495840775.db2.gz KOZHQRYJSHXQMR-FQEVSTJZSA-N 2 0 354.498 3.004 20 0 FGADRP c1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH2+]C[C@@H]4CC[NH+](C5CC5)C4)[C@@H]3C2)cc1 ZINC000183128467 495846734 /nfs/dbraw/zinc/84/67/34/495846734.db2.gz VWQRCBDBJJCKRV-RLBLXZPPSA-N 3 0 353.554 3.361 20 0 FGADRP CC[C@H](C)NC(=O)CC[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000183132570 495848116 /nfs/dbraw/zinc/84/81/16/495848116.db2.gz VYFWVFOZMZFIJX-ZIBCJSCZSA-N 2 0 357.542 3.182 20 0 FGADRP CC(C)[NH2+]C1CCN(C(=O)NC[C@@H](C2CC2)[N@H+](C)Cc2ccccc2)CC1 ZINC000186271404 495922581 /nfs/dbraw/zinc/92/25/81/495922581.db2.gz YQRZXDLKTCBQDI-NRFANRHFSA-N 2 0 372.557 3.069 20 0 FGADRP O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000171677952 495986355 /nfs/dbraw/zinc/98/63/55/495986355.db2.gz VUKAFXCWYOTQPY-OALUTQOASA-N 2 0 374.529 3.076 20 0 FGADRP C[NH+](C)Cc1cccc(C(=O)Nc2nc(CN3CCCCC3)cs2)c1 ZINC000155609402 496011518 /nfs/dbraw/zinc/01/15/18/496011518.db2.gz IOMKNNBQBVDAGJ-UHFFFAOYSA-N 2 0 358.511 3.443 20 0 FGADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H](C)c2ccc(F)cc2Br)CC1 ZINC000155617023 496013208 /nfs/dbraw/zinc/01/32/08/496013208.db2.gz LEJFMYGEGUYTHJ-UONOGXRCSA-N 2 0 372.326 3.265 20 0 FGADRP CCc1nc2c(s1)[C@@H]([NH2+]Cc1ccncc1OCC[NH+](C)C)CCC2 ZINC000577895668 505813635 /nfs/dbraw/zinc/81/36/35/505813635.db2.gz SJNQLRPASQRFHK-HNNXBMFYSA-N 2 0 360.527 3.208 20 0 FGADRP C[C@H](C(=O)Nc1ccccc1NC1CC[NH+](C)CC1)[NH+]1CCCCCC1 ZINC000155663261 496028645 /nfs/dbraw/zinc/02/86/45/496028645.db2.gz CPYVWCBFEZFJOQ-QGZVFWFLSA-N 2 0 358.530 3.396 20 0 FGADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H](C)c2nc(-c3ccccc3)cs2)CC1 ZINC000155727049 496048531 /nfs/dbraw/zinc/04/85/31/496048531.db2.gz DCKAFLKZGFHAGV-DLBZAZTESA-N 2 0 358.555 3.487 20 0 FGADRP C[C@@H]([NH2+][C@@H](C)CCN1CC[NH+](C)CC1)c1ccc(F)cc1OC(F)F ZINC000186586314 496058399 /nfs/dbraw/zinc/05/83/99/496058399.db2.gz UWNXSKYUWIAZFM-UONOGXRCSA-N 2 0 359.436 3.104 20 0 FGADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H](C)c2cccc(-c3ccncc3)c2)CC1 ZINC000155757890 496058613 /nfs/dbraw/zinc/05/86/13/496058613.db2.gz BIHKGNCYWICSBN-RBUKOAKNSA-N 2 0 352.526 3.425 20 0 FGADRP C[C@H]1CCN(Cc2cnc3ccc(Br)cn23)C[C@@H]1n1ccnc1 ZINC000180608089 496065811 /nfs/dbraw/zinc/06/58/11/496065811.db2.gz YLRNVIFFXXHIEU-BBRMVZONSA-N 2 0 374.286 3.376 20 0 FGADRP c1nc(-c2ccccc2)[nH]c1C[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000180795927 496150381 /nfs/dbraw/zinc/15/03/81/496150381.db2.gz HQQXETQUJDTEDG-UHFFFAOYSA-N 2 0 368.525 3.401 20 0 FGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+]Cc2ccc(Oc3ccccc3)o2)CC1 ZINC000180871760 496180963 /nfs/dbraw/zinc/18/09/63/496180963.db2.gz KPGIYAUMLKFGOX-GOSISDBHSA-N 2 0 357.498 3.435 20 0 FGADRP CCCOc1ccc([C@@H](C)[NH2+]Cc2ccc(N3CC[NH+](C)CC3)nc2)cc1 ZINC000177828042 496212829 /nfs/dbraw/zinc/21/28/29/496212829.db2.gz KMBVGMJZEKHARL-GOSISDBHSA-N 2 0 368.525 3.473 20 0 FGADRP CC[N@H+](C)C[C@H]1CCN(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000177846157 496220712 /nfs/dbraw/zinc/22/07/12/496220712.db2.gz VPGRAIPIQFJDEO-OAQYLSRUSA-N 2 0 372.557 3.156 20 0 FGADRP CC(C)[C@H](Cc1ccccc1)[NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000187014248 496252106 /nfs/dbraw/zinc/25/21/06/496252106.db2.gz FRAKKSRBCYLBKS-NRFANRHFSA-N 2 0 352.526 3.190 20 0 FGADRP CC[NH+](CC)Cc1cccc(CNC(=O)N2CC[C@@H]([NH+](CC)CC)C2)c1 ZINC000175199703 496288569 /nfs/dbraw/zinc/28/85/69/496288569.db2.gz SQZGUSFJBDMVEW-HXUWFJFHSA-N 2 0 360.546 3.154 20 0 FGADRP CC[NH+](CC)CCCNC(=O)C1CC[NH+](Cc2cc(C)sc2C)CC1 ZINC000172431918 496295705 /nfs/dbraw/zinc/29/57/05/496295705.db2.gz UYYKXFAXVHAINJ-UHFFFAOYSA-N 2 0 365.587 3.425 20 0 FGADRP C[C@@H](CC(=O)Nc1cccc(F)c1)[NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000178033800 496296467 /nfs/dbraw/zinc/29/64/67/496296467.db2.gz AEZNJUXZZSOCFY-YESZJQIVSA-N 2 0 365.493 3.022 20 0 FGADRP C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)[C@](C)([NH3+])c2ccccc2)CC1 ZINC000580776104 505835676 /nfs/dbraw/zinc/83/56/76/505835676.db2.gz MKWVOTCOIFPWKY-PGRDOPGGSA-N 2 0 357.542 3.364 20 0 FGADRP Cc1cc2occ(C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)c2cc1C ZINC000184273483 496314057 /nfs/dbraw/zinc/31/40/57/496314057.db2.gz FCKZGILLQGUOIH-UHFFFAOYSA-N 2 0 359.514 3.395 20 0 FGADRP CC[NH+]1CCC(CC[NH2+]Cc2cccc(Cl)c2S(=O)(=O)CC)CC1 ZINC000187267393 496369447 /nfs/dbraw/zinc/36/94/47/496369447.db2.gz ODEOWQWWPJGMOI-UHFFFAOYSA-N 2 0 372.962 3.345 20 0 FGADRP C[C@H]([NH2+]CCc1ccc2c(c1)CCO2)c1cccc(OCC[NH+](C)C)c1 ZINC000178233003 496379753 /nfs/dbraw/zinc/37/97/53/496379753.db2.gz LXGCISSUHSWLKN-KRWDZBQOSA-N 2 0 354.494 3.455 20 0 FGADRP C[C@@H]([NH2+]CCN1CCC([NH+](C)C)CC1)c1cc(Br)ccc1F ZINC000178289775 496399555 /nfs/dbraw/zinc/39/95/55/496399555.db2.gz INDGECGLOOWICG-CYBMUJFWSA-N 2 0 372.326 3.265 20 0 FGADRP C[C@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]CCC[N@H+](C)Cc1ccccc1 ZINC000162765610 496409289 /nfs/dbraw/zinc/40/92/89/496409289.db2.gz SMLKGKFZYLOLQR-REWPJTCUSA-N 2 0 366.553 3.404 20 0 FGADRP CC(C)(C)C1CCC(C[N@@H+]2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)CC1 ZINC000578022158 505843415 /nfs/dbraw/zinc/84/34/15/505843415.db2.gz SFRNMCRGBLFAHS-CQJJOKNBSA-N 2 0 363.590 3.419 20 0 FGADRP CC(C)C[C@H](CNC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1)[NH+](C)C ZINC000153362032 496430959 /nfs/dbraw/zinc/43/09/59/496430959.db2.gz QMPXAFACWWCYGF-HXUWFJFHSA-N 2 0 359.558 3.381 20 0 FGADRP C[NH+](C)[C@H](CNC(=O)C[N@@H+]1CCC[C@@H]1c1ccccc1)c1ccccc1 ZINC000184566594 496442620 /nfs/dbraw/zinc/44/26/20/496442620.db2.gz YVTVJQATZMHCEW-NHCUHLMSSA-N 2 0 351.494 3.243 20 0 FGADRP C[NH+](C)[C@@H](CNC(=O)C[NH2+]C1(c2ccccc2)CCC1)c1ccccc1 ZINC000184596485 496457136 /nfs/dbraw/zinc/45/71/36/496457136.db2.gz OVTKUIVQZWMESZ-FQEVSTJZSA-N 2 0 351.494 3.075 20 0 FGADRP CC(C)N(CC[NH+](C)C)C(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000157452518 496479870 /nfs/dbraw/zinc/47/98/70/496479870.db2.gz YPKOKVACMQTXJV-UHFFFAOYSA-N 2 0 374.573 3.400 20 0 FGADRP CSC1(C[NH2+]Cc2nc3cc(Cl)ccc3n2C)CC[NH+](C)CC1 ZINC000571929444 505847639 /nfs/dbraw/zinc/84/76/39/505847639.db2.gz HSOCVEHIFMKHIO-UHFFFAOYSA-N 2 0 352.935 3.144 20 0 FGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H](C)c2cc3cccc(OC)c3o2)CC1 ZINC000181692728 496505011 /nfs/dbraw/zinc/50/50/11/496505011.db2.gz VCIRDRQJQQGKRO-IAGOWNOFSA-N 2 0 359.514 3.366 20 0 FGADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000175732781 496520563 /nfs/dbraw/zinc/52/05/63/496520563.db2.gz CKWVEEOBLHHPPQ-UXHICEINSA-N 2 0 360.546 3.199 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(F)cc1Cl ZINC000157665106 496525402 /nfs/dbraw/zinc/52/54/02/496525402.db2.gz DMBZTJBPBBBQOQ-OAHLLOKOSA-N 2 0 370.900 3.359 20 0 FGADRP C[C@@H](C[NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)c1cccc(Cl)c1 ZINC000187673622 496530306 /nfs/dbraw/zinc/53/03/06/496530306.db2.gz NSEWAKOPBAHQFH-INIZCTEOSA-N 2 0 358.917 3.380 20 0 FGADRP CC[NH+](CC)Cc1ccc(C[NH2+][C@@H](C)c2ccc(-n3cnnn3)cc2)cc1 ZINC000163579773 496533776 /nfs/dbraw/zinc/53/37/76/496533776.db2.gz AWXQBAWFVYUSLA-KRWDZBQOSA-N 2 0 364.497 3.355 20 0 FGADRP CC[C@H]([NH2+]CCC(=O)N1CCN(C)CC1)c1ccc(Cl)c(Cl)c1 ZINC000178669225 496534292 /nfs/dbraw/zinc/53/42/92/496534292.db2.gz WFGNAMRENXEBIK-INIZCTEOSA-N 2 0 358.313 3.198 20 0 FGADRP COc1ccc2c(c1)[C@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)CCCS2 ZINC000187750548 496556079 /nfs/dbraw/zinc/55/60/79/496556079.db2.gz LKCYBOLYAFQALF-LJQANCHMSA-N 2 0 363.571 3.238 20 0 FGADRP Cc1cc(C[NH2+]C[C@@H](c2cccs2)N2CCN(C)CC2)cc(C)c1O ZINC000574777143 505852928 /nfs/dbraw/zinc/85/29/28/505852928.db2.gz HPFNXHGWFXDYSK-SFHVURJKSA-N 2 0 359.539 3.149 20 0 FGADRP COc1ccc(C[NH+]2CCC(C[NH2+][C@H](C)c3nccnc3C)CC2)cc1 ZINC000187893364 496610929 /nfs/dbraw/zinc/61/09/29/496610929.db2.gz ZQYOVUNQUNILIA-QGZVFWFLSA-N 2 0 354.498 3.356 20 0 FGADRP O[C@H](COc1ccccc1F)C[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000178918163 496616248 /nfs/dbraw/zinc/61/62/48/496616248.db2.gz XWUITYPHORPBLL-IBGZPJMESA-N 2 0 364.505 3.153 20 0 FGADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](Cc2cccc3cccnc32)CC1 ZINC000153911760 496621849 /nfs/dbraw/zinc/62/18/49/496621849.db2.gz JEUANSOLJIHQFC-KDURUIRLSA-N 2 0 352.526 3.225 20 0 FGADRP Cc1ccc(C[C@H](CO)[NH2+][C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000571960599 505855569 /nfs/dbraw/zinc/85/55/69/505855569.db2.gz PAIKRGVLVOPWOC-WWPVKYPJSA-N 2 0 352.522 3.399 20 0 FGADRP CC[C@@H](C(=O)NCc1ccc(C[NH+](C)C)c(F)c1)[N@H+](C)Cc1ccccc1 ZINC000580865277 505855667 /nfs/dbraw/zinc/85/56/67/505855667.db2.gz RTAWSMNNOJHSAV-NRFANRHFSA-N 2 0 371.500 3.414 20 0 FGADRP C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000158099909 496626315 /nfs/dbraw/zinc/62/63/15/496626315.db2.gz ZHIOMLWLAQWWCU-KBPBESRZSA-N 2 0 368.319 3.098 20 0 FGADRP C[C@@H](c1ccc(Br)cc1)N1CC[NH+](CC2CC[NH2+]CC2)CC1 ZINC000178981935 496635672 /nfs/dbraw/zinc/63/56/72/496635672.db2.gz QTAJEHAHOHIPHX-HNNXBMFYSA-N 2 0 366.347 3.127 20 0 FGADRP O=C(NC1CC[NH+](C2CCCC2)CC1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000176027567 496649100 /nfs/dbraw/zinc/64/91/00/496649100.db2.gz RYFKFNPBQYAMSU-FQEVSTJZSA-N 2 0 362.562 3.053 20 0 FGADRP C[N@@H+]1CC[C@H](NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)[C@H]1c1ccccc1 ZINC000179093068 496672730 /nfs/dbraw/zinc/67/27/30/496672730.db2.gz BXPHPYJJPGRYAX-ZWKOTPCHSA-N 2 0 358.530 3.040 20 0 FGADRP CC1(C(=O)N2CCC([NH+]3CCCC3)CC2)CC[NH+](Cc2ccccc2)CC1 ZINC000182138054 496685574 /nfs/dbraw/zinc/68/55/74/496685574.db2.gz YNHMTBYXDJXTFP-UHFFFAOYSA-N 2 0 369.553 3.376 20 0 FGADRP CC(=O)Nc1ccc([C@H](C)[NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)cc1 ZINC000182155875 496691487 /nfs/dbraw/zinc/69/14/87/496691487.db2.gz ZKWADCMPYIHWMF-JHVJFLLYSA-N 2 0 359.514 3.064 20 0 FGADRP C[C@@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)C(C)(C)c1ccccc1 ZINC000158435664 496701595 /nfs/dbraw/zinc/70/15/95/496701595.db2.gz WYAKLZUCXDZQNI-GOSISDBHSA-N 2 0 352.526 3.289 20 0 FGADRP CC[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1ccc2c(c1)CCO2 ZINC000182258921 496722230 /nfs/dbraw/zinc/72/22/30/496722230.db2.gz OIGOEJIPSGCMMQ-FCHUYYIVSA-N 2 0 366.505 3.429 20 0 FGADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CCC[C@@H]2c2ccc3c(c2)OCCO3)CC1 ZINC000191408337 496753318 /nfs/dbraw/zinc/75/33/18/496753318.db2.gz KWXSTAPGRNAQKT-HXUWFJFHSA-N 2 0 373.541 3.011 20 0 FGADRP Cc1nc(-c2cccc(NC(=O)CN(C)[C@@H]3CC[N@H+](C)[C@@H](C)C3)c2)cs1 ZINC000247024191 496755722 /nfs/dbraw/zinc/75/57/22/496755722.db2.gz UQUASWAYLVHTEE-KBXCAEBGSA-N 2 0 372.538 3.472 20 0 FGADRP Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)CC1CC[NH+](C)CC1 ZINC000273269575 496758679 /nfs/dbraw/zinc/75/86/79/496758679.db2.gz UXJFIAYQEFKOOI-UHFFFAOYSA-N 2 0 361.555 3.214 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC000247094967 496777812 /nfs/dbraw/zinc/77/78/12/496777812.db2.gz QAENTNUNZIWAGP-IYWMVGAKSA-N 2 0 364.578 3.155 20 0 FGADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N(CCC[NH+](C)C)Cc1ccc(Cl)c(Cl)c1 ZINC000571996606 505865826 /nfs/dbraw/zinc/86/58/26/505865826.db2.gz NDYBMCVGHRWLML-ZFWWWQNUSA-N 2 0 372.340 3.272 20 0 FGADRP Cc1ncc([C@H](C)[NH2+]Cc2cccc(CN3CCO[C@@H](C)C3)c2)c(C)n1 ZINC000268804434 496790531 /nfs/dbraw/zinc/79/05/31/496790531.db2.gz CELCFVGIMWTQLZ-HOTGVXAUSA-N 2 0 354.498 3.165 20 0 FGADRP COc1ccc2c(c1)[C@@H]([NH2+]Cc1ccnc(N3CC[NH+](C)CC3)c1)CCC2 ZINC000268803216 496790727 /nfs/dbraw/zinc/79/07/27/496790727.db2.gz ZINPASZRWCANII-NRFANRHFSA-N 2 0 366.509 3.009 20 0 FGADRP Cc1nn(C)cc1[C@H](C)[NH2+]Cc1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000247143057 496791550 /nfs/dbraw/zinc/79/15/50/496791550.db2.gz SJXLYBDFYUEXAL-ULQDDVLXSA-N 2 0 356.514 3.189 20 0 FGADRP Cc1ccc(C)c([C@@H]2C[N@@H+](CCCN3CC[NH+](C(C)C)CC3)[C@H](C)CO2)c1 ZINC000191512731 496792049 /nfs/dbraw/zinc/79/20/49/496792049.db2.gz OONIMEJUGNAGKP-GGAORHGYSA-N 2 0 373.585 3.481 20 0 FGADRP C[C@@H]([NH2+]C1CCN(c2ccccn2)CC1)c1ccc2c(c1)CCC(=O)N2 ZINC000268837254 496798871 /nfs/dbraw/zinc/79/88/71/496798871.db2.gz SQIPUAJLPVLTFY-OAHLLOKOSA-N 2 0 350.466 3.286 20 0 FGADRP Cc1nccn1CCC[NH2+][C@@H](C)c1ccc(OCc2nccn2C)cc1 ZINC000268836253 496799275 /nfs/dbraw/zinc/79/92/75/496799275.db2.gz GWHVMQVGWIKAPE-INIZCTEOSA-N 2 0 353.470 3.245 20 0 FGADRP C[C@@H](NCCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000247247602 496815717 /nfs/dbraw/zinc/81/57/17/496815717.db2.gz ZIWIWOOZNSGNLR-OWCLPIDISA-N 2 0 370.534 3.248 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)Cc2cccc(C(=O)NCc3ccco3)c2)[C@@H](C)C1 ZINC000247250361 496816853 /nfs/dbraw/zinc/81/68/53/496816853.db2.gz UKNXLLQJHDYGFA-UWJYYQICSA-N 2 0 369.509 3.372 20 0 FGADRP CC(C)[NH+]1CCN(CCC[NH+]2CCC(c3nc4ccccc4[nH]3)CC2)CC1 ZINC000191571456 496817101 /nfs/dbraw/zinc/81/71/01/496817101.db2.gz MZBWNPZXVMHCHN-UHFFFAOYSA-N 2 0 369.557 3.158 20 0 FGADRP Cc1ccccc1C[C@@H](CO)[NH2+][C@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000191574898 496818234 /nfs/dbraw/zinc/81/82/34/496818234.db2.gz RPRFUHHTOGGPCY-NQIIRXRSSA-N 2 0 356.510 3.190 20 0 FGADRP C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000247339979 496839258 /nfs/dbraw/zinc/83/92/58/496839258.db2.gz NRMCXXZMQUUWBI-KURKYZTESA-N 2 0 364.578 3.059 20 0 FGADRP C[C@H](CCNC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1)[NH+](C)Cc1ccccc1 ZINC000247351047 496841858 /nfs/dbraw/zinc/84/18/58/496841858.db2.gz YDNIJMUQNDPPPX-HLAWJBBLSA-N 2 0 372.557 3.023 20 0 FGADRP CN(c1ccccc1C[NH2+][C@H]1CCOC2(CCC2)C1)C1CC[NH+](C)CC1 ZINC000268996292 496844723 /nfs/dbraw/zinc/84/47/23/496844723.db2.gz XSALJAXRLJSYMO-IBGZPJMESA-N 2 0 357.542 3.408 20 0 FGADRP C[C@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1ccccc1OCc1ccccc1 ZINC000269003494 496845932 /nfs/dbraw/zinc/84/59/32/496845932.db2.gz PWFMLCKUUQHGAR-SFHVURJKSA-N 2 0 354.494 3.373 20 0 FGADRP Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@H]2[NH2+]CCCC[NH+](C)C)cc1 ZINC000273615840 496854296 /nfs/dbraw/zinc/85/42/96/496854296.db2.gz XJSUAHXKVNSTLW-RTBURBONSA-N 2 0 352.544 3.011 20 0 FGADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)C1 ZINC000247428791 496856830 /nfs/dbraw/zinc/85/68/30/496856830.db2.gz VXNKCEYNMOPAOS-WOJBJXKFSA-N 2 0 364.578 3.158 20 0 FGADRP CC[NH+](CC)CCOc1ccccc1NC(=O)C1CC[NH+](C2CC2)CC1 ZINC000195324405 496889297 /nfs/dbraw/zinc/88/92/97/496889297.db2.gz MGFFQUPQGZEGCI-UHFFFAOYSA-N 2 0 359.514 3.220 20 0 FGADRP O=C(C1CC[NH+](Cc2ccccc2)CC1)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000264394136 496890552 /nfs/dbraw/zinc/89/05/52/496890552.db2.gz AKRLYJIOELJHQB-JOCHJYFZSA-N 2 0 369.553 3.376 20 0 FGADRP FC(F)(F)c1cccc(CN2CCN(CC[NH+]3CCCCC3)CC2)c1 ZINC000247638695 496898225 /nfs/dbraw/zinc/89/82/25/496898225.db2.gz FVYJRQWNWWNIPX-UHFFFAOYSA-N 2 0 355.448 3.309 20 0 FGADRP CCc1cccc(C[NH+]2CCC(C(=O)NCCC[NH+](CC)CC)CC2)c1 ZINC000188765797 496902132 /nfs/dbraw/zinc/90/21/32/496902132.db2.gz PPDIVHYKONLALT-UHFFFAOYSA-N 2 0 359.558 3.309 20 0 FGADRP O=C(N1CCC[C@@H](C[NH+]2CCCCCC2)C1)[C@]1(c2ccccc2)CC[NH2+]C1 ZINC000572033509 505873825 /nfs/dbraw/zinc/87/38/25/505873825.db2.gz KJESHRYVTDBOCP-NZQKXSOJSA-N 2 0 369.553 3.032 20 0 FGADRP C[C@@H]1C[N@H+](CCC[NH2+]Cc2ccc(OCc3ccncc3)cc2)CCCO1 ZINC000277925438 496938148 /nfs/dbraw/zinc/93/81/48/496938148.db2.gz QEEGRKHEDRZSAG-LJQANCHMSA-N 2 0 369.509 3.251 20 0 FGADRP CC(C)C[C@H](NC(=O)CN1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1)c1ccccc1 ZINC000248009995 496942466 /nfs/dbraw/zinc/94/24/66/496942466.db2.gz LEHJMGSNHMVDCW-PCCBWWKXSA-N 2 0 357.542 3.306 20 0 FGADRP CC[N@@H+]1CC[C@H](NCC2([NH2+][C@@H](C)c3ccccc3)CCOCC2)[C@@H](C)C1 ZINC000248121914 496956232 /nfs/dbraw/zinc/95/62/32/496956232.db2.gz NMGCXNJJQZBSOI-ZJOUEHCJSA-N 2 0 359.558 3.206 20 0 FGADRP C[N@@H+]1CCC[C@@H]2C[NH+](CCc3nc(-c4cccc(Cl)c4)no3)CC[C@H]21 ZINC000248179270 496969716 /nfs/dbraw/zinc/96/97/16/496969716.db2.gz WCYDGBWYJKWGFQ-NVXWUHKLSA-N 2 0 360.889 3.349 20 0 FGADRP C[N@@H+]1CCC[C@@H]2CN(CC(=O)N[C@@H](c3cccs3)C(C)(C)C)CC[C@@H]21 ZINC000248214942 496972638 /nfs/dbraw/zinc/97/26/38/496972638.db2.gz ZLRDVTANSLGBBP-GJYPPUQNSA-N 2 0 363.571 3.368 20 0 FGADRP c1[nH]nc2c1C[C@@H]([NH2+][C@H]1CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]31)CC2 ZINC000248410867 497000970 /nfs/dbraw/zinc/00/09/70/497000970.db2.gz YPCYKCWHVFPUCA-KMQSCTNJSA-N 2 0 350.510 3.157 20 0 FGADRP O[C@@H]1CC[N@H+](Cc2ccccc2C[NH2+][C@@H](Cc2ccccc2)C2CC2)C1 ZINC000248436061 497009847 /nfs/dbraw/zinc/00/98/47/497009847.db2.gz GDJLOJCLNFIAOA-PKTZIBPZSA-N 2 0 350.506 3.364 20 0 FGADRP C[C@@H](C[NH2+]Cc1cc(Cl)cc(C(F)(F)F)c1)CN1CC[NH+](C)CC1 ZINC000189144135 497023396 /nfs/dbraw/zinc/02/33/96/497023396.db2.gz KBQDGXHQAYVNBC-ZDUSSCGKSA-N 2 0 363.855 3.332 20 0 FGADRP C[NH+](C)CCCC1CC[NH+](CCC(=O)N2CCc3ccccc3C2)CC1 ZINC000189146001 497023435 /nfs/dbraw/zinc/02/34/35/497023435.db2.gz BZQXUTSILKURCM-UHFFFAOYSA-N 2 0 357.542 3.015 20 0 FGADRP C[NH+](C)Cc1c2ccccc2oc1C(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000270066676 497051447 /nfs/dbraw/zinc/05/14/47/497051447.db2.gz GHLKIRPRSABILR-KRWDZBQOSA-N 2 0 369.509 3.298 20 0 FGADRP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]C2CCC(N3C(=O)c4ccccc4C3=O)CC2)C1 ZINC000189272913 497066622 /nfs/dbraw/zinc/06/66/22/497066622.db2.gz ZGDNUWSXWMGQAO-JYSRZZCRSA-N 2 0 369.509 3.056 20 0 FGADRP COc1cc(C)c([C@H](C)[NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)cc1OC ZINC000278352609 497083638 /nfs/dbraw/zinc/08/36/38/497083638.db2.gz AWOKRJVOIIRMND-IRXDYDNUSA-N 2 0 350.503 3.164 20 0 FGADRP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C[C@H]2CCC3(CCCCC3)O2)CC1 ZINC000248888396 497126803 /nfs/dbraw/zinc/12/68/03/497126803.db2.gz YGAIMBQLRZYVSM-NJDAHSKKSA-N 2 0 363.590 3.359 20 0 FGADRP C[C@@H](C[NH2+][C@@H](C)c1cc(Cl)c(N)c(Cl)c1)CN1CC[NH+](C)CC1 ZINC000270431757 497127098 /nfs/dbraw/zinc/12/70/98/497127098.db2.gz IFLATZPLAUENFA-STQMWFEESA-N 2 0 359.345 3.110 20 0 FGADRP C[C@@H]1C[C@@H](C)C[NH+](CCCC[NH2+]Cc2ccc3c(c2)sc(=O)n3C)C1 ZINC000192477426 497128126 /nfs/dbraw/zinc/12/81/26/497128126.db2.gz AQOAAQSDMCKFLK-HZPDHXFCSA-N 2 0 361.555 3.448 20 0 FGADRP CC1CC[NH+](Cc2cccc(CNC(=O)CC3C[C@H]4CC[C@@H](C3)[NH2+]4)c2)CC1 ZINC000236724439 497138516 /nfs/dbraw/zinc/13/85/16/497138516.db2.gz ZMESXZYAPJIJPT-FRIKZZABSA-N 2 0 369.553 3.455 20 0 FGADRP CCCC[N@H+](CC)Cc1cccc(CNC(=O)[C@H]2CC23CC[NH2+]CC3)c1 ZINC000236728297 497138571 /nfs/dbraw/zinc/13/85/71/497138571.db2.gz VCCKOQUYKLHXNC-HXUWFJFHSA-N 2 0 357.542 3.315 20 0 FGADRP C[C@]([NH3+])(C(=O)Nc1cccc(C[NH+]2CCSCC2)c1)c1ccccc1 ZINC000192525442 497140227 /nfs/dbraw/zinc/14/02/27/497140227.db2.gz JFINSRSECNXLAM-HXUWFJFHSA-N 2 0 355.507 3.048 20 0 FGADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)C[C@@H]1C ZINC000249099447 497166787 /nfs/dbraw/zinc/16/67/87/497166787.db2.gz NHYWMCGDHYYZFI-FYZZASKESA-N 2 0 358.526 3.466 20 0 FGADRP Cn1c2ccc(C[NH2+]CC3CCN(c4cc[nH+]cc4)CC3)cc2sc1=O ZINC000192667287 497179453 /nfs/dbraw/zinc/17/94/53/497179453.db2.gz PRNFOMLOHATGGR-UHFFFAOYSA-N 2 0 368.506 3.001 20 0 FGADRP CN(CC1([NH+](C)C)CCC1)C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000189608395 497180715 /nfs/dbraw/zinc/18/07/15/497180715.db2.gz KFIXPMSECKSBOP-MRXNPFEDSA-N 2 0 364.559 3.011 20 0 FGADRP FC(F)(F)c1cccc(-c2noc(CN3CC[C@@]4(C3)CCC[NH2+]C4)n2)c1 ZINC000581012412 505890557 /nfs/dbraw/zinc/89/05/57/505890557.db2.gz WLGJQKFSAKOVPX-KRWDZBQOSA-N 2 0 366.387 3.331 20 0 FGADRP CN1c2ccc(C[N@@H+]3CC[C@@H]4[C@@H](CCC[NH+]4C4CC4)C3)cc2CCC1=O ZINC000249460261 497206286 /nfs/dbraw/zinc/20/62/86/497206286.db2.gz QSLAUKASBRLBSY-GHTZIAJQSA-N 2 0 353.510 3.044 20 0 FGADRP CC(C)[NH+]1CCN(C2CC[NH+](CCCOCCc3ccccc3)CC2)CC1 ZINC000270825153 497210410 /nfs/dbraw/zinc/21/04/10/497210410.db2.gz BVOFTIGKBKOMBH-UHFFFAOYSA-N 2 0 373.585 3.126 20 0 FGADRP C[NH2+]C[C@H](C)C(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000237325049 497220262 /nfs/dbraw/zinc/22/02/62/497220262.db2.gz MSBFXYJGXAIOMJ-JLJPHGGASA-N 2 0 371.447 3.060 20 0 FGADRP C[C@@H](CC(=O)Nc1ccccc1NC1CC[NH+](C)CC1)[C@H]1CCC[NH2+]C1 ZINC000237347049 497222909 /nfs/dbraw/zinc/22/29/09/497222909.db2.gz XCLSPHCOZLLDGB-IRXDYDNUSA-N 2 0 358.530 3.157 20 0 FGADRP CCc1cccc(C[NH+]2CCC(C(=O)NCCC[NH+]3CCCCC3)CC2)c1 ZINC000189739813 497228394 /nfs/dbraw/zinc/22/83/94/497228394.db2.gz KHUNKNZQGYNNIB-UHFFFAOYSA-N 2 0 371.569 3.453 20 0 FGADRP C[C@H](CC[NH+](C)C)NCc1nc(-c2ccc(Br)cc2)c[nH]1 ZINC000237447478 497237764 /nfs/dbraw/zinc/23/77/64/497237764.db2.gz DBNDGAVDSUOREG-GFCCVEGCSA-N 2 0 351.292 3.269 20 0 FGADRP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)c1ccc(C[NH3+])cc1 ZINC000237515394 497249144 /nfs/dbraw/zinc/24/91/44/497249144.db2.gz HIYVFJWLNMBWOB-IAGOWNOFSA-N 2 0 351.494 3.032 20 0 FGADRP C[C@H]([NH2+]CCCOC1CC[NH+](Cc2ccccc2)CC1)c1ccnn1C ZINC000192929914 497249985 /nfs/dbraw/zinc/24/99/85/497249985.db2.gz RKSSORHAINIOMT-SFHVURJKSA-N 2 0 356.514 3.142 20 0 FGADRP C[C@H](CC(=O)Nc1ccccc1NC1CC[NH+](C)CC1)C1CC[NH2+]CC1 ZINC000237536531 497252257 /nfs/dbraw/zinc/25/22/57/497252257.db2.gz YRQMACKJYZZSOF-MRXNPFEDSA-N 2 0 358.530 3.157 20 0 FGADRP C[C@@H]1C[C@@H](N(C)C(=O)[C@@H]([NH3+])c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000237565257 497255868 /nfs/dbraw/zinc/25/58/68/497255868.db2.gz RMTMNYAXHGZNRK-QMMLZNLJSA-N 2 0 351.494 3.198 20 0 FGADRP C[C@H](CC(=O)NCC1CC[NH+](Cc2cccs2)CC1)[C@H]1CCC[NH2+]C1 ZINC000237613970 497263102 /nfs/dbraw/zinc/26/31/02/497263102.db2.gz XKODLLYDWXIIHS-AEFFLSMTSA-N 2 0 363.571 3.102 20 0 FGADRP c1csc(CC[NH+]2CCN([C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)c1 ZINC000271248419 497302974 /nfs/dbraw/zinc/30/29/74/497302974.db2.gz GVDQVPYGHYTBHQ-FQEVSTJZSA-N 2 0 355.551 3.183 20 0 FGADRP Cc1ccc([C@@H](CNC(=O)CC[C@@H]([NH3+])c2ccccc2)[NH+]2CCCC2)o1 ZINC000237877462 497306331 /nfs/dbraw/zinc/30/63/31/497306331.db2.gz FRWMBHNBRPPHDN-RTBURBONSA-N 2 0 355.482 3.321 20 0 FGADRP CC(=O)Nc1ccc(C[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)cn1 ZINC000279142902 497347751 /nfs/dbraw/zinc/34/77/51/497347751.db2.gz SAXFQLWGSBNCLB-PWRODBHTSA-N 2 0 364.493 3.040 20 0 FGADRP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)c1ccc(-n2cccn2)cc1 ZINC000271432818 497347769 /nfs/dbraw/zinc/34/77/69/497347769.db2.gz BHMGEFXDALHTHJ-MTNREXPMSA-N 2 0 368.525 3.291 20 0 FGADRP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)c1cccc(Br)c1 ZINC000271474132 497358763 /nfs/dbraw/zinc/35/87/63/497358763.db2.gz HSPYVHILAKPUOO-VHSSKADRSA-N 2 0 367.331 3.478 20 0 FGADRP C[C@H]1C[C@@H](C(=O)NC[C@@H](c2cccc(Cl)c2)[NH+]2CCCC2)CC[N@@H+]1C ZINC000279192707 497363017 /nfs/dbraw/zinc/36/30/17/497363017.db2.gz LQWNSFHKANGLIU-IEZWGBDMSA-N 2 0 363.933 3.323 20 0 FGADRP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)c1cccc(OC(F)F)c1 ZINC000271537345 497376000 /nfs/dbraw/zinc/37/60/00/497376000.db2.gz SCWQHHNUHDHYRK-VHSSKADRSA-N 2 0 354.441 3.316 20 0 FGADRP COc1cc([C@H](C)[NH2+]C2CC[NH+]([C@H]3CCC[C@H]3O)CC2)ccc1SC ZINC000271548132 497379725 /nfs/dbraw/zinc/37/97/25/497379725.db2.gz UKOXEQHRPDPIBP-JCGIZDLHSA-N 2 0 364.555 3.446 20 0 FGADRP COc1cc([C@@H](C)[NH2+]CCCN2CC[N@H+](C)C[C@H]2c2ccccc2)ccn1 ZINC000575007557 505904036 /nfs/dbraw/zinc/90/40/36/505904036.db2.gz FAACFFQGSJHXMG-NQIIRXRSSA-N 2 0 368.525 3.120 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)Cc2cccc(C(=O)N3CCCCC3)c2)[C@@H](C)C1 ZINC000245427465 497399822 /nfs/dbraw/zinc/39/98/22/497399822.db2.gz MATSMJFRNRXIBD-RXVVDRJESA-N 2 0 357.542 3.475 20 0 FGADRP C[NH+](C)CCc1ccccc1NC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000275709843 497410461 /nfs/dbraw/zinc/41/04/61/497410461.db2.gz UNOIDRIYRVZBHI-WIYYLYMNSA-N 2 0 370.541 3.271 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2ccc(OC)c(OC)c2)[C@@H](C)C1 ZINC000245466355 497420565 /nfs/dbraw/zinc/42/05/65/497420565.db2.gz RDIKAWWXRGUYSO-SCTDSRPQSA-N 2 0 364.530 3.491 20 0 FGADRP Cc1ccc([C@H](CCn2cncn2)[NH2+]C2CC[NH+](CC3CC3)CC2)cc1 ZINC000275831754 497442935 /nfs/dbraw/zinc/44/29/35/497442935.db2.gz HVKPYBPGATTXAC-NRFANRHFSA-N 2 0 353.514 3.182 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)CC[C@H]2CC[NH2+]C2)C1 ZINC000261778579 497449487 /nfs/dbraw/zinc/44/94/87/497449487.db2.gz JHTVPIVHUDUKRU-OTWHNJEPSA-N 2 0 357.542 3.170 20 0 FGADRP C[C@H](C[NH+]1CCC(c2nnc3n2CCNC3)CC1)c1cccc(Cl)c1 ZINC000261778040 497449984 /nfs/dbraw/zinc/44/99/84/497449984.db2.gz FEMFVOWBGHTIQO-CQSZACIVSA-N 2 0 359.905 3.018 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)CC[C@H]1CC[NH2+]C1)c1ccccc1Cl ZINC000261788476 497452074 /nfs/dbraw/zinc/45/20/74/497452074.db2.gz KDKDTHPTMXKRFB-MAUKXSAKSA-N 2 0 351.922 3.229 20 0 FGADRP CC[NH+](CC)[C@H](C(=O)N1C[C@@H](C[NH3+])C[C@@H]1C)c1cccc(C(F)(F)F)c1 ZINC000261816481 497456271 /nfs/dbraw/zinc/45/62/71/497456271.db2.gz NCPKXCGQRCBQPW-VBQJREDUSA-N 2 0 371.447 3.284 20 0 FGADRP C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+]CC1=CC[N@H+](C)CC1 ZINC000271892435 497481330 /nfs/dbraw/zinc/48/13/30/497481330.db2.gz SFVAKBJTRCANNM-CYBMUJFWSA-N 2 0 366.303 3.018 20 0 FGADRP C[NH2+]CCC1CC[NH+](CC(=O)Nc2cccc(-c3csc(C)n3)c2)CC1 ZINC000262002709 497489946 /nfs/dbraw/zinc/48/99/46/497489946.db2.gz QHTIIRYNNATYCA-UHFFFAOYSA-N 2 0 372.538 3.379 20 0 FGADRP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000245668808 497495575 /nfs/dbraw/zinc/49/55/75/497495575.db2.gz FCTXJPYNMWFTFH-CEXWTWQISA-N 2 0 374.529 3.075 20 0 FGADRP C[C@@]1(c2ccccc2)CC[C@H]([NH+]2CCC(c3nnc4n3CCNC4)CC2)C1 ZINC000569340229 505911621 /nfs/dbraw/zinc/91/16/21/505911621.db2.gz COXGNGLKBBMFNL-SIKLNZKXSA-N 2 0 365.525 3.071 20 0 FGADRP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+]CCCOC[C@@H]2CCOC2)C3)cc1 ZINC000245717301 497515447 /nfs/dbraw/zinc/51/54/47/497515447.db2.gz OFAUYXBMWHFLRH-MYGLTJDJSA-N 2 0 358.526 3.215 20 0 FGADRP CC(C)[NH2+]C1CCN(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000267312986 497523722 /nfs/dbraw/zinc/52/37/22/497523722.db2.gz CFADBXQOUBJCIP-WIYYLYMNSA-N 2 0 372.557 3.069 20 0 FGADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+] ZINC000262231822 497527118 /nfs/dbraw/zinc/52/71/18/497527118.db2.gz GXECRVLYAWGMDS-IKCASOAWSA-N 2 0 369.553 3.167 20 0 FGADRP CCc1nn(C)c(OC)c1CN[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000245753406 497527933 /nfs/dbraw/zinc/52/79/33/497527933.db2.gz ULOVGHRFYVWQFO-REPLKXPHSA-N 2 0 368.525 3.276 20 0 FGADRP CC[NH+]1CCN(CCC[NH2+][C@H](C)c2cc(Br)cs2)CC1 ZINC000193971338 497536214 /nfs/dbraw/zinc/53/62/14/497536214.db2.gz PHHDAFWHLVMFTO-CYBMUJFWSA-N 2 0 360.365 3.189 20 0 FGADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])C1 ZINC000262394111 497549196 /nfs/dbraw/zinc/54/91/96/497549196.db2.gz ZCJKYPOTVTUFPH-JTVBLWFRSA-N 2 0 355.526 3.092 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)NCC1=CC[NH+](C)CC1 ZINC000272150343 497549653 /nfs/dbraw/zinc/54/96/53/497549653.db2.gz ZZNQGLXPLPOLKH-GOSISDBHSA-N 2 0 370.541 3.122 20 0 FGADRP CC(C)CO[C@@H]1C[C@H]([NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)C1(C)C ZINC000245856034 497551334 /nfs/dbraw/zinc/55/13/34/497551334.db2.gz HBTHVPBVOQDKAK-ZGXWSNOMSA-N 2 0 352.563 3.184 20 0 FGADRP CC[NH+](CC)CCOc1ccc(C[NH2+]Cc2cnccc2C)cc1OC ZINC000279925682 497591550 /nfs/dbraw/zinc/59/15/50/497591550.db2.gz MUORWLAKWFBWLI-UHFFFAOYSA-N 2 0 357.498 3.409 20 0 FGADRP O=C(Nc1ccc(CC[NH+]2CCSCC2)cc1)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000262651548 497592123 /nfs/dbraw/zinc/59/21/23/497592123.db2.gz RAJSUEHUAKSNKV-SXLOBPIMSA-N 2 0 373.566 3.137 20 0 FGADRP C[NH+](C)CC[C@@H](NC(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(C)(C)C ZINC000194183040 497596154 /nfs/dbraw/zinc/59/61/54/497596154.db2.gz MLKJWVILSZPBDE-VQTJNVASSA-N 2 0 374.573 3.174 20 0 FGADRP C[C@H](C(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1)[C@H]([NH3+])c1ccccc1 ZINC000262678424 497598523 /nfs/dbraw/zinc/59/85/23/497598523.db2.gz UXWUQGRCNAXCNB-YYWHXJBOSA-N 2 0 351.494 3.276 20 0 FGADRP Cc1cc(NC(=O)[C@H](C)N2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)on1 ZINC000246070401 497610482 /nfs/dbraw/zinc/61/04/82/497610482.db2.gz SDJQMPJDGOLSLT-SJORKVTESA-N 2 0 362.518 3.287 20 0 FGADRP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@](C)([NH3+])c1ccccc1 ZINC000262772160 497617680 /nfs/dbraw/zinc/61/76/80/497617680.db2.gz JAZXHRYVFHNZKK-OFNKIYASSA-N 2 0 365.521 3.231 20 0 FGADRP C[C@@H](NC(=O)CN(C)C[C@H]1CCC[N@H+](C)C1)c1ccc2c(c1)CCCC2 ZINC000246109640 497625090 /nfs/dbraw/zinc/62/50/90/497625090.db2.gz DRKNUCIIBSJANS-MSOLQXFVSA-N 2 0 357.542 3.016 20 0 FGADRP CC1CC[NH+](Cc2cccc(CNC(=O)[C@](C)([NH3+])c3ccccc3)c2)CC1 ZINC000262817958 497628356 /nfs/dbraw/zinc/62/83/56/497628356.db2.gz GNJMKJBPELLSQH-HSZRJFAPSA-N 2 0 365.521 3.409 20 0 FGADRP Cc1cc(C(F)(F)F)ccc1C[NH2+]CC1CC[NH+](CCN(C)C)CC1 ZINC000190946459 497656040 /nfs/dbraw/zinc/65/60/40/497656040.db2.gz USPFIVUEEUEHJM-UHFFFAOYSA-N 2 0 357.464 3.377 20 0 FGADRP Brc1cccc(N2CC[C@H]([NH2+][C@@H]3CC[N@@H+]4CCC[C@H]4C3)C2)c1 ZINC000268144584 497686916 /nfs/dbraw/zinc/68/69/16/497686916.db2.gz QLYRXNKTUQVXHP-RYRKJORJSA-N 2 0 364.331 3.244 20 0 FGADRP CC(C)Cc1ccc([C@@H](CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)[NH+](C)C)cc1 ZINC000581162974 505923728 /nfs/dbraw/zinc/92/37/28/505923728.db2.gz HXSXUTGORYJMAT-DZFGPLHGSA-N 2 0 359.558 3.334 20 0 FGADRP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)C1 ZINC000246350417 497705140 /nfs/dbraw/zinc/70/51/40/497705140.db2.gz MLXTTWLSSZSKBS-ZWKOTPCHSA-N 2 0 354.583 3.020 20 0 FGADRP C[C@H](C[NH+]1CCCCC1)NC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000246442724 497736063 /nfs/dbraw/zinc/73/60/63/497736063.db2.gz IACXPCXCHFMIQT-DYXWJJEUSA-N 2 0 372.557 3.213 20 0 FGADRP CCN(CC1CCN(c2ccccn2)CC1)C(=O)[C@H]1CCCC[C@]1(C)[NH3+] ZINC000263237891 497739312 /nfs/dbraw/zinc/73/93/12/497739312.db2.gz OHDKDCFKKXMRAB-NQIIRXRSSA-N 2 0 358.530 3.054 20 0 FGADRP COc1ccc([C@H](C)[NH2+]Cc2ccc(C(=O)NCC[NH+](C)C)cc2)cc1C ZINC000272858935 497746164 /nfs/dbraw/zinc/74/61/64/497746164.db2.gz IQYNUMWYEAIXIJ-KRWDZBQOSA-N 2 0 369.509 3.146 20 0 FGADRP C[C@@H](NC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1)C1=CC[N@H+](C)CC1 ZINC000272867534 497748515 /nfs/dbraw/zinc/74/85/15/497748515.db2.gz WBFPMQYMKPWRMJ-GOSISDBHSA-N 2 0 370.541 3.122 20 0 FGADRP C[C@H]([NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1)c1cn2ccccc2n1 ZINC000578378866 505927086 /nfs/dbraw/zinc/92/70/86/505927086.db2.gz RKNIKGXTSYFHTB-SFHVURJKSA-N 2 0 364.493 3.012 20 0 FGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCOc2ccccc2Cl)[C@@H](C)C1 ZINC000246508314 497757922 /nfs/dbraw/zinc/75/79/22/497757922.db2.gz TYKJOGXDPAKYLF-FUHWJXTLSA-N 2 0 354.922 3.445 20 0 FGADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)C1 ZINC000246559136 497774154 /nfs/dbraw/zinc/77/41/54/497774154.db2.gz ZBDGJOLBJQTWGL-TZIWHRDSSA-N 2 0 372.557 3.243 20 0 FGADRP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)C1 ZINC000246841054 497815658 /nfs/dbraw/zinc/81/56/58/497815658.db2.gz BSAURWKHKXRHFG-XUVXKRRUSA-N 2 0 364.578 3.157 20 0 FGADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000246846192 497815886 /nfs/dbraw/zinc/81/58/86/497815886.db2.gz BVWMKNFTBAUHQP-GLHLROKDSA-N 2 0 351.535 3.235 20 0 FGADRP CC[N@@H+]1CC[C@H]([NH2+]CC2CC[NH+](Cc3ccc(OC)cc3)CC2)[C@@H](C)C1 ZINC000246870337 497817721 /nfs/dbraw/zinc/81/77/21/497817721.db2.gz COHHZIMLAMQDDO-AVRDEDQJSA-N 3 0 359.558 3.227 20 0 FGADRP O=C(CC[C@@H]1CCC[NH2+]1)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000292140088 497895353 /nfs/dbraw/zinc/89/53/53/497895353.db2.gz SLAJHTPBCNFIMS-SFHVURJKSA-N 2 0 363.933 3.200 20 0 FGADRP C[C@@H]1C[C@H]([NH2+]CCCC[NH+]2CCN(Cc3ccccc3)CC2)c2nccn21 ZINC000296078194 497912857 /nfs/dbraw/zinc/91/28/57/497912857.db2.gz SLICKGRLZPGGBX-CTNGQTDRSA-N 2 0 367.541 3.077 20 0 FGADRP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+][C@H](C[C@@H]1CCOC1)c1ccc(F)cc1 ZINC000292182945 497913264 /nfs/dbraw/zinc/91/32/64/497913264.db2.gz OQHONDCBOFCBKM-DZFGPLHGSA-N 2 0 364.505 3.120 20 0 FGADRP C[C@@H]([NH2+]CCc1cnc(C2CC2)nc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000364357377 497917066 /nfs/dbraw/zinc/91/70/66/497917066.db2.gz RMQPRXLNLIHJDV-DYESRHJHSA-N 2 0 350.510 3.397 20 0 FGADRP CSc1ccc(OC[C@H](O)C[NH2+]C2CC[NH+](C3CCCC3)CC2)cc1 ZINC000572356553 505948802 /nfs/dbraw/zinc/94/88/02/505948802.db2.gz MVMUDQAQHZABGS-GOSISDBHSA-N 2 0 364.555 3.145 20 0 FGADRP COCC[N@H+](C)CC[C@@H](NC(=O)c1ccc([C@@H](C)[NH3+])cc1)c1ccccc1 ZINC000572360912 505950045 /nfs/dbraw/zinc/95/00/45/505950045.db2.gz QWARBZLADXEMST-DYESRHJHSA-N 2 0 369.509 3.146 20 0 FGADRP CC1CC[NH+](Cc2ccccc2CNC(=O)c2ccccc2CC[NH3+])CC1 ZINC000581317909 505959954 /nfs/dbraw/zinc/95/99/54/505959954.db2.gz QLDOUAFSIYSGML-UHFFFAOYSA-N 2 0 365.521 3.350 20 0 FGADRP Cc1ccc(C[NH2+]CCCC[NH+]2CCN(c3ncccn3)CC2)c(Cl)c1 ZINC000572412402 505962817 /nfs/dbraw/zinc/96/28/17/505962817.db2.gz GKWWEXVCFMBBDB-UHFFFAOYSA-N 2 0 373.932 3.130 20 0 FGADRP CC1(C)C[NH2+]CC[C@@H]1NCc1nc(-c2cccc(Br)c2)c[nH]1 ZINC000581357656 505969518 /nfs/dbraw/zinc/96/95/18/505969518.db2.gz VHPQWAGLXOPTJR-HNNXBMFYSA-N 2 0 363.303 3.317 20 0 FGADRP COc1ccc([C@H]2C[C@@H]2[C@@H](C)[NH2+]CC2CC[NH+](CCN(C)C)CC2)cc1 ZINC000578592921 505974842 /nfs/dbraw/zinc/97/48/42/505974842.db2.gz QPAPVILRRDTPJC-ZPMCFJSWSA-N 2 0 359.558 3.050 20 0 FGADRP CC(C)[N@H+](C)Cc1cccc(C[NH2+]Cc2cnc(C3OCCO3)s2)c1 ZINC000289255225 498079948 /nfs/dbraw/zinc/07/99/48/498079948.db2.gz MEUDERRBIKIYOQ-UHFFFAOYSA-N 2 0 361.511 3.319 20 0 FGADRP C[C@H](C(=O)N1CCSc2ccccc21)N1CCC[C@@H](c2ncc[nH]2)C1 ZINC000330254356 498080661 /nfs/dbraw/zinc/08/06/61/498080661.db2.gz JLELJJGVHPYDIP-HUUCEWRRSA-N 2 0 356.495 3.117 20 0 FGADRP C[NH+](C)CCOc1cnccc1C[NH2+]Cc1ccc(C(F)(F)F)cc1 ZINC000581392826 505977385 /nfs/dbraw/zinc/97/73/85/505977385.db2.gz RAINMKLBUFHLOA-UHFFFAOYSA-N 2 0 353.388 3.331 20 0 FGADRP CN(CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2ccccc2)C1)Cc1ccco1 ZINC000285463145 498093941 /nfs/dbraw/zinc/09/39/41/498093941.db2.gz AIPHNBHBIOHDAX-IBGZPJMESA-N 2 0 369.509 3.196 20 0 FGADRP CC[NH+]1CCN(Cc2ccc(C[NH2+][C@H](C)c3cc(C)ccn3)cc2)CC1 ZINC000285505046 498110767 /nfs/dbraw/zinc/11/07/67/498110767.db2.gz CVROUUFMCNIWSN-LJQANCHMSA-N 2 0 352.526 3.378 20 0 FGADRP C/C(=C\c1ccccc1OC(F)F)C[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000289418818 498139442 /nfs/dbraw/zinc/13/94/42/498139442.db2.gz CIBDSRNFHVFVIB-JQIJEIRASA-N 2 0 367.484 3.307 20 0 FGADRP CN(C)[C@H](C(=O)NC1CCN(c2ccccn2)CC1)c1ccc(Cl)cc1 ZINC000569738285 506004069 /nfs/dbraw/zinc/00/40/69/506004069.db2.gz IBWHEBBCXUCEDY-IBGZPJMESA-N 2 0 372.900 3.123 20 0 FGADRP COc1cc2c(cc1F)CC[C@@H]2[NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000281753410 498257846 /nfs/dbraw/zinc/25/78/46/498257846.db2.gz WAEKZFKSHXMFAI-NQIIRXRSSA-N 2 0 370.468 3.178 20 0 FGADRP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)c1ccc2c(c1)OCC(=O)N2 ZINC000285990252 498261593 /nfs/dbraw/zinc/26/15/93/498261593.db2.gz GZFYWWXVFCHEGJ-ZOBUZTSGSA-N 2 0 357.498 3.321 20 0 FGADRP C[C@H]1C[C@H]([NH2+]Cc2cccc(-c3nc(CC(F)(F)F)no3)c2)CC[N@@H+]1C ZINC000289763522 498281405 /nfs/dbraw/zinc/28/14/05/498281405.db2.gz LTLPJZYFRPAZDL-SWLSCSKDSA-N 2 0 368.403 3.414 20 0 FGADRP C[C@H]1C[C@H](NC(=O)N(C)CCC[NH+]2CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000281867241 498297180 /nfs/dbraw/zinc/29/71/80/498297180.db2.gz MDAKJIORWVIRGM-PZJWPPBQSA-N 2 0 372.557 3.167 20 0 FGADRP CC1(C(=O)NCc2ccc3c[nH+]cn3c2)CC[NH+](Cc2ccccc2)CC1 ZINC000297047487 498301840 /nfs/dbraw/zinc/30/18/40/498301840.db2.gz CKMZUKQJZZRTSQ-UHFFFAOYSA-N 2 0 362.477 3.253 20 0 FGADRP COCCC[C@@H]([NH2+]C[C@@H](C(C)C)N1CC[NH+](C)CC1)c1ccc(F)cc1 ZINC000281888313 498307180 /nfs/dbraw/zinc/30/71/80/498307180.db2.gz GVRNNRSYBOJKBJ-RTWAWAEBSA-N 2 0 365.537 3.155 20 0 FGADRP CC(C)[NH2+]CCC[NH2+][C@@H](C)CC(=O)Nc1cccc(Br)c1 ZINC000578756716 506013883 /nfs/dbraw/zinc/01/38/83/506013883.db2.gz BMYSUOOYEOECCP-ZDUSSCGKSA-N 2 0 356.308 3.144 20 0 FGADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)Nc1cc(C(F)F)ccc1Cl ZINC000578783526 506019690 /nfs/dbraw/zinc/01/96/90/506019690.db2.gz QICSPIRCBLEQEK-UHFFFAOYSA-N 2 0 362.852 3.235 20 0 FGADRP C[C@H]([NH2+]Cc1ccc2cnn(C)c2c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000572661077 506022843 /nfs/dbraw/zinc/02/28/43/506022843.db2.gz BSBLEJKMURKVNO-INIZCTEOSA-N 2 0 352.482 3.365 20 0 FGADRP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2ccccc2N(C)C2CC[NH+](C)CC2)C1 ZINC000578803236 506023422 /nfs/dbraw/zinc/02/34/22/506023422.db2.gz OPDKMXJHBSLZHD-LJQANCHMSA-N 3 0 358.574 3.037 20 0 FGADRP Cc1cc(-n2ccnc2)ccc1C[NH2+][C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@H]1C ZINC000365273122 498381940 /nfs/dbraw/zinc/38/19/40/498381940.db2.gz YSPTUYOPCINNJR-BVYCBKJFSA-N 2 0 368.525 3.160 20 0 FGADRP C[C@H]1CCCC[N@@H+]1CCNC(=O)[C@@H]1CCn2c(cnc2-c2ccccc2)C1 ZINC000361685285 498418304 /nfs/dbraw/zinc/41/83/04/498418304.db2.gz MTONHLAJGSTDEZ-PKOBYXMFSA-N 2 0 366.509 3.103 20 0 FGADRP C[C@H]([NH2+][C@@H]1CC(=O)N(C2CCCCC2)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000581634126 506032637 /nfs/dbraw/zinc/03/26/37/506032637.db2.gz AMGOQHXWQLFTHG-CEWLAPEOSA-N 2 0 369.553 3.420 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNc2cc[nH+]cc2C(N)=O)C1 ZINC000302207893 498442993 /nfs/dbraw/zinc/44/29/93/498442993.db2.gz FKOHBKSMESMPBA-IYBDPMFKSA-N 2 0 352.482 3.271 20 0 FGADRP COCC1(C[NH2+]C2CCC([N@H+](C)Cc3ccccc3)CC2)CCOCC1 ZINC000293688429 498454690 /nfs/dbraw/zinc/45/46/90/498454690.db2.gz NOAAKDBXMDXARW-UHFFFAOYSA-N 2 0 360.542 3.462 20 0 FGADRP C[NH+](C)CCc1ccc(C(=O)Nc2cccc3c2OCC[C@@H]3[NH+](C)C)cc1 ZINC000575933918 506036506 /nfs/dbraw/zinc/03/65/06/506036506.db2.gz ZSZIUCNHBBTCIF-FQEVSTJZSA-N 2 0 367.493 3.428 20 0 FGADRP C[C@H]1CN(C(=O)c2cccc(C[NH+]3CCCC3)c2)CC[N@@H+](C2CCC2)C1 ZINC000293695906 498458048 /nfs/dbraw/zinc/45/80/48/498458048.db2.gz MUAKXBSGNPVUGC-GOSISDBHSA-N 2 0 355.526 3.229 20 0 FGADRP O=C(C1CC[NH+](Cc2ccccc2)CC1)N1CCC([NH2+]C2CCCC2)CC1 ZINC000365438633 498467522 /nfs/dbraw/zinc/46/75/22/498467522.db2.gz RETOJNGBIGZLNO-UHFFFAOYSA-N 2 0 369.553 3.422 20 0 FGADRP Cc1cc(C[N@@H+](C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)c2ccccc2n1 ZINC000362252783 498481015 /nfs/dbraw/zinc/48/10/15/498481015.db2.gz BKRXTOGCGLBJQN-FQEVSTJZSA-N 2 0 352.526 3.144 20 0 FGADRP Cc1ccc(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)c(O[C@@H]2CCOC2)c1 ZINC000297583935 498501477 /nfs/dbraw/zinc/50/14/77/498501477.db2.gz IQZJJEFKYXDTCB-OAQYLSRUSA-N 2 0 367.493 3.316 20 0 FGADRP COc1ccc([C@H](OC)[C@H](C)[NH2+]C2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000297585701 498501633 /nfs/dbraw/zinc/50/16/33/498501633.db2.gz ITUWBDGXRUTCGZ-HRAATJIYSA-N 2 0 355.482 3.425 20 0 FGADRP CC(C)(C)OC(=O)N1CCC[C@H]([NH2+]C2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000297607288 498510374 /nfs/dbraw/zinc/51/03/74/498510374.db2.gz KIUREZJSWYLMJX-KRWDZBQOSA-N 2 0 360.502 3.040 20 0 FGADRP CC[NH+](CC)Cc1ccc(C(=O)N2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@@H]3C2)cc1 ZINC000365538549 498521554 /nfs/dbraw/zinc/52/15/54/498521554.db2.gz NEHRDZARCPFWFU-HBMCJLEFSA-N 2 0 355.526 3.085 20 0 FGADRP COc1ccc(C[N@H+](CCc2cncn2C)CCc2ccccn2)cc1 ZINC000297818765 498577285 /nfs/dbraw/zinc/57/72/85/498577285.db2.gz YUBJXZJINGNOBS-UHFFFAOYSA-N 2 0 350.466 3.111 20 0 FGADRP COCCCn1nccc1C[NH2+]Cc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000282628604 498586921 /nfs/dbraw/zinc/58/69/21/498586921.db2.gz KCNQFUPVOJNQHC-IBGZPJMESA-N 2 0 370.541 3.441 20 0 FGADRP C[C@@H](CNC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1)[NH+]1CCC[C@@H](C)C1 ZINC000303061327 498644633 /nfs/dbraw/zinc/64/46/33/498644633.db2.gz XOFQEMXJSNCCCK-SVFBPWRDSA-N 2 0 357.542 3.135 20 0 FGADRP COc1ccc(-c2cnc(C[NH+]3CCC([C@@H]4C[C@@H]([NH3+])CCO4)CC3)o2)cc1 ZINC000578983774 506067514 /nfs/dbraw/zinc/06/75/14/506067514.db2.gz PFBCEIAMUKCKHY-HKUYNNGSSA-N 2 0 371.481 3.069 20 0 FGADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)NCCCC[NH+]1CCC(C)CC1 ZINC000303524691 498686706 /nfs/dbraw/zinc/68/67/06/498686706.db2.gz DASURHIRSIYLBP-IBGZPJMESA-N 2 0 352.567 3.062 20 0 FGADRP Cc1ccc2ncc(C[N@H+]3CC[C@@H](N4CC[NH+](C(C)C)CC4)C3)cc2c1 ZINC000576124488 506083215 /nfs/dbraw/zinc/08/32/15/506083215.db2.gz HGLFNTNKWVGMKJ-OAQYLSRUSA-N 2 0 352.526 3.144 20 0 FGADRP COC(=O)c1ccc(C[NH2+][C@H]2CCN(Cc3ccccc3)[C@@H]2C)cc1F ZINC000311600202 498752976 /nfs/dbraw/zinc/75/29/76/498752976.db2.gz GNWIWPCEZQLVNF-QRWLVFNGSA-N 2 0 356.441 3.365 20 0 FGADRP C[C@H](OC[C@@H](O)C[NH2+]C[C@@H]1CCCn2ccnc21)c1ccc(Cl)cc1 ZINC000570082197 506086097 /nfs/dbraw/zinc/08/60/97/506086097.db2.gz UHXGBLIRVKXQFC-ZVZYQTTQSA-N 2 0 363.889 3.142 20 0 FGADRP CC(C)C[N@@H+]1CC[C@H](C[NH2+]C[C@H](O)CO[C@H]2CCCc3ccccc32)C1 ZINC000576149329 506088403 /nfs/dbraw/zinc/08/84/03/506088403.db2.gz SZFMRPBTZBAQQI-CBQOVEMMSA-N 2 0 360.542 3.009 20 0 FGADRP COC(=O)c1ccc(C[N@H+](C)CC2CC[NH+](C)CC2)c(Br)c1 ZINC000318289388 498797139 /nfs/dbraw/zinc/79/71/39/498797139.db2.gz KWPPRZLDFGUQLB-UHFFFAOYSA-N 2 0 369.303 3.009 20 0 FGADRP C[C@H](C[NH2+]C[C@H](O)COc1c(Cl)cccc1Cl)C[NH+]1CCCC1 ZINC000320702070 498808783 /nfs/dbraw/zinc/80/87/83/498808783.db2.gz INZRMFZPCWVRKN-KGLIPLIRSA-N 2 0 361.313 3.055 20 0 FGADRP CC[NH+](CC)CCOc1ccccc1NC(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000572970123 506093441 /nfs/dbraw/zinc/09/34/41/506093441.db2.gz SDZHAKUTYQKFFB-OAQYLSRUSA-N 2 0 374.529 3.015 20 0 FGADRP CC1CC[NH+](CCC[C@H]([NH2+]C[C@@]2(O)CCOC2)c2ccc(F)cc2)CC1 ZINC000291141747 498812515 /nfs/dbraw/zinc/81/25/15/498812515.db2.gz HRPXIRHVHZUFDA-SFTDATJTSA-N 2 0 364.505 3.120 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2cccc(-n3ccnn3)c2)[C@@H](C)C1 ZINC000287618752 498816534 /nfs/dbraw/zinc/81/65/34/498816534.db2.gz JRJIIYSERAWAJR-UEXGIBASSA-N 2 0 371.529 3.055 20 0 FGADRP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)NCCCC[NH+]1CCC[C@@H](C)C1 ZINC000570122077 506094650 /nfs/dbraw/zinc/09/46/50/506094650.db2.gz VFKRNYLIBDSVNM-WOJBJXKFSA-N 2 0 374.573 3.318 20 0 FGADRP CO[C@H](CN1CCN(C[C@H]2CCCC[N@@H+]2C)CC1)c1ccc(Cl)cc1 ZINC000283221831 498821896 /nfs/dbraw/zinc/82/18/96/498821896.db2.gz SUOUCBHHSVEHSU-WOJBJXKFSA-N 2 0 365.949 3.129 20 0 FGADRP C[NH+]1CCC(CC[NH2+]C[C@@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000323880669 498822399 /nfs/dbraw/zinc/82/23/99/498822399.db2.gz VLWGXPYWIHPAPI-OAHLLOKOSA-N 2 0 361.313 3.055 20 0 FGADRP C[C@H](c1ccc(C[N@H+](C)CCCN2CC[NH+](C)CC2)cc1)C(F)(F)F ZINC000294891811 498840457 /nfs/dbraw/zinc/84/04/57/498840457.db2.gz GHHWHCSSIYYUFL-MRXNPFEDSA-N 2 0 357.464 3.422 20 0 FGADRP CC(C)[C@@H]1OCCC[C@@H]1Nc1cc(N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)ncn1 ZINC000332991908 498859760 /nfs/dbraw/zinc/85/97/60/498859760.db2.gz ABWTWSXDYPNQRM-IIMDRIAPSA-N 2 0 373.545 3.013 20 0 FGADRP COc1cccc(NC(=O)CC[NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000298881272 498906220 /nfs/dbraw/zinc/90/62/20/498906220.db2.gz KESXZMJLZNDWEA-DLBZAZTESA-N 2 0 359.514 3.266 20 0 FGADRP CCC[N@H+](Cc1ccnc(C)n1)C1CCN(c2cc(C)nc(C)n2)CC1 ZINC000366459142 498936570 /nfs/dbraw/zinc/93/65/70/498936570.db2.gz MJTQHXLNYMAILF-UHFFFAOYSA-N 2 0 354.502 3.073 20 0 FGADRP C[C@@H]1C[C@@H](NC(=O)C(C)(C)[C@@H]([NH3+])c2ccccc2)C[N@@H+]1Cc1ccccc1 ZINC000570207694 506115310 /nfs/dbraw/zinc/11/53/10/506115310.db2.gz MHZYKLQDKFUBQX-UIFIKXQLSA-N 2 0 365.521 3.492 20 0 FGADRP COC(=O)c1ccc(-c2nc(CN3CC[C@]4(CC[N@H+](C)C4)C3)cs2)cc1 ZINC000366479142 498944200 /nfs/dbraw/zinc/94/42/00/498944200.db2.gz GLLGRKSAQDELRB-FQEVSTJZSA-N 2 0 371.506 3.124 20 0 FGADRP COC(=O)c1cc(C[NH2+]Cc2ccccc2C[NH+]2CCCCCC2)cn1C ZINC000576266308 506116563 /nfs/dbraw/zinc/11/65/63/506116563.db2.gz VGLMNZURUYKFMD-UHFFFAOYSA-N 2 0 369.509 3.478 20 0 FGADRP C[C@@H]1CCC[N@@H+]1C1CCN(C(=O)[C@H]2CCC[NH+]2Cc2ccccc2)CC1 ZINC000366507376 498957131 /nfs/dbraw/zinc/95/71/31/498957131.db2.gz APFUNKPAYDRSJE-WIYYLYMNSA-N 2 0 355.526 3.126 20 0 FGADRP C[NH+]1CCC2(CC1)C[C@H]([NH2+]Cc1cnn3ccccc13)c1ccccc1O2 ZINC000366532549 498968466 /nfs/dbraw/zinc/96/84/66/498968466.db2.gz PPALNIQRCNZMNU-IBGZPJMESA-N 2 0 362.477 3.412 20 0 FGADRP C[N@@H+]1CC[C@]2(CC[NH+](CCC3CCN(C(=O)OC(C)(C)C)CC3)C2)C1 ZINC000366532838 498968647 /nfs/dbraw/zinc/96/86/47/498968647.db2.gz TWQDKLOEIVSDKT-FQEVSTJZSA-N 2 0 351.535 3.051 20 0 FGADRP CC1CC[NH+](Cc2ccc(CNC(=O)C[C@H]3CCCC[C@@H]3[NH3+])cc2)CC1 ZINC000573115972 506122360 /nfs/dbraw/zinc/12/23/60/506122360.db2.gz YOTRXQRVGXZDEQ-RTWAWAEBSA-N 2 0 357.542 3.442 20 0 FGADRP C[C@@H]([NH3+])[C@H]1CCCN(C(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)C1 ZINC000582051917 506122847 /nfs/dbraw/zinc/12/28/47/506122847.db2.gz ULQCLSJIJFRIQX-NQIIRXRSSA-N 2 0 372.557 3.331 20 0 FGADRP CSc1ccc([C@@H](C)[NH2+][C@@H]2CCN(C3CC[NH+](C)CC3)C2)cc1F ZINC000363782531 498989381 /nfs/dbraw/zinc/98/93/81/498989381.db2.gz IBKIIOIELOFVAQ-GDBMZVCRSA-N 2 0 351.535 3.367 20 0 FGADRP CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]Cc2cnc[nH]2)[C@H](c2ccccc2)C1 ZINC000366593803 498994226 /nfs/dbraw/zinc/99/42/26/498994226.db2.gz JLKUOHZITYBOPA-ZWKOTPCHSA-N 2 0 356.470 3.293 20 0 FGADRP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+]C[C@@](C)(O)c1ccccc1Cl ZINC000363794963 498996700 /nfs/dbraw/zinc/99/67/00/498996700.db2.gz FHIBEAMGVUETBG-WOUAJJJCSA-N 2 0 366.933 3.027 20 0 FGADRP C[C@@H]1CN(C(=O)c2oc3ccccc3c2C[NH+](C)C)CC[N@@H+](C2CC2)C1 ZINC000295452055 499021159 /nfs/dbraw/zinc/02/11/59/499021159.db2.gz WOPFZGMLTCJVHB-HNNXBMFYSA-N 2 0 355.482 3.051 20 0 FGADRP C[C@H]1CC2(C[N@@H+]1Cc1nc(-c3cc(F)c(F)c(F)c3)no1)CC[NH2+]CC2 ZINC000333601144 499039592 /nfs/dbraw/zinc/03/95/92/499039592.db2.gz QLLKZKNVIHWXHT-NSHDSACASA-N 2 0 366.387 3.118 20 0 FGADRP Cn1cc([C@H]2[C@H](C[NH2+]Cc3ncc(C(C)(C)C)s3)CCCN2C)cn1 ZINC000363993213 499078024 /nfs/dbraw/zinc/07/80/24/499078024.db2.gz JVNDSPLNYVJNQN-KBXCAEBGSA-N 2 0 361.559 3.347 20 0 FGADRP CC[NH+](CC)Cc1ccccc1C[NH2+]Cc1cnnn1Cc1ccccc1 ZINC000291850213 499084871 /nfs/dbraw/zinc/08/48/71/499084871.db2.gz DHRBDRRMKAISSE-UHFFFAOYSA-N 2 0 363.509 3.458 20 0 FGADRP CCc1cccc(NC(=[NH2+])NCCC2CC[NH+](C3CCN(C)CC3)CC2)c1 ZINC000364041868 499096920 /nfs/dbraw/zinc/09/69/20/499096920.db2.gz YKVLSMOBFUUJPV-UHFFFAOYSA-N 2 0 371.573 3.382 20 0 FGADRP CCCN(CCC[NH+](C)C)C(=O)NC[C@@H]1CC[N@H+](C)[C@H]1c1cccs1 ZINC000364051643 499100875 /nfs/dbraw/zinc/10/08/75/499100875.db2.gz KUEWVQNPEOMOOQ-FUHWJXTLSA-N 2 0 366.575 3.114 20 0 FGADRP Cc1ccc([C@H](CNC(=O)[C@H]2C[NH2+]Cc3ccccc32)[NH+]2CCCC2)cc1 ZINC000576342786 506134961 /nfs/dbraw/zinc/13/49/61/506134961.db2.gz XQKWRNRPWNCURW-VXKWHMMOSA-N 2 0 363.505 3.135 20 0 FGADRP C[NH+](C)Cc1ccc(-c2noc(C3CC[NH+]([C@H]4CCSC4)CC3)n2)cc1 ZINC000570294535 506135254 /nfs/dbraw/zinc/13/52/54/506135254.db2.gz SWYMLFAXDJRMBT-SFHVURJKSA-N 2 0 372.538 3.483 20 0 FGADRP COCCC[C@@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccc(F)cc1 ZINC000367022034 499135217 /nfs/dbraw/zinc/13/52/17/499135217.db2.gz GYTUIQOENKAHMR-PZJWPPBQSA-N 2 0 363.521 3.052 20 0 FGADRP C[C@H]1CCC[N@@H+]1C1CCN(C[C@H]2C[NH+](Cc3ccccc3)CCCO2)CC1 ZINC000367071758 499143738 /nfs/dbraw/zinc/14/37/38/499143738.db2.gz CLPDRQPWJHGOLU-REWPJTCUSA-N 2 0 371.569 3.226 20 0 FGADRP Cc1cccc(C[NH+]2CCC(NC(=O)N(C)[C@@H]3CC[N@H+](C)[C@H](C)C3)CC2)c1 ZINC000369892262 499146575 /nfs/dbraw/zinc/14/65/75/499146575.db2.gz LPEKFJOXIFFIIZ-WIYYLYMNSA-N 2 0 372.557 3.084 20 0 FGADRP CC(C)[NH+]1CCN([C@H]2CC[N@H+](CCCSCc3ccccc3)C2)CC1 ZINC000367141515 499153694 /nfs/dbraw/zinc/15/36/94/499153694.db2.gz PVAXSXGBQKRCME-NRFANRHFSA-N 2 0 361.599 3.410 20 0 FGADRP CC[C@H]([NH2+]Cc1c(C)nn(C)c1N1CCC[N@H+](C)CC1)c1cccc(F)c1 ZINC000372685349 499160592 /nfs/dbraw/zinc/16/05/92/499160592.db2.gz TTWZQWJMXNKUKQ-FQEVSTJZSA-N 2 0 373.520 3.250 20 0 FGADRP CC(C)CC(=O)N1CCC(C[N@@H+]2CC[C@H]3[C@@H](CCCN3C3CC3)C2)CC1 ZINC000367252184 499168361 /nfs/dbraw/zinc/16/83/61/499168361.db2.gz LKNHDXHWHYTBRD-FPOVZHCZSA-N 2 0 361.574 3.220 20 0 FGADRP C[NH+](C)CCOc1ccc(NC(=O)[C@H]2CCCc3nc[nH]c32)cc1Cl ZINC000367387644 499192817 /nfs/dbraw/zinc/19/28/17/499192817.db2.gz HBMLVSOBJJLZNF-ZDUSSCGKSA-N 2 0 362.861 3.062 20 0 FGADRP c1nc2n(c1C[NH2+][C@H]1CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]31)CCCC2 ZINC000367437860 499199032 /nfs/dbraw/zinc/19/90/32/499199032.db2.gz KADOQXTXINLRQF-TYPHKJRUSA-N 2 0 350.510 3.220 20 0 FGADRP Cc1cccn2c(C[NH2+]Cc3ccc(OC4CC[NH+](C)CC4)cc3)cnc12 ZINC000370277867 499205112 /nfs/dbraw/zinc/20/51/12/499205112.db2.gz ZIPAAWGXJMTAMO-UHFFFAOYSA-N 2 0 364.493 3.406 20 0 FGADRP OC[C@H](C[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)c1cccnc1 ZINC000367566063 499213293 /nfs/dbraw/zinc/21/32/93/499213293.db2.gz RMYHSYUCJSNJCR-WZYRSQIMSA-N 2 0 365.521 3.048 20 0 FGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+][C@@H]2CCCc3n[nH]cc32)CC1 ZINC000367589803 499215611 /nfs/dbraw/zinc/21/56/11/499215611.db2.gz QUWOWTUJCGBOSM-DNVCBOLYSA-N 2 0 371.504 3.419 20 0 FGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+][C@@H]2CCCc3n[nH]cc32)CC1 ZINC000367589804 499215667 /nfs/dbraw/zinc/21/56/67/499215667.db2.gz QUWOWTUJCGBOSM-HNAYVOBHSA-N 2 0 371.504 3.419 20 0 FGADRP C[C@@H]1C[NH+](Cc2ccc(C[NH2+][C@H]3CCCc4n[nH]cc43)cc2)C[C@@H](C)O1 ZINC000367614417 499217797 /nfs/dbraw/zinc/21/77/97/499217797.db2.gz HUDIQLYRCBYLAZ-QINHECLXSA-N 2 0 354.498 3.186 20 0 FGADRP O=C(NCc1ccccc1C[NH+]1CCCC1)NC1CC([NH+]2CCCCC2)C1 ZINC000370482617 499224816 /nfs/dbraw/zinc/22/48/16/499224816.db2.gz CFTIVUOZIYYGIG-UHFFFAOYSA-N 2 0 370.541 3.099 20 0 FGADRP Cc1ccc(OC(F)F)c([C@H](C)[NH2+][C@H]2CCN(C3CC[NH+](C)CC3)C2)c1 ZINC000370623976 499236873 /nfs/dbraw/zinc/23/68/73/499236873.db2.gz FCDXEDPXEMAXOA-HOTGVXAUSA-N 2 0 367.484 3.416 20 0 FGADRP [NH3+][C@@H]1CCC[C@@H](C(=O)N2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)C1 ZINC000370763381 499252287 /nfs/dbraw/zinc/25/22/87/499252287.db2.gz KANMKXICPVYXIT-SJBKTWHCSA-N 2 0 355.526 3.019 20 0 FGADRP C[C@H](C(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)[C@@H]([NH3+])c1ccccc1 ZINC000370763845 499252725 /nfs/dbraw/zinc/25/27/25/499252725.db2.gz PWJXGYVJMUVZPB-CZTZKLFOSA-N 2 0 365.521 3.351 20 0 FGADRP Cn1cc2c(n1)CCC[C@H]2[NH2+][C@@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21 ZINC000368184741 499272520 /nfs/dbraw/zinc/27/25/20/499272520.db2.gz LLDMRHZKILGETD-UYAOXDASSA-N 2 0 366.509 3.375 20 0 FGADRP C[C@H]1C[N@H+](CCOc2cccc3ccccc32)CC[C@H]1N1CC[NH+](C)CC1 ZINC000371301595 499307417 /nfs/dbraw/zinc/30/74/17/499307417.db2.gz GIUNLJFRXJMONS-SIKLNZKXSA-N 2 0 367.537 3.176 20 0 FGADRP C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@@H]1[NH2+]Cc1ccc2c(c1)COC(C)(C)O2 ZINC000368649616 499317245 /nfs/dbraw/zinc/31/72/45/499317245.db2.gz HCDAJYIUHZVXNU-AHRSYUTCSA-N 2 0 374.525 3.311 20 0 FGADRP c1cc(C[C@H]2CC[NH+](CCC[N@@H+]3CC[C@H](Cc4ccncc4)C3)C2)ccn1 ZINC000368772771 499330715 /nfs/dbraw/zinc/33/07/15/499330715.db2.gz ACJIUDOMDVQNNH-DHIUTWEWSA-N 2 0 364.537 3.296 20 0 FGADRP COC1(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)CCOCC1 ZINC000369001770 499355619 /nfs/dbraw/zinc/35/56/19/499355619.db2.gz QQLLRFRACXLZNF-RTWAWAEBSA-N 2 0 358.526 3.169 20 0 FGADRP CCC[NH+]1CCC(N2CC[NH+](CCCOCc3ccccc3)CC2)CC1 ZINC000371808968 499367725 /nfs/dbraw/zinc/36/77/25/499367725.db2.gz MDACDQRYTXTPLA-UHFFFAOYSA-N 2 0 359.558 3.085 20 0 FGADRP CC(C)(C)[NH+]1CCC([NH2+][C@H]2CCc3nnc(Cc4ccccc4)n3C2)CC1 ZINC000369230436 499380433 /nfs/dbraw/zinc/38/04/33/499380433.db2.gz VDTRCZFXNQWARH-IBGZPJMESA-N 2 0 367.541 3.036 20 0 FGADRP C[NH+](C)[C@H](Cc1ccccc1)C(=O)NC[C@H]1CC[N@H+](C)[C@@H]1c1cccs1 ZINC000369571209 499420053 /nfs/dbraw/zinc/42/00/53/499420053.db2.gz VRCBMAQBFUGWIE-GGPKGHCWSA-N 2 0 371.550 3.030 20 0 FGADRP CC(C)[C@@H]1C[C@@H]([NH2+]CCC2CC[NH+](C3CCN(C)CC3)CC2)CS1 ZINC000372980727 499445626 /nfs/dbraw/zinc/44/56/26/499445626.db2.gz PGZAYHCFIFPWDZ-QUCCMNQESA-N 2 0 353.620 3.302 20 0 FGADRP Cc1ccc([C@@H](CNC(=O)NC2CC([NH+]3CCCCC3)C2)[NH+]2CCCC2)o1 ZINC000373487795 499472832 /nfs/dbraw/zinc/47/28/32/499472832.db2.gz XPQQHMBKILAAGJ-CTWPCTMYSA-N 2 0 374.529 3.041 20 0 FGADRP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2Cc1cccc(-c2ccccn2)c1 ZINC000378368304 499507665 /nfs/dbraw/zinc/50/76/65/499507665.db2.gz GLPKUACTOBAUAM-HJNYFJLDSA-N 2 0 351.494 3.432 20 0 FGADRP C[C@@H]1CN(Cc2cscc2C(F)(F)F)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000576392756 506147740 /nfs/dbraw/zinc/14/77/40/506147740.db2.gz WGSSHRSXXPMVFO-CJNGLKHVSA-N 2 0 361.477 3.225 20 0 FGADRP C[N@H+](Cc1cc(Br)cs1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000378425038 499515655 /nfs/dbraw/zinc/51/56/55/499515655.db2.gz FUOBBBSAOIRORZ-OAHLLOKOSA-N 2 0 372.376 3.111 20 0 FGADRP CC(C)[C@H](O)C1(C[NH2+]Cc2ccccc2N(C)C2CC[NH+](C)CC2)CC1 ZINC000378447938 499518119 /nfs/dbraw/zinc/51/81/19/499518119.db2.gz CKSQNCGQEVKSQC-NRFANRHFSA-N 2 0 359.558 3.104 20 0 FGADRP Cc1ncc(CN2CC[C@H]([NH2+]CCC[NH+]3CCCCC3)[C@@H](C)C2)s1 ZINC000375484583 499524461 /nfs/dbraw/zinc/52/44/61/499524461.db2.gz BVDAMXZEKUBYFX-LPHOPBHVSA-N 3 0 350.576 3.128 20 0 FGADRP CC[NH+](CC)Cc1cc([C@H](C)[NH2+][C@H]2CCc3c[nH]nc3C2)ccc1OC ZINC000378510726 499526025 /nfs/dbraw/zinc/52/60/25/499526025.db2.gz INNAKQAZBCWEFN-KXBFYZLASA-N 2 0 356.514 3.468 20 0 FGADRP CC(C)c1nccc(C2CC[NH+](CCCN3CC[NH+](C(C)C)CC3)CC2)n1 ZINC000375601197 499536851 /nfs/dbraw/zinc/53/68/51/499536851.db2.gz XJUWJHQRLGSEPA-UHFFFAOYSA-N 2 0 373.589 3.196 20 0 FGADRP c1cncc(CN2CCC[C@H](C[NH2+]CCCc3ccc4c(c3)CCO4)C2)c1 ZINC000375638397 499540233 /nfs/dbraw/zinc/54/02/33/499540233.db2.gz GERXPOUUADQRHD-OAQYLSRUSA-N 2 0 365.521 3.451 20 0 FGADRP COC(=O)c1ccc(C[NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1F ZINC000388269795 499550305 /nfs/dbraw/zinc/55/03/05/499550305.db2.gz MZVARIDFYBMEQY-SFHVURJKSA-N 2 0 356.441 3.224 20 0 FGADRP COc1ccc(Cl)cc1NC(=O)CC[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000375765015 499553267 /nfs/dbraw/zinc/55/32/67/499553267.db2.gz TWNPUERXRWYSRI-XYPWUTKMSA-N 2 0 365.905 3.234 20 0 FGADRP [NH3+]C1(C(=O)NCCC[NH+](Cc2ccccc2)Cc2ccccc2)CCC1 ZINC000390736900 499555147 /nfs/dbraw/zinc/55/51/47/499555147.db2.gz IYYFMGINWIQTDN-UHFFFAOYSA-N 2 0 351.494 3.077 20 0 FGADRP OC1(C[NH2+]Cc2cc(F)c(F)c(F)c2)CC[NH+](Cc2ccccc2)CC1 ZINC000397575103 499564414 /nfs/dbraw/zinc/56/44/14/499564414.db2.gz AWVWLDKRWZWHJL-UHFFFAOYSA-N 2 0 364.411 3.221 20 0 FGADRP Cc1cccc(OC[C@H](O)C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000397960960 499565512 /nfs/dbraw/zinc/56/55/12/499565512.db2.gz DZJHZXCAJIWAQY-KJXAQDMKSA-N 2 0 368.521 3.235 20 0 FGADRP CC(C)CC[NH+]1CCC(CNC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000376687946 499629300 /nfs/dbraw/zinc/62/93/00/499629300.db2.gz NJZFXMXDIRBKTQ-YOFSQIOKSA-N 2 0 364.578 3.011 20 0 FGADRP Cc1nc(CNC(=O)N[C@@H](C)[C@@H](c2ccccc2)[NH+](C)C)c2n1CCCC2 ZINC000376886132 499643626 /nfs/dbraw/zinc/64/36/26/499643626.db2.gz GIILVCSITBHYIX-YWZLYKJASA-N 2 0 369.513 3.018 20 0 FGADRP CN1c2ccc(C[NH2+]C[C@H]3CC[N@H+](C)[C@@H]3c3ccccc3)cc2CCC1=O ZINC000376940841 499647930 /nfs/dbraw/zinc/64/79/30/499647930.db2.gz KTJBPQNJFVQYEZ-NFBKMPQASA-N 2 0 363.505 3.378 20 0 FGADRP C[N@@H+]1CCCC12CC[NH+](CC1CCN(C(=O)OC(C)(C)C)CC1)CC2 ZINC000377199009 499670189 /nfs/dbraw/zinc/67/01/89/499670189.db2.gz SGSCRZHUALCRLY-UHFFFAOYSA-N 2 0 351.535 3.194 20 0 FGADRP C[NH+]1CCN(C[C@@H]2CCC[N@H+](Cc3cccc(OC(F)(F)F)c3)C2)CC1 ZINC000377618228 499710974 /nfs/dbraw/zinc/71/09/74/499710974.db2.gz BVJPLSBWCXCYNA-KRWDZBQOSA-N 2 0 371.447 3.045 20 0 FGADRP C[N@@H+]1CC[C@H](CNCc2nccn2CC(F)(F)F)[C@H]1c1ccccc1 ZINC000377763730 499730295 /nfs/dbraw/zinc/73/02/95/499730295.db2.gz RYKYTVZFMRBOBK-NVXWUHKLSA-N 2 0 352.404 3.228 20 0 FGADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411401796 499735119 /nfs/dbraw/zinc/73/51/19/499735119.db2.gz RHRMNIVFGULDLB-ZLNRFVROSA-N 2 0 371.569 3.356 20 0 FGADRP CC(C)[NH+]1CCC(NC(=O)C[NH2+][C@@H](C)c2cccc3ccccc32)CC1 ZINC000411435464 499739927 /nfs/dbraw/zinc/73/99/27/499739927.db2.gz DBYAAOWTBWPBEY-KRWDZBQOSA-N 2 0 353.510 3.479 20 0 FGADRP COc1cccc2c1CC[C@@H]2[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000414311763 499776332 /nfs/dbraw/zinc/77/63/32/499776332.db2.gz VGSBJXYZIMFHSX-NRFANRHFSA-N 2 0 366.505 3.299 20 0 FGADRP C[C@H]1OCC[C@]12C[N@H+](Cc1ccc(C[NH+]3CCCCC3)cc1)C[C@@H](C)O2 ZINC000411676848 499776628 /nfs/dbraw/zinc/77/66/28/499776628.db2.gz QGVUMJDIQJEZRO-KNKQGSTJSA-N 2 0 358.526 3.441 20 0 FGADRP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1)c1cccs1 ZINC000414320172 499777245 /nfs/dbraw/zinc/77/72/45/499777245.db2.gz BIAZVYKVGVDKSU-OAHLLOKOSA-N 2 0 357.523 3.296 20 0 FGADRP NC(=O)C1CC[NH+](Cc2ccc(C[NH2+][C@@H]3CC[C@H]3C3CCC3)cc2)CC1 ZINC000414335000 499778596 /nfs/dbraw/zinc/77/85/96/499778596.db2.gz HBCDTJXIQHXTGB-LEWJYISDSA-N 2 0 355.526 3.052 20 0 FGADRP O=C([C@H]1CC[N@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C1)N1CCCC1 ZINC000411743573 499785494 /nfs/dbraw/zinc/78/54/94/499785494.db2.gz SJMYMCPFZJZDCV-NRFANRHFSA-N 2 0 355.526 3.117 20 0 FGADRP COC(=O)c1cc(CN2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)cs1 ZINC000411749210 499785977 /nfs/dbraw/zinc/78/59/77/499785977.db2.gz VBYHNOABTOSMQN-RBUKOAKNSA-N 2 0 370.518 3.489 20 0 FGADRP CC[C@@H](C)[NH+]1CCN(CC[C@H](C)CCN2CC[NH+]([C@@H](C)CC)CC2)CC1 ZINC000411787398 499790716 /nfs/dbraw/zinc/79/07/16/499790716.db2.gz FAYUFJXAUAMLOB-KOUNCHBCSA-N 2 0 366.638 3.235 20 0 FGADRP [NH3+]CC(=O)N1CCC[C@@H](C[N@@H+]2CCC[C@@H]2c2cccc3ccccc32)C1 ZINC000414683485 499820459 /nfs/dbraw/zinc/82/04/59/499820459.db2.gz BGUVHNFOSZTNLF-LAUBAEHRSA-N 2 0 351.494 3.174 20 0 FGADRP C[C@@H](c1ccc(Cl)c(Cl)c1)[N@H+](C)C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414738556 499825083 /nfs/dbraw/zinc/82/50/83/499825083.db2.gz PHEVJMGIKZHXQZ-QWHCGFSZSA-N 2 0 358.313 3.184 20 0 FGADRP Cc1nn(Cc2ccccc2)c(C)c1C[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414787213 499831145 /nfs/dbraw/zinc/83/11/45/499831145.db2.gz VKCPAWIMLQYNNH-NHCUHLMSSA-N 2 0 352.526 3.370 20 0 FGADRP CCCOc1c(C[N@@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)cccc1OCC ZINC000414791759 499831534 /nfs/dbraw/zinc/83/15/34/499831534.db2.gz QVCRXGNKMLRERA-SFHVURJKSA-N 2 0 362.514 3.061 20 0 FGADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)c2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000412188286 499832162 /nfs/dbraw/zinc/83/21/62/499832162.db2.gz VZJKHUWCOBFEAZ-HXUWFJFHSA-N 2 0 357.542 3.380 20 0 FGADRP COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])cc1OCc1cccnc1 ZINC000414802803 499833008 /nfs/dbraw/zinc/83/30/08/499833008.db2.gz NEJLECKWFUZITO-RBUKOAKNSA-N 2 0 355.482 3.276 20 0 FGADRP CC[NH+]1CCN(c2ccccc2C[NH2+]Cc2ccc([C@H](C)[NH3+])cc2)CC1 ZINC000414806592 499833198 /nfs/dbraw/zinc/83/31/98/499833198.db2.gz HSYBTWUJTXOVKI-SFHVURJKSA-N 3 0 352.526 3.138 20 0 FGADRP Brc1ccc(C[NH2+]C[C@H]2CCC[NH2+]C2)cc1Br ZINC000414832481 499835271 /nfs/dbraw/zinc/83/52/71/499835271.db2.gz QNJOYHQUNLWKOH-NSHDSACASA-N 2 0 362.109 3.301 20 0 FGADRP Brc1ccccc1CN1CCC([NH2+]CC[C@@H]2CC[NH2+]C2)CC1 ZINC000414837182 499836166 /nfs/dbraw/zinc/83/61/66/499836166.db2.gz UHOOGIFTEMMAOQ-HNNXBMFYSA-N 2 0 366.347 3.003 20 0 FGADRP C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+][C@H](C)[C@H]1CCC[NH2+]C1 ZINC000414851387 499838070 /nfs/dbraw/zinc/83/80/70/499838070.db2.gz JCOPKYIZMPVHKG-OAGGEKHMSA-N 2 0 351.922 3.055 20 0 FGADRP COc1ccc(OC)c(NC(=O)C[C@@H](C)[NH2+]CC2([NH3+])CCCCCC2)c1 ZINC000414859497 499838836 /nfs/dbraw/zinc/83/88/36/499838836.db2.gz MWRIUAQXGYGFLQ-OAHLLOKOSA-N 2 0 363.502 3.062 20 0 FGADRP Cc1cccn2cc(COc3ccc(C[NH2+]CC[C@H]4CCC[NH2+]4)cc3)nc12 ZINC000414898515 499843038 /nfs/dbraw/zinc/84/30/38/499843038.db2.gz APHAHDXLDKQBTH-LJQANCHMSA-N 2 0 364.493 3.453 20 0 FGADRP C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]CC1(C)CC[NH2+]CC1 ZINC000414912630 499844091 /nfs/dbraw/zinc/84/40/91/499844091.db2.gz VMCRAYMXCJKCGR-CYBMUJFWSA-N 2 0 368.319 3.146 20 0 FGADRP COc1ccc(C(=O)Nc2cccc(C[NH2+]CC3(C)CC[NH2+]CC3)c2)cc1 ZINC000414911496 499843859 /nfs/dbraw/zinc/84/38/59/499843859.db2.gz UFXKVCOKIPITMV-UHFFFAOYSA-N 2 0 367.493 3.427 20 0 FGADRP CCCOc1c(Br)cc(CN[C@H]2C[NH2+]CC[C@H]2C)cc1OC ZINC000414930817 499845580 /nfs/dbraw/zinc/84/55/80/499845580.db2.gz PJSMOHMVCKAFCX-DOMZBBRYSA-N 2 0 371.319 3.334 20 0 FGADRP [NH3+][C@@H]1CCC[C@H](C[NH2+]Cc2cn(-c3cccc(Cl)c3Cl)nn2)C1 ZINC000414990690 499852102 /nfs/dbraw/zinc/85/21/02/499852102.db2.gz AKQJWJVLRTUAOO-NWDGAFQWSA-N 2 0 354.285 3.181 20 0 FGADRP C[C@H](CCCC[NH3+])[NH2+][C@H](C)CC(=O)Nc1ccc(Br)cc1 ZINC000415014551 499855088 /nfs/dbraw/zinc/85/50/88/499855088.db2.gz MROZUOAOVPIMDF-CHWSQXEVSA-N 2 0 356.308 3.273 20 0 FGADRP C[C@@H](CCCC[NH3+])[NH2+]Cc1nc(-c2ccc(Br)cc2)c[nH]1 ZINC000415021431 499855648 /nfs/dbraw/zinc/85/56/48/499855648.db2.gz YOLITIZERJWUGK-LBPRGKRZSA-N 2 0 351.292 3.446 20 0 FGADRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C1CCN(C(=O)c2ccccc2F)CC1 ZINC000415077707 499861171 /nfs/dbraw/zinc/86/11/71/499861171.db2.gz HWPKJANFUIFPRC-WMZOPIPTSA-N 2 0 361.505 3.331 20 0 FGADRP C[C@H]1C[C@@H](C[NH2+]CCOc2ncc(C(F)(F)F)cc2Cl)CC[NH2+]1 ZINC000415087882 499862210 /nfs/dbraw/zinc/86/22/10/499862210.db2.gz VOFQQDRZVLXTSK-QWRGUYRKSA-N 2 0 351.800 3.110 20 0 FGADRP Cc1nc(CN2CCC(C[NH2+][C@H](C)C[C@H]3CCCCC[NH2+]3)CC2)oc1C ZINC000415093853 499862764 /nfs/dbraw/zinc/86/27/64/499862764.db2.gz WIJORMCGBLJDMI-OXQOHEQNSA-N 2 0 362.562 3.404 20 0 FGADRP [NH3+]C1CCC([NH2+][C@@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)CC1 ZINC000415102096 499863561 /nfs/dbraw/zinc/86/35/61/499863561.db2.gz JHBUYKCPCRZYFR-OFLPRAFFSA-N 2 0 369.431 3.056 20 0 FGADRP [NH3+][C@H]1CCCO[C@H]1C1CC[NH+](Cc2ccc(OCC(F)F)cc2)CC1 ZINC000415115136 499865355 /nfs/dbraw/zinc/86/53/55/499865355.db2.gz WHLNXYOTFBXSDC-HKUYNNGSSA-N 2 0 354.441 3.049 20 0 FGADRP CCCOc1ccc(C[NH+]2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)cc1OC ZINC000415121383 499866316 /nfs/dbraw/zinc/86/63/16/499866316.db2.gz GYRDGYVZWVEQJV-WIYYLYMNSA-N 2 0 362.514 3.202 20 0 FGADRP [NH3+][C@@H]1CCO[C@H](C2CC[NH+](Cc3ccccc3OCC(F)(F)F)CC2)C1 ZINC000415123567 499866990 /nfs/dbraw/zinc/86/69/90/499866990.db2.gz LGBXXHJWGRFFPY-AEFFLSMTSA-N 2 0 372.431 3.346 20 0 FGADRP [NH3+][C@@H]1CCO[C@H](C2CC[NH+](Cc3ccc(OCC(F)(F)F)cc3)CC2)C1 ZINC000415126048 499867237 /nfs/dbraw/zinc/86/72/37/499867237.db2.gz OVCDFSAFVAYXRQ-AEFFLSMTSA-N 2 0 372.431 3.346 20 0 FGADRP NC1(C[NH2+][C@H]2Cc3ccc(Cl)cc3C2)CC[NH+](Cc2ccccc2)CC1 ZINC000415133727 499868497 /nfs/dbraw/zinc/86/84/97/499868497.db2.gz NNCNTSADCPLGRI-NRFANRHFSA-N 2 0 369.940 3.390 20 0 FGADRP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](Cc2ccccc2OC(F)(F)F)CC1 ZINC000415138205 499869324 /nfs/dbraw/zinc/86/93/24/499869324.db2.gz YOVHKZYNSZHKPE-NVXWUHKLSA-N 2 0 358.404 3.304 20 0 FGADRP C[C@H](c1cccc(NC(=O)N[C@H](C[NH3+])C2CCCCC2)c1)N1CCOCC1 ZINC000415152163 499870844 /nfs/dbraw/zinc/87/08/44/499870844.db2.gz UGAJLSFWXLOLMQ-OXQOHEQNSA-N 2 0 374.529 3.109 20 0 FGADRP CC[NH+](CC)CCOc1ccc(NC(=O)NC[C@@H]([NH3+])c2ccccc2)cc1 ZINC000415177141 499873675 /nfs/dbraw/zinc/87/36/75/499873675.db2.gz HDQXPIFOZLNIGD-HXUWFJFHSA-N 2 0 370.497 3.229 20 0 FGADRP CC1CC[NH+](CCc2cccc(NC(=O)N[C@@H](CC[NH3+])C(F)F)c2)CC1 ZINC000415382449 499890427 /nfs/dbraw/zinc/89/04/27/499890427.db2.gz AKCYKGMBQFQXOR-KRWDZBQOSA-N 2 0 368.472 3.065 20 0 FGADRP C[NH+](C)[C@@H]1CCc2cc(NC(=O)N3CCC([NH2+]CC4CC4)CC3)ccc21 ZINC000415780840 499918372 /nfs/dbraw/zinc/91/83/72/499918372.db2.gz BYCSYNJZUJIGIO-HXUWFJFHSA-N 2 0 356.514 3.231 20 0 FGADRP C[NH+](C)[C@@H]1CCc2cc(NC(=O)N3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)ccc21 ZINC000415781820 499918413 /nfs/dbraw/zinc/91/84/13/499918413.db2.gz DLJBOCKHOQMFHW-FUHIMQAGSA-N 2 0 356.514 3.089 20 0 FGADRP Cc1cccc(CN(CC[NH+](C)C)C(=O)Nc2ccc3c(c2)C[NH2+]CC3)c1 ZINC000415881679 499924134 /nfs/dbraw/zinc/92/41/34/499924134.db2.gz IVAYTVXUDWLBJX-UHFFFAOYSA-N 2 0 366.509 3.236 20 0 FGADRP C[NH2+]Cc1ccccc1NC(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1C ZINC000415915110 499927949 /nfs/dbraw/zinc/92/79/49/499927949.db2.gz YFPUDLGMVJIECV-UHFFFAOYSA-N 2 0 367.497 3.110 20 0 FGADRP CC[NH2+]Cc1cccc(NC(=O)N[C@H](C)C[N@H+](C)Cc2ccccc2)c1 ZINC000415920757 499928864 /nfs/dbraw/zinc/92/88/64/499928864.db2.gz PJBLSAFJBATREH-QGZVFWFLSA-N 2 0 354.498 3.438 20 0 FGADRP C[NH2+]Cc1cccc(NC(=O)N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)c1 ZINC000415924499 499929238 /nfs/dbraw/zinc/92/92/38/499929238.db2.gz YNOZQFRUOVEGDC-IBGZPJMESA-N 2 0 358.530 3.382 20 0 FGADRP C[NH2+]Cc1ccccc1NC(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000415930017 499929716 /nfs/dbraw/zinc/92/97/16/499929716.db2.gz ZNHYUUIHQXVVRT-JXFKEZNVSA-N 2 0 352.482 3.048 20 0 FGADRP C[NH2+]Cc1cccc(NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)c1 ZINC000415931043 499930037 /nfs/dbraw/zinc/93/00/37/499930037.db2.gz LFPPUUXMLSATFY-JXFKEZNVSA-N 2 0 352.482 3.191 20 0 FGADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)Nc2ccc3c(c2F)CC[NH2+]C3)C1 ZINC000415963465 499934453 /nfs/dbraw/zinc/93/44/53/499934453.db2.gz VPQRBQZMSNKJMP-OAHLLOKOSA-N 2 0 362.493 3.105 20 0 FGADRP CCCN(CC[NH+](CC)CC)C(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000415967699 499934902 /nfs/dbraw/zinc/93/49/02/499934902.db2.gz DLRMMZHYAMMBDN-UHFFFAOYSA-N 2 0 350.482 3.057 20 0 FGADRP C[C@H](C[NH+]1CCCCC1)NC(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000415971637 499935754 /nfs/dbraw/zinc/93/57/54/499935754.db2.gz NTBKLEOOSLQBDF-GFCCVEGCSA-N 2 0 358.408 3.160 20 0 FGADRP C[NH2+]Cc1ccc(NC(=O)N[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)cc1 ZINC000415973113 499935834 /nfs/dbraw/zinc/93/58/34/499935834.db2.gz NTGVLCNOJDDPFC-JXFKEZNVSA-N 2 0 352.482 3.191 20 0 FGADRP C[N@H+](CCCCNC(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1)C1CC1 ZINC000415974781 499936299 /nfs/dbraw/zinc/93/62/99/499936299.db2.gz SFVWHYYJBYSMNX-UHFFFAOYSA-N 2 0 358.408 3.160 20 0 FGADRP C[NH2+]Cc1ccc(NC(=O)N2CC[N@H+](Cc3ccccc3)C[C@H](C)C2)cc1 ZINC000415984558 499937420 /nfs/dbraw/zinc/93/74/20/499937420.db2.gz PVXWZTDYEZAWLF-SFHVURJKSA-N 2 0 366.509 3.392 20 0 FGADRP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)N[C@@H](CCC[NH3+])c1ccccc1 ZINC000417041317 499956030 /nfs/dbraw/zinc/95/60/30/499956030.db2.gz KZWXILWXSCFCMM-ICSRJNTNSA-N 2 0 360.546 3.420 20 0 FGADRP COc1ccc2ccccc2c1C[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000570437451 506167539 /nfs/dbraw/zinc/16/75/39/506167539.db2.gz YICUTZWLLGRTQQ-UHFFFAOYSA-N 2 0 355.526 3.306 20 0 FGADRP C[NH+](C)CCc1ccc(CNC(=O)C[C@H](c2ccccc2)[NH+](C)C)cc1 ZINC000416211371 499983009 /nfs/dbraw/zinc/98/30/09/499983009.db2.gz AUQKOCYRFFKAFH-OAQYLSRUSA-N 2 0 353.510 3.100 20 0 FGADRP CN(CCC[N@H+](C)Cc1ccco1)C(=O)C[C@@H](c1ccccc1)[NH+](C)C ZINC000416231250 499988251 /nfs/dbraw/zinc/98/82/51/499988251.db2.gz AZOPOPNFJHSFQI-FQEVSTJZSA-N 2 0 357.498 3.253 20 0 FGADRP C(=C\C[N@@H+]1CCOC[C@H](C2CCC2)C1)\C[NH+]1CCOC[C@H](C2CCC2)C1 ZINC000429033362 499989394 /nfs/dbraw/zinc/98/93/94/499989394.db2.gz FXGXBHVOWWNDLV-KTAFUJLCSA-N 2 0 362.558 3.040 20 0 FGADRP C[NH2+]C[C@H]1CCCN(C(=O)NC[C@H](c2ccccc2)[NH+]2CCC(C)CC2)C1 ZINC000417212999 500006674 /nfs/dbraw/zinc/00/66/74/500006674.db2.gz IMTQHDQZNLTSHN-TZIWHRDSSA-N 2 0 372.557 3.101 20 0 FGADRP C[NH2+][C@H]1CCCN(C(=O)NCc2ccccc2C[N@H+](C)C2CCCCC2)C1 ZINC000417219056 500009192 /nfs/dbraw/zinc/00/91/92/500009192.db2.gz LZATWNMCRSVSRC-FQEVSTJZSA-N 2 0 372.557 3.345 20 0 FGADRP C[C@H]1CN(C(=O)c2cccc(C[N@H+](C)Cc3ccccc3)c2)CC[C@@H]1[NH3+] ZINC000429192124 500022100 /nfs/dbraw/zinc/02/21/00/500022100.db2.gz ZGOFZFFCBLERKU-UWJYYQICSA-N 2 0 351.494 3.128 20 0 FGADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1C[C@H](C)C[C@@H](C(=O)OC(C)(C)C)C1 ZINC000421383835 500033236 /nfs/dbraw/zinc/03/32/36/500033236.db2.gz LYOATLOPRDSEDE-NVXWUHKLSA-N 2 0 370.497 3.375 20 0 FGADRP CCCN(C(=O)NCC1CC[NH+](Cc2ccccc2)CC1)C1CC[NH2+]CC1 ZINC000417300540 500033756 /nfs/dbraw/zinc/03/37/56/500033756.db2.gz YAKPAEXRRKSZQV-UHFFFAOYSA-N 2 0 372.557 3.072 20 0 FGADRP CC[NH+](CC)[C@H](C(=O)N[C@H]1CCC[C@@H]1C[NH3+])c1cccc(C(F)(F)F)c1 ZINC000429269121 500038810 /nfs/dbraw/zinc/03/88/10/500038810.db2.gz UPYUYMQRLWATNQ-PVAVHDDUSA-N 2 0 371.447 3.332 20 0 FGADRP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]CC(C)(C)C3(O)CCOCC3)CC2)C1 ZINC000417377533 500053688 /nfs/dbraw/zinc/05/36/88/500053688.db2.gz GAGZRDFXXQHVRX-IEBWSBKVSA-N 2 0 352.563 3.187 20 0 FGADRP C[C@@H]1CN(C(=O)c2cccc(C[N@H+](C)Cc3ccccc3)c2)C[C@H](C)[NH2+]1 ZINC000429413346 500073619 /nfs/dbraw/zinc/07/36/19/500073619.db2.gz UHZQBKIOWNUQTA-HDICACEKSA-N 2 0 351.494 3.141 20 0 FGADRP CCC(C)(C)C[NH2+][C@H](C)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000429418997 500075246 /nfs/dbraw/zinc/07/52/46/500075246.db2.gz RWTJVQSSYGLFSE-MRXNPFEDSA-N 2 0 369.575 3.003 20 0 FGADRP CC1CC[NH+](Cc2cccc(CNC(=O)N3CCC[C@@H](CC[NH3+])C3)c2)CC1 ZINC000417458021 500080025 /nfs/dbraw/zinc/08/00/25/500080025.db2.gz CGELEXZZGWQQFV-IBGZPJMESA-N 2 0 372.557 3.189 20 0 FGADRP CC[NH+](CC)[C@@H](C(=O)N1CC[C@@H](C[NH2+]C)C1)c1cccc(C(F)(F)F)c1 ZINC000429459376 500081834 /nfs/dbraw/zinc/08/18/34/500081834.db2.gz YAUJPBDBDIMTTJ-WMLDXEAASA-N 2 0 371.447 3.156 20 0 FGADRP C[C@H]([NH3+])c1ccc(CNC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2)cc1 ZINC000429519383 500091941 /nfs/dbraw/zinc/09/19/41/500091941.db2.gz VWRMRJVEMCNIRQ-UWJYYQICSA-N 2 0 351.494 3.377 20 0 FGADRP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+](C)[C@H]2CC[C@@H](C)C2)CC1 ZINC000429564625 500104045 /nfs/dbraw/zinc/10/40/45/500104045.db2.gz FNOHXQFKGIVHNO-UTKZUKDTSA-N 2 0 357.542 3.196 20 0 FGADRP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)N[C@H](CCC[NH3+])c1ccccc1 ZINC000417554807 500107017 /nfs/dbraw/zinc/10/70/17/500107017.db2.gz KKPXCSLHQZFKQJ-VQTJNVASSA-N 2 0 360.546 3.420 20 0 FGADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCC3(CC[NH2+]CC3)CC2)C1 ZINC000417584008 500117140 /nfs/dbraw/zinc/11/71/40/500117140.db2.gz LSYXQCJCUVLYRK-GOSISDBHSA-N 2 0 364.578 3.062 20 0 FGADRP CCCN(C(=O)NCc1ccccc1C[NH+]1CCCCCC1)[C@@H]1CC[NH2+]C1 ZINC000417622645 500127613 /nfs/dbraw/zinc/12/76/13/500127613.db2.gz MILYCSVJOFSRIO-OAQYLSRUSA-N 2 0 372.557 3.346 20 0 FGADRP CC[NH+](CC)Cc1ccccc1CNC(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000416891913 500148321 /nfs/dbraw/zinc/14/83/21/500148321.db2.gz NWWIHQSBHNYQAI-FPOVZHCZSA-N 2 0 372.557 3.060 20 0 FGADRP CC[NH+](CC)Cc1ccccc1CNC(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000416889453 500148337 /nfs/dbraw/zinc/14/83/37/500148337.db2.gz KRNQCHFVRZCVDT-NRFANRHFSA-N 2 0 372.557 3.202 20 0 FGADRP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)NC[C@H]([NH3+])c2ccccc2)CC1 ZINC000417698307 500151603 /nfs/dbraw/zinc/15/16/03/500151603.db2.gz XNDKZWHMRIIJKD-UTKZUKDTSA-N 2 0 366.509 3.211 20 0 FGADRP [NH3+]C[C@H]1CC[C@H](CNC(=O)NCc2ccccc2C[NH+]2CCCCC2)CC1 ZINC000416907783 500153031 /nfs/dbraw/zinc/15/30/31/500153031.db2.gz VCZBVUPZSFCZQF-WGSAOQKQSA-N 2 0 372.557 3.237 20 0 FGADRP C[C@H]([NH2+]C1(CNC(=O)NC[C@@H]2CCC[C@@H]([NH3+])C2)CCCC1)c1ccccc1 ZINC000417708205 500153908 /nfs/dbraw/zinc/15/39/08/500153908.db2.gz RLLXGJUFSZJHAT-NLWGTHIKSA-N 2 0 372.557 3.467 20 0 FGADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1N[C@H](C)c1ncc(C(=O)OC)s1 ZINC000414117901 500158108 /nfs/dbraw/zinc/15/81/08/500158108.db2.gz SZHZOLVFGJXJLU-ILXRZTDVSA-N 2 0 353.532 3.481 20 0 FGADRP COc1cc(Cl)ccc1[C@@H](C)[NH2+]CC1CC[NH+](CCN(C)C)CC1 ZINC000421823906 500159743 /nfs/dbraw/zinc/15/97/43/500159743.db2.gz FWXMTPKKBOFPPW-OAHLLOKOSA-N 2 0 353.938 3.273 20 0 FGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@H](C)Cc2ccc(F)cc2Cl)CC1 ZINC000421823512 500159829 /nfs/dbraw/zinc/15/98/29/500159829.db2.gz DDAJXDOAPPPTKD-JKSUJKDBSA-N 2 0 355.929 3.273 20 0 FGADRP CC[NH+]1CCC(CCNC(=O)N[C@H](C[NH3+])c2ccc3ccccc3c2)CC1 ZINC000417753176 500164161 /nfs/dbraw/zinc/16/41/61/500164161.db2.gz SJZSBAKEJRIEFZ-OAQYLSRUSA-N 2 0 368.525 3.261 20 0 FGADRP CCC(CC)[C@H](CNC(=O)NCc1ccc([C@@H](C)[NH3+])cc1)[NH+]1CCCC1 ZINC000416962425 500167596 /nfs/dbraw/zinc/16/75/96/500167596.db2.gz UGHNKUMFAMICMG-UZLBHIALSA-N 2 0 360.546 3.406 20 0 FGADRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000416968388 500169361 /nfs/dbraw/zinc/16/93/61/500169361.db2.gz IXJMBLXHOPUVJZ-RXVVDRJESA-N 2 0 374.573 3.433 20 0 FGADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N2CCC[C@@H](CC[NH3+])C2)cc1 ZINC000416972859 500171470 /nfs/dbraw/zinc/17/14/70/500171470.db2.gz IUPTYJOIABUACO-ICSRJNTNSA-N 2 0 372.557 3.331 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000416973754 500172321 /nfs/dbraw/zinc/17/23/21/500172321.db2.gz KFXUWRRMLKDVMY-UIFIKXQLSA-N 2 0 370.541 3.097 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N(C2CC2)[C@@H]2CC[NH2+]C2)cc1 ZINC000416975931 500172878 /nfs/dbraw/zinc/17/28/78/500172878.db2.gz NMNOHZHDSVKNOG-DYESRHJHSA-N 2 0 370.541 3.097 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)NCCC[NH2+]C1CC1 ZINC000416983579 500174902 /nfs/dbraw/zinc/17/49/02/500174902.db2.gz XITSNQNXTLJVLW-QGZVFWFLSA-N 2 0 358.530 3.002 20 0 FGADRP CC[NH+]1CCN([C@@H](C)C[NH2+]Cc2cc(Cl)ccc2OCC2CC2)CC1 ZINC000430017591 500181234 /nfs/dbraw/zinc/18/12/34/500181234.db2.gz AMPBHBHHDAXHFX-INIZCTEOSA-N 2 0 365.949 3.244 20 0 FGADRP C[NH2+][C@H](CC(C)(C)C)C(=O)N1CCCC[C@@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000417841526 500181534 /nfs/dbraw/zinc/18/15/34/500181534.db2.gz XMNWFXPYAKTXFP-VAMGGRTRSA-N 2 0 359.558 3.209 20 0 FGADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000417843637 500182694 /nfs/dbraw/zinc/18/26/94/500182694.db2.gz QVEGVOIPQSECDR-YZGWKJHDSA-N 2 0 360.546 3.054 20 0 FGADRP C[NH+](C)[C@@H](CNC(=O)N[C@H](CCC[NH3+])c1ccccc1)c1ccsc1 ZINC000417015529 500184137 /nfs/dbraw/zinc/18/41/37/500184137.db2.gz MQJBNDNCKLLKAK-MSOLQXFVSA-N 2 0 360.527 3.130 20 0 FGADRP C[C@H](NC(=O)N[C@H](C[NH3+])c1ccc2ccccc2c1)C(C)(C)C[NH+](C)C ZINC000417857884 500184916 /nfs/dbraw/zinc/18/49/16/500184916.db2.gz OUZKOOVVEUHGNF-HNAYVOBHSA-N 2 0 356.514 3.115 20 0 FGADRP CC(C)C[C@H](CNC(=O)NC[C@H]1CCC[NH2+]C1)[NH2+][C@@H](C)c1ccccc1 ZINC000417864943 500187240 /nfs/dbraw/zinc/18/72/40/500187240.db2.gz BTMRXAJKWKXSGP-CMKODMSKSA-N 2 0 360.546 3.051 20 0 FGADRP CC(C)C[C@H](CNC(=O)N[C@H](C)[C@H]1CCC[NH2+]C1)[NH2+][C@@H](C)c1ccccc1 ZINC000417867160 500187716 /nfs/dbraw/zinc/18/77/16/500187716.db2.gz FEWMKXBLYBKFOD-IZZBFERCSA-N 2 0 374.573 3.439 20 0 FGADRP CC(C)C[C@H](CNC(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1)[NH2+][C@H](C)c1ccccc1 ZINC000417880675 500190997 /nfs/dbraw/zinc/19/09/97/500190997.db2.gz STPXQCHNMLNEPX-GFOJFJKKSA-N 2 0 372.557 3.003 20 0 FGADRP CN(c1ccccc1C[N@@H+]1CCOC[C@H](C2CCC2)C1)C1CC[NH+](C)CC1 ZINC000430117682 500195487 /nfs/dbraw/zinc/19/54/87/500195487.db2.gz ZKKPCEVATSCENZ-OAQYLSRUSA-N 2 0 371.569 3.466 20 0 FGADRP CC[NH+](CC)CCOc1ccc(C(=O)NC2CCC([NH+](C)C)CC2)cc1 ZINC000422005925 500196302 /nfs/dbraw/zinc/19/63/02/500196302.db2.gz KKVJJEMHTHLKPY-UHFFFAOYSA-N 2 0 361.530 3.010 20 0 FGADRP CCc1sc(C(=O)N2CCCN(C3CC[NH+](CC)CC3)CC2)cc1C ZINC000422013186 500198037 /nfs/dbraw/zinc/19/80/37/500198037.db2.gz WXBAGTYXHZOURB-UHFFFAOYSA-N 2 0 363.571 3.251 20 0 FGADRP CCC1(CNC(=O)N(C)CC(C)(C)C[NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000417924854 500198932 /nfs/dbraw/zinc/19/89/32/500198932.db2.gz MQALTMXHYSUBAT-UHFFFAOYSA-N 2 0 374.573 3.305 20 0 FGADRP C[NH+]1CCN(c2ccc(C(F)(F)F)cc2C[NH2+][C@@H]2COC(C)(C)C2)CC1 ZINC000417924826 500199064 /nfs/dbraw/zinc/19/90/64/500199064.db2.gz JDKSMJOGIFTZCH-INIZCTEOSA-N 2 0 371.447 3.114 20 0 FGADRP C[C@H]([NH3+])c1ccc(CNC(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000418105975 500230695 /nfs/dbraw/zinc/23/06/95/500230695.db2.gz MHMLHOULZMCWSR-PXNSSMCTSA-N 2 0 366.509 3.028 20 0 FGADRP C[C@H](NC(=O)C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1)c1ccc2c(c1)CCCC2 ZINC000579474346 506183564 /nfs/dbraw/zinc/18/35/64/506183564.db2.gz UCSAKPISOYEECP-HTAPYJJXSA-N 2 0 369.553 3.064 20 0 FGADRP CCc1ccc([C@H](CNC(=O)N2CCC(C[NH3+])CC2)[NH+](CC)CC)cc1 ZINC000418212249 500250308 /nfs/dbraw/zinc/25/03/08/500250308.db2.gz JIYCGPZQJHPICY-FQEVSTJZSA-N 2 0 360.546 3.012 20 0 FGADRP CC[NH2+]CC1CC[NH+](CC(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)CC1 ZINC000430593422 500259953 /nfs/dbraw/zinc/25/99/53/500259953.db2.gz SMWKASIQZABXML-KRWDZBQOSA-N 2 0 357.542 3.064 20 0 FGADRP CC(C)c1ccc([C@@H]([NH3+])CNC(=O)N2CCC(CC[NH+](C)C)CC2)cc1 ZINC000418351509 500267276 /nfs/dbraw/zinc/26/72/76/500267276.db2.gz LZHNXCRUARFVHW-FQEVSTJZSA-N 2 0 360.546 3.183 20 0 FGADRP CC(C)c1ccc([C@@H]([NH3+])CNC(=O)N(CCC[NH3+])Cc2ccccc2)cc1 ZINC000418355621 500267588 /nfs/dbraw/zinc/26/75/88/500267588.db2.gz PNAUXFVSSUPUQD-NRFANRHFSA-N 2 0 368.525 3.370 20 0 FGADRP CC(C)c1ccc([C@H]([NH3+])CNC(=O)N2CCC[C@H]([NH+]3CCCC3)C2)cc1 ZINC000418362038 500268147 /nfs/dbraw/zinc/26/81/47/500268147.db2.gz UVSHNKXEAPKYBX-VQTJNVASSA-N 2 0 358.530 3.080 20 0 FGADRP CCN(C(=O)N[C@H](C[NH3+])CC(C)C)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000418425233 500274804 /nfs/dbraw/zinc/27/48/04/500274804.db2.gz JEWQVWHNYQHHAO-YZGWKJHDSA-N 2 0 360.546 3.227 20 0 FGADRP COc1ccccc1-n1nccc1C[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000430722618 500275413 /nfs/dbraw/zinc/27/54/13/500275413.db2.gz FJUSJPAFBHNLPN-UHFFFAOYSA-N 2 0 356.514 3.435 20 0 FGADRP CCCN(CCC[NH+](C)C)C(=O)N[C@H](C[NH3+])c1ccc2ccccc2c1 ZINC000418481480 500281958 /nfs/dbraw/zinc/28/19/58/500281958.db2.gz CTPQVGTWYFIKQJ-HXUWFJFHSA-N 2 0 356.514 3.213 20 0 FGADRP CC[N@H+](CCC1CCN(C(=O)NCC2(C)CC[NH2+]CC2)CC1)CC(C)C ZINC000418518561 500286658 /nfs/dbraw/zinc/28/66/58/500286658.db2.gz MZANISZGYBHBMS-UHFFFAOYSA-N 2 0 366.594 3.166 20 0 FGADRP c1ccc2[nH]c(CCC[NH2+][C@@H]3C[C@@]4(CC[NH2+]C4)Oc4ccccc43)nc2c1 ZINC000422699022 500287022 /nfs/dbraw/zinc/28/70/22/500287022.db2.gz CFHSYJFHMVEEKM-DENIHFKCSA-N 2 0 362.477 3.341 20 0 FGADRP Cc1ccc([C@H](C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)N2CCOCC2)cc1 ZINC000422716291 500289131 /nfs/dbraw/zinc/28/91/31/500289131.db2.gz UEKFHOQSOOCYDJ-GPJHCHHRSA-N 2 0 371.569 3.269 20 0 FGADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000422719272 500289476 /nfs/dbraw/zinc/28/94/76/500289476.db2.gz YFWXEYVNZCPNOF-QRTARXTBSA-N 2 0 352.320 3.135 20 0 FGADRP C[NH+](C)CCCOc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)cc1 ZINC000422720936 500289912 /nfs/dbraw/zinc/28/99/12/500289912.db2.gz UFZCABQTIHDNFG-YPAWHYETSA-N 3 0 359.558 3.418 20 0 FGADRP C[C@@H]1C[C@@H](N(C)C(=O)NC[C@]2(C)CCC[NH2+]C2)CC[N@@H+]1Cc1ccccc1 ZINC000418550148 500290551 /nfs/dbraw/zinc/29/05/51/500290551.db2.gz TUSBAQNTXQMWRW-KAGYGMCKSA-N 2 0 372.557 3.071 20 0 FGADRP CN(C)[C@H](C[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1cccc(F)c1 ZINC000422730333 500291558 /nfs/dbraw/zinc/29/15/58/500291558.db2.gz MBWSTQBLJYRBNS-VWPQPMDRSA-N 2 0 369.484 3.274 20 0 FGADRP c1csc([C@H](C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)N2CCOCC2)c1 ZINC000422741892 500293013 /nfs/dbraw/zinc/29/30/13/500293013.db2.gz FLHLEBVMXOTFGN-OKYOBFRVSA-N 2 0 363.571 3.022 20 0 FGADRP COc1ccc([C@H](NC[C@@H](c2ccccc2)[NH+](C)C)[C@H]2CCC[NH2+]2)cc1 ZINC000422755707 500294712 /nfs/dbraw/zinc/29/47/12/500294712.db2.gz KXOFWDBPCYYJSZ-FSSWDIPSSA-N 2 0 353.510 3.381 20 0 FGADRP CCOC(=O)C1([C@H](C)[NH2+][C@H]2CCC[C@@H]2Cc2ccccc2)CC[NH2+]CC1 ZINC000422765887 500295458 /nfs/dbraw/zinc/29/54/58/500295458.db2.gz PPRFVFLAMMPYIA-SXLOBPIMSA-N 2 0 358.526 3.309 20 0 FGADRP COc1ccc([C@H](N[C@H]2CC[N@H+](Cc3ccccc3)C2)[C@H]2CCC[NH2+]2)cc1 ZINC000422768530 500296021 /nfs/dbraw/zinc/29/60/21/500296021.db2.gz TXEGWROBHRZMMK-WWNPGLIZSA-N 2 0 365.521 3.352 20 0 FGADRP Cc1ccc([C@H]([NH2+][C@H](C)CCC[NH3+])c2cccc(S(C)(=O)=O)c2)cc1 ZINC000422797974 500299017 /nfs/dbraw/zinc/29/90/17/500299017.db2.gz PGQKTYCZTCCCSD-UZLBHIALSA-N 2 0 360.523 3.205 20 0 FGADRP CCOC(=O)C1([C@H](C)[NH2+][C@H](C)c2ccccc2OC(F)F)CC[NH2+]CC1 ZINC000422802936 500300027 /nfs/dbraw/zinc/30/00/27/500300027.db2.gz IAHAQGVIRUYOTN-KGLIPLIRSA-N 2 0 370.440 3.260 20 0 FGADRP Cc1cccc(Oc2cc(C[NH2+][C@@H]3CCOC[C@@H]3[C@H](C)[NH3+])ccn2)c1C ZINC000422813912 500301257 /nfs/dbraw/zinc/30/12/57/500301257.db2.gz YZUAXSLOWYVLPQ-QXAKKESOSA-N 2 0 355.482 3.333 20 0 FGADRP c1ccc(N2CCN(CCC[NH2+][C@@H]3CCC[C@@H]3[C@H]3CCCC[NH2+]3)CC2)cc1 ZINC000422814787 500301486 /nfs/dbraw/zinc/30/14/86/500301486.db2.gz WDOPUYQWVVHELW-DNVJHFABSA-N 2 0 370.585 3.099 20 0 FGADRP CCc1ccccc1[C@H]([NH3+])CNC(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000418655613 500301744 /nfs/dbraw/zinc/30/17/44/500301744.db2.gz RCJPNSYNKBLUPK-HXUWFJFHSA-N 2 0 360.546 3.012 20 0 FGADRP CN(CC[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)Cc1ccc(F)cc1 ZINC000422820795 500301889 /nfs/dbraw/zinc/30/18/89/500301889.db2.gz SGCMLGKSARARIX-IFMALSPDSA-N 2 0 369.484 3.103 20 0 FGADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000422837103 500304489 /nfs/dbraw/zinc/30/44/89/500304489.db2.gz LJKZHGXWWKAICH-ZJBJCVSYSA-N 2 0 352.526 3.410 20 0 FGADRP CCOC(=O)C1([C@H](C)[NH2+]C[C@H]2CCC[C@@H](C(F)(F)F)C2)CC[NH2+]CC1 ZINC000422853027 500306283 /nfs/dbraw/zinc/30/62/83/500306283.db2.gz RSBLYRMOODBWNY-SOUVJXGZSA-N 2 0 364.452 3.266 20 0 FGADRP [NH3+]CCC[C@@H](NC(=O)N1CCC[C@H]1C[NH+]1CCCCC1)c1ccccc1 ZINC000418678282 500306533 /nfs/dbraw/zinc/30/65/33/500306533.db2.gz SLGGANNHISTCRI-VQTJNVASSA-N 2 0 358.530 3.127 20 0 FGADRP C[NH2+]CC1CC[NH+]([C@@H](C)C(=O)N[C@H](C)c2ccc3ccccc3c2)CC1 ZINC000430929331 500308247 /nfs/dbraw/zinc/30/82/47/500308247.db2.gz VXXCIBUUMVXLPA-SJORKVTESA-N 2 0 353.510 3.337 20 0 FGADRP C[C@H](C[C@H](C)[NH3+])[NH2+][C@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000422873222 500308431 /nfs/dbraw/zinc/30/84/31/500308431.db2.gz KOKCPEZXXPOYMY-UMNHJUIQSA-N 2 0 350.816 3.048 20 0 FGADRP COc1ccc(C[NH2+][C@@H](C)c2ccc(C[NH3+])nc2C)cc1Br ZINC000422876278 500308829 /nfs/dbraw/zinc/30/88/29/500308829.db2.gz FKXHHKNFLYBDFI-NSHDSACASA-N 2 0 364.287 3.471 20 0 FGADRP COc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1Br ZINC000422874479 500308872 /nfs/dbraw/zinc/30/88/72/500308872.db2.gz ACRAARHTGDVQRV-VNQPRFMTSA-N 2 0 353.304 3.468 20 0 FGADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C1CCC(C(=O)N2CCSCC2)CC1 ZINC000422885597 500310812 /nfs/dbraw/zinc/31/08/12/500310812.db2.gz YXEJLSVHBOQSQJ-UGXKVIGPSA-N 2 0 367.603 3.021 20 0 FGADRP COCCOc1cccc(C[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000422901860 500314095 /nfs/dbraw/zinc/31/40/95/500314095.db2.gz SMHAZNREUXYOJL-RBBKRZOGSA-N 2 0 368.477 3.057 20 0 FGADRP c1cc(OCC[NH+]2CCCC2)ccc1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000422907656 500314615 /nfs/dbraw/zinc/31/46/15/500314615.db2.gz BWRHTOUQACFDGY-BHIFYINESA-N 3 0 357.542 3.172 20 0 FGADRP C[C@@H]([NH3+])[C@H](Cc1ccccc1)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000422909979 500315455 /nfs/dbraw/zinc/31/54/55/500315455.db2.gz HCDWNEMSSHTUQA-XXBNENTESA-N 2 0 367.537 3.209 20 0 FGADRP c1sc(CC[NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)nc1C1CCCCC1 ZINC000422913807 500316465 /nfs/dbraw/zinc/31/64/65/500316465.db2.gz QTKYNOKHFFLKSP-RCCFBDPRSA-N 2 0 363.571 3.480 20 0 FGADRP CCc1nc(CN2CCC(C[NH2+][C@H]3CCCC[C@@H]3C[NH3+])CC2)cs1 ZINC000422916089 500316545 /nfs/dbraw/zinc/31/65/45/500316545.db2.gz ZXVHSWMTJRILSK-AEFFLSMTSA-N 2 0 350.576 3.025 20 0 FGADRP CCc1nc(CN2CCC(C[NH2+][C@@H]3CCCC[C@H]3C[NH3+])CC2)cs1 ZINC000422916090 500316557 /nfs/dbraw/zinc/31/65/57/500316557.db2.gz ZXVHSWMTJRILSK-FUHWJXTLSA-N 2 0 350.576 3.025 20 0 FGADRP COc1cccc(OCCC[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000422923361 500317472 /nfs/dbraw/zinc/31/74/72/500317472.db2.gz RUKIQQIFMQVXSU-IRLDBZIGSA-N 2 0 368.477 3.310 20 0 FGADRP CCOc1ccc([C@H](C)NC(=O)CCC[NH2+][C@@H]2CCCCC[C@H]2[NH3+])cc1 ZINC000422927802 500318343 /nfs/dbraw/zinc/31/83/43/500318343.db2.gz HEIMRXVEOPCEBF-PWIZWCRZSA-N 2 0 361.530 3.292 20 0 FGADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000422946114 500322024 /nfs/dbraw/zinc/32/20/24/500322024.db2.gz OMIJANDBEBVIMM-SZNDQCEHSA-N 2 0 353.466 3.422 20 0 FGADRP O=C(C[NH+]1CCC2(CC[NH2+]C2)CC1)N[C@@H](c1cccs1)c1ccccc1 ZINC000431014811 500323129 /nfs/dbraw/zinc/32/31/29/500323129.db2.gz PPNOGKDCMBZHDH-HXUWFJFHSA-N 2 0 369.534 3.029 20 0 FGADRP C[NH+](C)C1CCN(c2ccc(N[C@@H]3C[C@@H]([NH3+])c4ccccc43)nc2)CC1 ZINC000422955318 500323417 /nfs/dbraw/zinc/32/34/17/500323417.db2.gz LSUSKNZDCOZZBT-WOJBJXKFSA-N 2 0 351.498 3.169 20 0 FGADRP O=C(CCC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)N1Cc2ccccc2C1 ZINC000422956775 500323945 /nfs/dbraw/zinc/32/39/45/500323945.db2.gz LXMHHQSWXBJAOD-NJDAHSKKSA-N 2 0 355.526 3.209 20 0 FGADRP COCCNc1ccc(C[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422963308 500324506 /nfs/dbraw/zinc/32/45/06/500324506.db2.gz FMRZAPOZNZMOEE-UNMCSNQZSA-N 2 0 367.493 3.090 20 0 FGADRP c1coc([C@H](C[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)N2CCCC2)c1 ZINC000422964435 500324593 /nfs/dbraw/zinc/32/45/93/500324593.db2.gz LOSCHQDZEODHSS-CNNODRBYSA-N 2 0 367.493 3.262 20 0 FGADRP CCOC(=O)C1([C@@H](C)[NH2+][C@@H](c2ccco2)c2ccccc2)CC[NH2+]CC1 ZINC000422965931 500324842 /nfs/dbraw/zinc/32/48/42/500324842.db2.gz QFVBCVVNLMYBRO-VQIMIIECSA-N 2 0 356.466 3.280 20 0 FGADRP Cn1cc(-c2cccc(C[NH2+][C@@H]3C[C@]4(CC[NH2+]C4)Oc4ccccc43)c2)cn1 ZINC000422961455 500324872 /nfs/dbraw/zinc/32/48/72/500324872.db2.gz CBCYDHGIRKYCEX-GGAORHGYSA-N 2 0 374.488 3.433 20 0 FGADRP CCOC(=O)C1([C@@H](C)[NH2+]Cc2cccc(-c3ccccn3)c2)CC[NH2+]CC1 ZINC000422995320 500328501 /nfs/dbraw/zinc/32/85/01/500328501.db2.gz JTYCIOKJFFWWGY-QGZVFWFLSA-N 2 0 367.493 3.160 20 0 FGADRP C[NH+](C)CCN(C(=O)c1ccc2c(ccn2CCC[NH3+])c1)c1ccccc1 ZINC000431049700 500328730 /nfs/dbraw/zinc/32/87/30/500328730.db2.gz POMPUJCVFQWPOG-UHFFFAOYSA-N 2 0 364.493 3.199 20 0 FGADRP [NH3+][C@H](Cc1ccccc1)C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000431061982 500329974 /nfs/dbraw/zinc/32/99/74/500329974.db2.gz YVCXCYQPQCPREN-OAQYLSRUSA-N 2 0 351.494 3.224 20 0 FGADRP C[C@H](C(=O)N[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1)[C@@H]([NH3+])c1ccccc1 ZINC000431060888 500330117 /nfs/dbraw/zinc/33/01/17/500330117.db2.gz HEZPZEHFQJITEI-ZCLUNYJNSA-N 2 0 351.494 3.274 20 0 FGADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]CCc1csc(-c2ccc(Cl)cc2)n1 ZINC000423017865 500331865 /nfs/dbraw/zinc/33/18/65/500331865.db2.gz XGHRLUXELGQEAW-AFAVFJNCSA-N 2 0 365.930 3.348 20 0 FGADRP FC(F)(F)c1cccc(OCC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)n1 ZINC000423017845 500331919 /nfs/dbraw/zinc/33/19/19/500331919.db2.gz XFVALJRAVNZUJC-SOUVJXGZSA-N 2 0 357.420 3.380 20 0 FGADRP CCOC(=O)C1([C@@H](C)[NH2+]CC2(c3ccccc3OC)CCC2)CC[NH2+]CC1 ZINC000423034510 500333223 /nfs/dbraw/zinc/33/32/23/500333223.db2.gz HXBHZFJOIKMLER-QGZVFWFLSA-N 2 0 374.525 3.028 20 0 FGADRP Fc1ccc(-c2noc(CCC[NH2+][C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)n2)cc1 ZINC000423031200 500333334 /nfs/dbraw/zinc/33/33/34/500333334.db2.gz KSQMDFRGWYCCBK-KURKYZTESA-N 2 0 358.461 3.319 20 0 FGADRP C[C@@H](CCCC[NH3+])[NH2+][C@@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O ZINC000423037403 500333529 /nfs/dbraw/zinc/33/35/29/500333529.db2.gz BMORLMHTDRKAOM-WMLDXEAASA-N 2 0 371.447 3.304 20 0 FGADRP C[C@@H]1C[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2C2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000426889247 500333541 /nfs/dbraw/zinc/33/35/41/500333541.db2.gz LWKCIJHLLBQGDU-JRGCBEDISA-N 2 0 355.526 3.125 20 0 FGADRP Cc1cc(Br)cn2cc(CC[NH2+][C@H]3CCCCC[C@H]3[NH3+])nc12 ZINC000423036460 500333684 /nfs/dbraw/zinc/33/36/84/500333684.db2.gz LDDUMHZQKVKESC-CVEARBPZSA-N 2 0 365.319 3.197 20 0 FGADRP COC[C@H](CCC[NH3+])[NH2+][C@H]1CCN(C(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000423048482 500334771 /nfs/dbraw/zinc/33/47/71/500334771.db2.gz WMEPIHJZAFXZBB-SNRMKQJTSA-N 2 0 371.928 3.346 20 0 FGADRP COC[C@H](CCC[NH3+])[NH2+][C@@H]1CCN(C(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000423048480 500334914 /nfs/dbraw/zinc/33/49/14/500334914.db2.gz WMEPIHJZAFXZBB-IPELMVKDSA-N 2 0 371.928 3.346 20 0 FGADRP FC(F)(F)c1ccc(C2(C[NH2+][C@@H]3CCOC[C@@H]3[C@@H]3CCC[NH2+]3)CC2)cc1 ZINC000423063373 500337601 /nfs/dbraw/zinc/33/76/01/500337601.db2.gz WGAYSOSXCRAHEA-FGTMMUONSA-N 2 0 368.443 3.484 20 0 FGADRP CCN(CC[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)CCC(F)(F)F ZINC000423069932 500338081 /nfs/dbraw/zinc/33/80/81/500338081.db2.gz FKZWFSBDHYRBTQ-WMZOPIPTSA-N 2 0 371.447 3.106 20 0 FGADRP [NH3+]CC1CCC([NH2+]Cc2cnn(-c3ccc(Br)cc3)c2)CC1 ZINC000423086910 500340681 /nfs/dbraw/zinc/34/06/81/500340681.db2.gz MXNNLPOIVVZXTQ-UHFFFAOYSA-N 2 0 363.303 3.242 20 0 FGADRP FC1(c2cccc(Cl)c2)CC([NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)C1 ZINC000423096429 500341733 /nfs/dbraw/zinc/34/17/33/500341733.db2.gz OUPXDQXFZCQLSV-OLOUCDKRSA-N 2 0 352.881 3.414 20 0 FGADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]C[C@@H](OCC1CC1)c1ccc(Cl)cc1 ZINC000423099529 500341891 /nfs/dbraw/zinc/34/18/91/500341891.db2.gz FJKZHMAKFYXQET-NOENWEJRSA-N 2 0 352.906 3.150 20 0 FGADRP COC[C@H](CCC[NH3+])[NH2+][C@H]1c2cccc(Br)c2CC1(C)C ZINC000423123463 500345330 /nfs/dbraw/zinc/34/53/30/500345330.db2.gz DTHLSOLJPFXMSY-LRDDRELGSA-N 2 0 355.320 3.416 20 0 FGADRP CCc1ccc([C@H](CN[C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)[NH+](CC)CC)cc1 ZINC000423137839 500347480 /nfs/dbraw/zinc/34/74/80/500347480.db2.gz XAUUPLFYDJQHSZ-ACESQOTJSA-N 2 0 373.585 3.379 20 0 FGADRP CC[C@H]([NH2+]CCN1CC[NH2+]CC1)c1ccc(Br)cc1Cl ZINC000423204684 500355012 /nfs/dbraw/zinc/35/50/12/500355012.db2.gz ONIUUAXWIFVSBW-HNNXBMFYSA-N 2 0 360.727 3.048 20 0 FGADRP CCc1ccc([C@H](CNC(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)[NH+](CC)CC)cc1 ZINC000431281412 500358377 /nfs/dbraw/zinc/35/83/77/500358377.db2.gz FNMQVXGKHMAONW-QMMLZNLJSA-N 2 0 374.573 3.414 20 0 FGADRP C[NH2+]C[C@@H](C)C[NH2+][C@H](c1cccc(Br)c1)C1CCOCC1 ZINC000423255444 500358560 /nfs/dbraw/zinc/35/85/60/500358560.db2.gz ABCJUBSPGAVDJS-DYVFJYSZSA-N 2 0 355.320 3.362 20 0 FGADRP CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+]Cc2ccc([C@@H](C)[NH3+])cc2)cc1 ZINC000423294763 500362711 /nfs/dbraw/zinc/36/27/11/500362711.db2.gz VFYZZUYKVIWJBB-HUUCEWRRSA-N 2 0 361.511 3.319 20 0 FGADRP C[NH+](C)CCOc1ccc(NC(=O)C(C)(C)[C@@H]([NH3+])c2ccccc2)cc1 ZINC000423314756 500363434 /nfs/dbraw/zinc/36/34/34/500363434.db2.gz HQUQHNNINPCIRQ-IBGZPJMESA-N 2 0 355.482 3.292 20 0 FGADRP C[C@@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)c1ccc(I)cc1 ZINC000423322082 500364022 /nfs/dbraw/zinc/36/40/22/500364022.db2.gz GWSMIKDNJWRZCT-IUODEOHRSA-N 2 0 358.267 3.332 20 0 FGADRP C[NH+](C)[C@@H](CNC(=O)C(C)(C)[C@H]([NH3+])c1ccccc1)c1ccc(F)cc1 ZINC000423345854 500365972 /nfs/dbraw/zinc/36/59/72/500365972.db2.gz ZFTVDVQORXKXEF-RBUKOAKNSA-N 2 0 357.473 3.271 20 0 FGADRP C[NH+](C)[C@H](CNC(=O)C(C)(C)[C@H]([NH3+])c1ccccc1)c1ccc(F)cc1 ZINC000423345855 500366155 /nfs/dbraw/zinc/36/61/55/500366155.db2.gz ZFTVDVQORXKXEF-RTBURBONSA-N 2 0 357.473 3.271 20 0 FGADRP C[NH2+]CCc1ccccc1C(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000423374733 500368143 /nfs/dbraw/zinc/36/81/43/500368143.db2.gz IHGVXEFZTYHTRN-KRWDZBQOSA-N 2 0 353.510 3.308 20 0 FGADRP COCC1(C[NH2+][C@H](C)c2ccc(F)c(Br)c2)CC[NH2+]CC1 ZINC000423392945 500369783 /nfs/dbraw/zinc/36/97/83/500369783.db2.gz OURDZFDBMJGHFY-GFCCVEGCSA-N 2 0 359.283 3.255 20 0 FGADRP C[C@H]([NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1cc2ccccc2s1 ZINC000423394846 500370193 /nfs/dbraw/zinc/37/01/93/500370193.db2.gz SEOLIHNTZULZFY-BLLLJJGKSA-N 2 0 357.445 3.388 20 0 FGADRP C[C@@H](CNC(=O)C(C)(C)[C@H]([NH3+])c1ccccc1)[N@H+](C)Cc1ccccc1 ZINC000423400514 500370471 /nfs/dbraw/zinc/37/04/71/500370471.db2.gz FOSCDYSKVFWAHJ-FXAWDEMLSA-N 2 0 353.510 3.349 20 0 FGADRP C[C@@H](CNC(=O)C(C)(C)[C@@H]([NH3+])c1ccccc1)[N@H+](C)Cc1ccccc1 ZINC000423400516 500370533 /nfs/dbraw/zinc/37/05/33/500370533.db2.gz FOSCDYSKVFWAHJ-PXNSSMCTSA-N 2 0 353.510 3.349 20 0 FGADRP Cc1c2ccccc2oc1[C@H](C)[NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000423404604 500370967 /nfs/dbraw/zinc/37/09/67/500370967.db2.gz ZWOONUQJBHZSEG-XJKSGUPXSA-N 2 0 355.404 3.228 20 0 FGADRP C[C@H](CCCC[NH3+])[NH2+][C@H]1CCCC[C@H](N2C(=O)c3ccccc3C2=O)C1 ZINC000423422115 500373856 /nfs/dbraw/zinc/37/38/56/500373856.db2.gz CUGJPEGIWBRUAV-IKGGRYGDSA-N 2 0 357.498 3.091 20 0 FGADRP CC1CC[NH+]([C@H](CNC(=O)C[C@@H]2CCC[NH2+]CC2)c2ccccc2)CC1 ZINC000427320374 500381198 /nfs/dbraw/zinc/38/11/98/500381198.db2.gz LEIRTLJOPKRKCF-TZIWHRDSSA-N 2 0 357.542 3.356 20 0 FGADRP NC1(C[NH2+][C@@H]2CCCc3ccc(O)cc32)CC[NH+](Cc2ccccc2)CC1 ZINC000423548183 500384189 /nfs/dbraw/zinc/38/41/89/500384189.db2.gz DTDLYYVSHSSQSK-JOCHJYFZSA-N 2 0 365.521 3.353 20 0 FGADRP C[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)c1ccc(I)cc1 ZINC000423553186 500384282 /nfs/dbraw/zinc/38/42/82/500384282.db2.gz VWDHQXIVOQBLPW-ATVPRXPUSA-N 2 0 370.278 3.330 20 0 FGADRP Cc1ccc(CC[NH2+]Cc2c(Cl)cccc2N2CC[NH+](C)CC2)nc1 ZINC000419720131 500391615 /nfs/dbraw/zinc/39/16/15/500391615.db2.gz FBGQCRNQUJUMFX-UHFFFAOYSA-N 2 0 358.917 3.128 20 0 FGADRP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)NCCCC[NH+]1CCCC[C@@H]1C ZINC000579517036 506193366 /nfs/dbraw/zinc/19/33/66/506193366.db2.gz NXRBMGKBCRFZSI-UXHICEINSA-N 2 0 374.573 3.461 20 0 FGADRP CC(C)CC[NH+]1CCC(CNC(=O)NCCC[NH2+]C2CCCCC2)CC1 ZINC000431649771 500403246 /nfs/dbraw/zinc/40/32/46/500403246.db2.gz XSYVLGZHHBPGNI-UHFFFAOYSA-N 2 0 366.594 3.356 20 0 FGADRP CC[C@@H]1CN(C(=O)C[C@@H]([NH3+])c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000423826031 500406369 /nfs/dbraw/zinc/40/63/69/500406369.db2.gz OBIUGWOBPQVWRP-NHCUHLMSSA-N 2 0 351.494 3.200 20 0 FGADRP CC[C@H]1CN(C(=O)c2ccccc2CC[NH2+]C)CC[N@@H+]1Cc1ccccc1 ZINC000423832474 500408139 /nfs/dbraw/zinc/40/81/39/500408139.db2.gz XWMQIHNWFGJRGT-NRFANRHFSA-N 2 0 365.521 3.185 20 0 FGADRP O=C(CC[C@@H]1CCC[NH2+]1)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000423898316 500417509 /nfs/dbraw/zinc/41/75/09/500417509.db2.gz IEJUKOSECBRXFA-HKBOAZHASA-N 2 0 355.526 3.032 20 0 FGADRP C[C@@H]1C[C@H](CCNC(=O)CCC2CC[NH2+]CC2)C[N@@H+]1Cc1ccccc1 ZINC000423906556 500417820 /nfs/dbraw/zinc/41/78/20/500417820.db2.gz QLRJVGIIESFRLC-NQIIRXRSSA-N 2 0 357.542 3.183 20 0 FGADRP Cc1ccc([C@@H](CNC(=O)C[C@H](c2ccccc2)[NH+](C)C)[NH+](C)C)cc1 ZINC000431770859 500422553 /nfs/dbraw/zinc/42/25/53/500422553.db2.gz GXFJXWLWIBTQID-NHCUHLMSSA-N 2 0 353.510 3.407 20 0 FGADRP CC[C@H](C(=O)N[C@H](CCC[NH3+])c1ccccc1)[N@H+](C)Cc1ccccc1 ZINC000423961101 500424856 /nfs/dbraw/zinc/42/48/56/500424856.db2.gz DLECGYWTCIKQQP-NHCUHLMSSA-N 2 0 353.510 3.493 20 0 FGADRP C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)CC[C@@H]1CCCC[NH+]1C ZINC000431796900 500425948 /nfs/dbraw/zinc/42/59/48/500425948.db2.gz VPCPAMDMUSYFLB-FPOVZHCZSA-N 2 0 357.542 3.374 20 0 FGADRP O=C([C@H]1CCC[N@H+](Cc2ccccc2)C1)N1CC[NH2+]C[C@H]1c1ccccc1 ZINC000423992370 500431414 /nfs/dbraw/zinc/43/14/14/500431414.db2.gz GCSMMQRTNUEVDN-VXKWHMMOSA-N 2 0 363.505 3.072 20 0 FGADRP C[NH2+]CC1CC[NH+]([C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)CC1 ZINC000420284005 500433654 /nfs/dbraw/zinc/43/36/54/500433654.db2.gz CGTDSXSJOFSIID-INIZCTEOSA-N 2 0 356.297 3.030 20 0 FGADRP COc1ccc([C@@H](C[NH3+])C[N@H+](CCCO)[C@H]2CCCc3ccccc32)cc1 ZINC000420293766 500434764 /nfs/dbraw/zinc/43/47/64/500434764.db2.gz AJXWBSNSGAWYCJ-REWPJTCUSA-N 2 0 368.521 3.500 20 0 FGADRP COc1ccc([C@@H](C[NH3+])C[N@H+](CCCO)[C@@H]2CCCc3ccccc32)cc1 ZINC000420293762 500434782 /nfs/dbraw/zinc/43/47/82/500434782.db2.gz AJXWBSNSGAWYCJ-NZQKXSOJSA-N 2 0 368.521 3.500 20 0 FGADRP COc1ccc([C@H](C[NH3+])C[N@H+](Cc2ccccc2)[C@H](CO)C(C)C)cc1 ZINC000420297907 500436619 /nfs/dbraw/zinc/43/66/19/500436619.db2.gz GNZGOYJDCKGPST-IFMALSPDSA-N 2 0 356.510 3.257 20 0 FGADRP COc1ccc([C@@H](C[NH3+])C[N@H+](Cc2ccccc2)[C@H](CO)C(C)C)cc1 ZINC000420297911 500436643 /nfs/dbraw/zinc/43/66/43/500436643.db2.gz GNZGOYJDCKGPST-RBBKRZOGSA-N 2 0 356.510 3.257 20 0 FGADRP COc1ccc([C@H](C[NH3+])C[N@H+](CCCO)[C@@H]2CCc3ccccc32)cc1 ZINC000420303060 500437262 /nfs/dbraw/zinc/43/72/62/500437262.db2.gz NAJMPDCQGOHLHQ-DENIHFKCSA-N 2 0 354.494 3.109 20 0 FGADRP CCOC(=O)c1nc(-c2ccccc2)oc1C[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000420305632 500438620 /nfs/dbraw/zinc/43/86/20/500438620.db2.gz GTZWDHLYLTZEMR-OAHLLOKOSA-N 2 0 357.454 3.079 20 0 FGADRP CC[N@H+](CC[C@@H]1CCC[NH2+]C1)CC(=O)Nc1ccccc1C(F)(F)F ZINC000420323360 500441550 /nfs/dbraw/zinc/44/15/50/500441550.db2.gz SZHLYUWJWNRODJ-AWEZNQCLSA-N 2 0 357.420 3.356 20 0 FGADRP CC(C)(C)c1cccc(OCCC[N@@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)c1 ZINC000420329812 500442626 /nfs/dbraw/zinc/44/26/26/500442626.db2.gz PAFABPPJWQFSQE-LJQANCHMSA-N 2 0 360.542 3.440 20 0 FGADRP C[C@H](NC(=O)C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1)c1ccc2c(c1)CCCC2 ZINC000420337846 500444149 /nfs/dbraw/zinc/44/41/49/500444149.db2.gz KFGZQHHSGGEYET-HTAPYJJXSA-N 2 0 369.553 3.207 20 0 FGADRP Cc1sc2[nH]c([C@H](C)[N@@H+]3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)nc(=O)c2c1C ZINC000420340624 500444910 /nfs/dbraw/zinc/44/49/10/500444910.db2.gz MXHYUCZGEBIBKA-NWANDNLSSA-N 2 0 360.527 3.396 20 0 FGADRP COc1ccc([C@H](C[NH3+])C[N@@H+]2CCc3ccc(C(C)=O)cc3CC2)cc1 ZINC000420369395 500449275 /nfs/dbraw/zinc/44/92/75/500449275.db2.gz IVLUZHQZRYNWTD-OAQYLSRUSA-N 2 0 352.478 3.041 20 0 FGADRP CSc1ccc(OCC[NH+]2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)cc1 ZINC000420377472 500450984 /nfs/dbraw/zinc/45/09/84/500450984.db2.gz LCDMIRJCFYMSEI-MOPGFXCFSA-N 2 0 350.528 3.006 20 0 FGADRP C[C@@H]1CCN(CC(=O)Nc2ccccc2Oc2ccccc2)C[C@@H]1C[NH3+] ZINC000420378579 500451048 /nfs/dbraw/zinc/45/10/48/500451048.db2.gz MEYXKGNZKASXEF-SJORKVTESA-N 2 0 353.466 3.334 20 0 FGADRP CCCOc1ccc(OCC[NH+]2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)cc1 ZINC000420394121 500454529 /nfs/dbraw/zinc/45/45/29/500454529.db2.gz RDYZPYGFDQDWQO-GHTZIAJQSA-N 2 0 362.514 3.073 20 0 FGADRP C[C@H]1CCC[N@H+](Cc2ccccc2C[NH2+][C@H]2CCN(C(C)(C)C)C2=O)C1 ZINC000424116560 500456436 /nfs/dbraw/zinc/45/64/36/500456436.db2.gz XMDCLCFYOFJSSM-PXNSSMCTSA-N 2 0 357.542 3.408 20 0 FGADRP Brc1ccc(OCC[N@@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cc1 ZINC000420407823 500456681 /nfs/dbraw/zinc/45/66/81/500456681.db2.gz VMXVCKRPBPGXBY-RHSMWYFYSA-N 2 0 353.304 3.292 20 0 FGADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NC[C@H]1CCCC[NH+](Cc2ccccc2)C1 ZINC000428065478 500464455 /nfs/dbraw/zinc/46/44/55/500464455.db2.gz FNHBHPWABVPQBU-SVFBPWRDSA-N 2 0 357.542 3.278 20 0 FGADRP CC[NH+]1CCN(CCC[NH2+][C@H](Cc2ccncc2)c2cccs2)CC1 ZINC000424274050 500479505 /nfs/dbraw/zinc/47/95/05/500479505.db2.gz YFADHCZASMGEEY-LJQANCHMSA-N 2 0 358.555 3.044 20 0 FGADRP CO[C@H]1C[C@H]2C[C@@H]([NH2+]CCCN3CC[N@H+](C)C[C@H]3c3ccccc3)C[C@H]2C1 ZINC000424275148 500479674 /nfs/dbraw/zinc/47/96/74/500479674.db2.gz ZVVCOZQLYAMTKX-BFRACDOUSA-N 2 0 371.569 3.158 20 0 FGADRP CCN(C(=O)C[N@@H+]1CC2(C[C@H]1C)CC[NH2+]CC2)[C@@H](C)c1ccc(F)cc1 ZINC000424296849 500483266 /nfs/dbraw/zinc/48/32/66/500483266.db2.gz SJBMSTRCAKDXRP-SJORKVTESA-N 2 0 361.505 3.199 20 0 FGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@@H](C)c2ccc(OC)cc2Cl)CC1 ZINC000424309166 500484434 /nfs/dbraw/zinc/48/44/34/500484434.db2.gz HZOHQHAWEUNZHY-HOTGVXAUSA-N 2 0 353.938 3.273 20 0 FGADRP C[N@@H+]1CCCN(CCC[NH2+][C@H](Cc2ccncc2)c2cccs2)CC1 ZINC000424323796 500486304 /nfs/dbraw/zinc/48/63/04/500486304.db2.gz WGESRSZZBNHWIU-LJQANCHMSA-N 2 0 358.555 3.044 20 0 FGADRP Cc1cc(C[NH3+])cc(NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)c1 ZINC000424427695 500503010 /nfs/dbraw/zinc/50/30/10/500503010.db2.gz QKHIZWHTQHSCJJ-OXQOHEQNSA-N 2 0 352.482 3.238 20 0 FGADRP C[C@H]1C[C@@H](NC(=O)NC2CCC([NH+](C)C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000420797163 500503374 /nfs/dbraw/zinc/50/33/74/500503374.db2.gz GQVDZBGHSZIZES-AFVILVPDSA-N 2 0 372.557 3.212 20 0 FGADRP [NH3+][C@@H]1CCCC[C@H]1NC(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000424455021 500508495 /nfs/dbraw/zinc/50/84/95/500508495.db2.gz QYDYRFOROGKKHK-KZNAEPCWSA-N 2 0 364.921 3.046 20 0 FGADRP CC(C)(C)[N@@H+]1CCc2nc(NC(=O)[C@@H]3CCCc4nccn43)sc2C1 ZINC000424518885 500513068 /nfs/dbraw/zinc/51/30/68/500513068.db2.gz MIJNVXNLFTYQER-ZDUSSCGKSA-N 2 0 359.499 3.012 20 0 FGADRP C[C@H]([NH2+]Cc1cccc(CN2CCOCC2)c1)[C@H]1COc2ccccc21 ZINC000420922925 500530945 /nfs/dbraw/zinc/53/09/45/500530945.db2.gz OUDWUUCNEGCULF-LAUBAEHRSA-N 2 0 352.478 3.173 20 0 FGADRP CC[NH+]1CCC(N2CCC[N@@H+]([C@H](CCOC)c3ccccc3)CC2)CC1 ZINC000420975960 500545316 /nfs/dbraw/zinc/54/53/16/500545316.db2.gz GKAQUNCTOXHQJX-JOCHJYFZSA-N 2 0 359.558 3.256 20 0 FGADRP COc1ccc(C[C@@H](C)C[NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)cc1F ZINC000433032796 500609791 /nfs/dbraw/zinc/60/97/91/500609791.db2.gz SDKMMNZVIUITRN-SJORKVTESA-N 2 0 352.494 3.103 20 0 FGADRP OCC1(C[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CC2(CCC2)C1 ZINC000433057154 500615539 /nfs/dbraw/zinc/61/55/39/500615539.db2.gz GEBXHJNSBSQFAS-PWRODBHTSA-N 2 0 354.538 3.429 20 0 FGADRP C[C@H](NC(=O)CCC[NH+]1CCC([NH3+])CC1)c1nc(-c2ccccc2)cs1 ZINC000433119197 500629874 /nfs/dbraw/zinc/62/98/74/500629874.db2.gz UHEQVYLLLFRKOF-HNNXBMFYSA-N 2 0 372.538 3.191 20 0 FGADRP C[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433120198 500630747 /nfs/dbraw/zinc/63/07/47/500630747.db2.gz YEJHSEVEXCINJG-ZDUSSCGKSA-N 2 0 372.340 3.244 20 0 FGADRP Cc1ccccc1-c1csc(NC(=O)CCC[NH+]2CCC([NH3+])CC2)n1 ZINC000433129327 500632408 /nfs/dbraw/zinc/63/24/08/500632408.db2.gz NQJBGXSLGSYCAN-UHFFFAOYSA-N 2 0 358.511 3.260 20 0 FGADRP c1ccc(C[NH+]2CCN(CC[NH2+][C@@H]3CCCNc4ccccc43)CC2)cc1 ZINC000573525853 506207525 /nfs/dbraw/zinc/20/75/25/506207525.db2.gz MNIPWTPKMJEHAN-HSZRJFAPSA-N 2 0 364.537 3.341 20 0 FGADRP C[C@@H](NC(=O)CCC[NH+]1CCC([NH3+])CC1)c1cccc(Cl)c1Cl ZINC000433145659 500634508 /nfs/dbraw/zinc/63/45/08/500634508.db2.gz IPEIDTIFUUJDHH-GFCCVEGCSA-N 2 0 358.313 3.374 20 0 FGADRP [NH3+]C1CC[NH+](CCCC(=O)N2CCC(CCc3ccccc3)CC2)CC1 ZINC000433142032 500634565 /nfs/dbraw/zinc/63/45/65/500634565.db2.gz RHANMPLNQCNDHA-UHFFFAOYSA-N 2 0 357.542 3.061 20 0 FGADRP [NH3+]C1CC[NH+](CCCC(=O)Nc2ccc(Cl)c(Br)c2)CC1 ZINC000433157034 500636251 /nfs/dbraw/zinc/63/62/51/500636251.db2.gz KXPJZNIVIZURQF-UHFFFAOYSA-N 2 0 374.710 3.244 20 0 FGADRP C[C@@H](NC(=O)CCC[NH+]1CCC([NH3+])CC1)c1cc(Cl)ccc1Cl ZINC000433159770 500636538 /nfs/dbraw/zinc/63/65/38/500636538.db2.gz FNDPVRYQLZNOLZ-GFCCVEGCSA-N 2 0 358.313 3.374 20 0 FGADRP Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000442864308 500636562 /nfs/dbraw/zinc/63/65/62/500636562.db2.gz CMFRJUFMZHRXRR-HNNXBMFYSA-N 2 0 373.570 3.190 20 0 FGADRP COc1ccc2c(c1)[C@@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)CCCS2 ZINC000442869584 500636891 /nfs/dbraw/zinc/63/68/91/500636891.db2.gz DSDUSVMUWLUQNM-SFHVURJKSA-N 2 0 363.571 3.238 20 0 FGADRP C[N@@H+]1CCN(CC[NH2+][C@H]2CCSc3ccc(Cl)cc32)CC1(C)C ZINC000442876590 500638030 /nfs/dbraw/zinc/63/80/30/500638030.db2.gz RXZHQXUQQJVNTA-INIZCTEOSA-N 2 0 353.963 3.493 20 0 FGADRP CC[C@@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)c1ccccc1OC(F)F ZINC000442877387 500638377 /nfs/dbraw/zinc/63/83/77/500638377.db2.gz TZYQAFOBFZNWHC-MRXNPFEDSA-N 2 0 355.473 3.355 20 0 FGADRP CCOc1c(Br)cc(C[N@@H+]2CCC[C@@H](CC[NH3+])C2)cc1OC ZINC000442917262 500646589 /nfs/dbraw/zinc/64/65/89/500646589.db2.gz CVAFBBSESQBSQX-ZDUSSCGKSA-N 2 0 371.319 3.417 20 0 FGADRP CCOc1cc(C[N@@H+]2CCC[C@@H](CC[NH3+])C2)cc(Br)c1OC ZINC000442917139 500646830 /nfs/dbraw/zinc/64/68/30/500646830.db2.gz CGTDFISPMIFVPB-ZDUSSCGKSA-N 2 0 371.319 3.417 20 0 FGADRP COc1cc(Br)c(C[N@@H+]2CCC[C@@H](CC[NH3+])C2)c(OC)c1 ZINC000442921548 500647798 /nfs/dbraw/zinc/64/77/98/500647798.db2.gz NRCXZYPPPFAFGF-LBPRGKRZSA-N 2 0 357.292 3.027 20 0 FGADRP [NH3+]CC[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(Cl)cc2C(F)(F)F)C1 ZINC000443068211 500673226 /nfs/dbraw/zinc/67/32/26/500673226.db2.gz VQIUJKSASXGMPI-NSHDSACASA-N 2 0 363.811 3.358 20 0 FGADRP O=C(NC[C@@H]1CCC[N@@H+]1C1CCCCC1)N[C@H]1CC[NH+](C2CCCC2)C1 ZINC000437701444 500683771 /nfs/dbraw/zinc/68/37/71/500683771.db2.gz FSOKTZZUBZOUGS-PXNSSMCTSA-N 2 0 362.562 3.100 20 0 FGADRP O=C(NC[C@H]1CCC[N@@H+]1C1CCCCC1)N[C@@H]1CC[NH+](C2CCCC2)C1 ZINC000437701451 500683865 /nfs/dbraw/zinc/68/38/65/500683865.db2.gz FSOKTZZUBZOUGS-YLJYHZDGSA-N 2 0 362.562 3.100 20 0 FGADRP C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000447973892 500699146 /nfs/dbraw/zinc/69/91/46/500699146.db2.gz CBAHPIMEQGXQSQ-HXUWFJFHSA-N 2 0 372.557 3.202 20 0 FGADRP C[C@H](NC(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1)C(C)(C)C[NH+](C)C ZINC000437808955 500700053 /nfs/dbraw/zinc/70/00/53/500700053.db2.gz HEHYTTIUWVWDLN-FUHWJXTLSA-N 2 0 352.567 3.059 20 0 FGADRP Cc1ccc([C@@H](CNC(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)[NH+]2CCCC2)o1 ZINC000433608408 500720748 /nfs/dbraw/zinc/72/07/48/500720748.db2.gz KDIDVRRNSBTLKE-RTBURBONSA-N 2 0 374.529 3.041 20 0 FGADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2cnn(Cc3ccc(F)cc3)c2)C1 ZINC000438094919 500737507 /nfs/dbraw/zinc/73/75/07/500737507.db2.gz HLCCLPYFUWHYBA-OAQYLSRUSA-N 2 0 374.504 3.003 20 0 FGADRP C[C@H](C1CC1)N(C(=O)C[NH+]1CCC(CCC[NH+]2CCCC2)CC1)C1CC1 ZINC000443591510 500742405 /nfs/dbraw/zinc/74/24/05/500742405.db2.gz JPRQMHCSDJNCEB-GOSISDBHSA-N 2 0 361.574 3.364 20 0 FGADRP C[C@@H](C(=O)NCCc1ccccc1)[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000443598517 500744036 /nfs/dbraw/zinc/74/40/36/500744036.db2.gz BXTXOXRFIKXDEC-FQEVSTJZSA-N 2 0 371.569 3.322 20 0 FGADRP C[N@H+](CC1CC1)C[C@H]1CC[NH+](C[C@H](O)Cc2ccccc2C(F)(F)F)C1 ZINC000443619482 500745851 /nfs/dbraw/zinc/74/58/51/500745851.db2.gz QQMGVEFISVVENE-SJLPKXTDSA-N 2 0 370.459 3.273 20 0 FGADRP C[C@@H](NC(=O)N(C)[C@H]1CCC[N@H+](Cc2ccccc2)C1)C(C)(C)C[NH+](C)C ZINC000443678816 500754559 /nfs/dbraw/zinc/75/45/59/500754559.db2.gz DIZWNERTNDYYSU-QUCCMNQESA-N 2 0 374.573 3.269 20 0 FGADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000433940155 500768271 /nfs/dbraw/zinc/76/82/71/500768271.db2.gz JZQDZAVSKMWICD-NRFANRHFSA-N 2 0 372.557 3.297 20 0 FGADRP CC[NH+](CC)Cc1ccc(CNC(=O)c2ccccc2CC[NH2+]C)cc1 ZINC000448551521 500771344 /nfs/dbraw/zinc/77/13/44/500771344.db2.gz UXWBJBUBVCUBAT-UHFFFAOYSA-N 2 0 353.510 3.220 20 0 FGADRP CC(C)[C@H]1CC[N@H+](CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)C1 ZINC000438475997 500790374 /nfs/dbraw/zinc/79/03/74/500790374.db2.gz DRBACFPYSVFTQC-SFHVURJKSA-N 2 0 361.555 3.152 20 0 FGADRP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@H+]2CC[C@H](C(C)C)C2)CC1 ZINC000438479370 500790480 /nfs/dbraw/zinc/79/04/80/500790480.db2.gz PBCIPLJVBDNLCD-FQEVSTJZSA-N 2 0 357.542 3.007 20 0 FGADRP CCO[C@@H]1C[C@@]([NH3+])(C(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)C1(C)C ZINC000444162494 500811983 /nfs/dbraw/zinc/81/19/83/500811983.db2.gz AWMSDHGKXONQJB-DENIHFKCSA-N 2 0 373.541 3.186 20 0 FGADRP C[C@@H](CNC(=O)N(CC[NH+](C)C)Cc1cccs1)[N@@H+]1CCCC[C@@H]1C ZINC000439177354 500866615 /nfs/dbraw/zinc/86/66/15/500866615.db2.gz LEYIMLYOUWIEEI-IRXDYDNUSA-N 2 0 366.575 3.084 20 0 FGADRP C[C@H]([NH3+])CCC(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000434691000 500880663 /nfs/dbraw/zinc/88/06/63/500880663.db2.gz MIPMIQSJTYHMGP-JOQOYGCGSA-N 2 0 371.447 3.332 20 0 FGADRP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]CCCN2CCCCCC2=O)CC1 ZINC000449063487 500915244 /nfs/dbraw/zinc/91/52/44/500915244.db2.gz PPBLFQZADJJNJA-HXUWFJFHSA-N 2 0 371.569 3.464 20 0 FGADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H](C)COc2ccc(Cl)c(Cl)c2)CC1 ZINC000449075669 500918901 /nfs/dbraw/zinc/91/89/01/500918901.db2.gz FVNJRDFHXZIPIU-GJZGRUSLSA-N 2 0 374.356 3.376 20 0 FGADRP CC[NH+](CC)CCOc1ccc(C[NH2+][C@@H]2CSC[C@@H]2C)cc1OC ZINC000449086601 500921383 /nfs/dbraw/zinc/92/13/83/500921383.db2.gz CXRACASONCGIRH-DOTOQJQBSA-N 2 0 352.544 3.257 20 0 FGADRP C([C@H]1CCOC1)[NH+]1CCC([NH2+]C2CCC(OC3CCCC3)CC2)CC1 ZINC000449163808 500938274 /nfs/dbraw/zinc/93/82/74/500938274.db2.gz XCVWOVNQAKYPIL-MPQSDHOMSA-N 2 0 350.547 3.347 20 0 FGADRP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@H]2CCO[C@@]3(CCOC3)C2)CC1 ZINC000449201453 500946910 /nfs/dbraw/zinc/94/69/10/500946910.db2.gz HBBBIKMPQHLDAH-COPCDDAFSA-N 2 0 358.526 3.010 20 0 FGADRP CCO[C@H](CC[NH+](C)C)C[NH2+]Cc1cnc(-c2ccccc2F)s1 ZINC000449222337 500951161 /nfs/dbraw/zinc/95/11/61/500951161.db2.gz LYKZLUWQUXIOJJ-CQSZACIVSA-N 2 0 351.491 3.396 20 0 FGADRP COc1cc(C[N@@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)ccc1OCc1ccncc1 ZINC000435378959 500963661 /nfs/dbraw/zinc/96/36/61/500963661.db2.gz KTGBLEXNEQOJGO-VQIMIIECSA-N 2 0 355.482 3.228 20 0 FGADRP COc1cccc(-c2nn(C(C)(C)C)cc2C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c1 ZINC000435380238 500963997 /nfs/dbraw/zinc/96/39/97/500963997.db2.gz QFYTXNDEBADGJJ-FFZOFVMBSA-N 2 0 368.525 3.483 20 0 FGADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C2CC[NH+]([C@@H](C)Cc3ccccc3)CC2)C1 ZINC000449297726 500970091 /nfs/dbraw/zinc/97/00/91/500970091.db2.gz DSBSOZZDPYAGPT-DSKINZAPSA-N 2 0 358.526 3.403 20 0 FGADRP Cc1cccc(CC[NH+]2CCC(OCCN3C[C@@H](C)O[C@H](C)C3)CC2)c1 ZINC000449323816 500977362 /nfs/dbraw/zinc/97/73/62/500977362.db2.gz AZEJZQRQZFWYFR-WOJBJXKFSA-N 2 0 360.542 3.128 20 0 FGADRP CSC1(C[NH2+]Cc2ccc3c(c2)OCCCCO3)CC[NH+](C)CC1 ZINC000449333000 500980471 /nfs/dbraw/zinc/98/04/71/500980471.db2.gz FPSBVGQVFGPLNQ-UHFFFAOYSA-N 2 0 350.528 3.155 20 0 FGADRP O[C@H](C[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)Cc1cccc(F)c1 ZINC000449358704 500986343 /nfs/dbraw/zinc/98/63/43/500986343.db2.gz FZFMBHLJEGMANJ-XXTHSBEZSA-N 2 0 368.496 3.229 20 0 FGADRP CC(C)(C)CC(C)(C)[NH+]1CCC(NC[C@@H]2CCC[N@@H+]2CCCO)CC1 ZINC000449387943 500991429 /nfs/dbraw/zinc/99/14/29/500991429.db2.gz NPLBMMGLBSBECR-IBGZPJMESA-N 2 0 353.595 3.102 20 0 FGADRP Cn1ccnc1CN(C(=O)CCCC1CCCC1)[C@H]1CC12CC[NH2+]CC2 ZINC000435561194 500992060 /nfs/dbraw/zinc/99/20/60/500992060.db2.gz RJEQBQWSOSUHRU-SFHVURJKSA-N 2 0 358.530 3.251 20 0 FGADRP CC[NH+]1CCN(c2ccccc2C[NH2+]Cc2cnc(OC)c(Cl)c2)CC1 ZINC000449461287 501008247 /nfs/dbraw/zinc/00/82/47/501008247.db2.gz POGNQAGYXVJCJZ-UHFFFAOYSA-N 2 0 374.916 3.175 20 0 FGADRP O=C(CC[N@H+](Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2)NC1CCCC1 ZINC000435698533 501013875 /nfs/dbraw/zinc/01/38/75/501013875.db2.gz WXNQFRHLGNFYLO-GOSISDBHSA-N 2 0 361.555 3.141 20 0 FGADRP CCC[NH+]1CCN(c2ccccc2C[N@@H+]2CC[C@@H](OCC)[C@@H](C)C2)CC1 ZINC000449491490 501015579 /nfs/dbraw/zinc/01/55/79/501015579.db2.gz HCCWTKQUPVYVAK-SIKLNZKXSA-N 2 0 359.558 3.466 20 0 FGADRP OC[C@@H]([C@H]([NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)C1CC1)C1CC1 ZINC000449501464 501019115 /nfs/dbraw/zinc/01/91/15/501019115.db2.gz FNACVFZFPKGJGO-VJFDXUIRSA-N 2 0 354.538 3.284 20 0 FGADRP CN(CC1([NH+](C)C)CCC1)C(=O)NC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000445972478 501056610 /nfs/dbraw/zinc/05/66/10/501056610.db2.gz WMFOHYOAOJUQHA-OAQYLSRUSA-N 2 0 372.557 3.167 20 0 FGADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]C[C@]1(C)OCCc2sccc21 ZINC000582455941 506232177 /nfs/dbraw/zinc/23/21/77/506232177.db2.gz SMUQWQFOOJJHFI-IBGZPJMESA-N 2 0 354.479 3.215 20 0 FGADRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2cc(Br)ccc2F)CC1 ZINC000449753436 501075358 /nfs/dbraw/zinc/07/53/58/501075358.db2.gz OLJRXCJEZFGUBU-UHFFFAOYSA-N 2 0 372.326 3.094 20 0 FGADRP COc1cc(F)cc(C[C@H](C)[NH2+]Cc2cn(-c3cc[nH+]cc3)nc2C)c1 ZINC000449779675 501084727 /nfs/dbraw/zinc/08/47/27/501084727.db2.gz DMMUHRUBVAOSQQ-AWEZNQCLSA-N 2 0 354.429 3.444 20 0 FGADRP CC(C)Oc1ccc2[nH+]ccc(N3CC[NH+](C4CCOCC4)CC3)c2c1 ZINC000450361643 501100150 /nfs/dbraw/zinc/10/01/50/501100150.db2.gz DEHMYBWDBXRUJC-UHFFFAOYSA-N 2 0 355.482 3.323 20 0 FGADRP O=C(CCC[NH+]1CCC(OCC[NH+]2CCCC2)CC1)c1ccc(F)cc1 ZINC000450452095 501125511 /nfs/dbraw/zinc/12/55/11/501125511.db2.gz LFRHAVUSNUSMBI-UHFFFAOYSA-N 2 0 362.489 3.365 20 0 FGADRP COc1ccc([C@H](CCn2cncn2)[NH2+]C[C@H](C)C[NH+]2CCCCC2)cc1 ZINC000446744688 501160299 /nfs/dbraw/zinc/16/02/99/501160299.db2.gz KFPURUJPKSSHAC-RXVVDRJESA-N 2 0 371.529 3.130 20 0 FGADRP CO[C@H](Cc1ccccc1)C[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000450643788 501173642 /nfs/dbraw/zinc/17/36/42/501173642.db2.gz RIEAGCIHMNBUIR-JOCHJYFZSA-N 2 0 353.510 3.488 20 0 FGADRP CC[C@H]([NH2+][C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C)c1cccc(F)c1 ZINC000446938162 501183684 /nfs/dbraw/zinc/18/36/84/501183684.db2.gz VMFAZGCDTKVOPW-SFTDATJTSA-N 2 0 371.500 3.156 20 0 FGADRP CC(C)[C@H](Cn1cccn1)[NH2+]Cc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000453064998 501261659 /nfs/dbraw/zinc/26/16/59/501261659.db2.gz HFWREZKTFHXKDC-KNKQGSTJSA-N 2 0 370.541 3.307 20 0 FGADRP COC1([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CCOCC1 ZINC000453123483 501274193 /nfs/dbraw/zinc/27/41/93/501274193.db2.gz YQEUCFFTPNFJCB-LBFURVHYSA-N 2 0 358.526 3.356 20 0 FGADRP C[NH+](C)C1(CN[C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)CCOCC1 ZINC000453126528 501274575 /nfs/dbraw/zinc/27/45/75/501274575.db2.gz SQARMHWETBJXHQ-VSKRKVRLSA-N 2 0 371.569 3.130 20 0 FGADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)NC(C)(C)C[NH+](C)C)cc1 ZINC000457648921 501277112 /nfs/dbraw/zinc/27/71/12/501277112.db2.gz LFMYCGZZDNJNAA-KRWDZBQOSA-N 2 0 360.546 3.200 20 0 FGADRP CC[C@H](CC(F)F)C(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000457670606 501283149 /nfs/dbraw/zinc/28/31/49/501283149.db2.gz NMORBYAUCRIERJ-KBAYOESNSA-N 2 0 373.532 3.463 20 0 FGADRP CC[NH+](CC)CC1CCN(C(=O)NC[C@H](c2cccs2)[NH+](C)C)CC1 ZINC000611647011 506243965 /nfs/dbraw/zinc/24/39/65/506243965.db2.gz LNRSTLVJLOWQDG-QGZVFWFLSA-N 2 0 366.575 3.114 20 0 FGADRP CCC[N@H+](CC)Cc1ccc(C(=O)NCc2ccc3c[nH+]cn3c2)cc1 ZINC000457977006 501348784 /nfs/dbraw/zinc/34/87/84/501348784.db2.gz QCOSZSYWEHSAGV-UHFFFAOYSA-N 2 0 350.466 3.496 20 0 FGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]Cc2sc(C)cc2Br)CC1 ZINC000453587861 501355028 /nfs/dbraw/zinc/35/50/28/501355028.db2.gz LIQGDZAFAZRTRK-ZDUSSCGKSA-N 2 0 374.392 3.182 20 0 FGADRP Cc1cc(NC(=O)c2cccc(C[NH+](C)C)c2)ccc1OCC[NH+](C)C ZINC000458200596 501390572 /nfs/dbraw/zinc/39/05/72/501390572.db2.gz SXOOGGXYGKHTFG-UHFFFAOYSA-N 2 0 355.482 3.249 20 0 FGADRP CC[NH+]1CCN(CC(C)(C)[NH2+]CCCOc2cccc(Cl)c2)CC1 ZINC000451987179 501413457 /nfs/dbraw/zinc/41/34/57/501413457.db2.gz NSRVCOPXSGOOMV-UHFFFAOYSA-N 2 0 353.938 3.115 20 0 FGADRP C[NH+](C)[C@H]1CCc2cc(NC(=O)N3CC[C@@H](C[NH+]4CCCC4)C3)ccc21 ZINC000455934015 501420065 /nfs/dbraw/zinc/42/00/65/501420065.db2.gz RBNUXULJCGBJJZ-JXFKEZNVSA-N 2 0 356.514 3.185 20 0 FGADRP C[C@@H](CNC(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C)C[NH+]1CCCCC1 ZINC000455938501 501420659 /nfs/dbraw/zinc/42/06/59/501420659.db2.gz SSPCJNILCHWNME-OXJNMPFZSA-N 2 0 358.530 3.479 20 0 FGADRP C[NH+](C)CC1CCC(NC(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)CC1 ZINC000455939817 501421254 /nfs/dbraw/zinc/42/12/54/501421254.db2.gz SZZJYUNYEIKQBS-LAGYLCCXSA-N 2 0 358.530 3.477 20 0 FGADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NC(C)(C)CCC[NH+](C)C ZINC000458519907 501464595 /nfs/dbraw/zinc/46/45/95/501464595.db2.gz WLBGTSFPDZBWPX-ICSRJNTNSA-N 2 0 374.573 3.317 20 0 FGADRP CC(C)(C)CC(C)(C)[NH+]1CCN(C(=O)NC2CC[NH+](C3CC3)CC2)CC1 ZINC000454222717 501486164 /nfs/dbraw/zinc/48/61/64/501486164.db2.gz YDIWPMDDGLJDSB-UHFFFAOYSA-N 2 0 364.578 3.155 20 0 FGADRP Cc1ccccc1[C@H]([C@@H](C)NC(=O)NC(C)(C)CCC[NH+](C)C)[NH+](C)C ZINC000458760782 501525366 /nfs/dbraw/zinc/52/53/66/501525366.db2.gz HAWKPDAQXCXGGJ-MJGOQNOKSA-N 2 0 362.562 3.406 20 0 FGADRP Cc1ccccc1[C@H]([C@H](C)NC(=O)NCC[C@H]1CCC[N@H+](C)C1)[NH+](C)C ZINC000458785445 501531282 /nfs/dbraw/zinc/53/12/82/501531282.db2.gz WMROUIWHIMNIFE-NSHGMRRFSA-N 2 0 360.546 3.017 20 0 FGADRP Cc1ccccc1[C@@H]([C@@H](C)NC(=O)NC1CC[NH+](C2CCC2)CC1)[NH+](C)C ZINC000458788366 501531865 /nfs/dbraw/zinc/53/18/65/501531865.db2.gz XYQBGUSALKYHCA-DYESRHJHSA-N 2 0 372.557 3.302 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)NCCCC[NH+](C)C2CC2)C1 ZINC000459149638 501603823 /nfs/dbraw/zinc/60/38/23/501603823.db2.gz GLZQJPAPDQEACW-RTBURBONSA-N 2 0 364.578 3.157 20 0 FGADRP C[N@@H+]1CCC[C@@H](CCNC(=O)N2CCC(CCC[NH+]3CCCC3)CC2)C1 ZINC000459262284 501620805 /nfs/dbraw/zinc/62/08/05/501620805.db2.gz LNSDQXVBZSJVJA-FQEVSTJZSA-N 2 0 364.578 3.016 20 0 FGADRP O=C(NCCCCC[NH+]1CCCC1)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000455120483 501691770 /nfs/dbraw/zinc/69/17/70/501691770.db2.gz RYWBDSSYFVEYOB-NRFANRHFSA-N 2 0 372.557 3.389 20 0 FGADRP CCCC[N@H+](C)C[C@H](C)NC(=O)N[C@@H]1CC[NH+]([C@@H](C)c2ccccc2)C1 ZINC000460107358 501727326 /nfs/dbraw/zinc/72/73/26/501727326.db2.gz IKJZPPMTXQEDCY-CMKODMSKSA-N 2 0 360.546 3.242 20 0 FGADRP CCC[C@H]([NH2+]C(C)C)C(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1C ZINC000477633968 501745507 /nfs/dbraw/zinc/74/55/07/501745507.db2.gz FBCTXZLVKSRHKB-FQEVSTJZSA-N 2 0 360.546 3.242 20 0 FGADRP CC(C)[C@@H](C[NH2+][C@H](C)Cc1cccc(C(F)(F)F)c1)N1CC[NH+](C)CC1 ZINC000467308443 501767956 /nfs/dbraw/zinc/76/79/56/501767956.db2.gz PEQRRJRYDCKDFR-VQIMIIECSA-N 2 0 371.491 3.498 20 0 FGADRP Cc1cc(C[NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)ccc1I ZINC000467373201 501780317 /nfs/dbraw/zinc/78/03/17/501780317.db2.gz KDMSIPYXOUPOIX-IUODEOHRSA-N 2 0 358.267 3.029 20 0 FGADRP Cc1cc(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)ccc1I ZINC000467373399 501780599 /nfs/dbraw/zinc/78/05/99/501780599.db2.gz LZSSPLBAFMUEJW-XJKCOSOUSA-N 2 0 372.294 3.418 20 0 FGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@@H](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000467383514 501783167 /nfs/dbraw/zinc/78/31/67/501783167.db2.gz UANSEZDTQAJCMT-IRXDYDNUSA-N 2 0 371.491 3.500 20 0 FGADRP CN(C(=O)NCC1([NH+](C)C)CCCC1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000470748692 501790906 /nfs/dbraw/zinc/79/09/06/501790906.db2.gz YRSMOYWBEZKLBD-FQEVSTJZSA-N 2 0 372.557 3.167 20 0 FGADRP CC[C@@H](C)[NH2+][C@H](CNC(=O)NC1CC[NH+](CC(C)C)CC1)c1ccco1 ZINC000477884692 501819553 /nfs/dbraw/zinc/81/95/53/501819553.db2.gz WZZNROWQWKNNRM-SJLPKXTDSA-N 2 0 364.534 3.128 20 0 FGADRP C[C@H]([NH2+]CC(C)(C)C[NH+]1CCCC1)[C@H](c1ccccc1)N1CCOCC1 ZINC000477910797 501826780 /nfs/dbraw/zinc/82/67/80/501826780.db2.gz GFQKQLDZASCEEM-PZJWPPBQSA-N 2 0 359.558 3.160 20 0 FGADRP C[NH+](C)CCCC[NH2+]Cc1c(F)ccc(I)c1F ZINC000474626481 501899414 /nfs/dbraw/zinc/89/94/14/501899414.db2.gz LNJXILRINXEDJB-UHFFFAOYSA-N 2 0 368.209 3.001 20 0 FGADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H](C)Cc2ccccc2C(F)(F)F)CC1 ZINC000481913279 501916917 /nfs/dbraw/zinc/91/69/17/501916917.db2.gz FAGBTNMRQFIATG-CVEARBPZSA-N 2 0 357.464 3.252 20 0 FGADRP CC[NH+](CC)CCCCNC(=O)[C@H]1CCCCN1Cc1ccc(F)cc1 ZINC000474700695 501926315 /nfs/dbraw/zinc/92/63/15/501926315.db2.gz IDYRZESVSDTVIW-HXUWFJFHSA-N 2 0 363.521 3.418 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H](NC[C@H](c2ccc(C)cc2)[NH+](C)C)[C@@H](C)C1 ZINC000481952353 501926979 /nfs/dbraw/zinc/92/69/79/501926979.db2.gz ULHJETRTXULICO-ILWGZMRPSA-N 2 0 361.574 3.324 20 0 FGADRP CC(C)C[C@H](CNC(=O)NC[C@H]1CCC[N@@H+]1C)[NH2+][C@H](C)c1ccccc1 ZINC000468028999 501934687 /nfs/dbraw/zinc/93/46/87/501934687.db2.gz XNVFQUGJZBUYEU-MISYRCLQSA-N 2 0 360.546 3.145 20 0 FGADRP C[NH+]1CCC(CC(=O)N[C@@H](C[N@@H+]2CCc3ccccc3C2)C(C)(C)C)CC1 ZINC000485789764 501938649 /nfs/dbraw/zinc/93/86/49/501938649.db2.gz HJYPUJFHUPJDML-NRFANRHFSA-N 2 0 371.569 3.308 20 0 FGADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)N(CC[NH+](C)C)C2CCCC2)C1 ZINC000468048128 501940548 /nfs/dbraw/zinc/94/05/48/501940548.db2.gz DYGIRSFIZLIXTO-UYAOXDASSA-N 2 0 372.557 3.338 20 0 FGADRP CC[C@@]1(C)CC[N@H+](CC(=O)NC2CC[NH+](Cc3ccccc3C)CC2)C1 ZINC000468126176 501965161 /nfs/dbraw/zinc/96/51/61/501965161.db2.gz XMBUEJRJBIGTPO-QFIPXVFZSA-N 2 0 357.542 3.198 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCc2nc(CC)c(C)s2)[C@H](C)C1 ZINC000482087211 501971035 /nfs/dbraw/zinc/97/10/35/501971035.db2.gz GYKGOAWKNQBMRX-QAPCUYQASA-N 2 0 353.576 3.283 20 0 FGADRP C[C@H]([NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1)c1cc2c(s1)CCC2 ZINC000482114103 501979099 /nfs/dbraw/zinc/97/90/99/501979099.db2.gz LAVGJUFLVDZGJV-KRWDZBQOSA-N 2 0 370.566 3.495 20 0 FGADRP C[C@@H]1C[C@H](c2ccccc2)C[N@@H+]1CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000475018420 502022585 /nfs/dbraw/zinc/02/25/85/502022585.db2.gz UWNQRBIHSNGEHP-COPCDDAFSA-N 2 0 365.521 3.284 20 0 FGADRP CCCN(CCC[NH+](C)C)C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000468428022 502056809 /nfs/dbraw/zinc/05/68/09/502056809.db2.gz QCJXAJYEDGXHDT-HXUWFJFHSA-N 2 0 360.546 3.197 20 0 FGADRP CCCN(CC[NH+]1CCCC1)C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000478736975 502071101 /nfs/dbraw/zinc/07/11/01/502071101.db2.gz HBQUMWCPZDTJSZ-UHFFFAOYSA-N 2 0 372.557 3.300 20 0 FGADRP C[NH+](C)CCN(Cc1ccco1)C(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000486189248 502077308 /nfs/dbraw/zinc/07/73/08/502077308.db2.gz HRPSXPBLKMSTLA-UHFFFAOYSA-N 2 0 369.509 3.470 20 0 FGADRP CCN(C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475163169 502087840 /nfs/dbraw/zinc/08/78/40/502087840.db2.gz FWVDKWUCRSLSSJ-AZUAARDMSA-N 2 0 374.573 3.269 20 0 FGADRP C[C@@H](CNC(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCCC[C@H]1C ZINC000471615278 502089192 /nfs/dbraw/zinc/08/91/92/502089192.db2.gz QRMNGGYALXWZIX-SVFBPWRDSA-N 2 0 372.557 3.071 20 0 FGADRP CC[C@H]([NH2+][C@H](C)CCN1CC[NH+](C)CC1)c1cc(Cl)ccc1OC ZINC000471620255 502091346 /nfs/dbraw/zinc/09/13/46/502091346.db2.gz PWQJTPWHAWWZDU-QAPCUYQASA-N 2 0 353.938 3.415 20 0 FGADRP COc1cc2c(cc1CNC[C@@H]1CC[N@H+](Cc3ccccc3)C1)OCO2 ZINC000475285083 502118433 /nfs/dbraw/zinc/11/84/33/502118433.db2.gz ZVKVOXMLFQOLEP-KRWDZBQOSA-N 2 0 354.450 3.036 20 0 FGADRP CNC(=O)c1ccc(C[N@@H+]2CCCC[C@@H]2[C@H](C[NH3+])Cc2ccccc2)cc1 ZINC000471833946 502149171 /nfs/dbraw/zinc/14/91/71/502149171.db2.gz DCPIPHHAXPWTIM-FCHUYYIVSA-N 2 0 365.521 3.218 20 0 FGADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H]1CCCc2cc(Br)ccc21 ZINC000479058691 502150732 /nfs/dbraw/zinc/15/07/32/502150732.db2.gz JQXMOHKOIKMUNC-KDOFPFPSSA-N 2 0 366.347 3.052 20 0 FGADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H]1CCCc2nn(-c3ccccc3)cc21 ZINC000479075128 502156293 /nfs/dbraw/zinc/15/62/93/502156293.db2.gz AZJYRDBUCHXBDE-QUCCMNQESA-N 2 0 356.514 3.196 20 0 FGADRP C[NH+](C)Cc1ccccc1C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000486543973 502185211 /nfs/dbraw/zinc/18/52/11/502185211.db2.gz IMGXKVPYHKVDBV-FQEVSTJZSA-N 2 0 351.494 3.143 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)[C@H](C[NH3+])c1ccc(F)cc1)c1ccsc1 ZINC000479182909 502185711 /nfs/dbraw/zinc/18/57/11/502185711.db2.gz DAJUAXVAPOMCNK-MSOLQXFVSA-N 2 0 363.502 3.129 20 0 FGADRP NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+][C@H](CC2CC2)c2ccc(Cl)cc2)C1 ZINC000468828644 502197336 /nfs/dbraw/zinc/19/73/36/502197336.db2.gz FCFMZGSBMSIKHC-IEBWSBKVSA-N 2 0 363.933 3.358 20 0 FGADRP Cc1ccc2[nH]c(C[NH2+]Cc3ccnc(N4CC[NH+](C)CC4)c3)cc2c1C ZINC000472062013 502215795 /nfs/dbraw/zinc/21/57/95/502215795.db2.gz GBNLYUOWQWHAFS-UHFFFAOYSA-N 2 0 363.509 3.221 20 0 FGADRP COc1c[nH+]ccc1N1CC[NH+](Cc2cccc(-c3ccncc3)c2)CC1 ZINC000475628120 502234818 /nfs/dbraw/zinc/23/48/18/502234818.db2.gz RBJGFOSUIXXUQN-UHFFFAOYSA-N 2 0 360.461 3.474 20 0 FGADRP CCC[NH+]1CCC([NH2+][C@@H](C)CCCCN2C(=O)c3ccccc3C2=O)CC1 ZINC000472143726 502246958 /nfs/dbraw/zinc/24/69/58/502246958.db2.gz HDUUFMQPDJPAKK-KRWDZBQOSA-N 2 0 371.525 3.305 20 0 FGADRP Cn1cc2c(n1)CCC[C@@H]2[NH2+]CCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000479404372 502248566 /nfs/dbraw/zinc/24/85/66/502248566.db2.gz DDPCMNYPDWYZSE-NRFANRHFSA-N 2 0 368.525 3.104 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)NCCC1CC[NH+](CC)CC1)c1ccccc1 ZINC000465423492 502256901 /nfs/dbraw/zinc/25/69/01/502256901.db2.gz RHCHYOGQJVXVND-NRFANRHFSA-N 2 0 374.573 3.491 20 0 FGADRP C[NH+](C)CCOc1cccc(NC(=O)N2CC[NH+](C3CCCCC3)CC2)c1 ZINC000483051935 502257859 /nfs/dbraw/zinc/25/78/59/502257859.db2.gz SDWDBDMPXLRLPS-UHFFFAOYSA-N 2 0 374.529 3.109 20 0 FGADRP CCCc1cccc(C[NH2+]CC2CC[NH+](CC(=O)NC(C)(C)C)CC2)c1 ZINC000479446426 502262434 /nfs/dbraw/zinc/26/24/34/502262434.db2.gz BHWDXNDQFZBHEZ-UHFFFAOYSA-N 2 0 359.558 3.355 20 0 FGADRP C[C@H](C[NH+]1CCCCCC1)NC(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000472195876 502265533 /nfs/dbraw/zinc/26/55/33/502265533.db2.gz VWJPWFLBMIUZNX-CTNGQTDRSA-N 2 0 372.557 3.072 20 0 FGADRP CC(C)(CC[NH+]1CCCCCC1)NC(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000483084518 502266449 /nfs/dbraw/zinc/26/64/49/502266449.db2.gz DXIHHYXMQNQJGF-SFHVURJKSA-N 2 0 364.578 3.347 20 0 FGADRP C[C@@H]1C[C@@H](C)[C@H](C)[N@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000475725138 502266835 /nfs/dbraw/zinc/26/68/35/502266835.db2.gz XYMSWCQLKGLSGI-QRVBRYPASA-N 2 0 357.542 3.265 20 0 FGADRP CCCC[N@H+](C)C[C@@H](C)NC(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000462003254 502268909 /nfs/dbraw/zinc/26/89/09/502268909.db2.gz NXSNHASTBNBNCU-UXHICEINSA-N 2 0 366.594 3.260 20 0 FGADRP CC(C)[N@@H+](C)C[C@H](C)NC(=O)N1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000462004224 502270322 /nfs/dbraw/zinc/27/03/22/502270322.db2.gz QBAVOTFOAOOQEH-GBESFXJTSA-N 2 0 352.567 3.011 20 0 FGADRP CC[C@@H]1C[N@H+](CC(=O)NC2CC[NH+](CC)CC2)CC[C@H]1c1ccccc1 ZINC000472236801 502280347 /nfs/dbraw/zinc/28/03/47/502280347.db2.gz CBQSQZADOYCYNR-WIYYLYMNSA-N 2 0 357.542 3.103 20 0 FGADRP CC[N@H+](CC1CCC1)[C@@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000483123288 502281578 /nfs/dbraw/zinc/28/15/78/502281578.db2.gz UVJOJDJERKVYEC-SFHVURJKSA-N 2 0 357.542 3.278 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)NCc1ccc(C[NH+]2CCC[C@H](C)C2)cc1 ZINC000465545162 502300935 /nfs/dbraw/zinc/30/09/35/502300935.db2.gz BMIPOEZOIPBTCY-GHTZIAJQSA-N 2 0 372.557 3.202 20 0 FGADRP Cc1nccc(NCc2ccccc2C[NH+]2CCN(c3ccccc3)CC2)n1 ZINC000462094098 502304286 /nfs/dbraw/zinc/30/42/86/502304286.db2.gz QEOARXVTSJGVAN-UHFFFAOYSA-N 2 0 373.504 3.141 20 0 FGADRP CCC(CC)[C@@H](CNC(=O)N1CC[C@H]([NH+](CC)CC)C1)[NH+]1CCCC1 ZINC000465568400 502310270 /nfs/dbraw/zinc/31/02/70/502310270.db2.gz DHBBATXUUCJDMG-RBUKOAKNSA-N 2 0 352.567 3.013 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@H]2CC[NH+](Cc3ccccc3)C2)C[C@H]1C ZINC000472312679 502311150 /nfs/dbraw/zinc/31/11/50/502311150.db2.gz JUFTWIQVDVZEBD-NRSPTQNISA-N 2 0 372.557 3.023 20 0 FGADRP CCC(CC)[C@@H](CNC(=O)NCCC1CC[NH+](CC)CC1)[NH+]1CCCC1 ZINC000465572203 502311298 /nfs/dbraw/zinc/31/12/98/502311298.db2.gz MAMVZMMBJHZAHQ-HXUWFJFHSA-N 2 0 366.594 3.308 20 0 FGADRP O=C(c1cc(Cl)cc(Cl)c1)N1CC[NH+](CCC2CC[NH2+]CC2)CC1 ZINC000479674037 502339839 /nfs/dbraw/zinc/33/98/39/502339839.db2.gz NAESSZWEMAHURU-UHFFFAOYSA-N 2 0 370.324 3.141 20 0 FGADRP CCC[N@H+](CCC1CC[NH2+]CC1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000479701060 502349721 /nfs/dbraw/zinc/34/97/21/502349721.db2.gz ONMFXZPBYZUQQJ-UHFFFAOYSA-N 2 0 357.542 3.393 20 0 FGADRP CCn1cc(CC[NH2+][C@@H](C)c2cc(F)ccc2N2CC[NH+](CC)CC2)cn1 ZINC000472567361 502386115 /nfs/dbraw/zinc/38/61/15/502386115.db2.gz GIGJFTOFRRBKKP-KRWDZBQOSA-N 2 0 373.520 3.077 20 0 FGADRP CN1CCC([NH+]2CCC(CC[N@H+](C)CCCc3ccncc3)CC2)CC1 ZINC000462316377 502390561 /nfs/dbraw/zinc/39/05/61/502390561.db2.gz APLSCGZMHFITKQ-UHFFFAOYSA-N 2 0 358.574 3.142 20 0 FGADRP CCCCCNC(=O)CN1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000483484886 502405834 /nfs/dbraw/zinc/40/58/34/502405834.db2.gz QVJXCCZOWMGQGD-NHCUHLMSSA-N 2 0 357.542 3.279 20 0 FGADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2C(C)C ZINC000465861479 502406039 /nfs/dbraw/zinc/40/60/39/502406039.db2.gz DLWUKLLFEUWHNQ-AQNXPRMDSA-N 2 0 364.578 3.298 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)C[C@@H]1C ZINC000483494477 502410767 /nfs/dbraw/zinc/41/07/67/502410767.db2.gz ADIPZMYLHQZARA-JBACZVJFSA-N 2 0 372.557 3.338 20 0 FGADRP C[NH+]1CCN(c2ccc(C(F)(F)F)cc2C[NH2+]C[C@H]2CCSC2)CC1 ZINC000487301233 502412439 /nfs/dbraw/zinc/41/24/39/502412439.db2.gz RBCICJAIXXIHHU-CQSZACIVSA-N 2 0 373.488 3.300 20 0 FGADRP C[C@@H](CNC(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1)[NH+](C)Cc1ccccc1 ZINC000465890954 502416824 /nfs/dbraw/zinc/41/68/24/502416824.db2.gz KPUPGCBDAUYLKO-RXVVDRJESA-N 2 0 372.557 3.071 20 0 FGADRP CC[N@H+](Cc1ccc(C(=O)N2CC[C@H]3[C@@H](CCC[NH+]3C)C2)cc1)C1CC1 ZINC000483546225 502427795 /nfs/dbraw/zinc/42/77/95/502427795.db2.gz CCRMSJVREGVPLY-FPOVZHCZSA-N 2 0 355.526 3.227 20 0 FGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000483561598 502432099 /nfs/dbraw/zinc/43/20/99/502432099.db2.gz NQSRSPWYICVXMQ-BHDDXSALSA-N 2 0 369.553 3.374 20 0 FGADRP COc1cc2c(NCC3([NH+]4CCCC4)CCOCC3)cc[nH+]c2cc1F ZINC000479979954 502435698 /nfs/dbraw/zinc/43/56/98/502435698.db2.gz BSJNXCXZVOSKAC-UHFFFAOYSA-N 2 0 359.445 3.439 20 0 FGADRP O=C(NCCCCC[NH+]1CCCCC1)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000465953260 502438666 /nfs/dbraw/zinc/43/86/66/502438666.db2.gz LVCDXBFMKOSEAY-HXUWFJFHSA-N 2 0 364.578 3.206 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NCCCC[NH+]2CCC[C@@H](C)C2)C[C@@H]1C ZINC000483684656 502462994 /nfs/dbraw/zinc/46/29/94/502462994.db2.gz NTPNPGLJYBWDCE-QYZOEREBSA-N 2 0 352.567 3.013 20 0 FGADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)NCCC[NH+](C)C2CCCCC2)C[C@@H]1C ZINC000483700261 502467255 /nfs/dbraw/zinc/46/72/55/502467255.db2.gz JZNDNSFNMDABHP-PKOBYXMFSA-N 2 0 352.567 3.155 20 0 FGADRP C[C@@H](CCNC(=O)NCCC[NH+]1CCCCC1)[N@H+](C)Cc1ccccc1 ZINC000472933868 502475624 /nfs/dbraw/zinc/47/56/24/502475624.db2.gz WXRCRCYUQZLWEH-IBGZPJMESA-N 2 0 360.546 3.072 20 0 FGADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)N(C)[C@H]1CC[NH+](CC)[C@H](C)C1 ZINC000483795822 502495288 /nfs/dbraw/zinc/49/52/88/502495288.db2.gz BMKWXYQISHFTDE-CEXWTWQISA-N 2 0 352.567 3.155 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@@H]2CCC[NH+]2Cc2ccccc2)C[C@H]1C ZINC000483806060 502497711 /nfs/dbraw/zinc/49/77/11/502497711.db2.gz JQMPGYTZSRTRLI-GIVPXCGWSA-N 2 0 372.557 3.165 20 0 FGADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N[C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000473277996 502556411 /nfs/dbraw/zinc/55/64/11/502556411.db2.gz CWGXCKUSMVCSPN-KKXBDNRESA-N 2 0 357.542 3.132 20 0 FGADRP Cc1nn(-c2ccc(Br)cc2)cc1C[N@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000469851547 502567644 /nfs/dbraw/zinc/56/76/44/502567644.db2.gz YWERBRJLUVIZLP-JSGCOSHPSA-N 2 0 363.303 3.112 20 0 FGADRP CCc1oc2ccccc2c1C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000469860168 502571706 /nfs/dbraw/zinc/57/17/06/502571706.db2.gz DPYQLVXQVFJJLZ-APWZRJJASA-N 2 0 369.509 3.075 20 0 FGADRP CCCOc1ccc([C@H](C)[NH2+]CC2(O)CC[NH+](C)CC2)c(OCCC)c1 ZINC000484138394 502580844 /nfs/dbraw/zinc/58/08/44/502580844.db2.gz DLMDXPAUSSNVMK-KRWDZBQOSA-N 2 0 364.530 3.372 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC000462812470 502584281 /nfs/dbraw/zinc/58/42/81/502584281.db2.gz NYQZWCGAEGIASI-QMMLZNLJSA-N 2 0 355.526 3.030 20 0 FGADRP C[C@H](C(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1)[NH+]1CCCCCC1 ZINC000469920651 502597449 /nfs/dbraw/zinc/59/74/49/502597449.db2.gz UICLNLDDDSFDCS-OAHLLOKOSA-N 2 0 367.921 3.483 20 0 FGADRP COc1ccc(C[C@H](C)C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)cc1F ZINC000469980150 502616885 /nfs/dbraw/zinc/61/68/85/502616885.db2.gz BEMMNICTZMTFLS-YYKUARIBSA-N 2 0 364.505 3.196 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H](NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)[C@@H](C)C1 ZINC000480601479 502617245 /nfs/dbraw/zinc/61/72/45/502617245.db2.gz AHOYPXWUOMNVDH-CGXNFDGLSA-N 3 0 353.595 3.081 20 0 FGADRP C[C@@H]1C[C@H](C[NH+]2CCC[C@H]([N@@H+](C)C[C@H]3CCO[C@@H](C)C3)CC2)CCO1 ZINC000488098207 502626004 /nfs/dbraw/zinc/62/60/04/502626004.db2.gz BSVRCDTZUGYBCD-LUYSREMJSA-N 2 0 352.563 3.403 20 0 FGADRP CCC[N@@H+]1CCC[C@H]1CNC(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000476950511 502631151 /nfs/dbraw/zinc/63/11/51/502631151.db2.gz IJIVOLDXJQVHQG-NRFANRHFSA-N 2 0 372.557 3.346 20 0 FGADRP OC[C@@H](Cc1ccccc1)[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000480679630 502640636 /nfs/dbraw/zinc/64/06/36/502640636.db2.gz VPYIKTINHZBOTH-OLKYXYMISA-N 2 0 364.533 3.480 20 0 FGADRP CCOc1cc2[nH+]ccc(N[C@H]3CC[N@@H+]4CCC[C@H]4C3)c2cc1OCC ZINC000488173136 502646396 /nfs/dbraw/zinc/64/63/96/502646396.db2.gz BTNLNPRLRZNCLH-HOTGVXAUSA-N 2 0 355.482 3.493 20 0 FGADRP CCC[N@H+](CC)C[C@H](C)NC(=O)N(C)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000463058426 502679099 /nfs/dbraw/zinc/67/90/99/502679099.db2.gz MAAUSQNHELFOOY-ICSRJNTNSA-N 2 0 360.546 3.023 20 0 FGADRP C[NH+](C)CCOc1ccccc1N1CC[NH+]([C@@H]2C[C@@H]2c2ccccc2)CC1 ZINC000463100538 502694080 /nfs/dbraw/zinc/69/40/80/502694080.db2.gz ZPIMSAHBZFCQDP-IFMALSPDSA-N 2 0 365.521 3.305 20 0 FGADRP C[C@H](NC(=O)NCC[N@H+](C)Cc1ccccc1)[C@H](c1ccccc1)[NH+](C)C ZINC000484668293 502703203 /nfs/dbraw/zinc/70/32/03/502703203.db2.gz GHRADWNPXYQEDR-GHTZIAJQSA-N 2 0 368.525 3.109 20 0 FGADRP C[NH+](C)CCOc1ccc(CC[NH2+]C2CCN(c3ccccc3)CC2)cc1 ZINC000463146144 502705354 /nfs/dbraw/zinc/70/53/54/502705354.db2.gz FCNSAOJBEHHSFZ-UHFFFAOYSA-N 2 0 367.537 3.428 20 0 FGADRP CC[NH+](CC)[C@H](C(=O)N1CC[C@H]([C@@H](C)[NH3+])C1)c1cccc(C(F)(F)F)c1 ZINC000484688984 502708732 /nfs/dbraw/zinc/70/87/32/502708732.db2.gz KWQMQOUGTDADPT-KMFMINBZSA-N 2 0 371.447 3.284 20 0 FGADRP CC(C)C[C@H](CNC(=O)N1CC[C@@H](C[NH+](C)C)C1)[NH2+][C@@H](C)c1ccccc1 ZINC000484709029 502715457 /nfs/dbraw/zinc/71/54/57/502715457.db2.gz LWHUOSWGHVVBRE-IRFCIJBXSA-N 2 0 374.573 3.345 20 0 FGADRP C[NH+](C)CCc1ccc(CNC(=O)NC[C@@H](C2CCCCC2)[NH+](C)C)cc1 ZINC000466983986 502748243 /nfs/dbraw/zinc/74/82/43/502748243.db2.gz XELZZBMINFXVKG-NRFANRHFSA-N 2 0 374.573 3.100 20 0 FGADRP C[N@@H+]1CCC[C@@H](CNC(=O)c2ccc3c(c2)C[NH2+]C3)[C@H]1c1cccs1 ZINC000470366030 502752021 /nfs/dbraw/zinc/75/20/21/502752021.db2.gz BGIQVTRBJSTEMK-LPHOPBHVSA-N 2 0 355.507 3.164 20 0 FGADRP CC1CC[NH+](Cc2cccc(CNC(=O)c3ccc4c(c3)C[NH2+]C4)c2)CC1 ZINC000470373834 502753998 /nfs/dbraw/zinc/75/39/98/502753998.db2.gz NCQLAJISLUXQIN-UHFFFAOYSA-N 2 0 363.505 3.452 20 0 FGADRP C[C@H]([NH3+])[C@H]1CC[N@H+](CCC(=O)Nc2ccccc2Oc2ccccc2)C1 ZINC000484932129 502781280 /nfs/dbraw/zinc/78/12/80/502781280.db2.gz CXQAUEKCXVRZQF-IRXDYDNUSA-N 2 0 353.466 3.477 20 0 FGADRP CCN(Cc1cccs1)[C@@H](C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000485040644 502807793 /nfs/dbraw/zinc/80/77/93/502807793.db2.gz COMOMCQPLAGHCW-HKUYNNGSSA-N 2 0 371.550 3.349 20 0 FGADRP C[C@H]1CCCC[N@@H+]1CCCNC(=O)N[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000504877567 502817755 /nfs/dbraw/zinc/81/77/55/502817755.db2.gz VNVYHWIEBXWJKG-FPOVZHCZSA-N 2 0 372.557 3.215 20 0 FGADRP C[N@H+](C[C@@H](O)Cc1ccccc1C(F)(F)F)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000513145418 502862444 /nfs/dbraw/zinc/86/24/44/502862444.db2.gz SUWZGWFCEZZCKE-WFVVYAPDSA-N 2 0 356.432 3.166 20 0 FGADRP CC[N@@H+]1CCC[C@@H](CNC(=O)NC[C@@]2(C)CCC[NH+]2Cc2ccccc2)C1 ZINC000489076226 502874932 /nfs/dbraw/zinc/87/49/32/502874932.db2.gz POWOBAKYNYVWPB-RBBKRZOGSA-N 2 0 372.557 3.072 20 0 FGADRP CN(C(=O)c1sccc1F)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC000489148589 502887653 /nfs/dbraw/zinc/88/76/53/502887653.db2.gz PQGGAYQOFWLISQ-DLBZAZTESA-N 2 0 367.534 3.296 20 0 FGADRP C[C@H]1CCC[C@H](C)N1C(=O)C[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501032506 502916900 /nfs/dbraw/zinc/91/69/00/502916900.db2.gz PQKKDUCYZBFHPK-ROUUACIJSA-N 2 0 358.530 3.019 20 0 FGADRP C[N@@H+]1CCN(CC[NH2+]CC(c2ccccc2)c2ccccc2)CC1(C)C ZINC000513496232 502953446 /nfs/dbraw/zinc/95/34/46/502953446.db2.gz BLKLFBACQFINMV-UHFFFAOYSA-N 2 0 351.538 3.434 20 0 FGADRP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)Cc2ccc3c(c2)CCC(C)(C)O3)CC1 ZINC000513525104 502958696 /nfs/dbraw/zinc/95/86/96/502958696.db2.gz NAYFSDUUEINULG-QGZVFWFLSA-N 2 0 360.542 3.315 20 0 FGADRP Cn1c2ccc(C[NH2+]Cc3ccccc3C[NH+]3CCCCC3)cc2oc1=O ZINC000509699163 502970619 /nfs/dbraw/zinc/97/06/19/502970619.db2.gz QOWLJMSZZZPRRX-UHFFFAOYSA-N 2 0 365.477 3.407 20 0 FGADRP CC[N@H+](CCNC(=O)NCC[C@@H]1C[C@H](C)[NH+](Cc2ccccc2)C1)C1CC1 ZINC000509710983 502973635 /nfs/dbraw/zinc/97/36/35/502973635.db2.gz HFMDRCPVVNWALC-AZUAARDMSA-N 2 0 372.557 3.071 20 0 FGADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@H]1CC[NH+](Cc2ccccc2)C[C@@H]1C ZINC000489604390 502996355 /nfs/dbraw/zinc/99/63/55/502996355.db2.gz XTOPQCROMAPFNT-TYPHKJRUSA-N 2 0 372.557 3.071 20 0 FGADRP C[C@@H]1CN(C(=O)c2cccc(C[NH+](C)C)c2)[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC000501619028 503050683 /nfs/dbraw/zinc/05/06/83/503050683.db2.gz PBGGMSZJRLAMBV-MOPGFXCFSA-N 2 0 365.521 3.483 20 0 FGADRP CCC[C@H]([NH3+])C(=O)N1CCC([N@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000497908184 503064738 /nfs/dbraw/zinc/06/47/38/503064738.db2.gz OBTUAZRXBOLHSK-KRWDZBQOSA-N 2 0 371.447 3.256 20 0 FGADRP C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000501742150 503070968 /nfs/dbraw/zinc/07/09/68/503070968.db2.gz MLBCWUCJKFKYJN-QGZVFWFLSA-N 2 0 367.484 3.120 20 0 FGADRP CC[N@H+](CC(=O)NCC1(CC)CC[NH+](Cc2ccccc2)CC1)C1CC1 ZINC000514058439 503076872 /nfs/dbraw/zinc/07/68/72/503076872.db2.gz VVDKVBVUBBDNJA-UHFFFAOYSA-N 2 0 357.542 3.279 20 0 FGADRP C[NH+](C)C[C@H](NC(=O)CC[C@H]1CCCC[N@@H+]1C)c1ccc(Cl)cc1 ZINC000510293703 503086599 /nfs/dbraw/zinc/08/65/99/503086599.db2.gz AKXBCWFZCURNGK-MSOLQXFVSA-N 2 0 351.922 3.323 20 0 FGADRP CCC[NH+]1CCC(CNC(=O)NC[C@H](c2ccccc2)[NH+](CC)CC)CC1 ZINC000514144359 503097607 /nfs/dbraw/zinc/09/76/07/503097607.db2.gz DZAKFXXKUORYQI-OAQYLSRUSA-N 2 0 374.573 3.491 20 0 FGADRP COC[C@H](c1ccc(Cl)cc1)[N@H+](C)CCCN1CC[NH+](C(C)C)CC1 ZINC000501876496 503100139 /nfs/dbraw/zinc/10/01/39/503100139.db2.gz NPTDFFZHVBSMKQ-HXUWFJFHSA-N 2 0 367.965 3.375 20 0 FGADRP COc1cc(N[C@@H]2CCC[N@H+](CC[C@H]3CCCC[NH+]3C)C2)cc(OC)c1 ZINC000490067713 503103106 /nfs/dbraw/zinc/10/31/06/503103106.db2.gz PIHGZFBDOVNIPS-IEBWSBKVSA-N 2 0 361.530 3.455 20 0 FGADRP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000514186298 503107612 /nfs/dbraw/zinc/10/76/12/503107612.db2.gz JMKFPPMYGZBBOK-ICSRJNTNSA-N 2 0 372.557 3.071 20 0 FGADRP Cc1ccccc1[C@@H]([C@@H](C)NC(=O)c1cccc(C[NH+](C)C)c1)[NH+](C)C ZINC000510521243 503131970 /nfs/dbraw/zinc/13/19/70/503131970.db2.gz IAVFAIXFRLRBFZ-DYESRHJHSA-N 2 0 353.510 3.478 20 0 FGADRP CCCC[NH+]1CCC(NC(=O)NC[C@H]([NH2+][C@@H](C)CC)c2ccco2)CC1 ZINC000490216230 503133014 /nfs/dbraw/zinc/13/30/14/503133014.db2.gz KHJVJMFCQDZNTB-WMZOPIPTSA-N 2 0 364.534 3.273 20 0 FGADRP C[C@H](NC(=O)NCC1([NH+]2CCCCC2)CCCCC1)C1=CC[N@H+](C)CC1 ZINC000510554391 503143725 /nfs/dbraw/zinc/14/37/25/503143725.db2.gz SPXNKACAEOHAMG-SFHVURJKSA-N 2 0 362.562 3.125 20 0 FGADRP CC[NH+](CC)Cc1ccccc1CNC(=O)N1C[C@H](C)[N@H+](CC)C[C@H]1C ZINC000498259768 503145237 /nfs/dbraw/zinc/14/52/37/503145237.db2.gz OFGHLSBBNXDUED-ZWKOTPCHSA-N 2 0 360.546 3.153 20 0 FGADRP CC(C)Cc1ccc([C@@H](CNC(=O)CC2CC[NH+](C)CC2)[NH+](C)C)cc1 ZINC000490497050 503183232 /nfs/dbraw/zinc/18/32/32/503183232.db2.gz YQYSWNYQTDQART-OAQYLSRUSA-N 2 0 359.558 3.336 20 0 FGADRP COCC[C@H]1CCC[C@@H]1[NH2+]CCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000502362649 503187098 /nfs/dbraw/zinc/18/70/98/503187098.db2.gz AMOKXAJLTKHUOM-IRLDBZIGSA-N 2 0 359.558 3.384 20 0 FGADRP CC[N@H+](Cc1ccc(C(=O)N2CCC(CC[NH+](C)C)CC2)cc1)C1CC1 ZINC000498636925 503229770 /nfs/dbraw/zinc/22/97/70/503229770.db2.gz DTFHTCAALQJBRV-UHFFFAOYSA-N 2 0 357.542 3.475 20 0 FGADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCCC23CC[NH+](C)CC3)C1 ZINC000511019769 503236355 /nfs/dbraw/zinc/23/63/55/503236355.db2.gz WBPXJCNVRBWDDQ-GOSISDBHSA-N 2 0 364.578 3.157 20 0 FGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[NH+](CCCc2ccccc2)CC1 ZINC000507138212 503238045 /nfs/dbraw/zinc/23/80/45/503238045.db2.gz IMLNZKRYEANISL-OAQYLSRUSA-N 2 0 357.542 3.028 20 0 FGADRP O[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]CCc2ccc(F)cc2Cl)CC1 ZINC000514976467 503240217 /nfs/dbraw/zinc/24/02/17/503240217.db2.gz BRXRQRMNUNXIMW-OALUTQOASA-N 2 0 354.897 3.379 20 0 FGADRP Cc1ccc([C@@H](CNC(=O)N[C@@H](C)C2=CC[N@H+](C)CC2)[NH+]2CCCC2)cc1 ZINC000511215052 503281551 /nfs/dbraw/zinc/28/15/51/503281551.db2.gz GUKHUQATFNSFLZ-GHTZIAJQSA-N 2 0 370.541 3.082 20 0 FGADRP C[C@@H]1CCCC[NH+]1CCCNC(=O)NCCCC[N@H+]1CCCC[C@H]1C ZINC000502874157 503294858 /nfs/dbraw/zinc/29/48/58/503294858.db2.gz DTXXMXPMKNRBKM-RTBURBONSA-N 2 0 352.567 3.205 20 0 FGADRP CC[N@@H+]1CCC[C@H](CNC(=O)NC2CC[NH+]([C@H](C)c3ccccc3)CC2)C1 ZINC000507415175 503297114 /nfs/dbraw/zinc/29/71/14/503297114.db2.gz UCYRSCISSPFLMV-RTBURBONSA-N 2 0 372.557 3.243 20 0 FGADRP CC(C)(C)NC(=O)C[NH+]1CCC(C[NH2+]C[C@H]2C[C@H]2c2ccccc2)CC1 ZINC000503052343 503335930 /nfs/dbraw/zinc/33/59/30/503335930.db2.gz ONORQCWLOFYYBG-UXHICEINSA-N 2 0 357.542 3.006 20 0 FGADRP CCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@H]1CC[NH+](Cc2ccccc2)C[C@@H]1C ZINC000499108880 503336373 /nfs/dbraw/zinc/33/63/73/503336373.db2.gz CRNINFCCNASHLI-JBACZVJFSA-N 2 0 372.557 3.071 20 0 FGADRP CC[C@H](C)[C@@H]1CN(Cc2ccc(C)nc2)CC[N@@H+]1CC[C@H]1CCC[NH+]1C ZINC000503065141 503339594 /nfs/dbraw/zinc/33/95/94/503339594.db2.gz VAXDCPADSXNUEV-BWAGFHJFSA-N 2 0 358.574 3.407 20 0 FGADRP CC[NH+]1CCN(c2ccccc2C[NH2+]CCc2nnc(C(C)C)s2)CC1 ZINC000492039864 503344894 /nfs/dbraw/zinc/34/48/94/503344894.db2.gz CYSKCMQPBUHUMP-UHFFFAOYSA-N 2 0 373.570 3.136 20 0 FGADRP CC[NH+](CC)CCNC(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCCC1 ZINC000503114176 503350201 /nfs/dbraw/zinc/35/02/01/503350201.db2.gz ZALWBQLSRSVYDT-SFHVURJKSA-N 2 0 360.546 3.291 20 0 FGADRP CCCN(CC[NH+]1CCCC1)C(=O)N[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000499186084 503351702 /nfs/dbraw/zinc/35/17/02/503351702.db2.gz AEQXIPWEXTXHPS-PZJWPPBQSA-N 2 0 372.557 3.167 20 0 FGADRP Cc1cccc(C[N@@H+](CC(=O)NC2CC[NH+](C(C)C)CC2)CC(C)C)c1 ZINC000511611604 503354487 /nfs/dbraw/zinc/35/44/87/503354487.db2.gz ANRPIAWODZFHDP-UHFFFAOYSA-N 2 0 359.558 3.442 20 0 FGADRP C[C@@H]1[C@H](NC(=O)N[C@@H]2CC[NH+](Cc3ccccc3)CC2(C)C)CCC[N@@H+]1C ZINC000511882871 503407300 /nfs/dbraw/zinc/40/73/00/503407300.db2.gz XOQSNOLBHDNJOI-MISYRCLQSA-N 2 0 372.557 3.069 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C1CC1)c1ccccc1Cl ZINC000493233843 503414531 /nfs/dbraw/zinc/41/45/31/503414531.db2.gz FFBKBTLUSWVEQZ-RBUKOAKNSA-N 2 0 363.933 3.466 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccc(C(F)(F)F)cc1 ZINC000499506637 503421018 /nfs/dbraw/zinc/42/10/18/503421018.db2.gz GMDATQMMEIMEHP-QGZVFWFLSA-N 2 0 371.447 3.194 20 0 FGADRP C[N@H+]1CC=C(C[NH2+]Cc2cnn(-c3ccc(C(F)(F)F)cc3)c2)CC1 ZINC000511954128 503422708 /nfs/dbraw/zinc/42/27/08/503422708.db2.gz IZXBCBNRXPGWGE-UHFFFAOYSA-N 2 0 350.388 3.243 20 0 FGADRP CC[C@H]1C[C@H](C[NH2+]CCCC[NH+]2CCN(Cc3ccccc3)CC2)CCO1 ZINC000503575874 503439858 /nfs/dbraw/zinc/43/98/58/503439858.db2.gz LAOUONKRKHHKGO-PKTZIBPZSA-N 2 0 373.585 3.379 20 0 FGADRP CN1C(=O)C[C@@H](NCCC[NH+]2CCCCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000493887563 503453187 /nfs/dbraw/zinc/45/31/87/503453187.db2.gz FTJPTUIZFKXWIT-MJGOQNOKSA-N 2 0 367.896 3.217 20 0 FGADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)N[C@H]2CC[NH+](Cc3ccccc3)[C@H]2C)C1 ZINC000493911315 503457288 /nfs/dbraw/zinc/45/72/88/503457288.db2.gz FWAOXDAMPLQTGL-TYPHKJRUSA-N 2 0 372.557 3.069 20 0 FGADRP CC[NH+](CC)Cc1cccc(CNC(=O)N[C@@H](C)C[N@@H+]2CCC[C@H](C)C2)c1 ZINC000516244462 503479574 /nfs/dbraw/zinc/47/95/74/503479574.db2.gz SSOKGGIMVGEMEX-OALUTQOASA-N 2 0 374.573 3.448 20 0 FGADRP C[C@H](NC(=O)CC[C@@H]1CCCC[N@@H+]1C)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000503882169 503482547 /nfs/dbraw/zinc/48/25/47/503482547.db2.gz FQFVICPXNSBAJS-JBACZVJFSA-N 2 0 357.542 3.278 20 0 FGADRP C[C@@H]1C[C@@H](CC[NH2+][C@@H](C(N)=O)c2ccc(F)cc2)C[N@@H+]1Cc1ccccc1 ZINC000512289940 503510201 /nfs/dbraw/zinc/51/02/01/503510201.db2.gz QUSNGGLTQGBTOG-HGHGUNKESA-N 2 0 369.484 3.242 20 0 FGADRP C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000504130426 503528490 /nfs/dbraw/zinc/52/84/90/503528490.db2.gz ZMKMPMSXIUIUPO-RLLQIKCJSA-N 2 0 362.562 3.052 20 0 FGADRP CC[NH+](CC)CCCC1CC[NH+](Cc2ccc3c(c2)oc(=O)n3C)CC1 ZINC000512364549 503529348 /nfs/dbraw/zinc/52/93/48/503529348.db2.gz IESNGFMJQOGXTI-UHFFFAOYSA-N 2 0 359.514 3.466 20 0 FGADRP CCn1cc(C(=O)Nc2c[nH+]ccc2N2CCN(C)CC2)c2ccccc21 ZINC000516624965 503553818 /nfs/dbraw/zinc/55/38/18/503553818.db2.gz FKRCRZBXLBBVCT-UHFFFAOYSA-N 2 0 363.465 3.060 20 0 FGADRP O[C@H](C[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1)Cc1cccc(Cl)c1 ZINC000516645595 503559508 /nfs/dbraw/zinc/55/95/08/503559508.db2.gz IIVMHFFSKRQYAM-FPOVZHCZSA-N 2 0 358.913 3.355 20 0 FGADRP CC[NH+](CC)Cc1cccc(CNC(=O)NCCC[NH+]2CCC(C)CC2)c1 ZINC000500141805 503563917 /nfs/dbraw/zinc/56/39/17/503563917.db2.gz UISOKMXRFQBQAN-UHFFFAOYSA-N 2 0 374.573 3.450 20 0 FGADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N[C@H](C)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000500182980 503573082 /nfs/dbraw/zinc/57/30/82/503573082.db2.gz MIIOKXNGMYIKIJ-SFHLNBCPSA-N 2 0 374.573 3.345 20 0 FGADRP CC[N@@H+]1CCC[C@H](CNC(=O)N[C@@H](C)[C@@H](c2ccccc2C)[NH+](C)C)C1 ZINC000494604673 503573303 /nfs/dbraw/zinc/57/33/03/503573303.db2.gz YPUWKAVCJAKJLF-NSHGMRRFSA-N 2 0 360.546 3.017 20 0 FGADRP CC(C)[N@@H+]1[C@@H]2CC[C@H]1CN(C(=O)N[C@@H](C)[C@@H](c1ccccc1)[NH+](C)C)CC2 ZINC000508869736 503583216 /nfs/dbraw/zinc/58/32/16/503583216.db2.gz YWTQARDQAIWNFM-NRDMVMEKSA-N 2 0 372.557 3.335 20 0 FGADRP CC[N@@H+]1CC[C@H]([NH+](C)CCOc2ccccc2Br)[C@@H](C)C1 ZINC000508890672 503590121 /nfs/dbraw/zinc/59/01/21/503590121.db2.gz KCFWNYCJODIBAD-HOCLYGCPSA-N 2 0 355.320 3.490 20 0 FGADRP Cc1ccccc1[C@@H]([C@H](C)NC(=O)N1CCC([NH2+]C(C)C)CC1)[NH+](C)C ZINC000508899261 503593786 /nfs/dbraw/zinc/59/37/86/503593786.db2.gz TZROFRJODQVEQH-FXAWDEMLSA-N 2 0 360.546 3.158 20 0 FGADRP CC(C)(C)NC(=O)CC[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000512610833 503594554 /nfs/dbraw/zinc/59/45/54/503594554.db2.gz FJIKJRSQZXWOTG-HSALFYBXSA-N 2 0 357.542 3.182 20 0 FGADRP C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000512642489 503601261 /nfs/dbraw/zinc/60/12/61/503601261.db2.gz QDXYFIFXHXBJQO-CQASOGEESA-N 2 0 353.554 3.359 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2ccc3c(c2)NC(=O)CO3)CC1 ZINC000508961426 503608732 /nfs/dbraw/zinc/60/87/32/503608732.db2.gz BPSPFRSXJTZBLB-QGZVFWFLSA-N 2 0 371.525 3.494 20 0 FGADRP CC[N@H+](Cc1ccc(C(=O)N2CCc3ccccc3[C@@H]2C[NH3+])cc1)C1CC1 ZINC000516973007 503635936 /nfs/dbraw/zinc/63/59/36/503635936.db2.gz NONGDSUYFBVMRV-QFIPXVFZSA-N 2 0 363.505 3.369 20 0 FGADRP COCC[NH+](CCOC)C1CCN(C/C=C\c2ccc(Cl)cc2)CC1 ZINC000512852491 503645021 /nfs/dbraw/zinc/64/50/21/503645021.db2.gz VTEYPSKONULUEW-ARJAWSKDSA-N 2 0 366.933 3.412 20 0 FGADRP Cc1ccccc1[C@H]([NH2+]CCCC[NH+]1CCN(CCO)CC1)C1CCCC1 ZINC000495069640 503657746 /nfs/dbraw/zinc/65/77/46/503657746.db2.gz MOLOIFDHQQVXHP-HSZRJFAPSA-N 2 0 373.585 3.206 20 0 FGADRP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(C)c(OCC(=O)OC)c(C)c2)C[C@H]1C ZINC000536660018 503664988 /nfs/dbraw/zinc/66/49/88/503664988.db2.gz SHQPEUJZJKLZGG-MJGOQNOKSA-N 2 0 362.514 3.160 20 0 FGADRP O=C(NC[C@@H]1CC[N@@H+]1C1CCCCC1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000529721099 503680739 /nfs/dbraw/zinc/68/07/39/503680739.db2.gz YFSNWZJHPBPJPO-NRFANRHFSA-N 2 0 355.526 3.419 20 0 FGADRP Cc1nc2ccccc2n1C1CCN(C(=O)NC[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000517225733 503683563 /nfs/dbraw/zinc/68/35/63/503683563.db2.gz HIXZTFLKMFUBNT-SJORKVTESA-N 2 0 369.513 3.209 20 0 FGADRP C[C@H](C[NH2+]Cc1ccc(CN2CC[NH+](C)CC2)cc1)c1ccc(F)cc1 ZINC000527116702 503686383 /nfs/dbraw/zinc/68/63/83/503686383.db2.gz PLLWIZWCPPGNPB-GOSISDBHSA-N 2 0 355.501 3.466 20 0 FGADRP Cc1cc2c(cc1C)[C@H]([NH2+]C1CC[NH+]([C@H]3CCC[C@H]3O)CC1)CCCO2 ZINC000540159896 503693013 /nfs/dbraw/zinc/69/30/13/503693013.db2.gz ABVGNBMTTOWAIT-QHAWAJNXSA-N 2 0 358.526 3.485 20 0 FGADRP CC1CC[NH+](CCCCNC(=O)NCC[N@H+]2[C@H](C)CCC[C@@H]2C)CC1 ZINC000517393507 503735202 /nfs/dbraw/zinc/73/52/02/503735202.db2.gz REDIHXCPWZVCCU-KDURUIRLSA-N 2 0 352.567 3.061 20 0 FGADRP C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000517411256 503739390 /nfs/dbraw/zinc/73/93/90/503739390.db2.gz YKKCVFOBPNJZPG-ROUUACIJSA-N 2 0 352.567 3.203 20 0 FGADRP C[C@@H]1CCC[C@@](CNC(=O)NCCC[NH2+]C2CCCCC2)([NH+](C)C)C1 ZINC000517510667 503760926 /nfs/dbraw/zinc/76/09/26/503760926.db2.gz BFAPBTWRGYLDKC-YLJYHZDGSA-N 2 0 352.567 3.109 20 0 FGADRP C[C@@H]1C[NH+](CCOc2ccc(CC[NH2+]Cc3cscn3)cc2)C[C@H]1C ZINC000537022713 503780333 /nfs/dbraw/zinc/78/03/33/503780333.db2.gz VYZDZEFHEHSLRP-IAGOWNOFSA-N 2 0 359.539 3.442 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)NCC[N@H+]1CC=C(C)CC1)c1ccsc1 ZINC000546567751 503791810 /nfs/dbraw/zinc/79/18/10/503791810.db2.gz JGXQVVZCLXRGFO-SFHVURJKSA-N 2 0 364.559 3.082 20 0 FGADRP O=C(NC[C@@H]1CC[N@@H+]1C1CCCC1)c1cccc(C[NH+]2CCCCC2)c1 ZINC000530023352 503796120 /nfs/dbraw/zinc/79/61/20/503796120.db2.gz UXMVBVKZZAXKJH-NRFANRHFSA-N 2 0 355.526 3.419 20 0 FGADRP Cc1ccccc1[C@H]([C@@H](C)NC(=O)CCN(C)c1cc[nH+]cc1)[NH+](C)C ZINC000527492139 503810089 /nfs/dbraw/zinc/81/00/89/503810089.db2.gz JXVYZCYXNFHMBP-UTKZUKDTSA-N 2 0 354.498 3.024 20 0 FGADRP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@@H+](C)C3CCCCC3)CC2)cc1 ZINC000540560259 503817011 /nfs/dbraw/zinc/81/70/11/503817011.db2.gz QEXBQFFDPRZSNR-UHFFFAOYSA-N 2 0 357.542 3.294 20 0 FGADRP CCC[C@H]([NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1)c1cccnc1 ZINC000543593246 503823500 /nfs/dbraw/zinc/82/35/00/503823500.db2.gz MGOCUVKLRVHYAR-NRFANRHFSA-N 2 0 353.514 3.120 20 0 FGADRP c1cc(OCC[NH+]2CCCC2)ccc1CC[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000540609280 503832443 /nfs/dbraw/zinc/83/24/43/503832443.db2.gz PFYLFSQLDJZQCN-BHDDXSALSA-N 2 0 370.537 3.251 20 0 FGADRP C[C@@H]([NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1)c1cc2ccccc2s1 ZINC000517782680 503836157 /nfs/dbraw/zinc/83/61/57/503836157.db2.gz XCIBLKOWNWQYQF-CQSZACIVSA-N 2 0 357.523 3.295 20 0 FGADRP CC(C)COc1cccc(C[N@@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)c1 ZINC000537204482 503841253 /nfs/dbraw/zinc/84/12/53/503841253.db2.gz QIBNXCMGVSFVCZ-NRFANRHFSA-N 2 0 359.558 3.322 20 0 FGADRP COC(=O)c1cc2c(o1)c(OC)ccc2C[NH2+]CC1(C[NH+](C)C)CCCC1 ZINC000546763323 503869911 /nfs/dbraw/zinc/86/99/11/503869911.db2.gz HZITZDRJGQDKQD-UHFFFAOYSA-N 2 0 374.481 3.440 20 0 FGADRP CC1(C)[C@H]([NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)[C@H]2CCCO[C@H]21 ZINC000537294102 503871701 /nfs/dbraw/zinc/87/17/01/503871701.db2.gz UIOZRTHQOGCBHI-NJDAHSKKSA-N 2 0 358.526 3.454 20 0 FGADRP Cc1nc(C(C)C)sc1[C@H](C)[NH2+][C@@H](CC(C)C)C(=O)NCC[NH+](C)C ZINC000540744264 503877437 /nfs/dbraw/zinc/87/74/37/503877437.db2.gz DMPZGEXFYAFINK-HOCLYGCPSA-N 2 0 368.591 3.318 20 0 FGADRP CC(C)C[C@H]([NH2+][C@@H](C)c1ccc(C(F)(F)F)cc1)C(=O)NCC[NH+](C)C ZINC000540744378 503877596 /nfs/dbraw/zinc/87/75/96/503877596.db2.gz GGRVUFIMURVYAH-YOEHRIQHSA-N 2 0 373.463 3.449 20 0 FGADRP C[N@@H+]1CCC[C@H](C[NH2+]Cc2c[nH]nc2-c2ccc(Br)s2)C1 ZINC000527656714 503879844 /nfs/dbraw/zinc/87/98/44/503879844.db2.gz JDTYGKSQMZKDRT-LLVKDONJSA-N 2 0 369.332 3.332 20 0 FGADRP FC(F)(F)COc1cccc(C[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)c1 ZINC000530244166 503892251 /nfs/dbraw/zinc/89/22/51/503892251.db2.gz ZGYJWIMTCJQUOR-GOSISDBHSA-N 2 0 372.431 3.218 20 0 FGADRP Fc1cc(-c2ccncc2)ccc1C[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530247902 503893505 /nfs/dbraw/zinc/89/35/05/503893505.db2.gz CQHPJCUBAXHCOQ-OAQYLSRUSA-N 2 0 369.484 3.478 20 0 FGADRP C[C@H]1CCC[N@H+](CCCCNC(=O)[C@H]2CCC[NH+]2Cc2ccccc2)C1 ZINC000518031227 503893867 /nfs/dbraw/zinc/89/38/67/503893867.db2.gz YRTXGSKCOQNHMQ-PZJWPPBQSA-N 2 0 357.542 3.279 20 0 FGADRP CCCOc1cc(C[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)ccc1OC ZINC000530248118 503894526 /nfs/dbraw/zinc/89/45/26/503894526.db2.gz GLLAEYBWYYAERK-IBGZPJMESA-N 2 0 362.514 3.075 20 0 FGADRP COc1ccc(C[C@H](C)C[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)cc1F ZINC000530248308 503894555 /nfs/dbraw/zinc/89/45/55/503894555.db2.gz INMPFYHDONIETP-QFBILLFUSA-N 2 0 364.505 3.103 20 0 FGADRP Clc1cnc(C[NH2+]CC2CC[NH+](C3CC3)CC2)c(Br)c1 ZINC000527701685 503903139 /nfs/dbraw/zinc/90/31/39/503903139.db2.gz WEQHUTATSWKNTP-UHFFFAOYSA-N 2 0 358.711 3.462 20 0 FGADRP C[NH+]1CCN(CCC[NH2+][C@@H](Cc2cccnc2)c2ccc(Cl)cc2)CC1 ZINC000546869476 503909637 /nfs/dbraw/zinc/90/96/37/503909637.db2.gz ZIEYTIMTGWOGSX-NRFANRHFSA-N 2 0 372.944 3.246 20 0 FGADRP CC(C)c1nc2c([nH]1)C[C@@H](C(=O)N1CC[N@H+](C)CC13CCCCC3)CC2 ZINC000530286618 503910476 /nfs/dbraw/zinc/91/04/76/503910476.db2.gz IGWDWDXMAQELLN-INIZCTEOSA-N 2 0 358.530 3.115 20 0 FGADRP C[C@@H]1Cc2ccc(F)cc2[C@@H]1[NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000540991596 503968396 /nfs/dbraw/zinc/96/83/96/503968396.db2.gz HMXMOEKJIDKPHI-RBQRDFNRSA-N 2 0 354.469 3.415 20 0 FGADRP CC[NH+]1CCC(N(C)C(=O)[C@@H](C)[NH+]2CCC(Cc3ccccc3)CC2)CC1 ZINC000518399157 503973745 /nfs/dbraw/zinc/97/37/45/503973745.db2.gz ILCSKEKEUXIZOG-LJQANCHMSA-N 2 0 371.569 3.272 20 0 FGADRP CCCCN(C(=O)C[N@H+](C)[C@H]1CCSC1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000533872279 503975858 /nfs/dbraw/zinc/97/58/58/503975858.db2.gz KWKFXMUUVLLTLW-INIZCTEOSA-N 2 0 369.619 3.362 20 0 FGADRP CCC[NH+]1CCN(c2ccccc2C[N@@H+]2CC[C@@H](C3CCOCC3)C2)CC1 ZINC000537650144 503992112 /nfs/dbraw/zinc/99/21/12/503992112.db2.gz HPZPLDRHECNVQR-OAQYLSRUSA-N 2 0 371.569 3.467 20 0 FGADRP CC[N@H+](CCC1CCN(C(=O)NC2CC[NH+](CC)CC2)CC1)CC1CC1 ZINC000537818220 504052700 /nfs/dbraw/zinc/05/27/00/504052700.db2.gz UZYDABIILJXHMB-UHFFFAOYSA-N 2 0 364.578 3.014 20 0 FGADRP CC(C)[N@H+](C)CC1CC[NH+]([C@H]2CCN(c3cccc(Cl)c3)C2=O)CC1 ZINC000530699134 504057301 /nfs/dbraw/zinc/05/73/01/504057301.db2.gz UFVJCVYOYHDWTF-IBGZPJMESA-N 2 0 363.933 3.498 20 0 FGADRP Fc1ccc(C[NH2+]CCCN2CC[NH+](Cc3ccccc3)CC2)cc1F ZINC000518767820 504058105 /nfs/dbraw/zinc/05/81/05/504058105.db2.gz TTWNOVSWQNHUCY-UHFFFAOYSA-N 2 0 359.464 3.262 20 0 FGADRP Cc1ccncc1[C@H](C)[NH2+]CCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000537886774 504074763 /nfs/dbraw/zinc/07/47/63/504074763.db2.gz REUNXGJNCFQXNA-FQEVSTJZSA-N 2 0 352.526 3.249 20 0 FGADRP C[C@@H](CCNC(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)[NH+]1CCCCC1 ZINC000544289592 504075738 /nfs/dbraw/zinc/07/57/38/504075738.db2.gz SIUFGXAARWIIKF-FPOVZHCZSA-N 2 0 372.557 3.215 20 0 FGADRP C[C@H](C(=O)NC1CCCC1)[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000534230239 504077472 /nfs/dbraw/zinc/07/74/72/504077472.db2.gz SYZQMZRXPLDRDZ-LJQANCHMSA-N 2 0 369.553 3.422 20 0 FGADRP C[C@H](CNC(=O)NC1CC[NH+](CC2CCCC2)CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000534282645 504094730 /nfs/dbraw/zinc/09/47/30/504094730.db2.gz LPSSWWKOFRGIMM-QZTJIDSGSA-N 2 0 364.578 3.061 20 0 FGADRP C[C@@H]1[C@H](C)N(C(=O)Nc2ccc(OCC[NH+]3CCCCC3)cc2)CC[N@H+]1C ZINC000544605287 504188831 /nfs/dbraw/zinc/18/88/31/504188831.db2.gz JTURZJYRSNXYJB-MSOLQXFVSA-N 2 0 374.529 3.108 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N(C)CCC[NH+](C)C)cc1 ZINC000544622508 504195502 /nfs/dbraw/zinc/19/55/02/504195502.db2.gz FISXLEZIHRZDGX-GOSISDBHSA-N 2 0 360.546 3.154 20 0 FGADRP CCc1ccc([C@@H](CNC(=O)N(C)[C@H](C)C2CC[NH+](C)CC2)[NH+](C)C)cc1 ZINC000544634768 504198917 /nfs/dbraw/zinc/19/89/17/504198917.db2.gz VFWHHZZMUUIINE-DYESRHJHSA-N 2 0 374.573 3.223 20 0 FGADRP C[N@H+](CCC(=O)Nc1cccc(C[NH+]2CCC(O)CC2)c1)C1CCCCC1 ZINC000547733000 504203157 /nfs/dbraw/zinc/20/31/57/504203157.db2.gz GMWGGOUGIVOEKY-UHFFFAOYSA-N 2 0 373.541 3.236 20 0 FGADRP C[NH+](C)CCC(=O)Nc1ccc(NC(=O)CC[N@H+](C)C2CCCCC2)cc1 ZINC000547733417 504204056 /nfs/dbraw/zinc/20/40/56/504204056.db2.gz WOGSJCKMFQWIPX-UHFFFAOYSA-N 2 0 374.529 3.170 20 0 FGADRP C[C@@H]1CC[N@H+](CCOc2ccc(NC(=O)c3ccc4c[nH+]cn4c3)cc2)C1 ZINC000519416632 504217089 /nfs/dbraw/zinc/21/70/89/504217089.db2.gz KMUHXSXNYYSUBJ-MRXNPFEDSA-N 2 0 364.449 3.307 20 0 FGADRP CCC[C@H]1CN(C(=O)N[C@H](C)CC[NH+](C)C)CC[N@@H+]1Cc1ccccc1 ZINC000538388250 504230558 /nfs/dbraw/zinc/23/05/58/504230558.db2.gz XGUHXQCVOHOJKZ-QUCCMNQESA-N 2 0 360.546 3.023 20 0 FGADRP CCC[C@H]1CN(C(=O)N[C@@H](C)CC[NH+](C)C)CC[N@@H+]1Cc1ccccc1 ZINC000538388248 504230780 /nfs/dbraw/zinc/23/07/80/504230780.db2.gz XGUHXQCVOHOJKZ-ICSRJNTNSA-N 2 0 360.546 3.023 20 0 FGADRP CCC1(CC)[C@H]([NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)[C@H](C)[C@H]1OC ZINC000538407697 504238089 /nfs/dbraw/zinc/23/80/89/504238089.db2.gz KOFJKHZZFCKJDJ-ABHMUUKNSA-N 2 0 352.563 3.184 20 0 FGADRP C[NH+](C)CC1(CNC(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)CCCC1 ZINC000544799506 504262643 /nfs/dbraw/zinc/26/26/43/504262643.db2.gz LHIDVSXJEUANIW-FQEVSTJZSA-N 2 0 372.557 3.245 20 0 FGADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1sccc1C[NH+](C)C ZINC000519602057 504269390 /nfs/dbraw/zinc/26/93/90/504269390.db2.gz JMZHRUBHAUJWGN-LPHOPBHVSA-N 2 0 371.550 3.450 20 0 FGADRP CC(C)C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000528659695 504317809 /nfs/dbraw/zinc/31/78/09/504317809.db2.gz YEWDPINSTYNWHY-BDKRGJGYSA-N 2 0 371.569 3.380 20 0 FGADRP CCC[NH+]1CCN(c2ccccc2CNCCC[NH+]2CCCCC2)CC1 ZINC000531532247 504336194 /nfs/dbraw/zinc/33/61/94/504336194.db2.gz QZTCOYLPVDIAHU-UHFFFAOYSA-N 2 0 358.574 3.184 20 0 FGADRP CC[NH+](CC)CCCC1CCN(C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000542081188 504357535 /nfs/dbraw/zinc/35/75/35/504357535.db2.gz UOHBVTDWPHOULA-UHFFFAOYSA-N 2 0 366.594 3.406 20 0 FGADRP CC1(C)[C@H](c2cccc(F)c2)CC[N@@H+]1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000528764072 504370344 /nfs/dbraw/zinc/37/03/44/504370344.db2.gz CKYFQTAKXKMJDV-FQEVSTJZSA-N 2 0 373.516 3.137 20 0 FGADRP C[C@H]1O[C@@H](C)[C@H](C)[C@H]1[NH2+]Cc1ccccc1C[NH2+][C@@H]1[C@H](C)O[C@H](C)[C@H]1C ZINC000528767398 504371714 /nfs/dbraw/zinc/37/17/14/504371714.db2.gz TYWPFDHAHQILCF-TXHYJNHTSA-N 2 0 360.542 3.490 20 0 FGADRP Cc1cc(C)c(CNC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)c(C)c1 ZINC000519922781 504384065 /nfs/dbraw/zinc/38/40/65/504384065.db2.gz ZWRVRMHHHMXDIO-UHFFFAOYSA-N 2 0 362.562 3.027 20 0 FGADRP CC[N@H+](C)Cc1cccc(CNC(=O)NC[C@@]2([NH+](C)C)CCC[C@H](C)C2)c1 ZINC000519937782 504388668 /nfs/dbraw/zinc/38/86/68/504388668.db2.gz PVKUMEIEZYLLFW-PGRDOPGGSA-N 2 0 374.573 3.448 20 0 FGADRP C[C@@H]([NH2+]CCCC[NH+]1CCN(C)CC1)c1ccc(-c2ccncc2)cc1 ZINC000531686894 504393603 /nfs/dbraw/zinc/39/36/03/504393603.db2.gz MGWJPCSGKVMZNQ-LJQANCHMSA-N 2 0 352.526 3.427 20 0 FGADRP CC[N@H+](CCC1CC[NH+](Cc2ccc3c(c2)nnn3C)CC1)CC1CC1 ZINC000538857694 504394610 /nfs/dbraw/zinc/39/46/10/504394610.db2.gz UVWNENMRMXQJAB-UHFFFAOYSA-N 2 0 355.530 3.302 20 0 FGADRP COc1cc(C)ccc1[C@H](C)[NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000531708450 504399146 /nfs/dbraw/zinc/39/91/46/504399146.db2.gz QZYZPCAAHSPVAS-IBGZPJMESA-N 2 0 368.525 3.262 20 0 FGADRP COc1ccc(-c2ccccc2)cc1C[NH2+]C[C@H](C)CN1CC[NH+](C)CC1 ZINC000531789209 504424499 /nfs/dbraw/zinc/42/44/99/504424499.db2.gz CURPETAANPMRMB-IBGZPJMESA-N 2 0 367.537 3.335 20 0 FGADRP Cc1cccc(C[N@@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)CC(C)C)c1 ZINC000520173166 504425814 /nfs/dbraw/zinc/42/58/14/504425814.db2.gz QSESQKBPVGMVSC-UHFFFAOYSA-N 2 0 357.542 3.196 20 0 FGADRP CC[N@H+](C)Cc1cccc(CNC(=O)NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)c1 ZINC000520280398 504453279 /nfs/dbraw/zinc/45/32/79/504453279.db2.gz GKGGTYOFNLJFJW-OALUTQOASA-N 2 0 374.573 3.306 20 0 FGADRP C[C@@H]([NH2+]CCc1cn2ccccc2n1)c1cccc(N2CCOCC2)c1 ZINC000531942750 504481769 /nfs/dbraw/zinc/48/17/69/504481769.db2.gz KUUKCPIUZIMECZ-QGZVFWFLSA-N 2 0 350.466 3.064 20 0 FGADRP C[C@@H](CCNC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCCCC1 ZINC000542450689 504493978 /nfs/dbraw/zinc/49/39/78/504493978.db2.gz IEWXRZYOQVAHIX-PZJWPPBQSA-N 2 0 372.557 3.167 20 0 FGADRP Fc1ccc([C@@H]([NH2+]CCCN2CCN(c3cc[nH+]cc3)CC2)C2CC2)cc1 ZINC000539200988 504496336 /nfs/dbraw/zinc/49/63/36/504496336.db2.gz JCLOUFRCROTDTD-QFIPXVFZSA-N 2 0 368.500 3.474 20 0 FGADRP C[C@@H]1C[NH+](CCOc2ccc(CC[NH2+]Cc3cncs3)cc2)C[C@H]1C ZINC000539223687 504501879 /nfs/dbraw/zinc/50/18/79/504501879.db2.gz JJIVQARNFWFAPO-IAGOWNOFSA-N 2 0 359.539 3.442 20 0 FGADRP C[C@H]1CCCN1C(=O)CC[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000535678599 504504789 /nfs/dbraw/zinc/50/47/89/504504789.db2.gz CWELVUGEGRGHOG-FQEVSTJZSA-N 2 0 369.553 3.376 20 0 FGADRP CC(C)[N@@H+]1CC[C@H](CNC(=O)N2C[C@H](C)[NH+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000535749654 504529808 /nfs/dbraw/zinc/52/98/08/504529808.db2.gz DGNYETDWKVSMPM-IRFCIJBXSA-N 2 0 372.557 3.021 20 0 FGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H](C[C@H]2CCOC2)c2ccccc2)CC1 ZINC000535838857 504562165 /nfs/dbraw/zinc/56/21/65/504562165.db2.gz HKHJDGAFIUIMMU-SJBKTWHCSA-N 2 0 359.558 3.018 20 0 FGADRP C[C@H]([NH2+]Cc1cccc(OCC[NH+](C)C)c1)c1ccc2c(c1)CCC(=O)N2 ZINC000532210616 504573768 /nfs/dbraw/zinc/57/37/68/504573768.db2.gz OVVXZUFNVNBJGR-INIZCTEOSA-N 2 0 367.493 3.363 20 0 FGADRP CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(N3CC[NH+](CC)CC3)nc2)C1(CC)CC ZINC000539498793 504591152 /nfs/dbraw/zinc/59/11/52/504591152.db2.gz YPKGUMLJKCFRTR-VQTJNVASSA-N 2 0 374.573 3.297 20 0 FGADRP COC(=O)c1occc1C[NH2+]CC[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000539528800 504599365 /nfs/dbraw/zinc/59/93/65/504599365.db2.gz RHGUQWBLNGANOE-FUHWJXTLSA-N 2 0 356.466 3.457 20 0 FGADRP C[C@H](CNC(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)[NH+]1CCC(C)CC1 ZINC000520877056 504601479 /nfs/dbraw/zinc/60/14/79/504601479.db2.gz HUKQGJLROPCPDJ-TZIWHRDSSA-N 2 0 372.557 3.071 20 0 FGADRP C[NH+]1CCC(CCNC(=O)NC[C@@H]2CCC[N@@H+]2CC2CCCCC2)CC1 ZINC000520987081 504623696 /nfs/dbraw/zinc/62/36/96/504623696.db2.gz UZMCAJPWTIVPKM-FQEVSTJZSA-N 2 0 364.578 3.062 20 0 FGADRP C[C@H]1[C@H](NC(=O)Nc2ccc3c(c2)C[NH2+]CC3)CC[N@@H+]1Cc1ccccc1 ZINC000521001352 504627013 /nfs/dbraw/zinc/62/70/13/504627013.db2.gz QZOBISWQMAIEOO-HRAATJIYSA-N 2 0 364.493 3.117 20 0 FGADRP CC(C)(C)N(Cc1ccccc1)C(=O)C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000521045275 504635661 /nfs/dbraw/zinc/63/56/61/504635661.db2.gz MFSRSOXEAYFZKP-FQEVSTJZSA-N 2 0 357.542 3.135 20 0 FGADRP C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)[NH2+][C@H]1CCCc2sccc21 ZINC000539691596 504653478 /nfs/dbraw/zinc/65/34/78/504653478.db2.gz KBFAEFAIGYVCSC-OALUTQOASA-N 2 0 371.550 3.004 20 0 FGADRP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@@H]1CCC[NH+]1Cc1ccccc1 ZINC000521139641 504659366 /nfs/dbraw/zinc/65/93/66/504659366.db2.gz HZTXNLUZSXPVQV-HDAAZOAOSA-N 2 0 357.542 3.134 20 0 FGADRP CN1CC[NH+](CCCC[NH2+][C@@H]2CCc3ccc(Br)cc32)CC1 ZINC000549043095 504665643 /nfs/dbraw/zinc/66/56/43/504665643.db2.gz XZAGPQCCVIMPEH-GOSISDBHSA-N 2 0 366.347 3.054 20 0 FGADRP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000549087355 504680143 /nfs/dbraw/zinc/68/01/43/504680143.db2.gz ZEWXKSSQRSZJAC-JOCHJYFZSA-N 2 0 365.521 3.185 20 0 FGADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCC[NH+](C(C)(C)C)CC1 ZINC000521309022 504705845 /nfs/dbraw/zinc/70/58/45/504705845.db2.gz HLUCTBKMMUMBRB-GOSISDBHSA-N 2 0 352.567 3.157 20 0 FGADRP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NCC(=O)NC(C1CC1)C1CC1 ZINC000549166734 504708846 /nfs/dbraw/zinc/70/88/46/504708846.db2.gz VOMYGRSXELFASU-FQEVSTJZSA-N 2 0 369.553 3.182 20 0 FGADRP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]CCc2ccc(O)cc2)CC1 ZINC000539952312 504747066 /nfs/dbraw/zinc/74/70/66/504747066.db2.gz SUMQHMYZRQHGNI-UHFFFAOYSA-N 2 0 359.901 3.130 20 0 FGADRP CC(C)[N@H+](C)CC1CC[NH+]([C@@H]2CCCN(c3ccccc3F)C2=O)CC1 ZINC000536535644 504756586 /nfs/dbraw/zinc/75/65/86/504756586.db2.gz SMOOQLUBQSUOCA-HXUWFJFHSA-N 2 0 361.505 3.373 20 0 FGADRP C[NH+](C)[C@@H](CNC(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+])c1ccc(Cl)cc1 ZINC000521619599 504764990 /nfs/dbraw/zinc/76/49/90/504764990.db2.gz DOHDHLANAURLMJ-DLLQETOTSA-N 2 0 363.933 3.213 20 0 FGADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2ccc(C)cc2-c2ccnn2C)C1 ZINC000559069551 504773305 /nfs/dbraw/zinc/77/33/05/504773305.db2.gz OWFZLDJAPCTZGZ-FQEVSTJZSA-N 2 0 370.541 3.328 20 0 FGADRP COc1ccc(F)cc1C[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000559132029 504787488 /nfs/dbraw/zinc/78/74/88/504787488.db2.gz LQBBXBMIWWMSMH-IYBDPMFKSA-N 2 0 350.478 3.156 20 0 FGADRP COc1ccc(F)cc1CN1CCN(C[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC000556122830 504801058 /nfs/dbraw/zinc/80/10/58/504801058.db2.gz GSRQXGCETOQTHH-HXUWFJFHSA-N 2 0 363.521 3.215 20 0 FGADRP Cc1cc(CN2CCN(c3ncc[nH]3)CC2)nc(-c2ccc(Cl)cc2)n1 ZINC000562383125 504801660 /nfs/dbraw/zinc/80/16/60/504801660.db2.gz AHVWEOISZSGKLF-UHFFFAOYSA-N 2 0 368.872 3.151 20 0 FGADRP Cn1ccnc1[C@H]1CC[N@H+](C[C@H](O)Cn2c3ccccc3c3ccccc32)C1 ZINC000565154338 504809170 /nfs/dbraw/zinc/80/91/70/504809170.db2.gz APYMPMZREHIDQE-ROUUACIJSA-N 2 0 374.488 3.378 20 0 FGADRP C[C@H]([NH2+]Cc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1)C(C)(C)n1cncn1 ZINC000556234658 504825050 /nfs/dbraw/zinc/82/50/50/504825050.db2.gz WLKZSPBRQKQNDA-MSOLQXFVSA-N 2 0 355.530 3.423 20 0 FGADRP CC[C@H]1C[NH+](Cc2cncc(C[N@@H+]3CCCO[C@@H](CC)C3)c2)CCCO1 ZINC000556271405 504833615 /nfs/dbraw/zinc/83/36/15/504833615.db2.gz LDMLLTSLBFIHER-SFTDATJTSA-N 2 0 361.530 3.083 20 0 FGADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]C1(Cc2ccccc2)CCOCC1 ZINC000562523457 504846466 /nfs/dbraw/zinc/84/64/66/504846466.db2.gz FJAMARJNXJINOR-UHFFFAOYSA-N 2 0 362.477 3.457 20 0 FGADRP CC(C)(C)[C@H](CO)[NH2+]Cc1cc(Cl)cc(C[NH2+][C@H](CO)C(C)(C)C)c1 ZINC000562534332 504850448 /nfs/dbraw/zinc/85/04/48/504850448.db2.gz GDKBINDRFSNFQF-HDICACEKSA-N 2 0 370.965 3.333 20 0 FGADRP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000553326422 504884354 /nfs/dbraw/zinc/88/43/54/504884354.db2.gz DHGNYUBCWPDWTC-FPOVZHCZSA-N 2 0 357.542 3.279 20 0 FGADRP CCC(C)(C)[NH2+][C@H](C)C(=O)NC[C@H](c1ccc(OC(C)C)cc1)[NH+](C)C ZINC000565559716 504923037 /nfs/dbraw/zinc/92/30/37/504923037.db2.gz RRIJSDSNQPVBDI-VQIMIIECSA-N 2 0 363.546 3.359 20 0 FGADRP C[NH+](C)CCCCC(=O)NC[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000556663033 504932441 /nfs/dbraw/zinc/93/24/41/504932441.db2.gz ZUERJTSNMFHTPD-DNVCBOLYSA-N 2 0 369.912 3.320 20 0 FGADRP Cc1nn(-c2ccccc2)c(C)c1C[NH+]1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000562751898 504933206 /nfs/dbraw/zinc/93/32/06/504933206.db2.gz UFUMNXHGWAFGGZ-SIKLNZKXSA-N 2 0 368.525 3.207 20 0 FGADRP Cc1nn(-c2ccccc2)c(C)c1C[NH+]1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000562751897 504933511 /nfs/dbraw/zinc/93/35/11/504933511.db2.gz UFUMNXHGWAFGGZ-KNQAVFIVSA-N 2 0 368.525 3.207 20 0 FGADRP Cc1nc2cc(NC(=O)CC[N@@H+]3CCCC[C@H]3C)ccc2n1[C@H](C)CO ZINC000556686529 504940704 /nfs/dbraw/zinc/94/07/04/504940704.db2.gz AWXNOHRNMOAFCC-HUUCEWRRSA-N 2 0 358.486 3.101 20 0 FGADRP c1ccc(C[NH+]2CC[C@@H]3C[N@@H+](CCCO[C@@H]4CCCCO4)C[C@H]3C2)cc1 ZINC000565686133 504958183 /nfs/dbraw/zinc/95/81/83/504958183.db2.gz SLQMTUWQLFYXIH-BHIFYINESA-N 2 0 358.526 3.374 20 0 FGADRP COc1ccc(Cl)cc1NC(=O)CC[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000562837662 504960288 /nfs/dbraw/zinc/96/02/88/504960288.db2.gz VCSNEAKBEBEAHY-INIZCTEOSA-N 2 0 365.905 3.141 20 0 FGADRP O[C@@H](Cc1ccc(F)cc1)C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000550097518 504966555 /nfs/dbraw/zinc/96/65/55/504966555.db2.gz RMVUJIOZMXLRAM-GOTSBHOMSA-N 2 0 368.496 3.327 20 0 FGADRP CN1CCC([NH+]2CCC(CC[N@H+](C)Cc3ccc4c(n3)CCC4)CC2)CC1 ZINC000556773645 504970557 /nfs/dbraw/zinc/97/05/57/504970557.db2.gz FKTBJFMWKRAPGJ-UHFFFAOYSA-N 2 0 370.585 3.198 20 0 FGADRP CC[C@H](C(=O)N1CC[NH+](C2CCC2)C[C@@H](C)C1)[N@H+](C)Cc1ccccc1 ZINC000565733677 504971405 /nfs/dbraw/zinc/97/14/05/504971405.db2.gz INOOTSYYRZSQQK-WIYYLYMNSA-N 2 0 357.542 3.230 20 0 FGADRP CCC(CC)(CNC(=O)N1CCC[C@H](C[NH3+])C1)[NH2+][C@@H](C)c1ccccc1 ZINC000565765993 504981891 /nfs/dbraw/zinc/98/18/91/504981891.db2.gz XYIVVGVDKXFQTR-ZWKOTPCHSA-N 2 0 360.546 3.276 20 0 FGADRP C[C@@H](C(=O)N1CCN(c2cc[nH+]c3ccccc32)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000556832976 504988862 /nfs/dbraw/zinc/98/88/62/504988862.db2.gz NYUSEJZVEBFLCZ-KURKYZTESA-N 2 0 366.509 3.145 20 0 FGADRP CN1CC[NH+](CCCC[NH2+]C2CCC([N@H+](C)Cc3ccccc3)CC2)CC1 ZINC000556858311 504997228 /nfs/dbraw/zinc/99/72/28/504997228.db2.gz CKMBWJPOFIWQRI-UHFFFAOYSA-N 3 0 372.601 3.047 20 0 FGADRP CC[C@H](C(=O)N1CC[NH+]([C@@H]2C[C@H]2C)C[C@H](C)C1)[N@H+](C)Cc1ccccc1 ZINC000553768554 505004141 /nfs/dbraw/zinc/00/41/41/505004141.db2.gz PWQBPEGZYITJLP-UYWIDEMCSA-N 2 0 357.542 3.086 20 0 FGADRP O=C(CC[NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1)Nc1ccccc1 ZINC000562984397 505009348 /nfs/dbraw/zinc/00/93/48/505009348.db2.gz KGDPSMORIFPDIY-HXUWFJFHSA-N 2 0 351.494 3.169 20 0 FGADRP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]CCC(=O)Nc2cccc(C(F)(F)F)c2)C1 ZINC000562988898 505011710 /nfs/dbraw/zinc/01/17/10/505011710.db2.gz CQSSNBIBSJZRBS-GOEBONIOSA-N 2 0 357.420 3.496 20 0 FGADRP C[C@@H](OC[C@H](O)C[NH2+]Cc1ccc2c[nH+]cn2c1)c1ccc(Cl)cc1 ZINC000562999196 505014741 /nfs/dbraw/zinc/01/47/41/505014741.db2.gz ZELXZVZMIZUEPW-AUUYWEPGSA-N 2 0 359.857 3.216 20 0 FGADRP [NH3+][C@H]1CCCO[C@@H]1C1CC[NH+](Cc2cnn(-c3ccc(Cl)cc3)c2)CC1 ZINC000556963979 505032344 /nfs/dbraw/zinc/03/23/44/505032344.db2.gz UEZGDXXTYMLKHQ-VQTJNVASSA-N 2 0 374.916 3.244 20 0 FGADRP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](Cc2cnn(-c3ccc(Cl)cc3)c2)CC1 ZINC000556963978 505032534 /nfs/dbraw/zinc/03/25/34/505032534.db2.gz UEZGDXXTYMLKHQ-UXHICEINSA-N 2 0 374.916 3.244 20 0 FGADRP C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)c2ccccc2CC2CC[NH2+]CC2)C1 ZINC000565954028 505036934 /nfs/dbraw/zinc/03/69/34/505036934.db2.gz LIPODVXIMLCOGK-HXUWFJFHSA-N 2 0 369.553 3.033 20 0 FGADRP COc1cc(C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)ccc1OCC(F)(F)F ZINC000563135152 505057790 /nfs/dbraw/zinc/05/77/90/505057790.db2.gz HTFGTUXNZVENKK-JKSUJKDBSA-N 2 0 372.431 3.458 20 0 FGADRP [NH3+]CCC1CCN(C(=O)NC[C@H]2CCCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000566073212 505072757 /nfs/dbraw/zinc/07/27/57/505072757.db2.gz JRCXNSBDTBWASN-OAQYLSRUSA-N 2 0 372.557 3.059 20 0 FGADRP COC[C@@H]([NH2+]CCCN1CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000554049112 505075893 /nfs/dbraw/zinc/07/58/93/505075893.db2.gz IQTBHZPVVFIKPC-HSZRJFAPSA-N 2 0 367.537 3.172 20 0 FGADRP COCCN(C)CC[C@H]([NH2+][C@H]1CCO[C@@H](C(F)(F)F)C1)c1ccccc1 ZINC000554069450 505080655 /nfs/dbraw/zinc/08/06/55/505080655.db2.gz RUZFUOTZCDCHEF-OKZBNKHCSA-N 2 0 374.447 3.396 20 0 FGADRP CN(C)C(=O)c1cccc(CC[NH2+][C@H]2CCN(C)[C@@H](c3ccccc3)C2)c1 ZINC000550664867 505080995 /nfs/dbraw/zinc/08/09/95/505080995.db2.gz AAQBAOJFDHQHRF-FCHUYYIVSA-N 2 0 365.521 3.356 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)[C@H]1CC[NH2+][C@H]1C)c1ccc(C(F)(F)F)cc1 ZINC000566163459 505101542 /nfs/dbraw/zinc/10/15/42/505101542.db2.gz GMWYXZVPTCGMNJ-RRQGHBQHSA-N 2 0 371.447 3.203 20 0 FGADRP O[C@H]1C[C@@H](CNC2CC[NH+](C3CCCCC3)CC2)[N@H+](Cc2ccccc2)C1 ZINC000557272592 505102497 /nfs/dbraw/zinc/10/24/97/505102497.db2.gz BHZVYALTZFRRTD-GOTSBHOMSA-N 2 0 371.569 3.009 20 0 FGADRP [NH3+][C@H](CC1CCCCC1)C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000566170687 505103514 /nfs/dbraw/zinc/10/35/14/505103514.db2.gz XQAFFPDYISTHGT-PKOBYXMFSA-N 2 0 363.571 3.374 20 0 FGADRP CC[C@H]([NH2+]CC1(SC)CC[NH+](C)CC1)c1ccc(C(=O)OC)cc1 ZINC000550817005 505108772 /nfs/dbraw/zinc/10/87/72/505108772.db2.gz FQWQVFURXJFEQV-KRWDZBQOSA-N 2 0 350.528 3.341 20 0 FGADRP CC[NH+](CC)CCC[C@H](C)NC(=O)[C@@H]1C[NH2+]C[C@H]1c1ccc(Cl)cc1 ZINC000563348582 505117134 /nfs/dbraw/zinc/11/71/34/505117134.db2.gz CJNVYNKSRQYVRJ-ZYSHUDEJSA-N 2 0 365.949 3.270 20 0 FGADRP CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)N1CCC[N@@H+](C(C)(C)C)CC1 ZINC000560546640 505121706 /nfs/dbraw/zinc/12/17/06/505121706.db2.gz JFGBKPGVTUXHDY-SFHVURJKSA-N 2 0 352.567 3.013 20 0 FGADRP c1cc2c(c([C@@H]3CCC[N@H+]3Cc3ccc4c(c3)C[NH2+]CC4)c1)OCCO2 ZINC000566351795 505150372 /nfs/dbraw/zinc/15/03/72/505150372.db2.gz DKRXFKKOYAAFAG-FQEVSTJZSA-N 2 0 350.462 3.441 20 0 FGADRP C[C@H](NC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)[C@@H](c1ccccc1)[NH+](C)C ZINC000554449843 505176373 /nfs/dbraw/zinc/17/63/73/505176373.db2.gz PVBUOHLBPOEHJW-YYWHXJBOSA-N 2 0 368.525 3.280 20 0 FGADRP C[C@@H](CNC(=O)NCc1ccccc1C[NH+]1CCC(C)CC1)[N@H+](C)C1CC1 ZINC000560754413 505178656 /nfs/dbraw/zinc/17/86/56/505178656.db2.gz ADUZTHNSGVCHPI-SFHVURJKSA-N 2 0 372.557 3.200 20 0 FGADRP [NH3+]C1(CNC(=O)c2cccc(C3CC3)c2)CC[NH+](Cc2ccccc2)CC1 ZINC000566471128 505184498 /nfs/dbraw/zinc/18/44/98/505184498.db2.gz NRWRLIQSOFVJLJ-UHFFFAOYSA-N 2 0 363.505 3.287 20 0 FGADRP Cc1cccc(N2CCN(CCC[NH2+][C@@H](C)c3ccncc3F)CC2)c1 ZINC000551267376 505189108 /nfs/dbraw/zinc/18/91/08/505189108.db2.gz COXHYBOUIQXBLN-SFHVURJKSA-N 2 0 356.489 3.392 20 0 FGADRP Cc1ccc(Cl)c(OC[C@@H](O)C[NH2+]C[C@H]2CCC[N@@H+](CC(C)C)C2)c1 ZINC000563618651 505193666 /nfs/dbraw/zinc/19/36/66/505193666.db2.gz ZOFZWFWICAFZME-MSOLQXFVSA-N 2 0 368.949 3.346 20 0 FGADRP C[N@@H+]1CC[C@H]([NH2+]C[C@H](CO)Cc2c(F)cccc2Cl)[C@H]2CCC[C@H]21 ZINC000563827617 505250698 /nfs/dbraw/zinc/25/06/98/505250698.db2.gz DTSYLZLVYXKSQW-TUFGIGEDSA-N 2 0 354.897 3.093 20 0 FGADRP Cc1nc2ccccn2c1C[NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000551616345 505267496 /nfs/dbraw/zinc/26/74/96/505267496.db2.gz YMSKERAJGQNJFA-UHFFFAOYSA-N 2 0 364.493 3.406 20 0 FGADRP CSc1ccc([C@H](CNC(=O)CC[N@@H+]2CCCC[C@H]2C)[NH+](C)C)cc1 ZINC000566937246 505315760 /nfs/dbraw/zinc/31/57/60/505315760.db2.gz SAXPTKFUKMHCBR-APWZRJJASA-N 2 0 363.571 3.392 20 0 FGADRP CC[C@@H]([NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1)C1(C(=O)OC)CCC1 ZINC000551818551 505318328 /nfs/dbraw/zinc/31/83/28/505318328.db2.gz WEHDPUSUXOIYNY-HXUWFJFHSA-N 2 0 374.525 3.371 20 0 FGADRP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCN(c3ccccc3OC(F)F)C2)[C@H]2CCC[C@@H]21 ZINC000552044159 505380029 /nfs/dbraw/zinc/38/00/29/505380029.db2.gz SLDLZTPXPDEWTB-NCOADZHNSA-N 2 0 365.468 3.329 20 0 FGADRP COc1ccc(CC[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)cc1OC(F)F ZINC000552044760 505380287 /nfs/dbraw/zinc/38/02/87/505380287.db2.gz LYUNGIDWOIJOAR-OAGGEKHMSA-N 2 0 354.441 3.302 20 0 FGADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]Cc1ccc(OCC(F)(F)F)nc1 ZINC000567159410 505380994 /nfs/dbraw/zinc/38/09/94/505380994.db2.gz YEHIEEBHAFWQBM-LLVKDONJSA-N 2 0 354.376 3.036 20 0 FGADRP CC(C)COc1cccc(C[NH+]2CCC(C[NH+]3CCN(C)CC3)CC2)c1 ZINC000564319559 505382504 /nfs/dbraw/zinc/38/25/04/505382504.db2.gz XAUWQYVKDVHWOF-UHFFFAOYSA-N 2 0 359.558 3.181 20 0 FGADRP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CSCCN2Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000552053980 505382964 /nfs/dbraw/zinc/38/29/64/505382964.db2.gz DMJFXZJOBZTTLU-IVAOSVALSA-N 2 0 359.583 3.066 20 0 FGADRP C[NH2+][C@H](CC(C)(C)C)C(=O)Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1 ZINC000564324488 505384846 /nfs/dbraw/zinc/38/48/46/505384846.db2.gz HXMOTKWUKZZHCU-HXUWFJFHSA-N 2 0 372.557 3.181 20 0 FGADRP C[N@@H+]1CC[C@H](NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)[C@@H]2CCC[C@@H]21 ZINC000552063727 505386740 /nfs/dbraw/zinc/38/67/40/505386740.db2.gz KMYHRXXUTPZXLN-CNFALQKSSA-N 2 0 359.480 3.254 20 0 FGADRP CC(C)C1CCC([NH+]2CCN(C(=O)C3CC[NH+](C4CC4)CC3)CC2)CC1 ZINC000555278594 505397188 /nfs/dbraw/zinc/39/71/88/505397188.db2.gz AVJXWIWZJKJYQX-UHFFFAOYSA-N 2 0 361.574 3.220 20 0 FGADRP C[C@H](C(=O)N1[C@@H]2CC[C@H]1CC[N@@H+](C)C2)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000564382843 505401220 /nfs/dbraw/zinc/40/12/20/505401220.db2.gz YYEHJCJKUBTTQY-BVYCBKJFSA-N 2 0 369.553 3.025 20 0 FGADRP C/C(=C\c1ccccc1OC(F)F)C[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000558483043 505404834 /nfs/dbraw/zinc/40/48/34/505404834.db2.gz UUKHISVMZZSUFU-JQIJEIRASA-N 2 0 367.484 3.307 20 0 FGADRP CC[C@H](C(=O)N1CCC[C@@H]1C[NH+]1CCCCC1)[N@H+](C)Cc1ccccc1 ZINC000564447596 505422411 /nfs/dbraw/zinc/42/24/11/505422411.db2.gz IZNMDYUWFRPTGD-NHCUHLMSSA-N 2 0 357.542 3.374 20 0 FGADRP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCN(Cc3c(F)cccc3F)C2)[C@H]2CCC[C@H]21 ZINC000552244949 505439933 /nfs/dbraw/zinc/43/99/33/505439933.db2.gz OCVLGVUCIWIDAZ-WWEWDKITSA-N 2 0 363.496 3.392 20 0 FGADRP Cc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)c(-n2cc(Cl)cn2)n1 ZINC000552284323 505450171 /nfs/dbraw/zinc/45/01/71/505450171.db2.gz WOJITBJWLKKGRR-KSZLIROESA-N 2 0 359.905 3.192 20 0 FGADRP c1ccc(C[N@H+]2C[C@H](C[NH2+]Cc3ccncc3)C3(C2)CCOCC3)cc1 ZINC000555612491 505474860 /nfs/dbraw/zinc/47/48/60/505474860.db2.gz OWKDPRNEUABSOB-NRFANRHFSA-N 2 0 351.494 3.100 20 0 FGADRP [NH3+][C@@H]1CCC[C@H](CNC(=O)NC[C@H]2CCCC[N@H+](Cc3ccccc3)C2)C1 ZINC000564644684 505481220 /nfs/dbraw/zinc/48/12/20/505481220.db2.gz VEOQTYCTHHNPLL-PWRODBHTSA-N 2 0 372.557 3.105 20 0 FGADRP CC(C)(C)c1nnc(CN[C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)[nH]1 ZINC000564656904 505484602 /nfs/dbraw/zinc/48/46/02/505484602.db2.gz ZGOBWYNFNHJENI-QGZVFWFLSA-N 2 0 353.514 3.389 20 0 FGADRP Cc1cc2ncn(C[C@H](O)C[NH2+]C3CC[NH+](C4CCCC4)CC3)c2cc1C ZINC000552570362 505515768 /nfs/dbraw/zinc/51/57/68/505515768.db2.gz CAWRZJZKZYFFTP-HXUWFJFHSA-N 2 0 370.541 3.011 20 0 FGADRP COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]CC1(SC)CC[NH+](C)CC1)CC3 ZINC000567653887 505526306 /nfs/dbraw/zinc/52/63/06/505526306.db2.gz KVWIAZLSSDFUJV-OAHLLOKOSA-N 2 0 373.566 3.451 20 0 FGADRP C[NH+](C)Cc1cccc(C[NH2+]C[C@@H](O)COCc2ccc(Cl)cc2)c1 ZINC000564846023 505536537 /nfs/dbraw/zinc/53/65/37/505536537.db2.gz YHIFYDDTLDSAJG-HXUWFJFHSA-N 2 0 362.901 3.069 20 0 FGADRP C[C@H](OC[C@@H](O)C[NH2+]CC(C)(C)C[NH+]1CCCC1)c1ccc(Cl)cc1 ZINC000564864747 505543923 /nfs/dbraw/zinc/54/39/23/505543923.db2.gz SSTAENBSGZYMMM-LPHOPBHVSA-N 2 0 368.949 3.490 20 0 FGADRP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@H+]2CCC[C@@H](C)[C@H]2C)CC1 ZINC000562241334 505549731 /nfs/dbraw/zinc/54/97/31/505549731.db2.gz OZRZYPQPIXBAQS-UYAOXDASSA-N 2 0 357.542 3.150 20 0 FGADRP COc1ccc([C@H](CNC(=O)C[C@@H]2CCCC[C@@H]2[NH3+])[NH+]2CCCCC2)cc1 ZINC000567746535 505555696 /nfs/dbraw/zinc/55/56/96/505555696.db2.gz XSJRGLPDBBOTTN-JBACZVJFSA-N 2 0 373.541 3.246 20 0 FGADRP C[C@H](CC(=O)N(CC[NH+](C)C)Cc1cccc(Cl)c1)C1CC[NH2+]CC1 ZINC000567819749 505565738 /nfs/dbraw/zinc/56/57/38/505565738.db2.gz WZIYPXDONNKDAN-MRXNPFEDSA-N 2 0 365.949 3.256 20 0 FGADRP NC(=O)C1CC[NH+](Cc2ccc(C[NH2+]C3CCC4(CC4)CC3)cc2)CC1 ZINC000567864343 505569188 /nfs/dbraw/zinc/56/91/88/505569188.db2.gz AZSNQMMMWREZFH-UHFFFAOYSA-N 2 0 355.526 3.196 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)[C@H]3CCCC[NH+]3C)cc2)C1 ZINC000599312387 506406443 /nfs/dbraw/zinc/40/64/43/506406443.db2.gz JIHFDNXNGTXPOX-LVCYWYKZSA-N 2 0 357.542 3.265 20 0 FGADRP CC[NH+](CC)CCOc1ccc(CNC(=O)c2ccc([C@H](C)[NH3+])cc2)cc1 ZINC000582784026 506418377 /nfs/dbraw/zinc/41/83/77/506418377.db2.gz ZXPIUBADKZMZHZ-KRWDZBQOSA-N 2 0 369.509 3.357 20 0 FGADRP C[C@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)NCCCC[NH+](C)C ZINC000603286612 506476400 /nfs/dbraw/zinc/47/64/00/506476400.db2.gz LOYZVQUYQRIDOM-SFHVURJKSA-N 2 0 361.530 3.011 20 0 FGADRP C[C@@H](CC[NH+](C)C)NC(=O)c1ccccc1OCC[N@@H+]1CCCC[C@@H]1C ZINC000603307832 506481622 /nfs/dbraw/zinc/48/16/22/506481622.db2.gz XMFOIRASVAGERK-ROUUACIJSA-N 2 0 361.530 3.010 20 0 FGADRP CCOC(=O)C1([C@H](C)[NH2+][C@@H](CC)Cc2ccc(F)cc2)CC[NH2+]CC1 ZINC000596650234 506509957 /nfs/dbraw/zinc/50/99/57/506509957.db2.gz KBAXBOHDJJOBFC-YJBOKZPZSA-N 2 0 350.478 3.058 20 0 FGADRP c1ccc(C[NH+]2CCCCC2)c(C[NH2+]C2CCN(C[C@H]3CCCO3)CC2)c1 ZINC000603517339 506539223 /nfs/dbraw/zinc/53/92/23/506539223.db2.gz PVJMOBSUKSSLGH-HSZRJFAPSA-N 2 0 371.569 3.406 20 0 FGADRP C[C@H]([NH2+]C1(CNC(=O)N[C@H]2CCC[N@H+](C)C2)CCCC1)c1ccccc1 ZINC000603593725 506569411 /nfs/dbraw/zinc/56/94/11/506569411.db2.gz XQNYUYYADBNWNN-HKUYNNGSSA-N 2 0 358.530 3.043 20 0 FGADRP COc1ccc(Br)c(C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)c1 ZINC000583143687 506614939 /nfs/dbraw/zinc/61/49/39/506614939.db2.gz SZKCSTLCURGMDQ-CQSZACIVSA-N 2 0 353.304 3.279 20 0 FGADRP C[NH+](C)C1(CNC(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)CCCCC1 ZINC000604073708 506703277 /nfs/dbraw/zinc/70/32/77/506703277.db2.gz IIXKPGXYDNHHEE-FQEVSTJZSA-N 2 0 372.557 3.215 20 0 FGADRP CCCC[NH+]1CCC([NH2+]C[C@H](O)COCc2ccccc2Cl)CC1 ZINC000583376733 506746801 /nfs/dbraw/zinc/74/68/01/506746801.db2.gz CXQQDVWOQBOGIL-SFHVURJKSA-N 2 0 354.922 3.072 20 0 FGADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000604195898 506746788 /nfs/dbraw/zinc/74/67/88/506746788.db2.gz WYJMGMYGJJPOSM-NHCUHLMSSA-N 2 0 372.557 3.387 20 0 FGADRP CC(C)[NH+]1CCN([C@H]2CC[N@H+](CCc3cccc(C(F)(F)F)c3)C2)CC1 ZINC000600121495 506787615 /nfs/dbraw/zinc/78/76/15/506787615.db2.gz VEIFCIQINDVULY-IBGZPJMESA-N 2 0 369.475 3.348 20 0 FGADRP CCOC(=O)c1cccc(C[NH2+]CC2CC[NH+](Cc3cccs3)CC2)n1 ZINC000600128771 506791374 /nfs/dbraw/zinc/79/13/74/506791374.db2.gz ANWJFCDYBFCQIG-UHFFFAOYSA-N 2 0 373.522 3.322 20 0 FGADRP COC(=O)[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1[NH2+]C1CC[NH+]([C@H](C)Cc2ccccc2)CC1 ZINC000597247305 506858729 /nfs/dbraw/zinc/85/87/29/506858729.db2.gz GVTVRYHHDPRAOU-JTIOYYDXSA-N 2 0 370.537 3.259 20 0 FGADRP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000613130048 506931884 /nfs/dbraw/zinc/93/18/84/506931884.db2.gz YVIWKPKDDQUGJH-WIYYLYMNSA-N 2 0 357.542 3.055 20 0 FGADRP C[NH+](C)CC[C@H](NC(=O)NCC1([NH+](C)C)CCCCCC1)C(C)(C)C ZINC000604776953 506939303 /nfs/dbraw/zinc/93/93/03/506939303.db2.gz RRAONERIWSYFFJ-KRWDZBQOSA-N 2 0 354.583 3.307 20 0 FGADRP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)N[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000594105049 506941912 /nfs/dbraw/zinc/94/19/12/506941912.db2.gz WYUQRGYNLLJWOF-SVFBPWRDSA-N 2 0 372.557 3.213 20 0 FGADRP CC(C)[N@H+](C)CC1CC[NH+]([C@H](C)C(=O)NC[C@@H](C)c2ccccc2)CC1 ZINC000590786517 506954378 /nfs/dbraw/zinc/95/43/78/506954378.db2.gz FMRODTYNCWIIPJ-RTBURBONSA-N 2 0 359.558 3.347 20 0 FGADRP CC(C)[N@H+](C)CC1CC[NH+]([C@H](C)C(=O)NC[C@H](C)c2ccccc2)CC1 ZINC000590786516 506956094 /nfs/dbraw/zinc/95/60/94/506956094.db2.gz FMRODTYNCWIIPJ-RBUKOAKNSA-N 2 0 359.558 3.347 20 0 FGADRP C[N@@H+]1CCCC12CCN(C(=O)[C@@H]1CCC[NH+](CCc3ccccc3)C1)CC2 ZINC000613232263 506983988 /nfs/dbraw/zinc/98/39/88/506983988.db2.gz PJZTTXZEYCMSCN-OAQYLSRUSA-N 2 0 369.553 3.028 20 0 FGADRP CC(C)[C@@H](C(=O)NCc1ccc(C[NH+]2CCCC2)cc1)[NH+]1CCCCC1 ZINC000591108600 507119034 /nfs/dbraw/zinc/11/90/34/507119034.db2.gz LXZUUVPZQPEOHB-NRFANRHFSA-N 2 0 357.542 3.409 20 0 FGADRP CC(C)[C@H](C(=O)NC[C@H](C)[N@@H+]1CCc2ccccc2C1)[NH+]1CCCCC1 ZINC000591128288 507125959 /nfs/dbraw/zinc/12/59/59/507125959.db2.gz SDTCUMVTVLDZFZ-GHTZIAJQSA-N 2 0 357.542 3.060 20 0 FGADRP COc1ccccc1[C@@H](CNC(=O)[C@@H](C)[NH+]1CCCCCC1)[NH+]1CCCC1 ZINC000605398941 507175313 /nfs/dbraw/zinc/17/53/13/507175313.db2.gz TZPCGNBMTIAQCG-UYAOXDASSA-N 2 0 373.541 3.213 20 0 FGADRP O=C(Nc1cccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)c1)c1ccccn1 ZINC000584226043 507223082 /nfs/dbraw/zinc/22/30/82/507223082.db2.gz BSXILQBSZAHARS-XUVXKRRUSA-N 2 0 364.493 3.344 20 0 FGADRP C[N@@H+]1CCCC[C@@H]1C(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000601003535 507223880 /nfs/dbraw/zinc/22/38/80/507223880.db2.gz JTPFXDUSNYMNJJ-LJQANCHMSA-N 2 0 363.933 3.153 20 0 FGADRP C[C@@H](CNC(=O)c1ccccc1OCC[N@@H+]1CCCC[C@H]1C)[NH+](C)C1CC1 ZINC000591456241 507257249 /nfs/dbraw/zinc/25/72/49/507257249.db2.gz HFAOZPCVWRWKQF-MSOLQXFVSA-N 2 0 373.541 3.152 20 0 FGADRP CC(C)[C@@H](CNC(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1)[NH+]1CCCC1 ZINC000591538302 507281253 /nfs/dbraw/zinc/28/12/53/507281253.db2.gz FFGNSVQTGXXYRR-RTWAWAEBSA-N 2 0 372.557 3.243 20 0 FGADRP C[C@H](CNC(=O)NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C)[NH+](C)C1CC1 ZINC000591554164 507288991 /nfs/dbraw/zinc/28/89/91/507288991.db2.gz UWWONNPSCQXIIJ-ZWKOTPCHSA-N 2 0 372.557 3.343 20 0 FGADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)NCCCC[NH+]2C[C@H](C)C[C@@H](C)C2)C1 ZINC000591559096 507291667 /nfs/dbraw/zinc/29/16/67/507291667.db2.gz GZAULUWIKRKENY-VAMGGRTRSA-N 2 0 366.594 3.164 20 0 FGADRP FC(F)(F)c1ccn(-c2ccc(C[N@@H+]3CC[C@@]4(C3)CCC[NH2+]C4)cc2)n1 ZINC000584351248 507297123 /nfs/dbraw/zinc/29/71/23/507297123.db2.gz YFAGOZRTGWBYNJ-SFHVURJKSA-N 2 0 364.415 3.467 20 0 FGADRP CC(C)[NH2+][C@H]1CCCN(C(=O)NC[C@H]2CCCC[N@@H+]2Cc2ccccc2)C1 ZINC000601285229 507321803 /nfs/dbraw/zinc/32/18/03/507321803.db2.gz GRSQNMXXNDTXIW-LEWJYISDSA-N 2 0 372.557 3.213 20 0 FGADRP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)N2CC[C@](C)(C[NH3+])C2)C1 ZINC000584458673 507356323 /nfs/dbraw/zinc/35/63/23/507356323.db2.gz AXDGTDXZYWGBDH-JBYIUTFZSA-N 2 0 372.557 3.045 20 0 FGADRP CC(C)Cc1ccc(C(=O)N(C)[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)cc1 ZINC000601472824 507369808 /nfs/dbraw/zinc/36/98/08/507369808.db2.gz WIUTWPSTSAVKQR-NRFANRHFSA-N 2 0 357.542 3.126 20 0 FGADRP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2C[NH2+]C[C@H]2CNc3ccnn3C2)C1 ZINC000595139197 507405665 /nfs/dbraw/zinc/40/56/65/507405665.db2.gz GSZGPVXERSRNKA-QRVBRYPASA-N 2 0 367.541 3.193 20 0 FGADRP CC[C@H](C(=O)N[C@@H]1CC[NH+](C)[C@@H]1c1ccccc1)[N@H+](C)Cc1ccccc1 ZINC000584691742 507453368 /nfs/dbraw/zinc/45/33/68/507453368.db2.gz WDOLLBPXSBMECH-YPAWHYETSA-N 2 0 365.521 3.459 20 0 FGADRP Cc1cc(C)cc(OC[C@@H](O)C[NH2+]C2CC[NH+](C3CCCCC3)CC2)c1 ZINC000584715242 507467679 /nfs/dbraw/zinc/46/76/79/507467679.db2.gz NQUFAUARCISQIK-NRFANRHFSA-N 2 0 360.542 3.430 20 0 FGADRP CC[NH+](CC)CCN(CC(C)C)C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000606704667 507489782 /nfs/dbraw/zinc/48/97/82/507489782.db2.gz BJPFAOSMCIHBAH-SFHVURJKSA-N 2 0 352.567 3.013 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(Cl)c(F)c1 ZINC000607057460 507599639 /nfs/dbraw/zinc/59/96/39/507599639.db2.gz RHVDUMVTAFNIFF-OAHLLOKOSA-N 2 0 370.900 3.359 20 0 FGADRP C[C@@H]1CCC[N@H+](CCNC(=O)N2CCC[NH+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000607175902 507645525 /nfs/dbraw/zinc/64/55/25/507645525.db2.gz ZCKMJSKRBYWENB-UXHICEINSA-N 2 0 372.557 3.024 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1)CC(C)C ZINC000592483676 507674951 /nfs/dbraw/zinc/67/49/51/507674951.db2.gz HFJAFNRBCFCYGV-PKOBYXMFSA-N 2 0 352.567 3.059 20 0 FGADRP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccccc3CC(F)(F)F)C2)CC1 ZINC000602487313 507724147 /nfs/dbraw/zinc/72/41/47/507724147.db2.gz WULBWGQQTNVWAB-LJQANCHMSA-N 2 0 369.475 3.392 20 0 FGADRP Cc1csc2c1ncnc2NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000479966956 561200381 /nfs/dbraw/zinc/20/03/81/561200381.db2.gz XJNZSLGWYPAFDL-UHFFFAOYSA-N 2 0 368.510 3.019 20 0 FGADRP Cc1cnc(NC[C@@H]2CC[N@@H+](C(C)C)C2)nc1NC[C@@H]1CC[NH+](C(C)C)C1 ZINC000532045709 562465071 /nfs/dbraw/zinc/46/50/71/562465071.db2.gz OLMWZFZRGHEGMB-OALUTQOASA-N 2 0 374.577 3.069 20 0 FGADRP C[C@H]1CCC[N@H+](CCCC[NH2+][C@H]2CCCc3cc(-c4nn[nH]n4)ccc32)C1 ZINC000824945769 608501746 /nfs/dbraw/zinc/50/17/46/608501746.db2.gz FLMDKWZZLDJQHP-JXFKEZNVSA-N 2 0 368.529 3.346 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2cc(-c3nn[nH]n3)cs2)CC1 ZINC000824936086 608744015 /nfs/dbraw/zinc/74/40/15/608744015.db2.gz DSESQOJNTWLSKH-OAHLLOKOSA-N 2 0 374.558 3.405 20 0 FGADRP C[C@H]([NH2+]CCCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824875214 609328135 /nfs/dbraw/zinc/32/81/35/609328135.db2.gz JRXLYMKLUDXVGM-OAGGEKHMSA-N 2 0 374.508 3.415 20 0 FGADRP CC[N@H+](C)Cc1cccc(C[NH2+][C@@H](C)c2ccc(-c3nn[nH]n3)cc2F)c1 ZINC000825391466 609333313 /nfs/dbraw/zinc/33/33/13/609333313.db2.gz ZSTPIGCWRPRXSR-AWEZNQCLSA-N 2 0 368.460 3.308 20 0 FGADRP C[C@@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)c1ccc(Br)s1 ZINC000038002131 695755784 /nfs/dbraw/zinc/75/57/84/695755784.db2.gz AZSVWTIPGXZTAH-GFCCVEGCSA-N 2 0 360.365 3.187 20 0 FGADRP C[N@H+](Cc1ccc(I)cc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000088183159 700376780 /nfs/dbraw/zinc/37/67/80/700376780.db2.gz WYEMBGCFOCYOAS-YIONKMFJSA-N 2 0 356.251 3.006 20 0 FGADRP C[C@H](C[NH2+][C@@H]1CCSc2c(Cl)cccc21)CN1CC[NH+](C)CC1 ZINC000121049327 700664725 /nfs/dbraw/zinc/66/47/25/700664725.db2.gz BTYBNNGMRQDEII-RHSMWYFYSA-N 2 0 353.963 3.350 20 0 FGADRP CC(C)[NH+]1CCC([NH2+][C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)CC1 ZINC000167910102 705348335 /nfs/dbraw/zinc/34/83/35/705348335.db2.gz WAZMQQFFOIKPAP-IBGZPJMESA-N 2 0 365.949 3.472 20 0 FGADRP CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000173340117 705455138 /nfs/dbraw/zinc/45/51/38/705455138.db2.gz QYBKHXODXIABOV-BQFCYCMXSA-N 2 0 351.535 3.144 20 0 FGADRP CC[NH+](CC)CCCC1CCN(C(=O)NC[C@@H]2CCC[N@@H+]2CC)CC1 ZINC000183903493 705909573 /nfs/dbraw/zinc/90/95/73/705909573.db2.gz WQSKVTIAQRTQKQ-IBGZPJMESA-N 2 0 352.567 3.014 20 0 FGADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H](C)c1cc(Br)cc(C)c1O ZINC000187289253 712738296 /nfs/dbraw/zinc/73/82/96/712738296.db2.gz UZGUOGJMOOEBBO-ZFWWWQNUSA-N 2 0 373.335 3.471 20 0 FGADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@]2(C)CCN(C(=O)OC(C)(C)C)C2)[C@@H](C)C1 ZINC000248666246 713655923 /nfs/dbraw/zinc/65/59/23/713655923.db2.gz NMTRZMZFERQSSN-ABSDTBQOSA-N 2 0 353.551 3.296 20 0 FGADRP C[C@H](C(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1)[C@@H]([NH3+])c1ccccc1 ZINC000263021653 713734122 /nfs/dbraw/zinc/73/41/22/713734122.db2.gz SQLKIKFYMXDBNT-MEDUHNTESA-N 2 0 351.372 3.439 20 0 FGADRP C[C@H](C[NH2+][C@@H]1CCCC[C@H]1CNC(=O)OC(C)(C)C)C[NH+]1CCCC1 ZINC000301466922 713782232 /nfs/dbraw/zinc/78/22/32/713782232.db2.gz WMDNUBNEZFTKTJ-FGTMMUONSA-N 2 0 353.551 3.391 20 0 FGADRP C[C@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)c1ccc(OC(F)(F)F)cc1 ZINC000326794874 713820416 /nfs/dbraw/zinc/82/04/16/713820416.db2.gz YGHROJZNIJLWMR-AWEZNQCLSA-N 2 0 359.436 3.262 20 0 FGADRP C[C@@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)c1cc(Br)cs1 ZINC000365889250 713858899 /nfs/dbraw/zinc/85/88/99/713858899.db2.gz SWHBFYNKAJAJDX-OCCSQVGLSA-N 2 0 372.376 3.330 20 0 FGADRP C[C@H]1CN(Cc2cccc(C(F)(F)F)c2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000374296352 713911596 /nfs/dbraw/zinc/91/15/96/713911596.db2.gz NBOPQCNJWYCRIX-YJBOKZPZSA-N 2 0 355.448 3.163 20 0 FGADRP [NH3+]C[C@H]1CC[C@H](C[NH2+]Cc2cc3c(c(Br)c2)OCO3)CC1 ZINC000415026525 714006092 /nfs/dbraw/zinc/00/60/92/714006092.db2.gz UCHRMMSIHBWYGP-HAQNSBGRSA-N 2 0 355.276 3.033 20 0 FGADRP CC[N@H+](CCC1CCN(C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)CC1)CC(C)C ZINC000418567775 714010185 /nfs/dbraw/zinc/01/01/85/714010185.db2.gz BFGHQIYPLCRWIQ-RTBURBONSA-N 2 0 352.567 3.046 20 0 FGADRP CC[NH+](CC)Cc1ccc(C[NH2+]Cc2cccc(S(C)(=O)=O)c2)cc1 ZINC000449066963 714040156 /nfs/dbraw/zinc/04/01/56/714040156.db2.gz HCTXZMAALPQBPH-UHFFFAOYSA-N 2 0 360.523 3.222 20 0 FGADRP CC(C)CC[NH+]1CCC(C[NH2+]Cc2ccc3c(c2)sc(=O)n3C)CC1 ZINC000526981532 714417442 /nfs/dbraw/zinc/41/74/42/714417442.db2.gz LABUZDJEUPDMDJ-UHFFFAOYSA-N 2 0 361.555 3.448 20 0 FGADRP CCCC[N@H+](C)CC1CCN(C(=O)NCC[NH+](C(C)C)C(C)C)CC1 ZINC000615951677 714558617 /nfs/dbraw/zinc/55/86/17/714558617.db2.gz YPKUYKVPQRYEJT-UHFFFAOYSA-N 2 0 354.583 3.259 20 0 FGADRP CC[NH+](CC)CCCNC(=O)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000643222164 718020401 /nfs/dbraw/zinc/02/04/01/718020401.db2.gz BUVSNQDJWWKCBS-UHFFFAOYSA-N 2 0 352.567 3.016 20 0 FGADRP Brc1ccc([C@H]([NH2+]CC[C@H]2CC[NH2+]C2)[C@H]2CCCO2)cc1 ZINC000643509297 718037632 /nfs/dbraw/zinc/03/76/32/718037632.db2.gz VMELFLIAPZMOCA-XYPHTWIQSA-N 2 0 353.304 3.258 20 0 FGADRP Brc1ccc([C@H]([NH2+][C@H]2CC23CC[NH2+]CC3)[C@@H]2CCCO2)cc1 ZINC000643534839 718038079 /nfs/dbraw/zinc/03/80/79/718038079.db2.gz DNJDECXSLYKQOU-ULQDDVLXSA-N 2 0 365.315 3.401 20 0 FGADRP Clc1cnccc1C[NH2+]CCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000623363038 715319132 /nfs/dbraw/zinc/31/91/32/715319132.db2.gz VNSHIOJTOGCXIL-UHFFFAOYSA-N 2 0 358.917 3.427 20 0 FGADRP C[N@@H+]1CC[C@@H]([NH2+][C@H]2CCN(c3ccc(Br)cc3)C2)CC1(C)C ZINC000623399246 715327782 /nfs/dbraw/zinc/32/77/82/715327782.db2.gz CZHQMBHTSSKPJV-CVEARBPZSA-N 2 0 366.347 3.490 20 0 FGADRP C[N@@H+]1CC[C@@H]([NH2+]C[C@H](CO)Cc2ccccc2Br)CC1(C)C ZINC000623507281 715350480 /nfs/dbraw/zinc/35/04/80/715350480.db2.gz BNUBXQRXOWCFTP-GDBMZVCRSA-N 2 0 369.347 3.063 20 0 FGADRP CCC[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1cc(C)sc1C ZINC000623888671 715424919 /nfs/dbraw/zinc/42/49/19/715424919.db2.gz PKPATUGQOJOHCK-SJLPKXTDSA-N 2 0 351.560 3.383 20 0 FGADRP OC1(C[NH2+][C@@H]2CCCc3scnc32)CC[NH+](Cc2ccccc2)CC1 ZINC000624000622 715450768 /nfs/dbraw/zinc/45/07/68/715450768.db2.gz HQPVAIYMVOJTFD-QGZVFWFLSA-N 2 0 357.523 3.137 20 0 FGADRP C[C@H]([NH2+]C[C@H]1CCCN1CC(F)F)c1ccc(OCC[NH+](C)C)cc1 ZINC000624095442 715470494 /nfs/dbraw/zinc/47/04/94/715470494.db2.gz DACWCDMJQJWJOQ-DOTOQJQBSA-N 2 0 355.473 3.007 20 0 FGADRP CC(C)[NH+]1CCC([NH2+]C[C@H]2CN(c3ccc(Cl)cc3)CCO2)CC1 ZINC000624118782 715476493 /nfs/dbraw/zinc/47/64/93/715476493.db2.gz OCTVSHGKDXJTTF-IBGZPJMESA-N 2 0 351.922 3.008 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CC1CCC(F)(F)CC1 ZINC000625022836 715643892 /nfs/dbraw/zinc/64/38/92/715643892.db2.gz COICKLLANVMFPY-QGZVFWFLSA-N 2 0 359.505 3.077 20 0 FGADRP CC[N@H+](C)C[C@H]1CC[NH+](CC[C@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000779477313 724416146 /nfs/dbraw/zinc/41/61/46/724416146.db2.gz AREXPXWVGPWAAJ-QZTJIDSGSA-N 2 0 353.551 3.297 20 0 FGADRP C[NH+](C)C[C@@H](NC(=O)NCCC[NH2+]C1CC1)c1ccc(Cl)c(Cl)c1 ZINC000627064887 715991743 /nfs/dbraw/zinc/99/17/43/715991743.db2.gz VXIVRIOYVKVOGC-MRXNPFEDSA-N 2 0 373.328 3.037 20 0 FGADRP C[C@H]1CC[N@H+](CC(=O)N[C@@H](C[NH+](C)C)c2ccc(Cl)c(Cl)c2)C1 ZINC000628969535 716193849 /nfs/dbraw/zinc/19/38/49/716193849.db2.gz ULAFLODURHVKCH-LRDDRELGSA-N 2 0 358.313 3.054 20 0 FGADRP C[C@H]([NH3+])c1ccc(CNC(=O)[C@@H]([NH3+])c2ccc(C(F)(F)F)cc2)cc1 ZINC000637859946 717384059 /nfs/dbraw/zinc/38/40/59/717384059.db2.gz IYAPGTSFGMYTMH-ZBEGNZNMSA-N 2 0 351.372 3.041 20 0 FGADRP O=c1c(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)cccn1C(F)F ZINC000638133166 717411805 /nfs/dbraw/zinc/41/18/05/717411805.db2.gz QLZGVPJJBYDOOP-UHFFFAOYSA-N 2 0 353.457 3.331 20 0 FGADRP C[NH+]1CCC(CC[NH2+]Cc2nc3cc(Br)ccc3o2)CC1 ZINC000638566701 717466758 /nfs/dbraw/zinc/46/67/58/717466758.db2.gz NKBCZMQWOKXQDA-UHFFFAOYSA-N 2 0 352.276 3.412 20 0 FGADRP CC(C)(C)O[C@@H]1C[C@H]([NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)C12CCC2 ZINC000638669907 717475160 /nfs/dbraw/zinc/47/51/60/717475160.db2.gz XOZUBTFDPFVECA-YTQUADARSA-N 2 0 350.547 3.203 20 0 FGADRP C[NH+]1CCC2(CCN(Cc3ncc(Br)cc3Cl)C2)CC1 ZINC000639756465 717598409 /nfs/dbraw/zinc/59/84/09/717598409.db2.gz VSYIEPYWFZXIAC-UHFFFAOYSA-N 2 0 358.711 3.415 20 0 FGADRP O[C@@H](C[NH2+]C1CC[NH+](C2CCCC2)CC1)COCc1ccccc1Cl ZINC000644584190 718128464 /nfs/dbraw/zinc/12/84/64/718128464.db2.gz OYHZFXVPTKMLME-IBGZPJMESA-N 2 0 366.933 3.214 20 0 FGADRP C[NH+](C)CCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)CCCC[NH3+] ZINC000645745923 718238659 /nfs/dbraw/zinc/23/86/59/718238659.db2.gz KTZGVLJHGBVJSG-UHFFFAOYSA-N 2 0 360.329 3.403 20 0 FGADRP C[NH+](C)CCOc1ccc(C[NH2+]C[C@H]2CSc3ccccc3O2)cc1 ZINC000647222836 718340985 /nfs/dbraw/zinc/34/09/85/718340985.db2.gz RGYRSUWJJUIXJY-SFHVURJKSA-N 2 0 358.507 3.270 20 0 FGADRP C[C@H](C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)Oc1ccc(Br)cc1 ZINC000647788744 718377767 /nfs/dbraw/zinc/37/77/67/718377767.db2.gz PPQIWCXJEJAVKE-IXYNUQLISA-N 2 0 353.304 3.194 20 0 FGADRP C[NH2+]CCC1CC[NH+]([C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)CC1 ZINC000647906231 718385838 /nfs/dbraw/zinc/38/58/38/718385838.db2.gz TXCHANJSJRLOTE-KRWDZBQOSA-N 2 0 370.324 3.420 20 0 FGADRP CSc1ccccc1NC(=O)[C@H](C)[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647975866 718391014 /nfs/dbraw/zinc/39/10/14/718391014.db2.gz HBJYRXWCUVRSIE-YESZJQIVSA-N 2 0 361.555 3.447 20 0 FGADRP CC1CC[NH+](C[C@@H]2CCCN(C(=O)[C@@H]([NH3+])c3cccc(Cl)c3)C2)CC1 ZINC000649310899 718502899 /nfs/dbraw/zinc/50/28/99/718502899.db2.gz LLVFNEAEUTTZKF-LPHOPBHVSA-N 2 0 363.933 3.310 20 0 FGADRP C[C@@H]1OCC[C@]1(C)[NH2+]Cc1ccc(F)c(C[NH2+][C@@]2(C)CCO[C@H]2C)c1 ZINC000649489583 718520591 /nfs/dbraw/zinc/52/05/91/718520591.db2.gz SZLVPVJXVOULNY-SLUIBLPYSA-N 2 0 350.478 3.140 20 0 FGADRP CC[N@H+](CCCNC(=O)NC[C@@H]1CC[NH+](C(C)C)C1)C1CCCCC1 ZINC000650013247 718603697 /nfs/dbraw/zinc/60/36/97/718603697.db2.gz FNAHWLPVMZKFSD-SFHVURJKSA-N 2 0 352.567 3.061 20 0 FGADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@H+](Cc3ccc(OCC(F)F)cc3)C2)C1 ZINC000650706088 718716848 /nfs/dbraw/zinc/71/68/48/718716848.db2.gz CYPJWLKNUDHWSB-JFIYKMOQSA-N 2 0 354.441 3.049 20 0 FGADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@H+](Cc3cccc(Br)c3)C2)C1 ZINC000650705608 718717002 /nfs/dbraw/zinc/71/70/02/718717002.db2.gz NSDQFDOPHYXUJQ-DJIMGWMZSA-N 2 0 353.304 3.167 20 0 FGADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@H+](Cc3ccc(Br)cc3)C2)C1 ZINC000650705471 718717039 /nfs/dbraw/zinc/71/70/39/718717039.db2.gz ICAHVLJCADIVBY-USXIJHARSA-N 2 0 353.304 3.167 20 0 FGADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@H+](Cc3ccc(Br)s3)C2)C1 ZINC000650706373 718717178 /nfs/dbraw/zinc/71/71/78/718717178.db2.gz JMHHCIPJOLMINJ-OUCADQQQSA-N 2 0 359.333 3.229 20 0 FGADRP Cc1cc(C[N@@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)ccc1Br ZINC000650708146 718717312 /nfs/dbraw/zinc/71/73/12/718717312.db2.gz UIKRAZRBOYEEEF-XYJFISCASA-N 2 0 367.331 3.476 20 0 FGADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@@H+]2Cc2cccc(Br)c2)C1 ZINC000650722690 718720541 /nfs/dbraw/zinc/72/05/41/718720541.db2.gz ZXYGJHPDYBWEGZ-BRWVUGGUSA-N 2 0 353.304 3.310 20 0 FGADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@@H+]2Cc2cnc(-c3ccncc3)s2)C1 ZINC000650723388 718720569 /nfs/dbraw/zinc/72/05/69/718720569.db2.gz NFNCZGRVGRYQNC-BPQIPLTHSA-N 2 0 358.511 3.066 20 0 FGADRP Cn1c2cc(Cl)ccc2nc1C[N@@H+]1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1 ZINC000650723543 718720740 /nfs/dbraw/zinc/72/07/40/718720740.db2.gz PUUMGSRRVQWOQF-YXJHDRRASA-N 2 0 362.905 3.088 20 0 FGADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@@H+]2Cc2ccc(OCC(F)F)cc2)C1 ZINC000650723791 718721321 /nfs/dbraw/zinc/72/13/21/718721321.db2.gz UDLFVGMWTCTLRW-KBAYOESNSA-N 2 0 354.441 3.191 20 0 FGADRP Cc1ccc(C[N@H+]2CC[C@@H](CN(C)C(=O)CC3CC[NH+](C)CC3)C2)s1 ZINC000652031104 718901910 /nfs/dbraw/zinc/90/19/10/718901910.db2.gz MCHOYUAUPRTDID-SFHVURJKSA-N 2 0 363.571 3.069 20 0 FGADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@H+](CCCOc3cccc(Cl)c3)C2)C1 ZINC000652348156 718934794 /nfs/dbraw/zinc/93/47/94/718934794.db2.gz WCZIDYVORULGJF-KVSKMBFKSA-N 2 0 352.906 3.327 20 0 FGADRP Cc1oc(-c2ccsc2)nc1C[N@@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652349261 718935353 /nfs/dbraw/zinc/93/53/53/718935353.db2.gz IHUFIZDGMMDCRB-YXJHDRRASA-N 2 0 361.511 3.430 20 0 FGADRP CSc1ccc(OCC[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)cc1 ZINC000652362551 718936785 /nfs/dbraw/zinc/93/67/85/718936785.db2.gz JOGASRKTJDCWPR-IPELMVKDSA-N 2 0 350.528 3.148 20 0 FGADRP C[C@@H]1CN(C(=O)Nc2ccc(SCC[NH+]3CCCC3)cc2)CC[C@@H]1[NH3+] ZINC000652613443 718966034 /nfs/dbraw/zinc/96/60/34/718966034.db2.gz UNMXVWGKXHPUQT-QAPCUYQASA-N 2 0 362.543 3.076 20 0 FGADRP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000652613546 718966553 /nfs/dbraw/zinc/96/65/53/718966553.db2.gz WBXGMNOGJPLXOI-CVEARBPZSA-N 2 0 362.543 3.076 20 0 FGADRP O=C(Nc1ccc(SCC[NH+]2CCCC2)cc1)[C@@H]1C[C@]12CCC[NH2+]C2 ZINC000655486353 719298146 /nfs/dbraw/zinc/29/81/46/719298146.db2.gz SOFJTSCUVBQRSP-ICSRJNTNSA-N 2 0 359.539 3.203 20 0 FGADRP COCc1csc(C[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H]2CO)c1 ZINC000657430835 719648406 /nfs/dbraw/zinc/64/84/06/719648406.db2.gz VFPNDKYUWJJERV-IBGZPJMESA-N 2 0 360.523 3.141 20 0 FGADRP CC(C)(C)c1cnc(C[NH2+]CC2CC[NH+](C3CCOCC3)CC2)s1 ZINC000657537278 719668112 /nfs/dbraw/zinc/66/81/12/719668112.db2.gz GKGAMOGJZCLEOJ-UHFFFAOYSA-N 2 0 351.560 3.421 20 0 FGADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1ccc(Br)c(Cl)c1 ZINC000657880935 719724975 /nfs/dbraw/zinc/72/49/75/719724975.db2.gz OEUIEZWEEDFICK-OLZOCXBDSA-N 2 0 374.754 3.389 20 0 FGADRP CCCCO[C@H]1C[C@@H]([NH2+]CC2CC[NH+](C3CCOCC3)CC2)C1(C)C ZINC000658067670 719750401 /nfs/dbraw/zinc/75/04/01/719750401.db2.gz OVOYWRLTRRKRLO-UXHICEINSA-N 2 0 352.563 3.451 20 0 FGADRP CCO[C@@H]1C[C@@H]([NH2+]CC2CC[NH+](C3CCOCC3)CC2)C12CCCC2 ZINC000658068781 719751163 /nfs/dbraw/zinc/75/11/63/719751163.db2.gz ZRTIVGMJUCLZFC-WOJBJXKFSA-N 2 0 350.547 3.205 20 0 FGADRP Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)C1([NH3+])CC2(CCC2)C1 ZINC000659284956 719890009 /nfs/dbraw/zinc/89/00/09/719890009.db2.gz JIJXWXHQNAGXAZ-UHFFFAOYSA-N 2 0 359.539 3.144 20 0 FGADRP CO[C@H](C[NH+]1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1)C1CCCCC1 ZINC000659863303 719947352 /nfs/dbraw/zinc/94/73/52/719947352.db2.gz HSJYSGLWCQLITO-SVFBPWRDSA-N 2 0 351.579 3.072 20 0 FGADRP COCC[N@H+](C)CCCC1CCN(CC[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000660159450 719999423 /nfs/dbraw/zinc/99/94/23/719999423.db2.gz UJEQETVPKCOMSJ-PMACEKPBSA-N 2 0 353.595 3.035 20 0 FGADRP Clc1ccc(SC2CC[NH+](C[C@H]3CCC4(C[NH2+]C4)O3)CC2)cc1 ZINC000662278307 720408478 /nfs/dbraw/zinc/40/84/78/720408478.db2.gz FHIUQTCAOWZBRT-OAHLLOKOSA-N 2 0 352.931 3.418 20 0 FGADRP CC[N@H+](C[C@H]1CCC2(C[NH2+]C2)O1)[C@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC000662320865 720414999 /nfs/dbraw/zinc/41/49/99/720414999.db2.gz XFSJWFZYGXFMHF-RHSMWYFYSA-N 2 0 356.432 3.479 20 0 FGADRP [NH3+]C1(C(=O)NC[C@@H](c2cccc(Cl)c2)[NH+]2CCCC2)CC2(CCC2)C1 ZINC000662680436 720451888 /nfs/dbraw/zinc/45/18/88/720451888.db2.gz YVCHPIKPTIJMQV-KRWDZBQOSA-N 2 0 361.917 3.255 20 0 FGADRP CN1CC[C@](O)(C[NH2+][C@@H]2CCCSc3ccc(Br)cc32)C1 ZINC000663448523 720515580 /nfs/dbraw/zinc/51/55/80/720515580.db2.gz ZPRDVBHUKCEUFO-ZBFHGGJFSA-N 2 0 371.344 3.032 20 0 FGADRP C[NH2+]CCCC(=O)N1CCC([NH2+]Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000663503086 720520402 /nfs/dbraw/zinc/52/04/02/720520402.db2.gz DEZKMDAOVOQPSF-UHFFFAOYSA-N 2 0 358.313 3.074 20 0 FGADRP C[NH2+]CCCC(=O)N1CCC([NH2+][C@@H]2C[C@H](C)Sc3sccc32)CC1 ZINC000665287269 720750007 /nfs/dbraw/zinc/75/00/07/720750007.db2.gz GUSCJBGRIUVIEL-XJKSGUPXSA-N 2 0 367.584 3.254 20 0 FGADRP C[C@@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)c1csc(-c2ccccc2)n1 ZINC000666082207 720886454 /nfs/dbraw/zinc/88/64/54/720886454.db2.gz MTJFBUSNBRMQBS-MRXNPFEDSA-N 2 0 358.555 3.487 20 0 FGADRP CC(C)Oc1cc[nH+]c(N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@H]2C)c1 ZINC001164857249 720970638 /nfs/dbraw/zinc/97/06/38/720970638.db2.gz FGCVPRMGOHRCLG-MRXNPFEDSA-N 2 0 357.502 3.487 20 0 FGADRP Clc1ccc(OC[C@H]2CCCO2)c(C[NH2+][C@@H]2CC23CC[NH2+]CC3)c1 ZINC000666953956 721004685 /nfs/dbraw/zinc/00/46/85/721004685.db2.gz LUNQSKAIGFMGAT-SJLPKXTDSA-N 2 0 350.890 3.130 20 0 FGADRP Fc1cccc(Cl)c1CN1CCC([NH2+][C@H]2CC23CC[NH2+]CC3)CC1 ZINC000666954173 721005191 /nfs/dbraw/zinc/00/51/91/721005191.db2.gz RCMJVVUJIQFFCB-SFHVURJKSA-N 2 0 351.897 3.175 20 0 FGADRP CC[C@@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)c1ccccc1OC(F)F ZINC000675741739 721771584 /nfs/dbraw/zinc/77/15/84/721771584.db2.gz HDQCKTYIJUSECK-MRXNPFEDSA-N 2 0 355.473 3.355 20 0 FGADRP CC[C@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)c1cc(Cl)ccc1OC ZINC000675741353 721771672 /nfs/dbraw/zinc/77/16/72/721771672.db2.gz CBMQSQAHZASILW-KRWDZBQOSA-N 2 0 353.938 3.415 20 0 FGADRP C[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCCC[NH+]2C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000677842948 721918831 /nfs/dbraw/zinc/91/88/31/721918831.db2.gz OLUSBPSTPITZJG-ZTFGCOKTSA-N 2 0 367.896 3.072 20 0 FGADRP CC[C@@H](Cc1cccs1)[NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000678591533 721965802 /nfs/dbraw/zinc/96/58/02/721965802.db2.gz QFNGTLJUODKRIS-SFHVURJKSA-N 2 0 359.539 3.150 20 0 FGADRP C[C@H]([NH2+][C@@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)c(F)c1)C1CC[NH+](C)CC1 ZINC000678607177 721967176 /nfs/dbraw/zinc/96/71/76/721967176.db2.gz NNZIEGRCUHVXNF-OEPMTFCVSA-N 2 0 367.896 3.071 20 0 FGADRP Brc1cccc(OCC[NH+]2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000679437525 722027706 /nfs/dbraw/zinc/02/77/06/722027706.db2.gz UCNPCEXRIPZBMG-UHFFFAOYSA-N 2 0 362.271 3.045 20 0 FGADRP CC[NH+](CC)CCOCC[NH2+][C@@H]1CCc2cc(Br)ccc21 ZINC000680469478 722121851 /nfs/dbraw/zinc/12/18/51/722121851.db2.gz MGZGCCMLIAXZHO-QGZVFWFLSA-N 2 0 355.320 3.384 20 0 FGADRP C[NH+]1CCN(CCC(C)(C)[NH2+]Cc2csc(Br)c2)CC1 ZINC000681136165 722183558 /nfs/dbraw/zinc/18/35/58/722183558.db2.gz LLGIULMMPDTQEF-UHFFFAOYSA-N 2 0 360.365 3.016 20 0 FGADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)N(C(=O)OC(C)(C)C)C3)C1 ZINC000709486864 722413113 /nfs/dbraw/zinc/41/31/13/722413113.db2.gz NWJIFFHXSJMTOS-XDNAFOTISA-N 2 0 351.535 3.096 20 0 FGADRP C[C@H]([NH2+]C1CCC([NH+](C)C)CC1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000715562872 722415935 /nfs/dbraw/zinc/41/59/35/722415935.db2.gz RUUQXKDFYLIVQI-ZLPCBKJTSA-N 2 0 353.551 3.484 20 0 FGADRP CCc1cnc(C[NH2+]CCC2(O)CC[NH+](Cc3ccccc3)CC2)s1 ZINC000718018539 722417883 /nfs/dbraw/zinc/41/78/83/722417883.db2.gz GDWPNFMYHIMAKW-UHFFFAOYSA-N 2 0 359.539 3.212 20 0 FGADRP C[NH+](C)CC(C)(C)CNC(=S)NC[C@@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000731492993 722475940 /nfs/dbraw/zinc/47/59/40/722475940.db2.gz SJRMODRZVDYXGW-SFHVURJKSA-N 2 0 368.635 3.083 20 0 FGADRP CC[NH+](CC)CC1CC[NH+](C[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000741782577 722549054 /nfs/dbraw/zinc/54/90/54/722549054.db2.gz MCRJBMAMCAQCTH-SFHVURJKSA-N 2 0 353.551 3.297 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=S)Nc1cc(C)cc(C)c1 ZINC000751012610 722790499 /nfs/dbraw/zinc/79/04/99/722790499.db2.gz XQINUZHSFWTHDT-LJQANCHMSA-N 2 0 362.587 3.348 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=S)Nc1ccc(C)c(F)c1 ZINC000751012736 722790519 /nfs/dbraw/zinc/79/05/19/722790519.db2.gz YFFAETKRBNECGS-QGZVFWFLSA-N 2 0 366.550 3.179 20 0 FGADRP O[C@@H](C[NH+]1CCC(OCC[NH+]2CCCC2)CC1)c1ccc(Cl)c(F)c1 ZINC000759856304 723025576 /nfs/dbraw/zinc/02/55/76/723025576.db2.gz DRCLPKLISVZAGK-IBGZPJMESA-N 2 0 370.896 3.089 20 0 FGADRP C[NH+](C)CC1(C[NH2+][C@H]2CCC[C@@H]2CNC(=O)OC(C)(C)C)CCCC1 ZINC000760898811 723102937 /nfs/dbraw/zinc/10/29/37/723102937.db2.gz SHEJGMOKHMYPOK-SJORKVTESA-N 2 0 353.551 3.391 20 0 FGADRP C[NH+](C)CCCOc1ccc(C[NH2+][C@@H]2CC[C@H]3SCCS[C@@H]23)cc1 ZINC000762613954 723262323 /nfs/dbraw/zinc/26/23/23/723262323.db2.gz LHVATTOBIWLSRZ-QRVBRYPASA-N 2 0 366.596 3.486 20 0 FGADRP CC[N@@H+]1CC[C@@H]([NH2+]CCC2=CCN(C(=O)OC(C)(C)C)CC2)[C@@H](C)C1 ZINC000793330601 723425839 /nfs/dbraw/zinc/42/58/39/723425839.db2.gz JWKGZRVEADMBNL-FUHWJXTLSA-N 2 0 351.535 3.264 20 0 FGADRP CC(C)(C)OC(=O)N1CCC[C@H]([NH2+]C2CC([NH+]3CCCCC3)C2)CC1 ZINC000793336240 723426334 /nfs/dbraw/zinc/42/63/34/723426334.db2.gz MLPNULLRQBQFCU-AOCRQIFASA-N 2 0 351.535 3.383 20 0 FGADRP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CC[C@H]2[C@H](CCN2C(=O)OC(C)(C)C)C1 ZINC000795102524 723563247 /nfs/dbraw/zinc/56/32/47/723563247.db2.gz URXVTQAOUMFKCM-KURKYZTESA-N 2 0 351.535 3.192 20 0 FGADRP C[NH+]1CCC(C)(C[NH2+]C2CCC(CNC(=O)OC(C)(C)C)CC2)CC1 ZINC000796342661 723633552 /nfs/dbraw/zinc/63/35/52/723633552.db2.gz WUAJLLVGZWEAAM-UHFFFAOYSA-N 2 0 353.551 3.391 20 0 FGADRP CC[NH+](CC)CCOCC[NH2+]Cc1c(Cl)nc2cc(Cl)ccn21 ZINC000796344627 723633614 /nfs/dbraw/zinc/63/36/14/723633614.db2.gz XWOHMQNXSNZTQP-UHFFFAOYSA-N 2 0 359.301 3.089 20 0 FGADRP CC(C)(C)OC(=O)N1CCC[C@H]1C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000768301836 723653444 /nfs/dbraw/zinc/65/34/44/723653444.db2.gz CFLIHHWJXGNWSP-SFHVURJKSA-N 2 0 351.535 3.194 20 0 FGADRP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCN(C(=O)OC(C)(C)C)CC2)[C@@H]2CCC[C@H]21 ZINC000796947187 723660497 /nfs/dbraw/zinc/66/04/97/723660497.db2.gz IXFSCVZLNQQOFE-VSZNYVQBSA-N 2 0 351.535 3.238 20 0 FGADRP C[N@@H+]1CCN(CC[NH2+]Cc2ccc(SC(F)(F)F)cc2)CC1(C)C ZINC000799346950 724015872 /nfs/dbraw/zinc/01/58/72/724015872.db2.gz VLNSULRLHWYZKK-UHFFFAOYSA-N 2 0 361.477 3.414 20 0 FGADRP C[C@H]([NH2+]CC1CN(C(=O)OC(C)(C)C)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000800373009 724188101 /nfs/dbraw/zinc/18/81/01/724188101.db2.gz GBYVRUFOZCJYFY-DOTOQJQBSA-N 2 0 351.535 3.096 20 0 FGADRP CC[N@@H+]1CCC[C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)C1 ZINC000778082655 724294725 /nfs/dbraw/zinc/29/47/25/724294725.db2.gz TVXPCDHSYTWEGN-CSNJMZFVSA-N 2 0 351.535 3.238 20 0 FGADRP C(CCCC[NH+]1CCOCC12CC2)CCCC[N@@H+]1CCOCC12CC2 ZINC000801980475 724352622 /nfs/dbraw/zinc/35/26/22/724352622.db2.gz VXKZJNAIDCZPFO-UHFFFAOYSA-N 2 0 350.547 3.447 20 0 FGADRP CCC[N@@H+](CC(=O)Nc1ccc(F)c(F)c1F)CC1CC[NH+](C)CC1 ZINC000788472914 725066143 /nfs/dbraw/zinc/06/61/43/725066143.db2.gz DNNJHTRTXRASOA-UHFFFAOYSA-N 2 0 357.420 3.096 20 0 FGADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]C2CC3(C2)CN(C(=O)OC(C)(C)C)C3)C1 ZINC000788596245 725074625 /nfs/dbraw/zinc/07/46/25/725074625.db2.gz YCLMRUBDJAIGDQ-INIZCTEOSA-N 2 0 351.535 3.096 20 0 FGADRP CC(C)[N@@H+](C)C[C@H](C)NC(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000811869689 725383527 /nfs/dbraw/zinc/38/35/27/725383527.db2.gz VSINHBCWQLLQFB-KRWDZBQOSA-N 2 0 352.567 3.059 20 0 FGADRP C[C@H]1CC[C@@H]1[NH2+]C1CCC([NH+]2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000812744480 726807504 /nfs/dbraw/zinc/80/75/04/726807504.db2.gz GZXFRVRIMWJLCQ-BFWZDYSYSA-N 2 0 351.535 3.238 20 0 FGADRP C[C@H]1CN(C(=O)NCCCCCCC[NH+](C)C)CC[N@@H+](C2CCC2)C1 ZINC000813604269 726896738 /nfs/dbraw/zinc/89/67/38/726896738.db2.gz CARPKDLAGKPAPO-GOSISDBHSA-N 2 0 352.567 3.014 20 0 FGADRP C[N@@H+]1CCC[C@@]2(CC[NH+](CC3CCN(C(=O)OC(C)(C)C)CC3)C2)C1 ZINC000815143575 727044700 /nfs/dbraw/zinc/04/47/00/727044700.db2.gz AUYCPEKSEAPRCH-HXUWFJFHSA-N 2 0 351.535 3.051 20 0 FGADRP C[C@H]([NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1)c1ccnc(Cl)c1 ZINC000817984212 727290300 /nfs/dbraw/zinc/29/03/00/727290300.db2.gz OQLIPHKZJSHFDB-INIZCTEOSA-N 2 0 358.917 3.379 20 0 FGADRP C[C@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)c1cc(Cl)c(N)c(Cl)c1 ZINC000817981970 727290466 /nfs/dbraw/zinc/29/04/66/727290466.db2.gz AKNIPQJXXXMIIA-GRTSSRMGSA-N 2 0 371.356 3.443 20 0 FGADRP C[NH+](C)CCOc1ccc(CC[NH2+]C[C@H](O)c2ccccc2Cl)cc1 ZINC000819017101 727338474 /nfs/dbraw/zinc/33/84/74/727338474.db2.gz FVPDUWCKHCVSMY-FQEVSTJZSA-N 2 0 362.901 3.146 20 0 FGADRP O[C@@H](C[NH2+]C1CCC([NH+]2CCCCC2)CC1)COCc1cccs1 ZINC000819142658 727351986 /nfs/dbraw/zinc/35/19/86/727351986.db2.gz PEAODPACUXYWMY-ABHNRTSZSA-N 2 0 352.544 3.012 20 0 FGADRP O[C@@H](C[NH2+]C1CC[NH+](C2CCC2)CC1)c1ccc(Br)cc1 ZINC000819354636 727370669 /nfs/dbraw/zinc/37/06/69/727370669.db2.gz LVGGDNFWYXPAOE-KRWDZBQOSA-N 2 0 353.304 3.089 20 0 FGADRP C[C@@H]1C[C@H](C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)CCN1C(=O)OC(C)(C)C ZINC000823666705 729297394 /nfs/dbraw/zinc/29/73/94/729297394.db2.gz QNVZJOAHEQMZCN-TVFCKZIOSA-N 2 0 351.535 3.238 20 0 FGADRP C[C@H]1C[C@@H](C[NH2+]CCC2CC[NH+](C)CC2)CCN1C(=O)OC(C)(C)C ZINC000823818733 729306688 /nfs/dbraw/zinc/30/66/88/729306688.db2.gz QLYIOWKWUJKQNW-WMZOPIPTSA-N 2 0 353.551 3.344 20 0 FGADRP C[NH+](C)CC[C@H]([NH2+]C[C@]12C[C@H]1CN(C(=O)OC(C)(C)C)C2)C(C)(C)C ZINC000823860539 729309735 /nfs/dbraw/zinc/30/97/35/729309735.db2.gz GSGAVTLWOWOECV-FTRWYGJKSA-N 2 0 353.551 3.199 20 0 FGADRP CC(C)[C@@H](CNC(=O)OC(C)(C)C)C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000824371299 729334281 /nfs/dbraw/zinc/33/42/81/729334281.db2.gz YTILWKZCYJHOPA-XNHLSEOASA-N 2 0 353.551 3.340 20 0 FGADRP Cc1cc([C@H]([NH3+])CC(=O)NCCCC[N@H+]2CCCC[C@@H]2C)cc(Cl)n1 ZINC000827103210 729424309 /nfs/dbraw/zinc/42/43/09/729424309.db2.gz GUILKUUOSWDOMA-DOTOQJQBSA-N 2 0 366.937 3.204 20 0 FGADRP CC[NH+](CC)CC1CCN(C(=O)C[C@@H]([NH3+])c2cc(C)nc(Cl)c2)CC1 ZINC000830355269 729552031 /nfs/dbraw/zinc/55/20/31/729552031.db2.gz FIFUAABGFRPHSY-QGZVFWFLSA-N 2 0 366.937 3.014 20 0 FGADRP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[C@H](CNC(=O)OC(C)(C)C)C2)[C@@H]2CCC[C@@H]21 ZINC000834907283 729845227 /nfs/dbraw/zinc/84/52/27/729845227.db2.gz NBMYWARDLDOGPS-ADHGMGHFSA-N 2 0 351.535 3.142 20 0 FGADRP C[NH+](C)CC(C)(C)CNC(=S)N1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000840820307 730179101 /nfs/dbraw/zinc/17/91/01/730179101.db2.gz HOLDZMPFPGOSRC-UHFFFAOYSA-N 2 0 370.651 3.281 20 0 FGADRP CS(=O)(=O)c1ccc(C[NH2+]C2CCC([NH+]3CCCCC3)CC2)s1 ZINC000840904606 730189471 /nfs/dbraw/zinc/18/94/71/730189471.db2.gz WIUOGFPCPWBSRJ-UHFFFAOYSA-N 2 0 356.557 3.038 20 0 FGADRP CN(C(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1)C1CCC([NH3+])CC1 ZINC000841835253 730280026 /nfs/dbraw/zinc/28/00/26/730280026.db2.gz MPDZPLFIAWBLHJ-USSHROBNSA-N 2 0 364.559 3.042 20 0 FGADRP CN(C(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1)C1CCC([NH3+])CC1 ZINC000841835252 730280131 /nfs/dbraw/zinc/28/01/31/730280131.db2.gz MPDZPLFIAWBLHJ-MMIPBJDJSA-N 2 0 364.559 3.042 20 0 FGADRP CC(C)n1ncc2cc(C[N@@H+]3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)c(Cl)nc21 ZINC000843125724 730588851 /nfs/dbraw/zinc/58/88/51/730588851.db2.gz GIHVWAFHIOGIBK-CABCVRRESA-N 2 0 361.921 3.487 20 0 FGADRP Cc1ccc(-c2csc(NC(=O)C[N@@H+](C)C3CCC([NH3+])CC3)n2)cc1 ZINC000843354619 730610052 /nfs/dbraw/zinc/61/00/52/730610052.db2.gz FLGYCBLQWDPPFB-UHFFFAOYSA-N 2 0 358.511 3.259 20 0 FGADRP C[C@@H]1C[C@@H]([NH2+]C2CC[NH+](C3CCC3)CC2)CN(C(=O)OC(C)(C)C)C1 ZINC000843398569 730614503 /nfs/dbraw/zinc/61/45/03/730614503.db2.gz PWSDJCIIINRGCK-NVXWUHKLSA-N 2 0 351.535 3.238 20 0 FGADRP C[C@H]1C[C@H]([NH2+]C2CC[NH+](C3CCC3)CC2)CN(C(=O)OC(C)(C)C)C1 ZINC000843398570 730614528 /nfs/dbraw/zinc/61/45/28/730614528.db2.gz PWSDJCIIINRGCK-RDJZCZTQSA-N 2 0 351.535 3.238 20 0 FGADRP Cc1cc([C@@H]([NH3+])CC(=O)N(CC(C)C)C2CC[NH+](C)CC2)cc(Cl)n1 ZINC000843488001 730624162 /nfs/dbraw/zinc/62/41/62/730624162.db2.gz YVCJZXPQQYKYDE-KRWDZBQOSA-N 2 0 366.937 3.012 20 0 FGADRP Cc1nc(-c2cccc(NC(=O)C[N@@H+](C)C3CCC([NH3+])CC3)c2)cs1 ZINC000844221418 730693201 /nfs/dbraw/zinc/69/32/01/730693201.db2.gz ZNXYJZXBFJSITO-UHFFFAOYSA-N 2 0 358.511 3.259 20 0 FGADRP C[N@@H+]1CCC[C@H]2C[NH+](CCCCCCNC(=O)OC(C)(C)C)CC[C@@H]21 ZINC000844304176 730700542 /nfs/dbraw/zinc/70/05/42/730700542.db2.gz MRBSSCOKGXWYOT-ROUUACIJSA-N 2 0 353.551 3.488 20 0 FGADRP C[N@@H+]1CCC[C@@H](CNC(=[NH2+])NC2CC2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000849079417 731226608 /nfs/dbraw/zinc/22/66/08/731226608.db2.gz NISZKFBCUFVTSE-XJKSGUPXSA-N 2 0 354.420 3.365 20 0 FGADRP [NH2+]=C(NC[C@H]1CCCC1(F)F)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000849115413 731230963 /nfs/dbraw/zinc/23/09/63/731230963.db2.gz SERFPVXTTMFQNC-MRXNPFEDSA-N 2 0 350.457 3.200 20 0 FGADRP C[N@@H+]1CC[C@@H]([NH2+][C@@H]2CC23CCN(C(=O)OC(C)(C)C)CC3)CC1(C)C ZINC000858168193 732188424 /nfs/dbraw/zinc/18/84/24/732188424.db2.gz GSNYAGMGSNMVPA-HZPDHXFCSA-N 2 0 351.535 3.238 20 0 FGADRP CC[C@@H]1[C@@H]([NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)CCN1C(=O)OC(C)(C)C ZINC000858500239 732220892 /nfs/dbraw/zinc/22/08/92/732220892.db2.gz YZGQURFCVAAJCH-UYTYNIKBSA-N 2 0 351.535 3.237 20 0 FGADRP COCC1CC[NH+](CC[Si](C)(C)CC[NH+]2CCC(COC)CC2)CC1 ZINC000859140167 732282252 /nfs/dbraw/zinc/28/22/52/732282252.db2.gz ZMGSSCYPTREJFT-UHFFFAOYSA-N 2 0 370.654 3.412 20 0 FGADRP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CC(F)(F)CN2C(=O)OC(C)(C)C)C1 ZINC000862283551 732804076 /nfs/dbraw/zinc/80/40/76/732804076.db2.gz KIFCKWMROSBLJQ-ZNMIVQPWSA-N 2 0 361.477 3.094 20 0 FGADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+]C[C@@H](CC(F)F)NC(=O)OC(C)(C)C)C1 ZINC000865449771 733203297 /nfs/dbraw/zinc/20/32/97/733203297.db2.gz FBAQDGAOHUOFPH-HUUCEWRRSA-N 2 0 363.493 3.245 20 0 FGADRP Brc1ncccc1C[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000865518164 733218612 /nfs/dbraw/zinc/21/86/12/733218612.db2.gz NNWYHMDYRSSVPG-UHFFFAOYSA-N 2 0 361.287 3.245 20 0 FGADRP OC[C@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+]Cc1cnc(Cl)c(F)c1 ZINC000865525127 733219814 /nfs/dbraw/zinc/21/98/14/733219814.db2.gz TXIHJMAONKPRHK-QGZVFWFLSA-N 2 0 363.864 3.121 20 0 FGADRP C[NH+](C)C1(C)CCC([NH2+]Cc2cn3ccc(Br)cc3n2)CC1 ZINC000865765470 733265869 /nfs/dbraw/zinc/26/58/69/733265869.db2.gz WIBQJTNYPBQMTE-UHFFFAOYSA-N 2 0 365.319 3.449 20 0 FGADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]C[C@H]2CC3(CO2)CCOCC3)CC1 ZINC000866534627 733362231 /nfs/dbraw/zinc/36/22/31/733362231.db2.gz WUCVKEOMXKWXFT-RLLQIKCJSA-N 2 0 350.547 3.205 20 0 FGADRP C[NH+](C)CCN(Cc1ccsc1)C(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC000868174645 733567901 /nfs/dbraw/zinc/56/79/01/733567901.db2.gz HBPMLGSXGSFNFA-ZWKOTPCHSA-N 2 0 358.511 3.158 20 0 FGADRP Cc1ccc(C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c(Cl)c1Cl ZINC000870016842 733801504 /nfs/dbraw/zinc/80/15/04/733801504.db2.gz CKWRQRLZSCQPDQ-ZIAGYGMSSA-N 2 0 372.340 3.113 20 0 FGADRP Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)CCC12CC(C1)C[NH2+]2 ZINC000870876639 733898350 /nfs/dbraw/zinc/89/83/50/733898350.db2.gz HRLRKDJODVTQKT-UHFFFAOYSA-N 2 0 359.539 3.015 20 0 FGADRP C[NH+]1CCC(C[NH2+][C@@H]2CCO[C@@H](C(C)(C)C)C2)(N2CCCCC2)CC1 ZINC000872037924 735580224 /nfs/dbraw/zinc/58/02/24/735580224.db2.gz HBNPZXSPPDLKGO-RTBURBONSA-N 2 0 351.579 3.120 20 0 FGADRP C[N@H+]1CC=C(C[NH2+][C@H](c2cccc(Br)c2)[C@H]2CCOC2)CC1 ZINC000872053791 735582140 /nfs/dbraw/zinc/58/21/40/735582140.db2.gz NDPUMUCOUXOKMM-FUHWJXTLSA-N 2 0 365.315 3.378 20 0 FGADRP Cc1ccc(NC(=O)C[N@H+](C)CCCCCC[NH3+])c(Br)c1 ZINC000872155444 735596800 /nfs/dbraw/zinc/59/68/00/735596800.db2.gz RXRKUZSAOVZJDZ-UHFFFAOYSA-N 2 0 356.308 3.147 20 0 FGADRP COc1ccccc1N1CCC([NH2+]Cc2cc3c(s2)CC[NH2+]C3)CC1 ZINC000873212372 735738718 /nfs/dbraw/zinc/73/87/18/735738718.db2.gz ZTICWRRFHNGEKT-UHFFFAOYSA-N 2 0 357.523 3.161 20 0 FGADRP COc1cc([C@@H](C)[NH2+]C[C@@H]2CC3(CO2)CC[NH2+]CC3)ccc1SC ZINC000873291630 735747193 /nfs/dbraw/zinc/74/71/93/735747193.db2.gz LXTZRJDIOOMUFA-ZBFHGGJFSA-N 2 0 350.528 3.226 20 0 FGADRP Brc1cc2c(s1)CC[C@@H]2[NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873294766 735747562 /nfs/dbraw/zinc/74/75/62/735747562.db2.gz ZMGIQVRTBRZYRR-YPMHNXCESA-N 2 0 371.344 3.246 20 0 FGADRP C[NH+](C)Cc1cccc(NC(=O)[C@H]([NH3+])c2cccc(C(F)(F)F)c2)c1 ZINC000876725085 736136212 /nfs/dbraw/zinc/13/62/12/736136212.db2.gz DRTYWDTZWMWFOR-MRXNPFEDSA-N 2 0 351.372 3.406 20 0 FGADRP Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)/C=C\[C@@H]1CCC[NH2+]C1 ZINC000876743204 736139241 /nfs/dbraw/zinc/13/92/41/736139241.db2.gz CCQDPRMHOVBCFD-WVRJYTFGSA-N 2 0 359.539 3.038 20 0 FGADRP [NH3+][C@@H](C[C@@H]1CCCN(C(=O)c2cc3c(s2)CC[NH2+]C3)C1)C1CCCC1 ZINC000877443583 736219634 /nfs/dbraw/zinc/21/96/34/736219634.db2.gz DYPJJASRIJLBIU-YOEHRIQHSA-N 2 0 361.555 3.154 20 0 FGADRP CSC(C)(C)CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000877518885 736677957 /nfs/dbraw/zinc/67/79/57/736677957.db2.gz WMIZIAMAWUPGDC-HXUWFJFHSA-N 2 0 361.599 3.410 20 0 FGADRP C[NH+](C)C1(C)CCC([NH2+]C[C@@]23C[C@@H]2CN(C(=O)OC(C)(C)C)C3)CC1 ZINC000877711279 736709064 /nfs/dbraw/zinc/70/90/64/736709064.db2.gz BXQKBCGLYRUVMW-AZNSAFFESA-N 2 0 351.535 3.096 20 0 FGADRP C[NH+]1CCC2(CC[N@H+](CC[C@@H]3CCN(C(=O)OC(C)(C)C)C3)C2)CC1 ZINC000878864086 736927097 /nfs/dbraw/zinc/92/70/97/736927097.db2.gz PMFRGNHKKHRQLN-QGZVFWFLSA-N 2 0 351.535 3.051 20 0 FGADRP C([NH2+]C1CC[NH+](C2CCCCC2)CC1)[C@H]1CCC2(CCOCC2)CO1 ZINC000883254617 737541941 /nfs/dbraw/zinc/54/19/41/737541941.db2.gz XQXKCMCGQNLVBY-HXUWFJFHSA-N 2 0 350.547 3.349 20 0 FGADRP C[NH+]1CCC(C[NH2+]C(C)(C)[C@H](O)c2ccc(Br)cc2)CC1 ZINC000893603696 742176408 /nfs/dbraw/zinc/17/64/08/742176408.db2.gz YUDRZFJEFLLZOQ-MRXNPFEDSA-N 2 0 355.320 3.193 20 0 FGADRP CC1CC[NH+](C2CCC([NH2+][C@@H]3CCOC4(CCOCC4)C3)CC2)CC1 ZINC000886044041 739211519 /nfs/dbraw/zinc/21/15/19/739211519.db2.gz PEIFKYLIAXFEKT-IOJLRTSASA-N 2 0 350.547 3.347 20 0 FGADRP C[S@](=O)[C@@H]1CCC[C@@H]([NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)C1 ZINC000886636083 739277724 /nfs/dbraw/zinc/27/77/24/739277724.db2.gz FWOAIFTYBMEPGV-BZMDMXPQSA-N 2 0 360.567 3.319 20 0 FGADRP C[N@@H+]1CCC[C@H](CNC(=O)NC2(C[NH3+])CCCCC2)[C@H]1c1cccs1 ZINC000891597161 739919363 /nfs/dbraw/zinc/91/93/63/739919363.db2.gz LCFPLYAVFWHZGY-WBVHZDCISA-N 2 0 364.559 3.092 20 0 FGADRP CN(CCCCCC[NH3+])C(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000891626574 739922003 /nfs/dbraw/zinc/92/20/03/739922003.db2.gz CSZNQHUUTGPJOQ-KRWDZBQOSA-N 2 0 354.926 3.103 20 0 FGADRP CC(C)(C)OC(=O)Nc1ccsc1C[NH2+]CCCC[NH+]1CCOCC1 ZINC000892595371 740021349 /nfs/dbraw/zinc/02/13/49/740021349.db2.gz SVJAEDPXZZTFBL-UHFFFAOYSA-N 2 0 369.531 3.297 20 0 FGADRP CC(C)[N@H+](C)Cc1ccccc1C[NH2+][C@@H]1CCC2(C[C@@H]1F)OCCO2 ZINC000893328283 742140801 /nfs/dbraw/zinc/14/08/01/742140801.db2.gz WPJQOLHVXQOXLA-RBUKOAKNSA-N 2 0 350.478 3.250 20 0 FGADRP CCC[NH+]1CCC([NH2+][C@@H]2CC[C@@H](C(=O)OCC)[C@@H](C(F)(F)F)C2)CC1 ZINC000893324047 742140921 /nfs/dbraw/zinc/14/09/21/742140921.db2.gz NLMJPIIMRWJMBH-OAGGEKHMSA-N 2 0 364.452 3.361 20 0 FGADRP COC(=O)c1csc(-c2cccc(C[NH2+]CC3CC[NH+](C)CC3)c2)n1 ZINC000893989559 742223579 /nfs/dbraw/zinc/22/35/79/742223579.db2.gz ZCZTZSCLEBSMMP-UHFFFAOYSA-N 2 0 359.495 3.028 20 0 FGADRP Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)[C@H]1CCN1C(C)(C)C ZINC000896025112 742483919 /nfs/dbraw/zinc/48/39/19/742483919.db2.gz ZPNXNVONYDAQQB-GOSISDBHSA-N 2 0 361.555 3.355 20 0 FGADRP COC(=O)c1ccc([C@@H](C)[NH2+]CC2(SC)CC[NH+](C)CC2)c(C)c1 ZINC000902992747 743796842 /nfs/dbraw/zinc/79/68/42/743796842.db2.gz LRMNNYQDQNMJOU-OAHLLOKOSA-N 2 0 350.528 3.260 20 0 FGADRP O[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)c1cccc(C(F)(F)F)c1 ZINC000903120590 743809371 /nfs/dbraw/zinc/80/93/71/743809371.db2.gz PTBHQFDKZWUXDU-ONQFOCNCSA-N 2 0 354.416 3.486 20 0 FGADRP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]CC2CCC(S(C)(=O)=O)CC2)CC1 ZINC000903155790 743814080 /nfs/dbraw/zinc/81/40/80/743814080.db2.gz HZIPXIFFXCWWKW-OYGLOCFBSA-N 2 0 370.603 3.223 20 0 FGADRP FC1(F)CC[NH2+]C[C@@H]1C[NH2+]C1CCN(Cc2ccccc2Cl)CC1 ZINC000903956143 743905204 /nfs/dbraw/zinc/90/52/04/743905204.db2.gz HVGBPDRERMBNRC-OAHLLOKOSA-N 2 0 357.876 3.139 20 0 FGADRP [NH3+]C[C@H]1CC2(CO1)CC[NH+](Cc1c(Cl)cccc1N1CCCC1)CC2 ZINC000904390777 743951203 /nfs/dbraw/zinc/95/12/03/743951203.db2.gz CJAFPQCRVLLIMG-MRXNPFEDSA-N 2 0 363.933 3.270 20 0 FGADRP CC1([NH+]2CCC2)CCC([NH2+]C[C@@H](O)COc2ccccc2Cl)CC1 ZINC000905600282 744035776 /nfs/dbraw/zinc/03/57/76/744035776.db2.gz JFYOKZSWVFRIRQ-KOHRHEQBSA-N 2 0 352.906 3.076 20 0 FGADRP CC[NH2+]Cc1ccccc1NC(=O)c1cnc(CC2CC[NH2+]CC2)s1 ZINC000911684349 757204224 /nfs/dbraw/zinc/20/42/24/757204224.db2.gz AZGDELYISQALDJ-UHFFFAOYSA-N 2 0 358.511 3.047 20 0 FGADRP CC(C)[C@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1sccc1Br)C2 ZINC000922386202 758909387 /nfs/dbraw/zinc/90/93/87/758909387.db2.gz DHAHSJZKSZQMLX-RRCSTGOVSA-N 2 0 373.360 3.080 20 0 FGADRP CC(C)[C@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1cccc(Br)c1)C2 ZINC000922390073 758910601 /nfs/dbraw/zinc/91/06/01/758910601.db2.gz XEKMQWTZGUCNLP-BRSBDYLESA-N 2 0 367.331 3.018 20 0 FGADRP CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]Cc3cc(F)c(F)cc3F)C2)[C@H]1C(C)C ZINC000922393591 758912421 /nfs/dbraw/zinc/91/24/21/758912421.db2.gz MCDQQGLWNYCZES-NCXUSEDFSA-N 2 0 356.432 3.063 20 0 FGADRP O=C(Nc1ccc(F)c(Cl)c1)C1CC[NH+](CCC[NH2+]C2CC2)CC1 ZINC000923315562 759099891 /nfs/dbraw/zinc/09/98/91/759099891.db2.gz IIDUMEMSWRPCSW-UHFFFAOYSA-N 2 0 353.869 3.272 20 0 FGADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2C[C@H](O)c2ccc(Cl)cc2Cl)C1 ZINC000923391402 759110224 /nfs/dbraw/zinc/11/02/24/759110224.db2.gz FEMXULDOYJNZIR-ZSGPHXLJSA-N 2 0 373.324 3.388 20 0 FGADRP COC(=O)c1cccc(-c2nc(C[N@@H+]3CC[C@@H](C[NH3+])[C@@H](C)C3)cs2)c1 ZINC000923499501 759131902 /nfs/dbraw/zinc/13/19/02/759131902.db2.gz RQXMHXHEACRJGW-BBRMVZONSA-N 2 0 359.495 3.013 20 0 FGADRP COC(=O)c1cccc(-c2nc(C[N@@H+]3CC[C@@H](C[NH3+])[C@H](C)C3)cs2)c1 ZINC000923499502 759132149 /nfs/dbraw/zinc/13/21/49/759132149.db2.gz RQXMHXHEACRJGW-CJNGLKHVSA-N 2 0 359.495 3.013 20 0 FGADRP CC(C)CC[NH+]1CCC(NCC2([NH+]3CCCCC3)CCOCC2)CC1 ZINC000925387780 759483649 /nfs/dbraw/zinc/48/36/49/759483649.db2.gz QBPGJELCTSTLKI-UHFFFAOYSA-N 2 0 351.579 3.122 20 0 FGADRP [NH3+][C@@H]1C[C@H]([NH2+]C[C@H]2CCN(c3cccc(Br)c3)C2)C12CCC2 ZINC000925561791 759505999 /nfs/dbraw/zinc/50/59/99/759505999.db2.gz FHCPVQWDFZEWGG-XYPHTWIQSA-N 2 0 364.331 3.135 20 0 FGADRP Brc1cnn(C2(C[NH2+][C@@H]3CCC[C@@H]3[C@H]3CCCC[NH2+]3)CC2)c1 ZINC000925838400 759555163 /nfs/dbraw/zinc/55/51/63/759555163.db2.gz MAAHIDLPTHIWBT-BZUAXINKSA-N 2 0 367.335 3.035 20 0 FGADRP C[C@@H]([NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ccccc1C(F)(F)F ZINC000925858188 759561693 /nfs/dbraw/zinc/56/16/93/759561693.db2.gz UGSHVUZBRTYEIK-CHWSQXEVSA-N 2 0 356.388 3.041 20 0 FGADRP C[C@H]([NH2+]CCc1cnc2c(Cl)cnn2c1)c1cccc(C[NH+](C)C)c1 ZINC000926494824 759760932 /nfs/dbraw/zinc/76/09/32/759760932.db2.gz KLRWELWGTBASIT-AWEZNQCLSA-N 2 0 357.889 3.338 20 0 FGADRP CC(C)CC[NH+]1CCC([NH2+]C[C@@H](C)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC000926795068 759822031 /nfs/dbraw/zinc/82/20/31/759822031.db2.gz GSQJUCSORJDYAV-QGZVFWFLSA-N 2 0 366.571 3.294 20 0 FGADRP CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+][C@H]1CCCc3c(Cl)ccnc31)C2 ZINC000926879520 759837011 /nfs/dbraw/zinc/83/70/11/759837011.db2.gz LJLXLLZRMRGDGK-WUOIFLIFSA-N 2 0 363.933 3.182 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCC[C@@H](C(F)(F)F)O2)[C@H](C)C1 ZINC000926915712 759847971 /nfs/dbraw/zinc/84/79/71/759847971.db2.gz LTYCOPNZYQVUBL-QZWWFDLISA-N 2 0 366.468 3.213 20 0 FGADRP C[C@H]([NH2+]C1CCC(C)([NH+]2CCC2)CC1)c1cccc(NS(C)(=O)=O)c1 ZINC000927039955 759881498 /nfs/dbraw/zinc/88/14/98/759881498.db2.gz YRCNDJFUAXZAOO-DMKPSLHHSA-N 2 0 365.543 3.116 20 0 FGADRP CC[N@@H+]1CC[C@@H]([NH+](C)C[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)C2)[C@@H](C)C1 ZINC000930001831 760509283 /nfs/dbraw/zinc/50/92/83/760509283.db2.gz WZFWANIRMFOQSF-XWTMOSNGSA-N 2 0 353.551 3.342 20 0 FGADRP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]([NH2+]Cc3cc(C)sc3C)C2)CC[N@@H+]1C ZINC000999200002 765145618 /nfs/dbraw/zinc/14/56/18/765145618.db2.gz KAJHCHSVLPYZHP-GBESFXJTSA-N 2 0 363.571 3.176 20 0 FGADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[NH+](Cc3ccc(Cl)cc3C)C2)CC[N@@H+]1C ZINC001014507877 765787095 /nfs/dbraw/zinc/78/70/95/765787095.db2.gz LPKHKXRWERDJAC-GBESFXJTSA-N 2 0 363.933 3.069 20 0 FGADRP CC[C@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1)c1ccc(Cl)cc1 ZINC001022103488 765973513 /nfs/dbraw/zinc/97/35/13/765973513.db2.gz HYDVALXSNCMSPH-SFKBXODTSA-N 2 0 363.933 3.368 20 0 FGADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+][C@H](C)c3ccc(Cl)cc3)C2)CC[N@@H+]1C ZINC001022107419 765974321 /nfs/dbraw/zinc/97/43/21/765974321.db2.gz XCCSCBIWSWCQSJ-RBPQIDMKSA-N 2 0 363.933 3.368 20 0 FGADRP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CC[NH+](Cc3cccc(Cl)c3)C2)CC[N@@H+]1C ZINC001028552124 766124612 /nfs/dbraw/zinc/12/46/12/766124612.db2.gz HIJQKOOPVZPWLH-NZSAHSFTSA-N 2 0 363.933 3.008 20 0 FGADRP Cc1[nH+]c2ccccc2c(N2CCN([C@@H](C(N)=O)c3ccccc3)CC2)c1C ZINC000302075321 257383522 /nfs/dbraw/zinc/38/35/22/257383522.db2.gz ISKRQRMCWSYDGX-JOCHJYFZSA-N 2 0 374.488 3.200 20 0 FGADRP C[NH+](C)C1CCC([NH2+]CCC(=O)Nc2cccc(Br)c2)CC1 ZINC000579583173 505580237 /nfs/dbraw/zinc/58/02/37/505580237.db2.gz GTBNNWOGSDABRI-UHFFFAOYSA-N 2 0 368.319 3.240 20 0 FGADRP C[C@H]([NH2+][C@H]1COc2ccccc2C1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000579619889 505588830 /nfs/dbraw/zinc/58/88/30/505588830.db2.gz ILHHIPDQFXOOGE-QFBILLFUSA-N 2 0 369.484 3.232 20 0 FGADRP O[C@@H](C[NH2+]CC(Cc1ccccc1)Cc1ccccc1)C[NH+]1CCCC1 ZINC000576794837 505595930 /nfs/dbraw/zinc/59/59/30/505595930.db2.gz ISXOJAISRLZTFR-QHCPKHFHSA-N 2 0 352.522 3.134 20 0 FGADRP CN(c1ccccc1CN1CC[C@]2(C1)CCC[N@H+](C)C2)C1CC[NH+](C)CC1 ZINC000568049427 505603821 /nfs/dbraw/zinc/60/38/21/505603821.db2.gz AQPBHSXZQSOGDN-HSZRJFAPSA-N 3 0 370.585 3.135 20 0 FGADRP CCN1CCC([NH+]2CCC(C(=O)N3CCC4(CCCC4)CC3)CC2)CC1 ZINC000568106812 505617745 /nfs/dbraw/zinc/61/77/45/505617745.db2.gz XCUOKAQLPUGGLK-UHFFFAOYSA-N 2 0 361.574 3.366 20 0 FGADRP C[NH+](C)CCc1ccc(C(=O)N(CC[NH+](C)C)CC2CCCCC2)cc1 ZINC000568189418 505639156 /nfs/dbraw/zinc/63/91/56/505639156.db2.gz HQLBLTDRLJDPAJ-UHFFFAOYSA-N 2 0 359.558 3.375 20 0 FGADRP CC(C)C[C@H](CNC(=O)[C@H]1CC12CC[NH2+]CC2)[NH2+][C@H](C)c1ccccc1 ZINC000573917201 505650808 /nfs/dbraw/zinc/65/08/08/505650808.db2.gz OTOVXNKOASXYCT-MISYRCLQSA-N 2 0 357.542 3.258 20 0 FGADRP COC(=O)c1cc(C[NH2+]Cc2ccccc2C[NH+]2CCCCC2)cn1C ZINC000571125633 505659015 /nfs/dbraw/zinc/65/90/15/505659015.db2.gz BMHHWKAQUUUCOV-UHFFFAOYSA-N 2 0 355.482 3.087 20 0 FGADRP CCC[N@H+](CC)C[C@@H](C)NCc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000577108557 505665885 /nfs/dbraw/zinc/66/58/85/505665885.db2.gz XWIIBKIMCODDIE-LJQANCHMSA-N 2 0 360.590 3.427 20 0 FGADRP O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000573980778 505666348 /nfs/dbraw/zinc/66/63/48/505666348.db2.gz ZBNRHEPSPXASPR-UXHICEINSA-N 2 0 367.493 3.055 20 0 FGADRP Cc1ccccc1NC(=O)Cc1nc(CN2CC[C@@H](C)[C@H](C[NH3+])C2)cs1 ZINC000580080240 505673928 /nfs/dbraw/zinc/67/39/28/505673928.db2.gz AJCFVFOXMAAXCV-GDBMZVCRSA-N 2 0 372.538 3.049 20 0 FGADRP Cc1ncc2n1C[C@H](C(=O)N[C@@H](C[N@H+](C)Cc1ccccc1)C(C)C)CC2 ZINC000580083217 505674261 /nfs/dbraw/zinc/67/42/61/505674261.db2.gz KTBJCURVHTYQJN-CTNGQTDRSA-N 2 0 368.525 3.027 20 0 FGADRP CCN(Cc1cccc(F)c1)C(=O)C[NH+]1CCC(C[NH+](CC)CC)CC1 ZINC000047973598 493768097 /nfs/dbraw/zinc/76/80/97/493768097.db2.gz XXRKTAFXWHCCSP-UHFFFAOYSA-N 2 0 363.521 3.228 20 0 FGADRP CC[NH+](CC)CC1CC[NH+]([C@@H](C)C(=O)N2CCc3sccc3C2)CC1 ZINC000057847545 493808687 /nfs/dbraw/zinc/80/86/87/493808687.db2.gz OJWSSRMGGMTDDB-INIZCTEOSA-N 2 0 363.571 3.075 20 0 FGADRP C[NH+](C)CCN(C(=O)C1CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000058296882 493842917 /nfs/dbraw/zinc/84/29/17/493842917.db2.gz BZSNQBBVVVJNSO-UHFFFAOYSA-N 2 0 365.521 3.493 20 0 FGADRP CC[NH+](CC)C[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000081333737 493873650 /nfs/dbraw/zinc/87/36/50/493873650.db2.gz LTCLVLOXUPNNRT-LEWJYISDSA-N 2 0 357.542 3.089 20 0 FGADRP C[C@H]1C[NH+](CC2CC[NH+](Cc3ccc(-n4ccnc4)cc3)CC2)C[C@H](C)O1 ZINC000069017161 493907587 /nfs/dbraw/zinc/90/75/87/493907587.db2.gz ZKVFVRNMCWWPDW-OALUTQOASA-N 2 0 368.525 3.194 20 0 FGADRP C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[NH+]3C2)CC1 ZINC000081654509 493938624 /nfs/dbraw/zinc/93/86/24/493938624.db2.gz DDFLRHGCYPQEOH-YADHBBJMSA-N 2 0 369.553 3.231 20 0 FGADRP C[N@@H+]1CCN(CCC[NH2+]Cc2ccc3c(n2)CCC3)[C@H](c2ccccc2)C1 ZINC000580165071 505692993 /nfs/dbraw/zinc/69/29/93/505692993.db2.gz UBPGROTUOGDODK-QHCPKHFHSA-N 2 0 364.537 3.039 20 0 FGADRP Cc1ccccc1C[NH+]1CCC(NC(=O)N2CCC[N@@H+](C(C)C)CC2)CC1 ZINC000069766610 494008873 /nfs/dbraw/zinc/00/88/73/494008873.db2.gz OZTYFILTAHRSQK-UHFFFAOYSA-N 2 0 372.557 3.085 20 0 FGADRP C[N@H+](Cc1ccccc1CNC(=O)N[C@H]1CCC[NH+](C)C1)C1CCCCC1 ZINC000052559844 494040132 /nfs/dbraw/zinc/04/01/32/494040132.db2.gz IWYXDZWJGXBLOB-FQEVSTJZSA-N 2 0 372.557 3.345 20 0 FGADRP Cc1c2cc(F)ccc2oc1C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000052818895 494065063 /nfs/dbraw/zinc/06/50/63/494065063.db2.gz WIUYDRSOACBANE-UHFFFAOYSA-N 2 0 363.477 3.226 20 0 FGADRP C[C@H](NC(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1)C(C)(C)C[NH+](C)C ZINC000085358853 494116591 /nfs/dbraw/zinc/11/65/91/494116591.db2.gz DPZUQMRDMQURSB-HKUYNNGSSA-N 2 0 360.546 3.099 20 0 FGADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000085366860 494117313 /nfs/dbraw/zinc/11/73/13/494117313.db2.gz NJKBRVNMZYYPBB-KRWDZBQOSA-N 2 0 362.562 3.256 20 0 FGADRP C[C@@H]1C[C@H]([NH3+])CCN1Cc1cnn(Cc2ccc(C(F)(F)F)cc2)c1 ZINC000571295145 505700842 /nfs/dbraw/zinc/70/08/42/505700842.db2.gz PTXXUFOJMHYANS-CXAGYDPISA-N 2 0 352.404 3.262 20 0 FGADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N1CCC(C[NH+](C)C(C)C)CC1 ZINC000077644951 494131209 /nfs/dbraw/zinc/13/12/09/494131209.db2.gz LSOLXSRXCXSETJ-LJQANCHMSA-N 2 0 352.567 3.013 20 0 FGADRP Cc1ccc([C@@H](CNC(=O)NCCC[NH2+]C2CCCCC2)[NH+](C)C)cc1 ZINC000065476827 494202676 /nfs/dbraw/zinc/20/26/76/494202676.db2.gz GJKLLVCAOBJPDE-HXUWFJFHSA-N 2 0 360.546 3.209 20 0 FGADRP CCC[N@@H+]1CC[C@H](CNC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000054509978 494242014 /nfs/dbraw/zinc/24/20/14/494242014.db2.gz DDLIGDJJIOQXJY-OAQYLSRUSA-N 2 0 372.557 3.204 20 0 FGADRP Cc1c[nH+]ccc1N1CCC(C(=O)NC[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000072796786 494252060 /nfs/dbraw/zinc/25/20/60/494252060.db2.gz VVFBOKQSVSKOCE-NRFANRHFSA-N 2 0 366.509 3.026 20 0 FGADRP CCC[NH+]1CCC(N(C)C(=O)NCC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000066187964 494285672 /nfs/dbraw/zinc/28/56/72/494285672.db2.gz RAOVEMBGTNTGQY-HDICACEKSA-N 2 0 366.594 3.259 20 0 FGADRP C[C@H](C[NH+]1CCCCC1)NC(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000078559865 494320283 /nfs/dbraw/zinc/32/02/83/494320283.db2.gz VYBHFLTYMWVSKB-IAGOWNOFSA-N 2 0 364.559 3.059 20 0 FGADRP Cc1c[nH+]ccc1N1CCC(C(=O)N(C)CC[N@H+](C)C2CCCCC2)CC1 ZINC000073104926 494322745 /nfs/dbraw/zinc/32/27/45/494322745.db2.gz RVMFUOCFLZISSQ-UHFFFAOYSA-N 2 0 372.557 3.329 20 0 FGADRP CC[NH+](CC)[C@H](C(=O)NCCC[NH+](C)C)c1cccc(C(F)(F)F)c1 ZINC000073154121 494330605 /nfs/dbraw/zinc/33/06/05/494330605.db2.gz APSPEGHAQGQCIM-INIZCTEOSA-N 2 0 359.436 3.156 20 0 FGADRP CC[NH+](CC)[C@@H](C(=O)NCCC[NH+](C)C)c1cccc(C(F)(F)F)c1 ZINC000073154125 494330675 /nfs/dbraw/zinc/33/06/75/494330675.db2.gz APSPEGHAQGQCIM-MRXNPFEDSA-N 2 0 359.436 3.156 20 0 FGADRP CC[NH+](CC)Cc1ccccc1CNC(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000045184813 494404470 /nfs/dbraw/zinc/40/44/70/494404470.db2.gz JHUKUCVVEKAXIQ-UHFFFAOYSA-N 2 0 372.557 3.298 20 0 FGADRP CC[C@H](Cc1ccccc1)[NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000090038537 494431356 /nfs/dbraw/zinc/43/13/56/494431356.db2.gz YAMNWZXMXCLZQS-OAQYLSRUSA-N 2 0 353.510 3.089 20 0 FGADRP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H](C)C1)C(=O)NCC(F)(F)F ZINC000079303714 494433564 /nfs/dbraw/zinc/43/35/64/494433564.db2.gz AEHJIOBGJZHYCO-GJZGRUSLSA-N 2 0 371.447 3.075 20 0 FGADRP CCCC[N@H+](C)CC1CC[NH+]([C@@H](C)C(=O)NCc2cccs2)CC1 ZINC000066960888 494446493 /nfs/dbraw/zinc/44/64/93/494446493.db2.gz SQQPFMORHQBGCA-INIZCTEOSA-N 2 0 351.560 3.197 20 0 FGADRP C[NH2+]C[C@H]1CCCN1C(=O)Nc1cccc(-c2ncc3n2CCCC3)c1 ZINC000580290969 505724203 /nfs/dbraw/zinc/72/42/03/505724203.db2.gz VELDQOIIBDOUAK-QGZVFWFLSA-N 2 0 353.470 3.102 20 0 FGADRP O[C@H]1C[C@H](CNC2CC[NH+](C3CCCCC3)CC2)[N@H+](Cc2ccccc2)C1 ZINC000090914209 494503597 /nfs/dbraw/zinc/50/35/97/494503597.db2.gz BHZVYALTZFRRTD-PKTZIBPZSA-N 2 0 371.569 3.009 20 0 FGADRP C[C@@H](C(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1)[NH+]1CCCCCC1 ZINC000074249908 494503858 /nfs/dbraw/zinc/50/38/58/494503858.db2.gz TUCHEROKCVMJQS-ZWKOTPCHSA-N 2 0 363.571 3.341 20 0 FGADRP CN(C(=O)c1ccc(C[NH+](C)C)cc1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000074447603 494539318 /nfs/dbraw/zinc/53/93/18/494539318.db2.gz KSTZNSXOJXYQQR-JOCHJYFZSA-N 2 0 365.521 3.485 20 0 FGADRP C[C@@H](CNC(=O)NC1CC[NH+](Cc2ccccc2)CC1)[NH+]1CCC(C)CC1 ZINC000067507514 494555109 /nfs/dbraw/zinc/55/51/09/494555109.db2.gz PYBDBPUYWWEUQR-IBGZPJMESA-N 2 0 372.557 3.071 20 0 FGADRP CC(C)[NH+]1CCC(NC(=O)NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000067570991 494570491 /nfs/dbraw/zinc/57/04/91/494570491.db2.gz LSZQNCSSZPOQGU-HXUWFJFHSA-N 2 0 372.557 3.071 20 0 FGADRP CC(C)[NH+](CCNC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)C(C)C ZINC000080055567 494577662 /nfs/dbraw/zinc/57/76/62/494577662.db2.gz SHLIEIQVHQUJBG-PZJWPPBQSA-N 2 0 374.573 3.458 20 0 FGADRP CCC[NH+]1CCC(NC(=O)N2CCC(C[NH+]3CCCCCC3)CC2)CC1 ZINC000074710533 494578917 /nfs/dbraw/zinc/57/89/17/494578917.db2.gz TXWVBVBFULRXGO-UHFFFAOYSA-N 2 0 364.578 3.158 20 0 FGADRP C[NH+](C)CCNC(=O)c1ccc(C[NH2+][C@H](c2ccccc2)C2CC2)cc1 ZINC000091375268 494590587 /nfs/dbraw/zinc/59/05/87/494590587.db2.gz IUNZFQNMLWUJCH-OAQYLSRUSA-N 2 0 351.494 3.219 20 0 FGADRP Cc1ccc([C@H](CNC(=O)NCc2ccc(C[NH+](C)C)cc2)[NH+](C)C)cc1 ZINC000067705646 494616481 /nfs/dbraw/zinc/61/64/81/494616481.db2.gz WCEUUQSSGUFZTH-NRFANRHFSA-N 2 0 368.525 3.159 20 0 FGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H]2CCCOc3c(Cl)cccc32)CC1 ZINC000121161423 494623986 /nfs/dbraw/zinc/62/39/86/494623986.db2.gz SUTNNXIFOYDVAJ-APWZRJJASA-N 2 0 365.949 3.417 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1CCNC(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000067773240 494643367 /nfs/dbraw/zinc/64/33/67/494643367.db2.gz POCLACBOANKHFD-LJQANCHMSA-N 2 0 372.557 3.072 20 0 FGADRP Cc1cc2cc(C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)oc2cc1C ZINC000080245351 494649699 /nfs/dbraw/zinc/64/96/99/494649699.db2.gz FZNVNMNLRKMCHE-UHFFFAOYSA-N 2 0 359.514 3.395 20 0 FGADRP C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+]CC1CC[NH+](C)CC1 ZINC000126174189 494661113 /nfs/dbraw/zinc/66/11/13/494661113.db2.gz ABPIJKFWYLYAHR-ZDUSSCGKSA-N 2 0 368.319 3.098 20 0 FGADRP CC[NH+](CC)CCOC1CC[NH+](Cc2cnn(-c3ccccc3)c2)CC1 ZINC000075007437 494672823 /nfs/dbraw/zinc/67/28/23/494672823.db2.gz HVXMXHUJCNNCAN-UHFFFAOYSA-N 2 0 356.514 3.195 20 0 FGADRP C[C@H]1C[NH+](CC2CC[NH+](CC3=Cc4ccccc4OC3)CC2)C[C@H](C)O1 ZINC000092587318 494677345 /nfs/dbraw/zinc/67/73/45/494677345.db2.gz ZJPDUNQPTCPQNO-ROUUACIJSA-N 2 0 356.510 3.284 20 0 FGADRP C[N@@H+]1CCC[C@H](CNC(=O)NCC2([NH3+])CCCCC2)[C@H]1c1cccs1 ZINC000568608525 505735589 /nfs/dbraw/zinc/73/55/89/505735589.db2.gz DLYUKVOIVNGIPG-WBVHZDCISA-N 2 0 364.559 3.092 20 0 FGADRP C[C@H]1CCC[C@@H](C[NH+]2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)C1 ZINC000092797399 494754330 /nfs/dbraw/zinc/75/43/30/494754330.db2.gz VHBOASLCSABTLX-ZWKOTPCHSA-N 2 0 351.579 3.229 20 0 FGADRP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCC[C@H](Cn2ccnn2)C1 ZINC000092070478 494778280 /nfs/dbraw/zinc/77/82/80/494778280.db2.gz DLTXJJYWPXJMBA-FQEVSTJZSA-N 2 0 355.530 3.148 20 0 FGADRP CC(C)[NH+](CCCNC(=O)N1CCC(C[N@@H+](C)C(C)C)CC1)C(C)C ZINC000080729059 494778456 /nfs/dbraw/zinc/77/84/56/494778456.db2.gz ZQJJVVBHWKHSIA-UHFFFAOYSA-N 2 0 354.583 3.257 20 0 FGADRP CCC[NH+]1CCC(CNC(=O)N[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC000131957119 494784695 /nfs/dbraw/zinc/78/46/95/494784695.db2.gz YKFIXURDBOHBKK-NQIIRXRSSA-N 2 0 372.557 3.071 20 0 FGADRP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)NCC[NH+]2CCC(C)CC2)CC1 ZINC000116529473 494808855 /nfs/dbraw/zinc/80/88/55/494808855.db2.gz REFDCRRUTYFOSD-IBGZPJMESA-N 2 0 372.557 3.243 20 0 FGADRP Cc1cc(Cl)c2c(c1)[C@@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)CCCO2 ZINC000126664561 494814702 /nfs/dbraw/zinc/81/47/02/494814702.db2.gz IYOVGROIYWHBAP-IBGZPJMESA-N 2 0 365.949 3.479 20 0 FGADRP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccc(-c4ccc(C)cc4)o3)C2)CC1 ZINC000093133258 494829900 /nfs/dbraw/zinc/82/99/00/494829900.db2.gz IQOGSNSEEPVPOS-HXUWFJFHSA-N 2 0 353.510 3.467 20 0 FGADRP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3cnc(-c4ccsc4)s3)C2)CC1 ZINC000093132991 494830451 /nfs/dbraw/zinc/83/04/51/494830451.db2.gz CRWBVVVWJSNQOQ-INIZCTEOSA-N 2 0 362.568 3.083 20 0 FGADRP CC(C)[C@@H](C[NH2+][C@@H](C)c1cccc(OC(F)F)c1)N1CC[NH+](C)CC1 ZINC000132361129 494862422 /nfs/dbraw/zinc/86/24/22/494862422.db2.gz URNPBCXOBXCUEW-MAUKXSAKSA-N 2 0 355.473 3.211 20 0 FGADRP CC(C)C[C@H]1COCC[N@@H+]1Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000093340198 494873732 /nfs/dbraw/zinc/87/37/32/494873732.db2.gz BNXRRTAWSZYWQH-NRFANRHFSA-N 2 0 359.558 3.464 20 0 FGADRP COc1ccc(C[NH+]2CCC(CCC[NH+](C)C)CC2)c(OC)c1OC ZINC000093688422 494912144 /nfs/dbraw/zinc/91/21/44/494912144.db2.gz SVSYFAFJEKYFFU-UHFFFAOYSA-N 2 0 350.503 3.266 20 0 FGADRP COc1cc(OC)c(C[NH+]2CCC(CCC[NH+](C)C)CC2)c(OC)c1 ZINC000093688608 494912339 /nfs/dbraw/zinc/91/23/39/494912339.db2.gz DYRGGUJEBYMNCP-UHFFFAOYSA-N 2 0 350.503 3.266 20 0 FGADRP C[C@H]1C[NH+](CCC2CC[NH+](Cc3cnn(C(C)(C)C)c3)CC2)C[C@H](C)O1 ZINC000093844473 494927284 /nfs/dbraw/zinc/92/72/84/494927284.db2.gz JCISQVUVTUZFMZ-ROUUACIJSA-N 2 0 362.562 3.349 20 0 FGADRP C[C@@H](CS(=O)(=O)c1ccccc1)[NH2+]CCCC[N@@H+]1CCCC[C@@H]1C ZINC000122131840 494929210 /nfs/dbraw/zinc/92/92/10/494929210.db2.gz QUESMYGXIZZPRE-ROUUACIJSA-N 2 0 352.544 3.093 20 0 FGADRP COc1cccc(C[C@H]([NH2+]C[C@H](C)N2CC[NH+](C)CC2)c2ccccc2)c1 ZINC000127414743 494941456 /nfs/dbraw/zinc/94/14/56/494941456.db2.gz QRDWHYJSYYLUAY-CVDCTZTESA-N 2 0 367.537 3.205 20 0 FGADRP CC(C)[C@@H](CNCc1ccccc1N(C)C1CC[NH+](C)CC1)[NH+]1CCCC1 ZINC000132913526 494942122 /nfs/dbraw/zinc/94/21/22/494942122.db2.gz RHQYQXQTKPZZKF-HSZRJFAPSA-N 2 0 372.601 3.427 20 0 FGADRP C[C@@H](CCCOc1ccccc1C(N)=O)[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000122234387 494944305 /nfs/dbraw/zinc/94/43/05/494944305.db2.gz SAIHCYHQPYAKMD-INIZCTEOSA-N 2 0 361.530 3.186 20 0 FGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H]2CCCOc3cc4c(cc32)CCC4)CC1 ZINC000122252164 494947285 /nfs/dbraw/zinc/94/72/85/494947285.db2.gz AMLGTIJJGJGKBH-XMSQKQJNSA-N 2 0 371.569 3.252 20 0 FGADRP C[C@H]([NH2+]C[C@H](C)N1CC[NH+](C)CC1)c1cc(Cl)ccc1OC(F)F ZINC000127698694 494983343 /nfs/dbraw/zinc/98/33/43/494983343.db2.gz CCRZSLXCHPSKKM-STQMWFEESA-N 2 0 361.864 3.228 20 0 FGADRP C[C@@H](C[NH2+][C@@H]1CCCOc2c(Cl)c(Cl)ccc21)N1CC[NH+](C)CC1 ZINC000127709182 494985099 /nfs/dbraw/zinc/98/50/99/494985099.db2.gz FUBUKBLRYGFRHD-XJKSGUPXSA-N 2 0 372.340 3.433 20 0 FGADRP CCCCOc1ccc([C@@H](C)[NH2+]C[C@H](C)N2CC[NH+](C)CC2)cc1OC ZINC000127750542 494991885 /nfs/dbraw/zinc/99/18/85/494991885.db2.gz PMXOSTKPQJHAGT-ZWKOTPCHSA-N 2 0 363.546 3.161 20 0 FGADRP CCOc1ccc([C@@H](CC)[NH2+]C[C@@H](C)N2CC[NH+](C)CC2)cc1OCC ZINC000127757019 494993415 /nfs/dbraw/zinc/99/34/15/494993415.db2.gz GHZGBGARXIETAP-IEBWSBKVSA-N 2 0 363.546 3.161 20 0 FGADRP CC(C)[NH+]1CCC(NC(=O)[C@H](C)[NH+]2CCC(Cc3ccccc3)CC2)CC1 ZINC000110608332 494994140 /nfs/dbraw/zinc/99/41/40/494994140.db2.gz FTBNTUFDRHAXBW-IBGZPJMESA-N 2 0 371.569 3.319 20 0 FGADRP C[C@@H](C(=O)N1CC[C@H]([NH+]2CCCC2)C1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000110690521 495000825 /nfs/dbraw/zinc/00/08/25/495000825.db2.gz ORUUHUSPKVFIFQ-UGKGYDQZSA-N 2 0 369.553 3.026 20 0 FGADRP CC[C@@H]([NH2+]C[C@@H](C)N1CC[NH+](C)CC1)c1ccccc1Br ZINC000127858832 495009200 /nfs/dbraw/zinc/00/92/00/495009200.db2.gz FQVFOSOPUKHRGA-RHSMWYFYSA-N 2 0 354.336 3.126 20 0 FGADRP CCC[NH+]1CCC(C[NH2+][C@@H](C)c2ccc(NS(=O)(=O)CC)cc2)CC1 ZINC000122746421 495024441 /nfs/dbraw/zinc/02/44/41/495024441.db2.gz MEMUQXLGKDIHJO-INIZCTEOSA-N 2 0 367.559 3.221 20 0 FGADRP CCC[N@@H+]1CC[C@@H](CNC(=O)N2CCC[NH+](CC3CCCCC3)CC2)C1 ZINC000097175771 495027631 /nfs/dbraw/zinc/02/76/31/495027631.db2.gz IEZBXKQFNDLSPU-FQEVSTJZSA-N 2 0 364.578 3.016 20 0 FGADRP C[NH+]1CCC(N2CCC([NH2+]Cc3cccn3Cc3cccs3)CC2)CC1 ZINC000118951928 495056105 /nfs/dbraw/zinc/05/61/05/495056105.db2.gz PHUCHLSIJOPZCF-UHFFFAOYSA-N 2 0 372.582 3.246 20 0 FGADRP Cc1ccc([C@@H](CNC(=O)c2ccc(C[NH+](C)C)cc2)[NH+]2CCCC2)o1 ZINC000101527319 495071770 /nfs/dbraw/zinc/07/17/70/495071770.db2.gz DMWHBEOLJCSVPE-LJQANCHMSA-N 2 0 355.482 3.217 20 0 FGADRP C[NH+](C)CCc1ccc(C(=O)NC(C)(C)C[N@H+](C)Cc2ccccc2)cc1 ZINC000571535593 505757263 /nfs/dbraw/zinc/75/72/63/505757263.db2.gz RNNGTSNBFSLPSO-UHFFFAOYSA-N 2 0 367.537 3.431 20 0 FGADRP C[C@H]1C[C@H](C)C[NH+](C(C)(C)C[NH2+]C2CCN(C(=O)c3ccco3)CC2)C1 ZINC000134122225 495109172 /nfs/dbraw/zinc/10/91/72/495109172.db2.gz MJXRIUXJFGJTTJ-IRXDYDNUSA-N 2 0 361.530 3.230 20 0 FGADRP CC(C)[NH2+]C1CCN(C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)CC1 ZINC000111801060 495112923 /nfs/dbraw/zinc/11/29/23/495112923.db2.gz RUJNHWSYGGBBTO-KRWDZBQOSA-N 2 0 364.559 3.057 20 0 FGADRP CCC[NH+]1CCC(CNC(=O)NC[C@H](c2ccc(C)cc2)[NH+](C)C)CC1 ZINC000102005437 495114272 /nfs/dbraw/zinc/11/42/72/495114272.db2.gz FBDDQHKUHDKIBZ-HXUWFJFHSA-N 2 0 360.546 3.019 20 0 FGADRP C[C@@H](C(=O)N[C@H]1CCOc2ccccc21)[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123408800 495127799 /nfs/dbraw/zinc/12/77/99/495127799.db2.gz UWSAQFMDAXAJFI-PXNSSMCTSA-N 2 0 373.541 3.069 20 0 FGADRP C[NH+](C)Cc1ccc(NC(=O)c2ccc3c(ccn3CCC[NH3+])c2)cc1 ZINC000577606658 505763077 /nfs/dbraw/zinc/76/30/77/505763077.db2.gz FNCFFEGGUFPDIP-UHFFFAOYSA-N 2 0 350.466 3.304 20 0 FGADRP C[C@H]1C[C@H]([NH2+]C[C@H](O)c2cccc(OCc3ccccc3)c2)CC[N@@H+]1C ZINC000123633476 495163435 /nfs/dbraw/zinc/16/34/35/495163435.db2.gz BCEHNENLPBYUSN-WEYGHZABSA-N 2 0 354.494 3.371 20 0 FGADRP C[C@H]1C[C@H]([NH3+])CCN1Cc1ccnc(-c2ccc(Br)cc2)n1 ZINC000574410304 505766986 /nfs/dbraw/zinc/76/69/86/505766986.db2.gz FXWPQKKCTXMBSL-SWLSCSKDSA-N 2 0 361.287 3.218 20 0 FGADRP C[C@H](C[NH+]1CCCCC1)NC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000103305521 495217004 /nfs/dbraw/zinc/21/70/04/495217004.db2.gz SZNGRIMQVAHDES-WOJBJXKFSA-N 2 0 364.578 3.158 20 0 FGADRP C[NH+](C)CCCN(CCC[NH+](C)C)Cc1ccc(Br)c(F)c1 ZINC000580483560 505768725 /nfs/dbraw/zinc/76/87/25/505768725.db2.gz KPCHKKXIXSDCAC-UHFFFAOYSA-N 2 0 374.342 3.294 20 0 FGADRP C[N@@H+]1CCC[C@H](CNC(=O)NCc2ccccc2C[NH+]2CCCCCC2)C1 ZINC000112749881 495236278 /nfs/dbraw/zinc/23/62/78/495236278.db2.gz NZTPKQUPUMEMMB-LJQANCHMSA-N 2 0 372.557 3.204 20 0 FGADRP CC1CC[NH+](CC(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000119967520 495279202 /nfs/dbraw/zinc/27/92/02/495279202.db2.gz OEMXTDXDARIEKW-TZIWHRDSSA-N 2 0 357.542 3.230 20 0 FGADRP CSc1ccc([C@@H](C)[NH2+]CC2CC[NH+](CCN(C)C)CC2)cc1F ZINC000124392113 495280117 /nfs/dbraw/zinc/28/01/17/495280117.db2.gz DAVKPDCZWMZUKX-OAHLLOKOSA-N 2 0 353.551 3.472 20 0 FGADRP C[NH+](C)CC1CCC(NC(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000120068270 495300090 /nfs/dbraw/zinc/30/00/90/495300090.db2.gz GNRYTYQYVNVDHG-XVAXZDLZSA-N 2 0 372.557 3.071 20 0 FGADRP CCn1cc([C@@H](C)[NH2+]Cc2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)cn1 ZINC000124572151 495309657 /nfs/dbraw/zinc/30/96/57/495309657.db2.gz PFHARKOCGOXPET-FGTMMUONSA-N 2 0 356.514 3.363 20 0 FGADRP C[C@H]([NH2+]C(C)(C)CNC(=O)NCCC1CC[NH+](C)CC1)c1ccccc1 ZINC000113615061 495321240 /nfs/dbraw/zinc/32/12/40/495321240.db2.gz LCRQPTSCVJKAFJ-KRWDZBQOSA-N 2 0 360.546 3.147 20 0 FGADRP C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)NCC3CC[NH+](C)CC3)cc2)C1 ZINC000105113327 495337938 /nfs/dbraw/zinc/33/79/38/495337938.db2.gz CMEHUFCPIDZTNU-SFHVURJKSA-N 2 0 372.557 3.060 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1)c1ccco1 ZINC000105198897 495344532 /nfs/dbraw/zinc/34/45/32/495344532.db2.gz MPOHUBYYIULLPX-ZWKOTPCHSA-N 2 0 364.534 3.082 20 0 FGADRP C[C@@H]1CCN(C(=O)C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c2ccccc2S1 ZINC000574452637 505777002 /nfs/dbraw/zinc/77/70/02/505777002.db2.gz GTFDRTFNGCUREY-KURKYZTESA-N 2 0 373.566 3.225 20 0 FGADRP CC[N@H+](CCNC(=O)NC1CCC([NH+]2CCC(C)CC2)CC1)C(C)C ZINC000124988712 495375004 /nfs/dbraw/zinc/37/50/04/495375004.db2.gz TXUSAPVJFYATPV-UHFFFAOYSA-N 2 0 352.567 3.059 20 0 FGADRP CC[NH+](CC)Cc1ccc(CNC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)cc1 ZINC000136574468 495388124 /nfs/dbraw/zinc/38/81/24/495388124.db2.gz HAQJISBJNMJODU-RTWAWAEBSA-N 2 0 372.557 3.154 20 0 FGADRP Cc1nccn1CCCC[NH+]1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000125086744 495388437 /nfs/dbraw/zinc/38/84/37/495388437.db2.gz VEQDQYVEGKQTLW-RTBURBONSA-N 2 0 362.562 3.183 20 0 FGADRP COc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000130525528 495405440 /nfs/dbraw/zinc/40/54/40/495405440.db2.gz RIORVUYSGZLOQG-NRFANRHFSA-N 2 0 366.509 3.009 20 0 FGADRP CC[N@@H+]1CC[C@H]([NH2+]CCCC[NH+]2CCN(c3cccc(C)c3)CC2)[C@H](C)C1 ZINC000125326634 495426986 /nfs/dbraw/zinc/42/69/86/495426986.db2.gz SILJVOLGSNXUBW-GGAORHGYSA-N 3 0 372.601 3.217 20 0 FGADRP COc1ccc([C@@H](O)C[NH2+][C@H](C)c2ccc(OCC[NH+](C)C)cc2)cc1 ZINC000125355967 495430764 /nfs/dbraw/zinc/43/07/64/495430764.db2.gz IRLDLSPOXAMQSL-IERDGZPVSA-N 2 0 358.482 3.020 20 0 FGADRP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)N2CCC([NH+]3CCC[C@@H]3C)CC2)C1 ZINC000130738334 495437796 /nfs/dbraw/zinc/43/77/96/495437796.db2.gz LJSLIOMMYJUSBT-OALUTQOASA-N 2 0 364.578 3.013 20 0 FGADRP C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]CCC1CC[NH+](C)CC1 ZINC000125420833 495441557 /nfs/dbraw/zinc/44/15/57/495441557.db2.gz NFZWNDFSIPAQDE-MRXNPFEDSA-N 2 0 365.949 3.399 20 0 FGADRP O=C(CC[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1)Nc1ccccc1C(F)(F)F ZINC000137588609 495446321 /nfs/dbraw/zinc/44/63/21/495446321.db2.gz FPKZUGLUGLXSNO-OAHLLOKOSA-N 2 0 369.431 3.452 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000138120031 495455051 /nfs/dbraw/zinc/45/50/51/495455051.db2.gz FQUGFIRAXFLLQZ-LMDPOFIKSA-N 2 0 352.567 3.061 20 0 FGADRP C[C@H](C[NH2+][C@H]1CCCOc2ccc(Cl)cc21)CN1CC[NH+](C)CC1 ZINC000120809170 495462536 /nfs/dbraw/zinc/46/25/36/495462536.db2.gz HJWASUSYZKVFMO-QAPCUYQASA-N 2 0 351.922 3.027 20 0 FGADRP Cc1ccc([C@H](CNC(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)[NH+]2CCCC2)o1 ZINC000106554535 495468437 /nfs/dbraw/zinc/46/84/37/495468437.db2.gz MWSOCOQUWYZZBB-MJGOQNOKSA-N 2 0 374.529 3.041 20 0 FGADRP CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+]C[C@@H](C)C[NH+]2CCCCC2)cc1 ZINC000125615161 495472023 /nfs/dbraw/zinc/47/20/23/495472023.db2.gz JGLBIVCHKFPWKN-IAGOWNOFSA-N 2 0 367.559 3.221 20 0 FGADRP C[C@H](C[NH2+][C@H](C)c1ccc(F)cc1Br)CN1CC[NH+](C)CC1 ZINC000120871735 495475955 /nfs/dbraw/zinc/47/59/55/495475955.db2.gz LVMOEYZHUUCPHQ-ZIAGYGMSSA-N 2 0 372.326 3.122 20 0 FGADRP COc1cc(OC)cc([C@@H](O)C[NH2+][C@@H](C)c2ccc(-n3ccnc3)cc2)c1 ZINC000131017087 495479579 /nfs/dbraw/zinc/47/95/79/495479579.db2.gz SNPHHQUPSHPERU-BTYIYWSLSA-N 2 0 367.449 3.274 20 0 FGADRP COc1ccc2cc([C@@H](C)[NH2+]C[C@@H](C)CN3CC[NH+](C)CC3)ccc2c1 ZINC000121062921 495516244 /nfs/dbraw/zinc/51/62/44/495516244.db2.gz NCLVNNNZVBYARU-QZTJIDSGSA-N 2 0 355.526 3.383 20 0 FGADRP CCCN(Cc1ccc(C)cc1)C(=O)C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000580564646 505787056 /nfs/dbraw/zinc/78/70/56/505787056.db2.gz CQJZGOQLKQTCLQ-NRFANRHFSA-N 2 0 357.542 3.055 20 0 FGADRP CN(C)[C@H](C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1)c1ccccc1 ZINC000144147816 495542057 /nfs/dbraw/zinc/54/20/57/495542057.db2.gz FEESNRDVLVROSP-MJGOQNOKSA-N 2 0 357.523 3.304 20 0 FGADRP C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000176264097 495569129 /nfs/dbraw/zinc/56/91/29/495569129.db2.gz LLDPWCNVCBJFSH-ZWKOTPCHSA-N 2 0 364.578 3.203 20 0 FGADRP CC[NH+]1CCN(CCC[NH2+][C@@H](COC)c2cccc(C(F)(F)F)c2)CC1 ZINC000154288611 495569813 /nfs/dbraw/zinc/56/98/13/495569813.db2.gz VKMTUEALYNWIHA-SFHVURJKSA-N 2 0 373.463 3.010 20 0 FGADRP CC[C@@H]([NH2+]CCCN1CC[NH+](CC)CC1)c1ccccc1OC(F)F ZINC000154301576 495574342 /nfs/dbraw/zinc/57/43/42/495574342.db2.gz SWMGZZQOJDLXJH-QGZVFWFLSA-N 2 0 355.473 3.356 20 0 FGADRP CC[C@@H]([NH2+]CCCN1CC[NH+](CC)CC1)c1ccc(OC(F)F)cc1 ZINC000154313303 495577871 /nfs/dbraw/zinc/57/78/71/495577871.db2.gz CCVMAXNNXATUMJ-GOSISDBHSA-N 2 0 355.473 3.356 20 0 FGADRP CC[NH+]1CCN(CCC[NH2+][C@@H](C)c2ccc(F)cc2OC(F)F)CC1 ZINC000154320835 495579912 /nfs/dbraw/zinc/57/99/12/495579912.db2.gz AJOFKGVHYKRVMU-AWEZNQCLSA-N 2 0 359.436 3.105 20 0 FGADRP C[N@@H+]1CCC[C@H]2CN(Cc3cccc(C(=O)N4CCCCC4)c3)CC[C@@H]21 ZINC000158772806 495586490 /nfs/dbraw/zinc/58/64/90/495586490.db2.gz HITLBRSBWUIGKS-SFTDATJTSA-N 2 0 355.526 3.229 20 0 FGADRP C[C@H]([NH2+]CC1CCN(c2cc[nH+]cc2)CC1)c1ccc(-n2cncn2)cc1 ZINC000179469193 495603660 /nfs/dbraw/zinc/60/36/60/495603660.db2.gz MGNAEJHLEAOKKI-KRWDZBQOSA-N 2 0 362.481 3.230 20 0 FGADRP COc1cc(OC)c([C@H](C)[NH2+]CCCC[NH+]2CCN(C)CC2)cc1Cl ZINC000154424309 495612811 /nfs/dbraw/zinc/61/28/11/495612811.db2.gz QVTYVQBQRVQCBO-HNNXBMFYSA-N 2 0 369.937 3.035 20 0 FGADRP CCC[NH+]1CCC(CNC(=O)N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)CC1 ZINC000182575368 495622661 /nfs/dbraw/zinc/62/26/61/495622661.db2.gz PTWXBUUHRQSWDT-IEBWSBKVSA-N 2 0 364.578 3.061 20 0 FGADRP CC(C)N(CC[NH+](C)C)C(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000158983976 495630366 /nfs/dbraw/zinc/63/03/66/495630366.db2.gz OQHPYPOCZQPTRX-GOSISDBHSA-N 2 0 360.546 3.194 20 0 FGADRP CC[NH+]1CCC(CCNC(=O)NC2CC[NH+](C3CCCCC3)CC2)CC1 ZINC000176413793 495642367 /nfs/dbraw/zinc/64/23/67/495642367.db2.gz AFUBMMCMVAHIBN-UHFFFAOYSA-N 2 0 364.578 3.205 20 0 FGADRP CCN1CC[NH+](CCCC[NH2+][C@@H](C)c2cc(Cl)ccc2OC)CC1 ZINC000154531848 495644744 /nfs/dbraw/zinc/64/47/44/495644744.db2.gz FKEDSLITWYCXRX-INIZCTEOSA-N 2 0 353.938 3.417 20 0 FGADRP C[C@H](CCNC(=O)N(CC[NH+](C)C)Cc1ccccc1)[NH+]1CCCCC1 ZINC000182692829 495666046 /nfs/dbraw/zinc/66/60/46/495666046.db2.gz QYRKOCNJEVURAK-LJQANCHMSA-N 2 0 360.546 3.024 20 0 FGADRP C[C@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)c1ccc(Cl)s1 ZINC000159143102 495669837 /nfs/dbraw/zinc/66/98/37/495669837.db2.gz GACCTGSNNLITBL-ZDUSSCGKSA-N 2 0 350.919 3.399 20 0 FGADRP COc1ccc(C)cc1[C@@H](C)[NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000159159014 495672365 /nfs/dbraw/zinc/67/23/65/495672365.db2.gz JATZPYJBZNJRAX-QGZVFWFLSA-N 2 0 354.498 3.001 20 0 FGADRP CC(C)Oc1ccc([C@H](C)[NH2+]Cc2ccnc(N3CC[NH+](C)CC3)c2)cc1 ZINC000159183912 495679113 /nfs/dbraw/zinc/67/91/13/495679113.db2.gz BZIMTNCBPULVTO-SFHVURJKSA-N 2 0 368.525 3.471 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccsc1 ZINC000173823428 495708225 /nfs/dbraw/zinc/70/82/25/495708225.db2.gz KGSCAEBYXFHCET-SQNIBIBYSA-N 2 0 364.559 3.009 20 0 FGADRP CC(=O)c1ccccc1NC(=O)[C@H](C)N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185766315 495717310 /nfs/dbraw/zinc/71/73/10/495717310.db2.gz HWFLYORZGUOIAF-BQFCYCMXSA-N 2 0 371.525 3.459 20 0 FGADRP C[C@@H](NC(=O)Nc1ccc2c(c1)C[NH2+]C2)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000580630964 505801743 /nfs/dbraw/zinc/80/17/43/505801743.db2.gz QKBJZEMCRZVTHD-VQIMIIECSA-N 2 0 364.493 3.322 20 0 FGADRP CCN(C(=O)[C@H](C)[NH+]1CCC(OCC[NH+]2CCCC2)CC1)c1ccccc1 ZINC000173956101 495763737 /nfs/dbraw/zinc/76/37/37/495763737.db2.gz HETONIQHXUYPOI-IBGZPJMESA-N 2 0 373.541 3.005 20 0 FGADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CC1(N2CCSCC2)CCCCC1 ZINC000577839740 505802374 /nfs/dbraw/zinc/80/23/74/505802374.db2.gz OMODUUSDFHOCRU-MRXNPFEDSA-N 2 0 362.587 3.251 20 0 FGADRP CCCC[NH+]1CCC(NC(=O)NC2CC[NH+](CC3CCCC3)CC2)CC1 ZINC000171208206 495770443 /nfs/dbraw/zinc/77/04/43/495770443.db2.gz FQZRRBYWIARVJY-UHFFFAOYSA-N 2 0 364.578 3.205 20 0 FGADRP Cc1ccc(NC(=O)CN(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000173976113 495772111 /nfs/dbraw/zinc/77/21/11/495772111.db2.gz WKTARHPXWIEGQE-FQEVSTJZSA-N 2 0 351.494 3.387 20 0 FGADRP C[NH2+][C@H](CC(C)(C)C)C(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000577846772 505803260 /nfs/dbraw/zinc/80/32/60/505803260.db2.gz ZIBWPFOJGITETD-UXLLHSPISA-N 2 0 351.560 3.271 20 0 FGADRP Cc1ccc(C)c(NC(=O)C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)c1 ZINC000182988822 495787186 /nfs/dbraw/zinc/78/71/86/495787186.db2.gz MQRLPZPVXLWXJX-UHFFFAOYSA-N 2 0 373.541 3.066 20 0 FGADRP C[N@@H+]1CC[C@H]([NH2+]Cc2cc(Cl)ccc2N2CCOCC2)[C@@H]2CCC[C@@H]21 ZINC000577847180 505804276 /nfs/dbraw/zinc/80/42/76/505804276.db2.gz ZSZDVIOSQMDUFZ-BJLQDIEVSA-N 2 0 363.933 3.139 20 0 FGADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@H]1CCCSc2ccc(Cl)cc21 ZINC000155051563 495818022 /nfs/dbraw/zinc/81/80/22/495818022.db2.gz VIDOZRNXVGTSOT-YOEHRIQHSA-N 2 0 353.963 3.493 20 0 FGADRP C[C@H]([NH2+]CCCOC1CC[NH+](Cc2ccccc2)CC1)c1nccn1C ZINC000183073112 495823526 /nfs/dbraw/zinc/82/35/26/495823526.db2.gz YLWVOPPWMHWCMM-SFHVURJKSA-N 2 0 356.514 3.142 20 0 FGADRP CCC[NH+]1CCN(c2ccccc2CNC2CC[NH+](C(C)C)CC2)CC1 ZINC000151389495 495825311 /nfs/dbraw/zinc/82/53/11/495825311.db2.gz NVJJBOUNXBBDKP-UHFFFAOYSA-N 2 0 358.574 3.181 20 0 FGADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@@H]1CCCOc2c(Cl)c(Cl)ccc21 ZINC000155082002 495828461 /nfs/dbraw/zinc/82/84/61/495828461.db2.gz YBVIFVPDOPWSTR-XJKSGUPXSA-N 2 0 372.340 3.433 20 0 FGADRP C[NH+](C)Cc1cccc(NC(=O)NCC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000180050275 495837964 /nfs/dbraw/zinc/83/79/64/495837964.db2.gz RWBXDXAYXFIMNG-UHFFFAOYSA-N 2 0 367.497 3.181 20 0 FGADRP CC[NH+](CC)Cc1cccc(CNC(=O)N2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000174153274 495840493 /nfs/dbraw/zinc/84/04/93/495840493.db2.gz ATWBFHAYIGWZHP-OAQYLSRUSA-N 2 0 372.557 3.156 20 0 FGADRP CC(=O)N1CCC(C[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000183139533 495851099 /nfs/dbraw/zinc/85/10/99/495851099.db2.gz JBKLOUHWICZRSH-XPWALMASSA-N 2 0 369.553 3.135 20 0 FGADRP CC[NH+](CC)C[C@@H]1CCN(C[C@H](O)CO[C@@H](C)c2ccc(Cl)cc2)C1 ZINC000174207448 495863803 /nfs/dbraw/zinc/86/38/03/495863803.db2.gz VGJXFHVAISBRAB-ZWOKBUDYSA-N 2 0 368.949 3.442 20 0 FGADRP CC[NH+]1CCN([C@@H]2CC[N@H+](CCCc3ccc(C(F)(F)F)cc3)C2)CC1 ZINC000177026141 495888672 /nfs/dbraw/zinc/88/86/72/495888672.db2.gz HHGIPXTWNNTVDK-LJQANCHMSA-N 2 0 369.475 3.350 20 0 FGADRP C[C@H]([NH2+]CCCC[NH+]1CCN(c2ccccc2)CC1)c1cccc(CO)c1 ZINC000183236636 495892385 /nfs/dbraw/zinc/89/23/85/495892385.db2.gz KMIXGINIDLHHJW-FQEVSTJZSA-N 2 0 367.537 3.432 20 0 FGADRP C[C@@H]1C[NH+](CCC2CC[NH+](Cc3cnn4ccccc34)CC2)C[C@@H](C)O1 ZINC000180181876 495894424 /nfs/dbraw/zinc/89/44/24/495894424.db2.gz FDVZSSCVDWOGOW-QZTJIDSGSA-N 2 0 356.514 3.046 20 0 FGADRP CC(C)[NH+](CCCNC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1)C(C)C ZINC000174355902 495924943 /nfs/dbraw/zinc/92/49/43/495924943.db2.gz HYHVXINYQMRFPZ-LJQANCHMSA-N 2 0 352.567 3.155 20 0 FGADRP Cc1ccccc1[C@H](CN1CCOCC1)[NH2+]Cc1ccc(C[NH+](C)C)cc1 ZINC000183308620 495925102 /nfs/dbraw/zinc/92/51/02/495925102.db2.gz CEBDNLONGDSZLJ-QHCPKHFHSA-N 2 0 367.537 3.220 20 0 FGADRP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]CCc1c(C)nc2ccccn2c1=O ZINC000577903885 505815132 /nfs/dbraw/zinc/81/51/32/505815132.db2.gz PUQAMGOBWWUPNI-QUCCMNQESA-N 2 0 370.541 3.036 20 0 FGADRP C[C@@H](C[NH2+][C@@H](c1ccccc1)c1ccc(F)cc1)CN1CC[NH+](C)CC1 ZINC000177294248 496009193 /nfs/dbraw/zinc/00/91/93/496009193.db2.gz DCFRCKYXSBTTQK-AVRDEDQJSA-N 2 0 355.501 3.388 20 0 FGADRP Cc1cccn2cc(COc3ccc(C[NH2+]C(C)(C)CCO)cc3)nc12 ZINC000174577574 496018885 /nfs/dbraw/zinc/01/88/85/496018885.db2.gz TUKAZCAPZSKGID-UHFFFAOYSA-N 2 0 353.466 3.472 20 0 FGADRP CC[C@H]([NH2+][C@H](C)CCN1CC[NH+](C)CC1)c1ccc(OC(F)F)cc1 ZINC000186573521 496052194 /nfs/dbraw/zinc/05/21/94/496052194.db2.gz YYEUILWGDQTMOL-QAPCUYQASA-N 2 0 355.473 3.355 20 0 FGADRP Cc1c([C@H](C)NC[C@@H]2CC[N@@H+](C3CC3)C2)nnn1-c1cccc(Cl)c1 ZINC000152367654 496129047 /nfs/dbraw/zinc/12/90/47/496129047.db2.gz BUBIHEYTDNNRLP-ZFWWWQNUSA-N 2 0 359.905 3.364 20 0 FGADRP CC[C@H]([NH2+]CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)c1ccc(OC)cc1 ZINC000180771997 496140031 /nfs/dbraw/zinc/14/00/31/496140031.db2.gz QEGXQUTVRZGZPY-SFTDATJTSA-N 2 0 369.509 3.155 20 0 FGADRP CC(C)COC(=O)N1CCC([NH2+]C2CC[NH+](C3CCCC3)CC2)CC1 ZINC000152494156 496168893 /nfs/dbraw/zinc/16/88/93/496168893.db2.gz YSEPSBFIBGKRGO-UHFFFAOYSA-N 2 0 351.535 3.240 20 0 FGADRP CN(CC1([NH+](C)C)CCC1)C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000186848743 496179550 /nfs/dbraw/zinc/17/95/50/496179550.db2.gz ZQWNKMGSFAPXJW-UHFFFAOYSA-N 2 0 372.557 3.298 20 0 FGADRP Cc1nn(C)cc1[C@H](C)[NH2+]Cc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000177751497 496182037 /nfs/dbraw/zinc/18/20/37/496182037.db2.gz SJXLYBDFYUEXAL-ZACQAIPSSA-N 2 0 356.514 3.189 20 0 FGADRP C[NH+](C)[C@@H](CNC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1)C1CCCCC1 ZINC000156316379 496213940 /nfs/dbraw/zinc/21/39/40/496213940.db2.gz QBSLXDVLVPXOHL-PMACEKPBSA-N 2 0 364.578 3.157 20 0 FGADRP C[C@H]([NH2+]C(C)(C)CNC(=O)NC1CC[NH+](CC2CC2)CC1)c1ccccc1 ZINC000172251307 496229060 /nfs/dbraw/zinc/22/90/60/496229060.db2.gz GXUIBIBBJCRXLU-KRWDZBQOSA-N 2 0 372.557 3.289 20 0 FGADRP CC[NH+](CC)Cc1ccc(CNC(=O)NC[C@H]2CC[N@H+](CC(C)C)C2)cc1 ZINC000156393703 496233574 /nfs/dbraw/zinc/23/35/74/496233574.db2.gz SCOBRKBBAWDJEU-OAQYLSRUSA-N 2 0 374.573 3.306 20 0 FGADRP C[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1)c1ccsc1 ZINC000178007186 496284145 /nfs/dbraw/zinc/28/41/45/496284145.db2.gz YGSUJCILAPENII-YJBOKZPZSA-N 2 0 357.523 3.296 20 0 FGADRP COC(=O)c1ccccc1CC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000187101921 496293859 /nfs/dbraw/zinc/29/38/59/496293859.db2.gz VQKDUZZFHVDPQS-FQEVSTJZSA-N 2 0 366.505 3.470 20 0 FGADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H](C)c2cc(Br)ccc2F)CC1 ZINC000178034319 496297498 /nfs/dbraw/zinc/29/74/98/496297498.db2.gz OZGMQNCGDWPLDW-ZIAGYGMSSA-N 2 0 372.326 3.265 20 0 FGADRP COc1ccc(C[C@H](C)[NH2+]CCCC[NH+]2C[C@H](C)O[C@@H](C)C2)cc1OC ZINC000178037838 496299183 /nfs/dbraw/zinc/29/91/83/496299183.db2.gz VOHQKRUNAVKFIL-BZSNNMDCSA-N 2 0 364.530 3.114 20 0 FGADRP Cc1ccc2ncc(C[NH2+]C3CCN(C(=O)NC4CCCCC4)CC3)n2c1 ZINC000156769058 496330414 /nfs/dbraw/zinc/33/04/14/496330414.db2.gz VANIMGDAMPIUTO-UHFFFAOYSA-N 2 0 369.513 3.239 20 0 FGADRP COc1c(Br)cccc1C[NH2+]C[C@H](C)Cn1ccnc1C ZINC000187204784 496338298 /nfs/dbraw/zinc/33/82/98/496338298.db2.gz OABHPNDEKYIWHI-LBPRGKRZSA-N 2 0 352.276 3.389 20 0 FGADRP C[NH+]1CCN(CCC[NH2+][C@H](CCc2ccccc2)Cc2ccccc2)CC1 ZINC000162556105 496373454 /nfs/dbraw/zinc/37/34/54/496373454.db2.gz IAPOGTWSNANXHV-XMMPIXPASA-N 2 0 365.565 3.458 20 0 FGADRP CC(C)[C@H](C[NH2+]Cc1ccc(F)c(C(F)(F)F)c1)N1CC[NH+](C)CC1 ZINC000162571920 496375517 /nfs/dbraw/zinc/37/55/17/496375517.db2.gz KOCHPFCNJJTARP-KRWDZBQOSA-N 2 0 361.427 3.206 20 0 FGADRP C[N@@H+]1CCC[C@H]1CC[NH2+]C(C)(C)COc1ncccc1Br ZINC000181518467 496429873 /nfs/dbraw/zinc/42/98/73/496429873.db2.gz OQLOBCVGXFALBK-ZDUSSCGKSA-N 2 0 356.308 3.075 20 0 FGADRP C[NH+](C)Cc1c2ccccc2oc1C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000175562913 496444107 /nfs/dbraw/zinc/44/41/07/496444107.db2.gz WGFHLPOEXGRKNJ-UHFFFAOYSA-N 2 0 357.498 3.487 20 0 FGADRP C[C@@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]CCC[NH+]1CCCC1 ZINC000178411642 496446911 /nfs/dbraw/zinc/44/69/11/496446911.db2.gz PKBGPQBLLAOZNY-INIZCTEOSA-N 2 0 351.922 3.153 20 0 FGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]CCCCCOC)CC1 ZINC000181628082 496476919 /nfs/dbraw/zinc/47/69/19/496476919.db2.gz ZGMUTOADOVWKPV-KRWDZBQOSA-N 2 0 351.510 3.435 20 0 FGADRP C[C@H](c1cccc(F)c1)[NH+]1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000172984240 496509712 /nfs/dbraw/zinc/50/97/12/496509712.db2.gz XBTXUJMVIHOADF-MRXNPFEDSA-N 2 0 363.521 3.303 20 0 FGADRP CCO[C@@H]1C[C@@H]([NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)C12CCCCC2 ZINC000181775652 496539436 /nfs/dbraw/zinc/53/94/36/496539436.db2.gz NXBAUEMWBHVTOS-DFQSSKMNSA-N 2 0 350.547 3.205 20 0 FGADRP CC[NH+](CC)[C@H](C)CNC(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000175774004 496539633 /nfs/dbraw/zinc/53/96/33/496539633.db2.gz ACZAZBVGDRBDDV-GOSISDBHSA-N 2 0 360.546 3.023 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc2c(c1)CCC2 ZINC000157732366 496540555 /nfs/dbraw/zinc/54/05/55/496540555.db2.gz STWNRKNNTKHQDT-FQEVSTJZSA-N 2 0 358.530 3.055 20 0 FGADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000175788084 496545996 /nfs/dbraw/zinc/54/59/96/496545996.db2.gz ZRJRETDERRJGCW-IBGZPJMESA-N 2 0 372.557 3.167 20 0 FGADRP Cc1cccc(N2CC[NH+](CCCC[NH2+][C@H](C)c3nccnc3C)CC2)c1 ZINC000187732202 496550157 /nfs/dbraw/zinc/55/01/57/496550157.db2.gz GFEUFPUYANRGLB-LJQANCHMSA-N 2 0 367.541 3.346 20 0 FGADRP C[C@H](CCNC(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1)[NH+]1CCCCC1 ZINC000184844570 496554042 /nfs/dbraw/zinc/55/40/42/496554042.db2.gz MOUJSFBHVYUQDB-RTBURBONSA-N 2 0 352.567 3.062 20 0 FGADRP [NH3+][C@@H](CCC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)c1ccccc1 ZINC000163849818 496564523 /nfs/dbraw/zinc/56/45/23/496564523.db2.gz XKNMROSYHFIGRB-NRFANRHFSA-N 2 0 351.494 3.379 20 0 FGADRP CCC[NH+]1CCC([NH2+]CCCC[NH+]2CCN(Cc3ccccc3)CC2)CC1 ZINC000163926224 496570805 /nfs/dbraw/zinc/57/08/05/496570805.db2.gz IBMMBKVMXHWPTN-UHFFFAOYSA-N 3 0 372.601 3.048 20 0 FGADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)NC[C@@H](c2cccs2)[NH+](C)C)C1 ZINC000158013604 496609072 /nfs/dbraw/zinc/60/90/72/496609072.db2.gz VJUGHGSZYDOKFO-SJORKVTESA-N 2 0 366.575 3.018 20 0 FGADRP C[C@@H]1C[NH+](CCC2CC[NH+](CCCC(=O)OC(C)(C)C)CC2)C[C@@H](C)O1 ZINC000181967502 496617019 /nfs/dbraw/zinc/61/70/19/496617019.db2.gz ZOIZQPQZZWFNMU-QZTJIDSGSA-N 2 0 368.562 3.320 20 0 FGADRP O=C(NCCC[NH+]1CCCCC1)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000178933160 496620946 /nfs/dbraw/zinc/62/09/46/496620946.db2.gz VGBDCRBYKCESRZ-UHFFFAOYSA-N 2 0 364.578 3.160 20 0 FGADRP CC1CC[NH+](C2CCC(NC(=O)NCCC[NH+]3CCCCC3)CC2)CC1 ZINC000178933340 496621280 /nfs/dbraw/zinc/62/12/80/496621280.db2.gz HWZMIEMJFSYMGA-UHFFFAOYSA-N 2 0 364.578 3.205 20 0 FGADRP C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000158100203 496627893 /nfs/dbraw/zinc/62/78/93/496627893.db2.gz ZHIOMLWLAQWWCU-UONOGXRCSA-N 2 0 368.319 3.098 20 0 FGADRP C[C@@H](C(=O)NCc1cccc(C[NH+]2CCCC2)c1)[C@@H]([NH3+])c1ccccc1 ZINC000164729178 496629847 /nfs/dbraw/zinc/62/98/47/496629847.db2.gz OBTPWHPNACEQCL-DYESRHJHSA-N 2 0 351.494 3.235 20 0 FGADRP C[C@@H]([NH2+]CCCC[NH+]1CCC(C)CC1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000158182951 496645152 /nfs/dbraw/zinc/64/51/52/496645152.db2.gz JMBXYGQNJOWQDD-MRXNPFEDSA-N 2 0 370.534 3.392 20 0 FGADRP COC(=O)c1ccc(-c2nc(C[NH+]3CCC(CC[NH+](C)C)CC3)co2)cc1 ZINC000182080594 496661681 /nfs/dbraw/zinc/66/16/81/496661681.db2.gz UNMWGUCDUCHPQV-UHFFFAOYSA-N 2 0 371.481 3.292 20 0 FGADRP C[NH+]1CCN(c2ccc(C(F)(F)F)cc2C[NH2+][C@@H]2CCSC2)CC1 ZINC000165580193 496662558 /nfs/dbraw/zinc/66/25/58/496662558.db2.gz JXSJCPHZTXGTFX-OAHLLOKOSA-N 2 0 359.461 3.052 20 0 FGADRP C[NH+](C)[C@@H](CNC(=O)C[N@@H+]1CCC[C@@H]1c1cccs1)c1ccccc1 ZINC000182107781 496671580 /nfs/dbraw/zinc/67/15/80/496671580.db2.gz AGSGFORHWGVTLT-MSOLQXFVSA-N 2 0 357.523 3.304 20 0 FGADRP COc1ccc([C@@H](CN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)[NH+]2CCCCC2)cc1 ZINC000165969123 496674338 /nfs/dbraw/zinc/67/43/38/496674338.db2.gz FFEJLGMDGBTYBZ-KCZVDYSFSA-N 2 0 357.542 3.439 20 0 FGADRP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)c1cccc(Br)c1 ZINC000173405619 496678812 /nfs/dbraw/zinc/67/88/12/496678812.db2.gz AUHZBCNFQLSWCW-RHSMWYFYSA-N 2 0 355.320 3.337 20 0 FGADRP COc1cc2[nH]c(CCC[NH2+][C@@H]3C[C@@H](C)[N@H+](C)C[C@H]3C)cc2c(OC)c1 ZINC000166343077 496684560 /nfs/dbraw/zinc/68/45/60/496684560.db2.gz PRQKYXAOBLFQNG-SPYBWZPUSA-N 2 0 359.514 3.436 20 0 FGADRP Cc1ccc2c(c1)[C@H]([NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1)CCC2 ZINC000166468764 496687119 /nfs/dbraw/zinc/68/71/19/496687119.db2.gz PPWQLQFANQZIBO-JOCHJYFZSA-N 2 0 365.521 3.454 20 0 FGADRP COCCC[NH+]1CCC([NH2+][C@H](C)Cc2ccc(Br)cc2)CC1 ZINC000188174828 496708461 /nfs/dbraw/zinc/70/84/61/496708461.db2.gz AMEVFOXHKIRCNK-OAHLLOKOSA-N 2 0 369.347 3.471 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1CCCNC(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000176166212 496710709 /nfs/dbraw/zinc/71/07/09/496710709.db2.gz OBVVGYFJSBEDGI-GOSISDBHSA-N 2 0 364.578 3.347 20 0 FGADRP C[C@@H]([NH2+]CCCN1CC[N@H+](C)C[C@@H]1c1ccccc1)c1cccc(O)c1 ZINC000194847193 496734117 /nfs/dbraw/zinc/73/41/17/496734117.db2.gz OCSPEMRDEAJQHJ-XMSQKQJNSA-N 2 0 353.510 3.422 20 0 FGADRP COc1cc(C)c([C@H](C)[NH2+]Cc2cccnc2N2CC[NH+](C)CC2)cc1C ZINC000273229163 496747064 /nfs/dbraw/zinc/74/70/64/496747064.db2.gz WSNVCSNRMSHBBP-SFHVURJKSA-N 2 0 368.525 3.310 20 0 FGADRP COc1ccc([C@H]2C[C@@H](C)[N@H+](CCCN3CC[NH+](C(C)C)CC3)C2)cc1 ZINC000191503203 496787420 /nfs/dbraw/zinc/78/74/20/496787420.db2.gz BWMYKQZIFKNIFO-CTNGQTDRSA-N 2 0 359.558 3.289 20 0 FGADRP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000273378423 496788592 /nfs/dbraw/zinc/78/85/92/496788592.db2.gz HWCBDBAUQKUTGU-GOSISDBHSA-N 2 0 372.557 3.154 20 0 FGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H]2CCSc3ccc(OC)cc32)CC1 ZINC000191510118 496790878 /nfs/dbraw/zinc/79/08/78/496790878.db2.gz VCFAFKQGLMADCE-VQIMIIECSA-N 2 0 363.571 3.095 20 0 FGADRP Cc1ccc(C)c([C@H]2C[N@@H+](CCCN3CC[NH+](C(C)C)CC3)[C@H](C)CO2)c1 ZINC000191512744 496792004 /nfs/dbraw/zinc/79/20/04/496792004.db2.gz OONIMEJUGNAGKP-FYYLOGMGSA-N 2 0 373.585 3.481 20 0 FGADRP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCCC[NH+]2Cc2ccccc2)C1 ZINC000247247032 496815901 /nfs/dbraw/zinc/81/59/01/496815901.db2.gz PXSGGUYLASFOMK-LEWJYISDSA-N 2 0 357.542 3.278 20 0 FGADRP CC[N@@H+]1CC[C@@H](N(C)Cc2cccc(C(=O)NCc3ccco3)c2)[C@@H](C)C1 ZINC000247250340 496816568 /nfs/dbraw/zinc/81/65/68/496816568.db2.gz UKNXLLQJHDYGFA-LAUBAEHRSA-N 2 0 369.509 3.372 20 0 FGADRP Cc1csc(C2([NH2+]CCCN3CC[NH+](C(C)C)CC3)CCCC2)n1 ZINC000191579444 496819390 /nfs/dbraw/zinc/81/93/90/496819390.db2.gz ATFBVCQFIREPAB-UHFFFAOYSA-N 2 0 350.576 3.227 20 0 FGADRP CC[NH+]1CCC([NH2+]C[C@@H](O)c2cccc(OCc3ccccc3)c2)CC1 ZINC000268991321 496844127 /nfs/dbraw/zinc/84/41/27/496844127.db2.gz GHBDWKRWEKDXNJ-JOCHJYFZSA-N 2 0 354.494 3.373 20 0 FGADRP CC[NH+](CC)[C@H](C)CNC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000247398505 496851171 /nfs/dbraw/zinc/85/11/71/496851171.db2.gz RDALGCVXFLAXPH-QKNQBKEWSA-N 2 0 374.573 3.411 20 0 FGADRP C[NH+](C)Cc1ccc(C(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)cc1 ZINC000264312645 496869993 /nfs/dbraw/zinc/86/99/93/496869993.db2.gz NZXBNFKMWVSQLU-OAQYLSRUSA-N 2 0 365.521 3.043 20 0 FGADRP O=C(Nc1cccc(C[NH+]2CCSCC2)c1)C1CC[NH+](C2CC2)CC1 ZINC000195394281 496910084 /nfs/dbraw/zinc/91/00/84/496910084.db2.gz QJHVSZNGOYEBBU-UHFFFAOYSA-N 2 0 359.539 3.048 20 0 FGADRP C[C@H](CC(=O)N(CC[NH+](C)C)Cc1cccc(Cl)c1)[C@H]1CCC[NH2+]C1 ZINC000574875311 505873656 /nfs/dbraw/zinc/87/36/56/505873656.db2.gz XUXUYUKMPSXWOA-AEFFLSMTSA-N 2 0 365.949 3.256 20 0 FGADRP O=C(N1CCC[C@@H](C[NH+]2CCCCCC2)C1)[C@@]1(c2ccccc2)CC[NH2+]C1 ZINC000572033512 505874137 /nfs/dbraw/zinc/87/41/37/505874137.db2.gz KJESHRYVTDBOCP-REWPJTCUSA-N 2 0 369.553 3.032 20 0 FGADRP CCCC[N@H+](C)CC1CC[NH+](CCC(=O)N2CCc3ccccc3C2)CC1 ZINC000188970740 496963692 /nfs/dbraw/zinc/96/36/92/496963692.db2.gz BKFCIPYXMITMGE-UHFFFAOYSA-N 2 0 371.569 3.405 20 0 FGADRP Fc1cc(OCC[NH+]2CCC(OCC[NH+]3CCCC3)CC2)ccc1Cl ZINC000192051764 496977005 /nfs/dbraw/zinc/97/70/05/496977005.db2.gz PVZYNMHWIPULFD-UHFFFAOYSA-N 2 0 370.896 3.435 20 0 FGADRP C[C@@H](c1ccccc1)N1CC[C@H]([NH2+]CCN2CCc3ccccc3C2=O)C1 ZINC000189054616 496993393 /nfs/dbraw/zinc/99/33/93/496993393.db2.gz XAOCMOUHMUFZNA-RXVVDRJESA-N 2 0 363.505 3.110 20 0 FGADRP Cn1cc(CCC[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)cn1 ZINC000248397630 496994288 /nfs/dbraw/zinc/99/42/88/496994288.db2.gz IFWTZSLJNIIYLZ-BHDDXSALSA-N 2 0 352.526 3.243 20 0 FGADRP CNc1cc(N2CCC[C@H]2C[NH2+][C@@H](c2ccco2)c2ccccc2)ncn1 ZINC000248497386 497026913 /nfs/dbraw/zinc/02/69/13/497026913.db2.gz RHBGHFONKKEBFM-LAUBAEHRSA-N 2 0 363.465 3.459 20 0 FGADRP C[C@H](c1cccc2ccccc21)[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000574917381 505882856 /nfs/dbraw/zinc/88/28/56/505882856.db2.gz UWDUZZVGBIDOET-HMFYCAOWSA-N 2 0 365.521 3.481 20 0 FGADRP c1c(CC[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)nc2n1CCS2 ZINC000274432723 497096970 /nfs/dbraw/zinc/09/69/70/497096970.db2.gz WBOFHUZSWNXKFS-DFQSSKMNSA-N 2 0 368.550 3.032 20 0 FGADRP COC(=O)C1CCC([NH2+]Cc2ccccc2C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000192440619 497116039 /nfs/dbraw/zinc/11/60/39/497116039.db2.gz LUWCILSEOHNNMO-IRDVNMAFSA-N 2 0 374.525 3.117 20 0 FGADRP CC(C)O[C@@H]1C[C@H]([NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H]2CO)C1(C)C ZINC000248873715 497122271 /nfs/dbraw/zinc/12/22/71/497122271.db2.gz QVMQPKHDMIKSLX-PCCBWWKXSA-N 2 0 360.542 3.325 20 0 FGADRP C[C@H]1C[C@H](C)C[NH+](CCCC[NH2+]Cc2ccc3c(c2)sc(=O)n3C)C1 ZINC000192477412 497127612 /nfs/dbraw/zinc/12/76/12/497127612.db2.gz AQOAAQSDMCKFLK-HOTGVXAUSA-N 2 0 361.555 3.448 20 0 FGADRP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@](C)([NH3+])c2ccccc2)CC1 ZINC000192529550 497141385 /nfs/dbraw/zinc/14/13/85/497141385.db2.gz FZYGUURJXPNFTG-VGOFRKELSA-N 2 0 351.494 3.202 20 0 FGADRP CCC[NH+]1CCN(c2ccccc2C[NH2+]CCC2CC[NH+](CC)CC2)CC1 ZINC000236799436 497147474 /nfs/dbraw/zinc/14/74/74/497147474.db2.gz VUUOZRWQCQKAQD-UHFFFAOYSA-N 3 0 372.601 3.430 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)C[C@H]([NH3+])c1ccccc1)c1cccc(OC)c1 ZINC000236825273 497152355 /nfs/dbraw/zinc/15/23/55/497152355.db2.gz ODWBINBIQAQRFC-SFTDATJTSA-N 2 0 369.509 3.284 20 0 FGADRP CCN1CC[NH+](CCCC[NH2+]CCCc2c(F)cccc2Cl)CC1 ZINC000278571744 497156192 /nfs/dbraw/zinc/15/61/92/497156192.db2.gz CUNQSFBFHLKPIL-UHFFFAOYSA-N 2 0 355.929 3.419 20 0 FGADRP C[C@H]1C[C@@H](N(C)C(=O)C2CC[NH+](C3CC3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000192582464 497156327 /nfs/dbraw/zinc/15/63/27/497156327.db2.gz KSKLUITWIFSOGF-AVRDEDQJSA-N 2 0 369.553 3.372 20 0 FGADRP COc1ccc([C@@H](CCO)[NH2+][C@@H](C)c2cccc(OCC[NH+](C)C)c2)cc1 ZINC000270627528 497165231 /nfs/dbraw/zinc/16/52/31/497165231.db2.gz LNDQFBYLAQYJQW-HTAPYJJXSA-N 2 0 372.509 3.410 20 0 FGADRP C[C@H]1CN(Cc2ccccc2)C[C@H]1[NH2+]CC1CCN(CC(F)(F)F)CC1 ZINC000249106745 497167734 /nfs/dbraw/zinc/16/77/34/497167734.db2.gz LKXPCOZTDHJYDS-QFBILLFUSA-N 2 0 369.475 3.371 20 0 FGADRP C[NH+](C)CCn1ccc2ccc(NC(=O)[C@H]3CCCCCC[C@@H]3[NH3+])cc21 ZINC000237001107 497179168 /nfs/dbraw/zinc/17/91/68/497179168.db2.gz MDVWGSPTJDKLPA-OALUTQOASA-N 2 0 356.514 3.439 20 0 FGADRP C[NH+](C)CC1CCN(c2ccc(NC(=O)c3ccc(C[NH3+])cc3)cc2)CC1 ZINC000237096686 497190027 /nfs/dbraw/zinc/19/00/27/497190027.db2.gz MBCPHKOSYAAVOO-UHFFFAOYSA-N 2 0 366.509 3.176 20 0 FGADRP C[C@@H]([NH2+]Cc1cccnc1-n1cccn1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274889973 497191757 /nfs/dbraw/zinc/19/17/57/497191757.db2.gz JFQCWHRHYAOOIH-WIYYLYMNSA-N 2 0 361.493 3.268 20 0 FGADRP CC[NH+](CC)CCN(Cc1cccs1)C(=O)C1CC[NH+](C2CC2)CC1 ZINC000192715486 497193445 /nfs/dbraw/zinc/19/34/45/497193445.db2.gz WYLUIAFLZWUFTO-UHFFFAOYSA-N 2 0 363.571 3.293 20 0 FGADRP C[N@@H+]1CCC[C@H](CNC(=O)C[C@@H]([NH3+])c2ccccc2)[C@@H]1c1cccs1 ZINC000237123844 497194968 /nfs/dbraw/zinc/19/49/68/497194968.db2.gz PIKGCQYPVUWSAT-MBOZVWFJSA-N 2 0 357.523 3.337 20 0 FGADRP CCS[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000249483736 497210012 /nfs/dbraw/zinc/21/00/12/497210012.db2.gz TZGUFWCPTGKKAR-GUDVDZBRSA-N 2 0 363.571 3.059 20 0 FGADRP CC(C)[NH+]1CCN(CCC[NH2+][C@H](C)c2ccc(NC(=O)C3CC3)cc2)CC1 ZINC000192786812 497214174 /nfs/dbraw/zinc/21/41/74/497214174.db2.gz GHXSFSUXJLCUIA-GOSISDBHSA-N 2 0 372.557 3.102 20 0 FGADRP CC[C@]1(CO)CCC[NH+](CCCCC[N@H+]2CCC[C@](CC)(CO)C2)C1 ZINC000249549877 497219878 /nfs/dbraw/zinc/21/98/78/497219878.db2.gz HOMAUEJSXMHTON-SFTDATJTSA-N 2 0 354.579 3.126 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)[C@@H]([NH3+])Cc1ccccc1 ZINC000237343432 497222837 /nfs/dbraw/zinc/22/28/37/497222837.db2.gz ZNKVJGPEDPEMLN-GCJKJVERSA-N 2 0 365.521 3.247 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)[C@@H]([NH3+])c1ccccc1 ZINC000237343480 497222936 /nfs/dbraw/zinc/22/29/36/497222936.db2.gz GSYXDERYZLQDGF-UTKZUKDTSA-N 2 0 351.494 3.377 20 0 FGADRP C[C@H](C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1)[C@@H]([NH3+])c1ccccc1 ZINC000237444837 497237869 /nfs/dbraw/zinc/23/78/69/497237869.db2.gz MYLHPDRKIKHPSZ-DZFGPLHGSA-N 2 0 351.494 3.276 20 0 FGADRP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000237455357 497239830 /nfs/dbraw/zinc/23/98/30/497239830.db2.gz NTVPWOREDZDXDW-IZBPLUDHSA-N 2 0 355.526 3.249 20 0 FGADRP CN(C)C(=O)[C@@H]1CCC[C@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000278871408 497250162 /nfs/dbraw/zinc/25/01/62/497250162.db2.gz WZQXWRZQCVGUDI-OQEHDIDLSA-N 2 0 369.553 3.419 20 0 FGADRP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)[C@@H]([NH3+])c1ccccc1 ZINC000237520122 497250445 /nfs/dbraw/zinc/25/04/45/497250445.db2.gz GSYXDERYZLQDGF-UWJYYQICSA-N 2 0 351.494 3.377 20 0 FGADRP Cc1nc(C[NH2+]CCCC[NH+]2CCN(c3cccc(C)c3)CC2)cs1 ZINC000192941422 497253451 /nfs/dbraw/zinc/25/34/51/497253451.db2.gz FERNLPOIDLBSIN-UHFFFAOYSA-N 2 0 358.555 3.452 20 0 FGADRP C[NH+]1CCC(CC[NH2+][C@H]2CCCN(C(=O)Oc3ccccc3)CC2)CC1 ZINC000278955641 497280103 /nfs/dbraw/zinc/28/01/03/497280103.db2.gz NJEGQYNMECSFKK-IBGZPJMESA-N 2 0 359.514 3.361 20 0 FGADRP C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)N3CC[C@@H](C[NH+](C)C)C3)cc2)C1 ZINC000251673161 497281260 /nfs/dbraw/zinc/28/12/60/497281260.db2.gz MEBFNELFJLEVQT-RXVVDRJESA-N 2 0 372.557 3.012 20 0 FGADRP CC[NH+]1CCC(CCNC(=O)C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000266246653 497287682 /nfs/dbraw/zinc/28/76/82/497287682.db2.gz RDGKSVFGFHNMQM-UHFFFAOYSA-N 2 0 357.542 3.137 20 0 FGADRP [NH3+][C@@H](CCC(=O)NCCC[N@@H+]1CCc2ccccc2C1)c1ccccc1 ZINC000237934408 497316208 /nfs/dbraw/zinc/31/62/08/497316208.db2.gz GWQWTCASMSREDI-NRFANRHFSA-N 2 0 351.494 3.031 20 0 FGADRP Brc1cc2c(c(CN[C@@H]3CC[N@@H+]4CCC[C@H]4C3)c1)OCC2 ZINC000252799368 497320161 /nfs/dbraw/zinc/32/01/61/497320161.db2.gz RXPLFNONURLNGA-CVEARBPZSA-N 2 0 351.288 3.100 20 0 FGADRP [NH3+]C[C@@H](C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1)c1ccccc1 ZINC000238031291 497330302 /nfs/dbraw/zinc/33/03/02/497330302.db2.gz FKPXFCRZMSDVLL-OAQYLSRUSA-N 2 0 351.494 3.031 20 0 FGADRP O=C(NCc1cccc(C[NH+]2CCCCCC2)c1)[C@H]1CC12CC[NH2+]CC2 ZINC000238074486 497336138 /nfs/dbraw/zinc/33/61/38/497336138.db2.gz NZIYJEGUDPMGKB-HXUWFJFHSA-N 2 0 355.526 3.069 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(O)c(OCC)c2)[C@@H](C)C1 ZINC000271455735 497353571 /nfs/dbraw/zinc/35/35/71/497353571.db2.gz JEISOAWYHUSSBI-WMZOPIPTSA-N 2 0 350.503 3.018 20 0 FGADRP CC(C)[NH+]1CCC(O)(C[NH2+]Cc2c(Cl)cccc2N2CCCC2)CC1 ZINC000271513710 497368364 /nfs/dbraw/zinc/36/83/64/497368364.db2.gz PLUIORAWKOVDSK-UHFFFAOYSA-N 2 0 365.949 3.265 20 0 FGADRP CC(C)CNC(=O)[C@H](C)[NH2+]Cc1ccccc1C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000255957651 497380918 /nfs/dbraw/zinc/38/09/18/497380918.db2.gz KTPKCJXZWBYFNA-FHWLQOOXSA-N 2 0 359.558 3.415 20 0 FGADRP CCCC[N@H+](C)CC1CC[NH+](CC(=O)N(C)[C@@H]2CCCC[C@H]2C)CC1 ZINC000255961340 497381901 /nfs/dbraw/zinc/38/19/01/497381901.db2.gz XNAXYLJFVZWENL-UYAOXDASSA-N 2 0 351.579 3.467 20 0 FGADRP COc1cc([C@H](C)[NH2+]CCCN2CC[N@H+](C)C[C@@H]2c2ccccc2)ccn1 ZINC000575007556 505904055 /nfs/dbraw/zinc/90/40/55/505904055.db2.gz FAACFFQGSJHXMG-GHTZIAJQSA-N 2 0 368.525 3.120 20 0 FGADRP CCCN(Cc1ccc(C)cc1)C(=O)CN(C)[C@H]1CC[N@H+](CC)C[C@H]1C ZINC000245426863 497399618 /nfs/dbraw/zinc/39/96/18/497399618.db2.gz LQKVLJAIWBWACX-CTNGQTDRSA-N 2 0 359.558 3.396 20 0 FGADRP C[NH+]1CCC(O)(C[NH2+][C@H]2CCCc3cc(SC(F)F)ccc32)CC1 ZINC000271665971 497413202 /nfs/dbraw/zinc/41/32/02/497413202.db2.gz FHUPEFMNJQMZOI-INIZCTEOSA-N 2 0 356.482 3.425 20 0 FGADRP CCC[N@@H+](CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1)CC1CC1 ZINC000193605180 497425520 /nfs/dbraw/zinc/42/55/20/497425520.db2.gz DFVUOSDDPCJGBK-UHFFFAOYSA-N 2 0 357.542 3.198 20 0 FGADRP CCc1ccc([C@@H]2C[NH2+]CCN2Cc2cn(-c3cc[nH+]cc3)nc2C)cc1 ZINC000261654594 497427783 /nfs/dbraw/zinc/42/77/83/497427783.db2.gz FTGNVSFJDHHHMH-QFIPXVFZSA-N 2 0 361.493 3.285 20 0 FGADRP C[N@@H+]1CCC[C@H]2CN(CCOc3ccccc3Br)CC[C@H]21 ZINC000245512947 497436482 /nfs/dbraw/zinc/43/64/82/497436482.db2.gz BLSWXNLJXFANJM-GOEBONIOSA-N 2 0 353.304 3.244 20 0 FGADRP CSC1(C[NH2+]Cc2c(Cl)cccc2N2CC[NH+](C)CC2)CCC1 ZINC000193649966 497436904 /nfs/dbraw/zinc/43/69/04/497436904.db2.gz HTTYOXOAEULGNS-UHFFFAOYSA-N 2 0 353.963 3.467 20 0 FGADRP O=C(NC[C@@H]1CCCN(Cc2cccc(Cl)c2Cl)C1)[C@H]1CCC[NH2+]1 ZINC000261772482 497448060 /nfs/dbraw/zinc/44/80/60/497448060.db2.gz XAZQDBXMWRGOEU-XJKSGUPXSA-N 2 0 370.324 3.074 20 0 FGADRP C[C@@H](C[NH+]1CCC(c2nnc3n2CCNC3)CC1)c1cccc(Cl)c1 ZINC000261778039 497449694 /nfs/dbraw/zinc/44/96/94/497449694.db2.gz FEMFVOWBGHTIQO-AWEZNQCLSA-N 2 0 359.905 3.018 20 0 FGADRP COc1cc(C[NH2+]CC2=CC[N@H+](C)CC2)ccc1OCc1c(C)noc1C ZINC000271909902 497485895 /nfs/dbraw/zinc/48/58/95/497485895.db2.gz RXABJSURJFEPNJ-UHFFFAOYSA-N 2 0 371.481 3.231 20 0 FGADRP CC[NH+](CC)[C@H](C)CNC(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000245652605 497489357 /nfs/dbraw/zinc/48/93/57/497489357.db2.gz CAWAJPFEYCRROI-SOLBZPMBSA-N 2 0 366.575 3.161 20 0 FGADRP CCCC[N@H+](C)CC1CCN(C(=O)NC2CC[NH+](C(C)(C)C)CC2)CC1 ZINC000193831723 497495247 /nfs/dbraw/zinc/49/52/47/497495247.db2.gz FGHSFBDZMXTUNZ-UHFFFAOYSA-N 2 0 366.594 3.403 20 0 FGADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000245680734 497499888 /nfs/dbraw/zinc/49/98/88/497499888.db2.gz IUFROUYUABRAKG-KJJMTIBFSA-N 3 0 359.558 3.128 20 0 FGADRP CC[C@H](c1ccc(Cl)cc1)[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000262117918 497510322 /nfs/dbraw/zinc/51/03/22/497510322.db2.gz BRWAOLHPEJPGAE-KFKAGJAMSA-N 2 0 363.933 3.371 20 0 FGADRP CC[NH+](CC)[C@H](C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1)c1ccccc1 ZINC000262229801 497526441 /nfs/dbraw/zinc/52/64/41/497526441.db2.gz NSROKTUKPUPKKG-HBMCJLEFSA-N 2 0 351.494 3.023 20 0 FGADRP C[C@H](CCc1ccc(C(F)(F)F)cc1)[NH2+]CC1CC[NH+](CCO)CC1 ZINC000193982288 497539073 /nfs/dbraw/zinc/53/90/73/497539073.db2.gz GLCIXZLCRPMZBG-OAHLLOKOSA-N 2 0 358.448 3.320 20 0 FGADRP C[NH+](C)C1CCN(CC[NH2+][C@H]2CCc3ccc(Br)cc32)CC1 ZINC000193988927 497540646 /nfs/dbraw/zinc/54/06/46/497540646.db2.gz QGDXCGZOLCCLSW-SFHVURJKSA-N 2 0 366.347 3.052 20 0 FGADRP CC[N@H+](Cc1ccc(-n2ccnc2)nc1)Cc1ccc(OC)c(OC)c1 ZINC000267402236 497542535 /nfs/dbraw/zinc/54/25/35/497542535.db2.gz PQOAAOOXTLOXMD-UHFFFAOYSA-N 2 0 352.438 3.307 20 0 FGADRP C[C@@H]([NH2+]Cc1ccc(S(C)(=O)=O)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272206564 497563952 /nfs/dbraw/zinc/56/39/52/497563952.db2.gz PLQPETLNVDZCHW-XLIONFOSSA-N 2 0 372.534 3.090 20 0 FGADRP C[C@H](CCn1cccn1)[NH2+]Cc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000245967189 497586878 /nfs/dbraw/zinc/58/68/78/497586878.db2.gz NOMRAYUNUJGPTQ-QRVBRYPASA-N 2 0 356.514 3.061 20 0 FGADRP [NH3+]C1(C(=O)Nc2ccc(NC(=O)C[NH+]3CCCCCCC3)cc2)CCCC1 ZINC000262649716 497591484 /nfs/dbraw/zinc/59/14/84/497591484.db2.gz QJEXRSSIGMNQRW-UHFFFAOYSA-N 2 0 372.513 3.101 20 0 FGADRP CCCN(C(=O)c1ccc(OCC[NH+](CC)CC)cc1)C1CC[NH2+]CC1 ZINC000262654158 497591947 /nfs/dbraw/zinc/59/19/47/497591947.db2.gz SULBMHQCAICDMO-UHFFFAOYSA-N 2 0 361.530 3.011 20 0 FGADRP C[C@@H](CNC(=O)N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1)C[NH+]1CCCC1 ZINC000246146825 497637754 /nfs/dbraw/zinc/63/77/54/497637754.db2.gz JZCRVDMBUVNADG-VQTJNVASSA-N 2 0 372.557 3.024 20 0 FGADRP CC(C)[N@@H+]1[C@@H]2CC[C@H]1CN(C(=O)NCCCC[NH+]1CCCC[C@H]1C)CC2 ZINC000246183333 497650888 /nfs/dbraw/zinc/65/08/88/497650888.db2.gz LXKTUHOMZWBNJY-AQNXPRMDSA-N 2 0 364.578 3.298 20 0 FGADRP C[NH+](C)Cc1cccc(C[NH2+]Cc2ccc(Cl)cc2-n2cncn2)c1 ZINC000280107715 497651554 /nfs/dbraw/zinc/65/15/54/497651554.db2.gz BUFOXPLYJPFKCI-UHFFFAOYSA-N 2 0 355.873 3.272 20 0 FGADRP Cc1cc(NC(=O)[C@@](C)([NH3+])c2ccccc2)ccc1OCC[NH+]1CCCC1 ZINC000262907115 497652839 /nfs/dbraw/zinc/65/28/39/497652839.db2.gz QHCVHBGWVWSNHU-QFIPXVFZSA-N 2 0 367.493 3.282 20 0 FGADRP C[C@@H](NCC1([NH+]2CCCC2)CCOCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272550640 497659277 /nfs/dbraw/zinc/65/92/77/497659277.db2.gz FENQLWKXDRZVPL-IFMALSPDSA-N 2 0 371.569 3.132 20 0 FGADRP CC(C)(C)[C@H](C[N@@H+]1CCc2ccccc2C1)NC(=O)CCC1CC[NH2+]CC1 ZINC000262961452 497667227 /nfs/dbraw/zinc/66/72/27/497667227.db2.gz KTAZRVHQKVODQK-NRFANRHFSA-N 2 0 371.569 3.355 20 0 FGADRP CCc1ccc([C@H](CNC(=O)N(C)[C@H]2CC[N@@H+](CC)C[C@H]2C)[NH+](C)C)cc1 ZINC000246315041 497694027 /nfs/dbraw/zinc/69/40/27/497694027.db2.gz BOJUBRVKZALGFH-QMMLZNLJSA-N 2 0 374.573 3.223 20 0 FGADRP C[C@H](CC(=O)Nc1cccnc1Cl)[NH2+][C@H]1CCN(C)[C@H]1c1ccccc1 ZINC000246325061 497695962 /nfs/dbraw/zinc/69/59/62/497695962.db2.gz FRHSWUMHAGCDMA-ALKREAHSSA-N 2 0 372.900 3.487 20 0 FGADRP CCOC(=O)N1CCC([NH2+][C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000272695298 497704414 /nfs/dbraw/zinc/70/44/14/497704414.db2.gz XPXJXPKWYYMKLA-MJGOQNOKSA-N 2 0 359.514 3.108 20 0 FGADRP CCC[N@@H+]1CC[C@H](CNC(=O)N2CCC[C@H](C[NH+]3CCCC[C@H]3C)C2)C1 ZINC000246367172 497710020 /nfs/dbraw/zinc/71/00/20/497710020.db2.gz LHLYEDDGIPZLGW-VAMGGRTRSA-N 2 0 364.578 3.014 20 0 FGADRP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000246380726 497714297 /nfs/dbraw/zinc/71/42/97/497714297.db2.gz HPDCILBTUXGVRD-GHTZIAJQSA-N 2 0 372.557 3.297 20 0 FGADRP CC1CC[NH+](CC(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000246389165 497717087 /nfs/dbraw/zinc/71/70/87/497717087.db2.gz OEMXTDXDARIEKW-PZJWPPBQSA-N 2 0 357.542 3.230 20 0 FGADRP CC[NH+](CC)CCOc1ccc(NC(=O)N[C@@H](C)C2=CC[N@H+](C)CC2)cc1 ZINC000272743654 497717765 /nfs/dbraw/zinc/71/77/65/497717765.db2.gz RJZKFLZVCQCJST-KRWDZBQOSA-N 2 0 374.529 3.179 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NCC[C@H](C)[NH+](C)Cc2ccccc2)[C@H](C)C1 ZINC000246397971 497720575 /nfs/dbraw/zinc/72/05/75/497720575.db2.gz JTRWKLKAUBCCDC-DYXWJJEUSA-N 2 0 374.573 3.269 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)[C@@H](C)C1 ZINC000246432738 497731776 /nfs/dbraw/zinc/73/17/76/497731776.db2.gz MTTVVBYDNGVZKK-TYPHKJRUSA-N 2 0 372.557 3.195 20 0 FGADRP Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)[C@@H]1CCCC[C@]1(C)[NH3+] ZINC000263204758 497731908 /nfs/dbraw/zinc/73/19/08/497731908.db2.gz JOIALOSXQAHGBY-PXNSSMCTSA-N 2 0 361.555 3.390 20 0 FGADRP Cn1ccnc1CN1CCC[C@H]([NH2+]Cc2ccc(C3CCCC3)cc2)C1=O ZINC000569403269 505925832 /nfs/dbraw/zinc/92/58/32/505925832.db2.gz NFRUEHXOGNPEOH-FQEVSTJZSA-N 2 0 366.509 3.359 20 0 FGADRP CCN(CCCNC(=O)N(C)[C@@H]1CC[N@H+](CC)C[C@@H]1C)c1ccccc1 ZINC000246446403 497737635 /nfs/dbraw/zinc/73/76/35/497737635.db2.gz NXZLHCNLOSNCDL-AZUAARDMSA-N 2 0 360.546 3.275 20 0 FGADRP C[C@H](CC(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1)[C@H]1CCC[NH2+]C1 ZINC000263275594 497747403 /nfs/dbraw/zinc/74/74/03/497747403.db2.gz QNAAXYXKQSNNMR-KURKYZTESA-N 2 0 363.571 3.102 20 0 FGADRP C[NH+](C)CCNC(=O)c1cccc(C[NH2+][C@H](c2cccnc2)C2CCC2)c1 ZINC000280447412 497756820 /nfs/dbraw/zinc/75/68/20/497756820.db2.gz DBVAEBLTHADZEF-NRFANRHFSA-N 2 0 366.509 3.004 20 0 FGADRP CC(C)[NH+]1CCC([NH2+]C[C@@H](CO)Cc2cccc(Br)c2)CC1 ZINC000277169695 497764062 /nfs/dbraw/zinc/76/40/62/497764062.db2.gz RUDXNSLLZWCIRI-INIZCTEOSA-N 2 0 369.347 3.063 20 0 FGADRP CCN1CC[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H](O)Cc1ccccc1C(F)(F)F ZINC000246543615 497769140 /nfs/dbraw/zinc/76/91/40/497769140.db2.gz DAUFTOUMSPVBSG-IKGGRYGDSA-N 2 0 356.432 3.167 20 0 FGADRP C[C@@H]1CCC[N@H+](CCNC(=O)N[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000246578995 497780707 /nfs/dbraw/zinc/78/07/07/497780707.db2.gz TVOQUUCESQAKBT-SVFBPWRDSA-N 2 0 372.557 3.071 20 0 FGADRP C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)c3csc(CC[NH3+])n3)cc2)C1 ZINC000194827559 497784344 /nfs/dbraw/zinc/78/43/44/497784344.db2.gz KWTBHRLCVVAPLQ-CQSZACIVSA-N 2 0 358.511 3.129 20 0 FGADRP CSC1(C[NH2+][C@@H](Cc2ccccn2)c2cccnc2)CC[NH+](C)CC1 ZINC000578405044 505931475 /nfs/dbraw/zinc/93/14/75/505931475.db2.gz MTTRFMNJYGQGOC-IBGZPJMESA-N 2 0 356.539 3.177 20 0 FGADRP COc1ccc([C@H]2C[C@@H]2[C@@H](C)[NH2+]C[C@H](C(C)C)N2CC[NH+](C)CC2)cc1 ZINC000284597174 497838759 /nfs/dbraw/zinc/83/87/59/497838759.db2.gz ZZGROSYITKQECK-BRKWEVRTSA-N 2 0 359.558 3.049 20 0 FGADRP CN(Cc1cscn1)Cc1cccc(NC(=O)CC2CC[NH+](C)CC2)c1 ZINC000292051635 497856989 /nfs/dbraw/zinc/85/69/89/497856989.db2.gz YOJXUJJGFWQERS-UHFFFAOYSA-N 2 0 372.538 3.446 20 0 FGADRP Cc1cn2c(n1)CC[C@H]([NH2+][C@H]1C[C@H]3CC[C@@H](C1)[N@H+]3Cc1ccccc1)C2 ZINC000364242257 497857738 /nfs/dbraw/zinc/85/77/38/497857738.db2.gz GNECIWDUYIEPCB-BURNTYAHSA-N 2 0 350.510 3.292 20 0 FGADRP C[C@@H]([NH2+]CC1CCN(c2cc[nH+]cc2)CC1)c1ccc(C(=O)N(C)C)cc1 ZINC000292175879 497910195 /nfs/dbraw/zinc/91/01/95/497910195.db2.gz OILVAIDENQFUDB-QGZVFWFLSA-N 2 0 366.509 3.351 20 0 FGADRP C[C@@H]([NH2+]CCc1cnc(C2CC2)nc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000364357379 497917331 /nfs/dbraw/zinc/91/73/31/497917331.db2.gz RMQPRXLNLIHJDV-UTKZUKDTSA-N 2 0 350.510 3.397 20 0 FGADRP O=C(Nc1ccc(-n2ccnc2)c(Cl)c1)c1cc(CN2CCCC2)on1 ZINC000292271382 497948366 /nfs/dbraw/zinc/94/83/66/497948366.db2.gz IUMYKNKDFADDJV-UHFFFAOYSA-N 2 0 371.828 3.362 20 0 FGADRP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(OCc2nccn2C)cc1 ZINC000364449201 497962773 /nfs/dbraw/zinc/96/27/73/497962773.db2.gz RUJDDUVUXPVJKF-UHOSZYNNSA-N 2 0 354.498 3.277 20 0 FGADRP C[C@H]([NH2+]CCC(=O)N1CCc2ccccc21)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000285218672 498025122 /nfs/dbraw/zinc/02/51/22/498025122.db2.gz XKUQPDYAFXFGMU-PKOBYXMFSA-N 2 0 355.526 3.208 20 0 FGADRP C[C@@H]([NH2+]C1(CNC(=O)N2CCC[C@@H](C[NH3+])C2)CCCC1)c1ccccc1 ZINC000575354344 505967013 /nfs/dbraw/zinc/96/70/13/505967013.db2.gz HFBLVVCTRWQLII-MSOLQXFVSA-N 2 0 358.530 3.030 20 0 FGADRP C[C@H](O)[C@@](C)(C[NH2+][C@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@H]1C)Cc1ccccc1 ZINC000364586971 498037321 /nfs/dbraw/zinc/03/73/21/498037321.db2.gz ZCPXJUJXXPQRFY-VLKNYHPOSA-N 2 0 374.569 3.095 20 0 FGADRP O[C@H]1CC[N@H+](Cc2ccccc2C[NH2+][C@@H]2CCCc3nc(Cl)ccc32)C1 ZINC000296487764 498063287 /nfs/dbraw/zinc/06/32/87/498063287.db2.gz PKSQSEMZLGSIRZ-PKOBYXMFSA-N 2 0 371.912 3.469 20 0 FGADRP [NH3+][C@@H](CC(=O)N1CCC[N@H+](CCCc2ccccc2)CC1)c1ccccc1 ZINC000569599242 505973260 /nfs/dbraw/zinc/97/32/60/505973260.db2.gz FHASSUKKJWALSY-QFIPXVFZSA-N 2 0 365.521 3.244 20 0 FGADRP CC(C)(C)[NH+]1CCC(NC(=O)N[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000581373773 505973697 /nfs/dbraw/zinc/97/36/97/505973697.db2.gz IXDRCUIEDLYURB-QFIPXVFZSA-N 2 0 372.557 3.213 20 0 FGADRP Cc1nn(C(C)C)cc1C[NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1 ZINC000281258285 498077106 /nfs/dbraw/zinc/07/71/06/498077106.db2.gz GRMBKNPOTVSEHJ-UHFFFAOYSA-N 2 0 356.514 3.019 20 0 FGADRP Cc1nn(C(C)C)cc1C[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000281353973 498116775 /nfs/dbraw/zinc/11/67/75/498116775.db2.gz MTGXTYXUSCVTJU-OAQYLSRUSA-N 2 0 356.514 3.019 20 0 FGADRP Cc1ccccc1[C@H]([C@H](C)NC(=O)Nc1cccc2c1CC[NH2+]C2)[NH+](C)C ZINC000572494728 505982665 /nfs/dbraw/zinc/98/26/65/505982665.db2.gz LAXOCYIOZXGKPR-KKSFZXQISA-N 2 0 366.509 3.454 20 0 FGADRP COc1cccc(OC)c1OCCCC[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000289404892 498135581 /nfs/dbraw/zinc/13/55/81/498135581.db2.gz LIFKVKNJSGQODK-KRWDZBQOSA-N 2 0 350.503 3.279 20 0 FGADRP CC(C)C[NH+]1CCC([NH2+]C[C@H](O)CO[C@H](C)c2ccc(Cl)cc2)CC1 ZINC000578640479 505987238 /nfs/dbraw/zinc/98/72/38/505987238.db2.gz XYWRJBAMUGBQBT-UZLBHIALSA-N 2 0 368.949 3.489 20 0 FGADRP CC[C@H](CNC(=O)N[C@H]1C[C@H](C)n2ccnc21)[N@@H+]1CCc2ccccc2C1 ZINC000569665093 505987403 /nfs/dbraw/zinc/98/74/03/505987403.db2.gz CSAQTNPWEIJHKB-IPELMVKDSA-N 2 0 367.497 3.025 20 0 FGADRP C[C@@H]([NH3+])C1CCN(C(=O)NCc2ccccc2C[N@@H+]2CCCC[C@H]2C)CC1 ZINC000569675747 505990497 /nfs/dbraw/zinc/99/04/97/505990497.db2.gz TUFHCTRNXVLDDG-QZTJIDSGSA-N 2 0 372.557 3.330 20 0 FGADRP C[C@H]([NH3+])C1CCN(C(=O)NCc2ccccc2C[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000569675748 505990628 /nfs/dbraw/zinc/99/06/28/505990628.db2.gz TUFHCTRNXVLDDG-ROUUACIJSA-N 2 0 372.557 3.330 20 0 FGADRP CC(C)c1nccn1C[C@@H]1CCC[N@@H+]1CCOCC(F)(F)C(F)F ZINC000364936137 498217711 /nfs/dbraw/zinc/21/77/11/498217711.db2.gz IXMHZIRFNXRAED-ZDUSSCGKSA-N 2 0 351.388 3.388 20 0 FGADRP CN(CCC[N@H+](C)Cc1ccco1)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000285848629 498218046 /nfs/dbraw/zinc/21/80/46/498218046.db2.gz XSWOPIBRLRFIJO-UHFFFAOYSA-N 2 0 358.486 3.327 20 0 FGADRP O[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@@H]2CCCc3nc(Cl)ccc32)CC1 ZINC000296907029 498246649 /nfs/dbraw/zinc/24/66/49/498246649.db2.gz PFNQDVUNKDTFGO-NZSAHSFTSA-N 2 0 363.933 3.470 20 0 FGADRP CCCc1cc(N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)c2ccccc2[nH+]1 ZINC000301769810 498256391 /nfs/dbraw/zinc/25/63/91/498256391.db2.gz CZLLYRQHZJYYQC-LJQANCHMSA-N 2 0 352.526 3.404 20 0 FGADRP C[NH+](C)CCN(CC[NH+](C)C)Cc1ccc(-c2cccc(F)c2F)o1 ZINC000569741504 506005228 /nfs/dbraw/zinc/00/52/28/506005228.db2.gz OTECPZRKKQEGKK-UHFFFAOYSA-N 2 0 351.441 3.150 20 0 FGADRP c1c[nH]c([C@H](NC[C@@H]2CCC[N@H+]2CCc2ccccc2)c2ccncc2)n1 ZINC000365062834 498278230 /nfs/dbraw/zinc/27/82/30/498278230.db2.gz APHVFIKPSXKFLE-LEWJYISDSA-N 2 0 361.493 3.191 20 0 FGADRP Fc1ccc(CC[NH+]2CCC(NC3CC[NH+](CC4CC4)CC3)CC2)cc1 ZINC000360869497 498317032 /nfs/dbraw/zinc/31/70/32/498317032.db2.gz FHYPZHMPBHZVEO-UHFFFAOYSA-N 2 0 359.533 3.297 20 0 FGADRP C[NH+]1CCC(O)(C[NH2+][C@H](c2cccc(OC(F)(F)F)c2)C2CC2)CC1 ZINC000286214821 498327016 /nfs/dbraw/zinc/32/70/16/498327016.db2.gz SDGASNBQBHXNNJ-INIZCTEOSA-N 2 0 358.404 3.083 20 0 FGADRP COCCC[C@@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)c1ccc(F)cc1 ZINC000282028195 498363110 /nfs/dbraw/zinc/36/31/10/498363110.db2.gz STRNTMVCGAYLHI-OAQYLSRUSA-N 2 0 365.537 3.157 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)[C@]1(c2ccccc2)CC[NH2+]C1)c1ccsc1 ZINC000581605259 506026856 /nfs/dbraw/zinc/02/68/56/506026856.db2.gz UYWATYNECOZIAH-TZIWHRDSSA-N 2 0 371.550 3.179 20 0 FGADRP COCC[C@]1(C(=O)Nc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)CC[NH2+]C1 ZINC000361717337 498422570 /nfs/dbraw/zinc/42/25/70/498422570.db2.gz DEVSWFMLZVSWAI-DYESRHJHSA-N 2 0 359.514 3.016 20 0 FGADRP C[C@@H]1CN(C(=O)c2cccc(C[NH+]3CCCC3)c2)CC[N@@H+](C2CCC2)C1 ZINC000293695909 498457855 /nfs/dbraw/zinc/45/78/55/498457855.db2.gz MUAKXBSGNPVUGC-SFHVURJKSA-N 2 0 355.526 3.229 20 0 FGADRP CN(c1ccccc1C[NH2+]Cc1ccc2c[nH+]cn2c1)C1CC[NH+](C)CC1 ZINC000297507003 498475068 /nfs/dbraw/zinc/47/50/68/498475068.db2.gz LXCPROKQPPOKLL-UHFFFAOYSA-N 3 0 363.509 3.155 20 0 FGADRP C[C@H]1C[C@@H](C(=O)N2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)CC[N@@H+]1C ZINC000293772394 498484105 /nfs/dbraw/zinc/48/41/05/498484105.db2.gz ADIRKJKUUSIGML-FPOVZHCZSA-N 2 0 369.553 3.231 20 0 FGADRP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)Cc2cscc2C(F)(F)F)CC1 ZINC000572773495 506048879 /nfs/dbraw/zinc/04/88/79/506048879.db2.gz SFBOWPJTFIBELX-GFCCVEGCSA-N 2 0 350.450 3.292 20 0 FGADRP CC[NH+]1CCN(CCC[NH2+][C@@H]2CCc3sc(Br)cc32)CC1 ZINC000293936375 498538242 /nfs/dbraw/zinc/53/82/42/498538242.db2.gz YHUUBSCBBJWRFY-CQSZACIVSA-N 2 0 372.376 3.115 20 0 FGADRP c1sc(-c2ccccc2)nc1CN1CC[NH+](CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000569931936 506050739 /nfs/dbraw/zinc/05/07/39/506050739.db2.gz QRLLPNVYQYHELV-SFHVURJKSA-N 2 0 370.566 3.317 20 0 FGADRP C[NH+](C)CCCOc1cnccc1C[NH2+][C@@H]1Cc2[nH]c3ccccc3c2C1 ZINC000575993921 506051515 /nfs/dbraw/zinc/05/15/15/506051515.db2.gz SFNYLRXAIRXTFE-KRWDZBQOSA-N 2 0 364.493 3.150 20 0 FGADRP Cc1ccccc1OC[C@H](O)C[NH2+]C1CCC([NH+]2CCC(C)CC2)CC1 ZINC000569961954 506057080 /nfs/dbraw/zinc/05/70/80/506057080.db2.gz LMTJGKLCJZADDZ-XVAXZDLZSA-N 2 0 360.542 3.367 20 0 FGADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NCc1ccc2c[nH+]cn2c1 ZINC000297861036 498591428 /nfs/dbraw/zinc/59/14/28/498591428.db2.gz PGHIQHFCLNABOW-UHFFFAOYSA-N 2 0 365.481 3.128 20 0 FGADRP Brc1cccc(-c2c[nH]c(C[NH2+]CC[C@@H]3CCC[NH2+]C3)n2)c1 ZINC000572822287 506060592 /nfs/dbraw/zinc/06/05/92/506060592.db2.gz JBCBCIXDXSFUSV-ZDUSSCGKSA-N 2 0 363.303 3.319 20 0 FGADRP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](CCn2ccc3cc(Cl)ccc32)CC1 ZINC000572829410 506062280 /nfs/dbraw/zinc/06/22/80/506062280.db2.gz FCLINCRBYXHJPL-HXUWFJFHSA-N 2 0 374.960 3.397 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)[C@@H]1CCCCCC[C@@H]1[NH3+] ZINC000576043165 506062697 /nfs/dbraw/zinc/06/26/97/506062697.db2.gz DWTHYWGFKVJLFZ-PBASOCQRSA-N 2 0 357.542 3.311 20 0 FGADRP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NCCCC[NH+]1CCC(C)CC1 ZINC000302984601 498636349 /nfs/dbraw/zinc/63/63/49/498636349.db2.gz KGGCAMHHVLASAU-ZCNNSNEGSA-N 2 0 366.594 3.164 20 0 FGADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+]CCN2CCOCC2(C)C)CC1 ZINC000581778253 506066205 /nfs/dbraw/zinc/06/62/05/506066205.db2.gz DLABFOAPDAKKDP-UHFFFAOYSA-N 2 0 359.558 3.130 20 0 FGADRP C[C@@H]1CC[NH2+][C@@H](C(=O)Nc2nc3c(s2)CN(Cc2ccccc2)CC3)C1 ZINC000578992874 506069147 /nfs/dbraw/zinc/06/91/47/506069147.db2.gz VJTYAPSSLZBVLF-RHSMWYFYSA-N 2 0 370.522 3.028 20 0 FGADRP C[C@H](CNC(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1)[N@H+](C)C1CC1 ZINC000303297280 498663034 /nfs/dbraw/zinc/66/30/34/498663034.db2.gz YCHXBXODQGFTQK-GOSISDBHSA-N 2 0 372.557 3.345 20 0 FGADRP CC[N@H+](Cc1ccc(C(=O)N2CC[C@@]3(C2)CCC[NH+](C)C3)cc1)C(C)C ZINC000294354903 498667061 /nfs/dbraw/zinc/66/70/61/498667061.db2.gz YRDHXZPNWCRLSP-QFIPXVFZSA-N 2 0 357.542 3.475 20 0 FGADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCc2ccc3c[nH+]cn3c2)C1 ZINC000570021949 506071210 /nfs/dbraw/zinc/07/12/10/506071210.db2.gz ZJWYJARMFIPEBL-MRXNPFEDSA-N 2 0 357.502 3.034 20 0 FGADRP C[NH+](C)C[C@@H](NC(=O)c1cccc(C[NH+]2CCCC2)c1)c1ccc(F)cc1 ZINC000581845235 506072596 /nfs/dbraw/zinc/07/25/96/506072596.db2.gz QHMYEPULVXSRHO-OAQYLSRUSA-N 2 0 369.484 3.454 20 0 FGADRP COC(=O)c1ccc(C[N@@H+]2CCCC[C@@H]2[C@H](C[NH3+])Cc2ccccc2)nc1 ZINC000572881830 506074524 /nfs/dbraw/zinc/07/45/24/506074524.db2.gz WWVXKBOSBRXDRW-PZJWPPBQSA-N 2 0 367.493 3.040 20 0 FGADRP CC(C)(C)OC(=O)N1CCC[C@@H](C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000298278447 498718704 /nfs/dbraw/zinc/71/87/04/498718704.db2.gz GSAWPNRPGUNUAX-KRWDZBQOSA-N 2 0 374.529 3.287 20 0 FGADRP CC(C)(C)OC(=O)N1CCC([NH2+]C2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000298283406 498720235 /nfs/dbraw/zinc/72/02/35/498720235.db2.gz GZQRHBATCHFKLC-UHFFFAOYSA-N 2 0 360.502 3.040 20 0 FGADRP Cc1c[nH+]ccc1N1CCC(C(=O)NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000363297793 498751345 /nfs/dbraw/zinc/75/13/45/498751345.db2.gz YRWPMEUCBXFABY-ROUUACIJSA-N 2 0 372.557 3.091 20 0 FGADRP CN(C(=O)CC[C@H]([NH3+])c1ccccc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000311496205 498751794 /nfs/dbraw/zinc/75/17/94/498751794.db2.gz VSIYOHVPLXRUAO-RTWAWAEBSA-N 2 0 351.494 3.200 20 0 FGADRP COc1ccc(OC2CC[NH+](C[C@@H](C[NH3+])c3ccc(F)cc3)CC2)cc1 ZINC000570079159 506085610 /nfs/dbraw/zinc/08/56/10/506085610.db2.gz BSVWEJKDLWOIMW-QGZVFWFLSA-N 2 0 358.457 3.420 20 0 FGADRP c1c(CN2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)nc2ncccn12 ZINC000363324774 498762507 /nfs/dbraw/zinc/76/25/07/498762507.db2.gz SUALYEURCXUODB-QFIPXVFZSA-N 2 0 361.493 3.217 20 0 FGADRP C[C@H]1C[NH+](CCC2CCN(Cc3cc(F)ncc3F)CC2)C[C@H](C)O1 ZINC000294667826 498766819 /nfs/dbraw/zinc/76/68/19/498766819.db2.gz CKPXAWDZFPXYLN-GJZGRUSLSA-N 2 0 353.457 3.071 20 0 FGADRP C[C@@H]1C[N@H+](CCCN[C@@H]2CC[NH+](Cc3ccccc3)C3(CC3)C2)CCCO1 ZINC000570091761 506088240 /nfs/dbraw/zinc/08/82/40/506088240.db2.gz IGSSFQUEBHHNSA-IFMALSPDSA-N 2 0 371.569 3.274 20 0 FGADRP CC(C)C[N@@H+]1CC[C@H](C[NH2+]C[C@@H](O)CO[C@H]2CCCc3ccccc32)C1 ZINC000576149333 506088572 /nfs/dbraw/zinc/08/85/72/506088572.db2.gz SZFMRPBTZBAQQI-UZKOGDIHSA-N 2 0 360.542 3.009 20 0 FGADRP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000581931424 506092956 /nfs/dbraw/zinc/09/29/56/506092956.db2.gz WEJFJNSEUAKLRZ-FXAWDEMLSA-N 2 0 374.529 3.285 20 0 FGADRP C[NH+](C)CCCOc1ccc(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000298557687 498814083 /nfs/dbraw/zinc/81/40/83/498814083.db2.gz VPSSLUQBIRMUHF-UHFFFAOYSA-N 3 0 368.525 3.171 20 0 FGADRP C[NH+](C)[C@@H](CNC(=O)N1CCC([NH+]2CCCCC2)CC1)c1ccsc1 ZINC000298643711 498837031 /nfs/dbraw/zinc/83/70/31/498837031.db2.gz DNCGSYMGHWLBPD-SFHVURJKSA-N 2 0 364.559 3.011 20 0 FGADRP C[NH+](C)CCCN(CCC[NH+](C)C)Cc1cscc1Br ZINC000573045940 506105303 /nfs/dbraw/zinc/10/53/03/506105303.db2.gz JGIWFRCCXRHVLP-UHFFFAOYSA-N 2 0 362.381 3.216 20 0 FGADRP COC(=O)c1cc(C[NH2+]Cc2cccc(C[NH+]3CCCC3)c2)n(C)c1C ZINC000291296184 498881867 /nfs/dbraw/zinc/88/18/67/498881867.db2.gz WEYGIZYWYBNNMT-UHFFFAOYSA-N 2 0 355.482 3.006 20 0 FGADRP NC(=O)c1cccc(C[N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)c1 ZINC000291454967 498946864 /nfs/dbraw/zinc/94/68/64/498946864.db2.gz MQIZTDWSRQQVDP-UHFFFAOYSA-N 2 0 363.505 3.274 20 0 FGADRP CCCOc1c(Br)cc(C[NH2+][C@H](C)C[C@H](C)[NH3+])cc1OC ZINC000576280185 506119951 /nfs/dbraw/zinc/11/99/51/506119951.db2.gz WAFBTIKNMVWZHI-NWDGAFQWSA-N 2 0 359.308 3.462 20 0 FGADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@@H](C)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000288221502 498969944 /nfs/dbraw/zinc/96/99/44/498969944.db2.gz SBNWZRXGXVLEPQ-BJLQDIEVSA-N 2 0 360.546 3.051 20 0 FGADRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@H]1CCS(=O)(=O)c2c(F)cccc21 ZINC000363748018 498972591 /nfs/dbraw/zinc/97/25/91/498972591.db2.gz RUAONBQITLRDMH-PBHICJAKSA-N 2 0 356.507 3.144 20 0 FGADRP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)NC[C@H]2CCCC[N@H+](Cc3ccccc3)C2)C1 ZINC000582052535 506122787 /nfs/dbraw/zinc/12/27/87/506122787.db2.gz FRFDKCROXSHOSY-CEWLAPEOSA-N 2 0 372.557 3.058 20 0 FGADRP C[C@H](NC(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1)[C@@H](c1ccccc1)[NH+](C)C ZINC000288309145 498991270 /nfs/dbraw/zinc/99/12/70/498991270.db2.gz XFINGXWAOYIGQJ-WMQCIHAUSA-N 2 0 372.557 3.051 20 0 FGADRP C[C@@H]1CN(Cc2ccccc2NC(=O)c2ccc3c[nH+]cn3c2)C[C@H](C)O1 ZINC000283925547 499013113 /nfs/dbraw/zinc/01/31/13/499013113.db2.gz JIELHDJKODDCNL-IYBDPMFKSA-N 2 0 364.449 3.196 20 0 FGADRP C[NH+]1CCC(N2CC[C@@H]([NH2+][C@@H](c3ccc(F)cc3)c3ccccn3)C2)CC1 ZINC000363832658 499016424 /nfs/dbraw/zinc/01/64/24/499016424.db2.gz XQZLFMXOKDFFDI-KNQAVFIVSA-N 2 0 368.500 3.068 20 0 FGADRP Cc1cc(NC(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)cnc1N1CCCC[C@H]1C ZINC000333580945 499034416 /nfs/dbraw/zinc/03/44/16/499034416.db2.gz ZSQDDPHAIBPFBM-DYESRHJHSA-N 2 0 371.529 3.328 20 0 FGADRP CNC(=O)c1ccc(C[NH2+]C[C@]2(C)CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000366996883 499131878 /nfs/dbraw/zinc/13/18/78/499131878.db2.gz KLYALCJCFHVOND-QFIPXVFZSA-N 2 0 351.494 3.048 20 0 FGADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]C[C@H]3CCC4(CCOCC4)[C@@H]3O)CC2)C1 ZINC000367127699 499152149 /nfs/dbraw/zinc/15/21/49/499152149.db2.gz VCLPBKVCUMXWRD-RMVXJAJNSA-N 2 0 364.574 3.187 20 0 FGADRP CC(C)(C)[NH+]1CCC([NH2+][C@H]2CCc3nnc(-c4ccc(F)cc4)n3C2)CC1 ZINC000369985819 499161684 /nfs/dbraw/zinc/16/16/84/499161684.db2.gz PIDJBYBYCJKMNR-SFHVURJKSA-N 2 0 371.504 3.252 20 0 FGADRP CC(C)(C)C(=O)N1CCC(C[N@@H+]2CCC[C@H](C[NH+]3CCCCC3)C2)CC1 ZINC000372801726 499177400 /nfs/dbraw/zinc/17/74/00/499177400.db2.gz LNPBQPCRUNAXQH-HXUWFJFHSA-N 2 0 363.590 3.469 20 0 FGADRP C[N@H+](Cc1ccc2c(c1)CC(C)(C)O2)C1CC[NH+](C2CCOCC2)CC1 ZINC000367432926 499198428 /nfs/dbraw/zinc/19/84/28/499198428.db2.gz RNVMNRBVXIRYGW-UHFFFAOYSA-N 2 0 358.526 3.475 20 0 FGADRP C[N@@H+]1CC[C@H]([NH2+]Cc2cccc(C(=O)NCc3ccco3)c2)[C@@H]2CCC[C@@H]21 ZINC000367610070 499217068 /nfs/dbraw/zinc/21/70/68/499217068.db2.gz ZXMGIMBIDNWAHJ-ACRUOGEOSA-N 2 0 367.493 3.172 20 0 FGADRP Cc1cc(N2CCC([N@@H+](C)Cc3cn(C)nc3C(C)(C)C)CC2)nc(C)n1 ZINC000367748710 499230345 /nfs/dbraw/zinc/23/03/45/499230345.db2.gz JLOCXPWZNNSXSF-UHFFFAOYSA-N 2 0 370.545 3.225 20 0 FGADRP CC[C@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccc(OC(F)F)cc1 ZINC000370637383 499238399 /nfs/dbraw/zinc/23/83/99/499238399.db2.gz UWEPHPWSJCSVGW-APWZRJJASA-N 2 0 367.484 3.497 20 0 FGADRP COC[C@@H](Cc1ccccc1)[NH2+]CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000370661454 499241197 /nfs/dbraw/zinc/24/11/97/499241197.db2.gz GCBRUVVVXNPQAS-JOCHJYFZSA-N 2 0 373.585 3.030 20 0 FGADRP C[C@H](C1CC1)N(C(=O)C[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1)C1CC1 ZINC000367888846 499242005 /nfs/dbraw/zinc/24/20/05/499242005.db2.gz ZBPHTWXDPSIFTH-QGZVFWFLSA-N 2 0 370.541 3.019 20 0 FGADRP C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000370676626 499243406 /nfs/dbraw/zinc/24/34/06/499243406.db2.gz MOROMUSSFUTGSW-KBAYOESNSA-N 2 0 363.933 3.293 20 0 FGADRP O=C(Oc1ccccc1)N1CCC[C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000367999480 499253600 /nfs/dbraw/zinc/25/36/00/499253600.db2.gz UYKZVRIQIBBSKD-IPMKNSEASA-N 2 0 357.498 3.256 20 0 FGADRP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)NCC2(C)CC[NH+](C)CC2)CC1 ZINC000368002755 499253745 /nfs/dbraw/zinc/25/37/45/499253745.db2.gz SZSLELNWMCZYMU-SFHVURJKSA-N 2 0 372.557 3.243 20 0 FGADRP COc1ccc([C@@H]2[C@H](C[NH2+][C@H](C)C(C)(C)n3cncn3)CCCN2C)cc1 ZINC000368114916 499265859 /nfs/dbraw/zinc/26/58/59/499265859.db2.gz KMCLGCJVEJHZSP-IMFGXOCKSA-N 2 0 371.529 3.083 20 0 FGADRP Cc1nnc(N2CCC([NH2+]Cc3ccc(C[NH+]4CCCC4)cc3)CC2)s1 ZINC000368428799 499295012 /nfs/dbraw/zinc/29/50/12/499295012.db2.gz IQMYZJIFQHALPG-UHFFFAOYSA-N 2 0 371.554 3.201 20 0 FGADRP CCN(C(=O)c1ccc(C[NH3+])cc1)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000368453742 499297402 /nfs/dbraw/zinc/29/74/02/499297402.db2.gz MJTSUHQGXQXPFH-DYESRHJHSA-N 2 0 351.494 3.443 20 0 FGADRP CO[C@H](C[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21)c1ccc(Cl)cc1 ZINC000368480902 499300462 /nfs/dbraw/zinc/30/04/62/499300462.db2.gz CRQJTDWZULFYFJ-INDMIFKZSA-N 2 0 352.906 3.211 20 0 FGADRP C[C@H](C[C@H](O)c1ccc(F)cc1)[NH2+][C@@H]1CCN(C[C@@H]2CCCO2)C[C@@H]1C ZINC000371258322 499303087 /nfs/dbraw/zinc/30/30/87/499303087.db2.gz NGSXPUJEKBKHJA-FNCFORQESA-N 2 0 364.505 3.117 20 0 FGADRP Cc1cccc(C)c1OCCC[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000371302987 499307624 /nfs/dbraw/zinc/30/76/24/499307624.db2.gz LXUAVRRDRQQFBO-LEWJYISDSA-N 2 0 359.558 3.030 20 0 FGADRP CC(C)[C@H](C[NH2+]C1CC(c2cc(F)cc(F)c2)C1)N1CC[NH+](C)CC1 ZINC000368566062 499308351 /nfs/dbraw/zinc/30/83/51/499308351.db2.gz HASHNDQMLCBKMM-GQOXECLESA-N 2 0 351.485 3.072 20 0 FGADRP Cc1cc(N2CC[C@H]([NH+]3CCN(C)CC3)[C@H](C)C2)c2cc(F)ccc2[nH+]1 ZINC000371352048 499314122 /nfs/dbraw/zinc/31/41/22/499314122.db2.gz WQAPMGJXSBVTIF-QRWLVFNGSA-N 2 0 356.489 3.145 20 0 FGADRP C[NH+]1CCC2(CCCN2C(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)CC1 ZINC000371403383 499321655 /nfs/dbraw/zinc/32/16/55/499321655.db2.gz QEDSRWFZWPODPM-FQEVSTJZSA-N 2 0 370.541 3.093 20 0 FGADRP C[N@@H+]1CC[C@@H](C[NH2+]C2CCN(Cc3ccccn3)CC2)[C@H]1c1ccccc1 ZINC000371521044 499337340 /nfs/dbraw/zinc/33/73/40/499337340.db2.gz YQAAHMBOZOGACJ-NZQKXSOJSA-N 2 0 364.537 3.329 20 0 FGADRP CCC[NH+]1CCN(C2CC[NH+](CCOc3ccccc3Cl)CC2)CC1 ZINC000369157180 499371965 /nfs/dbraw/zinc/37/19/65/499371965.db2.gz RGYHJDXMAGQFGI-UHFFFAOYSA-N 2 0 365.949 3.211 20 0 FGADRP Cc1cccnc1[C@H]1CCC[C@H]([NH2+]CC2CC[NH+](CCN(C)C)CC2)C1 ZINC000369194355 499376041 /nfs/dbraw/zinc/37/60/41/499376041.db2.gz OZEHHSKOXHZUDU-SFTDATJTSA-N 2 0 358.574 3.279 20 0 FGADRP CCOc1c(OC)cc(C[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)cc1OC ZINC000369205095 499377206 /nfs/dbraw/zinc/37/72/06/499377206.db2.gz QURVQIQZUWGJLZ-UHFFFAOYSA-N 2 0 362.514 3.410 20 0 FGADRP Cc1ncc(CN2CC[C@@H]([NH2+]C3CC[NH+](C(C)C)CC3)[C@H](C)C2)s1 ZINC000372046240 499392743 /nfs/dbraw/zinc/39/27/43/499392743.db2.gz KFNVCUWSIXXLMN-DNVCBOLYSA-N 2 0 350.576 3.124 20 0 FGADRP O=C(c1ccc(C[NH+]2CCCC2)cc1)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000372190505 499407057 /nfs/dbraw/zinc/40/70/57/499407057.db2.gz BNNWJBUESZYHAT-IFMALSPDSA-N 2 0 367.537 3.371 20 0 FGADRP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+][C@@H]2CCO[C@]4(CCOC4)C2)C3)cc1 ZINC000373201779 499456975 /nfs/dbraw/zinc/45/69/75/499456975.db2.gz FTXPLSDDVOBWSN-QMCAAQAGSA-N 2 0 356.510 3.110 20 0 FGADRP CN1CC[NH+](CC2(C)CC[NH+](CCOc3ccccc3Cl)CC2)CC1 ZINC000375237408 499497859 /nfs/dbraw/zinc/49/78/59/499497859.db2.gz NVILRNXSBOOONB-UHFFFAOYSA-N 2 0 365.949 3.068 20 0 FGADRP C[N@H+](C[C@H]1CC12CCN(C(=O)[C@H]1CC[NH+](C3CCCCC3)C1)CC2)C1CC1 ZINC000378354461 499506350 /nfs/dbraw/zinc/50/63/50/499506350.db2.gz JVUHVVKOAIJRTD-RBUKOAKNSA-N 2 0 373.585 3.364 20 0 FGADRP C[C@@H]1C[C@@H](NC(=O)[C@@H]2C[NH2+]Cc3ccccc32)CC[N@@H+]1Cc1ccccc1 ZINC000379660707 499542521 /nfs/dbraw/zinc/54/25/21/499542521.db2.gz CTACDIMKQYTZKU-PIPMEXSNSA-N 2 0 363.505 3.043 20 0 FGADRP Cn1ncc2c1ncnc2NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000388975278 499551838 /nfs/dbraw/zinc/55/18/38/499551838.db2.gz PLWFAOINSBFWFP-KRWDZBQOSA-N 2 0 350.470 3.078 20 0 FGADRP COc1cc(C[NH2+][C@H]2CCN(Cc3ccccc3)[C@H]2C)cc2c1OCO2 ZINC000389416771 499552769 /nfs/dbraw/zinc/55/27/69/499552769.db2.gz MPKSJQSNXUJCKA-YJBOKZPZSA-N 2 0 354.450 3.177 20 0 FGADRP [NH3+][C@@H]1C[C@@H](NC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)c2ccccc21 ZINC000390586234 499554622 /nfs/dbraw/zinc/55/46/22/499554622.db2.gz FOMNDEZJUVGAIO-VLCRHTCISA-N 2 0 351.494 3.012 20 0 FGADRP CC(C)Oc1cccc(C[NH2+]CCN2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000390665606 499555100 /nfs/dbraw/zinc/55/51/00/499555100.db2.gz MTWWHUZZVYVAFC-UHFFFAOYSA-N 2 0 367.537 3.381 20 0 FGADRP OC1(C[NH2+][C@@H]2Cc3ccc(Cl)cc3C2)CC[NH+](Cc2ccccc2)CC1 ZINC000397702948 499564602 /nfs/dbraw/zinc/56/46/02/499564602.db2.gz VXVLWFZXRPCANO-OAQYLSRUSA-N 2 0 370.924 3.424 20 0 FGADRP O=C(NC1CC([NH+]2CCCCC2)C1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000376016906 499576490 /nfs/dbraw/zinc/57/64/90/499576490.db2.gz YZBLJBATKDMVHO-UHFFFAOYSA-N 2 0 355.526 3.419 20 0 FGADRP O=C(NC1CC[NH+](C2CC2)CC1)[C@@H]1CCn2c(cnc2C2CCCCC2)C1 ZINC000376643457 499625548 /nfs/dbraw/zinc/62/55/48/499625548.db2.gz NRMGTZIWZUQHLC-QGZVFWFLSA-N 2 0 370.541 3.236 20 0 FGADRP CC(C)[NH+]1CCN(CCC[NH+]2CCC(Nc3ccc(F)cc3)CC2)CC1 ZINC000376740519 499633336 /nfs/dbraw/zinc/63/33/36/499633336.db2.gz VXNOMSBJHAQUJG-UHFFFAOYSA-N 2 0 362.537 3.118 20 0 FGADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]C3CCN(c4cccnn4)CC3)CC2)C1 ZINC000376982969 499651646 /nfs/dbraw/zinc/65/16/46/499651646.db2.gz PASYKSUCXXBHIY-XLIONFOSSA-N 2 0 357.546 3.078 20 0 FGADRP CC(C)[NH+]1CCN(C(=O)NCc2ccccc2C[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000410369364 499658036 /nfs/dbraw/zinc/65/80/36/499658036.db2.gz DTDNECPOLGJRRZ-IBGZPJMESA-N 2 0 372.557 3.297 20 0 FGADRP C[NH+](C)Cc1ccccc1C(=O)N1C[C@@H]2C[N@H+](C)[C@@H](c3ccccc3)[C@H]2C1 ZINC000377320072 499679624 /nfs/dbraw/zinc/67/96/24/499679624.db2.gz GSEONSPDRFIWBY-BVSLBCMMSA-N 2 0 363.505 3.123 20 0 FGADRP Cc1cc(N2CCC([N@H+](C)CC[C@H](O)c3ccccc3)CC2)nc(C)n1 ZINC000377581343 499706709 /nfs/dbraw/zinc/70/67/09/499706709.db2.gz DKACDUOHRBDTMJ-FQEVSTJZSA-N 2 0 354.498 3.118 20 0 FGADRP O=C1C[C@H]([C@@H]2CCCC[N@@H+]2Cc2cccc(C[NH+]3CCCCC3)c2)CN1 ZINC000411410107 499736343 /nfs/dbraw/zinc/73/63/43/499736343.db2.gz CIMHSECIHBRJES-SFTDATJTSA-N 2 0 355.526 3.163 20 0 FGADRP C[NH+](C)Cc1c2ccccc2oc1C(=O)N1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1 ZINC000377805786 499736854 /nfs/dbraw/zinc/73/68/54/499736854.db2.gz XWIQPELNMHJUOG-IEZWGBDMSA-N 2 0 367.493 3.051 20 0 FGADRP C[NH+](C)Cc1c2ccccc2oc1C(=O)N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000377805787 499736936 /nfs/dbraw/zinc/73/69/36/499736936.db2.gz XWIQPELNMHJUOG-KVSKMBFKSA-N 2 0 367.493 3.051 20 0 FGADRP Cc1nccn1C[C@@H](C)CNC(=O)c1cccc(C[NH+]2CCCCC2)c1 ZINC000411539354 499752539 /nfs/dbraw/zinc/75/25/39/499752539.db2.gz MFQVWDIOXIDXDZ-KRWDZBQOSA-N 2 0 354.498 3.244 20 0 FGADRP C[C@@H]1CC[C@@H]([NH2+]CC2(N3CCOCC3)CC[NH+](C)CC2)c2ccccc21 ZINC000414200251 499768215 /nfs/dbraw/zinc/76/82/15/499768215.db2.gz RPCZUDAKDSODAM-WIYYLYMNSA-N 2 0 357.542 3.011 20 0 FGADRP Cc1ccc(C)c2c1CCC[C@H]2[NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000414204527 499768438 /nfs/dbraw/zinc/76/84/38/499768438.db2.gz WKKGKCVVWHOANI-OAQYLSRUSA-N 2 0 371.569 3.067 20 0 FGADRP CO[C@H](c1ccccc1)[C@@H](C)[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000414294221 499775080 /nfs/dbraw/zinc/77/50/80/499775080.db2.gz BSVXYHMQDGVMPF-KNQAVFIVSA-N 2 0 368.521 3.379 20 0 FGADRP Cc1cc([C@@H](C)[NH2+]Cc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)oc1C ZINC000414342943 499779330 /nfs/dbraw/zinc/77/93/30/499779330.db2.gz PVXJLHDUHGFFQL-MRXNPFEDSA-N 2 0 369.509 3.445 20 0 FGADRP CC(C)[NH+]1CCC(NC(=O)C[NH2+][C@]2(c3ccc(Cl)cc3)C[C@@H]2C)CC1 ZINC000411699269 499779815 /nfs/dbraw/zinc/77/98/15/499779815.db2.gz YIPKTKABFLVXKU-MGPUTAFESA-N 2 0 363.933 3.154 20 0 FGADRP O=C([C@@H]1CC[N@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C1)N1CCCC1 ZINC000411743575 499785483 /nfs/dbraw/zinc/78/54/83/499785483.db2.gz SJMYMCPFZJZDCV-OAQYLSRUSA-N 2 0 355.526 3.117 20 0 FGADRP C[C@H](CC[NH+]1CC[C@]2(C1)CCCOC2)CC[N@@H+]1CC[C@@]2(C1)CCCOC2 ZINC000411767640 499788423 /nfs/dbraw/zinc/78/84/23/499788423.db2.gz ODXXQWCNWDVVKV-KOUNCHBCSA-N 2 0 364.574 3.408 20 0 FGADRP O[C@@H]1C[C@@H]([C@@H]2CCCOC2)[N@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000411785388 499790345 /nfs/dbraw/zinc/79/03/45/499790345.db2.gz JRVBQLZJLVXRLG-VSKRKVRLSA-N 2 0 358.526 3.034 20 0 FGADRP OC(C[NH+]1CCSC2(CCC2)CC1)C[N@@H+]1CCSC2(CCC2)CC1 ZINC000411870137 499798188 /nfs/dbraw/zinc/79/81/88/499798188.db2.gz OMUGUNSKMJRFMB-UHFFFAOYSA-N 2 0 370.628 3.071 20 0 FGADRP OC1(C[NH2+]Cc2ccnn2C2CCCC2)CC[NH+](Cc2ccccc2)CC1 ZINC000414523412 499803061 /nfs/dbraw/zinc/80/30/61/499803061.db2.gz IBTGTGAKAVIWBN-UHFFFAOYSA-N 2 0 368.525 3.115 20 0 FGADRP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3cn(C4CCCC4)nc3-c3ccccn3)C[C@H]12 ZINC000414670769 499819114 /nfs/dbraw/zinc/81/91/14/499819114.db2.gz MRYBSYNYOAJBCB-ZYSHUDEJSA-N 2 0 351.498 3.229 20 0 FGADRP C[C@@H]1C[C@H](C[NH+]2CCC([C@@H]3C(=O)Nc4cc(Cl)ccc43)CC2)CC[NH2+]1 ZINC000414754778 499826996 /nfs/dbraw/zinc/82/69/96/499826996.db2.gz YKEFVPOJBUDAPY-LPMFXHHGSA-N 2 0 361.917 3.476 20 0 FGADRP Cc1ccc(OCc2nc(C[N@H+]3CC[C@H]4C[NH2+]C[C@H]4CC3)cs2)cc1 ZINC000414766962 499828468 /nfs/dbraw/zinc/82/84/68/499828468.db2.gz IWLIGLNUCCKQCJ-CALCHBBNSA-N 2 0 357.523 3.462 20 0 FGADRP CC[C@H](CCc1ccc(Br)cc1)[NH2+]CCCN1CC[NH2+]CC1 ZINC000414780799 499830473 /nfs/dbraw/zinc/83/04/73/499830473.db2.gz MBWANYNTTAOBNS-GOSISDBHSA-N 2 0 368.363 3.045 20 0 FGADRP CCCOc1c(C[N@@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)cccc1OCC ZINC000414791757 499831590 /nfs/dbraw/zinc/83/15/90/499831590.db2.gz QVCRXGNKMLRERA-GOSISDBHSA-N 2 0 362.514 3.061 20 0 FGADRP COc1ccc(C[NH2+][C@H]2CCCC[C@@H]2C[NH3+])cc1OCc1cccnc1 ZINC000414802797 499832959 /nfs/dbraw/zinc/83/29/59/499832959.db2.gz NEJLECKWFUZITO-MOPGFXCFSA-N 2 0 355.482 3.276 20 0 FGADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]Cc1cc(Br)c2c(c1)OCCCO2 ZINC000414803725 499832978 /nfs/dbraw/zinc/83/29/78/499832978.db2.gz NXANANCWLUSOMM-HIFRSBDPSA-N 2 0 369.303 3.218 20 0 FGADRP COc1cc(C[NH2+][C@H]2CCCC[C@@H]2C[NH3+])ccc1OCc1ccncc1 ZINC000414801737 499833005 /nfs/dbraw/zinc/83/30/05/499833005.db2.gz MCDGLJXKJHCPNH-MOPGFXCFSA-N 2 0 355.482 3.276 20 0 FGADRP CCOc1cc(C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])cc(Br)c1OC ZINC000414809366 499833530 /nfs/dbraw/zinc/83/35/30/499833530.db2.gz UBEMXIHTUSZTHF-DZGCQCFKSA-N 2 0 371.319 3.464 20 0 FGADRP COc1ccc(C[NH2+]CC[C@H]2CCC[NH2+]C2)cc1OCc1cccnc1 ZINC000414849715 499837530 /nfs/dbraw/zinc/83/75/30/499837530.db2.gz YIGBPIVEVYTPGK-QGZVFWFLSA-N 2 0 355.482 3.149 20 0 FGADRP C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]C[C@]1(C)CCC[NH2+]C1 ZINC000414899237 499843111 /nfs/dbraw/zinc/84/31/11/499843111.db2.gz CITWHVWEAQRITF-SUMWQHHRSA-N 2 0 357.420 3.402 20 0 FGADRP COc1ccc(C[NH2+]CC2(C)CC[NH2+]CC2)cc1OCc1cccnc1 ZINC000414912772 499844096 /nfs/dbraw/zinc/84/40/96/499844096.db2.gz VURLAFWXUSWYSL-UHFFFAOYSA-N 2 0 355.482 3.149 20 0 FGADRP CC1(C[NH2+]Cc2cn(-c3ccc(Cl)c(Cl)c3)nn2)CC[NH2+]CC1 ZINC000414913369 499844397 /nfs/dbraw/zinc/84/43/97/499844397.db2.gz WOZQTBBATKNUQY-UHFFFAOYSA-N 2 0 354.285 3.053 20 0 FGADRP C[C@H]1CC[NH2+]C[C@@H]1NCc1ccc(Br)c(Br)c1 ZINC000414931338 499845460 /nfs/dbraw/zinc/84/54/60/499845460.db2.gz PXIVNIPQNBLEBX-ZANVPECISA-N 2 0 362.109 3.299 20 0 FGADRP COCC1(C[NH2+]Cc2cn(-c3ccccc3)nc2C(C)C)CC[NH2+]CC1 ZINC000414950603 499847797 /nfs/dbraw/zinc/84/77/97/499847797.db2.gz FOIYXIDELMPFAC-UHFFFAOYSA-N 2 0 356.514 3.102 20 0 FGADRP C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000414969125 499849803 /nfs/dbraw/zinc/84/98/03/499849803.db2.gz IYBJPVVBLQGHOX-ZFWWWQNUSA-N 2 0 368.319 3.288 20 0 FGADRP C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]C[C@H]1CCC[C@@H]([NH3+])C1 ZINC000414992623 499852283 /nfs/dbraw/zinc/85/22/83/499852283.db2.gz BVMCAMXAOKNQAF-RVKKMQEKSA-N 2 0 351.922 3.184 20 0 FGADRP C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000415002391 499853703 /nfs/dbraw/zinc/85/37/03/499853703.db2.gz DGFZZZUKZPSNDP-RVSPLBMKSA-N 2 0 369.431 3.400 20 0 FGADRP COc1ccc(OCc2ccccn2)c(C[NH2+]C[C@@H]2CCC[C@H]([NH3+])C2)c1 ZINC000415004060 499854020 /nfs/dbraw/zinc/85/40/20/499854020.db2.gz NRMUHHRQXSEGEM-AEFFLSMTSA-N 2 0 355.482 3.276 20 0 FGADRP C[C@H](CCCC[NH3+])[NH2+]Cc1c(F)ccc(I)c1F ZINC000415017480 499855367 /nfs/dbraw/zinc/85/53/67/499855367.db2.gz RZCBHPDICUJZGX-SECBINFHSA-N 2 0 368.209 3.177 20 0 FGADRP COc1cc(C[NH2+][C@H](C)CCC[NH3+])cc(Br)c1OC(F)F ZINC000415025332 499855805 /nfs/dbraw/zinc/85/58/05/499855805.db2.gz QOQDPAVZGBLVFL-SECBINFHSA-N 2 0 367.234 3.276 20 0 FGADRP Cc1cc(C[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)sc1Br ZINC000415060737 499859804 /nfs/dbraw/zinc/85/98/04/499859804.db2.gz XKQPUSBTJGDMRT-UHFFFAOYSA-N 2 0 372.376 3.125 20 0 FGADRP Brc1ccccc1CN1CCC([NH2+]CCC[NH2+]C2CC2)CC1 ZINC000415065708 499860327 /nfs/dbraw/zinc/86/03/27/499860327.db2.gz HLCDPTJSTPUNPS-UHFFFAOYSA-N 2 0 366.347 3.145 20 0 FGADRP FC(F)(F)c1cccc(CN2CCC([NH2+][C@@H]3CCC[NH2+]CC3)CC2)c1 ZINC000415096964 499862995 /nfs/dbraw/zinc/86/29/95/499862995.db2.gz CHCVIESOABPQAI-QGZVFWFLSA-N 2 0 355.448 3.402 20 0 FGADRP CC(C)[N@@H+]1CCc2nc(CN3C[C@H](C)[NH2+]Cc4ccccc43)sc2C1 ZINC000415096553 499863024 /nfs/dbraw/zinc/86/30/24/499863024.db2.gz DRHZIFRZDHSONM-HNNXBMFYSA-N 2 0 356.539 3.408 20 0 FGADRP CCN1CC[C@@H]([NH2+]C2CCC(C[NH3+])CC2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000415106710 499864367 /nfs/dbraw/zinc/86/43/67/499864367.db2.gz NEJOHRULHMMAAV-ZQZNADQNSA-N 2 0 355.448 3.346 20 0 FGADRP Cc1cc(C[NH+]2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)ccc1Br ZINC000415106910 499864635 /nfs/dbraw/zinc/86/46/35/499864635.db2.gz KBDSKLLBZDZNAK-MSOLQXFVSA-N 2 0 367.331 3.476 20 0 FGADRP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000415124000 499866802 /nfs/dbraw/zinc/86/68/02/499866802.db2.gz LXXUIDHGLNHPSK-FCHUYYIVSA-N 3 0 373.585 3.363 20 0 FGADRP [NH3+][C@H]1CCO[C@@H](C2CC[NH+](Cc3cccc(Br)c3)CC2)C1 ZINC000415129662 499867715 /nfs/dbraw/zinc/86/77/15/499867715.db2.gz VPLIRWCHRITSRL-DLBZAZTESA-N 2 0 353.304 3.167 20 0 FGADRP Cc1ccccc1[C@H]([C@@H](C)NC(=O)Nc1ccc2c(c1)C[NH2+]CC2)[NH+](C)C ZINC000415893376 499925095 /nfs/dbraw/zinc/92/50/95/499925095.db2.gz KJYJTDINWCNGPZ-IERDGZPVSA-N 2 0 366.509 3.454 20 0 FGADRP C[NH2+]Cc1ccccc1NC(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000415896714 499925592 /nfs/dbraw/zinc/92/55/92/499925592.db2.gz DWOHEGONGRVDPC-UHFFFAOYSA-N 2 0 370.472 3.331 20 0 FGADRP C[C@@H](NC(=O)Nc1ccc2c(c1)C[NH2+]CC2)[C@H](c1ccccc1)[NH+](C)C ZINC000415896771 499925674 /nfs/dbraw/zinc/92/56/74/499925674.db2.gz PFQLKRBIAHWAEK-FOIQADDNSA-N 2 0 352.482 3.145 20 0 FGADRP CN(C(=O)Nc1ccc2c(c1)C[NH2+]CC2)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000415901157 499926166 /nfs/dbraw/zinc/92/61/66/499926166.db2.gz UNHDJNAYWOWNQQ-NRFANRHFSA-N 2 0 364.493 3.071 20 0 FGADRP C[NH2+]Cc1cccc(NC(=O)NC[C@H](C2CC2)[N@H+](C)Cc2ccccc2)c1 ZINC000415937034 499930679 /nfs/dbraw/zinc/93/06/79/499930679.db2.gz XBGYHHNPKHQXSM-OAQYLSRUSA-N 2 0 366.509 3.438 20 0 FGADRP C[C@H]1CCC[N@H+](CCCCNC(=O)Nc2ccc3c(c2F)CC[NH2+]C3)C1 ZINC000415963460 499934353 /nfs/dbraw/zinc/93/43/53/499934353.db2.gz VPQRBQZMSNKJMP-HNNXBMFYSA-N 2 0 362.493 3.105 20 0 FGADRP CCN(C(=O)Nc1ccc(C[NH3+])cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000415964040 499934365 /nfs/dbraw/zinc/93/43/65/499934365.db2.gz VSUULWZWOFCIBN-HXUWFJFHSA-N 2 0 352.482 3.274 20 0 FGADRP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000415966565 499934852 /nfs/dbraw/zinc/93/48/52/499934852.db2.gz AHBQXPYAXIHZNX-IBGZPJMESA-N 2 0 352.482 3.131 20 0 FGADRP [NH3+]Cc1ccc(NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cc1 ZINC000415980625 499936794 /nfs/dbraw/zinc/93/67/94/499936794.db2.gz TUEVRGZBRUCVTM-SEJPIABJSA-N 2 0 364.493 3.462 20 0 FGADRP C[NH2+]Cc1ccc(NC(=O)N[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000415979607 499936907 /nfs/dbraw/zinc/93/69/07/499936907.db2.gz DTCFKCOEYYGFDT-UZLBHIALSA-N 2 0 352.482 3.048 20 0 FGADRP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000415996948 499939012 /nfs/dbraw/zinc/93/90/12/499939012.db2.gz OLJZXAMSHJMILF-SFHVURJKSA-N 2 0 364.493 3.276 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N1CCCC[C@H]1[C@H]1CCC[NH2+]C1 ZINC000417037807 499954745 /nfs/dbraw/zinc/95/47/45/499954745.db2.gz IRQWWRBXNISLKV-AABGKKOBSA-N 2 0 364.578 3.205 20 0 FGADRP COc1ccc([C@H](C[NH+](C)C)NC(=O)C[C@@H](c2ccccc2)[NH+](C)C)cc1 ZINC000416241034 499991677 /nfs/dbraw/zinc/99/16/77/499991677.db2.gz KRNRBDOSWXTYCP-SFTDATJTSA-N 2 0 369.509 3.107 20 0 FGADRP CC(C)c1ccc([C@@H]([NH3+])CNC(=O)NC2CC[NH+](C(C)(C)C)CC2)cc1 ZINC000417173604 499995661 /nfs/dbraw/zinc/99/56/61/499995661.db2.gz HMMIUCJVZONWRM-IBGZPJMESA-N 2 0 360.546 3.372 20 0 FGADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)NC2CCC(C[NH+](C)C)CC2)C1 ZINC000429079781 500000046 /nfs/dbraw/zinc/00/00/46/500000046.db2.gz BFMXWCPXZXJNTP-SDEKRAFDSA-N 2 0 372.557 3.242 20 0 FGADRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCCC[C@@H]2[C@@H]2CCC[NH2+]C2)C1 ZINC000417236577 500013847 /nfs/dbraw/zinc/01/38/47/500013847.db2.gz GDGYHVKFRYAEAZ-GUDVDZBRSA-N 2 0 364.578 3.061 20 0 FGADRP COc1ccc(C[NH2+]C2CCC([NH+](C)C)CC2)c(Br)c1O ZINC000421380700 500032059 /nfs/dbraw/zinc/03/20/59/500032059.db2.gz ZELFAXUJELJJPQ-UHFFFAOYSA-N 2 0 357.292 3.126 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)NCc1ccc([C@@H](C)[NH3+])cc1)c1ccco1 ZINC000417310737 500036740 /nfs/dbraw/zinc/03/67/40/500036740.db2.gz KSDSWXOWCJZWQX-CRAIPNDOSA-N 2 0 358.486 3.182 20 0 FGADRP CSC[C@H]1CCC[NH+](CCOCC[N@H+]2CCC[C@H](CSC)C2)C1 ZINC000429289542 500044457 /nfs/dbraw/zinc/04/44/57/500044457.db2.gz BZSNMAKVYMEYAL-ROUUACIJSA-N 2 0 360.633 3.153 20 0 FGADRP COc1cc2[nH+]ccc(N3CC[C@H]([NH+]4CC=CC4)C3)c2cc1Br ZINC000425223166 500048623 /nfs/dbraw/zinc/04/86/23/500048623.db2.gz BLWAPBDMYSRFCB-ZDUSSCGKSA-N 2 0 374.282 3.456 20 0 FGADRP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@H]2CCN(CC(F)F)C2)CC1 ZINC000417381093 500054314 /nfs/dbraw/zinc/05/43/14/500054314.db2.gz ICBKEICIODECRG-APWZRJJASA-N 2 0 351.485 3.011 20 0 FGADRP FC(F)CN1CC[C@H]([NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000417385302 500056425 /nfs/dbraw/zinc/05/64/25/500056425.db2.gz LYROTRDAGPGRGY-IYWMVGAKSA-N 2 0 363.496 3.216 20 0 FGADRP CS[C@H]1CC[C@@H]1[NH2+]Cc1cccc(OCC[N@H+](C)C2CCOCC2)c1 ZINC000425350982 500082643 /nfs/dbraw/zinc/08/26/43/500082643.db2.gz LVFKMFRZKMZMIW-PMACEKPBSA-N 2 0 364.555 3.160 20 0 FGADRP C[C@@H]([NH3+])c1ccc(CNC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000429515566 500092124 /nfs/dbraw/zinc/09/21/24/500092124.db2.gz BSCVZLOQSCOCLF-DYESRHJHSA-N 2 0 351.494 3.235 20 0 FGADRP CCCN(C(=O)NCC(C)(C)[N@@H+]1CCC[C@H](CC)C1)C1CC[NH2+]CC1 ZINC000417583403 500116425 /nfs/dbraw/zinc/11/64/25/500116425.db2.gz KJDIHOOLHYDTPG-KRWDZBQOSA-N 2 0 352.567 3.061 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)N[C@H](C)CCC[NH3+])c1ccccc1Cl ZINC000416827348 500131497 /nfs/dbraw/zinc/13/14/97/500131497.db2.gz CNYHSFXXTPJZRH-PBHICJAKSA-N 2 0 354.926 3.150 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N1CC[C@@H]([NH3+])[C@@H](C)C1)c1ccccc1Cl ZINC000416839199 500134783 /nfs/dbraw/zinc/13/47/83/500134783.db2.gz JOQQCYCTKHWCIU-BMGDILEWSA-N 2 0 366.937 3.102 20 0 FGADRP C[C@H]([NH3+])c1ccc(CNC(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)cc1 ZINC000416840303 500135598 /nfs/dbraw/zinc/13/55/98/500135598.db2.gz LATJGJBAYAIWFW-YJBOKZPZSA-N 2 0 372.538 3.404 20 0 FGADRP CC[C@@H]1CCC[C@H]1[NH2+][C@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000429762968 500138885 /nfs/dbraw/zinc/13/88/85/500138885.db2.gz HEYKBVQCHAVYIY-YFVAEKQCSA-N 2 0 357.542 3.324 20 0 FGADRP CC1(C)C[C@@H](c2ccccc2)[N@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000425546242 500140629 /nfs/dbraw/zinc/14/06/29/500140629.db2.gz SZESDOHBTFOTTJ-FQEVSTJZSA-N 2 0 355.526 3.203 20 0 FGADRP C[C@@H]([NH3+])c1ccc(CNC(=O)NCCC[N@H+](C)Cc2ccccc2)cc1 ZINC000416870815 500143927 /nfs/dbraw/zinc/14/39/27/500143927.db2.gz IWNFFAYZHNKWTR-QGZVFWFLSA-N 2 0 354.498 3.028 20 0 FGADRP CC[NH2+]CC1CCN(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000416888581 500148580 /nfs/dbraw/zinc/14/85/80/500148580.db2.gz JGHVSWBPLRYJBT-UHFFFAOYSA-N 2 0 372.557 3.204 20 0 FGADRP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)NCC2([NH3+])CCCCC2)CC1 ZINC000417696432 500150849 /nfs/dbraw/zinc/15/08/49/500150849.db2.gz VJSHWVAEEUWQJQ-QGZVFWFLSA-N 2 0 358.530 3.173 20 0 FGADRP CCC(CC)(CNC(=O)N1CCC[C@@H]([NH2+]C)C1)[NH2+][C@@H](C)c1ccccc1 ZINC000417697367 500150957 /nfs/dbraw/zinc/15/09/57/500150957.db2.gz DQEHBSXLBSENKU-PKOBYXMFSA-N 2 0 360.546 3.289 20 0 FGADRP CCC(CC)(CNC(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2)[NH2+][C@@H](C)c1ccccc1 ZINC000417696245 500151097 /nfs/dbraw/zinc/15/10/97/500151097.db2.gz CFCRYKYFCHAWNX-SXLOBPIMSA-N 2 0 372.557 3.432 20 0 FGADRP CCc1ccccc1[C@@H]([NH3+])CNC(=O)NCCCCC[NH+]1CCCCC1 ZINC000417699334 500151540 /nfs/dbraw/zinc/15/15/40/500151540.db2.gz FOUVQHRXUICTQT-FQEVSTJZSA-N 2 0 360.546 3.204 20 0 FGADRP C[C@@H]([NH2+]C1(CNC(=O)NCC[C@H]2CCC[NH2+]2)CCCC1)c1ccccc1 ZINC000417700912 500151948 /nfs/dbraw/zinc/15/19/48/500151948.db2.gz JAZFGLYBAOAKLC-IEBWSBKVSA-N 2 0 358.530 3.091 20 0 FGADRP CCC(CC)(CNC(=O)N1CC[C@H]([NH3+])[C@@H](C)C1)[NH2+][C@H](C)c1ccccc1 ZINC000417709558 500154393 /nfs/dbraw/zinc/15/43/93/500154393.db2.gz SXYCJJZPSZKNSL-SCTDSRPQSA-N 2 0 360.546 3.275 20 0 FGADRP CCCN1C[C@H](C[NH2+]C2CCC([N@H+](C)Cc3ccccc3)CC2)CC1=O ZINC000421872462 500167459 /nfs/dbraw/zinc/16/74/59/500167459.db2.gz GUEHWVYSQZAGCJ-MWXLCCTBSA-N 2 0 357.542 3.278 20 0 FGADRP C[NH2+]C[C@@H]1CCCN(C(=O)NCc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)C1 ZINC000416967094 500168859 /nfs/dbraw/zinc/16/88/59/500168859.db2.gz GTGNUIZOSHDRSR-NQIIRXRSSA-N 2 0 372.557 3.060 20 0 FGADRP C[C@@H](CCCC[NH3+])NC(=O)NCc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000416969165 500169297 /nfs/dbraw/zinc/16/92/97/500169297.db2.gz KIBQNYVLVUSNOD-ROUUACIJSA-N 2 0 360.546 3.235 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)NC[C@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000416969818 500170266 /nfs/dbraw/zinc/17/02/66/500170266.db2.gz CQXAEPLWHHWSSE-JRGCBEDISA-N 2 0 372.557 3.378 20 0 FGADRP CC1CC[NH+](Cc2ccc(CNC(=O)NC[C@@H]3CCC[C@H]([NH3+])C3)cc2)CC1 ZINC000416973744 500172280 /nfs/dbraw/zinc/17/22/80/500172280.db2.gz KEWMXMGJSKOEFG-RTWAWAEBSA-N 2 0 372.557 3.235 20 0 FGADRP CC1CC[NH+](Cc2ccc(CNC(=O)N3CC[C@H](C)[C@H](C[NH3+])C3)cc2)CC1 ZINC000416976932 500173521 /nfs/dbraw/zinc/17/35/21/500173521.db2.gz OUTMIPLFGYOTMR-GHTZIAJQSA-N 2 0 372.557 3.045 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N1CCCC[C@@H]1[C@H](C)[NH3+])c1ccsc1 ZINC000417006548 500182371 /nfs/dbraw/zinc/18/23/71/500182371.db2.gz JSTUHQWMTRJDOX-USXIJHARSA-N 2 0 352.548 3.042 20 0 FGADRP C[NH+](C)[C@H](CNC(=O)N[C@H](CCC[NH3+])c1ccccc1)c1ccsc1 ZINC000417015531 500184011 /nfs/dbraw/zinc/18/40/11/500184011.db2.gz MQJBNDNCKLLKAK-QZTJIDSGSA-N 2 0 360.527 3.130 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N(C)CC[C@@H]([NH3+])C(C)C)c1ccsc1 ZINC000417012140 500184029 /nfs/dbraw/zinc/18/40/29/500184029.db2.gz VWFIMAWVMINTGK-IAGOWNOFSA-N 2 0 354.564 3.146 20 0 FGADRP C[NH2+][C@@H]1CCCN(C(=O)NC[C@@H](CC(C)C)[NH2+][C@H](C)c2ccccc2)C1 ZINC000417866137 500186985 /nfs/dbraw/zinc/18/69/85/500186985.db2.gz DCSGAMABXKCUGM-MISYRCLQSA-N 2 0 360.546 3.145 20 0 FGADRP CCCC[N@H+](CC)Cc1cccc(CNC(=O)N2CC[C@H]([NH3+])[C@@H](C)C2)c1 ZINC000417870428 500188069 /nfs/dbraw/zinc/18/80/69/500188069.db2.gz FXXVAQKMPZVZDJ-PXNSSMCTSA-N 2 0 360.546 3.187 20 0 FGADRP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)N[C@H](C[NH3+])c2ccc3ccccc3c2)C1 ZINC000417872088 500188126 /nfs/dbraw/zinc/18/81/26/500188126.db2.gz IIEAVLCFRRRVPY-LAUBAEHRSA-N 2 0 368.525 3.117 20 0 FGADRP CCCC[N@H+](CC)Cc1cccc(CNC(=O)N[C@@H](C)[C@@H]2CCC[NH2+]C2)c1 ZINC000417881812 500190775 /nfs/dbraw/zinc/19/07/75/500190775.db2.gz RJDMRPJPULENAR-GHTZIAJQSA-N 2 0 374.573 3.496 20 0 FGADRP CCCC[N@H+](CC)Cc1cccc(CNC(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000417887144 500192185 /nfs/dbraw/zinc/19/21/85/500192185.db2.gz WRGGXEHGVIIEEP-LEWJYISDSA-N 2 0 372.557 3.060 20 0 FGADRP CCC1(CNC(=O)N2CCC[C@@H]2C[NH2+]C)CC[NH+](Cc2ccccc2)CC1 ZINC000417927318 500199369 /nfs/dbraw/zinc/19/93/69/500199369.db2.gz PSVGFRUCJRVDOP-HXUWFJFHSA-N 2 0 372.557 3.072 20 0 FGADRP CCn1cncc1C[NH2+]CCc1ccc(OCC[NH+]2C[C@@H](C)[C@H](C)C2)cc1 ZINC000417978525 500208076 /nfs/dbraw/zinc/20/80/76/500208076.db2.gz YKUBDMKQECCIRI-RTBURBONSA-N 2 0 370.541 3.202 20 0 FGADRP CC(C)N1CC[C@H](NC(=O)NC(C)(C)C[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000418008615 500213760 /nfs/dbraw/zinc/21/37/60/500213760.db2.gz RLJXGGBABNBWBB-HOTGVXAUSA-N 2 0 370.900 3.039 20 0 FGADRP COc1ccccc1-c1ncc(C[NH+]2CCC(CC[NH+](C)C)CC2)cn1 ZINC000430245350 500214565 /nfs/dbraw/zinc/21/45/65/500214565.db2.gz BEBJSGAFTWEEHU-UHFFFAOYSA-N 2 0 354.498 3.316 20 0 FGADRP C[NH2+]C[C@@H]1CCCN(C(=O)NCc2ccccc2C[NH+]2CCC(C)CC2)C1 ZINC000418060690 500223998 /nfs/dbraw/zinc/22/39/98/500223998.db2.gz CLPMZQVQKVTHNF-IBGZPJMESA-N 2 0 372.557 3.060 20 0 FGADRP C[C@H]([NH3+])C1CCN(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)CC1 ZINC000418150119 500237488 /nfs/dbraw/zinc/23/74/88/500237488.db2.gz CDXKXLLXAUJZOS-FXAWDEMLSA-N 2 0 372.557 3.056 20 0 FGADRP C[C@@H]1CCN(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)[C@H](C[NH3+])C1 ZINC000418164486 500240450 /nfs/dbraw/zinc/24/04/50/500240450.db2.gz WYVVDSXGJOPBNS-HOJAQTOUSA-N 2 0 372.557 3.056 20 0 FGADRP C[C@H](CCCC[NH3+])NC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000418166074 500240490 /nfs/dbraw/zinc/24/04/90/500240490.db2.gz YWFVYJCAIZVTTM-MJGOQNOKSA-N 2 0 360.546 3.104 20 0 FGADRP CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC(=O)NC1CCC([NH+](C)C)CC1 ZINC000422247350 500241074 /nfs/dbraw/zinc/24/10/74/500241074.db2.gz WKFZDCUQYQZGQM-MKCYZYCBSA-N 2 0 352.567 3.059 20 0 FGADRP Cc1ccccc1[C@H]([C@@H](C)NC(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1)[NH+](C)C ZINC000418183994 500244494 /nfs/dbraw/zinc/24/44/94/500244494.db2.gz PFKVPKZJADMWJL-QFUCXCTJSA-N 2 0 372.557 3.017 20 0 FGADRP C[C@@H](CCCC[NH3+])NC(=O)NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000418233513 500253840 /nfs/dbraw/zinc/25/38/40/500253840.db2.gz ISFXEAZSWPJCAC-AZUAARDMSA-N 2 0 360.546 3.105 20 0 FGADRP CC[NH2+]CC1CC[NH+]([C@@H](C)C(=O)Nc2ccc(C(F)(F)F)cc2)CC1 ZINC000430577034 500257045 /nfs/dbraw/zinc/25/70/45/500257045.db2.gz NMUITCUUFFEXLW-ZDUSSCGKSA-N 2 0 357.420 3.354 20 0 FGADRP CC[NH2+]CC1CC[NH+]([C@@H](C)C(=O)Nc2ccc(Br)cc2)CC1 ZINC000430593871 500259736 /nfs/dbraw/zinc/25/97/36/500259736.db2.gz PQPJSBJSKIHKQD-ZDUSSCGKSA-N 2 0 368.319 3.098 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)N[C@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000418402041 500272447 /nfs/dbraw/zinc/27/24/47/500272447.db2.gz ARDHSHKQEZRIKS-RLLQIKCJSA-N 2 0 364.578 3.190 20 0 FGADRP [NH3+][C@@H]1CCCCCC[C@@H]1C(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000430707455 500272771 /nfs/dbraw/zinc/27/27/71/500272771.db2.gz QDGUNIZYYQOELV-LEWJYISDSA-N 2 0 373.541 3.075 20 0 FGADRP O=C(NCc1ccccc1C[NH+]1CCCCCC1)[C@H]1CCC[N@@H+]1C1CC1 ZINC000426455947 500273958 /nfs/dbraw/zinc/27/39/58/500273958.db2.gz VFOGIGDHIJJMKB-OAQYLSRUSA-N 2 0 355.526 3.306 20 0 FGADRP CC[C@@H]1CC[C@@H](C)C[C@@H]1[NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000430715854 500273926 /nfs/dbraw/zinc/27/39/26/500273926.db2.gz BLZYOAUVHOXSIW-AQNXPRMDSA-N 2 0 359.562 3.183 20 0 FGADRP CCC([NH3+])(CC)CNC(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000418429678 500275572 /nfs/dbraw/zinc/27/55/72/500275572.db2.gz SKCHWUYXZIAPKZ-NRFANRHFSA-N 2 0 372.557 3.202 20 0 FGADRP CC[NH+](CC)CCN(Cc1cccs1)C(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000418439121 500276674 /nfs/dbraw/zinc/27/66/74/500276674.db2.gz XZHBBPWQPUMBOJ-WMZOPIPTSA-N 2 0 366.575 3.119 20 0 FGADRP CCCC[C@H](C[NH3+])NC(=O)N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000418461669 500280090 /nfs/dbraw/zinc/28/00/90/500280090.db2.gz JFBPMAYXMADVBS-PKOBYXMFSA-N 2 0 352.567 3.190 20 0 FGADRP CCCC[C@@H](C[NH3+])NC(=O)N1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000418476443 500280987 /nfs/dbraw/zinc/28/09/87/500280987.db2.gz WUQDUWMAHDTZDJ-FQEVSTJZSA-N 2 0 360.546 3.058 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@H](C[NH3+])c2ccc3ccccc3c2)[C@H](C)C1 ZINC000418486402 500282492 /nfs/dbraw/zinc/28/24/92/500282492.db2.gz JJUBWVKXYYCWEQ-HBGVWJBISA-N 2 0 368.525 3.211 20 0 FGADRP C[C@H]1C[C@@H](N(C)C(=O)NCC2(C)CC[NH2+]CC2)CC[N@@H+]1Cc1ccccc1 ZINC000418530077 500287828 /nfs/dbraw/zinc/28/78/28/500287828.db2.gz VHLHCNUNOPEAGK-ICSRJNTNSA-N 2 0 372.557 3.071 20 0 FGADRP C[C@H](C[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)N1CCc2ccccc21 ZINC000422714540 500288793 /nfs/dbraw/zinc/28/87/93/500288793.db2.gz LAFLKYSAWTVPAZ-HCLVMJGWSA-N 2 0 363.505 3.283 20 0 FGADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1 ZINC000422726476 500290508 /nfs/dbraw/zinc/29/05/08/500290508.db2.gz DZBZZOXLJOHJFO-GRDNDAEWSA-N 2 0 357.420 3.271 20 0 FGADRP CC1CC[NH+](Cc2cccc(C[NH2+][C@@H]3CCOC[C@H]3[C@@H]3CCC[NH2+]3)c2)CC1 ZINC000422745363 500292806 /nfs/dbraw/zinc/29/28/06/500292806.db2.gz UWVWOFBKLGIZRN-RJGXRXQPSA-N 3 0 371.569 3.165 20 0 FGADRP CC[N@H+](C)Cc1cccc(C[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000422745462 500293378 /nfs/dbraw/zinc/29/33/78/500293378.db2.gz VEMVSQWKBXMQCF-GGAORHGYSA-N 3 0 365.521 3.484 20 0 FGADRP C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)NCc2ccc3c(c2)C[NH2+]C3)C1 ZINC000418590906 500294533 /nfs/dbraw/zinc/29/45/33/500294533.db2.gz UGLYKWSCXFRQRQ-PKOBYXMFSA-N 2 0 370.541 3.086 20 0 FGADRP CN(C)[C@H](C[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1cccs1 ZINC000422772546 500295622 /nfs/dbraw/zinc/29/56/22/500295622.db2.gz YWVGWFRJIZTOLH-SQGPQFPESA-N 2 0 357.523 3.196 20 0 FGADRP C[C@@H](CCCC[NH3+])[NH2+][C@H](c1ccccc1)c1cccc(S(C)(=O)=O)c1 ZINC000422791002 500298333 /nfs/dbraw/zinc/29/83/33/500298333.db2.gz CVJNLALDTGQCCB-OXJNMPFZSA-N 2 0 360.523 3.287 20 0 FGADRP COc1ccc(OC)c(C[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000422800542 500299428 /nfs/dbraw/zinc/29/94/28/500299428.db2.gz CDTSIJIFQLJBJP-RXVVDRJESA-N 2 0 354.450 3.049 20 0 FGADRP CC1(C(=O)NC[C@@H]([NH3+])c2ccccc2)CC[NH+](Cc2ccccc2)CC1 ZINC000422803845 500300176 /nfs/dbraw/zinc/30/01/76/500300176.db2.gz JSIXZMPQTPSLIW-HXUWFJFHSA-N 2 0 351.494 3.105 20 0 FGADRP Fc1ccc(OCC[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c(F)c1 ZINC000422818758 500301927 /nfs/dbraw/zinc/30/19/27/500301927.db2.gz LEOCPZCPXWKLKW-PXNSSMCTSA-N 2 0 360.404 3.189 20 0 FGADRP COc1ccc([C@@H](NC2CC[NH+](C3CCCC3)CC2)[C@H]2CCC[NH2+]2)cc1 ZINC000422838485 500304450 /nfs/dbraw/zinc/30/44/50/500304450.db2.gz ONVQIOGYDCQFGJ-FGZHOGPDSA-N 2 0 357.542 3.485 20 0 FGADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1ccccc1C[NH+]1CCN(c2ccccc2)CC1 ZINC000422844404 500304611 /nfs/dbraw/zinc/30/46/11/500304611.db2.gz LRNRAIHHESELQD-WOJBJXKFSA-N 3 0 366.553 3.224 20 0 FGADRP CC1(C(=O)N[C@H](C[NH3+])C2CCCCC2)CC[NH+](Cc2ccccc2)CC1 ZINC000422854260 500305847 /nfs/dbraw/zinc/30/58/47/500305847.db2.gz ZZPFJTJYEXQUEB-HXUWFJFHSA-N 2 0 357.542 3.313 20 0 FGADRP [NH3+]CCC[C@H](NC(=O)N1CCC[C@@H]1C[NH+]1CCCCC1)c1ccccc1 ZINC000418678280 500306711 /nfs/dbraw/zinc/30/67/11/500306711.db2.gz SLGGANNHISTCRI-UXHICEINSA-N 2 0 358.530 3.127 20 0 FGADRP CN(C(=O)NC[C@H]1CC[C@H](C[NH3+])CC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000418680302 500307011 /nfs/dbraw/zinc/30/70/11/500307011.db2.gz FUACUPDIJOZWHG-WGSAOQKQSA-N 2 0 372.557 3.058 20 0 FGADRP [NH3+]CC1CCC([NH2+]C2CCN(c3ccc(C(F)(F)F)cn3)CC2)CC1 ZINC000422863027 500307272 /nfs/dbraw/zinc/30/72/72/500307272.db2.gz OLGNKRKAHFTLDC-UHFFFAOYSA-N 2 0 356.436 3.176 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCN[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000422873644 500308921 /nfs/dbraw/zinc/30/89/21/500308921.db2.gz AVOWLUDHUZJMDP-MXKPZRPRSA-N 2 0 357.542 3.200 20 0 FGADRP C[C@@H]1C[N@H+](CCC(=O)N[C@@H](c2cccs2)c2ccccc2)CC[C@@H]1[NH3+] ZINC000430932326 500309121 /nfs/dbraw/zinc/30/91/21/500309121.db2.gz DZMUFHBPDSURGG-OXFYSEKESA-N 2 0 357.523 3.013 20 0 FGADRP COC1CC[NH+](C2(CN[C@@H]3CCC[C@@H]3[C@H]3CCCC[NH2+]3)CCCC2)CC1 ZINC000422888177 500310896 /nfs/dbraw/zinc/31/08/96/500310896.db2.gz MJSGNGAAVJUWCN-NJDAHSKKSA-N 2 0 363.590 3.310 20 0 FGADRP COC[C@@H](CCC[NH3+])[NH2+][C@H](c1nc2ccccc2n1C)c1ccccc1 ZINC000422885907 500310942 /nfs/dbraw/zinc/31/09/42/500310942.db2.gz ZKSKOMOUVDIUDH-XLIONFOSSA-N 2 0 352.482 3.006 20 0 FGADRP C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)NC[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000418716625 500311516 /nfs/dbraw/zinc/31/15/16/500311516.db2.gz JGFNRWJMCRUZLD-LEWJYISDSA-N 2 0 372.557 3.058 20 0 FGADRP COc1cccc(C2(C[NH2+][C@@H]3CCOC[C@H]3[C@H]3CCC[NH2+]3)CCCC2)c1 ZINC000422890083 500311528 /nfs/dbraw/zinc/31/15/28/500311528.db2.gz RCDQKLUTSLKTEO-PWRODBHTSA-N 2 0 358.526 3.254 20 0 FGADRP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@H]1CCC[C@H]([NH3+])C1 ZINC000418715874 500311923 /nfs/dbraw/zinc/31/19/23/500311923.db2.gz BPOYHTCFPUKGRB-HBMCJLEFSA-N 2 0 372.557 3.058 20 0 FGADRP CC[C@@H](C)NC(=O)c1cccc(C[NH2+][C@@H](C)c2ccc(C[NH3+])nc2C)c1 ZINC000422893480 500312038 /nfs/dbraw/zinc/31/20/38/500312038.db2.gz QSPHQIYJYQMUIS-CABCVRRESA-N 2 0 354.498 3.228 20 0 FGADRP C[C@@H]1CN(CC(=O)N2CCC[C@H]2c2ccc(Cl)c(Cl)c2)CC[C@H]1[NH3+] ZINC000430952261 500312297 /nfs/dbraw/zinc/31/22/97/500312297.db2.gz YJYAUZGKPKMTOV-JLZZUVOBSA-N 2 0 370.324 3.326 20 0 FGADRP COCCOc1ccc([C@@H](C)[NH2+][C@H](C)c2ccc(C[NH3+])nc2C)cc1OC ZINC000422893393 500312513 /nfs/dbraw/zinc/31/25/13/500312513.db2.gz QIAXZTGQJWUZQG-HUUCEWRRSA-N 2 0 373.497 3.294 20 0 FGADRP C[C@@H]([NH2+]C1CCN(Cc2ccc(Br)cc2)CC1)[C@@H]1CCC[NH2+]1 ZINC000422895682 500312643 /nfs/dbraw/zinc/31/26/43/500312643.db2.gz WQCNERGSVPMASU-KDOFPFPSSA-N 2 0 366.347 3.144 20 0 FGADRP C[C@@H]([NH3+])C1CC[NH+](CC(=O)N(C)C(c2ccccc2)c2ccccc2)CC1 ZINC000430962960 500313573 /nfs/dbraw/zinc/31/35/73/500313573.db2.gz RIHRFCWRKMGSMG-GOSISDBHSA-N 2 0 365.521 3.294 20 0 FGADRP CC[C@H](C[NH2+][C@@H]1CCOC[C@H]1[C@H](C)[NH3+])Oc1ccccc1C(F)(F)F ZINC000422920526 500316780 /nfs/dbraw/zinc/31/67/80/500316780.db2.gz MWCKRSTYWMPKRA-KNCOVGOOSA-N 2 0 360.420 3.205 20 0 FGADRP CC[C@H](C[NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1)Oc1cccc(Cl)c1 ZINC000422929165 500318158 /nfs/dbraw/zinc/31/81/58/500318158.db2.gz OMSBSMXEWLOFOF-NXWXRZEISA-N 2 0 352.906 3.244 20 0 FGADRP CCOC(=O)C1([C@@H](C)[NH2+][C@@H]2CCOc3c(Cl)cccc32)CC[NH2+]CC1 ZINC000422938176 500320052 /nfs/dbraw/zinc/32/00/52/500320052.db2.gz GTHQEOATAJHCBP-CZUORRHYSA-N 2 0 366.889 3.075 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)NCCC[C@@H]2CCC[NH2+]2)CC1 ZINC000418763179 500320179 /nfs/dbraw/zinc/32/01/79/500320179.db2.gz HUOTWGOXBBZXCW-QUCCMNQESA-N 2 0 364.578 3.205 20 0 FGADRP CC[NH+]1CCN(Cc2ccc(NC(=O)[C@@H]3CCCCCC[C@@H]3[NH3+])cc2)CC1 ZINC000431004413 500321114 /nfs/dbraw/zinc/32/11/14/500321114.db2.gz QZUYTNAIVUSWOM-RTWAWAEBSA-N 2 0 372.557 3.060 20 0 FGADRP C[C@@H]([NH2+]CC1(c2cccc(Br)c2)CCOCC1)[C@@H]1CCC[NH2+]1 ZINC000422949621 500322794 /nfs/dbraw/zinc/32/27/94/500322794.db2.gz UPAMOBNPFXKCDY-PBHICJAKSA-N 2 0 367.331 3.227 20 0 FGADRP CCCN(C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000418788879 500323595 /nfs/dbraw/zinc/32/35/95/500323595.db2.gz LMSPVGSJNMROJC-NJYVYQBISA-N 2 0 372.557 3.200 20 0 FGADRP O=C(CCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1)N1Cc2ccccc2C1 ZINC000422956778 500324029 /nfs/dbraw/zinc/32/40/29/500324029.db2.gz LXMHHQSWXBJAOD-QHAWAJNXSA-N 2 0 355.526 3.209 20 0 FGADRP C[C@@H]1CC[N@H+](CCOc2ccc(NC(=O)[C@@H]3C[C@@H]4CCCC[C@H]4[NH2+]3)cc2)C1 ZINC000431018981 500324033 /nfs/dbraw/zinc/32/40/33/500324033.db2.gz ZEOMPCWULQLQMW-OVQGTLEDSA-N 2 0 371.525 3.266 20 0 FGADRP CCOC(=O)C1([C@H](C)[NH2+][C@H](c2ccco2)c2ccccc2)CC[NH2+]CC1 ZINC000422965929 500324571 /nfs/dbraw/zinc/32/45/71/500324571.db2.gz QFVBCVVNLMYBRO-LPHOPBHVSA-N 2 0 356.466 3.280 20 0 FGADRP C[C@H](c1cc2ccccc2o1)N(C)C(=O)C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000431020712 500324775 /nfs/dbraw/zinc/32/47/75/500324775.db2.gz CXTKTTMHVBOIEO-MRXNPFEDSA-N 2 0 355.482 3.028 20 0 FGADRP c1coc([C@H](C[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)N2CCCC2)c1 ZINC000422964436 500324977 /nfs/dbraw/zinc/32/49/77/500324977.db2.gz LOSCHQDZEODHSS-DXIQSLLYSA-N 2 0 367.493 3.262 20 0 FGADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]Cc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000422970186 500325268 /nfs/dbraw/zinc/32/52/68/500325268.db2.gz VSVYVFOGZQQAMU-IMRHEYAYSA-N 3 0 367.537 3.257 20 0 FGADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]Cc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000422970189 500325675 /nfs/dbraw/zinc/32/56/75/500325675.db2.gz VSVYVFOGZQQAMU-RTFZILSDSA-N 3 0 367.537 3.257 20 0 FGADRP [NH3+][C@@H]1C[C@H](Nc2cccc(C[NH+]3CCC(CO)CC3)c2)c2ccccc21 ZINC000422977589 500326186 /nfs/dbraw/zinc/32/61/86/500326186.db2.gz FXKNAJNKKRRKOM-YADHBBJMSA-N 2 0 351.494 3.448 20 0 FGADRP C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)c1ccc2c(ccn2CCC[NH3+])c1 ZINC000431059785 500329972 /nfs/dbraw/zinc/32/99/72/500329972.db2.gz CGSDPGKQXMMONZ-KURKYZTESA-N 2 0 370.541 3.086 20 0 FGADRP CCOC(=O)C1([C@@H](C)[NH2+]Cc2ccc(Cl)cc2OCC)CC[NH2+]CC1 ZINC000423007636 500330359 /nfs/dbraw/zinc/33/03/59/500330359.db2.gz YCGMOPFRFMGEFR-CQSZACIVSA-N 2 0 368.905 3.150 20 0 FGADRP FC(F)(F)COCc1cccc(C[NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000423006032 500330569 /nfs/dbraw/zinc/33/05/69/500330569.db2.gz UDKXMUCIJMKKMI-FGTMMUONSA-N 2 0 372.431 3.012 20 0 FGADRP CCN1CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@H]1c1ccc(Cl)c(F)c1 ZINC000423012671 500330810 /nfs/dbraw/zinc/33/08/10/500330810.db2.gz DMFYFIGKOZGKIZ-OFKVKOQWSA-N 2 0 351.897 3.487 20 0 FGADRP [NH3+][C@@H]1C[C@@H]([NH2+]CCc2ccc(OCC[NH+]3CCCC3)cc2)c2ccccc21 ZINC000423020084 500331452 /nfs/dbraw/zinc/33/14/52/500331452.db2.gz YQTPSKAALGTHBM-DHIUTWEWSA-N 3 0 365.521 3.438 20 0 FGADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]C[C@@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000423020892 500331643 /nfs/dbraw/zinc/33/16/43/500331643.db2.gz DBQBZETUPLDXNT-UVDFWXMISA-N 2 0 353.913 3.450 20 0 FGADRP O=C1C[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)CN1c1ccc(Cl)c(F)c1 ZINC000423024777 500332634 /nfs/dbraw/zinc/33/26/34/500332634.db2.gz MOTRWJOJCPEBJH-BAGBSZHRSA-N 2 0 365.880 3.095 20 0 FGADRP Cn1cc(CC[NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)c2ccc(Cl)cc21 ZINC000423064110 500337477 /nfs/dbraw/zinc/33/74/77/500337477.db2.gz QLASPXQVAKGYOQ-IPMKNSEASA-N 2 0 361.917 3.121 20 0 FGADRP C[C@@H]1C[C@H](CCNC(=O)[C@@H]2CCC[N@@H+]2C2CC2)C[NH+]1Cc1ccccc1 ZINC000426980427 500341050 /nfs/dbraw/zinc/34/10/50/500341050.db2.gz AHKNERIMXUDEEC-LMNJBCLMSA-N 2 0 355.526 3.030 20 0 FGADRP CCOC(=O)C1([C@H](C)[NH2+][C@@H]2CC[C@@H](c3ccccc3F)C2)CC[NH2+]CC1 ZINC000423092217 500341295 /nfs/dbraw/zinc/34/12/95/500341295.db2.gz AYUGNSMKIRQBNZ-GVDBMIGSSA-N 2 0 362.489 3.373 20 0 FGADRP [NH3+]CC1CCC([NH2+][C@H](CO)c2ccc(Cl)cc2C(F)(F)F)CC1 ZINC000423097954 500341793 /nfs/dbraw/zinc/34/17/93/500341793.db2.gz RPQMDXQSMDULLW-MBRGGSNBSA-N 2 0 350.812 3.499 20 0 FGADRP C[C@H]([NH2+]C[C@H](c1ccc(Cl)cc1)N(C)CCC(F)(F)F)C1C[NH2+]C1 ZINC000423106156 500343110 /nfs/dbraw/zinc/34/31/10/500343110.db2.gz OKYMCYHNKXFATO-BLLLJJGKSA-N 2 0 363.855 3.463 20 0 FGADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@@H]1CCCN(C(=O)Cc2ccccc2)C1 ZINC000423108212 500343371 /nfs/dbraw/zinc/34/33/71/500343371.db2.gz FSIWKNDEEGDSQU-HMXCVIKNSA-N 2 0 357.542 3.121 20 0 FGADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]CC1(c2ccccc2Br)CCC1 ZINC000423134437 500347078 /nfs/dbraw/zinc/34/70/78/500347078.db2.gz RWMUMSADFGOJFV-JJRVBVJISA-N 2 0 367.331 3.213 20 0 FGADRP CCOC(=O)C1([C@H](C)[NH2+][C@@H]2CCCc3c(F)cc(F)cc32)CC[NH2+]CC1 ZINC000423144520 500347884 /nfs/dbraw/zinc/34/78/84/500347884.db2.gz HHXJDFZMJAINIK-SCLBCKFNSA-N 2 0 366.452 3.253 20 0 FGADRP CCOC(=O)C1([C@@H](C)[NH2+][C@H]2CCc3cc(F)c(F)c(F)c32)CC[NH2+]CC1 ZINC000423154052 500349299 /nfs/dbraw/zinc/34/92/99/500349299.db2.gz IOVKQKSMGULPKS-RISCZKNCSA-N 2 0 370.415 3.002 20 0 FGADRP Clc1ccc(OCC[NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)cc1Cl ZINC000423154737 500349378 /nfs/dbraw/zinc/34/93/78/500349378.db2.gz IDCLPULLMKLTGK-IAOVAPTHSA-N 2 0 359.297 3.119 20 0 FGADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]C1CCN(Cc2cccc(Br)c2)CC1 ZINC000423173871 500351352 /nfs/dbraw/zinc/35/13/52/500351352.db2.gz AKGBOERMPIMKHV-YJBOKZPZSA-N 2 0 366.347 3.131 20 0 FGADRP C[C@@H]([NH2+]CCCN1CC[NH2+]CC1)c1ccc2ccccc2c1OC(F)F ZINC000423179508 500351746 /nfs/dbraw/zinc/35/17/46/500351746.db2.gz MIGANMLTPGRHLW-OAHLLOKOSA-N 2 0 363.452 3.387 20 0 FGADRP CS(=O)(=O)c1cccc([C@@H]([NH2+]CCCC[NH3+])c2ccc(Cl)cc2)c1 ZINC000423319963 500364041 /nfs/dbraw/zinc/36/40/41/500364041.db2.gz FUOKNUDVTOHAKO-SFHVURJKSA-N 2 0 366.914 3.161 20 0 FGADRP [NH3+][C@@H](C[NH2+][C@@H](c1cccc(Br)c1)C1CCOCC1)C1CC1 ZINC000423331764 500364923 /nfs/dbraw/zinc/36/49/23/500364923.db2.gz UVHOPAANWMHFKG-DLBZAZTESA-N 2 0 353.304 3.244 20 0 FGADRP C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)[C@H]2[NH2+]CCCC2(C)C)CC1 ZINC000423383816 500369079 /nfs/dbraw/zinc/36/90/79/500369079.db2.gz PQARVHDEIMIWQX-HXUWFJFHSA-N 2 0 357.542 3.135 20 0 FGADRP COCC1(C[NH2+][C@@H](C)c2ccc(F)c(Br)c2)CC[NH2+]CC1 ZINC000423392946 500369855 /nfs/dbraw/zinc/36/98/55/500369855.db2.gz OURDZFDBMJGHFY-LBPRGKRZSA-N 2 0 359.283 3.255 20 0 FGADRP C[C@H]([NH2+][C@@H]1CC[NH2+]C[C@@H]1C)c1ccc(OC[C@H]2CCCCO2)c(F)c1 ZINC000423399649 500370384 /nfs/dbraw/zinc/37/03/84/500370384.db2.gz PSPPDFSVWWQKSZ-MFWIUYSUSA-N 2 0 350.478 3.422 20 0 FGADRP COCC1(C[NH2+][C@H](Cc2ccccc2Cl)[C@H]2CCCO2)CC[NH2+]CC1 ZINC000423413156 500372440 /nfs/dbraw/zinc/37/24/40/500372440.db2.gz YLHUUZCSOOSOAG-RTBURBONSA-N 2 0 366.933 3.036 20 0 FGADRP C[N@H+](CCNC(=O)C(C)(C)[C@@H]([NH3+])c1ccccc1)Cc1ccc(F)cc1 ZINC000423436615 500374915 /nfs/dbraw/zinc/37/49/15/500374915.db2.gz PXSGGOFUUWFDIL-IBGZPJMESA-N 2 0 357.473 3.100 20 0 FGADRP CC(C)COc1ccc([C@H](C)[NH2+][C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)cc1 ZINC000423456489 500375947 /nfs/dbraw/zinc/37/59/47/500375947.db2.gz NTGREVILARUGAH-AQKFKSFVSA-N 2 0 373.541 3.019 20 0 FGADRP CCC[C@H]([NH2+][C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)c1ccc(Cl)cc1 ZINC000423456438 500376169 /nfs/dbraw/zinc/37/61/69/500376169.db2.gz NPXTWXBWSLISAG-NSHGMRRFSA-N 2 0 363.933 3.418 20 0 FGADRP C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)C[C@@H]3CCC[NH2+]CC3)cc2)C1 ZINC000427277638 500376957 /nfs/dbraw/zinc/37/69/57/500376957.db2.gz YNXHYJFCEGMIJQ-RBUKOAKNSA-N 2 0 357.542 3.315 20 0 FGADRP C[C@@H](Cc1ccccc1C(F)(F)F)[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000423506923 500379955 /nfs/dbraw/zinc/37/99/55/500379955.db2.gz JAWKRWDGAYNUOD-ZLPCBKJTSA-N 2 0 369.475 3.442 20 0 FGADRP CC1CC[NH+]([C@@H](CNC(=O)C[C@@H]2CCC[NH2+]CC2)c2cccs2)CC1 ZINC000427311419 500380174 /nfs/dbraw/zinc/38/01/74/500380174.db2.gz AVZCEMYZAMYJKX-MSOLQXFVSA-N 2 0 363.571 3.417 20 0 FGADRP CC(C)[C@@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)c1ccc(F)c(F)c1 ZINC000423525875 500382403 /nfs/dbraw/zinc/38/24/03/500382403.db2.gz YSXPPDQSGNAHPY-LBXVMSDZSA-N 2 0 351.485 3.468 20 0 FGADRP C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000423554545 500384752 /nfs/dbraw/zinc/38/47/52/500384752.db2.gz WTSPWNHMDGHUFE-MXSMSXNCSA-N 2 0 363.933 3.055 20 0 FGADRP C[N@@H+]1CC[C@@H](NC(=O)Nc2ccc3c(c2F)CC[NH2+]C3)[C@@H]1c1ccccc1 ZINC000570546045 506192564 /nfs/dbraw/zinc/19/25/64/506192564.db2.gz VILJNXOFARXORG-QUCCMNQESA-N 2 0 368.456 3.038 20 0 FGADRP [NH3+][C@H]1CCCC[C@@H]1CC(=O)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000423742597 500398232 /nfs/dbraw/zinc/39/82/32/500398232.db2.gz JCEYSQQUKRKNPB-RTWAWAEBSA-N 2 0 357.542 3.061 20 0 FGADRP CC[C@@H]1CN(C(=O)C[C@H]([NH3+])c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000423826032 500406545 /nfs/dbraw/zinc/40/65/45/500406545.db2.gz OBIUGWOBPQVWRP-RTWAWAEBSA-N 2 0 351.494 3.200 20 0 FGADRP CC(C)(C)c1ccc2c(c1)CN(C(=O)CCC[NH+]1CCC([NH3+])CC1)CC2 ZINC000423843294 500410812 /nfs/dbraw/zinc/41/08/12/500410812.db2.gz MLWGZTHCTPXSPI-UHFFFAOYSA-N 2 0 357.542 3.072 20 0 FGADRP CCc1ccccc1[C@@H]([NH3+])CNC(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000423943147 500422064 /nfs/dbraw/zinc/42/20/64/500422064.db2.gz QOFAFIQNHNHHMS-NRFANRHFSA-N 2 0 351.494 3.275 20 0 FGADRP C[N@H+](CC[C@H]1CC[NH2+]C1)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000420295832 500435709 /nfs/dbraw/zinc/43/57/09/500435709.db2.gz AXPQIQOHUPDNRF-LLVKDONJSA-N 2 0 363.811 3.229 20 0 FGADRP [NH3+]C[C@H]1CCCCN1CCC(=O)N[C@H](c1cccs1)c1ccccc1 ZINC000420300653 500436684 /nfs/dbraw/zinc/43/66/84/500436684.db2.gz VBWHJEOBZBMCJX-XLIONFOSSA-N 2 0 357.523 3.157 20 0 FGADRP Brc1ccc(C2([NH2+]CC[C@@H]3CCC[NH2+]C3)CCOCC2)cc1 ZINC000420303016 500437211 /nfs/dbraw/zinc/43/72/11/500437211.db2.gz MXRAUUFOUGTNTJ-HNNXBMFYSA-N 2 0 367.331 3.434 20 0 FGADRP COc1ccc([C@H](C[NH3+])C[NH+]2CCC(N(C)c3ccccc3)CC2)cc1 ZINC000420317698 500440684 /nfs/dbraw/zinc/44/06/84/500440684.db2.gz NDFZTPZIBLIACC-LJQANCHMSA-N 2 0 353.510 3.338 20 0 FGADRP c1ccc(COc2cncc(C[N@@H+]3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)c2)cc1 ZINC000420320255 500440841 /nfs/dbraw/zinc/44/08/41/500440841.db2.gz BCKQOAJZEKOTFM-LEWJYISDSA-N 2 0 351.494 3.482 20 0 FGADRP CCOC(=O)c1oc2ccccc2c1C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000420321482 500441117 /nfs/dbraw/zinc/44/11/17/500441117.db2.gz VHYXTAZJWRPBHL-MRXNPFEDSA-N 2 0 356.466 3.431 20 0 FGADRP CC[C@@H](NC(=O)C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1)c1ccc(Cl)cc1 ZINC000420330640 500442686 /nfs/dbraw/zinc/44/26/86/500442686.db2.gz BAQGCZZUDKBMCU-RTBURBONSA-N 2 0 363.933 3.371 20 0 FGADRP Fc1ccc(-n2nc(C[NH+]3CCC([C@H]4CCC[NH2+]4)CC3)c3c2CCC3)cc1 ZINC000420336229 500443768 /nfs/dbraw/zinc/44/37/68/500443768.db2.gz LXBMFZSEIJJKRA-HXUWFJFHSA-N 2 0 368.500 3.464 20 0 FGADRP C[C@H](c1nc(Cc2ccc(Cl)cc2)no1)[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420341000 500444938 /nfs/dbraw/zinc/44/49/38/500444938.db2.gz POYXIWKNKBJUAG-BMFZPTHFSA-N 2 0 360.889 3.306 20 0 FGADRP C[C@H](NC(=O)C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1)c1ccc2ccccc2c1 ZINC000420340160 500445047 /nfs/dbraw/zinc/44/50/47/500445047.db2.gz MSPQKGBWOAEGIP-HTAPYJJXSA-N 2 0 365.521 3.481 20 0 FGADRP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[NH2+][C@@H](Cc1ccccc1)c1ccccc1 ZINC000420365033 500448698 /nfs/dbraw/zinc/44/86/98/500448698.db2.gz DLIRVQJHIFQDJS-HJOGWXRNSA-N 2 0 360.501 3.491 20 0 FGADRP CC1(C)C[NH2+]CC[C@H]1[NH2+]CCOc1ccc(Cl)cc1Br ZINC000420372887 500450131 /nfs/dbraw/zinc/45/01/31/500450131.db2.gz YKIZMJRFXIQNBQ-CQSZACIVSA-N 2 0 361.711 3.459 20 0 FGADRP Cc1c(Br)cccc1C[NH+]1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000420374647 500450218 /nfs/dbraw/zinc/45/02/18/500450218.db2.gz HSVQUFXHRPFYDE-MSOLQXFVSA-N 2 0 367.331 3.476 20 0 FGADRP [NH3+]Cc1cn([C@H]2CCC[N@H+](CCCSc3ccccc3Cl)C2)nn1 ZINC000420388112 500453650 /nfs/dbraw/zinc/45/36/50/500453650.db2.gz WQJZCZQONIMRPT-HNNXBMFYSA-N 2 0 365.934 3.210 20 0 FGADRP [NH3+][C@H]1CCO[C@H](C2CC[NH+](Cc3ncc(-c4cccc(F)c4)o3)CC2)C1 ZINC000420395344 500454900 /nfs/dbraw/zinc/45/49/00/500454900.db2.gz UBFIDLDVZZJAPT-ROUUACIJSA-N 2 0 359.445 3.199 20 0 FGADRP O=C(CC[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1)Nc1ccc(Cl)cc1F ZINC000420408238 500457042 /nfs/dbraw/zinc/45/70/42/500457042.db2.gz VWUJFIRJYDZWIE-SUMWQHHRSA-N 2 0 353.869 3.272 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccc2c(c1)CCC=C2 ZINC000576604195 506197051 /nfs/dbraw/zinc/19/70/51/506197051.db2.gz NTSUPCFDFQXMLJ-OAQYLSRUSA-N 2 0 355.526 3.134 20 0 FGADRP C[C@@H]1CC2(C[N@@H+]1Cc1nn(-c3ccc(F)cc3)c3c1CCC3)CC[NH2+]CC2 ZINC000424285991 500481966 /nfs/dbraw/zinc/48/19/66/500481966.db2.gz GPHOZNHVLJOXDE-MRXNPFEDSA-N 2 0 368.500 3.464 20 0 FGADRP CN(C)CC[NH+]1CCC(C[NH2+]Cc2ccc(F)c(Cl)c2Cl)CC1 ZINC000432249556 500489144 /nfs/dbraw/zinc/48/91/44/500489144.db2.gz FXGCWPOVOXXUBD-UHFFFAOYSA-N 2 0 362.320 3.496 20 0 FGADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)NC1CCC([NH+](C)C)CC1 ZINC000420774172 500497316 /nfs/dbraw/zinc/49/73/16/500497316.db2.gz BZWFLEYLTMUIIT-UHFFFAOYSA-N 2 0 360.546 3.199 20 0 FGADRP C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)N(C)C[C@@H]3CCC[NH+]3C)cc2)C1 ZINC000420782088 500500112 /nfs/dbraw/zinc/50/01/12/500500112.db2.gz QHTWQNCPNPUCSR-NQIIRXRSSA-N 2 0 372.557 3.154 20 0 FGADRP CC[NH+](CC)Cc1cccc(CNC(=O)NC2CCC([NH+](C)C)CC2)c1 ZINC000420789659 500501542 /nfs/dbraw/zinc/50/15/42/500501542.db2.gz DXPUXCUKXKAMJF-UHFFFAOYSA-N 2 0 360.546 3.200 20 0 FGADRP CC[NH+]1CCN(c2ccccc2C[N@@H+]2CCC[C@H](OCC3CC3)C2)CC1 ZINC000428383257 500503225 /nfs/dbraw/zinc/50/32/25/500503225.db2.gz UWNQAZUHBNTGSN-NRFANRHFSA-N 2 0 357.542 3.220 20 0 FGADRP Cc1cc(C[NH3+])cc(NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000424430912 500503969 /nfs/dbraw/zinc/50/39/69/500503969.db2.gz DVPAFHYBGNTXHB-LAUBAEHRSA-N 2 0 366.509 3.486 20 0 FGADRP Cc1cc(C[NH3+])cc(NC(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000424433130 500504730 /nfs/dbraw/zinc/50/47/30/500504730.db2.gz IDPBTXSDCMNAES-HXUWFJFHSA-N 2 0 352.482 3.192 20 0 FGADRP Cc1cc(C[NH3+])cc(NC(=O)N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000424435635 500505097 /nfs/dbraw/zinc/50/50/97/500505097.db2.gz LJDAVNMSDTVZCU-LJQANCHMSA-N 2 0 366.509 3.440 20 0 FGADRP C[C@@H]1CCC[C@@H]([NH+]2CCC(NCCC[N@@H+]3CCCO[C@@H](C)C3)CC2)C1 ZINC000432416956 500513565 /nfs/dbraw/zinc/51/35/65/500513565.db2.gz JSCHGIHDGOUFJB-SVFBPWRDSA-N 2 0 351.579 3.120 20 0 FGADRP C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)NC1CCC([NH+](C)C)CC1 ZINC000420893464 500524090 /nfs/dbraw/zinc/52/40/90/500524090.db2.gz FBYZMWVRNLZWAP-PELRDEGISA-N 2 0 372.557 3.165 20 0 FGADRP C[C@@H]([NH2+]C[C@@H](O)Cn1c2ccccc2c2ccccc21)C1=CC[N@H+](C)CC1 ZINC000576631492 506202754 /nfs/dbraw/zinc/20/27/54/506202754.db2.gz OFSWESOYJSSXRJ-IEBWSBKVSA-N 2 0 363.505 3.395 20 0 FGADRP CN(C(=O)NC1CCC(C[NH+](C)C)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000442244138 500575344 /nfs/dbraw/zinc/57/53/44/500575344.db2.gz SKQWENJRHRPFQO-XVAXZDLZSA-N 2 0 372.557 3.023 20 0 FGADRP OCC1(C[NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)CC2(CCC2)C1 ZINC000433057152 500615366 /nfs/dbraw/zinc/61/53/66/500615366.db2.gz GEBXHJNSBSQFAS-NJDAHSKKSA-N 2 0 354.538 3.429 20 0 FGADRP C[C@@H]([NH2+]CC1CC[NH+](C2CC2)CC1)c1ccc(-n2cncn2)cc1Cl ZINC000447560303 500625234 /nfs/dbraw/zinc/62/52/34/500625234.db2.gz WHZPWOACUYQLSX-CQSZACIVSA-N 2 0 359.905 3.446 20 0 FGADRP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1CCC(=O)N[C@H](c1cccs1)c1ccccc1 ZINC000442783608 500625528 /nfs/dbraw/zinc/62/55/28/500625528.db2.gz QFOSKTVCFZUPQG-QINHECLXSA-N 2 0 357.523 3.013 20 0 FGADRP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+][C@H]2CCOC4(CCOCC4)C2)C3)cc1 ZINC000447589072 500629902 /nfs/dbraw/zinc/62/99/02/500629902.db2.gz WWEWCFQJZGAWSL-KJJMTIBFSA-N 2 0 370.537 3.500 20 0 FGADRP Cc1ccc(Oc2ccc(NC(=O)CCC[NH+]3CCC([NH3+])CC3)cn2)cc1 ZINC000433165286 500637352 /nfs/dbraw/zinc/63/73/52/500637352.db2.gz BPQGYBSOYXKSHH-UHFFFAOYSA-N 2 0 368.481 3.324 20 0 FGADRP C[C@@]1(CCc2ccccc2)CCN(C(=O)CCC[NH+]2CCC([NH3+])CC2)C1 ZINC000433165272 500637731 /nfs/dbraw/zinc/63/77/31/500637731.db2.gz HRXOBSJOGOLMPU-JOCHJYFZSA-N 2 0 357.542 3.061 20 0 FGADRP C[C@@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433170191 500638349 /nfs/dbraw/zinc/63/83/49/500638349.db2.gz UXTOFTGQPYXAEZ-AWEZNQCLSA-N 2 0 371.447 3.428 20 0 FGADRP [NH3+]CC[C@@H]1CCC[N@H+](Cc2cnn(-c3ccc(Br)cc3)c2)C1 ZINC000442920385 500647760 /nfs/dbraw/zinc/64/77/60/500647760.db2.gz LFHGFDDGQUJHFY-AWEZNQCLSA-N 2 0 363.303 3.196 20 0 FGADRP C[C@@H]1CCN(C(=O)CN(C)Cc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000437480002 500649151 /nfs/dbraw/zinc/64/91/51/500649151.db2.gz FFTPCFCJPAHFNH-HXUWFJFHSA-N 2 0 365.521 3.241 20 0 FGADRP CN(C(=O)C[N@@H+]1CCC[C@H](CC[NH3+])C1)C(c1ccccc1)c1ccccc1 ZINC000443064487 500672192 /nfs/dbraw/zinc/67/21/92/500672192.db2.gz YIOFJUNTZBKWHS-LJQANCHMSA-N 2 0 365.521 3.295 20 0 FGADRP c1cc(-c2ccc(C[NH2+]Cc3ccc(OCC[NH+]4CCCC4)cc3)o2)n[nH]1 ZINC000433332168 500674553 /nfs/dbraw/zinc/67/45/53/500674553.db2.gz SMFCDFXYVYIGFS-UHFFFAOYSA-N 2 0 366.465 3.434 20 0 FGADRP O=C(NCc1ccn2ccnc2c1)[C@@]12CCC[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000443077934 500676249 /nfs/dbraw/zinc/67/62/49/500676249.db2.gz VJKYDPSVCWCNGY-NFBKMPQASA-N 2 0 374.488 3.253 20 0 FGADRP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)NC[C@@H]2CCC[NH+]2C2CCCCC2)C1 ZINC000437776803 500693607 /nfs/dbraw/zinc/69/36/07/500693607.db2.gz PXYYIDPNUWQEAU-ICSRJNTNSA-N 2 0 364.578 3.061 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)NC[C@H]1[NH+](C)CCCC1(C)C ZINC000447982215 500701049 /nfs/dbraw/zinc/70/10/49/500701049.db2.gz JJWBSPPPHYOIHF-QZTJIDSGSA-N 2 0 352.567 3.061 20 0 FGADRP CC(C)[N@@H+]1CC[C@H](CNC(=O)NCC2([NH+](C)Cc3ccccc3)CCC2)C1 ZINC000570656002 506210726 /nfs/dbraw/zinc/21/07/26/506210726.db2.gz WSOZQEQEVIWAMJ-HXUWFJFHSA-N 2 0 372.557 3.071 20 0 FGADRP CCCC[N@H+](C)CC1CCN(C(=O)NC[C@@H]2[NH+](C)CCCC2(C)C)CC1 ZINC000448247281 500738312 /nfs/dbraw/zinc/73/83/12/500738312.db2.gz DISVRRYXAXOCQM-IBGZPJMESA-N 2 0 366.594 3.260 20 0 FGADRP C[C@H](CC(=O)NCC[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)C1CC[NH2+]CC1 ZINC000570716193 506215054 /nfs/dbraw/zinc/21/50/54/506215054.db2.gz BYMBNKVNYRBKNF-SBHAEUEKSA-N 2 0 371.569 3.429 20 0 FGADRP O=C(NC[C@@H]1CCC[N@@H+]1C1CCCCC1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000438344371 500773594 /nfs/dbraw/zinc/77/35/94/500773594.db2.gz GZYQDZGMEULNLB-PMACEKPBSA-N 2 0 362.562 3.053 20 0 FGADRP O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000438571824 500802809 /nfs/dbraw/zinc/80/28/09/500802809.db2.gz BFKPROQUCDEGNR-NHCUHLMSSA-N 2 0 355.526 3.347 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@H]1CCCc2sccc21 ZINC000434189673 500809013 /nfs/dbraw/zinc/80/90/13/500809013.db2.gz OFSMSPGCJFIHLZ-AEFFLSMTSA-N 2 0 363.571 3.043 20 0 FGADRP Cc1ccc2[nH]c3c(c2c1)CCC[C@@H]3[NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000438834246 500824428 /nfs/dbraw/zinc/82/44/28/500824428.db2.gz ZUUKNWOIFGKSEV-JXFKEZNVSA-N 2 0 368.525 3.031 20 0 FGADRP CCO[C@@H]1C[C@](CO)([NH2+][C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)C1(C)C ZINC000438829992 500824678 /nfs/dbraw/zinc/82/46/78/500824678.db2.gz SWJBPNSIPRXERV-UGGKCQTMSA-N 2 0 360.542 3.053 20 0 FGADRP C[C@H]([C@H](C)[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1)N1CCOCC1 ZINC000438839808 500825179 /nfs/dbraw/zinc/82/51/79/500825179.db2.gz VXAFBPDZNFRJCO-LAXGTINGSA-N 2 0 359.558 3.128 20 0 FGADRP O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000434355649 500830903 /nfs/dbraw/zinc/83/09/03/500830903.db2.gz PBVBIUUGEYXIMQ-RTBURBONSA-N 2 0 374.529 3.123 20 0 FGADRP CCc1ccccc1CC[NH+]1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000444649493 500873612 /nfs/dbraw/zinc/87/36/12/500873612.db2.gz KFXSDFGXQOQKHE-UHFFFAOYSA-N 2 0 373.585 3.208 20 0 FGADRP C[C@@H](C(=O)N[C@H](C[NH3+])c1ccc2ccccc2c1)[N@H+](C)Cc1ccccc1 ZINC000434696762 500880695 /nfs/dbraw/zinc/88/06/95/500880695.db2.gz HUAHRPNUTVFEOT-HTAPYJJXSA-N 2 0 361.489 3.476 20 0 FGADRP Cc1cc(C(F)(F)F)ccc1C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000448968696 500883115 /nfs/dbraw/zinc/88/31/15/500883115.db2.gz GYBQKYPQJLNXAK-UHFFFAOYSA-N 2 0 373.463 3.359 20 0 FGADRP CCN1CCC[C@@H](C[N@H+](C)CCOc2ccccc2)[C@@H]1c1cnn(C)c1 ZINC000434728553 500884108 /nfs/dbraw/zinc/88/41/08/500884108.db2.gz SJMLAKYYIYVVPH-GHTZIAJQSA-N 2 0 356.514 3.204 20 0 FGADRP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@@H](c3ccccc3)C[C@@H]2C)CC1 ZINC000439327891 500885411 /nfs/dbraw/zinc/88/54/11/500885411.db2.gz LFHNWYOIRAPONQ-AZUAARDMSA-N 2 0 357.542 3.244 20 0 FGADRP C[NH+](C)CCOC1CC[NH+](Cc2cnc(-c3ccccc3F)s2)CC1 ZINC000449024571 500900757 /nfs/dbraw/zinc/90/07/57/500900757.db2.gz BXHQSBGYTBTTNW-UHFFFAOYSA-N 2 0 363.502 3.492 20 0 FGADRP C[C@H](C[NH+]1CCC(CCC[NH+](C)C)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000449024896 500902125 /nfs/dbraw/zinc/90/21/25/500902125.db2.gz ACOBRTJXWQDGKI-QGZVFWFLSA-N 2 0 366.571 3.247 20 0 FGADRP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(I)cc2)C1 ZINC000449091488 500922806 /nfs/dbraw/zinc/92/28/06/500922806.db2.gz JTHVRWHGOHMOAK-CQSZACIVSA-N 2 0 358.267 3.113 20 0 FGADRP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]C[C@@H](O)Cc2ccccc2)CC1 ZINC000449125346 500930727 /nfs/dbraw/zinc/93/07/27/500930727.db2.gz JCDAJGFBZGILMM-CVDCTZTESA-N 2 0 352.522 3.275 20 0 FGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]Cc2cc3ccccc3cc2OC)CC1 ZINC000449132969 500931840 /nfs/dbraw/zinc/93/18/40/500931840.db2.gz WOVYHXVDZHKPJX-SFHVURJKSA-N 2 0 355.526 3.212 20 0 FGADRP CCn1nnc(C)c1C[NH2+]Cc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000449159775 500937475 /nfs/dbraw/zinc/93/74/75/500937475.db2.gz IQLWCLPTIXMLNX-UHFFFAOYSA-N 2 0 353.470 3.121 20 0 FGADRP CSCC1CCC([NH2+]CC2CC[NH+](CC(=O)NC(C)(C)C)CC2)CC1 ZINC000449175530 500941178 /nfs/dbraw/zinc/94/11/78/500941178.db2.gz KGZZMLDRVATUBH-UHFFFAOYSA-N 2 0 369.619 3.125 20 0 FGADRP COc1ccc(-n2cc(C[NH2+]Cc3ccc(C[NH+](C)C)c(F)c3)cn2)cc1 ZINC000449204219 500947489 /nfs/dbraw/zinc/94/74/89/500947489.db2.gz LTSNEVMEAQZLRY-UHFFFAOYSA-N 2 0 368.456 3.371 20 0 FGADRP CCC1(C[NH2+]Cc2nccnc2OC)CC[NH+](Cc2ccccc2)CC1 ZINC000449206661 500947931 /nfs/dbraw/zinc/94/79/31/500947931.db2.gz AVXQLBIDUJIDRB-UHFFFAOYSA-N 2 0 354.498 3.267 20 0 FGADRP COc1ccc(-n2cc(C[NH2+]Cc3cccc(C[NH+](C)C)c3)cn2)cc1 ZINC000449218479 500950612 /nfs/dbraw/zinc/95/06/12/500950612.db2.gz IQZHWIKVZCYNOT-UHFFFAOYSA-N 2 0 350.466 3.232 20 0 FGADRP COc1cccc2c(C[NH2+]Cc3ccnc(OCC[NH+](C)C)c3)cccc12 ZINC000449220845 500951331 /nfs/dbraw/zinc/95/13/31/500951331.db2.gz IRFYGBVRYAZZFW-UHFFFAOYSA-N 2 0 365.477 3.474 20 0 FGADRP COCCO[C@H]1COCC[C@H]1[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449255819 500958732 /nfs/dbraw/zinc/95/87/32/500958732.db2.gz GKWUPKCDFCHPTF-MOPGFXCFSA-N 2 0 370.578 3.076 20 0 FGADRP C[C@H]([NH3+])C1CC[NH+](Cc2cn(-c3ccccc3)nc2-c2ccncc2)CC1 ZINC000435373016 500961606 /nfs/dbraw/zinc/96/16/06/500961606.db2.gz CSFRNWVYDXNBMX-KRWDZBQOSA-N 2 0 361.493 3.494 20 0 FGADRP COc1ccc(C(=O)Nc2cccc(C[N@@H+]3C[C@@H]4CC[C@@H]([NH3+])[C@@H]4C3)c2)cc1 ZINC000435379801 500963431 /nfs/dbraw/zinc/96/34/31/500963431.db2.gz NNTYZXGIDJXNMW-IOMROCGXSA-N 2 0 365.477 3.117 20 0 FGADRP CC[NH2+]CC1CC[NH+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)CC1 ZINC000435380451 500963638 /nfs/dbraw/zinc/96/36/38/500963638.db2.gz RLTMMQXEWSVAPN-UHFFFAOYSA-N 3 0 358.574 3.039 20 0 FGADRP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3cn(-c4ccccc4)nc3-c3cccnc3)C[C@H]12 ZINC000435387662 500965738 /nfs/dbraw/zinc/96/57/38/500965738.db2.gz AYEUMGCDEYNJDG-DZFGPLHGSA-N 2 0 359.477 3.103 20 0 FGADRP c1cn(-c2ccc(CN(Cc3ccccn3)[C@H]3CCC[NH2+]CC3)cc2)cn1 ZINC000435392762 500966666 /nfs/dbraw/zinc/96/66/66/500966666.db2.gz XMZSROWRICKTPL-NRFANRHFSA-N 2 0 361.493 3.412 20 0 FGADRP C[N@H+](Cc1cc(Br)c2c(c1)OCCCO2)[C@H]1CCC[NH2+]CC1 ZINC000435447734 500979412 /nfs/dbraw/zinc/97/94/12/500979412.db2.gz QXFVIEIRGZRMKL-AWEZNQCLSA-N 2 0 369.303 3.184 20 0 FGADRP CC(C)C1CCC([NH+]2CCN(C(=O)N[C@H]3CC[N@H+](C)[C@H](C)C3)CC2)CC1 ZINC000440197898 500986368 /nfs/dbraw/zinc/98/63/68/500986368.db2.gz WVKGLCVVNPEBAF-SOAISFHBSA-N 2 0 364.578 3.011 20 0 FGADRP CC(C)(C)CC(C)(C)[NH+]1CCC(NC[C@H]2CCC[N@@H+]2CCCO)CC1 ZINC000449387944 500991562 /nfs/dbraw/zinc/99/15/62/500991562.db2.gz NPLBMMGLBSBECR-LJQANCHMSA-N 2 0 353.595 3.102 20 0 FGADRP COc1ccc(CC[N@H+](Cc2nccs2)[C@H]2CC23CC[NH2+]CC3)cc1 ZINC000435690616 501012447 /nfs/dbraw/zinc/01/24/47/501012447.db2.gz BKUZFGDRLGVYRR-SFHVURJKSA-N 2 0 357.523 3.339 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cccc(F)c1SC ZINC000435697093 501014121 /nfs/dbraw/zinc/01/41/21/501014121.db2.gz MKBMDCNBNVQCFQ-HNNXBMFYSA-N 2 0 367.534 3.036 20 0 FGADRP CN(c1ccccc1)c1ccc(C[NH2+]CCCC[NH+]2CCOCC2)cn1 ZINC000435787019 501028632 /nfs/dbraw/zinc/02/86/32/501028632.db2.gz XJQSISGXTHJMED-UHFFFAOYSA-N 2 0 354.498 3.052 20 0 FGADRP CN(c1ccccc1C[N@@H+]1CC[C@@H]2C[C@H](O)CC[C@@H]2C1)C1CC[NH+](C)CC1 ZINC000449557567 501032985 /nfs/dbraw/zinc/03/29/85/501032985.db2.gz UZNZMRBFURXMHP-WOIUINJBSA-N 2 0 371.569 3.200 20 0 FGADRP C[C@H]1CN(Cc2ccccc2)C[C@H]1[NH2+][C@@H]1CCO[C@@H](c2ccccn2)C1 ZINC000449613908 501043770 /nfs/dbraw/zinc/04/37/70/501043770.db2.gz DQFPTMGALDMOSD-RGMHLJPOSA-N 2 0 351.494 3.412 20 0 FGADRP C[C@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+][C@@H]1CCO[C@@H](c2ccccn2)C1 ZINC000449613907 501044030 /nfs/dbraw/zinc/04/40/30/501044030.db2.gz DQFPTMGALDMOSD-OZROYSPXSA-N 2 0 351.494 3.412 20 0 FGADRP CC1CC[NH+](Cc2cccc(CNC(=O)NCC3([NH+](C)C)CCC3)c2)CC1 ZINC000445877811 501045036 /nfs/dbraw/zinc/04/50/36/501045036.db2.gz PQHDXILDIXFJMZ-UHFFFAOYSA-N 2 0 372.557 3.202 20 0 FGADRP CCC[N@H+](CC)CCNC(=O)N[C@@H](Cn1ccnc1)c1ccc(C)cc1C ZINC000440883010 501060010 /nfs/dbraw/zinc/06/00/10/501060010.db2.gz XNMIELJFWAXEFU-FQEVSTJZSA-N 2 0 371.529 3.272 20 0 FGADRP CC[NH+]1CCN(CC(C)(C)[NH2+]C/C(C)=C\c2ccccc2COC)CC1 ZINC000449744264 501072921 /nfs/dbraw/zinc/07/29/21/501072921.db2.gz FYBXOVHCHSOQDJ-CYVLTUHYSA-N 2 0 359.558 3.242 20 0 FGADRP CC1(C)CCc2ccccc2[C@H]([NH2+]CCC[N@@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC000436282577 501101835 /nfs/dbraw/zinc/10/18/35/501101835.db2.gz HKYJQGNAFBRNOE-AZUAARDMSA-N 2 0 357.542 3.267 20 0 FGADRP c1cncc(C[NH+]2CCC(NC[C@H]3CCC[N@@H+]3C3CCCCC3)CC2)c1 ZINC000436288093 501102581 /nfs/dbraw/zinc/10/25/81/501102581.db2.gz UVRNHYBKBGZGIX-JOCHJYFZSA-N 2 0 356.558 3.433 20 0 FGADRP C[C@H]1C[C@@H](NC(=O)NCC2([NH+]3CCCCC3)CCCCC2)C[N@@H+]1C1CC1 ZINC000441287929 501114557 /nfs/dbraw/zinc/11/45/57/501114557.db2.gz RYQJEZQMTFEEND-ZWKOTPCHSA-N 2 0 362.562 3.100 20 0 FGADRP CC(C)c1nn(-c2ccccc2)cc1C[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000441345523 501124264 /nfs/dbraw/zinc/12/42/64/501124264.db2.gz HDDTWTJKSAEJRU-UHFFFAOYSA-N 2 0 369.557 3.111 20 0 FGADRP C[N@@H+]1CCN(CC[NH2+]Cc2ccc(-c3cccc(F)c3F)o2)CC1(C)C ZINC000441387613 501131679 /nfs/dbraw/zinc/13/16/79/501131679.db2.gz QKOMEUNPYKYHJX-UHFFFAOYSA-N 2 0 363.452 3.340 20 0 FGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]Cc2cccc(N)c2)CC1 ZINC000436487040 501137215 /nfs/dbraw/zinc/13/72/15/501137215.db2.gz OSZRYTCQTYGMBO-MRXNPFEDSA-N 2 0 356.489 3.401 20 0 FGADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]C[C@H](C(=O)OC(C)(C)C)C1CCC1 ZINC000596063972 506236439 /nfs/dbraw/zinc/23/64/39/506236439.db2.gz QCFOLTBEVQNHBM-IBGZPJMESA-N 2 0 370.497 3.423 20 0 FGADRP COc1ccc([C@H](CCn2cncn2)[NH2+]C[C@H]2CCC[N@@H+](C(C)C)C2)cc1 ZINC000446840434 501171840 /nfs/dbraw/zinc/17/18/40/501171840.db2.gz YYRHHMWQJJAKCS-NQIIRXRSSA-N 2 0 371.529 3.128 20 0 FGADRP C[C@@]1(O)CCC[NH+](Cc2cc(Cl)cc(C[N@H+]3CCC[C@@](C)(O)C3)c2)C1 ZINC000450646910 501175499 /nfs/dbraw/zinc/17/54/99/501175499.db2.gz AMABJBQYIYCKST-WOJBJXKFSA-N 2 0 366.933 3.034 20 0 FGADRP Cc1cc(N2CCC[C@H]([NH2+]C3CC[NH+]([C@H]4CCCC[C@H]4C)CC3)C2)n(C)n1 ZINC000446920535 501181600 /nfs/dbraw/zinc/18/16/00/501181600.db2.gz MNLKJOCNZGPDGR-QMMLZNLJSA-N 2 0 373.589 3.330 20 0 FGADRP COC[C@]1(C)CC[N@H+](Cc2cccc(C[NH+]3CC[C@](C)(COC)C3)c2)C1 ZINC000451201475 501251527 /nfs/dbraw/zinc/25/15/27/501251527.db2.gz KEMHKKDTBFVUKY-SZPZYZBQSA-N 2 0 360.542 3.403 20 0 FGADRP CC[C@@H]([NH2+]CCCN1CC[NH+](Cc2ccccc2)CC1)c1ccncc1 ZINC000453090486 501266932 /nfs/dbraw/zinc/26/69/32/501266932.db2.gz RJSLSBQHCWALQI-JOCHJYFZSA-N 2 0 352.526 3.330 20 0 FGADRP CC(C)[C@H](C[NH2+][C@H](C)c1cc(-c2ccccc2)nn1C)N1CC[NH+](C)CC1 ZINC000453097832 501268206 /nfs/dbraw/zinc/26/82/06/501268206.db2.gz WKBCKHSQLXRNGJ-GCJKJVERSA-N 2 0 369.557 3.010 20 0 FGADRP CCC(CC)[C@H](CNC(=O)N1CC[C@]2(C1)CCC[N@H+](C)C2)[NH+]1CCCC1 ZINC000457621547 501269908 /nfs/dbraw/zinc/26/99/08/501269908.db2.gz QCQUSXXRMHUBTG-PZJWPPBQSA-N 2 0 364.578 3.014 20 0 FGADRP CC[C@@H](C)[NH+]1CCN(C(=O)NC2CC[NH+](Cc3ccccc3C)CC2)CC1 ZINC000457645890 501275948 /nfs/dbraw/zinc/27/59/48/501275948.db2.gz ZEOMLUIJVFCHJN-LJQANCHMSA-N 2 0 372.557 3.085 20 0 FGADRP CC[NH+](CC)Cc1cccc(CNC(=O)NC(C)(C)C[NH+]2CCCC2)c1 ZINC000457676442 501284690 /nfs/dbraw/zinc/28/46/90/501284690.db2.gz SDVYUFKXDUWFBZ-UHFFFAOYSA-N 2 0 360.546 3.202 20 0 FGADRP C[C@@H]([NH2+]CC1=CC[N@H+](C)CC1)c1ccc(F)c(I)c1 ZINC000453181000 501286446 /nfs/dbraw/zinc/28/64/46/501286446.db2.gz QXOYHOZOKXDEMK-LLVKDONJSA-N 2 0 374.241 3.343 20 0 FGADRP CC(C)C(=O)NCCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000453183496 501287074 /nfs/dbraw/zinc/28/70/74/501287074.db2.gz SKZFFESDHXTDFU-PWRODBHTSA-N 2 0 357.542 3.182 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)N(C)[C@H]1CC[N@@H+](C(C)C)C1)c1ccsc1 ZINC000457695583 501289076 /nfs/dbraw/zinc/28/90/76/501289076.db2.gz VDMGPXCVKIVVLN-ROUUACIJSA-N 2 0 366.575 3.255 20 0 FGADRP CCn1cccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)c1=O ZINC000453208531 501291823 /nfs/dbraw/zinc/29/18/23/501291823.db2.gz BYLUZACOOSBVIP-BHDDXSALSA-N 2 0 365.521 3.401 20 0 FGADRP C[C@@H](CNC(=O)N(CC[NH+](C)C)Cc1ccsc1)[N@@H+]1CCCC[C@@H]1C ZINC000457705953 501291849 /nfs/dbraw/zinc/29/18/49/501291849.db2.gz LNQGSCNFKDQEON-IRXDYDNUSA-N 2 0 366.575 3.084 20 0 FGADRP C[NH+](C)[C@@H]1CCOc2c(NC(=O)C3C[NH+](C4CCCCC4)C3)cccc21 ZINC000457764901 501304311 /nfs/dbraw/zinc/30/43/11/501304311.db2.gz MJNFIPFDYUULGI-LJQANCHMSA-N 2 0 357.498 3.275 20 0 FGADRP CO[C@@H]1CC[N@H+](Cc2ccc(C[NH+]3CC[C@H](OC)[C@@H](C)C3)cc2)C[C@@H]1C ZINC000451574686 501328779 /nfs/dbraw/zinc/32/87/79/501328779.db2.gz RUXGPSBUOFHTJR-YHDSQAASSA-N 2 0 360.542 3.400 20 0 FGADRP C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)COC(c2ccccc2)c2ccccc2)CC[N@@H+]1C ZINC000582482282 506247888 /nfs/dbraw/zinc/24/78/88/506247888.db2.gz YXHDESLHEXQSRM-BVYCBKJFSA-N 2 0 368.521 3.226 20 0 FGADRP CC1(C)C[C@@H](O)CC[NH+](CCCCC[N@H+]2CC[C@H](O)CC(C)(C)C2)C1 ZINC000451816918 501378743 /nfs/dbraw/zinc/37/87/43/501378743.db2.gz YNYIRGGGUUWKMF-OALUTQOASA-N 2 0 354.579 3.123 20 0 FGADRP CCCc1nc2ccccc2n1CCC(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000458174704 501384940 /nfs/dbraw/zinc/38/49/40/501384940.db2.gz CJXLBPZNAGBIFG-QGZVFWFLSA-N 2 0 356.514 3.227 20 0 FGADRP C[NH+](C)[C@@H]1CCc2cc(NC(=O)N3CC[C@@H]4[C@H](CCC[N@@H+]4C)C3)ccc21 ZINC000455924885 501417120 /nfs/dbraw/zinc/41/71/20/501417120.db2.gz MTMYBHHPQOORRC-NSISKUIASA-N 2 0 356.514 3.184 20 0 FGADRP C[NH+](C)[C@H]1CCc2cc(NC(=O)NC3C[C@H]4CCC[C@@H](C3)[N@H+]4C)ccc21 ZINC000455936425 501420309 /nfs/dbraw/zinc/42/03/09/501420309.db2.gz RUYDZSJCWLKFSP-DLZDZTESSA-N 2 0 356.514 3.372 20 0 FGADRP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000455950533 501424069 /nfs/dbraw/zinc/42/40/69/501424069.db2.gz ZSDAHPKWYCSJMH-HBFSDRIKSA-N 2 0 356.514 3.326 20 0 FGADRP C[NH+](C)[C@@H]1CCc2cc(NC(=O)N3CCC[C@@H]3C[NH+]3CCCC3)ccc21 ZINC000455950529 501424088 /nfs/dbraw/zinc/42/40/88/501424088.db2.gz ZRTBGNUBOBKNHF-UYAOXDASSA-N 2 0 356.514 3.328 20 0 FGADRP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)NCC[C@H]2CCC[N@H+](C)C2)CC1 ZINC000458396857 501435542 /nfs/dbraw/zinc/43/55/42/501435542.db2.gz DCZLDQDXQLQRQD-RBUKOAKNSA-N 2 0 372.557 3.243 20 0 FGADRP C[NH+](C)CCCC(C)(C)NC(=O)c1ccc(C[NH+]2CCSCC2)cc1 ZINC000456166202 501467976 /nfs/dbraw/zinc/46/79/76/501467976.db2.gz JBBAONNFJJGYBQ-UHFFFAOYSA-N 2 0 363.571 3.086 20 0 FGADRP C[N@H+](CCCCNC(=O)NC[C@H]1CCCC[NH+]1Cc1ccccc1)C1CC1 ZINC000454383619 501529647 /nfs/dbraw/zinc/52/96/47/501529647.db2.gz FRMKUOLZYJSPRP-OAQYLSRUSA-N 2 0 372.557 3.215 20 0 FGADRP C[C@H](NC(=O)N1CC[N@H+](Cc2ccccc2)C[C@@H](C)C1)C(C)(C)C[NH+](C)C ZINC000454680685 501608088 /nfs/dbraw/zinc/60/80/88/501608088.db2.gz ZDSJNNLEZFRWKL-MOPGFXCFSA-N 2 0 374.573 3.126 20 0 FGADRP C[C@@H]1CCN(C(=O)NCC[C@H]2CCC[NH+](C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000459273305 501623165 /nfs/dbraw/zinc/62/31/65/501623165.db2.gz YCDLAFFLHICREO-TZIWHRDSSA-N 2 0 372.557 3.024 20 0 FGADRP C[C@@H](NC(=O)NCCCC[N@H+](C)C1CC1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000454760928 501623764 /nfs/dbraw/zinc/62/37/64/501623764.db2.gz DOTQLIZFEWZWHT-UYAOXDASSA-N 2 0 372.557 3.071 20 0 FGADRP C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)Cc1cc(=O)[nH]c(C2CC2)n1 ZINC000459367443 501640042 /nfs/dbraw/zinc/64/00/42/501640042.db2.gz FFQHEBXODBQOCN-UHFFFAOYSA-N 2 0 367.497 3.193 20 0 FGADRP C[NH+]1CCN(c2ccc(C[NH2+]C3CC(C)(c4ccccc4)C3)cn2)CC1 ZINC000459365741 501640340 /nfs/dbraw/zinc/64/03/40/501640340.db2.gz MGEMFJQYWPZZEI-UHFFFAOYSA-N 2 0 350.510 3.043 20 0 FGADRP c1cnc(N2CC[NH+](CCCC[NH2+]Cc3ccc(C4CC4)cc3)CC2)nc1 ZINC000459408494 501648379 /nfs/dbraw/zinc/64/83/79/501648379.db2.gz WVDAJFSUMFFIDM-UHFFFAOYSA-N 2 0 365.525 3.046 20 0 FGADRP O=C(NC[C@H]1CCC[N@@H+]1C1CCCCC1)NC1CC[NH+](C2CCC2)CC1 ZINC000454897794 501651454 /nfs/dbraw/zinc/65/14/54/501651454.db2.gz KEMNWCGYMXOYFS-HXUWFJFHSA-N 2 0 362.562 3.100 20 0 FGADRP Cc1cc(C)c(CNC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)cn1 ZINC000454960840 501662025 /nfs/dbraw/zinc/66/20/25/501662025.db2.gz MLFVZIIXJKQQPC-FXAWDEMLSA-N 2 0 352.482 3.161 20 0 FGADRP Cn1ncnc1C[N@@H+]1CCCCC[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000459514762 501667461 /nfs/dbraw/zinc/66/74/61/501667461.db2.gz CGBXOSBOFIHDJH-OAQYLSRUSA-N 2 0 367.541 3.472 20 0 FGADRP O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)NC1CC[NH+](C2CCC2)CC1 ZINC000457440267 501698769 /nfs/dbraw/zinc/69/87/69/501698769.db2.gz KPLMJMOUMBFOGW-IBGZPJMESA-N 2 0 374.529 3.123 20 0 FGADRP C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000459728032 501705119 /nfs/dbraw/zinc/70/51/19/501705119.db2.gz CKTZBTJRBPMTHJ-SJORKVTESA-N 2 0 365.949 3.399 20 0 FGADRP C[N@@H+]1CCC[C@H](CC[NH2+]Cc2cn(-c3ccc(Cl)c(Cl)c3)nn2)C1 ZINC000459730579 501705300 /nfs/dbraw/zinc/70/53/00/501705300.db2.gz DVUOMGUGQVDZMS-CYBMUJFWSA-N 2 0 368.312 3.396 20 0 FGADRP C[N@H+](CCCCNC(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1)C1CC1 ZINC000457492834 501709612 /nfs/dbraw/zinc/70/96/12/501709612.db2.gz PSEXQKOFIUSBPR-KRWDZBQOSA-N 2 0 364.559 3.059 20 0 FGADRP CO[C@H]1C[C@@H]([NH2+]Cc2ccccc2N(C)C2CC[NH+](C)CC2)C12CCC2 ZINC000459799073 501715015 /nfs/dbraw/zinc/71/50/15/501715015.db2.gz YHBKGIOJOIOADL-RTWAWAEBSA-N 2 0 357.542 3.264 20 0 FGADRP COC(=O)Cc1ccnc(NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c1 ZINC000596120336 506269175 /nfs/dbraw/zinc/26/91/75/506269175.db2.gz QNFBBZJGBVYSCJ-IHWFROFDSA-N 2 0 365.477 3.405 20 0 FGADRP CC(C)[NH+]1CCC(N2CC[NH+](C[C@@H]3CCC4(CCCCC4)O3)CC2)CC1 ZINC000467202411 501736013 /nfs/dbraw/zinc/73/60/13/501736013.db2.gz RRVQQFOIKBHKLI-NRFANRHFSA-N 2 0 363.590 3.359 20 0 FGADRP CCCN(CC[NH+]1CCCCCC1)C(=O)NCC1CC[NH+](CCC)CC1 ZINC000460159852 501744102 /nfs/dbraw/zinc/74/41/02/501744102.db2.gz HJYWZDAKFQXBGX-UHFFFAOYSA-N 2 0 366.594 3.406 20 0 FGADRP CC(C)[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCC[NH+](Cc3cccc(F)c3)C2)C1 ZINC000470672187 501761489 /nfs/dbraw/zinc/76/14/89/501761489.db2.gz BRADVQRYFWJSGI-ICSRJNTNSA-N 2 0 361.505 3.027 20 0 FGADRP C[C@@H](Cc1cccc(C(F)(F)F)c1)[NH2+]CCCC[N@@H+]1CCC[C@H]1CO ZINC000467378238 501781928 /nfs/dbraw/zinc/78/19/28/501781928.db2.gz UJGXDGOBWAZJLG-YJBOKZPZSA-N 2 0 358.448 3.463 20 0 FGADRP C[C@@H]1CCC[N@H+](CCNC(=O)N(C)[C@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000470736890 501787164 /nfs/dbraw/zinc/78/71/64/501787164.db2.gz KXUFGMLUJYGOQJ-CTNGQTDRSA-N 2 0 372.557 3.024 20 0 FGADRP C[NH+](C)[C@@H](CNC(=O)C[N@@H+]1CCC[C@@H]1Cc1ccccc1)c1ccccc1 ZINC000460373384 501807242 /nfs/dbraw/zinc/80/72/42/501807242.db2.gz DUXVVOJYNNTIDW-YADHBBJMSA-N 2 0 365.521 3.113 20 0 FGADRP CC[N@H+](CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)Cc1ccccc1C ZINC000460379825 501810382 /nfs/dbraw/zinc/81/03/82/501810382.db2.gz KCCFNWJTXHBEES-NRFANRHFSA-N 2 0 353.510 3.236 20 0 FGADRP C[C@H](C(=O)N1CCCCC1)[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000485489550 501835267 /nfs/dbraw/zinc/83/52/67/501835267.db2.gz JNANQVONRKTMTE-HXUWFJFHSA-N 2 0 369.553 3.376 20 0 FGADRP C[C@@H](CCc1ccc(I)cc1)[NH2+]CCC[NH+](C)C ZINC000474462228 501845166 /nfs/dbraw/zinc/84/51/66/501845166.db2.gz SBBPSQOEGNUUAH-ZDUSSCGKSA-N 2 0 360.283 3.154 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CNC(=O)NC[C@H]1CCCC[NH+](Cc2ccccc2)C1 ZINC000460520466 501848032 /nfs/dbraw/zinc/84/80/32/501848032.db2.gz ISDHUACJDLUNMT-RTWAWAEBSA-N 2 0 372.557 3.072 20 0 FGADRP C[C@@H]1[C@H](NC(=O)NC(C)(C)CCC[NH+](C)C)CC[N@@H+]1Cc1ccccc1 ZINC000458776452 501869882 /nfs/dbraw/zinc/86/98/82/501869882.db2.gz NLTSJHTXULOFDN-IEBWSBKVSA-N 2 0 360.546 3.069 20 0 FGADRP C[C@H]([NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1)C1(c2ccccc2)CCCC1 ZINC000481845022 501898216 /nfs/dbraw/zinc/89/82/16/501898216.db2.gz LHDYVMSCXQTPHA-SFHVURJKSA-N 2 0 369.553 3.220 20 0 FGADRP CC1CC[NH+](Cc2ccccc2CNC(=O)CC2CC[NH+](C)CC2)CC1 ZINC000485715782 501912272 /nfs/dbraw/zinc/91/22/72/501912272.db2.gz JCXPHHDGCRVXLP-UHFFFAOYSA-N 2 0 357.542 3.267 20 0 FGADRP CCCN(CC[NH+]1CCCCCC1)C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000460758600 501913332 /nfs/dbraw/zinc/91/33/32/501913332.db2.gz ZPVNVWPIIRBNJC-UHFFFAOYSA-N 2 0 364.578 3.301 20 0 FGADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NC[C@@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC000467973651 501916895 /nfs/dbraw/zinc/91/68/95/501916895.db2.gz NUVGLEQACXCKCZ-ZVDOUQERSA-N 2 0 357.542 3.449 20 0 FGADRP C[C@H](c1ccc(Cl)cc1)[C@H](C)[NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000474708481 501928079 /nfs/dbraw/zinc/92/80/79/501928079.db2.gz LNQKXKORLHODNE-YQQAZPJKSA-N 2 0 351.922 3.009 20 0 FGADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)c2cc([C@@H]3CC[NH2+]C3)[nH]n2)cc1 ZINC000485787943 501936827 /nfs/dbraw/zinc/93/68/27/501936827.db2.gz QQVVJCACVGHVAW-DOTOQJQBSA-N 2 0 367.497 3.113 20 0 FGADRP CNC(=O)C[C@@H]([NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1)c1ccccc1 ZINC000482075618 501966007 /nfs/dbraw/zinc/96/60/07/501966007.db2.gz XKJSQYWDFUIKCJ-LAUBAEHRSA-N 2 0 369.509 3.155 20 0 FGADRP CC(C)(CNC(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)C[NH+]1CCCC1 ZINC000478406978 501970583 /nfs/dbraw/zinc/97/05/83/501970583.db2.gz GHDQMDMORHQXMX-HXUWFJFHSA-N 2 0 372.557 3.072 20 0 FGADRP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc(Cl)cc2-n2cncn2)C1 ZINC000474878623 501978946 /nfs/dbraw/zinc/97/89/46/501978946.db2.gz KTXWQFCZEYHSKM-INIZCTEOSA-N 2 0 361.921 3.378 20 0 FGADRP C[C@@H]([NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1)c1ccc(F)cc1F ZINC000482114244 501979034 /nfs/dbraw/zinc/97/90/34/501979034.db2.gz MLRNRDGCFCXVQI-MRXNPFEDSA-N 2 0 360.452 3.223 20 0 FGADRP C[C@@H]1Cc2ccc(F)cc2[C@@H]1[NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000482130269 501983259 /nfs/dbraw/zinc/98/32/59/501983259.db2.gz UVFYRVIFWWEDSZ-VGOFRKELSA-N 2 0 368.500 3.256 20 0 FGADRP Cc1ccccc1[C@@H]1CC[N@@H+](CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000475037315 502029561 /nfs/dbraw/zinc/02/95/61/502029561.db2.gz CSHLLXHTDMRUNB-IFMALSPDSA-N 2 0 365.521 3.203 20 0 FGADRP C[C@H](CC[NH+]1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1)OCc1ccccc1 ZINC000475044596 502033599 /nfs/dbraw/zinc/03/35/99/502033599.db2.gz CKQCWQBVISYSOS-YPAWHYETSA-N 2 0 373.585 3.472 20 0 FGADRP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N(C)[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000475093621 502055003 /nfs/dbraw/zinc/05/50/03/502055003.db2.gz HAKRZJBRYPTNDV-SFTDATJTSA-N 2 0 372.557 3.023 20 0 FGADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N(C)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000475113240 502063735 /nfs/dbraw/zinc/06/37/35/502063735.db2.gz GBCLQSHWRBYMAO-NHCUHLMSSA-N 2 0 372.557 3.167 20 0 FGADRP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000475121752 502067305 /nfs/dbraw/zinc/06/73/05/502067305.db2.gz SELQKLAJHMHOIN-QZTJIDSGSA-N 2 0 364.578 3.346 20 0 FGADRP Cc1ccc2nc(CSCC(=O)NC[C@@H]3[N@H+](C)CCCC3(C)C)cn2c1 ZINC000468495534 502081106 /nfs/dbraw/zinc/08/11/06/502081106.db2.gz IHGICDNSFAJENL-KRWDZBQOSA-N 2 0 374.554 3.113 20 0 FGADRP CCN(C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475163173 502087880 /nfs/dbraw/zinc/08/78/80/502087880.db2.gz FWVDKWUCRSLSSJ-QUCCMNQESA-N 2 0 374.573 3.269 20 0 FGADRP CCN(C(=O)N[C@@H](C)C[NH+]1CCCCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475170325 502088379 /nfs/dbraw/zinc/08/83/79/502088379.db2.gz CGTKTFXKCATMID-PZJWPPBQSA-N 2 0 372.557 3.167 20 0 FGADRP NC(=O)[C@@H]1CCCN1CCC[NH2+][C@H]1CCCSc2ccc(Cl)cc21 ZINC000482633880 502134295 /nfs/dbraw/zinc/13/42/95/502134295.db2.gz RXRZTKTUBWWRHM-HOTGVXAUSA-N 2 0 367.946 3.196 20 0 FGADRP CCN(CCC[NH+](C)C)C(=O)NCC[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000468676156 502142847 /nfs/dbraw/zinc/14/28/47/502142847.db2.gz SDRVGQXZNXIUDG-CTNGQTDRSA-N 2 0 374.573 3.270 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)[C@H](C[NH3+])c1ccc(F)cc1)c1ccccc1 ZINC000479049553 502147283 /nfs/dbraw/zinc/14/72/83/502147283.db2.gz GWRFKBBQBYOQJH-WOJBJXKFSA-N 2 0 357.473 3.067 20 0 FGADRP COc1cc(C)nc(CNc2ccc(C)c(NC(=O)CC[NH+](C)C)c2)c1 ZINC000468691874 502148543 /nfs/dbraw/zinc/14/85/43/502148543.db2.gz ZGAATAIEKKMEJX-UHFFFAOYSA-N 2 0 356.470 3.209 20 0 FGADRP C[C@@H](NC(=O)NCC(C)(C)C[NH+]1CCCC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000479063801 502151296 /nfs/dbraw/zinc/15/12/96/502151296.db2.gz PPFYSZYATYRZGD-MSOLQXFVSA-N 2 0 364.578 3.061 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1coc2cc(F)ccc12 ZINC000475452006 502175743 /nfs/dbraw/zinc/17/57/43/502175743.db2.gz LZBVOBZEMMKZHL-INIZCTEOSA-N 2 0 361.461 3.060 20 0 FGADRP C[C@H]([NH2+]Cc1ccc([S@@](C)=O)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000486557888 502190198 /nfs/dbraw/zinc/19/01/98/502190198.db2.gz AAUVKPMNHLEJIA-WVFSIPRWSA-N 2 0 356.535 3.424 20 0 FGADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)[C@@H](C[NH3+])c1ccc(F)cc1)c1ccccc1 ZINC000479221142 502195947 /nfs/dbraw/zinc/19/59/47/502195947.db2.gz IJCCWCVRRVGMDQ-BEFAXECRSA-N 2 0 357.473 3.114 20 0 FGADRP [NH3+]C[C@@H](C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1)c1ccc(F)cc1 ZINC000479227239 502198637 /nfs/dbraw/zinc/19/86/37/502198637.db2.gz SZALSALCEHLMRZ-LEWJYISDSA-N 2 0 369.484 3.039 20 0 FGADRP CC(C)[N@H+]1C[C@H](NC(=O)NCC(C)(C)[NH2+][C@@H](C)c2ccccc2)[C@@H](C)C1 ZINC000465180154 502208249 /nfs/dbraw/zinc/20/82/49/502208249.db2.gz XIEZJSVYEYYMQW-LNLFQRSKSA-N 2 0 360.546 3.144 20 0 FGADRP CCN(CCC[NH+]1CCCC1)C(=O)N[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000472072554 502219781 /nfs/dbraw/zinc/21/97/81/502219781.db2.gz FIFVAWOVIZMDPE-PZJWPPBQSA-N 2 0 372.557 3.167 20 0 FGADRP CCN(CCC[NH+]1CCCC1)C(=O)NCCCC[NH+]1CCC(C)CC1 ZINC000472109710 502235524 /nfs/dbraw/zinc/23/55/24/502235524.db2.gz CKTMIZOSNWMUFT-UHFFFAOYSA-N 2 0 352.567 3.016 20 0 FGADRP C[C@@H](CCCCN1C(=O)c2ccccc2C1=O)[NH2+]CCC[NH+]1CCCCC1 ZINC000472146604 502247411 /nfs/dbraw/zinc/24/74/11/502247411.db2.gz ZHPDWYWEWQXDSM-SFHVURJKSA-N 2 0 371.525 3.307 20 0 FGADRP CC[NH+](CC)CCCNC(=O)N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000479408852 502249279 /nfs/dbraw/zinc/24/92/79/502249279.db2.gz DSGMSYZGMXCYOV-LJQANCHMSA-N 2 0 366.594 3.404 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H](NC[C@@H]2CC[NH+](Cc3ccccc3)C2)[C@@H](C)C1 ZINC000479468601 502268882 /nfs/dbraw/zinc/26/88/82/502268882.db2.gz YREZBCKAFRYYQI-PMVMPFDFSA-N 2 0 373.585 3.235 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](c1ccccc1)C1CC1 ZINC000465491158 502277152 /nfs/dbraw/zinc/27/71/52/502277152.db2.gz OMMWYERZOBPELU-SFTDATJTSA-N 2 0 372.557 3.195 20 0 FGADRP CC[N@@H+](CC(=O)N1CCC[NH+](Cc2ccc(C)cc2)CC1)CC1CCC1 ZINC000483125986 502282481 /nfs/dbraw/zinc/28/24/81/502282481.db2.gz XVOXFUDZYBBYFR-UHFFFAOYSA-N 2 0 357.542 3.151 20 0 FGADRP C(=C\c1ccncc1)\C[NH2+]CCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000486931720 502307092 /nfs/dbraw/zinc/30/70/92/502307092.db2.gz BFLUBOSWFNRRFJ-TWGQIWQCSA-N 2 0 364.537 3.282 20 0 FGADRP C[C@@H]1C[C@H](NC(=O)NCc2ccccc2C[N@H+]2CCCC[C@@H]2C)CC[NH+]1C ZINC000465559810 502308124 /nfs/dbraw/zinc/30/81/24/502308124.db2.gz BNEDNFIJULNIOI-WAOWUJCRSA-N 2 0 372.557 3.343 20 0 FGADRP C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)N[C@@H]3CC[NH+](C)[C@@H](C)C3)cc2)C1 ZINC000465570641 502311820 /nfs/dbraw/zinc/31/18/20/502311820.db2.gz MWPYGAKCEZCZFW-LVCYWYKZSA-N 2 0 372.557 3.200 20 0 FGADRP CC[NH+]1CCC(N[C@@H](C)c2cc(F)ccc2N2CC[NH+](CC)CC2)CC1 ZINC000462116547 502313323 /nfs/dbraw/zinc/31/33/23/502313323.db2.gz OOMJMNPCYGSBNA-KRWDZBQOSA-N 2 0 362.537 3.103 20 0 FGADRP CCC(CC)[C@@H](CNC(=O)N(C)CC[C@H]1CCCC[N@@H+]1C)[NH+]1CCCC1 ZINC000465584510 502316667 /nfs/dbraw/zinc/31/66/67/502316667.db2.gz DOAVLXARLCFVGA-WOJBJXKFSA-N 2 0 366.594 3.403 20 0 FGADRP CC(C)[N@H+]1CCc2nc(CN[C@@H](C)C[NH+]3CCCCCC3)sc2C1 ZINC000479609844 502318103 /nfs/dbraw/zinc/31/81/03/502318103.db2.gz CNHLUSKTHXYLJX-INIZCTEOSA-N 2 0 350.576 3.264 20 0 FGADRP C[C@H](CC[NH+](C)C)NC(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000475902876 502327274 /nfs/dbraw/zinc/32/72/74/502327274.db2.gz XFPUBIOKFHDENK-KNQAVFIVSA-N 2 0 372.557 3.024 20 0 FGADRP CC[C@H](C(=O)N1CCN([C@H](C)c2cccc(OC)c2)CC1)[NH+](CC)CC ZINC000469195757 502332201 /nfs/dbraw/zinc/33/22/01/502332201.db2.gz NJHVJCVUUNJUTP-YLJYHZDGSA-N 2 0 361.530 3.021 20 0 FGADRP CC[C@@H]1CCCC[C@H]1NC(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@@H+]1CC ZINC000465669267 502342098 /nfs/dbraw/zinc/34/20/98/502342098.db2.gz WJUSKEUDBXWUAU-CEXWTWQISA-N 2 0 352.567 3.013 20 0 FGADRP CC[NH+](CC)CCOC1CC[NH+](Cc2ccc(N(C)C(C)C)nc2)CC1 ZINC000483298590 502343243 /nfs/dbraw/zinc/34/32/43/502343243.db2.gz ROMVNDOLBCSAOW-UHFFFAOYSA-N 2 0 362.562 3.249 20 0 FGADRP O=C(N[C@H]1CCC[N@H+](CCC2CC[NH2+]CC2)C1)c1ccc2ccccc2c1 ZINC000479693627 502347294 /nfs/dbraw/zinc/34/72/94/502347294.db2.gz XVBVLGIVXNSFGX-QFIPXVFZSA-N 2 0 365.521 3.424 20 0 FGADRP O=C(C1CC[NH+](CCC2CC[NH2+]CC2)CC1)N(Cc1ccccc1)C1CC1 ZINC000479700835 502349522 /nfs/dbraw/zinc/34/95/22/502349522.db2.gz PCIKMFGJWVIZTJ-UHFFFAOYSA-N 2 0 369.553 3.279 20 0 FGADRP CC[NH+](CC)Cc1ccccc1CNC(=O)N1CC[N@H+](C)[C@@H](C(C)C)C1 ZINC000487142478 502370660 /nfs/dbraw/zinc/37/06/60/502370660.db2.gz USGUHDGOTZLUBA-HXUWFJFHSA-N 2 0 360.546 3.010 20 0 FGADRP C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC000465762895 502374846 /nfs/dbraw/zinc/37/48/46/502374846.db2.gz RWEPZYZTFLYKOB-WJXKREEZSA-N 2 0 364.578 3.057 20 0 FGADRP C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000479789587 502378395 /nfs/dbraw/zinc/37/83/95/502378395.db2.gz RZBJGXLVMQVWLB-HMXCVIKNSA-N 2 0 370.541 3.092 20 0 FGADRP Cc1ccccc1[C@H]([C@@H](C)NC(=O)N[C@@H](C)C[NH+]1CCCCC1)[NH+](C)C ZINC000479790069 502378605 /nfs/dbraw/zinc/37/86/05/502378605.db2.gz QRZMWPFVTFSSQM-NSHGMRRFSA-N 2 0 360.546 3.160 20 0 FGADRP CCC[NH+]1CCC(NC(=O)N[C@@H](C[N@H+](C)Cc2ccccc2)C(C)C)CC1 ZINC000469421104 502410520 /nfs/dbraw/zinc/41/05/20/502410520.db2.gz YLSBVKHNAGXPDB-NRFANRHFSA-N 2 0 374.573 3.317 20 0 FGADRP C[NH+]1CCN(c2ccc(C(F)(F)F)cc2C[NH2+]C[C@@H]2CCSC2)CC1 ZINC000487301232 502412888 /nfs/dbraw/zinc/41/28/88/502412888.db2.gz RBCICJAIXXIHHU-AWEZNQCLSA-N 2 0 373.488 3.300 20 0 FGADRP C[C@H]1CCC[C@@](CNC(=O)NCCCCC[NH+]2CCCCC2)([NH+](C)C)C1 ZINC000476206470 502414518 /nfs/dbraw/zinc/41/45/18/502414518.db2.gz RZXSVMLGCAVFFG-PZJWPPBQSA-N 2 0 366.594 3.452 20 0 FGADRP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N[C@H]1C[C@@H](C)[NH+](C2CC2)C1 ZINC000469441307 502419533 /nfs/dbraw/zinc/41/95/33/502419533.db2.gz TUJFUAWBWZQXPD-LMNJBCLMSA-N 2 0 372.557 3.067 20 0 FGADRP CCC[NH+]1CCC(NC(=O)N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000466116024 502481961 /nfs/dbraw/zinc/48/19/61/502481961.db2.gz NBFRGNANCKJVAO-FQEVSTJZSA-N 2 0 372.557 3.024 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CC[NH+]([C@@H](C)c3ccccc3)C2)C[C@@H]1C ZINC000483756147 502484347 /nfs/dbraw/zinc/48/43/47/502484347.db2.gz CFWQOAOELZCMNV-MMKMLUHNSA-N 2 0 372.557 3.336 20 0 FGADRP CC(C)[N@@H+]1CCCN(C(=O)NCC[C@@H](C)[NH+](C)Cc2ccccc2)CC1 ZINC000473009788 502498392 /nfs/dbraw/zinc/49/83/92/502498392.db2.gz IKRNELYJLNTCPJ-LJQANCHMSA-N 2 0 360.546 3.023 20 0 FGADRP CCC[NH+]1CCC(NC(=O)N[C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000483888046 502513776 /nfs/dbraw/zinc/51/37/76/502513776.db2.gz SWXHMWLEMBIISR-ICSRJNTNSA-N 2 0 372.557 3.071 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@H](c2ccsc2)N(C)C)[C@H](C)C1 ZINC000480280325 502524208 /nfs/dbraw/zinc/52/42/08/502524208.db2.gz UBHVIOWLIBQQKB-NEWSRXKRSA-N 2 0 353.576 3.077 20 0 FGADRP C[NH+](C)CCN(Cc1ccccc1)C(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000466300247 502531034 /nfs/dbraw/zinc/53/10/34/502531034.db2.gz UPRDXYVXGXABBR-NRFANRHFSA-N 2 0 372.557 3.024 20 0 FGADRP C[C@H]1CCC[N@H+](CCCCNC(=O)N2CC[NH+](C3CCC3)C[C@H](C)C2)C1 ZINC000487850400 502547011 /nfs/dbraw/zinc/54/70/11/502547011.db2.gz KXUMYVRTFWVFMH-OALUTQOASA-N 2 0 364.578 3.014 20 0 FGADRP C[C@H](NC(=O)NCC1([NH+](C)C)CCCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000487889866 502557452 /nfs/dbraw/zinc/55/74/52/502557452.db2.gz AKAXBQUETVBPTI-ICSRJNTNSA-N 2 0 372.557 3.071 20 0 FGADRP Cc1nn(-c2ccc(Br)cc2)cc1C[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000469851546 502568279 /nfs/dbraw/zinc/56/82/79/502568279.db2.gz YWERBRJLUVIZLP-GXTWGEPZSA-N 2 0 363.303 3.112 20 0 FGADRP Cc1cc2cc(C[N@@H+]3CCC[C@@H](CNC(=O)[C@H]4CCC[NH2+]4)C3)oc2cc1C ZINC000469857794 502570258 /nfs/dbraw/zinc/57/02/58/502570258.db2.gz XRXZFHNYKWVTPJ-FXAWDEMLSA-N 2 0 369.509 3.130 20 0 FGADRP C[N@H+](Cc1ccc(OC(F)F)c(Br)c1)CC(C)(C)C[NH3+] ZINC000469859908 502572461 /nfs/dbraw/zinc/57/24/61/502572461.db2.gz QHVMDHJXYIUDAC-UHFFFAOYSA-N 2 0 351.235 3.467 20 0 FGADRP CCOc1cc(C[N@H+](C)CC(C)(C)C[NH3+])cc(Br)c1OC ZINC000469862456 502573655 /nfs/dbraw/zinc/57/36/55/502573655.db2.gz MMEYDQMGCXZUDU-UHFFFAOYSA-N 2 0 359.308 3.273 20 0 FGADRP C[NH+](C)CCOC1CC[NH+](Cc2ccc(C(=O)OC(C)(C)C)cc2)CC1 ZINC000462795973 502578203 /nfs/dbraw/zinc/57/82/03/502578203.db2.gz HNXPIWXXDMAYPN-UHFFFAOYSA-N 2 0 362.514 3.185 20 0 FGADRP C[C@H]([NH2+]C[C@@]1(O)CCN(Cc2ccccc2)C1)c1ccc2c(c1)CCC2 ZINC000484155857 502587734 /nfs/dbraw/zinc/58/77/34/502587734.db2.gz FJOQMVDQMGAFJJ-MBSDFSHPSA-N 2 0 350.506 3.463 20 0 FGADRP CC[C@@H](C)[NH2+][C@@H](CNC(=O)NC1CC[NH+](C(C)(C)C)CC1)c1ccco1 ZINC000484365749 502633262 /nfs/dbraw/zinc/63/32/62/502633262.db2.gz HDWJJXOBELOMTM-WBVHZDCISA-N 2 0 364.534 3.271 20 0 FGADRP CC[NH+](CC)Cc1ccccc1CNC(=O)N1CC[C@H]([NH+]2CCCC2)[C@H]1C ZINC000476962934 502634843 /nfs/dbraw/zinc/63/48/43/502634843.db2.gz PZOBSSKLZJGEDL-NQIIRXRSSA-N 2 0 372.557 3.297 20 0 FGADRP CC[NH+](CC)CC1CC[NH+]([C@@H](C)C(=O)N2c3ccccc3C[C@H]2C)CC1 ZINC000488358551 502692658 /nfs/dbraw/zinc/69/26/58/502692658.db2.gz IZBNLPVQTKQTTN-MSOLQXFVSA-N 2 0 357.542 3.407 20 0 FGADRP Cc1cccc(C(=O)NCC[NH2+][C@H](C)c2ccc(OCC[NH+](C)C)cc2)c1 ZINC000480895947 502700010 /nfs/dbraw/zinc/70/00/10/502700010.db2.gz AHYXYYPSNZLZNA-GOSISDBHSA-N 2 0 369.509 3.016 20 0 FGADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N[C@@H]2CC[NH+](C3CCCC3)C2)C1 ZINC000477240815 502716244 /nfs/dbraw/zinc/71/62/44/502716244.db2.gz AGDWQCQAYOORDB-QZTJIDSGSA-N 2 0 364.578 3.203 20 0 FGADRP CC[C@H](C)[NH2+][C@H](CNC(=O)NC[C@H](C)[NH+]1CCC(C)CC1)c1ccco1 ZINC000488455284 502719093 /nfs/dbraw/zinc/71/90/93/502719093.db2.gz COMTWOREGSVIHL-OKZBNKHCSA-N 2 0 364.534 3.128 20 0 FGADRP C[C@H](Cn1cccn1)[NH2+]CCc1ccc(OCC[NH+]2C[C@@H](C)[C@H](C)C2)cc1 ZINC000470310752 502732045 /nfs/dbraw/zinc/73/20/45/502732045.db2.gz WIOCMFSNOVNSOX-VAMGGRTRSA-N 2 0 370.541 3.071 20 0 FGADRP Cc1ccccc1[C@H]([C@@H](C)NC(=O)NC1CC[NH+](CC2CC2)CC1)[NH+](C)C ZINC000484772325 502736703 /nfs/dbraw/zinc/73/67/03/502736703.db2.gz PRUBJDWGEFJYEQ-UTKZUKDTSA-N 2 0 372.557 3.160 20 0 FGADRP CCN(C(=O)NC1CC[NH+](CC)CC1)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000473883594 502737401 /nfs/dbraw/zinc/73/74/01/502737401.db2.gz ZVYVLHLFCNIPQE-WIYYLYMNSA-N 2 0 372.557 3.338 20 0 FGADRP COc1c[nH+]ccc1N1CCN(c2cc(C)[nH+]c3ccc(F)cc32)CC1 ZINC000481041140 502738223 /nfs/dbraw/zinc/73/82/23/502738223.db2.gz TZELINPXKTYKFU-UHFFFAOYSA-N 2 0 352.413 3.413 20 0 FGADRP C[C@H]1CC[N@H+](CCOc2ccc(NC(=O)c3ccc4c(c3)C[NH2+]C4)cc2)C1 ZINC000470366101 502751523 /nfs/dbraw/zinc/75/15/23/502751523.db2.gz CFMQSJAGZFYPLD-INIZCTEOSA-N 2 0 365.477 3.263 20 0 FGADRP CCCN(CC[NH+]1CCCC1)C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000481137757 502763745 /nfs/dbraw/zinc/76/37/45/502763745.db2.gz HMCDLRWRCRXBDS-NRFANRHFSA-N 2 0 372.557 3.168 20 0 FGADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H](O)COCc1ccccc1 ZINC000481166565 502770999 /nfs/dbraw/zinc/77/09/99/502770999.db2.gz FOADEBGHVLUSRG-PMOQBDJRSA-N 2 0 368.521 3.064 20 0 FGADRP CC[NH+](CC)[C@@H]1CCN(C(=O)N[C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000488642284 502772763 /nfs/dbraw/zinc/77/27/63/502772763.db2.gz IEAGRMPYQHLWRY-SESVDKBCSA-N 2 0 372.557 3.023 20 0 FGADRP CC(C)CN(C(=O)CN[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)C(C)C ZINC000481175561 502773487 /nfs/dbraw/zinc/77/34/87/502773487.db2.gz WQJVSKIHWXWLRE-TZIWHRDSSA-N 2 0 359.558 3.380 20 0 FGADRP CC[N@@H+]1CC[C@H]([NH+](C)CCC(=O)N[C@@H]2CCCc3ccccc32)C[C@@H]1C ZINC000484918745 502775719 /nfs/dbraw/zinc/77/57/19/502775719.db2.gz IRBYNWXBBAXHOU-HFSMHLIXSA-N 2 0 357.542 3.375 20 0 FGADRP CC[NH+](CC)CCOc1ccccc1NC(=O)c1ccc2c(c1)C[NH2+]C2 ZINC000470466520 502786177 /nfs/dbraw/zinc/78/61/77/502786177.db2.gz GZXARGRFJXFMTA-UHFFFAOYSA-N 2 0 353.466 3.263 20 0 FGADRP C[NH+]1CCC(C[NH2+][C@@H]2CCCC[C@H]2[C@@H]2CCOC2)(N2CCCCC2)CC1 ZINC000474049757 502789656 /nfs/dbraw/zinc/78/96/56/502789656.db2.gz CAPNSXHJTGOWMK-QHAWAJNXSA-N 2 0 363.590 3.122 20 0 FGADRP CC(C)[NH+](CCCNC(=O)NCCC[NH+]1C[C@@H](C)C[C@H](C)C1)C(C)C ZINC000470478218 502790255 /nfs/dbraw/zinc/79/02/55/502790255.db2.gz UOBOTHFXCDJMGS-OALUTQOASA-N 2 0 354.583 3.163 20 0 FGADRP C[C@H]([NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1)C1CCC(F)(F)CC1 ZINC000474048977 502790360 /nfs/dbraw/zinc/79/03/60/502790360.db2.gz YZRZIIRJZSOMNF-HNNXBMFYSA-N 2 0 367.484 3.282 20 0 FGADRP CC[C@H](C(=O)N(CC)C[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+](CC)CC ZINC000470531042 502806728 /nfs/dbraw/zinc/80/67/28/502806728.db2.gz UFCYTULZMLNSLF-LEWJYISDSA-N 2 0 359.558 3.477 20 0 FGADRP CC[N@H+](Cc1ccc(C(=O)N2C[C@H](SC)[C@@H]([NH+](C)C)C2)cc1)C(C)C ZINC000495728413 502860884 /nfs/dbraw/zinc/86/08/84/502860884.db2.gz NSZKAQNTJWLOPW-OALUTQOASA-N 2 0 363.571 3.035 20 0 FGADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)NCCCC[NH+]1C[C@H](C)C[C@H](C)C1 ZINC000500840850 502875189 /nfs/dbraw/zinc/87/51/89/502875189.db2.gz VLSDROHAORWXPK-HSALFYBXSA-N 2 0 366.594 3.308 20 0 FGADRP CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000500899596 502889040 /nfs/dbraw/zinc/88/90/40/502889040.db2.gz GUVNHDPLYIQIBJ-FQEVSTJZSA-N 2 0 366.594 3.260 20 0 FGADRP CCCCO[C@@H]1C[C@@H]([N@H+](C)CCCN2CC[NH+](C(C)C)CC2)C1(C)C ZINC000500985378 502905684 /nfs/dbraw/zinc/90/56/84/502905684.db2.gz RUJJJXWAEVAZCQ-WOJBJXKFSA-N 2 0 353.595 3.318 20 0 FGADRP C[C@H]1CCCC[C@@H]1N(C)C(=O)C[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501023698 502914379 /nfs/dbraw/zinc/91/43/79/502914379.db2.gz UNBIUPMITFQCBF-RXVVDRJESA-N 2 0 372.557 3.267 20 0 FGADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)NC[C@@H](c1ccc(C)cc1)[NH+](C)C ZINC000501045895 502921016 /nfs/dbraw/zinc/92/10/16/502921016.db2.gz OFXPEQHMUJEIJR-PMACEKPBSA-N 2 0 360.546 3.161 20 0 FGADRP C[N@@H+](CC(=O)Nc1ccc(F)cc1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501049506 502922158 /nfs/dbraw/zinc/92/21/58/502922158.db2.gz JSKCLMHUMKMZGQ-UHFFFAOYSA-N 2 0 356.445 3.008 20 0 FGADRP COc1ccc([C@H]([NH2+]CCCN2CC[NH+](C)CC2)c2ccc(F)cc2)cc1 ZINC000501061416 502924725 /nfs/dbraw/zinc/92/47/25/502924725.db2.gz XEIDODZWYQHFOQ-JOCHJYFZSA-N 2 0 371.500 3.151 20 0 FGADRP CC[C@@H]1CCCCN1C(=O)[C@H](C)[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501066123 502926134 /nfs/dbraw/zinc/92/61/34/502926134.db2.gz CTPIUSXMLAMSBN-AZUAARDMSA-N 2 0 372.557 3.409 20 0 FGADRP CC(C)[NH+]1CCN(CCC[N@H+](C)Cc2cccc(Br)c2)CC1 ZINC000501080392 502931351 /nfs/dbraw/zinc/93/13/51/502931351.db2.gz XNXWHXMVSUSWRC-UHFFFAOYSA-N 2 0 368.363 3.297 20 0 FGADRP [NH3+][C@@H](C(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2)c1ccccc1 ZINC000497330718 502932930 /nfs/dbraw/zinc/93/29/30/502932930.db2.gz CNJQCZDAUPJECD-FYYLOGMGSA-N 2 0 363.505 3.201 20 0 FGADRP COc1ccccc1CCC[NH+]1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000505555134 502935157 /nfs/dbraw/zinc/93/51/57/502935157.db2.gz IKCYOUJIOCEXRF-RTBURBONSA-N 2 0 360.542 3.449 20 0 FGADRP CC[C@@H](C)[NH2+][C@H](CNC(=O)N1CCC(CC[NH+](C)C)CC1)c1ccco1 ZINC000509566211 502936263 /nfs/dbraw/zinc/93/62/63/502936263.db2.gz DHHCENVFPWTZSP-SJLPKXTDSA-N 2 0 364.534 3.082 20 0 FGADRP CC[C@H](CNC(=O)NCC[NH+](C(C)C)C(C)C)[N@@H+]1CCc2ccccc2C1 ZINC000501327112 502985085 /nfs/dbraw/zinc/98/50/85/502985085.db2.gz BJTFNNPBKIOWFP-OAQYLSRUSA-N 2 0 374.573 3.241 20 0 FGADRP CC[C@@H](CNC(=O)N(CC[NH+](C)C)CC(C)C)[N@@H+]1CCc2ccccc2C1 ZINC000501377855 502996895 /nfs/dbraw/zinc/99/68/95/502996895.db2.gz SHNCEIHZFONPQS-NRFANRHFSA-N 2 0 374.573 3.053 20 0 FGADRP CC[NH+](CC)[C@H](C(=O)Nc1ccnc(OCC[NH+](C)C)c1)c1ccccc1 ZINC000497713034 503022030 /nfs/dbraw/zinc/02/20/30/503022030.db2.gz KGPPKIYVTWKPLK-FQEVSTJZSA-N 2 0 370.497 3.044 20 0 FGADRP C[C@@H](CNC(=O)NCC1([NH+](C)C)CCCCCC1)[N@@H+]1CCC[C@H](C)C1 ZINC000501518349 503028115 /nfs/dbraw/zinc/02/81/15/503028115.db2.gz SAESUNJCNWCAQK-ROUUACIJSA-N 2 0 352.567 3.061 20 0 FGADRP Fc1ccc(-c2cc(C[NH+]3CCC(CC[NH+]4CCOCC4)CC3)on2)cc1 ZINC000513815957 503028582 /nfs/dbraw/zinc/02/85/82/503028582.db2.gz FEUUQJFKARYTRF-UHFFFAOYSA-N 2 0 373.472 3.415 20 0 FGADRP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000489786368 503034645 /nfs/dbraw/zinc/03/46/45/503034645.db2.gz BGOFNMQLZNANLK-PCCBWWKXSA-N 2 0 372.557 3.023 20 0 FGADRP CN(C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000489794126 503036445 /nfs/dbraw/zinc/03/64/45/503036445.db2.gz SHIYNOGLIPLBBS-NJYVYQBISA-N 2 0 372.557 3.165 20 0 FGADRP CC[NH+](CC)CC1CCN(C(=O)NCCC[N@H+](C)C2CCCCC2)CC1 ZINC000501583924 503044736 /nfs/dbraw/zinc/04/47/36/503044736.db2.gz ZLZCEFFUNLXDAV-UHFFFAOYSA-N 2 0 366.594 3.404 20 0 FGADRP CCC1(CNC(=O)NCC[N@H+](C)C(C)C)CC[NH+](Cc2ccccc2)CC1 ZINC000514003193 503065040 /nfs/dbraw/zinc/06/50/40/503065040.db2.gz IQEVZJYVGWVHGS-UHFFFAOYSA-N 2 0 374.573 3.318 20 0 FGADRP C[C@@H]1C[C@H](C)C[NH+](CCCNC(=O)NCCCC[N@H+]2CCC[C@H](C)C2)C1 ZINC000501773846 503077395 /nfs/dbraw/zinc/07/73/95/503077395.db2.gz DYCKLMGJGKLTKE-SLFFLAALSA-N 2 0 366.594 3.166 20 0 FGADRP C[C@@H]1CCc2ccccc2N1C(=O)C[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000501796284 503081148 /nfs/dbraw/zinc/08/11/48/503081148.db2.gz PHDFOIGRHNDPJW-GOSISDBHSA-N 2 0 357.542 3.408 20 0 FGADRP C[N@@H+]1CCCC[C@H]1CCC(=O)NC[C@@]1(C)CCC[NH+]1Cc1ccccc1 ZINC000506267036 503082078 /nfs/dbraw/zinc/08/20/78/503082078.db2.gz GPCUUEKVBVQQNS-RBBKRZOGSA-N 2 0 357.542 3.422 20 0 FGADRP C[C@@H]1C[NH+](CCCC[NH2+]Cc2ccccc2-c2ccnn2C)C[C@@H](C)O1 ZINC000510275527 503082965 /nfs/dbraw/zinc/08/29/65/503082965.db2.gz ZQGRPMULTURATI-QZTJIDSGSA-N 2 0 356.514 3.066 20 0 FGADRP COCCOc1ccc([C@H](C)[NH2+]C2CCC([NH+](C)C)CC2)cc1OC ZINC000514098837 503087022 /nfs/dbraw/zinc/08/70/22/503087022.db2.gz KBTPEVRQHYSCGZ-ZLPCBKJTSA-N 2 0 350.503 3.244 20 0 FGADRP CC[NH+](CC)CCOc1ccccc1C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000514098159 503087211 /nfs/dbraw/zinc/08/72/11/503087211.db2.gz DRQKDGOYCSJGIU-PWRODBHTSA-N 3 0 359.558 3.370 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)NCC(C)(C)[NH+]1CCCCC1)c1ccco1 ZINC000514153361 503100680 /nfs/dbraw/zinc/10/06/80/503100680.db2.gz FVCYGOLXDPJIRT-QGZVFWFLSA-N 2 0 364.534 3.226 20 0 FGADRP CC[C@@H](C)[NH2+][C@H](CNC(=O)NCC1(C[NH+](C)C)CCCC1)c1ccco1 ZINC000501921140 503109103 /nfs/dbraw/zinc/10/91/03/503109103.db2.gz VOSDBDAWXFNCHY-IAGOWNOFSA-N 2 0 364.534 3.130 20 0 FGADRP c1cc(C[N@@H+]2CCO[C@@H]3CCC[C@@H]32)ccc1C[NH+]1CCO[C@H]2CCC[C@@H]21 ZINC000514193700 503109674 /nfs/dbraw/zinc/10/96/74/503109674.db2.gz GYIBUZSNDBSMOR-MYGLTJDJSA-N 2 0 356.510 3.193 20 0 FGADRP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCC(C)(C)[NH+]2CCCCC2)C1 ZINC000514196678 503109698 /nfs/dbraw/zinc/10/96/98/503109698.db2.gz AHVPPERNFAOIMN-KRWDZBQOSA-N 2 0 352.567 3.061 20 0 FGADRP CC[N@@H+]1C[C@@H](C)N(C(=O)NC2CC[NH+](Cc3ccccc3C)CC2)C[C@@H]1C ZINC000498229279 503136700 /nfs/dbraw/zinc/13/67/00/503136700.db2.gz VRXWGLINKSZJOO-RBUKOAKNSA-N 2 0 372.557 3.084 20 0 FGADRP C[NH+](C)CCOc1ccc(NC(=O)CC[C@H]2CCCC[N@@H+]2C)cc1Cl ZINC000498358038 503166833 /nfs/dbraw/zinc/16/68/33/503166833.db2.gz CRRFXYHAPAKVRO-MRXNPFEDSA-N 2 0 367.921 3.483 20 0 FGADRP C[C@H](C(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1F)[NH+]1CCCCCC1 ZINC000510726979 503180469 /nfs/dbraw/zinc/18/04/69/503180469.db2.gz IXKHDPRLYWGDGE-MRXNPFEDSA-N 2 0 367.484 3.120 20 0 FGADRP C[NH+](C)CCOc1cccc(NC(=O)NCC[N@H+](C)C2CCCCC2)c1 ZINC000502386369 503190847 /nfs/dbraw/zinc/19/08/47/503190847.db2.gz ONBAAHPGUSIETM-UHFFFAOYSA-N 2 0 362.518 3.013 20 0 FGADRP Cc1cnc2cc(C(=O)N3C[C@@H]4C[N@@H+](Cc5ccccc5)CC[C@@H]4C3)ccn12 ZINC000514797363 503195812 /nfs/dbraw/zinc/19/58/12/503195812.db2.gz XKZITLZSWLQELG-RTWAWAEBSA-N 2 0 374.488 3.237 20 0 FGADRP COc1ccc(C[NH+]2CCC(C[NH+](C)C)CC2)cc1OCc1cccnc1 ZINC000506942919 503198319 /nfs/dbraw/zinc/19/83/19/503198319.db2.gz DCVCJOBNLPZMBH-UHFFFAOYSA-N 2 0 369.509 3.443 20 0 FGADRP C[C@@H]([NH3+])C1CCN(C(=O)NC[C@H]2CCCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000514824273 503202088 /nfs/dbraw/zinc/20/20/88/503202088.db2.gz AFXUHLFFTWKTCE-UYAOXDASSA-N 2 0 372.557 3.058 20 0 FGADRP C[C@@H]([NH3+])C1CCN(C(=O)NC[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000514824272 503202460 /nfs/dbraw/zinc/20/24/60/503202460.db2.gz AFXUHLFFTWKTCE-QUCCMNQESA-N 2 0 372.557 3.058 20 0 FGADRP C[NH+](C)[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1)c1cccc(F)c1 ZINC000498597161 503223560 /nfs/dbraw/zinc/22/35/60/503223560.db2.gz DHIBBQNLZCFYQO-SFTDATJTSA-N 2 0 369.484 3.209 20 0 FGADRP C[C@H]1CCC[N@H+](CCCCNC(=O)c2ccccc2CC2CC[NH2+]CC2)C1 ZINC000514939075 503231640 /nfs/dbraw/zinc/23/16/40/503231640.db2.gz KDOKUZOJKXQQGO-IBGZPJMESA-N 2 0 371.569 3.471 20 0 FGADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000502586145 503233159 /nfs/dbraw/zinc/23/31/59/503233159.db2.gz SPXLKGUVHFSZFX-CVEARBPZSA-N 2 0 365.484 3.087 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)NCC[N@H+](C)C1CC1)c1ccccc1Cl ZINC000490898226 503243756 /nfs/dbraw/zinc/24/37/56/503243756.db2.gz QOUROCADAQQRPG-GOSISDBHSA-N 2 0 366.937 3.116 20 0 FGADRP COCC[C@@H]1CCC[C@H]1[NH2+][C@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000502721221 503258389 /nfs/dbraw/zinc/25/83/89/503258389.db2.gz FKTAHFSBSRZVHD-FUHIMQAGSA-N 2 0 363.521 3.433 20 0 FGADRP C[C@@H]1C[N@H+](CCOc2cccc(C(C)(C)C)c2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000491020159 503261513 /nfs/dbraw/zinc/26/15/13/503261513.db2.gz NBHRIFJIGSBZDV-DENIHFKCSA-N 2 0 373.585 3.321 20 0 FGADRP Cc1ccc(C)c(OCCC[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)c1 ZINC000491021624 503262218 /nfs/dbraw/zinc/26/22/18/503262218.db2.gz QHSNKGZXJKKFHN-RTWAWAEBSA-N 2 0 359.558 3.030 20 0 FGADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)NC[C@@H](c1ccco1)[NH+](CC)CC ZINC000502824597 503281581 /nfs/dbraw/zinc/28/15/81/503281581.db2.gz JGMRZXLJEOJDDO-ROUUACIJSA-N 2 0 364.534 3.226 20 0 FGADRP CC(C)CC[NH+]1CCC(CNC(=O)N2C[C@H]([NH+]3CCCC3)C[C@@H]2C)CC1 ZINC000498895142 503285195 /nfs/dbraw/zinc/28/51/95/503285195.db2.gz VXIBZEOUZXGOST-AZUAARDMSA-N 2 0 364.578 3.013 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)NC[C@@H]1CCC[N@H+](CC)C1)c1ccsc1 ZINC000507390728 503291945 /nfs/dbraw/zinc/29/19/45/503291945.db2.gz LRTPQVLKSMFAMO-FUHWJXTLSA-N 2 0 366.575 3.162 20 0 FGADRP CC[N@@H+]1CCC[C@@H](CNC(=O)NC[C@H](c2ccc(C)cc2)[NH+]2CCCC2)C1 ZINC000507393526 503292732 /nfs/dbraw/zinc/29/27/32/503292732.db2.gz XUMWZJWITGVEQF-PZJWPPBQSA-N 2 0 372.557 3.163 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)NCc2ccc(C[NH+](C)C)cc2)C1 ZINC000502878435 503296434 /nfs/dbraw/zinc/29/64/34/503296434.db2.gz ZYFVHESIPGPNQS-KDURUIRLSA-N 2 0 374.573 3.306 20 0 FGADRP CC(=O)N1CC[C@H]([NH2+]Cc2ccc(C[NH+](C)C)cc2)c2ccccc2C1 ZINC000491340963 503298533 /nfs/dbraw/zinc/29/85/33/503298533.db2.gz BFBYQLGUXAHMAX-QFIPXVFZSA-N 2 0 351.494 3.331 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCc2cc(F)c(F)c(F)c2)[C@H](C)C1 ZINC000507443272 503300103 /nfs/dbraw/zinc/30/01/03/503300103.db2.gz QPNTZFFLEZUTDI-KDOFPFPSSA-N 2 0 358.448 3.373 20 0 FGADRP C[C@H](C[NH+]1CCCCC1)NC(=O)NCC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC000502916179 503307699 /nfs/dbraw/zinc/30/76/99/503307699.db2.gz DPIJKMFAUMMVJZ-QZTJIDSGSA-N 2 0 360.546 3.289 20 0 FGADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)NCC[N@@H+]1CCC[C@@H](C)C1)c1ccccc1 ZINC000502943020 503312200 /nfs/dbraw/zinc/31/22/00/503312200.db2.gz YJORUQUKKHVRPM-QZTJIDSGSA-N 2 0 360.546 3.147 20 0 FGADRP c1cc(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)c2c(c1)OCCCO2 ZINC000507708518 503352730 /nfs/dbraw/zinc/35/27/30/503352730.db2.gz MYJGFCICBXLPOH-UHFFFAOYSA-N 2 0 374.525 3.172 20 0 FGADRP CC[C@@H]1C[C@H](C[N@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)CCO1 ZINC000507814996 503372140 /nfs/dbraw/zinc/37/21/40/503372140.db2.gz NQNFTAJGMQUNLC-IFMALSPDSA-N 2 0 365.606 3.320 20 0 FGADRP C[NH+](C)CC1CCC([NH2+]C[C@@H](O)Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000515637720 503377339 /nfs/dbraw/zinc/37/73/39/503377339.db2.gz CYDWWVYKVYGDLA-VJFUWPCTSA-N 2 0 358.448 3.319 20 0 FGADRP C[C@@H](C(=O)N1CCC([NH+]2CCc3ccccc3C2)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000511920600 503415839 /nfs/dbraw/zinc/41/58/39/503415839.db2.gz XXIHFGMMXJTLLN-OTWHNJEPSA-N 2 0 369.553 3.297 20 0 FGADRP O[C@@H]1CC[N@H+](Cc2ccccc2C[NH2+]C/C=C/c2ccc(F)c(F)c2)C1 ZINC000511929251 503417850 /nfs/dbraw/zinc/41/78/50/503417850.db2.gz ZJPSEACYZWIMKX-GNAXCBTBSA-N 2 0 358.432 3.334 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1oc2ccccc2c1C ZINC000499510448 503422045 /nfs/dbraw/zinc/42/20/45/503422045.db2.gz VPJCWPCFIARXNY-KRWDZBQOSA-N 2 0 357.498 3.229 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Cc1cccc2ccccc21 ZINC000499520792 503423956 /nfs/dbraw/zinc/42/39/56/503423956.db2.gz MORFRHWDJDXOGR-NRFANRHFSA-N 2 0 367.537 3.257 20 0 FGADRP CC1CC[NH+]([C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C2CC2)c2cccs2)CC1 ZINC000493676764 503439586 /nfs/dbraw/zinc/43/95/86/503439586.db2.gz IZIXYUZHTPXUCP-ZWKOTPCHSA-N 2 0 361.555 3.264 20 0 FGADRP CC[NH+](CC)CCOc1ccc(C(=O)N[C@@H](C)C[NH+]2CCCCC2)cc1 ZINC000493863618 503450812 /nfs/dbraw/zinc/45/08/12/503450812.db2.gz HQPBFHQMAZDBEH-SFHVURJKSA-N 2 0 361.530 3.011 20 0 FGADRP CN1C(=O)C[C@@H](NCCC[NH+]2CCCCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000493887562 503453025 /nfs/dbraw/zinc/45/30/25/503453025.db2.gz FTJPTUIZFKXWIT-IEBWSBKVSA-N 2 0 367.896 3.217 20 0 FGADRP CO[C@@H](c1ccccc1)[C@@H](C)[NH2+]CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000493910056 503456767 /nfs/dbraw/zinc/45/67/67/503456767.db2.gz YJLBXQAAODKZQM-NFBKMPQASA-N 2 0 367.537 3.170 20 0 FGADRP C[NH+](C)CCOc1ccccc1C[NH2+]C1CC(OCc2ccccc2)C1 ZINC000493967104 503467426 /nfs/dbraw/zinc/46/74/26/503467426.db2.gz FCJSFLSSXMFJIH-UHFFFAOYSA-N 2 0 354.494 3.464 20 0 FGADRP C[C@@H]1C[C@H](CC[NH2+][C@H](C(N)=O)c2ccc(F)cc2)C[N@@H+]1Cc1ccccc1 ZINC000512289941 503510676 /nfs/dbraw/zinc/51/06/76/503510676.db2.gz QUSNGGLTQGBTOG-MMOPVJDHSA-N 2 0 369.484 3.242 20 0 FGADRP C[NH2+]CCC1CC[NH+](CCCc2nc(-c3ccc(C)c(F)c3)no2)CC1 ZINC000516469608 503515776 /nfs/dbraw/zinc/51/57/76/503515776.db2.gz BUIMQULYTANCQF-UHFFFAOYSA-N 2 0 360.477 3.438 20 0 FGADRP CCC[NH+]1CCN(c2ccccc2C[NH+]2CCC(c3ncc[nH]3)CC2)CC1 ZINC000512389594 503534545 /nfs/dbraw/zinc/53/45/45/503534545.db2.gz OLVZMIODJHPMTQ-UHFFFAOYSA-N 2 0 367.541 3.321 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)NC[C@H](C)C[NH+]1CCCCC1)c1ccccc1 ZINC000516565574 503538152 /nfs/dbraw/zinc/53/81/52/503538152.db2.gz MGYUWSZIVBIADB-PZJWPPBQSA-N 2 0 374.573 3.491 20 0 FGADRP C[NH+](C)CCOC1CC[NH+](Cc2cccc(C(=O)OC(C)(C)C)c2)CC1 ZINC000500128184 503560455 /nfs/dbraw/zinc/56/04/55/503560455.db2.gz ZBIZJPHCBAVLRL-UHFFFAOYSA-N 2 0 362.514 3.185 20 0 FGADRP CC[NH+](CC)Cc1cccc(CNC(=O)N[C@H](C)C[NH+]2CCCCC2)c1 ZINC000500131613 503561306 /nfs/dbraw/zinc/56/13/06/503561306.db2.gz IRBNMDAKJWQVKN-GOSISDBHSA-N 2 0 360.546 3.202 20 0 FGADRP C[NH+](C)C1(CNC(=O)NCc2cccc(C[NH+]3CCCC3)c2)CCCCC1 ZINC000500155911 503566247 /nfs/dbraw/zinc/56/62/47/503566247.db2.gz BZWQPNTZVIVNGH-UHFFFAOYSA-N 2 0 372.557 3.346 20 0 FGADRP FC(F)(F)c1cccc(CCCC[N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)c1 ZINC000504424988 503572300 /nfs/dbraw/zinc/57/23/00/503572300.db2.gz VZCMDXBEYPBWTO-GOSISDBHSA-N 2 0 355.448 3.008 20 0 FGADRP CC[N@@H+]1CCC[C@H](CNC(=O)N[C@H](C)[C@@H](c2ccccc2C)[NH+](C)C)C1 ZINC000494604671 503573125 /nfs/dbraw/zinc/57/31/25/503573125.db2.gz YPUWKAVCJAKJLF-GGPKGHCWSA-N 2 0 360.546 3.017 20 0 FGADRP C[C@H](NC(=O)NCCC[NH2+]C1CCCCC1)[C@@H](c1ccccc1)[NH+](C)C ZINC000508851446 503577339 /nfs/dbraw/zinc/57/73/39/503577339.db2.gz HHODYFOYFUMZDW-PXNSSMCTSA-N 2 0 360.546 3.289 20 0 FGADRP O[C@H](C[NH2+]CCCC[NH+]1CCN(c2ccccc2)CC1)CC1CCCC1 ZINC000516762023 503582237 /nfs/dbraw/zinc/58/22/37/503582237.db2.gz RLGFZDPDTUYMKH-QFIPXVFZSA-N 2 0 359.558 3.120 20 0 FGADRP Cc1ccccc1[C@H]([C@@H](C)NC(=O)NCCC1CC[NH+](C)CC1)[NH+](C)C ZINC000494699080 503594807 /nfs/dbraw/zinc/59/48/07/503594807.db2.gz YVYQEIFSKNCKGI-XLIONFOSSA-N 2 0 360.546 3.017 20 0 FGADRP c1nnc(C2CC2)n1CC[NH2+][C@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000512670798 503608852 /nfs/dbraw/zinc/60/88/52/503608852.db2.gz BHWDUBYMJNSLDZ-ACRUOGEOSA-N 2 0 365.525 3.046 20 0 FGADRP CC(C)C[C@@H](C[NH+](C)C)NC(=O)NCC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC000504779927 503614490 /nfs/dbraw/zinc/61/44/90/503614490.db2.gz WJIONJRSUMEGIU-FQEVSTJZSA-N 2 0 374.573 3.099 20 0 FGADRP CC[C@H]1CN(C(=O)CC[C@H]2CCCC[NH+]2C)CC[N@@H+]1Cc1ccccc1 ZINC000504805866 503617928 /nfs/dbraw/zinc/61/79/28/503617928.db2.gz WYTILIKLSLACBI-LEWJYISDSA-N 2 0 357.542 3.374 20 0 FGADRP Fc1cc(C[NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)ccc1Oc1cccnc1 ZINC000516921235 503619928 /nfs/dbraw/zinc/61/99/28/503619928.db2.gz ULUBKSPNHOIVNI-YZGWKJHDSA-N 2 0 371.456 3.260 20 0 FGADRP CN1CCC([NH+]2CCC(CC[N@H+](C)C/C=C\c3ccncc3)CC2)CC1 ZINC000494975815 503644142 /nfs/dbraw/zinc/64/41/42/503644142.db2.gz KUFLHWKBMFDXKJ-ARJAWSKDSA-N 2 0 356.558 3.223 20 0 FGADRP C[C@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@H+](C)C[C@@H]1CC=CCC1 ZINC000543173327 503659825 /nfs/dbraw/zinc/65/98/25/503659825.db2.gz QZFMTFZLLCPGRK-SBHAEUEKSA-N 2 0 355.526 3.054 20 0 FGADRP C[C@@H](C[NH2+]Cc1ccc(CN2CC[NH+](C)CC2)cc1)c1ccc(F)cc1 ZINC000527116703 503686321 /nfs/dbraw/zinc/68/63/21/503686321.db2.gz PLLWIZWCPPGNPB-SFHVURJKSA-N 2 0 355.501 3.466 20 0 FGADRP COCC[N@H+](C)CCC[NH2+][C@@H](c1ccc(Br)cc1)C1CC1 ZINC000540260313 503726412 /nfs/dbraw/zinc/72/64/12/503726412.db2.gz ACIZWFSULVWQBL-QGZVFWFLSA-N 2 0 355.320 3.458 20 0 FGADRP CC(C)[N@@H+]1CC[C@@H](CNC(=O)NC2CCC([NH+]3CCC(C)CC3)CC2)C1 ZINC000533107066 503733450 /nfs/dbraw/zinc/73/34/50/503733450.db2.gz AVSNAVOWMSOLRE-HDYDNRTBSA-N 2 0 364.578 3.059 20 0 FGADRP C[C@@H](CCNC(=O)NCCC[N@H+](C)C1CCCCC1)[NH+]1CCCCC1 ZINC000543351732 503735400 /nfs/dbraw/zinc/73/54/00/503735400.db2.gz KQTIQDKGMFJJBK-SFHVURJKSA-N 2 0 352.567 3.205 20 0 FGADRP CCc1ccc(C[NH+]2CCC(C(=O)NCCC[NH+](CC)CC)CC2)s1 ZINC000517439257 503746794 /nfs/dbraw/zinc/74/67/94/503746794.db2.gz VLVWBKZACHFZEY-UHFFFAOYSA-N 2 0 365.587 3.371 20 0 FGADRP C[C@H]([NH2+]CC[C@H]1CCC[N@@H+]1C)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000540388948 503756528 /nfs/dbraw/zinc/75/65/28/503756528.db2.gz XQBADYLEJQQQKY-OXJNMPFZSA-N 2 0 352.482 3.469 20 0 FGADRP COc1cc(Br)ccc1CCC[NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000543418287 503762217 /nfs/dbraw/zinc/76/22/17/503762217.db2.gz RZHCQVPREJWVGZ-XJKSGUPXSA-N 2 0 355.320 3.320 20 0 FGADRP CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000517536911 503765920 /nfs/dbraw/zinc/76/59/20/503765920.db2.gz ZZQBGGSLUGOFBF-INIZCTEOSA-N 2 0 362.493 3.103 20 0 FGADRP C[C@H]([NH2+]CCCn1c2ccccc2[nH]c1=O)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000543458984 503780537 /nfs/dbraw/zinc/78/05/37/503780537.db2.gz MOXOAXSVILINGN-DLBZAZTESA-N 2 0 356.514 3.375 20 0 FGADRP CCN1CCCC[C@H]1C[NH2+][C@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21 ZINC000537193309 503835699 /nfs/dbraw/zinc/83/56/99/503835699.db2.gz BAYHYPRXKDHPPA-ICSRJNTNSA-N 2 0 357.542 3.439 20 0 FGADRP C[NH+]1CCC2(CC1)C[C@@H]([NH2+]CCOCC(F)(F)F)c1ccccc1O2 ZINC000537192955 503836055 /nfs/dbraw/zinc/83/60/55/503836055.db2.gz IGIYEBLYGFVKBS-OAHLLOKOSA-N 2 0 358.404 3.143 20 0 FGADRP Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCC(C)CC1)CC3 ZINC000543702445 503858903 /nfs/dbraw/zinc/85/89/03/503858903.db2.gz AXIUEUGTYOEJPT-ROUUACIJSA-N 2 0 355.526 3.016 20 0 FGADRP C[C@H]1C[C@H](NC(=O)CCN(C)c2cc[nH+]cc2)CC[N@@H+]1Cc1ccccc1 ZINC000543713759 503863301 /nfs/dbraw/zinc/86/33/01/503863301.db2.gz UTBKTEZWQLGFAU-AZUAARDMSA-N 2 0 366.509 3.077 20 0 FGADRP CCO[C@@H]1C[C@H]([NH2+][C@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)C1(C)C ZINC000537296650 503872591 /nfs/dbraw/zinc/87/25/91/503872591.db2.gz VGCAUHJXQIBIGI-UIAACRFSSA-N 2 0 363.521 3.432 20 0 FGADRP CC[N@H+](CC(=O)NCc1ccc(C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1)C1CC1 ZINC000533527632 503876626 /nfs/dbraw/zinc/87/66/26/503876626.db2.gz ZWRJMSGBXSFNQZ-QZTJIDSGSA-N 2 0 357.542 3.265 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1)c1ccccc1 ZINC000518011103 503888274 /nfs/dbraw/zinc/88/82/74/503888274.db2.gz DOOCZCUSAHKDQU-FPOVZHCZSA-N 2 0 372.557 3.386 20 0 FGADRP Clc1ccc(OCC[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)c(Cl)c1 ZINC000530240039 503889153 /nfs/dbraw/zinc/88/91/53/503889153.db2.gz WTKMFSRBKIAXMS-INIZCTEOSA-N 2 0 373.324 3.463 20 0 FGADRP Brc1ccsc1C[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530240615 503889330 /nfs/dbraw/zinc/88/93/30/503889330.db2.gz MFDLLLCUANJAMG-ZDUSSCGKSA-N 2 0 359.333 3.101 20 0 FGADRP Fc1ccc(-c2nc(C[NH+]3CCC(CO[C@H]4CC[NH2+]C4)CC3)co2)cc1 ZINC000530239894 503890016 /nfs/dbraw/zinc/89/00/16/503890016.db2.gz IFSIZYLQBMAFAI-IBGZPJMESA-N 2 0 359.445 3.071 20 0 FGADRP COc1cccc([C@H](C[NH2+]Cc2cn(-c3cc[nH+]cc3)nc2C)OC)c1 ZINC000527735228 503920728 /nfs/dbraw/zinc/92/07/28/503920728.db2.gz HRZGBRLKGTUYRD-FQEVSTJZSA-N 2 0 352.438 3.062 20 0 FGADRP Cc1cc(NC(=O)N[C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)c(C)cn1 ZINC000540913519 503936641 /nfs/dbraw/zinc/93/66/41/503936641.db2.gz SSNHUYWLFRSNHQ-HKUYNNGSSA-N 2 0 352.482 3.152 20 0 FGADRP C[C@@H]1Cc2ccc(F)cc2[C@H]1[NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000540991594 503967797 /nfs/dbraw/zinc/96/77/97/503967797.db2.gz HMXMOEKJIDKPHI-PDXHDDNESA-N 2 0 354.469 3.415 20 0 FGADRP COc1cc2c(cc1C[NH+]1CCC(OCC[NH+]3CCCC3)CC1)O[C@H](C)C2 ZINC000537620633 503978342 /nfs/dbraw/zinc/97/83/42/503978342.db2.gz VPHUJCRNTZDUQA-QGZVFWFLSA-N 2 0 374.525 3.095 20 0 FGADRP C[C@H](NCCC[N@@H+]1CCCO[C@H](C)C1)c1cc(-c2ccccc2)n(C)n1 ZINC000527892823 503987781 /nfs/dbraw/zinc/98/77/81/503987781.db2.gz BJFGOXRAEJBNMR-MSOLQXFVSA-N 2 0 356.514 3.239 20 0 FGADRP CC(C)c1cccc([C@@H](C)[NH2+]CC2(N3CCOCC3)CC[NH+](C)CC2)c1 ZINC000527907981 503994009 /nfs/dbraw/zinc/99/40/09/503994009.db2.gz JLRFJLSJVLCLBY-LJQANCHMSA-N 2 0 359.558 3.257 20 0 FGADRP C[C@@H]1C[NH+](CC2CC[NH+](C[C@@H]3CCC4(CCCC4)O3)CC2)C[C@@H](C)O1 ZINC000530516656 503995842 /nfs/dbraw/zinc/99/58/42/503995842.db2.gz GXGORJJQGOZYRO-GGPKGHCWSA-N 2 0 350.547 3.299 20 0 FGADRP C[C@@H]([NH2+]C[C@H]1c2ccccc2C(=O)N1C)c1ccc(OCC[NH+](C)C)cc1 ZINC000528002308 504034031 /nfs/dbraw/zinc/03/40/31/504034031.db2.gz IJRPQVWWGGPNMJ-IERDGZPVSA-N 2 0 367.493 3.105 20 0 FGADRP COc1ccc([C@@H](CCn2cncn2)[NH2+]C[C@H]2CCN2C2CCCC2)cc1 ZINC000528001615 504034300 /nfs/dbraw/zinc/03/43/00/504034300.db2.gz MJBQPPGCBHEUJW-TZIWHRDSSA-N 2 0 369.513 3.025 20 0 FGADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)Cc1coc2ccc3ccccc3c12 ZINC000530642115 504036213 /nfs/dbraw/zinc/03/62/13/504036213.db2.gz OPCVXGUGLIYTJN-UHFFFAOYSA-N 2 0 367.493 3.080 20 0 FGADRP C[C@H](CCNC(=O)NCCC[N@H+](C)Cc1ccccc1)[NH+]1CCCCC1 ZINC000544252711 504061292 /nfs/dbraw/zinc/06/12/92/504061292.db2.gz DMLBSJYOJYDQSA-LJQANCHMSA-N 2 0 360.546 3.072 20 0 FGADRP CC[N@H+](CCC1CC[NH+](CC(=O)N2C[C@H](C)C[C@H](C)C2)CC1)CC1CC1 ZINC000537849809 504064548 /nfs/dbraw/zinc/06/45/48/504064548.db2.gz SUVYLCOBDDJUCN-KDURUIRLSA-N 2 0 363.590 3.325 20 0 FGADRP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)NC[C@@H]2CC[NH+]2C2CCCCC2)C1 ZINC000528146439 504091038 /nfs/dbraw/zinc/09/10/38/504091038.db2.gz ACVZEHILZHBQMI-ICSRJNTNSA-N 2 0 364.578 3.061 20 0 FGADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NC[C@H](c1ccccc1Cl)N1CCCC1 ZINC000530805283 504091829 /nfs/dbraw/zinc/09/18/29/504091829.db2.gz XQYNMCKUHWEXKY-JTDSTZFVSA-N 2 0 363.933 3.466 20 0 FGADRP O=C(NC[C@@H]1CC[N@@H+]1C1CCCCC1)N1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000528151416 504093937 /nfs/dbraw/zinc/09/39/37/504093937.db2.gz ZGOJASSHBBCQKP-QMMLZNLJSA-N 2 0 374.573 3.052 20 0 FGADRP CC[C@@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)c1cccc(OC)c1 ZINC000537973409 504099478 /nfs/dbraw/zinc/09/94/78/504099478.db2.gz JSLXEEMMTOZNIX-OAQYLSRUSA-N 2 0 369.509 3.228 20 0 FGADRP CC[NH+](CC)[C@@H](C(=O)NC1CC[NH+](C)CC1)c1cccc(C(F)(F)F)c1 ZINC000530831538 504099837 /nfs/dbraw/zinc/09/98/37/504099837.db2.gz ARDNLIJXSKGASF-QGZVFWFLSA-N 2 0 371.447 3.299 20 0 FGADRP C[NH+](C)CCCN(CCC[NH+](C)C)c1ncc(C(F)(F)F)cc1Cl ZINC000530886880 504118645 /nfs/dbraw/zinc/11/86/45/504118645.db2.gz OLTORFTWBWPHQC-UHFFFAOYSA-N 2 0 366.859 3.464 20 0 FGADRP CO[C@@]1(C)CCC[NH+](Cc2cncc(C[N@H+]3CCC[C@](C)(OC)C3)c2)C1 ZINC000519078865 504134950 /nfs/dbraw/zinc/13/49/50/504134950.db2.gz RHSSETFADXMQDA-SFTDATJTSA-N 2 0 361.530 3.083 20 0 FGADRP C[N@H+](CCCNC(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1)C1CCCCC1 ZINC000534474165 504151756 /nfs/dbraw/zinc/15/17/56/504151756.db2.gz AITJRJBATWBDNT-IBGZPJMESA-N 2 0 364.578 3.014 20 0 FGADRP C[C@@H]1C[NH+](CCOc2ccc(CC[NH2+][C@@H]3CCO[C@H](C)C3)cc2)C[C@H]1C ZINC000538196790 504158889 /nfs/dbraw/zinc/15/88/89/504158889.db2.gz ALLGUYLADBIEJQ-ANTGDGSKSA-N 2 0 360.542 3.353 20 0 FGADRP C[NH+](C)Cc1cccc(C(=O)NC[C@H](c2ccc(Cl)cc2)[NH+](C)C)c1 ZINC000531067605 504177262 /nfs/dbraw/zinc/17/72/62/504177262.db2.gz AVVHOOAEWUDKNY-LJQANCHMSA-N 2 0 359.901 3.434 20 0 FGADRP Cc1ccccc1CN(C)C(=O)[C@H](C)[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000531107703 504191892 /nfs/dbraw/zinc/19/18/92/504191892.db2.gz IJISMRQRBWXEIG-IBGZPJMESA-N 2 0 359.558 3.394 20 0 FGADRP CC(C)[C@@H](CNC(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1)[NH+]1CCC(C)CC1 ZINC000544622095 504194440 /nfs/dbraw/zinc/19/44/40/504194440.db2.gz RVZAEAHCJFHYIJ-AZUAARDMSA-N 2 0 366.594 3.115 20 0 FGADRP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)NCCCC[N@@H+]1CCCC[C@H]1C ZINC000544622278 504194888 /nfs/dbraw/zinc/19/48/88/504194888.db2.gz WJUPOWAGKKIZRM-QZTJIDSGSA-N 2 0 352.567 3.013 20 0 FGADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)[C@@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 ZINC000531118832 504195719 /nfs/dbraw/zinc/19/57/19/504195719.db2.gz COHCLOYXGMNYRF-IAGOWNOFSA-N 2 0 372.340 3.049 20 0 FGADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H](O)COCc2ccccc2Cl)C[C@H]1C ZINC000531139521 504202801 /nfs/dbraw/zinc/20/28/01/504202801.db2.gz CBLKDEFQCJWYFC-BPQIPLTHSA-N 2 0 354.922 3.022 20 0 FGADRP Cc1cc(NC(=O)CC[N@@H+](C)C2CCCCC2)n(C2CC[NH+](C)CC2)n1 ZINC000547733502 504204248 /nfs/dbraw/zinc/20/42/48/504204248.db2.gz IUDKRGNAORYIBU-UHFFFAOYSA-N 2 0 361.534 3.051 20 0 FGADRP O=C(NCC[N@@H+]1CCc2ccccc2C1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000547754804 504213187 /nfs/dbraw/zinc/21/31/87/504213187.db2.gz JGXQUUYRLAAIJD-UHFFFAOYSA-N 2 0 363.505 3.071 20 0 FGADRP Cc1cc(NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)n(C2CC[NH+](C)CC2)n1 ZINC000531190525 504220259 /nfs/dbraw/zinc/22/02/59/504220259.db2.gz HRGTTYNILNNVEE-QGZVFWFLSA-N 2 0 373.545 3.051 20 0 FGADRP CC(C)[N@@H+]1CC[C@H](CNC(=O)N[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000531191187 504221086 /nfs/dbraw/zinc/22/10/86/504221086.db2.gz DGXZTBQTHSRZQY-HMXCVIKNSA-N 2 0 372.557 3.069 20 0 FGADRP Cc1ccc([C@H]2CC[N@@H+](CC(=O)NC[C@H](c3ccccc3)[NH+](C)C)C2)cc1 ZINC000547787243 504225552 /nfs/dbraw/zinc/22/55/52/504225552.db2.gz RGBZATISTNPKFX-FCHUYYIVSA-N 2 0 365.521 3.203 20 0 FGADRP C[NH+](C)CC1(CNC(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)CCCC1 ZINC000544799507 504263044 /nfs/dbraw/zinc/26/30/44/504263044.db2.gz LHIDVSXJEUANIW-HXUWFJFHSA-N 2 0 372.557 3.245 20 0 FGADRP O=C(C[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1)NC1CCCC1 ZINC000534964976 504296169 /nfs/dbraw/zinc/29/61/69/504296169.db2.gz HGPYJSDUECIIBR-UHFFFAOYSA-N 2 0 355.526 3.033 20 0 FGADRP OC[C@]1([NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)COc2ccccc2C1 ZINC000528646633 504312080 /nfs/dbraw/zinc/31/20/80/504312080.db2.gz UVKCLCQNVQFKAY-QHCPKHFHSA-N 2 0 366.505 3.128 20 0 FGADRP CCC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N(C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000528652062 504313506 /nfs/dbraw/zinc/31/35/06/504313506.db2.gz RYZFEAMOIKQBSE-BDKRGJGYSA-N 2 0 371.569 3.476 20 0 FGADRP C[C@H]([NH2+]CCCC[NH+]1CCN(CCO)CC1)c1ccccc1C(C)(C)C ZINC000535086406 504338974 /nfs/dbraw/zinc/33/89/74/504338974.db2.gz AZYOTBVGZJTRQA-IBGZPJMESA-N 2 0 361.574 3.025 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)N1CCC[NH+](C(C)(C)C)CC1 ZINC000545204704 504394657 /nfs/dbraw/zinc/39/46/57/504394657.db2.gz DQWCMVONBHMIGE-UYAOXDASSA-N 2 0 372.557 3.023 20 0 FGADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCNc1ncc(C(F)(F)F)cc1Cl ZINC000531723895 504404774 /nfs/dbraw/zinc/40/47/74/504404774.db2.gz RDYYEUNVSRQPNF-SUNKGSAMSA-N 2 0 364.843 3.484 20 0 FGADRP CN(C(=O)[C@H]1CCCC12CC2)[C@@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000528892678 504437110 /nfs/dbraw/zinc/43/71/10/504437110.db2.gz IDJSKCNZIBWEFO-VAMGGRTRSA-N 2 0 361.574 3.362 20 0 FGADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@H](CO)Cc1ccc(C(F)(F)F)cc1 ZINC000539057776 504460377 /nfs/dbraw/zinc/46/03/77/504460377.db2.gz DCAWLJADMYTXBS-GZOSKZMVSA-N 2 0 358.448 3.175 20 0 FGADRP C[C@H]([NH2+]CCC(=O)NCc1ccccc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000548483287 504461925 /nfs/dbraw/zinc/46/19/25/504461925.db2.gz WAGWAPPDUDMGKI-SIKLNZKXSA-N 2 0 365.521 3.193 20 0 FGADRP CC(C)[N@@H+]1CC[C@H](CNC(=O)[C@@H](C)[NH+]2CCC(Cc3ccccc3)CC2)C1 ZINC000520339355 504470808 /nfs/dbraw/zinc/47/08/08/504470808.db2.gz QSUNDWAWWBQFAE-DENIHFKCSA-N 2 0 371.569 3.176 20 0 FGADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCC[NH+](Cc2cccc(F)c2)C1 ZINC000520346870 504473946 /nfs/dbraw/zinc/47/39/46/504473946.db2.gz FSLWHKPDVWRCNT-AZUAARDMSA-N 2 0 361.505 3.028 20 0 FGADRP C[NH+](C)CCCOc1ccc(NC(=O)NC[C@@H]2CC[N@@H+]2C2CCCC2)cc1 ZINC000528971780 504475458 /nfs/dbraw/zinc/47/54/58/504475458.db2.gz SHXCLFUYHCKMMY-IBGZPJMESA-N 2 0 374.529 3.156 20 0 FGADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H](C)c2sccc2Br)CC1 ZINC000531947530 504483146 /nfs/dbraw/zinc/48/31/46/504483146.db2.gz VXADBXXQRRAEIO-STQMWFEESA-N 2 0 360.365 3.187 20 0 FGADRP CC[N@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)Cc1ccc2ccccc2c1 ZINC000520386931 504486386 /nfs/dbraw/zinc/48/63/86/504486386.db2.gz KLXJWWYTMYVTKT-UHFFFAOYSA-N 2 0 365.521 3.405 20 0 FGADRP OC1(C(F)(F)F)CCC([NH2+]C[C@H]2CC[N@H+](CCc3ccccc3)C2)CC1 ZINC000531960795 504487897 /nfs/dbraw/zinc/48/78/97/504487897.db2.gz RPUHYCBBPPYAPJ-LMDPOFIKSA-N 2 0 370.459 3.377 20 0 FGADRP C[C@H](CCNC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1)[NH+]1CCCCC1 ZINC000542451782 504495477 /nfs/dbraw/zinc/49/54/77/504495477.db2.gz ORQMIQRSCKIAAK-TZIWHRDSSA-N 2 0 357.542 3.279 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H](O)CCc1ccccc1 ZINC000542487444 504510402 /nfs/dbraw/zinc/51/04/02/504510402.db2.gz XZOMGEWZXRFVBO-OIBXWCBGSA-N 2 0 352.522 3.480 20 0 FGADRP C[C@@H](CCC(C)(C)C)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000542619900 504556281 /nfs/dbraw/zinc/55/62/81/504556281.db2.gz XGXYAISHJFPIDD-SFHVURJKSA-N 2 0 360.546 3.172 20 0 FGADRP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H](C)c3ccc(C)cc3OC)cn2)CC1 ZINC000532192427 504568083 /nfs/dbraw/zinc/56/80/83/504568083.db2.gz VVJWFOFXCKTFLI-SFHVURJKSA-N 2 0 368.525 3.391 20 0 FGADRP COc1c(C)cc(C[NH+]2CCC(C)(C[NH+]3CCN(C)CC3)CC2)cc1C ZINC000542694638 504578558 /nfs/dbraw/zinc/57/85/58/504578558.db2.gz ZIUMTQODUVTJSU-UHFFFAOYSA-N 2 0 359.558 3.162 20 0 FGADRP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000520782533 504580456 /nfs/dbraw/zinc/58/04/56/504580456.db2.gz SVTUTAUASGLRNM-ZVDOUQERSA-N 2 0 372.557 3.386 20 0 FGADRP CC1CC[NH+]([C@H](CNC(=O)NCC2=CC[N@H+](C)CC2)c2ccccc2)CC1 ZINC000539485543 504586245 /nfs/dbraw/zinc/58/62/45/504586245.db2.gz GIKOCQNTGWHQCL-OAQYLSRUSA-N 2 0 370.541 3.021 20 0 FGADRP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N(C)[C@@H](C)C2CC[NH+](C)CC2)C1 ZINC000542747283 504594434 /nfs/dbraw/zinc/59/44/34/504594434.db2.gz ZIPSYKIMASEBOM-ROUUACIJSA-N 2 0 366.594 3.259 20 0 FGADRP CCC[NH+]1CCN(c2ccccc2C[NH2+]CC2([C@H](C)CCO)CCC2)CC1 ZINC000539548085 504604764 /nfs/dbraw/zinc/60/47/64/504604764.db2.gz XCOJZNNIICGJFO-HXUWFJFHSA-N 2 0 373.585 3.497 20 0 FGADRP CCn1ccnc1C[NH2+]C[C@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000539564916 504610297 /nfs/dbraw/zinc/61/02/97/504610297.db2.gz CKXKVEOTKQDRQL-KDOFPFPSSA-N 2 0 350.869 3.478 20 0 FGADRP C[C@H]([NH2+]C[C@@H]1COc2ccccc2O1)c1cccc(OCC[NH+](C)C)c1 ZINC000539609772 504624341 /nfs/dbraw/zinc/62/43/41/504624341.db2.gz MNHUUSPDQUABLX-QFBILLFUSA-N 2 0 356.466 3.118 20 0 FGADRP O=C(NCc1ccc(C[NH+]2CCCCCC2)cc1)N[C@H]1CC[NH2+]C12CCC2 ZINC000529298456 504625813 /nfs/dbraw/zinc/62/58/13/504625813.db2.gz HRZLSJFBHKCOFT-FQEVSTJZSA-N 2 0 370.541 3.146 20 0 FGADRP CCO[C@@H]1C[C@@H]([NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H]2CO)C12CCCC2 ZINC000542849807 504633302 /nfs/dbraw/zinc/63/33/02/504633302.db2.gz SFHCEMNKNSZSEF-YPAWHYETSA-N 2 0 372.553 3.471 20 0 FGADRP CC[N@@H+]1CCCC[C@@H]1CNCc1c(Cl)cccc1N1CC[NH+](C)CC1 ZINC000536131133 504641826 /nfs/dbraw/zinc/64/18/26/504641826.db2.gz ZAWGVKPONJOZJM-QGZVFWFLSA-N 2 0 364.965 3.056 20 0 FGADRP CCC[C@H]([NH2+][C@@H]1CCC[C@H]([NH3+])C1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000521068379 504642034 /nfs/dbraw/zinc/64/20/34/504642034.db2.gz WUDLPUVWYYLVGB-QKLQHJQFSA-N 2 0 358.530 3.254 20 0 FGADRP CC[N@@H+]1CCCC[C@H]1CNCc1c(Cl)cccc1N1CC[NH+](C)CC1 ZINC000536131129 504642380 /nfs/dbraw/zinc/64/23/80/504642380.db2.gz ZAWGVKPONJOZJM-KRWDZBQOSA-N 2 0 364.965 3.056 20 0 FGADRP COc1ccc([C@@H](C)[NH2+][C@@H](CN2CC[NH+](C)CC2)c2ccccc2)cc1 ZINC000532497196 504670765 /nfs/dbraw/zinc/67/07/65/504670765.db2.gz JOBRWJCZKAAGNC-GCJKJVERSA-N 2 0 353.510 3.335 20 0 FGADRP CC[NH+](CC)CCCC1CCN(C(=O)NCC[NH+]2CCC(C)CC2)CC1 ZINC000542983786 504683910 /nfs/dbraw/zinc/68/39/10/504683910.db2.gz DACWQPASDWECGA-UHFFFAOYSA-N 2 0 366.594 3.262 20 0 FGADRP C[C@@H]([NH2+]CCN1CCC([NH+](C)C)CC1)c1sccc1Br ZINC000532549364 504689568 /nfs/dbraw/zinc/68/95/68/504689568.db2.gz XLHSUDHTVKDEAT-GFCCVEGCSA-N 2 0 360.365 3.187 20 0 FGADRP C[C@@H]1C[N@@H+](CCCC[NH2+]Cc2cc(Cl)cc3c2OCC3)C[C@H](C)O1 ZINC000543062318 504708830 /nfs/dbraw/zinc/70/88/30/504708830.db2.gz CJSMUXPUQFPKFG-GASCZTMLSA-N 2 0 352.906 3.254 20 0 FGADRP CC(C)[NH+]1CCC([NH2+]C[C@H](CO)Cc2ccccc2C(F)(F)F)CC1 ZINC000543090093 504720805 /nfs/dbraw/zinc/72/08/05/504720805.db2.gz PHAHXOLQMKHDIA-OAHLLOKOSA-N 2 0 358.448 3.319 20 0 FGADRP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]C[C@]2(C)CCCC[C@H]2O)CC1 ZINC000536402606 504723833 /nfs/dbraw/zinc/72/38/33/504723833.db2.gz HCMJOLKOOGLJSK-UXHICEINSA-N 2 0 365.949 3.123 20 0 FGADRP CCC[NH+]1CCN(c2ccccc2C[N@@H+]2CCC[C@@H]3COCC[C@H]32)CC1 ZINC000539890768 504731941 /nfs/dbraw/zinc/73/19/41/504731941.db2.gz MMINEEQLQZNTHB-IFMALSPDSA-N 2 0 357.542 3.220 20 0 FGADRP C[NH+](C)CCN(CCCc1ccccc1)C(=O)NCC1([NH+](C)C)CCCC1 ZINC000521457805 504741573 /nfs/dbraw/zinc/74/15/73/504741573.db2.gz YMJZASKTZLLXEC-UHFFFAOYSA-N 2 0 374.573 3.067 20 0 FGADRP CC1CCN(C(=O)C[NH+]2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)CC1 ZINC000536488879 504747213 /nfs/dbraw/zinc/74/72/13/504747213.db2.gz WGHSDEDFKNZSNW-UHFFFAOYSA-N 2 0 369.553 3.233 20 0 FGADRP C[C@H]1CN(c2ccccc2C[NH2+]C[C@H]2CCN2C2CCCCC2)CCO1 ZINC000529643163 504751363 /nfs/dbraw/zinc/75/13/63/504751363.db2.gz VRYZAJPNFMOYPG-GHTZIAJQSA-N 2 0 357.542 3.408 20 0 FGADRP CN(CC[NH+]1CCCC1)C(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000532860668 504768872 /nfs/dbraw/zinc/76/88/72/504768872.db2.gz HZTXIXMMZBGRBQ-UHFFFAOYSA-N 2 0 374.529 3.111 20 0 FGADRP Cn1nnc2cc(C[NH2+]C[C@@H]3CCCC[N@H+](Cc4ccccc4)C3)ccc21 ZINC000565111115 504797255 /nfs/dbraw/zinc/79/72/55/504797255.db2.gz VAGYDDYNIYIZIZ-FQEVSTJZSA-N 2 0 363.509 3.360 20 0 FGADRP C[C@@H]1C[NH+](CCOc2ccc(CC[NH2+][C@H]3CCOC3(C)C)cc2)C[C@H]1C ZINC000556117411 504799634 /nfs/dbraw/zinc/79/96/34/504799634.db2.gz BKRNXZQDKFJEHR-OPYAIIAOSA-N 2 0 360.542 3.353 20 0 FGADRP C[C@@H]([NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1)c1ccccc1C(F)(F)F ZINC000553009450 504803795 /nfs/dbraw/zinc/80/37/95/504803795.db2.gz NSMNLVGDEGCJGU-CYBMUJFWSA-N 2 0 369.431 3.099 20 0 FGADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2ccc(C)cc2-c2cnn(C)c2)C1 ZINC000549402788 504810499 /nfs/dbraw/zinc/81/04/99/504810499.db2.gz CAVXXYRHUKBCGM-NRFANRHFSA-N 2 0 370.541 3.328 20 0 FGADRP COc1cccc([C@H](CNC(=O)CC[N@@H+]2CCCC[C@H]2C)[NH+]2CCCC2)c1 ZINC000559260739 504811741 /nfs/dbraw/zinc/81/17/41/504811741.db2.gz APMAIRCJLTYXPB-NQIIRXRSSA-N 2 0 373.541 3.213 20 0 FGADRP O=C(NC1CCCCC1)N1CCC([NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)CC1 ZINC000565298638 504847416 /nfs/dbraw/zinc/84/74/16/504847416.db2.gz MREOQWXNLYYVJQ-SLFFLAALSA-N 2 0 362.562 3.003 20 0 FGADRP Cc1ccc(NC(=O)CC[NH2+]Cc2ccccc2C[NH+]2CCCCC2)nc1 ZINC000553463961 504921979 /nfs/dbraw/zinc/92/19/79/504921979.db2.gz ZEKSXEFRKGSDPJ-UHFFFAOYSA-N 2 0 366.509 3.494 20 0 FGADRP Cc1n[nH]c(C)c1C[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000549879444 504923828 /nfs/dbraw/zinc/92/38/28/504923828.db2.gz BGQLGSNCMURZEB-HXUWFJFHSA-N 2 0 368.525 3.045 20 0 FGADRP Fc1ccc(-n2nc(C[NH+]3CCC([C@@H]4CC[NH2+]C4)CC3)c3c2CCC3)cc1 ZINC000565658044 504951378 /nfs/dbraw/zinc/95/13/78/504951378.db2.gz JNBRFYYRECKWSZ-QGZVFWFLSA-N 2 0 368.500 3.322 20 0 FGADRP CC[NH+]1CCN(CC(C)(C)NCc2ncc(-c3ccccc3C)o2)CC1 ZINC000565756898 504979094 /nfs/dbraw/zinc/97/90/94/504979094.db2.gz AJXCGLBYMMWYNZ-UHFFFAOYSA-N 2 0 356.514 3.156 20 0 FGADRP COC(=O)CCC[C@H]1CCC[C@H]([NH2+]CC2(SC)CC[NH+](C)CC2)C1 ZINC000550218612 504994680 /nfs/dbraw/zinc/99/46/80/504994680.db2.gz SRBAGCSAGKOMOB-SJORKVTESA-N 2 0 356.576 3.306 20 0 FGADRP C[C@H]1C[C@@H](c2ccccc2)C[C@@H]([NH2+]CCC[N@@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC000553780961 505008113 /nfs/dbraw/zinc/00/81/13/505008113.db2.gz DEOCVHBCQVMAAU-WJMWBRGCSA-N 2 0 357.542 3.136 20 0 FGADRP Cc1ccc(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)cn1 ZINC000550270261 505008300 /nfs/dbraw/zinc/00/83/00/505008300.db2.gz LFWVDAUXKQKXQB-JOCHJYFZSA-N 2 0 365.521 3.408 20 0 FGADRP C[C@H]1CCC[C@@H]([NH+]2CCC([NH2+]CCn3cc(Br)cn3)CC2)C1 ZINC000556924143 505018189 /nfs/dbraw/zinc/01/81/89/505018189.db2.gz HCVSLBGFPSJSCP-WMLDXEAASA-N 2 0 369.351 3.278 20 0 FGADRP C[NH+](C)CCOc1cccc(NC(=O)N2CCCC[C@H]2[C@@H]2CCC[NH2+]C2)c1 ZINC000556932256 505021749 /nfs/dbraw/zinc/02/17/49/505021749.db2.gz LUHFDNQQTOHWSV-XLIONFOSSA-N 2 0 374.529 3.013 20 0 FGADRP C[C@@H]1C[C@@H](C[N@@H+]2CCC[C@@H](CNC(=O)Nc3cccc(F)c3)C2)CC[NH2+]1 ZINC000565939072 505032657 /nfs/dbraw/zinc/03/26/57/505032657.db2.gz JHTZTFTZKBKRBG-IKGGRYGDSA-N 2 0 362.493 3.047 20 0 FGADRP CC(C)[N@@H+](C)C[C@H](C)NC(=O)N[C@H]1CC[NH+](Cc2ccccc2)CC1(C)C ZINC000565982632 505045011 /nfs/dbraw/zinc/04/50/11/505045011.db2.gz CCXOVOSCEUGFEE-ICSRJNTNSA-N 2 0 374.573 3.315 20 0 FGADRP CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000557032635 505048304 /nfs/dbraw/zinc/04/83/04/505048304.db2.gz SIBQJRVMJWWKRO-PKOBYXMFSA-N 2 0 358.530 3.354 20 0 FGADRP C[C@H](NC(=O)Nc1ccc2c(c1)C[NH2+]CC2)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000557036126 505049305 /nfs/dbraw/zinc/04/93/05/505049305.db2.gz ZNGCVSKTFOYMNY-DOTOQJQBSA-N 2 0 356.514 3.107 20 0 FGADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCc2nc(-c3ccc(F)cc3F)cn2C1 ZINC000566088767 505076482 /nfs/dbraw/zinc/07/64/82/505076482.db2.gz KZFVDFMHBXJLNR-YEWWUXTCSA-N 2 0 360.452 3.250 20 0 FGADRP CCCC[N@H+](CC)Cc1cccc(CNC(=O)NCC2CC[NH2+]CC2)c1 ZINC000557184627 505088053 /nfs/dbraw/zinc/08/80/53/505088053.db2.gz WNFPTSUTIXROPS-UHFFFAOYSA-N 2 0 360.546 3.107 20 0 FGADRP CCC[N@H+](CC(=O)Nc1ccccc1OC)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000563269230 505092692 /nfs/dbraw/zinc/09/26/92/505092692.db2.gz KWEDQBWWDRXZNU-UHFFFAOYSA-N 2 0 367.493 3.192 20 0 FGADRP CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)C[C@H]1CCCC[C@@H]1[NH3+] ZINC000566171970 505104632 /nfs/dbraw/zinc/10/46/32/505104632.db2.gz LDKJKVMQMJDPAP-SJORKVTESA-N 2 0 371.529 3.224 20 0 FGADRP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@H](CC(C)(C)C)[NH2+]C ZINC000566181570 505106048 /nfs/dbraw/zinc/10/60/48/505106048.db2.gz PAVNGGVLQWQMMN-UXHICEINSA-N 2 0 359.558 3.381 20 0 FGADRP C[NH2+][C@@H](CC(C)(C)C)C(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1 ZINC000566185462 505106938 /nfs/dbraw/zinc/10/69/38/505106938.db2.gz IOFCZDBFPQPICQ-HNNXBMFYSA-N 2 0 355.910 3.243 20 0 FGADRP Cc1ccnc([C@@H](C)[NH2+]CCCN2CC[N@H+](C)C[C@H]2c2ccccc2)c1 ZINC000560514158 505110794 /nfs/dbraw/zinc/11/07/94/505110794.db2.gz SMTDRYINHVFMTB-KNQAVFIVSA-N 2 0 352.526 3.419 20 0 FGADRP [NH3+]Cc1cn([C@H]2CCC[N@H+](Cc3ccccc3Oc3ccccc3)C2)nn1 ZINC000557339634 505111325 /nfs/dbraw/zinc/11/13/25/505111325.db2.gz YHMXQEZJCWGVBH-IBGZPJMESA-N 2 0 363.465 3.366 20 0 FGADRP C[C@]1(c2ccccc2)CC[C@H]([N@@H+]2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)C1 ZINC000566230596 505119113 /nfs/dbraw/zinc/11/91/13/505119113.db2.gz INAUHNALLQIITH-DXKRWKNPSA-N 2 0 369.553 3.077 20 0 FGADRP CCC(CC)(C[NH3+])C(=O)NC[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000566250856 505123710 /nfs/dbraw/zinc/12/37/10/505123710.db2.gz FLVILTNWUGKQSL-PBHICJAKSA-N 2 0 369.912 3.353 20 0 FGADRP C[NH+](C)CCc1ccc(C(=O)N(Cc2ccco2)C2CC[NH+](C)CC2)cc1 ZINC000563382692 505127499 /nfs/dbraw/zinc/12/74/99/505127499.db2.gz HAOMWDGDNOQPGX-UHFFFAOYSA-N 2 0 369.509 3.120 20 0 FGADRP CCCC[N@H+](C)CC1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)CC1 ZINC000563383491 505128071 /nfs/dbraw/zinc/12/80/71/505128071.db2.gz QNYCRSZTMITBRZ-UHFFFAOYSA-N 2 0 359.558 3.375 20 0 FGADRP C[C@H](CN1CCCCC1)[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000563439231 505141106 /nfs/dbraw/zinc/14/11/06/505141106.db2.gz FZGIONKCIXALAK-LJQANCHMSA-N 2 0 358.574 3.181 20 0 FGADRP O=C1CC[C@@H]([NH2+]Cc2cccc(-c3ccccc3)c2)[C@H](C2CC[NH2+]CC2)N1 ZINC000563447652 505144103 /nfs/dbraw/zinc/14/41/03/505144103.db2.gz YXYGWTZPQMXXQU-GGAORHGYSA-N 2 0 363.505 3.090 20 0 FGADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)Nc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000563500417 505158325 /nfs/dbraw/zinc/15/83/25/505158325.db2.gz DPDXAQUQYWBHAP-HRAATJIYSA-N 2 0 364.493 3.289 20 0 FGADRP CC[C@@H]([NH2+]C1CCN(C(=O)NC2CCCCC2)CC1)[C@H]1CCCC[NH2+]1 ZINC000566407187 505166302 /nfs/dbraw/zinc/16/63/02/505166302.db2.gz NPOUBZKSDLTUAW-RTBURBONSA-N 2 0 350.551 3.003 20 0 FGADRP CC[C@@H]([NH2+]C1CCN(C(=O)NC2CCCCC2)CC1)[C@@H]1CCCC[NH2+]1 ZINC000566407182 505166818 /nfs/dbraw/zinc/16/68/18/505166818.db2.gz NPOUBZKSDLTUAW-MOPGFXCFSA-N 2 0 350.551 3.003 20 0 FGADRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000557563434 505168560 /nfs/dbraw/zinc/16/85/60/505168560.db2.gz MUCOCFCKHIZUKB-UYAOXDASSA-N 2 0 357.542 3.135 20 0 FGADRP CCCN(CC[NH+]1CCCCC1)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000554464624 505179647 /nfs/dbraw/zinc/17/96/47/505179647.db2.gz NUCBJKOHLWQAOL-OAQYLSRUSA-N 2 0 372.557 3.168 20 0 FGADRP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000563581357 505182741 /nfs/dbraw/zinc/18/27/41/505182741.db2.gz OSXGBGGJAXTGDT-NBOOPKSLSA-N 2 0 364.559 3.042 20 0 FGADRP C[NH+](C)CCOc1cnccc1C[NH2+][C@@H]1CSCCc2ccccc21 ZINC000554742314 505253587 /nfs/dbraw/zinc/25/35/87/505253587.db2.gz SDMJVPMXBQQLLQ-LJQANCHMSA-N 2 0 357.523 3.142 20 0 FGADRP C[C@H]1CN(C(=O)NCc2ccccc2C[N@H+](C)C2CCCCC2)CC[C@H]1[NH3+] ZINC000561131308 505258294 /nfs/dbraw/zinc/25/82/94/505258294.db2.gz BEWQAFFYNHJNQO-LAUBAEHRSA-N 2 0 372.557 3.330 20 0 FGADRP C[C@@H]1C[C@@H](NC(=O)NC[C@H]2[NH2+]CCCC2(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000561193867 505276621 /nfs/dbraw/zinc/27/66/21/505276621.db2.gz PKHQRSDVAODAPR-YZGWKJHDSA-N 2 0 372.557 3.117 20 0 FGADRP Fc1ccc(/C=C/C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)cc1F ZINC000554855366 505281720 /nfs/dbraw/zinc/28/17/20/505281720.db2.gz QZKPKSWSJBXIDF-OWOJBTEDSA-N 2 0 350.453 3.412 20 0 FGADRP C[C@H]([NH2+]Cc1cccc(N2CCC2=O)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000554864806 505284215 /nfs/dbraw/zinc/28/42/15/505284215.db2.gz GLBGILBWCVFRRQ-GHTZIAJQSA-N 2 0 363.505 3.424 20 0 FGADRP C[C@@H]1C[C@@H]1[N@@H+]1CCN(C(=O)c2cccc(C[NH+]3CCCC3)c2)C[C@@H](C)C1 ZINC000558014075 505285286 /nfs/dbraw/zinc/28/52/86/505285286.db2.gz VBYNSCQHFRCXBW-UEXGIBASSA-N 2 0 355.526 3.085 20 0 FGADRP CCCC[NH+]1CCC(NC(=O)N[C@]2(C)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000566917276 505310796 /nfs/dbraw/zinc/31/07/96/505310796.db2.gz CHLBQRXLOFBDKL-JOCHJYFZSA-N 2 0 372.557 3.215 20 0 FGADRP CN(CCC[N@H+](C)Cc1ccco1)C(=O)NCC1([NH+](C)C)CCCCC1 ZINC000561422998 505341004 /nfs/dbraw/zinc/34/10/04/505341004.db2.gz UEFDHFCUJJYMQC-UHFFFAOYSA-N 2 0 364.534 3.007 20 0 FGADRP COc1cc2c(c(CNc3ccc(Cn4ccnc4)cn3)c1)O[C@H](C)C2 ZINC000551964819 505355972 /nfs/dbraw/zinc/35/59/72/505355972.db2.gz OKKFHIGNSQQKOX-CQSZACIVSA-N 2 0 350.422 3.271 20 0 FGADRP C[C@@H]([NH2+]C1(CO)Cc2ccccc2C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000567147512 505376696 /nfs/dbraw/zinc/37/66/96/505376696.db2.gz PHOHSQCRIHRYOO-XMSQKQJNSA-N 2 0 350.506 3.017 20 0 FGADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+]CCC(=O)Nc2ccccn2)CC1 ZINC000552049476 505381916 /nfs/dbraw/zinc/38/19/16/505381916.db2.gz WGEFDXJYOKRAGG-UHFFFAOYSA-N 2 0 366.509 3.443 20 0 FGADRP COC(=O)c1cccc(C[NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)c1 ZINC000558415961 505382927 /nfs/dbraw/zinc/38/29/27/505382927.db2.gz FSYVQRXQMQACKM-BHIFYINESA-N 2 0 364.489 3.473 20 0 FGADRP COCc1ccccc1/C=C(/C)C[N@@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000552060591 505385869 /nfs/dbraw/zinc/38/58/69/505385869.db2.gz PJRDKGMTGHSBRM-WNPPMXKSSA-N 2 0 371.569 3.337 20 0 FGADRP CCc1nc(C(C)C)ccc1CN1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000555417651 505428197 /nfs/dbraw/zinc/42/81/97/505428197.db2.gz FXEAPPGVDHCZOO-PGRDOPGGSA-N 2 0 358.574 3.225 20 0 FGADRP Cc1nccn1-c1ccc([C@H](C)NC(=O)N[C@@H]2C[C@@H](C)n3ccnc32)cc1 ZINC000564540096 505446365 /nfs/dbraw/zinc/44/63/65/505446365.db2.gz MHQYBUMQKQEASF-QWQRMKEZSA-N 2 0 364.453 3.443 20 0 FGADRP Cc1c(C)c(C)c(C[NH+]2CCC(C(=O)NCC[NH+](C)C)CC2)c(C)c1C ZINC000561841488 505447015 /nfs/dbraw/zinc/44/70/15/505447015.db2.gz GMRWFEMDUDSCIP-UHFFFAOYSA-N 2 0 359.558 3.119 20 0 FGADRP C[N@@H+]1CC[C@H]([NH2+]Cc2cc(Br)cc3c2OCC3)[C@H]2CCC[C@H]21 ZINC000552285705 505450964 /nfs/dbraw/zinc/45/09/64/505450964.db2.gz ZKFTWURATKVPPT-IXDOHACOSA-N 2 0 365.315 3.346 20 0 FGADRP CCC[N@H+](CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)Cc1ccccc1 ZINC000552306356 505456190 /nfs/dbraw/zinc/45/61/90/505456190.db2.gz VZAACBRZHWPXIP-OAQYLSRUSA-N 2 0 353.510 3.318 20 0 FGADRP C[C@@H](c1ccc(NC(=O)CC[N@@H+]2CCCC[C@H]2C)cc1)N1CCOCC1 ZINC000555558095 505457359 /nfs/dbraw/zinc/45/73/59/505457359.db2.gz GEESCFMPFXLBPW-MSOLQXFVSA-N 2 0 359.514 3.283 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)[C@@]2(c3ccccc3)CC[NH2+]C2)C1 ZINC000567584930 505506073 /nfs/dbraw/zinc/50/60/73/505506073.db2.gz GERIIBXGBJUOIF-VIZSFHNOSA-N 2 0 369.553 3.031 20 0 FGADRP CC(C)[C@H](C[NH2+][C@@H]1CCCc2c3ccccc3[nH]c21)N1CC[NH+](C)CC1 ZINC000564755446 505510838 /nfs/dbraw/zinc/51/08/38/505510838.db2.gz ZDPFFDJPGBRPKB-RTWAWAEBSA-N 2 0 354.542 3.407 20 0 FGADRP C[NH+](C)CCNC(=O)c1ccc(C[NH2+][C@@H]2CCc3c2cccc3Cl)cc1 ZINC000552551436 505513274 /nfs/dbraw/zinc/51/32/74/505513274.db2.gz NQPNAVWFFMKOIB-HXUWFJFHSA-N 2 0 371.912 3.409 20 0 FGADRP c1cn(-c2cccc(C[NH2+][C@@H]3C[C@@]4(CC[NH2+]C4)Oc4ccccc43)c2)cn1 ZINC000567641532 505521919 /nfs/dbraw/zinc/52/19/19/505521919.db2.gz LWKVERPILOSKPS-IFMALSPDSA-N 2 0 360.461 3.218 20 0 FGADRP C[C@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000564827480 505531458 /nfs/dbraw/zinc/53/14/58/505531458.db2.gz JACQYBDCEZPOJT-UMPJEAMMSA-N 2 0 369.431 3.400 20 0 FGADRP C[NH+](C)C[C@H](NC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)c1ccc(F)cc1 ZINC000562176376 505532572 /nfs/dbraw/zinc/53/25/72/505532572.db2.gz YXEAOWLGMRQIAT-KRWDZBQOSA-N 2 0 364.509 3.037 20 0 FGADRP O[C@H](C[NH2+]Cc1ccccc1C[NH+]1CCCC1)COCc1cccs1 ZINC000564846571 505537057 /nfs/dbraw/zinc/53/70/57/505537057.db2.gz PQBBKKYTFCNIQP-LJQANCHMSA-N 2 0 360.523 3.011 20 0 FGADRP C[NH+](C)[C@@H]1CCC[C@H](Nc2cncc(N[C@H]3CCC[C@@H]([NH+](C)C)C3)n2)C1 ZINC000555925184 505540018 /nfs/dbraw/zinc/54/00/18/505540018.db2.gz IYNBEHNBSSSRCO-WNRNVDISSA-N 2 0 360.550 3.046 20 0 FGADRP C[N@@H+]1CCC[C@@H](CC[NH2+]C[C@@H](O)COc2cc(Cl)ccc2Cl)C1 ZINC000564855215 505540598 /nfs/dbraw/zinc/54/05/98/505540598.db2.gz DPSROQBLNNOAHG-DZGCQCFKSA-N 2 0 361.313 3.055 20 0 FGADRP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCN(Cc3ccccc3)C3(CC3)C2)[C@@]12CCCO2 ZINC000567851682 505568408 /nfs/dbraw/zinc/56/84/08/505568408.db2.gz WUCDLWOPVDJRMS-SRUXOGRHSA-N 2 0 370.537 3.500 20 0 FGADRP CC(C)[C@H](CNC(=O)NCCC[NH+]1CCCCC1)[NH+]1CCCCCC1 ZINC000612186753 506477364 /nfs/dbraw/zinc/47/73/64/506477364.db2.gz MFRMTVOPPICMTD-IBGZPJMESA-N 2 0 352.567 3.062 20 0 FGADRP CC[C@@H](C)[N@H+](C)CCNC(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000589203512 506483640 /nfs/dbraw/zinc/48/36/40/506483640.db2.gz LYHSHWROLGIMBJ-GOSISDBHSA-N 2 0 360.546 3.202 20 0 FGADRP CC[C@H](C)[N@H+](C)CCNC(=O)N(CC[NH+](C)C)Cc1cccc(Cl)c1 ZINC000589221102 506490865 /nfs/dbraw/zinc/49/08/65/506490865.db2.gz OZOWRKCTTRRQHF-INIZCTEOSA-N 2 0 368.953 3.144 20 0 FGADRP CC(C)[C@@H](C(=O)Nc1ccc(OCCC[NH+](C)C)cc1)[NH+]1CCCCC1 ZINC000593265467 506502172 /nfs/dbraw/zinc/50/21/72/506502172.db2.gz SARJZENVWVVUQO-FQEVSTJZSA-N 2 0 361.530 3.466 20 0 FGADRP CC[C@H](C)[NH2+][C@@H](CNC(=O)[C@H]1CCc2nc(C(C)C)[nH]c2C1)c1ccco1 ZINC000582984270 506523234 /nfs/dbraw/zinc/52/32/34/506523234.db2.gz IRNREMTVGJQWAQ-MPGHIAIKSA-N 2 0 372.513 3.477 20 0 FGADRP CSC1(C[NH2+][C@@H](C)c2nnn(-c3ccccc3)c2C)CC[NH+](C)CC1 ZINC000589348049 506524454 /nfs/dbraw/zinc/52/44/54/506524454.db2.gz IASILVDZTIIJEA-HNNXBMFYSA-N 2 0 359.543 3.054 20 0 FGADRP C[C@@H]([NH2+]CCC1(C[NH3+])CC1)c1ccc(F)c(I)c1 ZINC000593320575 506538334 /nfs/dbraw/zinc/53/83/34/506538334.db2.gz UCMQZQZUWDTUOJ-SNVBAGLBSA-N 2 0 362.230 3.210 20 0 FGADRP c1ccc(C[NH+]2CCCCC2)c(C[NH2+]C2CCN(C[C@@H]3CCCO3)CC2)c1 ZINC000603517340 506540377 /nfs/dbraw/zinc/54/03/77/506540377.db2.gz PVJMOBSUKSSLGH-QHCPKHFHSA-N 2 0 371.569 3.406 20 0 FGADRP CC1CC[NH+](CCCNC(=O)N2CC[C@H]([N@H+](C)Cc3ccccc3)C2)CC1 ZINC000608624034 506637043 /nfs/dbraw/zinc/63/70/43/506637043.db2.gz CDLLLKXSAQHVDW-NRFANRHFSA-N 2 0 372.557 3.024 20 0 FGADRP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)N1CC[C@H]([N@H+](C)Cc2ccccc2)C1 ZINC000608674012 506659181 /nfs/dbraw/zinc/65/91/81/506659181.db2.gz NEMVRGDDQZGNER-SBHAEUEKSA-N 2 0 372.557 3.165 20 0 FGADRP CC[NH+](CC)[C@H]1CCN(C(=O)N[C@@H](C[NH+]2CCCCC2)c2ccccc2)C1 ZINC000608685393 506664914 /nfs/dbraw/zinc/66/49/14/506664914.db2.gz PYQHTRLXMWDFKU-SFTDATJTSA-N 2 0 372.557 3.339 20 0 FGADRP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@H]1CCC[NH+]1CC ZINC000608697770 506672752 /nfs/dbraw/zinc/67/27/52/506672752.db2.gz CVAIDGGIPXQZJZ-LEWJYISDSA-N 2 0 372.557 3.024 20 0 FGADRP O=C(NCCC[NH2+]C1CCCCC1)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000604116672 506720199 /nfs/dbraw/zinc/72/01/99/506720199.db2.gz XRPKYRZFFFTRMP-OAQYLSRUSA-N 2 0 372.557 3.263 20 0 FGADRP C[NH+](C)CC1CC[NH+](C[C@@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000590125822 506743910 /nfs/dbraw/zinc/74/39/10/506743910.db2.gz NUOADWXVYZXQDF-CQSZACIVSA-N 2 0 361.313 3.007 20 0 FGADRP O=C(N[C@H](C[NH+]1CCCCC1)c1ccccc1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000604202208 506749660 /nfs/dbraw/zinc/74/96/60/506749660.db2.gz STQOAKPNOPWYKE-NHCUHLMSSA-N 2 0 370.541 3.093 20 0 FGADRP COC(=O)c1oc(C[NH2+]CC2CC[NH+](Cc3cccs3)CC2)cc1C ZINC000597052197 506750773 /nfs/dbraw/zinc/75/07/73/506750773.db2.gz RILLYMMNMJDMAA-UHFFFAOYSA-N 2 0 362.495 3.438 20 0 FGADRP C[NH+](C)CC1CCC(NC(=O)[C@H]2CCC[N@H+](CCc3ccccc3)C2)CC1 ZINC000612796710 506751573 /nfs/dbraw/zinc/75/15/73/506751573.db2.gz QQCLZWDOOFPQMK-ORFBVSJDSA-N 2 0 371.569 3.178 20 0 FGADRP COC(=O)c1cc2cc(C[N@@H+]3CCCC[C@@H]3[C@@H]3C[C@@H]([NH3+])CCO3)ccc2o1 ZINC000593730151 506752100 /nfs/dbraw/zinc/75/21/00/506752100.db2.gz KVQLZCCGLNVTDN-SCTDSRPQSA-N 2 0 372.465 3.080 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N[C@@H]2CC23CC[NH2+]CC3)cc1 ZINC000612963358 506841907 /nfs/dbraw/zinc/84/19/07/506841907.db2.gz MWPIAEHQDUUWCT-YLJYHZDGSA-N 2 0 370.541 3.002 20 0 FGADRP COc1ccc(C(C)C)cc1C[N@@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000593959289 506850710 /nfs/dbraw/zinc/85/07/10/506850710.db2.gz KTIOBJUZIJJNMB-NRFANRHFSA-N 2 0 359.558 3.419 20 0 FGADRP C[NH+](C)CC[C@H](NC(=O)C1CC[NH+](Cc2ccccc2)CC1)C(C)(C)C ZINC000604727920 506920362 /nfs/dbraw/zinc/92/03/62/506920362.db2.gz LAPLHLXIDSGORV-FQEVSTJZSA-N 2 0 359.558 3.381 20 0 FGADRP CC(C)[C@@H](CNC(=O)N1CC[C@@H]([NH+]2CCCCC2)C1)[NH+]1CCC(C)CC1 ZINC000594090495 506934509 /nfs/dbraw/zinc/93/45/09/506934509.db2.gz SDMNEUKVKZIFBG-WOJBJXKFSA-N 2 0 364.578 3.013 20 0 FGADRP C[NH+](C)CC[C@@H](NC(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C)C(C)(C)C ZINC000604807356 506950712 /nfs/dbraw/zinc/95/07/12/506950712.db2.gz FGYPXQMVUVZKOF-QZTJIDSGSA-N 2 0 366.525 3.094 20 0 FGADRP CC1=C[C@@H](C)C[C@@H](C[NH+]2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)C1 ZINC000583864292 507017414 /nfs/dbraw/zinc/01/74/14/507017414.db2.gz COUYQSVPTMOJNO-UYAOXDASSA-N 2 0 361.574 3.293 20 0 FGADRP Cc1cc(F)ccc1N1CCC[C@@H]([NH+]2CCC(C[NH+]3CCCC3)CC2)C1=O ZINC000604997712 507025762 /nfs/dbraw/zinc/02/57/62/507025762.db2.gz DFKSBSPBDARNPA-OAQYLSRUSA-N 2 0 373.516 3.437 20 0 FGADRP C[NH+](C)C1(CNC(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)CCCCCC1 ZINC000594276105 507056262 /nfs/dbraw/zinc/05/62/62/507056262.db2.gz LZQLUNKGZFCUTC-LJQANCHMSA-N 2 0 364.578 3.301 20 0 FGADRP C[C@@H](CCNC(=O)[C@H](C[NH+]1CCCC1)c1ccccc1)[NH+]1CCCCC1 ZINC000613466011 507105652 /nfs/dbraw/zinc/10/56/52/507105652.db2.gz UPKYIBZUDGHQJP-PZJWPPBQSA-N 2 0 357.542 3.247 20 0 FGADRP C[C@@H](CNC(=O)N1CCN(Cc2ccccc2)C[C@H]1C)[N@@H+]1CCCC[C@H]1C ZINC000600843732 507145351 /nfs/dbraw/zinc/14/53/51/507145351.db2.gz CANOKINFZPXUER-HSALFYBXSA-N 2 0 372.557 3.165 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)NC[C@@H]1CCCC[N@@H+]1CC)Cc1ccccc1 ZINC000600862673 507149708 /nfs/dbraw/zinc/14/97/08/507149708.db2.gz CGGWLDIKNBMYDS-LEWJYISDSA-N 2 0 374.573 3.113 20 0 FGADRP C[C@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1ccc(I)cc1 ZINC000594509391 507161803 /nfs/dbraw/zinc/16/18/03/507161803.db2.gz IEGHYOUGIXUXJF-SLEUVZQESA-N 2 0 358.267 3.282 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)c2ccc(Nc3cc[nH+]cc3)cc2)C1 ZINC000605404300 507179570 /nfs/dbraw/zinc/17/95/70/507179570.db2.gz RZVDRGONVKQERS-HDICACEKSA-N 2 0 366.509 3.345 20 0 FGADRP C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)NCC2([NH2+][C@@H](C)c3ccccc3)CCCC2)C1 ZINC000584162526 507187304 /nfs/dbraw/zinc/18/73/04/507187304.db2.gz XBOWZAICLXIIPF-WSTZPKSXSA-N 2 0 372.557 3.419 20 0 FGADRP C[C@@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000605423062 507187723 /nfs/dbraw/zinc/18/77/23/507187723.db2.gz WLNKLQUTAWKQNA-VXRQLKRISA-N 2 0 361.574 3.124 20 0 FGADRP C[C@@H]([NH2+][C@@H](CO)Cc1ccc(F)cc1)c1cccc(OCC[NH+](C)C)c1 ZINC000584248283 507236288 /nfs/dbraw/zinc/23/62/88/507236288.db2.gz JLAHXQPSYQONKD-OXQOHEQNSA-N 2 0 360.473 3.020 20 0 FGADRP CC(C)[NH2+][C@@H]1CCCN(C(=O)NCC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000601282282 507322039 /nfs/dbraw/zinc/32/20/39/507322039.db2.gz OEQIIRGBUYFXND-OAQYLSRUSA-N 2 0 372.557 3.071 20 0 FGADRP CC1CC[NH+](CCc2cccc(NC(=O)N[C@H]3C[NH2+]CC[C@@H]3C)c2)CC1 ZINC000584457934 507357113 /nfs/dbraw/zinc/35/71/13/507357113.db2.gz XGFBNONXEWBPII-PXNSSMCTSA-N 2 0 358.530 3.081 20 0 FGADRP CC[NH+](CC)CCn1ccc2cc(NC(=O)CC3CC[NH2+]CC3)ccc21 ZINC000584467328 507360527 /nfs/dbraw/zinc/36/05/27/507360527.db2.gz HDHBREIOZUTXBY-UHFFFAOYSA-N 2 0 356.514 3.311 20 0 FGADRP C[C@@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+]CCN1CC[C@H](C)C1 ZINC000584491722 507374645 /nfs/dbraw/zinc/37/46/45/507374645.db2.gz XWWJHZQKCTWDOY-KBPBESRZSA-N 2 0 357.420 3.354 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2C[NH2+]C[C@@H]2CNc3ccnn3C2)C1 ZINC000595139194 507405389 /nfs/dbraw/zinc/40/53/89/507405389.db2.gz GSZGPVXERSRNKA-CEXWTWQISA-N 2 0 367.541 3.193 20 0 FGADRP CC[NH+](CC)Cc1ccc(CNC(=O)N[C@H](C)C2CC[NH+](C)CC2)cc1 ZINC000606627223 507456715 /nfs/dbraw/zinc/45/67/15/507456715.db2.gz CDVAHHVOWPXFMO-QGZVFWFLSA-N 2 0 360.546 3.058 20 0 FGADRP Cc1ccc([C@H](CNC(=O)N2CC[N@@H+](C)C[C@@H]2C(C)C)[NH+]2CCCC2)cc1 ZINC000606662074 507473583 /nfs/dbraw/zinc/47/35/83/507473583.db2.gz MAZQZGAFDJGXMT-LEWJYISDSA-N 2 0 372.557 3.114 20 0 FGADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)N[C@@H](C)C1CC[NH+](C)CC1 ZINC000606702201 507487699 /nfs/dbraw/zinc/48/76/99/507487699.db2.gz RTSHQFOCKYYMJS-KRWDZBQOSA-N 2 0 360.546 3.010 20 0 FGADRP CN1CC[NH+](CCCC[NH2+]Cc2cnc(CCc3ccccc3)s2)CC1 ZINC000584760964 507488386 /nfs/dbraw/zinc/48/83/86/507488386.db2.gz ZXLZPRVFLGTQBU-UHFFFAOYSA-N 2 0 372.582 3.046 20 0 FGADRP C/C(=C/c1ccccc1OC(F)F)C[NH2+]C[C@@H](C)CN1CC[NH+](C)CC1 ZINC000584809093 507515914 /nfs/dbraw/zinc/51/59/14/507515914.db2.gz CLCJKXARAHNHRA-TXQCQQFXSA-N 2 0 367.484 3.164 20 0 FGADRP CC[NH+](CC)CC1CC[NH+]([C@@H]2CCN(c3ccc(Cl)cc3)C2=O)CC1 ZINC000606898033 507545404 /nfs/dbraw/zinc/54/54/04/507545404.db2.gz YFSKDHUNMTWSLH-LJQANCHMSA-N 2 0 363.933 3.499 20 0 FGADRP CC(C)[N@H+](C)CC1CC[NH+]([C@@H]2CCN(c3ccc(Cl)cc3)C2=O)CC1 ZINC000606897807 507546408 /nfs/dbraw/zinc/54/64/08/507546408.db2.gz CMULYUDUNBAFGV-LJQANCHMSA-N 2 0 363.933 3.498 20 0 FGADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000595657235 507617502 /nfs/dbraw/zinc/61/75/02/507617502.db2.gz CLCQGEJWLSXOQD-UXHICEINSA-N 2 0 360.546 3.243 20 0 FGADRP C[C@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]CCCCC(=O)OC(C)(C)C ZINC000611367555 507645063 /nfs/dbraw/zinc/64/50/63/507645063.db2.gz KHOXOLXRYKMDOF-HKUYNNGSSA-N 2 0 361.530 3.394 20 0 FGADRP COC(=O)COc1c(C)cc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cc1C ZINC000592433664 507656377 /nfs/dbraw/zinc/65/63/77/507656377.db2.gz OFTNTHRUZKCPDQ-WOJBJXKFSA-N 2 0 374.525 3.067 20 0 FGADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)NCC1CC[NH+](CCC)CC1 ZINC000595810064 507697333 /nfs/dbraw/zinc/69/73/33/507697333.db2.gz IQQQHZYTCHCHEU-LJQANCHMSA-N 2 0 352.567 3.062 20 0 FGADRP C[N@H+](C[C@H](O)COc1ccc(-c2ccccc2)cc1)C[C@H]1CCC[NH+](C)C1 ZINC000607358515 507699936 /nfs/dbraw/zinc/69/99/36/507699936.db2.gz XGDFHEZRCPZXRS-UGKGYDQZSA-N 2 0 368.521 3.367 20 0 FGADRP C[N@H+](C[C@@H](O)COc1ccc(Cl)c(Cl)c1)C[C@@H]1CCC[NH+](C)C1 ZINC000607391351 507718965 /nfs/dbraw/zinc/71/89/65/507718965.db2.gz ZTQZUNJRFXKRRP-ZIAGYGMSSA-N 2 0 361.313 3.007 20 0 FGADRP COC(=O)[C@H](C)C[N@H+](Cc1ccccc1)Cc1cccc2c1CC[NH2+]C2 ZINC000595893461 507729908 /nfs/dbraw/zinc/72/99/08/507729908.db2.gz RJBHYDBPFFBLJW-QGZVFWFLSA-N 2 0 352.478 3.144 20 0 FGADRP Cc1c(NC[C@@H]2CC[NH+]2C(C)(C)C)ncnc1NC[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000630095186 522615720 /nfs/dbraw/zinc/61/57/20/522615720.db2.gz VPRUDMBMYSRSBL-IRXDYDNUSA-N 2 0 374.577 3.354 20 0 FGADRP CCC1([NH+](C)C)CCN(C(=O)NC2CC[NH+](C3CCCCC3)CC2)CC1 ZINC000636883344 568170275 /nfs/dbraw/zinc/17/02/75/568170275.db2.gz OZAGBABGEVSVEL-UHFFFAOYSA-N 2 0 364.578 3.299 20 0 FGADRP CCC[N@H+](CC)C[C@@H](C)NC(=O)N1CC[C@H]([NH+](C)Cc2ccccc2)C1 ZINC000643293903 568735455 /nfs/dbraw/zinc/73/54/55/568735455.db2.gz DVZLSWMFDYTQDP-QUCCMNQESA-N 2 0 360.546 3.023 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000820703026 606915263 /nfs/dbraw/zinc/91/52/63/606915263.db2.gz CIRPNVGFNYWSFB-QGZVFWFLSA-N 2 0 368.529 3.343 20 0 FGADRP CC[N@H+](CCC1CC[NH+](Cc2ccccc2-c2nn[nH]n2)CC1)CC1CC1 ZINC000825418965 608882693 /nfs/dbraw/zinc/88/26/93/608882693.db2.gz AWNBJOPLZBEDNM-UHFFFAOYSA-N 2 0 368.529 3.201 20 0 FGADRP CC[N@H+](C)Cc1cccc(C[NH2+][C@H](C)c2ccc(-c3nn[nH]n3)cc2F)c1 ZINC000825391467 609333475 /nfs/dbraw/zinc/33/34/75/609333475.db2.gz ZSTPIGCWRPRXSR-CQSZACIVSA-N 2 0 368.460 3.308 20 0 FGADRP C[C@@H]([NH2+]CCCCC[NH+]1CCCCC1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824584811 609334992 /nfs/dbraw/zinc/33/49/92/609334992.db2.gz HUCJNXRVULRMQT-OAHLLOKOSA-N 2 0 360.481 3.313 20 0 FGADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2C)C1 ZINC000779054539 724385351 /nfs/dbraw/zinc/38/53/51/724385351.db2.gz PZIOUIUIJNMXGZ-KZNAEPCWSA-N 2 0 353.551 3.342 20 0 FGADRP CCC[NH+]1CCC([N@H+](C)C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000109786178 700537065 /nfs/dbraw/zinc/53/70/65/700537065.db2.gz GTVDCRHDLBNROH-QGZVFWFLSA-N 2 0 353.551 3.440 20 0 FGADRP C[NH+]1CCC(C[NH2+]Cc2nc(-c3cccc(Br)c3)c[nH]2)CC1 ZINC000111384092 700547905 /nfs/dbraw/zinc/54/79/05/700547905.db2.gz KNLUUAHCCUBQBM-UHFFFAOYSA-N 2 0 363.303 3.271 20 0 FGADRP C[C@H]([NH2+]CCN1CC[NH+](Cc2ccccc2)CC1)c1ccc(Cl)nc1 ZINC000179096623 705688505 /nfs/dbraw/zinc/68/85/05/705688505.db2.gz FYBRDACXMNCIEW-KRWDZBQOSA-N 2 0 358.917 3.203 20 0 FGADRP CC[NH+](CC)Cc1cc([C@@H](C)[NH2+]C[C@]2(O)CCSC2)ccc1OC ZINC000183069352 705876028 /nfs/dbraw/zinc/87/60/28/705876028.db2.gz FXHPJINRHGVOOL-DNVCBOLYSA-N 2 0 352.544 3.056 20 0 FGADRP C[NH+](C)CCC1CC[NH+](C[C@@H](O)c2ccc(F)c(Br)c2)CC1 ZINC000186727834 712725384 /nfs/dbraw/zinc/72/53/84/712725384.db2.gz FFNWBBDOTKRCQW-QGZVFWFLSA-N 2 0 373.310 3.285 20 0 FGADRP COCC[N@H+](C)CCC[NH2+][C@@H](C)c1cc(Br)cc(C)c1O ZINC000186997716 712730471 /nfs/dbraw/zinc/73/04/71/712730471.db2.gz OOZDDFRGYOJXMA-ZDUSSCGKSA-N 2 0 359.308 3.082 20 0 FGADRP CC[NH+](CC)Cc1cc([C@@H](C)[NH2+]CC2(C)OCCCO2)ccc1OC ZINC000190666557 712819659 /nfs/dbraw/zinc/81/96/59/712819659.db2.gz ZSSKRCCCWCTYKU-MRXNPFEDSA-N 2 0 350.503 3.341 20 0 FGADRP C[C@H](C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1)c1cccc(Cl)c1 ZINC000261955067 713716312 /nfs/dbraw/zinc/71/63/12/713716312.db2.gz OOKQXYYAKMGISX-MDZRGWNJSA-N 2 0 363.933 3.024 20 0 FGADRP C[C@H]1CSC[C@@H]1[NH2+]Cc1cccc(OCC[N@H+](C)C2CCOCC2)c1 ZINC000294716671 713775352 /nfs/dbraw/zinc/77/53/52/713775352.db2.gz BRNPTRCDXHOOSF-JXFKEZNVSA-N 2 0 364.555 3.017 20 0 FGADRP C[NH+]1CCN(C(C)(C)C[NH2+][C@H]2CCc3sc(Br)cc32)CC1 ZINC000315377866 713806552 /nfs/dbraw/zinc/80/65/52/713806552.db2.gz RMEGKEKYFQZYGL-ZDUSSCGKSA-N 2 0 372.376 3.114 20 0 FGADRP Cc1cc(Br)ccc1[C@H](C)[NH2+]C[C@@H](C)N1CC[NH+](C)CC1 ZINC000641775982 717928966 /nfs/dbraw/zinc/92/89/66/717928966.db2.gz QXBLZUZLRRLOBU-CABCVRRESA-N 2 0 354.336 3.044 20 0 FGADRP CN1CCC([NH+]2CCC(CC[N@H+](C)Cc3cccc(Cl)n3)CC2)CC1 ZINC000374188661 713904362 /nfs/dbraw/zinc/90/43/62/713904362.db2.gz CJCGXPSLLRANFF-UHFFFAOYSA-N 2 0 364.965 3.363 20 0 FGADRP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCC[NH+](C(C)C)C(C)C)C1 ZINC000522077271 714169181 /nfs/dbraw/zinc/16/91/81/714169181.db2.gz YOKJXOSSMZIMKD-SFHVURJKSA-N 2 0 354.583 3.305 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CCc1cccc(Cl)c1 ZINC000523484243 714236386 /nfs/dbraw/zinc/23/63/86/714236386.db2.gz CZQBHVHIRASWCM-IBGZPJMESA-N 2 0 365.949 3.147 20 0 FGADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCC[NH+]2CCCC[C@@H]2C)C1 ZINC000524263709 714275631 /nfs/dbraw/zinc/27/56/31/714275631.db2.gz UWWRKDJDMOOWKD-ZWKOTPCHSA-N 2 0 352.567 3.061 20 0 FGADRP C[C@@H](C(=O)Nc1ccc(C(F)(F)F)cc1)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000524355298 714280222 /nfs/dbraw/zinc/28/02/22/714280222.db2.gz ZHSIJGLGKRSUET-ZDUSSCGKSA-N 2 0 357.420 3.306 20 0 FGADRP CC[NH+](CC)C[C@H](C)NC(=O)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000620550230 714922678 /nfs/dbraw/zinc/92/26/78/714922678.db2.gz JRLJVSAFMGJAHV-SFHVURJKSA-N 2 0 352.567 3.014 20 0 FGADRP C[NH+](C)CCNC(=O)C1CC[NH+](CCCCc2cccc(Cl)c2)CC1 ZINC000621265655 714975657 /nfs/dbraw/zinc/97/56/57/714975657.db2.gz LTGFCMHFQVHMIW-UHFFFAOYSA-N 2 0 365.949 3.053 20 0 FGADRP COc1ccc([C@H]([NH2+]CC(C)(C)N2CC[NH+](C)CC2)C(C)C)c(F)c1 ZINC000643344516 718025861 /nfs/dbraw/zinc/02/58/61/718025861.db2.gz HWMMRLDVSVJRQF-LJQANCHMSA-N 2 0 351.510 3.147 20 0 FGADRP C[C@H]([NH2+]CCc1c[nH]c2ccc(Br)cc12)[C@H]1CCC[NH2+]C1 ZINC000643480334 718036258 /nfs/dbraw/zinc/03/62/58/718036258.db2.gz WQONVMXBNUMGED-STQMWFEESA-N 2 0 350.304 3.451 20 0 FGADRP Brc1ccc([C@H]([NH2+]CC2CC[NH2+]CC2)[C@@H]2CCCO2)cc1 ZINC000643497349 718036755 /nfs/dbraw/zinc/03/67/55/718036755.db2.gz IZHUJJOKZLOBHY-IRXDYDNUSA-N 2 0 353.304 3.258 20 0 FGADRP Brc1ccc([C@H]([NH2+]CC2=CC[NH2+]CC2)[C@H]2CCCO2)cc1 ZINC000643520316 718037532 /nfs/dbraw/zinc/03/75/32/718037532.db2.gz MAQXPFGLGPRUCM-SJORKVTESA-N 2 0 351.288 3.179 20 0 FGADRP C[C@@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]C[C@H]1CCCC[N@H+](C)C1 ZINC000624120661 715477757 /nfs/dbraw/zinc/47/77/57/715477757.db2.gz DPCQKGXKXCDBMD-DLBZAZTESA-N 2 0 365.949 3.399 20 0 FGADRP C[C@@H]1CC[C@H](NC(=O)Nc2ccc(SCC[NH+]3CCCC3)cc2)C[NH2+]1 ZINC000625898927 715810557 /nfs/dbraw/zinc/81/05/57/715810557.db2.gz GBKGHHKVPVIVCB-WBVHZDCISA-N 2 0 362.543 3.137 20 0 FGADRP CC(C)[C@@H]1C[C@@H]([NH2+]Cc2c(Cl)cccc2N2CC[NH+](C)CC2)CCO1 ZINC000628231901 716127784 /nfs/dbraw/zinc/12/77/84/716127784.db2.gz FYMJNWGULAFJPN-JXFKEZNVSA-N 2 0 365.949 3.385 20 0 FGADRP CC(C)[C@H](CCc1ccc(Cl)cc1)[NH2+]Cc1cn([C@@H]2CC[NH2+]C2)nn1 ZINC000629552371 716305893 /nfs/dbraw/zinc/30/58/93/716305893.db2.gz IOTGGBHOXBMVAT-MOPGFXCFSA-N 2 0 361.921 3.213 20 0 FGADRP CC(C)[C@@H](CCc1ccc(Cl)cc1)[NH2+]Cc1cn([C@@H]2CC[NH2+]C2)nn1 ZINC000629552374 716305980 /nfs/dbraw/zinc/30/59/80/716305980.db2.gz IOTGGBHOXBMVAT-RTBURBONSA-N 2 0 361.921 3.213 20 0 FGADRP [NH3+]C[C@@H]1CN(CCOc2ccc(F)cc2Cl)CC[C@@H]1C(F)(F)F ZINC000629559538 716306551 /nfs/dbraw/zinc/30/65/51/716306551.db2.gz BGYDHUJTRQGTDC-PWSUYJOCSA-N 2 0 354.775 3.317 20 0 FGADRP [NH3+]C[C@H]1CN(CCOc2ccc(F)cc2Cl)CC[C@@H]1C(F)(F)F ZINC000629559537 716307006 /nfs/dbraw/zinc/30/70/06/716307006.db2.gz BGYDHUJTRQGTDC-JQWIXIFHSA-N 2 0 354.775 3.317 20 0 FGADRP O[C@@H]1CCC[C@H]1[NH+]1CCC([NH2+]Cc2ccc(CC(F)(F)F)cc2)CC1 ZINC000631091417 716563647 /nfs/dbraw/zinc/56/36/47/716563647.db2.gz MOADIDJXWGEVFA-QZTJIDSGSA-N 2 0 356.432 3.259 20 0 FGADRP CCC1([NH+](C)C)CCN(C(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000632896436 716838390 /nfs/dbraw/zinc/83/83/90/716838390.db2.gz ASSUIDQZAWJIKL-SFHVURJKSA-N 2 0 352.567 3.157 20 0 FGADRP [NH3+]C[C@@H]1CN(C(=O)CC[C@@H]([NH3+])CC2CCCCC2)CC[C@@H]1C(F)(F)F ZINC000638558714 717464911 /nfs/dbraw/zinc/46/49/11/717464911.db2.gz RCZXBWLOXRBULV-OAGGEKHMSA-N 2 0 363.468 3.050 20 0 FGADRP CC[NH+](CC)CCC[C@H](C)[NH2+]Cc1cnn2cc(Br)cnc12 ZINC000638864337 717495059 /nfs/dbraw/zinc/49/50/59/717495059.db2.gz SOACSPBLPZDUFN-ZDUSSCGKSA-N 2 0 368.323 3.092 20 0 FGADRP CCC1(C(=O)Nc2cc(N3CC[NH2+]CC3)cc[nH+]2)CCC(F)(F)CC1 ZINC000638986248 717504764 /nfs/dbraw/zinc/50/47/64/717504764.db2.gz XYYBMEYIWHMOEY-UHFFFAOYSA-N 2 0 352.429 3.035 20 0 FGADRP O=C(CC[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)Nc1cccc(C(F)(F)F)c1 ZINC000644524199 718118484 /nfs/dbraw/zinc/11/84/84/718118484.db2.gz ZSHOCIRBABDEHA-ZBFHGGJFSA-N 2 0 355.404 3.250 20 0 FGADRP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]C[C@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000644583858 718128502 /nfs/dbraw/zinc/12/85/02/718128502.db2.gz ZIAQIMLUHZQALW-ZNMIVQPWSA-N 2 0 361.313 3.196 20 0 FGADRP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+]CC(C)(C)[C@]2(O)CCOC2)CC1 ZINC000647342263 718351279 /nfs/dbraw/zinc/35/12/79/718351279.db2.gz LTWOQYFDYLSWBG-NRFANRHFSA-N 2 0 354.579 3.433 20 0 FGADRP CN1CC[C@H](C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000647793623 718377911 /nfs/dbraw/zinc/37/79/11/718377911.db2.gz CCLRBEAAAHAUGZ-RXFYRGCNSA-N 2 0 365.924 3.450 20 0 FGADRP CSc1ccccc1NC(=O)CC[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647976444 718391209 /nfs/dbraw/zinc/39/12/09/718391209.db2.gz ONVPCKPZNIULBF-SJORKVTESA-N 2 0 361.555 3.449 20 0 FGADRP C[C@H](C(=O)Nc1ccc(F)c(F)c1)[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647976715 718391264 /nfs/dbraw/zinc/39/12/64/718391264.db2.gz SKBQNDROFQATJE-RBSFLKMASA-N 2 0 351.441 3.003 20 0 FGADRP O=C1[C@H]([N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)CCN1c1ccccc1Cl ZINC000647978027 718391699 /nfs/dbraw/zinc/39/16/99/718391699.db2.gz LKOBNKKKGVHGOP-GPMSIDNRSA-N 2 0 361.917 3.157 20 0 FGADRP COc1cc(C[N@@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)ccc1SC ZINC000650706484 718716889 /nfs/dbraw/zinc/71/68/89/718716889.db2.gz LVQACFBLPCTRSF-BBWFWOEESA-N 2 0 350.528 3.135 20 0 FGADRP C[NH2+]Cc1ccccc1C[NH2+]Cc1cc2c(cc1OC(F)F)OCO2 ZINC000650719088 718719354 /nfs/dbraw/zinc/71/93/54/718719354.db2.gz CQKIBHHOKHJGTL-UHFFFAOYSA-N 2 0 350.365 3.026 20 0 FGADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@@H+]2Cc2ccc(Br)cc2)C1 ZINC000650722278 718720170 /nfs/dbraw/zinc/72/01/70/718720170.db2.gz OPTOVPSALDWHMB-IXDOHACOSA-N 2 0 353.304 3.310 20 0 FGADRP C[C@H]1CCC[N@H+](CCC(=O)Nc2ccc(Br)cc2)[C@@H]1CC[NH3+] ZINC000652354269 718936413 /nfs/dbraw/zinc/93/64/13/718936413.db2.gz RJBVKJLBEQMULB-XJKSGUPXSA-N 2 0 368.319 3.227 20 0 FGADRP CC(C)[C@](C)(C[NH3+])NC(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000652612996 718965985 /nfs/dbraw/zinc/96/59/85/718965985.db2.gz HTKHYTDTPYCJGE-IBGZPJMESA-N 2 0 364.559 3.369 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)[C@H]1CCC[NH2+]CC1)c1ccccc1Cl ZINC000653105848 719013124 /nfs/dbraw/zinc/01/31/24/719013124.db2.gz LXTOPPOUMBOWTM-YJBOKZPZSA-N 2 0 351.922 3.229 20 0 FGADRP C[N@H+](Cc1ccc(N2CC[C@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)nc1)C1CC1 ZINC001164619198 719048405 /nfs/dbraw/zinc/04/84/05/719048405.db2.gz BZSKMEWJJNDLGQ-GGAORHGYSA-N 2 0 362.521 3.259 20 0 FGADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]C2CCN(Cc3c(F)cccc3Cl)CC2)C1 ZINC000655806417 719342423 /nfs/dbraw/zinc/34/24/23/719342423.db2.gz UWTKAWJJJPONKT-FZNQNYSPSA-N 2 0 353.913 3.373 20 0 FGADRP COc1ccc(C[NH2+]CC2CC[NH+](C3CCOCC3)CC2)cc1Cl ZINC000657535380 719668040 /nfs/dbraw/zinc/66/80/40/719668040.db2.gz MOUIUYVQWZVARJ-UHFFFAOYSA-N 2 0 352.906 3.329 20 0 FGADRP FC(F)Oc1cccc(C[NH2+]CC2CC[NH+](C3CCOCC3)CC2)c1 ZINC000657535536 719668210 /nfs/dbraw/zinc/66/82/10/719668210.db2.gz ORKLTDFKKARTOG-UHFFFAOYSA-N 2 0 354.441 3.269 20 0 FGADRP Brc1ccccc1C[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000657536477 719668259 /nfs/dbraw/zinc/66/82/59/719668259.db2.gz JWRZJCNGTSYXIN-UHFFFAOYSA-N 2 0 367.331 3.430 20 0 FGADRP C[C@@]1(O)CCC[N@H+](CCCCCCCCC[NH+]2CCC[C@](C)(O)C2)C1 ZINC000781903672 724609758 /nfs/dbraw/zinc/60/97/58/724609758.db2.gz GJSFAPDMVBWCGF-OYRHEFFESA-N 2 0 354.579 3.411 20 0 FGADRP C[C@@H](Cc1ccc(Cl)c(C(F)(F)F)c1)[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000657846722 719719929 /nfs/dbraw/zinc/71/99/29/719719929.db2.gz QAZSOHHMJQSCSW-GXTWGEPZSA-N 2 0 364.839 3.336 20 0 FGADRP C[C@H]([NH2+]CC1(O)CCC(F)(F)CC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000658323955 719786048 /nfs/dbraw/zinc/78/60/48/719786048.db2.gz XGCUXIIMISOLEC-HNNXBMFYSA-N 2 0 356.457 3.218 20 0 FGADRP CC1CC[NH+]([C@H](CNC(=O)NCC2([NH3+])CCCC2)c2cccs2)CC1 ZINC000659427664 719912828 /nfs/dbraw/zinc/91/28/28/719912828.db2.gz QUWFBTIJGQJIOZ-MRXNPFEDSA-N 2 0 364.559 3.092 20 0 FGADRP CC[N@H+](CCC1CCN(C(=O)NCC2([NH3+])CCCC2)CC1)CC(C)C ZINC000659572789 719926122 /nfs/dbraw/zinc/92/61/22/719926122.db2.gz INAPPWMZBPRCBR-UHFFFAOYSA-N 2 0 352.567 3.048 20 0 FGADRP COc1ccc(Cl)cc1NC(=O)CC[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660654137 720090350 /nfs/dbraw/zinc/09/03/50/720090350.db2.gz DMBWYCXADFABJI-IBGZPJMESA-N 2 0 365.905 3.095 20 0 FGADRP CC(C)[N@@H+](Cc1cccc(Br)c1)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662251092 720405210 /nfs/dbraw/zinc/40/52/10/720405210.db2.gz YOUNIVDGWJNCQN-INIZCTEOSA-N 2 0 353.304 3.181 20 0 FGADRP CSc1ccc(NC(=O)[C@H](C)[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)cc1 ZINC000662290169 720409890 /nfs/dbraw/zinc/40/98/90/720409890.db2.gz AGEAVIBENQJKJA-RDJZCZTQSA-N 2 0 361.555 3.447 20 0 FGADRP C[C@H](NC(=O)C[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1)c1ccccc1Cl ZINC000662297889 720412039 /nfs/dbraw/zinc/41/20/39/720412039.db2.gz SSOYQDALPAZTEF-DOTOQJQBSA-N 2 0 363.933 3.229 20 0 FGADRP C[C@@H](NC(=O)C[N@@H+]1CCC[C@@H](C)[C@H]1CCC[NH3+])c1ccc(Cl)cc1 ZINC000662312242 720414272 /nfs/dbraw/zinc/41/42/72/720414272.db2.gz AGTXXGRYIATATG-IIDMSEBBSA-N 2 0 351.922 3.357 20 0 FGADRP C[C@@H]1CCC[N@H+](CC(=O)N(C)Cc2ccc(Cl)s2)[C@@H]1CCC[NH3+] ZINC000662314582 720414526 /nfs/dbraw/zinc/41/45/26/720414526.db2.gz OFNMSYVSUDGGBH-UKRRQHHQSA-N 2 0 357.951 3.199 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)C[NH2+]C(C)C)c1ccc(C(F)(F)F)cc1 ZINC000662413293 720426033 /nfs/dbraw/zinc/42/60/33/720426033.db2.gz WVCMEKCXZYCESQ-MRXNPFEDSA-N 2 0 359.436 3.203 20 0 FGADRP CC(C)C[C@H](C[NH3+])CC(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000662425837 720427203 /nfs/dbraw/zinc/42/72/03/720427203.db2.gz JGLCWGCSENMKDU-IRXDYDNUSA-N 2 0 351.560 3.087 20 0 FGADRP CC(C)C[C@H](C[NH3+])CC(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000662474429 720432276 /nfs/dbraw/zinc/43/22/76/720432276.db2.gz WYYBFIOABVTVJM-FCEWJHQRSA-N 2 0 351.560 3.258 20 0 FGADRP CC[NH+](CC)CCN(Cc1ccc(Cl)cc1)C(=O)C[C@H]1CC[NH2+]C1 ZINC000662654668 720450126 /nfs/dbraw/zinc/45/01/26/720450126.db2.gz DTWSRADYPXQPKA-QGZVFWFLSA-N 2 0 351.922 3.010 20 0 FGADRP C[C@@H](CCNC(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1)[NH+](C)C ZINC000663617800 720530734 /nfs/dbraw/zinc/53/07/34/720530734.db2.gz HNZOZOYKCMAXHX-YJBOKZPZSA-N 2 0 366.937 3.116 20 0 FGADRP C[NH2+]CCCC(=O)N1CCC([NH2+][C@@H](C)c2ccc(F)cc2Cl)CC1 ZINC000665285823 720750121 /nfs/dbraw/zinc/75/01/21/720750121.db2.gz XOSDYLJEFXKXBL-ZDUSSCGKSA-N 2 0 355.885 3.120 20 0 FGADRP CCCC[N@H+](C)CC1CCN(C(=O)N[C@H]2CC[NH+](C(C)(C)C)C2)CC1 ZINC000665557049 720785430 /nfs/dbraw/zinc/78/54/30/720785430.db2.gz LISOETMIXJPLCD-SFHVURJKSA-N 2 0 352.567 3.013 20 0 FGADRP CCC[N@@H+]1CC[C@@H](NC(=O)N(CC[NH+](CC)CC)Cc2cccs2)C1 ZINC000666928959 721001910 /nfs/dbraw/zinc/00/19/10/721001910.db2.gz XZAVFFXZVSHWHW-QGZVFWFLSA-N 2 0 366.575 3.086 20 0 FGADRP CCOc1cc(C[NH2+][C@H]2CC23CC[NH2+]CC3)ccc1OCC(F)(F)F ZINC000666954014 721004673 /nfs/dbraw/zinc/00/46/73/721004673.db2.gz NNSUUQZXZBOVLI-INIZCTEOSA-N 2 0 358.404 3.258 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)N[C@H]1CCC[NH2+]CC1)c1ccccc1Cl ZINC000668649594 721325986 /nfs/dbraw/zinc/32/59/86/721325986.db2.gz WJJVBMBRCZEJEG-YJBOKZPZSA-N 2 0 366.937 3.164 20 0 FGADRP COc1ccc(C[C@H](C)C[N@@H+]2CCO[C@@H](CCC[NH+](C)C)C2)cc1F ZINC000668784551 721356561 /nfs/dbraw/zinc/35/65/61/721356561.db2.gz FHHIVDQFNJCQRO-WMZOPIPTSA-N 2 0 352.494 3.056 20 0 FGADRP O=C(NCC[NH2+]C1CCCCCC1)NC1CC[NH+](C2CCCC2)CC1 ZINC000669518423 721462551 /nfs/dbraw/zinc/46/25/51/721462551.db2.gz ZWEMGFVJZVCDLM-UHFFFAOYSA-N 2 0 350.551 3.005 20 0 FGADRP COC1(C(F)(F)F)CC[NH+](Cc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000669573239 721467426 /nfs/dbraw/zinc/46/74/26/721467426.db2.gz HSHWREMWAXXNBV-UHFFFAOYSA-N 2 0 360.420 3.170 20 0 FGADRP C[NH+](C)CCOc1ccc(C[NH2+]C[C@H](CO)c2ccc(Cl)cc2)cc1 ZINC000673616564 721668038 /nfs/dbraw/zinc/66/80/38/721668038.db2.gz FCHZMKXMDFJLPC-GOSISDBHSA-N 2 0 362.901 3.146 20 0 FGADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)NC[C@H](c1ccsc1)[NH+](CC)CC ZINC000675178229 721735826 /nfs/dbraw/zinc/73/58/26/721735826.db2.gz VAKSPHHTOWTYQD-ZWKOTPCHSA-N 2 0 366.575 3.305 20 0 FGADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000675191747 721737222 /nfs/dbraw/zinc/73/72/22/721737222.db2.gz AXBBDTBFRIGXJP-ZWKOTPCHSA-N 2 0 366.937 3.116 20 0 FGADRP C[C@@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)c1cccc(OC(F)(F)F)c1 ZINC000675742747 721771789 /nfs/dbraw/zinc/77/17/89/721771789.db2.gz WKOLKSKTYYHPOV-CQSZACIVSA-N 2 0 359.436 3.262 20 0 FGADRP C[C@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)c1ccccc1OC(F)(F)F ZINC000675743099 721771825 /nfs/dbraw/zinc/77/18/25/721771825.db2.gz ZMCFRQJRHTZLHP-AWEZNQCLSA-N 2 0 359.436 3.262 20 0 FGADRP C[C@H](C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)Oc1cccc(Br)c1 ZINC000677241229 721875926 /nfs/dbraw/zinc/87/59/26/721875926.db2.gz NUFCYBLATDCCIN-FVQBIDKESA-N 2 0 353.304 3.433 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@H](OC)c2ccc(F)cc2)[C@H](C)C1 ZINC000678594677 721966174 /nfs/dbraw/zinc/96/61/74/721966174.db2.gz JHBPJBMWYUBQTK-LSTHTHJFSA-N 2 0 352.494 3.240 20 0 FGADRP C(CC1CC[NH+](Cc2nc3c(s2)CCCC3)CC1)C[NH+]1CCOCC1 ZINC000679582090 722036000 /nfs/dbraw/zinc/03/60/00/722036000.db2.gz AAKZIQIAZRHTQZ-UHFFFAOYSA-N 2 0 363.571 3.346 20 0 FGADRP c1ccc(N2CC[NH+](Cc3ccccc3C[NH2+]C3CSC3)CC2)cc1 ZINC000679625317 722037078 /nfs/dbraw/zinc/03/70/78/722037078.db2.gz RRAWHIUWPLNHOY-UHFFFAOYSA-N 2 0 353.535 3.214 20 0 FGADRP CN(C)c1cc[nH+]c(NCc2c(Cl)cccc2N2CC[NH+](C)CC2)c1 ZINC000680020111 722061012 /nfs/dbraw/zinc/06/10/12/722061012.db2.gz JYLLKFCIINLIGX-UHFFFAOYSA-N 2 0 359.905 3.165 20 0 FGADRP C[C@H]1C[C@@H]([NH2+]CC2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)CC[N@@H+]1C ZINC000720623445 722419416 /nfs/dbraw/zinc/41/94/16/722419416.db2.gz MBFLNOAIBGVGJB-IEBNGJLISA-N 2 0 351.535 3.237 20 0 FGADRP C[C@](O)(C[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(F)(F)C(F)(F)F ZINC000724115762 722420922 /nfs/dbraw/zinc/42/09/22/722420922.db2.gz NJDRXQRYJWWFDT-GJZGRUSLSA-N 2 0 366.374 3.047 20 0 FGADRP CC(C)[C@H](C)[N@@H+]1Cc2ccc(NC(=S)NC3CC[NH+](C)CC3)cc2C1 ZINC000726496569 722435654 /nfs/dbraw/zinc/43/56/54/722435654.db2.gz ZIQYEICITHCGLR-HNNXBMFYSA-N 2 0 360.571 3.427 20 0 FGADRP CC[NH+](CC)Cc1ccccc1CNC(=S)NCC(C)(C)C[NH+](C)C ZINC000727070389 722440805 /nfs/dbraw/zinc/44/08/05/722440805.db2.gz VGJMMICCAJHKEH-UHFFFAOYSA-N 2 0 364.603 3.080 20 0 FGADRP CC[N@@H+]1CCC[C@H](C[NH2+]CCC2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000727469574 722444872 /nfs/dbraw/zinc/44/48/72/722444872.db2.gz ZMSSIPVBUDOZHH-GOSISDBHSA-N 2 0 353.551 3.345 20 0 FGADRP C[C@H](CNC(=O)N(CC[NH+](C)C)CC1CCCCC1)[NH+]1CCCCC1 ZINC000738982185 722532075 /nfs/dbraw/zinc/53/20/75/722532075.db2.gz CDHKIHZXOHOZCO-GOSISDBHSA-N 2 0 352.567 3.014 20 0 FGADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)/C=C/c1ccc(Cl)s1 ZINC000747225800 722637408 /nfs/dbraw/zinc/63/74/08/722637408.db2.gz AAMZEYUXUPIWSX-CSKARUKUSA-N 2 0 357.951 3.147 20 0 FGADRP C/C(=C/c1ccc(Cl)cc1)C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000759088425 722999282 /nfs/dbraw/zinc/99/92/82/722999282.db2.gz DGRPWCWMPXPQJE-MSUUIHNZSA-N 2 0 365.949 3.475 20 0 FGADRP COc1c(C)cc([C@H](C)[NH2+][C@H](C)CCN2CC[NH+](C)CC2)cc1Cl ZINC000796945095 723660289 /nfs/dbraw/zinc/66/02/89/723660289.db2.gz LBZPLFQEXSLESI-CVEARBPZSA-N 2 0 353.938 3.334 20 0 FGADRP CC(C)CC[NH+]1CCC(C[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000769400731 723684466 /nfs/dbraw/zinc/68/44/66/723684466.db2.gz JDSMCRGBKDZGIM-SFHVURJKSA-N 2 0 353.551 3.344 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[C@@H]3SCCS[C@@H]23)[C@H](C)C1 ZINC000773133645 723777349 /nfs/dbraw/zinc/77/73/49/723777349.db2.gz HLLYHHNYLKGNAY-WKULXVSPSA-N 2 0 358.617 3.093 20 0 FGADRP C[NH+](C)CCOc1ccc(CC[NH2+][C@@H]2CC[C@H]3SCCS[C@H]23)cc1 ZINC000775387054 723987367 /nfs/dbraw/zinc/98/73/67/723987367.db2.gz VXMAVEJCLOUBSJ-GUDVDZBRSA-N 2 0 366.596 3.139 20 0 FGADRP C[NH+](C)CCOc1ccc(CC[NH2+][C@@H]2CC[C@@H]3SCCS[C@@H]23)cc1 ZINC000775387057 723987441 /nfs/dbraw/zinc/98/74/41/723987441.db2.gz VXMAVEJCLOUBSJ-QYZOEREBSA-N 2 0 366.596 3.139 20 0 FGADRP C[C@H](C(=O)NCc1ccccc1Cl)[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000799178912 723995496 /nfs/dbraw/zinc/99/54/96/723995496.db2.gz QRSAKSSPIVSJNV-MRXNPFEDSA-N 2 0 363.933 3.153 20 0 FGADRP C[C@@H](NC(=O)C[N@@H+]1CCCC2(CC[NH+](C)CC2)C1)c1ccccc1Cl ZINC000799178330 723995602 /nfs/dbraw/zinc/99/56/02/723995602.db2.gz MFMJTCGIDIHKMT-MRXNPFEDSA-N 2 0 363.933 3.325 20 0 FGADRP CS[C@@H]1CC[C@H]([NH2+]Cc2c(Cl)cccc2N2CC[NH+](C)CC2)C1 ZINC000776700239 724172248 /nfs/dbraw/zinc/17/22/48/724172248.db2.gz LDQWUDLOILHJLA-LSDHHAIUSA-N 2 0 353.963 3.466 20 0 FGADRP CC(C)[N@H+](C)Cc1cccc(C[NH2+]Cc2cc(Br)nn2C)c1 ZINC000785435353 724911912 /nfs/dbraw/zinc/91/19/12/724911912.db2.gz BESBYMXZPKTFMH-UHFFFAOYSA-N 2 0 365.319 3.313 20 0 FGADRP Cn1c2ccc(C[N@H+](C)Cc3ccc(C[NH+](C)C)cc3)cc2sc1=O ZINC000809738784 725264143 /nfs/dbraw/zinc/26/41/43/725264143.db2.gz JQJBYNPHLNZURH-UHFFFAOYSA-N 2 0 355.507 3.294 20 0 FGADRP CCC[NH+]1CCC([N@@H+]2C[C@@H](C)[C@](C)(CNC(=O)OC(C)(C)C)C2)CC1 ZINC000810246017 725299453 /nfs/dbraw/zinc/29/94/53/725299453.db2.gz LFEJVIHCDBFPIH-OXQOHEQNSA-N 2 0 353.551 3.344 20 0 FGADRP C[N@H+](CCCOC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1)Cc1ccccc1 ZINC000810627608 725318616 /nfs/dbraw/zinc/31/86/16/725318616.db2.gz UTJUVCHZUXODGO-FQEVSTJZSA-N 2 0 350.478 3.264 20 0 FGADRP C[N@H+](CCc1ccc(F)cc1Cl)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000811506800 725370729 /nfs/dbraw/zinc/37/07/29/725370729.db2.gz GGPMYPQRQUZOML-GOSISDBHSA-N 2 0 353.913 3.122 20 0 FGADRP O[C@H](C[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ccc(Cl)cc1 ZINC000817898631 727287111 /nfs/dbraw/zinc/28/71/11/727287111.db2.gz IJZIKWCTOXIXHD-NLWGTHIKSA-N 2 0 358.869 3.219 20 0 FGADRP CCOC(=O)C1([C@H](C)[NH2+][C@@H](C)Cc2ccccc2Cl)CC[NH2+]CC1 ZINC000817908012 727287773 /nfs/dbraw/zinc/28/77/73/727287773.db2.gz LFQCYSNCWPGUHQ-GJZGRUSLSA-N 2 0 352.906 3.182 20 0 FGADRP C[C@H]([NH2+]C[C@H]1CC[C@H](C[NH3+])CC1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000817975118 727290141 /nfs/dbraw/zinc/29/01/41/727290141.db2.gz JBLYJHVNLBCUQE-IHRRRGAJSA-N 2 0 360.470 3.099 20 0 FGADRP C[NH+](C)CCCOc1ccc(C[NH2+]C[C@H](O)c2ccccc2Cl)cc1 ZINC000819014973 727338240 /nfs/dbraw/zinc/33/82/40/727338240.db2.gz CAZVBHLVIFLRLV-FQEVSTJZSA-N 2 0 362.901 3.494 20 0 FGADRP C[C@@H]([NH2+]C[C@@H](O)c1ccc(F)c(Br)c1)C(C)(C)C[NH+](C)C ZINC000819102082 727347404 /nfs/dbraw/zinc/34/74/04/727347404.db2.gz GWXSYULFNXQSPJ-IAQYHMDHSA-N 2 0 361.299 3.188 20 0 FGADRP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]C[C@H](O)COc2ccc(Cl)c(Cl)c2)C1 ZINC000819133369 727350937 /nfs/dbraw/zinc/35/09/37/727350937.db2.gz OWTYGIPPRQHRKG-MJBXVCDLSA-N 2 0 361.313 3.196 20 0 FGADRP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+]C[C@H](O)c2ccccc2Br)C1 ZINC000819181793 727355494 /nfs/dbraw/zinc/35/54/94/727355494.db2.gz BAWMKILPXJPTKS-YJBOKZPZSA-N 2 0 369.347 3.440 20 0 FGADRP C[C@H]1CC[C@@H]([NH2+]C2CC([NH+]3CCCCC3)C2)CN1C(=O)OC(C)(C)C ZINC000822476128 729179313 /nfs/dbraw/zinc/17/93/13/729179313.db2.gz HTVANHWQQSCOHR-KNXWPPODSA-N 2 0 351.535 3.381 20 0 FGADRP CCC[NH+]1CCC([N@H+](C)C[C@@]23C[C@@H]2CN(C(=O)OC(C)(C)C)C3)CC1 ZINC000823414254 729278205 /nfs/dbraw/zinc/27/82/05/729278205.db2.gz SWMCLKNAUAJULG-OXQOHEQNSA-N 2 0 351.535 3.050 20 0 FGADRP CC(C)[N@@H+]1CC[C@H](C[NH2+]C[C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)C1 ZINC000824384195 729335229 /nfs/dbraw/zinc/33/52/29/729335229.db2.gz ZGKSZFDHZOXSDX-RCCFBDPRSA-N 2 0 353.551 3.342 20 0 FGADRP C[C@@H]([NH2+]C1CC([NH+]2CCCCC2)C1)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000834789618 729834460 /nfs/dbraw/zinc/83/44/60/729834460.db2.gz GGNJJKSCMWJWHE-CPFNUKBASA-N 2 0 351.535 3.381 20 0 FGADRP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)NCCCCCCC[NH+]2CCCC2)C1 ZINC000838504386 730125294 /nfs/dbraw/zinc/12/52/94/730125294.db2.gz YMDTUOARSRWZLG-IBGZPJMESA-N 2 0 352.567 3.157 20 0 FGADRP CC[C@@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000840810342 730177669 /nfs/dbraw/zinc/17/76/69/730177669.db2.gz RWAWHJQBEIXLAU-KURKYZTESA-N 2 0 353.551 3.486 20 0 FGADRP C[C@@H]([NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1)c1ccc(Cl)nc1 ZINC000840885386 730188179 /nfs/dbraw/zinc/18/81/79/730188179.db2.gz XQYGFVLWCRYSHK-MRXNPFEDSA-N 2 0 359.901 3.413 20 0 FGADRP CCCCn1nc(C)c(C[NH+]2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)c1Cl ZINC000841103683 730211671 /nfs/dbraw/zinc/21/16/71/730211671.db2.gz IEXLXAKZUJMDJM-SJLPKXTDSA-N 2 0 368.953 3.363 20 0 FGADRP C[C@@H]1C[C@H]([NH2+]CC2CC[NH+](C3CC3)CC2)CN(C(=O)OC(C)(C)C)C1 ZINC000843405138 730616097 /nfs/dbraw/zinc/61/60/97/730616097.db2.gz BHDBIWUDODLTIO-WBVHZDCISA-N 2 0 351.535 3.096 20 0 FGADRP [NH2+]=C(NCCc1cccs1)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000849095671 731228641 /nfs/dbraw/zinc/22/86/41/731228641.db2.gz ITSGWNOTRCQRIW-UHFFFAOYSA-N 2 0 374.476 3.210 20 0 FGADRP C[C@@H](NC(=[NH2+])NC[C@H]1CCC[N@@H+]1CCCO)c1ccc(Cl)cc1Cl ZINC000849112952 731230617 /nfs/dbraw/zinc/23/06/17/731230617.db2.gz GFVIXMXNALNWEA-TZMCWYRMSA-N 2 0 373.328 3.015 20 0 FGADRP c1cc(OCC[NH+]2CCCC2)ccc1C[NH2+]CCC1SCCS1 ZINC000850407538 731353445 /nfs/dbraw/zinc/35/34/45/731353445.db2.gz FFVZXWWXTSTSLH-UHFFFAOYSA-N 2 0 352.569 3.447 20 0 FGADRP Cc1nn(CC(C)C)c(Cl)c1[C@@H]1CCC[N@@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000852745974 731629310 /nfs/dbraw/zinc/62/93/10/731629310.db2.gz FYHAFPCQULJWMP-HOTGVXAUSA-N 2 0 366.937 3.159 20 0 FGADRP CC(C)(C)[N@@H+]1CC[C@H](NC(=O)NCCCCCCC[NH+]2CCCC2)C1 ZINC000853819859 731758595 /nfs/dbraw/zinc/75/85/95/731758595.db2.gz CVWMGZYAVJPNIG-SFHVURJKSA-N 2 0 352.567 3.205 20 0 FGADRP CC[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3sc(C)nc3C)C2)ccn1 ZINC000856555040 732038266 /nfs/dbraw/zinc/03/82/66/732038266.db2.gz XZPVYPHIYBIXHE-GOSISDBHSA-N 2 0 360.527 3.260 20 0 FGADRP CCOC(=O)C1([C@H](C)[NH2+][C@H]2CCc3ccc(Cl)cc32)CC[NH2+]CC1 ZINC000863549088 732976039 /nfs/dbraw/zinc/97/60/39/732976039.db2.gz ZAEXQSWRQJYTSC-GUYCJALGSA-N 2 0 350.890 3.238 20 0 FGADRP CC(C)C[NH+]1CCC([NH2+]C[C@@H](CC(F)F)NC(=O)OC(C)(C)C)CC1 ZINC000865410141 733193171 /nfs/dbraw/zinc/19/31/71/733193171.db2.gz JWBJYQMFVAYACA-OAHLLOKOSA-N 2 0 363.493 3.245 20 0 FGADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H](C)c2cc3c(ccnc3Cl)o2)CC1 ZINC000866233141 733327607 /nfs/dbraw/zinc/32/76/07/733327607.db2.gz RPVZAUQVHQYDLO-KGLIPLIRSA-N 2 0 350.894 3.158 20 0 FGADRP C[C@@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1cc2c(ccnc2Cl)o1 ZINC000866264717 733330815 /nfs/dbraw/zinc/33/08/15/733330815.db2.gz DVQYVURBUGZVKX-ZIAGYGMSSA-N 2 0 362.905 3.300 20 0 FGADRP CC[C@H](CC1CCCCC1)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870021957 733802022 /nfs/dbraw/zinc/80/20/22/733802022.db2.gz WSSICEFUMMTKRT-VAMGGRTRSA-N 2 0 351.579 3.181 20 0 FGADRP C[N@@H+]1CC[C@H](CNC(=O)[C@H]2CC[C@H]([NH3+])CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000870911027 733901503 /nfs/dbraw/zinc/90/15/03/733901503.db2.gz PYUJYBWPUIILRG-DRRHNWJESA-N 2 0 367.896 3.106 20 0 FGADRP FC(F)(F)c1ccn([C@@H]2CCC[N@H+](Cc3cc4c(s3)CC[NH2+]C4)C2)n1 ZINC000873207885 735737817 /nfs/dbraw/zinc/73/78/17/735737817.db2.gz FLRIOGGVYSKOPQ-CYBMUJFWSA-N 2 0 370.444 3.446 20 0 FGADRP C[C@H]([NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2)c1ccc(Br)cc1 ZINC000873289087 735746538 /nfs/dbraw/zinc/74/65/38/735746538.db2.gz DWKMSSCSVVRVSV-XJKSGUPXSA-N 2 0 353.304 3.258 20 0 FGADRP Brc1cc2c(s1)CC[C@H]2[NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873294765 735747426 /nfs/dbraw/zinc/74/74/26/735747426.db2.gz ZMGIQVRTBRZYRR-WCQYABFASA-N 2 0 371.344 3.246 20 0 FGADRP CN(CCCCCC[NH3+])C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000874432573 735869092 /nfs/dbraw/zinc/86/90/92/735869092.db2.gz NHWJKRYNEQUJEH-INIZCTEOSA-N 2 0 352.548 3.046 20 0 FGADRP O=C(C[NH2+]C1(C2CC2)CCC1)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000887147601 739332193 /nfs/dbraw/zinc/33/21/93/739332193.db2.gz TXEGQVNNSWMCPF-UHFFFAOYSA-N 2 0 359.539 3.096 20 0 FGADRP C[N@H+](C[C@H](CC(F)(F)F)NC(=O)OC(C)(C)C)CC1CC[NH+](C)CC1 ZINC000876690559 736132056 /nfs/dbraw/zinc/13/20/56/736132056.db2.gz NBBYZXKMECKNIY-AWEZNQCLSA-N 2 0 367.456 3.106 20 0 FGADRP CCO[P@@](C)(=O)CC[C@@H](C)[NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000877065306 736183066 /nfs/dbraw/zinc/18/30/66/736183066.db2.gz YPADNWSIIVNZBJ-IQGLISFBSA-N 2 0 373.522 3.249 20 0 FGADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](C[C@@H]2CC(C)(C)OC2(C)C)CC1 ZINC000878020773 736758637 /nfs/dbraw/zinc/75/86/37/736758637.db2.gz QDLHPPVVALVMIB-OTWHNJEPSA-N 2 0 351.579 3.071 20 0 FGADRP CC(C)[N@H+](C)Cc1cccc(C[NH2+]Cc2c3c(nn2C)CCSC3)c1 ZINC000882932517 737504529 /nfs/dbraw/zinc/50/45/29/737504529.db2.gz ILQXJVRHPXWOQD-UHFFFAOYSA-N 2 0 358.555 3.339 20 0 FGADRP CCC1(NC(=O)OC(C)(C)C)CC[NH+]([C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000883279929 737545553 /nfs/dbraw/zinc/54/55/53/737545553.db2.gz LDKPUUCITLOQFB-IRXDYDNUSA-N 2 0 351.535 3.383 20 0 FGADRP CCOC(=O)c1sc([C@H]2CC[N@H+](CCCC3CC[NH2+]CC3)C2)nc1C ZINC000883448304 737567373 /nfs/dbraw/zinc/56/73/73/737567373.db2.gz AGRLAMLSJRCUNH-INIZCTEOSA-N 2 0 365.543 3.197 20 0 FGADRP C[C@@H]1C[C@]2(CC[C@H](C[NH2+]C3CC[NH+]([C@@H]4CCCC[C@H]4C)CC3)O2)CO1 ZINC000886762167 739293906 /nfs/dbraw/zinc/29/39/06/739293906.db2.gz SHNADOJJMIFGDR-XGAGZNTDSA-N 2 0 350.547 3.346 20 0 FGADRP C[NH+]1CCC(C[NH+]2CCC(C(=O)c3c(F)cc(F)cc3F)CC2)CC1 ZINC000892049316 739961546 /nfs/dbraw/zinc/96/15/46/739961546.db2.gz HKFLJLZDUUUCOH-UHFFFAOYSA-N 2 0 354.416 3.340 20 0 FGADRP C[NH+]1CCC(N2CC[C@@H]([NH2+]Cc3cc4ccnc(Cl)c4s3)C2)CC1 ZINC000894253507 742258467 /nfs/dbraw/zinc/25/84/67/742258467.db2.gz CVQRZLKCPMLOKD-CQSZACIVSA-N 2 0 364.946 3.208 20 0 FGADRP C[N@H+](C[C@@H](CC(F)F)NC(=O)OC(C)(C)C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000894748500 742326972 /nfs/dbraw/zinc/32/69/72/742326972.db2.gz MVEHUYCBEPFNDJ-JKXDFHQYSA-N 2 0 361.477 3.092 20 0 FGADRP C[N@H+](CCCN1CC[NH+](C)CC1)Cc1cc2ccnc(Cl)c2s1 ZINC000894769269 742331481 /nfs/dbraw/zinc/33/14/81/742331481.db2.gz APIVKMPLUUMNSX-UHFFFAOYSA-N 2 0 352.935 3.019 20 0 FGADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCCC[N@H+](C)C2)C[C@@H]1C(F)(F)F ZINC000895587366 742430177 /nfs/dbraw/zinc/43/01/77/742430177.db2.gz QBJJSHZDJLZRPY-JONQDZQNSA-N 2 0 364.452 3.218 20 0 FGADRP [NH3+]CCCC[C@H]([NH2+]CCC(=O)N1CCCCC1)c1ccc(F)cc1F ZINC000902315809 743730884 /nfs/dbraw/zinc/73/08/84/743730884.db2.gz NHSACPLEJROKMZ-SFHVURJKSA-N 2 0 353.457 3.127 20 0 FGADRP CCC[C@H]([NH2+][C@@H]1CC[NH2+]CC(C)(C)C1)C(=O)N1CCc2sccc2C1 ZINC000902346976 743734624 /nfs/dbraw/zinc/73/46/24/743734624.db2.gz NSABPPSYDZKEHX-SJORKVTESA-N 2 0 363.571 3.169 20 0 FGADRP CC(C)C[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)C1CCOCC1 ZINC000902880673 743783430 /nfs/dbraw/zinc/78/34/30/743783430.db2.gz LITWQPYBZOXFJM-ACRUOGEOSA-N 2 0 352.563 3.185 20 0 FGADRP O[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)c1ccccc1C(F)(F)F ZINC000903082327 743803190 /nfs/dbraw/zinc/80/31/90/743803190.db2.gz YQOWCEGSBKEYCY-BDCDKBNASA-N 2 0 354.416 3.486 20 0 FGADRP [NH3+]CC1([C@@H]2CCCC[N@@H+]2CCC(=O)N2CCc3sccc3C2)CCC1 ZINC000903813831 743885749 /nfs/dbraw/zinc/88/57/49/743885749.db2.gz IVLSDRXGBXUWFK-SFHVURJKSA-N 2 0 361.555 3.006 20 0 FGADRP Clc1ccccc1C[C@@H]1CCC[N@@H+]1Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903885665 743892420 /nfs/dbraw/zinc/89/24/20/743892420.db2.gz IOTJOYQRTMCQLO-DLBZAZTESA-N 2 0 359.905 3.063 20 0 FGADRP C[C@H]1C[N@H+](Cc2cnnn2[C@@H]2CCC[NH2+]C2)CCc2ccc(Cl)cc21 ZINC000903932831 743900510 /nfs/dbraw/zinc/90/05/10/743900510.db2.gz WECAQIZCLFNTDQ-WMLDXEAASA-N 2 0 359.905 3.018 20 0 FGADRP OC[C@H]([NH2+]Cc1cccc2c1CC[NH2+]C2)c1cccc(C(F)(F)F)c1 ZINC000903935952 743901041 /nfs/dbraw/zinc/90/10/41/743901041.db2.gz WLBNLSRZTWZJIH-SFHVURJKSA-N 2 0 350.384 3.174 20 0 FGADRP Cc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]C[C@H]1C[NH2+]CCC1(F)F ZINC000903957602 743905433 /nfs/dbraw/zinc/90/54/33/743905433.db2.gz RJRHZQQQHGLKCG-CHWSQXEVSA-N 2 0 359.848 3.200 20 0 FGADRP COc1ccc(OCc2nc(C[NH2+]CC[C@@H]3C[NH2+]C[C@H]3C)cs2)cc1 ZINC000903974483 743907044 /nfs/dbraw/zinc/90/70/44/743907044.db2.gz OQUVKUXIXWNUEJ-HUUCEWRRSA-N 2 0 361.511 3.066 20 0 FGADRP CCOc1cc(C[NH+]2CCC3(CO[C@H](C[NH3+])C3)CC2)cc(Cl)c1OC ZINC000904388926 743951195 /nfs/dbraw/zinc/95/11/95/743951195.db2.gz DQYBPDRDCRLWGW-HNNXBMFYSA-N 2 0 368.905 3.077 20 0 FGADRP Brc1cncc(C[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000904475105 743957071 /nfs/dbraw/zinc/95/70/71/743957071.db2.gz YHRORUMLGGHNIF-AEFFLSMTSA-N 2 0 374.282 3.190 20 0 FGADRP CC1([NH+]2CCC2)CCC([NH2+]C[C@@H](O)c2cccc(Br)c2)CC1 ZINC000905599792 744035259 /nfs/dbraw/zinc/03/52/59/744035259.db2.gz CAKMMEMNUVWEBS-LXPRWKDFSA-N 2 0 367.331 3.479 20 0 FGADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CC[C@@H](CNC(=O)OC(C)(C)C)C2)C1 ZINC000921688963 758770953 /nfs/dbraw/zinc/77/09/53/758770953.db2.gz MVLBPIYLXOKYRU-KZNAEPCWSA-N 2 0 353.551 3.390 20 0 FGADRP CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1nc(C(C)(C)C)cs1)C2 ZINC000922389306 758910570 /nfs/dbraw/zinc/91/05/70/758910570.db2.gz IPXJNQSUEAXXNG-GNSPCKGOSA-N 2 0 351.560 3.010 20 0 FGADRP CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]Cc3cc(F)c(F)c(F)c3)C2)[C@H]1C(C)C ZINC000922395338 758913551 /nfs/dbraw/zinc/91/35/51/758913551.db2.gz VMRVIQOTTLAANZ-PSBWJHGTSA-N 2 0 356.432 3.063 20 0 FGADRP O[C@H](Cc1ccc(C(F)(F)F)cc1)CN1CCC([NH2+]CC2CC2)CC1 ZINC000923291225 759095836 /nfs/dbraw/zinc/09/58/36/759095836.db2.gz CBLLXVIIHOFMME-GOSISDBHSA-N 2 0 356.432 3.073 20 0 FGADRP Cc1nc(C[NH+]2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)sc1C(C)(C)C ZINC000923374871 759108170 /nfs/dbraw/zinc/10/81/70/759108170.db2.gz FBQZLKCWZVFZOH-WBVHZDCISA-N 2 0 351.560 3.467 20 0 FGADRP COC(=O)c1ccc(-c2nc(C[N@@H+]3CC[C@@H](C[NH3+])[C@H](C)C3)cs2)cc1 ZINC000923499022 759131828 /nfs/dbraw/zinc/13/18/28/759131828.db2.gz QELHUEXAJCSHBJ-CJNGLKHVSA-N 2 0 359.495 3.013 20 0 FGADRP C[C@H]1C[N@H+](Cc2nc(-c3ccc(C(F)(F)F)cc3)no2)CC[C@@H]1C[NH3+] ZINC000923499975 759133528 /nfs/dbraw/zinc/13/35/28/759133528.db2.gz PIQWNJYFOBUYFP-WCQYABFASA-N 2 0 354.376 3.172 20 0 FGADRP C[C@@H]1C[N@H+](Cc2nc(-c3ccc(C(F)(F)F)cc3)no2)CC[C@@H]1C[NH3+] ZINC000923499974 759133741 /nfs/dbraw/zinc/13/37/41/759133741.db2.gz PIQWNJYFOBUYFP-DGCLKSJQSA-N 2 0 354.376 3.172 20 0 FGADRP C[C@H]([NH2+]CCCS(=O)(=O)c1ccccc1)c1cccc(C[NH+](C)C)c1 ZINC000924808148 759395423 /nfs/dbraw/zinc/39/54/23/759395423.db2.gz YTDGTDOCRPAKSF-KRWDZBQOSA-N 2 0 360.523 3.263 20 0 FGADRP COCC[N@H+](C)CCOc1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)S3)c1 ZINC000924933568 759419779 /nfs/dbraw/zinc/41/97/79/759419779.db2.gz WCBCXWVYVCZJLD-CTXDPNEZSA-N 2 0 364.555 3.160 20 0 FGADRP C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1[NH2+][C@H]1CCN(c3ccccc3Br)C1)[NH2+]2 ZINC000925479969 759495481 /nfs/dbraw/zinc/49/54/81/759495481.db2.gz TVIOIFOAVAGBEW-PYOKUCOHSA-N 2 0 364.331 3.146 20 0 FGADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1nnc2c(Cl)cc(C(F)(F)F)cn12 ZINC000925589270 759510227 /nfs/dbraw/zinc/51/02/27/759510227.db2.gz GGNSHSFIPYDGHO-FOCQTFQBSA-N 2 0 373.810 3.007 20 0 FGADRP C[C@@H]([NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000925849737 759557364 /nfs/dbraw/zinc/55/73/64/759557364.db2.gz KSZJHKILBHPHNP-YIYPIFLZSA-N 2 0 368.930 3.168 20 0 FGADRP C[C@@H]([NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ccc(SC(F)F)cc1 ZINC000925850607 759558543 /nfs/dbraw/zinc/55/85/43/759558543.db2.gz KHVHNNHHHZLSDE-OCCSQVGLSA-N 2 0 370.465 3.337 20 0 FGADRP C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+]C[C@@H]1CC[C@H]([NH3+])C1 ZINC000925877345 759564515 /nfs/dbraw/zinc/56/45/15/759564515.db2.gz PDTCDTWYKDVIFO-UPJWGTAASA-N 2 0 359.392 3.019 20 0 FGADRP Cc1ccc(NC(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)c(Cl)c1 ZINC000925900143 759571024 /nfs/dbraw/zinc/57/10/24/759571024.db2.gz UHKBGTNEBSFROY-IYBDPMFKSA-N 2 0 362.905 3.081 20 0 FGADRP Cc1cc(NC(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)ccc1Cl ZINC000926173729 759668456 /nfs/dbraw/zinc/66/84/56/759668456.db2.gz DZZIYHGKGRACAD-CALCHBBNSA-N 2 0 362.905 3.081 20 0 FGADRP C[C@H]([NH2+]CC1CCC(S(C)(=O)=O)CC1)c1cccc(C[NH+](C)C)c1 ZINC000926878925 759835338 /nfs/dbraw/zinc/83/53/38/759835338.db2.gz NKJZIADPTHHJKP-LYGPFTKASA-N 2 0 352.544 3.002 20 0 FGADRP CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+][C@@H]3CCc4c3nccc4Cl)C2)[C@@H]1C(C)C ZINC000926881270 759836628 /nfs/dbraw/zinc/83/66/28/759836628.db2.gz SPHUJNBLWXGACN-QKMNUUQDSA-N 2 0 363.933 3.182 20 0 FGADRP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)C2)[C@H]2CCC[C@@H]21 ZINC000927124892 759899701 /nfs/dbraw/zinc/89/97/01/759899701.db2.gz RFGYISHGIVZNQC-WKULXVSPSA-N 2 0 351.535 3.142 20 0 FGADRP C[NH+](C)[C@@H](CNC(=O)c1ccc(C[NH+]2CCCCC2)o1)c1cccs1 ZINC000929336947 760364093 /nfs/dbraw/zinc/36/40/93/760364093.db2.gz WTDGIEFWKQLHHS-INIZCTEOSA-N 2 0 361.511 3.360 20 0 FGADRP C[N@H+](CCSc1ccncc1)C1CCN(CCc2ccccn2)CC1 ZINC000929798896 760458559 /nfs/dbraw/zinc/45/85/59/760458559.db2.gz SEFUWZZSEKFKNJ-UHFFFAOYSA-N 2 0 356.539 3.208 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](C[C@@H](O)CCC2(O)CCC2)CC1 ZINC000929841084 760468172 /nfs/dbraw/zinc/46/81/72/760468172.db2.gz KBJFDBKFBPSICY-QUCCMNQESA-N 2 0 352.563 3.019 20 0 FGADRP C[C@H](CNC(=O)C[NH2+][C@@H](C)c1ccsc1)[NH2+][C@H](C)c1ccsc1 ZINC000930344945 760584420 /nfs/dbraw/zinc/58/44/20/760584420.db2.gz FYJXNWFOMPZYRI-HZSPNIEDSA-N 2 0 351.541 3.316 20 0 FGADRP C[N@H+](C[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000930460009 760616360 /nfs/dbraw/zinc/61/63/60/760616360.db2.gz KJHHWXXZEPDLSO-WXCOAYGQSA-N 2 0 351.535 3.237 20 0 FGADRP C[C@@H]1[C@H](C(=O)N2CCCC[C@H]2C[NH2+]Cc2ccccc2Cl)CC[N@@H+]1C ZINC000960007061 762730897 /nfs/dbraw/zinc/73/08/97/762730897.db2.gz AFLGKIIXCYFIGP-BPQIPLTHSA-N 2 0 363.933 3.151 20 0 FGADRP C[C@@H]1[C@H](C(=O)N2CCC([C@H]3CCC[NH+](C/C=C/Cl)C3)CC2)CC[N@@H+]1C ZINC000961373271 762746860 /nfs/dbraw/zinc/74/68/60/762746860.db2.gz NMFNAEPXAOTCIG-UTUZXDLFSA-N 2 0 367.965 3.030 20 0 FGADRP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]([NH2+]Cc3cc(C)sc3C)C2)CC[N@@H+]1C ZINC000999200001 765145304 /nfs/dbraw/zinc/14/53/04/765145304.db2.gz KAJHCHSVLPYZHP-CEXWTWQISA-N 2 0 363.571 3.176 20 0 FGADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H]([NH2+][C@H](C)c3ccc(Cl)cc3)C2)CC[N@@H+]1C ZINC001020174902 765866948 /nfs/dbraw/zinc/86/69/48/765866948.db2.gz XCCSCBIWSWCQSJ-QSGLGXSPSA-N 2 0 363.933 3.368 20 0 FGADRP CC[C@@H]1[C@@H](C(=O)N2CC[C@H](C[NH2+]Cc3cc(C)sc3C)C2)CC[N@@H+]1C ZINC001026855740 766083570 /nfs/dbraw/zinc/08/35/70/766083570.db2.gz MOPNBXUQUAMQNN-NZSAHSFTSA-N 2 0 363.571 3.033 20 0 FGADRP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CC[NH+](Cc3sccc3Cl)C2)CC[N@@H+]1C ZINC001028551408 766124454 /nfs/dbraw/zinc/12/44/54/766124454.db2.gz OLSYTGZOQZKNCL-OFQRWUPVSA-N 2 0 369.962 3.070 20 0 FGADRP Cc1cccc(Cl)c1C[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001033090457 766204922 /nfs/dbraw/zinc/20/49/22/766204922.db2.gz AZWIPHMSUHWIMQ-IXDOHACOSA-N 2 0 363.933 3.021 20 0 FGADRP C[C@@H]1[C@H](C(=O)N[C@@H]2CCCC[NH+](Cc3ccc(Cl)cc3)C2)CC[N@@H+]1C ZINC001034214968 766232735 /nfs/dbraw/zinc/23/27/35/766232735.db2.gz SMULSQYBCDXBNB-ATZDWAIDSA-N 2 0 363.933 3.151 20 0 FGADRP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]2C[NH2+]Cc2ccc(Cl)cc2)CC[N@@H+]1C ZINC001045044574 766505721 /nfs/dbraw/zinc/50/57/21/766505721.db2.gz NWIRTHILSQDTSZ-GBESFXJTSA-N 2 0 363.933 3.151 20 0 FGADRP CC[C@@H]1[C@@H](C(=O)NC2(C)CC[NH+](Cc3csc(C)c3)CC2)CC[N@@H+]1C ZINC001045444812 766537620 /nfs/dbraw/zinc/53/76/20/766537620.db2.gz XQJFINKIENHYMK-ZWKOTPCHSA-N 2 0 363.571 3.258 20 0 FGADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)Nc1ccc(N(C)C2CC[NH+](C)CC2)cc1 ZINC000274617842 257374393 /nfs/dbraw/zinc/37/43/93/257374393.db2.gz JVKVUEMPGCMTLM-INIZCTEOSA-N 2 0 360.546 3.322 20 0 FGADRP C[C@@H](C[NH2+][C@@H](C)c1ccc(Br)c(F)c1)CN1CC[NH+](C)CC1 ZINC000131442315 494620948 /nfs/dbraw/zinc/62/09/48/494620948.db2.gz XXFJPKCCFPKDDM-KBPBESRZSA-N 2 0 372.326 3.122 20 0 FGADRP CC[NH+](CC)[C@H](C(=O)N1CCC([C@H]2[NH2+]CC2(C)C)CC1)c1ccccc1 ZINC000579590105 505582117 /nfs/dbraw/zinc/58/21/17/505582117.db2.gz IYLQBHBXGJXSIG-VQTJNVASSA-N 2 0 357.542 3.306 20 0 FGADRP CC(C)[C@H](CNC(=O)c1ccccc1CC[NH3+])[N@@H+]1CCc2ccccc2C1 ZINC000568153636 505628889 /nfs/dbraw/zinc/62/88/89/505628889.db2.gz PCZRILBTXWTPAD-QFIPXVFZSA-N 2 0 365.521 3.001 20 0 FGADRP C[NH+](C)Cc1cccc(C[NH2+]C[C@H](O)COc2ccc3ccccc3c2)c1 ZINC000570997891 505629463 /nfs/dbraw/zinc/62/94/63/505629463.db2.gz ZLHGBZPPNIXTHW-QFIPXVFZSA-N 2 0 364.489 3.431 20 0 FGADRP COc1cc([C@@H](C)[NH2+]CCc2ccc(OCC[NH+]3CCCC3)cc2)ccn1 ZINC000579852455 505632598 /nfs/dbraw/zinc/63/25/98/505632598.db2.gz MYWZIZZNDAPTLV-GOSISDBHSA-N 2 0 369.509 3.458 20 0 FGADRP C[C@@H]([NH3+])C1CC[NH+](Cc2cc3c(cc2Br)OCCCO3)CC1 ZINC000573921364 505651783 /nfs/dbraw/zinc/65/17/83/505651783.db2.gz UYQMMGGHQRIFOQ-GFCCVEGCSA-N 2 0 369.303 3.170 20 0 FGADRP CC(=O)c1ccccc1NC(=O)CCC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000571101866 505654250 /nfs/dbraw/zinc/65/42/50/505654250.db2.gz OSPPOOLRUIZIAK-YLJYHZDGSA-N 2 0 357.498 3.024 20 0 FGADRP C[C@@H]([NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1ccc(Br)cn1 ZINC000580024607 505664247 /nfs/dbraw/zinc/66/42/47/505664247.db2.gz FHOQYVBWOTVHCV-RBSFLKMASA-N 2 0 370.335 3.384 20 0 FGADRP CN(C)c1cc(Cl)cc(Cl)c1C[NH2+]CCCC[N@@H+]1CCC[C@@H]1CO ZINC000577106130 505665616 /nfs/dbraw/zinc/66/56/16/505665616.db2.gz HGYIVXCKVRJAOK-OAHLLOKOSA-N 2 0 374.356 3.386 20 0 FGADRP [NH3+][C@H]1CCO[C@H](C2CC[NH+](Cc3cccc(-c4cccnc4)c3)CC2)C1 ZINC000574021365 505675580 /nfs/dbraw/zinc/67/55/80/505675580.db2.gz IOTJLYXDUCZVOM-VXKWHMMOSA-N 2 0 351.494 3.467 20 0 FGADRP CC[NH+](CC)CC1CC[NH+](CC(=O)NCc2cccc(Cl)c2)CC1 ZINC000047978208 493768090 /nfs/dbraw/zinc/76/80/90/493768090.db2.gz FWRVLRAMFHXTEP-UHFFFAOYSA-N 2 0 351.922 3.010 20 0 FGADRP Cc1ccc(NC(=O)c2ccc(CC[NH+](C)C)cc2)c(OCC[NH+](C)C)c1 ZINC000574052178 505683048 /nfs/dbraw/zinc/68/30/48/505683048.db2.gz WTULXNLUTJMXGV-UHFFFAOYSA-N 2 0 369.509 3.292 20 0 FGADRP CC1CC[NH+](Cc2ccccc2CNC(=O)c2c[nH+]ccc2N(C)C)CC1 ZINC000580132374 505683595 /nfs/dbraw/zinc/68/35/95/505683595.db2.gz ZVBMBYUBXJGLOO-UHFFFAOYSA-N 2 0 366.509 3.310 20 0 FGADRP O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000068556690 493840632 /nfs/dbraw/zinc/84/06/32/493840632.db2.gz GVUBJOFJVAPLSG-RBUKOAKNSA-N 2 0 374.529 3.076 20 0 FGADRP Cc1cccc(C[NH2+]Cc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)c1 ZINC000076331137 493867108 /nfs/dbraw/zinc/86/71/08/493867108.db2.gz RLECCYCKPFVEMA-UHFFFAOYSA-N 2 0 351.494 3.110 20 0 FGADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1 ZINC000049993818 493890106 /nfs/dbraw/zinc/89/01/06/493890106.db2.gz PRALUPUWSJBIPM-RBUKOAKNSA-N 2 0 365.949 3.176 20 0 FGADRP C[NH+](C)[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1Cc1ccccc1)c1cccs1 ZINC000050024755 493892049 /nfs/dbraw/zinc/89/20/49/493892049.db2.gz WIFFQQMRRGTFFD-MSOLQXFVSA-N 2 0 357.523 3.132 20 0 FGADRP C[N@H+](CC1CC1)C[C@H]1CC[NH+](CCC(=O)N[C@@H]2CCCc3ccccc32)C1 ZINC000081636263 493936026 /nfs/dbraw/zinc/93/60/26/493936026.db2.gz XYUTXHSTCPKDMJ-DENIHFKCSA-N 2 0 369.553 3.234 20 0 FGADRP CC[NH+](CC)CCNC(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000060894283 493957587 /nfs/dbraw/zinc/95/75/87/493957587.db2.gz JWGFVMFVINCBFI-GOSISDBHSA-N 2 0 360.546 3.060 20 0 FGADRP COCCC[N@H+](CCc1ccc(OC)cc1)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000577226393 505691161 /nfs/dbraw/zinc/69/11/61/505691161.db2.gz HXXPPQUWSNPWIN-UHFFFAOYSA-N 2 0 368.521 3.422 20 0 FGADRP CC[NH+](CC)CCNC(=O)NCc1ccc(C[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000060894292 493958032 /nfs/dbraw/zinc/95/80/32/493958032.db2.gz MAVUVSNSCPVLSF-OALUTQOASA-N 2 0 374.573 3.306 20 0 FGADRP CC(C)[C@@H](CNC(=O)NCC[NH+](C(C)C)C(C)C)[NH+]1CCC(C)CC1 ZINC000060955282 493961004 /nfs/dbraw/zinc/96/10/04/493961004.db2.gz BTHCHWXIQDTIEE-LJQANCHMSA-N 2 0 354.583 3.161 20 0 FGADRP O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000069724959 494003514 /nfs/dbraw/zinc/00/35/14/494003514.db2.gz FKOAMBRQEJEQRV-RBUKOAKNSA-N 2 0 374.529 3.076 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)N[C@@H]2CCC[NH+](C)C2)C1 ZINC000052524377 494035454 /nfs/dbraw/zinc/03/54/54/494035454.db2.gz ODMQUBDADLVYNW-LVCYWYKZSA-N 2 0 372.557 3.058 20 0 FGADRP COc1ccccc1-c1ccc(C[N@H+](C)CCCN2CC[NH+](C)CC2)cc1 ZINC000568446950 505695838 /nfs/dbraw/zinc/69/58/38/505695838.db2.gz VVQZICQNSQLNAL-UHFFFAOYSA-N 2 0 367.537 3.432 20 0 FGADRP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@H+]2CCC[C@@H](C)CC2)CC1 ZINC000063302380 494042124 /nfs/dbraw/zinc/04/21/24/494042124.db2.gz IPIUMULKSNBHFH-LJQANCHMSA-N 2 0 357.542 3.151 20 0 FGADRP Cc1ncc(C[NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1-c1ccccc1 ZINC000084018237 494043992 /nfs/dbraw/zinc/04/39/92/494043992.db2.gz PMNHCRPJSQSLNW-HDICACEKSA-N 2 0 356.514 3.160 20 0 FGADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000085359344 494116469 /nfs/dbraw/zinc/11/64/69/494116469.db2.gz NJAJFJBTAIKBEJ-KRWDZBQOSA-N 2 0 362.562 3.302 20 0 FGADRP CC(C)[N@H+](C)CC1CCN(C(=O)C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000064739108 494146052 /nfs/dbraw/zinc/14/60/52/494146052.db2.gz SNGBWACRZPKZTJ-UHFFFAOYSA-N 2 0 371.569 3.477 20 0 FGADRP C[NH+](C)CCN(CC[NH+](C)C)Cc1ccc(Cl)cc1Br ZINC000571310986 505703519 /nfs/dbraw/zinc/70/35/19/505703519.db2.gz WSOLWZDFZBNOME-UHFFFAOYSA-N 2 0 362.743 3.028 20 0 FGADRP CC[C@H]1C[C@@H](C)C[N@@H+]1CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000072697621 494236513 /nfs/dbraw/zinc/23/65/13/494236513.db2.gz WQWIAEIARINEOC-APWZRJJASA-N 2 0 361.555 3.294 20 0 FGADRP CCC[N@@H+]1CC[C@H](CNC(=O)NC[C@@H](c2ccsc2)[NH+](CC)CC)C1 ZINC000054509430 494242510 /nfs/dbraw/zinc/24/25/10/494242510.db2.gz PNCKPWKXPNRVMJ-AEFFLSMTSA-N 2 0 366.575 3.162 20 0 FGADRP C[C@@H](CNC(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+]1CCC[C@H](C)C1 ZINC000042929583 494252419 /nfs/dbraw/zinc/25/24/19/494252419.db2.gz VPEAPUZRBFCNFR-OALUTQOASA-N 2 0 372.557 3.071 20 0 FGADRP C[C@@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@H+](C)CCc1cccs1 ZINC000072800716 494252892 /nfs/dbraw/zinc/25/28/92/494252892.db2.gz POYXEELIBIHNPG-PKOBYXMFSA-N 2 0 371.550 3.002 20 0 FGADRP CC[NH+](CC)Cc1cccc(CNC(=O)NC2CC[NH+](C(C)C)CC2)c1 ZINC000043179142 494275442 /nfs/dbraw/zinc/27/54/42/494275442.db2.gz RTQFIVZVCFABOB-UHFFFAOYSA-N 2 0 360.546 3.200 20 0 FGADRP CC[NH+](CC)CCOc1ccc(NC(=O)N2CC[C@@H]3CC[C@H](C2)[N@@H+]3C)cc1 ZINC000072949903 494289113 /nfs/dbraw/zinc/28/91/13/494289113.db2.gz KDTXMPOUOUNKDP-RBUKOAKNSA-N 2 0 374.529 3.108 20 0 FGADRP CC[NH+](CC)Cc1ccccc1C[NH2+][C@@H](C)C(=O)Nc1ccnn1C(C)C ZINC000072981124 494298010 /nfs/dbraw/zinc/29/80/10/494298010.db2.gz NEVDVQTXDLENCT-KRWDZBQOSA-N 2 0 371.529 3.423 20 0 FGADRP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)NCC[NH+](C)C2CCCC2)C1 ZINC000073215599 494339711 /nfs/dbraw/zinc/33/97/11/494339711.db2.gz OAWBYIOBMRLNBC-OALUTQOASA-N 2 0 364.578 3.157 20 0 FGADRP Cc1ccccc1[C@@H]([NH3+])C(=O)Nc1ccc(OCC[NH+]2CCCC2)c(C)c1 ZINC000577369417 505714508 /nfs/dbraw/zinc/71/45/08/505714508.db2.gz AJRJZTPJLCDVAZ-OAQYLSRUSA-N 2 0 367.493 3.417 20 0 FGADRP C[NH+](C)Cc1cccc(NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000044291904 494347817 /nfs/dbraw/zinc/34/78/17/494347817.db2.gz PJWBSRVARURCNW-FQEVSTJZSA-N 2 0 352.482 3.144 20 0 FGADRP CCC[NH+]1CCC(NC(=O)NC[C@@H](c2ccc(CC)cc2)[NH+](C)C)CC1 ZINC000073493923 494378621 /nfs/dbraw/zinc/37/86/21/494378621.db2.gz ZWLOFVONINXNPH-FQEVSTJZSA-N 2 0 360.546 3.025 20 0 FGADRP CC1CC[NH+](Cc2ccccc2CNC(=O)NCCC[NH+]2CCCC2)CC1 ZINC000045121399 494399905 /nfs/dbraw/zinc/39/99/05/494399905.db2.gz AAALOSTZDQHIJP-UHFFFAOYSA-N 2 0 372.557 3.204 20 0 FGADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)NCc2ccccc2C[NH+](C)C(C)C)C1 ZINC000073621140 494401284 /nfs/dbraw/zinc/40/12/84/494401284.db2.gz ATDVXVXDFSNJHE-IBGZPJMESA-N 2 0 374.573 3.400 20 0 FGADRP O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000045186685 494404227 /nfs/dbraw/zinc/40/42/27/494404227.db2.gz FMSGXCBUGNPVOK-LEWJYISDSA-N 2 0 370.541 3.099 20 0 FGADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)C1 ZINC000073666516 494410109 /nfs/dbraw/zinc/41/01/09/494410109.db2.gz ZYSHLCVPDLNINK-CTNGQTDRSA-N 2 0 372.557 3.197 20 0 FGADRP C[NH+](C)CCNC(=O)c1ccc(C[NH2+][C@H]2CC(C)(C)Cc3occc32)cc1 ZINC000090038758 494432352 /nfs/dbraw/zinc/43/23/52/494432352.db2.gz OSTCXXVWNXTZLZ-IBGZPJMESA-N 2 0 369.509 3.374 20 0 FGADRP C[C@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)c1ccc(F)cc1F ZINC000090038837 494432445 /nfs/dbraw/zinc/43/24/45/494432445.db2.gz OATWUGVCBXTILD-AWEZNQCLSA-N 2 0 361.436 3.107 20 0 FGADRP CCc1ccc([C@H](C)[NH2+]Cc2ccc(C(=O)NCC[NH+](C)C)cc2)cc1 ZINC000090038735 494432462 /nfs/dbraw/zinc/43/24/62/494432462.db2.gz OLPLGPODEWPLTF-KRWDZBQOSA-N 2 0 353.510 3.391 20 0 FGADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCOc1ncc(C(F)(F)F)cc1Cl ZINC000090082474 494438825 /nfs/dbraw/zinc/43/88/25/494438825.db2.gz NFGYMHNZSRUJIQ-SUNKGSAMSA-N 2 0 365.827 3.451 20 0 FGADRP C[NH+](C)CCC1CC[NH+](C[C@H](O)CO[C@H]2CCCc3ccccc32)CC1 ZINC000079492387 494464700 /nfs/dbraw/zinc/46/47/00/494464700.db2.gz HGYHNWKZLOSNNG-UNMCSNQZSA-N 2 0 360.542 3.105 20 0 FGADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@H](CO)Cc1ccc(OC(F)(F)F)cc1 ZINC000090521915 494477033 /nfs/dbraw/zinc/47/70/33/494477033.db2.gz KCDWMWOONJMWMO-SZXPJGKVSA-N 2 0 374.447 3.055 20 0 FGADRP COc1cc(C)c([C@@H](C)[NH2+]Cc2ccnc(OCC[NH+](C)C)c2)cc1OC ZINC000090937442 494504428 /nfs/dbraw/zinc/50/44/28/494504428.db2.gz FBGAQKVTKJJUHF-MRXNPFEDSA-N 2 0 373.497 3.198 20 0 FGADRP C[NH+](C)Cc1ccc(C[NH2+]C2CCN(Cc3ccccn3)CC2)cc1F ZINC000090920081 494504743 /nfs/dbraw/zinc/50/47/43/494504743.db2.gz KWKLBXOLQYVOLY-UHFFFAOYSA-N 2 0 356.489 3.037 20 0 FGADRP CSC1(C[NH2+]C2CC[NH+]([C@H]3CCC[C@@H](C)C3)CC2)CC[NH+](C)CC1 ZINC000577430114 505724980 /nfs/dbraw/zinc/72/49/80/505724980.db2.gz HUOCANZGANJHIW-MJGOQNOKSA-N 3 0 353.620 3.447 20 0 FGADRP C[NH+](C)[C@@H](CNC(=O)NC[C@@H](C1CCCCC1)[NH+](C)C)c1ccsc1 ZINC000046313906 494515722 /nfs/dbraw/zinc/51/57/22/494515722.db2.gz MEYPHRLPCCSFFR-ROUUACIJSA-N 2 0 366.575 3.161 20 0 FGADRP C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)c2cccc(C[NH+]3CCCC3)c2)C1 ZINC000074320884 494518073 /nfs/dbraw/zinc/51/80/73/494518073.db2.gz ACTJLXZHSSYRPA-HXUWFJFHSA-N 2 0 355.526 3.086 20 0 FGADRP COc1ccc(Cl)cc1NC(=O)CC[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000056522139 494519429 /nfs/dbraw/zinc/51/94/29/494519429.db2.gz HHKKQOLLPOALQZ-UHFFFAOYSA-N 2 0 367.921 3.341 20 0 FGADRP CCOc1ccc(C[NH2+]CCCC[NH+]2C[C@@H](C)O[C@H](C)C2)cc1OC ZINC000067452994 494544457 /nfs/dbraw/zinc/54/44/57/494544457.db2.gz SMNSKMGIIRXQBE-IAGOWNOFSA-N 2 0 350.503 3.073 20 0 FGADRP O=c1ccc2c([nH]1)CCC[C@H]2[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000067504112 494554087 /nfs/dbraw/zinc/55/40/87/494554087.db2.gz ZYYUIWPAPHPGBH-HXUWFJFHSA-N 2 0 367.493 3.017 20 0 FGADRP C[NH+](C)CCN1CCC([NH2+][C@H]2CCc3c2cccc3Br)CC1 ZINC000091283705 494577282 /nfs/dbraw/zinc/57/72/82/494577282.db2.gz MYMIKQOZPZKWMI-SFHVURJKSA-N 2 0 366.347 3.052 20 0 FGADRP Cc1ccc([C@H]([NH2+]Cc2ccc(N3CC[NH+](C)CC3)nc2)C2CC2)cc1 ZINC000091282910 494577554 /nfs/dbraw/zinc/57/75/54/494577554.db2.gz MBYHYKSMIBJJSS-QFIPXVFZSA-N 2 0 350.510 3.383 20 0 FGADRP CC1CCC([NH+]2CCN(C(=O)Nc3cccc(C[NH+](C)C)c3)CC2)CC1 ZINC000115639488 494579369 /nfs/dbraw/zinc/57/93/69/494579369.db2.gz KTUIKWXYPXHFNH-UHFFFAOYSA-N 2 0 358.530 3.476 20 0 FGADRP C[NH+](Cc1ccccc1C[N@H+](C)C[C@@H]1CCCOC1)C[C@@H]1CCCOC1 ZINC000107692286 494586339 /nfs/dbraw/zinc/58/63/39/494586339.db2.gz IISXKCWFAUOIPJ-PMACEKPBSA-N 2 0 360.542 3.403 20 0 FGADRP C[C@@H]1C[NH+](Cc2ccc(C[NH2+][C@@H]3[C@@H]4CCO[C@@H]4C34CCC4)cc2)C[C@@H](C)O1 ZINC000121103958 494596793 /nfs/dbraw/zinc/59/67/93/494596793.db2.gz XMQFXLVLQYMZJE-BVNLLZHESA-N 2 0 370.537 3.343 20 0 FGADRP CC(C)c1ccc(C2(O)CCC([NH2+]C[C@H](C)N3CC[NH+](C)CC3)CC2)cc1 ZINC000131397645 494606985 /nfs/dbraw/zinc/60/69/85/494606985.db2.gz WEQSAZWZLPFDOD-BVVFMGSASA-N 2 0 373.585 3.166 20 0 FGADRP CC(C)CC[NH+]1CCC(CNC(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)CC1 ZINC000080146338 494613374 /nfs/dbraw/zinc/61/33/74/494613374.db2.gz HNAFFFIIYRRECZ-IBGZPJMESA-N 2 0 364.578 3.061 20 0 FGADRP Cc1ccc([C@@H](CNC(=O)NCc2cccc(C[NH+](C)C)c2)[NH+](C)C)cc1 ZINC000067705166 494616241 /nfs/dbraw/zinc/61/62/41/494616241.db2.gz ODYJNIGNNZDVGS-OAQYLSRUSA-N 2 0 368.525 3.159 20 0 FGADRP CCC(CC)[C@H](CNC(=O)N1CCC(CC[NH+](C)C)CC1)[NH+]1CCCC1 ZINC000126040718 494617646 /nfs/dbraw/zinc/61/76/46/494617646.db2.gz LKHLWFVOOZDSRZ-FQEVSTJZSA-N 2 0 366.594 3.260 20 0 FGADRP CC(C)CN(CC[NH+](C)C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000080164829 494619970 /nfs/dbraw/zinc/61/99/70/494619970.db2.gz PCWKGWVPBMTWJP-PZJWPPBQSA-N 2 0 374.573 3.269 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N(C)C[C@@H]1CCC[N@H+](C)C1)c1ccccc1 ZINC000115785781 494621727 /nfs/dbraw/zinc/62/17/27/494621727.db2.gz QKZQWNJTUUNPFB-UYAOXDASSA-N 2 0 360.546 3.053 20 0 FGADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N(C)C[C@H]1CCC[NH+](C)C1 ZINC000115794926 494624005 /nfs/dbraw/zinc/62/40/05/494624005.db2.gz FMVCGKSMSZADLI-SFHVURJKSA-N 2 0 360.546 3.010 20 0 FGADRP CC(C)CC[NH+]1CCC(CNC(=O)N2CCC(CC[NH+](C)C)CC2)CC1 ZINC000080216354 494642710 /nfs/dbraw/zinc/64/27/10/494642710.db2.gz QZVSNZXLVOSELC-UHFFFAOYSA-N 2 0 366.594 3.118 20 0 FGADRP CCCNC(=O)C[NH+]1CCC(Nc2cc(C)[nH+]c3ccc(F)cc23)CC1 ZINC000121259647 494670471 /nfs/dbraw/zinc/67/04/71/494670471.db2.gz PAHSYIWLAYWFBS-UHFFFAOYSA-N 2 0 358.461 3.085 20 0 FGADRP Cc1nccn1CCCC[NH+]1CCC(NC(=O)NC2CCCCC2)CC1 ZINC000126224907 494678035 /nfs/dbraw/zinc/67/80/35/494678035.db2.gz NVEWCEWQKJKDNT-UHFFFAOYSA-N 2 0 361.534 3.068 20 0 FGADRP C[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)C1 ZINC000108428303 494705984 /nfs/dbraw/zinc/70/59/84/494705984.db2.gz GOUBILWGEOTUFB-OAHLLOKOSA-N 2 0 352.404 3.323 20 0 FGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H](C)c2ccc(F)cc2OC(F)F)CC1 ZINC000121371732 494724891 /nfs/dbraw/zinc/72/48/91/494724891.db2.gz IYZXUQHPHAIWDV-HUUCEWRRSA-N 2 0 373.463 3.351 20 0 FGADRP Cc1cnc2cc(C(=O)Nc3cccc(OCCC[NH+](C)C)c3)ccn12 ZINC000574289979 505738914 /nfs/dbraw/zinc/73/89/14/505738914.db2.gz LMJJNQCSYLYZFA-UHFFFAOYSA-N 2 0 352.438 3.226 20 0 FGADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](CCCN(C)c2ccccc2)CC1 ZINC000568623844 505739438 /nfs/dbraw/zinc/73/94/38/505739438.db2.gz WJBMBSABDYGZIT-OYRHEFFESA-N 2 0 358.574 3.003 20 0 FGADRP Cc1cc2ncc([C@H](C)[NH2+]Cc3ccc(OCC[NH+](C)C)cc3)c(C)n2n1 ZINC000093399081 494886118 /nfs/dbraw/zinc/88/61/18/494886118.db2.gz BITMMMJGLHIRCE-INIZCTEOSA-N 2 0 367.497 3.137 20 0 FGADRP [NH3+][C@H]1CCC[C@H]([NH2+]CCSCCOc2cccc(Br)c2)C1 ZINC000568664381 505747812 /nfs/dbraw/zinc/74/78/12/505747812.db2.gz RIWIDUYICAMYSJ-GJZGRUSLSA-N 2 0 373.360 3.421 20 0 FGADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H]2CCCc3ncc(C(F)(F)F)cc32)CC1 ZINC000132534744 494889100 /nfs/dbraw/zinc/88/91/00/494889100.db2.gz YZXUAYXEENPIAB-PBHICJAKSA-N 2 0 370.463 3.093 20 0 FGADRP C[C@H](CC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1)[C@H]1CCC[NH2+]C1 ZINC000127270980 494920512 /nfs/dbraw/zinc/92/05/12/494920512.db2.gz BGTHCCZFAXBSSW-NQIIRXRSSA-N 2 0 357.542 3.315 20 0 FGADRP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@@H](C)CS(=O)(=O)c1ccccc1 ZINC000122111443 494925695 /nfs/dbraw/zinc/92/56/95/494925695.db2.gz DTLQVWKNPBHGHK-SFHVURJKSA-N 2 0 374.550 3.479 20 0 FGADRP CN(c1ccccc1C[N@H+](C)CCc1nccs1)C1CC[NH+](C)CC1 ZINC000093843959 494926844 /nfs/dbraw/zinc/92/68/44/494926844.db2.gz MKUFJPGWQYJCRY-UHFFFAOYSA-N 2 0 358.555 3.348 20 0 FGADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)Nc1ccccc1CCC(F)(F)F ZINC000132874287 494936703 /nfs/dbraw/zinc/93/67/03/494936703.db2.gz IHDKIKWDODOJJA-UHFFFAOYSA-N 2 0 374.451 3.139 20 0 FGADRP NC(=O)c1cccc(C[NH2+]C2CCN(Cc3ccccc3Cl)CC2)c1 ZINC000122223822 494942885 /nfs/dbraw/zinc/94/28/85/494942885.db2.gz KOZMGUYREYZQCC-UHFFFAOYSA-N 2 0 357.885 3.193 20 0 FGADRP C[C@H](CNC(=O)NCCCC[N@@H+]1CCCC[C@H]1C)C[NH+]1CCCCC1 ZINC000127430325 494943943 /nfs/dbraw/zinc/94/39/43/494943943.db2.gz JLFLRDVQBONTJF-RTBURBONSA-N 2 0 352.567 3.062 20 0 FGADRP C[C@@H](C[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1)C[NH+]1CCCCC1 ZINC000133120483 494972906 /nfs/dbraw/zinc/97/29/06/494972906.db2.gz JAUBFDLUDRPABA-FQEVSTJZSA-N 3 0 372.601 3.429 20 0 FGADRP C[C@H](C[NH2+][C@H]1CCCOc2c(Cl)c(Cl)ccc21)N1CC[NH+](C)CC1 ZINC000127709800 494985077 /nfs/dbraw/zinc/98/50/77/494985077.db2.gz FUBUKBLRYGFRHD-CJNGLKHVSA-N 2 0 372.340 3.433 20 0 FGADRP CCOc1ccc([C@H](CC)[NH2+]C[C@@H](C)N2CC[NH+](C)CC2)cc1OCC ZINC000127756778 494992837 /nfs/dbraw/zinc/99/28/37/494992837.db2.gz GHZGBGARXIETAP-MJGOQNOKSA-N 2 0 363.546 3.161 20 0 FGADRP CC[C@H](CSc1ccc(Cl)cc1)[NH2+]C[C@H](C)N1CC[NH+](C)CC1 ZINC000127769916 494994515 /nfs/dbraw/zinc/99/45/15/494994515.db2.gz PPEMZIBGIRJLFY-DOTOQJQBSA-N 2 0 355.979 3.436 20 0 FGADRP CC(C)[C@@H](C(=O)Nc1ccc(NC(=O)CC[NH+]2CCCCC2)cc1)[NH+](C)C ZINC000110680217 495001092 /nfs/dbraw/zinc/00/10/92/495001092.db2.gz SDLOQWZMJDYRBO-FQEVSTJZSA-N 2 0 374.529 3.026 20 0 FGADRP CC[NH+](CC)[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000111090108 495037827 /nfs/dbraw/zinc/03/78/27/495037827.db2.gz GSTLMSLOZUJYOX-YADHBBJMSA-N 2 0 365.521 3.460 20 0 FGADRP CC(C)O[C@H](C[N@@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1)c1ccccc1 ZINC000568707187 505757454 /nfs/dbraw/zinc/75/74/54/505757454.db2.gz NHMSSXCBQCBBLM-FCHUYYIVSA-N 2 0 359.558 3.253 20 0 FGADRP COc1ccc(C[NH2+][C@H](C)c2cccc(OCC[NH+](C)C)c2)c(OC)c1 ZINC000118954549 495057222 /nfs/dbraw/zinc/05/72/22/495057222.db2.gz UXNBTPZGNPKMTM-MRXNPFEDSA-N 2 0 358.482 3.495 20 0 FGADRP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@@H](C)CS(=O)(=O)c2ccccc2)c1 ZINC000122962339 495060333 /nfs/dbraw/zinc/06/03/33/495060333.db2.gz MKDGWGZNUTZVEY-SFHVURJKSA-N 2 0 374.550 3.479 20 0 FGADRP C[C@@H]([NH2+]CCCN1CCC[N@H+](C)CC1)c1ccc(F)c(Br)c1 ZINC000128264465 495069407 /nfs/dbraw/zinc/06/94/07/495069407.db2.gz SYQPAEFPYZLUNS-CQSZACIVSA-N 2 0 372.326 3.266 20 0 FGADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]C[C@@H](O)Cc2ccc(C(F)(F)F)cc2)C1 ZINC000571551443 505759928 /nfs/dbraw/zinc/75/99/28/505759928.db2.gz MXNGRDIKADRQCO-WMZOPIPTSA-N 2 0 358.448 3.319 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CCC[NH+](Cc3ccccc3)C2)[C@H](C)C1 ZINC000128443094 495098124 /nfs/dbraw/zinc/09/81/24/495098124.db2.gz DTAHULUFNHJSSE-NRSPTQNISA-N 2 0 372.557 3.023 20 0 FGADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000111801114 495113175 /nfs/dbraw/zinc/11/31/75/495113175.db2.gz RRGJICCCLSBMLC-IRXDYDNUSA-N 2 0 364.559 3.059 20 0 FGADRP CCCC1CCC(NC(=O)NC2CC[NH+](C3CCN(C)CC3)CC2)CC1 ZINC000101993694 495113869 /nfs/dbraw/zinc/11/38/69/495113869.db2.gz DEKNZWFBNSEJOD-UHFFFAOYSA-N 2 0 364.578 3.203 20 0 FGADRP C[NH+](C)CCCC1CC[NH+](CCC(=O)Nc2cc(F)cc(F)c2)CC1 ZINC000123380146 495123479 /nfs/dbraw/zinc/12/34/79/495123479.db2.gz LSDJZVTVBRPNQD-UHFFFAOYSA-N 2 0 353.457 3.347 20 0 FGADRP CC(C)N(Cc1ccccc1)C(=O)C[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123455424 495135045 /nfs/dbraw/zinc/13/50/45/495135045.db2.gz RJXUNTHXLANGLT-UHFFFAOYSA-N 2 0 359.558 3.477 20 0 FGADRP COC(=O)c1ccc(CN(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)s1 ZINC000119511985 495180475 /nfs/dbraw/zinc/18/04/75/495180475.db2.gz MMJBSYGSBKJAQD-QGZVFWFLSA-N 2 0 358.507 3.489 20 0 FGADRP C[C@@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)c1ccc(F)c(Cl)c1 ZINC000112528825 495201069 /nfs/dbraw/zinc/20/10/69/495201069.db2.gz JCJSIFYNZBJWDN-CQSZACIVSA-N 2 0 362.880 3.477 20 0 FGADRP C[N@@H+](Cc1cccc(I)c1)C[C@H]1CCC[NH+](C)C1 ZINC000571587455 505767107 /nfs/dbraw/zinc/76/71/07/505767107.db2.gz MPSXGGLHOCTFGO-AWEZNQCLSA-N 2 0 358.267 3.065 20 0 FGADRP C[C@H]1C[C@H]1[N@@H+]1CCN(C(=O)c2ccc(C[NH+]3CCCC3)cc2)C[C@@H](C)C1 ZINC000571590871 505767723 /nfs/dbraw/zinc/76/77/23/505767723.db2.gz CVIWOWHGNKHDEY-BBTUJRGHSA-N 2 0 355.526 3.085 20 0 FGADRP C[NH+]1CCN(CCC[NH2+][C@@H]2CC3(CCCCC3)Oc3ccccc32)CC1 ZINC000129656063 495276417 /nfs/dbraw/zinc/27/64/17/495276417.db2.gz DOVZEVZYGZEDIR-HXUWFJFHSA-N 2 0 357.542 3.440 20 0 FGADRP C[C@@H]1C[C@H](CCNC(=O)c2ccc(C[NH3+])cc2)C[N@@H+]1Cc1ccccc1 ZINC000568760264 505772591 /nfs/dbraw/zinc/77/25/91/505772591.db2.gz QEMXHTRSMBCABY-XLIONFOSSA-N 2 0 351.494 3.176 20 0 FGADRP C[NH+](C)Cc1ccc(C(=O)N2CC[N@H+](Cc3ccccc3)C(C)(C)C2)cc1 ZINC000104652505 495294443 /nfs/dbraw/zinc/29/44/43/495294443.db2.gz ABYJAFLIHFRGMG-UHFFFAOYSA-N 2 0 365.521 3.485 20 0 FGADRP CC[C@@H](C)[N@H+](C)CCNC(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000113612713 495321095 /nfs/dbraw/zinc/32/10/95/495321095.db2.gz FARQEZXSECGGBN-GOSISDBHSA-N 2 0 360.546 3.023 20 0 FGADRP CCN(CC)C(=O)[C@@H](c1ccccc1)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000120232838 495332645 /nfs/dbraw/zinc/33/26/45/495332645.db2.gz APJNRYFMULJLQJ-OAQYLSRUSA-N 2 0 357.542 3.404 20 0 FGADRP CC1CC[NH+](Cc2ccccc2CNC(=O)N2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000105112923 495337422 /nfs/dbraw/zinc/33/74/22/495337422.db2.gz JKUBTRCJRPBSFD-OAQYLSRUSA-N 2 0 372.557 3.154 20 0 FGADRP CC(C)[NH+]1CCC(NC(=O)N2CCC[N@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000124927256 495365276 /nfs/dbraw/zinc/36/52/76/495365276.db2.gz UDRBQWHEMAQHLP-LJQANCHMSA-N 2 0 372.557 3.165 20 0 FGADRP CCC[N@H+](CCc1cccc(F)c1)CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000114481331 495381667 /nfs/dbraw/zinc/38/16/67/495381667.db2.gz WGCBJHSTEGZBNR-UHFFFAOYSA-N 2 0 363.521 3.069 20 0 FGADRP C[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CC(C)(C)Cc4occc43)cn2)CC1 ZINC000130474292 495397745 /nfs/dbraw/zinc/39/77/45/495397745.db2.gz XSNMHNKPLCRYEF-GOSISDBHSA-N 2 0 354.498 3.230 20 0 FGADRP CCOc1ccccc1[C@@H](C)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000130526190 495405785 /nfs/dbraw/zinc/40/57/85/495405785.db2.gz JREFAVCROKNMKQ-QGZVFWFLSA-N 2 0 354.498 3.083 20 0 FGADRP COc1ccc(Cl)cc1[C@H](C)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000130527086 495406191 /nfs/dbraw/zinc/40/61/91/495406191.db2.gz WGOXSMHCAWADOC-HNNXBMFYSA-N 2 0 374.916 3.346 20 0 FGADRP CC[NH+]1CCC(N(C)Cc2ccccc2N(C)C2CC[NH+](C)CC2)CC1 ZINC000125250711 495413455 /nfs/dbraw/zinc/41/34/55/495413455.db2.gz GPCOFEGHHARUAG-UHFFFAOYSA-N 2 0 358.574 3.133 20 0 FGADRP C[C@@H]1C[C@@H](C)C[NH+](CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)C1 ZINC000120645007 495426120 /nfs/dbraw/zinc/42/61/20/495426120.db2.gz YUYFCIHYTHWQDO-IAGOWNOFSA-N 2 0 361.555 3.152 20 0 FGADRP CC[N@@H+]1CC[C@@H]([NH2+]CC2CC[NH+](Cc3ccc(OC)cc3)CC2)[C@H](C)C1 ZINC000120670547 495431346 /nfs/dbraw/zinc/43/13/46/495431346.db2.gz COHHZIMLAMQDDO-XMSQKQJNSA-N 3 0 359.558 3.227 20 0 FGADRP CCC(CC)(CNC(=O)[C@@H]1CC12CC[NH2+]CC2)[NH2+][C@H](C)c1ccccc1 ZINC000137249084 495432759 /nfs/dbraw/zinc/43/27/59/495432759.db2.gz LADXKWMVOCNJKN-MJGOQNOKSA-N 2 0 357.542 3.402 20 0 FGADRP CC[N@H+](C)Cc1cccc(CNC(=O)NC[C@H](c2ccccc2)[NH+](C)C)c1 ZINC000130720626 495434949 /nfs/dbraw/zinc/43/49/49/495434949.db2.gz RGUTVCSTLYZBJI-OAQYLSRUSA-N 2 0 368.525 3.240 20 0 FGADRP C[C@@H]1C[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C[N@@H+]1Cc1ccccc1 ZINC000137465118 495441368 /nfs/dbraw/zinc/44/13/68/495441368.db2.gz RIJVMZWNTDOBGM-UTKZUKDTSA-N 2 0 351.494 3.141 20 0 FGADRP C[N@H+](CCC(=O)Nc1ccccc1C(F)(F)F)C[C@H]1CCC[NH+](C)C1 ZINC000137477993 495442917 /nfs/dbraw/zinc/44/29/17/495442917.db2.gz VDPHCKMRGUHKFP-AWEZNQCLSA-N 2 0 357.420 3.308 20 0 FGADRP CC[C@H]([NH2+]C[C@@H](C)CN1CC[NH+](C)CC1)c1cc(Cl)ccc1OC ZINC000120839958 495468213 /nfs/dbraw/zinc/46/82/13/495468213.db2.gz BJZFUAWVTOFYKB-QAPCUYQASA-N 2 0 353.938 3.273 20 0 FGADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CCN(c3cccc(Br)c3)C2)C1 ZINC000571657410 505785053 /nfs/dbraw/zinc/78/50/53/505785053.db2.gz LWYXBEULONCAIL-NUEKZKHPSA-N 2 0 352.320 3.135 20 0 FGADRP C[NH+](C)CCNC(=O)c1cccc(C[NH2+][C@H]2CC[C@@H](c3ccccc3)C2)c1 ZINC000131119724 495494563 /nfs/dbraw/zinc/49/45/63/495494563.db2.gz NKPNYJPQVVAQCX-IRLDBZIGSA-N 2 0 365.521 3.404 20 0 FGADRP CC[NH+]1CCN(CCC[NH2+][C@H](C)c2ccc(Br)cc2F)CC1 ZINC000125873355 495512025 /nfs/dbraw/zinc/51/20/25/495512025.db2.gz MBLDADWULYNRTO-CQSZACIVSA-N 2 0 372.326 3.266 20 0 FGADRP CC[NH+]1CCN(CCC[NH2+]Cc2ccc(-c3c(F)cccc3F)o2)CC1 ZINC000115612007 495521443 /nfs/dbraw/zinc/52/14/43/495521443.db2.gz AZDCSRDFZVTUMF-UHFFFAOYSA-N 2 0 363.452 3.342 20 0 FGADRP CC[NH+]1CCN([C@H](C)C[NH2+]Cc2ccc(-c3c(F)cccc3F)o2)CC1 ZINC000115612094 495521482 /nfs/dbraw/zinc/52/14/82/495521482.db2.gz GXSSASUJTLKVST-OAHLLOKOSA-N 2 0 363.452 3.340 20 0 FGADRP CC[NH+]1CCN([C@@H]2CC[N@@H+]([C@@H](C)c3ccc(OC(F)(F)F)cc3)C2)CC1 ZINC000107371929 495526256 /nfs/dbraw/zinc/52/62/56/495526256.db2.gz XKBQGJPDURLDCA-DOTOQJQBSA-N 2 0 371.447 3.358 20 0 FGADRP CCC[N@H+](C)C[C@@H]1CC[NH+](C[C@H](O)Cc2ccc(C(F)(F)F)cc2)C1 ZINC000154263231 495561917 /nfs/dbraw/zinc/56/19/17/495561917.db2.gz WHUOPOFIDLBMQG-FUHWJXTLSA-N 2 0 358.448 3.273 20 0 FGADRP CCCC[NH+]1CCC(NC(=O)NCCCC[NH+]2CCC(C)CC2)CC1 ZINC000158665126 495562215 /nfs/dbraw/zinc/56/22/15/495562215.db2.gz IIKNZIXMRUFICH-UHFFFAOYSA-N 2 0 352.567 3.062 20 0 FGADRP COC(=O)c1coc(C[N@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000179397318 495575604 /nfs/dbraw/zinc/57/56/04/495575604.db2.gz MAGRFPQOOZBQNC-UHFFFAOYSA-N 2 0 357.454 3.200 20 0 FGADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000173540234 495580773 /nfs/dbraw/zinc/58/07/73/495580773.db2.gz FUQSRWAIVHCCAV-OAQYLSRUSA-N 2 0 372.557 3.156 20 0 FGADRP Cc1cc(NC(=O)[C@H]2CCCC[C@]2(C)[NH3+])cc(N2CC[NH+](C(C)C)CC2)c1 ZINC000574516956 505790464 /nfs/dbraw/zinc/79/04/64/505790464.db2.gz LHUYMTVZFFPWRX-IRLDBZIGSA-N 2 0 372.557 3.372 20 0 FGADRP CCOC[C@@H]1CC[NH+](Cc2ccccc2C[N@H+]2CC[C@H](COCC)C2)C1 ZINC000176346400 495612318 /nfs/dbraw/zinc/61/23/18/495612318.db2.gz QSXCIBPJCGFDOZ-BGYRXZFFSA-N 2 0 360.542 3.403 20 0 FGADRP Cc1nc(-c2cccnc2)sc1[C@@H](C)NC[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000158945629 495621959 /nfs/dbraw/zinc/62/19/59/495621959.db2.gz UHBOWKXNMUUFEF-CRAIPNDOSA-N 2 0 374.554 3.257 20 0 FGADRP O=C(Nc1cccc(C[NH+]2CCCCC2)c1)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC000154465971 495624574 /nfs/dbraw/zinc/62/45/74/495624574.db2.gz GRRIINVINIABOS-NRFANRHFSA-N 2 0 371.525 3.254 20 0 FGADRP CCN1CC[NH+](CCCC[NH2+][C@H](C)c2ccccc2OC(F)F)CC1 ZINC000154481607 495630647 /nfs/dbraw/zinc/63/06/47/495630647.db2.gz ZFZWFTPRCDJPIW-MRXNPFEDSA-N 2 0 355.473 3.356 20 0 FGADRP COCCC[NH+]1CCC([NH2+][C@H](C)c2cc(OC)c(OC)cc2C)CC1 ZINC000159067683 495649618 /nfs/dbraw/zinc/64/96/18/495649618.db2.gz ZQIXINISPURUQO-MRXNPFEDSA-N 2 0 350.503 3.164 20 0 FGADRP CCc1nc2c(s1)[C@H]([NH2+]Cc1ccnc(N3CC[NH+](C)CC3)c1)CCC2 ZINC000159167047 495673556 /nfs/dbraw/zinc/67/35/56/495673556.db2.gz ARNXQZZCZIMRND-MRXNPFEDSA-N 2 0 371.554 3.020 20 0 FGADRP CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000159169354 495674990 /nfs/dbraw/zinc/67/49/90/495674990.db2.gz XQORXJXAWGDZGJ-OAQYLSRUSA-N 2 0 370.516 3.329 20 0 FGADRP Cc1cccc(C)c1OC[C@H](O)C[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185719631 495695592 /nfs/dbraw/zinc/69/55/92/495695592.db2.gz CNXCTTLTEWITGR-QKNQBKEWSA-N 2 0 360.542 3.286 20 0 FGADRP CCOc1ccc([C@@H](C)[NH2+]C2CCN(CC[NH+](C)C)CC2)cc1OCC ZINC000150999280 495706397 /nfs/dbraw/zinc/70/63/97/495706397.db2.gz XYWHKZOMQDSBJY-QGZVFWFLSA-N 2 0 363.546 3.161 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1)Cc1ccccc1 ZINC000173827831 495709860 /nfs/dbraw/zinc/70/98/60/495709860.db2.gz KCJBFWJDCRQLKO-NRSPTQNISA-N 2 0 374.573 3.064 20 0 FGADRP C[C@H]([NH2+]C[C@H](O)COc1cccc2[nH]ccc21)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185751416 495709887 /nfs/dbraw/zinc/70/98/87/495709887.db2.gz PWGWUPIOVBYTFS-LNLFQRSKSA-N 2 0 371.525 3.150 20 0 FGADRP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)C1 ZINC000176616559 495722457 /nfs/dbraw/zinc/72/24/57/495722457.db2.gz BSAURWKHKXRHFG-VAMGGRTRSA-N 2 0 364.578 3.157 20 0 FGADRP C[C@H](NC(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000182918137 495756652 /nfs/dbraw/zinc/75/66/52/495756652.db2.gz BGRDTBAYVPUNNM-OTWHNJEPSA-N 2 0 364.578 3.155 20 0 FGADRP C[C@@H]1CC[C@H](C)[N@H+](CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)C1 ZINC000174014966 495788478 /nfs/dbraw/zinc/78/84/78/495788478.db2.gz LBSADRCOCXRHMD-SJORKVTESA-N 2 0 361.555 3.294 20 0 FGADRP C[C@H]1CC[C@H](C)[N@H+](CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)C1 ZINC000174014976 495788524 /nfs/dbraw/zinc/78/85/24/495788524.db2.gz LBSADRCOCXRHMD-IRXDYDNUSA-N 2 0 361.555 3.294 20 0 FGADRP CC(C)(CC[NH+]1CCCCCC1)NC(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000571743300 505803960 /nfs/dbraw/zinc/80/39/60/505803960.db2.gz BIKLWTGIHCMWDJ-UHFFFAOYSA-N 2 0 358.530 3.499 20 0 FGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]Cc2ccc(CO)cc2)CC1 ZINC000183104044 495835586 /nfs/dbraw/zinc/83/55/86/495835586.db2.gz CZRJIXMKDURFEK-QGZVFWFLSA-N 2 0 371.500 3.311 20 0 FGADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H](c2ccccc2)c2ccc(OC)cc2)CC1 ZINC000180118972 495866098 /nfs/dbraw/zinc/86/60/98/495866098.db2.gz BCYCNFKBXBEAFF-XXBNENTESA-N 2 0 367.537 3.400 20 0 FGADRP C[C@@H]1C[NH+](CCCC[NH2+]C2CCN(Cc3ccccc3)CC2)C[C@@H](C)O1 ZINC000174316193 495906954 /nfs/dbraw/zinc/90/69/54/495906954.db2.gz OCIUQOPRYIFGRP-WOJBJXKFSA-N 2 0 359.558 3.130 20 0 FGADRP c1cn(-c2ccc(CN3CCC[C@@H](C[NH+]4CCCCCC4)C3)cn2)cn1 ZINC000177177580 495961567 /nfs/dbraw/zinc/96/15/67/495961567.db2.gz CAKOOWOGGWROLI-FQEVSTJZSA-N 2 0 353.514 3.355 20 0 FGADRP C[C@H]([NH2+]CCc1nn(C)c2ccccc12)c1cccc(OCC[NH+](C)C)c1 ZINC000186475604 496011861 /nfs/dbraw/zinc/01/18/61/496011861.db2.gz CBNJQKKKACATKN-KRWDZBQOSA-N 2 0 366.509 3.407 20 0 FGADRP CC(C)(CNC(=O)NC1CC[NH+](C2CCCCC2)CC1)[NH+]1CCCCC1 ZINC000177314477 496015309 /nfs/dbraw/zinc/01/53/09/496015309.db2.gz OQPXACSZVQBBSK-UHFFFAOYSA-N 2 0 364.578 3.347 20 0 FGADRP O=C(NCC1([NH+]2CCSCC2)CCCCC1)Nc1ccc2c(c1)C[NH2+]C2 ZINC000580703214 505817968 /nfs/dbraw/zinc/81/79/68/505817968.db2.gz KJGKEEMCAGOFOS-UHFFFAOYSA-N 2 0 374.554 3.163 20 0 FGADRP Cc1ccccc1C[NH+]1CCC(NC(=O)C[NH+]2[C@H](C)CCC[C@H]2C)CC1 ZINC000171741324 496015641 /nfs/dbraw/zinc/01/56/41/496015641.db2.gz DJOLOOVSUUEHJL-RTBURBONSA-N 2 0 357.542 3.339 20 0 FGADRP OCC[NH+]1CCC(C[NH2+]C2c3ccccc3CCc3ccccc32)CC1 ZINC000180486572 496017502 /nfs/dbraw/zinc/01/75/02/496017502.db2.gz UOKVRUBPFHXFBI-UHFFFAOYSA-N 2 0 350.506 3.169 20 0 FGADRP CCOc1ccc([C@@H](C)[NH2+]C[C@@H](C)N2CC[NH+](CC)CC2)cc1OCC ZINC000155743260 496054088 /nfs/dbraw/zinc/05/40/88/496054088.db2.gz BJVWSGILPDQWRB-QZTJIDSGSA-N 2 0 363.546 3.161 20 0 FGADRP COc1cc(OC)c([C@@H](C)[NH2+][C@@H](C)CCN2CC[NH+](C)CC2)cc1Cl ZINC000186597662 496065110 /nfs/dbraw/zinc/06/51/10/496065110.db2.gz IYOFTGVYCLHSFT-LSDHHAIUSA-N 2 0 369.937 3.034 20 0 FGADRP C[C@@H](CCN[C@@H](C(=O)N(C)C)c1ccccc1)[N@H+](C)Cc1ccccc1 ZINC000177465474 496073200 /nfs/dbraw/zinc/07/32/00/496073200.db2.gz GNCIODIWUREYHL-GHTZIAJQSA-N 2 0 353.510 3.316 20 0 FGADRP CC(C)[NH+](CCC[NH2+][C@@H](C)c1ccc(NS(C)(=O)=O)cc1)C(C)C ZINC000155827519 496079794 /nfs/dbraw/zinc/07/97/94/496079794.db2.gz SUXGHJKZGIQAJM-INIZCTEOSA-N 2 0 355.548 3.218 20 0 FGADRP C[C@H]1C[NH+](CCC2CC[NH+](CCC(=O)Nc3ccccc3)CC2)C[C@H](C)O1 ZINC000177505366 496089644 /nfs/dbraw/zinc/08/96/44/496089644.db2.gz VPRDJXJYONIVOR-OALUTQOASA-N 2 0 373.541 3.227 20 0 FGADRP C[C@@H](CNC(=O)NC1CC[NH+](C2CCCCC2)CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000177507543 496091134 /nfs/dbraw/zinc/09/11/34/496091134.db2.gz SQUPBNDXJDYLNM-MSOLQXFVSA-N 2 0 364.578 3.203 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1)CC(C)C ZINC000155915058 496105780 /nfs/dbraw/zinc/10/57/80/496105780.db2.gz PXDCNDODTRSQAY-VQTJNVASSA-N 2 0 366.594 3.403 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1)CC(C)C ZINC000155915273 496106195 /nfs/dbraw/zinc/10/61/95/496106195.db2.gz PXDCNDODTRSQAY-WOJBJXKFSA-N 2 0 366.594 3.403 20 0 FGADRP CN(C)CC[NH+]1CCC(C[NH2+]Cc2ccc(Oc3ccccc3)o2)CC1 ZINC000180878348 496181957 /nfs/dbraw/zinc/18/19/57/496181957.db2.gz JHGLVKWGZLPMEA-UHFFFAOYSA-N 2 0 357.498 3.435 20 0 FGADRP Cc1nn(C)cc1[C@H](C)[NH2+]Cc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000177751472 496182707 /nfs/dbraw/zinc/18/27/07/496182707.db2.gz SJXLYBDFYUEXAL-BBWFWOEESA-N 2 0 356.514 3.189 20 0 FGADRP C[C@H]([NH2+]C1CCN(C)CC1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000161521880 496191240 /nfs/dbraw/zinc/19/12/40/496191240.db2.gz PXXABFJEDWYBKM-HNNXBMFYSA-N 2 0 350.528 3.148 20 0 FGADRP C[C@H](CC[NH2+][C@H](C)c1ccc(-n2cnnn2)cc1)[N@H+](C)Cc1ccccc1 ZINC000156223941 496192081 /nfs/dbraw/zinc/19/20/81/496192081.db2.gz HTLQUSXUILEQOS-QZTJIDSGSA-N 2 0 364.497 3.224 20 0 FGADRP CC[C@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)c1ccccc1F ZINC000180907187 496194386 /nfs/dbraw/zinc/19/43/86/496194386.db2.gz PPIOIZABLPDMEC-FQEVSTJZSA-N 2 0 357.473 3.358 20 0 FGADRP CC[NH+](CC)C[C@@H]1CCN(C(=O)c2ccccc2CC2CC[NH2+]CC2)C1 ZINC000569007865 505829360 /nfs/dbraw/zinc/82/93/60/505829360.db2.gz NJQWRUOADQRHQM-IBGZPJMESA-N 2 0 357.542 3.033 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1oc2ccccc2c1C[NH+](C)C ZINC000175010624 496205426 /nfs/dbraw/zinc/20/54/26/496205426.db2.gz UNPLYNKNDKULQO-MRXNPFEDSA-N 2 0 357.498 3.489 20 0 FGADRP Cc1cccc(CC[C@H](C)[NH2+]Cc2ccc(C(=O)NCC[NH+](C)C)cc2)c1 ZINC000180998820 496235959 /nfs/dbraw/zinc/23/59/59/496235959.db2.gz HTDREMNLVKHOOJ-IBGZPJMESA-N 2 0 367.537 3.397 20 0 FGADRP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000181028844 496246953 /nfs/dbraw/zinc/24/69/53/496246953.db2.gz FZHHIILRILZHSQ-QGZVFWFLSA-N 2 0 354.498 3.390 20 0 FGADRP C[C@@H]([NH2+]CCc1cn2c(n1)CCCC2)c1cccc(OCC[NH+](C)C)c1 ZINC000152760674 496248954 /nfs/dbraw/zinc/24/89/54/496248954.db2.gz KWLNVSUZIAMYFO-QGZVFWFLSA-N 2 0 356.514 3.053 20 0 FGADRP C[NH+](C)Cc1cccc(C(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2)c1 ZINC000156516645 496266498 /nfs/dbraw/zinc/26/64/98/496266498.db2.gz VKDABNFMWMWQCS-OAQYLSRUSA-N 2 0 351.494 3.143 20 0 FGADRP CC(C)[NH+]1CCC(NC(=O)NCC[C@@H](C)[N@H+](C)Cc2ccccc2)CC1 ZINC000175173368 496277480 /nfs/dbraw/zinc/27/74/80/496277480.db2.gz YGHAIYIKCIRNQH-GOSISDBHSA-N 2 0 360.546 3.069 20 0 FGADRP C[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1)c1ccsc1 ZINC000178007198 496284311 /nfs/dbraw/zinc/28/43/11/496284311.db2.gz YGSUJCILAPENII-QAPCUYQASA-N 2 0 357.523 3.296 20 0 FGADRP C[C@@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000162385049 496346963 /nfs/dbraw/zinc/34/69/63/496346963.db2.gz JVJACXDRWUKBBQ-VQIMIIECSA-N 2 0 361.555 3.342 20 0 FGADRP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+][C@@H]2CCO[C@H](C3CC3)C2)CC1 ZINC000156860803 496351052 /nfs/dbraw/zinc/35/10/52/496351052.db2.gz VZLPVEPKJBXCFK-UZLBHIALSA-N 2 0 363.933 3.139 20 0 FGADRP Cc1nc(Cc2ccccc2)sc1[C@@H](C)[NH2+]CCCN1CC[NH+](C)CC1 ZINC000162535219 496369376 /nfs/dbraw/zinc/36/93/76/496369376.db2.gz GCVFPJNZXIQKPG-QGZVFWFLSA-N 2 0 372.582 3.330 20 0 FGADRP CC[NH+]1CCN(c2ccc(C(=O)Nc3ccc([C@@H](C)[NH3+])cc3)cc2)CC1 ZINC000178220492 496374776 /nfs/dbraw/zinc/37/47/76/496374776.db2.gz YWBJKUIFGDVLFD-MRXNPFEDSA-N 2 0 352.482 3.101 20 0 FGADRP CC(=O)c1oc2ccccc2c1NC(=O)[C@H](C)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000578013465 505841268 /nfs/dbraw/zinc/84/12/68/505841268.db2.gz QOIDTCGWKWSBGW-CSFVBSKPSA-N 2 0 369.465 3.022 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)c1cccc(C[NH+](C)C)c1 ZINC000157094862 496404306 /nfs/dbraw/zinc/40/43/06/496404306.db2.gz AEOPNMVSORCVLG-LJQANCHMSA-N 2 0 365.521 3.485 20 0 FGADRP C[C@H]([NH2+]Cc1ccc2c(c1)CCC(=O)N2C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000187357117 496407636 /nfs/dbraw/zinc/40/76/36/496407636.db2.gz SYSKEFJKEZYGEK-LPHOPBHVSA-N 2 0 355.526 3.338 20 0 FGADRP CC(C)[NH2+]C1CCN(C(=O)N[C@@H](C[N@H+](C)Cc2ccccc2)C(C)C)CC1 ZINC000187481072 496460069 /nfs/dbraw/zinc/46/00/69/496460069.db2.gz ITRYATCGAQXHOH-NRFANRHFSA-N 2 0 374.573 3.315 20 0 FGADRP C[C@H]1CCC[N@H+](CCCCNC(=O)NC2CC[NH+](C3CCCC3)CC2)C1 ZINC000175614053 496465249 /nfs/dbraw/zinc/46/52/49/496465249.db2.gz UUBHIPNKUXHOCZ-SFHVURJKSA-N 2 0 364.578 3.205 20 0 FGADRP CC1(C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)CC[NH+](Cc2ccccc2)CC1 ZINC000163292831 496494241 /nfs/dbraw/zinc/49/42/41/496494241.db2.gz NQBOJLCZAOWJMW-HXUWFJFHSA-N 2 0 369.553 3.422 20 0 FGADRP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC2CC[NH+](C3CCCC3)CC2)C1 ZINC000175673276 496494726 /nfs/dbraw/zinc/49/47/26/496494726.db2.gz CTFBRQQQSLSHMV-KRWDZBQOSA-N 2 0 364.578 3.203 20 0 FGADRP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](Cc2ccc3c(c2)CCC3)CC1 ZINC000172984298 496509750 /nfs/dbraw/zinc/50/97/50/496509750.db2.gz GCLFYEWWTCDHND-UHFFFAOYSA-N 2 0 371.569 3.091 20 0 FGADRP CCOc1ccccc1NC(=O)[C@H](c1ccccc1)N1CC[C@H]([C@H](C)[NH3+])C1 ZINC000574757393 505848882 /nfs/dbraw/zinc/84/88/82/505848882.db2.gz GEKAECCXYZYUMT-MDKPJZGXSA-N 2 0 367.493 3.434 20 0 FGADRP C[C@@H](CNC(=O)NC1CC[NH+](C2CCCC2)CC1)[N@H+](C)Cc1ccccc1 ZINC000175753365 496529137 /nfs/dbraw/zinc/52/91/37/496529137.db2.gz GEDGMDWCJUFRQP-SFHVURJKSA-N 2 0 372.557 3.213 20 0 FGADRP CC(C)CC[NH+]1CCC(CNC(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)CC1 ZINC000175773255 496539509 /nfs/dbraw/zinc/53/95/09/496539509.db2.gz DFRFPSUXVJFZLJ-HXUWFJFHSA-N 2 0 366.594 3.260 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc2c(c1)CCC2 ZINC000157732240 496540166 /nfs/dbraw/zinc/54/01/66/496540166.db2.gz STWNRKNNTKHQDT-HXUWFJFHSA-N 2 0 358.530 3.055 20 0 FGADRP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000569093451 505850734 /nfs/dbraw/zinc/85/07/34/505850734.db2.gz XFAXHANIGXEWTR-WFZIFLONSA-N 2 0 350.466 3.268 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000157766094 496549259 /nfs/dbraw/zinc/54/92/59/496549259.db2.gz DXLDIWINAHGDRI-UTKZUKDTSA-N 2 0 366.509 3.390 20 0 FGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+][C@H](C)c2cn(C)nc2C)CC1 ZINC000178770444 496565575 /nfs/dbraw/zinc/56/55/75/496565575.db2.gz QQVIDRDSICDDQK-JKSUJKDBSA-N 2 0 373.520 3.421 20 0 FGADRP C[NH+]1CCN(c2cc(C[NH2+][C@@H]3CC[C@@](C)(c4ccccc4)C3)ccn2)CC1 ZINC000187781400 496568807 /nfs/dbraw/zinc/56/88/07/496568807.db2.gz UWQUXKKSOUFKOP-FYYLOGMGSA-N 2 0 364.537 3.433 20 0 FGADRP CC[C@@H](C(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccc(C)s2)C1)[NH+](CC)CC ZINC000571953272 505853890 /nfs/dbraw/zinc/85/38/90/505853890.db2.gz OILQMCWWBMJPIC-HKUYNNGSSA-N 2 0 365.587 3.457 20 0 FGADRP Cc1cccc(C[NH+]2CCC(NC(=O)[C@@H](C)[C@@H]([NH3+])c3ccccc3)CC2)c1 ZINC000164544077 496618182 /nfs/dbraw/zinc/61/81/82/496618182.db2.gz UQQWEMIAPCWMOI-PGRDOPGGSA-N 2 0 365.521 3.412 20 0 FGADRP [NH3+][C@@H](CCC(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1)c1ccccc1 ZINC000164536002 496618279 /nfs/dbraw/zinc/61/82/79/496618279.db2.gz DJHQLDCNEBCCMO-NRFANRHFSA-N 2 0 369.484 3.387 20 0 FGADRP C[C@H]([NH2+]C1(CN[C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)CCOCC1)c1ccccc1 ZINC000153931222 496626944 /nfs/dbraw/zinc/62/69/44/496626944.db2.gz RTLXWWHRCSXNDI-WERVVEIQSA-N 2 0 359.558 3.205 20 0 FGADRP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+]2CCCC[C@@H](C)C2)CC1 ZINC000187987891 496641473 /nfs/dbraw/zinc/64/14/73/496641473.db2.gz AYZYWDBECNGYIG-GOSISDBHSA-N 2 0 357.542 3.198 20 0 FGADRP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+]2CCCC[C@H](C)C2)CC1 ZINC000187987861 496641691 /nfs/dbraw/zinc/64/16/91/496641691.db2.gz AYZYWDBECNGYIG-SFHVURJKSA-N 2 0 357.542 3.198 20 0 FGADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H](C)c2cccc(Br)c2)CC1 ZINC000173321616 496642478 /nfs/dbraw/zinc/64/24/78/496642478.db2.gz NBHPKHJTIYKJFZ-LSDHHAIUSA-N 2 0 354.336 3.126 20 0 FGADRP O=C(NC1CC[NH+](C2CCCC2)CC1)NC1CC[NH+](C2CCCC2)CC1 ZINC000176016768 496643956 /nfs/dbraw/zinc/64/39/56/496643956.db2.gz MCZMTFCPYVUOIW-UHFFFAOYSA-N 2 0 362.562 3.100 20 0 FGADRP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2F)CC1)[C@@H]([NH3+])c1ccccc1 ZINC000165159731 496649986 /nfs/dbraw/zinc/64/99/86/496649986.db2.gz NLAHNOCQHUOPDK-IIBYNOLFSA-N 2 0 369.484 3.242 20 0 FGADRP C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000158210322 496650676 /nfs/dbraw/zinc/65/06/76/496650676.db2.gz BYNKIZRFNWZJBM-CVEARBPZSA-N 2 0 351.922 3.008 20 0 FGADRP C[C@@H](C[NH2+][C@@H](C)CC(=O)N(C)Cc1cccc(Cl)c1)C[NH+]1CCCC1 ZINC000165265679 496653555 /nfs/dbraw/zinc/65/35/55/496653555.db2.gz OGHMMTISYAEWKM-IRXDYDNUSA-N 2 0 365.949 3.399 20 0 FGADRP CC[NH+]1CCC(CCNC(=O)Nc2cccc(-c3nccn3C)c2)CC1 ZINC000176105377 496685687 /nfs/dbraw/zinc/68/56/87/496685687.db2.gz AJVAMLDGARYITF-UHFFFAOYSA-N 2 0 355.486 3.331 20 0 FGADRP CC[NH+](CC)C[C@@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2)C1 ZINC000173422405 496686502 /nfs/dbraw/zinc/68/65/02/496686502.db2.gz DHZJORUGURJMMD-LEWJYISDSA-N 2 0 357.542 3.231 20 0 FGADRP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)N[C@H](C[NH3+])c1ccc2ccccc2c1 ZINC000580882056 505860252 /nfs/dbraw/zinc/86/02/52/505860252.db2.gz JAIOHGXTFFMBHQ-NHCUHLMSSA-N 2 0 368.525 3.355 20 0 FGADRP C[C@H](CC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)C1CC[NH2+]CC1 ZINC000167546706 496703192 /nfs/dbraw/zinc/70/31/92/496703192.db2.gz BQUKQVOTBIUDBL-OPYAIIAOSA-N 2 0 357.542 3.182 20 0 FGADRP C[C@@H]([NH2+]CCCC[NH+]1CCN(CCO)CC1)c1cc(Cl)cc(Cl)c1 ZINC000168954453 496713583 /nfs/dbraw/zinc/71/35/83/496713583.db2.gz DIEGWZOMONMNGQ-OAHLLOKOSA-N 2 0 374.356 3.034 20 0 FGADRP COc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1cccnc1N1CC[NH+](C)CC1 ZINC000158519623 496718064 /nfs/dbraw/zinc/71/80/64/496718064.db2.gz MLBKVELPYVMVSW-NRFANRHFSA-N 2 0 366.509 3.009 20 0 FGADRP CN(CC[N@H+](C)C1CC1)C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000185289569 496724789 /nfs/dbraw/zinc/72/47/89/496724789.db2.gz ZELPBXSHRCFGNV-UHFFFAOYSA-N 2 0 372.557 3.298 20 0 FGADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N1CCC[C@@H]2C[NH+](C)CC[C@@H]21 ZINC000182305453 496728898 /nfs/dbraw/zinc/72/88/98/496728898.db2.gz ZZYNDSFGLMSRKI-RTWAWAEBSA-N 2 0 372.557 3.153 20 0 FGADRP COc1cc(Cl)c(C)cc1NC(=O)CC[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000246959533 496736132 /nfs/dbraw/zinc/73/61/32/496736132.db2.gz HTDXBVAICWYVMR-KBPBESRZSA-N 2 0 353.894 3.058 20 0 FGADRP CC[C@H](C(=O)Nc1ccc(OC)cc1)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000246975950 496740432 /nfs/dbraw/zinc/74/04/32/496740432.db2.gz VQLCFCBNPFTUAB-HBGVWJBISA-N 2 0 371.525 3.361 20 0 FGADRP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@H]1CCCC[NH+]1CC ZINC000247000556 496748408 /nfs/dbraw/zinc/74/84/08/496748408.db2.gz QCSUTTCWOYGYFG-LEWJYISDSA-N 2 0 357.542 3.231 20 0 FGADRP C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)CC2CC[NH+](C)CC2)C1 ZINC000273254292 496754621 /nfs/dbraw/zinc/75/46/21/496754621.db2.gz WQPYKRMOAXUPLL-GOSISDBHSA-N 2 0 357.542 3.267 20 0 FGADRP COc1ccc(OC)c([C@@H](C)[NH2+]CCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000247051539 496762807 /nfs/dbraw/zinc/76/28/07/496762807.db2.gz OXAHTTPRAWSVII-IXDOHACOSA-N 2 0 350.503 3.244 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+][C@@H]2CCN(Cc3ccccn3)C[C@H]2C)C1 ZINC000247059907 496766325 /nfs/dbraw/zinc/76/63/25/496766325.db2.gz NSUJBXLGGBIWBB-XAPVIXHLSA-N 2 0 358.574 3.250 20 0 FGADRP C[C@@H]([NH2+]Cc1cccc(C(=O)N(C)C)c1)c1cccc(OCC[NH+](C)C)c1 ZINC000268786149 496785921 /nfs/dbraw/zinc/78/59/21/496785921.db2.gz ZYLBLCUYIVOMPI-QGZVFWFLSA-N 2 0 369.509 3.180 20 0 FGADRP CC(C)[NH+]1CCN(CCC[N@H+](C)[C@H]2CCCN(c3ccccc3)C2)CC1 ZINC000191528177 496799273 /nfs/dbraw/zinc/79/92/73/496799273.db2.gz QSRWPCXIFNGTRU-QFIPXVFZSA-N 2 0 358.574 3.003 20 0 FGADRP CC[C@@H](C(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1)[N@H+](C)Cc1ccccc1 ZINC000574850101 505867957 /nfs/dbraw/zinc/86/79/57/505867957.db2.gz HBDAZBRCWQTNTA-RTWAWAEBSA-N 2 0 357.542 3.087 20 0 FGADRP C[N@@H+]1CCC[C@H](CNC(=O)Cc2cn3ccccc3n2)[C@H]1c1cccs1 ZINC000247265494 496819594 /nfs/dbraw/zinc/81/95/94/496819594.db2.gz FGSMFQNBJYDHOF-QRWLVFNGSA-N 2 0 368.506 3.138 20 0 FGADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]CCN3CCc4ccccc4C3=O)CC2)C1 ZINC000191616930 496833892 /nfs/dbraw/zinc/83/38/92/496833892.db2.gz SCFNHLHYDNMMRY-NQIIRXRSSA-N 2 0 369.553 3.318 20 0 FGADRP C[C@@H]1C[C@H](NC2CC[NH+](C[C@@H]3CCOC3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000268976391 496840193 /nfs/dbraw/zinc/84/01/93/496840193.db2.gz BSUNOSSQXKVJCB-UNWVZKJWSA-N 2 0 371.569 3.130 20 0 FGADRP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)[C@@H](C)[C@@H]([NH3+])c1ccccc1 ZINC000269243208 496903634 /nfs/dbraw/zinc/90/36/34/496903634.db2.gz CHUWGXSEMLGQDU-LAUBAEHRSA-N 2 0 366.509 3.021 20 0 FGADRP CCN1CC[NH+](CCCC[NH2+]C[C@H](C)Cc2ccc(OC)c(F)c2)CC1 ZINC000273803269 496913299 /nfs/dbraw/zinc/91/32/99/496913299.db2.gz VXIFXBVRGDOJMZ-GOSISDBHSA-N 2 0 365.537 3.020 20 0 FGADRP C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]C[C@H](c1cccs1)N(C)C ZINC000247888522 496925234 /nfs/dbraw/zinc/92/52/34/496925234.db2.gz DRRFGGOGAQDWAA-NZSAHSFTSA-N 2 0 358.555 3.246 20 0 FGADRP C[N@@H+]1CC[C@H](NC(=O)NCCC[NH2+]C2CCCCC2)[C@H]1c1ccccc1 ZINC000247964220 496933193 /nfs/dbraw/zinc/93/31/93/496933193.db2.gz DKMMZSRHXKSLRP-VQTJNVASSA-N 2 0 358.530 3.043 20 0 FGADRP CC[N@@H+]1CC[C@H](NCC2([NH2+][C@H](C)c3ccccc3)CCOCC2)[C@H](C)C1 ZINC000248121910 496956547 /nfs/dbraw/zinc/95/65/47/496956547.db2.gz NMGCXNJJQZBSOI-SBHAEUEKSA-N 2 0 359.558 3.206 20 0 FGADRP CC[NH+]1CCN(c2ccc(NC(=O)C[C@H]([NH3+])c3ccccc3)c(C)c2)CC1 ZINC000269516796 496963305 /nfs/dbraw/zinc/96/33/05/496963305.db2.gz QNMQPFBRHRXJAI-FQEVSTJZSA-N 2 0 366.509 3.166 20 0 FGADRP C[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1)c1ccsc1 ZINC000248199692 496971773 /nfs/dbraw/zinc/97/17/73/496971773.db2.gz YGSUJCILAPENII-CRAIPNDOSA-N 2 0 357.523 3.296 20 0 FGADRP C[C@H]1CC[N@H+](CCOc2ccc(NC(=O)c3ccc(C[NH3+])cc3)cc2)C1 ZINC000273975989 496978849 /nfs/dbraw/zinc/97/88/49/496978849.db2.gz SVBNRBFZVLQOMS-INIZCTEOSA-N 2 0 353.466 3.118 20 0 FGADRP C[NH+]1CCN(c2cc(C[NH2+][C@@H]3CC[C@H](Cc4ccccc4)C3)ccn2)CC1 ZINC000189046792 496990357 /nfs/dbraw/zinc/99/03/57/496990357.db2.gz GGVKYSMJOSSYSE-IFMALSPDSA-N 2 0 364.537 3.334 20 0 FGADRP CCNC(=O)C(C)(C)C[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000248402565 496996730 /nfs/dbraw/zinc/99/67/30/496996730.db2.gz NIOQFGQOFDNZPC-XUVXKRRUSA-N 2 0 357.542 3.039 20 0 FGADRP Cc1nn(C)c(C)c1C[C@H](C)[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000248409237 497000689 /nfs/dbraw/zinc/00/06/89/497000689.db2.gz FVVMZCTVRZRYIV-HZUHNNHMSA-N 2 0 366.553 3.468 20 0 FGADRP C[NH+](C)CCNC(=O)C1CC[NH+](CC2CCC(c3ccccc3)CC2)CC1 ZINC000189102195 497009342 /nfs/dbraw/zinc/00/93/42/497009342.db2.gz MHHKVMUNVLFNLY-UHFFFAOYSA-N 2 0 371.569 3.350 20 0 FGADRP COc1ccc([C@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CC[C@@H](O)C2)cc1OC ZINC000248435583 497010351 /nfs/dbraw/zinc/01/03/51/497010351.db2.gz FQTSRNKBWJZBKU-OXJNMPFZSA-N 2 0 370.493 3.121 20 0 FGADRP O[C@@H]1CC[N@H+](Cc2ccccc2C[NH2+][C@H]2CCCOc3cc(F)ccc32)C1 ZINC000248433636 497010411 /nfs/dbraw/zinc/01/04/11/497010411.db2.gz DIUJRIKQWGBJKM-CTNGQTDRSA-N 2 0 370.468 3.396 20 0 FGADRP CNc1cc(N2CCC[C@@H]2C[NH2+][C@@H](c2ccco2)c2ccccc2)ncn1 ZINC000248497384 497026684 /nfs/dbraw/zinc/02/66/84/497026684.db2.gz RHBGHFONKKEBFM-DYESRHJHSA-N 2 0 363.465 3.459 20 0 FGADRP COc1cccc2c1CC[C@H]([NH2+]Cc1ccccc1OCC[NH+](C)C)C2 ZINC000192441010 497115417 /nfs/dbraw/zinc/11/54/17/497115417.db2.gz IVECXFKZYVHSOC-IBGZPJMESA-N 2 0 354.494 3.283 20 0 FGADRP CC(C)[N@@H+]1CCCN(C(=O)Nc2ccc([C@@H](C)N3CCOCC3)cc2)CC1 ZINC000265428723 497118249 /nfs/dbraw/zinc/11/82/49/497118249.db2.gz ZUYTXZVWYIFJBX-GOSISDBHSA-N 2 0 374.529 3.028 20 0 FGADRP CC1(C)CN(C(=O)C[C@H]([NH3+])c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000236635520 497124302 /nfs/dbraw/zinc/12/43/02/497124302.db2.gz XXVNBXBNJANOKF-FQEVSTJZSA-N 2 0 351.494 3.200 20 0 FGADRP C[C@@H]1C[C@H](NCCC[NH+]2CCCO[C@H](C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000278471059 497126476 /nfs/dbraw/zinc/12/64/76/497126476.db2.gz JURMOCJZIAWDDK-KCZVDYSFSA-N 2 0 359.558 3.130 20 0 FGADRP CC(C)CC[NH+]1CCC(CNC(=O)C2(c3ccccc3)CC[NH2+]CC2)CC1 ZINC000236718094 497137603 /nfs/dbraw/zinc/13/76/03/497137603.db2.gz USKXIWCLADJBOT-UHFFFAOYSA-N 2 0 371.569 3.182 20 0 FGADRP CC1CC[NH+]([C@@H](CNC(=O)[C@@H]2CC23CC[NH2+]CC3)c2cccs2)CC1 ZINC000236727771 497138192 /nfs/dbraw/zinc/13/81/92/497138192.db2.gz PTOIHTSQYYPNOL-IRXDYDNUSA-N 2 0 361.555 3.027 20 0 FGADRP CC1(C)CCC([NH2+]Cc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)CC1 ZINC000236743249 497140479 /nfs/dbraw/zinc/14/04/79/497140479.db2.gz SWPKRSLXQUZXPF-LJQANCHMSA-N 2 0 357.542 3.442 20 0 FGADRP CCC(CC)(CNC(=O)C[C@H]1CSCC[NH2+]1)[NH2+][C@@H](C)c1ccccc1 ZINC000236845988 497155496 /nfs/dbraw/zinc/15/54/96/497155496.db2.gz VEXLHFLRMZYRJK-WMZOPIPTSA-N 2 0 363.571 3.107 20 0 FGADRP Cc1cnccc1OC1CCN(Cc2nc(-c3ccccc3)no2)CC1 ZINC000278583946 497157005 /nfs/dbraw/zinc/15/70/05/497157005.db2.gz KLJOHMQYHXBBAE-UHFFFAOYSA-N 2 0 350.422 3.483 20 0 FGADRP COc1ccc([C@@H](CCO)[NH2+][C@@H](C)c2ccc(OCC[NH+](C)C)cc2)cc1 ZINC000270634187 497165946 /nfs/dbraw/zinc/16/59/46/497165946.db2.gz MYSUEQUOTKNSIJ-HTAPYJJXSA-N 2 0 372.509 3.410 20 0 FGADRP C[C@H]([NH2+][C@@H]1CCC[C@@H](C(=O)N(C)C)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274911324 497197669 /nfs/dbraw/zinc/19/76/69/497197669.db2.gz NFQXQIJJGTYZQD-FYZZASKESA-N 2 0 357.542 3.134 20 0 FGADRP COc1ccccc1[C@H](CNC(=O)[C@H]1CCCCCC[C@@H]1[NH3+])[NH+]1CCCC1 ZINC000237260805 497210970 /nfs/dbraw/zinc/21/09/70/497210970.db2.gz ZMYQTNYUIULAKD-IHPCNDPISA-N 2 0 373.541 3.246 20 0 FGADRP CC(C)Oc1cccc(C[NH+]2CCC(N3CC[NH+](C(C)C)CC3)CC2)c1 ZINC000270836085 497212597 /nfs/dbraw/zinc/21/25/97/497212597.db2.gz DISJGGLXNOAQET-UHFFFAOYSA-N 2 0 359.558 3.464 20 0 FGADRP COc1ccc([C@H]2[C@@H](CNC(=O)CCCCCC[NH3+])CCC[N@@H+]2C)cc1 ZINC000237278892 497214364 /nfs/dbraw/zinc/21/43/64/497214364.db2.gz OEQJIHKOMZSZLC-NQIIRXRSSA-N 2 0 361.530 3.104 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)c1ccc(C[NH3+])cc1 ZINC000237344402 497222898 /nfs/dbraw/zinc/22/28/98/497222898.db2.gz BBCFNZPSPAAFCZ-QGZVFWFLSA-N 2 0 351.494 3.450 20 0 FGADRP COc1cccc2c1CCC[C@@H]2[NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000249640194 497229993 /nfs/dbraw/zinc/22/99/93/497229993.db2.gz XTXNRMWGLLEPIA-PCCBWWKXSA-N 2 0 358.526 3.430 20 0 FGADRP CC(C)[NH+]1CCN(C2CC[NH+](Cc3cc(-c4ccccc4)no3)CC2)CC1 ZINC000270941969 497230226 /nfs/dbraw/zinc/23/02/26/497230226.db2.gz RQQPMTPUQVOINO-UHFFFAOYSA-N 2 0 368.525 3.332 20 0 FGADRP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)C[C@H](C)C2CC[NH2+]CC2)CC1 ZINC000237401374 497230735 /nfs/dbraw/zinc/23/07/35/497230735.db2.gz HKAAOGSQNLHJSW-ZWKOTPCHSA-N 2 0 357.542 3.354 20 0 FGADRP C[C@@H](CNC(=O)NCCCC[N@@H+]1CCCC[C@@H]1C)C[NH+]1CCCCC1 ZINC000249686887 497232077 /nfs/dbraw/zinc/23/20/77/497232077.db2.gz JLFLRDVQBONTJF-OALUTQOASA-N 2 0 352.567 3.062 20 0 FGADRP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@H]1C)C(=O)NCC(F)(F)F ZINC000249773186 497246659 /nfs/dbraw/zinc/24/66/59/497246659.db2.gz USPFKVJOZNSJTK-HUUCEWRRSA-N 2 0 371.447 3.218 20 0 FGADRP C[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)CC[N@@H+]1Cc1ccccc1 ZINC000237529710 497251159 /nfs/dbraw/zinc/25/11/59/497251159.db2.gz OHKAUDZTXLFGCK-HZEGPAAWSA-N 2 0 355.526 3.030 20 0 FGADRP CC[C@](O)(C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccc(Br)cc1 ZINC000192959825 497260820 /nfs/dbraw/zinc/26/08/20/497260820.db2.gz LZXJBCKFYMRYPJ-FBVQUNGASA-N 2 0 367.331 3.262 20 0 FGADRP Cc1cccc(OC[C@H](O)CN2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)c1 ZINC000250292259 497264871 /nfs/dbraw/zinc/26/48/71/497264871.db2.gz UYABDRQOUVHPIA-LEWJYISDSA-N 2 0 360.542 3.179 20 0 FGADRP Cc1ccccc1C[NH+]1CCC(NC(=O)C[C@@H]([NH3+])c2ccccc2)CC1 ZINC000237727831 497283114 /nfs/dbraw/zinc/28/31/14/497283114.db2.gz PTKQTFLJJCRXLC-OAQYLSRUSA-N 2 0 351.494 3.166 20 0 FGADRP CC(C)(O)C[NH+](Cc1ccccc1C[N@@H+](CC(C)(C)O)C1CC1)C1CC1 ZINC000189901833 497286535 /nfs/dbraw/zinc/28/65/35/497286535.db2.gz CYARHFAZXSPZBF-UHFFFAOYSA-N 2 0 360.542 3.157 20 0 FGADRP CCCOc1cccc(C[NH+]2CCC(N3CC[NH+](C(C)C)CC3)CC2)c1 ZINC000271210231 497291766 /nfs/dbraw/zinc/29/17/66/497291766.db2.gz LORQYSFFWWYKSB-UHFFFAOYSA-N 2 0 359.558 3.466 20 0 FGADRP [NH3+][C@@H](Cc1ccccc1)C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000237809999 497294967 /nfs/dbraw/zinc/29/49/67/497294967.db2.gz TUAHBVOSKFSUAH-QFIPXVFZSA-N 2 0 365.521 3.249 20 0 FGADRP C[C@@H]([NH2+]CCOCC(F)(F)C(F)(F)F)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000189933488 497298107 /nfs/dbraw/zinc/29/81/07/497298107.db2.gz MRXJVAJNMIQLLX-OLZOCXBDSA-N 2 0 358.395 3.443 20 0 FGADRP CN(c1ccccc1C[N@@H+]1CCC2(C1)CCOCC2)C1CC[NH+](C)CC1 ZINC000271242169 497301083 /nfs/dbraw/zinc/30/10/83/497301083.db2.gz ZCCVGUOMIOBKAD-UHFFFAOYSA-N 2 0 357.542 3.220 20 0 FGADRP [NH3+][C@@H]1CCCCCC[C@@H]1C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000237859567 497304117 /nfs/dbraw/zinc/30/41/17/497304117.db2.gz HQAMYJRRGSQOED-VQTJNVASSA-N 2 0 361.505 3.204 20 0 FGADRP CC(C)(C)c1cnc(CNCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)s1 ZINC000279056806 497318686 /nfs/dbraw/zinc/31/86/86/497318686.db2.gz DUYOYWZTDPECEC-QGZVFWFLSA-N 2 0 359.539 3.297 20 0 FGADRP O=C(CCC1CC[NH2+]CC1)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000237959296 497320392 /nfs/dbraw/zinc/32/03/92/497320392.db2.gz GPDQYBDNPSPAJY-UHFFFAOYSA-N 2 0 357.542 3.459 20 0 FGADRP CC1CC[NH+](CCc2cccc(NC(=O)NC3CC[NH+](C)CC3)c2)CC1 ZINC000271391005 497336682 /nfs/dbraw/zinc/33/66/82/497336682.db2.gz LLXXJGYENIXXDL-UHFFFAOYSA-N 2 0 358.530 3.177 20 0 FGADRP CC[N@@H+]1CC[C@@H](N(C)Cc2cccc(C(=O)N3CCCCC3)c2)[C@@H](C)C1 ZINC000245427463 497399155 /nfs/dbraw/zinc/39/91/55/497399155.db2.gz MATSMJFRNRXIBD-GHTZIAJQSA-N 2 0 357.542 3.475 20 0 FGADRP COc1cc([C@@H](C)[NH2+]CCCN2CC[N@H+](C)C[C@@H]2c2ccccc2)ccn1 ZINC000575007559 505904368 /nfs/dbraw/zinc/90/43/68/505904368.db2.gz FAACFFQGSJHXMG-WIYYLYMNSA-N 2 0 368.525 3.120 20 0 FGADRP O=C(NC[C@H]1CCCN(Cc2cc(Cl)ccc2Cl)C1)[C@@H]1CCC[NH2+]1 ZINC000261626341 497422582 /nfs/dbraw/zinc/42/25/82/497422582.db2.gz GSPIFMSELBLGGN-DYVFJYSZSA-N 2 0 370.324 3.074 20 0 FGADRP O=C(Nc1ccc2c(c1F)CC[NH2+]C2)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000261772677 497447872 /nfs/dbraw/zinc/44/78/72/497447872.db2.gz RNWVQHSGWFXKJO-GOSISDBHSA-N 2 0 367.468 3.322 20 0 FGADRP C[NH+](C)Cc1ccc(C(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000193775762 497477599 /nfs/dbraw/zinc/47/75/99/497477599.db2.gz AZPAOPZMVWVYHV-HXUWFJFHSA-N 2 0 351.494 3.000 20 0 FGADRP C[NH2+]CCC1CC[NH+](CC(=O)N(C)[C@H](C)c2cc3ccccc3o2)CC1 ZINC000261989344 497488679 /nfs/dbraw/zinc/48/86/79/497488679.db2.gz LBWBBCRHXQQATB-MRXNPFEDSA-N 2 0 357.498 3.274 20 0 FGADRP CC[NH+](CC)CCCNC(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000245657746 497490673 /nfs/dbraw/zinc/49/06/73/497490673.db2.gz CUDZEBFMOYYPBP-FUHWJXTLSA-N 2 0 366.575 3.162 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N(C)CC[C@H]1CCCC[NH+]1C ZINC000245672446 497497159 /nfs/dbraw/zinc/49/71/59/497497159.db2.gz FNDBJKQQYXMQRR-RTBURBONSA-N 2 0 352.567 3.157 20 0 FGADRP O=C(Nc1ncc(C2CC[NH2+]CC2)s1)[C@H]1CCCN1Cc1ccccc1 ZINC000262094742 497506839 /nfs/dbraw/zinc/50/68/39/497506839.db2.gz SEZBPYLWVQKBOF-QGZVFWFLSA-N 2 0 370.522 3.213 20 0 FGADRP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC000245710054 497512543 /nfs/dbraw/zinc/51/25/43/497512543.db2.gz NAJSUWRUAOHWRS-GPJHCHHRSA-N 3 0 371.569 3.009 20 0 FGADRP CC1CC[NH+](C[C@H]2CCCN(C(=O)C3C[C@H]4CCC[C@@H](C3)C4[NH3+])C2)CC1 ZINC000262171295 497519028 /nfs/dbraw/zinc/51/90/28/497519028.db2.gz ASVLCWCWPGFCOW-WPOXQQAKSA-N 2 0 361.574 3.111 20 0 FGADRP CC1(C)CC(NC(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC(C)(C)[NH2+]1 ZINC000193923244 497520755 /nfs/dbraw/zinc/52/07/55/497520755.db2.gz LDFNDWMIYKZIIW-SFHVURJKSA-N 2 0 372.557 3.117 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)[C@H]([NH3+])c2ccccc2)cc1 ZINC000262202389 497523477 /nfs/dbraw/zinc/52/34/77/497523477.db2.gz WEQYLQUZFQLZBQ-DYESRHJHSA-N 2 0 351.494 3.377 20 0 FGADRP C[C@@H]1C[C@@H](NC(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000262261727 497531313 /nfs/dbraw/zinc/53/13/13/497531313.db2.gz JLXOJAMMAFNCGQ-WPJATSFPSA-N 2 0 369.553 3.309 20 0 FGADRP C[C@@H](CCc1ccc(C(F)(F)F)cc1)[NH2+]CCCN1CC[NH+](C)CC1 ZINC000193971388 497536269 /nfs/dbraw/zinc/53/62/69/497536269.db2.gz UTUHPVBLRAHTJY-INIZCTEOSA-N 2 0 357.464 3.254 20 0 FGADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H]1CCc2ccc(Br)cc21 ZINC000193989591 497540747 /nfs/dbraw/zinc/54/07/47/497540747.db2.gz HSNRGFIZDRQCCL-WBVHZDCISA-N 2 0 355.320 3.383 20 0 FGADRP C[C@H](C[NH2+][C@H](C)c1cc(Br)cs1)CN1CC[NH+](C)CC1 ZINC000194024613 497551675 /nfs/dbraw/zinc/55/16/75/497551675.db2.gz GKRFPCFKIQLMAX-CHWSQXEVSA-N 2 0 360.365 3.045 20 0 FGADRP C[C@@H]1CN(Cc2cccc(C[NH2+][C@@H]3[C@H]4CCCO[C@@H]4C3(C)C)c2)CCO1 ZINC000245933571 497577575 /nfs/dbraw/zinc/57/75/75/497577575.db2.gz SVNTYSBTRJVTHF-OTNPHJDUSA-N 2 0 358.526 3.201 20 0 FGADRP O=C(NCc1ccccc1C[NH+]1CCCCC1)[C@]12C[NH2+]C[C@@H]1CCCC2 ZINC000262591937 497579160 /nfs/dbraw/zinc/57/91/60/497579160.db2.gz WJKMMWYQMJAHJV-RBBKRZOGSA-N 2 0 355.526 3.069 20 0 FGADRP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](C[C@@H](O)COCc2ccco2)CC1 ZINC000245983798 497589564 /nfs/dbraw/zinc/58/95/64/497589564.db2.gz HGQZOIDVSCZPMR-AZUAARDMSA-N 2 0 364.530 3.134 20 0 FGADRP [NH3+][C@H](Cc1ccccc1)C(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000262648971 497590983 /nfs/dbraw/zinc/59/09/83/497590983.db2.gz QBEJJCQIDOPYHF-JOCHJYFZSA-N 2 0 365.521 3.249 20 0 FGADRP COc1ccc([C@H](CNC(=O)CC2(C[NH3+])CCCCC2)[NH+]2CCCC2)cc1 ZINC000262663184 497594139 /nfs/dbraw/zinc/59/41/39/497594139.db2.gz MIWFZJULMNCWDK-FQEVSTJZSA-N 2 0 373.541 3.248 20 0 FGADRP Cc1ccc([C@@H]([NH3+])C(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)cc1 ZINC000262670166 497595570 /nfs/dbraw/zinc/59/55/70/497595570.db2.gz RHCLPBANUKSOSI-QFBILLFUSA-N 2 0 357.523 3.085 20 0 FGADRP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@H]([NH3+])c1ccc(C)cc1 ZINC000262687541 497601137 /nfs/dbraw/zinc/60/11/37/497601137.db2.gz YIQZFLSURXVQAY-UNMCSNQZSA-N 2 0 365.521 3.365 20 0 FGADRP C[N@H+](Cc1ccccc1NC(=O)c1n[nH]c2c1C[NH2+]CC2)C1CCCCC1 ZINC000262806226 497625289 /nfs/dbraw/zinc/62/52/89/497625289.db2.gz SHQUSKKECXVBPH-UHFFFAOYSA-N 2 0 367.497 3.072 20 0 FGADRP C[NH+]1CCC(Nc2ccccc2NC(=O)C[C@@H]([NH3+])c2ccccc2)CC1 ZINC000262853607 497637424 /nfs/dbraw/zinc/63/74/24/497637424.db2.gz KJDGWCYHNYJRJL-GOSISDBHSA-N 2 0 352.482 3.221 20 0 FGADRP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](Cc2cc(Cl)cs2)CC1 ZINC000194353488 497642340 /nfs/dbraw/zinc/64/23/40/497642340.db2.gz DLGDBNBKBGOYEM-UHFFFAOYSA-N 2 0 371.978 3.318 20 0 FGADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N(C)[C@@H]1CC[NH+](C)C[C@@H]1C ZINC000246193198 497655539 /nfs/dbraw/zinc/65/55/39/497655539.db2.gz IOCZNUSWXBBTRK-FXAWDEMLSA-N 2 0 360.546 3.008 20 0 FGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]Cc2ccc(C(F)(F)F)cc2C)CC1 ZINC000190946210 497656342 /nfs/dbraw/zinc/65/63/42/497656342.db2.gz RIXRVBLCMOSASN-HNNXBMFYSA-N 2 0 357.464 3.377 20 0 FGADRP C[C@@H]1C[C@@H](NC(=O)NCC2(C)CC[NH+](C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000272672769 497697818 /nfs/dbraw/zinc/69/78/18/497697818.db2.gz PYJKHURBSPSPKH-QUCCMNQESA-N 2 0 372.557 3.071 20 0 FGADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)C1 ZINC000246346543 497703410 /nfs/dbraw/zinc/70/34/10/497703410.db2.gz FGBVLTZPOCIWOJ-WOJBJXKFSA-N 2 0 364.578 3.014 20 0 FGADRP COc1ccc2c(c1)CCC[C@@H]2[NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000246349295 497704255 /nfs/dbraw/zinc/70/42/55/497704255.db2.gz HOWYUTZLGACZOK-BHDDXSALSA-N 2 0 358.526 3.430 20 0 FGADRP C[C@H](CC[NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)c1ccccc1 ZINC000194563408 497705462 /nfs/dbraw/zinc/70/54/62/497705462.db2.gz UJIZPONLRNLIBJ-GOSISDBHSA-N 2 0 353.510 3.261 20 0 FGADRP CN(c1ccccc1CN[C@H]1CCC[C@@H]([NH+](C)C)C1)C1CC[NH+](C)CC1 ZINC000246367184 497709772 /nfs/dbraw/zinc/70/97/72/497709772.db2.gz GOJDWNWFYWSRNT-PZJWPPBQSA-N 2 0 358.574 3.179 20 0 FGADRP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000246393455 497719538 /nfs/dbraw/zinc/71/95/38/497719538.db2.gz SNLXBRZIFHLUJZ-JYRKZWEQSA-N 2 0 372.557 3.021 20 0 FGADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)NCC(C)(C)[NH+]2C[C@@H](C)C[C@H](C)C2)C1 ZINC000246456849 497739526 /nfs/dbraw/zinc/73/95/26/497739526.db2.gz UWCPZISPQWPPET-FHWLQOOXSA-N 2 0 366.594 3.116 20 0 FGADRP C[C@H](C(=O)Nc1ccc(F)c(F)c1)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246461562 497742011 /nfs/dbraw/zinc/74/20/11/497742011.db2.gz FLVMBVJWBVJAJI-TYILLQQXSA-N 2 0 363.452 3.241 20 0 FGADRP Cc1ccoc1C(=O)NCCC[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272853204 497745660 /nfs/dbraw/zinc/74/56/60/497745660.db2.gz SWVXKWLQWPZPCV-ICSRJNTNSA-N 2 0 369.509 3.208 20 0 FGADRP CC[NH+](CC)CCOc1ccc(C(=O)NC2CC[NH+](CC3CC3)CC2)cc1 ZINC000194706810 497745958 /nfs/dbraw/zinc/74/59/58/497745958.db2.gz MFJITXNKQSJZIL-UHFFFAOYSA-N 2 0 373.541 3.011 20 0 FGADRP C[C@@H](CNC(=O)[C@@H](C)[NH+]1CCC(C[NH+]2CCCC2)CC1)c1ccccc1 ZINC000194737882 497754740 /nfs/dbraw/zinc/75/47/40/497754740.db2.gz AKEGYSFYFNRPKJ-RBUKOAKNSA-N 2 0 357.542 3.103 20 0 FGADRP CC[N@@H+]1CC[C@@H](CNC(=O)c2cccc(C[NH+](C)Cc3ccccc3)c2)C1 ZINC000194812424 497779798 /nfs/dbraw/zinc/77/97/98/497779798.db2.gz FWDPTUIWMHQXMW-NRFANRHFSA-N 2 0 365.521 3.390 20 0 FGADRP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@@H](c3ccccc3)[C@@H](C)C2)CC1 ZINC000246610913 497788565 /nfs/dbraw/zinc/78/85/65/497788565.db2.gz GRKFBJQSNYRZPH-GHTZIAJQSA-N 2 0 357.542 3.101 20 0 FGADRP C[C@H](C(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]([NH3+])c1ccccc1 ZINC000246750996 497808005 /nfs/dbraw/zinc/80/80/05/497808005.db2.gz ZVZSKLIPLNJNEK-DWLFOUALSA-N 2 0 365.521 3.303 20 0 FGADRP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)CC(=O)N(C)Cc2cccc(Cl)c2)C1 ZINC000246836882 497815183 /nfs/dbraw/zinc/81/51/83/497815183.db2.gz BZZWEQSMSGWWDU-AEFFLSMTSA-N 2 0 365.949 3.399 20 0 FGADRP C[NH+](C)CCCOc1cnccc1C[NH2+]Cc1ccc(OCC2CC2)cc1 ZINC000288680272 497866286 /nfs/dbraw/zinc/86/62/86/497866286.db2.gz XALHDWYEGPHYKY-UHFFFAOYSA-N 2 0 369.509 3.491 20 0 FGADRP CN(CC1([NH+](C)C)CCC1)C(=O)[C@H]1CCn2c(cnc2-c2ccccc2)C1 ZINC000364261704 497867408 /nfs/dbraw/zinc/86/74/08/497867408.db2.gz LIQZWSQTYQPVTF-SFHVURJKSA-N 2 0 366.509 3.055 20 0 FGADRP C[C@H]1C[C@@H]([NH2+]CCCC[NH+]2CCN(Cc3ccccc3)CC2)c2nccn21 ZINC000296078205 497913455 /nfs/dbraw/zinc/91/34/55/497913455.db2.gz SLICKGRLZPGGBX-PZJWPPBQSA-N 2 0 367.541 3.077 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)[C@H]([NH3+])c1ccccc1C)c1cccc(OC)c1 ZINC000581307918 505957804 /nfs/dbraw/zinc/95/78/04/505957804.db2.gz LLLPRAYEWCNPFB-LEWJYISDSA-N 2 0 369.509 3.203 20 0 FGADRP Cn1cc(CC[NH2+][C@@H]2CCCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)cn1 ZINC000581340093 505965389 /nfs/dbraw/zinc/96/53/89/505965389.db2.gz DOUBVKZKGPCQPH-FDFHNCONSA-N 2 0 352.526 3.243 20 0 FGADRP Cc1cccc(NC2CCN([C@@H](C)C(=O)Nc3cccnc3Cl)CC2)n1 ZINC000364595569 498040979 /nfs/dbraw/zinc/04/09/79/498040979.db2.gz OZQPRHJXUMUWFJ-AWEZNQCLSA-N 2 0 373.888 3.342 20 0 FGADRP CC[C@@H](C)[NH+]1CCN(C(=O)Nc2ccc([C@@H](C)N3CCOCC3)cc2)CC1 ZINC000296568419 498099264 /nfs/dbraw/zinc/09/92/64/498099264.db2.gz GVCKDZJXTPGZRW-QZTJIDSGSA-N 2 0 374.529 3.028 20 0 FGADRP C[N@H+](C[C@H](O)COc1cccc2ccccc21)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285495207 498106151 /nfs/dbraw/zinc/10/61/51/498106151.db2.gz MHXOVVPGXIYDAI-XNMUZJSGSA-N 2 0 354.494 3.137 20 0 FGADRP C/C(=C\c1ccccc1OC(F)F)C[NH2+][C@@H](C)CCN1CC[NH+](C)CC1 ZINC000289489698 498166054 /nfs/dbraw/zinc/16/60/54/498166054.db2.gz KWVTZNYSTLGIFV-ZQHZRZASSA-N 2 0 367.484 3.307 20 0 FGADRP C[C@H]([NH3+])[C@H]1CCCN(C(=O)NCc2ccccc2C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000569675634 505990601 /nfs/dbraw/zinc/99/06/01/505990601.db2.gz FUHDLLNKWXDJAF-BJLQDIEVSA-N 2 0 372.557 3.330 20 0 FGADRP CCC[NH+]1CCN(C2CC[NH+](CC3(CCOC)CCCCC3)CC2)CC1 ZINC000364855035 498176105 /nfs/dbraw/zinc/17/61/05/498176105.db2.gz QBJICKZTIPTIFW-UHFFFAOYSA-N 2 0 365.606 3.465 20 0 FGADRP COc1ccc(OC(F)F)c(C[NH+]2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)c1 ZINC000575725470 505993302 /nfs/dbraw/zinc/99/33/02/505993302.db2.gz FQFAPYOCULFFTH-WMZOPIPTSA-N 2 0 370.440 3.015 20 0 FGADRP C[C@H]([NH2+]Cc1cccc(C[NH+]2CCCC2)c1)c1ccc2c(c1)OCC(=O)N2 ZINC000285791399 498201567 /nfs/dbraw/zinc/20/15/67/498201567.db2.gz UTJALJWSNYWZJV-INIZCTEOSA-N 2 0 365.477 3.464 20 0 FGADRP C[C@H](c1ccc(F)cc1F)[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000364947044 498223655 /nfs/dbraw/zinc/22/36/55/498223655.db2.gz UWHAYLHDSAZCIY-MRXNPFEDSA-N 2 0 351.485 3.375 20 0 FGADRP CN(C)[C@@H](C(=O)NC1CCN(c2ccccn2)CC1)c1ccc(Cl)cc1 ZINC000569738289 506004238 /nfs/dbraw/zinc/00/42/38/506004238.db2.gz IBWHEBBCXUCEDY-LJQANCHMSA-N 2 0 372.900 3.123 20 0 FGADRP CCc1c(C)[nH+]c2ccccc2c1N1CC[C@@H]([NH+]2CCN(CC)CC2)C1 ZINC000302051382 498385753 /nfs/dbraw/zinc/38/57/53/498385753.db2.gz OUHGVIOABARISZ-GOSISDBHSA-N 2 0 352.526 3.322 20 0 FGADRP CC(=O)Nc1nc(CN2CCC[C@@H](c3ncc4n3CCCC4)C2)cs1 ZINC000282148575 498400377 /nfs/dbraw/zinc/40/03/77/498400377.db2.gz SNKVXRHYWXGLPU-CQSZACIVSA-N 2 0 359.499 3.014 20 0 FGADRP O=C(NC1CC([NH+]2CCCCC2)C1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000365430776 498463676 /nfs/dbraw/zinc/46/36/76/498463676.db2.gz PQUQIOYHHLPWDR-QNGMFEMESA-N 2 0 355.526 3.032 20 0 FGADRP C[C@H](CC(=O)Nc1cccnc1Cl)[NH2+]CCCCC[NH+]1CCCC1 ZINC000293764998 498482262 /nfs/dbraw/zinc/48/22/62/498482262.db2.gz RPMJEMGEZVPQJR-OAHLLOKOSA-N 2 0 352.910 3.308 20 0 FGADRP CC(=O)NC1CCC([NH2+]C[C@H]2CCCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000290253951 498484337 /nfs/dbraw/zinc/48/43/37/498484337.db2.gz ULKDFTBRSKFNIZ-ITAUSPCMSA-N 2 0 357.542 3.326 20 0 FGADRP CC[C@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2)[C@@H]1CCOC1 ZINC000581681333 506043777 /nfs/dbraw/zinc/04/37/77/506043777.db2.gz KSKPQHNIMRYIBG-VSKRKVRLSA-N 2 0 372.553 3.320 20 0 FGADRP CCn1ccnc1[C@@H](C)[NH2+]CC1CC[NH+](Cc2ccc(OC)cc2)CC1 ZINC000297682745 498535402 /nfs/dbraw/zinc/53/54/02/498535402.db2.gz LNKRUZTXDKOKKB-QGZVFWFLSA-N 2 0 356.514 3.474 20 0 FGADRP Cc1ccc([C@H](C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)N2CCCC2)o1 ZINC000297702739 498541773 /nfs/dbraw/zinc/54/17/73/498541773.db2.gz QOYWGRABZMSLRM-FQEVSTJZSA-N 2 0 354.498 3.379 20 0 FGADRP C[NH+](C)CCN1CCC([NH2+][C@@H]2CCc3sc(Br)cc32)CC1 ZINC000293947213 498542109 /nfs/dbraw/zinc/54/21/09/498542109.db2.gz ZAWXGWXGGCHMLF-CQSZACIVSA-N 2 0 372.376 3.114 20 0 FGADRP C[C@@H]1CN(Cc2cccc(CNCc3c(F)ccc(O)c3F)c2)CCO1 ZINC000294167027 498608397 /nfs/dbraw/zinc/60/83/97/498608397.db2.gz IZLGADCYUQTBBM-CQSZACIVSA-N 2 0 362.420 3.181 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)[C@H]1CCCCCC[C@H]1[NH3+] ZINC000576043166 506062656 /nfs/dbraw/zinc/06/26/56/506062656.db2.gz DWTHYWGFKVJLFZ-PMXSJFBMSA-N 2 0 357.542 3.311 20 0 FGADRP CN(C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)[C@H](c1ncc[nH]1)c1ccccc1 ZINC000297980222 498627610 /nfs/dbraw/zinc/62/76/10/498627610.db2.gz OHLWSVNERGSFGN-IPQPSQTFSA-N 2 0 367.497 3.156 20 0 FGADRP CC(C)[C@@H](C(=O)Nc1cccc(NC(=O)CC[NH+]2CCCCC2)c1)[C@@H](C)[NH3+] ZINC000572838673 506065260 /nfs/dbraw/zinc/06/52/60/506065260.db2.gz GWQSFNVIQMCLSP-OXQOHEQNSA-N 2 0 374.529 3.059 20 0 FGADRP COc1ccc(-c2cnc(C[NH+]3CCC([C@H]4C[C@H]([NH3+])CCO4)CC3)o2)cc1 ZINC000578983775 506067560 /nfs/dbraw/zinc/06/75/60/506067560.db2.gz PFBCEIAMUKCKHY-IEBWSBKVSA-N 2 0 371.481 3.069 20 0 FGADRP O=C(C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)Nc1ccccc1Oc1ccccc1 ZINC000578988773 506068965 /nfs/dbraw/zinc/06/89/65/506068965.db2.gz OMLVOBZNGNSTNB-HDICACEKSA-N 2 0 365.477 3.349 20 0 FGADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]CCNc1ncc(C(F)(F)F)cc1Cl ZINC000572868542 506071231 /nfs/dbraw/zinc/07/12/31/506071231.db2.gz FZDPZORWSNBGCA-GWCFXTLKSA-N 2 0 350.816 3.273 20 0 FGADRP C[N@@H+]1CCC[C@]2(CCN(C(=O)C3(C)CC[NH+](Cc4ccccc4)CC3)C2)C1 ZINC000294367043 498672331 /nfs/dbraw/zinc/67/23/31/498672331.db2.gz ZFOQUDANHYCVAH-QHCPKHFHSA-N 2 0 369.553 3.233 20 0 FGADRP C[C@@H](C(=O)NCC(C)(C)[N@@H+]1CCc2ccccc2C1)[NH+]1CCCCCC1 ZINC000303567235 498693562 /nfs/dbraw/zinc/69/35/62/498693562.db2.gz OFRJPWKGLHZMMQ-SFHVURJKSA-N 2 0 357.542 3.204 20 0 FGADRP O=C1CCCN1C[C@@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1ccccc1 ZINC000298269829 498717038 /nfs/dbraw/zinc/71/70/38/498717038.db2.gz GICHRXQNTCBMPK-OAQYLSRUSA-N 2 0 364.493 3.004 20 0 FGADRP O=C(OCc1ccccc1)N1CCC([NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000303987672 498733755 /nfs/dbraw/zinc/73/37/55/498733755.db2.gz LYOSIEWEFOKDMI-PMACEKPBSA-N 2 0 357.498 3.004 20 0 FGADRP Cc1ccccc1[C@@H]([NH3+])C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000294719365 498782327 /nfs/dbraw/zinc/78/23/27/498782327.db2.gz BSMLQSYSBPKALI-QFBILLFUSA-N 2 0 357.523 3.085 20 0 FGADRP O=C(c1ccc(C[NH+]2CCCC2)cc1)N1CCC[C@@H]([NH+]2CCCCC2)C1 ZINC000363392075 498796488 /nfs/dbraw/zinc/79/64/88/498796488.db2.gz CLCHHAKIKDRSCV-OAQYLSRUSA-N 2 0 355.526 3.373 20 0 FGADRP Cc1cccc2oc(CC[NH2+][C@@H]3CC[N@@H+](C[C@H]4CCCO4)C[C@@H]3C)nc21 ZINC000366209438 498824425 /nfs/dbraw/zinc/82/44/25/498824425.db2.gz KDAILCGKBBPRQE-RCCFBDPRSA-N 2 0 357.498 3.158 20 0 FGADRP Cn1c2ccc(C[NH2+]C[C@@H]3CC[N@H+](C)[C@@H]3c3cccs3)cc2sc1=O ZINC000366275131 498853342 /nfs/dbraw/zinc/85/33/42/498853342.db2.gz ARPZSJMBIVNUHC-KSSFIOAISA-N 2 0 373.547 3.444 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+])Cc1ccccc1 ZINC000570158009 506104024 /nfs/dbraw/zinc/10/40/24/506104024.db2.gz ISJUEILAFIELCZ-BJOMATTFSA-N 2 0 371.569 3.209 20 0 FGADRP COc1cc(Br)c(CNC2C[C@H]3CC[C@@H](C2)[N@H+]3C)c(OC)c1 ZINC000295031219 498885980 /nfs/dbraw/zinc/88/59/80/498885980.db2.gz NXLVTXGCECEIAU-YHWZYXNKSA-N 2 0 369.303 3.181 20 0 FGADRP Cc1ccccc1[C@H]([NH3+])C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000295174398 498931909 /nfs/dbraw/zinc/93/19/09/498931909.db2.gz LVWIDYAUXSZWEE-GFSYIJCISA-N 2 0 363.505 3.307 20 0 FGADRP C[NH+]1CCC2(CC1)C[C@H](N[C@H]1CC[N@@H+]3CCC[C@@H]3C1)c1ccccc1O2 ZINC000366467135 498940888 /nfs/dbraw/zinc/94/08/88/498940888.db2.gz BFJCCOSBIXQIGQ-NSHGMRRFSA-N 2 0 355.526 3.191 20 0 FGADRP Cc1cc2c(cc1C)[C@@H]([NH2+][C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)CCS2 ZINC000333251618 498953014 /nfs/dbraw/zinc/95/30/14/498953014.db2.gz GWSXBPACGINZFU-UEXGIBASSA-N 2 0 373.566 3.077 20 0 FGADRP CC1CC[NH+]([C@@H](CNC(=O)c2ccccc2CC[NH3+])c2cccs2)CC1 ZINC000573102617 506119410 /nfs/dbraw/zinc/11/94/10/506119410.db2.gz ZNSAMSLQDDXJHW-IBGZPJMESA-N 2 0 371.550 3.452 20 0 FGADRP C[C@H](C(=O)Nc1ccccc1NC1CC[NH+](C)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000299149520 498979103 /nfs/dbraw/zinc/97/91/03/498979103.db2.gz YRHTZJJJHSWRLS-IXDOHACOSA-N 2 0 358.530 3.393 20 0 FGADRP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)NC[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)C1 ZINC000582052537 506122552 /nfs/dbraw/zinc/12/25/52/506122552.db2.gz FRFDKCROXSHOSY-SESVDKBCSA-N 2 0 372.557 3.058 20 0 FGADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+]Cc1cnc(-c2ccc(Cl)cc2)s1 ZINC000283797137 498984480 /nfs/dbraw/zinc/98/44/80/498984480.db2.gz BAUOTRFFPPJNLA-CQSZACIVSA-N 2 0 364.946 3.189 20 0 FGADRP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1oc2ccccc2c1C[NH+](C)C ZINC000288365011 499004644 /nfs/dbraw/zinc/00/46/44/499004644.db2.gz KXHDZZBNJCLAJM-CVEARBPZSA-N 2 0 355.482 3.193 20 0 FGADRP C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1oc2ccccc2c1C[NH+](C)C ZINC000288365015 499005187 /nfs/dbraw/zinc/00/51/87/499005187.db2.gz KXHDZZBNJCLAJM-HOTGVXAUSA-N 2 0 355.482 3.193 20 0 FGADRP COc1cc(C[NH2+]CCCC[NH+](C)C)ccc1OCc1c(C)noc1C ZINC000299345262 499030483 /nfs/dbraw/zinc/03/04/83/499030483.db2.gz PLHXVPZWTCGDIL-UHFFFAOYSA-N 2 0 361.486 3.310 20 0 FGADRP CC(=O)N1CCC(C[NH2+]C2CCC([N@H+](C)Cc3ccccc3)CC2)CC1 ZINC000284028623 499033309 /nfs/dbraw/zinc/03/33/09/499033309.db2.gz JDVPIGMXNGBOBY-UHFFFAOYSA-N 2 0 357.542 3.278 20 0 FGADRP c1ccc(C[N@@H+]2CCCO[C@@H](CN3CCC[NH+](C4CCCC4)CC3)C2)cc1 ZINC000284302153 499085213 /nfs/dbraw/zinc/08/52/13/499085213.db2.gz ZFOJZJKTNZAFQD-QHCPKHFHSA-N 2 0 371.569 3.228 20 0 FGADRP C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000367065918 499142792 /nfs/dbraw/zinc/14/27/92/499142792.db2.gz HKOUCANVAFCYOT-JFIYKMOQSA-N 2 0 351.535 3.096 20 0 FGADRP Cc1c[nH+]ccc1N1CCC(C(=O)N[C@@H](C[NH+](C)C)c2ccccc2)CC1 ZINC000369941285 499155119 /nfs/dbraw/zinc/15/51/19/499155119.db2.gz CVQPGOSFOFPHBZ-FQEVSTJZSA-N 2 0 366.509 3.026 20 0 FGADRP Cc1nccn1CCCC[NH+]1CCC(C(=O)Nc2cccc(F)c2)CC1 ZINC000367215614 499162982 /nfs/dbraw/zinc/16/29/82/499162982.db2.gz JYBQHKNFWRRGPT-UHFFFAOYSA-N 2 0 358.461 3.462 20 0 FGADRP C[C@H](C[NH2+][C@H]1CCCOc2c3ccccc3ccc21)N1CC[NH+](C)CC1 ZINC000372771136 499173279 /nfs/dbraw/zinc/17/32/79/499173279.db2.gz XFDLCDSUTBOSCH-UTKZUKDTSA-N 2 0 353.510 3.279 20 0 FGADRP COc1ccc(C[NH+]2CCC(C[NH2+][C@H]3CCC34CCOCC4)CC2)cc1 ZINC000570296425 506136252 /nfs/dbraw/zinc/13/62/52/506136252.db2.gz LLHNSZVPBDUIEH-NRFANRHFSA-N 2 0 358.526 3.456 20 0 FGADRP CC[N@H+](C)C[C@H]1CCN(C(=O)NC2CC[NH+](CC3CCCCC3)CC2)C1 ZINC000370113938 499182601 /nfs/dbraw/zinc/18/26/01/499182601.db2.gz SMKSKEFGQHYPBI-LJQANCHMSA-N 2 0 364.578 3.014 20 0 FGADRP CCC[C@]1(CO)CC[NH+](CCCCC[N@H+]2CC[C@@](CO)(CCC)C2)C1 ZINC000367369954 499189633 /nfs/dbraw/zinc/18/96/33/499189633.db2.gz JJAKQVMIRVQXIE-SFTDATJTSA-N 2 0 354.579 3.126 20 0 FGADRP Cc1ccc(-c2n[nH]cc2C[N@@H+](C)C2CCN(c3ccccn3)CC2)o1 ZINC000367422344 499197295 /nfs/dbraw/zinc/19/72/95/499197295.db2.gz JTSQKQHHABEEPZ-UHFFFAOYSA-N 2 0 351.454 3.474 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N1CCC(c2c[nH]cn2)CC1)c1ccccc1 ZINC000370226055 499199335 /nfs/dbraw/zinc/19/93/35/499199335.db2.gz BNTYHHFYHXHLGE-HXUWFJFHSA-N 2 0 369.513 3.382 20 0 FGADRP C[C@H](NC(=O)NC[C@@H]1CC[N@H+](C)[C@@H]1c1cccs1)C(C)(C)C[NH+](C)C ZINC000370300074 499207091 /nfs/dbraw/zinc/20/70/91/499207091.db2.gz HYGAPDSBOFXYBV-ZOBUZTSGSA-N 2 0 366.575 3.016 20 0 FGADRP COC(=O)c1csc([C@H](C)[NH2+]C2CCN(Cc3ccccn3)CC2)c1 ZINC000367602296 499216519 /nfs/dbraw/zinc/21/65/19/499216519.db2.gz SNUOGBXRNOQEHO-AWEZNQCLSA-N 2 0 359.495 3.245 20 0 FGADRP C[NH+]1CCN(C[C@@H]2CCC[N@H+](CCOc3cccc4ccccc43)C2)CC1 ZINC000367675336 499223776 /nfs/dbraw/zinc/22/37/76/499223776.db2.gz ZEMTYSZHTFITOQ-HXUWFJFHSA-N 2 0 367.537 3.178 20 0 FGADRP C[C@@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccc(Br)s1 ZINC000370624700 499236690 /nfs/dbraw/zinc/23/66/90/499236690.db2.gz OGLNYVQPFSGDPV-CHWSQXEVSA-N 2 0 372.376 3.330 20 0 FGADRP C[C@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccccc1OC(F)(F)F ZINC000370624043 499236715 /nfs/dbraw/zinc/23/67/15/499236715.db2.gz GELMMSJIUWXGEX-GJZGRUSLSA-N 2 0 371.447 3.404 20 0 FGADRP C[NH2+]CCCC(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000370775630 499253389 /nfs/dbraw/zinc/25/33/89/499253389.db2.gz WYENJKFOSKOQHC-YJBOKZPZSA-N 2 0 371.447 3.204 20 0 FGADRP COCC[C@]1(C(=O)Nc2ccc(C[NH+]3CCCCCC3)cc2)CC[NH2+]C1 ZINC000370782220 499253976 /nfs/dbraw/zinc/25/39/76/499253976.db2.gz SIGWWOWGVSIDEO-OAQYLSRUSA-N 2 0 359.514 3.017 20 0 FGADRP COc1cc(C[NH2+]C[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)cc(OC)c1O ZINC000368030440 499257382 /nfs/dbraw/zinc/25/73/82/499257382.db2.gz NSLIWSJWZTXCDK-LPHOPBHVSA-N 2 0 370.493 3.410 20 0 FGADRP CC1CC[NH+](C2CCC([NH2+]Cc3ncc(C4OCCO4)s3)CC2)CC1 ZINC000368031872 499257470 /nfs/dbraw/zinc/25/74/70/499257470.db2.gz WIQIVHITTDAMFO-UHFFFAOYSA-N 2 0 365.543 3.321 20 0 FGADRP COc1ccc2c(c1)OCCC[C@@H]2NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000368212645 499274559 /nfs/dbraw/zinc/27/45/59/499274559.db2.gz PHBBSWLIHGPGIX-PCCBWWKXSA-N 2 0 374.525 3.266 20 0 FGADRP C(CC[NH+]1CCC([C@@H]2CCOC2)CC1)C[NH+]1CCC([C@@H]2CCOC2)CC1 ZINC000368263498 499279574 /nfs/dbraw/zinc/27/95/74/499279574.db2.gz KXZNHDHWFZPMNA-FGZHOGPDSA-N 2 0 364.574 3.264 20 0 FGADRP C[C@@H](O)c1cnc(C[NH2+]CC2CC[NH+](CCc3ccccc3)CC2)s1 ZINC000368291316 499282363 /nfs/dbraw/zinc/28/23/63/499282363.db2.gz MZBDBMNRDJHHAS-MRXNPFEDSA-N 2 0 359.539 3.241 20 0 FGADRP CCC1(CNC(=O)C2CC[NH+](C)CC2)CC[NH+](Cc2ccccc2)CC1 ZINC000371110489 499289451 /nfs/dbraw/zinc/28/94/51/499289451.db2.gz YZSYONMLMGLPES-UHFFFAOYSA-N 2 0 357.542 3.137 20 0 FGADRP COc1cc(C[NH2+]C[C@H]2CC[N@H+](C)[C@H]2c2cccs2)cc(OC)c1O ZINC000368575174 499309278 /nfs/dbraw/zinc/30/92/78/499309278.db2.gz INWCAZYRLQOQIR-RDTXWAMCSA-N 2 0 362.495 3.254 20 0 FGADRP COc1cc(C[NH2+]C[C@@H]2CC[N@H+](C)[C@H]2c2cccs2)cc(OC)c1O ZINC000368575171 499309333 /nfs/dbraw/zinc/30/93/33/499309333.db2.gz INWCAZYRLQOQIR-KBXCAEBGSA-N 2 0 362.495 3.254 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCc1cnc(C2CC2)nc1 ZINC000371460001 499329590 /nfs/dbraw/zinc/32/95/90/499329590.db2.gz WRQSMLPFOZRALZ-DYESRHJHSA-N 2 0 350.510 3.397 20 0 FGADRP C[C@H]([NH2+]C[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1)c1ccc(-n2cnnn2)cc1 ZINC000371514896 499336610 /nfs/dbraw/zinc/33/66/10/499336610.db2.gz QTEMSFAKMBODGT-LRQRDZAKSA-N 2 0 362.481 3.006 20 0 FGADRP C[C@H]1CCC[N@@H+]1C1CCN(C(=O)c2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000372079898 499396820 /nfs/dbraw/zinc/39/68/20/499396820.db2.gz JBVHVUVXEACUQU-SFHVURJKSA-N 2 0 355.526 3.371 20 0 FGADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC([C@H]2CCCCCN2C(=O)C2CC2)CC1 ZINC000372424839 499433313 /nfs/dbraw/zinc/43/33/13/499433313.db2.gz IMVIRSMFJMGYQC-NHCUHLMSSA-N 2 0 361.574 3.364 20 0 FGADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC([C@@H]2CCCCCN2C(=O)C2CC2)CC1 ZINC000372424841 499433374 /nfs/dbraw/zinc/43/33/74/499433374.db2.gz IMVIRSMFJMGYQC-SFTDATJTSA-N 2 0 361.574 3.364 20 0 FGADRP Cc1cc(C)cc(OCCC[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)c1 ZINC000369766949 499441728 /nfs/dbraw/zinc/44/17/28/499441728.db2.gz PACVCTHEXWMSEQ-IRLDBZIGSA-N 2 0 359.558 3.030 20 0 FGADRP COc1ccc2c(c1)[C@H]([NH2+]C[C@H]1CCC[C@@H]1N1CCOCC1)CCS2 ZINC000373637915 499481185 /nfs/dbraw/zinc/48/11/85/499481185.db2.gz JZNQGPUTCSPIIC-LZQZEXGQSA-N 2 0 362.539 3.323 20 0 FGADRP Cc1nc(CN2CCC(C[NH2+][C@@H](c3nccn3C)C3CC3)CC2)cs1 ZINC000378442744 499517341 /nfs/dbraw/zinc/51/73/41/499517341.db2.gz PBKHOTSBIWPGMG-GOSISDBHSA-N 2 0 359.543 3.138 20 0 FGADRP C[NH+](C)CCOc1ccccc1C(=O)Nc1cccc2c1C[N@@H+](C1CC1)C2 ZINC000378530544 499528765 /nfs/dbraw/zinc/52/87/65/499528765.db2.gz RDSZTXGCGJHOGO-UHFFFAOYSA-N 2 0 365.477 3.357 20 0 FGADRP C[C@@H]1C[C@H](NC(=O)[C@H]([NH3+])CC2CCCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000379676785 499542936 /nfs/dbraw/zinc/54/29/36/499542936.db2.gz AWNBERMDCQDTBD-DUXKGJEZSA-N 2 0 357.542 3.453 20 0 FGADRP O[C@H](C[NH2+]C[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)COc1ccccc1 ZINC000380852675 499544101 /nfs/dbraw/zinc/54/41/01/499544101.db2.gz CNDHNLOOIKWDFU-FCHUYYIVSA-N 2 0 368.521 3.318 20 0 FGADRP C[NH2+]CCc1ccccc1C(=O)N1CCC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000382765296 499546187 /nfs/dbraw/zinc/54/61/87/499546187.db2.gz RSCHOORJDWIVSN-IBGZPJMESA-N 2 0 365.521 3.185 20 0 FGADRP C[C@H](CC(=O)N1CCC[N@H+](Cc2ccccc2)C[C@H]1C)[C@@H]1CCC[NH2+]C1 ZINC000382732934 499546216 /nfs/dbraw/zinc/54/62/16/499546216.db2.gz DAHIGKXNTKNVRO-SFHLNBCPSA-N 2 0 357.542 3.135 20 0 FGADRP O[C@@H](C[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1)COc1ccc(Cl)cc1 ZINC000388330963 499550707 /nfs/dbraw/zinc/55/07/07/499550707.db2.gz RNEFQWAQLJCCAR-QUCCMNQESA-N 2 0 374.912 3.191 20 0 FGADRP OC1(C[NH2+][C@@H]2CCc3c2cccc3F)CC[NH+](Cc2ccccc2)CC1 ZINC000397498591 499564347 /nfs/dbraw/zinc/56/43/47/499564347.db2.gz SWKFNAOUPMHVNE-OAQYLSRUSA-N 2 0 354.469 3.430 20 0 FGADRP CCCCc1nc(CN2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)cs1 ZINC000375902423 499566774 /nfs/dbraw/zinc/56/67/74/499566774.db2.gz FODHMURQSUMOIS-GOSISDBHSA-N 2 0 350.576 3.086 20 0 FGADRP CC(C)[NH+]1CCN([C@H]2CC[N@H+](CCCOc3cccc(Cl)c3)C2)CC1 ZINC000375907125 499567574 /nfs/dbraw/zinc/56/75/74/499567574.db2.gz RJRFMSJHHPYAHF-IBGZPJMESA-N 2 0 365.949 3.209 20 0 FGADRP CCO[C@@H]1C[C@H]([NH2+]CCC2CC[NH+](C3CCN(C)CC3)CC2)C12CCC2 ZINC000376168587 499588492 /nfs/dbraw/zinc/58/84/92/499588492.db2.gz XLQDJWUOHLCIFI-LEWJYISDSA-N 2 0 363.590 3.120 20 0 FGADRP OC1CC[NH+](Cc2ccc(C[NH2+]C3CCC4(CCCO4)CC3)cc2)CC1 ZINC000376413750 499606972 /nfs/dbraw/zinc/60/69/72/499606972.db2.gz XAMAVJHFSKMBIE-UHFFFAOYSA-N 2 0 358.526 3.225 20 0 FGADRP c1c[nH]c([C@@H](NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c2ccncc2)n1 ZINC000376417084 499607187 /nfs/dbraw/zinc/60/71/87/499607187.db2.gz WPTRJXIGYAKWDB-FPOVZHCZSA-N 2 0 361.493 3.396 20 0 FGADRP C[C@@H](Cc1ccccc1C(F)(F)F)[NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000376674148 499627721 /nfs/dbraw/zinc/62/77/21/499627721.db2.gz UFWZSYMRXVROPO-DOTOQJQBSA-N 2 0 369.475 3.395 20 0 FGADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+]C[C@H](CO)c2cccnc2)CC1 ZINC000376803061 499635443 /nfs/dbraw/zinc/63/54/43/499635443.db2.gz UJJYFBILCFTYJH-ITAUSPCMSA-N 2 0 353.510 3.190 20 0 FGADRP CC[NH+](CC)CCN(CCC(F)(F)F)N1C[C@@H]([NH+]2CCCC2)C[C@H]1C ZINC000377057546 499657651 /nfs/dbraw/zinc/65/76/51/499657651.db2.gz QYTWEFDTWKUIEG-SJORKVTESA-N 2 0 364.500 3.056 20 0 FGADRP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CCN(C)[C@H]2c2cccnc2)C[C@@H]1C ZINC000377255746 499674537 /nfs/dbraw/zinc/67/45/37/499674537.db2.gz JAYDKNQQMJZYDH-FLNBYBTLSA-N 2 0 359.514 3.032 20 0 FGADRP COc1cc(C[NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc(OC)c1O ZINC000377336616 499681087 /nfs/dbraw/zinc/68/10/87/499681087.db2.gz KUDZPQOCWJCHKN-KRWDZBQOSA-N 2 0 356.466 3.021 20 0 FGADRP COc1ccc2c(c1)CCC[C@H]2[N@H+](C)C1CCN(CCn2cccn2)CC1 ZINC000377404323 499687219 /nfs/dbraw/zinc/68/72/19/499687219.db2.gz YDOGOQIZVNZOQY-JOCHJYFZSA-N 2 0 368.525 3.366 20 0 FGADRP COc1ccc(O)cc1[C@H](C)[NH2+][C@@H]1CCCN(c2cc(C)nc(C)n2)C1 ZINC000377543826 499702560 /nfs/dbraw/zinc/70/25/60/499702560.db2.gz SLJHHMHPWFQQBE-GOEBONIOSA-N 2 0 356.470 3.127 20 0 FGADRP Cc1nccn1-c1ccc([C@H](C)[N@@H+]2CCCC[C@H]2[C@H]2CNC(=O)C2)cc1 ZINC000377550176 499703507 /nfs/dbraw/zinc/70/35/07/499703507.db2.gz OCELXKRLEFRUBM-CVAIRZPRSA-N 2 0 352.482 3.232 20 0 FGADRP Cc1cnc2cc(C(=O)NC(C)(C)C[N@H+](C)Cc3ccccc3)ccn12 ZINC000573264628 506157085 /nfs/dbraw/zinc/15/70/85/506157085.db2.gz DXGIGZYMGOZIJR-UHFFFAOYSA-N 2 0 350.466 3.283 20 0 FGADRP CCCNC(=O)CCC[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000411328807 499726355 /nfs/dbraw/zinc/72/63/55/499726355.db2.gz QGQPVYIVLCEJJH-RTWAWAEBSA-N 2 0 357.542 3.279 20 0 FGADRP COC[C@H]([NH2+]C[C@H]1CCCC[N@H+](Cc2ccccc2)C1)C1CCOCC1 ZINC000377741913 499727196 /nfs/dbraw/zinc/72/71/96/499727196.db2.gz XDNQMJAOJYITLK-IRLDBZIGSA-N 2 0 360.542 3.320 20 0 FGADRP CCN1C[C@H](C)[NH+](CC[C@@H](C)CC[N@@H+]2C[C@H](C)N(CC)C[C@@H]2C)C[C@H]1C ZINC000411416649 499737249 /nfs/dbraw/zinc/73/72/49/499737249.db2.gz CZYUWGLSEBCWCI-CUUWFGFTSA-N 2 0 366.638 3.232 20 0 FGADRP CC(C)[NH+]1CCC(NC(=O)C[NH2+][C@H](C)c2cccc3ccccc32)CC1 ZINC000411435466 499739930 /nfs/dbraw/zinc/73/99/30/499739930.db2.gz DBYAAOWTBWPBEY-QGZVFWFLSA-N 2 0 353.510 3.479 20 0 FGADRP CC(C)[NH+]1CCC(NC(=O)C[NH2+][C@@H](C)c2ccc(C(F)(F)F)cc2)CC1 ZINC000411458728 499743400 /nfs/dbraw/zinc/74/34/00/499743400.db2.gz MDHCSSLZDGALMP-AWEZNQCLSA-N 2 0 371.447 3.345 20 0 FGADRP C[C@@H]1C[N@H+](CCn2ccc3cc(Cl)ccc32)CCN1C1CC[NH+](C)CC1 ZINC000377870592 499743881 /nfs/dbraw/zinc/74/38/81/499743881.db2.gz VTRVNWBIZZYXDY-QGZVFWFLSA-N 2 0 374.960 3.395 20 0 FGADRP CC[NH+]1CCC(NC(=O)C[NH2+][C@H](c2ccc(Cl)cc2)[C@H]2C[C@H]2C)CC1 ZINC000411476185 499745500 /nfs/dbraw/zinc/74/55/00/499745500.db2.gz GNBUVXYDGPGUSX-HEFCMCLBSA-N 2 0 363.933 3.227 20 0 FGADRP CCOC(=O)C[C@@H]1C[C@H](OC)C[N@@H+]1Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411558929 499763122 /nfs/dbraw/zinc/76/31/22/499763122.db2.gz MQCOVKUEJSLFRX-SFTDATJTSA-N 2 0 374.525 3.215 20 0 FGADRP CCOC(=O)C[C@@H]1C[C@H](OC)C[N@@H+]1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411561809 499763437 /nfs/dbraw/zinc/76/34/37/499763437.db2.gz RNAQQPVIHMLLDL-SFTDATJTSA-N 2 0 374.525 3.215 20 0 FGADRP CC(C)[NH+]1CCC(NC(=O)C[NH2+][C@H]2CCCC[C@@H]2c2ccccc2)CC1 ZINC000411561310 499763476 /nfs/dbraw/zinc/76/34/76/499763476.db2.gz QJSGDVCYEUQHIC-RTWAWAEBSA-N 2 0 357.542 3.291 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H](CO)c1ccc(F)cc1 ZINC000414313330 499776850 /nfs/dbraw/zinc/77/68/50/499776850.db2.gz OSXOQWPOIIIYTA-AGHHOFFYSA-N 2 0 356.485 3.402 20 0 FGADRP C[C@@H]1CC[C@H]([NH2+]Cc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)C[C@H]1C ZINC000414344408 499779664 /nfs/dbraw/zinc/77/96/64/499779664.db2.gz RLRIYMYKCUNGBK-LZJOCLMNSA-N 2 0 357.542 3.298 20 0 FGADRP CSC1(C[NH2+][C@H](C)c2cccc(N3CCCC3=O)c2)CC[NH+](C)CC1 ZINC000582211086 506159133 /nfs/dbraw/zinc/15/91/33/506159133.db2.gz VUZNZHSJZXDYHV-MRXNPFEDSA-N 2 0 361.555 3.291 20 0 FGADRP CSC1(C[NH2+][C@@H](C)c2cccc(N3CCCC3=O)c2)CC[NH+](C)CC1 ZINC000582211085 506159276 /nfs/dbraw/zinc/15/92/76/506159276.db2.gz VUZNZHSJZXDYHV-INIZCTEOSA-N 2 0 361.555 3.291 20 0 FGADRP CC(C)=CCC[C@H](C)CC[NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000414480789 499797546 /nfs/dbraw/zinc/79/75/46/499797546.db2.gz JVHHBZUHXBVLTE-FQEVSTJZSA-N 2 0 351.579 3.145 20 0 FGADRP Cc1sccc1C[NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000414549424 499806727 /nfs/dbraw/zinc/80/67/27/499806727.db2.gz AIVZTDOFMNMPDV-UHFFFAOYSA-N 2 0 357.523 3.044 20 0 FGADRP CC1=C[C@H](C)C[C@H](C[NH2+]Cc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)C1 ZINC000414553136 499807684 /nfs/dbraw/zinc/80/76/84/499807684.db2.gz HXPONOWKQLMZFZ-UWJYYQICSA-N 2 0 369.553 3.466 20 0 FGADRP O=C(N[C@H]1CC[N@@H+](C2CCCC2)C1)c1cccc(C[NH+]2CCCCC2)c1 ZINC000412039166 499815827 /nfs/dbraw/zinc/81/58/27/499815827.db2.gz PSMIXSWFBIWWRI-FQEVSTJZSA-N 2 0 355.526 3.419 20 0 FGADRP [NH3+]CC(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@H]2CCCc2ccccc2)C1 ZINC000414714845 499822169 /nfs/dbraw/zinc/82/21/69/499822169.db2.gz VYWYIVUEWAKVJA-RTWAWAEBSA-N 2 0 357.542 3.061 20 0 FGADRP [NH3+]CC(=O)N1CCC[C@@H](C[NH+]2CCC(c3cccc4ccccc43)CC2)C1 ZINC000414754430 499826721 /nfs/dbraw/zinc/82/67/21/499826721.db2.gz XXMMPAPBYFBDBN-SFHVURJKSA-N 2 0 365.521 3.217 20 0 FGADRP C[C@H]1C[C@@H](C[NH+]2CCN(C(=O)c3cc4sccc4s3)CC2)CC[NH2+]1 ZINC000414760026 499827410 /nfs/dbraw/zinc/82/74/10/499827410.db2.gz XMNDYQJFESPYHX-KBPBESRZSA-N 2 0 363.552 3.109 20 0 FGADRP c1cc(COc2ccc(C[N@@H+]3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)cc2)ccn1 ZINC000414773215 499829480 /nfs/dbraw/zinc/82/94/80/499829480.db2.gz DDZLCMLOQIVSHG-NHCUHLMSSA-N 2 0 351.494 3.482 20 0 FGADRP FC(F)(F)c1ccc([C@H]2CCC[C@@H]2[NH2+]CCCN2CC[NH2+]CC2)cc1 ZINC000414784475 499830642 /nfs/dbraw/zinc/83/06/42/499830642.db2.gz SJDXWJBHLNYDHH-MSOLQXFVSA-N 2 0 355.448 3.226 20 0 FGADRP C[C@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[NH2+]C1CC[NH2+]CC1 ZINC000414786038 499830984 /nfs/dbraw/zinc/83/09/84/499830984.db2.gz WGRPGZIZPBGBEY-SNVBAGLBSA-N 2 0 363.811 3.418 20 0 FGADRP CCCOc1ccc(C[N@@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)cc1OCC ZINC000414791128 499831752 /nfs/dbraw/zinc/83/17/52/499831752.db2.gz QMACUJSKOBFNMC-GOSISDBHSA-N 2 0 362.514 3.061 20 0 FGADRP C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000414797211 499832268 /nfs/dbraw/zinc/83/22/68/499832268.db2.gz IHHULTKWXORASK-UWWQBHOKSA-N 2 0 351.922 3.184 20 0 FGADRP C[C@@H]([NH3+])c1ccc(C[NH2+]Cc2c[nH]nc2-c2ccc3c(c2)OCCO3)cc1 ZINC000414802039 499832955 /nfs/dbraw/zinc/83/29/55/499832955.db2.gz AYSRAWYJHPBARG-CQSZACIVSA-N 2 0 364.449 3.157 20 0 FGADRP C[C@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[NH2+]CC[C@H](C)[NH3+] ZINC000414817305 499833999 /nfs/dbraw/zinc/83/39/99/499833999.db2.gz ANFBWZKQLKCCAW-VHSXEESVSA-N 2 0 351.800 3.403 20 0 FGADRP Clc1ccc(OC[C@H]2CCCO2)c(C[NH2+]CC[C@@H]2CCC[NH2+]C2)c1 ZINC000414831383 499835249 /nfs/dbraw/zinc/83/52/49/499835249.db2.gz DBUSLFFVEKMYFY-MAUKXSAKSA-N 2 0 352.906 3.377 20 0 FGADRP c1c(C[NH2+]C[C@@H]2CCC[NH2+]C2)c(-c2cccnc2)nn1Cc1ccccc1 ZINC000414835334 499836005 /nfs/dbraw/zinc/83/60/05/499836005.db2.gz SZLHNNLXHJSGKV-LJQANCHMSA-N 2 0 361.493 3.083 20 0 FGADRP C[N@@H+]1CCCC12CCN(C(=O)c1cccc(C[NH+]3CCCCC3)c1)CC2 ZINC000412229354 499836379 /nfs/dbraw/zinc/83/63/79/499836379.db2.gz MMXFVVSZKFKTRJ-UHFFFAOYSA-N 2 0 355.526 3.373 20 0 FGADRP C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000414847723 499837249 /nfs/dbraw/zinc/83/72/49/499837249.db2.gz GAIPGPYSXFGCSE-HZSPNIEDSA-N 2 0 368.319 3.144 20 0 FGADRP CCOc1cc(C[NH2+][C@@H](C)[C@H]2CCC[NH2+]C2)cc(Br)c1OC ZINC000414857633 499838721 /nfs/dbraw/zinc/83/87/21/499838721.db2.gz PWEJDGDCRUILRU-JSGCOSHPSA-N 2 0 371.319 3.334 20 0 FGADRP FC(F)(F)Oc1ccc(C[NH2+]C[C@H]2CCC[NH2+]C2)cc1Br ZINC000414859882 499838888 /nfs/dbraw/zinc/83/88/88/499838888.db2.gz UVYVWDWZYPNHAC-NSHDSACASA-N 2 0 367.209 3.437 20 0 FGADRP C[C@H]1C[C@H](NCCC[NH2+]Cc2cccnc2)CC[N@@H+]1Cc1ccccc1 ZINC000414882921 499841006 /nfs/dbraw/zinc/84/10/06/499841006.db2.gz SNTZURXPEWJGKC-SIKLNZKXSA-N 2 0 352.526 3.204 20 0 FGADRP Fc1cccc(F)c1-c1n[nH]cc1C[NH2+]CCCNCc1cccnc1 ZINC000414885029 499841351 /nfs/dbraw/zinc/84/13/51/499841351.db2.gz VBNLJRYUPFIANU-UHFFFAOYSA-N 2 0 357.408 3.019 20 0 FGADRP [NH3+][C@H](CNCc1csc(-c2cccc(Br)c2)n1)C1CC1 ZINC000414884476 499841356 /nfs/dbraw/zinc/84/13/56/499841356.db2.gz FIBIKMCMCQKTNX-CQSZACIVSA-N 2 0 352.301 3.400 20 0 FGADRP C[C@@H]1CC[NH2+]C[C@H]1NCc1ccc(Br)c(Br)c1 ZINC000414931327 499845477 /nfs/dbraw/zinc/84/54/77/499845477.db2.gz PXIVNIPQNBLEBX-NOZJJQNGSA-N 2 0 362.109 3.299 20 0 FGADRP C[C@H]1C[NH2+]CC[C@H]1NCc1cnn(Cc2ccc(C(F)(F)F)cc2)c1 ZINC000414931391 499845662 /nfs/dbraw/zinc/84/56/62/499845662.db2.gz BRMZFSJCQVOAJH-SUMWQHHRSA-N 2 0 352.404 3.038 20 0 FGADRP COCC1(C[NH2+]C(Cc2ccccc2)Cc2ccccc2)CC[NH2+]CC1 ZINC000414969609 499849878 /nfs/dbraw/zinc/84/98/78/499849878.db2.gz GWDPGEGFJFSTNM-UHFFFAOYSA-N 2 0 352.522 3.446 20 0 FGADRP Cc1cc(Br)cn2c(C[NH2+]C[C@@H]3CCC[C@@H]([NH3+])C3)cnc12 ZINC000414993284 499852670 /nfs/dbraw/zinc/85/26/70/499852670.db2.gz CJXSPXWJQJBEOM-TZMCWYRMSA-N 2 0 351.292 3.012 20 0 FGADRP [NH3+][C@H]1CCC[C@H](C[NH2+]Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)C1 ZINC000415000598 499853355 /nfs/dbraw/zinc/85/33/55/499853355.db2.gz KIOUNRXHOGOVGU-GJZGRUSLSA-N 2 0 352.404 3.498 20 0 FGADRP COc1ccc(C[NH2+]C[C@H]2CCC[C@H]([NH3+])C2)cc1OCc1cccnc1 ZINC000415000048 499853470 /nfs/dbraw/zinc/85/34/70/499853470.db2.gz JVEBNOUZWKCVDB-LPHOPBHVSA-N 2 0 355.482 3.276 20 0 FGADRP CCOc1c(Br)cc(C[NH2+][C@H]2CC[C@@H](C[NH3+])C2)cc1OC ZINC000415028390 499856079 /nfs/dbraw/zinc/85/60/79/499856079.db2.gz COOUFJCIKNZIDD-YPMHNXCESA-N 2 0 357.292 3.073 20 0 FGADRP CCCOc1c(Br)cc(C[NH2+][C@@H]2CC[C@@H](C[NH3+])C2)cc1OC ZINC000415038878 499857155 /nfs/dbraw/zinc/85/71/55/499857155.db2.gz NTSFZFVVKKAGPN-TZMCWYRMSA-N 2 0 371.319 3.464 20 0 FGADRP C[C@@H](Cn1cc(Br)cn1)[NH2+][C@H](CCC[NH3+])c1ccccc1 ZINC000415058606 499859492 /nfs/dbraw/zinc/85/94/92/499859492.db2.gz UDXVECNFEVKTNN-XJKSGUPXSA-N 2 0 351.292 3.104 20 0 FGADRP C[C@@H]1C[C@H](C[NH2+]CCOc2ncc(C(F)(F)F)cc2Cl)CC[NH2+]1 ZINC000415087880 499862160 /nfs/dbraw/zinc/86/21/60/499862160.db2.gz VOFQQDRZVLXTSK-GHMZBOCLSA-N 2 0 351.800 3.110 20 0 FGADRP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](Cc2cccc(Br)c2)CC1 ZINC000415122416 499866492 /nfs/dbraw/zinc/86/64/92/499866492.db2.gz IFZJZEVKBRGIRY-SJORKVTESA-N 2 0 353.304 3.167 20 0 FGADRP [NH3+][C@H]1CCO[C@H](C2CC[NH+](Cc3ccc(OCC(F)F)cc3)CC2)C1 ZINC000415123102 499866585 /nfs/dbraw/zinc/86/65/85/499866585.db2.gz KXOACJSQZCTBSJ-WMZOPIPTSA-N 2 0 354.441 3.049 20 0 FGADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)Nc1ccccc1C[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000415123252 499866605 /nfs/dbraw/zinc/86/66/05/499866605.db2.gz PJTOUZFMWJMJQP-HOJAQTOUSA-N 2 0 372.557 3.107 20 0 FGADRP [NH3+][C@H]1CCO[C@H](C2CC[NH+](Cc3ccccc3OCC(F)(F)F)CC2)C1 ZINC000415123570 499866751 /nfs/dbraw/zinc/86/67/51/499866751.db2.gz LGBXXHJWGRFFPY-WMZOPIPTSA-N 2 0 372.431 3.346 20 0 FGADRP CCOc1c(Cl)cccc1C[NH+]1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000415129591 499867760 /nfs/dbraw/zinc/86/77/60/499867760.db2.gz VFYVQWVQDSQRMU-WMZOPIPTSA-N 2 0 352.906 3.457 20 0 FGADRP CC[NH+](CC)CCOc1ccc(NC(=O)NC[C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000415180461 499874147 /nfs/dbraw/zinc/87/41/47/499874147.db2.gz LBOBSOXVPWEUBY-IRXDYDNUSA-N 2 0 362.518 3.046 20 0 FGADRP CC[NH+](CC)Cc1cccc(NC(=O)C(=O)Nc2ccc([C@@H](C)[NH3+])cc2)c1 ZINC000415466092 499894884 /nfs/dbraw/zinc/89/48/84/499894884.db2.gz QLKXZNHZORQNSE-OAHLLOKOSA-N 2 0 368.481 3.125 20 0 FGADRP CC[NH+]1CCN(c2ccccc2NC(=O)[C@H](C)[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000413091330 499912465 /nfs/dbraw/zinc/91/24/65/499912465.db2.gz CELUHUNFGSPBAC-BZSNNMDCSA-N 2 0 358.530 3.028 20 0 FGADRP CC1(CNC(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)CC[NH2+]CC1 ZINC000570423595 506164981 /nfs/dbraw/zinc/16/49/81/506164981.db2.gz ZLQXIPQEKGPTGO-UHFFFAOYSA-N 2 0 358.530 3.226 20 0 FGADRP Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000576465870 506165305 /nfs/dbraw/zinc/16/53/05/506165305.db2.gz MSIOIJJGVHCLMK-BSIFCXSSSA-N 2 0 373.541 3.274 20 0 FGADRP C[NH2+]Cc1ccccc1NC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H]1C ZINC000415899134 499925944 /nfs/dbraw/zinc/92/59/44/499925944.db2.gz JATZQHMUTHAVDL-QFBILLFUSA-N 2 0 352.482 3.191 20 0 FGADRP C[NH2+]Cc1ccccc1NC(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000415903794 499926450 /nfs/dbraw/zinc/92/64/50/499926450.db2.gz QRERYCVKIVAPEW-IBGZPJMESA-N 2 0 352.482 3.192 20 0 FGADRP CC[NH2+]Cc1cccc(NC(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000415910071 499927431 /nfs/dbraw/zinc/92/74/31/499927431.db2.gz AVNFCQBLWZYJSI-LAUBAEHRSA-N 2 0 366.509 3.438 20 0 FGADRP C[NH2+]Cc1cccc(NC(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)c1 ZINC000415919736 499928606 /nfs/dbraw/zinc/92/86/06/499928606.db2.gz NUUZAXRBNLCFCC-UHFFFAOYSA-N 2 0 370.472 3.331 20 0 FGADRP CC[NH2+]Cc1cccc(NC(=O)NC[C@H](c2ccc(F)cc2)[NH+](C)C)c1 ZINC000415932893 499930239 /nfs/dbraw/zinc/93/02/39/499930239.db2.gz NHVDAGLXAKFUAG-LJQANCHMSA-N 2 0 358.461 3.360 20 0 FGADRP CC[NH2+]Cc1ccccc1NC(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C ZINC000415940152 499931035 /nfs/dbraw/zinc/93/10/35/499931035.db2.gz DPCMZQMZJQKYTF-IBGZPJMESA-N 2 0 358.461 3.360 20 0 FGADRP CC[NH2+]Cc1ccccc1NC(=O)NCCC[N@H+](C)Cc1ccccc1 ZINC000415944240 499931574 /nfs/dbraw/zinc/93/15/74/499931574.db2.gz OIKDPKFOHHDVAA-UHFFFAOYSA-N 2 0 354.498 3.440 20 0 FGADRP CC[NH2+]Cc1ccccc1NC(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000415945155 499931862 /nfs/dbraw/zinc/93/18/62/499931862.db2.gz QXOIAXFIROCUIA-UHFFFAOYSA-N 2 0 370.497 3.058 20 0 FGADRP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)Nc2cc(C[NH3+])cc(C(F)(F)F)c2)C1 ZINC000415949489 499932534 /nfs/dbraw/zinc/93/25/34/499932534.db2.gz BZMVJRYYFNALIX-ZDUSSCGKSA-N 2 0 372.435 3.264 20 0 FGADRP C[NH2+]Cc1ccc(NC(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2)cc1 ZINC000415972545 499935488 /nfs/dbraw/zinc/93/54/88/499935488.db2.gz MVYCMZSSGIKDPY-UHFFFAOYSA-N 2 0 358.461 3.141 20 0 FGADRP C[NH2+]Cc1ccc(NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000415977785 499936508 /nfs/dbraw/zinc/93/65/08/499936508.db2.gz YRNRNGCKNNAFER-LAUBAEHRSA-N 2 0 366.509 3.438 20 0 FGADRP Cc1ccc([C@H](CNC(=O)Nc2ccc3c(c2)C[NH2+]C3)[NH+]2CCCC2)o1 ZINC000415999143 499939301 /nfs/dbraw/zinc/93/93/01/499939301.db2.gz UNLBEQVERYNYGZ-SFHVURJKSA-N 2 0 354.454 3.150 20 0 FGADRP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)N[C@@H](CCC[NH3+])c2ccccc2)C1 ZINC000417045973 499957044 /nfs/dbraw/zinc/95/70/44/499957044.db2.gz YXUCCIRVIJKHJY-GGPKGHCWSA-N 2 0 360.546 3.134 20 0 FGADRP CC(C)c1ccc([C@@H]([NH3+])CNC(=O)NCc2cccc(C[NH+](C)C)c2)cc1 ZINC000417066820 499962168 /nfs/dbraw/zinc/96/21/68/499962168.db2.gz MBKZVVNSRAXJSF-NRFANRHFSA-N 2 0 368.525 3.371 20 0 FGADRP CC[NH+](CC)[C@H](C(=O)NC1CCC([NH3+])CC1)c1cccc(C(F)(F)F)c1 ZINC000428982053 499972878 /nfs/dbraw/zinc/97/28/78/499972878.db2.gz AFPBVDPCCBOJTB-JCYILVPMSA-N 2 0 371.447 3.474 20 0 FGADRP COc1ccc([C@@H](C[NH+](C)C)NC(=O)C[C@H](c2ccccc2)[NH+](C)C)cc1 ZINC000416241031 499991657 /nfs/dbraw/zinc/99/16/57/499991657.db2.gz KRNRBDOSWXTYCP-NHCUHLMSSA-N 2 0 369.509 3.107 20 0 FGADRP CC1CC[NH+]([C@@H](CNC(=O)NCCC[C@H]2CCC[NH2+]2)c2ccccc2)CC1 ZINC000417220961 500009097 /nfs/dbraw/zinc/00/90/97/500009097.db2.gz ZHJPTJMFERSJJE-RTWAWAEBSA-N 2 0 372.557 3.291 20 0 FGADRP C[C@H](CCC[NH3+])NC(=O)NCc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000417229979 500011716 /nfs/dbraw/zinc/01/17/16/500011716.db2.gz YMXFWBXEPMFJMS-QGZVFWFLSA-N 2 0 360.546 3.378 20 0 FGADRP C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)N[C@@H]2CCC[C@@H]2C[NH3+])c1 ZINC000429163665 500017136 /nfs/dbraw/zinc/01/71/36/500017136.db2.gz NUWZQUSLCUGGKS-NHCUHLMSSA-N 2 0 351.494 3.176 20 0 FGADRP CC[NH+]1CCC(N2CCC[N@H+](Cc3c[nH]nc3-c3cccs3)CC2)CC1 ZINC000421373013 500030991 /nfs/dbraw/zinc/03/09/91/500030991.db2.gz LWVRRLDNUNCDNB-UHFFFAOYSA-N 2 0 373.570 3.130 20 0 FGADRP Cc1ccc([C@@H](CNC(=O)N2CCC([C@@H]3[NH2+]CC3(C)C)CC2)[NH+](C)C)cc1 ZINC000417310924 500036494 /nfs/dbraw/zinc/03/64/94/500036494.db2.gz KYZQEIIPDFMWCT-UXHICEINSA-N 2 0 372.557 3.017 20 0 FGADRP CC[NH+](CC)[C@H](C(=O)N[C@@H]1CCC[C@@H]1C[NH3+])c1cccc(C(F)(F)F)c1 ZINC000429269120 500037539 /nfs/dbraw/zinc/03/75/39/500037539.db2.gz UPYUYMQRLWATNQ-OIISXLGYSA-N 2 0 371.447 3.332 20 0 FGADRP C[C@@H]1C[NH+](CCOc2ccc(CC[NH2+][C@@H]3CCC[C@H]([NH3+])C3)cc2)C[C@H]1C ZINC000570462191 506173516 /nfs/dbraw/zinc/17/35/16/506173516.db2.gz BMFWORKIZRWJKN-RMVXJAJNSA-N 3 0 359.558 3.055 20 0 FGADRP CC[C@H](C(=O)N1CC(C)(C)[C@H]1C1CC[NH+](Cc2ccccc2)CC1)[NH+](C)C ZINC000413858065 500078364 /nfs/dbraw/zinc/07/83/64/500078364.db2.gz LXWAECBHNBRJFZ-NHCUHLMSSA-N 2 0 371.569 3.476 20 0 FGADRP CC[NH+](CC)[C@@H](C(=O)NCC[C@@H]1CC[NH2+]C1)c1cccc(C(F)(F)F)c1 ZINC000429446430 500079666 /nfs/dbraw/zinc/07/96/66/500079666.db2.gz OHFREGMZTIWNMC-WMLDXEAASA-N 2 0 371.447 3.204 20 0 FGADRP Cc1cc(CNC(=O)[C@@H]2C[N@@H+](C(C)(C)C)C[C@H]2C(F)(F)F)cc(C)n1 ZINC000421575380 500085666 /nfs/dbraw/zinc/08/56/66/500085666.db2.gz JYUBGIJFDXUJBC-HUUCEWRRSA-N 2 0 357.420 3.223 20 0 FGADRP CC[NH+]1CCN(Cc2ccc(C[NH2+][C@@H](C)CC3(OC)CCC3)cc2)CC1 ZINC000429522936 500092621 /nfs/dbraw/zinc/09/26/21/500092621.db2.gz QQGTYAODMXISFH-IBGZPJMESA-N 2 0 359.558 3.261 20 0 FGADRP C[N@@H+](Cc1ccccc1)CC1CC[NH+]([C@@H]2CCN(C(C)(C)C)C2=O)CC1 ZINC000425400050 500094871 /nfs/dbraw/zinc/09/48/71/500094871.db2.gz XHJTXRJPSNOKFB-HXUWFJFHSA-N 2 0 357.542 3.230 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N[C@@H](C)CCC[NH3+])c1ccccc1Cl ZINC000416827359 500131401 /nfs/dbraw/zinc/13/14/01/500131401.db2.gz CNYHSFXXTPJZRH-WMLDXEAASA-N 2 0 354.926 3.150 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)N1CCC([C@H]2CCC[NH2+]2)CC1)c1ccccc1 ZINC000416842044 500135560 /nfs/dbraw/zinc/13/55/60/500135560.db2.gz MOGJXAOBYJZFHI-RTWAWAEBSA-N 2 0 372.557 3.243 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N[C@@H]1CC[NH2+][C@@H](C)C1)c1ccccc1Cl ZINC000416842879 500135838 /nfs/dbraw/zinc/13/58/38/500135838.db2.gz NUMODRQELUFHPE-HDMKZQKVSA-N 2 0 366.937 3.163 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)N1CCC([C@H]2CC[NH2+]C2)CC1)c1ccccc1 ZINC000416849254 500137932 /nfs/dbraw/zinc/13/79/32/500137932.db2.gz XRABOTVTYAYCIL-SFTDATJTSA-N 2 0 372.557 3.101 20 0 FGADRP CC1CC[NH+](CCCNC(=O)N[C@H](C[NH3+])c2ccc3ccccc3c2)CC1 ZINC000416873291 500144374 /nfs/dbraw/zinc/14/43/74/500144374.db2.gz NBRHPNOYUKWATB-OAQYLSRUSA-N 2 0 368.525 3.261 20 0 FGADRP CC[NH+](CC)Cc1ccccc1CNC(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000416893979 500149459 /nfs/dbraw/zinc/14/94/59/500149459.db2.gz QDQSLLMQHNDXSI-HXUWFJFHSA-N 2 0 372.557 3.060 20 0 FGADRP CCC(CC)(CNC(=O)NCC1=CC[NH2+]CC1)[NH2+][C@H](C)c1ccccc1 ZINC000417694966 500150503 /nfs/dbraw/zinc/15/05/03/500150503.db2.gz ATFUCQFJEKDDLO-QGZVFWFLSA-N 2 0 358.530 3.115 20 0 FGADRP O=C(NCCCCC[NH+]1CCCCC1)N1CCCC[C@@H]1[C@H]1CCC[NH2+]C1 ZINC000417698635 500151555 /nfs/dbraw/zinc/15/15/55/500151555.db2.gz DVIDBUQDUJWNAX-VQTJNVASSA-N 2 0 364.578 3.206 20 0 FGADRP CCC(CC)(CNC(=O)NCC[C@H]1CC[NH2+]C1)[NH2+][C@@H](C)c1ccccc1 ZINC000417702739 500152323 /nfs/dbraw/zinc/15/23/23/500152323.db2.gz KXNSDZGPPXEVFC-ZWKOTPCHSA-N 2 0 360.546 3.195 20 0 FGADRP C[C@H]([NH2+]C1(CNC(=O)NC[C@]2(C)CCC[NH2+]C2)CCCC1)c1ccccc1 ZINC000417710025 500153958 /nfs/dbraw/zinc/15/39/58/500153958.db2.gz UBYMDYYONOIYNC-GHTZIAJQSA-N 2 0 372.557 3.339 20 0 FGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@@H](c2ccc(OC)cc2F)C2CC2)CC1 ZINC000421824628 500160260 /nfs/dbraw/zinc/16/02/60/500160260.db2.gz JOYMULRYNQAXQV-HRAATJIYSA-N 2 0 363.521 3.149 20 0 FGADRP COc1ccc([C@H]([NH2+]CC2CC[NH+](CCN(C)C)CC2)C2CC2)c(F)c1 ZINC000421825641 500160277 /nfs/dbraw/zinc/16/02/77/500160277.db2.gz OOVWXUQBBKOAMI-OAQYLSRUSA-N 2 0 363.521 3.149 20 0 FGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H](c2ccc(OC)cc2F)C(C)C)CC1 ZINC000421827581 500160865 /nfs/dbraw/zinc/16/08/65/500160865.db2.gz YIRBZIONMPRTFO-DYESRHJHSA-N 2 0 365.537 3.395 20 0 FGADRP CCCN1C[C@@H](C[NH2+]C2CCC([N@H+](C)Cc3ccccc3)CC2)CC1=O ZINC000421872468 500167582 /nfs/dbraw/zinc/16/75/82/500167582.db2.gz GUEHWVYSQZAGCJ-QNGMFEMESA-N 2 0 357.542 3.278 20 0 FGADRP C[C@H]1[C@@H]([NH3+])CCN1C(=O)NCc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000416963980 500167587 /nfs/dbraw/zinc/16/75/87/500167587.db2.gz RURIQCCUYPBWMY-KKSFZXQISA-N 2 0 366.509 3.046 20 0 FGADRP C[C@@H](CCC[NH3+])NC(=O)NCc1ccccc1C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000416979991 500174086 /nfs/dbraw/zinc/17/40/86/500174086.db2.gz ASROWCJEQBTTFY-KURKYZTESA-N 2 0 360.546 3.091 20 0 FGADRP C[NH2+][C@@H]1CCCN(C(=O)NCc2ccc(C[N@H+]3C[C@H](C)C[C@H](C)C3)cc2)C1 ZINC000416983946 500175115 /nfs/dbraw/zinc/17/51/15/500175115.db2.gz GJTZTCVTGLQGLL-LVCYWYKZSA-N 2 0 372.557 3.058 20 0 FGADRP CC(C)CC[NH+]1CCC(CNC(=O)NCc2ccc([C@H](C)[NH3+])cc2)CC1 ZINC000417832595 500180749 /nfs/dbraw/zinc/18/07/49/500180749.db2.gz DCMNPBCKBOYKRA-KRWDZBQOSA-N 2 0 360.546 3.264 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N1CCC(CC[NH2+]C)CC1)c1ccsc1 ZINC000417004760 500182246 /nfs/dbraw/zinc/18/22/46/500182246.db2.gz HXXKUNNREPAGQF-GOSISDBHSA-N 2 0 366.575 3.162 20 0 FGADRP CC(C)C[C@H](CNC(=O)N[C@@H]1CC[NH2+]C[C@@H]1C)[NH2+][C@H](C)c1ccccc1 ZINC000417863840 500187196 /nfs/dbraw/zinc/18/71/96/500187196.db2.gz AFNOJXHCUIBPAV-ONCXSQPRSA-N 2 0 360.546 3.049 20 0 FGADRP CC(C)C[C@H](CNC(=O)N1CC[C@H]([C@H](C)[NH3+])C1)[NH2+][C@H](C)c1ccccc1 ZINC000417869683 500188318 /nfs/dbraw/zinc/18/83/18/500188318.db2.gz HNZAPEDSDJNBJU-KVPLUYHFSA-N 2 0 360.546 3.131 20 0 FGADRP C[NH+](C)C1CCC(NC(=O)[C@@H]2CCC[N@H+](Cc3cccc(F)c3)C2)CC1 ZINC000422004623 500195671 /nfs/dbraw/zinc/19/56/71/500195671.db2.gz GZYVRDHUXBBXID-QHGAOEGBSA-N 2 0 361.505 3.027 20 0 FGADRP CC[NH+]1CCC(N2CCCN(C(=O)c3ccc(C(C)(C)C)cn3)CC2)CC1 ZINC000422013252 500197743 /nfs/dbraw/zinc/19/77/43/500197743.db2.gz FDKXKUHQPGBCEK-UHFFFAOYSA-N 2 0 372.557 3.011 20 0 FGADRP CC1CC[NH+](CCc2cccc(NC(=O)N[C@H]3CC[NH2+]C3(C)C)c2)CC1 ZINC000570498769 506182143 /nfs/dbraw/zinc/18/21/43/506182143.db2.gz ATKHYWVEJDKWLV-IBGZPJMESA-N 2 0 358.530 3.223 20 0 FGADRP C[C@@H](CCNC(=O)N[C@@H](C[NH3+])c1ccc2ccccc2c1)[NH+]1CCCCC1 ZINC000417997873 500211826 /nfs/dbraw/zinc/21/18/26/500211826.db2.gz GMWMLGFKXSBNMT-UWJYYQICSA-N 2 0 368.525 3.403 20 0 FGADRP COCC1(C[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CCOCC1 ZINC000425950064 500215784 /nfs/dbraw/zinc/21/57/84/500215784.db2.gz IRIVXZBTDZGXCO-BHIFYINESA-N 2 0 372.553 3.320 20 0 FGADRP CC1(C)C[C@H]([NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)CO1 ZINC000418071386 500225338 /nfs/dbraw/zinc/22/53/38/500225338.db2.gz WGGBRVSTPMUMQP-UXHICEINSA-N 2 0 358.526 3.072 20 0 FGADRP Clc1ccc(OC[C@@H]2CCCO2)c(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC000579473134 506183551 /nfs/dbraw/zinc/18/35/51/506183551.db2.gz HXGQSMOLTRKODF-FCEWJHQRSA-N 2 0 364.917 3.329 20 0 FGADRP CCC[N@H+](C)[C@H](CNC(=O)N1CCC[C@H]1C[NH2+]C)c1ccc(Cl)cc1 ZINC000418163603 500240266 /nfs/dbraw/zinc/24/02/66/500240266.db2.gz DRMJMVYGZVQVAT-ZWKOTPCHSA-N 2 0 366.937 3.116 20 0 FGADRP C[C@@H]1CCN(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)[C@@H](C[NH3+])C1 ZINC000418164487 500240293 /nfs/dbraw/zinc/24/02/93/500240293.db2.gz WYVVDSXGJOPBNS-MISYRCLQSA-N 2 0 372.557 3.056 20 0 FGADRP CCCN(C(=O)NCC[NH+]1CCC2(CCCCC2)CC1)C1CC[NH2+]CC1 ZINC000418168112 500240802 /nfs/dbraw/zinc/24/08/02/500240802.db2.gz KSLDDGPHENEAGH-UHFFFAOYSA-N 2 0 364.578 3.206 20 0 FGADRP CCC[N@H+](C)[C@@H](CNC(=O)NCC[C@H]1CC[NH2+]C1)c1ccc(Cl)cc1 ZINC000418175461 500243038 /nfs/dbraw/zinc/24/30/38/500243038.db2.gz FWXHRCWCAMTOOZ-QAPCUYQASA-N 2 0 366.937 3.022 20 0 FGADRP C[C@@H](NC(=O)NCc1ccc([C@H](C)[NH3+])cc1)[C@@H](c1ccccc1)[NH+](C)C ZINC000418188933 500245927 /nfs/dbraw/zinc/24/59/27/500245927.db2.gz UYIAZZAJSVDYKA-YRNRMSPPSA-N 2 0 354.498 3.197 20 0 FGADRP CCC[N@H+](C)[C@H](CNC(=O)N1CC[C@@H]([NH3+])[C@H](C)C1)c1ccc(Cl)cc1 ZINC000418192426 500246930 /nfs/dbraw/zinc/24/69/30/500246930.db2.gz YRBXTEAUXYKWML-ZTFGCOKTSA-N 2 0 366.937 3.102 20 0 FGADRP C[C@@H](C(=O)Nc1ccc(C(F)(F)F)cc1)N1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000582314781 506184702 /nfs/dbraw/zinc/18/47/02/506184702.db2.gz NVKKUEJZDDFIOJ-KBXCAEBGSA-N 2 0 369.431 3.450 20 0 FGADRP CCCN(C(=O)NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1)[C@@H]1CC[NH2+]C1 ZINC000418227716 500252836 /nfs/dbraw/zinc/25/28/36/500252836.db2.gz AMPSGUQIPPEUNE-NHCUHLMSSA-N 2 0 372.557 3.072 20 0 FGADRP CCC([NH3+])(CC)CNC(=O)NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000418228821 500253059 /nfs/dbraw/zinc/25/30/59/500253059.db2.gz BWOXYWRFBJECPK-LJQANCHMSA-N 2 0 360.546 3.105 20 0 FGADRP CCC([NH3+])(CC)CNC(=O)NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000418228819 500253161 /nfs/dbraw/zinc/25/31/61/500253161.db2.gz BWOXYWRFBJECPK-IBGZPJMESA-N 2 0 360.546 3.105 20 0 FGADRP CSc1ccc([C@H](CNC(=O)N(C)CC[C@H]([NH3+])C(C)C)[NH+](C)C)cc1 ZINC000418229262 500253329 /nfs/dbraw/zinc/25/33/29/500253329.db2.gz GONHFGFABQHDKQ-ROUUACIJSA-N 2 0 366.575 3.026 20 0 FGADRP CC[NH2+]CC1CC[NH+]([C@H](C)C(=O)Nc2ccc(OC(F)(F)F)cc2)CC1 ZINC000430583068 500258597 /nfs/dbraw/zinc/25/85/97/500258597.db2.gz LSFVTPYOOIOSLT-CYBMUJFWSA-N 2 0 373.419 3.234 20 0 FGADRP [NH3+]C[C@@H](NC(=O)NCC1([NH3+])CCCCCC1)c1ccc2ccccc2c1 ZINC000418290099 500259498 /nfs/dbraw/zinc/25/94/98/500259498.db2.gz ZMEQRJUYPSRSET-LJQANCHMSA-N 2 0 354.498 3.191 20 0 FGADRP C[C@@H]1C[C@@H](N(C)C(=O)NCC2([NH3+])CCCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000418298929 500260191 /nfs/dbraw/zinc/26/01/91/500260191.db2.gz RBAFAVMKPVIZPG-QUCCMNQESA-N 2 0 372.557 3.343 20 0 FGADRP CC[NH2+]CC1CC[NH+]([C@H]2CCN(c3ccc(C(F)(F)F)cc3)C2=O)CC1 ZINC000430594837 500260383 /nfs/dbraw/zinc/26/03/83/500260383.db2.gz WHZXNTNLCAXHAR-KRWDZBQOSA-N 2 0 369.431 3.132 20 0 FGADRP C[C@H](NC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)[C@H]1CCC[NH2+]C1 ZINC000418311197 500260433 /nfs/dbraw/zinc/26/04/33/500260433.db2.gz LMRCANDHKNZKRF-YXYSEUPNSA-N 2 0 372.557 3.069 20 0 FGADRP [NH3+]CC1CC[NH+](CCC(=O)N[C@@H](c2cccs2)c2ccccc2)CC1 ZINC000430622041 500262862 /nfs/dbraw/zinc/26/28/62/500262862.db2.gz FCZLKEJJOSOQNZ-HXUWFJFHSA-N 2 0 357.523 3.015 20 0 FGADRP [NH3+]CC1CC[NH+](CC(=O)N(Cc2ccc(F)cc2)C2CCCCC2)CC1 ZINC000430640473 500264604 /nfs/dbraw/zinc/26/46/04/500264604.db2.gz KKWXDVFZVRKHIV-UHFFFAOYSA-N 2 0 361.505 3.158 20 0 FGADRP C[C@@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)[NH+]1CCC(C[NH3+])CC1 ZINC000430663515 500267319 /nfs/dbraw/zinc/26/73/19/500267319.db2.gz KBCMXSOGVWNVKB-JTQLQIEISA-N 2 0 363.811 3.357 20 0 FGADRP C[C@H]([NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+]2C2CC2)CCCC1)c1ccccc1 ZINC000426413485 500270831 /nfs/dbraw/zinc/27/08/31/500270831.db2.gz WWDUZCUOTOCZRG-FXAWDEMLSA-N 2 0 355.526 3.393 20 0 FGADRP CC[N@H+](CCC1CCN(C(=O)NC[C@H]([NH3+])c2ccccc2)CC1)CC(C)C ZINC000418426053 500274597 /nfs/dbraw/zinc/27/45/97/500274597.db2.gz JEBNXMZHGKQUTN-NRFANRHFSA-N 2 0 374.573 3.476 20 0 FGADRP CCC([NH3+])(CC)CNC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000418426732 500275269 /nfs/dbraw/zinc/27/52/69/500275269.db2.gz MNEMAXVEDPAFKJ-UXHICEINSA-N 2 0 372.557 3.200 20 0 FGADRP CC(C)C[C@@H](C[NH3+])NC(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000418429867 500275454 /nfs/dbraw/zinc/27/54/54/500275454.db2.gz SUHUNQSBIUUVIT-FQEVSTJZSA-N 2 0 372.557 3.058 20 0 FGADRP C[C@H]([NH3+])c1ccc(CNC(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2)cc1 ZINC000418461002 500279688 /nfs/dbraw/zinc/27/96/88/500279688.db2.gz LGDIIJMCYZHYAW-INIZCTEOSA-N 2 0 372.488 3.119 20 0 FGADRP C[NH+](C)C1CCC(NC(=O)N[C@@H](C[NH3+])c2ccc3ccccc3c2)CC1 ZINC000422608951 500281355 /nfs/dbraw/zinc/28/13/55/500281355.db2.gz NLNVIGFKVQJWSQ-MHJFOBGBSA-N 2 0 354.498 3.012 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H](C[NH3+])c2ccc3ccccc3c2)C[C@@H]1C ZINC000418482516 500282121 /nfs/dbraw/zinc/28/21/21/500282121.db2.gz FBTWXGLEMKFHDN-NDXORKPFSA-N 2 0 368.525 3.354 20 0 FGADRP CC(C)[NH2+]C1CCN(C(=O)N[C@H](C[NH3+])c2ccc3ccccc3c2)CC1 ZINC000418501815 500284882 /nfs/dbraw/zinc/28/48/82/500284882.db2.gz SRTGBGXYAJSZNY-HXUWFJFHSA-N 2 0 354.498 3.012 20 0 FGADRP C[C@H](CC[NH3+])NC(=O)N1CC(C)(C)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000418519286 500287286 /nfs/dbraw/zinc/28/72/86/500287286.db2.gz GGTDJANHPVXFKH-YLJYHZDGSA-N 2 0 372.557 3.056 20 0 FGADRP [NH3+]CC1CCC([NH2+][C@H]2CCN(c3ccccc3Br)C2)CC1 ZINC000422712730 500288726 /nfs/dbraw/zinc/28/87/26/500288726.db2.gz OOZHKEFWUAXWBF-NRXISQOPSA-N 2 0 352.320 3.135 20 0 FGADRP C[C@H](C[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)N1CCc2ccccc21 ZINC000422714543 500288768 /nfs/dbraw/zinc/28/87/68/500288768.db2.gz LAFLKYSAWTVPAZ-LLBVYWAGSA-N 2 0 363.505 3.283 20 0 FGADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000422722291 500290223 /nfs/dbraw/zinc/29/02/23/500290223.db2.gz PBYKBBVLFSBXBP-XJKSGUPXSA-N 2 0 352.404 3.369 20 0 FGADRP CSc1nnc(CCC[NH2+][C@@H](C)C[C@@H]2CCCCC[NH2+]2)n1CC(C)C ZINC000422727318 500290805 /nfs/dbraw/zinc/29/08/05/500290805.db2.gz HCTPAYBFMLRYDF-IRXDYDNUSA-N 2 0 367.607 3.489 20 0 FGADRP C[C@@H](CC[NH3+])NC(=O)N(CC[N@H+](C)Cc1ccccc1)Cc1ccccc1 ZINC000418554938 500290795 /nfs/dbraw/zinc/29/07/95/500290795.db2.gz NHPZVGDYWULHDG-IBGZPJMESA-N 2 0 368.525 3.068 20 0 FGADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]CC1(c2ccc(Br)cc2)CCC1 ZINC000422731254 500291866 /nfs/dbraw/zinc/29/18/66/500291866.db2.gz GPUFHYGOINUUSX-RRQGHBQHSA-N 2 0 367.331 3.213 20 0 FGADRP CC(C)(C)CC(C)(C)[NH+]1CCN(C(=O)NCc2ccc3c(c2)C[NH2+]C3)CC1 ZINC000418572566 500292775 /nfs/dbraw/zinc/29/27/75/500292775.db2.gz FEGSKFVZWHYETN-UHFFFAOYSA-N 2 0 372.557 3.332 20 0 FGADRP CC1(C(=O)NCC2([NH3+])CCCCCC2)CC[NH+](Cc2ccccc2)CC1 ZINC000422742324 500293388 /nfs/dbraw/zinc/29/33/88/500293388.db2.gz RKOCZLINCUVSNB-UHFFFAOYSA-N 2 0 357.542 3.457 20 0 FGADRP CN(C)[C@H](C[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ccccc1 ZINC000422753265 500294681 /nfs/dbraw/zinc/29/46/81/500294681.db2.gz IGJJOOCVXCCQFR-TUNNFDKTSA-N 2 0 351.494 3.135 20 0 FGADRP CCOC(=O)C1([C@@H](C)[NH2+]CCCSc2ccccc2)CC[NH2+]CC1 ZINC000422765446 500295209 /nfs/dbraw/zinc/29/52/09/500295209.db2.gz VYEDZTDGSWOHBK-MRXNPFEDSA-N 2 0 350.528 3.080 20 0 FGADRP O=C(c1ccccc1)N1CCC(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)CC1 ZINC000422768466 500295801 /nfs/dbraw/zinc/29/58/01/500295801.db2.gz SFNWYLOAEFNYMY-BHDDXSALSA-N 2 0 369.553 3.439 20 0 FGADRP COc1ccc(C)cc1CC[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422794305 500298149 /nfs/dbraw/zinc/29/81/49/500298149.db2.gz YOWNOWAWXIUJRI-KNQAVFIVSA-N 2 0 352.478 3.392 20 0 FGADRP c1nc2ccccc2n1CCC[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422794688 500298238 /nfs/dbraw/zinc/29/82/38/500298238.db2.gz ZDWWIVBMDYKWFK-DENIHFKCSA-N 2 0 362.477 3.272 20 0 FGADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@H]1CCCN(c2ccccc2Cl)C1=O ZINC000422789478 500298345 /nfs/dbraw/zinc/29/83/45/500298345.db2.gz WWQKKFPBKOXGTD-KDOFPFPSSA-N 2 0 372.900 3.348 20 0 FGADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CCc1ccn(-c2ccc(F)cc2)n1 ZINC000422796352 500299180 /nfs/dbraw/zinc/29/91/80/500299180.db2.gz YIUJUHMQGRQSEB-AWEZNQCLSA-N 2 0 353.445 3.067 20 0 FGADRP CC1CC[NH+](Cc2ccc(C[NH2+][C@@H]3CCOC[C@@H]3[C@H]3CCC[NH2+]3)cc2)CC1 ZINC000422802659 500299451 /nfs/dbraw/zinc/29/94/51/500299451.db2.gz HTNKYUIAFHQWSD-DNVJHFABSA-N 3 0 371.569 3.165 20 0 FGADRP CC[C@@H](C[NH2+][C@H](C)c1ccc(C[NH3+])nc1C)N1CCc2ccccc2C1 ZINC000422807531 500300712 /nfs/dbraw/zinc/30/07/12/500300712.db2.gz MNOXLYJDFRDMIX-IERDGZPVSA-N 2 0 352.526 3.336 20 0 FGADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000422819395 500301989 /nfs/dbraw/zinc/30/19/89/500301989.db2.gz NAYKJAFVIKGPED-KNQAVFIVSA-N 3 0 359.558 3.035 20 0 FGADRP C[NH+](C)C[C@H](NC(=O)NC[C@H]1CC[C@H](C[NH3+])CC1)c1ccc(Cl)cc1 ZINC000418664276 500303972 /nfs/dbraw/zinc/30/39/72/500303972.db2.gz ISJQKMFMGVFQMH-MPGHIAIKSA-N 2 0 366.937 3.007 20 0 FGADRP COc1ccccc1N1CCC([NH2+][C@H](Cc2ccccc2)[C@H](C)[NH3+])CC1 ZINC000422838974 500304480 /nfs/dbraw/zinc/30/44/80/500304480.db2.gz PILAVEVWTHJRTG-FXAWDEMLSA-N 2 0 353.510 3.212 20 0 FGADRP C[C@H]1CCN(C(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)CC[N@@H+]1Cc1ccccc1 ZINC000418667194 500304520 /nfs/dbraw/zinc/30/45/20/500304520.db2.gz MGPBXGAEABMPJW-UFYCRDLUSA-N 2 0 372.557 3.058 20 0 FGADRP [NH3+]CCC[C@H](NC(=O)N1CCCC[C@@H]1[C@H]1CCC[NH2+]C1)c1ccccc1 ZINC000418671016 500305042 /nfs/dbraw/zinc/30/50/42/500305042.db2.gz LAOLRHAORYMFBV-SLFFLAALSA-N 2 0 358.530 3.030 20 0 FGADRP COc1ccc(C(C)(C)C[NH2+][C@@H](C)c2ccc(C[NH3+])nc2C)cc1OC ZINC000422865329 500307075 /nfs/dbraw/zinc/30/70/75/500307075.db2.gz XSMYFFVCUQRONZ-AWEZNQCLSA-N 2 0 357.498 3.494 20 0 FGADRP CCOC(=O)C1([C@H](C)[NH2+][C@H](C)c2nc(C(C)(C)C)cs2)CC[NH2+]CC1 ZINC000422864211 500307586 /nfs/dbraw/zinc/30/75/86/500307586.db2.gz UPTQLAHPDUQWEF-KGLIPLIRSA-N 2 0 367.559 3.413 20 0 FGADRP C[C@@H]([NH3+])[C@H]1CCC[N@H+](CCC(=O)NC(c2ccccc2)c2ccccc2)C1 ZINC000430924799 500307810 /nfs/dbraw/zinc/30/78/10/500307810.db2.gz JOBYCVKQWRLZGF-NQIIRXRSSA-N 2 0 365.521 3.342 20 0 FGADRP COc1ccc([C@@H]2CCCCCN2C(=O)C[NH+]2CCC([C@@H](C)[NH3+])CC2)cc1 ZINC000430925807 500307953 /nfs/dbraw/zinc/30/79/53/500307953.db2.gz DWWYIRMUNVTFSH-UTKZUKDTSA-N 2 0 373.541 3.198 20 0 FGADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1ccc(N2C[C@H](C)O[C@@H](C)C2)nc1 ZINC000422876327 500308744 /nfs/dbraw/zinc/30/87/44/500308744.db2.gz GERGKGJOTPJTIJ-LXZJYRNTSA-N 2 0 360.546 3.096 20 0 FGADRP COc1cc(OC)cc(N2CC[C@H](C[NH2+][C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)C2)c1 ZINC000422874915 500308887 /nfs/dbraw/zinc/30/88/87/500308887.db2.gz OFXICWGUSVVHDY-IDZYALCFSA-N 2 0 373.541 3.040 20 0 FGADRP C[NH+](C)[C@H](CN[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)C1CCCCC1 ZINC000422892873 500311567 /nfs/dbraw/zinc/31/15/67/500311567.db2.gz NZWFDQWLUXIRRP-SJBKTWHCSA-N 2 0 357.542 3.342 20 0 FGADRP C[C@H](C[C@H](C)[NH3+])[NH2+]C1CCN(Cc2ccc(Br)cc2)CC1 ZINC000422896989 500312772 /nfs/dbraw/zinc/31/27/72/500312772.db2.gz ZAYUPSOVLOQBNV-UONOGXRCSA-N 2 0 354.336 3.129 20 0 FGADRP COc1ccc(C2(C[NH2+][C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)CCOCC2)cc1 ZINC000422897132 500313225 /nfs/dbraw/zinc/31/32/25/500313225.db2.gz JCQLLYGVOQQLRM-NJDAHSKKSA-N 2 0 358.526 3.254 20 0 FGADRP C[C@H]([NH3+])C[C@H](C)[NH2+]C1CCN(Cc2ccc(Br)cc2)CC1 ZINC000422896985 500313268 /nfs/dbraw/zinc/31/32/68/500313268.db2.gz ZAYUPSOVLOQBNV-KBPBESRZSA-N 2 0 354.336 3.129 20 0 FGADRP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCc1nc(-c2ccncc2)cs1 ZINC000422907978 500314788 /nfs/dbraw/zinc/31/47/88/500314788.db2.gz CNRDFWUFDBSMAM-CRAIPNDOSA-N 2 0 352.507 3.296 20 0 FGADRP CC(C)c1ccc(CN2CCN(C(=O)NCCC[C@@H]3CCC[NH2+]3)CC2)cc1 ZINC000418744916 500316661 /nfs/dbraw/zinc/31/66/61/500316661.db2.gz FTZNDZOXMKZBKR-NRFANRHFSA-N 2 0 372.557 3.169 20 0 FGADRP CCOC(=O)C1([C@H](C)[NH2+]C[C@H](CC)Oc2cccc(C)c2)CC[NH2+]CC1 ZINC000422922053 500317238 /nfs/dbraw/zinc/31/72/38/500317238.db2.gz RQGXSCOPLSFKNG-ROUUACIJSA-N 2 0 362.514 3.063 20 0 FGADRP CC(C)(C)CC(C)(C)[NH+]1CCN(C(=O)NCCC[C@@H]2CCC[NH2+]2)CC1 ZINC000418755822 500318887 /nfs/dbraw/zinc/31/88/87/500318887.db2.gz XRKCIDXUFRELOX-KRWDZBQOSA-N 2 0 352.567 3.061 20 0 FGADRP C[C@@H]([NH2+][C@@H](C)CCCC[NH3+])c1cc2c(cc1Br)OCCO2 ZINC000422935757 500319669 /nfs/dbraw/zinc/31/96/69/500319669.db2.gz DNTAHOLZEPLUKC-NWDGAFQWSA-N 2 0 357.292 3.388 20 0 FGADRP CC(C)n1cc2c(n1)C[C@H]([NH2+][C@H]1C[C@@]3(CC[NH2+]C3)Oc3ccccc31)CC2 ZINC000422948109 500321745 /nfs/dbraw/zinc/32/17/45/500321745.db2.gz ZSBAOIZRACZICI-PIPMEXSNSA-N 2 0 366.509 3.167 20 0 FGADRP C[C@H]([NH2+]C[C@H]1CCN(c2ccc(Br)cc2)C1)[C@@H]1CCCC[NH2+]1 ZINC000422949884 500322270 /nfs/dbraw/zinc/32/22/70/500322270.db2.gz UWGCSIAVELIDRO-DAYGRLMNSA-N 2 0 366.347 3.396 20 0 FGADRP C[C@@H]([NH2+]C[C@@H]1CCN(c2ccc(Br)cc2)C1)[C@H]1CCCC[NH2+]1 ZINC000422949890 500322696 /nfs/dbraw/zinc/32/26/96/500322696.db2.gz UWGCSIAVELIDRO-RVKKMQEKSA-N 2 0 366.347 3.396 20 0 FGADRP C[C@H](C[C@@H]1COCCN1)[NH2+]Cc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000422964283 500324418 /nfs/dbraw/zinc/32/44/18/500324418.db2.gz IDQKPOKTBGKRGZ-XMSQKQJNSA-N 2 0 367.537 3.272 20 0 FGADRP CC[NH+]1CCN(c2ccc(NC(=O)[C@H]3CCCCCC[C@@H]3[NH3+])c(C)c2)CC1 ZINC000431017507 500324441 /nfs/dbraw/zinc/32/44/41/500324441.db2.gz QNSXLQCUOSDXHN-PMACEKPBSA-N 2 0 372.557 3.373 20 0 FGADRP CC(C)Cc1ccc([C@H](C)NC(=O)C[NH+]2CCC3(CC[NH2+]C3)CC2)cc1 ZINC000431022933 500324773 /nfs/dbraw/zinc/32/47/73/500324773.db2.gz PLIKGLHQUUAASJ-SFHVURJKSA-N 2 0 357.542 3.138 20 0 FGADRP C[C@H](NC(=O)C[NH+]1CCC2(CC[NH2+]C2)CC1)c1cccc2ccccc21 ZINC000431024691 500325263 /nfs/dbraw/zinc/32/52/63/500325263.db2.gz MEUQUDHYEHRANV-KRWDZBQOSA-N 2 0 351.494 3.093 20 0 FGADRP COc1cc([C@H](C)[NH2+][C@H](C)C[C@@H]2CCCCC[NH2+]2)ccc1OCCO ZINC000422974238 500325932 /nfs/dbraw/zinc/32/59/32/500325932.db2.gz QPAYFABOTRGMMI-RYRKJORJSA-N 2 0 350.503 3.028 20 0 FGADRP Cc1nc(C[NH3+])ccc1[C@@H](C)Nc1cccc(C[NH+]2CCC(CO)CC2)c1 ZINC000422984490 500327014 /nfs/dbraw/zinc/32/70/14/500327014.db2.gz XZYXQCVIHFPFOV-MRXNPFEDSA-N 2 0 368.525 3.226 20 0 FGADRP CCOC(=O)C1([C@H](C)[NH2+][C@H](C[C@H]2CCOC2)c2ccccc2)CC[NH2+]CC1 ZINC000423002395 500329579 /nfs/dbraw/zinc/32/95/79/500329579.db2.gz JGNSRMXHBMRMDC-NLWGTHIKSA-N 2 0 374.525 3.065 20 0 FGADRP CCCCn1cc(C[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c(C)n1 ZINC000423018038 500332087 /nfs/dbraw/zinc/33/20/87/500332087.db2.gz PYIJPDIMTPXKTH-CTNGQTDRSA-N 2 0 354.498 3.337 20 0 FGADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1 ZINC000423024546 500332736 /nfs/dbraw/zinc/33/27/36/500332736.db2.gz LYJBRPMLYYEUPB-QTJFZDIUSA-N 2 0 360.452 3.223 20 0 FGADRP Fc1ccc(-c2noc(CCC[NH2+][C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)n2)cc1 ZINC000423031202 500333225 /nfs/dbraw/zinc/33/32/25/500333225.db2.gz KSQMDFRGWYCCBK-KZNAEPCWSA-N 2 0 358.461 3.319 20 0 FGADRP COC[C@@H](CCC[NH3+])[NH2+]Cc1cc(-c2c(OC)ccc3ccccc32)no1 ZINC000423036169 500333842 /nfs/dbraw/zinc/33/38/42/500333842.db2.gz ABVUNWKLAKILAH-MRXNPFEDSA-N 2 0 369.465 3.347 20 0 FGADRP CCC(CC)(C[NH2+][C@@H]1CCOC[C@H]1[C@@H](C)[NH3+])c1ccc(OC)c(OC)c1 ZINC000423044360 500334571 /nfs/dbraw/zinc/33/45/71/500334571.db2.gz BDKQDMKAYBYVBZ-BPQIPLTHSA-N 2 0 364.530 3.104 20 0 FGADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]CC(Cc1ccccc1)Cc1ccccc1 ZINC000423046196 500334901 /nfs/dbraw/zinc/33/49/01/500334901.db2.gz FCKGVMQFDRYVNZ-CDNPAEQRSA-N 2 0 352.522 3.430 20 0 FGADRP C[C@H](N[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000423051038 500335747 /nfs/dbraw/zinc/33/57/47/500335747.db2.gz ZOMYQKVSCIBFDZ-KQKOIIKASA-N 2 0 369.553 3.485 20 0 FGADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@H](C1CC1)N(C)Cc1ccccc1 ZINC000423060406 500336846 /nfs/dbraw/zinc/33/68/46/500336846.db2.gz IBHHNNMQIJHAAE-KSFYIVLOSA-N 2 0 352.526 3.410 20 0 FGADRP FC(F)(F)C1CCN(C2CC([NH2+][C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)C2)CC1 ZINC000423087750 500340407 /nfs/dbraw/zinc/34/04/07/500340407.db2.gz QGJBDAWMBAODSX-NUUXYWTLSA-N 2 0 359.480 3.302 20 0 FGADRP CCOC(=O)C1([C@H](C)[NH2+][C@H]2CC[C@H](c3ccccc3F)C2)CC[NH2+]CC1 ZINC000423092218 500341360 /nfs/dbraw/zinc/34/13/60/500341360.db2.gz AYUGNSMKIRQBNZ-ULQDDVLXSA-N 2 0 362.489 3.373 20 0 FGADRP CCN1CCO[C@@H](C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)[C@@H]1c1ccccc1 ZINC000423102808 500342291 /nfs/dbraw/zinc/34/22/91/500342291.db2.gz KOIODMPGOWIUJV-NQQQLTFYSA-N 2 0 371.569 3.349 20 0 FGADRP CCOC(=O)C1([C@H](C)[NH2+]Cc2ccc(C(C)(F)F)cc2)CC[NH2+]CC1 ZINC000423132267 500346334 /nfs/dbraw/zinc/34/63/34/500346334.db2.gz IWGRQZGKSDIJNF-AWEZNQCLSA-N 2 0 354.441 3.209 20 0 FGADRP CCCOc1c(OC)cc(CC[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])cc1OC ZINC000423160198 500349896 /nfs/dbraw/zinc/34/98/96/500349896.db2.gz ZDSBMARTYGKUIT-IAGOWNOFSA-N 2 0 350.503 3.142 20 0 FGADRP Cc1ccc(C[C@H](CO)C[NH2+][C@H]2CCCC[C@H]2C[NH3+])cc1Br ZINC000423169805 500350663 /nfs/dbraw/zinc/35/06/63/500350663.db2.gz ZZDVSYWVGOEPMZ-BQFCYCMXSA-N 2 0 369.347 3.016 20 0 FGADRP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+]1C[C@@H](C)[C@H](C)[C@H]1C ZINC000419378548 500359447 /nfs/dbraw/zinc/35/94/47/500359447.db2.gz VUNAFDSGINCCRM-FCGDIQPGSA-N 2 0 357.542 3.132 20 0 FGADRP C[C@H]1C[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C[N@@H+]1Cc1ccccc1 ZINC000427152499 500359978 /nfs/dbraw/zinc/35/99/78/500359978.db2.gz KEMIVMLDPKVOPG-AZUAARDMSA-N 2 0 357.542 3.278 20 0 FGADRP C[C@H]([NH2+]CC[C@@H]1CCC[NH2+]C1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000423265189 500360141 /nfs/dbraw/zinc/36/01/41/500360141.db2.gz ZMZFOSSQYWOCME-IRXDYDNUSA-N 2 0 364.555 3.443 20 0 FGADRP C[C@H](CCc1ccc(I)cc1)[NH2+]CC1([NH3+])CCC1 ZINC000423320462 500364072 /nfs/dbraw/zinc/36/40/72/500364072.db2.gz GKQFBGBRIQLGJO-GFCCVEGCSA-N 2 0 358.267 3.083 20 0 FGADRP C[C@@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[NH2+]CCCC[NH3+] ZINC000423319991 500364188 /nfs/dbraw/zinc/36/41/88/500364188.db2.gz FYEZQZMQHPNVSY-JTQLQIEISA-N 2 0 351.800 3.404 20 0 FGADRP C[C@@H]([NH2+]Cc1ccc2c(c1)C[NH2+]C2)c1ccc(NC(=O)NC2CC2)cc1 ZINC000423368819 500367274 /nfs/dbraw/zinc/36/72/74/500367274.db2.gz DIRYPAORMGYSIV-CQSZACIVSA-N 2 0 350.466 3.425 20 0 FGADRP CCSc1ccc([C@H](C)[NH2+]C[C@H](N2CC[NH2+]CC2)C(F)(F)F)cc1 ZINC000423400692 500370094 /nfs/dbraw/zinc/37/00/94/500370094.db2.gz WZUCMTBKTUPKNU-BBRMVZONSA-N 2 0 361.477 3.285 20 0 FGADRP COCC1(C[NH2+][C@H]2CCCSc3ccc(OC)cc32)CC[NH2+]CC1 ZINC000423407202 500370987 /nfs/dbraw/zinc/37/09/87/500370987.db2.gz LXVMBCZHDSSCNK-KRWDZBQOSA-N 2 0 350.528 3.228 20 0 FGADRP COCC1(C[NH2+][C@@H](C)c2cc(C)c(Br)s2)CC[NH2+]CC1 ZINC000423412322 500372372 /nfs/dbraw/zinc/37/23/72/500372372.db2.gz WPHGMUVBGMEVGB-LBPRGKRZSA-N 2 0 361.349 3.486 20 0 FGADRP COCC1(C[NH2+][C@@H]2CCCOc3cc4c(cc32)CCCC4)CC[NH2+]CC1 ZINC000423413684 500372449 /nfs/dbraw/zinc/37/24/49/500372449.db2.gz ZORFIKHYQNAMCB-HXUWFJFHSA-N 2 0 358.526 3.385 20 0 FGADRP COCC1(C[NH2+][C@H](C)c2ccc(OC)cc2Br)CC[NH2+]CC1 ZINC000423413118 500372551 /nfs/dbraw/zinc/37/25/51/500372551.db2.gz YELHDAJEAONCEJ-CYBMUJFWSA-N 2 0 371.319 3.125 20 0 FGADRP C[C@@H]([NH2+][C@@H](C)CCC[NH3+])c1ccc(F)c(I)c1 ZINC000423448773 500375560 /nfs/dbraw/zinc/37/55/60/500375560.db2.gz FNHCZGZJLMCZGJ-VHSXEESVSA-N 2 0 350.219 3.208 20 0 FGADRP CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)c1ccc([C@@H](C)[NH3+])cc1 ZINC000423444052 500375606 /nfs/dbraw/zinc/37/56/06/500375606.db2.gz WFPFJBHCFOOJFZ-CQSZACIVSA-N 2 0 359.436 3.443 20 0 FGADRP C[C@H]([NH2+]C[C@@H]1CCC[C@@H]([NH3+])C1)c1ccccc1I ZINC000423475096 500377301 /nfs/dbraw/zinc/37/73/01/500377301.db2.gz ZUDJPIVOFNBKBA-YNEHKIRRSA-N 2 0 358.267 3.459 20 0 FGADRP COc1ccc(C[C@@H](C)[NH2+]C[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)cn1 ZINC000423476211 500377144 /nfs/dbraw/zinc/37/71/44/500377144.db2.gz QWZVNNUXLCFOGH-MOXGXCLJSA-N 2 0 357.473 3.143 20 0 FGADRP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C[C@@H]1CCC[NH2+]CC1 ZINC000427286949 500377781 /nfs/dbraw/zinc/37/77/81/500377781.db2.gz IAZVHJUOARWNPX-CTNGQTDRSA-N 2 0 357.542 3.137 20 0 FGADRP CC(=O)NCCc1ccc([C@H](C)[NH2+]CC2([NH3+])C3CC4CC(C3)CC2C4)cc1 ZINC000423517817 500381057 /nfs/dbraw/zinc/38/10/57/500381057.db2.gz BZAHUYJBTVEQSL-PINONDNOSA-N 2 0 369.553 3.169 20 0 FGADRP [NH3+]C1(CNC2CC[NH+](Cc3ccccc3)CC2)C2CC3CC(C2)CC1C3 ZINC000423517247 500381297 /nfs/dbraw/zinc/38/12/97/500381297.db2.gz BKSVBELRFAQYBB-UHFFFAOYSA-N 2 0 353.554 3.394 20 0 FGADRP COc1ccccc1[C@@H](C)[NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1 ZINC000423578258 500386037 /nfs/dbraw/zinc/38/60/37/500386037.db2.gz UIYMMPDXVQBSLF-GOSISDBHSA-N 2 0 353.510 3.339 20 0 FGADRP COc1ccc([C@@H](C)[NH2+]CC2(N)CC[NH+](Cc3ccccc3)CC2)c(F)c1 ZINC000423579070 500386096 /nfs/dbraw/zinc/38/60/96/500386096.db2.gz VQIXEQHWDGMVNS-QGZVFWFLSA-N 2 0 371.500 3.478 20 0 FGADRP Cc1c([C@H](C)[NH2+]CC2(N)CC[NH+](Cc3ccccc3)CC2)cnn1C(C)C ZINC000423573580 500386136 /nfs/dbraw/zinc/38/61/36/500386136.db2.gz OVRWTBAMGYAEFG-SFHVURJKSA-N 2 0 369.557 3.417 20 0 FGADRP C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)C[C@H]1CCCC[C@@H]1[NH3+] ZINC000423754499 500399689 /nfs/dbraw/zinc/39/96/89/500399689.db2.gz YROCTJFCQYUIPI-AEFFLSMTSA-N 2 0 351.922 3.138 20 0 FGADRP O=C(Nc1cccc(CC[NH+]2CCCC2)c1)[C@@]1(c2ccccc2)CC[NH2+]C1 ZINC000423776529 500400930 /nfs/dbraw/zinc/40/09/30/500400930.db2.gz QPQPBPOFBUPVND-QHCPKHFHSA-N 2 0 363.505 3.195 20 0 FGADRP COc1cccc([C@@H](CNC(=O)CC[C@@H]2CCCC[N@@H+]2C)[NH+]2CCCC2)c1 ZINC000431655078 500403566 /nfs/dbraw/zinc/40/35/66/500403566.db2.gz WGZZQMFTDMQPJQ-PZJWPPBQSA-N 2 0 373.541 3.213 20 0 FGADRP CCC[NH+]1CCC(NC(=O)N[C@@H]2CCCC[C@H]2C[NH+](CC)CC)CC1 ZINC000431661561 500404906 /nfs/dbraw/zinc/40/49/06/500404906.db2.gz AVZZOBNBVDNPHN-PKOBYXMFSA-N 2 0 352.567 3.061 20 0 FGADRP C[C@@H]([NH2+][C@@H]1COc2ccc(F)cc2C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000579520699 506193812 /nfs/dbraw/zinc/19/38/12/506193812.db2.gz KRPWEROBGIIOOW-BEFAXECRSA-N 2 0 358.457 3.420 20 0 FGADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)c1cccc(C[N@H+](C)Cc2ccccc2)c1 ZINC000427598038 500410202 /nfs/dbraw/zinc/41/02/02/500410202.db2.gz AUMSTUHIVSQCAA-DYESRHJHSA-N 2 0 351.494 3.046 20 0 FGADRP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)[C@H]2CCCCCC[C@@H]2[NH3+])CC1 ZINC000423839864 500410310 /nfs/dbraw/zinc/41/03/10/500410310.db2.gz DNGAERPANBDCKM-UXPWSPDFSA-N 2 0 358.530 3.021 20 0 FGADRP C[NH+](C)[C@@H](CNC(=O)C[C@@H](c1ccccc1)[NH+](C)C)c1ccc(F)cc1 ZINC000431727784 500415591 /nfs/dbraw/zinc/41/55/91/500415591.db2.gz VRMGOHHMPTXRJL-PMACEKPBSA-N 2 0 357.473 3.238 20 0 FGADRP [NH3+]C1(C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)CCCCC1 ZINC000423914463 500418828 /nfs/dbraw/zinc/41/88/28/500418828.db2.gz XXGGPQXHVAPLRY-WOJBJXKFSA-N 2 0 355.526 3.161 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)C[C@@H](c1ccccc1)[NH+](C)C ZINC000431830263 500430267 /nfs/dbraw/zinc/43/02/67/500430267.db2.gz JHKPEYRKIMGKRU-QIJUGHKUSA-N 2 0 365.521 3.316 20 0 FGADRP C[C@@H]1CCN(C(=O)c2cccc(C[N@H+](C)Cc3ccccc3)c2)C[C@H]1C[NH3+] ZINC000424003510 500433379 /nfs/dbraw/zinc/43/33/79/500433379.db2.gz RGXPLBMXJTYWKL-XMSQKQJNSA-N 2 0 365.521 3.376 20 0 FGADRP COC(=O)c1ccc(-c2nc(C[NH+]3CCC([C@@H](C)[NH3+])CC3)cs2)cc1 ZINC000420285905 500434412 /nfs/dbraw/zinc/43/44/12/500434412.db2.gz FAUGEXKKMOAMFI-CYBMUJFWSA-N 2 0 359.495 3.156 20 0 FGADRP CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)CC[C@@H]1CCCC[NH+]1C ZINC000431852935 500434527 /nfs/dbraw/zinc/43/45/27/500434527.db2.gz CEIJEPHYIODHLW-RTWAWAEBSA-N 2 0 357.542 3.231 20 0 FGADRP C[NH2+]CC1CC[NH+]([C@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)CC1 ZINC000420291788 500434824 /nfs/dbraw/zinc/43/48/24/500434824.db2.gz KVCYTINUUVIQJB-FQEVSTJZSA-N 2 0 355.457 3.437 20 0 FGADRP CC1(C)CCC[C@H](C(=O)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)C1 ZINC000424016114 500437018 /nfs/dbraw/zinc/43/70/18/500437018.db2.gz BLEXKZGMPOJKPY-IBGZPJMESA-N 2 0 357.542 3.313 20 0 FGADRP CC1(C(=O)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)CCCCCC1 ZINC000424020487 500437563 /nfs/dbraw/zinc/43/75/63/500437563.db2.gz OYICHFULGSSUSV-UHFFFAOYSA-N 2 0 357.542 3.457 20 0 FGADRP Cc1ccc(C(=O)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)c(Cl)c1 ZINC000424025311 500438690 /nfs/dbraw/zinc/43/86/90/500438690.db2.gz YYJCKLVDTLYZLH-UHFFFAOYSA-N 2 0 371.912 3.372 20 0 FGADRP COc1ccc(NC(=O)[C@H](c2ccccc2)N2C[C@H](C[NH3+])C[C@H]2C)cc1 ZINC000420311471 500439246 /nfs/dbraw/zinc/43/92/46/500439246.db2.gz HCIQXLCTFJYJFO-GUXCAODWSA-N 2 0 353.466 3.044 20 0 FGADRP CC[N@@H+](Cc1ccc(OC)c(OC)c1)C[C@@H](C[NH3+])c1ccc(OC)cc1 ZINC000420323437 500441702 /nfs/dbraw/zinc/44/17/02/500441702.db2.gz UGPZMZGMPYMQTG-GOSISDBHSA-N 2 0 358.482 3.277 20 0 FGADRP COc1ccc([C@@H](C[NH3+])C[N@@H+](Cc2ccccc2)C[C@@H]2CCCO2)cc1 ZINC000420323901 500441779 /nfs/dbraw/zinc/44/17/79/500441779.db2.gz UOSQXGXLYAYHCZ-UNMCSNQZSA-N 2 0 354.494 3.419 20 0 FGADRP C[C@H](c1cccc(Br)c1)[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000420328392 500442842 /nfs/dbraw/zinc/44/28/42/500442842.db2.gz MJHTXSGDJJKYEW-HIFRSBDPSA-N 2 0 353.304 3.197 20 0 FGADRP C[C@@H](C(=O)Nc1ccc(C(F)(F)F)cc1)[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000420331074 500443100 /nfs/dbraw/zinc/44/31/00/500443100.db2.gz BLMHJXVMRADRIE-SUMWQHHRSA-N 2 0 369.431 3.496 20 0 FGADRP Brc1ccccc1OCC[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420332755 500443340 /nfs/dbraw/zinc/44/33/40/500443340.db2.gz SHWYTTIWRBSKMY-LSDHHAIUSA-N 2 0 353.304 3.149 20 0 FGADRP CC[C@H](C(=O)N1CCC([C@H]2[NH2+]CC2(C)C)CC1)[N@H+](C)Cc1ccccc1 ZINC000424048721 500443514 /nfs/dbraw/zinc/44/35/14/500443514.db2.gz ZICCUKFOFKLSKX-WOJBJXKFSA-N 2 0 357.542 3.134 20 0 FGADRP C[C@@H](C(=O)Nc1cccc(C(F)(F)F)c1)[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000420337144 500443995 /nfs/dbraw/zinc/44/39/95/500443995.db2.gz JMZRDRIWKVJXBR-GUYCJALGSA-N 2 0 369.431 3.496 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)CC[C@@H]1CCCC[N@@H+]1C)Cc1ccccc1 ZINC000431926191 500444211 /nfs/dbraw/zinc/44/42/11/500444211.db2.gz VJIUXNURPYEVIT-SFTDATJTSA-N 2 0 359.558 3.320 20 0 FGADRP CCCOc1ccc(OCC[NH+]2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)cc1 ZINC000420374507 500450283 /nfs/dbraw/zinc/45/02/83/500450283.db2.gz HKHMAGINFYBWAD-NHCUHLMSSA-N 2 0 362.514 3.073 20 0 FGADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000431983957 500451742 /nfs/dbraw/zinc/45/17/42/500451742.db2.gz WDZLTFPVJIMBKZ-AABGKKOBSA-N 2 0 366.594 3.307 20 0 FGADRP C[NH+](C)CCCOC1CCN(C(=O)CC[C@H]([NH3+])CC2CCCCC2)CC1 ZINC000424177731 500464159 /nfs/dbraw/zinc/46/41/59/500464159.db2.gz UZMWVWNNVALHBA-IBGZPJMESA-N 2 0 367.578 3.024 20 0 FGADRP O[C@@H]1CCC[C@H]1[NH+]1CCC([NH2+][C@H](Cc2ccncc2)c2cccs2)CC1 ZINC000424277803 500480574 /nfs/dbraw/zinc/48/05/74/500480574.db2.gz CLEYLONGLSAQJK-VAMGGRTRSA-N 2 0 371.550 3.394 20 0 FGADRP CC(C)(C)c1cccc(OCC[NH+]2CCC(n3ncc4c3C[NH2+]C4)CC2)c1 ZINC000424290409 500481852 /nfs/dbraw/zinc/48/18/52/500481852.db2.gz MMRMNCNKTOGMHF-UHFFFAOYSA-N 2 0 368.525 3.500 20 0 FGADRP C[C@H]1CC2(C[N@@H+]1CC(=O)NCCc1ccc(C(C)(C)C)cc1)CC[NH2+]CC2 ZINC000424295059 500482197 /nfs/dbraw/zinc/48/21/97/500482197.db2.gz QOOGEMULUASODL-SFHVURJKSA-N 2 0 371.569 3.107 20 0 FGADRP C[C@H](NC(=O)C[N@@H+]1CC2(C[C@H]1C)CC[NH2+]CC2)c1ccc2ccccc2c1 ZINC000424292127 500482465 /nfs/dbraw/zinc/48/24/65/500482465.db2.gz OCRPFMINDWNQRU-MSOLQXFVSA-N 2 0 365.521 3.481 20 0 FGADRP C[C@@H]1CC2(C[N@@H+]1Cc1nn(-c3ccccc3)c3c1CCC3)CC[NH2+]CC2 ZINC000424301149 500483078 /nfs/dbraw/zinc/48/30/78/500483078.db2.gz XFHKTDYTDLVJTI-QGZVFWFLSA-N 2 0 350.510 3.325 20 0 FGADRP C[C@H]1CC2(C[N@@H+]1CC(=O)Nc1ccccc1C(F)(F)F)CC[NH2+]CC2 ZINC000424297516 500483202 /nfs/dbraw/zinc/48/32/02/500483202.db2.gz SUSXLQOTKLDLQI-ZDUSSCGKSA-N 2 0 355.404 3.108 20 0 FGADRP COc1cc(C[N@@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)c(SC)cc1OC ZINC000424380504 500494184 /nfs/dbraw/zinc/49/41/84/500494184.db2.gz PSIKRTMCHOXLCJ-AWEZNQCLSA-N 2 0 350.528 3.390 20 0 FGADRP C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)N(C)C[C@H]3CCC[NH+]3C)cc2)C1 ZINC000420782085 500500059 /nfs/dbraw/zinc/50/00/59/500500059.db2.gz QHTWQNCPNPUCSR-GHTZIAJQSA-N 2 0 372.557 3.154 20 0 FGADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC000570580080 506199376 /nfs/dbraw/zinc/19/93/76/506199376.db2.gz LKFBKWYBYQIZPL-PGRDOPGGSA-N 2 0 365.521 3.356 20 0 FGADRP CCOc1cc(CNCCC[N@@H+]2CCCO[C@@H](C)C2)cc(Cl)c1OC ZINC000432347702 500502086 /nfs/dbraw/zinc/50/20/86/500502086.db2.gz OKRWZJREGXKQPG-HNNXBMFYSA-N 2 0 370.921 3.338 20 0 FGADRP COc1ccc(Br)cc1CNCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000432349818 500502931 /nfs/dbraw/zinc/50/29/31/500502931.db2.gz XCRCIERWVVQBJX-AWEZNQCLSA-N 2 0 371.319 3.048 20 0 FGADRP Cc1cc(C[NH3+])cc(NC(=O)NC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000424443591 500506474 /nfs/dbraw/zinc/50/64/74/500506474.db2.gz KULJANZEIXJSHD-UHFFFAOYSA-N 2 0 352.482 3.240 20 0 FGADRP CC[NH+]1CCC(N2CCC[N@H+](CCO[C@@H]3CCCC[C@H]3C)CC2)CC1 ZINC000420984870 500548790 /nfs/dbraw/zinc/54/87/90/500548790.db2.gz UYUZTEGFIMYTRS-TZIWHRDSSA-N 2 0 351.579 3.074 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)c1sccc1C[NH+](C)C)Cc1ccccc1 ZINC000447429100 500604908 /nfs/dbraw/zinc/60/49/08/500604908.db2.gz UJYNJIQSGVWDDD-LJQANCHMSA-N 2 0 373.566 3.493 20 0 FGADRP C[C@H]1C[C@@H](NC(=O)c2cccc(C[N@H+](C)Cc3ccccc3)c2)CC[NH2+]1 ZINC000447513861 500615110 /nfs/dbraw/zinc/61/51/10/500615110.db2.gz ZLRISHPPEOAFOT-UWJYYQICSA-N 2 0 351.494 3.189 20 0 FGADRP O[C@H](C[NH2+][C@@H]1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1)C[NH+]1CCCC1 ZINC000442776162 500624612 /nfs/dbraw/zinc/62/46/12/500624612.db2.gz GVIZCRQIBXVYEU-KBAYOESNSA-N 2 0 356.432 3.388 20 0 FGADRP C[NH+](C)CCOCC[NH2+][C@@H]1CCc2c1cc(Br)cc2Cl ZINC000447600638 500631905 /nfs/dbraw/zinc/63/19/05/500631905.db2.gz NHXUTPJOAWGDNV-OAHLLOKOSA-N 2 0 361.711 3.258 20 0 FGADRP C[NH+](C)CCOCC[NH2+][C@H]1CCc2c1cc(Br)cc2Cl ZINC000447600637 500632129 /nfs/dbraw/zinc/63/21/29/500632129.db2.gz NHXUTPJOAWGDNV-HNNXBMFYSA-N 2 0 361.711 3.258 20 0 FGADRP Cc1ccc(CCC2CCN(C(=O)CCC[NH+]3CCC([NH3+])CC3)CC2)cc1 ZINC000433134797 500632890 /nfs/dbraw/zinc/63/28/90/500632890.db2.gz LZPOUKAXMAMDQO-UHFFFAOYSA-N 2 0 371.569 3.370 20 0 FGADRP C[N@@H+]1CCN(CC[NH2+][C@@H]2CCCOc3cc(Cl)ccc32)CC1(C)C ZINC000442866858 500636503 /nfs/dbraw/zinc/63/65/03/500636503.db2.gz JJJSQIHCELIFHE-QGZVFWFLSA-N 2 0 351.922 3.169 20 0 FGADRP Cc1nc(-c2ccc(NC(=O)CCC[NH+]3CCC([NH3+])CC3)cc2)cs1 ZINC000433164407 500637313 /nfs/dbraw/zinc/63/73/13/500637313.db2.gz REVTULWSPIKRCJ-UHFFFAOYSA-N 2 0 358.511 3.260 20 0 FGADRP Cc1cc([C@H]([NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)c2cccnc2)ccc1F ZINC000442872637 500637860 /nfs/dbraw/zinc/63/78/60/500637860.db2.gz JXBPIWROWIIWHO-NRFANRHFSA-N 2 0 370.516 3.234 20 0 FGADRP C[C@@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)c1nc(-c2ccccc2)cs1 ZINC000442875960 500638163 /nfs/dbraw/zinc/63/81/63/500638163.db2.gz XGIWSRMMPWSZFL-MRXNPFEDSA-N 2 0 358.555 3.487 20 0 FGADRP [NH3+]C1CC[NH+](CCCC(=O)Nc2ccc(OC3CCCC3)c(F)c2)CC1 ZINC000433166513 500638372 /nfs/dbraw/zinc/63/83/72/500638372.db2.gz GAKFCOXFJNXXOG-UHFFFAOYSA-N 2 0 363.477 3.289 20 0 FGADRP C[NH+](C)[C@@H]1CCOc2c(NC(=O)[C@@H]3CCC[N@@H+]3C3CCCC3)cccc21 ZINC000447724780 500653742 /nfs/dbraw/zinc/65/37/42/500653742.db2.gz YHJFCIGMXAAOTC-MOPGFXCFSA-N 2 0 357.498 3.417 20 0 FGADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H](O)Cc2ccc(C(F)(F)F)cc2)C[C@@H]1C ZINC000437570849 500661860 /nfs/dbraw/zinc/66/18/60/500661860.db2.gz RDKIOPZXAMHJDJ-WBAXXEDZSA-N 2 0 358.448 3.413 20 0 FGADRP C[N@H+](CC1CC1)C[C@H]1CC[NH+](C[C@@H](O)Cc2ccc(C(F)(F)F)cc2)C1 ZINC000437575777 500663147 /nfs/dbraw/zinc/66/31/47/500663147.db2.gz BGMBAAOITOSVFS-MJGOQNOKSA-N 2 0 370.459 3.273 20 0 FGADRP C[NH+](C)CCN(Cc1ccccc1)C(=O)C[C@H](c1ccccc1)[NH+](C)C ZINC000433313864 500669709 /nfs/dbraw/zinc/66/97/09/500669709.db2.gz SEUNQOHDVBNPEI-OAQYLSRUSA-N 2 0 353.510 3.270 20 0 FGADRP [NH3+]CC[C@H]1CCC[N@H+](CCC(=O)N[C@@H](c2cccs2)c2ccccc2)C1 ZINC000443057758 500670353 /nfs/dbraw/zinc/67/03/53/500670353.db2.gz LDENMZYTPDFOAW-DYESRHJHSA-N 2 0 371.550 3.405 20 0 FGADRP C[NH+](C)CCOc1ccc(NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)cc1 ZINC000433322770 500672280 /nfs/dbraw/zinc/67/22/80/500672280.db2.gz ZAQGJEMMKKSMNZ-HXUWFJFHSA-N 2 0 359.514 3.363 20 0 FGADRP [NH3+]CC[C@@H]1CCC[N@H+](CC(=O)N(Cc2ccccc2)c2ccccc2)C1 ZINC000443073241 500675128 /nfs/dbraw/zinc/67/51/28/500675128.db2.gz PFKHANPVABFPNY-FQEVSTJZSA-N 2 0 351.494 3.281 20 0 FGADRP C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+]C1CCC([NH3+])CC1 ZINC000437777132 500693737 /nfs/dbraw/zinc/69/37/37/500693737.db2.gz SFUGUTLSBSZVCG-XGNXJENSSA-N 2 0 354.292 3.026 20 0 FGADRP Cc1nn(C)c(C[NH2+]CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)c1Br ZINC000447944130 500694118 /nfs/dbraw/zinc/69/41/18/500694118.db2.gz ZHVWNHBRAFEAGL-OKILXGFUSA-N 2 0 371.367 3.339 20 0 FGADRP C[C@@H](NC(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1)C(C)(C)C[NH+](C)C ZINC000437808958 500699993 /nfs/dbraw/zinc/69/99/93/500699993.db2.gz HEHYTTIUWVWDLN-SJLPKXTDSA-N 2 0 352.567 3.059 20 0 FGADRP C[C@H]1C[C@H](NC(=O)[C@@]23CCC[C@@H]2C[NH+](Cc2ccccc2)C3)C[N@@H+]1C1CC1 ZINC000443275573 500703043 /nfs/dbraw/zinc/70/30/43/500703043.db2.gz PVJFGJMJYSSFJJ-JBYGMCGMSA-N 2 0 367.537 3.030 20 0 FGADRP C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000447993110 500703083 /nfs/dbraw/zinc/70/30/83/500703083.db2.gz YLJZHBSRJNTUDQ-LJQANCHMSA-N 2 0 364.578 3.061 20 0 FGADRP C[NH+](C)CCOc1ccccc1C(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000437835645 500703697 /nfs/dbraw/zinc/70/36/97/500703697.db2.gz BFKWOFQMORXFLX-IBGZPJMESA-N 2 0 373.541 3.154 20 0 FGADRP C[C@@H]1CC[N@H+](CCOc2ccc(NC(=O)C[C@H]([NH3+])c3ccccc3)cc2)C1 ZINC000448235574 500737171 /nfs/dbraw/zinc/73/71/71/500737171.db2.gz YUQMQFADIXRUHY-UTKZUKDTSA-N 2 0 367.493 3.436 20 0 FGADRP O=C(C[NH+]1CCC(CCC[NH+]2CCCC2)CC1)NCCCc1ccccc1 ZINC000443594491 500743425 /nfs/dbraw/zinc/74/34/25/500743425.db2.gz QPKPNRVGJRPAEC-UHFFFAOYSA-N 2 0 371.569 3.323 20 0 FGADRP CCc1ccc([C@@H](CNC(=O)N[C@H](C)C(C)(C)C[NH+](C)C)[NH+](C)C)cc1 ZINC000443652740 500750109 /nfs/dbraw/zinc/75/01/09/500750109.db2.gz LOIWOMPWEFNUJQ-VQIMIIECSA-N 2 0 362.562 3.127 20 0 FGADRP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)NC[C@@H]1CCC[NH+]1C1CCCCC1 ZINC000438327297 500770276 /nfs/dbraw/zinc/77/02/76/500770276.db2.gz LNUFYWKQQPZGQZ-QUCCMNQESA-N 2 0 364.578 3.299 20 0 FGADRP CC(C)CC[NH+]1CCC(CNC(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)CC1 ZINC000433962123 500772929 /nfs/dbraw/zinc/77/29/29/500772929.db2.gz MJJNQHJDQQTSMB-HXUWFJFHSA-N 2 0 364.578 3.061 20 0 FGADRP CC(C)CC[NH+]1CCC(CNC(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)CC1 ZINC000433962122 500772968 /nfs/dbraw/zinc/77/29/68/500772968.db2.gz MJJNQHJDQQTSMB-FQEVSTJZSA-N 2 0 364.578 3.061 20 0 FGADRP C[C@@H](C(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000607664868 506219694 /nfs/dbraw/zinc/21/96/94/506219694.db2.gz LJPKKGIINCOKLR-DXIQSLLYSA-N 2 0 371.569 3.271 20 0 FGADRP Cc1cc(N2CCC([NH2+]C3CC[NH+]([C@@H]4CCCC[C@H]4C)CC3)CC2)n[nH]1 ZINC000439146782 500863788 /nfs/dbraw/zinc/86/37/88/500863788.db2.gz OEQGYGBDPXGKAK-OXQOHEQNSA-N 2 0 359.562 3.320 20 0 FGADRP C[NH+](C)CCOC1CC[NH+](Cc2cnc(CCc3ccccc3)s2)CC1 ZINC000449025169 500901857 /nfs/dbraw/zinc/90/18/57/500901857.db2.gz GMVDSDYFAYQAHO-UHFFFAOYSA-N 2 0 373.566 3.471 20 0 FGADRP COc1cc(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)cc2ccccc21 ZINC000449037124 500907658 /nfs/dbraw/zinc/90/76/58/500907658.db2.gz MJRBWXMGNKYERY-AVRDEDQJSA-N 2 0 367.537 3.306 20 0 FGADRP CCN(CC)C(=O)[C@@H](C)[NH2+]Cc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000439596822 500917661 /nfs/dbraw/zinc/91/76/61/500917661.db2.gz OJARSVLYTZDYDJ-QGZVFWFLSA-N 2 0 357.498 3.258 20 0 FGADRP CCc1ccc([C@@H](CNC(=O)NCC2CC[NH+](C3CC3)CC2)[NH+](C)C)cc1 ZINC000444890221 500918158 /nfs/dbraw/zinc/91/81/58/500918158.db2.gz VOOIHIMCXPAHPZ-OAQYLSRUSA-N 2 0 372.557 3.025 20 0 FGADRP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]CCNC(=O)c2ccccc2)CC1 ZINC000449098598 500925168 /nfs/dbraw/zinc/92/51/68/500925168.db2.gz KATCISCPQWUWCN-LJQANCHMSA-N 2 0 365.521 3.102 20 0 FGADRP OCC[NH+]1CCC(C[NH2+][C@@H]2CCC[C@H]2Cc2ccc(Cl)cc2)CC1 ZINC000449120208 500929172 /nfs/dbraw/zinc/92/91/72/500929172.db2.gz CGZIGSRQSRBVKI-AZUAARDMSA-N 2 0 350.934 3.345 20 0 FGADRP C[C@@H](COc1ccc(Cl)c(Cl)c1)[NH2+]CC1CC[NH+](CCO)CC1 ZINC000449121242 500929948 /nfs/dbraw/zinc/92/99/48/500929948.db2.gz GSCQFQOVSLKJOT-ZDUSSCGKSA-N 2 0 361.313 3.055 20 0 FGADRP C[C@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)N(C)[C@@H]1CCC[NH+](C)C1 ZINC000607686994 506225288 /nfs/dbraw/zinc/22/52/88/506225288.db2.gz PPZPKNTXTLLKAF-RBUKOAKNSA-N 2 0 373.541 3.106 20 0 FGADRP CC(C)[NH+](CCC[NH2+]C[C@H](C)c1ccc(S(C)(=O)=O)cc1)C(C)C ZINC000449180623 500942660 /nfs/dbraw/zinc/94/26/60/500942660.db2.gz AWNGYPFYUGGKDN-KRWDZBQOSA-N 2 0 354.560 3.292 20 0 FGADRP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3cc4ccccc4nc3N3CCCCC3)C[C@H]12 ZINC000435379307 500963772 /nfs/dbraw/zinc/96/37/72/500963772.db2.gz LZMXTPUUJGYJNO-YSIASYRMSA-N 2 0 350.510 3.394 20 0 FGADRP CCOc1cc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)ccc1OCC(F)(F)F ZINC000435389028 500965907 /nfs/dbraw/zinc/96/59/07/500965907.db2.gz KIGMFVASVNMKGC-SOUVJXGZSA-N 2 0 358.404 3.196 20 0 FGADRP C[N@@H+]1CCN(CC[NH2+]Cc2cnc(CCc3ccccc3)s2)CC1(C)C ZINC000449305293 500971916 /nfs/dbraw/zinc/97/19/16/500971916.db2.gz ROXITOCBCSEYTP-UHFFFAOYSA-N 2 0 372.582 3.044 20 0 FGADRP O=C(NCc1ccc(C[NH+]2CCCC2)cc1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000440168732 500983453 /nfs/dbraw/zinc/98/34/53/500983453.db2.gz KTSKKXOIMCHJQI-OAQYLSRUSA-N 2 0 355.526 3.306 20 0 FGADRP CC(C)(C)CC(C)(C)[NH+]1CCC(NC[C@H]2CCCC[N@@H+]2CCO)CC1 ZINC000449398588 500993958 /nfs/dbraw/zinc/99/39/58/500993958.db2.gz VUERYVODCPMBPX-LJQANCHMSA-N 2 0 353.595 3.102 20 0 FGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N(CC)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000440538762 501021082 /nfs/dbraw/zinc/02/10/82/501021082.db2.gz RPOMDJASFIBYIM-NHCUHLMSSA-N 2 0 357.542 3.231 20 0 FGADRP Cn1nccc1[C@H]1C[C@@H]([NH2+]CC(C)(C)C[N@H+](C)Cc2ccccc2)CCO1 ZINC000449582001 501037332 /nfs/dbraw/zinc/03/73/32/501037332.db2.gz DAYPHODWHFEADI-PZJWPPBQSA-N 2 0 370.541 3.388 20 0 FGADRP C[C@H]([NH2+][C@@H]1CCO[C@H](c2ccnn2C)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000449586669 501038872 /nfs/dbraw/zinc/03/88/72/501038872.db2.gz GMCKTACZPSGGKE-RYTRXMBJSA-N 2 0 368.525 3.140 20 0 FGADRP C[NH+](C)C1(CNC(=O)NCc2ccccc2C[NH+]2CCCCCC2)CCC1 ZINC000445849110 501040832 /nfs/dbraw/zinc/04/08/32/501040832.db2.gz LZNVFMMUAXHCBG-UHFFFAOYSA-N 2 0 372.557 3.346 20 0 FGADRP C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)NCC2([NH+](C)C)CCC2)C1 ZINC000445851231 501040881 /nfs/dbraw/zinc/04/08/81/501040881.db2.gz BKVIKXHXJOINLN-SFHVURJKSA-N 2 0 372.557 3.202 20 0 FGADRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2ccc(Br)cc2C)CC1 ZINC000449744388 501072931 /nfs/dbraw/zinc/07/29/31/501072931.db2.gz GSGUOTXCMGLAMH-UHFFFAOYSA-N 2 0 368.363 3.263 20 0 FGADRP CC(C)[NH+]1CCC(N2CC[NH+](CCO[C@H]3CCCC[C@H]3C)CC2)CC1 ZINC000441043146 501078937 /nfs/dbraw/zinc/07/89/37/501078937.db2.gz SQVOUINHHZBKHR-CTNGQTDRSA-N 2 0 351.579 3.072 20 0 FGADRP CC[N@H+](CC(=O)NCc1ccccc1C[NH+]1C[C@H](C)C[C@H](C)C1)C1CC1 ZINC000441276332 501112776 /nfs/dbraw/zinc/11/27/76/501112776.db2.gz HIOVKFCIONKMDJ-HDICACEKSA-N 2 0 357.542 3.265 20 0 FGADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1cc(Cl)cc(C(F)(F)F)c1 ZINC000436411288 501122902 /nfs/dbraw/zinc/12/29/02/501122902.db2.gz LRZLUFVSEPBESK-ZDUSSCGKSA-N 2 0 363.855 3.474 20 0 FGADRP CC[NH+](CC)CCN(Cc1ccccc1)C(=O)N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000441382161 501130805 /nfs/dbraw/zinc/13/08/05/501130805.db2.gz NKEROCDJCOCAJY-ICSRJNTNSA-N 2 0 372.557 3.165 20 0 FGADRP C[N@@H+]1CCN(CC[NH2+]Cc2ccc(Br)c(Cl)c2)CC1(C)C ZINC000441377363 501130932 /nfs/dbraw/zinc/13/09/32/501130932.db2.gz GIRVVSZKPHGCBQ-UHFFFAOYSA-N 2 0 374.754 3.218 20 0 FGADRP Cc1cc(N2CCC[C@H]([NH2+]C3CC[NH+]([C@H]4CCCC[C@@H]4C)CC3)C2)n(C)n1 ZINC000446920536 501181529 /nfs/dbraw/zinc/18/15/29/501181529.db2.gz MNLKJOCNZGPDGR-YYWHXJBOSA-N 2 0 373.589 3.330 20 0 FGADRP CC(C)[C@H](COCc1ccccc1)[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000446936591 501183669 /nfs/dbraw/zinc/18/36/69/501183669.db2.gz NVWLHWXSNNOEFX-BDTNDASRSA-N 2 0 360.542 3.195 20 0 FGADRP OCC[C@H]1CCC[NH+]1Cc1cc(Cl)cc(C[N@H+]2CCC[C@@H]2CCO)c1 ZINC000450801238 501211257 /nfs/dbraw/zinc/21/12/57/501211257.db2.gz YXCUPDRKLAMNQU-WOJBJXKFSA-N 2 0 366.933 3.034 20 0 FGADRP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H](C)CCCc3cccnc3)cn2)CC1 ZINC000453068795 501262049 /nfs/dbraw/zinc/26/20/49/501262049.db2.gz STTJCQGHWHMPQO-IBGZPJMESA-N 2 0 367.541 3.120 20 0 FGADRP CC[C@@H]([NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1)c1ccsc1 ZINC000453133861 501275675 /nfs/dbraw/zinc/27/56/75/501275675.db2.gz RTOOCOHFVKNWBA-QGZVFWFLSA-N 2 0 351.560 3.416 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H](O)Cc1cccc(F)c1 ZINC000453230454 501295050 /nfs/dbraw/zinc/29/50/50/501295050.db2.gz DZDGYIINSIXMAG-YHYVQYDKSA-N 2 0 356.485 3.229 20 0 FGADRP Cc1nnc(CC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)s1 ZINC000453251126 501299010 /nfs/dbraw/zinc/29/90/10/501299010.db2.gz LCQQHDNVQNXGQY-GUDVDZBRSA-N 2 0 356.539 3.422 20 0 FGADRP Cc1nnc(CC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)s1 ZINC000453251128 501299413 /nfs/dbraw/zinc/29/94/13/501299413.db2.gz LCQQHDNVQNXGQY-IPMKNSEASA-N 2 0 356.539 3.422 20 0 FGADRP CCc1cccc(C[N@@H+]2CCC[C@H](CN3CCCN(C(C)=O)CC3)C2)c1 ZINC000451529602 501313540 /nfs/dbraw/zinc/31/35/40/501313540.db2.gz NKWIECFQXSSBNW-JOCHJYFZSA-N 2 0 357.542 3.015 20 0 FGADRP CO[C@@H]1COCC[C@@H]1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000453318810 501314038 /nfs/dbraw/zinc/31/40/38/501314038.db2.gz LMZZSLMJSYRUQU-OQEHDIDLSA-N 2 0 358.526 3.071 20 0 FGADRP CO[C@@H]1CC[N@H+](Cc2cccc(C[NH+]3CC[C@H](OC)[C@H](C)C3)c2)C[C@H]1C ZINC000451572627 501327804 /nfs/dbraw/zinc/32/78/04/501327804.db2.gz QTKAJVSDUXXEQI-YHBROIRLSA-N 2 0 360.542 3.400 20 0 FGADRP CO[C@@H]1CC[N@H+](Cc2ccc(C[NH+]3CC[C@H](OC)[C@H](C)C3)cc2)C[C@@H]1C ZINC000451574683 501328846 /nfs/dbraw/zinc/32/88/46/501328846.db2.gz RUXGPSBUOFHTJR-MTIDIVMFSA-N 2 0 360.542 3.400 20 0 FGADRP C[C@H]1CN(C(=O)NCCCC[NH+](C)C2CC2)CC[N@H+](Cc2ccccc2)C1 ZINC000455607777 501345969 /nfs/dbraw/zinc/34/59/69/501345969.db2.gz JKITWEWDZLIJLM-LJQANCHMSA-N 2 0 372.557 3.024 20 0 FGADRP CN(c1ccccc1C[NH2+]CCCC[N@H+](C)C1CC1)C1CC[NH+](C)CC1 ZINC000453592458 501356116 /nfs/dbraw/zinc/35/61/16/501356116.db2.gz FIUCUIGZJBQZCF-UHFFFAOYSA-N 3 0 358.574 3.181 20 0 FGADRP Cc1cc(NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)ccc1OCC[NH+](C)C ZINC000458206653 501392870 /nfs/dbraw/zinc/39/28/70/501392870.db2.gz ZVFFQULPCHANFQ-LJQANCHMSA-N 2 0 359.514 3.281 20 0 FGADRP C[NH+](C)[C@H]1CCc2cc(NC(=O)NCC(C)(C)C[NH+]3CCCC3)ccc21 ZINC000455859172 501401372 /nfs/dbraw/zinc/40/13/72/501401372.db2.gz PQIJQYNKYZGPIL-IBGZPJMESA-N 2 0 358.530 3.479 20 0 FGADRP C[C@H]1C[C@H](NC(=O)NC(C)(C)CCC[NH+](C)C)C[N@@H+]1Cc1ccccc1 ZINC000458575543 501478215 /nfs/dbraw/zinc/47/82/15/501478215.db2.gz XVJXSSODRJRUEB-HKUYNNGSSA-N 2 0 360.546 3.069 20 0 FGADRP C[C@@H](NC(=O)NC(C)(C)CCC[NH+](C)C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000458625452 501492463 /nfs/dbraw/zinc/49/24/63/501492463.db2.gz DYRWRWVZZQPRIU-IAGOWNOFSA-N 2 0 352.567 3.059 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)NC1CC[NH+](C2CCC2)CC1)CC(C)C ZINC000454605254 501589674 /nfs/dbraw/zinc/58/96/74/501589674.db2.gz CEVYTCMGLWMCJE-LJQANCHMSA-N 2 0 352.567 3.059 20 0 FGADRP C[N@@H+]1CCC[C@H](CCNC(=O)N2CCC(CCC[NH+]3CCCC3)CC2)C1 ZINC000459262286 501620812 /nfs/dbraw/zinc/62/08/12/501620812.db2.gz LNSDQXVBZSJVJA-HXUWFJFHSA-N 2 0 364.578 3.016 20 0 FGADRP CC[NH+](CC)CCOC1CC[NH+]([C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000459350535 501637383 /nfs/dbraw/zinc/63/73/83/501637383.db2.gz FWZCWLRRYXJUPQ-NRFANRHFSA-N 2 0 359.558 3.084 20 0 FGADRP C[C@H]1CN(c2ccccc2C[NH+]2CCC(CCC[NH+](C)C)CC2)CCO1 ZINC000459357358 501638209 /nfs/dbraw/zinc/63/82/09/501638209.db2.gz CVMDKRCRAFWUFN-IBGZPJMESA-N 2 0 359.558 3.466 20 0 FGADRP C[C@@H]1CN(c2ccccc2C[NH+]2CCC(CCC[NH+](C)C)CC2)CCO1 ZINC000459357364 501638292 /nfs/dbraw/zinc/63/82/92/501638292.db2.gz CVMDKRCRAFWUFN-LJQANCHMSA-N 2 0 359.558 3.466 20 0 FGADRP CCO[C@@H]1C[C@H]([NH2+]CC2CC[NH+](Cc3cccs3)CC2)[C@H]1SC ZINC000459393539 501645488 /nfs/dbraw/zinc/64/54/88/501645488.db2.gz VWKRZFLBUQUJMX-RCCFBDPRSA-N 2 0 354.585 3.459 20 0 FGADRP Cc1cc(F)c(CNCc2cccnc2N2CC[NH+](C)CC2)c(Cl)c1 ZINC000459393510 501645677 /nfs/dbraw/zinc/64/56/77/501645677.db2.gz VRJGYULONCXQBA-UHFFFAOYSA-N 2 0 362.880 3.224 20 0 FGADRP O=C(NC[C@@H]1CCC[N@@H+]1C1CCCCC1)NC1CC[NH+](C2CCC2)CC1 ZINC000454897792 501651483 /nfs/dbraw/zinc/65/14/83/501651483.db2.gz KEMNWCGYMXOYFS-FQEVSTJZSA-N 2 0 362.562 3.100 20 0 FGADRP Cc1cc(C[NH2+]CCc2ccc(OCC[NH+]3C[C@@H](C)[C@H](C)C3)cc2)no1 ZINC000459457649 501657543 /nfs/dbraw/zinc/65/75/43/501657543.db2.gz GMJYVHRNFPNOKR-IAGOWNOFSA-N 2 0 357.498 3.282 20 0 FGADRP CC[NH+](CC)CCOc1ccc(C(=O)Nc2cc(C)cc(C[NH3+])c2)cc1 ZINC000457385783 501691167 /nfs/dbraw/zinc/69/11/67/501691167.db2.gz WBIMKAPLIYGUDF-UHFFFAOYSA-N 2 0 355.482 3.427 20 0 FGADRP CC1CC[NH+](C[C@@H]2CCCN(C(=O)C3(C[NH+](C)C)CCCCC3)C2)CC1 ZINC000460188461 501753614 /nfs/dbraw/zinc/75/36/14/501753614.db2.gz IRCLOUUEDSKMQT-FQEVSTJZSA-N 2 0 363.590 3.469 20 0 FGADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2ccnn2-c2ccccc2C)C1 ZINC000474271361 501769550 /nfs/dbraw/zinc/76/95/50/501769550.db2.gz XPHUDTALWJWTMP-HXUWFJFHSA-N 2 0 356.514 3.113 20 0 FGADRP C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000467359665 501777266 /nfs/dbraw/zinc/77/72/66/501777266.db2.gz TUBNMQNXVRLVHD-OAHLLOKOSA-N 2 0 357.464 3.252 20 0 FGADRP Cc1cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)ccc1I ZINC000467381974 501781159 /nfs/dbraw/zinc/78/11/59/501781159.db2.gz OBPFMBHLBTZHGT-HUUCEWRRSA-N 2 0 370.278 3.316 20 0 FGADRP CCC[N@@H+]1CC[C@@H](CNC(=O)N(C)[C@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000470726053 501783169 /nfs/dbraw/zinc/78/31/69/501783169.db2.gz KIMCGVFZCKEQGP-SFTDATJTSA-N 2 0 372.557 3.024 20 0 FGADRP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)N1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000470746721 501789449 /nfs/dbraw/zinc/78/94/49/501789449.db2.gz OXMLRBHRQNJZOQ-ICSRJNTNSA-N 2 0 364.578 3.014 20 0 FGADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)N(C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000470758275 501794295 /nfs/dbraw/zinc/79/42/95/501794295.db2.gz WDYVGTHCHNRCFX-PZJWPPBQSA-N 2 0 372.557 3.167 20 0 FGADRP O=C(C[N@H+]1CCC[C@@H](c2ccc(F)cc2)CC1)NC1CC[NH+](C2CC2)CC1 ZINC000481542455 501808904 /nfs/dbraw/zinc/80/89/04/501808904.db2.gz LRUGWWZDZZJCCP-QGZVFWFLSA-N 2 0 373.516 3.138 20 0 FGADRP Cc1ccncc1N1CCN(Cc2ccc(OC(F)F)c(F)c2)CC1 ZINC000467536179 501818605 /nfs/dbraw/zinc/81/86/05/501818605.db2.gz DKBCZHTUEMXWIP-UHFFFAOYSA-N 2 0 351.372 3.453 20 0 FGADRP O=C(C[N@@H+]1CCCC2(CCC2)C1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000470866861 501833973 /nfs/dbraw/zinc/83/39/73/501833973.db2.gz PZKCBTKLABRBPB-UHFFFAOYSA-N 2 0 355.526 3.165 20 0 FGADRP CC[N@H+](C)Cc1cccc(CNC(=O)N2CC[NH+](C3CCCCC3)CC2)c1 ZINC000485489748 501835995 /nfs/dbraw/zinc/83/59/95/501835995.db2.gz JXJWUTPUYRWWHP-UHFFFAOYSA-N 2 0 372.557 3.298 20 0 FGADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)N[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000477946979 501836640 /nfs/dbraw/zinc/83/66/40/501836640.db2.gz VLBDWEYKRKAIDO-NHCUHLMSSA-N 2 0 374.573 3.238 20 0 FGADRP CCOC[C@@H]1CCC[C@@H]1[NH2+]CCCN1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000474467833 501845546 /nfs/dbraw/zinc/84/55/46/501845546.db2.gz LIUIFKVEQVUUMJ-FKBYEOEOSA-N 2 0 359.558 3.160 20 0 FGADRP CC[C@]1(C(=O)NCC2CC[NH+](Cc3ccccc3Cl)CC2)CCC[NH2+]1 ZINC000467696916 501847036 /nfs/dbraw/zinc/84/70/36/501847036.db2.gz WJGPLYMANRDVOV-HXUWFJFHSA-N 2 0 363.933 3.200 20 0 FGADRP CC[C@H](C)[NH2+][C@H](CNC(=O)NC1CC[NH+](C2CCC2)CC1)c1ccco1 ZINC000458775605 501870405 /nfs/dbraw/zinc/87/04/05/501870405.db2.gz RMWCYVPLQPHQNV-MAUKXSAKSA-N 2 0 362.518 3.025 20 0 FGADRP CCC[N@H+](CC)C[C@@H](C)NC(=O)N[C@@H](C)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000460647447 501885111 /nfs/dbraw/zinc/88/51/11/501885111.db2.gz HULRIERMGNHXIF-FGTMMUONSA-N 2 0 352.567 3.059 20 0 FGADRP CCC[N@H+](CC)C[C@H](C)NC(=O)N[C@@H](C)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000460647453 501885537 /nfs/dbraw/zinc/88/55/37/501885537.db2.gz HULRIERMGNHXIF-OKZBNKHCSA-N 2 0 352.567 3.059 20 0 FGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H](C)Cc2ccccc2C(F)(F)F)CC1 ZINC000481920532 501919409 /nfs/dbraw/zinc/91/94/09/501919409.db2.gz JJEHRSOKSKRNMN-SJORKVTESA-N 2 0 371.491 3.500 20 0 FGADRP C[NH+]1CCC(CC(=O)N[C@H](C[N@@H+]2CCc3ccccc3C2)C(C)(C)C)CC1 ZINC000485789765 501938443 /nfs/dbraw/zinc/93/84/43/501938443.db2.gz HJYPUJFHUPJDML-OAQYLSRUSA-N 2 0 371.569 3.308 20 0 FGADRP C[N@H+](CCNC(=O)[C@H]1CCC[NH+]1Cc1ccccc1)Cc1ccc(F)cc1 ZINC000482007432 501945383 /nfs/dbraw/zinc/94/53/83/501945383.db2.gz PHZNYNFTCOXFCG-OAQYLSRUSA-N 2 0 369.484 3.038 20 0 FGADRP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)[C@@H]2CCN2Cc2ccccc2)C1 ZINC000468130833 501966984 /nfs/dbraw/zinc/96/69/84/501966984.db2.gz PQCUNCJBBCWTQS-GGPKGHCWSA-N 2 0 357.542 3.134 20 0 FGADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000478407321 501971353 /nfs/dbraw/zinc/97/13/53/501971353.db2.gz PFCXSFGRZWWKPK-UHFFFAOYSA-N 2 0 374.573 3.448 20 0 FGADRP C[C@H]1C[C@@H](NC(=O)NCC(C)(C)C[NH+]2CCCC2)C[N@@H+]1Cc1ccccc1 ZINC000478412566 501973902 /nfs/dbraw/zinc/97/39/02/501973902.db2.gz DHSNPPKJQDKBGP-AZUAARDMSA-N 2 0 372.557 3.071 20 0 FGADRP C[C@@H]([NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1)c1cc2c(s1)CCC2 ZINC000482114104 501978920 /nfs/dbraw/zinc/97/89/20/501978920.db2.gz LAVGJUFLVDZGJV-QGZVFWFLSA-N 2 0 370.566 3.495 20 0 FGADRP c1ccc2c(c1)SCC[C@H]2[NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000482112997 501979230 /nfs/dbraw/zinc/97/92/30/501979230.db2.gz IKWKWWXGPAYVHI-HXUWFJFHSA-N 2 0 368.550 3.420 20 0 FGADRP [NH3+]C[C@H](Cc1ccccc1)[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1cccnc1 ZINC000478513527 502005463 /nfs/dbraw/zinc/00/54/63/502005463.db2.gz BZRBJHNWDPWXKA-FPOVZHCZSA-N 2 0 366.509 3.082 20 0 FGADRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)CC[NH+]2CCc3ccccc3C2)C1 ZINC000471390047 502008496 /nfs/dbraw/zinc/00/84/96/502008496.db2.gz LUTPOJOGNHLMGQ-GOSISDBHSA-N 2 0 357.542 3.062 20 0 FGADRP O=C(CC[N@H+](Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2)Nc1cccnc1 ZINC000478560582 502018651 /nfs/dbraw/zinc/01/86/51/502018651.db2.gz YCMUFQHBBNIXKV-GOSISDBHSA-N 2 0 370.522 3.116 20 0 FGADRP C[NH+](C)[C@@H](CNC(=O)C[N@@H+]1CC[C@@](C)(c2ccccc2)C1)c1ccccc1 ZINC000475042314 502032206 /nfs/dbraw/zinc/03/22/06/502032206.db2.gz WVVAEXPYWMVXNA-JTHBVZDNSA-N 2 0 365.521 3.069 20 0 FGADRP C[C@@H](CC[NH+]1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1)OCc1ccccc1 ZINC000475044593 502032962 /nfs/dbraw/zinc/03/29/62/502032962.db2.gz CKQCWQBVISYSOS-BDTNDASRSA-N 2 0 373.585 3.472 20 0 FGADRP CC[NH+](CC)C[C@H]1CCN(C(=O)c2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000464653823 502055548 /nfs/dbraw/zinc/05/55/48/502055548.db2.gz XIKGCOFOWSLSGK-HXUWFJFHSA-N 2 0 357.542 3.476 20 0 FGADRP CCCN(CCC[NH+](C)C)C(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000468442206 502060148 /nfs/dbraw/zinc/06/01/48/502060148.db2.gz JPFIYXFOXHTXSS-FQEVSTJZSA-N 2 0 360.546 3.197 20 0 FGADRP C[NH+](C)Cc1c2ccccc2oc1C(=O)NC[C@H]1[N@H+](C)CCCC1(C)C ZINC000468466654 502067022 /nfs/dbraw/zinc/06/70/22/502067022.db2.gz KQFOTGLQFYMMJU-GOSISDBHSA-N 2 0 357.498 3.345 20 0 FGADRP CC[C@@H]([NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1)c1cccs1 ZINC000482452393 502072654 /nfs/dbraw/zinc/07/26/54/502072654.db2.gz KSKGJRWXDXMYLJ-QGZVFWFLSA-N 2 0 359.543 3.181 20 0 FGADRP Cc1ccsc1[C@@H](C)[NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000482459120 502075252 /nfs/dbraw/zinc/07/52/52/502075252.db2.gz VEFMDPYJHZXICF-QGZVFWFLSA-N 2 0 359.543 3.100 20 0 FGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]C[C@H]2CCO[C@H](C)C2)CC1 ZINC000486199676 502079794 /nfs/dbraw/zinc/07/97/94/502079794.db2.gz PMXKCHJTEHCQBJ-SQNIBIBYSA-N 2 0 363.521 3.433 20 0 FGADRP Cc1ccc(C[N@H+]2CCCN(C(=O)C[NH2+][C@@H]3CCCC[C@@H]3C)CC2)cc1 ZINC000475157363 502085740 /nfs/dbraw/zinc/08/57/40/502085740.db2.gz YOTIBRMZRFYRIM-PZJWPPBQSA-N 2 0 357.542 3.198 20 0 FGADRP CC[NH+]1CCC(NC(=O)C[N@H+](C)[C@H]2CCC[C@H]2c2ccc(C)cc2)CC1 ZINC000464881103 502136853 /nfs/dbraw/zinc/13/68/53/502136853.db2.gz QTZRLDIFUTURTN-SFTDATJTSA-N 2 0 357.542 3.163 20 0 FGADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@@H]1CCCc2cc(Br)ccc21 ZINC000479058690 502150209 /nfs/dbraw/zinc/15/02/09/502150209.db2.gz JQXMOHKOIKMUNC-KBXCAEBGSA-N 2 0 366.347 3.052 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)[C@@H](C[NH3+])c1ccc(F)cc1)c1ccsc1 ZINC000479182914 502185731 /nfs/dbraw/zinc/18/57/31/502185731.db2.gz DAJUAXVAPOMCNK-ZWKOTPCHSA-N 2 0 363.502 3.129 20 0 FGADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)[C@@H](C[NH3+])c1ccc(F)cc1 ZINC000479186674 502187319 /nfs/dbraw/zinc/18/73/19/502187319.db2.gz MKVHWAYJENXYRJ-FQEVSTJZSA-N 2 0 357.473 3.025 20 0 FGADRP CC[NH+](CC)CCOc1ccc(NC(=O)[C@@H](C[NH3+])c2ccc(F)cc2)cc1 ZINC000479186600 502187821 /nfs/dbraw/zinc/18/78/21/502187821.db2.gz LRQMREAAHSZYNZ-FQEVSTJZSA-N 2 0 373.472 3.227 20 0 FGADRP C[C@H]([NH2+]CCCCC[NH+]1CCCCC1)c1cccc(NS(C)(=O)=O)c1 ZINC000482947289 502224445 /nfs/dbraw/zinc/22/44/45/502224445.db2.gz MSJXAGPRMTTZPY-KRWDZBQOSA-N 2 0 367.559 3.365 20 0 FGADRP CCN(CCC[NH+]1CCCC1)C(=O)NC[C@@H](C1CCCCC1)[NH+](C)C ZINC000472094800 502228785 /nfs/dbraw/zinc/22/87/85/502228785.db2.gz FXVRTCFDYLXJEJ-IBGZPJMESA-N 2 0 352.567 3.014 20 0 FGADRP CCN(CCC[NH+]1CCCC1)C(=O)NCC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC000472095776 502230052 /nfs/dbraw/zinc/23/00/52/502230052.db2.gz PWFNERKRXWRABX-SFHVURJKSA-N 2 0 352.567 3.014 20 0 FGADRP CCc1ccc([C@@H](CNC(=O)NCCC2CC[NH+](CC)CC2)[NH+](C)C)cc1 ZINC000465424810 502257684 /nfs/dbraw/zinc/25/76/84/502257684.db2.gz AYOMLKFQHHSWCV-OAQYLSRUSA-N 2 0 374.573 3.273 20 0 FGADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)NC[C@H](c2ccccc2)[NH+](CC)CC)C1 ZINC000465434096 502260454 /nfs/dbraw/zinc/26/04/54/502260454.db2.gz PHJKTMIBUCFDOV-TZIWHRDSSA-N 2 0 374.573 3.443 20 0 FGADRP CC[NH+]1CCC(CCNC(=O)NC(C)(C)CC[NH+]2CCCCCC2)CC1 ZINC000483110940 502276467 /nfs/dbraw/zinc/27/64/67/502276467.db2.gz ZGIOAOIWTVCJSN-UHFFFAOYSA-N 2 0 366.594 3.452 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H](c1ccccc1)C1CC1 ZINC000465491156 502277299 /nfs/dbraw/zinc/27/72/99/502277299.db2.gz OMMWYERZOBPELU-NHCUHLMSSA-N 2 0 372.557 3.195 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCN(c3ccccc3)C2)[C@@H](C)C1 ZINC000483126124 502282565 /nfs/dbraw/zinc/28/25/65/502282565.db2.gz BQUDJADNPFJEKG-VWPQPMDRSA-N 2 0 359.558 3.382 20 0 FGADRP Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC000469064415 502283713 /nfs/dbraw/zinc/28/37/13/502283713.db2.gz PLLIGTXJQKKJTF-CALCHBBNSA-N 2 0 361.555 3.355 20 0 FGADRP C[C@@H]1C[C@H](NC(=O)N2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)CC[NH+]1C ZINC000479537711 502289825 /nfs/dbraw/zinc/28/98/25/502289825.db2.gz OHAIULJYAAXFIP-QWFCFKBJSA-N 2 0 364.578 3.155 20 0 FGADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2ccc(-n3nc(C)cc3C)cc2)C1 ZINC000472266917 502290886 /nfs/dbraw/zinc/29/08/86/502290886.db2.gz YCJASORBXIRBQK-QFIPXVFZSA-N 2 0 370.541 3.422 20 0 FGADRP C[NH+](C)[C@H](CNC(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1)C1CCCCC1 ZINC000465540491 502298036 /nfs/dbraw/zinc/29/80/36/502298036.db2.gz LFKBTUYVGODXJK-WOJBJXKFSA-N 2 0 364.578 3.061 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC000469138020 502311936 /nfs/dbraw/zinc/31/19/36/502311936.db2.gz QHTQZIPLPHBVBM-CTNGQTDRSA-N 2 0 372.557 3.159 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C)CC(C)C ZINC000465581042 502315394 /nfs/dbraw/zinc/31/53/94/502315394.db2.gz XKIXPHIIOMIBLT-RBUKOAKNSA-N 2 0 354.583 3.259 20 0 FGADRP C[C@@H]1C[N@@H+](Cc2ccccc2C[NH2+]C/C=C/c2ccncc2)C[C@H](C)O1 ZINC000486960155 502316372 /nfs/dbraw/zinc/31/63/72/502316372.db2.gz AYFWFTJJHQCDGA-QCUQMOABSA-N 2 0 351.494 3.494 20 0 FGADRP CC(C)[N@H+]1CCc2nc(CN[C@H](C)C[NH+]3CCCCCC3)sc2C1 ZINC000479609850 502318127 /nfs/dbraw/zinc/31/81/27/502318127.db2.gz CNHLUSKTHXYLJX-MRXNPFEDSA-N 2 0 350.576 3.264 20 0 FGADRP CN(C)c1ncc(C[N@@H+]2CCCC[C@H]2[C@H](C[NH3+])Cc2ccccc2)s1 ZINC000472351538 502326836 /nfs/dbraw/zinc/32/68/36/502326836.db2.gz SWRCIVZITVWYOX-HKUYNNGSSA-N 2 0 358.555 3.381 20 0 FGADRP C[N@H+](CCNC(=O)NC1CC[NH+](C2CCCCC2)CC1)C1CCCCC1 ZINC000475907699 502328012 /nfs/dbraw/zinc/32/80/12/502328012.db2.gz TUXXHIQJFYUFSX-UHFFFAOYSA-N 2 0 364.578 3.347 20 0 FGADRP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCCC[NH+]1CCCC1 ZINC000465627790 502330247 /nfs/dbraw/zinc/33/02/47/502330247.db2.gz HFGYUFMRMXKNOR-OAQYLSRUSA-N 2 0 372.557 3.026 20 0 FGADRP C[NH+](C)Cc1ccccc1C(=O)N1CCC(CCCn2ccnc2)CC1 ZINC000487034791 502336988 /nfs/dbraw/zinc/33/69/88/502336988.db2.gz IQXPBBNYACDRAU-UHFFFAOYSA-N 2 0 354.498 3.277 20 0 FGADRP Brc1ccc(CN2CC[NH+](CCC3CC[NH2+]CC3)CC2)s1 ZINC000479690505 502346324 /nfs/dbraw/zinc/34/63/24/502346324.db2.gz UENAWWDTUCSRBQ-UHFFFAOYSA-N 2 0 372.376 3.018 20 0 FGADRP CC[NH+](CC)[C@H](C)CNC(=O)N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000472453708 502355445 /nfs/dbraw/zinc/35/54/45/502355445.db2.gz MUXGJZVJPQBOPY-RTBURBONSA-N 2 0 366.594 3.403 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H](C)[C@H](C)c1ccccc1 ZINC000476010597 502357486 /nfs/dbraw/zinc/35/74/86/502357486.db2.gz KGGBILDORSNZTE-QKNQBKEWSA-N 2 0 374.573 3.236 20 0 FGADRP CC[NH+](CC)C[C@@H](C)NC(=O)N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000465773196 502379832 /nfs/dbraw/zinc/37/98/32/502379832.db2.gz YTSKRIUWWONLNO-MOPGFXCFSA-N 2 0 360.546 3.023 20 0 FGADRP CCCN(CC[NH+]1CCCC1)C(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000479806908 502383019 /nfs/dbraw/zinc/38/30/19/502383019.db2.gz AFQIPBHJCLXEJQ-NRFANRHFSA-N 2 0 372.557 3.341 20 0 FGADRP CC[NH+](CC)CCCN[C@@H](C)c1cc(F)ccc1N1CC[NH+](CC)CC1 ZINC000472566869 502385783 /nfs/dbraw/zinc/38/57/83/502385783.db2.gz FNYBGFBQIIEYMG-SFHVURJKSA-N 2 0 364.553 3.350 20 0 FGADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)NC[C@@H](c2ccco2)[NH+](CC)CC)C1 ZINC000465809759 502391606 /nfs/dbraw/zinc/39/16/06/502391606.db2.gz JTSMRUPBZRBSNS-MSOLQXFVSA-N 2 0 364.534 3.036 20 0 FGADRP CC(C)c1nc2c([nH]1)C[C@H](C(=O)N[C@@H]1CC[N@H+](CC3CCCC3)C1)CC2 ZINC000476190479 502408433 /nfs/dbraw/zinc/40/84/33/502408433.db2.gz MBIDMCYSDCHJBN-IAGOWNOFSA-N 2 0 358.530 3.019 20 0 FGADRP O=C(CN1CC[C@@]2(CC[NH2+]C2)C1)N[C@@H](c1ccccc1)C1CCCCC1 ZINC000462392526 502419077 /nfs/dbraw/zinc/41/90/77/502419077.db2.gz LVEMABIAPVTWAX-FCHUYYIVSA-N 2 0 355.526 3.110 20 0 FGADRP CCC[N@H+](CC)Cc1ccc(C(=O)N2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)cc1 ZINC000483566132 502433118 /nfs/dbraw/zinc/43/31/18/502433118.db2.gz VZVKQPINYFHAIW-LEWJYISDSA-N 2 0 357.542 3.475 20 0 FGADRP CC[NH+](CC)CC1CCN(C(=O)N[C@@H](C)C[NH+]2CCCCCC2)CC1 ZINC000483626085 502446309 /nfs/dbraw/zinc/44/63/09/502446309.db2.gz QNCZWYYONRJRKQ-SFHVURJKSA-N 2 0 352.567 3.014 20 0 FGADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)NCc2cccc(C[NH+]3CCCC3)c2)C[C@H]1C ZINC000483683316 502461981 /nfs/dbraw/zinc/46/19/81/502461981.db2.gz KZVSKJIPYUEOES-WIYYLYMNSA-N 2 0 372.557 3.297 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NCCCC[NH+]2CCC[C@H](C)C2)C[C@@H]1C ZINC000483684649 502463634 /nfs/dbraw/zinc/46/36/34/502463634.db2.gz NTPNPGLJYBWDCE-FHWLQOOXSA-N 2 0 352.567 3.013 20 0 FGADRP C[C@H](CCCC(F)(F)F)[NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000480259671 502515746 /nfs/dbraw/zinc/51/57/46/502515746.db2.gz IGCGVGMSIWUCMD-MRXNPFEDSA-N 2 0 358.452 3.304 20 0 FGADRP CC(C)[NH+]1CCN(C(=O)NC[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000462744939 502555327 /nfs/dbraw/zinc/55/53/27/502555327.db2.gz NOMUQUSIKWWVCF-NRFANRHFSA-N 2 0 372.557 3.024 20 0 FGADRP C[C@H](CCc1ccsc1)[NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000462789630 502574747 /nfs/dbraw/zinc/57/47/47/502574747.db2.gz KIGOYRXINZMRMK-MRXNPFEDSA-N 2 0 359.539 3.150 20 0 FGADRP Cc1cc(NC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)ccc1OCC[NH+]1CCCC1 ZINC000469869169 502576411 /nfs/dbraw/zinc/57/64/11/502576411.db2.gz CJIHMNBPLIJJOR-ROUUACIJSA-N 2 0 359.514 3.281 20 0 FGADRP CC(C)c1cc(NC[C@H]2CCC[N@H+](Cc3cccs3)C2)nc(N(C)C)[nH+]1 ZINC000462798587 502579345 /nfs/dbraw/zinc/57/93/45/502579345.db2.gz QKGALUJIURFSNS-MRXNPFEDSA-N 2 0 373.570 3.474 20 0 FGADRP CCC1(C[NH+]2CCN([C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)CCOCC1 ZINC000582598488 506318156 /nfs/dbraw/zinc/31/81/56/506318156.db2.gz BHFRQQUFLSYSAQ-JOCHJYFZSA-N 2 0 371.569 3.085 20 0 FGADRP CC1CC[NH+](CCC[C@H]([NH2+]CCc2ncn(C)n2)c2ccc(F)cc2)CC1 ZINC000462820472 502586562 /nfs/dbraw/zinc/58/65/62/502586562.db2.gz WFBGBKFMMLFLKS-FQEVSTJZSA-N 2 0 373.520 3.340 20 0 FGADRP C[C@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1ccc(-c2ccncc2)cc1 ZINC000480548112 502599385 /nfs/dbraw/zinc/59/93/85/502599385.db2.gz CQSFNTUOBGQNGC-SFHVURJKSA-N 2 0 352.526 3.425 20 0 FGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000473496763 502610360 /nfs/dbraw/zinc/61/03/60/502610360.db2.gz IKLMYSSXBKBJJI-JTHBVZDNSA-N 2 0 369.553 3.376 20 0 FGADRP C[C@H]1C[NH+](CCC2CC[NH+](Cc3cccc4c3NCC4)CC2)C[C@H](C)O1 ZINC000469985466 502618331 /nfs/dbraw/zinc/61/83/31/502618331.db2.gz YCLRVZYMROXUKB-ROUUACIJSA-N 2 0 357.542 3.366 20 0 FGADRP CCN(CC[NH+]1CCCCCC1)C(=O)NC[C@@H](C)C[NH+]1CCCCC1 ZINC000484338990 502628423 /nfs/dbraw/zinc/62/84/23/502628423.db2.gz VBILBICCRZYMNL-LJQANCHMSA-N 2 0 352.567 3.016 20 0 FGADRP Brc1cc(CN2CCC([C@H]3CCC[NH2+]3)CC2)cc2c1OCO2 ZINC000470009887 502629218 /nfs/dbraw/zinc/62/92/18/502629218.db2.gz VEBNEBOJWILXAD-OAHLLOKOSA-N 2 0 367.287 3.142 20 0 FGADRP CCC[N@H+](Cc1cc2c(c(Br)c1)OCO2)C1CC[NH2+]CC1 ZINC000470022009 502633970 /nfs/dbraw/zinc/63/39/70/502633970.db2.gz FYHSQPUBBQXIQF-UHFFFAOYSA-N 2 0 355.276 3.142 20 0 FGADRP C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000476992048 502644673 /nfs/dbraw/zinc/64/46/73/502644673.db2.gz QWKOAHKCICCUPK-GHTZIAJQSA-N 2 0 370.541 3.051 20 0 FGADRP CCC[N@H+](C)CC(=O)NC[C@@H]1CCCCN1Cc1cccc(Cl)c1 ZINC000599111968 506326485 /nfs/dbraw/zinc/32/64/85/506326485.db2.gz PYONOCLKWLCXAS-SFHVURJKSA-N 2 0 351.922 3.153 20 0 FGADRP CC[NH+](CC)CCOC1CC[NH+](Cc2nc3ccccc3nc2C)CC1 ZINC000466744317 502660784 /nfs/dbraw/zinc/66/07/84/502660784.db2.gz PXQDRJHUJFTETP-UHFFFAOYSA-N 2 0 356.514 3.261 20 0 FGADRP CN(CC(=O)N(C)C1CCCCC1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000488431581 502713181 /nfs/dbraw/zinc/71/31/81/502713181.db2.gz OCNLVDPUCUKMHB-UHFFFAOYSA-N 2 0 363.468 3.126 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H](NCC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)[C@H](C)C1 ZINC000481033787 502735397 /nfs/dbraw/zinc/73/53/97/502735397.db2.gz HVDXLFVPOVCXEY-NCYKPQTJSA-N 2 0 367.622 3.470 20 0 FGADRP C[NH+](C)CCc1ccc(CNC(=O)NCC2([NH+](C)C)CCCCCC2)cc1 ZINC000466978503 502745410 /nfs/dbraw/zinc/74/54/10/502745410.db2.gz ZEDGDENRGHILOF-UHFFFAOYSA-N 2 0 374.573 3.245 20 0 FGADRP C[C@H](CNC(=O)N1CCC[C@@H]1C[NH+]1CCCCC1)[N@H+](C)Cc1ccccc1 ZINC000477342551 502748297 /nfs/dbraw/zinc/74/82/97/502748297.db2.gz RYGZVIVVBKVFBN-TZIWHRDSSA-N 2 0 372.557 3.167 20 0 FGADRP C[C@H](CNC(=O)NCCC[NH2+]C1CCCCC1)[N@H+](C)Cc1ccccc1 ZINC000477396942 502764150 /nfs/dbraw/zinc/76/41/50/502764150.db2.gz WBMAOINNWDVLAA-GOSISDBHSA-N 2 0 360.546 3.119 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCN2c3ccccc3C[C@H]2C)[C@H](C)C1 ZINC000481187183 502777248 /nfs/dbraw/zinc/77/72/48/502777248.db2.gz FKPNARPFKTVTTO-SBHAEUEKSA-N 2 0 359.558 3.164 20 0 FGADRP C[C@@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)C1CCC(F)(F)CC1 ZINC000474021441 502781326 /nfs/dbraw/zinc/78/13/26/502781326.db2.gz GYAJYIYESOERTE-OAHLLOKOSA-N 2 0 352.473 3.137 20 0 FGADRP C[NH+](C)CCOc1ccc(CC[NH2+][C@@H]2CCCC[C@H]2[C@@H]2CCOC2)cc1 ZINC000474032384 502785031 /nfs/dbraw/zinc/78/50/31/502785031.db2.gz IXMQZBZVTVQMBA-BAGYTPMASA-N 2 0 360.542 3.354 20 0 FGADRP CC(C)[NH+](CCCNC(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C)C(C)C ZINC000470468133 502786652 /nfs/dbraw/zinc/78/66/52/502786652.db2.gz XYASMLKXFVAXBN-IBGZPJMESA-N 2 0 366.525 3.237 20 0 FGADRP C[C@H](NC(=O)NCC[N@@H+]1CCCC[C@@H]1C)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000484974577 502790674 /nfs/dbraw/zinc/79/06/74/502790674.db2.gz SNJIQAINPFGLSB-IRFCIJBXSA-N 2 0 372.557 3.071 20 0 FGADRP COc1ccc2c(c1)C(C)(C)C[C@H]2[NH2+]C[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC000474058135 502794000 /nfs/dbraw/zinc/79/40/00/502794000.db2.gz XWHNJKCKLPHGFK-RTWAWAEBSA-N 2 0 359.558 3.279 20 0 FGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@@H]2CC(C)(C)c3cc(OC)ccc32)CC1 ZINC000474068587 502797009 /nfs/dbraw/zinc/79/70/09/502797009.db2.gz VIXPTELENBGSFO-LAUBAEHRSA-N 2 0 359.558 3.281 20 0 FGADRP CCC[NH+]1CCN(c2ccccc2C[NH+]2CCC(C)(COC)CC2)CC1 ZINC000500748048 502854142 /nfs/dbraw/zinc/85/41/42/502854142.db2.gz LDDDEJVACSNHPN-UHFFFAOYSA-N 2 0 359.558 3.467 20 0 FGADRP c1ccc(N2CCN(CCC[NH+]3CCC(C[NH+]4CCCC4)CC3)CC2)cc1 ZINC000509278468 502866688 /nfs/dbraw/zinc/86/66/88/502866688.db2.gz HPIHOFSYEKTWFB-UHFFFAOYSA-N 2 0 370.585 3.007 20 0 FGADRP CC[N@@H+]1CCC[C@@H](CNC(=O)NC[C@]2(C)CCC[NH+]2Cc2ccccc2)C1 ZINC000489076228 502874566 /nfs/dbraw/zinc/87/45/66/502874566.db2.gz POWOBAKYNYVWPB-UNMCSNQZSA-N 2 0 372.557 3.072 20 0 FGADRP CO[C@H](c1ccccc1Cl)[C@H](C)[NH2+]CCCN1CC[NH+](C(C)C)CC1 ZINC000500991929 502907422 /nfs/dbraw/zinc/90/74/22/502907422.db2.gz XFWXRYOFSAFFLJ-PXNSSMCTSA-N 2 0 367.965 3.422 20 0 FGADRP Fc1ccc(F)c2c1CC[C@@H]2[NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000513348058 502911332 /nfs/dbraw/zinc/91/13/32/502911332.db2.gz HRTLPONRLFWBDX-FQEVSTJZSA-N 2 0 372.463 3.149 20 0 FGADRP CCOc1ccc([C@H](C)[NH2+]CCCN2CC[NH+](C(C)C)CC2)cc1OC ZINC000501039402 502919261 /nfs/dbraw/zinc/91/92/61/502919261.db2.gz WWKLRNYVICFFQV-SFHVURJKSA-N 2 0 363.546 3.161 20 0 FGADRP COC(=O)c1cccc(C[N@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000501043288 502920755 /nfs/dbraw/zinc/92/07/55/502920755.db2.gz BTPGDEHOULVXNM-UHFFFAOYSA-N 2 0 353.466 3.217 20 0 FGADRP CCc1ccc([C@@H]2CCC[N@@H+](CC(=O)NC3CC[NH+](CC)CC3)C2)cc1 ZINC000513406414 502929348 /nfs/dbraw/zinc/92/93/48/502929348.db2.gz RGMQULKWTHBPHQ-HXUWFJFHSA-N 2 0 357.542 3.029 20 0 FGADRP C[C@H]1CC[N@H+](CCOc2ccc(NC(=O)[C@H]([NH3+])c3ccccc3)cc2)C1 ZINC000497298229 502930748 /nfs/dbraw/zinc/93/07/48/502930748.db2.gz XYUNVEYDKXHZFY-OXJNMPFZSA-N 2 0 353.466 3.046 20 0 FGADRP CC[N@H+](CCC1CC[NH+](Cc2ccc3c(c2)oc(=O)n3C)CC1)CC1CC1 ZINC000509560306 502935123 /nfs/dbraw/zinc/93/51/23/502935123.db2.gz OBBLDWDAVQDXMG-UHFFFAOYSA-N 2 0 371.525 3.466 20 0 FGADRP CC[C@H](C)[NH2+][C@@H](CNC(=O)N1CCC(CC[NH+](C)C)CC1)c1ccco1 ZINC000509566213 502935910 /nfs/dbraw/zinc/93/59/10/502935910.db2.gz DHHCENVFPWTZSP-WMZOPIPTSA-N 2 0 364.534 3.082 20 0 FGADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)NC[C@H]([NH2+][C@H](C)CC)c2ccco2)C1 ZINC000509569607 502937282 /nfs/dbraw/zinc/93/72/82/502937282.db2.gz NOKWTPRYXOMSFF-SQNIBIBYSA-N 2 0 364.534 3.082 20 0 FGADRP C[C@H]1C[C@H](CC[NH2+]Cc2ccc(C(=O)N(C)C)[nH]2)C[N@@H+]1Cc1ccccc1 ZINC000513493903 502952671 /nfs/dbraw/zinc/95/26/71/502952671.db2.gz DLPZZRGLMZTVIQ-HKUYNNGSSA-N 2 0 368.525 3.107 20 0 FGADRP C[N@@H+]1C[C@H](NC(=O)c2cccc(C[NH+]3CCCC3)c2)[C@@H](c2ccccc2)C1 ZINC000497417609 502954081 /nfs/dbraw/zinc/95/40/81/502954081.db2.gz ODNLVOSBJUMSET-YADHBBJMSA-N 2 0 363.505 3.110 20 0 FGADRP CC[NH+]1CCN(c2ccccc2C[N@H+](C)Cc2ccc(OC)cc2)CC1 ZINC000505746114 502977155 /nfs/dbraw/zinc/97/71/55/502977155.db2.gz RZCOVAMBFMOTMD-UHFFFAOYSA-N 2 0 353.510 3.469 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CCc1cc2ccccc2o1 ZINC000505782304 502984797 /nfs/dbraw/zinc/98/47/97/502984797.db2.gz FHAJEGVSFADBFR-IBGZPJMESA-N 2 0 371.525 3.240 20 0 FGADRP C[C@H]1CCC[N@H+](CCCCNC(=O)NC[C@H](C2CCCCC2)[NH+](C)C)C1 ZINC000501402456 503002215 /nfs/dbraw/zinc/00/22/15/503002215.db2.gz ZJQVFPORTKCJKT-AZUAARDMSA-N 2 0 366.594 3.308 20 0 FGADRP C[NH+](Cc1cccc(C[N@@H+](C)[C@@H](CO)C(C)(C)C)c1)[C@H](CO)C(C)(C)C ZINC000489686824 503011392 /nfs/dbraw/zinc/01/13/92/503011392.db2.gz RPCLDNABRSOZRC-BGYRXZFFSA-N 2 0 364.574 3.364 20 0 FGADRP CC(C)OC[C@@H](C)[NH2+]Cc1cc(C(F)(F)F)ccc1N1CC[NH+](C)CC1 ZINC000501455855 503012100 /nfs/dbraw/zinc/01/21/00/503012100.db2.gz SOQNYKPPXYVDNS-OAHLLOKOSA-N 2 0 373.463 3.360 20 0 FGADRP C[C@H](CNC(=O)NCCCC[NH+]1CCC(C)CC1)[N@@H+]1CCCC[C@@H]1C ZINC000501490215 503019617 /nfs/dbraw/zinc/01/96/17/503019617.db2.gz JOAYXPKQEQRDAH-RBUKOAKNSA-N 2 0 352.567 3.061 20 0 FGADRP C[NH+](C)CCN(CC1CCCCC1)C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000489758591 503027114 /nfs/dbraw/zinc/02/71/14/503027114.db2.gz NXDDLONZOZASBP-RTBURBONSA-N 2 0 352.567 3.013 20 0 FGADRP COc1cccc(CCC[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)c1 ZINC000506023558 503030933 /nfs/dbraw/zinc/03/09/33/503030933.db2.gz ZZVUWQDFXVGTGG-UHFFFAOYSA-N 2 0 360.542 3.452 20 0 FGADRP CC[NH+](CC)Cc1ccc(CNC(=O)NCC[NH+]2CCC(C)CC2)cc1 ZINC000501545866 503033788 /nfs/dbraw/zinc/03/37/88/503033788.db2.gz LRGNFMVMTSNMOS-UHFFFAOYSA-N 2 0 360.546 3.060 20 0 FGADRP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)NCc2ccccc2C[NH+]2CCCCC2)C1 ZINC000489793881 503036715 /nfs/dbraw/zinc/03/67/15/503036715.db2.gz CZEUWPPADNZYOU-NHCUHLMSSA-N 2 0 372.557 3.345 20 0 FGADRP CC(C)[N@@H+]1CCCN(C(=O)N[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000489836878 503045917 /nfs/dbraw/zinc/04/59/17/503045917.db2.gz BOGAVVIJLKXASA-CTNGQTDRSA-N 2 0 372.557 3.023 20 0 FGADRP COc1ccc([C@@H](CNC(=O)[C@H](C)[NH+]2CCCCCC2)[NH+]2CCCC2)cc1 ZINC000510183203 503066358 /nfs/dbraw/zinc/06/63/58/503066358.db2.gz FQJRCFCRAOQEJX-GHTZIAJQSA-N 2 0 373.541 3.213 20 0 FGADRP CC(C)[NH+]1CCC([N@H+](C)C[C@@H](O)CO[C@H]2CCCc3ccccc32)CC1 ZINC000514010132 503067800 /nfs/dbraw/zinc/06/78/00/503067800.db2.gz SUJIXHGUPLERCI-IRLDBZIGSA-N 2 0 360.542 3.246 20 0 FGADRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCCC[NH+](C)Cc2ccccc2)C1 ZINC000514010490 503068016 /nfs/dbraw/zinc/06/80/16/503068016.db2.gz AQDNZKIPAKPACW-LJQANCHMSA-N 2 0 374.573 3.318 20 0 FGADRP C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000501734555 503069676 /nfs/dbraw/zinc/06/96/76/503069676.db2.gz KUCNDEQFZGBRGO-SFHVURJKSA-N 2 0 367.484 3.120 20 0 FGADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)NCCCNc2ccccn2)C1 ZINC000514051027 503075371 /nfs/dbraw/zinc/07/53/71/503075371.db2.gz SXVOEEZIRPWATM-PKOBYXMFSA-N 2 0 367.497 3.018 20 0 FGADRP CC[NH+](CC)Cc1ccc(CNC(=O)N[C@@H](C)C[NH+]2CCCCC2)cc1 ZINC000501786236 503079191 /nfs/dbraw/zinc/07/91/91/503079191.db2.gz UKYHNEPISCSWTO-SFHVURJKSA-N 2 0 360.546 3.202 20 0 FGADRP CC1(C)CCCC[C@@H]1CC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000501808516 503084832 /nfs/dbraw/zinc/08/48/32/503084832.db2.gz ZUHUNAHHAUXBBC-LJQANCHMSA-N 2 0 372.557 3.316 20 0 FGADRP C[NH+](C)C[C@H](NC(=O)CC[C@@H]1CCCC[N@@H+]1C)c1ccc(Cl)cc1 ZINC000510293706 503086679 /nfs/dbraw/zinc/08/66/79/503086679.db2.gz AKXBCWFZCURNGK-ROUUACIJSA-N 2 0 351.922 3.323 20 0 FGADRP C[C@H](CNC(=O)NCC[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)[NH+](C)C1CC1 ZINC000510305148 503088796 /nfs/dbraw/zinc/08/87/96/503088796.db2.gz DLIIYFNOJJFHCG-GGPKGHCWSA-N 2 0 372.557 3.069 20 0 FGADRP C[C@H]1CCC[NH+](C(C)(C)CNC(=O)NCCCC[N@H+]2CCC[C@H](C)C2)C1 ZINC000514122699 503093630 /nfs/dbraw/zinc/09/36/30/503093630.db2.gz NANVGXGAGAEWGS-OALUTQOASA-N 2 0 366.594 3.308 20 0 FGADRP Cc1ccc([C@H](CNC(=O)c2ccc(-n3ccnc3)cc2)[NH+]2CCCC2)o1 ZINC000506349917 503098674 /nfs/dbraw/zinc/09/86/74/503098674.db2.gz FAJUYDXFCYYKRE-IBGZPJMESA-N 2 0 364.449 3.341 20 0 FGADRP [NH3+][C@H](C(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1)c1ccccc1 ZINC000498176342 503124822 /nfs/dbraw/zinc/12/48/22/503124822.db2.gz MAGJMOFCBCZHPR-NRFANRHFSA-N 2 0 363.505 3.201 20 0 FGADRP C[NH+](C)CCOc1cccc(NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)c1 ZINC000514413648 503128782 /nfs/dbraw/zinc/12/87/82/503128782.db2.gz SDGOSFYIJVGPNX-UHFFFAOYSA-N 2 0 362.518 3.058 20 0 FGADRP C[C@@H]([NH3+])[C@@H](C)NC(=O)c1ccc(SCc2cn3ccccc3n2)cc1 ZINC000514602970 503147179 /nfs/dbraw/zinc/14/71/79/503147179.db2.gz VIDCPKOKBVAPEY-ZIAGYGMSSA-N 2 0 354.479 3.092 20 0 FGADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000506711943 503159534 /nfs/dbraw/zinc/15/95/34/503159534.db2.gz RZHOCVNCQSZIAR-FQEVSTJZSA-N 2 0 364.578 3.158 20 0 FGADRP C[C@@H](CCc1c(F)cccc1F)[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000510716886 503177706 /nfs/dbraw/zinc/17/77/06/503177706.db2.gz GBVXFTJTIGXONS-JKSUJKDBSA-N 2 0 352.469 3.376 20 0 FGADRP O=C(NCC[NH+]1CCCC1)c1ccc(C[NH2+][C@H]2CC[C@H]2C2CCC2)cc1 ZINC000510735378 503182010 /nfs/dbraw/zinc/18/20/10/503182010.db2.gz OEHMAPHPMDFNRA-SFTDATJTSA-N 2 0 355.526 3.181 20 0 FGADRP COCC[C@@H]1CCC[C@H]1[NH2+]CCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000502362650 503186995 /nfs/dbraw/zinc/18/69/95/503186995.db2.gz AMOKXAJLTKHUOM-RBBKRZOGSA-N 2 0 359.558 3.384 20 0 FGADRP Cc1nccn1CCC[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000510980980 503228929 /nfs/dbraw/zinc/22/89/29/503228929.db2.gz RGRTXMSXHGGRQZ-BHIFYINESA-N 2 0 352.526 3.472 20 0 FGADRP C[C@H](C(=O)N[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCCCCC1 ZINC000490812348 503230557 /nfs/dbraw/zinc/23/05/57/503230557.db2.gz KLGOPGBVWCXYEW-ZVDOUQERSA-N 2 0 357.542 3.278 20 0 FGADRP C[C@H]([NH2+]C(C)(C)CNC(=O)NCC[N@H+](C)C1CCCC1)c1ccccc1 ZINC000502793395 503273989 /nfs/dbraw/zinc/27/39/89/503273989.db2.gz JNLGWSOIWAFPTL-KRWDZBQOSA-N 2 0 360.546 3.289 20 0 FGADRP CC[NH+](CC)CC(=O)N[C@H](c1ccc(F)c(F)c1)C(C)(C)[NH+]1CCCC1 ZINC000502811522 503278306 /nfs/dbraw/zinc/27/83/06/503278306.db2.gz QQGLLWFZYBGYKG-LJQANCHMSA-N 2 0 367.484 3.338 20 0 FGADRP CN1CCC[C@H](C[NH2+][C@@H]2CCC[C@@H](S(C)(=O)=O)C2)[C@@H]1c1cccs1 ZINC000511245129 503286086 /nfs/dbraw/zinc/28/60/86/503286086.db2.gz ZIWPFZZBMCSKTC-YFHUEUNASA-N 2 0 370.584 3.076 20 0 FGADRP C[C@H]1CCC[N@H+](CCCCNC(=O)N2CCC([NH+]3CCCCC3)CC2)C1 ZINC000502876290 503296075 /nfs/dbraw/zinc/29/60/75/503296075.db2.gz MTJKRDNOVWUQOJ-IBGZPJMESA-N 2 0 364.578 3.158 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)C1 ZINC000502896129 503301937 /nfs/dbraw/zinc/30/19/37/503301937.db2.gz UCDSDARZPALGCU-HSALFYBXSA-N 2 0 364.578 3.014 20 0 FGADRP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)C1 ZINC000502896237 503302164 /nfs/dbraw/zinc/30/21/64/503302164.db2.gz UCDSDARZPALGCU-VAMGGRTRSA-N 2 0 364.578 3.014 20 0 FGADRP C[C@H](NC(=O)NCC[NH+]1[C@H](C)CCC[C@H]1C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511418873 503318012 /nfs/dbraw/zinc/31/80/12/503318012.db2.gz UWSUBCJMVGQNQO-AKHDSKFASA-N 2 0 364.578 3.202 20 0 FGADRP CC[N@H+](CCNC(=O)N[C@H]1CC[NH+](Cc2ccccc2)CC1(C)C)C(C)C ZINC000511423276 503319167 /nfs/dbraw/zinc/31/91/67/503319167.db2.gz VUNQNHGWRQLZJQ-FQEVSTJZSA-N 2 0 374.573 3.317 20 0 FGADRP CC[C@H]([NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1c(C)nn(C)c1C ZINC000515413279 503332832 /nfs/dbraw/zinc/33/28/32/503332832.db2.gz QZICTCPZXFRAEK-BBTUJRGHSA-N 2 0 354.498 3.334 20 0 FGADRP CCCN(C(=O)NCC[NH+](C)C1CC1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000491837533 503333185 /nfs/dbraw/zinc/33/31/85/503333185.db2.gz LWLGERFHVQWFQI-OAQYLSRUSA-N 2 0 372.557 3.167 20 0 FGADRP C[C@@H](NC(=O)NC1CC[NH+](C2CCCC2)CC1)[C@H](c1ccccc1)[NH+](C)C ZINC000499104957 503335456 /nfs/dbraw/zinc/33/54/56/503335456.db2.gz YMBIWNUGJHIBPK-DYESRHJHSA-N 2 0 372.557 3.384 20 0 FGADRP C[NH+](C)[C@H](CNC(=O)[C@H]1CCC[N@@H+]1Cc1ccccc1)c1ccccc1 ZINC000511668290 503367112 /nfs/dbraw/zinc/36/71/12/503367112.db2.gz SIHXMFWPGOTAKN-NHCUHLMSSA-N 2 0 351.494 3.070 20 0 FGADRP CC[NH+](CC)Cc1ccc(NC(=O)[C@@H]2COCCN2C2CCCC2)cc1 ZINC000507840672 503378358 /nfs/dbraw/zinc/37/83/58/503378358.db2.gz JXSDTDMIYGWOQB-FQEVSTJZSA-N 2 0 359.514 3.110 20 0 FGADRP C[C@@H](CNC(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)C[NH+]1CCCCC1 ZINC000515820016 503407027 /nfs/dbraw/zinc/40/70/27/503407027.db2.gz BJZNIDZHCKRORB-PZJWPPBQSA-N 2 0 372.557 3.072 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)NCC1(C)CC[NH+](C)CC1)c1ccccc1 ZINC000508032777 503416480 /nfs/dbraw/zinc/41/64/80/503416480.db2.gz MQDLTHWMFLPJMD-IBGZPJMESA-N 2 0 360.546 3.101 20 0 FGADRP CCc1cc(C(=O)N(CC[NH+](C)C)C[C@@H]2CCC[N@H+]2CC)sc1C ZINC000499512876 503422554 /nfs/dbraw/zinc/42/25/54/503422554.db2.gz IHLCIAQAQDYAEI-KRWDZBQOSA-N 2 0 351.560 3.107 20 0 FGADRP CCn1cc(C(=O)N(CC[NH+](C)C)C[C@@H]2CCC[N@@H+]2CC)c2ccccc21 ZINC000499526532 503425801 /nfs/dbraw/zinc/42/58/01/503425801.db2.gz JERLYSGZABJDCC-SFHVURJKSA-N 2 0 370.541 3.149 20 0 FGADRP CCc1ccc(C[NH2+]CCc2ccc(OCC[NH+]3CCCC3)cc2)cn1 ZINC000511977366 503426911 /nfs/dbraw/zinc/42/69/11/503426911.db2.gz HBUWQJKIELJROE-UHFFFAOYSA-N 2 0 353.510 3.451 20 0 FGADRP CC[NH+]1CCN(c2ccc(C(=O)N(C)CC[NH+](C(C)C)C(C)C)cc2)CC1 ZINC000508096767 503430215 /nfs/dbraw/zinc/43/02/15/503430215.db2.gz JFNBXFWKJBFTFJ-UHFFFAOYSA-N 2 0 374.573 3.019 20 0 FGADRP CN1C(=O)C[C@H](NCCC[NH+]2CCCCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000493887564 503453010 /nfs/dbraw/zinc/45/30/10/503453010.db2.gz FTJPTUIZFKXWIT-PKOBYXMFSA-N 2 0 367.896 3.217 20 0 FGADRP C[C@H]([NH2+]C1(CNC(=O)N2CCC[C@H]([NH+](C)C)C2)CCCC1)c1ccccc1 ZINC000503699093 503462089 /nfs/dbraw/zinc/46/20/89/503462089.db2.gz KFIYGJCMMCJXGT-ICSRJNTNSA-N 2 0 372.557 3.386 20 0 FGADRP C[C@H]1CC[C@@H](c2ccccc2)[N@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000512182631 503479646 /nfs/dbraw/zinc/47/96/46/503479646.db2.gz FLJJRJJQOIAFOQ-UWJYYQICSA-N 2 0 355.526 3.203 20 0 FGADRP Cn1cnnc1C[N@@H+]1CCCCC[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000516254639 503483220 /nfs/dbraw/zinc/48/32/20/503483220.db2.gz XNTQFRPHTWZHGT-OAQYLSRUSA-N 2 0 367.541 3.472 20 0 FGADRP CCC[NH+]1CCN(c2ccccc2C[NH2+]CC2(C)CC[NH+](C)CC2)CC1 ZINC000503923809 503490915 /nfs/dbraw/zinc/49/09/15/503490915.db2.gz BKQCNZIVFAEYAJ-UHFFFAOYSA-N 3 0 358.574 3.040 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccc(F)c(SC)c1 ZINC000499928605 503513227 /nfs/dbraw/zinc/51/32/27/503513227.db2.gz VXVVYVHIBXIOGQ-INIZCTEOSA-N 2 0 367.534 3.036 20 0 FGADRP C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000504130428 503527842 /nfs/dbraw/zinc/52/78/42/503527842.db2.gz ZMKMPMSXIUIUPO-YZGWKJHDSA-N 2 0 362.562 3.052 20 0 FGADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]Cc3ccccc3Cn3cncn3)CC2)C1 ZINC000508730734 503552788 /nfs/dbraw/zinc/55/27/88/503552788.db2.gz ROBVMPTVWDTTLW-GCJKJVERSA-N 2 0 367.541 3.459 20 0 FGADRP CN1CCN(c2cc[nH+]cc2NC(=O)c2ccc(C(C)(C)C)cc2)CC1 ZINC000516625089 503553864 /nfs/dbraw/zinc/55/38/64/503553864.db2.gz XXWOHXZPFIKWJJ-UHFFFAOYSA-N 2 0 352.482 3.383 20 0 FGADRP Cc1ncc(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)n1-c1ccccc1 ZINC000512468960 503562552 /nfs/dbraw/zinc/56/25/52/503562552.db2.gz NOGVWKIVJHEHSB-UHFFFAOYSA-N 2 0 368.525 3.115 20 0 FGADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)NCc1cccc2ccccc21 ZINC000504462452 503577795 /nfs/dbraw/zinc/57/77/95/503577795.db2.gz JVFSQEOLZNQXQA-UHFFFAOYSA-N 2 0 370.541 3.255 20 0 FGADRP C[C@H](NC(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1)[C@@H](c1ccccc1)[NH+](C)C ZINC000508852705 503578187 /nfs/dbraw/zinc/57/81/87/503578187.db2.gz NDJWLKYKWXFTFO-DSKINZAPSA-N 2 0 372.557 3.051 20 0 FGADRP C[C@H]1C[C@@H](CCNC(=O)C[NH+]2CCC(C)CC2)C[N@@H+]1Cc1ccccc1 ZINC000512545455 503581440 /nfs/dbraw/zinc/58/14/40/503581440.db2.gz OFIRUMFPSOCHCU-PZJWPPBQSA-N 2 0 357.542 3.135 20 0 FGADRP Cc1ccccc1[C@@H]([C@H](C)NC(=O)N1CCC(CC[NH+](C)C)CC1)[NH+](C)C ZINC000508898122 503593592 /nfs/dbraw/zinc/59/35/92/503593592.db2.gz KLOJCLRDLPNJBV-GHTZIAJQSA-N 2 0 374.573 3.360 20 0 FGADRP Cc1ccccc1[C@H]([C@@H](C)NC(=O)N1CC[C@@H](C[NH+]2CCCC2)C1)[NH+](C)C ZINC000508909730 503598049 /nfs/dbraw/zinc/59/80/49/503598049.db2.gz XNQLXKMFSQFYGW-DYXWJJEUSA-N 2 0 372.557 3.114 20 0 FGADRP FC(F)(F)COCC[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000512637199 503600602 /nfs/dbraw/zinc/60/06/02/503600602.db2.gz SMWWXZIEEAUFAU-KZNAEPCWSA-N 2 0 356.432 3.456 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(C[NH2+][C@H]3CCC(=O)NC3(C)C)cc2)C1 ZINC000494890987 503630464 /nfs/dbraw/zinc/63/04/64/503630464.db2.gz OREUHRRJHIGNQN-QKLQHJQFSA-N 2 0 357.542 3.311 20 0 FGADRP CC1(C)NC(=O)CC[C@@H]1[NH2+]CCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000495078211 503661375 /nfs/dbraw/zinc/66/13/75/503661375.db2.gz IRWROEYOYSDGSJ-NRFANRHFSA-N 2 0 371.569 3.368 20 0 FGADRP C[NH+](C)CCOC1CC[NH+](Cc2cnn(-c3ccc(Cl)cc3)c2)CC1 ZINC000536676658 503674729 /nfs/dbraw/zinc/67/47/29/503674729.db2.gz LIQIMEQIUQTJDX-UHFFFAOYSA-N 2 0 362.905 3.068 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H](NC[C@@H]2CCCC[NH+]2CC(C)C)[C@H](C)C1 ZINC000540147205 503688025 /nfs/dbraw/zinc/68/80/25/503688025.db2.gz QNDKPEBAKCIPDC-HKBOAZHASA-N 2 0 353.595 3.224 20 0 FGADRP C[C@H]([NH2+]C[C@@H](O)COc1ccccc1C(F)(F)F)C(C)(C)C[NH+](C)C ZINC000517359504 503725138 /nfs/dbraw/zinc/72/51/38/503725138.db2.gz GPOQRTKNZRRSLD-UONOGXRCSA-N 2 0 362.436 3.011 20 0 FGADRP CC(C)[C@H]([NH2+]C[C@H](c1cccs1)N1CCN(C)CC1)c1cccnc1 ZINC000540260726 503727135 /nfs/dbraw/zinc/72/71/35/503727135.db2.gz KASZBQVPVNKNPO-QUCCMNQESA-N 2 0 358.555 3.419 20 0 FGADRP C[C@@H](CCNC(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1)[NH+]1CCCCC1 ZINC000543351635 503735217 /nfs/dbraw/zinc/73/52/17/503735217.db2.gz MAVNLUGOYFTRHM-ZCNNSNEGSA-N 2 0 366.594 3.308 20 0 FGADRP Cc1nn(-c2cc[nH+]cc2)cc1CN1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000543394801 503752178 /nfs/dbraw/zinc/75/21/78/503752178.db2.gz OBMBEDBXAFEWII-UHFFFAOYSA-N 2 0 361.493 3.202 20 0 FGADRP Cc1nn(-c2cc[nH+]cc2)cc1CN1CCC[C@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000543397057 503752843 /nfs/dbraw/zinc/75/28/43/503752843.db2.gz VZUQZYHXXIGDOC-FVJLSDCUSA-N 2 0 353.514 3.413 20 0 FGADRP Cc1nn(-c2cc[nH+]cc2)cc1CN1CCC[C@H]([NH+]2[C@@H](C)CC[C@@H]2C)C1 ZINC000543397056 503753442 /nfs/dbraw/zinc/75/34/42/503753442.db2.gz VZUQZYHXXIGDOC-FIKGOQFSSA-N 2 0 353.514 3.413 20 0 FGADRP C[C@H]([NH2+]CC[C@@H]1CCC[N@@H+]1C)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000540388947 503756397 /nfs/dbraw/zinc/75/63/97/503756397.db2.gz XQBADYLEJQQQKY-JXFKEZNVSA-N 2 0 352.482 3.469 20 0 FGADRP Cc1ccccc1[C@@H](CN1CCOCC1)[NH2+]CCCC[NH+]1CCC(C)CC1 ZINC000543406955 503757292 /nfs/dbraw/zinc/75/72/92/503757292.db2.gz BMAPUHIOWWOULV-HSZRJFAPSA-N 2 0 373.585 3.470 20 0 FGADRP C[C@@H]1CCC[C@](CNC(=O)NC[C@@H](c2ccsc2)[NH+](C)C)([NH+](C)C)C1 ZINC000517511492 503760534 /nfs/dbraw/zinc/76/05/34/503760534.db2.gz ZWGUAWZPVWVFLK-AYBZRNKSSA-N 2 0 366.575 3.161 20 0 FGADRP Brc1ccc(OCC[NH2+]C2CC[NH+](CC3CC3)CC2)cc1 ZINC000540412543 503762581 /nfs/dbraw/zinc/76/25/81/503762581.db2.gz RMKDGZKRSKJWPZ-UHFFFAOYSA-N 2 0 353.304 3.292 20 0 FGADRP C[C@H]1C[N@H+](CCOc2ccc(CC[NH2+]Cc3ccc(CO)o3)cc2)C[C@H]1C ZINC000537024414 503779773 /nfs/dbraw/zinc/77/97/73/503779773.db2.gz KPXUGSMNHTVXSH-HDICACEKSA-N 2 0 372.509 3.071 20 0 FGADRP O=C(NC[C@H]1CC[N@@H+]1C1CCCC1)[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000530024186 503797881 /nfs/dbraw/zinc/79/78/81/503797881.db2.gz KVFRDBBOIYTCLD-TZIWHRDSSA-N 2 0 355.526 3.032 20 0 FGADRP C[C@@H]1C[NH+](CCOc2ccc(CC[NH2+][C@@H]3CC[N@H+](C)C[C@@H]3C)cc2)C[C@H]1C ZINC000537093265 503800087 /nfs/dbraw/zinc/80/00/87/503800087.db2.gz FPRCQRBTQFYCSE-ISHFTEKXSA-N 3 0 373.585 3.126 20 0 FGADRP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCc2cn3ccc(C)cc3n2)C1 ZINC000517703981 503812379 /nfs/dbraw/zinc/81/23/79/503812379.db2.gz WYTGLMAANJQUNX-KRWDZBQOSA-N 2 0 371.529 3.343 20 0 FGADRP CCC[C@@H]1CN(C(=O)N[C@H]2CC[NH+](C)[C@H](C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000540573280 503821115 /nfs/dbraw/zinc/82/11/15/503821115.db2.gz VUSULWKASODIKQ-HLAWJBBLSA-N 2 0 372.557 3.165 20 0 FGADRP CC1CC[NH+]([C@@H](CNC(=O)CCCC[NH+](C)C)c2cccs2)CC1 ZINC000517765742 503831511 /nfs/dbraw/zinc/83/15/11/503831511.db2.gz GLHVTICHEGLQCD-KRWDZBQOSA-N 2 0 351.560 3.369 20 0 FGADRP CCO[C@@H]1C[C@H]([NH2+]C2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)C12CCCCC2 ZINC000540607033 503833058 /nfs/dbraw/zinc/83/30/58/503833058.db2.gz KSXBTZFDIAZWML-YSTOQKLRSA-N 2 0 350.547 3.082 20 0 FGADRP NC(=O)[C@H]1CCC[N@H+](Cc2cccc(C[NH2+][C@H]3CCCC34CCC4)c2)C1 ZINC000517850615 503850459 /nfs/dbraw/zinc/85/04/59/503850459.db2.gz XEABBQHVNCGREF-PMACEKPBSA-N 2 0 355.526 3.196 20 0 FGADRP C[NH+](C)CC1(CNC(=O)NCCCCC[NH+]2CCCCC2)CCCC1 ZINC000543697708 503855591 /nfs/dbraw/zinc/85/55/91/503855591.db2.gz RJRBNWLOXGFYPX-UHFFFAOYSA-N 2 0 352.567 3.064 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)N(C)CCC[NH+]1CCCC1)c1ccsc1 ZINC000537305570 503874169 /nfs/dbraw/zinc/87/41/69/503874169.db2.gz YTANPPYWLQWUHY-SFHVURJKSA-N 2 0 366.575 3.258 20 0 FGADRP Cc1ccc2c(C[NH+]3CCC(CO[C@H]4CC[NH2+]C4)CC3)cc(=O)oc2c1C ZINC000530240135 503889259 /nfs/dbraw/zinc/88/92/59/503889259.db2.gz KWKLJMBNVAXGFX-IBGZPJMESA-N 2 0 370.493 3.000 20 0 FGADRP Cc1cc(Br)c(C[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)s1 ZINC000530248284 503894663 /nfs/dbraw/zinc/89/46/63/503894663.db2.gz IAMNCGQVGUDALK-CQSZACIVSA-N 2 0 373.360 3.410 20 0 FGADRP CCO[C@@H]1C[C@H]([NH2+][C@@H](C)c2cccc(OCC[NH+](C)C)c2)[C@]12CCCO2 ZINC000546874262 503911862 /nfs/dbraw/zinc/91/18/62/503911862.db2.gz KSGWBDJOCWTTJV-VRXWPRPYSA-N 2 0 362.514 3.004 20 0 FGADRP C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)CCN(C)c1cc[nH+]cc1 ZINC000540926270 503941162 /nfs/dbraw/zinc/94/11/62/503941162.db2.gz GBVWCUKDPDOBDI-IBGZPJMESA-N 2 0 366.509 3.031 20 0 FGADRP CC(C)[C@@H]1CN(C(=O)N[C@@H]2CC[NH+](C)[C@H](C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000527812243 503955553 /nfs/dbraw/zinc/95/55/53/503955553.db2.gz VVDOVYWGOOFTCH-NRSPTQNISA-N 2 0 372.557 3.021 20 0 FGADRP COCC[C@H](c1ccccc1)[NH+]1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000533832052 503964752 /nfs/dbraw/zinc/96/47/52/503964752.db2.gz QJWZJXLCYBIINX-JAXLGGSGSA-N 2 0 359.558 3.255 20 0 FGADRP CC(C)[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1ccc(F)cn1 ZINC000540988817 503966501 /nfs/dbraw/zinc/96/65/01/503966501.db2.gz QELLTYXAMYSQGY-CTNGQTDRSA-N 2 0 357.473 3.274 20 0 FGADRP CC(C)[NH+]1CCC([NH2+]C2CCN(C(=O)CCc3ccccc3)CC2)CC1 ZINC000544000630 503967058 /nfs/dbraw/zinc/96/70/58/503967058.db2.gz YDXIYFCYUCIYTI-UHFFFAOYSA-N 2 0 357.542 3.073 20 0 FGADRP COc1cc(C)c(C[NH+]2CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)c(C)n1 ZINC000540999323 503970887 /nfs/dbraw/zinc/97/08/87/503970887.db2.gz KVIDBWGACZKLEH-IAGOWNOFSA-N 2 0 361.530 3.028 20 0 FGADRP CC[NH+](CC)CCCC1CCN(C(=O)NC[C@H]2CCCC[N@@H+]2CC)CC1 ZINC000541097383 504006591 /nfs/dbraw/zinc/00/65/91/504006591.db2.gz UVXCELBXBMWTOH-HXUWFJFHSA-N 2 0 366.594 3.404 20 0 FGADRP CC[NH+](CC)CCCC1CCN(C(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000541120855 504015716 /nfs/dbraw/zinc/01/57/16/504015716.db2.gz RGNRQKPRRKDLMR-MJGOQNOKSA-N 2 0 352.567 3.013 20 0 FGADRP C[C@H](CCN1C(=O)c2ccccc2C1=O)[NH2+]CC(C)(C)N1CCC[C@H](C)C1 ZINC000547367963 504078377 /nfs/dbraw/zinc/07/83/77/504078377.db2.gz XSMCCTZKSPJJFH-DLBZAZTESA-N 2 0 371.525 3.161 20 0 FGADRP CC[N@H+](C)Cc1cccc(CNC(=O)NC[C@H]2CC[NH+]2C2CCCCC2)c1 ZINC000528150673 504094345 /nfs/dbraw/zinc/09/43/45/504094345.db2.gz SELVFBABDWTYOX-OAQYLSRUSA-N 2 0 372.557 3.345 20 0 FGADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000530840422 504103927 /nfs/dbraw/zinc/10/39/27/504103927.db2.gz BKNRGQSWFJOUHK-YJBOKZPZSA-N 2 0 366.937 3.116 20 0 FGADRP C[C@H]1CCCC[C@@H]1C[NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000544370495 504106322 /nfs/dbraw/zinc/10/63/22/504106322.db2.gz FVHVDRAEOOPVHT-GHTZIAJQSA-N 2 0 357.542 3.428 20 0 FGADRP CC(C)[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)c1ccc2[nH]c(=O)oc2c1 ZINC000538115011 504135548 /nfs/dbraw/zinc/13/55/48/504135548.db2.gz WYYQNFPMUDAWHW-HBFSDRIKSA-N 2 0 373.497 3.198 20 0 FGADRP C[C@H]1C[NH+](CCC2CC[NH+](Cc3ccccc3N(C)C)CC2)C[C@H](C)O1 ZINC000530939829 504136180 /nfs/dbraw/zinc/13/61/80/504136180.db2.gz MQZXBVQPMWNJEZ-OALUTQOASA-N 2 0 359.558 3.464 20 0 FGADRP CN1CCC([NH+]2CCC(NC(=O)c3cccc(C(F)F)c3F)CC2)CC1 ZINC000528315825 504165332 /nfs/dbraw/zinc/16/53/32/504165332.db2.gz NDMPLUYAAFWXRT-UHFFFAOYSA-N 2 0 369.431 3.052 20 0 FGADRP CN(C)CC[NH+]1CCC(C[NH2+][C@H]2CCCOc3cc(Cl)ccc32)CC1 ZINC000538216271 504165562 /nfs/dbraw/zinc/16/55/62/504165562.db2.gz QDDVUKYVENSDRW-IBGZPJMESA-N 2 0 365.949 3.417 20 0 FGADRP CC[C@@H]([NH2+]CC1CC[NH+](Cc2ccc(OC)cc2)CC1)c1ccn(C)n1 ZINC000544575575 504179310 /nfs/dbraw/zinc/17/93/10/504179310.db2.gz MTJVYTJFNZAKJQ-HXUWFJFHSA-N 2 0 356.514 3.382 20 0 FGADRP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)NCCCC[N@@H+]1CCCC[C@@H]1C ZINC000544622279 504195451 /nfs/dbraw/zinc/19/54/51/504195451.db2.gz WJUPOWAGKKIZRM-ROUUACIJSA-N 2 0 352.567 3.013 20 0 FGADRP C[C@H]1C[C@H]1c1ccc(C[NH2+]CC2CC[NH+](CC(=O)NC(C)(C)C)CC2)o1 ZINC000538413179 504240336 /nfs/dbraw/zinc/24/03/36/504240336.db2.gz ZGJXKSWMISYMFG-MAUKXSAKSA-N 2 0 361.530 3.119 20 0 FGADRP Cc1ccc([C@H]([NH2+]Cc2ccnc(N3CC[NH+](C)CC3)c2)C2CCC2)o1 ZINC000541745117 504241565 /nfs/dbraw/zinc/24/15/65/504241565.db2.gz WFGSXHGWXKQQMY-OAQYLSRUSA-N 2 0 354.498 3.366 20 0 FGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cc(C)nc(N3CCCC3)c2)[C@@H](C)C1 ZINC000519571428 504257674 /nfs/dbraw/zinc/25/76/74/504257674.db2.gz QNUVHAPCVSKBKD-GHTZIAJQSA-N 2 0 374.573 3.217 20 0 FGADRP C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)C[NH+]3CCC(C)(C)C3)cc2)C1 ZINC000519574836 504258837 /nfs/dbraw/zinc/25/88/37/504258837.db2.gz STPMKEYWGBTLHR-SFHVURJKSA-N 2 0 357.542 3.267 20 0 FGADRP O=C(NC1CC[NH+](C2CCCC2)CC1)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000531376329 504284032 /nfs/dbraw/zinc/28/40/32/504284032.db2.gz MLFGEVLGOCZRCO-UHFFFAOYSA-N 2 0 364.493 3.384 20 0 FGADRP C[NH+](C)C1CCC([NH2+]CCS(=O)(=O)c2ccc(C(C)(C)C)cc2)CC1 ZINC000519657527 504291338 /nfs/dbraw/zinc/29/13/38/504291338.db2.gz UIDIHRVYLYXCNO-UHFFFAOYSA-N 2 0 366.571 3.220 20 0 FGADRP C[NH+](C)CCN(C(=O)Nc1cc(Cl)ccc1Cl)C1CC[NH+](C)CC1 ZINC000531411037 504297635 /nfs/dbraw/zinc/29/76/35/504297635.db2.gz MGCSXKMLRJBVSL-UHFFFAOYSA-N 2 0 373.328 3.483 20 0 FGADRP CC[NH+](CC)CCCC1CC[NH+](CC(=O)NC(=O)Nc2ccccc2)CC1 ZINC000542014363 504336494 /nfs/dbraw/zinc/33/64/94/504336494.db2.gz ITHAFRSQNXSOHC-UHFFFAOYSA-N 2 0 374.529 3.169 20 0 FGADRP C[N@H+](CCC(=O)NC1CC[NH+](CCc2ccccc2)CC1)C1CCCCC1 ZINC000548388035 504426349 /nfs/dbraw/zinc/42/63/49/504426349.db2.gz KSGNUHARIGOGRU-UHFFFAOYSA-N 2 0 371.569 3.464 20 0 FGADRP C[C@@H]1CCC[C@](CNC(=O)N2CCC[N@@H+](C(C)(C)C)CC2)([NH+](C)C)C1 ZINC000520192374 504430944 /nfs/dbraw/zinc/43/09/44/504430944.db2.gz OYCSAFZQFJMLJG-XLIONFOSSA-N 2 0 352.567 3.013 20 0 FGADRP C[NH+](C)CCOc1cccc(NC(=O)NC[C@H]2CC[N@@H+]2C2CCCCC2)c1 ZINC000528912778 504446991 /nfs/dbraw/zinc/44/69/91/504446991.db2.gz IFEWECMRKIKKGH-LJQANCHMSA-N 2 0 374.529 3.156 20 0 FGADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@H]1CCOC2(CCSCC2)C1 ZINC000542315947 504448099 /nfs/dbraw/zinc/44/80/99/504448099.db2.gz YHBLOOAIOMKAPH-KRWDZBQOSA-N 2 0 358.511 3.110 20 0 FGADRP CC[C@@H]([NH2+]CCCN1CC[N@H+](C)C[C@@H]1c1ccccc1)C1CCOCC1 ZINC000531940004 504481904 /nfs/dbraw/zinc/48/19/04/504481904.db2.gz LITBUYRIUFECNS-FGZHOGPDSA-N 2 0 359.558 3.160 20 0 FGADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)NCc1ccccc1C[NH+](C)C(C)C ZINC000520379655 504483946 /nfs/dbraw/zinc/48/39/46/504483946.db2.gz ITKZNYYNHDBCLB-HXUWFJFHSA-N 2 0 360.546 3.200 20 0 FGADRP CC[NH+](CC)CCOc1ccc(NC(=O)NCc2ccc(C[NH3+])cc2)cc1 ZINC000520406986 504491077 /nfs/dbraw/zinc/49/10/77/504491077.db2.gz YQHGHCLYTUXYCO-UHFFFAOYSA-N 2 0 370.497 3.188 20 0 FGADRP C[C@H](CCNC(=O)[C@@H]1CCCN1Cc1ccc(F)cc1)[NH+]1CCCCC1 ZINC000542454713 504495069 /nfs/dbraw/zinc/49/50/69/504495069.db2.gz MWJLLOKPZZFAPZ-XLIONFOSSA-N 2 0 361.505 3.171 20 0 FGADRP COc1ccc2oc(CNc3c[nH+]ccc3N3CC[NH+](C)CC3)cc2c1 ZINC000535715112 504516448 /nfs/dbraw/zinc/51/64/48/504516448.db2.gz HORIQHRBVXIIPF-UHFFFAOYSA-N 2 0 352.438 3.200 20 0 FGADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1 ZINC000542504585 504516879 /nfs/dbraw/zinc/51/68/79/504516879.db2.gz XTTFPCJQQSKUCB-KRWDZBQOSA-N 2 0 372.557 3.324 20 0 FGADRP C[C@H](C[C@H](C)[NH3+])NC(=O)NCc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000520577840 504532454 /nfs/dbraw/zinc/53/24/54/504532454.db2.gz DGIGSUVQOGEJMY-DLBZAZTESA-N 2 0 360.546 3.376 20 0 FGADRP CC(C)[C@@H](CNC(=O)NCc1ccccc1C[N@H+](C)C(C)C)[NH+]1CCCC1 ZINC000520614123 504540781 /nfs/dbraw/zinc/54/07/81/504540781.db2.gz SZVUNLSTQRJHSL-OAQYLSRUSA-N 2 0 374.573 3.446 20 0 FGADRP COc1ccccc1C[C@H](C)[NH2+]C[C@H](c1cccs1)N1CCN(C)CC1 ZINC000532187396 504566534 /nfs/dbraw/zinc/56/65/34/504566534.db2.gz BUWCQAIJVUKIHI-PKOBYXMFSA-N 2 0 373.566 3.266 20 0 FGADRP C[C@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1sccc1Br ZINC000532202788 504571976 /nfs/dbraw/zinc/57/19/76/504571976.db2.gz FXKKZEUDJQPRDC-LBPRGKRZSA-N 2 0 360.365 3.187 20 0 FGADRP CC[NH+](CC)Cc1cccc(CNC(=O)N2CC[C@H]([NH+]3CCCCC3)C2)c1 ZINC000520757613 504574676 /nfs/dbraw/zinc/57/46/76/504574676.db2.gz OMNAVKPMYKEOGA-NRFANRHFSA-N 2 0 372.557 3.298 20 0 FGADRP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000520782532 504580776 /nfs/dbraw/zinc/58/07/76/504580776.db2.gz SVTUTAUASGLRNM-SVFBPWRDSA-N 2 0 372.557 3.386 20 0 FGADRP CCC(CC)(CNC(=O)NCC1=CC[N@H+](C)CC1)[NH2+][C@H](C)c1ccccc1 ZINC000539474211 504583521 /nfs/dbraw/zinc/58/35/21/504583521.db2.gz IWIFKXUMPQSSDA-GOSISDBHSA-N 2 0 372.557 3.457 20 0 FGADRP c1ccc(N2CC[NH+](CCCC[NH2+][C@@H]3[C@@H]4CCO[C@@H]4C34CCC4)CC2)cc1 ZINC000539494968 504589062 /nfs/dbraw/zinc/58/90/62/504589062.db2.gz ATJZGMWAYALKJA-BDTNDASRSA-N 2 0 369.553 3.136 20 0 FGADRP CC(C)C[C@H]([NH2+][C@@H](C)c1ccc(F)cc1Cl)C(=O)NCC[NH+](C)C ZINC000539645998 504637951 /nfs/dbraw/zinc/63/79/51/504637951.db2.gz IAACPMSYXLEYKU-GUYCJALGSA-N 2 0 357.901 3.222 20 0 FGADRP CCN(C(=O)N[C@@H]1CC[NH2+]C12CCC2)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000529360031 504645270 /nfs/dbraw/zinc/64/52/70/504645270.db2.gz SCERPFHBTPVLMJ-MISYRCLQSA-N 2 0 370.541 3.138 20 0 FGADRP C[C@@H](CNC(=O)NCCCCC[NH+]1CCCCC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000521167212 504666914 /nfs/dbraw/zinc/66/69/14/504666914.db2.gz HCOICWPOUIJIML-MOPGFXCFSA-N 2 0 352.567 3.062 20 0 FGADRP Cc1cc(C[NH+](C)C)cc(NC(=O)c2ccccc2OCC[NH+](C)C)c1 ZINC000536219211 504669619 /nfs/dbraw/zinc/66/96/19/504669619.db2.gz IBYQXHRDTYUGQV-UHFFFAOYSA-N 2 0 355.482 3.249 20 0 FGADRP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)c1sccc1Br ZINC000532505483 504674397 /nfs/dbraw/zinc/67/43/97/504674397.db2.gz DKIJRVVVFHDJAL-CHWSQXEVSA-N 2 0 361.349 3.398 20 0 FGADRP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2ccc3c(c2)nnn3C)CC1 ZINC000539825903 504705336 /nfs/dbraw/zinc/70/53/36/504705336.db2.gz VYJVWDNHUHAFHI-KRWDZBQOSA-N 2 0 355.530 3.445 20 0 FGADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@@H]1CCCc2c(Br)cccc21 ZINC000543083494 504718334 /nfs/dbraw/zinc/71/83/34/504718334.db2.gz OPXRWWYWHWOUGI-KBXCAEBGSA-N 2 0 366.347 3.052 20 0 FGADRP C[C@@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)[C@@H]1C[C@H]1c1ccccc1 ZINC000521582593 504759811 /nfs/dbraw/zinc/75/98/11/504759811.db2.gz PDAAMUUOWWOFEU-WTNAPCKOSA-N 2 0 365.521 3.260 20 0 FGADRP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH2+]C[C@@H]1CCC2(CCOCC2)[C@H]1O ZINC000549261200 504776440 /nfs/dbraw/zinc/77/64/40/504776440.db2.gz JTEOQUNDJLJHJD-SFTDATJTSA-N 2 0 374.569 3.302 20 0 FGADRP O=C([C@H]1CCC[N@H+](Cc2ccccc2)C1)N1CCC[NH+](CC2CCC2)CC1 ZINC000559256185 504810806 /nfs/dbraw/zinc/81/08/06/504810806.db2.gz IZMJQDCBUNZVIT-QFIPXVFZSA-N 2 0 369.553 3.233 20 0 FGADRP O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000553048474 504813403 /nfs/dbraw/zinc/81/34/03/504813403.db2.gz MWQSWYBASSKLBD-HXUWFJFHSA-N 2 0 355.526 3.419 20 0 FGADRP [NH3+][C@H]1CCC[C@H]([NH2+]C2CCN(Cc3cccc(Br)c3)CC2)C1 ZINC000565227214 504830771 /nfs/dbraw/zinc/83/07/71/504830771.db2.gz WIUCXXUPBOKLBI-WMZOPIPTSA-N 2 0 366.347 3.273 20 0 FGADRP CCO[C@@H]1C[C@H]([NH2+][C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)[C@H]1n1cccn1 ZINC000556270138 504832558 /nfs/dbraw/zinc/83/25/58/504832558.db2.gz ZVYIWHXRMUDYMG-MIUGBVLSSA-N 2 0 368.525 3.102 20 0 FGADRP C[NH+]1CCC([C@H]2CC[N@H+](Cc3ccc(OC[C@H]4CCCO4)cc3)C2)CC1 ZINC000565356104 504863834 /nfs/dbraw/zinc/86/38/34/504863834.db2.gz TYOJBJWJYZLIDO-RBBKRZOGSA-N 2 0 358.526 3.408 20 0 FGADRP C[C@H]1C[C@H](CCNC(=O)C2CC[NH+](C3CC3)CC2)C[N@@H+]1Cc1ccccc1 ZINC000549646676 504866991 /nfs/dbraw/zinc/86/69/91/504866991.db2.gz IKVYHMFMLKXURH-ICSRJNTNSA-N 2 0 369.553 3.278 20 0 FGADRP Cn1nccc1[C@H]1CCC[C@H]([NH2+]CCc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000562615096 504880406 /nfs/dbraw/zinc/88/04/06/504880406.db2.gz CZXZZHAKPBHPHH-PMACEKPBSA-N 2 0 370.541 3.219 20 0 FGADRP COCc1cccc(OCC2(C[N@@H+]3CC[C@@]4(C3)CCC[NH+](C)C4)CC2)c1 ZINC000549840427 504912601 /nfs/dbraw/zinc/91/26/01/504912601.db2.gz XWQBTHMEZGAGFZ-NRFANRHFSA-N 2 0 358.526 3.410 20 0 FGADRP CC[NH+](CC)Cc1cccc(CNC(=O)N2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)c1 ZINC000553467805 504922424 /nfs/dbraw/zinc/92/24/24/504922424.db2.gz QCMQWJDBSHVLQX-RXVVDRJESA-N 2 0 372.557 3.297 20 0 FGADRP CCC[NH+](CCC)CCCC(=O)Nc1ncc(C2CC[NH2+]CC2)s1 ZINC000565596189 504932893 /nfs/dbraw/zinc/93/28/93/504932893.db2.gz IMAAHLVHMHEUOD-UHFFFAOYSA-N 2 0 352.548 3.451 20 0 FGADRP Cc1nc2cc(NC(=O)CC[N@@H+]3CCCC[C@@H]3C)ccc2n1[C@H](C)CO ZINC000556686530 504940193 /nfs/dbraw/zinc/94/01/93/504940193.db2.gz AWXNOHRNMOAFCC-LSDHHAIUSA-N 2 0 358.486 3.101 20 0 FGADRP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCC(C)CC2)cc1)C(C)(C)n1cncn1 ZINC000559895419 504945795 /nfs/dbraw/zinc/94/57/95/504945795.db2.gz QPYHYLYNTAGAOR-GOSISDBHSA-N 2 0 355.530 3.423 20 0 FGADRP Cc1cc(C)c(NC(=O)[C@H](C)[NH+]2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)c(C)c1 ZINC000565648666 504947872 /nfs/dbraw/zinc/94/78/72/504947872.db2.gz SRXNNHSEISZEFI-DFQSSKMNSA-N 2 0 373.541 3.157 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)N(C)[C@H](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000565683844 504957356 /nfs/dbraw/zinc/95/73/56/504957356.db2.gz ONXZIDZQPVDZGH-NQIIRXRSSA-N 2 0 374.573 3.441 20 0 FGADRP CC(C)n1cc(C[NH2+]CCc2ccc(OCC[NH+]3CCCC3)cc2)cn1 ZINC000565730543 504970827 /nfs/dbraw/zinc/97/08/27/504970827.db2.gz RXBRGJBDHXFVIG-UHFFFAOYSA-N 2 0 356.514 3.271 20 0 FGADRP C[NH+]1CCC(Oc2ccc(C[NH2+]Cc3cc(C(F)(F)F)n[nH]3)cc2)CC1 ZINC000560091392 504989416 /nfs/dbraw/zinc/98/94/16/504989416.db2.gz BQGCHYGDKOXHEX-UHFFFAOYSA-N 2 0 368.403 3.191 20 0 FGADRP O=C([C@H]1CCCC[N@@H+]1Cc1ccccc1)N1CCC[NH+](CC2CCC2)CC1 ZINC000550244591 505001304 /nfs/dbraw/zinc/00/13/04/505001304.db2.gz KQYHAACJDSKOSK-JOCHJYFZSA-N 2 0 369.553 3.376 20 0 FGADRP COCC[N@H+](C)CCCN[C@@H]1CCCC[C@@H]2C[NH+](Cc3ccccc3)C[C@H]21 ZINC000556874129 505002097 /nfs/dbraw/zinc/00/20/97/505002097.db2.gz WMRFDQJEDAQCHY-DNVJHFABSA-N 2 0 373.585 3.235 20 0 FGADRP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]C[C@@]2(O)CCCC2(C)C)CC1 ZINC000550257206 505004119 /nfs/dbraw/zinc/00/41/19/505004119.db2.gz VNSRYQWDDXNHMS-FQEVSTJZSA-N 2 0 365.949 3.123 20 0 FGADRP C[C@@H]([NH2+]CCc1ccc(OCC[N@@H+]2C[C@H](C)[C@H](C)C2)cc1)c1ncc[nH]1 ZINC000556886894 505006684 /nfs/dbraw/zinc/00/66/84/505006684.db2.gz PUONXEXFERFYTF-FGTMMUONSA-N 2 0 356.514 3.270 20 0 FGADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N1C[C@@H]([NH+]2CCCC2)C[C@@H]1C ZINC000553777734 505007123 /nfs/dbraw/zinc/00/71/23/505007123.db2.gz HFBDFWOEKSGTIA-RXVVDRJESA-N 2 0 372.557 3.295 20 0 FGADRP [NH3+][C@H]1CCO[C@@H](C2CC[NH+](Cc3c[nH]nc3-c3cccc(Cl)c3)CC2)C1 ZINC000556963817 505032811 /nfs/dbraw/zinc/03/28/11/505032811.db2.gz JSAJSXNKZDELBN-RBUKOAKNSA-N 2 0 374.916 3.448 20 0 FGADRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)Nc2ccc3c(c2F)CC[NH2+]C3)C1 ZINC000557038905 505050055 /nfs/dbraw/zinc/05/00/55/505050055.db2.gz OSLFCTQIUXBWLD-CQSZACIVSA-N 2 0 362.493 3.103 20 0 FGADRP CCc1cccc(CC)c1NC(=O)[C@@H](C)[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000563149794 505060888 /nfs/dbraw/zinc/06/08/88/505060888.db2.gz JCCQPVGLQYDFJP-OXQOHEQNSA-N 2 0 357.542 3.460 20 0 FGADRP CCC[N@H+](CC)Cc1ccc(C(=O)Nc2cnc3c(c2)C[C@@H]([NH3+])CC3)cc1 ZINC000563211202 505077113 /nfs/dbraw/zinc/07/71/13/505077113.db2.gz QCUGLFOCOSNWHZ-IBGZPJMESA-N 2 0 366.509 3.382 20 0 FGADRP C[N@@H+]1CCC[C@H](CNC(=O)c2ccc3c[nH+]cn3c2)[C@@H]1c1cccs1 ZINC000550665144 505082023 /nfs/dbraw/zinc/08/20/23/505082023.db2.gz DVPQKVSIINVRHI-RDTXWAMCSA-N 2 0 354.479 3.209 20 0 FGADRP CCc1ccc([C@H](CNC(=O)N[C@H]2C[C@H](C)n3ccnc32)[NH+](C)C)cc1 ZINC000560492808 505103463 /nfs/dbraw/zinc/10/34/63/505103463.db2.gz UEZXURKSBRTIPR-WBAXXEDZSA-N 2 0 355.486 3.053 20 0 FGADRP C[C@H](C[NH2+][C@@H](c1cccc(OC(F)(F)F)c1)C1CC1)N1CC[NH+](C)CC1 ZINC000560530417 505116212 /nfs/dbraw/zinc/11/62/12/505116212.db2.gz MOYINTNXBMTQRS-RDTXWAMCSA-N 2 0 371.447 3.262 20 0 FGADRP CCC[NH+]1CCN(c2ccccc2C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)CC1 ZINC000566225811 505118301 /nfs/dbraw/zinc/11/83/01/505118301.db2.gz ODXKZWPRTWKKCT-QFIPXVFZSA-N 3 0 370.585 3.183 20 0 FGADRP C[C@@H]([NH2+]CC1CC[NH2+]CC1)c1nc(-c2ccc(Br)cc2)no1 ZINC000566229551 505118848 /nfs/dbraw/zinc/11/88/48/505118848.db2.gz GNTZFQYVKDHCHN-LLVKDONJSA-N 2 0 365.275 3.149 20 0 FGADRP Cc1ccc(-c2noc(CCC[N@@H+]3CC[C@@]4(C3)CCC[NH2+]C4)n2)cc1F ZINC000566242601 505121815 /nfs/dbraw/zinc/12/18/15/505121815.db2.gz CXTSZMDGOVDCHN-FQEVSTJZSA-N 2 0 358.461 3.192 20 0 FGADRP C[NH2+][C@H](CC(C)(C)C)C(=O)N[C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000566299184 505138045 /nfs/dbraw/zinc/13/80/45/505138045.db2.gz UHKBVUFLEAHURC-BWPNAZKDSA-N 2 0 359.558 3.283 20 0 FGADRP CC[NH+](CC)Cc1cccc(CNC(=O)Nc2cccc3c2CC[NH2+]C3)c1 ZINC000563499118 505157273 /nfs/dbraw/zinc/15/72/73/505157273.db2.gz MXCGGLWMYKTYHG-UHFFFAOYSA-N 2 0 366.509 3.496 20 0 FGADRP COCC[NH+]1CCC(NC[C@H](c2ccc(CC(C)C)cc2)[NH+](C)C)CC1 ZINC000554404397 505166467 /nfs/dbraw/zinc/16/64/67/505166467.db2.gz WUMMVIFYCROIKG-JOCHJYFZSA-N 2 0 361.574 3.188 20 0 FGADRP CC(C)C[C@@H](C)[NH+]1CCC(C(=O)NCC[N@H+](C)Cc2ccccc2)CC1 ZINC000560729546 505172090 /nfs/dbraw/zinc/17/20/90/505172090.db2.gz GLLSSRGESBUKRP-LJQANCHMSA-N 2 0 359.558 3.381 20 0 FGADRP Cc1ncncc1[C@H](C)[NH2+]CCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000563548708 505173431 /nfs/dbraw/zinc/17/34/31/505173431.db2.gz KCTIGSMWMMLQCD-SFHVURJKSA-N 2 0 353.514 3.038 20 0 FGADRP C[C@H](NC(=O)NC[C@H](c1ccccc1)[NH+](C)C)[C@H](c1ccccc1)[NH+](C)C ZINC000554449841 505176333 /nfs/dbraw/zinc/17/63/33/505176333.db2.gz PVBUOHLBPOEHJW-IOMROCGXSA-N 2 0 368.525 3.280 20 0 FGADRP CC[C@H](C[NH2+][C@@H]1CC[C@@H](C)C[C@H]1n1cncn1)N1CCc2ccccc2C1 ZINC000551267746 505189485 /nfs/dbraw/zinc/18/94/85/505189485.db2.gz VNMAOCFDNVUVSR-BRKWEVRTSA-N 2 0 367.541 3.434 20 0 FGADRP CC(C)[C@]1(CO)CCC[NH+]([C@H](C)CC[N@H+]2CCC[C@@](CO)(C(C)C)C2)C1 ZINC000561070194 505242705 /nfs/dbraw/zinc/24/27/05/505242705.db2.gz NEPSHCSPLDLBCQ-YPAWHYETSA-N 2 0 368.606 3.226 20 0 FGADRP C[C@@H]1CN(C(=O)[C@@H]2CCCC[NH+]2Cc2ccccc2)CC[N@@H+](C2CCC2)C1 ZINC000557837737 505243341 /nfs/dbraw/zinc/24/33/41/505243341.db2.gz WPVIWTXDCUFJAH-UGKGYDQZSA-N 2 0 369.553 3.374 20 0 FGADRP COC(=O)c1cc(C[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H](C)C2)cn1C ZINC000554858688 505282715 /nfs/dbraw/zinc/28/27/15/505282715.db2.gz UJEBBXGJOFKHBN-KRWDZBQOSA-N 2 0 369.509 3.333 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1coc2ccc(F)cc12 ZINC000566857024 505292431 /nfs/dbraw/zinc/29/24/31/505292431.db2.gz NBMZZOYPOGEGFM-MRXNPFEDSA-N 2 0 361.461 3.060 20 0 FGADRP CC1=CC[NH+](CCNC(=O)NC[C@H]2CCC[N@@H+](C)[C@@H]2c2ccccc2)CC1 ZINC000563985703 505294762 /nfs/dbraw/zinc/29/47/62/505294762.db2.gz BHHPKNLQODYEEC-NHCUHLMSSA-N 2 0 370.541 3.021 20 0 FGADRP Cn1ccnc1[C@@H](NC(=O)NCC[NH+]1CCC2(CCCCC2)CC1)C1CC1 ZINC000558050611 505296364 /nfs/dbraw/zinc/29/63/64/505296364.db2.gz MXWREFTVEJFDQN-SFHVURJKSA-N 2 0 373.545 3.217 20 0 FGADRP C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](Cc3ccccc3)C2)[C@H]1c1ccccc1 ZINC000561309542 505311121 /nfs/dbraw/zinc/31/11/21/505311121.db2.gz NOEQJZYPYRCIIV-BHIFYINESA-N 2 0 363.505 3.070 20 0 FGADRP Cn1c(NCc2ccc(OC3CC[NH+](C)CC3)cc2)nc2cccc(F)c21 ZINC000561350783 505322525 /nfs/dbraw/zinc/32/25/25/505322525.db2.gz JLYSKUASHMTEAH-UHFFFAOYSA-N 2 0 368.456 3.219 20 0 FGADRP C[C@@H](CCc1n[nH]c2ccccc12)[NH2+]Cc1ccncc1OCC[NH+](C)C ZINC000564152687 505339008 /nfs/dbraw/zinc/33/90/08/505339008.db2.gz QTVLRLCLWZPUAG-INIZCTEOSA-N 2 0 367.497 3.009 20 0 FGADRP CC(C)[N@H+](C)CC1CC[NH+]([C@H](C)C(=O)N2c3ccccc3C[C@H]2C)CC1 ZINC000551908427 505339637 /nfs/dbraw/zinc/33/96/37/505339637.db2.gz QTFLQYQFLCJECR-QZTJIDSGSA-N 2 0 357.542 3.405 20 0 FGADRP CC[C@@H]([NH2+]Cc1cncc(C[NH2+][C@@H](CC)[C@H]2CCCO2)c1)[C@@H]1CCCO1 ZINC000564168762 505343515 /nfs/dbraw/zinc/34/35/15/505343515.db2.gz QVXHLEVGJADCFH-UJOPUZHASA-N 2 0 361.530 3.176 20 0 FGADRP C[N@@H+]1CC[C@H]([NH2+]CC2(N3CCSCC3)CCCCC2)[C@@H]2CCC[C@H]21 ZINC000552043958 505380532 /nfs/dbraw/zinc/38/05/32/505380532.db2.gz IERNONIFXQDNEQ-GBESFXJTSA-N 2 0 351.604 3.201 20 0 FGADRP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N[C@@H](C)C[NH+](C)C(C)C ZINC000564315660 505381321 /nfs/dbraw/zinc/38/13/21/505381321.db2.gz PYFNXCQFCJUCEJ-PZJWPPBQSA-N 2 0 374.573 3.269 20 0 FGADRP CCOc1c(OC)cc(C[NH2+]CC2(SC)CC[NH+](C)CC2)cc1OC ZINC000564419029 505414776 /nfs/dbraw/zinc/41/47/76/505414776.db2.gz IXMLYAWGGUJTBD-UHFFFAOYSA-N 2 0 368.543 3.020 20 0 FGADRP O=C(NCC1CC[NH+](Cc2cccs2)CC1)Nc1ccn2ccnc2c1 ZINC000564433217 505418329 /nfs/dbraw/zinc/41/83/29/505418329.db2.gz WDTVQKJLNZPTMO-UHFFFAOYSA-N 2 0 369.494 3.430 20 0 FGADRP CC[C@H](C(=O)N1CCC[C@H]1C[NH+]1CCCCC1)[N@H+](C)Cc1ccccc1 ZINC000564447595 505422297 /nfs/dbraw/zinc/42/22/97/505422297.db2.gz IZNMDYUWFRPTGD-LEWJYISDSA-N 2 0 357.542 3.374 20 0 FGADRP CC[N@H+](C)Cc1cccc(C[NH2+]C2CCN(Cc3ccccn3)CC2)c1 ZINC000555419821 505428638 /nfs/dbraw/zinc/42/86/38/505428638.db2.gz HQQXACDHWZVABU-UHFFFAOYSA-N 2 0 352.526 3.288 20 0 FGADRP C[C@H]1CCCC[N@@H+]1CCC(=O)N1CCC[NH+](CCCc2ccccc2)CC1 ZINC000555548751 505454194 /nfs/dbraw/zinc/45/41/94/505454194.db2.gz MGEOMQCAOWXJKY-NRFANRHFSA-N 2 0 371.569 3.418 20 0 FGADRP C[C@@H]([NH2+][C@@H](C)C(=O)N1CCCC[C@H]1C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000561953248 505477000 /nfs/dbraw/zinc/47/70/00/505477000.db2.gz NHJNDDCAMNWKJA-BNDYYXHWSA-N 2 0 357.542 3.276 20 0 FGADRP C[C@@H]([NH2+][C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)c1cccc2ccccc21 ZINC000567604318 505511868 /nfs/dbraw/zinc/51/18/68/505511868.db2.gz OVEXLUPKKUXRKG-QPJICYPMSA-N 2 0 351.494 3.137 20 0 FGADRP COc1ccc(Cl)cc1NC(=O)CCN1CCCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000564787851 505520068 /nfs/dbraw/zinc/52/00/68/505520068.db2.gz JZFOUJPTIYBTCO-WBVHZDCISA-N 2 0 365.905 3.284 20 0 FGADRP COc1cccc(CC[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c1OC ZINC000567641635 505522745 /nfs/dbraw/zinc/52/27/45/505522745.db2.gz YWUKOXMZDIPVOM-XMSQKQJNSA-N 2 0 368.477 3.092 20 0 FGADRP Cc1ccccc1[C@H]([C@@H](C)NC(=O)NC[C@@H]1CC[N@@H+](C(C)C)C1)[NH+](C)C ZINC000562138647 505526895 /nfs/dbraw/zinc/52/68/95/505526895.db2.gz FFWMZPJBPZWXKP-HBFSDRIKSA-N 2 0 360.546 3.016 20 0 FGADRP CCC[N@H+](C)[C@H](CNC(=O)[C@@H]1CCC[NH+]1C1CC1)c1ccc(Cl)cc1 ZINC000552671113 505530838 /nfs/dbraw/zinc/53/08/38/505530838.db2.gz LUFYETKRURJIBS-RBUKOAKNSA-N 2 0 363.933 3.466 20 0 FGADRP CC(C)[NH+]1CCC(C(=O)N[C@H](C[NH+](C)C)c2ccc(Cl)cc2)CC1 ZINC000558971028 505542173 /nfs/dbraw/zinc/54/21/73/505542173.db2.gz ADSNJSDOZUWCAW-GOSISDBHSA-N 2 0 351.922 3.179 20 0 FGADRP C[NH+](C)[C@H]1CCc2cc(NC[C@H](O)C[N@@H+]3CCc4ccccc4C3)ccc21 ZINC000567706552 505544411 /nfs/dbraw/zinc/54/44/11/505544411.db2.gz WBHUBIHCDFRIKX-GMAHTHKFSA-N 2 0 365.521 3.067 20 0 FGADRP [NH3+][C@H](CC1CCCCC1)C(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000567802133 505564518 /nfs/dbraw/zinc/56/45/18/505564518.db2.gz AVYVCXVIGYKWFH-OAQYLSRUSA-N 2 0 373.541 3.075 20 0 FGADRP C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000567817474 505565695 /nfs/dbraw/zinc/56/56/95/505565695.db2.gz SKCSHRKZTFGFRS-VXKWHMMOSA-N 2 0 363.505 3.000 20 0 FGADRP C[NH+]1CCN(c2cc[nH+]cc2NC2CC(c3cc(F)cc(F)c3)C2)CC1 ZINC000582752415 506396964 /nfs/dbraw/zinc/39/69/64/506396964.db2.gz SXENOPWNJWMCOW-UHFFFAOYSA-N 2 0 358.436 3.470 20 0 FGADRP CC[C@H](C)[N@H+](C)CCNC(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000589203518 506483755 /nfs/dbraw/zinc/48/37/55/506483755.db2.gz LYHSHWROLGIMBJ-SFHVURJKSA-N 2 0 360.546 3.202 20 0 FGADRP C[NH+](C)CCCOc1ccc(NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1 ZINC000608301995 506499085 /nfs/dbraw/zinc/49/90/85/506499085.db2.gz BZKHLQOYPQXWGQ-YQQQUEKLSA-N 2 0 374.529 3.154 20 0 FGADRP C[C@@H]1C[C@H]([NH3+])CCN1C(=O)c1cccc(C[N@H+](C)Cc2ccccc2)c1 ZINC000582972056 506517252 /nfs/dbraw/zinc/51/72/52/506517252.db2.gz CEQGPLHYQQVOGQ-DYESRHJHSA-N 2 0 351.494 3.270 20 0 FGADRP COc1cc(C)c(C[C@H](C)[NH2+]CC2(SC)CC[NH+](C)CC2)cc1OC ZINC000589349437 506525668 /nfs/dbraw/zinc/52/56/68/506525668.db2.gz VJUPSJGZXRXHBZ-INIZCTEOSA-N 2 0 366.571 3.360 20 0 FGADRP C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)C[N@H+](C)C3CCC3)cc2)C1 ZINC000608500658 506589324 /nfs/dbraw/zinc/58/93/24/506589324.db2.gz QGKVMERACPHEFG-ROUUACIJSA-N 2 0 357.542 3.265 20 0 FGADRP C[NH+](C)CC[C@@H](NC(=O)N1CC[C@@H]([N@H+](C)Cc2ccccc2)C1)C(C)(C)C ZINC000608688416 506665360 /nfs/dbraw/zinc/66/53/60/506665360.db2.gz IZSXOWCBIOPRFL-WOJBJXKFSA-N 2 0 374.573 3.269 20 0 FGADRP CCc1ccc([C@H](C)C(=O)N(CC[NH+](C)C)C[C@@H]2CCC[N@H+]2CC)cc1 ZINC000589947526 506685116 /nfs/dbraw/zinc/68/51/16/506685116.db2.gz KMJHRDQACDBTIE-RXVVDRJESA-N 2 0 359.558 3.227 20 0 FGADRP CC[C@@H](C)[N@H+](C)CCNC(=O)N[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000604189278 506743808 /nfs/dbraw/zinc/74/38/08/506743808.db2.gz XNQVDVMIHDWUHH-UYAOXDASSA-N 2 0 360.546 3.243 20 0 FGADRP CCCC[N@H+](C)CCNC(=O)N[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000604199990 506748831 /nfs/dbraw/zinc/74/88/31/506748831.db2.gz UIGRTNHVMIMYOD-HXUWFJFHSA-N 2 0 360.546 3.245 20 0 FGADRP C[NH+](C)[C@H](CNC(=O)N1CCC[C@H]1C[NH+]1CCCCC1)C1CCCCC1 ZINC000590147579 506749794 /nfs/dbraw/zinc/74/97/94/506749794.db2.gz VYCZCHPHMFGOIE-VQTJNVASSA-N 2 0 364.578 3.157 20 0 FGADRP O=C(NCc1cccc(C[NH+]2CCCCCC2)c1)N[C@H]1CC12CC[NH2+]CC2 ZINC000612970710 506845120 /nfs/dbraw/zinc/84/51/20/506845120.db2.gz LHWULXUILDGWIY-FQEVSTJZSA-N 2 0 370.541 3.004 20 0 FGADRP CCC(CC)(CNC(=O)N[C@H]1CC12CC[NH2+]CC2)[NH2+][C@H](C)c1ccccc1 ZINC000612971392 506845591 /nfs/dbraw/zinc/84/55/91/506845591.db2.gz OKPVSWGKTKZWNW-MJGOQNOKSA-N 2 0 372.557 3.337 20 0 FGADRP COC(=O)c1ccc(C[NH2+]CC2CC[NH+](CC3CC3)CC2)cc1Cl ZINC000597248446 506858871 /nfs/dbraw/zinc/85/88/71/506858871.db2.gz WAKKJDGGIHPCKS-UHFFFAOYSA-N 2 0 350.890 3.338 20 0 FGADRP COC(=O)c1ccc(Cl)c(CNC[C@@H]2CCC[N@H+](CC3CC3)C2)c1 ZINC000597255327 506864176 /nfs/dbraw/zinc/86/41/76/506864176.db2.gz HYOFCYJBUZXXNT-HNNXBMFYSA-N 2 0 350.890 3.338 20 0 FGADRP C[NH+](C)CC[C@@H](NC(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C)C(C)(C)C ZINC000604788243 506943143 /nfs/dbraw/zinc/94/31/43/506943143.db2.gz NMACIIUARKTPHW-QZTJIDSGSA-N 2 0 366.525 3.094 20 0 FGADRP CC1CCC([NH+]2CCN(C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)CC2)CC1 ZINC000604786512 506943210 /nfs/dbraw/zinc/94/32/10/506943210.db2.gz KZRYCMOKZLUFSM-CTWPCTMYSA-N 2 0 366.594 3.259 20 0 FGADRP O=C(Nc1ccc2c(c1)C[NH2+]C2)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000583741415 506946485 /nfs/dbraw/zinc/94/64/85/506946485.db2.gz YPSDHRAWCWTXRY-UHFFFAOYSA-N 2 0 368.456 3.215 20 0 FGADRP CC(C)[N@H+](C)CC1CC[NH+]([C@@H](C)C(=O)NC[C@@H](C)c2ccccc2)CC1 ZINC000590786509 506955429 /nfs/dbraw/zinc/95/54/29/506955429.db2.gz FMRODTYNCWIIPJ-MOPGFXCFSA-N 2 0 359.558 3.347 20 0 FGADRP CC(C)[N@H+](C)CC1CC[NH+](CC(=O)N2c3ccccc3CC[C@@H]2C)CC1 ZINC000590787017 506957855 /nfs/dbraw/zinc/95/78/55/506957855.db2.gz QPGHUPIUHZBUAO-SFHVURJKSA-N 2 0 357.542 3.407 20 0 FGADRP O=C(NCc1ccc(C[NH+]2CCCC2)cc1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000594290144 507065144 /nfs/dbraw/zinc/06/51/44/507065144.db2.gz ROSYUFYWISPXAT-NRFANRHFSA-N 2 0 370.541 3.052 20 0 FGADRP CC[NH+](CC)CCSCC(=O)N1CCC2(CCC([NH+](C)C)CC2)CC1 ZINC000597703469 507067015 /nfs/dbraw/zinc/06/70/15/507067015.db2.gz GXGPWIXOAOZJIL-UHFFFAOYSA-N 2 0 369.619 3.174 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)NCC[N@H+]1[C@H](C)CCC[C@@H]1C)c1ccco1 ZINC000594296375 507068632 /nfs/dbraw/zinc/06/86/32/507068632.db2.gz RVMFUDQOEKFBNZ-FGTMMUONSA-N 2 0 364.534 3.225 20 0 FGADRP C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)NC[C@@H]2CCC[C@H]([NH3+])C2)C1 ZINC000584042153 507118904 /nfs/dbraw/zinc/11/89/04/507118904.db2.gz DQFPGWFDSKBDRI-OPYAIIAOSA-N 2 0 372.557 3.235 20 0 FGADRP C[C@H](CNC(=O)N1CCN(Cc2ccccc2)C[C@H]1C)[N@@H+]1CCCC[C@H]1C ZINC000600843738 507144662 /nfs/dbraw/zinc/14/46/62/507144662.db2.gz CANOKINFZPXUER-VAMGGRTRSA-N 2 0 372.557 3.165 20 0 FGADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000605374243 507164414 /nfs/dbraw/zinc/16/44/14/507164414.db2.gz SQXAHKKCIFZTBS-ICSRJNTNSA-N 2 0 361.505 3.028 20 0 FGADRP CC(C)[NH+]1CCN([C@@H]2CCN(Cc3ccc(C(F)(F)F)s3)C2)CC1 ZINC000584209669 507212905 /nfs/dbraw/zinc/21/29/05/507212905.db2.gz SPBVPFKBUMCWLX-CQSZACIVSA-N 2 0 361.477 3.367 20 0 FGADRP Cc1ccc([C@H](CNC(=O)NC[C@@H](C(C)C)[NH+]2CCCC2)[NH+](C)C)cc1 ZINC000591579245 507301878 /nfs/dbraw/zinc/30/18/78/507301878.db2.gz GFGMXKAKTIFHQK-PMACEKPBSA-N 2 0 360.546 3.017 20 0 FGADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)c1ccc(C[NH+](C)C)nc1)c1ccccc1 ZINC000584364237 507303865 /nfs/dbraw/zinc/30/38/65/507303865.db2.gz VALSYOUYKULYOF-MRXNPFEDSA-N 2 0 354.498 3.002 20 0 FGADRP CCCC[N@H+](C)CC1CCN(C(=O)NCC[NH+]2CCCC[C@@H]2CC)CC1 ZINC000605988037 507319700 /nfs/dbraw/zinc/31/97/00/507319700.db2.gz JYKIADXACFPJSY-FQEVSTJZSA-N 2 0 366.594 3.404 20 0 FGADRP CC(C)C[C@@H](CNC(=O)NCC1CC[NH2+]CC1)[NH2+][C@H](C)c1ccccc1 ZINC000584400265 507324253 /nfs/dbraw/zinc/32/42/53/507324253.db2.gz QCHHONFHDVOWAB-XLIONFOSSA-N 2 0 360.546 3.051 20 0 FGADRP C[C@@H](CNC(=O)NCC[N@H+](C)C1CCCCC1)[NH+](C)Cc1ccccc1 ZINC000601296288 507326127 /nfs/dbraw/zinc/32/61/27/507326127.db2.gz IZQZKHYJTSBMRE-SFHVURJKSA-N 2 0 360.546 3.071 20 0 FGADRP C[C@H](CSCCF)[NH2+]CCCN1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000595007474 507352094 /nfs/dbraw/zinc/35/20/94/507352094.db2.gz OECPRKLYLZSMFM-IEBWSBKVSA-N 2 0 353.551 3.046 20 0 FGADRP C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCc3ccc(I)cc32)C1 ZINC000595015365 507355659 /nfs/dbraw/zinc/35/56/59/507355659.db2.gz CQTTUJQKKRONGT-MLGOLLRUSA-N 2 0 370.278 3.210 20 0 FGADRP CC[NH+]1CCC(NC(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000606623232 507455603 /nfs/dbraw/zinc/45/56/03/507455603.db2.gz DKYCXPINIZYREW-RXVVDRJESA-N 2 0 372.557 3.165 20 0 FGADRP C[NH+](C)CCN(CC1CCCCC1)C(=O)NCCC[NH+]1CCCCC1 ZINC000606626208 507457084 /nfs/dbraw/zinc/45/70/84/507457084.db2.gz BLTNBKNWKCEJCL-UHFFFAOYSA-N 2 0 352.567 3.016 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N[C@@H](C)C1CC[NH+](C)CC1)c1ccsc1 ZINC000606638006 507461364 /nfs/dbraw/zinc/46/13/64/507461364.db2.gz NXZIOZVSGXVJSL-MAUKXSAKSA-N 2 0 366.575 3.161 20 0 FGADRP C[C@H](NC(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000606660222 507471681 /nfs/dbraw/zinc/47/16/81/507471681.db2.gz YEPXZIVGPJFHGM-GHTZIAJQSA-N 2 0 372.557 3.071 20 0 FGADRP C[C@H](NC(=O)N1CCC[N@H+](CC2CCCCC2)CC1)C1CC[NH+](C)CC1 ZINC000606702066 507488069 /nfs/dbraw/zinc/48/80/69/507488069.db2.gz PFPMLCAEIVBDMF-SFHVURJKSA-N 2 0 364.578 3.014 20 0 FGADRP C[N@H+](C[C@H](O)Cn1c2ccccc2c2ccccc21)C[C@H]1CCC[NH+](C)C1 ZINC000607358489 507698860 /nfs/dbraw/zinc/69/88/60/507698860.db2.gz NLKBPERSSBANLM-OALUTQOASA-N 2 0 365.521 3.429 20 0 FGADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000595825545 507702223 /nfs/dbraw/zinc/70/22/23/507702223.db2.gz DNHXYHNVACRNDK-HXUWFJFHSA-N 2 0 364.578 3.158 20 0 FGADRP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000595825543 507702331 /nfs/dbraw/zinc/70/23/31/507702331.db2.gz DNHXYHNVACRNDK-FQEVSTJZSA-N 2 0 364.578 3.158 20 0 FGADRP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)N(CC[NH+](C)C)Cc1ccccc1 ZINC000595826146 507702905 /nfs/dbraw/zinc/70/29/05/507702905.db2.gz WWGFFUFQHFZVTM-NRFANRHFSA-N 2 0 374.573 3.414 20 0 FGADRP COC(=O)c1cc2cc(C[N@@H+]3CCC[C@@H](C4CC[NH2+]CC4)C3)ccc2o1 ZINC000595901495 507733627 /nfs/dbraw/zinc/73/36/27/507733627.db2.gz XGAVAWMAIRMKGT-QGZVFWFLSA-N 2 0 356.466 3.431 20 0 FGADRP CC[N@H+](CCC1CC[NH+](CCC(=O)Nc2cc(C)on2)CC1)CC(C)C ZINC000539098875 517910300 /nfs/dbraw/zinc/91/03/00/517910300.db2.gz NCEWQQFIKADKNV-UHFFFAOYSA-N 2 0 364.534 3.392 20 0 FGADRP Cc1ccc(F)c(NC(=O)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)c1 ZINC000623068892 568159259 /nfs/dbraw/zinc/15/92/59/568159259.db2.gz NWVJEZNIZJUCEE-UHFFFAOYSA-N 2 0 370.472 3.249 20 0 FGADRP CCC1([NH+](C)C)CCN(C(=O)N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)CC1 ZINC000637033778 568314178 /nfs/dbraw/zinc/31/41/78/568314178.db2.gz LYYWVVMTZRAWLX-QZTJIDSGSA-N 2 0 364.578 3.155 20 0 FGADRP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N1CC[NH+](Cc2ccccc2)CC[C@H]1C ZINC000643257921 568417018 /nfs/dbraw/zinc/41/70/18/568417018.db2.gz FQJKZTPSJBVVDM-RTBURBONSA-N 2 0 360.546 3.021 20 0 FGADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2C)C1 ZINC000779054537 724385217 /nfs/dbraw/zinc/38/52/17/724385217.db2.gz PZIOUIUIJNMXGZ-FGTMMUONSA-N 2 0 353.551 3.342 20 0 FGADRP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2ccccc2-c2nn[nH]n2)CC1 ZINC000820703719 606915186 /nfs/dbraw/zinc/91/51/86/606915186.db2.gz JVGGTDUXCFDJEU-KRWDZBQOSA-N 2 0 368.529 3.343 20 0 FGADRP CCC[N@H+](C)C[C@@H]1CC[NH+](CC2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000081571753 700337696 /nfs/dbraw/zinc/33/76/96/700337696.db2.gz OEYSXLABUXXKRE-SFHVURJKSA-N 2 0 353.551 3.297 20 0 FGADRP CC[NH+]1CCN(Cc2ccccc2C[NH2+][C@H](C)c2cnc(C)s2)CC1 ZINC000090403151 700402481 /nfs/dbraw/zinc/40/24/81/700402481.db2.gz MOLWVQINCLAEHJ-MRXNPFEDSA-N 2 0 358.555 3.440 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](CCCNC(=O)C(F)(F)F)CC1 ZINC000091592784 700422362 /nfs/dbraw/zinc/42/23/62/700422362.db2.gz PWSQBUGXARHLRK-OAHLLOKOSA-N 2 0 363.468 3.032 20 0 FGADRP C[C@@H](CNCc1csc(-c2ccc3c(c2)OCO3)n1)C[NH+]1CCCC1 ZINC000103169991 700482531 /nfs/dbraw/zinc/48/25/31/700482531.db2.gz XAGYTVPTKPPLIZ-AWEZNQCLSA-N 2 0 359.495 3.360 20 0 FGADRP C[C@H]([NH2+][C@H]1CCN(c2ccccc2OC(F)F)C1)C1CC[NH+](C)CC1 ZINC000128063362 700770337 /nfs/dbraw/zinc/77/03/37/700770337.db2.gz DAJNDULXDZITAE-HOCLYGCPSA-N 2 0 353.457 3.187 20 0 FGADRP CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]([NH2+]C2CC[NH+](CC3CC3)CC2)C1 ZINC000130229445 700798363 /nfs/dbraw/zinc/79/83/63/700798363.db2.gz BJYRCLDEHZURCX-ZWKOTPCHSA-N 2 0 351.535 3.286 20 0 FGADRP CN1CC[NH+](CCCC[NH2+][C@@H]2CCc3cc(Br)ccc32)CC1 ZINC000154351043 705031943 /nfs/dbraw/zinc/03/19/43/705031943.db2.gz FHZPFGUIKPYQPE-GOSISDBHSA-N 2 0 366.347 3.054 20 0 FGADRP C[NH+](C)C1(C(=O)NC[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)CCC1 ZINC000155607527 705084912 /nfs/dbraw/zinc/08/49/12/705084912.db2.gz PUNCLDIGPLVPIF-YOEHRIQHSA-N 2 0 367.896 3.072 20 0 FGADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H]2CCSc3c(Cl)cccc32)CC1 ZINC000155727862 705089142 /nfs/dbraw/zinc/08/91/42/705089142.db2.gz ANFNZZJMHBVUMM-RHSMWYFYSA-N 2 0 353.963 3.493 20 0 FGADRP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H](C)CSC(C)(C)C)cn2)CC1 ZINC000159503811 705226081 /nfs/dbraw/zinc/22/60/81/705226081.db2.gz QULOQBOTISIXOS-INIZCTEOSA-N 2 0 350.576 3.233 20 0 FGADRP C[C@H](CC(=O)Nc1cccnc1Cl)[NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000159592762 705228278 /nfs/dbraw/zinc/22/82/78/705228278.db2.gz OZCDMCLBGLOULH-GFCCVEGCSA-N 2 0 352.910 3.351 20 0 FGADRP CC(C)[NH+]1CCC([NH2+][C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)CC1 ZINC000167909986 705348557 /nfs/dbraw/zinc/34/85/57/705348557.db2.gz WAZMQQFFOIKPAP-LJQANCHMSA-N 2 0 365.949 3.472 20 0 FGADRP CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000173340149 705455166 /nfs/dbraw/zinc/45/51/66/705455166.db2.gz QYBKHXODXIABOV-XYJFISCASA-N 2 0 351.535 3.144 20 0 FGADRP COc1cc(Br)c(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)cc1OC ZINC000261969948 713716372 /nfs/dbraw/zinc/71/63/72/713716372.db2.gz ICCKKJGGUOCAOA-UHFFFAOYSA-N 2 0 369.303 3.042 20 0 FGADRP CC[NH+]1CCC(C[NH2+][C@@H](C)C[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC000310511934 713799276 /nfs/dbraw/zinc/79/92/76/713799276.db2.gz OPNJJXTZVCCOEL-WMZOPIPTSA-N 2 0 353.551 3.486 20 0 FGADRP C[C@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)c1ccc(F)cc1Br ZINC000318467703 713809107 /nfs/dbraw/zinc/80/91/07/713809107.db2.gz HHHVGBPUQNXXOK-ZDUSSCGKSA-N 2 0 372.326 3.265 20 0 FGADRP CC[NH+]1CCC(CCNC(=O)N(C)CCCC[NH+]2CCCCC2)CC1 ZINC000641808412 717931025 /nfs/dbraw/zinc/93/10/25/717931025.db2.gz NQKLZHRYHNQIAT-UHFFFAOYSA-N 2 0 352.567 3.016 20 0 FGADRP Cc1nn2c(C[NH+]3CCC4(C[C@@H]4C[N@@H+](C)C4CC4)CC3)c(C)nc2s1 ZINC000374285046 713910466 /nfs/dbraw/zinc/91/04/66/713910466.db2.gz XJUONYPGQPWREZ-OAHLLOKOSA-N 2 0 359.543 3.104 20 0 FGADRP C[N@@H+]1CCC[C@H](CNC(=O)C[C@@H]([NH3+])c2ccccc2)[C@H]1c1cccs1 ZINC000374412039 713920719 /nfs/dbraw/zinc/92/07/19/713920719.db2.gz PIKGCQYPVUWSAT-HLIPFELVSA-N 2 0 357.523 3.337 20 0 FGADRP CC(C)[NH+]1CCC([NH2+]C[C@@]2(C)CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000378937046 713975212 /nfs/dbraw/zinc/97/52/12/713975212.db2.gz FSWVYEIDPZVGPN-HXUWFJFHSA-N 2 0 353.551 3.486 20 0 FGADRP C[C@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)c1ccc(Br)cc1F ZINC000387560926 713986379 /nfs/dbraw/zinc/98/63/79/713986379.db2.gz GNGDZJZMIUZAIQ-ZDUSSCGKSA-N 2 0 372.326 3.265 20 0 FGADRP C[C@@H]([NH2+]C[C@H](O)COc1ccc(Cl)c(Cl)c1)C1CC[NH+](C)CC1 ZINC000396472723 713991363 /nfs/dbraw/zinc/99/13/63/713991363.db2.gz YSFHARUMYMVKQS-OCCSQVGLSA-N 2 0 361.313 3.053 20 0 FGADRP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@@H]2CCCC(F)(F)[C@H]2O)CC1 ZINC000414310185 714004070 /nfs/dbraw/zinc/00/40/70/714004070.db2.gz ZJOUTDHOHCTEJZ-IPELMVKDSA-N 2 0 352.469 3.220 20 0 FGADRP C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000414933973 714005899 /nfs/dbraw/zinc/00/58/99/714005899.db2.gz XMARLJIKLVFMDC-BZPMIXESSA-N 2 0 359.392 3.162 20 0 FGADRP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)C1 ZINC000522603215 714195061 /nfs/dbraw/zinc/19/50/61/714195061.db2.gz PCAXNGVGJIGIRS-DLBZAZTESA-N 2 0 354.583 3.163 20 0 FGADRP CC(C)[C@@H](CNC(=O)NCC[N@H+](C)C1CCCC1)[NH+]1CCCCCC1 ZINC000524667614 714294507 /nfs/dbraw/zinc/29/45/07/714294507.db2.gz LNWORTGCXLOKOT-LJQANCHMSA-N 2 0 352.567 3.061 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000525372918 714347543 /nfs/dbraw/zinc/34/75/43/714347543.db2.gz HMYHVPJNYHPDKR-HNNXBMFYSA-N 2 0 370.900 3.359 20 0 FGADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]C[C@H](O)Cc2ccccc2C(F)(F)F)C1 ZINC000572992399 714448948 /nfs/dbraw/zinc/44/89/48/714448948.db2.gz JFGRTNDOSXVUNS-DOTOQJQBSA-N 2 0 358.448 3.319 20 0 FGADRP CO[C@H](C[NH2+]Cc1c(Cl)cccc1N1CC[NH+](C)CC1)C(C)(C)C ZINC000577639386 714466688 /nfs/dbraw/zinc/46/66/88/714466688.db2.gz MYKGTOHNTXNWCX-GOSISDBHSA-N 2 0 353.938 3.243 20 0 FGADRP CC(C)[N@H+](C)CC1CCN(C(=O)NC[C@H](c2cccs2)[NH+](C)C)CC1 ZINC000615616605 714539231 /nfs/dbraw/zinc/53/92/31/714539231.db2.gz ZMDZZEBZCRZDOQ-QGZVFWFLSA-N 2 0 366.575 3.113 20 0 FGADRP C[N@@H+]1CC[C@@H]([NH2+]C[C@@H](CO)Cc2ccccc2Br)CC1(C)C ZINC000623507282 715350251 /nfs/dbraw/zinc/35/02/51/715350251.db2.gz BNUBXQRXOWCFTP-GOEBONIOSA-N 2 0 369.347 3.063 20 0 FGADRP C[N@@H+]1CC[C@@H]([NH2+]C[C@@H](CO)Cc2cccc(Br)c2)CC1(C)C ZINC000623507475 715350642 /nfs/dbraw/zinc/35/06/42/715350642.db2.gz MCRGLSRDUPPHBQ-DOTOQJQBSA-N 2 0 369.347 3.063 20 0 FGADRP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CN(c3ccc(Cl)cc3)CCO2)CC1(C)C ZINC000623655315 715379908 /nfs/dbraw/zinc/37/99/08/715379908.db2.gz URZDXWUZEUJCCB-FUHWJXTLSA-N 2 0 351.922 3.008 20 0 FGADRP C[C@@H]1[C@H]([NH2+]C2CC[NH+](CC3CC3)CC2)CCCN1C(=O)OC(C)(C)C ZINC000779077842 724388201 /nfs/dbraw/zinc/38/82/01/724388201.db2.gz XVGGBNAWQIOJHR-CRAIPNDOSA-N 2 0 351.535 3.238 20 0 FGADRP Cc1ccc(Br)cc1[C@@H](C)[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000623902541 715427559 /nfs/dbraw/zinc/42/75/59/715427559.db2.gz KLCSCZIUDMQFQU-OAHLLOKOSA-N 2 0 368.363 3.434 20 0 FGADRP CCC[NH+]1CCC([NH2+]C[C@@H]2CN(c3ccc(Cl)cc3)CCO2)CC1 ZINC000624119038 715476630 /nfs/dbraw/zinc/47/66/30/715476630.db2.gz VORXVUIEUGRWEG-LJQANCHMSA-N 2 0 351.922 3.009 20 0 FGADRP O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@H]1CCCN1Cc1ccc(Cl)cc1 ZINC000624255875 715500614 /nfs/dbraw/zinc/50/06/14/715500614.db2.gz WNLBGFKUWDSSGZ-GUDVDZBRSA-N 2 0 361.917 3.047 20 0 FGADRP C[NH+]1CCN(CCC[NH2+][C@@H](c2cccc(Cl)c2)c2ccccn2)CC1 ZINC000779590965 724418779 /nfs/dbraw/zinc/41/87/79/724418779.db2.gz PTBCVQBNCSGCEW-FQEVSTJZSA-N 2 0 358.917 3.052 20 0 FGADRP C[C@@H](CCC[NH3+])NC(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000627096033 715996308 /nfs/dbraw/zinc/99/63/08/715996308.db2.gz PFBGGUAUJTTYQZ-NHYWBVRUSA-N 2 0 361.317 3.023 20 0 FGADRP CN(CC[N@H+](C)CCc1cccc(C(F)(F)F)c1)C1CC[NH+](C)CC1 ZINC000628277824 716133813 /nfs/dbraw/zinc/13/38/13/716133813.db2.gz LDUICUVZQJQYLN-UHFFFAOYSA-N 2 0 357.464 3.206 20 0 FGADRP C[NH2+]CCOCC[NH2+][C@@H](c1ccccc1)c1ccc(Br)cc1 ZINC000629530402 716303735 /nfs/dbraw/zinc/30/37/35/716303735.db2.gz FXAIQRXEJHPNLZ-SFHVURJKSA-N 2 0 363.299 3.364 20 0 FGADRP C[NH+]1CCN(CCC(C)(C)[NH2+]Cc2ccc(CC(F)(F)F)cc2)CC1 ZINC000631112924 716567317 /nfs/dbraw/zinc/56/73/17/716567317.db2.gz BYGJAHGPNIZPPF-UHFFFAOYSA-N 2 0 357.464 3.297 20 0 FGADRP CCC1([NH+]2CCCC2)CCN(C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)CC1 ZINC000633103159 716866188 /nfs/dbraw/zinc/86/61/88/716866188.db2.gz LQKYZPLOVCLOPJ-QGZVFWFLSA-N 2 0 352.567 3.013 20 0 FGADRP Cc1ccc(C[NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)cc1Br ZINC000635013539 717139415 /nfs/dbraw/zinc/13/94/15/717139415.db2.gz TYDWWPBMUJXMOF-BHYGNILZSA-N 2 0 353.304 3.004 20 0 FGADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]CCc1c2ccccc2[nH]c1C(F)(F)F ZINC000635020841 717140475 /nfs/dbraw/zinc/14/04/75/717140475.db2.gz MPUVVJYOUOMKAR-CQDKDKBSSA-N 2 0 355.404 3.071 20 0 FGADRP C[NH+]1CCC(C)(C[NH2+]Cc2nc3cc(Br)ccc3o2)CC1 ZINC000638954532 717502169 /nfs/dbraw/zinc/50/21/69/717502169.db2.gz CSZSMVZFNNVGSY-UHFFFAOYSA-N 2 0 352.276 3.412 20 0 FGADRP CC(C)[N@@H+]1CCCC[C@@H]1Cn1cc([C@H](N)c2ccc(Cl)cc2F)nn1 ZINC000641167105 717869693 /nfs/dbraw/zinc/86/96/93/717869693.db2.gz BMMXZLPLTJHWJI-RDTXWAMCSA-N 2 0 365.884 3.382 20 0 FGADRP C[NH2+]CCCC(=O)N(CC[NH+]1CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC000646254191 718273131 /nfs/dbraw/zinc/27/31/31/718273131.db2.gz XSTXQWDUBGYWJM-UHFFFAOYSA-N 2 0 372.340 3.417 20 0 FGADRP CC[NH+](CC)Cc1ccc(C(=O)Nc2nc(C3CC[NH2+]CC3)cs2)o1 ZINC000647085848 718330748 /nfs/dbraw/zinc/33/07/48/718330748.db2.gz AHRFYUANRQOLEL-UHFFFAOYSA-N 2 0 362.499 3.297 20 0 FGADRP Oc1ccc(Br)c(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC000647543706 718366460 /nfs/dbraw/zinc/36/64/60/718366460.db2.gz RFHQPAKKRPHWAQ-KGLIPLIRSA-N 2 0 353.304 3.366 20 0 FGADRP COc1cc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)ccc1OCC(F)(F)F ZINC000647549721 718367201 /nfs/dbraw/zinc/36/72/01/718367201.db2.gz OCBZFTPMBFLESA-RRFJBIMHSA-N 2 0 358.404 3.114 20 0 FGADRP Clc1cccc(-c2noc(CC[N@@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]4)C3)n2)c1 ZINC000647903619 718385515 /nfs/dbraw/zinc/38/55/15/718385515.db2.gz NCVMDPRIEMUQDU-WBVHZDCISA-N 2 0 360.889 3.397 20 0 FGADRP Clc1cnc2oc(C[NH+]3CCC(CC[NH+]4CCOCC4)CC3)cc2c1 ZINC000648364801 718418581 /nfs/dbraw/zinc/41/85/81/718418581.db2.gz QSUQXFVBWLVXKS-UHFFFAOYSA-N 2 0 363.889 3.416 20 0 FGADRP C[C@H](COc1ccc(Cl)c(Cl)c1)[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000648415996 718424023 /nfs/dbraw/zinc/42/40/23/718424023.db2.gz BNTLOJOBHCQHJH-CQSZACIVSA-N 2 0 374.356 3.376 20 0 FGADRP C[NH+]1CCC(N2CCC([NH2+]Cc3cc4cc(Cl)cnc4o3)CC2)CC1 ZINC000648439119 718427001 /nfs/dbraw/zinc/42/70/01/718427001.db2.gz INWJGCUBGRRDSG-UHFFFAOYSA-N 2 0 362.905 3.129 20 0 FGADRP CC(C)[N@H+](C)Cc1cccc(CNC(=O)[C@@H]([NH3+])c2cccc(Cl)c2)c1 ZINC000649306877 718502913 /nfs/dbraw/zinc/50/29/13/718502913.db2.gz WFVFGPLMZKBBSX-IBGZPJMESA-N 2 0 359.901 3.496 20 0 FGADRP [NH3+][C@@H](C(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1)c1cccc(Cl)c1 ZINC000649320320 718503993 /nfs/dbraw/zinc/50/39/93/718503993.db2.gz VBNSVKQSVDSJDY-VQIMIIECSA-N 2 0 363.933 3.454 20 0 FGADRP FC(F)(F)c1ccc(CN2CC[NH+](CC[C@H]3CCC[NH2+]C3)CC2)cc1 ZINC000649411407 718512378 /nfs/dbraw/zinc/51/23/78/718512378.db2.gz UFVNYYJOKIHTMH-MRXNPFEDSA-N 2 0 355.448 3.213 20 0 FGADRP Cc1ccc(C[N@@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)c(Br)c1 ZINC000650708120 718717782 /nfs/dbraw/zinc/71/77/82/718717782.db2.gz TYGVBLVOWZSIQB-LZLYRXPVSA-N 2 0 367.331 3.476 20 0 FGADRP COc1cc(C[N@@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)cc(Cl)c1OC ZINC000650722592 718720707 /nfs/dbraw/zinc/72/07/07/718720707.db2.gz XMARWODZYYCWNU-USXIJHARSA-N 2 0 368.905 3.218 20 0 FGADRP Cc1ccc(S(=O)(=O)[C@H]2CCCC[C@H]2[NH2+]CCC2CC[NH2+]CC2)cc1 ZINC000650763429 718724568 /nfs/dbraw/zinc/72/45/68/718724568.db2.gz ZZRRSGOLLQGPNP-UXHICEINSA-N 2 0 364.555 3.059 20 0 FGADRP CC(C)[C@H](C[NH2+][C@H]1CCc2ccc(F)c(Cl)c21)N1CC[NH+](C)CC1 ZINC000651674591 718849497 /nfs/dbraw/zinc/84/94/97/718849497.db2.gz WFHVMPRJEPSMJV-IRXDYDNUSA-N 2 0 353.913 3.328 20 0 FGADRP C[NH+]1CCC(N2CC[C@@H]([NH2+][C@@H]3CCc4ccc(F)c(Cl)c43)C2)CC1 ZINC000651709096 718853804 /nfs/dbraw/zinc/85/38/04/718853804.db2.gz KLXQTIHKHPIYQL-RHSMWYFYSA-N 2 0 351.897 3.225 20 0 FGADRP CCC1(CC)CCC([NH2+]CC2(N3CCOCC3)CC[NH+](C)CC2)CC1 ZINC000651830242 718874288 /nfs/dbraw/zinc/87/42/88/718874288.db2.gz GUDKVZJAVVYZOI-UHFFFAOYSA-N 2 0 351.579 3.122 20 0 FGADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@@H+]2CCOc2ccc(F)cc2Cl)C1 ZINC000652363642 718937122 /nfs/dbraw/zinc/93/71/22/718937122.db2.gz JWYONGVTZRXCBD-UWWQBHOKSA-N 2 0 356.869 3.219 20 0 FGADRP [NH3+]C[C@H]1CCCCN1C(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000652613398 718965922 /nfs/dbraw/zinc/96/59/22/718965922.db2.gz SVPGQBZJVNXFEU-QGZVFWFLSA-N 2 0 362.543 3.220 20 0 FGADRP c1ccc([C@@H]2C[NH2+]C[C@@]23CCN(c2ncccc2C[NH+]2CCCC2)C3)cc1 ZINC001164619303 719049015 /nfs/dbraw/zinc/04/90/15/719049015.db2.gz CLDHQQCPGGRZIT-JTHBVZDNSA-N 2 0 362.521 3.261 20 0 FGADRP c1cn(-c2cc[nH+]c(N3CCC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@H]43)c2)cn1 ZINC001164629618 719106599 /nfs/dbraw/zinc/10/65/99/719106599.db2.gz SWAPGAQODLAZLK-TZIWHRDSSA-N 2 0 359.477 3.368 20 0 FGADRP CC(C)[C@H](CNC1CC[NH+](C[C@H]2CCCO2)CC1)[NH+]1CCCCCC1 ZINC000655687455 719325680 /nfs/dbraw/zinc/32/56/80/719325680.db2.gz PKMZIKFXPYNOJN-RTWAWAEBSA-N 2 0 351.579 3.120 20 0 FGADRP Oc1ccc(Br)c(C[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)c1 ZINC000656784774 719471298 /nfs/dbraw/zinc/47/12/98/719471298.db2.gz HEGVQEOBAJQPED-AWEZNQCLSA-N 2 0 353.304 3.366 20 0 FGADRP COC[C@H](C[NH2+]Cc1ccnn1-c1cc[nH+]cc1)c1ccc(Cl)cc1 ZINC000657481902 719658919 /nfs/dbraw/zinc/65/89/19/719658919.db2.gz ZWQMWLSSTASEAZ-INIZCTEOSA-N 2 0 356.857 3.441 20 0 FGADRP C[NH+]1CCN(c2cccc(Cl)c2CN[C@@H]2CC[N@@H+](C(C)(C)C)C2)CC1 ZINC000657563377 719674611 /nfs/dbraw/zinc/67/46/11/719674611.db2.gz NPKGSNZSSVUZQK-MRXNPFEDSA-N 2 0 364.965 3.054 20 0 FGADRP C[C@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)c1ccc(C(F)F)nc1 ZINC000657937458 719733954 /nfs/dbraw/zinc/73/39/54/719733954.db2.gz VKFXYJSPANZIQY-ZDUSSCGKSA-N 2 0 350.413 3.205 20 0 FGADRP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@@H](C)c1sccc1Br ZINC000658110573 719758018 /nfs/dbraw/zinc/75/80/18/719758018.db2.gz YVXNUMMFBVONHI-STQMWFEESA-N 2 0 362.381 3.433 20 0 FGADRP CCOc1cc[nH+]c(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)c1 ZINC001164694972 719892271 /nfs/dbraw/zinc/89/22/71/719892271.db2.gz IOHLRPADYXXFTK-UHFFFAOYSA-N 2 0 373.522 3.413 20 0 FGADRP CC[C@@H](CC(F)F)C[NH+]1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000659911009 719955250 /nfs/dbraw/zinc/95/52/50/719955250.db2.gz BACCDLJWCJSQNY-SFHVURJKSA-N 2 0 353.501 3.417 20 0 FGADRP CO[C@H](C[NH+]1CCN(C2CC[NH+](C(C)C)CC2)CC1)C1CCCCC1 ZINC000660108170 719990333 /nfs/dbraw/zinc/99/03/33/719990333.db2.gz VIVKDWOOCHIJRP-OAQYLSRUSA-N 2 0 351.579 3.072 20 0 FGADRP CO[C@@H](C[N@H+](C)[C@H]1CCC[NH+](C[C@@H](OC)C2CCC2)CC1)C1CCC1 ZINC000660124244 719993373 /nfs/dbraw/zinc/99/33/73/719993373.db2.gz GPCMFSVUDFRCOY-PCCBWWKXSA-N 2 0 352.563 3.403 20 0 FGADRP C[C@@H]1CN(CCSc2ccc(F)cc2F)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000660155206 719998514 /nfs/dbraw/zinc/99/85/14/719998514.db2.gz MMYHILCRGXOSGZ-QAPCUYQASA-N 2 0 369.525 3.015 20 0 FGADRP C[NH+](C)[C@@H](CNC(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1)c1ccsc1 ZINC000660312048 720027669 /nfs/dbraw/zinc/02/76/69/720027669.db2.gz NQKXRSCKJDCTSN-AEFFLSMTSA-N 2 0 364.559 3.057 20 0 FGADRP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C[C@H](O)Cc1ccc(C(F)(F)F)cc1)C2 ZINC000660656951 720092199 /nfs/dbraw/zinc/09/21/99/720092199.db2.gz CHMMIDRHWHQTQJ-QZTJIDSGSA-N 2 0 356.432 3.027 20 0 FGADRP COc1ccc(NC(=O)CC[N@@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)cc1Cl ZINC000660659139 720093460 /nfs/dbraw/zinc/09/34/60/720093460.db2.gz KMDCGHVEVSZIEG-IBGZPJMESA-N 2 0 365.905 3.095 20 0 FGADRP COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1cc3[nH]ccc3c(C)[nH+]1)C2 ZINC001164817220 720155356 /nfs/dbraw/zinc/15/53/56/720155356.db2.gz PAEAJMVHIZPUDA-UTKZUKDTSA-N 2 0 354.498 3.056 20 0 FGADRP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1cc3[nH]ccc3c(C)[nH+]1)C2 ZINC001164817216 720155532 /nfs/dbraw/zinc/15/55/32/720155532.db2.gz PAEAJMVHIZPUDA-DYESRHJHSA-N 2 0 354.498 3.056 20 0 FGADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@H+](Cc3cccc(F)c3OC(F)F)C2)C1 ZINC000662284205 720410042 /nfs/dbraw/zinc/41/00/42/720410042.db2.gz GDZMNCSZPLFJHM-BJJXKVORSA-N 2 0 358.404 3.145 20 0 FGADRP C[C@@H](NC(=O)C[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1)c1ccc(Cl)cc1 ZINC000662291096 720410423 /nfs/dbraw/zinc/41/04/23/720410423.db2.gz PBQQLHWEQHMAKG-QAPCUYQASA-N 2 0 363.933 3.229 20 0 FGADRP C[C@@H](C(=O)NCc1ccccc1Cl)[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662298687 720412056 /nfs/dbraw/zinc/41/20/56/720412056.db2.gz WUZRWQBVFGMARQ-MAUKXSAKSA-N 2 0 363.933 3.056 20 0 FGADRP C[N@@H+]1CCC[C@@H](CNC(=O)c2cccc3c2C[NH2+]C3)[C@H]1c1cccs1 ZINC000662474071 720432166 /nfs/dbraw/zinc/43/21/66/720432166.db2.gz RYWNGVVWLARIPY-KXBFYZLASA-N 2 0 355.507 3.164 20 0 FGADRP CC1(C)CC[NH2+][C@@H]1C(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000662722046 720454231 /nfs/dbraw/zinc/45/42/31/720454231.db2.gz IKESAWYCVLUEKK-GOSISDBHSA-N 2 0 363.933 3.056 20 0 FGADRP Cc1cc(C)[nH+]c(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)c1 ZINC001164841207 720509338 /nfs/dbraw/zinc/50/93/38/720509338.db2.gz XYCOINLIELVVEQ-SLFFLAALSA-N 2 0 353.514 3.273 20 0 FGADRP COCCc1nc(C)c([C@H](C)[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)s1 ZINC000663467100 720517985 /nfs/dbraw/zinc/51/79/85/720517985.db2.gz CTQCHEIHSWIAHQ-WMLDXEAASA-N 2 0 351.560 3.413 20 0 FGADRP C[NH2+]CCCC(=O)N1CCC([NH2+]C[C@H](C)c2cccc(Cl)c2)CC1 ZINC000663506921 720520656 /nfs/dbraw/zinc/52/06/56/720520656.db2.gz XTWQDTJBQLMTHW-HNNXBMFYSA-N 2 0 351.922 3.024 20 0 FGADRP CCN(C(=O)NC[C@H](c1ccsc1)[NH+](CC)CC)[C@@H]1CC[N@H+](CC)C1 ZINC000663620730 720530894 /nfs/dbraw/zinc/53/08/94/720530894.db2.gz RLNKEVLYQLYHQL-QZTJIDSGSA-N 2 0 366.575 3.257 20 0 FGADRP CC(C)(C)N(c1ncccc1C[NH+]1CCCC1)[C@@H]1COC2(C1)CC[NH2+]CC2 ZINC001164733712 720547905 /nfs/dbraw/zinc/54/79/05/720547905.db2.gz QCBRMNCSBDFGFH-IBGZPJMESA-N 2 0 372.557 3.193 20 0 FGADRP CCN(C(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C)[C@@H]1CC[N@H+](CC)C1 ZINC000664292624 720619140 /nfs/dbraw/zinc/61/91/40/720619140.db2.gz OVAHKJNLKJZWGZ-MSOLQXFVSA-N 2 0 366.937 3.068 20 0 FGADRP C[NH2+]CCCC(=O)N1CCC([NH2+][C@@H](CC(C)C)c2cccs2)CC1 ZINC000665287757 720750460 /nfs/dbraw/zinc/75/04/60/720750460.db2.gz TUEDJPSIDDHCTP-KRWDZBQOSA-N 2 0 351.560 3.416 20 0 FGADRP Brc1ccc(C[NH2+][C@H]2CC23CC[NH2+]CC3)cc1Br ZINC000666952003 721004727 /nfs/dbraw/zinc/00/47/27/721004727.db2.gz BPNSBOZYGGBYAE-ZDUSSCGKSA-N 2 0 374.120 3.443 20 0 FGADRP COc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+][C@H]1CC[NH2+]C2(CCC2)C1 ZINC000666995781 721011027 /nfs/dbraw/zinc/01/10/27/721011027.db2.gz ZWXFVGDIKSNZHR-HIFRSBDPSA-N 2 0 365.905 3.330 20 0 FGADRP Fc1cncc(Br)c1CN1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000667708369 721161578 /nfs/dbraw/zinc/16/15/78/721161578.db2.gz AFEUKALRTQYTTB-YVEFUNNKSA-N 2 0 368.294 3.432 20 0 FGADRP COc1ccc(C[C@@H](C)C[N@@H+]2CCO[C@H](CCC[NH+](C)C)C2)cc1F ZINC000668784550 721356252 /nfs/dbraw/zinc/35/62/52/721356252.db2.gz FHHIVDQFNJCQRO-SJLPKXTDSA-N 2 0 352.494 3.056 20 0 FGADRP FC(F)(F)Oc1cccc(CC[NH+]2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000676633139 721821187 /nfs/dbraw/zinc/82/11/87/721821187.db2.gz SUXOVESRKVLFJY-UHFFFAOYSA-N 2 0 351.372 3.345 20 0 FGADRP CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[NH+](C[C@H]3CCCO3)CC2)nc1 ZINC001165041625 721924341 /nfs/dbraw/zinc/92/43/41/721924341.db2.gz AKTIASNUAHLVBE-NHCUHLMSSA-N 2 0 372.557 3.320 20 0 FGADRP FC(F)O[C@H]1CCC[N@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000679739315 722046170 /nfs/dbraw/zinc/04/61/70/722046170.db2.gz CTJSFQIBNSQHFH-SFHVURJKSA-N 2 0 354.441 3.365 20 0 FGADRP Cc1cc(C(F)(F)F)ccc1C[NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000682373403 722244043 /nfs/dbraw/zinc/24/40/43/722244043.db2.gz HQLKMNOTUNYCQY-QGZVFWFLSA-N 2 0 355.448 3.272 20 0 FGADRP C[N@@H+]1CCCC[C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)C1 ZINC000700804668 722409889 /nfs/dbraw/zinc/40/98/89/722409889.db2.gz QATUSDFUSSZRHF-OOKSDGMUSA-N 2 0 351.535 3.238 20 0 FGADRP C[C@H]([NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)OC(C)(C)C)C2)C1CC[NH+](C)CC1 ZINC000709489492 722413178 /nfs/dbraw/zinc/41/31/78/722413178.db2.gz ZNPWOIFNKICCEU-LAQRGFTBSA-N 2 0 351.535 3.094 20 0 FGADRP C[NH+](C)C1(C)CCC([NH2+]C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000714242910 722415123 /nfs/dbraw/zinc/41/51/23/722415123.db2.gz ANSYLHZGMVNUFT-VXESANQCSA-N 2 0 353.551 3.486 20 0 FGADRP CCc1ncc(C[NH2+]CCC2(O)CC[NH+](Cc3ccccc3)CC2)s1 ZINC000717907850 722417897 /nfs/dbraw/zinc/41/78/97/722417897.db2.gz RUJCLBAYSOZHAZ-UHFFFAOYSA-N 2 0 359.539 3.212 20 0 FGADRP CC[N@@H+]1CC[C@H]([NH2+]CCC2CCN(C(=O)OC(C)(C)C)CC2)[C@@H](C)C1 ZINC000742385865 722556753 /nfs/dbraw/zinc/55/67/53/722556753.db2.gz ZAORDRRSKBIJJJ-WMZOPIPTSA-N 2 0 353.551 3.344 20 0 FGADRP CCC[N@H+](CC)CCNC(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000746753995 722617101 /nfs/dbraw/zinc/61/71/01/722617101.db2.gz IQQONQSXSPZFFE-UHFFFAOYSA-N 2 0 352.567 3.062 20 0 FGADRP C[NH+]1CCN(c2cc[nH+]cc2NCc2ccc(CSC(F)F)o2)CC1 ZINC000754068775 722925677 /nfs/dbraw/zinc/92/56/77/722925677.db2.gz PTPUMHLSOFGZAG-UHFFFAOYSA-N 2 0 368.453 3.494 20 0 FGADRP CN(CC1CC[NH+](CC[C@@H]2CCCC[N@@H+]2C)CC1)C(=O)OC(C)(C)C ZINC000760835256 723096804 /nfs/dbraw/zinc/09/68/04/723096804.db2.gz LWCNDSUEFJUGDY-SFHVURJKSA-N 2 0 353.551 3.440 20 0 FGADRP C[C@H](NC(=O)OC(C)(C)C)C1CC[NH+](CC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000760840212 723097294 /nfs/dbraw/zinc/09/72/94/723097294.db2.gz GRSYRBNLYHNVAU-WMZOPIPTSA-N 2 0 353.551 3.486 20 0 FGADRP C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCC[N@H+](CC[C@H]2CCCC[NH+]2C)C1 ZINC000760905354 723103857 /nfs/dbraw/zinc/10/38/57/723103857.db2.gz AYSVEZYYVUFZTK-OKZBNKHCSA-N 2 0 353.551 3.486 20 0 FGADRP C[N@@H+]1CCCC[C@H]1CC[NH+]1CC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000765024675 723471134 /nfs/dbraw/zinc/47/11/34/723471134.db2.gz GYSGTXAORAWBNR-PXNSSMCTSA-N 2 0 351.535 3.194 20 0 FGADRP CC(C)(C)OC(=O)N1CC[C@@H]2C[N@H+](CCC[NH+]3CCCCC3)CC[C@H]21 ZINC000795126447 723565639 /nfs/dbraw/zinc/56/56/39/723565639.db2.gz WJRBJCJIGHDRSD-QZTJIDSGSA-N 2 0 351.535 3.194 20 0 FGADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H](C)c2cc(C)c(OC)c(Cl)c2)CC1 ZINC000796691858 723650503 /nfs/dbraw/zinc/65/05/03/723650503.db2.gz FVDIKHWEQZCPIC-JKSUJKDBSA-N 2 0 353.938 3.334 20 0 FGADRP C[N@@H+]1CC[C@H]([NH2+]C[C@H](O)c2ccc(OC(F)(F)F)cc2)[C@@H]2CCC[C@H]21 ZINC000796736796 723652619 /nfs/dbraw/zinc/65/26/19/723652619.db2.gz HPMCCPJLPMLPMW-NXOAAHMSSA-N 2 0 358.404 3.081 20 0 FGADRP C[N@@H+]1CC[C@H]([NH2+]CC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)[C@@H]2CCC[C@@H]21 ZINC000796753244 723653525 /nfs/dbraw/zinc/65/35/25/723653525.db2.gz CZINIIOWZWITGU-OWSLCNJRSA-N 2 0 351.535 3.096 20 0 FGADRP CC[NH+](CC)CC1CC[NH+](Cc2cc(OC)ccc2OCOC)CC1 ZINC000768303337 723653535 /nfs/dbraw/zinc/65/35/35/723653535.db2.gz MBHRYGKAIIKEJM-UHFFFAOYSA-N 2 0 350.503 3.232 20 0 FGADRP Cc1ccc(Cl)c(OC[C@H](O)C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)c1 ZINC000799178167 723995297 /nfs/dbraw/zinc/99/52/97/723995297.db2.gz OPKQCOIRBHGGAP-QGZVFWFLSA-N 2 0 366.933 3.196 20 0 FGADRP COC(=O)N1CCC[C@H]([C@@H](C)[NH2+]C2CC[NH+](C3CCCCC3)CC2)C1 ZINC000775579710 724003011 /nfs/dbraw/zinc/00/30/11/724003011.db2.gz DTLRDMLAQXLQQI-SJORKVTESA-N 2 0 351.535 3.240 20 0 FGADRP CCCCO[C@H]1C[C@@H]([NH2+]C2CCN(C3CC[NH+](C)CC3)CC2)C1(C)C ZINC000776160172 724114845 /nfs/dbraw/zinc/11/48/45/724114845.db2.gz MKCYJDYTMGVDKS-UXHICEINSA-N 2 0 351.579 3.118 20 0 FGADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)OC(C)(C)C)C2 ZINC000802009054 724352738 /nfs/dbraw/zinc/35/27/38/724352738.db2.gz LNKHOPJPEHDSJH-FXAWDEMLSA-N 2 0 351.535 3.194 20 0 FGADRP C[C@H]1C[C@H]([NH2+]C[C@H]2CC[C@H](CNC(=O)OC(C)(C)C)CC2)CC[N@@H+]1C ZINC000808726322 725214985 /nfs/dbraw/zinc/21/49/85/725214985.db2.gz YEENGUVCRISIQS-XLAORIBOSA-N 2 0 353.551 3.390 20 0 FGADRP CCCC[N@H+](C)C[C@@H](C)NC(=O)NC1CCC([NH+]2CCCCC2)CC1 ZINC000812122397 725389148 /nfs/dbraw/zinc/38/91/48/725389148.db2.gz JQJGCQCXLXYKCA-LMDPOFIKSA-N 2 0 352.567 3.203 20 0 FGADRP C[C@H]([NH2+]CCCC[N@@H+]1CCCC[C@@H]1C)C1CN(C(=O)OC(C)(C)C)C1 ZINC000816535012 727172545 /nfs/dbraw/zinc/17/25/45/727172545.db2.gz CBUOFOAXBVPLHQ-IRXDYDNUSA-N 2 0 353.551 3.486 20 0 FGADRP CCOC(=O)C1([C@H](C)[NH2+][C@H](C)c2nc3ccccc3s2)CC[NH2+]CC1 ZINC000817894679 727287214 /nfs/dbraw/zinc/28/72/14/727287214.db2.gz PNSHEFSOJQZAJS-KGLIPLIRSA-N 2 0 361.511 3.268 20 0 FGADRP C[C@H](C[C@H](O)c1cccs1)[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000817912941 727287771 /nfs/dbraw/zinc/28/77/71/727287771.db2.gz LHTIZROLDXTGRJ-FKKBTLCVSA-N 2 0 358.507 3.406 20 0 FGADRP CC[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000817987868 727290678 /nfs/dbraw/zinc/29/06/78/727290678.db2.gz ZAQQVZMAMBECEF-MDMSPXHWSA-N 2 0 351.535 3.142 20 0 FGADRP C[NH+]1CCC(CC[NH2+]C[C@](C)(O)c2ccc(Br)cc2F)CC1 ZINC000818989914 727335317 /nfs/dbraw/zinc/33/53/17/727335317.db2.gz RBNZYTSLAQEHFE-KRWDZBQOSA-N 2 0 373.310 3.117 20 0 FGADRP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]C[C@](C)(O)c2ccc(Br)cc2F)C1 ZINC000819134549 727350891 /nfs/dbraw/zinc/35/08/91/727350891.db2.gz IDOGWJOAVVJWIO-CPUCHLNUSA-N 2 0 373.310 3.258 20 0 FGADRP C[NH+](C)CC1CCC([NH2+]C[C@H](O)c2ccccc2Br)CC1 ZINC000819186545 727356019 /nfs/dbraw/zinc/35/60/19/727356019.db2.gz ZYZRZXWAMVXVQY-KVULBXGLSA-N 2 0 355.320 3.193 20 0 FGADRP O[C@H](C[NH2+]CCCCC[NH+]1CCCC1)c1ccccc1Br ZINC000819333664 727368121 /nfs/dbraw/zinc/36/81/21/727368121.db2.gz OHIAYMMKRVLSDI-QGZVFWFLSA-N 2 0 355.320 3.338 20 0 FGADRP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCCCC[C@@H]1C[C@@H](O)c1cccs1 ZINC000821387741 729082459 /nfs/dbraw/zinc/08/24/59/729082459.db2.gz WTOOGTAYDRFMJY-FGTMMUONSA-N 2 0 354.560 3.117 20 0 FGADRP CC(C)[C@@H](CNC(=O)OC(C)(C)C)C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000823465420 729283242 /nfs/dbraw/zinc/28/32/42/729283242.db2.gz YBRDNZXHMOTDCC-MSOLQXFVSA-N 2 0 353.551 3.201 20 0 FGADRP CC(C)[NH+]1CCC([NH2+]C[C@H]2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)CC1 ZINC000823614392 729292624 /nfs/dbraw/zinc/29/26/24/729292624.db2.gz PVAOTZOVAARBRM-SJORKVTESA-N 2 0 353.551 3.484 20 0 FGADRP C[C@@H]1C[C@@H](C[N@@H+]2CCC[C@H]([NH+](C)C)CC2)CCN1C(=O)OC(C)(C)C ZINC000824292940 729329079 /nfs/dbraw/zinc/32/90/79/729329079.db2.gz WOLVWIVIEINHRA-SQNIBIBYSA-N 2 0 353.551 3.438 20 0 FGADRP CC(C)[N@@H+]1CC[C@H](C[NH2+]C[C@H]2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)C1 ZINC000824384194 729334821 /nfs/dbraw/zinc/33/48/21/729334821.db2.gz ZGKSZFDHZOXSDX-OKZBNKHCSA-N 2 0 353.551 3.342 20 0 FGADRP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+]CCc3ccc(F)cc3Cl)cc2)C1 ZINC000826943703 729419637 /nfs/dbraw/zinc/41/96/37/729419637.db2.gz YOLDMKFNKYCTDR-LJQANCHMSA-N 2 0 362.876 3.378 20 0 FGADRP Cc1cc(C[NH+](C)C)cc(NC(=O)C[C@H]([NH3+])c2cc(C)nc(Cl)c2)c1 ZINC000831464927 729644254 /nfs/dbraw/zinc/64/42/54/729644254.db2.gz AMTJTFLHVAWHGG-KRWDZBQOSA-N 2 0 360.889 3.442 20 0 FGADRP C[N@@H+]1CC[C@H](CNC(=O)CCCCCC[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000831480911 729645327 /nfs/dbraw/zinc/64/53/27/729645327.db2.gz JMBDHADBXTWNDN-DNVCBOLYSA-N 2 0 369.912 3.497 20 0 FGADRP C[C@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000834893082 729844410 /nfs/dbraw/zinc/84/44/10/729844410.db2.gz NSNDMAIEOHKTNC-VGUREELVSA-N 2 0 351.535 3.237 20 0 FGADRP C[C@H]([NH2+]CCCC[N@H+](C)C1CC1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000834908401 729845478 /nfs/dbraw/zinc/84/54/78/729845478.db2.gz JQRFQKHVWDIKMC-INIZCTEOSA-N 2 0 353.551 3.486 20 0 FGADRP Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C[NH2+][C@H]1CC[C@H](C[NH3+])C1 ZINC000841084187 730208841 /nfs/dbraw/zinc/20/88/41/730208841.db2.gz ILNUCHRRNOWCHG-HOCLYGCPSA-N 2 0 350.869 3.249 20 0 FGADRP C[NH2+]CC1CC[NH+](Cc2c(C)nn(Cc3ccc(F)cc3)c2Cl)CC1 ZINC000843049256 730574268 /nfs/dbraw/zinc/57/42/68/730574268.db2.gz INZNMYAWFAPBIA-UHFFFAOYSA-N 2 0 364.896 3.464 20 0 FGADRP Cc1nn(C)c2nc(Cl)c(C[N@@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]C4)C3)cc12 ZINC000843128893 730589187 /nfs/dbraw/zinc/58/91/87/730589187.db2.gz YOSXAXPFCDUIMQ-HUUCEWRRSA-N 2 0 361.921 3.142 20 0 FGADRP COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000843364003 730610858 /nfs/dbraw/zinc/61/08/58/730610858.db2.gz JJGKEGYMEPRRMB-AWEZNQCLSA-N 2 0 365.905 3.060 20 0 FGADRP Cc1cc([C@@H]([NH3+])CC(=O)N(C)CC[N@H+](C)C2CCCCC2)cc(Cl)n1 ZINC000843487704 730624381 /nfs/dbraw/zinc/62/43/81/730624381.db2.gz UECDZNNGJGHQLB-KRWDZBQOSA-N 2 0 366.937 3.156 20 0 FGADRP Cc1cc([C@H]([NH3+])CC(=O)Nc2cc(C[NH+](C)C)ccc2C)cc(Cl)n1 ZINC000844188871 730691204 /nfs/dbraw/zinc/69/12/04/730691204.db2.gz AEEQLRQOMBDGOX-MRXNPFEDSA-N 2 0 360.889 3.442 20 0 FGADRP Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C[NH2+]CCC1(C[NH3+])CC1 ZINC000844903979 730787287 /nfs/dbraw/zinc/78/72/87/730787287.db2.gz UYLQGEDBLVZUME-UHFFFAOYSA-N 2 0 350.869 3.251 20 0 FGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]CCCCCC[NH3+])CC1 ZINC000846222499 730937425 /nfs/dbraw/zinc/93/74/25/730937425.db2.gz FAORZTANQMJLLP-KRWDZBQOSA-N 3 0 350.526 3.137 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCCc1cccc(C(F)(F)F)c1 ZINC000849066438 731225721 /nfs/dbraw/zinc/22/57/21/731225721.db2.gz FCXLIWMZQGXVLD-MRXNPFEDSA-N 2 0 356.436 3.236 20 0 FGADRP C[C@H](CNC(=[NH2+])NCc1cccc(C(F)(F)F)c1)[N@@H+]1CCC[C@H](C)C1 ZINC000849091047 731228163 /nfs/dbraw/zinc/22/81/63/731228163.db2.gz DTIFGYUBYMSLCT-UONOGXRCSA-N 2 0 356.436 3.440 20 0 FGADRP CC(C)(CNC(=[NH2+])NCc1cccc(C(F)(F)F)c1)C[NH+]1CCCC1 ZINC000849093179 731228504 /nfs/dbraw/zinc/22/85/04/731228504.db2.gz LDQDYLSITNWURO-UHFFFAOYSA-N 2 0 356.436 3.441 20 0 FGADRP CC[N@H+](C)Cc1cc(O[C@H]2CC[NH+](C[C@H]3CCC(F)(F)C3)C2)ccn1 ZINC000856585113 732039701 /nfs/dbraw/zinc/03/97/01/732039701.db2.gz ZMIRUKMHQBUCJQ-YJBOKZPZSA-N 2 0 353.457 3.422 20 0 FGADRP C[NH+]1CCC(C[NH2+][C@H]2CCc3ccc(Cl)nc32)(N2CCCCC2)CC1 ZINC000857907471 732168292 /nfs/dbraw/zinc/16/82/92/732168292.db2.gz PSMPKFOZOIWHFB-KRWDZBQOSA-N 2 0 362.949 3.262 20 0 FGADRP C[N@@H+]1CC[C@H]([NH2+][C@H]2C[C@@H](NC(=O)OC(C)(C)C)C23CCC3)CC1(C)C ZINC000858183357 732190337 /nfs/dbraw/zinc/19/03/37/732190337.db2.gz CTHPKMVGLSJHCX-HRCADAONSA-N 2 0 351.535 3.285 20 0 FGADRP C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1[NH2+]C[C@@H]1CCCC[N@H+](C)C1 ZINC000858490777 732220309 /nfs/dbraw/zinc/22/03/09/732220309.db2.gz OHNQKNNUDKJFGT-FGTMMUONSA-N 2 0 353.551 3.344 20 0 FGADRP Cc1c(Cl)cccc1NC(=S)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000865246097 733163994 /nfs/dbraw/zinc/16/39/94/733163994.db2.gz XZPQFKUMEYTEHZ-HUUCEWRRSA-N 2 0 368.978 3.016 20 0 FGADRP CC(C)[NH+]1CCC(O)(C[NH2+]Cc2cccc(F)c2OC(F)(F)F)CC1 ZINC000865491439 733212178 /nfs/dbraw/zinc/21/21/78/733212178.db2.gz DIUPIYDECXZUKZ-UHFFFAOYSA-N 2 0 364.383 3.049 20 0 FGADRP C[NH+](C)C[C@@H]1CN(C(=O)Nc2cc(Cl)ccc2Cl)C[C@H]1C[NH+](C)C ZINC000866040695 733304983 /nfs/dbraw/zinc/30/49/83/733304983.db2.gz FJZUVXNTQUHUKM-CHWSQXEVSA-N 2 0 373.328 3.197 20 0 FGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H](C)c2cc3c(ccnc3Cl)o2)CC1 ZINC000866260546 733330154 /nfs/dbraw/zinc/33/01/54/733330154.db2.gz VEHSMFDTGZOLCH-HUUCEWRRSA-N 2 0 364.921 3.405 20 0 FGADRP Cc1ccc(S(=O)(=O)C[C@@H](C)[NH2+]C2CCC(C)([NH+](C)C)CC2)cc1 ZINC000866516858 733359948 /nfs/dbraw/zinc/35/99/48/733359948.db2.gz DHGZRLLKOFWTGQ-LRYGQEGESA-N 2 0 352.544 3.010 20 0 FGADRP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]C[C@H]3CC4(CO3)CCOCC4)CC2)C1 ZINC000866532427 733361871 /nfs/dbraw/zinc/36/18/71/733361871.db2.gz LNEXXMCUUWTNHU-MISYRCLQSA-N 2 0 350.547 3.205 20 0 FGADRP C[C@H]1CCC[N@H+](CCCCNC(=O)NC2CCC(C)([NH+](C)C)CC2)C1 ZINC000868103222 733556552 /nfs/dbraw/zinc/55/65/52/733556552.db2.gz QBGVEYXGONVFNP-ZJRDLVKKSA-N 2 0 352.567 3.061 20 0 FGADRP C[NH+]1CCC(C[NH2+][C@@H](c2cccc(Br)c2)[C@@H]2CCOC2)CC1 ZINC000872034758 735579576 /nfs/dbraw/zinc/57/95/76/735579576.db2.gz RBPDWXXJHDHUIC-AEFFLSMTSA-N 2 0 367.331 3.458 20 0 FGADRP C[C@H](C(=O)N(C)Cc1nc2ccccc2s1)[N@H+](C)CCCCCC[NH3+] ZINC000872155735 735597243 /nfs/dbraw/zinc/59/72/43/735597243.db2.gz VCQGRQZXTFOERZ-OAHLLOKOSA-N 2 0 362.543 3.094 20 0 FGADRP C[C@@H]([NH2+]Cc1cc2c(s1)CC[NH2+]C2)c1ccc(N2CCCC2=O)cc1 ZINC000873211154 735738752 /nfs/dbraw/zinc/73/87/52/735738752.db2.gz IFCCPPPXUHTPAQ-CQSZACIVSA-N 2 0 355.507 3.371 20 0 FGADRP COc1cc(OC)c([C@@H](C)[NH2+]C[C@@H]2CC3(CO2)CC[NH2+]CC3)cc1Cl ZINC000873289615 735746416 /nfs/dbraw/zinc/74/64/16/735746416.db2.gz JURYDURWCMBMFJ-KGLIPLIRSA-N 2 0 368.905 3.167 20 0 FGADRP COc1cc(OC)c([C@H](C)[NH2+]C[C@@H]2CC3(CO2)CC[NH2+]CC3)cc1Cl ZINC000873289614 735746729 /nfs/dbraw/zinc/74/67/29/735746729.db2.gz JURYDURWCMBMFJ-KBPBESRZSA-N 2 0 368.905 3.167 20 0 FGADRP C[C@H]([NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2)c1nc2ccc(Cl)cc2n1C ZINC000873292576 735747171 /nfs/dbraw/zinc/74/71/71/735747171.db2.gz ULHGNWGZKJMOCH-ZFWWWQNUSA-N 2 0 362.905 3.036 20 0 FGADRP C[C@@H]([NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2)c1ccc(F)cc1OC(F)F ZINC000873292676 735747594 /nfs/dbraw/zinc/74/75/94/735747594.db2.gz UQJBHXDYJLFPMZ-TZMCWYRMSA-N 2 0 358.404 3.236 20 0 FGADRP COCCC[C@@H]([NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2)c1ccc(F)cc1 ZINC000873294002 735747734 /nfs/dbraw/zinc/74/77/34/735747734.db2.gz SAZOSIODWLFRCA-RBUKOAKNSA-N 2 0 350.478 3.042 20 0 FGADRP Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)CCC12CC(C1)C[NH2+]2 ZINC000876743464 736139220 /nfs/dbraw/zinc/13/92/20/736139220.db2.gz CYRLTDNDNMXKIX-UHFFFAOYSA-N 2 0 359.539 3.015 20 0 FGADRP CN1CC[NH+](CCCC[NH2+]Cc2cc3nc(Cl)ccc3s2)CC1 ZINC000876928326 736164104 /nfs/dbraw/zinc/16/41/04/736164104.db2.gz AAQIZWFIQCQRTM-UHFFFAOYSA-N 2 0 352.935 3.067 20 0 FGADRP C[NH+]1CCC(N2CC[C@@H]([NH2+]Cc3cc4nc(Cl)ccc4s3)C2)CC1 ZINC000877027633 736177498 /nfs/dbraw/zinc/17/74/98/736177498.db2.gz QQHUKXJBVIYJMB-CYBMUJFWSA-N 2 0 364.946 3.208 20 0 FGADRP C[N@H+](Cc1cc2c(ccnc2Cl)o1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000877525471 736678526 /nfs/dbraw/zinc/67/85/26/736678526.db2.gz DMQUYRDVTIDUPL-OAHLLOKOSA-N 2 0 362.905 3.082 20 0 FGADRP CC(C)C[C@H]([NH2+]CC(=O)NC1CC[NH+](C)CC1)c1ccc(Cl)cc1 ZINC000878366633 736816245 /nfs/dbraw/zinc/81/62/45/736816245.db2.gz UMTZPSBWOIDYLM-SFHVURJKSA-N 2 0 351.922 3.227 20 0 FGADRP C(=C/C[N@@H+]1CC[C@H](c2nccs2)C1)\C[NH+]1CC[C@H](c2nccs2)C1 ZINC000880319180 737154362 /nfs/dbraw/zinc/15/43/62/737154362.db2.gz CCPUHYXATKEPEP-POHSLCEDSA-N 2 0 360.552 3.435 20 0 FGADRP Cn1nc2c(c1C[NH2+]Cc1ccc(C[NH+]3CCCC3)cc1)CSCC2 ZINC000882881049 737499945 /nfs/dbraw/zinc/49/99/45/737499945.db2.gz VSOTZURPAPYRKK-UHFFFAOYSA-N 2 0 356.539 3.095 20 0 FGADRP Cn1nc2c(c1C[NH2+]Cc1cccc(C[NH+]3CCCC3)c1)CSCC2 ZINC000882883410 737500586 /nfs/dbraw/zinc/50/05/86/737500586.db2.gz YICIWAGAFJCNDK-UHFFFAOYSA-N 2 0 356.539 3.095 20 0 FGADRP [NH3+][C@H]1CCO[C@@H](C2CC[NH+](CCc3ccccc3Br)CC2)C1 ZINC000883433116 737566061 /nfs/dbraw/zinc/56/60/61/737566061.db2.gz IOVWKIUPOIVHPP-FUHWJXTLSA-N 2 0 367.331 3.210 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=S)NC[C@@H]1CCC[N@@H+]1CC)c1ccccc1 ZINC000884346842 737657300 /nfs/dbraw/zinc/65/73/00/737657300.db2.gz CFLVOKZWVGGLKJ-OALUTQOASA-N 2 0 362.587 3.018 20 0 FGADRP CCC1([NH+]2CCC2)CC[NH+](CC[C@@H]2Sc3ccccc3NC2=O)CC1 ZINC000886717762 739289506 /nfs/dbraw/zinc/28/95/06/739289506.db2.gz HVSABDTUNOKUSY-SFHVURJKSA-N 2 0 359.539 3.440 20 0 FGADRP F[C@@H]1CC2(CC[C@H]1[NH+]1CCC(CCC[NH+]3CCCC3)CC1)OCCO2 ZINC000892144341 739969903 /nfs/dbraw/zinc/96/99/03/739969903.db2.gz NGOAGTHJLYJWJT-RTBURBONSA-N 2 0 354.510 3.208 20 0 FGADRP CC[NH+](CC)CCN(Cc1cccs1)C(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000892452647 740002189 /nfs/dbraw/zinc/00/21/89/740002189.db2.gz SGJCLZDLCWSYQM-QAQDUYKDSA-N 2 0 366.575 3.119 20 0 FGADRP CCc1nnc(C[NH2+]CC2CC[NH+](Cc3ccc(OC)cc3)CC2)s1 ZINC000892749970 740040512 /nfs/dbraw/zinc/04/05/12/740040512.db2.gz IZPDWORVXRCSNK-UHFFFAOYSA-N 2 0 360.527 3.111 20 0 FGADRP CC[N@H+](C)Cc1cccc(C[NH2+]Cc2ncc(Br)cc2O)c1 ZINC000892938498 740060606 /nfs/dbraw/zinc/06/06/06/740060606.db2.gz NZICXKRFMJQOBW-UHFFFAOYSA-N 2 0 364.287 3.291 20 0 FGADRP CN1CC[C@@H](C[NH2+]CC2CC[NH+](C)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000893271812 742133230 /nfs/dbraw/zinc/13/32/30/742133230.db2.gz BSOGGDBIMTVTHI-QFBILLFUSA-N 2 0 353.913 3.403 20 0 FGADRP CN(C)c1nc(C(F)(F)F)ccc1C[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000894068300 742234138 /nfs/dbraw/zinc/23/41/38/742234138.db2.gz RHZGUCWBJZWSNS-UHFFFAOYSA-N 2 0 356.436 3.130 20 0 FGADRP Cc1csc(CNCc2ccc(C[NH+](C)C)c3c2OC(F)(F)O3)n1 ZINC000894167346 742247380 /nfs/dbraw/zinc/24/73/80/742247380.db2.gz XXHYEKBVSJGUCD-UHFFFAOYSA-N 2 0 355.410 3.124 20 0 FGADRP C[N@@H+]1CC[C@@H]2C[NH+](C[C@]3(C)CCCN(C(=O)OC(C)(C)C)C3)CC[C@H]21 ZINC000895845267 742461664 /nfs/dbraw/zinc/46/16/64/742461664.db2.gz URYLMNHTCJDUNH-HLIPFELVSA-N 2 0 351.535 3.050 20 0 FGADRP C([C@H]1CCOC1)[NH+]1CCC([NH2+][C@H]2CCC[C@@H](C3CCOCC3)C2)CC1 ZINC000902810003 743777342 /nfs/dbraw/zinc/77/73/42/743777342.db2.gz YWYSIPAGLIJLEO-QFUCXCTJSA-N 2 0 350.547 3.062 20 0 FGADRP O[C@H](C[C@@H]1CCCCC[N@@H+]1C[C@H]1C[C@]2(CC[NH2+]C2)CO1)c1cccs1 ZINC000903734476 743879970 /nfs/dbraw/zinc/87/99/70/743879970.db2.gz RLSMFQVUXIQGBG-XFKSJGNHSA-N 2 0 364.555 3.185 20 0 FGADRP Clc1ccccc1C[C@@H]1CCC[N@@H+]1Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903885667 743892589 /nfs/dbraw/zinc/89/25/89/743892589.db2.gz IOTJOYQRTMCQLO-IRXDYDNUSA-N 2 0 359.905 3.063 20 0 FGADRP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@H]2C[NH2+]CCC2(F)F)c(Cl)c1 ZINC000903955708 743904614 /nfs/dbraw/zinc/90/46/14/743904614.db2.gz AMZRRGUTLLWIOY-CHWSQXEVSA-N 2 0 359.848 3.200 20 0 FGADRP C[C@](O)(C[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1)C(F)(F)F ZINC000905709354 744045844 /nfs/dbraw/zinc/04/58/44/744045844.db2.gz LNSVMNNEOVIHIJ-XDNAFOTISA-N 2 0 356.432 3.190 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=S)NCCC[NH+](C)C)c1ccccc1Cl ZINC000916546163 758095823 /nfs/dbraw/zinc/09/58/23/758095823.db2.gz UNRQPVGFQBIWQO-QGZVFWFLSA-N 2 0 370.994 3.139 20 0 FGADRP CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1cccc(C(F)(F)F)c1)C2 ZINC000922386379 758909170 /nfs/dbraw/zinc/90/91/70/758909170.db2.gz GZXQAZRZOIODQC-ZJPYXAASSA-N 2 0 356.432 3.275 20 0 FGADRP CC[NH2+]CC1CC[NH+](C[C@@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000923294129 759096879 /nfs/dbraw/zinc/09/68/79/759096879.db2.gz CHGLUDOJZIDOJX-CQSZACIVSA-N 2 0 361.313 3.055 20 0 FGADRP Brc1cnn(C2CC[NH+](CCC3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)c1 ZINC000923313526 759098332 /nfs/dbraw/zinc/09/83/32/759098332.db2.gz USAQDRTYVJZTSB-VHRNVKJDSA-N 2 0 367.335 3.203 20 0 FGADRP C[NH2+]CCC1CC[NH+](C[C@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000923327590 759101841 /nfs/dbraw/zinc/10/18/41/759101841.db2.gz ONXHQGAPRDHKEY-AWEZNQCLSA-N 2 0 361.313 3.055 20 0 FGADRP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](C[C@H](O)c2ccc(Cl)cc2Cl)CC1 ZINC000923374611 759107767 /nfs/dbraw/zinc/10/77/67/759107767.db2.gz BSLZMTXHTNGVOS-FGTMMUONSA-N 2 0 373.324 3.245 20 0 FGADRP [NH3+]C[C@H]1CC2(CO1)CC[NH+](Cc1cc(-c3ccc(Cl)cc3)no1)CC2 ZINC000923455381 759121819 /nfs/dbraw/zinc/12/18/19/759121819.db2.gz TXXPJGGEVMUJKU-QGZVFWFLSA-N 2 0 361.873 3.325 20 0 FGADRP C[C@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000923488976 759130562 /nfs/dbraw/zinc/13/05/62/759130562.db2.gz VNEXPWAABHETDC-MNOVXSKESA-N 2 0 363.811 3.357 20 0 FGADRP C[C@@H]([NH2+]Cc1ccc(CS(C)(=O)=O)cc1)c1cccc(C[NH+](C)C)c1 ZINC000924723546 759376426 /nfs/dbraw/zinc/37/64/26/759376426.db2.gz YKTZPACLCFYKPS-MRXNPFEDSA-N 2 0 360.523 3.144 20 0 FGADRP CC(C)Oc1cc(Cl)ccc1CN[C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000925737164 759528231 /nfs/dbraw/zinc/52/82/31/759528231.db2.gz PTIGBZXFVSAQOT-OKZBNKHCSA-N 2 0 352.906 3.374 20 0 FGADRP C[C@H]([NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ccc(C(F)(F)F)cc1 ZINC000925854498 759559633 /nfs/dbraw/zinc/55/96/33/759559633.db2.gz NBHWWFXDCXGICP-WFASDCNBSA-N 2 0 356.388 3.041 20 0 FGADRP C[C@@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000925876427 759564678 /nfs/dbraw/zinc/56/46/78/759564678.db2.gz XTKYLQDAWBKIAJ-INMHGKMJSA-N 2 0 350.528 3.181 20 0 FGADRP Cc1ccc(Cl)c(NC(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)c1 ZINC000926067243 759633974 /nfs/dbraw/zinc/63/39/74/759633974.db2.gz WFTOXSNPBFPJRC-IYBDPMFKSA-N 2 0 362.905 3.081 20 0 FGADRP C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000930458597 760616014 /nfs/dbraw/zinc/61/60/14/760616014.db2.gz ADBGSDIUVAQQGS-VQVIJEGRSA-N 2 0 351.535 3.046 20 0 FGADRP COC/C(C)=C/C[NH+]1CCCC2(CCC[N@@H+](C/C=C(/C)COC)C2)C1 ZINC000930512528 760629346 /nfs/dbraw/zinc/62/93/46/760629346.db2.gz UUFDYGHIYKCZEP-NORIJPHCSA-N 2 0 350.547 3.350 20 0 FGADRP CC[C@@H]1[C@@H](C(=O)NC2CC(C[NH2+]Cc3ccc(Cl)s3)C2)CC[N@@H+]1C ZINC000961854780 762753443 /nfs/dbraw/zinc/75/34/43/762753443.db2.gz HOBRBWFVVDFWDY-FPCDFSMTSA-N 2 0 369.962 3.116 20 0 FGADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](C[NH2+]Cc3ccccc3Cl)C2)CC[N@@H+]1C ZINC000983714761 763663615 /nfs/dbraw/zinc/66/36/15/763663615.db2.gz XIGXYDGXKIBLJM-PCODUJHASA-N 2 0 363.933 3.055 20 0 FGADRP C[C@@H]1[C@H](C(=O)N2CCC(C[NH2+]Cc3cccc(Cl)c3)CC2)CC[N@@H+]1C ZINC000997784177 765082840 /nfs/dbraw/zinc/08/28/40/765082840.db2.gz CEQVEVQQUOYADT-DNVCBOLYSA-N 2 0 363.933 3.008 20 0 FGADRP Cc1cc(Cl)ccc1C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000999191286 765144578 /nfs/dbraw/zinc/14/45/78/765144578.db2.gz XDASYGCIIXJPAL-ATZDWAIDSA-N 2 0 363.933 3.069 20 0 FGADRP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc(Cl)c(Cl)c3)C2)CC[N@@H+]1C ZINC001022103935 765973407 /nfs/dbraw/zinc/97/34/07/765973407.db2.gz OWNUECBKXPULQU-REBRKWNGSA-N 2 0 370.324 3.070 20 0 FGADRP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](C[NH2+]Cc3ccccc3Cl)C2)CC[N@@H+]1C ZINC001026855713 766083172 /nfs/dbraw/zinc/08/31/72/766083172.db2.gz MCTRERQRMGQRQY-VDZJLULYSA-N 2 0 363.933 3.008 20 0 FGADRP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCC[NH+]2Cc2cc(C)sc2C)CC[N@@H+]1C ZINC001027892712 766104194 /nfs/dbraw/zinc/10/41/94/766104194.db2.gz CJHWCUGCCZGVQC-CEXWTWQISA-N 2 0 363.571 3.176 20 0 FGADRP Cc1cc(Cl)ccc1C[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001033095240 766206219 /nfs/dbraw/zinc/20/62/19/766206219.db2.gz VBIJWIZWGYOKAM-AYOQOUSVSA-N 2 0 363.933 3.021 20 0 FGADRP C[C@@H]1[C@H](C(=O)N[C@H]2CCC[NH+](Cc3cccc(Cl)c3)CC2)CC[N@@H+]1C ZINC001052393860 766898962 /nfs/dbraw/zinc/89/89/62/766898962.db2.gz RTSJXRSUZSTWFV-AYOQOUSVSA-N 2 0 363.933 3.151 20 0 FGADRP C[C@@H]1CCc2c(C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)csc2C1 ZINC000098076087 209204438 /nfs/dbraw/zinc/20/44/38/209204438.db2.gz URKZQJUGJDZTKB-MRXNPFEDSA-N 2 0 365.587 3.219 20 0 FGADRP COc1ccccc1[C@@H](CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C)[NH+]1CCCCC1 ZINC000249031017 257371269 /nfs/dbraw/zinc/37/12/69/257371269.db2.gz RCHRFUIQOIBPKB-SMLSOGCJSA-N 2 0 357.542 3.437 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNc3cc[nH+]cc3C(N)=O)cc2)C1 ZINC000302129152 257384581 /nfs/dbraw/zinc/38/45/81/257384581.db2.gz BNSZAKZGSHNDHU-IYBDPMFKSA-N 2 0 352.482 3.271 20 0 FGADRP C[C@H](Cc1ccccc1C(F)(F)F)[NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000376674149 257493844 /nfs/dbraw/zinc/49/38/44/257493844.db2.gz UFWZSYMRXVROPO-NVXWUHKLSA-N 2 0 369.475 3.395 20 0 FGADRP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)N(C)CCC[NH+]2CCCC2)CC1 ZINC000376741667 257500106 /nfs/dbraw/zinc/50/01/06/257500106.db2.gz IYPQMQZDHZRZMG-IBGZPJMESA-N 2 0 372.557 3.339 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCOC3(CCSCC3)C2)[C@H](C)C1 ZINC000536848873 503739606 /nfs/dbraw/zinc/73/96/06/503739606.db2.gz YMIRATWKUISEQZ-QRVBRYPASA-N 2 0 370.603 3.158 20 0 FGADRP COc1ccc2c(c1)[C@H]([NH2+]C1CC[NH+]([C@H]3CCCC[C@H]3O)CC1)CCC2 ZINC000536849896 503740089 /nfs/dbraw/zinc/74/00/89/503740089.db2.gz FKFFMKDCSFWSPH-BHIFYINESA-N 2 0 358.526 3.430 20 0 FGADRP CC[C@@H](CNC(=O)c1ccccc1CC[NH2+]C)[N@@H+]1CCc2ccccc2C1 ZINC000567972652 505587262 /nfs/dbraw/zinc/58/72/62/505587262.db2.gz DNCIJYDJAGZIHT-NRFANRHFSA-N 2 0 365.521 3.015 20 0 FGADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCCC[C@H](N2C(=O)c3ccccc3C2=O)C1 ZINC000573674957 505593895 /nfs/dbraw/zinc/59/38/95/505593895.db2.gz RPQFOADDHUKGSZ-BOSXTWCSSA-N 2 0 369.509 3.091 20 0 FGADRP C[C@H]([NH2+][C@H]1CCC[C@H](N2CCCC2=O)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000570943249 505618263 /nfs/dbraw/zinc/61/82/63/505618263.db2.gz RMORGSRXXSQAFD-IHPCNDPISA-N 2 0 373.541 3.211 20 0 FGADRP c1cnn(Cc2ccc(C[NH2+][C@H]3C[C@]4(CC[NH2+]C4)Oc4ccccc43)cc2)c1 ZINC000576934922 505628167 /nfs/dbraw/zinc/62/81/67/505628167.db2.gz QLBIJSKNVIINOO-GMAHTHKFSA-N 2 0 374.488 3.277 20 0 FGADRP C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C[C@H](c1ncc[nH]1)c1ccccc1 ZINC000579828957 505628545 /nfs/dbraw/zinc/62/85/45/505628545.db2.gz CJBORDMMNGXAJG-ROUUACIJSA-N 2 0 354.498 3.168 20 0 FGADRP C[C@@H]([NH2+][C@@H]1CCOC2(CCOCC2)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000568307463 505663061 /nfs/dbraw/zinc/66/30/61/505663061.db2.gz WRQVXQCHQQJLSN-IEBWSBKVSA-N 2 0 362.514 3.006 20 0 FGADRP CC(C)[N@H+](C)CC1CCN(C(=O)NC[C@H](C)[NH+](C)Cc2ccccc2)CC1 ZINC000580111028 505679775 /nfs/dbraw/zinc/67/97/75/505679775.db2.gz NENIMLBONFHYAG-IBGZPJMESA-N 2 0 374.573 3.269 20 0 FGADRP CC[NH+]1CCC(NC(=O)NCc2ccccc2C[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000047978698 493768300 /nfs/dbraw/zinc/76/83/00/493768300.db2.gz TVWINQMTJUYAOD-SFHVURJKSA-N 2 0 372.557 3.202 20 0 FGADRP CC[NH+]1CCC(NC(=O)NCc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)CC1 ZINC000047978701 493769265 /nfs/dbraw/zinc/76/92/65/493769265.db2.gz XIFUDSMTKBGEQH-GOSISDBHSA-N 2 0 372.557 3.202 20 0 FGADRP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000577163542 505677662 /nfs/dbraw/zinc/67/76/62/505677662.db2.gz ICTCGPQWQUKDPZ-LQWHRVPQSA-N 2 0 372.557 3.472 20 0 FGADRP Cc1cccc([C@@H](C)[NH+]2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)c1 ZINC000075751376 493775884 /nfs/dbraw/zinc/77/58/84/493775884.db2.gz HVEXVSIIOCJMSW-GOSISDBHSA-N 2 0 359.558 3.472 20 0 FGADRP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@H]3CCC[C@@H]32)CC1 ZINC000075768751 493777462 /nfs/dbraw/zinc/77/74/62/493777462.db2.gz TXYRFDHEZQQASB-KNQAVFIVSA-N 2 0 369.553 3.340 20 0 FGADRP O=C(C1CC[NH+](Cc2ccccc2)CC1)N1CCC([NH+]2CCCCC2)CC1 ZINC000058263221 493839465 /nfs/dbraw/zinc/83/94/65/493839465.db2.gz MBTDZCHAHLFIDT-UHFFFAOYSA-N 2 0 369.553 3.376 20 0 FGADRP O=C(N[C@H]1CC[N@H+](CC2CCCC2)C1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000081293810 493861955 /nfs/dbraw/zinc/86/19/55/493861955.db2.gz MLFNGCRMAKBBKB-QFIPXVFZSA-N 2 0 369.553 3.279 20 0 FGADRP C[N@H+](CCNC(=O)NC1CC[NH+](Cc2ccccc2)CC1)C1CCCCC1 ZINC000069070705 493914798 /nfs/dbraw/zinc/91/47/98/493914798.db2.gz XJPUBFLRKNLPCV-UHFFFAOYSA-N 2 0 372.557 3.215 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)NC[C@]2(C)CCC[NH2+]C2)cc1 ZINC000580171380 505694869 /nfs/dbraw/zinc/69/48/69/505694869.db2.gz DAZKVBODRCXTIC-XMSQKQJNSA-N 2 0 372.557 3.250 20 0 FGADRP C[C@@H]1CCC[C@](CNC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)([NH+](C)C)C1 ZINC000052497299 494031561 /nfs/dbraw/zinc/03/15/61/494031561.db2.gz LFJRTEOLCDWSAM-QRWLVFNGSA-N 2 0 352.567 3.105 20 0 FGADRP Cc1ccc(COc2ccc(C[NH2+]CC3(O)CC[NH+](C)CC3)cc2)cc1 ZINC000077450359 494085693 /nfs/dbraw/zinc/08/56/93/494085693.db2.gz WUQOHYLPSOMERS-UHFFFAOYSA-N 2 0 354.494 3.120 20 0 FGADRP CC[N@H+](C)Cc1cccc(CNC(=O)N[C@H](C)C[NH+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000064227506 494106889 /nfs/dbraw/zinc/10/68/89/494106889.db2.gz YNMIYLPYXRAHEK-CEXWTWQISA-N 2 0 374.573 3.304 20 0 FGADRP CC[N@H+](C)Cc1cccc(CNC(=O)N2CCC[NH+](C(C)(C)C)CC2)c1 ZINC000064229420 494107594 /nfs/dbraw/zinc/10/75/94/494107594.db2.gz KGWKOYGXAVPQIO-UHFFFAOYSA-N 2 0 360.546 3.154 20 0 FGADRP C[C@H](NC(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1)C(C)(C)C[NH+](C)C ZINC000085387015 494118363 /nfs/dbraw/zinc/11/83/63/494118363.db2.gz SKSSTPJXLQTNBL-DLBZAZTESA-N 2 0 364.534 3.082 20 0 FGADRP C[C@H](CNC(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1)[NH+]1CCC(C)CC1 ZINC000072044380 494119756 /nfs/dbraw/zinc/11/97/56/494119756.db2.gz YXGXLTCGEJTIIL-TZIWHRDSSA-N 2 0 372.557 3.243 20 0 FGADRP CC[NH+](CC)Cc1ccc(CNC(=O)N(C)[C@H]2CC[N@H+](C)C[C@@H]2C)cc1 ZINC000085388337 494119848 /nfs/dbraw/zinc/11/98/48/494119848.db2.gz WWEYGNBJGSQPCN-PXNSSMCTSA-N 2 0 360.546 3.010 20 0 FGADRP C[C@@H](NC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1)C(C)(C)C[NH+](C)C ZINC000085423832 494124284 /nfs/dbraw/zinc/12/42/84/494124284.db2.gz GAQOQPAEEJORHU-MOPGFXCFSA-N 2 0 366.594 3.260 20 0 FGADRP CC(C)[N@@H+]1CC[C@H](CNC(=O)NCc2ccccc2C[NH+]2CCCCC2)C1 ZINC000065441815 494197805 /nfs/dbraw/zinc/19/78/05/494197805.db2.gz RLXCWQJFKRSKFT-LJQANCHMSA-N 2 0 372.557 3.202 20 0 FGADRP O=C(NCCC[NH2+]C1CCCCC1)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000043036292 494259158 /nfs/dbraw/zinc/25/91/58/494259158.db2.gz KPGIJJRLQBQGCL-UHFFFAOYSA-N 2 0 372.557 3.046 20 0 FGADRP C[NH+](C)[C@H](CNC(=O)N1CCC([NH+]2CCCCC2)CC1)c1cccs1 ZINC000043143565 494269219 /nfs/dbraw/zinc/26/92/19/494269219.db2.gz NDURYCWFHSAEJA-QGZVFWFLSA-N 2 0 364.559 3.011 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000043239793 494279313 /nfs/dbraw/zinc/27/93/13/494279313.db2.gz IJYHRNBGWZSYLH-TZIWHRDSSA-N 2 0 372.557 3.215 20 0 FGADRP C[NH+](C)[C@@H](CNC(=O)c1ccc(C[NH+]2CCCC2)cc1)c1cccs1 ZINC000078558813 494319887 /nfs/dbraw/zinc/31/98/87/494319887.db2.gz MJENEKRIKQBSFN-SFHVURJKSA-N 2 0 357.523 3.377 20 0 FGADRP CSC1(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CC[NH+](C)CC1 ZINC000580250755 505713264 /nfs/dbraw/zinc/71/32/64/505713264.db2.gz NOAHFRFHIPMUPF-UYAOXDASSA-N 3 0 361.599 3.457 20 0 FGADRP CC[NH+](CC)CCOc1ccccc1NC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000043993551 494334260 /nfs/dbraw/zinc/33/42/60/494334260.db2.gz IXBIDJGKHHNJMT-UHFFFAOYSA-N 2 0 374.529 3.156 20 0 FGADRP CC1CC[NH+](CCCNC(=O)NCCCC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000078948177 494383440 /nfs/dbraw/zinc/38/34/40/494383440.db2.gz IGTFIYTVTLMQOY-LJQANCHMSA-N 2 0 352.567 3.062 20 0 FGADRP CC[NH+](CC)Cc1cccc(CNC(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)c1 ZINC000079200990 494418021 /nfs/dbraw/zinc/41/80/21/494418021.db2.gz YNFNWGFPYASKST-OAQYLSRUSA-N 2 0 372.557 3.298 20 0 FGADRP C[NH+](C)CCN(Cc1ccccc1)C(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000079198067 494418139 /nfs/dbraw/zinc/41/81/39/494418139.db2.gz WCXNXTNTLXPQQU-SFHVURJKSA-N 2 0 374.554 3.124 20 0 FGADRP O=C(N[C@H](C[NH+]1CCCC1)c1ccccc1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000079310879 494434957 /nfs/dbraw/zinc/43/49/57/494434957.db2.gz JEZTURILJFONLJ-LEWJYISDSA-N 2 0 370.541 3.093 20 0 FGADRP C[C@H]1CCC[N@H+](CCCCNC(=O)NCc2cccc(C[NH+](C)C)c2)C1 ZINC000079393783 494445860 /nfs/dbraw/zinc/44/58/60/494445860.db2.gz DTLYKSXBBBWYBO-SFHVURJKSA-N 2 0 360.546 3.060 20 0 FGADRP CCCC[N@H+](C)CC1CC[NH+]([C@H](C)C(=O)N2CCc3ccccc3C2)CC1 ZINC000066960855 494446408 /nfs/dbraw/zinc/44/64/08/494446408.db2.gz ZVRCNSRWHFMNID-LJQANCHMSA-N 2 0 371.569 3.404 20 0 FGADRP CC[NH+]1CCC(CCNC(=O)NC2CC[NH+](CC3CCCC3)CC2)CC1 ZINC000073910822 494447560 /nfs/dbraw/zinc/44/75/60/494447560.db2.gz UXTVZDXCNUGGMU-UHFFFAOYSA-N 2 0 364.578 3.062 20 0 FGADRP COc1cccc(C[C@H]([NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)C2CC2)c1 ZINC000090523816 494478203 /nfs/dbraw/zinc/47/82/03/494478203.db2.gz WSOPXFOSSFBTDV-ZRBLBEILSA-N 2 0 372.553 3.374 20 0 FGADRP CC(C)[N@H+](C)CC1CCN(C(=O)NCc2ccc(C[NH+](C)C)cc2)CC1 ZINC000079576895 494484751 /nfs/dbraw/zinc/48/47/51/494484751.db2.gz WVYQDVSNZRQBKO-UHFFFAOYSA-N 2 0 360.546 3.010 20 0 FGADRP C[C@@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)c1ccc(-n2ccnc2)cc1 ZINC000090937085 494504500 /nfs/dbraw/zinc/50/45/00/494504500.db2.gz DRMNLXWXXDTTMO-QGZVFWFLSA-N 2 0 365.481 3.059 20 0 FGADRP CCCC[N@H+](C)CC1CCN(C(=O)NC[C@@H](C)C[NH+]2CCCCC2)CC1 ZINC000079688444 494508521 /nfs/dbraw/zinc/50/85/21/494508521.db2.gz AAKSDALZISRVNP-LJQANCHMSA-N 2 0 366.594 3.262 20 0 FGADRP C[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)[NH+]1CCCCCC1 ZINC000079710119 494512543 /nfs/dbraw/zinc/51/25/43/494512543.db2.gz RMZASWFNNBIZFW-SBHAEUEKSA-N 2 0 357.542 3.420 20 0 FGADRP C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000056503511 494516846 /nfs/dbraw/zinc/51/68/46/494516846.db2.gz FXWKIGPZYNSPGJ-RBUKOAKNSA-N 2 0 372.557 3.071 20 0 FGADRP CC[C@@H](C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)[NH+](CC)CC ZINC000574237727 505726919 /nfs/dbraw/zinc/72/69/19/505726919.db2.gz UREYGUHRULNIOU-WMZOPIPTSA-N 2 0 351.560 3.197 20 0 FGADRP C[C@H]1C[C@@H](NC(=O)NCC2([NH+](C)C)CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000080056165 494577673 /nfs/dbraw/zinc/57/76/73/494577673.db2.gz LNNJMSQVJDOQIO-ICSRJNTNSA-N 2 0 372.557 3.213 20 0 FGADRP CC[NH+]1CCN(c2ccc(C[NH2+][C@H](c3cccnc3)C(C)C)cn2)CC1 ZINC000091286996 494578263 /nfs/dbraw/zinc/57/82/63/494578263.db2.gz NEXDIOMBHBDYAP-NRFANRHFSA-N 2 0 353.514 3.105 20 0 FGADRP CC(C)[N@H+](C)CC1CCN(C(=O)NC[C@H](C2CCCCC2)[NH+](C)C)CC1 ZINC000056864302 494579014 /nfs/dbraw/zinc/57/90/14/494579014.db2.gz FPNBGZZPDUGOCZ-HXUWFJFHSA-N 2 0 366.594 3.259 20 0 FGADRP CC[C@@H]([NH2+]C[C@H](C)CN1CC[NH+](C)CC1)c1ccc(Br)cc1 ZINC000121070931 494580075 /nfs/dbraw/zinc/58/00/75/494580075.db2.gz KQJXPYDFYLYZRS-MAUKXSAKSA-N 2 0 368.363 3.373 20 0 FGADRP COc1ccccc1[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1)C1CCCC1 ZINC000091333549 494583684 /nfs/dbraw/zinc/58/36/84/494583684.db2.gz AMIBHMKXAGCKQX-RXVVDRJESA-N 2 0 373.541 3.104 20 0 FGADRP C[N@@H+]1CCCN(CCC[NH2+][C@@H]2CCc3c2cccc3Br)CC1 ZINC000091333627 494584048 /nfs/dbraw/zinc/58/40/48/494584048.db2.gz CSBVSOOTKDMKFD-GOSISDBHSA-N 2 0 366.347 3.054 20 0 FGADRP CCCC[NH+]1CCC(NC(=O)NCC2CC[NH+](CCC(C)C)CC2)CC1 ZINC000080106847 494599576 /nfs/dbraw/zinc/59/95/76/494599576.db2.gz BXFPOYXUKQULHA-UHFFFAOYSA-N 2 0 366.594 3.308 20 0 FGADRP CC1CC[NH+](CCCCNC(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)CC1 ZINC000107833753 494609074 /nfs/dbraw/zinc/60/90/74/494609074.db2.gz OENGGHZZYBGRHP-HXUWFJFHSA-N 2 0 364.578 3.158 20 0 FGADRP C[C@@H]1C[C@H](NC(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000080161649 494619629 /nfs/dbraw/zinc/61/96/29/494619629.db2.gz DYTCHRQKVKHOJN-WLRLJWMZSA-N 2 0 372.557 3.212 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)c1ccco1 ZINC000067709607 494620871 /nfs/dbraw/zinc/62/08/71/494620871.db2.gz LZIKHVLNHLSZBC-RBUKOAKNSA-N 2 0 372.513 3.265 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N(C)C[C@H]1CCC[N@H+](C)C1)c1ccsc1 ZINC000115796604 494626230 /nfs/dbraw/zinc/62/62/30/494626230.db2.gz VYNCROKJFJGMBH-FUHWJXTLSA-N 2 0 366.575 3.114 20 0 FGADRP CCCC[N@H+](C)C[C@@H](C)NC(=O)N[C@@H](C)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000580321972 505732232 /nfs/dbraw/zinc/73/22/32/505732232.db2.gz KZKQFCMXZHGGRN-DYXWJJEUSA-N 2 0 374.573 3.317 20 0 FGADRP CC1(C)CC(NC(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC(C)(C)[NH2+]1 ZINC000057152606 494658381 /nfs/dbraw/zinc/65/83/81/494658381.db2.gz WAYFGNXGWQHPTA-SFHVURJKSA-N 2 0 357.542 3.324 20 0 FGADRP CC[C@H]1C[C@H](C)C[N@@H+]1CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000075022649 494675893 /nfs/dbraw/zinc/67/58/93/494675893.db2.gz KLXIDJYUNXKABF-UWJYYQICSA-N 2 0 357.542 3.196 20 0 FGADRP C[NH+](C)[C@H](CNC(=O)C1CC[NH+](Cc2ccccc2)CC1)c1cccs1 ZINC000047302658 494677398 /nfs/dbraw/zinc/67/73/98/494677398.db2.gz TYEPDIKMTQCIFP-LJQANCHMSA-N 2 0 371.550 3.379 20 0 FGADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)NCC1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000057279937 494702003 /nfs/dbraw/zinc/70/20/03/494702003.db2.gz RERXCENPZNVAPW-PRJVBOEPSA-N 2 0 372.557 3.199 20 0 FGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@H](C)c2cc(Cl)ccc2OC)CC1 ZINC000121355670 494717307 /nfs/dbraw/zinc/71/73/07/494717307.db2.gz NEZPEPJWFGPOBF-JKSUJKDBSA-N 2 0 353.938 3.273 20 0 FGADRP C[C@H]([NH2+]CCCN1CC[N@H+](C)C[C@@H]1c1ccccc1)c1ccc(F)cn1 ZINC000092738673 494733136 /nfs/dbraw/zinc/73/31/36/494733136.db2.gz UEEFWXBRXIEOGD-LAUBAEHRSA-N 2 0 356.489 3.250 20 0 FGADRP C[C@H]([NH2+]CCCC[NH+]1CCN(Cc2ccccc2)CC1)c1cccnc1 ZINC000092739814 494734424 /nfs/dbraw/zinc/73/44/24/494734424.db2.gz ZEDIQDROPLDSAF-FQEVSTJZSA-N 2 0 352.526 3.330 20 0 FGADRP CC(C)[NH+](CCNC(=O)NCc1ccccc1C[N@@H+](C)C(C)C)C(C)C ZINC000047683527 494758754 /nfs/dbraw/zinc/75/87/54/494758754.db2.gz DLEZJQUMKSVMEJ-UHFFFAOYSA-N 2 0 362.562 3.445 20 0 FGADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H]2CCCOc3c(Cl)cc(C)cc32)CC1 ZINC000126553060 494787997 /nfs/dbraw/zinc/78/79/97/494787997.db2.gz NKIUWJZMBRCKAA-QFBILLFUSA-N 2 0 365.949 3.478 20 0 FGADRP CC[NH+](CC)[C@H](C)CNC(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000116529064 494808302 /nfs/dbraw/zinc/80/83/02/494808302.db2.gz SQDVFBGQYSTAAK-QZTJIDSGSA-N 2 0 360.546 3.242 20 0 FGADRP Cc1cc(Cl)c2c(c1)[C@@H]([NH2+]C[C@H](C)N1CC[NH+](C)CC1)CCCO2 ZINC000126661696 494813388 /nfs/dbraw/zinc/81/33/88/494813388.db2.gz YMGXLBZOKJSHAN-YJBOKZPZSA-N 2 0 351.922 3.088 20 0 FGADRP C[C@@H](C[NH2+][C@@H]1CCCOc2cc3c(cc21)CCCC3)N1CC[NH+](C)CC1 ZINC000126660239 494813679 /nfs/dbraw/zinc/81/36/79/494813679.db2.gz PHVZQQNNMHVNST-LAUBAEHRSA-N 2 0 357.542 3.005 20 0 FGADRP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3cc(C)c(OC(F)F)c(C)c3)C2)CC1 ZINC000093132845 494830658 /nfs/dbraw/zinc/83/06/58/494830658.db2.gz HPAZAQDCYSNQAE-SFHVURJKSA-N 2 0 367.484 3.117 20 0 FGADRP C[NH+](C)C1CCN(CC[NH2+][C@H]2CCCOc3cc4c(cc32)CCCC4)CC1 ZINC000126769608 494834821 /nfs/dbraw/zinc/83/48/21/494834821.db2.gz YXEATFUHHFLKKF-QFIPXVFZSA-N 2 0 371.569 3.395 20 0 FGADRP CC(C)[C@H](C[NH2+][C@H](C)c1ccccc1Br)N1CC[NH+](C)CC1 ZINC000132326939 494856898 /nfs/dbraw/zinc/85/68/98/494856898.db2.gz MNINSDOFLXNZQI-QAPCUYQASA-N 2 0 368.363 3.372 20 0 FGADRP O=C([C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)N1CC[NH+](C2CCCC2)CC1 ZINC000109338886 494862104 /nfs/dbraw/zinc/86/21/04/494862104.db2.gz GTAPBPBYIIDGRV-LJQANCHMSA-N 2 0 373.516 3.125 20 0 FGADRP CCOC[C@@H]1CCC[N@H+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)C1 ZINC000093419259 494890720 /nfs/dbraw/zinc/89/07/20/494890720.db2.gz UTZJAYZTACGFRE-LJQANCHMSA-N 2 0 359.558 3.466 20 0 FGADRP COC(=O)[C@H](C)Oc1ccc(C[NH+]2CCC(CCC[NH+](C)C)CC2)cc1 ZINC000093688716 494912318 /nfs/dbraw/zinc/91/23/18/494912318.db2.gz AKZBWZFZOZTFCF-KRWDZBQOSA-N 2 0 362.514 3.181 20 0 FGADRP CC1(C)Cc2cc(C[NH+]3CCC(OCC[NH+]4CCCC4)CC3)ccc2O1 ZINC000093735009 494914605 /nfs/dbraw/zinc/91/46/05/494914605.db2.gz WDLYMYBKAQDHTG-UHFFFAOYSA-N 2 0 358.526 3.477 20 0 FGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+][C@H](C)C2CCOCC2)CC1 ZINC000127298803 494924058 /nfs/dbraw/zinc/92/40/58/494924058.db2.gz UQRIQBUNJFJPCR-SJORKVTESA-N 2 0 363.521 3.433 20 0 FGADRP CC(C)n1cc([C@H](C)[NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)cn1 ZINC000132799881 494926595 /nfs/dbraw/zinc/92/65/95/494926595.db2.gz RXCJOVVPDVXLHN-KRWDZBQOSA-N 2 0 356.514 3.272 20 0 FGADRP C[C@H]1C[NH+](CCC2CC[NH+](Cc3c[nH]nc3C(C)(C)C)CC2)C[C@H](C)O1 ZINC000093844377 494927523 /nfs/dbraw/zinc/92/75/23/494927523.db2.gz HHNSYQANVSOJDV-IRXDYDNUSA-N 2 0 362.562 3.419 20 0 FGADRP C[C@H](C[NH2+][C@@H](Cc1cccc(F)c1)c1cccc(F)c1)N1CC[NH+](C)CC1 ZINC000127342683 494930868 /nfs/dbraw/zinc/93/08/68/494930868.db2.gz NJHPUUDZSCTMJH-VGSWGCGISA-N 2 0 373.491 3.474 20 0 FGADRP C[C@@H]([NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1)c1ccccc1N(C)C ZINC000093946715 494938521 /nfs/dbraw/zinc/93/85/21/494938521.db2.gz RSJCQOFLHXTZQK-QGZVFWFLSA-N 2 0 374.573 3.030 20 0 FGADRP C[C@H](CCCOc1ccccc1C(N)=O)[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000122234643 494944483 /nfs/dbraw/zinc/94/44/83/494944483.db2.gz SAIHCYHQPYAKMD-MRXNPFEDSA-N 2 0 361.530 3.186 20 0 FGADRP C[NH+](C)C1CCN(CC[NH2+][C@@H]2CCCOc3cc4c(cc32)CCC4)CC1 ZINC000122554300 494993411 /nfs/dbraw/zinc/99/34/11/494993411.db2.gz STAVCOKTCARZKC-OAQYLSRUSA-N 2 0 357.542 3.005 20 0 FGADRP CCC1(CNC(=O)NCCC[NH2+]C(C)C)CC[NH+](Cc2ccccc2)CC1 ZINC000580420818 505756015 /nfs/dbraw/zinc/75/60/15/505756015.db2.gz SKUHRBOFPULPJO-UHFFFAOYSA-N 2 0 374.573 3.366 20 0 FGADRP CC[N@H+](CCC1CC[NH+](Cc2cccc(C(=O)OC)n2)CC1)CC1CC1 ZINC000577575593 505756116 /nfs/dbraw/zinc/75/61/16/505756116.db2.gz QPVVGQYFQWNBTD-UHFFFAOYSA-N 2 0 359.514 3.202 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H](NC[C@@H](c2ccc(C)cc2)[NH+](C)C)[C@H](C)C1 ZINC000118964083 495059543 /nfs/dbraw/zinc/05/95/43/495059543.db2.gz ULHJETRTXULICO-HJNYFJLDSA-N 2 0 361.574 3.324 20 0 FGADRP C[C@H](CNC(=O)NCc1cccc(C[NH+](C)C)c1)[N@H+](C)Cc1ccccc1 ZINC000111453130 495076176 /nfs/dbraw/zinc/07/61/76/495076176.db2.gz ZPYKBMLDZHVXNY-GOSISDBHSA-N 2 0 368.525 3.068 20 0 FGADRP C[C@H](CNC(=O)NC1CC[NH+](C(C)(C)C)CC1)[N@H+](C)Cc1ccccc1 ZINC000111474121 495079868 /nfs/dbraw/zinc/07/98/68/495079868.db2.gz NWTSSQOJPOGMFS-QGZVFWFLSA-N 2 0 360.546 3.069 20 0 FGADRP Cc1ccc(CC[NH2+]Cc2ccccc2N(C)C2CC[NH+](C)CC2)cn1 ZINC000134134248 495111199 /nfs/dbraw/zinc/11/11/99/495111199.db2.gz UZFIELYHKHZEII-UHFFFAOYSA-N 2 0 352.526 3.253 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N1CCC([NH2+]C(C)C)CC1)c1ccccc1 ZINC000111800962 495112335 /nfs/dbraw/zinc/11/23/35/495112335.db2.gz MNFWRHSBPFEAFL-HXUWFJFHSA-N 2 0 360.546 3.242 20 0 FGADRP CC[NH+](CC)Cc1ccc(CNC(=O)N2CCC([NH2+]C(C)C)CC2)cc1 ZINC000111807917 495113794 /nfs/dbraw/zinc/11/37/94/495113794.db2.gz VJIQXBMQAGIDDM-UHFFFAOYSA-N 2 0 360.546 3.200 20 0 FGADRP CCN(C(=O)NC1CC[NH+](CC)CC1)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000134652563 495181490 /nfs/dbraw/zinc/18/14/90/495181490.db2.gz ZVYVLHLFCNIPQE-GHTZIAJQSA-N 2 0 372.557 3.338 20 0 FGADRP C[C@H](NC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)C(C)(C)C[NH+](C)C ZINC000119612123 495201678 /nfs/dbraw/zinc/20/16/78/495201678.db2.gz FWNZFNOWQCLSRS-KRWDZBQOSA-N 2 0 360.546 3.058 20 0 FGADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)N(C)[C@@H]1CC[NH+](CC)C[C@@H]1C ZINC000129161823 495205162 /nfs/dbraw/zinc/20/51/62/495205162.db2.gz CJECOLLCWWUJNZ-IPMKNSEASA-N 2 0 352.567 3.013 20 0 FGADRP C[N@@H+]1CCC[C@@H]2C[NH+](CCOc3cccc(Br)c3)CC[C@@H]21 ZINC000129159543 495205199 /nfs/dbraw/zinc/20/51/99/495205199.db2.gz CUYIHLDVASZGRX-PBHICJAKSA-N 2 0 353.304 3.244 20 0 FGADRP C[N@@H+](Cc1ccccc1)CC1CC[NH+](C[C@H](O)COCc2ccco2)CC1 ZINC000103228002 495206051 /nfs/dbraw/zinc/20/60/51/495206051.db2.gz MSMYGYJBIQIPOA-NRFANRHFSA-N 2 0 372.509 3.001 20 0 FGADRP CCC[N@@H+]1CC[C@@H](CNC(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)C1 ZINC000103236751 495207459 /nfs/dbraw/zinc/20/74/59/495207459.db2.gz XXSIUFGSVIDIMF-VQTJNVASSA-N 2 0 364.578 3.016 20 0 FGADRP C[N@H+](CCC(=O)Nc1ccccc1Br)C[C@H]1CCC[NH+](C)C1 ZINC000112657752 495218413 /nfs/dbraw/zinc/21/84/13/495218413.db2.gz ROBCIILNHGIMFU-AWEZNQCLSA-N 2 0 368.319 3.051 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NCC(C)(C)[NH2+][C@@H](C)c2ccccc2)[C@H](C)C1 ZINC000129272002 495220740 /nfs/dbraw/zinc/22/07/40/495220740.db2.gz VBRQDOJYBZFBMD-HBFSDRIKSA-N 2 0 374.573 3.488 20 0 FGADRP FC(F)(F)c1cccc(OCCC[N@@H+]2CC[C@@H](CN3CCOCC3)C2)c1 ZINC000129406848 495241086 /nfs/dbraw/zinc/24/10/86/495241086.db2.gz CPXDSFSQACXWNZ-MRXNPFEDSA-N 2 0 372.431 3.128 20 0 FGADRP CN(CC1CC[NH+](C)CC1)C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000103507289 495244497 /nfs/dbraw/zinc/24/44/97/495244497.db2.gz UXSILTGGWUOOBE-UHFFFAOYSA-N 2 0 372.557 3.156 20 0 FGADRP C[NH+](CCCC[N@@H+](C)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000120107110 495308434 /nfs/dbraw/zinc/30/84/34/495308434.db2.gz QHSHZYVNPRKMCE-GTYQWKCWSA-N 2 0 364.574 3.257 20 0 FGADRP CC[NH+](CC)Cc1ccc(CNC(=O)NC[C@H]2CCC[N@H+](CC)C2)cc1 ZINC000105093571 495335821 /nfs/dbraw/zinc/33/58/21/495335821.db2.gz CARCCDGHNAZIML-HXUWFJFHSA-N 2 0 360.546 3.060 20 0 FGADRP CC(C)Sc1ccccc1NC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000120290943 495344760 /nfs/dbraw/zinc/34/47/60/495344760.db2.gz XYIXUWZIRYCSBN-UHFFFAOYSA-N 2 0 352.548 3.144 20 0 FGADRP CC[N@H+](C)Cc1cccc(CNC(=O)NC[C@@H]2CCC[NH+](C(C)C)C2)c1 ZINC000105207316 495345032 /nfs/dbraw/zinc/34/50/32/495345032.db2.gz AEJASLMXYHBIKS-FQEVSTJZSA-N 2 0 360.546 3.058 20 0 FGADRP CC[N@H+](C)Cc1cccc(CNC(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)c1 ZINC000105207397 495345058 /nfs/dbraw/zinc/34/50/58/495345058.db2.gz SSWQCSMOLJCZGY-OAQYLSRUSA-N 2 0 372.557 3.298 20 0 FGADRP CCCC[N@H+](C)CC1CCN(C(=O)NCC[NH+](C)C2CCCC2)CC1 ZINC000105293927 495353476 /nfs/dbraw/zinc/35/34/76/495353476.db2.gz XHBNKIAWGQQCFS-UHFFFAOYSA-N 2 0 352.567 3.014 20 0 FGADRP Cc1nccn1CCCC[N@@H+]1CCC[C@@H](CNC(=O)c2ccccc2)C1 ZINC000124994881 495375785 /nfs/dbraw/zinc/37/57/85/495375785.db2.gz JGLVUJOMXPUFDJ-IBGZPJMESA-N 2 0 354.498 3.114 20 0 FGADRP CC(C)[NH+]1CCC(NC(=O)C[N@H+](C)CCc2cccc3ccccc32)CC1 ZINC000114456192 495376702 /nfs/dbraw/zinc/37/67/02/495376702.db2.gz BZWUGCQSWKYAOR-UHFFFAOYSA-N 2 0 367.537 3.303 20 0 FGADRP CC[NH+](CC)Cc1ccccc1CNC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000136577346 495387579 /nfs/dbraw/zinc/38/75/79/495387579.db2.gz XKHHZOJXYYFEMH-NHCUHLMSSA-N 2 0 372.557 3.154 20 0 FGADRP C[NH+](C)Cc1ccc(C(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)cc1 ZINC000114644616 495404029 /nfs/dbraw/zinc/40/40/29/495404029.db2.gz YLJXQYQQBHEZMQ-NRFANRHFSA-N 2 0 351.494 3.143 20 0 FGADRP CC[C@H]([NH2+]CC1CC[NH+](Cc2ccc(OC)cc2)CC1)c1cnn(C)c1 ZINC000120662655 495429657 /nfs/dbraw/zinc/42/96/57/495429657.db2.gz YCKMLNFRHICYEO-NRFANRHFSA-N 2 0 356.514 3.382 20 0 FGADRP C[N@H+](C[C@H](O)CN[C@@H]1CCOc2c(-c3ccccc3)cccc21)C1CC1 ZINC000580543615 505782696 /nfs/dbraw/zinc/78/26/96/505782696.db2.gz LMFBAAUUAIOWHC-WIYYLYMNSA-N 2 0 352.478 3.222 20 0 FGADRP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)C1 ZINC000130880698 495460927 /nfs/dbraw/zinc/46/09/27/495460927.db2.gz FGBVLTZPOCIWOJ-PMACEKPBSA-N 2 0 364.578 3.014 20 0 FGADRP CC(C)[C@H](CNC(=O)N1CCCC[C@H]1c1ncc[nH]1)[NH+]1CCC(C)CC1 ZINC000106529715 495463028 /nfs/dbraw/zinc/46/30/28/495463028.db2.gz RNJRYKZSPUNVDH-ROUUACIJSA-N 2 0 361.534 3.403 20 0 FGADRP C[C@@H]([NH2+]C[C@H](C)CN1CC[NH+](C)CC1)c1ccc(F)c(Br)c1 ZINC000120826457 495466087 /nfs/dbraw/zinc/46/60/87/495466087.db2.gz BTUZOECFSONCKU-UONOGXRCSA-N 2 0 372.326 3.122 20 0 FGADRP Cc1csc(N2CCC([NH2+]Cc3ccc(F)c(C[NH+](C)C)c3)CC2)n1 ZINC000120854630 495472009 /nfs/dbraw/zinc/47/20/09/495472009.db2.gz XVSOXANGOPCXCX-UHFFFAOYSA-N 2 0 362.518 3.411 20 0 FGADRP C[NH+](C)CCN1CCC([NH2+]Cc2ccc(-c3c(F)cccc3F)o2)CC1 ZINC000115611632 495521219 /nfs/dbraw/zinc/52/12/19/495521219.db2.gz XMTWZRYRDAJUSH-UHFFFAOYSA-N 2 0 363.452 3.340 20 0 FGADRP O=C([C@@H]1CCCCC[NH2+]1)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000580569169 505788500 /nfs/dbraw/zinc/78/85/00/505788500.db2.gz CAGDHRGXVOFXQE-RBBKRZOGSA-N 2 0 355.526 3.033 20 0 FGADRP CCC[NH+]1CCC(N(C)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)CC1 ZINC000577770137 505789873 /nfs/dbraw/zinc/78/98/73/505789873.db2.gz JDZAMOIZINXBIA-WIYYLYMNSA-N 2 0 372.557 3.165 20 0 FGADRP Cc1cccc2c1[C@@H](C)C[C@H]2[NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000179397865 495575947 /nfs/dbraw/zinc/57/59/47/495575947.db2.gz FQUHDMQVTNLRMU-FXAWDEMLSA-N 2 0 350.510 3.480 20 0 FGADRP C[C@@H]([NH2+]CCCC[NH+]1CCN(C)CC1)c1ccc(F)c(Br)c1 ZINC000154350715 495588506 /nfs/dbraw/zinc/58/85/06/495588506.db2.gz OEXSBDCUBAIZAK-CQSZACIVSA-N 2 0 372.326 3.266 20 0 FGADRP CN1CC[NH+](CCCC[NH2+][C@H]2CCSc3ccc(Cl)cc32)CC1 ZINC000154379782 495599028 /nfs/dbraw/zinc/59/90/28/495599028.db2.gz KFVZSHFENVZUHH-KRWDZBQOSA-N 2 0 353.963 3.494 20 0 FGADRP Cc1cccc(CN(CC[NH+](C)C)C(=O)NC[C@H]2CC[N@@H+](CC(C)C)C2)c1 ZINC000150751247 495621653 /nfs/dbraw/zinc/62/16/53/495621653.db2.gz QFVCBVSMAYVICF-OAQYLSRUSA-N 2 0 374.573 3.046 20 0 FGADRP CCCC[NH+]1CCC(NC(=O)N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)CC1 ZINC000182576982 495622264 /nfs/dbraw/zinc/62/22/64/495622264.db2.gz GRZBQRBRWACTDA-ZWKOTPCHSA-N 2 0 364.578 3.203 20 0 FGADRP O=C([C@@H]1CCC[N@@H+]1Cc1ccccc1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000150769847 495628644 /nfs/dbraw/zinc/62/86/44/495628644.db2.gz RRHSYSAYOPYLRA-SFTDATJTSA-N 2 0 355.526 3.128 20 0 FGADRP C[C@H](CCNC(=O)N(CC[NH+](C)C)Cc1cccs1)[NH+]1CCCCC1 ZINC000182673504 495657629 /nfs/dbraw/zinc/65/76/29/495657629.db2.gz UAWOPIWBFINUPF-QGZVFWFLSA-N 2 0 366.575 3.086 20 0 FGADRP CC[C@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)c1cccc(OC)c1 ZINC000159138298 495668009 /nfs/dbraw/zinc/66/80/09/495668009.db2.gz MYWKKWOUGDVONJ-FQEVSTJZSA-N 2 0 354.498 3.083 20 0 FGADRP C[C@@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)[C@H](C)c1nc2ccccc2s1 ZINC000150976112 495698652 /nfs/dbraw/zinc/69/86/52/495698652.db2.gz UYOVTQMNSGQLDB-JKSUJKDBSA-N 2 0 360.571 3.404 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)N1CC[C@@H]([NH+]2CCCC2)C1)c1ccsc1 ZINC000171038126 495699342 /nfs/dbraw/zinc/69/93/42/495699342.db2.gz REBIIFBBOLAREY-MSOLQXFVSA-N 2 0 364.559 3.011 20 0 FGADRP [NH3+]CCc1ccccc1C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000568876562 505798625 /nfs/dbraw/zinc/79/86/25/505798625.db2.gz AHSPRBXOOQIMJY-UHFFFAOYSA-N 2 0 365.521 3.494 20 0 FGADRP C[NH+](C)CCN1CCC([NH2+][C@@H]2CCc3ccc(OC(F)(F)F)cc32)CC1 ZINC000151002958 495708169 /nfs/dbraw/zinc/70/81/69/495708169.db2.gz CUGIVXFLHPUUAT-GOSISDBHSA-N 2 0 371.447 3.188 20 0 FGADRP CCC[C@@H]([NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1)c1ccccn1 ZINC000159323242 495708979 /nfs/dbraw/zinc/70/89/79/495708979.db2.gz ZPZMKGPLIVCXOG-GOSISDBHSA-N 2 0 360.546 3.139 20 0 FGADRP C[C@@H]([NH3+])c1ccc(CNC(=O)c2ccccc2CC2CC[NH2+]CC2)cc1 ZINC000574548500 505799119 /nfs/dbraw/zinc/79/91/19/505799119.db2.gz DEAWDUYUVGKWQJ-MRXNPFEDSA-N 2 0 351.494 3.178 20 0 FGADRP CN(CCC[NH+](C)C)C(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000185804519 495731739 /nfs/dbraw/zinc/73/17/39/495731739.db2.gz OEMNJUKRRUUHIR-UHFFFAOYSA-N 2 0 360.546 3.156 20 0 FGADRP CC[N@H+](C)C[C@@H]1CCN(C[C@H](O)COc2cc(Cl)ccc2Cl)C1 ZINC000173902310 495739524 /nfs/dbraw/zinc/73/95/24/495739524.db2.gz NKLONAQDHHOQRK-ZFWWWQNUSA-N 2 0 361.313 3.007 20 0 FGADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000171159046 495749003 /nfs/dbraw/zinc/74/90/03/495749003.db2.gz BFQOBUWLGDNDHO-UHFFFAOYSA-N 2 0 372.557 3.154 20 0 FGADRP Cc1cc(C[NH2+]C(C)(C)CCN2CC[NH+](C)CC2)ccc1Br ZINC000185893581 495768573 /nfs/dbraw/zinc/76/85/73/495768573.db2.gz XNROONSZYVZQEU-UHFFFAOYSA-N 2 0 368.363 3.263 20 0 FGADRP COc1c(C)cnc(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)c1C ZINC000182984895 495784993 /nfs/dbraw/zinc/78/49/93/495784993.db2.gz TUOLNRVYQSSPCE-UHFFFAOYSA-N 2 0 361.530 3.031 20 0 FGADRP Cc1ccc(F)cc1C[NH+]1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000179976250 495807237 /nfs/dbraw/zinc/80/72/37/495807237.db2.gz PRZFOYSPZGEYAE-UHFFFAOYSA-N 2 0 363.521 3.050 20 0 FGADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000174148897 495837908 /nfs/dbraw/zinc/83/79/08/495837908.db2.gz WMUMMTIHHGGKRM-IBGZPJMESA-N 2 0 372.557 3.154 20 0 FGADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H](c2ccccc2)c2ccc(OC)cc2)CC1 ZINC000180118987 495866688 /nfs/dbraw/zinc/86/66/88/495866688.db2.gz BCYCNFKBXBEAFF-WMZHIEFXSA-N 2 0 367.537 3.400 20 0 FGADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)NCC(C)(C)[NH+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000174264594 495887087 /nfs/dbraw/zinc/88/70/87/495887087.db2.gz UWCPZISPQWPPET-OTWHNJEPSA-N 2 0 366.594 3.116 20 0 FGADRP CN(CCC[NH+](C)C)C(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000186191628 495891603 /nfs/dbraw/zinc/89/16/03/495891603.db2.gz IIZJZYHMQKNMAC-UHFFFAOYSA-N 2 0 360.546 3.156 20 0 FGADRP CCC[NH+]1CCC([N@H+](C)C[C@@H](O)COCc2ccccc2Cl)CC1 ZINC000177051163 495902123 /nfs/dbraw/zinc/90/21/23/495902123.db2.gz PNVFRLJDIVZLAH-GOSISDBHSA-N 2 0 354.922 3.024 20 0 FGADRP COc1ccc(C[NH+]2CCC(C[NH2+][C@@H](c3nccn3C)C3CC3)CC2)cc1 ZINC000183261088 495905145 /nfs/dbraw/zinc/90/51/45/495905145.db2.gz COHKYNBWDJGSOA-OAQYLSRUSA-N 2 0 368.525 3.382 20 0 FGADRP CN1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@H]1c1ccc(Cl)cc1 ZINC000571773783 505812127 /nfs/dbraw/zinc/81/21/27/505812127.db2.gz BQXRBXBMOUQBJV-ZWKOTPCHSA-N 2 0 354.841 3.163 20 0 FGADRP C[N@@H+]1CCCN(CCC[NH2+]Cc2ccc(Br)cc2Cl)CC1 ZINC000174354817 495925267 /nfs/dbraw/zinc/92/52/67/495925267.db2.gz LUBDIGFKDNALRI-UHFFFAOYSA-N 2 0 374.754 3.220 20 0 FGADRP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]CCc1c(C)nc2ccccn2c1=O ZINC000577903881 505815417 /nfs/dbraw/zinc/81/54/17/505815417.db2.gz PUQAMGOBWWUPNI-AZUAARDMSA-N 2 0 370.541 3.036 20 0 FGADRP CC[C@H](c1ccc(Cl)cc1)[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000171656274 495975813 /nfs/dbraw/zinc/97/58/13/495975813.db2.gz HXSHTMJNAFVHIT-GOSISDBHSA-N 2 0 351.922 3.181 20 0 FGADRP Cc1ccc(NC(=O)CC[NH2+][C@@H]2CCN([C@H](C)c3ccccc3)C2)nc1 ZINC000574625657 505818218 /nfs/dbraw/zinc/81/82/18/505818218.db2.gz RVEFNQBWWTWXFP-IEBWSBKVSA-N 2 0 352.482 3.144 20 0 FGADRP O=C(c1cccc(C[NH+]2CCCC2)c1)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000174537666 496000024 /nfs/dbraw/zinc/00/00/24/496000024.db2.gz FHYOYZUNFTWWMY-HXUWFJFHSA-N 2 0 355.526 3.230 20 0 FGADRP C[C@@H]([NH2+]Cc1ccc(C[NH+](C)C)cc1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000174580278 496019745 /nfs/dbraw/zinc/01/97/45/496019745.db2.gz XNALBTCOJQMUHZ-CQSZACIVSA-N 2 0 364.486 3.142 20 0 FGADRP C[C@H]1C[C@H](CCNC(=O)c2ccccc2CC[NH3+])C[N@@H+]1Cc1ccccc1 ZINC000571815026 505819627 /nfs/dbraw/zinc/81/96/27/505819627.db2.gz OUNRGADKHVGYDF-ICSRJNTNSA-N 2 0 365.521 3.218 20 0 FGADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H](C)c2cc(Cl)c(OC)cc2OC)CC1 ZINC000155717536 496045256 /nfs/dbraw/zinc/04/52/56/496045256.db2.gz DQMHKDYLQIELJM-HUUCEWRRSA-N 2 0 369.937 3.034 20 0 FGADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@H](C)c1cccc(OC(F)(F)F)c1 ZINC000186576077 496053718 /nfs/dbraw/zinc/05/37/18/496053718.db2.gz FPBMNXKKFLOITR-HUUCEWRRSA-N 2 0 359.436 3.262 20 0 FGADRP CCOc1ccc([C@H](C)[NH2+]C[C@H](C)N2CC[NH+](CC)CC2)cc1OCC ZINC000155742905 496053924 /nfs/dbraw/zinc/05/39/24/496053924.db2.gz BJVWSGILPDQWRB-ROUUACIJSA-N 2 0 363.546 3.161 20 0 FGADRP Cc1ccc(OC(F)F)c([C@H](C)[NH2+][C@@H](C)CCN2CC[NH+](C)CC2)c1 ZINC000186592611 496061592 /nfs/dbraw/zinc/06/15/92/496061592.db2.gz AXRVABMUAGLIIR-HOTGVXAUSA-N 2 0 355.473 3.273 20 0 FGADRP CC(C)[NH+]1CCC(NC(=O)N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000174688030 496063432 /nfs/dbraw/zinc/06/34/32/496063432.db2.gz XXIAVKYBCBWFQZ-HXUWFJFHSA-N 2 0 372.557 3.023 20 0 FGADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]C[C@@H](C)c1cccc(Br)c1 ZINC000186596145 496064625 /nfs/dbraw/zinc/06/46/25/496064625.db2.gz MHCUXEKEMOULRX-CVEARBPZSA-N 2 0 368.363 3.168 20 0 FGADRP C[NH+](C)CCOc1ccccc1C[NH2+]Cc1cncc(Br)c1 ZINC000186611065 496071493 /nfs/dbraw/zinc/07/14/93/496071493.db2.gz FDYJYDCWYZONMU-UHFFFAOYSA-N 2 0 364.287 3.074 20 0 FGADRP C[C@@H]1C[N@@H+](CCC2CC[NH+](Cc3cccc4nccn43)CC2)C[C@H](C)O1 ZINC000180633257 496078919 /nfs/dbraw/zinc/07/89/19/496078919.db2.gz JNYUSUHOYHDQRL-HDICACEKSA-N 2 0 356.514 3.046 20 0 FGADRP C[C@H]1CCC[C@H]([NH+]2CCC([NH2+]C3CCN(c4ncccn4)CC3)CC2)C1 ZINC000155902585 496102267 /nfs/dbraw/zinc/10/22/67/496102267.db2.gz QYMJRZRDNQFZDR-PXNSSMCTSA-N 2 0 357.546 3.078 20 0 FGADRP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000568987277 505824497 /nfs/dbraw/zinc/82/44/97/505824497.db2.gz VDDCOYJHRDDPFF-LJQANCHMSA-N 2 0 371.569 3.477 20 0 FGADRP Cc1ccc([C@@H](CNC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)[NH+]2CCCC2)o1 ZINC000177709622 496167476 /nfs/dbraw/zinc/16/74/76/496167476.db2.gz YMZNQZVTUPHHRH-UYAOXDASSA-N 2 0 373.541 3.496 20 0 FGADRP CC[C@@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)c1ccccc1F ZINC000180907206 496194646 /nfs/dbraw/zinc/19/46/46/496194646.db2.gz PPIOIZABLPDMEC-HXUWFJFHSA-N 2 0 357.473 3.358 20 0 FGADRP CN(CC[N@H+](C)CCOc1ccccc1C(F)(F)F)C1CC[NH+](C)CC1 ZINC000180930877 496205154 /nfs/dbraw/zinc/20/51/54/496205154.db2.gz RGOWNENCKLBRRM-UHFFFAOYSA-N 2 0 373.463 3.042 20 0 FGADRP O=C(NCCCCC[NH+]1CCCCC1)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000161618208 496209086 /nfs/dbraw/zinc/20/90/86/496209086.db2.gz ZBDRMRCZKIATLV-HXUWFJFHSA-N 2 0 364.578 3.303 20 0 FGADRP CC(C)[NH+]1CCC(NC(=O)NC[C@H](C2CC2)[N@H+](C)Cc2ccccc2)CC1 ZINC000187056400 496272973 /nfs/dbraw/zinc/27/29/73/496272973.db2.gz UESCYAGBMNXTID-OAQYLSRUSA-N 2 0 372.557 3.069 20 0 FGADRP COc1ccc(C(=O)Nc2cccc(CN3CC[C@@H]([NH3+])C[C@@H]3C)c2)cc1 ZINC000574700339 505835317 /nfs/dbraw/zinc/83/53/17/505835317.db2.gz NVLZGFXCHLJAGN-MAUKXSAKSA-N 2 0 353.466 3.259 20 0 FGADRP C[C@H]([NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc2c(c1)OCCCO2 ZINC000178036609 496297940 /nfs/dbraw/zinc/29/79/40/496297940.db2.gz GQCIQDHXRUBPRY-KSZLIROESA-N 2 0 362.514 3.388 20 0 FGADRP CC(C)C[N@@H+]1Cc2cccc(NC(=O)[C@H]3CCC[NH+]3C3CCOCC3)c2C1 ZINC000162157746 496305458 /nfs/dbraw/zinc/30/54/58/496305458.db2.gz INLHKBQPEACHPN-OAQYLSRUSA-N 2 0 371.525 3.240 20 0 FGADRP COc1ccc(C[NH+]2CCC(C[NH2+][C@H](C)c3cn(C)nc3C)CC2)cc1 ZINC000178157162 496351191 /nfs/dbraw/zinc/35/11/91/496351191.db2.gz XPDMEFHVTPMAPE-MRXNPFEDSA-N 2 0 356.514 3.300 20 0 FGADRP COc1c(C)cnc(CN(C)C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)c1C ZINC000178168064 496354093 /nfs/dbraw/zinc/35/40/93/496354093.db2.gz HQXDCUMDLMEPQB-QGZVFWFLSA-N 2 0 359.514 3.320 20 0 FGADRP COc1c(C)cnc(CN(C)C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)c1C ZINC000178168078 496354455 /nfs/dbraw/zinc/35/44/55/496354455.db2.gz HQXDCUMDLMEPQB-KRWDZBQOSA-N 2 0 359.514 3.320 20 0 FGADRP CC[C@H]([NH2+]CCCN1CC[NH+](C)CC1)c1cc(F)cc(Br)c1 ZINC000181418618 496386479 /nfs/dbraw/zinc/38/64/79/496386479.db2.gz SWDXBVPTKNBRHQ-KRWDZBQOSA-N 2 0 372.326 3.266 20 0 FGADRP COC(=O)[C@H](c1cccnc1)N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000157078364 496400989 /nfs/dbraw/zinc/40/09/89/496400989.db2.gz CTLUSEVMYQZEED-PXNSSMCTSA-N 2 0 359.514 3.272 20 0 FGADRP C[N@@H+]1CCC[C@@H]2C[NH+](C[C@H](O)COc3ccc(C(C)(C)C)cc3)CC[C@H]21 ZINC000162796697 496414063 /nfs/dbraw/zinc/41/40/63/496414063.db2.gz UJSBPJQXZPIVSN-SLYNCCJLSA-N 2 0 360.542 3.140 20 0 FGADRP C[C@@H](OC[C@@H](O)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1)c1ccc(Cl)cc1 ZINC000162820779 496418169 /nfs/dbraw/zinc/41/81/69/496418169.db2.gz MEJMZKUHMRWOGG-WSTLGDPDSA-N 2 0 366.933 3.195 20 0 FGADRP C[NH+](C)CCCC1CCN(C(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)CC1 ZINC000162841760 496420321 /nfs/dbraw/zinc/42/03/21/496420321.db2.gz OGEWKWCRZSLAFF-HXUWFJFHSA-N 2 0 364.578 3.014 20 0 FGADRP CC[NH+](CC)Cc1ccc(CNC(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)cc1 ZINC000175643439 496480148 /nfs/dbraw/zinc/48/01/48/496480148.db2.gz GUMGTNCQGQCJSQ-WOJBJXKFSA-N 2 0 360.546 3.200 20 0 FGADRP CC[NH+]1CCC(N(C)CC(=O)N[C@@H](C)c2cccc3ccccc32)CC1 ZINC000157486969 496486059 /nfs/dbraw/zinc/48/60/59/496486059.db2.gz RAGTUAIZGREIAL-KRWDZBQOSA-N 2 0 353.510 3.433 20 0 FGADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc(S(=O)(=O)C3CCCC3)cc2)C1 ZINC000163310806 496496811 /nfs/dbraw/zinc/49/68/11/496496811.db2.gz HTKJYCXHNLXZDQ-IRXDYDNUSA-N 2 0 364.555 3.395 20 0 FGADRP CC1CC[NH+]([C@@H](CNC(=O)[C@H](C[NH3+])c2ccccc2)c2cccs2)CC1 ZINC000178660576 496531409 /nfs/dbraw/zinc/53/14/09/496531409.db2.gz AQQMDQFOPPFYBZ-MOPGFXCFSA-N 2 0 371.550 3.380 20 0 FGADRP CCc1ccc([C@@H](CNC(=O)CC[C@H]([NH3+])c2ccccc2)[NH+](C)C)cc1 ZINC000163599534 496536272 /nfs/dbraw/zinc/53/62/72/496536272.db2.gz XSUTUABUCMEJLE-LEWJYISDSA-N 2 0 353.510 3.448 20 0 FGADRP CCC[N@H+](CC)CCNC(=O)N(C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000175781866 496543627 /nfs/dbraw/zinc/54/36/27/496543627.db2.gz YQNWSCWHFIRWGE-CTNGQTDRSA-N 2 0 374.573 3.413 20 0 FGADRP C[C@@H](CCNC(=O)NC1CC[NH+](C2CCCCC2)CC1)[NH+]1CCCCC1 ZINC000181890150 496588863 /nfs/dbraw/zinc/58/88/63/496588863.db2.gz AGJJNQFEWMEZFJ-SFHVURJKSA-N 2 0 364.578 3.347 20 0 FGADRP CC[N@H+](C)Cc1cccc(CNC(=O)NCC2(C[NH+](C)C)CCCC2)c1 ZINC000184967913 496604616 /nfs/dbraw/zinc/60/46/16/496604616.db2.gz XNXIFQFBOQXNBB-UHFFFAOYSA-N 2 0 360.546 3.060 20 0 FGADRP C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000158100356 496627458 /nfs/dbraw/zinc/62/74/58/496627458.db2.gz ZHIOMLWLAQWWCU-ZIAGYGMSSA-N 2 0 368.319 3.098 20 0 FGADRP C[C@H]1C[NH+](CCCC[NH2+]Cc2sccc2Br)C[C@H](C)O1 ZINC000185026379 496627804 /nfs/dbraw/zinc/62/78/04/496627804.db2.gz NNROJOIHYJGEQC-STQMWFEESA-N 2 0 361.349 3.490 20 0 FGADRP C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000158134458 496635682 /nfs/dbraw/zinc/63/56/82/496635682.db2.gz ULIMMLGCRQCRSK-KBPBESRZSA-N 2 0 357.420 3.354 20 0 FGADRP CSc1ccc([C@@H](C)[NH2+]Cc2ccnc(N3CC[NH+](C)CC3)c2)cc1 ZINC000173326216 496644441 /nfs/dbraw/zinc/64/44/41/496644441.db2.gz ZNXGZLWNYPRQEP-MRXNPFEDSA-N 2 0 356.539 3.406 20 0 FGADRP C[C@@H]([NH2+][C@H](C)c1ccccc1)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000182054140 496651728 /nfs/dbraw/zinc/65/17/28/496651728.db2.gz XVGIDGCSTIRONA-OPYAIIAOSA-N 2 0 351.494 3.116 20 0 FGADRP C[C@@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)c1cccc(Br)c1 ZINC000173387884 496669808 /nfs/dbraw/zinc/66/98/08/496669808.db2.gz QWRGLMNUFPHUMB-OAHLLOKOSA-N 2 0 368.363 3.373 20 0 FGADRP C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)c3coc(C[NH3+])c3)cc2)C1 ZINC000188068272 496669835 /nfs/dbraw/zinc/66/98/35/496669835.db2.gz YYVVZKFOFUNMPC-HOTGVXAUSA-N 2 0 355.482 3.146 20 0 FGADRP C[NH+](C)[C@H](CNC(=O)C[N@@H+]1CCC[C@@H]1c1cccs1)c1ccccc1 ZINC000182107804 496671925 /nfs/dbraw/zinc/67/19/25/496671925.db2.gz AGSGFORHWGVTLT-QZTJIDSGSA-N 2 0 357.523 3.304 20 0 FGADRP Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000166725215 496692004 /nfs/dbraw/zinc/69/20/04/496692004.db2.gz WMOLUPWSOIQBHJ-JLYLLQBASA-N 2 0 373.566 3.403 20 0 FGADRP C[NH+](C)CCOc1cc(C[NH2+][C@H]2CCCOc3cc(F)ccc32)ccn1 ZINC000182173736 496696864 /nfs/dbraw/zinc/69/68/64/496696864.db2.gz XTSCBPZZCOQANN-SFHVURJKSA-N 2 0 359.445 3.165 20 0 FGADRP CC(C)O[C@H]1C[C@H]([NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)C1(C)C ZINC000185220494 496708006 /nfs/dbraw/zinc/70/80/06/496708006.db2.gz IUSPGAIXYIYQAI-SFTDATJTSA-N 2 0 360.542 3.325 20 0 FGADRP COc1ccc([C@@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CC[C@H](O)C2)cc1F ZINC000182270959 496724342 /nfs/dbraw/zinc/72/43/42/496724342.db2.gz SDQDTXYNEZCLDL-BEFAXECRSA-N 2 0 358.457 3.252 20 0 FGADRP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCC(NC(=O)Nc2ccc(F)cc2)CC1 ZINC000268560197 496735199 /nfs/dbraw/zinc/73/51/99/496735199.db2.gz OUUSQDNQBZIMAP-IBGZPJMESA-N 2 0 362.493 3.286 20 0 FGADRP CSc1ccccc1[C@@H](C)[NH2+]Cc1cccnc1N1CC[NH+](C)CC1 ZINC000194868640 496742411 /nfs/dbraw/zinc/74/24/11/496742411.db2.gz ZFTZHYYZZWPRRE-MRXNPFEDSA-N 2 0 356.539 3.406 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C[C@@H](O)COCc2cccs2)C1 ZINC000246993850 496745383 /nfs/dbraw/zinc/74/53/83/496745383.db2.gz OJWXLTDPNLAXIS-GUDVDZBRSA-N 2 0 366.571 3.212 20 0 FGADRP C[C@@H]1CCCN(C(C)(C)C[NH2+][C@@H]2CCN(Cc3ccccn3)C[C@H]2C)C1 ZINC000246997371 496746594 /nfs/dbraw/zinc/74/65/94/496746594.db2.gz KNYQOTRMZBPFNF-SFHLNBCPSA-N 2 0 358.574 3.392 20 0 FGADRP COc1ccc(C[NH+]2CCC(C[NH2+][C@@H]3C[C@H](C)[N@H+](C)C[C@@H]3C)CC2)cc1 ZINC000247026902 496756486 /nfs/dbraw/zinc/75/64/86/496756486.db2.gz NHDIJKSOXAQBRU-NPPFBWRTSA-N 3 0 359.558 3.226 20 0 FGADRP CCN(C)c1ccc(CNc2cc(CN3CCOCC3)ccc2C)cn1 ZINC000191437318 496762761 /nfs/dbraw/zinc/76/27/61/496762761.db2.gz MWZAGASLOXABCO-UHFFFAOYSA-N 2 0 354.498 3.290 20 0 FGADRP CC[NH+](CC)Cc1ccc(NC(=O)c2ccnc(OCC[NH+](C)C)c2)cc1 ZINC000188371199 496766720 /nfs/dbraw/zinc/76/67/20/496766720.db2.gz YDZBOERATGWARN-UHFFFAOYSA-N 2 0 370.497 3.116 20 0 FGADRP C[C@@H]1C[C@@H]([NH2+]CCCC[NH+]2C[C@@H](C)O[C@H](C)C2)CN1Cc1ccccc1 ZINC000247069346 496769537 /nfs/dbraw/zinc/76/95/37/496769537.db2.gz QBSRLDBTBSABAD-NXLVEIQXSA-N 2 0 359.558 3.128 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCc1nnc2n1CCCCC2 ZINC000268748620 496772868 /nfs/dbraw/zinc/77/28/68/496772868.db2.gz ISLSTFOLDCLMII-QUCCMNQESA-N 2 0 367.541 3.047 20 0 FGADRP Cc1ncc([C@H](C)[NH2+]CCCN2CC[N@H+](C)C[C@H]2c2ccccc2)c(C)n1 ZINC000268784384 496784235 /nfs/dbraw/zinc/78/42/35/496784235.db2.gz AWUNYDMIWHHNOA-JTSKRJEESA-N 2 0 367.541 3.123 20 0 FGADRP CC[C@H](C(=O)N1CCC([NH2+][C@H]2CCN(C)[C@@H](C)C2)CC1)c1ccccc1 ZINC000247122584 496785567 /nfs/dbraw/zinc/78/55/67/496785567.db2.gz UUFAIBCCHJKLLU-YYWHXJBOSA-N 2 0 357.542 3.244 20 0 FGADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N(C)[C@H](C)C1CC[NH+](C)CC1 ZINC000273371474 496786215 /nfs/dbraw/zinc/78/62/15/496786215.db2.gz GWKDJYMIYBWTLY-GOSISDBHSA-N 2 0 374.573 3.399 20 0 FGADRP COc1ccc2c(c1)[C@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)CCS2 ZINC000191513403 496792547 /nfs/dbraw/zinc/79/25/47/496792547.db2.gz QSNQUGOGMFBSNV-CRAIPNDOSA-N 2 0 350.528 3.059 20 0 FGADRP Cc1ccn2cc(C[NH2+][C@H](C)c3ccc(OCC[NH+](C)C)cc3)nc2c1 ZINC000268895607 496817767 /nfs/dbraw/zinc/81/77/67/496817767.db2.gz LIFXBLGXNJVADM-QGZVFWFLSA-N 2 0 352.482 3.434 20 0 FGADRP C[C@H](C[NH+]1CCCCCC1)NC(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000188548377 496827586 /nfs/dbraw/zinc/82/75/86/496827586.db2.gz YSIDSBCRQITVSE-GOSISDBHSA-N 2 0 364.578 3.205 20 0 FGADRP C[C@H]1CCC[C@@H]([NH+]2CCC([NH2+]CCN3CCc4ccccc4C3=O)CC2)C1 ZINC000191616977 496834087 /nfs/dbraw/zinc/83/40/87/496834087.db2.gz SCFNHLHYDNMMRY-GHTZIAJQSA-N 2 0 369.553 3.318 20 0 FGADRP C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC000247459900 496863195 /nfs/dbraw/zinc/86/31/95/496863195.db2.gz QJQRPXAVIHSRJL-XIBWBMNSSA-N 2 0 364.578 3.059 20 0 FGADRP C[C@@H](C[NH2+][C@H](Cc1ccccc1F)c1ccccc1)N1CC[NH+](C)CC1 ZINC000191723007 496867967 /nfs/dbraw/zinc/86/79/67/496867967.db2.gz DRLIOBAQUDYCFT-PGRDOPGGSA-N 2 0 355.501 3.335 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)C1CC[NH+](C2CC2)CC1)c1cccc(OC)c1 ZINC000195318501 496887074 /nfs/dbraw/zinc/88/70/74/496887074.db2.gz YDZJHCMCZRCEFW-OAQYLSRUSA-N 2 0 373.541 3.069 20 0 FGADRP CC(C)(C)[NH+]1CCC(NC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1 ZINC000191831425 496903427 /nfs/dbraw/zinc/90/34/27/496903427.db2.gz MPUGYQTZQMSXAM-NRFANRHFSA-N 2 0 359.558 3.130 20 0 FGADRP Cc1cccc(N2CCC([NH2+][C@@H]3CN(Cc4ccccc4)C[C@H]3C)CC2)n1 ZINC000247944553 496930528 /nfs/dbraw/zinc/93/05/28/496930528.db2.gz DKOOSTOFZUYZBG-XMSQKQJNSA-N 3 0 364.537 3.469 20 0 FGADRP C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2Cc2ccccc2)[C@@H]1c1ccccc1 ZINC000248141977 496961872 /nfs/dbraw/zinc/96/18/72/496961872.db2.gz YRNZPOOZNMKPDG-BDTNDASRSA-N 2 0 363.505 3.213 20 0 FGADRP CCNC(=O)C(C)(C)C[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000248402563 496997236 /nfs/dbraw/zinc/99/72/36/496997236.db2.gz NIOQFGQOFDNZPC-VAMGGRTRSA-N 2 0 357.542 3.039 20 0 FGADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)N[C@@H](C)[C@H]2CCC[NH+](C3CCC3)C2)C1 ZINC000248406396 496999983 /nfs/dbraw/zinc/99/99/83/496999983.db2.gz SICLVNLENVDZGT-OTWHNJEPSA-N 2 0 364.578 3.059 20 0 FGADRP Cc1ccc(CNC(=O)[C@H](C)N[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cc1 ZINC000248605524 497053974 /nfs/dbraw/zinc/05/39/74/497053974.db2.gz WELCGGRTYVMQNK-BJLQDIEVSA-N 2 0 357.542 3.242 20 0 FGADRP C[C@H](c1cccc2ccccc21)[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000574917383 505882534 /nfs/dbraw/zinc/88/25/34/505882534.db2.gz UWDUZZVGBIDOET-KGVIQGDOSA-N 2 0 365.521 3.481 20 0 FGADRP CC[NH+](CC)Cc1ccc(C(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)cc1 ZINC000270254157 497086671 /nfs/dbraw/zinc/08/66/71/497086671.db2.gz QTTBANZKBFSOFK-OAQYLSRUSA-N 2 0 357.542 3.332 20 0 FGADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)NC[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000248795614 497106104 /nfs/dbraw/zinc/10/61/04/497106104.db2.gz YTTQYTTYBLZRCV-RTWAWAEBSA-N 2 0 372.557 3.072 20 0 FGADRP c1ccc2c(c1)C[C@@H]([NH2+]Cc1ccc(OCC[NH+]3CCCC3)cc1)CO2 ZINC000236655999 497127414 /nfs/dbraw/zinc/12/74/14/497127414.db2.gz VIPWXXXQUJQAKA-HXUWFJFHSA-N 2 0 352.478 3.255 20 0 FGADRP CCC1CCC([NH2+]Cc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)CC1 ZINC000236663280 497128445 /nfs/dbraw/zinc/12/84/45/497128445.db2.gz WQYXRXZUODYMGH-SGDIKTSBSA-N 2 0 357.542 3.442 20 0 FGADRP CC1(C)CN(C(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[N@@H+]1Cc1ccccc1 ZINC000236750182 497141456 /nfs/dbraw/zinc/14/14/56/497141456.db2.gz AQRGQOCSCHHHQY-IHWFROFDSA-N 2 0 355.526 3.030 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)C[C@H](C)C1CC[NH2+]CC1)Cc1ccccc1 ZINC000236824795 497152338 /nfs/dbraw/zinc/15/23/38/497152338.db2.gz XQIGJVDELGIVQX-GHTZIAJQSA-N 2 0 359.558 3.082 20 0 FGADRP C[C@@H]1CN(CCC[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C[C@H](C)O1 ZINC000249044953 497153182 /nfs/dbraw/zinc/15/31/82/497153182.db2.gz VSGAQPBJBAJZIP-ZDOXGEDHSA-N 2 0 371.569 3.271 20 0 FGADRP COc1cccc([C@H]2[C@@H](NC(=O)Nc3ccnc(C)c3)CC[N@@H+]2C2CC2)c1 ZINC000249065470 497158303 /nfs/dbraw/zinc/15/83/03/497158303.db2.gz QDUFQSQUJVXTGP-PMACEKPBSA-N 2 0 366.465 3.498 20 0 FGADRP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@H]([NH3+])c1ccccc1 ZINC000236895653 497165356 /nfs/dbraw/zinc/16/53/56/497165356.db2.gz IBZVANBDCUZPTL-CTNGQTDRSA-N 2 0 351.494 3.057 20 0 FGADRP COc1ccccc1[C@H](O)C[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274887391 497191982 /nfs/dbraw/zinc/19/19/82/497191982.db2.gz ITEXHGAKQHNKQE-FBBABVLZSA-N 2 0 354.494 3.229 20 0 FGADRP Cc1csc(C2CC[NH+](CCCN3CC[NH+](C(C)C)CC3)CC2)n1 ZINC000192729220 497198416 /nfs/dbraw/zinc/19/84/16/497198416.db2.gz WXAFMIQHAARKDR-UHFFFAOYSA-N 2 0 350.576 3.047 20 0 FGADRP COc1ccccc1C[C@@H]([NH2+]CCCN1CC[NH+](C(C)C)CC1)C(C)C ZINC000192796057 497215736 /nfs/dbraw/zinc/21/57/36/497215736.db2.gz YIPUEAZWHYAPTP-OAQYLSRUSA-N 2 0 361.574 3.268 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)[C@@H]([NH3+])c2ccccc2)cc1 ZINC000237348569 497224103 /nfs/dbraw/zinc/22/41/03/497224103.db2.gz WEQYLQUZFQLZBQ-UTKZUKDTSA-N 2 0 351.494 3.377 20 0 FGADRP C[C@@]([NH3+])(C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1)c1ccccc1 ZINC000237366421 497226624 /nfs/dbraw/zinc/22/66/24/497226624.db2.gz HDTRJPAMLHIDLN-QFIPXVFZSA-N 2 0 351.494 3.163 20 0 FGADRP C[C@H](CCNC(=O)CC[C@@H]([NH3+])c1ccccc1)[N@H+](C)Cc1ccccc1 ZINC000237456086 497240416 /nfs/dbraw/zinc/24/04/16/497240416.db2.gz XAIRAYXSWWRYGA-WIYYLYMNSA-N 2 0 353.510 3.493 20 0 FGADRP COc1ccc([C@@H](CNC(=O)c2ccc(C[NH3+])cc2)[NH+]2CCCCC2)cc1 ZINC000237490752 497246056 /nfs/dbraw/zinc/24/60/56/497246056.db2.gz WEXGIZZNTISCIU-OAQYLSRUSA-N 2 0 367.493 3.111 20 0 FGADRP CC[NH+]1CCC(N[C@@H](C)C(=O)Nc2cc(C)c(Cl)cc2OC)CC1 ZINC000266075553 497248432 /nfs/dbraw/zinc/24/84/32/497248432.db2.gz DQDHYQUYVVQWJV-ZDUSSCGKSA-N 2 0 353.894 3.058 20 0 FGADRP CC(C)(C)C(=O)N1CCC([NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000192932966 497250656 /nfs/dbraw/zinc/25/06/56/497250656.db2.gz ZRUXUNMVOKRYIA-LJQANCHMSA-N 2 0 357.542 3.135 20 0 FGADRP C[C@H](CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)[C@H]1CCC[NH2+]C1 ZINC000237573516 497257421 /nfs/dbraw/zinc/25/74/21/497257421.db2.gz VUVZPHZVJQGVIF-AEFFLSMTSA-N 2 0 361.555 3.200 20 0 FGADRP O=C(C1CC[NH+](Cc2ccccc2)CC1)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000266215337 497281617 /nfs/dbraw/zinc/28/16/17/497281617.db2.gz YPWIZBQJQSQAEN-NRFANRHFSA-N 2 0 369.553 3.233 20 0 FGADRP [NH3+][C@H](CC(=O)N1CCN(Cc2ccc(Cl)cc2)CC1)c1ccccc1 ZINC000237840072 497300624 /nfs/dbraw/zinc/30/06/24/497300624.db2.gz FGAKAJXMWZHNSL-LJQANCHMSA-N 2 0 357.885 3.074 20 0 FGADRP c1cn2c(n1)CC[C@@H](C[NH2+][C@H]1C[C@H]3CC[C@@H](C1)[N@H+]3Cc1ccccc1)C2 ZINC000279010210 497302838 /nfs/dbraw/zinc/30/28/38/497302838.db2.gz SUTQMPGNAUMPSO-BURNTYAHSA-N 2 0 350.510 3.231 20 0 FGADRP Cc1ccc([C@@H](CNC(=O)CC[C@H]([NH3+])c2ccccc2)[NH+]2CCCC2)o1 ZINC000237877615 497305636 /nfs/dbraw/zinc/30/56/36/497305636.db2.gz FRWMBHNBRPPHDN-RBUKOAKNSA-N 2 0 355.482 3.321 20 0 FGADRP [NH3+][C@@H](CC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1)c1ccccc1 ZINC000237892749 497309560 /nfs/dbraw/zinc/30/95/60/497309560.db2.gz JRLGIQYVCMNIFZ-NRFANRHFSA-N 2 0 351.494 3.379 20 0 FGADRP [NH3+][C@@H](CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)c1ccccc1 ZINC000237909436 497312828 /nfs/dbraw/zinc/31/28/28/497312828.db2.gz IVTDFWWLTJDTNB-IBGZPJMESA-N 2 0 355.507 3.264 20 0 FGADRP [NH3+]Cc1ccc(C(=O)NC[C@H](c2cccc(Cl)c2)[NH+]2CCCC2)cc1 ZINC000237969274 497320812 /nfs/dbraw/zinc/32/08/12/497320812.db2.gz KLGBYNUMZOFCFL-LJQANCHMSA-N 2 0 357.885 3.366 20 0 FGADRP CCCN(CCC[NH+](C)C)C(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000190021751 497328003 /nfs/dbraw/zinc/32/80/03/497328003.db2.gz FHOZNIALHXWROS-UHFFFAOYSA-N 2 0 366.594 3.403 20 0 FGADRP O=C(NCc1ccccc1C[NH+]1CCCCC1)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000238029746 497330667 /nfs/dbraw/zinc/33/06/67/497330667.db2.gz YCFANYNJZIFPAJ-YYWHXJBOSA-N 2 0 355.526 3.209 20 0 FGADRP C/C=C\c1ccc(OC[C@H](O)C[NH+]2CCC(n3ccnc3)CC2)c(OC)c1 ZINC000254929830 497353057 /nfs/dbraw/zinc/35/30/57/497353057.db2.gz LTWWTVNAZOSUNS-ZRHASKPBSA-N 2 0 371.481 3.002 20 0 FGADRP CC[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)c1ccc(OC)c(OC)c1 ZINC000271551741 497381209 /nfs/dbraw/zinc/38/12/09/497381209.db2.gz VAJVLGIUQDUMRE-FHWLQOOXSA-N 2 0 362.514 3.122 20 0 FGADRP C[C@H](CNC(=O)NC1CC[NH+](C2CCCCC2)CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000245424958 497398460 /nfs/dbraw/zinc/39/84/60/497398460.db2.gz SQUPBNDXJDYLNM-QZTJIDSGSA-N 2 0 364.578 3.203 20 0 FGADRP C[C@@H](C(=O)Nc1cccc2ncccc21)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000245443333 497409891 /nfs/dbraw/zinc/40/98/91/497409891.db2.gz IRSNYNKAEYNOOJ-DLBZAZTESA-N 2 0 354.498 3.368 20 0 FGADRP C[C@H]1C[C@@H]1c1ccc(C[NH+]2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)o1 ZINC000572167052 505905360 /nfs/dbraw/zinc/90/53/60/505905360.db2.gz OLVJPDGOBNVKFA-PXNSSMCTSA-N 2 0 373.541 3.217 20 0 FGADRP COc1ccc(C[NH2+]CC2=CC[N@H+](C)CC2)cc1OCc1cccnc1 ZINC000271773432 497445464 /nfs/dbraw/zinc/44/54/64/497445464.db2.gz CDAOPOBORGPWRF-UHFFFAOYSA-N 2 0 353.466 3.021 20 0 FGADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H](C)CC(=O)Nc2ccc(Br)cc2)C1 ZINC000261765770 497447271 /nfs/dbraw/zinc/44/72/71/497447271.db2.gz GFGYVOHUDXHGOV-ZIAGYGMSSA-N 2 0 368.319 3.098 20 0 FGADRP C[C@]1(C[NH3+])CC[N@H+](CCC(=O)Nc2ccccc2Oc2ccccc2)C1 ZINC000261828897 497458128 /nfs/dbraw/zinc/45/81/28/497458128.db2.gz YQJRGNOOFMODSS-OAQYLSRUSA-N 2 0 353.466 3.478 20 0 FGADRP COc1ccc([C@@H](C)C[NH+]2CCN(C3CC[NH+](C(C)C)CC3)CC2)cc1 ZINC000271815323 497458895 /nfs/dbraw/zinc/45/88/95/497458895.db2.gz MMZJRSZUZHDNJJ-IBGZPJMESA-N 2 0 359.558 3.289 20 0 FGADRP C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]CC1=CC[N@H+](C)CC1 ZINC000271842347 497467489 /nfs/dbraw/zinc/46/74/89/497467489.db2.gz GXWFFPHPXUEADM-CYBMUJFWSA-N 2 0 366.303 3.018 20 0 FGADRP CN(Cc1cscn1)Cc1cccc(NC(=O)CC[C@@H]2CC[NH2+]C2)c1 ZINC000261908370 497473650 /nfs/dbraw/zinc/47/36/50/497473650.db2.gz WBIJCWHQZPMXIV-OAHLLOKOSA-N 2 0 358.511 3.103 20 0 FGADRP C[NH2+]CCC1CC[NH+]([C@@H](C)C(=O)N(C)Cc2c(F)cccc2Cl)CC1 ZINC000262002098 497489693 /nfs/dbraw/zinc/48/96/93/497489693.db2.gz QDRRWTKDKDLPJJ-AWEZNQCLSA-N 2 0 369.912 3.148 20 0 FGADRP COc1cc(CN(CC[NH3+])CCc2ccccc2)c(SC)cc1OC ZINC000262067386 497503289 /nfs/dbraw/zinc/50/32/89/497503289.db2.gz RTCAZUGYJMSKHG-UHFFFAOYSA-N 2 0 360.523 3.429 20 0 FGADRP C[C@@]1(C[N@@H+]2CCC[C@@H](Nc3cccc(Br)c3)C2)CC[NH2+]C1 ZINC000262080890 497505094 /nfs/dbraw/zinc/50/50/94/497505094.db2.gz TTZSGCKVBILMTH-IAGOWNOFSA-N 2 0 352.320 3.325 20 0 FGADRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCC(C[NH+]3CCCC3)CC2)C1 ZINC000193872894 497508507 /nfs/dbraw/zinc/50/85/07/497508507.db2.gz IHYOFTBBCKBEJB-GOSISDBHSA-N 2 0 364.578 3.014 20 0 FGADRP C[C@@H]1CC[N@H+](CC(=O)N2c3ccccc3CC[C@H]2C)C[C@H]1n1ccnc1 ZINC000245706986 497510875 /nfs/dbraw/zinc/51/08/75/497510875.db2.gz SFCNCYKKBPSQIB-MBOZVWFJSA-N 2 0 352.482 3.134 20 0 FGADRP C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)[C@H]([NH3+])Cc3ccccc3)cc2)C1 ZINC000262169440 497519230 /nfs/dbraw/zinc/51/92/30/497519230.db2.gz QGILKMIGPBSXKH-XMSQKQJNSA-N 2 0 365.521 3.105 20 0 FGADRP CC1(C)CC(NC(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)CC(C)(C)[NH2+]1 ZINC000193923257 497520847 /nfs/dbraw/zinc/52/08/47/497520847.db2.gz LDFNDWMIYKZIIW-GOSISDBHSA-N 2 0 372.557 3.117 20 0 FGADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)[C@H]([NH3+])c2ccccc2)cc1 ZINC000262202390 497523785 /nfs/dbraw/zinc/52/37/85/497523785.db2.gz WEQYLQUZFQLZBQ-LAUBAEHRSA-N 2 0 351.494 3.377 20 0 FGADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+] ZINC000262234675 497527410 /nfs/dbraw/zinc/52/74/10/497527410.db2.gz HFHSVMFECXHLQW-AGXSTUJCSA-N 2 0 357.542 3.297 20 0 FGADRP Cc1ccc([C@@H](CNC(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])[NH+]2CCCC2)cc1 ZINC000262253987 497530006 /nfs/dbraw/zinc/53/00/06/497530006.db2.gz IVLMQOFDHACFBR-BJOMATTFSA-N 2 0 369.553 3.402 20 0 FGADRP C[N@@H+]1CCC[C@H](CNC2=[NH+]CCCN2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000262277939 497533304 /nfs/dbraw/zinc/53/33/04/497533304.db2.gz KDRXWUVVQJBRPN-ZBFHGGJFSA-N 2 0 354.420 3.027 20 0 FGADRP CC(C)[C@H](C[NH2+][C@@H](C)c1cc(Br)cs1)N1CC[NH+](C)CC1 ZINC000193964314 497534174 /nfs/dbraw/zinc/53/41/74/497534174.db2.gz VBZRYPBZKNIIAE-ZFWWWQNUSA-N 2 0 374.392 3.433 20 0 FGADRP CC[NH+](CC)CCOc1ccccc1NC(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+] ZINC000262306558 497536875 /nfs/dbraw/zinc/53/68/75/497536875.db2.gz BJSOCDAPIJSDQK-JOIKAWEESA-N 2 0 373.541 3.499 20 0 FGADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+] ZINC000262329294 497540933 /nfs/dbraw/zinc/54/09/33/497540933.db2.gz RKEALKDXSUWRRW-WHSGIHJSSA-N 2 0 357.542 3.250 20 0 FGADRP COc1ccc(C[NH+]2CCC(C[NH2+][C@@H]3[C@H]4CCO[C@H]4C34CCC4)CC2)cc1 ZINC000194009364 497547220 /nfs/dbraw/zinc/54/72/20/497547220.db2.gz QDVJDEPJDHHTPE-YPAWHYETSA-N 2 0 370.537 3.454 20 0 FGADRP CC(C)n1nccc1C[NH2+]Cc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000279806134 497547225 /nfs/dbraw/zinc/54/72/25/497547225.db2.gz FFWNUSFCLQOTPR-HDICACEKSA-N 2 0 356.514 3.363 20 0 FGADRP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)[C@H]2CC[NH2+][C@@H](C)C2)C1 ZINC000262397694 497549102 /nfs/dbraw/zinc/54/91/02/497549102.db2.gz NPXKDHXMPWMTRP-YRXWBPOGSA-N 2 0 357.542 3.169 20 0 FGADRP CCO[C@@H]1C[C@H]([NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)C12CCCC2 ZINC000245861253 497553347 /nfs/dbraw/zinc/55/33/47/497553347.db2.gz HVVRBFRWCZSLIJ-YSTOQKLRSA-N 2 0 350.547 3.082 20 0 FGADRP CCC(CC)(CNC(=O)c1csc(CC[NH3+])n1)[NH2+][C@@H](C)c1ccccc1 ZINC000262419402 497553819 /nfs/dbraw/zinc/55/38/19/497553819.db2.gz URWOZCCIMFIYQX-HNNXBMFYSA-N 2 0 374.554 3.284 20 0 FGADRP C[C@H](O)C[C@@H]1CCC[NH+]1Cc1ccccc1C[N@H+]1CCC[C@H]1C[C@H](C)O ZINC000245919532 497571218 /nfs/dbraw/zinc/57/12/18/497571218.db2.gz WQVSTJMVJXQRJO-GPHNJDIKSA-N 2 0 360.542 3.157 20 0 FGADRP Cc1nn(C)c2ncc(C[NH2+][C@H](C)[C@@H]3CC[N@H+](Cc4ccccc4)C3)cc12 ZINC000272232141 497572652 /nfs/dbraw/zinc/57/26/52/497572652.db2.gz URPGBWVNWFIPSJ-OXQOHEQNSA-N 2 0 363.509 3.277 20 0 FGADRP C[C@H](NC(=O)c1sccc1C[NH+](C)C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272243539 497574437 /nfs/dbraw/zinc/57/44/37/497574437.db2.gz HAVOOSKRZRCXMG-FUHWJXTLSA-N 2 0 371.550 3.450 20 0 FGADRP C[C@@H](NC(=O)c1sccc1C[NH+](C)C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272243541 497574621 /nfs/dbraw/zinc/57/46/21/497574621.db2.gz HAVOOSKRZRCXMG-SJLPKXTDSA-N 2 0 371.550 3.450 20 0 FGADRP C[NH+](Cc1cccc(C[N@H+](C)C[C@H]2CCCOC2)c1)C[C@@H]1CCCOC1 ZINC000245929565 497574992 /nfs/dbraw/zinc/57/49/92/497574992.db2.gz PLUHKUWFODIWDR-SZPZYZBQSA-N 2 0 360.542 3.403 20 0 FGADRP CC(C)[NH+]1CCC(NC(=O)N[C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000272265299 497580819 /nfs/dbraw/zinc/58/08/19/497580819.db2.gz NBXLRXBIJGWRGO-ICSRJNTNSA-N 2 0 372.557 3.069 20 0 FGADRP CC(C)c1[nH+]c(CNc2cc(C(N)=O)ccc2C[NH+](C)C)c2ccccn21 ZINC000578329085 505915765 /nfs/dbraw/zinc/91/57/65/505915765.db2.gz UPRRXYNLDKRXSA-UHFFFAOYSA-N 2 0 365.481 3.230 20 0 FGADRP COc1ccccc1O[C@H](C)C[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000581125339 505915838 /nfs/dbraw/zinc/91/58/38/505915838.db2.gz OURWQDSWHRJYPV-RADWXHQJSA-N 2 0 368.477 3.308 20 0 FGADRP CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000262636329 497588921 /nfs/dbraw/zinc/58/89/21/497588921.db2.gz HSOFGBUPZRKNAS-MQVJKMGUSA-N 2 0 363.468 3.030 20 0 FGADRP [NH3+]CC1(CC(=O)NCC2CC[NH+](Cc3cccs3)CC2)CCCCC1 ZINC000262665891 497594466 /nfs/dbraw/zinc/59/44/66/497594466.db2.gz NHWNOVVDTNDAOM-UHFFFAOYSA-N 2 0 363.571 3.376 20 0 FGADRP Cc1ccc([C@H]([NH3+])C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000262670713 497595176 /nfs/dbraw/zinc/59/51/76/497595176.db2.gz RKPUTHRXXICXGV-YYWHXJBOSA-N 2 0 351.494 3.164 20 0 FGADRP Cc1ccc([C@@H]([NH3+])C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC000262666840 497595492 /nfs/dbraw/zinc/59/54/92/497595492.db2.gz PSZGLWHJHARPKG-OAQYLSRUSA-N 2 0 351.494 3.297 20 0 FGADRP Cc1ccc([C@H]([NH3+])C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000262670710 497595595 /nfs/dbraw/zinc/59/55/95/497595595.db2.gz RKPUTHRXXICXGV-UIFIKXQLSA-N 2 0 351.494 3.164 20 0 FGADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)NC[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000194184774 497596802 /nfs/dbraw/zinc/59/68/02/497596802.db2.gz YTTQYTTYBLZRCV-SFTDATJTSA-N 2 0 372.557 3.072 20 0 FGADRP C[C@H](C(=O)N(C)[C@H]1CCC[N@H+](Cc2ccccc2)C1)[C@H]([NH3+])c1ccccc1 ZINC000262674397 497597318 /nfs/dbraw/zinc/59/73/18/497597318.db2.gz TTWCDKHHJYCGTR-NYVOZVTQSA-N 2 0 365.521 3.446 20 0 FGADRP C[C@@H]1C[C@H](N(C)C(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[N@@H+]1Cc1ccccc1 ZINC000262676511 497597598 /nfs/dbraw/zinc/59/75/98/497597598.db2.gz SOVBVZNYXKSMGC-LVUFRCMMSA-N 2 0 369.553 3.419 20 0 FGADRP C[C@H](C(=O)NCC(F)(F)F)N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000246030546 497600302 /nfs/dbraw/zinc/60/03/02/497600302.db2.gz NOIBBHNIMBJWPQ-LSDHHAIUSA-N 2 0 363.468 3.030 20 0 FGADRP CCS(=O)(=O)C[C@H](C)[NH2+]Cc1ccc(C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000246062250 497608395 /nfs/dbraw/zinc/60/83/95/497608395.db2.gz RLKVEKYEYUZJQW-KURKYZTESA-N 2 0 366.571 3.077 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@H](CO)c2ccccc2Cl)[C@@H](C)C1 ZINC000581138201 505918550 /nfs/dbraw/zinc/91/85/50/505918550.db2.gz KITOXGAPAJZFHZ-ZWOKBUDYSA-N 2 0 368.949 3.143 20 0 FGADRP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)N(C)[C@@H]2CC[N@H+](C)C[C@H]2C)CC1 ZINC000246132478 497632438 /nfs/dbraw/zinc/63/24/38/497632438.db2.gz BBGRFBMUOVIIMV-LVCYWYKZSA-N 2 0 372.557 3.194 20 0 FGADRP C[NH+](C)[C@]1(CN[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CCSC1 ZINC000272467423 497637058 /nfs/dbraw/zinc/63/70/58/497637058.db2.gz ZUVIUEGWZWIPTE-BURNTYAHSA-N 2 0 359.583 3.209 20 0 FGADRP CC(C)[NH2+]C1CCN(C(=O)N[C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000272532337 497654241 /nfs/dbraw/zinc/65/42/41/497654241.db2.gz OXZDRZCCSABTGM-QUCCMNQESA-N 2 0 372.557 3.069 20 0 FGADRP C[NH+](C)Cc1ccsc1C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000268018484 497660185 /nfs/dbraw/zinc/66/01/85/497660185.db2.gz IOXWCZCZNBREKZ-UHFFFAOYSA-N 2 0 357.523 3.204 20 0 FGADRP CCN(C(=O)CCC1CC[NH2+]CC1)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000262959822 497666622 /nfs/dbraw/zinc/66/66/22/497666622.db2.gz KOVGWZHAKUJVAP-WIYYLYMNSA-N 2 0 357.542 3.450 20 0 FGADRP C[C@H](CC(=O)Nc1cccnc1Cl)[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC000276891604 497680854 /nfs/dbraw/zinc/68/08/54/497680854.db2.gz MEUBTQBPMMUBDO-CQSZACIVSA-N 2 0 352.910 3.164 20 0 FGADRP O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)N(Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000263017448 497682434 /nfs/dbraw/zinc/68/24/34/497682434.db2.gz ZMSWCKNATPFXFY-IPQPSQTFSA-N 2 0 373.566 3.140 20 0 FGADRP C[C@@H](C[NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1)c1ccccc1 ZINC000194564901 497706322 /nfs/dbraw/zinc/70/63/22/497706322.db2.gz WYIOUTTYPUTBNQ-IBGZPJMESA-N 2 0 365.521 3.406 20 0 FGADRP CCC[N@@H+]1CC[C@H](CNC(=O)N2CCC[C@@H](C[NH+]3CCCC[C@H]3C)C2)C1 ZINC000246367160 497709989 /nfs/dbraw/zinc/70/99/89/497709989.db2.gz LHLYEDDGIPZLGW-AQNXPRMDSA-N 2 0 364.578 3.014 20 0 FGADRP C[C@@H]1CC[N@H+](CCOc2ccc(NC(=O)[C@H]3CCCC[C@]3(C)[NH3+])cc2)C1 ZINC000263122447 497710459 /nfs/dbraw/zinc/71/04/59/497710459.db2.gz BAWCILLNFXKSPI-BSIFCXSSSA-N 2 0 359.514 3.253 20 0 FGADRP Cc1nc2ccccc2n1CCC[NH2+]C1CCN(c2nccs2)CC1 ZINC000272777930 497727463 /nfs/dbraw/zinc/72/74/63/497727463.db2.gz YTZQWJZXKBTDSP-UHFFFAOYSA-N 2 0 355.511 3.450 20 0 FGADRP COc1ccc([C@@H](C)[NH2+]Cc2ccc(C(=O)NCC[NH+](C)C)cc2)cc1C ZINC000272858938 497746030 /nfs/dbraw/zinc/74/60/30/497746030.db2.gz IQYNUMWYEAIXIJ-QGZVFWFLSA-N 2 0 369.509 3.146 20 0 FGADRP CCOc1cc(C[NH2+]CC2(O)CC[NH+](C(C)C)CC2)cc(Cl)c1OC ZINC000268423730 497746909 /nfs/dbraw/zinc/74/69/09/497746909.db2.gz MPESDYGCPNTGCD-UHFFFAOYSA-N 2 0 370.921 3.072 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccccc1 ZINC000246533958 497767160 /nfs/dbraw/zinc/76/71/60/497767160.db2.gz XWQOPLREEPZNLB-DFQSSKMNSA-N 2 0 360.546 3.194 20 0 FGADRP COc1cc(-c2nc(CN3CC[C@@H]4[C@H](CCC[N@@H+]4C)C3)cs2)ccc1O ZINC000246752328 497807944 /nfs/dbraw/zinc/80/79/44/497807944.db2.gz HHANRZRVIIBMNZ-NVXWUHKLSA-N 2 0 373.522 3.440 20 0 FGADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000246846234 497815904 /nfs/dbraw/zinc/81/59/04/497815904.db2.gz BVWMKNFTBAUHQP-WVDLQDBSSA-N 2 0 351.535 3.235 20 0 FGADRP Cc1ccc(NC(=[NH2+])NC[C@H]2CCC[N@H+](C)[C@@H]2c2cnn(C)c2)cc1C ZINC000364249541 497861284 /nfs/dbraw/zinc/86/12/84/497861284.db2.gz GXVWMNFUQFISMQ-APWZRJJASA-N 2 0 354.502 3.056 20 0 FGADRP CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)C[C@H]([NH3+])c1ccccc1 ZINC000578445464 505941564 /nfs/dbraw/zinc/94/15/64/505941564.db2.gz DKKNRRALQHLNGW-NRFANRHFSA-N 2 0 366.509 3.237 20 0 FGADRP CC(C)O[C@@H]1CC[NH+](Cc2cncc(C[N@H+]3CC[C@@H](OC(C)C)C3)c2)C1 ZINC000569481709 505945436 /nfs/dbraw/zinc/94/54/36/505945436.db2.gz OLWJVYCVZGFBBA-NHCUHLMSSA-N 2 0 361.530 3.080 20 0 FGADRP C[N@@H+]1CC[C@]2(CC[NH+](CCC(=O)Nc3ccccc3C(F)(F)F)C2)C1 ZINC000292169409 497908241 /nfs/dbraw/zinc/90/82/41/497908241.db2.gz PLIHPINDGMWOML-KRWDZBQOSA-N 2 0 355.404 3.062 20 0 FGADRP C[C@@H]1C[C@@H]([NH2+]CCCC[NH+]2CCN(Cc3ccccc3)CC2)c2nccn21 ZINC000296078211 497913619 /nfs/dbraw/zinc/91/36/19/497913619.db2.gz SLICKGRLZPGGBX-TZIWHRDSSA-N 2 0 367.541 3.077 20 0 FGADRP CC[NH+]1CCC(C[NH2+]C[C@H](O)COc2ccc(-c3ccccc3)cc2)CC1 ZINC000572393766 505958461 /nfs/dbraw/zinc/95/84/61/505958461.db2.gz WXBBESKHDVZOQM-QFIPXVFZSA-N 2 0 368.521 3.415 20 0 FGADRP Cn1nccc1[C@@H]1CCC[C@@H]([NH2+]CCCN2CCc3ccccc3C2)C1 ZINC000572350343 505947734 /nfs/dbraw/zinc/94/77/34/505947734.db2.gz DKNMXYFJIZZMBO-TZIWHRDSSA-N 2 0 352.526 3.484 20 0 FGADRP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N1CCC[NH+](Cc2ccccc2)C[C@H]1C ZINC000569493486 505948365 /nfs/dbraw/zinc/94/83/65/505948365.db2.gz SFHKCDOVAYEBFA-RTBURBONSA-N 2 0 360.546 3.021 20 0 FGADRP C[C@@H](CNC(=O)c1ccccc1CC1CC[NH2+]CC1)C[NH+]1CCCCC1 ZINC000572408709 505962156 /nfs/dbraw/zinc/96/21/56/505962156.db2.gz IXEMHCFLYAIEAW-SFHVURJKSA-N 2 0 357.542 3.081 20 0 FGADRP COC(=O)c1cc(C[NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)cn1C ZINC000578557325 505967000 /nfs/dbraw/zinc/96/70/00/505967000.db2.gz QFQOZZHNKJGKPH-UHFFFAOYSA-N 2 0 355.482 3.087 20 0 FGADRP C[C@@H](O)[C@@](C)(C[NH2+][C@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@H]1C)Cc1ccccc1 ZINC000364586970 498037269 /nfs/dbraw/zinc/03/72/69/498037269.db2.gz ZCPXJUJXXPQRFY-VBRDFVIOSA-N 2 0 374.569 3.095 20 0 FGADRP Cc1ccncc1CCC[NH2+][C@H](C)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000289308529 498099885 /nfs/dbraw/zinc/09/98/85/498099885.db2.gz RUQTVYKMNHIOBK-QGZVFWFLSA-N 2 0 367.493 3.331 20 0 FGADRP Cc1cc([C@@H](C)[NH2+]CCCN2CC[NH+](C)CC2)sc1Br ZINC000285478911 498100505 /nfs/dbraw/zinc/10/05/05/498100505.db2.gz OKYIMJMURJEFBZ-CYBMUJFWSA-N 2 0 360.365 3.107 20 0 FGADRP CC[NH+]1CCN(Cc2ccc(C[NH2+][C@@H]3CCOC4(CCC4)C3)cc2)CC1 ZINC000296597312 498114697 /nfs/dbraw/zinc/11/46/97/498114697.db2.gz YEYJRVSVLLUNHV-OAQYLSRUSA-N 2 0 357.542 3.015 20 0 FGADRP C[NH+](C)C[C@@H]1CCCCN1C(=O)[C@H]1CCn2c(cnc2C2CCCCC2)C1 ZINC000364732079 498118386 /nfs/dbraw/zinc/11/83/86/498118386.db2.gz XAFOWLZTMWOZRL-OALUTQOASA-N 2 0 372.557 3.436 20 0 FGADRP C[N@H+](C[C@@H](O)Cc1ccc(C(F)(F)F)cc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285560848 498129462 /nfs/dbraw/zinc/12/94/62/498129462.db2.gz RPCLRDHTXZOZQL-WFFDWFOESA-N 2 0 356.432 3.166 20 0 FGADRP COc1cccc(NC(=O)[C@H](c2ccccc2)[NH+]2CCC([C@H](C)[NH3+])CC2)c1 ZINC000578652619 505990091 /nfs/dbraw/zinc/99/00/91/505990091.db2.gz JOWIVMQLDPGVNE-KKSFZXQISA-N 2 0 367.493 3.434 20 0 FGADRP C[N@@H+]1CCC[C@@]2(CC[NH+](CCc3nc(-c4ccc(Cl)cc4)no3)C2)C1 ZINC000292950716 498208562 /nfs/dbraw/zinc/20/85/62/498208562.db2.gz KPRYCIAWUBAILO-LJQANCHMSA-N 2 0 360.889 3.350 20 0 FGADRP C[N@@H+]1CCN(CC[NH2+][C@@H]2CCc3c2cccc3Br)CC1(C)C ZINC000572562973 505997958 /nfs/dbraw/zinc/99/79/58/505997958.db2.gz JYIIMBLWEURGPN-QGZVFWFLSA-N 2 0 366.347 3.052 20 0 FGADRP C[C@]1([NH3+])CCCC[C@H]1C(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000569720729 506000723 /nfs/dbraw/zinc/00/07/23/506000723.db2.gz ROJPUFHVKJCKOQ-UNMCSNQZSA-N 2 0 369.553 3.409 20 0 FGADRP Cc1[nH+]c2ccccc2c(N2CC[C@@H]([NH+]3CCN(C)CC3)[C@H](C)C2)c1C ZINC000360384970 498270863 /nfs/dbraw/zinc/27/08/63/498270863.db2.gz JXWVOXMIWKGAQF-IIBYNOLFSA-N 2 0 352.526 3.314 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+][C@@H]2CC[NH+](C[C@H]3CCCO3)C[C@H]2C)C1 ZINC000360871161 498317412 /nfs/dbraw/zinc/31/74/12/498317412.db2.gz KTSSBQWHEWWVSC-PVIWCNJMSA-N 3 0 365.606 3.224 20 0 FGADRP C[C@H](C[NH+]1CCC(C(=O)NCCC[NH+]2CCCC2)CC1)c1ccccc1 ZINC000289858247 498326645 /nfs/dbraw/zinc/32/66/45/498326645.db2.gz QKJMQEKVDVLNCG-LJQANCHMSA-N 2 0 357.542 3.104 20 0 FGADRP COc1cc(CNCCC[N@H+](C)C(C)C)cc(OC)c1OCC(F)F ZINC000289861521 498327932 /nfs/dbraw/zinc/32/79/32/498327932.db2.gz VZHAUEWZNGIRBE-UHFFFAOYSA-N 2 0 360.445 3.168 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)N(C)CCC[NH+]1CCCC1 ZINC000282007370 498354511 /nfs/dbraw/zinc/35/45/11/498354511.db2.gz VRYQNRRKISXXSS-TZIWHRDSSA-N 2 0 372.557 3.024 20 0 FGADRP C[C@H]([NH2+]Cc1ccccc1OCC[NH+](C)C)c1ccccc1-n1ccnn1 ZINC000286328556 498365535 /nfs/dbraw/zinc/36/55/35/498365535.db2.gz XVAKGVAGEYKJAZ-KRWDZBQOSA-N 2 0 365.481 3.059 20 0 FGADRP COc1ccc(CC[C@@H](C)[NH2+]Cc2ccc(-n3ccnc3)nc2)cc1O ZINC000365244400 498370304 /nfs/dbraw/zinc/37/03/04/498370304.db2.gz DMHPASJNVFPQTJ-OAHLLOKOSA-N 2 0 352.438 3.092 20 0 FGADRP CCN(CC)C(=O)C[N@@H+]1CCCN(c2c(C)c(C)[nH+]c3ccccc32)CC1 ZINC000302084263 498400113 /nfs/dbraw/zinc/40/01/13/498400113.db2.gz MTQYVVCPWLBWNW-UHFFFAOYSA-N 2 0 368.525 3.232 20 0 FGADRP CCC[N@H+](CC)C[C@H](C)NC(=O)N1CCC[NH+](Cc2ccccc2)CC1 ZINC000581640843 506033979 /nfs/dbraw/zinc/03/39/79/506033979.db2.gz UEGHZFIUCVFVRT-IBGZPJMESA-N 2 0 360.546 3.024 20 0 FGADRP C[C@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)c1ccc(F)cc1OC(F)F ZINC000282407087 498499093 /nfs/dbraw/zinc/49/90/93/498499093.db2.gz RZYBYHPBZGRLBH-ZDUSSCGKSA-N 2 0 359.436 3.104 20 0 FGADRP CC(=O)N1CCC[C@@H](C[NH2+][C@H]2CCN(Cc3ccccc3)C3(CC3)C2)C1 ZINC000578890947 506045799 /nfs/dbraw/zinc/04/57/99/506045799.db2.gz BWDKPFXJJFTMAO-SFTDATJTSA-N 2 0 355.526 3.032 20 0 FGADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]C[C@H](O)COc2ccccc2C(F)(F)F)C1 ZINC000575981219 506048350 /nfs/dbraw/zinc/04/83/50/506048350.db2.gz BVKYCKIFHGYPNQ-HOTGVXAUSA-N 2 0 374.447 3.155 20 0 FGADRP C[C@H]1CN(c2ccccc2C[NH2+]Cc2cccc(C[NH+](C)C)c2)CCO1 ZINC000297714333 498545000 /nfs/dbraw/zinc/54/50/00/498545000.db2.gz RGPJOCHDKYIOPS-SFHVURJKSA-N 2 0 353.510 3.263 20 0 FGADRP CCOC(=O)c1ccn(-c2cccc(C[NH2+]C3CC[NH+](C(C)C)CC3)c2)n1 ZINC000290488822 498572057 /nfs/dbraw/zinc/57/20/57/498572057.db2.gz OMRUWVKJXGIIEF-UHFFFAOYSA-N 2 0 370.497 3.011 20 0 FGADRP COc1cc(CN[C@H]2CC[N@@H+]3CCC[C@H]3C2)ccc1OCc1ccncc1 ZINC000362999460 498597118 /nfs/dbraw/zinc/59/71/18/498597118.db2.gz FKJORHXWGNQVFG-PMACEKPBSA-N 2 0 367.493 3.386 20 0 FGADRP C[C@H]([NH3+])C[C@H](C)NC(=O)Nc1cc(Cl)ccc1OC1CC[NH+](C)CC1 ZINC000581824495 506068032 /nfs/dbraw/zinc/06/80/32/506068032.db2.gz MULHUJFFPFNEEX-STQMWFEESA-N 2 0 368.909 3.060 20 0 FGADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000303462663 498679233 /nfs/dbraw/zinc/67/92/33/498679233.db2.gz LVIDNEIKQBCBCA-VQTJNVASSA-N 2 0 364.578 3.158 20 0 FGADRP CC1CC[NH+](CCc2cccc(NC(=O)N[C@H]3CC[C@H](C[NH3+])C3)c2)CC1 ZINC000570061820 506081664 /nfs/dbraw/zinc/08/16/64/506081664.db2.gz JANIABFNAZQVOW-ICSRJNTNSA-N 2 0 358.530 3.210 20 0 FGADRP O=C(c1ccccc1)N1CC[C@H](C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)C1 ZINC000283021541 498747790 /nfs/dbraw/zinc/74/77/90/498747790.db2.gz GWSKLPZZXGRRSH-CTNGQTDRSA-N 2 0 355.526 3.099 20 0 FGADRP O[C@@H](C[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1)COc1ccccc1Cl ZINC000311424415 498752000 /nfs/dbraw/zinc/75/20/00/498752000.db2.gz FQZZBEBSUQEYHA-MOPGFXCFSA-N 2 0 374.912 3.191 20 0 FGADRP CNC(=O)c1ccc(C[NH2+]C[C@H]2CCCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000312938480 498764405 /nfs/dbraw/zinc/76/44/05/498764405.db2.gz PCVPIXSGTWLFJP-OAQYLSRUSA-N 2 0 365.521 3.438 20 0 FGADRP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NCc1cc(C(N)=O)cs1 ZINC000283114125 498784654 /nfs/dbraw/zinc/78/46/54/498784654.db2.gz YKWZVPJTIFZTOW-SFHVURJKSA-N 2 0 357.523 3.237 20 0 FGADRP C[C@H](c1nc(C2CC2)no1)N1CCC2(C[C@@H]2N(C)Cc2nccs2)CC1 ZINC000283120408 498787281 /nfs/dbraw/zinc/78/72/81/498787281.db2.gz MYCWECSPHIEVOX-HIFRSBDPSA-N 2 0 373.526 3.451 20 0 FGADRP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)CCC(=O)N3CCC[C@@H]3C)C2)s1 ZINC000570098756 506090510 /nfs/dbraw/zinc/09/05/10/506090510.db2.gz WKHHPVAJVQXRTB-FUHWJXTLSA-N 2 0 363.571 3.211 20 0 FGADRP O=C(c1ccccc1)N1CC[C@H](C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)C1 ZINC000283167750 498803789 /nfs/dbraw/zinc/80/37/89/498803789.db2.gz PIDKRZBWGPDQRU-UZKOGDIHSA-N 2 0 367.537 3.097 20 0 FGADRP c1ccc(CC[N@@H+]2CC[C@H](C[NH2+]C3CCN(c4cc[nH+]cc4)CC3)C2)cc1 ZINC000298606830 498827427 /nfs/dbraw/zinc/82/74/27/498827427.db2.gz ZQZTZNNQNIRWDG-OAQYLSRUSA-N 3 0 364.537 3.205 20 0 FGADRP COc1cccc(C[N@@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)c1OC(F)F ZINC000581971263 506102275 /nfs/dbraw/zinc/10/22/75/506102275.db2.gz OOJXTJMCAFDIEL-OAHLLOKOSA-N 2 0 354.441 3.460 20 0 FGADRP O=C([C@@H]1CCCCC[NH2+]1)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000581944287 506095998 /nfs/dbraw/zinc/09/59/98/506095998.db2.gz BEMYCGZYFIXXSF-QHAWAJNXSA-N 2 0 355.526 3.032 20 0 FGADRP C[NH+](C)Cc1cccc(CNC(=O)[C@@H]2C[NH2+]C[C@H]2c2ccc(Cl)cc2)c1 ZINC000570174028 506108403 /nfs/dbraw/zinc/10/84/03/506108403.db2.gz WAAICWHCCAIKKW-VQTJNVASSA-N 2 0 371.912 3.021 20 0 FGADRP C[C@H]1C[C@@H](C(=O)N(C)CC2(C)CC[NH+](Cc3ccccc3)CC2)CC[NH2+]1 ZINC000366398794 498909141 /nfs/dbraw/zinc/90/91/41/498909141.db2.gz KFESAFRTXTYUNF-ICSRJNTNSA-N 2 0 357.542 3.135 20 0 FGADRP C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000333162300 498919433 /nfs/dbraw/zinc/91/94/33/498919433.db2.gz GQGGVHTYCHFYMM-ZMWHVPEISA-N 2 0 370.541 3.093 20 0 FGADRP CC(C)Oc1ccc([C@@H](CNC(=O)C2CC[NH+](C3CC3)CC2)[NH+](C)C)cc1 ZINC000287999154 498920745 /nfs/dbraw/zinc/92/07/45/498920745.db2.gz BHWLEVMUWYDKHB-OAQYLSRUSA-N 2 0 373.541 3.067 20 0 FGADRP C[C@H](NC(=O)NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1)[C@H]1CCC[NH2+]C1 ZINC000576253431 506114311 /nfs/dbraw/zinc/11/43/11/506114311.db2.gz GKBRBYHFSMPKNN-LQWHRVPQSA-N 2 0 372.557 3.248 20 0 FGADRP CN(c1ccccc1C[N@@H+]1CC[C@@H](O)CC(C)(C)C1)C1CC[NH+](C)CC1 ZINC000295203040 498942104 /nfs/dbraw/zinc/94/21/04/498942104.db2.gz KKMUDWPCRFVXHZ-HXUWFJFHSA-N 2 0 359.558 3.200 20 0 FGADRP CN1CC[NH+](CC2(C)CC[NH+](Cc3ccc4ccccc4n3)CC2)CC1 ZINC000363788937 498993787 /nfs/dbraw/zinc/99/37/87/498993787.db2.gz CYYUYFVVHZIZLA-UHFFFAOYSA-N 2 0 352.526 3.084 20 0 FGADRP Cc1nn(C)c(N2CCC[N@H+](C)CC2)c1C[NH2+][C@H](C)[C@H](C)c1ccccc1 ZINC000363788814 498993821 /nfs/dbraw/zinc/99/38/21/498993821.db2.gz YCZJUKVZTNXMFM-ZWKOTPCHSA-N 2 0 369.557 3.152 20 0 FGADRP O=C([C@@H](c1ccccc1)[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1)N1CCCCC1 ZINC000582063303 506125144 /nfs/dbraw/zinc/12/51/44/506125144.db2.gz WZQCXCOKXYZREM-NHCUHLMSSA-N 2 0 355.526 3.062 20 0 FGADRP COc1ccc(C[NH2+]Cc2ccc(OC3CC[NH+](C)CC3)cc2)cc1OC ZINC000283906904 499011176 /nfs/dbraw/zinc/01/11/76/499011176.db2.gz IBHVLKJASOXVPS-UHFFFAOYSA-N 2 0 370.493 3.467 20 0 FGADRP C[NH+]1CCC(Oc2ccc(C[NH2+]Cc3cnn4ccccc34)cc2)CC1 ZINC000283921300 499013729 /nfs/dbraw/zinc/01/37/29/499013729.db2.gz ISYVVYCTABQHHB-UHFFFAOYSA-N 2 0 350.466 3.097 20 0 FGADRP COc1cc(C[NH2+]Cc2ccc(OC3CC[NH+](C)CC3)cc2)cc(OC)c1 ZINC000284051806 499037730 /nfs/dbraw/zinc/03/77/30/499037730.db2.gz PKINEFJDXPCHRJ-UHFFFAOYSA-N 2 0 370.493 3.467 20 0 FGADRP CCN1CC[NH+](CCCC[NH2+][C@@H](C)[C@H]2C[C@@H]2c2ccc(OC)cc2)CC1 ZINC000284358084 499094446 /nfs/dbraw/zinc/09/44/46/499094446.db2.gz NQJYXRYCQVOFKC-VLCRHTCISA-N 2 0 359.558 3.195 20 0 FGADRP C[NH+](C)Cc1ccc(-c2noc(C3CC[NH+]([C@@H]4CCSC4)CC3)n2)cc1 ZINC000570294534 506135233 /nfs/dbraw/zinc/13/52/33/506135233.db2.gz SWYMLFAXDJRMBT-GOSISDBHSA-N 2 0 372.538 3.483 20 0 FGADRP CC(=O)N1CC[C@H]([NH2+]CCC[N@H+]2C[C@H](C)C[C@H](C)C2)c2ccccc2C1 ZINC000369839399 499136543 /nfs/dbraw/zinc/13/65/43/499136543.db2.gz FBSSABCQFWJRIN-SVMVAKDDSA-N 2 0 357.542 3.438 20 0 FGADRP CC(C)[NH+]1CCC(Nc2ccc(C(=O)N(C)[C@@H]3CCC[N@H+](C)C3)cc2)CC1 ZINC000367040394 499138575 /nfs/dbraw/zinc/13/85/75/499138575.db2.gz IZJXIAGGZMCZPC-OAQYLSRUSA-N 2 0 372.557 3.138 20 0 FGADRP C(=C/C[NH2+][C@H]1CCCC12CCOCC2)\C[NH2+][C@H]1CCCC12CCOCC2 ZINC000367110891 499150603 /nfs/dbraw/zinc/15/06/03/499150603.db2.gz ZKJLCDLRRTXIPW-IGMPDDETSA-N 2 0 362.558 3.420 20 0 FGADRP C[NH+]1CCN(C[C@H]2CCC[N@H+](Cc3ccc(Cl)c4cccnc34)C2)CC1 ZINC000367117862 499150722 /nfs/dbraw/zinc/15/07/22/499150722.db2.gz UXTQRDSIOMGWHE-QGZVFWFLSA-N 2 0 372.944 3.348 20 0 FGADRP CCOC1CC(C[N@@H+]2CCC3(C2)CC[NH+](CC2CC(OCC)C2)CC3)C1 ZINC000367143025 499153751 /nfs/dbraw/zinc/15/37/51/499153751.db2.gz DOBIWTMBIITCRS-UHFFFAOYSA-N 2 0 364.574 3.405 20 0 FGADRP CC[NH+]1CCN(Cc2ccc(C[NH2+]CCCc3cnccc3C)cc2)CC1 ZINC000573166646 506133942 /nfs/dbraw/zinc/13/39/42/506133942.db2.gz CQPRPQBUXOHFJS-UHFFFAOYSA-N 2 0 366.553 3.250 20 0 FGADRP CC1(C)C[C@H]([NH2+]C2CCN(CC(=O)N3CCCC3)CC2)c2ccccc21 ZINC000372780390 499174229 /nfs/dbraw/zinc/17/42/29/499174229.db2.gz KSPAZNVQTDJXFF-FQEVSTJZSA-N 2 0 355.526 3.085 20 0 FGADRP C[C@@H]1C[N@@H+](CCCC[NH2+]Cc2cccc(-c3cnn(C)c3)c2)C[C@H](C)O1 ZINC000372841099 499183000 /nfs/dbraw/zinc/18/30/00/499183000.db2.gz WXPPNJGKVJPYRD-HDICACEKSA-N 2 0 356.514 3.066 20 0 FGADRP C[C@H]1CCCC[C@H]1[NH+]1CCC(NCCC[N@@H+]2CCCO[C@H](C)C2)CC1 ZINC000372867397 499186707 /nfs/dbraw/zinc/18/67/07/499186707.db2.gz COXFWRLDPMTLJU-QKNQBKEWSA-N 2 0 351.579 3.120 20 0 FGADRP CN(Cc1nc2cc(Br)ccc2[nH]1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000367603418 499216404 /nfs/dbraw/zinc/21/64/04/499216404.db2.gz LBOLEYKRHFMYBA-PBWFPOADSA-N 2 0 363.303 3.382 20 0 FGADRP C[N@@H+]1CC[C@H]([NH2+]C2CCC(NC(=O)OC(C)(C)C)CC2)[C@H]2CCC[C@@H]21 ZINC000367620110 499218643 /nfs/dbraw/zinc/21/86/43/499218643.db2.gz PZYIAVMCNLAVFS-QEXNXIHPSA-N 2 0 351.535 3.285 20 0 FGADRP C[NH+]1CCC(N2CC[C@H]([NH2+][C@@H]3CC4(CCC4)Oc4ccccc43)C2)CC1 ZINC000370636701 499238310 /nfs/dbraw/zinc/23/83/10/499238310.db2.gz SDTTZOUADGPKBP-FXAWDEMLSA-N 2 0 355.526 3.191 20 0 FGADRP CCOc1ccc([C@H]2CCCN2C(=O)CN2CCC[C@H]([NH+](C)C)CC2)cc1 ZINC000370696445 499245225 /nfs/dbraw/zinc/24/52/25/499245225.db2.gz GIIWYIBCELDHSG-PZJWPPBQSA-N 2 0 373.541 3.165 20 0 FGADRP C[C@H]1CN(Cc2ccc(F)c(C(F)(F)F)c2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000370710853 499246820 /nfs/dbraw/zinc/24/68/20/499246820.db2.gz VFURLKMYOWXFSX-KSSFIOAISA-N 2 0 373.438 3.302 20 0 FGADRP C[NH+]1CCC(N2CC[C@H]([NH2+][C@H]3CCCc4c5ccccc5[nH]c43)C2)CC1 ZINC000368007228 499254272 /nfs/dbraw/zinc/25/42/72/499254272.db2.gz PMZLKRGYDNOHTM-KKSFZXQISA-N 2 0 352.526 3.303 20 0 FGADRP CC[N@@H+]1CC[C@H]([NH2+][C@H]2CC23CCN(C(=O)OC(C)(C)C)CC3)[C@@H](C)C1 ZINC000368041489 499258700 /nfs/dbraw/zinc/25/87/00/499258700.db2.gz KKLISWSCVITCPN-ULQDDVLXSA-N 2 0 351.535 3.096 20 0 FGADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000370844596 499261216 /nfs/dbraw/zinc/26/12/16/499261216.db2.gz DBUYYOSYXWLBGS-OAQYLSRUSA-N 2 0 371.569 3.383 20 0 FGADRP CCC[N@H+](C)C[C@@H]1CCN(Cc2nc3c(s2)C[NH+](C(C)C)CC3)C1 ZINC000368158135 499269965 /nfs/dbraw/zinc/26/99/65/499269965.db2.gz GPZFXKGSMBETEO-INIZCTEOSA-N 2 0 350.576 3.073 20 0 FGADRP CN1CC[C@@H](C[NH2+]Cc2c[nH]c3nccnc23)[C@@H]1c1cccc(Cl)c1 ZINC000368213346 499274608 /nfs/dbraw/zinc/27/46/08/499274608.db2.gz ADPVDSTZEDRVFZ-KSSFIOAISA-N 2 0 355.873 3.346 20 0 FGADRP C[C@H]1C[C@@H](C(=O)N[C@@H]2CCC[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]32)CC[N@@H+]1C ZINC000368249526 499278248 /nfs/dbraw/zinc/27/82/48/499278248.db2.gz LYXYONHQONEEAN-TXZRGUEPSA-N 2 0 369.553 3.134 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000371034109 499282152 /nfs/dbraw/zinc/28/21/52/499282152.db2.gz MVALZRUUJKABLY-UYAOXDASSA-N 2 0 364.578 3.014 20 0 FGADRP C[NH+]1CCC2(CC1)C[C@H]([NH2+]C[C@@H]1CCCn3ccnc31)c1ccccc1O2 ZINC000368361949 499288778 /nfs/dbraw/zinc/28/87/78/499288778.db2.gz DTNRBUJQBJLYMT-HKUYNNGSSA-N 2 0 366.509 3.338 20 0 FGADRP Cn1ccnc1[C@@H]1CCN(C(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000368380821 499290728 /nfs/dbraw/zinc/29/07/28/499290728.db2.gz PEEUSZSBORJERZ-LJQANCHMSA-N 2 0 366.509 3.038 20 0 FGADRP O=C([C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000371241530 499301478 /nfs/dbraw/zinc/30/14/78/499301478.db2.gz CRXKSABLTPNTSY-ZVDOUQERSA-N 2 0 373.516 3.028 20 0 FGADRP c1ccc(C[N@@H+]2CCCO[C@H](CN3CCC[C@@H]([NH+]4CCCCC4)C3)C2)cc1 ZINC000368505031 499302979 /nfs/dbraw/zinc/30/29/79/499302979.db2.gz TYIPWITXDJVLLQ-PKTZIBPZSA-N 2 0 371.569 3.228 20 0 FGADRP C[N@@H+]1CC[C@H](C[NH2+]C2CCN(Cc3ccccn3)CC2)[C@@H]1c1ccccc1 ZINC000371521045 499337495 /nfs/dbraw/zinc/33/74/95/499337495.db2.gz YQAAHMBOZOGACJ-OFNKIYASSA-N 2 0 364.537 3.329 20 0 FGADRP C[C@H](NC(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1)C1=CC[N@H+](C)CC1 ZINC000371589707 499345097 /nfs/dbraw/zinc/34/50/97/499345097.db2.gz VCRXYXKOFOINAZ-ROUUACIJSA-N 2 0 370.541 3.162 20 0 FGADRP COc1cc2c(cc1OC)[C@H]([NH2+]C1CCN(c3ccccn3)CC1)CC2 ZINC000369147903 499370864 /nfs/dbraw/zinc/37/08/64/499370864.db2.gz OBMILLZUSNDFRF-GOSISDBHSA-N 2 0 353.466 3.345 20 0 FGADRP C[C@H](C(=O)NC[C@@H]1CC[N@H+](C)[C@H]1c1cccs1)[C@H]([NH3+])c1ccccc1 ZINC000372099330 499399110 /nfs/dbraw/zinc/39/91/10/499399110.db2.gz SZMMAGWYXRNEDC-OYSPMZIOSA-N 2 0 357.523 3.193 20 0 FGADRP [NH3+]Cc1cc(C(=O)N2CCC[C@H]2[C@H]2CCC[N@@H+]2Cc2ccccc2)co1 ZINC000372436272 499434550 /nfs/dbraw/zinc/43/45/50/499434550.db2.gz IBTBKVRQXXVXFN-UXHICEINSA-N 2 0 353.466 3.008 20 0 FGADRP C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@@H]1[NH2+]Cc1cccc(OCC(F)F)c1 ZINC000373157255 499454292 /nfs/dbraw/zinc/45/42/92/499454292.db2.gz ZJERWQSOLDAMKE-LZQZEXGQSA-N 2 0 368.468 3.310 20 0 FGADRP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+][C@H]2CCO[C@@]4(CCOC4)C2)C3)cc1 ZINC000373201778 499457039 /nfs/dbraw/zinc/45/70/39/499457039.db2.gz FTXPLSDDVOBWSN-CUUWFGFTSA-N 2 0 356.510 3.110 20 0 FGADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2Cc1ccn(-c2ccc(Cl)cc2)n1 ZINC000373344987 499464394 /nfs/dbraw/zinc/46/43/94/499464394.db2.gz DBNAUWCNEWXRJH-AQNXPRMDSA-N 2 0 374.916 3.209 20 0 FGADRP CC[NH+](CC)Cc1ccccc1C[NH2+]Cc1cnc(-c2cnn(C)c2)nc1 ZINC000373491778 499473097 /nfs/dbraw/zinc/47/30/97/499473097.db2.gz YEZZRBQFSVBWJC-UHFFFAOYSA-N 2 0 364.497 3.009 20 0 FGADRP C[C@H]1[N@H+](CCC[NH+]2CCC3(CCOCC3)[C@@H]2C)CCC12CCOCC2 ZINC000375237597 499497841 /nfs/dbraw/zinc/49/78/41/499497841.db2.gz AITNWEVMZYKHFR-KDURUIRLSA-N 2 0 350.547 3.159 20 0 FGADRP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+]CCc1nc2c(s1)CCCC2 ZINC000378403546 499512742 /nfs/dbraw/zinc/51/27/42/499512742.db2.gz NKCHPAKIXJIKES-IXDOHACOSA-N 2 0 363.571 3.043 20 0 FGADRP CC(C)[NH+]1CCN(CCC[NH+]2CCC(c3ncccc3Cl)CC2)CC1 ZINC000375712522 499548048 /nfs/dbraw/zinc/54/80/48/499548048.db2.gz SOZSBJCXMVCYKN-UHFFFAOYSA-N 2 0 364.965 3.331 20 0 FGADRP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+]C/C=C/c1ccc(F)c(F)c1 ZINC000375740232 499550547 /nfs/dbraw/zinc/55/05/47/499550547.db2.gz FDHFDYHZRHAOBL-HLVDAAOLSA-N 2 0 350.453 3.457 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H](O)COCc1ccccc1 ZINC000397962201 499565521 /nfs/dbraw/zinc/56/55/21/499565521.db2.gz FOADEBGHVLUSRG-PTUXOGIPSA-N 2 0 368.521 3.064 20 0 FGADRP COc1ccccc1NC(=O)CN[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000397973522 499565811 /nfs/dbraw/zinc/56/58/11/499565811.db2.gz JOBSXHNRTDCCQI-PKOBYXMFSA-N 2 0 367.493 3.134 20 0 FGADRP COc1ccc(C[NH2+]Cc2cnc3n2CCCC3)cc1Br ZINC000376729694 499632659 /nfs/dbraw/zinc/63/26/59/499632659.db2.gz RYUJGZDGERJQHQ-UHFFFAOYSA-N 2 0 350.260 3.280 20 0 FGADRP CC[NH+](CC)CCCNC(=O)NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000410360656 499657524 /nfs/dbraw/zinc/65/75/24/499657524.db2.gz SCUOMPBFSDMWMJ-LJQANCHMSA-N 2 0 374.573 3.450 20 0 FGADRP COc1ccc2c(c1)CCC[C@@H]2[N@H+](C)C1CCN(CCn2cccn2)CC1 ZINC000377404325 499687325 /nfs/dbraw/zinc/68/73/25/499687325.db2.gz YDOGOQIZVNZOQY-QFIPXVFZSA-N 2 0 368.525 3.366 20 0 FGADRP C[N@H+](Cc1ccc(OC(F)F)c(F)c1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000377626249 499712284 /nfs/dbraw/zinc/71/22/84/499712284.db2.gz MJMPTUFSSLTXEP-INIZCTEOSA-N 2 0 371.447 3.027 20 0 FGADRP O=C(Nc1ccc(C[NH+]2CCCC2)cc1)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000411270222 499719663 /nfs/dbraw/zinc/71/96/63/499719663.db2.gz PBNKPNCGGUAPER-FQEVSTJZSA-N 2 0 373.566 3.438 20 0 FGADRP C[C@H](CC[NH+]1CCC[C@H]2COCC[C@H]21)CC[N@@H+]1CCC[C@@H]2COCC[C@@H]21 ZINC000411315150 499725166 /nfs/dbraw/zinc/72/51/66/499725166.db2.gz HDTRVCCAJIVQNM-XETXSBNLSA-N 2 0 364.574 3.405 20 0 FGADRP COC[C@@H]([NH2+]C[C@H]1CCCC[N@H+](Cc2ccccc2)C1)C1CCOCC1 ZINC000377741912 499727247 /nfs/dbraw/zinc/72/72/47/499727247.db2.gz XDNQMJAOJYITLK-IFMALSPDSA-N 2 0 360.542 3.320 20 0 FGADRP Cc1ccc([C@H](CNC(=O)[C@H]2CCCc3nccn32)[NH+]2CCCC2)cc1 ZINC000377748537 499728199 /nfs/dbraw/zinc/72/81/99/499728199.db2.gz RTEMCVJTAHVUBM-MOPGFXCFSA-N 2 0 352.482 3.022 20 0 FGADRP CC(C)[NH+]1CCC(NC(=O)C[NH2+]C2(c3ccc(F)cc3)CCCC2)CC1 ZINC000411363565 499729609 /nfs/dbraw/zinc/72/96/09/499729609.db2.gz KCPSKWQRJHNEIZ-UHFFFAOYSA-N 2 0 361.505 3.174 20 0 FGADRP CCN1C[C@H](C)[NH+](CC[C@@H](C)CC[N@@H+]2C[C@H](C)N(CC)C[C@H]2C)C[C@H]1C ZINC000411416654 499737433 /nfs/dbraw/zinc/73/74/33/499737433.db2.gz CZYUWGLSEBCWCI-QGJCJDORSA-N 2 0 366.638 3.232 20 0 FGADRP CCOC(=O)[C@H](NCc1ccc(C[NH+]2CCCCC2)cc1)[C@H]1CCCOC1 ZINC000411506731 499748905 /nfs/dbraw/zinc/74/89/05/499748905.db2.gz PBCVQYWAAUDJDW-LEWJYISDSA-N 2 0 374.525 3.120 20 0 FGADRP COc1ccc(C[C@H](C)[NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)cn1 ZINC000414129484 499762889 /nfs/dbraw/zinc/76/28/89/499762889.db2.gz UXHGUVDFYKEZIM-SFHVURJKSA-N 2 0 369.509 3.286 20 0 FGADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@H](C)c1csc(-c2ccccc2)n1 ZINC000414147192 499764349 /nfs/dbraw/zinc/76/43/49/499764349.db2.gz WANGFDTYMFTBRI-IAGOWNOFSA-N 2 0 358.555 3.487 20 0 FGADRP C[NH+](C)CCCOc1cnccc1C[NH2+][C@H]1C[C@H](OC(C)(C)C)C1(C)C ZINC000414168861 499765401 /nfs/dbraw/zinc/76/54/01/499765401.db2.gz VAJQIEIYROLPOE-OALUTQOASA-N 2 0 363.546 3.484 20 0 FGADRP O=C(C1CC1)N1CCC[N@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000411598784 499767640 /nfs/dbraw/zinc/76/76/40/499767640.db2.gz ATDPVKGAXKVHBL-UHFFFAOYSA-N 2 0 355.526 3.117 20 0 FGADRP C[NH+]1CCC(C[NH2+][C@H]2CCCC[C@H]2c2ccccc2)(N2CCOCC2)CC1 ZINC000414199809 499768227 /nfs/dbraw/zinc/76/82/27/499768227.db2.gz RLEQLFSENOIBMS-VXKWHMMOSA-N 2 0 371.569 3.099 20 0 FGADRP C[C@@H]([NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1)c1ccc(Cl)cn1 ZINC000414308995 499776385 /nfs/dbraw/zinc/77/63/85/499776385.db2.gz REMOHPAIIGOSQL-MRXNPFEDSA-N 2 0 359.901 3.413 20 0 FGADRP NC(=O)C1CC[NH+](Cc2ccc(C[NH2+][C@H]3CC[C@H]3C3CCC3)cc2)CC1 ZINC000414335003 499778560 /nfs/dbraw/zinc/77/85/60/499778560.db2.gz HBCDTJXIQHXTGB-SFTDATJTSA-N 2 0 355.526 3.052 20 0 FGADRP CCc1cc(N2CCC[C@H]([NH2+]C3CC[NH+](C4CCCCC4)CC3)C2)ncn1 ZINC000414351244 499780073 /nfs/dbraw/zinc/78/00/73/499780073.db2.gz MXBSPDAPWDFAGE-FQEVSTJZSA-N 2 0 371.573 3.395 20 0 FGADRP O[C@H]([C@H]1CC[N@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1)C(F)(F)F ZINC000411798837 499791882 /nfs/dbraw/zinc/79/18/82/499791882.db2.gz JQANEXUZYYQDHC-ZWKOTPCHSA-N 2 0 356.432 3.418 20 0 FGADRP Cc1nn(-c2cccc(F)c2)cc1C[N@H+]1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000414443654 499792993 /nfs/dbraw/zinc/79/29/93/499792993.db2.gz ODRMYFPYIRSFAT-SFHVURJKSA-N 2 0 356.489 3.484 20 0 FGADRP C[C@@H]1CCCC[C@H]1C[NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000414549487 499806810 /nfs/dbraw/zinc/80/68/10/499806810.db2.gz ASDIYKSUHWCEJF-UTKZUKDTSA-N 2 0 357.542 3.300 20 0 FGADRP C[C@H]1CCCC[C@H]1C[NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000414549489 499807046 /nfs/dbraw/zinc/80/70/46/499807046.db2.gz ASDIYKSUHWCEJF-UWJYYQICSA-N 2 0 357.542 3.300 20 0 FGADRP Cc1cccc(CC[NH2+]Cc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)c1 ZINC000414552793 499807700 /nfs/dbraw/zinc/80/77/00/499807700.db2.gz HNJHIXTXWTULFR-UHFFFAOYSA-N 2 0 365.521 3.025 20 0 FGADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@@H]1CCN(c2ccc(F)cc2)C1 ZINC000414583870 499811878 /nfs/dbraw/zinc/81/18/78/499811878.db2.gz MISUNINNASIILR-GOSISDBHSA-N 2 0 351.429 3.083 20 0 FGADRP [NH3+]CC(=O)N1CCC[C@H](C[N@H+](Cc2ccc3ccccc3c2)C2CC2)C1 ZINC000414674614 499819374 /nfs/dbraw/zinc/81/93/74/499819374.db2.gz KVBZWGSZNJRDJR-SFHVURJKSA-N 2 0 351.494 3.002 20 0 FGADRP C[N@H+](Cc1ccccc1NC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21)C1CCCCC1 ZINC000414716185 499822388 /nfs/dbraw/zinc/82/23/88/499822388.db2.gz RSJNILZSVJSIPW-UZLBHIALSA-N 2 0 356.514 3.277 20 0 FGADRP CC[N@@H+](CC(=O)Nc1ccccc1C(F)(F)F)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414729911 499823847 /nfs/dbraw/zinc/82/38/47/499823847.db2.gz GBTWGHAQMKRRMB-KGLIPLIRSA-N 2 0 357.420 3.354 20 0 FGADRP [NH3+]C[C@@H]1CN(Cc2csc(-c3ccc(F)cc3)n2)CC12CCOCC2 ZINC000414776021 499829673 /nfs/dbraw/zinc/82/96/73/499829673.db2.gz CTVFEBQQPDTFEJ-OAHLLOKOSA-N 2 0 361.486 3.137 20 0 FGADRP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](Cc2c[nH]nc2-c2cccc(Cl)c2)CC1 ZINC000414778128 499829908 /nfs/dbraw/zinc/82/99/08/499829908.db2.gz GFPSHYFOWRZYIL-MJGOQNOKSA-N 2 0 360.889 3.058 20 0 FGADRP Cc1cc(Br)cn2c(C[NH2+][C@@H]3CCCC[C@@H]3C[NH3+])cnc12 ZINC000414796803 499832052 /nfs/dbraw/zinc/83/20/52/499832052.db2.gz IASAGBFYIQHQKZ-IUODEOHRSA-N 2 0 351.292 3.012 20 0 FGADRP C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000414812153 499833674 /nfs/dbraw/zinc/83/36/74/499833674.db2.gz WXUDFNZWSBOVSX-XJKCOSOUSA-N 2 0 368.319 3.273 20 0 FGADRP c1c(C[NH2+]C[C@H]2CCC[NH2+]C2)c(-c2cccnc2)nn1Cc1ccccc1 ZINC000414835330 499835987 /nfs/dbraw/zinc/83/59/87/499835987.db2.gz SZLHNNLXHJSGKV-IBGZPJMESA-N 2 0 361.493 3.083 20 0 FGADRP COc1ccc(OC)c(NC(=O)C[C@H](C)[NH2+]CC2([NH3+])CCCCCC2)c1 ZINC000414859492 499838817 /nfs/dbraw/zinc/83/88/17/499838817.db2.gz MWRIUAQXGYGFLQ-HNNXBMFYSA-N 2 0 363.502 3.062 20 0 FGADRP C[C@@H]1C[C@@H](NCCC[NH2+]Cc2cccnc2)CC[N@@H+]1Cc1ccccc1 ZINC000414882918 499841025 /nfs/dbraw/zinc/84/10/25/499841025.db2.gz SNTZURXPEWJGKC-KNQAVFIVSA-N 2 0 352.526 3.204 20 0 FGADRP C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+]C[C@]1(C)CCC[NH2+]C1 ZINC000414906086 499843660 /nfs/dbraw/zinc/84/36/60/499843660.db2.gz LZEWMCSCZDDHTR-SUMWQHHRSA-N 2 0 368.319 3.146 20 0 FGADRP C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]C[C@]1(C)CCC[NH2+]C1 ZINC000414919525 499844468 /nfs/dbraw/zinc/84/44/68/499844468.db2.gz XGLQGKHTABGZTR-DNVCBOLYSA-N 2 0 351.922 3.056 20 0 FGADRP C[C@@]1(C[NH2+]Cc2cn(-c3ccccc3)nc2-c2cccnc2)CCC[NH2+]C1 ZINC000414920589 499844622 /nfs/dbraw/zinc/84/46/22/499844622.db2.gz ZTKQGMIOFUBXSI-JOCHJYFZSA-N 2 0 361.493 3.414 20 0 FGADRP Clc1ccc(-n2cc(C[NH2+]CCC[C@H]3CCC[NH2+]3)nn2)cc1Cl ZINC000414969264 499849965 /nfs/dbraw/zinc/84/99/65/499849965.db2.gz STIJYKPKDOZASG-LBPRGKRZSA-N 2 0 354.285 3.196 20 0 FGADRP COc1ccc(Cn2nc(C)c(C[NH2+]CCC[C@H]3CCC[NH2+]3)c2C)cc1 ZINC000414972848 499850230 /nfs/dbraw/zinc/85/02/30/499850230.db2.gz YUGMTORURDCREJ-IBGZPJMESA-N 2 0 356.514 3.179 20 0 FGADRP [NH3+][C@@H]1CCC[C@H](C[NH2+]Cc2cc(Br)c3c(c2)OCCCO3)C1 ZINC000414987284 499851813 /nfs/dbraw/zinc/85/18/13/499851813.db2.gz DLHCIGGTVNPGPU-GXTWGEPZSA-N 2 0 369.303 3.218 20 0 FGADRP COC(=O)c1ccc(C[NH2+]C[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)cc1 ZINC000415005110 499854359 /nfs/dbraw/zinc/85/43/59/499854359.db2.gz OXJYKVFUTMKMRF-AZUAARDMSA-N 2 0 356.441 3.095 20 0 FGADRP C[C@@H](CCCC[NH3+])[NH2+]Cc1cc(Br)c2c(c1)OCCCO2 ZINC000415008710 499854525 /nfs/dbraw/zinc/85/45/25/499854525.db2.gz DMYFAYRGFLZGMD-LBPRGKRZSA-N 2 0 357.292 3.218 20 0 FGADRP C[C@H](CCC[NH3+])[NH2+]C1CCN(Cc2ccccc2Br)CC1 ZINC000415016264 499855353 /nfs/dbraw/zinc/85/53/53/499855353.db2.gz CCLBURCJNMZUNJ-CQSZACIVSA-N 2 0 354.336 3.131 20 0 FGADRP C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]C[C@H]1CC[C@H](C[NH3+])CC1 ZINC000415028227 499856125 /nfs/dbraw/zinc/85/61/25/499856125.db2.gz YKNDKGJIHSRSNI-BRWVUGGUSA-N 2 0 365.949 3.432 20 0 FGADRP CCOc1c(Br)cc(C[NH2+][C@H]2CC[C@H](C[NH3+])C2)cc1OC ZINC000415028387 499856217 /nfs/dbraw/zinc/85/62/17/499856217.db2.gz COOUFJCIKNZIDD-AAEUAGOBSA-N 2 0 357.292 3.073 20 0 FGADRP CCCOc1c(Br)cc(C[NH2+][C@@H]2CC[C@H](C[NH3+])C2)cc1OC ZINC000415038875 499857159 /nfs/dbraw/zinc/85/71/59/499857159.db2.gz NTSFZFVVKKAGPN-GXTWGEPZSA-N 2 0 371.319 3.464 20 0 FGADRP COc1ccc(NC(=O)C[C@@H](C)[NH2+][C@H](CCC[NH3+])c2ccccc2)cc1 ZINC000415048257 499858107 /nfs/dbraw/zinc/85/81/07/499858107.db2.gz GAPROJRKPUMWAN-OXQOHEQNSA-N 2 0 355.482 3.482 20 0 FGADRP Fc1ccc(C[NH2+]C2CCC([NH+]3CCNCC3)CC2)c(C(F)(F)F)c1 ZINC000415061119 499859681 /nfs/dbraw/zinc/85/96/81/499859681.db2.gz XYTJMIABMCKPIY-UHFFFAOYSA-N 2 0 359.411 3.151 20 0 FGADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C1CCN(C(=O)c2ccccc2F)CC1 ZINC000415077704 499861177 /nfs/dbraw/zinc/86/11/77/499861177.db2.gz HWPKJANFUIFPRC-AEFFLSMTSA-N 2 0 361.505 3.331 20 0 FGADRP COc1cc([C@@H](C)[NH2+]CC2CC[NH2+]CC2)ccc1OCc1ccncc1 ZINC000415085732 499861953 /nfs/dbraw/zinc/86/19/53/499861953.db2.gz IRPNWGVRZONFAV-MRXNPFEDSA-N 2 0 355.482 3.319 20 0 FGADRP CCOc1cc(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)ccc1OCC(F)(F)F ZINC000415101898 499863718 /nfs/dbraw/zinc/86/37/18/499863718.db2.gz BUHQDQOOQYTXNK-ZFWWWQNUSA-N 2 0 360.420 3.443 20 0 FGADRP COc1ccc(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)cc1OCc1cccnc1 ZINC000415122870 499866403 /nfs/dbraw/zinc/86/64/03/499866403.db2.gz IUXVHCIUWYJDKC-APWZRJJASA-N 2 0 355.482 3.086 20 0 FGADRP COc1ccc(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)cc1OCc1cccnc1 ZINC000415122872 499866594 /nfs/dbraw/zinc/86/65/94/499866594.db2.gz IUXVHCIUWYJDKC-LPHOPBHVSA-N 2 0 355.482 3.086 20 0 FGADRP C[C@@H]1CC[N@H+](Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)C[C@H]1C[NH3+] ZINC000415133352 499868372 /nfs/dbraw/zinc/86/83/72/499868372.db2.gz VBXYAQQZSQMUOW-UKRRQHHQSA-N 2 0 352.404 3.308 20 0 FGADRP C[NH+](C)[C@H]1CCc2cc(NC(=O)N3CCC([C@H]4CCC[NH2+]4)CC3)ccc21 ZINC000415786191 499918716 /nfs/dbraw/zinc/91/87/16/499918716.db2.gz JPHKBXUCGWVLTD-UXHICEINSA-N 2 0 356.514 3.231 20 0 FGADRP CC[NH+](CC)CCO[C@@H]1CCN(c2cc[nH+]c3cc(OC)c(OC)cc32)C1 ZINC000413188809 499924512 /nfs/dbraw/zinc/92/45/12/499924512.db2.gz XWBLHTIHEFOASC-MRXNPFEDSA-N 2 0 373.497 3.189 20 0 FGADRP COc1cc2[nH+]ccc(N3CC[C@@H](C4CC[NH+](C)CC4)C3)c2cc1OC ZINC000413204988 499926443 /nfs/dbraw/zinc/92/64/43/499926443.db2.gz PCSPYGDALLFTAF-MRXNPFEDSA-N 2 0 355.482 3.420 20 0 FGADRP C[NH2+]Cc1ccccc1NC(=O)N1CC[N@H+](Cc2ccccc2)C[C@H](C)C1 ZINC000415905506 499926611 /nfs/dbraw/zinc/92/66/11/499926611.db2.gz UXTPOSMMGWYYMW-SFHVURJKSA-N 2 0 366.509 3.392 20 0 FGADRP CC[C@H](CNC(=O)Nc1ccccc1C[NH2+]C)[N@@H+]1CCc2ccccc2C1 ZINC000415907062 499926929 /nfs/dbraw/zinc/92/69/29/499926929.db2.gz ZLQOLQZLWPMGSF-HXUWFJFHSA-N 2 0 366.509 3.364 20 0 FGADRP CC[NH2+]Cc1cccc(NC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000415915595 499927814 /nfs/dbraw/zinc/92/78/14/499927814.db2.gz ZJYLHMGSYAFTLR-YLJYHZDGSA-N 2 0 356.514 3.277 20 0 FGADRP C[NH2+]Cc1ccccc1NC(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000415920665 499928668 /nfs/dbraw/zinc/92/86/68/499928668.db2.gz KGZYEKISJMQPQT-BGYRXZFFSA-N 2 0 364.493 3.002 20 0 FGADRP C[NH2+]Cc1cccc(NC(=O)NC[C@H](c2ccc(C)o2)[NH+]2CCCC2)c1 ZINC000415924480 499929157 /nfs/dbraw/zinc/92/91/57/499929157.db2.gz YLYBHOAZZUCRCX-GOSISDBHSA-N 2 0 356.470 3.266 20 0 FGADRP C[NH2+]Cc1ccccc1NC(=O)N(CC[NH+](C)C)Cc1cccc(OC)c1 ZINC000415927768 499929436 /nfs/dbraw/zinc/92/94/36/499929436.db2.gz WUXNMRHKCXJLJP-UHFFFAOYSA-N 2 0 370.497 3.010 20 0 FGADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)Nc1ccc(OCC[NH3+])cc1 ZINC000415941605 499931362 /nfs/dbraw/zinc/93/13/62/499931362.db2.gz XDIZHAVSTPNCNT-UHFFFAOYSA-N 2 0 370.497 3.140 20 0 FGADRP CC[NH2+]Cc1ccccc1NC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000415944238 499931400 /nfs/dbraw/zinc/93/14/00/499931400.db2.gz OHJOADFXYIGWKC-IBGZPJMESA-N 2 0 352.482 3.192 20 0 FGADRP [NH3+]Cc1cc(NC(=O)N2CCC([NH+]3CCCC3)CC2)cc(C(F)(F)F)c1 ZINC000415960038 499933679 /nfs/dbraw/zinc/93/36/79/499933679.db2.gz AORLOLOJNKPACB-UHFFFAOYSA-N 2 0 370.419 3.256 20 0 FGADRP CC(C)Oc1ccc([C@H](CNC(=O)Nc2ccc(C[NH3+])cc2)[NH+](C)C)cc1 ZINC000415960256 499933729 /nfs/dbraw/zinc/93/37/29/499933729.db2.gz PUXXOTHAWOMGHU-FQEVSTJZSA-N 2 0 370.497 3.357 20 0 FGADRP CC[C@@H](C)[NH2+][C@H](CNC(=O)Nc1ccc2c(c1)C[NH2+]CCO2)c1ccco1 ZINC000415979738 499936816 /nfs/dbraw/zinc/93/68/16/499936816.db2.gz XUIOOOVPVQVPAV-RHSMWYFYSA-N 2 0 372.469 3.013 20 0 FGADRP CCc1ccc([C@@H](CNC(=O)Nc2ccc(C[NH2+]C)cc2)[NH+](C)C)cc1 ZINC000415993081 499938616 /nfs/dbraw/zinc/93/86/16/499938616.db2.gz SLDIRUCEAQPOOB-HXUWFJFHSA-N 2 0 354.498 3.393 20 0 FGADRP C[C@H](Cc1ccccc1C(F)(F)F)[NH2+]CCCC[NH+]1CCN(C)CC1 ZINC000573300735 506165834 /nfs/dbraw/zinc/16/58/34/506165834.db2.gz MVFIXYCHEHEGIQ-MRXNPFEDSA-N 2 0 357.464 3.254 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N[C@H](CCC[NH3+])c1ccccc1 ZINC000417041319 499956057 /nfs/dbraw/zinc/95/60/57/499956057.db2.gz KZWXILWXSCFCMM-UYAOXDASSA-N 2 0 360.546 3.420 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1)CC(C)C ZINC000570438146 506167888 /nfs/dbraw/zinc/16/78/88/506167888.db2.gz RVZZYTWWHFUUJL-HKUYNNGSSA-N 2 0 354.583 3.115 20 0 FGADRP C[C@@H]1CCC[C@](CNC(=O)N[C@@H](CCC[NH3+])c2ccccc2)([NH+](C)C)C1 ZINC000417209674 500005997 /nfs/dbraw/zinc/00/59/97/500005997.db2.gz CUAALOLAEHSIFM-LMNJBCLMSA-N 2 0 360.546 3.276 20 0 FGADRP CC(C)(C)OC(=O)CC[N@H+](CCC[NH+]1CCCCC1)C1CCOCC1 ZINC000570448032 506169930 /nfs/dbraw/zinc/16/99/30/506169930.db2.gz IGNTUXQRORMLQH-UHFFFAOYSA-N 2 0 354.535 3.075 20 0 FGADRP C[N@H+](Cc1ccccc1CNC(=O)N[C@@H]1CC[C@@H](C[NH3+])C1)C1CCCCC1 ZINC000417229880 500011984 /nfs/dbraw/zinc/01/19/84/500011984.db2.gz YCUKOZGROBSOKC-YLJYHZDGSA-N 2 0 372.557 3.378 20 0 FGADRP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N[C@@H](CCC[NH3+])c2ccccc2)C1 ZINC000417240868 500015473 /nfs/dbraw/zinc/01/54/73/500015473.db2.gz QDEDDZLHOZIGCI-HKUYNNGSSA-N 2 0 360.546 3.276 20 0 FGADRP C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)N[C@H]2CCC[C@H]2C[NH3+])c1 ZINC000429163667 500017062 /nfs/dbraw/zinc/01/70/62/500017062.db2.gz NUWZQUSLCUGGKS-SFTDATJTSA-N 2 0 351.494 3.176 20 0 FGADRP CC(C)[C@](C)(C[NH3+])NC(=O)c1cccc(C[N@H+](C)Cc2ccccc2)c1 ZINC000429266584 500038376 /nfs/dbraw/zinc/03/83/76/500038376.db2.gz JDQGDJWQPIVCFG-QFIPXVFZSA-N 2 0 353.510 3.422 20 0 FGADRP C[C@@H]([NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1)[C@@H]1C[C@H]1c1cccs1 ZINC000417318973 500038818 /nfs/dbraw/zinc/03/88/18/500038818.db2.gz ZYAMTVQJOBSTKO-AYOQOUSVSA-N 2 0 371.550 3.321 20 0 FGADRP Cc1ccc([C@@H](CNC(=O)N(C)CC[C@@H]([NH3+])C(C)C)[NH+]2CCCC2)cc1 ZINC000417356882 500047416 /nfs/dbraw/zinc/04/74/16/500047416.db2.gz QMOFFSRXEAODEX-WOJBJXKFSA-N 2 0 360.546 3.147 20 0 FGADRP COC1(C[C@H](C)[NH2+]CCCN2CC[N@H+](C)C[C@@H]2c2ccccc2)CCC1 ZINC000429520488 500092951 /nfs/dbraw/zinc/09/29/51/500092951.db2.gz SONZZJAVRMSRSY-PZJWPPBQSA-N 2 0 359.558 3.303 20 0 FGADRP CC(C)c1ccc([C@@H]([NH3+])CNC(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)cc1 ZINC000417537155 500100454 /nfs/dbraw/zinc/10/04/54/500100454.db2.gz CPKXFPHIKWNIOF-XLIONFOSSA-N 2 0 360.546 3.229 20 0 FGADRP O=C(NCC[NH2+]C1CCCCCC1)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000416817656 500128522 /nfs/dbraw/zinc/12/85/22/500128522.db2.gz KFEMREDWOXMBAC-GOSISDBHSA-N 2 0 362.518 3.028 20 0 FGADRP [NH3+]CCC[C@H](NC(=O)NC[C@H](c1ccco1)[NH+]1CCCC1)c1ccccc1 ZINC000416837191 500134641 /nfs/dbraw/zinc/13/46/41/500134641.db2.gz WWQAPINGSKMWER-RBUKOAKNSA-N 2 0 370.497 3.196 20 0 FGADRP C[C@H]([NH3+])c1ccc(CNC(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)cc1 ZINC000416840301 500135264 /nfs/dbraw/zinc/13/52/64/500135264.db2.gz LATJGJBAYAIWFW-MAUKXSAKSA-N 2 0 372.538 3.404 20 0 FGADRP C[C@H]([NH3+])c1ccc(CNC(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2)cc1 ZINC000417644544 500136060 /nfs/dbraw/zinc/13/60/60/500136060.db2.gz AJPUHKOZRFJMOM-LAUBAEHRSA-N 2 0 366.509 3.170 20 0 FGADRP CCc1ccc([C@H](CNC(=O)NCc2ccc([C@@H](C)[NH3+])cc2)[NH+](C)C)cc1 ZINC000416847221 500137138 /nfs/dbraw/zinc/13/71/38/500137138.db2.gz UYQBVCCFEVPJIW-IERDGZPVSA-N 2 0 368.525 3.371 20 0 FGADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H](O)COc2ccc(C(C)(C)C)cc2)[C@H](C)C1 ZINC000429785226 500144819 /nfs/dbraw/zinc/14/48/19/500144819.db2.gz LLCYZXOAQFBAPO-QFUCXCTJSA-N 2 0 362.558 3.386 20 0 FGADRP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)NC[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000417686445 500148777 /nfs/dbraw/zinc/14/87/77/500148777.db2.gz GLIZCQNMWRQUDV-ZIFCJYIRSA-N 2 0 358.530 3.029 20 0 FGADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCOc2ccc(C(=O)OC)cc2Cl)[C@H](C)C1 ZINC000429811380 500149188 /nfs/dbraw/zinc/14/91/88/500149188.db2.gz WPKYEMABXJEQGU-RHSMWYFYSA-N 2 0 368.905 3.168 20 0 FGADRP CCC(CC)(CNC(=O)NC[C@@H]1CCC[NH2+]C1)[NH2+][C@H](C)c1ccccc1 ZINC000417695338 500150385 /nfs/dbraw/zinc/15/03/85/500150385.db2.gz BDJCPBBXNQZJRP-QZTJIDSGSA-N 2 0 360.546 3.195 20 0 FGADRP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)N[C@@H](C[NH3+])C2CCCC2)CC1 ZINC000417698273 500150931 /nfs/dbraw/zinc/15/09/31/500150931.db2.gz XGYTVFSLPJZXSZ-JXFKEZNVSA-N 2 0 358.530 3.029 20 0 FGADRP CCC(CC)(CNC(=O)N1CC[C@H]([C@@H](C)[NH3+])C1)[NH2+][C@@H](C)c1ccccc1 ZINC000417697764 500151312 /nfs/dbraw/zinc/15/13/12/500151312.db2.gz FEOMAYHXWPXBGE-AOIWGVFYSA-N 2 0 360.546 3.275 20 0 FGADRP CCC(CC)(CNC(=O)N1CC[C@](C)(C[NH3+])C1)[NH2+][C@H](C)c1ccccc1 ZINC000417701995 500152900 /nfs/dbraw/zinc/15/29/00/500152900.db2.gz JZYADFJENSXQAO-YLJYHZDGSA-N 2 0 360.546 3.276 20 0 FGADRP C[C@H](CCCC[NH3+])NC(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCCC1 ZINC000417710107 500154507 /nfs/dbraw/zinc/15/45/07/500154507.db2.gz UHSNISMLFSQRAX-MSOLQXFVSA-N 2 0 360.546 3.467 20 0 FGADRP C[NH2+]C[C@H]1CCCN1C(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCCC1 ZINC000417712357 500154924 /nfs/dbraw/zinc/15/49/24/500154924.db2.gz WTDKRYIAHQCFEE-PKOBYXMFSA-N 2 0 358.530 3.043 20 0 FGADRP CC(C)[C@@H](C[NH2+][C@@H](C)Cc1ccc(F)cc1Cl)N1CC[NH+](C)CC1 ZINC000421821401 500158907 /nfs/dbraw/zinc/15/89/07/500158907.db2.gz REOXHIHONGRXKV-HNAYVOBHSA-N 2 0 355.929 3.272 20 0 FGADRP C[NH2+]C[C@H]1CCCN(C(=O)NCc2ccccc2C[N@@H+]2CCC[C@H](C)C2)C1 ZINC000416966665 500168692 /nfs/dbraw/zinc/16/86/92/500168692.db2.gz FVCQXCROPHUIST-RBUKOAKNSA-N 2 0 372.557 3.060 20 0 FGADRP C[C@@H]([NH3+])C1CCN(C(=O)NCc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)CC1 ZINC000416968898 500169133 /nfs/dbraw/zinc/16/91/33/500169133.db2.gz BADPLZOGYSNKPW-ZWKOTPCHSA-N 2 0 372.557 3.330 20 0 FGADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000416968381 500169249 /nfs/dbraw/zinc/16/92/49/500169249.db2.gz IXJMBLXHOPUVJZ-GHTZIAJQSA-N 2 0 374.573 3.433 20 0 FGADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000416970820 500170665 /nfs/dbraw/zinc/17/06/65/500170665.db2.gz OGGJVWWDLSPCQL-IBGZPJMESA-N 2 0 360.546 3.104 20 0 FGADRP C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)NCCC2=CC[NH2+]CC2)C1 ZINC000416970829 500170674 /nfs/dbraw/zinc/17/06/74/500170674.db2.gz OIMRFSTZFBYVNW-GOSISDBHSA-N 2 0 370.541 3.028 20 0 FGADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000416970555 500170981 /nfs/dbraw/zinc/17/09/81/500170981.db2.gz NYYUPILFTZNANH-NRFANRHFSA-N 2 0 372.557 3.200 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)NCCC[C@@H]2CCC[NH2+]2)cc1 ZINC000416981028 500173988 /nfs/dbraw/zinc/17/39/88/500173988.db2.gz UOYDHABDMWFVMY-NQIIRXRSSA-N 2 0 372.557 3.392 20 0 FGADRP CCCN(C(=O)NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1)[C@@H]1CC[NH2+]C1 ZINC000416985033 500175715 /nfs/dbraw/zinc/17/57/15/500175715.db2.gz YJBONBJTOYRJQI-GHTZIAJQSA-N 2 0 372.557 3.345 20 0 FGADRP C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)N3CCC(C[NH3+])CC3)cc2)C1 ZINC000416987743 500176307 /nfs/dbraw/zinc/17/63/07/500176307.db2.gz KKPMMWJEYJTLMW-ROUUACIJSA-N 2 0 372.557 3.045 20 0 FGADRP C[C@H](C[NH3+])N(C)C(=O)NCCC[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000417826114 500179856 /nfs/dbraw/zinc/17/98/56/500179856.db2.gz MHMWGQZPWVWXBO-LJQANCHMSA-N 2 0 368.525 3.068 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)N3CC[C@H]([NH3+])[C@H](C)C3)cc2)C1 ZINC000417001205 500180909 /nfs/dbraw/zinc/18/09/09/500180909.db2.gz ZOHCNIMDMURZBF-IIMDRIAPSA-N 2 0 372.557 3.043 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)N(C)C2CC[NH2+]CC2)C1 ZINC000417001527 500180948 /nfs/dbraw/zinc/18/09/48/500180948.db2.gz MVZSZRGIUHRLLL-HDICACEKSA-N 2 0 372.557 3.058 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)N3CC[C@@H]([NH3+])[C@@H](C)C3)cc2)C1 ZINC000417001207 500181197 /nfs/dbraw/zinc/18/11/97/500181197.db2.gz ZOHCNIMDMURZBF-TWFHAPMSSA-N 2 0 372.557 3.043 20 0 FGADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000417843636 500182508 /nfs/dbraw/zinc/18/25/08/500182508.db2.gz QVEGVOIPQSECDR-YSIASYRMSA-N 2 0 360.546 3.054 20 0 FGADRP C[NH2+]CCC1CCN(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000417843037 500182775 /nfs/dbraw/zinc/18/27/75/500182775.db2.gz QDEREZIVFKRAMQ-GHTZIAJQSA-N 2 0 372.557 3.071 20 0 FGADRP CC(C)c1ccc([C@@H]([NH3+])CNC(=O)NC[C@H](c2ccsc2)[NH+](C)C)cc1 ZINC000417018778 500185325 /nfs/dbraw/zinc/18/53/25/500185325.db2.gz QJOKWOKPYQFUKW-RBUKOAKNSA-N 2 0 374.554 3.473 20 0 FGADRP CCCC[N@H+](CC)Cc1cccc(CNC(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)c1 ZINC000417873350 500188627 /nfs/dbraw/zinc/18/86/27/500188627.db2.gz JDYSUQLTWOKMDE-LEWJYISDSA-N 2 0 372.557 3.060 20 0 FGADRP CCCC[N@H+](CC)Cc1cccc(CNC(=O)N2CC[C@@H]([C@H](C)[NH3+])C2)c1 ZINC000417879476 500190240 /nfs/dbraw/zinc/19/02/40/500190240.db2.gz PQEDXZRPCKQVJM-FXAWDEMLSA-N 2 0 360.546 3.187 20 0 FGADRP CC(C)C[C@H](CNC(=O)N[C@@H]1CC[C@@H](C[NH3+])C1)[NH2+][C@@H](C)c1ccccc1 ZINC000417883474 500191276 /nfs/dbraw/zinc/19/12/76/500191276.db2.gz WLIBHLZVXWCJAO-ONCXSQPRSA-N 2 0 360.546 3.179 20 0 FGADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000417922839 500198870 /nfs/dbraw/zinc/19/88/70/500198870.db2.gz JPWNGMVYMUNIET-CTWPCTMYSA-N 2 0 352.567 3.044 20 0 FGADRP CCC([NH3+])(CC)CNC(=O)NCC[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000417933591 500200578 /nfs/dbraw/zinc/20/05/78/500200578.db2.gz XYRPJSIMCFQZDK-HKUYNNGSSA-N 2 0 360.546 3.104 20 0 FGADRP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N1CCCC[C@H]1[C@H]1CCC[NH2+]C1 ZINC000417984127 500209349 /nfs/dbraw/zinc/20/93/49/500209349.db2.gz OMGCILFJCWKMGD-GIVPXCGWSA-N 2 0 372.557 3.071 20 0 FGADRP CCCN(C(=O)N[C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)C1CC[NH2+]CC1 ZINC000417987103 500209972 /nfs/dbraw/zinc/20/99/72/500209972.db2.gz GBECJEPSYBAWIR-QUCCMNQESA-N 2 0 372.557 3.071 20 0 FGADRP C[C@@H](NC(=O)N(CCC[NH3+])CC1CCCC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000417992487 500211156 /nfs/dbraw/zinc/21/11/56/500211156.db2.gz MQAJLQMTXYSWET-MJGOQNOKSA-N 2 0 364.578 3.190 20 0 FGADRP C[C@H]([NH3+])c1ccc(CNC(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000418017106 500214816 /nfs/dbraw/zinc/21/48/16/500214816.db2.gz RZMWDELSLZMSMY-LLGFUMIMSA-N 2 0 366.509 3.026 20 0 FGADRP CC[NH2+]CC1CCN(C(=O)NC[C@]2(C)CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000418035358 500217512 /nfs/dbraw/zinc/21/75/12/500217512.db2.gz AIWOALXENFQUEU-QFIPXVFZSA-N 2 0 372.557 3.072 20 0 FGADRP C[C@@H](CCCC[NH3+])NC(=O)NC[C@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000418042763 500219391 /nfs/dbraw/zinc/21/93/91/500219391.db2.gz YDPSRROURFFRTA-XJKSGUPXSA-N 2 0 374.451 3.125 20 0 FGADRP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)CC[C@@H]([NH3+])c2ccccc2)CC1 ZINC000579470267 506183028 /nfs/dbraw/zinc/18/30/28/506183028.db2.gz CFJLPSMUIMLTTP-DYESRHJHSA-N 2 0 366.509 3.203 20 0 FGADRP CC(C)(C)OC(=O)CC[N@H+](Cc1cccc2nccn21)C1CCOCC1 ZINC000579474179 506183630 /nfs/dbraw/zinc/18/36/30/506183630.db2.gz JBYAXBHKMBBMLU-UHFFFAOYSA-N 2 0 359.470 3.047 20 0 FGADRP Cc1cc(CNC(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)cc(C)n1 ZINC000422212453 500234779 /nfs/dbraw/zinc/23/47/79/500234779.db2.gz QXOKKGYMWDLLEW-IBGZPJMESA-N 2 0 358.530 3.496 20 0 FGADRP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000418156872 500238796 /nfs/dbraw/zinc/23/87/96/500238796.db2.gz NUDDEDGIHRBRJJ-AQNXPRMDSA-N 2 0 372.557 3.104 20 0 FGADRP C[C@H](NC(=O)N(CCC[NH3+])CC1CCCC1)[C@H](c1ccccc1)[NH+](C)C ZINC000418175986 500242907 /nfs/dbraw/zinc/24/29/07/500242907.db2.gz GNDRHSKTYGPAAA-FXAWDEMLSA-N 2 0 360.546 3.228 20 0 FGADRP C[C@H](CCCC[NH3+])NC(=O)NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000418233515 500253686 /nfs/dbraw/zinc/25/36/86/500253686.db2.gz ISFXEAZSWPJCAC-QUCCMNQESA-N 2 0 360.546 3.105 20 0 FGADRP CC[NH2+]CC1CC[NH+](Cc2nn(-c3ccc(F)cc3)c3c2CCC3)CC1 ZINC000430568077 500256024 /nfs/dbraw/zinc/25/60/24/500256024.db2.gz CDZKVKXPPFFTKV-UHFFFAOYSA-N 2 0 356.489 3.322 20 0 FGADRP CC[NH2+]CC1CC[NH+]([C@H](C)C(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)CC1 ZINC000430572083 500256640 /nfs/dbraw/zinc/25/66/40/500256640.db2.gz NFDSQJWCLLJYET-ZWKOTPCHSA-N 2 0 371.569 3.453 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H]2CCN(c3ccccc3F)C2)[C@@H](C)C1 ZINC000426288633 500256956 /nfs/dbraw/zinc/25/69/56/500256956.db2.gz KIOLDJJFSHMMLN-BJLQDIEVSA-N 2 0 363.521 3.131 20 0 FGADRP CC(C)c1nnc(CC[NH2+][C@@H](C)c2ccc(OCC[NH+](C)C)cc2)s1 ZINC000426295043 500257805 /nfs/dbraw/zinc/25/78/05/500257805.db2.gz LMTDINLGCMGRNP-HNNXBMFYSA-N 2 0 362.543 3.495 20 0 FGADRP CCCN(C(=O)NC[C@@H]1CCC[NH2+]C1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000418308491 500260799 /nfs/dbraw/zinc/26/07/99/500260799.db2.gz BTNCTBOGGKXYQN-NHCUHLMSSA-N 2 0 372.557 3.072 20 0 FGADRP CC(C)c1ccc([C@H]([NH3+])CNC(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)cc1 ZINC000418321782 500261858 /nfs/dbraw/zinc/26/18/58/500261858.db2.gz CQOAGGMKEMQPHB-LEWJYISDSA-N 2 0 372.557 3.183 20 0 FGADRP CCN(C(=O)NCC[C@@H]1CCC[NH2+]C1)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000418350122 500266714 /nfs/dbraw/zinc/26/67/14/500266714.db2.gz QPVDRDFTONZCDT-SVFBPWRDSA-N 2 0 372.557 3.243 20 0 FGADRP CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000418355007 500267777 /nfs/dbraw/zinc/26/77/77/500267777.db2.gz FJGADPTVKXTTNO-CTNGQTDRSA-N 2 0 372.557 3.058 20 0 FGADRP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@H]1CCCCCC[C@H]1[NH3+] ZINC000430704602 500272665 /nfs/dbraw/zinc/27/26/65/500272665.db2.gz IQTWHEHSEOHBKZ-PWRODBHTSA-N 2 0 357.542 3.265 20 0 FGADRP CC[N@H+](CCC1CCN(C(=O)N[C@H]2CCCC[C@@H]2C[NH3+])CC1)CC1CC1 ZINC000418407028 500272837 /nfs/dbraw/zinc/27/28/37/500272837.db2.gz FPBDPAFXEJOPAX-UXHICEINSA-N 2 0 364.578 3.048 20 0 FGADRP CC(C)C[C@H](C[NH3+])NC(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000418422198 500273955 /nfs/dbraw/zinc/27/39/55/500273955.db2.gz COOYPFCVOZWEBV-IFMALSPDSA-N 2 0 372.557 3.058 20 0 FGADRP CC[N@H+](CCC1CCN(C(=O)N[C@H](C[NH3+])CC(C)C)CC1)CC(C)C ZINC000418427559 500275333 /nfs/dbraw/zinc/27/53/33/500275333.db2.gz OEWAAKQIAVBUDP-IBGZPJMESA-N 2 0 354.583 3.149 20 0 FGADRP Cc1cccc(CN(CC[NH+](C)C)C(=O)NCc2ccc([C@H](C)[NH3+])cc2)c1 ZINC000418461499 500280205 /nfs/dbraw/zinc/28/02/05/500280205.db2.gz LXXUHFLVQJMJOX-SFHVURJKSA-N 2 0 368.525 3.288 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)NC[C@@]2(C)CCC[NH2+]C2)CC1 ZINC000418525176 500287054 /nfs/dbraw/zinc/28/70/54/500287054.db2.gz XODPHFWVZBONKY-NQIIRXRSSA-N 2 0 364.578 3.062 20 0 FGADRP CN(C)C[C@H](Cc1ccccc1)[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422713852 500288590 /nfs/dbraw/zinc/28/85/90/500288590.db2.gz KJEUSGAIHSNONN-XKCSPQBFSA-N 2 0 365.521 3.005 20 0 FGADRP CC(=O)Nc1ccc(CC[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422710905 500288594 /nfs/dbraw/zinc/28/85/94/500288594.db2.gz GKGZCNQKKKCTKG-UNMCSNQZSA-N 2 0 365.477 3.033 20 0 FGADRP COc1cccc(OC)c1Oc1ccc(C[NH2+][C@@H]2CCC[C@H]2C[NH3+])cn1 ZINC000422719728 500289195 /nfs/dbraw/zinc/28/91/95/500289195.db2.gz MHTGIQNPEPAJCM-JKSUJKDBSA-N 2 0 357.454 3.108 20 0 FGADRP COC[C@@H](CCC[NH3+])[NH2+][C@H](Cn1cnc2ccccc21)c1ccc(F)cc1 ZINC000422715715 500289603 /nfs/dbraw/zinc/28/96/03/500289603.db2.gz MLPYAEXCMWOQLH-UYAOXDASSA-N 2 0 370.472 3.260 20 0 FGADRP CCOc1cc(C[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)ccc1OC ZINC000422735057 500292568 /nfs/dbraw/zinc/29/25/68/500292568.db2.gz UKAHBCRWBXEIDE-XMSQKQJNSA-N 2 0 368.477 3.439 20 0 FGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+][C@@H](C)CCCC[NH3+])CC1 ZINC000422746930 500293771 /nfs/dbraw/zinc/29/37/71/500293771.db2.gz XOBIJLYGILMIIZ-IRXDYDNUSA-N 3 0 350.526 3.136 20 0 FGADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C[C@@H](c1ccc(F)cc1)N1CCOCC1 ZINC000422753226 500294416 /nfs/dbraw/zinc/29/44/16/500294416.db2.gz FVPBTCBNDUNNMV-UIFIKXQLSA-N 2 0 363.521 3.099 20 0 FGADRP C[NH+](C)C[C@@H](NC(=O)c1ccc2c(ccn2CCC[NH3+])c1)c1ccccc1 ZINC000430840399 500294619 /nfs/dbraw/zinc/29/46/19/500294619.db2.gz RQMJTRPDMZNZMU-HXUWFJFHSA-N 2 0 364.493 3.023 20 0 FGADRP FC(F)Oc1ccccc1N1CC[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)C1 ZINC000422756783 500294668 /nfs/dbraw/zinc/29/46/68/500294668.db2.gz IAMCQOODBFTMHQ-YLFCFFPRSA-N 2 0 365.468 3.377 20 0 FGADRP CCOC(=O)C1([C@@H](C)[NH2+]CCCSc2ccc(F)cc2)CC[NH2+]CC1 ZINC000422769874 500295703 /nfs/dbraw/zinc/29/57/03/500295703.db2.gz VJWXQQJUZXYPMM-OAHLLOKOSA-N 2 0 368.518 3.219 20 0 FGADRP COc1ccc([C@@H](Cc2ccccc2C)[NH2+][C@@H](C)C2C[NH2+]C2)cc1OC ZINC000422778446 500296727 /nfs/dbraw/zinc/29/67/27/500296727.db2.gz HMBNLFYOWSYILE-OXJNMPFZSA-N 2 0 354.494 3.494 20 0 FGADRP c1cc(C[NH+]2CCCCCC2)ccc1C[NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000422779899 500296851 /nfs/dbraw/zinc/29/68/51/500296851.db2.gz JOTRDXPKMYSCIS-XPWALMASSA-N 3 0 371.569 3.309 20 0 FGADRP Fc1ccc(-n2ccc(CC[NH2+][C@@H]3CCC[C@@H]3[C@H]3CCCC[NH2+]3)n2)cc1 ZINC000422789322 500297951 /nfs/dbraw/zinc/29/79/51/500297951.db2.gz OBFQIYAXICTEKD-NJDAHSKKSA-N 2 0 356.489 3.454 20 0 FGADRP Fc1ccc(N2CCOCC2)c(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)c1 ZINC000422789529 500297975 /nfs/dbraw/zinc/29/79/75/500297975.db2.gz UACDBWNQHCMSAR-VAMGGRTRSA-N 2 0 361.505 3.063 20 0 FGADRP CCOC(=O)C1([C@@H](C)[NH2+][C@H](c2ccc(OC)cc2)C(C)C)CC[NH2+]CC1 ZINC000422793254 500298193 /nfs/dbraw/zinc/29/81/93/500298193.db2.gz WUJPOCOMCZOLMT-APWZRJJASA-N 2 0 362.514 3.303 20 0 FGADRP C[C@H](C[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)Oc1ccccc1F ZINC000422791274 500298445 /nfs/dbraw/zinc/29/84/45/500298445.db2.gz QBYUYANLEGKBBJ-FYINFDKHSA-N 2 0 356.441 3.439 20 0 FGADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]Cc1cccc(NC(=O)C2CCC2)c1 ZINC000422809033 500300280 /nfs/dbraw/zinc/30/02/80/500300280.db2.gz RDDCDBBSPTXNBU-CQSZACIVSA-N 2 0 352.482 3.438 20 0 FGADRP COc1ccc(C[NH2+][C@H](C)c2ccc(C[NH3+])nc2C)cc1OC(F)F ZINC000422812234 500301418 /nfs/dbraw/zinc/30/14/18/500301418.db2.gz QGNGTDDFFSIENA-LLVKDONJSA-N 2 0 351.397 3.310 20 0 FGADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]CCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000422819396 500301721 /nfs/dbraw/zinc/30/17/21/500301721.db2.gz NAYKJAFVIKGPED-SIKLNZKXSA-N 3 0 359.558 3.035 20 0 FGADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]CCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000422821968 500302902 /nfs/dbraw/zinc/30/29/02/500302902.db2.gz ZLQPBTPIKOSNDG-RBBKRZOGSA-N 3 0 359.558 3.165 20 0 FGADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000422837102 500304056 /nfs/dbraw/zinc/30/40/56/500304056.db2.gz LJKZHGXWWKAICH-TVTNDZMWSA-N 2 0 352.526 3.410 20 0 FGADRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1 ZINC000422837643 500304088 /nfs/dbraw/zinc/30/40/88/500304088.db2.gz MQTFMTLELFSHGW-RXVVDRJESA-N 3 0 359.558 3.044 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)C1 ZINC000418678432 500306442 /nfs/dbraw/zinc/30/64/42/500306442.db2.gz CKCAPESTJKMLCM-UAFMIMERSA-N 2 0 364.578 3.048 20 0 FGADRP C[C@H]([NH3+])C1CC[NH+](Cc2nc(-c3cccc(C(F)(F)F)c3)no2)CC1 ZINC000430917154 500306689 /nfs/dbraw/zinc/30/66/89/500306689.db2.gz COKMUYWZIKNASX-NSHDSACASA-N 2 0 354.376 3.315 20 0 FGADRP Cc1ccc(C[NH2+][C@@H](C)c2ccc(C[NH3+])nc2C)c(O[C@H]2CCOC2)c1 ZINC000422872280 500308041 /nfs/dbraw/zinc/30/80/41/500308041.db2.gz GLIKMFQXJIYGAS-KXBFYZLASA-N 2 0 355.482 3.176 20 0 FGADRP COc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)cc1Br ZINC000422874475 500308940 /nfs/dbraw/zinc/30/89/40/500308940.db2.gz ACRAARHTGDVQRV-FVQBIDKESA-N 2 0 353.304 3.468 20 0 FGADRP COc1ccc(CC[NH2+][C@H](Cc2ccccc2)[C@H](C)[NH3+])cc1OC(F)F ZINC000422878886 500309373 /nfs/dbraw/zinc/30/93/73/500309373.db2.gz LEDMSNFKFUYOHZ-WMLDXEAASA-N 2 0 364.436 3.387 20 0 FGADRP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)N[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422878225 500309710 /nfs/dbraw/zinc/30/97/10/500309710.db2.gz JPVQZBSQVBDNNW-FIEIAYSHSA-N 2 0 357.542 3.198 20 0 FGADRP CC[NH+]1CCN(Cc2ccc(CN[C@@H]3C[C@H]([NH3+])c4ccccc43)cc2)CC1 ZINC000422890200 500311540 /nfs/dbraw/zinc/31/15/40/500311540.db2.gz HWPRIONNFJTZJG-XZOQPEGZSA-N 2 0 364.537 3.059 20 0 FGADRP C[C@@H](C[C@H]1COCCN1)[NH2+]Cc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000422892057 500311740 /nfs/dbraw/zinc/31/17/40/500311740.db2.gz LWSXYYQAJKBPSC-WEMPKCCASA-N 2 0 359.558 3.021 20 0 FGADRP C[C@H]([NH3+])C1CC[NH+](CC(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)CC1 ZINC000430948061 500311786 /nfs/dbraw/zinc/31/17/86/500311786.db2.gz GYBAZZMPQAUGMI-RYUDHWBXSA-N 2 0 358.313 3.230 20 0 FGADRP C[C@@H]([NH3+])C1CC[NH+](CCC(=O)NC(c2ccccc2)c2ccccc2)CC1 ZINC000430947086 500311915 /nfs/dbraw/zinc/31/19/15/500311915.db2.gz CXRBSYDKCIHMSA-GOSISDBHSA-N 2 0 365.521 3.342 20 0 FGADRP O[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)COc1cccc(Cl)c1Cl ZINC000422898229 500312965 /nfs/dbraw/zinc/31/29/65/500312965.db2.gz DSWBKWMJTKVGBC-LUYZLQTOSA-N 2 0 373.324 3.243 20 0 FGADRP [NH3+]CC1CCC([NH2+]C[C@H]2CCN(c3cccc(Br)c3)C2)CC1 ZINC000422897146 500313075 /nfs/dbraw/zinc/31/30/75/500313075.db2.gz JEHKDQHLPKEDCA-ISXOHVOVSA-N 2 0 366.347 3.383 20 0 FGADRP CC[C@@H]([NH2+]C[C@@H]1CCN(c2cccc(Br)c2)C1)[C@@H]1CCC[NH2+]1 ZINC000422899693 500313164 /nfs/dbraw/zinc/31/31/64/500313164.db2.gz OXLJXSJPTAIPOR-QGTPRVQTSA-N 2 0 366.347 3.396 20 0 FGADRP Cc1cc(Cl)ccc1OCCC[NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000422897116 500313200 /nfs/dbraw/zinc/31/32/00/500313200.db2.gz JAIFLMMYAHNRAO-FGTMMUONSA-N 2 0 352.906 3.164 20 0 FGADRP C[C@H](C[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)N(C)Cc1ccccc1 ZINC000422901122 500313938 /nfs/dbraw/zinc/31/39/38/500313938.db2.gz BQRFPIKUVIHDBO-JMUQELJHSA-N 2 0 365.521 3.352 20 0 FGADRP CCOC(=O)C1([C@@H](C)[NH2+]CCc2c[nH]c3c2cccc3CC)CC[NH2+]CC1 ZINC000422916004 500316394 /nfs/dbraw/zinc/31/63/94/500316394.db2.gz ZOHNEMLTYCWZCV-MRXNPFEDSA-N 2 0 371.525 3.184 20 0 FGADRP c1sc(CC[NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)nc1C1CCCCC1 ZINC000422913806 500316409 /nfs/dbraw/zinc/31/64/09/500316409.db2.gz QTKYNOKHFFLKSP-OKZBNKHCSA-N 2 0 363.571 3.480 20 0 FGADRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1 ZINC000422916527 500316510 /nfs/dbraw/zinc/31/65/10/500316510.db2.gz DJQJYNJRJCFZNJ-PXNSSMCTSA-N 2 0 372.557 3.107 20 0 FGADRP CCOC(=O)C1([C@H](C)[NH2+]C[C@H](CC)Oc2ccccc2C)CC[NH2+]CC1 ZINC000422919353 500316961 /nfs/dbraw/zinc/31/69/61/500316961.db2.gz JQOIQWFFDXOIFC-ROUUACIJSA-N 2 0 362.514 3.063 20 0 FGADRP CCOC(=O)C1([C@H](C)[NH2+]C[C@H](C)Oc2ccccc2Cl)CC[NH2+]CC1 ZINC000422919971 500317204 /nfs/dbraw/zinc/31/72/04/500317204.db2.gz LGLQBKBCDJTGJH-GJZGRUSLSA-N 2 0 368.905 3.018 20 0 FGADRP C[C@H]([NH3+])C[C@H](C)[NH2+]CC1(c2cccc(Br)c2)CCOCC1 ZINC000422934732 500318892 /nfs/dbraw/zinc/31/88/92/500318892.db2.gz DAFPPAFJENLFOJ-KBPBESRZSA-N 2 0 355.320 3.213 20 0 FGADRP C[C@@H](CCCC[NH3+])[NH2+][C@@H](C)c1cc2c(cc1Br)OCCO2 ZINC000422935758 500319629 /nfs/dbraw/zinc/31/96/29/500319629.db2.gz DNTAHOLZEPLUKC-RYUDHWBXSA-N 2 0 357.292 3.388 20 0 FGADRP C[C@@H](CC(=O)Nc1ccc(OCC[N@@H+]2CC[C@@H](C)C2)cc1)[C@H]1CCC[NH2+]C1 ZINC000431011176 500322681 /nfs/dbraw/zinc/32/26/81/500322681.db2.gz BILPCBYOCHPUOA-QYZOEREBSA-N 2 0 373.541 3.372 20 0 FGADRP C[C@H](CC(=O)Nc1ccc(OCC[N@@H+]2CC[C@@H](C)C2)cc1)[C@H]1CCC[NH2+]C1 ZINC000431011175 500322750 /nfs/dbraw/zinc/32/27/50/500322750.db2.gz BILPCBYOCHPUOA-QRVBRYPASA-N 2 0 373.541 3.372 20 0 FGADRP Fc1ccc(OCC[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1F ZINC000422960782 500323936 /nfs/dbraw/zinc/32/39/36/500323936.db2.gz XRTGZZXPSFVZLV-ICSRJNTNSA-N 2 0 360.404 3.189 20 0 FGADRP C[C@H]([NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)[C@H]1COc2ccccc21 ZINC000423004663 500329545 /nfs/dbraw/zinc/32/95/45/500329545.db2.gz POLLXESDAANQKA-KBZIOIMTSA-N 2 0 350.462 3.397 20 0 FGADRP c1cc(OCC[NH+]2CCCC2)ccc1CC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000423012851 500331162 /nfs/dbraw/zinc/33/11/62/500331162.db2.gz DTCYOJWDZHTOJL-ZLNRFVROSA-N 3 0 371.569 3.214 20 0 FGADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]CCc1csc(-c2ccc(Cl)cc2)n1 ZINC000423017883 500331545 /nfs/dbraw/zinc/33/15/45/500331545.db2.gz XGHRLUXELGQEAW-JCURWCKSSA-N 2 0 365.930 3.348 20 0 FGADRP C[C@@H]([NH2+]C1CCN(C(=O)c2ccccc2C(F)(F)F)CC1)[C@@H]1CCC[NH2+]1 ZINC000423056289 500336144 /nfs/dbraw/zinc/33/61/44/500336144.db2.gz XGKCMHVVARUMOZ-DYVFJYSZSA-N 2 0 369.431 3.040 20 0 FGADRP Fc1cccc2c1OCC[C@@H]2[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423061899 500336929 /nfs/dbraw/zinc/33/69/29/500336929.db2.gz RWDQRKUQMYXCJH-WAOWUJCRSA-N 2 0 354.425 3.495 20 0 FGADRP CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)C1(C[NH+](C)C)CCCCC1 ZINC000426927792 500337262 /nfs/dbraw/zinc/33/72/62/500337262.db2.gz WGCOCEQILPBHHP-UHFFFAOYSA-N 2 0 372.557 3.269 20 0 FGADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]C[C@@H]1CSCCN1Cc1ccccc1 ZINC000423068948 500337893 /nfs/dbraw/zinc/33/78/93/500337893.db2.gz AJFHKAQSVRDIPW-BWAGFHJFSA-N 2 0 369.578 3.152 20 0 FGADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]CCc1c[nH]c2cc(Cl)cc(Cl)c12 ZINC000423071245 500338477 /nfs/dbraw/zinc/33/84/77/500338477.db2.gz HOQYUOLCSNTJOS-PSOPSSQASA-N 2 0 356.297 3.359 20 0 FGADRP COC(=O)c1csc(-c2cccc(C[NH2+][C@@H]3CC[NH2+]CC[C@@H]3C)c2)n1 ZINC000423072734 500338767 /nfs/dbraw/zinc/33/87/67/500338767.db2.gz JSAGGRIUAZWLCK-XJKSGUPXSA-N 2 0 359.495 3.074 20 0 FGADRP C[C@@H](CCC[NH3+])[NH2+][C@H](CO)c1ccc(Br)cc1C(F)(F)F ZINC000423099358 500341736 /nfs/dbraw/zinc/34/17/36/500341736.db2.gz TXOVNJBBLDNXKP-TVQRCGJNSA-N 2 0 369.225 3.218 20 0 FGADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]C[C@@H](OCC1CC1)c1ccc(Cl)cc1 ZINC000423099532 500341875 /nfs/dbraw/zinc/34/18/75/500341875.db2.gz FJKZHMAKFYXQET-ZQEOTTOMSA-N 2 0 352.906 3.150 20 0 FGADRP C[NH+]1CCC(Oc2ccc(CN[C@H]3C[C@H]([NH3+])c4ccccc43)cc2)CC1 ZINC000423101498 500342762 /nfs/dbraw/zinc/34/27/62/500342762.db2.gz IYLILIVNMLWSGZ-VXKWHMMOSA-N 2 0 351.494 3.394 20 0 FGADRP CC(C)OCCOC1CC[NH+]([C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000423154089 500348918 /nfs/dbraw/zinc/34/89/18/500348918.db2.gz IQXNSLFVRIAATG-UNMCSNQZSA-N 2 0 374.525 3.148 20 0 FGADRP CO[C@H](C[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)Cc1ccccc1 ZINC000423166018 500350793 /nfs/dbraw/zinc/35/07/93/500350793.db2.gz YXYXCXIQOCYKMB-RCZSKKKRSA-N 2 0 352.478 3.090 20 0 FGADRP FC(F)(F)c1ccc([C@@H]2CC[C@H]([NH2+]CCCN3CC[NH2+]CC3)C2)cc1 ZINC000423176980 500351929 /nfs/dbraw/zinc/35/19/29/500351929.db2.gz DGFSBUVMGNNHAT-AEFFLSMTSA-N 2 0 355.448 3.226 20 0 FGADRP C[C@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1ccc(F)c(I)c1 ZINC000423206527 500354516 /nfs/dbraw/zinc/35/45/16/500354516.db2.gz GAMKNUFXNHFZKB-WDEREUQCSA-N 2 0 362.230 3.081 20 0 FGADRP C[C@H](CCc1ccc(I)cc1)[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000423218782 500356123 /nfs/dbraw/zinc/35/61/23/500356123.db2.gz WBJFOMHALRYLTK-HIFRSBDPSA-N 2 0 372.294 3.202 20 0 FGADRP C[C@@H](CCc1ccc(I)cc1)[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000423254428 500358645 /nfs/dbraw/zinc/35/86/45/500358645.db2.gz YAWBOZMGFUCKDP-ZFWWWQNUSA-N 2 0 372.294 3.202 20 0 FGADRP CC[C@@H]([NH2+]Cc1ccc([C@H](C)[NH3+])cc1)c1ccccc1OCC(=O)N(C)C ZINC000423293388 500361939 /nfs/dbraw/zinc/36/19/39/500361939.db2.gz RETMEJBPMNJLMW-OXJNMPFZSA-N 2 0 369.509 3.414 20 0 FGADRP C[C@@H]([NH2+]CCCC[NH3+])c1cccc(S(=O)(=O)NC2CCCCCC2)c1 ZINC000423321308 500364220 /nfs/dbraw/zinc/36/42/20/500364220.db2.gz FNDDTOMFGVROKE-MRXNPFEDSA-N 2 0 367.559 3.077 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC000427197396 500365598 /nfs/dbraw/zinc/36/55/98/500365598.db2.gz CPNOXWGZCBBILI-QUCCMNQESA-N 2 0 357.542 3.135 20 0 FGADRP COc1cccc(C[C@H](C)[NH2+][C@H]2CNCC[C@H]2c2ccc(F)c(F)c2)n1 ZINC000423373279 500367953 /nfs/dbraw/zinc/36/79/53/500367953.db2.gz RUTRZRTVQPFBKN-AXHNFQJDSA-N 2 0 361.436 3.035 20 0 FGADRP FC(F)(F)[C@H](C[NH2+]C(c1ccccc1)c1ccccc1)N1CC[NH2+]CC1 ZINC000423380731 500369009 /nfs/dbraw/zinc/36/90/09/500369009.db2.gz HOPGHILODRRMPH-SFHVURJKSA-N 2 0 363.427 3.202 20 0 FGADRP CC(C)[C@@H]([NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1cc(F)ccc1F ZINC000423391038 500369499 /nfs/dbraw/zinc/36/94/99/500369499.db2.gz PAVFVVGMBZCFDM-HZPDHXFCSA-N 2 0 365.390 3.088 20 0 FGADRP C[C@H]([NH3+])c1ccc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000423409057 500371939 /nfs/dbraw/zinc/37/19/39/500371939.db2.gz BHNLUVZRXNKTOU-FIKGOQFSSA-N 2 0 351.494 3.347 20 0 FGADRP C[C@H]([NH3+])c1ccc(C(=O)N2CC[C@@H](C)[N@H+](Cc3ccccc3)CC2)cc1 ZINC000423444107 500375568 /nfs/dbraw/zinc/37/55/68/500375568.db2.gz WMOPCAOCUGTMFN-MSOLQXFVSA-N 2 0 351.494 3.443 20 0 FGADRP CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)C[C@H]1CCC[NH2+]CC1 ZINC000427290499 500378531 /nfs/dbraw/zinc/37/85/31/500378531.db2.gz VRFGYFWGIDKWDZ-KRWDZBQOSA-N 2 0 371.529 3.096 20 0 FGADRP C[C@@H](Cc1ccccc1)[NH+]1CCC(N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)CC1 ZINC000423498869 500379391 /nfs/dbraw/zinc/37/93/91/500379391.db2.gz BLTIYODSNOCNJI-WDJPJFJCSA-N 2 0 363.549 3.427 20 0 FGADRP COc1ccccc1NC(=O)C[C@@H](C)[NH2+][C@@H](CCC[NH3+])c1ccccc1 ZINC000423515926 500381182 /nfs/dbraw/zinc/38/11/82/500381182.db2.gz XPWRFQLWSWLGQR-AEFFLSMTSA-N 2 0 355.482 3.482 20 0 FGADRP Cc1cc(NC(=O)C[C@@H]2CCC[NH2+]CC2)ccc1OCC[NH+]1CCCC1 ZINC000427324015 500381453 /nfs/dbraw/zinc/38/14/53/500381453.db2.gz JWSCMUZSONLGBZ-GOSISDBHSA-N 2 0 359.514 3.188 20 0 FGADRP COc1ccc2c(c1)[C@H]([NH2+]C1CCC([NH+]3CCNCC3)CC1)CCS2 ZINC000423523256 500381730 /nfs/dbraw/zinc/38/17/30/500381730.db2.gz VRKSCYBHSHKREW-LADRWXRNSA-N 2 0 361.555 3.038 20 0 FGADRP C[C@H](CC(=O)Nc1ccc(F)cc1)[NH2+]CC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000423528898 500383030 /nfs/dbraw/zinc/38/30/30/500383030.db2.gz OZYJBFUTKMGWQH-XMYZRKPFSA-N 2 0 359.489 3.286 20 0 FGADRP CC1(C)CCC[NH2+][C@H]1CNC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000423603140 500388019 /nfs/dbraw/zinc/38/80/19/500388019.db2.gz FWXRKWGQEMGJRJ-IBGZPJMESA-N 2 0 357.542 3.183 20 0 FGADRP [NH3+][C@@H]1CCCC[C@@H]1CC(=O)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000423742594 500398121 /nfs/dbraw/zinc/39/81/21/500398121.db2.gz JCEYSQQUKRKNPB-NHCUHLMSSA-N 2 0 357.542 3.061 20 0 FGADRP C[NH+](C)[C@H](CC(=O)N1CCC[N@H+](Cc2ccccc2)CC1)c1ccccc1 ZINC000431621260 500399594 /nfs/dbraw/zinc/39/95/94/500399594.db2.gz LPUPFFBWOMWAFP-JOCHJYFZSA-N 2 0 365.521 3.414 20 0 FGADRP C[C@H](C(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)cc1)[C@@H]([NH3+])c1ccccc1 ZINC000423777838 500400747 /nfs/dbraw/zinc/40/07/47/500400747.db2.gz SJKBNBYPWCOZAT-GDIGMMSISA-N 2 0 359.901 3.395 20 0 FGADRP C[C@H](CC(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)cc1)[C@H]1CCC[NH2+]C1 ZINC000423775034 500400884 /nfs/dbraw/zinc/40/08/84/500400884.db2.gz OKXIRNYWGYKYQR-HFTRVMKXSA-N 2 0 351.922 3.085 20 0 FGADRP C[C@H](NC(=O)[C@@H]1CCCCCC[C@@H]1[NH3+])[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423862238 500413538 /nfs/dbraw/zinc/41/35/38/500413538.db2.gz FUDPBXUTJJCGJZ-WJMWBRGCSA-N 2 0 357.542 3.311 20 0 FGADRP C[C@@H]1C[C@H](CCNC(=O)[C@@H]2CCCC[C@@]2(C)[NH3+])C[N@@H+]1Cc1ccccc1 ZINC000423892531 500416802 /nfs/dbraw/zinc/41/68/02/500416802.db2.gz CBGFGNIWOPQCEJ-IWLVTHKOSA-N 2 0 357.542 3.311 20 0 FGADRP C[C@@H]1C[C@H](CCNC(=O)[C@H]2[NH2+]CCCC2(C)C)C[N@@H+]1Cc1ccccc1 ZINC000423910741 500418486 /nfs/dbraw/zinc/41/84/86/500418486.db2.gz VERFXEGEKXWINU-YZGWKJHDSA-N 2 0 357.542 3.182 20 0 FGADRP C[NH+](C)Cc1cc(CNC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)ccc1F ZINC000431767940 500421842 /nfs/dbraw/zinc/42/18/42/500421842.db2.gz HYLQZYQVBCKFSU-FQEVSTJZSA-N 2 0 361.505 3.301 20 0 FGADRP CC[C@H](C(=O)N[C@@H](CCC[NH3+])c1ccccc1)[N@H+](C)Cc1ccccc1 ZINC000423961092 500425106 /nfs/dbraw/zinc/42/51/06/500425106.db2.gz DLECGYWTCIKQQP-LEWJYISDSA-N 2 0 353.510 3.493 20 0 FGADRP O=C([C@@H]1CCCC[N@@H+]1C1CCCC1)N1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000431845532 500433356 /nfs/dbraw/zinc/43/33/56/500433356.db2.gz OVGRWIWGKYZVMO-WMQCIHAUSA-N 2 0 359.558 3.259 20 0 FGADRP O=C(Nc1cc(Cl)cc(Cl)c1)[C@@H]1CCC[N@@H+]1CC[C@H]1CC[NH2+]C1 ZINC000420297887 500436061 /nfs/dbraw/zinc/43/60/61/500436061.db2.gz DTHKXXYTMPSQRA-WBMJQRKESA-N 2 0 356.297 3.396 20 0 FGADRP COc1ccc([C@H](C[NH3+])C[N@@H+]2CCC[C@H](C(=O)Nc3ccccc3)C2)cc1 ZINC000420302902 500437446 /nfs/dbraw/zinc/43/74/46/500437446.db2.gz JYIICFWVYQBYNW-RBUKOAKNSA-N 2 0 367.493 3.088 20 0 FGADRP CC(C)[N@H+](CC[C@H]1CC[NH2+]C1)C[C@@H](O)COc1cccc2ccccc21 ZINC000420303013 500437463 /nfs/dbraw/zinc/43/74/63/500437463.db2.gz KFRUBGFJNUJXOI-UYAOXDASSA-N 2 0 356.510 3.290 20 0 FGADRP Cc1scc(C(=O)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)c1C ZINC000424020852 500437782 /nfs/dbraw/zinc/43/77/82/500437782.db2.gz QGGJNUGYCIBKJN-UHFFFAOYSA-N 2 0 357.523 3.088 20 0 FGADRP Cc1cc(C(=O)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)sc1C ZINC000424022441 500438477 /nfs/dbraw/zinc/43/84/77/500438477.db2.gz UHCBZEODSYRTPE-UHFFFAOYSA-N 2 0 357.523 3.088 20 0 FGADRP COc1ccc(NC(=O)[C@H](c2ccccc2)N2C[C@@H](C[NH3+])C[C@H]2C)cc1 ZINC000420311476 500439202 /nfs/dbraw/zinc/43/92/02/500439202.db2.gz HCIQXLCTFJYJFO-QINHECLXSA-N 2 0 353.466 3.044 20 0 FGADRP COCc1cccc(OCC2(C[N@@H+]3C[C@@H]4CCC[C@H]([NH3+])[C@@H]4C3)CCC2)c1 ZINC000420314230 500440093 /nfs/dbraw/zinc/44/00/93/500440093.db2.gz VJLJOMZQQMSJFZ-TYPHKJRUSA-N 2 0 358.526 3.441 20 0 FGADRP COc1ccc([C@H](C[NH3+])CN2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)cc1 ZINC000420316689 500440221 /nfs/dbraw/zinc/44/02/21/500440221.db2.gz MDZLZQYCXBWXJX-IRFCIJBXSA-N 2 0 359.558 3.324 20 0 FGADRP COc1ccc([C@@H](C[NH3+])CN2CCC[C@H](C[NH+]3CCC(C)CC3)C2)cc1 ZINC000420322888 500441423 /nfs/dbraw/zinc/44/14/23/500441423.db2.gz TUBNNWNSAATXKD-CTNGQTDRSA-N 2 0 359.558 3.181 20 0 FGADRP Clc1ccc(-c2noc(CC[N@@H+]3CCC[C@H]([C@H]4CC[NH2+]C4)C3)n2)cc1 ZINC000420328844 500442362 /nfs/dbraw/zinc/44/23/62/500442362.db2.gz NCJAZGRHXBJNBF-HOTGVXAUSA-N 2 0 360.889 3.254 20 0 FGADRP C[C@@H](C(=O)Nc1cc(Cl)ccc1Cl)[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420329440 500442403 /nfs/dbraw/zinc/44/24/03/500442403.db2.gz GURGDBIEDCHOBT-RWMBFGLXSA-N 2 0 356.297 3.252 20 0 FGADRP c1cn2c(n1)C[C@@H]([NH2+][C@H]1CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]31)CC2 ZINC000427884787 500442628 /nfs/dbraw/zinc/44/26/28/500442628.db2.gz HEESBUKEVJTIPN-BURNTYAHSA-N 2 0 350.510 3.088 20 0 FGADRP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](CCOc2cc(Cl)ccc2Cl)CC1 ZINC000420327457 500442619 /nfs/dbraw/zinc/44/26/19/500442619.db2.gz LENNFTBNIZHKFK-WBVHZDCISA-N 2 0 359.297 3.200 20 0 FGADRP C[C@@H](c1ccc(OC(F)(F)F)cc1)[N@@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000420337936 500443903 /nfs/dbraw/zinc/44/39/03/500443903.db2.gz XLOPQOAHUQJNPL-DZGCQCFKSA-N 2 0 358.404 3.334 20 0 FGADRP C[C@H](c1cccc(Br)c1)[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000420342993 500444563 /nfs/dbraw/zinc/44/45/63/500444563.db2.gz WKXVRDDGAAAJPE-JLZZUVOBSA-N 2 0 353.304 3.338 20 0 FGADRP C[C@H](c1nc(Cc2ccc(F)cc2)no1)[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420339940 500444832 /nfs/dbraw/zinc/44/48/32/500444832.db2.gz ZKDVAICXSJEXIW-OIISXLGYSA-N 2 0 358.461 3.182 20 0 FGADRP C[C@H](c1ccc(Br)cc1)[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000420340745 500444945 /nfs/dbraw/zinc/44/49/45/500444945.db2.gz UHGFAQJSVHUMLP-JLZZUVOBSA-N 2 0 353.304 3.338 20 0 FGADRP O=C1[C@@H]([NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)CCN1c1ccc(Cl)c(F)c1 ZINC000420342625 500445064 /nfs/dbraw/zinc/44/50/64/500445064.db2.gz XHYDLVPYKVIKGX-ROUUACIJSA-N 2 0 365.880 3.048 20 0 FGADRP CC(C)(C)N(Cc1ccccc1)C(=O)C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000420345365 500445410 /nfs/dbraw/zinc/44/54/10/500445410.db2.gz VYZZWCUXHXDANP-FQEVSTJZSA-N 2 0 357.542 3.278 20 0 FGADRP CC[C@H]1c2ccsc2CCN1C(=O)C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000420344666 500445445 /nfs/dbraw/zinc/44/54/45/500445445.db2.gz UORREGAJLKXWDP-MSOLQXFVSA-N 2 0 361.555 3.048 20 0 FGADRP COc1ccc([C@H](C[NH3+])C[NH2+][C@H]2CCO[C@H]2c2ccc(F)c(F)c2)cc1 ZINC000420414061 500457671 /nfs/dbraw/zinc/45/76/71/500457671.db2.gz UFYTZMNLDXOYLD-XPGWFJOJSA-N 2 0 362.420 3.136 20 0 FGADRP Cc1cc(C[NH3+])cc(NC(=O)[C@H]2CCC[N@H+](Cc3cccc(F)c3)C2)c1 ZINC000424244322 500474528 /nfs/dbraw/zinc/47/45/28/500474528.db2.gz QYNNTCVNGKELIH-SFHVURJKSA-N 2 0 355.457 3.444 20 0 FGADRP C[C@H](NC(=O)C[N@@H+]1CC2(C[C@H]1C)CC[NH2+]CC2)c1cccc2ccccc21 ZINC000424288086 500481950 /nfs/dbraw/zinc/48/19/50/500481950.db2.gz KCTRYLXNUUNCGL-MSOLQXFVSA-N 2 0 365.521 3.481 20 0 FGADRP C[C@H]1CC2(C[N@@H+]1CCOc1cccc(Br)c1)CC[NH2+]CC2 ZINC000424293640 500482482 /nfs/dbraw/zinc/48/24/82/500482482.db2.gz PJQJWLKLSNDKDU-AWEZNQCLSA-N 2 0 353.304 3.292 20 0 FGADRP C[C@H]1CC2(C[N@@H+]1Cc1cc(Cl)c3c(c1)OCCCO3)CC[NH2+]CC2 ZINC000424298992 500483069 /nfs/dbraw/zinc/48/30/69/500483069.db2.gz VFRBTFJCMVHQNJ-AWEZNQCLSA-N 2 0 350.890 3.465 20 0 FGADRP COc1ccc(Br)c(C[N@@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)c1 ZINC000424298161 500483428 /nfs/dbraw/zinc/48/34/28/500483428.db2.gz TZKPNZVGDSOYTR-ZDUSSCGKSA-N 2 0 353.304 3.422 20 0 FGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]Cc2csc(Cl)c2Cl)CC1 ZINC000432245217 500488474 /nfs/dbraw/zinc/48/84/74/500488474.db2.gz HHFDXEHQSPJEHN-LBPRGKRZSA-N 2 0 350.359 3.418 20 0 FGADRP CN(C)CC[NH+]1CCC(C[NH2+]Cc2csc(Cl)c2Cl)CC1 ZINC000432249738 500488945 /nfs/dbraw/zinc/48/89/45/500488945.db2.gz GVOUBOWGXOYPBR-UHFFFAOYSA-N 2 0 350.359 3.418 20 0 FGADRP CCOc1cc(CNCCC[N@@H+]2CCCO[C@H](C)C2)cc(Cl)c1OC ZINC000432347703 500502120 /nfs/dbraw/zinc/50/21/20/500502120.db2.gz OKRWZJREGXKQPG-OAHLLOKOSA-N 2 0 370.921 3.338 20 0 FGADRP COc1cc(Br)ccc1CNCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000432350906 500503145 /nfs/dbraw/zinc/50/31/45/500503145.db2.gz GNAJZGUKORKYHG-AWEZNQCLSA-N 2 0 371.319 3.048 20 0 FGADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC2CCC([NH+](C)C)CC2)C1 ZINC000420798394 500503887 /nfs/dbraw/zinc/50/38/87/500503887.db2.gz XGLNQJICKIAVPQ-WWDZGPRUSA-N 2 0 352.567 3.059 20 0 FGADRP Cc1cc(C[NH3+])cc(NC(=O)N[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)c1 ZINC000424439139 500505923 /nfs/dbraw/zinc/50/59/23/500505923.db2.gz REWNTOFNAUQFBB-OXJNMPFZSA-N 2 0 352.482 3.238 20 0 FGADRP Brc1cccc(C2CC([NH2+]CCCC[NH+]3CCOCC3)C2)c1 ZINC000432411063 500513088 /nfs/dbraw/zinc/51/30/88/500513088.db2.gz VAFWJKZJIHHXJO-UHFFFAOYSA-N 2 0 367.331 3.397 20 0 FGADRP Cc1ccc([C@@H](CNC(=O)NC2CCC([NH+](C)C)CC2)[NH+]2CCCC2)cc1 ZINC000420911541 500528195 /nfs/dbraw/zinc/52/81/95/500528195.db2.gz YFISISQDWIUPDJ-XVAXZDLZSA-N 2 0 372.557 3.304 20 0 FGADRP C[C@@H]([NH2+]Cc1cccc(CN2CCOCC2)c1)[C@H]1COc2ccccc21 ZINC000420922924 500531060 /nfs/dbraw/zinc/53/10/60/500531060.db2.gz OUDWUUCNEGCULF-DYESRHJHSA-N 2 0 352.478 3.173 20 0 FGADRP CC[NH+]1CCC(N2CCC[N@H+](Cc3cccc4c3OC(C)(C)C4)CC2)CC1 ZINC000420986463 500548520 /nfs/dbraw/zinc/54/85/20/500548520.db2.gz YMSNPJICMDNRPR-UHFFFAOYSA-N 2 0 371.569 3.392 20 0 FGADRP O=C(NC[C@@H]1CCC[N@H+](CCC23CC4CC(CC(C4)C2)C3)C1)[C@@H]1CCC[NH2+]1 ZINC000582400593 506202342 /nfs/dbraw/zinc/20/23/42/506202342.db2.gz OHDSWCKYGRSFPL-FXICIYEWSA-N 2 0 373.585 3.173 20 0 FGADRP C[C@H](CC[NH+]1CCC[C@@H](CCO)CC1)CC[N@@H+]1CCC[C@H](CCO)CC1 ZINC000421015974 500554700 /nfs/dbraw/zinc/55/47/00/500554700.db2.gz LXURDWRTLCXYAB-DKUWSORSSA-N 2 0 368.606 3.372 20 0 FGADRP C[N@H+](CCCNC(=O)C1CCC1)[C@@H]1CC[C@@H]2C[NH+](Cc3ccccc3)C[C@H]12 ZINC000432797206 500565360 /nfs/dbraw/zinc/56/53/60/500565360.db2.gz KLZZBVKGGHQWQR-BHIFYINESA-N 2 0 369.553 3.135 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2Cc3ccccc3N(C)C2)[C@H](C)C1 ZINC000437092053 500601404 /nfs/dbraw/zinc/60/14/04/500601404.db2.gz YPHWWENMHOCMFY-DYXWJJEUSA-N 2 0 359.558 3.022 20 0 FGADRP C[C@H]1C[N@H+](CCC[NH2+]Cc2ccc(C(=O)OC(C)(C)C)cc2)CCCO1 ZINC000433021954 500608039 /nfs/dbraw/zinc/60/80/39/500608039.db2.gz SHKZNMSXBIQCLE-KRWDZBQOSA-N 2 0 362.514 3.232 20 0 FGADRP C[NH+]1CCN(Cc2ccc(C[NH2+][C@H]3Cc4[nH]c5ccccc5c4C3)cc2)CC1 ZINC000442720239 500614150 /nfs/dbraw/zinc/61/41/50/500614150.db2.gz SUGGKYGNOZDCMA-HXUWFJFHSA-N 2 0 374.532 3.172 20 0 FGADRP O[C@H](C[NH2+][C@@H]1CC[C@H](c2ccc(C(F)(F)F)cc2)C1)C[NH+]1CCCC1 ZINC000442776160 500624504 /nfs/dbraw/zinc/62/45/04/500624504.db2.gz GVIZCRQIBXVYEU-CGTJXYLNSA-N 2 0 356.432 3.388 20 0 FGADRP CN(CCc1cccc2ccccc21)C(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433129315 500631997 /nfs/dbraw/zinc/63/19/97/500631997.db2.gz NPRPPAMYYDZORM-UHFFFAOYSA-N 2 0 353.510 3.044 20 0 FGADRP Cc1nc(-c2cccnc2)sc1[C@@H](C)[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000442864312 500636370 /nfs/dbraw/zinc/63/63/70/500636370.db2.gz CMFRJUFMZHRXRR-OAHLLOKOSA-N 2 0 373.570 3.190 20 0 FGADRP CSc1ccccc1[C@H](C)[NH2+][C@@H](CC(C)C)C(=O)NCC[NH+](C)C ZINC000442870621 500636866 /nfs/dbraw/zinc/63/68/66/500636866.db2.gz GHVIDIUGXXKXDH-RDJZCZTQSA-N 2 0 351.560 3.152 20 0 FGADRP Cc1nc(-c2cccc(NC(=O)CCC[NH+]3CCC([NH3+])CC3)c2)oc1C ZINC000433163248 500637687 /nfs/dbraw/zinc/63/76/87/500637687.db2.gz WZLLNWZRULAVFA-UHFFFAOYSA-N 2 0 356.470 3.100 20 0 FGADRP O=C(CC[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2)NC1CCCC1 ZINC000433174224 500638899 /nfs/dbraw/zinc/63/88/99/500638899.db2.gz KKYWXRIIRXRLDI-UHFFFAOYSA-N 2 0 369.553 3.423 20 0 FGADRP COc1cc(C[N@@H+]2CCC[C@@H](CC[NH3+])C2)ccc1OCc1ccncc1 ZINC000442928525 500648448 /nfs/dbraw/zinc/64/84/48/500648448.db2.gz PPDAQOLJTQKBAA-KRWDZBQOSA-N 2 0 355.482 3.230 20 0 FGADRP C[NH+]1CCC(CCNC(=O)[C@@]23CCC[C@@H]2C[N@H+](Cc2ccccc2)C3)CC1 ZINC000442945899 500651502 /nfs/dbraw/zinc/65/15/02/500651502.db2.gz PJISTLPVOMSQBS-FYYLOGMGSA-N 2 0 369.553 3.137 20 0 FGADRP C[NH+](C)CCCN(C(=O)C[NH+](C)C)C(c1ccccc1)c1ccccc1 ZINC000442963469 500653839 /nfs/dbraw/zinc/65/38/39/500653839.db2.gz GDHAODCFFWDQSB-UHFFFAOYSA-N 2 0 353.510 3.118 20 0 FGADRP [NH3+]CC[C@@H]1CCC[N@H+](CCC(=O)N[C@@H](c2cccs2)c2ccccc2)C1 ZINC000443057759 500670414 /nfs/dbraw/zinc/67/04/14/500670414.db2.gz LDENMZYTPDFOAW-LAUBAEHRSA-N 2 0 371.550 3.405 20 0 FGADRP COc1cccc(-c2nc(C[N@@H+]3CCC[C@@H](CC[NH3+])C3)cs2)c1OC ZINC000443056181 500670618 /nfs/dbraw/zinc/67/06/18/500670618.db2.gz CEDYIKHCXZEVAS-AWEZNQCLSA-N 2 0 361.511 3.388 20 0 FGADRP COc1ccc([C@@H]2CCCCCN2C(=O)C[N@@H+]2CCC[C@@H](CC[NH3+])C2)cc1 ZINC000443058653 500670724 /nfs/dbraw/zinc/67/07/24/500670724.db2.gz KWOQZIGIDVLUKD-RXVVDRJESA-N 2 0 373.541 3.200 20 0 FGADRP Cc1ccc([C@H](NC(=O)C[N@@H+]2CCC[C@H](CC[NH3+])C2)c2cccs2)cc1 ZINC000443055349 500670909 /nfs/dbraw/zinc/67/09/09/500670909.db2.gz BGLVOXFOMPGWBC-UTKZUKDTSA-N 2 0 371.550 3.323 20 0 FGADRP [NH3+]CC[C@@H]1CCC[N@H+](CC(=O)N[C@@H](Cc2ccccc2)c2ccccc2)C1 ZINC000443064952 500672393 /nfs/dbraw/zinc/67/23/93/500672393.db2.gz ZCJTZXWZRQBSIT-UNMCSNQZSA-N 2 0 365.521 3.147 20 0 FGADRP COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000570682996 506213582 /nfs/dbraw/zinc/21/35/82/506213582.db2.gz WSMQTYFUMIGIDI-ZDUSSCGKSA-N 2 0 361.873 3.314 20 0 FGADRP CC[NH+](CC)CCOc1ccc(NC(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000438051474 500731549 /nfs/dbraw/zinc/73/15/49/500731549.db2.gz QWQWSTPOKCDBSC-SJLPKXTDSA-N 2 0 362.518 3.011 20 0 FGADRP Cc1ccccc1OC[C@@H](O)C[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000443588243 500742712 /nfs/dbraw/zinc/74/27/12/500742712.db2.gz HYEVAUFDUXYLAY-NRFANRHFSA-N 2 0 360.542 3.323 20 0 FGADRP C[C@H](CC(=O)NCC[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1)C1CC[NH2+]CC1 ZINC000570716196 506215106 /nfs/dbraw/zinc/21/51/06/506215106.db2.gz BYMBNKVNYRBKNF-SVFBPWRDSA-N 2 0 371.569 3.429 20 0 FGADRP CCC[NH+]1CCN(c2ccccc2CN(C)CC2([NH+](C)C)CCC2)CC1 ZINC000438483449 500790930 /nfs/dbraw/zinc/79/09/30/500790930.db2.gz DHFQRGITAGJHQD-UHFFFAOYSA-N 2 0 358.574 3.135 20 0 FGADRP CN(CC[N@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1)c1ccccc1 ZINC000444264741 500826271 /nfs/dbraw/zinc/82/62/71/500826271.db2.gz DQLPHMRILVDFIW-UHFFFAOYSA-N 2 0 372.601 3.251 20 0 FGADRP C[C@H](C(=O)N(C)[C@H]1CC[N@H+](C)C[C@H]1C)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000607660294 506219249 /nfs/dbraw/zinc/21/92/49/506219249.db2.gz DVQKBLGEIRCFQL-KNKQGSTJSA-N 2 0 371.569 3.128 20 0 FGADRP COc1cccc2c(C[N@@H+]3CC[C@H](N4CC[NH+](C)CC4)[C@H](C)C3)cccc12 ZINC000449036096 500907549 /nfs/dbraw/zinc/90/75/49/500907549.db2.gz ITDSQXBZDHQPNQ-GCJKJVERSA-N 2 0 367.537 3.306 20 0 FGADRP CC(C)C[N@@H+]1CCO[C@@H](CNC2CC[NH+]([C@@H](C)Cc3ccccc3)CC2)C1 ZINC000449058826 500913554 /nfs/dbraw/zinc/91/35/54/500913554.db2.gz MHFGMWSDTDRNMP-REWPJTCUSA-N 2 0 373.585 3.028 20 0 FGADRP Fc1cccc(F)c1-c1ncc(C[NH2+]CCCC[NH+]2CCOCC2)s1 ZINC000449084210 500921155 /nfs/dbraw/zinc/92/11/55/500921155.db2.gz WXHLCRCPQGHKSN-UHFFFAOYSA-N 2 0 367.465 3.290 20 0 FGADRP c1cnc(N2CC[NH+](CCCC[NH2+][C@H]3CCCC34CCCCC4)CC2)nc1 ZINC000449126109 500930859 /nfs/dbraw/zinc/93/08/59/500930859.db2.gz UNDCRZHTEAUNRR-FQEVSTJZSA-N 2 0 371.573 3.471 20 0 FGADRP C[C@H](COc1ccc(Cl)c(Cl)c1)[NH2+]C[C@H](C)CN1CC[NH+](C)CC1 ZINC000449129764 500931224 /nfs/dbraw/zinc/93/12/24/500931224.db2.gz DENNCSLZTPWYLD-LSDHHAIUSA-N 2 0 374.356 3.234 20 0 FGADRP CC[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1)C1CCCC1 ZINC000449145484 500934671 /nfs/dbraw/zinc/93/46/71/500934671.db2.gz LKQHEMSJLBPTMY-RTWAWAEBSA-N 2 0 357.542 3.442 20 0 FGADRP COCC[N@H+](C)CCCC1CC[NH+](Cc2ccc(-c3cc[nH]n3)o2)CC1 ZINC000435125879 500936297 /nfs/dbraw/zinc/93/62/97/500936297.db2.gz HJFCTQITBYHZPA-UHFFFAOYSA-N 2 0 360.502 3.240 20 0 FGADRP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@@H]2CCOC3(CCOCC3)C2)CC1 ZINC000449197155 500945753 /nfs/dbraw/zinc/94/57/53/500945753.db2.gz UTTMPHVEDLLRAV-DENIHFKCSA-N 2 0 372.553 3.400 20 0 FGADRP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@H]2CCO[C@]3(CCOC3)C2)CC1 ZINC000449201451 500947079 /nfs/dbraw/zinc/94/70/79/500947079.db2.gz HBBBIKMPQHLDAH-BVYCBKJFSA-N 2 0 358.526 3.010 20 0 FGADRP C[C@@H](C[NH2+]CC[C@@H](C)[NH+]1CCCCC1)c1ccc(S(C)(=O)=O)cc1 ZINC000449239140 500955528 /nfs/dbraw/zinc/95/55/28/500955528.db2.gz IEPAQJXQEBKCDU-DLBZAZTESA-N 2 0 352.544 3.048 20 0 FGADRP COc1cccc2c(C[NH2+]C(C)(C)CCN3CC[NH+](C)CC3)cccc12 ZINC000449247842 500956801 /nfs/dbraw/zinc/95/68/01/500956801.db2.gz HBGYVZIRBHUREK-UHFFFAOYSA-N 2 0 355.526 3.354 20 0 FGADRP COc1cccc(-c2nn(C(C)(C)C)cc2C[N@@H+]2CC[C@@H]([C@H](C)[NH3+])C2)c1 ZINC000435375286 500962126 /nfs/dbraw/zinc/96/21/26/500962126.db2.gz LMKWSTPALKHAEV-DOTOQJQBSA-N 2 0 356.514 3.483 20 0 FGADRP COc1ccc(C(=O)Nc2cccc(C[N@@H+]3C[C@@H]4CC[C@H]([NH3+])[C@@H]4C3)c2)cc1 ZINC000435379802 500963541 /nfs/dbraw/zinc/96/35/41/500963541.db2.gz NNTYZXGIDJXNMW-WMQCIHAUSA-N 2 0 365.477 3.117 20 0 FGADRP COc1ccc(Cn2nc(C)c(C[N@@H+]3C[C@@H]4CCC[C@H]([NH3+])[C@@H]4C3)c2C)cc1 ZINC000435385433 500965090 /nfs/dbraw/zinc/96/50/90/500965090.db2.gz QBZKQTJJEGJGDR-BWAGFHJFSA-N 2 0 368.525 3.116 20 0 FGADRP C[C@@H]([NH3+])[C@H]1CCC[N@H+](Cc2cn(-c3ccccc3)nc2-c2cccnc2)C1 ZINC000435386078 500965275 /nfs/dbraw/zinc/96/52/75/500965275.db2.gz SKRWSBRUNXPBAJ-MJGOQNOKSA-N 2 0 361.493 3.494 20 0 FGADRP C[C@@H](Cc1ccccc1)[NH+]1CCC(NCCC[N@@H+]2CCCO[C@@H](C)C2)CC1 ZINC000449283369 500965797 /nfs/dbraw/zinc/96/57/97/500965797.db2.gz LMOLOPMQHQPPQT-SFTDATJTSA-N 2 0 373.585 3.173 20 0 FGADRP Cc1nn(Cc2ccccc2Cl)c(C)c1C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000435387030 500965858 /nfs/dbraw/zinc/96/58/58/500965858.db2.gz WKCDPZPPVMIYGQ-QSFXBCCZSA-N 2 0 358.917 3.371 20 0 FGADRP C[NH2+]CC1CC[NH+](Cc2cn(-c3ccccc3)nc2-c2ccncc2)CC1 ZINC000435393793 500967721 /nfs/dbraw/zinc/96/77/21/500967721.db2.gz IOZVAVHNSBUIJM-UHFFFAOYSA-N 2 0 361.493 3.366 20 0 FGADRP COc1cc(C[NH+]2CCC(C[NH+]3CCN(C)CC3)CC2)cc2ccccc21 ZINC000449326385 500978897 /nfs/dbraw/zinc/97/88/97/500978897.db2.gz VGDSOIZNAPOICX-UHFFFAOYSA-N 2 0 367.537 3.308 20 0 FGADRP CCC[NH+]1CCN(c2ccccc2C[N@@H+]2CCC[C@@]3(CCOC3)C2)CC1 ZINC000449681990 501061631 /nfs/dbraw/zinc/06/16/31/501061631.db2.gz FOFMGLURMKCNJK-JOCHJYFZSA-N 2 0 357.542 3.221 20 0 FGADRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2cc(C(F)(F)F)ccc2F)CC1 ZINC000449743744 501072789 /nfs/dbraw/zinc/07/27/89/501072789.db2.gz AVEAZOKQGYYUQW-UHFFFAOYSA-N 2 0 361.427 3.350 20 0 FGADRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2cnc(-c3ccc(C)o3)s2)CC1 ZINC000449746879 501073675 /nfs/dbraw/zinc/07/36/75/501073675.db2.gz UMBRAXKFJQCZKL-UHFFFAOYSA-N 2 0 362.543 3.217 20 0 FGADRP CN(c1ccccc1C[N@@H+]1CC(C)(C)[C@@H]2COC[C@@H]21)C1CC[NH+](C)CC1 ZINC000449781600 501084855 /nfs/dbraw/zinc/08/48/55/501084855.db2.gz ISQDUEZXODJSPD-CTNGQTDRSA-N 2 0 357.542 3.074 20 0 FGADRP C[NH+]1CCN(Cc2ccc(C[NH2+]Cc3cc4c(cccc4F)[nH]3)cc2)CC1 ZINC000436273214 501099323 /nfs/dbraw/zinc/09/93/23/501099323.db2.gz ISUIHZPSIGNFTI-UHFFFAOYSA-N 2 0 366.484 3.344 20 0 FGADRP Cc1cc(C[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)ccc1Oc1cccnc1 ZINC000441329741 501121363 /nfs/dbraw/zinc/12/13/63/501121363.db2.gz DFCFEHKBIYGVQW-UHFFFAOYSA-N 2 0 368.525 3.298 20 0 FGADRP CCc1ccc2[nH+]ccc(N3CCC([NH+](CCOC)CCOC)CC3)c2c1 ZINC000450527592 501145428 /nfs/dbraw/zinc/14/54/28/501145428.db2.gz ZYQRQNTZRZECSX-UHFFFAOYSA-N 2 0 371.525 3.361 20 0 FGADRP C[C@H](c1ccccc1)[C@@H](O)C[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000450640438 501173282 /nfs/dbraw/zinc/17/32/82/501173282.db2.gz MDPJSPKMELDCSK-GCJKJVERSA-N 2 0 353.510 3.394 20 0 FGADRP CC(C)N1CCCC[C@@H]1C[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000450715823 501192747 /nfs/dbraw/zinc/19/27/47/501192747.db2.gz XQDPNFHCDUHACA-OAQYLSRUSA-N 2 0 351.579 3.074 20 0 FGADRP CCn1ccnc1[C@@H](C)[NH2+]CCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000453062462 501261155 /nfs/dbraw/zinc/26/11/55/501261155.db2.gz MPSNRNGHTAZDGJ-HXUWFJFHSA-N 2 0 369.557 3.152 20 0 FGADRP CC[NH+]1CCN(CCCC[NH2+][C@H](C)c2ncc(-c3ccccc3)n2C)CC1 ZINC000453064638 501261594 /nfs/dbraw/zinc/26/15/94/501261594.db2.gz UDYCIVDWZLNCQB-LJQANCHMSA-N 2 0 369.557 3.155 20 0 FGADRP O=C1CCCN1CCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000453098666 501268309 /nfs/dbraw/zinc/26/83/09/501268309.db2.gz VOAPIFZKWREIID-PWRODBHTSA-N 2 0 355.526 3.032 20 0 FGADRP NC(=O)[C@H]1CCC[N@H+](Cc2cccc(C[NH2+][C@@H](C3CC3)C3CCCC3)c2)C1 ZINC000453110746 501270789 /nfs/dbraw/zinc/27/07/89/501270789.db2.gz OIMCPZDARSPLHT-FCHUYYIVSA-N 2 0 369.553 3.442 20 0 FGADRP CN(C)c1nccc(CN[C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)n1 ZINC000453167456 501282993 /nfs/dbraw/zinc/28/29/93/501282993.db2.gz RPUXVDFAFJUAEI-NJYVYQBISA-N 2 0 365.525 3.075 20 0 FGADRP CCN(C)C(=O)[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C(C)C ZINC000453274773 501305549 /nfs/dbraw/zinc/30/55/49/501305549.db2.gz DHBGFEFGEANFGI-BURNTYAHSA-N 2 0 357.542 3.275 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCO[C@H](c3ccncc3)C2)[C@H](C)C1 ZINC000453361090 501320525 /nfs/dbraw/zinc/32/05/25/501320525.db2.gz QGTGXOKUTMKJAM-PBASOCQRSA-N 2 0 361.530 3.028 20 0 FGADRP C[N@H+](CCCC[NH2+]Cc1cn2ccc(Br)cc2n1)C1CC1 ZINC000453596426 501357297 /nfs/dbraw/zinc/35/72/97/501357297.db2.gz LEGZDKPQNDETAE-UHFFFAOYSA-N 2 0 351.292 3.061 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(C2CCC2)cn1 ZINC000455681550 501363850 /nfs/dbraw/zinc/36/38/50/501363850.db2.gz PTXIALATWCUZBQ-LJQANCHMSA-N 2 0 373.545 3.229 20 0 FGADRP CC1(C)C[C@H](O)CC[NH+](CCCCC[N@H+]2CC[C@@H](O)CC(C)(C)C2)C1 ZINC000451816920 501378506 /nfs/dbraw/zinc/37/85/06/501378506.db2.gz YNYIRGGGUUWKMF-RTBURBONSA-N 2 0 354.579 3.123 20 0 FGADRP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000455847107 501399340 /nfs/dbraw/zinc/39/93/40/501399340.db2.gz IRNHKVASYMZXEM-MOXGXCLJSA-N 2 0 356.514 3.326 20 0 FGADRP C[NH+](C)[C@H]1CCc2cc(NC(=O)N3CC[C@@]4(C3)CCC[N@H+](C)C4)ccc21 ZINC000455864515 501402404 /nfs/dbraw/zinc/40/24/04/501402404.db2.gz SYYXJAJUFQVAGU-FPOVZHCZSA-N 2 0 356.514 3.185 20 0 FGADRP C[NH+](C)[C@@H]1CCc2cc(NC(=O)NC3CC[NH+](CC4CC4)CC3)ccc21 ZINC000455899094 501410309 /nfs/dbraw/zinc/41/03/09/501410309.db2.gz FOJLQTSTSKQOEV-HXUWFJFHSA-N 2 0 356.514 3.231 20 0 FGADRP C[NH+](C)CC(C)(C)NC(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000458381707 501432307 /nfs/dbraw/zinc/43/23/07/501432307.db2.gz IQHATTSPHAMFEV-UHFFFAOYSA-N 2 0 360.546 3.202 20 0 FGADRP CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000458934977 501561846 /nfs/dbraw/zinc/56/18/46/501561846.db2.gz LATATGUWUKTLQP-PMACEKPBSA-N 2 0 364.578 3.157 20 0 FGADRP CC(C)(C)O[C@@H]1C[C@@H]([NH2+]C2CCN(c3cc[nH+]cc3)CC2)[C@H]1n1cccn1 ZINC000459570855 501678622 /nfs/dbraw/zinc/67/86/22/501678622.db2.gz MWULFAQRDAKDMZ-VAMGGRTRSA-N 2 0 369.513 3.034 20 0 FGADRP COc1cc(C[NH2+]CC[C@H]2CCC[N@H+](C)C2)ccc1OCc1ccncc1 ZINC000459723807 501704402 /nfs/dbraw/zinc/70/44/02/501704402.db2.gz CXDUUZBHPUVHAE-GOSISDBHSA-N 2 0 369.509 3.491 20 0 FGADRP Cc1cc(Br)cn2c(C[NH2+]CC[C@H]3CCC[N@@H+](C)C3)cnc12 ZINC000459775991 501712478 /nfs/dbraw/zinc/71/24/78/501712478.db2.gz JTIRNBWZJVXCGW-CQSZACIVSA-N 2 0 365.319 3.227 20 0 FGADRP CCOc1cc(C[NH2+]CC[C@@H]2CCC[N@H+](C)C2)cc(Br)c1O ZINC000459791712 501714781 /nfs/dbraw/zinc/71/47/81/501714781.db2.gz RPMCUKNIRBYAAA-ZDUSSCGKSA-N 2 0 371.319 3.375 20 0 FGADRP C[NH+](C)CCN(Cc1ccsc1)C(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000457538646 501718599 /nfs/dbraw/zinc/71/85/99/501718599.db2.gz UDEDRQGOVJPZPR-UHFFFAOYSA-N 2 0 374.554 3.083 20 0 FGADRP C[C@H]1CCCC[N@@H+]1CCCNC(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000611718123 506271436 /nfs/dbraw/zinc/27/14/36/506271436.db2.gz XEFVOUHGPFWGMK-SFHVURJKSA-N 2 0 352.567 3.205 20 0 FGADRP CC(C)[C@H](C[NH2+][C@H](C)Cc1cccc(C(F)(F)F)c1)N1CC[NH+](C)CC1 ZINC000467308440 501767407 /nfs/dbraw/zinc/76/74/07/501767407.db2.gz PEQRRJRYDCKDFR-APWZRJJASA-N 2 0 371.491 3.498 20 0 FGADRP CCC[N@@H+]1CCC[C@H]1CNC(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000485262702 501772881 /nfs/dbraw/zinc/77/28/81/501772881.db2.gz UQIHBUSSOGDTGP-NRFANRHFSA-N 2 0 372.557 3.072 20 0 FGADRP C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000467368702 501779141 /nfs/dbraw/zinc/77/91/41/501779141.db2.gz IKENFDVQTIEHDN-CRAIPNDOSA-N 2 0 358.448 3.319 20 0 FGADRP Cc1cc(C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)ccc1I ZINC000467388544 501784090 /nfs/dbraw/zinc/78/40/90/501784090.db2.gz LWVXYWJAVGJSNH-TZMCWYRMSA-N 2 0 358.267 3.172 20 0 FGADRP C[C@H](CCNC(=O)c1ccc2c(c1)CC[NH2+]CC2)[N@H+](C)Cc1ccccc1 ZINC000474309977 501785723 /nfs/dbraw/zinc/78/57/23/501785723.db2.gz ONNQOIIJHHVJEU-GOSISDBHSA-N 2 0 365.521 3.015 20 0 FGADRP CC(C)C[NH+]1CCC(NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)CC1 ZINC000477903547 501824402 /nfs/dbraw/zinc/82/44/02/501824402.db2.gz CWTNMKFHTOGSMJ-RXVVDRJESA-N 2 0 372.557 3.069 20 0 FGADRP CCCN(CC[NH+]1CCCCCC1)C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000460465541 501829783 /nfs/dbraw/zinc/82/97/83/501829783.db2.gz FWAKRPAAQGMAQE-OALUTQOASA-N 2 0 352.567 3.157 20 0 FGADRP CCc1cccc(F)c1C[NH2+]Cc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000474473240 501848800 /nfs/dbraw/zinc/84/88/00/501848800.db2.gz QHQHHKWIOXOHMY-UHFFFAOYSA-N 2 0 355.501 3.425 20 0 FGADRP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)c1nc(C(F)(F)F)cs1 ZINC000467743218 501858332 /nfs/dbraw/zinc/85/83/32/501858332.db2.gz JDWSYIJTIQSPSK-RYUDHWBXSA-N 2 0 351.438 3.049 20 0 FGADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@@H]1C[C@]12CCCc1ccccc12 ZINC000478082214 501876251 /nfs/dbraw/zinc/87/62/51/501876251.db2.gz FXYZEVGKLSHRBY-GMAHTHKFSA-N 2 0 371.569 3.013 20 0 FGADRP C[N@H+](CC1CC1)C[C@H]1CC[NH+](CCC(=O)N[C@H]2CCCc3ccccc32)C1 ZINC000470980383 501881425 /nfs/dbraw/zinc/88/14/25/501881425.db2.gz XYUTXHSTCPKDMJ-KNQAVFIVSA-N 2 0 369.553 3.234 20 0 FGADRP CCCC[N@H+](C)C[C@@H](C)NC(=O)N[C@H](C)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000460659754 501887969 /nfs/dbraw/zinc/88/79/69/501887969.db2.gz XQDUFRQYZIHUKV-KZNAEPCWSA-N 2 0 352.567 3.059 20 0 FGADRP CC(C)[C@H](C[NH2+][C@@H](C)Cc1ccccc1C(F)(F)F)N1CC[NH+](C)CC1 ZINC000481920334 501918800 /nfs/dbraw/zinc/91/88/00/501918800.db2.gz UXTWXNHKXOZYOD-LPHOPBHVSA-N 2 0 371.491 3.498 20 0 FGADRP COc1ccccc1[C@H](CNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C)[NH+]1CCCCC1 ZINC000468014049 501929177 /nfs/dbraw/zinc/92/91/77/501929177.db2.gz NIJTXJJOMZCMOR-NSHGMRRFSA-N 2 0 373.541 3.211 20 0 FGADRP C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1)[C@H](C)c1nc2ccccc2s1 ZINC000474730580 501936080 /nfs/dbraw/zinc/93/60/80/501936080.db2.gz SCHRBPALCOFRMP-GVDBMIGSSA-N 2 0 361.555 3.471 20 0 FGADRP C[N@H+](CCNC(=O)[C@@H]1CCC[NH+]1Cc1ccccc1)Cc1ccc(F)cc1 ZINC000482007430 501945148 /nfs/dbraw/zinc/94/51/48/501945148.db2.gz PHZNYNFTCOXFCG-NRFANRHFSA-N 2 0 369.484 3.038 20 0 FGADRP Cc1ccc(CCC[NH2+]CC2CCN(C(=O)c3ccccc3)CC2)cn1 ZINC000474793578 501954782 /nfs/dbraw/zinc/95/47/82/501954782.db2.gz FDGZNTPUMVCPKR-UHFFFAOYSA-N 2 0 351.494 3.465 20 0 FGADRP CCc1cccc(F)c1C[NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000474804983 501959465 /nfs/dbraw/zinc/95/94/65/501959465.db2.gz BFSXODJWTQNYPX-UHFFFAOYSA-N 2 0 363.521 3.104 20 0 FGADRP C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)[C@H](C[NH+]2CCCC2)c2ccccc2)C1 ZINC000611756661 506286649 /nfs/dbraw/zinc/28/66/49/506286649.db2.gz BFGYTZVPTFWKCQ-IFMALSPDSA-N 2 0 369.553 3.056 20 0 FGADRP CCN(C(=O)NCCC[NH+]1CCCC1)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000471372734 502002467 /nfs/dbraw/zinc/00/24/67/502002467.db2.gz HZUZPHOJQQLEFF-TZIWHRDSSA-N 2 0 372.557 3.339 20 0 FGADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)N[C@@H]1CCCCC12CCCC2 ZINC000464538777 502021118 /nfs/dbraw/zinc/02/11/18/502021118.db2.gz RJMDUMXMSVNPRU-LJQANCHMSA-N 2 0 366.594 3.404 20 0 FGADRP C[NH+](C)CCN(C(=O)NCCC[N@H+](C)C1CCCCC1)C1CCCC1 ZINC000468321132 502023547 /nfs/dbraw/zinc/02/35/47/502023547.db2.gz RBOOLCKWXJEUJQ-UHFFFAOYSA-N 2 0 352.567 3.157 20 0 FGADRP Cc1cccc([C@@H]2CC[N@@H+](CC(=O)NC[C@H](c3ccccc3)[NH+](C)C)C2)c1 ZINC000475141659 502077528 /nfs/dbraw/zinc/07/75/28/502077528.db2.gz VRHOBGDYRAEYKL-FGZHOGPDSA-N 2 0 365.521 3.203 20 0 FGADRP Cc1cccc(NC[C@H]2CC[N@@H+]([C@H]3CCCN(CC(C)(C)C)C3=O)C2)[nH+]1 ZINC000461394892 502092181 /nfs/dbraw/zinc/09/21/81/502092181.db2.gz QMWWXYOCOMRTDM-MSOLQXFVSA-N 2 0 358.530 3.161 20 0 FGADRP CCCN(CCC[NH+](C)C)C(=O)N[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000468532959 502094549 /nfs/dbraw/zinc/09/45/49/502094549.db2.gz RPYRYDVBDOAUOQ-AZUAARDMSA-N 2 0 360.546 3.195 20 0 FGADRP Cc1cc(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)ccc1-n1cncn1 ZINC000475344318 502143111 /nfs/dbraw/zinc/14/31/11/502143111.db2.gz VXSLWWBYHBVKPQ-SZPZYZBQSA-N 2 0 373.504 3.140 20 0 FGADRP C[C@H](C[NH+]1CCCCCC1)NC(=O)NCCCC[NH+]1CCC(C)CC1 ZINC000482745131 502168755 /nfs/dbraw/zinc/16/87/55/502168755.db2.gz MSAPGUOAQGIHJW-LJQANCHMSA-N 2 0 352.567 3.062 20 0 FGADRP CCCN(CCC[NH+](C)C)C(=O)N[C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000468749595 502169961 /nfs/dbraw/zinc/16/99/61/502169961.db2.gz NNUKJOXJVPCLQM-TZIWHRDSSA-N 2 0 374.573 3.270 20 0 FGADRP CCC(CC)[C@H](CNC(=O)NC[C@@H]1CC[N@H+](CC(C)C)C1)[NH+]1CCCC1 ZINC000465216814 502216983 /nfs/dbraw/zinc/21/69/83/502216983.db2.gz VYSAPOWRKDGDGM-ICSRJNTNSA-N 2 0 366.594 3.164 20 0 FGADRP Cc1ccc2[nH]c(C[NH2+]Cc3cccnc3N3CC[NH+](C)CC3)cc2c1C ZINC000472078224 502221992 /nfs/dbraw/zinc/22/19/92/502221992.db2.gz MSAIXOWPSOPMOT-UHFFFAOYSA-N 2 0 363.509 3.221 20 0 FGADRP C[NH+]1CCN(Cc2ccc(C[NH2+]Cc3cc4ccc(F)cc4[nH]3)cc2)CC1 ZINC000486677306 502227924 /nfs/dbraw/zinc/22/79/24/502227924.db2.gz PDZFMNZOIQMARN-UHFFFAOYSA-N 2 0 366.484 3.344 20 0 FGADRP CCCC[N@H+](C)C[C@@H](C)NC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000462004462 502270543 /nfs/dbraw/zinc/27/05/43/502270543.db2.gz CZXAVGGQRVWCGM-WOJBJXKFSA-N 2 0 366.594 3.404 20 0 FGADRP C[N@H+](CC1CC1)C[C@H]1CCN([C@H]2CCN(c3ccc(Cl)cc3)C2=O)C1 ZINC000472230592 502278320 /nfs/dbraw/zinc/27/83/20/502278320.db2.gz GQSBFJVLEIDADJ-APWZRJJASA-N 2 0 361.917 3.109 20 0 FGADRP CCC[NH+]1CCC(NC(=O)NC[C@@H](C(C)C)[NH+]2CCCCCC2)CC1 ZINC000465567521 502310850 /nfs/dbraw/zinc/31/08/50/502310850.db2.gz LACJFPWPYSQRDM-IBGZPJMESA-N 2 0 352.567 3.061 20 0 FGADRP C[N@H+](CC1CC1)C[C@@H]1CCN(Cc2ccc(OCC(F)(F)F)nc2)C1 ZINC000483221821 502317691 /nfs/dbraw/zinc/31/76/91/502317691.db2.gz RXOWFFSVLKTWHZ-INIZCTEOSA-N 2 0 357.420 3.186 20 0 FGADRP CN(C)c1ncc(C[N@@H+]2CCCC[C@@H]2[C@@H](C[NH3+])Cc2ccccc2)s1 ZINC000472351540 502326816 /nfs/dbraw/zinc/32/68/16/502326816.db2.gz SWRCIVZITVWYOX-IEBWSBKVSA-N 2 0 358.555 3.381 20 0 FGADRP C[C@@H](CC[NH+](C)C)NC(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000475902878 502327219 /nfs/dbraw/zinc/32/72/19/502327219.db2.gz XFPUBIOKFHDENK-UGKGYDQZSA-N 2 0 372.557 3.024 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](c1ccccc1)C(C)C ZINC000465620080 502328424 /nfs/dbraw/zinc/32/84/24/502328424.db2.gz UNBZDUHOTRFQHG-NHCUHLMSSA-N 2 0 374.573 3.441 20 0 FGADRP C[C@H](NC(=O)NCC[N@H+](C)C1CCCC1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000487037742 502337329 /nfs/dbraw/zinc/33/73/29/502337329.db2.gz ROLCXHWICBQVMV-ICSRJNTNSA-N 2 0 372.557 3.071 20 0 FGADRP Cc1ccc(NC(=O)NC[C@H]2CCC[N@H+](CCC3CC[NH2+]CC3)C2)cc1 ZINC000479698184 502348887 /nfs/dbraw/zinc/34/88/87/502348887.db2.gz CFAVDGLOQHMYPU-LJQANCHMSA-N 2 0 358.530 3.218 20 0 FGADRP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000469255217 502352252 /nfs/dbraw/zinc/35/22/52/502352252.db2.gz FEPDSQLBKNMWPO-CALCHBBNSA-N 2 0 352.482 3.240 20 0 FGADRP CC[NH+](CC)[C@H](C)CNC(=O)N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000472453707 502355499 /nfs/dbraw/zinc/35/54/99/502355499.db2.gz MUXGJZVJPQBOPY-RBUKOAKNSA-N 2 0 366.594 3.403 20 0 FGADRP CC[NH+](CC)[C@H](C)CNC(=O)N1CCC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000472467255 502361334 /nfs/dbraw/zinc/36/13/34/502361334.db2.gz YDCFWTOJQUJJLK-MOPGFXCFSA-N 2 0 360.546 3.023 20 0 FGADRP C[C@H](C[NH+]1CCCCCC1)NC(=O)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000479807106 502383729 /nfs/dbraw/zinc/38/37/29/502383729.db2.gz UMERNTQNFMQCGM-QGZVFWFLSA-N 2 0 352.482 3.241 20 0 FGADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@H](CO)Cc1ccccc1OC(F)(F)F ZINC000483451384 502396906 /nfs/dbraw/zinc/39/69/06/502396906.db2.gz CPDMWYAHERJMJB-ANQUJSFKSA-N 2 0 374.447 3.055 20 0 FGADRP CC[N@H+](CCNC(=O)NC[C@H]1CCC[NH+](C)[C@@H]1c1cccs1)C(C)C ZINC000465837346 502399390 /nfs/dbraw/zinc/39/93/90/502399390.db2.gz OHPWWIQYAHWODI-AEFFLSMTSA-N 2 0 366.575 3.161 20 0 FGADRP C[C@@H](NCc1c(Br)cnn1C)c1cccc(-n2ccnc2)c1 ZINC000487288223 502409380 /nfs/dbraw/zinc/40/93/80/502409380.db2.gz MAGJDTIVBHCADR-GFCCVEGCSA-N 2 0 360.259 3.219 20 0 FGADRP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N[C@@H](C)C1=CC[NH+](C)CC1 ZINC000469433665 502415622 /nfs/dbraw/zinc/41/56/22/502415622.db2.gz HAFBNRAVDWZWBP-RXVVDRJESA-N 2 0 372.557 3.093 20 0 FGADRP CCC(C)(C)NC(=O)CN1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000483511976 502416091 /nfs/dbraw/zinc/41/60/91/502416091.db2.gz KOCFQNOAXIPPGU-UXHICEINSA-N 2 0 357.542 3.278 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NC[C@H](C)c1ccc(C)cc1 ZINC000465950161 502438023 /nfs/dbraw/zinc/43/80/23/502438023.db2.gz MBCBGCFRYRHKOY-PZJWPPBQSA-N 2 0 374.573 3.156 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NC[C@H](C)c1cccc(C)c1 ZINC000465953365 502439367 /nfs/dbraw/zinc/43/93/67/502439367.db2.gz ADUGBGYKXUIIEX-PZJWPPBQSA-N 2 0 374.573 3.156 20 0 FGADRP C[C@@H]1C[C@H](NC(=O)N(C)[C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)CC[N@@H+]1C ZINC000466030877 502459083 /nfs/dbraw/zinc/45/90/83/502459083.db2.gz DESPVTYPXONRSX-JYRKZWEQSA-N 2 0 372.557 3.164 20 0 FGADRP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000466041097 502464347 /nfs/dbraw/zinc/46/43/47/502464347.db2.gz WCLCCOBXBDDQDV-CEWLAPEOSA-N 2 0 372.557 3.023 20 0 FGADRP CCC[C@@H]([NH2+]C(C)C)C(=O)N1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC000483698691 502467476 /nfs/dbraw/zinc/46/74/76/502467476.db2.gz PAABYPPERWTEFO-OAQYLSRUSA-N 2 0 357.542 3.202 20 0 FGADRP CCC[NH+]1CCC(NC(=O)N2CC[N@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC000466096068 502477045 /nfs/dbraw/zinc/47/70/45/502477045.db2.gz QOPGMXDRJKJSDV-UHFFFAOYSA-N 2 0 372.557 3.167 20 0 FGADRP C[C@H]1C[NH+](CC2CC[NH+](CCCOc3ccc(F)cc3)CC2)C[C@H](C)O1 ZINC000588710600 506316564 /nfs/dbraw/zinc/31/65/64/506316564.db2.gz STZWHKQLTMIXBZ-ROUUACIJSA-N 2 0 364.505 3.416 20 0 FGADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)NCC[C@@H](C)[NH+](C)Cc2ccccc2)C1 ZINC000473018818 502500902 /nfs/dbraw/zinc/50/09/02/502500902.db2.gz DPCJSDQRYOFLIB-TZIWHRDSSA-N 2 0 374.573 3.270 20 0 FGADRP C[C@@H](CCCC(F)(F)F)[NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000480259670 502515838 /nfs/dbraw/zinc/51/58/38/502515838.db2.gz IGCGVGMSIWUCMD-INIZCTEOSA-N 2 0 358.452 3.304 20 0 FGADRP CC[N@H+](Cc1ccc(C(=O)NC[C@@]2([NH+](C)C)CCSC2)cc1)C(C)C ZINC000480368520 502548960 /nfs/dbraw/zinc/54/89/60/502548960.db2.gz ZNDHAMVSSCJIFM-FQEVSTJZSA-N 2 0 363.571 3.084 20 0 FGADRP CCC[C@H]([NH2+]C(C)C)C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000473298287 502562174 /nfs/dbraw/zinc/56/21/74/502562174.db2.gz DEOZSDCAEBAZRA-WMZOPIPTSA-N 2 0 351.560 3.243 20 0 FGADRP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N1CCN(Cc2ccccc2)C[C@H]1C ZINC000476785875 502585563 /nfs/dbraw/zinc/58/55/63/502585563.db2.gz BIVSGRWWPUUECI-VAMGGRTRSA-N 2 0 372.557 3.023 20 0 FGADRP O=C(N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC000480553628 502601124 /nfs/dbraw/zinc/60/11/24/502601124.db2.gz KXLKSGMJWBUGFK-NHCUHLMSSA-N 2 0 369.553 3.422 20 0 FGADRP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)c1oc2ccccc2c1C[NH+](C)C ZINC000582608563 506323672 /nfs/dbraw/zinc/32/36/72/506323672.db2.gz CYHOWNXRRKDIEX-OAHLLOKOSA-N 2 0 357.498 3.297 20 0 FGADRP CCC[NH+]1CCC(C[NH2+][C@H](C)[C@H](c2ccccc2)N2CCOCC2)CC1 ZINC000480584140 502610954 /nfs/dbraw/zinc/61/09/54/502610954.db2.gz PKBTZWAZFSBTQE-DENIHFKCSA-N 2 0 359.558 3.160 20 0 FGADRP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000476885275 502612901 /nfs/dbraw/zinc/61/29/01/502612901.db2.gz VJAPMRQODQAOPF-NQIIRXRSSA-N 2 0 370.541 3.051 20 0 FGADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H](C)c2ccc(OCC(F)(F)F)cc2)CC1 ZINC000480607925 502619611 /nfs/dbraw/zinc/61/96/11/502619611.db2.gz JRUQFDDMANEATJ-JKSUJKDBSA-N 2 0 373.463 3.304 20 0 FGADRP C[C@H]([NH2+]CCC[N@@H+]1CCCC[C@@H]1C)[C@@H](c1ccccc1)N1CCOCC1 ZINC000480613694 502621510 /nfs/dbraw/zinc/62/15/10/502621510.db2.gz PNAWQJXCRZWQKD-ONTIZHBOSA-N 2 0 359.558 3.303 20 0 FGADRP CCC[N@@H+]1CCC[C@H]1CNC(=O)NCc1ccc(C[NH+](CC)CC)cc1 ZINC000476934479 502625184 /nfs/dbraw/zinc/62/51/84/502625184.db2.gz WVCSIAVDZQIQBQ-FQEVSTJZSA-N 2 0 360.546 3.202 20 0 FGADRP Brc1cc2c(cc1C[NH+]1CCC([C@H]3CCC[NH2+]3)CC1)OCO2 ZINC000470023292 502633612 /nfs/dbraw/zinc/63/36/12/502633612.db2.gz YWRPKLIRHHONGT-OAHLLOKOSA-N 2 0 367.287 3.142 20 0 FGADRP CC[NH+](CC)Cc1ccccc1CNC(=O)N1CC[C@@H]([NH+]2CCCC2)[C@@H]1C ZINC000476962932 502634470 /nfs/dbraw/zinc/63/44/70/502634470.db2.gz PZOBSSKLZJGEDL-GHTZIAJQSA-N 2 0 372.557 3.297 20 0 FGADRP C[C@@H]([NH2+]CCN1CCC([NH+](C)C)CC1)c1ccc(-c2ccncc2)cc1 ZINC000484463713 502646751 /nfs/dbraw/zinc/64/67/51/502646751.db2.gz BBTIMPNEHAJVDJ-GOSISDBHSA-N 2 0 352.526 3.425 20 0 FGADRP C[C@H]([NH2+]CCN1CCC([NH+](C)C)CC1)c1ccc(OCC(F)(F)F)cc1 ZINC000484482731 502650554 /nfs/dbraw/zinc/65/05/54/502650554.db2.gz KCOBVMFRNHUPEF-HNNXBMFYSA-N 2 0 373.463 3.304 20 0 FGADRP CC(C)C[NH+]1CCC([NH2+][C@H](C)CCCOc2ccccc2C(N)=O)CC1 ZINC000470085548 502653597 /nfs/dbraw/zinc/65/35/97/502653597.db2.gz GXQOTJMWJIHNJK-QGZVFWFLSA-N 2 0 361.530 3.043 20 0 FGADRP CN(CC[N@H+](C)C1CC1)C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000473674497 502674126 /nfs/dbraw/zinc/67/41/26/502674126.db2.gz IGYXIPHUZYGGCU-UHFFFAOYSA-N 2 0 358.530 3.273 20 0 FGADRP C[C@@H](NC(=O)NCC[N@H+](C)Cc1ccccc1)[C@@H](c1ccccc1)[NH+](C)C ZINC000484668295 502702934 /nfs/dbraw/zinc/70/29/34/502702934.db2.gz GHRADWNPXYQEDR-NQIIRXRSSA-N 2 0 368.525 3.109 20 0 FGADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000477216177 502709954 /nfs/dbraw/zinc/70/99/54/502709954.db2.gz CFGZJGYJOHDSJG-PMACEKPBSA-N 2 0 364.578 3.014 20 0 FGADRP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCN(c3cccc(OC(F)(F)F)c3)C2)[C@@H](C)C1 ZINC000470243762 502714213 /nfs/dbraw/zinc/71/42/13/502714213.db2.gz PJDPPGLAYVAELC-DAYGRLMNSA-N 2 0 371.447 3.484 20 0 FGADRP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCC[C@H]2C[NH+]2CCCC2)C1 ZINC000477266889 502724699 /nfs/dbraw/zinc/72/46/99/502724699.db2.gz PTNBYMUIJCBGQE-OALUTQOASA-N 2 0 364.578 3.157 20 0 FGADRP C[C@@H]1C[NH+](CCC2CC[NH+](CCCC3CCOCC3)CC2)C[C@@H](C)O1 ZINC000463277290 502743313 /nfs/dbraw/zinc/74/33/13/502743313.db2.gz CJRVUVISDVYDNT-RTBURBONSA-N 2 0 352.563 3.405 20 0 FGADRP C[C@@H]1C[C@H](N(C)C(=O)c2ccc3c(c2)C[NH2+]C3)CC[N@@H+]1Cc1ccccc1 ZINC000470352617 502746681 /nfs/dbraw/zinc/74/66/81/502746681.db2.gz GOXMRBRFMOCVMZ-VGOFRKELSA-N 2 0 363.505 3.415 20 0 FGADRP C[C@H](NC(=O)[C@H](C)[NH+]1CCC(C[NH+](C)C)CC1)c1cc2ccccc2o1 ZINC000481068273 502747009 /nfs/dbraw/zinc/74/70/09/502747009.db2.gz CIIDNZZVOGSKPY-HOTGVXAUSA-N 2 0 357.498 3.272 20 0 FGADRP C[C@@H]([NH2+][C@H]1CC[C@@H](C)C[C@H]1C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000481164816 502770038 /nfs/dbraw/zinc/77/00/38/502770038.db2.gz HYKXDIDUCZOMJZ-QEUPLWARSA-N 2 0 357.542 3.180 20 0 FGADRP C[C@H]([NH2+][C@H]1CCN(Cc2ccccc2)C[C@H]1C)C(=O)N1CCC(C)CC1 ZINC000481176085 502772846 /nfs/dbraw/zinc/77/28/46/502772846.db2.gz WYJPSJHEXLWUCQ-DYXWJJEUSA-N 2 0 357.542 3.134 20 0 FGADRP CC[N@H+](CCNC(=O)N[C@H]1[C@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C)C(C)C ZINC000474006775 502777126 /nfs/dbraw/zinc/77/71/26/502777126.db2.gz BZGSKCMSSFGCNS-KXTWHKPSSA-N 2 0 374.573 3.173 20 0 FGADRP COc1ccc2c(c1)C(C)(C)C[C@H]2[NH2+]C[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000474058134 502793053 /nfs/dbraw/zinc/79/30/53/502793053.db2.gz XWHNJKCKLPHGFK-NHCUHLMSSA-N 2 0 359.558 3.279 20 0 FGADRP C[C@H](C(=O)N1CCC[NH+](CCCc2ccccc2)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000513070147 502844286 /nfs/dbraw/zinc/84/42/86/502844286.db2.gz OJYDOEBUVKAGCA-QHAWAJNXSA-N 2 0 371.569 3.415 20 0 FGADRP CN(C(=O)c1sccc1F)[C@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000489148592 502887574 /nfs/dbraw/zinc/88/75/74/502887574.db2.gz PQGGAYQOFWLISQ-SJORKVTESA-N 2 0 367.534 3.296 20 0 FGADRP CC(C)Cc1ccc([C@H](CNC(=O)NCC2=CC[N@H+](C)CC2)[NH+](C)C)cc1 ZINC000513381355 502920789 /nfs/dbraw/zinc/92/07/89/502920789.db2.gz AUROQCOXIHFVND-NRFANRHFSA-N 2 0 372.557 3.049 20 0 FGADRP CC(C)[C@H]1CN(C(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)CC[N@@H+]1C ZINC000489347939 502934431 /nfs/dbraw/zinc/93/44/31/502934431.db2.gz LEMSEGAGEDZVFG-HXUWFJFHSA-N 2 0 357.542 3.087 20 0 FGADRP CC[C@H](C)[NH2+][C@H](CNC(=O)N1CCC(CC[NH+](C)C)CC1)c1ccco1 ZINC000509566209 502936336 /nfs/dbraw/zinc/93/63/36/502936336.db2.gz DHHCENVFPWTZSP-FUHWJXTLSA-N 2 0 364.534 3.082 20 0 FGADRP CCC[NH+]1CCC(N(C)C(=O)NC[C@H]([NH2+][C@@H](C)CC)c2ccco2)CC1 ZINC000509583406 502941298 /nfs/dbraw/zinc/94/12/98/502941298.db2.gz JXJJPLSSYNILBQ-WMZOPIPTSA-N 2 0 364.534 3.225 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccsc1 ZINC000501178285 502953394 /nfs/dbraw/zinc/95/33/94/502953394.db2.gz YGQPJXCQRUFMMD-OKZBNKHCSA-N 2 0 364.559 3.057 20 0 FGADRP CC[N@H+](CCNC(=O)NCC[C@H]1C[C@H](C)[NH+](Cc2ccccc2)C1)C(C)C ZINC000509710547 502973407 /nfs/dbraw/zinc/97/34/07/502973407.db2.gz FINFHZIXKMGYJR-FPOVZHCZSA-N 2 0 374.573 3.317 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccc2ccccc2c1 ZINC000505731127 502974708 /nfs/dbraw/zinc/97/47/08/502974708.db2.gz HUNWJLXFGAHUFU-OAQYLSRUSA-N 2 0 353.510 3.328 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)NC[C@H](c2ccsc2)[NH+](C)C)C1 ZINC000501494163 503020371 /nfs/dbraw/zinc/02/03/71/503020371.db2.gz FUDRNCQQXDTVLB-SOLBZPMBSA-N 2 0 366.575 3.018 20 0 FGADRP CCc1ccc([C@H](CNC(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)[NH+](C)C)cc1 ZINC000489774578 503031204 /nfs/dbraw/zinc/03/12/04/503031204.db2.gz IZAIAPSLDOLFRY-AQNXPRMDSA-N 2 0 360.546 3.024 20 0 FGADRP CC(C)(C[NH2+][C@@H]1CCCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21)OCCO ZINC000489795869 503037550 /nfs/dbraw/zinc/03/75/50/503037550.db2.gz KTWZETFQISVKTI-NJDAHSKKSA-N 2 0 360.542 3.054 20 0 FGADRP CC[NH+](CC)CCCNC(=O)C1CC[NH+](C[C@@H]2CCCC(F)(F)C2)CC1 ZINC000513897550 503044110 /nfs/dbraw/zinc/04/41/10/503044110.db2.gz SKYJDIIZDGGQOH-QGZVFWFLSA-N 2 0 373.532 3.372 20 0 FGADRP C[N@H+](CCNC(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1)C1CCCCC1 ZINC000513932032 503051505 /nfs/dbraw/zinc/05/15/05/503051505.db2.gz QVWANVPAMPZXFE-NRFANRHFSA-N 2 0 372.557 3.387 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N[C@H](C)CC[NH+](C)C)c1ccccc1Cl ZINC000514148195 503100134 /nfs/dbraw/zinc/10/01/34/503100134.db2.gz CYEQZOHZGMAWPK-CRAIPNDOSA-N 2 0 368.953 3.362 20 0 FGADRP CC[C@@H](C)[NH2+][C@@H](CNC(=O)NCC1(C[NH+](C)C)CCCC1)c1ccco1 ZINC000501921144 503109208 /nfs/dbraw/zinc/10/92/08/503109208.db2.gz VOSDBDAWXFNCHY-SJORKVTESA-N 2 0 364.534 3.130 20 0 FGADRP CC[C@@H]([NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1)c1ccccc1F ZINC000490167573 503121221 /nfs/dbraw/zinc/12/12/21/503121221.db2.gz KTNHTCATARHUEP-OAQYLSRUSA-N 2 0 356.489 3.474 20 0 FGADRP Cc1ccc2nc(CN3CCC[C@@H](C[N@H+]4CCCC[C@H]4C)C3)cc(=O)n2c1 ZINC000506475287 503122551 /nfs/dbraw/zinc/12/25/51/503122551.db2.gz UYWPQURVGDSYNQ-RTBURBONSA-N 2 0 368.525 3.089 20 0 FGADRP [NH3+][C@H](CC(F)F)C(=O)N1CC[N@H+](Cc2ccccc2)C2(CCCCC2)C1 ZINC000498198172 503128752 /nfs/dbraw/zinc/12/87/52/503128752.db2.gz JXNLTNOLTHUMLS-QGZVFWFLSA-N 2 0 365.468 3.016 20 0 FGADRP CC[N@@H+]1C[C@H](C)N(C(=O)NCC2CC[NH+](Cc3ccccc3)CC2)C[C@H]1C ZINC000498220598 503133660 /nfs/dbraw/zinc/13/36/60/503133660.db2.gz BCDHYHIDIHLTKT-MOPGFXCFSA-N 2 0 372.557 3.023 20 0 FGADRP [NH3+]C[C@@H]1C[N@H+](Cc2ccccc2OCc2ccccc2)CC12CCOCC2 ZINC000582666090 506354589 /nfs/dbraw/zinc/35/45/89/506354589.db2.gz IWUVLWIAFZZKSI-OAQYLSRUSA-N 2 0 366.505 3.453 20 0 FGADRP CCCN(CC[NH+]1CCCC1)C(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000502170214 503155192 /nfs/dbraw/zinc/15/51/92/503155192.db2.gz QQQHXAOASZAJNZ-FPOVZHCZSA-N 2 0 372.557 3.024 20 0 FGADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1ccc(-c2ccccc2)[nH]1 ZINC000498328459 503158751 /nfs/dbraw/zinc/15/87/51/503158751.db2.gz BTGFQAYXQHCQCR-UHFFFAOYSA-N 2 0 356.514 3.027 20 0 FGADRP CC(C)[C@H](C[NH2+][C@@H](C)CCc1c(F)cccc1F)N1CC[NH+](C)CC1 ZINC000510754729 503185834 /nfs/dbraw/zinc/18/58/34/503185834.db2.gz NTVYUXNELZRPDC-JXFKEZNVSA-N 2 0 353.501 3.148 20 0 FGADRP C[C@@H](C(=O)NCC(C)(C)[NH+]1CCc2ccccc2C1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000510778977 503191245 /nfs/dbraw/zinc/19/12/45/503191245.db2.gz BOTQZJJZZVZWFW-KSZLIROESA-N 2 0 357.542 3.201 20 0 FGADRP C[C@@H]1CCC[N@H+](CCNC(=O)N2CCC[C@@H](C[NH+]3CCCC[C@@H]3C)C2)C1 ZINC000506927797 503196522 /nfs/dbraw/zinc/19/65/22/503196522.db2.gz BKYQRVBGAJVVBZ-AABGKKOBSA-N 2 0 364.578 3.014 20 0 FGADRP CC[C@H](c1ccc(F)cc1F)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000490651709 503209728 /nfs/dbraw/zinc/20/97/28/503209728.db2.gz TWXSUEYRRNJMEW-CWFSZBLJSA-N 2 0 351.485 3.374 20 0 FGADRP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCC[C@@H](C(=O)NCC2CC2)C1 ZINC000507054339 503221900 /nfs/dbraw/zinc/22/19/00/503221900.db2.gz RHYVXPAXAOSACI-OAQYLSRUSA-N 2 0 371.569 3.383 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N[C@H](C)C[N@H+](C)C(C)C)c1ccsc1 ZINC000515100875 503271894 /nfs/dbraw/zinc/27/18/94/503271894.db2.gz PTYJIYTYQZCVBI-NVXWUHKLSA-N 2 0 354.564 3.159 20 0 FGADRP CC1CC[NH+](CCCCNC(=O)NCC(C)(C)[NH+]2CCCCC2)CC1 ZINC000502788766 503272099 /nfs/dbraw/zinc/27/20/99/503272099.db2.gz MOCUVQXSQZYTGT-UHFFFAOYSA-N 2 0 352.567 3.062 20 0 FGADRP CC1CC[NH+](C2CCC(NC(=O)NCC3([NH+](C)C)CCCC3)CC2)CC1 ZINC000502795115 503274174 /nfs/dbraw/zinc/27/41/74/503274174.db2.gz WOZKIFOOPCMFSM-UHFFFAOYSA-N 2 0 364.578 3.203 20 0 FGADRP Cc1cccc(C)c1OC[C@H](O)CN1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000498860023 503277416 /nfs/dbraw/zinc/27/74/16/503277416.db2.gz YOJXTVASCYAGMI-FCHUYYIVSA-N 2 0 374.569 3.487 20 0 FGADRP C[C@H]1CCC[N@H+](CCCCNC(=O)NC[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000502842850 503286267 /nfs/dbraw/zinc/28/62/67/503286267.db2.gz MFYLJUIHONPKNY-AZUAARDMSA-N 2 0 360.546 3.101 20 0 FGADRP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000502848125 503288228 /nfs/dbraw/zinc/28/82/28/503288228.db2.gz VDAPSIIYXXXAQB-IBGZPJMESA-N 2 0 364.578 3.158 20 0 FGADRP C[NH+](C)CCNC(=O)c1ccc(C[NH2+]Cc2ccc3c(c2)CCCC3)cc1 ZINC000491238101 503289151 /nfs/dbraw/zinc/28/91/51/503289151.db2.gz UREKANQCUIYZRY-UHFFFAOYSA-N 2 0 365.521 3.147 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)NCC1([NH+](C)C)CCCCC1 ZINC000502862466 503291520 /nfs/dbraw/zinc/29/15/20/503291520.db2.gz NLULWRGWUWLEBH-GOSISDBHSA-N 2 0 352.567 3.205 20 0 FGADRP CC[N@@H+]1CCC[C@@H](CNC(=O)NCC2([NH+]3CCCCC3)CCCCC2)C1 ZINC000507410382 503295827 /nfs/dbraw/zinc/29/58/27/503295827.db2.gz UGTSZAFVEFUBBP-IBGZPJMESA-N 2 0 364.578 3.206 20 0 FGADRP Cc1ccc([C@H](CNC(=O)N(C)CCC[NH+]2CCCC2)[NH+]2CCCC2)cc1 ZINC000499141594 503342361 /nfs/dbraw/zinc/34/23/61/503342361.db2.gz MBFHOZRIDZYNHR-NRFANRHFSA-N 2 0 372.557 3.259 20 0 FGADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000511677201 503367808 /nfs/dbraw/zinc/36/78/08/503367808.db2.gz HWARWAYOFKBGHD-LAUBAEHRSA-N 2 0 351.494 3.314 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)N1CCC(CC[NH+](C)C)CC1)CC(C)C ZINC000515802966 503403971 /nfs/dbraw/zinc/40/39/71/503403971.db2.gz IZGVFMPPHIDLPZ-LJQANCHMSA-N 2 0 354.583 3.116 20 0 FGADRP Cc1ccccc1-c1cnc(C[NH+]2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)o1 ZINC000515851877 503411942 /nfs/dbraw/zinc/41/19/42/503411942.db2.gz KIXIPCGHMGUFEI-RXVVDRJESA-N 2 0 355.482 3.368 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)NCC1(C)CC[NH+](C)CC1)c1ccsc1 ZINC000508045950 503418812 /nfs/dbraw/zinc/41/88/12/503418812.db2.gz QEJIQASIKAYCQC-KRWDZBQOSA-N 2 0 366.575 3.162 20 0 FGADRP Cc1cnn(C)c1C[NH2+]CCc1ccc(OCC[N@H+]2C[C@H](C)[C@H](C)C2)cc1 ZINC000511978162 503427334 /nfs/dbraw/zinc/42/73/34/503427334.db2.gz LWKMYPUUAILDGQ-KDURUIRLSA-N 2 0 370.541 3.027 20 0 FGADRP C[C@@H]1CN(C2CC2)C[C@H]1[NH2+]CCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000493694969 503440628 /nfs/dbraw/zinc/44/06/28/503440628.db2.gz ZLQGPLYMXKJFNM-AUSIDOKSSA-N 2 0 371.569 3.130 20 0 FGADRP COc1ccc(C[NH+]2CCC(CC[NH3+])CC2)cc1OCc1cccnc1 ZINC000516073040 503441616 /nfs/dbraw/zinc/44/16/16/503441616.db2.gz JYFJEZZQXDHEOE-UHFFFAOYSA-N 2 0 355.482 3.230 20 0 FGADRP CCC[N@@H+]1CC[C@H](CNC(=O)N2C[C@@H](C)[NH+](Cc3ccccc3)C[C@H]2C)C1 ZINC000499612172 503442897 /nfs/dbraw/zinc/44/28/97/503442897.db2.gz ZDPTVEJNGNIKKL-SFHLNBCPSA-N 2 0 372.557 3.023 20 0 FGADRP Cc1ccccc1[C@H]([C@@H](C)NC(=O)NCC[N@H+](C)C1CCCC1)[NH+](C)C ZINC000493866081 503450423 /nfs/dbraw/zinc/45/04/23/503450423.db2.gz ZOUJZWQVJNJMEG-XLIONFOSSA-N 2 0 360.546 3.160 20 0 FGADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)N[C@@H](C)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000493940654 503462251 /nfs/dbraw/zinc/46/22/51/503462251.db2.gz JOWNEJGUQMQDTD-NLWGTHIKSA-N 2 0 360.546 3.097 20 0 FGADRP CCC[C@H]([NH2+]C(C)C)C(=O)N[C@@H]1CC[N@H+](C2CC2)[C@H]1c1cccc(OC)c1 ZINC000503867328 503480985 /nfs/dbraw/zinc/48/09/85/503480985.db2.gz BLFOMQRSHLATHY-HKBOAZHASA-N 2 0 373.541 3.256 20 0 FGADRP Cc1nc2ccccc2n1CCNC(=O)c1ccc(Cn2ccnc2)cc1 ZINC000508422064 503491205 /nfs/dbraw/zinc/49/12/05/503491205.db2.gz IWSKHVSMKYACOZ-UHFFFAOYSA-N 2 0 359.433 3.020 20 0 FGADRP Cc1nc2ccc(C[NH2+]C3CC[NH+]([C@H]4CCCC[C@@H]4O)CC3)cc2s1 ZINC000494193283 503501079 /nfs/dbraw/zinc/50/10/79/503501079.db2.gz YAYMPMXHWYTVPN-OALUTQOASA-N 2 0 359.539 3.462 20 0 FGADRP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)[C@@H]1CCC[NH+]1C1CC1 ZINC000494247895 503512471 /nfs/dbraw/zinc/51/24/71/503512471.db2.gz NGFZWAUARMPACK-UWJYYQICSA-N 2 0 355.526 3.304 20 0 FGADRP C[NH+](C)CC1(C(=O)NC2CC[NH+](CCc3ccccc3)CC2)CCCCC1 ZINC000494291728 503520507 /nfs/dbraw/zinc/52/05/07/503520507.db2.gz ZDGMKKURDGHBJO-UHFFFAOYSA-N 2 0 371.569 3.322 20 0 FGADRP CCN(CC[NH+]1CCCCCC1)C(=O)NC[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC000499966214 503523436 /nfs/dbraw/zinc/52/34/36/503523436.db2.gz APTXHKJAMCUORA-FQEVSTJZSA-N 2 0 366.594 3.262 20 0 FGADRP C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000504130421 503528313 /nfs/dbraw/zinc/52/83/13/503528313.db2.gz ZMKMPMSXIUIUPO-HOJAQTOUSA-N 2 0 362.562 3.052 20 0 FGADRP Cc1ccccc1[C@@H]([C@H](C)NC(=O)Nc1ccc2c(c1)C[NH2+]C2)[NH+](C)C ZINC000516552863 503534328 /nfs/dbraw/zinc/53/43/28/503534328.db2.gz UQCVUBZGMVMEGO-MGPUTAFESA-N 2 0 352.482 3.411 20 0 FGADRP C[C@@H]([NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000508699861 503545776 /nfs/dbraw/zinc/54/57/76/503545776.db2.gz SBFQBXURBNAMSH-SRUXOGRHSA-N 3 0 373.585 3.376 20 0 FGADRP O=C(NCc1ccccc1C[NH+]1CCCCC1)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000504324423 503556597 /nfs/dbraw/zinc/55/65/97/503556597.db2.gz LCHVJACXGXFRBU-NHCUHLMSSA-N 2 0 370.541 3.099 20 0 FGADRP Cc1ccccc1[C@@H]([C@@H](C)NC(=O)N(CC[NH+](C)C)CC(C)C)[NH+](C)C ZINC000508852099 503578102 /nfs/dbraw/zinc/57/81/02/503578102.db2.gz ZTPQZMNZBFXAIV-UYAOXDASSA-N 2 0 362.562 3.215 20 0 FGADRP C[C@@H]1C[C@@H](CCNC(=O)C[NH+]2CCC(C)CC2)C[N@@H+]1Cc1ccccc1 ZINC000512545456 503581330 /nfs/dbraw/zinc/58/13/30/503581330.db2.gz OFIRUMFPSOCHCU-TZIWHRDSSA-N 2 0 357.542 3.135 20 0 FGADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2conc2Cc2ccccc2)C1 ZINC000508862152 503581684 /nfs/dbraw/zinc/58/16/84/503581684.db2.gz WATHXBTUJSXDNK-FQEVSTJZSA-N 2 0 357.498 3.198 20 0 FGADRP O[C@@H](C[NH2+]Cc1ccccc1C[NH+]1CCCCC1)COc1ccccc1F ZINC000516761435 503581946 /nfs/dbraw/zinc/58/19/46/503581946.db2.gz FBOKENAXIVCSDS-FQEVSTJZSA-N 2 0 372.484 3.341 20 0 FGADRP CC[NH+](CC)CC1CCN(C(=O)N[C@@H](C)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000508902048 503595440 /nfs/dbraw/zinc/59/54/40/503595440.db2.gz VVDPNLOJESPJFO-RXVVDRJESA-N 2 0 374.573 3.441 20 0 FGADRP Cc1ccccc1[C@H]([C@H](C)NC(=O)N1CC[C@H]([NH+]2CCCC2)[C@@H]1C)[NH+](C)C ZINC000508903526 503596249 /nfs/dbraw/zinc/59/62/49/503596249.db2.gz YDGZWBFEGBKEGF-QIJZPMMNSA-N 2 0 372.557 3.254 20 0 FGADRP CN(C)[C@]1(C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CCSC1 ZINC000512625914 503598164 /nfs/dbraw/zinc/59/81/64/503598164.db2.gz QWRFTLFFIBWKGQ-KJJMTIBFSA-N 2 0 373.610 3.314 20 0 FGADRP C[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)[C@@H]1C ZINC000512667496 503608426 /nfs/dbraw/zinc/60/84/26/503608426.db2.gz PWMRXRLTWFYKRZ-DBXWQHBBSA-N 2 0 357.542 3.427 20 0 FGADRP CC(C)[N@@H+](C)C[C@H](C)NC(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000516900459 503612704 /nfs/dbraw/zinc/61/27/04/503612704.db2.gz UIFHFKOLIHHGKO-SFHVURJKSA-N 2 0 352.567 3.013 20 0 FGADRP CC[C@@H]1CN(C(=O)CC[C@@H]2CCCC[NH+]2C)CC[N@@H+]1Cc1ccccc1 ZINC000504805868 503618073 /nfs/dbraw/zinc/61/80/73/503618073.db2.gz WYTILIKLSLACBI-RTWAWAEBSA-N 2 0 357.542 3.374 20 0 FGADRP C[C@H](NC(=O)C[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)c1ccc2c(c1)CCCC2 ZINC000516927833 503621476 /nfs/dbraw/zinc/62/14/76/503621476.db2.gz HSNJMWSQDPSYMJ-BULFRSBZSA-N 2 0 369.553 3.064 20 0 FGADRP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000532913211 503654218 /nfs/dbraw/zinc/65/42/18/503654218.db2.gz MIHQBUHDMRMPAF-GUDVDZBRSA-N 2 0 357.542 3.134 20 0 FGADRP Cc1cc(Br)cn2c(C[NH2+]C[C@H]3CCC(C)(C)O3)cnc12 ZINC000495153794 503684231 /nfs/dbraw/zinc/68/42/31/503684231.db2.gz ATMACASOYJGMRI-CQSZACIVSA-N 2 0 352.276 3.452 20 0 FGADRP Cc1cc(Br)cn2c(C[NH2+]C[C@@H]3CCC(C)(C)O3)cnc12 ZINC000495153793 503684704 /nfs/dbraw/zinc/68/47/04/503684704.db2.gz ATMACASOYJGMRI-AWEZNQCLSA-N 2 0 352.276 3.452 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC2CCN(c3cc[nH+]cc3)CC2)[C@H](C)C1 ZINC000540137806 503685778 /nfs/dbraw/zinc/68/57/78/503685778.db2.gz RDPOVVOIZXUWED-KNQAVFIVSA-N 2 0 374.573 3.025 20 0 FGADRP C[NH+](C)Cc1ccc(C[NH2+]CCC(=O)Nc2cc(F)cc(F)c2)cc1F ZINC000517230584 503686000 /nfs/dbraw/zinc/68/60/00/503686000.db2.gz GZDRORZSMDUUJL-UHFFFAOYSA-N 2 0 365.399 3.284 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCOc2ccc(F)c(F)c2)[C@@H](C)C1 ZINC000540167749 503695850 /nfs/dbraw/zinc/69/58/50/503695850.db2.gz SHAUGUWETIXABW-KXBFYZLASA-N 2 0 356.457 3.070 20 0 FGADRP CC(C)[N@H+](C)CC1CCN(C(=O)NCc2ccc(CC[NH+](C)C)cc2)CC1 ZINC000527212136 503721019 /nfs/dbraw/zinc/72/10/19/503721019.db2.gz BYQRFKDIUONVLO-UHFFFAOYSA-N 2 0 374.573 3.053 20 0 FGADRP CC(C)[C@@H]([NH2+]C[C@H](c1cccs1)N1CCN(C)CC1)c1cccnc1 ZINC000540260727 503726900 /nfs/dbraw/zinc/72/69/00/503726900.db2.gz KASZBQVPVNKNPO-UYAOXDASSA-N 2 0 358.555 3.419 20 0 FGADRP Cc1ccc(CN(CC[NH+](C)C)Cc2cn(-c3cc[nH+]cc3)nc2C)o1 ZINC000517439485 503745961 /nfs/dbraw/zinc/74/59/61/503745961.db2.gz ZHARSFWTTUXFKH-UHFFFAOYSA-N 2 0 353.470 3.041 20 0 FGADRP Cc1ncc([C@@H](C)[NH2+]CCc2ccc(OCC[NH+]3CCCC3)cc2)c(C)n1 ZINC000540394956 503758222 /nfs/dbraw/zinc/75/82/22/503758222.db2.gz LKVWGCVGJSWBEG-QGZVFWFLSA-N 2 0 368.525 3.461 20 0 FGADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)NC2CC[NH+](C(C)(C)C)CC2)C1 ZINC000517543704 503766956 /nfs/dbraw/zinc/76/69/56/503766956.db2.gz ZLBUZDUJYAIFEF-PXNSSMCTSA-N 2 0 372.557 3.384 20 0 FGADRP O=C(NCC[NH+]1CCCC1)c1ccc(C[NH2+][C@@H]2CCC[C@@H]2C2CC2)cc1 ZINC000537015734 503777884 /nfs/dbraw/zinc/77/78/84/503777884.db2.gz JGPUIQLQYZLLPI-NHCUHLMSSA-N 2 0 355.526 3.181 20 0 FGADRP Cc1cccc(NCC[NH2+][C@@H]2CC3(CC[NH+](C)CC3)Oc3ccccc32)n1 ZINC000540495398 503792204 /nfs/dbraw/zinc/79/22/04/503792204.db2.gz XQHPLOOQTLNNDF-LJQANCHMSA-N 2 0 366.509 3.380 20 0 FGADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2c(C3CC3)nc3sccn23)C1 ZINC000540506040 503797779 /nfs/dbraw/zinc/79/77/79/503797779.db2.gz YCXVNZNODSKCRX-INIZCTEOSA-N 2 0 362.543 3.206 20 0 FGADRP C[C@@H]1C[NH+](CCOc2ccc(CC[NH2+][C@@H]3CC[N@H+](C)[C@H](C)C3)cc2)C[C@H]1C ZINC000537096134 503801728 /nfs/dbraw/zinc/80/17/28/503801728.db2.gz IMCCKLZGCURXHR-NXLVEIQXSA-N 3 0 373.585 3.268 20 0 FGADRP C[C@@H]1[C@H](C)N(C(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)CC[N@H+]1C ZINC000543563757 503813452 /nfs/dbraw/zinc/81/34/52/503813452.db2.gz LAFRVXIHOLNVRV-MSOLQXFVSA-N 2 0 358.530 3.271 20 0 FGADRP C[C@@H]1CC([NH2+]Cc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)C[C@@H](C)C1 ZINC000533361033 503816909 /nfs/dbraw/zinc/81/69/09/503816909.db2.gz SVSCVLLPPCTHOU-ROUUACIJSA-N 2 0 357.542 3.427 20 0 FGADRP CC(C)c1nc2c([nH]1)C[C@@H](C(=O)N1CCN(C)C[C@H]1c1ccccc1)CC2 ZINC000527512439 503819310 /nfs/dbraw/zinc/81/93/10/503819310.db2.gz HTWTYYPUQSTNEL-PXNSSMCTSA-N 2 0 366.509 3.153 20 0 FGADRP C[C@@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+]CC1=CC[N@H+](C)CC1 ZINC000540607482 503832875 /nfs/dbraw/zinc/83/28/75/503832875.db2.gz UARUFJSFMHAACC-ZDUSSCGKSA-N 2 0 355.404 3.274 20 0 FGADRP C[NH+]1CCN(c2cc[nH+]cc2NCc2ccc3c(c2)COC(C)(C)O3)CC1 ZINC000546716026 503849105 /nfs/dbraw/zinc/84/91/05/503849105.db2.gz SUBAYOFLYZATSF-UHFFFAOYSA-N 2 0 368.481 3.091 20 0 FGADRP C[NH+](C)[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)c1ccc(Cl)cc1 ZINC000533510640 503870024 /nfs/dbraw/zinc/87/00/24/503870024.db2.gz NKCZTQPJWUQSCN-OALUTQOASA-N 2 0 363.933 3.466 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N(C)CCC[NH+]1CCCC1)c1ccsc1 ZINC000537305569 503874050 /nfs/dbraw/zinc/87/40/50/503874050.db2.gz YTANPPYWLQWUHY-GOSISDBHSA-N 2 0 366.575 3.258 20 0 FGADRP OCCN1CC[NH+](CCCC[NH2+][C@@H]2CCC[C@@H](c3ccccc3)CC2)CC1 ZINC000527659946 503881770 /nfs/dbraw/zinc/88/17/70/503881770.db2.gz NKVRPRSAKUROOD-DHIUTWEWSA-N 2 0 373.585 3.083 20 0 FGADRP COc1ccc2cc(C[NH+]3CCC(CO[C@H]4CC[NH2+]C4)CC3)ccc2c1 ZINC000530248536 503893848 /nfs/dbraw/zinc/89/38/48/503893848.db2.gz LVAPSBUBYHNTHC-QFIPXVFZSA-N 2 0 354.494 3.439 20 0 FGADRP C[C@H]1CCC[N@H+](CCCCNC(=O)[C@@H]2CCC[NH+]2Cc2ccccc2)C1 ZINC000518031226 503894080 /nfs/dbraw/zinc/89/40/80/503894080.db2.gz YRTXGSKCOQNHMQ-FPOVZHCZSA-N 2 0 357.542 3.279 20 0 FGADRP Cc1nn(-c2ccccc2)c(C)c1C[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530248464 503894511 /nfs/dbraw/zinc/89/45/11/503894511.db2.gz KWIIVAYONYPGKO-OAQYLSRUSA-N 2 0 368.525 3.080 20 0 FGADRP C[C@H]1C[C@@H](CCNC(=O)c2c[nH+]ccc2N(C)C)C[N@@H+]1Cc1ccccc1 ZINC000546855940 503903130 /nfs/dbraw/zinc/90/31/30/503903130.db2.gz NIOCGAFGXSZTPK-PKOBYXMFSA-N 2 0 366.509 3.178 20 0 FGADRP C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000518081832 503904518 /nfs/dbraw/zinc/90/45/18/503904518.db2.gz YZKXMFCFSWYIDM-PMACEKPBSA-N 2 0 372.557 3.167 20 0 FGADRP Cc1ccc2[nH+]ccc(N3CCC(C)(C[NH+]4CCN(C)CC4)CC3)c2c1 ZINC000546888153 503916315 /nfs/dbraw/zinc/91/63/15/503916315.db2.gz SPIRAFLPFLXPGV-UHFFFAOYSA-N 2 0 352.526 3.397 20 0 FGADRP CC(C)[N@@H+](C)C[C@H](C)NC(=O)NC[C@H]1CCC[NH+](C)[C@H]1c1cccs1 ZINC000518271001 503940938 /nfs/dbraw/zinc/94/09/38/503940938.db2.gz ZCQPLXDXDVAXFE-LZLYRXPVSA-N 2 0 366.575 3.159 20 0 FGADRP CC[N@@H+](Cc1ccc2c(c1)nnn2C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000537661290 503996122 /nfs/dbraw/zinc/99/61/22/503996122.db2.gz NRDMHQYLMWIMHJ-HXUWFJFHSA-N 2 0 363.509 3.312 20 0 FGADRP CC[NH+](CC)CCCC1CC[NH+](CC(=O)NCc2ccccc2C)CC1 ZINC000541083950 504001304 /nfs/dbraw/zinc/00/13/04/504001304.db2.gz BDSPZOZVFQGHBM-UHFFFAOYSA-N 2 0 359.558 3.445 20 0 FGADRP CC[NH+](CC)CCCC1CCN(C(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000541120853 504016495 /nfs/dbraw/zinc/01/64/95/504016495.db2.gz RGNRQKPRRKDLMR-IEBWSBKVSA-N 2 0 352.567 3.013 20 0 FGADRP CC[NH+](CC)[C@@H](C(=O)N(C)CC[NH+](C)C)c1cccc(C(F)(F)F)c1 ZINC000537720146 504016871 /nfs/dbraw/zinc/01/68/71/504016871.db2.gz PAHRNBBKZZIUNN-MRXNPFEDSA-N 2 0 359.436 3.108 20 0 FGADRP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000518598012 504025030 /nfs/dbraw/zinc/02/50/30/504025030.db2.gz ZPMMMXIXWBOOKV-SVFBPWRDSA-N 2 0 357.542 3.278 20 0 FGADRP O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000518628880 504032149 /nfs/dbraw/zinc/03/21/49/504032149.db2.gz QXOFSIHDLVKAOI-OALUTQOASA-N 2 0 374.529 3.076 20 0 FGADRP C[C@H](CCN1C(=O)c2ccccc2C1=O)[NH2+]CC(C)(C)N1CCC[C@@H](C)C1 ZINC000547367964 504078638 /nfs/dbraw/zinc/07/86/38/504078638.db2.gz XSMCCTZKSPJJFH-IAGOWNOFSA-N 2 0 371.525 3.161 20 0 FGADRP CC[C@H](C(=O)NC[C@H](C(C)C)[N@@H+]1CCc2ccccc2C1)[NH+](CC)CC ZINC000530812502 504094177 /nfs/dbraw/zinc/09/41/77/504094177.db2.gz RXBWATHCTLJQKZ-NHCUHLMSSA-N 2 0 359.558 3.306 20 0 FGADRP CC[NH+]1CCC(n2nccc2NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000530913668 504128769 /nfs/dbraw/zinc/12/87/69/504128769.db2.gz BWIYHMNEQUIUDW-QGZVFWFLSA-N 2 0 373.545 3.133 20 0 FGADRP CSC1(C[NH2+][C@H](C)c2nnn(-c3ccc(C)cc3)c2C)CC[NH+](C)CC1 ZINC000519129675 504146001 /nfs/dbraw/zinc/14/60/01/504146001.db2.gz IEGUGYWRBNTLLJ-MRXNPFEDSA-N 2 0 373.570 3.362 20 0 FGADRP CCN(Cc1ccccc1)C(=O)[C@@H](C)[NH+]1CCC(C[NH+](CC)CC)CC1 ZINC000519222997 504169523 /nfs/dbraw/zinc/16/95/23/504169523.db2.gz KQJXWSXDBUKHCN-LJQANCHMSA-N 2 0 359.558 3.477 20 0 FGADRP C[NH+](C)[C@H](CNC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1)c1ccsc1 ZINC000534612992 504192263 /nfs/dbraw/zinc/19/22/63/504192263.db2.gz WCSXXSJYADMOPW-OTWHNJEPSA-N 2 0 372.538 3.095 20 0 FGADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N(C)CCC[NH+](C)C)cc1 ZINC000544622509 504195315 /nfs/dbraw/zinc/19/53/15/504195315.db2.gz FISXLEZIHRZDGX-SFHVURJKSA-N 2 0 360.546 3.154 20 0 FGADRP CC[C@@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1cc(F)cc(Br)c1 ZINC000538394334 504233463 /nfs/dbraw/zinc/23/34/63/504233463.db2.gz WIALFQYIAZXVCG-OAHLLOKOSA-N 2 0 359.283 3.086 20 0 FGADRP CCO[C@H]1C[C@H]([NH2+]Cc2ccc(CN3CC[NH+](C)CC3)cc2)C12CCCC2 ZINC000538398023 504233884 /nfs/dbraw/zinc/23/38/84/504233884.db2.gz AVKMSFGGGZWCPQ-VXKWHMMOSA-N 2 0 371.569 3.261 20 0 FGADRP Cn1cccc1C[NH2+]Cc1cc(C(F)(F)F)ccc1N1CC[NH+](C)CC1 ZINC000538402846 504236459 /nfs/dbraw/zinc/23/64/59/504236459.db2.gz SDMRDAMDNSDLHT-UHFFFAOYSA-N 2 0 366.431 3.086 20 0 FGADRP Cc1ccc(C[NH+]2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)c(-c2cnn(C)c2)c1 ZINC000519528672 504240836 /nfs/dbraw/zinc/24/08/36/504240836.db2.gz DNPRJLAYYSJRJA-FCHUYYIVSA-N 2 0 368.525 3.114 20 0 FGADRP C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2Cc2ccccc2)C1 ZINC000531296648 504255923 /nfs/dbraw/zinc/25/59/23/504255923.db2.gz YKWJXTSAODOLPJ-YADHBBJMSA-N 2 0 369.553 3.231 20 0 FGADRP C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)C[NH+]3CCC(C)(C)C3)cc2)C1 ZINC000519574825 504258395 /nfs/dbraw/zinc/25/83/95/504258395.db2.gz STPMKEYWGBTLHR-GOSISDBHSA-N 2 0 357.542 3.267 20 0 FGADRP Cc1cc([C@@H](C)[NH2+][C@@H](CC(C)C)C(=O)NCC[NH+](C)C)cc(C)c1F ZINC000538545651 504280360 /nfs/dbraw/zinc/28/03/60/504280360.db2.gz XQEYWZHSJDGPEE-AEFFLSMTSA-N 2 0 351.510 3.186 20 0 FGADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+][C@@H]2CCN(C(C)(C)C)C2=O)CC1 ZINC000519658430 504292628 /nfs/dbraw/zinc/29/26/28/504292628.db2.gz ZGNNSRIBMAQIEV-SOAGJPPSSA-N 2 0 357.542 3.419 20 0 FGADRP C[C@@H](C(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000519751867 504327660 /nfs/dbraw/zinc/32/76/60/504327660.db2.gz XMFSRLSNVFXGEE-QRVBRYPASA-N 2 0 357.542 3.371 20 0 FGADRP CC(C)[NH+](CCNC(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)cc1)C(C)C ZINC000519770607 504333369 /nfs/dbraw/zinc/33/33/69/504333369.db2.gz OPUMSBUUIVMSJS-SFHVURJKSA-N 2 0 368.953 3.361 20 0 FGADRP C[NH+](C)[C@@H](CNC(=O)C[N@H+](C)[C@H]1CCCc2ccccc21)c1ccccc1 ZINC000548113650 504336101 /nfs/dbraw/zinc/33/61/01/504336101.db2.gz GVSAVYFFLKOGCO-VXKWHMMOSA-N 2 0 365.521 3.415 20 0 FGADRP CCC[NH+]1CCC(NC(=O)N2CCC(CCC[NH+](CC)CC)CC2)CC1 ZINC000542049980 504350524 /nfs/dbraw/zinc/35/05/24/504350524.db2.gz FWWVYQZYSJPDGS-UHFFFAOYSA-N 2 0 366.594 3.404 20 0 FGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCOc2ccc(F)cc2F)[C@@H](C)C1 ZINC000531738239 504408632 /nfs/dbraw/zinc/40/86/32/504408632.db2.gz BJHLGTQCLLMNSI-MAUKXSAKSA-N 2 0 356.457 3.070 20 0 FGADRP C[C@H](CC[NH+](C)C)NC(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000520114258 504414423 /nfs/dbraw/zinc/41/44/23/504414423.db2.gz ZBBWVWDDHWMTBI-CRAIPNDOSA-N 2 0 366.937 3.116 20 0 FGADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000520185718 504430241 /nfs/dbraw/zinc/43/02/41/504430241.db2.gz WEASFEAPMBWHLV-SVFBPWRDSA-N 2 0 357.542 3.135 20 0 FGADRP Cc1ccc([C@H](CNC(=O)c2ccccc2CC[NH3+])[NH+]2CCCC2)cc1 ZINC000520245916 504445306 /nfs/dbraw/zinc/44/53/06/504445306.db2.gz XXWHWZFYABPVLL-NRFANRHFSA-N 2 0 351.494 3.063 20 0 FGADRP Cc1ccc([C@H](CNC(=O)NCC2([NH+](C)C)CCCC2)[NH+]2CCCC2)cc1 ZINC000520297734 504457899 /nfs/dbraw/zinc/45/78/99/504457899.db2.gz BICFSEHGAXFWLR-FQEVSTJZSA-N 2 0 372.557 3.306 20 0 FGADRP CC(C)[N@@H+]1CC[C@H](CNC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000548514031 504473727 /nfs/dbraw/zinc/47/37/27/504473727.db2.gz IDHUOOYGEVJWIL-HXUWFJFHSA-N 2 0 357.542 3.135 20 0 FGADRP C[C@H](CCNC(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)[NH+]1CCCCC1 ZINC000542435841 504489454 /nfs/dbraw/zinc/48/94/54/504489454.db2.gz PGVXHTKMUPTWQO-TZIWHRDSSA-N 2 0 372.557 3.215 20 0 FGADRP CC(C)[C@H](C[NH2+][C@@H]1CCCOc2cc(Cl)ccc21)N1CC[NH+](C)CC1 ZINC000539307878 504524674 /nfs/dbraw/zinc/52/46/74/504524674.db2.gz DIHJNNQTNBIANW-MOPGFXCFSA-N 2 0 365.949 3.415 20 0 FGADRP CC[C@H]([NH2+][C@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1)C1CCOCC1 ZINC000532215065 504575287 /nfs/dbraw/zinc/57/52/87/504575287.db2.gz KAUNIKXBPOTTGN-UZLBHIALSA-N 2 0 363.521 3.433 20 0 FGADRP C[C@@H](CC[NH+](C)C)[NH2+][C@@H](C)CC(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000532217809 504577041 /nfs/dbraw/zinc/57/70/41/504577041.db2.gz JMTGIVSLMODJCX-STQMWFEESA-N 2 0 361.408 3.232 20 0 FGADRP CC1(C)CCCC[C@H]1[NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000532226032 504578841 /nfs/dbraw/zinc/57/88/41/504578841.db2.gz QGMWKCICLRWUNC-WOJBJXKFSA-N 2 0 357.542 3.442 20 0 FGADRP CC(C)N1CC[C@H](NC(=O)[C@]2(C)CC[NH2+]C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000520806289 504586193 /nfs/dbraw/zinc/58/61/93/504586193.db2.gz NFAKUTALODYROM-JENIJYKNSA-N 2 0 367.896 3.119 20 0 FGADRP C[C@H](NC(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000542758360 504597745 /nfs/dbraw/zinc/59/77/45/504597745.db2.gz ARLUIDINUROGPE-LNLFQRSKSA-N 2 0 364.578 3.011 20 0 FGADRP C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N[C@H]2CC[NH2+]C23CCC3)C1 ZINC000529290691 504621566 /nfs/dbraw/zinc/62/15/66/504621566.db2.gz VHXZWLIWWGVHLN-XLIONFOSSA-N 2 0 370.541 3.002 20 0 FGADRP Cc1ccc2c(c1)C[N@@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)C(C)(C)C2 ZINC000521076127 504644235 /nfs/dbraw/zinc/64/42/35/504644235.db2.gz JBHRFBCTGXHUBA-UHFFFAOYSA-N 2 0 357.542 3.121 20 0 FGADRP CC[NH+](CC)CCOc1ccc(C[NH2+][C@@H]2CCCOCC2)cc1OC ZINC000536180545 504658837 /nfs/dbraw/zinc/65/88/37/504658837.db2.gz ZSEFBJPDGQJGTP-GOSISDBHSA-N 2 0 350.503 3.075 20 0 FGADRP C[C@H](CC[NH+](C)C)[NH2+][C@@H](C)CC(=O)Nc1cccc(Br)c1 ZINC000532491560 504669561 /nfs/dbraw/zinc/66/95/61/504669561.db2.gz HXELLUNQQVQKEI-OLZOCXBDSA-N 2 0 356.308 3.096 20 0 FGADRP C[C@@H]([NH2+]Cc1cnn(CC(F)(F)F)c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000532538705 504686618 /nfs/dbraw/zinc/68/66/18/504686618.db2.gz AARJLJBQMSWPMN-CQSZACIVSA-N 2 0 370.419 3.237 20 0 FGADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000521309788 504706408 /nfs/dbraw/zinc/70/64/08/504706408.db2.gz WJRZMLFLKCEKSG-HXUWFJFHSA-N 2 0 364.578 3.301 20 0 FGADRP CN(CC[N@H+](C)C1CC1)C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)CC1(C)C ZINC000549206547 504723472 /nfs/dbraw/zinc/72/34/72/504723472.db2.gz KEOMSXLHOABBHM-HXUWFJFHSA-N 2 0 372.557 3.023 20 0 FGADRP Cc1ccc(-c2nc(C[NH+]3CCC([C@@H]4C[C@@H]([NH3+])CCO4)CC3)co2)cc1 ZINC000521406464 504727921 /nfs/dbraw/zinc/72/79/21/504727921.db2.gz FRURQDGTNXJITL-ICSRJNTNSA-N 2 0 355.482 3.368 20 0 FGADRP CC(C)c1ccc([C@H]([NH3+])CNC(=O)N2CCCC[C@H]2[C@H]2CCC[NH2+]C2)cc1 ZINC000521411456 504730613 /nfs/dbraw/zinc/73/06/13/504730613.db2.gz DWTJBTAODHMKOC-HBMCJLEFSA-N 2 0 372.557 3.374 20 0 FGADRP CC[NH+](CC)Cc1cccc(CNC(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)c1 ZINC000521509601 504750318 /nfs/dbraw/zinc/75/03/18/504750318.db2.gz PONBAFSPGVABDD-LJQANCHMSA-N 2 0 374.573 3.448 20 0 FGADRP FC1(F)Oc2cccc(CC[NH2+]C3CCN(c4cc[nH+]cc4)CC3)c2O1 ZINC000529640179 504750376 /nfs/dbraw/zinc/75/03/76/504750376.db2.gz BQOCHCDPCXEDEM-UHFFFAOYSA-N 2 0 361.392 3.204 20 0 FGADRP CC1CCC([N@H+](C)CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000532899285 504772244 /nfs/dbraw/zinc/77/22/44/504772244.db2.gz WKKVMEZVPRCSCX-UHFFFAOYSA-N 2 0 357.542 3.409 20 0 FGADRP CC[NH+](CC)Cc1ccc(CNC(=O)[C@H]2C[NH2+]Cc3ccccc32)cc1 ZINC000556112931 504799339 /nfs/dbraw/zinc/79/93/39/504799339.db2.gz VSZAOJVWBBLEPY-NRFANRHFSA-N 2 0 351.494 3.032 20 0 FGADRP COc1cccc([C@H](CNC(=O)CC[N@@H+]2CCCC[C@@H]2C)[NH+]2CCCC2)c1 ZINC000559260740 504811888 /nfs/dbraw/zinc/81/18/88/504811888.db2.gz APMAIRCJLTYXPB-RXVVDRJESA-N 2 0 373.541 3.213 20 0 FGADRP COc1ccccc1[C@@H](CNC(=O)CC[N@@H+]1CCCC[C@H]1C)[NH+]1CCCC1 ZINC000559261218 504812607 /nfs/dbraw/zinc/81/26/07/504812607.db2.gz LBINZIZOJDNPIU-UYAOXDASSA-N 2 0 373.541 3.213 20 0 FGADRP Cc1nocc1C[NH2+]CCc1ccc(OCC[N@H+]2C[C@H](C)[C@H](C)C2)cc1 ZINC000559294010 504822565 /nfs/dbraw/zinc/82/25/65/504822565.db2.gz ABRNNPXOELHNMB-CALCHBBNSA-N 2 0 357.498 3.282 20 0 FGADRP C[C@@H]1C[C@H]([NH2+]CCCN2CCN(c3cccc(Cl)c3)CC2)C[C@H](C)O1 ZINC000562519012 504844383 /nfs/dbraw/zinc/84/43/83/504844383.db2.gz WIKZXMNPBBUEIL-DZFIZOCASA-N 2 0 365.949 3.398 20 0 FGADRP CC[C@@H](C)[C@@H]([NH2+]Cc1cncn1C)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000556326027 504845275 /nfs/dbraw/zinc/84/52/75/504845275.db2.gz BJZFWHVSWWFDKN-OXQOHEQNSA-N 2 0 369.513 3.163 20 0 FGADRP C[C@@H]1CCc2ccccc2[C@H]1[NH2+]C[C@@H](O)CN1CCc2ccccc2C1 ZINC000553305104 504877942 /nfs/dbraw/zinc/87/79/42/504877942.db2.gz JQFROKOZRODBOB-OAOOKAIFSA-N 2 0 350.506 3.319 20 0 FGADRP Clc1cccc(OCC[NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)c1Cl ZINC000565416070 504880649 /nfs/dbraw/zinc/88/06/49/504880649.db2.gz QMCYWERWXQVOST-BPLDGKMQSA-N 2 0 359.297 3.119 20 0 FGADRP C[NH+](C)CCOc1cccc(CNC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)c1 ZINC000549774783 504894686 /nfs/dbraw/zinc/89/46/86/504894686.db2.gz NEABJQALKDALKC-OAQYLSRUSA-N 2 0 373.541 3.040 20 0 FGADRP c1ccc2c(c1)O[C@@]1(CC[NH2+]C1)C[C@@H]2[NH2+]C1(c2ccc3c(c2)OCO3)CC1 ZINC000565533632 504915274 /nfs/dbraw/zinc/91/52/74/504915274.db2.gz FPMKWESFTYRWJV-UWJYYQICSA-N 2 0 364.445 3.250 20 0 FGADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+]C[C@H](O)COc2ccc3ccccc3c2)C1 ZINC000565536208 504915697 /nfs/dbraw/zinc/91/56/97/504915697.db2.gz YCQXNADRLBJLEZ-NQIIRXRSSA-N 2 0 356.510 3.290 20 0 FGADRP C[C@H]1CN(C(=O)[C@H]2CCC[NH+](Cc3ccccc3)C2)CC[N@@H+](C2CCC2)C1 ZINC000553525478 504940006 /nfs/dbraw/zinc/94/00/06/504940006.db2.gz BGTOQGNRGHJXFN-CTNGQTDRSA-N 2 0 369.553 3.231 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000565683845 504957313 /nfs/dbraw/zinc/95/73/13/504957313.db2.gz ONXZIDZQPVDZGH-RXVVDRJESA-N 2 0 374.573 3.441 20 0 FGADRP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)Nc2cccc3c2CC[NH2+]C3)C1 ZINC000565705083 504964147 /nfs/dbraw/zinc/96/41/47/504964147.db2.gz FULKMLNGRYOQQU-ROUUACIJSA-N 2 0 370.541 3.451 20 0 FGADRP CC[C@H](C(=O)N1CC[NH+](C2CCC2)C[C@H](C)C1)[N@H+](C)Cc1ccccc1 ZINC000565733671 504971909 /nfs/dbraw/zinc/97/19/09/504971909.db2.gz INOOTSYYRZSQQK-GHTZIAJQSA-N 2 0 357.542 3.230 20 0 FGADRP COc1ccc(C[NH+]2CCC(C[NH+](C)C)CC2)c(Br)c1OC ZINC000560046947 504978599 /nfs/dbraw/zinc/97/85/99/504978599.db2.gz KHJPARIXNHMHMK-UHFFFAOYSA-N 2 0 371.319 3.240 20 0 FGADRP C[N@@H+]1CC[C@H]([NH2+]C2CCN(Cc3ccc(F)c(F)c3)CC2)[C@H]2CCC[C@H]21 ZINC000556862782 504998891 /nfs/dbraw/zinc/99/88/91/504998891.db2.gz ALSVUGNJYWYESK-JRGCBEDISA-N 2 0 363.496 3.392 20 0 FGADRP O[C@H](C[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)COc1ccc(-c2ccccc2)cc1 ZINC000562987326 505010590 /nfs/dbraw/zinc/01/05/90/505010590.db2.gz GTMBCVTXSZYRSR-XMSQKQJNSA-N 2 0 366.505 3.167 20 0 FGADRP CCC[NH+]1CCC(C[NH2+]C[C@H](O)CO[C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000565887532 505017422 /nfs/dbraw/zinc/01/74/22/505017422.db2.gz UPXRHGUUTMYYEZ-JXFKEZNVSA-N 2 0 368.949 3.490 20 0 FGADRP CC(C)[C@]1(CO)CCC[N@H+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)C1 ZINC000556958337 505030273 /nfs/dbraw/zinc/03/02/73/505030273.db2.gz CYUSTIHVCAVFPV-HSZRJFAPSA-N 2 0 373.585 3.448 20 0 FGADRP C[C@@H]1C[C@H](C[N@@H+]2CCC[C@H](CNC(=O)Nc3cccc(F)c3)C2)CC[NH2+]1 ZINC000565939071 505032673 /nfs/dbraw/zinc/03/26/73/505032673.db2.gz JHTZTFTZKBKRBG-BRWVUGGUSA-N 2 0 362.493 3.047 20 0 FGADRP O[C@H](C[NH2+]C1CC[NH+](C2CCC2)CC1)Cc1ccc(C(F)(F)F)cc1 ZINC000565946628 505035349 /nfs/dbraw/zinc/03/53/49/505035349.db2.gz ZULIXPUTDRKPCR-SFHVURJKSA-N 2 0 356.432 3.215 20 0 FGADRP FC(F)(F)CN1CC[C@H]([NH2+][C@H]2CCN(Cc3ccccc3)C3(CC3)C2)C1 ZINC000563120112 505052845 /nfs/dbraw/zinc/05/28/45/505052845.db2.gz RVGBHRWABMLBSN-ROUUACIJSA-N 2 0 367.459 3.410 20 0 FGADRP O=C(NCc1ccccc1C[NH+]1CCCCC1)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000553975134 505058432 /nfs/dbraw/zinc/05/84/32/505058432.db2.gz YCFANYNJZIFPAJ-UIFIKXQLSA-N 2 0 355.526 3.209 20 0 FGADRP CCC[NH+]1CCC([NH2+][C@H]2CCN(c3cccc(Br)c3)C2)CC1 ZINC000553985683 505060941 /nfs/dbraw/zinc/06/09/41/505060941.db2.gz DYCUGUWHSBXGCZ-KRWDZBQOSA-N 2 0 366.347 3.492 20 0 FGADRP C[C@@H]([NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1)c1ccc2c(c1)COC2 ZINC000566092420 505078242 /nfs/dbraw/zinc/07/82/42/505078242.db2.gz LGXMKHKCLGLUMM-GOSISDBHSA-N 2 0 365.521 3.361 20 0 FGADRP Cc1ccc2cc([C@H](C)[NH2+][C@@H]3CCC(=O)N[C@H]3C3CC[NH2+]CC3)oc2c1 ZINC000566092469 505078483 /nfs/dbraw/zinc/07/84/83/505078483.db2.gz UCKSLWSVIJTJOU-OXTHUFEASA-N 2 0 355.482 3.039 20 0 FGADRP Cc1cccc(OC[C@H](O)C[NH2+]C2CCC([NH+]3CCC(C)CC3)CC2)c1 ZINC000566116361 505086491 /nfs/dbraw/zinc/08/64/91/505086491.db2.gz OXOTXXNFDXCXET-XVAXZDLZSA-N 2 0 360.542 3.367 20 0 FGADRP [NH3+][C@H](CC1CCCCC1)C(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000566170685 505103191 /nfs/dbraw/zinc/10/31/91/505103191.db2.gz XQAFFPDYISTHGT-IEBWSBKVSA-N 2 0 363.571 3.374 20 0 FGADRP FC(F)Cn1cc(CN2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)cn1 ZINC000560533578 505117145 /nfs/dbraw/zinc/11/71/45/505117145.db2.gz QQQHLJSBYNUBDZ-RTBURBONSA-N 2 0 360.452 3.102 20 0 FGADRP C[C@H](NC(=O)[C@H](C)[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)c1ccc(Cl)cc1 ZINC000566245801 505122474 /nfs/dbraw/zinc/12/24/74/505122474.db2.gz SYWHPNPFUXIMCW-ONIAQPFYSA-N 2 0 363.933 3.227 20 0 FGADRP Cc1ccccc1[C@@H](CC(C)C)[NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000557484132 505147206 /nfs/dbraw/zinc/14/72/06/505147206.db2.gz ALMCKIQHINSDBO-OAQYLSRUSA-N 2 0 357.542 3.415 20 0 FGADRP CN1CCN(C(=O)Nc2ccc(Cl)cc2-c2ccccc2)[C@H](C[NH3+])C1 ZINC000563485513 505153420 /nfs/dbraw/zinc/15/34/20/505153420.db2.gz XGQXNPTXLLFDPL-MRXNPFEDSA-N 2 0 358.873 3.114 20 0 FGADRP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000566383047 505160309 /nfs/dbraw/zinc/16/03/09/505160309.db2.gz FTCFGYCTFMQLOD-GOSISDBHSA-N 2 0 360.546 3.200 20 0 FGADRP CC(C)[N@@H+](C)C[C@H](C)NC(=O)NCc1ccccc1C[NH+]1CCC[C@@H](C)C1 ZINC000557548675 505164324 /nfs/dbraw/zinc/16/43/24/505164324.db2.gz RFIYUJUZBVJXBR-MOPGFXCFSA-N 2 0 374.573 3.446 20 0 FGADRP CCCN(CC[NH+]1CCCC1)C(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000557582249 505174258 /nfs/dbraw/zinc/17/42/58/505174258.db2.gz OVLKAEZCAFCGPI-UHFFFAOYSA-N 2 0 357.542 3.233 20 0 FGADRP CC(C)Cc1ccc([C@H](CNC(=O)NC[C@H]2CCC[N@H+](C)C2)[NH+](C)C)cc1 ZINC000554550049 505204599 /nfs/dbraw/zinc/20/45/99/505204599.db2.gz ATFMPNFADVHJFT-CTNGQTDRSA-N 2 0 374.573 3.129 20 0 FGADRP C[C@@H]1C[C@H](NC(=O)NCc2ccccc2C[N@H+](C)C2CCCCC2)CC[NH2+]1 ZINC000563690897 505213147 /nfs/dbraw/zinc/21/31/47/505213147.db2.gz DQMUFXKAYSJGQZ-YLJYHZDGSA-N 2 0 372.557 3.391 20 0 FGADRP COC(=O)c1ccc(-c2nc(CN(C)C3CC[NH+](C(C)C)CC3)co2)cc1 ZINC000554647266 505231867 /nfs/dbraw/zinc/23/18/67/505231867.db2.gz SAWZUSUKQPDHFD-UHFFFAOYSA-N 2 0 371.481 3.433 20 0 FGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]Cc2cncc(OC)c2)CC1 ZINC000563767039 505232783 /nfs/dbraw/zinc/23/27/83/505232783.db2.gz ULPHZHKMZOZCEQ-MRXNPFEDSA-N 2 0 372.488 3.222 20 0 FGADRP O=C(Nc1ccc2c(c1F)CC[NH2+]C2)NC1CC[NH+](CC2CCCC2)CC1 ZINC000561052054 505237943 /nfs/dbraw/zinc/23/79/43/505237943.db2.gz AOZPIDWPMBFBDX-UHFFFAOYSA-N 2 0 374.504 3.248 20 0 FGADRP C[C@@H]1CN(C(=O)NCc2ccccc2C[N@H+](C)C2CCCCC2)CC[C@H]1[NH3+] ZINC000561131303 505258842 /nfs/dbraw/zinc/25/88/42/505258842.db2.gz BEWQAFFYNHJNQO-DYESRHJHSA-N 2 0 372.557 3.330 20 0 FGADRP COC(=O)c1cc(C[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H](C)C2)cn1C ZINC000554858689 505283076 /nfs/dbraw/zinc/28/30/76/505283076.db2.gz UJEBBXGJOFKHBN-QGZVFWFLSA-N 2 0 369.509 3.333 20 0 FGADRP COc1ccc([C@H](C[NH3+])C[N@@H+]2CCC[C@H](c3ncc4n3CCCC4)C2)cc1 ZINC000561279260 505301893 /nfs/dbraw/zinc/30/18/93/505301893.db2.gz NANSNWHYMWPCKG-RBUKOAKNSA-N 2 0 368.525 3.150 20 0 FGADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)c2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000555011024 505327925 /nfs/dbraw/zinc/32/79/25/505327925.db2.gz JZANIHXVQNWKJO-HXUWFJFHSA-N 2 0 357.542 3.380 20 0 FGADRP CC[C@@H]([NH2+]Cc1cncc(C[NH2+][C@@H](CC)[C@@H]2CCCO2)c1)[C@@H]1CCCO1 ZINC000564168763 505343730 /nfs/dbraw/zinc/34/37/30/505343730.db2.gz QVXHLEVGJADCFH-WOZUAGRISA-N 2 0 361.530 3.176 20 0 FGADRP COc1ccc(C[NH+]2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)cc1OC(F)F ZINC000567093960 505361690 /nfs/dbraw/zinc/36/16/90/505361690.db2.gz WOMWNCLMGRVEHF-QAPCUYQASA-N 2 0 370.440 3.015 20 0 FGADRP CC[C@@H]1C[C@@H](C[NH+]2CCN([C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)CCO1 ZINC000567147730 505376961 /nfs/dbraw/zinc/37/69/61/505376961.db2.gz YPMGXXYPLAVZOH-RJGXRXQPSA-N 2 0 371.569 3.084 20 0 FGADRP O=C(Nc1ccc(CC[NH+]2CCCCC2)cc1)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000564426192 505416101 /nfs/dbraw/zinc/41/61/01/505416101.db2.gz IOWIYERPPHVONY-QFIPXVFZSA-N 2 0 370.541 3.322 20 0 FGADRP COc1nc(C)cc(C)c1C[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000561857661 505452453 /nfs/dbraw/zinc/45/24/53/505452453.db2.gz XATOENZHWWSTLL-UHFFFAOYSA-N 2 0 361.530 3.031 20 0 FGADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000567452938 505468283 /nfs/dbraw/zinc/46/82/83/505468283.db2.gz BCTCMNVWFCMWDC-HRAATJIYSA-N 2 0 364.493 3.322 20 0 FGADRP C[C@H](C(=O)N1CCC[C@@H]1c1cccs1)N1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000555598412 505468846 /nfs/dbraw/zinc/46/88/46/505468846.db2.gz SLEMGQSMDIKFSO-HLIPFELVSA-N 2 0 361.555 3.218 20 0 FGADRP CC[C@H](NC(=O)CN1CC[C@@]2(C1)CCC[N@H+](C)C2)c1ccc(Cl)cc1 ZINC000555598500 505469029 /nfs/dbraw/zinc/46/90/29/505469029.db2.gz WCSDLSASDVHYAX-ICSRJNTNSA-N 2 0 363.933 3.325 20 0 FGADRP Cn1cc(C[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c(-c2ccccc2)n1 ZINC000567645901 505523499 /nfs/dbraw/zinc/52/34/99/505523499.db2.gz IFIXPULZYBNHSX-NFBKMPQASA-N 2 0 374.488 3.433 20 0 FGADRP CCc1ccc([C@@H](CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)[NH+](CC)CC)cc1 ZINC000562181585 505534404 /nfs/dbraw/zinc/53/44/04/505534404.db2.gz SVOKZIUGJHFCBY-DZFGPLHGSA-N 2 0 359.558 3.478 20 0 FGADRP CC[N@H+](CCC1CCN(C(=O)[C@H]2CCCC[NH+]2CC)CC1)CC(C)C ZINC000552695117 505537309 /nfs/dbraw/zinc/53/73/09/505537309.db2.gz VUWQPUSFCWAMNB-HXUWFJFHSA-N 2 0 351.579 3.467 20 0 FGADRP C[C@@H](OC[C@H](O)C[NH2+]CC(C)(C)C[NH+]1CCCC1)c1ccc(Cl)cc1 ZINC000564864749 505543694 /nfs/dbraw/zinc/54/36/94/505543694.db2.gz SSTAENBSGZYMMM-VQIMIIECSA-N 2 0 368.949 3.490 20 0 FGADRP COc1cc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)c(-c2ccccc2)cc1OC ZINC000567870484 505569402 /nfs/dbraw/zinc/56/94/02/505569402.db2.gz DFDMABOFUSPJGB-PKOBYXMFSA-N 2 0 352.478 3.412 20 0 FGADRP CC[N@H+](C)[C@@H](C(=O)N1CC[C@@H]([NH+](C)Cc2ccccc2)C1)c1ccccc1 ZINC000608165573 506448816 /nfs/dbraw/zinc/44/88/16/506448816.db2.gz RPSVLQUXZLDYIK-FGZHOGPDSA-N 2 0 365.521 3.412 20 0 FGADRP CC(C)[C@H](C(=O)Nc1ccc(OCCC[NH+](C)C)cc1)[NH+]1CCCCC1 ZINC000593265474 506502157 /nfs/dbraw/zinc/50/21/57/506502157.db2.gz SARJZENVWVVUQO-HXUWFJFHSA-N 2 0 361.530 3.466 20 0 FGADRP CCOC(=O)C1([C@@H](C)[NH2+][C@H](CC)Cc2ccc(F)cc2)CC[NH2+]CC1 ZINC000596650231 506509555 /nfs/dbraw/zinc/50/95/55/506509555.db2.gz KBAXBOHDJJOBFC-CRAIPNDOSA-N 2 0 350.478 3.058 20 0 FGADRP C[NH+](C)CC[C@@H](NC(=O)N1CC[C@H]([N@H+](C)Cc2ccccc2)C1)C(C)(C)C ZINC000608688415 506665962 /nfs/dbraw/zinc/66/59/62/506665962.db2.gz IZSXOWCBIOPRFL-VQTJNVASSA-N 2 0 374.573 3.269 20 0 FGADRP CCC[NH+]1CCC(NC(=O)N[C@@H](C[NH+]2CCCCC2)c2ccccc2)CC1 ZINC000608685396 506666193 /nfs/dbraw/zinc/66/61/93/506666193.db2.gz QDMJKRSEWIFMEK-NRFANRHFSA-N 2 0 372.557 3.387 20 0 FGADRP C[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCCCC[NH2+]2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000583264274 506684930 /nfs/dbraw/zinc/68/49/30/506684930.db2.gz HCXDXBZPMPSFPJ-ZTFGCOKTSA-N 2 0 367.896 3.120 20 0 FGADRP C[C@@H](OC[C@H](O)C[NH2+]CCC1CC[NH+](C)CC1)c1ccc(Cl)cc1 ZINC000583317664 506714446 /nfs/dbraw/zinc/71/44/46/506714446.db2.gz SCODPUYJLMZKLK-DNVCBOLYSA-N 2 0 354.922 3.100 20 0 FGADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NC[C@@H]1CCC[NH+]1Cc1ccccc1 ZINC000604107050 506715801 /nfs/dbraw/zinc/71/58/01/506715801.db2.gz YQHKZYVYPMVJTC-DYXWJJEUSA-N 2 0 372.557 3.071 20 0 FGADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N[C@H](C)C[NH+](C)Cc2ccccc2)C1 ZINC000583343846 506728224 /nfs/dbraw/zinc/72/82/24/506728224.db2.gz MFYJMPGLYPTWKX-TZIWHRDSSA-N 2 0 374.573 3.174 20 0 FGADRP C[C@@H](C(=O)NCC(C)(C)C[NH+](C)C)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000599973450 506732167 /nfs/dbraw/zinc/73/21/67/506732167.db2.gz HGUDSWOGMCLYIY-SFHVURJKSA-N 2 0 359.558 3.034 20 0 FGADRP CC1CC[NH+](CCNC(=O)N[C@@H](C[NH+]2CCCCC2)c2ccccc2)CC1 ZINC000604170938 506734642 /nfs/dbraw/zinc/73/46/42/506734642.db2.gz HHAPPEOCMHVFDI-NRFANRHFSA-N 2 0 372.557 3.245 20 0 FGADRP CN(C(=O)N[C@H](C[NH+]1CCCCC1)c1ccccc1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000604201705 506748579 /nfs/dbraw/zinc/74/85/79/506748579.db2.gz GYKGJFXZJVCLIK-LEWJYISDSA-N 2 0 370.541 3.092 20 0 FGADRP COC(=O)c1cc2cc(C[N@@H+]3CCCC[C@@H]3[C@H]3C[C@@H]([NH3+])CCO3)ccc2o1 ZINC000593730152 506751862 /nfs/dbraw/zinc/75/18/62/506751862.db2.gz KVQLZCCGLNVTDN-YQVWRLOYSA-N 2 0 372.465 3.080 20 0 FGADRP COC(=O)c1oc(CNC[C@H]2CC[N@H+](CCc3ccccc3)C2)cc1C ZINC000597054882 506752702 /nfs/dbraw/zinc/75/27/02/506752702.db2.gz WJIPIXZOBCSEKL-GOSISDBHSA-N 2 0 356.466 3.029 20 0 FGADRP COC(=O)c1ccc(C[NH2+]CC2CC[NH+](CCC(C)C)CC2)cc1F ZINC000597061663 506757276 /nfs/dbraw/zinc/75/72/76/506757276.db2.gz WIENGNBNWBMYPM-UHFFFAOYSA-N 2 0 350.478 3.460 20 0 FGADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CC[C@H](C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000600197589 506837687 /nfs/dbraw/zinc/83/76/87/506837687.db2.gz SABUGFIMPWVXFZ-BEFAXECRSA-N 2 0 370.497 3.375 20 0 FGADRP CC[N@H+](CCNC(=O)NC[C@@H]1CCC[NH+]1CC1CCCCC1)C(C)C ZINC000597216973 506841660 /nfs/dbraw/zinc/84/16/60/506841660.db2.gz XRZVFEUKGSBDSZ-IBGZPJMESA-N 2 0 352.567 3.061 20 0 FGADRP C[C@H]([NH2+]C1(CNC(=O)N[C@H]2CC23CC[NH2+]CC3)CCCC1)c1ccccc1 ZINC000612970743 506845347 /nfs/dbraw/zinc/84/53/47/506845347.db2.gz KLHYJERVCBOTQF-HKUYNNGSSA-N 2 0 370.541 3.091 20 0 FGADRP COC(=O)[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1[NH2+]C1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000597247304 506859083 /nfs/dbraw/zinc/85/90/83/506859083.db2.gz GVTVRYHHDPRAOU-CRDRRFEFSA-N 2 0 370.537 3.259 20 0 FGADRP C[NH+](C)CCCN(CCC[NH+](C)C)Cc1csc(Br)c1 ZINC000583720203 506932670 /nfs/dbraw/zinc/93/26/70/506932670.db2.gz WZFAWGHAGDGKJQ-UHFFFAOYSA-N 2 0 362.381 3.216 20 0 FGADRP Cc1cccn2cc(COc3ccc(C[NH2+][C@H](C)C[C@@H](C)[NH3+])cc3)nc12 ZINC000583752953 506953033 /nfs/dbraw/zinc/95/30/33/506953033.db2.gz IWIGCGFGOVPCCV-IAGOWNOFSA-N 2 0 352.482 3.437 20 0 FGADRP C[NH+](C)[C@@H](CNC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1)c1ccsc1 ZINC000594288794 507064553 /nfs/dbraw/zinc/06/45/53/507064553.db2.gz UWGKJDBKHFMRFS-MSOLQXFVSA-N 2 0 364.559 3.011 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)N(C)C1CC[NH+](C)CC1 ZINC000591063954 507096674 /nfs/dbraw/zinc/09/66/74/507096674.db2.gz PINWEHWMZMFSPW-GOSISDBHSA-N 2 0 373.541 3.106 20 0 FGADRP C[C@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)N(C)C1CC[NH+](C)CC1 ZINC000591063955 507097526 /nfs/dbraw/zinc/09/75/26/507097526.db2.gz PINWEHWMZMFSPW-SFHVURJKSA-N 2 0 373.541 3.106 20 0 FGADRP CC[N@@H+]1CCCC[C@H]1C(=O)NCc1ccc(C[NH+]2CCC[C@H](C)C2)cc1 ZINC000591096438 507114303 /nfs/dbraw/zinc/11/43/03/507114303.db2.gz NZQAZQCNBDJWKE-RXVVDRJESA-N 2 0 357.542 3.409 20 0 FGADRP C[C@@H](c1ccccc1)[C@H](O)C[NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000584227952 507225592 /nfs/dbraw/zinc/22/55/92/507225592.db2.gz UKLSGWGJSFBWGA-FDDCHVKYSA-N 2 0 368.521 3.414 20 0 FGADRP C[C@@H](CNC(=O)c1ccccc1OCC[N@@H+]1CCCC[C@@H]1C)[NH+](C)C1CC1 ZINC000591456243 507257442 /nfs/dbraw/zinc/25/74/42/507257442.db2.gz HFAOZPCVWRWKQF-ROUUACIJSA-N 2 0 373.541 3.152 20 0 FGADRP C[C@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)N(C)CC[NH+]1CCCC1 ZINC000591457603 507258908 /nfs/dbraw/zinc/25/89/08/507258908.db2.gz BBEWITHXYAMQNI-IBGZPJMESA-N 2 0 373.541 3.108 20 0 FGADRP COc1ccc(C[NH2+]Cc2cccc(OCC[NH+](C)C)c2)c(C)c1OC ZINC000584313958 507273657 /nfs/dbraw/zinc/27/36/57/507273657.db2.gz MYQLRYDLMRSYSC-UHFFFAOYSA-N 2 0 358.482 3.242 20 0 FGADRP CC(C)C[N@@H+]1CC[C@H](C[NH2+]C[C@@H](O)Cc2ccc(C(F)(F)F)cc2)C1 ZINC000584346151 507293187 /nfs/dbraw/zinc/29/31/87/507293187.db2.gz UTDHIHFHKLDYMQ-AEFFLSMTSA-N 2 0 358.448 3.176 20 0 FGADRP CSC1(C[NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3C)CC2)CC[NH+](C)CC1 ZINC000584380630 507312238 /nfs/dbraw/zinc/31/22/38/507312238.db2.gz MELCBCFPJQHGKF-HKUYNNGSSA-N 3 0 353.620 3.447 20 0 FGADRP Cc1ccc([C@@H](CNC(=O)N2CCC[C@@H]([NH2+]C(C)C)C2)[NH+]2CCCC2)cc1 ZINC000601290608 507325219 /nfs/dbraw/zinc/32/52/19/507325219.db2.gz UESRKGUQGQTJBV-NHCUHLMSSA-N 2 0 372.557 3.304 20 0 FGADRP CC(C)c1ccc(CCNC(=O)CN2CCC[C@@H]([NH+]3CCCC3)CC2)cc1 ZINC000606447948 507408251 /nfs/dbraw/zinc/40/82/51/507408251.db2.gz WWTXSOZSHUVRHZ-JOCHJYFZSA-N 2 0 371.569 3.419 20 0 FGADRP CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)[C@@H]1CCCC[C@]1(C)[NH3+] ZINC000584617430 507432737 /nfs/dbraw/zinc/43/27/37/507432737.db2.gz UCTSRYYMIGWNSM-FPOVZHCZSA-N 2 0 358.530 3.054 20 0 FGADRP O=C1C[C@H]([NH2+][C@@H]2CCCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CN1C1CC1 ZINC000584670686 507441409 /nfs/dbraw/zinc/44/14/09/507441409.db2.gz LSZDVFLECWJYKW-BLKABHOGSA-N 2 0 367.537 3.030 20 0 FGADRP C[C@H](NC(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1)C1CC[NH+](C)CC1 ZINC000606703613 507488002 /nfs/dbraw/zinc/48/80/02/507488002.db2.gz YBKAJQJVAHYSSQ-GBESFXJTSA-N 2 0 364.578 3.013 20 0 FGADRP Cc1oc(-c2cccs2)nc1C[NH+]1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000584771684 507495575 /nfs/dbraw/zinc/49/55/75/507495575.db2.gz XPTFKEFZMSUUMN-WBVHZDCISA-N 2 0 361.511 3.430 20 0 FGADRP [NH3+]CCC1CC[NH+]([C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)CC1 ZINC000584785870 507504552 /nfs/dbraw/zinc/50/45/52/507504552.db2.gz RNVBRLZERWUMRF-MRXNPFEDSA-N 2 0 356.297 3.160 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1ccc(F)c2cccnc12 ZINC000584787856 507504732 /nfs/dbraw/zinc/50/47/32/507504732.db2.gz SEBMUUJIXHPFOR-GOSISDBHSA-N 2 0 358.505 3.222 20 0 FGADRP C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)[C@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000614836529 507670361 /nfs/dbraw/zinc/67/03/61/507670361.db2.gz VQHSGBKTGYVAST-BAGYTPMASA-N 2 0 369.553 3.026 20 0 FGADRP COc1cc(C)c([C@@H](C)[N@@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)cc1C ZINC000614962524 507706136 /nfs/dbraw/zinc/70/61/36/507706136.db2.gz LFJZBVNEBXJYQW-UXHICEINSA-N 2 0 359.558 3.473 20 0 FGADRP c1ccc2nc(NCC[NH2+][C@@H]3C[C@]4(CC[NH2+]C4)Oc4ccccc43)ccc2c1 ZINC000521225893 517657369 /nfs/dbraw/zinc/65/73/69/517657369.db2.gz HMEMNGQTCXHWIK-OFNKIYASSA-N 2 0 374.488 3.492 20 0 FGADRP CC(C)[N@H+](C)Cc1ccccc1C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC000820112556 606408517 /nfs/dbraw/zinc/40/85/17/606408517.db2.gz YERVOLYDPFQQHO-UHFFFAOYSA-N 2 0 356.499 3.058 20 0 FGADRP C[C@H]1CCCC[N@@H+]1CCC[NH2+][C@H]1CCCc2cc(-c3nn[nH]n3)ccc21 ZINC000824936015 608496877 /nfs/dbraw/zinc/49/68/77/608496877.db2.gz DMHRKGMDXZNHSU-KXBFYZLASA-N 2 0 354.502 3.098 20 0 FGADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCCc3cc(-c4nn[nH]n4)ccc32)C1 ZINC000824261873 608524262 /nfs/dbraw/zinc/52/42/62/608524262.db2.gz SNQSQFNPCKPVJM-OXQOHEQNSA-N 2 0 368.529 3.202 20 0 FGADRP C[C@@H]([NH2+][C@@H](C)c1ccc(-c2nn[nH]n2)cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000824530624 609350612 /nfs/dbraw/zinc/35/06/12/609350612.db2.gz MINBKFWLNUCBDE-HDMKZQKVSA-N 2 0 354.502 3.170 20 0 FGADRP CC[NH+]1CCC(NC(=O)C[N@H+](Cc2cccc(Cl)c2)C(C)C)CC1 ZINC000047959107 695871465 /nfs/dbraw/zinc/87/14/65/695871465.db2.gz GTKQXUSLPSQLHB-UHFFFAOYSA-N 2 0 351.922 3.151 20 0 FGADRP Cc1ncsc1C[NH2+]Cc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000092855833 700442081 /nfs/dbraw/zinc/44/20/81/700442081.db2.gz VPEVHNMLERVYIX-UHFFFAOYSA-N 2 0 356.539 3.273 20 0 FGADRP C[N@H+](CC[C@@H]1CCC[NH+]1C)C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000131600668 700817226 /nfs/dbraw/zinc/81/72/26/700817226.db2.gz SCAOXGLYWPZILN-XNHLSEOASA-N 2 0 351.535 3.333 20 0 FGADRP CCC[NH+]1CCC(C[NH2+]CC2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000132788649 700831220 /nfs/dbraw/zinc/83/12/20/700831220.db2.gz ISGPMOZVOHASPI-UHFFFAOYSA-N 2 0 353.551 3.345 20 0 FGADRP CCC[NH+]1CCC([NH2+]CC2(C)CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000157161091 705145629 /nfs/dbraw/zinc/14/56/29/705145629.db2.gz LFXLLSMYYBDSJH-UHFFFAOYSA-N 2 0 353.551 3.488 20 0 FGADRP C[C@@H](CC(=O)Nc1cccnc1Cl)[NH2+]CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000158642515 705193433 /nfs/dbraw/zinc/19/34/33/705193433.db2.gz KFGXMGBPUXURKB-XHSDSOJGSA-N 2 0 366.937 3.410 20 0 FGADRP Cc1cc(Cl)cc(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)c1O ZINC000180508907 705744513 /nfs/dbraw/zinc/74/45/13/705744513.db2.gz NMLSBSIONDQMKR-UHFFFAOYSA-N 2 0 352.906 3.431 20 0 FGADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H](C)c1ccc(Br)cc1O ZINC000185671466 712699543 /nfs/dbraw/zinc/69/95/43/712699543.db2.gz KLBZQWPYANTPRT-TZMCWYRMSA-N 2 0 359.308 3.162 20 0 FGADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)[C@@H](C)C1 ZINC000245420312 713605021 /nfs/dbraw/zinc/60/50/21/713605021.db2.gz HMENNNJJZLMANN-KSZLIROESA-N 2 0 353.551 3.296 20 0 FGADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@H]2CCC[C@H]2NC(=O)OC(C)(C)C)C1 ZINC000245885006 713613197 /nfs/dbraw/zinc/61/31/97/713613197.db2.gz OKBWXXQWXXOKFG-FGTMMUONSA-N 2 0 353.551 3.390 20 0 FGADRP Cc1cnc(CC[NH+](C)C/C=C\C[N@H+](C)CCc2ncc(C)s2)s1 ZINC000255872461 713708747 /nfs/dbraw/zinc/70/87/47/713708747.db2.gz MVHBEZSRAPAWAD-WAYWQWQTSA-N 2 0 364.584 3.421 20 0 FGADRP CC[NH+]1CCC(C[NH2+][C@H](C)C[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC000310511927 713799283 /nfs/dbraw/zinc/79/92/83/713799283.db2.gz OPNJJXTZVCCOEL-AEFFLSMTSA-N 2 0 353.551 3.486 20 0 FGADRP CCC[NH+]1CCC([NH2+]C[C@@]2(C)CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000378954133 713975281 /nfs/dbraw/zinc/97/52/81/713975281.db2.gz RQZLTKWWTHCRSP-HXUWFJFHSA-N 2 0 353.551 3.488 20 0 FGADRP CC(C)(C)OC(=O)N1CCC[C@](C)(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000385979340 713984261 /nfs/dbraw/zinc/98/42/61/713984261.db2.gz NWBRRJIRQYMPMU-SQGPQFPESA-N 2 0 351.535 3.240 20 0 FGADRP C[C@H]([NH2+]C[C@H](O)COc1ccc(Cl)cc1Cl)C1CC[NH+](C)CC1 ZINC000396450858 713991401 /nfs/dbraw/zinc/99/14/01/713991401.db2.gz IWTXSDIHPOOAEU-WFASDCNBSA-N 2 0 361.313 3.053 20 0 FGADRP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@@H]2CCCC(F)(F)[C@H]2O)CC1 ZINC000414310186 714003956 /nfs/dbraw/zinc/00/39/56/714003956.db2.gz ZJOUTDHOHCTEJZ-LZQZEXGQSA-N 2 0 352.469 3.220 20 0 FGADRP Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000414911237 714005523 /nfs/dbraw/zinc/00/55/23/714005523.db2.gz DPYQIJDTDBARLL-HOTGVXAUSA-N 2 0 363.303 3.303 20 0 FGADRP CCOc1cc(C[NH2+][C@H]2CCC[C@H]([NH3+])C2)cc(Br)c1OC ZINC000414928564 714005742 /nfs/dbraw/zinc/00/57/42/714005742.db2.gz QFZOUBHHKGCUEG-STQMWFEESA-N 2 0 357.292 3.216 20 0 FGADRP C(CC[NH+]1CCC[C@@H]2COCC[C@@H]21)CC[N@@H+]1CCC[C@H]2COCC[C@@H]21 ZINC000464860419 714074803 /nfs/dbraw/zinc/07/48/03/714074803.db2.gz ZXGDYQIXNJBTQO-WOZUAGRISA-N 2 0 350.547 3.159 20 0 FGADRP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)N1CCC[NH+](C(C)(C)C)CC1 ZINC000521895117 714154685 /nfs/dbraw/zinc/15/46/85/714154685.db2.gz CHKQDVGNSZWGJY-SFHVURJKSA-N 2 0 352.567 3.157 20 0 FGADRP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)C1 ZINC000522603217 714194984 /nfs/dbraw/zinc/19/49/84/714194984.db2.gz PCAXNGVGJIGIRS-IRXDYDNUSA-N 2 0 354.583 3.163 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CCc1cc(Cl)cs1 ZINC000522956320 714213523 /nfs/dbraw/zinc/21/35/23/714213523.db2.gz WCLPMFQEZSPZNA-MRXNPFEDSA-N 2 0 371.978 3.209 20 0 FGADRP CCCC[NH+]1CCC(NC(=O)NCC(C)(C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000523202791 714222672 /nfs/dbraw/zinc/22/26/72/714222672.db2.gz ASNQXMWPOOYVRS-KRWDZBQOSA-N 2 0 352.567 3.061 20 0 FGADRP C[C@H]([NH2+][C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1)[C@H]1CCC[NH2+]C1 ZINC000575372963 714457513 /nfs/dbraw/zinc/45/75/13/714457513.db2.gz MQKJVSBCLXZURR-ZVZYQTTQSA-N 2 0 355.448 3.257 20 0 FGADRP CO[C@@H](C[NH2+]Cc1c(Cl)cccc1N1CC[NH+](C)CC1)C(C)(C)C ZINC000577639389 714466656 /nfs/dbraw/zinc/46/66/56/714466656.db2.gz MYKGTOHNTXNWCX-SFHVURJKSA-N 2 0 353.938 3.243 20 0 FGADRP Cc1[nH+]c2ccc(Br)cc2c(N2CCCO[C@@H](C[NH3+])C2)c1C ZINC000643052974 718003104 /nfs/dbraw/zinc/00/31/04/718003104.db2.gz HMVHKFMUTUDHGR-AWEZNQCLSA-N 2 0 364.287 3.168 20 0 FGADRP Cc1cc(C(=O)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)c(C)s1 ZINC000643606787 718040066 /nfs/dbraw/zinc/04/00/66/718040066.db2.gz SZWBDBVEPZFDDO-UHFFFAOYSA-N 2 0 357.523 3.088 20 0 FGADRP CC[NH+]1CCN(CCCC[NH2+]Cc2ccsc2Br)CC1 ZINC000623356800 715317670 /nfs/dbraw/zinc/31/76/70/715317670.db2.gz HZMYPSQJPPTGLS-UHFFFAOYSA-N 2 0 360.365 3.018 20 0 FGADRP C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]C[C@@H]1CCCC[N@H+](C)C1 ZINC000624120664 715477364 /nfs/dbraw/zinc/47/73/64/715477364.db2.gz DPCQKGXKXCDBMD-SJORKVTESA-N 2 0 365.949 3.399 20 0 FGADRP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+][C@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000779132023 724394078 /nfs/dbraw/zinc/39/40/78/724394078.db2.gz XCTANHWIWKUYQI-ROUUACIJSA-N 2 0 353.551 3.344 20 0 FGADRP CC(C)c1nn(-c2ccccc2)c(Cl)c1C[NH2+]CCOCC[NH+](C)C ZINC000779432307 724413158 /nfs/dbraw/zinc/41/31/58/724413158.db2.gz QYZDKAOLSPPXES-UHFFFAOYSA-N 2 0 364.921 3.317 20 0 FGADRP Cc1cc(C[N@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)ncc1Br ZINC000628280232 716134320 /nfs/dbraw/zinc/13/43/20/716134320.db2.gz WTIJFCYTIDQYHV-HNNXBMFYSA-N 2 0 352.320 3.316 20 0 FGADRP C[C@@H]1CC[N@H+](CC(=O)N[C@@H](C[NH+](C)C)c2ccc(Cl)c(Cl)c2)C1 ZINC000628969539 716194023 /nfs/dbraw/zinc/19/40/23/716194023.db2.gz ULAFLODURHVKCH-WBMJQRKESA-N 2 0 358.313 3.054 20 0 FGADRP CC[N@H+](CC(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1)C1CC1 ZINC000628969640 716194031 /nfs/dbraw/zinc/19/40/31/716194031.db2.gz WDQCCQAQEBHMJX-MRXNPFEDSA-N 2 0 358.313 3.197 20 0 FGADRP Clc1ccc(N2CCO[C@H](C[NH2+][C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000629523106 716303000 /nfs/dbraw/zinc/30/30/00/716303000.db2.gz KFUXUBZFNBYFAX-FUMNGEBKSA-N 2 0 363.933 3.056 20 0 FGADRP C[C@H]1CSc2ccc(Br)cc2[C@H]1[NH2+]CCOCCC[NH3+] ZINC000629536392 716304530 /nfs/dbraw/zinc/30/45/30/716304530.db2.gz GXMWSCJQPBGHMP-NHYWBVRUSA-N 2 0 359.333 3.187 20 0 FGADRP Fc1cc2[nH]cc(CC[NH2+][C@@H]3CCOC[C@@H]3[C@H]3CCC[NH2+]3)c2cc1Cl ZINC000629544774 716304856 /nfs/dbraw/zinc/30/48/56/716304856.db2.gz JIFBEWZTRDSMIC-ZTFGCOKTSA-N 2 0 365.880 3.250 20 0 FGADRP [NH3+]CCCOCC[NH2+]Cc1csc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000629681787 716335424 /nfs/dbraw/zinc/33/54/24/716335424.db2.gz UPKJHNJZBPAFCB-UHFFFAOYSA-N 2 0 359.417 3.284 20 0 FGADRP COc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000634734097 717111506 /nfs/dbraw/zinc/11/15/06/717111506.db2.gz WPXVYHHWCHGAMC-HIFRSBDPSA-N 2 0 367.921 3.434 20 0 FGADRP C[C@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+][C@H]1CCCS(=O)(=O)CC1 ZINC000634953192 717134809 /nfs/dbraw/zinc/13/48/09/717134809.db2.gz UQDLLCVGEYCSNH-PXNSSMCTSA-N 2 0 364.555 3.118 20 0 FGADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@H](CCO)c1ccc(Cl)c(F)c1 ZINC000635002877 717139212 /nfs/dbraw/zinc/13/92/12/717139212.db2.gz AUNMVUDOFGZTOZ-KPZWWZAWSA-N 2 0 351.853 3.416 20 0 FGADRP FC(F)(F)c1cccc(C[NH+]2CCC(NCC34CC(C3)C[NH2+]4)CC2)c1 ZINC000634996598 717139226 /nfs/dbraw/zinc/13/92/26/717139226.db2.gz ORKCNFQISAUQQF-UHFFFAOYSA-N 2 0 353.432 3.011 20 0 FGADRP Cc1ccc(C[NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)cc1Br ZINC000635013563 717139616 /nfs/dbraw/zinc/13/96/16/717139616.db2.gz TYDWWPBMUJXMOF-USXIJHARSA-N 2 0 353.304 3.004 20 0 FGADRP O=C(Nc1cccc(C[NH+]2CCSCC2)c1)C12CCC[NH+](CCC1)C2 ZINC000635453525 717171880 /nfs/dbraw/zinc/17/18/80/717171880.db2.gz QQRNWZCNYNZFNS-UHFFFAOYSA-N 2 0 359.539 3.050 20 0 FGADRP CC[NH+]1CCC(C[NH2+]Cc2nc3cc(Br)ccc3o2)CC1 ZINC000638565115 717466614 /nfs/dbraw/zinc/46/66/14/717466614.db2.gz LEPWMLWERFMMPS-UHFFFAOYSA-N 2 0 352.276 3.412 20 0 FGADRP C[NH+](C)CC1CCC([NH2+]Cc2c(C(F)(F)F)nc3n2CCCC3)CC1 ZINC000638775204 717484142 /nfs/dbraw/zinc/48/41/42/717484142.db2.gz CSVAIRKPHMXZLB-UHFFFAOYSA-N 2 0 358.452 3.448 20 0 FGADRP C[C@H]1OCC[C@@H]1C[N@@H+]1CCC[C@@]2(CCC[NH+](C[C@H]3CCO[C@H]3C)C2)C1 ZINC000639646325 717584753 /nfs/dbraw/zinc/58/47/53/717584753.db2.gz ORPQOAAEILWMCP-FDKIHUSFSA-N 2 0 350.547 3.014 20 0 FGADRP C[N@H+](CCCC[NH+]1CCCCC1)CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000640533507 717760934 /nfs/dbraw/zinc/76/09/34/717760934.db2.gz TYUXESGAKZQFLK-UHFFFAOYSA-N 2 0 351.579 3.469 20 0 FGADRP C[C@H](OC[C@@H](O)C[NH2+][C@@H](C)C1CC[NH+](C)CC1)c1ccc(Cl)cc1 ZINC000644562897 718124659 /nfs/dbraw/zinc/12/46/59/718124659.db2.gz GSDUWFWJFIRUPP-DOXZYTNZSA-N 2 0 354.922 3.098 20 0 FGADRP CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)C[C@@H]1CCCC[C@H]1[NH3+] ZINC000646254575 718273317 /nfs/dbraw/zinc/27/33/17/718273317.db2.gz JMIGYKKGCQKZRO-LSDHHAIUSA-N 2 0 351.457 3.017 20 0 FGADRP C[C@@H]([NH2+][C@H](CCO)c1cccc(OC(F)(F)F)c1)C1CC[NH+](C)CC1 ZINC000647330123 718349788 /nfs/dbraw/zinc/34/97/88/718349788.db2.gz CVTXXINSVINTDL-CXAGYDPISA-N 2 0 360.420 3.329 20 0 FGADRP Fc1ccc(CN2CCC[C@H]([NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@@H]4C3)C2)c(Cl)c1 ZINC000647550164 718367211 /nfs/dbraw/zinc/36/72/11/718367211.db2.gz CYHMTBGWOMDGOE-HYEGPXJVSA-N 2 0 365.924 3.421 20 0 FGADRP C[NH+]1CCN(C(C)(C)C[NH2+]Cc2cnc(-c3ccccc3F)s2)CC1 ZINC000648415989 718423919 /nfs/dbraw/zinc/42/39/19/718423919.db2.gz AGGYPSCMPXPYRC-UHFFFAOYSA-N 2 0 362.518 3.065 20 0 FGADRP [NH3+][C@H](C(=O)NCc1ccccc1C[NH+]1CCCC1)c1cccc(Cl)c1 ZINC000649281811 718500606 /nfs/dbraw/zinc/50/06/06/718500606.db2.gz CZRATAVMBMAENL-IBGZPJMESA-N 2 0 357.885 3.252 20 0 FGADRP O=C(Nc1ccc(C[NH+]2CCCCCC2)cc1)[C@@H]1C[NH2+]CCC1(F)F ZINC000649311318 718503249 /nfs/dbraw/zinc/50/32/49/718503249.db2.gz HKPSIQINHVRYEW-KRWDZBQOSA-N 2 0 351.441 3.246 20 0 FGADRP Clc1ccc(OCCN2CC[NH+](CCCC3CC[NH2+]CC3)CC2)cc1 ZINC000649411052 718512579 /nfs/dbraw/zinc/51/25/79/718512579.db2.gz JQQOLNJKCYXCMT-UHFFFAOYSA-N 2 0 365.949 3.116 20 0 FGADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@H+](Cc3cc(Br)cs3)C2)C1 ZINC000650705270 718716565 /nfs/dbraw/zinc/71/65/65/718716565.db2.gz ASOBALZSUJJYDI-UXIGCNINSA-N 2 0 359.333 3.229 20 0 FGADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@H+](Cc3c(F)cccc3Br)C2)C1 ZINC000650708444 718718235 /nfs/dbraw/zinc/71/82/35/718718235.db2.gz ZPVVGPRVOSLIFC-AHIWAGSCSA-N 2 0 371.294 3.307 20 0 FGADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2Cc2ccc(Br)s2)C1 ZINC000650721883 718720006 /nfs/dbraw/zinc/72/00/06/718720006.db2.gz FAHYUVNGDQGMHY-BNOWGMLFSA-N 2 0 359.333 3.371 20 0 FGADRP C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]CCC1CC[NH2+]CC1 ZINC000650764070 718725121 /nfs/dbraw/zinc/72/51/21/718725121.db2.gz PQLZYFHVXJUKKQ-OAHLLOKOSA-N 2 0 351.922 3.056 20 0 FGADRP FC(F)(F)[C@@H]1N(c2ccc(C[NH+]3CCCC3)cn2)CCC12CC[NH2+]CC2 ZINC001164387165 718814986 /nfs/dbraw/zinc/81/49/86/718814986.db2.gz DQAQBOMDNWWJHF-QGZVFWFLSA-N 2 0 368.447 3.188 20 0 FGADRP C[N@H+](Cc1ccc(N2[C@@H](C(F)(F)F)CCC23CC[NH2+]CC3)nc1)C1CC1 ZINC001164413462 718881458 /nfs/dbraw/zinc/88/14/58/718881458.db2.gz ISHBAYVVWZHPKX-MRXNPFEDSA-N 2 0 368.447 3.329 20 0 FGADRP Cc1ccc(-c2nc(C[N@@H+]3CCC[C@H]([C@@H]4C[C@H]([NH3+])CCO4)C3)cs2)o1 ZINC000652348478 718934824 /nfs/dbraw/zinc/93/48/24/718934824.db2.gz FKUFBPDHEAUPJY-DAYGRLMNSA-N 2 0 361.511 3.430 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)[C@@H]1CCC[NH2+]CC1)c1ccccc1Cl ZINC000653105845 719013064 /nfs/dbraw/zinc/01/30/64/719013064.db2.gz LXTOPPOUMBOWTM-CRAIPNDOSA-N 2 0 351.922 3.229 20 0 FGADRP C[C@@H]1C[N@H+](C)[C@@H](C)CN1c1ccc2c(n1)CC[NH+](Cc1ccccc1)C2 ZINC001164631049 719180878 /nfs/dbraw/zinc/18/08/78/719180878.db2.gz ADUJXSUMFMTPGN-ZWKOTPCHSA-N 2 0 350.510 3.169 20 0 FGADRP CC(C)[C@@H](CNC1CC[NH+](C[C@@H]2CCCO2)CC1)[NH+]1CCCCCC1 ZINC000655687453 719325607 /nfs/dbraw/zinc/32/56/07/719325607.db2.gz PKMZIKFXPYNOJN-LEWJYISDSA-N 2 0 351.579 3.120 20 0 FGADRP Cc1nn(-c2ccccc2Br)cc1C[NH2+]CCCC[NH+](C)C ZINC000655721409 719329819 /nfs/dbraw/zinc/32/98/19/719329819.db2.gz OSKSFCGHOJCKKM-UHFFFAOYSA-N 2 0 365.319 3.375 20 0 FGADRP C[C@H](C[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000655802188 719342124 /nfs/dbraw/zinc/34/21/24/719342124.db2.gz FAACWHAWLQDNRO-BKZNIZDZSA-N 2 0 351.579 3.117 20 0 FGADRP C[C@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000655805573 719342417 /nfs/dbraw/zinc/34/24/17/719342417.db2.gz JCMRMKNATYUMIT-XYJFISCASA-N 2 0 364.555 3.394 20 0 FGADRP C[NH+](C)[C@H](CNC(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1)c1cccs1 ZINC000656551348 719407654 /nfs/dbraw/zinc/40/76/54/719407654.db2.gz JPMIUHMDLYHVFJ-DOTOQJQBSA-N 2 0 364.559 3.057 20 0 FGADRP C[C@H]1C[NH+](CCCC[NH2+]Cc2cccc(OC3CC3)c2F)C[C@H](C)O1 ZINC000657368513 719634903 /nfs/dbraw/zinc/63/49/03/719634903.db2.gz XZPZEVLNFCLCPI-HOTGVXAUSA-N 2 0 350.478 3.346 20 0 FGADRP C[C@@H](C[NH2+]Cc1c(Cl)cccc1N1CC[NH+](C)CC1)c1ccccn1 ZINC000657534962 719667132 /nfs/dbraw/zinc/66/71/32/719667132.db2.gz IIGSKCGIGLPXTF-INIZCTEOSA-N 2 0 358.917 3.380 20 0 FGADRP C[C@]1(O)CCC[NH+](CCCCCCCCC[N@H+]2CCC[C@](C)(O)C2)C1 ZINC000781903673 724610052 /nfs/dbraw/zinc/61/00/52/724610052.db2.gz GJSFAPDMVBWCGF-SFTDATJTSA-N 2 0 354.579 3.411 20 0 FGADRP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]CCCOC(C)(C)C)CC1 ZINC000657637604 719686930 /nfs/dbraw/zinc/68/69/30/719686930.db2.gz HQPSLCGRANJTSW-UHFFFAOYSA-N 2 0 353.938 3.387 20 0 FGADRP CCCCO[C@@H]1C[C@@H]([NH2+]CC2CC[NH+](C3CCOCC3)CC2)C1(C)C ZINC000658067674 719750445 /nfs/dbraw/zinc/75/04/45/719750445.db2.gz OVOYWRLTRRKRLO-WOJBJXKFSA-N 2 0 352.563 3.451 20 0 FGADRP CC(C)CO[C@@H]1C[C@H]([NH2+]CC2CC[NH+](C3CCOCC3)CC2)C1(C)C ZINC000658066768 719750623 /nfs/dbraw/zinc/75/06/23/719750623.db2.gz DYBBNDJSONQGRK-VQTJNVASSA-N 2 0 352.563 3.307 20 0 FGADRP CC(C)(C)O[C@H]1C[C@@H]([NH2+]CC2CC[NH+](C3CCOCC3)CC2)C1(C)C ZINC000658071386 719751652 /nfs/dbraw/zinc/75/16/52/719751652.db2.gz WSOSXNQTPCSZJZ-MOPGFXCFSA-N 2 0 352.563 3.449 20 0 FGADRP CC[NH+](CC)CCN(Cc1ccc(Cl)cc1)C(=O)N[C@H](C)C[C@H](C)[NH3+] ZINC000659555387 719925511 /nfs/dbraw/zinc/92/55/11/719925511.db2.gz KVDUYNZSINHZDS-JKSUJKDBSA-N 2 0 368.953 3.319 20 0 FGADRP COc1cccc(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)c1Cl ZINC000659973707 719966230 /nfs/dbraw/zinc/96/62/30/719966230.db2.gz GNXBSQZMWDSHHE-UHFFFAOYSA-N 2 0 352.906 3.425 20 0 FGADRP C[C@@H]1CN(CCSc2ccc(F)cc2F)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000660155204 719998561 /nfs/dbraw/zinc/99/85/61/719998561.db2.gz MMYHILCRGXOSGZ-CRAIPNDOSA-N 2 0 369.525 3.015 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1)c1ccsc1 ZINC000660338741 720033006 /nfs/dbraw/zinc/03/30/06/720033006.db2.gz LWZJAZDUXPHLBE-IAGOWNOFSA-N 2 0 366.575 3.303 20 0 FGADRP COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1cc3[nH]ccc3c(C)[nH+]1)C2 ZINC001164817222 720154933 /nfs/dbraw/zinc/15/49/33/720154933.db2.gz PAEAJMVHIZPUDA-UWJYYQICSA-N 2 0 354.498 3.056 20 0 FGADRP Clc1ccc(O[C@H]2CCC[N@H+](C[C@H]3CCC4(C[NH2+]C4)O3)C2)cc1Cl ZINC000662257485 720405534 /nfs/dbraw/zinc/40/55/34/720405534.db2.gz CZWRCBZHBYTPDY-LSDHHAIUSA-N 2 0 371.308 3.358 20 0 FGADRP CSc1ccc(NC(=O)[C@H](C)[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC000662290167 720409919 /nfs/dbraw/zinc/40/99/19/720409919.db2.gz AGEAVIBENQJKJA-DOTOQJQBSA-N 2 0 361.555 3.447 20 0 FGADRP CN(Cc1ccc(Cl)s1)C(=O)C[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662294599 720410926 /nfs/dbraw/zinc/41/09/26/720410926.db2.gz CPSAWXXLAKWKRA-HNNXBMFYSA-N 2 0 369.962 3.072 20 0 FGADRP C[C@@H](CCNC(=O)NC[C@H](c1cccs1)[NH+]1CCC(C)CC1)[NH+](C)C ZINC000663444949 720515016 /nfs/dbraw/zinc/51/50/16/720515016.db2.gz NDOJQHWPRRHHDB-DLBZAZTESA-N 2 0 366.575 3.161 20 0 FGADRP C[C@H](CCNC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)[NH+](C)C ZINC000663456385 720517568 /nfs/dbraw/zinc/51/75/68/720517568.db2.gz BIHAEVFFCAKQBN-QAPCUYQASA-N 2 0 366.937 3.116 20 0 FGADRP CC(C)[C@H]([NH3+])CC[NH2+][C@H](C)CC(=O)Nc1cccc(Br)c1 ZINC000663501665 720520347 /nfs/dbraw/zinc/52/03/47/720520347.db2.gz BEJARBSAWVEORL-IUODEOHRSA-N 2 0 356.308 3.129 20 0 FGADRP C[NH2+]CCCC(=O)N1CCC([NH2+]C[C@@H](C)c2cccc(Cl)c2)CC1 ZINC000663506922 720520678 /nfs/dbraw/zinc/52/06/78/720520678.db2.gz XTWQDTJBQLMTHW-OAHLLOKOSA-N 2 0 351.922 3.024 20 0 FGADRP CCOc1c(Br)cc(C[NH2+][C@H]2CC23CC[NH2+]CC3)cc1OC ZINC000666952407 721004943 /nfs/dbraw/zinc/00/49/43/721004943.db2.gz VLPDXNHVZFXYIQ-HNNXBMFYSA-N 2 0 369.303 3.088 20 0 FGADRP C[C@H]([NH2+][C@H](c1ccc(Cl)cc1)[C@H]1CN(C)CCO1)C1CC[NH+](C)CC1 ZINC000678610472 721967172 /nfs/dbraw/zinc/96/71/72/721967172.db2.gz NZJXARYUTQEVRJ-CWFSZBLJSA-N 2 0 365.949 3.032 20 0 FGADRP C[C@@H](Cc1ccccc1C(F)(F)F)[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000684612887 722349478 /nfs/dbraw/zinc/34/94/78/722349478.db2.gz ZIEFJBVFFYBAQH-HNNXBMFYSA-N 2 0 357.464 3.252 20 0 FGADRP COc1ccc(C[N@@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)cc1OC(F)F ZINC000685463071 722386235 /nfs/dbraw/zinc/38/62/35/722386235.db2.gz BFDHIKWCLGFPNS-MRXNPFEDSA-N 2 0 354.441 3.460 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=S)NCC(C)(C)C[NH+](C)C)c1ccccc1 ZINC000727067106 722440747 /nfs/dbraw/zinc/44/07/47/722440747.db2.gz VCUOQRFZBNRHKZ-SFHVURJKSA-N 2 0 364.603 3.121 20 0 FGADRP CC(C)(C[NH2+][C@H]1CCC[C@H]1CNC(=O)OC(C)(C)C)C[NH+]1CCCC1 ZINC000790748125 723172963 /nfs/dbraw/zinc/17/29/63/723172963.db2.gz JUSXWLWPLCNWIM-IRXDYDNUSA-N 2 0 353.551 3.391 20 0 FGADRP COc1c(C)cc([C@H](C)[NH2+]C[C@@H](C)CN2CC[NH+](C)CC2)cc1Cl ZINC000796750188 723653341 /nfs/dbraw/zinc/65/33/41/723653341.db2.gz SQHTVNYCQAXVCV-ZBFHGGJFSA-N 2 0 353.938 3.191 20 0 FGADRP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCN(C(=O)OC(C)(C)C)CC2)[C@H]2CCC[C@H]21 ZINC000796947191 723660447 /nfs/dbraw/zinc/66/04/47/723660447.db2.gz IXFSCVZLNQQOFE-ZJPYXAASSA-N 2 0 351.535 3.238 20 0 FGADRP C[C@@H](CNCc1c(Cl)cccc1N1CC[NH+](C)CC1)[NH+]1CCCCC1 ZINC000770726657 723720182 /nfs/dbraw/zinc/72/01/82/723720182.db2.gz POVKXUHTXIBXKY-KRWDZBQOSA-N 2 0 364.965 3.056 20 0 FGADRP Cc1cc(C[NH2+]CC2(N3CCCCC3)CC[NH+](C)CC2)cc(Cl)n1 ZINC000797602512 723841042 /nfs/dbraw/zinc/84/10/42/723841042.db2.gz MEPIFOJMZOSTEM-UHFFFAOYSA-N 2 0 350.938 3.083 20 0 FGADRP C[C@@H]1C[C@H]([NH2+]C2CC[NH+](CC3CC3)CC2)CCN1C(=O)OC(C)(C)C ZINC000774514285 723901222 /nfs/dbraw/zinc/90/12/22/723901222.db2.gz XSRITIJMWSLQPU-CRAIPNDOSA-N 2 0 351.535 3.238 20 0 FGADRP Cc1cc(Br)cc(CN2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)c1 ZINC000774911454 723941992 /nfs/dbraw/zinc/94/19/92/723941992.db2.gz GPMSPPRGMYMWLA-OKZBNKHCSA-N 2 0 367.331 3.441 20 0 FGADRP Cc1cc(Br)cc(C[NH2+]CCCC[N@@H+]2CCC[C@H]2CO)c1 ZINC000774992824 723949410 /nfs/dbraw/zinc/94/94/10/723949410.db2.gz UVKKNPDQIMIWOZ-KRWDZBQOSA-N 2 0 355.320 3.084 20 0 FGADRP CC(C)(C[NH2+]C[C@@]1(C)CCN(C(=O)OC(C)(C)C)C1)C[NH+]1CCCC1 ZINC000798953792 723978668 /nfs/dbraw/zinc/97/86/68/723978668.db2.gz LOVAOXDJXMIVRU-HXUWFJFHSA-N 2 0 353.551 3.345 20 0 FGADRP CC1CC[NH+](CCC[NH2+]C2CC3(C2)CN(C(=O)OC(C)(C)C)C3)CC1 ZINC000788503800 725068640 /nfs/dbraw/zinc/06/86/40/725068640.db2.gz OQUZNHXHKKEZBK-UHFFFAOYSA-N 2 0 351.535 3.098 20 0 FGADRP C[NH+](C)CC[C@@H]([NH2+]C1CC2(C1)CN(C(=O)OC(C)(C)C)C2)C(C)(C)C ZINC000788602233 725075084 /nfs/dbraw/zinc/07/50/84/725075084.db2.gz ALDJRZGITMHSEQ-MRXNPFEDSA-N 2 0 353.551 3.342 20 0 FGADRP C[NH+]1CCC(C[NH2+][C@@H]2CCc3nc(Cl)ccc32)(N2CCCCC2)CC1 ZINC000806140880 725117668 /nfs/dbraw/zinc/11/76/68/725117668.db2.gz DGDSDWWKHRNUBY-QGZVFWFLSA-N 2 0 362.949 3.262 20 0 FGADRP COCc1cc([C@H](C)[NH2+]CC2(SC)CC[NH+](C)CC2)ccc1OC ZINC000810251906 725299873 /nfs/dbraw/zinc/29/98/73/725299873.db2.gz BNSUMCWRENZDON-HNNXBMFYSA-N 2 0 352.544 3.320 20 0 FGADRP C[N@H+](CCOC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1)Cc1ccc(F)cc1 ZINC000811448562 725365949 /nfs/dbraw/zinc/36/59/49/725365949.db2.gz XFHKKXWIRHWDRN-LJQANCHMSA-N 2 0 354.441 3.013 20 0 FGADRP C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1[NH2+][C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000812720388 726806501 /nfs/dbraw/zinc/80/65/01/726806501.db2.gz FAOIPAFPKQAFIT-OWSLCNJRSA-N 2 0 353.551 3.484 20 0 FGADRP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCC2(CCN2C(=O)OC(C)(C)C)CC1 ZINC000817286830 727236302 /nfs/dbraw/zinc/23/63/02/727236302.db2.gz NFQUVPYNZYSQCY-KRWDZBQOSA-N 2 0 351.535 3.336 20 0 FGADRP CC[C@H]([NH2+][C@@H]1CC[NH2+]C2(CCC2)C1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000817984965 727290699 /nfs/dbraw/zinc/29/06/99/727290699.db2.gz CZGWREFSBOZEET-IXDOHACOSA-N 2 0 351.535 3.429 20 0 FGADRP C[C@H](C[NH2+]C[C@](C)(O)c1ccc(Br)cc1F)C[NH+]1CCCC1 ZINC000818966006 727331719 /nfs/dbraw/zinc/33/17/19/727331719.db2.gz GPANXNPJXOWZFK-DYVFJYSZSA-N 2 0 373.310 3.117 20 0 FGADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]C[C@@H](O)c2ccc(Br)cc2)C1 ZINC000818985784 727334849 /nfs/dbraw/zinc/33/48/49/727334849.db2.gz VYEOARFCKIYSJR-WMLDXEAASA-N 2 0 355.320 3.193 20 0 FGADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]C[C@H](O)c2ccccc2Br)C1 ZINC000819181792 727355401 /nfs/dbraw/zinc/35/54/01/727355401.db2.gz BAWMKILPXJPTKS-QAPCUYQASA-N 2 0 369.347 3.440 20 0 FGADRP O[C@@H](C[NH2+]CC1CC[NH+](C2CC2)CC1)c1ccc(F)c(Br)c1 ZINC000819268281 727362834 /nfs/dbraw/zinc/36/28/34/727362834.db2.gz REKGWWPOSHUAOV-KRWDZBQOSA-N 2 0 371.294 3.086 20 0 FGADRP CC(C)C[NH+]1CCC([NH2+][C@@H](C)[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC000820806658 729033173 /nfs/dbraw/zinc/03/31/73/729033173.db2.gz NLSKVHACWVZXMX-WMZOPIPTSA-N 2 0 353.551 3.484 20 0 FGADRP COC(=O)N1CCC[C@H]([NH2+]C2CC[NH+](C(C)(C)CC(C)(C)C)CC2)C1 ZINC000823756881 729303184 /nfs/dbraw/zinc/30/31/84/729303184.db2.gz DTUYQPGMKGLGKL-KRWDZBQOSA-N 2 0 353.551 3.486 20 0 FGADRP Cc1cc([C@H]([NH3+])CC(=O)NCCCC[N@H+]2CCCC[C@H]2C)cc(Cl)n1 ZINC000827103211 729424242 /nfs/dbraw/zinc/42/42/42/729424242.db2.gz GUILKUUOSWDOMA-NVXWUHKLSA-N 2 0 366.937 3.204 20 0 FGADRP CCN(CCC[NH+](CC)CC)C(=O)C[C@@H]([NH3+])c1cc(C)nc(Cl)c1 ZINC000831975389 729679386 /nfs/dbraw/zinc/67/93/86/729679386.db2.gz LYMLCLBTTXWAIX-MRXNPFEDSA-N 2 0 354.926 3.014 20 0 FGADRP CC[C@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000834508759 729808467 /nfs/dbraw/zinc/80/84/67/729808467.db2.gz QGJVHUTVIFZPAZ-SZMVWBNQSA-N 2 0 351.535 3.238 20 0 FGADRP CC[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000834513343 729808923 /nfs/dbraw/zinc/80/89/23/729808923.db2.gz KYBYIXLCGXZHLA-MHORFTMASA-N 2 0 351.535 3.381 20 0 FGADRP C[N@H+](CCCC[NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C)C1CC1 ZINC000834909095 729845563 /nfs/dbraw/zinc/84/55/63/729845563.db2.gz LAMGBODMJOCPMO-ZNXRZULTSA-N 2 0 351.535 3.381 20 0 FGADRP C[C@H]([NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1)c1ccnc(Cl)c1 ZINC000840883552 730187900 /nfs/dbraw/zinc/18/79/00/730187900.db2.gz FRQGKVZIMPCZNH-INIZCTEOSA-N 2 0 359.901 3.413 20 0 FGADRP [NH3+]CCCCCC[NH2+]Cc1nc(-c2ccc(Br)cc2)c[nH]1 ZINC000843128467 730589371 /nfs/dbraw/zinc/58/93/71/730589371.db2.gz VZMIEVYGGDHYDM-UHFFFAOYSA-N 2 0 351.292 3.448 20 0 FGADRP Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000848562925 731182405 /nfs/dbraw/zinc/18/24/05/731182405.db2.gz MMAVBDRKIQWKIF-WOVMCDHWSA-N 2 0 364.896 3.462 20 0 FGADRP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=[NH2+])N3CCSCC3)cc2)C1 ZINC000849062005 731225358 /nfs/dbraw/zinc/22/53/58/731225358.db2.gz AQPNBTZYIMTGBO-IAGOWNOFSA-N 2 0 360.571 3.238 20 0 FGADRP C[C@H](NC(=[NH2+])NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccc(Cl)cc1Cl ZINC000849074203 731226104 /nfs/dbraw/zinc/22/61/04/731226104.db2.gz GIPOAACIHYYRKW-IACUBPJLSA-N 2 0 371.312 3.032 20 0 FGADRP CCOC(=O)C(F)(F)[C@@H]1CC[C@H]([NH2+]CC2CC[NH+](CC3CC3)CC2)C1 ZINC000850580759 731375780 /nfs/dbraw/zinc/37/57/80/731375780.db2.gz AWWBMMDSLCYIRO-SJORKVTESA-N 2 0 358.473 3.065 20 0 FGADRP CC(C)[N@H+](C)Cc1cc(O[C@H]2CC[NH+](CCc3cncs3)C2)ccn1 ZINC000856607016 732040759 /nfs/dbraw/zinc/04/07/59/732040759.db2.gz SMUSVUKQWXCRTG-SFHVURJKSA-N 2 0 360.527 3.074 20 0 FGADRP C[C@@H]([NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C12CCC2)C1CC[NH+](C)CC1 ZINC000858474592 732218650 /nfs/dbraw/zinc/21/86/50/732218650.db2.gz BQHRERRSPWXOAC-WBVHZDCISA-N 2 0 351.535 3.238 20 0 FGADRP C[C@@H](O)C[C@@H]1CCC[N@@H+]1CC[Si](C)(C)CC[NH+]1CCC[C@H]1C[C@H](C)O ZINC000859205136 732289603 /nfs/dbraw/zinc/28/96/03/732289603.db2.gz VQBMZFAYDNPYBE-YRPNKDGESA-N 2 0 370.654 3.165 20 0 FGADRP C[C@@H](O)C[C@H]1CCC[N@@H+]1CC[Si](C)(C)CC[NH+]1CCC[C@H]1C[C@H](C)O ZINC000859205133 732289807 /nfs/dbraw/zinc/28/98/07/732289807.db2.gz VQBMZFAYDNPYBE-FGYAAKKASA-N 2 0 370.654 3.165 20 0 FGADRP C[C@]1(O)CCC[NH+](CC[Si](C)(C)CC[N@H+]2CCC[C@](C)(O)CC2)CC1 ZINC000859285575 732304089 /nfs/dbraw/zinc/30/40/89/732304089.db2.gz ZICQIINDKTUZGU-PMACEKPBSA-N 2 0 370.654 3.169 20 0 FGADRP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CC(F)(F)CN2C(=O)OC(C)(C)C)C1 ZINC000862283548 732804119 /nfs/dbraw/zinc/80/41/19/732804119.db2.gz KIFCKWMROSBLJQ-KFWWJZLASA-N 2 0 361.477 3.094 20 0 FGADRP CCOC(=O)C1([C@@H](C)[NH2+][C@H]2CCc3ccc(Cl)cc32)CC[NH2+]CC1 ZINC000863549087 732976113 /nfs/dbraw/zinc/97/61/13/732976113.db2.gz ZAEXQSWRQJYTSC-DYVFJYSZSA-N 2 0 350.890 3.238 20 0 FGADRP O[C@@H]1CC[N@H+](CCCC2CC[NH2+]CC2)[C@@H]1c1ccc(Br)cc1 ZINC000863564677 732977284 /nfs/dbraw/zinc/97/72/84/732977284.db2.gz YEBWLKRAHAGKPH-QZTJIDSGSA-N 2 0 367.331 3.337 20 0 FGADRP COCOc1ccc(OC)cc1C[NH2+]CCC1CC[NH+](C(C)C)CC1 ZINC000865717342 733258608 /nfs/dbraw/zinc/25/86/08/733258608.db2.gz XAEYGPGKJUDDDL-UHFFFAOYSA-N 2 0 350.503 3.278 20 0 FGADRP CCS(=O)(=O)c1c(Cl)cccc1C[NH2+]C1CCC(C)([NH+](C)C)CC1 ZINC000865765047 733265943 /nfs/dbraw/zinc/26/59/43/733265943.db2.gz JPIKGRGVVPTQAJ-UHFFFAOYSA-N 2 0 372.962 3.486 20 0 FGADRP C[NH+](C)C1(C)CCC([NH2+]C[C@@H](CC(F)F)NC(=O)OC(C)(C)C)CC1 ZINC000865765149 733266020 /nfs/dbraw/zinc/26/60/20/733266020.db2.gz XQRUDKSXQMOIHK-TXKKKEFDSA-N 2 0 363.493 3.387 20 0 FGADRP C[C@H]([NH2+]CCCN1CCC[N@H+](C)CC1)c1cc2c(ccnc2Cl)o1 ZINC000866261158 733330518 /nfs/dbraw/zinc/33/05/18/733330518.db2.gz QGHBAKBBYYGCAE-AWEZNQCLSA-N 2 0 350.894 3.159 20 0 FGADRP C[N@@H+]1CC[C@@H]([NH2+][C@H]2C[C@H]3C[C@@H](C2)N(C(=O)OC(C)(C)C)C3)CC1(C)C ZINC000872128899 735593469 /nfs/dbraw/zinc/59/34/69/735593469.db2.gz NIOJONYLTAOMGQ-YVSFHVDLSA-N 2 0 351.535 3.237 20 0 FGADRP CCN(C[C@@H]1CC[N@H+](Cc2cc3c(s2)CC[NH2+]C3)C1)CC(F)(F)F ZINC000873208623 735737791 /nfs/dbraw/zinc/73/77/91/735737791.db2.gz YNHYKCGILNTOAZ-ZDUSSCGKSA-N 2 0 361.477 3.100 20 0 FGADRP [NH3+]Cc1cn(-c2cccc(C[NH2+][C@@H]3CCSc4ccccc43)c2)nn1 ZINC000873247331 735743364 /nfs/dbraw/zinc/74/33/64/735743364.db2.gz LAMFQNWKDSMWDQ-GOSISDBHSA-N 2 0 351.479 3.053 20 0 FGADRP [NH3+]Cc1cn(-c2cccc(C[NH2+][C@@H]3CCc4c3cccc4Cl)c2)nn1 ZINC000873247408 735743386 /nfs/dbraw/zinc/74/33/86/735743386.db2.gz MIMRFIKWAANRSO-LJQANCHMSA-N 2 0 353.857 3.157 20 0 FGADRP Brc1ccc2c(c1)CC[C@@H]2[NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873289537 735746476 /nfs/dbraw/zinc/74/64/76/735746476.db2.gz JESKYDKFLJQSNF-RDJZCZTQSA-N 2 0 365.315 3.185 20 0 FGADRP Cc1ccc(OC(F)F)c([C@H](C)[NH2+]C[C@@H]2CC3(CO2)CC[NH2+]CC3)c1 ZINC000873288714 735746678 /nfs/dbraw/zinc/74/66/78/735746678.db2.gz AUEXBAMWBWLUSI-GJZGRUSLSA-N 2 0 354.441 3.406 20 0 FGADRP C[C@@H]([NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2)c1cccc(Br)c1 ZINC000873290044 735747153 /nfs/dbraw/zinc/74/71/53/735747153.db2.gz NNPSSLDYIAKVQF-CJNGLKHVSA-N 2 0 353.304 3.258 20 0 FGADRP COCCC[C@@H]([NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2)c1ccc(F)cc1 ZINC000873294004 735747590 /nfs/dbraw/zinc/74/75/90/735747590.db2.gz SAZOSIODWLFRCA-RTBURBONSA-N 2 0 350.478 3.042 20 0 FGADRP C[C@H]([NH3+])c1ccc(CNC(=O)[C@H]([NH3+])c2cccc(C(F)(F)F)c2)cc1 ZINC000876539262 736111352 /nfs/dbraw/zinc/11/13/52/736111352.db2.gz AUCGNJVKBOIHDR-MEDUHNTESA-N 2 0 351.372 3.041 20 0 FGADRP Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000876743737 736139343 /nfs/dbraw/zinc/13/93/43/736139343.db2.gz HSHXDXPMRNFEBD-QUCCMNQESA-N 2 0 359.539 3.015 20 0 FGADRP C[NH+]1CCC(N2CC[C@H]([NH2+]Cc3cc4nc(Cl)ccc4s3)C2)CC1 ZINC000877027636 736177460 /nfs/dbraw/zinc/17/74/60/736177460.db2.gz QQHUKXJBVIYJMB-ZDUSSCGKSA-N 2 0 364.946 3.208 20 0 FGADRP CCO[P@](C)(=O)CC[C@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000877190846 736197126 /nfs/dbraw/zinc/19/71/26/736197126.db2.gz BDTXIBYDWJDCEV-WEVXLUSXSA-N 2 0 368.458 3.066 20 0 FGADRP CCN1CC[NH+](CCCC[NH2+]C2CC(c3ccc(F)cc3F)C2)CC1 ZINC000892562517 740017372 /nfs/dbraw/zinc/01/73/72/740017372.db2.gz FXHAAYRXCPXTPH-UHFFFAOYSA-N 2 0 351.485 3.218 20 0 FGADRP C[NH+](C)C[C@@H]1CN(Cc2c(Cl)ccc3cccnc32)C[C@H]1C[NH+](C)C ZINC000877669571 736702021 /nfs/dbraw/zinc/70/20/21/736702021.db2.gz OZDARDJHHRKNMF-IAGOWNOFSA-N 2 0 360.933 3.059 20 0 FGADRP CO[C@H]1C[C@@H](C[NH+]2CCCC3(CCC[N@@H+](C[C@H]4C[C@@H](OC)C4)C3)C2)C1 ZINC000878629323 736901749 /nfs/dbraw/zinc/90/17/49/736901749.db2.gz VDUQOAIREGAVPW-KGLOJCAVSA-N 2 0 350.547 3.014 20 0 FGADRP C[N@@H+]1CC[C@@H]2C[NH+](CC[C@H]3CCCN(C(=O)OC(C)(C)C)C3)CC[C@H]21 ZINC000879582514 737011081 /nfs/dbraw/zinc/01/10/81/737011081.db2.gz SEHYKCSAFYKIID-KZNAEPCWSA-N 2 0 351.535 3.050 20 0 FGADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2CCc2ccccc2Br)C1 ZINC000883435587 737566383 /nfs/dbraw/zinc/56/63/83/737566383.db2.gz WRRBBYRSPMFGCF-NXHRZFHOSA-N 2 0 367.331 3.352 20 0 FGADRP CCC1([NH+]2CCC2)CCN(C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)CC1 ZINC000884153659 737638623 /nfs/dbraw/zinc/63/86/23/737638623.db2.gz PEPUNFVFGCQGQA-QGZVFWFLSA-N 2 0 352.567 3.013 20 0 FGADRP CC1CC[NH+](C2CCC([NH2+][C@H]3CCOC4(CCOCC4)C3)CC2)CC1 ZINC000886044040 739211620 /nfs/dbraw/zinc/21/16/20/739211620.db2.gz PEIFKYLIAXFEKT-GPJFCIFZSA-N 2 0 350.547 3.347 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)N1CCC([NH2+]C2CCC2)CC1)CC(C)C ZINC000891755446 739934051 /nfs/dbraw/zinc/93/40/51/739934051.db2.gz WJJMFIKRERXQET-LJQANCHMSA-N 2 0 352.567 3.059 20 0 FGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+]C2CC(c3ccc(F)cc3F)C2)CC1 ZINC000892928838 740059685 /nfs/dbraw/zinc/05/96/85/740059685.db2.gz PDXTXGFOPGPVAQ-KLHKWILBSA-N 2 0 351.485 3.074 20 0 FGADRP CC[NH+](CC)CCCC1CC[NH+]([C@H]2CCC3(C[C@@H]2F)OCCO3)CC1 ZINC000893499034 742163296 /nfs/dbraw/zinc/16/32/96/742163296.db2.gz QSOLCANVWSKIOA-OALUTQOASA-N 2 0 356.526 3.454 20 0 FGADRP OC1(CC[NH2+]C[C@H]2CC2(Cl)Cl)CC[NH+](Cc2ccccc2)CC1 ZINC000895647810 742436854 /nfs/dbraw/zinc/43/68/54/742436854.db2.gz MEMRCRLYRFXJTK-MRXNPFEDSA-N 2 0 357.325 3.187 20 0 FGADRP C[N@@H+]1CC[C@@H]2C[NH+](C[C@@]3(C)CCCN(C(=O)OC(C)(C)C)C3)CC[C@@H]21 ZINC000895845266 742461962 /nfs/dbraw/zinc/46/19/62/742461962.db2.gz URYLMNHTCJDUNH-FUHIMQAGSA-N 2 0 351.535 3.050 20 0 FGADRP C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CC[C@@H]3CCCC[NH+]32)[C@@H]1c1cccs1 ZINC000900829723 743180574 /nfs/dbraw/zinc/18/05/74/743180574.db2.gz XNKVZTWGDCHEMD-VUHPKUFZSA-N 2 0 361.555 3.264 20 0 FGADRP CCNC(=O)C1(C[NH2+][C@H](CCCC[NH3+])c2ccc(F)cc2F)CCC1 ZINC000902378425 743738829 /nfs/dbraw/zinc/73/88/29/743738829.db2.gz ZPVUHVUJQKUMLG-QGZVFWFLSA-N 2 0 353.457 3.031 20 0 FGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@H](C)c2ccc(C(F)(F)F)cn2)CC1 ZINC000902791334 743775875 /nfs/dbraw/zinc/77/58/75/743775875.db2.gz UMLQLXORSZMLOR-LSDHHAIUSA-N 2 0 358.452 3.025 20 0 FGADRP C[C@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)c1ccc(C(F)(F)F)cn1 ZINC000902794457 743776387 /nfs/dbraw/zinc/77/63/87/743776387.db2.gz WAKYMRCHNRNZII-AWEZNQCLSA-N 2 0 358.452 3.025 20 0 FGADRP Fc1ccc([C@H]2CCC[N@H+](C[C@@H]3CC4(CO3)CC[NH2+]CC4)C2)cc1F ZINC000903769291 743881885 /nfs/dbraw/zinc/88/18/85/743881885.db2.gz BQGSJDGWTQLZBO-IRXDYDNUSA-N 2 0 350.453 3.303 20 0 FGADRP Clc1cccc(C2([NH2+]Cc3cnnn3[C@H]3CCC[NH2+]C3)CCCC2)c1 ZINC000903903828 743894478 /nfs/dbraw/zinc/89/44/78/743894478.db2.gz XAJYSQIVLNCTMM-KRWDZBQOSA-N 2 0 359.905 3.415 20 0 FGADRP [NH3+]CC1(c2ccccc2)CC[NH+](Cc2cnc([C@@H]3CCCO3)s2)CC1 ZINC000904459862 743956799 /nfs/dbraw/zinc/95/67/99/743956799.db2.gz ZALMLAHWOOWROO-SFHVURJKSA-N 2 0 357.523 3.487 20 0 FGADRP CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1ccc(Br)s1)C2 ZINC000922386806 758909560 /nfs/dbraw/zinc/90/95/60/758909560.db2.gz IRWZCYPOXMOFAU-VDERGJSUSA-N 2 0 373.360 3.080 20 0 FGADRP CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1ccsc1Br)C2 ZINC000922390427 758911499 /nfs/dbraw/zinc/91/14/99/758911499.db2.gz MNIMXBDREDRJJG-HGTKMLMNSA-N 2 0 373.360 3.080 20 0 FGADRP C([C@H]1CCC2(CCOCC2)CO1)[NH+]1CCC([C@H]2CCC[NH2+]CC2)CC1 ZINC000923506156 759135456 /nfs/dbraw/zinc/13/54/56/759135456.db2.gz IIQWJOSUYWITQK-AZUAARDMSA-N 2 0 350.547 3.064 20 0 FGADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H]1CCCc2ncc(Br)cc21 ZINC000925241798 759467072 /nfs/dbraw/zinc/46/70/72/759467072.db2.gz SLSKZSFSWAISPN-YOEHRIQHSA-N 2 0 370.335 3.168 20 0 FGADRP FC(F)(F)[C@@H]1CC([NH2+][C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)C[C@@H](C(F)(F)F)C1 ZINC000925527207 759500148 /nfs/dbraw/zinc/50/01/48/759500148.db2.gz QZYXVQRRJGEMNX-JTKNTLBKSA-N 2 0 356.354 3.482 20 0 FGADRP [NH3+]CCC[C@@H]([NH2+]CCCCn1cc(Br)cn1)c1ccccc1 ZINC000925652882 759517478 /nfs/dbraw/zinc/51/74/78/759517478.db2.gz HXESMYBKCMDACG-QGZVFWFLSA-N 2 0 365.319 3.496 20 0 FGADRP [NH3+]C1CCN(CC[NH2+][C@H]2CC[C@H](c3ccc(C(F)(F)F)cc3)C2)CC1 ZINC000925816016 759550674 /nfs/dbraw/zinc/55/06/74/759550674.db2.gz CAXSXSPYPGNYKC-YJBOKZPZSA-N 2 0 355.448 3.354 20 0 FGADRP C[C@@H]([NH2+]CCCCCC1CC[NH2+]CC1)c1cccc(NS(C)(=O)=O)c1 ZINC000925818914 759550688 /nfs/dbraw/zinc/55/06/88/759550688.db2.gz WATFJNQEZAKBQQ-MRXNPFEDSA-N 2 0 367.559 3.269 20 0 FGADRP [NH3+][C@@H]1CC[C@H](C[NH2+][C@@H](c2ccc(Br)cc2)[C@H]2CCCO2)C1 ZINC000925881994 759566094 /nfs/dbraw/zinc/56/60/94/759566094.db2.gz IFFXEABJZPMNCA-DXEWXGHRSA-N 2 0 353.304 3.386 20 0 FGADRP CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)C1 ZINC000929694549 760435607 /nfs/dbraw/zinc/43/56/07/760435607.db2.gz BRFYLNCZHFXFOQ-RCCFBDPRSA-N 2 0 351.535 3.098 20 0 FGADRP C[C@@H]1[C@H](C(=O)N2CCCC[C@H]2C[NH2+]Cc2sccc2Cl)CC[N@@H+]1C ZINC000960011538 762730856 /nfs/dbraw/zinc/73/08/56/762730856.db2.gz SHSSMXXZYQZBBN-QLFBSQMISA-N 2 0 369.962 3.212 20 0 FGADRP CC[C@@H]1[C@@H](C(=O)N[C@]23CCC[C@@H]2[NH+](Cc2ccsc2)CC3)CC[N@@H+]1C ZINC000990761481 764560986 /nfs/dbraw/zinc/56/09/86/764560986.db2.gz IUIQUHJLAPGCMD-DMUMMCEESA-N 2 0 361.555 3.092 20 0 FGADRP C[C@H]([NH2+]C1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1)c1cccc(Cl)c1 ZINC000996603554 765019743 /nfs/dbraw/zinc/01/97/43/765019743.db2.gz ONIWGZRILAYLPG-QMTMVMCOSA-N 2 0 363.933 3.322 20 0 FGADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCC[NH+](Cc3cc(C)sc3C)C2)CC[N@@H+]1C ZINC001007370167 765589272 /nfs/dbraw/zinc/58/92/72/765589272.db2.gz WNQYQCYNELILOJ-GBESFXJTSA-N 2 0 363.571 3.176 20 0 FGADRP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]2C[NH2+]Cc2cc(C)sc2C)CC[N@@H+]1C ZINC001045044680 766505659 /nfs/dbraw/zinc/50/56/59/766505659.db2.gz QPDCYUULDGYRLG-GBESFXJTSA-N 2 0 363.571 3.176 20 0 FGADRP C[C@@H]1[C@H](C(=O)NC[C@H]2CC[C@H](C[NH2+]Cc3ccsc3)CC2)CC[N@@H+]1C ZINC001048607474 766723902 /nfs/dbraw/zinc/72/39/02/766723902.db2.gz CZDNJXOERMFNGR-YWTNHNAXSA-N 2 0 363.571 3.101 20 0 FGADRP CC(C)Oc1ccc(C[NH+]2CCC(N3CC[NH+](C(C)C)CC3)CC2)cc1 ZINC000270492227 257373560 /nfs/dbraw/zinc/37/35/60/257373560.db2.gz AUVYGAOTJQGCRB-UHFFFAOYSA-N 2 0 359.558 3.464 20 0 FGADRP C[C@H]([NH2+][C@@H](CC(N)=O)c1ccccc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000293555316 257380183 /nfs/dbraw/zinc/38/01/83/257380183.db2.gz FLQSRXSSCODFFR-WMQCIHAUSA-N 2 0 351.494 3.103 20 0 FGADRP CC(C)[C@@H](C[NH2+][C@@H](C)c1sccc1Br)N1CCN(C)CC1 ZINC000040770316 494146108 /nfs/dbraw/zinc/14/61/08/494146108.db2.gz XKGCULNWRQJGSM-DZGCQCFKSA-N 2 0 374.392 3.433 20 0 FGADRP CC[C@@H](C)[N@H+](C)CCNC(=O)NC[C@@H]1CCCC[NH+](Cc2ccccc2)C1 ZINC000573651572 505587454 /nfs/dbraw/zinc/58/74/54/505587454.db2.gz KPPBWUZYQLRUJQ-CTNGQTDRSA-N 2 0 374.573 3.318 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)N1CCC(CC[NH3+])CC1 ZINC000568053148 505604310 /nfs/dbraw/zinc/60/43/10/505604310.db2.gz SRKJLQKGGFGIMI-GOSISDBHSA-N 2 0 372.557 3.331 20 0 FGADRP C[C@@H](c1cccc(Br)c1)[N@H+](C)CCCN(C)CC[NH+](C)C ZINC000573721307 505604311 /nfs/dbraw/zinc/60/43/11/505604311.db2.gz JMAMARFKGIMVFY-HNNXBMFYSA-N 2 0 356.352 3.325 20 0 FGADRP COc1ccc(C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)cc1Br ZINC000573723296 505604653 /nfs/dbraw/zinc/60/46/53/505604653.db2.gz PGSOGXVUMLPLTF-OAHLLOKOSA-N 2 0 353.304 3.279 20 0 FGADRP CC(C)C[N@@H+]1CC[C@@H](C[NH2+]C[C@H](O)COc2cccc3ccccc32)C1 ZINC000579703235 505605374 /nfs/dbraw/zinc/60/53/74/505605374.db2.gz GVXMKVCFYYKHFR-ICSRJNTNSA-N 2 0 356.510 3.147 20 0 FGADRP CC1CC[NH+]([C@H](CNC(=O)C[N@@H+]2CCC(C)(C)C2)c2cccs2)CC1 ZINC000570896134 505605644 /nfs/dbraw/zinc/60/56/44/505605644.db2.gz LDAUGQUKXZVJOV-QGZVFWFLSA-N 2 0 363.571 3.369 20 0 FGADRP C[NH+](C)CCCC[NH2+][C@@H]1CCc2ccc(I)cc21 ZINC000595016130 507356018 /nfs/dbraw/zinc/35/60/18/507356018.db2.gz QPPBTOGAIIIMSQ-OAHLLOKOSA-N 2 0 358.267 3.210 20 0 FGADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC000579746308 505611453 /nfs/dbraw/zinc/61/14/53/505611453.db2.gz OCLJPIBLZNSBMI-AVRDEDQJSA-N 2 0 365.521 3.041 20 0 FGADRP CCCOc1ccc(Br)cc1CN1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000573801702 505624294 /nfs/dbraw/zinc/62/42/94/505624294.db2.gz KEANSWMNFTZREB-HIFRSBDPSA-N 2 0 353.304 3.279 20 0 FGADRP CN(C(=O)Nc1cccc2c1CC[NH2+]C2)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000576925932 505626228 /nfs/dbraw/zinc/62/62/28/505626228.db2.gz WYVNIVNCLMOVOH-LJQANCHMSA-N 2 0 364.493 3.071 20 0 FGADRP C[C@@H](CC(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)C)C1CC[NH2+]CC1 ZINC000579829484 505628419 /nfs/dbraw/zinc/62/84/19/505628419.db2.gz MOTHSSZBCXPXQH-KBXCAEBGSA-N 2 0 351.922 3.085 20 0 FGADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)[C@H]1C[NH2+]Cc2ccccc21)c1ccccc1 ZINC000579828740 505628484 /nfs/dbraw/zinc/62/84/84/505628484.db2.gz NLDGVMDBWFVLJK-UZLBHIALSA-N 2 0 351.494 3.119 20 0 FGADRP Cc1ccc(OC[C@@H](O)C[NH2+]Cc2ccc(F)c(C[NH+](C)C)c2)c(C)c1 ZINC000576936187 505628568 /nfs/dbraw/zinc/62/85/68/505628568.db2.gz LNXUVHBJXAHWBR-IBGZPJMESA-N 2 0 360.473 3.034 20 0 FGADRP C[N@@H+]1CCN(C[C@H]2C[NH+](Cc3ccccc3)CCCO2)CC12CCCCC2 ZINC000568178092 505635835 /nfs/dbraw/zinc/63/58/35/505635835.db2.gz GWHZCYDNMILLJL-JOCHJYFZSA-N 2 0 371.569 3.228 20 0 FGADRP CC(=O)c1ccccc1NC(=O)CCC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000571101863 505654045 /nfs/dbraw/zinc/65/40/45/505654045.db2.gz OSPPOOLRUIZIAK-FXAWDEMLSA-N 2 0 357.498 3.024 20 0 FGADRP [NH3+][C@H](CCC(=O)N1CC[NH2+]C[C@H]1c1cccc(Cl)c1)c1ccccc1 ZINC000573942168 505656937 /nfs/dbraw/zinc/65/69/37/505656937.db2.gz JFNSXISPGLYRGH-MOPGFXCFSA-N 2 0 357.885 3.293 20 0 FGADRP CC1(C)C[NH2+]CC[C@H]1NCC(=O)N[C@H](c1ccc(F)cc1)C1CCCC1 ZINC000577086709 505661337 /nfs/dbraw/zinc/66/13/37/505661337.db2.gz AVBPKZYFVCNSNR-QUCCMNQESA-N 2 0 361.505 3.151 20 0 FGADRP C[C@H]([NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(Br)cn1 ZINC000580024608 505663913 /nfs/dbraw/zinc/66/39/13/505663913.db2.gz FHOQYVBWOTVHCV-ZNMIVQPWSA-N 2 0 370.335 3.384 20 0 FGADRP C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)N2CCC[C@@H](C[NH3+])C2)c1 ZINC000574038807 505679573 /nfs/dbraw/zinc/67/95/73/505679573.db2.gz OWIRQJOCCPKUCV-FQEVSTJZSA-N 2 0 351.494 3.130 20 0 FGADRP O=C(CC[NH+]1CCC(C[NH+]2CCCC2)CC1)N[C@H]1CCCc2ccccc21 ZINC000047972983 493767938 /nfs/dbraw/zinc/76/79/38/493767938.db2.gz NKILCAXTWXBURK-QFIPXVFZSA-N 2 0 369.553 3.378 20 0 FGADRP CCc1ccc(CN(C)C(=O)C[NH+]2CCC(C[NH+]3CCCC3)CC2)cc1 ZINC000047971362 493768373 /nfs/dbraw/zinc/76/83/73/493768373.db2.gz NKIFVWJYFUBLGX-UHFFFAOYSA-N 2 0 357.542 3.015 20 0 FGADRP C[NH+](C)Cc1cccc(CNC(=O)NCCC[N@H+](C)Cc2ccccc2)c1 ZINC000048193571 493800041 /nfs/dbraw/zinc/80/00/41/493800041.db2.gz AQLCTZSBCDTMHC-UHFFFAOYSA-N 2 0 368.525 3.070 20 0 FGADRP C[C@H](CC(=O)N[C@@H]1CCN(C)[C@H]1c1ccc(Cl)cc1)[C@@H]1CCC[NH2+]C1 ZINC000568388230 505682566 /nfs/dbraw/zinc/68/25/66/505682566.db2.gz LAWDBCSEIKTEET-ODZKNYGOSA-N 2 0 363.933 3.227 20 0 FGADRP C[C@@H](CC[NH+](C)C)NC(=O)NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000068597347 493846409 /nfs/dbraw/zinc/84/64/09/493846409.db2.gz AUOQBHJRGCXOPA-ROUUACIJSA-N 2 0 360.546 3.058 20 0 FGADRP C[NH+](C)[C@H](CNC(=O)[C@H]1CCC[N@@H+]1Cc1ccccc1)c1cccs1 ZINC000050024757 493891526 /nfs/dbraw/zinc/89/15/26/493891526.db2.gz WIFFQQMRRGTFFD-QZTJIDSGSA-N 2 0 357.523 3.132 20 0 FGADRP C[NH+](C)[C@@H](CNC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccsc1 ZINC000050028921 493893246 /nfs/dbraw/zinc/89/32/46/493893246.db2.gz AOUQWEDFNWNRCP-QUCCMNQESA-N 2 0 371.550 3.379 20 0 FGADRP C[C@@H]1C[N@@H+](CC2CC[NH+](CCOc3cccc(F)c3)CC2)C[C@H](C)O1 ZINC000060368502 493927749 /nfs/dbraw/zinc/92/77/49/493927749.db2.gz OBKWKRLFZVBWAI-CALCHBBNSA-N 2 0 350.478 3.026 20 0 FGADRP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000006615758 493970092 /nfs/dbraw/zinc/97/00/92/493970092.db2.gz NEHHKYOVRZSLRP-UHFFFAOYSA-N 2 0 365.949 3.256 20 0 FGADRP CCCC[N@H+](C)CC1CC[NH+](CC(=O)N(C)Cc2ccc(F)cc2)CC1 ZINC000052209168 494011482 /nfs/dbraw/zinc/01/14/82/494011482.db2.gz UUENLCFQOUUKGI-UHFFFAOYSA-N 2 0 363.521 3.228 20 0 FGADRP C[NH+](C)CCN(Cc1cccs1)C(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000084412960 494071538 /nfs/dbraw/zinc/07/15/38/494071538.db2.gz CDDXBSYKEIRDBR-UHFFFAOYSA-N 2 0 366.575 3.086 20 0 FGADRP CC(C)[C@H](CNC(=O)NC1CC[NH+](Cc2ccccc2)CC1)[NH+]1CCCC1 ZINC000077412713 494078318 /nfs/dbraw/zinc/07/83/18/494078318.db2.gz TZFSBDBHBWOLOI-NRFANRHFSA-N 2 0 372.557 3.071 20 0 FGADRP C[C@H](c1cc2ccccc2o1)N(C)C(=O)C[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000577280663 505699508 /nfs/dbraw/zinc/69/95/08/505699508.db2.gz CPUDEEUIBGGVGA-QRQLOZEOSA-N 2 0 369.509 3.274 20 0 FGADRP CC[N@H+](C)Cc1cccc(CNC(=O)N2CC[NH+](CCC(C)(C)C)CC2)c1 ZINC000064229294 494107311 /nfs/dbraw/zinc/10/73/11/494107311.db2.gz JVDRUYMGHUOIBG-UHFFFAOYSA-N 2 0 374.573 3.402 20 0 FGADRP C[C@@H](NC(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1)C(C)(C)C[NH+](C)C ZINC000085365686 494117622 /nfs/dbraw/zinc/11/76/22/494117622.db2.gz RPWOBXRMFFYOQS-MJGOQNOKSA-N 2 0 360.546 3.099 20 0 FGADRP C[C@@H](NC(=O)NC[C@H](c1cccs1)[NH+]1CCCC1)C(C)(C)C[NH+](C)C ZINC000085387482 494118212 /nfs/dbraw/zinc/11/82/12/494118212.db2.gz STEPAXXIZWRKPP-HZPDHXFCSA-N 2 0 366.575 3.161 20 0 FGADRP Brc1ccc(-c2c[nH]c(C[NH2+]CC[C@H]3CCC[NH2+]C3)n2)cc1 ZINC000574139062 505702758 /nfs/dbraw/zinc/70/27/58/505702758.db2.gz XNUOMJRLUNSTOH-CYBMUJFWSA-N 2 0 363.303 3.319 20 0 FGADRP CC(C)[NH+](CCNC(=O)NCC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1)C(C)C ZINC000065526614 494210338 /nfs/dbraw/zinc/21/03/38/494210338.db2.gz RADXJTIPDLOZQT-QZTJIDSGSA-N 2 0 354.583 3.161 20 0 FGADRP CC[N@H+](CCNC(=O)N1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1)C(C)C ZINC000073212430 494338700 /nfs/dbraw/zinc/33/87/00/494338700.db2.gz RXSHYKMSGHJNMP-RBUKOAKNSA-N 2 0 352.567 3.013 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)NCC[NH+](C)C2CCCC2)C1 ZINC000073215597 494339403 /nfs/dbraw/zinc/33/94/03/494339403.db2.gz OAWBYIOBMRLNBC-MOPGFXCFSA-N 2 0 364.578 3.157 20 0 FGADRP CC1CC[NH+](CCCNC(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000078948171 494383258 /nfs/dbraw/zinc/38/32/58/494383258.db2.gz IGTFIYTVTLMQOY-IBGZPJMESA-N 2 0 352.567 3.062 20 0 FGADRP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCCC[NH+]1CCCCC1 ZINC000073536062 494384618 /nfs/dbraw/zinc/38/46/18/494384618.db2.gz NIGSHUUAGAHOAY-NRFANRHFSA-N 2 0 372.557 3.026 20 0 FGADRP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000044907391 494388348 /nfs/dbraw/zinc/38/83/48/494388348.db2.gz RGQPCUFTIVTNAD-KCZVDYSFSA-N 2 0 371.569 3.383 20 0 FGADRP CC(C)C[NH+]1CCC(NC(=O)NCc2ccccc2C[NH+]2CCCC2)CC1 ZINC000045190531 494405128 /nfs/dbraw/zinc/40/51/28/494405128.db2.gz JZAPHOIIJSKQPR-UHFFFAOYSA-N 2 0 372.557 3.202 20 0 FGADRP CC(C)[NH+]1CCC(C(=O)N(C)C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000073664043 494408596 /nfs/dbraw/zinc/40/85/96/494408596.db2.gz GIULDRORAQDWML-UHFFFAOYSA-N 2 0 357.542 3.230 20 0 FGADRP FC(F)(F)c1cnc(OCC[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c(Cl)c1 ZINC000090082440 494438528 /nfs/dbraw/zinc/43/85/28/494438528.db2.gz YODCPFWZVZNLFF-CHWSQXEVSA-N 2 0 363.811 3.349 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N(C)CC[C@H]1CCCC[N@@H+]1C)c1ccco1 ZINC000073898586 494445575 /nfs/dbraw/zinc/44/55/75/494445575.db2.gz AOTUYINVWGVNGO-QZTJIDSGSA-N 2 0 364.534 3.178 20 0 FGADRP Cc1c(Br)cccc1C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000090517778 494476061 /nfs/dbraw/zinc/47/60/61/494476061.db2.gz SOKNIJDOEHJYMC-UHFFFAOYSA-N 2 0 367.331 3.302 20 0 FGADRP CC[C@@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1ccc2c(c1)OCCO2 ZINC000090524588 494477963 /nfs/dbraw/zinc/47/79/63/494477963.db2.gz LRNDTDIBKYLQBI-AABGKKOBSA-N 2 0 374.525 3.266 20 0 FGADRP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)N2CCC(CC[NH+](C)C)CC2)C1 ZINC000079613325 494493035 /nfs/dbraw/zinc/49/30/35/494493035.db2.gz DLURXNIVOQVNAU-RTBURBONSA-N 2 0 366.594 3.118 20 0 FGADRP C[C@H](C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1)[NH+]1CCCCCC1 ZINC000074224671 494500886 /nfs/dbraw/zinc/50/08/86/494500886.db2.gz RVPSOGAQJBYWND-QGZVFWFLSA-N 2 0 361.505 3.171 20 0 FGADRP CC(C)[NH+]1CCC(C(=O)Nc2ccc(OCC[N@@H+]3CC[C@@H](C)C3)cc2)CC1 ZINC000074232976 494502269 /nfs/dbraw/zinc/50/22/69/494502269.db2.gz OJERTPUVYSYUJQ-GOSISDBHSA-N 2 0 373.541 3.466 20 0 FGADRP COc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1ccnc(OCC[NH+](C)C)c1 ZINC000090937021 494505130 /nfs/dbraw/zinc/50/51/30/494505130.db2.gz GCYGJDHWLQUFDC-HXUWFJFHSA-N 2 0 355.482 3.198 20 0 FGADRP CCCC[N@H+](C)CC1CC[NH+]([C@@H](C)C(=O)Nc2ccc(OC)cc2)CC1 ZINC000074319597 494518519 /nfs/dbraw/zinc/51/85/19/494518519.db2.gz DWWHRPDWTNTCFU-KRWDZBQOSA-N 2 0 361.530 3.466 20 0 FGADRP C[C@@H](C(=O)NCc1ccc(Cl)cc1)[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000056522443 494520012 /nfs/dbraw/zinc/52/00/12/494520012.db2.gz AOWBSSPKPACACT-HNNXBMFYSA-N 2 0 351.922 3.008 20 0 FGADRP CC[NH+](CC)CCCNC(=O)N1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000067381142 494527459 /nfs/dbraw/zinc/52/74/59/494527459.db2.gz RMAQZNBEOXQEAH-UHFFFAOYSA-N 2 0 374.573 3.272 20 0 FGADRP CC[NH+]1CCC(NC(=O)N2CCC(C[N@H+](C)Cc3ccccc3)CC2)CC1 ZINC000067383218 494527566 /nfs/dbraw/zinc/52/75/66/494527566.db2.gz WWTHXTFMWLFABP-UHFFFAOYSA-N 2 0 372.557 3.024 20 0 FGADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NC[C@@H](C)C[NH+]1CCCCC1 ZINC000067406923 494533913 /nfs/dbraw/zinc/53/39/13/494533913.db2.gz ZXESVQMMYXXFLL-LJQANCHMSA-N 2 0 374.573 3.402 20 0 FGADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NC[C@H](C)[NH+]1CCC(C)CC1 ZINC000067411630 494534712 /nfs/dbraw/zinc/53/47/12/494534712.db2.gz CRNRJODNXSDSTQ-IBGZPJMESA-N 2 0 374.573 3.400 20 0 FGADRP CC(C)[NH+](CCNC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)C(C)C ZINC000080055569 494577860 /nfs/dbraw/zinc/57/78/60/494577860.db2.gz SHLIEIQVHQUJBG-FPOVZHCZSA-N 2 0 374.573 3.458 20 0 FGADRP CC[NH+]1CCC(CCNC(=O)N2CC[C@@H]([N@H+](C)Cc3ccccc3)C2)CC1 ZINC000074714759 494581454 /nfs/dbraw/zinc/58/14/54/494581454.db2.gz DZKIWAOPTJYZLY-OAQYLSRUSA-N 2 0 372.557 3.024 20 0 FGADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](c1cccc(C(F)(F)F)c1)C1CC1 ZINC000091334810 494586091 /nfs/dbraw/zinc/58/60/91/494586091.db2.gz MQNQEGPOCGLCFL-RDTXWAMCSA-N 2 0 355.448 3.382 20 0 FGADRP C[NH+](C)CCNC(=O)c1ccc(C[NH2+][C@@H](c2ccccc2)C2CC2)cc1 ZINC000091375267 494589376 /nfs/dbraw/zinc/58/93/76/494589376.db2.gz IUNZFQNMLWUJCH-NRFANRHFSA-N 2 0 351.494 3.219 20 0 FGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@H](C)c2sc(C(C)C)nc2C)CC1 ZINC000121156108 494622942 /nfs/dbraw/zinc/62/29/42/494622942.db2.gz WTURMTKFGJAGOA-JKSUJKDBSA-N 2 0 352.592 3.499 20 0 FGADRP C[C@H](CNC(=O)NCc1ccccc1C[NH+]1CCCC1)C[NH+]1CCCCC1 ZINC000057042625 494628322 /nfs/dbraw/zinc/62/83/22/494628322.db2.gz CUCFUPDNJLDAAB-LJQANCHMSA-N 2 0 372.557 3.204 20 0 FGADRP Cc1ccc([C@H](CNC(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)[NH+]2CCCC2)cc1 ZINC000115813816 494628837 /nfs/dbraw/zinc/62/88/37/494628837.db2.gz APTJRHPKVSMNKG-CTNGQTDRSA-N 2 0 372.557 3.115 20 0 FGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H](C)c2ccccc2OC(F)F)CC1 ZINC000121218894 494653312 /nfs/dbraw/zinc/65/33/12/494653312.db2.gz MBHMNCVURAIKCZ-CVEARBPZSA-N 2 0 355.473 3.212 20 0 FGADRP Cc1ccc(C)c(C[NH2+]Cc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)c1 ZINC000108420615 494703589 /nfs/dbraw/zinc/70/35/89/494703589.db2.gz PDBAHBAOCDWARY-OAQYLSRUSA-N 2 0 365.521 3.291 20 0 FGADRP C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+]CC1CC[NH+](C)CC1 ZINC000126370782 494728504 /nfs/dbraw/zinc/72/85/04/494728504.db2.gz SZPZTVAIQHWMRK-CYBMUJFWSA-N 2 0 373.419 3.234 20 0 FGADRP C[C@@H]([NH2+]CCCN1CC[N@H+](C)C[C@@H]1c1ccccc1)c1ccc(F)cn1 ZINC000092738674 494734115 /nfs/dbraw/zinc/73/41/15/494734115.db2.gz UEEFWXBRXIEOGD-DYESRHJHSA-N 2 0 356.489 3.250 20 0 FGADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@@H]1CCCc2ccc(Br)cc21 ZINC000092747336 494736678 /nfs/dbraw/zinc/73/66/78/494736678.db2.gz GRPXBIWHTXAAPZ-KBXCAEBGSA-N 2 0 366.347 3.052 20 0 FGADRP C[N@@H+]1CCC[C@@H](CNC(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)C1 ZINC000108567447 494741646 /nfs/dbraw/zinc/74/16/46/494741646.db2.gz QNRCXDBTTFZLSL-NRFANRHFSA-N 2 0 372.557 3.204 20 0 FGADRP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)NC2CC[NH+](C3CC3)CC2)CC1 ZINC000116435234 494786295 /nfs/dbraw/zinc/78/62/95/494786295.db2.gz TTZXIIMSKRVHOM-KRWDZBQOSA-N 2 0 370.541 3.138 20 0 FGADRP COc1ccc(C[NH+]2CCC(C[NH2+][C@@H]3[C@H]4CCO[C@@H]4C34CCC4)CC2)cc1 ZINC000121526658 494792135 /nfs/dbraw/zinc/79/21/35/494792135.db2.gz QDVJDEPJDHHTPE-VSKRKVRLSA-N 2 0 370.537 3.454 20 0 FGADRP C[C@@H](C[NH2+][C@H]1CCCOc2cc3c(cc21)CCCC3)CN1CC[NH+](C)CC1 ZINC000126648869 494810381 /nfs/dbraw/zinc/81/03/81/494810381.db2.gz IKOUGHRIKMIWFS-AVRDEDQJSA-N 2 0 371.569 3.252 20 0 FGADRP C[NH+](C)CC[C@@H](NC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1)C(C)(C)C ZINC000116566963 494816869 /nfs/dbraw/zinc/81/68/69/494816869.db2.gz SQNFQJZQGNJEQS-QZTJIDSGSA-N 2 0 352.567 3.013 20 0 FGADRP C[NH+](C)CC[C@@H](NC(=O)N1CCC[C@@H]1C[NH+]1CCCCC1)C(C)(C)C ZINC000116565981 494817907 /nfs/dbraw/zinc/81/79/07/494817907.db2.gz VVYFHGXFOXVUDJ-QZTJIDSGSA-N 2 0 352.567 3.013 20 0 FGADRP O=C(C[NH+]1CCC(CCC[NH+]2CCCC2)CC1)NCc1ccccc1F ZINC000121609195 494818153 /nfs/dbraw/zinc/81/81/53/494818153.db2.gz BPGQKNHYVOULRT-UHFFFAOYSA-N 2 0 361.505 3.030 20 0 FGADRP O[C@@H](COc1ccc(F)cc1)C[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000121628304 494825164 /nfs/dbraw/zinc/82/51/64/494825164.db2.gz JDDZNQODYWMIJX-HXUWFJFHSA-N 2 0 364.505 3.153 20 0 FGADRP C[C@@H]([NH2+]Cc1ccc(CN2CC[NH+](C)CC2)cc1)c1ccc2c(c1)OCO2 ZINC000126745961 494831111 /nfs/dbraw/zinc/83/11/11/494831111.db2.gz PZEJEZRHMWMSJG-QGZVFWFLSA-N 2 0 367.493 3.014 20 0 FGADRP C[NH+](C)C1CCN(CC[NH2+][C@@H]2CCCOc3cc4c(cc32)CCCC4)CC1 ZINC000126769387 494834940 /nfs/dbraw/zinc/83/49/40/494834940.db2.gz YXEATFUHHFLKKF-JOCHJYFZSA-N 2 0 371.569 3.395 20 0 FGADRP CSc1ccc([C@@H](C)[NH2+]C[C@@H](C(C)C)N2CC[NH+](C)CC2)cc1F ZINC000132458080 494877553 /nfs/dbraw/zinc/87/75/53/494877553.db2.gz DRSXHDPRFBOKEC-QAPCUYQASA-N 2 0 353.551 3.470 20 0 FGADRP COc1cc([C@@H](C)[NH2+]C[C@@H](C(C)C)N2CC[NH+](C)CC2)ccc1SC ZINC000132522761 494887327 /nfs/dbraw/zinc/88/73/27/494887327.db2.gz SKRJNGLXSWBJJK-AEFFLSMTSA-N 2 0 365.587 3.340 20 0 FGADRP CC[NH+](CC)C[C@H]1CCN(Cc2ccccc2N(C)C2CC[NH+](C)CC2)C1 ZINC000093693410 494913709 /nfs/dbraw/zinc/91/37/09/494913709.db2.gz JMDYYLOFEDDLHY-HXUWFJFHSA-N 2 0 372.601 3.381 20 0 FGADRP C[C@@H](CC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1)[C@H]1CCC[NH2+]C1 ZINC000127270748 494920863 /nfs/dbraw/zinc/92/08/63/494920863.db2.gz BGTHCCZFAXBSSW-RXVVDRJESA-N 2 0 357.542 3.315 20 0 FGADRP CC(=O)Nc1ccccc1C[NH+]1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000093844427 494926968 /nfs/dbraw/zinc/92/69/68/494926968.db2.gz LPYQGWDYRMJQHW-HDICACEKSA-N 2 0 373.541 3.356 20 0 FGADRP COc1ccc(Cl)cc1C1(C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)CCOCC1 ZINC000574338980 505750376 /nfs/dbraw/zinc/75/03/76/505750376.db2.gz ISFYRCLPIMTMSU-HZPDHXFCSA-N 2 0 352.906 3.256 20 0 FGADRP C[C@H](C[NH2+][C@@H]1CCCc2nc(-c3ccccc3)sc21)N1CC[NH+](C)CC1 ZINC000127388107 494937652 /nfs/dbraw/zinc/93/76/52/494937652.db2.gz IPHGBKRDABCPLE-SJLPKXTDSA-N 2 0 370.566 3.413 20 0 FGADRP CC1CCN(CC[NH2+]Cc2ccccc2N(C)C2CC[NH+](C)CC2)CC1 ZINC000132993913 494954134 /nfs/dbraw/zinc/95/41/34/494954134.db2.gz ZHEIPRXNDOUDDG-UHFFFAOYSA-N 2 0 358.574 3.039 20 0 FGADRP C[C@H](C[NH2+][C@@H](C)[C@@H](C)Oc1ccc(Cl)cc1Cl)N1CC[NH+](C)CC1 ZINC000127563565 494962491 /nfs/dbraw/zinc/96/24/91/494962491.db2.gz RYMIUEFFMZPPAJ-QLFBSQMISA-N 2 0 374.356 3.375 20 0 FGADRP COc1cc(Br)c(C[NH+]2CCC([C@@H](C)[NH3+])CC2)cc1OC ZINC000110643628 494997680 /nfs/dbraw/zinc/99/76/80/494997680.db2.gz NXPIXHSUIPUADS-LLVKDONJSA-N 2 0 357.292 3.026 20 0 FGADRP C[C@@H](CNC(=O)NC1CC[NH+](C(C)(C)C)CC1)[N@H+](C)Cc1ccccc1 ZINC000111474119 495080006 /nfs/dbraw/zinc/08/00/06/495080006.db2.gz NWTSSQOJPOGMFS-KRWDZBQOSA-N 2 0 360.546 3.069 20 0 FGADRP C[C@H](CNC(=O)NC[C@@H](c1cccs1)[NH+](C)C)[N@H+](C)Cc1ccccc1 ZINC000111505142 495083651 /nfs/dbraw/zinc/08/36/51/495083651.db2.gz ZHLZNQIFFKUGKY-AEFFLSMTSA-N 2 0 374.554 3.171 20 0 FGADRP CC(=O)Nc1cccc(NC(=O)[C@@H](C)[NH+]2CCC(CCC[NH+](C)C)CC2)c1 ZINC000123370900 495121724 /nfs/dbraw/zinc/12/17/24/495121724.db2.gz ISAUIUDLLDULHC-MRXNPFEDSA-N 2 0 374.529 3.026 20 0 FGADRP C[C@H]1CCC[NH+](CCCCNC(=O)NCCCC[N@H+]2CCC[C@H](C)C2)C1 ZINC000128782316 495149948 /nfs/dbraw/zinc/14/99/48/495149948.db2.gz CKZFLWOMTBAQOB-PMACEKPBSA-N 2 0 366.594 3.310 20 0 FGADRP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)NC2CC[NH+](C3CCCC3)CC2)C1 ZINC000128839899 495157595 /nfs/dbraw/zinc/15/75/95/495157595.db2.gz PPWFZSXPTQCKAJ-SFHVURJKSA-N 2 0 364.578 3.061 20 0 FGADRP C[NH+](C)CCCC1CC[NH+](CC(=O)N2CCC[C@@H]2c2cccs2)CC1 ZINC000123601030 495158778 /nfs/dbraw/zinc/15/87/78/495158778.db2.gz LJPVUQTUHKKKMU-GOSISDBHSA-N 2 0 363.571 3.465 20 0 FGADRP C[NH+](C)C[C@@H](Cc1ccccc1)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000128851760 495158912 /nfs/dbraw/zinc/15/89/12/495158912.db2.gz QRPTYQLDXQDSDU-XMMPIXPASA-N 2 0 365.565 3.456 20 0 FGADRP C[C@@H]1C[C@@H]([NH2+]C[C@H](O)c2cccc(OCc3ccccc3)c2)CC[N@@H+]1C ZINC000123633726 495163505 /nfs/dbraw/zinc/16/35/05/495163505.db2.gz BCEHNENLPBYUSN-AGHHOFFYSA-N 2 0 354.494 3.371 20 0 FGADRP CC[NH+](CC)Cc1ccccc1CNC(=O)NCCC1CC[NH+](C)CC1 ZINC000103300710 495214886 /nfs/dbraw/zinc/21/48/86/495214886.db2.gz KUEZCHFZHQANNI-UHFFFAOYSA-N 2 0 360.546 3.060 20 0 FGADRP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CCC[C@@H](C(F)(F)F)C3)cn2)CC1 ZINC000129314551 495227806 /nfs/dbraw/zinc/22/78/06/495227806.db2.gz QTOXHXLAPRQRRY-IAGOWNOFSA-N 2 0 370.463 3.434 20 0 FGADRP C[C@@H]1OCC[C@@H]1[NH2+]Cc1ccccc1C[NH+]1CCN(c2ccccc2)CC1 ZINC000120133993 495313632 /nfs/dbraw/zinc/31/36/32/495313632.db2.gz SXVJSPNMBWWUQL-CVDCTZTESA-N 2 0 365.521 3.276 20 0 FGADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000113620856 495322030 /nfs/dbraw/zinc/32/20/30/495322030.db2.gz APOSJACQTSGNSL-NRFANRHFSA-N 2 0 372.557 3.167 20 0 FGADRP C[C@H]([NH2+]C1(CNC(=O)N2CC[C@@H](C[NH+](C)C)C2)CCCC1)c1ccccc1 ZINC000129992928 495324894 /nfs/dbraw/zinc/32/48/94/495324894.db2.gz FFEVDAWKYBUHEC-OALUTQOASA-N 2 0 372.557 3.243 20 0 FGADRP CCC(CC)(CNC(=O)N1CC[C@H](C[NH+](C)C)C1)[NH2+][C@@H](C)c1ccccc1 ZINC000129993348 495325791 /nfs/dbraw/zinc/32/57/91/495325791.db2.gz IFALLXDOFFUFPN-RBUKOAKNSA-N 2 0 374.573 3.489 20 0 FGADRP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000105134689 495339950 /nfs/dbraw/zinc/33/99/50/495339950.db2.gz BERYCLKKYGRIOD-VQTJNVASSA-N 2 0 364.578 3.301 20 0 FGADRP CC[C@@H](C)[C@H]1CN(Cc2ccc(C)nc2)CCN1CC[NH+]1CCCCC1 ZINC000135892606 495341456 /nfs/dbraw/zinc/34/14/56/495341456.db2.gz NGTQVOZSXZSOOZ-DENIHFKCSA-N 2 0 358.574 3.408 20 0 FGADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000105276431 495351536 /nfs/dbraw/zinc/35/15/36/495351536.db2.gz LMFCTLLGPOSNMW-OAQYLSRUSA-N 2 0 374.573 3.400 20 0 FGADRP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000571625010 505776525 /nfs/dbraw/zinc/77/65/25/505776525.db2.gz RYRKCXTXKCUGRL-RBUKOAKNSA-N 2 0 372.557 3.331 20 0 FGADRP C[N@@H+]1CCCC[C@H]1CCC(=O)N1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000568789889 505777536 /nfs/dbraw/zinc/77/75/36/505777536.db2.gz MMDGMCJCBGSHAK-GMAHTHKFSA-N 2 0 369.553 3.376 20 0 FGADRP CC(C)[NH+]1CCC(NC(=O)C[N@H+](Cc2ccccc2)[C@H](C)C2CC2)CC1 ZINC000114455167 495376856 /nfs/dbraw/zinc/37/68/56/495376856.db2.gz KQCIYQXTYAYSOY-GOSISDBHSA-N 2 0 357.542 3.276 20 0 FGADRP CC(C)[NH+]1CCC(NC(=O)C[N@H+](C2CC2)[C@@H]2CCc3ccccc32)CC1 ZINC000114455607 495376869 /nfs/dbraw/zinc/37/68/69/495376869.db2.gz ODMUOULKMGQCID-OAQYLSRUSA-N 2 0 355.526 3.127 20 0 FGADRP CC1CC[NH+](CCCCNC(=O)N2CC[NH+](C3CCCCC3)CC2)CC1 ZINC000136856656 495406239 /nfs/dbraw/zinc/40/62/39/495406239.db2.gz GYBGCFJMVUXVSO-UHFFFAOYSA-N 2 0 364.578 3.158 20 0 FGADRP Cc1cc([C@H](C)[NH2+]Cc2ccc(N3CC[NH+](C)CC3)nc2)cc(C)c1F ZINC000130539645 495407463 /nfs/dbraw/zinc/40/74/63/495407463.db2.gz GPRNFSVKBGETMR-KRWDZBQOSA-N 2 0 356.489 3.440 20 0 FGADRP COc1ccc([C@H](O)C[NH2+][C@H](C)c2ccc(OCC[NH+](C)C)cc2)cc1 ZINC000125356449 495431816 /nfs/dbraw/zinc/43/18/16/495431816.db2.gz IRLDLSPOXAMQSL-IIBYNOLFSA-N 2 0 358.482 3.020 20 0 FGADRP CCOc1ccccc1NC(=O)CC[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000137570152 495445403 /nfs/dbraw/zinc/44/54/03/495445403.db2.gz KOFZAWXJPKMFSX-SFHVURJKSA-N 2 0 359.514 3.364 20 0 FGADRP CC[NH+](CC)Cc1cccc(CNC(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)c1 ZINC000106528753 495463393 /nfs/dbraw/zinc/46/33/93/495463393.db2.gz PTIDKHDFSMBZHY-HXUWFJFHSA-N 2 0 372.557 3.345 20 0 FGADRP Cc1ccoc1C[NH+]1CCC(C(=O)NCC[N@@H+](C)Cc2ccccc2)CC1 ZINC000130907173 495465034 /nfs/dbraw/zinc/46/50/34/495465034.db2.gz ARKMWRYQGJRBPE-UHFFFAOYSA-N 2 0 369.509 3.048 20 0 FGADRP CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+]C[C@H](C)C[NH+]2CCCCC2)cc1 ZINC000125615727 495471696 /nfs/dbraw/zinc/47/16/96/495471696.db2.gz JGLBIVCHKFPWKN-IRXDYDNUSA-N 2 0 367.559 3.221 20 0 FGADRP CC(C)(C)c1nn(-c2ccccc2)cc1C[NH2+]CCCC[NH+]1CCOCC1 ZINC000131178024 495502227 /nfs/dbraw/zinc/50/22/27/495502227.db2.gz GWPQYBYGPUODSM-UHFFFAOYSA-N 2 0 370.541 3.372 20 0 FGADRP COc1ccc(Cl)cc1NC(=O)CC[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000158572767 495541371 /nfs/dbraw/zinc/54/13/71/495541371.db2.gz KLSPSKTUWYULIT-YOEHRIQHSA-N 2 0 365.905 3.093 20 0 FGADRP Cc1ccc(NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c(OCC[NH+](C)C)c1 ZINC000173476450 495548123 /nfs/dbraw/zinc/54/81/23/495548123.db2.gz CEKNUNUZOYAALA-AYHJJNSGSA-N 2 0 374.529 3.072 20 0 FGADRP CCC[N@H+](C)C[C@H]1CC[NH+](C[C@H](O)Cc2ccc(C(F)(F)F)cc2)C1 ZINC000154263319 495561689 /nfs/dbraw/zinc/56/16/89/495561689.db2.gz WHUOPOFIDLBMQG-SJLPKXTDSA-N 2 0 358.448 3.273 20 0 FGADRP C[C@H](NC(=O)NCc1cccc(C[NH+](C)C)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182444017 495566115 /nfs/dbraw/zinc/56/61/15/495566115.db2.gz DDOJEGUDKUBSNE-FXAWDEMLSA-N 2 0 372.557 3.200 20 0 FGADRP CCC[NH+]1CCC([N@H+](C)C[C@H](O)Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000154286251 495569845 /nfs/dbraw/zinc/56/98/45/495569845.db2.gz NDHWTMYKODPRFV-GOSISDBHSA-N 2 0 358.448 3.415 20 0 FGADRP C[NH+](C)CC1(CNC(=O)NCc2ccccc2C[NH+]2CCCC2)CCCC1 ZINC000185440155 495577217 /nfs/dbraw/zinc/57/72/17/495577217.db2.gz IKFQMIGJZMISGA-UHFFFAOYSA-N 2 0 372.557 3.204 20 0 FGADRP C[N@@H+]1CC[C@@H](NCC2([NH+]3CCCC3)CCOCC2)C[C@H]1c1ccccc1 ZINC000577775862 505790927 /nfs/dbraw/zinc/79/09/27/505790927.db2.gz XNTBBHNBSCYUPP-RTWAWAEBSA-N 2 0 357.542 3.057 20 0 FGADRP C[C@H]([NH2+]C[C@@]1(CO)C[C@H]1c1ccccc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000571694787 505792404 /nfs/dbraw/zinc/79/24/04/505792404.db2.gz NUSBOKRYIWMVSE-OFAXGOBFSA-N 2 0 368.521 3.444 20 0 FGADRP CCCC[NH+]1CCC(NC(=O)N[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)CC1 ZINC000182577018 495622498 /nfs/dbraw/zinc/62/24/98/495622498.db2.gz GRZBQRBRWACTDA-ROUUACIJSA-N 2 0 364.578 3.203 20 0 FGADRP O=C(Nc1cccc(C[NH+]2CCCCC2)c1)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC000154466085 495624057 /nfs/dbraw/zinc/62/40/57/495624057.db2.gz GRRIINVINIABOS-OAQYLSRUSA-N 2 0 371.525 3.254 20 0 FGADRP CC(C)[NH+]1CCC(NC(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)CC1 ZINC000170882753 495640409 /nfs/dbraw/zinc/64/04/09/495640409.db2.gz MDMYQUSQTMIITR-LJQANCHMSA-N 2 0 364.578 3.157 20 0 FGADRP C[C@@H]1CCc2c(F)cccc2[C@H]1[NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000159128777 495665944 /nfs/dbraw/zinc/66/59/44/495665944.db2.gz SYBQUUUWMQEYQU-ZHRRBRCNSA-N 2 0 368.500 3.386 20 0 FGADRP Cc1ccc(OC[C@H](O)C[NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c(C)c1 ZINC000185661598 495668398 /nfs/dbraw/zinc/66/83/98/495668398.db2.gz HMQGZNANVSNICT-QKNQBKEWSA-N 2 0 360.542 3.286 20 0 FGADRP C[C@H](N[C@@H]1CCN(c2ccccc2F)C1=O)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185693975 495682154 /nfs/dbraw/zinc/68/21/54/495682154.db2.gz IXCVMVRLZQXSHP-FRQCXROJSA-N 2 0 359.489 3.174 20 0 FGADRP CCC[NH+]1CCC(N(C)C(=O)NC[C@H](C(CC)CC)[NH+]2CCCC2)CC1 ZINC000171035077 495698717 /nfs/dbraw/zinc/69/87/17/495698717.db2.gz DEWKQXLMCFSZHI-HXUWFJFHSA-N 2 0 366.594 3.403 20 0 FGADRP CCC[NH+]1CCC(N(C)C(=O)NC[C@H](C(C)C)[NH+]2CCC(C)CC2)CC1 ZINC000171038212 495699085 /nfs/dbraw/zinc/69/90/85/495699085.db2.gz MQNIMOVHGNFSGU-HXUWFJFHSA-N 2 0 366.594 3.259 20 0 FGADRP COC(=O)c1ccccc1OCC[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185730949 495701437 /nfs/dbraw/zinc/70/14/37/495701437.db2.gz NOUJJJVFBXCWTG-IAGOWNOFSA-N 2 0 360.498 3.095 20 0 FGADRP COc1cc([C@H](C)[NH2+]C2CCN(CC[NH+](C)C)CC2)ccc1SC ZINC000150986632 495703668 /nfs/dbraw/zinc/70/36/68/495703668.db2.gz IAPSVRFVTZFMQB-HNNXBMFYSA-N 2 0 351.560 3.094 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc2ccn(C)c2c1 ZINC000173834553 495712802 /nfs/dbraw/zinc/71/28/02/495712802.db2.gz ZZJZIQLQOBSBGT-LJQANCHMSA-N 2 0 371.529 3.058 20 0 FGADRP C[NH+](C)[C@H]1CCC[C@@H](NC(=O)N(Cc2ccccc2)C2CC[NH+](C)CC2)C1 ZINC000176611210 495720184 /nfs/dbraw/zinc/72/01/84/495720184.db2.gz NEURQADTXBDVRC-CTNGQTDRSA-N 2 0 372.557 3.165 20 0 FGADRP COc1ccccc1-c1ccc(C[NH2+][C@@H](C)CCN2CC[NH+](C)CC2)cc1 ZINC000185881228 495763460 /nfs/dbraw/zinc/76/34/60/495763460.db2.gz MRUJSBFFVPFJKJ-IBGZPJMESA-N 2 0 367.537 3.478 20 0 FGADRP Cc1c([C@@H](C)[NH2+][C@H](C)CN2CC[NH+](C)CC2)cnn1-c1cc(C)ccc1C ZINC000154902230 495766587 /nfs/dbraw/zinc/76/65/87/495766587.db2.gz RPQKURMFAMCAJC-RTBURBONSA-N 2 0 369.557 3.084 20 0 FGADRP C[C@@H]([NH2+]Cc1cccc(C[NH2+][C@H](C)C2CCOCC2)c1)C1CCOCC1 ZINC000179877827 495768801 /nfs/dbraw/zinc/76/88/01/495768801.db2.gz IQGVOABCUIMSOW-QZTJIDSGSA-N 2 0 360.542 3.496 20 0 FGADRP COc1cccc(C[C@H]([NH2+][C@H](C)CN2CC[NH+](C)CC2)c2ccccc2)c1 ZINC000154936840 495777935 /nfs/dbraw/zinc/77/79/35/495777935.db2.gz DGWCLZHUVSRTJP-XXBNENTESA-N 2 0 367.537 3.205 20 0 FGADRP O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)N1CC[NH+](C2CCCCC2)CC1 ZINC000151283260 495793737 /nfs/dbraw/zinc/79/37/37/495793737.db2.gz ADGMTBJBVACVLX-IBGZPJMESA-N 2 0 374.529 3.076 20 0 FGADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H](C)[C@@H](C)Oc1ccc(Cl)cc1Cl ZINC000155010606 495802844 /nfs/dbraw/zinc/80/28/44/495802844.db2.gz OPCFYIGCIXEPKY-RBSFLKMASA-N 2 0 374.356 3.375 20 0 FGADRP Cc1nc2ccccc2nc1C[NH+]1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000171307223 495813394 /nfs/dbraw/zinc/81/33/94/495813394.db2.gz KXKOYMDQJLEVHV-IRXDYDNUSA-N 2 0 368.525 3.259 20 0 FGADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H]1CCCOc2c(Cl)c(Cl)ccc21 ZINC000155082114 495828579 /nfs/dbraw/zinc/82/85/79/495828579.db2.gz YBVIFVPDOPWSTR-CZUORRHYSA-N 2 0 372.340 3.433 20 0 FGADRP CC[NH+](CC)Cc1ccccc1CNC(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000174131003 495831026 /nfs/dbraw/zinc/83/10/26/495831026.db2.gz OEWSKKPUGOWPOJ-LJQANCHMSA-N 2 0 372.557 3.156 20 0 FGADRP COc1cc([C@H](C)[NH2+][C@H](C)CN2CC[NH+](C)CC2)ccc1SC(F)F ZINC000155104448 495837169 /nfs/dbraw/zinc/83/71/69/495837169.db2.gz JNPZWJULVFVPPO-KGLIPLIRSA-N 2 0 373.513 3.296 20 0 FGADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H](c2ccccc2)c2ccc(OC)cc2)CC1 ZINC000180118960 495866511 /nfs/dbraw/zinc/86/65/11/495866511.db2.gz BCYCNFKBXBEAFF-CVDCTZTESA-N 2 0 367.537 3.400 20 0 FGADRP CCN(CC)C(=O)CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000180126981 495869509 /nfs/dbraw/zinc/86/95/09/495869509.db2.gz GJZRIGNUQADAGK-SEJPIABJSA-N 2 0 357.542 3.420 20 0 FGADRP Cc1ccc(F)cc1C[NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000180182861 495894625 /nfs/dbraw/zinc/89/46/25/495894625.db2.gz GLKHGZLVHJBNFG-LJQANCHMSA-N 2 0 369.484 3.121 20 0 FGADRP C[C@H](C[NH2+][C@H](Cc1cccnc1)c1ccc(Cl)cc1)N1CC[NH+](C)CC1 ZINC000568937595 505812574 /nfs/dbraw/zinc/81/25/74/505812574.db2.gz IZBYWZUCJAREII-DYESRHJHSA-N 2 0 372.944 3.244 20 0 FGADRP C[C@H]1C[NH+](CCCC[NH2+]Cc2ccc(Oc3cnccn3)cc2)C[C@H](C)O1 ZINC000174414014 495948433 /nfs/dbraw/zinc/94/84/33/495948433.db2.gz VZYWLPHKXLZECP-ROUUACIJSA-N 2 0 370.497 3.248 20 0 FGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H](c2ccccc2)c2ccccn2)CC1 ZINC000180440404 495996476 /nfs/dbraw/zinc/99/64/76/495996476.db2.gz OEPKECOMJNEINA-KNQAVFIVSA-N 2 0 352.526 3.034 20 0 FGADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H](C)c2cc(C)ccc2OC(F)F)CC1 ZINC000155581561 496002328 /nfs/dbraw/zinc/00/23/28/496002328.db2.gz CLVOWCZRANWIAB-HZPDHXFCSA-N 2 0 355.473 3.273 20 0 FGADRP C[C@@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)c1ccc(Br)cc1 ZINC000177298327 496010465 /nfs/dbraw/zinc/01/04/65/496010465.db2.gz YLJUUSPNFXFZFE-OAHLLOKOSA-N 2 0 368.363 3.373 20 0 FGADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H](C)c2ccc(F)cc2Br)CC1 ZINC000155616814 496013499 /nfs/dbraw/zinc/01/34/99/496013499.db2.gz LEJFMYGEGUYTHJ-KBPBESRZSA-N 2 0 372.326 3.265 20 0 FGADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H](C)c2ccc(F)cc2Br)CC1 ZINC000155617125 496013789 /nfs/dbraw/zinc/01/37/89/496013789.db2.gz LEJFMYGEGUYTHJ-ZIAGYGMSSA-N 2 0 372.326 3.265 20 0 FGADRP COc1ccc([C@@H]([NH2+][C@H](C)CN2CC[NH+](C)CC2)c2ccccc2)cc1 ZINC000180496678 496021436 /nfs/dbraw/zinc/02/14/36/496021436.db2.gz RVGALXNQHUBCQD-GCJKJVERSA-N 2 0 353.510 3.010 20 0 FGADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H]1CCc2ccc(OC(F)(F)F)cc21 ZINC000186591272 496060623 /nfs/dbraw/zinc/06/06/23/496060623.db2.gz BUDUFSBDYSXDLK-RDTXWAMCSA-N 2 0 371.447 3.188 20 0 FGADRP CC(C)N1CC[C@H]([NH2+]Cc2ccccc2C[N@H+](C)Cc2ccco2)C1=O ZINC000177458661 496070182 /nfs/dbraw/zinc/07/01/82/496070182.db2.gz ZIBRXUMVZYLPSG-FQEVSTJZSA-N 2 0 355.482 3.011 20 0 FGADRP C[C@H]1C[NH+](CCC2CC[NH+](Cc3cccc4nccn43)CC2)C[C@H](C)O1 ZINC000180633278 496078316 /nfs/dbraw/zinc/07/83/16/496078316.db2.gz JNYUSUHOYHDQRL-ROUUACIJSA-N 2 0 356.514 3.046 20 0 FGADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]C1CCN(Cc2coc(-c3ccccc3)n2)CC1 ZINC000568974460 505822737 /nfs/dbraw/zinc/82/27/37/505822737.db2.gz ZCKZSJHKSTXREB-WIYYLYMNSA-N 2 0 368.525 3.413 20 0 FGADRP [NH3+]C1(CNC(=O)[C@H]2CCCC[C@@H]2C2CC2)CC[NH+](Cc2ccccc2)CC1 ZINC000577953909 505826418 /nfs/dbraw/zinc/82/64/18/505826418.db2.gz NVSGFDZCDHBWKE-RTWAWAEBSA-N 2 0 369.553 3.313 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)c1ccco1 ZINC000177699711 496163801 /nfs/dbraw/zinc/16/38/01/496163801.db2.gz LDYJNBQKFQEBPW-PKOBYXMFSA-N 2 0 361.530 3.433 20 0 FGADRP C[C@@H]([NH2+]C1CCN(c2ccccn2)CC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000156215500 496189755 /nfs/dbraw/zinc/18/97/55/496189755.db2.gz YNDBOHCTAPHEDH-GOSISDBHSA-N 2 0 368.525 3.342 20 0 FGADRP CC[NH+](CC)Cc1ccc(CNC(=O)NC[C@@H]2CC[N@H+](CC(C)C)C2)cc1 ZINC000156393581 496233250 /nfs/dbraw/zinc/23/32/50/496233250.db2.gz SCOBRKBBAWDJEU-NRFANRHFSA-N 2 0 374.573 3.306 20 0 FGADRP C[C@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1cc(Br)ccc1F ZINC000177883294 496237796 /nfs/dbraw/zinc/23/77/96/496237796.db2.gz XZZMTOJUDGLTPI-ZDUSSCGKSA-N 2 0 372.326 3.265 20 0 FGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]C[C@H](O)c2ccccc2Cl)[C@H](C)C1 ZINC000181101762 496270666 /nfs/dbraw/zinc/27/06/66/496270666.db2.gz FILMHHAJJCRGSP-LZQZEXGQSA-N 2 0 354.922 3.100 20 0 FGADRP C[NH+](C)Cc1c2ccccc2oc1C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000175172414 496277540 /nfs/dbraw/zinc/27/75/40/496277540.db2.gz NSAULUVVWQZNCH-UHFFFAOYSA-N 2 0 369.509 3.442 20 0 FGADRP C[C@H]1CCC[N@H+](CCCCNC(=O)N2CCC[NH+](C3CCCC3)CC2)C1 ZINC000172544239 496335900 /nfs/dbraw/zinc/33/59/00/496335900.db2.gz ZETIIWMCFYDWOY-IBGZPJMESA-N 2 0 364.578 3.158 20 0 FGADRP CCOc1ccc([C@H](C)NC(=O)CCC[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000181279549 496337660 /nfs/dbraw/zinc/33/76/60/496337660.db2.gz DIIFDLLYJHIVGN-AOIWGVFYSA-N 2 0 361.530 3.115 20 0 FGADRP COc1ccc(-c2ccncc2)cc1C[NH2+]CCCC[N@@H+]1CCC[C@@H]1CO ZINC000187229175 496349772 /nfs/dbraw/zinc/34/97/72/496349772.db2.gz KFAHTLDADWPCLK-OAQYLSRUSA-N 2 0 369.509 3.084 20 0 FGADRP C[C@@H]1C[N@@H+](CCCC[NH2+]Cc2cc(O)ccc2Br)C[C@H](C)O1 ZINC000178162616 496351835 /nfs/dbraw/zinc/35/18/35/496351835.db2.gz KCYGDGPMQPABJF-OKILXGFUSA-N 2 0 371.319 3.134 20 0 FGADRP C[C@@H]([NH2+]CCc1ccc2c(c1)OCCO2)c1cccc(OCC[NH+](C)C)c1 ZINC000178204704 496368797 /nfs/dbraw/zinc/36/87/97/496368797.db2.gz BFBVSSDETJYFJI-QGZVFWFLSA-N 2 0 370.493 3.292 20 0 FGADRP CC[NH+]1CCN(c2ccc(C(=O)Nc3ccc([C@H](C)[NH3+])cc3)cc2)CC1 ZINC000178220504 496375059 /nfs/dbraw/zinc/37/50/59/496375059.db2.gz YWBJKUIFGDVLFD-INIZCTEOSA-N 2 0 352.482 3.101 20 0 FGADRP CC[NH+]1CCN(c2cccc(NC(=O)[C@@H](C)[N@H+]3[C@H](C)CC[C@@H]3C)c2)CC1 ZINC000184508816 496417288 /nfs/dbraw/zinc/41/72/88/496417288.db2.gz JUSYTSMOPFCOCC-FGTMMUONSA-N 2 0 358.530 3.028 20 0 FGADRP C[C@@H]1C[N@@H+](CCCC[NH2+]C2CCN(CCc3ccccc3)CC2)C[C@H](C)O1 ZINC000162848525 496421508 /nfs/dbraw/zinc/42/15/08/496421508.db2.gz LCWSSZRXXQBCJL-OYRHEFFESA-N 2 0 373.585 3.173 20 0 FGADRP COc1ccc([C@H](C)[NH2+]CCCC[NH+]2C[C@H](C)O[C@@H](C)C2)c(OC)c1 ZINC000162872983 496427242 /nfs/dbraw/zinc/42/72/42/496427242.db2.gz OLRWETGAKULMEI-ULQDDVLXSA-N 2 0 350.503 3.244 20 0 FGADRP C[C@@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+]CCC[NH+]1CCCC1 ZINC000178414493 496447520 /nfs/dbraw/zinc/44/75/20/496447520.db2.gz VOJCFGOEGXLYIK-AWEZNQCLSA-N 2 0 373.419 3.378 20 0 FGADRP COc1ccccc1[C@@H](O)C[NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000178443642 496459018 /nfs/dbraw/zinc/45/90/18/496459018.db2.gz HHICXLQXQOGKNG-JXFKEZNVSA-N 2 0 358.482 3.020 20 0 FGADRP CC1(C(=O)NC2CC[NH+](C3CC3)CC2)CC[NH+](Cc2ccccc2)CC1 ZINC000184618286 496464945 /nfs/dbraw/zinc/46/49/45/496464945.db2.gz HDLHTRFZMSIRLX-UHFFFAOYSA-N 2 0 355.526 3.032 20 0 FGADRP CC(C)[NH2+]CCCNC(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000580823132 505846452 /nfs/dbraw/zinc/84/64/52/505846452.db2.gz IKIMXYDKDNBHLC-UHFFFAOYSA-N 2 0 360.546 3.250 20 0 FGADRP COCc1noc([C@H](C)N2CCC(C[N@H+](C)Cc3ccccc3)CC2)n1 ZINC000181702693 496508404 /nfs/dbraw/zinc/50/84/04/496508404.db2.gz VIMNGRHEUYTZAC-INIZCTEOSA-N 2 0 358.486 3.121 20 0 FGADRP CCC[NH+](CCC)CCCNC(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000175726552 496517713 /nfs/dbraw/zinc/51/77/13/496517713.db2.gz XNOZOTZGQXLWBO-UHFFFAOYSA-N 2 0 352.567 3.205 20 0 FGADRP C[NH+]1CCN(c2cc(C[NH2+]CCCCCOc3ccccc3)ccn2)CC1 ZINC000187673549 496530216 /nfs/dbraw/zinc/53/02/16/496530216.db2.gz JPONUYRVPHRNQC-UHFFFAOYSA-N 2 0 368.525 3.172 20 0 FGADRP C[C@@H](CCNC(=O)NCc1cccc(C[NH+]2CCCC2)c1)[NH+]1CCCCC1 ZINC000184818272 496544154 /nfs/dbraw/zinc/54/41/54/496544154.db2.gz OFTNLJOWFCXDAC-IBGZPJMESA-N 2 0 372.557 3.346 20 0 FGADRP Cc1cccc(N2CC[NH+](CCCC[NH2+][C@@H](C)c3nccnc3C)CC2)c1 ZINC000187732177 496550256 /nfs/dbraw/zinc/55/02/56/496550256.db2.gz GFEUFPUYANRGLB-IBGZPJMESA-N 2 0 367.541 3.346 20 0 FGADRP [NH3+][C@@H]1CCCCCC[C@@H]1C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000178731671 496553334 /nfs/dbraw/zinc/55/33/34/496553334.db2.gz HSFVRZPCTIPZSB-LEWJYISDSA-N 2 0 357.542 3.313 20 0 FGADRP Clc1ccc(C[C@H]2CCC[C@H]2[NH2+]Cc2nnc(C3CC[NH2+]CC3)[nH]2)cc1 ZINC000569095199 505851582 /nfs/dbraw/zinc/85/15/82/505851582.db2.gz JUBTXEWTILUWHE-SJLPKXTDSA-N 2 0 373.932 3.426 20 0 FGADRP [NH3+][C@H](CCC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)c1ccccc1 ZINC000163849701 496564832 /nfs/dbraw/zinc/56/48/32/496564832.db2.gz XKNMROSYHFIGRB-OAQYLSRUSA-N 2 0 351.494 3.379 20 0 FGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+][C@@H](C)CCCOC)CC1 ZINC000178770669 496565662 /nfs/dbraw/zinc/56/56/62/496565662.db2.gz NYEPXGGOYJZHCL-IRXDYDNUSA-N 2 0 351.510 3.433 20 0 FGADRP C[NH+]1CCN(c2cc(C[NH2+][C@@H]3CC[C@](C)(c4ccccc4)C3)ccn2)CC1 ZINC000187781378 496568967 /nfs/dbraw/zinc/56/89/67/496568967.db2.gz UWQUXKKSOUFKOP-GGAORHGYSA-N 2 0 364.537 3.433 20 0 FGADRP C[C@H](CC1CCOCC1)[NH2+]CCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000163938124 496571492 /nfs/dbraw/zinc/57/14/92/496571492.db2.gz FFCUYCLKMMPHMC-OAQYLSRUSA-N 2 0 373.585 3.379 20 0 FGADRP CCO[C@@H]1C[C@@H]([NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)C12CCCC2 ZINC000181860816 496575739 /nfs/dbraw/zinc/57/57/39/496575739.db2.gz OSBTWVQFOPOYBB-FGZHOGPDSA-N 2 0 372.553 3.471 20 0 FGADRP CCO[C@H]1C[C@H]([NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)C12CCCC2 ZINC000181860799 496575921 /nfs/dbraw/zinc/57/59/21/496575921.db2.gz OSBTWVQFOPOYBB-VXKWHMMOSA-N 2 0 372.553 3.471 20 0 FGADRP CC[NH+](CC)CCCC1CCN(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000571952056 505853989 /nfs/dbraw/zinc/85/39/89/505853989.db2.gz BLBMPDGXBBHFCW-WOJBJXKFSA-N 2 0 364.578 3.157 20 0 FGADRP CCC[N@H+](CC)CC(=O)NC[C@H](c1ccc(OC)cc1)[NH+]1CCCCC1 ZINC000574781455 505854225 /nfs/dbraw/zinc/85/42/25/505854225.db2.gz YJZCVKFGHHSMNL-HXUWFJFHSA-N 2 0 361.530 3.070 20 0 FGADRP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](CCCOCCc2ccccc2)CC1 ZINC000153924561 496625707 /nfs/dbraw/zinc/62/57/07/496625707.db2.gz VXAIEXKVCSAQIY-FGZHOGPDSA-N 2 0 373.585 3.126 20 0 FGADRP C[C@H](C(=O)NCc1cccc(C[NH+]2CCCC2)c1)[C@H]([NH3+])c1ccccc1 ZINC000164728852 496629581 /nfs/dbraw/zinc/62/95/81/496629581.db2.gz OBTPWHPNACEQCL-UWJYYQICSA-N 2 0 351.494 3.235 20 0 FGADRP O=C(NC1CC[NH+](C2CCCC2)CC1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000176014050 496642771 /nfs/dbraw/zinc/64/27/71/496642771.db2.gz HFSJWBNSOWXDPM-UHFFFAOYSA-N 2 0 362.562 3.053 20 0 FGADRP CC[C@@H](C)[C@H]([NH3+])C(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000167846131 496705857 /nfs/dbraw/zinc/70/58/57/496705857.db2.gz DFUAEFZYCVYATF-KDOFPFPSSA-N 2 0 351.922 3.042 20 0 FGADRP C[C@@H]([NH2+][C@H]1CCN(c2ncccc2F)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000168150982 496708931 /nfs/dbraw/zinc/70/89/31/496708931.db2.gz LGUMUMWUXYYRHG-AEFFLSMTSA-N 2 0 372.488 3.091 20 0 FGADRP COc1ccc2c(c1)[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO)CC2 ZINC000182225606 496713579 /nfs/dbraw/zinc/71/35/79/496713579.db2.gz BPEJVMKONJSOFQ-NFBKMPQASA-N 2 0 366.505 3.429 20 0 FGADRP C[C@H](NC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182345085 496730657 /nfs/dbraw/zinc/73/06/57/496730657.db2.gz ZWPMNHHKSFJTDA-JKSUJKDBSA-N 2 0 364.578 3.248 20 0 FGADRP CS[C@H]1CCCC[NH+](CC2(C[N@H+]3CCCC[C@H](SC)C3)COC2)C1 ZINC000182354694 496731101 /nfs/dbraw/zinc/73/11/01/496731101.db2.gz CAIDHYHLEMBAEU-ROUUACIJSA-N 2 0 372.644 3.438 20 0 FGADRP C[C@H](C(=O)N1c2ccccc2CC[C@@H]1C)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000246964871 496736952 /nfs/dbraw/zinc/73/69/52/496736952.db2.gz OJKDNOKXHUMHBC-KVPLUYHFSA-N 2 0 355.526 3.159 20 0 FGADRP C[NH2+]Cc1ccc(NC(=O)c2ccc(N3CC[NH+](C(C)C)CC3)cc2)cc1 ZINC000580894137 505862900 /nfs/dbraw/zinc/86/29/00/505862900.db2.gz AGDTWPSQUVCWQU-UHFFFAOYSA-N 2 0 366.509 3.189 20 0 FGADRP CCC(C)(C)[NH2+][C@H](C)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000273218801 496744052 /nfs/dbraw/zinc/74/40/52/496744052.db2.gz MRGCAQPCYPWWMO-VOBGVNJCSA-N 2 0 357.542 3.465 20 0 FGADRP c1cn(Cc2ccccc2)c(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)n1 ZINC000247008389 496750312 /nfs/dbraw/zinc/75/03/12/496750312.db2.gz XFMNDYQJCXXFMT-PZJWPPBQSA-N 2 0 350.510 3.380 20 0 FGADRP C[C@H]1[NH2+]CC[C@H]1C(=O)N(CCC[NH+](C)C)Cc1ccc(Cl)c(Cl)c1 ZINC000571996605 505866104 /nfs/dbraw/zinc/86/61/04/505866104.db2.gz NDYBMCVGHRWLML-UKRRQHHQSA-N 2 0 372.340 3.272 20 0 FGADRP C[C@H](CC(=O)Nc1ccc(F)cc1)[NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000247019898 496754176 /nfs/dbraw/zinc/75/41/76/496754176.db2.gz MUVQGGHLJLQJAA-BRWVUGGUSA-N 2 0 365.493 3.022 20 0 FGADRP CC(C)[NH+]1CCC(NC(=O)N2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)CC1 ZINC000247028947 496756710 /nfs/dbraw/zinc/75/67/10/496756710.db2.gz QWPONJCDNGIKOA-RTBURBONSA-N 2 0 364.578 3.155 20 0 FGADRP COc1ccc(Cl)cc1N1CC[C@H]([NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)C1 ZINC000247061976 496767541 /nfs/dbraw/zinc/76/75/41/496767541.db2.gz PONDWBPJYRNQDB-NXNVCVFFSA-N 2 0 351.922 3.246 20 0 FGADRP COc1cc2[nH]c(CCC[NH2+][C@@H]3C[C@@H](C)[N@H+](C)C[C@@H]3C)cc2c(OC)c1 ZINC000247120702 496785160 /nfs/dbraw/zinc/78/51/60/496785160.db2.gz PRQKYXAOBLFQNG-QMTMVMCOSA-N 2 0 359.514 3.436 20 0 FGADRP CC[N@@H+]1CC[C@H]([NH2+]CCCC[NH+]2CCN(c3cccc(C)c3)CC2)[C@@H](C)C1 ZINC000247140799 496791296 /nfs/dbraw/zinc/79/12/96/496791296.db2.gz SILJVOLGSNXUBW-GMAHTHKFSA-N 3 0 372.601 3.217 20 0 FGADRP COC[C@@H]1CCC[NH+](Cc2ccccc2C[N@H+]2CCC[C@@H](COC)C2)C1 ZINC000247146736 496792596 /nfs/dbraw/zinc/79/25/96/496792596.db2.gz YEPOFGYSAPNOBW-WOJBJXKFSA-N 2 0 360.542 3.403 20 0 FGADRP CCn1cc([C@H](C)[NH2+]Cc2ccc(OCC[NH+](CC)CC)c(OC)c2)cn1 ZINC000268843185 496801383 /nfs/dbraw/zinc/80/13/83/496801383.db2.gz IJCRCTPWLJXYGD-KRWDZBQOSA-N 2 0 374.529 3.483 20 0 FGADRP CC[N@H+](C)Cc1cccc(CNC(=O)N(C)[C@@H](C)C2CC[NH+](C)CC2)c1 ZINC000273444993 496807907 /nfs/dbraw/zinc/80/79/07/496807907.db2.gz HTWYTDPIEJRJHD-KRWDZBQOSA-N 2 0 360.546 3.010 20 0 FGADRP CC[N@H+](C)Cc1cccc(CNC(=O)N(C)[C@H](C)C2CC[NH+](C)CC2)c1 ZINC000273444994 496808496 /nfs/dbraw/zinc/80/84/96/496808496.db2.gz HTWYTDPIEJRJHD-QGZVFWFLSA-N 2 0 360.546 3.010 20 0 FGADRP C[C@@H]([NH2+]CCc1ccc(OCC[NH+](C)C)cc1)c1ccc([S@@](C)=O)cc1 ZINC000268870870 496810482 /nfs/dbraw/zinc/81/04/82/496810482.db2.gz KDUOBYFUBZMJTI-WGDIFIGCSA-N 2 0 374.550 3.258 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)NC[C@H]2CCC[NH+](C)C2)cc1 ZINC000247240743 496812577 /nfs/dbraw/zinc/81/25/77/496812577.db2.gz VGNPQBPWTBIBBT-WIYYLYMNSA-N 2 0 372.557 3.202 20 0 FGADRP Cc1cc(Br)cn2cc(CC[NH2+][C@H]3CC[N@H+](C)[C@H](C)C3)nc12 ZINC000273492682 496821476 /nfs/dbraw/zinc/82/14/76/496821476.db2.gz XDVNDQODGWXBFI-HIFRSBDPSA-N 2 0 365.319 3.020 20 0 FGADRP Cc1ccc(C[C@@H](CO)[NH2+][C@H](C)c2ccc(OCC[NH+](C)C)cc2)cc1 ZINC000191595063 496826354 /nfs/dbraw/zinc/82/63/54/496826354.db2.gz NOFRHDFYHKUACR-NQIIRXRSSA-N 2 0 356.510 3.190 20 0 FGADRP C[N@@H+]1CCC[C@H]2CN(C(=O)c3ccc(C[NH+]4CCCCC4)cc3)CC[C@H]21 ZINC000268972591 496839542 /nfs/dbraw/zinc/83/95/42/496839542.db2.gz ATZFHJXLBGEYST-LEWJYISDSA-N 2 0 355.526 3.229 20 0 FGADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H](C)c1ccc(OCc2nccn2C)cc1 ZINC000269060783 496861875 /nfs/dbraw/zinc/86/18/75/496861875.db2.gz KBYDXFJOGDKYCH-XLIONFOSSA-N 2 0 374.529 3.007 20 0 FGADRP COc1cccc(CNc2ccc(N3CCC([NH+](C)C)CC3)cn2)c1OC ZINC000269166720 496885533 /nfs/dbraw/zinc/88/55/33/496885533.db2.gz XCRXZSYCGCYICQ-UHFFFAOYSA-N 2 0 370.497 3.241 20 0 FGADRP CC[NH+]1CCN(c2ccccc2NC(=O)[C@@H](C)[C@H]([NH3+])c2ccccc2)CC1 ZINC000269245973 496903173 /nfs/dbraw/zinc/90/31/73/496903173.db2.gz DKKSRLHFLNBJQO-UWJYYQICSA-N 2 0 366.509 3.103 20 0 FGADRP CCc1nccn1[C@@H]1CCCN([C@H](C)C(=O)Nc2nc(C)c(C)s2)C1 ZINC000247805621 496917470 /nfs/dbraw/zinc/91/74/70/496917470.db2.gz SNJODEMDCQFGFT-UKRRQHHQSA-N 2 0 361.515 3.183 20 0 FGADRP CC(C)C[C@H](NC(=O)CN1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1)c1ccccc1 ZINC000248009989 496942980 /nfs/dbraw/zinc/94/29/80/496942980.db2.gz LEHJMGSNHMVDCW-ACRUOGEOSA-N 2 0 357.542 3.306 20 0 FGADRP Cc1cn2cc(NC(=O)N3CC[C@H](c4ccc(F)cc4)[C@@H]([NH3+])C3)ccc2n1 ZINC000569211120 505878458 /nfs/dbraw/zinc/87/84/58/505878458.db2.gz FWFLEDJLTNNCHO-MSOLQXFVSA-N 2 0 367.428 3.131 20 0 FGADRP O=C(CC[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1)NC1CCCC1 ZINC000248200197 496972581 /nfs/dbraw/zinc/97/25/81/496972581.db2.gz YKUAJWRSYRZHDQ-IFMALSPDSA-N 2 0 369.553 3.422 20 0 FGADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000248410509 497001043 /nfs/dbraw/zinc/00/10/43/497001043.db2.gz XZVGXXMNMQEQLW-SSGKUCQKSA-N 3 0 373.585 3.234 20 0 FGADRP C[C@H]([NH2+]C[C@@H](O)COc1ccc(Cl)cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248554112 497036861 /nfs/dbraw/zinc/03/68/61/497036861.db2.gz HPHGWECGPKZWOY-FRQCXROJSA-N 2 0 366.933 3.322 20 0 FGADRP CC(C)(C)C(=O)N1CCC(C[N@@H+]2CC[C@@H]3[C@@H](CCCN3C3CC3)C2)CC1 ZINC000248563299 497041233 /nfs/dbraw/zinc/04/12/33/497041233.db2.gz NUXKTRBALRCMTD-AZUAARDMSA-N 2 0 361.574 3.220 20 0 FGADRP COc1ccccc1[C@H](CNC(=O)c1ccc([C@H](C)[NH3+])cc1)[NH+]1CCCC1 ZINC000569216547 505881388 /nfs/dbraw/zinc/88/13/88/505881388.db2.gz LXNMMWYOPDFGGZ-JXFKEZNVSA-N 2 0 367.493 3.282 20 0 FGADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000574911190 505881999 /nfs/dbraw/zinc/88/19/99/505881999.db2.gz MOJJWFMXUVKHNC-XXHMAFKTSA-N 3 0 356.489 3.032 20 0 FGADRP C[C@H](C(=O)Nc1ccccc1C(F)(F)F)[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000569222080 505882328 /nfs/dbraw/zinc/88/23/28/505882328.db2.gz LXVCPLOJPQYHNF-HIFRSBDPSA-N 2 0 369.431 3.354 20 0 FGADRP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH2+][C@@H]4[C@@H]5CCO[C@@H]5C45CCC5)[C@H]3C2)cc1 ZINC000248722691 497088435 /nfs/dbraw/zinc/08/84/35/497088435.db2.gz MJQPIFTUYSZUNZ-LLTZGFESSA-N 2 0 352.522 3.444 20 0 FGADRP COc1cc([C@H](C)[NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)ccc1OC(F)F ZINC000278371208 497091311 /nfs/dbraw/zinc/09/13/11/497091311.db2.gz BXCLYNHXNDZCCE-CABCVRRESA-N 2 0 372.456 3.448 20 0 FGADRP C[C@@H]1C[NH+](Cc2ccccc2C[NH2+][C@H]2[C@H]3CCO[C@H]3C23CCC3)C[C@@H](C)O1 ZINC000248741482 497095454 /nfs/dbraw/zinc/09/54/54/497095454.db2.gz QYRUXWJFDDHRIH-YHXSNJQLSA-N 2 0 370.537 3.343 20 0 FGADRP C[C@H]1C[C@H](CCNC(=O)N2CCC(CC[NH3+])CC2)C[N@@H+]1Cc1ccccc1 ZINC000569231016 505884515 /nfs/dbraw/zinc/88/45/15/505884515.db2.gz ZUPNWPXKJQJXLP-RXVVDRJESA-N 2 0 372.557 3.058 20 0 FGADRP C[C@@]12CCC[N@@H+]1C[C@H](c1noc(-c3ccc(C[NH+]4CCCC4)cc3)n1)OC2 ZINC000578200224 505885286 /nfs/dbraw/zinc/88/52/86/505885286.db2.gz LADQFUNPOAICBC-NQIIRXRSSA-N 2 0 368.481 3.258 20 0 FGADRP CCOC(=O)N1CC[C@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000248828294 497113100 /nfs/dbraw/zinc/11/31/00/497113100.db2.gz GTSPNQWSAKCTJB-HAGHYFMRSA-N 2 0 357.498 3.002 20 0 FGADRP COc1ccc2c(c1)[C@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)CCS2 ZINC000248854378 497118581 /nfs/dbraw/zinc/11/85/81/497118581.db2.gz QSNQUGOGMFBSNV-MAUKXSAKSA-N 2 0 350.528 3.059 20 0 FGADRP CC[NH+]1CCN(CCCC[NH2+]Cc2c(F)cccc2Br)CC1 ZINC000192472649 497125376 /nfs/dbraw/zinc/12/53/76/497125376.db2.gz IQUUYHTUKFPZRT-UHFFFAOYSA-N 2 0 372.326 3.096 20 0 FGADRP C[C@H](C[NH2+][C@H](C)c1cc(Cl)c(N)c(Cl)c1)CN1CC[NH+](C)CC1 ZINC000270431745 497127204 /nfs/dbraw/zinc/12/72/04/497127204.db2.gz IFLATZPLAUENFA-CHWSQXEVSA-N 2 0 359.345 3.110 20 0 FGADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1cc(Cl)c(N)c(Cl)c1 ZINC000274638598 497135235 /nfs/dbraw/zinc/13/52/35/497135235.db2.gz QMOWEQUIDHJNFT-OLZOCXBDSA-N 2 0 359.345 3.252 20 0 FGADRP COc1cccc2c1CC[C@H]([NH2+][C@H]1CCN(Cc3ccccn3)C[C@@H]1C)C2 ZINC000248943772 497137854 /nfs/dbraw/zinc/13/78/54/497137854.db2.gz AEPKDQFXPKMWIR-JLMWRMLUSA-N 2 0 365.521 3.448 20 0 FGADRP O=C1Nc2ccccc2C12CCC([NH2+]CC1CC[NH+](C3CC3)CC1)CC2 ZINC000278511698 497140008 /nfs/dbraw/zinc/14/00/08/497140008.db2.gz RLJOQZVAQGPDKY-UHFFFAOYSA-N 2 0 353.510 3.283 20 0 FGADRP C[N@@H+]1CCC[C@H](CNC(=O)[C@](C)([NH3+])c2ccccc2)[C@H]1c1cccs1 ZINC000192537029 497143584 /nfs/dbraw/zinc/14/35/84/497143584.db2.gz XRKOHLGXBLCGHV-MOXGXCLJSA-N 2 0 357.523 3.121 20 0 FGADRP CCC[NH+]1CCN(c2ccccc2CN[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000236804243 497149091 /nfs/dbraw/zinc/14/90/91/497149091.db2.gz ADZOPEXJRWMQOZ-LEWJYISDSA-N 2 0 358.574 3.181 20 0 FGADRP CC(C)c1ccc([C@H]([NH3+])CNC(=O)C2(c3ccccc3)CC[NH2+]CC2)cc1 ZINC000236818115 497150730 /nfs/dbraw/zinc/15/07/30/497150730.db2.gz XMQKHUNEPAAOFG-OAQYLSRUSA-N 2 0 365.521 3.247 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)C[C@@H]([NH3+])c1ccccc1)Cc1ccccc1 ZINC000236823731 497151937 /nfs/dbraw/zinc/15/19/37/497151937.db2.gz GNXHXUCNGVTTCG-NHCUHLMSSA-N 2 0 353.510 3.146 20 0 FGADRP CCC(CC)(CNC(=O)C[C@@H]1CSCC[NH2+]1)[NH2+][C@@H](C)c1ccccc1 ZINC000236844697 497156209 /nfs/dbraw/zinc/15/62/09/497156209.db2.gz VEXLHFLRMZYRJK-FUHWJXTLSA-N 2 0 363.571 3.107 20 0 FGADRP CCCC[C@H](C[NH3+])NC(=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000236911172 497166778 /nfs/dbraw/zinc/16/67/78/497166778.db2.gz WVKZYXFXQUMTRK-SJLPKXTDSA-N 2 0 371.447 3.075 20 0 FGADRP CCc1nccn1[C@H]1CCCN([C@H](C)c2ccc(S(C)(=O)=O)cc2)C1 ZINC000249274110 497185953 /nfs/dbraw/zinc/18/59/53/497185953.db2.gz LLAHIVRNOMDRRA-WBVHZDCISA-N 2 0 361.511 3.247 20 0 FGADRP C[NH+](C)Cc1c2ccccc2oc1C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000237062027 497186102 /nfs/dbraw/zinc/18/61/02/497186102.db2.gz GSSSNNSZVNZCLI-UHFFFAOYSA-N 2 0 355.482 3.099 20 0 FGADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CCC[C@H]2C[C@@H](O)c2cccs2)CC1 ZINC000249301492 497190476 /nfs/dbraw/zinc/19/04/76/497190476.db2.gz SAJPEXBBCWGWOP-RBUKOAKNSA-N 2 0 365.587 3.052 20 0 FGADRP CC(C)[NH+]1CCN(CCC[NH+]2CCC(c3nc4ccccc4o3)CC2)CC1 ZINC000192720196 497194960 /nfs/dbraw/zinc/19/49/60/497194960.db2.gz HKVBTLRVQQMGQG-UHFFFAOYSA-N 2 0 370.541 3.423 20 0 FGADRP Cc1cnccc1OC1CC[NH+](Cc2cccc(C(=O)N(C)C)c2)CC1 ZINC000278738999 497205016 /nfs/dbraw/zinc/20/50/16/497205016.db2.gz WHXUHEIUDKGCKY-UHFFFAOYSA-N 2 0 353.466 3.135 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(C[NH+]3CCCCC3)cc2)[C@H](C)C1 ZINC000265946149 497214669 /nfs/dbraw/zinc/21/46/69/497214669.db2.gz JQMGSCIQJIHHTF-NQIIRXRSSA-N 2 0 357.542 3.475 20 0 FGADRP COc1cccc([C@H](CNC(=O)C[C@@H]([NH3+])c2ccccc2)[NH+]2CCCC2)c1 ZINC000237312939 497218237 /nfs/dbraw/zinc/21/82/37/497218237.db2.gz BANIWTOSCXOPLI-RTWAWAEBSA-N 2 0 367.493 3.038 20 0 FGADRP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000270921294 497226864 /nfs/dbraw/zinc/22/68/64/497226864.db2.gz JXEPNGSBPCIKMT-GOSISDBHSA-N 2 0 357.542 3.087 20 0 FGADRP COc1cccc2c1CCC[C@@H]2[NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000249640195 497230241 /nfs/dbraw/zinc/23/02/41/497230241.db2.gz XTXNRMWGLLEPIA-PWRODBHTSA-N 2 0 358.526 3.430 20 0 FGADRP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)[C@@H]1CC12CC[NH2+]CC2 ZINC000237520154 497249814 /nfs/dbraw/zinc/24/98/14/497249814.db2.gz CNSCVAMSUQNALV-PXNSSMCTSA-N 2 0 355.526 3.067 20 0 FGADRP C[C@H]([NH2+]C1(CNC(=O)[C@H]([NH3+])c2ccccc2)CCCC1)c1ccccc1 ZINC000237525916 497251233 /nfs/dbraw/zinc/25/12/33/497251233.db2.gz NZMKEBLFLUEKPV-FXAWDEMLSA-N 2 0 351.494 3.466 20 0 FGADRP Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)CCC1CC[NH2+]CC1 ZINC000237590580 497260532 /nfs/dbraw/zinc/26/05/32/497260532.db2.gz QDZJXKFKLPDQOZ-UHFFFAOYSA-N 2 0 361.555 3.262 20 0 FGADRP c1cnn([C@@H]2CCCC[C@@H]2[NH2+]CCC[NH2+][C@H]2CCCC[C@@H]2n2cccn2)c1 ZINC000251682747 497280649 /nfs/dbraw/zinc/28/06/49/497280649.db2.gz NSDLMROVQLUZEE-XSDIEEQYSA-N 2 0 370.545 3.317 20 0 FGADRP [NH3+][C@@H](CC(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1ccccc1 ZINC000237889252 497308208 /nfs/dbraw/zinc/30/82/08/497308208.db2.gz JMYVXIDRLQATOM-LPHOPBHVSA-N 2 0 357.523 3.166 20 0 FGADRP [NH3+][C@@H](CCC(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1)c1ccccc1 ZINC000237948750 497318297 /nfs/dbraw/zinc/31/82/97/497318297.db2.gz NMUBLWLVHHKKFB-LEWJYISDSA-N 2 0 351.494 3.420 20 0 FGADRP c1cncc(C[NH+](CCOCC[N@H+](Cc2cccnc2)C2CC2)C2CC2)c1 ZINC000271341119 497324286 /nfs/dbraw/zinc/32/42/86/497324286.db2.gz HHUFNXRYZJOSOM-UHFFFAOYSA-N 2 0 366.509 3.122 20 0 FGADRP [NH3+][C@H](C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1)c1ccccc1 ZINC000238009946 497327548 /nfs/dbraw/zinc/32/75/48/497327548.db2.gz ILRSQLDIHWSLEE-BDTNDASRSA-N 2 0 363.505 3.200 20 0 FGADRP [NH3+]C[C@@H](C(=O)NCc1ccccc1C[NH+]1CCCCC1)c1ccccc1 ZINC000238030176 497330432 /nfs/dbraw/zinc/33/04/32/497330432.db2.gz ZUHGDKZKEIIFJQ-OAQYLSRUSA-N 2 0 351.494 3.031 20 0 FGADRP Cc1cc(N2CCC([NH2+]CCCc3ccc4c(c3)CCO4)CC2)nc(C)n1 ZINC000193309942 497346226 /nfs/dbraw/zinc/34/62/26/497346226.db2.gz KQFRKDAUNRNHOS-UHFFFAOYSA-N 2 0 366.509 3.220 20 0 FGADRP c1cn(-c2ccccc2)nc1CC[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000572147879 505901450 /nfs/dbraw/zinc/90/14/50/505901450.db2.gz YAPJDRIXCBMUMF-FYYLOGMGSA-N 2 0 374.488 3.260 20 0 FGADRP C[NH+](C)CC1CCN(c2ccc(NC(=O)[C@@H]3CCC[N@@H+]3C3CC3)cc2)CC1 ZINC000279209918 497368903 /nfs/dbraw/zinc/36/89/03/497368903.db2.gz OZOJHDNKZOPQPO-NRFANRHFSA-N 2 0 370.541 3.030 20 0 FGADRP CC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)c1ccc(OC)c(OC)c1 ZINC000271551745 497381163 /nfs/dbraw/zinc/38/11/63/497381163.db2.gz VAJVLGIUQDUMRE-IPMKNSEASA-N 2 0 362.514 3.122 20 0 FGADRP C[NH+](C)CCc1ccccc1NC(=O)N(CC[NH+](C)C)Cc1cccs1 ZINC000275656236 497394424 /nfs/dbraw/zinc/39/44/24/497394424.db2.gz NJPUFPDIEXCXLT-UHFFFAOYSA-N 2 0 374.554 3.448 20 0 FGADRP CC[N@@H+]1CC[C@@H](N(C)CC(=O)Nc2cc(C)c(Cl)cc2OC)[C@@H](C)C1 ZINC000245424513 497398621 /nfs/dbraw/zinc/39/86/21/497398621.db2.gz KDOCJDKORXASOS-WMLDXEAASA-N 2 0 367.921 3.258 20 0 FGADRP CCCN(CCC[NH+](C)C)C(=O)N[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000190211783 497401425 /nfs/dbraw/zinc/40/14/25/497401425.db2.gz UPTHUHFDENMWNO-QZTJIDSGSA-N 2 0 352.567 3.013 20 0 FGADRP C[C@H](CC(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1)[C@H]1CCC[NH2+]C1 ZINC000261608301 497418382 /nfs/dbraw/zinc/41/83/82/497418382.db2.gz RUXOTQHUUKJONV-QUCCMNQESA-N 2 0 357.542 3.135 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)NC1CC[NH+](CC2CC2)CC1)c1ccccc1 ZINC000193619026 497429131 /nfs/dbraw/zinc/42/91/31/497429131.db2.gz XETPTVDRBPWZFT-OAQYLSRUSA-N 2 0 372.557 3.243 20 0 FGADRP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cc(-c2ccccc2)cs1 ZINC000261681728 497432217 /nfs/dbraw/zinc/43/22/17/497432217.db2.gz AHHBKGYTARSBEH-SFHVURJKSA-N 2 0 357.523 3.235 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)CC[C@@H]1CC[NH2+]C1)c1ccccc1Cl ZINC000261788475 497451409 /nfs/dbraw/zinc/45/14/09/497451409.db2.gz KDKDTHPTMXKRFB-CRAIPNDOSA-N 2 0 351.922 3.229 20 0 FGADRP C[C@H](NC(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+])[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261966811 497484130 /nfs/dbraw/zinc/48/41/30/497484130.db2.gz AXQUUYUONHIPPG-ALVUQRRPSA-N 2 0 369.553 3.167 20 0 FGADRP C[C@H](c1ccc2ccccc2c1)[N@H+](CCC(=O)N1CC[NH2+]CC1)C1CC1 ZINC000261978475 497486664 /nfs/dbraw/zinc/48/66/64/497486664.db2.gz BVCPVCPREFWRGT-QGZVFWFLSA-N 2 0 351.494 3.187 20 0 FGADRP CC[NH+](CC)[C@H](C)CNC(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000245652602 497489970 /nfs/dbraw/zinc/48/99/70/497489970.db2.gz CAWAJPFEYCRROI-JFIYKMOQSA-N 2 0 366.575 3.161 20 0 FGADRP CCOC(=O)N1CCC([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC000245665622 497494446 /nfs/dbraw/zinc/49/44/46/497494446.db2.gz GOZAPRZHRYXTST-WKCHPHFGSA-N 2 0 371.525 3.393 20 0 FGADRP O=C(NC1CC[NH+](C2CCCC2)CC1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000267165155 497494817 /nfs/dbraw/zinc/49/48/17/497494817.db2.gz RVTRXVYSDWKAMA-UHFFFAOYSA-N 2 0 355.526 3.419 20 0 FGADRP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+][C@H]2CCN(c4ccccn4)C2)C3)cc1 ZINC000245670574 497495074 /nfs/dbraw/zinc/49/50/74/497495074.db2.gz HHEFVXZJJJAXOS-MYGLTJDJSA-N 2 0 362.521 3.446 20 0 FGADRP O=C(CC[N@H+]1CCCC[C@@H]1c1ccccc1C(F)(F)F)N1CC[NH2+]CC1 ZINC000262120718 497511866 /nfs/dbraw/zinc/51/18/66/497511866.db2.gz NIUZBCUDVBSPQL-QGZVFWFLSA-N 2 0 369.431 3.054 20 0 FGADRP O=C(NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000279703047 497514006 /nfs/dbraw/zinc/51/40/06/497514006.db2.gz JPHOSOINZFDADX-IBGZPJMESA-N 2 0 361.917 3.047 20 0 FGADRP CC(C)(C)c1ccc(C[N@@H+]2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)s1 ZINC000262236930 497527564 /nfs/dbraw/zinc/52/75/64/497527564.db2.gz OQOPDPURJWHSPL-DOTOQJQBSA-N 2 0 363.571 3.126 20 0 FGADRP CC1(C)[C@H]([NH2+]CCc2ccc(OCC[NH+]3CCCC3)cc2)[C@H]2CCCO[C@H]21 ZINC000245868011 497554450 /nfs/dbraw/zinc/55/44/50/497554450.db2.gz IXSPJWNRIUFYGE-YPAWHYETSA-N 2 0 372.553 3.497 20 0 FGADRP CC[NH+]1CCN(Cc2ccccc2C[NH2+][C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)CC1 ZINC000245883062 497559152 /nfs/dbraw/zinc/55/91/52/497559152.db2.gz LENYTBJVOQXQHQ-BHDDXSALSA-N 2 0 371.569 3.117 20 0 FGADRP C([NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)[C@H]1CC[C@@H](c2nc(C3CC3)no2)O1 ZINC000569349579 505914585 /nfs/dbraw/zinc/91/45/85/505914585.db2.gz PKAPVBSJMFLQAQ-ILOCAZANSA-N 2 0 360.502 3.068 20 0 FGADRP C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000245917566 497570942 /nfs/dbraw/zinc/57/09/42/497570942.db2.gz NJCICFYZVHHBFJ-QRVBRYPASA-N 2 0 366.594 3.116 20 0 FGADRP CCO[C@@H]1C[C@H]([NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)C12CCCCC2 ZINC000245971092 497586867 /nfs/dbraw/zinc/58/68/67/497586867.db2.gz ZSCLKWUKCNPEOW-MXEMCNAFSA-N 2 0 364.574 3.472 20 0 FGADRP Cc1ccc([C@@H]([NH3+])C(=O)Nc2ccc3ccn(CC[NH+](C)C)c3c2)cc1 ZINC000262672122 497597426 /nfs/dbraw/zinc/59/74/26/497597426.db2.gz RZDFPJAHELOTCN-HXUWFJFHSA-N 2 0 350.466 3.150 20 0 FGADRP CN(c1ccccc1C[NH2+]CC1(C)CC[NH+](C)CC1)C1CC[NH+](C)CC1 ZINC000272394997 497617550 /nfs/dbraw/zinc/61/75/50/497617550.db2.gz AJMMNXGIQOYQDQ-UHFFFAOYSA-N 3 0 358.574 3.039 20 0 FGADRP CC[C@@H](C)[NH2+][C@H](CNC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)c1ccco1 ZINC000569373299 505919945 /nfs/dbraw/zinc/91/99/45/505919945.db2.gz POCOTVZTOHVYQN-GDBMZVCRSA-N 2 0 364.534 3.317 20 0 FGADRP C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@H]1C)[N@@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000246171975 497647606 /nfs/dbraw/zinc/64/76/06/497647606.db2.gz SKZWOZGCWLFELN-FQBWVUSXSA-N 2 0 358.530 3.145 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)[C@@](C)([NH3+])c1ccccc1)c1cccc(OC)c1 ZINC000262932349 497658850 /nfs/dbraw/zinc/65/88/50/497658850.db2.gz SWEBMJSJKZXPRN-IRLDBZIGSA-N 2 0 369.509 3.068 20 0 FGADRP Cc1ccc([C@H](CNC(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@H]2C)[NH+]2CCCC2)cc1 ZINC000268042119 497666579 /nfs/dbraw/zinc/66/65/79/497666579.db2.gz YNHUBPCPPRHFJE-NRSPTQNISA-N 2 0 372.557 3.114 20 0 FGADRP COc1ccc(C[N@@H+](CCc2ccccn2)CCn2ccnc2C)cc1 ZINC000280277098 497704810 /nfs/dbraw/zinc/70/48/10/497704810.db2.gz DEMKVXTXVKTVTR-UHFFFAOYSA-N 2 0 350.466 3.340 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@H](C(C)C)[NH+]2CCC(C)CC2)[C@@H](C)C1 ZINC000246392195 497718550 /nfs/dbraw/zinc/71/85/50/497718550.db2.gz JEQVRXKEUOBWSA-SLFFLAALSA-N 2 0 366.594 3.115 20 0 FGADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)NCCCC[NH+]2CCC[C@H](C)C2)C1 ZINC000246404606 497723215 /nfs/dbraw/zinc/72/32/15/497723215.db2.gz QICCZRLGASRNGR-VQTJNVASSA-N 2 0 366.594 3.166 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NCCCC[NH+]2C[C@H](C)C[C@H](C)C2)[C@@H](C)C1 ZINC000246427034 497731011 /nfs/dbraw/zinc/73/10/11/497731011.db2.gz MHITVUGLDPKZFK-YRPNKDGESA-N 2 0 366.594 3.116 20 0 FGADRP C[C@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)c1csc(Cl)c1 ZINC000191180814 497735562 /nfs/dbraw/zinc/73/55/62/497735562.db2.gz PJXFUIHEGYUAHC-ZDUSSCGKSA-N 2 0 350.919 3.399 20 0 FGADRP CC(C)[NH+]1CCC(O)(C[NH2+]Cc2csc(-c3cccs3)n2)CC1 ZINC000268405946 497743072 /nfs/dbraw/zinc/74/30/72/497743072.db2.gz FNALXJFALIPNCC-UHFFFAOYSA-N 2 0 351.541 3.197 20 0 FGADRP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000246546003 497769721 /nfs/dbraw/zinc/76/97/21/497769721.db2.gz WWPAWKMESDBCEW-VXKWHMMOSA-N 2 0 371.569 3.383 20 0 FGADRP C[C@@H]([NH2+][C@H]1CCCC1(C)C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000191298274 497773255 /nfs/dbraw/zinc/77/32/55/497773255.db2.gz QCYMKUCHVGJXME-XLIONFOSSA-N 2 0 357.542 3.324 20 0 FGADRP Cc1c([C@@H](C)[NH2+]CC2(N3CCCCC3)CC[NH+](C)CC2)cnn1C(C)C ZINC000191314496 497778862 /nfs/dbraw/zinc/77/88/62/497778862.db2.gz BYBYNICUFALOBX-GOSISDBHSA-N 2 0 361.578 3.373 20 0 FGADRP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C[C@@H]([NH3+])c1ccccc1 ZINC000246579370 497780087 /nfs/dbraw/zinc/78/00/87/497780087.db2.gz SBBPGSYGNYDTRT-RBBKRZOGSA-N 2 0 365.521 3.447 20 0 FGADRP C[C@H](CC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)[C@H]1CCC[NH2+]C1 ZINC000246704729 497802094 /nfs/dbraw/zinc/80/20/94/497802094.db2.gz WOCNUTYVFFAQDK-RMVXJAJNSA-N 2 0 357.542 3.182 20 0 FGADRP C[C@H](C(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]([NH3+])c1ccccc1 ZINC000246750985 497808071 /nfs/dbraw/zinc/80/80/71/497808071.db2.gz ZVZSKLIPLNJNEK-CZTZKLFOSA-N 2 0 365.521 3.303 20 0 FGADRP Cc1nn(-c2cc[nH+]cc2)cc1CN[C@H](C[NH+](C)C)c1ccc(F)cc1 ZINC000569498856 505949592 /nfs/dbraw/zinc/94/95/92/505949592.db2.gz FXGIOJXMXSZKJO-HXUWFJFHSA-N 2 0 353.445 3.107 20 0 FGADRP [NH3+]Cc1cn([C@@H]2CCC[N@H+](Cc3ccc(F)c(-c4cccs4)c3)C2)nn1 ZINC000578486601 505951789 /nfs/dbraw/zinc/95/17/89/505951789.db2.gz XSOFMGXDHOGOGP-MRXNPFEDSA-N 2 0 371.485 3.442 20 0 FGADRP C[C@@H](NC(=O)Nc1ccc2c(c1F)CC[NH2+]C2)[C@@H](c1ccccc1)[NH+](C)C ZINC000578502958 505956188 /nfs/dbraw/zinc/95/61/88/505956188.db2.gz WXSFYDBQZISGSI-VLIAUNLRSA-N 2 0 370.472 3.284 20 0 FGADRP CC(C)[C@@H]1OCCC[C@H]1Nc1nccc(N2CCC3(CCC[N@@H+]3C)CC2)n1 ZINC000330112681 498025606 /nfs/dbraw/zinc/02/56/06/498025606.db2.gz CEUQHCFCKNSVSW-MJGOQNOKSA-N 2 0 373.545 3.157 20 0 FGADRP C[C@H]([NH2+]C1(CNC(=O)N2CCC[C@@H](C[NH3+])C2)CCCC1)c1ccccc1 ZINC000575354346 505967031 /nfs/dbraw/zinc/96/70/31/505967031.db2.gz HFBLVVCTRWQLII-ROUUACIJSA-N 2 0 358.530 3.030 20 0 FGADRP C[NH+]1CCN(Cc2ccc(C[NH2+][C@@H](c3cncc(F)c3)C3CC3)cc2)CC1 ZINC000281162023 498038711 /nfs/dbraw/zinc/03/87/11/498038711.db2.gz HFYKCTIQPLCEQC-JOCHJYFZSA-N 2 0 368.500 3.209 20 0 FGADRP CC(=O)N1CCC[C@@H](C[NH2+]C2CCC([N@H+](C)Cc3ccccc3)CC2)C1 ZINC000285330037 498054094 /nfs/dbraw/zinc/05/40/94/498054094.db2.gz UFJIWCJRWWNBNI-HWELCPFYSA-N 2 0 357.542 3.278 20 0 FGADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+]CCNC(=O)c2ccco2)CC1 ZINC000285379541 498067406 /nfs/dbraw/zinc/06/74/06/498067406.db2.gz WIKOTJPEZWDJPI-UHFFFAOYSA-N 2 0 355.482 3.042 20 0 FGADRP O=C(CCN1CCCC[C@@H]1[C@@H]1CCC[NH2+]1)Nc1ccc(Cl)cc1F ZINC000572467979 505975611 /nfs/dbraw/zinc/97/56/11/505975611.db2.gz RMLFKYQVPFQXPZ-DLBZAZTESA-N 2 0 353.869 3.414 20 0 FGADRP CC[NH+]1CCN(Cc2ccc(C[NH2+]Cc3cn(C(C)C)nc3C)cc2)CC1 ZINC000281364457 498122051 /nfs/dbraw/zinc/12/20/51/498122051.db2.gz NLNRSXSQDOQFKT-UHFFFAOYSA-N 2 0 369.557 3.200 20 0 FGADRP COC(=O)c1csc([C@H](C)[NH2+]Cc2ccc(OCC[NH+](C)C)cc2)c1 ZINC000285559305 498129643 /nfs/dbraw/zinc/12/96/43/498129643.db2.gz HEAOUDPSHNHMJJ-AWEZNQCLSA-N 2 0 362.495 3.326 20 0 FGADRP C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000285586326 498138598 /nfs/dbraw/zinc/13/85/98/498138598.db2.gz BCQIPDJHMVWXCB-WIYYLYMNSA-N 2 0 355.526 3.371 20 0 FGADRP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000285586314 498138817 /nfs/dbraw/zinc/13/88/17/498138817.db2.gz BCQIPDJHMVWXCB-NQIIRXRSSA-N 2 0 355.526 3.371 20 0 FGADRP CCn1ccnc1[C@@H](C)[NH2+]CCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000296698875 498159601 /nfs/dbraw/zinc/15/96/01/498159601.db2.gz HNWUVPULQXORCE-GOSISDBHSA-N 2 0 356.514 3.271 20 0 FGADRP CC[N@H+](Cc1cnc(N2CCOCC2)s1)Cc1ccc(C[NH+](C)C)cc1 ZINC000289547292 498188385 /nfs/dbraw/zinc/18/83/85/498188385.db2.gz XJHVRZLIUUBLBQ-UHFFFAOYSA-N 2 0 374.554 3.063 20 0 FGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+]Cc2ccc(Sc3ccccn3)o2)CC1 ZINC000292936077 498202947 /nfs/dbraw/zinc/20/29/47/498202947.db2.gz IGDZYYUKJQENOZ-QGZVFWFLSA-N 2 0 374.554 3.189 20 0 FGADRP CCC(C)(C)[NH2+][C@H](C)C(=O)NC[C@H](c1ccc(SC)cc1)[NH+](C)C ZINC000569699051 505996637 /nfs/dbraw/zinc/99/66/37/505996637.db2.gz HUHVZOHBLZMXDL-RHSMWYFYSA-N 2 0 351.560 3.294 20 0 FGADRP COc1cc2c(cc1F)CC[C@@H]2[NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000281601304 498209030 /nfs/dbraw/zinc/20/90/30/498209030.db2.gz MGACJARNBYCAKU-XUVXKRRUSA-N 2 0 362.489 3.179 20 0 FGADRP C[N@@H+]1CCC[C@@H](CNC(=O)CCCC[NH3+])[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000581486900 505999400 /nfs/dbraw/zinc/99/94/00/505999400.db2.gz INBXPRHVAXFWSU-YJBOKZPZSA-N 2 0 371.447 3.334 20 0 FGADRP C[C@H]([NH2+][C@H]1C[C@@H](CO)c2ccccc21)c1cccc(OCC[NH+](C)C)c1 ZINC000364951865 498224308 /nfs/dbraw/zinc/22/43/08/498224308.db2.gz ICQHARGCDCLQIV-ZJBJCVSYSA-N 2 0 354.494 3.499 20 0 FGADRP C(CC[NH+]1CCCO[C@H]2CCC[C@H]21)CC[N@@H+]1CCCO[C@@H]2CCC[C@@H]21 ZINC000359870132 498226404 /nfs/dbraw/zinc/22/64/04/498226404.db2.gz LMWCVYULDMBYGC-UJOPUZHASA-N 2 0 350.547 3.444 20 0 FGADRP COc1ccc(C[NH+]2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)cc1OC(F)F ZINC000578738850 506009822 /nfs/dbraw/zinc/00/98/22/506009822.db2.gz FXFNSVFGNVCCOH-WBVHZDCISA-N 2 0 370.440 3.015 20 0 FGADRP CC[NH+](CC)Cc1cccc(C[NH2+]C2CCN(c3nnc(C)s3)CC2)c1 ZINC000360701769 498300693 /nfs/dbraw/zinc/30/06/93/498300693.db2.gz YFOCIARAYCUPSJ-UHFFFAOYSA-N 2 0 373.570 3.447 20 0 FGADRP COCCC[C@@H]([NH2+]C[C@H](C(C)C)N1CC[NH+](C)CC1)c1ccc(F)cc1 ZINC000281888306 498306496 /nfs/dbraw/zinc/30/64/96/498306496.db2.gz GVRNNRSYBOJKBJ-NHCUHLMSSA-N 2 0 365.537 3.155 20 0 FGADRP Cc1ccc2[nH]c3c(c2c1)CCC[C@H]3[NH2+]CCCC[NH+]1CCN(C)CC1 ZINC000572639406 506018115 /nfs/dbraw/zinc/01/81/15/506018115.db2.gz FLOVMJALWSQJOT-OAQYLSRUSA-N 2 0 354.542 3.471 20 0 FGADRP CC(C)C(=O)N1CCC([NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)CC1 ZINC000289984595 498381337 /nfs/dbraw/zinc/38/13/37/498381337.db2.gz YATSNUPKWJSSTL-CEMLEFRQSA-N 2 0 369.553 3.134 20 0 FGADRP c1nn(-c2ccccc2)cc1CC[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000581601907 506025470 /nfs/dbraw/zinc/02/54/70/506025470.db2.gz WZXSNVVTEPZVHU-GGAORHGYSA-N 2 0 374.488 3.260 20 0 FGADRP c1ccc(CN2CC[C@@H]([NH2+]CCCOC3CCOCC3)CC23CC3)cc1 ZINC000581607127 506026996 /nfs/dbraw/zinc/02/69/96/506026996.db2.gz JDAONRVCMRZNNZ-HXUWFJFHSA-N 2 0 358.526 3.359 20 0 FGADRP CCC[N@H+](C)[C@@H](CNC(=O)C1CC[NH+](C)CC1)c1ccc(Cl)cc1 ZINC000286477716 498410335 /nfs/dbraw/zinc/41/03/35/498410335.db2.gz VAWIBXWBDKBEHQ-SFHVURJKSA-N 2 0 351.922 3.181 20 0 FGADRP COc1cccc(OC)c1Oc1ccc(C[NH2+][C@H]2CCC[C@H]([NH3+])C2)cn1 ZINC000581617940 506029372 /nfs/dbraw/zinc/02/93/72/506029372.db2.gz KNDFUSUHLHDKIW-HOTGVXAUSA-N 2 0 357.454 3.251 20 0 FGADRP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)NCC[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000569846276 506029863 /nfs/dbraw/zinc/02/98/63/506029863.db2.gz HQDQXWGNNBYNQP-RTBURBONSA-N 2 0 372.557 3.243 20 0 FGADRP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNc2cc[nH+]cc2C(N)=O)C1 ZINC000302207892 498443069 /nfs/dbraw/zinc/44/30/69/498443069.db2.gz FKOHBKSMESMPBA-HZPDHXFCSA-N 2 0 352.482 3.271 20 0 FGADRP Fc1ccccc1N1CC[C@@H](C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000297472968 498461707 /nfs/dbraw/zinc/46/17/07/498461707.db2.gz RKCLNZDMXGLXCC-KRWDZBQOSA-N 2 0 354.473 3.306 20 0 FGADRP O=C([C@H]1CCC[N@@H+]1C1CC1)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000293824748 498501912 /nfs/dbraw/zinc/50/19/12/498501912.db2.gz AHMCLVAEBHNSDO-OAQYLSRUSA-N 2 0 367.537 3.128 20 0 FGADRP CC(=O)N1CCC[C@H](C[NH2+][C@H]2CCN(Cc3ccccc3)C3(CC3)C2)C1 ZINC000578890946 506045685 /nfs/dbraw/zinc/04/56/85/506045685.db2.gz BWDKPFXJJFTMAO-RTWAWAEBSA-N 2 0 355.526 3.032 20 0 FGADRP C[NH+](C)CCCOc1cnccc1C[NH2+][C@@H]1CCCNc2ccccc21 ZINC000290338906 498514547 /nfs/dbraw/zinc/51/45/47/498514547.db2.gz PIFKLNPFAKYEPH-HXUWFJFHSA-N 2 0 354.498 3.449 20 0 FGADRP C[C@H]1CN(Cc2ccccc2)C[C@H]1[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000297627960 498516208 /nfs/dbraw/zinc/51/62/08/498516208.db2.gz LUDQSTOJGDESBQ-PGRDOPGGSA-N 2 0 350.510 3.161 20 0 FGADRP C[N@@H+]1CCCN(CCC[NH2+][C@H]2CCc3sc(Br)cc32)CC1 ZINC000293889186 498523429 /nfs/dbraw/zinc/52/34/29/498523429.db2.gz VTUURLUYZUFXRY-AWEZNQCLSA-N 2 0 372.376 3.115 20 0 FGADRP C[C@H]([NH3+])[C@@H]1CCN(C(=O)NCc2ccccc2C[N@H+](C)C2CCCCC2)C1 ZINC000581715383 506051773 /nfs/dbraw/zinc/05/17/73/506051773.db2.gz YDXOWFBUWRZGOV-PKOBYXMFSA-N 2 0 372.557 3.330 20 0 FGADRP COc1cc(Br)c(CN(C)[C@H]2CC[N@H+](C)C[C@H]2C)cc1OC ZINC000290540097 498590167 /nfs/dbraw/zinc/59/01/67/498590167.db2.gz REUHYBSYBZVDBR-DOMZBBRYSA-N 2 0 371.319 3.238 20 0 FGADRP CC1CCC([NH+]2CCC(NC(=O)N(C)[C@@H]3CC[N@H+](C)[C@@H](C)C3)CC2)CC1 ZINC000365709726 498608518 /nfs/dbraw/zinc/60/85/18/498608518.db2.gz FLLRHUXDRSZUIK-CAOKTKFFSA-N 2 0 364.578 3.154 20 0 FGADRP C[C@H](CNC(=O)NCCCC[NH+]1C[C@@H](C)C[C@H](C)C1)[NH+]1CCC(C)CC1 ZINC000303067019 498646659 /nfs/dbraw/zinc/64/66/59/498646659.db2.gz NKBKGAWTJOFAPV-SLFFLAALSA-N 2 0 366.594 3.164 20 0 FGADRP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)C1 ZINC000303277909 498661223 /nfs/dbraw/zinc/66/12/23/498661223.db2.gz SXFIKRNKGYQEOF-RBUKOAKNSA-N 2 0 364.578 3.157 20 0 FGADRP CC(C)Oc1cccc(C[NH2+]C[C@H]2CCCN(C)[C@H]2c2cnn(C)c2)c1 ZINC000363177736 498688345 /nfs/dbraw/zinc/68/83/45/498688345.db2.gz XUPMNTRLLSPVLK-WIYYLYMNSA-N 2 0 356.514 3.380 20 0 FGADRP C[NH+](C)Cc1ccccc1C(=O)NC[C@@H]1CC[N@H+](C)[C@@H]1c1cccs1 ZINC000366001226 498725852 /nfs/dbraw/zinc/72/58/52/498725852.db2.gz NUFVMKNMCIRPCO-KXBFYZLASA-N 2 0 357.523 3.233 20 0 FGADRP CC(C)[C@H](C[NH2+]Cc1cc(Cl)sc1Cl)N1CC[NH+](C)CC1 ZINC000312612124 498761002 /nfs/dbraw/zinc/76/10/02/498761002.db2.gz KFEHDQDYZGVZTC-ZDUSSCGKSA-N 2 0 350.359 3.417 20 0 FGADRP COC(=O)c1ccc(C[NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)cc1 ZINC000313115931 498765888 /nfs/dbraw/zinc/76/58/88/498765888.db2.gz ZSEVLTPXKUEDOQ-YPAWHYETSA-N 2 0 364.489 3.473 20 0 FGADRP Cn1cc([C@@H]2[C@@H](C[NH2+][C@H]3CCCc4ccc(O)cc43)CCCN2C)cn1 ZINC000366081173 498766826 /nfs/dbraw/zinc/76/68/26/498766826.db2.gz ASWAUNAOSSKGFV-CZAAIQMYSA-N 2 0 354.498 3.176 20 0 FGADRP C[C@@H]1C[C@H](NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000291113140 498801060 /nfs/dbraw/zinc/80/10/60/498801060.db2.gz KOIBLAPAZFMQTC-HWHRFOGPSA-N 2 0 371.569 3.007 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCn2c(cnc2C2CCCCC2)C1 ZINC000332827796 498806542 /nfs/dbraw/zinc/80/65/42/498806542.db2.gz ZBMZONWECAFUEN-MSOLQXFVSA-N 2 0 358.530 3.094 20 0 FGADRP O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)[C@@H]1CCn2c(cnc2C2CCCCC2)C1 ZINC000332827682 498806897 /nfs/dbraw/zinc/80/68/97/498806897.db2.gz MDOPCBOTQSMJNF-RLLQIKCJSA-N 2 0 370.541 3.236 20 0 FGADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)[C@@H]1CCn2c(cnc2C2CCCCC2)C1 ZINC000332831849 498808282 /nfs/dbraw/zinc/80/82/82/498808282.db2.gz UGOXLXSWCMWTBY-WRWLIDTKSA-N 2 0 370.541 3.092 20 0 FGADRP [NH3+][C@@H]1CCCCC[C@H]1NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000581937850 506094724 /nfs/dbraw/zinc/09/47/24/506094724.db2.gz YKACNDAUIOKBAF-BHDDXSALSA-N 2 0 371.569 3.165 20 0 FGADRP Cc1cccc2oc(CC[NH2+][C@@H]3CC[N@@H+](C[C@@H]4CCCO4)C[C@@H]3C)nc21 ZINC000366209437 498824571 /nfs/dbraw/zinc/82/45/71/498824571.db2.gz KDAILCGKBBPRQE-OKZBNKHCSA-N 2 0 357.498 3.158 20 0 FGADRP C[C@H](NC(=O)c1ccc(CC[NH+](C)C)cc1)[C@H](c1ccccc1)[NH+](C)C ZINC000581953632 506099788 /nfs/dbraw/zinc/09/97/88/506099788.db2.gz UWPZSMWFOJGELK-LAUBAEHRSA-N 2 0 353.510 3.212 20 0 FGADRP CC[NH+](CC)[C@H](C)CNC(=O)NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000576201543 506100262 /nfs/dbraw/zinc/10/02/62/506100262.db2.gz BPYNOUBMXQXBRM-CTNGQTDRSA-N 2 0 374.573 3.318 20 0 FGADRP CC(C)C[C@H](CNC(=O)CCc1cncn1C)[NH2+][C@@H](C)c1ccccc1 ZINC000283382956 498868552 /nfs/dbraw/zinc/86/85/52/498868552.db2.gz MVSABDOIEQPSAK-PKOBYXMFSA-N 2 0 356.514 3.234 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H]1CCC2(CCOCC2)[C@@H]1O ZINC000283394500 498873137 /nfs/dbraw/zinc/87/31/37/498873137.db2.gz PVULMHRBIVAHGV-PSWRPDDJSA-N 2 0 372.553 3.054 20 0 FGADRP Cc1ccccc1[C@H]([NH3+])C(=O)Nc1cccc([C@@H](C)N2CCOCC2)c1 ZINC000295009472 498879300 /nfs/dbraw/zinc/87/93/00/498879300.db2.gz IUPMOWMOAGBELH-UZLBHIALSA-N 2 0 353.466 3.027 20 0 FGADRP C[C@H]1CCC[C@H]([NH+]2CCC([NH2+][C@H]3CCCO[C@@H]3c3cnn(C)c3)CC2)C1 ZINC000328623319 498879740 /nfs/dbraw/zinc/87/97/40/498879740.db2.gz BWPXGAVJMWBGGO-LRGNLBRXSA-N 2 0 360.546 3.273 20 0 FGADRP CN(c1ccccc1C[N@@H+]1CC[C@H](O)CC(C)(C)C1)C1CC[NH+](C)CC1 ZINC000295203038 498943003 /nfs/dbraw/zinc/94/30/03/498943003.db2.gz KKMUDWPCRFVXHZ-FQEVSTJZSA-N 2 0 359.558 3.200 20 0 FGADRP C[C@H]([NH2+][C@@H]1CCC[C@H]([NH3+])C1)c1ccc(Br)cc1OCCCO ZINC000573106506 506120262 /nfs/dbraw/zinc/12/02/62/506120262.db2.gz LEJANZZRZNHUEJ-AEGPPILISA-N 2 0 371.319 3.131 20 0 FGADRP Cc1csc(=O)n1CC[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000366582120 498988984 /nfs/dbraw/zinc/98/89/84/498988984.db2.gz NUSZFIQQUXKACA-UHFFFAOYSA-N 2 0 371.550 3.206 20 0 FGADRP Cc1nn(C)c(N2CCC[N@H+](C)CC2)c1C[NH2+][C@@H](C)[C@H](C)c1ccccc1 ZINC000363788813 498993601 /nfs/dbraw/zinc/99/36/01/498993601.db2.gz YCZJUKVZTNXMFM-ROUUACIJSA-N 2 0 369.557 3.152 20 0 FGADRP O=C(NCC1CC[NH+](Cc2cccs2)CC1)c1ccc2c[nH+]cn2c1 ZINC000283966206 499021424 /nfs/dbraw/zinc/02/14/24/499021424.db2.gz OFWACVFFSIGUDT-UHFFFAOYSA-N 2 0 354.479 3.038 20 0 FGADRP Brc1cnn(CC2CC[NH+](CCC[NH+]3CCCCC3)CC2)c1 ZINC000363939449 499059591 /nfs/dbraw/zinc/05/95/91/499059591.db2.gz OKGVCZRMIYGSQU-UHFFFAOYSA-N 2 0 369.351 3.234 20 0 FGADRP OC[C@@H]1CCC[N@@H+]1Cc1ccccc1CNc1nccc2cc(F)ccc21 ZINC000570276221 506130807 /nfs/dbraw/zinc/13/08/07/506130807.db2.gz RVLGUVBYNXSWJL-FQEVSTJZSA-N 2 0 365.452 3.365 20 0 FGADRP Cc1cc(NC(=O)[C@H](C)[NH2+][C@H](C)c2ccc(-n3ccnc3C)c(F)c2)on1 ZINC000364148806 499124417 /nfs/dbraw/zinc/12/44/17/499124417.db2.gz YSBSQKYWPYNFJW-OLZOCXBDSA-N 2 0 371.416 3.294 20 0 FGADRP CN(C(=O)c1ccc2c[nH+]cn2c1)c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000579263951 506132137 /nfs/dbraw/zinc/13/21/37/506132137.db2.gz OUHNKTPBTZYDIE-UHFFFAOYSA-N 2 0 364.449 3.086 20 0 FGADRP Cc1ccc(OCCC[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)cc1C ZINC000367027595 499136022 /nfs/dbraw/zinc/13/60/22/499136022.db2.gz GGJOUXVTUNTGMU-RBBKRZOGSA-N 2 0 359.558 3.030 20 0 FGADRP C[C@H]([NH2+]C[C@H]1CC[N@H+](C)[C@H]1c1ccccc1)c1ccc(S(C)(=O)=O)cc1 ZINC000369852762 499139427 /nfs/dbraw/zinc/13/94/27/499139427.db2.gz OMYZBEQLDZHEEJ-SCWSEQNSSA-N 2 0 372.534 3.434 20 0 FGADRP C[C@H]1CCCC[C@H]1[NH+]1CCC(N[C@H]2CCCO[C@@H]2c2nccn2C)CC1 ZINC000372537280 499142212 /nfs/dbraw/zinc/14/22/12/499142212.db2.gz BMUIGPMCDVQTHT-FFGOWVMKSA-N 2 0 360.546 3.273 20 0 FGADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CCC[C@@H](n3cnc4ccccc43)C2)CC1 ZINC000367064084 499142252 /nfs/dbraw/zinc/14/22/52/499142252.db2.gz BFWJSPSWJCOWKX-HXUWFJFHSA-N 2 0 369.557 3.089 20 0 FGADRP Cc1cccc(C[NH+]2CCC(NC(=O)N(C)[C@H]3CC[N@H+](C)[C@H](C)C3)CC2)c1 ZINC000369892260 499146817 /nfs/dbraw/zinc/14/68/17/499146817.db2.gz LPEKFJOXIFFIIZ-NQIIRXRSSA-N 2 0 372.557 3.084 20 0 FGADRP C[C@H](CC[NH+](C)C)NC(=O)C1CC[NH+](Cc2ccc(Cl)s2)CC1 ZINC000370066015 499173493 /nfs/dbraw/zinc/17/34/93/499173493.db2.gz FQMIAGVKGRIKSR-CYBMUJFWSA-N 2 0 357.951 3.070 20 0 FGADRP COc1ccc(-c2ccncc2)cc1C[NH2+]C[C@@H]1CN2CCCC[C@H]2CO1 ZINC000370421549 499219577 /nfs/dbraw/zinc/21/95/77/499219577.db2.gz OOFYHTLHWDBFQX-LEWJYISDSA-N 2 0 367.493 3.100 20 0 FGADRP COc1ccc(C[N@H+](C)C2CCN(c3cc[nH+]cc3)CC2)c(OC)c1OC ZINC000367687516 499224881 /nfs/dbraw/zinc/22/48/81/499224881.db2.gz NPYALFAFVOQZFW-UHFFFAOYSA-N 2 0 371.481 3.208 20 0 FGADRP CCC[NH+]1CCC([NH2+][C@@H]2CCN(Cc3cnc(C)s3)C[C@H]2C)CC1 ZINC000370619508 499236235 /nfs/dbraw/zinc/23/62/35/499236235.db2.gz AOTSFIHFMPJJLL-DNVCBOLYSA-N 2 0 350.576 3.126 20 0 FGADRP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+]CCc1nc(C(C)(C)C)cs1 ZINC000370632437 499237589 /nfs/dbraw/zinc/23/75/89/499237589.db2.gz ASOWUEZBYLUNNQ-IXDOHACOSA-N 2 0 365.587 3.462 20 0 FGADRP CC[C@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccc(OC(F)F)cc1 ZINC000370637554 499238203 /nfs/dbraw/zinc/23/82/03/499238203.db2.gz UWEPHPWSJCSVGW-LPHOPBHVSA-N 2 0 367.484 3.497 20 0 FGADRP C[C@@H](O)c1ncc(CNC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)s1 ZINC000368043670 499258798 /nfs/dbraw/zinc/25/87/98/499258798.db2.gz XALQIROFAHWYSW-QFWMXSHPSA-N 2 0 363.449 3.091 20 0 FGADRP C[NH2+]Cc1ccc(NC(=O)[C@H]2CCC[N@H+](Cc3cccc(F)c3)C2)cc1 ZINC000582124924 506140025 /nfs/dbraw/zinc/14/00/25/506140025.db2.gz YXOYTWZEAAMAFF-SFHVURJKSA-N 2 0 355.457 3.396 20 0 FGADRP O=C(Oc1ccccc1)N1CCC[C@@H]([NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000368473537 499299434 /nfs/dbraw/zinc/29/94/34/499299434.db2.gz ICRFCYVCSQKGFN-ZWKOTPCHSA-N 2 0 357.498 3.114 20 0 FGADRP COc1ccc2ccccc2c1C[N@@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000371337993 499312545 /nfs/dbraw/zinc/31/25/45/499312545.db2.gz XTHCSHHOYXASAY-FQEVSTJZSA-N 2 0 367.537 3.449 20 0 FGADRP C[NH+](C)[C@@H]1CCc2ccccc2[C@@H]1NC1CC[NH+](Cc2ccncc2)CC1 ZINC000371486810 499333350 /nfs/dbraw/zinc/33/33/50/499333350.db2.gz AFGJVZRHMZDOLR-PKTZIBPZSA-N 2 0 364.537 3.253 20 0 FGADRP C[N@H+](C[C@H]1CC12CC[NH+](Cc1nnc(C3CC3)n1C1CC1)CC2)C1CC1 ZINC000371694665 499355949 /nfs/dbraw/zinc/35/59/49/499355949.db2.gz UOFQSAOWGAASAN-MRXNPFEDSA-N 2 0 355.530 3.187 20 0 FGADRP CCOC(CCC[NH2+]Cc1nc2c(s1)CN(C(C)C)CC2)OCC ZINC000371708575 499357855 /nfs/dbraw/zinc/35/78/55/499357855.db2.gz GZPKQZHBZNMFBO-UHFFFAOYSA-N 2 0 355.548 3.179 20 0 FGADRP CC(C)[NH+]1CCC(NC(=O)NC[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000369047786 499360234 /nfs/dbraw/zinc/36/02/34/499360234.db2.gz LMXVPFQTIIQNEV-JOCHJYFZSA-N 2 0 372.557 3.071 20 0 FGADRP CCC[NH+]1CCN(C2CC[NH+](Cc3cccc(OC(F)F)c3)CC2)CC1 ZINC000369156262 499371639 /nfs/dbraw/zinc/37/16/39/499371639.db2.gz NUVUXVXQAJPYFO-UHFFFAOYSA-N 2 0 367.484 3.280 20 0 FGADRP C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@H]1[NH2+]Cc1ccc(C[NH+]2CCCC2)cc1 ZINC000371985875 499387233 /nfs/dbraw/zinc/38/72/33/499387233.db2.gz WNRCFBJEIIKGFZ-UEVCKROQSA-N 3 0 371.569 3.261 20 0 FGADRP CN1CCC([NH+]2CCC(CC[NH2+][C@H]3CC(C)(C)OC3(C)C)CC2)CC1 ZINC000372056748 499394163 /nfs/dbraw/zinc/39/41/63/499394163.db2.gz VSIWIPSFPJLDQK-IBGZPJMESA-N 2 0 351.579 3.118 20 0 FGADRP C(C[NH+]1CCCC2(CCOCC2)C1)C[N@@H+]1CCCC2(CCOCC2)C1 ZINC000369368624 499396147 /nfs/dbraw/zinc/39/61/47/499396147.db2.gz HNCRTQBDICNSCQ-UHFFFAOYSA-N 2 0 350.547 3.162 20 0 FGADRP CN1CC[NH+](CC2(C)CC[NH+](Cc3cnc(-c4ccco4)s3)CC2)CC1 ZINC000369483722 499407793 /nfs/dbraw/zinc/40/77/93/499407793.db2.gz JHWFQLPEWCTKBR-UHFFFAOYSA-N 2 0 374.554 3.253 20 0 FGADRP C[NH+](C)Cc1c2ccccc2oc1C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000369680669 499435536 /nfs/dbraw/zinc/43/55/36/499435536.db2.gz WEZSCSOIDQCBPW-OAHLLOKOSA-N 2 0 355.482 3.241 20 0 FGADRP O=C(N[C@H](C[NH+]1CCCC1)c1ccccc1)NC1CC([NH+]2CCCCC2)C1 ZINC000369732960 499439513 /nfs/dbraw/zinc/43/95/13/499439513.db2.gz SVFBGJWQDVHRKT-XVAXZDLZSA-N 2 0 370.541 3.140 20 0 FGADRP COc1ccc2c(c1)OCC[C@@H]2[NH2+][C@@H]1CCN(Cc2ccccn2)C[C@H]1C ZINC000378183664 499488097 /nfs/dbraw/zinc/48/80/97/499488097.db2.gz JKDSRKCUHHDAQL-HBGVWJBISA-N 2 0 367.493 3.414 20 0 FGADRP COc1cc(C[N@H+](C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)ccc1SC ZINC000378297014 499499118 /nfs/dbraw/zinc/49/91/18/499499118.db2.gz SICPMNRGLRTEQI-SFHVURJKSA-N 2 0 363.571 3.017 20 0 FGADRP CCC[NH+]1CCN(C2CC[NH+](Cc3cc4cc(OC)ccc4o3)CC2)CC1 ZINC000378340770 499503625 /nfs/dbraw/zinc/50/36/25/499503625.db2.gz ITSBPHSEYJRVDM-UHFFFAOYSA-N 2 0 371.525 3.433 20 0 FGADRP C[C@@H]1C[N@H+](CCCCCOc2ccccc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000375356713 499510375 /nfs/dbraw/zinc/51/03/75/499510375.db2.gz OIVLFXPCFBCGHB-IFMALSPDSA-N 2 0 359.558 3.194 20 0 FGADRP CC[N@H+](CCC1CCN(C(=O)N[C@@H]2CC[NH+](C)[C@@H](C)C2)CC1)CC(C)C ZINC000573231145 506148988 /nfs/dbraw/zinc/14/89/88/506148988.db2.gz UOOWDJOSPRSPMO-AZUAARDMSA-N 2 0 366.594 3.259 20 0 FGADRP C[C@@H]1C[C@H](NC(=O)[C@@H]2C[NH2+]Cc3ccccc32)CC[N@@H+]1Cc1ccccc1 ZINC000379660706 499542558 /nfs/dbraw/zinc/54/25/58/499542558.db2.gz CTACDIMKQYTZKU-NQSCKRDGSA-N 2 0 363.505 3.043 20 0 FGADRP C[C@@H]1CCC[N@H+](CCCC[NH2+]C[C@H](O)COc2cccc3[nH]ccc32)C1 ZINC000582176188 506151361 /nfs/dbraw/zinc/15/13/61/506151361.db2.gz HCINFNRCZSOSOS-MSOLQXFVSA-N 2 0 359.514 3.009 20 0 FGADRP C[C@H](CCc1ccc(F)cc1F)[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000573229184 506149223 /nfs/dbraw/zinc/14/92/23/506149223.db2.gz VCHKBRSDSDEAHF-CVEARBPZSA-N 2 0 352.469 3.376 20 0 FGADRP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@H]([NH3+])CC1CCCCC1 ZINC000382724671 499546229 /nfs/dbraw/zinc/54/62/29/499546229.db2.gz RCNGBJKGQMIDAK-SFTDATJTSA-N 2 0 357.542 3.265 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000389845320 499553113 /nfs/dbraw/zinc/55/31/13/499553113.db2.gz NEKWVQHRFYZBFZ-QMMLZNLJSA-N 2 0 351.494 3.103 20 0 FGADRP C[C@@H]([NH2+]CC1=CC[N@H+](C)CC1)c1ccc(I)cc1 ZINC000392298561 499558465 /nfs/dbraw/zinc/55/84/65/499558465.db2.gz XRSDNIREPPYBCB-GFCCVEGCSA-N 2 0 356.251 3.204 20 0 FGADRP OC1(C(F)(F)F)CCC([NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000396337299 499562773 /nfs/dbraw/zinc/56/27/73/499562773.db2.gz VTAKCSHPTFMTEK-AOCRQIFASA-N 2 0 356.432 3.334 20 0 FGADRP Cc1ccccc1OC[C@H](O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000397959360 499565820 /nfs/dbraw/zinc/56/58/20/499565820.db2.gz DCWQVHBKICWDCE-KSEOMHKRSA-N 2 0 368.521 3.235 20 0 FGADRP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](CCCOc3cccc(Cl)c3)C2)CC1 ZINC000375907129 499567506 /nfs/dbraw/zinc/56/75/06/499567506.db2.gz RJRFMSJHHPYAHF-LJQANCHMSA-N 2 0 365.949 3.209 20 0 FGADRP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](Cc3cc(-c4ccc(F)cc4)no3)C2)CC1 ZINC000375907710 499567549 /nfs/dbraw/zinc/56/75/49/499567549.db2.gz SVBTUQKYRXLNJG-LJQANCHMSA-N 2 0 372.488 3.081 20 0 FGADRP COc1ccc2nc(C[NH+]3CCC([C@H]4OCCC[C@@H]4[NH3+])CC3)sc2c1 ZINC000582169154 506150365 /nfs/dbraw/zinc/15/03/65/506150365.db2.gz NWNHBYCKFYRWHE-HNAYVOBHSA-N 2 0 361.511 3.023 20 0 FGADRP Cc1nccn1CCCC[N@H+]1C[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000409446119 499596636 /nfs/dbraw/zinc/59/66/36/499596636.db2.gz DCHPIHQZOAFLEW-FGZHOGPDSA-N 2 0 352.526 3.426 20 0 FGADRP C[C@H]([NH2+]C(C)(C)CNC(=O)N1CCCC12CC[NH+](C)CC2)c1ccccc1 ZINC000376547068 499617194 /nfs/dbraw/zinc/61/71/94/499617194.db2.gz GXNPSNHGMVTFLG-SFHVURJKSA-N 2 0 372.557 3.386 20 0 FGADRP CCN(CC[NH+]1CCCCCC1)C(=O)[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000576420096 506153587 /nfs/dbraw/zinc/15/35/87/506153587.db2.gz IDONTSXDWLXJHE-OAQYLSRUSA-N 2 0 372.557 3.018 20 0 FGADRP CC(C)[NH+]1CCN(C(=O)NCc2ccccc2C[NH+]2CCC(C)CC2)CC1 ZINC000410341264 499655889 /nfs/dbraw/zinc/65/58/89/499655889.db2.gz SKSQAAFLJGOORL-UHFFFAOYSA-N 2 0 372.557 3.154 20 0 FGADRP C[C@@H]1C[N@@H+](CC2CC[NH+](CCCCC3CCOCC3)CC2)C[C@H](C)O1 ZINC000410349444 499656957 /nfs/dbraw/zinc/65/69/57/499656957.db2.gz PVVQECGDUZCFHX-KDURUIRLSA-N 2 0 352.563 3.405 20 0 FGADRP CC(C)C[C@H]([NH3+])c1noc(-c2ccc(N3CC[NH+](C(C)C)CC3)cc2)n1 ZINC000579352421 506153921 /nfs/dbraw/zinc/15/39/21/506153921.db2.gz AXZVPZUJOROUEG-SFHVURJKSA-N 2 0 357.502 3.313 20 0 FGADRP CC(C)[NH+]1CCN(C2CC[NH+](CCCCC3CCOCC3)CC2)CC1 ZINC000377103414 499662469 /nfs/dbraw/zinc/66/24/69/499662469.db2.gz GZUREYYKTQGOCJ-UHFFFAOYSA-N 2 0 351.579 3.074 20 0 FGADRP Cc1nccn1-c1ccc([C@@H](C)[N@@H+]2CC[C@]3(C2)CCCN(C)C3=O)cc1 ZINC000377680460 499718891 /nfs/dbraw/zinc/71/88/91/499718891.db2.gz QCXGNGXFBYIGCV-IERDGZPVSA-N 2 0 352.482 3.186 20 0 FGADRP Cc1ccc(-c2n[nH]cc2C[N@@H+](C)C2CCN(c3cc[nH+]cc3)CC2)o1 ZINC000377694661 499721205 /nfs/dbraw/zinc/72/12/05/499721205.db2.gz HFVXXBJDBCRGMJ-UHFFFAOYSA-N 2 0 351.454 3.474 20 0 FGADRP C[C@@H](CC[NH+]1CCC[C@@H]2COCC[C@@H]21)CC[N@@H+]1CCC[C@H]2COCC[C@@H]21 ZINC000411315149 499725112 /nfs/dbraw/zinc/72/51/12/499725112.db2.gz HDTRVCCAJIVQNM-WIYBCGNWSA-N 2 0 364.574 3.405 20 0 FGADRP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411399706 499734569 /nfs/dbraw/zinc/73/45/69/499734569.db2.gz LZVNZLXXDJDPCY-VJBWXMMDSA-N 3 0 371.569 3.356 20 0 FGADRP O=C1CCC[C@H]1[C@@H]1COCCN1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411544408 499753096 /nfs/dbraw/zinc/75/30/96/499753096.db2.gz NNCCRZFXXYULLE-SFTDATJTSA-N 2 0 356.510 3.243 20 0 FGADRP CCc1ccc([C@H](CN2CCOCC2)[NH2+]Cc2ccc3c[nH+]cn3c2)cc1 ZINC000414181430 499766361 /nfs/dbraw/zinc/76/63/61/499766361.db2.gz MDBHBVYNPDHOQT-QFIPXVFZSA-N 2 0 364.493 3.060 20 0 FGADRP CC(C)C[C@@H]([NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1)c1ccccc1 ZINC000414203839 499768422 /nfs/dbraw/zinc/76/84/22/499768422.db2.gz VOELMZKHSGHFJI-OAQYLSRUSA-N 2 0 359.558 3.160 20 0 FGADRP C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2C[NH2+]Cc2cnc(N(C)C)n2C)C1 ZINC000414301161 499775470 /nfs/dbraw/zinc/77/54/70/499775470.db2.gz BIRJEKKXYNTKAY-ROUUACIJSA-N 2 0 369.557 3.254 20 0 FGADRP CC[C@H]([NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1)[C@@H]1CC1(C)C ZINC000414337874 499778903 /nfs/dbraw/zinc/77/89/03/499778903.db2.gz JWDSSESYRUIJJA-PMACEKPBSA-N 2 0 357.542 3.298 20 0 FGADRP CC(C)(C)[C@H]1CC[C@H]1[NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000414342939 499779285 /nfs/dbraw/zinc/77/92/85/499779285.db2.gz PVFIZMNKHWAHLG-VQTJNVASSA-N 2 0 357.542 3.298 20 0 FGADRP NC(=O)C1CC[NH+](Cc2ccc(C[NH2+][C@@H](C3CC3)C3CCC3)cc2)CC1 ZINC000414344989 499779512 /nfs/dbraw/zinc/77/95/12/499779512.db2.gz SECBOLUNIJMBSP-OAQYLSRUSA-N 2 0 355.526 3.052 20 0 FGADRP Cc1cc(C[NH2+]CCc2ccc(OCC[N@H+]3C[C@H](C)[C@H](C)C3)cc2)nn1C ZINC000414361521 499780848 /nfs/dbraw/zinc/78/08/48/499780848.db2.gz CPFJCFRGPICAPP-HDICACEKSA-N 2 0 370.541 3.027 20 0 FGADRP Cc1cc(C[NH2+]C2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)ccc1C(F)(F)F ZINC000414383712 499784268 /nfs/dbraw/zinc/78/42/68/499784268.db2.gz UOEMAUJTBJMLRZ-QZTJIDSGSA-N 2 0 356.432 3.481 20 0 FGADRP C[C@@H](C[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1)Cc1ccccc1 ZINC000414531780 499803798 /nfs/dbraw/zinc/80/37/98/499803798.db2.gz ZXOKTUXUPQCBIY-HXUWFJFHSA-N 2 0 352.522 3.482 20 0 FGADRP NC(=O)C1CC[NH+](Cc2ccc(C[NH2+]Cc3ccc(Cl)cc3)cc2)CC1 ZINC000414560004 499809096 /nfs/dbraw/zinc/80/90/96/499809096.db2.gz VSIDKHIESOACTR-UHFFFAOYSA-N 2 0 371.912 3.327 20 0 FGADRP CC[C@](C[NH2+]C1CCN(c2cc[nH+]cc2)CC1)(C(=O)OC)c1ccccc1 ZINC000414584678 499811756 /nfs/dbraw/zinc/81/17/56/499811756.db2.gz JQHUULZLXDMNHS-JOCHJYFZSA-N 2 0 367.493 3.161 20 0 FGADRP C[N@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)[C@@H]1CCCC[C@H]1c1ccccc1 ZINC000412014822 499813181 /nfs/dbraw/zinc/81/31/81/499813181.db2.gz RBMSLBPWJTTYDF-FCHUYYIVSA-N 2 0 369.553 3.388 20 0 FGADRP C[C@H](c1ccc(Cl)cc1Cl)[N@H+](C)C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414677133 499819844 /nfs/dbraw/zinc/81/98/44/499819844.db2.gz ONIVOMAZJKUWSG-CHWSQXEVSA-N 2 0 358.313 3.184 20 0 FGADRP CC(C)([NH2+]C[C@@H]1CCCN(C(=O)C[NH3+])C1)c1ccc(Cl)c(Cl)c1 ZINC000414709150 499821883 /nfs/dbraw/zinc/82/18/83/499821883.db2.gz ORSGGXCBUOMMPG-LBPRGKRZSA-N 2 0 358.313 3.015 20 0 FGADRP CCCN(C(=O)c1cccs1)C1CC[NH+](C[C@@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000414752523 499826857 /nfs/dbraw/zinc/82/68/57/499826857.db2.gz KYQCFMBQOSNOEA-DLBZAZTESA-N 2 0 363.571 3.453 20 0 FGADRP COc1cc(OC)cc(C2(F)CC[NH+](C[C@@H]3CC[NH2+][C@H](C)C3)CC2)c1 ZINC000414760180 499827503 /nfs/dbraw/zinc/82/75/03/499827503.db2.gz GNJPQAJGHZBNND-HZPDHXFCSA-N 2 0 350.478 3.353 20 0 FGADRP CC[NH+](CC)CCOc1ccccc1NC(=O)N1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000414776815 499829826 /nfs/dbraw/zinc/82/98/26/499829826.db2.gz DHPAXEAHRTTZLD-AEFFLSMTSA-N 2 0 362.518 3.141 20 0 FGADRP C[NH+](C)CCN(Cc1ccco1)C(=O)c1cccc(C[NH+]2CCCCC2)c1 ZINC000412170138 499830042 /nfs/dbraw/zinc/83/00/42/499830042.db2.gz KBMGXBMPBSZJRV-UHFFFAOYSA-N 2 0 369.509 3.470 20 0 FGADRP C[C@@H]([NH3+])c1ccc(C[NH2+]Cc2cc3c(cc2OC(F)F)OCO3)cc1 ZINC000414809756 499833458 /nfs/dbraw/zinc/83/34/58/499833458.db2.gz NANMJKMWFMWEGY-LLVKDONJSA-N 2 0 350.365 3.326 20 0 FGADRP Clc1ccc(OC[C@H]2CCCO2)c(C[NH2+]CC[C@H]2CCC[NH2+]C2)c1 ZINC000414831382 499835230 /nfs/dbraw/zinc/83/52/30/499835230.db2.gz DBUSLFFVEKMYFY-CRAIPNDOSA-N 2 0 352.906 3.377 20 0 FGADRP Clc1cccc(-n2cc(C[NH2+]CC[C@H]3CCC[NH2+]C3)nn2)c1Cl ZINC000414834180 499835641 /nfs/dbraw/zinc/83/56/41/499835641.db2.gz GZJADVDFRWZEKJ-GFCCVEGCSA-N 2 0 354.285 3.053 20 0 FGADRP Cc1cccn2cc(COc3ccc(C[NH2+]C[C@H]4CCC[NH2+]C4)cc3)nc12 ZINC000414835498 499835837 /nfs/dbraw/zinc/83/58/37/499835837.db2.gz UHFWLTBDDONEEM-IBGZPJMESA-N 2 0 364.493 3.311 20 0 FGADRP COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]CC1([NH3+])CCCCC1 ZINC000414838665 499836230 /nfs/dbraw/zinc/83/62/30/499836230.db2.gz INDCTZOFWQMNRO-ZDUSSCGKSA-N 2 0 353.894 3.317 20 0 FGADRP c1c(C[NH2+]CC[C@@H]2CCC[NH2+]C2)c(-c2cccnc2)nn1-c1ccccc1 ZINC000414844456 499836991 /nfs/dbraw/zinc/83/69/91/499836991.db2.gz RKHAXUYPKDBPQG-SFHVURJKSA-N 2 0 361.493 3.414 20 0 FGADRP C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000414853044 499838138 /nfs/dbraw/zinc/83/81/38/499838138.db2.gz KNMSVPQANPTALI-VYDXJSESSA-N 2 0 351.922 3.055 20 0 FGADRP COc1ccc(C[NH2+][C@@H](C)[C@@H]2CCC[NH2+]C2)cc1OCc1cccnc1 ZINC000414856209 499838729 /nfs/dbraw/zinc/83/87/29/499838729.db2.gz OBINOIFVHOYWNT-QFBILLFUSA-N 2 0 355.482 3.147 20 0 FGADRP CCCOc1c(Br)cc(C[NH2+]C[C@@H](C)C[NH3+])cc1OCC ZINC000414866790 499839408 /nfs/dbraw/zinc/83/94/08/499839408.db2.gz BBNPITQAWBZFMU-LBPRGKRZSA-N 2 0 359.308 3.321 20 0 FGADRP COc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]C[C@H](C)C[NH3+])cc1 ZINC000414870270 499839828 /nfs/dbraw/zinc/83/98/28/499839828.db2.gz BXJQIOPRSJSKAY-MRXNPFEDSA-N 2 0 350.466 3.232 20 0 FGADRP C[C@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[NH2+]C[C@H]([NH3+])C1CC1 ZINC000414885494 499841734 /nfs/dbraw/zinc/84/17/34/499841734.db2.gz GPRPRJVGSXVBJR-OTYXRUKQSA-N 2 0 363.811 3.403 20 0 FGADRP C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+]CC1(C)CC[NH2+]CC1 ZINC000414897365 499842594 /nfs/dbraw/zinc/84/25/94/499842594.db2.gz DTSXQTZQQSADCJ-CYBMUJFWSA-N 2 0 373.419 3.282 20 0 FGADRP C[C@H]1C[C@@H]([NH2+]C2CCN(Cc3ccccc3Br)CC2)CC[NH2+]1 ZINC000414940941 499847075 /nfs/dbraw/zinc/84/70/75/499847075.db2.gz BZYWEZCPDVCIHQ-YOEHRIQHSA-N 2 0 366.347 3.144 20 0 FGADRP COCC1(C[NH2+]Cc2ccccc2OCc2ccccc2)CC[NH2+]CC1 ZINC000414942162 499847091 /nfs/dbraw/zinc/84/70/91/499847091.db2.gz BJCCGTGDWNPTRN-UHFFFAOYSA-N 2 0 354.494 3.371 20 0 FGADRP C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000414964458 499849752 /nfs/dbraw/zinc/84/97/52/499849752.db2.gz DOTJHDNTUNBIPK-UKRRQHHQSA-N 2 0 368.319 3.288 20 0 FGADRP C[C@@H](CCCC[NH3+])[NH2+]Cc1ncc(Br)cc1Br ZINC000415014207 499855151 /nfs/dbraw/zinc/85/51/51/499855151.db2.gz LORXISVMJMAJTG-VIFPVBQESA-N 2 0 365.113 3.214 20 0 FGADRP C[C@@H](CCCC[NH3+])[NH2+][C@@H](C)CC(=O)Nc1cccc(Br)c1 ZINC000415013801 499855210 /nfs/dbraw/zinc/85/52/10/499855210.db2.gz KYZXDEZHXBEDTM-STQMWFEESA-N 2 0 356.308 3.273 20 0 FGADRP C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+][C@H]1CC[C@H](C[NH3+])C1 ZINC000415041805 499857268 /nfs/dbraw/zinc/85/72/68/499857268.db2.gz QDQGDYDUVAAOPL-DYEKYZERSA-N 2 0 359.392 3.019 20 0 FGADRP COc1ccc(C(=O)Nc2cccc(C[N@@H+]3C[C@@H](C)[C@](C)(C[NH3+])C3)c2)cc1 ZINC000415050459 499858372 /nfs/dbraw/zinc/85/83/72/499858372.db2.gz CRTISSMZYKFCPR-OPAMFIHVSA-N 2 0 367.493 3.364 20 0 FGADRP O=c1ccccn1Cc1ccc(C[NH2+][C@H]2CCN[C@H](c3ccccc3)C2)cc1 ZINC000415080505 499861537 /nfs/dbraw/zinc/86/15/37/499861537.db2.gz LTZCDGRNFXGRPM-GOTSBHOMSA-N 2 0 373.500 3.480 20 0 FGADRP COc1cc([C@@H](C)[NH2+]C[C@@H]2CCC[NH2+]C2)ccc1OCc1ccncc1 ZINC000415095317 499862704 /nfs/dbraw/zinc/86/27/04/499862704.db2.gz ZLORHWVKUIRSPU-SJLPKXTDSA-N 2 0 355.482 3.319 20 0 FGADRP Cc1cc(Br)ccc1C[NH+]1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000415104584 499864014 /nfs/dbraw/zinc/86/40/14/499864014.db2.gz HEWRBMVYFPFZIJ-ZWKOTPCHSA-N 2 0 367.331 3.476 20 0 FGADRP [NH3+][C@H]1CCO[C@H](C2CC[NH+](Cc3cccc(OC(F)(F)F)c3)CC2)C1 ZINC000415122371 499866463 /nfs/dbraw/zinc/86/64/63/499866463.db2.gz JXLDVZAAJZVZHG-RDJZCZTQSA-N 2 0 358.404 3.304 20 0 FGADRP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](Cc2ccc(OCC(F)(F)F)cc2)CC1 ZINC000415124421 499866793 /nfs/dbraw/zinc/86/67/93/499866793.db2.gz KFAWNPSAMNHPFG-QZTJIDSGSA-N 2 0 372.431 3.346 20 0 FGADRP Cc1cc(Br)ccc1C[NH+]1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000415126106 499867045 /nfs/dbraw/zinc/86/70/45/499867045.db2.gz PEERRECSTZAPBQ-ZWKOTPCHSA-N 2 0 367.331 3.476 20 0 FGADRP CCCOc1cc(C[NH+]2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)ccc1OC ZINC000415130282 499867802 /nfs/dbraw/zinc/86/78/02/499867802.db2.gz WSJVIPKRMISRAC-QUCCMNQESA-N 2 0 362.514 3.202 20 0 FGADRP COc1cc(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)ccc1OCc1ccncc1 ZINC000415133203 499868294 /nfs/dbraw/zinc/86/82/94/499868294.db2.gz UYIAXEMEWMGMQZ-APWZRJJASA-N 2 0 355.482 3.086 20 0 FGADRP CC1CC[NH+](CCc2cccc(NC(=O)N(C3CC3)[C@H]3CC[NH2+]C3)c2)CC1 ZINC000415391678 499890954 /nfs/dbraw/zinc/89/09/54/499890954.db2.gz MCLPDALVAAVCAY-NRFANRHFSA-N 2 0 370.541 3.319 20 0 FGADRP CC[NH+]1CCN(c2ccccc2NC(=O)[C@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000413091334 499912411 /nfs/dbraw/zinc/91/24/11/499912411.db2.gz CELUHUNFGSPBAC-KSZLIROESA-N 2 0 358.530 3.028 20 0 FGADRP CCc1ccc([C@H](CNC(=O)Nc2ccc3c(c2)C[NH2+]CC3)[NH+](C)C)cc1 ZINC000415881983 499924006 /nfs/dbraw/zinc/92/40/06/499924006.db2.gz JSSYPEOPJOCIRY-NRFANRHFSA-N 2 0 366.509 3.319 20 0 FGADRP C[NH2+]Cc1ccccc1NC(=O)N[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000415898082 499925580 /nfs/dbraw/zinc/92/55/80/499925580.db2.gz GXGWXRJCRPGCGG-VQIMIIECSA-N 2 0 352.482 3.363 20 0 FGADRP CC[NH2+]Cc1ccccc1NC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000415922337 499928689 /nfs/dbraw/zinc/92/86/89/499928689.db2.gz SHPSVKBQFFUTDF-DYESRHJHSA-N 2 0 366.509 3.438 20 0 FGADRP CC[NH2+]Cc1ccccc1NC(=O)N1CCN(Cc2cccc(F)c2)CC1 ZINC000415932323 499929911 /nfs/dbraw/zinc/92/99/11/499929911.db2.gz ODXOHOJFQAEQPX-UHFFFAOYSA-N 2 0 370.472 3.285 20 0 FGADRP CC[NH2+]Cc1ccccc1NC(=O)NC[C@@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000415938770 499931081 /nfs/dbraw/zinc/93/10/81/499931081.db2.gz BATSCUHMQRKZHP-QGZVFWFLSA-N 2 0 366.509 3.364 20 0 FGADRP CC[C@@H](C)[NH2+][C@H](CNC(=O)Nc1ccc2c(c1F)CC[NH2+]C2)c1ccco1 ZINC000415954626 499933160 /nfs/dbraw/zinc/93/31/60/499933160.db2.gz KXIYHIVVAAULAA-CXAGYDPISA-N 2 0 374.460 3.315 20 0 FGADRP C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000415988248 499938108 /nfs/dbraw/zinc/93/81/08/499938108.db2.gz CPKOUFNUYOOKIP-UHFFFAOYSA-N 2 0 356.445 3.025 20 0 FGADRP CN(C[C@H]1CCC[N@@H+]1C)C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000421092799 499950919 /nfs/dbraw/zinc/95/09/19/499950919.db2.gz ODLYNVIDDWUMNW-HXUWFJFHSA-N 2 0 358.530 3.273 20 0 FGADRP C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)N(CCC[NH3+])CC2CCCC2)C1 ZINC000417047304 499957225 /nfs/dbraw/zinc/95/72/25/499957225.db2.gz QBBGDWZSWGWUAF-OALUTQOASA-N 2 0 366.594 3.295 20 0 FGADRP C[NH+](C)CCC1CCN(C(=O)c2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC000413440275 499958154 /nfs/dbraw/zinc/95/81/54/499958154.db2.gz BOIAUDDCYCDCSS-UHFFFAOYSA-N 2 0 357.542 3.476 20 0 FGADRP C[C@@H](NC(=O)NCC[C@H](C)[N@H+](C)Cc1ccccc1)C(C)(C)C[NH+](C)C ZINC000428957372 499968566 /nfs/dbraw/zinc/96/85/66/499968566.db2.gz QONOHFBVXYUOIE-ZWKOTPCHSA-N 2 0 362.562 3.173 20 0 FGADRP CC[NH+](CC)[C@H](C(=O)NCC1([NH+](C)C)CC1)c1cccc(C(F)(F)F)c1 ZINC000416303756 500010094 /nfs/dbraw/zinc/01/00/94/500010094.db2.gz SJLYPMRQKMTGJG-INIZCTEOSA-N 2 0 371.447 3.299 20 0 FGADRP CC[NH+](CC)[C@H](C(=O)N1CC[C@H]([NH3+])[C@@H](C)C1)c1cccc(C(F)(F)F)c1 ZINC000429139276 500011487 /nfs/dbraw/zinc/01/14/87/500011487.db2.gz FASMIMRLSJLZSY-JQFCIGGWSA-N 2 0 371.447 3.284 20 0 FGADRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N(CCC[NH3+])Cc2ccccc2)C1 ZINC000417238293 500014613 /nfs/dbraw/zinc/01/46/13/500014613.db2.gz LEALSKUWRQLMSC-GOSISDBHSA-N 2 0 360.546 3.058 20 0 FGADRP C[NH+](C)[C@@H](CNC(=O)N[C@H](CCC[NH3+])c1ccccc1)c1cccs1 ZINC000416448066 500045716 /nfs/dbraw/zinc/04/57/16/500045716.db2.gz SPPBCOQCIQVRNN-SJORKVTESA-N 2 0 360.527 3.130 20 0 FGADRP CC(C)(C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C1(O)CCOCC1 ZINC000417383501 500055325 /nfs/dbraw/zinc/05/53/25/500055325.db2.gz OUOOMYVOZBIWLU-WKCHPHFGSA-N 2 0 372.553 3.339 20 0 FGADRP O=C(NCCC[C@H]1CCC[NH2+]1)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000417384867 500056370 /nfs/dbraw/zinc/05/63/70/500056370.db2.gz XVKXKKSLRKTJIP-OAQYLSRUSA-N 2 0 372.557 3.394 20 0 FGADRP CCCC[NH+]1CCC(NC(=O)N[C@H](C[NH3+])c2ccc3ccccc3c2)CC1 ZINC000417400217 500061321 /nfs/dbraw/zinc/06/13/21/500061321.db2.gz XWYWPXRGLCRYKU-OAQYLSRUSA-N 2 0 368.525 3.403 20 0 FGADRP CC[C@@H](C(=O)N1CC(C)(C)[C@H]1C1CC[NH+](Cc2ccccc2)CC1)[NH+](C)C ZINC000413858064 500078392 /nfs/dbraw/zinc/07/83/92/500078392.db2.gz LXWAECBHNBRJFZ-LEWJYISDSA-N 2 0 371.569 3.476 20 0 FGADRP C[NH+]1CCC(N(Cc2ccccc2)C(=O)N[C@@H](C[NH3+])C2CCCCC2)CC1 ZINC000573346459 506176831 /nfs/dbraw/zinc/17/68/31/506176831.db2.gz YHPYQDVEDQBOHC-NRFANRHFSA-N 2 0 372.557 3.200 20 0 FGADRP C[C@H]([NH3+])c1ccc(CNC(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)cc1 ZINC000416820180 500129083 /nfs/dbraw/zinc/12/90/83/500129083.db2.gz TYPCNEZPPWGAEL-LPHOPBHVSA-N 2 0 370.497 3.326 20 0 FGADRP C[NH+](C)[C@@H](CNC(=O)N[C@@H](CCC[NH3+])c1ccccc1)c1cccc(F)c1 ZINC000416826577 500130678 /nfs/dbraw/zinc/13/06/78/500130678.db2.gz BXRDVRPSGHDOOG-PMACEKPBSA-N 2 0 372.488 3.208 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N[C@H]1CC[C@H](C[NH3+])C1)c1ccccc1Cl ZINC000416827801 500131363 /nfs/dbraw/zinc/13/13/63/500131363.db2.gz DABVZWNVOYKNMX-RLFYNMQTSA-N 2 0 366.937 3.150 20 0 FGADRP C[NH+](C)C1(CNC(=O)N[C@@H](CCC[NH3+])c2ccccc2)CCCCCC1 ZINC000416847937 500136573 /nfs/dbraw/zinc/13/65/73/500136573.db2.gz KQADQBCFPSCQIT-IBGZPJMESA-N 2 0 360.546 3.420 20 0 FGADRP CCc1ccc([C@H](CNC(=O)N(CC[NH3+])Cc2ccccc2)[NH+](C)C)cc1 ZINC000416850282 500137690 /nfs/dbraw/zinc/13/76/90/500137690.db2.gz ZMCXLJRIGRBUCV-NRFANRHFSA-N 2 0 368.525 3.022 20 0 FGADRP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)NCCC[C@H]2CCC[NH2+]2)CC1 ZINC000417677529 500147033 /nfs/dbraw/zinc/14/70/33/500147033.db2.gz FWNLKHMSVIDESD-PKOBYXMFSA-N 2 0 358.530 3.043 20 0 FGADRP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)NCCC[C@@H]2CCC[NH2+]2)CC1 ZINC000417677526 500147073 /nfs/dbraw/zinc/14/70/73/500147073.db2.gz FWNLKHMSVIDESD-HKUYNNGSSA-N 2 0 358.530 3.043 20 0 FGADRP C[NH2+]C[C@H]1CCCN(C(=O)NCC2([NH2+][C@H](C)c3ccccc3)CCCC2)C1 ZINC000417696153 500150868 /nfs/dbraw/zinc/15/08/68/500150868.db2.gz BYPNYVBIHQINQT-RTBURBONSA-N 2 0 372.557 3.291 20 0 FGADRP C[C@H]([NH2+]C1(CNC(=O)NCCC2=CC[NH2+]CC2)CCCC1)c1ccccc1 ZINC000417711755 500154679 /nfs/dbraw/zinc/15/46/79/500154679.db2.gz WDGVSIZZJTYZOF-SFHVURJKSA-N 2 0 370.541 3.259 20 0 FGADRP CC[NH+]1CCN(c2ccc(C[NH2+][C@H](C)C3(OC)CCCCC3)cn2)CC1 ZINC000421819267 500158301 /nfs/dbraw/zinc/15/83/01/500158301.db2.gz GCMUUNMFARAGEF-GOSISDBHSA-N 2 0 360.546 3.051 20 0 FGADRP COc1ccc([C@@H]([NH2+]CCCN2CCC[N@H+](C)CC2)C(C)C)c(F)c1 ZINC000421825810 500160284 /nfs/dbraw/zinc/16/02/84/500160284.db2.gz PITCRJJQZKTUQK-FQEVSTJZSA-N 2 0 351.510 3.149 20 0 FGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@@H](c2ccc(OC)cc2F)C(C)C)CC1 ZINC000421827582 500161095 /nfs/dbraw/zinc/16/10/95/500161095.db2.gz YIRBZIONMPRTFO-LAUBAEHRSA-N 2 0 365.537 3.395 20 0 FGADRP C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)NCCC[C@H]2CCC[NH2+]2)C1 ZINC000416966946 500168844 /nfs/dbraw/zinc/16/88/44/500168844.db2.gz GAIJTGULSHUZNJ-WIYYLYMNSA-N 2 0 372.557 3.250 20 0 FGADRP C[C@@H]([NH3+])C1CCN(C(=O)NCc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)CC1 ZINC000416969119 500169480 /nfs/dbraw/zinc/16/94/80/500169480.db2.gz KEZJBEGZYFNCRP-ZWKOTPCHSA-N 2 0 372.557 3.187 20 0 FGADRP C[C@H]([NH3+])[C@H]1CCCN(C(=O)NCc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)C1 ZINC000416971862 500170757 /nfs/dbraw/zinc/17/07/57/500170757.db2.gz QKTTVEYQPVLOFT-LQWHRVPQSA-N 2 0 372.557 3.187 20 0 FGADRP CC[NH+](CC)Cc1cccc(CNC(=O)N2CCC3(CC[NH2+]CC3)CC2)c1 ZINC000416976996 500173490 /nfs/dbraw/zinc/17/34/90/500173490.db2.gz BSRUYUMGGZAUIA-UHFFFAOYSA-N 2 0 372.557 3.204 20 0 FGADRP Cc1ccccc1C[NH+]1CCC(NC(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)CC1 ZINC000416982978 500174605 /nfs/dbraw/zinc/17/46/05/500174605.db2.gz WTLYXSNBSAWSCV-WGSAOQKQSA-N 2 0 372.557 3.024 20 0 FGADRP C[C@@H](CCC[NH3+])NC(=O)NCc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000416984451 500174983 /nfs/dbraw/zinc/17/49/83/500174983.db2.gz HFKQBCIMACPELC-KSZLIROESA-N 2 0 360.546 3.091 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000416984994 500175483 /nfs/dbraw/zinc/17/54/83/500175483.db2.gz YHOQYYPWBRAHGN-RTBURBONSA-N 2 0 372.557 3.250 20 0 FGADRP C[NH2+]C[C@H]1CCCN1C(=O)NCc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000416989113 500176923 /nfs/dbraw/zinc/17/69/23/500176923.db2.gz AGDRJTXJNAAWEI-LVCYWYKZSA-N 2 0 372.557 3.058 20 0 FGADRP C[C@@H]1C[C@H](NC(=O)N[C@@H](C[NH3+])C2CCCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000417835740 500180994 /nfs/dbraw/zinc/18/09/94/500180994.db2.gz LDHMYGSWROQHAY-UIFIKXQLSA-N 2 0 372.557 3.246 20 0 FGADRP CC[NH2+]CC1CCN(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000417837482 500181233 /nfs/dbraw/zinc/18/12/33/500181233.db2.gz MKWAUYMQIVSMSR-RXVVDRJESA-N 2 0 372.557 3.071 20 0 FGADRP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)N[C@@H](C[NH3+])c2ccc3ccccc3c2)C1 ZINC000417872090 500187949 /nfs/dbraw/zinc/18/79/49/500187949.db2.gz IIEAVLCFRRRVPY-UWJYYQICSA-N 2 0 368.525 3.117 20 0 FGADRP CC(C)C[C@H](CNC(=O)N1CC[C@]2(CC[NH2+]C2)C1)[NH2+][C@@H](C)c1ccccc1 ZINC000417882697 500191529 /nfs/dbraw/zinc/19/15/29/500191529.db2.gz VGCQFXBBSRTQHG-DWLFOUALSA-N 2 0 372.557 3.147 20 0 FGADRP CCC[NH+]1CCN(c2ccccc2C[N@@H+]2CCOC[C@@H](C3CCC3)C2)CC1 ZINC000430116904 500195324 /nfs/dbraw/zinc/19/53/24/500195324.db2.gz DMWBGQYKLSZTSM-QFIPXVFZSA-N 2 0 371.569 3.467 20 0 FGADRP CCC1(CNC(=O)N2CC[C@@H]([C@@H](C)[NH3+])C2)CC[NH+](Cc2ccccc2)CC1 ZINC000417922391 500198199 /nfs/dbraw/zinc/19/81/99/500198199.db2.gz IXDVXFVDMXVHRR-UYAOXDASSA-N 2 0 372.557 3.058 20 0 FGADRP CCC1(CNC(=O)NCC[C@H]2CCC[NH2+]2)CC[NH+](Cc2ccccc2)CC1 ZINC000417928251 500199550 /nfs/dbraw/zinc/19/95/50/500199550.db2.gz RDADZSQUQHCVTA-HXUWFJFHSA-N 2 0 372.557 3.120 20 0 FGADRP CCC1(CNC(=O)NC2CCC([NH3+])CC2)CC[NH+](Cc2ccccc2)CC1 ZINC000417934044 500200379 /nfs/dbraw/zinc/20/03/79/500200379.db2.gz YJTAIFCAJJYBPS-UHFFFAOYSA-N 2 0 372.557 3.248 20 0 FGADRP C[NH+](C)CC1CCC(NC(=O)N[C@@H](C[NH3+])c2ccc3ccccc3c2)CC1 ZINC000417942092 500201853 /nfs/dbraw/zinc/20/18/53/500201853.db2.gz SJKPJKHTAKPFJJ-LFNLJPBCSA-N 2 0 368.525 3.259 20 0 FGADRP C[C@H]1C[C@H](NCc2ccc(F)cc2I)CC[N@@H+]1C ZINC000417959121 500204585 /nfs/dbraw/zinc/20/45/85/500204585.db2.gz LKKHPAJBLSYUAY-GXFFZTMASA-N 2 0 362.230 3.003 20 0 FGADRP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)CC[C@H]([NH3+])c2ccccc2)CC1 ZINC000579470269 506182468 /nfs/dbraw/zinc/18/24/68/506182468.db2.gz CFJLPSMUIMLTTP-UTKZUKDTSA-N 2 0 366.509 3.203 20 0 FGADRP [NH3+]CCc1ccccc1C(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000582308691 506183026 /nfs/dbraw/zinc/18/30/26/506183026.db2.gz SYVDGKPIQXNQAU-FQEVSTJZSA-N 2 0 371.912 3.408 20 0 FGADRP OC1(C[NH2+]C[C@H]2C[C@H]2c2ccccc2)CC[NH+](Cc2ccccc2)CC1 ZINC000418094998 500228454 /nfs/dbraw/zinc/22/84/54/500228454.db2.gz IRHHOTYYPZHJAA-YADHBBJMSA-N 2 0 350.506 3.407 20 0 FGADRP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)C1 ZINC000418156837 500238950 /nfs/dbraw/zinc/23/89/50/500238950.db2.gz NPJYOHPLXKPHEN-DFQSSKMNSA-N 2 0 372.557 3.056 20 0 FGADRP Cc1ccccc1[C@H]([C@H](C)NC(=O)NC[C@H]1CC[C@H](C[NH3+])CC1)[NH+](C)C ZINC000418175059 500242697 /nfs/dbraw/zinc/24/26/97/500242697.db2.gz FUIAEEXEAFTWCF-JPLJXNOCSA-N 2 0 360.546 3.051 20 0 FGADRP CCC[N@H+](C)[C@@H](CNC(=O)N(C)C1CC[NH2+]CC1)c1ccc(Cl)cc1 ZINC000418185661 500244812 /nfs/dbraw/zinc/24/48/12/500244812.db2.gz RBHCLVAFZWSMTL-SFHVURJKSA-N 2 0 366.937 3.116 20 0 FGADRP C[NH+](Cc1cccc(C[N@@H+](C)[C@@H]2CCCC[C@H]2O)c1)[C@@H]1CCCC[C@H]1O ZINC000426197495 500245839 /nfs/dbraw/zinc/24/58/39/500245839.db2.gz CNJXTQULLIDVFU-GXRSIYKFSA-N 2 0 360.542 3.157 20 0 FGADRP O=C(NCCC[C@H]1CCC[NH2+]1)NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000418246030 500255319 /nfs/dbraw/zinc/25/53/19/500255319.db2.gz SVJYAZXJPZGMID-LEWJYISDSA-N 2 0 372.557 3.120 20 0 FGADRP CC(C)c1ccc([C@H]([NH3+])CNC(=O)N(C)[C@H](C)C2CC[NH+](C)CC2)cc1 ZINC000418322788 500261811 /nfs/dbraw/zinc/26/18/11/500261811.db2.gz FAWCVCAWHCRLAE-OXQOHEQNSA-N 2 0 360.546 3.182 20 0 FGADRP CCCc1csc(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)n1 ZINC000426345633 500262728 /nfs/dbraw/zinc/26/27/28/500262728.db2.gz AHZQTTSCGDWOBC-UHFFFAOYSA-N 2 0 351.560 3.420 20 0 FGADRP [NH3+]CC1CC[NH+](Cc2coc(-c3ccc(Br)cc3)n2)CC1 ZINC000430622967 500263756 /nfs/dbraw/zinc/26/37/56/500263756.db2.gz GSFBLQKBGBGEMI-UHFFFAOYSA-N 2 0 350.260 3.275 20 0 FGADRP CC(C)c1ccc([C@H]([NH3+])CNC(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)cc1 ZINC000418347588 500266070 /nfs/dbraw/zinc/26/60/70/500266070.db2.gz IOCVLFDHMLUDAX-NHCUHLMSSA-N 2 0 372.557 3.470 20 0 FGADRP CC(C)c1ccc([C@H]([NH3+])CNC(=O)N2C[C@H]([NH+]3CCCC3)C[C@H]2C)cc1 ZINC000418363383 500268564 /nfs/dbraw/zinc/26/85/64/500268564.db2.gz VRBICVMYJLCZDV-NSISKUIASA-N 2 0 358.530 3.078 20 0 FGADRP CC[NH+](CC)CCN(Cc1ccccc1)C(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000418405594 500272309 /nfs/dbraw/zinc/27/23/09/500272309.db2.gz BJJBEHLWGJLMKJ-NRFANRHFSA-N 2 0 368.525 3.240 20 0 FGADRP COc1cc(C[N@@H+]2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)ccc1OCC(F)(F)F ZINC000422564725 500275280 /nfs/dbraw/zinc/27/52/80/500275280.db2.gz WSJWJVUQLOLGDQ-NFAWXSAZSA-N 2 0 360.420 3.442 20 0 FGADRP C[C@@H]([NH3+])c1ccc(CNC(=O)N2CC[NH+](CC3CCCCC3)CC2)cc1 ZINC000418455945 500278751 /nfs/dbraw/zinc/27/87/51/500278751.db2.gz FBLQVSXZIDHHJR-QGZVFWFLSA-N 2 0 358.530 3.114 20 0 FGADRP C[NH+](C)CCCC1CCN(C(=O)NCC[NH2+]C2CCCCCC2)CC1 ZINC000418460443 500279670 /nfs/dbraw/zinc/27/96/70/500279670.db2.gz KCXDCKPMEKIXTJ-UHFFFAOYSA-N 2 0 352.567 3.062 20 0 FGADRP C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)NC(C)(C)CC[NH3+])cc2)C1 ZINC000422594372 500279841 /nfs/dbraw/zinc/27/98/41/500279841.db2.gz RIJVBJIRPWOJKZ-IRXDYDNUSA-N 2 0 360.546 3.091 20 0 FGADRP CCCC[N@H+](C)CC1CCN(C(=O)NCc2ccc([C@H](C)[NH3+])cc2)CC1 ZINC000418466763 500280491 /nfs/dbraw/zinc/28/04/91/500280491.db2.gz ROHVHCJCKXOZFD-KRWDZBQOSA-N 2 0 360.546 3.360 20 0 FGADRP C[N@H+](CCCNC(=O)c1ccc2c(ccn2CCC[NH3+])c1)C1CCCCC1 ZINC000430762251 500281604 /nfs/dbraw/zinc/28/16/04/500281604.db2.gz LMCDXVKQZWZVLQ-UHFFFAOYSA-N 2 0 370.541 3.375 20 0 FGADRP c1ccc(CSCC[NH2+]CCCN2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000430767193 500282386 /nfs/dbraw/zinc/28/23/86/500282386.db2.gz XEHMWJIRYIDQIS-UHFFFAOYSA-N 2 0 370.566 3.117 20 0 FGADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)NCc1ccc([C@@H](C)[NH3+])cc1 ZINC000418490067 500283257 /nfs/dbraw/zinc/28/32/57/500283257.db2.gz MQIPVLCNMOPECD-UXPWSPDFSA-N 2 0 360.546 3.406 20 0 FGADRP [NH3+]CCc1ccccc1C(=O)N1CCCN(Cc2ccc(Cl)cc2)CC1 ZINC000579488020 506187039 /nfs/dbraw/zinc/18/70/39/506187039.db2.gz XQYBWGYFCGSZGV-UHFFFAOYSA-N 2 0 371.912 3.189 20 0 FGADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H](C)c1cccc(N2CCCC2=O)c1 ZINC000422708720 500287498 /nfs/dbraw/zinc/28/74/98/500287498.db2.gz YACJWRDDLWLELI-GJZGRUSLSA-N 2 0 352.482 3.387 20 0 FGADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]Cc1cccc(NC(=O)C2CCCCC2)c1 ZINC000422712613 500288568 /nfs/dbraw/zinc/28/85/68/500288568.db2.gz IPWWZPVCRFSADA-RYGJVYDSSA-N 2 0 359.514 3.047 20 0 FGADRP CN(CCC[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1ccccc1F ZINC000422716663 500289076 /nfs/dbraw/zinc/28/90/76/500289076.db2.gz NPUSQOATNXISPD-KNQAVFIVSA-N 2 0 369.484 3.498 20 0 FGADRP C[NH+](C)CCCOc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)cc1 ZINC000422720935 500289806 /nfs/dbraw/zinc/28/98/06/500289806.db2.gz UFZCABQTIHDNFG-FDFHNCONSA-N 3 0 359.558 3.418 20 0 FGADRP COc1ccc(C[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1OC ZINC000422730812 500291696 /nfs/dbraw/zinc/29/16/96/500291696.db2.gz KLKDPCFGXWEXIA-UWJYYQICSA-N 2 0 354.450 3.049 20 0 FGADRP C[C@H](N[C@H]1C[C@H]([NH3+])c2ccccc21)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000422741131 500292230 /nfs/dbraw/zinc/29/22/30/500292230.db2.gz ODONDSKXLQQEOF-JHVJFLLYSA-N 2 0 368.500 3.373 20 0 FGADRP CCCCN1CCCC[C@@H]1C[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422739825 500292465 /nfs/dbraw/zinc/29/24/65/500292465.db2.gz LXOYWDHRNHOLGP-KAGYGMCKSA-N 2 0 357.542 3.487 20 0 FGADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+][C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000422738276 500292641 /nfs/dbraw/zinc/29/26/41/500292641.db2.gz YJOSGTIIHFVKGL-FHLIZLRMSA-N 2 0 355.448 3.257 20 0 FGADRP COc1ccccc1[C@@H](C[NH2+][C@@H](C)c1ccc(C[NH3+])nc1C)N1CCCC1 ZINC000422742410 500292971 /nfs/dbraw/zinc/29/29/71/500292971.db2.gz GHJOLKHOTOHPKG-HRAATJIYSA-N 2 0 368.525 3.345 20 0 FGADRP CC[N@H+](C)Cc1cccc(C[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000422745454 500293209 /nfs/dbraw/zinc/29/32/09/500293209.db2.gz VEMVSQWKBXMQCF-FYYLOGMGSA-N 3 0 365.521 3.484 20 0 FGADRP CC[N@H+](C)Cc1cccc(C[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000422745465 500293230 /nfs/dbraw/zinc/29/32/30/500293230.db2.gz VEMVSQWKBXMQCF-JTHBVZDNSA-N 3 0 365.521 3.484 20 0 FGADRP CCOC(=O)C1([C@@H](C)[NH2+]Cc2ccccc2OCC(C)C)CC[NH2+]CC1 ZINC000422746111 500293835 /nfs/dbraw/zinc/29/38/35/500293835.db2.gz YWQIGBCXBKHYEM-QGZVFWFLSA-N 2 0 362.514 3.132 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)NCc2ccc3c(c2)C[NH2+]C3)C1 ZINC000418590904 500294339 /nfs/dbraw/zinc/29/43/39/500294339.db2.gz UGLYKWSCXFRQRQ-MJGOQNOKSA-N 2 0 370.541 3.086 20 0 FGADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CC1CCN(C(=O)c2ccccc2)CC1 ZINC000422772363 500295722 /nfs/dbraw/zinc/29/57/22/500295722.db2.gz XBUCCTHFZBEVGI-PGRDOPGGSA-N 2 0 365.521 3.087 20 0 FGADRP CN(C)[C@H](C[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1cccs1 ZINC000422772541 500296042 /nfs/dbraw/zinc/29/60/42/500296042.db2.gz YWVGWFRJIZTOLH-MBOZVWFJSA-N 2 0 357.523 3.196 20 0 FGADRP CCOC(=O)C1([C@@H](C)[NH2+][C@@H](c2ccc(F)cc2)C(C)C)CC[NH2+]CC1 ZINC000422781787 500297188 /nfs/dbraw/zinc/29/71/88/500297188.db2.gz JGOQUDLYVSXUNZ-CRAIPNDOSA-N 2 0 350.478 3.434 20 0 FGADRP C[C@H](C[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)Oc1cccc(F)c1 ZINC000422790704 500298292 /nfs/dbraw/zinc/29/82/92/500298292.db2.gz PQSHXWIZJLASIT-VMRPVKRXSA-N 2 0 356.441 3.439 20 0 FGADRP C[C@H](C[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)Oc1cccc(F)c1 ZINC000422790694 500298438 /nfs/dbraw/zinc/29/84/38/500298438.db2.gz PQSHXWIZJLASIT-JJXUHFIVSA-N 2 0 356.441 3.439 20 0 FGADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]C[C@@H](CO)Cc1c(F)cccc1Cl ZINC000422797246 500298992 /nfs/dbraw/zinc/29/89/92/500298992.db2.gz LRMNXLHUQGUPOQ-DKICVRJWSA-N 2 0 364.892 3.178 20 0 FGADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C[C@@H](CO)Cc1c(F)cccc1Cl ZINC000422798929 500299292 /nfs/dbraw/zinc/29/92/92/500299292.db2.gz UHGHQJREQTUIID-OCCSQVGLSA-N 2 0 365.880 3.143 20 0 FGADRP CN(C)[C@H](C[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1ccsc1 ZINC000422809218 500300357 /nfs/dbraw/zinc/30/03/57/500300357.db2.gz RKBFLRSUIUNQIZ-GGPKGHCWSA-N 2 0 357.523 3.196 20 0 FGADRP C[NH+](C)Cc1cccc(C[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000422806102 500300645 /nfs/dbraw/zinc/30/06/45/500300645.db2.gz KAHDOAXSYKUGLS-IFMALSPDSA-N 3 0 351.494 3.094 20 0 FGADRP C[NH+](C)Cc1cccc(C[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000422806104 500300650 /nfs/dbraw/zinc/30/06/50/500300650.db2.gz KAHDOAXSYKUGLS-RBBKRZOGSA-N 3 0 351.494 3.094 20 0 FGADRP c1ccc2c(c1)CCN2CCC[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422812335 500301119 /nfs/dbraw/zinc/30/11/19/500301119.db2.gz XLMLBYNMBVGGRT-REWPJTCUSA-N 2 0 363.505 3.285 20 0 FGADRP CCc1ccccc1[C@@H]([NH3+])CNC(=O)N(C)CCC[N@H+](C)Cc1ccco1 ZINC000418652620 500301247 /nfs/dbraw/zinc/30/12/47/500301247.db2.gz MYLHCLPILLARQK-FQEVSTJZSA-N 2 0 372.513 3.005 20 0 FGADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]Cc1ccc(CN2CCc3ccccc32)cc1 ZINC000422811108 500301290 /nfs/dbraw/zinc/30/12/90/500301290.db2.gz OKIPEBZQDUNAPE-BULFRSBZSA-N 2 0 365.521 3.091 20 0 FGADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]CCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000422821966 500302642 /nfs/dbraw/zinc/30/26/42/500302642.db2.gz ZLQPBTPIKOSNDG-IFMALSPDSA-N 3 0 359.558 3.165 20 0 FGADRP c1cc(C[NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)cc(C[NH+]2CCCCCC2)c1 ZINC000422824677 500302961 /nfs/dbraw/zinc/30/29/61/500302961.db2.gz HVJLFYSAVVFJLT-RJGXRXQPSA-N 3 0 371.569 3.309 20 0 FGADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1ccccc1C[NH+]1CCN(c2ccccc2)CC1 ZINC000422844402 500305034 /nfs/dbraw/zinc/30/50/34/500305034.db2.gz LRNRAIHHESELQD-UXHICEINSA-N 3 0 366.553 3.224 20 0 FGADRP C[C@@H]([NH3+])[C@H](Cc1ccccc1)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000422841253 500305048 /nfs/dbraw/zinc/30/50/48/500305048.db2.gz CTKDYNGUDUBRSH-XXBNENTESA-N 2 0 351.538 3.242 20 0 FGADRP C[NH+](C)CCN(Cc1ccccc1)C(=O)N[C@@H](CCC[NH3+])c1ccccc1 ZINC000418669837 500305105 /nfs/dbraw/zinc/30/51/05/500305105.db2.gz JZQSUXFIOWNEPB-NRFANRHFSA-N 2 0 368.525 3.240 20 0 FGADRP COc1ccccc1N1CC[C@@H](C[NH2+][C@H](C)c2ccc(C[NH3+])nc2C)C1 ZINC000422850815 500305306 /nfs/dbraw/zinc/30/53/06/500305306.db2.gz ODKAYPFCEKSDDG-WBVHZDCISA-N 2 0 354.498 3.034 20 0 FGADRP C[C@H](CCCC[NH3+])[NH2+]C[C@H](c1ccc(C(F)(F)F)cc1)N1CCOCC1 ZINC000422847473 500305392 /nfs/dbraw/zinc/30/53/92/500305392.db2.gz IJIGMXZUZMWQJC-CRAIPNDOSA-N 2 0 373.463 3.186 20 0 FGADRP C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)C1 ZINC000418678430 500306756 /nfs/dbraw/zinc/30/67/56/500306756.db2.gz CKCAPESTJKMLCM-LWYYNNOASA-N 2 0 364.578 3.048 20 0 FGADRP C[C@H](CCC[NH3+])[NH2+][C@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000422873055 500308022 /nfs/dbraw/zinc/30/80/22/500308022.db2.gz JQDWMAVIDVLWEI-PWSUYJOCSA-N 2 0 350.816 3.050 20 0 FGADRP C[C@@H]([NH3+])C1CC[NH+](CC(=O)N[C@H](c2cccs2)c2ccccc2)CC1 ZINC000430931032 500308972 /nfs/dbraw/zinc/30/89/72/500308972.db2.gz CCBTVDMPCSWNIS-QRWLVFNGSA-N 2 0 357.523 3.013 20 0 FGADRP C[C@@H]1C[N@H+](CCC(=O)N[C@H](c2cccs2)c2ccccc2)CC[C@@H]1[NH3+] ZINC000430932327 500309324 /nfs/dbraw/zinc/30/93/24/500309324.db2.gz DZMUFHBPDSURGG-SYNHAJSKSA-N 2 0 357.523 3.013 20 0 FGADRP COC1CC[NH+](C2(CN[C@@H]3CCC[C@@H]3[C@@H]3CCCC[NH2+]3)CCCC2)CC1 ZINC000422888280 500311892 /nfs/dbraw/zinc/31/18/92/500311892.db2.gz MJSGNGAAVJUWCN-QHAWAJNXSA-N 2 0 363.590 3.310 20 0 FGADRP COc1ccc(C2(C[NH2+][C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)CCOCC2)cc1 ZINC000422897134 500313155 /nfs/dbraw/zinc/31/31/55/500313155.db2.gz JCQLLYGVOQQLRM-PWRODBHTSA-N 2 0 358.526 3.254 20 0 FGADRP COc1ccc(C2(C[NH2+][C@H](Cc3ccccc3)[C@@H](C)[NH3+])CCOCC2)cc1 ZINC000422899688 500313283 /nfs/dbraw/zinc/31/32/83/500313283.db2.gz OXLABXSHNNLCIK-XMSQKQJNSA-N 2 0 368.521 3.292 20 0 FGADRP C[C@@H]([NH2+]C[C@H]1CCN(c2cccc(Br)c2)C1)[C@@H]1CCCC[NH2+]1 ZINC000422903519 500313697 /nfs/dbraw/zinc/31/36/97/500313697.db2.gz WHPITGQNKUDPSX-RKVPGOIHSA-N 2 0 366.347 3.396 20 0 FGADRP Fc1ccc(CN2CCC[C@H]([NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)c(Cl)c1 ZINC000422904633 500313866 /nfs/dbraw/zinc/31/38/66/500313866.db2.gz HEIJXQQTJDVGCC-KTGAGVNESA-N 2 0 351.897 3.316 20 0 FGADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H]1CCCN(Cc2c(F)cccc2F)C1 ZINC000422906881 500314500 /nfs/dbraw/zinc/31/45/00/500314500.db2.gz KNPXCJQJIDNTNC-DOTOQJQBSA-N 2 0 374.479 3.442 20 0 FGADRP COc1cccc(N2CC[C@H](C[NH2+][C@@H]3CCC[C@@H]3[C@H]3CCCC[NH2+]3)C2)c1 ZINC000422906238 500314694 /nfs/dbraw/zinc/31/46/94/500314694.db2.gz UTTXETXBJVOVIL-BRKWEVRTSA-N 2 0 357.542 3.422 20 0 FGADRP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCc1nc(-c2ccncc2)cs1 ZINC000422907980 500314739 /nfs/dbraw/zinc/31/47/39/500314739.db2.gz CNRDFWUFDBSMAM-QAPCUYQASA-N 2 0 352.507 3.296 20 0 FGADRP Fc1cccc(F)c1CN1CCC[C@H]([NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000422909151 500315339 /nfs/dbraw/zinc/31/53/39/500315339.db2.gz NLWWBBZDVITTBW-SNHGZMDHSA-N 2 0 363.496 3.440 20 0 FGADRP CCOC(=O)C1([C@@H](C)[NH2+][C@@H]2CCSc3ccc(F)cc32)CC[NH2+]CC1 ZINC000422909007 500315696 /nfs/dbraw/zinc/31/56/96/500315696.db2.gz FBHIRDKDXHGHJX-CZUORRHYSA-N 2 0 366.502 3.274 20 0 FGADRP CCOC(=O)C1([C@@H](C)[NH2+]C[C@H](CC)Oc2cccc(C)c2)CC[NH2+]CC1 ZINC000422922051 500316905 /nfs/dbraw/zinc/31/69/05/500316905.db2.gz RQGXSCOPLSFKNG-MSOLQXFVSA-N 2 0 362.514 3.063 20 0 FGADRP O=C(c1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1)N1CCCCC1 ZINC000422926208 500317834 /nfs/dbraw/zinc/31/78/34/500317834.db2.gz CSWYVBFOXKOABD-QHAWAJNXSA-N 2 0 355.526 3.323 20 0 FGADRP Cc1sc(CC[NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)nc1-c1ccccc1 ZINC000422930642 500318351 /nfs/dbraw/zinc/31/83/51/500318351.db2.gz VIMOCMRBROPXEL-IPMKNSEASA-N 2 0 371.550 3.408 20 0 FGADRP CCOC(=O)C1([C@H](C)[NH2+]CCOc2ccc(C(C)C)cc2)CC[NH2+]CC1 ZINC000422934038 500319003 /nfs/dbraw/zinc/31/90/03/500319003.db2.gz CBUKAPKKUKNDBG-KRWDZBQOSA-N 2 0 362.514 3.100 20 0 FGADRP CCOC(=O)C1([C@H](C)[NH2+]CCc2cccc(Cl)c2Cl)CC[NH2+]CC1 ZINC000422938142 500319651 /nfs/dbraw/zinc/31/96/51/500319651.db2.gz GNXLVYRAUKOPCW-ZDUSSCGKSA-N 2 0 373.324 3.447 20 0 FGADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]CCc1ccc(OCc2ccccc2)cc1 ZINC000422935171 500319921 /nfs/dbraw/zinc/31/99/21/500319921.db2.gz DEMQOCQNCKZYPE-WTOYTKOKSA-N 2 0 354.494 3.150 20 0 FGADRP CC[N@H+](CCC1CCN(C(=O)NCCC[C@@H]2CCC[NH2+]2)CC1)CC(C)C ZINC000418766890 500319967 /nfs/dbraw/zinc/31/99/67/500319967.db2.gz KTCDRHOHERBBMH-FQEVSTJZSA-N 2 0 366.594 3.308 20 0 FGADRP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000418768413 500320885 /nfs/dbraw/zinc/32/08/85/500320885.db2.gz MBHMTWDGFKYZRI-RTWAWAEBSA-N 2 0 372.557 3.072 20 0 FGADRP C[C@H]([NH2+]C[C@@H]1CCN(c2ccc(Br)cc2)C1)[C@@H]1CCC[NH2+]1 ZINC000422942059 500320974 /nfs/dbraw/zinc/32/09/74/500320974.db2.gz JYOUBAGZYGRITE-ZQIUZPCESA-N 2 0 352.320 3.006 20 0 FGADRP CSC1(C[NH2+]Cc2c(F)cccc2N2CCCC2)CC[NH+](C)CC1 ZINC000573409798 506189230 /nfs/dbraw/zinc/18/92/30/506189230.db2.gz RVPYVEIUFBSBKY-UHFFFAOYSA-N 2 0 351.535 3.343 20 0 FGADRP CCOC(=O)C1([C@@H](C)[NH2+]Cc2ccc(OC3CCCC3)cc2)CC[NH2+]CC1 ZINC000422946000 500321780 /nfs/dbraw/zinc/32/17/80/500321780.db2.gz ODSUIVPDQMJVCN-QGZVFWFLSA-N 2 0 374.525 3.419 20 0 FGADRP CC(C)n1cc2c(n1)C[C@H]([NH2+][C@@H]1C[C@@]3(CC[NH2+]C3)Oc3ccccc31)CC2 ZINC000422948108 500322027 /nfs/dbraw/zinc/32/20/27/500322027.db2.gz ZSBAOIZRACZICI-NQSCKRDGSA-N 2 0 366.509 3.167 20 0 FGADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000422951283 500322392 /nfs/dbraw/zinc/32/23/92/500322392.db2.gz XVYCWHARBYYVQZ-RLFYNMQTSA-N 2 0 366.347 3.383 20 0 FGADRP CCN(C(=O)NCCC[C@@H]1CCC[NH2+]1)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000418780671 500322572 /nfs/dbraw/zinc/32/25/72/500322572.db2.gz YOPKGHFXYGCZDJ-JBACZVJFSA-N 2 0 372.557 3.386 20 0 FGADRP Cc1cc(Br)ccc1C[NH2+][C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC000422955231 500323398 /nfs/dbraw/zinc/32/33/98/500323398.db2.gz IZTFRMZQCSNBAJ-GVDBMIGSSA-N 2 0 353.304 3.004 20 0 FGADRP C[C@@H]1CC[N@H+](CCOc2ccc(NC(=O)[C@@H]3C[C@@H]4CCCC[C@@H]4[NH2+]3)cc2)C1 ZINC000431018982 500324121 /nfs/dbraw/zinc/32/41/21/500324121.db2.gz ZEOMPCWULQLQMW-SEONNTABSA-N 2 0 371.525 3.266 20 0 FGADRP [NH3+][C@@H]1C[C@@H](Nc2cccc(C[NH+]3CCC(CO)CC3)c2)c2ccccc21 ZINC000422977587 500326148 /nfs/dbraw/zinc/32/61/48/500326148.db2.gz FXKNAJNKKRRKOM-FGZHOGPDSA-N 2 0 351.494 3.448 20 0 FGADRP Fc1cc(Br)cc(OCC[NH+]2CCC3(CC[NH2+]C3)CC2)c1 ZINC000431036579 500326329 /nfs/dbraw/zinc/32/63/29/500326329.db2.gz JRDKSWBOCGMWPF-UHFFFAOYSA-N 2 0 357.267 3.043 20 0 FGADRP CCOC(=O)C1([C@@H](C)[NH2+]C[C@H](Nc2ccccc2)C(C)C)CC[NH2+]CC1 ZINC000422982378 500327253 /nfs/dbraw/zinc/32/72/53/500327253.db2.gz WLSJWMQTDPGZTL-MJGOQNOKSA-N 2 0 361.530 3.034 20 0 FGADRP CCC1(C[NH2+][C@@H](C)C[C@@H]2COCCN2)CC[NH+](Cc2ccccc2)CC1 ZINC000423003521 500329980 /nfs/dbraw/zinc/32/99/80/500329980.db2.gz MOXQBZBWJNKISB-PZJWPPBQSA-N 2 0 359.558 3.035 20 0 FGADRP CCOC(=O)C1([C@@H](C)[NH2+][C@H](CC)CSc2ccccc2)CC[NH2+]CC1 ZINC000423007852 500330449 /nfs/dbraw/zinc/33/04/49/500330449.db2.gz YTRLOVPEPOMSAO-IAGOWNOFSA-N 2 0 364.555 3.468 20 0 FGADRP COc1cc(Br)ccc1CCC[NH2+][C@@H]1CC[NH2+]CC[C@@H]1C ZINC000423028389 500332889 /nfs/dbraw/zinc/33/28/89/500332889.db2.gz GJFFUIHOTXMZGT-XJKSGUPXSA-N 2 0 355.320 3.368 20 0 FGADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@@H]1CSCCN1Cc1ccccc1 ZINC000423074612 500338622 /nfs/dbraw/zinc/33/86/22/500338622.db2.gz MIIHZXBHFSYYES-OXJNMPFZSA-N 2 0 370.566 3.117 20 0 FGADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C[C@H]1CSCCN1Cc1ccccc1 ZINC000423074614 500338630 /nfs/dbraw/zinc/33/86/30/500338630.db2.gz MIIHZXBHFSYYES-UZLBHIALSA-N 2 0 370.566 3.117 20 0 FGADRP O[C@@H]1CCC[C@]1(C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)Cc1ccc(F)cc1 ZINC000423079394 500339052 /nfs/dbraw/zinc/33/90/52/500339052.db2.gz YFYGQZDNNVJACJ-ZSYZGHEHSA-N 2 0 360.517 3.410 20 0 FGADRP C[C@H](CCc1ccc(I)cc1)[NH2+][C@@H](C)CCC[NH3+] ZINC000423106336 500343026 /nfs/dbraw/zinc/34/30/26/500343026.db2.gz ZQPJJGWQRCFINC-QWHCGFSZSA-N 2 0 360.283 3.329 20 0 FGADRP CCC[N@H+](C)[C@H](CN[C@@H]1CCOC[C@H]1[C@H](C)[NH3+])c1ccc(Cl)cc1 ZINC000423104676 500343181 /nfs/dbraw/zinc/34/31/81/500343181.db2.gz MKHNCYONXXCRCG-WQANXHIZSA-N 2 0 353.938 3.065 20 0 FGADRP CCOC(=O)C1([C@H](C)[NH2+][C@@H]2CCCC[C@H]2OCCC(C)C)CC[NH2+]CC1 ZINC000423104772 500343312 /nfs/dbraw/zinc/34/33/12/500343312.db2.gz YOIFBHVPMVOMEY-IPMKNSEASA-N 2 0 368.562 3.271 20 0 FGADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000423111105 500344031 /nfs/dbraw/zinc/34/40/31/500344031.db2.gz VUMPXYSZNSLBBU-MRXNPFEDSA-N 3 0 368.525 3.173 20 0 FGADRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@@H]1CCCN(C(=O)CCC(F)(F)F)C1 ZINC000423112956 500344138 /nfs/dbraw/zinc/34/41/38/500344138.db2.gz SYNSPIBYKWKORW-HRCADAONSA-N 2 0 363.468 3.220 20 0 FGADRP C[C@@H](NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2)[C@@H]1CCCC[NH2+]1 ZINC000423127649 500345876 /nfs/dbraw/zinc/34/58/76/500345876.db2.gz CGTQQNWQFLFDLL-HJNYFJLDSA-N 3 0 371.569 3.035 20 0 FGADRP C[C@H]([NH2+]CCCN1CC[NH2+]CC1)c1ccc(SCC(F)(F)F)cc1 ZINC000423175008 500351158 /nfs/dbraw/zinc/35/11/58/500351158.db2.gz COUYIGOJTCVZAK-AWEZNQCLSA-N 2 0 361.477 3.287 20 0 FGADRP C[C@H]([NH2+]CCCN1CC[NH2+]CC1)c1ccc2ccccc2c1OC(F)F ZINC000423179507 500351918 /nfs/dbraw/zinc/35/19/18/500351918.db2.gz MIGANMLTPGRHLW-HNNXBMFYSA-N 2 0 363.452 3.387 20 0 FGADRP C[C@H]([NH2+]C1CCC([NH3+])CC1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000423221485 500355787 /nfs/dbraw/zinc/35/57/87/500355787.db2.gz WVKYBXILHWJRRT-OOHWJJMZSA-N 2 0 350.528 3.323 20 0 FGADRP C[C@H](C[NH3+])C[NH2+][C@@H](C)CC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000423302350 500362330 /nfs/dbraw/zinc/36/23/30/500362330.db2.gz HEGJZTCRCVIGDS-ZJUUUORDSA-N 2 0 351.800 3.260 20 0 FGADRP C[NH+](C)CCOc1cccc(NC(=O)C(C)(C)[C@@H]([NH3+])c2ccccc2)c1 ZINC000423340770 500365253 /nfs/dbraw/zinc/36/52/53/500365253.db2.gz TYAVICKJJGQCIE-IBGZPJMESA-N 2 0 355.482 3.292 20 0 FGADRP COc1ccc(C[C@H]([NH2+]CC2=CC[NH2+]CC2)c2ccc(OC)cc2)cc1 ZINC000423346990 500366336 /nfs/dbraw/zinc/36/63/36/500366336.db2.gz PWBKMJYBLLYRNB-QFIPXVFZSA-N 2 0 352.478 3.497 20 0 FGADRP CSc1ccc([C@H](C)[NH2+]C[C@@H](N2CC[NH2+]CC2)C(F)(F)F)cc1F ZINC000423379200 500369161 /nfs/dbraw/zinc/36/91/61/500369161.db2.gz GKCCXMGJKHNYKB-XHDPSFHLSA-N 2 0 365.440 3.034 20 0 FGADRP C[C@H]([NH2+][C@@H]1CC[NH2+]C[C@H]1C)c1ccc(OC[C@H]2CCCCO2)c(F)c1 ZINC000423399640 500370615 /nfs/dbraw/zinc/37/06/15/500370615.db2.gz PSPPDFSVWWQKSZ-LORHWOILSA-N 2 0 350.478 3.422 20 0 FGADRP FC(F)(F)[C@@H](C[NH2+][C@@H](c1ccc(Cl)cc1)C1CC1)N1CC[NH2+]CC1 ZINC000423404280 500370889 /nfs/dbraw/zinc/37/08/89/500370889.db2.gz ZSGXYWUFXUOOIP-HZPDHXFCSA-N 2 0 361.839 3.217 20 0 FGADRP COC[C@@]1(CN[C@@H](Cc2cccnc2)c2ccc(Cl)cc2)CCC[NH2+]1 ZINC000423408885 500372004 /nfs/dbraw/zinc/37/20/04/500372004.db2.gz BAZOUUGKNTZPBE-PMACEKPBSA-N 2 0 359.901 3.377 20 0 FGADRP COCCOc1ccc([C@H](C)[NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)cc1OC ZINC000423417855 500372860 /nfs/dbraw/zinc/37/28/60/500372860.db2.gz GHAAZEICZRYCJK-ULQDDVLXSA-N 2 0 350.503 3.136 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)C[C@@H]1CCC[NH2+]CC1 ZINC000427273107 500376328 /nfs/dbraw/zinc/37/63/28/500376328.db2.gz HLPNRNCDOTUPAQ-RTBURBONSA-N 2 0 357.542 3.457 20 0 FGADRP CCc1ccccc1[C@H]([NH3+])CN[C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000423518028 500381400 /nfs/dbraw/zinc/38/14/00/500381400.db2.gz ZAUXIEQGGAXLRR-YHYVQYDKSA-N 2 0 352.526 3.144 20 0 FGADRP NC1(C[NH2+]C2CCC(C(F)F)CC2)CC[NH+](Cc2ccccc2)CC1 ZINC000423579413 500386166 /nfs/dbraw/zinc/38/61/66/500386166.db2.gz WDPJVASXZZETCG-UHFFFAOYSA-N 2 0 351.485 3.393 20 0 FGADRP [NH3+]C1CC[NH+](CCCC(=O)N2CCCC[C@@H]2CCc2ccccc2)CC1 ZINC000423756917 500399549 /nfs/dbraw/zinc/39/95/49/500399549.db2.gz LOHSIHQLOWNDFF-OAQYLSRUSA-N 2 0 357.542 3.204 20 0 FGADRP C[C@H](C(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1)[C@H]([NH3+])c1ccccc1 ZINC000423770146 500400253 /nfs/dbraw/zinc/40/02/53/500400253.db2.gz ZMLUPWVJEVQILZ-JXFKEZNVSA-N 2 0 357.473 3.052 20 0 FGADRP C[N@@H+]1CCCC[C@H]1CCC(=O)NC[C@@H]1CCC[NH+](Cc2cccs2)C1 ZINC000431779983 500423999 /nfs/dbraw/zinc/42/39/99/500423999.db2.gz WBRLTKGGCGIANK-ROUUACIJSA-N 2 0 363.571 3.341 20 0 FGADRP CC[N@H+](Cc1ccc(C(=O)N2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cc1)C1CC1 ZINC000423957653 500424240 /nfs/dbraw/zinc/42/42/40/500424240.db2.gz AULNIBMPEGENIA-TZIWHRDSSA-N 2 0 355.526 3.275 20 0 FGADRP Cc1cc(N2CCC[C@H](n3cc(C[NH3+])nn3)C2)c2cc(Cl)cc(C)c2[nH+]1 ZINC000420285389 500433919 /nfs/dbraw/zinc/43/39/19/500433919.db2.gz OYUCGOQZTKKMBJ-INIZCTEOSA-N 2 0 370.888 3.397 20 0 FGADRP Ic1ccccc1[C@@H]1CCC[N@@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000420295728 500435912 /nfs/dbraw/zinc/43/59/12/500435912.db2.gz CNMXMLWSOYEVPM-BBRMVZONSA-N 2 0 370.278 3.428 20 0 FGADRP O=C(c1cccc(Cl)c1Cl)N1CC[NH+](CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000420296853 500436050 /nfs/dbraw/zinc/43/60/50/500436050.db2.gz CEDBAZNHTXQIRD-AWEZNQCLSA-N 2 0 370.324 3.141 20 0 FGADRP Ic1ccccc1[C@@H]1CCC[N@@H+]1CC[C@H]1CC[NH2+]C1 ZINC000420295729 500436077 /nfs/dbraw/zinc/43/60/77/500436077.db2.gz CNMXMLWSOYEVPM-CJNGLKHVSA-N 2 0 370.278 3.428 20 0 FGADRP C[C@H](CC1CCCC1)C(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000424020785 500437954 /nfs/dbraw/zinc/43/79/54/500437954.db2.gz PRRWTIBHZTUYOK-GOSISDBHSA-N 2 0 357.542 3.313 20 0 FGADRP COc1ccc([C@H](C[NH3+])CN2CCC[C@H](C[NH+]3CCCCCC3)C2)cc1 ZINC000420313139 500439081 /nfs/dbraw/zinc/43/90/81/500439081.db2.gz IPRDXXVCRLWOHQ-TZIWHRDSSA-N 2 0 359.558 3.326 20 0 FGADRP O=C(Nc1ccc(F)c(Cl)c1)C1CC[NH+](CC[C@@H]2CC[NH2+]C2)CC1 ZINC000420311879 500439084 /nfs/dbraw/zinc/43/90/84/500439084.db2.gz WEYOCTGCSLBBTN-ZDUSSCGKSA-N 2 0 353.869 3.129 20 0 FGADRP [NH3+]C1(CNC(=O)CCC2CCCCC2)CC[NH+](Cc2ccccc2)CC1 ZINC000424038454 500441123 /nfs/dbraw/zinc/44/11/23/500441123.db2.gz LVSIWXZFJACGRC-UHFFFAOYSA-N 2 0 357.542 3.457 20 0 FGADRP C[C@H](C(=O)N1CCC[C@@H]1c1cccs1)[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420324627 500442017 /nfs/dbraw/zinc/44/20/17/500442017.db2.gz HLAUOAOGWDZMQS-XMTFNYHQSA-N 2 0 361.555 3.122 20 0 FGADRP C[C@H](c1ccc(Cl)cc1)N(C)C(=O)C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000420329868 500442357 /nfs/dbraw/zinc/44/23/57/500442357.db2.gz AAJBWDDPGDNAOA-BEFAXECRSA-N 2 0 363.933 3.323 20 0 FGADRP c1cn2c(n1)C[C@H]([NH2+][C@H]1CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]31)CC2 ZINC000427884784 500442587 /nfs/dbraw/zinc/44/25/87/500442587.db2.gz HEESBUKEVJTIPN-BQJUDKOJSA-N 2 0 350.510 3.088 20 0 FGADRP [NH3+]C[C@@H]1C[N@H+](CCCOc2cccc3ccccc32)CC12CCOCC2 ZINC000420332147 500443006 /nfs/dbraw/zinc/44/30/06/500443006.db2.gz RJXRQYHJCRQUMC-LJQANCHMSA-N 2 0 354.494 3.296 20 0 FGADRP O=C(CC[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1)Nc1cccc(C(F)(F)F)c1 ZINC000582360877 506195872 /nfs/dbraw/zinc/19/58/72/506195872.db2.gz WDJPQQQSNDLQGA-OAHLLOKOSA-N 2 0 369.431 3.356 20 0 FGADRP [NH3+]Cc1cn([C@H]2CCCN(Cc3csc(C4CCCCC4)n3)C2)nn1 ZINC000420379096 500450872 /nfs/dbraw/zinc/45/08/72/500450872.db2.gz MNFFJYWFLYXOQT-KRWDZBQOSA-N 2 0 360.531 3.078 20 0 FGADRP [NH3+][C@@H]1CCO[C@@H](C2CC[NH+](CCCOc3cccc(Cl)c3)CC2)C1 ZINC000420381988 500452118 /nfs/dbraw/zinc/45/21/18/500452118.db2.gz DBDPBYLGRYZZPP-IEBWSBKVSA-N 2 0 352.906 3.327 20 0 FGADRP [NH3+][C@@H]1CCO[C@@H](C2CC[NH+](CCOc3ccc(F)cc3Cl)CC2)C1 ZINC000420383821 500452872 /nfs/dbraw/zinc/45/28/72/500452872.db2.gz FRHGHHHXVMYEBA-CRAIPNDOSA-N 2 0 356.869 3.076 20 0 FGADRP [NH3+][C@@H]1CCO[C@@H](C2CC[NH+](Cc3ncc(-c4cccc(F)c4)o3)CC2)C1 ZINC000420395342 500454698 /nfs/dbraw/zinc/45/46/98/500454698.db2.gz UBFIDLDVZZJAPT-QZTJIDSGSA-N 2 0 359.445 3.199 20 0 FGADRP CC(C)n1cncc1C[NH2+]CCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000424172898 500463383 /nfs/dbraw/zinc/46/33/83/500463383.db2.gz LQFHCUTZBIWXNL-UHFFFAOYSA-N 2 0 356.514 3.271 20 0 FGADRP C[C@H]1C[N@H+](CCCNCc2csc(-c3cccs3)n2)CCCO1 ZINC000432363066 500504909 /nfs/dbraw/zinc/50/49/09/500504909.db2.gz RXWHEWQZHWUWHV-AWEZNQCLSA-N 2 0 351.541 3.462 20 0 FGADRP Cc1cc(Br)ccc1C[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000432364641 500505395 /nfs/dbraw/zinc/50/53/95/500505395.db2.gz KRUGGIWPYLGOBR-HNNXBMFYSA-N 2 0 355.320 3.348 20 0 FGADRP COc1ccc(C[NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)cc1OCC(C)C ZINC000432364362 500505742 /nfs/dbraw/zinc/50/57/42/500505742.db2.gz HWRGNQIHLGSSKU-GOSISDBHSA-N 2 0 364.530 3.321 20 0 FGADRP Cc1cc(C[NH3+])cc(NC(=O)N[C@@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)c1 ZINC000424443373 500506723 /nfs/dbraw/zinc/50/67/23/500506723.db2.gz JYWGPSBSSAZFEO-VQIMIIECSA-N 2 0 352.482 3.411 20 0 FGADRP OCC[C@@H]1CCC[NH+](CCCCC[N@H+]2CCC[C@H](CCO)CC2)CC1 ZINC000421020639 500555810 /nfs/dbraw/zinc/55/58/10/500555810.db2.gz RIJPEFXORBKODN-OYRHEFFESA-N 2 0 354.579 3.126 20 0 FGADRP C[NH+]1CCN(c2ccc(C[NH2+]Cc3ccc(C(F)(F)F)s3)cn2)CC1 ZINC000428848458 500565402 /nfs/dbraw/zinc/56/54/02/500565402.db2.gz HYVFDSCOMFSAHE-UHFFFAOYSA-N 2 0 370.444 3.204 20 0 FGADRP O=C(C[NH2+][C@@H]1CC2CCC1CC2)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000433063987 500616721 /nfs/dbraw/zinc/61/67/21/500616721.db2.gz VLIFRCZMTMRLHD-FBPXKMNZSA-N 2 0 355.526 3.067 20 0 FGADRP C[C@@H]1C[NH+](Cc2ccccc2C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)C[C@@H](C)O1 ZINC000447535289 500619411 /nfs/dbraw/zinc/61/94/11/500619411.db2.gz DZTBZXOJANZEFV-CQQLTZKSSA-N 2 0 358.526 3.199 20 0 FGADRP CCc1ccc([C@@H](CN2CCOCC2)[NH2+]CC2CC[NH+](C3CC3)CC2)cc1 ZINC000447570690 500626817 /nfs/dbraw/zinc/62/68/17/500626817.db2.gz HHOQBKBJGQIKAQ-HSZRJFAPSA-N 2 0 371.569 3.086 20 0 FGADRP [NH3+]C1CC[NH+](CCCC(=O)Nc2ccc(-c3cnc(C4CC4)o3)cc2)CC1 ZINC000433117090 500629760 /nfs/dbraw/zinc/62/97/60/500629760.db2.gz NSPONLXDJLFETA-UHFFFAOYSA-N 2 0 368.481 3.361 20 0 FGADRP CCn1cc(CC[N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)cn1 ZINC000433124411 500631369 /nfs/dbraw/zinc/63/13/69/500631369.db2.gz CCXHBSQHSBWWEU-UHFFFAOYSA-N 2 0 352.526 3.434 20 0 FGADRP CCOc1cccc2cc([C@H](C)NC(=O)CCC[NH+]3CCC([NH3+])CC3)oc21 ZINC000433156683 500635749 /nfs/dbraw/zinc/63/57/49/500635749.db2.gz KCCUIVHBMJUADL-HNNXBMFYSA-N 2 0 373.497 3.212 20 0 FGADRP [NH3+]C1CC[NH+](CCCC(=O)Nc2nc(/C=C\c3ccccc3)cs2)CC1 ZINC000433162029 500637752 /nfs/dbraw/zinc/63/77/52/500637752.db2.gz LFGTVMMCDOICGF-HJWRWDBZSA-N 2 0 370.522 3.455 20 0 FGADRP C[C@@H](C(=O)N1CCC(c2ncc3n2CCCC3)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000447673235 500642703 /nfs/dbraw/zinc/64/27/03/500642703.db2.gz SNKZYSXDEAOJBQ-BBWFWOEESA-N 2 0 358.530 3.187 20 0 FGADRP C[NH+](C)Cc1cccc(C(=O)Nc2cccc3c2OCC[C@@H]3[NH+](C)C)c1 ZINC000447724903 500654140 /nfs/dbraw/zinc/65/41/40/500654140.db2.gz ZDLLPQIVNVUSRT-IBGZPJMESA-N 2 0 353.466 3.386 20 0 FGADRP [NH3+]CC[C@H]1CCC[N@H+](CC(=O)N[C@H](c2cccs2)c2ccccc2)C1 ZINC000443058246 500670244 /nfs/dbraw/zinc/67/02/44/500670244.db2.gz JVPBFVOYOIAZMC-UZLBHIALSA-N 2 0 357.523 3.015 20 0 FGADRP C[C@H](NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](CC[NH3+])C1)c1ccc2ccccc2c1 ZINC000443068986 500674373 /nfs/dbraw/zinc/67/43/73/500674373.db2.gz JCZYCQUZCPRHJL-BZSNNMDCSA-N 2 0 353.510 3.466 20 0 FGADRP C[NH+](C)Cc1cccc(CNC(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)c1 ZINC000437657920 500677085 /nfs/dbraw/zinc/67/70/85/500677085.db2.gz DKHBYYAQMPJOHV-OAQYLSRUSA-N 2 0 372.557 3.345 20 0 FGADRP C[NH+](C)Cc1cccc(CNC(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)c1 ZINC000437657919 500677286 /nfs/dbraw/zinc/67/72/86/500677286.db2.gz DKHBYYAQMPJOHV-NRFANRHFSA-N 2 0 372.557 3.345 20 0 FGADRP C[C@H](c1cc2ccccc2o1)N(C)C(=O)CN1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000573564313 506212546 /nfs/dbraw/zinc/21/25/46/506212546.db2.gz DIMVJCONAZRGBP-BZZMCLGOSA-N 2 0 355.482 3.011 20 0 FGADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)NC[C@@H]1[NH+](C)CCCC1(C)C ZINC000447966826 500697887 /nfs/dbraw/zinc/69/78/87/500697887.db2.gz LDOHNGADPUTPAA-FQEVSTJZSA-N 2 0 374.573 3.446 20 0 FGADRP C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+]C1CCC([NH3+])CC1 ZINC000437802543 500698728 /nfs/dbraw/zinc/69/87/28/500698728.db2.gz RGBFKLVVLZGPSP-PNESKVBLSA-N 2 0 359.392 3.162 20 0 FGADRP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCCC[C@H]2CCCc2ccccc2)CC1 ZINC000443640860 500748642 /nfs/dbraw/zinc/74/86/42/500748642.db2.gz OHDRRFHITRLLJQ-QFIPXVFZSA-N 2 0 371.569 3.464 20 0 FGADRP CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000570718186 506215117 /nfs/dbraw/zinc/21/51/17/506215117.db2.gz RYXDTBBGYXXCNK-OAQYLSRUSA-N 2 0 369.553 3.135 20 0 FGADRP CC1CC[NH+](C[C@@H]2CCCN(C(=O)[C@@H]3CCC[N@@H+]3C3CCCC3)C2)CC1 ZINC000438565369 500802275 /nfs/dbraw/zinc/80/22/75/500802275.db2.gz CFEFOFZGMXESHV-FPOVZHCZSA-N 2 0 361.574 3.364 20 0 FGADRP O=C([C@H]1CCC[N@@H+]1C1CCCC1)N1CCC[NH+](Cc2ccccc2)CC1 ZINC000438576818 500803772 /nfs/dbraw/zinc/80/37/72/500803772.db2.gz KLUNFHVDBKMKIJ-OAQYLSRUSA-N 2 0 355.526 3.128 20 0 FGADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)NC[C@H]1CCCC[N@@H+]1C1CC1)c1ccccc1 ZINC000434348021 500829456 /nfs/dbraw/zinc/82/94/56/500829456.db2.gz CXVJSNWVLCKYJQ-YLJYHZDGSA-N 2 0 372.557 3.432 20 0 FGADRP C[C@@H]1CC(C)(C)C[C@H]1[NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000434778061 500893159 /nfs/dbraw/zinc/89/31/59/500893159.db2.gz ROAKLBBIRYSIRX-YLJYHZDGSA-N 2 0 357.542 3.427 20 0 FGADRP COc1cc(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)cc2ccccc21 ZINC000449037125 500907345 /nfs/dbraw/zinc/90/73/45/500907345.db2.gz MJRBWXMGNKYERY-GCJKJVERSA-N 2 0 367.537 3.306 20 0 FGADRP C[C@@H]1C[N@@H+](CCCC[NH2+]Cc2cn(C)nc2-c2ccc(F)cc2)C[C@H](C)O1 ZINC000449105570 500926682 /nfs/dbraw/zinc/92/66/82/500926682.db2.gz YYLQRKFFITZWPL-CALCHBBNSA-N 2 0 374.504 3.205 20 0 FGADRP C[C@@H](Cc1ccoc1)[NH2+]Cc1cccc(OCC[N@H+](C)C2CCOCC2)c1 ZINC000449115338 500928639 /nfs/dbraw/zinc/92/86/39/500928639.db2.gz HCAMQHOBWQPOBL-SFHVURJKSA-N 2 0 372.509 3.490 20 0 FGADRP C([C@@H]1CCOC1)[NH+]1CCC([NH2+]C2CCC(OC3CCCC3)CC2)CC1 ZINC000449163809 500937843 /nfs/dbraw/zinc/93/78/43/500937843.db2.gz XCVWOVNQAKYPIL-XPQZIERPSA-N 2 0 350.547 3.347 20 0 FGADRP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+]C[C@H](C)c2ccc(S(C)(=O)=O)cc2)C1 ZINC000449203609 500947050 /nfs/dbraw/zinc/94/70/50/500947050.db2.gz HMENSNWPWXEHGO-ROUUACIJSA-N 2 0 366.571 3.151 20 0 FGADRP CCO[C@@H]1C[C@H]([NH2+]C2CC[NH+]([C@@H](C)Cc3ccccc3)CC2)[C@@]12CCCO2 ZINC000449237873 500954695 /nfs/dbraw/zinc/95/46/95/500954695.db2.gz PFBKUQBUSWSBMC-IITNATTFSA-N 2 0 372.553 3.398 20 0 FGADRP Cc1cccn2cc(COc3ccc(C[N@H+]4C[C@@H](C[NH3+])C[C@@H]4C)cc3)nc12 ZINC000435375410 500962075 /nfs/dbraw/zinc/96/20/75/500962075.db2.gz UXIRBTGNXWXYOW-PKOBYXMFSA-N 2 0 364.493 3.391 20 0 FGADRP COc1cc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)ccc1OCc1ccccc1 ZINC000435379200 500963440 /nfs/dbraw/zinc/96/34/40/500963440.db2.gz LNDRSDPNURCVAN-UFYCRDLUSA-N 2 0 352.478 3.443 20 0 FGADRP COc1cc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)ccc1OCc1ccncc1 ZINC000435379598 500963946 /nfs/dbraw/zinc/96/39/46/500963946.db2.gz JUNDVIRGXCUBEE-ZCNNSNEGSA-N 2 0 367.493 3.228 20 0 FGADRP COc1ccc(C[N@@H+]2CCC[C@H]([C@H](C)[NH3+])C2)cc1OCc1cccnc1 ZINC000435384220 500965359 /nfs/dbraw/zinc/96/53/59/500965359.db2.gz LNYLTJZOOHPFGV-LPHOPBHVSA-N 2 0 355.482 3.228 20 0 FGADRP C[C@@H](Cc1coc2ccccc12)[NH2+]C1C[C@H]2CC[C@@H](C1)N2CC(=O)N(C)C ZINC000449323422 500977567 /nfs/dbraw/zinc/97/75/67/500977567.db2.gz VECMOKKYHORPTN-UXDRXVOSSA-N 2 0 369.509 3.037 20 0 FGADRP CC[NH+](CC)Cc1cccc(NC(=O)[C@]2(c3ccccc3)CC[NH2+]C2)c1 ZINC000449326877 500978979 /nfs/dbraw/zinc/97/89/79/500978979.db2.gz ZYKPSQBSHSDNMB-JOCHJYFZSA-N 2 0 351.494 3.398 20 0 FGADRP C[C@@H](CCNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)[NH+](C)Cc1ccccc1 ZINC000440272020 500993367 /nfs/dbraw/zinc/99/33/67/500993367.db2.gz TVMINCPKRFQLFF-GHTZIAJQSA-N 2 0 357.542 3.420 20 0 FGADRP CN(c1ccccc1C[N@H+](C)[C@@H](CO)c1ccccc1)C1CC[NH+](C)CC1 ZINC000449456874 501007234 /nfs/dbraw/zinc/00/72/34/501007234.db2.gz TVQAGRPACRCMMT-QHCPKHFHSA-N 2 0 367.537 3.382 20 0 FGADRP C[C@H](C[S@@](C)=O)[NH2+]C[C@@]1(C(C)(C)C)CC[N@H+](Cc2ccccc2)C1 ZINC000602608066 506230079 /nfs/dbraw/zinc/23/00/79/506230079.db2.gz LSDVJTREPINVDV-VWQFJMCTSA-N 2 0 350.572 3.281 20 0 FGADRP CC(=O)Nc1ccc(CN2CCC([NH2+]C3CC[NH+](C(C)C)CC3)CC2)cc1 ZINC000449525728 501025802 /nfs/dbraw/zinc/02/58/02/501025802.db2.gz UFEIUEZUVIGTLN-UHFFFAOYSA-N 2 0 372.557 3.072 20 0 FGADRP COC(=O)CC1(C[NH+]2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)CC1 ZINC000440789211 501048570 /nfs/dbraw/zinc/04/85/70/501048570.db2.gz YNQIETFLWRTUAO-UHFFFAOYSA-N 2 0 356.510 3.318 20 0 FGADRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2cc(F)cc(Br)c2)CC1 ZINC000449744060 501072588 /nfs/dbraw/zinc/07/25/88/501072588.db2.gz DMKMBTADEMRLKT-UHFFFAOYSA-N 2 0 372.326 3.094 20 0 FGADRP CC(C)CC1(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CCCC1 ZINC000446124015 501077965 /nfs/dbraw/zinc/07/79/65/501077965.db2.gz ZMGQOEZLCPWJPJ-UHFFFAOYSA-N 2 0 372.557 3.316 20 0 FGADRP C[NH+](C)CCOc1ccc(CC[NH2+]Cc2c[nH]nc2-c2ccsc2)cc1 ZINC000436235519 501093287 /nfs/dbraw/zinc/09/32/87/501093287.db2.gz ZSCLXKXJBAYDQG-UHFFFAOYSA-N 2 0 370.522 3.411 20 0 FGADRP Fc1cccc2[nH]c(C[NH2+]CCCN3CCN(c4cc[nH+]cc4)CC3)cc21 ZINC000436273477 501099384 /nfs/dbraw/zinc/09/93/84/501099384.db2.gz JIOUPYFGWBPEOJ-UHFFFAOYSA-N 2 0 367.472 3.004 20 0 FGADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000436304169 501104873 /nfs/dbraw/zinc/10/48/73/501104873.db2.gz CZHTVIMZROYFNT-XDWAVFMPSA-N 2 0 356.510 3.218 20 0 FGADRP C[C@H]1C[C@H](NC(=O)NCC2([NH+]3CCCCC3)CCCCC2)C[N@@H+]1C1CC1 ZINC000441287927 501114399 /nfs/dbraw/zinc/11/43/99/501114399.db2.gz RYQJEZQMTFEEND-ROUUACIJSA-N 2 0 362.562 3.100 20 0 FGADRP CC[NH+](CC)CCOc1ccccc1NC(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000607721816 506237463 /nfs/dbraw/zinc/23/74/63/506237463.db2.gz VDAPBCUJGQUSAS-SJORKVTESA-N 2 0 362.518 3.011 20 0 FGADRP Cc1ccc([C@H]([NH2+]CCC[N@@H+]2CCC[C@H](C(N)=O)C2)C2CCCC2)cc1 ZINC000446818264 501168185 /nfs/dbraw/zinc/16/81/85/501168185.db2.gz MURFKZOSXBINEK-LEWJYISDSA-N 2 0 357.542 3.403 20 0 FGADRP COc1cc(C[NH2+]CC2CC[NH+](C3CC3)CC2)c(SC)cc1OC ZINC000446882649 501176885 /nfs/dbraw/zinc/17/68/85/501176885.db2.gz GKDPIMSPKQATRG-UHFFFAOYSA-N 2 0 350.528 3.390 20 0 FGADRP COc1ccc(Br)cc1C[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000446885610 501177576 /nfs/dbraw/zinc/17/75/76/501177576.db2.gz YDUYBTFJLXYYSB-UHFFFAOYSA-N 2 0 353.304 3.422 20 0 FGADRP CCc1cc(NC2CC[NH+](Cc3ccc(NC(C)=O)cc3)CC2)cc[nH+]1 ZINC000450786448 501208760 /nfs/dbraw/zinc/20/87/60/501208760.db2.gz PZNBFSBHBXDSKS-UHFFFAOYSA-N 2 0 352.482 3.101 20 0 FGADRP CC[NH+](Cc1cc(C[N@@H+](CC)[C@H]2CCOC2)ccc1F)[C@@H]1CCOC1 ZINC000451047666 501241794 /nfs/dbraw/zinc/24/17/94/501241794.db2.gz CZIXMKMQOZJZJU-RBUKOAKNSA-N 2 0 350.478 3.047 20 0 FGADRP C[NH+](Cc1cc(Cl)cc(C[N@@H+](C)CC(C)(C)CO)c1)CC(C)(C)CO ZINC000451254710 501255149 /nfs/dbraw/zinc/25/51/49/501255149.db2.gz PHLSGQUDRAWQPM-UHFFFAOYSA-N 2 0 370.965 3.241 20 0 FGADRP CCn1ccnc1[C@@H](C)[NH2+]CCCC[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000453069015 501262026 /nfs/dbraw/zinc/26/20/26/501262026.db2.gz KIOGWHQIOREFOT-HXUWFJFHSA-N 2 0 369.557 3.464 20 0 FGADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)NC(C)(C)C[NH+]1CCCC1 ZINC000457643643 501275388 /nfs/dbraw/zinc/27/53/88/501275388.db2.gz GCPIVYFBJULMHS-UHFFFAOYSA-N 2 0 360.546 3.200 20 0 FGADRP Cc1nccnc1CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000453234861 501295512 /nfs/dbraw/zinc/29/55/12/501295512.db2.gz XECXJBMXLVESJT-FCEUIQTBSA-N 2 0 350.510 3.360 20 0 FGADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+][C@H]2C[C@@H]3CCCCN3C2=O)CC1 ZINC000453428929 501330315 /nfs/dbraw/zinc/33/03/15/501330315.db2.gz IAOSQTJILXFPPW-JSRAGOMMSA-N 2 0 355.526 3.173 20 0 FGADRP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)NC(C)(C)CCC[NH+](C)C)C1 ZINC000457920879 501334869 /nfs/dbraw/zinc/33/48/69/501334869.db2.gz FJIMAUWVBGFIFA-IAGOWNOFSA-N 2 0 354.583 3.163 20 0 FGADRP C[N@H+](CCCC[NH2+]Cc1cn(-c2ccc(F)c(Cl)c2)nn1)C1CC1 ZINC000453590080 501355822 /nfs/dbraw/zinc/35/58/22/501355822.db2.gz AHJVKUJOZNKBJC-UHFFFAOYSA-N 2 0 351.857 3.024 20 0 FGADRP c1ccc(-c2noc([C@@]34CCC[C@@H]3C[N@@H+](CC3CC[NH2+]CC3)C4)n2)cc1 ZINC000455659074 501359010 /nfs/dbraw/zinc/35/90/10/501359010.db2.gz OMMVNWBZCQPWMD-WIYYLYMNSA-N 2 0 352.482 3.090 20 0 FGADRP CCN(CC(=O)NCC[C@H]1CCC[N@H+](C)C1)Cc1ccccc1Cl ZINC000458170901 501384400 /nfs/dbraw/zinc/38/44/00/501384400.db2.gz AGPYLUILWOQQPL-MRXNPFEDSA-N 2 0 351.922 3.010 20 0 FGADRP C[NH+](C)[C@@H]1CCc2cc(NC(=O)NC[C@@H]3[N@H+](C)CCCC3(C)C)ccc21 ZINC000455863799 501402332 /nfs/dbraw/zinc/40/23/32/501402332.db2.gz SIJIVVSVHNHVOQ-MOPGFXCFSA-N 2 0 358.530 3.477 20 0 FGADRP CC(C)C[NH+]1CCC(NC(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)CC1 ZINC000455892927 501409033 /nfs/dbraw/zinc/40/90/33/501409033.db2.gz CBKAFWZEWWLOBU-HXUWFJFHSA-N 2 0 358.530 3.477 20 0 FGADRP Cc1cc(F)ccc1[C@H]1CCCN1CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000451964980 501409657 /nfs/dbraw/zinc/40/96/57/501409657.db2.gz CIDWJKACMDGAIG-HXUWFJFHSA-N 2 0 361.505 3.260 20 0 FGADRP C[NH+](C)CCCC(C)(C)NC(=O)[C@@H]1C[N@@H+](C(C)(C)C)C[C@H]1C(F)(F)F ZINC000456177179 501469933 /nfs/dbraw/zinc/46/99/33/501469933.db2.gz XBQULXKFEKKRQP-ZIAGYGMSSA-N 2 0 365.484 3.132 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)NC1CC[NH+](C2CCC2)CC1)c1ccccc1 ZINC000454195302 501480219 /nfs/dbraw/zinc/48/02/19/501480219.db2.gz PWQODJWAJLXQEC-NRFANRHFSA-N 2 0 372.557 3.386 20 0 FGADRP CC(C)[N@H+](C)CC(=O)Nc1cc(Cl)ccc1OC1CC[NH+](C)CC1 ZINC000456791725 501599377 /nfs/dbraw/zinc/59/93/77/501599377.db2.gz NWRGUALCFSRZOM-UHFFFAOYSA-N 2 0 353.894 3.092 20 0 FGADRP CCC[N@H+](C)CC(=O)Nc1cc(Cl)ccc1OC1CC[NH+](C)CC1 ZINC000456795236 501600293 /nfs/dbraw/zinc/60/02/93/501600293.db2.gz SWJBCZHOJIEIPD-UHFFFAOYSA-N 2 0 353.894 3.093 20 0 FGADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000459267039 501621971 /nfs/dbraw/zinc/62/19/71/501621971.db2.gz QKPLCUPGLCYUSM-SFHVURJKSA-N 2 0 360.546 3.012 20 0 FGADRP C[N@H+](CCCCNC(=O)NC[C@@]1(C)CCC[NH+]1Cc1ccccc1)C1CC1 ZINC000454828291 501638800 /nfs/dbraw/zinc/63/88/00/501638800.db2.gz DIGBXGFNMXRVNM-JOCHJYFZSA-N 2 0 372.557 3.215 20 0 FGADRP C[C@@H]([NH2+]C1(CNC2CC[NH+](C3CC3)CC2)CCOCC1)c1ccccc1 ZINC000459445625 501654908 /nfs/dbraw/zinc/65/49/08/501654908.db2.gz NDTXTFWWEDFQJY-GOSISDBHSA-N 2 0 357.542 3.103 20 0 FGADRP C[C@H]1CN(c2ccccc2C[NH2+]Cc2ccc(C[NH+](C)C)c(F)c2)CCO1 ZINC000459455987 501657101 /nfs/dbraw/zinc/65/71/01/501657101.db2.gz DLTMOJFVCGYBGU-KRWDZBQOSA-N 2 0 371.500 3.402 20 0 FGADRP O=C(C[N@@H+]1CCCCC[C@H]1C1CC[NH+](Cc2ccccc2)CC1)N1CCC1 ZINC000459540457 501672840 /nfs/dbraw/zinc/67/28/40/501672840.db2.gz YLCRPFQYZAPABK-QFIPXVFZSA-N 2 0 369.553 3.376 20 0 FGADRP C[C@@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000459728031 501705447 /nfs/dbraw/zinc/70/54/47/501705447.db2.gz CKTZBTJRBPMTHJ-IRXDYDNUSA-N 2 0 365.949 3.399 20 0 FGADRP C[NH+](C)CCCC(C)(C)NC(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000457483648 501707801 /nfs/dbraw/zinc/70/78/01/501707801.db2.gz GCCSWTSRMPZEEE-INIZCTEOSA-N 2 0 366.575 3.305 20 0 FGADRP CC[NH+](CC)Cc1ccccc1CNC(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000457524620 501716497 /nfs/dbraw/zinc/71/64/97/501716497.db2.gz IPVQMNUGNBIWHS-GOSISDBHSA-N 2 0 360.546 3.060 20 0 FGADRP CC[NH+](CC)Cc1ccccc1CNC(=O)N(C)[C@H]1CC[N@@H+](C(C)C)C1 ZINC000457538930 501718677 /nfs/dbraw/zinc/71/86/77/501718677.db2.gz XZYUEBWGOFMXJH-FQEVSTJZSA-N 2 0 360.546 3.153 20 0 FGADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)Nc1cccc(N2CC[NH+](C(C)C)CC2)c1 ZINC000477609631 501736888 /nfs/dbraw/zinc/73/68/88/501736888.db2.gz WKAPXJWGDYQRON-KRWDZBQOSA-N 2 0 360.546 3.322 20 0 FGADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000470600720 501739807 /nfs/dbraw/zinc/73/98/07/501739807.db2.gz MXYSTELQSAKUJP-VBQJREDUSA-N 2 0 371.447 3.297 20 0 FGADRP CC1=CC[N@H+](CCNC(=O)NCC(C)(C)[NH2+][C@@H](C)c2ccccc2)CC1 ZINC000460217135 501762262 /nfs/dbraw/zinc/76/22/62/501762262.db2.gz PWLNSDPVEFHNBR-SFHVURJKSA-N 2 0 358.530 3.067 20 0 FGADRP CC(C)[NH+]1CCC(O)(C[NH2+][C@@H](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000467388578 501783813 /nfs/dbraw/zinc/78/38/13/501783813.db2.gz MDEPSXZPVZDGGA-HNNXBMFYSA-N 2 0 358.448 3.461 20 0 FGADRP CCc1cccc(Cl)c1C[NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000474358055 501803532 /nfs/dbraw/zinc/80/35/32/501803532.db2.gz ASYZAFRUIVGOCB-UHFFFAOYSA-N 2 0 358.917 3.339 20 0 FGADRP CCCC[N@H+](C)C[C@H](C)NC(=O)N[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000460481125 501835148 /nfs/dbraw/zinc/83/51/48/501835148.db2.gz RJGHQIOATYVVMK-QKNQBKEWSA-N 2 0 374.573 3.459 20 0 FGADRP C[NH+](C)Cc1c2ccccc2oc1C(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000477967085 501842629 /nfs/dbraw/zinc/84/26/29/501842629.db2.gz AEQMUMAVARXGMW-UHFFFAOYSA-N 2 0 355.482 3.100 20 0 FGADRP CC[C@@H](C)[NH2+][C@@H](CNC(=O)NC1CC[NH+](C2CCC2)CC1)c1ccco1 ZINC000458775606 501869578 /nfs/dbraw/zinc/86/95/78/501869578.db2.gz RMWCYVPLQPHQNV-QAPCUYQASA-N 2 0 362.518 3.025 20 0 FGADRP Cc1cnn(CCCCC[N@H+]2C[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC000471002841 501887511 /nfs/dbraw/zinc/88/75/11/501887511.db2.gz BADHTDCBWVKTQW-SZPZYZBQSA-N 2 0 352.526 3.426 20 0 FGADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCC(=O)Nc2ccc(OC)c(Cl)c2)[C@@H](C)C1 ZINC000485677633 501898611 /nfs/dbraw/zinc/89/86/11/501898611.db2.gz GFNBQKYECNNKIY-WMLDXEAASA-N 2 0 367.921 3.339 20 0 FGADRP CCC(CC)[C@@H](CNC(=O)N[C@@H](c1nccn1C)C1CC1)[NH+]1CCCC1 ZINC000478168540 501898932 /nfs/dbraw/zinc/89/89/32/501898932.db2.gz DBSVVQOWQSSRLH-QZTJIDSGSA-N 2 0 361.534 3.071 20 0 FGADRP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000474707714 501928439 /nfs/dbraw/zinc/92/84/39/501928439.db2.gz DJNSIDTZIJEDEF-ZQDZILKHSA-N 2 0 369.962 3.071 20 0 FGADRP CC(C)(CNC(=O)N1CCC[N@H+](Cc2ccccc2)CC1)C[NH+]1CCCC1 ZINC000478412507 501974146 /nfs/dbraw/zinc/97/41/46/501974146.db2.gz CWGFZUFEWVJJAQ-UHFFFAOYSA-N 2 0 372.557 3.026 20 0 FGADRP c1ccc(C[C@@H]([NH2+]CCCN2CCN(c3cc[nH+]cc3)CC2)C2CC2)cc1 ZINC000482107215 501977352 /nfs/dbraw/zinc/97/73/52/501977352.db2.gz DGEUYUGPNVUOAQ-HSZRJFAPSA-N 2 0 364.537 3.205 20 0 FGADRP CC(C)n1nccc1C[NH2+]CCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000474876085 501977700 /nfs/dbraw/zinc/97/77/00/501977700.db2.gz JDTDWWFMSFWUQE-UHFFFAOYSA-N 2 0 356.514 3.271 20 0 FGADRP C[C@@H]1C[N@@H+](CC2CC[NH+](CCCc3ccc4c(c3)CCO4)CC2)C[C@H](C)O1 ZINC000482169290 501996931 /nfs/dbraw/zinc/99/69/31/501996931.db2.gz ZSYZLSJMOABFKS-KDURUIRLSA-N 2 0 372.553 3.375 20 0 FGADRP CCN(C(=O)NCCC[NH+]1CCCC1)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000471372732 502002434 /nfs/dbraw/zinc/00/24/34/502002434.db2.gz HZUZPHOJQQLEFF-FPOVZHCZSA-N 2 0 372.557 3.339 20 0 FGADRP C[NH+](C)CCOc1ccc(C[NH2+]CCCc2ccc3c(c2)CCO3)cc1 ZINC000482249861 502020152 /nfs/dbraw/zinc/02/01/52/502020152.db2.gz WKSHYCUHLFHDJL-UHFFFAOYSA-N 2 0 354.494 3.284 20 0 FGADRP Cc1ccc([C@H](C)[NH2+]CCCC[NH+]2CCN(c3ncccn3)CC2)s1 ZINC000482432808 502065924 /nfs/dbraw/zinc/06/59/24/502065924.db2.gz BLTMEUHENJYXDY-KRWDZBQOSA-N 2 0 359.543 3.100 20 0 FGADRP Cc1cccc(C)c1[C@@H](C)[NH2+]CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000475126773 502069611 /nfs/dbraw/zinc/06/96/11/502069611.db2.gz GSJQOULKYJOZON-QUCCMNQESA-N 2 0 353.510 3.373 20 0 FGADRP C[C@H]([NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1)c1ccccc1Cl ZINC000482453496 502072391 /nfs/dbraw/zinc/07/23/91/502072391.db2.gz XGKLHNBKPDATKN-KRWDZBQOSA-N 2 0 373.932 3.383 20 0 FGADRP C[C@H]([NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1)c1cccc(Cl)c1 ZINC000482458604 502075235 /nfs/dbraw/zinc/07/52/35/502075235.db2.gz TZIKKNUSWXIHCV-KRWDZBQOSA-N 2 0 373.932 3.383 20 0 FGADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@H](C)c1ccc(-c2ccncc2)cc1 ZINC000471604659 502084428 /nfs/dbraw/zinc/08/44/28/502084428.db2.gz YSXJLYWUNIMJQZ-RTBURBONSA-N 2 0 352.526 3.425 20 0 FGADRP C[C@H](C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1)[NH+]1CCCCCC1 ZINC000461445749 502116959 /nfs/dbraw/zinc/11/69/59/502116959.db2.gz FQHPGMZJXSCTET-FCEUIQTBSA-N 2 0 369.553 3.231 20 0 FGADRP C[C@H](CC[NH+](C)C)NC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000482595108 502121143 /nfs/dbraw/zinc/12/11/43/502121143.db2.gz WQMGAEWIUPXZSW-HMXCVIKNSA-N 2 0 372.557 3.023 20 0 FGADRP O=C(NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1)[C@@H](C1CC1)[NH+]1CCCC1 ZINC000461467832 502125689 /nfs/dbraw/zinc/12/56/89/502125689.db2.gz VQXLFNHWTVYABB-IFMALSPDSA-N 2 0 369.553 3.279 20 0 FGADRP O=C(NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH+]1C1CC1 ZINC000461469554 502126921 /nfs/dbraw/zinc/12/69/21/502126921.db2.gz LSHQWYRJVPTSNF-CTNGQTDRSA-N 2 0 355.526 3.032 20 0 FGADRP O=C(NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1)[C@H]1CCC[NH+]1C1CC1 ZINC000461469557 502127127 /nfs/dbraw/zinc/12/71/27/502127127.db2.gz LSHQWYRJVPTSNF-TZIWHRDSSA-N 2 0 355.526 3.032 20 0 FGADRP C[C@H](CC[N@@H+]1CCN(C2CC[NH+](C)CC2)[C@H](C)C1)OCc1ccccc1 ZINC000475320523 502132913 /nfs/dbraw/zinc/13/29/13/502132913.db2.gz JXNFNIGSGXINBK-WOJBJXKFSA-N 2 0 359.558 3.082 20 0 FGADRP CC(C)[NH+]1CCC(C(=O)N2CCCC[C@H]2[C@H](C[NH3+])Cc2ccccc2)CC1 ZINC000471790017 502138231 /nfs/dbraw/zinc/13/82/31/502138231.db2.gz UETJLYHKUNRWBD-VXKWHMMOSA-N 2 0 371.569 3.306 20 0 FGADRP C[C@H](CC(=O)N1CCCC[C@@H]1[C@H](C[NH3+])Cc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC000471790054 502138242 /nfs/dbraw/zinc/13/82/42/502138242.db2.gz FZCWGEQJPLNJDL-RYFAJOAYSA-N 2 0 371.569 3.211 20 0 FGADRP C[C@H](C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)c1cn(C)c2ccccc12 ZINC000475330845 502138310 /nfs/dbraw/zinc/13/83/10/502138310.db2.gz DKEWRMPILZTKFM-SFHVURJKSA-N 2 0 372.557 3.014 20 0 FGADRP C[NH+]1CCN(c2cc(C[NH2+][C@@H]3CCc4ccc(Cl)cc43)ccn2)CC1 ZINC000479211532 502194267 /nfs/dbraw/zinc/19/42/67/502194267.db2.gz CPFQDWBMGFWUGT-LJQANCHMSA-N 2 0 356.901 3.264 20 0 FGADRP CCCC[N@H+](C)C[C@H](C)NC(=O)N(C)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000461790083 502202193 /nfs/dbraw/zinc/20/21/93/502202193.db2.gz GYVYOEMTVVTZPL-ICSRJNTNSA-N 2 0 360.546 3.023 20 0 FGADRP CN(C(=O)[C@H]1CC[NH+](C2CCCCC2)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475546693 502209691 /nfs/dbraw/zinc/20/96/91/502209691.db2.gz DXHFZBDTARLKES-UNMCSNQZSA-N 2 0 369.553 3.374 20 0 FGADRP CCN(CCC[NH+]1CCCC1)C(=O)N[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000472110105 502235442 /nfs/dbraw/zinc/23/54/42/502235442.db2.gz HMEBYFWBMLPWCT-CTNGQTDRSA-N 2 0 372.557 3.339 20 0 FGADRP O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC000482982203 502236353 /nfs/dbraw/zinc/23/63/53/502236353.db2.gz PVKQYPWKXNDLPI-WOJBJXKFSA-N 2 0 355.526 3.032 20 0 FGADRP CCc1ccc([C@H](CNC(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)[NH+](C)C)cc1 ZINC000465431615 502258997 /nfs/dbraw/zinc/25/89/97/502258997.db2.gz KKWJZMHEXUYPIZ-RTWAWAEBSA-N 2 0 374.573 3.368 20 0 FGADRP CC[NH+]1CCC([NH2+]C[C@H]2CCN(c3cccc(Br)c3)C2)CC1 ZINC000462035046 502282234 /nfs/dbraw/zinc/28/22/34/502282234.db2.gz XVGFIMMKALUOND-OAHLLOKOSA-N 2 0 366.347 3.349 20 0 FGADRP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+]2C[C@H](C)CC2(C)C)CC1 ZINC000472279930 502296984 /nfs/dbraw/zinc/29/69/84/502296984.db2.gz QUJHIUNGTSCYOX-QGZVFWFLSA-N 2 0 357.542 3.196 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C2CCN(c3cccc(C)n3)CC2)[C@@H](C)C1 ZINC000483176028 502303149 /nfs/dbraw/zinc/30/31/49/502303149.db2.gz JKXGSEYVWPLUHJ-RXVVDRJESA-N 3 0 374.573 3.085 20 0 FGADRP CC1CC[NH+](Cc2ccc(CNC(=O)N[C@@H]3CC[N@H+](C)[C@@H](C)C3)cc2)CC1 ZINC000465555468 502306932 /nfs/dbraw/zinc/30/69/32/502306932.db2.gz XKTCWXXKYBJZBL-GHTZIAJQSA-N 2 0 372.557 3.200 20 0 FGADRP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NC[C@H](CC(C)C)[NH+](CC)CC ZINC000465564655 502309827 /nfs/dbraw/zinc/30/98/27/502309827.db2.gz FVCOPFDVJLLUCE-QRVBRYPASA-N 2 0 352.567 3.011 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC000469138067 502312190 /nfs/dbraw/zinc/31/21/90/502312190.db2.gz QHTQZIPLPHBVBM-FPOVZHCZSA-N 2 0 372.557 3.159 20 0 FGADRP Fc1cccc(-c2noc([C@@H]3CCC[N@H+](CCC4CC[NH2+]CC4)C3)n2)c1 ZINC000479671768 502340042 /nfs/dbraw/zinc/34/00/42/502340042.db2.gz HQCHTGLFQRGKLP-QGZVFWFLSA-N 2 0 358.461 3.445 20 0 FGADRP CC[C@@H]1CCCC[C@@H]1NC(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@@H+]1CC ZINC000465669270 502341911 /nfs/dbraw/zinc/34/19/11/502341911.db2.gz WJUSKEUDBXWUAU-QRVBRYPASA-N 2 0 352.567 3.013 20 0 FGADRP CCN(C)c1ccc(C[N@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)cn1 ZINC000483311924 502346754 /nfs/dbraw/zinc/34/67/54/502346754.db2.gz QWBACPVRQHPDGN-UHFFFAOYSA-N 2 0 353.514 3.281 20 0 FGADRP CCCN(CC[NH+]1CCCC1)C(=O)NCCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000479702684 502349595 /nfs/dbraw/zinc/34/95/95/502349595.db2.gz FSAFVJRRJUCFMP-PMACEKPBSA-N 2 0 366.594 3.262 20 0 FGADRP Cc1ccc(C[N@@H+]2CCCN(C(=O)C[NH+]3CCC(C)=C(C)C3)CC2)cc1 ZINC000483365242 502363173 /nfs/dbraw/zinc/36/31/73/502363173.db2.gz JNLRORUQYMYKRG-UHFFFAOYSA-N 2 0 355.526 3.071 20 0 FGADRP CC(C)[NH+]1[C@@H]2CC[C@H]1CN(C(=O)N[C@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1)CC2 ZINC000465743216 502365939 /nfs/dbraw/zinc/36/59/39/502365939.db2.gz PMCYLVWTIVQEAW-IVDHNXQLSA-N 2 0 364.578 3.010 20 0 FGADRP CO[C@H](CC[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)C(F)(F)F ZINC000469321220 502374953 /nfs/dbraw/zinc/37/49/53/502374953.db2.gz HDHZWBJAEWDUNE-WNRNVDISSA-N 2 0 356.432 3.454 20 0 FGADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@H](C)CCCOc2ccccc2C(N)=O)C1 ZINC000469326867 502375859 /nfs/dbraw/zinc/37/58/59/502375859.db2.gz ZHJDCQIUYJCQJK-MSOLQXFVSA-N 2 0 361.530 3.043 20 0 FGADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@H](C)CCCOc2ccccc2C(N)=O)C1 ZINC000469326892 502376591 /nfs/dbraw/zinc/37/65/91/502376591.db2.gz ZHJDCQIUYJCQJK-QZTJIDSGSA-N 2 0 361.530 3.043 20 0 FGADRP C[C@H]1C[C@H](NC(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)CC[N@@H+]1C ZINC000465769582 502378592 /nfs/dbraw/zinc/37/85/92/502378592.db2.gz HNXCNSCAESQKIH-GHTZIAJQSA-N 2 0 372.557 3.345 20 0 FGADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000469374207 502390277 /nfs/dbraw/zinc/39/02/77/502390277.db2.gz YNZYIVQCADAHFM-HUUCEWRRSA-N 2 0 371.978 3.237 20 0 FGADRP CCO[C@@H]1C[C@H]([N@H+](C)CCCN2CC[NH+](C(C)C)CC2)C12CCCCC2 ZINC000472581820 502390856 /nfs/dbraw/zinc/39/08/56/502390856.db2.gz PYTFCCYRCAONGT-LEWJYISDSA-N 2 0 365.606 3.462 20 0 FGADRP CCC[C@@H]([NH2+]C(C)C)C(=O)N[C@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21 ZINC000479835501 502392494 /nfs/dbraw/zinc/39/24/94/502392494.db2.gz BBCXIEXMQNNEQP-MOPGFXCFSA-N 2 0 373.541 3.258 20 0 FGADRP C[C@H]1C[C@H](NC(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)CC[N@@H+]1C ZINC000465817613 502393746 /nfs/dbraw/zinc/39/37/46/502393746.db2.gz SZKRXQWEBLCJSP-GHTZIAJQSA-N 2 0 372.557 3.345 20 0 FGADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)N(C)CC[C@H]1CCCC[NH+]1C ZINC000465864218 502407449 /nfs/dbraw/zinc/40/74/49/502407449.db2.gz CMAROHBQTMJSTI-RTBURBONSA-N 2 0 352.567 3.157 20 0 FGADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)N1CC[C@H](C)[NH+](Cc2ccccc2)CC1 ZINC000465886183 502416198 /nfs/dbraw/zinc/41/61/98/502416198.db2.gz ITWONGWREMGOBD-FPOVZHCZSA-N 2 0 372.557 3.167 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCCC1 ZINC000465910795 502424546 /nfs/dbraw/zinc/42/45/46/502424546.db2.gz ONOLGRUPURGMMJ-AZUAARDMSA-N 2 0 372.557 3.434 20 0 FGADRP CC[N@H+](Cc1ccc(C(=O)N2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)cc1)C1CC1 ZINC000483546227 502427447 /nfs/dbraw/zinc/42/74/47/502427447.db2.gz CCRMSJVREGVPLY-PZJWPPBQSA-N 2 0 355.526 3.227 20 0 FGADRP COc1ccc(Cl)c(CN2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)c1 ZINC000483610623 502442220 /nfs/dbraw/zinc/44/22/20/502442220.db2.gz XBYBLSKSRAPWSD-IAGOWNOFSA-N 2 0 365.949 3.339 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@H](C)Oc2ccc(F)cc2)[C@H](C)C1 ZINC000483628927 502447368 /nfs/dbraw/zinc/44/73/68/502447368.db2.gz RYINXQQEIJFZGO-UWVAXJGDSA-N 2 0 352.494 3.320 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1scc(C)c1Cl ZINC000480029898 502451084 /nfs/dbraw/zinc/45/10/84/502451084.db2.gz GPHQVLIXAJLVKS-AWEZNQCLSA-N 2 0 357.951 3.198 20 0 FGADRP C[C@H](C[NH+]1CCCCCC1)NC(=O)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000483646085 502451768 /nfs/dbraw/zinc/45/17/68/502451768.db2.gz RYPCTYNYKJFVKG-HXUWFJFHSA-N 2 0 372.557 3.168 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](C)c1cccc(C)c1C ZINC000466019031 502455813 /nfs/dbraw/zinc/45/58/13/502455813.db2.gz GONPCYCOVHWVDU-PMACEKPBSA-N 2 0 374.573 3.422 20 0 FGADRP CC(C)[N@@H+]1CCCN(C(=O)NC[C@@H](C2CC2)[NH+](C)Cc2ccccc2)CC1 ZINC000483676509 502460146 /nfs/dbraw/zinc/46/01/46/502460146.db2.gz CNEUPWNUEFMQHR-NRFANRHFSA-N 2 0 372.557 3.023 20 0 FGADRP CC[NH+](CC)CCN(Cc1ccccc1)C(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000466033978 502461258 /nfs/dbraw/zinc/46/12/58/502461258.db2.gz DPMZHCZMIKTJNN-UYAOXDASSA-N 2 0 360.546 3.023 20 0 FGADRP C[C@H]1CCC[C@@](CNC(=O)NC2CC[NH+](C3CCCC3)CC2)([NH+](C)C)C1 ZINC000483688148 502464580 /nfs/dbraw/zinc/46/45/80/502464580.db2.gz CQBRAPLSEJWFAC-LAUBAEHRSA-N 2 0 364.578 3.203 20 0 FGADRP CN(CC[NH+]1CCCC1)C(=O)c1cccc(C[N@H+](C)Cc2ccccc2)c1 ZINC000487589650 502485906 /nfs/dbraw/zinc/48/59/06/502485906.db2.gz JLSMGTNVUMHIAX-UHFFFAOYSA-N 2 0 365.521 3.486 20 0 FGADRP CCC[N@H+](CC)CCNC(=O)N1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000473170113 502534385 /nfs/dbraw/zinc/53/43/85/502534385.db2.gz DVXNZNDXAFBLDJ-RBUKOAKNSA-N 2 0 352.567 3.014 20 0 FGADRP CC1CC[NH+](CC(=O)Nc2ccccc2N2CCC(C[NH+](C)C)CC2)CC1 ZINC000473254054 502552236 /nfs/dbraw/zinc/55/22/36/502552236.db2.gz KYUULCDGRMJDCR-UHFFFAOYSA-N 2 0 372.557 3.135 20 0 FGADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N[C@H]1[C@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000473277995 502556787 /nfs/dbraw/zinc/55/67/87/502556787.db2.gz CWGXCKUSMVCSPN-AISZHWQLSA-N 2 0 357.542 3.132 20 0 FGADRP C[NH+](C)CC1(C(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)CCCCC1 ZINC000473309711 502563709 /nfs/dbraw/zinc/56/37/09/502563709.db2.gz VAFCCDIALLFASZ-FQEVSTJZSA-N 2 0 357.542 3.137 20 0 FGADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]C[C@@](C)(Cc1ccccc1)[C@H](C)O ZINC000480454069 502573381 /nfs/dbraw/zinc/57/33/81/502573381.db2.gz MVXQVHFTLNTTBO-PGRDOPGGSA-N 2 0 364.493 3.295 20 0 FGADRP CCC[C@H](C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1)c1ccccc1 ZINC000469870497 502577013 /nfs/dbraw/zinc/57/70/13/502577013.db2.gz JJAFNXJPMMVUNV-TYPHKJRUSA-N 2 0 357.542 3.151 20 0 FGADRP CCC(C)(C)[NH2+][C@H](C)C(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000476762188 502580734 /nfs/dbraw/zinc/58/07/34/502580734.db2.gz MURFWNCJQFCKCA-INMHGKMJSA-N 2 0 351.560 3.414 20 0 FGADRP Cc1ncc(CNc2cccc(C[N@@H+]3CC[C@H](O)C3)c2)n1-c1ccccc1 ZINC000462879167 502610407 /nfs/dbraw/zinc/61/04/07/502610407.db2.gz WHYMGCBXPJCRSZ-QFIPXVFZSA-N 2 0 362.477 3.359 20 0 FGADRP C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000476885274 502612716 /nfs/dbraw/zinc/61/27/16/502612716.db2.gz VJAPMRQODQAOPF-GHTZIAJQSA-N 2 0 370.541 3.051 20 0 FGADRP Cc1nc([C@@H](C)[NH2+]CCCN2CC[N@H+](C)C[C@H]2c2ccccc2)cs1 ZINC000462885930 502614510 /nfs/dbraw/zinc/61/45/10/502614510.db2.gz WMYPLEPCJCTOLU-UZLBHIALSA-N 2 0 358.555 3.481 20 0 FGADRP O=C(Nc1ccc2c(c1)C[NH2+]CCO2)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000462888607 502615276 /nfs/dbraw/zinc/61/52/76/502615276.db2.gz OVPIMXYMVLMAGD-SFHVURJKSA-N 2 0 365.477 3.019 20 0 FGADRP CC[NH+](CC)Cc1ccc(CNC(=O)N2CC[C@H]([NH+]3CCCC3)[C@@H]2C)cc1 ZINC000476925410 502623230 /nfs/dbraw/zinc/62/32/30/502623230.db2.gz HPCFCISKPSUURC-RXVVDRJESA-N 2 0 372.557 3.297 20 0 FGADRP CC[NH+](CC)C[C@H](C)NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000476928188 502624093 /nfs/dbraw/zinc/62/40/93/502624093.db2.gz GIQMEAUAIUBBGE-XSLAUPDRSA-N 2 0 372.557 3.212 20 0 FGADRP C[C@@H](NC(=O)NC1CC[NH+](C(C)(C)C)CC1)[C@H](c1ccccc1)[NH+](C)C ZINC000484345882 502629957 /nfs/dbraw/zinc/62/99/57/502629957.db2.gz WWHSUDCWHBARFR-VQIMIIECSA-N 2 0 360.546 3.240 20 0 FGADRP CC[NH+]1CCN(c2ccc(C[NH2+][C@H](C)c3sc(C)nc3C)cn2)CC1 ZINC000480714933 502651971 /nfs/dbraw/zinc/65/19/71/502651971.db2.gz RIMLQADYDICKJX-CQSZACIVSA-N 2 0 359.543 3.148 20 0 FGADRP CC[NH+]1CCN(c2ccc(C[NH2+][C@H](C)c3ccc4c(c3)COC4)cn2)CC1 ZINC000480722176 502653365 /nfs/dbraw/zinc/65/33/65/502653365.db2.gz BADNDWYKNPBTFN-QGZVFWFLSA-N 2 0 366.509 3.105 20 0 FGADRP Cc1ccc([C@H](CNC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)[NH+](C)C)cc1 ZINC000480725583 502653971 /nfs/dbraw/zinc/65/39/71/502653971.db2.gz YPNZTPULAKUQPO-FPOVZHCZSA-N 2 0 357.542 3.369 20 0 FGADRP C[C@@H]1CC[N@H+](CCOc2ccc(NC(=O)C[NH+]3[C@H](C)CC[C@H]3C)cc2)C1 ZINC000470117912 502666220 /nfs/dbraw/zinc/66/62/20/502666220.db2.gz RBVMGDMJNOWRQZ-KZNAEPCWSA-N 2 0 359.514 3.219 20 0 FGADRP CCC[N@H+](CC)C[C@H](C)NC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000463063984 502681314 /nfs/dbraw/zinc/68/13/14/502681314.db2.gz XFGJCSFINFRHCK-PMACEKPBSA-N 2 0 366.594 3.404 20 0 FGADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC000484639087 502691626 /nfs/dbraw/zinc/69/16/26/502691626.db2.gz CPPHQOULIRDXIS-CTLHLVSWSA-N 2 0 370.541 3.089 20 0 FGADRP Cc1ccc2nc(CSCC(=O)NC[C@@H]3CCCC[N@@H+]3C3CC3)cn2c1 ZINC000470173498 502693565 /nfs/dbraw/zinc/69/35/65/502693565.db2.gz LQSLHVKOPCQVFU-SFHVURJKSA-N 2 0 372.538 3.009 20 0 FGADRP CC[NH+](CC)CC1CC[NH+]([C@H](C)C(=O)NCc2ccccc2Cl)CC1 ZINC000488392761 502702764 /nfs/dbraw/zinc/70/27/64/502702764.db2.gz RJPFFQPVFKLFHW-MRXNPFEDSA-N 2 0 365.949 3.399 20 0 FGADRP C[C@H](c1cc2ccccc2o1)N(C)C(=O)C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000480934844 502708754 /nfs/dbraw/zinc/70/87/54/502708754.db2.gz BZQRYKPHBZDBPQ-MRXNPFEDSA-N 2 0 357.498 3.226 20 0 FGADRP CC[NH+]1CCN(Cc2ccccc2C[NH2+][C@@H]2CS[C@H](C(C)C)C2)CC1 ZINC000488416307 502709132 /nfs/dbraw/zinc/70/91/32/502709132.db2.gz QKOYXIYKLNJIOH-SFTDATJTSA-N 2 0 361.599 3.444 20 0 FGADRP C[C@H](NC(=O)[C@H](C)[NH+]1CCC(C[NH+](C)C)CC1)c1ccc(Cl)cc1 ZINC000480969263 502716061 /nfs/dbraw/zinc/71/60/61/502716061.db2.gz VPGXANLOCLTBIB-GJZGRUSLSA-N 2 0 351.922 3.179 20 0 FGADRP CCCN(CC[NH+]1CCCC1)C(=O)NC[C@H](c1ccc(C)cc1)[NH+](C)C ZINC000488471224 502724246 /nfs/dbraw/zinc/72/42/46/502724246.db2.gz SRWJMIVCSOZEFM-HXUWFJFHSA-N 2 0 360.546 3.115 20 0 FGADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1cccc(C[NH+](C)C)c1 ZINC000488499215 502733064 /nfs/dbraw/zinc/73/30/64/502733064.db2.gz NQPBZSHQGDKOOS-PGRDOPGGSA-N 2 0 365.521 3.389 20 0 FGADRP CC(C)[NH+]1CCC(O)(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC000463240244 502733063 /nfs/dbraw/zinc/73/30/63/502733063.db2.gz MDTUCMDSPBLQCX-FRIKZZABSA-N 3 0 371.569 3.007 20 0 FGADRP C[NH+](C)CCc1ccc(CNC(=O)NCCC[N@H+](C)C2CCCCC2)cc1 ZINC000466975892 502743771 /nfs/dbraw/zinc/74/37/71/502743771.db2.gz GAWHFUGJVDZXEV-UHFFFAOYSA-N 2 0 374.573 3.245 20 0 FGADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)CN(C)Cc1ccccc1 ZINC000488536959 502744541 /nfs/dbraw/zinc/74/45/41/502744541.db2.gz XRWLMGDQLQMSBD-SIKLNZKXSA-N 2 0 365.521 3.145 20 0 FGADRP C[C@@H](CNC(=O)NCCC[NH2+]C1CCCCC1)[N@H+](C)Cc1ccccc1 ZINC000477396943 502763680 /nfs/dbraw/zinc/76/36/80/502763680.db2.gz WBMAOINNWDVLAA-SFHVURJKSA-N 2 0 360.546 3.119 20 0 FGADRP CC(C)C[C@H](C)N(C)C(=O)CN[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000481194361 502779666 /nfs/dbraw/zinc/77/96/66/502779666.db2.gz WFNJMXNSJRTBCD-IRFCIJBXSA-N 2 0 359.558 3.380 20 0 FGADRP CC(C)C[C@H](C)N(C)C(=O)CN[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000481194362 502779684 /nfs/dbraw/zinc/77/96/84/502779684.db2.gz WFNJMXNSJRTBCD-SVFBPWRDSA-N 2 0 359.558 3.380 20 0 FGADRP C[C@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)C1CCC(F)(F)CC1 ZINC000474055511 502791949 /nfs/dbraw/zinc/79/19/49/502791949.db2.gz KAIPOMQWVPSRBG-HNNXBMFYSA-N 2 0 352.473 3.137 20 0 FGADRP C[NH+](C)Cc1ccc(C(=O)N(CC[NH+]2CCCCCC2)C2CCC2)cn1 ZINC000488874329 502829972 /nfs/dbraw/zinc/82/99/72/502829972.db2.gz DQRXJLGZQJMPQM-UHFFFAOYSA-N 2 0 358.530 3.014 20 0 FGADRP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]C1CCN(C(=O)c2ccoc2)CC1 ZINC000513331711 502906603 /nfs/dbraw/zinc/90/66/03/502906603.db2.gz VEGGHOXNVQLKGA-FXAWDEMLSA-N 2 0 361.530 3.374 20 0 FGADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)N1CCC[NH+](Cc2ccccc2)CC1 ZINC000501024920 502914849 /nfs/dbraw/zinc/91/48/49/502914849.db2.gz OVKGEXGBJIRAIT-NRFANRHFSA-N 2 0 372.557 3.168 20 0 FGADRP CC[C@@H]1CCCCN1C(=O)[C@@H](C)[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501066129 502926504 /nfs/dbraw/zinc/92/65/04/502926504.db2.gz CTPIUSXMLAMSBN-UYAOXDASSA-N 2 0 372.557 3.409 20 0 FGADRP CC[C@H](C)[NH2+][C@H](CNC(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C)c1ccco1 ZINC000509568550 502936783 /nfs/dbraw/zinc/93/67/83/502936783.db2.gz MBHYJCNFFOQUQN-OKZBNKHCSA-N 2 0 364.534 3.225 20 0 FGADRP CCC[NH+]1CCC(N(C)C(=O)NC[C@@H]([NH2+][C@H](C)CC)c2ccco2)CC1 ZINC000509583403 502941228 /nfs/dbraw/zinc/94/12/28/502941228.db2.gz JXJJPLSSYNILBQ-SJLPKXTDSA-N 2 0 364.534 3.225 20 0 FGADRP CC[N@H+](Cc1ccc(C(=O)N2CC[C@]3(C2)CCC[NH+](C)C3)cc1)C1CC1 ZINC000505607840 502948838 /nfs/dbraw/zinc/94/88/38/502948838.db2.gz MVCNDOUONOSYDF-JOCHJYFZSA-N 2 0 355.526 3.229 20 0 FGADRP CC(C)[C@H](CNC(=O)NCc1ccc(C[NH+](C)C)cc1)[NH+]1CCC(C)CC1 ZINC000501161558 502951936 /nfs/dbraw/zinc/95/19/36/502951936.db2.gz DUUKRPZMQBVXDI-NRFANRHFSA-N 2 0 374.573 3.304 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12)c1ccsc1 ZINC000501178284 502953707 /nfs/dbraw/zinc/95/37/07/502953707.db2.gz YGQPJXCQRUFMMD-KZNAEPCWSA-N 2 0 364.559 3.057 20 0 FGADRP C[C@H]1C[C@H](CC[NH2+]Cc2ccc3c(c2)nnn3C)C[N@@H+]1Cc1ccccc1 ZINC000513504708 502954322 /nfs/dbraw/zinc/95/43/22/502954322.db2.gz FACIIPMIVNGSSY-PXNSSMCTSA-N 2 0 363.509 3.359 20 0 FGADRP FC1(F)Oc2ccc(C[NH+]3CCC(OCC[NH+]4CCCC4)CC3)cc2O1 ZINC000509645601 502956486 /nfs/dbraw/zinc/95/64/86/502956486.db2.gz ZWCHSOWNFAIGHP-UHFFFAOYSA-N 2 0 368.424 3.085 20 0 FGADRP CC[NH+]1CCN(c2ccccc2C[N@H+](C)Cc2ccccc2OC)CC1 ZINC000505636894 502956485 /nfs/dbraw/zinc/95/64/85/502956485.db2.gz MRIHZBUYGCHURI-UHFFFAOYSA-N 2 0 353.510 3.469 20 0 FGADRP Cn1c2ccc(C[NH2+]Cc3ccc(C[NH+]4CCCC4)cc3)cc2oc1=O ZINC000509684753 502967461 /nfs/dbraw/zinc/96/74/61/502967461.db2.gz ADJHRDSNQFARES-UHFFFAOYSA-N 2 0 351.450 3.017 20 0 FGADRP CCCN(CC[NH+]1CCCCC1)C(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000505706000 502970491 /nfs/dbraw/zinc/97/04/91/502970491.db2.gz LUBUMLDMSBVZFE-KRWDZBQOSA-N 2 0 366.575 3.258 20 0 FGADRP C[C@H]([NH2+]C(C)(C)CNC(=O)NCC[N@@H+]1CCCC[C@H]1C)c1ccccc1 ZINC000489535967 502980852 /nfs/dbraw/zinc/98/08/52/502980852.db2.gz IHUJCSAPCDCFLV-MSOLQXFVSA-N 2 0 360.546 3.289 20 0 FGADRP C[NH+](C)[C@@H](CNC(=O)NCC1([NH+](C)C)CCCCC1)C1CCCCC1 ZINC000501330557 502985625 /nfs/dbraw/zinc/98/56/25/502985625.db2.gz TXLVEGJHXFQFGH-SFHVURJKSA-N 2 0 352.567 3.061 20 0 FGADRP C[C@H](Cc1ccc(O)cc1)[NH2+]CCCN1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000509846612 502997724 /nfs/dbraw/zinc/99/77/24/502997724.db2.gz BOEXOQJKBABNGW-XXBNENTESA-N 2 0 367.537 3.292 20 0 FGADRP CCC[NH+]1CCC(NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000489613825 502998910 /nfs/dbraw/zinc/99/89/10/502998910.db2.gz TVZKXLMJAALQSQ-RXVVDRJESA-N 2 0 372.557 3.071 20 0 FGADRP C[C@H]1CCC[N@H+](CCCCNC(=O)NC[C@@H](C2CCCCC2)[NH+](C)C)C1 ZINC000501402457 503002339 /nfs/dbraw/zinc/00/23/39/503002339.db2.gz ZJQVFPORTKCJKT-ICSRJNTNSA-N 2 0 366.594 3.308 20 0 FGADRP OCC[NH+]1CCC(C[NH2+]CC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000501419974 503006317 /nfs/dbraw/zinc/00/63/17/503006317.db2.gz IAZDKNPZJKZVBW-UHFFFAOYSA-N 2 0 374.475 3.391 20 0 FGADRP C[C@@H](CNC(=O)NCCCC[NH+]1CCC(C)CC1)[N@@H+]1CCCC[C@@H]1C ZINC000501490214 503019636 /nfs/dbraw/zinc/01/96/36/503019636.db2.gz JOAYXPKQEQRDAH-OALUTQOASA-N 2 0 352.567 3.061 20 0 FGADRP Cc1cccc(NC(=O)[C@@H](C)[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)c1 ZINC000506012892 503028986 /nfs/dbraw/zinc/02/89/86/503028986.db2.gz OMUYZZQZIJVKAQ-LJQANCHMSA-N 2 0 373.541 3.146 20 0 FGADRP C[N@@H+]1CCCC[C@H]1CCC(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000497745109 503030268 /nfs/dbraw/zinc/03/02/68/503030268.db2.gz IDCCMZLTTXZVKN-SFHVURJKSA-N 2 0 367.603 3.119 20 0 FGADRP CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)c1sccc1C[NH+](C)C ZINC000501602800 503048300 /nfs/dbraw/zinc/04/83/00/503048300.db2.gz FCXGXNMRCVZFHP-UHFFFAOYSA-N 2 0 372.538 3.193 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)NCCC[NH+]1CCCCC1 ZINC000489861513 503051036 /nfs/dbraw/zinc/05/10/36/503051036.db2.gz OJZZYGKEWVDAKL-TZIWHRDSSA-N 2 0 372.557 3.072 20 0 FGADRP C[C@H](NC(=O)CN1CCCC[C@@H]1CC[NH3+])c1ccc(Cl)cc1Cl ZINC000489904824 503061107 /nfs/dbraw/zinc/06/11/07/503061107.db2.gz CTVMWKZLMYCYOB-GXTWGEPZSA-N 2 0 358.313 3.374 20 0 FGADRP CC[NH+](CC)Cc1ccccc1CNC(=O)N[C@@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000514023286 503070341 /nfs/dbraw/zinc/07/03/41/503070341.db2.gz VZGWIOXEYAVFQJ-OALUTQOASA-N 2 0 374.573 3.448 20 0 FGADRP CCC1(CNC(=O)[C@@H](C(C)C)[NH+](C)C)CC[NH+](Cc2ccccc2)CC1 ZINC000514054031 503075865 /nfs/dbraw/zinc/07/58/65/503075865.db2.gz GLVHFXRTLKMGSS-HXUWFJFHSA-N 2 0 359.558 3.381 20 0 FGADRP C[C@@H]1CCC[NH+](C(C)(C)CNC(=O)NCCCC[N@H+]2CCC[C@H](C)C2)C1 ZINC000514122700 503093522 /nfs/dbraw/zinc/09/35/22/503093522.db2.gz NANVGXGAGAEWGS-RBUKOAKNSA-N 2 0 366.594 3.308 20 0 FGADRP CCCN(CC[NH+]1CCCC1)C(=O)N[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000501856511 503094849 /nfs/dbraw/zinc/09/48/49/503094849.db2.gz JPLVJOWZOGFTQB-MOPGFXCFSA-N 2 0 364.578 3.157 20 0 FGADRP C[C@H](C(=O)N(C)CC1CCN(c2cc[nH+]cc2)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000501863441 503096330 /nfs/dbraw/zinc/09/63/30/503096330.db2.gz PPGSNPWODNXXJJ-FGTMMUONSA-N 2 0 358.530 3.018 20 0 FGADRP CCN(CC[NH+]1CCCCCC1)C(=O)NCC[C@@H](C)[NH+]1CCCCC1 ZINC000501952363 503115395 /nfs/dbraw/zinc/11/53/95/503115395.db2.gz XACLBJSMQMOOCH-LJQANCHMSA-N 2 0 352.567 3.158 20 0 FGADRP Cc1ccc([C@H](CNC(=O)NCC[NH+]2CCC(C)CC2)[NH+]2CCCC2)cc1 ZINC000514238179 503122049 /nfs/dbraw/zinc/12/20/49/503122049.db2.gz CFSYZDWNPLLDFB-NRFANRHFSA-N 2 0 372.557 3.163 20 0 FGADRP CCCC[NH+]1CCC(NC(=O)N(CCC)CC[NH+]2CCCCC2)CC1 ZINC000490172068 503122257 /nfs/dbraw/zinc/12/22/57/503122257.db2.gz KAXNWQONROINLR-UHFFFAOYSA-N 2 0 352.567 3.158 20 0 FGADRP CC[N@@H+]1C[C@H](C)N(C(=O)NCC2CC[NH+](Cc3ccccc3)CC2)C[C@@H]1C ZINC000498220601 503134055 /nfs/dbraw/zinc/13/40/55/503134055.db2.gz BCDHYHIDIHLTKT-OALUTQOASA-N 2 0 372.557 3.023 20 0 FGADRP CC(C)[C@H]1CCC[C@H](NC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)C1 ZINC000510580100 503148519 /nfs/dbraw/zinc/14/85/19/503148519.db2.gz QVCVVUWBUYSWAN-OALUTQOASA-N 2 0 354.583 3.116 20 0 FGADRP CCC[N@H+](CC)C[C@H](C)NC(=O)N[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000514640597 503155365 /nfs/dbraw/zinc/15/53/65/503155365.db2.gz VXRGKNXVPSUQJA-ZVDOUQERSA-N 2 0 374.573 3.459 20 0 FGADRP CCC[N@H+](CC)C[C@H](C)NC(=O)N[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000514640596 503155859 /nfs/dbraw/zinc/15/58/59/503155859.db2.gz VXRGKNXVPSUQJA-ZJOUEHCJSA-N 2 0 374.573 3.459 20 0 FGADRP C[C@H](CCc1c(F)cccc1F)[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000510716884 503177841 /nfs/dbraw/zinc/17/78/41/503177841.db2.gz GBVXFTJTIGXONS-HZPDHXFCSA-N 2 0 352.469 3.376 20 0 FGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H](C)CCc2c(F)cccc2F)CC1 ZINC000510721879 503178888 /nfs/dbraw/zinc/17/88/88/503178888.db2.gz OHPOMPJJJFJEDL-SJORKVTESA-N 2 0 353.501 3.149 20 0 FGADRP CC(C)[N@H+](C)Cc1ccccc1C[NH2+]Cc1cnnn1Cc1ccccc1 ZINC000490577391 503198617 /nfs/dbraw/zinc/19/86/17/503198617.db2.gz GEWDABHZXHKSGB-UHFFFAOYSA-N 2 0 363.509 3.456 20 0 FGADRP COCc1ccccc1/C=C(/C)C[NH2+]CC1CC[NH+](CCN(C)C)CC1 ZINC000510872218 503207820 /nfs/dbraw/zinc/20/78/20/503207820.db2.gz LJSOVUQNUBKKLQ-CYVLTUHYSA-N 2 0 359.558 3.100 20 0 FGADRP COc1cc(C[NH2+]CC(C)(C)N2CCc3ccccc3C2)cc(OC)c1O ZINC000502500631 503211176 /nfs/dbraw/zinc/21/11/76/503211176.db2.gz XAMHAZCWHWMMFF-UHFFFAOYSA-N 2 0 370.493 3.336 20 0 FGADRP C[N@@H+]1CCN(CC[NH2+][C@@H]2CCc3ccc(Br)cc32)CC1(C)C ZINC000510946054 503223003 /nfs/dbraw/zinc/22/30/03/503223003.db2.gz DWRZMHZORDALMY-QGZVFWFLSA-N 2 0 366.347 3.052 20 0 FGADRP CC(C)[NH+]1CCC(C(=O)N[C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000490762095 503224079 /nfs/dbraw/zinc/22/40/79/503224079.db2.gz WWVPNSUGECKGTC-NQIIRXRSSA-N 2 0 357.542 3.134 20 0 FGADRP C[NH+](C)CCC1CC[NH+](CC(=O)N2CCC(Cc3ccccc3)CC2)CC1 ZINC000510986061 503230555 /nfs/dbraw/zinc/23/05/55/503230555.db2.gz MIQVHIMUNDESKS-UHFFFAOYSA-N 2 0 371.569 3.131 20 0 FGADRP Cc1nn(-c2ccc(Br)cc2)c(C)c1C[NH2+][C@@H](C)C[C@H](C)[NH3+] ZINC000514937945 503231989 /nfs/dbraw/zinc/23/19/89/503231989.db2.gz JFSRBBDBBCEYIR-RYUDHWBXSA-N 2 0 365.319 3.467 20 0 FGADRP CCC[NH+]1CCC(C[NH2+]Cc2cnc(-c3ccccc3OC)nc2)CC1 ZINC000490865895 503238722 /nfs/dbraw/zinc/23/87/22/503238722.db2.gz XFCRYNNVGLPCLB-UHFFFAOYSA-N 2 0 354.498 3.364 20 0 FGADRP CC1CC[NH+](C2CCC(NC(=O)NCC[N@@H+]3CCCC[C@@H]3C)CC2)CC1 ZINC000502628024 503241520 /nfs/dbraw/zinc/24/15/20/503241520.db2.gz ODYVYTUBHBXXOU-HDYDNRTBSA-N 2 0 364.578 3.203 20 0 FGADRP [NH3+][C@@H]1CCCC[C@H]1CC(=O)N(Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000515004562 503248318 /nfs/dbraw/zinc/24/83/18/503248318.db2.gz WVSITUVBAGKVSY-RCCFBDPRSA-N 2 0 361.555 3.126 20 0 FGADRP Cc1ccc(C)c(OCCC[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)c1 ZINC000491021619 503261622 /nfs/dbraw/zinc/26/16/22/503261622.db2.gz QHSNKGZXJKKFHN-LEWJYISDSA-N 2 0 359.558 3.030 20 0 FGADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)NC[C@@H](c1ccco1)[NH+](CC)CC ZINC000502824592 503281557 /nfs/dbraw/zinc/28/15/57/503281557.db2.gz JGMRZXLJEOJDDO-MSOLQXFVSA-N 2 0 364.534 3.226 20 0 FGADRP Cc1ccc([C@@H](CNC(=O)N[C@H](C)C2=CC[N@H+](C)CC2)[NH+]2CCCC2)cc1 ZINC000511215062 503281594 /nfs/dbraw/zinc/28/15/94/503281594.db2.gz GUKHUQATFNSFLZ-WIYYLYMNSA-N 2 0 370.541 3.082 20 0 FGADRP CC(C)CC[NH+]1CCC(CNC(=O)N2C[C@H]([NH+]3CCCC3)C[C@H]2C)CC1 ZINC000498895145 503285108 /nfs/dbraw/zinc/28/51/08/503285108.db2.gz VXIBZEOUZXGOST-UYAOXDASSA-N 2 0 364.578 3.013 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000502841592 503286304 /nfs/dbraw/zinc/28/63/04/503286304.db2.gz IJYHRNBGWZSYLH-CTNGQTDRSA-N 2 0 372.557 3.215 20 0 FGADRP c1cnn(Cc2ccccc2C[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000515232749 503298485 /nfs/dbraw/zinc/29/84/85/503298485.db2.gz NJNCWRJQJCXYEE-GGAORHGYSA-N 2 0 374.488 3.277 20 0 FGADRP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)NCCC[NH2+]C2CCCCC2)C1 ZINC000502891030 503300493 /nfs/dbraw/zinc/30/04/93/503300493.db2.gz DJHFIYOWDSUXIE-RTBURBONSA-N 2 0 366.594 3.356 20 0 FGADRP COCCC[C@@H](C)[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000515353073 503322493 /nfs/dbraw/zinc/32/24/93/503322493.db2.gz ACWAOZIYSWXJPY-TZIWHRDSSA-N 2 0 360.542 3.320 20 0 FGADRP C[C@H]1C[C@@H](CCNC(=O)NCC[NH+]2CCCCC2)C[N@@H+]1Cc1ccccc1 ZINC000511441901 503323267 /nfs/dbraw/zinc/32/32/67/503323267.db2.gz VMAJHGOKSKTSDQ-PZJWPPBQSA-N 2 0 372.557 3.072 20 0 FGADRP C[C@H]([NH2+]C1(CNC(=O)NCC[N@H+](C)C2CC2)CCCC1)c1ccccc1 ZINC000503021997 503327847 /nfs/dbraw/zinc/32/78/47/503327847.db2.gz DJBSRHCANFJXKL-KRWDZBQOSA-N 2 0 358.530 3.043 20 0 FGADRP CC[N@H+](C)Cc1cccc(CNC(=O)c2ccc(CC[NH+](C)C)cc2)c1 ZINC000515388127 503328646 /nfs/dbraw/zinc/32/86/46/503328646.db2.gz RDYLVYADFOMWNM-UHFFFAOYSA-N 2 0 353.510 3.172 20 0 FGADRP Cc1ccc(F)c(N2CCC[C@H]([N@@H+]3CC[C@H](C)[C@@H](n4ccnc4)C3)C2=O)c1 ZINC000503071700 503341315 /nfs/dbraw/zinc/34/13/15/503341315.db2.gz AWOALUZORBDFNC-QRFRQXIXSA-N 2 0 370.472 3.409 20 0 FGADRP O=C1CCCCN1CCC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000499156386 503345802 /nfs/dbraw/zinc/34/58/02/503345802.db2.gz LFMUPMUGBYFKFV-WKCHPHFGSA-N 2 0 355.526 3.174 20 0 FGADRP Fc1cccnc1OCC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000499187136 503351944 /nfs/dbraw/zinc/35/19/44/503351944.db2.gz IEPZTKSEJPEHDU-REPLKXPHSA-N 2 0 355.457 3.385 20 0 FGADRP Cc1ccccc1[C@H]([C@@H](C)NC(=O)NC[C@H]1CC[N@@H+](CC(C)C)C1)[NH+](C)C ZINC000499200487 503353700 /nfs/dbraw/zinc/35/37/00/503353700.db2.gz BZGIWVHVSMOXHS-SBHAEUEKSA-N 2 0 374.573 3.263 20 0 FGADRP CC[NH+](CC)Cc1ccc(NC(=O)[C@H]2COCCN2C2CCCC2)cc1 ZINC000507840673 503378552 /nfs/dbraw/zinc/37/85/52/503378552.db2.gz JXSDTDMIYGWOQB-HXUWFJFHSA-N 2 0 359.514 3.110 20 0 FGADRP C[NH+](C)[C@@H]1CCc2cc(NC(=O)C3CC[NH+]([C@H]4CCSC4)CC3)ccc21 ZINC000515798289 503404050 /nfs/dbraw/zinc/40/40/50/503404050.db2.gz NCJFRDRLJYEUOZ-AZUAARDMSA-N 2 0 373.566 3.392 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccc(Cl)cc1Cl ZINC000499505804 503421009 /nfs/dbraw/zinc/42/10/09/503421009.db2.gz CZPAWGQZMMVUCR-OAHLLOKOSA-N 2 0 372.340 3.482 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Cc1cccc2ccccc21 ZINC000499520794 503424182 /nfs/dbraw/zinc/42/41/82/503424182.db2.gz MORFRHWDJDXOGR-OAQYLSRUSA-N 2 0 367.537 3.257 20 0 FGADRP CC(C)[NH+](CCN(C)C(=O)c1ccc(Nc2cc[nH+]cc2)cc1)C(C)C ZINC000508099306 503431163 /nfs/dbraw/zinc/43/11/63/503431163.db2.gz LMGWNBLHYSINSE-UHFFFAOYSA-N 2 0 354.498 3.438 20 0 FGADRP C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+]Cc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000493668197 503438196 /nfs/dbraw/zinc/43/81/96/503438196.db2.gz CDSMFNPVDDDJQV-VGSWGCGISA-N 2 0 353.510 3.484 20 0 FGADRP CCC[N@@H+]1CC[C@H](CNC(=O)N2C[C@@H](C)[NH+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000499612174 503442685 /nfs/dbraw/zinc/44/26/85/503442685.db2.gz ZDPTVEJNGNIKKL-SVFBPWRDSA-N 2 0 372.557 3.023 20 0 FGADRP CCN(CC[NH+]1CCCCCC1)C(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000493835820 503449223 /nfs/dbraw/zinc/44/92/23/503449223.db2.gz NSVPOYUYFZWFRS-IBGZPJMESA-N 2 0 352.567 3.014 20 0 FGADRP O=C(NCCCCC[NH+]1CCCC1)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000508217319 503456070 /nfs/dbraw/zinc/45/60/70/503456070.db2.gz STODEPPKEDOSOS-UHFFFAOYSA-N 2 0 352.482 3.243 20 0 FGADRP C[C@H]1CCC[C@@](CNC(=O)NCc2cccc(C[NH+](C)C)c2)([NH+](C)C)C1 ZINC000516155374 503457146 /nfs/dbraw/zinc/45/71/46/503457146.db2.gz VTXIFMKZCYBJCA-LAUBAEHRSA-N 2 0 360.546 3.058 20 0 FGADRP C[C@@H]1CCC[C@](CNC(=O)NCc2cccc(C[NH+](C)C)c2)([NH+](C)C)C1 ZINC000516155375 503457163 /nfs/dbraw/zinc/45/71/63/503457163.db2.gz VTXIFMKZCYBJCA-UTKZUKDTSA-N 2 0 360.546 3.058 20 0 FGADRP CCCC[N@H+](C)CC1CCN(C(=O)NCC[NH+](C)Cc2ccccc2)CC1 ZINC000516183726 503465550 /nfs/dbraw/zinc/46/55/50/503465550.db2.gz TWRYZPKDBOPIHM-UHFFFAOYSA-N 2 0 374.573 3.272 20 0 FGADRP C[C@H]([NH2+]C(C)(C)CNC(=O)N1CC[C@@H]([NH+]2CCCCC2)C1)c1ccccc1 ZINC000503734187 503465851 /nfs/dbraw/zinc/46/58/51/503465851.db2.gz XHKMZDGWAZGXES-AZUAARDMSA-N 2 0 372.557 3.386 20 0 FGADRP CC(C)[C@@H]1CCCC[C@@H]1NC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000503745700 503468055 /nfs/dbraw/zinc/46/80/55/503468055.db2.gz HNOQVGWGCOAXEJ-OALUTQOASA-N 2 0 354.583 3.116 20 0 FGADRP C[C@H]1[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)CC[N@@H+]1Cc1ccccc1 ZINC000494000584 503472826 /nfs/dbraw/zinc/47/28/26/503472826.db2.gz SLVDMWWCAAFOOY-UWJYYQICSA-N 2 0 351.494 3.141 20 0 FGADRP C[NH2+]C[C@](C)(O)CN(C)Cc1cn(-c2ccccc2)nc1-c1cccs1 ZINC000516300598 503490532 /nfs/dbraw/zinc/49/05/32/503490532.db2.gz DTDPJVZAZJXXDR-FQEVSTJZSA-N 2 0 370.522 3.003 20 0 FGADRP C[NH+]1CCC(C)(C[NH2+]Cc2csc(-c3ccc4c(c3)OCO4)n2)CC1 ZINC000503928487 503491441 /nfs/dbraw/zinc/49/14/41/503491441.db2.gz KQJOSVXKOIVRNX-UHFFFAOYSA-N 2 0 359.495 3.360 20 0 FGADRP CC(C)[NH+](CCN(C)C(=O)NCCC[N@@H+]1CCc2ccccc2C1)C(C)C ZINC000503964203 503500295 /nfs/dbraw/zinc/50/02/95/503500295.db2.gz UHSIZFWUMXQZPK-UHFFFAOYSA-N 2 0 374.573 3.195 20 0 FGADRP C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)[C@H]2CCC[NH+]2C2CC2)C1 ZINC000494248352 503512370 /nfs/dbraw/zinc/51/23/70/503512370.db2.gz QXZCYDYCCWUGFY-LAUBAEHRSA-N 2 0 355.526 3.162 20 0 FGADRP Cc1ccc(-c2noc(CCC[N@@H+]3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)n2)cc1F ZINC000516570878 503539656 /nfs/dbraw/zinc/53/96/56/503539656.db2.gz ISCZWVHADFVSCG-MSOLQXFVSA-N 2 0 372.488 3.438 20 0 FGADRP COc1ccc2c(c1)OC[C@H]([NH2+][C@H](C)[C@@H]1CC[N@H+](Cc3ccccc3)C1)C2 ZINC000508718613 503550371 /nfs/dbraw/zinc/55/03/71/503550371.db2.gz OAYQZDJIDHIINS-DUXKGJEZSA-N 2 0 366.505 3.499 20 0 FGADRP CC1(C)Cc2cccc(C[NH+]3CCC(CC[NH+]4CCOCC4)CC3)c2O1 ZINC000512449061 503555880 /nfs/dbraw/zinc/55/58/80/503555880.db2.gz BEHLDMWHRSMJEH-UHFFFAOYSA-N 2 0 358.526 3.334 20 0 FGADRP O[C@H](C[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1)Cc1cccc(Cl)c1 ZINC000516645594 503559023 /nfs/dbraw/zinc/55/90/23/503559023.db2.gz IIVMHFFSKRQYAM-CTNGQTDRSA-N 2 0 358.913 3.355 20 0 FGADRP CC[N@@H+]1CCC[C@H](CNC(=O)N[C@@H](C)[C@H](c2ccccc2C)[NH+](C)C)C1 ZINC000494604672 503572937 /nfs/dbraw/zinc/57/29/37/503572937.db2.gz YPUWKAVCJAKJLF-NLWGTHIKSA-N 2 0 360.546 3.017 20 0 FGADRP CCOC(=O)c1c(C)c2ccccc2nc1CN1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000516770949 503583686 /nfs/dbraw/zinc/58/36/86/503583686.db2.gz UTRHQGMGQGEYRZ-JQHSSLGASA-N 2 0 367.493 3.279 20 0 FGADRP Cc1ccccc1[C@@H]([C@H](C)NC(=O)N1CC[NH+](C2CCCC2)CC1)[NH+](C)C ZINC000508871244 503584006 /nfs/dbraw/zinc/58/40/06/503584006.db2.gz PFGCMYUDDDKKCS-GHTZIAJQSA-N 2 0 372.557 3.256 20 0 FGADRP C[C@H](C[NH+]1CCC[C@@H](OCC2CC2)C1)C[N@@H+]1CCC[C@H](OCC2CC2)C1 ZINC000494704628 503596867 /nfs/dbraw/zinc/59/68/67/503596867.db2.gz SVJFEACUVHXWEO-RGPKIKJVSA-N 2 0 364.574 3.405 20 0 FGADRP CN(CC[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)CC(F)(F)F ZINC000512653206 503603770 /nfs/dbraw/zinc/60/37/70/503603770.db2.gz DEORUCWNVZYMNV-IPMKNSEASA-N 2 0 369.475 3.371 20 0 FGADRP C[C@@H]1CCC[C@H]([NH2+]Cc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)[C@H]1C ZINC000512673588 503609239 /nfs/dbraw/zinc/60/92/39/503609239.db2.gz RHLUEXBYSPLZFO-SEONNTABSA-N 2 0 357.542 3.298 20 0 FGADRP C[C@H]1C[NH2+]CC[C@@H]1NC(=O)NCc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000516959363 503631324 /nfs/dbraw/zinc/63/13/24/503631324.db2.gz LJTYAIKPIXTFOB-UWJYYQICSA-N 2 0 372.557 3.248 20 0 FGADRP C[N@@H+]1CCN(CCC[NH2+]Cc2cc(F)ccc2F)[C@@H](c2ccccc2)C1 ZINC000512819887 503639607 /nfs/dbraw/zinc/63/96/07/503639607.db2.gz FHLRIUOEVZFHMM-OAQYLSRUSA-N 2 0 359.464 3.433 20 0 FGADRP Fc1ccc(F)c(C[NH2+]CCCN2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000512823970 503640344 /nfs/dbraw/zinc/64/03/44/503640344.db2.gz YUMBONMRXQDMFM-UHFFFAOYSA-N 2 0 359.464 3.262 20 0 FGADRP CCC[N@@H+]1CC[C@H](C[NH2+]C[C@@H](O)COc2ccc(-c3ccccc3)cc2)C1 ZINC000517025127 503646559 /nfs/dbraw/zinc/64/65/59/503646559.db2.gz JEYCXCIWIUASOJ-DENIHFKCSA-N 2 0 368.521 3.415 20 0 FGADRP CC[N@H+](CC(=O)NC[C@@H](c1ccc(OC)cc1)[NH+]1CCCCC1)C1CCC1 ZINC000532977473 503683250 /nfs/dbraw/zinc/68/32/50/503683250.db2.gz IIECLFYDKRKWMF-NRFANRHFSA-N 2 0 373.541 3.213 20 0 FGADRP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]C[C@@H]2CCCCS2)CC1 ZINC000543240800 503694798 /nfs/dbraw/zinc/69/47/98/503694798.db2.gz WEQJFEBEAFEYEV-HNNXBMFYSA-N 2 0 353.963 3.467 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccc(-c2ccccc2)o1 ZINC000543282661 503710644 /nfs/dbraw/zinc/71/06/44/503710644.db2.gz GKHDFWSAZOUMHZ-IBGZPJMESA-N 2 0 369.509 3.435 20 0 FGADRP C[C@H](C(=O)N[C@@H](C)c1ccc(Cl)cc1)[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000517371922 503728470 /nfs/dbraw/zinc/72/84/70/503728470.db2.gz LNLIMHPXAYNTBW-HDMKZQKVSA-N 2 0 363.933 3.227 20 0 FGADRP CC(C)[C@H]([NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1)c1ccccc1 ZINC000540301811 503731950 /nfs/dbraw/zinc/73/19/50/503731950.db2.gz JXYMXVLMFWHHTG-NRFANRHFSA-N 2 0 367.541 3.366 20 0 FGADRP C[C@@H]1C[C@@H](NC(=O)Nc2ccc(OCC[NH+]3CCCCC3)cc2)CC[N@@H+]1C ZINC000533181662 503752392 /nfs/dbraw/zinc/75/23/92/503752392.db2.gz NYCTUJOCKVUJCC-MJGOQNOKSA-N 2 0 374.529 3.156 20 0 FGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@@H](c2ccc(F)cc2)c2cccnc2)CC1 ZINC000543403216 503756771 /nfs/dbraw/zinc/75/67/71/503756771.db2.gz QVIQQZSVSZSQIP-AVRDEDQJSA-N 2 0 370.516 3.173 20 0 FGADRP C[C@@H]1CCC[C@@](CNC(=O)NC[C@H](c2ccsc2)[NH+](C)C)([NH+](C)C)C1 ZINC000517511495 503760899 /nfs/dbraw/zinc/76/08/99/503760899.db2.gz ZWGUAWZPVWVFLK-SZVBFZGTSA-N 2 0 366.575 3.161 20 0 FGADRP C[NH+](C)C1(CN[C@@H]2CC3(CC[NH+](C)CC3)Oc3ccccc32)CCCC1 ZINC000540469672 503780698 /nfs/dbraw/zinc/78/06/98/503780698.db2.gz YNZPAEPBVHSKLF-LJQANCHMSA-N 2 0 357.542 3.439 20 0 FGADRP CC(C)(C)[N@@H+]1CCCN(C(=O)NC[C@H]2CC[NH+](Cc3ccccc3)C2)CC1 ZINC000527458212 503795465 /nfs/dbraw/zinc/79/54/65/503795465.db2.gz RONVNOHNZCRNMD-HXUWFJFHSA-N 2 0 372.557 3.024 20 0 FGADRP O=C(NC[C@@H]1CC[NH+]1C1CCCC1)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000530023199 503796093 /nfs/dbraw/zinc/79/60/93/503796093.db2.gz CRYWQYUSHJGCMN-NQIIRXRSSA-N 2 0 373.516 3.171 20 0 FGADRP C[NH+](C)CCN1CCC([NH2+][C@@H]2CCCOc3cc(Cl)ccc32)CC1 ZINC000537105318 503803895 /nfs/dbraw/zinc/80/38/95/503803895.db2.gz YQMZLTCRWYRZBK-GOSISDBHSA-N 2 0 351.922 3.169 20 0 FGADRP C[C@@H]1C[NH+](CCOc2ccc(CC[NH2+][C@@H]3CCCOCC3)cc2)C[C@H]1C ZINC000546606315 503806190 /nfs/dbraw/zinc/80/61/90/503806190.db2.gz WSOJMKNHJXKCEB-SFHLNBCPSA-N 2 0 360.542 3.354 20 0 FGADRP C[C@@H]1[C@H](C)[N@H+](C)CCN1C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000543563770 503812932 /nfs/dbraw/zinc/81/29/32/503812932.db2.gz LAFRVXIHOLNVRV-ZWKOTPCHSA-N 2 0 358.530 3.271 20 0 FGADRP CC(C)[NH+]1CCN(CCC[NH2+][C@@H](C)c2ccc(-n3cccn3)c(F)c2)CC1 ZINC000517761979 503828980 /nfs/dbraw/zinc/82/89/80/503828980.db2.gz WUTSDSGEBZNDNO-SFHVURJKSA-N 2 0 373.520 3.078 20 0 FGADRP CN1CC[NH+](CC2(C)CC[NH+](Cc3cc4cc(F)ccc4o3)CC2)CC1 ZINC000543619051 503830646 /nfs/dbraw/zinc/83/06/46/503830646.db2.gz XWPXZTFQKYFKJH-UHFFFAOYSA-N 2 0 359.489 3.421 20 0 FGADRP C[C@@H]([NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1)c1cccc(F)c1F ZINC000540660918 503848192 /nfs/dbraw/zinc/84/81/92/503848192.db2.gz AOQZYSGYIJFBPO-CQSZACIVSA-N 2 0 367.484 3.242 20 0 FGADRP CC1CC[NH+](CCc2cccc(NC(=O)NCC3=CC[N@H+](C)CC3)c2)CC1 ZINC000537226143 503848473 /nfs/dbraw/zinc/84/84/73/503848473.db2.gz RCVZNXYGWXWGHB-UHFFFAOYSA-N 2 0 370.541 3.344 20 0 FGADRP CC[C@@H]([NH2+]CC(=O)N1CCC[N@H+](Cc2ccccc2C)CC1)C(C)(C)C ZINC000537291764 503871533 /nfs/dbraw/zinc/87/15/33/503871533.db2.gz WXRFKXUMMYAPNV-HXUWFJFHSA-N 2 0 359.558 3.444 20 0 FGADRP O[C@H]1CCC[C@@H]1[NH+]1CCC([NH2+]CC2(O)CCC(c3ccccc3)CC2)CC1 ZINC000530233254 503884815 /nfs/dbraw/zinc/88/48/15/503884815.db2.gz WASXTUKBXLQWLL-CIFBLZBGSA-N 2 0 372.553 3.043 20 0 FGADRP CC(C)(C)c1ccc(NC(=O)CN2CCC(CO[C@H]3CC[NH2+]C3)CC2)cc1 ZINC000530238452 503888295 /nfs/dbraw/zinc/88/82/95/503888295.db2.gz NSOBBDVKIMBNKV-FQEVSTJZSA-N 2 0 373.541 3.013 20 0 FGADRP Cc1oc(-c2ccsc2)nc1C[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530242312 503890859 /nfs/dbraw/zinc/89/08/59/503890859.db2.gz SMQVFRRFVVHCMY-KRWDZBQOSA-N 2 0 361.511 3.302 20 0 FGADRP CC[NH+]1CCC(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2CC(C)C)CC1 ZINC000527717212 503911642 /nfs/dbraw/zinc/91/16/42/503911642.db2.gz SQRGWDCFJQNYSZ-IFMALSPDSA-N 2 0 371.569 3.381 20 0 FGADRP c1nn(-c2ccccc2)cc1C[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000518164203 503918783 /nfs/dbraw/zinc/91/87/83/503918783.db2.gz ACWHFCJSGMDQAF-IFMALSPDSA-N 2 0 360.461 3.218 20 0 FGADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)N(c1ccccc1)c1ccccc1 ZINC000543906442 503937684 /nfs/dbraw/zinc/93/76/84/503937684.db2.gz KIYHZYHAYMHPLE-UHFFFAOYSA-N 2 0 354.498 3.370 20 0 FGADRP CC[NH+](CC)CCCC1CCN(C(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000541120856 504015952 /nfs/dbraw/zinc/01/59/52/504015952.db2.gz RGNRQKPRRKDLMR-PKOBYXMFSA-N 2 0 352.567 3.013 20 0 FGADRP CC[NH+](CC)[C@H](C(=O)N(C)CC[NH+](C)C)c1cccc(C(F)(F)F)c1 ZINC000537720143 504016485 /nfs/dbraw/zinc/01/64/85/504016485.db2.gz PAHRNBBKZZIUNN-INIZCTEOSA-N 2 0 359.436 3.108 20 0 FGADRP CCO[C@H]1C[C@H]([NH2+]Cc2ccncc2OCCC[NH+](C)C)C12CCCC2 ZINC000518607493 504025669 /nfs/dbraw/zinc/02/56/69/504025669.db2.gz CQEMYWWKZCFIBW-PMACEKPBSA-N 2 0 361.530 3.240 20 0 FGADRP CC[N@H+](CCNC(=O)N[C@H]1CCN(C)[C@@H]1c1ccc(Cl)cc1)C(C)C ZINC000534055227 504027572 /nfs/dbraw/zinc/02/75/72/504027572.db2.gz HWQDGNZBWKIYIW-ZWKOTPCHSA-N 2 0 366.937 3.115 20 0 FGADRP COc1ccc(CC[NH2+]C2CC[NH+]([C@@H](C)Cc3ccccc3)CC2)cn1 ZINC000527990217 504029018 /nfs/dbraw/zinc/02/90/18/504029018.db2.gz LKBHBSKARZEOHS-SFHVURJKSA-N 2 0 353.510 3.318 20 0 FGADRP C[C@H](C(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000530641846 504036007 /nfs/dbraw/zinc/03/60/07/504036007.db2.gz VVPUDYXJIBYINF-ZDUSSCGKSA-N 2 0 360.329 3.049 20 0 FGADRP Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)[NH2+]C[C@]1(O)CCN(C)C1 ZINC000547281519 504046852 /nfs/dbraw/zinc/04/68/52/504046852.db2.gz BWPMGYXGUXZLEQ-KPZWWZAWSA-N 2 0 365.930 3.489 20 0 FGADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)NCCC[NH2+]C1CCCCC1 ZINC000518723664 504049717 /nfs/dbraw/zinc/04/97/17/504049717.db2.gz KLXLKBCDYHBFOO-LJQANCHMSA-N 2 0 352.567 3.253 20 0 FGADRP C[C@@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2)C1CCOCC1 ZINC000518784205 504063102 /nfs/dbraw/zinc/06/31/02/504063102.db2.gz URRHRNFUGUJJTF-KNQAVFIVSA-N 2 0 372.553 3.320 20 0 FGADRP C[C@@H](CCN1C(=O)c2ccccc2C1=O)[NH2+]CCCC[N@@H+]1CCC[C@H](C)C1 ZINC000547367969 504079107 /nfs/dbraw/zinc/07/91/07/504079107.db2.gz YFTAGQFMSWSJDJ-ROUUACIJSA-N 2 0 371.525 3.163 20 0 FGADRP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)NC[C@@H]1CC[NH+](C(C)C)C1 ZINC000547387774 504087598 /nfs/dbraw/zinc/08/75/98/504087598.db2.gz ZBYXPXDAJPVTEA-SFTDATJTSA-N 2 0 374.573 3.173 20 0 FGADRP C[NH+](C)[C@H](CNC(=O)NCC1([NH+](C)C)CCCC1)c1ccc(Cl)cc1 ZINC000530839094 504102347 /nfs/dbraw/zinc/10/23/47/504102347.db2.gz FYNMXSIPWYNZGY-QGZVFWFLSA-N 2 0 366.937 3.116 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1CCNC(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000530840630 504104066 /nfs/dbraw/zinc/10/40/66/504104066.db2.gz BHUCVKBVCFMMSE-QAPCUYQASA-N 2 0 366.937 3.116 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1CCCNC(=O)[C@@H](c1cccc(Cl)c1)N(C)C ZINC000518969658 504106353 /nfs/dbraw/zinc/10/63/53/504106353.db2.gz MOYPAFXISQIESO-CRAIPNDOSA-N 2 0 351.922 3.323 20 0 FGADRP C[NH+](C)Cc1ccc(CNC(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)cc1 ZINC000519011594 504118206 /nfs/dbraw/zinc/11/82/06/504118206.db2.gz BGRIKJQUWCVQAI-OAQYLSRUSA-N 2 0 351.494 3.029 20 0 FGADRP C[C@H]1C[C@@H]([NH2+]CCCN2CCN(c3cc[nH+]cc3)CC2)c2ccccc21 ZINC000519026180 504121969 /nfs/dbraw/zinc/12/19/69/504121969.db2.gz FZKCUALMEMTLQZ-PGRDOPGGSA-N 2 0 350.510 3.432 20 0 FGADRP C[N@H+](CCCNC(=O)N1CCC[C@H]1C[NH+]1CCCCC1)Cc1ccccc1 ZINC000519172656 504156132 /nfs/dbraw/zinc/15/61/32/504156132.db2.gz JWUIQXKRBUPLBE-NRFANRHFSA-N 2 0 372.557 3.168 20 0 FGADRP C[C@H]1C[NH+](CCOc2ccc(CC[NH2+][C@@H]3CCO[C@H](C)C3)cc2)C[C@@H]1C ZINC000538196791 504158613 /nfs/dbraw/zinc/15/86/13/504158613.db2.gz ALLGUYLADBIEJQ-CTAFRAEOSA-N 2 0 360.542 3.353 20 0 FGADRP C[C@@H]([NH2+]CCc1ccc(OCC[N@@H+]2C[C@H](C)[C@H](C)C2)cc1)[C@H]1CCOC1 ZINC000538198250 504159196 /nfs/dbraw/zinc/15/91/96/504159196.db2.gz VVLFXHVFVJGOQE-HDAAZOAOSA-N 2 0 360.542 3.210 20 0 FGADRP Cc1cc(C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)cc2cccnc12 ZINC000541536716 504169718 /nfs/dbraw/zinc/16/97/18/504169718.db2.gz JJTIIAJFUZQRDC-WIYYLYMNSA-N 2 0 352.526 3.001 20 0 FGADRP CCC(C)(C)[NH2+][C@H](C)C(=O)N(CC[NH+](C)C)Cc1ccc(F)c(F)c1 ZINC000541572320 504183114 /nfs/dbraw/zinc/18/31/14/504183114.db2.gz FCCDTOSHVBNZHW-CQSZACIVSA-N 2 0 355.473 3.022 20 0 FGADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)C1 ZINC000519356824 504201059 /nfs/dbraw/zinc/20/10/59/504201059.db2.gz XEBSXIABUMKZFM-HMXCVIKNSA-N 2 0 370.541 3.092 20 0 FGADRP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000519382361 504208296 /nfs/dbraw/zinc/20/82/96/504208296.db2.gz XUCHZYVWWFQULJ-YRPNKDGESA-N 2 0 364.578 3.013 20 0 FGADRP CCc1ccc([C@H](CNC(=O)N2CC[C@H]([NH+]3CCCCC3)C2)[NH+](C)C)cc1 ZINC000519383443 504208408 /nfs/dbraw/zinc/20/84/08/504208408.db2.gz WOTBAVRTYARFPU-SFTDATJTSA-N 2 0 372.557 3.122 20 0 FGADRP CN1CC[NH+](CC2(C)CC[NH+](Cc3cccc4cccnc43)CC2)CC1 ZINC000541661918 504214002 /nfs/dbraw/zinc/21/40/02/504214002.db2.gz BXCKDHREWYJSEL-UHFFFAOYSA-N 2 0 352.526 3.084 20 0 FGADRP CC(C)[N@@H+]1CC[C@H](CNC(=O)N[C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000531191188 504221965 /nfs/dbraw/zinc/22/19/65/504221965.db2.gz DGXZTBQTHSRZQY-NRSPTQNISA-N 2 0 372.557 3.069 20 0 FGADRP Cc1ccc([C@@H]2CC[N@@H+](CC(=O)NC[C@H](c3ccccc3)[NH+](C)C)C2)cc1 ZINC000547787244 504224957 /nfs/dbraw/zinc/22/49/57/504224957.db2.gz RGBZATISTNPKFX-FGZHOGPDSA-N 2 0 365.521 3.203 20 0 FGADRP CC[C@@H]([NH2+]CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)c1ccc(C)cc1 ZINC000547787136 504225205 /nfs/dbraw/zinc/22/52/05/504225205.db2.gz HDBBUFRNYNELDC-NHCUHLMSSA-N 2 0 353.510 3.455 20 0 FGADRP C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)NCC2(C[NH+](C)C)CCCC2)C1 ZINC000544701847 504225906 /nfs/dbraw/zinc/22/59/06/504225906.db2.gz AWAWMJQCQJFACE-OALUTQOASA-N 2 0 366.594 3.166 20 0 FGADRP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000541786733 504255002 /nfs/dbraw/zinc/25/50/02/504255002.db2.gz DYHVOFHQLSPFCO-WIYYLYMNSA-N 2 0 372.557 3.195 20 0 FGADRP C[C@@H]1CCC[N@H+](Cc2ccccc2C[NH2+][C@@H](Cc2ccccc2)C(N)=O)C1 ZINC000541800315 504258705 /nfs/dbraw/zinc/25/87/05/504258705.db2.gz WUPGOEHIUKIQBD-GCJKJVERSA-N 2 0 365.521 3.105 20 0 FGADRP CC(C)[NH+]1CCN(CCC[NH+]2CCC(Oc3cccc(F)c3)CC2)CC1 ZINC000528575776 504278912 /nfs/dbraw/zinc/27/89/12/504278912.db2.gz YRWSKOMHPCSOTI-UHFFFAOYSA-N 2 0 363.521 3.085 20 0 FGADRP Cc1cc(NC(=O)N2CC[NH+](C3CCC3)CC2)cnc1N1CCCC[C@H]1C ZINC000541878074 504286600 /nfs/dbraw/zinc/28/66/00/504286600.db2.gz HHUUTDAJMGBXAC-QGZVFWFLSA-N 2 0 371.529 3.471 20 0 FGADRP C[C@@H](c1cccc2ccccc21)[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000519654289 504290530 /nfs/dbraw/zinc/29/05/30/504290530.db2.gz REWFKCXRMZLGSU-HKUYNNGSSA-N 2 0 351.494 3.045 20 0 FGADRP C[NH+](C)CCOC1CC[NH+](Cc2ccccc2OCc2cccnc2)CC1 ZINC000538732062 504348992 /nfs/dbraw/zinc/34/89/92/504348992.db2.gz IOYNXDHUWJIRKO-UHFFFAOYSA-N 2 0 369.509 3.203 20 0 FGADRP CC(C)[NH+]1CCC(O)(C[NH2+]Cc2c[nH]nc2-c2ccc(Cl)cc2)CC1 ZINC000531609590 504362450 /nfs/dbraw/zinc/36/24/50/504362450.db2.gz UQRUPIKQDPPOIM-UHFFFAOYSA-N 2 0 362.905 3.055 20 0 FGADRP CC[N@@H+]1CC[C@H](CNC(=O)Nc2cccc(CC[NH+]3CCC(C)CC3)c2)C1 ZINC000538773416 504364928 /nfs/dbraw/zinc/36/49/28/504364928.db2.gz NHBHLQSLMRKFQK-HXUWFJFHSA-N 2 0 372.557 3.424 20 0 FGADRP COc1cccc(CC[NH2+][C@@H]2CCN(Cc3ccccn3)C[C@H]2C)c1OC ZINC000531700286 504397255 /nfs/dbraw/zinc/39/72/55/504397255.db2.gz FOKIYDJWFLDIOQ-YLJYHZDGSA-N 2 0 369.509 3.142 20 0 FGADRP C[C@@H](C[NH2+][C@@H](C)c1sccc1Br)CN1CC[NH+](C)CC1 ZINC000531705576 504398074 /nfs/dbraw/zinc/39/80/74/504398074.db2.gz URZBSMJWSPSIBQ-STQMWFEESA-N 2 0 360.365 3.045 20 0 FGADRP C[C@@H](CNC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1)[NH+]1CCCC[C@H]1C ZINC000520178249 504427727 /nfs/dbraw/zinc/42/77/27/504427727.db2.gz WTDLZVWEZHXCTQ-DYXWJJEUSA-N 2 0 357.542 3.278 20 0 FGADRP CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)CCN(C)c1cc[nH+]cc1 ZINC000545305711 504436876 /nfs/dbraw/zinc/43/68/76/504436876.db2.gz PHDRZGHYUZLFFJ-OAQYLSRUSA-N 2 0 368.525 3.181 20 0 FGADRP CC[C@@H](C)[N@H+](C)CCNC(=O)NC[C@@H]1CCC[NH+]1CC1CCCCC1 ZINC000520242381 504444328 /nfs/dbraw/zinc/44/43/28/504444328.db2.gz LDBWXVXNMDBQRJ-MJGOQNOKSA-N 2 0 352.567 3.061 20 0 FGADRP CC[NH+]1CCC(CNC(=O)N2CC[C@H](C)[N@H+](Cc3ccccc3)CC2)CC1 ZINC000520301694 504459354 /nfs/dbraw/zinc/45/93/54/504459354.db2.gz QURNICZUOXWTSS-IBGZPJMESA-N 2 0 372.557 3.024 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(OCCO)cc1 ZINC000539069945 504463273 /nfs/dbraw/zinc/46/32/73/504463273.db2.gz AXBIKQKOVWSFOG-GCJKJVERSA-N 2 0 354.494 3.058 20 0 FGADRP C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)c3c[nH+]ccc3N(C)C)cc2)C1 ZINC000545377819 504466420 /nfs/dbraw/zinc/46/64/20/504466420.db2.gz JNHVVHCKLBEFPO-KRWDZBQOSA-N 2 0 366.509 3.310 20 0 FGADRP CC[C@H]([NH2+]CCCN1CC[N@H+](C)C[C@@H]1c1ccccc1)C1CCOCC1 ZINC000531940003 504482046 /nfs/dbraw/zinc/48/20/46/504482046.db2.gz LITBUYRIUFECNS-FCHUYYIVSA-N 2 0 359.558 3.160 20 0 FGADRP C[C@H](CNC(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1)[NH+](C)Cc1ccccc1 ZINC000520378585 504483205 /nfs/dbraw/zinc/48/32/05/504483205.db2.gz JRPRCORTCBCAJY-WOJBJXKFSA-N 2 0 374.573 3.318 20 0 FGADRP NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+][C@H](c2ccc(F)cc2)C2CCCC2)C1 ZINC000539200340 504496572 /nfs/dbraw/zinc/49/65/72/504496572.db2.gz FQHGIUBUGQGDIK-QUCCMNQESA-N 2 0 361.505 3.234 20 0 FGADRP C[C@@H]1C[C@H]([NH2+]Cc2cc(C(F)(F)F)ccc2N2CC[NH+](C)CC2)CCO1 ZINC000539215430 504499134 /nfs/dbraw/zinc/49/91/34/504499134.db2.gz NIPPAMARKDMOSV-RHSMWYFYSA-N 2 0 371.447 3.114 20 0 FGADRP C[C@@H]([NH2+]CCc1ccc(OCC[NH+]2C[C@@H](C)[C@H](C)C2)cc1)[C@@H]1CCCO1 ZINC000542493603 504512777 /nfs/dbraw/zinc/51/27/77/504512777.db2.gz GKSZBJMBAUMCNH-YXTQBTIXSA-N 2 0 360.542 3.353 20 0 FGADRP C[NH+](C)Cc1ccc(C(=O)NC[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)cc1 ZINC000520580823 504533867 /nfs/dbraw/zinc/53/38/67/504533867.db2.gz OZSMGOJFSXZXOY-PZJWPPBQSA-N 2 0 369.484 3.010 20 0 FGADRP CCC[C@@H]([NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1)c1cccnc1 ZINC000542663099 504569705 /nfs/dbraw/zinc/56/97/05/504569705.db2.gz YJSWSAGMESQRIU-LJQANCHMSA-N 2 0 360.546 3.139 20 0 FGADRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCC[NH+]2[C@@H](C)CCC[C@@H]2C)C1 ZINC000520756148 504575145 /nfs/dbraw/zinc/57/51/45/504575145.db2.gz FCUMQOPHXSNHJR-SQNIBIBYSA-N 2 0 352.567 3.059 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(F)c(COC)c2)[C@@H](C)C1 ZINC000532224543 504578647 /nfs/dbraw/zinc/57/86/47/504578647.db2.gz LERMQLYTIREVEL-JXFKEZNVSA-N 2 0 352.494 3.199 20 0 FGADRP C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+][C@@H]1CN(C2CC2)C[C@@H]1C ZINC000532246786 504584753 /nfs/dbraw/zinc/58/47/53/504584753.db2.gz DGPWGGJMOQMVEX-QMTMVMCOSA-N 2 0 363.933 3.149 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1)CC(C)C ZINC000535950939 504590761 /nfs/dbraw/zinc/59/07/61/504590761.db2.gz SWUPVHUWBGCVQZ-UXHICEINSA-N 2 0 366.594 3.116 20 0 FGADRP CCn1ccnc1C[NH2+]C[C@@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000539564917 504609978 /nfs/dbraw/zinc/60/99/78/504609978.db2.gz CKXKVEOTKQDRQL-KSSFIOAISA-N 2 0 350.869 3.478 20 0 FGADRP C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)N[C@@H]3CC[NH2+]C34CCC4)cc2)C1 ZINC000529290643 504621635 /nfs/dbraw/zinc/62/16/35/504621635.db2.gz UJBRJIVYRJXHGC-FXAWDEMLSA-N 2 0 370.541 3.002 20 0 FGADRP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@H]1CCC[NH+]1Cc1ccccc1 ZINC000521139644 504659077 /nfs/dbraw/zinc/65/90/77/504659077.db2.gz HZTXNLUZSXPVQV-YOUFYPILSA-N 2 0 357.542 3.134 20 0 FGADRP Cc1cc(C[NH+](C)C)cc(NC(=O)CC2([NH+]3CCOCC3)CCCC2)c1 ZINC000536216963 504669048 /nfs/dbraw/zinc/66/90/48/504669048.db2.gz WETVXUYKHGNOSG-UHFFFAOYSA-N 2 0 359.514 3.030 20 0 FGADRP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)c1sccc1Br ZINC000532505490 504673757 /nfs/dbraw/zinc/67/37/57/504673757.db2.gz DKIJRVVVFHDJAL-STQMWFEESA-N 2 0 361.349 3.398 20 0 FGADRP OC[C@H](C[NH2+]C1CC[NH+](CC2CC2)CC1)Cc1c(F)cccc1Cl ZINC000532531361 504684857 /nfs/dbraw/zinc/68/48/57/504684857.db2.gz SAEAYKDJOSESNA-HNNXBMFYSA-N 2 0 354.897 3.094 20 0 FGADRP C[C@H](C[NH2+][C@@H]1CCCc2c(Br)cccc21)N1CC[NH+](C)CC1 ZINC000543081625 504717283 /nfs/dbraw/zinc/71/72/83/504717283.db2.gz YHZKYCYAKPBBCL-RDTXWAMCSA-N 2 0 366.347 3.052 20 0 FGADRP COCC[N@H+](C)CCCC1CC[NH+](Cc2cnc3cccc(C)n23)CC1 ZINC000539852807 504718646 /nfs/dbraw/zinc/71/86/46/504718646.db2.gz SNHCPDFMGSWUPE-UHFFFAOYSA-N 2 0 358.530 3.213 20 0 FGADRP COc1ccc([C@@H](C[NH+]2CCCC2)NC(=O)[C@H](C)[NH+]2CCCCCC2)cc1 ZINC000539932582 504741842 /nfs/dbraw/zinc/74/18/42/504741842.db2.gz SVADYIDNWZTRTA-GHTZIAJQSA-N 2 0 373.541 3.213 20 0 FGADRP CC[N@H+](CCC1CCN(C(=O)NCCC[NH+]2CCCC2)CC1)CC1CC1 ZINC000540012193 504759038 /nfs/dbraw/zinc/75/90/38/504759038.db2.gz GABHVFLTPFYHKU-UHFFFAOYSA-N 2 0 364.578 3.016 20 0 FGADRP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)c1ccccc1CC1CC[NH2+]CC1 ZINC000565033594 504776460 /nfs/dbraw/zinc/77/64/60/504776460.db2.gz BSBYJAPGNYUKRL-QZTJIDSGSA-N 2 0 357.542 3.221 20 0 FGADRP c1ccc(C[NH+]2CCN(CCC[NH2+]C3CCC4(CCCO4)CC3)CC2)cc1 ZINC000562303303 504778266 /nfs/dbraw/zinc/77/82/66/504778266.db2.gz VECKTWDNKDXCNY-UHFFFAOYSA-N 2 0 371.569 3.276 20 0 FGADRP C[C@H](NC(=O)C[NH+]1CCC(CC[NH3+])CC1)c1ccc(Cl)c(Cl)c1 ZINC000565096516 504792252 /nfs/dbraw/zinc/79/22/52/504792252.db2.gz SOFDCYBZMQWSRU-LBPRGKRZSA-N 2 0 358.313 3.231 20 0 FGADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)[C@@H]2CCc3cncn3C2)cc1 ZINC000552981211 504797709 /nfs/dbraw/zinc/79/77/09/504797709.db2.gz HCLJUJCXLHBDHW-FXAWDEMLSA-N 2 0 366.509 3.136 20 0 FGADRP Cc1cnn(CCCCC[NH+]2CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)c1 ZINC000565144896 504807428 /nfs/dbraw/zinc/80/74/28/504807428.db2.gz FOJMLHOTRQWKBK-WOJBJXKFSA-N 2 0 362.562 3.183 20 0 FGADRP C[NH+](C)Cc1ccccc1CNC(=O)[C@@H]1C[NH2+]C[C@H]1c1ccc(Cl)cc1 ZINC000565155064 504810476 /nfs/dbraw/zinc/81/04/76/504810476.db2.gz ILFGIWJRDWRTRL-VQTJNVASSA-N 2 0 371.912 3.021 20 0 FGADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000549472592 504831881 /nfs/dbraw/zinc/83/18/81/504831881.db2.gz SRALUNYUWBLFHD-QZTJIDSGSA-N 2 0 366.937 3.116 20 0 FGADRP CC1(C)CC([NH2+]C[C@H](O)COc2cccc3ccccc32)CC(C)(C)[NH2+]1 ZINC000559582010 504890978 /nfs/dbraw/zinc/89/09/78/504890978.db2.gz OPSKCTKEOUNFTE-SFHVURJKSA-N 2 0 356.510 3.478 20 0 FGADRP C[NH+](C)CCCC(C)(C)NC(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000562669252 504902022 /nfs/dbraw/zinc/90/20/22/504902022.db2.gz XHCVDEOEUBZMLI-QGZVFWFLSA-N 2 0 368.953 3.362 20 0 FGADRP C[C@@H]1C[NH+](CCCC[NH2+][C@@H]2CCN(C)[C@H](c3ccccc3)C2)C[C@@H](C)O1 ZINC000559742850 504921419 /nfs/dbraw/zinc/92/14/19/504921419.db2.gz GQLYLJCLAMNTAR-CZAYHTPWSA-N 2 0 359.558 3.301 20 0 FGADRP O=C(NC[C@H]1CCC[N@@H+]1CC1CCCCC1)Nc1ccc2c(c1)C[NH2+]C2 ZINC000562772911 504940849 /nfs/dbraw/zinc/94/08/49/504940849.db2.gz FLHZDEPHAIEGPG-HXUWFJFHSA-N 2 0 356.514 3.456 20 0 FGADRP COc1ccc([C@H](Cc2ccccc2)[NH2+]C[C@H](C)N2CC[NH+](C)CC2)cc1 ZINC000565690178 504959256 /nfs/dbraw/zinc/95/92/56/504959256.db2.gz RGNUNHCTSOVMMF-CVDCTZTESA-N 2 0 367.537 3.205 20 0 FGADRP [NH3+][C@H]1CCCO[C@@H]1C1CC[NH+](Cc2ncc(-c3ccc(F)cc3)o2)CC1 ZINC000562839010 504961542 /nfs/dbraw/zinc/96/15/42/504961542.db2.gz XJVNROUTIVNIFN-FXAWDEMLSA-N 2 0 359.445 3.199 20 0 FGADRP c1ccc(C[N@H+]2CC[C@H]([NH2+]CCOC[C@@H]3CCCO3)[C@@H]3CCC[C@@H]32)cc1 ZINC000565757693 504979013 /nfs/dbraw/zinc/97/90/13/504979013.db2.gz CZHMYARAKDOKAP-CMOCDZPBSA-N 2 0 358.526 3.215 20 0 FGADRP C[C@H](CCc1ccc(F)cc1F)[NH2+]C1CCN(C2CC[NH+](C)CC2)CC1 ZINC000556869028 505001387 /nfs/dbraw/zinc/00/13/87/505001387.db2.gz DHFWNOMSBWDWNF-MRXNPFEDSA-N 2 0 365.512 3.434 20 0 FGADRP COc1ccc(C[NH+]2CCC(C[NH2+]C[C@H](O)Cc3ccccc3)CC2)cc1 ZINC000562985204 505009534 /nfs/dbraw/zinc/00/95/34/505009534.db2.gz ILKZOQFCHGYHRD-JOCHJYFZSA-N 2 0 368.521 3.100 20 0 FGADRP CC(C)[C@@]1(CO)CCC[N@H+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)C1 ZINC000556958338 505031183 /nfs/dbraw/zinc/03/11/83/505031183.db2.gz CYUSTIHVCAVFPV-QHCPKHFHSA-N 2 0 373.585 3.448 20 0 FGADRP CC(C)[N@@H+](C)C[C@H](C)NC(=O)N[C@@H]1CC[NH+](Cc2ccccc2)CC1(C)C ZINC000565982615 505045298 /nfs/dbraw/zinc/04/52/98/505045298.db2.gz CCXOVOSCEUGFEE-AZUAARDMSA-N 2 0 374.573 3.315 20 0 FGADRP Cc1nc2ccccc2n1CC[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000566089580 505077140 /nfs/dbraw/zinc/07/71/40/505077140.db2.gz RRXSIHZGIYQBDN-UGKGYDQZSA-N 2 0 362.477 3.190 20 0 FGADRP Cc1c([C@H](C)[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)nnn1-c1ccc(Cl)cc1 ZINC000566092201 505077596 /nfs/dbraw/zinc/07/75/96/505077596.db2.gz OXQBEVDQIFMCPK-NZUILWFCSA-N 2 0 359.905 3.268 20 0 FGADRP C[N@@H+]1CCC[C@@H](CNC(=O)c2ccc3c[nH+]cn3c2)[C@H]1c1cccs1 ZINC000550665143 505082239 /nfs/dbraw/zinc/08/22/39/505082239.db2.gz DVPQKVSIINVRHI-KSSFIOAISA-N 2 0 354.479 3.209 20 0 FGADRP C[NH+](C)Cc1ccccc1C(=O)NC[C@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000563262160 505091125 /nfs/dbraw/zinc/09/11/25/505091125.db2.gz LAQAOYMODFBGFN-GOSISDBHSA-N 2 0 373.928 3.477 20 0 FGADRP Cc1ccc(NC(=O)NC[C@@H]2CCC[N@H+](CC[C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000557336483 505109303 /nfs/dbraw/zinc/10/93/03/505109303.db2.gz TYQJUSSDMXRGGT-OALUTQOASA-N 2 0 358.530 3.218 20 0 FGADRP Cc1ncn(-c2ccc(NC(=O)[C@@H]3COCCN3C3CCCC3)cc2)c1C ZINC000563330850 505110529 /nfs/dbraw/zinc/11/05/29/505110529.db2.gz SMOFZEFKHSRPET-FQEVSTJZSA-N 2 0 368.481 3.071 20 0 FGADRP C[C@H]([NH2+][C@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21)c1cc[nH]c(=O)c1 ZINC000550860295 505115302 /nfs/dbraw/zinc/11/53/02/505115302.db2.gz ITAJUWAORVVUFO-YJBOKZPZSA-N 2 0 353.466 3.426 20 0 FGADRP C[C@H]([NH2+][C@@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21)c1cc[nH]c(=O)c1 ZINC000550860293 505115578 /nfs/dbraw/zinc/11/55/78/505115578.db2.gz ITAJUWAORVVUFO-MAUKXSAKSA-N 2 0 353.466 3.426 20 0 FGADRP CN(c1ccccc1C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1)C1CC[NH+](C)CC1 ZINC000566230129 505119280 /nfs/dbraw/zinc/11/92/80/505119280.db2.gz KLSBFUZKDXOGDC-FQEVSTJZSA-N 3 0 370.585 3.039 20 0 FGADRP C[C@@H]([NH2+]CCCCC[NH+]1CCCC1)[C@@H](c1ccccc1)N1CCOCC1 ZINC000550881994 505119375 /nfs/dbraw/zinc/11/93/75/505119375.db2.gz GZCZECISAYVBEN-IRLDBZIGSA-N 2 0 359.558 3.304 20 0 FGADRP Cn1ccnc1[C@H](NC(=O)NCC1([NH+]2CCCCC2)CCCCC1)C1CC1 ZINC000554254135 505125578 /nfs/dbraw/zinc/12/55/78/505125578.db2.gz XXGPQRMJELQDSQ-GOSISDBHSA-N 2 0 373.545 3.359 20 0 FGADRP CC[C@H](C)[NH2+][C@@H](CNC(=O)NCC(C)(C)[NH+]1CCCCC1)c1ccco1 ZINC000554255267 505126843 /nfs/dbraw/zinc/12/68/43/505126843.db2.gz RCUYTHSPCVNYFX-IRXDYDNUSA-N 2 0 364.534 3.273 20 0 FGADRP CCC[NH+]1CCC(Nc2cncc(NC3CC[NH+](CCC)CC3)n2)CC1 ZINC000557478884 505146266 /nfs/dbraw/zinc/14/62/66/505146266.db2.gz QJDOCWHOZONYOF-UHFFFAOYSA-N 2 0 360.550 3.049 20 0 FGADRP CC(C)[NH+]1CCC(NC(=O)CN2[C@H](C)Cc3cc(F)ccc3[C@H]2C)CC1 ZINC000560638091 505150524 /nfs/dbraw/zinc/15/05/24/505150524.db2.gz ICGCAPGBMPAQDI-HZPDHXFCSA-N 2 0 361.505 3.122 20 0 FGADRP CC(C)[N@@H+]1CCCC[C@H]1CN1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000551070111 505152304 /nfs/dbraw/zinc/15/23/04/505152304.db2.gz TXYYTGWGJBVSOE-SBHAEUEKSA-N 2 0 351.579 3.071 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccco1 ZINC000557577161 505172815 /nfs/dbraw/zinc/17/28/15/505172815.db2.gz RWJIDSAPMPUKGL-PMACEKPBSA-N 2 0 369.509 3.301 20 0 FGADRP CC1(C)CC[N@H+](CC(=O)N[C@@H]2CC[NH+](Cc3ccccc3)CC2(C)C)C1 ZINC000566459990 505182253 /nfs/dbraw/zinc/18/22/53/505182253.db2.gz NNRWPPMFBFXETR-LJQANCHMSA-N 2 0 357.542 3.135 20 0 FGADRP C[C@@H](NC(=O)NCc1cccc(C[NH+]2CCC(C)CC2)c1)[C@H]1CCC[NH2+]C1 ZINC000563610305 505191965 /nfs/dbraw/zinc/19/19/65/505191965.db2.gz PYBGRBHIIVWBJG-NQIIRXRSSA-N 2 0 372.557 3.106 20 0 FGADRP O[C@H](C[NH2+]CC1CC[NH+](C2CC2)CC1)COc1cccc2ccccc21 ZINC000566556038 505205248 /nfs/dbraw/zinc/20/52/48/505205248.db2.gz BUBJABYBHBYICZ-HXUWFJFHSA-N 2 0 354.494 3.044 20 0 FGADRP C[C@@H]1C[N@@H+](CC2CC[NH+](Cc3ccc(C(F)(F)F)cn3)CC2)C[C@H](C)O1 ZINC000551387142 505215550 /nfs/dbraw/zinc/21/55/50/505215550.db2.gz STEFCTGQBXSERJ-GASCZTMLSA-N 2 0 371.447 3.422 20 0 FGADRP C[C@@H]1C[NH+](CCC2CC[NH+](Cc3ccc4c(c3)C[NH2+]CC4)CC2)C[C@@H](C)O1 ZINC000563725965 505222663 /nfs/dbraw/zinc/22/26/63/505222663.db2.gz XFAJOTCNVWONDU-RTBURBONSA-N 3 0 371.569 3.044 20 0 FGADRP C[C@H]1C[NH+](CCCCC[N@H+]2C[C@H](C)OC3(CCC3)C2)CC2(CCC2)O1 ZINC000566676523 505241506 /nfs/dbraw/zinc/24/15/06/505241506.db2.gz RCUWVGWUYDSETP-OALUTQOASA-N 2 0 350.547 3.444 20 0 FGADRP C[C@H]([NH3+])[C@@H]1CCN(C(=O)NCc2ccccc2C[N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000566727237 505256755 /nfs/dbraw/zinc/25/67/55/505256755.db2.gz DCSWLSWQYNSEKT-HLNWXESRSA-N 2 0 372.557 3.043 20 0 FGADRP COc1ccc([C@H](C[NH3+])CN2CC[C@@H](C)[N@H+](Cc3ccccc3)CC2)cc1 ZINC000566741217 505260674 /nfs/dbraw/zinc/26/06/74/505260674.db2.gz UJSCUMHFLLOKRX-DENIHFKCSA-N 2 0 367.537 3.334 20 0 FGADRP COc1cc(C)c(C[NH2+]Cc2ccc(OC3CC[NH+](C)CC3)cc2)c(C)n1 ZINC000551619196 505268365 /nfs/dbraw/zinc/26/83/65/505268365.db2.gz DPZSTBGSLPTJJD-UHFFFAOYSA-N 2 0 369.509 3.470 20 0 FGADRP CN(CCC[N@H+](C)Cc1ccc(-c2ccncc2)cc1F)CC[NH+](C)C ZINC000554889458 505291782 /nfs/dbraw/zinc/29/17/82/505291782.db2.gz OIZPYYGZSRTBML-UHFFFAOYSA-N 2 0 358.505 3.203 20 0 FGADRP CN(CCC[N@H+](C)Cc1ccncc1)C(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC000564005410 505299880 /nfs/dbraw/zinc/29/98/80/505299880.db2.gz FVJSPZITPONWGX-OAQYLSRUSA-N 2 0 372.557 3.159 20 0 FGADRP CC(C)[NH2+]CCC(=O)NCc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000558157389 505322280 /nfs/dbraw/zinc/32/22/80/505322280.db2.gz JBHRGXBHRMLHFL-UHFFFAOYSA-N 2 0 353.510 3.420 20 0 FGADRP CCC[NH+]1CCN(c2ccccc2C[NH2+]CCCc2nccs2)CC1 ZINC000558192946 505331666 /nfs/dbraw/zinc/33/16/66/505331666.db2.gz QZGLVJNKBPFDNR-UHFFFAOYSA-N 2 0 358.555 3.398 20 0 FGADRP COc1ccc(C[NH+]2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)cc1OC(F)F ZINC000567093961 505361506 /nfs/dbraw/zinc/36/15/06/505361506.db2.gz WOMWNCLMGRVEHF-YJBOKZPZSA-N 2 0 370.440 3.015 20 0 FGADRP COc1ccc(C[NH+]2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)cc1OC(F)F ZINC000567093958 505362009 /nfs/dbraw/zinc/36/20/09/505362009.db2.gz WOMWNCLMGRVEHF-CRAIPNDOSA-N 2 0 370.440 3.015 20 0 FGADRP CCc1cc(CCC[NH+]2CCC(CC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)on1 ZINC000564250056 505362722 /nfs/dbraw/zinc/36/27/22/505362722.db2.gz AJIVQHDZWCGNEH-QZTJIDSGSA-N 2 0 363.546 3.381 20 0 FGADRP Cc1ccnc([C@@H](C)[NH2+]CCCN2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000552040326 505378486 /nfs/dbraw/zinc/37/84/86/505378486.db2.gz ZPIIRMVIEWAIKZ-HXUWFJFHSA-N 2 0 352.526 3.249 20 0 FGADRP C[N@@H+]1CC[C@H]([NH2+]CC2(N3CCSCC3)CCCCC2)[C@H]2CCC[C@@H]21 ZINC000552043959 505380445 /nfs/dbraw/zinc/38/04/45/505380445.db2.gz IERNONIFXQDNEQ-QYZOEREBSA-N 2 0 351.604 3.201 20 0 FGADRP COc1cccc(O[C@H](C)C[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000567159389 505380871 /nfs/dbraw/zinc/38/08/71/505380871.db2.gz UHTSFDWEIWBWJQ-QGCDCVKKSA-N 2 0 368.477 3.308 20 0 FGADRP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCN(Cc3c(F)cccc3F)C2)[C@H]2CCC[C@@H]21 ZINC000552244948 505439606 /nfs/dbraw/zinc/43/96/06/505439606.db2.gz OCVLGVUCIWIDAZ-RFZJPIJTSA-N 2 0 363.496 3.392 20 0 FGADRP CC(C)COC[C@H](O)C[NH2+][C@@H]1CCCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000552250876 505441631 /nfs/dbraw/zinc/44/16/31/505441631.db2.gz DHWGHFHNDAPSNQ-WBADGQHESA-N 2 0 374.569 3.300 20 0 FGADRP CC(C)[NH+]1CCN([C@H]2CC[N@H+](CCc3ccc(F)cc3Cl)C2)CC1 ZINC000564529433 505443182 /nfs/dbraw/zinc/44/31/82/505443182.db2.gz PKISDSKPRSEDJD-SFHVURJKSA-N 2 0 353.913 3.122 20 0 FGADRP C[N@@H+]1CC[C@H]([NH2+]Cc2cc(Br)cc3c2OCC3)[C@@H]2CCC[C@H]21 ZINC000552285707 505450922 /nfs/dbraw/zinc/45/09/22/505450922.db2.gz ZKFTWURATKVPPT-YESZJQIVSA-N 2 0 365.315 3.346 20 0 FGADRP [NH3+]C[C@H](NC(=O)NCC1CC[NH+](C2CC2)CC1)c1ccc2ccccc2c1 ZINC000564553565 505451554 /nfs/dbraw/zinc/45/15/54/505451554.db2.gz VMYKSJLEQJKPHS-NRFANRHFSA-N 2 0 366.509 3.013 20 0 FGADRP COc1ccc(-n2ccc(C[NH2+]C3CCN(c4cc[nH+]cc4)CC3)n2)cc1 ZINC000567566074 505500421 /nfs/dbraw/zinc/50/04/21/505500421.db2.gz SUDKVWPYFFCGKU-UHFFFAOYSA-N 2 0 363.465 3.035 20 0 FGADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)NCc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000567608922 505512973 /nfs/dbraw/zinc/51/29/73/505512973.db2.gz URWIDIHDQSROQN-RTWAWAEBSA-N 2 0 357.542 3.455 20 0 FGADRP C[NH+](C)C[C@@H](NC(=O)NCC1([NH+](C)C)CCCC1)c1ccc(Cl)cc1 ZINC000558883385 505520012 /nfs/dbraw/zinc/52/00/12/505520012.db2.gz LZUXKRAVAVWDKY-QGZVFWFLSA-N 2 0 366.937 3.116 20 0 FGADRP Cc1ccccc1[C@H]([C@H](C)NC(=O)NC[C@@H]1CC[N@@H+](C(C)C)C1)[NH+](C)C ZINC000562138645 505526943 /nfs/dbraw/zinc/52/69/43/505526943.db2.gz FFWMZPJBPZWXKP-BJLQDIEVSA-N 2 0 360.546 3.016 20 0 FGADRP CCCC[NH+]1CCC([NH2+]C[C@H](O)COc2cccc(C(F)(F)F)c2)CC1 ZINC000567692604 505538846 /nfs/dbraw/zinc/53/88/46/505538846.db2.gz YEXDUNFPBNMDMX-KRWDZBQOSA-N 2 0 374.447 3.299 20 0 FGADRP CCC[N@H+](CC)C[C@@H](C)NC(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000562237975 505547812 /nfs/dbraw/zinc/54/78/12/505547812.db2.gz UVLSNDGEVIJROR-LJQANCHMSA-N 2 0 374.573 3.113 20 0 FGADRP CC(C)[C@@H](NC(=O)c1cnn(-c2ccncc2)c1C(F)F)c1ncc[nH]1 ZINC000559040637 505555539 /nfs/dbraw/zinc/55/55/39/505555539.db2.gz ABZJJSCVUPNCML-CYBMUJFWSA-N 2 0 360.368 3.055 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)Nc1cccc2c1CC[NH2+]C2)c1ccco1 ZINC000582773883 506413252 /nfs/dbraw/zinc/41/32/52/506413252.db2.gz PWYPORNWVUVERS-GOSISDBHSA-N 2 0 356.470 3.130 20 0 FGADRP CC[C@H](C)[N@H+](C)CCNC(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000589208509 506484897 /nfs/dbraw/zinc/48/48/97/506484897.db2.gz AQNXATKEUJAHMY-IBGZPJMESA-N 2 0 374.573 3.448 20 0 FGADRP CCOC(=O)C1([C@@H](C)[NH2+][C@H](c2ccccc2F)C(C)C)CC[NH2+]CC1 ZINC000596647930 506508373 /nfs/dbraw/zinc/50/83/73/506508373.db2.gz CZSYOOKDQWICPS-QAPCUYQASA-N 2 0 350.478 3.434 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N1CCC[C@H]([NH+]2CCCC2)C1)CC(C)C ZINC000612338013 506534403 /nfs/dbraw/zinc/53/44/03/506534403.db2.gz UXTQXFKQONYJEA-OALUTQOASA-N 2 0 352.567 3.013 20 0 FGADRP CCC(CC)[C@H](CNC(=O)N1CC[NH+](C2CCCC2)CC1)[NH+]1CCCC1 ZINC000612338825 506534784 /nfs/dbraw/zinc/53/47/84/506534784.db2.gz OVHVRFQCMBEGKX-FQEVSTJZSA-N 2 0 364.578 3.157 20 0 FGADRP COC(=O)c1cc2c(o1)c(OC)ccc2C[NH2+]Cc1ccc(C[NH3+])cc1F ZINC000593319820 506536831 /nfs/dbraw/zinc/53/68/31/506536831.db2.gz YOVXPCDHAZNHCG-UHFFFAOYSA-N 2 0 372.396 3.116 20 0 FGADRP COc1cccc2c1OCC[C@@H]2[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000603518933 506541756 /nfs/dbraw/zinc/54/17/56/506541756.db2.gz QYQQOGNUBSTOLV-IBGZPJMESA-N 2 0 356.466 3.249 20 0 FGADRP C[NH+](C)CCCOc1ccc(NC(=O)NCCC[NH+]2CCCCC2)cc1 ZINC000593500844 506655540 /nfs/dbraw/zinc/65/55/40/506655540.db2.gz AZRDCFOUJWXYCU-UHFFFAOYSA-N 2 0 362.518 3.015 20 0 FGADRP C[C@@H](CNC(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1)[NH+]1CCC(C)CC1 ZINC000604112286 506718358 /nfs/dbraw/zinc/71/83/58/506718358.db2.gz SMQCXFBCEHBARD-PZJWPPBQSA-N 2 0 372.557 3.071 20 0 FGADRP CN1CCC([N@@H+]2CC[C@H](NC(=O)Nc3cc(Cl)cc(Cl)c3)C2)CC1 ZINC000604208151 506752468 /nfs/dbraw/zinc/75/24/68/506752468.db2.gz HJDLLSXDCDDOGL-AWEZNQCLSA-N 2 0 371.312 3.283 20 0 FGADRP CC[C@@H](C)[N@H+](C)CCNC(=O)[C@@H](C)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000600092937 506772842 /nfs/dbraw/zinc/77/28/42/506772842.db2.gz SGXDGJYPJCYSOD-RTBURBONSA-N 2 0 359.558 3.176 20 0 FGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000583491480 506808337 /nfs/dbraw/zinc/80/83/37/506808337.db2.gz YWSKTVTVJDTPMV-FYYLOGMGSA-N 2 0 369.553 3.374 20 0 FGADRP CCc1ccc([C@@H](CNC(=O)N[C@H]2CC23CC[NH2+]CC3)[NH+](CC)CC)cc1 ZINC000612981863 506849239 /nfs/dbraw/zinc/84/92/39/506849239.db2.gz GFVXKOYYQRHBIU-UXHICEINSA-N 2 0 372.557 3.073 20 0 FGADRP C[NH+](C)CC[C@H](NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1)C(C)(C)C ZINC000604727782 506920227 /nfs/dbraw/zinc/92/02/27/506920227.db2.gz KMNNISKDQATGCJ-UXHICEINSA-N 2 0 359.558 3.381 20 0 FGADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000594099583 506938795 /nfs/dbraw/zinc/93/87/95/506938795.db2.gz INGDZCBMYMBNNV-OAQYLSRUSA-N 2 0 372.557 3.297 20 0 FGADRP C[NH+](C)CC[C@@H](NC(=O)NC[C@@H](C1CCCCC1)[NH+](C)C)C(C)(C)C ZINC000604784368 506940848 /nfs/dbraw/zinc/94/08/48/506940848.db2.gz ZYGKQMNHZXLBKF-ZWKOTPCHSA-N 2 0 354.583 3.163 20 0 FGADRP Cc1cccn2cc(COc3ccc(C[NH2+][C@@H](C)C[C@@H](C)[NH3+])cc3)nc12 ZINC000583752955 506953395 /nfs/dbraw/zinc/95/33/95/506953395.db2.gz IWIGCGFGOVPCCV-SJORKVTESA-N 2 0 352.482 3.437 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cc2c(ccc(C)c2C)[nH]1 ZINC000604863987 506968344 /nfs/dbraw/zinc/96/83/44/506968344.db2.gz RBXKLRHVNJVNTJ-SFHVURJKSA-N 2 0 370.541 3.273 20 0 FGADRP C[NH+](C)CCCOc1ccc(NC(=O)N2CC[C@H]([NH+]3CCCCC3)C2)cc1 ZINC000594262169 507049108 /nfs/dbraw/zinc/04/91/08/507049108.db2.gz MQULUNKKPCWDBH-IBGZPJMESA-N 2 0 374.529 3.109 20 0 FGADRP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)NCc2ccccc2C[N@@H+]2CCC[C@@H](C)C2)C1 ZINC000583920678 507050594 /nfs/dbraw/zinc/05/05/94/507050594.db2.gz XNUZMVHHNUEFTQ-WSTZPKSXSA-N 2 0 372.557 3.187 20 0 FGADRP C[C@H]([NH2+][C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)c1ccc(F)c2ccccc21 ZINC000584047503 507121764 /nfs/dbraw/zinc/12/17/64/507121764.db2.gz JICWCKYKUGFCHV-OTPBECDQSA-N 2 0 369.484 3.276 20 0 FGADRP COc1cc(C)c([C@@H](C)[NH2+]Cc2ccncc2OCC[NH+](C)C)cc1OC ZINC000584076621 507138572 /nfs/dbraw/zinc/13/85/72/507138572.db2.gz HDKUFSYLQGMINX-MRXNPFEDSA-N 2 0 373.497 3.198 20 0 FGADRP C[C@@H]1CN(Cc2ccccc2)CCN1C(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000600831713 507141782 /nfs/dbraw/zinc/14/17/82/507141782.db2.gz AJNHYPRJCLZXFF-LJQANCHMSA-N 2 0 372.557 3.167 20 0 FGADRP CC[C@H](C[NH+]1CCCC1)NC(=O)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000605374242 507164233 /nfs/dbraw/zinc/16/42/33/507164233.db2.gz SQXAHKKCIFZTBS-AZUAARDMSA-N 2 0 361.505 3.028 20 0 FGADRP C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000605403251 507177265 /nfs/dbraw/zinc/17/72/65/507177265.db2.gz BZOUCFQSEMZVNW-KZNAEPCWSA-N 2 0 366.509 3.343 20 0 FGADRP C[C@H](C(=O)N[C@@H](C)C1CC[NH+](C)CC1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000601045987 507240959 /nfs/dbraw/zinc/24/09/59/507240959.db2.gz ZAHJGPSWJLOCOA-RBUKOAKNSA-N 2 0 371.569 3.176 20 0 FGADRP C[C@H](CNC(=O)c1ccccc1OCC[N@@H+]1CCCC[C@H]1C)[NH+](C)C1CC1 ZINC000591456242 507256538 /nfs/dbraw/zinc/25/65/38/507256538.db2.gz HFAOZPCVWRWKQF-QZTJIDSGSA-N 2 0 373.541 3.152 20 0 FGADRP COc1cc(C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)ccc1OCC(F)(F)F ZINC000584291297 507261731 /nfs/dbraw/zinc/26/17/31/507261731.db2.gz KDZIBZDODWKSCI-INIZCTEOSA-N 2 0 372.431 3.458 20 0 FGADRP COc1cc(C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)ccc1OCC(F)(F)F ZINC000584291298 507262276 /nfs/dbraw/zinc/26/22/76/507262276.db2.gz KDZIBZDODWKSCI-MRXNPFEDSA-N 2 0 372.431 3.458 20 0 FGADRP CSC1(C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3C)CC2)CC[NH+](C)CC1 ZINC000584380633 507311557 /nfs/dbraw/zinc/31/15/57/507311557.db2.gz MELCBCFPJQHGKF-PKOBYXMFSA-N 3 0 353.620 3.447 20 0 FGADRP Ic1ccc(CC[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000594993440 507344842 /nfs/dbraw/zinc/34/48/42/507344842.db2.gz GJYIBLVTSSZGTK-HZPDHXFCSA-N 2 0 370.278 3.050 20 0 FGADRP CC(C)[NH+]1CCC([NH2+]CCc2ccc(I)cc2)CC1 ZINC000595093553 507388673 /nfs/dbraw/zinc/38/86/73/507388673.db2.gz BXBXTRSSMKXPQW-UHFFFAOYSA-N 2 0 372.294 3.296 20 0 FGADRP CSC1(C[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CC[NH+](C)CC1 ZINC000584559563 507410007 /nfs/dbraw/zinc/41/00/07/507410007.db2.gz WUCYGKZMVCHUOG-PCCBWWKXSA-N 3 0 373.610 3.314 20 0 FGADRP CC1CC[NH+](CCCCNC(=O)N2CCC[N@@H+](C3CCCC3)CC2)CC1 ZINC000606640228 507463057 /nfs/dbraw/zinc/46/30/57/507463057.db2.gz NMWRGSKWCZCLRJ-UHFFFAOYSA-N 2 0 364.578 3.158 20 0 FGADRP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)N1CCC[NH+](C2CCCC2)CC1 ZINC000606640406 507463367 /nfs/dbraw/zinc/46/33/67/507463367.db2.gz XVNFQAZEKNRLRP-IBGZPJMESA-N 2 0 364.578 3.301 20 0 FGADRP C[C@@H](NC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000606660223 507472215 /nfs/dbraw/zinc/47/22/15/507472215.db2.gz YEPXZIVGPJFHGM-NQIIRXRSSA-N 2 0 372.557 3.071 20 0 FGADRP C[C@H](NC(=O)NC[C@@H]1CCC[N@@H+]1CC1CCCCC1)C1CC[NH+](C)CC1 ZINC000606684806 507479279 /nfs/dbraw/zinc/47/92/79/507479279.db2.gz OKFOFKLBMVPMGH-PXNSSMCTSA-N 2 0 364.578 3.061 20 0 FGADRP CC[NH+]1CCC(CC[NH2+]C[C@H](O)CO[C@H]2CCCc3ccccc32)CC1 ZINC000584834346 507531033 /nfs/dbraw/zinc/53/10/33/507531033.db2.gz JZGSMPACEQOIQU-UNMCSNQZSA-N 2 0 360.542 3.153 20 0 FGADRP CCCN(CC[NH+]1CCCC1)C(=O)c1ccc2[nH]c3c(c2c1)CN(C)CC3 ZINC000614716124 507631854 /nfs/dbraw/zinc/63/18/54/507631854.db2.gz HFBVTHYOXABNNK-UHFFFAOYSA-N 2 0 368.525 3.104 20 0 FGADRP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)[C@@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000614726069 507636877 /nfs/dbraw/zinc/63/68/77/507636877.db2.gz WHKRLBQUGSNOLT-FCEUIQTBSA-N 2 0 369.553 3.026 20 0 FGADRP C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)NCCC[NH+]1CCCCC1 ZINC000607227762 507659169 /nfs/dbraw/zinc/65/91/69/507659169.db2.gz NIHCVAGVAMLUDW-FQEVSTJZSA-N 2 0 372.557 3.168 20 0 FGADRP C[C@H](C[NH+]1CCCCC1)NC(=O)N1CCC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000607231426 507662572 /nfs/dbraw/zinc/66/25/72/507662572.db2.gz RXGLVBMWJRBLCR-UXHICEINSA-N 2 0 372.557 3.167 20 0 FGADRP COC(=O)c1csc(-c2cccc(C[NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@H]4C3)c2)n1 ZINC000592470842 507670552 /nfs/dbraw/zinc/67/05/52/507670552.db2.gz MCAUUOFGGKKGEL-GVDBMIGSSA-N 2 0 371.506 3.074 20 0 FGADRP c1ccc(C[N@H+]2C[C@@H]3CCCC[C@H]([NH2+]CCNc4cnccn4)[C@H]3C2)cc1 ZINC000513662393 516708573 /nfs/dbraw/zinc/70/85/73/516708573.db2.gz VDCFAZCNGKFTBE-ACRUOGEOSA-N 2 0 365.525 3.169 20 0 FGADRP CC[C@@H]1CN(C(=O)NCc2ccc(C[NH+]3CCC(C)CC3)cc2)CC[C@H]1[NH3+] ZINC000669115327 567997457 /nfs/dbraw/zinc/99/74/57/567997457.db2.gz MCPBLLWIGBUDQX-NHCUHLMSSA-N 2 0 372.557 3.187 20 0 FGADRP C[NH+](C)C1CCC(NC(=O)NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000643228247 568026830 /nfs/dbraw/zinc/02/68/30/568026830.db2.gz XNEYHUTXWDIVIA-QNGMFEMESA-N 2 0 372.557 3.071 20 0 FGADRP CC(C)[N@H+](C)Cc1cccc(C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)c1 ZINC000820112330 606412557 /nfs/dbraw/zinc/41/25/57/606412557.db2.gz RLNXEHQKBBJODF-UHFFFAOYSA-N 2 0 356.499 3.058 20 0 FGADRP Fc1ccc(C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)cc1-c1nn[nH]n1 ZINC000822766355 606964245 /nfs/dbraw/zinc/96/42/45/606964245.db2.gz IBRUPEVXVWEKDB-UHFFFAOYSA-N 2 0 372.492 3.094 20 0 FGADRP C[C@@H]1C[C@H]([NH2+]Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)CC[N@@H+]1C ZINC000824894560 608362527 /nfs/dbraw/zinc/36/25/27/608362527.db2.gz YSWBLWYELVFXLT-CRAIPNDOSA-N 2 0 362.481 3.106 20 0 FGADRP Fc1c(C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)cccc1-c1nn[nH]n1 ZINC000826370894 608386874 /nfs/dbraw/zinc/38/68/74/608386874.db2.gz KWTWQCRQLIZDGK-UHFFFAOYSA-N 2 0 372.492 3.094 20 0 FGADRP c1cc2c(cc1-c1nn[nH]n1)CCC[C@H]2[NH2+]CCCCC[NH+]1CCCCC1 ZINC000826518086 608511572 /nfs/dbraw/zinc/51/15/72/608511572.db2.gz BGVICHARBJZEKT-HXUWFJFHSA-N 2 0 368.529 3.490 20 0 FGADRP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824948690 609133568 /nfs/dbraw/zinc/13/35/68/609133568.db2.gz UYJGLIFVQCKIIZ-CABCVRRESA-N 2 0 360.481 3.169 20 0 FGADRP C[N@H+](CC(=O)Nc1ccc(Br)cc1Cl)C1CCC([NH3+])CC1 ZINC000098002019 700464307 /nfs/dbraw/zinc/46/43/07/700464307.db2.gz FAIXGVBOSSCRRF-UHFFFAOYSA-N 2 0 374.710 3.243 20 0 FGADRP C[NH+](C)CCCCCCCNC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000107840269 700520480 /nfs/dbraw/zinc/52/04/80/700520480.db2.gz GVDHQXOJAYHUCH-IBGZPJMESA-N 2 0 352.567 3.158 20 0 FGADRP CCN(CC1CC[NH+](CC[C@@H]2CCC[N@@H+]2C)CC1)C(=O)OC(C)(C)C ZINC000124827383 700725407 /nfs/dbraw/zinc/72/54/07/700725407.db2.gz PVMRHUCXSDSFLK-SFHVURJKSA-N 2 0 353.551 3.440 20 0 FGADRP C[C@@H]([NH2+]C[C@@H](O)COc1cccc(Cl)c1Cl)C1CC[NH+](C)CC1 ZINC000154294044 705029762 /nfs/dbraw/zinc/02/97/62/705029762.db2.gz IDZLAWPWKLPZRH-TZMCWYRMSA-N 2 0 361.313 3.053 20 0 FGADRP C[N@H+](CC[C@@H]1CCCC[NH+]1C)CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000173955362 705479469 /nfs/dbraw/zinc/47/94/69/705479469.db2.gz LEDCYBWXUKNQSC-SFHVURJKSA-N 2 0 353.551 3.440 20 0 FGADRP CCN1CC[NH+](CCCC[NH2+][C@H]2CCSc3c(F)cccc32)CC1 ZINC000178005365 705650304 /nfs/dbraw/zinc/65/03/04/705650304.db2.gz IWEQLANQWVMBNK-SFHVURJKSA-N 2 0 351.535 3.370 20 0 FGADRP C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000414926575 714005857 /nfs/dbraw/zinc/00/58/57/714005857.db2.gz NNQLHWUAIQETRH-ZLDLUXBVSA-N 2 0 354.292 3.026 20 0 FGADRP Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)CC[C@@H]1CCC[NH2+]C1 ZINC000621643614 715014092 /nfs/dbraw/zinc/01/40/92/715014092.db2.gz IYJDKLCWBAUUBU-KRWDZBQOSA-N 2 0 361.555 3.262 20 0 FGADRP C[C@@H](Cc1ccc(F)cc1Cl)[NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000643346242 718025818 /nfs/dbraw/zinc/02/58/18/718025818.db2.gz UYGSVVAOSKSDGQ-WMLDXEAASA-N 2 0 353.913 3.168 20 0 FGADRP Brc1ccc([C@H]([NH2+]C[C@H]2CCC[NH2+]C2)[C@@H]2CCCO2)cc1 ZINC000643500785 718037009 /nfs/dbraw/zinc/03/70/09/718037009.db2.gz INDYOUNTBDPUEY-JQFCIGGWSA-N 2 0 353.304 3.258 20 0 FGADRP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCN(c3ccccc3OC(F)F)C2)CC1(C)C ZINC000623422996 715333087 /nfs/dbraw/zinc/33/30/87/715333087.db2.gz PFTBWVQDOKVHBP-LSDHHAIUSA-N 2 0 353.457 3.329 20 0 FGADRP C[C@@H]1C[NH+](CCCC[NH2+]Cc2ccc(F)c(F)c2N(C)C)C[C@@H](C)O1 ZINC000623425052 715333610 /nfs/dbraw/zinc/33/36/10/715333610.db2.gz OZMDCNLCNIXAEP-HUUCEWRRSA-N 2 0 355.473 3.010 20 0 FGADRP Cc1ccc(Br)cc1[C@H](C)[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000623860152 715416838 /nfs/dbraw/zinc/41/68/38/715416838.db2.gz KQNFFIGBXXNUCZ-HNNXBMFYSA-N 2 0 368.363 3.434 20 0 FGADRP Cc1ccc(Br)cc1[C@H](C)[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000623859336 715416871 /nfs/dbraw/zinc/41/68/71/715416871.db2.gz KEYNNPRJCFACPO-HNNXBMFYSA-N 2 0 368.363 3.434 20 0 FGADRP O[C@H](C[NH2+][C@H]1CCCC[C@H]1Sc1ccc(F)cc1)C[NH+]1CCCC1 ZINC000623872080 715420511 /nfs/dbraw/zinc/42/05/11/715420511.db2.gz VFTCGANELKEFAW-NZSAHSFTSA-N 2 0 352.519 3.275 20 0 FGADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H]1CCCc2c3cc(Cl)ccc3[nH]c21 ZINC000623889918 715425481 /nfs/dbraw/zinc/42/54/81/715425481.db2.gz ZMPOLKIJMZLKGG-AUUYWEPGSA-N 2 0 360.933 3.424 20 0 FGADRP CC(C)(C)[NH+]1CCC([NH2+]C[C@@H]2CN(c3ccc(Cl)cc3)CCO2)CC1 ZINC000624118283 715475521 /nfs/dbraw/zinc/47/55/21/715475521.db2.gz DHROZYMGRFAIJS-LJQANCHMSA-N 2 0 365.949 3.398 20 0 FGADRP C[N@H+](CCCCNC(=O)[C@@H]1CCCN1Cc1ccc(Cl)cc1)C1CC1 ZINC000627704506 716057260 /nfs/dbraw/zinc/05/72/60/716057260.db2.gz WNAZNVLCRLNQMT-IBGZPJMESA-N 2 0 363.933 3.295 20 0 FGADRP C[C@]1(C[NH+]2CCN([C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)CCCS1 ZINC000628272120 716133303 /nfs/dbraw/zinc/13/33/03/716133303.db2.gz DRXXXVFWIZSJSX-NHCUHLMSSA-N 2 0 359.583 3.164 20 0 FGADRP [NH3+]C[C@H]1CN(CCOc2ccc(F)cc2Cl)CC[C@H]1C(F)(F)F ZINC000629559531 716306740 /nfs/dbraw/zinc/30/67/40/716306740.db2.gz BGYDHUJTRQGTDC-CMPLNLGQSA-N 2 0 354.775 3.317 20 0 FGADRP C[N@H+](CCOCC[NH3+])Cc1c(-c2ccc(Cl)cc2)nc2sccn12 ZINC000629580687 716310763 /nfs/dbraw/zinc/31/07/63/716310763.db2.gz DMONLXFIHLEUIR-UHFFFAOYSA-N 2 0 364.902 3.123 20 0 FGADRP O[C@@H](C[NH2+]C[C@@H]1CCN1C1CCCCC1)COc1ccccc1Cl ZINC000629609147 716321681 /nfs/dbraw/zinc/32/16/81/716321681.db2.gz WUYOTANXHZEVCN-IRXDYDNUSA-N 2 0 352.906 3.076 20 0 FGADRP COc1cc([C@H](C)Nc2cc(N3CC[NH2+]CC3)cc[nH+]2)ccc1SC ZINC000635006948 717139383 /nfs/dbraw/zinc/13/93/83/717139383.db2.gz CRSNDIURPQQYBS-AWEZNQCLSA-N 2 0 358.511 3.395 20 0 FGADRP c1cc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)cc(N2CCSCC2)n1 ZINC000635009945 717139605 /nfs/dbraw/zinc/13/96/05/717139605.db2.gz PFKADRSEOSMRLS-IPMKNSEASA-N 2 0 360.571 3.035 20 0 FGADRP CC(C)[NH2+]CCCNC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000637469114 717331738 /nfs/dbraw/zinc/33/17/38/717331738.db2.gz NDFDPFAVCZMZIV-GOSISDBHSA-N 2 0 366.937 3.164 20 0 FGADRP CC[NH+](CC)CCC[C@H](C)NC(=O)[C@@H]([NH3+])c1ccc(C(F)(F)F)cc1 ZINC000638047998 717403843 /nfs/dbraw/zinc/40/38/43/717403843.db2.gz LWQKGGGFCKFAAY-BBRMVZONSA-N 2 0 359.436 3.332 20 0 FGADRP CC(C)(O)C[NH+]1CCC([NH2+][C@@H]2CCc3c2cccc3Br)CC1 ZINC000638580096 717467418 /nfs/dbraw/zinc/46/74/18/717467418.db2.gz CAVJOILTYODMJU-QGZVFWFLSA-N 2 0 367.331 3.261 20 0 FGADRP C[NH+](C)C[C@H](NC(=O)CC1CC[NH2+]CC1)c1ccc(Cl)c(Cl)c1 ZINC000638665035 717473977 /nfs/dbraw/zinc/47/39/77/717473977.db2.gz YDYQMGIPZZXYIL-INIZCTEOSA-N 2 0 358.313 3.102 20 0 FGADRP CCC1([NH+](C)C)CCN(C(=O)[C@@H]([NH3+])c2ccc(C(F)(F)F)cc2)CC1 ZINC000638979398 717503743 /nfs/dbraw/zinc/50/37/43/717503743.db2.gz CVHXVCNQBQECGE-HNNXBMFYSA-N 2 0 357.420 3.038 20 0 FGADRP C[C@@H](OC[C@@H](O)C[N@@H+]1CCC2(C1)CC[NH+](C)CC2)c1ccc(Cl)cc1 ZINC000639759798 717599039 /nfs/dbraw/zinc/59/90/39/717599039.db2.gz JWLRXZDDVAMEPZ-APWZRJJASA-N 2 0 366.933 3.196 20 0 FGADRP C[NH+](C)Cc1cc(C[NH2+]C[C@H](O)COc2ccc(Cl)cc2)ccc1F ZINC000644568667 718126874 /nfs/dbraw/zinc/12/68/74/718126874.db2.gz OBLBUVNJGOPPOQ-KRWDZBQOSA-N 2 0 366.864 3.070 20 0 FGADRP O[C@H](C[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)CC(F)(F)F ZINC000644619335 718134428 /nfs/dbraw/zinc/13/44/28/718134428.db2.gz CZPOCBFPPYSQJZ-VSZNYVQBSA-N 2 0 356.432 3.190 20 0 FGADRP CCCN(C(=O)NC[C@H](c1ccsc1)[NH+](CC)CC)[C@H]1CC[N@H+](C)C1 ZINC000645159434 718188271 /nfs/dbraw/zinc/18/82/71/718188271.db2.gz ALONTSRWORKSLT-ZWKOTPCHSA-N 2 0 366.575 3.257 20 0 FGADRP C[N@H+](CCC[C@@H]1CCOC1)[C@H]1CCC[NH+](CCC[C@H]2CCOC2)CC1 ZINC000645839680 718245728 /nfs/dbraw/zinc/24/57/28/718245728.db2.gz XSLYWQBDBJCGRR-HKBOAZHASA-N 2 0 352.563 3.406 20 0 FGADRP CC[C@@H]1C[N@H+](Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)CC[C@@H]1[NH3+] ZINC000647497700 718364134 /nfs/dbraw/zinc/36/41/34/718364134.db2.gz RQFFLCWODHMLSM-ZBFHGGJFSA-N 2 0 352.404 3.450 20 0 FGADRP OC[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)c1ccc(Cl)cc1C(F)(F)F ZINC000647796482 718378232 /nfs/dbraw/zinc/37/82/32/718378232.db2.gz ATLGOSPJCZJBPA-NLZNIHBBSA-N 2 0 362.823 3.370 20 0 FGADRP O=C(CC[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1)Nc1cc(F)cc(F)c1 ZINC000647978033 718391690 /nfs/dbraw/zinc/39/16/90/718391690.db2.gz LLLDLGNLQCEKJA-LSDHHAIUSA-N 2 0 351.441 3.005 20 0 FGADRP C[C@@H]1[C@H](C(=O)Nc2cc(Cl)ccc2OC2CC[NH+](C)CC2)CC[N@@H+]1C ZINC000648924251 718459716 /nfs/dbraw/zinc/45/97/16/718459716.db2.gz GKJFEKFQGXCDAN-CZUORRHYSA-N 2 0 365.905 3.092 20 0 FGADRP C[C@H](c1nc2ccccc2s1)N1CC[NH+](CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000649414809 718512921 /nfs/dbraw/zinc/51/29/21/718512921.db2.gz ZAIGSLGZMWQSTL-SJORKVTESA-N 2 0 358.555 3.365 20 0 FGADRP CCC[N@@H+]1CC[C@H](CNC(=O)NCCC[NH+](CC)C2CCCCC2)C1 ZINC000650005811 718601863 /nfs/dbraw/zinc/60/18/63/718601863.db2.gz KMWXNCBOPACLEI-GOSISDBHSA-N 2 0 352.567 3.062 20 0 FGADRP Cc1cc(C[N@@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)ccc1Br ZINC000650708144 718717794 /nfs/dbraw/zinc/71/77/94/718717794.db2.gz UIKRAZRBOYEEEF-JZXOWHBKSA-N 2 0 367.331 3.476 20 0 FGADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@@H+]2Cc2cnc(-c3ccccn3)s2)C1 ZINC000650723167 718720683 /nfs/dbraw/zinc/72/06/83/718720683.db2.gz IETRBIBSCDKGNS-ZTFGCOKTSA-N 2 0 358.511 3.066 20 0 FGADRP FC(F)(F)[C@@H]1N(c2ncccc2C[NH+]2CCCC2)CCC12CC[NH2+]CC2 ZINC001164388576 718815817 /nfs/dbraw/zinc/81/58/17/718815817.db2.gz PYMHTYJSLIAZJQ-QGZVFWFLSA-N 2 0 368.447 3.188 20 0 FGADRP C[C@H]([NH3+])[C@@H]1CCN(C(=O)Nc2ccc(SCC[NH+]3CCCC3)cc2)C1 ZINC000652613062 718965963 /nfs/dbraw/zinc/96/59/63/718965963.db2.gz IYCMJCJLIFMNLK-JKSUJKDBSA-N 2 0 362.543 3.076 20 0 FGADRP C[N@@H+]1CC[C@@H](CNC(=O)C[C@@H]2CCC[C@H]2[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000653154454 719018426 /nfs/dbraw/zinc/01/84/26/719018426.db2.gz RZPSXRZHDUPRCP-PYNVLSHCSA-N 2 0 367.896 3.106 20 0 FGADRP c1ccc([C@H]2C[NH2+]C[C@]23CCN(c2ccc(C[NH+]4CCCC4)cn2)C3)cc1 ZINC001164623032 719047567 /nfs/dbraw/zinc/04/75/67/719047567.db2.gz LMRHSSLVHSEYHG-GGAORHGYSA-N 2 0 362.521 3.261 20 0 FGADRP CC1CC[NH+]([C@H](CNC(=O)[C@H]2C[C@@]23CCC[NH2+]C3)c2cccs2)CC1 ZINC000655442694 719293528 /nfs/dbraw/zinc/29/35/28/719293528.db2.gz VXJGJEPDIXHVRR-MBOZVWFJSA-N 2 0 361.555 3.027 20 0 FGADRP CC(C)C[C@@H]([NH3+])c1noc(-c2sc3c(c2Br)C[NH2+]C3)n1 ZINC000656559974 719410214 /nfs/dbraw/zinc/41/02/14/719410214.db2.gz CPQKDQPYTGNWMH-MRVPVSSYSA-N 2 0 357.277 3.210 20 0 FGADRP CN(C)[C@@H](C[NH2+]Cc1ccnn1-c1cc[nH+]cc1)c1ccccc1Cl ZINC000657290988 719618832 /nfs/dbraw/zinc/61/88/32/719618832.db2.gz XJSWVPVXYRLFIF-IBGZPJMESA-N 2 0 355.873 3.313 20 0 FGADRP C[C@@H]1C[N@@H+](CCCC[NH2+]Cc2cc(F)ccc2OC(F)F)C[C@H](C)O1 ZINC000657368519 719634884 /nfs/dbraw/zinc/63/48/84/719634884.db2.gz XZWIWNJIPBPOQV-OKILXGFUSA-N 2 0 360.420 3.406 20 0 FGADRP COCc1csc(C[NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)c1 ZINC000657494024 719660550 /nfs/dbraw/zinc/66/05/50/719660550.db2.gz CHZYHTFEXMUVKV-UHFFFAOYSA-N 2 0 360.523 3.011 20 0 FGADRP Cn1ncc(Cl)c1CNC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000657773896 719710189 /nfs/dbraw/zinc/71/01/89/719710189.db2.gz VSAQLMDXJRJSPH-QGZVFWFLSA-N 2 0 358.917 3.465 20 0 FGADRP C[C@H]1C[NH+](Cc2ccc(C[NH2+]C3CC(CF)(CF)C3)cc2)C[C@H](C)O1 ZINC000657829312 719718036 /nfs/dbraw/zinc/71/80/36/719718036.db2.gz YCSRYIIUZKWXFS-HOTGVXAUSA-N 2 0 352.469 3.473 20 0 FGADRP CC[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+][C@@H](C)CN1CC[NH+](C)CC1 ZINC000657878872 719724847 /nfs/dbraw/zinc/72/48/47/719724847.db2.gz ITBQATFBSJUWFP-YJBOKZPZSA-N 2 0 357.464 3.252 20 0 FGADRP C([NH2+][C@H]1CCCC[C@@H]1[C@H]1CCOC1)C1CC[NH+](C2CCOCC2)CC1 ZINC000658071461 719751594 /nfs/dbraw/zinc/75/15/94/719751594.db2.gz XDJXXYXGFOZMRQ-TYPHKJRUSA-N 2 0 350.547 3.062 20 0 FGADRP COc1cc[nH+]c(N2CCC3(CCC[N@@H+]3Cc3csc(C)n3)CC2)c1 ZINC001164691704 719804101 /nfs/dbraw/zinc/80/41/01/719804101.db2.gz IZKKVJYJKBTNNU-UHFFFAOYSA-N 2 0 358.511 3.490 20 0 FGADRP CO[C@@H](C[NH+]1CCN(C2CC[NH+](C(C)C)CC2)CC1)C1CCCCC1 ZINC000660108169 719990342 /nfs/dbraw/zinc/99/03/42/719990342.db2.gz VIVKDWOOCHIJRP-NRFANRHFSA-N 2 0 351.579 3.072 20 0 FGADRP C[C@H]1CN(CCSc2ccc(F)cc2F)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000660155205 719998482 /nfs/dbraw/zinc/99/84/82/719998482.db2.gz MMYHILCRGXOSGZ-MAUKXSAKSA-N 2 0 369.525 3.015 20 0 FGADRP CC[N@H+](CCC1CC[NH+](CCN2C[C@@H](C)O[C@@H](C)C2)CC1)CC(C)C ZINC000660170091 720001016 /nfs/dbraw/zinc/00/10/16/720001016.db2.gz DMCLTGJBPVSEOY-BGYRXZFFSA-N 2 0 353.595 3.176 20 0 FGADRP C[N@@H+]1CC[C@]2(C1)CCC[NH+](C[C@H](O)Cc1ccccc1C(F)(F)F)C2 ZINC000660659896 720094673 /nfs/dbraw/zinc/09/46/73/720094673.db2.gz SARWNMQYLJTMSV-AEFFLSMTSA-N 2 0 356.432 3.027 20 0 FGADRP C[NH+](C)[C@H](CNC(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C)c1ccc(Cl)cc1 ZINC000661404269 720242976 /nfs/dbraw/zinc/24/29/76/720242976.db2.gz VZSIHZBZVOVMLG-DLBZAZTESA-N 2 0 366.937 3.115 20 0 FGADRP [NH3+][C@@H]1CCO[C@H](C2CC[NH+](CCSc3ccc(F)cc3F)CC2)C1 ZINC000662280915 720409069 /nfs/dbraw/zinc/40/90/69/720409069.db2.gz HIZDPIATCLMMFH-WBVHZDCISA-N 2 0 356.482 3.275 20 0 FGADRP C[C@@H](NC(=O)C[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1)c1ccccc1Cl ZINC000662290340 720410359 /nfs/dbraw/zinc/41/03/59/720410359.db2.gz CMDLXNNWXVAWKF-NVXWUHKLSA-N 2 0 363.933 3.229 20 0 FGADRP CSc1cccc(NC(=O)[C@H](C)[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)c1 ZINC000662290515 720410678 /nfs/dbraw/zinc/41/06/78/720410678.db2.gz FOAYJZNGJLQNOT-DOTOQJQBSA-N 2 0 361.555 3.447 20 0 FGADRP C[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(C(F)(F)F)cc2)[C@@H]1CCC[NH3+] ZINC000662313726 720414007 /nfs/dbraw/zinc/41/40/07/720414007.db2.gz YQADYNRQLPVMHP-CZUORRHYSA-N 2 0 357.420 3.483 20 0 FGADRP C[C@@H]1CCC[N@H+](CC(=O)Nc2cccc(C(F)(F)F)c2)[C@@H]1CCC[NH3+] ZINC000662312965 720414026 /nfs/dbraw/zinc/41/40/26/720414026.db2.gz CMDUMZFSJRNVTL-CZUORRHYSA-N 2 0 357.420 3.483 20 0 FGADRP O=C(C[C@H]1[NH2+]Cc2ccccc21)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000662347173 720417562 /nfs/dbraw/zinc/41/75/62/720417562.db2.gz CYQNMIAUQGPZKK-MSOLQXFVSA-N 2 0 355.507 3.236 20 0 FGADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)c1cc2c(s1)CC[NH2+]C2 ZINC000662386066 720423691 /nfs/dbraw/zinc/42/36/91/720423691.db2.gz RDGHDRXKDZQXNS-UHFFFAOYSA-N 2 0 357.523 3.164 20 0 FGADRP O=C(Nc1ccc(CC[NH+]2CCCC2)cc1)c1cc2c(s1)CC[NH2+]C2 ZINC000662527096 720438523 /nfs/dbraw/zinc/43/85/23/720438523.db2.gz PMJVJQWPAHXCFI-UHFFFAOYSA-N 2 0 355.507 3.284 20 0 FGADRP CC[NH+](CC)CCCN(Cc1ccc(Cl)cc1)C(=O)C1CC[NH2+]CC1 ZINC000662654175 720450018 /nfs/dbraw/zinc/45/00/18/720450018.db2.gz BWGZFWSKRVQPLY-UHFFFAOYSA-N 2 0 365.949 3.400 20 0 FGADRP CC(C)[C@H]([NH3+])CC[NH2+]Cc1cc(Br)c2c(c1)OCCCO2 ZINC000663497835 720520005 /nfs/dbraw/zinc/52/00/05/720520005.db2.gz HCBJXBCZTLHPGQ-CQSZACIVSA-N 2 0 357.292 3.073 20 0 FGADRP COc1cc[nH+]c(N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)c1 ZINC001164842476 720662522 /nfs/dbraw/zinc/66/25/22/720662522.db2.gz RRBFBCOTJFFGGI-LJQANCHMSA-N 2 0 367.493 3.350 20 0 FGADRP Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@H]2[NH2+]CC[C@@H]([NH3+])C(C)C)cc1 ZINC000665282172 720750159 /nfs/dbraw/zinc/75/01/59/720750159.db2.gz SGJNNKBJFIPTLJ-GUDVDZBRSA-N 2 0 352.544 3.043 20 0 FGADRP CCSc1ccc([C@H](C)[NH2+]C2CCN(C(=O)CCC[NH2+]C)CC2)cc1 ZINC000665287337 720750175 /nfs/dbraw/zinc/75/01/75/720750175.db2.gz IOHOYKFSXQBTAL-INIZCTEOSA-N 2 0 363.571 3.440 20 0 FGADRP CC[C@H]([NH2+]C1CCN(C(=O)CCC[NH2+]C)CC1)c1ccc(Cl)cc1 ZINC000665285188 720750234 /nfs/dbraw/zinc/75/02/34/720750234.db2.gz GDYHDNRRBVOIGH-SFHVURJKSA-N 2 0 351.922 3.371 20 0 FGADRP C[NH+](C)C[C@H](NC(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1)c1ccc(Cl)cc1 ZINC000665554067 720785052 /nfs/dbraw/zinc/78/50/52/720785052.db2.gz FFMJEZXRDYNJCX-IRXDYDNUSA-N 2 0 366.937 3.115 20 0 FGADRP FC(F)Oc1ccc(Br)cc1C[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000666953500 721004932 /nfs/dbraw/zinc/00/49/32/721004932.db2.gz ADJSCTGBUQDDOM-ZDUSSCGKSA-N 2 0 361.230 3.282 20 0 FGADRP C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)Nc1cccc(C[NH3+])c1 ZINC000667729256 721165134 /nfs/dbraw/zinc/16/51/34/721165134.db2.gz ANIQRVVRCSMZMP-UHFFFAOYSA-N 2 0 360.889 3.394 20 0 FGADRP C[C@@H](NC(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1)C1CC[NH+](C)CC1 ZINC000667826124 721178823 /nfs/dbraw/zinc/17/88/23/721178823.db2.gz YNRSSOYNLGILKC-LLVKDONJSA-N 2 0 358.408 3.016 20 0 FGADRP COc1ccc(C[C@@H](C)C[N@@H+]2CCO[C@@H](CCC[NH+](C)C)C2)cc1F ZINC000668784548 721356644 /nfs/dbraw/zinc/35/66/44/721356644.db2.gz FHHIVDQFNJCQRO-AEFFLSMTSA-N 2 0 352.494 3.056 20 0 FGADRP C[C@H]([NH2+][C@@H](C)c1ccsc1)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000669937693 721503731 /nfs/dbraw/zinc/50/37/31/721503731.db2.gz OZWNBNXBILAZPZ-TXPKVOOTSA-N 2 0 357.523 3.178 20 0 FGADRP COc1cc(Br)ccc1C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000671761353 721612659 /nfs/dbraw/zinc/61/26/59/721612659.db2.gz XCYKEEKYHBJRCR-OAGGEKHMSA-N 2 0 353.304 3.420 20 0 FGADRP COc1cc(Br)ccc1C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000671761352 721612711 /nfs/dbraw/zinc/61/27/11/721612711.db2.gz XCYKEEKYHBJRCR-BZUAXINKSA-N 2 0 353.304 3.420 20 0 FGADRP C[NH+](C)CCOc1ccc(C[NH2+][C@@H](CCO)c2ccc(Cl)cc2)cc1 ZINC000673615682 721668102 /nfs/dbraw/zinc/66/81/02/721668102.db2.gz WKAHMIBBAXUOCP-FQEVSTJZSA-N 2 0 362.901 3.494 20 0 FGADRP C[NH+]1CCN(C(C)(C)C[NH2+][C@@H]2CCCOc3ccc(Cl)cc32)CC1 ZINC000675741423 721771613 /nfs/dbraw/zinc/77/16/13/721771613.db2.gz DYJNGSUEVRMZBG-QGZVFWFLSA-N 2 0 351.922 3.169 20 0 FGADRP C[NH+](C)CCCOc1cnccc1C[NH2+][C@@H]1Cc2ccc(Cl)cc2C1 ZINC000676064207 721784453 /nfs/dbraw/zinc/78/44/53/721784453.db2.gz KGTGJSQRPZRTGM-LJQANCHMSA-N 2 0 359.901 3.323 20 0 FGADRP Cc1nc([C@H](C)[NH2+]CC2CC[NH+](CC(=O)NC(C)(C)C)CC2)c(C)s1 ZINC000676491448 721809402 /nfs/dbraw/zinc/80/94/02/721809402.db2.gz CAALQMLFGNHCCB-ZDUSSCGKSA-N 2 0 366.575 3.037 20 0 FGADRP C[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCCC[NH+]2C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000677842941 721918874 /nfs/dbraw/zinc/91/88/74/721918874.db2.gz OLUSBPSTPITZJG-BMGDILEWSA-N 2 0 367.896 3.072 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+][C@H]1CCS(=O)(=O)c2ccc(F)cc21 ZINC000678806703 721980107 /nfs/dbraw/zinc/98/01/07/721980107.db2.gz QBRUJFKYJSQLII-QAPCUYQASA-N 2 0 368.518 3.288 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1ncc(C(C)(C)C)s1 ZINC000685456108 722385645 /nfs/dbraw/zinc/38/56/45/722385645.db2.gz QRBQRHBYFFRAOV-INIZCTEOSA-N 2 0 352.592 3.289 20 0 FGADRP C[C@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000700789126 722409917 /nfs/dbraw/zinc/40/99/17/722409917.db2.gz SZKMREOUBPMTTN-KSZLIROESA-N 2 0 353.551 3.486 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=S)Nc1cccc(Cl)c1 ZINC000751010593 722790538 /nfs/dbraw/zinc/79/05/38/722790538.db2.gz IWSCOKKJXTWVHU-KRWDZBQOSA-N 2 0 368.978 3.385 20 0 FGADRP CCc1cccc(NC(=S)N(CC[NH+](C)C)C[C@H]2CCC[N@H+]2CC)c1 ZINC000751010079 722790620 /nfs/dbraw/zinc/79/06/20/722790620.db2.gz HCCBNIWYXCRFKG-LJQANCHMSA-N 2 0 362.587 3.294 20 0 FGADRP C/C(=C\c1ccccc1Cl)C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000755902760 722958197 /nfs/dbraw/zinc/95/81/97/722958197.db2.gz IKEGVBHOQHKGDM-WUKNDPDISA-N 2 0 365.949 3.475 20 0 FGADRP CC[C@@H]1C[N@H+](CC[C@H]2CCCC[NH+]2C)CC[C@H]1NC(=O)OC(C)(C)C ZINC000757107194 722974700 /nfs/dbraw/zinc/97/47/00/722974700.db2.gz TZJKSYZRQHIOSH-KZNAEPCWSA-N 2 0 353.551 3.486 20 0 FGADRP O[C@H](C[NH+]1CCC(OCC[NH+]2CCCC2)CC1)c1ccc(Cl)c(F)c1 ZINC000759856305 723025507 /nfs/dbraw/zinc/02/55/07/723025507.db2.gz DRCLPKLISVZAGK-LJQANCHMSA-N 2 0 370.896 3.089 20 0 FGADRP C[C@H]([NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1)c1ccc(Cl)nc1 ZINC000760167067 723041224 /nfs/dbraw/zinc/04/12/24/723041224.db2.gz GULPLNAWFBEESF-AWEZNQCLSA-N 2 0 366.937 3.012 20 0 FGADRP CN(C[C@@H]1CCC[N@H+](CC[C@H]2CCCC[NH+]2C)C1)C(=O)OC(C)(C)C ZINC000760832275 723096275 /nfs/dbraw/zinc/09/62/75/723096275.db2.gz WXLIGPPMHBPHRW-ZWKOTPCHSA-N 2 0 353.551 3.440 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@H](O)c2ccc(Cl)cc2)[C@@H](C)C1 ZINC000764747353 723442144 /nfs/dbraw/zinc/44/21/44/723442144.db2.gz HJWIQEONDUBUMR-SNRMKQJTSA-N 2 0 354.922 3.100 20 0 FGADRP Cc1cc(CC(C)(C)[NH2+]C[C@H](O)C[NH+]2CCCC2)ccc1Br ZINC000795191345 723571469 /nfs/dbraw/zinc/57/14/69/723571469.db2.gz DJQKWBSQAMUUQF-INIZCTEOSA-N 2 0 369.347 3.125 20 0 FGADRP C[N@@H+]1CCC[C@H]1CC[NH+](C1CC1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000767426717 723618926 /nfs/dbraw/zinc/61/89/26/723618926.db2.gz LLAISSGKNHPTLB-INIZCTEOSA-N 2 0 351.535 3.335 20 0 FGADRP C[NH+]1CCC(CC[NH2+]C2CCC(CNC(=O)OC(C)(C)C)CC2)CC1 ZINC000796283489 723630097 /nfs/dbraw/zinc/63/00/97/723630097.db2.gz GZKGIHIWQGLJRI-UHFFFAOYSA-N 2 0 353.551 3.391 20 0 FGADRP C[NH+](C)CCCC1CC[NH+](C[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC000769498610 723687494 /nfs/dbraw/zinc/68/74/94/723687494.db2.gz MWSXMMKVLLFRBP-SFHVURJKSA-N 2 0 353.551 3.440 20 0 FGADRP Brc1ccoc1C[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000771896199 723744715 /nfs/dbraw/zinc/74/47/15/723744715.db2.gz LQLJKDQIACPYNY-UHFFFAOYSA-N 2 0 350.260 3.443 20 0 FGADRP C[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)Oc1cccc(Br)c1 ZINC000774208875 723869894 /nfs/dbraw/zinc/86/98/94/723869894.db2.gz KLUCVCIBARLANF-WWTUQBGBSA-N 2 0 353.304 3.431 20 0 FGADRP C[NH+]1CCC2(CCC[N@H+](C[C@@H]3CCN(C(=O)OC(C)(C)C)C3)C2)CC1 ZINC000799177648 723995337 /nfs/dbraw/zinc/99/53/37/723995337.db2.gz ZGHPORNHLAEUHH-KRWDZBQOSA-N 2 0 351.535 3.051 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+][C@@H]2CCC[C@@H]2NC(=O)OC(C)(C)C)C1 ZINC000775621012 724011508 /nfs/dbraw/zinc/01/15/08/724011508.db2.gz GXHMXTGEHRMGDC-XDNAFOTISA-N 2 0 353.551 3.390 20 0 FGADRP C[NH+](C)CCOc1ccccc1N1CC[NH+](CCSC(C)(C)C)CC1 ZINC000801933157 724347714 /nfs/dbraw/zinc/34/77/14/724347714.db2.gz JPKMFMSRFFQXTO-UHFFFAOYSA-N 2 0 365.587 3.281 20 0 FGADRP C[C@H](CNC(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)cc1)[NH+]1CCCCC1 ZINC000802012045 724353542 /nfs/dbraw/zinc/35/35/42/724353542.db2.gz HQGLEZWDWRSPTC-CRAIPNDOSA-N 2 0 366.937 3.116 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@H](O)c2cc(F)cc(Cl)c2)[C@H](C)C1 ZINC000787034971 725014295 /nfs/dbraw/zinc/01/42/95/725014295.db2.gz MIBDGBAFHFGYHS-MDASCCDHSA-N 2 0 372.912 3.239 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+]C2CC(NC(=O)OC(C)(C)C)C2)C1 ZINC000809605535 725251643 /nfs/dbraw/zinc/25/16/43/725251643.db2.gz DMMAGVDDNGLNKI-OQSMONGASA-N 2 0 353.551 3.390 20 0 FGADRP c1nc(C2OCCO2)sc1C[NH2+]C1CCC([NH+]2CCCCC2)CC1 ZINC000809623809 725253117 /nfs/dbraw/zinc/25/31/17/725253117.db2.gz ADUYTEDBOLLAFY-UHFFFAOYSA-N 2 0 351.516 3.075 20 0 FGADRP C[NH+](C)[C@@H](CNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1)c1ccc(Cl)cc1 ZINC000810465277 725309328 /nfs/dbraw/zinc/30/93/28/725309328.db2.gz KWAIOOIRIFTGBN-QFBILLFUSA-N 2 0 369.912 3.271 20 0 FGADRP C[NH+](C)C[C@H](NC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1)c1ccc(Cl)cc1 ZINC000811505149 725370339 /nfs/dbraw/zinc/37/03/39/725370339.db2.gz GVLJOQLCTKBMLR-LPHOPBHVSA-N 2 0 369.912 3.271 20 0 FGADRP C[C@@H]1C[C@@H]1C[NH2+]C1CCC([NH+]2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000812801099 726813078 /nfs/dbraw/zinc/81/30/78/726813078.db2.gz DBJSKULCBPGEKH-MRLCAUJQSA-N 2 0 351.535 3.096 20 0 FGADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2CC1 ZINC000814678356 726992419 /nfs/dbraw/zinc/99/24/19/726992419.db2.gz RZYSODZKSLHCBE-FGTMMUONSA-N 2 0 351.535 3.050 20 0 FGADRP CCCC[NH+]1CCC([NH2+]C[C@H](O)c2ccccc2Br)CC1 ZINC000819042148 727341120 /nfs/dbraw/zinc/34/11/20/727341120.db2.gz GGHSQBZNRZRMOL-KRWDZBQOSA-N 2 0 355.320 3.337 20 0 FGADRP O[C@H](C[NH2+]CC1CC[NH+](C2CC2)CC1)c1ccc(OC(F)(F)F)cc1 ZINC000819267018 727362816 /nfs/dbraw/zinc/36/28/16/727362816.db2.gz ICXWQSQZDQOBTH-QGZVFWFLSA-N 2 0 358.404 3.083 20 0 FGADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@]23C[C@H]2CN(C(=O)OC(C)(C)C)C3)C[C@H]1C ZINC000823464895 729282898 /nfs/dbraw/zinc/28/28/98/729282898.db2.gz OGWCSOCEFRXGKU-YLAKUSLOSA-N 2 0 351.535 3.048 20 0 FGADRP CC(C)[C@H](CNC(=O)OC(C)(C)C)C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000823489257 729284909 /nfs/dbraw/zinc/28/49/09/729284909.db2.gz CNMGTRYOGRIFDP-KURKYZTESA-N 2 0 353.551 3.199 20 0 FGADRP CCC[N@@H+]1CC[C@H](C[NH2+]C[C@H]2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)C1 ZINC000823699075 729299559 /nfs/dbraw/zinc/29/95/59/729299559.db2.gz ZUDPOVAXFHZTKF-OKZBNKHCSA-N 2 0 353.551 3.344 20 0 FGADRP CCC[NH+]1CCC([NH2+]C[C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)CC1 ZINC000824081031 729319041 /nfs/dbraw/zinc/31/90/41/729319041.db2.gz RPUFLWQFJITHRW-IAGOWNOFSA-N 2 0 353.551 3.486 20 0 FGADRP C[C@@H]1C[C@H](C[NH2+]CC2(C)CC[NH+](C)CC2)CCN1C(=O)OC(C)(C)C ZINC000824131582 729320929 /nfs/dbraw/zinc/32/09/29/729320929.db2.gz WAKIZHAFROFRKU-IAGOWNOFSA-N 2 0 353.551 3.344 20 0 FGADRP CC(C)(C)OC(=O)NC[C@H]1CC[C@@H]([NH2+]C2CC[NH+](CC3CC3)CC2)C1 ZINC000825262484 729376095 /nfs/dbraw/zinc/37/60/95/729376095.db2.gz IKLGMBZJLOLMAW-FUHWJXTLSA-N 2 0 351.535 3.144 20 0 FGADRP Cc1cc([C@@H]([NH3+])CC(=O)N2CCC(C[N@@H+](C)C(C)C)CC2)cc(Cl)n1 ZINC000827533121 729431438 /nfs/dbraw/zinc/43/14/38/729431438.db2.gz CNTXKKGZZPQPIS-KRWDZBQOSA-N 2 0 366.937 3.012 20 0 FGADRP C[C@@H]([NH2+]C1CC[NH+](C2CCC2)CC1)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000834545314 729812404 /nfs/dbraw/zinc/81/24/04/729812404.db2.gz YBSUPRZDDNIHDK-QAPCUYQASA-N 2 0 351.535 3.381 20 0 FGADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)[C@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000834566640 729814985 /nfs/dbraw/zinc/81/49/85/729814985.db2.gz PTLVZAFTUVTONT-RCCFBDPRSA-N 2 0 353.551 3.484 20 0 FGADRP CN(C(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1)C1CCC([NH3+])CC1 ZINC000841835251 730280169 /nfs/dbraw/zinc/28/01/69/730280169.db2.gz MPDZPLFIAWBLHJ-IDMDMSBLSA-N 2 0 364.559 3.042 20 0 FGADRP Ic1ccccc1C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000843126127 730588915 /nfs/dbraw/zinc/58/89/15/730588915.db2.gz GWHIQTJVFPQOOJ-CQSZACIVSA-N 2 0 370.278 3.113 20 0 FGADRP C[C@H](C(=O)Nc1cccc(C(F)(F)F)c1)[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000843364221 730610724 /nfs/dbraw/zinc/61/07/24/730610724.db2.gz SRRUYRXNHWCTQU-CYBMUJFWSA-N 2 0 355.404 3.108 20 0 FGADRP O=C(C[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)Nc1ccccc1SC(F)F ZINC000843388444 730612726 /nfs/dbraw/zinc/61/27/26/730612726.db2.gz NUQFUMDWGKLYCL-KGLIPLIRSA-N 2 0 369.481 3.261 20 0 FGADRP CCCCn1nc(C)c(C[N@@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)c1Cl ZINC000844901394 730787009 /nfs/dbraw/zinc/78/70/09/730787009.db2.gz DVTQDVFZYNJQAA-LZLYRXPVSA-N 2 0 368.953 3.363 20 0 FGADRP CCOC(=O)C(F)(F)[C@@H]1CCC[C@H]([NH2+]Cc2ccc(C[NH3+])cc2F)C1 ZINC000844904627 730787411 /nfs/dbraw/zinc/78/74/11/730787411.db2.gz AHSDZYXVDLZNKF-CABCVRRESA-N 2 0 358.404 3.131 20 0 FGADRP [NH3+]CCCCCC[NH+]1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000846217980 730937418 /nfs/dbraw/zinc/93/74/18/730937418.db2.gz QHTNDZPXNXYTRR-UHFFFAOYSA-N 2 0 358.313 3.270 20 0 FGADRP C[C@@H](NC(=[NH2+])NCCCN(C)CC[NH+](C)C)c1ccc(Cl)cc1Cl ZINC000849079349 731226660 /nfs/dbraw/zinc/22/66/60/731226660.db2.gz JMWIPEOHIVDAED-CYBMUJFWSA-N 2 0 374.360 3.052 20 0 FGADRP C[C@@H](NC(=[NH2+])NC[C@@H]1CCC[N@@H+]1CCCO)c1ccc(Cl)cc1Cl ZINC000849112951 731230526 /nfs/dbraw/zinc/23/05/26/731230526.db2.gz GFVIXMXNALNWEA-OCCSQVGLSA-N 2 0 373.328 3.015 20 0 FGADRP Brc1ccoc1C[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000850362974 731348696 /nfs/dbraw/zinc/34/86/96/731348696.db2.gz XMHUJKYMAAUAPX-UHFFFAOYSA-N 2 0 364.287 3.439 20 0 FGADRP COC[C@@H](CC1CCOCC1)[NH2+]C1CC[NH+](CC2CCCCC2)CC1 ZINC000850431212 731356501 /nfs/dbraw/zinc/35/65/01/731356501.db2.gz UPYMSFZXDRKIKC-OAQYLSRUSA-N 2 0 352.563 3.452 20 0 FGADRP O=C(C=C1CC[NH2+]CC1)NC[C@H]1CCCC[N@H+]1Cc1cccc(Cl)c1 ZINC000852866683 731641665 /nfs/dbraw/zinc/64/16/65/731641665.db2.gz KNWLFFDQQUFVSX-LJQANCHMSA-N 2 0 361.917 3.121 20 0 FGADRP CC[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3c(C)nsc3C)C2)ccn1 ZINC000856584359 732040276 /nfs/dbraw/zinc/04/02/76/732040276.db2.gz IPEYUQFYWADEOD-GOSISDBHSA-N 2 0 360.527 3.260 20 0 FGADRP CC[N@H+](C)Cc1cc(O[C@H]2CCN(Cc3cncc(Cl)c3)C2)ccn1 ZINC000856765527 732056374 /nfs/dbraw/zinc/05/63/74/732056374.db2.gz HMCKGOGNKSKINE-IBGZPJMESA-N 2 0 360.889 3.235 20 0 FGADRP C[NH+](C)Cc1ccc(C[N@H+](C)CCOCC(F)(F)C(F)(F)F)cc1 ZINC000859212432 732290639 /nfs/dbraw/zinc/29/06/39/732290639.db2.gz JSSOCVAIGCAHNY-UHFFFAOYSA-N 2 0 354.363 3.394 20 0 FGADRP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CC(F)(F)CN2C(=O)OC(C)(C)C)C1 ZINC000862283549 732804213 /nfs/dbraw/zinc/80/42/13/732804213.db2.gz KIFCKWMROSBLJQ-RBSFLKMASA-N 2 0 361.477 3.094 20 0 FGADRP Clc1nc2ccccc2cc1C[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000863576919 732978695 /nfs/dbraw/zinc/97/86/95/732978695.db2.gz YNLIFIWYBPGJOV-SFHVURJKSA-N 2 0 359.901 3.479 20 0 FGADRP C[NH+](C)C[C@@H]1CN(C(=O)Nc2cccc(Cl)c2Cl)C[C@H]1C[NH+](C)C ZINC000866041368 733305036 /nfs/dbraw/zinc/30/50/36/733305036.db2.gz SLZCGEJVBFAYME-CHWSQXEVSA-N 2 0 373.328 3.197 20 0 FGADRP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)c1cc2c(ccnc2Cl)o1 ZINC000866261985 733330138 /nfs/dbraw/zinc/33/01/38/733330138.db2.gz CUOYZMBRLATSSJ-KGLIPLIRSA-N 2 0 351.878 3.369 20 0 FGADRP COc1cc([C@@H](C)[NH2+]C2CCC(C)([NH+](C)C)CC2)ccc1S(C)(=O)=O ZINC000866517464 733360034 /nfs/dbraw/zinc/36/00/34/733360034.db2.gz ZWQBPOYLHMZHRH-ICXUMSERSA-N 2 0 368.543 3.012 20 0 FGADRP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2C[C@H]3C[C@@H](C2)N(C(=O)OC(C)(C)C)C3)[C@@H](C)C1 ZINC000872129287 735594094 /nfs/dbraw/zinc/59/40/94/735594094.db2.gz XIFZJXQONKHGAL-JCECYMMASA-N 2 0 351.535 3.094 20 0 FGADRP CCOC(=O)c1ncc(C[N@@H+]2CCC[C@@H](C[C@@H]([NH3+])C3CCCC3)C2)s1 ZINC000872156360 735597021 /nfs/dbraw/zinc/59/70/21/735597021.db2.gz ILZFMDARAHGPPG-WMLDXEAASA-N 2 0 365.543 3.439 20 0 FGADRP COc1cc(OC)c([C@@H](C)[NH2+]C[C@H]2CC3(CO2)CC[NH2+]CC3)cc1Cl ZINC000873289617 735746785 /nfs/dbraw/zinc/74/67/85/735746785.db2.gz JURYDURWCMBMFJ-ZIAGYGMSSA-N 2 0 368.905 3.167 20 0 FGADRP C([C@H]1CC2(CO1)CCOCC2)[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000877959758 736750433 /nfs/dbraw/zinc/75/04/33/736750433.db2.gz SQYUEEVYVRRKHI-HXUWFJFHSA-N 2 0 350.547 3.160 20 0 FGADRP C([C@H]1CCC2(CCOCC2)O1)[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000877959603 736750447 /nfs/dbraw/zinc/75/04/47/736750447.db2.gz OJOIMAVYWOCXGC-HXUWFJFHSA-N 2 0 350.547 3.303 20 0 FGADRP C[NH+]1CCC2(CC[N@H+](CC3CCN(C(=O)OC(C)(C)C)CC3)C2)CC1 ZINC000878865749 736926985 /nfs/dbraw/zinc/92/69/85/736926985.db2.gz CLJLKFUAJSDWPJ-UHFFFAOYSA-N 2 0 351.535 3.051 20 0 FGADRP C[N@@H+]1CC[C@@H]2C[NH+](CC[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)CC[C@@H]21 ZINC000879582508 737010678 /nfs/dbraw/zinc/01/06/78/737010678.db2.gz SEHYKCSAFYKIID-KSZLIROESA-N 2 0 351.535 3.050 20 0 FGADRP OC[C@@]1(C(F)(F)F)CC[N@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000886813541 739305337 /nfs/dbraw/zinc/30/53/37/739305337.db2.gz ONKCTHKSNUFNAJ-GOSISDBHSA-N 2 0 356.432 3.419 20 0 FGADRP C[N@@H+]1CCC[C@@H](CNC(=O)NC2(C[NH3+])CCCCC2)[C@H]1c1cccs1 ZINC000891597160 739919453 /nfs/dbraw/zinc/91/94/53/739919453.db2.gz LCFPLYAVFWHZGY-RDJZCZTQSA-N 2 0 364.559 3.092 20 0 FGADRP CN(CCCCCC[NH3+])C(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000891597156 739919574 /nfs/dbraw/zinc/91/95/74/739919574.db2.gz LBLIWNYUTQRJRG-SJLPKXTDSA-N 2 0 366.575 3.292 20 0 FGADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2cnc(CC(F)(F)F)s2)C1 ZINC000892142854 739970011 /nfs/dbraw/zinc/97/00/11/739970011.db2.gz FYMSBRDNAZFNSH-CYBMUJFWSA-N 2 0 365.465 3.181 20 0 FGADRP CC[NH+](CC)Cc1ccccc1C[NH2+][C@H]1CCC2(C[C@@H]1F)OCCO2 ZINC000892465741 740003479 /nfs/dbraw/zinc/00/34/79/740003479.db2.gz GJYCVJFVUDJWTN-OALUTQOASA-N 2 0 350.478 3.252 20 0 FGADRP CC[NH+]1CCN(CCC[NH2+]Cc2cc3ccnc(Cl)c3s2)CC1 ZINC000894385867 742276656 /nfs/dbraw/zinc/27/66/56/742276656.db2.gz WGMFJEZBUBVPRL-UHFFFAOYSA-N 2 0 352.935 3.067 20 0 FGADRP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)[C@@H]1CCC2(C[C@@H]1F)OCCO2 ZINC000894456172 742285834 /nfs/dbraw/zinc/28/58/34/742285834.db2.gz MLNPMZGTULGUAL-RBUKOAKNSA-N 2 0 350.478 3.204 20 0 FGADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C2CCC([NH+](C)C)CC2)C[C@H]1C(F)(F)F ZINC000894979746 742359556 /nfs/dbraw/zinc/35/95/56/742359556.db2.gz ZPPLTYZDRMBOCE-VQPKISINSA-N 2 0 364.452 3.359 20 0 FGADRP C[C@H]([NH2+]CCC1(O)CC[NH+](Cc2ccccc2)CC1)C1CC(F)(F)C1 ZINC000895650951 742436784 /nfs/dbraw/zinc/43/67/84/742436784.db2.gz XKHRZLKIZWZGDD-INIZCTEOSA-N 2 0 352.469 3.427 20 0 FGADRP [NH3+]CCCC[C@H]([NH2+]C1CCN(CC(F)F)CC1)c1ccc(F)cc1F ZINC000902334998 743734057 /nfs/dbraw/zinc/73/40/57/743734057.db2.gz HRPPIRLVRRFNGK-KRWDZBQOSA-N 2 0 361.427 3.454 20 0 FGADRP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CC1(OCCO)CCC(C(F)F)CC1 ZINC000902434970 743743650 /nfs/dbraw/zinc/74/36/50/743743650.db2.gz QVQXOQZMASTPLW-SDDULXJBSA-N 2 0 362.505 3.090 20 0 FGADRP CC(C)C[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)C1CCOCC1 ZINC000902880675 743783573 /nfs/dbraw/zinc/78/35/73/743783573.db2.gz LITWQPYBZOXFJM-PCCBWWKXSA-N 2 0 352.563 3.185 20 0 FGADRP CC(C)[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)NC(=O)OC(C)(C)C ZINC000903097249 743804463 /nfs/dbraw/zinc/80/44/63/743804463.db2.gz DWIHINNEGIGQLZ-ONQFOCNCSA-N 2 0 351.535 3.283 20 0 FGADRP FC(F)(F)c1cccnc1OCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903127502 743810407 /nfs/dbraw/zinc/81/04/07/743810407.db2.gz ZMURNJPJIFQORO-LQDVMPOASA-N 2 0 355.404 3.227 20 0 FGADRP [NH3+][C@H]1CCCO[C@@H]1C1CC[NH+](C[C@@H]2[C@@H](c3ccccc3)C2(F)F)CC1 ZINC000903458605 743852718 /nfs/dbraw/zinc/85/27/18/743852718.db2.gz FLHZLGRZFDOJFQ-FCGDIQPGSA-N 2 0 350.453 3.254 20 0 FGADRP Fc1cccc(C2CC[NH+](C[C@@H]3CC4(CO3)CC[NH2+]CC4)CC2)c1F ZINC000903763223 743881537 /nfs/dbraw/zinc/88/15/37/743881537.db2.gz ISTKHYDLMRLRKA-INIZCTEOSA-N 2 0 350.453 3.303 20 0 FGADRP Cc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@@H]2C[NH2+]CCC2(F)F)cc1Cl ZINC000903957419 743905278 /nfs/dbraw/zinc/90/52/78/743905278.db2.gz QNNCSICJXNENBY-STQMWFEESA-N 2 0 359.848 3.200 20 0 FGADRP CCN1CC[NH+](CCCC[NH2+]C[C@@H](O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000905110297 743993558 /nfs/dbraw/zinc/99/35/58/743993558.db2.gz LYWSMFYXBRNYQD-GOSISDBHSA-N 2 0 374.356 3.034 20 0 FGADRP CC1([NH+]2CCC2)CCC([NH2+]C[C@@H](O)COCc2ccc(Cl)cc2)CC1 ZINC000905603385 744035793 /nfs/dbraw/zinc/03/57/93/744035793.db2.gz ZNSWMVQFAPBEES-IOJLRTSASA-N 2 0 366.933 3.214 20 0 FGADRP CSCc1ccc(C[NH2+]Cc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)cc1 ZINC000922239918 758877433 /nfs/dbraw/zinc/87/74/33/758877433.db2.gz LRPZLPSEYCRMPV-NRFANRHFSA-N 2 0 356.535 3.406 20 0 FGADRP CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3cnc(Cl)c(C)c3)C2)[C@@H]1C(C)C ZINC000922393606 758912391 /nfs/dbraw/zinc/91/23/91/758912391.db2.gz MLGTYMRYLFNWBA-VXNCWWDNSA-N 2 0 351.922 3.003 20 0 FGADRP CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3cnc(C4CCC4)s3)C2)[C@@H]1C(C)C ZINC000922392066 758912969 /nfs/dbraw/zinc/91/29/69/758912969.db2.gz AZFZXNTVAQEXHY-XSYGEPLQSA-N 2 0 363.571 3.370 20 0 FGADRP O[C@@H](COc1c(Cl)cccc1Cl)CN1CCC([NH2+]CC2CC2)CC1 ZINC000923291120 759096159 /nfs/dbraw/zinc/09/61/59/759096159.db2.gz AHHPYBWILNQZDF-OAHLLOKOSA-N 2 0 373.324 3.197 20 0 FGADRP [NH3+][C@@H]1CCO[C@@H](C2CC[NH+](C[C@H](O)c3ccc(Cl)cc3Cl)CC2)C1 ZINC000923378354 759107626 /nfs/dbraw/zinc/10/76/26/759107626.db2.gz HMSUAGFOCKLEAH-FHLIZLRMSA-N 2 0 373.324 3.245 20 0 FGADRP CC[C@H]1CN(C(=O)C(C)C)CC[C@@H]1[NH2+]C1CC[NH+](CCC(C)C)CC1 ZINC000925176417 759459588 /nfs/dbraw/zinc/45/95/88/759459588.db2.gz GZVFMGXPXPUPFX-ICSRJNTNSA-N 2 0 351.579 3.370 20 0 FGADRP C[C@H]([NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1cccc(Br)n1 ZINC000925440375 759488591 /nfs/dbraw/zinc/48/85/91/759488591.db2.gz RDYABJFKOZIJSM-KFWWJZLASA-N 2 0 370.335 3.384 20 0 FGADRP O=S1(=O)CC[C@H]([NH2+]CCCCCC2CC[NH2+]CC2)c2cc(F)ccc21 ZINC000925806481 759546323 /nfs/dbraw/zinc/54/63/23/759546323.db2.gz DXCZHOYFGBLUFT-SFHVURJKSA-N 2 0 368.518 3.194 20 0 FGADRP O=C1O[C@H](C[NH2+][C@@H]2CC[C@@H](c3ccc(Cl)cc3)C2)CC12CC[NH2+]CC2 ZINC000925849252 759557334 /nfs/dbraw/zinc/55/73/34/759557334.db2.gz NPARYMOKAZIRGV-NXHRZFHOSA-N 2 0 362.901 3.251 20 0 FGADRP C[C@H]([NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1cc(Cl)cc(Cl)c1 ZINC000925850619 759558490 /nfs/dbraw/zinc/55/84/90/759558490.db2.gz KLZIKMIUPDWMKI-XHDPSFHLSA-N 2 0 357.281 3.329 20 0 FGADRP C[C@@H]([NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1cccc(Cl)c1Cl ZINC000925856016 759560720 /nfs/dbraw/zinc/56/07/20/759560720.db2.gz RCGFLSBMWCLALU-VXGBXAGGSA-N 2 0 357.281 3.329 20 0 FGADRP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+][C@H]3CCc4c3nccc4Cl)cc2)C1 ZINC000926688619 759803338 /nfs/dbraw/zinc/80/33/38/759803338.db2.gz GCSMPQZPONHGPR-APWZRJJASA-N 2 0 357.885 3.079 20 0 FGADRP C[C@H]1C[C@H]([NH2+]C[C@]23CCC[C@H]2N(C(=O)OC(C)(C)C)CC3)CC[N@@H+]1C ZINC000927005812 759875036 /nfs/dbraw/zinc/87/50/36/759875036.db2.gz PJACHRNKWIHOLX-TVKQPGBESA-N 2 0 351.535 3.238 20 0 FGADRP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]C[C@H]3CCC4(CCOCC4)O3)CC2)C1 ZINC000927012470 759876768 /nfs/dbraw/zinc/87/67/68/759876768.db2.gz HTSQAIBRJGKROK-MISYRCLQSA-N 2 0 350.547 3.347 20 0 FGADRP C[C@@H]([NH2+]C1CCC(C)([NH+]2CCC2)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000927037690 759879765 /nfs/dbraw/zinc/87/97/65/759879765.db2.gz KHSIARFQQVIISQ-LSJNQWAISA-N 2 0 350.528 3.148 20 0 FGADRP C[C@H](CC(=O)Nc1cccnc1Cl)[NH2+]C1CCC(C)([NH+]2CCC2)CC1 ZINC000927039532 759880762 /nfs/dbraw/zinc/88/07/62/759880762.db2.gz VKXXFYWGVQJELR-TZGCNFNXSA-N 2 0 364.921 3.449 20 0 FGADRP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]2C[NH+](C)Cc2csc(C)c2)CC[N@@H+]1C ZINC000960643185 762736870 /nfs/dbraw/zinc/73/68/70/762736870.db2.gz KUWSWJBATJWWNB-CEXWTWQISA-N 2 0 363.571 3.210 20 0 FGADRP C[C@@H]([NH2+]C1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1)c1cccc(Cl)c1 ZINC000996603555 765019276 /nfs/dbraw/zinc/01/92/76/765019276.db2.gz ONIWGZRILAYLPG-SPYBWZPUSA-N 2 0 363.933 3.322 20 0 FGADRP CC[C@@H]1[C@@H](C(=O)N2CCC([NH2+]Cc3cc(C)sc3C)CC2)CC[N@@H+]1C ZINC000996611339 765021182 /nfs/dbraw/zinc/02/11/82/765021182.db2.gz JDUVINDYXVUETJ-RBUKOAKNSA-N 2 0 363.571 3.176 20 0 FGADRP Cc1ccc(C[NH+]2CCC(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)c(Cl)c1 ZINC001002852380 765347907 /nfs/dbraw/zinc/34/79/07/765347907.db2.gz OTPHRRNWKRKDCJ-CRAIPNDOSA-N 2 0 363.933 3.069 20 0 FGADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc(C)cc3Cl)C2)CC[N@@H+]1C ZINC001020174442 765866641 /nfs/dbraw/zinc/86/66/41/765866641.db2.gz BEBISUMFGHFSFU-LSTDLKDCSA-N 2 0 363.933 3.116 20 0 FGADRP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCC[NH+](Cc3cccc(Cl)c3)C2)CC[N@@H+]1C ZINC001023380665 766035615 /nfs/dbraw/zinc/03/56/15/766035615.db2.gz DZEJWVAKBYIKCI-HHXXYDBFSA-N 2 0 363.933 3.008 20 0 FGADRP C[C@@H]1[C@H](C(=O)N2CCC[C@@H](C[NH2+]Cc3sccc3Cl)C2)CC[N@@H+]1C ZINC001023994046 766047448 /nfs/dbraw/zinc/04/74/48/766047448.db2.gz XNDPNFNDYOVERZ-QLFBSQMISA-N 2 0 369.962 3.070 20 0 FGADRP CC[C@@H]1[C@@H](C(=O)NC2CCC([NH2+]CCc3cccs3)CC2)CC[N@@H+]1C ZINC001026497407 766074728 /nfs/dbraw/zinc/07/47/28/766074728.db2.gz YFSDLRDSIHKBEI-YVZJPGBNSA-N 2 0 363.571 3.038 20 0 FGADRP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](C[NH2+]Cc3ccc(Cl)cc3)C2)CC[N@@H+]1C ZINC001026856361 766083221 /nfs/dbraw/zinc/08/32/21/766083221.db2.gz YJICAPJPQVCWSJ-YTQUADARSA-N 2 0 363.933 3.008 20 0 FGADRP C[C@H]([NH2+][C@H](CC(N)=O)c1ccccc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000293555304 257380009 /nfs/dbraw/zinc/38/00/09/257380009.db2.gz FLQSRXSSCODFFR-DZFGPLHGSA-N 2 0 351.494 3.103 20 0 FGADRP C[N@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(C(=O)C2([NH3+])CCC2)CC1 ZINC000570799429 505583445 /nfs/dbraw/zinc/58/34/45/505583445.db2.gz ODPVUFILZBGMBW-UHFFFAOYSA-N 2 0 369.431 3.010 20 0 FGADRP C[C@H](CCCC[NH3+])NC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000570938491 505616595 /nfs/dbraw/zinc/61/65/95/505616595.db2.gz DPLJMPQXXGAYFD-CRAIPNDOSA-N 2 0 366.937 3.294 20 0 FGADRP CC[N@H+](CCC1CC1)CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000568147314 505627777 /nfs/dbraw/zinc/62/77/77/505627777.db2.gz ZFPKOUCBNMKGPZ-UHFFFAOYSA-N 2 0 357.542 3.198 20 0 FGADRP COC(=O)c1cccc(C[NH+]2CCC(C[N@H+](C)Cc3ccccc3)CC2)n1 ZINC000571014741 505632828 /nfs/dbraw/zinc/63/28/28/505632828.db2.gz WDPXTHHXXGXORK-UHFFFAOYSA-N 2 0 367.493 3.212 20 0 FGADRP COc1ccc(C[NH+]2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)c(Cl)c1OC ZINC000571027728 505636757 /nfs/dbraw/zinc/63/67/57/505636757.db2.gz HFJZILLXSMASGS-YJBOKZPZSA-N 2 0 368.905 3.076 20 0 FGADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@H](CCO)c1ccc(Cl)cc1 ZINC000571033859 505637820 /nfs/dbraw/zinc/63/78/20/505637820.db2.gz BRCJKGLKMDXXDK-LJQANCHMSA-N 2 0 356.857 3.442 20 0 FGADRP COCC[C@@H](Cc1cccc(F)c1)[NH2+]CC1(SC)CC[NH+](C)CC1 ZINC000577108445 505666370 /nfs/dbraw/zinc/66/63/70/505666370.db2.gz SHARDOIYHXTINN-SFHVURJKSA-N 2 0 354.535 3.190 20 0 FGADRP CCC[C@H](NC(=O)[C@H](C)[NH+]1CCC([C@H]2CC[NH2+]C2)CC1)c1ccccc1 ZINC000571166080 505670114 /nfs/dbraw/zinc/67/01/14/505670114.db2.gz ROXLNRSMMDNSNQ-YYWHXJBOSA-N 2 0 357.542 3.354 20 0 FGADRP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000577163544 505677585 /nfs/dbraw/zinc/67/75/85/505677585.db2.gz ICTCGPQWQUKDPZ-WFXMLNOXSA-N 2 0 372.557 3.472 20 0 FGADRP C[NH2+][C@H](CC(C)(C)C)C(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000571214193 505680783 /nfs/dbraw/zinc/68/07/83/505680783.db2.gz VXQZJVOPKJGEAF-LJQANCHMSA-N 2 0 360.546 3.171 20 0 FGADRP CC[C@@H](Cc1ccc(C)cc1)[N@H+](C)CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000075885838 493790756 /nfs/dbraw/zinc/79/07/56/493790756.db2.gz HVXIWAGMRALQOJ-NRFANRHFSA-N 2 0 359.558 3.237 20 0 FGADRP C[N@@H+](Cc1ccccc1)CC1CC[NH+](CC(=O)NCc2ccccc2)CC1 ZINC000057843713 493807683 /nfs/dbraw/zinc/80/76/83/493807683.db2.gz QTYWZTAJMSUVHA-UHFFFAOYSA-N 2 0 365.521 3.147 20 0 FGADRP CC[NH+](CC)Cc1cccc(NC(=O)[C@H]([NH2+]C2CCOCC2)C(C)C)c1 ZINC000076306573 493863753 /nfs/dbraw/zinc/86/37/53/493863753.db2.gz HPPCIOIAJYQRFN-HXUWFJFHSA-N 2 0 361.530 3.260 20 0 FGADRP CC[C@H]1CCC[N@@H+]([C@@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000030145061 493877721 /nfs/dbraw/zinc/87/77/21/493877721.db2.gz ASNHDFFNHGVXKQ-OALUTQOASA-N 2 0 357.542 3.278 20 0 FGADRP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@H](C)CC2)CC1 ZINC000068828729 493880249 /nfs/dbraw/zinc/88/02/49/493880249.db2.gz BHXPHESOHAJBIE-SFHVURJKSA-N 2 0 357.542 3.198 20 0 FGADRP C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)c1ccc(C[NH+](C)C)cc1 ZINC000076387766 493880620 /nfs/dbraw/zinc/88/06/20/493880620.db2.gz CNMVLFCOEHDYBZ-IBGZPJMESA-N 2 0 365.521 3.485 20 0 FGADRP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)NCCC[NH2+]C2CCCCC2)C1 ZINC000059992961 493910655 /nfs/dbraw/zinc/91/06/55/493910655.db2.gz GKWQHHYEDOTEJD-QZTJIDSGSA-N 2 0 366.594 3.355 20 0 FGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](c1cccc(OC)c1)[NH+](CC)CC ZINC000060335515 493923203 /nfs/dbraw/zinc/92/32/03/493923203.db2.gz NFVLNUKEXQQCLK-PMACEKPBSA-N 2 0 361.530 3.069 20 0 FGADRP COC(=O)c1oc(CN2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)cc1C ZINC000574084884 505690039 /nfs/dbraw/zinc/69/00/39/505690039.db2.gz USCYTMBUYMFYJA-RBUKOAKNSA-N 2 0 368.477 3.329 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H]1COc2ccccc2O1 ZINC000568427422 505691456 /nfs/dbraw/zinc/69/14/56/505691456.db2.gz UUMVEMVBBVPROP-RLLQIKCJSA-N 2 0 352.478 3.327 20 0 FGADRP C[C@H]1C[NH+](CCC2CC[NH+](Cc3ccc4c(n3)CCC4)CC2)C[C@H](C)O1 ZINC000580165090 505692809 /nfs/dbraw/zinc/69/28/09/505692809.db2.gz VMVJBIUHJKPFFD-ROUUACIJSA-N 2 0 357.542 3.282 20 0 FGADRP CC[NH+](CC)Cc1ccccc1CNC(=O)N1CCC[N@@H+](C(C)C)CC1 ZINC000069732937 494004553 /nfs/dbraw/zinc/00/45/53/494004553.db2.gz UBDGWTBKMJIJKB-UHFFFAOYSA-N 2 0 360.546 3.154 20 0 FGADRP CC[N@H+](C)C[C@H]1CC[NH+](CCC(=O)Nc2cccc(C(F)(F)F)c2)C1 ZINC000083214656 494008443 /nfs/dbraw/zinc/00/84/43/494008443.db2.gz ULJASLYBQINFEB-CQSZACIVSA-N 2 0 357.420 3.308 20 0 FGADRP C[C@@H](CC[NH+](C)C)NC(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000062506623 494015163 /nfs/dbraw/zinc/01/51/63/494015163.db2.gz BNRDQANCHDLYJZ-SFHVURJKSA-N 2 0 368.525 3.007 20 0 FGADRP CC1(C)CC(NC(=O)NC2CC[NH+](CC3CCCC3)CC2)CC(C)(C)[NH2+]1 ZINC000063333198 494046724 /nfs/dbraw/zinc/04/67/24/494046724.db2.gz NLXTWVIWHIPVQN-UHFFFAOYSA-N 2 0 364.578 3.249 20 0 FGADRP C[NH+](C)Cc1cccc(CNC(=O)NC2CC[NH+](CC3CCCC3)CC2)c1 ZINC000063407785 494052555 /nfs/dbraw/zinc/05/25/55/494052555.db2.gz XJUUBBJGECPIAJ-UHFFFAOYSA-N 2 0 372.557 3.202 20 0 FGADRP CC(C)C[NH+]1CCC(NC(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000063586597 494066727 /nfs/dbraw/zinc/06/67/27/494066727.db2.gz KSNLNFSTRYCMMI-FQEVSTJZSA-N 2 0 357.542 3.135 20 0 FGADRP C[NH+](C)CCN(Cc1cccs1)C(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000084412212 494071577 /nfs/dbraw/zinc/07/15/77/494071577.db2.gz USUWVDZBELABJU-LJQANCHMSA-N 2 0 374.554 3.124 20 0 FGADRP C[C@@H]1CCc2sc(C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)cc2C1 ZINC000071798311 494101200 /nfs/dbraw/zinc/10/12/00/494101200.db2.gz IVTYRFBEONLZCF-MRXNPFEDSA-N 2 0 365.587 3.219 20 0 FGADRP C[C@H](NC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)C(C)(C)C[NH+](C)C ZINC000085362699 494116396 /nfs/dbraw/zinc/11/63/96/494116396.db2.gz XSEBRIBWUWCXDT-HBFSDRIKSA-N 2 0 374.573 3.173 20 0 FGADRP CC(C)Oc1ccc(C[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cn1 ZINC000571312778 505704122 /nfs/dbraw/zinc/70/41/22/505704122.db2.gz BNVWKERGZKODKI-GHTZIAJQSA-N 2 0 353.466 3.214 20 0 FGADRP CC(C)[NH+](CCCNC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1)C(C)C ZINC000072517767 494191331 /nfs/dbraw/zinc/19/13/31/494191331.db2.gz BCGLQWBFTWGJEM-IBGZPJMESA-N 2 0 352.567 3.155 20 0 FGADRP CC[NH+](CC)Cc1ccc(C(=O)N2CC[N@@H+]([C@@H]3C[C@@H]3C)C[C@@H](C)C2)cc1 ZINC000568495063 505708532 /nfs/dbraw/zinc/70/85/32/505708532.db2.gz RHDKHRUXHQWCRA-LVCYWYKZSA-N 2 0 357.542 3.331 20 0 FGADRP CC[NH+]1CCN(CCC[NH2+]C/C(C)=C\c2ccccc2OC(F)F)CC1 ZINC000571335083 505709198 /nfs/dbraw/zinc/70/91/98/505709198.db2.gz XRDXXBWPPHIVGQ-ICFOKQHNSA-N 2 0 367.484 3.309 20 0 FGADRP CCC[N@@H+]1CC[C@@H](CNC(=O)NC[C@@H](c2ccsc2)[NH+](CC)CC)C1 ZINC000054509431 494242275 /nfs/dbraw/zinc/24/22/75/494242275.db2.gz PNCKPWKXPNRVMJ-WMZOPIPTSA-N 2 0 366.575 3.162 20 0 FGADRP C[C@@H](CNC(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000042929581 494252951 /nfs/dbraw/zinc/25/29/51/494252951.db2.gz VPEAPUZRBFCNFR-MOPGFXCFSA-N 2 0 372.557 3.071 20 0 FGADRP CCC[NH+]1CCN(c2ccccc2C[NH2+]Cc2cccc(CO)c2)CC1 ZINC000088715455 494256618 /nfs/dbraw/zinc/25/66/18/494256618.db2.gz CNBBLNKFYUFUFN-UHFFFAOYSA-N 2 0 353.510 3.001 20 0 FGADRP C[NH+](C)[C@H](CNC(=O)NC[C@@H](C1CCCCC1)[NH+](C)C)c1cccs1 ZINC000043144077 494269137 /nfs/dbraw/zinc/26/91/37/494269137.db2.gz DEFXEXJRUXUAQK-DLBZAZTESA-N 2 0 366.575 3.161 20 0 FGADRP C(CC[NH+]1CCC2(C1)CCOCC2)CC[N@@H+]1CCC2(C1)CCOCC2 ZINC000072898821 494278480 /nfs/dbraw/zinc/27/84/80/494278480.db2.gz GKVPCIJTLOQKBV-UHFFFAOYSA-N 2 0 350.547 3.162 20 0 FGADRP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000043239796 494279146 /nfs/dbraw/zinc/27/91/46/494279146.db2.gz IJYHRNBGWZSYLH-PZJWPPBQSA-N 2 0 372.557 3.215 20 0 FGADRP CCC[NH+]1CCC(N(C)C(=O)NC[C@H](CC(C)C)[NH+](CC)CC)CC1 ZINC000066176897 494283554 /nfs/dbraw/zinc/28/35/54/494283554.db2.gz BOWWRZGIBROJQX-IBGZPJMESA-N 2 0 354.583 3.259 20 0 FGADRP Cc1c[nH+]ccc1N1CCC(C(=O)NC[C@@]2([NH+](C)C)CCC[C@@H](C)C2)CC1 ZINC000073025558 494307942 /nfs/dbraw/zinc/30/79/42/494307942.db2.gz FEIQVEQKHKRPTC-VGOFRKELSA-N 2 0 372.557 3.233 20 0 FGADRP C[NH2+][C@H](CC(C)(C)C)C(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000577368902 505714476 /nfs/dbraw/zinc/71/44/76/505714476.db2.gz OGGNAILZQXONLE-GOSISDBHSA-N 2 0 365.949 3.445 20 0 FGADRP C[C@@H](C(=O)Nc1cccc(C[NH+]2CCSCC2)c1)[NH+]1CCCCCC1 ZINC000078715021 494347302 /nfs/dbraw/zinc/34/73/02/494347302.db2.gz VBPSALQDSBDBRC-KRWDZBQOSA-N 2 0 361.555 3.438 20 0 FGADRP C[NH+](C)Cc1cccc(NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000044291899 494347421 /nfs/dbraw/zinc/34/74/21/494347421.db2.gz PJWBSRVARURCNW-HXUWFJFHSA-N 2 0 352.482 3.144 20 0 FGADRP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N1CCC[NH+](CCCc2ccccc2)CC1 ZINC000580256989 505715504 /nfs/dbraw/zinc/71/55/04/505715504.db2.gz RUJRAGKOJJDLHU-HXUWFJFHSA-N 2 0 374.573 3.065 20 0 FGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CCCC[NH+]1Cc1ccccc1 ZINC000078799684 494363988 /nfs/dbraw/zinc/36/39/88/494363988.db2.gz VPBBOICFRQISAP-SFTDATJTSA-N 2 0 357.542 3.420 20 0 FGADRP COc1cc(-c2noc(C[N@@H+]3CC4(C[C@H]3C)CC[NH2+]CC4)n2)ccc1C ZINC000577382646 505717599 /nfs/dbraw/zinc/71/75/99/505717599.db2.gz HGLKBMHMIFLZRK-OAHLLOKOSA-N 2 0 356.470 3.018 20 0 FGADRP CC[N@H+](C)Cc1cccc(CNC(=O)NC[C@@H]2[NH+](C)CCCC2(C)C)c1 ZINC000571372899 505717715 /nfs/dbraw/zinc/71/77/15/505717715.db2.gz UXFOUNGYOQNEEE-IBGZPJMESA-N 2 0 360.546 3.058 20 0 FGADRP CC[NH+](CC)Cc1cccc(CNC(=O)NC2CC[NH+](CC(C)C)CC2)c1 ZINC000079096890 494403874 /nfs/dbraw/zinc/40/38/74/494403874.db2.gz TXLPBJUKRWAYGB-UHFFFAOYSA-N 2 0 374.573 3.448 20 0 FGADRP O=C(NCc1cccc(C[NH+]2CCCC2)c1)N1CCC([NH+]2CCCC2)CC1 ZINC000079197981 494417814 /nfs/dbraw/zinc/41/78/14/494417814.db2.gz KKFJDOASNJTKML-UHFFFAOYSA-N 2 0 370.541 3.052 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)N(C)CC[C@H]1CCCC[N@@H+]1C)c1ccco1 ZINC000073898580 494445460 /nfs/dbraw/zinc/44/54/60/494445460.db2.gz AOTUYINVWGVNGO-MSOLQXFVSA-N 2 0 364.534 3.178 20 0 FGADRP C[NH+](C)CCC1CC[NH+](C[C@@H](O)CO[C@@H]2CCCc3ccccc32)CC1 ZINC000079492383 494465277 /nfs/dbraw/zinc/46/52/77/494465277.db2.gz HGYHNWKZLOSNNG-IFMALSPDSA-N 2 0 360.542 3.105 20 0 FGADRP COc1ccc2c(c1)CCC[C@@H]2[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000090523431 494477871 /nfs/dbraw/zinc/47/78/71/494477871.db2.gz HOWYUTZLGACZOK-BDTNDASRSA-N 2 0 358.526 3.430 20 0 FGADRP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)N1CC[C@H](C[NH+](C)CCC)C1 ZINC000074162394 494490590 /nfs/dbraw/zinc/49/05/90/494490590.db2.gz AAPQMYFDXQOCBP-MOPGFXCFSA-N 2 0 352.567 3.014 20 0 FGADRP CC[C@@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)c1ccc2c(c1)OCCO2 ZINC000090937186 494504419 /nfs/dbraw/zinc/50/44/19/494504419.db2.gz UFCCPUJZUJIOAC-GOSISDBHSA-N 2 0 371.481 3.034 20 0 FGADRP C[C@@H](CNC(=O)NCc1cccc(C[NH+]2CCCC2)c1)C[NH+]1CCCCC1 ZINC000079689854 494508799 /nfs/dbraw/zinc/50/87/99/494508799.db2.gz MJMVJXMYQAENID-IBGZPJMESA-N 2 0 372.557 3.204 20 0 FGADRP CC(C)[C@@H](NC(=O)C[NH+]1CCC(CC[NH+](C)C)CC1)c1ccc(F)cc1 ZINC000056523710 494519549 /nfs/dbraw/zinc/51/95/49/494519549.db2.gz NKYSPLCZDMYUIV-OAQYLSRUSA-N 2 0 363.521 3.303 20 0 FGADRP CC(C)[NH+]1CCC(C(=O)N(C)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000074446645 494537899 /nfs/dbraw/zinc/53/78/99/494537899.db2.gz FMIOJPVDQQLDDP-OAQYLSRUSA-N 2 0 357.542 3.230 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCC(C[NH+](C)Cc2ccccc2)CC1 ZINC000074490524 494546560 /nfs/dbraw/zinc/54/65/60/494546560.db2.gz AECFSITVEWGELE-OAQYLSRUSA-N 2 0 372.557 3.024 20 0 FGADRP COc1cc(C[NH2+]C[C@H]2CC[N@@H+](C(C)C)C2)ccc1OCc1ccncc1 ZINC000067507192 494553678 /nfs/dbraw/zinc/55/36/78/494553678.db2.gz UYVBLISOEBCENA-HXUWFJFHSA-N 2 0 369.509 3.489 20 0 FGADRP C[NH+](C)CCN(Cc1ccsc1)C(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000571416065 505728455 /nfs/dbraw/zinc/72/84/55/505728455.db2.gz GPXZIWHPOSOHMB-FQEVSTJZSA-N 2 0 371.550 3.160 20 0 FGADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H]2CCc3c2cccc3Br)CC1 ZINC000091285572 494578730 /nfs/dbraw/zinc/57/87/30/494578730.db2.gz JNOLYIUAVYWTMO-RDTXWAMCSA-N 2 0 366.347 3.052 20 0 FGADRP C[C@H](C[NH2+][C@@H](C)c1ccc(OC(F)(F)F)cc1)CN1CC[NH+](C)CC1 ZINC000121076303 494584301 /nfs/dbraw/zinc/58/43/01/494584301.db2.gz ICSDTOBGFJSOKQ-CABCVRRESA-N 2 0 359.436 3.119 20 0 FGADRP CC(C)[C@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)c1ccccc1 ZINC000091375263 494589522 /nfs/dbraw/zinc/58/95/22/494589522.db2.gz LDIZBIBTGHJDJY-NRFANRHFSA-N 2 0 353.510 3.465 20 0 FGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@@H](C)c2sc(C(C)C)nc2C)CC1 ZINC000121155812 494621156 /nfs/dbraw/zinc/62/11/56/494621156.db2.gz WTURMTKFGJAGOA-HOTGVXAUSA-N 2 0 352.592 3.499 20 0 FGADRP CC(C)C[NH+]1CCC(NC(=O)NC[C@@H](C(C)C)[NH+]2CCCCCC2)CC1 ZINC000107937828 494624475 /nfs/dbraw/zinc/62/44/75/494624475.db2.gz IHQMNIUYSRHRFM-FQEVSTJZSA-N 2 0 366.594 3.307 20 0 FGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H](C)c2ccc(Br)s2)CC1 ZINC000121164512 494626049 /nfs/dbraw/zinc/62/60/49/494626049.db2.gz WXEAKSACZHKCAF-KGLIPLIRSA-N 2 0 374.392 3.435 20 0 FGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H](C)c2ccc(Br)s2)CC1 ZINC000121164829 494626554 /nfs/dbraw/zinc/62/65/54/494626554.db2.gz WXEAKSACZHKCAF-ZIAGYGMSSA-N 2 0 374.392 3.435 20 0 FGADRP C[C@@H]1C[N@@H+](CC2CC[NH+](Cc3c[nH]nc3-c3ccccc3)CC2)C[C@H](C)O1 ZINC000092587141 494676761 /nfs/dbraw/zinc/67/67/61/494676761.db2.gz OKJINIIFUGQVJT-HDICACEKSA-N 2 0 368.525 3.398 20 0 FGADRP C[NH+]1CCC(Nc2ccccc2NC(=O)[C@H]2C[C@@H]3CCCC[N@@H+]3C2)CC1 ZINC000080616922 494748598 /nfs/dbraw/zinc/74/85/98/494748598.db2.gz PELLDUHGPMFAFK-WMZOPIPTSA-N 2 0 356.514 3.006 20 0 FGADRP C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)CC(=O)N1CCCCCC1 ZINC000092821316 494763331 /nfs/dbraw/zinc/76/33/31/494763331.db2.gz VEOKVGXLNSQYJB-UHFFFAOYSA-N 2 0 358.530 3.023 20 0 FGADRP C[C@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)CC[N@@H+]1Cc1ccccc1 ZINC000075490926 494775639 /nfs/dbraw/zinc/77/56/39/494775639.db2.gz UUMWYWBBAAOHMX-IBGZPJMESA-N 2 0 365.521 3.485 20 0 FGADRP C[NH+](C)[C@@H](CNC(=O)NC[C@@H](c1ccsc1)[NH+](C)C)c1ccsc1 ZINC000075528483 494785479 /nfs/dbraw/zinc/78/54/79/494785479.db2.gz WJWDDVZSZWDXPZ-HOTGVXAUSA-N 2 0 366.556 3.014 20 0 FGADRP CCC[N@@H+]1CCC[C@H]1C(=O)Nc1cccc(C[NH+]2CCSCC2)c1C ZINC000116435249 494786075 /nfs/dbraw/zinc/78/60/75/494786075.db2.gz YPEROQFKBUDAAO-IBGZPJMESA-N 2 0 361.555 3.357 20 0 FGADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)N2CC[NH+](C3CCCC3)CC2)C1 ZINC000108811088 494790732 /nfs/dbraw/zinc/79/07/32/494790732.db2.gz SYNVGQQPYSYJIE-QUCCMNQESA-N 2 0 370.541 3.092 20 0 FGADRP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000108884391 494799396 /nfs/dbraw/zinc/79/93/96/494799396.db2.gz IIWHGTLRNUCEDO-SFHVURJKSA-N 2 0 352.567 3.203 20 0 FGADRP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)N(C)C[C@H]2CCC[N@H+](C)C2)CC1 ZINC000116560883 494814707 /nfs/dbraw/zinc/81/47/07/494814707.db2.gz SXMUPGBOZIQHPK-OALUTQOASA-N 2 0 372.557 3.195 20 0 FGADRP OCC[NH+]1CCC(C[NH2+][C@H]2CCCOc3cc4c(cc32)CCCC4)CC1 ZINC000126670889 494816361 /nfs/dbraw/zinc/81/63/61/494816361.db2.gz SXHYQGFGXDCWBW-NRFANRHFSA-N 2 0 358.526 3.073 20 0 FGADRP C[NH+](C)CC[C@H](NC(=O)N1CCC[C@@H]1C[NH+]1CCCCC1)C(C)(C)C ZINC000116565984 494817670 /nfs/dbraw/zinc/81/76/70/494817670.db2.gz VVYFHGXFOXVUDJ-MSOLQXFVSA-N 2 0 352.567 3.013 20 0 FGADRP C[N@@H+]1CCC[C@@H](CNC(=O)c2ccccc2CC[NH3+])[C@H]1c1cccs1 ZINC000577525882 505744661 /nfs/dbraw/zinc/74/46/61/505744661.db2.gz NZSVDSIBWZJSLT-LPHOPBHVSA-N 2 0 357.523 3.062 20 0 FGADRP Cc1cc2c(cc1C)[C@H]([NH2+]C[C@@H](C(C)C)N1CC[NH+](C)CC1)CCCO2 ZINC000132488869 494882605 /nfs/dbraw/zinc/88/26/05/494882605.db2.gz ZTRINBDUJCKTLS-RTWAWAEBSA-N 2 0 359.558 3.379 20 0 FGADRP CCC[NH+]1CCN(c2ccccc2C[N@H+](C)[C@@H]2CC[NH+](CC)C[C@@H]2C)CC1 ZINC000093639079 494906339 /nfs/dbraw/zinc/90/63/39/494906339.db2.gz XQWFPMUAOVTIRZ-RBBKRZOGSA-N 3 0 372.601 3.381 20 0 FGADRP COc1cc(C[NH+]2CCC(CCC[NH+](C)C)CC2)cc(OC)c1OC ZINC000093688645 494912224 /nfs/dbraw/zinc/91/22/24/494912224.db2.gz YHUJAXFYPDBQBI-UHFFFAOYSA-N 2 0 350.503 3.266 20 0 FGADRP C[C@@H](CC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1)[C@@H]1CCC[NH2+]C1 ZINC000127270266 494919554 /nfs/dbraw/zinc/91/95/54/494919554.db2.gz BGTHCCZFAXBSSW-GHTZIAJQSA-N 2 0 357.542 3.315 20 0 FGADRP CC(C)C[C@H](C[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1)N(C)C ZINC000132907099 494941153 /nfs/dbraw/zinc/94/11/53/494941153.db2.gz KCAYPYWYFDNXDC-OAQYLSRUSA-N 2 0 360.590 3.283 20 0 FGADRP OC[C@H]1CCC[N@@H+]1CCCC[NH2+][C@H]1CCCc2ncc(C(F)(F)F)cc21 ZINC000132931805 494945062 /nfs/dbraw/zinc/94/50/62/494945062.db2.gz RFTTZVMCWSLNLX-WBVHZDCISA-N 2 0 371.447 3.304 20 0 FGADRP C[N@H+](Cc1ccco1)Cc1ccccc1C[NH2+]Cc1cc(C(N)=O)cs1 ZINC000133037211 494959170 /nfs/dbraw/zinc/95/91/70/494959170.db2.gz CKUOXWKHIKCNFM-UHFFFAOYSA-N 2 0 369.490 3.362 20 0 FGADRP CC[N@H+](Cc1ccc(C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)cc1)C(C)C ZINC000127600593 494968372 /nfs/dbraw/zinc/96/83/72/494968372.db2.gz LVCGINOGLXSYFP-HXUWFJFHSA-N 2 0 357.542 3.475 20 0 FGADRP CCC[NH+]1CCN(c2ccccc2CN2CCC([NH+]3CCCC3)CC2)CC1 ZINC000127729678 494988216 /nfs/dbraw/zinc/98/82/16/494988216.db2.gz FGEQVYZXJCSIGN-UHFFFAOYSA-N 2 0 370.585 3.279 20 0 FGADRP CC[C@@H]([NH2+]C[C@@H](C)N1CC[NH+](C)CC1)c1cccc(Br)c1 ZINC000127734479 494989013 /nfs/dbraw/zinc/98/90/13/494989013.db2.gz MDGBMGGFTPZIQK-RHSMWYFYSA-N 2 0 354.336 3.126 20 0 FGADRP C[C@H]([NH3+])c1ccc(CNC(=O)NC[C@H](c2ccc(Cl)cc2)[NH+](C)C)cc1 ZINC000580420371 505755622 /nfs/dbraw/zinc/75/56/22/505755622.db2.gz WQSDRBVMJSZGAR-IFXJQAMLSA-N 2 0 374.916 3.462 20 0 FGADRP C[NH+](C)CCC1CC[NH+](C[C@@H](O)c2ccccc2Br)CC1 ZINC000133459692 495016892 /nfs/dbraw/zinc/01/68/92/495016892.db2.gz WXQFBTGKZJZVSG-QGZVFWFLSA-N 2 0 355.320 3.146 20 0 FGADRP CCOCCC[N@@H+]1CC[C@@H](NCCC[NH+]2CCc3ccccc3C2)[C@H](C)C1 ZINC000122774211 495028780 /nfs/dbraw/zinc/02/87/80/495028780.db2.gz YDAXFPWPTPOECV-NFBKMPQASA-N 2 0 373.585 3.161 20 0 FGADRP C[C@H](C[NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1)c1ccc(F)cc1 ZINC000128023437 495032150 /nfs/dbraw/zinc/03/21/50/495032150.db2.gz IPHPNQJJVFHGES-MRXNPFEDSA-N 2 0 363.521 3.146 20 0 FGADRP C[N@H+](CCC(=O)Nc1ccc(Br)cc1)C[C@H]1CCC[NH+](C)C1 ZINC000118842163 495046593 /nfs/dbraw/zinc/04/65/93/495046593.db2.gz ONCAOPIKQCMLIV-AWEZNQCLSA-N 2 0 368.319 3.051 20 0 FGADRP CCC[NH+]1CCC([N@H+](C)C[C@@H](O)COc2ccc3ccccc3c2)CC1 ZINC000111241147 495053018 /nfs/dbraw/zinc/05/30/18/495053018.db2.gz LSTODCSXCJBFII-OAQYLSRUSA-N 2 0 356.510 3.386 20 0 FGADRP C[NH+](C)Cc1cccc(CNC(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)c1 ZINC000098093311 495053506 /nfs/dbraw/zinc/05/35/06/495053506.db2.gz MTDCBCULCGKIPW-OAQYLSRUSA-N 2 0 351.494 3.029 20 0 FGADRP CN(c1ccccc1CN[C@@H]1CC[N@@H+](C2CCCC2)C1)C1CC[NH+](C)CC1 ZINC000134029235 495095718 /nfs/dbraw/zinc/09/57/18/495095718.db2.gz GZHMYNMERXUTOU-HXUWFJFHSA-N 2 0 370.585 3.324 20 0 FGADRP Cc1nc(C(C)(C)C)sc1[C@@H](C)[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000128514098 495109169 /nfs/dbraw/zinc/10/91/69/495109169.db2.gz MQZVLUDFEMOYDA-OAHLLOKOSA-N 2 0 352.592 3.427 20 0 FGADRP CN(CCC1CCCCC1)C(=O)NC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000102013547 495115255 /nfs/dbraw/zinc/11/52/55/495115255.db2.gz IQFOYBFXSMUMAI-UHFFFAOYSA-N 2 0 364.578 3.157 20 0 FGADRP C[C@H](CNC(=O)NCCCCC[NH+]1CCCCC1)C[NH+]1CCCCC1 ZINC000111834989 495117554 /nfs/dbraw/zinc/11/75/54/495117554.db2.gz SMFSMQREDXDXIO-LJQANCHMSA-N 2 0 352.567 3.064 20 0 FGADRP COCC[NH+]1CCC(N[C@H]2CCc3c2c(Br)ccc3F)CC1 ZINC000134341204 495136853 /nfs/dbraw/zinc/13/68/53/495136853.db2.gz YKAOZFPROBOSBQ-INIZCTEOSA-N 2 0 371.294 3.276 20 0 FGADRP CC1CC[NH+](Cc2cccc(CNC(=O)N(C)CC[NH+]3CCCC3)c2)CC1 ZINC000112748517 495235819 /nfs/dbraw/zinc/23/58/19/495235819.db2.gz RVTPJIFCHBGAIK-UHFFFAOYSA-N 2 0 372.557 3.156 20 0 FGADRP CC[N@@H+]1CCCC[C@H]1C(=O)Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1 ZINC000104322165 495276871 /nfs/dbraw/zinc/27/68/71/495276871.db2.gz MNMCOOFLFUXXFH-NRFANRHFSA-N 2 0 370.541 3.032 20 0 FGADRP Cc1nccn1-c1ccc([C@H](C)[NH2+]CC2CC[NH+](CCN(C)C)CC2)cc1 ZINC000124449446 495289347 /nfs/dbraw/zinc/28/93/47/495289347.db2.gz BLZGQTKVJFEOLG-SFHVURJKSA-N 2 0 369.557 3.105 20 0 FGADRP COc1cc([C@H](C)[NH2+]CC2CC[NH+](CCN(C)C)CC2)ccc1SC ZINC000124491026 495296227 /nfs/dbraw/zinc/29/62/27/495296227.db2.gz FNZGNXLXZDNEJY-INIZCTEOSA-N 2 0 365.587 3.341 20 0 FGADRP C[C@@H]([NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1)c1ccc2c(c1)OCO2 ZINC000124775104 495341921 /nfs/dbraw/zinc/34/19/21/495341921.db2.gz OQEPUYJVIQASCV-QGZVFWFLSA-N 2 0 359.514 3.016 20 0 FGADRP Brc1ccc2c(c1)[C@H](N[C@H]1CC[N@@H+]3CCC[C@@H]3C1)CCO2 ZINC000130135574 495345855 /nfs/dbraw/zinc/34/58/55/495345855.db2.gz SMIQQLCUZBINGF-SQWLQELKSA-N 2 0 351.288 3.489 20 0 FGADRP C[N@@H+]1CCCN(CCC[NH2+]Cc2ccccc2OCc2ccccc2)CC1 ZINC000105477072 495365614 /nfs/dbraw/zinc/36/56/14/495365614.db2.gz PHCGFKFGBSGPAM-UHFFFAOYSA-N 2 0 367.537 3.383 20 0 FGADRP CC(C)CC[C@@H](O)C[NH2+][C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000571633738 505779048 /nfs/dbraw/zinc/77/90/48/505779048.db2.gz BBZGFZPKXZUXPP-FUHWJXTLSA-N 2 0 351.510 3.025 20 0 FGADRP CC(C)CC[C@H](O)C[NH2+][C@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000571633737 505779120 /nfs/dbraw/zinc/77/91/20/505779120.db2.gz BBZGFZPKXZUXPP-AEFFLSMTSA-N 2 0 351.510 3.025 20 0 FGADRP C[NH+](C)CC1CCC([NH2+]C[C@H](O)CO[C@@H]2CCCc3ccccc32)CC1 ZINC000571633944 505779233 /nfs/dbraw/zinc/77/92/33/505779233.db2.gz GEADUHQIYVVQAI-QOLBBYBCSA-N 2 0 360.542 3.152 20 0 FGADRP CCc1nc2c(s1)[C@@H]([NH2+]Cc1ccc(N3CC[NH+](C)CC3)nc1)CCC2 ZINC000130499252 495401816 /nfs/dbraw/zinc/40/18/16/495401816.db2.gz QBKCDCRWHLTSAU-INIZCTEOSA-N 2 0 371.554 3.020 20 0 FGADRP CCC[NH+]1CCC(CNC(=O)N(CC[NH+](C)C)Cc2cccc(C)c2)CC1 ZINC000114950465 495445597 /nfs/dbraw/zinc/44/55/97/495445597.db2.gz SRTKHZJSMPIKKF-UHFFFAOYSA-N 2 0 374.573 3.190 20 0 FGADRP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N[C@H](C[NH3+])c2ccc3ccccc3c2)C1 ZINC000571656830 505784132 /nfs/dbraw/zinc/78/41/32/505784132.db2.gz KLSDZLNQRFASNN-LAUBAEHRSA-N 2 0 368.525 3.259 20 0 FGADRP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)N2CCC([NH2+]C3CCCC3)CC2)C1 ZINC000131112350 495493950 /nfs/dbraw/zinc/49/39/50/495493950.db2.gz RJVRXGVQPQCUOB-SFHVURJKSA-N 2 0 364.578 3.061 20 0 FGADRP CC[N@H+](Cc1ccc(C(=O)N[C@H]2CC[NH+](C3CCCC3)C2)cc1)C1CC1 ZINC000106791237 495497738 /nfs/dbraw/zinc/49/77/38/495497738.db2.gz DHPMDBHGGYJLCD-IBGZPJMESA-N 2 0 355.526 3.418 20 0 FGADRP COCCOc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C(C)C)C2)cc1OC ZINC000125840043 495507232 /nfs/dbraw/zinc/50/72/32/495507232.db2.gz FHXRWMNIMCRFGO-ROUUACIJSA-N 2 0 364.530 3.491 20 0 FGADRP C[C@@H]([NH2+]C[C@H](C)CN1CC[NH+](C)CC1)c1nc(-c2ccccc2)cs1 ZINC000121048410 495512175 /nfs/dbraw/zinc/51/21/75/495512175.db2.gz NXCMJBFBVSZSDI-DLBZAZTESA-N 2 0 358.555 3.344 20 0 FGADRP CC[NH+]1CCN([C@@H](C)C[NH2+]Cc2ccc(-c3c(F)cccc3F)o2)CC1 ZINC000115612092 495521420 /nfs/dbraw/zinc/52/14/20/495521420.db2.gz GXSSASUJTLKVST-HNNXBMFYSA-N 2 0 363.452 3.340 20 0 FGADRP CC[NH+]1CCN(CCC[NH2+][C@H](C)c2cc(Cl)c(OC)cc2OC)CC1 ZINC000154313964 495577554 /nfs/dbraw/zinc/57/75/54/495577554.db2.gz GWBQRBOBWOYDHV-OAHLLOKOSA-N 2 0 369.937 3.035 20 0 FGADRP C[C@@H]1C[NH+](Cc2ccc(C[NH2+]Cc3cc(O)cc(F)c3)cc2)C[C@@H](C)O1 ZINC000185458230 495584380 /nfs/dbraw/zinc/58/43/80/495584380.db2.gz KFZXYRBMLYJBRK-HZPDHXFCSA-N 2 0 358.457 3.430 20 0 FGADRP CN1CC[NH+](CCCC[NH2+][C@@H]2CCCOc3c(Cl)cccc32)CC1 ZINC000154359403 495592470 /nfs/dbraw/zinc/59/24/70/495592470.db2.gz JSYLUBGTLIFXFR-GOSISDBHSA-N 2 0 351.922 3.171 20 0 FGADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000176399797 495638548 /nfs/dbraw/zinc/63/85/48/495638548.db2.gz KRCSEBJTVGQTNN-HKBOAZHASA-N 2 0 370.541 3.092 20 0 FGADRP CC[NH+](CC)CCCC1CCN(C(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000182638672 495646443 /nfs/dbraw/zinc/64/64/43/495646443.db2.gz POFBVDRHYVMQLZ-UXHICEINSA-N 2 0 366.594 3.403 20 0 FGADRP COc1ccc(C[N@H+](C)CCN(C)C2CC[NH+](C)CC2)c2ccccc12 ZINC000577800203 505795154 /nfs/dbraw/zinc/79/51/54/505795154.db2.gz LCAVLDQXYRIDEA-UHFFFAOYSA-N 2 0 355.526 3.306 20 0 FGADRP CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCC[NH+](C)C1CCCC1 ZINC000176476402 495664503 /nfs/dbraw/zinc/66/45/03/495664503.db2.gz ZZAPYLKNRNUJJR-HXUWFJFHSA-N 2 0 372.557 3.024 20 0 FGADRP CC(C)C[C@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)c1ccccn1 ZINC000159129351 495665861 /nfs/dbraw/zinc/66/58/61/495665861.db2.gz RVMQBRXCIBQWRR-FQEVSTJZSA-N 2 0 353.514 3.105 20 0 FGADRP Cc1ccccc1C[NH+]1CCC(NC(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000173747015 495674478 /nfs/dbraw/zinc/67/44/78/495674478.db2.gz ACWXGTISJHWHDG-NQIIRXRSSA-N 2 0 372.557 3.084 20 0 FGADRP CC[N@H+](C)[C@H](C(=O)NCc1ccc(C[NH+](C)C)c(F)c1)c1ccccc1 ZINC000154638461 495680788 /nfs/dbraw/zinc/68/07/88/495680788.db2.gz VNMHBCLGNZUERF-FQEVSTJZSA-N 2 0 357.473 3.197 20 0 FGADRP C[NH+](C)CCN1CCC([NH2+][C@@H]2CCCOc3c(Cl)cccc32)CC1 ZINC000150957989 495694927 /nfs/dbraw/zinc/69/49/27/495694927.db2.gz NHDYYNOCUCYIRQ-GOSISDBHSA-N 2 0 351.922 3.169 20 0 FGADRP C[NH+](C)CCNC(=O)c1cccc(C[NH2+][C@@H]2CCCc3cc(F)ccc32)c1 ZINC000182782277 495700064 /nfs/dbraw/zinc/70/00/64/495700064.db2.gz CYULAUIJZPVBMD-OAQYLSRUSA-N 2 0 369.484 3.284 20 0 FGADRP COC(=O)c1ccccc1OCC[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185730966 495701538 /nfs/dbraw/zinc/70/15/38/495701538.db2.gz NOUJJJVFBXCWTG-IRXDYDNUSA-N 2 0 360.498 3.095 20 0 FGADRP Cc1ccc(-c2ncc(C[NH2+][C@H](C)CCN3CC[NH+](C)CC3)s2)cc1 ZINC000185863791 495755476 /nfs/dbraw/zinc/75/54/76/495755476.db2.gz LXRKCFHDYLBCBC-QGZVFWFLSA-N 2 0 358.555 3.234 20 0 FGADRP FC(F)Oc1ccccc1C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000173946109 495758387 /nfs/dbraw/zinc/75/83/87/495758387.db2.gz ASQPTUDSWYYMLN-UHFFFAOYSA-N 2 0 354.441 3.365 20 0 FGADRP NC(=O)[C@H](Cc1ccc(Cl)cc1)[NH2+]Cc1ccc(C[NH+]2CCCC2)cc1 ZINC000185878432 495761820 /nfs/dbraw/zinc/76/18/20/495761820.db2.gz WEJQTDODGFPLKA-FQEVSTJZSA-N 2 0 371.912 3.122 20 0 FGADRP CC(C)n1ncc2cc(C[NH+]3CCC(OCC[NH+]4CCCC4)CC3)cnc21 ZINC000173956526 495763971 /nfs/dbraw/zinc/76/39/71/495763971.db2.gz QMSPFPKPWUFSHN-UHFFFAOYSA-N 2 0 371.529 3.089 20 0 FGADRP C[NH+]1CCN(CCC(C)(C)[NH2+]Cc2cc(Cl)cc3cccnc32)CC1 ZINC000185895035 495769481 /nfs/dbraw/zinc/76/94/81/495769481.db2.gz AEUAGRSZCBSZAO-UHFFFAOYSA-N 2 0 360.933 3.394 20 0 FGADRP C[C@H](c1cccc(Br)c1)[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000182953386 495773233 /nfs/dbraw/zinc/77/32/33/495773233.db2.gz AJASCEUHHWVXAI-OAHLLOKOSA-N 2 0 354.336 3.079 20 0 FGADRP C[NH2+][C@H](CC(C)(C)C)C(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000577846770 505803215 /nfs/dbraw/zinc/80/32/15/505803215.db2.gz ZIBWPFOJGITETD-BFYDXBDKSA-N 2 0 351.560 3.271 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1cccc(C)c1F ZINC000179939869 495792590 /nfs/dbraw/zinc/79/25/90/495792590.db2.gz GRWVBUOANRKQPW-INIZCTEOSA-N 2 0 350.482 3.014 20 0 FGADRP O=C1[C@H]([N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)CCN1c1ccc(Cl)cc1Cl ZINC000580646513 505805179 /nfs/dbraw/zinc/80/51/79/505805179.db2.gz JBUZYZSTGHXYJV-IIYDPXPESA-N 2 0 368.308 3.030 20 0 FGADRP C[C@@H]1C[N@@H+](CC2CC[NH+](Cc3ccc(-n4cccn4)cc3)CC2)C[C@H](C)O1 ZINC000171303644 495812076 /nfs/dbraw/zinc/81/20/76/495812076.db2.gz JUSINGJLQRPJSB-KDURUIRLSA-N 2 0 368.525 3.194 20 0 FGADRP CC[NH+](CC)CCCNC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000155070035 495823933 /nfs/dbraw/zinc/82/39/33/495823933.db2.gz HZWNWDRQKBWUMF-TZIWHRDSSA-N 2 0 374.573 3.413 20 0 FGADRP C[NH+](C)CCOc1ccc(NC(=O)c2ccccc2CC[NH3+])cc1Cl ZINC000580655198 505806741 /nfs/dbraw/zinc/80/67/41/505806741.db2.gz OBVWMBOJGUUTKM-UHFFFAOYSA-N 2 0 361.873 3.034 20 0 FGADRP CC[C@@H](C)NC(=O)[C@H](C)[NH2+]Cc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000174156719 495840940 /nfs/dbraw/zinc/84/09/40/495840940.db2.gz APFPAXFVNYVGNN-SJORKVTESA-N 2 0 357.498 3.304 20 0 FGADRP Cn1cc(CCC[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)cn1 ZINC000183135821 495848978 /nfs/dbraw/zinc/84/89/78/495848978.db2.gz IFWTZSLJNIIYLZ-FDFHNCONSA-N 2 0 352.526 3.243 20 0 FGADRP C[C@@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000171389129 495851685 /nfs/dbraw/zinc/85/16/85/495851685.db2.gz NDRXTMIDBAZDDH-JMQGYIBLSA-N 2 0 373.585 3.268 20 0 FGADRP Cc1nn(-c2ccc(Br)cc2)c(C)c1CN(C)CCC[NH3+] ZINC000577869718 505809035 /nfs/dbraw/zinc/80/90/35/505809035.db2.gz YYCHYIGUZWGQDC-UHFFFAOYSA-N 2 0 351.292 3.032 20 0 FGADRP CCC[NH+]1CCC([N@H+](C)C[C@H](O)CO[C@@H]2CCCc3ccccc32)CC1 ZINC000177051276 495901414 /nfs/dbraw/zinc/90/14/14/495901414.db2.gz CGPFEWXSQWOYOO-RBBKRZOGSA-N 2 0 360.542 3.248 20 0 FGADRP Cc1nc(-c2ccccc2)sc1[C@H](C)[NH2+]CC1CC[NH+](CCO)CC1 ZINC000151859581 495972829 /nfs/dbraw/zinc/97/28/29/495972829.db2.gz HFHCVXJKHAMUST-HNNXBMFYSA-N 2 0 359.539 3.473 20 0 FGADRP C[C@H]([NH2+]CCCN1CCCCCC1=O)c1cccc(OCC[NH+](C)C)c1 ZINC000155502692 495976819 /nfs/dbraw/zinc/97/68/19/495976819.db2.gz AUQSSFJYRPJAQL-SFHVURJKSA-N 2 0 361.530 3.070 20 0 FGADRP Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)CC3 ZINC000180452864 496002289 /nfs/dbraw/zinc/00/22/89/496002289.db2.gz DCOQHHCJHVAJDK-IBGZPJMESA-N 2 0 368.569 3.197 20 0 FGADRP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)c1cccc(C[NH+](C)C)c1 ZINC000155580356 496002579 /nfs/dbraw/zinc/00/25/79/496002579.db2.gz DXUSLAPSHMDIGS-UHFFFAOYSA-N 2 0 366.509 3.061 20 0 FGADRP COc1ccc([C@@H]([NH2+]CC2CC[NH+](CCO)CC2)c2ccccc2)cc1 ZINC000180485636 496017420 /nfs/dbraw/zinc/01/74/20/496017420.db2.gz ZRKMRZIDVNNFPK-QFIPXVFZSA-N 2 0 354.494 3.079 20 0 FGADRP C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)NCc1ccccc1C[NH+]1CCCC1)C2 ZINC000174576563 496017524 /nfs/dbraw/zinc/01/75/24/496017524.db2.gz LIKCNWCWGIPJGK-SEJPIABJSA-N 2 0 370.541 3.097 20 0 FGADRP OCC[NH+]1CCC(C[NH2+]C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000180485593 496017572 /nfs/dbraw/zinc/01/75/72/496017572.db2.gz YQQJTMURVODMFQ-UHFFFAOYSA-N 2 0 360.448 3.348 20 0 FGADRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C1CCN(C(=O)NC2CCCCC2)CC1 ZINC000574629971 505819093 /nfs/dbraw/zinc/81/90/93/505819093.db2.gz JYVQUOLCQYVZGC-PXNSSMCTSA-N 2 0 364.578 3.394 20 0 FGADRP Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+][C@H](C)CCN1CC[NH+](C)CC1 ZINC000186577233 496053942 /nfs/dbraw/zinc/05/39/42/496053942.db2.gz IONALTSOGJUPDC-CABCVRRESA-N 2 0 352.592 3.426 20 0 FGADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H](C)c2cccc(OC(F)(F)F)c2)CC1 ZINC000155745112 496055676 /nfs/dbraw/zinc/05/56/76/496055676.db2.gz WJGFHQOCYRCFIU-HUUCEWRRSA-N 2 0 359.436 3.262 20 0 FGADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1ccc(F)cc1OC(F)F ZINC000186586277 496058000 /nfs/dbraw/zinc/05/80/00/496058000.db2.gz UWNXSKYUWIAZFM-KBPBESRZSA-N 2 0 359.436 3.104 20 0 FGADRP CC(C)N1CC[C@@H]([NH2+]Cc2ccccc2C[N@H+]2C[C@H](C)C[C@H](C)C2)C1=O ZINC000177427455 496058203 /nfs/dbraw/zinc/05/82/03/496058203.db2.gz GBIMPNXRTRDKNV-LVCYWYKZSA-N 2 0 357.542 3.263 20 0 FGADRP C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)C[C@@H]2CCCC[C@H]2[NH3+])C1 ZINC000568979947 505822874 /nfs/dbraw/zinc/82/28/74/505822874.db2.gz QMDHAVMGLGNYET-LVCYWYKZSA-N 2 0 357.542 3.442 20 0 FGADRP C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)C[C@H]2CCCC[C@H]2[NH3+])C1 ZINC000568979941 505823203 /nfs/dbraw/zinc/82/32/03/505823203.db2.gz QMDHAVMGLGNYET-DBXWQHBBSA-N 2 0 357.542 3.442 20 0 FGADRP Cc1ccc(NC(=O)[C@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)cc1NC(=O)CC[NH+](C)C ZINC000183838571 496132032 /nfs/dbraw/zinc/13/20/32/496132032.db2.gz DYKYPCJYGJYYGY-BBWFWOEESA-N 2 0 374.529 3.085 20 0 FGADRP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000172171565 496193377 /nfs/dbraw/zinc/19/33/77/496193377.db2.gz QUYHAVQSCOOVKU-LJQANCHMSA-N 2 0 372.557 3.387 20 0 FGADRP C[C@H](CC[NH2+]C1CCN(C(=O)c2ccco2)CC1)[N@H+](C)Cc1ccccc1 ZINC000156231557 496194059 /nfs/dbraw/zinc/19/40/59/496194059.db2.gz OUUNELCYZNZSGC-GOSISDBHSA-N 2 0 369.509 3.384 20 0 FGADRP C[C@H]([NH2+]C1CCN(c2ccccn2)CC1)c1cccc(OCC[NH+](C)C)c1 ZINC000156232526 496194160 /nfs/dbraw/zinc/19/41/60/496194160.db2.gz VZEIZMATAFXDPM-SFHVURJKSA-N 2 0 368.525 3.342 20 0 FGADRP COc1ccc(C)cc1C1(C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)CCOCC1 ZINC000152627984 496207501 /nfs/dbraw/zinc/20/75/01/496207501.db2.gz VKBAABLKMLLAGT-CMKODMSKSA-N 2 0 360.542 3.370 20 0 FGADRP C[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)C(C)(C)c1ccccc1 ZINC000177825694 496211645 /nfs/dbraw/zinc/21/16/45/496211645.db2.gz FTQRGDDJUIQXRT-GOSISDBHSA-N 2 0 352.526 3.289 20 0 FGADRP C[NH+](C)[C@H](CNC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1)C1CCCCC1 ZINC000156316752 496214002 /nfs/dbraw/zinc/21/40/02/496214002.db2.gz QBSLXDVLVPXOHL-WOJBJXKFSA-N 2 0 364.578 3.157 20 0 FGADRP OC1CC[NH+](Cc2ccccc2C[NH2+]Cc2cc3cccnc3o2)CC1 ZINC000580754913 505830256 /nfs/dbraw/zinc/83/02/56/505830256.db2.gz WDXJXNMJTPQFTE-UHFFFAOYSA-N 2 0 351.450 3.074 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N1CC[C@@H]([NH+](CC)CC)C1)c1ccsc1 ZINC000175075378 496237774 /nfs/dbraw/zinc/23/77/74/496237774.db2.gz IDZKZBIBZAUNMV-QZTJIDSGSA-N 2 0 366.575 3.257 20 0 FGADRP CC1CC[NH+](C2CCC(NC(=O)N(C)[C@H]3CC[N@H+](C)C[C@@H]3C)CC2)CC1 ZINC000152756677 496247541 /nfs/dbraw/zinc/24/75/41/496247541.db2.gz INKQQJSJXVOLSY-FVELJTHGSA-N 2 0 364.578 3.011 20 0 FGADRP O=C(c1cccc(CN2CCCC[C@@H]2[C@H]2CCC[NH2+]2)c1)N1CCCCC1 ZINC000580764868 505833256 /nfs/dbraw/zinc/83/32/56/505833256.db2.gz SDJGRQXXZVDVQY-NHCUHLMSSA-N 2 0 355.526 3.419 20 0 FGADRP CC(C)[NH+]1CCC(NC(=O)NC[C@@H](C2CC2)[N@H+](C)Cc2ccccc2)CC1 ZINC000187056378 496272810 /nfs/dbraw/zinc/27/28/10/496272810.db2.gz UESCYAGBMNXTID-NRFANRHFSA-N 2 0 372.557 3.069 20 0 FGADRP C[C@@H]([NH2+]C1CCN(CCc2ccncc2)CC1)c1ccc([S@@](C)=O)cc1 ZINC000152862987 496278244 /nfs/dbraw/zinc/27/82/44/496278244.db2.gz ZODOVBQEWRTLEQ-QUGAMOGWSA-N 2 0 371.550 3.177 20 0 FGADRP CC1CC[NH+](C2CCC([NH2+]C[C@@H](O)COc3ccc(F)cc3)CC2)CC1 ZINC000571875074 505835518 /nfs/dbraw/zinc/83/55/18/505835518.db2.gz IMXUJXQXJWKTCL-SOAGJPPSSA-N 2 0 364.505 3.198 20 0 FGADRP CC[C@H]([NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1ccc2c(c1)OCCO2 ZINC000178035781 496297897 /nfs/dbraw/zinc/29/78/97/496297897.db2.gz WUJUXJUFSNITIL-LMMKCTJWSA-N 2 0 362.514 3.388 20 0 FGADRP C[C@H]([NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1ccc2c(c1)OCCCO2 ZINC000178036629 496298284 /nfs/dbraw/zinc/29/82/84/496298284.db2.gz GQCIQDHXRUBPRY-KURKYZTESA-N 2 0 362.514 3.388 20 0 FGADRP CN(CCC[NH+]1CCCCC1)[C@H](CO)c1cccc(Br)c1 ZINC000162183362 496310378 /nfs/dbraw/zinc/31/03/78/496310378.db2.gz LUGOOLKAEYTKAN-QGZVFWFLSA-N 2 0 355.320 3.290 20 0 FGADRP Cc1csc(N2CCC([NH2+]Cc3ccc(OCC[NH+](C)C)cc3)CC2)n1 ZINC000162497958 496362283 /nfs/dbraw/zinc/36/22/83/496362283.db2.gz KNTKWJYKAXIELN-UHFFFAOYSA-N 2 0 374.554 3.151 20 0 FGADRP C[C@H]([NH2+]CCCN1CC[NH+](C)CC1)c1cc(Cl)ccc1OC(F)F ZINC000162553542 496373309 /nfs/dbraw/zinc/37/33/09/496373309.db2.gz BAMFBTBEAHMUBR-ZDUSSCGKSA-N 2 0 361.864 3.230 20 0 FGADRP COc1ccc([C@@H](C)[C@@H](C)[NH2+]C2CCN(C3CC[NH+](C)CC3)CC2)cc1 ZINC000178242295 496383951 /nfs/dbraw/zinc/38/39/51/496383951.db2.gz UVLMCKYSXGOXGW-ZWKOTPCHSA-N 2 0 359.558 3.335 20 0 FGADRP CC(C)[NH+]1CCC(C(=O)Nc2cccc(C[NH+]3CCSCC3)c2)CC1 ZINC000172722213 496402956 /nfs/dbraw/zinc/40/29/56/496402956.db2.gz CAJMGUMWHBIHJM-UHFFFAOYSA-N 2 0 361.555 3.294 20 0 FGADRP CC[N@@H+]1CCC[C@H](CNC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000162778916 496411694 /nfs/dbraw/zinc/41/16/94/496411694.db2.gz GCCBHWLFPFTKEB-HXUWFJFHSA-N 2 0 357.542 3.137 20 0 FGADRP CC(C)c1nc(NCc2cccc(C[NH+]3CCCC3)c2)nc(N(C)C)n1 ZINC000157408461 496471536 /nfs/dbraw/zinc/47/15/36/496471536.db2.gz SVCLGJYPWVDPBO-UHFFFAOYSA-N 2 0 354.502 3.269 20 0 FGADRP C[C@@H](CCNC(=O)N1CCC[C@@H]1C[NH+]1CCCC1)[N@H+](C)Cc1ccccc1 ZINC000175631427 496474542 /nfs/dbraw/zinc/47/45/42/496474542.db2.gz OOWSRDOBLLZGHY-PZJWPPBQSA-N 2 0 372.557 3.167 20 0 FGADRP C[C@@H]1C[C@H](N(C)C(=O)N[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)CC[N@@H+]1C ZINC000175641956 496479300 /nfs/dbraw/zinc/47/93/00/496479300.db2.gz QNTQDWKCCSDOGA-KOUHRCEDSA-N 2 0 372.557 3.164 20 0 FGADRP COCOc1ccc(OC)cc1C[NH2+]CCn1c(C)nc2ccccc21 ZINC000163459838 496518301 /nfs/dbraw/zinc/51/83/01/496518301.db2.gz JGQCWDBSKPVUDK-UHFFFAOYSA-N 2 0 355.438 3.126 20 0 FGADRP C[C@@H](C(=O)NCc1ccccc1C[NH+]1CCCC1)[C@@H]([NH3+])c1ccccc1 ZINC000178670605 496535315 /nfs/dbraw/zinc/53/53/15/496535315.db2.gz IOIVRKYFQHQPTR-DYESRHJHSA-N 2 0 351.494 3.235 20 0 FGADRP C[C@H](C[NH2+][C@@H](C)c1cc(Br)ccc1F)CN1CC[NH+](C)CC1 ZINC000178690773 496541518 /nfs/dbraw/zinc/54/15/18/496541518.db2.gz JQYBOCGIHHTHTI-KGLIPLIRSA-N 2 0 372.326 3.122 20 0 FGADRP C[C@H](C[NH2+][C@H](C)c1cc(Br)ccc1F)CN1CC[NH+](C)CC1 ZINC000178690800 496542007 /nfs/dbraw/zinc/54/20/07/496542007.db2.gz JQYBOCGIHHTHTI-ZIAGYGMSSA-N 2 0 372.326 3.122 20 0 FGADRP CCC[NH+]1CCC(CNC(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)CC1 ZINC000157747232 496544423 /nfs/dbraw/zinc/54/44/23/496544423.db2.gz GJSFUPZABPCTQA-NRFANRHFSA-N 2 0 372.557 3.245 20 0 FGADRP O=C(NCCCCC[NH+]1CCCCC1)NC1CC[NH+](C2CCCC2)CC1 ZINC000175788866 496546102 /nfs/dbraw/zinc/54/61/02/496546102.db2.gz ZOPOXUDSWMPEGU-UHFFFAOYSA-N 2 0 364.578 3.349 20 0 FGADRP CC[C@@H](C)[N@H+](C)CC(=O)NC[C@@H](c1ccc(OC)cc1)[NH+]1CCCCC1 ZINC000178734785 496555505 /nfs/dbraw/zinc/55/55/05/496555505.db2.gz HVYOQAROHXLSPY-XLIONFOSSA-N 2 0 361.530 3.069 20 0 FGADRP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)NCc2ccccc2C[NH+](C)C(C)C)C1 ZINC000157825582 496563477 /nfs/dbraw/zinc/56/34/77/496563477.db2.gz AWTGYYNCSARVBG-IBGZPJMESA-N 2 0 374.573 3.304 20 0 FGADRP C[NH+](C)CCCCCCCNC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157831035 496564813 /nfs/dbraw/zinc/56/48/13/496564813.db2.gz RWQSQZDPXZNHAY-IBGZPJMESA-N 2 0 352.567 3.158 20 0 FGADRP c1ccc(-c2noc([C@@]34CCC[C@@H]3C[N@@H+](CC[C@H]3CCC[NH2+]C3)C4)n2)cc1 ZINC000569096148 505852055 /nfs/dbraw/zinc/85/20/55/505852055.db2.gz NQIAFIWHEJVCNR-SFGWALBWSA-N 2 0 366.509 3.480 20 0 FGADRP C[C@@H](Cn1cc(Br)cn1)[NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000157929008 496588147 /nfs/dbraw/zinc/58/81/47/496588147.db2.gz UYOADKHDJJBDAD-CABCVRRESA-N 2 0 357.340 3.136 20 0 FGADRP CC[C@@H](C(=O)N(C)C[C@H]1CC[N@H+](Cc2ccc(C)s2)C1)[NH+](CC)CC ZINC000571953277 505853965 /nfs/dbraw/zinc/85/39/65/505853965.db2.gz OILQMCWWBMJPIC-MJGOQNOKSA-N 2 0 365.587 3.457 20 0 FGADRP COc1ccc([C@H](C[NH3+])CN(C)C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000578073520 505855495 /nfs/dbraw/zinc/85/54/95/505855495.db2.gz OGVMQPTTYCGFRQ-OAQYLSRUSA-N 2 0 367.537 3.334 20 0 FGADRP C[C@@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000158089882 496625568 /nfs/dbraw/zinc/62/55/68/496625568.db2.gz OCXIYGRTKZUUJX-DOTOQJQBSA-N 2 0 351.922 3.008 20 0 FGADRP c1cc([C@H]2CCC[NH+]2CCOCC[N@@H+]2CCC[C@@H]2c2ccncc2)ccn1 ZINC000153935914 496629402 /nfs/dbraw/zinc/62/94/02/496629402.db2.gz IWFQBOOOXZWIJE-FGZHOGPDSA-N 2 0 366.509 3.467 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)CC2CC[NH2+]CC2)C1 ZINC000164845923 496636188 /nfs/dbraw/zinc/63/61/88/496636188.db2.gz MLERKNRHTSETOK-HDICACEKSA-N 2 0 357.542 3.170 20 0 FGADRP C[C@@H]1CC[C@H]([NH2+]Cc2cccc(C[NH+]3CCCC3)c2)[C@@H](n2cncn2)C1 ZINC000574790362 505856296 /nfs/dbraw/zinc/85/62/96/505856296.db2.gz IKXURRYRXYVVFZ-QMMLZNLJSA-N 2 0 353.514 3.393 20 0 FGADRP O=C([C@H]1CCCC[N@@H+]1Cc1ccccc1)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000173310938 496637242 /nfs/dbraw/zinc/63/72/42/496637242.db2.gz SCQLRMZBTRYQRB-FGZHOGPDSA-N 2 0 369.553 3.376 20 0 FGADRP CC(C)[N@H+]1[C@@H]2CC[C@H]1CCN(C(=O)NC[C@@H](c1cccs1)[NH+](C)C)C2 ZINC000173365177 496660672 /nfs/dbraw/zinc/66/06/72/496660672.db2.gz ZAQBGFMNUQHXMG-BBWFWOEESA-N 2 0 364.559 3.008 20 0 FGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+][C@@H](C)c2ccc(NC(C)=O)cc2)[C@H](C)C1 ZINC000182082675 496663406 /nfs/dbraw/zinc/66/34/06/496663406.db2.gz RBTGVCJTVDZCBB-LLGFUMIMSA-N 2 0 361.530 3.433 20 0 FGADRP C[N@@H+]1CC[C@@H](NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)[C@H]1c1ccccc1 ZINC000179093057 496672248 /nfs/dbraw/zinc/67/22/48/496672248.db2.gz BXPHPYJJPGRYAX-QZTJIDSGSA-N 2 0 358.530 3.040 20 0 FGADRP CCC[N@H+](CC)C[C@@H](C)NC(=O)NC[C@@H](c1ccc(C)o1)[NH+]1CCCC1 ZINC000574804638 505859082 /nfs/dbraw/zinc/85/90/82/505859082.db2.gz OAFMIFLAJVIZFV-AEFFLSMTSA-N 2 0 364.534 3.145 20 0 FGADRP CC(C)[NH+](CCNC(=O)NC1CC[NH+](C2CCCCC2)CC1)C(C)C ZINC000176139224 496699661 /nfs/dbraw/zinc/69/96/61/496699661.db2.gz OOOPJDJKRMSFLN-UHFFFAOYSA-N 2 0 352.567 3.202 20 0 FGADRP CS(=O)(=O)[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000182243626 496718580 /nfs/dbraw/zinc/71/85/80/496718580.db2.gz KUAWGWXVICBEBR-VQTJNVASSA-N 2 0 364.555 3.118 20 0 FGADRP C[C@@H]([NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1cnn(Cc2ccccc2)c1 ZINC000247016077 496752881 /nfs/dbraw/zinc/75/28/81/496752881.db2.gz MPFHZTOMJPLNGG-HSALFYBXSA-N 2 0 370.541 3.471 20 0 FGADRP CC(C)N(CC[NH+](C)C)C(=O)N[C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000247019997 496754125 /nfs/dbraw/zinc/75/41/25/496754125.db2.gz XWUZYHWABVZZSP-KXTWHKPSSA-N 2 0 374.573 3.125 20 0 FGADRP Cn1c2cc(Br)ccc2nc1CN1CCC[C@@H]([NH+](C)C)CC1 ZINC000277406185 496762724 /nfs/dbraw/zinc/76/27/24/496762724.db2.gz ZSQQBTXTZUEDTO-CQSZACIVSA-N 2 0 365.319 3.252 20 0 FGADRP COc1cc([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](C(C)C)C2)cc(OC)c1OC ZINC000247054958 496764565 /nfs/dbraw/zinc/76/45/65/496764565.db2.gz PDRMLQNCGVYKHP-HZPDHXFCSA-N 2 0 350.503 3.483 20 0 FGADRP COc1cccc2c1CCC[C@@H]2[NH2+]Cc1ccnc(OCC[NH+](C)C)c1 ZINC000194940134 496768408 /nfs/dbraw/zinc/76/84/08/496768408.db2.gz ZZEWLWBZFBAVCZ-IBGZPJMESA-N 2 0 355.482 3.198 20 0 FGADRP C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)NCC2CC[NH+](C)CC2)c1 ZINC000194941473 496769024 /nfs/dbraw/zinc/76/90/24/496769024.db2.gz BZEOOQZATHPETR-UHFFFAOYSA-N 2 0 365.521 3.390 20 0 FGADRP Cc1c([C@@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CC[C@H](O)C2)cnn1C(C)(C)C ZINC000191492098 496782044 /nfs/dbraw/zinc/78/20/44/496782044.db2.gz UAXKAHVWJSTFID-UZLBHIALSA-N 2 0 370.541 3.364 20 0 FGADRP COc1ccc2c(c1)[C@@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)CCS2 ZINC000191510526 496791122 /nfs/dbraw/zinc/79/11/22/496791122.db2.gz DGXGQOWQOSUYCD-IBGZPJMESA-N 2 0 363.571 3.095 20 0 FGADRP CC(C)[NH+]1CCN(CCC[N@H+](C)[C@@H]2CCCN(c3ccccc3)C2)CC1 ZINC000191528159 496799479 /nfs/dbraw/zinc/79/94/79/496799479.db2.gz QSRWPCXIFNGTRU-JOCHJYFZSA-N 2 0 358.574 3.003 20 0 FGADRP CC(C)[NH+]1CCN(CCC[NH+]2CCC(N(C)c3ccccc3)CC2)CC1 ZINC000191542002 496804458 /nfs/dbraw/zinc/80/44/58/496804458.db2.gz BRTZFGAUUCDRMU-UHFFFAOYSA-N 2 0 358.574 3.003 20 0 FGADRP CN1CCN(C)[C@@H](C[NH2+][C@@H]2CCCc3nc(-c4ccccc4)sc32)C1 ZINC000268866224 496809246 /nfs/dbraw/zinc/80/92/46/496809246.db2.gz FKVDZSCPRSBMTB-DLBZAZTESA-N 2 0 356.539 3.023 20 0 FGADRP C[C@@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)[NH+]1CCCCCC1 ZINC000247224421 496809574 /nfs/dbraw/zinc/80/95/74/496809574.db2.gz RMZASWFNNBIZFW-SVFBPWRDSA-N 2 0 357.542 3.420 20 0 FGADRP C[C@H](CC(=O)Nc1cccnc1Cl)[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000268877555 496811986 /nfs/dbraw/zinc/81/19/86/496811986.db2.gz FBMRHNDQEUHZOW-CYBMUJFWSA-N 2 0 350.894 3.059 20 0 FGADRP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCN(c3ccc(Br)cc3)C2)CC[N@@H+]1C ZINC000247240616 496812637 /nfs/dbraw/zinc/81/26/37/496812637.db2.gz YXXZQEPYVSBECA-BFYDXBDKSA-N 2 0 366.347 3.348 20 0 FGADRP C[C@@H]([NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(-n2cncn2)cc1 ZINC000195134443 496830634 /nfs/dbraw/zinc/83/06/34/496830634.db2.gz GDGJNBQPUYRTAG-QUCCMNQESA-N 2 0 361.493 3.440 20 0 FGADRP C[NH+]1CCC(O)(C[NH2+][C@@H]2CCSc3ccc(Br)cc32)CC1 ZINC000268950311 496831952 /nfs/dbraw/zinc/83/19/52/496831952.db2.gz CEGQKRWSERGPQJ-CQSZACIVSA-N 2 0 371.344 3.032 20 0 FGADRP CC[NH+](CC)CCCNC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000247320837 496834583 /nfs/dbraw/zinc/83/45/83/496834583.db2.gz HZWNWDRQKBWUMF-FPOVZHCZSA-N 2 0 374.573 3.413 20 0 FGADRP CC[N@H+](C)C[C@H]1CCN(C(=O)NC2CC[NH+]([C@H](C)c3ccccc3)CC2)C1 ZINC000247324576 496835376 /nfs/dbraw/zinc/83/53/76/496835376.db2.gz LTDOROZUKUZTET-RTBURBONSA-N 2 0 372.557 3.195 20 0 FGADRP Cc1ccc2c(c1)[C@@H]([NH2+]C1C[C@H]3CC[C@@H](C1)N3CC(=O)N(C)C)CCC2 ZINC000572024441 505871937 /nfs/dbraw/zinc/87/19/37/505871937.db2.gz JYGNTAKOMDEZRG-QYYYHEGRSA-N 2 0 355.526 3.046 20 0 FGADRP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)[C@H](C)[C@@H]([NH3+])c1ccccc1 ZINC000269243204 496903498 /nfs/dbraw/zinc/90/34/98/496903498.db2.gz CHUWGXSEMLGQDU-DYESRHJHSA-N 2 0 366.509 3.021 20 0 FGADRP O=C(NC[C@H]1CCCC[N@@H+]1Cc1ccccc1)C1CC[NH+](C2CC2)CC1 ZINC000195388982 496909555 /nfs/dbraw/zinc/90/95/55/496909555.db2.gz QCFFBGZHOFAYBB-OAQYLSRUSA-N 2 0 355.526 3.032 20 0 FGADRP O=C(N1CCC[C@H](C[NH+]2CCCCCC2)C1)[C@@]1(c2ccccc2)CC[NH2+]C1 ZINC000572033510 505873912 /nfs/dbraw/zinc/87/39/12/505873912.db2.gz KJESHRYVTDBOCP-OFNKIYASSA-N 2 0 369.553 3.032 20 0 FGADRP C[C@@H]1CN(Cc2ccccn2)CC[C@H]1[NH2+]C[C@@H](c1ccccc1)N(C)C ZINC000247977960 496937445 /nfs/dbraw/zinc/93/74/45/496937445.db2.gz LSKQQWZAQDHPPH-QIJUGHKUSA-N 2 0 352.526 3.185 20 0 FGADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H]1C[C@@H](C)c2c1cccc2Br ZINC000247986005 496938093 /nfs/dbraw/zinc/93/80/93/496938093.db2.gz IUQQWSIOJDMWTO-CKEIUWERSA-N 2 0 366.347 3.223 20 0 FGADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H]1C[C@H](C)c2c1cccc2Br ZINC000247986014 496938676 /nfs/dbraw/zinc/93/86/76/496938676.db2.gz IUQQWSIOJDMWTO-VBQJREDUSA-N 2 0 366.347 3.223 20 0 FGADRP C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)[C@H]1c1ccccc1 ZINC000248035721 496945001 /nfs/dbraw/zinc/94/50/01/496945001.db2.gz LESCQYBXQRKXJK-HLAWJBBLSA-N 2 0 355.526 3.203 20 0 FGADRP Cc1nc(-c2cccnc2)sc1[C@@H](C)[NH2+]CCCC[N@@H+]1CCC[C@H]1CO ZINC000248155062 496965592 /nfs/dbraw/zinc/96/55/92/496965592.db2.gz RFVKTOMOPCOLHK-QAPCUYQASA-N 2 0 374.554 3.401 20 0 FGADRP C[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CC[C@@H](Cc4ccccc4)C3)cn2)CC1 ZINC000189028622 496983669 /nfs/dbraw/zinc/98/36/69/496983669.db2.gz UUFDVHAQTNNUPH-RBBKRZOGSA-N 2 0 364.537 3.334 20 0 FGADRP C[C@H](CCNC(=O)c1ccc(CC[NH+](C)C)cc1)[N@H+](C)Cc1ccccc1 ZINC000580961149 505877844 /nfs/dbraw/zinc/87/78/44/505877844.db2.gz KWVDCWAKMJAMMI-LJQANCHMSA-N 2 0 367.537 3.431 20 0 FGADRP CN(c1ccccc1C[NH2+][C@H]1CCO[C@@H](C2CC2)C1)C1CC[NH+](C)CC1 ZINC000248388349 496990512 /nfs/dbraw/zinc/99/05/12/496990512.db2.gz DNCJQJFLWZULKL-SIKLNZKXSA-N 2 0 357.542 3.264 20 0 FGADRP C[NH+](C)CCC1CCN(C(=O)c2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000264871036 497001543 /nfs/dbraw/zinc/00/15/43/497001543.db2.gz GTBUBSFZTCCAOJ-UHFFFAOYSA-N 2 0 357.542 3.476 20 0 FGADRP C[C@@H]1C[NH+](CCCC[NH2+]Cc2cnn(Cc3ccc(F)cc3)c2)C[C@@H](C)O1 ZINC000189093422 497005948 /nfs/dbraw/zinc/00/59/48/497005948.db2.gz SBAUAQQWDCCCKT-QZTJIDSGSA-N 2 0 374.504 3.050 20 0 FGADRP CN(CCC(=O)NCC1([N@H+](C)Cc2ccccc2)CCC1)c1cc[nH+]cc1 ZINC000574901193 505879349 /nfs/dbraw/zinc/87/93/49/505879349.db2.gz XABZZWVKQBFOQF-UHFFFAOYSA-N 2 0 366.509 3.079 20 0 FGADRP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+]1CCCC[C@@H](C)C1 ZINC000248566670 497042347 /nfs/dbraw/zinc/04/23/47/497042347.db2.gz OZTGZOCRVXKYMN-RTBURBONSA-N 2 0 357.542 3.278 20 0 FGADRP C(=C/C[NH+]1CCC([C@@H]2CCCO2)CC1)\C[NH+]1CCC([C@@H]2CCCO2)CC1 ZINC000189202844 497042916 /nfs/dbraw/zinc/04/29/16/497042916.db2.gz VYHCKJDPWCDPCH-HNSCLNPNSA-N 2 0 362.558 3.325 20 0 FGADRP Cc1c([C@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CC[C@@H](O)C2)cnn1C(C)(C)C ZINC000248723831 497089511 /nfs/dbraw/zinc/08/95/11/497089511.db2.gz UAXKAHVWJSTFID-OXJNMPFZSA-N 2 0 370.541 3.364 20 0 FGADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)NC[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000248795610 497105532 /nfs/dbraw/zinc/10/55/32/497105532.db2.gz YTTQYTTYBLZRCV-NHCUHLMSSA-N 2 0 372.557 3.072 20 0 FGADRP COC(=O)C1CCC([NH2+]Cc2ccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc2)CC1 ZINC000192438559 497114357 /nfs/dbraw/zinc/11/43/57/497114357.db2.gz RWGGICLSIKZNOQ-AMZMEHNNSA-N 2 0 374.525 3.117 20 0 FGADRP Cc1ccc2cc(C[NH2+]Cc3ccccc3C[N@@H+]3CC[C@@H](O)C3)ccc2n1 ZINC000189427467 497114919 /nfs/dbraw/zinc/11/49/19/497114919.db2.gz HCTFVLMIOARDNP-JOCHJYFZSA-N 2 0 361.489 3.400 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCc3c(cccc3OC)C2)[C@H](C)C1 ZINC000192442668 497115495 /nfs/dbraw/zinc/11/54/95/497115495.db2.gz PAKILKUYEVJOKF-QFUCXCTJSA-N 2 0 360.542 3.279 20 0 FGADRP CCC1CCC([NH2+]Cc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)CC1 ZINC000236663248 497128385 /nfs/dbraw/zinc/12/83/85/497128385.db2.gz WQYXRXZUODYMGH-TWMPVWRBSA-N 2 0 357.542 3.442 20 0 FGADRP CC1(C)CCC([NH2+]Cc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)CC1 ZINC000236743282 497140700 /nfs/dbraw/zinc/14/07/00/497140700.db2.gz SWPKRSLXQUZXPF-IBGZPJMESA-N 2 0 357.542 3.442 20 0 FGADRP CCC[NH+]1CCN(c2ccccc2C[NH2+]C[C@@]2(C)CCCC[C@H]2O)CC1 ZINC000236801459 497147535 /nfs/dbraw/zinc/14/75/35/497147535.db2.gz LOYGTDUZIJUKSU-FGZHOGPDSA-N 2 0 359.558 3.249 20 0 FGADRP Cc1cccc(OC[C@H](O)C[NH2+][C@H]2CCN(C)[C@H](c3ccccc3)C2)c1 ZINC000569242992 505887473 /nfs/dbraw/zinc/88/74/73/505887473.db2.gz FVTPIUMUYVYPAF-VWPQPMDRSA-N 2 0 354.494 3.160 20 0 FGADRP C[C@@H]1C[C@H](N(C)C(=O)C2CC[NH+](C3CC3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000192582423 497156442 /nfs/dbraw/zinc/15/64/42/497156442.db2.gz KSKLUITWIFSOGF-XMSQKQJNSA-N 2 0 369.553 3.372 20 0 FGADRP CC[NH+](CC)CCN(Cc1ccccc1)C(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000236864397 497159187 /nfs/dbraw/zinc/15/91/87/497159187.db2.gz HZIUVFMSOKUMMU-SEJPIABJSA-N 2 0 357.542 3.278 20 0 FGADRP CC[N@H+](C)Cc1cccc(CNC(=O)C2(c3ccccc3)CC[NH2+]CC2)c1 ZINC000236880008 497161216 /nfs/dbraw/zinc/16/12/16/497161216.db2.gz JIYRVDPEHDYYMS-UHFFFAOYSA-N 2 0 365.521 3.076 20 0 FGADRP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C[C@@H](C)C1CC[NH2+]CC1 ZINC000236895245 497164965 /nfs/dbraw/zinc/16/49/65/497164965.db2.gz VRIZSFKEYWYDGX-TZIWHRDSSA-N 2 0 371.569 3.383 20 0 FGADRP COc1ccc(-c2ccncc2)cc1C[NH2+]CC1(O)CC[NH+](C(C)C)CC1 ZINC000274793132 497167565 /nfs/dbraw/zinc/16/75/65/497167565.db2.gz MWLRTNLTCCNGSN-UHFFFAOYSA-N 2 0 369.509 3.082 20 0 FGADRP CCCC[C@H](C[NH3+])NC(=O)[C@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000236921530 497168933 /nfs/dbraw/zinc/16/89/33/497168933.db2.gz WVKZYXFXQUMTRK-AEFFLSMTSA-N 2 0 371.447 3.075 20 0 FGADRP C[NH+](C)CCOc1ccc(CC[NH2+]Cc2ncc(C(F)(F)F)s2)cc1 ZINC000278628553 497172519 /nfs/dbraw/zinc/17/25/19/497172519.db2.gz KJZMBBFFEMQJGM-UHFFFAOYSA-N 2 0 373.444 3.435 20 0 FGADRP C[NH+](C)CCOc1ccc(NC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)cc1Cl ZINC000236975101 497174398 /nfs/dbraw/zinc/17/43/98/497174398.db2.gz XZJPCNMRTNBIGH-JQFCIGGWSA-N 2 0 365.905 3.140 20 0 FGADRP C[C@H]([NH2+][C@@H]1CCC[C@@H](C(=O)N(C)C)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274911331 497197580 /nfs/dbraw/zinc/19/75/80/497197580.db2.gz NFQXQIJJGTYZQD-OYNPSCLESA-N 2 0 357.542 3.134 20 0 FGADRP COc1ccccc1[C@H](CNC(=O)C[C@H]([NH3+])c1ccccc1)[NH+]1CCCC1 ZINC000237257683 497211273 /nfs/dbraw/zinc/21/12/73/497211273.db2.gz YPWANWBWTXLENA-PMACEKPBSA-N 2 0 367.493 3.038 20 0 FGADRP CCCOc1ccc2c(c1)CC[N@@H+](CCCN1CC[NH+](C(C)C)CC1)C2 ZINC000192774778 497211341 /nfs/dbraw/zinc/21/13/41/497211341.db2.gz QQLBJHJIYYMPSJ-UHFFFAOYSA-N 2 0 359.558 3.250 20 0 FGADRP c1c(CC[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)nc2n1CCS2 ZINC000278762634 497213186 /nfs/dbraw/zinc/21/31/86/497213186.db2.gz OSTDVJUKCHHONA-ACDBMABISA-N 2 0 368.550 3.317 20 0 FGADRP C[C@@H](CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)C1CC[NH2+]CC1 ZINC000237385950 497229696 /nfs/dbraw/zinc/22/96/96/497229696.db2.gz HXYOJEJKEFOHFE-INIZCTEOSA-N 2 0 361.555 3.200 20 0 FGADRP CCN(CCC[NH+](C)C)C(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000189760980 497235075 /nfs/dbraw/zinc/23/50/75/497235075.db2.gz SDUGTPCSAKQQCL-WMZOPIPTSA-N 2 0 366.575 3.114 20 0 FGADRP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+]1CCC[C@H](C)CC1 ZINC000249819213 497250058 /nfs/dbraw/zinc/25/00/58/497250058.db2.gz DZQDSBJCOZESET-RBUKOAKNSA-N 2 0 357.542 3.278 20 0 FGADRP O=C(c1ccc(C[NH+]2CCCC2)cc1)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000266163922 497271507 /nfs/dbraw/zinc/27/15/07/497271507.db2.gz PMLSTPGNRIVSEK-FQEVSTJZSA-N 2 0 355.526 3.230 20 0 FGADRP C[C@@H](C(=O)Nc1nc(CN2CCCCC2)cs1)[C@H]([NH3+])c1ccccc1 ZINC000237730990 497283181 /nfs/dbraw/zinc/28/31/81/497283181.db2.gz JTIAXHVVICTVPN-PBHICJAKSA-N 2 0 358.511 3.404 20 0 FGADRP CNC(=O)c1cccc(C[NH2+]C2[C@H](C)C[NH+](Cc3ccccc3)C[C@H]2C)c1 ZINC000189957509 497306058 /nfs/dbraw/zinc/30/60/58/497306058.db2.gz FUTGDMOFPUQDKP-QZTJIDSGSA-N 2 0 365.521 3.292 20 0 FGADRP C[C@@H](NC(=O)N(C)CC1([NH+](C)C)CCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000275392090 497310978 /nfs/dbraw/zinc/31/09/78/497310978.db2.gz COSIKWBHCREUHU-UYAOXDASSA-N 2 0 372.557 3.023 20 0 FGADRP [NH3+][C@H](CCC(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1)c1ccccc1 ZINC000237926463 497314876 /nfs/dbraw/zinc/31/48/76/497314876.db2.gz AGANJRYKJXTELD-NHCUHLMSSA-N 2 0 351.494 3.247 20 0 FGADRP O=C(CCC1CC[NH2+]CC1)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000237961416 497319750 /nfs/dbraw/zinc/31/97/50/497319750.db2.gz BTXQOJXGTNUMSC-UHFFFAOYSA-N 2 0 357.542 3.459 20 0 FGADRP [NH3+]CCCCCCC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000237981393 497323134 /nfs/dbraw/zinc/32/31/34/497323134.db2.gz JGPKTKWYGWLWOB-UHFFFAOYSA-N 2 0 351.922 3.330 20 0 FGADRP C/C(=C/c1ccccc1)C[NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000255319623 497364058 /nfs/dbraw/zinc/36/40/58/497364058.db2.gz ZKUQZIOQKGWPEZ-SDXDJHTJSA-N 2 0 351.494 3.171 20 0 FGADRP CC1(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)CC[NH+](Cc2ccccc2)CC1 ZINC000275607883 497379738 /nfs/dbraw/zinc/37/97/38/497379738.db2.gz FUZYLNJWLNMMBN-PMACEKPBSA-N 2 0 355.526 3.032 20 0 FGADRP CC[NH+](CC)CCCNC(=O)C1CC[NH+](Cc2ccc(C)cc2C)CC1 ZINC000578282880 505903682 /nfs/dbraw/zinc/90/36/82/505903682.db2.gz XZOGRWVEXJGGSU-UHFFFAOYSA-N 2 0 359.558 3.364 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)CC(=O)Nc2cc(C)c(Cl)cc2OC)[C@@H](C)C1 ZINC000245424515 497397716 /nfs/dbraw/zinc/39/77/16/497397716.db2.gz KDOCJDKORXASOS-YOEHRIQHSA-N 2 0 367.921 3.258 20 0 FGADRP CCCN(CCC[NH+](C)C)C(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000190211763 497401344 /nfs/dbraw/zinc/40/13/44/497401344.db2.gz UPTHUHFDENMWNO-ZWKOTPCHSA-N 2 0 352.567 3.013 20 0 FGADRP Clc1oc2ccccc2c1C[NH+]1CCC(c2nnc3n2CCNC3)CC1 ZINC000261611369 497418609 /nfs/dbraw/zinc/41/86/09/497418609.db2.gz ABRIDQRHHDTCEB-UHFFFAOYSA-N 2 0 371.872 3.161 20 0 FGADRP CC[C@@H](C(=O)NC[C@@H](c1ccsc1)[NH+](C)C)[N@H+](C)Cc1ccccc1 ZINC000572170477 505906276 /nfs/dbraw/zinc/90/62/76/505906276.db2.gz SMLXDJSNYJPEFH-OALUTQOASA-N 2 0 359.539 3.378 20 0 FGADRP Cc1ccc([C@H](CCn2cncn2)[NH2+]C[C@H]2CCC[N@@H+](C(C)C)C2)cc1 ZINC000275845505 497444849 /nfs/dbraw/zinc/44/48/49/497444849.db2.gz KCURCLRCEAMYQY-CTNGQTDRSA-N 2 0 355.530 3.428 20 0 FGADRP C[NH2+]CCc1ccccc1C(=O)N[C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261754400 497445482 /nfs/dbraw/zinc/44/54/82/497445482.db2.gz NGPBVFHUCFETES-NQIIRXRSSA-N 2 0 365.521 3.089 20 0 FGADRP CCN1CC[C@H](NC(=O)C[N@H+](C)C(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245580057 497464183 /nfs/dbraw/zinc/46/41/83/497464183.db2.gz GSISTPGQCXZWNK-FUHWJXTLSA-N 2 0 355.885 3.071 20 0 FGADRP C[C@]1(C[NH3+])CC[N@H+](CCC(=O)N[C@H](c2cccs2)c2ccccc2)C1 ZINC000261896486 497471003 /nfs/dbraw/zinc/47/10/03/497471003.db2.gz WAUHOHJTQXLOCT-VQTJNVASSA-N 2 0 357.523 3.015 20 0 FGADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)N2CCC(C[NH+]3CCCC3)CC2)C1 ZINC000193762354 497472398 /nfs/dbraw/zinc/47/23/98/497472398.db2.gz QNUSPAGKPQBYDZ-LJQANCHMSA-N 2 0 364.578 3.016 20 0 FGADRP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)[C@H]2CC23CC[NH2+]CC3)C1 ZINC000261904165 497472715 /nfs/dbraw/zinc/47/27/15/497472715.db2.gz FLAKUQLPBYAPPE-DBXWQHBBSA-N 2 0 369.553 3.170 20 0 FGADRP C[C@@H]1CC[N@@H+]([C@H]2CCCN(c3ccccc3F)C2=O)C[C@@H]1n1ccnc1 ZINC000245611909 497474148 /nfs/dbraw/zinc/47/41/48/497474148.db2.gz OGMUMTHAQJGQSD-MNEFBYGVSA-N 2 0 356.445 3.101 20 0 FGADRP O=C(Nc1ccc(-c2ncc3n2CCCC3)cc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000261949039 497481581 /nfs/dbraw/zinc/48/15/81/497481581.db2.gz PCDVJGBPTJWXII-SFHVURJKSA-N 2 0 350.466 3.215 20 0 FGADRP CCN(C(=O)[C@@H]1CC12CC[NH2+]CC2)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000261987050 497488024 /nfs/dbraw/zinc/48/80/24/497488024.db2.gz XMFMUNOFAGGYKW-HOJAQTOUSA-N 2 0 355.526 3.060 20 0 FGADRP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+][C@H]2CCN(c4ccccn4)C2)C3)cc1 ZINC000245670572 497495814 /nfs/dbraw/zinc/49/58/14/497495814.db2.gz HHEFVXZJJJAXOS-KJJMTIBFSA-N 2 0 362.521 3.446 20 0 FGADRP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCC(C[NH+]3CCCC3)CC2)C1 ZINC000193872905 497508826 /nfs/dbraw/zinc/50/88/26/497508826.db2.gz IHYOFTBBCKBEJB-SFHVURJKSA-N 2 0 364.578 3.014 20 0 FGADRP O=C(N[C@H]1CCC[N@H+](CC2CC[NH2+]CC2)C1)c1ccc2ccccc2c1 ZINC000262118007 497510355 /nfs/dbraw/zinc/51/03/55/497510355.db2.gz BTCPLRFJZQDDPV-NRFANRHFSA-N 2 0 351.494 3.034 20 0 FGADRP CC[NH+]1CCN(CCC[NH2+][C@H]2CCc3ccc(Br)cc32)CC1 ZINC000193974394 497537017 /nfs/dbraw/zinc/53/70/17/497537017.db2.gz QYKUXPURLVUXOS-SFHVURJKSA-N 2 0 366.347 3.054 20 0 FGADRP CCC[N@@H+]1CC[C@H](CNC(=O)NCC(C)(C)[NH2+][C@H](C)c2ccccc2)C1 ZINC000245806228 497543522 /nfs/dbraw/zinc/54/35/22/497543522.db2.gz METSPRBWRLLYNA-QZTJIDSGSA-N 2 0 360.546 3.147 20 0 FGADRP CNC(=O)c1ccc(C[NH2+][C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000272137035 497545339 /nfs/dbraw/zinc/54/53/39/497545339.db2.gz ARHWQELWLHQUOI-LAUBAEHRSA-N 2 0 351.494 3.046 20 0 FGADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])C1 ZINC000262394112 497549419 /nfs/dbraw/zinc/54/94/19/497549419.db2.gz ZCJKYPOTVTUFPH-LKRQXQHHSA-N 2 0 355.526 3.092 20 0 FGADRP Clc1ccc(Cl)c(SCC[N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)c1 ZINC000262442072 497556959 /nfs/dbraw/zinc/55/69/59/497556959.db2.gz GVNHBEPEYHBGMV-CQSZACIVSA-N 2 0 360.354 3.065 20 0 FGADRP CCN(C(=O)CN1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1)c1cccc2ccccc21 ZINC000578324103 505914848 /nfs/dbraw/zinc/91/48/48/505914848.db2.gz QUKPKTWQKHWKRR-SXLOBPIMSA-N 2 0 351.494 3.252 20 0 FGADRP c1nc(-c2ccccc2)sc1C[N@@H+]1CCC[C@@H](N2CCOCC2)CC1 ZINC000569355524 505915112 /nfs/dbraw/zinc/91/51/12/505915112.db2.gz PSQODDANJSWHGX-GOSISDBHSA-N 2 0 357.523 3.497 20 0 FGADRP Cc1ccc([C@H]([NH3+])C(=O)NC2CC[NH+]([C@H](C)c3ccccc3)CC2)cc1 ZINC000262603778 497581051 /nfs/dbraw/zinc/58/10/51/497581051.db2.gz AMSQZKDKTOTPTI-UTKZUKDTSA-N 2 0 351.494 3.337 20 0 FGADRP [NH3+]C1(C(=O)Nc2cccc(NC(=O)C[NH+]3CCCCCC3)c2)CCCCC1 ZINC000262624641 497586228 /nfs/dbraw/zinc/58/62/28/497586228.db2.gz AYEZWSARWTYGSM-UHFFFAOYSA-N 2 0 372.513 3.101 20 0 FGADRP C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)CC1 ZINC000262626371 497586460 /nfs/dbraw/zinc/58/64/60/497586460.db2.gz BVDUDOGCLOJXCP-BDTNDASRSA-N 2 0 369.553 3.278 20 0 FGADRP C[C@@H]1C[C@H]([NH2+]C[C@H](O)COc2ccc(-c3ccccc3)cc2)CC[N@@H+]1C ZINC000581126895 505916151 /nfs/dbraw/zinc/91/61/51/505916151.db2.gz FICFYIWAAPHXKR-UIFIKXQLSA-N 2 0 354.494 3.166 20 0 FGADRP C[C@H](NC(=O)c1ccc(C[NH+](C)C)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272300463 497589844 /nfs/dbraw/zinc/58/98/44/497589844.db2.gz PRNBJGDBXCQMQH-AVRDEDQJSA-N 2 0 365.521 3.389 20 0 FGADRP C[C@H](CCNC(=O)[C@@H](C)[C@H]([NH3+])c1ccccc1)[N@H+](C)Cc1ccccc1 ZINC000262649653 497590849 /nfs/dbraw/zinc/59/08/49/497590849.db2.gz QERQZIWDJLMTIF-LQWHRVPQSA-N 2 0 353.510 3.349 20 0 FGADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)[C@H](C)[C@H]([NH3+])c1ccccc1 ZINC000262659992 497594187 /nfs/dbraw/zinc/59/41/87/497594187.db2.gz FTAQLOHHQOOXHO-UTKZUKDTSA-N 2 0 353.510 3.479 20 0 FGADRP O=C(c1ccc2c(c1)CC[NH2+]CC2)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000276578767 497604595 /nfs/dbraw/zinc/60/45/95/497604595.db2.gz HUHMSQJLIPLXDZ-IBGZPJMESA-N 2 0 369.553 3.103 20 0 FGADRP C[NH+](C)CCCOc1ccc(C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)cc1 ZINC000246058368 497607193 /nfs/dbraw/zinc/60/71/93/497607193.db2.gz BFLHKYOSPHMASC-PWRODBHTSA-N 2 0 358.526 3.454 20 0 FGADRP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]CC1(O)CC[NH+](C(C)C)CC1)CC3 ZINC000272358885 497607230 /nfs/dbraw/zinc/60/72/30/497607230.db2.gz FDPXGHQALCGFJG-QGZVFWFLSA-N 2 0 355.526 3.159 20 0 FGADRP O[C@H](Cc1ccc(C(F)(F)F)cc1)C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246059653 497607658 /nfs/dbraw/zinc/60/76/58/497607658.db2.gz ARHIZGAMJDZELS-FUHWJXTLSA-N 2 0 356.432 3.027 20 0 FGADRP CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC000267764933 497613343 /nfs/dbraw/zinc/61/33/43/497613343.db2.gz UIOYVAZNBCEXRE-UHFFFAOYSA-N 2 0 373.463 3.485 20 0 FGADRP CCc1ccc([C@@H](CNC(=O)NC[C@@H]2CCC[N@H+](C)C2)[NH+](CC)CC)cc1 ZINC000572223218 505918390 /nfs/dbraw/zinc/91/83/90/505918390.db2.gz IOGBCBGPCPNKME-PZJWPPBQSA-N 2 0 374.573 3.273 20 0 FGADRP CCO[C@@H]1C[C@@]([NH3+])(C(=O)Nc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)C1(C)C ZINC000262803821 497624810 /nfs/dbraw/zinc/62/48/10/497624810.db2.gz SADPGGGOMOHIBL-DKZVUGQWSA-N 2 0 373.541 3.390 20 0 FGADRP C[C@@H](CNC(=O)N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1)C[NH+]1CCCC1 ZINC000246146820 497636928 /nfs/dbraw/zinc/63/69/28/497636928.db2.gz JZCRVDMBUVNADG-PMACEKPBSA-N 2 0 372.557 3.024 20 0 FGADRP CCN(C)c1ccc(C[NH2+]C[C@H]2CC[N@H+](CCc3ccccc3)C2)cn1 ZINC000190948554 497657152 /nfs/dbraw/zinc/65/71/52/497657152.db2.gz YJGOLCWGDUKJMV-OAQYLSRUSA-N 2 0 352.526 3.192 20 0 FGADRP CC[NH+](CC)Cc1ccc(CNC(=O)N(C)[C@H]2CC[N@H+](C)C[C@H]2C)cc1 ZINC000268037486 497664728 /nfs/dbraw/zinc/66/47/28/497664728.db2.gz WWEYGNBJGSQPCN-XLIONFOSSA-N 2 0 360.546 3.010 20 0 FGADRP CC1CC[NH+](C[C@@H]2CCCN(C(=O)c3sccc3C[NH+](C)C)C2)CC1 ZINC000268050841 497668204 /nfs/dbraw/zinc/66/82/04/497668204.db2.gz VHOKXNYWXABCLL-KRWDZBQOSA-N 2 0 363.571 3.394 20 0 FGADRP C[C@@H]([NH2+]Cc1cccc(C(=O)N(C)C)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272586056 497671047 /nfs/dbraw/zinc/67/10/47/497671047.db2.gz WSBJXCRWSOTLPH-GCJKJVERSA-N 2 0 365.521 3.389 20 0 FGADRP Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)[C@@](C)([NH3+])c1ccccc1 ZINC000262979562 497672073 /nfs/dbraw/zinc/67/20/73/497672073.db2.gz YNICPLLPPSNNHW-NRFANRHFSA-N 2 0 369.534 3.356 20 0 FGADRP CC[NH+]1CCC(C[NH2+][C@H](C)CCCCN2C(=O)c3ccccc3C2=O)CC1 ZINC000575113382 505923795 /nfs/dbraw/zinc/92/37/95/505923795.db2.gz YCWAXVIKGYAFAJ-QGZVFWFLSA-N 2 0 371.525 3.163 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N(C)[C@H]1CC[N@H+](CC)C[C@@H]1C)c1ccco1 ZINC000246369172 497709844 /nfs/dbraw/zinc/70/98/44/497709844.db2.gz HFDXRQWAJZELAB-OKZBNKHCSA-N 2 0 364.534 3.034 20 0 FGADRP C[C@@H](NC(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1)C1=CC[N@H+](C)CC1 ZINC000272721689 497712016 /nfs/dbraw/zinc/71/20/16/497712016.db2.gz JFJFWRQYMBPSJD-SJORKVTESA-N 2 0 358.530 3.065 20 0 FGADRP CC[NH+](CC)[C@H](C)CNC(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000246384028 497716002 /nfs/dbraw/zinc/71/60/02/497716002.db2.gz NDKVJMMQIDJWSP-QRVBRYPASA-N 2 0 352.567 3.013 20 0 FGADRP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)N[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000246393481 497719364 /nfs/dbraw/zinc/71/93/64/497719364.db2.gz SNLXBRZIFHLUJZ-ZFMNYDKASA-N 2 0 372.557 3.021 20 0 FGADRP C[C@]1([NH3+])CCCC[C@@H]1C(=O)N1CCCN(Cc2ccc(Cl)cc2)CC1 ZINC000263237870 497739651 /nfs/dbraw/zinc/73/96/51/497739651.db2.gz OGSZMGDNABTYGQ-QUCCMNQESA-N 2 0 363.933 3.282 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N2CCC[C@@H]([NH+](C)C)C2)cc1 ZINC000246500491 497754350 /nfs/dbraw/zinc/75/43/50/497754350.db2.gz TZELNWWDHFQUAI-WIYYLYMNSA-N 2 0 372.557 3.297 20 0 FGADRP C[C@]1([NH3+])CCCC[C@@H]1C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000263310249 497755205 /nfs/dbraw/zinc/75/52/05/497755205.db2.gz YLRXVWMQYKYJJI-QUCCMNQESA-N 2 0 361.555 3.124 20 0 FGADRP O[C@H](Cc1ccccc1C(F)(F)F)C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000246521253 497761412 /nfs/dbraw/zinc/76/14/12/497761412.db2.gz CEBWXGUOKOPKIC-FUHWJXTLSA-N 2 0 370.459 3.417 20 0 FGADRP C[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1)c1ccc(F)cc1 ZINC000246626169 497790987 /nfs/dbraw/zinc/79/09/87/497790987.db2.gz UVTRNGCKCLXNOJ-OXJNMPFZSA-N 2 0 369.484 3.374 20 0 FGADRP C[C@@H]([NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1cccc(N2CCCC2=O)c1 ZINC000246856738 497817105 /nfs/dbraw/zinc/81/71/05/497817105.db2.gz BSYUOYSJBOMWBN-CEXWTWQISA-N 2 0 373.541 3.353 20 0 FGADRP C[C@@H]1CCc2ccccc2N1C(=O)CN1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246877653 497818281 /nfs/dbraw/zinc/81/82/81/497818281.db2.gz QJRKSHDUODNYSV-SLYNCCJLSA-N 2 0 367.537 3.303 20 0 FGADRP COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+]C[C@@H](C(C)C)N2CC[NH+](C)CC2)cc1 ZINC000284597184 497839102 /nfs/dbraw/zinc/83/91/02/497839102.db2.gz ZZGROSYITKQECK-UPZYVNNASA-N 2 0 359.558 3.049 20 0 FGADRP CC[C@@H](NC(=O)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1)c1ccc(C)cc1 ZINC000364279809 497877218 /nfs/dbraw/zinc/87/72/18/497877218.db2.gz GVNZFLMTTHUNRF-LEWJYISDSA-N 2 0 372.557 3.256 20 0 FGADRP CC(C)[C@H](C[NH2+][C@H]1C[C@H](Oc2ccccc2)C1(C)C)N1CC[NH+](C)CC1 ZINC000575204884 505941756 /nfs/dbraw/zinc/94/17/56/505941756.db2.gz UCQALCPAOISOIP-ACRUOGEOSA-N 2 0 359.558 3.094 20 0 FGADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCC[C@@H]1c1c(C)nn(C)c1C ZINC000329757651 497891092 /nfs/dbraw/zinc/89/10/92/497891092.db2.gz NCNOKPIJQACHOY-LJQANCHMSA-N 2 0 350.470 3.263 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1cn(-c2ccccc2)nc1C ZINC000578470372 505946983 /nfs/dbraw/zinc/94/69/83/505946983.db2.gz BVCKQKHOJLCFPA-QFIPXVFZSA-N 2 0 369.557 3.029 20 0 FGADRP C[NH+]1CCN(Cc2ccc(C[NH2+][C@@H](c3cccnc3)C3CCC3)cc2)CC1 ZINC000280868230 497929249 /nfs/dbraw/zinc/92/92/49/497929249.db2.gz NONOYGBGTXAUGL-HSZRJFAPSA-N 2 0 364.537 3.460 20 0 FGADRP C[NH+]1CCC(C)(C[NH2+][C@H]2CCCN(C(=O)Oc3ccccc3)CC2)CC1 ZINC000284885179 497930811 /nfs/dbraw/zinc/93/08/11/497930811.db2.gz BOOXJRRYLHFSLP-SFHVURJKSA-N 2 0 359.514 3.361 20 0 FGADRP C[NH+](C)[C@H]1CCc2cc(NC(=O)N3CCc4ccccc4[C@@H]3C[NH3+])ccc21 ZINC000575311803 505958407 /nfs/dbraw/zinc/95/84/07/505958407.db2.gz YTMMPQFEVMUZQT-SFTDATJTSA-N 2 0 364.493 3.326 20 0 FGADRP C[C@@H]1C[N@@H+](CCCCNC(=O)CC[C@@H]([NH3+])CC2CCCCC2)C[C@H](C)O1 ZINC000575319210 505960626 /nfs/dbraw/zinc/96/06/26/505960626.db2.gz MAXGZFSQNAWQEM-WSTZPKSXSA-N 2 0 367.578 3.070 20 0 FGADRP C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000289074653 498005272 /nfs/dbraw/zinc/00/52/72/498005272.db2.gz NFBYUXARWBNAST-RXVVDRJESA-N 2 0 370.541 3.051 20 0 FGADRP C[C@@H](O)[C@](C)(C[NH2+][C@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@H]1C)Cc1ccccc1 ZINC000364586972 498037161 /nfs/dbraw/zinc/03/71/61/498037161.db2.gz ZCPXJUJXXPQRFY-XDOCFNAUSA-N 2 0 374.569 3.095 20 0 FGADRP C[N@H+](CCCN1CC[NH+](C)CC1)Cc1ccc(-c2c(F)cccc2F)o1 ZINC000572444839 505970555 /nfs/dbraw/zinc/97/05/55/505970555.db2.gz HMZKOXQUVMGQNI-UHFFFAOYSA-N 2 0 363.452 3.294 20 0 FGADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]Cc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000581364227 505971381 /nfs/dbraw/zinc/97/13/81/505971381.db2.gz LFJRCOWHXKERLD-DBQOQBPJSA-N 2 0 359.558 3.006 20 0 FGADRP C[C@@H](C(=O)N1CCSc2ccccc21)N1CCC[C@H](c2ncc[nH]2)C1 ZINC000330254355 498081449 /nfs/dbraw/zinc/08/14/49/498081449.db2.gz JLELJJGVHPYDIP-GJZGRUSLSA-N 2 0 356.495 3.117 20 0 FGADRP CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)c1ccc2c[nH+]cn2c1 ZINC000285519540 498116163 /nfs/dbraw/zinc/11/61/63/498116163.db2.gz GOVPELXVOPUGAX-UHFFFAOYSA-N 2 0 363.465 3.108 20 0 FGADRP OC[C@@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+][C@@H](c1cncc(F)c1)C1CC1 ZINC000281424318 498145350 /nfs/dbraw/zinc/14/53/50/498145350.db2.gz BXYQMXXQISXRQW-FCHUYYIVSA-N 2 0 369.484 3.418 20 0 FGADRP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)NCc2ccccc2C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000569675635 505990891 /nfs/dbraw/zinc/99/08/91/505990891.db2.gz FUHDLLNKWXDJAF-CMKODMSKSA-N 2 0 372.557 3.330 20 0 FGADRP C[C@H]([NH2+][C@H]1CCCO[C@@H]1c1nccn1C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000289585700 498204751 /nfs/dbraw/zinc/20/47/51/498204751.db2.gz IFWZCBCZMULQIX-VMXMFDLUSA-N 2 0 368.525 3.140 20 0 FGADRP C[C@@H]([NH2+]Cc1ccc(OCC[NH+](C)C)cc1)c1ccccc1-n1ccnn1 ZINC000285804617 498205433 /nfs/dbraw/zinc/20/54/33/498205433.db2.gz VLUXNPOTLZPSIW-QGZVFWFLSA-N 2 0 365.481 3.059 20 0 FGADRP Cc1ccc(NC(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])c(OCC[NH+](C)C)c1 ZINC000285822607 498211604 /nfs/dbraw/zinc/21/16/04/498211604.db2.gz TZOKOMSTWNGDIQ-HLVUACMISA-N 2 0 359.514 3.028 20 0 FGADRP COC[C@@]1(C)CC[NH+](Cc2ccccc2C[N@H+]2CC[C@](C)(COC)C2)C1 ZINC000296915528 498249869 /nfs/dbraw/zinc/24/98/69/498249869.db2.gz WMSMEDNKZVBMNH-VXKWHMMOSA-N 2 0 360.542 3.403 20 0 FGADRP Cc1ccc([C@H](CNC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)[NH+]2CCCC2)cc1 ZINC000296966950 498270579 /nfs/dbraw/zinc/27/05/79/498270579.db2.gz IHGCKVMUIPQUMF-VTHDOGFWSA-N 2 0 370.541 3.056 20 0 FGADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]C1CCN(Cc2coc(-c3ccccc3)n2)CC1 ZINC000578756746 506014023 /nfs/dbraw/zinc/01/40/23/506014023.db2.gz JOIHBIUTEGSDBB-YLJYHZDGSA-N 2 0 354.498 3.023 20 0 FGADRP COc1ccc2c(c1F)CC[C@@H]2[NH2+]Cc1ccncc1OCCC[NH+](C)C ZINC000289834749 498315250 /nfs/dbraw/zinc/31/52/50/498315250.db2.gz APOATGJQUVLILY-SFHVURJKSA-N 2 0 373.472 3.337 20 0 FGADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]C1CCN(Cc2coc(-c3ccccc3)n2)CC1 ZINC000578756745 506014410 /nfs/dbraw/zinc/01/44/10/506014410.db2.gz JOIHBIUTEGSDBB-XLIONFOSSA-N 2 0 354.498 3.023 20 0 FGADRP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+]Cc1ccnc(N2CCCCC2)c1 ZINC000360887701 498318705 /nfs/dbraw/zinc/31/87/05/498318705.db2.gz KLQOTHZFYOZJEG-HLAWJBBLSA-N 2 0 372.557 3.051 20 0 FGADRP O=C(NCc1ccc(C[NH+]2CCCC2)cc1)N1CCC(c2c[nH]cn2)CC1 ZINC000360898809 498320910 /nfs/dbraw/zinc/32/09/10/498320910.db2.gz GODUZYHAFVZXLX-UHFFFAOYSA-N 2 0 367.497 3.095 20 0 FGADRP C[N@@H+]1CCC[C@H](N2CC[NH+](CCCc3cccc4ccccc43)CC2)C1 ZINC000360960015 498327429 /nfs/dbraw/zinc/32/74/29/498327429.db2.gz OELVRYVWANPRMH-QFIPXVFZSA-N 2 0 351.538 3.484 20 0 FGADRP C[C@@H]1C[C@H](CC[NH2+]C[C@@H](O)COc2ccccc2)C[N@@H+]1Cc1ccccc1 ZINC000572594891 506006068 /nfs/dbraw/zinc/00/60/68/506006068.db2.gz ISFDZAKIFZDANY-BAGYTPMASA-N 2 0 368.521 3.317 20 0 FGADRP Cc1cc([C@@H](C)N[C@@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)nn1C ZINC000281974134 498340741 /nfs/dbraw/zinc/34/07/41/498340741.db2.gz BQFDFXIFFRLDBA-JKSUJKDBSA-N 2 0 359.493 3.031 20 0 FGADRP C[C@@H]([NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(Br)nc1 ZINC000289969638 498375778 /nfs/dbraw/zinc/37/57/78/498375778.db2.gz XJFKWRVNLWFSNH-QLFBSQMISA-N 2 0 370.335 3.384 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H](N[C@H](C)c2ccc(OC)c(O)c2)[C@H](C)C1 ZINC000289978542 498379446 /nfs/dbraw/zinc/37/94/46/498379446.db2.gz XSCVIMFWVTXIRP-NUJGCVRESA-N 2 0 350.503 3.188 20 0 FGADRP CSC1(C[NH2+]Cc2cc(Cl)c3c(c2)OCCCO3)CC[NH+](C)CC1 ZINC000578805317 506024426 /nfs/dbraw/zinc/02/44/26/506024426.db2.gz IKWPKLTYWAQMQO-UHFFFAOYSA-N 2 0 370.946 3.418 20 0 FGADRP O=C(c1cccc(CN2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@@H]3C2)c1)N1CCCCC1 ZINC000361479804 498397708 /nfs/dbraw/zinc/39/77/08/498397708.db2.gz XHJMVQNOEGYQIF-YPAWHYETSA-N 2 0 367.537 3.229 20 0 FGADRP COc1ccc(F)c(C[NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)c1 ZINC000293547355 498410948 /nfs/dbraw/zinc/41/09/48/498410948.db2.gz KSINILXJNWCSSX-UHFFFAOYSA-N 2 0 358.457 3.081 20 0 FGADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000297344667 498413649 /nfs/dbraw/zinc/41/36/49/498413649.db2.gz HLTLKEBMBVPYET-JOCHJYFZSA-N 2 0 372.557 3.154 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@@H]1CCn2c(cnc2-c2ccccc2)C1 ZINC000361685282 498418808 /nfs/dbraw/zinc/41/88/08/498418808.db2.gz MTONHLAJGSTDEZ-IEBWSBKVSA-N 2 0 366.509 3.103 20 0 FGADRP COc1cccc2cc([C@H](C)[NH2+][C@H]3CCN(C4CC[NH+](C)CC4)C3)oc21 ZINC000362032477 498455580 /nfs/dbraw/zinc/45/55/80/498455580.db2.gz MPFYADRTARSRFD-RDJZCZTQSA-N 2 0 357.498 3.261 20 0 FGADRP CC[N@H+](C)C[C@H]1CC[NH+](CCCCOc2c(OC)cccc2OC)C1 ZINC000290201354 498463210 /nfs/dbraw/zinc/46/32/10/498463210.db2.gz GQPCYKWBSXAAEP-QGZVFWFLSA-N 2 0 350.503 3.136 20 0 FGADRP Cn1cc(-c2ccc(C[NH2+]C3CC[NH+]([C@H]4CCCC[C@H]4O)CC3)s2)cn1 ZINC000282359677 498479965 /nfs/dbraw/zinc/47/99/65/498479965.db2.gz XINMYBYQIWKGIZ-RBUKOAKNSA-N 2 0 374.554 3.006 20 0 FGADRP COc1ccc([C@@H](OC)[C@H](C)[NH2+]C2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000297585708 498501794 /nfs/dbraw/zinc/50/17/94/498501794.db2.gz ITUWBDGXRUTCGZ-KKSFZXQISA-N 2 0 355.482 3.425 20 0 FGADRP C[C@H]([NH2+]C1(CNC(=O)N2CC[C@H]([NH3+])[C@H](C)C2)CCCC1)c1ccccc1 ZINC000569911924 506045913 /nfs/dbraw/zinc/04/59/13/506045913.db2.gz FSYBMWQRKVKTIH-AOIWGVFYSA-N 2 0 358.530 3.029 20 0 FGADRP CC[C@H]1CC[C@H](C)[N@@H+]1CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000578921156 506051707 /nfs/dbraw/zinc/05/17/07/506051707.db2.gz LMIBHEJEMUNLNW-RXVVDRJESA-N 2 0 357.542 3.339 20 0 FGADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+][C@H]1CCc2sc(Br)cc21 ZINC000293986251 498552807 /nfs/dbraw/zinc/55/28/07/498552807.db2.gz BRYXHNFIKZBJQL-JSGCOSHPSA-N 2 0 372.376 3.114 20 0 FGADRP CC(C)c1cc(NC[C@@H]2CCC[N@H+](C)C2)nc(NC[C@@H]2CCC[NH+](C)C2)n1 ZINC000302785717 498574062 /nfs/dbraw/zinc/57/40/62/498574062.db2.gz VSFNRMDIKKGAST-ROUUACIJSA-N 2 0 374.577 3.107 20 0 FGADRP COCCCn1nccc1C[NH2+]Cc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000282630134 498588694 /nfs/dbraw/zinc/58/86/94/498588694.db2.gz KCNQFUPVOJNQHC-LJQANCHMSA-N 2 0 370.541 3.441 20 0 FGADRP [NH3+]Cc1cn([C@@H]2CCC[N@H+](Cc3ccc(-c4ccc(Cl)cc4)o3)C2)nn1 ZINC000581773659 506065551 /nfs/dbraw/zinc/06/55/51/506065551.db2.gz KHRQQBAQOLAIOJ-QGZVFWFLSA-N 2 0 371.872 3.487 20 0 FGADRP C[C@@H](CNC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1)[NH+]1CCC[C@@H](C)C1 ZINC000303061322 498644320 /nfs/dbraw/zinc/64/43/20/498644320.db2.gz XOFQEMXJSNCCCK-DYXWJJEUSA-N 2 0 357.542 3.135 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc2c(cc(C)cc2C)[nH]1 ZINC000303127989 498649824 /nfs/dbraw/zinc/64/98/24/498649824.db2.gz OPFBZTYZEFLLIO-GOSISDBHSA-N 2 0 370.541 3.273 20 0 FGADRP COCCCn1nccc1C[NH2+]Cc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000282792116 498655800 /nfs/dbraw/zinc/65/58/00/498655800.db2.gz YPKQXFDHDJVSKR-UHFFFAOYSA-N 2 0 370.541 3.441 20 0 FGADRP CC(C)[NH2+]CCCNC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000572857716 506069550 /nfs/dbraw/zinc/06/95/50/506069550.db2.gz ROTQSHMIRFKFOI-ICSRJNTNSA-N 2 0 360.546 3.069 20 0 FGADRP Fc1ccc(C2OCCO2)c(Cl)c1CN[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000365835255 498661292 /nfs/dbraw/zinc/66/12/92/498661292.db2.gz DEBMHHSOPCVZAY-QWHCGFSZSA-N 2 0 354.853 3.241 20 0 FGADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]CCNc1ncc(C(F)(F)F)cc1Cl ZINC000572868545 506071131 /nfs/dbraw/zinc/07/11/31/506071131.db2.gz FZDPZORWSNBGCA-ZWNOBZJWSA-N 2 0 350.816 3.273 20 0 FGADRP Cc1noc(C[C@H]([NH2+]C2CCN(c3cc[nH+]cc3)CC2)c2ccccc2)n1 ZINC000298148229 498677134 /nfs/dbraw/zinc/67/71/34/498677134.db2.gz RGTCZNKXWUHQOC-FQEVSTJZSA-N 2 0 363.465 3.315 20 0 FGADRP C[C@@H]1c2ccccc2O[C@@H]1C[NH2+][C@H]1CCN(Cc2ccccn2)C[C@@H]1C ZINC000366018201 498735554 /nfs/dbraw/zinc/73/55/54/498735554.db2.gz SLKITSPPJWVFJA-KAULMNLWSA-N 2 0 351.494 3.446 20 0 FGADRP Cn1nccc1[C@H]1CCC[C@H]([NH2+]Cc2ccccc2OCC[NH+](C)C)C1 ZINC000366088528 498769165 /nfs/dbraw/zinc/76/91/65/498769165.db2.gz JJUWAWXORPHFQK-HKUYNNGSSA-N 2 0 356.514 3.177 20 0 FGADRP CCCCNC(=O)c1ccc(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000298466057 498780042 /nfs/dbraw/zinc/78/00/42/498780042.db2.gz OPIUVEWJUXUVQW-UHFFFAOYSA-N 2 0 366.509 3.370 20 0 FGADRP O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)[C@H]1CCn2c(cnc2C2CCCCC2)C1 ZINC000332827683 498806338 /nfs/dbraw/zinc/80/63/38/498806338.db2.gz MDOPCBOTQSMJNF-SXLOBPIMSA-N 2 0 370.541 3.236 20 0 FGADRP Cn1cc(C[NH2+]CC2CC[NH+](Cc3cccs3)CC2)c(C(F)F)n1 ZINC000291130670 498808619 /nfs/dbraw/zinc/80/86/19/498808619.db2.gz DWGQNXLSECEICV-UHFFFAOYSA-N 2 0 354.470 3.421 20 0 FGADRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@H]1CCS(=O)(=O)c2ccc(F)cc21 ZINC000324936321 498832489 /nfs/dbraw/zinc/83/24/89/498832489.db2.gz YZPVOVASBRWFEN-PBHICJAKSA-N 2 0 356.507 3.144 20 0 FGADRP COc1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1Cn1cccn1 ZINC000363543207 498870116 /nfs/dbraw/zinc/87/01/16/498870116.db2.gz FCFNTIHMONCVLA-PWIZWCRZSA-N 2 0 354.498 3.217 20 0 FGADRP C[C@@H]([NH2+][C@H]1CCOC2(CCC2)C1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000294990715 498872649 /nfs/dbraw/zinc/87/26/49/498872649.db2.gz HNXPZTBXJUYBLP-AEFFLSMTSA-N 2 0 361.505 3.330 20 0 FGADRP C[C@H](C(=O)NC1CC[NH+](Cc2cccs2)CC1)[C@@H]([NH3+])c1ccccc1 ZINC000366345460 498883953 /nfs/dbraw/zinc/88/39/53/498883953.db2.gz IYONORBJDARNKM-HNAYVOBHSA-N 2 0 357.523 3.165 20 0 FGADRP Cc1ccccc1[C@@H]([NH3+])C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000295174399 498931995 /nfs/dbraw/zinc/93/19/95/498931995.db2.gz LVWIDYAUXSZWEE-RKKYOWQMSA-N 2 0 363.505 3.307 20 0 FGADRP Cc1cccc(C[NH2+]Cc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)c1F ZINC000295171663 498932117 /nfs/dbraw/zinc/93/21/17/498932117.db2.gz LMPMCZFJVRSRGP-FQEVSTJZSA-N 2 0 369.484 3.121 20 0 FGADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@@H](C)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000288221505 498970305 /nfs/dbraw/zinc/97/03/05/498970305.db2.gz SBNWZRXGXVLEPQ-CMKODMSKSA-N 2 0 360.546 3.051 20 0 FGADRP Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@@H]2[NH2+]C[C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000579221260 506122553 /nfs/dbraw/zinc/12/25/53/506122553.db2.gz UDHMGEJQCWICHF-QGZVKYPTSA-N 2 0 364.555 3.187 20 0 FGADRP CC[NH+]1CCC(NC(=O)Nc2cccc(-c3ncc4n3CCCC4)c2)CC1 ZINC000291570547 498995326 /nfs/dbraw/zinc/99/53/26/498995326.db2.gz WIKNIHNJFLXZGU-UHFFFAOYSA-N 2 0 367.497 3.492 20 0 FGADRP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+][C@H]3CC[C@@H](C(=O)N4CCCC4)C3)CC2)C1 ZINC000366662492 499022898 /nfs/dbraw/zinc/02/28/98/499022898.db2.gz FTPDBBKYUFDXHE-RMVXJAJNSA-N 2 0 361.574 3.410 20 0 FGADRP C[NH+](C)[C@@H](CNC(=O)CC1CC[NH+](C)CC1)c1cccc(C(F)(F)F)c1 ZINC000291663373 499028391 /nfs/dbraw/zinc/02/83/91/499028391.db2.gz KXZMLBNHCIAZBK-KRWDZBQOSA-N 2 0 371.447 3.156 20 0 FGADRP COc1cc2[nH+]ccc(N3C[C@@H]4CC[C@@H]([NH3+])[C@H]4C3)c2cc1Br ZINC000333554790 499030903 /nfs/dbraw/zinc/03/09/03/499030903.db2.gz KATGWQDRZRWMDC-VHRBIJSZSA-N 2 0 362.271 3.179 20 0 FGADRP COc1ccc(C[NH2+]Cc2ccc(OC3CC[NH+](C)CC3)cc2)cc1O ZINC000284143555 499056609 /nfs/dbraw/zinc/05/66/09/499056609.db2.gz VGVVSFMTOFHXCJ-UHFFFAOYSA-N 2 0 356.466 3.164 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCc2nc(-c3ccccc3)no2)[C@@H](C)C1 ZINC000299471916 499069781 /nfs/dbraw/zinc/06/97/81/499069781.db2.gz YNQFLZAPDCDBAV-HKUYNNGSSA-N 2 0 372.513 3.006 20 0 FGADRP Cc1ccc([C@H]([NH3+])C(=O)NC[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)cc1 ZINC000366819490 499084046 /nfs/dbraw/zinc/08/40/46/499084046.db2.gz GJWQTZCTIFSQDU-NZSAHSFTSA-N 2 0 357.523 3.256 20 0 FGADRP Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)C[C@H]1CCC[NH2+]CC1 ZINC000364109297 499117123 /nfs/dbraw/zinc/11/71/23/499117123.db2.gz BKKJWYACDAUEKT-KRWDZBQOSA-N 2 0 361.555 3.262 20 0 FGADRP C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000364122181 499119156 /nfs/dbraw/zinc/11/91/56/499119156.db2.gz AYDOETGCYIEAEH-YLJYHZDGSA-N 2 0 364.578 3.013 20 0 FGADRP CC1CCC([NH+]2CCC(NC(=O)N(C)[C@@H]3CC[N@H+](C)C[C@H]3C)CC2)CC1 ZINC000364127309 499120297 /nfs/dbraw/zinc/12/02/97/499120297.db2.gz DATUZIIKXQTYMO-LNXHZJMOSA-N 2 0 364.578 3.011 20 0 FGADRP O=S1(=O)CC[C@H]([NH2+]CCCCC[NH+]2CCCCC2)c2cc(F)ccc21 ZINC000372481753 499132894 /nfs/dbraw/zinc/13/28/94/499132894.db2.gz LFSDGADRWCMARM-SFHVURJKSA-N 2 0 368.518 3.290 20 0 FGADRP C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000367065920 499142645 /nfs/dbraw/zinc/14/26/45/499142645.db2.gz HKOUCANVAFCYOT-RYRKJORJSA-N 2 0 351.535 3.096 20 0 FGADRP CC(C)[NH+]1CCN(C2CC[NH+](C[C@@H]3CCC4(CCCCC4)O3)CC2)CC1 ZINC000372773570 499173552 /nfs/dbraw/zinc/17/35/52/499173552.db2.gz UJUHWJFSILQXBH-NRFANRHFSA-N 2 0 363.590 3.359 20 0 FGADRP C[N@H+](CC1CCN(c2cc[nH+]cc2)CC1)[C@H]1CCc2ccccc2NC1=O ZINC000372817511 499179733 /nfs/dbraw/zinc/17/97/33/499179733.db2.gz ZUELANYZMRYUHW-NRFANRHFSA-N 2 0 364.493 3.183 20 0 FGADRP CC[NH+](CC)Cc1ccc(CNC(=O)N2CCCC23CC[NH+](C)CC3)cc1 ZINC000367472502 499203194 /nfs/dbraw/zinc/20/31/94/499203194.db2.gz NJQOJDCSZFEBCJ-UHFFFAOYSA-N 2 0 372.557 3.298 20 0 FGADRP C[C@@H]1C[NH+](Cc2ccccc2C[NH2+][C@H]2CCC23CCOCC3)C[C@@H](C)O1 ZINC000370312778 499208413 /nfs/dbraw/zinc/20/84/13/499208413.db2.gz BZDLGQYDINJHHA-OPYAIIAOSA-N 2 0 358.526 3.345 20 0 FGADRP CC(C)(C)OC(=O)NCC1CCC([NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000367522313 499208775 /nfs/dbraw/zinc/20/87/75/499208775.db2.gz DSUPHQRHODLIJH-OPQOLIRYSA-N 2 0 351.535 3.286 20 0 FGADRP C[C@H]1CN(C(=O)Nc2ccc(F)c(Cl)c2)CCN1C1CC[NH+](C)CC1 ZINC000367529179 499209328 /nfs/dbraw/zinc/20/93/28/499209328.db2.gz MOGRKAHIRWABCB-ZDUSSCGKSA-N 2 0 368.884 3.111 20 0 FGADRP C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C[C@@]2(C)CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000367702034 499226243 /nfs/dbraw/zinc/22/62/43/499226243.db2.gz LNXSFSNLSRMDSI-MBOZVWFJSA-N 2 0 351.535 3.050 20 0 FGADRP C[C@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccc(F)cc1OC(F)F ZINC000370635824 499238165 /nfs/dbraw/zinc/23/81/65/499238165.db2.gz QDKTZORWLCTABU-ZFWWWQNUSA-N 2 0 371.447 3.246 20 0 FGADRP CC(=O)Nc1cccc(C[N@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000367898849 499243245 /nfs/dbraw/zinc/24/32/45/499243245.db2.gz BFUMCLNUUIWMKY-UHFFFAOYSA-N 2 0 352.482 3.388 20 0 FGADRP CC(C)COc1ccc(CN2CC[C@@H]([NH+]3CCN(C)CC3)[C@H](C)C2)cc1 ZINC000370709516 499246516 /nfs/dbraw/zinc/24/65/16/499246516.db2.gz RMRDSXFOKMTICU-DENIHFKCSA-N 2 0 359.558 3.179 20 0 FGADRP Cc1nccn1CCCC[N@H+]1[C@@H]2CC[C@H]1C[C@H](NC(=O)OC(C)(C)C)C2 ZINC000370712620 499246930 /nfs/dbraw/zinc/24/69/30/499246930.db2.gz WYDUTEGCNACYMH-NNZMDNLPSA-N 2 0 362.518 3.492 20 0 FGADRP c1[nH]nc(-c2cccnc2)c1C[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000367962760 499250108 /nfs/dbraw/zinc/25/01/08/499250108.db2.gz KABLYVSBBNZPNO-RBBKRZOGSA-N 2 0 373.504 3.426 20 0 FGADRP C[C@H](c1ccc(N2CCCC2=O)cc1)[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000368025676 499256723 /nfs/dbraw/zinc/25/67/23/499256723.db2.gz XWQXAEBGYBRNFO-RZXSNQJFSA-N 2 0 371.525 3.058 20 0 FGADRP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@@H]2CCCN(c3ccc(Cl)cc3Cl)C2=O)C1 ZINC000576360471 506139475 /nfs/dbraw/zinc/13/94/75/506139475.db2.gz SIDQPLXUCWCKAP-UMVBOHGHSA-N 2 0 356.297 3.348 20 0 FGADRP CC(C)(C)OC(=O)NC[C@@]12CCC[C@@H]1C[N@@H+]([C@@H]1CC[NH+]3CCC[C@@H]3C1)C2 ZINC000368354032 499288200 /nfs/dbraw/zinc/28/82/00/499288200.db2.gz GDHFIRNMCCELLZ-NEYJZJCJSA-N 2 0 363.546 3.240 20 0 FGADRP CC1(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC[NH+](Cc2ccccc2)CC1 ZINC000368380948 499290603 /nfs/dbraw/zinc/29/06/03/499290603.db2.gz QREJAFOLQBYEKQ-UXHICEINSA-N 2 0 355.526 3.032 20 0 FGADRP C[C@@H](CC[NH+](C)C)NC(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000371249923 499302613 /nfs/dbraw/zinc/30/26/13/499302613.db2.gz PXRAFQRPQDYWAR-IBGZPJMESA-N 2 0 372.557 3.024 20 0 FGADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+]C[C@H](O)CO[C@@H](C)c2ccc(Cl)cc2)C1 ZINC000573199286 506141845 /nfs/dbraw/zinc/14/18/45/506141845.db2.gz SCQGGGNTUOKMSV-QKLQHJQFSA-N 2 0 368.949 3.489 20 0 FGADRP CC(C)[C@H](C(=O)N(C)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1)[NH+]1CCCCC1 ZINC000368744012 499327695 /nfs/dbraw/zinc/32/76/95/499327695.db2.gz XGAWVZPGECJMBM-HBMCJLEFSA-N 2 0 372.557 3.043 20 0 FGADRP C[N@@H+]1CC[C@H](C[NH2+]C2CCN(c3nccs3)CC2)[C@@H]1c1ccccc1 ZINC000371519748 499337422 /nfs/dbraw/zinc/33/74/22/499337422.db2.gz NBHJNOXLVSZWBX-MJGOQNOKSA-N 2 0 356.539 3.395 20 0 FGADRP COC1(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)CCOCC1 ZINC000369001768 499355793 /nfs/dbraw/zinc/35/57/93/499355793.db2.gz QQLLRFRACXLZNF-LEWJYISDSA-N 2 0 358.526 3.169 20 0 FGADRP COc1cc2c(cc1OC)[C@@H]([NH2+]C1CCN(c3ccccn3)CC1)CC2 ZINC000369147904 499370817 /nfs/dbraw/zinc/37/08/17/499370817.db2.gz OBMILLZUSNDFRF-SFHVURJKSA-N 2 0 353.466 3.345 20 0 FGADRP COc1ccc(-c2n[nH]cc2C[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)cc1 ZINC000369198590 499376552 /nfs/dbraw/zinc/37/65/52/499376552.db2.gz PBKSMERCDVIEKV-UHFFFAOYSA-N 2 0 354.498 3.393 20 0 FGADRP Cc1cc(C)cc([C@H](O)C[NH2+]Cc2nc3c(s2)CN(C(C)C)CC3)c1 ZINC000369215418 499378321 /nfs/dbraw/zinc/37/83/21/499378321.db2.gz OVXRVERWWPVNFR-GOSISDBHSA-N 2 0 359.539 3.350 20 0 FGADRP CC(C)CC[NH+]1CCC(C[NH2+][C@@H]2CC[N@H+](C[C@H]3CCCO3)C[C@H]2C)CC1 ZINC000372054992 499393806 /nfs/dbraw/zinc/39/38/06/499393806.db2.gz JMDOOQAFEIJCKX-CEMLEFRQSA-N 3 0 365.606 3.224 20 0 FGADRP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+]CCCCC[NH+]1CCCCC1 ZINC000372066029 499395157 /nfs/dbraw/zinc/39/51/57/499395157.db2.gz VHSRFKBZAGFBCL-QHAWAJNXSA-N 2 0 351.579 3.122 20 0 FGADRP Cc1ccc(OCCC[N@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)cc1C ZINC000369397998 499399619 /nfs/dbraw/zinc/39/96/19/499399619.db2.gz KXZIPICTQXZFOA-OAQYLSRUSA-N 2 0 359.558 3.173 20 0 FGADRP CC[NH+](CC)Cc1cc([C@H](C)[NH2+][C@@H]2CCc3c[nH]nc3C2)ccc1OC ZINC000378510725 499525952 /nfs/dbraw/zinc/52/59/52/499525952.db2.gz INNAKQAZBCWEFN-HNAYVOBHSA-N 2 0 356.514 3.468 20 0 FGADRP COc1cc(C[N@@H+]2CCCC23CC[NH+](C)CC3)c(SC)cc1OC ZINC000375505496 499526629 /nfs/dbraw/zinc/52/66/29/499526629.db2.gz HGVYMIJBJBIEKB-UHFFFAOYSA-N 2 0 350.528 3.486 20 0 FGADRP C[C@@H]([NH2+]C1CCN(C(=O)c2ccco2)CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000378568177 499532648 /nfs/dbraw/zinc/53/26/48/499532648.db2.gz JPTBJWKXWJLKLR-SJORKVTESA-N 2 0 359.514 3.127 20 0 FGADRP C[C@@H](CCc1ccc(F)cc1F)[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000573229185 506149132 /nfs/dbraw/zinc/14/91/32/506149132.db2.gz VCHKBRSDSDEAHF-HOTGVXAUSA-N 2 0 352.469 3.376 20 0 FGADRP COCCN1CC[C@@H]([NH2+]CCc2ccc(OCc3ccccc3)cc2)C1 ZINC000381245423 499544522 /nfs/dbraw/zinc/54/45/22/499544522.db2.gz CDWYSLYTKAEPNU-OAQYLSRUSA-N 2 0 354.494 3.118 20 0 FGADRP COc1cccc(Cl)c1C[NH2+]CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000390892441 499556136 /nfs/dbraw/zinc/55/61/36/499556136.db2.gz ZDNBIRYGOZTYHV-UHFFFAOYSA-N 2 0 373.928 3.256 20 0 FGADRP O[C@H](C[NH2+]CC1CC[NH+](Cc2cccs2)CC1)COCc1ccccc1 ZINC000573237103 506149939 /nfs/dbraw/zinc/14/99/39/506149939.db2.gz YAMRZEBDAMZXRU-HXUWFJFHSA-N 2 0 374.550 3.127 20 0 FGADRP C[C@H](CCc1ccc(O)cc1)[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000397495053 499563808 /nfs/dbraw/zinc/56/38/08/499563808.db2.gz APHDYODDFSOMGY-LJQANCHMSA-N 2 0 368.521 3.330 20 0 FGADRP COc1cccc([C@H](C)[NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)c1 ZINC000397498408 499564191 /nfs/dbraw/zinc/56/41/91/499564191.db2.gz SPEWEANYRKYTSY-SFHVURJKSA-N 2 0 354.494 3.373 20 0 FGADRP C[N@@H+]1CC[C@H]([NH2+]CCc2ccc(OCC[NH+]3CCCC3)cc2)[C@@H]2CCC[C@H]21 ZINC000579336786 506150115 /nfs/dbraw/zinc/15/01/15/506150115.db2.gz XDCVMMCCEDDVJL-RJGXRXQPSA-N 3 0 371.569 3.166 20 0 FGADRP COc1ccc([C@H](C)[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1Br ZINC000400919835 499569114 /nfs/dbraw/zinc/56/91/14/499569114.db2.gz JBVBWOCBSXFGLK-ZGKBOVNRSA-N 2 0 353.304 3.496 20 0 FGADRP COC(=O)c1ccc(C[NH2+][C@]2(C)CCN(Cc3ccccc3)C2)cc1F ZINC000406051624 499571897 /nfs/dbraw/zinc/57/18/97/499571897.db2.gz HUNXEPLZJLXDOY-OAQYLSRUSA-N 2 0 356.441 3.367 20 0 FGADRP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+]CCc1ccccc1OC(F)F ZINC000376417071 499607301 /nfs/dbraw/zinc/60/73/01/499607301.db2.gz WLWXAYGQBROETK-BPQIPLTHSA-N 2 0 368.468 3.310 20 0 FGADRP C[NH+](C)CCN(CCCc1ccccc1)C(=O)c1cccc(C[NH+](C)C)c1 ZINC000409701365 499616005 /nfs/dbraw/zinc/61/60/05/499616005.db2.gz ZNFVHCQPHUDEMV-UHFFFAOYSA-N 2 0 367.537 3.385 20 0 FGADRP C[C@H]1C[C@@H](C(=O)N2CCC[C@@H]2[C@H]2CCC[N@@H+]2Cc2ccccc2)CC[NH2+]1 ZINC000376633122 499624648 /nfs/dbraw/zinc/62/46/48/499624648.db2.gz CJRZGWBBQZNTHP-MJUUVYJYSA-N 2 0 355.526 3.030 20 0 FGADRP CN(C(=O)N[C@H]1CC[NH+](C2CCCCCC2)C1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000376676554 499627974 /nfs/dbraw/zinc/62/79/74/499627974.db2.gz BFFBPZKVKCNQTP-DAABDDCCSA-N 2 0 362.562 3.050 20 0 FGADRP COCCC1(C[NH2+][C@@H]2CC[N@H+](C[C@H]3CCCO3)C[C@H]2C)CCCCC1 ZINC000376940221 499648010 /nfs/dbraw/zinc/64/80/10/499648010.db2.gz FVVCAOWEHRULJR-VAMGGRTRSA-N 2 0 352.563 3.452 20 0 FGADRP C[C@H]1CC[C@H](C)[NH+]1CCN1CC[NH+](CCCCC2CCOCC2)CC1 ZINC000410337983 499656083 /nfs/dbraw/zinc/65/60/83/499656083.db2.gz MFOHDTYEOCISRV-PMACEKPBSA-N 2 0 351.579 3.074 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCc2nc3c(cccc3C)o2)[C@H](C)C1 ZINC000410355891 499657298 /nfs/dbraw/zinc/65/72/98/499657298.db2.gz AGZHTSJZLAOOGU-MSOLQXFVSA-N 2 0 359.514 3.405 20 0 FGADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+][C@@H]2CCO[C@@]3(CCOC3)C2)CC1 ZINC000377132169 499664703 /nfs/dbraw/zinc/66/47/03/499664703.db2.gz WUYFQUWGTPOBIB-JRRMTSHWSA-N 2 0 358.526 3.357 20 0 FGADRP CC[NH+](CC)CCOc1ccccc1NC(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000377168046 499667671 /nfs/dbraw/zinc/66/76/71/499667671.db2.gz HXOQEXYVQSFQDI-ZWKOTPCHSA-N 2 0 374.529 3.156 20 0 FGADRP CCCNC(=O)C1CC[NH+](Cc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000411139899 499702016 /nfs/dbraw/zinc/70/20/16/499702016.db2.gz YTJWNCHEJXPBRO-UHFFFAOYSA-N 2 0 357.542 3.411 20 0 FGADRP COc1ccc(O)cc1[C@@H](C)[NH2+][C@H]1CCCN(c2cc(C)nc(C)n2)C1 ZINC000377543828 499702684 /nfs/dbraw/zinc/70/26/84/499702684.db2.gz SLJHHMHPWFQQBE-ZBFHGGJFSA-N 2 0 356.470 3.127 20 0 FGADRP C[NH+](C)CCCOc1cnccc1C[NH2+][C@@H]1CCCC[C@H]1[C@H]1CCOC1 ZINC000377562329 499704806 /nfs/dbraw/zinc/70/48/06/499704806.db2.gz IYQZKAXCNPAFLP-SLFFLAALSA-N 2 0 361.530 3.097 20 0 FGADRP C[NH+](C)C1CCC(Nc2cc(NC3CCC([NH+](C)C)CC3)ncn2)CC1 ZINC000570387758 506156099 /nfs/dbraw/zinc/15/60/99/506156099.db2.gz QUOLFJSTYZFFRA-UHFFFAOYSA-N 2 0 360.550 3.046 20 0 FGADRP COc1cc(C[NH2+]C[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)cc(OC)c1O ZINC000377617290 499710916 /nfs/dbraw/zinc/71/09/16/499710916.db2.gz AJNNIDHAXVMRSC-XLIONFOSSA-N 2 0 356.466 3.192 20 0 FGADRP COc1ccc2c(c1)CCC[C@@H]2[N@@H+]1CCC[C@H](CN2CC[NH+](C)CC2)C1 ZINC000377618191 499711126 /nfs/dbraw/zinc/71/11/26/499711126.db2.gz BRHOKMZDTDAEAF-GCJKJVERSA-N 2 0 357.542 3.032 20 0 FGADRP Cc1ccc2cc(C[N@@H+](C)[C@@H]3CCN(C4CC[NH+](C)CC4)C3)ccc2n1 ZINC000377621143 499711399 /nfs/dbraw/zinc/71/13/99/499711399.db2.gz AWXZBJKMFFMPMA-OAQYLSRUSA-N 2 0 352.526 3.144 20 0 FGADRP CN1CCN([C@H]2CCCC[N@@H+]([C@@H]3CSCCc4ccccc43)C2)CC1 ZINC000377680486 499718925 /nfs/dbraw/zinc/71/89/25/499718925.db2.gz VQARIAXDSISRBN-PZJWPPBQSA-N 2 0 359.583 3.119 20 0 FGADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2ccc(-c3ncco3)cc2F)C1 ZINC000411309889 499724812 /nfs/dbraw/zinc/72/48/12/499724812.db2.gz STBPNEJLGQPXMS-SFHVURJKSA-N 2 0 361.461 3.413 20 0 FGADRP Cc1ccc([C@@H](CNC(=O)[C@@H]2CCCc3nccn32)[NH+]2CCCC2)cc1 ZINC000377748539 499728081 /nfs/dbraw/zinc/72/80/81/499728081.db2.gz RTEMCVJTAHVUBM-RBUKOAKNSA-N 2 0 352.482 3.022 20 0 FGADRP Cc1ccc2[nH]c3c(c2c1)CCC[C@@H]3[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000582204274 506157752 /nfs/dbraw/zinc/15/77/52/506157752.db2.gz OLMOLRHIHHHLKF-NRFANRHFSA-N 2 0 354.542 3.469 20 0 FGADRP C[N@H+](CCCN1CC[NH+](C)CC1)Cc1cc(Cl)cc(Br)c1 ZINC000411434254 499739882 /nfs/dbraw/zinc/73/98/82/499739882.db2.gz YRHKJWIUXLLTII-UHFFFAOYSA-N 2 0 374.754 3.172 20 0 FGADRP CC[NH+]1CCC(NC(=O)C[NH2+][C@H](c2ccc(Cl)cc2)[C@H]2C[C@@H]2C)CC1 ZINC000411476181 499745494 /nfs/dbraw/zinc/74/54/94/499745494.db2.gz GNBUVXYDGPGUSX-ADLFWFRXSA-N 2 0 363.933 3.227 20 0 FGADRP COCCOc1cccc(C[N@H+](C)C2CCN(Cc3ccncc3)CC2)c1 ZINC000377927771 499748722 /nfs/dbraw/zinc/74/87/22/499748722.db2.gz ZTWBXTVIDMSNAR-UHFFFAOYSA-N 2 0 369.509 3.203 20 0 FGADRP COc1cccc2c1C[C@@H]([NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1)C2 ZINC000414173544 499765382 /nfs/dbraw/zinc/76/53/82/499765382.db2.gz FUJWWUKDXCXMOI-LPHOPBHVSA-N 2 0 354.494 3.454 20 0 FGADRP CC(C)CC[C@H]([NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1)C(C)(C)C ZINC000414179280 499766116 /nfs/dbraw/zinc/76/61/16/499766116.db2.gz AGBRJCVPVKOLSN-IBGZPJMESA-N 2 0 353.595 3.224 20 0 FGADRP COCCOc1ccc([C@H](C)[NH2+]CC[C@@H]2CCC[N@H+](C)C2)cc1OC ZINC000414198933 499767876 /nfs/dbraw/zinc/76/78/76/499767876.db2.gz XADVQTYTXACEKI-IRXDYDNUSA-N 2 0 350.503 3.103 20 0 FGADRP CCc1cccnc1[C@@H](C)[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000414311774 499776510 /nfs/dbraw/zinc/77/65/10/499776510.db2.gz VIXKQUUOIYNHNT-GOSISDBHSA-N 2 0 353.510 3.322 20 0 FGADRP C[C@@H]1OCC[C@]12C[N@H+](Cc1ccc(C[NH+]3CCCCC3)cc1)C[C@@H](C)O2 ZINC000411676845 499776650 /nfs/dbraw/zinc/77/66/50/499776650.db2.gz QGVUMJDIQJEZRO-DXIQSLLYSA-N 2 0 358.526 3.441 20 0 FGADRP OC[C@]1([C@@H]([NH2+]Cc2cccc(C[NH+]3CCCCC3)c2)C2CC2)CCCO1 ZINC000411774289 499789124 /nfs/dbraw/zinc/78/91/24/499789124.db2.gz VBGFBJLJRGQYHF-VXKWHMMOSA-N 2 0 358.526 3.082 20 0 FGADRP CCCc1csc(C[NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)n1 ZINC000414524964 499802958 /nfs/dbraw/zinc/80/29/58/499802958.db2.gz LGESFJNXTXMJNL-UHFFFAOYSA-N 2 0 359.539 3.212 20 0 FGADRP COc1ccccc1/C=C\C[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000414557017 499808504 /nfs/dbraw/zinc/80/85/04/499808504.db2.gz ZHWCMCWDOHIRDG-XFFZJAGNSA-N 2 0 366.505 3.325 20 0 FGADRP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+]1CC(C)(C)C[C@H]1C ZINC000412043265 499816280 /nfs/dbraw/zinc/81/62/80/499816280.db2.gz NHZKGDCHQMCGDC-QZTJIDSGSA-N 2 0 357.542 3.276 20 0 FGADRP [NH3+]C[C@@H]1CC[N@H+](Cc2ccc(OC(F)(F)[C@@H](F)C(F)(F)F)cc2)C1 ZINC000414662127 499818067 /nfs/dbraw/zinc/81/80/67/499818067.db2.gz YQJTVXDWAUVIPA-AAEUAGOBSA-N 2 0 356.310 3.339 20 0 FGADRP CCC[N@@H+](CC(=O)Nc1ccc(F)c(F)c1F)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414741561 499825579 /nfs/dbraw/zinc/82/55/79/499825579.db2.gz RZSJIGLSIXPIDI-OLZOCXBDSA-N 2 0 357.420 3.143 20 0 FGADRP COc1cc(OC)cc(C2(F)CC[NH+](C[C@H]3CC[NH2+][C@@H](C)C3)CC2)c1 ZINC000414760179 499827430 /nfs/dbraw/zinc/82/74/30/499827430.db2.gz GNJPQAJGHZBNND-HOTGVXAUSA-N 2 0 350.478 3.353 20 0 FGADRP Cn1c2ccc(C(F)(F)F)cc2nc1C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000414767716 499828564 /nfs/dbraw/zinc/82/85/64/499828564.db2.gz KHJHPTRQGTWTAL-BETUJISGSA-N 2 0 352.404 3.024 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)C1CC[NH+]([C@@H]2CCSC2)CC1)CC(C)C ZINC000412177031 499830946 /nfs/dbraw/zinc/83/09/46/499830946.db2.gz QWFVOANASMMXPQ-MOPGFXCFSA-N 2 0 369.619 3.077 20 0 FGADRP COc1cc(Cl)c(CN2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)cc1Cl ZINC000414791066 499831661 /nfs/dbraw/zinc/83/16/61/499831661.db2.gz QCPCODKIYUJRRJ-WBVHZDCISA-N 2 0 359.297 3.330 20 0 FGADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]Cc1cnn(-c2ccc(Br)cc2)c1 ZINC000414797327 499832239 /nfs/dbraw/zinc/83/22/39/499832239.db2.gz INIXBNAVYPOMNZ-RHSMWYFYSA-N 2 0 363.303 3.242 20 0 FGADRP CCC([NH3+])(CC)C[NH2+][C@@H](C)CC(=O)Nc1cccc(Br)c1 ZINC000414802490 499832761 /nfs/dbraw/zinc/83/27/61/499832761.db2.gz BRLFQFBGUHYUAC-LBPRGKRZSA-N 2 0 356.308 3.273 20 0 FGADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]Cc1cc(Br)c2c(c1)OCCCO2 ZINC000414803726 499832994 /nfs/dbraw/zinc/83/29/94/499832994.db2.gz NXANANCWLUSOMM-UKRRQHHQSA-N 2 0 369.303 3.218 20 0 FGADRP FC(F)(F)Oc1ccc(C[NH2+]CC[C@@H]2CC[NH2+]C2)cc1Br ZINC000414830310 499835365 /nfs/dbraw/zinc/83/53/65/499835365.db2.gz LVMKVHONMLCSKH-JTQLQIEISA-N 2 0 367.209 3.437 20 0 FGADRP C[NH2+]C[C@@H](C)C[NH2+]Cc1cc(Br)c(OC(F)F)c(OC)c1 ZINC000414848074 499837378 /nfs/dbraw/zinc/83/73/78/499837378.db2.gz WRICIYJNRHXBTK-SECBINFHSA-N 2 0 367.234 3.004 20 0 FGADRP C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+][C@H](C)[C@H]1CCC[NH2+]C1 ZINC000414850896 499837862 /nfs/dbraw/zinc/83/78/62/499837862.db2.gz IREDPESJBRLSEM-MCIONIFRSA-N 2 0 373.419 3.280 20 0 FGADRP C[C@@H]([NH2+]C1CCN(Cc2c(F)cccc2Cl)CC1)[C@@H]1CCC[NH2+]C1 ZINC000414853533 499838328 /nfs/dbraw/zinc/83/83/28/499838328.db2.gz KXJXGLVECOPKPH-HUUCEWRRSA-N 2 0 353.913 3.421 20 0 FGADRP CCOc1cc(C[NH2+]C[C@]2(C)CCC[NH2+]C2)cc(Br)c1OC ZINC000414907480 499843696 /nfs/dbraw/zinc/84/36/96/499843696.db2.gz QPHICFWODIJGIE-QGZVFWFLSA-N 2 0 371.319 3.336 20 0 FGADRP C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]C[C@]1(C)CCC[NH2+]C1 ZINC000414920470 499844550 /nfs/dbraw/zinc/84/45/50/499844550.db2.gz ZLVKSOANFHAATL-DNVCBOLYSA-N 2 0 351.922 3.056 20 0 FGADRP COc1cc(CN[C@@H]2C[NH2+]CC[C@H]2C)cc(OC)c1OCc1ccccc1 ZINC000414932617 499845896 /nfs/dbraw/zinc/84/58/96/499845896.db2.gz RIBBDQBCEBJUAE-VQIMIIECSA-N 2 0 370.493 3.370 20 0 FGADRP FC(F)(F)[C@H](C[NH2+]C1CCC(c2ccccc2)CC1)N1CC[NH2+]CC1 ZINC000414985532 499851462 /nfs/dbraw/zinc/85/14/62/499851462.db2.gz MYQKSOIHHNZMLO-ABHNRTSZSA-N 2 0 355.448 3.139 20 0 FGADRP [NH3+][C@H]1CCC[C@@H](C[NH2+]Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)C1 ZINC000415000593 499853368 /nfs/dbraw/zinc/85/33/68/499853368.db2.gz KIOUNRXHOGOVGU-CABCVRRESA-N 2 0 352.404 3.498 20 0 FGADRP C[C@@H](Cc1ccc(Br)c(F)c1)[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000415013887 499855086 /nfs/dbraw/zinc/85/50/86/499855086.db2.gz VTSUDUDMNIQAGO-PZSREKOKSA-N 2 0 355.295 3.497 20 0 FGADRP Fc1ccc(C[NH2+]C2CCC([NH+]3CCNCC3)CC2)cc1C(F)(F)F ZINC000415058104 499859414 /nfs/dbraw/zinc/85/94/14/499859414.db2.gz SJQGRUMGHBHHDD-UHFFFAOYSA-N 2 0 359.411 3.151 20 0 FGADRP Fc1cc(C[NH2+]C2CCC([NH+]3CCNCC3)CC2)cc(C(F)(F)F)c1 ZINC000415057701 499859472 /nfs/dbraw/zinc/85/94/72/499859472.db2.gz SGPYZMCMNBIFTQ-UHFFFAOYSA-N 2 0 359.411 3.151 20 0 FGADRP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C1CCN(C(=O)c2ccccc2F)CC1 ZINC000415077705 499861096 /nfs/dbraw/zinc/86/10/96/499861096.db2.gz HWPKJANFUIFPRC-FUHWJXTLSA-N 2 0 361.505 3.331 20 0 FGADRP C[C@H]1CC[N@H+](Cc2cn(-c3ccccc3)nc2-c2ccncc2)C[C@H]1C[NH3+] ZINC000415119988 499866192 /nfs/dbraw/zinc/86/61/92/499866192.db2.gz FPLXGKSFKOCFFO-PKOBYXMFSA-N 2 0 361.493 3.351 20 0 FGADRP C[C@@H]1CC[N@H+](Cc2cn(-c3ccccc3)nc2-c2cccnc2)C[C@H]1C[NH3+] ZINC000415123197 499866650 /nfs/dbraw/zinc/86/66/50/499866650.db2.gz JEBSBURDQUQRNM-IEBWSBKVSA-N 2 0 361.493 3.351 20 0 FGADRP C[C@H](C[N@@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1)c1ccc(C(F)(F)F)cc1 ZINC000415127850 499867505 /nfs/dbraw/zinc/86/75/05/499867505.db2.gz NJWGEQCQGMROBG-CXAGYDPISA-N 2 0 367.419 3.196 20 0 FGADRP CCOc1c(Cl)cccc1C[NH+]1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000415129589 499867735 /nfs/dbraw/zinc/86/77/35/499867735.db2.gz VFYVQWVQDSQRMU-FUHWJXTLSA-N 2 0 352.906 3.457 20 0 FGADRP CCOc1ccc(C[NH+]2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)cc1OCC ZINC000415132412 499868250 /nfs/dbraw/zinc/86/82/50/499868250.db2.gz UDQXLISFJQLAJB-GHTZIAJQSA-N 2 0 362.514 3.202 20 0 FGADRP Cc1cccc(COc2c(C)cc(C[NH+]3CCC(O)(C[NH3+])CC3)cc2C)c1 ZINC000415136232 499868762 /nfs/dbraw/zinc/86/87/62/499868762.db2.gz CLENTYJNUWGXGZ-UHFFFAOYSA-N 2 0 368.521 3.476 20 0 FGADRP CC(C)(C)[C@@H](C[NH3+])NC(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000415312824 499885728 /nfs/dbraw/zinc/88/57/28/499885728.db2.gz UGFKQQQZBGMYNJ-GOSISDBHSA-N 2 0 362.518 3.046 20 0 FGADRP CCc1ccc([C@H](CNC(=O)Nc2ccccc2C[NH2+]C)[NH+](C)C)cc1 ZINC000415894981 499925207 /nfs/dbraw/zinc/92/52/07/499925207.db2.gz ATVBUASCTPTLMM-FQEVSTJZSA-N 2 0 354.498 3.393 20 0 FGADRP CC[NH2+]Cc1cccc(NC(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)c1 ZINC000415926732 499929376 /nfs/dbraw/zinc/92/93/76/499929376.db2.gz BZNTTWSUQLFQHA-HXUWFJFHSA-N 2 0 354.498 3.091 20 0 FGADRP CC[NH2+]Cc1cccc(NC(=O)NC[C@@H](Cc2ccccc2)[NH+](C)C)c1 ZINC000415933265 499930276 /nfs/dbraw/zinc/93/02/76/499930276.db2.gz NVOZHVBHNMZWFP-HXUWFJFHSA-N 2 0 354.498 3.091 20 0 FGADRP C[N@@H+]1CCC[C@H]2CN(C(=O)Nc3cc(C[NH3+])cc(C(F)(F)F)c3)CC[C@H]21 ZINC000415960583 499933685 /nfs/dbraw/zinc/93/36/85/499933685.db2.gz QIIHHJOFAVGVIL-XJKSGUPXSA-N 2 0 370.419 3.112 20 0 FGADRP C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000415960921 499933979 /nfs/dbraw/zinc/93/39/79/499933979.db2.gz CNUKUPZGGQMBFZ-WBMJQRKESA-N 2 0 370.419 3.255 20 0 FGADRP CC[NH+](CC)CCOc1ccc(CNC(=O)Nc2ccc(C[NH3+])cc2)cc1 ZINC000415971294 499935483 /nfs/dbraw/zinc/93/54/83/499935483.db2.gz GJIGKRIRIXKHNK-UHFFFAOYSA-N 2 0 370.497 3.188 20 0 FGADRP CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000415980570 499936858 /nfs/dbraw/zinc/93/68/58/499936858.db2.gz SSYKERQHVUUDMI-UHFFFAOYSA-N 2 0 360.424 3.273 20 0 FGADRP C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000415983023 499937184 /nfs/dbraw/zinc/93/71/84/499937184.db2.gz YMNWPLWXCONFED-UHFFFAOYSA-N 2 0 362.424 3.019 20 0 FGADRP C[NH2+]Cc1ccc(NC(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000415981475 499937232 /nfs/dbraw/zinc/93/72/32/499937232.db2.gz JIQGKEBPTSVXIM-HXUWFJFHSA-N 2 0 352.482 3.144 20 0 FGADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)N2CCCC[C@@H]2[C@H]2CCC[NH2+]C2)C1 ZINC000417050382 499958237 /nfs/dbraw/zinc/95/82/37/499958237.db2.gz WUCHRMJCNWODRV-HSALFYBXSA-N 2 0 364.578 3.062 20 0 FGADRP CN(CCC[N@H+](C)Cc1ccco1)C(=O)C[C@H](c1ccccc1)[NH+](C)C ZINC000416231251 499988761 /nfs/dbraw/zinc/98/87/61/499988761.db2.gz AZOPOPNFJHSFQI-HXUWFJFHSA-N 2 0 357.498 3.253 20 0 FGADRP CC1CC[NH+]([C@H](CNC(=O)NCC[C@H]2CCC[NH2+]C2)c2ccccc2)CC1 ZINC000417208610 500005612 /nfs/dbraw/zinc/00/56/12/500005612.db2.gz BESBSOVHTODFLI-TZIWHRDSSA-N 2 0 372.557 3.149 20 0 FGADRP C[N@H+](Cc1ccccc1CNC(=O)NC[C@H]1CCC[NH2+]C1)C1CCCCC1 ZINC000417230584 500011639 /nfs/dbraw/zinc/01/16/39/500011639.db2.gz ZJUWZIVGETYTIW-SFHVURJKSA-N 2 0 372.557 3.250 20 0 FGADRP COc1cc(Br)c(C[NH2+]C2CCC([NH+](C)C)CC2)c(OC)c1 ZINC000421379253 500032319 /nfs/dbraw/zinc/03/23/19/500032319.db2.gz XANBYFVZPDIKGW-UHFFFAOYSA-N 2 0 371.319 3.429 20 0 FGADRP Cc1ccc([C@H](CNC(=O)N[C@@H](CCC[NH3+])c2ccccc2)[NH+](C)C)cc1 ZINC000417315277 500037391 /nfs/dbraw/zinc/03/73/91/500037391.db2.gz SAFYZMDGQYRASZ-SFTDATJTSA-N 2 0 368.525 3.377 20 0 FGADRP CCCC[NH+]1CCC(NC(=O)NC[C@H]([NH3+])c2ccc(C(C)C)cc2)CC1 ZINC000417392927 500058732 /nfs/dbraw/zinc/05/87/32/500058732.db2.gz NWSGBZFDPMQBRU-FQEVSTJZSA-N 2 0 360.546 3.374 20 0 FGADRP CCC[NH+]1CCC([NH2+]C[C@@H](CO)Cc2cccc(Br)c2)CC1 ZINC000429412910 500073275 /nfs/dbraw/zinc/07/32/75/500073275.db2.gz QUDVBVQKZQWTJY-INIZCTEOSA-N 2 0 369.347 3.064 20 0 FGADRP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCc2ccc([C@@H](C)[NH3+])cc2)C1 ZINC000417585542 500117966 /nfs/dbraw/zinc/11/79/66/500117966.db2.gz PIQXGVYUEBYVOZ-SJORKVTESA-N 2 0 360.546 3.406 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N1C[C@H](C[NH3+])C[C@H]1C)c1ccccc1Cl ZINC000416831072 500132285 /nfs/dbraw/zinc/13/22/85/500132285.db2.gz HFHJQOFSHLZGJM-RVKKMQEKSA-N 2 0 366.937 3.102 20 0 FGADRP CCc1ccc([C@H](CNC(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)[NH+](C)C)cc1 ZINC000416833157 500133178 /nfs/dbraw/zinc/13/31/78/500133178.db2.gz CHAPZMJYVDNDPZ-RTWAWAEBSA-N 2 0 372.557 3.025 20 0 FGADRP COc1ccc(C[C@@H](C)[NH2+]C[C@@H]2CC[N@H+](CCc3ccccc3)C2)cn1 ZINC000414065630 500143305 /nfs/dbraw/zinc/14/33/05/500143305.db2.gz GFHLXSLBXDIQPR-NQIIRXRSSA-N 2 0 353.510 3.175 20 0 FGADRP C[N@H+](CCCNC(=O)N1CCCC[C@@H]1[C@H]1CCC[NH2+]C1)Cc1ccccc1 ZINC000416874313 500144471 /nfs/dbraw/zinc/14/44/71/500144471.db2.gz PIERSMKDQORVGZ-LEWJYISDSA-N 2 0 372.557 3.072 20 0 FGADRP CC(C)(C)[C@H](C[N@@H+]1CCc2ccccc2C1)NC(=O)NC1CCC([NH3+])CC1 ZINC000417675613 500146071 /nfs/dbraw/zinc/14/60/71/500146071.db2.gz CDTOVFIJIQTUEU-MHJFOBGBSA-N 2 0 372.557 3.029 20 0 FGADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCOc2cccc(Br)c2)[C@@H](C)C1 ZINC000429813591 500148807 /nfs/dbraw/zinc/14/88/07/500148807.db2.gz RRBAVGGMUXOYTB-WMLDXEAASA-N 2 0 355.320 3.490 20 0 FGADRP [NH3+][C@@H](CNC(=O)NCc1ccccc1C[NH+]1CCCCC1)c1ccccc1 ZINC000416899940 500150781 /nfs/dbraw/zinc/15/07/81/500150781.db2.gz HKIPIJLKUMGZDN-NRFANRHFSA-N 2 0 366.509 3.172 20 0 FGADRP C[C@@H]([NH3+])c1ccc(CNC(=O)NCc2ccccc2C[NH+]2CCCC2)cc1 ZINC000416901894 500151023 /nfs/dbraw/zinc/15/10/23/500151023.db2.gz KQSSLAWWWJQJFK-QGZVFWFLSA-N 2 0 366.509 3.302 20 0 FGADRP C[C@H]([NH2+]C1(CNC(=O)NC2CCC([NH3+])CC2)CCCC1)c1ccccc1 ZINC000417712296 500155032 /nfs/dbraw/zinc/15/50/32/500155032.db2.gz WQLDULYLAPYQFW-IVMQYODDSA-N 2 0 358.530 3.219 20 0 FGADRP COC1([C@@H](C)[NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)CCCCC1 ZINC000421863008 500165806 /nfs/dbraw/zinc/16/58/06/500165806.db2.gz WXQFOLQFALQPCT-LJQANCHMSA-N 2 0 360.542 3.341 20 0 FGADRP C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)N2CCC[C@@H]([NH3+])C2)cc1 ZINC000416964448 500168173 /nfs/dbraw/zinc/16/81/73/500168173.db2.gz SKDXGAFXXOGDMO-HXUWFJFHSA-N 2 0 366.509 3.048 20 0 FGADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)cc1 ZINC000416969804 500169960 /nfs/dbraw/zinc/16/99/60/500169960.db2.gz COOFFKZYSDHBLW-DZFGPLHGSA-N 2 0 370.541 3.097 20 0 FGADRP C[NH2+]C[C@@H]1CCCN(C(=O)NCc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)C1 ZINC000416977562 500173181 /nfs/dbraw/zinc/17/31/81/500173181.db2.gz QDBINEZWTRWUEE-NQIIRXRSSA-N 2 0 372.557 3.202 20 0 FGADRP C[C@@H]([NH3+])c1ccc(CNC(=O)NCc2cccc(C[NH+]3CCCC3)c2)cc1 ZINC000416983667 500175213 /nfs/dbraw/zinc/17/52/13/500175213.db2.gz NQLSLIFQHLHALP-QGZVFWFLSA-N 2 0 366.509 3.302 20 0 FGADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)NCC[C@H]2CCC[NH2+]C2)cc1 ZINC000416985555 500175571 /nfs/dbraw/zinc/17/55/71/500175571.db2.gz YOJBUPDOFZJIJT-RBUKOAKNSA-N 2 0 372.557 3.250 20 0 FGADRP C[C@H](CCCC[NH3+])NC(=O)NCc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000416990508 500177559 /nfs/dbraw/zinc/17/75/59/500177559.db2.gz NFFGSOKIVAOCNR-CEXWTWQISA-N 2 0 374.573 3.481 20 0 FGADRP C[C@@H]1C[C@H](NC(=O)NCC2([NH3+])CCCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000417827168 500179657 /nfs/dbraw/zinc/17/96/57/500179657.db2.gz CWIYCZHVDJVQBV-IEBWSBKVSA-N 2 0 358.530 3.000 20 0 FGADRP CCCN(C(=O)NC[C@H](Cc1ccccc1)[NH+](CC)CC)C1CC[NH2+]CC1 ZINC000416999949 500180306 /nfs/dbraw/zinc/18/03/06/500180306.db2.gz COQBQUWDVXHNQR-NRFANRHFSA-N 2 0 374.573 3.113 20 0 FGADRP C[C@H](CCCC[NH3+])NC(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000417003782 500181839 /nfs/dbraw/zinc/18/18/39/500181839.db2.gz VWQMQWURYOMWFO-CRAIPNDOSA-N 2 0 366.937 3.294 20 0 FGADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000417843635 500182416 /nfs/dbraw/zinc/18/24/16/500182416.db2.gz QVEGVOIPQSECDR-MISYRCLQSA-N 2 0 360.546 3.054 20 0 FGADRP C[NH2+][C@@H]1CCCN(C(=O)NC[C@H](CC(C)C)[NH2+][C@@H](C)c2ccccc2)C1 ZINC000417866139 500187121 /nfs/dbraw/zinc/18/71/21/500187121.db2.gz DCSGAMABXKCUGM-SXLOBPIMSA-N 2 0 360.546 3.145 20 0 FGADRP C[NH2+]C[C@@H]1CCCN1C(=O)NC[C@@H](CC(C)C)[NH2+][C@@H](C)c1ccccc1 ZINC000417872717 500188939 /nfs/dbraw/zinc/18/89/39/500188939.db2.gz LFEUYDLFUQWLNR-SXLOBPIMSA-N 2 0 360.546 3.145 20 0 FGADRP CCCC[N@H+](CC)Cc1cccc(CNC(=O)N2C[C@@H](C[NH3+])C[C@@H]2C)c1 ZINC000417874485 500189460 /nfs/dbraw/zinc/18/94/60/500189460.db2.gz KLRLDQJJBLNAEG-FXAWDEMLSA-N 2 0 360.546 3.187 20 0 FGADRP CCC1(CNC(=O)N2C[C@H](C[NH3+])C[C@H]2C)CC[NH+](Cc2ccccc2)CC1 ZINC000417922421 500199031 /nfs/dbraw/zinc/19/90/31/500199031.db2.gz IZTTWYGZIYSQIJ-QUCCMNQESA-N 2 0 372.557 3.058 20 0 FGADRP CCC1(CNC(=O)N2CC[C@](C)(C[NH3+])C2)CC[NH+](Cc2ccccc2)CC1 ZINC000417928645 500199578 /nfs/dbraw/zinc/19/95/78/500199578.db2.gz RIXGQMKTKYCHMV-OAQYLSRUSA-N 2 0 372.557 3.059 20 0 FGADRP C[C@H](NC(=O)N[C@@H](C[NH3+])C1CCCCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000417984013 500209436 /nfs/dbraw/zinc/20/94/36/500209436.db2.gz CCFIKUODZPJMSJ-YYWHXJBOSA-N 2 0 372.557 3.104 20 0 FGADRP C[C@H](CCNC(=O)N[C@H](C[NH3+])c1ccc2ccccc2c1)[NH+]1CCCCC1 ZINC000417997864 500211806 /nfs/dbraw/zinc/21/18/06/500211806.db2.gz GMWMLGFKXSBNMT-DYESRHJHSA-N 2 0 368.525 3.403 20 0 FGADRP C[C@H](C[NH2+][C@H](Cc1cccnc1)c1cccc(Cl)c1)N1CC[NH+](C)CC1 ZINC000426041029 500229525 /nfs/dbraw/zinc/22/95/25/500229525.db2.gz CFGWPIURZMDTGM-DYESRHJHSA-N 2 0 372.944 3.244 20 0 FGADRP C[C@@H]1C[C@H](CCNC(=O)N(C)C[C@@H]2CCC[N@@H+]2C)C[NH+]1Cc1ccccc1 ZINC000422186674 500229618 /nfs/dbraw/zinc/22/96/18/500229618.db2.gz RTEUHSYUROVOIU-GIVPXCGWSA-N 2 0 372.557 3.023 20 0 FGADRP [NH3+]CCCN(CC1CCCC1)C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000418106213 500230704 /nfs/dbraw/zinc/23/07/04/500230704.db2.gz MWMGVEWLEXTSQH-OAQYLSRUSA-N 2 0 372.557 3.059 20 0 FGADRP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000418154266 500238922 /nfs/dbraw/zinc/23/89/22/500238922.db2.gz JMVSLZZKZNFCOJ-UXHICEINSA-N 2 0 372.557 3.119 20 0 FGADRP CCCN(C(=O)N[C@@H](C)[C@@H](c1ccccc1C)[NH+](C)C)C1CC[NH2+]CC1 ZINC000418162182 500240048 /nfs/dbraw/zinc/24/00/48/500240048.db2.gz CGCSIVMQPSCXEZ-PXNSSMCTSA-N 2 0 360.546 3.160 20 0 FGADRP CC[NH+](CC)CCN(Cc1ccccc1)C(=O)NC1CCC([NH+](C)C)CC1 ZINC000422244109 500240227 /nfs/dbraw/zinc/24/02/27/500240227.db2.gz JRPSHGDJOBUCPV-UHFFFAOYSA-N 2 0 374.573 3.413 20 0 FGADRP CC[NH+](CC)C[C@H]1CCCC[C@@H]1NC(=O)NC1CCC([NH+](C)C)CC1 ZINC000422247352 500240803 /nfs/dbraw/zinc/24/08/03/500240803.db2.gz WKFZDCUQYQZGQM-UGXKVIGPSA-N 2 0 352.567 3.059 20 0 FGADRP CCC[N@H+](C)[C@H](CNC(=O)N1CCC[C@@H]([NH2+]C)C1)c1ccc(Cl)cc1 ZINC000418174862 500242874 /nfs/dbraw/zinc/24/28/74/500242874.db2.gz FHIUSKUVSNDGET-QZTJIDSGSA-N 2 0 366.937 3.116 20 0 FGADRP CC(C)c1ccc([C@H]([NH3+])CNC(=O)N2CC[C@H](C[N@H+](C)CC3CC3)C2)cc1 ZINC000418317795 500260938 /nfs/dbraw/zinc/26/09/38/500260938.db2.gz BCXFPYDJLBEMDZ-WIYYLYMNSA-N 2 0 372.557 3.183 20 0 FGADRP C[C@@H](c1ccc(Cl)c(Cl)c1)[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430615277 500262463 /nfs/dbraw/zinc/26/24/63/500262463.db2.gz AYSKEXVOSSVMEZ-ZFWWWQNUSA-N 2 0 370.324 3.198 20 0 FGADRP C[C@H](c1ccc2ccccc2c1)[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430642358 500265650 /nfs/dbraw/zinc/26/56/50/500265650.db2.gz JZLWNKFYZZXLQQ-DYESRHJHSA-N 2 0 351.494 3.045 20 0 FGADRP CC(C)c1ccc([C@H]([NH3+])CNC(=O)N2CC[C@@H]([NH+]3CCCC3)[C@@H]2C)cc1 ZINC000418345516 500266040 /nfs/dbraw/zinc/26/60/40/500266040.db2.gz HIRLBFSNCUSQEO-PWIZWCRZSA-N 2 0 358.530 3.078 20 0 FGADRP CCN(C(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000418356150 500267826 /nfs/dbraw/zinc/26/78/26/500267826.db2.gz XLHQOSQMYAYQNF-UKAVVXHISA-N 2 0 372.557 3.242 20 0 FGADRP CC(C)C[C@@H](C[NH3+])NC(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000418422200 500274446 /nfs/dbraw/zinc/27/44/46/500274446.db2.gz COOYPFCVOZWEBV-RBBKRZOGSA-N 2 0 372.557 3.058 20 0 FGADRP C[NH+](C)C1CCC(NC(=O)Nc2cc(C[NH3+])cc(C(F)(F)F)c2)CC1 ZINC000422566747 500275419 /nfs/dbraw/zinc/27/54/19/500275419.db2.gz TWAIGFXGRKBXJO-UHFFFAOYSA-N 2 0 358.408 3.158 20 0 FGADRP CCCN(CCC[NH+](C)C)C(=O)N[C@@H](C[NH3+])c1ccc2ccccc2c1 ZINC000418481479 500282285 /nfs/dbraw/zinc/28/22/85/500282285.db2.gz CTPQVGTWYFIKQJ-FQEVSTJZSA-N 2 0 356.514 3.213 20 0 FGADRP C[C@@H]([NH3+])[C@H](Cc1ccccc1)NCC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC000422704685 500287993 /nfs/dbraw/zinc/28/79/93/500287993.db2.gz QFZSTNJQOSLAFP-GCJKJVERSA-N 2 0 351.538 3.371 20 0 FGADRP CCOc1ccc(Oc2cc(C[NH2+][C@@H]3CCOC[C@@H]3[C@H](C)[NH3+])ccn2)cc1 ZINC000422710694 500288282 /nfs/dbraw/zinc/28/82/82/500288282.db2.gz LYTLWFOPYSQEOW-CWFSZBLJSA-N 2 0 371.481 3.115 20 0 FGADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCN(c2ccccc2Br)C1 ZINC000422711479 500288541 /nfs/dbraw/zinc/28/85/41/500288541.db2.gz MSMIXQCURJUGGK-OFQRWUPVSA-N 2 0 352.320 3.135 20 0 FGADRP Cc1ccc([C@H](C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)N2CCOCC2)cc1 ZINC000422716285 500289533 /nfs/dbraw/zinc/28/95/33/500289533.db2.gz UEKFHOQSOOCYDJ-ACESQOTJSA-N 2 0 371.569 3.269 20 0 FGADRP c1ccc(CC[N@@H+]2CC[C@H](C[NH2+][C@@H]3CCC[C@H]3[C@@H]3CCCC[NH2+]3)C2)cc1 ZINC000422721868 500289990 /nfs/dbraw/zinc/28/99/90/500289990.db2.gz WFDBEUMCWQOURP-WZYRSQIMSA-N 3 0 355.570 3.451 20 0 FGADRP COc1cccc(OC)c1Oc1ccc(C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])cn1 ZINC000422725859 500290012 /nfs/dbraw/zinc/29/00/12/500290012.db2.gz YUIKBXGQQIMWBB-IAGOWNOFSA-N 2 0 371.481 3.498 20 0 FGADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C1CCN(Cc2ccc(F)cc2)CC1 ZINC000422723362 500290186 /nfs/dbraw/zinc/29/01/86/500290186.db2.gz RDGZNPHJWJSISR-HNNXBMFYSA-N 2 0 356.489 3.303 20 0 FGADRP CSc1nnc(CCC[NH2+][C@@H](C)C[C@H]2CCCCC[NH2+]2)n1CC(C)C ZINC000422727300 500290553 /nfs/dbraw/zinc/29/05/53/500290553.db2.gz HCTPAYBFMLRYDF-DLBZAZTESA-N 2 0 367.607 3.489 20 0 FGADRP C[C@@H]1C[C@H](N(C)C(=O)NC[C@@]2(C)CCC[NH2+]C2)CC[N@@H+]1Cc1ccccc1 ZINC000418550150 500290636 /nfs/dbraw/zinc/29/06/36/500290636.db2.gz TUSBAQNTXQMWRW-UZKOGDIHSA-N 2 0 372.557 3.071 20 0 FGADRP CSc1nnc(CCC[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)n1CC(C)C ZINC000422725982 500291066 /nfs/dbraw/zinc/29/10/66/500291066.db2.gz CWYNTAVMMQYAKV-IRXDYDNUSA-N 2 0 359.543 3.323 20 0 FGADRP CCOC(=O)C1([C@@H](C)[NH2+]CCc2c(Cl)cccc2Cl)CC[NH2+]CC1 ZINC000422739357 500292691 /nfs/dbraw/zinc/29/26/91/500292691.db2.gz LFSBETFMXAQIPW-CYBMUJFWSA-N 2 0 373.324 3.447 20 0 FGADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]CC1(c2cccc(Br)c2)CCC1 ZINC000422742868 500292785 /nfs/dbraw/zinc/29/27/85/500292785.db2.gz SKZZWDLPEIQQAC-JQFCIGGWSA-N 2 0 367.331 3.213 20 0 FGADRP COc1ccc([C@@H](NCc2ccc(F)c(C[NH+](C)C)c2)[C@H]2CCC[NH2+]2)cc1 ZINC000422745336 500292848 /nfs/dbraw/zinc/29/28/48/500292848.db2.gz MDACLELGHNVDKN-FGZHOGPDSA-N 2 0 371.500 3.479 20 0 FGADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C[C@@H](c1ccc(F)cc1)N1CCOCC1 ZINC000422753225 500294255 /nfs/dbraw/zinc/29/42/55/500294255.db2.gz FVPBTCBNDUNNMV-QMMLZNLJSA-N 2 0 363.521 3.099 20 0 FGADRP COCc1cc(C[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)ccc1F ZINC000422771119 500295765 /nfs/dbraw/zinc/29/57/65/500295765.db2.gz VKHFXCVQVGLPGR-TZIWHRDSSA-N 2 0 356.441 3.318 20 0 FGADRP CC[NH+](CC)CCN(Cc1cccs1)C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000418625613 500297584 /nfs/dbraw/zinc/29/75/84/500297584.db2.gz QTFATWAVTZBLGV-GOSISDBHSA-N 2 0 366.575 3.119 20 0 FGADRP CCN(C(=O)NCCC1=CC[NH2+]CC1)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000418634168 500298627 /nfs/dbraw/zinc/29/86/27/500298627.db2.gz DVGHZSLXOQSBST-WIYYLYMNSA-N 2 0 370.541 3.163 20 0 FGADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]C[C@H](CO)Cc1c(F)cccc1Cl ZINC000422797247 500298701 /nfs/dbraw/zinc/29/87/01/500298701.db2.gz LRMNXLHUQGUPOQ-NBQZKYEYSA-N 2 0 364.892 3.178 20 0 FGADRP CCOC(=O)C1([C@H](C)[NH2+]Cc2ccc(-c3cccnc3)cc2)CC[NH2+]CC1 ZINC000422801889 500299659 /nfs/dbraw/zinc/29/96/59/500299659.db2.gz CLTRETZLZJUJSY-KRWDZBQOSA-N 2 0 367.493 3.160 20 0 FGADRP COc1ccc(OC)c(C[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000422800540 500299988 /nfs/dbraw/zinc/29/99/88/500299988.db2.gz CDTSIJIFQLJBJP-GHTZIAJQSA-N 2 0 354.450 3.049 20 0 FGADRP CN(CC[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)Cc1ccc(F)cc1 ZINC000422820796 500302055 /nfs/dbraw/zinc/30/20/55/500302055.db2.gz SGCMLGKSARARIX-IRLDBZIGSA-N 2 0 369.484 3.103 20 0 FGADRP FC(F)(F)COCc1ccc(C[NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000422825921 500302575 /nfs/dbraw/zinc/30/25/75/500302575.db2.gz QEINWKLLNXYDHA-RCCFBDPRSA-N 2 0 372.431 3.012 20 0 FGADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CC1CC[NH+](Cc2cccs2)CC1 ZINC000422835862 500304039 /nfs/dbraw/zinc/30/40/39/500304039.db2.gz ZDHCCRDQZYJYCH-OAHLLOKOSA-N 3 0 358.555 3.473 20 0 FGADRP COc1ccccc1N1CCC([NH2+][C@@H](Cc2ccccc2)[C@@H](C)[NH3+])CC1 ZINC000422838976 500304081 /nfs/dbraw/zinc/30/40/81/500304081.db2.gz PILAVEVWTHJRTG-XLIONFOSSA-N 2 0 353.510 3.212 20 0 FGADRP C[C@@H](CCCC[NH3+])NC(=O)N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000418665363 500304072 /nfs/dbraw/zinc/30/40/72/500304072.db2.gz CAGCFYHIHKCMNR-ZWKOTPCHSA-N 2 0 352.567 3.190 20 0 FGADRP C[C@@H](CCCC[NH3+])[NH2+]C[C@@H](c1ccc(C(F)(F)F)cc1)N1CCOCC1 ZINC000422847476 500305345 /nfs/dbraw/zinc/30/53/45/500305345.db2.gz IJIGMXZUZMWQJC-YJBOKZPZSA-N 2 0 373.463 3.186 20 0 FGADRP Cc1cccc([C@H](C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)N2CCOCC2)c1 ZINC000422852168 500305813 /nfs/dbraw/zinc/30/58/13/500305813.db2.gz AEHFFJVAHVNKAB-ODAXIHTASA-N 2 0 371.569 3.269 20 0 FGADRP C[C@@H]1C[C@H](NC(=O)[C@@H]2CCCCCC[C@H]2[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000430910740 500306017 /nfs/dbraw/zinc/30/60/17/500306017.db2.gz XJHOCHLDPSYLMW-CWJKEVGVSA-N 2 0 357.542 3.453 20 0 FGADRP C[NH2+]CC1CC[NH+]([C@H](C)C(=O)N[C@H](C)c2ccc3c(c2)CCCC3)CC1 ZINC000430918545 500306629 /nfs/dbraw/zinc/30/66/29/500306629.db2.gz HTWNFEDQQWBXAO-IAGOWNOFSA-N 2 0 357.542 3.063 20 0 FGADRP C[C@H]([NH3+])C1CC[NH+](CC(=O)N(C)Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000430929162 500308474 /nfs/dbraw/zinc/30/84/74/500308474.db2.gz WPQMNCNEMDFLDW-LBPRGKRZSA-N 2 0 358.313 3.011 20 0 FGADRP C[NH2+]CC1CC[NH+](CCC(=O)N[C@H](c2cccs2)c2ccccc2)CC1 ZINC000430929463 500308568 /nfs/dbraw/zinc/30/85/68/500308568.db2.gz XDMADYGKPZMKAP-NRFANRHFSA-N 2 0 371.550 3.275 20 0 FGADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]CC1(c2ccc(Br)cc2)CCOCC1 ZINC000422875701 500308945 /nfs/dbraw/zinc/30/89/45/500308945.db2.gz CWTIKAVQRXCPJR-KGLIPLIRSA-N 2 0 355.320 3.213 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000422874811 500308954 /nfs/dbraw/zinc/30/89/54/500308954.db2.gz DGFHINUXFQRWBU-RLLPEYFOSA-N 3 0 371.569 3.308 20 0 FGADRP FC(F)(F)c1cnc(N2CC[C@H]([NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)c(Cl)c1 ZINC000422874389 500309021 /nfs/dbraw/zinc/30/90/21/500309021.db2.gz NTGZUUQHEMBBFM-WJLOJVBCSA-N 2 0 374.838 3.205 20 0 FGADRP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000422880299 500309437 /nfs/dbraw/zinc/30/94/37/500309437.db2.gz WRVIYXAJVJVPFN-DGCLKSJQSA-N 2 0 364.843 3.440 20 0 FGADRP C[C@H](CCCC[NH3+])[NH2+][C@@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1 ZINC000422878595 500309582 /nfs/dbraw/zinc/30/95/82/500309582.db2.gz JIMRNPWBTBFSKS-PBHICJAKSA-N 2 0 371.447 3.476 20 0 FGADRP CCOC(=O)C1([C@H](C)[NH2+][C@H](C)c2cccc(OC(F)F)c2)CC[NH2+]CC1 ZINC000422880085 500309662 /nfs/dbraw/zinc/30/96/62/500309662.db2.gz LPCYESBPWUQEIK-KGLIPLIRSA-N 2 0 370.440 3.260 20 0 FGADRP COC[C@H](CCC[NH3+])[NH2+]C[C@@H](c1ccccc1)N1CCc2sccc2C1 ZINC000422883277 500310434 /nfs/dbraw/zinc/31/04/34/500310434.db2.gz QIYADRCKAYGOEQ-PMACEKPBSA-N 2 0 373.566 3.191 20 0 FGADRP C[C@H](CCC[NH3+])[NH2+][C@@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1 ZINC000422885033 500310643 /nfs/dbraw/zinc/31/06/43/500310643.db2.gz SZRKGPVNCQUQHX-CJNGLKHVSA-N 2 0 357.420 3.086 20 0 FGADRP CC[N@H+](CCC1CCN(C(=O)NC[C@H]2CCC[C@H]([NH3+])C2)CC1)CC1CC1 ZINC000418721215 500312391 /nfs/dbraw/zinc/31/23/91/500312391.db2.gz MAGFFIMCTNXGAZ-PMACEKPBSA-N 2 0 364.578 3.048 20 0 FGADRP Cc1nccn1-c1ccc(C[NH2+][C@@H](C)c2ccc(C[NH3+])nc2C)cc1F ZINC000422903657 500313710 /nfs/dbraw/zinc/31/37/10/500313710.db2.gz OSFYJVOLLAFJIA-ZDUSSCGKSA-N 2 0 353.445 3.333 20 0 FGADRP Cc1nccn1-c1ccc(C[NH2+][C@H](C)c2ccc(C[NH3+])nc2C)cc1F ZINC000422903656 500313905 /nfs/dbraw/zinc/31/39/05/500313905.db2.gz OSFYJVOLLAFJIA-CYBMUJFWSA-N 2 0 353.445 3.333 20 0 FGADRP Cc1cc(C)n(-c2ccc(C[NH2+][C@H](C)C3C[NH2+]C3)c(C(F)(F)F)c2)n1 ZINC000422907791 500314303 /nfs/dbraw/zinc/31/43/03/500314303.db2.gz XOHGLZGQQBLBFF-CYBMUJFWSA-N 2 0 352.404 3.205 20 0 FGADRP CCOC(=O)C1([C@H](C)[NH2+][C@@H]2CCSc3ccc(F)cc32)CC[NH2+]CC1 ZINC000422909009 500315478 /nfs/dbraw/zinc/31/54/78/500315478.db2.gz FBHIRDKDXHGHJX-XJKSGUPXSA-N 2 0 366.502 3.274 20 0 FGADRP CCOC(=O)C1([C@@H](C)[NH2+]C[C@@H](C)Oc2ccccc2Cl)CC[NH2+]CC1 ZINC000422919972 500316725 /nfs/dbraw/zinc/31/67/25/500316725.db2.gz LGLQBKBCDJTGJH-HUUCEWRRSA-N 2 0 368.905 3.018 20 0 FGADRP C[C@@H]1C[NH+](CCC2CC[NH+](CCc3ccc4c(c3)CCO4)CC2)C[C@@H](C)O1 ZINC000426804082 500322751 /nfs/dbraw/zinc/32/27/51/500322751.db2.gz RSPILWNOWDUKQY-RTBURBONSA-N 2 0 372.553 3.375 20 0 FGADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]C1CCN(C(=O)NC2CCCCC2)CC1 ZINC000422952593 500323165 /nfs/dbraw/zinc/32/31/65/500323165.db2.gz BKYQSVJXOFDSLM-UWJYYQICSA-N 2 0 372.557 3.041 20 0 FGADRP CCc1noc(-c2ccc(CC[NH2+][C@@H](Cc3ccccc3)[C@@H](C)[NH3+])cc2)n1 ZINC000422952799 500323358 /nfs/dbraw/zinc/32/33/58/500323358.db2.gz DJHANLPNESVEEY-UZLBHIALSA-N 2 0 364.493 3.390 20 0 FGADRP COC[C@@H](CCC[NH3+])[NH2+]C[C@H](C)Sc1ccc(Br)cc1 ZINC000422953523 500323403 /nfs/dbraw/zinc/32/34/03/500323403.db2.gz FUMFANACFVQLBB-GXTWGEPZSA-N 2 0 361.349 3.273 20 0 FGADRP CCCN(C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000418788878 500323546 /nfs/dbraw/zinc/32/35/46/500323546.db2.gz LMSPVGSJNMROJC-NJDAHSKKSA-N 2 0 372.557 3.200 20 0 FGADRP C[C@H](C[C@H]1CCCCC[NH2+]1)Nc1ccc(N2CCC([NH+](C)C)CC2)cn1 ZINC000422955453 500323519 /nfs/dbraw/zinc/32/35/19/500323519.db2.gz LXCNQTBDKPSKHY-QZTJIDSGSA-N 2 0 359.562 3.335 20 0 FGADRP O=C1CCCN1Cc1cccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)c1 ZINC000422958297 500323804 /nfs/dbraw/zinc/32/38/04/500323804.db2.gz PCQIGRBYTPYGJT-PCCBWWKXSA-N 2 0 355.526 3.209 20 0 FGADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CCNc1cccc(Br)c1 ZINC000422961177 500324214 /nfs/dbraw/zinc/32/42/14/500324214.db2.gz AYVXQSXBIBZGLS-LBPRGKRZSA-N 2 0 363.303 3.374 20 0 FGADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCNc1cccc(Br)c1 ZINC000422965951 500324731 /nfs/dbraw/zinc/32/47/31/500324731.db2.gz QHYFRTYRICPCFS-KBXCAEBGSA-N 2 0 362.315 3.409 20 0 FGADRP CCOC(=O)C1([C@H](C)[NH2+]Cc2ccc(-c3ccccc3)o2)CC[NH2+]CC1 ZINC000422967134 500324935 /nfs/dbraw/zinc/32/49/35/500324935.db2.gz BGGWTUZFWQLMFP-INIZCTEOSA-N 2 0 356.466 3.358 20 0 FGADRP COc1ccc(COCC[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422986720 500327358 /nfs/dbraw/zinc/32/73/58/500327358.db2.gz HEPXKKYAPXLAID-IRLDBZIGSA-N 2 0 368.477 3.057 20 0 FGADRP FC(F)(F)c1cccnc1OCC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000423001162 500329973 /nfs/dbraw/zinc/32/99/73/500329973.db2.gz WTSXSUDASPSNHD-NUEKZKHPSA-N 2 0 357.420 3.380 20 0 FGADRP CCOC(=O)C1([C@@H](C)[NH2+]CCCCc2ccc(F)c(F)c2)CC[NH2+]CC1 ZINC000423053387 500336268 /nfs/dbraw/zinc/33/62/68/500336268.db2.gz RVXNNKKBZYRLHG-OAHLLOKOSA-N 2 0 368.468 3.199 20 0 FGADRP CCOC(=O)C1([C@H](C)[NH2+]Cc2ccc(C(F)(F)F)cc2C)CC[NH2+]CC1 ZINC000423057326 500336692 /nfs/dbraw/zinc/33/66/92/500336692.db2.gz HASISKASBRSAOT-AWEZNQCLSA-N 2 0 372.431 3.425 20 0 FGADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@]1(Cc2ccc(F)cc2)CCC[C@H]1O ZINC000423071581 500338705 /nfs/dbraw/zinc/33/87/05/500338705.db2.gz FQBSSZWCBWMPMZ-ITEAAPOESA-N 2 0 371.500 3.412 20 0 FGADRP OC[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1)Cc1ccc(F)c(F)c1 ZINC000423079585 500339243 /nfs/dbraw/zinc/33/92/43/500339243.db2.gz QYWFRQIFRPHXOD-ACZWYYKOSA-N 2 0 352.469 3.016 20 0 FGADRP O[C@@H]1CCC[C@]1(C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)Cc1ccc(F)cc1 ZINC000423079392 500339576 /nfs/dbraw/zinc/33/95/76/500339576.db2.gz YFYGQZDNNVJACJ-ZGJYDULXSA-N 2 0 360.517 3.410 20 0 FGADRP C[C@H](CCCC[NH3+])[NH2+]C1CCN(Cc2coc(-c3ccccc3)n2)CC1 ZINC000423086118 500340433 /nfs/dbraw/zinc/34/04/33/500340433.db2.gz LHJUMWTURAPKPX-QGZVFWFLSA-N 2 0 356.514 3.413 20 0 FGADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+][C@H]1C[C@H](c2ccc(F)c(Br)c2)C1 ZINC000423093046 500341039 /nfs/dbraw/zinc/34/10/39/500341039.db2.gz FNBCYGZJFSTGPE-ATDMTPKLSA-N 2 0 371.294 3.176 20 0 FGADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]C[C@H](OCC1CC1)c1ccc(Cl)cc1 ZINC000423099531 500342028 /nfs/dbraw/zinc/34/20/28/500342028.db2.gz FJKZHMAKFYXQET-YFYLHZKVSA-N 2 0 352.906 3.150 20 0 FGADRP FC(F)O[C@@H]1CCCC[C@H]1[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423103509 500342431 /nfs/dbraw/zinc/34/24/31/500342431.db2.gz AUCPWSPGUYUIFM-LORHWOILSA-N 2 0 352.425 3.382 20 0 FGADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@H](Cc1ccc(F)cc1)[C@@H]1COc2ccccc2O1 ZINC000423121328 500345232 /nfs/dbraw/zinc/34/52/32/500345232.db2.gz AUOJZCIWCMSVCD-XHHGLIPKSA-N 2 0 358.457 3.292 20 0 FGADRP Cc1cccc2c1OC[C@H]([NH2+][C@@H]1C[C@@]3(CC[NH2+]C3)Oc3ccccc31)C2 ZINC000423131651 500346717 /nfs/dbraw/zinc/34/67/17/500346717.db2.gz BGTHVUWXBUGYTF-SFGWALBWSA-N 2 0 350.462 3.144 20 0 FGADRP CC(C)Cc1ccc([C@H](CN[C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)[NH+](C)C)cc1 ZINC000423136765 500347439 /nfs/dbraw/zinc/34/74/39/500347439.db2.gz ZHOOESGEJQZFIN-ACESQOTJSA-N 2 0 373.585 3.235 20 0 FGADRP O=S(=O)(CCC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)c1ccc(Cl)cc1 ZINC000423143881 500348053 /nfs/dbraw/zinc/34/80/53/500348053.db2.gz FHNQFJYLTNNYCW-KZNAEPCWSA-N 2 0 370.946 3.014 20 0 FGADRP CO[C@H](C[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)Cc1ccccc1 ZINC000423166019 500350383 /nfs/dbraw/zinc/35/03/83/500350383.db2.gz YXYXCXIQOCYKMB-VCOUNFBDSA-N 2 0 352.478 3.090 20 0 FGADRP Brc1ccc(/C=C\C[NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000423165976 500350390 /nfs/dbraw/zinc/35/03/90/500350390.db2.gz YRLIYBSSCPCKPQ-XLIXQPEMSA-N 2 0 365.315 3.209 20 0 FGADRP Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)[NH2+]CCCN1CC[NH2+]CC1 ZINC000423178971 500351740 /nfs/dbraw/zinc/35/17/40/500351740.db2.gz LPMQZTTUKMMCPV-CQSZACIVSA-N 2 0 362.518 3.204 20 0 FGADRP Brc1cccc([C@@H]([NH2+]C2CC[NH2+]CC2)C2CCOCC2)c1 ZINC000423180141 500351922 /nfs/dbraw/zinc/35/19/22/500351922.db2.gz IFFGOMYOLDRCBB-KRWDZBQOSA-N 2 0 353.304 3.258 20 0 FGADRP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+]2C[C@H](C)[C@@H](C)[C@H]2C)CC1 ZINC000419331548 500354680 /nfs/dbraw/zinc/35/46/80/500354680.db2.gz CYGCMRDOOKLUQF-IPMKNSEASA-N 2 0 357.542 3.052 20 0 FGADRP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+]2C[C@H](C)[C@@H](C)[C@@H]2C)CC1 ZINC000419331550 500354829 /nfs/dbraw/zinc/35/48/29/500354829.db2.gz CYGCMRDOOKLUQF-OTWHNJEPSA-N 2 0 357.542 3.052 20 0 FGADRP FC(F)(F)c1ccn(-c2ccc(C[N@@H+]3CC[C@H]4[NH2+]CC[C@H]4C3)cc2)n1 ZINC000427135212 500357532 /nfs/dbraw/zinc/35/75/32/500357532.db2.gz IBGBVYCZVPDBEG-GOEBONIOSA-N 2 0 350.388 3.075 20 0 FGADRP C[C@@H]([NH2+]Cc1ccc([C@H](C)[NH3+])cc1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000423291050 500361944 /nfs/dbraw/zinc/36/19/44/500361944.db2.gz GLFRTVOUFSEGJH-QWHCGFSZSA-N 2 0 350.459 3.100 20 0 FGADRP C[C@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[NH2+]C[C@@H](C)C[NH3+] ZINC000423302349 500362660 /nfs/dbraw/zinc/36/26/60/500362660.db2.gz HEGJZTCRCVIGDS-VHSXEESVSA-N 2 0 351.800 3.260 20 0 FGADRP C[C@@H]([NH3+])c1ccc(C(=O)NCC(C)(C)[N@@H+]2CCc3ccccc3C2)cc1 ZINC000423332292 500364549 /nfs/dbraw/zinc/36/45/49/500364549.db2.gz QSJZDTCJFNOILL-MRXNPFEDSA-N 2 0 351.494 3.273 20 0 FGADRP C[NH+](C)CCOc1cccc(NC(=O)C(C)(C)[C@H]([NH3+])c2ccccc2)c1 ZINC000423340771 500365109 /nfs/dbraw/zinc/36/51/09/500365109.db2.gz TYAVICKJJGQCIE-LJQANCHMSA-N 2 0 355.482 3.292 20 0 FGADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000423363472 500367360 /nfs/dbraw/zinc/36/73/60/500367360.db2.gz JCXFGWRNXWHHFN-ASKNOMKYSA-N 2 0 351.485 3.311 20 0 FGADRP C[NH2+]CCc1ccccc1C(=O)NCc1cccc(C[N@H+](C)C(C)C)c1 ZINC000423361234 500367362 /nfs/dbraw/zinc/36/73/62/500367362.db2.gz MHVLGRJYRRHDJL-UHFFFAOYSA-N 2 0 353.510 3.219 20 0 FGADRP COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]Cc1ccc2c(c1)C[NH2+]C2 ZINC000423363776 500367549 /nfs/dbraw/zinc/36/75/49/500367549.db2.gz VFKGGXKBOWGMPB-ZDUSSCGKSA-N 2 0 373.884 3.459 20 0 FGADRP CCOc1ccc([C@@H](C)[NH2+]CC2(COC)CC[NH2+]CC2)cc1OCC ZINC000423388393 500369715 /nfs/dbraw/zinc/36/97/15/500369715.db2.gz KOHAPUAOTRHCLP-MRXNPFEDSA-N 2 0 350.503 3.151 20 0 FGADRP COCC1(C[NH2+][C@@H]2CCc3ccc(OC(F)(F)F)cc32)CC[NH2+]CC1 ZINC000423395344 500370428 /nfs/dbraw/zinc/37/04/28/500370428.db2.gz AKHZUCQEKGOOSY-MRXNPFEDSA-N 2 0 358.404 3.178 20 0 FGADRP C[C@H](CNC(=O)C(C)(C)[C@@H]([NH3+])c1ccccc1)[N@H+](C)Cc1ccccc1 ZINC000423400518 500370636 /nfs/dbraw/zinc/37/06/36/500370636.db2.gz FOSCDYSKVFWAHJ-XLIONFOSSA-N 2 0 353.510 3.349 20 0 FGADRP FC(F)(F)[C@@H](C[NH2+][C@H](c1ccc(Cl)cc1)C1CC1)N1CC[NH2+]CC1 ZINC000423404278 500371122 /nfs/dbraw/zinc/37/11/22/500371122.db2.gz ZSGXYWUFXUOOIP-CVEARBPZSA-N 2 0 361.839 3.217 20 0 FGADRP C[C@H](CCc1ccc(I)cc1)[NH2+][C@H]1CC[NH2+]C[C@H]1C ZINC000423406311 500371315 /nfs/dbraw/zinc/37/13/15/500371315.db2.gz UPRHEQZPHRLJFK-IOASZLSFSA-N 2 0 372.294 3.200 20 0 FGADRP COCC1(C[NH2+][C@@H](C)c2sc(-c3cccnc3)nc2C)CC[NH2+]CC1 ZINC000423411598 500372332 /nfs/dbraw/zinc/37/23/32/500372332.db2.gz UYFJWQCDZMXFRV-AWEZNQCLSA-N 2 0 360.527 3.180 20 0 FGADRP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CCCC[C@H](N2C(=O)c3ccccc3C2=O)C1 ZINC000423422117 500373771 /nfs/dbraw/zinc/37/37/71/500373771.db2.gz CUGJPEGIWBRUAV-ZACQAIPSSA-N 2 0 357.498 3.091 20 0 FGADRP C[C@H]1CC[N@H+](CCOc2ccc(NC(=O)C[C@H]3CCC[NH2+]CC3)cc2)C1 ZINC000427275916 500376966 /nfs/dbraw/zinc/37/69/66/500376966.db2.gz VEEMTODHOQMPIP-ROUUACIJSA-N 2 0 359.514 3.126 20 0 FGADRP O=C(C[C@@H]1CCC[NH2+]CC1)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000427297169 500379199 /nfs/dbraw/zinc/37/91/99/500379199.db2.gz YFDKUTLEHHWKOE-LJQANCHMSA-N 2 0 357.542 3.459 20 0 FGADRP Clc1ccccc1C[C@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)C1CC1 ZINC000423511399 500380458 /nfs/dbraw/zinc/38/04/58/500380458.db2.gz OVSMNVUWBQZRLS-GRERDSQWSA-N 2 0 361.961 3.467 20 0 FGADRP [NH3+]C1(CNC2CC[NH+](CCc3ccccc3)CC2)C2CC3CC(C2)CC1C3 ZINC000423517244 500381153 /nfs/dbraw/zinc/38/11/53/500381153.db2.gz BKLBEINZJZOPFV-UHFFFAOYSA-N 2 0 367.581 3.437 20 0 FGADRP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)c1ccccc1I ZINC000423542178 500383803 /nfs/dbraw/zinc/38/38/03/500383803.db2.gz LWSXJKDISDGIIE-REWJHTLYSA-N 2 0 370.278 3.330 20 0 FGADRP CC[NH+](CC)[C@H](C(=O)N1CC[C@@H]([NH3+])[C@@H]1C)c1cccc(C(F)(F)F)c1 ZINC000423646320 500391921 /nfs/dbraw/zinc/39/19/21/500391921.db2.gz LTGLNJROWHEQEE-MAZHCROVSA-N 2 0 357.420 3.036 20 0 FGADRP CC[C@H](C(=O)Nc1ccc2c(c1)C[NH2+]CCO2)[N@H+](C)Cc1ccccc1 ZINC000423651778 500392415 /nfs/dbraw/zinc/39/24/15/500392415.db2.gz QFCWVTCQMXAMMQ-LJQANCHMSA-N 2 0 353.466 3.018 20 0 FGADRP O=C(NC[C@@H]1CCCC[N@@H+]1C1CC1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000427444877 500394086 /nfs/dbraw/zinc/39/40/86/500394086.db2.gz VJYFHQXQAOJNNV-NRFANRHFSA-N 2 0 355.526 3.419 20 0 FGADRP C[C@H]([NH3+])c1ccc(C(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2F)cc1 ZINC000423749770 500399060 /nfs/dbraw/zinc/39/90/60/500399060.db2.gz SGECYOXZTTUXJT-AWEZNQCLSA-N 2 0 361.436 3.189 20 0 FGADRP [NH3+]C1CC[NH+](CCCC(=O)N2CCCC[C@H]2CCc2ccccc2)CC1 ZINC000423756916 500399519 /nfs/dbraw/zinc/39/95/19/500399519.db2.gz LOHSIHQLOWNDFF-NRFANRHFSA-N 2 0 357.542 3.204 20 0 FGADRP C[NH2+]CCCC(=O)N(CCC[NH+](C)C)Cc1ccc(Cl)c(Cl)c1 ZINC000423757201 500399542 /nfs/dbraw/zinc/39/95/42/500399542.db2.gz HTYWDJGJWDWGSX-UHFFFAOYSA-N 2 0 360.329 3.273 20 0 FGADRP C[C@@H]([NH3+])c1ccc(C(=O)N(CCCc2ccccc2)CC[NH+](C)C)cc1 ZINC000423754858 500399739 /nfs/dbraw/zinc/39/97/39/500399739.db2.gz ZFQGDDCGXOICMY-GOSISDBHSA-N 2 0 353.510 3.343 20 0 FGADRP CC(C)CC[NH+]1CCC(CNC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000431650965 500403185 /nfs/dbraw/zinc/40/31/85/500403185.db2.gz HCLQERJKBNMWMZ-NRFANRHFSA-N 2 0 374.573 3.347 20 0 FGADRP CC[C@]1(C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)CCC[NH2+]1 ZINC000423897080 500417380 /nfs/dbraw/zinc/41/73/80/500417380.db2.gz HCEDBTFJYJIMHT-RZUBCFFCSA-N 2 0 355.526 3.032 20 0 FGADRP [NH3+][C@@H]1CCC[C@H]1CC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000423907639 500418524 /nfs/dbraw/zinc/41/85/24/500418524.db2.gz RONUYNURHYDODC-UWHLTILDSA-N 2 0 355.526 3.017 20 0 FGADRP CC(C)[C@H](C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1)[C@@H](C)[NH3+] ZINC000423917977 500419061 /nfs/dbraw/zinc/41/90/61/500419061.db2.gz ZRORKTWXNMFHGS-PMXSJFBMSA-N 2 0 357.542 3.119 20 0 FGADRP CC1CCC(O)(C[NH+]2CCC(CC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)CC1 ZINC000427675928 500419656 /nfs/dbraw/zinc/41/96/56/500419656.db2.gz BRBDEIJPHCCWMF-JMDAGXMHSA-N 2 0 352.563 3.139 20 0 FGADRP C[C@@H](CNC(=O)C[C@@H](c1ccccc1)[NH+](C)C)[N@@H+]1CCc2ccccc2C1 ZINC000431778002 500423141 /nfs/dbraw/zinc/42/31/41/500423141.db2.gz FXKIAJAOVLPSCG-AVRDEDQJSA-N 2 0 365.521 3.242 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)C[C@@H](c1ccccc1)[NH+](C)C)c1ccco1 ZINC000431781076 500423669 /nfs/dbraw/zinc/42/36/69/500423669.db2.gz ISQMGBWMPWVQRP-OALUTQOASA-N 2 0 357.498 3.472 20 0 FGADRP CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+]CC1(SC)CC[NH+](C)CC1 ZINC000579532671 506196279 /nfs/dbraw/zinc/19/62/79/506196279.db2.gz LUQVKSXNCHVEAI-QGZVFWFLSA-N 2 0 366.571 3.442 20 0 FGADRP CSc1ccc([C@H](CNC(=O)Nc2cc(C)ncc2C)[NH+](C)C)cc1 ZINC000573441757 506194898 /nfs/dbraw/zinc/19/48/98/506194898.db2.gz YIFPHPPTXNGENG-SFHVURJKSA-N 2 0 358.511 3.267 20 0 FGADRP CC[N@H+](Cc1ccc(C(=O)N2CC[NH2+]C[C@@H]2c2ccccc2)cc1)C1CC1 ZINC000424011810 500436087 /nfs/dbraw/zinc/43/60/87/500436087.db2.gz ZFJDIPPBCIMXHI-JOCHJYFZSA-N 2 0 363.505 3.458 20 0 FGADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CCOc3cc(F)cc(Br)c3)C[C@H]21 ZINC000420299946 500436861 /nfs/dbraw/zinc/43/68/61/500436861.db2.gz BYHRAXCUBGWFPG-HFBAOOFYSA-N 2 0 357.267 3.026 20 0 FGADRP O=C(Nc1ccc(F)cc1)[C@@H](c1ccccc1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000420300648 500436944 /nfs/dbraw/zinc/43/69/44/500436944.db2.gz CWMJERMLTNTFIW-TZIWHRDSSA-N 2 0 353.441 3.191 20 0 FGADRP CCOc1ccccc1NC(=O)[C@H](c1ccccc1)N1CC[C@@H](C[NH3+])C1 ZINC000420304550 500437506 /nfs/dbraw/zinc/43/75/06/500437506.db2.gz YFFWGCQWJSSNLH-JXFKEZNVSA-N 2 0 353.466 3.046 20 0 FGADRP CCOc1ccccc1NC(=O)[C@H](c1ccccc1)N1CC[C@H](C[NH3+])C1 ZINC000420304553 500437576 /nfs/dbraw/zinc/43/75/76/500437576.db2.gz YFFWGCQWJSSNLH-UZLBHIALSA-N 2 0 353.466 3.046 20 0 FGADRP COc1ccc([C@@H](C[NH3+])C[N@H+](C)[C@@H]2CCCN(c3ccccc3)C2)cc1 ZINC000420317828 500441060 /nfs/dbraw/zinc/44/10/60/500441060.db2.gz NGHGNKGDWREZMC-PZJWPPBQSA-N 2 0 353.510 3.338 20 0 FGADRP O=C(c1cccc(C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1)N1CCCCC1 ZINC000420324177 500441622 /nfs/dbraw/zinc/44/16/22/500441622.db2.gz GWVLTTJEYZNXKJ-NHCUHLMSSA-N 2 0 355.526 3.134 20 0 FGADRP CCN(C(=O)C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1)[C@@H](C)c1ccc(F)cc1 ZINC000420333536 500443608 /nfs/dbraw/zinc/44/36/08/500443608.db2.gz HREKUMISZKMUSN-JXFKEZNVSA-N 2 0 361.505 3.199 20 0 FGADRP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](CCOc2ccc(Cl)c(F)c2)CC1 ZINC000420367903 500448583 /nfs/dbraw/zinc/44/85/83/500448583.db2.gz AJFJBBXBTMPYIY-QZTJIDSGSA-N 2 0 356.869 3.076 20 0 FGADRP C[C@@H]1[C@H](c2ccc(Br)cc2)OCC[N@@H+]1CC[C@H]1CC[NH2+]C1 ZINC000420366127 500448628 /nfs/dbraw/zinc/44/86/28/500448628.db2.gz FNBASCBSCVLGBH-CKEIUWERSA-N 2 0 353.304 3.211 20 0 FGADRP [NH3+][C@H]1CCCO[C@@H]1C1CC[NH+](CCOc2ccc3ccccc3c2)CC1 ZINC000420386074 500452829 /nfs/dbraw/zinc/45/28/29/500452829.db2.gz UPIYPUHWQYYRLD-FCHUYYIVSA-N 2 0 354.494 3.437 20 0 FGADRP [NH3+][C@@H]1CCO[C@@H](C2CC[NH+](CCOc3ccc4ccccc4c3)CC2)C1 ZINC000420388032 500453745 /nfs/dbraw/zinc/45/37/45/500453745.db2.gz KRBQPLCCAGGOFW-IFMALSPDSA-N 2 0 354.494 3.437 20 0 FGADRP CC(C)c1ccc([C@H](C)[N@@H+]2CC[C@H]3[C@@H](C2)NC(=O)N3C2CC[NH2+]CC2)cc1 ZINC000420411132 500457468 /nfs/dbraw/zinc/45/74/68/500457468.db2.gz XFJYUQMEDIBUQO-DQLDELGASA-N 2 0 370.541 3.091 20 0 FGADRP CCN1CC[NH+](CCCC[NH2+][C@@H](Cc2ccncc2)c2cccs2)CC1 ZINC000424258949 500476255 /nfs/dbraw/zinc/47/62/55/500476255.db2.gz CLWYTDUWSGDXFS-FQEVSTJZSA-N 2 0 372.582 3.434 20 0 FGADRP C[NH+]1CCC(C[NH2+][C@H](C2CCC2)C2CCCCC2)(N2CCOCC2)CC1 ZINC000424277843 500480648 /nfs/dbraw/zinc/48/06/48/500480648.db2.gz BALHPFGYTNRFDP-NRFANRHFSA-N 2 0 363.590 3.122 20 0 FGADRP C[C@H]1CC2(C[N@@H+]1CCOc1cc(F)cc(Br)c1)CC[NH2+]CC2 ZINC000424286680 500481928 /nfs/dbraw/zinc/48/19/28/500481928.db2.gz HRPILWIFVRQQFJ-ZDUSSCGKSA-N 2 0 371.294 3.431 20 0 FGADRP C[C@H]1CC2(C[N@@H+]1CCC(=O)N[C@H]1CCCc3ccccc31)CC[NH2+]CC2 ZINC000424301161 500483287 /nfs/dbraw/zinc/48/32/87/500483287.db2.gz XHHLCPNPYQRNCE-PXNSSMCTSA-N 2 0 355.526 3.034 20 0 FGADRP [NH3+][C@@H]1CCCC[C@H]1[NH2+]CCC(=O)N[C@@H](c1cccs1)c1ccccc1 ZINC000424341239 500488907 /nfs/dbraw/zinc/48/89/07/500488907.db2.gz ZNRNZUBQFKQFRX-MBOZVWFJSA-N 2 0 357.523 3.203 20 0 FGADRP C[C@@H]1CC2(C[N@@H+]1Cc1ccccc1N(C)C1CC[NH+](C)CC1)CC[NH2+]CC2 ZINC000424371675 500493361 /nfs/dbraw/zinc/49/33/61/500493361.db2.gz DXYSZXUNPCBDQJ-LJQANCHMSA-N 3 0 370.585 3.181 20 0 FGADRP COc1sc(C[N@@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)cc1Br ZINC000424388058 500495487 /nfs/dbraw/zinc/49/54/87/500495487.db2.gz ZBWVJFJONRLOJQ-LLVKDONJSA-N 2 0 359.333 3.483 20 0 FGADRP CC[NH+]1CCC(N2CCC[N@H+](Cc3ccc(OC(C)C)cc3)CC2)CC1 ZINC000420984380 500547910 /nfs/dbraw/zinc/54/79/10/500547910.db2.gz SVDNFTIQQHRBAL-UHFFFAOYSA-N 2 0 359.558 3.466 20 0 FGADRP CC[N@@H+]1C[C@H](C)N(C(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)C[C@@H]1C ZINC000428800286 500558778 /nfs/dbraw/zinc/55/87/78/500558778.db2.gz LKYHWEZRRXLXGU-OALUTQOASA-N 2 0 357.542 3.230 20 0 FGADRP C[C@@H]1C[C@H](N(C)C(=O)NCC[NH+]2CCC3(CCCCC3)CC2)CC[N@@H+]1C ZINC000442593979 500602804 /nfs/dbraw/zinc/60/28/04/500602804.db2.gz KAZLKAZFSRWKIN-RTBURBONSA-N 2 0 364.578 3.157 20 0 FGADRP C[C@@H]1C[C@@H](N(C)C(=O)NCC[NH+]2CCC3(CCCCC3)CC2)CC[N@@H+]1C ZINC000442593971 500602853 /nfs/dbraw/zinc/60/28/53/500602853.db2.gz KAZLKAZFSRWKIN-MOPGFXCFSA-N 2 0 364.578 3.157 20 0 FGADRP CC(C)N1CCC[C@H]([N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)C1=O ZINC000433048151 500613578 /nfs/dbraw/zinc/61/35/78/500613578.db2.gz MCMOHTHJTCUNEK-NRFANRHFSA-N 2 0 369.553 3.374 20 0 FGADRP C[NH+](C)CCOCC[NH2+][C@H]1CCSc2ccc(Br)cc21 ZINC000447593750 500631428 /nfs/dbraw/zinc/63/14/28/500631428.db2.gz URNDHWZIOHFORO-AWEZNQCLSA-N 2 0 359.333 3.154 20 0 FGADRP CC(C)(C)c1nc2cc(NC(=O)CCC[NH+]3CCC([NH3+])CC3)ccc2o1 ZINC000433130024 500632226 /nfs/dbraw/zinc/63/22/26/500632226.db2.gz QDKLLUWUONLYPW-UHFFFAOYSA-N 2 0 358.486 3.267 20 0 FGADRP Cc1cccc(-c2ccc(CNC(=O)CCC[NH+]3CCC([NH3+])CC3)cc2)c1 ZINC000433152654 500636208 /nfs/dbraw/zinc/63/62/08/500636208.db2.gz SLYYKJYUOFZADT-UHFFFAOYSA-N 2 0 365.521 3.482 20 0 FGADRP CSc1ccccc1[C@@H](C)[NH2+][C@@H](CC(C)C)C(=O)NCC[NH+](C)C ZINC000442870622 500636945 /nfs/dbraw/zinc/63/69/45/500636945.db2.gz GHVIDIUGXXKXDH-WBVHZDCISA-N 2 0 351.560 3.152 20 0 FGADRP [NH3+]C1CC[NH+](CCCC(=O)Nc2cccc(Oc3ccccn3)c2)CC1 ZINC000433164548 500637188 /nfs/dbraw/zinc/63/71/88/500637188.db2.gz ROIHWJRSGIQLDV-UHFFFAOYSA-N 2 0 354.454 3.016 20 0 FGADRP C[C@@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)c1cc(Br)ccc1F ZINC000442880224 500638518 /nfs/dbraw/zinc/63/85/18/500638518.db2.gz WZUTZWPKQVPHEV-CYBMUJFWSA-N 2 0 372.326 3.265 20 0 FGADRP COc1ccc(C[N@@H+]2CCC[C@@H](CC[NH3+])C2)cc1OCc1cccnc1 ZINC000442932600 500649026 /nfs/dbraw/zinc/64/90/26/500649026.db2.gz YDKCWMMLUGDZPX-KRWDZBQOSA-N 2 0 355.482 3.230 20 0 FGADRP CSCC1CCC([NH2+][C@H](CN2CC[NH+](C)CC2)c2ccccc2)CC1 ZINC000570640160 506209375 /nfs/dbraw/zinc/20/93/75/506209375.db2.gz IQSXEYQCNPLOKR-DQVLVPHSSA-N 2 0 361.599 3.487 20 0 FGADRP COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443061206 500671439 /nfs/dbraw/zinc/67/14/39/500671439.db2.gz RDLHVWLPSWMXCB-ZIAGYGMSSA-N 2 0 353.894 3.045 20 0 FGADRP Cc1nn(C)c(C[NH2+]CCCC[N@H+]2CCC[C@H](C)C2)c1Br ZINC000447934966 500692686 /nfs/dbraw/zinc/69/26/86/500692686.db2.gz CPMQPABVPBJYED-ZDUSSCGKSA-N 2 0 357.340 3.093 20 0 FGADRP C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]C1CCC([NH3+])CC1 ZINC000437800503 500698714 /nfs/dbraw/zinc/69/87/14/500698714.db2.gz NIWPZLRRSBAKCK-LMWSTFAQSA-N 2 0 354.292 3.026 20 0 FGADRP O=C(NC[C@H]1CCC[N@@H+]1C1CCCCC1)NC1CC([NH+]2CCCCC2)C1 ZINC000437857910 500708033 /nfs/dbraw/zinc/70/80/33/500708033.db2.gz IZNMKSADGJIJRF-SKINQDTJSA-N 2 0 362.562 3.100 20 0 FGADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)C1 ZINC000448214041 500734082 /nfs/dbraw/zinc/73/40/82/500734082.db2.gz PABTYKHVAJKPJU-SLFFLAALSA-N 2 0 366.594 3.022 20 0 FGADRP C[C@H](NC(=O)NC[C@@H]1[N@H+](C)CCCC1(C)C)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000448252166 500738952 /nfs/dbraw/zinc/73/89/52/500738952.db2.gz LZHVGDACBGMKDT-SCTDSRPQSA-N 2 0 364.578 3.059 20 0 FGADRP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](C[C@H](O)Cc2ccccc2C(F)(F)F)C1 ZINC000443619481 500745906 /nfs/dbraw/zinc/74/59/06/500745906.db2.gz QQMGVEFISVVENE-FUHWJXTLSA-N 2 0 370.459 3.273 20 0 FGADRP CN(c1ccccc1C[N@@H+]1CCO[C@@H](C(C)(C)C)C1)C1CC[NH+](C)CC1 ZINC000448354874 500752265 /nfs/dbraw/zinc/75/22/65/500752265.db2.gz LSGMUTRWFSOQGB-OAQYLSRUSA-N 2 0 359.558 3.464 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CC[NH+]([C@@H](C)c3ccccc3)C2)[C@@H](C)C1 ZINC000448468113 500762437 /nfs/dbraw/zinc/76/24/37/500762437.db2.gz UAMWYAGBCUVOAE-MMKMLUHNSA-N 2 0 372.557 3.194 20 0 FGADRP C[NH+]1CCC2(CCCN2C(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)CC1 ZINC000438319471 500768980 /nfs/dbraw/zinc/76/89/80/500768980.db2.gz HNSQHDZJCGTRAE-LJQANCHMSA-N 2 0 362.562 3.053 20 0 FGADRP C[C@@H]1C[N@@H+](CCCC[NH2+]Cc2cnc(C(F)(F)F)s2)C[C@H](C)O1 ZINC000443971118 500785612 /nfs/dbraw/zinc/78/56/12/500785612.db2.gz TXSPATPBMFQCCF-TXEJJXNPSA-N 2 0 351.438 3.141 20 0 FGADRP C[C@H](C(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000444024655 500793877 /nfs/dbraw/zinc/79/38/77/500793877.db2.gz XQWVJJKKSHFBEO-CEXWTWQISA-N 2 0 357.542 3.371 20 0 FGADRP CCCC[N@H+](C)CC1CCN(C(=O)NC[C@@H]2CCCC[NH+]2C2CC2)CC1 ZINC000434346779 500829727 /nfs/dbraw/zinc/82/97/27/500829727.db2.gz NZSYPVSSLOCILL-FQEVSTJZSA-N 2 0 364.578 3.157 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CCCc1sccc1C ZINC000438912203 500834474 /nfs/dbraw/zinc/83/44/74/500834474.db2.gz NYNBHASONLZVLP-SFHVURJKSA-N 2 0 365.587 3.254 20 0 FGADRP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@H](c3ccccc3)C[C@@H]2C)CC1 ZINC000439327893 500885542 /nfs/dbraw/zinc/88/55/42/500885542.db2.gz LFHNWYOIRAPONQ-ICSRJNTNSA-N 2 0 357.542 3.244 20 0 FGADRP CN(c1ccccc1C[NH2+]C[C@@H]1CCCCN1C1CC1)C1CC[NH+](C)CC1 ZINC000434782076 500894318 /nfs/dbraw/zinc/89/43/18/500894318.db2.gz FELHQKFRVAASAA-QFIPXVFZSA-N 2 0 370.585 3.324 20 0 FGADRP COc1cc(C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)cc2ccccc21 ZINC000449037127 500907911 /nfs/dbraw/zinc/90/79/11/500907911.db2.gz MJRBWXMGNKYERY-XMSQKQJNSA-N 2 0 367.537 3.306 20 0 FGADRP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]CCCOC[C@@H]2CCCO2)CC1 ZINC000449066531 500915928 /nfs/dbraw/zinc/91/59/28/500915928.db2.gz CNXDHEXCJGHCPP-UGKGYDQZSA-N 2 0 360.542 3.257 20 0 FGADRP C[C@H](COc1ccc(Cl)c(Cl)c1)[NH2+]CCCC[NH+]1CCOCC1 ZINC000449082849 500920360 /nfs/dbraw/zinc/92/03/60/500920360.db2.gz QGONTTABDCEUNH-CQSZACIVSA-N 2 0 361.313 3.463 20 0 FGADRP C[C@@H]1C[NH+](CCCC[NH2+]Cc2cn(C)nc2-c2ccc(F)cc2)C[C@@H](C)O1 ZINC000449105571 500926235 /nfs/dbraw/zinc/92/62/35/500926235.db2.gz YYLQRKFFITZWPL-IAGOWNOFSA-N 2 0 374.504 3.205 20 0 FGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+]Cc2cccc3c(OC)cccc23)CC1 ZINC000449129409 500931299 /nfs/dbraw/zinc/93/12/99/500931299.db2.gz CBNUWBYVQKFDKV-GOSISDBHSA-N 2 0 355.526 3.212 20 0 FGADRP CC[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1)C1CCCC1 ZINC000449145485 500934535 /nfs/dbraw/zinc/93/45/35/500934535.db2.gz LKQHEMSJLBPTMY-SFTDATJTSA-N 2 0 357.542 3.442 20 0 FGADRP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]CCN(C)CC(F)(F)F)CC1 ZINC000449150123 500935173 /nfs/dbraw/zinc/93/51/73/500935173.db2.gz YQOLFVNKHHUJHH-MRXNPFEDSA-N 2 0 357.464 3.166 20 0 FGADRP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]CCCOC[C@@H]2CCOC2)CC1 ZINC000449162893 500937911 /nfs/dbraw/zinc/93/79/11/500937911.db2.gz KKQHKBXPMFQHKM-FPOVZHCZSA-N 2 0 360.542 3.115 20 0 FGADRP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]C[C@@H](CO)c2ccccc2)CC1 ZINC000449167636 500938760 /nfs/dbraw/zinc/93/87/60/500938760.db2.gz AVSIFXDSOLVJBJ-KNQAVFIVSA-N 2 0 352.522 3.448 20 0 FGADRP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1cn(Cc2ccccc2)nc1-c1cccnc1 ZINC000435373664 500962134 /nfs/dbraw/zinc/96/21/34/500962134.db2.gz NWZLTAQILDHRET-IEBWSBKVSA-N 2 0 361.493 3.163 20 0 FGADRP CC[NH2+]CC1CC[NH+](Cc2ccc(OCc3ccncc3)c(OC)c2)CC1 ZINC000435374829 500962209 /nfs/dbraw/zinc/96/22/09/500962209.db2.gz YTRHXSPDKODVQT-UHFFFAOYSA-N 2 0 369.509 3.491 20 0 FGADRP COc1cccc(-c2nn(C(C)(C)C)cc2C[N@@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)c1 ZINC000435375287 500962376 /nfs/dbraw/zinc/96/23/76/500962376.db2.gz LMKWSTPALKHAEV-NVXWUHKLSA-N 2 0 356.514 3.483 20 0 FGADRP CN(c1ccccc1CN(CC[NH3+])Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000435376923 500963265 /nfs/dbraw/zinc/96/32/65/500963265.db2.gz WFXDPLWDUZTSEK-UHFFFAOYSA-N 2 0 366.553 3.178 20 0 FGADRP COc1cc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)ccc1OCC(F)(F)F ZINC000435376743 500963304 /nfs/dbraw/zinc/96/33/04/500963304.db2.gz UJFLWPHYUQKOTA-ZNMIVQPWSA-N 2 0 358.404 3.196 20 0 FGADRP COC(=O)c1cc2c(o1)c(OC)ccc2C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000435379056 500963767 /nfs/dbraw/zinc/96/37/67/500963767.db2.gz LACFJTBZUHCXIJ-KRWDZBQOSA-N 2 0 372.465 3.192 20 0 FGADRP C[C@@H]([NH3+])[C@H]1CCC[N@H+](Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)C1 ZINC000435383762 500964538 /nfs/dbraw/zinc/96/45/38/500964538.db2.gz JSWMQVSZIAQCTE-HIFRSBDPSA-N 2 0 352.404 3.450 20 0 FGADRP COc1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cc1OCc1cccnc1 ZINC000435383339 500964550 /nfs/dbraw/zinc/96/45/50/500964550.db2.gz GQESNHIBCQHBKZ-XUVXKRRUSA-N 2 0 367.493 3.228 20 0 FGADRP COc1ccc(C[N@H+](C)CC[C@@H]([NH3+])C(C)C)cc1OCc1cccnc1 ZINC000435384286 500965113 /nfs/dbraw/zinc/96/51/13/500965113.db2.gz LLLVFTLKBNFYKR-LJQANCHMSA-N 2 0 357.498 3.474 20 0 FGADRP CNC(=O)c1ccc(C[N@H+](Cc2ccsc2)[C@@H]2CC23CC[NH2+]CC3)cc1 ZINC000435430486 500974250 /nfs/dbraw/zinc/97/42/50/500974250.db2.gz BYPMRPDCVOYGEI-LJQANCHMSA-N 2 0 369.534 3.252 20 0 FGADRP COc1ccc([C@H](C)C[N@H+](Cc2nccn2C)[C@@H]2CC23CC[NH2+]CC3)cc1 ZINC000435432068 500974739 /nfs/dbraw/zinc/97/47/39/500974739.db2.gz LJUTZNVMFRIMJH-YLJYHZDGSA-N 2 0 368.525 3.177 20 0 FGADRP CNC(=O)c1cccc(C[N@H+](Cc2ccsc2)[C@@H]2CC23CC[NH2+]CC3)c1 ZINC000435684655 501011234 /nfs/dbraw/zinc/01/12/34/501011234.db2.gz WBVWWRCFKBBXJG-LJQANCHMSA-N 2 0 369.534 3.252 20 0 FGADRP CN(c1ccccc1C[NH2+][C@H]([C@H](CO)C1CC1)C1CC1)C1CC[NH+](C)CC1 ZINC000449507157 501020567 /nfs/dbraw/zinc/02/05/67/501020567.db2.gz LSZGDNQVHBVFQK-GGAORHGYSA-N 2 0 371.569 3.104 20 0 FGADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000445974209 501056836 /nfs/dbraw/zinc/05/68/36/501056836.db2.gz KFDYKBKFKFLZID-AZUAARDMSA-N 2 0 372.557 3.023 20 0 FGADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+][C@H]3CCO[C@H](c4nccn4C)C3)CC2)C1 ZINC000449777815 501084200 /nfs/dbraw/zinc/08/42/00/501084200.db2.gz VPFUFXYIHBIGMK-GTAWCEEGSA-N 2 0 360.546 3.273 20 0 FGADRP C[C@@H]1C[N@@H+](CC2CC[NH+](CCCC(=O)c3ccccc3)CC2)C[C@H](C)O1 ZINC000450339480 501094603 /nfs/dbraw/zinc/09/46/03/501094603.db2.gz AQIOLTJJPIZOQR-KDURUIRLSA-N 2 0 358.526 3.471 20 0 FGADRP CC(C)Oc1ccc2[nH+]ccc(N3CCC([N@H+](C)CCCO)CC3)c2c1 ZINC000450341340 501095650 /nfs/dbraw/zinc/09/56/50/501095650.db2.gz ZPNRKNQJMXWJSK-UHFFFAOYSA-N 2 0 357.498 3.305 20 0 FGADRP CC1(C)CCc2ccccc2[C@H]([NH2+]CCC[N@@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000436282580 501101639 /nfs/dbraw/zinc/10/16/39/501101639.db2.gz HKYJQGNAFBRNOE-UYAOXDASSA-N 2 0 357.542 3.267 20 0 FGADRP CC[C@H](Cc1ccc(C)cc1)[N@H+](CC)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000441349160 501125175 /nfs/dbraw/zinc/12/51/75/501125175.db2.gz DZWRZUDBDMMFLZ-OAQYLSRUSA-N 2 0 371.569 3.381 20 0 FGADRP Cc1ccc([C@@H]2CCC[C@H]2[N@H+](C)CC(=O)NC2CC[NH+](C3CC3)CC2)cc1 ZINC000441352976 501126249 /nfs/dbraw/zinc/12/62/49/501126249.db2.gz LGZDPFCDMRXLBI-FCHUYYIVSA-N 2 0 369.553 3.306 20 0 FGADRP Fc1ccc(C[N@@H+]2CC[C@]3(CCOC3)C2)cc1C[NH+]1CC[C@@]2(CCOC2)C1 ZINC000450484849 501133567 /nfs/dbraw/zinc/13/35/67/501133567.db2.gz NIGQVDOOAPVXFD-FCHUYYIVSA-N 2 0 374.500 3.051 20 0 FGADRP C[C@@H]1C[C@@H](N(C)C(=O)NCC2([NH+](C)C)CCC2)CC[N@@H+]1Cc1ccccc1 ZINC000446619623 501142986 /nfs/dbraw/zinc/14/29/86/501142986.db2.gz HTZJZRNWCIXOIK-QUCCMNQESA-N 2 0 372.557 3.165 20 0 FGADRP c1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH2+]CC4CC[NH+](C5CC5)CC4)[C@H]3C2)cc1 ZINC000446882388 501176711 /nfs/dbraw/zinc/17/67/11/501176711.db2.gz DHYXHFHSMXTDSY-PMVMPFDFSA-N 3 0 353.554 3.361 20 0 FGADRP Fc1ccc(-n2cc(C[NH2+]CC3CC[NH+](C4CC4)CC3)nn2)cc1Cl ZINC000446886558 501177440 /nfs/dbraw/zinc/17/74/40/501177440.db2.gz HAHQKFSLNBZLRA-UHFFFAOYSA-N 2 0 363.868 3.024 20 0 FGADRP CO[C@H](Cc1ccccc1)C[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000450716491 501192859 /nfs/dbraw/zinc/19/28/59/501192859.db2.gz YSJUXBQBPQQTLW-JOCHJYFZSA-N 2 0 360.542 3.069 20 0 FGADRP Cc1ccc(Br)cc1C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000450266919 501222061 /nfs/dbraw/zinc/22/20/61/501222061.db2.gz VIXRQOZTPLSSGY-UHFFFAOYSA-N 2 0 367.331 3.302 20 0 FGADRP COC[C@@]1(C)CC[NH+](Cc2cccc(C[N@H+]3CC[C@](C)(COC)C3)c2)C1 ZINC000451201477 501251566 /nfs/dbraw/zinc/25/15/66/501251566.db2.gz KEMHKKDTBFVUKY-VXKWHMMOSA-N 2 0 360.542 3.403 20 0 FGADRP C[C@@H]([NH2+]C[C@H]1CCCN1C)c1ccc(F)c(I)c1 ZINC000453064815 501261380 /nfs/dbraw/zinc/26/13/80/501261380.db2.gz GZSYCALZHOTHFR-ZYHUDNBSSA-N 2 0 362.230 3.175 20 0 FGADRP Cn1cc(CCC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)cn1 ZINC000453084844 501265932 /nfs/dbraw/zinc/26/59/32/501265932.db2.gz GIOOKNYPCHUTJR-BDTNDASRSA-N 2 0 352.526 3.386 20 0 FGADRP O=C1CCCCN1CCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000453088185 501266529 /nfs/dbraw/zinc/26/65/29/501266529.db2.gz ADLBBBFFALNMKO-VSKRKVRLSA-N 2 0 369.553 3.422 20 0 FGADRP COc1ccc(C[NH+]2CCC(C[NH2+][C@@H](Cn3cccn3)C(C)C)CC2)cc1 ZINC000453091409 501266875 /nfs/dbraw/zinc/26/68/75/501266875.db2.gz QAWCIINSAKLFPF-QFIPXVFZSA-N 2 0 370.541 3.418 20 0 FGADRP CC(=O)N1CCC([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)CC1 ZINC000453097629 501268290 /nfs/dbraw/zinc/26/82/90/501268290.db2.gz USWPXDQVIYQCTO-BHDDXSALSA-N 2 0 355.526 3.030 20 0 FGADRP c1ccc(C[N@H+]2CC[C@H]([NH2+]CCCOC[C@@H]3CCOC3)[C@@H]3CCC[C@@H]32)cc1 ZINC000453120982 501273472 /nfs/dbraw/zinc/27/34/72/501273472.db2.gz KMOFODZGVSRKCS-MLCQCVOFSA-N 2 0 372.553 3.462 20 0 FGADRP CC(C)[C@H](CNC(=O)NC1CC[NH+](C2CCC2)CC1)[NH+]1CCCCCC1 ZINC000457635529 501273476 /nfs/dbraw/zinc/27/34/76/501273476.db2.gz YZDLOBBTDNRWER-FQEVSTJZSA-N 2 0 364.578 3.203 20 0 FGADRP CCC(=O)N1CC[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)C1 ZINC000453153531 501280637 /nfs/dbraw/zinc/28/06/37/501280637.db2.gz VFPKNHGVKDDFBW-BURNTYAHSA-N 2 0 355.526 3.030 20 0 FGADRP Cc1cnc(CC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)nc1 ZINC000453179893 501286399 /nfs/dbraw/zinc/28/63/99/501286399.db2.gz PPQOVOHSAFZTKM-PWRODBHTSA-N 2 0 350.510 3.360 20 0 FGADRP COC1([C@H](C)[NH2+]CC[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)CCOCC1 ZINC000453179613 501286440 /nfs/dbraw/zinc/28/64/40/501286440.db2.gz UYIFFJAICJPTRK-IRFCIJBXSA-N 2 0 360.542 3.461 20 0 FGADRP COc1ccc2c(c1)C[C@@H]([NH2+]C[C@H]1CC[N@H+](Cc3ccccc3)C1)CO2 ZINC000453208528 501291709 /nfs/dbraw/zinc/29/17/09/501291709.db2.gz BYDNDIJXIDSGER-UYAOXDASSA-N 2 0 352.478 3.110 20 0 FGADRP c1nc2c([nH]1)C[C@H]([NH2+][C@H]1CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@H]31)CC2 ZINC000453252984 501300154 /nfs/dbraw/zinc/30/01/54/501300154.db2.gz MYOWOBKDUGJDOV-GHDARCQNSA-N 2 0 350.510 3.300 20 0 FGADRP Cc1c([C@H](C)[NH2+]C[C@@H]2CCCCN2CCO)cnn1-c1cc(C)ccc1C ZINC000453278814 501306558 /nfs/dbraw/zinc/30/65/58/501306558.db2.gz ZKDNYNPVMFOUAW-ICSRJNTNSA-N 2 0 370.541 3.295 20 0 FGADRP CC[C@H]([NH2+][C@H]1CCCN(CCCO)C1)c1ccc(OC(F)(F)F)cc1 ZINC000453282273 501307362 /nfs/dbraw/zinc/30/73/62/501307362.db2.gz DIBOFHXYVJVRJX-RDJZCZTQSA-N 2 0 360.420 3.473 20 0 FGADRP CCCOc1c(OC)cc(CC[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)cc1OC ZINC000453305034 501312041 /nfs/dbraw/zinc/31/20/41/501312041.db2.gz GPRIRZNFRWGETA-JFIYKMOQSA-N 2 0 364.530 3.353 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCO[C@@H](c3cccnc3)C2)[C@H](C)C1 ZINC000453333489 501316769 /nfs/dbraw/zinc/31/67/69/501316769.db2.gz ITGAVRCJNYTOEI-AYWYSENESA-N 2 0 361.530 3.028 20 0 FGADRP C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)NC(C)(C)CCC[NH+](C)C)C1 ZINC000457920881 501334931 /nfs/dbraw/zinc/33/49/31/501334931.db2.gz FJIMAUWVBGFIFA-IRXDYDNUSA-N 2 0 354.583 3.163 20 0 FGADRP CC(C)C[NH+]1CCC(NC(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)CC1 ZINC000455892924 501408795 /nfs/dbraw/zinc/40/87/95/501408795.db2.gz CBKAFWZEWWLOBU-FQEVSTJZSA-N 2 0 358.530 3.477 20 0 FGADRP CCC(CC)(CNC(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1)[NH2+][C@@H](C)c1ccccc1 ZINC000458377973 501431271 /nfs/dbraw/zinc/43/12/71/501431271.db2.gz RRXBIHHTMLZAKJ-YSIASYRMSA-N 2 0 372.557 3.242 20 0 FGADRP CCC[NH+]1CCC(NC(=O)N2CC[N@H+](Cc3ccccc3)C[C@@H](C)C2)CC1 ZINC000454217530 501484866 /nfs/dbraw/zinc/48/48/66/501484866.db2.gz IARSTTLGOIHVLO-LJQANCHMSA-N 2 0 372.557 3.024 20 0 FGADRP Cc1ccccc1[C@@H]([C@H](C)NC(=O)NCCCC[N@H+](C)C1CC1)[NH+](C)C ZINC000458759389 501524449 /nfs/dbraw/zinc/52/44/49/501524449.db2.gz GHOYKTJVUDVVIU-FXAWDEMLSA-N 2 0 360.546 3.160 20 0 FGADRP Cc1ccc([C@@H](CNC(=O)NCCCCC[NH+]2CCCC2)[NH+](C)C)cc1 ZINC000454464619 501551589 /nfs/dbraw/zinc/55/15/89/501551589.db2.gz VZHWVDOAIFQZED-HXUWFJFHSA-N 2 0 360.546 3.163 20 0 FGADRP C[C@@H](CCNC(=O)NC1CC[NH+](C2CCC2)CC1)[N@H+](C)Cc1ccccc1 ZINC000454591701 501586097 /nfs/dbraw/zinc/58/60/97/501586097.db2.gz HZABMCYRHPZHRG-SFHVURJKSA-N 2 0 372.557 3.213 20 0 FGADRP CCn1ccnc1[C@H](C)NC(=O)N[C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000454761391 501624211 /nfs/dbraw/zinc/62/42/11/501624211.db2.gz FANDPGNPKGASLV-ZIFCJYIRSA-N 2 0 369.513 3.174 20 0 FGADRP C[C@@H]1C[NH+](CCC2CC[NH+](Cc3cnc(C4CC4)nc3)CC2)C[C@@H](C)O1 ZINC000459359410 501638581 /nfs/dbraw/zinc/63/85/81/501638581.db2.gz QLCFGDURSDYOFR-IAGOWNOFSA-N 2 0 358.530 3.065 20 0 FGADRP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000457078026 501646583 /nfs/dbraw/zinc/64/65/83/501646583.db2.gz AHZYVEIMWADLNK-HXUWFJFHSA-N 2 0 357.542 3.230 20 0 FGADRP C[C@@H](c1ccccc1)N1CC[C@H]([NH2+]C2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000459411016 501649085 /nfs/dbraw/zinc/64/90/85/501649085.db2.gz PWGRLQQTBSYEOZ-RXVVDRJESA-N 3 0 350.510 3.476 20 0 FGADRP C[C@@H](C(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000457094077 501649622 /nfs/dbraw/zinc/64/96/22/501649622.db2.gz ZFAHSBKCTGJVPJ-ZNMIVQPWSA-N 2 0 363.468 3.123 20 0 FGADRP O=c1ccccn1Cc1ccc(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000459475435 501660398 /nfs/dbraw/zinc/66/03/98/501660398.db2.gz QESQARGOMMGHKS-UHFFFAOYSA-N 2 0 374.488 3.050 20 0 FGADRP C[NH+](C)CCN(Cc1ccsc1)C(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000457450222 501700511 /nfs/dbraw/zinc/70/05/11/501700511.db2.gz GNUHTSNNFMWBIK-UHFFFAOYSA-N 2 0 366.575 3.086 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)N(C)[C@@H]1CC[N@@H+](C(C)C)C1)c1ccccc1 ZINC000457464569 501703819 /nfs/dbraw/zinc/70/38/19/501703819.db2.gz VXCMBWSDHOMTQW-UXHICEINSA-N 2 0 360.546 3.194 20 0 FGADRP CC(C)[NH+]1CCC(N2CC[NH+](C[C@H]3CCC4(CCCCC4)O3)CC2)CC1 ZINC000467202412 501735944 /nfs/dbraw/zinc/73/59/44/501735944.db2.gz RRVQQFOIKBHKLI-OAQYLSRUSA-N 2 0 363.590 3.359 20 0 FGADRP COc1ccc([C@H](CNC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)[NH+]2CCCCC2)cc1 ZINC000467293284 501762164 /nfs/dbraw/zinc/76/21/64/501762164.db2.gz JFJCQBYHRNGDEK-UEXGIBASSA-N 2 0 373.541 3.211 20 0 FGADRP C(CC[NH+]1CCOC2(CCCC2)C1)CC[N@@H+]1CCOC2(CCCC2)C1 ZINC000485241320 501767661 /nfs/dbraw/zinc/76/76/61/501767661.db2.gz WYKVLHAEUQFHBJ-UHFFFAOYSA-N 2 0 350.547 3.447 20 0 FGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@H](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000467383512 501782667 /nfs/dbraw/zinc/78/26/67/501782667.db2.gz UANSEZDTQAJCMT-DLBZAZTESA-N 2 0 371.491 3.500 20 0 FGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000467383515 501782809 /nfs/dbraw/zinc/78/28/09/501782809.db2.gz UANSEZDTQAJCMT-SJORKVTESA-N 2 0 371.491 3.500 20 0 FGADRP COc1ccc(Cn2nc(C)c(C[NH2+]CCC3CC[NH+](C)CC3)c2C)cc1 ZINC000463747358 501811110 /nfs/dbraw/zinc/81/11/10/501811110.db2.gz AZUFZMZPALLNGA-UHFFFAOYSA-N 2 0 370.541 3.378 20 0 FGADRP Cc1ccccc1[C@H]([C@H](C)NC(=O)NC1CC[NH+](CC(C)C)CC1)[NH+](C)C ZINC000477877168 501817636 /nfs/dbraw/zinc/81/76/36/501817636.db2.gz KLDXNRAYHALGPU-RXVVDRJESA-N 2 0 374.573 3.406 20 0 FGADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)N(C)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000470885626 501842616 /nfs/dbraw/zinc/84/26/16/501842616.db2.gz FAASFIBDSMGCMR-SFTDATJTSA-N 2 0 372.557 3.167 20 0 FGADRP C[C@@H]([NH2+]CCCC[NH+](C)C)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000481954402 501928170 /nfs/dbraw/zinc/92/81/70/501928170.db2.gz PTNKYXJJECFYSB-MRXNPFEDSA-N 2 0 352.544 3.395 20 0 FGADRP Cc1ccc([C@H](CNC(=O)N(CC[NH+](C)C)C2CCCC2)[NH+](C)C)cc1 ZINC000468061277 501943535 /nfs/dbraw/zinc/94/35/35/501943535.db2.gz KRLSTJVGLFRQLT-FQEVSTJZSA-N 2 0 360.546 3.114 20 0 FGADRP COc1ccc([C@H](C)[C@@H](C)[NH2+]CC2(O)CC[NH+](C(C)C)CC2)cc1OC ZINC000474792855 501954008 /nfs/dbraw/zinc/95/40/08/501954008.db2.gz BTFZASKDXHIZQQ-IAGOWNOFSA-N 2 0 364.530 3.021 20 0 FGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCc2ccn(-c3ccccc3)n2)[C@H](C)C1 ZINC000482038269 501954573 /nfs/dbraw/zinc/95/45/73/501954573.db2.gz YMOCIQRWXXABOT-DENIHFKCSA-N 2 0 370.541 3.141 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)NCC(C)(C)C[NH+]1CCCC1)c1ccco1 ZINC000478414619 501973813 /nfs/dbraw/zinc/97/38/13/501973813.db2.gz VKQMAFXVFYPFDC-QGZVFWFLSA-N 2 0 364.534 3.084 20 0 FGADRP Fc1cccc2c1CC[C@H]2[NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000482111325 501977925 /nfs/dbraw/zinc/97/79/25/501977925.db2.gz AZFPOUNWOLDURK-OAQYLSRUSA-N 2 0 354.473 3.010 20 0 FGADRP CC[NH+]1CCC(NC(=O)C[N@@H+]2C[C@H](c3ccccc3)[C@H]3CCCC[C@@H]32)CC1 ZINC000485910714 501985030 /nfs/dbraw/zinc/98/50/30/501985030.db2.gz XRQWYCGKNDKLIK-VSKRKVRLSA-N 2 0 369.553 3.245 20 0 FGADRP CCC[N@H+](C)CC(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000592878326 506288371 /nfs/dbraw/zinc/28/83/71/506288371.db2.gz JICBRLZQLHEFHY-UHFFFAOYSA-N 2 0 351.922 3.010 20 0 FGADRP C[NH+](C)CCN(C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1)C1CCCC1 ZINC000468324547 502024828 /nfs/dbraw/zinc/02/48/28/502024828.db2.gz WTZBDCSEZUFOCD-OAQYLSRUSA-N 2 0 372.557 3.339 20 0 FGADRP Cc1cccc([C@H](C)[NH2+]CCCC[NH+]2CCN(c3ncccn3)CC2)c1C ZINC000482432847 502066558 /nfs/dbraw/zinc/06/65/58/502066558.db2.gz BSBUSKWNABPZHY-FQEVSTJZSA-N 2 0 367.541 3.346 20 0 FGADRP CC[C@H]([NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1)c1ccc(F)cc1 ZINC000482455901 502073148 /nfs/dbraw/zinc/07/31/48/502073148.db2.gz YPEHOJUDUAIFHG-FQEVSTJZSA-N 2 0 371.504 3.259 20 0 FGADRP CCCN(CCC[NH+](C)C)C(=O)NC[C@@H](c1ccc(C)o1)[NH+]1CCCC1 ZINC000468502036 502082571 /nfs/dbraw/zinc/08/25/71/502082571.db2.gz UWUYWUNLZQPNIX-SFHVURJKSA-N 2 0 364.534 3.098 20 0 FGADRP C[C@H](CCCCN1C(=O)c2ccccc2C1=O)[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000471608255 502085565 /nfs/dbraw/zinc/08/55/65/502085565.db2.gz BLTRBBQDZNZMBN-QGZVFWFLSA-N 2 0 371.525 3.163 20 0 FGADRP Cc1cccc(NC[C@@H]2CC[N@@H+]([C@@H]3CCCN(CC(C)(C)C)C3=O)C2)[nH+]1 ZINC000461394895 502092015 /nfs/dbraw/zinc/09/20/15/502092015.db2.gz QMWWXYOCOMRTDM-ZWKOTPCHSA-N 2 0 358.530 3.161 20 0 FGADRP CCN(C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475180269 502092934 /nfs/dbraw/zinc/09/29/34/502092934.db2.gz XTDZAVKFHDEGFX-QHAWAJNXSA-N 2 0 372.557 3.165 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cc(F)c(Cl)cc1F ZINC000486269941 502106231 /nfs/dbraw/zinc/10/62/31/502106231.db2.gz KQQSPHWUZHLXFQ-ZDUSSCGKSA-N 2 0 373.875 3.106 20 0 FGADRP CC1CC[NH+](CC(=O)NC[C@H]2CCCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000461472133 502127996 /nfs/dbraw/zinc/12/79/96/502127996.db2.gz KQQFZFHVXROXBI-OAQYLSRUSA-N 2 0 357.542 3.137 20 0 FGADRP CC[NH+](CC)[C@H](C)CNC(=O)NC[C@@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC000471773450 502133573 /nfs/dbraw/zinc/13/35/73/502133573.db2.gz RGSAQAHFTZCHPH-QUCCMNQESA-N 2 0 360.546 3.161 20 0 FGADRP CCCN(CCC[NH+](C)C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000468664662 502140164 /nfs/dbraw/zinc/14/01/64/502140164.db2.gz BQKPIRQMVMDBJX-PZJWPPBQSA-N 2 0 374.573 3.270 20 0 FGADRP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2C[NH2+][C@H]2CCN(C3CC3)C2=O)C1 ZINC000482680720 502150110 /nfs/dbraw/zinc/15/01/10/502150110.db2.gz ZXPWKSVFZDZZHL-LZJOCLMNSA-N 2 0 355.526 3.017 20 0 FGADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC000464947089 502153431 /nfs/dbraw/zinc/15/34/31/502153431.db2.gz DJTJYWHTEFBPER-RTBURBONSA-N 2 0 366.594 3.164 20 0 FGADRP C[C@@H]([NH2+][C@H]1CCCc2nn(C)cc21)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000479072152 502154950 /nfs/dbraw/zinc/15/49/50/502154950.db2.gz SRMUJYYFHLRJKT-BEFAXECRSA-N 2 0 371.504 3.039 20 0 FGADRP C[C@H](CCNC(=O)c1ccccc1C[NH+](C)C)[N@H+](C)Cc1ccccc1 ZINC000486516480 502178214 /nfs/dbraw/zinc/17/82/14/502178214.db2.gz JOHKLKFBURYVDL-GOSISDBHSA-N 2 0 353.510 3.389 20 0 FGADRP [NH3+]C[C@@H](C(=O)Nc1cccc(C[NH+]2CCSCC2)c1)c1ccc(F)cc1 ZINC000479182932 502184948 /nfs/dbraw/zinc/18/49/48/502184948.db2.gz FEWGPQFZCOEKLL-LJQANCHMSA-N 2 0 373.497 3.056 20 0 FGADRP [NH3+]C[C@H](C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1)c1ccc(F)cc1 ZINC000479227242 502198903 /nfs/dbraw/zinc/19/89/03/502198903.db2.gz SZALSALCEHLMRZ-SFTDATJTSA-N 2 0 369.484 3.039 20 0 FGADRP C[C@H](CNC(=O)NC(C)(C)CC[NH+]1CCCCCC1)C[NH+]1CCCC1 ZINC000482859702 502199207 /nfs/dbraw/zinc/19/92/07/502199207.db2.gz SQVUCHUTKKSUCK-GOSISDBHSA-N 2 0 352.567 3.062 20 0 FGADRP CCCC[N@H+](C)C[C@H](C)NC(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000461795070 502203496 /nfs/dbraw/zinc/20/34/96/502203496.db2.gz KQKMWYRHKJHPON-IBGZPJMESA-N 2 0 366.594 3.404 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccc(OC)c(C2CC2)c1 ZINC000468883336 502217125 /nfs/dbraw/zinc/21/71/25/502217125.db2.gz HRZSSELCPTVCGC-LJQANCHMSA-N 2 0 373.541 3.061 20 0 FGADRP CCN(CCC[NH+](CC)CC)C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000472082570 502224590 /nfs/dbraw/zinc/22/45/90/502224590.db2.gz INLGBYFUWWXJQU-LJQANCHMSA-N 2 0 352.567 3.014 20 0 FGADRP CC[C@H](C)[NH2+][C@H](CNC(=O)NC[C@@H](C)[N@@H+]1CCC[C@@H](C)C1)c1ccco1 ZINC000479353434 502233234 /nfs/dbraw/zinc/23/32/34/502233234.db2.gz TZTVYCXLMVHTGC-XMTFNYHQSA-N 2 0 364.534 3.128 20 0 FGADRP O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC000482981757 502236028 /nfs/dbraw/zinc/23/60/28/502236028.db2.gz PVKQYPWKXNDLPI-PMACEKPBSA-N 2 0 355.526 3.032 20 0 FGADRP Cc1ccc(-c2ncc(C[NH2+]C(C)(C)CCN3CC[NH+](C)CC3)s2)o1 ZINC000472123612 502240725 /nfs/dbraw/zinc/24/07/25/502240725.db2.gz FBODESWRZJMYQU-UHFFFAOYSA-N 2 0 362.543 3.217 20 0 FGADRP CCCN(CC[NH+](CC)CC)C(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000461936883 502244064 /nfs/dbraw/zinc/24/40/64/502244064.db2.gz ONFLWYKSLUVRIX-RBUKOAKNSA-N 2 0 366.594 3.403 20 0 FGADRP CCN1CC[NH+](C[C@H](C)CNc2cc[nH+]c3cc(F)c(OC)cc23)CC1 ZINC000479389689 502244066 /nfs/dbraw/zinc/24/40/66/502244066.db2.gz DYBQFKDSMVAJAU-OAHLLOKOSA-N 2 0 360.477 3.068 20 0 FGADRP CCCN(CC[NH+](CC)CC)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000461946414 502247456 /nfs/dbraw/zinc/24/74/56/502247456.db2.gz GSGLERPFHKTQBF-WOJBJXKFSA-N 2 0 360.546 3.195 20 0 FGADRP CC[NH+]1CCN(c2ccc(C[NH2+][C@H](C)c3sccc3OC)cn2)CC1 ZINC000472160089 502252666 /nfs/dbraw/zinc/25/26/66/502252666.db2.gz UFZOQTYCFBKPKD-OAHLLOKOSA-N 2 0 360.527 3.144 20 0 FGADRP O=C(NC[C@H]1CCC[N@@H+]1Cc1ccccc1)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC000483147793 502290614 /nfs/dbraw/zinc/29/06/14/502290614.db2.gz CMCVUEGDBJTRQL-RBBKRZOGSA-N 2 0 369.553 3.422 20 0 FGADRP CC(C)[C@H](CNC(=O)N(C)CC[C@H]1CCCC[N@@H+]1C)[NH+]1CCC(C)CC1 ZINC000465530139 502291905 /nfs/dbraw/zinc/29/19/05/502291905.db2.gz NBOOMRGRESOYFQ-UXHICEINSA-N 2 0 366.594 3.259 20 0 FGADRP C[C@H]1C[N@H+](CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)C(C)(C)C1 ZINC000472277896 502295832 /nfs/dbraw/zinc/29/58/32/502295832.db2.gz OCHWLOPBGUQVMP-MRXNPFEDSA-N 2 0 361.555 3.294 20 0 FGADRP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@@H](C)[NH+](CC)CC ZINC000465536489 502296995 /nfs/dbraw/zinc/29/69/95/502296995.db2.gz DXUWZAHMDCKHQA-TZIWHRDSSA-N 2 0 374.573 3.270 20 0 FGADRP C[NH+](C)[C@@H](CNC(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1)C1CCCCC1 ZINC000465540488 502298022 /nfs/dbraw/zinc/29/80/22/502298022.db2.gz LFKBTUYVGODXJK-PMACEKPBSA-N 2 0 364.578 3.061 20 0 FGADRP C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N[C@@H]2CC[NH+](C)[C@H](C)C2)C1 ZINC000465554249 502304934 /nfs/dbraw/zinc/30/49/34/502304934.db2.gz GIKPCPONOGSJCC-DBXWQHBBSA-N 2 0 372.557 3.200 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N[C@@H]1CC[NH+](CC2CCCC2)C1 ZINC000465608037 502323918 /nfs/dbraw/zinc/32/39/18/502323918.db2.gz UCPZVZBCQWIVLZ-UYAOXDASSA-N 2 0 364.578 3.205 20 0 FGADRP C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000479690392 502345185 /nfs/dbraw/zinc/34/51/85/502345185.db2.gz NURPSWORCOPWDK-WCIQWLHISA-N 2 0 364.578 3.013 20 0 FGADRP CCC[N@H+](C)CC(=O)N[C@H](c1ccc(F)c(F)c1)C(C)(C)[NH+]1CCCC1 ZINC000487085529 502353127 /nfs/dbraw/zinc/35/31/27/502353127.db2.gz LUIXOAWTXAVPJR-LJQANCHMSA-N 2 0 367.484 3.338 20 0 FGADRP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC000465762894 502375307 /nfs/dbraw/zinc/37/53/07/502375307.db2.gz RWEPZYZTFLYKOB-SCIMBWJRSA-N 2 0 364.578 3.057 20 0 FGADRP CC(C)c1cc(NC[C@H](C)[N@@H+]2CCc3sccc3C2)nc(N(C)C)[nH+]1 ZINC000462372310 502412152 /nfs/dbraw/zinc/41/21/52/502412152.db2.gz XMWRYYFOKKSWRJ-AWEZNQCLSA-N 2 0 359.543 3.008 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@H](C)Oc2cccc(F)c2)[C@@H](C)C1 ZINC000483538063 502424823 /nfs/dbraw/zinc/42/48/23/502424823.db2.gz LHOJOVFUJMJGCQ-QKLQHJQFSA-N 2 0 352.494 3.320 20 0 FGADRP CCCC[N@H+](C)CCNC(=O)N1CC[C@@H](C)[NH+](Cc2ccccc2)CC1 ZINC000465914687 502425619 /nfs/dbraw/zinc/42/56/19/502425619.db2.gz CCUIMAIVQKCEDJ-LJQANCHMSA-N 2 0 360.546 3.024 20 0 FGADRP CC1CC[NH+](Cc2cccc(CNC(=O)N[C@H]3CC[N@H+](C)[C@H](C)C3)c2)CC1 ZINC000465929283 502430691 /nfs/dbraw/zinc/43/06/91/502430691.db2.gz DUZMLTSHIIKTIV-NQIIRXRSSA-N 2 0 372.557 3.200 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](C)C1CCCCC1 ZINC000466005171 502451738 /nfs/dbraw/zinc/45/17/38/502451738.db2.gz UILKRCCCKYBVAU-HKUYNNGSSA-N 2 0 352.567 3.013 20 0 FGADRP CCc1nc(C)c([C@@H](C)[NH2+]CCN2CC[NH+](Cc3ccccc3)CC2)s1 ZINC000480035995 502453625 /nfs/dbraw/zinc/45/36/25/502453625.db2.gz GQZXKVGDWZOZBA-QGZVFWFLSA-N 2 0 372.582 3.482 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@H](c2cccs2)N(C)C)[C@H](C)C1 ZINC000480080305 502467114 /nfs/dbraw/zinc/46/71/14/502467114.db2.gz BATCTUAGZLKHLL-FGTMMUONSA-N 2 0 353.576 3.077 20 0 FGADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(Nc3cc[nH+]cc3)cc2)C[C@@H]1C ZINC000469682632 502500034 /nfs/dbraw/zinc/50/00/34/502500034.db2.gz JCEOWAMEKAMSCW-OXJNMPFZSA-N 2 0 352.482 3.192 20 0 FGADRP CCC[N@H+](CC)CCNC(=O)N1CC[C@@H](C)[NH+](Cc2ccccc2)CC1 ZINC000473183803 502538933 /nfs/dbraw/zinc/53/89/33/502538933.db2.gz CAILLLNGQOZJGW-LJQANCHMSA-N 2 0 360.546 3.024 20 0 FGADRP C[C@@H]1C[C@@H]1[N@@H+]1CCN(C(=O)NCCCC[NH+]2CCCC[C@@H]2C)C[C@@H](C)C1 ZINC000487822827 502539941 /nfs/dbraw/zinc/53/99/41/502539941.db2.gz QGQATSULXOCEFY-YRPNKDGESA-N 2 0 364.578 3.013 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCc2cnn(-c3ccccc3)c2)[C@@H](C)C1 ZINC000480330520 502540569 /nfs/dbraw/zinc/54/05/69/502540569.db2.gz RKCCSVBHQQGBOR-UGKGYDQZSA-N 2 0 370.541 3.141 20 0 FGADRP CC(C)(C)NC(=O)C[NH+]1CCC(C[NH2+]Cc2ccsc2Cl)CC1 ZINC000480391135 502555299 /nfs/dbraw/zinc/55/52/99/502555299.db2.gz UXPGVPZZRLGYKZ-UHFFFAOYSA-N 2 0 357.951 3.118 20 0 FGADRP C[C@@H]1CC[N@H+](C)CCN1C(=O)NC[C@H]1CCCC[NH+](Cc2ccccc2)C1 ZINC000462749072 502557211 /nfs/dbraw/zinc/55/72/11/502557211.db2.gz GWKGLJIZUAQGBK-TZIWHRDSSA-N 2 0 372.557 3.024 20 0 FGADRP C[C@H]1CC[N@H+](C)CCN1C(=O)NC[C@@H]1CCCC[NH+](Cc2ccccc2)C1 ZINC000462749070 502557243 /nfs/dbraw/zinc/55/72/43/502557243.db2.gz GWKGLJIZUAQGBK-FPOVZHCZSA-N 2 0 372.557 3.024 20 0 FGADRP C[C@@H]1C[C@H]([NH2+]CC2(O)CC[NH+](C)CC2)c2cccc(Br)c21 ZINC000484142223 502581662 /nfs/dbraw/zinc/58/16/62/502581662.db2.gz IDXDBCALFKHJKA-DOMZBBRYSA-N 2 0 353.304 3.044 20 0 FGADRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CC[NH+](C3CCC3)C[C@@H](C)C2)C1 ZINC000487965478 502582885 /nfs/dbraw/zinc/58/28/85/502582885.db2.gz TWJFUHGIZCYYSZ-QZTJIDSGSA-N 2 0 364.578 3.013 20 0 FGADRP C[C@@H](NC(=O)NCc1cccc(C[NH+](C)C)c1)[C@@H](c1ccccc1)[NH+](C)C ZINC000480572079 502607424 /nfs/dbraw/zinc/60/74/24/502607424.db2.gz RIQKQXXRZXJMGQ-UTKZUKDTSA-N 2 0 368.525 3.239 20 0 FGADRP Cc1nc([C@H](C)[NH2+]CCCN2CC[N@H+](C)C[C@@H]2c2ccccc2)cs1 ZINC000462885927 502614189 /nfs/dbraw/zinc/61/41/89/502614189.db2.gz WMYPLEPCJCTOLU-OXJNMPFZSA-N 2 0 358.555 3.481 20 0 FGADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)c1ccc(-n2cnnn2)cc1 ZINC000484307489 502620361 /nfs/dbraw/zinc/62/03/61/502620361.db2.gz LAFKBWHBDXWOAU-KPFFTGBYSA-N 2 0 356.518 3.214 20 0 FGADRP CC[NH+](CC)Cc1ccc(CNC(=O)N2CC[C@@H]([NH+]3CCCC3)[C@@H]2C)cc1 ZINC000476925404 502623654 /nfs/dbraw/zinc/62/36/54/502623654.db2.gz HPCFCISKPSUURC-GHTZIAJQSA-N 2 0 372.557 3.297 20 0 FGADRP Cc1ccc(C)c(OC[C@H](O)C[NH+]2CCC(C[NH+]3CCCC3)CC2)c1C ZINC000488319527 502683497 /nfs/dbraw/zinc/68/34/97/502683497.db2.gz CBCHYNJIKGBGLE-OAQYLSRUSA-N 2 0 360.542 3.159 20 0 FGADRP CC/C=C\CC[NH+]1CCC(C(=O)NCC[N@H+](C)Cc2ccccc2)CC1 ZINC000466802985 502685631 /nfs/dbraw/zinc/68/56/31/502685631.db2.gz RNPFQHFYWLKNMT-PLNGDYQASA-N 2 0 357.542 3.303 20 0 FGADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC000484639090 502692455 /nfs/dbraw/zinc/69/24/55/502692455.db2.gz CPPHQOULIRDXIS-ZZPLLCAGSA-N 2 0 370.541 3.089 20 0 FGADRP CC[NH+](CC)CC1CC[NH+]([C@H](C)C(=O)NCc2ccc(Cl)cc2)CC1 ZINC000488394198 502702515 /nfs/dbraw/zinc/70/25/15/502702515.db2.gz UUTBGUZJNBFIIP-MRXNPFEDSA-N 2 0 365.949 3.399 20 0 FGADRP CC(C)C[C@H](CNC(=O)N1CC[C@@H](C[NH+](C)C)C1)[NH2+][C@H](C)c1ccccc1 ZINC000484709035 502715418 /nfs/dbraw/zinc/71/54/18/502715418.db2.gz LWHUOSWGHVVBRE-SVFBPWRDSA-N 2 0 374.573 3.345 20 0 FGADRP C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)c2ccc3c(c2)C[NH2+]C3)C1 ZINC000470372091 502754141 /nfs/dbraw/zinc/75/41/41/502754141.db2.gz JMDSAEPZVMMFDZ-QGZVFWFLSA-N 2 0 363.505 3.452 20 0 FGADRP C[C@H](N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)C(=O)NCc1ccccc1 ZINC000481199156 502780933 /nfs/dbraw/zinc/78/09/33/502780933.db2.gz OUFSSQDTYOMUNA-CNNODRBYSA-N 2 0 365.521 3.192 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)NCC[NH+]1CC=CCC1 ZINC000474031876 502784332 /nfs/dbraw/zinc/78/43/32/502784332.db2.gz ORCGPRXTGUBFGQ-LJQANCHMSA-N 2 0 370.541 3.122 20 0 FGADRP CCN(C(=O)N[C@@H]1CC[NH+](C)[C@H](C)C1)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000474042576 502787476 /nfs/dbraw/zinc/78/74/76/502787476.db2.gz YBCZEQNHICYGCZ-VURPSTOHSA-N 2 0 372.557 3.336 20 0 FGADRP CC(C)[NH+](CCCNC(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1)C(C)C ZINC000470480699 502790246 /nfs/dbraw/zinc/79/02/46/502790246.db2.gz XOXWAPVSWCMORT-NRFANRHFSA-N 2 0 374.573 3.459 20 0 FGADRP CC[N@H+](Cc1ccccc1)[C@H](C)C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000485044565 502808865 /nfs/dbraw/zinc/80/88/65/502808865.db2.gz VVKODCBJHZQRFY-KNQAVFIVSA-N 2 0 365.521 3.288 20 0 FGADRP C[C@@H]1CCC[C@@](CNC(=O)N2CCC(CCC[NH+](C)C)CC2)([NH+](C)C)C1 ZINC000500717581 502846565 /nfs/dbraw/zinc/84/65/65/502846565.db2.gz VAWYQRDCUPCQSK-WIYYLYMNSA-N 2 0 366.594 3.260 20 0 FGADRP CC[NH+](CC)CC1CC[NH+](CCCN2CCN(c3ccccc3)CC2)CC1 ZINC000509280028 502866553 /nfs/dbraw/zinc/86/65/53/502866553.db2.gz UOYGZIGBEPVUCO-UHFFFAOYSA-N 2 0 372.601 3.253 20 0 FGADRP CC(C)[NH+](CCCNC(=O)N1CC[N@@H+](C2CCC2)C[C@H](C)C1)C(C)C ZINC000489241866 502909041 /nfs/dbraw/zinc/90/90/41/502909041.db2.gz XTORMUXWWFAENY-SFHVURJKSA-N 2 0 352.567 3.011 20 0 FGADRP C[N@@H+](CC(=O)NCCC1CCCCC1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501040919 502919624 /nfs/dbraw/zinc/91/96/24/502919624.db2.gz UHXYRGDFGMFZDG-UHFFFAOYSA-N 2 0 372.557 3.316 20 0 FGADRP C[N@H+](CCC(=O)Nc1ccc(F)cc1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501051236 502923043 /nfs/dbraw/zinc/92/30/43/502923043.db2.gz YHGNXUBOYXBEAL-UHFFFAOYSA-N 2 0 370.472 3.398 20 0 FGADRP CCC[NH+]1CCN(c2ccccc2C[N@@H+]2CCc3ccc(O)cc3C2)CC1 ZINC000509518289 502924760 /nfs/dbraw/zinc/92/47/60/502924760.db2.gz FUNDYVCZZKQONH-UHFFFAOYSA-N 2 0 365.521 3.483 20 0 FGADRP CC(C)C[C@@H](C)N(C)C(=O)C[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501065975 502926008 /nfs/dbraw/zinc/92/60/08/502926008.db2.gz BJZAICHWTDAZDF-GOSISDBHSA-N 2 0 360.546 3.123 20 0 FGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]C[C@@H]2CCO[C@H]2c2ccccc2)[C@H](C)C1 ZINC000497387554 502945172 /nfs/dbraw/zinc/94/51/72/502945172.db2.gz KNSFOGLUZZYYDY-ZDFPQIBNSA-N 2 0 360.542 3.491 20 0 FGADRP C[C@H]1C[C@@H](CC[NH2+]Cc2cc(C(N)=O)cs2)C[N@@H+]1Cc1ccccc1 ZINC000513500016 502952946 /nfs/dbraw/zinc/95/29/46/502952946.db2.gz KKIBCKSVZKVCOA-DOTOQJQBSA-N 2 0 357.523 3.237 20 0 FGADRP Cc1ncc(C[N@@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)s1 ZINC000501209494 502958928 /nfs/dbraw/zinc/95/89/28/502958928.db2.gz MTIVTGRPDPCWKE-UHFFFAOYSA-N 2 0 350.576 3.080 20 0 FGADRP C[C@H]([NH2+]C(C)(C)CNC(=O)N1CC[C@@H]([NH+]2CCCC2)[C@@H]1C)c1ccccc1 ZINC000497457160 502963987 /nfs/dbraw/zinc/96/39/87/502963987.db2.gz CVRGFINDYOLQNT-CMKODMSKSA-N 2 0 372.557 3.384 20 0 FGADRP COc1cc(Br)c(C[NH2+]C2CCC([NH+](C)C)CC2)cc1OC ZINC000513662169 502994150 /nfs/dbraw/zinc/99/41/50/502994150.db2.gz SZLIHGPRCKHASX-UHFFFAOYSA-N 2 0 371.319 3.429 20 0 FGADRP C[NH+](C)[C@@H](CNC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)C1CCCCC1 ZINC000501383870 502997741 /nfs/dbraw/zinc/99/77/41/502997741.db2.gz AOUAJAXSVQRTQO-RTWAWAEBSA-N 2 0 372.557 3.071 20 0 FGADRP CC(C)C(=O)NCC[NH2+][C@@H]1CCCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000513679234 502999197 /nfs/dbraw/zinc/99/91/97/502999197.db2.gz VRTYUPDKLSKVJK-PWRODBHTSA-N 2 0 357.542 3.039 20 0 FGADRP CCC[N@@H+]1CCC[C@H]1CNC(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000497635169 503004913 /nfs/dbraw/zinc/00/49/13/503004913.db2.gz XPGSPDQFFUWMAC-NQIIRXRSSA-N 2 0 372.557 3.386 20 0 FGADRP CN(c1ccccc1CN1CC[C@@H]([NH+]2CCCCC2)C1)C1CC[NH+](C)CC1 ZINC000513733483 503011610 /nfs/dbraw/zinc/01/16/10/503011610.db2.gz RUMUFLAHWWVLBE-JOCHJYFZSA-N 2 0 370.585 3.277 20 0 FGADRP CCc1ccc([C@H](CNC(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)[NH+](C)C)cc1 ZINC000489774577 503031002 /nfs/dbraw/zinc/03/10/02/503031002.db2.gz IZAIAPSLDOLFRY-AABGKKOBSA-N 2 0 360.546 3.024 20 0 FGADRP C[C@H](CNC(=O)N1CCC[N@H+](Cc2ccccc2)CC1)[NH+]1CCCC[C@H]1C ZINC000501545441 503034135 /nfs/dbraw/zinc/03/41/35/503034135.db2.gz IJSRQQBIDRMDOB-WOJBJXKFSA-N 2 0 372.557 3.167 20 0 FGADRP CN(C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000489794127 503036243 /nfs/dbraw/zinc/03/62/43/503036243.db2.gz SHIYNOGLIPLBBS-PWRODBHTSA-N 2 0 372.557 3.165 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000489810466 503041140 /nfs/dbraw/zinc/04/11/40/503041140.db2.gz XCVAUIKKKBPMIT-PBASOCQRSA-N 2 0 372.557 3.069 20 0 FGADRP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000513891554 503042798 /nfs/dbraw/zinc/04/27/98/503042798.db2.gz ITOIZZQYKRYKHR-SFHLNBCPSA-N 2 0 372.557 3.243 20 0 FGADRP CO[C@H](C[NH+]1CCC(CC[NH+]2CCOCC2)CC1)c1ccc(Cl)cc1 ZINC000513897413 503044112 /nfs/dbraw/zinc/04/41/12/503044112.db2.gz QIUIASDCERFMGT-HXUWFJFHSA-N 2 0 366.933 3.462 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)c1cccc(C[NH+](C)C)c1 ZINC000501619030 503050735 /nfs/dbraw/zinc/05/07/35/503050735.db2.gz PBGGMSZJRLAMBV-RBUKOAKNSA-N 2 0 365.521 3.483 20 0 FGADRP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N1CC[NH+](C2CCC2)C[C@H](C)C1 ZINC000489886887 503057091 /nfs/dbraw/zinc/05/70/91/503057091.db2.gz PMDSXTSIPVGDRV-RBUKOAKNSA-N 2 0 372.557 3.023 20 0 FGADRP [NH3+]CC[C@@H]1CCCCN1Cc1csc(CC(=O)Nc2ccccc2)n1 ZINC000489910794 503062846 /nfs/dbraw/zinc/06/28/46/503062846.db2.gz YHEOQPDAQHFYQS-KRWDZBQOSA-N 2 0 358.511 3.028 20 0 FGADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)NCCC[NH+]2CCC(C)CC2)C1 ZINC000514028088 503072141 /nfs/dbraw/zinc/07/21/41/503072141.db2.gz ZOMSCIGTMKNWOR-CTNGQTDRSA-N 2 0 372.557 3.243 20 0 FGADRP CC(C)C[NH+]1CCC(NC(=O)NCC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000514053609 503076477 /nfs/dbraw/zinc/07/64/77/503076477.db2.gz XMQZDKYNGQXBGV-HDICACEKSA-N 2 0 366.594 3.163 20 0 FGADRP C[C@H]([NH2+]CCCN1CCc2ccccc2C1)c1ccc2c(c1)OCC(=O)N2 ZINC000514084042 503083388 /nfs/dbraw/zinc/08/33/88/503083388.db2.gz OCHPITSNISMNIE-INIZCTEOSA-N 2 0 365.477 3.117 20 0 FGADRP C[C@@H]([NH2+]CCCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1ccc2c(c1)OCC(=O)N2 ZINC000514094973 503086269 /nfs/dbraw/zinc/08/62/69/503086269.db2.gz PCFODLZTABFOAW-BRWVUGGUSA-N 2 0 359.514 3.426 20 0 FGADRP CC[C@@H](CNC(=O)[C@@H](C)[NH+]1CCCCCC1)[N@@H+]1CCc2ccccc2C1 ZINC000510306292 503088910 /nfs/dbraw/zinc/08/89/10/503088910.db2.gz JHNXJHIXGSGQGG-NQIIRXRSSA-N 2 0 357.542 3.204 20 0 FGADRP C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)NCC[N@H+](C)C2CCCCC2)C1 ZINC000514130177 503095279 /nfs/dbraw/zinc/09/52/79/503095279.db2.gz HMDMCYRGVBCNOJ-OALUTQOASA-N 2 0 366.594 3.308 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N1CCCC12CC[NH+](C)CC2)c1ccccc1 ZINC000510383357 503103324 /nfs/dbraw/zinc/10/33/24/503103324.db2.gz WSEAMVIZWQXJTK-HXUWFJFHSA-N 2 0 372.557 3.339 20 0 FGADRP c1ccc(C[NH+]2CCN(CCC[NH2+][C@@H]3CCCC34CCOCC4)CC2)cc1 ZINC000502250890 503169301 /nfs/dbraw/zinc/16/93/01/503169301.db2.gz QHRMQTNKJHDRBY-JOCHJYFZSA-N 2 0 371.569 3.133 20 0 FGADRP CCC[N@H+](CC)C[C@H](C)NC(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000514764118 503186546 /nfs/dbraw/zinc/18/65/46/503186546.db2.gz ZKHDNOWHWMKTDD-IRXDYDNUSA-N 2 0 366.575 3.305 20 0 FGADRP C[C@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)c1cnn(C2CCCC2)c1 ZINC000502473318 503205703 /nfs/dbraw/zinc/20/57/03/503205703.db2.gz BRJMKHZBFLEYRY-INIZCTEOSA-N 2 0 357.502 3.184 20 0 FGADRP CN(C)CC[NH+]1CCC(C[NH2+]Cc2ccc(Sc3ccccn3)o2)CC1 ZINC000510872370 503207489 /nfs/dbraw/zinc/20/74/89/503207489.db2.gz MGXILBUUZYUBMP-UHFFFAOYSA-N 2 0 374.554 3.189 20 0 FGADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@H]1C[C@H]1c1ccccc1Cl ZINC000502574235 503229706 /nfs/dbraw/zinc/22/97/06/503229706.db2.gz YXSWETZYDPKOKP-ROUUACIJSA-N 2 0 365.949 3.176 20 0 FGADRP C[NH+]1CCN(c2ncccc2C[NH2+]Cc2ccc3c(c2)CCCC3)CC1 ZINC000490804682 503230095 /nfs/dbraw/zinc/23/00/95/503230095.db2.gz RVTNHEKALQQZFG-UHFFFAOYSA-N 2 0 350.510 3.002 20 0 FGADRP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)NCC[N@H+](C)C3CC3)cc2)C1 ZINC000490863604 503238130 /nfs/dbraw/zinc/23/81/30/503238130.db2.gz UMZKEDZFRXCVRW-QZTJIDSGSA-N 2 0 372.557 3.058 20 0 FGADRP O[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]CCc2ccc(F)cc2Cl)CC1 ZINC000514976461 503240280 /nfs/dbraw/zinc/24/02/80/503240280.db2.gz BRXRQRMNUNXIMW-MOPGFXCFSA-N 2 0 354.897 3.379 20 0 FGADRP C[C@@H]1C[C@H](NC(=O)Nc2ccc3c(c2)C[NH2+]CC3)C[N@@H+]1Cc1ccccc1 ZINC000515046391 503258551 /nfs/dbraw/zinc/25/85/51/503258551.db2.gz PRYLMXQSJXWULP-IERDGZPVSA-N 2 0 364.493 3.117 20 0 FGADRP CC(C)C[NH+]1CCC(NC(=O)NCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000502829733 503282440 /nfs/dbraw/zinc/28/24/40/503282440.db2.gz RJOJBZBEPWZWFD-KDURUIRLSA-N 2 0 366.594 3.164 20 0 FGADRP C[NH+](C)Cc1ccc(C[NH2+]C[C@H](O)Cc2cccc(Cl)c2)cc1F ZINC000515165790 503282805 /nfs/dbraw/zinc/28/28/05/503282805.db2.gz HDMWGVUCOPBSLS-GOSISDBHSA-N 2 0 350.865 3.234 20 0 FGADRP CC(C)[NH+](CCN(C)C(=O)NC[C@H](c1cccs1)[NH+](C)C)C(C)C ZINC000502843553 503287253 /nfs/dbraw/zinc/28/72/53/503287253.db2.gz VHZBNGYDYWTCNE-MRXNPFEDSA-N 2 0 354.564 3.111 20 0 FGADRP CC[N@@H+]1CCC[C@@H](CNC(=O)NCC(C)(C)[NH2+][C@H](C)c2ccccc2)C1 ZINC000507415084 503296002 /nfs/dbraw/zinc/29/60/02/503296002.db2.gz SMSPNYCBJGGRBG-MSOLQXFVSA-N 2 0 360.546 3.147 20 0 FGADRP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(C[NH2+][C@@H]3CCCC[C@H]3C3CC3)c2)C1 ZINC000507521984 503314854 /nfs/dbraw/zinc/31/48/54/503314854.db2.gz CKORTKHGYSMHGI-BHIFYINESA-N 2 0 369.553 3.442 20 0 FGADRP O=C(CC1CCCC1)NCC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000499160188 503346408 /nfs/dbraw/zinc/34/64/08/503346408.db2.gz IBPVZYOGMUGPFG-DKUWSORSSA-N 2 0 369.553 3.468 20 0 FGADRP C[C@H](NC(=O)NCC(C)(C)C[NH+]1CCCC1)[C@@H](c1ccccc1)[NH+](C)C ZINC000503110762 503349213 /nfs/dbraw/zinc/34/92/13/503349213.db2.gz MMTPOIZMRRHMFN-HKUYNNGSSA-N 2 0 360.546 3.099 20 0 FGADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000511677203 503367841 /nfs/dbraw/zinc/36/78/41/503367841.db2.gz HWARWAYOFKBGHD-UWJYYQICSA-N 2 0 351.494 3.314 20 0 FGADRP CC(C)[C@H](C(=O)Nc1ccc(NC(=O)CC[NH+]2CCCCC2)cc1)[C@H](C)[NH3+] ZINC000515654027 503380577 /nfs/dbraw/zinc/38/05/77/503380577.db2.gz AYBBWKJNJVIXEG-JXFKEZNVSA-N 2 0 374.529 3.059 20 0 FGADRP CC[C@H](C)[NH2+][C@H](CNC(=O)NC[C@@H]1[N@H+](C)CCCC1(C)C)c1ccco1 ZINC000503390457 503399700 /nfs/dbraw/zinc/39/97/00/503399700.db2.gz LTOJHBJAWWLAGC-JZXOWHBKSA-N 2 0 364.534 3.128 20 0 FGADRP Cc1ccccc1-c1cnc(C[NH+]2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)o1 ZINC000515851876 503412137 /nfs/dbraw/zinc/41/21/37/503412137.db2.gz KIXIPCGHMGUFEI-NQIIRXRSSA-N 2 0 355.482 3.368 20 0 FGADRP C[NH+]1CCC(C)(CNC(=O)NCC2([NH+]3CCCCC3)CCCCC2)CC1 ZINC000508030075 503415590 /nfs/dbraw/zinc/41/55/90/503415590.db2.gz CFKQHKDXLKUIGW-UHFFFAOYSA-N 2 0 364.578 3.206 20 0 FGADRP CCC[N@@H+]1CCC[C@H]1CNC(=O)N1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000511921441 503416519 /nfs/dbraw/zinc/41/65/19/503416519.db2.gz GUNXHDDRHJONMW-ZCNNSNEGSA-N 2 0 364.578 3.157 20 0 FGADRP CC1CC[NH+](C[C@@H]2CCCN(C(=O)NCC3([NH+](C)C)CCCC3)C2)CC1 ZINC000503483693 503419207 /nfs/dbraw/zinc/41/92/07/503419207.db2.gz CGKFIHDOJUSVRL-IBGZPJMESA-N 2 0 364.578 3.014 20 0 FGADRP C[NH+]1CCC(C[NH2+]Cc2cnn(-c3ccc(C(F)(F)F)cc3)c2)CC1 ZINC000511997048 503431909 /nfs/dbraw/zinc/43/19/09/503431909.db2.gz OBMJDUBFTSGRDS-UHFFFAOYSA-N 2 0 352.404 3.323 20 0 FGADRP CC1CC[NH+]([C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2C2CC2)c2cccs2)CC1 ZINC000493676762 503439570 /nfs/dbraw/zinc/43/95/70/503439570.db2.gz IZIXYUZHTPXUCP-ROUUACIJSA-N 2 0 361.555 3.264 20 0 FGADRP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2ccccc2N(C)C2CC[NH+](C)CC2)C1 ZINC000508144040 503440383 /nfs/dbraw/zinc/44/03/83/503440383.db2.gz VCUTWJPJCUZTOR-LJQANCHMSA-N 3 0 358.574 3.039 20 0 FGADRP O[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]C/C=C\c2ccc(F)c(F)c2)CC1 ZINC000512050925 503444073 /nfs/dbraw/zinc/44/40/73/503444073.db2.gz FHVLDCVZMSHGLT-FPMVPNIMSA-N 2 0 350.453 3.336 20 0 FGADRP C[NH+](C)CCOc1ccc(CC[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCCC3)cc1 ZINC000493851877 503449988 /nfs/dbraw/zinc/44/99/88/503449988.db2.gz XKYIRLZBWDNZIR-NJDAHSKKSA-N 2 0 358.526 3.107 20 0 FGADRP CC[NH+]1CCN(c2ccc(C[NH2+][C@H](C)[C@H](OC)c3ccccc3)cn2)CC1 ZINC000493938445 503462100 /nfs/dbraw/zinc/46/21/00/503462100.db2.gz YSCSAZKLDXVWTH-GCJKJVERSA-N 2 0 368.525 3.089 20 0 FGADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)N1CCC(C[NH+](C)C)CC1)c1ccccc1 ZINC000503739811 503467820 /nfs/dbraw/zinc/46/78/20/503467820.db2.gz TXZYBVXRFRHHLI-QGZVFWFLSA-N 2 0 360.546 3.099 20 0 FGADRP CC[NH+](CC)CC1CCN(C(=O)N[C@H](C)C[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000516245642 503480169 /nfs/dbraw/zinc/48/01/69/503480169.db2.gz RTYHZDJRDRBUSJ-GBESFXJTSA-N 2 0 366.594 3.116 20 0 FGADRP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2C[C@@H](C)CC[C@@H]2c2ccccc2)CC1 ZINC000512195456 503483342 /nfs/dbraw/zinc/48/33/42/503483342.db2.gz NUGBASLNCYJXIR-GHTZIAJQSA-N 2 0 357.542 3.449 20 0 FGADRP O=C(CC[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1)Nc1cccnc1 ZINC000512257836 503500713 /nfs/dbraw/zinc/50/07/13/503500713.db2.gz DHUSVQUWDXJMIG-QFIPXVFZSA-N 2 0 364.493 3.008 20 0 FGADRP C[C@H]1CCN(C(=O)CC[C@H]2CCCC[NH+]2C)CC[N@@H+]1Cc1ccccc1 ZINC000499887295 503502938 /nfs/dbraw/zinc/50/29/38/503502938.db2.gz LFIYLLMHEZDQIM-PZJWPPBQSA-N 2 0 357.542 3.374 20 0 FGADRP CC[NH+](CC)Cc1cccc(CNC(=O)NCC[N@@H+]2CCCC[C@@H]2C)c1 ZINC000500130021 503561610 /nfs/dbraw/zinc/56/16/10/503561610.db2.gz BYYNJPLLCDFRSM-SFHVURJKSA-N 2 0 360.546 3.202 20 0 FGADRP Cc1ccc(CC[NH+]2CCN([C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000512474956 503564991 /nfs/dbraw/zinc/56/49/91/503564991.db2.gz OPLXEDAYDLRCJN-DEOSSOPVSA-N 2 0 363.549 3.430 20 0 FGADRP O=C(NC1CC[NH+](C2CCCC2)CC1)[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000611980833 506380216 /nfs/dbraw/zinc/38/02/16/506380216.db2.gz YAEAPTKFGZHJOT-JOCHJYFZSA-N 2 0 369.553 3.389 20 0 FGADRP Cc1ccccc1[C@@H]([C@@H](C)NC(=O)N(C)CCC[NH+]1CCCC1)[NH+](C)C ZINC000508894001 503592308 /nfs/dbraw/zinc/59/23/08/503592308.db2.gz JWKSCJPYMGOZEB-UYAOXDASSA-N 2 0 360.546 3.114 20 0 FGADRP C[C@H](NC(=O)N1CCC[C@@H]1C[NH+]1CCCCC1)[C@@H](c1ccccc1)[NH+](C)C ZINC000508904942 503596062 /nfs/dbraw/zinc/59/60/62/503596062.db2.gz JFFCHSNOMKDSGC-TYPHKJRUSA-N 2 0 372.557 3.338 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1CCCNC(=O)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000516839506 503597413 /nfs/dbraw/zinc/59/74/13/503597413.db2.gz IARSAYTVLDANGD-CTNGQTDRSA-N 2 0 357.542 3.279 20 0 FGADRP C[C@H]1CCCC[N@@H+]1CCCNC(=O)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000516839507 503597546 /nfs/dbraw/zinc/59/75/46/503597546.db2.gz IARSAYTVLDANGD-FPOVZHCZSA-N 2 0 357.542 3.279 20 0 FGADRP Cc1ccccc1[C@H]([C@@H](C)NC(=O)N1CC[C@H](C[NH+]2CCCC2)C1)[NH+](C)C ZINC000508909731 503597658 /nfs/dbraw/zinc/59/76/58/503597658.db2.gz XNQLXKMFSQFYGW-SBHAEUEKSA-N 2 0 372.557 3.114 20 0 FGADRP COc1ccc(C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)cn1 ZINC000512646817 503601943 /nfs/dbraw/zinc/60/19/43/503601943.db2.gz DIYVRGYLVQLGEB-PWRODBHTSA-N 2 0 351.494 3.481 20 0 FGADRP CC(C)[NH+](CCN(C)C(=O)N[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)C(C)C ZINC000512693379 503614677 /nfs/dbraw/zinc/61/46/77/503614677.db2.gz IMLLHSYCFYZEKN-RTBURBONSA-N 2 0 366.594 3.400 20 0 FGADRP C[C@@H]1CN(C(=O)c2ccc(C[NH+](C)C)cc2)[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC000500440568 503625155 /nfs/dbraw/zinc/62/51/55/503625155.db2.gz WJKLBYUXNRRGAE-MOPGFXCFSA-N 2 0 365.521 3.483 20 0 FGADRP CCC[N@H+](CC(=O)NC[C@H](c1ccc(OC)cc1)[NH+]1CCCCC1)C1CC1 ZINC000509051837 503630938 /nfs/dbraw/zinc/63/09/38/503630938.db2.gz CIOMJKIHCADNKA-OAQYLSRUSA-N 2 0 373.541 3.213 20 0 FGADRP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)NCc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000516959362 503631100 /nfs/dbraw/zinc/63/11/00/503631100.db2.gz LJTYAIKPIXTFOB-UTKZUKDTSA-N 2 0 372.557 3.248 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccc2nccc(C)c2c1 ZINC000509070899 503635068 /nfs/dbraw/zinc/63/50/68/503635068.db2.gz OTENDYFTJASYPU-IBGZPJMESA-N 2 0 368.525 3.031 20 0 FGADRP C[NH+](C)CC1(C[NH2+]C[C@@H](O)CO[C@@H]2CCCc3ccccc32)CCCC1 ZINC000517130095 503651896 /nfs/dbraw/zinc/65/18/96/503651896.db2.gz NCTSECKYFAWFLS-TZIWHRDSSA-N 2 0 360.542 3.153 20 0 FGADRP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)C1 ZINC000517148992 503656129 /nfs/dbraw/zinc/65/61/29/503656129.db2.gz NVAJRTRVFGJMOA-VAMGGRTRSA-N 2 0 364.578 3.014 20 0 FGADRP CC1(C)NC(=O)CC[C@H]1[NH2+]CCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000495078215 503660576 /nfs/dbraw/zinc/66/05/76/503660576.db2.gz IRWROEYOYSDGSJ-OAQYLSRUSA-N 2 0 371.569 3.368 20 0 FGADRP C[N@H+](Cc1ccco1)Cc1ccccc1C[NH2+][C@@H]1CCC(=O)NC1(C)C ZINC000495082504 503663164 /nfs/dbraw/zinc/66/31/64/503663164.db2.gz WDEJCYQPHIDLPE-LJQANCHMSA-N 2 0 355.482 3.058 20 0 FGADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2cnc(-c3ccccn3)s2)C1 ZINC000536696945 503684919 /nfs/dbraw/zinc/68/49/19/503684919.db2.gz RHQKQPRZGOTUDC-MRXNPFEDSA-N 2 0 360.527 3.138 20 0 FGADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2c(F)cccc2N2CCCC2)C1 ZINC000536695727 503685071 /nfs/dbraw/zinc/68/50/71/503685071.db2.gz MQTWKAHUDOUPMH-SFHVURJKSA-N 2 0 363.521 3.359 20 0 FGADRP Cc1ccc(NC(=O)CC[NH2+]CC[C@@H](C)[N@H+](C)Cc2ccccc2)nc1 ZINC000517231264 503685867 /nfs/dbraw/zinc/68/58/67/503685867.db2.gz YNIMEMZHEQMHNV-GOSISDBHSA-N 2 0 354.498 3.219 20 0 FGADRP Cc1ccc(SCC[N@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)cc1C ZINC000532986560 503688799 /nfs/dbraw/zinc/68/87/99/503688799.db2.gz XXTAWKWIEHAJND-FQEVSTJZSA-N 2 0 361.599 3.496 20 0 FGADRP COc1ccccc1[C@H](CO)[NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000540181879 503700119 /nfs/dbraw/zinc/70/01/19/503700119.db2.gz HUGSFXSENBBBIS-JXFKEZNVSA-N 2 0 358.482 3.020 20 0 FGADRP C[C@H]1C[NH+](CCC2CC[NH+](Cc3ccc4c(c3)OCCO4)CC2)C[C@H](C)O1 ZINC000533023576 503702853 /nfs/dbraw/zinc/70/28/53/503702853.db2.gz RBERGZIGLALGGE-ROUUACIJSA-N 2 0 374.525 3.169 20 0 FGADRP CC(C)[C@H]1CN(C(=O)CC2CC[NH+](C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000529802858 503705175 /nfs/dbraw/zinc/70/51/75/503705175.db2.gz IIJCQMIAUQXTBT-OAQYLSRUSA-N 2 0 357.542 3.087 20 0 FGADRP C[C@H]([NH2+]CC(=O)N(C)C1CCCCC1)c1cccc(OCC[NH+](C)C)c1 ZINC000540223646 503717267 /nfs/dbraw/zinc/71/72/67/503717267.db2.gz OWNWKLCAQVPXEC-KRWDZBQOSA-N 2 0 361.530 3.069 20 0 FGADRP CC[N@H+](CCC1CCN(C(=O)NC[C@H](C)[NH+](C)C2CC2)CC1)CC(C)C ZINC000540272006 503728310 /nfs/dbraw/zinc/72/83/10/503728310.db2.gz YNAZHFXXSOXWCV-SFHVURJKSA-N 2 0 366.594 3.259 20 0 FGADRP C[C@H](NC(=O)[C@H](C)[NH+]1CCC([C@H]2CC[NH2+]C2)CC1)c1ccc(Cl)cc1 ZINC000517371923 503728688 /nfs/dbraw/zinc/72/86/88/503728688.db2.gz LNLIMHPXAYNTBW-MPGHIAIKSA-N 2 0 363.933 3.227 20 0 FGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccccc2-n2ccc(C)n2)[C@@H](C)C1 ZINC000536846523 503738552 /nfs/dbraw/zinc/73/85/52/503738552.db2.gz QWPSYYSSLIEYDD-GHTZIAJQSA-N 2 0 370.541 3.407 20 0 FGADRP Cc1ccccc1[C@H](CN1CCOCC1)[NH2+]CCCC[N@H+]1CCC[C@H](C)C1 ZINC000543406860 503758037 /nfs/dbraw/zinc/75/80/37/503758037.db2.gz MYHKBYGWNFSDJE-REWPJTCUSA-N 2 0 373.585 3.470 20 0 FGADRP C[NH2+][C@@H](CC(C)(C)C)C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000517562546 503772800 /nfs/dbraw/zinc/77/28/00/503772800.db2.gz SNJJWTSULSPNNP-KRWDZBQOSA-N 2 0 351.560 3.101 20 0 FGADRP CC(C)[C@@H]([NH2+]CCCC[NH+]1CCN(CCO)CC1)c1ccccc1Cl ZINC000537000213 503775022 /nfs/dbraw/zinc/77/50/22/503775022.db2.gz UKDHTLHHLCOWTF-HXUWFJFHSA-N 2 0 367.965 3.017 20 0 FGADRP CC(C)[C@H]([NH2+]CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)c1ccccc1 ZINC000546592095 503800571 /nfs/dbraw/zinc/80/05/71/503800571.db2.gz OMVZOBAIRZLXDH-UNMCSNQZSA-N 2 0 353.510 3.392 20 0 FGADRP C[C@H]1C[N@H+](CCOc2ccc(CC[NH2+][C@@H]3CC[NH+](C)[C@@H](C)C3)cc2)C[C@H]1C ZINC000537096133 503801308 /nfs/dbraw/zinc/80/13/08/503801308.db2.gz IMCCKLZGCURXHR-CUXKYVRBSA-N 3 0 373.585 3.268 20 0 FGADRP CC(C)[N@@H+](Cc1ccc(NC(=O)[C@H]2CC[NH+](C)C2)cc1)C[C@H]1CCCCO1 ZINC000537118640 503808073 /nfs/dbraw/zinc/80/80/73/503808073.db2.gz WNEFAFNNWRLOPJ-PZJWPPBQSA-N 2 0 373.541 3.356 20 0 FGADRP NC(=O)[C@H]1CCC[N@H+](CCC[NH2+][C@H](c2ccccc2)C2CCCCC2)C1 ZINC000537194836 503835253 /nfs/dbraw/zinc/83/52/53/503835253.db2.gz LBBTZHRRCPBFMO-LEWJYISDSA-N 2 0 357.542 3.485 20 0 FGADRP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000543639317 503837891 /nfs/dbraw/zinc/83/78/91/503837891.db2.gz DAZWXDFXMVXVQX-GHTZIAJQSA-N 2 0 372.557 3.023 20 0 FGADRP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@H+]3CCC[C@@H]3C(C)C)CC2)cc1 ZINC000537210705 503842894 /nfs/dbraw/zinc/84/28/94/503842894.db2.gz QTVXPMVXSCLURZ-OAQYLSRUSA-N 2 0 357.542 3.150 20 0 FGADRP CC[NH+](CC)CCN(CC(C)C)C(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000517913424 503865872 /nfs/dbraw/zinc/86/58/72/503865872.db2.gz JSKRDQWWHFAPLG-IBGZPJMESA-N 2 0 354.583 3.116 20 0 FGADRP C[N@H+]1CC=C(CNC(=O)NCc2ccccc2C[NH+]2CCCCCC2)CC1 ZINC000537273613 503866064 /nfs/dbraw/zinc/86/60/64/503866064.db2.gz PDQNUWSRQNGNSP-UHFFFAOYSA-N 2 0 370.541 3.124 20 0 FGADRP C[C@@H]1C[N@@H+](CC2CC[NH+](CCN3CCCc4ccccc43)CC2)C[C@H](C)O1 ZINC000533534517 503879214 /nfs/dbraw/zinc/87/92/14/503879214.db2.gz LGUDPIAYHYOWKN-BGYRXZFFSA-N 2 0 371.569 3.260 20 0 FGADRP [NH3+]C[C@@H](Cc1ccccc1)[C@@H]1CCCC[N@@H+]1Cc1cc(CO)ccc1F ZINC000530217867 503881137 /nfs/dbraw/zinc/88/11/37/503881137.db2.gz IOTHOGUHAKHVOE-KNQAVFIVSA-N 2 0 356.485 3.490 20 0 FGADRP Cc1oc(-c2cccs2)nc1CN1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530238589 503887726 /nfs/dbraw/zinc/88/77/26/503887726.db2.gz BHCRHDRXYZWWTG-MRXNPFEDSA-N 2 0 361.511 3.302 20 0 FGADRP Cc1ccccc1-c1cnc(C[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)o1 ZINC000530241823 503890694 /nfs/dbraw/zinc/89/06/94/503890694.db2.gz SBWXXLXGLNMKRG-GOSISDBHSA-N 2 0 355.482 3.241 20 0 FGADRP Cc1oc(-c2ccccc2)nc1C[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530242490 503891251 /nfs/dbraw/zinc/89/12/51/503891251.db2.gz TWWRLJOZYMQPPE-LJQANCHMSA-N 2 0 355.482 3.241 20 0 FGADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)N[C@@H]2CC[NH+](C3CCCC3)C2)C1 ZINC000518023369 503891574 /nfs/dbraw/zinc/89/15/74/503891574.db2.gz NXLKMHWKHFNJRP-MISYRCLQSA-N 2 0 370.541 3.138 20 0 FGADRP COc1ccc(C[C@H](C)C[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)cc1F ZINC000530248307 503894448 /nfs/dbraw/zinc/89/44/48/503894448.db2.gz INMPFYHDONIETP-LPHOPBHVSA-N 2 0 364.505 3.103 20 0 FGADRP C[C@@H]1C[C@H](CCNC(=O)c2c[nH+]ccc2N(C)C)C[N@@H+]1Cc1ccccc1 ZINC000546855939 503903525 /nfs/dbraw/zinc/90/35/25/503903525.db2.gz NIOCGAFGXSZTPK-MJGOQNOKSA-N 2 0 366.509 3.178 20 0 FGADRP CCO[C@@H]1C[C@H]([NH2+][C@@H](C)c2ccc(OCC[NH+](C)C)cc2)[C@@]12CCCO2 ZINC000546871580 503910867 /nfs/dbraw/zinc/91/08/67/503910867.db2.gz AQDUGCVQOPKHJB-DVWBAYGPSA-N 2 0 362.514 3.004 20 0 FGADRP COc1cccc([C@@H](C[NH2+]Cc2cn(-c3cc[nH+]cc3)nc2C)OC)c1 ZINC000527735230 503921198 /nfs/dbraw/zinc/92/11/98/503921198.db2.gz HRZGBRLKGTUYRD-HXUWFJFHSA-N 2 0 352.438 3.062 20 0 FGADRP Cc1cc(NC(=O)N[C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c(C)cn1 ZINC000540913523 503936791 /nfs/dbraw/zinc/93/67/91/503936791.db2.gz SSNHUYWLFRSNHQ-PKOBYXMFSA-N 2 0 352.482 3.152 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)CCN(C)c1cc[nH+]cc1 ZINC000540926271 503941105 /nfs/dbraw/zinc/94/11/05/503941105.db2.gz GBVWCUKDPDOBDI-LJQANCHMSA-N 2 0 366.509 3.031 20 0 FGADRP Clc1ccc(-c2noc(CC[N@@H+]3CCCC[C@@H]3[C@H]3CC[NH2+]C3)n2)cc1 ZINC000518349053 503958571 /nfs/dbraw/zinc/95/85/71/503958571.db2.gz PAXRYJNWZJEAKQ-DOTOQJQBSA-N 2 0 360.889 3.397 20 0 FGADRP CC(C)[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1ccc(F)cn1 ZINC000540988819 503966355 /nfs/dbraw/zinc/96/63/55/503966355.db2.gz QELLTYXAMYSQGY-PZJWPPBQSA-N 2 0 357.473 3.274 20 0 FGADRP CN(C)CC[NH+]1CCC(C[NH2+][C@@H]2CCc3cc(F)c(Cl)cc32)CC1 ZINC000527860813 503975679 /nfs/dbraw/zinc/97/56/79/503975679.db2.gz YHYFNUFBVPPKOE-LJQANCHMSA-N 2 0 353.913 3.330 20 0 FGADRP COc1ccc(CC[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)cn1 ZINC000527991428 504029679 /nfs/dbraw/zinc/02/96/79/504029679.db2.gz VPJIFAULTGSIDA-PCCBWWKXSA-N 2 0 351.494 3.133 20 0 FGADRP C[C@H]1C[NH+](CCCC[NH2+]Cc2ccc(OCC(F)F)cc2)C[C@H](C)O1 ZINC000530633422 504033925 /nfs/dbraw/zinc/03/39/25/504033925.db2.gz PVOMHMIKTSJVKS-HOTGVXAUSA-N 2 0 356.457 3.310 20 0 FGADRP O=C1Nc2ccccc2C[C@@H]1N[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000528001975 504034690 /nfs/dbraw/zinc/03/46/90/504034690.db2.gz QNCDSRFUAWZDJL-IIZPIQPGSA-N 2 0 361.489 3.335 20 0 FGADRP C[C@@H](C(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000530641845 504035756 /nfs/dbraw/zinc/03/57/56/504035756.db2.gz VVPUDYXJIBYINF-CYBMUJFWSA-N 2 0 360.329 3.049 20 0 FGADRP CCCN(CCC)C(=O)C[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000537843543 504062059 /nfs/dbraw/zinc/06/20/59/504062059.db2.gz VBALNSWLEQODHP-UHFFFAOYSA-N 2 0 360.546 3.269 20 0 FGADRP CC[N@H+](CCC1CC[NH+](CC(=O)N(C(C)C)C(C)C)CC1)CC1CC1 ZINC000537847815 504063668 /nfs/dbraw/zinc/06/36/68/504063668.db2.gz VABAPXZTKFZPBR-UHFFFAOYSA-N 2 0 351.579 3.466 20 0 FGADRP CC[N@H+](CCC1CC[NH+](CC(=O)N(C)c2ccccc2)CC1)CC1CC1 ZINC000537848508 504063699 /nfs/dbraw/zinc/06/36/99/504063699.db2.gz FZSXFGMQNQVBQJ-UHFFFAOYSA-N 2 0 357.542 3.483 20 0 FGADRP Cc1c[nH+]ccc1N1CCC(C(=O)NC2CC[NH+](C3CCCC3)CC2)CC1 ZINC000530745400 504072417 /nfs/dbraw/zinc/07/24/17/504072417.db2.gz HRJKILWVKBYYHK-UHFFFAOYSA-N 2 0 370.541 3.130 20 0 FGADRP C[C@H](CCN1C(=O)c2ccccc2C1=O)[NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000547367968 504079015 /nfs/dbraw/zinc/07/90/15/504079015.db2.gz YFTAGQFMSWSJDJ-QZTJIDSGSA-N 2 0 371.525 3.163 20 0 FGADRP Cc1cc2ncn(C[C@H](O)C[NH2+]CCCC[NH+]3CCC(C)CC3)c2cc1C ZINC000518963567 504103982 /nfs/dbraw/zinc/10/39/82/504103982.db2.gz FVXZWYFPUAQEEM-HXUWFJFHSA-N 2 0 372.557 3.116 20 0 FGADRP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(C[NH2+][C@H]3CCC[C@@H]3C3CC3)c2)C1 ZINC000538100154 504132867 /nfs/dbraw/zinc/13/28/67/504132867.db2.gz BMRFROGOWACMHT-NJYVYQBISA-N 2 0 355.526 3.052 20 0 FGADRP Cc1nc2ccccc2n1C[C@@H]1CCC[N@H+]1CCC(=O)N1CCC[C@H]1C ZINC000534471973 504150325 /nfs/dbraw/zinc/15/03/25/504150325.db2.gz GIWPLEBISWDHBX-AEFFLSMTSA-N 2 0 354.498 3.210 20 0 FGADRP CC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCCN2Cc2ccc(Cl)cc2)C1 ZINC000528307776 504161494 /nfs/dbraw/zinc/16/14/94/504161494.db2.gz PAQNYAOYSFJIAZ-HKUYNNGSSA-N 2 0 363.933 3.153 20 0 FGADRP Cc1nn(-c2cc[nH+]cc2)cc1CN(C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000541533744 504166335 /nfs/dbraw/zinc/16/63/35/504166335.db2.gz AZNRNZDSQYYQDS-QFIPXVFZSA-N 2 0 361.493 3.282 20 0 FGADRP CC(C)CCn1cccc1C[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000544600584 504187239 /nfs/dbraw/zinc/18/72/39/504187239.db2.gz FCLBEZJPGXDGAF-UHFFFAOYSA-N 2 0 360.590 3.384 20 0 FGADRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N[C@@H]2CC[NH+](C)[C@H]2c2ccccc2)C1 ZINC000534611371 504191020 /nfs/dbraw/zinc/19/10/20/504191020.db2.gz OCXSSYBEFOTFTI-RLLQIKCJSA-N 2 0 372.557 3.242 20 0 FGADRP CC[NH+](CC)CC1CCN(C(=O)NCC[NH+]2[C@H](C)CCC[C@H]2C)CC1 ZINC000519388434 504208670 /nfs/dbraw/zinc/20/86/70/504208670.db2.gz MWJTUCONKBNLMC-QZTJIDSGSA-N 2 0 352.567 3.013 20 0 FGADRP O=C1[C@H](N2CCC(c3c[nH]cn3)CC2)CCN1c1ccc(Cl)cc1F ZINC000528428184 504219904 /nfs/dbraw/zinc/21/99/04/504219904.db2.gz YWGYAWVOCBPEQF-QGZVFWFLSA-N 2 0 362.836 3.187 20 0 FGADRP C[C@@H](CC[NH+](C)C)NC(=O)NCc1ccc(C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000519452997 504224188 /nfs/dbraw/zinc/22/41/88/504224188.db2.gz RVFFFJJVOSJDSJ-QRVBRYPASA-N 2 0 374.573 3.304 20 0 FGADRP C[C@H](CC[NH+](C)C)NC(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000519451444 504224298 /nfs/dbraw/zinc/22/42/98/504224298.db2.gz AUOQBHJRGCXOPA-QZTJIDSGSA-N 2 0 360.546 3.058 20 0 FGADRP Cc1cc(NC(=O)NC[C@H]2CCC[N@H+](C)C2)cnc1N1CCCC[C@@H]1C ZINC000541878194 504286753 /nfs/dbraw/zinc/28/67/53/504286753.db2.gz ZYGZONUPIKSRBR-DLBZAZTESA-N 2 0 359.518 3.232 20 0 FGADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(-n2cncn2)c(F)c1 ZINC000531430210 504303593 /nfs/dbraw/zinc/30/35/93/504303593.db2.gz BZBUKKRKFDPCHR-HKUYNNGSSA-N 2 0 359.493 3.397 20 0 FGADRP CC(C)CC[NH+]1CCC(CNC(=O)N2CCC[N@@H+](C(C)(C)C)CC2)CC1 ZINC000531429280 504303735 /nfs/dbraw/zinc/30/37/35/504303735.db2.gz ZTGRDMILVPNYPZ-UHFFFAOYSA-N 2 0 366.594 3.260 20 0 FGADRP OC[C@@]1([NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)COc2ccccc2C1 ZINC000528646632 504311074 /nfs/dbraw/zinc/31/10/74/504311074.db2.gz UVKCLCQNVQFKAY-HSZRJFAPSA-N 2 0 366.505 3.128 20 0 FGADRP CC(C)[C@@H]1C[NH2+]CCN1C(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000528682969 504329280 /nfs/dbraw/zinc/32/92/80/504329280.db2.gz FUZQEBBNLWUZFN-FQEVSTJZSA-N 2 0 374.529 3.013 20 0 FGADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCc1cnn(C)c1C(F)(F)F ZINC000548160185 504353631 /nfs/dbraw/zinc/35/36/31/504353631.db2.gz JXAZUTAINOLDPS-YOEHRIQHSA-N 2 0 366.431 3.439 20 0 FGADRP CCOC(=O)COc1ccc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000538799707 504376159 /nfs/dbraw/zinc/37/61/59/504376159.db2.gz SGLWFMDNCQAKDE-RXVVDRJESA-N 2 0 372.509 3.077 20 0 FGADRP c1cnc(N2CCC([NH2+]Cc3ccc(C[NH+]4CCCCC4)cc3)CC2)cn1 ZINC000531690269 504393193 /nfs/dbraw/zinc/39/31/93/504393193.db2.gz HYZVIUHJYXCNEI-UHFFFAOYSA-N 2 0 365.525 3.221 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H](NC[C@@H]2CCC[NH+](CC(C)C)C2)[C@@H](C)C1 ZINC000539046012 504456634 /nfs/dbraw/zinc/45/66/34/504456634.db2.gz GBUOFRLCRJIRDS-ACRUOGEOSA-N 2 0 353.595 3.081 20 0 FGADRP COc1ccc([C@H](C)[NH2+]C2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)cc1Cl ZINC000539058557 504460853 /nfs/dbraw/zinc/46/08/53/504460853.db2.gz KXQVIOFHIJMQIU-VHSSKADRSA-N 2 0 352.906 3.377 20 0 FGADRP CC(C)[N@H+](C)CCC[NH2+][C@@H](C)CC(=O)N(C)Cc1cccc(Cl)c1 ZINC000531944789 504482901 /nfs/dbraw/zinc/48/29/01/504482901.db2.gz KXSWSFXOKMOLTB-INIZCTEOSA-N 2 0 353.938 3.397 20 0 FGADRP C[C@@H](CCNC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCCCC1 ZINC000542450687 504494480 /nfs/dbraw/zinc/49/44/80/504494480.db2.gz IEWXRZYOQVAHIX-FPOVZHCZSA-N 2 0 372.557 3.167 20 0 FGADRP COCCC[NH+]1CCC([NH2+][C@H](c2ccc3[nH]c(=O)oc3c2)C(C)C)CC1 ZINC000539200949 504496860 /nfs/dbraw/zinc/49/68/60/504496860.db2.gz HXONBXIEHILQFC-IBGZPJMESA-N 2 0 361.486 3.321 20 0 FGADRP Cc1ccc(Cl)cc1NC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000548627893 504501844 /nfs/dbraw/zinc/50/18/44/504501844.db2.gz QGCOTBBRNILENA-UHFFFAOYSA-N 2 0 354.926 3.386 20 0 FGADRP Fc1ccc2c(c1)CCC[C@@H]2[NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000539317560 504528055 /nfs/dbraw/zinc/52/80/55/504528055.db2.gz PITBKTWSMUBHFE-QFIPXVFZSA-N 2 0 368.500 3.400 20 0 FGADRP CC1CC[NH+](CC(=O)NCc2ccccc2C[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000532134390 504545351 /nfs/dbraw/zinc/54/53/51/504545351.db2.gz ATCQSNMXBUCDLH-LJQANCHMSA-N 2 0 357.542 3.267 20 0 FGADRP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000548739708 504548345 /nfs/dbraw/zinc/54/83/45/504548345.db2.gz DYQXDDDUIKYPBD-CEXWTWQISA-N 2 0 357.542 3.379 20 0 FGADRP C[NH+](C)CC1CC[NH+](CCC(=O)Nc2ccc(Br)cc2)CC1 ZINC000590125231 506742990 /nfs/dbraw/zinc/74/29/90/506742990.db2.gz OCHHMAPOPBMFIH-UHFFFAOYSA-N 2 0 368.319 3.051 20 0 FGADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)NCC[NH+]2[C@H](C)CCC[C@@H]2C)C1 ZINC000520756747 504575221 /nfs/dbraw/zinc/57/52/21/504575221.db2.gz VZSHJEQIUHWRMN-HDAAZOAOSA-N 2 0 372.557 3.384 20 0 FGADRP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000520782531 504580902 /nfs/dbraw/zinc/58/09/02/504580902.db2.gz SVTUTAUASGLRNM-SFHLNBCPSA-N 2 0 372.557 3.386 20 0 FGADRP CC[NH+](CC)CC1CC[NH+]([C@@H](C)C(=O)N[C@@H](C)c2ccc(F)cc2)CC1 ZINC000520792561 504583228 /nfs/dbraw/zinc/58/32/28/504583228.db2.gz ZWHYOXSXCNCUIT-IRXDYDNUSA-N 2 0 363.521 3.445 20 0 FGADRP CN(CCC(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1)c1cc[nH+]cc1 ZINC000542786726 504610958 /nfs/dbraw/zinc/61/09/58/504610958.db2.gz PZXOXJYLFLRHLO-UZLBHIALSA-N 2 0 372.538 3.169 20 0 FGADRP C[NH2+]Cc1ccccc1NC(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000521001290 504627186 /nfs/dbraw/zinc/62/71/86/504627186.db2.gz LHLQHMXVOIGCMX-GOSISDBHSA-N 2 0 360.889 3.484 20 0 FGADRP CCC1(CC)[C@H]([NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H]2CO)C[C@H]1OC ZINC000542847857 504633310 /nfs/dbraw/zinc/63/33/10/504633310.db2.gz YCUJYJMDDMGNLH-NJDAHSKKSA-N 2 0 360.542 3.327 20 0 FGADRP CC(C)C[C@H]([NH2+][C@H]1CC2(CCC2)Oc2ccccc21)C(=O)NCC[NH+](C)C ZINC000539646180 504637990 /nfs/dbraw/zinc/63/79/90/504637990.db2.gz YXVAODFYGJOHTI-OALUTQOASA-N 2 0 373.541 3.115 20 0 FGADRP C[C@@H](CCN1C(=O)c2ccccc2C1=O)[NH2+][C@H](CC[NH+](C)C)C(C)(C)C ZINC000545954112 504652656 /nfs/dbraw/zinc/65/26/56/504652656.db2.gz LOELGVCCHVRUTI-MAUKXSAKSA-N 2 0 359.514 3.017 20 0 FGADRP CC[NH+]1CCN(Cc2ccc(C[NH2+][C@@H]3CC(C)(C)OC3(C)C)cc2)CC1 ZINC000532447118 504654475 /nfs/dbraw/zinc/65/44/75/504654475.db2.gz NVNQZUYOEAJSCP-HXUWFJFHSA-N 2 0 359.558 3.260 20 0 FGADRP CC[NH+](CC)CCOC1CC[NH+](CCC(=O)c2ccc(F)cc2)CC1 ZINC000539719966 504664544 /nfs/dbraw/zinc/66/45/44/504664544.db2.gz PYEBUPAKFIYPCV-UHFFFAOYSA-N 2 0 350.478 3.221 20 0 FGADRP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(OCc3nccn3C)cc2)C[C@H]1C ZINC000532589540 504704333 /nfs/dbraw/zinc/70/43/33/504704333.db2.gz LFVMGXRBVVYADB-IEBWSBKVSA-N 2 0 356.514 3.304 20 0 FGADRP C[C@H]1C[NH+](CCCC[NH2+]Cc2cc(Cl)cc3c2OCC3)C[C@H](C)O1 ZINC000543062319 504708092 /nfs/dbraw/zinc/70/80/92/504708092.db2.gz CJSMUXPUQFPKFG-GJZGRUSLSA-N 2 0 352.906 3.254 20 0 FGADRP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NCC(=O)NC(C1CC1)C1CC1 ZINC000549166735 504708792 /nfs/dbraw/zinc/70/87/92/504708792.db2.gz VOMYGRSXELFASU-HXUWFJFHSA-N 2 0 369.553 3.182 20 0 FGADRP C[NH+](C)[C@H](CNC(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+])c1ccc(Cl)cc1 ZINC000521619602 504765451 /nfs/dbraw/zinc/76/54/51/504765451.db2.gz DOHDHLANAURLMJ-DRGBWMFJSA-N 2 0 363.933 3.213 20 0 FGADRP CC[NH+]1CCC(CCNC(=O)N[C@]2(C)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000565072078 504787522 /nfs/dbraw/zinc/78/75/22/504787522.db2.gz ZGFZZAYRZVNCSC-JOCHJYFZSA-N 2 0 372.557 3.072 20 0 FGADRP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]C[C@H](O)Cc1ccc(F)cc1 ZINC000559151793 504792303 /nfs/dbraw/zinc/79/23/03/504792303.db2.gz QIDRLXAEJSXGDC-JBYIUTFZSA-N 2 0 370.512 3.475 20 0 FGADRP C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)c2ccccc2CC[NH3+])C1 ZINC000565150918 504808962 /nfs/dbraw/zinc/80/89/62/504808962.db2.gz IZCGLWHOADYVTF-SFHVURJKSA-N 2 0 365.521 3.350 20 0 FGADRP C[C@H]1CCCC[N@@H+]1CCC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000559269084 504814360 /nfs/dbraw/zinc/81/43/60/504814360.db2.gz VVFRHPKLMUEFPD-KRWDZBQOSA-N 2 0 361.555 3.438 20 0 FGADRP C[C@@H]([NH2+]CCc1ccc(OCC[NH+](C)C)cc1)c1cn2ccccc2n1 ZINC000556236244 504824744 /nfs/dbraw/zinc/82/47/44/504824744.db2.gz JROGNDMNVDOXQI-QGZVFWFLSA-N 2 0 352.482 3.168 20 0 FGADRP CC[NH+](CC)CCCNC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000549448100 504825175 /nfs/dbraw/zinc/82/51/75/504825175.db2.gz FGQRYNGAJMMQSB-HXUWFJFHSA-N 2 0 374.573 3.318 20 0 FGADRP COc1cccc(NC(=O)[C@H](c2ccccc2)[N@@H+]2CCC[C@@H](CC[NH3+])C2)c1 ZINC000565303539 504849060 /nfs/dbraw/zinc/84/90/60/504849060.db2.gz RSYUFBZORHCIGN-UWJYYQICSA-N 2 0 367.493 3.436 20 0 FGADRP CC[NH+](CC)CCN(CC(C)C)C(=O)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000553197194 504849879 /nfs/dbraw/zinc/84/98/79/504849879.db2.gz YHQNFDBRDHFREZ-LJQANCHMSA-N 2 0 369.619 3.030 20 0 FGADRP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)c1ccc2c[nH+]cn2c1 ZINC000559546417 504884612 /nfs/dbraw/zinc/88/46/12/504884612.db2.gz FYEJHUWLKPWMBE-IRXDYDNUSA-N 2 0 362.477 3.221 20 0 FGADRP CC[NH+](CC)Cc1ccc(CNC(=O)N2C[C@@H]([NH+]3CCCC3)C[C@H]2C)cc1 ZINC000553377253 504898355 /nfs/dbraw/zinc/89/83/55/504898355.db2.gz ZRQOXLFZRNHEIC-NQIIRXRSSA-N 2 0 372.557 3.297 20 0 FGADRP Cc1ccccc1C[C@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)C1CC1 ZINC000556584013 504910901 /nfs/dbraw/zinc/91/09/01/504910901.db2.gz NKBNAFFWJJAOPQ-NRFANRHFSA-N 2 0 353.510 3.441 20 0 FGADRP Nc1nccc([C@H]2CCC[N@H+](Cc3cccc(C[NH+]4CCCCC4)c3)C2)n1 ZINC000562702835 504913647 /nfs/dbraw/zinc/91/36/47/504913647.db2.gz SLPXKZQOPZKNNE-FQEVSTJZSA-N 2 0 365.525 3.255 20 0 FGADRP CC[C@@H]([NH2+][C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)c1ccc(Cl)s1 ZINC000565593140 504932323 /nfs/dbraw/zinc/93/23/23/504932323.db2.gz GSDQKSCCUHGXJO-XNJGSVPQSA-N 2 0 355.935 3.089 20 0 FGADRP C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)NCC3(C)CC[NH2+]CC3)cc2)C1 ZINC000562790135 504946354 /nfs/dbraw/zinc/94/63/54/504946354.db2.gz WKBWZCBQPOZIKT-GOSISDBHSA-N 2 0 372.557 3.107 20 0 FGADRP C[C@H]([NH2+]C1(CNC(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)CCCC1)c1ccccc1 ZINC000562809387 504953904 /nfs/dbraw/zinc/95/39/04/504953904.db2.gz CSKDCJXURWVVMQ-SXLOBPIMSA-N 2 0 370.541 3.186 20 0 FGADRP Cc1[nH+]ccc(N2CCN([C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)c1Cl ZINC000553678550 504980551 /nfs/dbraw/zinc/98/05/51/504980551.db2.gz GGFGILIWAURWRT-IBGZPJMESA-N 2 0 370.928 3.440 20 0 FGADRP FC(F)(F)c1ccc(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)nc1 ZINC000560165094 505008413 /nfs/dbraw/zinc/00/84/13/505008413.db2.gz CCJWIMKUHZSTJE-UHFFFAOYSA-N 2 0 371.447 3.425 20 0 FGADRP CCC[N@@H+]1CC[C@H](C[NH2+]C[C@@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000562985178 505009470 /nfs/dbraw/zinc/00/94/70/505009470.db2.gz ICVAMZVQXQYEGS-UKRRQHHQSA-N 2 0 361.313 3.055 20 0 FGADRP CC(C)C[N@@H+]1CC[C@@H](C[NH2+]C[C@@H](O)COc2ccc3ccccc3c2)C1 ZINC000562989908 505011965 /nfs/dbraw/zinc/01/19/65/505011965.db2.gz BMVXWGPTWQJCGV-GHTZIAJQSA-N 2 0 356.510 3.147 20 0 FGADRP C[N@@H+]1CCC[C@H]2CN(Cc3cccc(I)c3)CC[C@@H]21 ZINC000560258685 505031598 /nfs/dbraw/zinc/03/15/98/505031598.db2.gz SCRIMTQCDGNHMA-HOCLYGCPSA-N 2 0 370.278 3.207 20 0 FGADRP [NH3+][C@H]1CCCO[C@H]1C1CC[NH+](Cc2cnn(-c3ccc(Cl)cc3)c2)CC1 ZINC000556963977 505032675 /nfs/dbraw/zinc/03/26/75/505032675.db2.gz UEZGDXXTYMLKHQ-PMACEKPBSA-N 2 0 374.916 3.244 20 0 FGADRP C[NH+]1CCC(O)(C[NH2+][C@@H]2CCCCc3cc(Br)ccc32)CC1 ZINC000556984303 505038267 /nfs/dbraw/zinc/03/82/67/505038267.db2.gz FSEQTRDTYQNMND-QGZVFWFLSA-N 2 0 367.331 3.263 20 0 FGADRP CC(C)[NH+]1CCN(c2cccc(NC(=O)C[C@@H]([NH3+])c3ccccc3)c2)CC1 ZINC000563086596 505043339 /nfs/dbraw/zinc/04/33/39/505043339.db2.gz MMKUGRYMAYIRHV-OAQYLSRUSA-N 2 0 366.509 3.246 20 0 FGADRP CC1CC[NH+](C2CCC(NC(=O)Nc3cccc4c3CC[NH2+]C4)CC2)CC1 ZINC000557032320 505048225 /nfs/dbraw/zinc/04/82/25/505048225.db2.gz JXILUXPTWQBJTG-UHFFFAOYSA-N 2 0 370.541 3.497 20 0 FGADRP C[NH+](C)Cc1c2ccccc2oc1C(=O)N1CCC([C@@H]2[NH2+]CC2(C)C)CC1 ZINC000563112108 505050952 /nfs/dbraw/zinc/05/09/52/505050952.db2.gz CJSYOVOBLKQURO-FQEVSTJZSA-N 2 0 369.509 3.345 20 0 FGADRP CCC[NH+]1CCC([NH2+][C@@H]2CCN(c3cccc(Br)c3)C2)CC1 ZINC000553985684 505061521 /nfs/dbraw/zinc/06/15/21/505061521.db2.gz DYCUGUWHSBXGCZ-QGZVFWFLSA-N 2 0 366.347 3.492 20 0 FGADRP C[N@H+](CCOCC[NH3+])Cc1cn(-c2ccccc2)nc1-c1cccs1 ZINC000563155212 505061671 /nfs/dbraw/zinc/06/16/71/505061671.db2.gz GKCUUGMJDOMPAL-UHFFFAOYSA-N 2 0 356.495 3.008 20 0 FGADRP CCO[C@@H]1C[C@@]([NH3+])(C(=O)Nc2ccc3c(c2)nc(C(C)(C)C)n3C)C1(C)C ZINC000566191852 505108468 /nfs/dbraw/zinc/10/84/68/505108468.db2.gz XHVRCUWXAJQDQS-IIBYNOLFSA-N 2 0 372.513 3.342 20 0 FGADRP COc1ccc(Cl)cc1N1CC[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)C1 ZINC000560525935 505114531 /nfs/dbraw/zinc/11/45/31/505114531.db2.gz BGNXSYNLMYNZNP-FJIDUMEYSA-N 2 0 363.933 3.390 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N1CC[C@@H]([NH+]2CCCC2)[C@@H]1C)c1ccccc1 ZINC000554218415 505119009 /nfs/dbraw/zinc/11/90/09/505119009.db2.gz OJRKPQPLLPRBJW-CEWLAPEOSA-N 2 0 372.557 3.338 20 0 FGADRP COc1cc([C@H](C)[NH2+]CCCC[NH+]2CCN(c3ccccc3)CC2)ccn1 ZINC000550940548 505127108 /nfs/dbraw/zinc/12/71/08/505127108.db2.gz QQMYHKSCIQFHTD-IBGZPJMESA-N 2 0 368.525 3.343 20 0 FGADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2NC(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000563452981 505145515 /nfs/dbraw/zinc/14/55/15/505145515.db2.gz XLCUBAGKKKJJBZ-FUUYNRHESA-N 2 0 370.541 3.352 20 0 FGADRP CCOc1ccccc1N1CC[NH+](Cc2ccc3c(c2)C[NH2+]CC3)CC1 ZINC000566352160 505150956 /nfs/dbraw/zinc/15/09/56/505150956.db2.gz ZGXWFEPNNCJSQG-UHFFFAOYSA-N 2 0 351.494 3.053 20 0 FGADRP Cc1ccc2c(c1)[C@H]([NH2+]C[C@@H](O)CN1CCc3ccccc3C1)CCC2 ZINC000551275782 505190715 /nfs/dbraw/zinc/19/07/15/505190715.db2.gz WZSRZRDKTMNOFQ-FYYLOGMGSA-N 2 0 350.506 3.381 20 0 FGADRP CC[C@@H](C(=O)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1)[NH+](CC)CC ZINC000557641498 505191094 /nfs/dbraw/zinc/19/10/94/505191094.db2.gz TYUZBFXQRLALAN-UNMCSNQZSA-N 2 0 357.542 3.231 20 0 FGADRP COc1cc(F)c([C@H](C)[NH2+]CCCC[NH+]2C[C@H](C)O[C@@H](C)C2)cc1OC ZINC000560897414 505208711 /nfs/dbraw/zinc/20/87/11/505208711.db2.gz FGLYQCFFGWBJFX-JYJNAYRXSA-N 2 0 368.493 3.383 20 0 FGADRP CCCN(CCC[NH+](C)C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H]1C ZINC000554622075 505225334 /nfs/dbraw/zinc/22/53/34/505225334.db2.gz MGMBBUPFTKVYHJ-ICSRJNTNSA-N 2 0 360.546 3.023 20 0 FGADRP C[C@H]1C[C@H]1[N@@H+]1CCN(C(=O)c2ccc(C[NH+]3CCCCC3)cc2)C[C@@H](C)C1 ZINC000558012321 505285378 /nfs/dbraw/zinc/28/53/78/505285378.db2.gz POFWCCPBWPXZQZ-CNNODRBYSA-N 2 0 369.553 3.475 20 0 FGADRP C[C@@H]1CN(C(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)C[C@@]1(C)C[NH3+] ZINC000566904160 505307588 /nfs/dbraw/zinc/30/75/88/505307588.db2.gz SSZHLRMVUISQDQ-XMSQKQJNSA-N 2 0 372.557 3.189 20 0 FGADRP C[C@H](CCc1n[nH]c2ccccc12)[NH2+]Cc1ccncc1OCC[NH+](C)C ZINC000564152692 505339475 /nfs/dbraw/zinc/33/94/75/505339475.db2.gz QTVLRLCLWZPUAG-MRXNPFEDSA-N 2 0 367.497 3.009 20 0 FGADRP CC(C)[N@H+](C)CC1CC[NH+]([C@H](C)C(=O)N[C@H]2CCOc3ccccc32)CC1 ZINC000551908375 505339745 /nfs/dbraw/zinc/33/97/45/505339745.db2.gz HRVNOMQRYAZZLJ-XLIONFOSSA-N 2 0 373.541 3.067 20 0 FGADRP C[C@H]([NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1cccc(-n2ccnn2)c1 ZINC000558261237 505346815 /nfs/dbraw/zinc/34/68/15/505346815.db2.gz ZXKDLZBJKFIGDY-AZUAARDMSA-N 2 0 361.493 3.440 20 0 FGADRP C[N@H+](C[C@@H](O)COc1ccc2ccccc2c1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000552021943 505372797 /nfs/dbraw/zinc/37/27/97/505372797.db2.gz LHCWZYPAMSICLA-JGUMPVPUSA-N 2 0 354.494 3.137 20 0 FGADRP O=C(NCc1ccccc1C[NH+]1CCCCC1)C1CC[NH+](C2CC2)CC1 ZINC000555198222 505376571 /nfs/dbraw/zinc/37/65/71/505376571.db2.gz NEULBKKDRFJKMU-UHFFFAOYSA-N 2 0 355.526 3.163 20 0 FGADRP CNC(=O)C[C@H](C)[NH2+][C@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000555233286 505386330 /nfs/dbraw/zinc/38/63/30/505386330.db2.gz UFNHQKYIRRECKN-NCCWBEGSSA-N 2 0 363.933 3.368 20 0 FGADRP C[C@H]([NH2+]C1(CNC(=O)N2CCC(C[NH3+])CC2)CCCC1)c1ccccc1 ZINC000564430478 505417823 /nfs/dbraw/zinc/41/78/23/505417823.db2.gz BRTLLEOUGRPEMT-KRWDZBQOSA-N 2 0 358.530 3.030 20 0 FGADRP CCCC[N@H+](C)C[C@@H](C)NC(=O)NC[C@@H](c1ccc(C)o1)[NH+]1CCCC1 ZINC000558602710 505436312 /nfs/dbraw/zinc/43/63/12/505436312.db2.gz LRXYCNREEHCASG-AEFFLSMTSA-N 2 0 364.534 3.145 20 0 FGADRP CC(C)COC[C@H](O)C[NH2+][C@@H]1CCCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000552250874 505440819 /nfs/dbraw/zinc/44/08/19/505440819.db2.gz DHWGHFHNDAPSNQ-GSPCLOLRSA-N 2 0 374.569 3.300 20 0 FGADRP Cc1cc(Cl)cc(C[NH2+][C@@H](Cc2ccccc2)C(=O)NCC[NH+](C)C)c1 ZINC000555564133 505458327 /nfs/dbraw/zinc/45/83/27/505458327.db2.gz GLKMDNNNJUDFER-FQEVSTJZSA-N 2 0 373.928 3.027 20 0 FGADRP C[N@@H+]1CC[C@H]([NH2+]Cc2cccc(NC(=O)c3ccccn3)c2)[C@@H]2CCC[C@H]21 ZINC000567532280 505490472 /nfs/dbraw/zinc/49/04/72/505490472.db2.gz RQSDHJFKDXVQJS-IRFCIJBXSA-N 2 0 364.493 3.296 20 0 FGADRP CC(C)(C(=O)NCCC[N@@H+]1CCc2ccccc2C1)[C@@H]([NH3+])c1ccccc1 ZINC000564794861 505522140 /nfs/dbraw/zinc/52/21/40/505522140.db2.gz BACAWLZDVVSPMA-NRFANRHFSA-N 2 0 365.521 3.277 20 0 FGADRP COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000567652902 505525462 /nfs/dbraw/zinc/52/54/62/505525462.db2.gz LRUTXQBRDLWWEZ-DSJMHWKBSA-N 2 0 365.905 3.043 20 0 FGADRP CC(C)[N@H+](C)Cc1ccccc1C[NH2+]CCS(=O)(=O)c1ccccc1 ZINC000567677262 505531987 /nfs/dbraw/zinc/53/19/87/505531987.db2.gz NMSCCVCVMYSIGA-UHFFFAOYSA-N 2 0 360.523 3.090 20 0 FGADRP Cc1cccc(N2CC[NH+](CCCC[NH2+][C@H]3C[C@@H](C)O[C@@H](C)C3)CC2)c1 ZINC000567680488 505534208 /nfs/dbraw/zinc/53/42/08/505534208.db2.gz CMGSJLHOCPLNGI-AERCQKQUSA-N 2 0 359.558 3.443 20 0 FGADRP Cc1ccccc1[C@H]([NH3+])C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000567785048 505562770 /nfs/dbraw/zinc/56/27/70/505562770.db2.gz UGLOSITYPGAVNE-FQEVSTJZSA-N 2 0 369.534 3.225 20 0 FGADRP COC(=O)c1cc2c(o1)c(OC)ccc2C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000564973356 505564758 /nfs/dbraw/zinc/56/47/58/505564758.db2.gz BPVLAONPIJOLPP-HNNXBMFYSA-N 2 0 372.465 3.050 20 0 FGADRP Oc1ccc2c(c1)[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)CCC2 ZINC000582860927 506458622 /nfs/dbraw/zinc/45/86/22/506458622.db2.gz NCSATCJNKBHPBR-IFMALSPDSA-N 2 0 352.478 3.126 20 0 FGADRP COC(=O)c1ccc(C[NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)cc1 ZINC000589193449 506477507 /nfs/dbraw/zinc/47/75/07/506477507.db2.gz GTPDJDUZQPCDLE-UHFFFAOYSA-N 2 0 368.477 3.238 20 0 FGADRP CC[C@H](C)[N@H+](C)CCNC(=O)NC[C@@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC000589217234 506488051 /nfs/dbraw/zinc/48/80/51/506488051.db2.gz DTADQHCYEUZDIX-ICSRJNTNSA-N 2 0 360.546 3.161 20 0 FGADRP C[NH+](C)CCc1ccc(NC(=O)[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000582971950 506516746 /nfs/dbraw/zinc/51/67/46/506516746.db2.gz BAHOGGRIQBUWRZ-FQEVSTJZSA-N 2 0 351.494 3.251 20 0 FGADRP COC(=O)C1(C[NH2+]Cc2ccccc2N(C)C2CC[NH+](C)CC2)CCCC1 ZINC000612404531 506566765 /nfs/dbraw/zinc/56/67/65/506566765.db2.gz POJJBCYAQWXKLU-UHFFFAOYSA-N 2 0 373.541 3.040 20 0 FGADRP C[N@@H+]1CCN(CCC[NH2+]Cc2[nH]nc3ccccc32)[C@@H](c2ccccc2)C1 ZINC000589639579 506615859 /nfs/dbraw/zinc/61/58/59/506615859.db2.gz OGWDVXWEQYNOCD-JOCHJYFZSA-N 2 0 363.509 3.031 20 0 FGADRP C[C@H](CNC(=O)N1CC[C@H]([N@H+](C)Cc2ccccc2)C1)C[NH+]1CCCCC1 ZINC000608645612 506646168 /nfs/dbraw/zinc/64/61/68/506646168.db2.gz QAKDVLUUKLHNTL-CTNGQTDRSA-N 2 0 372.557 3.024 20 0 FGADRP C[N@H+](CCN1CCN(c2cc[nH+]c3ccccc32)CC1)Cc1ccccc1 ZINC000599884264 506696303 /nfs/dbraw/zinc/69/63/03/506696303.db2.gz CWKHCZBPQBOJDF-UHFFFAOYSA-N 2 0 360.505 3.489 20 0 FGADRP CC(C)(C)[C@H]([NH2+]CCC(=O)N1CC[NH2+]CC1)c1cccc(C(F)(F)F)c1 ZINC000583322981 506717221 /nfs/dbraw/zinc/71/72/21/506717221.db2.gz PYUNWBYDRRKOAH-QGZVFWFLSA-N 2 0 371.447 3.204 20 0 FGADRP C[C@H](CNC(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1)[NH+]1CCC(C)CC1 ZINC000604112288 506718297 /nfs/dbraw/zinc/71/82/97/506718297.db2.gz SMQCXFBCEHBARD-TZIWHRDSSA-N 2 0 372.557 3.071 20 0 FGADRP Cc1cccc(CN(CC[NH+](C)C)C(=O)N[C@@H](C)C[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000604179042 506739587 /nfs/dbraw/zinc/73/95/87/506739587.db2.gz ANHODMGKKUNDSL-UXHICEINSA-N 2 0 374.573 3.189 20 0 FGADRP CC[NH+](CC)C[C@@H](C)NC(=O)N[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000604183028 506740979 /nfs/dbraw/zinc/74/09/79/506740979.db2.gz ULRIXFXQKNVCST-QUCCMNQESA-N 2 0 360.546 3.243 20 0 FGADRP CCC(CC)[C@H](CNC(=O)N1CCC[N@@H+](C(C)C)CC1)[NH+]1CCCC1 ZINC000590154375 506751556 /nfs/dbraw/zinc/75/15/56/506751556.db2.gz FDIBJEKKMVHWME-IBGZPJMESA-N 2 0 352.567 3.013 20 0 FGADRP O=C(N[C@@H](C[NH+]1CCCCC1)c1ccccc1)N1CC[NH+](C2CCC2)CC1 ZINC000604206864 506751743 /nfs/dbraw/zinc/75/17/43/506751743.db2.gz WWTQYBWGYQOCRU-NRFANRHFSA-N 2 0 370.541 3.093 20 0 FGADRP C[N@H+](Cc1ccccc1CNC(=O)N[C@]1(C)CC[NH2+]C1)C1CCCCC1 ZINC000612873022 506793004 /nfs/dbraw/zinc/79/30/04/506793004.db2.gz NQIIMTSZCDMRSD-OAQYLSRUSA-N 2 0 358.530 3.002 20 0 FGADRP CC(C)[N@H+](C)CC1CC[NH+]([C@H]2CCCN(c3cccc(F)c3)C2=O)CC1 ZINC000604384546 506810322 /nfs/dbraw/zinc/81/03/22/506810322.db2.gz WAVXYRNTUPTCJF-FQEVSTJZSA-N 2 0 361.505 3.373 20 0 FGADRP Cc1ccc2[nH]c3c(c2c1)CCC[C@H]3[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000583657187 506898250 /nfs/dbraw/zinc/89/82/50/506898250.db2.gz CMJKPKNSCZOAJS-HXUWFJFHSA-N 2 0 354.542 3.469 20 0 FGADRP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)N[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000604656140 506902730 /nfs/dbraw/zinc/90/27/30/506902730.db2.gz CYIFTPMVNDXWJB-PZJWPPBQSA-N 2 0 372.557 3.197 20 0 FGADRP CC(C)[C@@H](CNC(=O)N1CC[C@H]([NH+]2CCCCC2)C1)[NH+]1CCC(C)CC1 ZINC000594089723 506934485 /nfs/dbraw/zinc/93/44/85/506934485.db2.gz SDMNEUKVKZIFBG-VQTJNVASSA-N 2 0 364.578 3.013 20 0 FGADRP C[N@H+](CCCNC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1)C1CCCCC1 ZINC000594288802 507064780 /nfs/dbraw/zinc/06/47/80/507064780.db2.gz VOXAWLXOIUFPFO-HXUWFJFHSA-N 2 0 364.578 3.301 20 0 FGADRP CCOC(=O)C1([C@H](C)[NH2+]Cc2ccnc(-c3ccccc3)c2)CC[NH2+]CC1 ZINC000600710574 507076798 /nfs/dbraw/zinc/07/67/98/507076798.db2.gz OTUKPPAYMJDEMQ-KRWDZBQOSA-N 2 0 367.493 3.160 20 0 FGADRP CC(C)(C[NH2+]C[C@@H](O)Cc1ccc(C(F)(F)F)cc1)C[NH+]1CCCC1 ZINC000584048846 507123184 /nfs/dbraw/zinc/12/31/84/507123184.db2.gz LKBJECHAZMPGMR-KRWDZBQOSA-N 2 0 358.448 3.320 20 0 FGADRP O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000605398537 507174086 /nfs/dbraw/zinc/17/40/86/507174086.db2.gz PTJYXTGHMPHPQV-QFIPXVFZSA-N 2 0 372.472 3.251 20 0 FGADRP C[C@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000605423061 507186529 /nfs/dbraw/zinc/18/65/29/507186529.db2.gz WLNKLQUTAWKQNA-HJMJHHSWSA-N 2 0 361.574 3.124 20 0 FGADRP C[C@@H]1C[C@H](NC(=O)NC[C@@H]2CCCC[NH+](Cc3ccccc3)C2)CC[N@@H+]1C ZINC000584323905 507278973 /nfs/dbraw/zinc/27/89/73/507278973.db2.gz NGKFZZBMEUXGDL-HLAWJBBLSA-N 2 0 372.557 3.071 20 0 FGADRP CC[NH+]1CCC(C[NH2+]Cc2ccc(OCc3ccncc3)c(OC)c2)CC1 ZINC000584367644 507305523 /nfs/dbraw/zinc/30/55/23/507305523.db2.gz ZWRJINJHZJWKOH-UHFFFAOYSA-N 2 0 369.509 3.491 20 0 FGADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000601346390 507341160 /nfs/dbraw/zinc/34/11/60/507341160.db2.gz DUHAZQNJPOGUPX-HXUWFJFHSA-N 2 0 364.578 3.158 20 0 FGADRP CC[C@@H]([NH2+]CC1CC[NH+](C2CCOCC2)CC1)c1ccc(C(=O)OC)cc1 ZINC000595048744 507367896 /nfs/dbraw/zinc/36/78/96/507367896.db2.gz MFWOHDZYWVZNFM-OAQYLSRUSA-N 2 0 374.525 3.405 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CC/C=C/c1ccccc1 ZINC000606360888 507374717 /nfs/dbraw/zinc/37/47/17/507374717.db2.gz YLSNMCIZYFPDNO-CDDKBXLESA-N 2 0 357.542 3.355 20 0 FGADRP CC(C)c1ccc(CCNC(=O)CN2CCC[C@H]([NH+]3CCCC3)CC2)cc1 ZINC000606447949 507408835 /nfs/dbraw/zinc/40/88/35/507408835.db2.gz WWTXSOZSHUVRHZ-QFIPXVFZSA-N 2 0 371.569 3.419 20 0 FGADRP c1cc2n(n1)C[C@H](C[NH2+]Cc1cccc(C[NH+]3CCCCCC3)c1)CN2 ZINC000595153873 507413039 /nfs/dbraw/zinc/41/30/39/507413039.db2.gz PSQLXLSBTCYIIM-HXUWFJFHSA-N 2 0 353.514 3.091 20 0 FGADRP Cc1cccc(OC[C@@H](O)C[NH2+]Cc2cccc(C[NH+]3CCCC3)c2)c1 ZINC000584585359 507426855 /nfs/dbraw/zinc/42/68/55/507426855.db2.gz AFWUDOOTPAKTNW-NRFANRHFSA-N 2 0 354.494 3.120 20 0 FGADRP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@H](C)[C@H]2c2ccc(C)cc2)CC1 ZINC000606540851 507439973 /nfs/dbraw/zinc/43/99/73/507439973.db2.gz NYWBUAAXUDWXQZ-AVRDEDQJSA-N 2 0 357.542 3.369 20 0 FGADRP C[N@H+](CCCNC(=O)N1CCC[NH+](C2CCCC2)CC1)C1CCCCC1 ZINC000606638520 507463550 /nfs/dbraw/zinc/46/35/50/507463550.db2.gz MZURVWXHPWZSJY-UHFFFAOYSA-N 2 0 364.578 3.301 20 0 FGADRP CC(C)[NH+]1CCN([C@H]2CC[N@H+](CCSc3ccc(F)cc3F)C2)CC1 ZINC000595337748 507463974 /nfs/dbraw/zinc/46/39/74/507463974.db2.gz KHAHNEPLHHNXFR-KRWDZBQOSA-N 2 0 369.525 3.157 20 0 FGADRP C[C@@H](NC(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000606660225 507471974 /nfs/dbraw/zinc/47/19/74/507471974.db2.gz YEPXZIVGPJFHGM-WIYYLYMNSA-N 2 0 372.557 3.071 20 0 FGADRP C[C@@H](NC(=O)N1CCC(C[NH+]2CCCCCC2)CC1)C1CC[NH+](C)CC1 ZINC000606700895 507486873 /nfs/dbraw/zinc/48/68/73/507486873.db2.gz RTSPHHIEFQCSLU-GOSISDBHSA-N 2 0 364.578 3.014 20 0 FGADRP C[C@@H]1CC[N@H+](C)CCN1C(=O)N[C@H]1CC[NH+](Cc2ccccc2)CC1(C)C ZINC000584852408 507542037 /nfs/dbraw/zinc/54/20/37/507542037.db2.gz DGEJRZYRKRGMGD-QUCCMNQESA-N 2 0 372.557 3.023 20 0 FGADRP Cc1ccc([C@@H](C[NH2+]Cc2ccc(OCC[NH+](C)C)cc2)N2CCCC2)o1 ZINC000585816658 507647123 /nfs/dbraw/zinc/64/71/23/507647123.db2.gz MUOQISGVYKDLGY-OAQYLSRUSA-N 2 0 371.525 3.455 20 0 FGADRP COC(=O)c1cc2cc(C[NH+]3CCC([C@H]4CCC[NH2+]C4)CC3)ccc2o1 ZINC000595900153 507733893 /nfs/dbraw/zinc/73/38/93/507733893.db2.gz AAEKPQSRNVMBMU-KRWDZBQOSA-N 2 0 356.466 3.431 20 0 FGADRP COc1ccccc1-c1ncc(C[N@@H+]2CC[C@H](C)[C@H](n3ccnc3)C2)cn1 ZINC000644833522 567884312 /nfs/dbraw/zinc/88/43/12/567884312.db2.gz VPRHHTZSOLKEDE-QFBILLFUSA-N 2 0 363.465 3.432 20 0 FGADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)NC[C@@H]2CCCC[NH2+]2)cc1 ZINC000669117844 568042686 /nfs/dbraw/zinc/04/26/86/568042686.db2.gz ULORBMAMQCJHLM-PXNSSMCTSA-N 2 0 358.530 3.002 20 0 FGADRP CCC1([NH+](C)C)CCN(C(=O)N[C@H](C)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000637137966 568439399 /nfs/dbraw/zinc/43/93/99/568439399.db2.gz WALYTUBBZJAJIB-MJGOQNOKSA-N 2 0 360.546 3.194 20 0 FGADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)[C@H](C)C1 ZINC000081095937 700329363 /nfs/dbraw/zinc/32/93/63/700329363.db2.gz HMENNNJJZLMANN-SQNIBIBYSA-N 2 0 353.551 3.296 20 0 FGADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)CC(=O)Nc2ccccc2C(F)(F)F)C1 ZINC000120798673 700660150 /nfs/dbraw/zinc/66/01/50/700660150.db2.gz HUTLIRYEDRDRPH-KBPBESRZSA-N 2 0 357.420 3.354 20 0 FGADRP COc1cc([C@@H](C)[NH2+]C[C@H](C)N2CC[NH+](C)CC2)ccc1SC(F)F ZINC000127760153 700766071 /nfs/dbraw/zinc/76/60/71/700766071.db2.gz AGUVSARBWLWQFJ-UONOGXRCSA-N 2 0 373.513 3.296 20 0 FGADRP CC[NH+](CC)Cc1cccc(CNC(=O)[C@H]([NH3+])c2cccc(Cl)c2)c1 ZINC000164747089 705332034 /nfs/dbraw/zinc/33/20/34/705332034.db2.gz OBQZZFDODFORKD-LJQANCHMSA-N 2 0 359.901 3.498 20 0 FGADRP C[NH+]1CCC(CC[NH2+][C@H]2CCCC[C@@H]2CNC(=O)OC(C)(C)C)CC1 ZINC000180455337 705740867 /nfs/dbraw/zinc/74/08/67/705740867.db2.gz XKGYQINFNWHKSH-MSOLQXFVSA-N 2 0 353.551 3.391 20 0 FGADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H](C)c1ccc(Br)cc1O ZINC000185671427 712699501 /nfs/dbraw/zinc/69/95/01/712699501.db2.gz KLBZQWPYANTPRT-GXTWGEPZSA-N 2 0 359.308 3.162 20 0 FGADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+]C[C@@]2(C)CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000248665518 713655855 /nfs/dbraw/zinc/65/58/55/713655855.db2.gz MFQBKHOAIGVYSE-YLJYHZDGSA-N 2 0 353.551 3.344 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)C[C@@H]1CCC[C@H]1[NH3+])c1ccccc1Cl ZINC000261759158 713713848 /nfs/dbraw/zinc/71/38/48/713713848.db2.gz NJVHAKYFELNOLS-BMGDILEWSA-N 2 0 351.922 3.357 20 0 FGADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)CC(=O)Nc2ccccc2C(F)(F)F)C1 ZINC000261786941 713714278 /nfs/dbraw/zinc/71/42/78/713714278.db2.gz HUTLIRYEDRDRPH-KGLIPLIRSA-N 2 0 357.420 3.354 20 0 FGADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](CCC(=O)Nc3cc(Cl)ccc3Cl)C[C@H]21 ZINC000261897182 713715773 /nfs/dbraw/zinc/71/57/73/713715773.db2.gz OKOROYYWISMVAE-NJZAAPMLSA-N 2 0 356.297 3.381 20 0 FGADRP C[NH+]1CCN(C(C)(C)C[NH2+][C@@H]2CCc3sc(Br)cc32)CC1 ZINC000315377863 713806620 /nfs/dbraw/zinc/80/66/20/713806620.db2.gz RMEGKEKYFQZYGL-CYBMUJFWSA-N 2 0 372.376 3.114 20 0 FGADRP C[C@@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)c1ccc(F)c(Br)c1 ZINC000315470082 713806677 /nfs/dbraw/zinc/80/66/77/713806677.db2.gz JRGZABKUFXMRBQ-CYBMUJFWSA-N 2 0 372.326 3.265 20 0 FGADRP C[C@@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)c1ccc(OC(F)(F)F)cc1 ZINC000326794875 713820494 /nfs/dbraw/zinc/82/04/94/713820494.db2.gz YGHROJZNIJLWMR-CQSZACIVSA-N 2 0 359.436 3.262 20 0 FGADRP C[NH+]1CCN(C(C)(C)C[NH2+][C@H]2CCc3ccc(Br)cc32)CC1 ZINC000390234503 713988758 /nfs/dbraw/zinc/98/87/58/713988758.db2.gz QECDUMUOTRXXID-KRWDZBQOSA-N 2 0 366.347 3.052 20 0 FGADRP [NH3+][C@@H]1CCC[C@H](NC(=O)NC[C@H](c2cccc(Cl)c2)[NH+]2CCCC2)C1 ZINC000416989284 714008380 /nfs/dbraw/zinc/00/83/80/714008380.db2.gz DGVBLXKSPZHBLL-FGTMMUONSA-N 2 0 364.921 3.046 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccc(C(C)C)s1 ZINC000521851901 714152115 /nfs/dbraw/zinc/15/21/15/714152115.db2.gz QAHVNXKXBGCVHV-MRXNPFEDSA-N 2 0 351.560 3.360 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1sc(C(C)C)nc1C ZINC000523094812 714218146 /nfs/dbraw/zinc/21/81/46/714218146.db2.gz HTJRFYWWOPUQEB-MRXNPFEDSA-N 2 0 366.575 3.063 20 0 FGADRP CC(C)[N@H+](C)CC1CC[NH+](CC(=O)NCCc2ccc(Cl)cc2)CC1 ZINC000524156220 714270643 /nfs/dbraw/zinc/27/06/43/714270643.db2.gz VVCRVQRKVROPRL-UHFFFAOYSA-N 2 0 365.949 3.051 20 0 FGADRP Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC000525484660 714356263 /nfs/dbraw/zinc/35/62/63/714356263.db2.gz IYNFOKIQMVYKQL-CALCHBBNSA-N 2 0 361.555 3.355 20 0 FGADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+]C[C@@H](O)Cc2ccccc2C(F)(F)F)C1 ZINC000572992402 714448930 /nfs/dbraw/zinc/44/89/30/714448930.db2.gz JFGRTNDOSXVUNS-WBVHZDCISA-N 2 0 358.448 3.319 20 0 FGADRP C[C@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+][C@H](C)[C@H]1CCC[NH2+]C1 ZINC000579931719 714500867 /nfs/dbraw/zinc/50/08/67/714500867.db2.gz MTGCQZGSWIQRSP-MCIONIFRSA-N 2 0 357.420 3.400 20 0 FGADRP O=C(CC[C@H]1CCC[NH2+]C1)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000621641858 715013875 /nfs/dbraw/zinc/01/38/75/715013875.db2.gz YVHFREHKTWMFPY-APWZRJJASA-N 2 0 363.933 3.373 20 0 FGADRP [NH3+]C[C@@H]1CC[C@H]([NH2+][C@@H](c2ccc(Br)cc2)[C@@H]2CCCO2)C1 ZINC000643542702 718038614 /nfs/dbraw/zinc/03/86/14/718038614.db2.gz DJMLNRCCNRQTBT-ZCPGHIKRSA-N 2 0 353.304 3.386 20 0 FGADRP [NH3+]C[C@@H]1CC[C@H]([NH2+][C@H](c2ccc(Br)cc2)[C@@H]2CCCO2)C1 ZINC000643542700 718038861 /nfs/dbraw/zinc/03/88/61/718038861.db2.gz DJMLNRCCNRQTBT-ISWURRPUSA-N 2 0 353.304 3.386 20 0 FGADRP C[N@@H+]1CC[C@H]([NH2+]C[C@@H](CO)Cc2ccccc2C(F)(F)F)CC1(C)C ZINC000623454675 715340023 /nfs/dbraw/zinc/34/00/23/715340023.db2.gz NQSHXOCMDBTSSN-HOCLYGCPSA-N 2 0 358.448 3.319 20 0 FGADRP Brc1sccc1C[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000623562440 715361458 /nfs/dbraw/zinc/36/14/58/715361458.db2.gz RSRUETRBLKYZHP-UHFFFAOYSA-N 2 0 373.360 3.491 20 0 FGADRP FC(F)CN1CCC[C@H]1C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000623625570 715374191 /nfs/dbraw/zinc/37/41/91/715374191.db2.gz WBXWUNAGEVCBAU-IBGZPJMESA-N 2 0 351.485 3.013 20 0 FGADRP C[C@H](C[NH2+][C@@H](C)c1ccc(F)cc1C(F)(F)F)CN1CC[NH+](C)CC1 ZINC000623886618 715424011 /nfs/dbraw/zinc/42/40/11/715424011.db2.gz HBPDZZYWMLRDMH-KGLIPLIRSA-N 2 0 361.427 3.379 20 0 FGADRP CN(CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21)CC(F)F ZINC000624329107 715512652 /nfs/dbraw/zinc/51/26/52/715512652.db2.gz MGJZRLZMDRNZES-IPMKNSEASA-N 2 0 351.485 3.216 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1oc(C(F)F)cc1C ZINC000625022761 715643941 /nfs/dbraw/zinc/64/39/41/715643941.db2.gz BMBBFSXLXGZJDW-AWEZNQCLSA-N 2 0 357.445 3.014 20 0 FGADRP CC(C)[C@H]1C[C@H]([NH2+]Cc2c(Cl)cccc2N2CC[NH+](C)CC2)CCO1 ZINC000628231903 716127507 /nfs/dbraw/zinc/12/75/07/716127507.db2.gz FYMJNWGULAFJPN-OXQOHEQNSA-N 2 0 365.949 3.385 20 0 FGADRP C[C@H]([NH2+]CCOCCC[NH3+])c1ccc(Br)cc1C(F)(F)F ZINC000629540485 716304214 /nfs/dbraw/zinc/30/42/14/716304214.db2.gz VBXBYZIZZJZRPU-JTQLQIEISA-N 2 0 369.225 3.484 20 0 FGADRP C[NH2+]CCOCC[N@H+](C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000629571999 716311169 /nfs/dbraw/zinc/31/11/69/716311169.db2.gz LQUYKSSCHOIDRB-UHFFFAOYSA-N 2 0 358.326 3.392 20 0 FGADRP CC(C)(C)n1cc(C[NH2+]CCOCCC[NH3+])c(-c2ccccc2Cl)n1 ZINC000629678867 716334879 /nfs/dbraw/zinc/33/48/79/716334879.db2.gz MJQVJNVJUJBPFM-UHFFFAOYSA-N 2 0 364.921 3.414 20 0 FGADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1cccc(Br)c1Cl ZINC000631114055 716568233 /nfs/dbraw/zinc/56/82/33/716568233.db2.gz PPBCOMJWIPQMPC-CYBMUJFWSA-N 2 0 374.754 3.218 20 0 FGADRP OCC[C@H]([NH2+]C1CCN(C[C@@H]2CCCO2)CC1)c1ccc(Cl)c(F)c1 ZINC000631663434 716655749 /nfs/dbraw/zinc/65/57/49/716655749.db2.gz XXGFVRYEDQYWGA-LPHOPBHVSA-N 2 0 370.896 3.136 20 0 FGADRP CCC1([NH+](C)C)CCN(C(=O)NCCCC[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000632898110 716838325 /nfs/dbraw/zinc/83/83/25/716838325.db2.gz IFVIVCBFQYSYIN-SFHVURJKSA-N 2 0 352.567 3.014 20 0 FGADRP Cc1ccc(S(=O)(=O)[C@H]2CCCC[C@@H]2[NH2+][C@H]2CC[C@H](C[NH3+])CC2)cc1 ZINC000635006503 717139680 /nfs/dbraw/zinc/13/96/80/717139680.db2.gz RPBYUGATAKHZLA-ZULIPRJHSA-N 2 0 364.555 3.187 20 0 FGADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)C[C@H](n2ccnc2)C(F)(F)F)C1 ZINC000635324976 717161684 /nfs/dbraw/zinc/16/16/84/717161684.db2.gz KQQSKGKDAFZLBU-CABCVRRESA-N 2 0 360.424 3.005 20 0 FGADRP C[N@@H+]1CC[C@@H](CC(=O)NCC2CC[NH+](Cc3ccccc3Cl)CC2)C1 ZINC000635533506 717176529 /nfs/dbraw/zinc/17/65/29/717176529.db2.gz RZEHGWKVBQRLDO-KRWDZBQOSA-N 2 0 363.933 3.010 20 0 FGADRP C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CC[NH+]2C2CCCC2)[C@@H]1c1cccs1 ZINC000635602757 717181148 /nfs/dbraw/zinc/18/11/48/717181148.db2.gz JGCFTSQXWJPAAA-SZVBFZGTSA-N 2 0 361.555 3.264 20 0 FGADRP C[NH+](C)C[C@@H](NC(=O)c1ccc(C[NH3+])o1)c1ccc(Cl)c(Cl)c1 ZINC000638662611 717473272 /nfs/dbraw/zinc/47/32/72/717473272.db2.gz AWSNSQAAWNTSIT-CQSZACIVSA-N 2 0 356.253 3.078 20 0 FGADRP C[NH+](C)C[C@H](NC(=O)[C@@H]1CCC[NH2+]CC1)c1ccc(Cl)c(Cl)c1 ZINC000638665057 717474171 /nfs/dbraw/zinc/47/41/71/717474171.db2.gz ZDCOJICGAVJROP-WBMJQRKESA-N 2 0 358.313 3.102 20 0 FGADRP Cc1c(Br)cccc1C[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000639312581 717543230 /nfs/dbraw/zinc/54/32/30/717543230.db2.gz KGTBDOVREUSTPR-UHFFFAOYSA-N 2 0 355.320 3.082 20 0 FGADRP CCCN(C(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)C)[C@@H]1CC[N@H+](C)C1 ZINC000645339366 718203665 /nfs/dbraw/zinc/20/36/65/718203665.db2.gz PXBTYXYDUACRNY-QZTJIDSGSA-N 2 0 366.937 3.068 20 0 FGADRP Oc1cccc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c1Br ZINC000647544567 718366957 /nfs/dbraw/zinc/36/69/57/718366957.db2.gz YCILSTTUMYXVGT-UONOGXRCSA-N 2 0 353.304 3.366 20 0 FGADRP Brc1ccc(N2CC[C@H]([NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@@H]4C3)C2)cc1 ZINC000647784223 718377764 /nfs/dbraw/zinc/37/77/64/718377764.db2.gz MQISYBOMHIQMOH-DIECFANBSA-N 2 0 364.331 3.006 20 0 FGADRP COc1ccc(Br)cc1C1([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000647801518 718378506 /nfs/dbraw/zinc/37/85/06/718378506.db2.gz WZHNRJISQJMXNW-KCQAQPDRSA-N 2 0 365.315 3.425 20 0 FGADRP Fc1cc(Br)cc(OCC[N@H+](C2CC2)C2CC[NH2+]CC2)c1 ZINC000647815330 718379269 /nfs/dbraw/zinc/37/92/69/718379269.db2.gz ZSLYIIMGCNAJHH-UHFFFAOYSA-N 2 0 357.267 3.183 20 0 FGADRP C[C@H](Cc1ccccc1Br)[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000647909491 718386415 /nfs/dbraw/zinc/38/64/15/718386415.db2.gz RFUAGENTDSKMEF-CQSZACIVSA-N 2 0 369.347 3.205 20 0 FGADRP O=C(CC[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1)NCc1ccccc1Cl ZINC000647975619 718390992 /nfs/dbraw/zinc/39/09/92/718390992.db2.gz CRDKZPAQGMDIOB-WMZOPIPTSA-N 2 0 363.933 3.058 20 0 FGADRP Clc1ccc(-n2cc(C[N@@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]C4)C3)nn2)cc1 ZINC000647978646 718391649 /nfs/dbraw/zinc/39/16/49/718391649.db2.gz WHAMQBLPHLKSSP-HZPDHXFCSA-N 2 0 359.905 3.132 20 0 FGADRP O=C(CC[C@@H]1CCC[NH2+]1)N(CC[NH+]1CCCC1)Cc1ccc(Cl)cc1 ZINC000648153083 718401561 /nfs/dbraw/zinc/40/15/61/718401561.db2.gz FBYLOTGYMXMZNU-IBGZPJMESA-N 2 0 363.933 3.297 20 0 FGADRP C[C@H]1C[NH+](CCCC[NH2+]Cc2cc3cc(Cl)cnc3o2)C[C@H](C)O1 ZINC000648437168 718426765 /nfs/dbraw/zinc/42/67/65/718426765.db2.gz QZDTVKRGPBSIAJ-KBPBESRZSA-N 2 0 351.878 3.460 20 0 FGADRP CC[NH+](CC)Cc1ccc(CNC(=O)[C@@H]([NH3+])c2cccc(Cl)c2)cc1 ZINC000649281642 718500591 /nfs/dbraw/zinc/50/05/91/718500591.db2.gz YMOHRDDUYLZUKV-IBGZPJMESA-N 2 0 359.901 3.498 20 0 FGADRP C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@@H]3C[NH2+]CCC3(F)F)cc2)C1 ZINC000649288211 718501421 /nfs/dbraw/zinc/50/14/21/718501421.db2.gz CZHSPBRXZWOHIW-YOEHRIQHSA-N 2 0 351.441 3.102 20 0 FGADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@H+](Cc3cc(Br)ccc3F)C2)C1 ZINC000650705822 718717154 /nfs/dbraw/zinc/71/71/54/718717154.db2.gz XIOZUIBIYSHPCV-SRCQZFHVSA-N 2 0 371.294 3.307 20 0 FGADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@@H+]2Cc2ccc(Br)s2)C1 ZINC000650721885 718720233 /nfs/dbraw/zinc/72/02/33/718720233.db2.gz FAHYUVNGDQGMHY-MRVWCRGKSA-N 2 0 359.333 3.371 20 0 FGADRP CSc1ccc(OCC[N@@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)cc1 ZINC000652362552 718936837 /nfs/dbraw/zinc/93/68/37/718936837.db2.gz JOGASRKTJDCWPR-KFKAGJAMSA-N 2 0 350.528 3.148 20 0 FGADRP C[C@H](C[NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000655803145 719342161 /nfs/dbraw/zinc/34/21/61/719342161.db2.gz WKGDIFIUIVZSAA-BKZNIZDZSA-N 2 0 351.579 3.117 20 0 FGADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2cc(Br)ccc2OC(F)F)C1 ZINC000655826679 719344869 /nfs/dbraw/zinc/34/48/69/719344869.db2.gz XIVGCNKIACQYMC-GSJFWJNXSA-N 2 0 363.246 3.480 20 0 FGADRP Oc1cccc(C[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)c1Br ZINC000656784305 719470015 /nfs/dbraw/zinc/47/00/15/719470015.db2.gz ADLCDGVHLWQDJR-CQSZACIVSA-N 2 0 353.304 3.366 20 0 FGADRP c1csc(-c2n[nH]cc2C[NH2+]CC2CC[NH+](C3CCOCC3)CC2)c1 ZINC000657536948 719668001 /nfs/dbraw/zinc/66/80/01/719668001.db2.gz VDHAYLSCXDLJST-UHFFFAOYSA-N 2 0 360.527 3.119 20 0 FGADRP CC(C)(C)c1nc(C[NH2+]CC2CC[NH+](C3CCOCC3)CC2)cs1 ZINC000657535613 719668162 /nfs/dbraw/zinc/66/81/62/719668162.db2.gz PZIZGKYQFKWUFN-UHFFFAOYSA-N 2 0 351.560 3.421 20 0 FGADRP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+]Cc1cnc(-c2cccs2)s1 ZINC000657572671 719677287 /nfs/dbraw/zinc/67/72/87/719677287.db2.gz BEVWPXKARAFLIE-AWEZNQCLSA-N 2 0 352.573 3.233 20 0 FGADRP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@@H](C)c1cc(Br)cs1 ZINC000658105689 719757061 /nfs/dbraw/zinc/75/70/61/719757061.db2.gz CNKBFWVIQQPJQT-STQMWFEESA-N 2 0 362.381 3.433 20 0 FGADRP COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1cc3[nH]ccc3c(C)[nH+]1)C2 ZINC001164817218 720155342 /nfs/dbraw/zinc/15/53/42/720155342.db2.gz PAEAJMVHIZPUDA-LAUBAEHRSA-N 2 0 354.498 3.056 20 0 FGADRP Brc1ccc([C@@H]2CCC[N@@H+]2C[C@H]2CCC3(C[NH2+]C3)O2)cc1 ZINC000662252790 720405311 /nfs/dbraw/zinc/40/53/11/720405311.db2.gz OXAOOBKRKAATGA-CVEARBPZSA-N 2 0 351.288 3.107 20 0 FGADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@H+](Cc3cc(F)ccc3OC(F)F)C2)C1 ZINC000662286864 720409908 /nfs/dbraw/zinc/40/99/08/720409908.db2.gz STDNGKOQSSZBKY-VMGRFDJRSA-N 2 0 358.404 3.145 20 0 FGADRP O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)c1cc2c(s1)CC[NH2+]C2 ZINC000662348980 720417828 /nfs/dbraw/zinc/41/78/28/720417828.db2.gz VYJQVYPDFXCIMW-CQSZACIVSA-N 2 0 361.536 3.022 20 0 FGADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]CC1(Cc2ccc(Br)cc2)CC1 ZINC000665264714 720748612 /nfs/dbraw/zinc/74/86/12/720748612.db2.gz GRIFFTFOICQBSM-XKQJLSEDSA-N 2 0 367.331 3.114 20 0 FGADRP CN(CCC[NH+](C)C)CCNC(=O)Nc1cc(C(F)F)ccc1Cl ZINC000666392181 720927619 /nfs/dbraw/zinc/92/76/19/720927619.db2.gz ADZRGKHXXYUUNF-UHFFFAOYSA-N 2 0 362.852 3.283 20 0 FGADRP O=C(NCCC[NH2+]C1CCCCC1)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000666668458 720960151 /nfs/dbraw/zinc/96/01/51/720960151.db2.gz AATIBHRLLFYYNX-GOSISDBHSA-N 2 0 350.551 3.005 20 0 FGADRP C[N@H+](C[C@H](O)COc1ccc(Cl)c(Cl)c1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000671724756 721611586 /nfs/dbraw/zinc/61/15/86/721611586.db2.gz NXPZTPYCMUNQFK-IXXDHKBRSA-N 2 0 373.324 3.290 20 0 FGADRP Cc1ccc(OC(F)F)c([C@H](C)[NH2+]CC(C)(C)N2CC[NH+](C)CC2)c1 ZINC000675742720 721771829 /nfs/dbraw/zinc/77/18/29/721771829.db2.gz VVHGYHXWLSQSNP-HNNXBMFYSA-N 2 0 355.473 3.273 20 0 FGADRP OC[C@H](C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)Cc1ccc(C(F)(F)F)cc1 ZINC000678600160 721966682 /nfs/dbraw/zinc/96/66/82/721966682.db2.gz JMUJUELSLKRDHJ-CGTJXYLNSA-N 2 0 356.432 3.073 20 0 FGADRP CN(C)c1cccc(N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)[nH+]1 ZINC001164954151 722013316 /nfs/dbraw/zinc/01/33/16/722013316.db2.gz JHLLJZVAQIDJBX-UHFFFAOYSA-N 2 0 351.498 3.035 20 0 FGADRP C[NH+](C)[C@H]1CCC[C@H]([NH2+]CCC2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000715563868 722415914 /nfs/dbraw/zinc/41/59/14/722415914.db2.gz YIOBOJVMGIKLFX-ROUUACIJSA-N 2 0 353.551 3.486 20 0 FGADRP C[NH+](C)C1CCC([NH2+]C2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)CC1 ZINC000715572295 722415947 /nfs/dbraw/zinc/41/59/47/722415947.db2.gz RKDXJIPSKYSPHR-CSRJKQTDSA-N 2 0 351.535 3.379 20 0 FGADRP CC(C)[NH+]1CCC([N@H+](C)C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000729267973 722458553 /nfs/dbraw/zinc/45/85/53/722458553.db2.gz CSMSPDFYVSVZML-KRWDZBQOSA-N 2 0 353.551 3.438 20 0 FGADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC[C@@H](C)[NH+]2CCCCC2)C1 ZINC000732448580 722484926 /nfs/dbraw/zinc/48/49/26/722484926.db2.gz GUHMTNYLRSQEHF-QZTJIDSGSA-N 2 0 352.567 3.061 20 0 FGADRP C[C@H](OC[C@@H](O)C[N@H+](C)C[C@@H]1CCC[NH+](C)C1)c1ccc(Cl)cc1 ZINC000741385400 722545325 /nfs/dbraw/zinc/54/53/25/722545325.db2.gz FTDWORQIJDDYIO-FCEWJHQRSA-N 2 0 354.922 3.052 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)/C=C/c1ccc(Cl)cc1 ZINC000750734482 722779366 /nfs/dbraw/zinc/77/93/66/722779366.db2.gz GQBWAQUJZBUKQB-VSRDTVRMSA-N 2 0 363.933 3.228 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=S)Nc1ccc(F)cc1F ZINC000751009173 722790198 /nfs/dbraw/zinc/79/01/98/722790198.db2.gz BVEKRZUYAYEMHN-HNNXBMFYSA-N 2 0 370.513 3.010 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=S)Nc1ccc(C)c(C)c1 ZINC000751011944 722790528 /nfs/dbraw/zinc/79/05/28/722790528.db2.gz QLPARPXXDDSCRY-LJQANCHMSA-N 2 0 362.587 3.348 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=S)Nc1ccccc1Cl ZINC000751011280 722790615 /nfs/dbraw/zinc/79/06/15/722790615.db2.gz NOKOXENGNCKSCU-OAHLLOKOSA-N 2 0 368.978 3.385 20 0 FGADRP CC[NH+](CC)CCC[N@@H+]1C[C@@H]2CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H]2C1 ZINC000755047066 722949696 /nfs/dbraw/zinc/94/96/96/722949696.db2.gz DRQDVXXRERREQB-RCCFBDPRSA-N 2 0 353.551 3.344 20 0 FGADRP CCOC(=O)C(F)(F)[C@H]1CCC[C@H]([NH2+]CC(C)(C)C[NH+]2CCCC2)C1 ZINC000790749131 723173414 /nfs/dbraw/zinc/17/34/14/723173414.db2.gz CXWSHUWLCUXDLD-HOTGVXAUSA-N 2 0 360.489 3.455 20 0 FGADRP CC(C)[C@](C)([NH2+]C[C@H](O)C[NH+]1CCCC1)c1ccc(Br)cc1 ZINC000792342123 723330731 /nfs/dbraw/zinc/33/07/31/723330731.db2.gz DXOYZKWFTBFYJZ-ROUUACIJSA-N 2 0 369.347 3.367 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)C[C@H](O)c2cccs2)[C@@H](C)C1 ZINC000763412001 723341540 /nfs/dbraw/zinc/34/15/40/723341540.db2.gz CMZMTCQOMDMVAM-MHORFTMASA-N 2 0 354.560 3.287 20 0 FGADRP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCCCN2C(=O)OC(C)(C)C)[C@H]2CCC[C@@H]21 ZINC000796707470 723651226 /nfs/dbraw/zinc/65/12/26/723651226.db2.gz OBEIZURVAFQGOC-MHORFTMASA-N 2 0 351.535 3.238 20 0 FGADRP CC[NH+](CC)CCO[C@@H]1CCN(Cn2nc(Cl)c3ccccc32)C1 ZINC000769646985 723691330 /nfs/dbraw/zinc/69/13/30/723691330.db2.gz DWUPIJNOKDZGSO-OAHLLOKOSA-N 2 0 350.894 3.080 20 0 FGADRP Cc1cc(C[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H]2CO)cc(Cl)n1 ZINC000797601534 723839977 /nfs/dbraw/zinc/83/99/77/723839977.db2.gz VLLQWPZHIUEUFM-IBGZPJMESA-N 2 0 359.901 3.290 20 0 FGADRP COc1ccc(NC(=O)C[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)cc1Cl ZINC000799177304 723995514 /nfs/dbraw/zinc/99/55/14/723995514.db2.gz QATJVSGGOWHJEP-UHFFFAOYSA-N 2 0 365.905 3.095 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+][C@@H]2CCC[C@H]2NC(=O)OC(C)(C)C)C1 ZINC000775621014 724011767 /nfs/dbraw/zinc/01/17/67/724011767.db2.gz GXHMXTGEHRMGDC-XMTFNYHQSA-N 2 0 353.551 3.390 20 0 FGADRP CCO[C@H]1C[C@H]([NH2+]C2CCN(C3CC[NH+](C)CC3)CC2)C1(CC)CC ZINC000776159266 724114701 /nfs/dbraw/zinc/11/47/01/724114701.db2.gz IUIQSJAAXACOLG-PMACEKPBSA-N 2 0 351.579 3.118 20 0 FGADRP CS[C@@H]1CC[C@@H]([NH2+]Cc2c(Cl)cccc2N2CC[NH+](C)CC2)C1 ZINC000776700238 724172178 /nfs/dbraw/zinc/17/21/78/724172178.db2.gz LDQWUDLOILHJLA-HUUCEWRRSA-N 2 0 353.963 3.466 20 0 FGADRP C[N@@H+](Cc1cnc(NC(=O)OC(C)(C)C)s1)CC1CC[NH+](C)CC1 ZINC000800508899 724205609 /nfs/dbraw/zinc/20/56/09/724205609.db2.gz GFFWQNDRXBTJIL-UHFFFAOYSA-N 2 0 354.520 3.264 20 0 FGADRP CC[N@@H+]1CCC[C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)C1 ZINC000778082656 724294630 /nfs/dbraw/zinc/29/46/30/724294630.db2.gz TVXPCDHSYTWEGN-OOKSDGMUSA-N 2 0 351.535 3.238 20 0 FGADRP CSC1(C[NH2+]CC2CCN(C(=O)OC(C)(C)C)CC2)CC[NH+](C)CC1 ZINC000810169968 725294344 /nfs/dbraw/zinc/29/43/44/725294344.db2.gz CUUQILWDGVFTRM-UHFFFAOYSA-N 2 0 371.591 3.051 20 0 FGADRP CSC1(C[NH2+][C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2C)CC[NH+](C)CC1 ZINC000810253377 725300186 /nfs/dbraw/zinc/30/01/86/725300186.db2.gz SJPCSUMTQYPDNO-JKSUJKDBSA-N 2 0 371.591 3.049 20 0 FGADRP CC(C)(C)C[NH2+]C1CCC([NH+]2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000812802472 726813558 /nfs/dbraw/zinc/81/35/58/726813558.db2.gz OENGOPXMKXIZJJ-UHFFFAOYSA-N 2 0 353.551 3.486 20 0 FGADRP C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1[NH2+]CCCCC[NH+]1CCCC1 ZINC000815646815 727088335 /nfs/dbraw/zinc/08/83/35/727088335.db2.gz SYHYBDNAHNDNPR-QZTJIDSGSA-N 2 0 353.551 3.488 20 0 FGADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+]C[C@H](O)c2ccc(OC(F)(F)F)cc2)C1 ZINC000818985702 727334490 /nfs/dbraw/zinc/33/44/90/727334490.db2.gz VDBUDTRUPLHIQU-PBHICJAKSA-N 2 0 360.420 3.329 20 0 FGADRP CC[NH+]1CCC(CC[NH2+]C[C@@H](O)c2cccc(Br)c2)CC1 ZINC000819107173 727348362 /nfs/dbraw/zinc/34/83/62/727348362.db2.gz VHDVCQQQZPRCCJ-QGZVFWFLSA-N 2 0 355.320 3.194 20 0 FGADRP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]C[C@@H](O)c2ccc(F)c(Br)c2)C1 ZINC000819135447 727350977 /nfs/dbraw/zinc/35/09/77/727350977.db2.gz XDHIZFPEAHIDAS-XJKCOSOUSA-N 2 0 359.283 3.084 20 0 FGADRP C[NH+](C)CC1CCC([NH2+]C[C@H](O)c2ccc(F)c(Br)c2)CC1 ZINC000819186313 727355944 /nfs/dbraw/zinc/35/59/44/727355944.db2.gz XXUZMTGZCXZLKZ-AJUCZRQESA-N 2 0 373.310 3.332 20 0 FGADRP O[C@H](C[NH2+]CC1CCN(c2cc[nH+]cc2)CC1)c1ccc(F)cc1Cl ZINC000819205180 727358211 /nfs/dbraw/zinc/35/82/11/727358211.db2.gz FUHLFTYCHQBTPW-LJQANCHMSA-N 2 0 363.864 3.414 20 0 FGADRP C[C@@H]([NH2+]C[C@@](C)(O)c1ccc(Br)cc1F)C1=CC[N@H+](C)CC1 ZINC000819220383 727359334 /nfs/dbraw/zinc/35/93/34/727359334.db2.gz NKUYDHSQIXIJQN-SJKOYZFVSA-N 2 0 371.294 3.036 20 0 FGADRP O[C@@H](C[NH2+]CCCCC[NH+]1CCCC1)c1cccc(Br)c1 ZINC000819333242 727368059 /nfs/dbraw/zinc/36/80/59/727368059.db2.gz HLBHRYOYYKXZAM-KRWDZBQOSA-N 2 0 355.320 3.338 20 0 FGADRP C[C@H]1CC[C@@H]([NH2+]CC2CC[NH+](C3CC3)CC2)CN1C(=O)OC(C)(C)C ZINC000822476673 729179110 /nfs/dbraw/zinc/17/91/10/729179110.db2.gz SUSCDURHYGHILI-DOTOQJQBSA-N 2 0 351.535 3.238 20 0 FGADRP C[C@H](CC[NH2+]C[C@]12C[C@H]1CN(C(=O)OC(C)(C)C)C2)[NH+]1CCCCC1 ZINC000824153378 729321684 /nfs/dbraw/zinc/32/16/84/729321684.db2.gz JGDQOQWYTRYKTJ-UWVAXJGDSA-N 2 0 351.535 3.098 20 0 FGADRP CCOC(=O)N1CC[C@@H]([NH2+]C2CC[NH+](C(C)(C)CC(C)(C)C)CC2)C1 ZINC000824187062 729323226 /nfs/dbraw/zinc/32/32/26/729323226.db2.gz BPZASBHDQPKUGO-QGZVFWFLSA-N 2 0 353.551 3.486 20 0 FGADRP CC(C)[C@@H](CNC(=O)OC(C)(C)C)C[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000824320920 729330614 /nfs/dbraw/zinc/33/06/14/729330614.db2.gz MMCMNYAUOWJROC-WWDZGPRUSA-N 2 0 353.551 3.390 20 0 FGADRP CC[NH+](CC)CCCC1CC[NH+](Cc2ccc(-c3nn[nH]n3)s2)CC1 ZINC000825411932 729382275 /nfs/dbraw/zinc/38/22/75/729382275.db2.gz IGAIYRDYBYWRLB-UHFFFAOYSA-N 2 0 362.547 3.262 20 0 FGADRP Cc1cc([C@@H]([NH3+])CC(=O)NCCCC[N@H+]2CCC[C@@H](C)C2)cc(Cl)n1 ZINC000827104018 729424422 /nfs/dbraw/zinc/42/44/22/729424422.db2.gz UHWNERIQLPKQDS-PBHICJAKSA-N 2 0 366.937 3.062 20 0 FGADRP Cn1nc(C(F)(F)F)c(C[NH2+]CC2CC[NH+](CC3CC3)CC2)c1Cl ZINC000827843949 729435876 /nfs/dbraw/zinc/43/58/76/729435876.db2.gz HZDIBGWAHRUBPE-UHFFFAOYSA-N 2 0 364.843 3.304 20 0 FGADRP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)C[C@H]([NH3+])c1cc(C)nc(Cl)c1 ZINC000828049290 729439183 /nfs/dbraw/zinc/43/91/83/729439183.db2.gz QPIFBAHEGVMNIG-IRXDYDNUSA-N 2 0 366.937 3.204 20 0 FGADRP CC[NH+](CC)CCN(CC(C)C)C(=O)C[C@H]([NH3+])c1cc(C)nc(Cl)c1 ZINC000831412774 729640589 /nfs/dbraw/zinc/64/05/89/729640589.db2.gz XMXSREMFMJIFMH-KRWDZBQOSA-N 2 0 368.953 3.260 20 0 FGADRP CCOC(=O)C(F)(F)[C@H]1CCC[C@@H]([NH2+]Cc2ccc(CC[NH3+])cc2)C1 ZINC000841034351 730205180 /nfs/dbraw/zinc/20/51/80/730205180.db2.gz XIXJZIBKFDLFEO-DLBZAZTESA-N 2 0 354.441 3.035 20 0 FGADRP Cc1nn(Cc2ccccc2)c(Cl)c1CN1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000843058980 730575093 /nfs/dbraw/zinc/57/50/93/730575093.db2.gz BDKHQAJVCSKSJY-WDSOQIARSA-N 2 0 358.917 3.452 20 0 FGADRP [NH3+]C[C@H]1C[N@H+](Cc2ccc(SC(F)(F)F)cc2)CC12CCOCC2 ZINC000843124431 730588257 /nfs/dbraw/zinc/58/82/57/730588257.db2.gz AUHVCQRYQLTAOX-AWEZNQCLSA-N 2 0 360.445 3.486 20 0 FGADRP C[NH+](C)CCNC(=S)Nc1ccc(SCC[NH+]2CCCCC2)cc1 ZINC000843281443 730603793 /nfs/dbraw/zinc/60/37/93/730603793.db2.gz REQDZKULLQFXPJ-UHFFFAOYSA-N 2 0 366.600 3.113 20 0 FGADRP C[C@H]1C[C@@H]([NH2+]C2CC([NH+]3CCCCC3)C2)CN(C(=O)OC(C)(C)C)C1 ZINC000843407512 730616368 /nfs/dbraw/zinc/61/63/68/730616368.db2.gz SXEBRDZKIROILO-PBHCIXSXSA-N 2 0 351.535 3.238 20 0 FGADRP C[N@H+](Cc1csc(CC(=O)Nc2ccccc2)n1)C1CCC([NH3+])CC1 ZINC000844220533 730693142 /nfs/dbraw/zinc/69/31/42/730693142.db2.gz HDOCTCQZGGIRBT-UHFFFAOYSA-N 2 0 358.511 3.026 20 0 FGADRP CC(C)(C)c1nc(CN2CC[NH+](CCCCCCC[NH3+])CC2)cs1 ZINC000844221483 730693227 /nfs/dbraw/zinc/69/32/27/730693227.db2.gz FIWPQVJRPAUGCN-UHFFFAOYSA-N 2 0 352.592 3.467 20 0 FGADRP CC(C)(C)OC(=O)NCC1(CC[NH2+]C2CC[NH+](CC3CC3)CC2)CC1 ZINC000844706760 730755301 /nfs/dbraw/zinc/75/53/01/730755301.db2.gz CXWQPWUCNBQIDS-UHFFFAOYSA-N 2 0 351.535 3.145 20 0 FGADRP CCCCn1nc(C)c(C[N@@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)c1Cl ZINC000844901393 730787053 /nfs/dbraw/zinc/78/70/53/730787053.db2.gz DVTQDVFZYNJQAA-JZXOWHBKSA-N 2 0 368.953 3.363 20 0 FGADRP CC(C)(C)OC(=O)N1CC2(C1)CC[NH+](CCC[NH+]1CCCCC1)CC2 ZINC000847017424 731007275 /nfs/dbraw/zinc/00/72/75/731007275.db2.gz YYABSFLLFYMMMR-UHFFFAOYSA-N 2 0 351.535 3.195 20 0 FGADRP CN(C)c1nc(C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)c(Cl)n1-c1ccccc1 ZINC000848923456 731220945 /nfs/dbraw/zinc/22/09/45/731220945.db2.gz KHUWLEVDUNAXAM-FZNQNYSPSA-N 2 0 361.921 3.022 20 0 FGADRP CC(C)[C@@H](CNC(=[NH2+])NCc1cccc(C(F)(F)F)c1)[NH+]1CCCC1 ZINC000849090275 731227856 /nfs/dbraw/zinc/22/78/56/731227856.db2.gz ACBYLGSYFVPLQB-MRXNPFEDSA-N 2 0 356.436 3.440 20 0 FGADRP CC[NH+]1CCC(CCNC(=[NH2+])NCc2cccc(C(F)(F)F)c2)CC1 ZINC000849100790 731229247 /nfs/dbraw/zinc/22/92/47/731229247.db2.gz CZAZJXADXOWPBH-UHFFFAOYSA-N 2 0 356.436 3.441 20 0 FGADRP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@@H](C)c1cc(Cl)c(N)c(Cl)c1 ZINC000850501959 731365567 /nfs/dbraw/zinc/36/55/67/731365567.db2.gz QBWZUKPSSQFVBG-STQMWFEESA-N 2 0 361.361 3.498 20 0 FGADRP O=C(C=C1CC[NH2+]CC1)NC[C@@H](c1c(F)cccc1Cl)N1CCCC1 ZINC000852858918 731641291 /nfs/dbraw/zinc/64/12/91/731641291.db2.gz KZQRFHJWGKKWLK-KRWDZBQOSA-N 2 0 365.880 3.042 20 0 FGADRP Cc1cc(C[NH2+]CCCC[NH+]2CCN(C)CC2)c(Br)cc1F ZINC000858096524 732180054 /nfs/dbraw/zinc/18/00/54/732180054.db2.gz GKWFCMNKAKQHLW-UHFFFAOYSA-N 2 0 372.326 3.014 20 0 FGADRP C[N@H+](CCCC[NH2+]C[C@@H]1CC(F)(F)CN1C(=O)OC(C)(C)C)C1CC1 ZINC000862388970 732821929 /nfs/dbraw/zinc/82/19/29/732821929.db2.gz MZQGXRVIVJLIAG-HNNXBMFYSA-N 2 0 361.477 3.095 20 0 FGADRP C[C@@H]1C[C@@H](C[NH2+]C[C@@H]2CCCC[N@H+](C)C2)CCN1C(=O)OC(C)(C)C ZINC000862482247 732840212 /nfs/dbraw/zinc/84/02/12/732840212.db2.gz FVKKEYPLSYVKHJ-SQNIBIBYSA-N 2 0 353.551 3.344 20 0 FGADRP CC(C)[N@@H+]1CC[C@@H](C[NH2+]C[C@H](CC(F)(F)F)NC(=O)OC(C)(C)C)C1 ZINC000865436132 733201201 /nfs/dbraw/zinc/20/12/01/733201201.db2.gz UWKPLGWFYVZQEK-KBPBESRZSA-N 2 0 367.456 3.152 20 0 FGADRP C[NH+](C)C[C@@H]1CN(c2nc(-c3ccccc3F)cs2)C[C@H]1C[NH+](C)C ZINC000866012158 733300877 /nfs/dbraw/zinc/30/08/77/733300877.db2.gz RVVBFZAGINYXEQ-HUUCEWRRSA-N 2 0 362.518 3.125 20 0 FGADRP C[C@@H]([NH2+]CCCC[NH+]1CCN(C)CC1)c1cc2c(ccnc2Cl)o1 ZINC000866230737 733326752 /nfs/dbraw/zinc/32/67/52/733326752.db2.gz APQWSFQAQSQZDA-CQSZACIVSA-N 2 0 350.894 3.159 20 0 FGADRP CC(C)(C)OC(=O)N[C@H]1C[C@@H](C[NH2+]C2CC[NH+](C3CCCC3)CC2)C1 ZINC000866546994 733364341 /nfs/dbraw/zinc/36/43/41/733364341.db2.gz PNKSYVKNHMAARK-WOVMCDHWSA-N 2 0 351.535 3.286 20 0 FGADRP C[N@@H+]1CCN(C(=O)Nc2cc(C[NH3+])cc(C(F)(F)F)c2)CCC1(C)C ZINC000868168800 733567504 /nfs/dbraw/zinc/56/75/04/733567504.db2.gz ZZKHWMBNOZTRCQ-UHFFFAOYSA-N 2 0 358.408 3.112 20 0 FGADRP CCC(=O)c1c(Cl)cccc1N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000872621888 735653787 /nfs/dbraw/zinc/65/37/87/735653787.db2.gz LOBRDWGPQIHKLI-HUUCEWRRSA-N 2 0 351.922 3.108 20 0 FGADRP C[C@H]([NH2+]C1CCN(Cc2c(F)cccc2Cl)CC1)C1CC[NH2+]CC1 ZINC000873221037 735739611 /nfs/dbraw/zinc/73/96/11/735739611.db2.gz YAHIMAYTDLGLFO-AWEZNQCLSA-N 2 0 353.913 3.421 20 0 FGADRP C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@@H](C)C1CC[NH2+]CC1 ZINC000873220828 735739760 /nfs/dbraw/zinc/73/97/60/735739760.db2.gz UTPIPTJQYSRKRZ-STQMWFEESA-N 2 0 368.319 3.144 20 0 FGADRP CN(C)Cc1cnc(C[N@@H+]2CCC[C@@H](C[C@H]([NH3+])C3CCCC3)C2)s1 ZINC000873231770 735740885 /nfs/dbraw/zinc/74/08/85/735740885.db2.gz DCCZCTPOWPYDBM-YJBOKZPZSA-N 2 0 350.576 3.324 20 0 FGADRP C[C@@H]([NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2)c1sccc1Br ZINC000873289926 735747032 /nfs/dbraw/zinc/74/70/32/735747032.db2.gz MIJXJJQXOYUIOZ-VXGBXAGGSA-N 2 0 359.333 3.320 20 0 FGADRP CC[NH2+]Cc1ccccc1NC(=O)c1sc(C2CC[NH2+]CC2)nc1C ZINC000876509706 736108842 /nfs/dbraw/zinc/10/88/42/736108842.db2.gz MYUAQLFRATYIIB-UHFFFAOYSA-N 2 0 358.511 3.280 20 0 FGADRP COCC[N@@H+](Cc1nc2ccc(OC)cc2s1)CC1CC[NH+](C)CC1 ZINC000877664089 736701398 /nfs/dbraw/zinc/70/13/98/736701398.db2.gz GWUJNYIXYWNVLN-UHFFFAOYSA-N 2 0 363.527 3.095 20 0 FGADRP C[C@@H]1C[C@H](C[N@@H+]2CC[C@H]3[C@H](CC[NH+]3C)C2)CCN1C(=O)OC(C)(C)C ZINC000877743213 736713141 /nfs/dbraw/zinc/71/31/41/736713141.db2.gz ULYDCTBXBXJTTP-TVFCKZIOSA-N 2 0 351.535 3.048 20 0 FGADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@H+](CCc3ccccc3Br)C2)C1 ZINC000883434752 737566390 /nfs/dbraw/zinc/56/63/90/737566390.db2.gz ZVGGMIIYLCPKDH-NUJGCVRESA-N 2 0 367.331 3.210 20 0 FGADRP C[NH+](C)[C@]1(CN[C@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)CCSC1 ZINC000886536500 739265619 /nfs/dbraw/zinc/26/56/19/739265619.db2.gz IYGUISALVYFKRI-TUFLPTIASA-N 2 0 359.583 3.066 20 0 FGADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+]CCC[N@H+](C)C(C)C)C[C@H]1C(F)(F)F ZINC000892516873 740011231 /nfs/dbraw/zinc/01/12/31/740011231.db2.gz QBKPOVNMTUJXFN-RRFJBIMHSA-N 2 0 352.441 3.217 20 0 FGADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]([NH+](C)C)C2)C[C@H]1C(F)(F)F ZINC000893094415 742109001 /nfs/dbraw/zinc/10/90/01/742109001.db2.gz JQTMHSPNFHGMFD-YIDVYQOGSA-N 2 0 364.452 3.359 20 0 FGADRP CN1CC[C@H](C[NH2+]CC2CC[NH+](C)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000893271810 742133461 /nfs/dbraw/zinc/13/34/61/742133461.db2.gz BSOGGDBIMTVTHI-APWZRJJASA-N 2 0 353.913 3.403 20 0 FGADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCCC[N@H+](C)C2)C[C@H]1C(F)(F)F ZINC000895587365 742429960 /nfs/dbraw/zinc/42/99/60/742429960.db2.gz QBJJSHZDJLZRPY-CAOSSQGBSA-N 2 0 364.452 3.218 20 0 FGADRP C[C@@H](C[N@H+](C)CCCC[NH+]1CCCCC1)c1ccc(S(C)(=O)=O)cc1 ZINC000895682481 742439279 /nfs/dbraw/zinc/43/92/79/742439279.db2.gz FBBDLTKEZXMHPA-SFHVURJKSA-N 2 0 366.571 3.392 20 0 FGADRP COc1cccc(-c2nc(C[N@@H+]3C[C@@H](C)[C@H](CC[NH3+])C3)cs2)c1OC ZINC000903496778 743856339 /nfs/dbraw/zinc/85/63/39/743856339.db2.gz CVBFNSMAXXOQRU-ZIAGYGMSSA-N 2 0 361.511 3.244 20 0 FGADRP Clc1ccccc1OC[C@@H]1CCC[N@H+](C[C@H]2C[C@]3(CC[NH2+]C3)CO2)C1 ZINC000903757109 743881015 /nfs/dbraw/zinc/88/10/15/743881015.db2.gz XWZDTNMAKURIJS-HLIPFELVSA-N 2 0 364.917 3.199 20 0 FGADRP O=C(c1ccccc1Cl)C1CC[NH+](C[C@H]2C[C@]3(CC[NH2+]C3)CO2)CC1 ZINC000903832963 743887157 /nfs/dbraw/zinc/88/71/57/743887157.db2.gz ULECMVQXEWDSFH-UZLBHIALSA-N 2 0 362.901 3.003 20 0 FGADRP CCOc1c(Cl)cc(C[NH+]2CCC3(CO[C@@H](C[NH3+])C3)CC2)cc1OC ZINC000904389852 743951235 /nfs/dbraw/zinc/95/12/35/743951235.db2.gz WODSPKKNNRFREQ-OAHLLOKOSA-N 2 0 368.905 3.077 20 0 FGADRP CC(=O)N(c1nc(CN2CC[C@H](CC[NH3+])C2)cs1)c1ccc(F)cc1 ZINC000904406182 743952737 /nfs/dbraw/zinc/95/27/37/743952737.db2.gz SYUCVGMUFUJOAS-AWEZNQCLSA-N 2 0 362.474 3.138 20 0 FGADRP CC1(C)CC([NH2+]C[C@H](O)c2cccc(Br)c2)CC(C)(C)[NH2+]1 ZINC000913111564 757461042 /nfs/dbraw/zinc/46/10/42/757461042.db2.gz CDVAUKAVKULNST-HNNXBMFYSA-N 2 0 355.320 3.381 20 0 FGADRP Cc1cnc(Cl)c(C[NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)c1 ZINC000922184679 758865667 /nfs/dbraw/zinc/86/56/67/758865667.db2.gz HJZCMOWYRYCINB-UHFFFAOYSA-N 2 0 359.901 3.160 20 0 FGADRP CSCc1ccc(C[NH2+]Cc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)cc1 ZINC000922239920 758877391 /nfs/dbraw/zinc/87/73/91/758877391.db2.gz LRPZLPSEYCRMPV-OAQYLSRUSA-N 2 0 356.535 3.406 20 0 FGADRP CC(C)[C@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1nc(C(C)(C)C)cs1)C2 ZINC000922389303 758909999 /nfs/dbraw/zinc/90/99/99/758909999.db2.gz IPXJNQSUEAXXNG-BCXHYRKLSA-N 2 0 351.560 3.010 20 0 FGADRP CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3cnc(C(C)C)s3)C2)[C@H]1C(C)C ZINC000922394727 758913706 /nfs/dbraw/zinc/91/37/06/758913706.db2.gz SERXVTCKJTVSEF-MTNOOBJLSA-N 2 0 351.560 3.226 20 0 FGADRP CC[NH+](CC)[C@H](CNC1C[C@H]2CC[C@@H](C1)[N@H+]2CCOC)c1ccsc1 ZINC000924657573 759368796 /nfs/dbraw/zinc/36/87/96/759368796.db2.gz HYEMOMGDNHUTKX-RAFMOHDBSA-N 2 0 365.587 3.362 20 0 FGADRP C[C@H](NC1CC[NH+](C[C@@H]2CCCO2)CC1)c1cccc(Br)n1 ZINC000925057946 759439670 /nfs/dbraw/zinc/43/96/70/759439670.db2.gz VXXVQXQUPJRTFS-ZFWWWQNUSA-N 2 0 368.319 3.138 20 0 FGADRP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1)C1(Br)CC1 ZINC000925222779 759463744 /nfs/dbraw/zinc/46/37/44/759463744.db2.gz SVHPQHVRYPDVER-CQSZACIVSA-N 2 0 367.331 3.049 20 0 FGADRP COc1ccc(Cl)cc1NC(=O)CC[NH2+][C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925530773 759501346 /nfs/dbraw/zinc/50/13/46/759501346.db2.gz UGHLXVGLJVQBCB-BVGQSLNGSA-N 2 0 365.905 3.043 20 0 FGADRP COc1cc(Br)cc(C[NH2+][C@H](C)c2ccc(C[NH3+])nc2C)c1 ZINC000925832989 759553998 /nfs/dbraw/zinc/55/39/98/759553998.db2.gz YIACBYYCHQPWRZ-LLVKDONJSA-N 2 0 364.287 3.471 20 0 FGADRP O=C1O[C@H](C[NH2+][C@@H]2CCSc3c(Cl)cccc32)CC12CC[NH2+]CC2 ZINC000925850580 759558395 /nfs/dbraw/zinc/55/83/95/759558395.db2.gz JPGWMIJUETZYRH-SWLSCSKDSA-N 2 0 366.914 3.152 20 0 FGADRP CC(C)[C@H]([NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ccccc1Cl ZINC000925853160 759559492 /nfs/dbraw/zinc/55/94/92/759559492.db2.gz FIFGDSXROZRTDB-YOEHRIQHSA-N 2 0 350.890 3.312 20 0 FGADRP COCCc1nc(C)c([C@@H](C)[NH2+][C@H]2C[C@@](C[NH3+])(c3ccccc3)C2)s1 ZINC000925886944 759566996 /nfs/dbraw/zinc/56/69/96/759566996.db2.gz NXDSVIUEHYLMHU-ZTQAJYAQSA-N 2 0 359.539 3.350 20 0 FGADRP FC(F)(F)[C@H]1CCC[C@H](C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)O1 ZINC000929762124 760451177 /nfs/dbraw/zinc/45/11/77/760451177.db2.gz DPAVEXHLRGTOIK-IAGOWNOFSA-N 2 0 364.452 3.063 20 0 FGADRP C[N@@H+]1CC[C@H](CNC(=O)CC[NH2+]C(C)(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000935145208 761801151 /nfs/dbraw/zinc/80/11/51/761801151.db2.gz BVGCUGPOWHQQBY-RDTXWAMCSA-N 2 0 369.912 3.366 20 0 FGADRP CC[C@@H]1[C@@H](C(=O)NC2CC(C[NH2+]Cc3sccc3Cl)C2)CC[N@@H+]1C ZINC000961856015 762753464 /nfs/dbraw/zinc/75/34/64/762753464.db2.gz DYPJPCQREATCLS-VKJZCYHPSA-N 2 0 369.962 3.116 20 0 FGADRP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCCCC[NH+]2CCC(F)(F)F)CC[N@@H+]1C ZINC000968867167 762843594 /nfs/dbraw/zinc/84/35/94/762843594.db2.gz SRDFRMSURKBWBI-OWCLPIDISA-N 2 0 363.468 3.030 20 0 FGADRP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)C2CC[NH+](CCC(C)(C)C)CC2)CC[N@@H+]1C ZINC000997597402 765069357 /nfs/dbraw/zinc/06/93/57/765069357.db2.gz VQPKTQOAYOOHFC-YTQUADARSA-N 2 0 351.579 3.370 20 0 FGADRP C[C@H](c1cccc(Cl)c1)[NH+]1CCC(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001002852366 765347985 /nfs/dbraw/zinc/34/79/85/765347985.db2.gz OJEMDZBNJVUZEZ-SPYBWZPUSA-N 2 0 363.933 3.322 20 0 FGADRP Cc1ccc(CN2CCC[C@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)c(Cl)c1 ZINC001007376779 765590831 /nfs/dbraw/zinc/59/08/31/765590831.db2.gz NMKXUYYIWMSQAK-BPQIPLTHSA-N 2 0 363.933 3.069 20 0 FGADRP C[C@@H]1[C@H](C(=O)N2CCC[C@H](C[NH2+]Cc3ccccc3Cl)C2)CC[N@@H+]1C ZINC001023993770 766047808 /nfs/dbraw/zinc/04/78/08/766047808.db2.gz PHGPYYZSIXTNFE-JFIYKMOQSA-N 2 0 363.933 3.008 20 0 FGADRP C[C@@H]1[C@H](C(=O)NC2CCC([NH2+]Cc3ccc(Cl)s3)CC2)CC[N@@H+]1C ZINC001026496128 766074900 /nfs/dbraw/zinc/07/49/00/766074900.db2.gz MNKNOEOGAJYCOX-UWLZSVRSSA-N 2 0 369.962 3.259 20 0 FGADRP C[C@@H]1[C@H](C(=O)N2CCC[C@H](C3CC[NH+](C/C=C\Cl)CC3)C2)CC[N@@H+]1C ZINC001047243193 766632645 /nfs/dbraw/zinc/63/26/45/766632645.db2.gz XLTMUDFBSUNZER-WHBMQHHPSA-N 2 0 367.965 3.030 20 0 FGADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1cc(Cl)cc(Cl)c1 ZINC000057157324 208498732 /nfs/dbraw/zinc/49/87/32/208498732.db2.gz YMJPWXPHTSXIAE-UHFFFAOYSA-N 2 0 360.329 3.339 20 0 FGADRP CCO[C@@H]1C[C@@H]([NH2+]CCC2CC[NH+](C3CCN(C)CC3)CC2)C12CCC2 ZINC000376168588 257449892 /nfs/dbraw/zinc/44/98/92/257449892.db2.gz XLQDJWUOHLCIFI-NHCUHLMSSA-N 2 0 363.590 3.120 20 0 FGADRP CCC(CC)[C@H](CNC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C)[NH+]1CCCC1 ZINC000376627860 257489870 /nfs/dbraw/zinc/48/98/70/257489870.db2.gz LXTHKGREQQBNDF-XNMUZJSGSA-N 2 0 364.578 3.154 20 0 FGADRP CSC1(C[NH2+]C[C@@H](O)Cc2ccc3ccccc3c2)CC[NH+](C)CC1 ZINC000579583857 505580685 /nfs/dbraw/zinc/58/06/85/505580685.db2.gz OUMGWKWTFZQHHW-FQEVSTJZSA-N 2 0 358.551 3.160 20 0 FGADRP CC[C@@H](C(=O)NC[C@H](C[NH+](C)C)c1ccc(Cl)cc1)[NH+](CC)CC ZINC000573716060 505602982 /nfs/dbraw/zinc/60/29/82/505602982.db2.gz OCORFYIXGLRADH-AEFFLSMTSA-N 2 0 353.938 3.222 20 0 FGADRP c1ccc(C[N@H+]2C[C@H](C[NH2+]C[C@@H]3CCSC3)C3(C2)CCOCC3)cc1 ZINC000573746173 505609628 /nfs/dbraw/zinc/60/96/28/505609628.db2.gz PSJKFYPVVHFULD-PMACEKPBSA-N 2 0 360.567 3.258 20 0 FGADRP CC[NH+]1CCC(C[NH2+][C@H](C)CC(=O)Nc2cc(Cl)ccc2OC)CC1 ZINC000576902923 505620735 /nfs/dbraw/zinc/62/07/35/505620735.db2.gz XZODRBNEEURYOC-CQSZACIVSA-N 2 0 367.921 3.387 20 0 FGADRP Cc1ccccc1[C@H]([NH3+])C(=O)Nc1cccc(CN2C[C@@H](C)O[C@H](C)C2)c1 ZINC000576940635 505630077 /nfs/dbraw/zinc/63/00/77/505630077.db2.gz VDGQXKDRXMLTML-LZJOCLMNSA-N 2 0 367.493 3.243 20 0 FGADRP CC(C)C[NH+]1CCC([NH2+]C[C@@H](O)COc2ccccc2C(F)(F)F)CC1 ZINC000573834252 505631745 /nfs/dbraw/zinc/63/17/45/505631745.db2.gz ULFOKJOIUWHLOD-MRXNPFEDSA-N 2 0 374.447 3.155 20 0 FGADRP CC(C)OC[C@@H](O)C[NH2+]Cc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000576980896 505637733 /nfs/dbraw/zinc/63/77/33/505637733.db2.gz YKJNJOOVNDJRFN-NRFANRHFSA-N 2 0 356.510 3.291 20 0 FGADRP C[NH+](C)CCCOc1cnccc1C[NH2+][C@@H]1CS[C@@H](C(C)(C)C)C1 ZINC000577146967 505672952 /nfs/dbraw/zinc/67/29/52/505672952.db2.gz VEPMEMXEBUXDIG-FUHWJXTLSA-N 2 0 351.560 3.422 20 0 FGADRP CC[NH+]1CCC(NC(=O)NCc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)CC1 ZINC000047978700 493768434 /nfs/dbraw/zinc/76/84/34/493768434.db2.gz XIFUDSMTKBGEQH-SFHVURJKSA-N 2 0 372.557 3.202 20 0 FGADRP CC[NH+]1CCC(NC(=O)NCc2ccccc2C[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000047978711 493769689 /nfs/dbraw/zinc/76/96/89/493769689.db2.gz SHGPYYQLPFFLDE-SFHVURJKSA-N 2 0 372.557 3.345 20 0 FGADRP CC[NH+](CC)Cc1ccc(C(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)cc1 ZINC000048078015 493781925 /nfs/dbraw/zinc/78/19/25/493781925.db2.gz ARFZXFLRAIQYJZ-QFIPXVFZSA-N 2 0 367.537 3.431 20 0 FGADRP COc1ccc(Cl)cc1NC(=O)CC[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000075860578 493787499 /nfs/dbraw/zinc/78/74/99/493787499.db2.gz DSLAFSALSJKZPC-MRXNPFEDSA-N 2 0 367.921 3.483 20 0 FGADRP Cc1cc2ncn(C[C@@H](O)C[NH2+]CCCC[N@H+]3CCCC[C@@H]3C)c2cc1C ZINC000568384029 505681909 /nfs/dbraw/zinc/68/19/09/505681909.db2.gz SQSSIVWUASSDPV-PMACEKPBSA-N 2 0 372.557 3.258 20 0 FGADRP C[N@H+](C[C@H](O)COCc1cccs1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076109692 493825199 /nfs/dbraw/zinc/82/51/99/493825199.db2.gz WYFVWMYFQLIMEY-PMACEKPBSA-N 2 0 374.550 3.080 20 0 FGADRP C[N@H+](C[C@H](O)COCc1cccs1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076109693 493825365 /nfs/dbraw/zinc/82/53/65/493825365.db2.gz WYFVWMYFQLIMEY-UXHICEINSA-N 2 0 374.550 3.080 20 0 FGADRP O=C(NCC[NH+]1CCCC1)c1ccc(C[NH2+]Cc2ccc(Cl)cc2)cc1 ZINC000076331121 493866660 /nfs/dbraw/zinc/86/66/60/493866660.db2.gz SODMSPZKNIHQNK-UHFFFAOYSA-N 2 0 371.912 3.455 20 0 FGADRP Cc1ccc(OC[C@H](O)C[NH2+]Cc2cccc(C[NH+]3CCCC3)c2)cc1 ZINC000574071698 505687272 /nfs/dbraw/zinc/68/72/72/505687272.db2.gz JZPBOIDVFBTPMP-OAQYLSRUSA-N 2 0 354.494 3.120 20 0 FGADRP Cc1ccccc1-c1cnc(C[NH+]2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)o1 ZINC000574088880 505691225 /nfs/dbraw/zinc/69/12/25/505691225.db2.gz JQRDLKKBCPHSNB-HKUYNNGSSA-N 2 0 355.482 3.368 20 0 FGADRP CC(C)[NH+](CCNC(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)C(C)C ZINC000060955693 493960975 /nfs/dbraw/zinc/96/09/75/493960975.db2.gz CYAYFOPWHXOJRM-HXUWFJFHSA-N 2 0 360.546 3.069 20 0 FGADRP C[C@@H](CC[NH+](C)C)NC(=O)NCc1ccccc1C[NH+]1CCC(C)CC1 ZINC000062505501 494014612 /nfs/dbraw/zinc/01/46/12/494014612.db2.gz XQCRXUABVGPXJG-SFHVURJKSA-N 2 0 360.546 3.058 20 0 FGADRP CCn1c2ccccc2c2cc(C[NH2+]CC3(O)CC[NH+](C)CC3)ccc21 ZINC000077450041 494085819 /nfs/dbraw/zinc/08/58/19/494085819.db2.gz TUGFZKRZDJEDCJ-UHFFFAOYSA-N 2 0 351.494 3.361 20 0 FGADRP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+](C)CC2CCCC2)CC1 ZINC000064021594 494102200 /nfs/dbraw/zinc/10/22/00/494102200.db2.gz RWOHQHTVAZPFRN-UHFFFAOYSA-N 2 0 357.542 3.198 20 0 FGADRP Cc1ccc([C@@H](CNC(=O)NC2CC[NH+](C3CC3)CC2)[NH+]2CCCC2)cc1 ZINC000064237401 494107963 /nfs/dbraw/zinc/10/79/63/494107963.db2.gz FGCGAXQEKZYVFW-OAQYLSRUSA-N 2 0 370.541 3.058 20 0 FGADRP C[C@H](NC(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1)C(C)(C)C[NH+](C)C ZINC000085361528 494116377 /nfs/dbraw/zinc/11/63/77/494116377.db2.gz GLUAQZJFASMCKE-ROUUACIJSA-N 2 0 374.573 3.488 20 0 FGADRP Cc1ccc([C@@H](CNC(=O)N[C@H](C)C(C)(C)C[NH+](C)C)[NH+]2CCCC2)o1 ZINC000085360255 494116871 /nfs/dbraw/zinc/11/68/71/494116871.db2.gz GFIBGGDLMYYRMH-IAGOWNOFSA-N 2 0 364.534 3.000 20 0 FGADRP C[C@@H](CNC(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1)[NH+]1CCC(C)CC1 ZINC000072044377 494120090 /nfs/dbraw/zinc/12/00/90/494120090.db2.gz YXGXLTCGEJTIIL-FPOVZHCZSA-N 2 0 372.557 3.243 20 0 FGADRP CC(C)[N@H+](C)CC1CCN(C(=O)[C@H]2CCC[NH+](Cc3ccccc3)C2)CC1 ZINC000064739232 494145839 /nfs/dbraw/zinc/14/58/39/494145839.db2.gz CWVZDAKCTPZHAK-QFIPXVFZSA-N 2 0 371.569 3.477 20 0 FGADRP C[C@H](CNC(=O)N1CCC[N@H+](Cc2ccccc2)C[C@H]1C)C[NH+]1CCCC1 ZINC000077780501 494175932 /nfs/dbraw/zinc/17/59/32/494175932.db2.gz XJELSTSHGXOUNL-WOJBJXKFSA-N 2 0 372.557 3.024 20 0 FGADRP Cc1ccccc1NC(=O)CC[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000072600164 494214852 /nfs/dbraw/zinc/21/48/52/494214852.db2.gz GWDQREPAGCUQIF-KDURUIRLSA-N 2 0 373.541 3.145 20 0 FGADRP C[NH+]1CCN(C[C@H]([NH2+]CCc2cccc(Cl)c2)c2ccccc2)CC1 ZINC000577347864 505709366 /nfs/dbraw/zinc/70/93/66/505709366.db2.gz HQESOPXLMAYGCU-NRFANRHFSA-N 2 0 357.929 3.461 20 0 FGADRP CCC1(O)CC[NH+](Cc2cccc(C[NH+]3CCC(O)(CC)CC3)c2)CC1 ZINC000072723798 494241186 /nfs/dbraw/zinc/24/11/86/494241186.db2.gz RXVRCBDIVPOIPS-UHFFFAOYSA-N 2 0 360.542 3.160 20 0 FGADRP C[C@@H](CC[NH+](C)C)NC(=O)N(C)C1CC[NH+](C2CCC(C)CC2)CC1 ZINC000066191106 494286737 /nfs/dbraw/zinc/28/67/37/494286737.db2.gz ZSSGPMRVQZOEJD-HFCFLWKCSA-N 2 0 352.567 3.011 20 0 FGADRP Cc1c[nH+]ccc1N1CCC(C(=O)NCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000073036013 494309844 /nfs/dbraw/zinc/30/98/44/494309844.db2.gz CWEJQBUTBFFWTC-QGZVFWFLSA-N 2 0 372.557 3.233 20 0 FGADRP C[C@H](NC(=O)C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)c1ccc(Cl)c(Cl)c1 ZINC000568512188 505712812 /nfs/dbraw/zinc/71/28/12/505712812.db2.gz OEJJBUNDUVWMCU-AEGPPILISA-N 2 0 370.324 3.102 20 0 FGADRP Cc1c[nH+]ccc1N1CCC(C(=O)N2CCC[C@H]2C[NH+]2CCCCC2)CC1 ZINC000073327698 494358782 /nfs/dbraw/zinc/35/87/82/494358782.db2.gz UCWVQBIQMAUTKF-FQEVSTJZSA-N 2 0 370.541 3.083 20 0 FGADRP O=C(NCCC[NH+]1CCCCC1)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000078946828 494382115 /nfs/dbraw/zinc/38/21/15/494382115.db2.gz OODONBSTKFVWHQ-UHFFFAOYSA-N 2 0 364.578 3.160 20 0 FGADRP CC[NH+]1CCC(CCNC(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)CC1 ZINC000073666301 494409969 /nfs/dbraw/zinc/40/99/69/494409969.db2.gz XFCCODAAOCTAJG-NRFANRHFSA-N 2 0 372.557 3.245 20 0 FGADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)NCCCC[NH+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000073677694 494412270 /nfs/dbraw/zinc/41/22/70/494412270.db2.gz PUABNNMMRCUNLF-ZCNNSNEGSA-N 2 0 366.594 3.118 20 0 FGADRP C[C@H](Cc1ccsc1)[NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000090028624 494431720 /nfs/dbraw/zinc/43/17/20/494431720.db2.gz SKCQTTNKJYQGCT-QGZVFWFLSA-N 2 0 371.550 3.295 20 0 FGADRP CC[C@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)c1ccc(F)cc1 ZINC000090038767 494432089 /nfs/dbraw/zinc/43/20/89/494432089.db2.gz GJZIINKQMWFVOO-FQEVSTJZSA-N 2 0 357.473 3.358 20 0 FGADRP CCc1ccc([C@@H](C)[NH2+]Cc2ccc(C(=O)NCC[NH+](C)C)cc2)cc1 ZINC000090038734 494432504 /nfs/dbraw/zinc/43/25/04/494432504.db2.gz OLPLGPODEWPLTF-QGZVFWFLSA-N 2 0 353.510 3.391 20 0 FGADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]CCOc1ncc(C(F)(F)F)cc1Cl ZINC000090082476 494438508 /nfs/dbraw/zinc/43/85/08/494438508.db2.gz NFGYMHNZSRUJIQ-UHIISALHSA-N 2 0 365.827 3.451 20 0 FGADRP C[C@@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)c1cccc(Cl)c1 ZINC000090121709 494444758 /nfs/dbraw/zinc/44/47/58/494444758.db2.gz RUACUFSQHQYJLS-OAHLLOKOSA-N 2 0 359.901 3.482 20 0 FGADRP C[C@@H](C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000073988929 494461658 /nfs/dbraw/zinc/46/16/58/494461658.db2.gz LDRXNVJRZRBUEP-BWAGFHJFSA-N 2 0 369.553 3.025 20 0 FGADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NCC[N@@H+]1CCC[C@H](C)C1 ZINC000067062778 494466915 /nfs/dbraw/zinc/46/69/15/494466915.db2.gz XDTHYHROVXWWMR-SFHVURJKSA-N 2 0 360.546 3.012 20 0 FGADRP C[N@@H+]1CCCN(CCC[NH2+]Cc2ccc(OC(F)F)c(Cl)c2)CC1 ZINC000067121539 494479035 /nfs/dbraw/zinc/47/90/35/494479035.db2.gz PMNBDSZEHYRUAE-UHFFFAOYSA-N 2 0 361.864 3.059 20 0 FGADRP COc1ccc2c(c1)OC[C@H]([NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1)C2 ZINC000090964760 494506528 /nfs/dbraw/zinc/50/65/28/494506528.db2.gz QFMJLBHWWYMHDY-QFBILLFUSA-N 2 0 370.493 3.290 20 0 FGADRP C[C@H](CNC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)C[NH+]1CCCCC1 ZINC000079690564 494509312 /nfs/dbraw/zinc/50/93/12/494509312.db2.gz BSAHPVDXNGASGD-LJQANCHMSA-N 2 0 372.557 3.204 20 0 FGADRP CC[NH+](CC)[C@H](C(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1)c1ccccc1 ZINC000074319173 494516894 /nfs/dbraw/zinc/51/68/94/494516894.db2.gz QSNHFHDSSUWPAP-FPOVZHCZSA-N 2 0 357.542 3.260 20 0 FGADRP CCCC[N@H+](C)CC1CCN(C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000079911025 494548588 /nfs/dbraw/zinc/54/85/88/494548588.db2.gz SZOPWTYTGVUAGT-UHFFFAOYSA-N 2 0 352.567 3.016 20 0 FGADRP CC(C)[NH+](CCNC(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1)C(C)C ZINC000056783547 494562918 /nfs/dbraw/zinc/56/29/18/494562918.db2.gz RBKOKCBQPYTOFA-UHFFFAOYSA-N 2 0 366.525 3.018 20 0 FGADRP C[N@H+](CCOc1cccc(C[NH2+][C@H]2CCCSC2)c1)C1CCOCC1 ZINC000131374368 494598084 /nfs/dbraw/zinc/59/80/84/494598084.db2.gz GZIQITHGDQSYGQ-SFHVURJKSA-N 2 0 364.555 3.161 20 0 FGADRP COc1cc(C[NH+]2CCC(CC[NH+](C)C)CC2)ccc1OC(=O)C1CC1 ZINC000092381103 494610652 /nfs/dbraw/zinc/61/06/52/494610652.db2.gz HDPMZNSAMOKIJL-UHFFFAOYSA-N 2 0 360.498 3.174 20 0 FGADRP CC(C)[NH2+]C1CCN(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000080166885 494621225 /nfs/dbraw/zinc/62/12/25/494621225.db2.gz HNGNQYSISDRFTB-RXVVDRJESA-N 2 0 372.557 3.212 20 0 FGADRP CCCC[N@H+](C)C[C@@H](C)NC(=O)N[C@@H](C)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000580321975 505732285 /nfs/dbraw/zinc/73/22/85/505732285.db2.gz KZKQFCMXZHGGRN-SVFBPWRDSA-N 2 0 374.573 3.317 20 0 FGADRP C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+]CC1CC[NH+](C)CC1 ZINC000126174459 494660563 /nfs/dbraw/zinc/66/05/63/494660563.db2.gz ABPIJKFWYLYAHR-CYBMUJFWSA-N 2 0 368.319 3.098 20 0 FGADRP C[NH+](C)[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1Cc1ccccc1)c1ccc(F)cc1 ZINC000057177566 494669654 /nfs/dbraw/zinc/66/96/54/494669654.db2.gz OFLACAWGSNWYRJ-RTWAWAEBSA-N 2 0 369.484 3.209 20 0 FGADRP C[C@H]1C[NH+](CC2CC[NH+](Cc3cccc4c3OCCCO4)CC2)C[C@H](C)O1 ZINC000092587017 494676858 /nfs/dbraw/zinc/67/68/58/494676858.db2.gz LDLMIVQQBQOYSJ-ROUUACIJSA-N 2 0 374.525 3.169 20 0 FGADRP C[NH+](C)Cc1ccccc1CNC(=O)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000121313046 494695707 /nfs/dbraw/zinc/69/57/07/494695707.db2.gz ONJNZPJICVXLMZ-JOCHJYFZSA-N 2 0 365.521 3.419 20 0 FGADRP CC[NH+](CC)Cc1cccc(CNC(=O)NCC2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000057279814 494702074 /nfs/dbraw/zinc/70/20/74/494702074.db2.gz SQNKZZSLGURNSI-SEJPIABJSA-N 2 0 372.557 3.200 20 0 FGADRP CC[NH+]1CCN(Cc2ccccc2C[NH2+][C@@H](C)c2ccc(F)cn2)CC1 ZINC000092739572 494733509 /nfs/dbraw/zinc/73/35/09/494733509.db2.gz KXKLWGOBZADLTO-KRWDZBQOSA-N 2 0 356.489 3.209 20 0 FGADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H]1CCCc2ccc(Br)cc21 ZINC000092747337 494736537 /nfs/dbraw/zinc/73/65/37/494736537.db2.gz GRPXBIWHTXAAPZ-RDTXWAMCSA-N 2 0 366.347 3.052 20 0 FGADRP C[C@@H](C[NH2+][C@H]1CCCc2ccc(Br)cc21)N1CC[NH+](C)CC1 ZINC000092746461 494736870 /nfs/dbraw/zinc/73/68/70/494736870.db2.gz ZFGFLVSHROIZRP-KSSFIOAISA-N 2 0 366.347 3.052 20 0 FGADRP CCCC[N@H+](C)CCNC(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000116551184 494813161 /nfs/dbraw/zinc/81/31/61/494813161.db2.gz MKCBETNCGFGHOH-GOSISDBHSA-N 2 0 360.546 3.243 20 0 FGADRP C[C@H](C[NH2+][C@H]1CCCOc2cc3c(cc21)CCCC3)N1CC[NH+](C)CC1 ZINC000126660916 494813346 /nfs/dbraw/zinc/81/33/46/494813346.db2.gz PHVZQQNNMHVNST-UTKZUKDTSA-N 2 0 357.542 3.005 20 0 FGADRP COc1ccc(OCc2ccccn2)c(C[N@H+](C)CC2CC[NH+](C)CC2)c1 ZINC000093088758 494824775 /nfs/dbraw/zinc/82/47/75/494824775.db2.gz JLECZQBXTKMUSZ-UHFFFAOYSA-N 2 0 369.509 3.443 20 0 FGADRP CC[NH+](CC)[C@H](C)CNC(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000121642617 494828501 /nfs/dbraw/zinc/82/85/01/494828501.db2.gz JVKPFQGHPFMMRN-LMDPOFIKSA-N 2 0 352.567 3.059 20 0 FGADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000121755546 494853225 /nfs/dbraw/zinc/85/32/25/494853225.db2.gz ZJBJCYGUORNZHQ-HDYDNRTBSA-N 2 0 364.578 3.203 20 0 FGADRP CC(C)[C@H](C[NH2+][C@@H](C)c1ccccc1Br)N1CC[NH+](C)CC1 ZINC000132326494 494856728 /nfs/dbraw/zinc/85/67/28/494856728.db2.gz MNINSDOFLXNZQI-YJBOKZPZSA-N 2 0 368.363 3.372 20 0 FGADRP CC(C)[C@@H](C[NH2+][C@H](C)c1cccc(OC(F)F)c1)N1CC[NH+](C)CC1 ZINC000132361466 494862750 /nfs/dbraw/zinc/86/27/50/494862750.db2.gz URNPBCXOBXCUEW-CRAIPNDOSA-N 2 0 355.473 3.211 20 0 FGADRP Cc1nccn1-c1ccc([C@@H](C)[NH2+]C[C@H](C(C)C)N2CC[NH+](C)CC2)cc1 ZINC000132485729 494881441 /nfs/dbraw/zinc/88/14/41/494881441.db2.gz HUQZLKFXEVEANC-XMSQKQJNSA-N 2 0 369.557 3.103 20 0 FGADRP C[NH+](C)CCCC1CCN(C(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000132498593 494883833 /nfs/dbraw/zinc/88/38/33/494883833.db2.gz QKFBPMHDAZNUSK-JOCHJYFZSA-N 2 0 371.569 3.479 20 0 FGADRP Cc1cc2ncc([C@@H](C)[NH2+]Cc3cccc(OCC[NH+](C)C)c3)c(C)n2n1 ZINC000093399092 494885579 /nfs/dbraw/zinc/88/55/79/494885579.db2.gz MGLFIRQQBLSECM-MRXNPFEDSA-N 2 0 367.497 3.137 20 0 FGADRP COc1cc([C@@H](C)[NH2+]C[C@H](C(C)C)N2CC[NH+](C)CC2)ccc1SC ZINC000132522563 494887290 /nfs/dbraw/zinc/88/72/90/494887290.db2.gz SKRJNGLXSWBJJK-SJLPKXTDSA-N 2 0 365.587 3.340 20 0 FGADRP COc1ccc(Cl)cc1[C@H](C)[NH2+]C[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000132541991 494890958 /nfs/dbraw/zinc/89/09/58/494890958.db2.gz JXKNUHIRBRJMEI-MAUKXSAKSA-N 2 0 353.938 3.271 20 0 FGADRP Cc1ccccc1[C@H](C)[NH+]1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000132714100 494913852 /nfs/dbraw/zinc/91/38/52/494913852.db2.gz SHOQJKXFQXPPNP-SFHVURJKSA-N 2 0 359.558 3.472 20 0 FGADRP CC1(C)Cc2cccc(C[NH+]3CCC(OCC[NH+]4CCCC4)CC3)c2O1 ZINC000093735005 494914927 /nfs/dbraw/zinc/91/49/27/494914927.db2.gz UAUXIRRJVHXKDN-UHFFFAOYSA-N 2 0 358.526 3.477 20 0 FGADRP C[C@H]1C[C@@H](NC(=O)NC2CC[NH+](C(C)(C)C)CC2)C[N@@H+]1Cc1ccccc1 ZINC000127291960 494923071 /nfs/dbraw/zinc/92/30/71/494923071.db2.gz PEIPOFNZBMHUIU-FXAWDEMLSA-N 2 0 372.557 3.212 20 0 FGADRP CC[NH+]1CCC(NC(=O)Nc2ccc(OCC[NH+]3CCCCC3)cc2)CC1 ZINC000127382928 494936970 /nfs/dbraw/zinc/93/69/70/494936970.db2.gz QEXQTJPWSRYEGO-UHFFFAOYSA-N 2 0 374.529 3.157 20 0 FGADRP C[C@H]([NH2+][C@@H](CN1CC[NH+](C)CC1)c1ccccc1)c1ccccc1N(C)C ZINC000093944411 494938125 /nfs/dbraw/zinc/93/81/25/494938125.db2.gz XRYHWHBHTAWUSO-UGKGYDQZSA-N 2 0 366.553 3.392 20 0 FGADRP C[NH+](C)CCCOc1cnccc1C[NH2+][C@@H]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000577557017 505751398 /nfs/dbraw/zinc/75/13/98/505751398.db2.gz RJIOCLNHMQONSJ-YZGWKJHDSA-N 2 0 361.530 3.097 20 0 FGADRP C[C@@H]([NH2+]C[C@H](C)N1CC[NH+](C)CC1)C(c1ccccc1)c1ccccc1 ZINC000127635769 494974110 /nfs/dbraw/zinc/97/41/10/494974110.db2.gz CUDQCPIQUQPGAT-VQTJNVASSA-N 2 0 351.538 3.433 20 0 FGADRP CCOc1ccc([C@@H](CC)[NH2+]C[C@H](C)N2CC[NH+](C)CC2)cc1OCC ZINC000127757559 494993512 /nfs/dbraw/zinc/99/35/12/494993512.db2.gz GHZGBGARXIETAP-PKOBYXMFSA-N 2 0 363.546 3.161 20 0 FGADRP Cc1ccc(C)c(C[NH+]2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)c1 ZINC000568696524 505754424 /nfs/dbraw/zinc/75/44/24/505754424.db2.gz JTFHXKMXASWSEM-UHFFFAOYSA-N 2 0 357.542 3.118 20 0 FGADRP CC[C@@H]([NH2+]C[C@H](C)N1CC[NH+](C)CC1)c1ccccc1Br ZINC000127859316 495009209 /nfs/dbraw/zinc/00/92/09/495009209.db2.gz FQVFOSOPUKHRGA-WMLDXEAASA-N 2 0 354.336 3.126 20 0 FGADRP CC(C)O[C@@H](C[N@@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1)c1ccccc1 ZINC000568707190 505757407 /nfs/dbraw/zinc/75/74/07/505757407.db2.gz NHMSSXCBQCBBLM-VXKWHMMOSA-N 2 0 359.558 3.253 20 0 FGADRP OCC[C@H]1CCCC[N@@H+]1Cc1ccccc1C[NH+]1CCCC[C@H]1CCO ZINC000111240082 495052846 /nfs/dbraw/zinc/05/28/46/495052846.db2.gz VPKUJKDCPNBYPV-SZPZYZBQSA-N 2 0 360.542 3.160 20 0 FGADRP C[NH+](C)CCNC(=O)c1ccc(C[NH2+]C2CC(c3ccccc3)C2)cc1 ZINC000128155043 495053207 /nfs/dbraw/zinc/05/32/07/495053207.db2.gz AEVHMYCFQLKVPX-UHFFFAOYSA-N 2 0 351.494 3.014 20 0 FGADRP C[C@@H]([NH2+]CCCN1CCC[N@H+](C)CC1)c1ccc(F)cc1Br ZINC000128310344 495077205 /nfs/dbraw/zinc/07/72/05/495077205.db2.gz GVVDWLJPAYHHAP-CQSZACIVSA-N 2 0 372.326 3.266 20 0 FGADRP C[C@@H](CNC(=O)NC[C@H](c1cccs1)[NH+](C)C)[N@H+](C)Cc1ccccc1 ZINC000111505145 495083365 /nfs/dbraw/zinc/08/33/65/495083365.db2.gz ZHLZNQIFFKUGKY-FUHWJXTLSA-N 2 0 374.554 3.171 20 0 FGADRP CCn1nccc1C[NH2+][C@H](C)c1cc(F)ccc1N1CC[NH+](CC)CC1 ZINC000119088454 495090074 /nfs/dbraw/zinc/09/00/74/495090074.db2.gz KJSADZBPXOJHMC-MRXNPFEDSA-N 2 0 359.493 3.035 20 0 FGADRP C[NH+](C)CCCC1CC[NH+](CC(=O)NCc2cccc(Cl)c2)CC1 ZINC000123200480 495095862 /nfs/dbraw/zinc/09/58/62/495095862.db2.gz ILMHLKBMLSDTKW-UHFFFAOYSA-N 2 0 351.922 3.010 20 0 FGADRP C[C@H]([NH2+]CCC(=O)NC1CCCCC1)c1cccc(OCC[NH+](C)C)c1 ZINC000128678759 495134081 /nfs/dbraw/zinc/13/40/81/495134081.db2.gz RBFSTEUWGHZIBB-KRWDZBQOSA-N 2 0 361.530 3.117 20 0 FGADRP Cn1cc(CN[C@@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)c(C(F)(F)F)n1 ZINC000574403453 505765072 /nfs/dbraw/zinc/76/50/72/505765072.db2.gz CLCYUTXJDUMJAZ-CVEARBPZSA-N 2 0 352.404 3.364 20 0 FGADRP C[C@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]Cc1cccc(C[NH+](C)C)c1 ZINC000123713938 495175221 /nfs/dbraw/zinc/17/52/21/495175221.db2.gz MHGOGSVOZBZZGM-AVRDEDQJSA-N 2 0 352.526 3.143 20 0 FGADRP C[C@@H]1CN(C(C)(C)C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)C[C@@H](C)O1 ZINC000119485282 495175849 /nfs/dbraw/zinc/17/58/49/495175849.db2.gz RPCXXTDZMZSAGG-WOJBJXKFSA-N 2 0 373.585 3.171 20 0 FGADRP Cc1ccccc1[C@@H](C(C)C)[N@H+](C)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000112357679 495179787 /nfs/dbraw/zinc/17/97/87/495179787.db2.gz LDOBAPZQHSEVRO-JOCHJYFZSA-N 2 0 357.542 3.367 20 0 FGADRP CCC[NH+]1CCC(N2CC[NH+](CCCOc3ccc(F)cc3)CC2)CC1 ZINC000112358141 495180380 /nfs/dbraw/zinc/18/03/80/495180380.db2.gz AKZCNQQBEFDBIU-UHFFFAOYSA-N 2 0 363.521 3.087 20 0 FGADRP C[NH+](C)CCCCC(=O)NC[C@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000571585193 505766322 /nfs/dbraw/zinc/76/63/22/505766322.db2.gz YDJSIKVXMOQVIS-MRXNPFEDSA-N 2 0 359.436 3.156 20 0 FGADRP Cc1ccc([C@@H](CNC(=O)NCCC2CC[NH+](C)CC2)[NH+]2CCCC2)cc1 ZINC000103311776 495218361 /nfs/dbraw/zinc/21/83/61/495218361.db2.gz NTTBNRCHUPZJLF-OAQYLSRUSA-N 2 0 372.557 3.163 20 0 FGADRP CC1CC[NH+](Cc2ccc(CNC(=O)N3CC[C@H](C[NH+](C)C)C3)cc2)CC1 ZINC000129456313 495248027 /nfs/dbraw/zinc/24/80/27/495248027.db2.gz WUUBLHVYCJPMGD-OAQYLSRUSA-N 2 0 372.557 3.012 20 0 FGADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N2CC[C@H](C[NH+](C)C)C2)cc1 ZINC000129457393 495248238 /nfs/dbraw/zinc/24/82/38/495248238.db2.gz JGEAGJZDMFYEKC-GHTZIAJQSA-N 2 0 372.557 3.154 20 0 FGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000104343589 495278497 /nfs/dbraw/zinc/27/84/97/495278497.db2.gz KXBSXTJDZSPIMJ-LJQANCHMSA-N 2 0 361.555 3.091 20 0 FGADRP CCCC[N@H+](CC)Cc1cccc(CNC(=O)NC[C@H]2CCC[NH+](C)C2)c1 ZINC000135427252 495290782 /nfs/dbraw/zinc/29/07/82/495290782.db2.gz FCWVBQFTHMFNQO-OAQYLSRUSA-N 2 0 374.573 3.450 20 0 FGADRP C[NH+](C)C[C@@H]1CCN(C(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)C1 ZINC000129785343 495295307 /nfs/dbraw/zinc/29/53/07/495295307.db2.gz OVSKQJBQADSUDU-NRFANRHFSA-N 2 0 372.557 3.156 20 0 FGADRP O=C(C[N@H+](C1CC1)[C@@H]1CCCc2ccccc21)NC1CC[NH+](C2CC2)CC1 ZINC000104676294 495296881 /nfs/dbraw/zinc/29/68/81/495296881.db2.gz VJSSWPOAXFZJDV-JOCHJYFZSA-N 2 0 367.537 3.271 20 0 FGADRP COc1ccnc(N2CCN(Cc3cc(-c4ccc(C)cc4)no3)CC2)c1 ZINC000104716951 495300314 /nfs/dbraw/zinc/30/03/14/495300314.db2.gz YWYAPFMQTZKQFR-UHFFFAOYSA-N 2 0 364.449 3.376 20 0 FGADRP CC(C)[NH+](CCNC(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1)C(C)C ZINC000113578031 495316065 /nfs/dbraw/zinc/31/60/65/495316065.db2.gz PUIFVYVGQTVTRE-UHFFFAOYSA-N 2 0 374.573 3.411 20 0 FGADRP CN(C(=O)NCCCC[NH+]1CCCC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000113592850 495318458 /nfs/dbraw/zinc/31/84/58/495318458.db2.gz UXLWNKHMLFSNKB-UHFFFAOYSA-N 2 0 372.557 3.168 20 0 FGADRP C[NH+]1CCC(C[NH2+][C@H]2CCCOc3ccccc32)(N2CCCCC2)CC1 ZINC000124725338 495333183 /nfs/dbraw/zinc/33/31/83/495333183.db2.gz FJYQBPPVNNXHIC-FQEVSTJZSA-N 2 0 357.542 3.440 20 0 FGADRP CC1CC[NH+](Cc2ccccc2CNC(=O)N2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000105112918 495338002 /nfs/dbraw/zinc/33/80/02/495338002.db2.gz JKUBTRCJRPBSFD-NRFANRHFSA-N 2 0 372.557 3.154 20 0 FGADRP COc1cc([C@@H](C)[NH2+][C@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)ccn1 ZINC000568778395 505775922 /nfs/dbraw/zinc/77/59/22/505775922.db2.gz DQRRXHAPFIGTEW-HZPDHXFCSA-N 2 0 372.488 3.393 20 0 FGADRP O=C(C[N@@H+]1CCCCC[C@@H]1c1ccccc1)NC1CC[NH+](C2CC2)CC1 ZINC000120315158 495350430 /nfs/dbraw/zinc/35/04/30/495350430.db2.gz BCSJQOSIDALWFS-OAQYLSRUSA-N 2 0 355.526 3.347 20 0 FGADRP [NH3+]C[C@H](NC(=O)NC1CC[NH+](CC2CC2)CC1)c1ccc2ccccc2c1 ZINC000571625306 505776256 /nfs/dbraw/zinc/77/62/56/505776256.db2.gz KUJPFEYWMIKRCG-NRFANRHFSA-N 2 0 366.509 3.013 20 0 FGADRP COc1ccc([C@@H](C)[C@@H](C)[NH2+]Cc2ccc(N3CC[NH+](C)CC3)nc2)cc1 ZINC000130507139 495402717 /nfs/dbraw/zinc/40/27/17/495402717.db2.gz MYHPGWKFMODXTE-ZWKOTPCHSA-N 2 0 368.525 3.124 20 0 FGADRP CC(C)CC[NH+]1CCC(CNC(=O)NC2CCC(C[NH+](C)C)CC2)CC1 ZINC000125326575 495427231 /nfs/dbraw/zinc/42/72/31/495427231.db2.gz HZWMETUXLABQAB-UHFFFAOYSA-N 2 0 366.594 3.164 20 0 FGADRP CC[C@H]([NH2+]CCCC[NH+]1CCN(c2cccc(C)c2)CC1)[C@H]1CCOC1 ZINC000125334601 495428252 /nfs/dbraw/zinc/42/82/52/495428252.db2.gz GMXHKNTZKKVFQB-UNMCSNQZSA-N 2 0 359.558 3.302 20 0 FGADRP COCCOc1ccc([C@H](C)[NH2+]CCC2CC[NH+](C)CC2)cc1OC ZINC000125365245 495432808 /nfs/dbraw/zinc/43/28/08/495432808.db2.gz MNTCXPXOMRUZFC-INIZCTEOSA-N 2 0 350.503 3.103 20 0 FGADRP C[C@@H]1C[C@@H](NC(=O)NC2CCC(C[NH+](C)C)CC2)C[N@@H+]1Cc1ccccc1 ZINC000125409535 495440205 /nfs/dbraw/zinc/44/02/05/495440205.db2.gz RFTMEXBLIQFFGY-WYNBGMTASA-N 2 0 372.557 3.069 20 0 FGADRP C[N@H+](C[C@@H](O)CN[C@H]1CCOc2c(-c3ccccc3)cccc21)C1CC1 ZINC000580543614 505782872 /nfs/dbraw/zinc/78/28/72/505782872.db2.gz LMFBAAUUAIOWHC-RXVVDRJESA-N 2 0 352.478 3.222 20 0 FGADRP CCOc1ccc(NC(=O)CC[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000137683520 495448227 /nfs/dbraw/zinc/44/82/27/495448227.db2.gz MHWBETGXKUJYNO-GOSISDBHSA-N 2 0 359.514 3.222 20 0 FGADRP C[C@@H](C[NH2+][C@@H]1CCCOc2c(Cl)cccc21)CN1CC[NH+](C)CC1 ZINC000120848310 495470165 /nfs/dbraw/zinc/47/01/65/495470165.db2.gz YGQMDCVNAYKGMX-MAUKXSAKSA-N 2 0 351.922 3.027 20 0 FGADRP CC[N@@H+]1CC[C@H]([NH+](C)CCC(=O)N[C@@H]2CCCc3ccccc32)[C@H](C)C1 ZINC000125780004 495498309 /nfs/dbraw/zinc/49/83/09/495498309.db2.gz QUXIOYOCXJCRMT-UIFIKXQLSA-N 2 0 357.542 3.232 20 0 FGADRP C[NH+](C)CCCOc1ccc(NC(=O)c2ccc(C[NH+](C)C)cc2)cc1 ZINC000107193513 495523324 /nfs/dbraw/zinc/52/33/24/495523324.db2.gz KSZNKPBQDYOZJI-UHFFFAOYSA-N 2 0 355.482 3.331 20 0 FGADRP CCC[NH+]1CCC([N@H+](C)C[C@@H](O)COc2cc(C)ccc2Cl)CC1 ZINC000182438501 495563973 /nfs/dbraw/zinc/56/39/73/495563973.db2.gz QYYZEJZEBNQVJH-QGZVFWFLSA-N 2 0 354.922 3.194 20 0 FGADRP COC[C@@H]([NH2+]Cc1cccc(OCC[NH+](C)C)c1)c1ccc(F)c(F)c1 ZINC000182487869 495583020 /nfs/dbraw/zinc/58/30/20/495583020.db2.gz FGXLOCIJDCVSRN-HXUWFJFHSA-N 2 0 364.436 3.383 20 0 FGADRP C[C@@H]1C[N@@H+](Cc2ccc(C[NH2+]Cc3cc(O)cc(F)c3)cc2)C[C@H](C)O1 ZINC000185458195 495584517 /nfs/dbraw/zinc/58/45/17/495584517.db2.gz KFZXYRBMLYJBRK-IYBDPMFKSA-N 2 0 358.457 3.430 20 0 FGADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC(C(=O)N(Cc2ccccc2)C2CC2)CC1 ZINC000179471813 495605348 /nfs/dbraw/zinc/60/53/48/495605348.db2.gz QEMDMRRLAQIRSC-OAQYLSRUSA-N 2 0 369.553 3.374 20 0 FGADRP CCc1cc(N2CCC([NH2+]C3CC[NH+](C4CCCCC4)CC3)CC2)ncn1 ZINC000159022955 495639414 /nfs/dbraw/zinc/63/94/14/495639414.db2.gz YBBUTINJBVQWSK-UHFFFAOYSA-N 2 0 371.573 3.395 20 0 FGADRP CCN1CC[NH+](CCCC[NH2+][C@@H](C)c2ccc(SC)c(OC)c2)CC1 ZINC000154520449 495641622 /nfs/dbraw/zinc/64/16/22/495641622.db2.gz OAZJKXQOIXHZCR-KRWDZBQOSA-N 2 0 365.587 3.485 20 0 FGADRP CC(C)[NH+](CCCNC(=O)N[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)C(C)C ZINC000182683712 495663606 /nfs/dbraw/zinc/66/36/06/495663606.db2.gz PZGZFRWAUUOHOG-RTBURBONSA-N 2 0 366.594 3.448 20 0 FGADRP C[C@H]([NH2+]C[C@H](O)COc1ccc(Cl)cc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185662548 495667986 /nfs/dbraw/zinc/66/79/86/495667986.db2.gz HPHGWECGPKZWOY-BXWFABGCSA-N 2 0 366.933 3.322 20 0 FGADRP C[C@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)c1cc2c(s1)CCC2 ZINC000159169640 495675080 /nfs/dbraw/zinc/67/50/80/495675080.db2.gz GJLXMAICRFZEBF-HNNXBMFYSA-N 2 0 356.539 3.234 20 0 FGADRP Cc1cccc(C)c1OC[C@H](O)C[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185719674 495696263 /nfs/dbraw/zinc/69/62/63/495696263.db2.gz CNXCTTLTEWITGR-SFHLNBCPSA-N 2 0 360.542 3.286 20 0 FGADRP CCC[NH+]1CCC(N(C)C(=O)NCCCC[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000171040162 495699147 /nfs/dbraw/zinc/69/91/47/495699147.db2.gz WHLHWGHLWWUADA-SFHVURJKSA-N 2 0 352.567 3.014 20 0 FGADRP CC[NH+](CC)CCCC1CC[NH+](Cc2cc(=O)n3ccccc3n2)CC1 ZINC000182782155 495700178 /nfs/dbraw/zinc/70/01/78/495700178.db2.gz BBFHIQFEGMSOLZ-UHFFFAOYSA-N 2 0 356.514 3.029 20 0 FGADRP CCC[NH+]1CCC(N(C)C(=O)NCC(C)(C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000171049410 495702444 /nfs/dbraw/zinc/70/24/44/495702444.db2.gz MUJAIFLBBADEEI-KRWDZBQOSA-N 2 0 352.567 3.013 20 0 FGADRP C[C@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1cccc(OC(F)(F)F)c1 ZINC000150999951 495707584 /nfs/dbraw/zinc/70/75/84/495707584.db2.gz SEHVDDSZHHTYIW-AWEZNQCLSA-N 2 0 359.436 3.262 20 0 FGADRP COc1ccc(NC(=O)CC[NH2+][C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cc1 ZINC000185755577 495712371 /nfs/dbraw/zinc/71/23/71/495712371.db2.gz MXLINANZBFGRMP-SJORKVTESA-N 2 0 359.514 3.266 20 0 FGADRP C[C@@H]([NH2+]Cc1ccc(N2CCCC2)nc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000151034771 495718010 /nfs/dbraw/zinc/71/80/10/495718010.db2.gz CSFJNBXHVCSRMT-GOSISDBHSA-N 2 0 368.525 3.473 20 0 FGADRP C[NH+]1CCN(CCC(C)(C)[NH2+]Cc2cc(F)cc(C(F)(F)F)c2)CC1 ZINC000185887775 495765430 /nfs/dbraw/zinc/76/54/30/495765430.db2.gz XMOUKMBEXWIUQF-UHFFFAOYSA-N 2 0 361.427 3.350 20 0 FGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(F)c(COC)c2)[C@H](C)C1 ZINC000151195096 495768307 /nfs/dbraw/zinc/76/83/07/495768307.db2.gz LERMQLYTIREVEL-OXQOHEQNSA-N 2 0 352.494 3.199 20 0 FGADRP Cc1ccc(NC(=O)C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)cc1C ZINC000182954963 495773507 /nfs/dbraw/zinc/77/35/07/495773507.db2.gz AHVJKLNRYUQIDZ-UHFFFAOYSA-N 2 0 373.541 3.066 20 0 FGADRP CC[NH+]1CCN([C@@H](C)C[NH2+]Cc2ccc(-c3ccccc3)cc2OC)CC1 ZINC000183045921 495812079 /nfs/dbraw/zinc/81/20/79/495812079.db2.gz WJQSEFRFHJKFTE-IBGZPJMESA-N 2 0 367.537 3.478 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N1CC[C@H](C[NH+]2CCCC2)C1)c1ccccc1 ZINC000174118080 495825829 /nfs/dbraw/zinc/82/58/29/495825829.db2.gz PSCVQANIELDCDU-TZIWHRDSSA-N 2 0 372.557 3.197 20 0 FGADRP CCC(CC)[C@H](CNC(=O)N1CC[C@H](C[NH+]2CCCC2)C1)[NH+]1CCCC1 ZINC000174142149 495835502 /nfs/dbraw/zinc/83/55/02/495835502.db2.gz AHGYHAQMTFLPRM-QUCCMNQESA-N 2 0 364.578 3.014 20 0 FGADRP CCCCOc1ccc([C@H](C)[NH2+][C@H](C)CN2CC[NH+](C)CC2)cc1OC ZINC000155100803 495835869 /nfs/dbraw/zinc/83/58/69/495835869.db2.gz SXLUFEAAGWKIQW-MSOLQXFVSA-N 2 0 363.546 3.161 20 0 FGADRP CC(C)CNC(=O)[C@@H](C)[NH2+]Cc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000174154926 495840154 /nfs/dbraw/zinc/84/01/54/495840154.db2.gz CQLMXFJLXVYBCU-QGZVFWFLSA-N 2 0 357.498 3.162 20 0 FGADRP C[C@H](O)c1ccc(C[NH2+]Cc2c(Cl)cccc2N2CC[NH+](C)CC2)cc1 ZINC000180093750 495855201 /nfs/dbraw/zinc/85/52/01/495855201.db2.gz ODJFDMKUEGEEFS-INIZCTEOSA-N 2 0 373.928 3.435 20 0 FGADRP Cc1cccc2c1CC[C@H]2[NH2+]Cc1cccc(OCCN2CCOCC2)c1 ZINC000155154534 495855764 /nfs/dbraw/zinc/85/57/64/495855764.db2.gz PLECSCOGKFVZRW-HSZRJFAPSA-N 2 0 366.505 3.483 20 0 FGADRP CCNC(=O)C(C)(C)C[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000183160059 495860466 /nfs/dbraw/zinc/86/04/66/495860466.db2.gz NIOQFGQOFDNZPC-SLFFLAALSA-N 2 0 357.542 3.039 20 0 FGADRP CCN1CC[NH+](CCCC[NH2+][C@H]2CCc3[nH]c4ccc(C)cc4c3C2)CC1 ZINC000180110839 495862630 /nfs/dbraw/zinc/86/26/30/495862630.db2.gz GUAQTQOZFSKUIC-IBGZPJMESA-N 2 0 368.569 3.341 20 0 FGADRP CC[N@H+](Cc1ccc(C(=O)N2CC[C@H]3[C@H](CCC[NH+]3C)C2)cc1)C1CC1 ZINC000155193126 495869340 /nfs/dbraw/zinc/86/93/40/495869340.db2.gz CCRMSJVREGVPLY-CTNGQTDRSA-N 2 0 355.526 3.227 20 0 FGADRP Cc1ccccc1[C@H]1C[C@H](C)[N@H+](CC(=O)NC2CC[NH+](C(C)C)CC2)C1 ZINC000155229716 495883808 /nfs/dbraw/zinc/88/38/08/495883808.db2.gz HEUYLGKFNPNHTD-OALUTQOASA-N 2 0 357.542 3.162 20 0 FGADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)N1CC[C@@H](C[NH+]2CCCC2)C1)c1ccccc1 ZINC000174259553 495885927 /nfs/dbraw/zinc/88/59/27/495885927.db2.gz JIUCQECJQQAJDB-MOPGFXCFSA-N 2 0 372.557 3.243 20 0 FGADRP c1ccc(N2CC[NH+](Cc3ccccc3C[NH2+]C3CCOCC3)CC2)cc1 ZINC000174266750 495888357 /nfs/dbraw/zinc/88/83/57/495888357.db2.gz IFIXNTQXROWXRJ-UHFFFAOYSA-N 2 0 365.521 3.277 20 0 FGADRP Cc1nn(C)c(C)c1C[C@H](C)[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000180168089 495889521 /nfs/dbraw/zinc/88/95/21/495889521.db2.gz FVVMZCTVRZRYIV-CISPJPAASA-N 2 0 366.553 3.468 20 0 FGADRP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3ccc(SC(F)F)cc3)C2)CC1 ZINC000171527691 495915074 /nfs/dbraw/zinc/91/50/74/495915074.db2.gz RAOCFMIUIDXZEN-INIZCTEOSA-N 2 0 355.498 3.213 20 0 FGADRP C[C@@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)c1cccc(F)c1F ZINC000183300194 495921456 /nfs/dbraw/zinc/92/14/56/495921456.db2.gz HSVGUUHBDCEWJP-CQSZACIVSA-N 2 0 361.436 3.107 20 0 FGADRP Cc1ccc([C@@H](CNC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)[NH+](C)C)cc1 ZINC000174383650 495934584 /nfs/dbraw/zinc/93/45/84/495934584.db2.gz XMMJCZKGNYRMIF-QHAWAJNXSA-N 2 0 372.557 3.254 20 0 FGADRP C[N@@H+]1CCC[C@H](CNCc2cc(Cl)ccc2OC[C@@H]2CCCO2)C1 ZINC000174422520 495951498 /nfs/dbraw/zinc/95/14/98/495951498.db2.gz MFEMGYRPWJGQFF-QAPCUYQASA-N 2 0 352.906 3.329 20 0 FGADRP C[C@H]([NH2+]CC1CC[NH+](CCO)CC1)c1cc(Cl)ccc1OC(F)F ZINC000151863649 495973492 /nfs/dbraw/zinc/97/34/92/495973492.db2.gz HAIHPCLEQNDTGD-LBPRGKRZSA-N 2 0 362.848 3.296 20 0 FGADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H](COC)c2cccc(C(F)(F)F)c2)CC1 ZINC000155677221 496033819 /nfs/dbraw/zinc/03/38/19/496033819.db2.gz YIUCWVMIYOKKAN-CRAIPNDOSA-N 2 0 373.463 3.009 20 0 FGADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H](C)c2cccc(OC(F)(F)F)c2)CC1 ZINC000155744816 496054821 /nfs/dbraw/zinc/05/48/21/496054821.db2.gz WJGFHQOCYRCFIU-GJZGRUSLSA-N 2 0 359.436 3.262 20 0 FGADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1nc(-c2ccccc2)cs1 ZINC000186602878 496068996 /nfs/dbraw/zinc/06/89/96/496068996.db2.gz CYKWEBLFONFEEF-IRXDYDNUSA-N 2 0 358.555 3.487 20 0 FGADRP C[C@H]([NH2+]C(C)(C)CNC(=O)N(C)CCCn1ccnc1)c1ccccc1 ZINC000152318212 496115424 /nfs/dbraw/zinc/11/54/24/496115424.db2.gz PZGPYCUSXFMWCT-KRWDZBQOSA-N 2 0 357.502 3.044 20 0 FGADRP C[NH+](C)[C@H](CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)c1cccc(F)c1 ZINC000177600626 496127335 /nfs/dbraw/zinc/12/73/35/496127335.db2.gz DUAQIQZILNMYBO-YLJYHZDGSA-N 2 0 361.505 3.199 20 0 FGADRP C[C@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)c1ccc(OCc2nccn2C)cc1 ZINC000152408641 496142477 /nfs/dbraw/zinc/14/24/77/496142477.db2.gz SNXNWZLJSAPHCF-DLBZAZTESA-N 2 0 354.498 3.134 20 0 FGADRP C[NH+](C)CC[C@@H](NC(=O)NC1CC[NH+](CC2CCCC2)CC1)C(C)(C)C ZINC000172119043 496173116 /nfs/dbraw/zinc/17/31/16/496173116.db2.gz LNYSDSUHVHWFBI-LJQANCHMSA-N 2 0 366.594 3.307 20 0 FGADRP CN(CC[N@H+](C)CCc1cccc(OC(F)(F)F)c1)C1CC[NH+](C)CC1 ZINC000180934010 496205609 /nfs/dbraw/zinc/20/56/09/496205609.db2.gz CBSFQPWGMIXMAZ-UHFFFAOYSA-N 2 0 373.463 3.086 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)N1CC[C@H](C[N@@H+](C)CC)C1)c1ccccc1 ZINC000177843002 496219403 /nfs/dbraw/zinc/21/94/03/496219403.db2.gz SHLLUSFXJUAENP-QUCCMNQESA-N 2 0 360.546 3.053 20 0 FGADRP CC(C)[C@H](CNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)[NH+]1CCC(C)CC1 ZINC000175064081 496233362 /nfs/dbraw/zinc/23/33/62/496233362.db2.gz VMVJXFJLEWRKNX-NXEWRWPSSA-N 2 0 364.578 3.057 20 0 FGADRP C[NH+](C)CCNC(=O)c1ccc(C[NH2+][C@H]2CCCc3ccccc32)cc1 ZINC000180998360 496234462 /nfs/dbraw/zinc/23/44/62/496234462.db2.gz JMPQSSMURWOYJP-NRFANRHFSA-N 2 0 351.494 3.145 20 0 FGADRP CCNC(=O)c1cccc(C[NH2+][C@@H](C)c2cccc(OCC[NH+](C)C)c2)c1 ZINC000177881746 496236342 /nfs/dbraw/zinc/23/63/42/496236342.db2.gz XCFUHBNPBYNEOV-KRWDZBQOSA-N 2 0 369.509 3.228 20 0 FGADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]C[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000156474064 496256166 /nfs/dbraw/zinc/25/61/66/496256166.db2.gz KXMCIIIYUGQGBZ-VKJFTORMSA-N 2 0 366.347 3.205 20 0 FGADRP COc1ccc(OC)c([C@@H](C)[NH2+]C2CCN(CCc3ccncc3)CC2)c1 ZINC000152818276 496265084 /nfs/dbraw/zinc/26/50/84/496265084.db2.gz QWCWBAJOUPBEKQ-QGZVFWFLSA-N 2 0 369.509 3.457 20 0 FGADRP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000175197287 496288202 /nfs/dbraw/zinc/28/82/02/496288202.db2.gz NAOCGWJEUANHOO-FQEVSTJZSA-N 2 0 359.514 3.014 20 0 FGADRP COc1ccc(OC)c([C@H](C)[NH2+]CCCC[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC000178034131 496298175 /nfs/dbraw/zinc/29/81/75/496298175.db2.gz OXAHTTPRAWSVII-ULQDDVLXSA-N 2 0 350.503 3.244 20 0 FGADRP C[C@H]1CCCN(CC[NH2+]C2CCN(C(=O)c3ccc(Cl)cc3)CC2)C1 ZINC000156699076 496313438 /nfs/dbraw/zinc/31/34/38/496313438.db2.gz XBBPUSWSPYRQIZ-INIZCTEOSA-N 2 0 363.933 3.266 20 0 FGADRP CC(C)CC[NH+]1CCC(CNC(=O)NCc2ccc(C[NH+](C)C)cc2)CC1 ZINC000175325937 496340452 /nfs/dbraw/zinc/34/04/52/496340452.db2.gz ZOVXXEOTBHZOHN-UHFFFAOYSA-N 2 0 374.573 3.306 20 0 FGADRP C[C@H]([NH2+]Cc1cccc(OCC[NH+](C)C)c1)c1ccc2c(c1)OCCO2 ZINC000162567964 496374279 /nfs/dbraw/zinc/37/42/79/496374279.db2.gz QKNXNRLWAMLGPG-INIZCTEOSA-N 2 0 356.466 3.249 20 0 FGADRP COc1ccc([C@H](C)[NH2+]C2CC[NH+](CC3CC3)CC2)cc1Cn1cccn1 ZINC000178256811 496389086 /nfs/dbraw/zinc/38/90/86/496389086.db2.gz DCXFHVMGZYELKT-KRWDZBQOSA-N 2 0 368.525 3.465 20 0 FGADRP CCCC[N@H+](C)CC1CC[NH+](Cc2cc(-c3cnn(C)c3C)no2)CC1 ZINC000184457494 496391475 /nfs/dbraw/zinc/39/14/75/496391475.db2.gz VIADOYOGMQTHEV-UHFFFAOYSA-N 2 0 359.518 3.327 20 0 FGADRP Cc1cccc2c1[C@H](C)C[C@H]2[NH2+]Cc1cccnc1N1CC[NH+](C)CC1 ZINC000153264807 496402336 /nfs/dbraw/zinc/40/23/36/496402336.db2.gz NXOKVMFYHAAQRB-YLJYHZDGSA-N 2 0 350.510 3.480 20 0 FGADRP C[N@@H+]1CCC[C@H]2C[NH+](CCC(=O)Nc3cccc(C(F)(F)F)c3)CC[C@@H]21 ZINC000162790961 496412686 /nfs/dbraw/zinc/41/26/86/496412686.db2.gz MUNZTAFGWCGYOS-YOEHRIQHSA-N 2 0 369.431 3.450 20 0 FGADRP CC1(C)[C@H]([NH2+]CCCC[NH+]2CCN(c3ccccc3)CC2)[C@H]2CCCO[C@@H]21 ZINC000181585967 496457507 /nfs/dbraw/zinc/45/75/07/496457507.db2.gz GARLKEJVWVKZJZ-VSKRKVRLSA-N 2 0 371.569 3.382 20 0 FGADRP [NH3+][C@H]1CCCO[C@@H]1C1CC[NH+](Cc2cccc(-c3ccncc3)c2)CC1 ZINC000580821509 505845531 /nfs/dbraw/zinc/84/55/31/505845531.db2.gz WJEVLECQWUBJRB-FCHUYYIVSA-N 2 0 351.494 3.467 20 0 FGADRP Cc1ccc([C@H](C[NH2+]Cc2ccc3c(c2)NC(=O)CO3)N2CCCC2)cc1 ZINC000578033696 505846584 /nfs/dbraw/zinc/84/65/84/505846584.db2.gz MGKYZCKCJJICAW-FQEVSTJZSA-N 2 0 365.477 3.253 20 0 FGADRP CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)C12CCC2 ZINC000181707614 496511472 /nfs/dbraw/zinc/51/14/72/496511472.db2.gz JVPCDIOHDOFWLP-LEWJYISDSA-N 2 0 358.526 3.081 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(C)c(F)c1 ZINC000157691600 496530066 /nfs/dbraw/zinc/53/00/66/496530066.db2.gz FDNOSUTYAGOLHU-QGZVFWFLSA-N 2 0 350.482 3.014 20 0 FGADRP C[C@@H](C(=O)N(C)CC1CCN(c2cc[nH+]cc2)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000153671131 496539499 /nfs/dbraw/zinc/53/94/99/496539499.db2.gz PPGSNPWODNXXJJ-KURKYZTESA-N 2 0 358.530 3.018 20 0 FGADRP CC[C@H](C)[N@H+](C)CC(=O)NC[C@@H](c1ccc(OC)cc1)[NH+]1CCCCC1 ZINC000178734797 496555130 /nfs/dbraw/zinc/55/51/30/496555130.db2.gz HVYOQAROHXLSPY-PXNSSMCTSA-N 2 0 361.530 3.069 20 0 FGADRP CC1(C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)CC[NH+](Cc2ccccc2)CC1 ZINC000157843972 496569018 /nfs/dbraw/zinc/56/90/18/496569018.db2.gz BNEXIBBCFJSODY-NRFANRHFSA-N 2 0 369.553 3.376 20 0 FGADRP C[C@@H](CC1CCOCC1)[NH2+]CCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000163938014 496571627 /nfs/dbraw/zinc/57/16/27/496571627.db2.gz FFCUYCLKMMPHMC-NRFANRHFSA-N 2 0 373.585 3.379 20 0 FGADRP c1ccc(-c2noc([C@@]34CCC[C@@H]3C[N@@H+](CC[C@@H]3CCC[NH2+]C3)C4)n2)cc1 ZINC000569096147 505852535 /nfs/dbraw/zinc/85/25/35/505852535.db2.gz NQIAFIWHEJVCNR-LRXVAGHRSA-N 2 0 366.509 3.480 20 0 FGADRP CCO[C@@H]1C[C@H]([NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)C12CCCC2 ZINC000181860780 496575941 /nfs/dbraw/zinc/57/59/41/496575941.db2.gz OSBTWVQFOPOYBB-FCHUYYIVSA-N 2 0 372.553 3.471 20 0 FGADRP CCC1(CC)[C@H](OC)C[C@@H]1[NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1 ZINC000181861207 496575973 /nfs/dbraw/zinc/57/59/73/496575973.db2.gz WLNRYQPJAVHFQF-LEWJYISDSA-N 2 0 360.542 3.327 20 0 FGADRP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1)c1ccc(NS(C)(=O)=O)cc1 ZINC000157927465 496587480 /nfs/dbraw/zinc/58/74/80/496587480.db2.gz GPKRMQJBXLKKHC-SJORKVTESA-N 2 0 367.559 3.221 20 0 FGADRP COc1ccc([C@H](C)[NH2+]Cc2ccccc2CN2CCOCC2)cc1OC ZINC000173299837 496631698 /nfs/dbraw/zinc/63/16/98/496631698.db2.gz WMRXOGSAHZIBPF-KRWDZBQOSA-N 2 0 370.493 3.387 20 0 FGADRP CC(C)CO[C@@H]1C[C@H]([NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)C1(C)C ZINC000182029208 496640844 /nfs/dbraw/zinc/64/08/44/496640844.db2.gz HBTHVPBVOQDKAK-FUMNGEBKSA-N 2 0 352.563 3.184 20 0 FGADRP C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000158231486 496655608 /nfs/dbraw/zinc/65/56/08/496655608.db2.gz JVSOLXFYFNBWEB-KBPBESRZSA-N 2 0 368.319 3.098 20 0 FGADRP CC[NH+](CC)Cc1cccc(C[NH2+][C@@H]2CCCN(CC(F)(F)F)C2=O)c1 ZINC000158238233 496658572 /nfs/dbraw/zinc/65/85/72/496658572.db2.gz UHGIXKGNAHXNDE-QGZVFWFLSA-N 2 0 371.447 3.171 20 0 FGADRP CC(C)[N@@H+](C)C[C@H](C)NC(=O)NCC[C@@H]1C[C@@H](C)[NH+](Cc2ccccc2)C1 ZINC000571967972 505857812 /nfs/dbraw/zinc/85/78/12/505857812.db2.gz QLDYKGDXKBDXKH-QKNQBKEWSA-N 2 0 374.573 3.315 20 0 FGADRP COc1ccccc1C[C@H](C)[NH2+][C@H]1CN(Cc2ccccc2)CC[C@@H]1CO ZINC000154051698 496668626 /nfs/dbraw/zinc/66/86/26/496668626.db2.gz CFFNAVBIXYSLRE-BWAGFHJFSA-N 2 0 368.521 3.099 20 0 FGADRP [NH3+][C@@H](C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1)c1ccccc1 ZINC000166408537 496686683 /nfs/dbraw/zinc/68/66/83/496686683.db2.gz JEDSZCFXFVSHME-OAQYLSRUSA-N 2 0 351.494 3.379 20 0 FGADRP CN(C(=O)[C@H]1CCCCCC[C@H]1[NH3+])C1CC[NH+](Cc2ccccc2)CC1 ZINC000167669720 496704859 /nfs/dbraw/zinc/70/48/59/496704859.db2.gz GHOKALGSBKXGDT-LEWJYISDSA-N 2 0 357.542 3.407 20 0 FGADRP C[NH+]1CCN(c2ncccc2C[NH2+][C@H]2CCSc3ccccc32)CC1 ZINC000158455905 496706295 /nfs/dbraw/zinc/70/62/95/496706295.db2.gz SLACOFKZZFYSRQ-SFHVURJKSA-N 2 0 354.523 3.160 20 0 FGADRP CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000168705587 496712059 /nfs/dbraw/zinc/71/20/59/496712059.db2.gz DCWPGLQAMCKKRB-IRLDBZIGSA-N 2 0 365.521 3.447 20 0 FGADRP CN(CC[N@H+](C)C1CC1)C(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000185294014 496725289 /nfs/dbraw/zinc/72/52/89/496725289.db2.gz CQPOLUKWBHJVMF-UHFFFAOYSA-N 2 0 372.557 3.298 20 0 FGADRP CSc1ccccc1[C@H](C)[NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000194853255 496736201 /nfs/dbraw/zinc/73/62/01/496736201.db2.gz AELSOBYMLJBKIZ-INIZCTEOSA-N 2 0 356.539 3.406 20 0 FGADRP C[C@@H]1CCC[C@](CN[C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)([NH+](C)C)C1 ZINC000246963638 496737120 /nfs/dbraw/zinc/73/71/20/496737120.db2.gz ISYUDJDHXJYBNZ-WKDRNLAYSA-N 3 0 358.574 3.392 20 0 FGADRP C[C@@H]([NH2+]CCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1ccc(NS(C)(=O)=O)cc1 ZINC000247049350 496762863 /nfs/dbraw/zinc/76/28/63/496762863.db2.gz NDKSUOAMZLCBDZ-BRWVUGGUSA-N 2 0 367.559 3.077 20 0 FGADRP CC(C)[NH+]1CCN(CCC[N@@H+](Cc2ccccc2)C[C@@H]2CCCO2)CC1 ZINC000191459165 496770543 /nfs/dbraw/zinc/77/05/43/496770543.db2.gz JDIJGFZLCPARCE-QFIPXVFZSA-N 2 0 359.558 3.084 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H]1CCN(CC(F)(F)F)C1 ZINC000268748900 496772799 /nfs/dbraw/zinc/77/27/99/496772799.db2.gz BQNNFMYYMBYKAN-NZSAHSFTSA-N 2 0 369.475 3.371 20 0 FGADRP CCOc1ccc(C2(C[NH2+][C@@H]3CC[N@H+](CC)C[C@@H]3C)CCOCC2)cc1 ZINC000247101503 496779171 /nfs/dbraw/zinc/77/91/71/496779171.db2.gz QBEICWUFLSVNRT-GHTZIAJQSA-N 2 0 360.542 3.453 20 0 FGADRP OCC1(C[N@@H+]2CCCCC[C@@H]2C2CC[NH+](Cc3ccccc3)CC2)COC1 ZINC000572000715 505866377 /nfs/dbraw/zinc/86/63/77/505866377.db2.gz GOKLFDOGEVFMQE-JOCHJYFZSA-N 2 0 372.553 3.152 20 0 FGADRP C[C@H](Cn1cc(Br)cn1)[NH2+]CCCC[N@@H+]1CCC[C@H](C)C1 ZINC000247177275 496799837 /nfs/dbraw/zinc/79/98/37/496799837.db2.gz UYOADKHDJJBDAD-LSDHHAIUSA-N 2 0 357.340 3.136 20 0 FGADRP O[C@@H]1CC[N@H+](Cc2ccccc2C[NH2+]Cc2ccc(OCC3CC3)cc2)C1 ZINC000191580989 496820494 /nfs/dbraw/zinc/82/04/94/496820494.db2.gz KZPKERVYJKYOCW-JOCHJYFZSA-N 2 0 366.505 3.332 20 0 FGADRP Cc1ccc(C[C@H](CO)[NH2+][C@H](C)c2cccc(OCC[NH+](C)C)c2)cc1 ZINC000191585088 496821807 /nfs/dbraw/zinc/82/18/07/496821807.db2.gz UTGRFLAPZSKNJW-WIYYLYMNSA-N 2 0 356.510 3.190 20 0 FGADRP C[C@H]([NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(-n2cncn2)cc1 ZINC000195134452 496830884 /nfs/dbraw/zinc/83/08/84/496830884.db2.gz GDGJNBQPUYRTAG-AZUAARDMSA-N 2 0 361.493 3.440 20 0 FGADRP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000247310464 496831698 /nfs/dbraw/zinc/83/16/98/496831698.db2.gz HCOZWWHFXSNNHL-IYWMVGAKSA-N 2 0 364.578 3.013 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N(C)[C@H](C)C1CC[NH+](C)CC1)c1ccco1 ZINC000273580824 496845765 /nfs/dbraw/zinc/84/57/65/496845765.db2.gz KDFCAZLYWWSMFG-SJLPKXTDSA-N 2 0 364.534 3.034 20 0 FGADRP CCc1ccc([C@H](C)NC(=O)[C@@H](C)N2CC[C@@H](C[NH+](CC)CC)C2)cc1 ZINC000247542963 496883993 /nfs/dbraw/zinc/88/39/93/496883993.db2.gz PGTSEHFBHCOZOB-NSHGMRRFSA-N 2 0 359.558 3.478 20 0 FGADRP Cc1cc2ncn(C[C@@H](O)CN3CCO[C@@H](c4cccs4)C3)c2cc1C ZINC000247672384 496904151 /nfs/dbraw/zinc/90/41/51/496904151.db2.gz YSGXFUFOGGCHLA-QFBILLFUSA-N 2 0 371.506 3.149 20 0 FGADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+][C@H]1CCN(c2ccccc2Br)C1 ZINC000247926059 496929266 /nfs/dbraw/zinc/92/92/66/496929266.db2.gz BPKYNMPBLQHKHR-AIANPOQGSA-N 2 0 366.347 3.346 20 0 FGADRP c1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH2+]CCCOC[C@H]4CCCO4)[C@H]3C2)cc1 ZINC000248397332 496994550 /nfs/dbraw/zinc/99/45/50/496994550.db2.gz HYDIJNPXJDXMFD-BJESRGMDSA-N 2 0 372.553 3.462 20 0 FGADRP c1[nH]nc2c1C[C@H]([NH2+][C@H]1CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]31)CC2 ZINC000248410868 497000941 /nfs/dbraw/zinc/00/09/41/497000941.db2.gz YPCYKCWHVFPUCA-UFGBVDADSA-N 2 0 350.510 3.157 20 0 FGADRP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1ccccc1N(C)C ZINC000248436017 497009823 /nfs/dbraw/zinc/00/98/23/497009823.db2.gz GBSTXZGQISLZAM-YLJYHZDGSA-N 2 0 353.510 3.170 20 0 FGADRP CC(C)CO[C@@H]1C[C@H]([NH2+]Cc2ccccc2C[N@@H+]2CC[C@@H](O)C2)C1(C)C ZINC000248436670 497011986 /nfs/dbraw/zinc/01/19/86/497011986.db2.gz GKMHBVQJGOYVIM-QHAWAJNXSA-N 2 0 360.542 3.183 20 0 FGADRP FC(F)(F)Oc1cccc(N2CC[C@H]([NH2+][C@@H]3CC[N@@H+]4CCC[C@H]4C3)C2)c1 ZINC000269973194 497035444 /nfs/dbraw/zinc/03/54/44/497035444.db2.gz OUZNOCZXTHIANO-PMPSAXMXSA-N 2 0 369.431 3.380 20 0 FGADRP COc1cc([C@@H](C)[NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)ccc1OC(F)F ZINC000278371216 497091880 /nfs/dbraw/zinc/09/18/80/497091880.db2.gz BXCLYNHXNDZCCE-HUUCEWRRSA-N 2 0 372.456 3.448 20 0 FGADRP C[N@@H+]1CCC[C@H](CNC(=O)C2CC[NH+](C3CC3)CC2)[C@H]1c1cccs1 ZINC000248734386 497092902 /nfs/dbraw/zinc/09/29/02/497092902.db2.gz NFVWWGKRWGRTNT-APWZRJJASA-N 2 0 361.555 3.122 20 0 FGADRP Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@@H]1N2C(=O)C1CC[NH+](C2CC2)CC1 ZINC000278390117 497097765 /nfs/dbraw/zinc/09/77/65/497097765.db2.gz ITUBEMIFWIHMPM-FPOVZHCZSA-N 2 0 353.510 3.004 20 0 FGADRP C[C@@H]1CN(Cc2ccccn2)CC[C@H]1[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000248820749 497109931 /nfs/dbraw/zinc/10/99/31/497109931.db2.gz WTXPTVKLAVMVHW-LELZANKISA-N 2 0 355.526 3.229 20 0 FGADRP C[C@H](CC[NH2+]C[C@@H](O)COCc1ccccc1Cl)[NH+]1CCCCC1 ZINC000569233011 505885316 /nfs/dbraw/zinc/88/53/16/505885316.db2.gz RWWZRIDDDVGKAQ-SJLPKXTDSA-N 2 0 354.922 3.072 20 0 FGADRP CC1(C)[C@H]([NH2+]C[C@@H]2CN(Cc3ccccc3)CCCO2)[C@@H]2CCCO[C@H]21 ZINC000248835232 497114459 /nfs/dbraw/zinc/11/44/59/497114459.db2.gz NDPBQSUUJISSPS-PLACYPQZSA-N 2 0 358.526 3.071 20 0 FGADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)[C@H](C)[C@@H]([NH3+])c1ccccc1 ZINC000236656015 497127633 /nfs/dbraw/zinc/12/76/33/497127633.db2.gz FTAQLOHHQOOXHO-DYESRHJHSA-N 2 0 353.510 3.479 20 0 FGADRP CC1CC[NH+](Cc2ccccc2CNC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000236718535 497137099 /nfs/dbraw/zinc/13/70/99/497137099.db2.gz HGKUYCKVEBRNPW-CZAFVFSZSA-N 2 0 369.553 3.455 20 0 FGADRP Brc1ccc2ncc(C[NH2+]CC3CC[NH+](C4CC4)CC3)n2c1 ZINC000278508295 497138649 /nfs/dbraw/zinc/13/86/49/497138649.db2.gz PFHARCVGODNJTA-UHFFFAOYSA-N 2 0 363.303 3.061 20 0 FGADRP C[NH+](C)CCOc1ccc(NC(=O)[C@@](C)([NH3+])c2ccccc2)cc1Cl ZINC000192522483 497139071 /nfs/dbraw/zinc/13/90/71/497139071.db2.gz QQOWANYTPLEVLX-IBGZPJMESA-N 2 0 361.873 3.093 20 0 FGADRP O=C(NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C1CC[NH+](C2CC2)CC1 ZINC000192524224 497140294 /nfs/dbraw/zinc/14/02/94/497140294.db2.gz OXFGNKMYHUGVSL-XDNSSPFJSA-N 2 0 367.537 3.173 20 0 FGADRP C[N@H+](CCOc1cccc(C[NH2+]C[C@@H]2CCSC2)c1)C1CCOCC1 ZINC000278556944 497153215 /nfs/dbraw/zinc/15/32/15/497153215.db2.gz VULITYKVPJGXKY-SFHVURJKSA-N 2 0 364.555 3.019 20 0 FGADRP C[C@@H]1C[NH+](CCC2CC[NH+](C[C@@H](O)CC3CCCC3)CC2)C[C@@H](C)O1 ZINC000249106328 497167235 /nfs/dbraw/zinc/16/72/35/497167235.db2.gz QLKUOURNUNAYQG-OPYAIIAOSA-N 2 0 352.563 3.139 20 0 FGADRP C[C@H]1C[C@@H](NC(=O)C2CC[NH+](C3CC3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000192684979 497184263 /nfs/dbraw/zinc/18/42/63/497184263.db2.gz IGSTZVAKJPVUEE-PXNSSMCTSA-N 2 0 355.526 3.030 20 0 FGADRP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]C[C@@H](O)Cc1ccccc1 ZINC000249281772 497185740 /nfs/dbraw/zinc/18/57/40/497185740.db2.gz KZKULHUHFXWAGW-KNKQGSTJSA-N 2 0 352.522 3.336 20 0 FGADRP C[C@H]([NH2+][C@H]1CCN(c2ccccn2)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274866801 497186590 /nfs/dbraw/zinc/18/65/90/497186590.db2.gz DZQRWJGZMZKCRB-JBACZVJFSA-N 2 0 350.510 3.161 20 0 FGADRP C[N@H+](Cc1ccccc1NC(=O)C[NH2+]C[C@@H]1CCCO1)C1CCCCC1 ZINC000237166907 497200838 /nfs/dbraw/zinc/20/08/38/497200838.db2.gz UJBUJQZYGWFGLF-IBGZPJMESA-N 2 0 359.514 3.158 20 0 FGADRP COc1ccccc1[C@H](CNC(=O)[C@@H]1CCCCCC[C@@H]1[NH3+])[NH+]1CCCC1 ZINC000237258676 497211042 /nfs/dbraw/zinc/21/10/42/497211042.db2.gz ZMYQTNYUIULAKD-HOJAQTOUSA-N 2 0 373.541 3.246 20 0 FGADRP COc1ccccc1[C@H](CNC(=O)c1ccc(C[NH3+])cc1)[NH+]1CCCCC1 ZINC000237262294 497212128 /nfs/dbraw/zinc/21/21/28/497212128.db2.gz QSIWNEVUKOGOTN-FQEVSTJZSA-N 2 0 367.493 3.111 20 0 FGADRP COc1cccc([C@@H](CNC(=O)C[C@@H]([NH3+])c2ccccc2)[NH+]2CCCC2)c1 ZINC000237282845 497214440 /nfs/dbraw/zinc/21/44/40/497214440.db2.gz BANIWTOSCXOPLI-NHCUHLMSSA-N 2 0 367.493 3.038 20 0 FGADRP C[C@@H](CC(=O)Nc1ccc2ccn(CC[NH+](C)C)c2c1)C1CC[NH2+]CC1 ZINC000237381965 497228633 /nfs/dbraw/zinc/22/86/33/497228633.db2.gz AJJVOHGFACMZLQ-INIZCTEOSA-N 2 0 356.514 3.167 20 0 FGADRP CC(C)[NH+]1CCN(CCC[NH2+][C@@H]2CCO[C@H]2c2ccc(Cl)cc2)CC1 ZINC000192848431 497229150 /nfs/dbraw/zinc/22/91/50/497229150.db2.gz PRQBQEWWNUODCK-UXHICEINSA-N 2 0 365.949 3.176 20 0 FGADRP C[C@@H](CC(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1)C1CC[NH2+]CC1 ZINC000237401291 497230649 /nfs/dbraw/zinc/23/06/49/497230649.db2.gz HKAAOGSQNLHJSW-ROUUACIJSA-N 2 0 357.542 3.354 20 0 FGADRP CC[NH+](CC)[C@@H](C(=O)NCC1CC[NH2+]CC1)c1cccc(C(F)(F)F)c1 ZINC000572117924 505894314 /nfs/dbraw/zinc/89/43/14/505894314.db2.gz NYAUZAADQVLZHF-QGZVFWFLSA-N 2 0 371.447 3.204 20 0 FGADRP C[C@H](CC(=O)Nc1ccc2ccn(CC[NH+](C)C)c2c1)[C@H]1CCC[NH2+]C1 ZINC000237569647 497257079 /nfs/dbraw/zinc/25/70/79/497257079.db2.gz ODQNECRPGSYMDA-AEFFLSMTSA-N 2 0 356.514 3.167 20 0 FGADRP C[NH+](C)CCNC(=O)c1ccc(C[NH2+][C@H]2CCCNc3ccccc32)cc1 ZINC000193002214 497271837 /nfs/dbraw/zinc/27/18/37/497271837.db2.gz PPXLAOYQAPHWOL-NRFANRHFSA-N 2 0 366.509 3.015 20 0 FGADRP C[C@H](C[NH+]1CCCCCC1)NC(=O)N[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000251654897 497279725 /nfs/dbraw/zinc/27/97/25/497279725.db2.gz JUJSAMATHLLCPU-QRVBRYPASA-N 2 0 364.578 3.203 20 0 FGADRP [NH3+][C@H](CCC(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1)c1ccccc1 ZINC000237933919 497315944 /nfs/dbraw/zinc/31/59/44/497315944.db2.gz NMUBLWLVHHKKFB-RTWAWAEBSA-N 2 0 351.494 3.420 20 0 FGADRP Cc1nn2c(CNC[C@@H]3C[NH2+]CC[C@@H]3c3ccc(F)cc3)c(C)nc2s1 ZINC000581059577 505901353 /nfs/dbraw/zinc/90/13/53/505901353.db2.gz MUSSYSRXCFRHJZ-DOTOQJQBSA-N 2 0 373.501 3.030 20 0 FGADRP CC[NH+](CC)Cc1cccc(CNC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c1 ZINC000266572493 497372755 /nfs/dbraw/zinc/37/27/55/497372755.db2.gz XEZYJZSTJUKFRZ-SEJPIABJSA-N 2 0 372.557 3.343 20 0 FGADRP C[NH+](C)CCNC(=O)c1ccc(C[NH2+][C@@H]2CCc3c2c(F)ccc3F)cc1 ZINC000271531792 497373817 /nfs/dbraw/zinc/37/38/17/497373817.db2.gz SAFVXJKLXJJNET-LJQANCHMSA-N 2 0 373.447 3.033 20 0 FGADRP C[NH+](C)CCNC(=O)c1ccc(C[NH2+][C@H]2CCc3c2c(F)ccc3F)cc1 ZINC000271531789 497374327 /nfs/dbraw/zinc/37/43/27/497374327.db2.gz SAFVXJKLXJJNET-IBGZPJMESA-N 2 0 373.447 3.033 20 0 FGADRP C[C@H]1CCC[N@H+](CCCCNC(=O)Nc2ccccc2CC[NH+](C)C)C1 ZINC000275606591 497380311 /nfs/dbraw/zinc/38/03/11/497380311.db2.gz HNUZDQMLJSGZGN-SFHVURJKSA-N 2 0 360.546 3.424 20 0 FGADRP CCC[N@H+](C)C[C@@H]1CC[NH+](CCC(=O)N[C@H]2CCCc3ccccc32)C1 ZINC000245412166 497393080 /nfs/dbraw/zinc/39/30/80/497393080.db2.gz ABZAXLHVKBCWEN-RXVVDRJESA-N 2 0 357.542 3.234 20 0 FGADRP C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000245469075 497421489 /nfs/dbraw/zinc/42/14/89/497421489.db2.gz LLDPWCNVCBJFSH-ROUUACIJSA-N 2 0 364.578 3.203 20 0 FGADRP Clc1ccc(CCN2CC[NH+](CC3CC[NH2+]CC3)CC2)cc1Cl ZINC000261656519 497428476 /nfs/dbraw/zinc/42/84/76/497428476.db2.gz BKDSOMNQKUWEKI-UHFFFAOYSA-N 2 0 356.341 3.153 20 0 FGADRP C[NH2+]CCc1ccccc1C(=O)N[C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261754402 497445349 /nfs/dbraw/zinc/44/53/49/497445349.db2.gz NGPBVFHUCFETES-WIYYLYMNSA-N 2 0 365.521 3.089 20 0 FGADRP Cc1ccc2[nH]c(C[NH+]3CCC(C[NH+]4CCN(C)CC4)CC3)cc2c1C ZINC000575034288 505908206 /nfs/dbraw/zinc/90/82/06/505908206.db2.gz DXSZVBBUMPOGBF-UHFFFAOYSA-N 2 0 354.542 3.244 20 0 FGADRP C[C@H](C(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1)[C@H]([NH3+])c1ccccc1 ZINC000261848906 497461441 /nfs/dbraw/zinc/46/14/41/497461441.db2.gz WMDFNLPKYVILBI-AVRDEDQJSA-N 2 0 365.521 3.446 20 0 FGADRP C[C@H](CS(=O)(=O)c1ccccc1)[NH2+]CCCC[N@@H+]1CCCC[C@H]1C ZINC000271830700 497463598 /nfs/dbraw/zinc/46/35/98/497463598.db2.gz QUESMYGXIZZPRE-QZTJIDSGSA-N 2 0 352.544 3.093 20 0 FGADRP CCC[N@@H+]1CC[C@H](C[NH2+]CCC(=O)Nc2ccc(Br)cc2)C1 ZINC000569332448 505909864 /nfs/dbraw/zinc/90/98/64/505909864.db2.gz ROIAUMWXBORHCI-CQSZACIVSA-N 2 0 368.319 3.099 20 0 FGADRP C[NH2+]CCC1CC[NH+](CC(=O)N[C@H](C)c2ccc(Cl)cc2Cl)CC1 ZINC000262021138 497494419 /nfs/dbraw/zinc/49/44/19/497494419.db2.gz XVXZGDGVDZHETJ-CYBMUJFWSA-N 2 0 372.340 3.492 20 0 FGADRP O=C(CC[N@H+]1CCCC[C@@H]1c1ccc(C(F)(F)F)cc1)N1CC[NH2+]CC1 ZINC000262115238 497511079 /nfs/dbraw/zinc/51/10/79/497511079.db2.gz MXKFCKMILGOSMJ-QGZVFWFLSA-N 2 0 369.431 3.054 20 0 FGADRP O=C(CC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)N1CCCCC1 ZINC000245729663 497519506 /nfs/dbraw/zinc/51/95/06/497519506.db2.gz QATBLEYKBBPXBP-MZADTFQBSA-N 2 0 355.526 3.174 20 0 FGADRP CN(C(=O)Cc1cccs1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC000245737379 497522199 /nfs/dbraw/zinc/52/21/99/497522199.db2.gz UAIBWFFDOJGMED-RBUKOAKNSA-N 2 0 363.571 3.086 20 0 FGADRP CC[N@H+](CCC(=O)N1CC[NH2+]CC1)[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000262203898 497524180 /nfs/dbraw/zinc/52/41/80/497524180.db2.gz SOMJFEOYRRWJOZ-JOCHJYFZSA-N 2 0 369.484 3.059 20 0 FGADRP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])C1 ZINC000262227727 497526575 /nfs/dbraw/zinc/52/65/75/497526575.db2.gz GLZKEMICYWIXOX-STOPYWCFSA-N 2 0 361.574 3.253 20 0 FGADRP CC(C)[C@@H](C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)N1CCOCC1 ZINC000245759896 497530590 /nfs/dbraw/zinc/53/05/90/497530590.db2.gz VKQQDVNHMYMNAX-BXXSPATCSA-N 2 0 371.569 3.128 20 0 FGADRP CN(c1ccccc1C[N@@H+]1CC[C@H]2OCCC[C@H]2C1)C1CC[NH+](C)CC1 ZINC000245765178 497532073 /nfs/dbraw/zinc/53/20/73/497532073.db2.gz QQDOWVAZWVXXPQ-SIKLNZKXSA-N 2 0 357.542 3.218 20 0 FGADRP COCC[N@H+](C)CCC[NH2+]C1CC(c2ccc(Br)cc2)C1 ZINC000193970519 497536368 /nfs/dbraw/zinc/53/63/68/497536368.db2.gz QYYKACQNNIDRNC-UHFFFAOYSA-N 2 0 355.320 3.253 20 0 FGADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+])c1ccccc1 ZINC000262308792 497537114 /nfs/dbraw/zinc/53/71/14/497537114.db2.gz OTIDIALVPMHKIC-XLIJVUNUSA-N 2 0 357.542 3.386 20 0 FGADRP C[C@H](C[NH2+][C@@H](C)CCc1ccc(C(F)(F)F)cc1)CN1CC[NH+](C)CC1 ZINC000193981278 497538962 /nfs/dbraw/zinc/53/89/62/497538962.db2.gz LSPABZASFHUBKJ-SJORKVTESA-N 2 0 371.491 3.500 20 0 FGADRP CC(C)[NH+]1CCN(CCC[N@H+]2CC=C(c3c[nH]c4ncccc34)CC2)CC1 ZINC000276308914 497541591 /nfs/dbraw/zinc/54/15/91/497541591.db2.gz LQVCKSHUEISELN-UHFFFAOYSA-N 2 0 367.541 3.068 20 0 FGADRP CCCN(C(=O)[C@H]1CC[NH2+][C@@H](C)C1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000262357590 497544192 /nfs/dbraw/zinc/54/41/92/497544192.db2.gz JQHZDNMWFSFZEG-JBACZVJFSA-N 2 0 357.542 3.278 20 0 FGADRP C[NH+](C)CCc1ccc(CNC(=O)Nc2cccc(C[NH+](C)C)c2)cc1 ZINC000276354445 497551622 /nfs/dbraw/zinc/55/16/22/497551622.db2.gz UUXBXEIGYQTXEJ-UHFFFAOYSA-N 2 0 354.498 3.174 20 0 FGADRP [NH3+]C[C@@H](NC(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+])c1ccc2ccccc2c1 ZINC000262481838 497562768 /nfs/dbraw/zinc/56/27/68/497562768.db2.gz ZPIKMMHBTKAHCP-HYUQFDPSSA-N 2 0 351.494 3.109 20 0 FGADRP [NH3+]C[C@H](NC(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+])c1ccc2ccccc2c1 ZINC000262481839 497563432 /nfs/dbraw/zinc/56/34/32/497563432.db2.gz ZPIKMMHBTKAHCP-LWUIHUKISA-N 2 0 351.494 3.109 20 0 FGADRP C[C@@H]([NH2+]Cc1ccc(S(C)(=O)=O)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272206566 497564574 /nfs/dbraw/zinc/56/45/74/497564574.db2.gz PLQPETLNVDZCHW-YLJYHZDGSA-N 2 0 372.534 3.090 20 0 FGADRP COC[C@@]1(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)OCCc2ccccc21 ZINC000572209200 505914663 /nfs/dbraw/zinc/91/46/63/505914663.db2.gz QSAPTHNBAKRSLY-HSZRJFAPSA-N 2 0 372.553 3.488 20 0 FGADRP C[C@H](C(=O)N1CCC[N@H+](Cc2ccccc2)CC1)[C@H]([NH3+])c1ccccc1 ZINC000262519004 497569012 /nfs/dbraw/zinc/56/90/12/497569012.db2.gz VANCCOSGKCMRJN-RXVVDRJESA-N 2 0 351.494 3.057 20 0 FGADRP C[C@H](CS(=O)(=O)c1ccccc1)[NH2+]CCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000245916373 497570266 /nfs/dbraw/zinc/57/02/66/497570266.db2.gz WPFIXUADUBZION-CEXWTWQISA-N 2 0 366.571 3.197 20 0 FGADRP C[NH+]1CCC(Nc2ccccc2NC(=O)CC2(C[NH3+])CCCCC2)CC1 ZINC000262651825 497592349 /nfs/dbraw/zinc/59/23/49/497592349.db2.gz JPMHMZVSCOUUMJ-UHFFFAOYSA-N 2 0 358.530 3.431 20 0 FGADRP C[NH+](C)CC[C@H](NC(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1)C(C)(C)C ZINC000194183072 497596093 /nfs/dbraw/zinc/59/60/93/497596093.db2.gz MLKJWVILSZPBDE-UXHICEINSA-N 2 0 374.573 3.174 20 0 FGADRP Cc1ccc([C@H]([NH3+])C(=O)Nc2ccc3ccn(CC[NH+](C)C)c3c2)cc1 ZINC000262672120 497597279 /nfs/dbraw/zinc/59/72/79/497597279.db2.gz RZDFPJAHELOTCN-FQEVSTJZSA-N 2 0 350.466 3.150 20 0 FGADRP CC[C@H](C)[NH2+][C@H](CNC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)c1ccco1 ZINC000569373300 505920075 /nfs/dbraw/zinc/92/00/75/505920075.db2.gz POCOTVZTOHVYQN-GOEBONIOSA-N 2 0 364.534 3.317 20 0 FGADRP COc1cc(C[NH2+][C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)cc(OC)c1O ZINC000272538777 497655827 /nfs/dbraw/zinc/65/58/27/497655827.db2.gz CEYSSPCXFHLFDO-LPHOPBHVSA-N 2 0 370.493 3.410 20 0 FGADRP OCC[C@@H]1CCCC[NH+]1Cc1cccc(C[N@H+]2CCCC[C@H]2CCO)c1 ZINC000246252976 497674451 /nfs/dbraw/zinc/67/44/51/497674451.db2.gz PPAOJKKCWQTSON-VXKWHMMOSA-N 2 0 360.542 3.160 20 0 FGADRP O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)N(Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000263017458 497682330 /nfs/dbraw/zinc/68/23/30/497682330.db2.gz ZMSWCKNATPFXFY-XVLXNVKGSA-N 2 0 373.566 3.140 20 0 FGADRP C[C@]1([NH3+])CCCC[C@@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000263028833 497685688 /nfs/dbraw/zinc/68/56/88/497685688.db2.gz RQAWLWHKETUSTM-VLVMJKEHSA-N 2 0 355.526 3.206 20 0 FGADRP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1ccc2c(c1)COC2 ZINC000272736571 497716719 /nfs/dbraw/zinc/71/67/19/497716719.db2.gz JURRQJUNMSECQB-OPAMFIHVSA-N 2 0 352.478 3.134 20 0 FGADRP CCN(CC1CCN(c2ccccn2)CC1)C(=O)[C@@H]1CCCC[C@]1(C)[NH3+] ZINC000263237893 497739292 /nfs/dbraw/zinc/73/92/92/497739292.db2.gz OHDKDCFKKXMRAB-RXVVDRJESA-N 2 0 358.530 3.054 20 0 FGADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)NCC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)C1 ZINC000246456877 497740157 /nfs/dbraw/zinc/74/01/57/497740157.db2.gz UWCPZISPQWPPET-QRVBRYPASA-N 2 0 366.594 3.116 20 0 FGADRP Cc1ccc(-c2ncc(C[NH2+]CC3(O)CC[NH+](C(C)C)CC3)s2)cc1 ZINC000268402683 497742063 /nfs/dbraw/zinc/74/20/63/497742063.db2.gz DCXZQCFLBQENLO-UHFFFAOYSA-N 2 0 359.539 3.443 20 0 FGADRP Cc1c([C@@H](C)[NH2+]CCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cnn1C(C)(C)C ZINC000191231766 497750416 /nfs/dbraw/zinc/75/04/16/497750416.db2.gz FUROKOXQMWVRIV-IXDOHACOSA-N 2 0 350.551 3.487 20 0 FGADRP C[NH+](C)CCNC(=O)c1ccc(C[NH2+][C@@H](c2cccnc2)C2CCC2)cc1 ZINC000280429670 497751439 /nfs/dbraw/zinc/75/14/39/497751439.db2.gz BTUCSRQQELSUMS-OAQYLSRUSA-N 2 0 366.509 3.004 20 0 FGADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)NCc2cccc(C[NH+]3CCCC3)c2)[C@@H](C)C1 ZINC000246496961 497753373 /nfs/dbraw/zinc/75/33/73/497753373.db2.gz SFJVDPKVGJDYMX-GHTZIAJQSA-N 2 0 372.557 3.154 20 0 FGADRP C[C@@H](CNC(=O)[C@H](C)[NH+]1CCC(C[NH+]2CCCC2)CC1)c1ccccc1 ZINC000194737911 497754923 /nfs/dbraw/zinc/75/49/23/497754923.db2.gz AKEGYSFYFNRPKJ-OALUTQOASA-N 2 0 357.542 3.103 20 0 FGADRP CC(C)[NH+]1CCC([NH2+]C[C@@H](CO)Cc2ccccc2Br)CC1 ZINC000277170066 497764214 /nfs/dbraw/zinc/76/42/14/497764214.db2.gz RVSZFXNHBPFPHF-HNNXBMFYSA-N 2 0 369.347 3.063 20 0 FGADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)c2csc(CC[NH3+])n2)cc1 ZINC000194827536 497784014 /nfs/dbraw/zinc/78/40/14/497784014.db2.gz DNYVORRISYTMCT-AWEZNQCLSA-N 2 0 358.511 3.271 20 0 FGADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)NC[C@H]2CCC[NH+]2Cc2ccccc2)C1 ZINC000246834161 497814769 /nfs/dbraw/zinc/81/47/69/497814769.db2.gz XTJYAVAIHWFAQM-NHCUHLMSSA-N 2 0 372.557 3.071 20 0 FGADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@@H](O)COc1cccc(Cl)c1Cl ZINC000246924088 497820423 /nfs/dbraw/zinc/82/04/23/497820423.db2.gz GWEKSUDOLUTFHP-RGCMKSIDSA-N 2 0 361.313 3.051 20 0 FGADRP C[C@H](C(=O)NCCC1=CCCCC1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246928953 497820642 /nfs/dbraw/zinc/82/06/42/497820642.db2.gz SXSXMTLYAFLUOV-SLYNCCJLSA-N 2 0 359.558 3.330 20 0 FGADRP OC1CC[NH+](Cc2cccc(NC3CCN(c4cc[nH+]cc4)CC3)c2)CC1 ZINC000569446670 505937353 /nfs/dbraw/zinc/93/73/53/505937353.db2.gz IBBLBUPCEPUBNK-UHFFFAOYSA-N 2 0 366.509 3.119 20 0 FGADRP c1nnc([C@H]([NH2+]CC2CCN(c3cc[nH+]cc3)CC2)C2CCCCC2)[nH]1 ZINC000292110951 497882501 /nfs/dbraw/zinc/88/25/01/497882501.db2.gz KEPGJYKTSDQAPK-LJQANCHMSA-N 2 0 354.502 3.327 20 0 FGADRP CC(C)[C@H](C[NH2+][C@@H]1C[C@H](Oc2ccccc2)C1(C)C)N1CC[NH+](C)CC1 ZINC000575204885 505941645 /nfs/dbraw/zinc/94/16/45/505941645.db2.gz UCQALCPAOISOIP-HBMCJLEFSA-N 2 0 359.558 3.094 20 0 FGADRP C[N@@H+]1CC[C@]2(CC[NH+](CCC(=O)Nc3cc(Cl)ccc3Cl)C2)C1 ZINC000292208689 497922853 /nfs/dbraw/zinc/92/28/53/497922853.db2.gz TUBIYEHYYIEFAG-KRWDZBQOSA-N 2 0 356.297 3.350 20 0 FGADRP CCC[NH+]1CCN(c2ccccc2C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)CC1 ZINC000572364196 505950567 /nfs/dbraw/zinc/95/05/67/505950567.db2.gz XSBRNJCXXUGVJZ-NHCUHLMSSA-N 3 0 370.585 3.040 20 0 FGADRP C[C@H](NC(=O)Nc1ccc2c(c1F)CC[NH2+]C2)[C@@H](c1ccccc1)[NH+](C)C ZINC000578502959 505956269 /nfs/dbraw/zinc/95/62/69/505956269.db2.gz WXSFYDBQZISGSI-XOBRGWDASA-N 2 0 370.472 3.284 20 0 FGADRP C[C@@H]1C[NH+](CCCCNC(=O)CC[C@H]([NH3+])CC2CCCCC2)C[C@@H](C)O1 ZINC000575319207 505960916 /nfs/dbraw/zinc/96/09/16/505960916.db2.gz MAXGZFSQNAWQEM-GGPKGHCWSA-N 2 0 367.578 3.070 20 0 FGADRP CN1CC[NH+](CC2(C)CC[NH+](Cc3cccc(OC(F)F)c3)CC2)CC1 ZINC000364635144 498061302 /nfs/dbraw/zinc/06/13/02/498061302.db2.gz CDGYVFQGCJTSIK-UHFFFAOYSA-N 2 0 367.484 3.138 20 0 FGADRP C[N@@H+]1CCC[C@@H](CC[NH2+]C[C@@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000578619158 505982970 /nfs/dbraw/zinc/98/29/70/505982970.db2.gz BZQVKNOJIXLCQL-UONOGXRCSA-N 2 0 361.313 3.055 20 0 FGADRP C[N@H+](CCC[NH+]1CCCC1)CCC(=O)Nc1ccccc1C(F)(F)F ZINC000281431112 498148366 /nfs/dbraw/zinc/14/83/66/498148366.db2.gz SMUVBURTHHBFKM-UHFFFAOYSA-N 2 0 357.420 3.452 20 0 FGADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+][C@@H](C(N)=O)c2ccccc2)CC1 ZINC000285645030 498158178 /nfs/dbraw/zinc/15/81/78/498158178.db2.gz LYVKLATZZPYJID-XVAXZDLZSA-N 2 0 351.494 3.246 20 0 FGADRP C[C@H]1CCN(C(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)C[C@H]1C[NH3+] ZINC000569676632 505990562 /nfs/dbraw/zinc/99/05/62/505990562.db2.gz ZHAJROGUIVAXPE-GHTZIAJQSA-N 2 0 372.557 3.189 20 0 FGADRP CC[NH+](CC)[C@H](C(=O)N[C@H](C)C[C@@H](C)[NH3+])c1cccc(C(F)(F)F)c1 ZINC000578656305 505990981 /nfs/dbraw/zinc/99/09/81/505990981.db2.gz PVWKNVFRSHZVMI-IOASZLSFSA-N 2 0 359.436 3.330 20 0 FGADRP O[C@H]1CC[N@H+](Cc2ccccc2C[NH2+][C@@H](c2cncc(F)c2)C2CC2)C1 ZINC000281517023 498178115 /nfs/dbraw/zinc/17/81/15/498178115.db2.gz HOBXHGJCUMRCGA-LEWJYISDSA-N 2 0 355.457 3.028 20 0 FGADRP CCOc1ccccc1OCCN(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2CCOC ZINC000292932704 498201140 /nfs/dbraw/zinc/20/11/40/498201140.db2.gz CRFPADOHMTUBCN-DFNIBXOVSA-N 2 0 362.514 3.038 20 0 FGADRP c1coc([C@@H]2COCCN2CCCCCN2CCOC[C@H]2c2ccco2)c1 ZINC000359878778 498226700 /nfs/dbraw/zinc/22/67/00/498226700.db2.gz XRBREMCWKCRTFG-OALUTQOASA-N 2 0 374.481 3.490 20 0 FGADRP C[N@@H+](Cc1nc(-c2ccccc2)no1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000364991265 498243267 /nfs/dbraw/zinc/24/32/67/498243267.db2.gz SGPHGNFXKPRRSE-UHFFFAOYSA-N 2 0 363.465 3.480 20 0 FGADRP CCC[NH+]1CCC(N(C)Cc2nc3c(s2)C[N@@H+](C(C)C)CC3)CC1 ZINC000360341674 498266299 /nfs/dbraw/zinc/26/62/99/498266299.db2.gz HASFDOBBAWQDHN-UHFFFAOYSA-N 2 0 350.576 3.216 20 0 FGADRP COCCC[NH+]1CCC([NH2+][C@@H](C)Cc2ccc(OC)c(OC)c2C)CC1 ZINC000286046242 498276614 /nfs/dbraw/zinc/27/66/14/498276614.db2.gz KVGGZWAIDPASBG-INIZCTEOSA-N 2 0 364.530 3.034 20 0 FGADRP CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)c2cccc(C[NH+]3CCCC3)c2)CC1 ZINC000581547704 506012769 /nfs/dbraw/zinc/01/27/69/506012769.db2.gz RDTREGIWOFWPKS-HXUWFJFHSA-N 2 0 355.526 3.133 20 0 FGADRP CCC[N@H+](C)[C@H](CNC(=O)CCc1cncn1C)c1ccc(Cl)cc1 ZINC000286247408 498337874 /nfs/dbraw/zinc/33/78/74/498337874.db2.gz GUOOQUHYNUJOHZ-GOSISDBHSA-N 2 0 362.905 3.205 20 0 FGADRP C[C@H]1CCN(C(=O)NCc2ccccc2C[NH+]2CCCCCC2)C[C@@H]1C[NH3+] ZINC000575853130 506018387 /nfs/dbraw/zinc/01/83/87/506018387.db2.gz BDFWPGSUCPSJPZ-RXVVDRJESA-N 2 0 372.557 3.189 20 0 FGADRP O[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]C/C=C/c2ccc(F)c(F)c2)CC1 ZINC000286345680 498371200 /nfs/dbraw/zinc/37/12/00/498371200.db2.gz FHVLDCVZMSHGLT-FMEUAVTJSA-N 2 0 350.453 3.336 20 0 FGADRP c1nn(-c2ccccc2)cc1CC[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000581601908 506025554 /nfs/dbraw/zinc/02/55/54/506025554.db2.gz WZXSNVVTEPZVHU-GMAHTHKFSA-N 2 0 374.488 3.260 20 0 FGADRP CC(C)[NH2+]CC(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000569826218 506025765 /nfs/dbraw/zinc/02/57/65/506025765.db2.gz RJHWYSJMMUMGHR-MAUKXSAKSA-N 2 0 371.447 3.203 20 0 FGADRP NC(=O)c1c[nH+]ccc1NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000302127247 498413882 /nfs/dbraw/zinc/41/38/82/498413882.db2.gz AWIPIZBZJLHLJV-UHFFFAOYSA-N 2 0 358.873 3.158 20 0 FGADRP FC(F)(F)c1cccc(CC[NH2+]C2CCN(c3cc[nH+]cc3)CC2)n1 ZINC000297404314 498436928 /nfs/dbraw/zinc/43/69/28/498436928.db2.gz KSXMOKSIAHWFHA-UHFFFAOYSA-N 2 0 350.388 3.297 20 0 FGADRP Cc1nc(CN2CCC(C[NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)CC2)oc1C ZINC000578846610 506035163 /nfs/dbraw/zinc/03/51/63/506035163.db2.gz LFRDXAQXBVQXHA-HSALFYBXSA-N 2 0 360.546 3.014 20 0 FGADRP C[C@H](C(=O)N1CCC[C@@H]1c1cccs1)[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000578868016 506040713 /nfs/dbraw/zinc/04/07/13/506040713.db2.gz LUXMCAFQZPJEMF-KBAYOESNSA-N 2 0 361.555 3.122 20 0 FGADRP CC[N@H+](CCn1ccnc1)C1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC000362396708 498510483 /nfs/dbraw/zinc/51/04/83/498510483.db2.gz OXHJPCSPDQWTQC-UHFFFAOYSA-N 3 0 356.518 3.096 20 0 FGADRP Cc1cc(C)c(NC(=O)C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)c(C)c1 ZINC000297634694 498518894 /nfs/dbraw/zinc/51/88/94/498518894.db2.gz MEHRDOZZSRIFSW-UHFFFAOYSA-N 2 0 352.482 3.204 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H]2Cc3[nH]c4ccccc4c3C2)[C@@H](C)C1 ZINC000282494835 498534193 /nfs/dbraw/zinc/53/41/93/498534193.db2.gz XROIMBFDUIVXKC-QKLQHJQFSA-N 2 0 355.526 3.362 20 0 FGADRP NC(=O)[C@H](N[C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)c1ccc(F)cc1 ZINC000569926442 506049426 /nfs/dbraw/zinc/04/94/26/506049426.db2.gz HBKFKKWKCYYPOA-WOJBJXKFSA-N 2 0 367.468 3.139 20 0 FGADRP C[NH+](C)CCc1ccccc1NC(=O)N[C@H](C[NH+](C)C)c1ccc(F)cc1 ZINC000287033569 498598945 /nfs/dbraw/zinc/59/89/45/498598945.db2.gz FVVDXGSHTIMYGE-HXUWFJFHSA-N 2 0 372.488 3.354 20 0 FGADRP O=C(N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1)C12CCC[NH+]1CCC2 ZINC000365687382 498599067 /nfs/dbraw/zinc/59/90/67/498599067.db2.gz MUFGKFNBOCVWHC-UHFFFAOYSA-N 2 0 367.537 3.130 20 0 FGADRP C[C@H]1CN(C(=O)Nc2ccccc2CC[NH+](C)C)CC[N@@H+](C2CCC2)C1 ZINC000297918420 498609083 /nfs/dbraw/zinc/60/90/83/498609083.db2.gz UOVAUTPGEBZXGJ-QGZVFWFLSA-N 2 0 358.530 3.129 20 0 FGADRP Cc1cc(N2CC[NH+](C)CC2)ccc1NC1CCN(c2cc[nH+]cc2)CC1 ZINC000297931573 498613568 /nfs/dbraw/zinc/61/35/68/498613568.db2.gz UPCBSDSBBURWQW-UHFFFAOYSA-N 2 0 365.525 3.223 20 0 FGADRP COc1c(Br)cc(C[NH2+][C@H](C)CC[NH3+])cc1Br ZINC000578965911 506062842 /nfs/dbraw/zinc/06/28/42/506062842.db2.gz OEMHYLHKWMQJOR-MRVPVSSYSA-N 2 0 366.097 3.047 20 0 FGADRP C[NH+](C)Cc1cccc(C(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)c1 ZINC000363055949 498625378 /nfs/dbraw/zinc/62/53/78/498625378.db2.gz OVQVXNPCUBBIFW-NRFANRHFSA-N 2 0 365.521 3.043 20 0 FGADRP OC1CC[NH+](Cc2ccccc2NC2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000298000772 498634419 /nfs/dbraw/zinc/63/44/19/498634419.db2.gz ZMBWMSXZGVEGKM-UHFFFAOYSA-N 2 0 366.509 3.119 20 0 FGADRP COCCCn1nccc1C[NH2+]Cc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000282738543 498634968 /nfs/dbraw/zinc/63/49/68/498634968.db2.gz UBQZBZAWPJKZMT-UHFFFAOYSA-N 2 0 370.541 3.441 20 0 FGADRP CC[N@H+](Cc1ccc(C(=O)N2CC[C@]3(C2)CCC[NH+](C)C3)cc1)C(C)C ZINC000294354900 498667632 /nfs/dbraw/zinc/66/76/32/498667632.db2.gz YRDHXZPNWCRLSP-JOCHJYFZSA-N 2 0 357.542 3.475 20 0 FGADRP CCC[NH+]1CCN(C2CC[NH+](Cc3ccc(OCC)c(F)c3)CC2)CC1 ZINC000365874106 498681542 /nfs/dbraw/zinc/68/15/42/498681542.db2.gz AXKKFWYMGZYNBI-UHFFFAOYSA-N 2 0 363.521 3.216 20 0 FGADRP C[C@H](NC(=O)[C@H](C)[NH+]1CCC(CC[NH3+])CC1)c1cccc2ccccc21 ZINC000572889249 506076199 /nfs/dbraw/zinc/07/61/99/506076199.db2.gz FVBDGVIZEQMSHD-IRXDYDNUSA-N 2 0 353.510 3.466 20 0 FGADRP C[C@H](CCc1ccc2c(c1)OCO2)[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000298260374 498712527 /nfs/dbraw/zinc/71/25/27/498712527.db2.gz FLURLJMTUKIPSC-MRXNPFEDSA-N 2 0 353.466 3.390 20 0 FGADRP CC[NH+]1CCC(C[NH2+]Cc2cn(-c3cccc(Cl)c3Cl)nn2)CC1 ZINC000572903645 506079900 /nfs/dbraw/zinc/07/99/00/506079900.db2.gz YUZBUFASMCLLEG-UHFFFAOYSA-N 2 0 368.312 3.396 20 0 FGADRP C[C@@H](O)c1cnc(C[NH2+]CC2CC[NH+](Cc3ccccc3F)CC2)s1 ZINC000366024601 498740223 /nfs/dbraw/zinc/74/02/23/498740223.db2.gz SHKITACAQSZEHK-CQSZACIVSA-N 2 0 363.502 3.337 20 0 FGADRP Cn1cncc1CCCN1CCc2cc(Br)cc(F)c2C1 ZINC000581892398 506084317 /nfs/dbraw/zinc/08/43/17/506084317.db2.gz KQIABUUWGJCGNN-UHFFFAOYSA-N 2 0 352.251 3.313 20 0 FGADRP Cn1cc([C@@H]2[C@@H](C[NH2+][C@@H]3CCCc4ccc(O)cc43)CCCN2C)cn1 ZINC000366081176 498767130 /nfs/dbraw/zinc/76/71/30/498767130.db2.gz ASWAUNAOSSKGFV-HBGVWJBISA-N 2 0 354.498 3.176 20 0 FGADRP CC(C)c1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)CCC2 ZINC000576146838 506087916 /nfs/dbraw/zinc/08/79/16/506087916.db2.gz GHXHEQHYPNWGQG-XJUOHMSHSA-N 2 0 369.553 3.424 20 0 FGADRP O=C(c1ccc(C[NH+]2CCCC2)cc1)N1CCC[C@H]([NH+]2CCCCC2)C1 ZINC000363392074 498796789 /nfs/dbraw/zinc/79/67/89/498796789.db2.gz CLCHHAKIKDRSCV-NRFANRHFSA-N 2 0 355.526 3.373 20 0 FGADRP CCc1cccc(OCC[NH+]2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c1 ZINC000576168734 506092243 /nfs/dbraw/zinc/09/22/43/506092243.db2.gz ZLMWZUIXQBFXBC-KDURUIRLSA-N 2 0 360.542 3.449 20 0 FGADRP Cc1cccc(C(C)C)c1NC(=O)CN1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000363413896 498807211 /nfs/dbraw/zinc/80/72/11/498807211.db2.gz IJPSMMHGPHMGIJ-MISYRCLQSA-N 2 0 355.526 3.473 20 0 FGADRP CC(C)[C@H](Cn1cccn1)[NH2+]CCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000581934293 506094091 /nfs/dbraw/zinc/09/40/91/506094091.db2.gz FPEXPGOAFIQDJX-QFIPXVFZSA-N 2 0 369.557 3.100 20 0 FGADRP [NH3+][C@@H]1CCCCC[C@@H]1NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000581937851 506094648 /nfs/dbraw/zinc/09/46/48/506094648.db2.gz YKACNDAUIOKBAF-VSKRKVRLSA-N 2 0 371.569 3.165 20 0 FGADRP C[NH+]1CCC(CC[NH2+]C[C@@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000323887550 498822733 /nfs/dbraw/zinc/82/27/33/498822733.db2.gz WLAPXBMURXSTCA-CQSZACIVSA-N 2 0 361.313 3.055 20 0 FGADRP CCCN(CCC)C(=O)CN1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000576197166 506098573 /nfs/dbraw/zinc/09/85/73/506098573.db2.gz YDMSILFAHVCMLW-SFTDATJTSA-N 2 0 357.542 3.089 20 0 FGADRP C[N@@H+]1CC[C@@H](CNC(=O)CCCCCC[NH3+])[C@@H]1c1cccc(Cl)c1 ZINC000366324459 498874894 /nfs/dbraw/zinc/87/48/94/498874894.db2.gz AXZPMEWSEVEKRG-LPHOPBHVSA-N 2 0 351.922 3.358 20 0 FGADRP C[C@H](C(=O)NC1CC[NH+](Cc2cccs2)CC1)[C@H]([NH3+])c1ccccc1 ZINC000366345461 498884170 /nfs/dbraw/zinc/88/41/70/498884170.db2.gz IYONORBJDARNKM-KXBFYZLASA-N 2 0 357.523 3.165 20 0 FGADRP CC1CC[NH+](Cc2ccccc2CNC(=O)[C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)CC1 ZINC000576182060 506095670 /nfs/dbraw/zinc/09/56/70/506095670.db2.gz QZMKYEMTXQCBOB-QIJUGHKUSA-N 2 0 369.553 3.455 20 0 FGADRP C[C@@H](c1ccncc1)N1CCC([NH2+]C2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000291332002 498898239 /nfs/dbraw/zinc/89/82/39/498898239.db2.gz AJZAURZSECXHQM-SFHVURJKSA-N 2 0 365.525 3.261 20 0 FGADRP Cc1cnc(CC[N@@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)c(C)c1 ZINC000581999766 506110226 /nfs/dbraw/zinc/11/02/26/506110226.db2.gz GLPYOBHDBPADLC-UHFFFAOYSA-N 2 0 372.601 3.369 20 0 FGADRP CCC[N@H+](CC)C[C@H](C)NC(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000579182391 506111393 /nfs/dbraw/zinc/11/13/93/506111393.db2.gz WSRVDUOBBHCTGL-ZWKOTPCHSA-N 2 0 364.534 3.226 20 0 FGADRP Cc1cccc(C[NH2+]Cc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)c1F ZINC000295171664 498931795 /nfs/dbraw/zinc/93/17/95/498931795.db2.gz LMPMCZFJVRSRGP-HXUWFJFHSA-N 2 0 369.484 3.121 20 0 FGADRP CC1CC[NH+](CCc2cccc(NC(=O)N3C[C@@H]4CC[C@@H]([NH3+])[C@H]4C3)c2)CC1 ZINC000333198589 498932507 /nfs/dbraw/zinc/93/25/07/498932507.db2.gz WYGQFUIPLHGWOW-SESVDKBCSA-N 2 0 370.541 3.162 20 0 FGADRP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)C1 ZINC000582051916 506122805 /nfs/dbraw/zinc/12/28/05/506122805.db2.gz ULQCLSJIJFRIQX-GHTZIAJQSA-N 2 0 372.557 3.331 20 0 FGADRP C[C@@H]([NH2+]C[C@@H]1CCCN(Cc2cccnc2)C1)c1ccc2c(c1)OCCO2 ZINC000363787775 498991712 /nfs/dbraw/zinc/99/17/12/498991712.db2.gz VQXZRZBEBCICAZ-MJGOQNOKSA-N 2 0 367.493 3.416 20 0 FGADRP C[C@H]1COCC[C@H]1[NH2+]Cc1cc(Cl)cc(C[NH2+][C@H]2CCOC[C@H]2C)c1 ZINC000295483569 499031087 /nfs/dbraw/zinc/03/10/87/499031087.db2.gz AAGMXWUYUBFEHX-FYXYJPLOSA-N 2 0 366.933 3.369 20 0 FGADRP CC(C)[C@@H](CNC(=O)N1C[C@H]([NH+]2CCCC2)C[C@H]1C)[NH+]1CCC(C)CC1 ZINC000582079884 506129002 /nfs/dbraw/zinc/12/90/02/506129002.db2.gz DDBGCBFPBCGYAN-VAMGGRTRSA-N 2 0 364.578 3.011 20 0 FGADRP C[C@@H]([NH2+]Cc1ccc(F)c(C[NH+](C)C)c1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000284267783 499079476 /nfs/dbraw/zinc/07/94/76/499079476.db2.gz WSCSGIFYWXYQRM-CQSZACIVSA-N 2 0 365.493 3.232 20 0 FGADRP C[NH+]1CCC(Oc2ccc(C[NH2+][C@@H]3[C@H]4CCCO[C@H]4C3(C)C)cc2)CC1 ZINC000284451459 499109353 /nfs/dbraw/zinc/10/93/53/499109353.db2.gz UJERVRGIKLZGJE-NJDAHSKKSA-N 2 0 358.526 3.453 20 0 FGADRP Cc1nccn1-c1ccc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2nccs2)cc1F ZINC000364148700 499124200 /nfs/dbraw/zinc/12/42/00/499124200.db2.gz XXJBHZDLWZNGIF-VXGBXAGGSA-N 2 0 373.457 3.454 20 0 FGADRP CN1CC[NH+](CC2(C)CCN(Cc3ccc(Cl)nc3Cl)CC2)CC1 ZINC000366976215 499125254 /nfs/dbraw/zinc/12/52/54/499125254.db2.gz OARZZPGNRWIDAP-UHFFFAOYSA-N 2 0 371.356 3.238 20 0 FGADRP Cc1ccc(OCCC[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)cc1C ZINC000367027594 499136240 /nfs/dbraw/zinc/13/62/40/499136240.db2.gz GGJOUXVTUNTGMU-IRLDBZIGSA-N 2 0 359.558 3.030 20 0 FGADRP C[C@H]1C[N@H+](CCSc2ccc(Cl)cc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000367029917 499136328 /nfs/dbraw/zinc/13/63/28/499136328.db2.gz OGTWCDWEFHIRTM-LPHOPBHVSA-N 2 0 367.990 3.390 20 0 FGADRP C[C@H]1CCCC[C@@H]1[NH+]1CCC(NCCC[N@@H+]2CCCO[C@H](C)C2)CC1 ZINC000372867401 499186659 /nfs/dbraw/zinc/18/66/59/499186659.db2.gz COXFWRLDPMTLJU-ZVDOUQERSA-N 2 0 351.579 3.120 20 0 FGADRP C[N@@H+](Cc1cnoc1C1CC1)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000367373476 499190691 /nfs/dbraw/zinc/19/06/91/499190691.db2.gz YTDGVLAIDAMOBF-OAQYLSRUSA-N 2 0 369.509 3.429 20 0 FGADRP C[N@H+](CC[C@@H]1CCC[NH+]1C)CC1CCN(C(=O)Nc2ccccc2)CC1 ZINC000367379861 499192212 /nfs/dbraw/zinc/19/22/12/499192212.db2.gz NIYCUHSDUIWPIZ-FQEVSTJZSA-N 2 0 358.530 3.347 20 0 FGADRP C[N@H+](Cc1ccc(OCC(F)F)cc1)C1CC[NH+](C2CCOCC2)CC1 ZINC000367433103 499198453 /nfs/dbraw/zinc/19/84/53/499198453.db2.gz SQVVIXZUMODIGC-UHFFFAOYSA-N 2 0 368.468 3.406 20 0 FGADRP Cn1cc([C@@H]2[C@@H](C[NH2+][C@H]3Cc4[nH]c5ccccc5c4C3)CCCN2C)cn1 ZINC000370250246 499202170 /nfs/dbraw/zinc/20/21/70/499202170.db2.gz ZOWMKDOPOIBTAA-JLDZCNIISA-N 2 0 363.509 3.041 20 0 FGADRP CN(C)C(=O)Sc1ccc(CN2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@@H]3C2)cc1 ZINC000370253136 499202331 /nfs/dbraw/zinc/20/23/31/499202331.db2.gz VPDAPSAYIWWJLF-QRQLOZEOSA-N 2 0 359.539 3.376 20 0 FGADRP CCC[C@@H](CC)NC(=O)N(C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000370261763 499203290 /nfs/dbraw/zinc/20/32/90/499203290.db2.gz SASKLAPPQMLINX-LJQANCHMSA-N 2 0 366.594 3.403 20 0 FGADRP C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@H]1[NH2+]CCc1nc(C(C)(C)C)cs1 ZINC000370632436 499237517 /nfs/dbraw/zinc/23/75/17/499237517.db2.gz ASOWUEZBYLUNNQ-BRWVUGGUSA-N 2 0 365.587 3.462 20 0 FGADRP C[C@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccc(OC(F)F)cc1 ZINC000370636891 499238428 /nfs/dbraw/zinc/23/84/28/499238428.db2.gz SLDDWLSHAIDRHL-HOCLYGCPSA-N 2 0 353.457 3.107 20 0 FGADRP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]CCCC[NH+]1CCCC[C@H]1C ZINC000370671805 499242581 /nfs/dbraw/zinc/24/25/81/499242581.db2.gz YMCVWXIPUQTMEJ-CGXNFDGLSA-N 3 0 351.579 3.120 20 0 FGADRP c1[nH]nc(-c2cccnc2)c1C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000367962758 499250172 /nfs/dbraw/zinc/25/01/72/499250172.db2.gz KABLYVSBBNZPNO-IFMALSPDSA-N 2 0 373.504 3.426 20 0 FGADRP CCC[NH+]1CCC([NH2+][C@H]2CC23CCN(C(=O)OC(C)(C)C)CC3)CC1 ZINC000368047057 499259089 /nfs/dbraw/zinc/25/90/89/499259089.db2.gz SHFPCKYHLVLTJL-KRWDZBQOSA-N 2 0 351.535 3.240 20 0 FGADRP CC(C)n1c2ccccc2nc1CN1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000368051478 499259550 /nfs/dbraw/zinc/25/95/50/499259550.db2.gz MXSKQCXEIBUJFE-GOSISDBHSA-N 2 0 369.557 3.218 20 0 FGADRP CC(C)[C@@]1(CO)CC[NH+](CCCCCC[N@H+]2CC[C@](CO)(C(C)C)C2)C1 ZINC000368070602 499261521 /nfs/dbraw/zinc/26/15/21/499261521.db2.gz CWPXRTPQANURFH-VXKWHMMOSA-N 2 0 368.606 3.228 20 0 FGADRP C[C@H](NC(=O)c1ccccc1C[NH+](C)C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000368155535 499269530 /nfs/dbraw/zinc/26/95/30/499269530.db2.gz OTDVJDBLBQJYOG-ICSRJNTNSA-N 2 0 365.521 3.389 20 0 FGADRP C[C@@H]([NH2+]Cc1ccnc(-n2ccnc2)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000368421218 499293978 /nfs/dbraw/zinc/29/39/78/499293978.db2.gz BZJFPIDSXLHHHO-WIYYLYMNSA-N 2 0 361.493 3.268 20 0 FGADRP COc1ccc(-c2nc(CN3CCO[C@@H]4C[C@H]([NH+](C)C)CC[C@H]43)co2)cc1 ZINC000371292818 499306565 /nfs/dbraw/zinc/30/65/65/499306565.db2.gz DFUUPWPRYYDDQC-MISYRCLQSA-N 2 0 371.481 3.034 20 0 FGADRP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2Cc1cccc(-c2cccnc2)c1 ZINC000371468347 499330695 /nfs/dbraw/zinc/33/06/95/499330695.db2.gz APSGGKWMDFEZIF-FSSWDIPSSA-N 2 0 351.494 3.432 20 0 FGADRP Cc1ccc2cc(C[N@@H+]3CC[C@@H](N4CC[NH+](C)CC4)[C@@H](C)C3)ccc2n1 ZINC000368930382 499347716 /nfs/dbraw/zinc/34/77/16/499347716.db2.gz KYGNWDDUXVTNDQ-HTAPYJJXSA-N 2 0 352.526 3.001 20 0 FGADRP CCC[NH+]1CCN(C2CC[NH+](C[C@@H]3CCC4(CCCCC4)O3)CC2)CC1 ZINC000369042294 499359658 /nfs/dbraw/zinc/35/96/58/499359658.db2.gz UDBNCCJPSDVOQF-NRFANRHFSA-N 2 0 363.590 3.360 20 0 FGADRP Cc1cc(C)cc([C@@H](O)C[NH2+]Cc2nc3c(s2)CN(C(C)C)CC3)c1 ZINC000369215419 499378221 /nfs/dbraw/zinc/37/82/21/499378221.db2.gz OVXRVERWWPVNFR-SFHVURJKSA-N 2 0 359.539 3.350 20 0 FGADRP C[C@@H](CC(=O)NCC1CC[NH+](CCc2ccccc2)CC1)C1CC[NH2+]CC1 ZINC000372099198 499399000 /nfs/dbraw/zinc/39/90/00/499399000.db2.gz RUUUJABBCLWDNY-IBGZPJMESA-N 2 0 371.569 3.083 20 0 FGADRP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)N2CC[C@@H]([NH+]3CCCC3)C2)CC1 ZINC000369449700 499404596 /nfs/dbraw/zinc/40/45/96/499404596.db2.gz XPSITIRZRNLADC-GHTZIAJQSA-N 2 0 370.541 3.092 20 0 FGADRP O=C(CC[C@@H]1CC[NH2+]C1)N1CCC[C@H]1[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000378294864 499498685 /nfs/dbraw/zinc/49/86/85/499498685.db2.gz RAOIUXWDNGHQCP-GIVPXCGWSA-N 2 0 355.526 3.032 20 0 FGADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC2(C1)CCN(C(=O)OC(C)(C)C)CC2 ZINC000378398429 499511979 /nfs/dbraw/zinc/51/19/79/499511979.db2.gz RVIQSZCEILWOBS-QGZVFWFLSA-N 2 0 351.535 3.194 20 0 FGADRP Cc1ccnc([C@@H](C)[NH2+]CC2CC[NH+](C[C@@H](O)c3ccccc3)CC2)c1 ZINC000375781896 499555400 /nfs/dbraw/zinc/55/54/00/499555400.db2.gz BZPJJCXVVUXXRT-XMSQKQJNSA-N 2 0 353.510 3.486 20 0 FGADRP COc1ccc(C2(C[NH2+][C@@H]3CC[N@H+](C)[C@@H]4CCC[C@@H]43)CCOCC2)cc1 ZINC000375847438 499561656 /nfs/dbraw/zinc/56/16/56/499561656.db2.gz AZMVETFYQXEDHG-NJDAHSKKSA-N 2 0 358.526 3.206 20 0 FGADRP Cn1ccc(N2CC[C@@H]([NH2+]C3CCC([N@H+](C)Cc4ccccc4)CC3)C2)n1 ZINC000375847991 499561852 /nfs/dbraw/zinc/56/18/52/499561852.db2.gz CGTLAWAIEZTEPF-NYLDSWQDSA-N 2 0 367.541 3.032 20 0 FGADRP C[C@@H](Cc1ccccc1F)[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000397529917 499564116 /nfs/dbraw/zinc/56/41/16/499564116.db2.gz YUQIPNNDHGILNU-SFHVURJKSA-N 2 0 356.485 3.373 20 0 FGADRP CC(C)c1nc2c([nH]1)C[C@@H](C(=O)NC[C@@H](c1ccccc1)[NH+](C)C)CC2 ZINC000376059883 499579844 /nfs/dbraw/zinc/57/98/44/499579844.db2.gz YTBYNCWPUFWLKX-LPHOPBHVSA-N 2 0 354.498 3.057 20 0 FGADRP O[C@H](Cc1ccccc1)C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000409446135 499596607 /nfs/dbraw/zinc/59/66/07/499596607.db2.gz NKIRJJURZDKTIV-DNVJHFABSA-N 2 0 350.506 3.044 20 0 FGADRP C[C@H]1[C@@H]([NH2+]C2CCN(Cc3ccncc3)CC2)CCN1Cc1ccccc1 ZINC000376733447 499632896 /nfs/dbraw/zinc/63/28/96/499632896.db2.gz KPTDBZMSJQFLHU-CVDCTZTESA-N 2 0 364.537 3.299 20 0 FGADRP Cc1nccn1-c1ccc([C@@H](C)[NH2+]C[C@H]2CC3(CCC3)C(=O)O2)cc1F ZINC000377014916 499654160 /nfs/dbraw/zinc/65/41/60/499654160.db2.gz VCASURZMFIBDSG-CZUORRHYSA-N 2 0 357.429 3.456 20 0 FGADRP Cc1nccn1-c1ccc([C@@H](C)[NH2+]C[C@@H]2CC3(CCC3)C(=O)O2)cc1F ZINC000377014915 499654205 /nfs/dbraw/zinc/65/42/05/499654205.db2.gz VCASURZMFIBDSG-CJNGLKHVSA-N 2 0 357.429 3.456 20 0 FGADRP C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)NCC[NH+]3CCCCC3)cc2)C1 ZINC000410366276 499657738 /nfs/dbraw/zinc/65/77/38/499657738.db2.gz GTOITMBXSNKISM-LJQANCHMSA-N 2 0 372.557 3.204 20 0 FGADRP O=C(NCC1CC1)[C@@H]1CCC[N@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000411179218 499707340 /nfs/dbraw/zinc/70/73/40/499707340.db2.gz ZWMKZNMCARLCES-JOCHJYFZSA-N 2 0 369.553 3.411 20 0 FGADRP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)NC[C@@H]1CCCC[NH+](Cc2ccccc2)C1 ZINC000573261654 506156146 /nfs/dbraw/zinc/15/61/46/506156146.db2.gz QRIUKMBNENLVJD-CTNGQTDRSA-N 2 0 374.573 3.317 20 0 FGADRP COc1ccc2c(c1)CCC[C@H]2[N@@H+]1CCC[C@H](CN2CC[NH+](C)CC2)C1 ZINC000377618196 499710926 /nfs/dbraw/zinc/71/09/26/499710926.db2.gz BRHOKMZDTDAEAF-XMSQKQJNSA-N 2 0 357.542 3.032 20 0 FGADRP COCCC1(C[N@H+](C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)CCCCC1 ZINC000377617226 499711189 /nfs/dbraw/zinc/71/11/89/499711189.db2.gz AGZRHYNPVCSNOF-FQEVSTJZSA-N 2 0 351.579 3.074 20 0 FGADRP c1cc(CN2CC[NH+](CC3CCOCC3)CC2)cc(C[NH+]2CCCCC2)c1 ZINC000411273563 499720268 /nfs/dbraw/zinc/72/02/68/499720268.db2.gz HZLSLIROMBRPDJ-UHFFFAOYSA-N 2 0 371.569 3.217 20 0 FGADRP COc1cc(C[NH2+]C[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)cc(OC)c1OC ZINC000377763201 499730286 /nfs/dbraw/zinc/73/02/86/499730286.db2.gz RDAUZXHXSMCJBN-GHTZIAJQSA-N 2 0 370.493 3.495 20 0 FGADRP CO[C@@H]1CC[C@H]2OCC[N@H+](Cc3ccc(C[NH+]4CCCCC4)cc3)[C@@H]2C1 ZINC000411409641 499736428 /nfs/dbraw/zinc/73/64/28/499736428.db2.gz UCKQYLURBWOTDN-YPAWHYETSA-N 2 0 358.526 3.441 20 0 FGADRP c1cc(C[NH+]2CCCCC2)cc(C[N@@H+]2CCOCC3(CCOCC3)C2)c1 ZINC000411515054 499750135 /nfs/dbraw/zinc/75/01/35/499750135.db2.gz UKTXJAHQJPHGBL-UHFFFAOYSA-N 2 0 358.526 3.302 20 0 FGADRP COc1cccc2c1C[C@H]([NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1)C2 ZINC000414190753 499767141 /nfs/dbraw/zinc/76/71/41/499767141.db2.gz ROACXSQFOLQZKL-QFBILLFUSA-N 2 0 354.494 3.454 20 0 FGADRP COc1ccsc1[C@H](C)[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000414314299 499776718 /nfs/dbraw/zinc/77/67/18/499776718.db2.gz ZQJAPHIQVIRPPM-INIZCTEOSA-N 2 0 360.523 3.434 20 0 FGADRP CCc1ccc([C@@H](C)[NH2+]Cc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)o1 ZINC000414323345 499777595 /nfs/dbraw/zinc/77/75/95/499777595.db2.gz IKRJVEVQUUXACH-MRXNPFEDSA-N 2 0 369.509 3.390 20 0 FGADRP NC(=O)C1CC[NH+](Cc2ccc(C[NH2+][C@@H]3CCC[C@@H]3C3CC3)cc2)CC1 ZINC000414324928 499778102 /nfs/dbraw/zinc/77/81/02/499778102.db2.gz LGERWZFMDKAWGB-NHCUHLMSSA-N 2 0 355.526 3.052 20 0 FGADRP NC(=O)C1CC[NH+](Cc2ccc(C[NH2+][C@H]3CCC[C@@H](C4CC4)C3)cc2)CC1 ZINC000414330040 499778207 /nfs/dbraw/zinc/77/82/07/499778207.db2.gz RDHQJNROWNRGCM-YADHBBJMSA-N 2 0 369.553 3.442 20 0 FGADRP NC(=O)C1CC[NH+](Cc2ccc(C[NH2+][C@@H]3CCC[C@@H](C4CC4)C3)cc2)CC1 ZINC000414330037 499778396 /nfs/dbraw/zinc/77/83/96/499778396.db2.gz RDHQJNROWNRGCM-FGZHOGPDSA-N 2 0 369.553 3.442 20 0 FGADRP NC(=O)C1CC[NH+](Cc2ccc(C[NH2+][C@@H](C3CC3)C3CCCC3)cc2)CC1 ZINC000414337662 499779057 /nfs/dbraw/zinc/77/90/57/499779057.db2.gz JIWZNNUTUPZLKY-JOCHJYFZSA-N 2 0 369.553 3.442 20 0 FGADRP NC(=O)C1CC[NH+](Cc2ccc(C[NH2+][C@H](C3CC3)C3CCC3)cc2)CC1 ZINC000414344988 499779551 /nfs/dbraw/zinc/77/95/51/499779551.db2.gz SECBOLUNIJMBSP-NRFANRHFSA-N 2 0 355.526 3.052 20 0 FGADRP Cc1cc(C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)ccc1C(F)(F)F ZINC000414411161 499788311 /nfs/dbraw/zinc/78/83/11/499788311.db2.gz PHGJMAOYCCPQFB-VQIMIIECSA-N 2 0 369.475 3.472 20 0 FGADRP OC[C@@]1([C@H]([NH2+]Cc2cccc(C[NH+]3CCCCC3)c2)C2CC2)CCCO1 ZINC000411774288 499789259 /nfs/dbraw/zinc/78/92/59/499789259.db2.gz VBGFBJLJRGQYHF-FGZHOGPDSA-N 2 0 358.526 3.082 20 0 FGADRP Cc1ccc(C[NH2+]Cc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)c(C)c1 ZINC000414553685 499807707 /nfs/dbraw/zinc/80/77/07/499807707.db2.gz JFNGNLQZBBEOCB-UHFFFAOYSA-N 2 0 365.521 3.291 20 0 FGADRP CC[N@@H+](CC(=O)Nc1ccccc1C(F)(F)F)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414729917 499823837 /nfs/dbraw/zinc/82/38/37/499823837.db2.gz GBTWGHAQMKRRMB-UONOGXRCSA-N 2 0 357.420 3.354 20 0 FGADRP C[C@@H]1C[C@H](C[NH+]2CCC(C(=O)Nc3cc(Cl)ccc3O)CC2)CC[NH2+]1 ZINC000414762661 499827645 /nfs/dbraw/zinc/82/76/45/499827645.db2.gz WJWFTGBNFGFXCH-ZIAGYGMSSA-N 2 0 365.905 3.084 20 0 FGADRP C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000414798458 499832705 /nfs/dbraw/zinc/83/27/05/499832705.db2.gz JDUJQSDXVGOVNX-RKVPGOIHSA-N 2 0 351.922 3.184 20 0 FGADRP Clc1ccc(OCc2nc(C[NH2+]CC[C@@H]3CC[NH2+]C3)cs2)cc1 ZINC000414830016 499835323 /nfs/dbraw/zinc/83/53/23/499835323.db2.gz LNLNZFKAXBOLPI-ZDUSSCGKSA-N 2 0 351.903 3.465 20 0 FGADRP COc1ccc(C[NH2+][C@H](C)[C@H]2CCC[NH2+]C2)cc1OCc1cccnc1 ZINC000414856207 499838497 /nfs/dbraw/zinc/83/84/97/499838497.db2.gz OBINOIFVHOYWNT-APWZRJJASA-N 2 0 355.482 3.147 20 0 FGADRP COc1ccc(C[NH2+][C@@H](C)[C@H]2CCC[NH2+]C2)cc1OCc1cccnc1 ZINC000414856208 499838619 /nfs/dbraw/zinc/83/86/19/499838619.db2.gz OBINOIFVHOYWNT-LPHOPBHVSA-N 2 0 355.482 3.147 20 0 FGADRP C[C@@H](C[NH3+])C[NH2+]Cc1cc(Br)ccc1OCc1ccccn1 ZINC000414871606 499839684 /nfs/dbraw/zinc/83/96/84/499839684.db2.gz DLRCNCQVSFDCGW-ZDUSSCGKSA-N 2 0 364.287 3.108 20 0 FGADRP C[NH+](C)CCOc1cccc(NC(=O)N(CCC[NH3+])Cc2ccccc2)c1 ZINC000414888723 499841952 /nfs/dbraw/zinc/84/19/52/499841952.db2.gz RQTUBHQLTZBQAP-UHFFFAOYSA-N 2 0 370.497 3.010 20 0 FGADRP C[C@@H]1C[NH2+]CC[C@@H]1NCc1cnn(Cc2ccc(C(F)(F)F)cc2)c1 ZINC000414931376 499845617 /nfs/dbraw/zinc/84/56/17/499845617.db2.gz BRMZFSJCQVOAJH-DYVFJYSZSA-N 2 0 352.404 3.038 20 0 FGADRP C[C@@H]1CCN(C(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)[C@@H](C[NH3+])C1 ZINC000414961495 499849326 /nfs/dbraw/zinc/84/93/26/499849326.db2.gz ILPVCFBKPCXVKB-YLJYHZDGSA-N 2 0 358.530 3.306 20 0 FGADRP C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000414969123 499849786 /nfs/dbraw/zinc/84/97/86/499849786.db2.gz IYBJPVVBLQGHOX-HIFRSBDPSA-N 2 0 368.319 3.288 20 0 FGADRP CCOc1c(Br)cc(C[NH2+]CCC[C@H]2CCC[NH2+]2)cc1OC ZINC000414979933 499850911 /nfs/dbraw/zinc/85/09/11/499850911.db2.gz VTCPUCCMGGEVRQ-AWEZNQCLSA-N 2 0 371.319 3.478 20 0 FGADRP FC(F)(F)[C@H](C[NH2+]Cc1c(Cl)oc2ccccc21)N1CC[NH2+]CC1 ZINC000414983772 499851466 /nfs/dbraw/zinc/85/14/66/499851466.db2.gz LOUZNXAGFPTJID-AWEZNQCLSA-N 2 0 361.795 3.012 20 0 FGADRP [NH3+][C@@H]1CCC[C@H](C[NH2+]Cc2cnn(-c3ccc(Br)cc3)c2)C1 ZINC000414994635 499852712 /nfs/dbraw/zinc/85/27/12/499852712.db2.gz MJAPLPOEDQRGHM-XJKSGUPXSA-N 2 0 363.303 3.242 20 0 FGADRP COc1ccc(OCc2ccccn2)c(C[NH2+]C[C@H]2CCC[C@H]([NH3+])C2)c1 ZINC000415004067 499853931 /nfs/dbraw/zinc/85/39/31/499853931.db2.gz NRMUHHRQXSEGEM-WMZOPIPTSA-N 2 0 355.482 3.276 20 0 FGADRP COc1ccc(OCc2ccccn2)c(C[NH2+]C[C@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000415004062 499853980 /nfs/dbraw/zinc/85/39/80/499853980.db2.gz NRMUHHRQXSEGEM-FUHWJXTLSA-N 2 0 355.482 3.276 20 0 FGADRP [NH3+]C[C@H]1CC[C@H](C[NH2+]Cc2cc3c(cc2Br)OCO3)CC1 ZINC000415021782 499855607 /nfs/dbraw/zinc/85/56/07/499855607.db2.gz IGBPOWRUKSMKBT-HAQNSBGRSA-N 2 0 355.276 3.033 20 0 FGADRP [NH3+]C[C@@H]1CC[C@@H]([NH2+]Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)C1 ZINC000415042495 499857259 /nfs/dbraw/zinc/85/72/59/499857259.db2.gz QYBYHMGRVOISJJ-RHSMWYFYSA-N 2 0 352.404 3.167 20 0 FGADRP COc1cc(C[NH2+][C@@H]2CC[C@@H](C[NH3+])C2)cc(OC)c1OCc1ccccc1 ZINC000415046356 499857869 /nfs/dbraw/zinc/85/78/69/499857869.db2.gz VBLZMTNXECXQFJ-IEBWSBKVSA-N 2 0 370.493 3.500 20 0 FGADRP Cc1cc(C[NH2+]C2CCC([NH+]3CCNCC3)CC2)ccc1C(F)(F)F ZINC000415057263 499859021 /nfs/dbraw/zinc/85/90/21/499859021.db2.gz RQCWMLITXJIORN-UHFFFAOYSA-N 2 0 355.448 3.320 20 0 FGADRP C[C@@H]1C[C@@H](C[NH2+][C@@H]2CCCN(Cc3ccc(F)cc3Cl)C2)CC[NH2+]1 ZINC000415078189 499861438 /nfs/dbraw/zinc/86/14/38/499861438.db2.gz FWORVZYFZZPSPK-RVKKMQEKSA-N 2 0 353.913 3.421 20 0 FGADRP CC(C)[N@@H+]1CCc2nc(CN3C[C@@H](C)[NH2+]Cc4ccccc43)sc2C1 ZINC000415096559 499863054 /nfs/dbraw/zinc/86/30/54/499863054.db2.gz DRHZIFRZDHSONM-OAHLLOKOSA-N 2 0 356.539 3.408 20 0 FGADRP Cc1ccc(C[NH+]2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)cc1Br ZINC000415115744 499865689 /nfs/dbraw/zinc/86/56/89/499865689.db2.gz XHALGMDZHGSTEW-ROUUACIJSA-N 2 0 367.331 3.476 20 0 FGADRP [NH3+][C@H]1CCO[C@@H](C2CC[NH+](Cc3ccc(OCC(F)F)cc3)CC2)C1 ZINC000415123100 499866471 /nfs/dbraw/zinc/86/64/71/499866471.db2.gz KXOACJSQZCTBSJ-FUHWJXTLSA-N 2 0 354.441 3.049 20 0 FGADRP [NH3+][C@H]1CCO[C@@H](C2CC[NH+](Cc3ccc(OCC(F)(F)F)cc3)CC2)C1 ZINC000415126049 499867138 /nfs/dbraw/zinc/86/71/38/499867138.db2.gz OVCDFSAFVAYXRQ-FUHWJXTLSA-N 2 0 372.431 3.346 20 0 FGADRP [NH3+][C@H]1CCCO[C@@H]1C1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000415126005 499867258 /nfs/dbraw/zinc/86/72/58/499867258.db2.gz LTDUGZMTXZEERU-DLBZAZTESA-N 2 0 353.304 3.167 20 0 FGADRP COc1cccc(Cl)c1CNCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000415135192 499868908 /nfs/dbraw/zinc/86/89/08/499868908.db2.gz PWIQUDGCPZXGCC-UHFFFAOYSA-N 2 0 373.928 3.432 20 0 FGADRP NC1(C[NH2+]Cc2cccc3cccnc32)CC[NH+](Cc2ccccc2)CC1 ZINC000415136801 499869360 /nfs/dbraw/zinc/86/93/60/499869360.db2.gz SHCDBNGHPTWRQE-UHFFFAOYSA-N 2 0 360.505 3.318 20 0 FGADRP Clc1ccc2cccnc2c1C[N@@H+]1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21 ZINC000415144288 499869771 /nfs/dbraw/zinc/86/97/71/499869771.db2.gz VDWJNZVGRKCBNN-AEFFLSMTSA-N 2 0 357.885 3.089 20 0 FGADRP [NH3+][C@H]1CCC[C@@H](CNC(=O)Nc2ccc(OCC[NH+]3CCCCC3)cc2)C1 ZINC000415309549 499885432 /nfs/dbraw/zinc/88/54/32/499885432.db2.gz NJAWUGDAFUYIQS-MSOLQXFVSA-N 2 0 374.529 3.190 20 0 FGADRP [NH3+]CC[C@@H]1CCCN(C(=O)Nc2ccc(OCC[NH+]3CCCCC3)cc2)C1 ZINC000415311696 499885689 /nfs/dbraw/zinc/88/56/89/499885689.db2.gz RKUXCRRYNINMRQ-SFHVURJKSA-N 2 0 374.529 3.144 20 0 FGADRP CC1CC[NH+](CCc2cccc(NC(=O)N[C@@H](C[NH3+])C(C)(C)C)c2)CC1 ZINC000415395526 499891114 /nfs/dbraw/zinc/89/11/14/499891114.db2.gz SJQPOHADLRXHCK-IBGZPJMESA-N 2 0 360.546 3.456 20 0 FGADRP CC1CC[NH+](CCc2cccc(NC(=O)N(C)[C@H](C[NH3+])C3CC3)c2)CC1 ZINC000415394822 499891178 /nfs/dbraw/zinc/89/11/78/499891178.db2.gz RAFVOGDWVMTVDO-HXUWFJFHSA-N 2 0 358.530 3.162 20 0 FGADRP CC[NH2+]Cc1cccc(NC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000415915593 499927969 /nfs/dbraw/zinc/92/79/69/499927969.db2.gz ZJYLHMGSYAFTLR-PXNSSMCTSA-N 2 0 356.514 3.277 20 0 FGADRP C[NH2+]Cc1cccc(NC(=O)N(CCCc2ccccc2)CC[NH+](C)C)c1 ZINC000415914505 499928087 /nfs/dbraw/zinc/92/80/87/499928087.db2.gz ARZFKNYKNNKBSV-UHFFFAOYSA-N 2 0 368.525 3.434 20 0 FGADRP C[NH2+]Cc1ccc(NC(=O)N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)cc1 ZINC000415974239 499936037 /nfs/dbraw/zinc/93/60/37/499936037.db2.gz QMIWBVBURYTPRC-IBGZPJMESA-N 2 0 358.530 3.382 20 0 FGADRP CC[C@@H](CNC(=O)Nc1ccc(C[NH2+]C)cc1)[N@@H+]1CCc2ccccc2C1 ZINC000415982138 499937133 /nfs/dbraw/zinc/93/71/33/499937133.db2.gz DHMPRMWXNJYSDS-NRFANRHFSA-N 2 0 366.509 3.364 20 0 FGADRP Cc1cccc(CN(CC[NH+](C)C)C(=O)Nc2ccc3c(c2)C[NH2+]C3)c1 ZINC000416000064 499939723 /nfs/dbraw/zinc/93/97/23/499939723.db2.gz WNOFPYIVOZMKQW-UHFFFAOYSA-N 2 0 352.482 3.194 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)N(CCC[NH3+])CC2CCCC2)C1 ZINC000417047303 499956915 /nfs/dbraw/zinc/95/69/15/499956915.db2.gz QBBGDWZSWGWUAF-KDURUIRLSA-N 2 0 366.594 3.295 20 0 FGADRP C[N@@H+]1CC[C@@]2(CCN(CCc3cc(Cl)c4c(c3)OCCCO4)C2)C1 ZINC000429000444 499978589 /nfs/dbraw/zinc/97/85/89/499978589.db2.gz TZBNKWXZWVNYRM-LJQANCHMSA-N 2 0 350.890 3.071 20 0 FGADRP O=C(C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)N[C@H](c1ccccc1)C1CCCCC1 ZINC000570451452 506170403 /nfs/dbraw/zinc/17/04/03/506170403.db2.gz MTJGFVZNMYVOSQ-FUPPJEDESA-N 2 0 369.553 3.356 20 0 FGADRP CC[C@H](C(=O)N[C@@H](c1ccc(F)c(F)c1)C(C)(C)[NH+]1CCCC1)[NH+](C)C ZINC000413681974 500023048 /nfs/dbraw/zinc/02/30/48/500023048.db2.gz FRAGXLOPGYPCJG-MSOLQXFVSA-N 2 0 367.484 3.337 20 0 FGADRP O=C(NCCC[C@@H]1CCC[NH2+]1)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000417353317 500047004 /nfs/dbraw/zinc/04/70/04/500047004.db2.gz ISFQTPPSLWYGDU-NRFANRHFSA-N 2 0 372.557 3.394 20 0 FGADRP C[NH2+]C[C@@H]1CCCN1C(=O)c1cccc(C[N@H+](C)Cc2ccccc2)c1 ZINC000429502386 500088920 /nfs/dbraw/zinc/08/89/20/500088920.db2.gz ZPSCPJJCLXHZLC-NRFANRHFSA-N 2 0 351.494 3.143 20 0 FGADRP COC(=O)[C@H](CC[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1)c1ccccc1 ZINC000425419349 500099851 /nfs/dbraw/zinc/09/98/51/500099851.db2.gz KYVIHJKOFCHZOX-TYPHKJRUSA-N 2 0 356.510 3.282 20 0 FGADRP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@@H+](C)[C@@H]2CC[C@@H](C)C2)CC1 ZINC000429564933 500104504 /nfs/dbraw/zinc/10/45/04/500104504.db2.gz HDIVHCZUWHBUBM-WIYYLYMNSA-N 2 0 357.542 3.150 20 0 FGADRP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@@H+](C)[C@H]2CC[C@H](C)C2)CC1 ZINC000429564930 500104533 /nfs/dbraw/zinc/10/45/33/500104533.db2.gz HDIVHCZUWHBUBM-RXVVDRJESA-N 2 0 357.542 3.150 20 0 FGADRP C[C@H]([NH3+])c1ccc(CNC(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)cc1 ZINC000416820183 500129163 /nfs/dbraw/zinc/12/91/63/500129163.db2.gz TYPCNEZPPWGAEL-QFBILLFUSA-N 2 0 370.497 3.326 20 0 FGADRP CCc1ccc([C@@H](CNC(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)[NH+](C)C)cc1 ZINC000416833155 500133071 /nfs/dbraw/zinc/13/30/71/500133071.db2.gz CHAPZMJYVDNDPZ-NHCUHLMSSA-N 2 0 372.557 3.025 20 0 FGADRP [NH3+]CCC[C@@H](NC(=O)NC[C@H](c1ccco1)[NH+]1CCCC1)c1ccccc1 ZINC000416837192 500134466 /nfs/dbraw/zinc/13/44/66/500134466.db2.gz WWQAPINGSKMWER-RTBURBONSA-N 2 0 370.497 3.196 20 0 FGADRP C[NH+](C)Cc1cc(CNC(=O)N[C@H](CCC[NH3+])c2ccccc2)ccc1F ZINC000417656217 500140039 /nfs/dbraw/zinc/14/00/39/500140039.db2.gz FYQDVOMLLSHISL-HXUWFJFHSA-N 2 0 372.488 3.167 20 0 FGADRP C[C@@H](CCCC[NH3+])NC(=O)N[C@H](C[N@@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000417675162 500146285 /nfs/dbraw/zinc/14/62/85/500146285.db2.gz BHCQVJGYOVLRNP-FXAWDEMLSA-N 2 0 374.573 3.276 20 0 FGADRP C[C@@H]([NH3+])c1ccc(CNC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000416882403 500147375 /nfs/dbraw/zinc/14/73/75/500147375.db2.gz AYRTVPGAQRLXFW-QGZVFWFLSA-N 2 0 366.509 3.302 20 0 FGADRP CN(C(=O)NCc1ccccc1C[NH+]1CCCCC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000416899633 500151000 /nfs/dbraw/zinc/15/10/00/500151000.db2.gz GGFVUHVHZHEHAK-WCRBZPEASA-N 2 0 370.541 3.097 20 0 FGADRP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)NC[C@@H]([NH3+])c2ccccc2)CC1 ZINC000417698305 500151638 /nfs/dbraw/zinc/15/16/38/500151638.db2.gz XNDKZWHMRIIJKD-DYESRHJHSA-N 2 0 366.509 3.211 20 0 FGADRP CCC(CC)(CNC(=O)N1CC[C@@](C)(C[NH3+])C1)[NH2+][C@H](C)c1ccccc1 ZINC000417701994 500152857 /nfs/dbraw/zinc/15/28/57/500152857.db2.gz JZYADFJENSXQAO-XLIONFOSSA-N 2 0 360.546 3.276 20 0 FGADRP COc1ccc([C@@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CC[C@@H](O)C2)c(C)c1 ZINC000414104460 500154326 /nfs/dbraw/zinc/15/43/26/500154326.db2.gz FVXCVJRGMUYHKC-YLJYHZDGSA-N 2 0 354.494 3.421 20 0 FGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@H](c2ccc(OC)cc2F)C(C)C)CC1 ZINC000421827584 500160929 /nfs/dbraw/zinc/16/09/29/500160929.db2.gz YIRBZIONMPRTFO-UWJYYQICSA-N 2 0 365.537 3.395 20 0 FGADRP COc1ccc([C@H]([NH2+]CC2CC[NH+](CCN(C)C)CC2)C(C)C)c(F)c1 ZINC000421826836 500161224 /nfs/dbraw/zinc/16/12/24/500161224.db2.gz UWDSHXWBISCUBI-OAQYLSRUSA-N 2 0 365.537 3.395 20 0 FGADRP COC1([C@H](C)[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CCOCC1 ZINC000421867961 500166207 /nfs/dbraw/zinc/16/62/07/500166207.db2.gz PTWBJWRMFCWTPW-MJUUVYJYSA-N 2 0 358.526 3.071 20 0 FGADRP C[C@H](CCNC(=O)N1CCC2(CC[NH2+]CC2)CC1)[N@H+](C)Cc1ccccc1 ZINC000417791500 500172700 /nfs/dbraw/zinc/17/27/00/500172700.db2.gz AAPYEKKSUZTIJK-LJQANCHMSA-N 2 0 372.557 3.072 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)NCC[C@H]2CCC[NH2+]2)C1 ZINC000416984343 500174768 /nfs/dbraw/zinc/17/47/68/500174768.db2.gz HBMROHAEGLBAON-LVCYWYKZSA-N 2 0 372.557 3.106 20 0 FGADRP C[NH2+][C@@H]1CCCN(C(=O)NCc2ccc(C[NH+]3C[C@@H](C)C[C@H](C)C3)cc2)C1 ZINC000416983944 500174835 /nfs/dbraw/zinc/17/48/35/500174835.db2.gz GJTZTCVTGLQGLL-BBTUJRGHSA-N 2 0 372.557 3.058 20 0 FGADRP CCCN(C(=O)NCC[C@@H](C)[N@H+](C)Cc1ccccc1)C1CC[NH2+]CC1 ZINC000417808521 500176618 /nfs/dbraw/zinc/17/66/18/500176618.db2.gz FNRINXSTDAMFKQ-GOSISDBHSA-N 2 0 360.546 3.071 20 0 FGADRP [NH3+]CCC[C@H](NC(=O)NC1CC[NH+](C2CCCC2)CC1)c1ccccc1 ZINC000417825237 500178975 /nfs/dbraw/zinc/17/89/75/500178975.db2.gz MRTKZJKSOVIMHI-FQEVSTJZSA-N 2 0 358.530 3.173 20 0 FGADRP CCc1ccccc1[C@@H]([NH3+])CNC(=O)c1ccccc1CC1CC[NH2+]CC1 ZINC000417833184 500180250 /nfs/dbraw/zinc/18/02/50/500180250.db2.gz LSHRKDZEFNSVJP-QFIPXVFZSA-N 2 0 365.521 3.221 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)NC[C@H]([NH3+])c1ccccc1)c1ccsc1 ZINC000417002041 500181279 /nfs/dbraw/zinc/18/12/79/500181279.db2.gz FPUJGIAIVMDMGE-ROUUACIJSA-N 2 0 360.527 3.130 20 0 FGADRP CC(C)C[C@H](CNC(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1)[NH2+][C@H](C)c1ccccc1 ZINC000417865358 500187115 /nfs/dbraw/zinc/18/71/15/500187115.db2.gz CNPNPBQPDYJWOR-WLRLJWMZSA-N 2 0 372.557 3.145 20 0 FGADRP CC(C)C[C@@H](CNC(=O)N(C)C1CC[NH2+]CC1)[NH2+][C@H](C)c1ccccc1 ZINC000417867721 500187538 /nfs/dbraw/zinc/18/75/38/500187538.db2.gz FRJFVFDYKRWAJJ-MJGOQNOKSA-N 2 0 360.546 3.145 20 0 FGADRP CCCC[N@H+](CC)Cc1cccc(CNC(=O)N2CC[C@@H]([NH3+])[C@H](C)C2)c1 ZINC000417870430 500187938 /nfs/dbraw/zinc/18/79/38/500187938.db2.gz FXXVAQKMPZVZDJ-YLJYHZDGSA-N 2 0 360.546 3.187 20 0 FGADRP CC(C)C[C@H](CNC(=O)N1CC[C@H]([C@H](C)[NH3+])C1)[NH2+][C@@H](C)c1ccccc1 ZINC000417869685 500188367 /nfs/dbraw/zinc/18/83/67/500188367.db2.gz HNZAPEDSDJNBJU-QGZVKYPTSA-N 2 0 360.546 3.131 20 0 FGADRP CC(C)C[C@H](CNC(=O)N[C@@H]1CC[NH2+][C@H](C)C1)[NH2+][C@H](C)c1ccccc1 ZINC000417872673 500188847 /nfs/dbraw/zinc/18/88/47/500188847.db2.gz LBVBHTWPVPZSTL-HNBVOPMISA-N 2 0 360.546 3.192 20 0 FGADRP CCC1(CNC(=O)N2CC[C@H]([C@H](C)[NH3+])C2)CC[NH+](Cc2ccccc2)CC1 ZINC000417922389 500198313 /nfs/dbraw/zinc/19/83/13/500198313.db2.gz IXDVXFVDMXVHRR-ICSRJNTNSA-N 2 0 372.557 3.058 20 0 FGADRP C[C@@H]1C[C@H](NCc2ccc(F)cc2I)CC[N@@H+]1C ZINC000417959125 500204765 /nfs/dbraw/zinc/20/47/65/500204765.db2.gz LKKHPAJBLSYUAY-ZWNOBZJWSA-N 2 0 362.230 3.003 20 0 FGADRP C[C@H](NC(=O)N(CCC[NH3+])CC1CCCC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000417992485 500211236 /nfs/dbraw/zinc/21/12/36/500211236.db2.gz MQAJLQMTXYSWET-HKUYNNGSSA-N 2 0 364.578 3.190 20 0 FGADRP C[C@@H](CCNC(=O)N[C@H](C[NH3+])c1ccc2ccccc2c1)[NH+]1CCCCC1 ZINC000417997871 500211630 /nfs/dbraw/zinc/21/16/30/500211630.db2.gz GMWMLGFKXSBNMT-LAUBAEHRSA-N 2 0 368.525 3.403 20 0 FGADRP CCn1cncc1CN[C@H]1CCN(c2ccc(Cl)cc2Cl)C1=O ZINC000418002518 500212605 /nfs/dbraw/zinc/21/26/05/500212605.db2.gz AEPINPXJPGSWRC-AWEZNQCLSA-N 2 0 353.253 3.105 20 0 FGADRP CC1=C[C@H](C)C[N@@H+]([C@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000430260976 500217793 /nfs/dbraw/zinc/21/77/93/500217793.db2.gz IBCSBPKRLNGMRH-PKOBYXMFSA-N 2 0 355.526 3.054 20 0 FGADRP C[C@@H](NC(=O)C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1)c1ccc2c(c1)CCCC2 ZINC000579474349 506183776 /nfs/dbraw/zinc/18/37/76/506183776.db2.gz UCSAKPISOYEECP-VGSWGCGISA-N 2 0 369.553 3.064 20 0 FGADRP C[C@H]([NH3+])[C@H]1CCCN(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)C1 ZINC000418156838 500238732 /nfs/dbraw/zinc/23/87/32/500238732.db2.gz NPJYOHPLXKPHEN-IHPCNDPISA-N 2 0 372.557 3.056 20 0 FGADRP CCCN(C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)[C@@H]1CC[NH2+]C1 ZINC000418166629 500241054 /nfs/dbraw/zinc/24/10/54/500241054.db2.gz ZOAYIYZIGQDAAG-WOJBJXKFSA-N 2 0 372.557 3.071 20 0 FGADRP Cc1ccccc1[C@H]([C@H](C)NC(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1)[NH+](C)C ZINC000418183992 500244332 /nfs/dbraw/zinc/24/43/32/500244332.db2.gz PFKVPKZJADMWJL-DSKINZAPSA-N 2 0 372.557 3.017 20 0 FGADRP CCc1ccc([C@H](CNC(=O)N2CC[C@@H]([NH3+])[C@H](C)C2)[NH+](CC)CC)cc1 ZINC000418215419 500250761 /nfs/dbraw/zinc/25/07/61/500250761.db2.gz MXBYOKLNSQDBDL-AHRSYUTCSA-N 2 0 360.546 3.011 20 0 FGADRP CC[NH2+]CC1CC[NH+](CCC(=O)Nc2cccc(C(F)(F)F)c2)CC1 ZINC000430539804 500251029 /nfs/dbraw/zinc/25/10/29/500251029.db2.gz FWJPAALUEVINCK-UHFFFAOYSA-N 2 0 357.420 3.356 20 0 FGADRP CCCC[C@@H](C[NH3+])NC(=O)NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000418240129 500254245 /nfs/dbraw/zinc/25/42/45/500254245.db2.gz PHHDGFZHKFWIPF-UXHICEINSA-N 2 0 360.546 3.105 20 0 FGADRP C[NH2+]CCC1CCN(C(=O)NCC2([N@H+](C)Cc3ccccc3)CCC2)CC1 ZINC000418253612 500255814 /nfs/dbraw/zinc/25/58/14/500255814.db2.gz ZEWAUJSNQJUSGI-UHFFFAOYSA-N 2 0 372.557 3.072 20 0 FGADRP CC[NH2+]CC1CC[NH+]([C@H](C)C(=O)Nc2ccccc2C(F)(F)F)CC1 ZINC000430584572 500258718 /nfs/dbraw/zinc/25/87/18/500258718.db2.gz UWEWUYVTSYXSNV-CYBMUJFWSA-N 2 0 357.420 3.354 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@H]([NH3+])c2ccc(C(C)C)cc2)[C@H](C)C1 ZINC000418325644 500262543 /nfs/dbraw/zinc/26/25/43/500262543.db2.gz JKKXGOQLYHJPQB-UXPWSPDFSA-N 2 0 360.546 3.182 20 0 FGADRP C[C@H]([NH2+]C1(CNC(=O)[C@@H]2CCC[N@@H+]2C2CC2)CCCC1)c1ccccc1 ZINC000426413486 500270750 /nfs/dbraw/zinc/27/07/50/500270750.db2.gz WWDUZCUOTOCZRG-PXNSSMCTSA-N 2 0 355.526 3.393 20 0 FGADRP C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)N[C@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000418410219 500273274 /nfs/dbraw/zinc/27/32/74/500273274.db2.gz OMLUDZRABQCSBA-RTWAWAEBSA-N 2 0 372.557 3.058 20 0 FGADRP CC[N@H+](CCC1CCN(C(=O)NC[C@H]([NH3+])c2ccccc2)CC1)CC1CC1 ZINC000418423091 500274098 /nfs/dbraw/zinc/27/40/98/500274098.db2.gz FDEFCZLOWLJLBG-NRFANRHFSA-N 2 0 372.557 3.230 20 0 FGADRP CCC([NH3+])(CC)CNC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000418435736 500276768 /nfs/dbraw/zinc/27/67/68/500276768.db2.gz IBGJRGMQWHFIPJ-MJGOQNOKSA-N 2 0 360.546 3.198 20 0 FGADRP CCCC[C@H](C[NH3+])NC(=O)N(CC)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000418458371 500279549 /nfs/dbraw/zinc/27/95/49/500279549.db2.gz FMVCBQMKWIKCBV-WOJBJXKFSA-N 2 0 360.546 3.058 20 0 FGADRP CCCC[C@H](C[NH3+])NC(=O)N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000418461663 500280002 /nfs/dbraw/zinc/28/00/02/500280002.db2.gz JFBPMAYXMADVBS-IEBWSBKVSA-N 2 0 352.567 3.190 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H](C[NH3+])c2ccc3ccccc3c2)C[C@H]1C ZINC000418482515 500282086 /nfs/dbraw/zinc/28/20/86/500282086.db2.gz FBTWXGLEMKFHDN-CZAAIQMYSA-N 2 0 368.525 3.354 20 0 FGADRP [NH3+]C[C@H](NC(=O)NC[C@H]1[NH2+]CCc2ccccc21)c1ccc2ccccc2c1 ZINC000418497879 500284455 /nfs/dbraw/zinc/28/44/55/500284455.db2.gz IUORSRQUTJDLML-FCHUYYIVSA-N 2 0 374.488 3.026 20 0 FGADRP Cc1ccc(-c2noc(CCC[N@@H+]3C[C@H](C[NH3+])[C@@H](C)C[C@@H]3C)n2)cc1F ZINC000422641649 500285372 /nfs/dbraw/zinc/28/53/72/500285372.db2.gz YETDHZWQKPNBKH-ZOBUZTSGSA-N 2 0 360.477 3.422 20 0 FGADRP CC(C)CN(CC[NH+](C)C)C(=O)N[C@@H](C[NH3+])c1ccc2ccccc2c1 ZINC000418502770 500285686 /nfs/dbraw/zinc/28/56/86/500285686.db2.gz VYSHWTOUJCCEOX-FQEVSTJZSA-N 2 0 356.514 3.069 20 0 FGADRP FC(F)(F)c1cccc(CCC[NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)c1 ZINC000422699643 500286830 /nfs/dbraw/zinc/28/68/30/500286830.db2.gz AVOKGQHCCVIJSS-RCCFBDPRSA-N 2 0 356.432 3.385 20 0 FGADRP FC(F)(F)c1cccc(C2(C[NH2+][C@@H]3CCOC[C@@H]3[C@@H]3CCC[NH2+]3)CC2)c1 ZINC000422702419 500287027 /nfs/dbraw/zinc/28/70/27/500287027.db2.gz KRNOEQPBOCUPPO-FGTMMUONSA-N 2 0 368.443 3.484 20 0 FGADRP CC(=O)Nc1ccc(CC[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422710897 500288560 /nfs/dbraw/zinc/28/85/60/500288560.db2.gz GKGZCNQKKKCTKG-IFMALSPDSA-N 2 0 365.477 3.033 20 0 FGADRP O=C1CCCN1Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)cc1 ZINC000422715765 500289404 /nfs/dbraw/zinc/28/94/04/500289404.db2.gz MPTSWDPKRAAGFQ-NJDAHSKKSA-N 2 0 355.526 3.209 20 0 FGADRP C[C@H](CC(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1)[C@H]1CCC[NH2+]C1 ZINC000430812190 500289504 /nfs/dbraw/zinc/28/95/04/500289504.db2.gz UWVZAEZGDKLESQ-YLAKUSLOSA-N 2 0 363.571 3.273 20 0 FGADRP FC(F)(F)Oc1cccc(N2CC[C@@H]([NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)c1 ZINC000422726505 500290645 /nfs/dbraw/zinc/29/06/45/500290645.db2.gz FARRSLJUQANLEY-PEUVFPKISA-N 2 0 355.404 3.037 20 0 FGADRP COc1cccc([C@H](CNC(=O)[C@H]2CCCCCC[C@H]2[NH3+])[NH+]2CCCC2)c1 ZINC000430821949 500291318 /nfs/dbraw/zinc/29/13/18/500291318.db2.gz NDJLQLDEPNYAQH-HBMCJLEFSA-N 2 0 373.541 3.246 20 0 FGADRP c1ccc2c(c1)O[C@@]1(CC[NH2+]C1)C[C@H]2[NH2+]CCc1ccc2c(c1)CCO2 ZINC000422731656 500291808 /nfs/dbraw/zinc/29/18/08/500291808.db2.gz NVRRPSWGOWKVLI-KNQAVFIVSA-N 2 0 350.462 3.010 20 0 FGADRP CCOc1cc(C[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)ccc1OC ZINC000422735055 500292090 /nfs/dbraw/zinc/29/20/90/500292090.db2.gz UKAHBCRWBXEIDE-GCJKJVERSA-N 2 0 368.477 3.439 20 0 FGADRP CCN(CC)[C@H](C[NH2+][C@@H]1CCOC[C@H]1[C@@H](C)[NH3+])c1ccccc1Cl ZINC000422741409 500293135 /nfs/dbraw/zinc/29/31/35/500293135.db2.gz DLFLRTCYRIYUIH-IWKCEXAMSA-N 2 0 353.938 3.065 20 0 FGADRP COc1ccccc1[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)N1CCCC1 ZINC000422745631 500293319 /nfs/dbraw/zinc/29/33/19/500293319.db2.gz MPXOICSOSCCVLY-PMXSJFBMSA-N 2 0 357.542 3.342 20 0 FGADRP COc1cccc([C@H](C[NH2+][C@@H](C)c2ccc(C[NH3+])nc2C)N2CCCC2)c1 ZINC000422756486 500294420 /nfs/dbraw/zinc/29/44/20/500294420.db2.gz IXLIZLGWRHRFJZ-AOMKIAJQSA-N 2 0 368.525 3.345 20 0 FGADRP CN(CCC[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1ccccc1 ZINC000422758703 500294550 /nfs/dbraw/zinc/29/45/50/500294550.db2.gz KPCWEUSJYPULLC-IRLDBZIGSA-N 2 0 351.494 3.358 20 0 FGADRP COc1ccc([C@H](NC[C@H](c2ccccc2)[NH+](C)C)[C@H]2CCC[NH2+]2)cc1 ZINC000422755711 500294661 /nfs/dbraw/zinc/29/46/61/500294661.db2.gz KXOFWDBPCYYJSZ-VSKRKVRLSA-N 2 0 353.510 3.381 20 0 FGADRP CCOC(=O)C1([C@@H](C)[NH2+]Cc2ccc(-c3ccncc3)cc2)CC[NH2+]CC1 ZINC000422761180 500295176 /nfs/dbraw/zinc/29/51/76/500295176.db2.gz HIVFLLGWZNIWDB-QGZVFWFLSA-N 2 0 367.493 3.160 20 0 FGADRP CCOC(=O)C1([C@H](C)[NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2)CC[NH2+]CC1 ZINC000422765885 500295371 /nfs/dbraw/zinc/29/53/71/500295371.db2.gz PPRFVFLAMMPYIA-DFQSSKMNSA-N 2 0 358.526 3.309 20 0 FGADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CC1(c2ccc(F)cc2)CCOCC1 ZINC000422768550 500295865 /nfs/dbraw/zinc/29/58/65/500295865.db2.gz URRIGCNJQUUPDK-LAUBAEHRSA-N 2 0 356.485 3.422 20 0 FGADRP C[C@H](C[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)Oc1ccccc1F ZINC000422791273 500298125 /nfs/dbraw/zinc/29/81/25/500298125.db2.gz QBYUYANLEGKBBJ-FQELHTAISA-N 2 0 356.441 3.439 20 0 FGADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]Cc1ccc(OCc2cccc(F)c2)cc1 ZINC000422801121 500299497 /nfs/dbraw/zinc/29/94/97/500299497.db2.gz DQRYWANNBFRTQS-ONGXBYRLSA-N 2 0 358.457 3.247 20 0 FGADRP C[C@@H]([NH2+]CCCOC1CC[NH+](Cc2ccccc2)CC1)c1cnccc1N ZINC000422820152 500301739 /nfs/dbraw/zinc/30/17/39/500301739.db2.gz PEHVWSDYTQGOHA-GOSISDBHSA-N 2 0 368.525 3.216 20 0 FGADRP C[C@@H]([NH2+]CCCOC1CC[NH+](Cc2ccccc2)CC1)[C@H]1CCCC[NH2+]1 ZINC000422820313 500301898 /nfs/dbraw/zinc/30/18/98/500301898.db2.gz PXEMRNALSKGRFO-DENIHFKCSA-N 3 0 359.558 3.178 20 0 FGADRP c1cn(Cc2ccccc2)c(CC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)n1 ZINC000422816659 500302092 /nfs/dbraw/zinc/30/20/92/500302092.db2.gz FQFYNOXHSGPYIE-PCCBWWKXSA-N 2 0 352.526 3.374 20 0 FGADRP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCC1CCN(CC(F)(F)F)CC1 ZINC000422820474 500302214 /nfs/dbraw/zinc/30/22/14/500302214.db2.gz QTYBRKWMHHNRLC-QAPCUYQASA-N 2 0 357.464 3.199 20 0 FGADRP O=C1CCCN1Cc1ccccc1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000422828735 500303587 /nfs/dbraw/zinc/30/35/87/500303587.db2.gz GQOMZXHREUBRAR-NJDAHSKKSA-N 2 0 355.526 3.209 20 0 FGADRP CC(C)[C@@H](C(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2)[NH+](C)C ZINC000426663936 500303669 /nfs/dbraw/zinc/30/36/69/500303669.db2.gz OJTCCMIKNOWTRV-RBBKRZOGSA-N 2 0 357.542 3.087 20 0 FGADRP C[C@H](CCCC[NH3+])NC(=O)N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000418665358 500303994 /nfs/dbraw/zinc/30/39/94/500303994.db2.gz CAGCFYHIHKCMNR-QZTJIDSGSA-N 2 0 352.567 3.190 20 0 FGADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1 ZINC000422837642 500304447 /nfs/dbraw/zinc/30/44/47/500304447.db2.gz MQTFMTLELFSHGW-NQIIRXRSSA-N 3 0 359.558 3.044 20 0 FGADRP CC[C@H](C[NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1)Oc1ccccc1Cl ZINC000422842964 500304736 /nfs/dbraw/zinc/30/47/36/500304736.db2.gz ZXFDLVFXNDPSOC-MXSMSXNCSA-N 2 0 352.906 3.244 20 0 FGADRP CC[C@H](C[NH2+][C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1)Oc1ccccc1Cl ZINC000422842962 500304758 /nfs/dbraw/zinc/30/47/58/500304758.db2.gz ZXFDLVFXNDPSOC-CYGHRXIMSA-N 2 0 352.906 3.244 20 0 FGADRP O=C(c1ccccc1F)N1CCC([NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)CC1 ZINC000422861162 500306509 /nfs/dbraw/zinc/30/65/09/500306509.db2.gz MJNCBOPJDIJAQH-CEWLAPEOSA-N 2 0 373.516 3.331 20 0 FGADRP COCCOc1ccc(C[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422860293 500306575 /nfs/dbraw/zinc/30/65/75/500306575.db2.gz LHXWWEMHVKANBA-IFMALSPDSA-N 2 0 368.477 3.057 20 0 FGADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000422873220 500308137 /nfs/dbraw/zinc/30/81/37/500308137.db2.gz KOKCPEZXXPOYMY-JBLDHEPKSA-N 2 0 350.816 3.048 20 0 FGADRP C[NH2+]CC1CC[NH+](CC(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)CC1 ZINC000430927624 500308514 /nfs/dbraw/zinc/30/85/14/500308514.db2.gz JAMTWDJEUSWQDS-LBPRGKRZSA-N 2 0 358.313 3.102 20 0 FGADRP C[NH2+]CC1CC[NH+](CC(=O)N(Cc2ccccc2)c2ccccc2)CC1 ZINC000430931589 500309019 /nfs/dbraw/zinc/30/90/19/500309019.db2.gz ZQBCEQOEIIXPTB-UHFFFAOYSA-N 2 0 351.494 3.151 20 0 FGADRP C[C@H]([NH3+])C1CC[NH+]([C@@H](C)C(=O)NC(c2ccccc2)c2ccccc2)CC1 ZINC000430934387 500309879 /nfs/dbraw/zinc/30/98/79/500309879.db2.gz MDNLMPUOWXRJEL-ROUUACIJSA-N 2 0 365.521 3.340 20 0 FGADRP COC[C@H](CCC[NH3+])[NH2+]C[C@H](c1ccccc1)N1CCc2sccc2C1 ZINC000422883283 500310083 /nfs/dbraw/zinc/31/00/83/500310083.db2.gz QIYADRCKAYGOEQ-VQTJNVASSA-N 2 0 373.566 3.191 20 0 FGADRP CC(C)(C)CC(C)(C)[NH+]1CCN(C(=O)NC[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000418707347 500310316 /nfs/dbraw/zinc/31/03/16/500310316.db2.gz BOKDUFDWSTYONO-IRXDYDNUSA-N 2 0 352.567 3.046 20 0 FGADRP C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)N1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000430940184 500310373 /nfs/dbraw/zinc/31/03/73/500310373.db2.gz JCXVFAXDWUUGQF-JFIYKMOQSA-N 2 0 353.466 3.475 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2C[NH2+][C@H](C2CC2)[C@@H]2CNCCO2)C1 ZINC000422887305 500311006 /nfs/dbraw/zinc/31/10/06/500311006.db2.gz AZAUFJDTTVGARK-OVNVTHAWSA-N 2 0 371.569 3.021 20 0 FGADRP C[C@@H](CCC[NH3+])[NH2+][C@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1 ZINC000422885037 500311029 /nfs/dbraw/zinc/31/10/29/500311029.db2.gz SZRKGPVNCQUQHX-XJKSGUPXSA-N 2 0 357.420 3.086 20 0 FGADRP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@H]1CCC[C@@H]([NH3+])C1 ZINC000418715877 500311968 /nfs/dbraw/zinc/31/19/68/500311968.db2.gz BPOYHTCFPUKGRB-PWRODBHTSA-N 2 0 372.557 3.058 20 0 FGADRP C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)NC[C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000418716627 500311973 /nfs/dbraw/zinc/31/19/73/500311973.db2.gz JGFNRWJMCRUZLD-NHCUHLMSSA-N 2 0 372.557 3.058 20 0 FGADRP CC[NH+](CC)CCOc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000422893648 500312073 /nfs/dbraw/zinc/31/20/73/500312073.db2.gz QVSQRZGVQXGPDX-FDFHNCONSA-N 3 0 359.558 3.418 20 0 FGADRP FC(F)(F)c1ccn(-c2ccc(C[NH+]3CCC4(CC[NH2+]C4)CC3)cc2)n1 ZINC000430948891 500312136 /nfs/dbraw/zinc/31/21/36/500312136.db2.gz AQVVCKXZVBUDCC-UHFFFAOYSA-N 2 0 364.415 3.467 20 0 FGADRP C[C@@H]([NH2+]C[C@H]1CCN(c2cccc(Br)c2)C1)[C@H]1CCC[NH2+]1 ZINC000422896117 500312341 /nfs/dbraw/zinc/31/23/41/500312341.db2.gz HJRHXXRKENNBBA-CKEIUWERSA-N 2 0 352.320 3.006 20 0 FGADRP CC[NH+]1CCN(Cc2ccccc2CN[C@@H]2C[C@@H]([NH3+])c3ccccc32)CC1 ZINC000422893939 500312532 /nfs/dbraw/zinc/31/25/32/500312532.db2.gz RPWISIMYJYNNSB-DHIUTWEWSA-N 2 0 364.537 3.059 20 0 FGADRP C[C@@H]([NH2+]C[C@@H]1CCN(c2cccc(Br)c2)C1)[C@@H]1CCCC[NH2+]1 ZINC000422903522 500313852 /nfs/dbraw/zinc/31/38/52/500313852.db2.gz WHPITGQNKUDPSX-VKJFTORMSA-N 2 0 366.347 3.396 20 0 FGADRP COc1ccc(Cl)cc1C1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)CCOCC1 ZINC000422907846 500314546 /nfs/dbraw/zinc/31/45/46/500314546.db2.gz XURUYLLFPYMQKX-SJPCQFCGSA-N 2 0 364.917 3.269 20 0 FGADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@@H]1CCCN(Cc2c(F)cccc2F)C1 ZINC000422906883 500314661 /nfs/dbraw/zinc/31/46/61/500314661.db2.gz KNPXCJQJIDNTNC-NVXWUHKLSA-N 2 0 374.479 3.442 20 0 FGADRP CCOC(=O)C1([C@@H](C)[NH2+][C@H](C)c2c(F)cccc2Cl)CC[NH2+]CC1 ZINC000422922039 500317124 /nfs/dbraw/zinc/31/71/24/500317124.db2.gz RQBWYDONALSHHE-CHWSQXEVSA-N 2 0 356.869 3.451 20 0 FGADRP CCOC(=O)C1([C@@H](C)[NH2+]CC2(Cc3ccccc3)CCC2)CC[NH2+]CC1 ZINC000422929643 500318507 /nfs/dbraw/zinc/31/85/07/500318507.db2.gz QXAQGIYEDYFBBT-GOSISDBHSA-N 2 0 358.526 3.310 20 0 FGADRP CCN(C(=O)NCCC[C@@H]1CCC[NH2+]1)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000418780669 500322684 /nfs/dbraw/zinc/32/26/84/500322684.db2.gz YOPKGHFXYGCZDJ-GIVPXCGWSA-N 2 0 372.557 3.386 20 0 FGADRP C[C@@H](NC(=O)[C@H](C)[NH+]1CCC2(CC[NH2+]C2)CC1)c1ccc2c(c1)CCCC2 ZINC000431012963 500322848 /nfs/dbraw/zinc/32/28/48/500322848.db2.gz HGJXARHTXQSIGT-MSOLQXFVSA-N 2 0 369.553 3.207 20 0 FGADRP COc1cccc(C[C@H](C)[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000422956000 500323062 /nfs/dbraw/zinc/32/30/62/500323062.db2.gz OCNTYWCFQLERKM-BUKVSMQUSA-N 2 0 352.478 3.472 20 0 FGADRP C[NH+](C)C1CCN(c2ccc(N[C@@H]3C[C@H]([NH3+])c4ccccc43)nc2)CC1 ZINC000422955317 500323421 /nfs/dbraw/zinc/32/34/21/500323421.db2.gz LSUSKNZDCOZZBT-VQTJNVASSA-N 2 0 351.498 3.169 20 0 FGADRP Fc1ccc2c(c1)[C@H]([NH2+][C@@H]1C[C@]3(CC[NH2+]C3)Oc3ccccc31)CCO2 ZINC000422958094 500324094 /nfs/dbraw/zinc/32/40/94/500324094.db2.gz ONQKXXZOYSHKBC-OPYAIIAOSA-N 2 0 354.425 3.495 20 0 FGADRP C[C@@H]1C[N@@H+](CCC2CC[NH+](CCOc3cccc(F)c3)CC2)C[C@H](C)O1 ZINC000426821330 500324945 /nfs/dbraw/zinc/32/49/45/500324945.db2.gz RUJDYCFWYIQLJB-HDICACEKSA-N 2 0 364.505 3.416 20 0 FGADRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2ccc3c(ccn3CCC[NH3+])c2)C1 ZINC000431033584 500326418 /nfs/dbraw/zinc/32/64/18/500326418.db2.gz JATKFNGNGSGRBZ-QGZVFWFLSA-N 2 0 370.541 3.230 20 0 FGADRP OCCC[C@H]([NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ccccc1 ZINC000422979093 500326822 /nfs/dbraw/zinc/32/68/22/500326822.db2.gz LGJKPDJKDLRMIQ-TUNNFDKTSA-N 2 0 352.478 3.346 20 0 FGADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CCc1nc(-c2cccc(Cl)c2)no1 ZINC000422983858 500326948 /nfs/dbraw/zinc/32/69/48/500326948.db2.gz VLQQGHORRQCFDN-GFCCVEGCSA-N 2 0 371.872 3.445 20 0 FGADRP COCC[C@H](Cc1ccco1)[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423035519 500333861 /nfs/dbraw/zinc/33/38/61/500333861.db2.gz RRKJQOIZOMNAOZ-LKUPVBHCSA-N 2 0 356.466 3.073 20 0 FGADRP CCC[N@H+](CCC(=O)Nc1cccc(Br)c1)C1CC[NH2+]CC1 ZINC000431086123 500334145 /nfs/dbraw/zinc/33/41/45/500334145.db2.gz RZTDHEQQDZKWFL-UHFFFAOYSA-N 2 0 368.319 3.242 20 0 FGADRP CCOC(=O)C1([C@@H](C)[NH2+][C@H](C)CSc2ccc(C)cc2)CC[NH2+]CC1 ZINC000423044385 500334394 /nfs/dbraw/zinc/33/43/94/500334394.db2.gz AMHDVRDFYBDWJQ-IAGOWNOFSA-N 2 0 364.555 3.387 20 0 FGADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]Cc1ccc(OCc2ccccc2F)cc1 ZINC000423051783 500335596 /nfs/dbraw/zinc/33/55/96/500335596.db2.gz PAYDYGMQWVTGLX-DLVCFXQMSA-N 2 0 358.457 3.247 20 0 FGADRP C[C@H](CCC[NH3+])[NH2+][C@H](CO)c1ccc(Br)cc1C(F)(F)F ZINC000423099356 500341766 /nfs/dbraw/zinc/34/17/66/500341766.db2.gz TXOVNJBBLDNXKP-NOZJJQNGSA-N 2 0 369.225 3.218 20 0 FGADRP O=C([C@@H]1CCC[N@@H+]1C1CC1)N1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000427056366 500349128 /nfs/dbraw/zinc/34/91/28/500349128.db2.gz FEZHTTZCZGIYEL-BVSLBCMMSA-N 2 0 367.537 3.126 20 0 FGADRP Cc1c(Br)cccc1C[C@@H](CO)C[NH2+][C@@H](C)CCCC[NH3+] ZINC000423168788 500350812 /nfs/dbraw/zinc/35/08/12/500350812.db2.gz YOZHRZFIDSOIEF-DZGCQCFKSA-N 2 0 357.336 3.016 20 0 FGADRP Brc1cccc([C@H]([NH2+]CCN2CC[NH2+]CC2)c2ccccc2)c1 ZINC000423207146 500354877 /nfs/dbraw/zinc/35/48/77/500354877.db2.gz RFFRIRQDRAVXBM-LJQANCHMSA-N 2 0 374.326 3.033 20 0 FGADRP C[C@@H]([NH2+]C1CCC([NH3+])CC1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000423221483 500355792 /nfs/dbraw/zinc/35/57/92/500355792.db2.gz WVKYBXILHWJRRT-ODIFPOPNSA-N 2 0 350.528 3.323 20 0 FGADRP FC(F)(F)c1ccn(-c2ccc(C[N@@H+]3CC[C@@H]4[NH2+]CC[C@@H]4C3)cc2)n1 ZINC000427135214 500357509 /nfs/dbraw/zinc/35/75/09/500357509.db2.gz IBGBVYCZVPDBEG-ZBFHGGJFSA-N 2 0 350.388 3.075 20 0 FGADRP COc1ccc([C@@H](CCn2cncn2)[NH2+]Cc2ccc([C@@H](C)[NH3+])cc2)cc1 ZINC000423292440 500361919 /nfs/dbraw/zinc/36/19/19/500361919.db2.gz NAFXVLHYPICYBZ-IIBYNOLFSA-N 2 0 365.481 3.228 20 0 FGADRP COc1ccc(Cc2nc(C)c([C@H](C)[NH2+]C[C@@H](C)C[NH3+])s2)cc1OC ZINC000423296225 500362187 /nfs/dbraw/zinc/36/21/87/500362187.db2.gz GJQFHSAPFYXKOT-STQMWFEESA-N 2 0 363.527 3.305 20 0 FGADRP C[C@@H]([NH3+])c1ccc(C(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)cc1 ZINC000423356492 500366648 /nfs/dbraw/zinc/36/66/48/500366648.db2.gz JYPIZLSPXGYVFX-CVEARBPZSA-N 2 0 357.523 3.410 20 0 FGADRP C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH3+])C1)c1ccc(F)c(I)c1 ZINC000423375620 500368326 /nfs/dbraw/zinc/36/83/26/500368326.db2.gz UKEZIVMQYYKVCD-MVWJERBFSA-N 2 0 362.230 3.351 20 0 FGADRP CCSc1ccccc1[C@H](C)[NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000423399442 500370626 /nfs/dbraw/zinc/37/06/26/500370626.db2.gz WDUNNXBMFNSAFM-XJKSGUPXSA-N 2 0 361.477 3.285 20 0 FGADRP COCC1(C[NH2+][C@@H]2CCCc3cc(Br)ccc32)CC[NH2+]CC1 ZINC000423398606 500370640 /nfs/dbraw/zinc/37/06/40/500370640.db2.gz DDSMIIAEBQZOSL-QGZVFWFLSA-N 2 0 367.331 3.432 20 0 FGADRP C[C@H]1CN(Cc2ccccn2)CC[C@H]1[NH2+]Cc1cccc2c1CCCN2 ZINC000423408587 500371666 /nfs/dbraw/zinc/37/16/66/500371666.db2.gz ALHPGXHKIKTHBS-LAUBAEHRSA-N 2 0 350.510 3.440 20 0 FGADRP C[C@@H]([NH3+])c1ccc(C(=O)N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000423407646 500371719 /nfs/dbraw/zinc/37/17/19/500371719.db2.gz MWGHGCPTOCRXJM-IEBWSBKVSA-N 2 0 351.494 3.300 20 0 FGADRP CCc1ccc(C[C@@H](Cc2ccc(Cl)cc2)[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)nc1 ZINC000423424488 500373654 /nfs/dbraw/zinc/37/36/54/500373654.db2.gz FTLVFMPUQFVZDV-CGXNFDGLSA-N 2 0 355.913 3.259 20 0 FGADRP Cc1c([C@@H](C)[NH2+][C@@H](C)CCC[NH3+])nnn1-c1cccc(Br)c1 ZINC000423455305 500376040 /nfs/dbraw/zinc/37/60/40/500376040.db2.gz MJLZLNXCZXIMLT-NWDGAFQWSA-N 2 0 366.307 3.116 20 0 FGADRP Cc1c([C@H](C)[NH2+][C@@H](C)CCC[NH3+])nnn1-c1cccc(Br)c1 ZINC000423455306 500376172 /nfs/dbraw/zinc/37/61/72/500376172.db2.gz MJLZLNXCZXIMLT-RYUDHWBXSA-N 2 0 366.307 3.116 20 0 FGADRP C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)C[C@@H]2CCC[NH2+]CC2)C1 ZINC000427274246 500376205 /nfs/dbraw/zinc/37/62/05/500376205.db2.gz LJFGVDVAHCXIAH-RBUKOAKNSA-N 2 0 357.542 3.315 20 0 FGADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)C[C@H]2CCC[NH2+]CC2)cc1 ZINC000427274792 500377020 /nfs/dbraw/zinc/37/70/20/500377020.db2.gz NROGTGJLDUIEBF-OALUTQOASA-N 2 0 357.542 3.457 20 0 FGADRP C[C@H](CCc1ccc(I)cc1)[NH2+][C@@H]1CC[C@@H](C[NH3+])C1 ZINC000423501281 500380135 /nfs/dbraw/zinc/38/01/35/500380135.db2.gz JGMBDOQFHIJFAN-XNRPHZJLSA-N 2 0 372.294 3.329 20 0 FGADRP Clc1ccccc1C[C@@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)C1CC1 ZINC000423511401 500380619 /nfs/dbraw/zinc/38/06/19/500380619.db2.gz OVSMNVUWBQZRLS-GZNCHQMQSA-N 2 0 361.961 3.467 20 0 FGADRP C[C@@H](CCc1ccc(F)cc1F)[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000423516314 500381143 /nfs/dbraw/zinc/38/11/43/500381143.db2.gz WMSAZUISFXYFPV-MNNVXMFVSA-N 2 0 351.485 3.092 20 0 FGADRP O=C(C[C@@H]1CCC[NH2+]CC1)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000427332804 500382048 /nfs/dbraw/zinc/38/20/48/500382048.db2.gz VNFWUOKYMWXHQE-NFBKMPQASA-N 2 0 369.553 3.281 20 0 FGADRP Cc1nc(C)c([C@H](C)[NH2+]CC2(N)CC[NH+](Cc3ccccc3)CC2)s1 ZINC000423543969 500383837 /nfs/dbraw/zinc/38/38/37/500383837.db2.gz CAACOUHJPQWUGC-HNNXBMFYSA-N 2 0 358.555 3.404 20 0 FGADRP C[C@@H]([NH2+]CCC1=CC[NH2+]CC1)c1ccccc1I ZINC000423546608 500384292 /nfs/dbraw/zinc/38/42/92/500384292.db2.gz FOLZHCHXBCZCDQ-GFCCVEGCSA-N 2 0 356.251 3.252 20 0 FGADRP CC(C)O[C@H]1C[C@H]([NH2+]CC2(N)CC[NH+](Cc3ccccc3)CC2)C1(C)C ZINC000423581776 500386807 /nfs/dbraw/zinc/38/68/07/500386807.db2.gz ZLAPQHPTTNDILA-PMACEKPBSA-N 2 0 359.558 3.162 20 0 FGADRP C[C@H]([NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1)c1ccc2c(c1)OCO2 ZINC000423582366 500386841 /nfs/dbraw/zinc/38/68/41/500386841.db2.gz ZZFZTUSWSIVVMK-KRWDZBQOSA-N 2 0 367.493 3.059 20 0 FGADRP CCCNc1ccc(Cl)cc1NC(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000423723709 500396891 /nfs/dbraw/zinc/39/68/91/500396891.db2.gz FWRWNPHPYHWDQG-UHFFFAOYSA-N 2 0 352.910 3.304 20 0 FGADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)[C@H](C)[C@@H]([NH3+])c1ccccc1 ZINC000423738182 500398259 /nfs/dbraw/zinc/39/82/59/500398259.db2.gz FURQESHPBUUWDT-DYESRHJHSA-N 2 0 353.510 3.433 20 0 FGADRP C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)C[C@H]1CCCC[C@H]1[NH3+] ZINC000423754501 500399394 /nfs/dbraw/zinc/39/93/94/500399394.db2.gz YROCTJFCQYUIPI-SJLPKXTDSA-N 2 0 351.922 3.138 20 0 FGADRP COc1ccc([C@H](CNC(=O)CC[C@H]2CCCC[N@@H+]2C)[NH+]2CCCC2)cc1 ZINC000431652414 500403398 /nfs/dbraw/zinc/40/33/98/500403398.db2.gz CEKFGNQLPGPEER-CTNGQTDRSA-N 2 0 373.541 3.213 20 0 FGADRP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000431673744 500406895 /nfs/dbraw/zinc/40/68/95/500406895.db2.gz PKRAHSJBTLURSH-TYPHKJRUSA-N 2 0 372.557 3.021 20 0 FGADRP COc1ccc([C@@H](C[NH+]2CCCC2)NC(=O)c2ccc([C@H](C)[NH3+])cc2)cc1 ZINC000423897069 500417184 /nfs/dbraw/zinc/41/71/84/500417184.db2.gz OONWWVWYUKDWTB-HRAATJIYSA-N 2 0 367.493 3.282 20 0 FGADRP Cc1ccccc1C[NH+]1CCC(NC(=O)CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000431757351 500420389 /nfs/dbraw/zinc/42/03/89/500420389.db2.gz CBYOQCAPRPMXDG-NRFANRHFSA-N 2 0 357.542 3.340 20 0 FGADRP CC[NH+](CC)C[C@H]1CCCC[C@@H]1NC(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000431768162 500422037 /nfs/dbraw/zinc/42/20/37/500422037.db2.gz CUPHMNITULQJJJ-MJGOQNOKSA-N 2 0 366.594 3.449 20 0 FGADRP CC[NH+](CC)C[C@H]1CCCC[C@@H]1NC(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000431795795 500425972 /nfs/dbraw/zinc/42/59/72/500425972.db2.gz HVLUWDVNOBTQPQ-RTWAWAEBSA-N 2 0 374.573 3.448 20 0 FGADRP Ic1ccc([C@H]2CCC[N@@H+]2CC[C@H]2CC[NH2+]C2)cc1 ZINC000420312407 500438989 /nfs/dbraw/zinc/43/89/89/500438989.db2.gz WXWXNHIHEHGRAH-CZUORRHYSA-N 2 0 370.278 3.428 20 0 FGADRP O=C(NCCC[N@@H+]1CCc2ccccc2C1)[C@H]1CCCC[NH+]1C1CCCC1 ZINC000431897110 500440410 /nfs/dbraw/zinc/44/04/10/500440410.db2.gz XSELLXKETKBBRT-JOCHJYFZSA-N 2 0 369.553 3.348 20 0 FGADRP COc1ccc([C@H](C[NH3+])C[N@H+](C)[C@H](C)c2ccc(-n3cncn3)cc2)cc1 ZINC000420317657 500441192 /nfs/dbraw/zinc/44/11/92/500441192.db2.gz NPBXXBIWCZDQCS-VQIMIIECSA-N 2 0 365.481 3.011 20 0 FGADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@H]1CCCc2ncc(C(F)(F)F)cc21 ZINC000427871578 500441668 /nfs/dbraw/zinc/44/16/68/500441668.db2.gz WHOPNXIGQRGZJM-KDOFPFPSSA-N 2 0 370.463 3.093 20 0 FGADRP [NH3+]C1(CNC(=O)c2ccc(Cl)s2)CC[NH+](Cc2ccccc2)CC1 ZINC000424040503 500441940 /nfs/dbraw/zinc/44/19/40/500441940.db2.gz QRPXOKSDHMLTLN-UHFFFAOYSA-N 2 0 363.914 3.125 20 0 FGADRP Clc1ccc(-c2noc(CC[N@@H+]3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)n2)cc1 ZINC000420328841 500442894 /nfs/dbraw/zinc/44/28/94/500442894.db2.gz NCJAZGRHXBJNBF-CVEARBPZSA-N 2 0 360.889 3.254 20 0 FGADRP CCc1cccc(CC)c1NC(=O)[C@H](C)[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420337879 500443943 /nfs/dbraw/zinc/44/39/43/500443943.db2.gz KFOCBANVGPWZKX-VDGAXYAQSA-N 2 0 357.542 3.460 20 0 FGADRP c1ccc(-n2nc(C[N@@H+]3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)c3c2CCC3)cc1 ZINC000420335921 500444275 /nfs/dbraw/zinc/44/42/75/500444275.db2.gz VHSSSAYPZGWFNZ-MSOLQXFVSA-N 2 0 350.510 3.183 20 0 FGADRP CCc1ccc([C@H](C)NC(=O)[C@@H](C)[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)cc1 ZINC000420340612 500444556 /nfs/dbraw/zinc/44/45/56/500444556.db2.gz MVXISEXFIQOIQH-FVJLSDCUSA-N 2 0 357.542 3.279 20 0 FGADRP Cc1sc2[nH]c([C@H](C)[N@@H+]3CCC[C@H]([C@H]4CC[NH2+]C4)C3)nc(=O)c2c1C ZINC000420340625 500444644 /nfs/dbraw/zinc/44/46/44/500444644.db2.gz MXHYUCZGEBIBKA-QEJZJMRPSA-N 2 0 360.527 3.396 20 0 FGADRP COc1ccc([C@H](C[NH3+])C[NH+]2CCC(CCCn3ccnc3)CC2)cc1 ZINC000420361848 500447771 /nfs/dbraw/zinc/44/77/71/500447771.db2.gz NORYUVMDAPVBOO-HXUWFJFHSA-N 2 0 356.514 3.126 20 0 FGADRP [NH3+][C@H]1CCO[C@H](C2CC[NH+](CCCOc3cccc(Cl)c3)CC2)C1 ZINC000420381986 500452068 /nfs/dbraw/zinc/45/20/68/500452068.db2.gz DBDPBYLGRYZZPP-HKUYNNGSSA-N 2 0 352.906 3.327 20 0 FGADRP [NH3+][C@@H]1CCO[C@H](C2CC[NH+](CCOc3ccc(C(F)(F)F)cc3)CC2)C1 ZINC000420397319 500455429 /nfs/dbraw/zinc/45/54/29/500455429.db2.gz XHMLQEYCLANCJV-AEFFLSMTSA-N 2 0 372.431 3.303 20 0 FGADRP [NH3+]C[C@@H]1CN(C(=O)CC[C@H]([NH3+])CC2CCCCC2)C[C@H]1c1ccccc1 ZINC000424175176 500463341 /nfs/dbraw/zinc/46/33/41/500463341.db2.gz NODTXJMSBFTOTC-HKBOAZHASA-N 2 0 357.542 3.265 20 0 FGADRP C[C@@H]1CC2(C[N@@H+]1CC(=O)Nc1cccc(C(F)(F)F)c1)CC[NH2+]CC2 ZINC000424285175 500481271 /nfs/dbraw/zinc/48/12/71/500481271.db2.gz FKHUMTLPDRJNIS-CYBMUJFWSA-N 2 0 355.404 3.108 20 0 FGADRP C[C@@H]1CC2(C[N@@H+]1CC(=O)N[C@@H](c1cccs1)C(C)(C)C)CC[NH2+]CC2 ZINC000424288630 500481885 /nfs/dbraw/zinc/48/18/85/500481885.db2.gz KUTHLVIMBUGDRL-QAPCUYQASA-N 2 0 363.571 3.416 20 0 FGADRP C[C@@H]1CC2(C[N@@H+]1CCOc1cc(F)cc(Br)c1)CC[NH2+]CC2 ZINC000424286678 500481912 /nfs/dbraw/zinc/48/19/12/500481912.db2.gz HRPILWIFVRQQFJ-CYBMUJFWSA-N 2 0 371.294 3.431 20 0 FGADRP Cc1ccc([C@@H](NC(=O)C[N@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)C2CC2)cc1 ZINC000424287644 500481960 /nfs/dbraw/zinc/48/19/60/500481960.db2.gz JIOMECSGSAPMEE-LAUBAEHRSA-N 2 0 355.526 3.026 20 0 FGADRP CCN(C[C@H]1CC[N@H+](C[C@@H](C[NH3+])c2ccc(F)cc2)C1)CC(F)(F)F ZINC000424305496 500484052 /nfs/dbraw/zinc/48/40/52/500484052.db2.gz SLRJLQNFANSHIT-GDBMZVCRSA-N 2 0 361.427 3.074 20 0 FGADRP CC[NH+](CC)Cc1ccccc1CNC(=O)NC1CCC([NH+](C)C)CC1 ZINC000420753931 500494764 /nfs/dbraw/zinc/49/47/64/500494764.db2.gz AQOACSOTKJMPIN-UHFFFAOYSA-N 2 0 360.546 3.200 20 0 FGADRP COc1cccc(C[NH+]2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)c1OC(C)C ZINC000573460414 506199124 /nfs/dbraw/zinc/19/91/24/506199124.db2.gz FHJKLOJOYQLNSR-ICSRJNTNSA-N 2 0 362.514 3.201 20 0 FGADRP Cc1cc(C[NH3+])cc(NC(=O)N(C)C2CC[NH+](CCC(F)(F)F)CC2)c1 ZINC000424417820 500500489 /nfs/dbraw/zinc/50/04/89/500500489.db2.gz ONXHOOHUWNXTDY-UHFFFAOYSA-N 2 0 372.435 3.334 20 0 FGADRP CC1CC[NH+](Cc2ccccc2CNC(=O)N(C)C[C@@H]2CCC[N@@H+]2C)CC1 ZINC000420786022 500501193 /nfs/dbraw/zinc/50/11/93/500501193.db2.gz BIZAADBBBSAWOX-NRFANRHFSA-N 2 0 372.557 3.154 20 0 FGADRP C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N(C)C[C@@H]2CCC[NH+]2C)C1 ZINC000420792144 500501987 /nfs/dbraw/zinc/50/19/87/500501987.db2.gz HLNIWOJFDXQKJW-RXVVDRJESA-N 2 0 372.557 3.154 20 0 FGADRP Cc1cc(C[NH3+])cc(NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)c1 ZINC000424427696 500502953 /nfs/dbraw/zinc/50/29/53/500502953.db2.gz QKHIZWHTQHSCJJ-UZLBHIALSA-N 2 0 352.482 3.238 20 0 FGADRP Cc1cc(C[NH3+])cc(NC(=O)NC2CC[NH+](CCc3ccccc3)CC2)c1 ZINC000424443453 500506512 /nfs/dbraw/zinc/50/65/12/500506512.db2.gz KFPRREYWYCLZME-UHFFFAOYSA-N 2 0 366.509 3.282 20 0 FGADRP CC[C@H]1[NH2+]CC[C@H]1C(=O)NCc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000573483088 506202478 /nfs/dbraw/zinc/20/24/78/506202478.db2.gz IPPKZFHEFURJLC-FGZHOGPDSA-N 2 0 365.521 3.420 20 0 FGADRP CN(C[C@H]1CCC[N@@H+]1C)C(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000421061932 500568584 /nfs/dbraw/zinc/56/85/84/500568584.db2.gz GKOIQJDIJWEORI-LJQANCHMSA-N 2 0 374.529 3.109 20 0 FGADRP Cc1ccc(NC(=O)CC[N@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)nc1 ZINC000447345932 500594751 /nfs/dbraw/zinc/59/47/51/500594751.db2.gz SHRBXCMBEDJWRN-IBGZPJMESA-N 2 0 358.530 3.163 20 0 FGADRP Cc1ccccc1C[C@H](C)[N@H+](C)CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000447406896 500602122 /nfs/dbraw/zinc/60/21/22/500602122.db2.gz XSUXBZRIIQSORV-SIKLNZKXSA-N 2 0 367.537 3.277 20 0 FGADRP CNC(=O)C1CCC([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC000447540687 500620833 /nfs/dbraw/zinc/62/08/33/500620833.db2.gz KFJCUODRQDYMBY-SMCZBRLRSA-N 2 0 355.526 3.076 20 0 FGADRP COc1ccc2oc([C@@H](C)NC(=O)CCC[NH+]3CCC([NH3+])CC3)c(C)c2c1 ZINC000433120828 500630670 /nfs/dbraw/zinc/63/06/70/500630670.db2.gz PIPQXDVMCOZZLU-OAHLLOKOSA-N 2 0 373.497 3.130 20 0 FGADRP CCC[C@H]1CCc2nc(NC(=O)CCC[NH+]3CCC([NH3+])CC3)sc2C1 ZINC000433139903 500633602 /nfs/dbraw/zinc/63/36/02/500633602.db2.gz DEERUBUVIURZBB-AWEZNQCLSA-N 2 0 364.559 3.190 20 0 FGADRP COc1ccccc1[C@@H](CC(C)C)NC(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433154719 500636093 /nfs/dbraw/zinc/63/60/93/500636093.db2.gz UNMGQMLVKYVKAO-LJQANCHMSA-N 2 0 361.530 3.102 20 0 FGADRP C[C@@H](Cc1cccc(C(F)(F)F)c1)[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000442867173 500636195 /nfs/dbraw/zinc/63/61/95/500636195.db2.gz KNOPCGSSMFFVOU-HNNXBMFYSA-N 2 0 357.464 3.252 20 0 FGADRP CN(Cc1c(Cl)cccc1Cl)C(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433159916 500636722 /nfs/dbraw/zinc/63/67/22/500636722.db2.gz SVPWLUGSRMDHOC-UHFFFAOYSA-N 2 0 358.313 3.155 20 0 FGADRP [NH3+]C1CC[NH+](CCCC(=O)N2CCc3cc(-c4ccccc4)oc3C2)CC1 ZINC000433163653 500637678 /nfs/dbraw/zinc/63/76/78/500637678.db2.gz CACGBLDOTTZPJU-UHFFFAOYSA-N 2 0 367.493 3.035 20 0 FGADRP C[C@H](Cc1ccccc1C(F)(F)F)[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000442877912 500639057 /nfs/dbraw/zinc/63/90/57/500639057.db2.gz RTIABAZEAWDXNV-OAHLLOKOSA-N 2 0 357.464 3.252 20 0 FGADRP [NH3+]CC[C@H]1CCC[N@H+](Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)C1 ZINC000442917672 500646629 /nfs/dbraw/zinc/64/66/29/500646629.db2.gz BBMZERBJNXGJGO-CQSZACIVSA-N 2 0 352.404 3.452 20 0 FGADRP C[NH+](C)CCN(Cc1ccccc1F)C(=O)C[C@@H](c1ccccc1)[NH+](C)C ZINC000433320734 500671413 /nfs/dbraw/zinc/67/14/13/500671413.db2.gz VOCDKFQZPWWXIN-NRFANRHFSA-N 2 0 371.500 3.409 20 0 FGADRP Cc1ccc([C@H](CNC(=O)NC[C@H]2CCC[N@@H+](CC(C)C)C2)[NH+](C)C)cc1 ZINC000448215798 500733923 /nfs/dbraw/zinc/73/39/23/500733923.db2.gz ZTRHTDICBWLALF-CTNGQTDRSA-N 2 0 374.573 3.265 20 0 FGADRP C[NH+]1CCN(Cc2ccc(C[NH2+]CCCCOc3ccccc3)cc2)CC1 ZINC000438088833 500736213 /nfs/dbraw/zinc/73/62/13/500736213.db2.gz LWEAWYLATTVTPU-UHFFFAOYSA-N 2 0 367.537 3.383 20 0 FGADRP CCC[NH+]1CCC(CNC(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)CC1 ZINC000438169889 500749726 /nfs/dbraw/zinc/74/97/26/500749726.db2.gz XYJOBYWNXHLSIQ-FQEVSTJZSA-N 2 0 364.578 3.205 20 0 FGADRP CCC[NH+]1CCC(CNC(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)CC1 ZINC000438169892 500749913 /nfs/dbraw/zinc/74/99/13/500749913.db2.gz XYJOBYWNXHLSIQ-HXUWFJFHSA-N 2 0 364.578 3.205 20 0 FGADRP C[C@H](NC(=O)N(C)[C@H]1CCC[N@H+](Cc2ccccc2)C1)C(C)(C)C[NH+](C)C ZINC000443678815 500754961 /nfs/dbraw/zinc/75/49/61/500754961.db2.gz DIZWNERTNDYYSU-ICSRJNTNSA-N 2 0 374.573 3.269 20 0 FGADRP COCCN(Cc1nc2c(s1)C[N@@H+](C(C)C)CC2)[C@H]1CCCSC1 ZINC000448370933 500755070 /nfs/dbraw/zinc/75/50/70/500755070.db2.gz BKSUPRPVPHMWQY-HNNXBMFYSA-N 2 0 369.600 3.254 20 0 FGADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NC[C@H]1CCC[NH+]1C1CCCCC1 ZINC000438344942 500774561 /nfs/dbraw/zinc/77/45/61/500774561.db2.gz KIPZDFOUNRVFHL-AQNXPRMDSA-N 2 0 362.562 3.052 20 0 FGADRP O=C(NC[C@@H]1CCCC[N@@H+]1C1CC1)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000434445435 500843856 /nfs/dbraw/zinc/84/38/56/500843856.db2.gz OESCNDLBYMBEJB-FPOVZHCZSA-N 2 0 355.526 3.032 20 0 FGADRP CC1(C)CC[NH+](CCOCC[N@@H+]2CCSC(C)(C)CC2)CCS1 ZINC000434667970 500876587 /nfs/dbraw/zinc/87/65/87/500876587.db2.gz ZMBTTWOGOZSCDP-UHFFFAOYSA-N 2 0 360.633 3.438 20 0 FGADRP COc1cc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)cc2ccccc21 ZINC000449011044 500895492 /nfs/dbraw/zinc/89/54/92/500895492.db2.gz OMEPOEIZVAAQCQ-UHFFFAOYSA-N 2 0 354.494 3.393 20 0 FGADRP CC1(C)CCC[N@H+](CCNC(=O)NCc2cccc(C[NH+]3CCCC3)c2)C1 ZINC000444885550 500917190 /nfs/dbraw/zinc/91/71/90/500917190.db2.gz NKAQBKRCKSQCID-UHFFFAOYSA-N 2 0 372.557 3.204 20 0 FGADRP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]CCc2cn3c(n2)CCCC3)CC1 ZINC000449071290 500917321 /nfs/dbraw/zinc/91/73/21/500917321.db2.gz ARHWXOZKACCCSZ-IBGZPJMESA-N 2 0 366.553 3.447 20 0 FGADRP C[C@H]1C[NH+](CCCC[NH2+]Cc2ccc3c(c2)OCCCCO3)C[C@H](C)O1 ZINC000449100154 500925117 /nfs/dbraw/zinc/92/51/17/500925117.db2.gz AWEZGGHHQXGYQZ-ROUUACIJSA-N 2 0 362.514 3.217 20 0 FGADRP COCCC[NH+]1CCC(NC2CC[NH+]([C@@H](C)Cc3ccccc3)CC2)CC1 ZINC000449110588 500927264 /nfs/dbraw/zinc/92/72/64/500927264.db2.gz FBDMGLAARNLRDL-FQEVSTJZSA-N 2 0 373.585 3.173 20 0 FGADRP C[NH2+][C@H](CC(C)(C)C)C(=O)NCC[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000449169819 500939900 /nfs/dbraw/zinc/93/99/00/500939900.db2.gz PLTMEHGCUQUCIP-YZGWKJHDSA-N 2 0 359.558 3.428 20 0 FGADRP C[C@@H](NC(=O)NCC[N@@H+]1CCCC(C)(C)C1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000445247389 500959841 /nfs/dbraw/zinc/95/98/41/500959841.db2.gz IFJQNZIEGADGBJ-QZTJIDSGSA-N 2 0 364.578 3.061 20 0 FGADRP O=C(NC[C@H]1CCC[N@H+](Cc2ccc(-c3ccccc3)o2)C1)[C@H]1CCC[NH2+]1 ZINC000435375365 500962268 /nfs/dbraw/zinc/96/22/68/500962268.db2.gz UPDDRQXGOURUPM-YLJYHZDGSA-N 2 0 367.493 3.027 20 0 FGADRP COc1ccc(OCc2ccccn2)c(CN2CCC[C@H]([C@@H](C)[NH3+])C2)c1 ZINC000435386722 500964951 /nfs/dbraw/zinc/96/49/51/500964951.db2.gz VJKODEARUBKZSO-SJORKVTESA-N 2 0 355.482 3.228 20 0 FGADRP COc1ccc(C[N@@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)cc1OCc1cccnc1 ZINC000435384221 500965102 /nfs/dbraw/zinc/96/51/02/500965102.db2.gz LNYLTJZOOHPFGV-QFBILLFUSA-N 2 0 355.482 3.228 20 0 FGADRP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3ccc(-n4ccc(C(F)(F)F)n4)cc3)C[C@@H]12 ZINC000435387573 500965975 /nfs/dbraw/zinc/96/59/75/500965975.db2.gz ASMRHJVRWALUKB-NUEKZKHPSA-N 2 0 350.388 3.060 20 0 FGADRP c1cnn(-c2cccc(CN(Cc3ccccn3)[C@@H]3CCC[NH2+]CC3)c2)c1 ZINC000435392308 500966627 /nfs/dbraw/zinc/96/66/27/500966627.db2.gz WCJVXRLXPYZDHT-OAQYLSRUSA-N 2 0 361.493 3.412 20 0 FGADRP Ic1ccc(C[NH2+]CC2CC[NH+](C3CC3)CC2)cc1 ZINC000449290446 500967860 /nfs/dbraw/zinc/96/78/60/500967860.db2.gz XIBTVLTVCPSXFX-UHFFFAOYSA-N 2 0 370.278 3.255 20 0 FGADRP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC000440263813 500992802 /nfs/dbraw/zinc/99/28/02/500992802.db2.gz GEIFEWNSTDVOAM-UNMCSNQZSA-N 2 0 369.553 3.374 20 0 FGADRP CC[N@H+](CCC(=O)Nc1cc(Cl)ccc1OC)[C@@H]1CCC[NH2+]CC1 ZINC000435623133 501004093 /nfs/dbraw/zinc/00/40/93/501004093.db2.gz GGDMBJFVARZFNV-OAHLLOKOSA-N 2 0 353.894 3.141 20 0 FGADRP CCOc1ccc([C@@H]2CCCN2C(=O)CN(CC)[C@@H]2CCC[NH2+]CC2)cc1 ZINC000435629176 501004511 /nfs/dbraw/zinc/00/45/11/501004511.db2.gz WXOIRSQNKJLKDG-CTNGQTDRSA-N 2 0 373.541 3.213 20 0 FGADRP CCn1ccnc1C[N@H+](CCCc1ccccc1)[C@H]1CC12CC[NH2+]CC2 ZINC000435680133 501009939 /nfs/dbraw/zinc/00/99/39/501009939.db2.gz CBBBEYZFBWOXDO-FQEVSTJZSA-N 2 0 352.526 3.480 20 0 FGADRP CN(C)c1ccccc1CN(Cc1nccs1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435686254 501011349 /nfs/dbraw/zinc/01/13/49/501011349.db2.gz SGUTZKWURIQRFB-GOSISDBHSA-N 2 0 356.539 3.353 20 0 FGADRP CCO[C@@H]1CC[N@H+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)C[C@@H]1C ZINC000449490818 501015616 /nfs/dbraw/zinc/01/56/16/501015616.db2.gz CZZSNDOMZJJWHR-PGRDOPGGSA-N 2 0 359.558 3.464 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000445974212 501057014 /nfs/dbraw/zinc/05/70/14/501057014.db2.gz KFDYKBKFKFLZID-UYAOXDASSA-N 2 0 372.557 3.023 20 0 FGADRP C[NH+](C)[C@H](CNC(=O)C[NH2+][C@@H]1CCC[C@@H]1c1ccccc1)c1ccccc1 ZINC000446002799 501061431 /nfs/dbraw/zinc/06/14/31/501061431.db2.gz PENBSNFHPVMXID-YPAWHYETSA-N 2 0 365.521 3.331 20 0 FGADRP C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)N[C@H]2CC[C@@H](C[NH3+])C2)c1 ZINC000449728180 501069919 /nfs/dbraw/zinc/06/99/19/501069919.db2.gz UBEMGTNWMMISDS-NQIIRXRSSA-N 2 0 351.494 3.176 20 0 FGADRP CC1(C)CCc2ccccc2[C@@H]([NH2+]CCC[N@@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000436282579 501101395 /nfs/dbraw/zinc/10/13/95/501101395.db2.gz HKYJQGNAFBRNOE-QUCCMNQESA-N 2 0 357.542 3.267 20 0 FGADRP C[NH+](C)CCOc1ccccc1CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC000449835396 501101495 /nfs/dbraw/zinc/10/14/95/501101495.db2.gz PMAQEJLLIYCIEA-HXUWFJFHSA-N 2 0 373.541 3.040 20 0 FGADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]C[C@@H](C(=O)OC(C)(C)C)C1CCC1 ZINC000596063973 506236869 /nfs/dbraw/zinc/23/68/69/506236869.db2.gz QCFOLTBEVQNHBM-LJQANCHMSA-N 2 0 370.497 3.423 20 0 FGADRP Cc1ccc([C@H]([NH2+]CCC[N@@H+]2CCC[C@@H](C(N)=O)C2)C2CCCC2)cc1 ZINC000446818266 501167890 /nfs/dbraw/zinc/16/78/90/501167890.db2.gz MURFKZOSXBINEK-NHCUHLMSSA-N 2 0 357.542 3.403 20 0 FGADRP C[NH+](Cc1cc(C[N@@H+](C)[C@H]2CCCOC2)ccc1F)[C@@H]1CCCOC1 ZINC000450978433 501236558 /nfs/dbraw/zinc/23/65/58/501236558.db2.gz MCXFUSWGILIYGW-RBUKOAKNSA-N 2 0 350.478 3.047 20 0 FGADRP CC[NH+]1CCN(CCCC[NH2+][C@@H](C)c2ncc(-c3ccccc3)n2C)CC1 ZINC000453064635 501261471 /nfs/dbraw/zinc/26/14/71/501261471.db2.gz UDYCIVDWZLNCQB-IBGZPJMESA-N 2 0 369.557 3.155 20 0 FGADRP Cn1cc(CCC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)cn1 ZINC000453084849 501266042 /nfs/dbraw/zinc/26/60/42/501266042.db2.gz GIOOKNYPCHUTJR-BHDDXSALSA-N 2 0 352.526 3.386 20 0 FGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H](C)c2ncc(-c3ccccc3)n2C)CC1 ZINC000453105112 501270479 /nfs/dbraw/zinc/27/04/79/501270479.db2.gz GWOVTMBQWVUAHG-MOPGFXCFSA-N 2 0 369.557 3.011 20 0 FGADRP C[NH+](C)CCCC(C)(C)NC(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000457631924 501272342 /nfs/dbraw/zinc/27/23/42/501272342.db2.gz FHVLAQIFPNJGFR-UHFFFAOYSA-N 2 0 374.573 3.113 20 0 FGADRP C[C@@H](CCCc1cccnc1)[NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000453122096 501273203 /nfs/dbraw/zinc/27/32/03/501273203.db2.gz FSBQRTHUHWWPCH-SFHVURJKSA-N 2 0 374.573 3.009 20 0 FGADRP C[C@@H](Cc1cnccn1)[NH2+]CCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000453120954 501273360 /nfs/dbraw/zinc/27/33/60/501273360.db2.gz DAXONWMHPRTMKJ-IBGZPJMESA-N 2 0 368.525 3.069 20 0 FGADRP CCc1nc(CC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)no1 ZINC000453129076 501275148 /nfs/dbraw/zinc/27/51/48/501275148.db2.gz DIIALLUAXBYGNB-QRVBRYPASA-N 2 0 354.498 3.207 20 0 FGADRP C[C@H]([NH2+]CCc1ccc(OCC[NH+]2C[C@@H](C)[C@H](C)C2)cc1)c1cn[nH]c1 ZINC000453158695 501281371 /nfs/dbraw/zinc/28/13/71/501281371.db2.gz BTLGMPHFPJHVGS-KURKYZTESA-N 2 0 356.514 3.270 20 0 FGADRP CCNC(=O)C(C)(C)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000453178077 501285955 /nfs/dbraw/zinc/28/59/55/501285955.db2.gz URUZUXPHMPPWKI-XUVXKRRUSA-N 2 0 357.542 3.182 20 0 FGADRP CC[C@H]([NH2+][C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C)c1ccsc1 ZINC000453182508 501287189 /nfs/dbraw/zinc/28/71/89/501287189.db2.gz MNTUSLOKUKCUHV-OALUTQOASA-N 2 0 359.539 3.078 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)NCC[C@@H]1CCC[N@H+](C)C1)c1ccsc1 ZINC000457698595 501289969 /nfs/dbraw/zinc/28/99/69/501289969.db2.gz ZCIGDXYYYFICGH-FUHWJXTLSA-N 2 0 366.575 3.162 20 0 FGADRP Cc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)c(=O)n1C ZINC000453209101 501291949 /nfs/dbraw/zinc/29/19/49/501291949.db2.gz CTABQCGIYQXIMH-YPAWHYETSA-N 2 0 365.521 3.227 20 0 FGADRP OC[C@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21)c1cccnc1 ZINC000453234371 501295366 /nfs/dbraw/zinc/29/53/66/501295366.db2.gz SGHYOGRHIVUWHO-AFXVXQJMSA-N 2 0 365.521 3.190 20 0 FGADRP O=C(C[NH2+][C@@H]1CCC12CCCC2)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000451455466 501296731 /nfs/dbraw/zinc/29/67/31/501296731.db2.gz JTXBFDGIVHOCCP-LJQANCHMSA-N 2 0 373.566 3.486 20 0 FGADRP OCCCN1CCC[C@H]([NH2+][C@H](c2cccc(OC(F)(F)F)c2)C2CC2)C1 ZINC000453282314 501307374 /nfs/dbraw/zinc/30/73/74/501307374.db2.gz DRUPFDGCTYXVKW-WMZOPIPTSA-N 2 0 372.431 3.473 20 0 FGADRP CC(=O)N1CCCN(C[C@@H]2CCC[N@@H+]([C@@H](C)c3cccc(C)c3)C2)CC1 ZINC000451534222 501314978 /nfs/dbraw/zinc/31/49/78/501314978.db2.gz NEGYMYVBTICQGI-FPOVZHCZSA-N 2 0 357.542 3.322 20 0 FGADRP CO[C@@H]1CC[N@H+](Cc2cccc(C[NH+]3CC[C@H](OC)[C@@H](C)C3)c2)C[C@H]1C ZINC000451572625 501328010 /nfs/dbraw/zinc/32/80/10/501328010.db2.gz QTKAJVSDUXXEQI-VVIORFSUSA-N 2 0 360.542 3.400 20 0 FGADRP CC1(C)CCC[N@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000607748460 506252103 /nfs/dbraw/zinc/25/21/03/506252103.db2.gz CDXIDVFKTBCGTG-UHFFFAOYSA-N 2 0 357.542 3.411 20 0 FGADRP CC[C@@H](C)[NH+]1CCN(C(=O)NC2CC[NH+]([C@@H](C)c3ccccc3)CC2)CC1 ZINC000458395128 501435446 /nfs/dbraw/zinc/43/54/46/501435446.db2.gz CCIIVGFLVBCYEV-MOPGFXCFSA-N 2 0 372.557 3.338 20 0 FGADRP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)NC2CC[NH+]([C@H](C)c3ccccc3)CC2)C1 ZINC000458416579 501439707 /nfs/dbraw/zinc/43/97/07/501439707.db2.gz QIXQCSUXIJMOEQ-NQIIRXRSSA-N 2 0 372.557 3.336 20 0 FGADRP Cc1ccccc1[C@H]([C@@H](C)NC(=O)N1CC[C@]2(C1)CCC[N@H+](C)C2)[NH+](C)C ZINC000458783432 501530652 /nfs/dbraw/zinc/53/06/52/501530652.db2.gz VDQUKLKJGNTXQL-KAGYGMCKSA-N 2 0 372.557 3.114 20 0 FGADRP C[NH+](C)CCCC1CCN(C(=O)NCCCCC[NH+]2CCCC2)CC1 ZINC000458849219 501544384 /nfs/dbraw/zinc/54/43/84/501544384.db2.gz LKVNMSSSKIBNOL-UHFFFAOYSA-N 2 0 352.567 3.016 20 0 FGADRP CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000458934978 501561691 /nfs/dbraw/zinc/56/16/91/501561691.db2.gz LATATGUWUKTLQP-VQTJNVASSA-N 2 0 364.578 3.157 20 0 FGADRP C[C@@H]1C[C@H](NC(=O)NCCCC[NH+](C)C2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000454593436 501586913 /nfs/dbraw/zinc/58/69/13/501586913.db2.gz LMGMDURAWLTIFU-UYAOXDASSA-N 2 0 372.557 3.213 20 0 FGADRP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)NCCCC[NH+](C)C2CC2)C1 ZINC000459149634 501604050 /nfs/dbraw/zinc/60/40/50/501604050.db2.gz GLZQJPAPDQEACW-OALUTQOASA-N 2 0 364.578 3.157 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)NCC[C@@H]2CCC[NH+](C)C2)C1 ZINC000459268542 501622276 /nfs/dbraw/zinc/62/22/76/501622276.db2.gz SENRKRZTBPPHQJ-HSALFYBXSA-N 2 0 364.578 3.014 20 0 FGADRP COc1ccc(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)cc1OC(F)F ZINC000459387170 501644531 /nfs/dbraw/zinc/64/45/31/501644531.db2.gz JSBWFJACCPRLSD-UHFFFAOYSA-N 2 0 363.408 3.450 20 0 FGADRP C[C@H](C(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000457094076 501649315 /nfs/dbraw/zinc/64/93/15/501649315.db2.gz ZFAHSBKCTGJVPJ-RBSFLKMASA-N 2 0 363.468 3.123 20 0 FGADRP COc1ccc(OCc2ccccn2)c(C[NH2+]CC[C@H]2CCC[N@H+](C)C2)c1 ZINC000459734287 501706413 /nfs/dbraw/zinc/70/64/13/501706413.db2.gz OKSKPWIPSIPZNN-GOSISDBHSA-N 2 0 369.509 3.491 20 0 FGADRP C[C@H]([NH2+]C1(C2CCC2)CCC1)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000459772489 501712173 /nfs/dbraw/zinc/71/21/73/501712173.db2.gz OHUUUXKBAIYPIX-PXNSSMCTSA-N 2 0 355.526 3.078 20 0 FGADRP CO[C@@H]1C[C@H]([NH2+]Cc2ccccc2N(C)C2CC[NH+](C)CC2)C12CCC2 ZINC000459799071 501715419 /nfs/dbraw/zinc/71/54/19/501715419.db2.gz YHBKGIOJOIOADL-LEWJYISDSA-N 2 0 357.542 3.264 20 0 FGADRP CCCN(CC[NH+]1CCCCCC1)C(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000460107788 501726855 /nfs/dbraw/zinc/72/68/55/501726855.db2.gz LPJHHEHTAIMCPF-IBGZPJMESA-N 2 0 352.567 3.016 20 0 FGADRP CCCC[N@H+](C)C[C@H](C)NC(=O)N[C@H]1CC[NH+]([C@H](C)c2ccccc2)C1 ZINC000460107360 501727410 /nfs/dbraw/zinc/72/74/10/501727410.db2.gz IKJZPPMTXQEDCY-NSHGMRRFSA-N 2 0 360.546 3.242 20 0 FGADRP C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000477615096 501738588 /nfs/dbraw/zinc/73/85/88/501738588.db2.gz ZKRDHJNCSDGWRP-IBGZPJMESA-N 2 0 364.578 3.158 20 0 FGADRP CO[C@@H]1C[N@H+](Cc2cccc(C[NH+]3CC[C@H](C)[C@H](OC)C3)c2)CC[C@H]1C ZINC000467290333 501759740 /nfs/dbraw/zinc/75/97/40/501759740.db2.gz IECUIIULYWIBNO-GMQQQROESA-N 2 0 360.542 3.400 20 0 FGADRP C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000467306489 501766932 /nfs/dbraw/zinc/76/69/32/501766932.db2.gz BRFXTWPWNJYROO-OAHLLOKOSA-N 2 0 357.464 3.252 20 0 FGADRP CC[C@H](C)[N@H+](C)CCNC(=O)N(C)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000470718455 501781121 /nfs/dbraw/zinc/78/11/21/501781121.db2.gz SGKMWJQWXKDUSA-ICSRJNTNSA-N 2 0 360.546 3.023 20 0 FGADRP CC(C)C[C@@H](C[NH+](C)C)NC(=O)N(C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000470739813 501788417 /nfs/dbraw/zinc/78/84/17/501788417.db2.gz FRFPBTQPIVEHOV-LEWJYISDSA-N 2 0 374.573 3.269 20 0 FGADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)N(C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000470758274 501794394 /nfs/dbraw/zinc/79/43/94/501794394.db2.gz WDYVGTHCHNRCFX-FPOVZHCZSA-N 2 0 372.557 3.167 20 0 FGADRP C[C@H]([NH2+][C@@H]1CC(=O)N(c2ccccc2)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000477854481 501810566 /nfs/dbraw/zinc/81/05/66/501810566.db2.gz BKUHBGXNHFYBKU-PKOBYXMFSA-N 2 0 367.493 3.083 20 0 FGADRP COC(=O)c1csc(-c2cccc(C[NH2+][C@H]3CC[N@@H+]4CCC[C@H]4C3)c2)n1 ZINC000477859781 501812241 /nfs/dbraw/zinc/81/22/41/501812241.db2.gz UTXSMDAOHZLTQN-IRXDYDNUSA-N 2 0 371.506 3.313 20 0 FGADRP C[C@@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+]1CCCC2(CCC2)C1 ZINC000470865175 501834019 /nfs/dbraw/zinc/83/40/19/501834019.db2.gz FPCXZNKZZIKLPA-AZUAARDMSA-N 2 0 355.526 3.032 20 0 FGADRP Cc1ccc(CN(CC[NH+](C)C)C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)o1 ZINC000470876309 501839775 /nfs/dbraw/zinc/83/97/75/501839775.db2.gz RSANQNCYAPAFRU-GOSISDBHSA-N 2 0 361.530 3.133 20 0 FGADRP O=C(NC1CC([NH+]2CCCCC2)C1)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000477961756 501840916 /nfs/dbraw/zinc/84/09/16/501840916.db2.gz FMPKSZADHPFTFE-XVAXZDLZSA-N 2 0 355.526 3.174 20 0 FGADRP Cc1ccccc1NC(=O)CC[N@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000470997240 501886429 /nfs/dbraw/zinc/88/64/29/501886429.db2.gz SQCROJOLGYJIGY-OYRHEFFESA-N 2 0 363.505 3.387 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCc3cnn(C(C)C)c3C2)[C@@H](C)C1 ZINC000478148945 501893307 /nfs/dbraw/zinc/89/33/07/501893307.db2.gz YPXNLFJMOPRJCP-SXLOBPIMSA-N 2 0 362.562 3.048 20 0 FGADRP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)CC[NH+]1CCc2ccccc2C1 ZINC000474737291 501938119 /nfs/dbraw/zinc/93/81/19/501938119.db2.gz NCDOPDOSCZOILU-IBGZPJMESA-N 2 0 357.542 3.206 20 0 FGADRP Cc1cc(NC(=O)[C@H](C(C)C)[NH+](C)C)cc(N2CC[NH+](C(C)C)CC2)c1 ZINC000482039208 501955639 /nfs/dbraw/zinc/95/56/39/501955639.db2.gz RCGUKMHRZBKYSB-FQEVSTJZSA-N 2 0 360.546 3.050 20 0 FGADRP CC[NH+](CC)Cc1ccc(CNC(=O)NCC(C)(C)C[NH+]2CCCC2)cc1 ZINC000478403282 501969315 /nfs/dbraw/zinc/96/93/15/501969315.db2.gz JBMOXOIXLBXFLQ-UHFFFAOYSA-N 2 0 374.573 3.450 20 0 FGADRP CC[C@H]([NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1)c1ccccc1OC ZINC000482126364 501981779 /nfs/dbraw/zinc/98/17/79/501981779.db2.gz XEYCMLBSURBHIJ-NRFANRHFSA-N 2 0 368.525 3.343 20 0 FGADRP COC(=O)C[C@@H]1CC[C@H]([NH2+][C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)[C@H]1C ZINC000474939388 501999590 /nfs/dbraw/zinc/99/95/90/501999590.db2.gz AWDHVLSAVQYKFM-NXIXHYNASA-N 2 0 358.526 3.464 20 0 FGADRP CCN(C(=O)NCC1([NH+](C)C)CCCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475034246 502029587 /nfs/dbraw/zinc/02/95/87/502029587.db2.gz VHWBFVAMPMDFRK-FQEVSTJZSA-N 2 0 372.557 3.167 20 0 FGADRP O=C(NCCCCC[NH+]1CCCCC1)N1CC[NH+](C2CCCCC2)CC1 ZINC000486107233 502049540 /nfs/dbraw/zinc/04/95/40/502049540.db2.gz FEVMSIMUUNJZOK-UHFFFAOYSA-N 2 0 364.578 3.303 20 0 FGADRP CCN(C(=O)NCC[NH+](CC)C(C)C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475154171 502083536 /nfs/dbraw/zinc/08/35/36/502083536.db2.gz GNXYGAWTIZTQEM-FQEVSTJZSA-N 2 0 360.546 3.023 20 0 FGADRP CCCC[N@H+](C)CCNC(=O)N(CC)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000475176433 502091692 /nfs/dbraw/zinc/09/16/92/502091692.db2.gz MRQWAVUBMRAQHH-FQEVSTJZSA-N 2 0 360.546 3.024 20 0 FGADRP CCN(C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475179874 502091819 /nfs/dbraw/zinc/09/18/19/502091819.db2.gz XTDZAVKFHDEGFX-NJDAHSKKSA-N 2 0 372.557 3.165 20 0 FGADRP CC(=O)N[C@H](C)C1CC[NH+](CC(C)(C)C[N@H+](C)Cc2ccccc2)CC1 ZINC000482505823 502091860 /nfs/dbraw/zinc/09/18/60/502091860.db2.gz OKLNGSIQFUJWCM-GOSISDBHSA-N 2 0 359.558 3.381 20 0 FGADRP CCCN(CC[NH+](CC)CC)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000461414196 502104893 /nfs/dbraw/zinc/10/48/93/502104893.db2.gz AOVOFJDQBYKBBB-UHFFFAOYSA-N 2 0 374.573 3.414 20 0 FGADRP CC[C@H](C(=O)N[C@H](C[NH+]1CCCC1)c1ccc(OC)cc1)[NH+](CC)CC ZINC000461501512 502132455 /nfs/dbraw/zinc/13/24/55/502132455.db2.gz BQDTUMDPFBYIFU-WOJBJXKFSA-N 2 0 361.530 3.069 20 0 FGADRP C[C@H](CC[N@@H+]1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1)OCc1ccccc1 ZINC000475320521 502133574 /nfs/dbraw/zinc/13/35/74/502133574.db2.gz JXNFNIGSGXINBK-VQTJNVASSA-N 2 0 359.558 3.082 20 0 FGADRP c1cn(-c2csc(C[N@@H+]3C[C@H]4C[NH+](Cc5ccccc5)C[C@H]4C3)c2)cn1 ZINC000475343100 502141679 /nfs/dbraw/zinc/14/16/79/502141679.db2.gz NYHCEQSTGSPNQR-KDURUIRLSA-N 2 0 364.518 3.498 20 0 FGADRP CCN(CCC[NH+](C)C)C(=O)NCC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000468676159 502143223 /nfs/dbraw/zinc/14/32/23/502143223.db2.gz SDRVGQXZNXIUDG-TZIWHRDSSA-N 2 0 374.573 3.270 20 0 FGADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@H]1CCCc2cc(Br)ccc21 ZINC000479058692 502150820 /nfs/dbraw/zinc/15/08/20/502150820.db2.gz JQXMOHKOIKMUNC-KSSFIOAISA-N 2 0 366.347 3.052 20 0 FGADRP CC[C@@H](C(=O)N1CCC([N@@H+]2CCc3ccccc3C2)CC1)[NH+](CC)CC ZINC000468714432 502156422 /nfs/dbraw/zinc/15/64/22/502156422.db2.gz HZHJCCNHXRVPHB-NRFANRHFSA-N 2 0 357.542 3.156 20 0 FGADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H]1CCCc2nn(-c3ccccc3)cc21 ZINC000479074803 502156599 /nfs/dbraw/zinc/15/65/99/502156599.db2.gz AZJYRDBUCHXBDE-ICSRJNTNSA-N 2 0 356.514 3.196 20 0 FGADRP C[C@H](C(=O)N1CCC([N@@H+]2CCc3ccccc3C2)CC1)[NH+]1CCCCCC1 ZINC000468716222 502157570 /nfs/dbraw/zinc/15/75/70/502157570.db2.gz UMAWGFZAOGDFTR-LJQANCHMSA-N 2 0 369.553 3.300 20 0 FGADRP CC[NH+](CC)[C@H]1CCN(C(=O)[C@@H](C)[NH+]2CCC(Cc3ccccc3)CC2)C1 ZINC000464965038 502159015 /nfs/dbraw/zinc/15/90/15/502159015.db2.gz UASIDNWLZHKWMN-KNQAVFIVSA-N 2 0 371.569 3.272 20 0 FGADRP C[C@@H](CCNC(=O)c1ccccc1C[NH+](C)C)[N@H+](C)Cc1ccccc1 ZINC000486516481 502178106 /nfs/dbraw/zinc/17/81/06/502178106.db2.gz JOHKLKFBURYVDL-SFHVURJKSA-N 2 0 353.510 3.389 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@H](C)C[NH+](C)Cc2ccccc2)C[C@H]1C ZINC000461721038 502179167 /nfs/dbraw/zinc/17/91/67/502179167.db2.gz FYNLHRQIMCMOOM-GGPKGHCWSA-N 2 0 360.546 3.021 20 0 FGADRP CC[NH+](CC)CCOc1ccc(NC(=O)[C@H](C[NH3+])c2ccc(F)cc2)cc1 ZINC000479186601 502187815 /nfs/dbraw/zinc/18/78/15/502187815.db2.gz LRQMREAAHSZYNZ-HXUWFJFHSA-N 2 0 373.472 3.227 20 0 FGADRP C[C@H]([NH2+]C(C)(C)CNC(=O)[C@H](C[NH3+])c1ccc(F)cc1)c1ccccc1 ZINC000479221150 502196650 /nfs/dbraw/zinc/19/66/50/502196650.db2.gz IJCCWCVRRVGMDQ-HNAYVOBHSA-N 2 0 357.473 3.114 20 0 FGADRP CCCC[N@H+](C)C[C@H](C)NC(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000461791491 502202648 /nfs/dbraw/zinc/20/26/48/502202648.db2.gz NXSNHASTBNBNCU-PMACEKPBSA-N 2 0 366.594 3.260 20 0 FGADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)c2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000465198525 502211952 /nfs/dbraw/zinc/21/19/52/502211952.db2.gz UBBQPCNJNRZJRK-HXUWFJFHSA-N 2 0 357.542 3.380 20 0 FGADRP CCN(CCC[NH+]1CCCC1)C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000472076923 502222073 /nfs/dbraw/zinc/22/20/73/502222073.db2.gz XADOPTMKFBEISQ-NRFANRHFSA-N 2 0 372.557 3.168 20 0 FGADRP CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC(=O)NC[C@H]1CC[N@H+](CC(C)C)C1 ZINC000465397646 502250205 /nfs/dbraw/zinc/25/02/05/502250205.db2.gz SVJSPTMLSWNWSP-HSALFYBXSA-N 2 0 366.594 3.164 20 0 FGADRP CC(C)[N@@H+]1[C@@H]2CC[C@H]1CN(C(=O)NCCC[NH+]1C[C@@H](C)C[C@H](C)C1)CC2 ZINC000465531337 502291252 /nfs/dbraw/zinc/29/12/52/502291252.db2.gz ATBCGXGYZBDZNL-HAGHYFMRSA-N 2 0 364.578 3.011 20 0 FGADRP CC(C)[N@@H+]1[C@@H]2CC[C@H]1CN(C(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1)CC2 ZINC000465531339 502293318 /nfs/dbraw/zinc/29/33/18/502293318.db2.gz ATBCGXGYZBDZNL-WTGUMLROSA-N 2 0 364.578 3.011 20 0 FGADRP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)NC[C@H](C1CCCCC1)[NH+](C)C ZINC000465541911 502299949 /nfs/dbraw/zinc/29/99/49/502299949.db2.gz MQWPFFYLHJITBT-RTBURBONSA-N 2 0 352.567 3.013 20 0 FGADRP C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N[C@@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC000465554251 502305141 /nfs/dbraw/zinc/30/51/41/502305141.db2.gz GIKPCPONOGSJCC-LVCYWYKZSA-N 2 0 372.557 3.200 20 0 FGADRP CC1CC[NH+](Cc2ccc(CNC(=O)N[C@@H]3CC[N@H+](C)[C@H](C)C3)cc2)CC1 ZINC000465555471 502306373 /nfs/dbraw/zinc/30/63/73/502306373.db2.gz XKTCWXXKYBJZBL-WIYYLYMNSA-N 2 0 372.557 3.200 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CNC(=O)NCc1ccc(C[NH+]2CCCC[C@@H]2C)cc1 ZINC000465556787 502306736 /nfs/dbraw/zinc/30/67/36/502306736.db2.gz BOQCTSIHQCOUQT-RXVVDRJESA-N 2 0 372.557 3.345 20 0 FGADRP C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)[NH+](C)Cc1ccccc1 ZINC000483196442 502310710 /nfs/dbraw/zinc/31/07/10/502310710.db2.gz JMMPJOUBKPITDP-ICSRJNTNSA-N 2 0 357.542 3.278 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CNC(=O)NCc1ccccc1C[NH+]1CCC[C@@H](C)C1 ZINC000465579869 502313637 /nfs/dbraw/zinc/31/36/37/502313637.db2.gz VUYVGICNONQHCE-NQIIRXRSSA-N 2 0 372.557 3.202 20 0 FGADRP CC[NH+]1CCC(CCNC(=O)NCC2([NH+](C)C)CCCCCC2)CC1 ZINC000465633805 502332529 /nfs/dbraw/zinc/33/25/29/502332529.db2.gz MXRQAMMNKXHXKI-UHFFFAOYSA-N 2 0 352.567 3.062 20 0 FGADRP C[C@H]1CCC[N@H+](CCCCNC(=O)N2CC([NH+](C)Cc3ccccc3)C2)C1 ZINC000479672878 502339652 /nfs/dbraw/zinc/33/96/52/502339652.db2.gz IQGLZBPNXMYCLF-IBGZPJMESA-N 2 0 372.557 3.024 20 0 FGADRP CCO[C@H]1C[C@H]([N@H+](C)CCCN2CC[NH+](C(C)C)CC2)C12CCCCC2 ZINC000472581829 502391423 /nfs/dbraw/zinc/39/14/23/502391423.db2.gz PYTFCCYRCAONGT-SFTDATJTSA-N 2 0 365.606 3.462 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@H](c2cccc(F)c2)N(C)C)[C@@H](C)C1 ZINC000479851622 502397101 /nfs/dbraw/zinc/39/71/01/502397101.db2.gz OOIVXOUJCIEFCJ-DZFGPLHGSA-N 2 0 365.537 3.155 20 0 FGADRP CCC[N@H+](CCCN1CC[NH+](C(C)C)CC1)[C@H]1C[C@@H](OCC)C1(C)C ZINC000472600102 502398313 /nfs/dbraw/zinc/39/83/13/502398313.db2.gz XKQWHIVLAIFJEV-VQTJNVASSA-N 2 0 353.595 3.318 20 0 FGADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N(C)CC[C@H]2CCCC[NH+]2C)C1 ZINC000465872813 502410189 /nfs/dbraw/zinc/41/01/89/502410189.db2.gz KWUNUXTYXUVXHF-RTBURBONSA-N 2 0 366.594 3.403 20 0 FGADRP CC[C@@H]1CCC[C@@H](NC(=O)N(CC[NH+](C)C)C[C@H]2CCC[N@@H+]2CC)C1 ZINC000465991237 502447883 /nfs/dbraw/zinc/44/78/83/502447883.db2.gz ZJJFNKAYPFOUPZ-GUDVDZBRSA-N 2 0 352.567 3.013 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NCCCC[NH+]2CCC(C)CC2)C[C@@H]1C ZINC000483676106 502459086 /nfs/dbraw/zinc/45/90/86/502459086.db2.gz FFQIXFAWZZLQEK-OALUTQOASA-N 2 0 352.567 3.013 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NCc2cccc(C[NH+]3CCCC3)c2)C[C@@H]1C ZINC000483683315 502462169 /nfs/dbraw/zinc/46/21/69/502462169.db2.gz KZVSKJIPYUEOES-RXVVDRJESA-N 2 0 372.557 3.297 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@H](c2cccs2)N(C)C)[C@@H](C)C1 ZINC000480080306 502466991 /nfs/dbraw/zinc/46/69/91/502466991.db2.gz BATCTUAGZLKHLL-OKZBNKHCSA-N 2 0 353.576 3.077 20 0 FGADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C[C@@H]1C ZINC000483716935 502473655 /nfs/dbraw/zinc/47/36/55/502473655.db2.gz UVFJUROBXDHMQX-GHTZIAJQSA-N 2 0 372.557 3.297 20 0 FGADRP C[C@@H]1C[N@@H+](CC2CC[NH+](CCCOc3ccc(F)cc3)CC2)C[C@H](C)O1 ZINC000588710598 506316907 /nfs/dbraw/zinc/31/69/07/506316907.db2.gz STZWHKQLTMIXBZ-HDICACEKSA-N 2 0 364.505 3.416 20 0 FGADRP C[C@@H]([NH2+]CCN1CCc2ccccc2C1)c1cccc(OCC[NH+](C)C)c1 ZINC000480231706 502507749 /nfs/dbraw/zinc/50/77/49/502507749.db2.gz SQPYJHAKOUWJSR-LJQANCHMSA-N 2 0 367.537 3.336 20 0 FGADRP CCn1nc(C[NH+]2CCC(C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)c2ccccc21 ZINC000473130787 502523353 /nfs/dbraw/zinc/52/33/53/502523353.db2.gz DJBWMNIKGKMSBC-ROUUACIJSA-N 2 0 370.541 3.377 20 0 FGADRP CN(c1ccccc1C[NH2+]C[C@@H](CO)CC1CCCC1)C1CC[NH+](C)CC1 ZINC000466417277 502565178 /nfs/dbraw/zinc/56/51/78/502565178.db2.gz OAYJQROLYBWXBA-FQEVSTJZSA-N 2 0 373.585 3.495 20 0 FGADRP COC(=O)CCC[NH+]1CCC(Nc2cc(C[NH+]3CCCC3)ccc2C)CC1 ZINC000462781172 502568614 /nfs/dbraw/zinc/56/86/14/502568614.db2.gz YUUMPAHVLINJEZ-UHFFFAOYSA-N 2 0 373.541 3.420 20 0 FGADRP Cn1cc(C[NH+]2CCC(OCCC[NH3+])CC2)c(-c2ccccc2Cl)n1 ZINC000469856331 502568915 /nfs/dbraw/zinc/56/89/15/502568915.db2.gz ZJHWBDWYPKNAON-UHFFFAOYSA-N 2 0 362.905 3.070 20 0 FGADRP COC(=O)CCCN1CCC([NH2+]C[C@H]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000462783827 502571086 /nfs/dbraw/zinc/57/10/86/502571086.db2.gz WRTYNOZPWKGGTD-LSDHHAIUSA-N 2 0 364.452 3.362 20 0 FGADRP CC1CC[NH+](CCC[C@@H]([NH2+]CCc2ncn(C)n2)c2ccc(F)cc2)CC1 ZINC000462820473 502586548 /nfs/dbraw/zinc/58/65/48/502586548.db2.gz WFBGBKFMMLFLKS-HXUWFJFHSA-N 2 0 373.520 3.340 20 0 FGADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000473501989 502613257 /nfs/dbraw/zinc/61/32/57/502613257.db2.gz BTNXQDOCTAWHFD-MZKRTTBSSA-N 2 0 369.553 3.374 20 0 FGADRP C[C@H](CNC(=O)N[C@H](C)[C@H](c1ccccc1)[NH+](C)C)C[NH+]1CCCCC1 ZINC000484284820 502615094 /nfs/dbraw/zinc/61/50/94/502615094.db2.gz PPMQWMGVABXGMA-QWFCFKBJSA-N 2 0 360.546 3.099 20 0 FGADRP CC[C@H](C)[NH2+][C@H](CNC(=O)NCCC[NH+]1CCC(C)CC1)c1ccco1 ZINC000476907373 502617118 /nfs/dbraw/zinc/61/71/18/502617118.db2.gz PWDFJFPEQFJANE-ZWKOTPCHSA-N 2 0 364.534 3.130 20 0 FGADRP C[C@H]([NH2+]CCC[N@H+]1C[C@H](C)C[C@H](C)C1)[C@@H](c1ccccc1)N1CCOCC1 ZINC000480677185 502639581 /nfs/dbraw/zinc/63/95/81/502639581.db2.gz PDAWTBPQJXECQY-KGSLCBSSSA-N 2 0 373.585 3.406 20 0 FGADRP OC[C@@H](Cc1ccccc1)[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000480679632 502640841 /nfs/dbraw/zinc/64/08/41/502640841.db2.gz VPYIKTINHZBOTH-UARRHKHWSA-N 2 0 364.533 3.480 20 0 FGADRP C[C@H]1[C@H](NC(=O)NCCC[NH+]2CCC(C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000476989308 502644084 /nfs/dbraw/zinc/64/40/84/502644084.db2.gz MBKNEORUTNSIFG-PZJWPPBQSA-N 2 0 372.557 3.071 20 0 FGADRP CC[NH+](CC)CC1CC[NH+]([C@H](C)C(=O)N2c3ccccc3C[C@@H]2C)CC1 ZINC000488358554 502692895 /nfs/dbraw/zinc/69/28/95/502692895.db2.gz IZBNLPVQTKQTTN-ZWKOTPCHSA-N 2 0 357.542 3.407 20 0 FGADRP CN(c1ccccc1CNCC(C)(C)C[NH+]1CCCC1)C1CC[NH+](C)CC1 ZINC000480936139 502709408 /nfs/dbraw/zinc/70/94/08/502709408.db2.gz MCTOEBSZUNDLLZ-UHFFFAOYSA-N 2 0 372.601 3.429 20 0 FGADRP C[C@H](CNC(=O)N[C@@H](C)[C@@H](c1ccccc1)[NH+](C)C)[NH+]1CCC(C)CC1 ZINC000488444865 502716508 /nfs/dbraw/zinc/71/65/08/502716508.db2.gz XEGOLSZLTQNSKC-HBFSDRIKSA-N 2 0 360.546 3.097 20 0 FGADRP Cc1ccccc1[C@@H]([C@@H](C)NC(=O)NC1CC[NH+](CC2CC2)CC1)[NH+](C)C ZINC000484772322 502736856 /nfs/dbraw/zinc/73/68/56/502736856.db2.gz PRUBJDWGEFJYEQ-DYESRHJHSA-N 2 0 372.557 3.160 20 0 FGADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCC[NH+](CC2CCCCC2)CC1 ZINC000477320192 502740834 /nfs/dbraw/zinc/74/08/34/502740834.db2.gz QOFYWEHHUOTGTR-HXUWFJFHSA-N 2 0 364.578 3.158 20 0 FGADRP C[C@@H]1C[N@@H+](CCC2CC[NH+](CCCC3CCOCC3)CC2)C[C@H](C)O1 ZINC000463277286 502743599 /nfs/dbraw/zinc/74/35/99/502743599.db2.gz CJRVUVISDVYDNT-KDURUIRLSA-N 2 0 352.563 3.405 20 0 FGADRP C[C@@H]1CC[C@@H]([NH2+]CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)[C@H](C)C1 ZINC000481175827 502773046 /nfs/dbraw/zinc/77/30/46/502773046.db2.gz NBXHIPLQFKBCGT-DBXWQHBBSA-N 2 0 357.542 3.313 20 0 FGADRP C[C@@H]1CC[C@@H]([NH2+]CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)[C@@H](C)C1 ZINC000481175830 502773218 /nfs/dbraw/zinc/77/32/18/502773218.db2.gz NBXHIPLQFKBCGT-LVCYWYKZSA-N 2 0 357.542 3.313 20 0 FGADRP CC[C@H](C)[N@H+](C)CCNC(=O)N[C@H]1[C@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000474013682 502779371 /nfs/dbraw/zinc/77/93/71/502779371.db2.gz VLAXVROLSPEAFE-YOUFYPILSA-N 2 0 374.573 3.173 20 0 FGADRP COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+]C[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC000474058136 502793710 /nfs/dbraw/zinc/79/37/10/502793710.db2.gz XWHNJKCKLPHGFK-SFTDATJTSA-N 2 0 359.558 3.279 20 0 FGADRP CC[C@@H](C(=O)N(CC)C[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+](CC)CC ZINC000470531044 502806473 /nfs/dbraw/zinc/80/64/73/502806473.db2.gz UFCYTULZMLNSLF-RTWAWAEBSA-N 2 0 359.558 3.477 20 0 FGADRP C[C@@H](C(=O)N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1)[NH+]1CCCCCC1 ZINC000470553156 502811100 /nfs/dbraw/zinc/81/11/00/502811100.db2.gz ISYJJAHSWKJVPB-PMACEKPBSA-N 2 0 357.542 3.374 20 0 FGADRP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)N2CCC[N@H+](C)CC2)C1 ZINC000500680294 502838980 /nfs/dbraw/zinc/83/89/80/502838980.db2.gz BKYJBWQCIUQJNY-RTBURBONSA-N 2 0 372.557 3.012 20 0 FGADRP COCC1(C)CC[NH+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)CC1 ZINC000500749682 502853997 /nfs/dbraw/zinc/85/39/97/502853997.db2.gz OBWNNILLWWFXFY-UHFFFAOYSA-N 2 0 359.558 3.466 20 0 FGADRP CC[NH+](CC)CCSCC(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000505117159 502854149 /nfs/dbraw/zinc/85/41/49/502854149.db2.gz LLIQXNPLSKACNI-UHFFFAOYSA-N 2 0 369.619 3.221 20 0 FGADRP C[N@H+](C[C@H](O)COc1ccc(C(C)(C)C)cc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000513133158 502859665 /nfs/dbraw/zinc/85/96/65/502859665.db2.gz CXVMATVAOBMEIW-XNMUZJSGSA-N 2 0 360.542 3.281 20 0 FGADRP C[NH+]1CCC(CCNC(=O)NC[C@]2(C)CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000489042616 502867210 /nfs/dbraw/zinc/86/72/10/502867210.db2.gz MOCOVAQBFKMCQU-QFIPXVFZSA-N 2 0 372.557 3.072 20 0 FGADRP O[C@@]1(CNC2CC[NH+](C3CCCCC3)CC2)CC[N@H+](Cc2ccccc2)C1 ZINC000513212254 502878771 /nfs/dbraw/zinc/87/87/71/502878771.db2.gz IYKJQYOBJUXZSE-HSZRJFAPSA-N 2 0 371.569 3.010 20 0 FGADRP CCC[C@H]([NH2+]C(C)C)C(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000509403519 502893341 /nfs/dbraw/zinc/89/33/41/502893341.db2.gz CKYFKPXLMUTIBU-GPANFISMSA-N 2 0 363.468 3.075 20 0 FGADRP CN1CC[NH+](CC2(C)CC[NH+](CCSC3CCCCC3)CC2)CC1 ZINC000501022962 502913789 /nfs/dbraw/zinc/91/37/89/502913789.db2.gz LGBIQSHAHMJYHT-UHFFFAOYSA-N 2 0 353.620 3.402 20 0 FGADRP C[C@H](C(=O)N1[C@@H](C)CCC[C@@H]1C)[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501081594 502931257 /nfs/dbraw/zinc/93/12/57/502931257.db2.gz XVGDXRVCHUYYBO-GBESFXJTSA-N 2 0 372.557 3.408 20 0 FGADRP C[N@@H+](Cc1nc2cccnc2s1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501090857 502935150 /nfs/dbraw/zinc/93/51/50/502935150.db2.gz TVPXYPZLDMAYQZ-UHFFFAOYSA-N 2 0 353.495 3.435 20 0 FGADRP Cc1cc(F)ccc1C[NH2+]CCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000509570853 502937988 /nfs/dbraw/zinc/93/79/88/502937988.db2.gz KMRJZGJZSYAGIQ-UHFFFAOYSA-N 2 0 355.501 3.432 20 0 FGADRP C[C@@H]1C[NH+](CCCC[NH2+][C@@H](Cc2ccccn2)c2cccnc2)C[C@@H](C)O1 ZINC000513505467 502955500 /nfs/dbraw/zinc/95/55/00/502955500.db2.gz KOGCAWJLYCMSIL-KNKQGSTJSA-N 2 0 368.525 3.239 20 0 FGADRP C[C@H]1C[N@H+](C)[C@@H](C)CN1C(=O)c1cccc(C[NH+](C)Cc2ccccc2)c1 ZINC000509655039 502959292 /nfs/dbraw/zinc/95/92/92/502959292.db2.gz UVBFPAIMCWGTBM-OALUTQOASA-N 2 0 365.521 3.483 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccc2c(c1)CCCC2 ZINC000505727444 502974098 /nfs/dbraw/zinc/97/40/98/502974098.db2.gz ZOFXATAISUKGQR-NRFANRHFSA-N 2 0 357.542 3.054 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccc2ccccc2c1 ZINC000505731126 502975238 /nfs/dbraw/zinc/97/52/38/502975238.db2.gz HUNWJLXFGAHUFU-NRFANRHFSA-N 2 0 353.510 3.328 20 0 FGADRP C[NH+](C)CC[C@@H](NC(=O)N[C@@H](C[NH+](C)C)c1ccc(F)cc1)C(C)(C)C ZINC000497549535 502985005 /nfs/dbraw/zinc/98/50/05/502985005.db2.gz AOYPZRNEWBORKA-ZWKOTPCHSA-N 2 0 366.525 3.094 20 0 FGADRP CCc1nc(CC[NH2+][C@@H]2CCCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)no1 ZINC000513655146 502991798 /nfs/dbraw/zinc/99/17/98/502991798.db2.gz LKWUJWDCUDYCKY-XUVXKRRUSA-N 2 0 368.525 3.455 20 0 FGADRP C[NH+](C)[C@@H](CNC(=O)NC[C@H](C1CCCCC1)[NH+](C)C)c1ccccc1 ZINC000501362790 502992825 /nfs/dbraw/zinc/99/28/25/502992825.db2.gz PSRPTZLNLWTXLM-VQTJNVASSA-N 2 0 360.546 3.099 20 0 FGADRP C[N@H+](Cc1ccccc1)[C@H](CNC(=O)CC[C@@H]1CCCC[NH+]1C)C1CC1 ZINC000505835280 502996424 /nfs/dbraw/zinc/99/64/24/502996424.db2.gz WPUHCTARAQQJQR-LEWJYISDSA-N 2 0 357.542 3.278 20 0 FGADRP C[N@@H+]1CC[C@H]([NH2+]CCOc2cccc(Br)c2)[C@@H]2CCC[C@H]21 ZINC000513673508 502997362 /nfs/dbraw/zinc/99/73/62/502997362.db2.gz SMDFSZILBPXABR-YESZJQIVSA-N 2 0 353.304 3.290 20 0 FGADRP CC(C)Cc1ccc([C@@H](CNC(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)[NH+](C)C)cc1 ZINC000497608300 502999159 /nfs/dbraw/zinc/99/91/59/502999159.db2.gz DCMXNMGWGNUQAX-TZIWHRDSSA-N 2 0 372.557 3.024 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)NC[C@@H](C1CCCCC1)[NH+](C)C ZINC000501395470 503000554 /nfs/dbraw/zinc/00/05/54/503000554.db2.gz BEDCJALWUFPQDP-QUCCMNQESA-N 2 0 366.594 3.451 20 0 FGADRP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)NC[C@H](C1CCCCC1)[NH+](C)C ZINC000501395468 503000832 /nfs/dbraw/zinc/00/08/32/503000832.db2.gz BEDCJALWUFPQDP-AZUAARDMSA-N 2 0 366.594 3.451 20 0 FGADRP C[C@H]1CN(C(=O)c2cccc(C[N@H+](C)Cc3ccccc3)c2)[C@@H](C)C[NH2+]1 ZINC000505875427 503003630 /nfs/dbraw/zinc/00/36/30/503003630.db2.gz WCCAGDDSLZUHQU-ROUUACIJSA-N 2 0 351.494 3.141 20 0 FGADRP CCC[N@@H+]1CCC[C@H]1CNC(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000497635170 503004721 /nfs/dbraw/zinc/00/47/21/503004721.db2.gz XPGSPDQFFUWMAC-RXVVDRJESA-N 2 0 372.557 3.386 20 0 FGADRP C[C@@H](CNC(=O)NCCCC[N@@H+]1CCCC[C@H]1C)[NH+]1CCCC[C@@H]1C ZINC000501491973 503020605 /nfs/dbraw/zinc/02/06/05/503020605.db2.gz QCBQQSFKEFZZBO-QYZOEREBSA-N 2 0 352.567 3.203 20 0 FGADRP C[C@@H](CNC(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000501499210 503021424 /nfs/dbraw/zinc/02/14/24/503021424.db2.gz DPWKICAZDWOESR-SVFBPWRDSA-N 2 0 372.557 3.243 20 0 FGADRP C[N@@H+]1CCCC[C@H]1CCC(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000497729787 503026700 /nfs/dbraw/zinc/02/67/00/503026700.db2.gz XPUBORVRNRLYHK-FQEVSTJZSA-N 2 0 373.541 3.042 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)NCC[N@@H+]1CCCC[C@H]1C)c1ccccc1 ZINC000501547124 503034584 /nfs/dbraw/zinc/03/45/84/503034584.db2.gz RSROJLFXCSVBMS-QUCCMNQESA-N 2 0 360.546 3.243 20 0 FGADRP C[NH+](C)CCN(CCCc1ccccc1)C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000489811555 503040995 /nfs/dbraw/zinc/04/09/95/503040995.db2.gz QFINFXBVSAVWCZ-SFTDATJTSA-N 2 0 374.573 3.065 20 0 FGADRP CCCC[N@H+](C)CC1CC[NH+](C[C@H](O)COc2ccc(C)cc2C)CC1 ZINC000510088515 503046130 /nfs/dbraw/zinc/04/61/30/503046130.db2.gz WLGKILJNKNUQRE-NRFANRHFSA-N 2 0 362.558 3.487 20 0 FGADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000513916553 503048054 /nfs/dbraw/zinc/04/80/54/503048054.db2.gz JHPVSKURJJIJIO-GGPKGHCWSA-N 2 0 357.542 3.276 20 0 FGADRP c1c[nH]c([C@@H]2CCCN2CC2(C[N@@H+]3CCC[C@H]3c3ccc[nH]3)COC2)c1 ZINC000497851133 503054978 /nfs/dbraw/zinc/05/49/78/503054978.db2.gz PPXIOXXSPXYBFC-PMACEKPBSA-N 2 0 354.498 3.333 20 0 FGADRP C[C@H](NC(=O)CN1CCCC[C@H]1CC[NH3+])c1ccc(Cl)cc1Cl ZINC000489904825 503061022 /nfs/dbraw/zinc/06/10/22/503061022.db2.gz CTVMWKZLMYCYOB-JSGCOSHPSA-N 2 0 358.313 3.374 20 0 FGADRP C[C@H](CCNC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C)[NH+]1CCCCC1 ZINC000501821471 503087480 /nfs/dbraw/zinc/08/74/80/503087480.db2.gz FRVIBQGVISHUNP-SBHAEUEKSA-N 2 0 372.557 3.213 20 0 FGADRP C[C@@H]1C[C@H](CCNC(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)C[NH+]1Cc1ccccc1 ZINC000510326653 503092676 /nfs/dbraw/zinc/09/26/76/503092676.db2.gz ZCTVTVVIRJDRJX-RMVXJAJNSA-N 2 0 372.557 3.069 20 0 FGADRP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NCCCC[NH+]1CCCC[C@H]1C ZINC000514126815 503094753 /nfs/dbraw/zinc/09/47/53/503094753.db2.gz MIZNKWGOCKNJFL-ZGXWSNOMSA-N 2 0 366.594 3.307 20 0 FGADRP O=C1COc2ccc(C[NH2+]CC3CC[NH+](Cc4cccs4)CC3)cc2N1 ZINC000510368908 503101016 /nfs/dbraw/zinc/10/10/16/503101016.db2.gz HOMMFBWZNQJUPZ-UHFFFAOYSA-N 2 0 371.506 3.081 20 0 FGADRP Cc1ccc([C@@H]2C[C@H](C)[N@H+](CC(=O)NC3CC[NH+](C(C)C)CC3)C2)cc1 ZINC000490088760 503107190 /nfs/dbraw/zinc/10/71/90/503107190.db2.gz JEJDGHZCWDKZBB-AZUAARDMSA-N 2 0 357.542 3.162 20 0 FGADRP Cc1ccc([C@H](CNC(=O)NC[C@H](C)[N@@H+]2CCC[C@H](C)C2)[NH+](C)C)cc1 ZINC000514229968 503119092 /nfs/dbraw/zinc/11/90/92/503119092.db2.gz VKIDVHYLXBTBRM-BJLQDIEVSA-N 2 0 360.546 3.017 20 0 FGADRP Cc1cccc2nc(CN3CCC[C@H](C[N@H+]4CCCC[C@H]4C)C3)cc(=O)n12 ZINC000506473310 503122169 /nfs/dbraw/zinc/12/21/69/503122169.db2.gz XTPNCDPYCFXBEF-MJGOQNOKSA-N 2 0 368.525 3.089 20 0 FGADRP CCC[NH+]1CCC(CNC(=O)N[C@@H](C)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000490199838 503128969 /nfs/dbraw/zinc/12/89/69/503128969.db2.gz VTPHSPGCPMNXSF-PXNSSMCTSA-N 2 0 360.546 3.099 20 0 FGADRP CCCC[NH+]1CCC(NC(=O)NC[C@@H]([NH2+][C@H](C)CC)c2ccco2)CC1 ZINC000490216229 503132793 /nfs/dbraw/zinc/13/27/93/503132793.db2.gz KHJVJMFCQDZNTB-SJLPKXTDSA-N 2 0 364.534 3.273 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N1CCC(C[NH+](C)C)CC1)c1ccccc1 ZINC000514564193 503137428 /nfs/dbraw/zinc/13/74/28/503137428.db2.gz CDIMULUMFGOJED-HXUWFJFHSA-N 2 0 360.546 3.053 20 0 FGADRP CCC[NH+]1CCC(NC(=O)NC[C@H](Cc2ccccc2)[NH+](CC)CC)CC1 ZINC000502096226 503143259 /nfs/dbraw/zinc/14/32/59/503143259.db2.gz FILSFGOQCAGYQD-NRFANRHFSA-N 2 0 374.573 3.113 20 0 FGADRP C[C@H](C[NH+]1CCCCCC1)NC(=O)N[C@@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC000502148796 503150724 /nfs/dbraw/zinc/15/07/24/503150724.db2.gz YCWHUTMIOJYENM-WSTZPKSXSA-N 2 0 360.546 3.242 20 0 FGADRP CC[N@H+](CCNC(=O)N1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1)C(C)C ZINC000506655810 503151311 /nfs/dbraw/zinc/15/13/11/503151311.db2.gz RXSHYKMSGHJNMP-MOPGFXCFSA-N 2 0 352.567 3.013 20 0 FGADRP CC[C@H](C)[NH2+][C@H](CNC(=O)NCCC1CC[NH+](CC)CC1)c1ccco1 ZINC000498393134 503177814 /nfs/dbraw/zinc/17/78/14/503177814.db2.gz XYHKJBZZEDKVQT-FUHWJXTLSA-N 2 0 364.534 3.130 20 0 FGADRP O=C(NCC[NH+]1CCCC1)c1ccc(C[NH2+][C@H]2CC[C@@H]2C2CCC2)cc1 ZINC000510735377 503181668 /nfs/dbraw/zinc/18/16/68/503181668.db2.gz OEHMAPHPMDFNRA-RTWAWAEBSA-N 2 0 355.526 3.181 20 0 FGADRP CCCN(CC[NH+]1CCCCC1)C(=O)NCCC1CC[NH+](CC)CC1 ZINC000498410670 503182209 /nfs/dbraw/zinc/18/22/09/503182209.db2.gz RUKRZKJJHRIYOE-UHFFFAOYSA-N 2 0 352.567 3.016 20 0 FGADRP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000514783826 503191917 /nfs/dbraw/zinc/19/19/17/503191917.db2.gz DTNBVGCOWLJXEL-PXNSSMCTSA-N 2 0 358.530 3.084 20 0 FGADRP CC(C)[NH+](CCNC(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1)C(C)C ZINC000506905189 503192221 /nfs/dbraw/zinc/19/22/21/503192221.db2.gz ZEGCPMBEAPWEQL-WOJBJXKFSA-N 2 0 366.594 3.401 20 0 FGADRP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1cnn(C2CCCC2)c1 ZINC000502473636 503205316 /nfs/dbraw/zinc/20/53/16/503205316.db2.gz DBSZIHIBZMFTQV-HTAPYJJXSA-N 2 0 368.525 3.416 20 0 FGADRP C[N@H+](CCCNC(=O)[C@@H]1CCC[NH+]1Cc1ccccc1)Cc1ccccc1 ZINC000498600030 503223761 /nfs/dbraw/zinc/22/37/61/503223761.db2.gz ZYSOFHQPVRNKIN-QFIPXVFZSA-N 2 0 365.521 3.289 20 0 FGADRP CC(C)(C)[NH+]1CCC([NH2+][C@H]2CCCN(C(=O)Cc3ccccc3)C2)CC1 ZINC000511008691 503234797 /nfs/dbraw/zinc/23/47/97/503234797.db2.gz DHECLAZOFLVZKJ-FQEVSTJZSA-N 2 0 357.542 3.073 20 0 FGADRP CC1CC[NH+](C2CCC(NC(=O)NCC[N@@H+]3CCCC[C@H]3C)CC2)CC1 ZINC000502628025 503241734 /nfs/dbraw/zinc/24/17/34/503241734.db2.gz ODYVYTUBHBXXOU-XEVCZEQESA-N 2 0 364.578 3.203 20 0 FGADRP CCCC[N@H+](C)CCNC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000490896740 503242706 /nfs/dbraw/zinc/24/27/06/503242706.db2.gz KUTWTSXMONTXTD-UHFFFAOYSA-N 2 0 360.546 3.204 20 0 FGADRP C[NH+](Cc1ccccc1CNC(=O)NCC[N@@H+](C)C1CC1)C1CCCCC1 ZINC000490947935 503250276 /nfs/dbraw/zinc/25/02/76/503250276.db2.gz HSVMQRXJNMDUGT-UHFFFAOYSA-N 2 0 372.557 3.345 20 0 FGADRP Cc1oc(-c2ccsc2)nc1CN1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000490998823 503258545 /nfs/dbraw/zinc/25/85/45/503258545.db2.gz QWQLGKVISPTJTB-BEFAXECRSA-N 2 0 374.554 3.169 20 0 FGADRP Cc1ccc([C@@H](CNC(=O)N2CC[NH+](C3CCC3)CC2)[NH+]2CCCC2)cc1 ZINC000502840395 503286566 /nfs/dbraw/zinc/28/65/66/503286566.db2.gz OWGQQRVTONWLRQ-OAQYLSRUSA-N 2 0 370.541 3.012 20 0 FGADRP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]C[C@@H](O)COc2ccccc2)CC1 ZINC000515205186 503292411 /nfs/dbraw/zinc/29/24/11/503292411.db2.gz JZLGEHIGQRXFIE-DENIHFKCSA-N 2 0 368.521 3.112 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)NCCC[NH+]1CCCC[C@@H]1C ZINC000502874154 503295174 /nfs/dbraw/zinc/29/51/74/503295174.db2.gz DTXXMXPMKNRBKM-MOPGFXCFSA-N 2 0 352.567 3.205 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N2CC[NH+](C)CC[C@@H]2C)cc1 ZINC000502912248 503306673 /nfs/dbraw/zinc/30/66/73/503306673.db2.gz LVGMTMMSRZXGAC-MOPGFXCFSA-N 2 0 372.557 3.297 20 0 FGADRP C[C@H]([NH2+]C(C)(C)CNC(=O)NCC[N@@H+]1CCC[C@H](C)C1)c1ccccc1 ZINC000502943021 503312096 /nfs/dbraw/zinc/31/20/96/503312096.db2.gz YJORUQUKKHVRPM-ROUUACIJSA-N 2 0 360.546 3.147 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc2c(c1)oc(=O)n2C ZINC000511467185 503326698 /nfs/dbraw/zinc/32/66/98/503326698.db2.gz YBLKEOXTJLHTQY-VQIMIIECSA-N 2 0 365.477 3.132 20 0 FGADRP Cc1nc2ccccc2n1CCC(=O)NCc1ccc(CC[NH+](C)C)cc1 ZINC000507588798 503327725 /nfs/dbraw/zinc/32/77/25/503327725.db2.gz LDGBVAZMAKYEEL-UHFFFAOYSA-N 2 0 364.493 3.155 20 0 FGADRP C[C@H](NC(=O)NC1CC[NH+](C2CCCC2)CC1)[C@@H](c1ccccc1)[NH+](C)C ZINC000499104962 503335553 /nfs/dbraw/zinc/33/55/53/503335553.db2.gz YMBIWNUGJHIBPK-UWJYYQICSA-N 2 0 372.557 3.384 20 0 FGADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)NCC(C)(C)[NH+]1CCC[C@@H](C)C1 ZINC000503058667 503338322 /nfs/dbraw/zinc/33/83/22/503338322.db2.gz LMHIYSOCKCELIZ-MSOLQXFVSA-N 2 0 352.567 3.061 20 0 FGADRP C[C@@H]([NH2+]CCC(=O)N1CCOc2ccccc21)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000503198178 503364807 /nfs/dbraw/zinc/36/48/07/503364807.db2.gz KKOJXQFTNANEIF-QZTJIDSGSA-N 2 0 371.525 3.045 20 0 FGADRP CCn1cc(CC[NH+]2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)cn1 ZINC000503210645 503368034 /nfs/dbraw/zinc/36/80/34/503368034.db2.gz YREXRCUWWPUYTA-UHFFFAOYSA-N 2 0 352.526 3.434 20 0 FGADRP Cn1ccnc1[C@H]1OCC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000492815226 503386574 /nfs/dbraw/zinc/38/65/74/503386574.db2.gz FWCKSFMKAJIHHB-OSYNSWQESA-N 2 0 366.509 3.035 20 0 FGADRP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH2+][C@@H]2CCCC2(C)C)CC1 ZINC000492873221 503388990 /nfs/dbraw/zinc/38/89/90/503388990.db2.gz LZVOOSLPVSKRPZ-HXUWFJFHSA-N 2 0 357.542 3.198 20 0 FGADRP C[NH+](C)[C@H](CNC(=O)N1CC[NH+](CCC(C)(C)C)CC1)c1ccsc1 ZINC000515802507 503403898 /nfs/dbraw/zinc/40/38/98/503403898.db2.gz SOQNKRQWZNCEDL-QGZVFWFLSA-N 2 0 366.575 3.114 20 0 FGADRP CCC[N@H+](C)[C@H](CNC(=O)N1CCC[C@@H](C[NH3+])C1)c1ccc(Cl)cc1 ZINC000515811092 503406011 /nfs/dbraw/zinc/40/60/11/503406011.db2.gz OMYCLNHDIKUOBN-MAUKXSAKSA-N 2 0 366.937 3.103 20 0 FGADRP CC[NH+](CC)C[C@@H](C)NC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000503428904 503407042 /nfs/dbraw/zinc/40/70/42/503407042.db2.gz UBDFBNKVDOOCRR-RTBURBONSA-N 2 0 352.567 3.014 20 0 FGADRP Cc1ccccc1[C@H]([C@H](C)NC(=O)NC1CC([NH+]2CCCCC2)C1)[NH+](C)C ZINC000503431398 503408013 /nfs/dbraw/zinc/40/80/13/503408013.db2.gz QAYHIRXWRJKYAI-OXKPJDFFSA-N 2 0 372.557 3.302 20 0 FGADRP CC[NH+](CC)Cc1ccccc1CNC(=O)NCC1(C)CC[NH+](C)CC1 ZINC000508056434 503420793 /nfs/dbraw/zinc/42/07/93/503420793.db2.gz XJTBQWVCHUXGFA-UHFFFAOYSA-N 2 0 360.546 3.060 20 0 FGADRP C[C@H](C[NH2+]C[C@@H](O)CO[C@H](C)c1ccc(Cl)cc1)C[NH+]1CCCCC1 ZINC000516048597 503436931 /nfs/dbraw/zinc/43/69/31/503436931.db2.gz JYXQYACBBZHAEI-MBOZVWFJSA-N 2 0 368.949 3.490 20 0 FGADRP CN(C)Cc1cnc(CNC2(c3ccc(F)cc3F)CCOCC2)s1 ZINC000512055491 503445867 /nfs/dbraw/zinc/44/58/67/503445867.db2.gz CYGLHYZNDZTVQL-UHFFFAOYSA-N 2 0 367.465 3.278 20 0 FGADRP CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)c1nccnc1C(F)F ZINC000516108345 503447135 /nfs/dbraw/zinc/44/71/35/503447135.db2.gz CVWBONSEAIKEGK-UHFFFAOYSA-N 2 0 367.488 3.047 20 0 FGADRP CC[NH+]1CCN([C@@H]2CCN(Cc3csc(-c4ccccc4)n3)C2)CC1 ZINC000503619232 503447285 /nfs/dbraw/zinc/44/72/85/503447285.db2.gz XRKOARYOTITKIY-LJQANCHMSA-N 2 0 356.539 3.022 20 0 FGADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)N[C@@H]2CC[NH+](Cc3ccccc3)[C@@H]2C)C1 ZINC000493911313 503456830 /nfs/dbraw/zinc/45/68/30/503456830.db2.gz FWAOXDAMPLQTGL-HMXCVIKNSA-N 2 0 372.557 3.069 20 0 FGADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)N1CC[C@H]([NH+]2CCCCC2)C1)c1ccccc1 ZINC000503734190 503466314 /nfs/dbraw/zinc/46/63/14/503466314.db2.gz XHKMZDGWAZGXES-QUCCMNQESA-N 2 0 372.557 3.386 20 0 FGADRP C[N@H+](CC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)CC(C)(C)C ZINC000588903309 506374099 /nfs/dbraw/zinc/37/40/99/506374099.db2.gz UOPRLXBJKNYUBX-UHFFFAOYSA-N 2 0 365.949 3.399 20 0 FGADRP C[C@H]1CC[C@H](c2ccccc2)[N@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000512182629 503479738 /nfs/dbraw/zinc/47/97/38/503479738.db2.gz FLJJRJJQOIAFOQ-LAUBAEHRSA-N 2 0 355.526 3.203 20 0 FGADRP O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)c1cccc(C[NH+]2CCCC2)c1 ZINC000516383220 503504783 /nfs/dbraw/zinc/50/47/83/503504783.db2.gz PPPFCYLZROERBA-FQEVSTJZSA-N 2 0 367.493 3.442 20 0 FGADRP C[C@@H]1C[C@H](CC[NH2+][C@@H](C(N)=O)c2ccc(F)cc2)C[N@@H+]1Cc1ccccc1 ZINC000512289942 503510639 /nfs/dbraw/zinc/51/06/39/503510639.db2.gz QUSNGGLTQGBTOG-PLMTUMEDSA-N 2 0 369.484 3.242 20 0 FGADRP CCC[N@H+](CC)Cc1ccc(C(=O)NCc2ccc(N(C)C)nc2)cc1 ZINC000508602214 503527593 /nfs/dbraw/zinc/52/75/93/503527593.db2.gz ALTVCWIXPCCFDO-UHFFFAOYSA-N 2 0 354.498 3.310 20 0 FGADRP C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000516537131 503530221 /nfs/dbraw/zinc/53/02/21/503530221.db2.gz PGEFGHQWKIMWOF-LJQANCHMSA-N 2 0 364.578 3.203 20 0 FGADRP CC(C)[NH+]1CCN(c2cccc(NC(=O)C[NH+]3[C@@H](C)CC[C@@H]3C)c2)CC1 ZINC000504207400 503538727 /nfs/dbraw/zinc/53/87/27/503538727.db2.gz IKDKIRJGOBXUHC-ROUUACIJSA-N 2 0 358.530 3.028 20 0 FGADRP C[C@H]([NH3+])[C@H](C)C(=O)N1CCC([N@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000516568763 503538881 /nfs/dbraw/zinc/53/88/81/503538881.db2.gz XXFCVEYFJGIFQR-KBPBESRZSA-N 2 0 371.447 3.112 20 0 FGADRP C[C@H](CNC(=O)N[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1)C[NH+]1CCCCC1 ZINC000516582082 503542875 /nfs/dbraw/zinc/54/28/75/503542875.db2.gz QRWFNDIBVGGVRM-SVFBPWRDSA-N 2 0 372.557 3.243 20 0 FGADRP CC(C)Cc1ncc(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)s1 ZINC000512434332 503549837 /nfs/dbraw/zinc/54/98/37/503549837.db2.gz WGLCQCYPSKASHJ-UHFFFAOYSA-N 2 0 351.560 3.276 20 0 FGADRP CCn1c(C(=O)Nc2c[nH+]ccc2N2CCN(C)CC2)cc2ccccc21 ZINC000516624235 503553828 /nfs/dbraw/zinc/55/38/28/503553828.db2.gz OGQROUVTLBZELZ-UHFFFAOYSA-N 2 0 363.465 3.060 20 0 FGADRP CC[NH+](CC)Cc1cccc(CNC(=O)NC[C@@H](C)[N@@H+]2CCC[C@H](C)C2)c1 ZINC000500134111 503562259 /nfs/dbraw/zinc/56/22/59/503562259.db2.gz RECUHPKXAOAEPT-RBUKOAKNSA-N 2 0 374.573 3.448 20 0 FGADRP Clc1ccc(CCCC[N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)cc1Cl ZINC000504424829 503572524 /nfs/dbraw/zinc/57/25/24/503572524.db2.gz UANUFIBBBGSBRE-MRXNPFEDSA-N 2 0 356.341 3.296 20 0 FGADRP C[C@H](NC(=O)N1CCC([NH+]2CCCCC2)CC1)[C@@H](c1ccccc1)[NH+](C)C ZINC000508848864 503576376 /nfs/dbraw/zinc/57/63/76/503576376.db2.gz AYZDHKHDCJNHET-RXVVDRJESA-N 2 0 372.557 3.338 20 0 FGADRP C[C@@H](NC(=O)N(CC[NH+](C)C)C1CCCC1)[C@@H](c1ccccc1)[NH+](C)C ZINC000508856723 503578829 /nfs/dbraw/zinc/57/88/29/503578829.db2.gz WCYPJSXTWWZGLQ-XLIONFOSSA-N 2 0 360.546 3.194 20 0 FGADRP O=C1COc2ccc(C[NH+]3CCC(CCC[NH+]4CCCC4)CC3)cc2N1 ZINC000508855867 503579366 /nfs/dbraw/zinc/57/93/66/503579366.db2.gz KERSKBPGPALMEM-UHFFFAOYSA-N 2 0 357.498 3.106 20 0 FGADRP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)CC[C@H]3CCC[NH2+]3)cc2)C1 ZINC000494683439 503591085 /nfs/dbraw/zinc/59/10/85/503591085.db2.gz AIBOSXVFQKNNGG-DBXWQHBBSA-N 2 0 357.542 3.313 20 0 FGADRP Cc1ccccc1[C@H]([C@H](C)NC(=O)N1C[C@@H]([NH+]2CCCC2)C[C@@H]1C)[NH+](C)C ZINC000508902534 503595544 /nfs/dbraw/zinc/59/55/44/503595544.db2.gz WQTRIEKFCQTLBL-IWFBPKFRSA-N 2 0 372.557 3.254 20 0 FGADRP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)c1ccccc1CC[NH3+] ZINC000516874400 503606509 /nfs/dbraw/zinc/60/65/09/503606509.db2.gz FJTXSZLYMPNPCA-SFHVURJKSA-N 2 0 365.521 3.492 20 0 FGADRP Cc1cc(C[NH+]2CCC(OCC[NH+](C)C)CC2)cc(C)c1OC(F)F ZINC000536676607 503674956 /nfs/dbraw/zinc/67/49/56/503674956.db2.gz QRBPWWDVHLRNOX-UHFFFAOYSA-N 2 0 356.457 3.447 20 0 FGADRP CC(C)[C@@H]1CCCC[N@@H+]1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000532975829 503682797 /nfs/dbraw/zinc/68/27/97/503682797.db2.gz XMRHCONQBXSCBS-NRFANRHFSA-N 2 0 357.542 3.409 20 0 FGADRP C[C@@H]([NH2+]C[C@@H](O)COc1ccccc1C(F)(F)F)C(C)(C)C[NH+](C)C ZINC000517359505 503724381 /nfs/dbraw/zinc/72/43/81/503724381.db2.gz GPOQRTKNZRRSLD-ZIAGYGMSSA-N 2 0 362.436 3.011 20 0 FGADRP Cc1nn(-c2cc[nH+]cc2)cc1CN1CC[NH+](C2CCC(C)CC2)CC1 ZINC000543395348 503752729 /nfs/dbraw/zinc/75/27/29/503752729.db2.gz BQJZLDCZUZWCGT-UHFFFAOYSA-N 2 0 353.514 3.272 20 0 FGADRP C[C@H]1C[C@@H](NC(=O)Nc2ccc(OCC[NH+]3CCCCC3)cc2)CC[N@@H+]1C ZINC000533181660 503753104 /nfs/dbraw/zinc/75/31/04/503753104.db2.gz NYCTUJOCKVUJCC-HKUYNNGSSA-N 2 0 374.529 3.156 20 0 FGADRP CC[NH+](CC)CCNC(=O)NC[C@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC000517513138 503760648 /nfs/dbraw/zinc/76/06/48/503760648.db2.gz UHPHYASKVUFRCQ-HXUWFJFHSA-N 2 0 360.546 3.101 20 0 FGADRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC[C@@H](c2cccs2)[NH+](C)C)C1 ZINC000517593263 503780667 /nfs/dbraw/zinc/78/06/67/503780667.db2.gz MEQMOPRQXGKARL-CVEARBPZSA-N 2 0 366.575 3.161 20 0 FGADRP CC(C)[N@H+](C)CCCNC(=O)[C@@H](C)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000517667751 503801886 /nfs/dbraw/zinc/80/18/86/503801886.db2.gz FXSNFIABTXKZPO-LJQANCHMSA-N 2 0 359.558 3.176 20 0 FGADRP C[C@H](c1ccc(F)c(F)c1)[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000543523803 503801960 /nfs/dbraw/zinc/80/19/60/503801960.db2.gz XAALQUJJTWWTEA-MRXNPFEDSA-N 2 0 351.485 3.375 20 0 FGADRP CCC1(CC)[C@H]([NH2+]CC2(N3CCCCC3)CC[NH+](C)CC2)C[C@H]1OC ZINC000540593491 503826897 /nfs/dbraw/zinc/82/68/97/503826897.db2.gz HHXLZMFUEHVHBA-RTBURBONSA-N 2 0 351.579 3.120 20 0 FGADRP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000543639320 503837391 /nfs/dbraw/zinc/83/73/91/503837391.db2.gz DAZWXDFXMVXVQX-WIYYLYMNSA-N 2 0 372.557 3.023 20 0 FGADRP C[NH+](C)CC1(CNC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CCCC1 ZINC000546768052 503872732 /nfs/dbraw/zinc/87/27/32/503872732.db2.gz LPGZUAVNFQPMPC-HXUWFJFHSA-N 2 0 357.542 3.137 20 0 FGADRP CCC(CC)[C@H](CNC(=O)N(C)CCC[NH+]1CCCC1)[NH+]1CCCC1 ZINC000540757848 503881657 /nfs/dbraw/zinc/88/16/57/503881657.db2.gz DSTGZDDIXGFDEI-IBGZPJMESA-N 2 0 352.567 3.014 20 0 FGADRP CC(C)(C)c1ccc(NC(=O)CN2CCC(CO[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000530238455 503887870 /nfs/dbraw/zinc/88/78/70/503887870.db2.gz NSOBBDVKIMBNKV-HXUWFJFHSA-N 2 0 373.541 3.013 20 0 FGADRP Fc1ccc(-c2cnc(C[NH+]3CCC(CO[C@H]4CC[NH2+]C4)CC3)o2)cc1 ZINC000530241488 503891313 /nfs/dbraw/zinc/89/13/13/503891313.db2.gz QIGGSIJHLJETCT-SFHVURJKSA-N 2 0 359.445 3.071 20 0 FGADRP c1ccc(-c2cccc(C[NH+]3CCC(CO[C@@H]4CC[NH2+]C4)CC3)c2)nc1 ZINC000530248331 503894551 /nfs/dbraw/zinc/89/45/51/503894551.db2.gz JCSAYATUYVBYSZ-OAQYLSRUSA-N 2 0 351.494 3.339 20 0 FGADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)NC[C@H]2CC[NH+]2C2CCCC2)C1 ZINC000527691342 503897468 /nfs/dbraw/zinc/89/74/68/503897468.db2.gz JMXNHCZBJQKSIT-SLYNCCJLSA-N 2 0 370.541 3.138 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)NCC1(C[NH+](C)C)CCCC1)c1ccco1 ZINC000546847381 503900700 /nfs/dbraw/zinc/90/07/00/503900700.db2.gz DEOAVUYIFBXDKG-KRWDZBQOSA-N 2 0 364.534 3.084 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1Nc1cccc(OCC[NH+](C)C)c1 ZINC000537534147 503945468 /nfs/dbraw/zinc/94/54/68/503945468.db2.gz APIIUZWEFHUHKS-GCJKJVERSA-N 2 0 368.525 3.345 20 0 FGADRP Clc1ccc(-c2noc(CC[N@@H+]3CCCC[C@H]3[C@@H]3CC[NH2+]C3)n2)cc1 ZINC000518349056 503959252 /nfs/dbraw/zinc/95/92/52/503959252.db2.gz PAXRYJNWZJEAKQ-WBVHZDCISA-N 2 0 360.889 3.397 20 0 FGADRP CC(C)[C@H](C[NH2+][C@H]1CCc2cc(F)c(Cl)cc21)N1CC[NH+](C)CC1 ZINC000527854956 503974023 /nfs/dbraw/zinc/97/40/23/503974023.db2.gz ZKEAXOPSAJXFOC-OALUTQOASA-N 2 0 353.913 3.328 20 0 FGADRP CC[NH+](CC)CCCC1CCN(C(=O)N[C@H](C)C2=CC[N@H+](C)CC2)CC1 ZINC000541109499 504010862 /nfs/dbraw/zinc/01/08/62/504010862.db2.gz KSPIBOMJGLXOKH-GOSISDBHSA-N 2 0 364.578 3.180 20 0 FGADRP C[C@H]([NH2+]Cc1ccc2cn(C)nc2c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000527961076 504018167 /nfs/dbraw/zinc/01/81/67/504018167.db2.gz GMBAUXQVMGBPHE-INIZCTEOSA-N 2 0 352.482 3.365 20 0 FGADRP C[C@H](CCc1n[nH]c2ccccc21)[NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000541155298 504024562 /nfs/dbraw/zinc/02/45/62/504024562.db2.gz BGWNVNKYAXURGG-KZNAEPCWSA-N 2 0 358.530 3.363 20 0 FGADRP C[C@](O)(C[NH2+]CC1CC[NH+](Cc2ccccc2Cl)CC1)C(F)(F)F ZINC000518758781 504055486 /nfs/dbraw/zinc/05/54/86/504055486.db2.gz ADJHAIGOJBUKTA-INIZCTEOSA-N 2 0 364.839 3.455 20 0 FGADRP Cc1c[nH+]ccc1N1CCC(C(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)CC1 ZINC000530730253 504067699 /nfs/dbraw/zinc/06/76/99/504067699.db2.gz QZIVQUSARHBAFA-FQEVSTJZSA-N 2 0 370.541 3.083 20 0 FGADRP C[C@H](CCNC(=O)C1CC[NH+](Cc2ccccc2)CC1)[NH+]1CCCCC1 ZINC000544334802 504092192 /nfs/dbraw/zinc/09/21/92/504092192.db2.gz WFHDSWCGGAORCJ-LJQANCHMSA-N 2 0 357.542 3.279 20 0 FGADRP COCC[N@H+](CCc1ccccc1)Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000544349718 504099267 /nfs/dbraw/zinc/09/92/67/504099267.db2.gz LOSQXCSERIZBGE-UHFFFAOYSA-N 2 0 350.466 3.267 20 0 FGADRP CN(CCC[NH+]1CCCC1)C(=O)NC[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000519035403 504123403 /nfs/dbraw/zinc/12/34/03/504123403.db2.gz UDYIVHYWWYOYMY-QFIPXVFZSA-N 2 0 372.557 3.168 20 0 FGADRP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(C[NH2+][C@H]3CCC[C@H]3C3CC3)c2)C1 ZINC000538100151 504132480 /nfs/dbraw/zinc/13/24/80/504132480.db2.gz BMRFROGOWACMHT-HKBOAZHASA-N 2 0 355.526 3.052 20 0 FGADRP Cc1c[nH+]ccc1N1CCC(C(=O)N2CC[N@@H+](C)CC23CCCCC3)CC1 ZINC000530964930 504145631 /nfs/dbraw/zinc/14/56/31/504145631.db2.gz CFNAKIYDDIGXOY-UHFFFAOYSA-N 2 0 370.541 3.083 20 0 FGADRP CC(C)[N@@H+]1CC[C@H](CNC(=O)NC[C@]2(C)CCC[NH+]2Cc2ccccc2)C1 ZINC000547633603 504162817 /nfs/dbraw/zinc/16/28/17/504162817.db2.gz RWCNBDJVZJKSBW-IRLDBZIGSA-N 2 0 372.557 3.071 20 0 FGADRP O=C1CC[C@H]([NH2+]CC2CCN(c3cc[nH+]cc3)CC2)c2ccccc2N1 ZINC000541541753 504170336 /nfs/dbraw/zinc/17/03/36/504170336.db2.gz DKHSZJDCHCRQDA-IBGZPJMESA-N 2 0 350.466 3.361 20 0 FGADRP Cn1ccnc1[C@@H]1CC[N@H+](Cc2nn(-c3ccc(F)cc3)c3c2CCC3)C1 ZINC000541589562 504190021 /nfs/dbraw/zinc/19/00/21/504190021.db2.gz CQCHOQAAQLGSKA-OAHLLOKOSA-N 2 0 365.456 3.223 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N(C)CCC[NH+](C)C)c1ccccc1Cl ZINC000544636399 504199971 /nfs/dbraw/zinc/19/99/71/504199971.db2.gz YBMDFINXXIANGE-GOSISDBHSA-N 2 0 368.953 3.316 20 0 FGADRP C[NH+](C)[C@H](CNC(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1)c1ccc(Cl)cc1 ZINC000531156657 504209376 /nfs/dbraw/zinc/20/93/76/504209376.db2.gz CSVRBYXLZIIXBB-RCCFBDPRSA-N 2 0 366.937 3.115 20 0 FGADRP C[C@H]1CC[N@H+](CCOc2ccc(NC(=O)c3ccc4c[nH+]cn4c3)cc2)C1 ZINC000519416631 504215223 /nfs/dbraw/zinc/21/52/23/504215223.db2.gz KMUHXSXNYYSUBJ-INIZCTEOSA-N 2 0 364.449 3.307 20 0 FGADRP CC[N@H+](CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)Cc1ccc(C)cc1 ZINC000547786470 504225025 /nfs/dbraw/zinc/22/50/25/504225025.db2.gz UGUUUTXTQRTVPF-OAQYLSRUSA-N 2 0 353.510 3.236 20 0 FGADRP C[C@@H]1C[C@H](N(C)C(=O)NCCC[NH+]2CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000519479574 504228890 /nfs/dbraw/zinc/22/88/90/504228890.db2.gz DHDTWYAJFXAMED-TZIWHRDSSA-N 2 0 372.557 3.167 20 0 FGADRP CC[N@H+](C)C[C@@H](O)CN[C@H](Cc1ccccc1)c1nc2ccccc2s1 ZINC000519539649 504246181 /nfs/dbraw/zinc/24/61/81/504246181.db2.gz CHXRJOLDUYRIHY-PKOBYXMFSA-N 2 0 369.534 3.482 20 0 FGADRP C[C@@H](CCNC(=O)N1CCC[N@@H+](C(C)(C)C)CC1)[NH+](C)Cc1ccccc1 ZINC000531322889 504265937 /nfs/dbraw/zinc/26/59/37/504265937.db2.gz VTVAAOQVIBPVFS-IBGZPJMESA-N 2 0 374.573 3.413 20 0 FGADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000531357243 504277445 /nfs/dbraw/zinc/27/74/45/504277445.db2.gz GVDAHCTYHVGBQM-LSDHHAIUSA-N 2 0 372.340 3.049 20 0 FGADRP CCC[NH+]1CCN(c2ccccc2CN[C@@H]2CC[N@@H+](C3CCCC3)C2)CC1 ZINC000531531956 504336388 /nfs/dbraw/zinc/33/63/88/504336388.db2.gz ICCYLYVRFFRPIF-OAQYLSRUSA-N 2 0 370.585 3.325 20 0 FGADRP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000519797207 504342332 /nfs/dbraw/zinc/34/23/32/504342332.db2.gz RJYPAACCUJLAOM-HBFSDRIKSA-N 2 0 360.546 3.067 20 0 FGADRP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]C[C@@]2(C)CCCS2)CC1 ZINC000538878809 504402892 /nfs/dbraw/zinc/40/28/92/504402892.db2.gz OIJMWTXUKWGTPO-GOSISDBHSA-N 2 0 353.963 3.467 20 0 FGADRP CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)[C@@H](C)[NH2+]C(C)(C)CC ZINC000542513855 504520888 /nfs/dbraw/zinc/52/08/88/504520888.db2.gz XEVDQNUASCPZCT-MRXNPFEDSA-N 2 0 373.545 3.483 20 0 FGADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]C[C@]1(O)CCC[C@@H](C(F)(F)F)C1 ZINC000548691549 504529712 /nfs/dbraw/zinc/52/97/12/504529712.db2.gz OWJUWEJWEBYCPR-WBVHZDCISA-N 2 0 368.403 3.149 20 0 FGADRP CN1CC[NH+](CC2(C)CC[NH+](CCOC3CCCCCC3)CC2)CC1 ZINC000542594136 504548576 /nfs/dbraw/zinc/54/85/76/504548576.db2.gz JLNQDJJKZYGXFE-UHFFFAOYSA-N 2 0 351.579 3.075 20 0 FGADRP C[NH+]1CCN(c2cc(C[NH2+][C@@H]3CCc4c3cccc4Cl)ccn2)CC1 ZINC000532193980 504569615 /nfs/dbraw/zinc/56/96/15/504569615.db2.gz JZFJOLTZQVWELW-LJQANCHMSA-N 2 0 356.901 3.264 20 0 FGADRP CC[C@H]([NH2+][C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1)C1CCOCC1 ZINC000532215062 504575496 /nfs/dbraw/zinc/57/54/96/504575496.db2.gz KAUNIKXBPOTTGN-JXFKEZNVSA-N 2 0 363.521 3.433 20 0 FGADRP C[C@H](CC[NH+](C)C)[NH2+][C@@H](C)CC(=O)Nc1ccc(Br)cc1 ZINC000532218683 504576657 /nfs/dbraw/zinc/57/66/57/504576657.db2.gz JKZQOIIHUCBIFA-OLZOCXBDSA-N 2 0 356.308 3.096 20 0 FGADRP CC1CC[NH+](Cc2ccc(C[NH2+][C@@H](Cc3ccccc3)C(N)=O)cc2)CC1 ZINC000542729504 504589684 /nfs/dbraw/zinc/58/96/84/504589684.db2.gz XNWDTGBPXQGOGY-QFIPXVFZSA-N 2 0 365.521 3.105 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N[C@@H]2CC[NH2+]C23CCC3)cc1 ZINC000529289247 504621532 /nfs/dbraw/zinc/62/15/32/504621532.db2.gz NVIWYBSDQLIULX-YLJYHZDGSA-N 2 0 370.541 3.145 20 0 FGADRP CC(C)C[C@H]1CCC[N@@H+]1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000532523294 504682144 /nfs/dbraw/zinc/68/21/44/504682144.db2.gz VVNFNNZFEVBCIB-OAQYLSRUSA-N 2 0 357.542 3.409 20 0 FGADRP O=C(NC1CC[NH+](C2CCCCC2)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000521268959 504698109 /nfs/dbraw/zinc/69/81/09/504698109.db2.gz OSTCZXHRQODAPI-HXUWFJFHSA-N 2 0 369.553 3.422 20 0 FGADRP C[C@H](Cc1ccsc1)[NH+]1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000543078858 504715917 /nfs/dbraw/zinc/71/59/17/504715917.db2.gz CQGASBASFWTKQS-MRXNPFEDSA-N 2 0 365.587 3.095 20 0 FGADRP C[C@@H]1[C@H]([NH2+]Cc2ccc(C(=O)NCC[NH+](C)C)cc2)C[C@@H]1c1ccccc1 ZINC000543097618 504723733 /nfs/dbraw/zinc/72/37/33/504723733.db2.gz RRDWDSMADHDEPN-BULFRSBZSA-N 2 0 365.521 3.260 20 0 FGADRP C[NH+](C)[C@H]1CC[C@@H]2[C@@H](C1)OCCN2CC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000539894557 504733104 /nfs/dbraw/zinc/73/31/04/504733104.db2.gz AMZVEWGYCBOSAZ-BHDDXSALSA-N 2 0 373.585 3.328 20 0 FGADRP C[C@@H](C(=O)NC(C)(C)C)[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000536487005 504746751 /nfs/dbraw/zinc/74/67/51/504746751.db2.gz XXKGWUXJVAMISQ-SFHVURJKSA-N 2 0 357.542 3.278 20 0 FGADRP CC[N@H+](CCC1CC[NH+](CC(=O)NCc2ccccc2)CC1)CC1CC1 ZINC000540050546 504766119 /nfs/dbraw/zinc/76/61/19/504766119.db2.gz UPUMDTSWXIFHCY-UHFFFAOYSA-N 2 0 357.542 3.137 20 0 FGADRP C[NH+]1CCC2(CC1)C[C@@H]([NH2+]C[C@@H](CO)Cc1ccco1)c1ccccc1O2 ZINC000559116546 504785723 /nfs/dbraw/zinc/78/57/23/504785723.db2.gz WQAKKSHCFKTKKY-FXAWDEMLSA-N 2 0 370.493 3.008 20 0 FGADRP c1ccc(C[NH2+][C@@H]2CCO[C@@H]2C2CC2)c(C[NH2+][C@@H]2CCO[C@@H]2C2CC2)c1 ZINC000562361191 504794834 /nfs/dbraw/zinc/79/48/34/504794834.db2.gz AEUHSEMAWQSJBM-GXRSIYKFSA-N 2 0 356.510 3.001 20 0 FGADRP CSC1(C[NH2+]CCC(=O)Nc2cccc(Cl)c2)CC[NH+](C)CC1 ZINC000565298813 504847597 /nfs/dbraw/zinc/84/75/97/504847597.db2.gz AENKLQACNYMMJW-UHFFFAOYSA-N 2 0 355.935 3.086 20 0 FGADRP C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000562624043 504884448 /nfs/dbraw/zinc/88/44/48/504884448.db2.gz VSBGDBHUQBPACX-HXUWFJFHSA-N 2 0 372.557 3.202 20 0 FGADRP C[N@@H+]1CCC[C@]2(CC[NH+](C[C@@H](O)Cc3ccccc3C(F)(F)F)C2)C1 ZINC000549841651 504913549 /nfs/dbraw/zinc/91/35/49/504913549.db2.gz XQWZHKDKCZVBPW-WMZOPIPTSA-N 2 0 356.432 3.027 20 0 FGADRP C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)[C@@H](n2cncn2)C1 ZINC000559732735 504918083 /nfs/dbraw/zinc/91/80/83/504918083.db2.gz PXLPJYCXLYEFJW-UIFIKXQLSA-N 2 0 353.514 3.393 20 0 FGADRP CC[C@H]([NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(C(=O)OC)cc1 ZINC000559742870 504921453 /nfs/dbraw/zinc/92/14/53/504921453.db2.gz GUAYBSZGBSJCPM-QKLQHJQFSA-N 2 0 362.514 3.403 20 0 FGADRP CC(C)[NH2+]CCCNC(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000565588738 504931132 /nfs/dbraw/zinc/93/11/32/504931132.db2.gz RZHPOBCXWFHEKD-UHFFFAOYSA-N 2 0 360.546 3.250 20 0 FGADRP [NH3+]Cc1cn([C@@H]2CCC[N@H+](Cc3ccc(-c4cccc(F)c4)s3)C2)nn1 ZINC000562750784 504933265 /nfs/dbraw/zinc/93/32/65/504933265.db2.gz VCLOJNGUDVZPRK-QGZVFWFLSA-N 2 0 371.485 3.442 20 0 FGADRP C[NH+](C)[C@@H]1CCc2cc(NC(=O)N3C[C@@H](c4ccccc4)[C@H]([NH3+])C3)ccc21 ZINC000562765989 504937637 /nfs/dbraw/zinc/93/76/37/504937637.db2.gz SKHXZIFVELINFO-PWRODBHTSA-N 2 0 364.493 3.194 20 0 FGADRP C[C@]1(CNC(=O)Nc2ccc3c(c2)C[NH2+]C3)CCC[N@@H+]1Cc1ccccc1 ZINC000562772532 504940123 /nfs/dbraw/zinc/94/01/23/504940123.db2.gz GHPDIABZNOXQRX-JOCHJYFZSA-N 2 0 364.493 3.466 20 0 FGADRP C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)c3ccc4c[nH+]cn4c3)cc2)C1 ZINC000550220896 504995476 /nfs/dbraw/zinc/99/54/76/504995476.db2.gz XWFDYQNVQYBMRI-KRWDZBQOSA-N 2 0 362.477 3.496 20 0 FGADRP Cc1ccnc([C@@H](C)[NH2+]Cc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)c1 ZINC000556886371 505006554 /nfs/dbraw/zinc/00/65/54/505006554.db2.gz LSWOZGTXNNMQRB-GOSISDBHSA-N 2 0 366.509 3.066 20 0 FGADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH+]1CCC(CO)(c2ccccc2)CC1 ZINC000556895319 505009929 /nfs/dbraw/zinc/00/99/29/505009929.db2.gz JFOWGWNFFUJUKN-UHFFFAOYSA-N 2 0 362.477 3.102 20 0 FGADRP CCC[N@@H+]1CC[C@@H](C[NH2+]C[C@@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000562985174 505009944 /nfs/dbraw/zinc/00/99/44/505009944.db2.gz ICVAMZVQXQYEGS-DZGCQCFKSA-N 2 0 361.313 3.055 20 0 FGADRP C[NH+](C)[C@@H](CNC(=O)Nc1ccc2c(c1)C[NH2+]C2)c1ccc(Cl)cc1 ZINC000565882354 505015995 /nfs/dbraw/zinc/01/59/95/505015995.db2.gz ZGLLSERZLYASIE-SFHVURJKSA-N 2 0 358.873 3.368 20 0 FGADRP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)C[C@H](O)CC(F)(F)F)C2)s1 ZINC000565917908 505026367 /nfs/dbraw/zinc/02/63/67/505026367.db2.gz STNUCDRWWKZETB-UONOGXRCSA-N 2 0 350.450 3.124 20 0 FGADRP C[C@@H]1C[C@H](C[N@@H+]2CCC[C@@H](CNC(=O)Nc3cccc(F)c3)C2)CC[NH2+]1 ZINC000565939074 505032859 /nfs/dbraw/zinc/03/28/59/505032859.db2.gz JHTZTFTZKBKRBG-ZACQAIPSSA-N 2 0 362.493 3.047 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)[C@H](C)[NH2+]C1CC1)c1ccc(C(F)(F)F)cc1 ZINC000563054944 505034978 /nfs/dbraw/zinc/03/49/78/505034978.db2.gz CMXBVCWNXPUMTF-GUYCJALGSA-N 2 0 371.447 3.345 20 0 FGADRP C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)C[C@@H]3CCCC[C@@H]3[NH3+])cc2)C1 ZINC000563060544 505036869 /nfs/dbraw/zinc/03/68/69/505036869.db2.gz IJWVGVJIHHJLDC-QMMLZNLJSA-N 2 0 357.542 3.442 20 0 FGADRP CC(C)([NH3+])C(=O)NCc1ccccc1-c1ccc(C[NH+]2CCCC2)cc1 ZINC000553965009 505054981 /nfs/dbraw/zinc/05/49/81/505054981.db2.gz FVBZXPPXJOJZJU-UHFFFAOYSA-N 2 0 351.494 3.303 20 0 FGADRP O=C(CC[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2)Nc1cccc(C(F)(F)F)c1 ZINC000563149523 505060278 /nfs/dbraw/zinc/06/02/78/505060278.db2.gz JOGVWGXSNCVLIC-QGZVFWFLSA-N 2 0 355.404 3.110 20 0 FGADRP C[C@H]([NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1)c1ccc2c(c1)COC2 ZINC000566092425 505078397 /nfs/dbraw/zinc/07/83/97/505078397.db2.gz LGXMKHKCLGLUMM-SFHVURJKSA-N 2 0 365.521 3.361 20 0 FGADRP CSc1cc(NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)ccc1Cl ZINC000557156431 505080795 /nfs/dbraw/zinc/08/07/95/505080795.db2.gz HTEJTTQOKXPFFL-UHFFFAOYSA-N 2 0 358.939 3.019 20 0 FGADRP CC[N@H+](CCC1CC[NH+]([C@@H]2CCCN(C(C)C)C2=O)CC1)CC(C)C ZINC000557319240 505107333 /nfs/dbraw/zinc/10/73/33/505107333.db2.gz YBIRVQAAVZLBKJ-HXUWFJFHSA-N 2 0 351.579 3.466 20 0 FGADRP C[C@@H](C[NH2+][C@@H](c1cccc(OC(F)(F)F)c1)C1CC1)N1CC[NH+](C)CC1 ZINC000560529915 505116370 /nfs/dbraw/zinc/11/63/70/505116370.db2.gz MOYINTNXBMTQRS-KBXCAEBGSA-N 2 0 371.447 3.262 20 0 FGADRP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H](C)C1)C(C)(C)n1cncn1 ZINC000550886556 505120701 /nfs/dbraw/zinc/12/07/01/505120701.db2.gz HMCFIZLOOWAUDF-MSOLQXFVSA-N 2 0 355.530 3.423 20 0 FGADRP C[C@H](C(=O)Nc1cccc2ccccc21)[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000566242738 505121160 /nfs/dbraw/zinc/12/11/60/505121160.db2.gz XQMWSCFVDSOYTI-VQIMIIECSA-N 2 0 351.494 3.488 20 0 FGADRP C[C@@H]([NH2+]C1(CNC(=O)c2conc2C(C)(C)[NH3+])CCCC1)c1ccccc1 ZINC000563413433 505136090 /nfs/dbraw/zinc/13/60/90/505136090.db2.gz ZMJGMCHCNJCTDT-OAHLLOKOSA-N 2 0 370.497 3.262 20 0 FGADRP [NH3+]Cc1ccc(C(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)cc1 ZINC000554300878 505139347 /nfs/dbraw/zinc/13/93/47/505139347.db2.gz GZJRJRVIARUQNU-IBGZPJMESA-N 2 0 357.885 3.366 20 0 FGADRP C[N@@H+]1CC[C@H](NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)C[C@H]1c1ccccc1 ZINC000551087645 505154998 /nfs/dbraw/zinc/15/49/98/505154998.db2.gz VNXVQLPEMFGLPP-BJESRGMDSA-N 2 0 371.569 3.179 20 0 FGADRP C[C@H](NC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)[C@H](c1ccccc1)[NH+](C)C ZINC000554449840 505176300 /nfs/dbraw/zinc/17/63/00/505176300.db2.gz PVBUOHLBPOEHJW-DZFGPLHGSA-N 2 0 368.525 3.280 20 0 FGADRP Cc1cccc(N2CCN(CCC[NH2+][C@H](C)c3ccncc3F)CC2)c1 ZINC000551267375 505189640 /nfs/dbraw/zinc/18/96/40/505189640.db2.gz COXHYBOUIQXBLN-GOSISDBHSA-N 2 0 356.489 3.392 20 0 FGADRP CCc1ccc(C[N@@H+]2CCC[C@@H](CN3CCCN(C(C)=O)CC3)C2)s1 ZINC000566543062 505200067 /nfs/dbraw/zinc/20/00/67/505200067.db2.gz PQGTWMNPJFFLOP-SFHVURJKSA-N 2 0 363.571 3.077 20 0 FGADRP C[C@@H]1CC[N@H+](CC(=O)NCc2ccc(C[NH+]3C[C@@H](C)C[C@H](C)C3)cc2)C1 ZINC000554597633 505217109 /nfs/dbraw/zinc/21/71/09/505217109.db2.gz OCPVNYADEVEGSK-QYZOEREBSA-N 2 0 357.542 3.123 20 0 FGADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000560972128 505219588 /nfs/dbraw/zinc/21/95/88/505219588.db2.gz NJYHIIBIEJRMPJ-WWMCIYDGSA-N 2 0 361.917 3.050 20 0 FGADRP C[C@](CO)(C[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)Cc1ccccc1 ZINC000563804497 505243720 /nfs/dbraw/zinc/24/37/20/505243720.db2.gz PTLZNJUYPMGLQY-MZYLBHOOSA-N 2 0 366.505 3.073 20 0 FGADRP C[C@H]1C[NH+](CCC2CC[NH+](Cc3cnc(C(C)(C)C)nc3)CC2)C[C@H](C)O1 ZINC000551552384 505251173 /nfs/dbraw/zinc/25/11/73/505251173.db2.gz MXYTUUGRPVEWKO-ROUUACIJSA-N 2 0 374.573 3.485 20 0 FGADRP O=C(CC[NH2+]CC1CCN(c2cc[nH+]cc2)CC1)Nc1cccc(F)c1 ZINC000566733557 505258999 /nfs/dbraw/zinc/25/89/99/505258999.db2.gz WGRBMKOMBNQEED-UHFFFAOYSA-N 2 0 356.445 3.056 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC000561154061 505265781 /nfs/dbraw/zinc/26/57/81/505265781.db2.gz NUPOJRUGUBJRLI-KDURUIRLSA-N 2 0 359.558 3.279 20 0 FGADRP CCc1ccc(C[N@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)cn1 ZINC000554855795 505282185 /nfs/dbraw/zinc/28/21/85/505282185.db2.gz BAKQSYVUIDLTGX-UHFFFAOYSA-N 2 0 358.574 3.272 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1ccc(OC(F)F)cc1 ZINC000554882255 505288904 /nfs/dbraw/zinc/28/89/04/505288904.db2.gz JPASUJUBYWCBPS-QGZVFWFLSA-N 2 0 355.473 3.136 20 0 FGADRP CC1CC[NH+](CCc2cccc(NC(=O)c3csc(CC[NH3+])n3)c2)CC1 ZINC000566858878 505293103 /nfs/dbraw/zinc/29/31/03/505293103.db2.gz FRUBITFNHCFWSS-UHFFFAOYSA-N 2 0 372.538 3.171 20 0 FGADRP [NH3+][C@H]1CCO[C@@H](C2CC[NH+](Cc3coc(-c4ccc(F)cc4)n3)CC2)C1 ZINC000561283534 505304760 /nfs/dbraw/zinc/30/47/60/505304760.db2.gz HTLGJPQPYKVVOK-PKOBYXMFSA-N 2 0 359.445 3.199 20 0 FGADRP O=C(CC[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1)Nc1ccccc1 ZINC000554959507 505311731 /nfs/dbraw/zinc/31/17/31/505311731.db2.gz GHEBRYZWPJGGKY-SFTDATJTSA-N 2 0 363.505 3.469 20 0 FGADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000555133781 505359625 /nfs/dbraw/zinc/35/96/25/505359625.db2.gz WRJBKCHFCCTJRF-YJBOKZPZSA-N 2 0 366.937 3.116 20 0 FGADRP CC[C@H](C)[NH2+][C@H](CNC(=O)NCc1ccc(C[NH+](C)C)cc1)c1ccco1 ZINC000558376994 505370964 /nfs/dbraw/zinc/37/09/64/505370964.db2.gz HADYWYSWFOILLD-QFBILLFUSA-N 2 0 372.513 3.270 20 0 FGADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]Cc1ccc(OCC(F)(F)F)nc1 ZINC000567159411 505381168 /nfs/dbraw/zinc/38/11/68/505381168.db2.gz YEHIEEBHAFWQBM-NSHDSACASA-N 2 0 354.376 3.036 20 0 FGADRP C[C@H](CCNC(=O)N1C[C@@H]([NH+]2CCCC2)C[C@H]1C)[N@H+](C)Cc1ccccc1 ZINC000561608809 505389698 /nfs/dbraw/zinc/38/96/98/505389698.db2.gz JUCIBILHSMPGDF-SBHAEUEKSA-N 2 0 372.557 3.165 20 0 FGADRP C[C@]12CCC[N@@H+]1C[C@@H](c1noc(-c3cccc(C[NH+]4CCCC4)c3)n1)OC2 ZINC000567199940 505392744 /nfs/dbraw/zinc/39/27/44/505392744.db2.gz IXYNIRXFCYDXOT-GHTZIAJQSA-N 2 0 368.481 3.258 20 0 FGADRP C[NH+](C)CC1CCN(C(=O)CCn2c3ccccc3nc2C2CC2)CC1 ZINC000552128592 505410162 /nfs/dbraw/zinc/41/01/62/505410162.db2.gz JHALPYORWIJFTL-UHFFFAOYSA-N 2 0 354.498 3.104 20 0 FGADRP CCc1ccc([C@H](C)NC(=O)[C@H](C)N2CC[C@]3(C2)CCC[N@H+](C)C3)cc1 ZINC000555598434 505468969 /nfs/dbraw/zinc/46/89/69/505468969.db2.gz UARKHYRBWWTCJB-NPPFBWRTSA-N 2 0 357.542 3.232 20 0 FGADRP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000564658527 505485087 /nfs/dbraw/zinc/48/50/87/505485087.db2.gz JXAVKHOGUGWQMP-WIYYLYMNSA-N 2 0 357.542 3.230 20 0 FGADRP CC[C@H](C(=O)NC[C@H](c1ccco1)[NH+]1CCCC1)[N@H+](C)Cc1ccccc1 ZINC000562034203 505497745 /nfs/dbraw/zinc/49/77/45/505497745.db2.gz RIOFWWMDFKFYGF-WOJBJXKFSA-N 2 0 369.509 3.443 20 0 FGADRP CC1(C)CC([NH2+]C[C@@H](O)COc2ccccc2C(F)(F)F)CC(C)(C)[NH2+]1 ZINC000567576414 505503669 /nfs/dbraw/zinc/50/36/69/505503669.db2.gz CUCVREGAMUZVIQ-CQSZACIVSA-N 2 0 374.447 3.344 20 0 FGADRP O=C(c1ccc2c[nH+]cn2c1)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000555870446 505530025 /nfs/dbraw/zinc/53/00/25/505530025.db2.gz YEBBHWSYXHQECL-UHFFFAOYSA-N 2 0 362.477 3.115 20 0 FGADRP C[NH+](C)Cc1ccccc1C(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000558931752 505532948 /nfs/dbraw/zinc/53/29/48/505532948.db2.gz CNISHPPWXXSWBI-LJQANCHMSA-N 2 0 359.901 3.434 20 0 FGADRP CCCC[N@H+](C)C[C@H](C)NC(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000562254279 505553847 /nfs/dbraw/zinc/55/38/47/505553847.db2.gz FYBMLFVKEJCWGO-ZWKOTPCHSA-N 2 0 364.534 3.226 20 0 FGADRP [NH3+][C@H]1CCCC[C@@H]1CC(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000564931346 505560705 /nfs/dbraw/zinc/56/07/05/505560705.db2.gz GOLIQQQOTGJWMN-RTWAWAEBSA-N 2 0 369.553 3.409 20 0 FGADRP C[C@H](NC(=O)[C@H](C)[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1)c1cc2ccccc2o1 ZINC000564989519 505565868 /nfs/dbraw/zinc/56/58/68/505565868.db2.gz PNFLNWYEBCCLDV-CAMMJAKZSA-N 2 0 369.509 3.320 20 0 FGADRP C[C@@H](C(=O)Nc1ccc(C(F)(F)F)cc1)[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000567889197 505570156 /nfs/dbraw/zinc/57/01/56/505570156.db2.gz BPAHAHFUSWHGJQ-DZGCQCFKSA-N 2 0 369.431 3.354 20 0 FGADRP COc1ccccc1-c1ccc(C[NH2+]CC(C)(C)N2CC[NH+](C)CC2)cc1 ZINC000608053409 506397557 /nfs/dbraw/zinc/39/75/57/506397557.db2.gz HWJDJSUQMMAXMD-UHFFFAOYSA-N 2 0 367.537 3.478 20 0 FGADRP C[NH+]1CCN(c2ccc(C(F)(F)F)cc2C[NH2+]Cc2cccnc2)CC1 ZINC000608060627 506402711 /nfs/dbraw/zinc/40/27/11/506402711.db2.gz RTYCSPVMFBVALY-UHFFFAOYSA-N 2 0 364.415 3.142 20 0 FGADRP C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)C1 ZINC000582863422 506461158 /nfs/dbraw/zinc/46/11/58/506461158.db2.gz HFTUQNFHGPEKJC-UBBRYJJRSA-N 2 0 369.553 3.455 20 0 FGADRP CC[C@@H](C)[N@H+](C)CCNC(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000589203974 506483122 /nfs/dbraw/zinc/48/31/22/506483122.db2.gz KLOFKQHCEYVTKM-GOSISDBHSA-N 2 0 352.567 3.205 20 0 FGADRP CC(C)C[NH+]1CCN(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000612211019 506484199 /nfs/dbraw/zinc/48/41/99/506484199.db2.gz CWEOSYDJSYUMRU-UHFFFAOYSA-N 2 0 372.557 3.156 20 0 FGADRP CC[C@@H](C)[N@H+](C)CCNC(=O)NCc1ccc(C[NH+]2CCC[C@@H](C)C2)cc1 ZINC000589209032 506485287 /nfs/dbraw/zinc/48/52/87/506485287.db2.gz KMORRMCRIVOUFN-RTBURBONSA-N 2 0 374.573 3.448 20 0 FGADRP CC[C@@H](C)[N@H+](C)CCNC(=O)NCc1ccccc1C[NH+]1CCC[C@H](C)C1 ZINC000589209798 506485485 /nfs/dbraw/zinc/48/54/85/506485485.db2.gz XCVPSVSJUDHETG-RBUKOAKNSA-N 2 0 374.573 3.448 20 0 FGADRP CCOC(=O)C1([C@H](C)[NH2+][C@@H](c2ccccc2F)C(C)C)CC[NH2+]CC1 ZINC000596647929 506508468 /nfs/dbraw/zinc/50/84/68/506508468.db2.gz CZSYOOKDQWICPS-MAUKXSAKSA-N 2 0 350.478 3.434 20 0 FGADRP C[C@@H](C(=O)N(CC[NH+](C)C)Cc1ccccc1F)[C@@H]([NH3+])c1ccccc1 ZINC000583082815 506581113 /nfs/dbraw/zinc/58/11/13/506581113.db2.gz CLBWBQIJFZTLMZ-OXQOHEQNSA-N 2 0 357.473 3.052 20 0 FGADRP Cc1ccccc1C[NH+]1CCC(NC(=O)C[NH+]2C3CCCC2CCC3)CC1 ZINC000608499345 506588902 /nfs/dbraw/zinc/58/89/02/506588902.db2.gz HQOYDNSTBRAXID-UHFFFAOYSA-N 2 0 369.553 3.483 20 0 FGADRP C[C@@H]1C[N@@H+](Cc2ccc(C[NH2+]Cc3ccc4[nH]cnc4c3)cc2)C[C@H](C)O1 ZINC000589639025 506615029 /nfs/dbraw/zinc/61/50/29/506615029.db2.gz NWXQLRRNVMDRSY-CALCHBBNSA-N 2 0 364.493 3.462 20 0 FGADRP Cc1cnccc1OC1CCN([C@H](C)C(=O)NCc2ccc(F)cc2)CC1 ZINC000583180246 506631733 /nfs/dbraw/zinc/63/17/33/506631733.db2.gz ADDAIEVKWIBITK-MRXNPFEDSA-N 2 0 371.456 3.077 20 0 FGADRP C[NH+](C)CCCOc1ccc(NC(=O)NC2CC[NH+](CC3CC3)CC2)cc1 ZINC000593502549 506656237 /nfs/dbraw/zinc/65/62/37/506656237.db2.gz UFNSVPDRQCGLLZ-UHFFFAOYSA-N 2 0 374.529 3.013 20 0 FGADRP COC(=O)COc1c(C)cc(C[N@@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)cc1C ZINC000583230566 506661946 /nfs/dbraw/zinc/66/19/46/506661946.db2.gz AKVZESJCDJBAIC-FQEVSTJZSA-N 2 0 374.525 3.019 20 0 FGADRP C[C@@H](CNC(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)[NH+]1CCC(C)CC1 ZINC000604112285 506718551 /nfs/dbraw/zinc/71/85/51/506718551.db2.gz SMQCXFBCEHBARD-FPOVZHCZSA-N 2 0 372.557 3.071 20 0 FGADRP C[C@H](c1ccc(Cl)cc1)N(C)C(=O)C[N@@H+]1CC[C@H](c2nccn2C)C1 ZINC000583330107 506720177 /nfs/dbraw/zinc/72/01/77/506720177.db2.gz MZWDYYOMYAZIMW-ZBFHGGJFSA-N 2 0 360.889 3.082 20 0 FGADRP C[C@H]1CCCC[N@@H+]1CCNC(=O)N[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000590078970 506727787 /nfs/dbraw/zinc/72/77/87/506727787.db2.gz MJJHOAANWVNUTN-FPOVZHCZSA-N 2 0 372.557 3.387 20 0 FGADRP C[C@H]1CCC[N@H+](CCNC(=O)N[C@H](C[NH+]2CCCCC2)c2ccccc2)C1 ZINC000604171437 506733823 /nfs/dbraw/zinc/73/38/23/506733823.db2.gz KWQFAVUUQZGZJW-PZJWPPBQSA-N 2 0 372.557 3.245 20 0 FGADRP C[NH+](C)CC1CCC(NC(=O)[C@@H]2CCC[N@H+](CCc3ccccc3)C2)CC1 ZINC000612796709 506751222 /nfs/dbraw/zinc/75/12/22/506751222.db2.gz QQCLZWDOOFPQMK-ATKRNPRHSA-N 2 0 371.569 3.178 20 0 FGADRP C[C@H]1CCN(Cc2ccnn2-c2cc[nH+]cc2)C[C@H]1C(=O)OC(C)(C)C ZINC000597153587 506801170 /nfs/dbraw/zinc/80/11/70/506801170.db2.gz HANMUBAGACWBNK-MAUKXSAKSA-N 2 0 356.470 3.067 20 0 FGADRP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+]CCSCc3ccccc3)cc2)C1 ZINC000597186130 506822437 /nfs/dbraw/zinc/82/24/37/506822437.db2.gz FJSPDYQIHKBLTI-OAQYLSRUSA-N 2 0 356.535 3.276 20 0 FGADRP CCC(CC)(CNC(=O)N[C@@H]1CC12CC[NH2+]CC2)[NH2+][C@H](C)c1ccccc1 ZINC000612971391 506845666 /nfs/dbraw/zinc/84/56/66/506845666.db2.gz OKPVSWGKTKZWNW-IEBWSBKVSA-N 2 0 372.557 3.337 20 0 FGADRP C[C@H](C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2)[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000583565148 506851688 /nfs/dbraw/zinc/85/16/88/506851688.db2.gz SJEAYWKSAJPRDV-DEVSCXNHSA-N 2 0 369.553 3.063 20 0 FGADRP O=C([C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000593963853 506853997 /nfs/dbraw/zinc/85/39/97/506853997.db2.gz FCAWMEJRTLRMDG-PZJWPPBQSA-N 2 0 373.516 3.125 20 0 FGADRP CC(C)[NH2+][C@H]1CCCN(C(=O)[C@H]2CCC[N@H+](Cc3cccc(F)c3)C2)C1 ZINC000604786643 506942559 /nfs/dbraw/zinc/94/25/59/506942559.db2.gz FRTYDTXKBRCWNC-ICSRJNTNSA-N 2 0 361.505 3.027 20 0 FGADRP C[NH+](C)CC[C@H](NC(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1)C(C)(C)C ZINC000604789019 506943084 /nfs/dbraw/zinc/94/30/84/506943084.db2.gz XFEHLSIWARLKAU-PMACEKPBSA-N 2 0 374.573 3.489 20 0 FGADRP CCN(C(=O)NC[C@@H]1CCC[C@H]([NH3+])C1)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000583802319 506982494 /nfs/dbraw/zinc/98/24/94/506982494.db2.gz QKSKCKBTBVCRDT-RMVXJAJNSA-N 2 0 372.557 3.371 20 0 FGADRP C[C@@H]([NH3+])[C@H]1CCCN(C(=O)NCc2ccccc2C[N@@H+]2CCC[C@@H](C)C2)C1 ZINC000583920675 507051357 /nfs/dbraw/zinc/05/13/57/507051357.db2.gz XNUZMVHHNUEFTQ-GGPKGHCWSA-N 2 0 372.557 3.187 20 0 FGADRP CCCC[N@H+](C)CC1CCN(C(=O)[C@@H](C)[NH+]2CCc3ccccc3C2)CC1 ZINC000605182369 507104874 /nfs/dbraw/zinc/10/48/74/507104874.db2.gz OCQLHVBBIIRLFY-LJQANCHMSA-N 2 0 371.569 3.404 20 0 FGADRP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC000591152298 507134681 /nfs/dbraw/zinc/13/46/81/507134681.db2.gz JOZSUVVZZDNSOQ-SFTDATJTSA-N 2 0 357.542 3.450 20 0 FGADRP CC[NH+](CC)CCOc1ccc(NC(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)cc1 ZINC000605339827 507153801 /nfs/dbraw/zinc/15/38/01/507153801.db2.gz QMJCUSWCLSNLCC-VQTJNVASSA-N 2 0 374.529 3.156 20 0 FGADRP CC[NH+](CC)Cc1cccc(CNC(=O)NCC[N@H+](C)C2CCCC2)c1 ZINC000591407035 507238372 /nfs/dbraw/zinc/23/83/72/507238372.db2.gz YHWUFWZUVMFHPJ-UHFFFAOYSA-N 2 0 360.546 3.202 20 0 FGADRP CCCN(C(=O)N[C@H](C)C[C@@H](C)[NH3+])[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000584290127 507261870 /nfs/dbraw/zinc/26/18/70/507261870.db2.gz FBIWUWLWGZUMND-QWFCFKBJSA-N 2 0 360.546 3.198 20 0 FGADRP CC(C)[C@@H](CNC(=O)NCc1cccc(C[NH+]2CCCC2)c1)[NH+]1CCCC1 ZINC000591556747 507289317 /nfs/dbraw/zinc/28/93/17/507289317.db2.gz OBZLGEHPSJPERI-OAQYLSRUSA-N 2 0 372.557 3.202 20 0 FGADRP C[C@H](CNC(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1)[N@H+](C)C1CC1 ZINC000591554111 507290128 /nfs/dbraw/zinc/29/01/28/507290128.db2.gz PITHKYITDSOJFQ-GOSISDBHSA-N 2 0 372.557 3.200 20 0 FGADRP CC(C)[N@@H+]1CC[C@H](CNC(=O)NCC(C)(C)[NH2+][C@H](C)c2ccccc2)C1 ZINC000598175402 507296341 /nfs/dbraw/zinc/29/63/41/507296341.db2.gz GEIRWNHWLVLMRB-QZTJIDSGSA-N 2 0 360.546 3.145 20 0 FGADRP C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)Nc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000584458138 507356725 /nfs/dbraw/zinc/35/67/25/507356725.db2.gz QTRLRPCETHHXBW-HOTGVXAUSA-N 2 0 358.530 3.210 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(C[NH2+]C[C@@H]2CNc3ccnn3C2)cc1 ZINC000595140665 507407160 /nfs/dbraw/zinc/40/71/60/507407160.db2.gz LZUWJAUUPFBRPP-YLJYHZDGSA-N 2 0 353.514 3.089 20 0 FGADRP C[N@H+](Cc1ccccc1C[NH2+]C[C@@H]1CNc2ccnn2C1)C1CCCCC1 ZINC000595151515 507413143 /nfs/dbraw/zinc/41/31/43/507413143.db2.gz NUMYRSSEERFMAI-GOSISDBHSA-N 2 0 367.541 3.479 20 0 FGADRP CN(C(=O)c1ccc(CC[NH+](C)C)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000584663721 507437565 /nfs/dbraw/zinc/43/75/65/507437565.db2.gz KBSCJTPUZNYWLH-JOCHJYFZSA-N 2 0 365.521 3.137 20 0 FGADRP C[C@H](NC(=O)NCC1([NH+]2CCCCC2)CCCCC1)C1CC[NH+](C)CC1 ZINC000606620441 507455045 /nfs/dbraw/zinc/45/50/45/507455045.db2.gz ZDZXQUFWBIGJNR-SFHVURJKSA-N 2 0 364.578 3.205 20 0 FGADRP C[C@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)NCC(C)(C)[NH+](C)C ZINC000595381562 507475908 /nfs/dbraw/zinc/47/59/08/507475908.db2.gz LJGYPJYMASMKDO-KRWDZBQOSA-N 2 0 361.530 3.010 20 0 FGADRP C[C@H](NC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1)C1CC[NH+](C)CC1 ZINC000606700305 507487224 /nfs/dbraw/zinc/48/72/24/507487224.db2.gz HQDFVDPYILKTCM-RBUKOAKNSA-N 2 0 364.578 3.014 20 0 FGADRP CC(C)[C@H](CNC(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1)[NH+]1CCCCCC1 ZINC000592481405 507673722 /nfs/dbraw/zinc/67/37/22/507673722.db2.gz IOTUJZQKMSCGJM-ICSRJNTNSA-N 2 0 364.578 3.203 20 0 FGADRP C[NH+](C)C1CCN(CCNC(=O)CCCc2ccc(C(C)(C)C)cc2)CC1 ZINC000482012670 568229731 /nfs/dbraw/zinc/22/97/31/568229731.db2.gz DULPMAFAGZZDOR-UHFFFAOYSA-N 2 0 373.585 3.449 20 0 FGADRP CC[NH+](CC)Cc1ccccc1C[NH2+]Cc1cc(-c2nn[nH]n2)cs1 ZINC000821197837 606208510 /nfs/dbraw/zinc/20/85/10/606208510.db2.gz MIRPCWKQOVQGNB-UHFFFAOYSA-N 2 0 356.499 3.060 20 0 FGADRP CC[NH+](CC)Cc1cccc(C[NH2+]Cc2cc(-c3nn[nH]n3)cs2)c1 ZINC000821197042 606211423 /nfs/dbraw/zinc/21/14/23/606211423.db2.gz FEQABMMFQIISQR-UHFFFAOYSA-N 2 0 356.499 3.060 20 0 FGADRP CC[N@H+](CCC1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1)CC(C)C ZINC000825419942 608328936 /nfs/dbraw/zinc/32/89/36/608328936.db2.gz VXNXRUVSEJOASQ-UHFFFAOYSA-N 2 0 370.545 3.447 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1CCC[NH2+][C@H]1CCCc2cc(-c3nn[nH]n3)ccc21 ZINC000824936008 608496781 /nfs/dbraw/zinc/49/67/81/608496781.db2.gz DMHRKGMDXZNHSU-BEFAXECRSA-N 2 0 354.502 3.098 20 0 FGADRP C[C@H](c1ccc(-c2nn[nH]n2)cc1)[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000824763021 608523214 /nfs/dbraw/zinc/52/32/14/608523214.db2.gz JMCVXEIVJNLKGA-OAHLLOKOSA-N 2 0 350.470 3.121 20 0 FGADRP C[C@H]([NH2+]CCCCC[NH+]1CCCCC1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824584810 609335121 /nfs/dbraw/zinc/33/51/21/609335121.db2.gz HUCJNXRVULRMQT-HNNXBMFYSA-N 2 0 360.481 3.313 20 0 FGADRP C[C@@H]([NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000824529151 609350439 /nfs/dbraw/zinc/35/04/39/609350439.db2.gz FEEDIRKUAZUDSQ-HDMKZQKVSA-N 2 0 354.502 3.170 20 0 FGADRP Brc1cccc(OCC[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000037917904 695755738 /nfs/dbraw/zinc/75/57/38/695755738.db2.gz PHMKQTVZZCYKGA-YOEHRIQHSA-N 2 0 353.304 3.292 20 0 FGADRP C[N@H+](CC[C@@H]1CCCC[NH+]1C)C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000075859913 700219313 /nfs/dbraw/zinc/21/93/13/700219313.db2.gz KCAYHOSZXFBXSY-MSOLQXFVSA-N 2 0 353.551 3.440 20 0 FGADRP CCC[NH+]1CCC(C[NH2+][C@@H](C)CC(=O)Nc2cccnc2Cl)CC1 ZINC000122643428 700693300 /nfs/dbraw/zinc/69/33/00/700693300.db2.gz OHIYLIWESZDLNG-AWEZNQCLSA-N 2 0 352.910 3.164 20 0 FGADRP O=C(CC[NH+]1CCN(c2cc[nH+]cc2)CC1)Nc1ccc(Cl)cc1F ZINC000125267599 700733654 /nfs/dbraw/zinc/73/36/54/700733654.db2.gz PNIUYZMSVAUTMR-UHFFFAOYSA-N 2 0 362.836 3.025 20 0 FGADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+]CC2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000132831631 700831998 /nfs/dbraw/zinc/83/19/98/700831998.db2.gz PBFBRDXGPWSNMB-GOSISDBHSA-N 2 0 353.551 3.344 20 0 FGADRP CCC[NH+]1CCC([NH2+][C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)CC1 ZINC000167906472 705348477 /nfs/dbraw/zinc/34/84/77/705348477.db2.gz PWTUSFDJMVUUBD-IBGZPJMESA-N 2 0 365.949 3.474 20 0 FGADRP CCC[NH+]1CCC(C[NH2+][C@@H]2CCC[C@H]2CNC(=O)OC(C)(C)C)CC1 ZINC000180448390 705740318 /nfs/dbraw/zinc/74/03/18/705740318.db2.gz VVBRRGXCOHADOA-ZWKOTPCHSA-N 2 0 353.551 3.391 20 0 FGADRP C[NH+](C)CC1CCC([NH2+][C@H]2CCCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000183625775 705894351 /nfs/dbraw/zinc/89/43/51/705894351.db2.gz QWQHZLRUOZXOJK-ADKAHSJRSA-N 2 0 353.551 3.486 20 0 FGADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H](C)c1ccc(Br)cc1O ZINC000185671410 712699679 /nfs/dbraw/zinc/69/96/79/712699679.db2.gz KLBZQWPYANTPRT-JSGCOSHPSA-N 2 0 359.308 3.162 20 0 FGADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H](C)c1cc(Br)cc(C)c1O ZINC000187289274 712738092 /nfs/dbraw/zinc/73/80/92/712738092.db2.gz UZGUOGJMOOEBBO-DZGCQCFKSA-N 2 0 373.335 3.471 20 0 FGADRP C[N@@H+]1CCCN(CCC[NH2+]Cc2cc(Cl)cc(C(F)(F)F)c2)CC1 ZINC000189154318 712787920 /nfs/dbraw/zinc/78/79/20/712787920.db2.gz CHXIQZAYLJORFG-UHFFFAOYSA-N 2 0 363.855 3.476 20 0 FGADRP CC(C)(C)OC(=O)N1CC[C@](C)(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)C1 ZINC000195174212 713547973 /nfs/dbraw/zinc/54/79/73/713547973.db2.gz PGRDKAYGDWWBKW-YLJYHZDGSA-N 2 0 351.535 3.051 20 0 FGADRP C[C@@H](CNC(=O)NCCC[N@H+](C)C1CCCCC1)C[NH+]1CCCCC1 ZINC000195551784 713559121 /nfs/dbraw/zinc/55/91/21/713559121.db2.gz NUNZELMINCQXLH-SFHVURJKSA-N 2 0 352.567 3.062 20 0 FGADRP CCC(CC)(C[NH3+])C(=O)NC[C@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000236674498 713582178 /nfs/dbraw/zinc/58/21/78/713582178.db2.gz JNZZCJWEAKBMSL-MRXNPFEDSA-N 2 0 351.560 3.402 20 0 FGADRP O=C(CCC1CC[NH2+]CC1)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000237670070 713595578 /nfs/dbraw/zinc/59/55/78/713595578.db2.gz WSLZSGLQEWOHMB-UHFFFAOYSA-N 2 0 363.933 3.200 20 0 FGADRP CC(C)(C)OC(=O)N1CCC[C@@](C)(C[NH2+]C2CCN(C3CC3)CC2)C1 ZINC000310763990 713800735 /nfs/dbraw/zinc/80/07/35/713800735.db2.gz NGVUITXLRGUKEA-FQEVSTJZSA-N 2 0 351.535 3.240 20 0 FGADRP C[C@H]([NH2+]C[C@H](O)COc1c(Cl)cccc1Cl)C1CC[NH+](C)CC1 ZINC000396460438 713991425 /nfs/dbraw/zinc/99/14/25/713991425.db2.gz POZHKRVGRIVAQS-JSGCOSHPSA-N 2 0 361.313 3.053 20 0 FGADRP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1)C1CCC(C(F)(F)F)CC1 ZINC000474729684 714083688 /nfs/dbraw/zinc/08/36/88/714083688.db2.gz PHHIXAZNOAORCZ-ZGRYLRDCSA-N 2 0 350.469 3.426 20 0 FGADRP CCCC[NH+]1CCC(NC(=O)NC[C@@]2([NH+](C)C)CCC[C@@H](C)C2)CC1 ZINC000523335743 714228778 /nfs/dbraw/zinc/22/87/78/714228778.db2.gz JTYONCPCKXQNBI-YLJYHZDGSA-N 2 0 352.567 3.061 20 0 FGADRP Brc1cccc2c1OCCC[C@@H]2[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000643534974 718038188 /nfs/dbraw/zinc/03/81/88/718038188.db2.gz GWOADBVABZOAHP-LSDHHAIUSA-N 2 0 351.288 3.395 20 0 FGADRP C[N@@H+]1CC[C@@H]([NH2+][C@H]2CCN(c3ccccc3OC(F)F)C2)CC1(C)C ZINC000623422993 715333216 /nfs/dbraw/zinc/33/32/16/715333216.db2.gz PFTBWVQDOKVHBP-CABCVRRESA-N 2 0 353.457 3.329 20 0 FGADRP COc1ccc(Cl)cc1NC(=O)CC[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623439040 715336553 /nfs/dbraw/zinc/33/65/53/715336553.db2.gz UFSBJGXPEMCVJH-CQSZACIVSA-N 2 0 353.894 3.140 20 0 FGADRP Cc1csc([C@@H](C)[NH2+]CCCN2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000623860757 715416968 /nfs/dbraw/zinc/41/69/68/715416968.db2.gz DQTCXOLFUGYRFM-GOSISDBHSA-N 2 0 358.555 3.310 20 0 FGADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@@H]1CCCc2c3cc(Cl)ccc3[nH]c21 ZINC000623889919 715425625 /nfs/dbraw/zinc/42/56/25/715425625.db2.gz ZMPOLKIJMZLKGG-IFXJQAMLSA-N 2 0 360.933 3.424 20 0 FGADRP C[NH+]1CCC(N2CC[C@@H]([NH2+][C@@H]3CCc4cc(F)c(Cl)cc43)C2)CC1 ZINC000623892987 715426287 /nfs/dbraw/zinc/42/62/87/715426287.db2.gz BKOBYRDEROENER-AUUYWEPGSA-N 2 0 351.897 3.225 20 0 FGADRP CC[N@H+](CC(=O)N(C)Cc1cccs1)Cc1ccc(C[NH+](C)C)cc1 ZINC000626061522 715841638 /nfs/dbraw/zinc/84/16/38/715841638.db2.gz MYIJVDNJVSTUFQ-UHFFFAOYSA-N 2 0 359.539 3.290 20 0 FGADRP C[NH+](C)C[C@H](NC(=O)N[C@@H]1CCC[C@@H]([NH3+])C1)c1ccc(Cl)c(Cl)c1 ZINC000627087221 715994717 /nfs/dbraw/zinc/99/47/17/715994717.db2.gz HSGCRDMDGYQIMS-IOASZLSFSA-N 2 0 373.328 3.165 20 0 FGADRP Cc1cc(Br)ccc1[C@@H]1CCC[N@@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000629580383 716311092 /nfs/dbraw/zinc/31/10/92/716311092.db2.gz ABYNPRIABRRJIV-RDJZCZTQSA-N 2 0 365.315 3.415 20 0 FGADRP O[C@@H](C[NH2+]C[C@H]1CCN1C1CCCCC1)COc1ccccc1Cl ZINC000629609148 716321144 /nfs/dbraw/zinc/32/11/44/716321144.db2.gz WUYOTANXHZEVCN-SJORKVTESA-N 2 0 352.906 3.076 20 0 FGADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H](CCO)c1ccc(Cl)c(F)c1 ZINC000635002879 717139167 /nfs/dbraw/zinc/13/91/67/717139167.db2.gz AUNMVUDOFGZTOZ-SGTLLEGYSA-N 2 0 351.853 3.416 20 0 FGADRP [NH3+]C1(CNC(=O)c2cscc2Cl)CC[NH+](Cc2ccccc2)CC1 ZINC000638344370 717437533 /nfs/dbraw/zinc/43/75/33/717437533.db2.gz PQDIGZCJPXIBCS-UHFFFAOYSA-N 2 0 363.914 3.125 20 0 FGADRP CO[C@@H](C[NH2+]CC1CC[NH+](Cc2ccccc2Cl)CC1)[C@H]1CCOC1 ZINC000638529826 717454658 /nfs/dbraw/zinc/45/46/58/717454658.db2.gz FLUMVLDTYSUQJI-ICSRJNTNSA-N 2 0 366.933 3.193 20 0 FGADRP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)CS1 ZINC000639210941 717532617 /nfs/dbraw/zinc/53/26/17/717532617.db2.gz PQEDONOQAMLYFQ-MISYRCLQSA-N 2 0 360.567 3.399 20 0 FGADRP C[C@H]([NH2+][C@H]1CC[C@@](O)(C(F)(F)F)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000644549932 718122410 /nfs/dbraw/zinc/12/24/10/718122410.db2.gz BMHQLBWFNUFOOH-QRTARXTBSA-N 2 0 360.420 3.124 20 0 FGADRP C[NH2+][C@H](CC(C)(C)C)C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000645808376 718243086 /nfs/dbraw/zinc/24/30/86/718243086.db2.gz MNVPEIFVECKNLA-DOTOQJQBSA-N 2 0 351.560 3.101 20 0 FGADRP CC(C)[NH+]1CCC(NC(=O)C[NH2+]C2(c3cccc(Cl)c3)CCC2)CC1 ZINC000646095012 718262632 /nfs/dbraw/zinc/26/26/32/718262632.db2.gz BOVXAJBIQVPJFI-UHFFFAOYSA-N 2 0 363.933 3.298 20 0 FGADRP C[C@H](c1ccc(OC(F)(F)F)cc1)[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646103879 718264119 /nfs/dbraw/zinc/26/41/19/718264119.db2.gz RTEKXRHUUHPYHP-CQSZACIVSA-N 2 0 358.404 3.443 20 0 FGADRP Brc1ccccc1N1CC[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)C1 ZINC000647784189 718377777 /nfs/dbraw/zinc/37/77/77/718377777.db2.gz LUPBWTOFGMXNSB-FPCVCCKLSA-N 2 0 364.331 3.006 20 0 FGADRP CSc1ccccc1NC(=O)CC[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647976442 718391439 /nfs/dbraw/zinc/39/14/39/718391439.db2.gz ONVPCKPZNIULBF-IAGOWNOFSA-N 2 0 361.555 3.449 20 0 FGADRP CN(Cc1ccc(Cl)s1)C(=O)C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647976291 718391471 /nfs/dbraw/zinc/39/14/71/718391471.db2.gz MOTVEDLHFCAIAU-GJZGRUSLSA-N 2 0 369.962 3.072 20 0 FGADRP Cc1ccc([C@H](CNC(=O)[C@H]([NH3+])c2cccc(Cl)c2)[NH+]2CCCC2)o1 ZINC000649317630 718503895 /nfs/dbraw/zinc/50/38/95/718503895.db2.gz HJWZRWQHXMDEED-FUHWJXTLSA-N 2 0 361.873 3.195 20 0 FGADRP C[C@@H](c1nc2ccccc2s1)N1CC[NH+](CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000649414808 718512783 /nfs/dbraw/zinc/51/27/83/718512783.db2.gz ZAIGSLGZMWQSTL-IRXDYDNUSA-N 2 0 358.555 3.365 20 0 FGADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@H+](Cc3ccc(F)c(Br)c3)C2)C1 ZINC000650705741 718716815 /nfs/dbraw/zinc/71/68/15/718716815.db2.gz UGWWFEUQURYYJI-VBQJREDUSA-N 2 0 371.294 3.307 20 0 FGADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@H+](Cc3cccc(Br)c3)C2)C1 ZINC000650705611 718717073 /nfs/dbraw/zinc/71/70/73/718717073.db2.gz NSDQFDOPHYXUJQ-USXIJHARSA-N 2 0 353.304 3.167 20 0 FGADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@H+](Cc3ccc(F)cc3Br)C2)C1 ZINC000650707861 718717620 /nfs/dbraw/zinc/71/76/20/718717620.db2.gz OKPQTFAZLZKNJV-UNEWFSDZSA-N 2 0 371.294 3.307 20 0 FGADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2Cc2cc(Br)cs2)C1 ZINC000650722095 718720213 /nfs/dbraw/zinc/72/02/13/718720213.db2.gz KPAGCEJWMYUJFD-YUELXQCFSA-N 2 0 359.333 3.371 20 0 FGADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@@H+]2Cc2cnc(-c3ccccn3)s2)C1 ZINC000650723164 718720790 /nfs/dbraw/zinc/72/07/90/718720790.db2.gz IETRBIBSCDKGNS-FHLIZLRMSA-N 2 0 358.511 3.066 20 0 FGADRP COc1cc(C[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)ccc1SC ZINC000650723676 718721301 /nfs/dbraw/zinc/72/13/01/718721301.db2.gz RPFFIEOXYNZTKP-ZACQAIPSSA-N 2 0 350.528 3.278 20 0 FGADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@@H+]2CCCOc2cccc(Cl)c2)C1 ZINC000652362254 718936804 /nfs/dbraw/zinc/93/68/04/718936804.db2.gz BKSSGFALQXJPCT-BHIYHBOVSA-N 2 0 352.906 3.470 20 0 FGADRP CN(C(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1)C1CC[NH2+]CC1 ZINC000652612817 718966048 /nfs/dbraw/zinc/96/60/48/718966048.db2.gz CCLDPKPOSZXIIG-UHFFFAOYSA-N 2 0 362.543 3.090 20 0 FGADRP CC1CC[NH+]([C@H](CNC(=O)[C@H]2CC[C@H](C3CC3)[NH2+]2)c2cccs2)CC1 ZINC000653106293 719013143 /nfs/dbraw/zinc/01/31/43/719013143.db2.gz ZSOINPWIJARCAD-KZNAEPCWSA-N 2 0 361.555 3.168 20 0 FGADRP c1csc([C@H](CNC2CC[NH+](C[C@H]3CCCO3)CC2)[NH+]2CCCC2)c1 ZINC000655680756 719324891 /nfs/dbraw/zinc/32/48/91/719324891.db2.gz RNGLQTLQXVJJEO-MOPGFXCFSA-N 2 0 363.571 3.118 20 0 FGADRP CC[N@H+](CCCNC1CC[NH+](C[C@H]2CCCO2)CC1)C1CCCCC1 ZINC000655792741 719340329 /nfs/dbraw/zinc/34/03/29/719340329.db2.gz OFKLYDMECVQVSX-OAQYLSRUSA-N 2 0 351.579 3.264 20 0 FGADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2nc(-c3ccc(Br)cc3)c[nH]2)C1 ZINC000655827023 719344861 /nfs/dbraw/zinc/34/48/61/719344861.db2.gz NKUZEMQBKBPJHU-JNSHFYNHSA-N 2 0 363.303 3.269 20 0 FGADRP C[NH+]1CCC(C[NH2+]Cc2cc3ccncc3s2)(N2CCCCC2)CC1 ZINC000657376953 719635679 /nfs/dbraw/zinc/63/56/79/719635679.db2.gz LRAMBDRIGDKSMG-UHFFFAOYSA-N 2 0 358.555 3.336 20 0 FGADRP C[C@H]1CCC[C@H](C[NH2+]Cc2c(Cl)cccc2N2CC[NH+](C)CC2)O1 ZINC000657668311 719691678 /nfs/dbraw/zinc/69/16/78/719691678.db2.gz UAVNPYRJGNSRLU-JKSUJKDBSA-N 2 0 351.922 3.139 20 0 FGADRP COc1ccc2c(c1)[C@H]([NH2+][C@@H](C)CN(C)CCC[NH+](C)C)CCS2 ZINC000658108037 719757642 /nfs/dbraw/zinc/75/76/42/719757642.db2.gz OWRJKOHSEJUAHX-MAUKXSAKSA-N 2 0 351.560 3.094 20 0 FGADRP C[C@@H]1C[N@H+](CCSc2cccc(Cl)c2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000660153726 719998191 /nfs/dbraw/zinc/99/81/91/719998191.db2.gz HEMAKDPUEBPUKJ-APWZRJJASA-N 2 0 367.990 3.390 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C)c1ccsc1 ZINC000660338950 720032994 /nfs/dbraw/zinc/03/29/94/720032994.db2.gz NSTJUPUPRLRRHR-IRXDYDNUSA-N 2 0 366.575 3.303 20 0 FGADRP C[N@@H+]1CC[C@]2(C1)CCC[NH+](C[C@H](O)Cc1ccc(C(F)(F)F)cc1)C2 ZINC000660656950 720092814 /nfs/dbraw/zinc/09/28/14/720092814.db2.gz CHMMIDRHWHQTQJ-MSOLQXFVSA-N 2 0 356.432 3.027 20 0 FGADRP C[NH+](C)[C@@H](CNC(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C)c1ccc(Cl)cc1 ZINC000661404272 720243016 /nfs/dbraw/zinc/24/30/16/720243016.db2.gz VZSIHZBZVOVMLG-SJORKVTESA-N 2 0 366.937 3.115 20 0 FGADRP CCC[N@@H+]1CC[C@H](NC(=O)N2CCC(CCC[NH+](CC)CC)CC2)C1 ZINC000661948279 720348125 /nfs/dbraw/zinc/34/81/25/720348125.db2.gz HJKDNKSAAKCFGH-IBGZPJMESA-N 2 0 352.567 3.014 20 0 FGADRP Brc1ccc([C@H]2CCC[N@@H+]2C[C@@H]2CCC3(C[NH2+]C3)O2)cc1 ZINC000662252793 720405188 /nfs/dbraw/zinc/40/51/88/720405188.db2.gz OXAOOBKRKAATGA-JKSUJKDBSA-N 2 0 351.288 3.107 20 0 FGADRP Cc1cc([C@@H]2CCC[N@@H+]2C[C@H]2CCC3(C[NH2+]C3)O2)ccc1Br ZINC000662281606 720409360 /nfs/dbraw/zinc/40/93/60/720409360.db2.gz YOSNHMFEGNROKB-WBVHZDCISA-N 2 0 365.315 3.415 20 0 FGADRP O=C(CC[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1)Nc1cc(F)cc(F)c1 ZINC000662293331 720411142 /nfs/dbraw/zinc/41/11/42/720411142.db2.gz QMTGXDMZVMQFNF-HNNXBMFYSA-N 2 0 351.441 3.005 20 0 FGADRP O=C1[C@@H]([N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)CCN1c1ccccc1Cl ZINC000662295209 720411575 /nfs/dbraw/zinc/41/15/75/720411575.db2.gz FYTHBKYEAUEELA-LPHOPBHVSA-N 2 0 361.917 3.157 20 0 FGADRP C[N@@H+](CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)C[C@@H]1CC1(C)C ZINC000662345819 720417545 /nfs/dbraw/zinc/41/75/45/720417545.db2.gz MDTVMZQWSORUPR-KRWDZBQOSA-N 2 0 361.555 3.152 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)c1cccc2c1CC[NH2+]C2)c1ccsc1 ZINC000662679429 720451902 /nfs/dbraw/zinc/45/19/02/720451902.db2.gz OOXJGLJWIOGNIF-LJQANCHMSA-N 2 0 357.523 3.207 20 0 FGADRP Cc1c[nH+]c(N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)cc1N ZINC001164842331 720708547 /nfs/dbraw/zinc/70/85/47/720708547.db2.gz YISWPZQLVSZPJH-LJQANCHMSA-N 2 0 366.509 3.232 20 0 FGADRP CC[C@@H]([NH2+]C1CCN(C(=O)CCC[NH2+]C)CC1)c1ccc(Cl)cc1 ZINC000665285187 720749926 /nfs/dbraw/zinc/74/99/26/720749926.db2.gz GDYHDNRRBVOIGH-GOSISDBHSA-N 2 0 351.922 3.371 20 0 FGADRP CC[C@H]([NH2+]C1CCN(C(=O)CCC[NH2+]C)CC1)c1cccc(Cl)c1 ZINC000665285277 720750061 /nfs/dbraw/zinc/75/00/61/720750061.db2.gz ILTXKURPKUGNML-SFHVURJKSA-N 2 0 351.922 3.371 20 0 FGADRP C[NH2+]CCCC(=O)N1CCC([NH2+][C@@H](C)[C@H](C)c2ccc(Cl)cc2)CC1 ZINC000665288911 720750426 /nfs/dbraw/zinc/75/04/26/720750426.db2.gz AQAUFFNCZTVWML-HOTGVXAUSA-N 2 0 365.949 3.412 20 0 FGADRP Fc1cncc(Br)c1CN1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000667708366 721161507 /nfs/dbraw/zinc/16/15/07/721161507.db2.gz AFEUKALRTQYTTB-PXAZEXFGSA-N 2 0 368.294 3.432 20 0 FGADRP Cc1cc2[nH]ccc2c(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)[nH+]1 ZINC001164903477 721539091 /nfs/dbraw/zinc/53/90/91/721539091.db2.gz CZPCDXRIFPIEJE-FUHWJXTLSA-N 2 0 366.440 3.352 20 0 FGADRP Cc1cc2ccccc2c(N2CCCC23CC[NH+](CC(=O)N(C)C)CC3)[nH+]1 ZINC001165009453 721741828 /nfs/dbraw/zinc/74/18/28/721741828.db2.gz DMDLMWPVVBYQAM-UHFFFAOYSA-N 2 0 366.509 3.066 20 0 FGADRP C[N@H+](Cc1ccccc1C(F)(F)F)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000677801665 721916532 /nfs/dbraw/zinc/91/65/32/721916532.db2.gz ZDDWMPPQZFBAGH-KRWDZBQOSA-N 2 0 355.448 3.306 20 0 FGADRP CC(C)[C@@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccc(F)c(F)c1 ZINC000679771568 722047446 /nfs/dbraw/zinc/04/74/46/722047446.db2.gz SXHGWKYSIHHCPS-OXJNMPFZSA-N 2 0 351.485 3.420 20 0 FGADRP C[C@@H]([NH2+][C@@H](CCO)c1ccccc1Br)C1CC[NH+](C)CC1 ZINC000679773015 722047531 /nfs/dbraw/zinc/04/75/31/722047531.db2.gz QFBDQVJAHHKPPS-DYVFJYSZSA-N 2 0 355.320 3.193 20 0 FGADRP C[N@@H+]1CCN(CC[NH2+]Cc2c(Cl)cccc2OC(F)F)CC1(C)C ZINC000685043657 722372646 /nfs/dbraw/zinc/37/26/46/722372646.db2.gz YOQXXEHYNVUTLX-UHFFFAOYSA-N 2 0 361.864 3.057 20 0 FGADRP C[C@H](C[C@H]1CCCN1C(=O)OC(C)(C)C)[NH2+]C[C@H]1CCCC[N@H+](C)C1 ZINC000700802282 722409824 /nfs/dbraw/zinc/40/98/24/722409824.db2.gz HJQNIIVBGHLZJY-KZNAEPCWSA-N 2 0 353.551 3.486 20 0 FGADRP C[N@@H+]1CCCC[C@H](C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)N(C(=O)OC(C)(C)C)C3)C1 ZINC000709458760 722413196 /nfs/dbraw/zinc/41/31/96/722413196.db2.gz OFBJUYLKQVHILF-XDNAFOTISA-N 2 0 351.535 3.096 20 0 FGADRP COc1nsc(C[NH2+]C2CCC(C)([NH+](C)C)CC2)c1Br ZINC000715582435 722415924 /nfs/dbraw/zinc/41/59/24/722415924.db2.gz FHGQJPQCIVKJGG-UHFFFAOYSA-N 2 0 362.337 3.267 20 0 FGADRP C[NH+](C)C1CCC([NH2+]CCC2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000715574558 722415958 /nfs/dbraw/zinc/41/59/58/722415958.db2.gz YYLJJGVPBUJMEH-UHFFFAOYSA-N 2 0 353.551 3.486 20 0 FGADRP C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000721042115 722419805 /nfs/dbraw/zinc/41/98/05/722419805.db2.gz ORMWRZSYUNNONB-VUCRHFMTSA-N 2 0 351.535 3.094 20 0 FGADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)/C=C\c1ccccc1Cl ZINC000747225827 722637313 /nfs/dbraw/zinc/63/73/13/722637313.db2.gz AAYAHIRZSOZPBK-QXMHVHEDSA-N 2 0 351.922 3.085 20 0 FGADRP CC(C)[NH2+]C1CCN(C(=O)NCCCCCCC[NH+]2CCCC2)CC1 ZINC000747957107 722669288 /nfs/dbraw/zinc/66/92/88/722669288.db2.gz SDUXMGLYJNVLLZ-UHFFFAOYSA-N 2 0 352.567 3.205 20 0 FGADRP CC[NH+](CC)CCC[N@@H+]1C[C@@H]2CCC[C@H](NC(=O)OC(C)(C)C)[C@H]2C1 ZINC000755047060 722949669 /nfs/dbraw/zinc/94/96/69/722949669.db2.gz DRQDVXXRERREQB-BZSNNMDCSA-N 2 0 353.551 3.344 20 0 FGADRP CC[NH+]1CCN(c2ccc(C[NH2+][C@H](C)c3ccc(Cl)nc3)cn2)CC1 ZINC000760159549 723040538 /nfs/dbraw/zinc/04/05/38/723040538.db2.gz YDCWCOJIEDUKJP-OAHLLOKOSA-N 2 0 359.905 3.123 20 0 FGADRP C[NH+](C)CCOc1ccc(C[NH2+]C[C@@](C)(O)c2ccccc2Cl)cc1 ZINC000764983881 723465906 /nfs/dbraw/zinc/46/59/06/723465906.db2.gz QWOLIGBKVJWBCA-HXUWFJFHSA-N 2 0 362.901 3.278 20 0 FGADRP C[C@H](NC1CC([NH+]2CCCCC2)C1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000794836015 723548461 /nfs/dbraw/zinc/54/84/61/723548461.db2.gz LMJOOVMEQIYFHJ-JEYLPNPQSA-N 2 0 372.481 3.350 20 0 FGADRP CC[N@@H+]1C[C@H](C)N(C(=O)NCCCCCCC[NH+]2CCCC2)C[C@H]1C ZINC000766251753 723564598 /nfs/dbraw/zinc/56/45/98/723564598.db2.gz FIEUNJIRSBNXLV-MOPGFXCFSA-N 2 0 352.567 3.157 20 0 FGADRP CC(C)COC(=O)N1CCC([NH2+]CCC[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000796692976 723650436 /nfs/dbraw/zinc/65/04/36/723650436.db2.gz CHDMXJUTXKURII-HDICACEKSA-N 2 0 353.551 3.201 20 0 FGADRP C[N@@H+]1CC[C@H]([NH2+]CCCN(C(=O)OC(C)(C)C)C2CC2)[C@H]2CCC[C@@H]21 ZINC000796748418 723653282 /nfs/dbraw/zinc/65/32/82/723653282.db2.gz LCWZVORPUABLAU-SQNIBIBYSA-N 2 0 351.535 3.238 20 0 FGADRP CC(C)(C)OC(=O)N1CCC(C[NH2+]CC2CC[NH+](C3CC3)CC2)CC1 ZINC000775021871 723953109 /nfs/dbraw/zinc/95/31/09/723953109.db2.gz AEPDEXOMGCEUFE-UHFFFAOYSA-N 2 0 351.535 3.098 20 0 FGADRP Cc1nn(C)c2nc(Cl)c(C[N@@H+]3CCCC4(CC[NH+](C)CC4)C3)cc12 ZINC000798956858 723979590 /nfs/dbraw/zinc/97/95/90/723979590.db2.gz DXVWCUQTNSSLHP-UHFFFAOYSA-N 2 0 361.921 3.238 20 0 FGADRP CC[S@@](=O)CC[NH2+][C@@H](C)c1ccc(OC)c(C[NH+]2CCCCC2)c1 ZINC000775389862 723987741 /nfs/dbraw/zinc/98/77/41/723987741.db2.gz ZIFCYGDRPLZOKV-UPCLLVRISA-N 2 0 352.544 3.100 20 0 FGADRP C[C@@H](CNC(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)cc1)[NH+]1CCCCC1 ZINC000802012050 724353784 /nfs/dbraw/zinc/35/37/84/724353784.db2.gz HQGLEZWDWRSPTC-YJBOKZPZSA-N 2 0 366.937 3.116 20 0 FGADRP C[C@@H](C[NH+]1CCC(C[NH+]2CCCCCC2)CC1)NC(=O)OC(C)(C)C ZINC000785442570 724912883 /nfs/dbraw/zinc/91/28/83/724912883.db2.gz OKMNKNNEHMALBY-KRWDZBQOSA-N 2 0 353.551 3.488 20 0 FGADRP CC1CC[NH+](C2CCC([NH2+]Cc3cc(Br)nn3C)CC2)CC1 ZINC000785502537 724917821 /nfs/dbraw/zinc/91/78/21/724917821.db2.gz HWNYSENGBNWXLS-UHFFFAOYSA-N 2 0 369.351 3.315 20 0 FGADRP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@H](C)C1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000788525036 725070415 /nfs/dbraw/zinc/07/04/15/725070415.db2.gz AYTASEJNIOJDCF-DLBZAZTESA-N 2 0 353.551 3.344 20 0 FGADRP CC[C@H](C)[NH2+][C@H](CNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1)c1ccco1 ZINC000811525720 725372626 /nfs/dbraw/zinc/37/26/26/725372626.db2.gz XXCYLRUMLVROAB-KHYOSLBOSA-N 2 0 353.482 3.038 20 0 FGADRP O[C@@H]1CCC[NH+](CCCCCCCCC[N@H+]2CCC[C@H](O)CC2)CC1 ZINC000815301197 727062546 /nfs/dbraw/zinc/06/25/46/727062546.db2.gz TZJVXKUZXWBDSF-OYRHEFFESA-N 2 0 354.579 3.411 20 0 FGADRP C[C@H](C[C@H](O)c1cccs1)[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000817912952 727287764 /nfs/dbraw/zinc/28/77/64/727287764.db2.gz LHTIZROLDXTGRJ-PYQAKABTSA-N 2 0 358.507 3.406 20 0 FGADRP COc1ccc([C@H](C)[NH2+][C@H]2CCN(C3CC[NH+](C)CC3)C2)c(Cl)c1 ZINC000818330588 727307691 /nfs/dbraw/zinc/30/76/91/727307691.db2.gz AMNDCPUQIOOUGC-GJZGRUSLSA-N 2 0 351.922 3.168 20 0 FGADRP C[C@H]1CC2(C[N@@H+]1CC(=O)Nc1ccc(SC(F)F)cc1)CC[NH2+]CC2 ZINC000818339910 727308158 /nfs/dbraw/zinc/30/81/58/727308158.db2.gz FYUBAFLMJWWVOS-ZDUSSCGKSA-N 2 0 369.481 3.404 20 0 FGADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]C[C@@H](O)c2ccccc2Br)C1 ZINC000818984269 727334551 /nfs/dbraw/zinc/33/45/51/727334551.db2.gz CLMBMUQCPQQITE-WMLDXEAASA-N 2 0 355.320 3.193 20 0 FGADRP CCCC[NH+]1CCC([NH2+]C[C@@H](O)c2ccc(F)c(Br)c2)CC1 ZINC000819043238 727341492 /nfs/dbraw/zinc/34/14/92/727341492.db2.gz QPTSYTXOHUIMAI-QGZVFWFLSA-N 2 0 373.310 3.476 20 0 FGADRP C[NH+](C)CC[C@@H]([NH2+]C[C@@H](O)c1cccc(Br)c1)C(C)(C)C ZINC000819083241 727346007 /nfs/dbraw/zinc/34/60/07/727346007.db2.gz YJVBTXKJASAUOH-HZPDHXFCSA-N 2 0 357.336 3.439 20 0 FGADRP C[NH+](C)CC1CCC([NH2+]C[C@@H](O)c2ccc(Br)cc2)CC1 ZINC000819186519 727356050 /nfs/dbraw/zinc/35/60/50/727356050.db2.gz ZMHFYJNUEXIDEC-QWFMPGPPSA-N 2 0 355.320 3.193 20 0 FGADRP C[C@H]1CC[C@H]([NH2+]C2CC[NH+](C3CCC3)CC2)CN1C(=O)OC(C)(C)C ZINC000822451638 729176447 /nfs/dbraw/zinc/17/64/47/729176447.db2.gz NMAUHSNACKHSJF-RDJZCZTQSA-N 2 0 351.535 3.381 20 0 FGADRP C[C@@H]1CC[C@H]([NH2+]C2CC([NH+]3CCCCC3)C2)CN1C(=O)OC(C)(C)C ZINC000822476132 729179351 /nfs/dbraw/zinc/17/93/51/729179351.db2.gz HTVANHWQQSCOHR-VEZWFGLTSA-N 2 0 351.535 3.381 20 0 FGADRP CC(C)[C@H](CNC(=O)OC(C)(C)C)C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000823465421 729283133 /nfs/dbraw/zinc/28/31/33/729283133.db2.gz YBRDNZXHMOTDCC-QZTJIDSGSA-N 2 0 353.551 3.201 20 0 FGADRP C[C@@H]1C[C@H](C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)CCN1C(=O)OC(C)(C)C ZINC000823666706 729297344 /nfs/dbraw/zinc/29/73/44/729297344.db2.gz QNVZJOAHEQMZCN-ZJPYXAASSA-N 2 0 351.535 3.238 20 0 FGADRP C[NH+](C)CCCC1CC[NH+](C[C@@H]2CN(C3CCCCC3)C(=O)O2)CC1 ZINC000828121626 729440233 /nfs/dbraw/zinc/44/02/33/729440233.db2.gz GBMNGZHJYIDHGA-LJQANCHMSA-N 2 0 351.535 3.194 20 0 FGADRP [NH3+]CCCCCC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1 ZINC000829148874 729461695 /nfs/dbraw/zinc/46/16/95/729461695.db2.gz ZIAGKEFCGYZWFW-SFHVURJKSA-N 2 0 351.922 3.330 20 0 FGADRP CC[C@@H]([NH2+]CC1(C)CC[NH+](C)CC1)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000834756141 729831720 /nfs/dbraw/zinc/83/17/20/729831720.db2.gz KPYHYPNLMGAAPG-SJORKVTESA-N 2 0 353.551 3.486 20 0 FGADRP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[C@H](CNC(=O)OC(C)(C)C)C2)[C@H]2CCC[C@@H]21 ZINC000834907286 729845315 /nfs/dbraw/zinc/84/53/15/729845315.db2.gz NBMYWARDLDOGPS-PNKHAZJDSA-N 2 0 351.535 3.142 20 0 FGADRP CC[C@@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000840810341 730177638 /nfs/dbraw/zinc/17/76/38/730177638.db2.gz RWAWHJQBEIXLAU-KSZLIROESA-N 2 0 353.551 3.486 20 0 FGADRP CCOC(=O)C(F)(F)[C@@H]1CC[C@H]([NH2+][C@H](CCC[NH3+])c2ccccc2)C1 ZINC000841086098 730209198 /nfs/dbraw/zinc/20/91/98/730209198.db2.gz CPVGLPPXCMHZOO-IXDOHACOSA-N 2 0 354.441 3.423 20 0 FGADRP Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C[NH+]1CCC(C[NH3+])CC1 ZINC000843047109 730574004 /nfs/dbraw/zinc/57/40/04/730574004.db2.gz GYDWEMCCUNIWSL-UHFFFAOYSA-N 2 0 350.869 3.203 20 0 FGADRP C[C@H]1C[C@H]([NH2+]C2CC[NH+](CC3CC3)CC2)CN(C(=O)OC(C)(C)C)C1 ZINC000843398377 730614348 /nfs/dbraw/zinc/61/43/48/730614348.db2.gz IBWKPPQAEBDXLF-YJBOKZPZSA-N 2 0 351.535 3.096 20 0 FGADRP CC(C)C[N@H+](C)CCC[NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000845996913 730917047 /nfs/dbraw/zinc/91/70/47/730917047.db2.gz TXRLMEOIMRQSEY-AYHJJNSGSA-N 2 0 353.551 3.484 20 0 FGADRP CCC[NH+]1CCC(CNC(=[NH2+])NCc2cccc(C(F)(F)F)c2)CC1 ZINC000849091548 731228171 /nfs/dbraw/zinc/22/81/71/731228171.db2.gz OSUFYFAAAZYBSR-UHFFFAOYSA-N 2 0 356.436 3.441 20 0 FGADRP C[N@@H+]1CC[C@]2(C1)CCC[NH+](CC1CCN(C(=O)OC(C)(C)C)CC1)C2 ZINC000852109299 731544494 /nfs/dbraw/zinc/54/44/94/731544494.db2.gz ZCQPLPDDGZHNKO-FQEVSTJZSA-N 2 0 351.535 3.051 20 0 FGADRP CC[N@@H+]1CC[C@H]([NH2+][C@H]2CCN(C(=O)OC(C)(C)C)C23CCC3)[C@H](C)C1 ZINC000858477030 732219011 /nfs/dbraw/zinc/21/90/11/732219011.db2.gz TULQIKXTZHQPEN-IKGGRYGDSA-N 2 0 351.535 3.238 20 0 FGADRP [NH3+]CCc1noc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2cccs2)n1 ZINC000863652016 732990449 /nfs/dbraw/zinc/99/04/49/732990449.db2.gz OLWYNWLUALJGEP-HZPDHXFCSA-N 2 0 354.479 3.016 20 0 FGADRP CC(C)(C)OC(=O)N[C@@H](C[NH2+]C1CC[NH+](C2CCC2)CC1)CC(F)F ZINC000865434950 733199868 /nfs/dbraw/zinc/19/98/68/733199868.db2.gz WLQDPGFWZWOHAM-CQSZACIVSA-N 2 0 361.477 3.141 20 0 FGADRP Cn1ncc2cc(C[NH2+]CC3CC[NH+](Cc4cccs4)CC3)cnc21 ZINC000865438262 733201099 /nfs/dbraw/zinc/20/10/99/733201099.db2.gz QXOFBMJTXYMEKV-UHFFFAOYSA-N 2 0 355.511 3.032 20 0 FGADRP CC(=O)N(c1nc(C[NH2+]C2CCC(C)([NH+](C)C)CC2)cs1)C1CC1 ZINC000865765845 733266115 /nfs/dbraw/zinc/26/61/15/733266115.db2.gz OSGGDMTWTPHPDV-UHFFFAOYSA-N 2 0 350.532 3.011 20 0 FGADRP C[C@@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000865819077 733275150 /nfs/dbraw/zinc/27/51/50/733275150.db2.gz BCYNYZHGTIVKPN-KBAYOESNSA-N 2 0 351.535 3.238 20 0 FGADRP CCOC(=O)c1sc(C2CC[NH+](CC[C@H]3CCC[NH2+]C3)CC2)nc1C ZINC000866715797 733387428 /nfs/dbraw/zinc/38/74/28/733387428.db2.gz VDPPZGTVINQHMZ-OAHLLOKOSA-N 2 0 365.543 3.197 20 0 FGADRP CC[NH+](CC)CCN(CC(C)C)C(=O)c1csc(C2CC[NH2+]CC2)n1 ZINC000870907999 733901050 /nfs/dbraw/zinc/90/10/50/733901050.db2.gz CSKZXUAXGGAATI-UHFFFAOYSA-N 2 0 366.575 3.050 20 0 FGADRP CC[C@H](CCC(F)(F)F)[NH2+]Cc1ccc(N2CC[NH+](CC)CC2)nc1 ZINC000872023455 735577384 /nfs/dbraw/zinc/57/73/84/735577384.db2.gz RYXDSLQVQDYHSI-MRXNPFEDSA-N 2 0 358.452 3.434 20 0 FGADRP C[C@@H](C(=O)Nc1ccccc1Br)[N@H+](C)CCCCCC[NH3+] ZINC000872155611 735596936 /nfs/dbraw/zinc/59/69/36/735596936.db2.gz WGXDRSBNYZKJAQ-ZDUSSCGKSA-N 2 0 356.308 3.227 20 0 FGADRP [NH3+][C@H](C[C@H]1CCC[N@H+](C[C@H]2CC3(CO2)CCOCC3)C1)C1CCCC1 ZINC000872157709 735597165 /nfs/dbraw/zinc/59/71/65/735597165.db2.gz PUXNJXAWCHRGSE-MISYRCLQSA-N 2 0 350.547 3.192 20 0 FGADRP c1c(C[NH2+]Cc2ccc(N3CCCCCC3)nc2)sc2c1C[NH2+]CC2 ZINC000873212489 735738657 /nfs/dbraw/zinc/73/86/57/735738657.db2.gz MARUVDBXYXXIEG-UHFFFAOYSA-N 2 0 356.539 3.459 20 0 FGADRP C[C@@H]([NH2+][C@H](C)C1CC[NH2+]CC1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000873267479 735744398 /nfs/dbraw/zinc/74/43/98/735744398.db2.gz DOMTVEKVYLSDHZ-HZPDHXFCSA-N 2 0 364.555 3.442 20 0 FGADRP CCN(CCC[NH+](CC)CC)C(=O)c1sc(C2CC[NH2+]CC2)nc1C ZINC000876886108 736157987 /nfs/dbraw/zinc/15/79/87/736157987.db2.gz UKYBDAMIVAZLAI-UHFFFAOYSA-N 2 0 366.575 3.113 20 0 FGADRP CC(C)[C@@H](C[NH2+]Cc1cc2nc(Cl)ccc2s1)N1CC[NH+](C)CC1 ZINC000876923364 736163144 /nfs/dbraw/zinc/16/31/44/736163144.db2.gz FDMHSBTXFXUMBJ-MRXNPFEDSA-N 2 0 366.962 3.311 20 0 FGADRP Cc1cc([C@@H]([NH3+])CC(=O)NCCC2CC[NH+](C(C)C)CC2)cc(Cl)n1 ZINC000877201428 736197990 /nfs/dbraw/zinc/19/79/90/736197990.db2.gz YCLXGZQGZZGNCB-KRWDZBQOSA-N 2 0 366.937 3.060 20 0 FGADRP CSC1(C[NH2+]CC2(CNC(=O)OC(C)(C)C)CCC2)CC[NH+](C)CC1 ZINC000877539508 736680978 /nfs/dbraw/zinc/68/09/78/736680978.db2.gz OCSXTICMHYWTTC-UHFFFAOYSA-N 2 0 371.591 3.098 20 0 FGADRP C[NH+]1CCC(NC(=O)C[NH2+]C(C)(C)c2ccc(Cl)c(Cl)c2)CC1 ZINC000878230489 736792375 /nfs/dbraw/zinc/79/23/75/736792375.db2.gz NFHGMAOPLKJCJQ-UHFFFAOYSA-N 2 0 358.313 3.029 20 0 FGADRP CC[C@@H]([NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1)c1sccc1Cl ZINC000883227973 737538351 /nfs/dbraw/zinc/53/83/51/737538351.db2.gz BUCURXHLHXCLIA-MRXNPFEDSA-N 2 0 371.978 3.239 20 0 FGADRP COc1ccsc1C[NH2+]CCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000883342836 737555962 /nfs/dbraw/zinc/55/59/62/737555962.db2.gz NTELITFWCTUHIC-UHFFFAOYSA-N 2 0 360.523 3.264 20 0 FGADRP C[NH+]1CCC(C[NH+]2CCC([C@@H]3c4ccc(Cl)cc4NC3=O)CC2)CC1 ZINC000891909371 739950544 /nfs/dbraw/zinc/95/05/44/739950544.db2.gz XCZOOBXUZYITKZ-LJQANCHMSA-N 2 0 361.917 3.430 20 0 FGADRP C[C@@H]1CN(Cc2ccc(C(F)F)c(F)c2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000892153151 739971761 /nfs/dbraw/zinc/97/17/61/739971761.db2.gz MGGXCYOWYYITND-RDTXWAMCSA-N 2 0 355.448 3.221 20 0 FGADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+]CCC[N@H+](C)C(C)C)C[C@@H]1C(F)(F)F ZINC000892516874 740011379 /nfs/dbraw/zinc/01/13/79/740011379.db2.gz QBKPOVNMTUJXFN-ZNMIVQPWSA-N 2 0 352.441 3.217 20 0 FGADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@H]2CCC[N@H+](CC)C2)C[C@H]1C(F)(F)F ZINC000892741446 740039549 /nfs/dbraw/zinc/03/95/49/740039549.db2.gz AXWXQVHQRIKVED-QKPAOTATSA-N 2 0 364.452 3.218 20 0 FGADRP CN1CC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000893209587 742124669 /nfs/dbraw/zinc/12/46/69/742124669.db2.gz LIBLQPIGLKCNRT-JZRNTERHSA-N 2 0 351.897 3.439 20 0 FGADRP CC(C)[N@H+](C)Cc1ccccc1C[NH2+][C@H]1CCC2(C[C@H]1F)OCCO2 ZINC000893328279 742140720 /nfs/dbraw/zinc/14/07/20/742140720.db2.gz WPJQOLHVXQOXLA-MOPGFXCFSA-N 2 0 350.478 3.250 20 0 FGADRP CC[NH+](CC)CCCC1CC[NH+]([C@H]2CCC3(C[C@H]2F)OCCO3)CC1 ZINC000893499026 742163144 /nfs/dbraw/zinc/16/31/44/742163144.db2.gz QSOLCANVWSKIOA-MOPGFXCFSA-N 2 0 356.526 3.454 20 0 FGADRP CC(C)[NH+]1CCC(N(C)C[C@@H](CC(F)F)NC(=O)OC(C)(C)C)CC1 ZINC000893918389 742213298 /nfs/dbraw/zinc/21/32/98/742213298.db2.gz CPHRSJRUPMLSLL-CQSZACIVSA-N 2 0 363.493 3.340 20 0 FGADRP [NH3+]CCCC[C@@H]([NH2+]C1CCN(CC(F)F)CC1)c1ccc(F)cc1F ZINC000902334999 743734204 /nfs/dbraw/zinc/73/42/04/743734204.db2.gz HRPPIRLVRRFNGK-QGZVFWFLSA-N 2 0 361.427 3.454 20 0 FGADRP Brc1cnn(CCCC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)c1 ZINC000903164688 743815460 /nfs/dbraw/zinc/81/54/60/743815460.db2.gz MNSVZSRMEFNOPX-ZXFUBFMLSA-N 2 0 367.335 3.173 20 0 FGADRP Clc1cccc([C@H]([NH2+]C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)c2ccccn2)c1 ZINC000903761083 743881410 /nfs/dbraw/zinc/88/14/10/743881410.db2.gz ZOUCDTZCCHLCFA-IHPCNDPISA-N 2 0 357.885 3.183 20 0 FGADRP [NH3+]CC1(c2ccccc2)CC[NH+](C[C@@H]2CCC[C@@H](C(F)(F)F)O2)CC1 ZINC000903790891 743884268 /nfs/dbraw/zinc/88/42/68/743884268.db2.gz FWSGDKVARYJYSX-IRXDYDNUSA-N 2 0 356.432 3.479 20 0 FGADRP C[C@H](C(=O)N1CCC[C@H]1c1cccs1)[NH+]1CCC(C(C)(C)C[NH3+])CC1 ZINC000903790660 743884306 /nfs/dbraw/zinc/88/43/06/743884306.db2.gz ULFLIFSJDLHKGG-WBVHZDCISA-N 2 0 363.571 3.497 20 0 FGADRP [NH3+]C[C@H]1CC2(CO1)CC[NH+](Cc1c[nH]nc1-c1cccc(Cl)c1)CC2 ZINC000904392083 743951462 /nfs/dbraw/zinc/95/14/62/743951462.db2.gz MRHXYNJPXBYKGD-QGZVFWFLSA-N 2 0 360.889 3.060 20 0 FGADRP Clc1ccc(Cl)c(-c2csc(CN3CC[NH2+]CC[NH2+]CC3)n2)c1 ZINC000904397011 743951900 /nfs/dbraw/zinc/95/19/00/743951900.db2.gz VTZQSESRKDMDBQ-UHFFFAOYSA-N 2 0 371.337 3.112 20 0 FGADRP [NH3+]Cc1ccccc1NC(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000904661924 743966784 /nfs/dbraw/zinc/96/67/84/743966784.db2.gz WGXNAZWJGDAJKI-UHFFFAOYSA-N 2 0 362.543 3.019 20 0 FGADRP COCCC[NH+]1CCC([NH2+]C[C@H](O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000905088684 743992461 /nfs/dbraw/zinc/99/24/61/743992461.db2.gz JORXMCHNZMMBBU-KRWDZBQOSA-N 2 0 361.313 3.117 20 0 FGADRP CSC1(C[NH2+]C[C@@H](O)c2ccc(Cl)c(Cl)c2)CC[NH+](C)CC1 ZINC000905263707 744007785 /nfs/dbraw/zinc/00/77/85/744007785.db2.gz ORULCRCTMVXVMK-OAHLLOKOSA-N 2 0 363.354 3.444 20 0 FGADRP CC1([NH+]2CCC2)CCC([NH2+]C[C@H](O)COCc2ccccc2Cl)CC1 ZINC000905602393 744035742 /nfs/dbraw/zinc/03/57/42/744035742.db2.gz UVMOHCOHMCTMSM-FDYSRKEFSA-N 2 0 366.933 3.214 20 0 FGADRP C[C@@](O)(C[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1)C(F)(F)F ZINC000905709355 744045679 /nfs/dbraw/zinc/04/56/79/744045679.db2.gz LNSVMNNEOVIHIJ-XMTFNYHQSA-N 2 0 356.432 3.190 20 0 FGADRP CCC(CC)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C(C)(C)C1 ZINC000940757293 762160147 /nfs/dbraw/zinc/16/01/47/762160147.db2.gz YPNRBHAUWSTQRX-IPMKNSEASA-N 2 0 351.579 3.370 20 0 FGADRP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CCC[NH+](Cc3ccsc3)CC2)CC[N@@H+]1C ZINC000948388816 762328437 /nfs/dbraw/zinc/32/84/37/762328437.db2.gz KJOVCENNXUHQLB-CEXWTWQISA-N 2 0 363.571 3.291 20 0 FGADRP C[NH+](C)[C@@H](CNC(=O)NC1CCC(C)([NH+]2CCC2)CC1)c1ccsc1 ZINC000914074530 757679915 /nfs/dbraw/zinc/67/99/15/757679915.db2.gz HKRSKPSXFVKOEW-HFCFLWKCSA-N 2 0 364.559 3.057 20 0 FGADRP CC(C)[C@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1cc(Br)cs1)C2 ZINC000922385289 758909156 /nfs/dbraw/zinc/90/91/56/758909156.db2.gz ADXWLKUOVHNEMK-KLHDSHLOSA-N 2 0 373.360 3.080 20 0 FGADRP Cc1nc2ccc(C[NH2+][C@@H]3C[C@]4(C[N@@H+](C)[C@@H]4C(C)C)C[C@H]3O)cc2s1 ZINC000922391186 758911633 /nfs/dbraw/zinc/91/16/33/758911633.db2.gz UKDDODOEDKVHCI-HNBVOPMISA-N 2 0 359.539 3.174 20 0 FGADRP C[C@@H]1CC2(C[N@@H+]1C[C@H](O)Cc1ccc(C(F)(F)F)cc1)CC[NH2+]CC2 ZINC000923382343 759108818 /nfs/dbraw/zinc/10/88/18/759108818.db2.gz CGEUVJZCZXVJAI-RHSMWYFYSA-N 2 0 356.432 3.073 20 0 FGADRP Cc1nc(C[N@@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)sc1C(C)(C)C ZINC000923390915 759109920 /nfs/dbraw/zinc/10/99/20/759109920.db2.gz ZOSSUGPXLCOAPP-JYJNAYRXSA-N 2 0 351.560 3.467 20 0 FGADRP CC[NH+]1CCN(CCCC[NH2+][C@H]2CCCc3c(Cl)ccnc32)CC1 ZINC000924663201 759370160 /nfs/dbraw/zinc/37/01/60/759370160.db2.gz ZMPWUXVGSUBNPS-SFHVURJKSA-N 2 0 350.938 3.120 20 0 FGADRP CCS(=O)(=O)c1cc(Cl)cc(C[NH2+][C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)c1 ZINC000925684873 759523633 /nfs/dbraw/zinc/52/36/33/759523633.db2.gz DLZCLMJHJBEKIX-HUUCEWRRSA-N 2 0 358.935 3.129 20 0 FGADRP C[C@H]([NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ccc(C(F)(F)F)cc1 ZINC000925854491 759559557 /nfs/dbraw/zinc/55/95/57/759559557.db2.gz NBHWWFXDCXGICP-SWLSCSKDSA-N 2 0 356.388 3.041 20 0 FGADRP C[C@@H]([NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ccc(Cl)cc1Cl ZINC000925857200 759561722 /nfs/dbraw/zinc/56/17/22/759561722.db2.gz SEFWSZMNYCQNTF-DGCLKSJQSA-N 2 0 357.281 3.329 20 0 FGADRP CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+][C@@H](C)c3cc(O)cc(F)c3)C2)[C@@H]1C(C)C ZINC000926878169 759835422 /nfs/dbraw/zinc/83/54/22/759835422.db2.gz FFOMVZLJCLSJQS-XGBLFZJKSA-N 2 0 350.478 3.052 20 0 FGADRP CCOC(=O)C(F)(F)[C@H]1CC[C@H]([NH2+]C2CCC(C)([NH+]3CCC3)CC2)C1 ZINC000927037353 759879663 /nfs/dbraw/zinc/87/96/63/759879663.db2.gz JFDFIWYTNNDDFT-VUGNNNGISA-N 2 0 358.473 3.350 20 0 FGADRP C[NH+](C)CCC1CC[NH+](C[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC000929327859 760361121 /nfs/dbraw/zinc/36/11/21/760361121.db2.gz NQLWKVIWYIOHMD-MSOLQXFVSA-N 2 0 353.551 3.344 20 0 FGADRP C[C@@H]1[C@H](C(=O)N2CCCC[C@H]2C[NH2+]Cc2cccc(Cl)c2)CC[N@@H+]1C ZINC000960012422 762730691 /nfs/dbraw/zinc/73/06/91/762730691.db2.gz XHDIRKZWHHBPIF-AYOQOUSVSA-N 2 0 363.933 3.151 20 0 FGADRP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]([NH+](C)Cc3cc(C)sc3C)C2)CC[N@@H+]1C ZINC000971572858 762915019 /nfs/dbraw/zinc/91/50/19/762915019.db2.gz PDUGJRDGUZGOTO-GBESFXJTSA-N 2 0 363.571 3.128 20 0 FGADRP CC[C@@H]1[C@@H](C(=O)N(CC)[C@H]2CCC[NH+](C/C=C/Cl)CC2)CC[N@@H+]1C ZINC000998006641 765091879 /nfs/dbraw/zinc/09/18/79/765091879.db2.gz LKTUCIALAWZUAH-ASXKKBSPSA-N 2 0 355.954 3.172 20 0 FGADRP CC[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1)c1ccc(Cl)cc1 ZINC001022103472 765973473 /nfs/dbraw/zinc/97/34/73/765973473.db2.gz HYDVALXSNCMSPH-LQDZTQBFSA-N 2 0 363.933 3.368 20 0 FGADRP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3cc(Cl)cc(Cl)c3)C2)CC[N@@H+]1C ZINC001022104069 765974021 /nfs/dbraw/zinc/97/40/21/765974021.db2.gz SQIPXCHAUAASAH-KLWIRTJPSA-N 2 0 370.324 3.070 20 0 FGADRP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](C[NH2+]Cc3cc(C)sc3C)C2)CC[N@@H+]1C ZINC001026855741 766083279 /nfs/dbraw/zinc/08/32/79/766083279.db2.gz MOPNBXUQUAMQNN-YTQUADARSA-N 2 0 363.571 3.033 20 0 FGADRP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCC[NH+]2Cc2ccccc2Cl)CC[N@@H+]1C ZINC001027892838 766104343 /nfs/dbraw/zinc/10/43/43/766104343.db2.gz DYCBASRBNAGCSB-JENIJYKNSA-N 2 0 363.933 3.151 20 0 FGADRP Cc1cc(Cl)ccc1C[NH+]1CC[C@](C)(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001046331231 766585302 /nfs/dbraw/zinc/58/53/02/766585302.db2.gz HNLDFECGJWOBSW-ZTNFWEORSA-N 2 0 363.933 3.069 20 0 FGADRP Cc1cc([C@H](C)[NH2+][C@@H](C)CN2CC[NH+](C)CC2)sc1Br ZINC000286456494 498402766 /nfs/dbraw/zinc/40/27/66/498402766.db2.gz KEBHGTRGOICFHV-STQMWFEESA-N 2 0 360.365 3.106 20 0 FGADRP C[NH+]1CCN(c2cc[nH+]cc2NCc2ccc3c(c2)CC(C)(C)O3)CC1 ZINC000533124358 503739061 /nfs/dbraw/zinc/73/90/61/503739061.db2.gz BISQCFHEIWJKBD-UHFFFAOYSA-N 2 0 352.482 3.159 20 0 FGADRP C[C@H]1C[C@H]([NH3+])CCN1CC(=O)N(CCc1ccccc1)Cc1ccccc1 ZINC000579609220 505586192 /nfs/dbraw/zinc/58/61/92/505586192.db2.gz QOXVBSKMHQSKQH-SIKLNZKXSA-N 2 0 365.521 3.070 20 0 FGADRP CCC[NH+]1CCN(c2ccccc2C[N@@H+]2CCC[C@]2(C)CCCO)CC1 ZINC000576789078 505594310 /nfs/dbraw/zinc/59/43/10/505594310.db2.gz AFXZZTGMOJKRQA-JOCHJYFZSA-N 2 0 359.558 3.346 20 0 FGADRP COc1ncccc1CC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000573734551 505607249 /nfs/dbraw/zinc/60/72/49/505607249.db2.gz ZFJPUNWMVYMQJF-WKCHPHFGSA-N 2 0 351.494 3.418 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC000579746311 505611853 /nfs/dbraw/zinc/61/18/53/505611853.db2.gz OCLJPIBLZNSBMI-GCJKJVERSA-N 2 0 365.521 3.041 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1coc(-c2ccccc2)n1 ZINC000576865177 505612307 /nfs/dbraw/zinc/61/23/07/505612307.db2.gz ZTHVYZMESKQJDF-HXUWFJFHSA-N 2 0 356.514 3.190 20 0 FGADRP C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)C[C@@H](c1ncc[nH]1)c1ccccc1 ZINC000579828956 505628231 /nfs/dbraw/zinc/62/82/31/505628231.db2.gz CJBORDMMNGXAJG-QZTJIDSGSA-N 2 0 354.498 3.168 20 0 FGADRP C[C@H](C(=O)Nc1cccc(C(F)(F)F)c1)[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000579838765 505630504 /nfs/dbraw/zinc/63/05/04/505630504.db2.gz WWJDEHNLNFKNSH-HIFRSBDPSA-N 2 0 369.431 3.354 20 0 FGADRP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)NCC[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)C1 ZINC000576965682 505635491 /nfs/dbraw/zinc/63/54/91/505635491.db2.gz SNRJFWRPEHLQNQ-YXYSEUPNSA-N 2 0 372.557 3.056 20 0 FGADRP CC(C)(C)CCCCC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000573870985 505640083 /nfs/dbraw/zinc/64/00/83/505640083.db2.gz MYLJEWJOFAJMNY-UHFFFAOYSA-N 2 0 360.546 3.316 20 0 FGADRP C[C@H]1C[NH+](CCC2CC[NH+](Cc3ccc(-c4cc[nH]n4)o3)CC2)C[C@H](C)O1 ZINC000571122540 505657778 /nfs/dbraw/zinc/65/77/78/505657778.db2.gz GXNKHZYFMXPVFH-IRXDYDNUSA-N 2 0 372.513 3.381 20 0 FGADRP COCC[C@H](Cc1cccc(F)c1)[NH2+]CC1(SC)CC[NH+](C)CC1 ZINC000577108444 505666262 /nfs/dbraw/zinc/66/62/62/505666262.db2.gz SHARDOIYHXTINN-GOSISDBHSA-N 2 0 354.535 3.190 20 0 FGADRP C[C@@H](NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1ccc(F)c2ccccc21 ZINC000571193841 505676338 /nfs/dbraw/zinc/67/63/38/505676338.db2.gz WTOSDDSYVXPHLW-MRXNPFEDSA-N 2 0 374.504 3.175 20 0 FGADRP C[C@@H](CNC(=O)NCc1ccccc1C[NH+]1CCCC1)[N@@H+]1CCCC[C@@H]1C ZINC000048220323 493804702 /nfs/dbraw/zinc/80/47/02/493804702.db2.gz OVMUAIFOAIDAOL-OALUTQOASA-N 2 0 372.557 3.345 20 0 FGADRP C[N@@H+](Cc1ccccc1)CC1CC[NH+]([C@@H](C(N)=O)c2ccccc2)CC1 ZINC000057844067 493806868 /nfs/dbraw/zinc/80/68/68/493806868.db2.gz SRYVURVGZQMFQD-OAQYLSRUSA-N 2 0 351.494 3.057 20 0 FGADRP CC[N@@H+](Cc1ccc(C(=O)NC)cc1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076155125 493832774 /nfs/dbraw/zinc/83/27/74/493832774.db2.gz CFJPVUYUEFRLDW-NRFANRHFSA-N 2 0 365.521 3.390 20 0 FGADRP Cc1cc(F)ccc1C[NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000076331074 493866800 /nfs/dbraw/zinc/86/68/00/493866800.db2.gz WADILQRYSCIOHS-UHFFFAOYSA-N 2 0 369.484 3.250 20 0 FGADRP C[NH+](C)[C@H](CNC(=O)c1cccc(C[NH+]2CCCC2)c1)c1ccsc1 ZINC000050029648 493893658 /nfs/dbraw/zinc/89/36/58/493893658.db2.gz MSZKXXVUAQTATL-LJQANCHMSA-N 2 0 357.523 3.377 20 0 FGADRP C[C@H](C1CC1)[N@H+](CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)C1CC1 ZINC000076675131 493949187 /nfs/dbraw/zinc/94/91/87/493949187.db2.gz AMBLRPHCMYMGMO-QGZVFWFLSA-N 2 0 355.526 3.162 20 0 FGADRP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC000574090613 505691097 /nfs/dbraw/zinc/69/10/97/505691097.db2.gz UIWCEIAJWDLEAL-QUCCMNQESA-N 2 0 357.542 3.278 20 0 FGADRP CC[N@H+](C)Cc1cccc(CNC(=O)NC[C@H](C2CCCCC2)[NH+](C)C)c1 ZINC000062473380 494013582 /nfs/dbraw/zinc/01/35/82/494013582.db2.gz BKEJVFJYWPVQIU-OAQYLSRUSA-N 2 0 374.573 3.448 20 0 FGADRP C[C@H](CC[NH+](C)C)NC(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000062505745 494015126 /nfs/dbraw/zinc/01/51/26/494015126.db2.gz FBCIXIPILXXIFR-GOSISDBHSA-N 2 0 360.546 3.058 20 0 FGADRP O[C@@H](C[NH2+]CC1CC[NH+](C2CC2)CC1)Cc1ccc(C(F)(F)F)cc1 ZINC000577275618 505698913 /nfs/dbraw/zinc/69/89/13/505698913.db2.gz JISIUSPCCIJXMW-GOSISDBHSA-N 2 0 356.432 3.073 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N(C)[C@H]1CC[N@H+](C)C[C@@H]1C)c1ccccc1 ZINC000085387468 494118430 /nfs/dbraw/zinc/11/84/30/494118430.db2.gz MQEZZGARMJJWIN-YSIASYRMSA-N 2 0 360.546 3.051 20 0 FGADRP C[C@H](CC[NH+](C)C)NC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000077574902 494118636 /nfs/dbraw/zinc/11/86/36/494118636.db2.gz SACSTQAPCCWYDC-OKCRPCIYSA-N 2 0 372.557 3.164 20 0 FGADRP Brc1cccc(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)c1 ZINC000072076042 494124663 /nfs/dbraw/zinc/12/46/63/494124663.db2.gz QLXRLFKMYMZQLY-UHFFFAOYSA-N 2 0 367.331 3.383 20 0 FGADRP CCC[NH+]1CCC(Nc2ncc(C)c(NC3CC[NH+](CCC)CC3)n2)CC1 ZINC000085653196 494135809 /nfs/dbraw/zinc/13/58/09/494135809.db2.gz JMQDZIIKFZLBJS-UHFFFAOYSA-N 2 0 374.577 3.358 20 0 FGADRP O=C(NCCC[NH2+]C1CCCCC1)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000043037947 494259544 /nfs/dbraw/zinc/25/95/44/494259544.db2.gz LUCRYYNIXKXPMU-GOSISDBHSA-N 2 0 362.518 3.028 20 0 FGADRP COc1cccc([C@@H]2[C@H]([NH2+]CCN3CCC(C)CC3)CCN2C2CC2)c1 ZINC000568486871 505707000 /nfs/dbraw/zinc/70/70/00/505707000.db2.gz LXYHQIYKXXFDNI-FGZHOGPDSA-N 2 0 357.542 3.295 20 0 FGADRP O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)N1CC[NH+](C2CCCC2)CC1 ZINC000043136427 494268577 /nfs/dbraw/zinc/26/85/77/494268577.db2.gz GUODOILLHOIWGH-LJQANCHMSA-N 2 0 374.529 3.076 20 0 FGADRP CC(C)[C@H](CNC(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1)[NH+]1CCC(C)CC1 ZINC000078523018 494313352 /nfs/dbraw/zinc/31/33/52/494313352.db2.gz DPHBWSBREUBWOS-PMACEKPBSA-N 2 0 366.594 3.163 20 0 FGADRP O=C(CCC[NH2+]C1CC[NH+](C2CCCC2)CC1)N1Cc2ccccc2C1 ZINC000089597236 494328701 /nfs/dbraw/zinc/32/87/01/494328701.db2.gz SOPIOIMOBRIUQC-UHFFFAOYSA-N 2 0 355.526 3.306 20 0 FGADRP C[NH+](C)Cc1cccc(NC(=O)NCCC[N@H+](C)Cc2ccccc2)c1 ZINC000044277461 494346779 /nfs/dbraw/zinc/34/67/79/494346779.db2.gz FUJVQHMBWXMHJB-UHFFFAOYSA-N 2 0 354.498 3.392 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1c[nH]nc1-c1cccc(C)c1 ZINC000580259588 505715123 /nfs/dbraw/zinc/71/51/23/505715123.db2.gz OUEPKVQQWNKHOU-NRFANRHFSA-N 2 0 369.557 3.233 20 0 FGADRP CCC[NH+](CCC)CCCNC(=O)C1CCN(c2cc[nH+]cc2C)CC1 ZINC000073338580 494359744 /nfs/dbraw/zinc/35/97/44/494359744.db2.gz GJQJXPQDNJSKMF-UHFFFAOYSA-N 2 0 360.546 3.235 20 0 FGADRP CC1CC[NH+](CCCNC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000044913869 494388550 /nfs/dbraw/zinc/38/85/50/494388550.db2.gz UTXBAFFJPUUUNF-OAQYLSRUSA-N 2 0 357.542 3.137 20 0 FGADRP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000066704787 494389080 /nfs/dbraw/zinc/38/90/80/494389080.db2.gz XEIRGPYGZJKZFK-IBGZPJMESA-N 2 0 352.567 3.014 20 0 FGADRP CC[NH+](CC)Cc1ccc(CNC(=O)N2CCC([NH+]3CCCC3)CC2)cc1 ZINC000045181383 494404190 /nfs/dbraw/zinc/40/41/90/494404190.db2.gz LLEZBMADIVIXDL-UHFFFAOYSA-N 2 0 372.557 3.298 20 0 FGADRP Cc1c[nH+]ccc1N1CCC(C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)CC1 ZINC000073764305 494424781 /nfs/dbraw/zinc/42/47/81/494424781.db2.gz PZQSRDFWHIETPF-LJQANCHMSA-N 2 0 360.546 3.089 20 0 FGADRP CC(C)[C@@H](C(=O)Nc1cccc(NC(=O)CC[NH+]2CCCCC2)c1)[NH+](C)C ZINC000066928492 494439981 /nfs/dbraw/zinc/43/99/81/494439981.db2.gz ACYGLZUALJSNDH-FQEVSTJZSA-N 2 0 374.529 3.026 20 0 FGADRP CC[NH+]1CCC(CCNC(=O)NC[C@@H](c2ccc(C)cc2)[NH+](C)C)CC1 ZINC000073897394 494444218 /nfs/dbraw/zinc/44/42/18/494444218.db2.gz AJYSSVBOMLOWFD-FQEVSTJZSA-N 2 0 360.546 3.019 20 0 FGADRP Cc1ccc([C@@H](CNC(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)[NH+](C)C)cc1 ZINC000073897531 494444412 /nfs/dbraw/zinc/44/44/12/494444412.db2.gz UXZQGMSPXOLYNP-VQTJNVASSA-N 2 0 360.546 3.114 20 0 FGADRP O[C@H]1CCCC[C@@H]1[NH+]1CCC(NC2CC[NH+](C3CCCCC3)CC2)CC1 ZINC000090525254 494478298 /nfs/dbraw/zinc/47/82/98/494478298.db2.gz KVHLPMLNPBUJPC-VXKWHMMOSA-N 2 0 363.590 3.141 20 0 FGADRP O=C(Nc1ccc(CC[NH+]2CCCCC2)cc1)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000079552575 494479409 /nfs/dbraw/zinc/47/94/09/494479409.db2.gz ABCUZSDPCPQOBT-LEWJYISDSA-N 2 0 370.541 3.463 20 0 FGADRP C[N@H+](CCCN1CC[NH+](C)CC1)Cc1ccc(Cl)c(Br)c1 ZINC000568564715 505723371 /nfs/dbraw/zinc/72/33/71/505723371.db2.gz JDYUZUZEAQICNL-UHFFFAOYSA-N 2 0 374.754 3.172 20 0 FGADRP C[C@H](CNC(=O)N(C)CC[C@H]1CCCC[N@@H+]1C)[NH+](C)Cc1ccccc1 ZINC000074168723 494491468 /nfs/dbraw/zinc/49/14/68/494491468.db2.gz PYHXKSNCKWWDDA-UYAOXDASSA-N 2 0 360.546 3.023 20 0 FGADRP C[C@@H]([NH2+]Cc1cn(C)nc1C(F)(F)F)c1ccc(OCC[NH+](C)C)cc1 ZINC000090666406 494491932 /nfs/dbraw/zinc/49/19/32/494491932.db2.gz PCWVQFQBIFXRCE-CYBMUJFWSA-N 2 0 370.419 3.230 20 0 FGADRP CC(C)[N@H+](C)CC1CCN(C(=O)NCCCC[NH+]2CCCC[C@@H]2C)CC1 ZINC000079613077 494493167 /nfs/dbraw/zinc/49/31/67/494493167.db2.gz XOGMPCMBFQWLAH-IBGZPJMESA-N 2 0 366.594 3.403 20 0 FGADRP C[C@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)c1ccc2ccccc2n1 ZINC000090937056 494505144 /nfs/dbraw/zinc/50/51/44/494505144.db2.gz PGCNUMGFQRJBAY-INIZCTEOSA-N 2 0 350.466 3.421 20 0 FGADRP CC[NH+](CC)[C@H](C(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1)c1ccccc1 ZINC000074319164 494516796 /nfs/dbraw/zinc/51/67/96/494516796.db2.gz QSNHFHDSSUWPAP-CTNGQTDRSA-N 2 0 357.542 3.260 20 0 FGADRP CC[NH+](CC)CCOc1ccc(C(=O)N2CC[NH+](C3CCCC3)CC2)cc1 ZINC000056691446 494545952 /nfs/dbraw/zinc/54/59/52/494545952.db2.gz MZRKGJLNMOYGTF-UHFFFAOYSA-N 2 0 373.541 3.108 20 0 FGADRP COc1ccccc1[C@@H]([NH2+]C[C@H](C)CN1CC[NH+](C)CC1)C1CCCC1 ZINC000091320291 494584507 /nfs/dbraw/zinc/58/45/07/494584507.db2.gz HJCWLBXGAZDQFU-AVRDEDQJSA-N 2 0 359.558 3.400 20 0 FGADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H](c1ccc(Br)cc1)C1CC1 ZINC000091334706 494585264 /nfs/dbraw/zinc/58/52/64/494585264.db2.gz VKSFNCZJNUZRQG-KDOFPFPSSA-N 2 0 366.347 3.126 20 0 FGADRP OC[C@H]1CCC[N@@H+]1CCCC[NH2+][C@H]1CCc2c1cccc2Br ZINC000091336555 494585855 /nfs/dbraw/zinc/58/58/55/494585855.db2.gz COVUWXMTGMWURE-KDOFPFPSSA-N 2 0 367.331 3.263 20 0 FGADRP C[C@H]([NH2+]Cc1ccnc(N2CCCC2)c1)c1cccc(OCC[NH+](C)C)c1 ZINC000131407645 494608740 /nfs/dbraw/zinc/60/87/40/494608740.db2.gz FIBIXVWEOVQBKJ-SFHVURJKSA-N 2 0 368.525 3.473 20 0 FGADRP CC(C)C[C@H](CCO)C[NH2+]Cc1c(Cl)cccc1N1CC[NH+](C)CC1 ZINC000092410072 494616620 /nfs/dbraw/zinc/61/66/20/494616620.db2.gz XDNFVYXBPWWWDI-KRWDZBQOSA-N 2 0 367.965 3.226 20 0 FGADRP Cc1ccc([C@H](CNC(=O)NC[C@H](c2ccsc2)[NH+](C)C)[NH+](C)C)cc1 ZINC000067705297 494616717 /nfs/dbraw/zinc/61/67/17/494616717.db2.gz KGAJJNXDEFFTIH-RBUKOAKNSA-N 2 0 374.554 3.261 20 0 FGADRP C[C@@H]([NH2+]C[C@H](C)CN1CC[NH+](C)CC1)c1ccc(Br)c(F)c1 ZINC000131442744 494621277 /nfs/dbraw/zinc/62/12/77/494621277.db2.gz XXFJPKCCFPKDDM-UONOGXRCSA-N 2 0 372.326 3.122 20 0 FGADRP Cc1ccc(C[NH+]2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)cc1F ZINC000092427143 494624281 /nfs/dbraw/zinc/62/42/81/494624281.db2.gz DQPBVVSBYROSED-UHFFFAOYSA-N 2 0 363.521 3.050 20 0 FGADRP CC[N@H+](C)Cc1cccc(CNC(=O)N2CC[C@@H](C[NH+](C)CC3CC3)C2)c1 ZINC000074868809 494630498 /nfs/dbraw/zinc/63/04/98/494630498.db2.gz LEARJLVFKGHMBZ-NRFANRHFSA-N 2 0 372.557 3.012 20 0 FGADRP C[C@H]1C[NH+](CCCC[NH2+]C2CCC(C(=O)OC(C)(C)C)CC2)C[C@H](C)O1 ZINC000092564290 494671224 /nfs/dbraw/zinc/67/12/24/494671224.db2.gz PVUVFXZGRKROEE-YXWAVELNSA-N 2 0 368.562 3.366 20 0 FGADRP CC[C@@H]1C[C@@H](C)C[N@@H+]1CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000075022650 494675809 /nfs/dbraw/zinc/67/58/09/494675809.db2.gz KLXIDJYUNXKABF-DYESRHJHSA-N 2 0 357.542 3.196 20 0 FGADRP C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]CC1CC[NH+](C)CC1 ZINC000126332185 494713692 /nfs/dbraw/zinc/71/36/92/494713692.db2.gz WFZWETZMKAKRFW-OAHLLOKOSA-N 2 0 351.922 3.008 20 0 FGADRP CC[NH+](CC)CCCNC(=O)C1CC[NH+](C[C@H]2CCC[C@H](C)C2)CC1 ZINC000092794254 494751013 /nfs/dbraw/zinc/75/10/13/494751013.db2.gz AOMUPENMPLPWPJ-OALUTQOASA-N 2 0 351.579 3.373 20 0 FGADRP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000075503419 494778745 /nfs/dbraw/zinc/77/87/45/494778745.db2.gz GOGNSNOMUIDDJM-OAQYLSRUSA-N 2 0 372.557 3.167 20 0 FGADRP C[NH+](C)CC[C@H](NC(=O)N1CCC[N@H+](Cc2ccccc2)CC1)C(C)(C)C ZINC000116440426 494786018 /nfs/dbraw/zinc/78/60/18/494786018.db2.gz BDSVLOKLNDCRIP-FQEVSTJZSA-N 2 0 374.573 3.270 20 0 FGADRP COC(=O)c1ccc(OCC[NH+]2CCC(CC[NH+](C)C)CC2)c(Cl)c1 ZINC000075644999 494809655 /nfs/dbraw/zinc/80/96/55/494809655.db2.gz DHMVWFNWLUIBAT-UHFFFAOYSA-N 2 0 368.905 3.169 20 0 FGADRP CCCC[NH+]1CCC(NC(=O)N[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC000132074350 494813282 /nfs/dbraw/zinc/81/32/82/494813282.db2.gz HKLOLYBOOKSHEV-WIYYLYMNSA-N 2 0 372.557 3.213 20 0 FGADRP CCn1cc([C@@H](C)[NH2+][C@@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)cn1 ZINC000126713871 494825005 /nfs/dbraw/zinc/82/50/05/494825005.db2.gz FVXQLZPGWYSUGM-CVEARBPZSA-N 2 0 359.493 3.206 20 0 FGADRP CCCCCOc1ccc(C[N@@H+]2CC[C@@H](N3CC[NH+](CC)CC3)C2)cc1 ZINC000093133165 494830684 /nfs/dbraw/zinc/83/06/84/494830684.db2.gz CMXVHRDQDYFZQA-OAQYLSRUSA-N 2 0 359.558 3.467 20 0 FGADRP C[C@H]1CCC[N@@H+]1C1CCN(C(=O)NCCCCCCC[NH+](C)C)CC1 ZINC000126765234 494833804 /nfs/dbraw/zinc/83/38/04/494833804.db2.gz ABQZPJMVPNUIPW-SFHVURJKSA-N 2 0 352.567 3.157 20 0 FGADRP CCCn1cc(C[NH2+][C@H](C)c2cc(F)ccc2N2CC[NH+](CC)CC2)cn1 ZINC000116916569 494870337 /nfs/dbraw/zinc/87/03/37/494870337.db2.gz VUFYODCOUQYXNI-QGZVFWFLSA-N 2 0 373.520 3.425 20 0 FGADRP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(C)c(OCC(=O)OC)c(C)c2)[C@H](C)C1 ZINC000093639774 494907528 /nfs/dbraw/zinc/90/75/28/494907528.db2.gz CDBTVZXNQSTMGT-IEBWSBKVSA-N 2 0 362.514 3.017 20 0 FGADRP Cc1ncc(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)n1-c1ccccc1 ZINC000093735053 494915218 /nfs/dbraw/zinc/91/52/18/494915218.db2.gz XCCPDRNEUQOAKE-UHFFFAOYSA-N 2 0 368.525 3.258 20 0 FGADRP COCC[N@H+](C)CCCC1CC[NH+](Cc2ccc(N3CCCC3)nc2)CC1 ZINC000093769428 494919303 /nfs/dbraw/zinc/91/93/03/494919303.db2.gz UZHHQKLDOSOACH-UHFFFAOYSA-N 2 0 374.573 3.252 20 0 FGADRP CC(C)n1cc([C@@H](C)[NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)cn1 ZINC000132799698 494926586 /nfs/dbraw/zinc/92/65/86/494926586.db2.gz RXCJOVVPDVXLHN-QGZVFWFLSA-N 2 0 356.514 3.272 20 0 FGADRP Cc1ccc2ncc(C[NH+]3CCC(CC[NH+]4C[C@H](C)O[C@@H](C)C4)CC3)n2c1 ZINC000093844489 494927089 /nfs/dbraw/zinc/92/70/89/494927089.db2.gz PSOOSKSPLOTLSN-OALUTQOASA-N 2 0 370.541 3.354 20 0 FGADRP CCc1ncc(C[NH+]2CCC(CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)s1 ZINC000093844175 494927573 /nfs/dbraw/zinc/92/75/73/494927573.db2.gz IEJNNTBGZGXSRS-IYBDPMFKSA-N 2 0 351.560 3.417 20 0 FGADRP CC(C)c1cccc2c1OCCC[C@H]2[NH2+]C[C@@H](C)CN1CC[NH+](C)CC1 ZINC000122250419 494946920 /nfs/dbraw/zinc/94/69/20/494946920.db2.gz YWNKWXZUEGUHPL-WIYYLYMNSA-N 2 0 359.558 3.497 20 0 FGADRP C[C@@H](C[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1)C[NH+]1CCCC1 ZINC000133098723 494968945 /nfs/dbraw/zinc/96/89/45/494968945.db2.gz PZKSYNWGDGZFSP-IBGZPJMESA-N 3 0 358.574 3.039 20 0 FGADRP CC[NH+](CC)[C@@H](C(=O)NCC[N@H+](C)Cc1ccccc1)c1ccccc1 ZINC000111043041 495033361 /nfs/dbraw/zinc/03/33/61/495033361.db2.gz TVZMKQZAKJONFC-OAQYLSRUSA-N 2 0 353.510 3.318 20 0 FGADRP CC(C)CC[NH+]1CCC(CNC(=O)NC[C@@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC000133782741 495061849 /nfs/dbraw/zinc/06/18/49/495061849.db2.gz PXLGDIDHVALLKJ-FQEVSTJZSA-N 2 0 366.594 3.022 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NCc2cccc(C[NH+]3CCCC3)c2)[C@H](C)C1 ZINC000128269922 495070654 /nfs/dbraw/zinc/07/06/54/495070654.db2.gz SFJVDPKVGJDYMX-NQIIRXRSSA-N 2 0 372.557 3.154 20 0 FGADRP CC(C)c1ccccc1NC(=O)C[C@H](C)[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000128298996 495075213 /nfs/dbraw/zinc/07/52/13/495075213.db2.gz FQCXCFZMHUEZTM-IBGZPJMESA-N 2 0 374.573 3.144 20 0 FGADRP CCOc1ccc(Cl)cc1[C@H](C)[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000128334934 495080968 /nfs/dbraw/zinc/08/09/68/495080968.db2.gz WEYAUDFVWOJNNT-INIZCTEOSA-N 2 0 353.938 3.417 20 0 FGADRP COc1cc(C[NH2+]C2CCN(C3CC3)CC2)ccc1OCC(F)(F)F ZINC000101590314 495082752 /nfs/dbraw/zinc/08/27/52/495082752.db2.gz IEQGEWCLLREWRO-UHFFFAOYSA-N 2 0 358.404 3.353 20 0 FGADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccccc2N(C)C2CC[NH+](C)CC2)C1 ZINC000133950299 495085518 /nfs/dbraw/zinc/08/55/18/495085518.db2.gz OEWTUHHFLMBSCG-FQEVSTJZSA-N 3 0 372.601 3.427 20 0 FGADRP CCn1nccc1C[NH2+][C@@H](C)c1cc(F)ccc1N1CC[NH+](CC)CC1 ZINC000119088332 495089834 /nfs/dbraw/zinc/08/98/34/495089834.db2.gz KJSADZBPXOJHMC-INIZCTEOSA-N 2 0 359.493 3.035 20 0 FGADRP Clc1cccc(-c2n[nH]cc2C[NH+]2CCC(C[NH+]3CCOCC3)CC2)c1 ZINC000134111568 495107616 /nfs/dbraw/zinc/10/76/16/495107616.db2.gz HGUDQZLKAZAAAN-UHFFFAOYSA-N 2 0 374.916 3.274 20 0 FGADRP C[C@@H]([NH2+]CCC(=O)NC1CCCCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000128643325 495128370 /nfs/dbraw/zinc/12/83/70/495128370.db2.gz SRRVGDRVLCDUJH-QGZVFWFLSA-N 2 0 361.530 3.117 20 0 FGADRP C[N@@H+]1CCCN(CCC[NH2+][C@@H]2CCc3ccc(OC(F)(F)F)cc32)CC1 ZINC000128697020 495137063 /nfs/dbraw/zinc/13/70/63/495137063.db2.gz BKBYWWBPYUHEEX-GOSISDBHSA-N 2 0 371.447 3.190 20 0 FGADRP C[C@H]([NH2+]CCCN1CCC[N@H+](C)CC1)c1cccc(-c2ccncc2)c1 ZINC000128702246 495138424 /nfs/dbraw/zinc/13/84/24/495138424.db2.gz QAQZIIZYKZSVJW-IBGZPJMESA-N 2 0 352.526 3.427 20 0 FGADRP CC(C)[NH2+]C1CCN(C(=O)NC[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC000119386260 495156379 /nfs/dbraw/zinc/15/63/79/495156379.db2.gz PKVVDRNBFYQCEN-AZUAARDMSA-N 2 0 372.557 3.069 20 0 FGADRP C[C@@H]1CN(C(C)(C)C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)C[C@H](C)O1 ZINC000119485011 495175334 /nfs/dbraw/zinc/17/53/34/495175334.db2.gz RPCXXTDZMZSAGG-BGYRXZFFSA-N 2 0 373.585 3.171 20 0 FGADRP COCC1CC[NH+](Cc2cccc(C[NH+]3CCC(COC)CC3)c2)CC1 ZINC000112355589 495180416 /nfs/dbraw/zinc/18/04/16/495180416.db2.gz DDUFATCGILTCHG-UHFFFAOYSA-N 2 0 360.542 3.403 20 0 FGADRP C[C@@H]1C[C@H](N(C)C(=O)NC[C@]2(C)CCC[NH+]2Cc2ccccc2)CC[N@@H+]1C ZINC000119589258 495196731 /nfs/dbraw/zinc/19/67/31/495196731.db2.gz LMNWPUAMYMLKAY-UZKOGDIHSA-N 2 0 372.557 3.165 20 0 FGADRP C[N@@H+]1CCC[C@H]2C[NH+](CCOc3cccc(Br)c3)CC[C@@H]21 ZINC000129159307 495204880 /nfs/dbraw/zinc/20/48/80/495204880.db2.gz CUYIHLDVASZGRX-YOEHRIQHSA-N 2 0 353.304 3.244 20 0 FGADRP C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)C[C@H]([NH3+])c2ccccc2)CC1 ZINC000119639764 495208471 /nfs/dbraw/zinc/20/84/71/495208471.db2.gz MVPAGJOCFLUDNU-QFIPXVFZSA-N 2 0 365.521 3.447 20 0 FGADRP CC[N@H+](C)Cc1cccc(C[NH2+][C@@H](C)Cn2cc(Br)cn2)c1 ZINC000123943668 495209978 /nfs/dbraw/zinc/20/99/78/495209978.db2.gz RDPJABKEFHDWLG-AWEZNQCLSA-N 2 0 365.319 3.276 20 0 FGADRP CC[N@H+](C)Cc1cccc(C[NH2+][C@@H](C)c2ccc(S(C)(=O)=O)cc2)c1 ZINC000124005715 495219997 /nfs/dbraw/zinc/21/99/97/495219997.db2.gz KWBGWVHRHOVMOE-INIZCTEOSA-N 2 0 360.523 3.393 20 0 FGADRP CC(C)[NH+](CCCNC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)C(C)C ZINC000129302644 495226010 /nfs/dbraw/zinc/22/60/10/495226010.db2.gz ZOEHOHPKYYGFQL-QUCCMNQESA-N 2 0 364.578 3.154 20 0 FGADRP O=C([C@H]1CCC[N@H+](Cc2ccccc2)C1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000112918880 495257334 /nfs/dbraw/zinc/25/73/34/495257334.db2.gz FIXJFVBFCAJTGM-QFIPXVFZSA-N 2 0 369.553 3.233 20 0 FGADRP C[C@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)c1cccc(OC(F)F)c1 ZINC000124408548 495282973 /nfs/dbraw/zinc/28/29/73/495282973.db2.gz OVWVLFLYYUMVCE-HNNXBMFYSA-N 2 0 355.473 3.212 20 0 FGADRP O=C(CC[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1)Nc1ccccc1 ZINC000113346763 495299005 /nfs/dbraw/zinc/29/90/05/495299005.db2.gz UQXUNICBHVNAMJ-UHFFFAOYSA-N 2 0 367.493 3.280 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1cccc(Cl)c1 ZINC000129855741 495305502 /nfs/dbraw/zinc/30/55/02/495305502.db2.gz YONVODPQMDIMJT-QGZVFWFLSA-N 2 0 352.910 3.220 20 0 FGADRP CC[NH+](CC)CCCNC(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000113577560 495316392 /nfs/dbraw/zinc/31/63/92/495316392.db2.gz SAVQSXUVAAVOIK-UHFFFAOYSA-N 2 0 360.546 3.024 20 0 FGADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)NC1CC[NH+](C2CC2)CC1)c1ccccc1 ZINC000113586117 495317504 /nfs/dbraw/zinc/31/75/04/495317504.db2.gz POXBUZHEERWOCZ-MRXNPFEDSA-N 2 0 358.530 3.042 20 0 FGADRP CC[N@H+](CCNC(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1)C(C)C ZINC000113611523 495321075 /nfs/dbraw/zinc/32/10/75/495321075.db2.gz ZMIDAUGOIULJGI-UHFFFAOYSA-N 2 0 360.546 3.023 20 0 FGADRP CC[N@@H+]1CCC[C@@H](CNC(=O)NCc2ccccc2C[NH+]2CCCCC2)C1 ZINC000105094422 495336077 /nfs/dbraw/zinc/33/60/77/495336077.db2.gz ZJFIHNILKHIGBQ-IBGZPJMESA-N 2 0 372.557 3.204 20 0 FGADRP CC[NH+](CC)Cc1cccc(CNC(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)c1 ZINC000105118879 495338894 /nfs/dbraw/zinc/33/88/94/495338894.db2.gz NUEVRUNJRUADJC-OAQYLSRUSA-N 2 0 374.573 3.448 20 0 FGADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)C1 ZINC000105134911 495339744 /nfs/dbraw/zinc/33/97/44/495339744.db2.gz NSGDMPJWBDHUGM-WOJBJXKFSA-N 2 0 364.578 3.158 20 0 FGADRP C[C@H]1CCC[N@H+](CCCCNC(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)C1 ZINC000105134914 495340246 /nfs/dbraw/zinc/34/02/46/495340246.db2.gz NSGDMPJWBDHUGM-VQTJNVASSA-N 2 0 364.578 3.158 20 0 FGADRP Cc1nccn1CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccccc1 ZINC000124889046 495359599 /nfs/dbraw/zinc/35/95/99/495359599.db2.gz WUPFBDZZCYYROH-HXUWFJFHSA-N 2 0 354.498 3.256 20 0 FGADRP Cc1nccn1C[C@H](C)C[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000105442990 495364737 /nfs/dbraw/zinc/36/47/37/495364737.db2.gz SMPULLDYSGDLIJ-GOSISDBHSA-N 2 0 356.514 3.092 20 0 FGADRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000105480478 495365700 /nfs/dbraw/zinc/36/57/00/495365700.db2.gz AKQAHMJMLNGMGM-BBRMVZONSA-N 2 0 352.404 3.321 20 0 FGADRP Cc1ccccc1C[NH+]1CCC(NC(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC000130384231 495384069 /nfs/dbraw/zinc/38/40/69/495384069.db2.gz FAPQZYQXXYSXBE-UHFFFAOYSA-N 2 0 365.521 3.451 20 0 FGADRP Cc1nc(CC[NH+]2CCC(CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cs1 ZINC000125083585 495388552 /nfs/dbraw/zinc/38/85/52/495388552.db2.gz KQMZSCRSQPOZRN-IYBDPMFKSA-N 2 0 351.560 3.205 20 0 FGADRP C[NH+]1CCN(c2ccc(C[NH2+][C@H]3CCSc4ccccc43)cn2)CC1 ZINC000130465285 495395862 /nfs/dbraw/zinc/39/58/62/495395862.db2.gz REGDPVCHAHLLJL-SFHVURJKSA-N 2 0 354.523 3.160 20 0 FGADRP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)C1 ZINC000130767235 495442293 /nfs/dbraw/zinc/44/22/93/495442293.db2.gz TYEGTJCSGHPTHR-PMACEKPBSA-N 2 0 364.578 3.014 20 0 FGADRP CCOc1ccccc1NC(=O)CC[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000137684976 495448302 /nfs/dbraw/zinc/44/83/02/495448302.db2.gz IPWZTCSRDVDHCX-GOSISDBHSA-N 2 0 359.514 3.222 20 0 FGADRP C[C@@H](c1ccncc1)N1CCC([NH2+][C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000131016769 495479875 /nfs/dbraw/zinc/47/98/75/495479875.db2.gz SMDYCHPJAXWOKN-LPHOPBHVSA-N 2 0 374.529 3.206 20 0 FGADRP CC[C@@H]([NH2+]C[C@@H](C)CN1CC[NH+](C)CC1)c1cccc(Br)c1 ZINC000121034960 495508411 /nfs/dbraw/zinc/50/84/11/495508411.db2.gz NBBITZLBUUJTIN-CRAIPNDOSA-N 2 0 368.363 3.373 20 0 FGADRP CCC[NH+]1CCC(NC(=O)NC[C@H](c2ccsc2)[NH+](CC)CC)CC1 ZINC000107327410 495525233 /nfs/dbraw/zinc/52/52/33/495525233.db2.gz ZEZWGCUJTRESST-GOSISDBHSA-N 2 0 366.575 3.305 20 0 FGADRP C[C@@H]1C[NH+](CCC2CC[NH+](C[C@H](O)CCc3ccccc3)CC2)C[C@@H](C)O1 ZINC000182448289 495567983 /nfs/dbraw/zinc/56/79/83/495567983.db2.gz JZLOWUMBJZQOAY-TXTKFYIRSA-N 2 0 374.569 3.191 20 0 FGADRP CC[C@@H]1CN(C(=O)NC2CC[NH+](C(C)C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000185453490 495582812 /nfs/dbraw/zinc/58/28/12/495582812.db2.gz UCJQSNKDJNESST-OAQYLSRUSA-N 2 0 372.557 3.165 20 0 FGADRP C[NH+](C)CC1(CNC(=O)NCc2cccc(C[NH+]3CCCC3)c2)CCCC1 ZINC000185466147 495587822 /nfs/dbraw/zinc/58/78/22/495587822.db2.gz IHSPEEVJVLFGBK-UHFFFAOYSA-N 2 0 372.557 3.204 20 0 FGADRP C[C@@H]([NH2+]CCCC[NH+]1CCN(C)CC1)c1ccccc1OC(F)(F)F ZINC000154352130 495588889 /nfs/dbraw/zinc/58/88/89/495588889.db2.gz TVMQKABWMCOFAY-OAHLLOKOSA-N 2 0 359.436 3.263 20 0 FGADRP C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1)[C@@H](C)c1nc2ccccc2s1 ZINC000158931835 495618360 /nfs/dbraw/zinc/61/83/60/495618360.db2.gz SCHRBPALCOFRMP-BRWVUGGUSA-N 2 0 361.555 3.471 20 0 FGADRP CCN1CC[NH+](CCCC[NH2+][C@H]2CC3(CCC3)Oc3ccccc32)CC1 ZINC000154510371 495637699 /nfs/dbraw/zinc/63/76/99/495637699.db2.gz QBWKWINOERIHPC-FQEVSTJZSA-N 2 0 357.542 3.440 20 0 FGADRP CC(C)[NH+](CCCNC(=O)N[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)C(C)C ZINC000182683749 495663032 /nfs/dbraw/zinc/66/30/32/495663032.db2.gz PZGZFRWAUUOHOG-MOPGFXCFSA-N 2 0 366.594 3.448 20 0 FGADRP Cc1ccccc1C[NH+]1CCC(NC(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000173747000 495674891 /nfs/dbraw/zinc/67/48/91/495674891.db2.gz ACWXGTISJHWHDG-WIYYLYMNSA-N 2 0 372.557 3.084 20 0 FGADRP COc1ccc([C@H](C)[C@H](C)[NH2+]Cc2ccnc(N3CC[NH+](C)CC3)c2)cc1 ZINC000159176805 495676887 /nfs/dbraw/zinc/67/68/87/495676887.db2.gz MSLNDTKCBQGBFC-MSOLQXFVSA-N 2 0 368.525 3.124 20 0 FGADRP Cc1cccc(C[C@@H]([NH2+]Cc2ccnc(N3CC[NH+](C)CC3)c2)C2CC2)c1 ZINC000159205309 495682844 /nfs/dbraw/zinc/68/28/44/495682844.db2.gz JCPWDEXRFBZBFN-JOCHJYFZSA-N 2 0 364.537 3.253 20 0 FGADRP C[C@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1ccc(F)c(Br)c1 ZINC000150952512 495692606 /nfs/dbraw/zinc/69/26/06/495692606.db2.gz VUTWUEKBLJOABB-ZDUSSCGKSA-N 2 0 372.326 3.265 20 0 FGADRP C[C@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1cccc(-c2ccncc2)c1 ZINC000151003574 495708882 /nfs/dbraw/zinc/70/88/82/495708882.db2.gz GBGOURIPATZNGG-SFHVURJKSA-N 2 0 352.526 3.425 20 0 FGADRP Cc1cc(C[NH2+][C@H](C)CCN2CC[NH+](C)CC2)cc(C)c1OC(F)F ZINC000185866534 495756658 /nfs/dbraw/zinc/75/66/58/495756658.db2.gz PHUHBBUSLAZVJG-MRXNPFEDSA-N 2 0 355.473 3.020 20 0 FGADRP COc1ccc(Cl)cc1C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000173962484 495766160 /nfs/dbraw/zinc/76/61/60/495766160.db2.gz MVXOVSWWKFFFHM-UHFFFAOYSA-N 2 0 352.906 3.425 20 0 FGADRP C[C@@H]([NH2+][C@@H](C)CN1CC[NH+](C)CC1)c1ccc(SCC(F)F)cc1 ZINC000154902639 495766850 /nfs/dbraw/zinc/76/68/50/495766850.db2.gz NIACRHOZXNLLHQ-LSDHHAIUSA-N 2 0 357.514 3.330 20 0 FGADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000173993841 495780112 /nfs/dbraw/zinc/78/01/12/495780112.db2.gz OAQJLZMSNLHMKN-SEJPIABJSA-N 2 0 372.557 3.295 20 0 FGADRP C[C@H]1CCCC[C@H]1C[NH+]1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000183015244 495798921 /nfs/dbraw/zinc/79/89/21/495798921.db2.gz XHJDSQWXMGUHKO-HKUYNNGSSA-N 2 0 351.579 3.229 20 0 FGADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](C)C(c1ccccc1)c1ccccc1 ZINC000155047874 495815837 /nfs/dbraw/zinc/81/58/37/495815837.db2.gz GMADOEBROLTMPQ-UXHICEINSA-N 2 0 351.538 3.433 20 0 FGADRP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@@]2(C)Cc2ccccc2)CC1 ZINC000186036958 495830887 /nfs/dbraw/zinc/83/08/87/495830887.db2.gz QLFSTTFGSHEAQV-QFIPXVFZSA-N 2 0 357.542 3.073 20 0 FGADRP C[C@H]([NH2+]Cc1cccnc1-n1cccn1)c1ccc(OCC[NH+](C)C)cc1 ZINC000151441265 495840883 /nfs/dbraw/zinc/84/08/83/495840883.db2.gz ONIKOCFAKBZTEY-KRWDZBQOSA-N 2 0 365.481 3.059 20 0 FGADRP CC[NH+]1CCN(CCCC[NH2+][C@H](c2ccccc2)c2ccccn2)CC1 ZINC000180110238 495861838 /nfs/dbraw/zinc/86/18/38/495861838.db2.gz DSROGKUMTHBUQS-JOCHJYFZSA-N 2 0 352.526 3.178 20 0 FGADRP CCC[NH+]1CCC([N@H+](C)C[C@@H](O)CO[C@@H]2CCCc3ccccc32)CC1 ZINC000177051291 495901814 /nfs/dbraw/zinc/90/18/14/495901814.db2.gz CGPFEWXSQWOYOO-IFMALSPDSA-N 2 0 360.542 3.248 20 0 FGADRP CCN(CC)C(=O)[C@H](C)N(C)C[C@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000580677071 505811469 /nfs/dbraw/zinc/81/14/69/505811469.db2.gz OAQSQQPHOQRUCH-DLBZAZTESA-N 2 0 351.560 3.067 20 0 FGADRP COc1ccccc1-c1ccc(C[NH2+]CCCN2CCC[N@H+](C)CC2)cc1 ZINC000174354729 495925062 /nfs/dbraw/zinc/92/50/62/495925062.db2.gz RJAYIWIHPRIZKJ-UHFFFAOYSA-N 2 0 367.537 3.479 20 0 FGADRP COCOc1ccc(OC)cc1C[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000180274538 495932704 /nfs/dbraw/zinc/93/27/04/495932704.db2.gz UOCZNJIMKNSUKZ-UHFFFAOYSA-N 2 0 371.481 3.079 20 0 FGADRP Cc1ccc([C@@H](CNC(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)[NH+]2CCCC2)cc1 ZINC000174453640 495965549 /nfs/dbraw/zinc/96/55/49/495965549.db2.gz ZHWAWQLSNMQIHH-HLAWJBBLSA-N 2 0 372.557 3.256 20 0 FGADRP CCC[NH+]1CCN(c2ccccc2C[NH2+]CCc2ccccc2O)CC1 ZINC000151856863 495970923 /nfs/dbraw/zinc/97/09/23/495970923.db2.gz QXLMUVJNRCYZRS-UHFFFAOYSA-N 2 0 353.510 3.257 20 0 FGADRP C[C@H](c1ccc(C(C)(C)C)cc1)[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000171656183 495975526 /nfs/dbraw/zinc/97/55/26/495975526.db2.gz GPNJVBVXVKQAFS-QGZVFWFLSA-N 2 0 359.558 3.435 20 0 FGADRP C[C@@H](C[NH2+][C@H](c1ccccc1)c1ccc(F)cc1)CN1CC[NH+](C)CC1 ZINC000177294285 496009318 /nfs/dbraw/zinc/00/93/18/496009318.db2.gz DCFRCKYXSBTTQK-PGRDOPGGSA-N 2 0 355.501 3.388 20 0 FGADRP C[C@@H]1C[C@@H](NC(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)CC[NH2+]1 ZINC000580703976 505818602 /nfs/dbraw/zinc/81/86/02/505818602.db2.gz YEYGBSFAGMXHIH-XLIONFOSSA-N 2 0 358.530 3.002 20 0 FGADRP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)CC3 ZINC000180516198 496028345 /nfs/dbraw/zinc/02/83/45/496028345.db2.gz WXPVVILVVYSQPA-QZTJIDSGSA-N 2 0 355.526 3.160 20 0 FGADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H](C)c2sc(-c3cccnc3)nc2C)CC1 ZINC000155672943 496032369 /nfs/dbraw/zinc/03/23/69/496032369.db2.gz GBJSRLNTEFIFBI-CVEARBPZSA-N 2 0 373.570 3.190 20 0 FGADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H](COC)c2cccc(C(F)(F)F)c2)CC1 ZINC000155677107 496033138 /nfs/dbraw/zinc/03/31/38/496033138.db2.gz YIUCWVMIYOKKAN-MAUKXSAKSA-N 2 0 373.463 3.009 20 0 FGADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H](C)c2ccc(SC)c(OC)c2)CC1 ZINC000155697415 496038984 /nfs/dbraw/zinc/03/89/84/496038984.db2.gz MEFGJNAADCUKAN-CVEARBPZSA-N 2 0 351.560 3.094 20 0 FGADRP C[C@@H]([NH2+]CCN1CCC([NH+](C)C)CC1)c1ccc(Br)cc1 ZINC000177401259 496048003 /nfs/dbraw/zinc/04/80/03/496048003.db2.gz QCWJOXZUSLHRPI-CQSZACIVSA-N 2 0 354.336 3.126 20 0 FGADRP CCc1cccc(OC[C@@H](O)C[NH2+]Cc2ccccc2Cn2ccnc2)c1 ZINC000580709577 505820170 /nfs/dbraw/zinc/82/01/70/505820170.db2.gz GSQZWRUNGHBJQM-NRFANRHFSA-N 2 0 365.477 3.023 20 0 FGADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H](C)c2ccc(OC(F)(F)F)cc2)CC1 ZINC000155745903 496055021 /nfs/dbraw/zinc/05/50/21/496055021.db2.gz PFYZGOOBIUJSOB-LSDHHAIUSA-N 2 0 359.436 3.262 20 0 FGADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1ccc(F)c(Br)c1 ZINC000186580497 496055321 /nfs/dbraw/zinc/05/53/21/496055321.db2.gz ZDVOMUCBEXFGEX-KBPBESRZSA-N 2 0 372.326 3.265 20 0 FGADRP O=C(C[N@H+]1C[C@@H]2CCCC[C@@H]2C1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000177513848 496093340 /nfs/dbraw/zinc/09/33/40/496093340.db2.gz LSYYOHQDOJVLSI-OYRHEFFESA-N 2 0 355.526 3.021 20 0 FGADRP C[NH+](C)[C@H](CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)c1ccc(F)cc1 ZINC000177684290 496158755 /nfs/dbraw/zinc/15/87/55/496158755.db2.gz SIVQNMMYAXQKNB-FXAWDEMLSA-N 2 0 361.505 3.199 20 0 FGADRP CC(C)N1CCC[C@H]([NH+]2CCC(C[N@H+](C)Cc3ccccc3)CC2)C1=O ZINC000177702930 496164888 /nfs/dbraw/zinc/16/48/88/496164888.db2.gz PBAUMZNWDLYMRI-NRFANRHFSA-N 2 0 357.542 3.230 20 0 FGADRP C[NH+](Cc1ccccc1C[N@H+](C)CC1CCOCC1)CC1CCOCC1 ZINC000156146710 496170561 /nfs/dbraw/zinc/17/05/61/496170561.db2.gz RCEXETHAPZLSBT-UHFFFAOYSA-N 2 0 360.542 3.403 20 0 FGADRP Cc1ccc2c(c1)[C@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)[C@H](C)C2 ZINC000180907225 496195047 /nfs/dbraw/zinc/19/50/47/496195047.db2.gz DETPXWLWRCIBSV-VGOFRKELSA-N 2 0 365.521 3.310 20 0 FGADRP O=C(NCCCCC[NH+]1CCCCC1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000161608567 496207080 /nfs/dbraw/zinc/20/70/80/496207080.db2.gz SUSIUKFFRGDNRD-HXUWFJFHSA-N 2 0 364.578 3.303 20 0 FGADRP C[NH+](C)Cc1c2ccccc2oc1C(=O)NCc1ccccc1C[NH+](C)C ZINC000175027774 496215232 /nfs/dbraw/zinc/21/52/32/496215232.db2.gz QVKDYFVKNUULMP-UHFFFAOYSA-N 2 0 365.477 3.486 20 0 FGADRP CC[NH+]1CCC(CC[NH2+]C[C@@H](O)Cc2ccccc2C(F)(F)F)CC1 ZINC000574683983 505831376 /nfs/dbraw/zinc/83/13/76/505831376.db2.gz AUKVFCVWSVKCJO-KRWDZBQOSA-N 2 0 358.448 3.320 20 0 FGADRP CC[NH+]1CCN(Cc2ccccc2C[NH2+][C@@H](C)C2CCSCC2)CC1 ZINC000187016900 496253232 /nfs/dbraw/zinc/25/32/32/496253232.db2.gz NDMYTCSKEMDINM-SFHVURJKSA-N 2 0 361.599 3.445 20 0 FGADRP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N1CCC[NH+](C2CCCC2)CC1 ZINC000181068159 496258533 /nfs/dbraw/zinc/25/85/33/496258533.db2.gz YDEGCAMRUDJXJM-LJQANCHMSA-N 2 0 372.557 3.167 20 0 FGADRP CN(c1ccccc1C[N@H+](C)C[C@@H]1CCCC[C@@H]1O)C1CC[NH+](C)CC1 ZINC000181093009 496267739 /nfs/dbraw/zinc/26/77/39/496267739.db2.gz HJUBYRLHBXQXTD-UGKGYDQZSA-N 2 0 359.558 3.200 20 0 FGADRP Cc1ccc(NC(=O)N2CCC[C@H]2C[NH+]2CCCC2)c(OCC[NH+](C)C)c1 ZINC000172501504 496318722 /nfs/dbraw/zinc/31/87/22/496318722.db2.gz SHWBSCYKOBFGLQ-SFHVURJKSA-N 2 0 374.529 3.028 20 0 FGADRP CCS(=O)(=O)c1c(Cl)cccc1C[NH2+]C[C@H](C)Cn1ccnc1C ZINC000187205041 496337880 /nfs/dbraw/zinc/33/78/80/496337880.db2.gz YZVUUNZCAUOUOK-ZDUSSCGKSA-N 2 0 369.918 3.064 20 0 FGADRP Cc1ccc([C@H](CNC(=O)N2CCC[N@@H+](C3CCCC3)CC2)[NH+](C)C)cc1 ZINC000172568874 496343693 /nfs/dbraw/zinc/34/36/93/496343693.db2.gz CZHRTGHEINWTDS-NRFANRHFSA-N 2 0 372.557 3.258 20 0 FGADRP C[NH+](C)CC[C@H](NC(=O)N1CCC[N@@H+](C2CCCC2)CC1)C(C)(C)C ZINC000172593735 496356388 /nfs/dbraw/zinc/35/63/88/496356388.db2.gz XYWZNZSZEWGBBD-SFHVURJKSA-N 2 0 352.567 3.013 20 0 FGADRP C[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1)c1cccs1 ZINC000156901190 496359575 /nfs/dbraw/zinc/35/95/75/496359575.db2.gz JCYNVROJVUMJKU-YJBOKZPZSA-N 2 0 357.523 3.296 20 0 FGADRP NC(=O)[C@H]1CCC[N@H+](Cc2cccc(C[NH2+][C@@H]3CCc4ccccc43)c2)C1 ZINC000156902788 496360920 /nfs/dbraw/zinc/36/09/20/496360920.db2.gz QWMXMSIPZKUMOS-RBBKRZOGSA-N 2 0 363.505 3.161 20 0 FGADRP Cc1c([C@H](C)[NH2+]CCCN2CC[NH+](C)CC2)cnn1-c1cc(C)ccc1C ZINC000162486765 496361002 /nfs/dbraw/zinc/36/10/02/496361002.db2.gz JTSWKFWTQIQJHM-IBGZPJMESA-N 2 0 369.557 3.086 20 0 FGADRP Cc1ccc(C[N@H+]2CCCN(C(=O)C[NH2+][C@H](C)c3ccccc3)CC2)cc1 ZINC000181376021 496372005 /nfs/dbraw/zinc/37/20/05/496372005.db2.gz NNXPVRLVCQSFCW-HXUWFJFHSA-N 2 0 365.521 3.380 20 0 FGADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)NC1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC000175400310 496374668 /nfs/dbraw/zinc/37/46/68/496374668.db2.gz AKJZZQXPEXTKOU-SEJPIABJSA-N 2 0 372.557 3.341 20 0 FGADRP C[C@H]([NH2+]Cc1cccc(OCC[NH+](C)C)c1)c1ccc([S@](C)=O)cc1 ZINC000162572507 496375615 /nfs/dbraw/zinc/37/56/15/496375615.db2.gz LDMGCMJSWIKJCN-IVCQMTBJSA-N 2 0 360.523 3.215 20 0 FGADRP CC[N@@H+]1CCC[C@@H](CNC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000162779057 496411561 /nfs/dbraw/zinc/41/15/61/496411561.db2.gz GCCBHWLFPFTKEB-FQEVSTJZSA-N 2 0 357.542 3.137 20 0 FGADRP C[N@@H+]1CCC[C@@H]2C[NH+](C[C@H](O)COc3c(Cl)cccc3Cl)CC[C@@H]21 ZINC000162793116 496413798 /nfs/dbraw/zinc/41/37/98/496413798.db2.gz RXZDXCRYJJKZMC-KEYYUXOJSA-N 2 0 373.324 3.149 20 0 FGADRP C[NH+](C)CCNC(=O)c1ccc(C[NH2+]Cc2ccc(F)c(Cl)c2)cc1 ZINC000162796383 496414527 /nfs/dbraw/zinc/41/45/27/496414527.db2.gz YPRYNVNMXNNEMF-UHFFFAOYSA-N 2 0 363.864 3.060 20 0 FGADRP C[C@H]1C[NH+](CCCC[NH2+]C2CC[NH+](C3CCCCC3)CC2)C[C@H](C)O1 ZINC000162842587 496422028 /nfs/dbraw/zinc/42/20/28/496422028.db2.gz AVSMQNSHGPBMGU-OALUTQOASA-N 3 0 351.579 3.263 20 0 FGADRP CC[S@@](=O)[C@@H]1CCC[C@H]([NH2+][C@@H](C)c2cccc(OCC[NH+](C)C)c2)C1 ZINC000162875240 496427386 /nfs/dbraw/zinc/42/73/86/496427386.db2.gz KAZLIBACXNTVAT-KRBQOJCGSA-N 2 0 366.571 3.357 20 0 FGADRP CC[N@H+](Cc1ccc(C(=O)N2CCC[C@@H]3C[NH+](C)CC[C@@H]32)cc1)C1CC1 ZINC000157223982 496432383 /nfs/dbraw/zinc/43/23/83/496432383.db2.gz JWRQXLKRUBQDHF-CTNGQTDRSA-N 2 0 355.526 3.227 20 0 FGADRP Cc1ccc([C@@H](C)NC(=O)CN2CCC[C@H]([NH+]3CCCC3)CC2)cc1C ZINC000157249963 496437511 /nfs/dbraw/zinc/43/75/11/496437511.db2.gz FCCJGLCTQNHIRY-CTNGQTDRSA-N 2 0 357.542 3.431 20 0 FGADRP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)C1 ZINC000175574360 496449001 /nfs/dbraw/zinc/44/90/01/496449001.db2.gz KNQGLJBNYJDWHI-ZACQAIPSSA-N 2 0 364.559 3.057 20 0 FGADRP CSc1ccc([C@H](CNC(=O)[C@@H](C)[NH+]2CCCCCC2)[NH+](C)C)cc1 ZINC000571913301 505845317 /nfs/dbraw/zinc/84/53/17/505845317.db2.gz KDJVYAQHMZSLOR-APWZRJJASA-N 2 0 363.571 3.392 20 0 FGADRP CSc1ccc([C@@H](CNC(=O)[C@@H](C)[NH+]2CCCCCC2)[NH+](C)C)cc1 ZINC000571913305 505845333 /nfs/dbraw/zinc/84/53/33/505845333.db2.gz KDJVYAQHMZSLOR-VQIMIIECSA-N 2 0 363.571 3.392 20 0 FGADRP C[C@@H](CCNC(=O)N1CCC(CC[NH+](C)C)CC1)[N@H+](C)Cc1ccccc1 ZINC000175647253 496482927 /nfs/dbraw/zinc/48/29/27/496482927.db2.gz IKRCVFVPLXRAOP-IBGZPJMESA-N 2 0 374.573 3.270 20 0 FGADRP Cc1ccc([C@H](CNC(=O)NC2CC[NH+](C3CCCC3)CC2)[NH+](C)C)cc1 ZINC000175687461 496500926 /nfs/dbraw/zinc/50/09/26/496500926.db2.gz LQYNUEKEAWQUFP-NRFANRHFSA-N 2 0 372.557 3.304 20 0 FGADRP CCOc1ccccc1NC(=O)[C@H](c1ccccc1)N1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000574757392 505848823 /nfs/dbraw/zinc/84/88/23/505848823.db2.gz GEKAECCXYZYUMT-CDXJDZJCSA-N 2 0 367.493 3.434 20 0 FGADRP C[C@@H]([NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1)c1cc(F)cc(F)c1 ZINC000163522912 496526865 /nfs/dbraw/zinc/52/68/65/496526865.db2.gz DCXNGUFRSNVGSY-CQSZACIVSA-N 2 0 367.484 3.242 20 0 FGADRP COCC[N@H+](C)CCOc1cccc(C[NH2+][C@H]2CC(C)(C)OC2(C)C)c1 ZINC000163646006 496542069 /nfs/dbraw/zinc/54/20/69/496542069.db2.gz KVHCTTJCJCDNRZ-IBGZPJMESA-N 2 0 364.530 3.079 20 0 FGADRP Fc1ccc(CC[NH+]2CCC(N[C@@H]3CC[N@@H+](C4CCCC4)C3)CC2)cc1 ZINC000153732065 496561845 /nfs/dbraw/zinc/56/18/45/496561845.db2.gz YSJBQEGRCYMFHR-OAQYLSRUSA-N 2 0 359.533 3.439 20 0 FGADRP CC(C)OCC[NH+]1CCC(NC2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC000157984128 496601581 /nfs/dbraw/zinc/60/15/81/496601581.db2.gz AGXBTIWEICFXTN-UHFFFAOYSA-N 2 0 373.585 3.173 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1ccccc1OC(F)F ZINC000571959906 505855313 /nfs/dbraw/zinc/85/53/13/505855313.db2.gz HUPWSZMXRNRGDW-KRWDZBQOSA-N 2 0 355.473 3.136 20 0 FGADRP C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000158089747 496625405 /nfs/dbraw/zinc/62/54/05/496625405.db2.gz OCXIYGRTKZUUJX-WBVHZDCISA-N 2 0 351.922 3.008 20 0 FGADRP C[C@H](C(=O)NCc1cccc(C[NH+]2CCCC2)c1)[C@@H]([NH3+])c1ccccc1 ZINC000164729075 496629954 /nfs/dbraw/zinc/62/99/54/496629954.db2.gz OBTPWHPNACEQCL-LAUBAEHRSA-N 2 0 351.494 3.235 20 0 FGADRP CC[NH+](CC)Cc1ccccc1C[NH2+][C@H]1CCCN(CC(F)(F)F)C1=O ZINC000158129543 496634370 /nfs/dbraw/zinc/63/43/70/496634370.db2.gz XFCPVFULOQRNRO-KRWDZBQOSA-N 2 0 371.447 3.171 20 0 FGADRP C[C@@H](NC(=O)NCC1(C[NH+](C)C)CCCC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185060842 496641745 /nfs/dbraw/zinc/64/17/45/496641745.db2.gz JBFLBCNSIIQXQP-QZTJIDSGSA-N 2 0 364.578 3.061 20 0 FGADRP C[C@@H](O)C[C@H]1CCC[NH+]1Cc1cccc(C[N@H+]2CCC[C@@H]2C[C@@H](C)O)c1 ZINC000179090813 496671109 /nfs/dbraw/zinc/67/11/09/496671109.db2.gz QGWKHRDSVPNGHR-MCEIDBOGSA-N 2 0 360.542 3.157 20 0 FGADRP CC[NH+](CC)C[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2)C1 ZINC000173422377 496686092 /nfs/dbraw/zinc/68/60/92/496686092.db2.gz DHZJORUGURJMMD-SFTDATJTSA-N 2 0 357.542 3.231 20 0 FGADRP C[NH+](C)Cc1ccnc(NC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)c1 ZINC000182143109 496686845 /nfs/dbraw/zinc/68/68/45/496686845.db2.gz NWLVABFXTLIARZ-UHFFFAOYSA-N 2 0 366.509 3.384 20 0 FGADRP C[C@H](CC(=O)N1CCC(C[N@H+](C)Cc2ccccc2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000167308339 496699720 /nfs/dbraw/zinc/69/97/20/496699720.db2.gz MORPGMHUCYPVBE-DENIHFKCSA-N 2 0 371.569 3.383 20 0 FGADRP CC(C)[C@H](Cc1ccc(F)cc1)[NH2+]Cc1cccnc1N1CC[NH+](C)CC1 ZINC000158486627 496712522 /nfs/dbraw/zinc/71/25/22/496712522.db2.gz ZJEQJNWIRWJEOF-NRFANRHFSA-N 2 0 370.516 3.329 20 0 FGADRP CCc1nc(C)c([C@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CC[C@H](O)C2)s1 ZINC000182273660 496724830 /nfs/dbraw/zinc/72/48/30/496724830.db2.gz OWLNFDXVJPWQED-KSSFIOAISA-N 2 0 359.539 3.431 20 0 FGADRP CC1CC[NH+](Cc2ccc(CNC(=O)N(C)CCC[NH+](C)C)cc2)CC1 ZINC000185319318 496728690 /nfs/dbraw/zinc/72/86/90/496728690.db2.gz IACLJXAJABBJIO-UHFFFAOYSA-N 2 0 360.546 3.012 20 0 FGADRP CCC[C@@H]([NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1)c1cccnc1 ZINC000185322014 496728851 /nfs/dbraw/zinc/72/88/51/496728851.db2.gz MATSJFWUDKMRDC-HXUWFJFHSA-N 2 0 354.498 3.004 20 0 FGADRP CC[NH+](CC)Cc1cccc(CNC(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)c1 ZINC000182316706 496729394 /nfs/dbraw/zinc/72/93/94/496729394.db2.gz TUKDVXHGPUKKTC-LEWJYISDSA-N 2 0 372.557 3.154 20 0 FGADRP C[NH+](C)[C@]1(CN[C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CCSC1 ZINC000580893246 505862839 /nfs/dbraw/zinc/86/28/39/505862839.db2.gz ZFYODAJTLKPZQE-CTNGQTDRSA-N 2 0 359.583 3.211 20 0 FGADRP C[C@@H]([NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1ccc(F)cc1N(C)C ZINC000246964931 496737188 /nfs/dbraw/zinc/73/71/88/496737188.db2.gz JBDDSZQYCCAKJH-BRWVUGGUSA-N 2 0 351.510 3.432 20 0 FGADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H](O)COc2cccc(Cl)c2Cl)[C@H](C)C1 ZINC000246973990 496740408 /nfs/dbraw/zinc/74/04/08/496740408.db2.gz JGZRJZKZGWXTPN-NFAWXSAZSA-N 2 0 361.313 3.053 20 0 FGADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)NCCCC[NH+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000247003850 496748125 /nfs/dbraw/zinc/74/81/25/496748125.db2.gz GXNMOTKQJANWMV-HSALFYBXSA-N 2 0 366.594 3.022 20 0 FGADRP C[C@H]1CN(Cc2ccccn2)CC[C@H]1[NH2+]Cc1cccc(C[NH+](C)C)c1 ZINC000247032808 496757953 /nfs/dbraw/zinc/75/79/53/496757953.db2.gz MHGOGSVOZBZZGM-PGRDOPGGSA-N 2 0 352.526 3.143 20 0 FGADRP CC(C)(C)[NH+]1CCC(NC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000194946167 496770122 /nfs/dbraw/zinc/77/01/22/496770122.db2.gz OTBRDKPCHZNMFS-LJQANCHMSA-N 2 0 357.542 3.278 20 0 FGADRP C[C@H](C(=O)N(C)Cc1cccc(F)c1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000247082880 496775313 /nfs/dbraw/zinc/77/53/13/496775313.db2.gz NJKPAKJPBLFBQY-YLJYHZDGSA-N 2 0 361.505 3.123 20 0 FGADRP CC(C)[N@H+](C)CCC[NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000268768803 496780349 /nfs/dbraw/zinc/78/03/49/496780349.db2.gz OVSFRNWKZGHNDF-UHFFFAOYSA-N 2 0 351.922 3.265 20 0 FGADRP COc1ccc2c(c1)[C@@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)CCC2 ZINC000268789239 496787072 /nfs/dbraw/zinc/78/70/72/496787072.db2.gz FHGFMDBYZWBJNY-NRFANRHFSA-N 2 0 366.509 3.009 20 0 FGADRP Cc1nc(C)c([C@@H](C)[NH2+]CCCN2CCN(c3cc[nH+]cc3)CC2)s1 ZINC000268799050 496790067 /nfs/dbraw/zinc/79/00/67/496790067.db2.gz IUMVNHQJYHNOEA-OAHLLOKOSA-N 2 0 359.543 3.018 20 0 FGADRP CC[N@@H+]1CC[C@H]([NH2+]C2CCN(Cc3ccc(F)c(F)c3)CC2)[C@@H](C)C1 ZINC000247174919 496798269 /nfs/dbraw/zinc/79/82/69/496798269.db2.gz UVIRMCFNZBFFBO-YWZLYKJASA-N 2 0 351.485 3.249 20 0 FGADRP CCN(CCC[NH+](C)C)C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000188522706 496819392 /nfs/dbraw/zinc/81/93/92/496819392.db2.gz JAGWENYXJVUKDG-UHFFFAOYSA-N 2 0 360.546 3.156 20 0 FGADRP C[C@@H]([NH2+]Cc1cccc(-n2cncn2)c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000268933231 496827459 /nfs/dbraw/zinc/82/74/59/496827459.db2.gz RDBNNUFLIJGTLU-QGZVFWFLSA-N 2 0 365.481 3.059 20 0 FGADRP C[C@H]([NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000195134390 496830914 /nfs/dbraw/zinc/83/09/14/496830914.db2.gz PEICGTNEGZFYNA-HKUYNNGSSA-N 2 0 372.534 3.263 20 0 FGADRP C[NH+]1CCC(O)(C[NH2+][C@H]2CCCc3nc(-c4ccccc4)sc32)CC1 ZINC000269051224 496858896 /nfs/dbraw/zinc/85/88/96/496858896.db2.gz RCEUALUUCIHFEZ-INIZCTEOSA-N 2 0 357.523 3.234 20 0 FGADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H](C)c1ccc(OCc2nccn2C)cc1 ZINC000269060782 496861668 /nfs/dbraw/zinc/86/16/68/496861668.db2.gz KBYDXFJOGDKYCH-PXNSSMCTSA-N 2 0 374.529 3.007 20 0 FGADRP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)NCC[C@H](C)[NH+](C)Cc2ccccc2)C1 ZINC000247481582 496868162 /nfs/dbraw/zinc/86/81/62/496868162.db2.gz WDOLHCQNHJMTIR-FPOVZHCZSA-N 2 0 374.573 3.174 20 0 FGADRP CC[C@H](C)[N@H+](C)CCNC(=O)NC[C@H]1CCC[NH+](C)[C@H]1c1cccs1 ZINC000247486042 496869879 /nfs/dbraw/zinc/86/98/79/496869879.db2.gz VFCGRGHEOCGAOW-LZLYRXPVSA-N 2 0 366.575 3.161 20 0 FGADRP C[C@H](C(=O)Nc1nc2ccccc2s1)N1CC[C@@H](C)[C@@H](n2ccnc2)C1 ZINC000247536757 496883096 /nfs/dbraw/zinc/88/30/96/496883096.db2.gz JULSAARRJYKMRV-FMKPAKJESA-N 2 0 369.494 3.403 20 0 FGADRP C[C@H]1CC[N@H+](CCOc2ccc(NC(=O)CC3C[C@H]4CC[C@@H](C3)[NH2+]4)cc2)C1 ZINC000269256396 496906074 /nfs/dbraw/zinc/90/60/74/496906074.db2.gz JZVPIYQUXPMIAN-KOQQBVACSA-N 2 0 371.525 3.266 20 0 FGADRP C[N@@H+]1CCC[C@@H]2C[NH+](CCc3nc(-c4ccc(Cl)cc4)no3)CC[C@H]21 ZINC000247950095 496931318 /nfs/dbraw/zinc/93/13/18/496931318.db2.gz DYOUAWCECVXPMO-NVXWUHKLSA-N 2 0 360.889 3.349 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2ccc3c(c2)OCCO3)[C@@H](C)C1 ZINC000247970988 496936053 /nfs/dbraw/zinc/93/60/53/496936053.db2.gz JIGQGAYWRWDFQX-SCTDSRPQSA-N 2 0 362.514 3.245 20 0 FGADRP Cc1cccc(NC[C@@H]2CC[N@@H+]([C@@H]3CCc4ccccc4NC3=O)C2)[nH+]1 ZINC000192034480 496969199 /nfs/dbraw/zinc/96/91/99/496969199.db2.gz HEQKBBJHNWOEGI-QFBILLFUSA-N 2 0 350.466 3.077 20 0 FGADRP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)c2sccc2C[NH+](C)C)CC1 ZINC000269592495 496974581 /nfs/dbraw/zinc/97/45/81/496974581.db2.gz CSMJXGJQISTUAI-HNNXBMFYSA-N 2 0 372.538 3.160 20 0 FGADRP Fc1ccccc1-c1noc(CN2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)n1 ZINC000189126757 497015963 /nfs/dbraw/zinc/01/59/63/497015963.db2.gz XQXKMJLAQHSQCZ-KDOFPFPSSA-N 2 0 356.445 3.324 20 0 FGADRP COc1ccc2c(c1)[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1)CC2 ZINC000248462199 497020118 /nfs/dbraw/zinc/02/01/18/497020118.db2.gz YCYINRHXEIOXJY-KNQAVFIVSA-N 2 0 352.478 3.039 20 0 FGADRP Cc1ccc(C)c(OC[C@H](O)C[NH2+][C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000248589105 497049214 /nfs/dbraw/zinc/04/92/14/497049214.db2.gz QSQBPAJJLIGCDS-IRFCIJBXSA-N 2 0 360.542 3.286 20 0 FGADRP C[NH+](C)Cc1c2ccccc2oc1C(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000270066679 497051407 /nfs/dbraw/zinc/05/14/07/497051407.db2.gz GHLKIRPRSABILR-QGZVFWFLSA-N 2 0 369.509 3.298 20 0 FGADRP CC[NH+](CC)Cc1ccc(CNC(=O)NC[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000226557648 497084133 /nfs/dbraw/zinc/08/41/33/497084133.db2.gz XQBPVHDRDDOCLM-RTBURBONSA-N 2 0 374.573 3.448 20 0 FGADRP CC(C)C1CCC([NH+]2CCN(C(=O)CC3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)CC1 ZINC000236595559 497119473 /nfs/dbraw/zinc/11/94/73/497119473.db2.gz NNRVRSZFKWLEAF-BWQRXAFVSA-N 2 0 361.574 3.266 20 0 FGADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)N[C@@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21 ZINC000274647495 497137798 /nfs/dbraw/zinc/13/77/98/497137798.db2.gz CFJIBCYWAREWIX-FUHWJXTLSA-N 2 0 373.541 3.258 20 0 FGADRP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@@](C)([NH3+])c2ccccc2)CC1 ZINC000192529577 497141742 /nfs/dbraw/zinc/14/17/42/497141742.db2.gz FZYGUURJXPNFTG-VGSWGCGISA-N 2 0 351.494 3.202 20 0 FGADRP C[C@@]([NH3+])(C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccccc1 ZINC000192533002 497142611 /nfs/dbraw/zinc/14/26/11/497142611.db2.gz LIZVGAPWMYOATD-VYTWWXLVSA-N 2 0 363.505 3.172 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)[C@@H]1[NH2+]CCc2ccccc21)c1ccccc1 ZINC000236830867 497153606 /nfs/dbraw/zinc/15/36/06/497153606.db2.gz XPNNOECHQOYFHW-LEWJYISDSA-N 2 0 351.494 3.073 20 0 FGADRP COc1ccc([C@H](C)[NH2+]CC2CC[NH+](C3CC3)CC2)cc1Cn1cccn1 ZINC000278572893 497156025 /nfs/dbraw/zinc/15/60/25/497156025.db2.gz XNTXNHJAMZJVIK-KRWDZBQOSA-N 2 0 368.525 3.465 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)C[C@@H](C)[C@@H]1CCC[NH2+]C1)Cc1ccccc1 ZINC000236876929 497161154 /nfs/dbraw/zinc/16/11/54/497161154.db2.gz YXWSCZMSYNEZDI-NRSPTQNISA-N 2 0 359.558 3.082 20 0 FGADRP CC[NH+](CC)CCOc1ccccc1NC(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000236875730 497161198 /nfs/dbraw/zinc/16/11/98/497161198.db2.gz AOFWDLSFHZRGDI-AYHJJNSGSA-N 2 0 359.514 3.266 20 0 FGADRP CC[C@@H](CNC(=O)C[C@@H]([NH3+])c1ccccc1)[N@@H+]1CCc2ccccc2C1 ZINC000236958874 497172854 /nfs/dbraw/zinc/17/28/54/497172854.db2.gz DASZNZAOKZFXOC-LEWJYISDSA-N 2 0 351.494 3.030 20 0 FGADRP C[NH+](C)CCn1ccc2ccc(NC(=O)C[C@H]([NH3+])c3ccccc3)cc21 ZINC000237000139 497178569 /nfs/dbraw/zinc/17/85/69/497178569.db2.gz VXLAGDMHSVJIGD-IBGZPJMESA-N 2 0 350.466 3.232 20 0 FGADRP C[C@H]([NH2+][C@H]1CCN(c2ccccn2)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274866806 497186494 /nfs/dbraw/zinc/18/64/94/497186494.db2.gz DZQRWJGZMZKCRB-TYPHKJRUSA-N 2 0 350.510 3.161 20 0 FGADRP CC(C)C(=O)N1CCC([NH2+][C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000274904693 497196380 /nfs/dbraw/zinc/19/63/80/497196380.db2.gz LYCATWSQHTVCOE-QUCCMNQESA-N 2 0 357.542 3.134 20 0 FGADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CC[C@H](Oc3cccc(Cl)c3)C2)CC1 ZINC000192779242 497211923 /nfs/dbraw/zinc/21/19/23/497211923.db2.gz BFUCTRHHNCGDSO-FQEVSTJZSA-N 2 0 365.949 3.209 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(C[NH+]3CCCCC3)cc2)[C@@H](C)C1 ZINC000265946154 497214638 /nfs/dbraw/zinc/21/46/38/497214638.db2.gz JQMGSCIQJIHHTF-RXVVDRJESA-N 2 0 357.542 3.475 20 0 FGADRP C[C@@H]1CCCC[NH+]1CCCCNC(=O)NCCCC[N@H+]1CCC[C@H](C)C1 ZINC000249517735 497216356 /nfs/dbraw/zinc/21/63/56/497216356.db2.gz HJXGSGSMTZTNPJ-VQTJNVASSA-N 2 0 366.594 3.452 20 0 FGADRP Cc1cc(NC(=O)C[C@H](C)C2CC[NH2+]CC2)ccc1OCC[NH+]1CCCC1 ZINC000237372438 497228026 /nfs/dbraw/zinc/22/80/26/497228026.db2.gz GUXYUWQMOLZVJT-KRWDZBQOSA-N 2 0 373.541 3.434 20 0 FGADRP Cc1ccccc1C[NH+]1CCC(NC(=O)[C@@H](C)[C@@H]([NH3+])c2ccccc2)CC1 ZINC000237427131 497235377 /nfs/dbraw/zinc/23/53/77/497235377.db2.gz OEWYWIWWOOZMSH-PGRDOPGGSA-N 2 0 365.521 3.412 20 0 FGADRP C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)[C@@H]([NH3+])c3ccccc3)cc2)C1 ZINC000237475910 497241806 /nfs/dbraw/zinc/24/18/06/497241806.db2.gz CDXRCRYCTMQLJI-UTKZUKDTSA-N 2 0 351.494 3.235 20 0 FGADRP C[C@]1(C(=O)NCCCC[NH+]2CCC(Cc3ccccc3)CC2)CCC[NH2+]C1 ZINC000237550839 497254145 /nfs/dbraw/zinc/25/41/45/497254145.db2.gz BUXQYUAUJLYXRD-QHCPKHFHSA-N 2 0 371.569 3.227 20 0 FGADRP C[C@H](CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)C1CC[NH2+]CC1 ZINC000237573446 497257362 /nfs/dbraw/zinc/25/73/62/497257362.db2.gz HXYOJEJKEFOHFE-MRXNPFEDSA-N 2 0 361.555 3.200 20 0 FGADRP CN(c1ccccc1C[NH+]1CCC(c2ncc[nH]2)CC1)C1CC[NH+](C)CC1 ZINC000271214763 497293300 /nfs/dbraw/zinc/29/33/00/497293300.db2.gz WVGTUNJNWKRKGG-UHFFFAOYSA-N 2 0 367.541 3.320 20 0 FGADRP CC(C)[NH+]1CCN(C2CC[NH+](Cc3ccc4ncccc4c3)CC2)CC1 ZINC000271217917 497294082 /nfs/dbraw/zinc/29/40/82/497294082.db2.gz NUHRWJGMOWENCX-UHFFFAOYSA-N 2 0 352.526 3.225 20 0 FGADRP C[NH+]1CCC(C[NH2+]CCCc2ccc3c(c2)CCO3)(N2CCCCC2)CC1 ZINC000193299698 497343641 /nfs/dbraw/zinc/34/36/41/497343641.db2.gz HQQPLHWSHOYZPZ-UHFFFAOYSA-N 2 0 371.569 3.094 20 0 FGADRP COCc1cc([C@@H](C)[NH2+]Cc2ccnc(OCC[NH+](C)C)c2)ccc1OC ZINC000271430005 497347212 /nfs/dbraw/zinc/34/72/12/497347212.db2.gz DCMHXFCUWUQCJE-MRXNPFEDSA-N 2 0 373.497 3.028 20 0 FGADRP CC[N@@H+]1CC[C@@H](N(C)CC(=O)Nc2cccc(C(F)(F)F)c2)[C@@H](C)C1 ZINC000245426322 497399520 /nfs/dbraw/zinc/39/95/20/497399520.db2.gz LFWYIVGPKRMJCY-XJKSGUPXSA-N 2 0 357.420 3.306 20 0 FGADRP CCC[N@H+](C)C[C@@H]1CCN([C@@H](C)C(=O)N2CCC[C@H]2c2cccs2)C1 ZINC000245433791 497403769 /nfs/dbraw/zinc/40/37/69/497403769.db2.gz PJXNPTGPNAHFBX-BZSNNMDCSA-N 2 0 363.571 3.464 20 0 FGADRP CC1CC[NH+](CCCCNC(=O)Nc2ccccc2CC[NH+](C)C)CC1 ZINC000275693474 497405559 /nfs/dbraw/zinc/40/55/59/497405559.db2.gz ROLMTZXRCYZYRF-UHFFFAOYSA-N 2 0 360.546 3.424 20 0 FGADRP Cc1ccc([C@@H]([NH3+])C(=O)N(C)C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000261593294 497415545 /nfs/dbraw/zinc/41/55/45/497415545.db2.gz MWSXTJITVVTNPP-OAQYLSRUSA-N 2 0 351.494 3.118 20 0 FGADRP C[C@H](C(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]([NH3+])c1ccccc1 ZINC000261573059 497415758 /nfs/dbraw/zinc/41/57/58/497415758.db2.gz APSJUSOSTPLNCI-DZFGPLHGSA-N 2 0 351.494 3.055 20 0 FGADRP C[C@H](NC(=O)[C@H]([NH3+])CC1CCCCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261585063 497415962 /nfs/dbraw/zinc/41/59/62/497415962.db2.gz IFYJXGGEBCJGFN-IOMROCGXSA-N 2 0 357.542 3.311 20 0 FGADRP O=C(NC[C@@H]1CCCN(Cc2cc(Cl)ccc2Cl)C1)[C@H]1CCC[NH2+]1 ZINC000261626345 497422421 /nfs/dbraw/zinc/42/24/21/497422421.db2.gz GSPIFMSELBLGGN-SUMWQHHRSA-N 2 0 370.324 3.074 20 0 FGADRP C[C@H](C(=O)Nc1ccc(OCc2ccccc2)cc1)N1CC[C@](C)(C[NH3+])C1 ZINC000261636946 497424644 /nfs/dbraw/zinc/42/46/44/497424644.db2.gz FWQBAGMOTMCDDZ-VGOFRKELSA-N 2 0 367.493 3.263 20 0 FGADRP FC(F)(F)Cn1ccnc1CN1CC[NH2+]C[C@H]1c1cccc(Cl)c1 ZINC000261645733 497426364 /nfs/dbraw/zinc/42/63/64/497426364.db2.gz GUIXOHMVIUMSGY-AWEZNQCLSA-N 2 0 358.795 3.245 20 0 FGADRP [NH3+]C[C@@H]1CN(C(=O)c2cccc(C[NH+]3CCCC3)c2)C[C@H]1c1ccccc1 ZINC000261678774 497432120 /nfs/dbraw/zinc/43/21/20/497432120.db2.gz IFSIWEALWLIZSG-YADHBBJMSA-N 2 0 363.505 3.097 20 0 FGADRP C[C@]1(C[NH3+])CC[N@H+](CCC(=O)Nc2ccc(Oc3ccccc3)cc2)C1 ZINC000261702844 497436885 /nfs/dbraw/zinc/43/68/85/497436885.db2.gz LQUQOQBHQMJFBJ-OAQYLSRUSA-N 2 0 353.466 3.478 20 0 FGADRP Cn1ccnc1CN(Cc1cc2ccccc2o1)[C@@H]1CC12CC[NH2+]CC2 ZINC000261745285 497443486 /nfs/dbraw/zinc/44/34/86/497443486.db2.gz KTKRXITXDXPMNZ-LJQANCHMSA-N 2 0 350.466 3.311 20 0 FGADRP C[NH+](CCCCC[N@@H+](C)C[C@H]1CCCC[C@H]1O)C[C@@H]1CCCC[C@@H]1O ZINC000245552439 497452874 /nfs/dbraw/zinc/45/28/74/497452874.db2.gz QLTPCUJDGOWDSD-FXELSEDVSA-N 2 0 354.579 3.123 20 0 FGADRP C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]C[C@H]1COC2(CCCCCC2)O1 ZINC000245555979 497453929 /nfs/dbraw/zinc/45/39/29/497453929.db2.gz CYWOQMTVTHZTGC-GIVPXCGWSA-N 2 0 373.541 3.348 20 0 FGADRP COc1ccc(C(=O)Nc2cccc(C[NH2+]CC3=CC[N@H+](C)CC3)c2)cc1 ZINC000271839342 497465964 /nfs/dbraw/zinc/46/59/64/497465964.db2.gz QJXRRBZAPXLUIT-UHFFFAOYSA-N 2 0 365.477 3.299 20 0 FGADRP C[C@@]1(CN2CCC[N@H+](Cc3ccc(C(F)(F)F)cc3)CC2)CC[NH2+]C1 ZINC000261884139 497467776 /nfs/dbraw/zinc/46/77/76/497467776.db2.gz ROIDENKPZPJJHF-GOSISDBHSA-N 2 0 355.448 3.213 20 0 FGADRP C[NH2+]CCC1CC[NH+]([C@@H](C)C(=O)Nc2ccc(C(F)(F)F)cc2)CC1 ZINC000261973787 497484855 /nfs/dbraw/zinc/48/48/55/497484855.db2.gz FDHYQVVOAYCDJQ-ZDUSSCGKSA-N 2 0 357.420 3.354 20 0 FGADRP C[NH2+]CCC1CC[NH+](CC(=O)N[C@@H](C)c2ccc(CC(C)C)cc2)CC1 ZINC000262000519 497490513 /nfs/dbraw/zinc/49/05/13/497490513.db2.gz PPJCECJBTDNUOJ-SFHVURJKSA-N 2 0 359.558 3.384 20 0 FGADRP CC(C)(C)N1C[C@@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1=O ZINC000245681759 497499831 /nfs/dbraw/zinc/49/98/31/497499831.db2.gz JAPXEFKGTJDIBG-HAGHYFMRSA-N 2 0 355.526 3.171 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+] ZINC000262231817 497526957 /nfs/dbraw/zinc/52/69/57/497526957.db2.gz GXECRVLYAWGMDS-FXTMCPBRSA-N 2 0 369.553 3.167 20 0 FGADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H]2CCc3ccc(Br)cc32)CC1 ZINC000193974680 497537094 /nfs/dbraw/zinc/53/70/94/497537094.db2.gz ZGILFXFTIUEKIA-KDOFPFPSSA-N 2 0 366.347 3.052 20 0 FGADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](C)CCc1ccc(C(F)(F)F)cc1 ZINC000193982651 497538587 /nfs/dbraw/zinc/53/85/87/497538587.db2.gz AJQJGFWCIRPGNY-JKSUJKDBSA-N 2 0 357.464 3.252 20 0 FGADRP CCN1CC[C@@H](NC(=O)[C@H]2CC[NH2+][C@@H](C)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000262363995 497545150 /nfs/dbraw/zinc/54/51/50/497545150.db2.gz JAEMOBAYGVXDDE-KYABYICQSA-N 2 0 367.896 3.119 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)[C@H](C)C1C[NH2+]C1)c1ccc(C(F)(F)F)cc1 ZINC000262378325 497547086 /nfs/dbraw/zinc/54/70/86/497547086.db2.gz MRIOSSFNYYZOPT-CXAGYDPISA-N 2 0 371.447 3.060 20 0 FGADRP OC1CC[NH+](Cc2ccc(C[NH2+][C@@H]3[C@H]4CCO[C@H]4C34CCCC4)cc2)CC1 ZINC000194030165 497552771 /nfs/dbraw/zinc/55/27/71/497552771.db2.gz RLWMDTLXLGEELY-YPAWHYETSA-N 2 0 370.537 3.081 20 0 FGADRP C[C@H]1CC[N@H+](CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)C[C@H]1C ZINC000245890348 497561811 /nfs/dbraw/zinc/56/18/11/497561811.db2.gz JNRZNKJDOGMDRH-DLBZAZTESA-N 2 0 361.555 3.152 20 0 FGADRP C[C@H]([NH2+]CCN1CCC([NH+](C)C)CC1)c1cc(Br)cs1 ZINC000194068681 497563104 /nfs/dbraw/zinc/56/31/04/497563104.db2.gz UIYSHVWQJRARJH-LBPRGKRZSA-N 2 0 360.365 3.187 20 0 FGADRP CC(=O)N1CCC[C@H](C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000279860035 497566957 /nfs/dbraw/zinc/56/69/57/497566957.db2.gz SMWJTAVAQBOAOX-WZYRSQIMSA-N 2 0 369.553 3.135 20 0 FGADRP Cn1nncc1C[NH2+]Cc1ccccc1-c1ccc(C[NH+]2CCCC2)cc1 ZINC000267509668 497569513 /nfs/dbraw/zinc/56/95/13/497569513.db2.gz JODGCFNEPWHVTN-UHFFFAOYSA-N 2 0 361.493 3.368 20 0 FGADRP C[C@@H](NC(=O)c1sccc1C[NH+](C)C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272243537 497574668 /nfs/dbraw/zinc/57/46/68/497574668.db2.gz HAVOOSKRZRCXMG-AEFFLSMTSA-N 2 0 371.550 3.450 20 0 FGADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)NC[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000194184764 497596960 /nfs/dbraw/zinc/59/69/60/497596960.db2.gz YTTQYTTYBLZRCV-LEWJYISDSA-N 2 0 372.557 3.072 20 0 FGADRP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)CC3 ZINC000246039025 497602160 /nfs/dbraw/zinc/60/21/60/497602160.db2.gz WXPVVILVVYSQPA-MSOLQXFVSA-N 2 0 355.526 3.160 20 0 FGADRP O[C@@H](Cc1ccc(C(F)(F)F)cc1)C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000246085431 497615959 /nfs/dbraw/zinc/61/59/59/497615959.db2.gz HNDQDLCAOOIZNH-HKUYNNGSSA-N 2 0 370.459 3.417 20 0 FGADRP CN(c1ccccc1C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1)C1CC[NH+](C)CC1 ZINC000246100578 497621786 /nfs/dbraw/zinc/62/17/86/497621786.db2.gz JFIKMAMSFNIGDP-UGKGYDQZSA-N 3 0 370.585 3.133 20 0 FGADRP CC1CC[NH+]([C@H](CNC(=O)C2CC[NH+](C3CC3)CC2)c2ccccc2)CC1 ZINC000194366919 497645012 /nfs/dbraw/zinc/64/50/12/497645012.db2.gz RNYCZJAVHVTJRM-JOCHJYFZSA-N 2 0 369.553 3.450 20 0 FGADRP CCN1CC[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H](O)CO[C@H]1CCCc2ccccc21 ZINC000246192894 497655010 /nfs/dbraw/zinc/65/50/10/497655010.db2.gz VUGBDACYZFRVEG-AQCRLBJHSA-N 2 0 358.526 3.000 20 0 FGADRP [NH3+][C@@H](CC(=O)N(Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2)c1ccccc1 ZINC000262966937 497668312 /nfs/dbraw/zinc/66/83/12/497668312.db2.gz REBSSZFJPNTBRJ-RBUKOAKNSA-N 2 0 369.534 3.309 20 0 FGADRP Brc1cccc(N2CC[C@H]([NH2+][C@H]3CC[N@@H+]4CCC[C@H]4C3)C2)c1 ZINC000268144583 497686290 /nfs/dbraw/zinc/68/62/90/497686290.db2.gz QLYRXNKTUQVXHP-BQFCYCMXSA-N 2 0 364.331 3.244 20 0 FGADRP CC(C)COC[C@H](O)C[NH2+]CC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000575117027 505924355 /nfs/dbraw/zinc/92/43/55/505924355.db2.gz WYVABKJZTXFHEL-LJQANCHMSA-N 2 0 368.949 3.175 20 0 FGADRP CCNC(=O)c1cccc(C[NH2+][C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000272704254 497707910 /nfs/dbraw/zinc/70/79/10/497707910.db2.gz ZVHVAFRUBWKGRW-PGRDOPGGSA-N 2 0 365.521 3.437 20 0 FGADRP CCC[N@@H+]1CC[C@H](CNC(=O)N2CCC[C@@H](C[NH+]3CCCC[C@@H]3C)C2)C1 ZINC000246367182 497709665 /nfs/dbraw/zinc/70/96/65/497709665.db2.gz LHLYEDDGIPZLGW-ZCNNSNEGSA-N 2 0 364.578 3.014 20 0 FGADRP C[C@H](C(=O)Nc1ccc(F)c(F)c1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246461516 497742624 /nfs/dbraw/zinc/74/26/24/497742624.db2.gz FLVMBVJWBVJAJI-BIENJYKASA-N 2 0 363.452 3.241 20 0 FGADRP C[C@H](C(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1)[C@H]([NH3+])c1ccccc1 ZINC000263286079 497750332 /nfs/dbraw/zinc/75/03/32/497750332.db2.gz UOYRAHYRBUROBF-ZJOUEHCJSA-N 2 0 357.542 3.293 20 0 FGADRP COc1ccc([C@H](CNC(=O)[C@@H]2CCCC[C@@]2(C)[NH3+])[NH+]2CCCCC2)cc1 ZINC000263293531 497751347 /nfs/dbraw/zinc/75/13/47/497751347.db2.gz VZPCPABEFGIYLO-JAXLGGSGSA-N 2 0 373.541 3.246 20 0 FGADRP CC1CC[NH+](Cc2ccccc2CNC(=O)[C@@H]2CCCC[C@]2(C)[NH3+])CC1 ZINC000263290999 497751497 /nfs/dbraw/zinc/75/14/97/497751497.db2.gz VSMALPCPLAZPHK-UNMCSNQZSA-N 2 0 357.542 3.442 20 0 FGADRP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)[C@H](C[NH3+])c1ccccc1 ZINC000246575069 497779269 /nfs/dbraw/zinc/77/92/69/497779269.db2.gz VIQOEPZTUYJIFZ-PGRDOPGGSA-N 2 0 365.521 3.420 20 0 FGADRP CC[NH+](CC)[C@@H]1CCN(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000246581250 497781568 /nfs/dbraw/zinc/78/15/68/497781568.db2.gz UCMAJBYDBPSIPQ-CEWLAPEOSA-N 2 0 372.557 3.165 20 0 FGADRP C[C@@H]1C[C@H](NC(=O)N(C)C[C@H]2CCC[NH+](C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000246583954 497782403 /nfs/dbraw/zinc/78/24/03/497782403.db2.gz UKGPJZURCCXTCV-HLAWJBBLSA-N 2 0 372.557 3.023 20 0 FGADRP C[C@@H](NC(=O)CN(C)C[C@H]1CCC[N@H+](C)C1)c1ccc(Cl)c(Cl)c1 ZINC000246701715 497801451 /nfs/dbraw/zinc/80/14/51/497801451.db2.gz CADYKBSDCDQZGS-KGLIPLIRSA-N 2 0 372.340 3.444 20 0 FGADRP COc1cc(C)c([C@@H](C)[NH2+]Cc2ccc(N3CC[NH+](C)CC3)nc2)cc1C ZINC000273171420 497806492 /nfs/dbraw/zinc/80/64/92/497806492.db2.gz MMNWYUIOIVYFSP-GOSISDBHSA-N 2 0 368.525 3.310 20 0 FGADRP CC(C)c1ccc([C@@H]([NH3+])CNC(=O)N2CC[C@H]([NH+]3CCCCC3)C2)cc1 ZINC000572263221 505928607 /nfs/dbraw/zinc/92/86/07/505928607.db2.gz PRNLOMNKEAJFRX-PMACEKPBSA-N 2 0 358.530 3.080 20 0 FGADRP CCc1cccc(NC(=[NH2+])NC[C@H]2CCC[N@H+](C)[C@@H]2c2cnn(C)c2)c1 ZINC000364268966 497871792 /nfs/dbraw/zinc/87/17/92/497871792.db2.gz XZVKXQABLVKFEW-APWZRJJASA-N 2 0 354.502 3.002 20 0 FGADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H](C[C@@H]1CCOC1)c1ccc(F)cc1 ZINC000292130261 497891280 /nfs/dbraw/zinc/89/12/80/497891280.db2.gz LMKHXCYQICROED-DBVUQKKJSA-N 2 0 352.494 3.240 20 0 FGADRP C[C@H]1C[C@H](NC(=O)NCc2ccccc2C[NH+]2CCCCCC2)CC[NH2+]1 ZINC000572381059 505955146 /nfs/dbraw/zinc/95/51/46/505955146.db2.gz SJKKWRCKHCGWOT-FXAWDEMLSA-N 2 0 358.530 3.002 20 0 FGADRP CC[NH+]1CCN(Cc2ccccc2C[NH2+][C@@H]2CCOC3(CCC3)C2)CC1 ZINC000296355474 498009774 /nfs/dbraw/zinc/00/97/74/498009774.db2.gz JFPWPXUNRIQKGH-OAQYLSRUSA-N 2 0 357.542 3.015 20 0 FGADRP C[C@@H]([NH2+]CCC(=O)N1CCc2ccccc21)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000285218664 498025748 /nfs/dbraw/zinc/02/57/48/498025748.db2.gz XKUQPDYAFXFGMU-IEBWSBKVSA-N 2 0 355.526 3.208 20 0 FGADRP Cc1nn(-c2cc[nH+]cc2)cc1CN(CC[NH+](C)C)Cc1cccc(F)c1 ZINC000578578929 505971810 /nfs/dbraw/zinc/97/18/10/505971810.db2.gz DDSLOVBEGIXGMI-UHFFFAOYSA-N 2 0 367.472 3.279 20 0 FGADRP COc1cc(C[N@@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)ccc1OC(=O)C1CC1 ZINC000289242797 498075051 /nfs/dbraw/zinc/07/50/51/498075051.db2.gz AASMCPZXDMPLLM-IBGZPJMESA-N 2 0 372.509 3.174 20 0 FGADRP Cc1ccccc1[C@@H]([C@H](C)NC(=O)Nc1cccc2c1CC[NH2+]C2)[NH+](C)C ZINC000572494725 505982690 /nfs/dbraw/zinc/98/26/90/505982690.db2.gz LAXOCYIOZXGKPR-HRAATJIYSA-N 2 0 366.509 3.454 20 0 FGADRP CN1CC[NH+](CC2CC[NH+](CCCCCOc3ccccc3)CC2)CC1 ZINC000289397925 498132203 /nfs/dbraw/zinc/13/22/03/498132203.db2.gz GAPCYPCLKPAVHW-UHFFFAOYSA-N 2 0 359.558 3.195 20 0 FGADRP CC[NH+]1CCN(Cc2ccc(C[NH2+]Cc3cc(C)c(O)c(C)c3)cc2)CC1 ZINC000578631708 505985280 /nfs/dbraw/zinc/98/52/80/505985280.db2.gz ZNYBNBWUZNXQBD-UHFFFAOYSA-N 2 0 367.537 3.436 20 0 FGADRP C[C@@H]([NH2+][C@@H]1CCC(=O)N[C@H]1C(C)(C)C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000285616827 498147778 /nfs/dbraw/zinc/14/77/78/498147778.db2.gz JMAGRZWBBMDALH-WQZMEWCLSA-N 2 0 357.542 3.180 20 0 FGADRP C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)NCC2(C)CC[NH2+]CC2)C1 ZINC000578637566 505986679 /nfs/dbraw/zinc/98/66/79/505986679.db2.gz YNTABDPHYAPAQY-GOSISDBHSA-N 2 0 372.557 3.107 20 0 FGADRP C[C@H](c1cc2ccccc2o1)N(C)C(=O)CN1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000292868223 498176881 /nfs/dbraw/zinc/17/68/81/498176881.db2.gz CYUXMOMRLCWLKE-VGOFRKELSA-N 2 0 369.509 3.370 20 0 FGADRP CCOC(=O)c1csc(CN[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)n1 ZINC000292912843 498194939 /nfs/dbraw/zinc/19/49/39/498194939.db2.gz KXYXWWBXANUGEH-NVXWUHKLSA-N 2 0 373.522 3.320 20 0 FGADRP C[N@@H+]1CCC[C@@H](CNC(=O)CCCC[NH3+])[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000581486898 505999323 /nfs/dbraw/zinc/99/93/23/505999323.db2.gz INBXPRHVAXFWSU-MAUKXSAKSA-N 2 0 371.447 3.334 20 0 FGADRP CC(C)n1cc(C[NH2+]CCCOC2CC[NH+](Cc3ccccc3)CC2)nn1 ZINC000289685759 498247613 /nfs/dbraw/zinc/24/76/13/498247613.db2.gz JUSQJRXMOCKCGD-UHFFFAOYSA-N 2 0 371.529 3.020 20 0 FGADRP [NH3+]C[C@H](Cc1ccccc1)[C@@H]1CCCCN1C(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000365003288 498250559 /nfs/dbraw/zinc/25/05/59/498250559.db2.gz USKSBDIFCIVJRE-XORLYMNSSA-N 2 0 369.553 3.106 20 0 FGADRP COCCC[NH+]1CCC([NH2+][C@H](C)Cc2ccc(OC)c(OC)c2C)CC1 ZINC000286046248 498277266 /nfs/dbraw/zinc/27/72/66/498277266.db2.gz KVGGZWAIDPASBG-MRXNPFEDSA-N 2 0 364.530 3.034 20 0 FGADRP O=C(CC1CC[NH2+]CC1)N(CC[NH+]1CCCC1)Cc1ccc(Cl)cc1 ZINC000572603602 506009165 /nfs/dbraw/zinc/00/91/65/506009165.db2.gz OXBWTCXIBKLMDI-UHFFFAOYSA-N 2 0 363.933 3.154 20 0 FGADRP C[C@@H]1C[C@H](NC(=O)N(C)CCC[NH+]2CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000281867243 498296872 /nfs/dbraw/zinc/29/68/72/498296872.db2.gz MDAKJIORWVIRGM-TZIWHRDSSA-N 2 0 372.557 3.167 20 0 FGADRP COc1ccc([C@H](C)[NH2+]Cc2ccnc(OCC[NH+](C)C)c2)c(C)c1OC ZINC000286147576 498306282 /nfs/dbraw/zinc/30/62/82/498306282.db2.gz ORLXAZQAWWLVJA-INIZCTEOSA-N 2 0 373.497 3.198 20 0 FGADRP O[C@@H](C[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2)CC(F)(F)F ZINC000293349353 498354983 /nfs/dbraw/zinc/35/49/83/498354983.db2.gz NQRQHGRPKSDXJU-QGZVFWFLSA-N 2 0 356.432 3.288 20 0 FGADRP [NH3+]Cc1ccc(CNC(=O)NCC2([NH+]3CCCCC3)CCCCC2)cc1 ZINC000569808516 506020960 /nfs/dbraw/zinc/02/09/60/506020960.db2.gz UITNHKSXCUPHAH-UHFFFAOYSA-N 2 0 358.530 3.133 20 0 FGADRP Cc1cc(-n2ccnc2)ccc1C[N@@H+](C)C1CC[NH+](C2CCOCC2)CC1 ZINC000365252850 498374508 /nfs/dbraw/zinc/37/45/08/498374508.db2.gz CHUSEGCNFPMAAG-UHFFFAOYSA-N 2 0 368.525 3.256 20 0 FGADRP C[C@@H]([NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1ccc(Br)nc1 ZINC000289969644 498375434 /nfs/dbraw/zinc/37/54/34/498375434.db2.gz XJFKWRVNLWFSNH-RBSFLKMASA-N 2 0 370.335 3.384 20 0 FGADRP C[NH+](C)[C@@H](CNC(=O)NC[C@H]1CC[C@H](C[NH3+])CC1)c1ccc(Cl)cc1 ZINC000581597459 506024159 /nfs/dbraw/zinc/02/41/59/506024159.db2.gz ROKPBWISBXHXAE-MPGHIAIKSA-N 2 0 366.937 3.007 20 0 FGADRP C[N@@H+]1CCC[C@@H](CNC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@@H]1c1cccs1 ZINC000361720314 498423698 /nfs/dbraw/zinc/42/36/98/498423698.db2.gz XWDBPLWJUKMTAD-LZYRVKDDSA-N 2 0 361.555 3.168 20 0 FGADRP CCc1noc(C)c1C[N@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000361757928 498426727 /nfs/dbraw/zinc/42/67/27/498426727.db2.gz YEDQQTKLRFMWNX-UHFFFAOYSA-N 2 0 362.562 3.174 20 0 FGADRP OC[C@H]1CCC[N@@H+]1CCCC[NH2+][C@@H]1CCc2sc(Br)cc21 ZINC000293679533 498451664 /nfs/dbraw/zinc/45/16/64/498451664.db2.gz KGXLXRYYACBXMV-TZMCWYRMSA-N 2 0 373.360 3.324 20 0 FGADRP Fc1ccccc1N1CC[C@H](C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000297472975 498462211 /nfs/dbraw/zinc/46/22/11/498462211.db2.gz RKCLNZDMXGLXCC-QGZVFWFLSA-N 2 0 354.473 3.306 20 0 FGADRP Cc1cc(C[N@@H+](C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)c2ccccc2n1 ZINC000362252787 498482369 /nfs/dbraw/zinc/48/23/69/498482369.db2.gz BKRXTOGCGLBJQN-HXUWFJFHSA-N 2 0 352.526 3.144 20 0 FGADRP CN(C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1cc[nH+]c2cc(F)ccc21 ZINC000302440729 498485626 /nfs/dbraw/zinc/48/56/26/498485626.db2.gz NBOBCILTPWDUGA-QFIPXVFZSA-N 2 0 365.452 3.447 20 0 FGADRP C[C@H]([NH2+]C1(CNC(=O)N2CC[C@@H]([NH3+])[C@@H](C)C2)CCCC1)c1ccccc1 ZINC000569911926 506045732 /nfs/dbraw/zinc/04/57/32/506045732.db2.gz FSYBMWQRKVKTIH-JENIJYKNSA-N 2 0 358.530 3.029 20 0 FGADRP CCc1ccccc1NC(=O)C[NH+]1CCC2(C[C@@H]2C[N@H+](C)C2CC2)CC1 ZINC000362616330 498525040 /nfs/dbraw/zinc/52/50/40/498525040.db2.gz LLEFGNQHXCJABN-GOSISDBHSA-N 2 0 355.526 3.384 20 0 FGADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]C[C@@H](O)COc2ccccc2C(F)(F)F)C1 ZINC000575981221 506048427 /nfs/dbraw/zinc/04/84/27/506048427.db2.gz BVKYCKIFHGYPNQ-JKSUJKDBSA-N 2 0 374.447 3.155 20 0 FGADRP CN(C)C[C@@H]([NH2+]C1CCN(CCC(F)(F)F)CC1)c1ccc(F)cc1 ZINC000286854728 498529940 /nfs/dbraw/zinc/52/99/40/498529940.db2.gz AQEPOSFZBBXMLB-QGZVFWFLSA-N 2 0 361.427 3.435 20 0 FGADRP C(CC[N@@H+]1CC[C@@H](C2CCOCC2)C1)C[NH+]1CC[C@H](C2CCOCC2)C1 ZINC000362774562 498551147 /nfs/dbraw/zinc/55/11/47/498551147.db2.gz LMFHPMPXRUFXOB-SZPZYZBQSA-N 2 0 364.574 3.264 20 0 FGADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H]1CCc2sc(Br)cc21 ZINC000293986261 498552773 /nfs/dbraw/zinc/55/27/73/498552773.db2.gz BRYXHNFIKZBJQL-TZMCWYRMSA-N 2 0 372.376 3.114 20 0 FGADRP CCCn1c(C[NH+]2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)nc2ccccc21 ZINC000569941957 506053369 /nfs/dbraw/zinc/05/33/69/506053369.db2.gz IALWZOPOMPHRCN-YLJYHZDGSA-N 2 0 356.514 3.165 20 0 FGADRP O=C(NCCCCC[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)OCc1ccccc1 ZINC000286949691 498564719 /nfs/dbraw/zinc/56/47/19/498564719.db2.gz BNFKVYYSOIUFIW-WOJBJXKFSA-N 2 0 359.514 3.300 20 0 FGADRP Cc1ccc(C[NH+]2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)c(C)c1 ZINC000569969288 506058578 /nfs/dbraw/zinc/05/85/78/506058578.db2.gz XGEUDNZCCNQFQB-UHFFFAOYSA-N 2 0 357.542 3.118 20 0 FGADRP C[N@@H+]1CCN(CC[NH2+][C@@H]2CCc3sc(Br)cc32)CC1(C)C ZINC000294120428 498595238 /nfs/dbraw/zinc/59/52/38/498595238.db2.gz KRKOZNDTYHUMTD-CYBMUJFWSA-N 2 0 372.376 3.114 20 0 FGADRP C[C@H]1C[C@@H](C(=O)N2CCC3(CC[NH+](Cc4ccccc4)C3)CC2)CC[N@@H+]1C ZINC000365686104 498597403 /nfs/dbraw/zinc/59/74/03/498597403.db2.gz JBKIGLHDWQQVDI-FPOVZHCZSA-N 2 0 369.553 3.231 20 0 FGADRP C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000287042847 498604015 /nfs/dbraw/zinc/60/40/15/498604015.db2.gz IXLYJIDQOMXKBT-WIYYLYMNSA-N 2 0 355.526 3.371 20 0 FGADRP COc1ccc(C[NH+](C)C)cc1NC(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000569986330 506062363 /nfs/dbraw/zinc/06/23/63/506062363.db2.gz SZIFAMNFZNAWJS-LJQANCHMSA-N 2 0 367.493 3.217 20 0 FGADRP CC(C)c1ccccc1NC(=O)[C@H](C)[NH+]1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000572859954 506070085 /nfs/dbraw/zinc/07/00/85/506070085.db2.gz VWIBJPAMVWSXTN-LRQRDZAKSA-N 2 0 373.541 3.355 20 0 FGADRP CC[C@@H](C)NC(=O)c1cccc(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000294342572 498663548 /nfs/dbraw/zinc/66/35/48/498663548.db2.gz YQPQGGAJWCYJQL-QGZVFWFLSA-N 2 0 366.509 3.369 20 0 FGADRP COc1ccc([C@H]2[C@H](CNC(=[NH2+])Nc3ccccn3)CCC[N@@H+]2C)cc1 ZINC000363136488 498669271 /nfs/dbraw/zinc/66/92/71/498669271.db2.gz JDNDAWOBSLEOJH-LPHOPBHVSA-N 2 0 353.470 3.110 20 0 FGADRP O=C(c1ccc(-n2ccnc2)nc1)N1CCc2c1cccc2C[NH+]1CCCC1 ZINC000363215393 498708295 /nfs/dbraw/zinc/70/82/95/498708295.db2.gz FBPIPBSRGLJRBU-UHFFFAOYSA-N 2 0 373.460 3.066 20 0 FGADRP C[N@@H+]1CC[C@@H](CNC(=O)CC2CC[NH+](C)CC2)[C@H]1c1cccc(Cl)c1 ZINC000365967030 498716023 /nfs/dbraw/zinc/71/60/23/498716023.db2.gz GASHZTWOVBCMDM-FXAWDEMLSA-N 2 0 363.933 3.181 20 0 FGADRP c1ccc([C@H](C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)N2CCCC2)cc1 ZINC000298392328 498756131 /nfs/dbraw/zinc/75/61/31/498756131.db2.gz GXZKLKUJTLERBY-QFIPXVFZSA-N 2 0 350.510 3.477 20 0 FGADRP C[C@H](NC(=O)CC[C@H]([NH3+])c1ccccc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000312682407 498761724 /nfs/dbraw/zinc/76/17/24/498761724.db2.gz LFWIKXNYFQLQHS-BWAGFHJFSA-N 2 0 365.521 3.493 20 0 FGADRP Cn1nccc1[C@@H]1CCC[C@@H]([NH2+]Cc2ccccc2OCC[NH+](C)C)C1 ZINC000366088529 498769516 /nfs/dbraw/zinc/76/95/16/498769516.db2.gz JJUWAWXORPHFQK-IEBWSBKVSA-N 2 0 356.514 3.177 20 0 FGADRP C[C@@H]1CN(Cc2ccccc2NC(=O)[C@@H]2C[C@H]3CCCC[N@@H+]3C2)C[C@@H](C)O1 ZINC000363354566 498776385 /nfs/dbraw/zinc/77/63/85/498776385.db2.gz CGJNKSJSXPEPPD-HNBVOPMISA-N 2 0 371.525 3.109 20 0 FGADRP CC1(C)C[NH2+]CC[C@H]1NC(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000579094724 506093264 /nfs/dbraw/zinc/09/32/64/506093264.db2.gz GIVHDWCKCSFPMB-LJQANCHMSA-N 2 0 358.530 3.225 20 0 FGADRP CCC[C@H]1C[NH2+]CCN1C(=O)NCc1ccc2c(c1)nc(CC)n2C1CC1 ZINC000579098371 506094268 /nfs/dbraw/zinc/09/42/68/506094268.db2.gz YURDBNHEOIKSJY-KRWDZBQOSA-N 2 0 369.513 3.217 20 0 FGADRP Cc1cn2c(n1)[C@@H](C[NH2+]C1CC[NH+](CCc3ccccc3)CC1)CCC2 ZINC000366213344 498825734 /nfs/dbraw/zinc/82/57/34/498825734.db2.gz YCCIZEBBESZLAY-HXUWFJFHSA-N 2 0 352.526 3.366 20 0 FGADRP c1cc(N2CCC([NH2+]CC3(N4CCSCC4)CCCC3)CC2)cc[nH+]1 ZINC000298606803 498826845 /nfs/dbraw/zinc/82/68/45/498826845.db2.gz ZQUOXHZDDWFCQP-UHFFFAOYSA-N 2 0 360.571 3.002 20 0 FGADRP C[C@@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1cccc(N2CCOC2=O)c1 ZINC000298611492 498828468 /nfs/dbraw/zinc/82/84/68/498828468.db2.gz ZZVUOHIZDLZZIP-MRXNPFEDSA-N 2 0 366.465 3.358 20 0 FGADRP Cc1nn(C)c(N2CCC[N@H+](C)CC2)c1C[NH2+][C@H](C)c1ccc(C)cc1C ZINC000366234039 498834383 /nfs/dbraw/zinc/83/43/83/498834383.db2.gz HYYIOQLUWXQGRL-GOSISDBHSA-N 2 0 369.557 3.338 20 0 FGADRP Cc1ccccc1[C@@H]([NH3+])C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000294916223 498849129 /nfs/dbraw/zinc/84/91/29/498849129.db2.gz CJKHDGMPZPLHSQ-LJQANCHMSA-N 2 0 357.523 3.085 20 0 FGADRP Cn1c2ccc(C[NH2+]C[C@@H]3CC[N@H+](C)[C@H]3c3cccs3)cc2sc1=O ZINC000366275129 498853153 /nfs/dbraw/zinc/85/31/53/498853153.db2.gz ARPZSJMBIVNUHC-KBXCAEBGSA-N 2 0 373.547 3.444 20 0 FGADRP O=C(Nc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1)c1ccncc1 ZINC000581997019 506109521 /nfs/dbraw/zinc/10/95/21/506109521.db2.gz DBYMVKDNSCLAPU-QHAWAJNXSA-N 2 0 364.493 3.344 20 0 FGADRP CCC1(CNC(=O)[C@H]2CC[NH2+][C@@H](C)C2)CC[NH+](Cc2ccccc2)CC1 ZINC000366416184 498916816 /nfs/dbraw/zinc/91/68/16/498916816.db2.gz DSKOAVDZNLORDZ-ICSRJNTNSA-N 2 0 357.542 3.183 20 0 FGADRP CN1CCC([NH+]2CCC(CC[NH2+]Cc3cc(F)ccc3F)CC2)CC1 ZINC000363661749 498930395 /nfs/dbraw/zinc/93/03/95/498930395.db2.gz LAQSATFHKYCYIJ-UHFFFAOYSA-N 2 0 351.485 3.251 20 0 FGADRP CC1(C)CC[C@H]([NH2+][C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)c2ccccc21 ZINC000333280687 498964445 /nfs/dbraw/zinc/96/44/45/498964445.db2.gz MKYQUQFCKMYPNL-ZVDOUQERSA-N 2 0 355.526 3.036 20 0 FGADRP COc1ccc(-c2nc(C[N@H+]3CC[C@H]4C[NH2+]C[C@H]4CC3)cs2)cc1OC ZINC000576279749 506119919 /nfs/dbraw/zinc/11/99/19/506119919.db2.gz HEEYWWHJSDHNCG-IYBDPMFKSA-N 2 0 373.522 3.259 20 0 FGADRP C[C@H]([NH2+][C@H]1CCC[C@@H]([NH3+])C1)c1ccc(Br)cc1OCCCO ZINC000573106515 506120013 /nfs/dbraw/zinc/12/00/13/506120013.db2.gz LEJANZZRZNHUEJ-CFVMTHIKSA-N 2 0 371.319 3.131 20 0 FGADRP Cc1ccc(Br)cc1NC(=O)CC[NH2+][C@@H]1CC[NH2+]CC[C@H]1C ZINC000582056893 506123489 /nfs/dbraw/zinc/12/34/89/506123489.db2.gz ZITKQWLEGHGXMM-UKRRQHHQSA-N 2 0 368.319 3.064 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)N2CC[C@@H]([NH3+])[C@H](C)C2)C1 ZINC000333589264 499037031 /nfs/dbraw/zinc/03/70/31/499037031.db2.gz AWLMECZKYXZPAS-BMQTXXJKSA-N 2 0 372.557 3.043 20 0 FGADRP CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)NCc1ccc2sccc2c1 ZINC000291695883 499038834 /nfs/dbraw/zinc/03/88/34/499038834.db2.gz NCSFPIQGGYYERJ-UHFFFAOYSA-N 2 0 374.554 3.069 20 0 FGADRP COc1ccc(C[NH2+]Cc2ccncc2OCCC[NH+](C)C)cc1Cl ZINC000288500701 499042982 /nfs/dbraw/zinc/04/29/82/499042982.db2.gz HYBDUDVYJDXTGM-UHFFFAOYSA-N 2 0 363.889 3.364 20 0 FGADRP O=S1(=O)CC[C@@H]([NH2+]CCCc2nc3ccccc3[nH]2)c2cccc(F)c21 ZINC000366737773 499055287 /nfs/dbraw/zinc/05/52/87/499055287.db2.gz QQWKRFAIQQKWIB-OAHLLOKOSA-N 2 0 373.453 3.143 20 0 FGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCc2nc(-c3ccccc3)no2)[C@@H](C)C1 ZINC000299471981 499069367 /nfs/dbraw/zinc/06/93/67/499069367.db2.gz YNQFLZAPDCDBAV-PKOBYXMFSA-N 2 0 372.513 3.006 20 0 FGADRP c1ccc(CN2CC[C@H]([NH2+][C@H]3CCO[C@]4(CCOC4)C3)CC23CC3)cc1 ZINC000570279090 506131419 /nfs/dbraw/zinc/13/14/19/506131419.db2.gz FHPIADBECBPRIJ-JAXLGGSGSA-N 2 0 356.510 3.111 20 0 FGADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+][C@@H]2CCC(=O)N[C@H]2C2CC2)CC1 ZINC000366943110 499119552 /nfs/dbraw/zinc/11/95/52/499119552.db2.gz JMBMRURMROHAEI-PELUFGRGSA-N 2 0 355.526 3.076 20 0 FGADRP C[NH+]1CCC2(CC1)C[C@H]([NH2+][C@@H]1Cc3ccccc3[C@H]1O)c1ccccc1O2 ZINC000372533027 499141483 /nfs/dbraw/zinc/14/14/83/499141483.db2.gz SCFUYKJCHCIMPF-RZUBCFFCSA-N 2 0 364.489 3.223 20 0 FGADRP C[C@H](C(=O)NC1CCC(C)CC1)[N@H+](C)C1CCN(Cc2ccncc2)CC1 ZINC000367116840 499151081 /nfs/dbraw/zinc/15/10/81/499151081.db2.gz IQTJPVUBAAADKP-QPIRBTGLSA-N 2 0 372.557 3.061 20 0 FGADRP COc1ccccc1[C@H](C)NC(=O)[C@H](C)[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000367199371 499160537 /nfs/dbraw/zinc/16/05/37/499160537.db2.gz JJSBDNGCNVMEGZ-ROUUACIJSA-N 2 0 373.541 3.069 20 0 FGADRP Cc1ncc([C@@H](C)[NH2+]CCC2CC[NH+](C3CCN(C)CC3)CC2)s1 ZINC000372836021 499182116 /nfs/dbraw/zinc/18/21/16/499182116.db2.gz DYFSUQGMTTUPAD-OAHLLOKOSA-N 2 0 350.576 3.298 20 0 FGADRP CN(c1ccccc1C[N@@H+]1CCC[C@@H](c2ncc[nH]2)C1)C1CC[NH+](C)CC1 ZINC000367423801 499197414 /nfs/dbraw/zinc/19/74/14/499197414.db2.gz WXSCAANZIKZOPN-LJQANCHMSA-N 3 0 367.541 3.320 20 0 FGADRP O=C(NCc1nccn1CCCc1ccccc1)[C@@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC000370241265 499200883 /nfs/dbraw/zinc/20/08/83/499200883.db2.gz CFKVDMJUDNRWEO-UXHICEINSA-N 2 0 366.509 3.007 20 0 FGADRP C[N@@H+]1CCC[C@H](C[NH2+]C[C@H](O)COCc2cccs2)[C@H]1c1ccccc1 ZINC000367482840 499204501 /nfs/dbraw/zinc/20/45/01/499204501.db2.gz IKUSIGFWGDJQEA-SVFBPWRDSA-N 2 0 374.550 3.298 20 0 FGADRP C[NH+](C)Cc1cccc(C(=O)N2CCC[C@H]([NH2+]Cc3ccccc3)C2)c1 ZINC000370386400 499215365 /nfs/dbraw/zinc/21/53/65/499215365.db2.gz LPUADQVYJYKTDY-NRFANRHFSA-N 2 0 351.494 3.143 20 0 FGADRP C[N@@H+]1CC[C@H]([NH2+]Cc2cccc(NC(=O)c3ccco3)c2)[C@@H]2CCC[C@H]21 ZINC000367611328 499217494 /nfs/dbraw/zinc/21/74/94/499217494.db2.gz BQMSNTYGXAQPPV-GBESFXJTSA-N 2 0 353.466 3.494 20 0 FGADRP COc1ccc([C@H](C)[NH2+][C@@H]2CCN(C[C@@H]3CCCO3)C[C@@H]2C)cc1F ZINC000370574277 499232787 /nfs/dbraw/zinc/23/27/87/499232787.db2.gz SPLLQNKLRFLOAV-RIVXBTQJSA-N 2 0 350.478 3.374 20 0 FGADRP C[C@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccc(F)cc1OC(F)F ZINC000370635819 499238088 /nfs/dbraw/zinc/23/80/88/499238088.db2.gz QDKTZORWLCTABU-DZGCQCFKSA-N 2 0 371.447 3.246 20 0 FGADRP CN(C)c1ncccc1CN[C@@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21 ZINC000368161728 499270221 /nfs/dbraw/zinc/27/02/21/499270221.db2.gz XMZGPCJTFRROOM-LJQANCHMSA-N 2 0 366.509 3.225 20 0 FGADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CCCC[C@H]2[C@@H]2C[C@H](C)CC[C@@H]2O)CC1 ZINC000368247493 499278083 /nfs/dbraw/zinc/27/80/83/499278083.db2.gz ZXYQSBKGIRVFAE-MLNNCEHLSA-N 2 0 365.606 3.054 20 0 FGADRP C[C@@H]1C[N@H+](CCOc2cccc3ccccc32)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000371301593 499307349 /nfs/dbraw/zinc/30/73/49/499307349.db2.gz GIUNLJFRXJMONS-KNQAVFIVSA-N 2 0 367.537 3.176 20 0 FGADRP Fc1cc(F)cc(C2CC([NH2+]C3CC[NH+](C[C@H]4CCOC4)CC3)C2)c1 ZINC000368586735 499310627 /nfs/dbraw/zinc/31/06/27/499310627.db2.gz YYIUXSPNYBBKCC-PCVOSPCESA-N 2 0 350.453 3.301 20 0 FGADRP CC(C)[NH+]1CCN([C@H]2CC[N@H+](Cc3c(F)cccc3N3CCCC3)C2)CC1 ZINC000371332168 499311811 /nfs/dbraw/zinc/31/18/11/499311811.db2.gz NLROSYGAASTDBI-IBGZPJMESA-N 2 0 374.548 3.026 20 0 FGADRP COc1ccc2oc(C[N@@H+]3CC[C@@H](N4CC[NH+](C(C)C)CC4)C3)cc2c1 ZINC000371334715 499312212 /nfs/dbraw/zinc/31/22/12/499312212.db2.gz ZAPRSUDUGOEJOF-GOSISDBHSA-N 2 0 357.498 3.042 20 0 FGADRP CC1CC[NH+](C2CCC(NC(=O)N(C)CCC[NH+]3CCCC3)CC2)CC1 ZINC000369172667 499374010 /nfs/dbraw/zinc/37/40/10/499374010.db2.gz BTZZDVCDOPYNTQ-UHFFFAOYSA-N 2 0 364.578 3.157 20 0 FGADRP CCc1nn(C)c(CC)c1C[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000371900518 499376551 /nfs/dbraw/zinc/37/65/51/499376551.db2.gz ZHQIIXFRGCQGKO-UHFFFAOYSA-N 2 0 355.530 3.288 20 0 FGADRP C[C@H](C(=O)NC[C@@H]1CC[N@H+](C)[C@@H]1c1cccs1)[C@@H]([NH3+])c1ccccc1 ZINC000372099331 499399027 /nfs/dbraw/zinc/39/90/27/499399027.db2.gz SZMMAGWYXRNEDC-WQCNXYOZSA-N 2 0 357.523 3.193 20 0 FGADRP CC(C)[N@@H+]1CC[C@H](C[NH2+][C@H](C)CCCCN2C(=O)c3ccccc3C2=O)C1 ZINC000576385706 506145442 /nfs/dbraw/zinc/14/54/42/506145442.db2.gz DLOLNLHFJIOKKH-QZTJIDSGSA-N 2 0 371.525 3.161 20 0 FGADRP CC(C)[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)CCCCN2C(=O)c3ccccc3C2=O)C1 ZINC000576385707 506145453 /nfs/dbraw/zinc/14/54/53/506145453.db2.gz DLOLNLHFJIOKKH-ROUUACIJSA-N 2 0 371.525 3.161 20 0 FGADRP O=C(c1ccc(C[NH+]2CCCC2)cc1)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000372190508 499406967 /nfs/dbraw/zinc/40/69/67/499406967.db2.gz BNNWJBUESZYHAT-IRLDBZIGSA-N 2 0 367.537 3.371 20 0 FGADRP C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@@H]1NCc1ncc(-c2cccc(F)c2)o1 ZINC000372353676 499424026 /nfs/dbraw/zinc/42/40/26/499424026.db2.gz HFBNXDKDFZXFKK-LZQZEXGQSA-N 2 0 373.472 3.460 20 0 FGADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](C[C@H]2CCOc3ccccc32)CC1 ZINC000372410057 499431693 /nfs/dbraw/zinc/43/16/93/499431693.db2.gz OKDMWWVSXOYRIX-HSALFYBXSA-N 2 0 357.542 3.043 20 0 FGADRP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)N2CCCC23CC[NH+](C)CC3)C1 ZINC000372436583 499434701 /nfs/dbraw/zinc/43/47/01/499434701.db2.gz UIXSZKNVXBKOAS-RTBURBONSA-N 2 0 364.578 3.014 20 0 FGADRP CC(C)[NH+](CCCN[C@@H]1CCS(=O)(=O)c2c(F)cccc21)C(C)C ZINC000373447013 499470137 /nfs/dbraw/zinc/47/01/37/499470137.db2.gz AELCOCSZCSRXCG-QGZVFWFLSA-N 2 0 356.507 3.143 20 0 FGADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N2CCC([NH+]3CCC[C@H]3C)CC2)C1 ZINC000378214749 499490857 /nfs/dbraw/zinc/49/08/57/499490857.db2.gz LJSLIOMMYJUSBT-RTBURBONSA-N 2 0 364.578 3.013 20 0 FGADRP C[NH+](C)Cc1c2ccccc2oc1C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000378220186 499491380 /nfs/dbraw/zinc/49/13/80/499491380.db2.gz BPEQZJAKRLROTA-SFHVURJKSA-N 2 0 355.482 3.099 20 0 FGADRP C[C@@H]1C[N@H+](CCCOc2cccc(Cl)c2)CCN1C1CC[NH+](C)CC1 ZINC000378369462 499508202 /nfs/dbraw/zinc/50/82/02/499508202.db2.gz KVZZSQLIYQPNHV-QGZVFWFLSA-N 2 0 365.949 3.209 20 0 FGADRP C[N@H+](C[C@H](O)c1ccc(F)cc1F)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000378540076 499529713 /nfs/dbraw/zinc/52/97/13/499529713.db2.gz PAQULLWJFFRRFT-FQEVSTJZSA-N 2 0 361.436 3.242 20 0 FGADRP C[C@H]([NH2+][C@H]1CCOC2(CCOCC2)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000389156288 499552430 /nfs/dbraw/zinc/55/24/30/499552430.db2.gz YCCWBMHZSDKDEC-JBACZVJFSA-N 2 0 358.526 3.215 20 0 FGADRP Cc1ccnc([C@@H](C)[NH2+]CC2CC[NH+](C[C@H](O)c3ccccc3)CC2)c1 ZINC000375781894 499555217 /nfs/dbraw/zinc/55/52/17/499555217.db2.gz BZPJJCXVVUXXRT-GCJKJVERSA-N 2 0 353.510 3.486 20 0 FGADRP Cc1oc(-c2cccs2)nc1CN1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000375904132 499567136 /nfs/dbraw/zinc/56/71/36/499567136.db2.gz JPVGDHYUDHTPBA-KRWDZBQOSA-N 2 0 374.554 3.312 20 0 FGADRP C[N@@H+]1CC[C@H]([NH2+]CCc2ccc(OCC[NH+]3CCCC3)cc2)[C@@H]2CCC[C@@H]21 ZINC000579336792 506150319 /nfs/dbraw/zinc/15/03/19/506150319.db2.gz XDCVMMCCEDDVJL-VABKMULXSA-N 3 0 371.569 3.166 20 0 FGADRP Cn1nccc1[C@H]1CCC[C@H](Nc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000376080648 499581491 /nfs/dbraw/zinc/58/14/91/499581491.db2.gz KLYBJXLQRJWSOG-HKUYNNGSSA-N 2 0 353.514 3.310 20 0 FGADRP COc1ccc(C[N@H+](C)C2CCN(Cc3ccncc3)CC2)cc1OC ZINC000376342564 499601612 /nfs/dbraw/zinc/60/16/12/499601612.db2.gz YCUSMYQAIUVILS-UHFFFAOYSA-N 2 0 355.482 3.195 20 0 FGADRP CC(C)(C[NH2+]C[C@H](O)COc1ccccc1C(F)(F)F)C[NH+]1CCCC1 ZINC000582176797 506152144 /nfs/dbraw/zinc/15/21/44/506152144.db2.gz MGERQUJNZQEZFB-HNNXBMFYSA-N 2 0 374.447 3.157 20 0 FGADRP O=C(NCC1CC[NH+](C2CC2)CC1)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000376562267 499618975 /nfs/dbraw/zinc/61/89/75/499618975.db2.gz QSLICGBXXVWXKP-LJQANCHMSA-N 2 0 373.516 3.028 20 0 FGADRP CC[C@H]([NH2+][C@@H]1CCN(Cc2ccccn2)C[C@@H]1C)C1(C(=O)OC)CCC1 ZINC000376637546 499624982 /nfs/dbraw/zinc/62/49/82/499624982.db2.gz RXJPLZNPNQZJCO-UHOSZYNNSA-N 2 0 359.514 3.004 20 0 FGADRP CC[NH+](CC)CCN(CCC(F)(F)F)N1C[C@H]([NH+]2CCCC2)C[C@@H]1C ZINC000377057543 499657631 /nfs/dbraw/zinc/65/76/31/499657631.db2.gz QYTWEFDTWKUIEG-DLBZAZTESA-N 2 0 364.500 3.056 20 0 FGADRP COC(=O)c1cc2cc(C[N@@H+]3CCC[C@H](c4nccn4C)C3)ccc2o1 ZINC000377261235 499674793 /nfs/dbraw/zinc/67/47/93/499674793.db2.gz HZDDWPUYXBPEGN-HNNXBMFYSA-N 2 0 353.422 3.333 20 0 FGADRP CC(C)[NH2+]CCCNC(=O)NC[C@@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000570382811 506155428 /nfs/dbraw/zinc/15/54/28/506155428.db2.gz JUCHVRBTRXEZKE-KRWDZBQOSA-N 2 0 366.575 3.208 20 0 FGADRP c1cc(C[NH+]2CCCCC2)cc(C[N@H+]2CCC[C@H](CN3CCOCC3)C2)c1 ZINC000411261259 499718494 /nfs/dbraw/zinc/71/84/94/499718494.db2.gz POAJNKWJMGSQHP-HSZRJFAPSA-N 2 0 371.569 3.217 20 0 FGADRP C[N@H+](Cc1cnc([C@H]2CCCO2)s1)C1CCN(c2cc[nH+]cc2)CC1 ZINC000377692527 499720719 /nfs/dbraw/zinc/72/07/19/499720719.db2.gz JBIKCFSZRZLMAY-GOSISDBHSA-N 2 0 358.511 3.490 20 0 FGADRP Cc1ccc([C@H](CNC(=O)[C@@H]2CCCc3nccn32)[NH+]2CCCC2)cc1 ZINC000377748538 499728150 /nfs/dbraw/zinc/72/81/50/499728150.db2.gz RTEMCVJTAHVUBM-OALUTQOASA-N 2 0 352.482 3.022 20 0 FGADRP O=C1C[C@@H]([C@H]2CCCC[N@@H+]2Cc2ccc(C[NH+]3CCCCC3)cc2)CN1 ZINC000411411061 499736558 /nfs/dbraw/zinc/73/65/58/499736558.db2.gz FOYGWELRLGAZAN-NHCUHLMSSA-N 2 0 355.526 3.163 20 0 FGADRP CC(C)[NH+]1CCC(NC(=O)C[NH2+][C@H]2CCCC[C@H]2Cc2ccccc2)CC1 ZINC000411555291 499762585 /nfs/dbraw/zinc/76/25/85/499762585.db2.gz VPJDHOAWILAJPY-UNMCSNQZSA-N 2 0 371.569 3.367 20 0 FGADRP COc1ccc(C[C@H](C)[NH2+]Cc2ccc(OC3CC[NH+](C)CC3)cc2)cn1 ZINC000414126772 499762768 /nfs/dbraw/zinc/76/27/68/499762768.db2.gz FJKCENONPSLRBH-KRWDZBQOSA-N 2 0 369.509 3.284 20 0 FGADRP CCc1ccc([C@@H]([NH2+]CC2(N3CCOCC3)CC[NH+](C)CC2)C(C)C)cc1 ZINC000414182241 499766696 /nfs/dbraw/zinc/76/66/96/499766696.db2.gz CXVOERSKOOSCTB-QFIPXVFZSA-N 2 0 373.585 3.332 20 0 FGADRP C[C@@H]([NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1)c1ccc(C(C)(C)C)cc1 ZINC000414191207 499767489 /nfs/dbraw/zinc/76/74/89/499767489.db2.gz LETOUYXTDGBJPJ-LJQANCHMSA-N 2 0 373.585 3.431 20 0 FGADRP C[NH+]1CCC(C[NH2+][C@@H]2CCCC[C@@H]2c2ccccc2)(N2CCOCC2)CC1 ZINC000414199808 499768218 /nfs/dbraw/zinc/76/82/18/499768218.db2.gz RLEQLFSENOIBMS-FGZHOGPDSA-N 2 0 371.569 3.099 20 0 FGADRP Cc1ccc2cc([C@H](C)[NH2+]CC3(N4CCOCC4)CC[NH+](C)CC3)oc2c1 ZINC000414204288 499768386 /nfs/dbraw/zinc/76/83/86/499768386.db2.gz WCUVZGGCXGFVBE-SFHVURJKSA-N 2 0 371.525 3.188 20 0 FGADRP NC(=O)C1CC[NH+](Cc2ccc(C[NH2+][C@@H]3CCCC[C@H]3C3CC3)cc2)CC1 ZINC000414346423 499779649 /nfs/dbraw/zinc/77/96/49/499779649.db2.gz VEAQLILYAUOFAT-FCHUYYIVSA-N 2 0 369.553 3.442 20 0 FGADRP C[C@@H](c1ccc(Cl)cc1Cl)[N@H+](C)C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414677140 499819694 /nfs/dbraw/zinc/81/96/94/499819694.db2.gz ONIVOMAZJKUWSG-STQMWFEESA-N 2 0 358.313 3.184 20 0 FGADRP C[N@H+](Cc1ccccc1NC(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)C1CCCCC1 ZINC000414706681 499821431 /nfs/dbraw/zinc/82/14/31/499821431.db2.gz GWPDFLTYIDRMBF-HDICACEKSA-N 2 0 356.514 3.134 20 0 FGADRP Cc1cc(C[NH+]2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)cc(C)c1OC(F)F ZINC000414777635 499829922 /nfs/dbraw/zinc/82/99/22/499829922.db2.gz GAWZXSBDDGPJNB-AEFFLSMTSA-N 2 0 354.441 3.233 20 0 FGADRP C[C@@H]([NH2+]C1CCN(Cc2c(F)cccc2Cl)CC1)[C@H]1CCC[NH2+]C1 ZINC000414853531 499838280 /nfs/dbraw/zinc/83/82/80/499838280.db2.gz KXJXGLVECOPKPH-CABCVRRESA-N 2 0 353.913 3.421 20 0 FGADRP C[C@@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[NH2+]C[C@H]([NH3+])C1CC1 ZINC000414885499 499841461 /nfs/dbraw/zinc/84/14/61/499841461.db2.gz GPRPRJVGSXVBJR-XPTSAGLGSA-N 2 0 363.811 3.403 20 0 FGADRP CCOc1c(Br)cc(C[NH2+]CC2(C)CC[NH2+]CC2)cc1OC ZINC000414899057 499843048 /nfs/dbraw/zinc/84/30/48/499843048.db2.gz GSIVQOUDIJTEGM-UHFFFAOYSA-N 2 0 371.319 3.336 20 0 FGADRP C[C@@]1(C[NH2+]C2CCN(Cc3c(F)cccc3Cl)CC2)CCC[NH2+]C1 ZINC000414904396 499843327 /nfs/dbraw/zinc/84/33/27/499843327.db2.gz JXXGZSOGABEOLE-LJQANCHMSA-N 2 0 353.913 3.423 20 0 FGADRP C[C@H]1CC[NH2+]C[C@H]1NCc1ccc(Br)c(Br)c1 ZINC000414931337 499845671 /nfs/dbraw/zinc/84/56/71/499845671.db2.gz PXIVNIPQNBLEBX-TVQRCGJNSA-N 2 0 362.109 3.299 20 0 FGADRP Cc1cccn2cc(COc3ccc(C[NH2+][C@H]4CC[NH2+][C@@H](C)C4)cc3)nc12 ZINC000414943417 499847261 /nfs/dbraw/zinc/84/72/61/499847261.db2.gz FOBPAKGTPVPSRF-HKUYNNGSSA-N 2 0 364.493 3.452 20 0 FGADRP O=C(NCCC[C@@H]1CCC[NH2+]1)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000414964677 499849587 /nfs/dbraw/zinc/84/95/87/499849587.db2.gz MRGPBAWCGSLUTC-IBGZPJMESA-N 2 0 358.530 3.369 20 0 FGADRP Brc1cccc(-c2c[nH]c(C[NH2+]CCC[C@@H]3CCC[NH2+]3)n2)c1 ZINC000414967102 499849974 /nfs/dbraw/zinc/84/99/74/499849974.db2.gz GVPDIHBMMHSDRZ-OAHLLOKOSA-N 2 0 363.303 3.461 20 0 FGADRP COCC1(C[NH2+]Cc2cn(-c3ccccc3)nc2C(C)(C)C)CC[NH2+]CC1 ZINC000414974194 499850394 /nfs/dbraw/zinc/85/03/94/499850394.db2.gz LZTZRJUCQLOOPW-UHFFFAOYSA-N 2 0 370.541 3.276 20 0 FGADRP FC(F)(F)[C@@H](C[NH2+]Cc1cc(-c2ccccc2)cs1)N1CC[NH2+]CC1 ZINC000414997720 499853193 /nfs/dbraw/zinc/85/31/93/499853193.db2.gz YXXBCWYTTOCBML-QGZVFWFLSA-N 2 0 369.456 3.341 20 0 FGADRP COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]C[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000414997143 499853250 /nfs/dbraw/zinc/85/32/50/499853250.db2.gz HEAQGWMMJVORND-GZBFAFLISA-N 2 0 353.894 3.173 20 0 FGADRP CCOc1cc(C[NH2+]C[C@H]2CCC[C@@H]([NH3+])C2)cc(Br)c1OC ZINC000415004183 499854046 /nfs/dbraw/zinc/85/40/46/499854046.db2.gz XTUWEZKLDWLNJZ-GXTWGEPZSA-N 2 0 371.319 3.464 20 0 FGADRP C[C@@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000415009935 499854532 /nfs/dbraw/zinc/85/45/32/499854532.db2.gz OQNBJFPHNKAVPB-UCLAIMLFSA-N 2 0 363.933 3.055 20 0 FGADRP C[C@@H]([NH3+])[C@H](C)[NH2+][C@H](C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000415020139 499855670 /nfs/dbraw/zinc/85/56/70/499855670.db2.gz SLOPWIHFTPRIET-BBBLOLIVSA-N 2 0 351.800 3.401 20 0 FGADRP C[C@H](CCC[NH3+])[NH2+]Cc1ccc(I)cc1Cl ZINC000415027697 499856210 /nfs/dbraw/zinc/85/62/10/499856210.db2.gz XEQAKJGVMZYRSX-SECBINFHSA-N 2 0 352.647 3.162 20 0 FGADRP CCOc1cc(C[NH2+][C@H]2CC[C@@H](C[NH3+])C2)cc(Br)c1OC ZINC000415049769 499858043 /nfs/dbraw/zinc/85/80/43/499858043.db2.gz YCWDCVRIZBQVPL-YPMHNXCESA-N 2 0 357.292 3.073 20 0 FGADRP CCOc1cc(C[N@@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)ccc1OCC(F)(F)F ZINC000415054467 499858804 /nfs/dbraw/zinc/85/88/04/499858804.db2.gz MBWSSFORDYRPKK-CXAGYDPISA-N 2 0 360.420 3.443 20 0 FGADRP Cc1cc(Br)ccc1C[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000415055814 499859033 /nfs/dbraw/zinc/85/90/33/499859033.db2.gz OWOKFLOMTKSFKJ-UHFFFAOYSA-N 2 0 366.347 3.064 20 0 FGADRP COc1ccc2cc(C[NH2+]C3CCC([NH+]4CCNCC4)CC3)ccc2c1 ZINC000415057619 499859422 /nfs/dbraw/zinc/85/94/22/499859422.db2.gz RUMMVQIPLDJDOX-UHFFFAOYSA-N 2 0 353.510 3.154 20 0 FGADRP [NH3+]CC1CCC([NH2+]CCOc2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000415081582 499861774 /nfs/dbraw/zinc/86/17/74/499861774.db2.gz KXHGPQALOBGPRG-UHFFFAOYSA-N 2 0 351.800 3.240 20 0 FGADRP [NH3+][C@H]1CCO[C@H](C2CC[NH+](Cc3ccccc3OC(F)(F)F)CC2)C1 ZINC000415121197 499866314 /nfs/dbraw/zinc/86/63/14/499866314.db2.gz HQGZWGPZCLOIAV-RDJZCZTQSA-N 2 0 358.404 3.304 20 0 FGADRP [NH3+][C@@H]1CCO[C@@H](C2CC[NH+](Cc3cccc(OC(F)(F)F)c3)CC2)C1 ZINC000415122369 499866634 /nfs/dbraw/zinc/86/66/34/499866634.db2.gz JXLDVZAAJZVZHG-NVXWUHKLSA-N 2 0 358.404 3.304 20 0 FGADRP CCc1cc(OC)ccc1C[NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1 ZINC000415126879 499867219 /nfs/dbraw/zinc/86/72/19/499867219.db2.gz HEWPYASZMPNYDO-UHFFFAOYSA-N 2 0 367.537 3.341 20 0 FGADRP Cc1cc(Br)ccc1C[NH+]1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000415126105 499867232 /nfs/dbraw/zinc/86/72/32/499867232.db2.gz PEERRECSTZAPBQ-ROUUACIJSA-N 2 0 367.331 3.476 20 0 FGADRP [NH3+][C@H]1CCO[C@H](C2CC[NH+](Cc3cccc(OCC(F)(F)F)c3)CC2)C1 ZINC000415129596 499867779 /nfs/dbraw/zinc/86/77/79/499867779.db2.gz VGLRFTMPMUKUPZ-WMZOPIPTSA-N 2 0 372.431 3.346 20 0 FGADRP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](Cc2ccccc2Br)CC1 ZINC000415134930 499868946 /nfs/dbraw/zinc/86/89/46/499868946.db2.gz WLJDQWUXDUEVMC-SJORKVTESA-N 2 0 353.304 3.167 20 0 FGADRP CC(C)[C@@](C)(C[NH3+])NC(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000415309816 499885451 /nfs/dbraw/zinc/88/54/51/499885451.db2.gz NLZAYXWIRLOTDB-HXUWFJFHSA-N 2 0 362.518 3.046 20 0 FGADRP [NH3+][C@@H]1CCC[C@H](CNC(=O)Nc2ccc(OCC[NH+]3CCCCC3)cc2)C1 ZINC000415309801 499885487 /nfs/dbraw/zinc/88/54/87/499885487.db2.gz NJAWUGDAFUYIQS-ZWKOTPCHSA-N 2 0 374.529 3.190 20 0 FGADRP C[NH+](C)CCc1ccccc1NC(=O)N1CCCC[C@H]1[C@@H]1CCC[NH2+]C1 ZINC000415561117 499902395 /nfs/dbraw/zinc/90/23/95/499902395.db2.gz GHGHVLWURRXYMN-QUCCMNQESA-N 2 0 358.530 3.177 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)Nc1ccc2c(c1)C[NH2+]CC2)c1ccco1 ZINC000415881459 499924024 /nfs/dbraw/zinc/92/40/24/499924024.db2.gz INJOJQGQQWWFQJ-GOSISDBHSA-N 2 0 356.470 3.130 20 0 FGADRP O=C(NCCCCC[NH+]1CCCCC1)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000415949137 499932362 /nfs/dbraw/zinc/93/23/62/499932362.db2.gz BEPIKVHSSBLHCK-UHFFFAOYSA-N 2 0 362.493 3.249 20 0 FGADRP CC[NH2+]Cc1ccccc1NC(=O)NCc1ccccc1OCC[NH+](C)C ZINC000415962171 499933942 /nfs/dbraw/zinc/93/39/42/499933942.db2.gz WNWAVUKMEKFCLA-UHFFFAOYSA-N 2 0 370.497 3.058 20 0 FGADRP [NH3+]Cc1cc(NC(=O)N2CC[C@H]([NH+]3CCCCC3)C2)cc(C(F)(F)F)c1 ZINC000415960967 499934000 /nfs/dbraw/zinc/93/40/00/499934000.db2.gz CQOGOAWZHPPBAM-INIZCTEOSA-N 2 0 370.419 3.256 20 0 FGADRP C[NH+](C)[C@H]1CCCN(C(=O)Nc2cc(C[NH3+])cc(C(F)(F)F)c2)CC1 ZINC000415973481 499935839 /nfs/dbraw/zinc/93/58/39/499935839.db2.gz QJGZUJVFVGOFFB-HNNXBMFYSA-N 2 0 358.408 3.112 20 0 FGADRP C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000415976869 499936125 /nfs/dbraw/zinc/93/61/25/499936125.db2.gz VYDSXSHVZHDXKS-QWHCGFSZSA-N 2 0 372.435 3.406 20 0 FGADRP C[N@@H+]1CCC[C@H](CCNC(=O)Nc2cc(C[NH3+])cc(C(F)(F)F)c2)C1 ZINC000415975245 499936271 /nfs/dbraw/zinc/93/62/71/499936271.db2.gz SJZUNTBRQHFRJO-GFCCVEGCSA-N 2 0 358.408 3.018 20 0 FGADRP C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000415988192 499937926 /nfs/dbraw/zinc/93/79/26/499937926.db2.gz CKDCZJFQCFZGDT-UHFFFAOYSA-N 2 0 374.435 3.164 20 0 FGADRP C[NH2+]Cc1ccc(NC(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000416014851 499941041 /nfs/dbraw/zinc/94/10/41/499941041.db2.gz SVTGBVMLHWOMQT-IBGZPJMESA-N 2 0 352.482 3.050 20 0 FGADRP C[C@@H](NC(=O)CC[N@@H+]1CCc2ccccc2C1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000416189165 499974047 /nfs/dbraw/zinc/97/40/47/499974047.db2.gz ACUNMJUDLDBMRT-UYAOXDASSA-N 2 0 369.553 3.204 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N(C)[C@@H](C)C[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000417291948 500030256 /nfs/dbraw/zinc/03/02/56/500030256.db2.gz BONWQYSRKZTOMJ-XJKSGUPXSA-N 2 0 374.451 3.077 20 0 FGADRP C[C@@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)[C@@H]1C[C@H]1c1cccs1 ZINC000417322381 500039877 /nfs/dbraw/zinc/03/98/77/500039877.db2.gz MVXMKUNSNWGCAU-BPQIPLTHSA-N 2 0 356.539 3.177 20 0 FGADRP CC[C@H](C(=O)N1CC(C)(C)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1)[NH+](C)C ZINC000413858066 500078335 /nfs/dbraw/zinc/07/83/35/500078335.db2.gz LXWAECBHNBRJFZ-RTWAWAEBSA-N 2 0 371.569 3.476 20 0 FGADRP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)NCc2cccc(C[NH+]3CCC(C)CC3)c2)C1 ZINC000417465767 500082084 /nfs/dbraw/zinc/08/20/84/500082084.db2.gz IPCGTQGLQWDGGM-GHTZIAJQSA-N 2 0 372.557 3.187 20 0 FGADRP CS[C@H]1CC[C@H]1[NH2+]Cc1cccc(OCC[N@H+](C)C2CCOCC2)c1 ZINC000425350984 500082167 /nfs/dbraw/zinc/08/21/67/500082167.db2.gz LVFKMFRZKMZMIW-UXHICEINSA-N 2 0 364.555 3.160 20 0 FGADRP C[C@H]([NH3+])[C@H]1CCCN(C(=O)NCc2cccc(C[NH+]3CCC(C)CC3)c2)C1 ZINC000417465769 500082353 /nfs/dbraw/zinc/08/23/53/500082353.db2.gz IPCGTQGLQWDGGM-RXVVDRJESA-N 2 0 372.557 3.187 20 0 FGADRP C[C@@H]([NH3+])c1ccc(CNC(=O)NC[C@H](C)[N@H+](C)Cc2ccccc2)cc1 ZINC000417587091 500118723 /nfs/dbraw/zinc/11/87/23/500118723.db2.gz NMXBFGLSMTYBPZ-DLBZAZTESA-N 2 0 354.498 3.026 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)NC[C@@H]([NH3+])c1ccccc1)c1ccccc1 ZINC000416844451 500135807 /nfs/dbraw/zinc/13/58/07/500135807.db2.gz PZMWCNFCEUFZMI-UXHICEINSA-N 2 0 354.498 3.069 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)NC[C@H]1CCC[NH2+]C1)c1ccccc1Cl ZINC000416853710 500138363 /nfs/dbraw/zinc/13/83/63/500138363.db2.gz UIIQNRKHAOBKMY-YJBOKZPZSA-N 2 0 366.937 3.022 20 0 FGADRP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000417677189 500146782 /nfs/dbraw/zinc/14/67/82/500146782.db2.gz FPDQPRSPUJBXMJ-ABSDTBQOSA-N 2 0 358.530 3.123 20 0 FGADRP CCC(CC)(CNC(=O)N[C@@H]1CC[NH2+]C[C@H]1C)[NH2+][C@H](C)c1ccccc1 ZINC000417702693 500152632 /nfs/dbraw/zinc/15/26/32/500152632.db2.gz KQWZUFDNKURACA-ZHALLVOQSA-N 2 0 360.546 3.193 20 0 FGADRP C[C@H]([NH2+]C1(CNC(=O)N[C@H]2CC[C@H](C[NH3+])C2)CCCC1)c1ccccc1 ZINC000417713868 500154798 /nfs/dbraw/zinc/15/47/98/500154798.db2.gz YTAVJLNTFAGKIX-LNLFQRSKSA-N 2 0 358.530 3.077 20 0 FGADRP CCN1CC[NH+](CCCC[NH2+][C@H](C)c2ccc(Cl)cc2OC)CC1 ZINC000421818348 500158596 /nfs/dbraw/zinc/15/85/96/500158596.db2.gz AGJGMYOGHLZYCJ-MRXNPFEDSA-N 2 0 353.938 3.417 20 0 FGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H](C)Cc2ccc(F)cc2Cl)CC1 ZINC000421823507 500159808 /nfs/dbraw/zinc/15/98/08/500159808.db2.gz DDAJXDOAPPPTKD-CVEARBPZSA-N 2 0 355.929 3.273 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N1CCC([C@@H]2[NH2+]CC2(C)C)CC1)CC(C)C ZINC000416959146 500166104 /nfs/dbraw/zinc/16/61/04/500166104.db2.gz PUIVTQJUOQOPGT-OALUTQOASA-N 2 0 366.594 3.163 20 0 FGADRP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000416971853 500171003 /nfs/dbraw/zinc/17/10/03/500171003.db2.gz HRMOBLZAADZXSU-WFXMLNOXSA-N 2 0 372.557 3.472 20 0 FGADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000416974334 500172252 /nfs/dbraw/zinc/17/22/52/500172252.db2.gz WXYYOCJWDWMPBQ-HXUWFJFHSA-N 2 0 360.546 3.234 20 0 FGADRP CC1CC[NH+](Cc2ccc(CNC(=O)NCCC[C@@H]3CCC[NH2+]3)cc2)CC1 ZINC000416974718 500172869 /nfs/dbraw/zinc/17/28/69/500172869.db2.gz LRDBKHBNPOLCOG-NRFANRHFSA-N 2 0 372.557 3.250 20 0 FGADRP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)NC3CCC([NH3+])CC3)cc2)C1 ZINC000416996709 500179239 /nfs/dbraw/zinc/17/92/39/500179239.db2.gz UZHPAYFMEKCFAU-FBIZOPLVSA-N 2 0 372.557 3.234 20 0 FGADRP C[N@H+](CCCNC(=O)N[C@H](CCC[NH3+])c1ccccc1)C1CCCCC1 ZINC000417005150 500182339 /nfs/dbraw/zinc/18/23/39/500182339.db2.gz DHCKBKOBNLKGKZ-HXUWFJFHSA-N 2 0 360.546 3.420 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)NCc1ccc2c(c1)C[NH2+]C2)c1ccsc1 ZINC000417011363 500183580 /nfs/dbraw/zinc/18/35/80/500183580.db2.gz RSKGZMVJPZDXQR-IBGZPJMESA-N 2 0 372.538 3.234 20 0 FGADRP CCCC[N@H+](CC)Cc1cccc(CNC(=O)N(C2CC2)[C@@H]2CC[NH2+]C2)c1 ZINC000417873848 500188937 /nfs/dbraw/zinc/18/89/37/500188937.db2.gz JJZYCIXVBUTIPH-OAQYLSRUSA-N 2 0 372.557 3.345 20 0 FGADRP CN(c1ccccc1C[N@@H+]1CCOC[C@@H](C2CCC2)C1)C1CC[NH+](C)CC1 ZINC000430117679 500195527 /nfs/dbraw/zinc/19/55/27/500195527.db2.gz ZKKPCEVATSCENZ-NRFANRHFSA-N 2 0 371.569 3.466 20 0 FGADRP CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@H](CCC[NH3+])c1ccccc1 ZINC000417920686 500198278 /nfs/dbraw/zinc/19/82/78/500198278.db2.gz QRAXMYNEWGRAIW-WOJBJXKFSA-N 2 0 360.546 3.276 20 0 FGADRP CC(C)[C@H](CNC(=O)NC1CCC([NH+](C)C)CC1)[NH+]1CCCCCC1 ZINC000422144855 500219689 /nfs/dbraw/zinc/21/96/89/500219689.db2.gz ICYQNOGJLRVJCE-ACBHZAAOSA-N 2 0 352.567 3.059 20 0 FGADRP CCC([NH3+])(CC)CNC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000418159855 500239450 /nfs/dbraw/zinc/23/94/50/500239450.db2.gz RKMRFLKFROZPMN-GOSISDBHSA-N 2 0 360.546 3.104 20 0 FGADRP CCC[N@H+](C)[C@H](CNC(=O)N1CCC[C@H]([NH2+]C)C1)c1ccc(Cl)cc1 ZINC000418174865 500242619 /nfs/dbraw/zinc/24/26/19/500242619.db2.gz FHIUSKUVSNDGET-ZWKOTPCHSA-N 2 0 366.937 3.116 20 0 FGADRP CCC[N@H+](C)[C@H](CNC(=O)N1CC[C@H]([NH3+])[C@H](C)C1)c1ccc(Cl)cc1 ZINC000418192422 500246835 /nfs/dbraw/zinc/24/68/35/500246835.db2.gz YRBXTEAUXYKWML-FHLIZLRMSA-N 2 0 366.937 3.102 20 0 FGADRP CC[NH2+]CC1CC[NH+]([C@H](C)C(=O)N[C@H](C)c2ccc(Cl)cc2)CC1 ZINC000430542539 500251514 /nfs/dbraw/zinc/25/15/14/500251514.db2.gz KTVCZTYDTAPSKC-HUUCEWRRSA-N 2 0 351.922 3.227 20 0 FGADRP CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)N[C@@H](CCC[NH3+])c1ccccc1 ZINC000418236591 500254386 /nfs/dbraw/zinc/25/43/86/500254386.db2.gz MPDBRBBYSFBDGJ-PMACEKPBSA-N 2 0 360.546 3.276 20 0 FGADRP O=C(NCCC[C@H]1CCC[NH2+]1)NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000418246032 500255184 /nfs/dbraw/zinc/25/51/84/500255184.db2.gz SVJYAZXJPZGMID-NHCUHLMSSA-N 2 0 372.557 3.120 20 0 FGADRP [NH3+]CCCOC1CC[NH+](Cc2cccc(C(=O)Nc3ccccc3)c2)CC1 ZINC000430566530 500255580 /nfs/dbraw/zinc/25/55/80/500255580.db2.gz CFXRFXKGNGDHAO-UHFFFAOYSA-N 2 0 367.493 3.269 20 0 FGADRP [NH3+]CCCNC(=O)N1CCCCC[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000418311909 500260462 /nfs/dbraw/zinc/26/04/62/500260462.db2.gz NBMJYYFBSFUPRQ-NRFANRHFSA-N 2 0 372.557 3.202 20 0 FGADRP Cc1ccc([C@@H]([NH3+])C(=O)Nc2ccc(OCC[N@H+]3CC[C@@H](C)C3)cc2)cc1 ZINC000430606485 500261384 /nfs/dbraw/zinc/26/13/84/500261384.db2.gz VYRDHVFRYKJRTR-DYESRHJHSA-N 2 0 367.493 3.354 20 0 FGADRP C[C@H](c1ccc(Cl)c(Cl)c1)[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430615275 500262129 /nfs/dbraw/zinc/26/21/29/500262129.db2.gz AYSKEXVOSSVMEZ-HIFRSBDPSA-N 2 0 370.324 3.198 20 0 FGADRP C[NH2+]C[C@H]1CCC[N@H+](CCC(=O)N[C@@H](c2cccs2)c2ccccc2)C1 ZINC000430619669 500262949 /nfs/dbraw/zinc/26/29/49/500262949.db2.gz AHHGFZSACDTUTA-DYESRHJHSA-N 2 0 371.550 3.275 20 0 FGADRP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCC1([NH3+])CCCCC1 ZINC000418327849 500263221 /nfs/dbraw/zinc/26/32/21/500263221.db2.gz ZXMMQPTYBNFXFN-FQEVSTJZSA-N 2 0 372.557 3.202 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@H]([NH3+])c2ccc(C(C)C)cc2)C[C@@H]1C ZINC000418337985 500264967 /nfs/dbraw/zinc/26/49/67/500264967.db2.gz YQOWSZSZBOXFGQ-VDGAXYAQSA-N 2 0 360.546 3.324 20 0 FGADRP [NH3+]C[C@H]1CCC[N@H+](CCC(=O)N[C@H](c2cccs2)c2ccccc2)C1 ZINC000430642441 500265616 /nfs/dbraw/zinc/26/56/16/500265616.db2.gz KMFWWESXPSJEPK-UZLBHIALSA-N 2 0 357.523 3.015 20 0 FGADRP CC(C)c1ccc([C@H]([NH3+])CNC(=O)N2CC[C@H]([NH+]3CCCC3)[C@@H]2C)cc1 ZINC000418345514 500266139 /nfs/dbraw/zinc/26/61/39/500266139.db2.gz HIRLBFSNCUSQEO-DBVUQKKJSA-N 2 0 358.530 3.078 20 0 FGADRP CCN(C(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000418356148 500267510 /nfs/dbraw/zinc/26/75/10/500267510.db2.gz XLHQOSQMYAYQNF-KOUHRCEDSA-N 2 0 372.557 3.242 20 0 FGADRP [NH3+]C[C@H](NC(=O)N[C@H](C[NH3+])C1CCCCC1)c1ccc2ccccc2c1 ZINC000418394078 500271532 /nfs/dbraw/zinc/27/15/32/500271532.db2.gz XJZFRLFFJXIWIM-UXHICEINSA-N 2 0 354.498 3.046 20 0 FGADRP CC(C)C[C@H](C[NH3+])NC(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000418429868 500275423 /nfs/dbraw/zinc/27/54/23/500275423.db2.gz SUHUNQSBIUUVIT-HXUWFJFHSA-N 2 0 372.557 3.058 20 0 FGADRP CC(C)[NH+]1CCC(N2CC[NH+](CCSCc3ccccc3)CC2)CC1 ZINC000430753598 500279774 /nfs/dbraw/zinc/27/97/74/500279774.db2.gz LDUSHSMEMBHSSA-UHFFFAOYSA-N 2 0 361.599 3.410 20 0 FGADRP CCCC[C@@H](C[NH3+])NC(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000418471569 500280555 /nfs/dbraw/zinc/28/05/55/500280555.db2.gz RRSXSVJQNRTSJW-UNMCSNQZSA-N 2 0 372.557 3.202 20 0 FGADRP C[C@H]([NH3+])c1ccc(CNC(=O)NC(C)(C)C[N@H+](C)Cc2ccccc2)cc1 ZINC000418485359 500282235 /nfs/dbraw/zinc/28/22/35/500282235.db2.gz HCNAWHGQFJRXFD-KRWDZBQOSA-N 2 0 368.525 3.416 20 0 FGADRP C[NH+](C)CCN(C(=O)N[C@@H](C[NH3+])c1ccc2ccccc2c1)C1CCCC1 ZINC000418486110 500282440 /nfs/dbraw/zinc/28/24/40/500282440.db2.gz ITCGSJRDAWDQTQ-NRFANRHFSA-N 2 0 368.525 3.355 20 0 FGADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000418490068 500283313 /nfs/dbraw/zinc/28/33/13/500283313.db2.gz MQIPVLCNMOPECD-VDGAXYAQSA-N 2 0 360.546 3.406 20 0 FGADRP [NH3+]CCCN(CC1CCCC1)C(=O)N[C@@H](C[NH3+])c1ccc2ccccc2c1 ZINC000418498607 500284655 /nfs/dbraw/zinc/28/46/55/500284655.db2.gz KFAOBDQCKFUILF-NRFANRHFSA-N 2 0 368.525 3.390 20 0 FGADRP [NH3+]CC1CCC([NH2+][C@H]2CCN(c3ccc(Br)cc3)C2)CC1 ZINC000422700906 500287233 /nfs/dbraw/zinc/28/72/33/500287233.db2.gz AYSWDBMVYZANEZ-BCLQGDPASA-N 2 0 352.320 3.135 20 0 FGADRP COc1ccc(CC[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1F ZINC000422701057 500287350 /nfs/dbraw/zinc/28/73/50/500287350.db2.gz BCOBNHHNWRLWAC-WIYYLYMNSA-N 2 0 356.441 3.222 20 0 FGADRP c1ccc(CCOCCC[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422705435 500287987 /nfs/dbraw/zinc/28/79/87/500287987.db2.gz BZGJNFQKLXHXGM-GMAHTHKFSA-N 2 0 366.505 3.481 20 0 FGADRP COc1ccc(C[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c(OC)c1 ZINC000422714910 500288207 /nfs/dbraw/zinc/28/82/07/500288207.db2.gz INKSLJBDALBWDG-NQIIRXRSSA-N 2 0 354.450 3.049 20 0 FGADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+][C@@H]1CCN(c2ccccc2Br)C1 ZINC000422720021 500290033 /nfs/dbraw/zinc/29/00/33/500290033.db2.gz ZJTRAIYDZVSMDE-BMFZPTHFSA-N 2 0 352.320 3.277 20 0 FGADRP O=C(NCc1ccc2c(c1)C[NH2+]C2)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000418553124 500290370 /nfs/dbraw/zinc/29/03/70/500290370.db2.gz MEUQPOJJCPNTQA-UHFFFAOYSA-N 2 0 370.541 3.087 20 0 FGADRP CC1CC[NH+]([C@H](CN[C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)c2ccccc2)CC1 ZINC000422744824 500293072 /nfs/dbraw/zinc/29/30/72/500293072.db2.gz WROYDLMYEXGDBF-SSGKUCQKSA-N 2 0 371.569 3.206 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)NCc2ccc3c(c2)C[NH2+]C3)C1 ZINC000418590901 500294492 /nfs/dbraw/zinc/29/44/92/500294492.db2.gz UGLYKWSCXFRQRQ-IEBWSBKVSA-N 2 0 370.541 3.086 20 0 FGADRP CN(C)[C@H](C[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ccccc1 ZINC000422753261 500294609 /nfs/dbraw/zinc/29/46/09/500294609.db2.gz IGJJOOCVXCCQFR-KCZVDYSFSA-N 2 0 351.494 3.135 20 0 FGADRP CCOC(=O)C1([C@H](C)[NH2+][C@H]2CCC[C@H]2Cc2ccccc2)CC[NH2+]CC1 ZINC000422765886 500295387 /nfs/dbraw/zinc/29/53/87/500295387.db2.gz PPRFVFLAMMPYIA-IHPCNDPISA-N 2 0 358.526 3.309 20 0 FGADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CC1CCN(C(=O)c2ccccc2)CC1 ZINC000422772288 500295854 /nfs/dbraw/zinc/29/58/54/500295854.db2.gz WPODFTCIQYHVDF-NQIIRXRSSA-N 2 0 357.542 3.439 20 0 FGADRP c1cc(C[NH+]2CCCCCC2)ccc1C[NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000422779898 500296318 /nfs/dbraw/zinc/29/63/18/500296318.db2.gz JOTRDXPKMYSCIS-RJGXRXQPSA-N 3 0 371.569 3.309 20 0 FGADRP CCOC(=O)C1([C@H](C)[NH2+]CC[C@@H](C)c2ccc(OC)cc2)CC[NH2+]CC1 ZINC000422781625 500297391 /nfs/dbraw/zinc/29/73/91/500297391.db2.gz LUBVWCLEOCJCIG-SJORKVTESA-N 2 0 362.514 3.100 20 0 FGADRP Cc1cccc(N2CC[NH+](CCCC[NH2+][C@@H](C)c3cnccc3N)CC2)c1 ZINC000422809644 500301447 /nfs/dbraw/zinc/30/14/47/500301447.db2.gz MKDCYMXEYMKKEK-IBGZPJMESA-N 2 0 367.541 3.056 20 0 FGADRP CCOC(=O)C1([C@H](C)[NH2+]C[C@@H]2CCCC[C@H]2C(F)(F)F)CC[NH2+]CC1 ZINC000422817773 500302181 /nfs/dbraw/zinc/30/21/81/500302181.db2.gz IJGBRMDQNFHNBR-SOUVJXGZSA-N 2 0 364.452 3.266 20 0 FGADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]CCOc1c(Cl)cc(Cl)cc1Cl ZINC000422833422 500303362 /nfs/dbraw/zinc/30/33/62/500303362.db2.gz GVFYGRRCLAAKAA-CHIMOYNISA-N 2 0 367.704 3.368 20 0 FGADRP COC[C@@H](CCC[NH3+])[NH2+]CC1(C(=O)Nc2ccc(C)c(C)c2)CCCC1 ZINC000422836240 500304064 /nfs/dbraw/zinc/30/40/64/500304064.db2.gz JREJRBRTLNHMIX-LJQANCHMSA-N 2 0 361.530 3.146 20 0 FGADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000422841251 500304955 /nfs/dbraw/zinc/30/49/55/500304955.db2.gz CTKDYNGUDUBRSH-CVDCTZTESA-N 2 0 351.538 3.242 20 0 FGADRP CCOC(=O)C1([C@H](C)[NH2+][C@H]2CCSc3c(F)cccc32)CC[NH2+]CC1 ZINC000422847083 500305430 /nfs/dbraw/zinc/30/54/30/500305430.db2.gz QZYARHXGNYIEQZ-BBRMVZONSA-N 2 0 366.502 3.274 20 0 FGADRP CCOCCOc1cc(C)ccc1C[NH2+][C@@H](C)c1ccc(C[NH3+])nc1C ZINC000422849285 500305550 /nfs/dbraw/zinc/30/55/50/500305550.db2.gz BUKYEELCTFBQJU-INIZCTEOSA-N 2 0 357.498 3.423 20 0 FGADRP CCOC(=O)C1([C@H](C)[NH2+]C[C@H]2CCC[C@H](C(F)(F)F)C2)CC[NH2+]CC1 ZINC000422853025 500306244 /nfs/dbraw/zinc/30/62/44/500306244.db2.gz RSBLYRMOODBWNY-KKUMJFAQSA-N 2 0 364.452 3.266 20 0 FGADRP COCCOc1ccc(C[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422860295 500306657 /nfs/dbraw/zinc/30/66/57/500306657.db2.gz LHXWWEMHVKANBA-RBBKRZOGSA-N 2 0 368.477 3.057 20 0 FGADRP C[C@H]([NH3+])C1CC[NH+](CC(=O)N[C@@H](c2ccccc2)C2CCCCC2)CC1 ZINC000430920623 500307334 /nfs/dbraw/zinc/30/73/34/500307334.db2.gz PPIIEAJIPGZQGL-JTSKRJEESA-N 2 0 357.542 3.483 20 0 FGADRP C[C@H](CCCC[NH3+])NC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000418687591 500308075 /nfs/dbraw/zinc/30/80/75/500308075.db2.gz DNJBEGCUPJRDEN-HBFSDRIKSA-N 2 0 360.546 3.198 20 0 FGADRP C[C@H](O)C[C@H](C[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ccccc1 ZINC000422872251 500308216 /nfs/dbraw/zinc/30/82/16/500308216.db2.gz GGUUEGVULHTXSX-QYAKYFNYSA-N 2 0 366.505 3.387 20 0 FGADRP C[NH2+]CC1CC[NH+]([C@H](C)C(=O)N[C@H](C)c2ccc3ccccc3c2)CC1 ZINC000430929329 500308530 /nfs/dbraw/zinc/30/85/30/500308530.db2.gz VXXCIBUUMVXLPA-IAGOWNOFSA-N 2 0 353.510 3.337 20 0 FGADRP Clc1ccc(OC[C@H]2CCCO2)c(C[NH+]2CCC3(CC[NH2+]C3)CC2)c1 ZINC000430929042 500308536 /nfs/dbraw/zinc/30/85/36/500308536.db2.gz NAPZMFGIDKZFFL-GOSISDBHSA-N 2 0 364.917 3.473 20 0 FGADRP C[NH2+]CC1CC[NH+](CCC(=O)NC(c2ccccc2)c2ccccc2)CC1 ZINC000430926499 500308598 /nfs/dbraw/zinc/30/85/98/500308598.db2.gz NTPYICFFBLDMRV-UHFFFAOYSA-N 2 0 365.521 3.214 20 0 FGADRP CCOC(=O)C1([C@@H](C)[NH2+][C@@H](C)c2cccc(N3CCCC3)c2)CC[NH2+]CC1 ZINC000422875277 500308718 /nfs/dbraw/zinc/30/87/18/500308718.db2.gz OTSSMJNYZOFJGQ-ZWKOTPCHSA-N 2 0 373.541 3.259 20 0 FGADRP CCOC(=O)C1([C@@H](C)[NH2+][C@H](C)c2cccc(N3CCCC3)c2)CC[NH2+]CC1 ZINC000422875275 500308931 /nfs/dbraw/zinc/30/89/31/500308931.db2.gz OTSSMJNYZOFJGQ-QZTJIDSGSA-N 2 0 373.541 3.259 20 0 FGADRP C[C@H](C[C@@H]1COCCN1)[NH2+]Cc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000422875600 500308996 /nfs/dbraw/zinc/30/89/96/500308996.db2.gz FEIUNROMUVACSW-VQQMMKBISA-N 2 0 359.558 3.021 20 0 FGADRP CCCN(C(=O)N[C@@H](C)CCC[NH3+])[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000418694616 500309335 /nfs/dbraw/zinc/30/93/35/500309335.db2.gz WAOLXMUNMKOINO-AZUAARDMSA-N 2 0 360.546 3.200 20 0 FGADRP C[C@@H]1CN(c2ccc(C[NH2+][C@@H]3CCC[C@@H]3[C@H]3CCCC[NH2+]3)cn2)C[C@@H](C)O1 ZINC000422879400 500309757 /nfs/dbraw/zinc/30/97/57/500309757.db2.gz KIAXTYFFAMIKJD-XGAGZNTDSA-N 2 0 372.557 3.096 20 0 FGADRP C[C@@H](CCC[NH3+])[NH2+][C@@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1 ZINC000422885031 500310953 /nfs/dbraw/zinc/31/09/53/500310953.db2.gz SZRKGPVNCQUQHX-BBRMVZONSA-N 2 0 357.420 3.086 20 0 FGADRP CC[C@H](C)[C@H]([NH2+][C@@H](C)C1C[NH2+]C1)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC000422886213 500311062 /nfs/dbraw/zinc/31/10/62/500311062.db2.gz IGRZKQNHAIUUAU-SPEDKVCISA-N 2 0 371.569 3.080 20 0 FGADRP CC[NH+]1CCN(Cc2ccc(CN[C@H]3C[C@@H]([NH3+])c4ccccc43)cc2)CC1 ZINC000422890198 500311339 /nfs/dbraw/zinc/31/13/39/500311339.db2.gz HWPRIONNFJTZJG-PKTZIBPZSA-N 2 0 364.537 3.059 20 0 FGADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]C1CCN(Cc2ccc(Br)cc2)CC1 ZINC000422890058 500311672 /nfs/dbraw/zinc/31/16/72/500311672.db2.gz HSELBRCDXKBXGB-YJBOKZPZSA-N 2 0 366.347 3.131 20 0 FGADRP C[C@@H](CCCC[NH3+])[NH2+]C[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000422893686 500312312 /nfs/dbraw/zinc/31/23/12/500312312.db2.gz ANOIDGALONDFRP-LSDHHAIUSA-N 2 0 354.336 3.383 20 0 FGADRP C[C@H]([NH3+])C1CC[NH+](Cc2nc(-c3ccc(C(F)(F)F)cc3)no2)CC1 ZINC000430952302 500312587 /nfs/dbraw/zinc/31/25/87/500312587.db2.gz YRERPKZBINPHOM-NSHDSACASA-N 2 0 354.376 3.315 20 0 FGADRP COc1ccc(Cl)cc1C1(C[NH2+][C@H]2CC[NH2+]CC[C@@H]2C)CCOCC1 ZINC000422897230 500312726 /nfs/dbraw/zinc/31/27/26/500312726.db2.gz BNWZMFBGVDSMMH-YJBOKZPZSA-N 2 0 366.933 3.375 20 0 FGADRP C[C@H]([NH3+])C1CC[NH+](CC(=O)Nc2ccc(Oc3ccccc3)cc2)CC1 ZINC000430962715 500313830 /nfs/dbraw/zinc/31/38/30/500313830.db2.gz QYYWEWXTMLWQCH-INIZCTEOSA-N 2 0 353.466 3.477 20 0 FGADRP C[NH2+]CC1CC[NH+](CC(=O)N2CCCCC[C@H]2c2ccc(OC)cc2)CC1 ZINC000430967391 500314603 /nfs/dbraw/zinc/31/46/03/500314603.db2.gz SPEZJSMCLSQYIA-NRFANRHFSA-N 2 0 373.541 3.070 20 0 FGADRP CCc1nc(CN2CCC(C[NH2+][C@H](CC)[C@@H]3CCC[NH2+]3)CC2)cs1 ZINC000422913015 500315266 /nfs/dbraw/zinc/31/52/66/500315266.db2.gz OVRGYKGJWXMMFN-MSOLQXFVSA-N 2 0 350.576 3.038 20 0 FGADRP CO[C@H](C[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ccc(F)cc1 ZINC000422923781 500317925 /nfs/dbraw/zinc/31/79/25/500317925.db2.gz XBJXFEAAFMRPQH-CEWLAPEOSA-N 2 0 356.441 3.359 20 0 FGADRP CCOC(=O)C1([C@H](C)[NH2+]CC2(Cc3ccccc3)CCC2)CC[NH2+]CC1 ZINC000422929644 500318467 /nfs/dbraw/zinc/31/84/67/500318467.db2.gz QXAQGIYEDYFBBT-SFHVURJKSA-N 2 0 358.526 3.310 20 0 FGADRP Clc1cc(CC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)cc2c1OCCO2 ZINC000422928420 500318522 /nfs/dbraw/zinc/31/85/22/500318522.db2.gz KMIOYUCCVXRUOU-OIISXLGYSA-N 2 0 350.890 3.164 20 0 FGADRP CCOC(=O)C1([C@H](C)[NH2+][C@H]2CCOc3c(Cl)cccc32)CC[NH2+]CC1 ZINC000422938174 500319663 /nfs/dbraw/zinc/31/96/63/500319663.db2.gz GTHQEOATAJHCBP-BBRMVZONSA-N 2 0 366.889 3.075 20 0 FGADRP CC[NH+]1CCN(Cc2ccc(NC(=O)[C@@H]3CCCCCC[C@H]3[NH3+])cc2)CC1 ZINC000431004412 500321227 /nfs/dbraw/zinc/32/12/27/500321227.db2.gz QZUYTNAIVUSWOM-NHCUHLMSSA-N 2 0 372.557 3.060 20 0 FGADRP C[C@H]([NH2+]C[C@H]1CCN(c2ccc(Br)cc2)C1)[C@H]1CCCC[NH2+]1 ZINC000422949885 500322454 /nfs/dbraw/zinc/32/24/54/500322454.db2.gz UWGCSIAVELIDRO-HDMKZQKVSA-N 2 0 366.347 3.396 20 0 FGADRP C[C@@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]C[C@@H](C)Sc1ccc(Br)cc1 ZINC000422952503 500322480 /nfs/dbraw/zinc/32/24/80/500322480.db2.gz COKRJHQXRQOYOW-CZPYZCIJSA-N 2 0 373.360 3.272 20 0 FGADRP Cn1cc(-c2cccc(C[NH2+][C@@H]3C[C@@]4(CC[NH2+]C4)Oc4ccccc43)c2)cn1 ZINC000422961454 500324493 /nfs/dbraw/zinc/32/44/93/500324493.db2.gz CBCYDHGIRKYCEX-FYYLOGMGSA-N 2 0 374.488 3.433 20 0 FGADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1ccc(N2CCc3ccccc3C2)nc1 ZINC000422972410 500325456 /nfs/dbraw/zinc/32/54/56/500325456.db2.gz LNBMCRKOHSDMRA-UWJYYQICSA-N 2 0 350.510 3.122 20 0 FGADRP COc1ccc([C@H](CN[C@@H]2C[C@H]([NH3+])c3ccccc32)[NH+](C)C)cc1OC ZINC000422985289 500327236 /nfs/dbraw/zinc/32/72/36/500327236.db2.gz CYTGPEXTKGIFNV-OTWHNJEPSA-N 2 0 355.482 3.041 20 0 FGADRP CCOc1cccc(CC[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000422995407 500328619 /nfs/dbraw/zinc/32/86/19/500328619.db2.gz KCFCYBZQTCEQMD-IRLDBZIGSA-N 2 0 352.478 3.473 20 0 FGADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@@H](CC(C)C)C(=O)Nc1nccs1 ZINC000423013208 500331159 /nfs/dbraw/zinc/33/11/59/500331159.db2.gz FKRMKKIGLDGGFD-CJNGLKHVSA-N 2 0 361.515 3.009 20 0 FGADRP CCCCn1cc(C[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c(C)n1 ZINC000423018040 500331714 /nfs/dbraw/zinc/33/17/14/500331714.db2.gz PYIJPDIMTPXKTH-PZJWPPBQSA-N 2 0 354.498 3.337 20 0 FGADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)cc1 ZINC000423026243 500332643 /nfs/dbraw/zinc/33/26/43/500332643.db2.gz PWLAPDPVNADUFP-CYFNAFFESA-N 2 0 372.900 3.125 20 0 FGADRP CCOC(=O)C1([C@@H](C)[NH2+]C2(c3ccc(F)cc3F)CCC2)CC[NH2+]CC1 ZINC000423029127 500332963 /nfs/dbraw/zinc/33/29/63/500332963.db2.gz RRIGLHDUIKOGTM-CQSZACIVSA-N 2 0 366.452 3.255 20 0 FGADRP CCN(CC[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)CCC(F)(F)F ZINC000423069924 500338002 /nfs/dbraw/zinc/33/80/02/500338002.db2.gz FKZWFSBDHYRBTQ-AEFFLSMTSA-N 2 0 371.447 3.106 20 0 FGADRP COC[C@H](CCC[NH3+])[NH2+][C@@H]1CCCN(c2ccc(Cl)cc2Cl)C1 ZINC000423067249 500338042 /nfs/dbraw/zinc/33/80/42/500338042.db2.gz GQTVWJRNCDOPTG-CABCVRRESA-N 2 0 360.329 3.306 20 0 FGADRP Brc1cnn(CCCC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)c1 ZINC000423084737 500339803 /nfs/dbraw/zinc/33/98/03/500339803.db2.gz IRBSVBCUMFMHQH-IXDOHACOSA-N 2 0 369.351 3.326 20 0 FGADRP CCOC(=O)C1([C@H](C)[NH2+][C@H]2CC[C@@H](c3ccccc3F)C2)CC[NH2+]CC1 ZINC000423092216 500341099 /nfs/dbraw/zinc/34/10/99/500341099.db2.gz AYUGNSMKIRQBNZ-BBWFWOEESA-N 2 0 362.489 3.373 20 0 FGADRP Fc1ccc(C2CC([NH2+][C@@H]3CCOC[C@@H]3[C@@H]3CCC[NH2+]3)C2)cc1Cl ZINC000423094845 500341297 /nfs/dbraw/zinc/34/12/97/500341297.db2.gz CVEGNNYWDQDTNX-HLJPGJHGSA-N 2 0 352.881 3.472 20 0 FGADRP COc1ccc(CC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)c(Cl)c1OC ZINC000423127277 500345917 /nfs/dbraw/zinc/34/59/17/500345917.db2.gz BTNADDHZKPRKSW-BZUAXINKSA-N 2 0 352.906 3.410 20 0 FGADRP c1ccc(C[N@H+]2CCCC[C@H](CN[C@@H]3CCOC[C@H]3[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000423141784 500347980 /nfs/dbraw/zinc/34/79/80/500347980.db2.gz RUKFZTVCNZDTKB-WZYRSQIMSA-N 3 0 371.569 3.035 20 0 FGADRP Cc1c(Br)cccc1C[C@H](CO)C[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000423152372 500349033 /nfs/dbraw/zinc/34/90/33/500349033.db2.gz FSCBDMKDYXGXMD-ZVZYQTTQSA-N 2 0 369.347 3.016 20 0 FGADRP C[C@@H]([NH2+]C1CCN(Cc2cccc(Br)c2)CC1)[C@@H]1CCC[NH2+]1 ZINC000423175823 500351772 /nfs/dbraw/zinc/35/17/72/500351772.db2.gz FGJQQSJDYVVARO-KDOFPFPSSA-N 2 0 366.347 3.144 20 0 FGADRP FC(F)(F)c1cccc(C2CCC([NH2+]CCN3CC[NH2+]CC3)CC2)c1 ZINC000423199402 500354165 /nfs/dbraw/zinc/35/41/65/500354165.db2.gz BHTFXCODXLYOTP-UHFFFAOYSA-N 2 0 355.448 3.226 20 0 FGADRP Cc1ccc([C@@H]([NH2+]CC[C@H]2CC[NH2+]C2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000423242976 500358276 /nfs/dbraw/zinc/35/82/76/500358276.db2.gz FYRKWSQBTFVOOP-DYESRHJHSA-N 2 0 372.534 3.077 20 0 FGADRP CCc1ccc([C@@H](CNC(=O)NC2CC[NH+](CC)CC2)[NH+](CC)CC)cc1 ZINC000431286282 500359037 /nfs/dbraw/zinc/35/90/37/500359037.db2.gz XPTIFFBHBMQAFG-OAQYLSRUSA-N 2 0 374.573 3.415 20 0 FGADRP C[NH2+]C[C@H](C)C[NH2+][C@H](C)CCc1ccc(I)cc1 ZINC000423270750 500360695 /nfs/dbraw/zinc/36/06/95/500360695.db2.gz IJFWKSRTUBBTBW-QWHCGFSZSA-N 2 0 360.283 3.057 20 0 FGADRP COCC[NH2+]CCN[C@@H]1c2cc(Br)ccc2SC[C@H]1C ZINC000423319548 500363908 /nfs/dbraw/zinc/36/39/08/500363908.db2.gz CMOXJFKADJSMGF-ABAIWWIYSA-N 2 0 359.333 3.058 20 0 FGADRP C[NH2+]CCc1ccccc1C(=O)NCc1ccccc1C[N@H+](C)C(C)C ZINC000423328626 500364567 /nfs/dbraw/zinc/36/45/67/500364567.db2.gz KYQNRRVDIAJLCM-UHFFFAOYSA-N 2 0 353.510 3.219 20 0 FGADRP [NH3+][C@H](C[NH2+][C@H](c1cccc(Br)c1)C1CCOCC1)C1CC1 ZINC000423331768 500364591 /nfs/dbraw/zinc/36/45/91/500364591.db2.gz UVHOPAANWMHFKG-SJORKVTESA-N 2 0 353.304 3.244 20 0 FGADRP C[C@@H]([NH2+]CC1(C)CC[NH2+]CC1)c1ccccc1I ZINC000423343846 500365159 /nfs/dbraw/zinc/36/51/59/500365159.db2.gz XIYIDJLXVFCSMI-GFCCVEGCSA-N 2 0 358.267 3.332 20 0 FGADRP CC(C)[C@H](C(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1)[C@H](C)[NH3+] ZINC000423339742 500365463 /nfs/dbraw/zinc/36/54/63/500365463.db2.gz WVOCHXHVXSBATB-QGTPRVQTSA-N 2 0 351.922 3.213 20 0 FGADRP C[C@@H]([NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc(C(F)(F)F)cc1 ZINC000423393885 500370634 /nfs/dbraw/zinc/37/06/34/500370634.db2.gz RMZQMHYCMJYGSL-RISCZKNCSA-N 2 0 369.353 3.192 20 0 FGADRP COCC1(C[NH2+][C@H]2CCCc3c(Br)cccc32)CC[NH2+]CC1 ZINC000423409441 500371990 /nfs/dbraw/zinc/37/19/90/500371990.db2.gz QBVWYXZQZWKMPO-KRWDZBQOSA-N 2 0 367.331 3.432 20 0 FGADRP COC[C@@]1(CN[C@@H]2CCc3cc(Br)cc(C)c32)CCC[NH2+]1 ZINC000423416913 500372812 /nfs/dbraw/zinc/37/28/12/500372812.db2.gz RLYYXHGPTDRGSN-WBVHZDCISA-N 2 0 353.304 3.103 20 0 FGADRP CC[N@H+](CCNC(=O)[C@H]1CCC[NH+]1Cc1ccccc1)CCC(F)(F)F ZINC000427252686 500373816 /nfs/dbraw/zinc/37/38/16/500373816.db2.gz YCMLTPQQDZXMQL-QGZVFWFLSA-N 2 0 371.447 3.042 20 0 FGADRP C[C@@H]([NH2+]C[C@@H]1NCCc2ccccc21)c1ccc(OCC[NH+](C)C)cc1 ZINC000423445799 500375423 /nfs/dbraw/zinc/37/54/23/500375423.db2.gz YQSBCLNBLOEIEH-VGSWGCGISA-N 2 0 353.510 3.165 20 0 FGADRP C[C@@H]1CC[N@H+](CCOc2ccc(NC(=O)C[C@@H]3CCC[NH2+]CC3)cc2)C1 ZINC000427275913 500376812 /nfs/dbraw/zinc/37/68/12/500376812.db2.gz VEEMTODHOQMPIP-QZTJIDSGSA-N 2 0 359.514 3.126 20 0 FGADRP CCc1ccccc1[C@H]([NH3+])CN[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423495353 500379096 /nfs/dbraw/zinc/37/90/96/500379096.db2.gz BWRQLUAMIUBLIX-SJBKTWHCSA-N 2 0 351.494 3.094 20 0 FGADRP COc1ccc([C@H](CNC(=O)C[C@H]2CCC[NH2+]CC2)[NH+]2CCCCC2)cc1 ZINC000427298975 500379139 /nfs/dbraw/zinc/37/91/39/500379139.db2.gz IFFUHFBHQZRKDD-RXVVDRJESA-N 2 0 373.541 3.118 20 0 FGADRP CCc1ccccc1[C@H]([NH3+])CN[C@H](C)CS(=O)(=O)c1ccc(C)cc1 ZINC000423510909 500380629 /nfs/dbraw/zinc/38/06/29/500380629.db2.gz SSMUCVGJMHVXSN-OXQOHEQNSA-N 2 0 360.523 3.009 20 0 FGADRP Cc1cc2c(cc1C)[C@H]([NH2+]C1CCC([NH+]3CCNCC3)CC1)CCCO2 ZINC000423519383 500381577 /nfs/dbraw/zinc/38/15/77/500381577.db2.gz PSDSQBNXWPKPNO-GZNCHQMQSA-N 2 0 357.542 3.323 20 0 FGADRP C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+]CCC1=CC[NH2+]CC1 ZINC000423542130 500383639 /nfs/dbraw/zinc/38/36/39/500383639.db2.gz SWQXRSNVBPFCQX-ZDUSSCGKSA-N 2 0 366.303 3.066 20 0 FGADRP C[NH+](C)CCN(CCCc1ccccc1)C(=O)C[C@@H]([NH3+])c1ccccc1 ZINC000423735767 500397669 /nfs/dbraw/zinc/39/76/69/500397669.db2.gz BAAAQMBMGSBGGR-OAQYLSRUSA-N 2 0 353.510 3.100 20 0 FGADRP C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)C[C@@H]([NH3+])c1ccccc1 ZINC000423738943 500398074 /nfs/dbraw/zinc/39/80/74/500398074.db2.gz FPRAAQMVMLDZDV-LJQANCHMSA-N 2 0 359.901 3.320 20 0 FGADRP C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)C[C@H]([NH3+])c1ccccc1 ZINC000423738940 500398203 /nfs/dbraw/zinc/39/82/03/500398203.db2.gz FPRAAQMVMLDZDV-IBGZPJMESA-N 2 0 359.901 3.320 20 0 FGADRP CC(C)[N@@H+]1CCCN(C(=O)N[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000431675273 500406666 /nfs/dbraw/zinc/40/66/66/500406666.db2.gz XIYJVPGGFVKKBZ-PZJWPPBQSA-N 2 0 372.557 3.165 20 0 FGADRP C[C@@H]1C[C@@H](CCNC(=O)C[C@H]2CCC[NH2+]CC2)C[N@@H+]1Cc1ccccc1 ZINC000423899461 500417477 /nfs/dbraw/zinc/41/74/77/500417477.db2.gz JETMBHPCQBOLFD-SVFBPWRDSA-N 2 0 357.542 3.183 20 0 FGADRP C[C@@H]1C[C@H](NC(=O)CC[C@H]2CCCC[NH+]2C)CC[N@@H+]1Cc1ccccc1 ZINC000431852270 500434273 /nfs/dbraw/zinc/43/42/73/500434273.db2.gz VVDSOTOBIUUVCC-HMXCVIKNSA-N 2 0 357.542 3.420 20 0 FGADRP O=C(N[C@H]1CCC[N@H+](CC[C@@H]2CCC[NH2+]C2)C1)c1ccc2ccccc2c1 ZINC000420296759 500435736 /nfs/dbraw/zinc/43/57/36/500435736.db2.gz DTZDRWFBVBKCFO-AVRDEDQJSA-N 2 0 365.521 3.424 20 0 FGADRP Ic1ccccc1[C@H]1CCC[N@@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000420295733 500435892 /nfs/dbraw/zinc/43/58/92/500435892.db2.gz CNMXMLWSOYEVPM-XJKSGUPXSA-N 2 0 370.278 3.428 20 0 FGADRP Ic1ccccc1[C@H]1CCC[N@@H+]1CC[C@H]1CC[NH2+]C1 ZINC000420295731 500436144 /nfs/dbraw/zinc/43/61/44/500436144.db2.gz CNMXMLWSOYEVPM-CZUORRHYSA-N 2 0 370.278 3.428 20 0 FGADRP COc1ccc([C@H](C[NH3+])C[N@@H+]2CCC[C@H]2c2ccc3c(c2)OCCO3)cc1 ZINC000420297894 500436560 /nfs/dbraw/zinc/43/65/60/500436560.db2.gz DUCKEQGCTSGLCD-QUCCMNQESA-N 2 0 368.477 3.346 20 0 FGADRP Cc1cc(C(=O)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)cc(C)c1F ZINC000424016698 500437123 /nfs/dbraw/zinc/43/71/23/500437123.db2.gz DGPSYGSUHKJAQL-UHFFFAOYSA-N 2 0 369.484 3.166 20 0 FGADRP CC[NH+](CC)C[C@H]1CCCC[C@@H]1NC(=O)NC1CC[NH+](CC(C)C)CC1 ZINC000431877208 500438005 /nfs/dbraw/zinc/43/80/05/500438005.db2.gz ZNQMEVLWRBFCKS-QUCCMNQESA-N 2 0 366.594 3.307 20 0 FGADRP COc1ccc([C@H](C[NH3+])C[N@H+](C)[C@@H](C)c2ccc(-n3cncn3)cc2)cc1 ZINC000420317655 500441180 /nfs/dbraw/zinc/44/11/80/500441180.db2.gz NPBXXBIWCZDQCS-QFBILLFUSA-N 2 0 365.481 3.011 20 0 FGADRP Clc1ccc(-c2noc(CC[N@@H+]3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)n2)cc1 ZINC000420328847 500442797 /nfs/dbraw/zinc/44/27/97/500442797.db2.gz NCJAZGRHXBJNBF-JKSUJKDBSA-N 2 0 360.889 3.254 20 0 FGADRP CCN(C(=O)C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1)[C@H](C)c1ccc(F)cc1 ZINC000420333201 500443222 /nfs/dbraw/zinc/44/32/22/500443222.db2.gz SMLMEKPFDHFJTB-NEWSRXKRSA-N 2 0 361.505 3.057 20 0 FGADRP C[C@H](c1ccccc1Br)[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000420334884 500443726 /nfs/dbraw/zinc/44/37/26/500443726.db2.gz UNKZGKTVMZKSCA-KGLIPLIRSA-N 2 0 353.304 3.197 20 0 FGADRP O=C(CC[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1)Nc1c(Cl)cccc1Cl ZINC000420355238 500447074 /nfs/dbraw/zinc/44/70/74/500447074.db2.gz CEESXCXMLJLBCS-KRWDZBQOSA-N 2 0 356.297 3.398 20 0 FGADRP COc1ccc([C@@H](C[NH3+])C[NH+]2CCC(CCCn3ccnc3)CC2)cc1 ZINC000420361847 500448074 /nfs/dbraw/zinc/44/80/74/500448074.db2.gz NORYUVMDAPVBOO-FQEVSTJZSA-N 2 0 356.514 3.126 20 0 FGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]CCC2CC[NH2+]CC2)CC1 ZINC000420370022 500449292 /nfs/dbraw/zinc/44/92/92/500449292.db2.gz JIUJJUHSBZKPEI-KRWDZBQOSA-N 3 0 362.537 3.008 20 0 FGADRP CC1(C)C[NH2+]CC[C@@H]1[NH2+]CCOc1ccc(Cl)cc1Br ZINC000420372886 500450012 /nfs/dbraw/zinc/45/00/12/500450012.db2.gz YKIZMJRFXIQNBQ-AWEZNQCLSA-N 2 0 361.711 3.459 20 0 FGADRP [NH3+][C@@H]1CCO[C@H](C2CC[NH+](CCOc3ccc(Cl)c(F)c3)CC2)C1 ZINC000420382566 500452057 /nfs/dbraw/zinc/45/20/57/500452057.db2.gz DQZZGOHJRBBCMQ-KDOFPFPSSA-N 2 0 356.869 3.076 20 0 FGADRP CSc1ccc(OCC[NH+]2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)cc1 ZINC000420391107 500453896 /nfs/dbraw/zinc/45/38/96/500453896.db2.gz OARDNSUQZOWMND-LPHOPBHVSA-N 2 0 350.528 3.006 20 0 FGADRP C[C@H]([NH2+]CC[C@H]1CCC[NH2+]C1)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000420416914 500457724 /nfs/dbraw/zinc/45/77/24/500457724.db2.gz WBFZKOPLBHILTK-DLBZAZTESA-N 2 0 352.482 3.374 20 0 FGADRP CO[C@H]1C[C@H]2C[C@@H]([NH2+]CCCC[NH+]3CCN(c4ccccc4)CC3)C[C@H]2C1 ZINC000424265286 500478253 /nfs/dbraw/zinc/47/82/53/500478253.db2.gz JTHUTBBCOPUBRP-MLMHEIKCSA-N 2 0 371.569 3.382 20 0 FGADRP COc1cccc(NC2CC[NH+](C[C@H](C[NH3+])c3ccc(F)cc3)CC2)c1 ZINC000424275776 500479740 /nfs/dbraw/zinc/47/97/40/500479740.db2.gz AZRDNHOQDHMAHA-KRWDZBQOSA-N 2 0 357.473 3.453 20 0 FGADRP C[C@H]1CC2(C[N@@H+]1Cc1cccc(C(=O)N3CCCCC3)c1)CC[NH2+]CC2 ZINC000424298233 500483048 /nfs/dbraw/zinc/48/30/48/500483048.db2.gz UEHCIJAUUGKISK-SFHVURJKSA-N 2 0 355.526 3.277 20 0 FGADRP C[C@H](c1ccc(Cl)cc1)N(C)C(=O)C[N@@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424297577 500483103 /nfs/dbraw/zinc/48/31/03/500483103.db2.gz SYROPUHKISWDQM-HZPDHXFCSA-N 2 0 363.933 3.323 20 0 FGADRP CC1CCN(Cc2csc(NC(=O)CN3CC[C@H]4CCC[C@@H]43)n2)CC1 ZINC000428432511 500509222 /nfs/dbraw/zinc/50/92/22/500509222.db2.gz ZGDPPSQYQXTPJF-WBVHZDCISA-N 2 0 362.543 3.188 20 0 FGADRP CC[N@@H+]1CCCN(C(=O)NC[C@@H](CC(C)C)[NH2+][C@@H](C)c2ccccc2)CC1 ZINC000428690806 500544449 /nfs/dbraw/zinc/54/44/49/500544449.db2.gz LSJCOUKOOUOOAF-PZJWPPBQSA-N 2 0 374.573 3.489 20 0 FGADRP CC[NH+]1CCC(N2CCC[N@H+](CCCOCc3ccccc3)CC2)CC1 ZINC000420985173 500548731 /nfs/dbraw/zinc/54/87/31/500548731.db2.gz VSWVWFMGOWQYCT-UHFFFAOYSA-N 2 0 359.558 3.085 20 0 FGADRP CC[NH+]1CCC(N2CCC[N@H+](C[C@H]3CCC4(CCCCC4)O3)CC2)CC1 ZINC000420985928 500549098 /nfs/dbraw/zinc/54/90/98/500549098.db2.gz XHFMYERNPVIBLD-OAQYLSRUSA-N 2 0 363.590 3.360 20 0 FGADRP CSc1ccc(OC[C@@H](O)C[NH2+]CC[C@H](C)[NH+]2CCCCC2)cc1 ZINC000576631395 506202677 /nfs/dbraw/zinc/20/26/77/506202677.db2.gz NZMQUJYHLHHTFF-IRXDYDNUSA-N 2 0 352.544 3.002 20 0 FGADRP CC[N@@H+]1C[C@@H](C)N(C(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)C[C@H]1C ZINC000428800288 500559019 /nfs/dbraw/zinc/55/90/19/500559019.db2.gz LKYHWEZRRXLXGU-RTBURBONSA-N 2 0 357.542 3.230 20 0 FGADRP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@@H](CN2CCCC2=O)c2cccc(C(F)(F)F)c2)C1 ZINC000576648592 506205253 /nfs/dbraw/zinc/20/52/53/506205253.db2.gz QDFWOMDFEPMSAR-ZACQAIPSSA-N 2 0 369.431 3.228 20 0 FGADRP C[NH+]1CCC(C)(CNC(=O)NCC[NH+]2CCC3(CCCCC3)CC2)CC1 ZINC000442591488 500602045 /nfs/dbraw/zinc/60/20/45/500602045.db2.gz IFGVJUASSPZYJG-UHFFFAOYSA-N 2 0 364.578 3.064 20 0 FGADRP C[C@@H]1C[C@H](NC(=O)c2cccc(C[N@H+](C)Cc3ccccc3)c2)CC[NH2+]1 ZINC000447513858 500615288 /nfs/dbraw/zinc/61/52/88/500615288.db2.gz ZLRISHPPEOAFOT-DYESRHJHSA-N 2 0 351.494 3.189 20 0 FGADRP CCn1cccc(C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c1=O ZINC000433065287 500618049 /nfs/dbraw/zinc/61/80/49/500618049.db2.gz DPKPLWBURYROKN-FDFHNCONSA-N 2 0 365.521 3.259 20 0 FGADRP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+][C@@H]2CCOC4(CCOCC4)C2)C3)cc1 ZINC000447589077 500630788 /nfs/dbraw/zinc/63/07/88/500630788.db2.gz WWEWCFQJZGAWSL-YSFYHYPLSA-N 2 0 370.537 3.500 20 0 FGADRP CCO[C@@H]1C[C@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)[C@]12CCCO2 ZINC000447597676 500631143 /nfs/dbraw/zinc/63/11/43/500631143.db2.gz TUQXBJWHEPMPBW-BRXKOZLESA-N 2 0 370.537 3.498 20 0 FGADRP CN(c1ccccc1NC(=O)CCC[NH+]1CCC([NH3+])CC1)C1CCCC1 ZINC000433143906 500634457 /nfs/dbraw/zinc/63/44/57/500634457.db2.gz ACNOIYKPXCKCOL-UHFFFAOYSA-N 2 0 358.530 3.207 20 0 FGADRP CC1CCN(c2cccc(NC(=O)CCC[NH+]3CCC([NH3+])CC3)c2)CC1 ZINC000433155114 500635931 /nfs/dbraw/zinc/63/59/31/500635931.db2.gz CUMIBQDMUAXAIK-UHFFFAOYSA-N 2 0 358.530 3.065 20 0 FGADRP Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000442871049 500637097 /nfs/dbraw/zinc/63/70/97/500637097.db2.gz AXDFUWZCVPEUCP-AWEZNQCLSA-N 2 0 352.592 3.426 20 0 FGADRP C[C@@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)c1ccc(Br)c(F)c1 ZINC000442872222 500637249 /nfs/dbraw/zinc/63/72/49/500637249.db2.gz HXAINLBEHPIZDU-CYBMUJFWSA-N 2 0 372.326 3.265 20 0 FGADRP C[NH+](C)Cc1ccccc1C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000433162286 500637499 /nfs/dbraw/zinc/63/74/99/500637499.db2.gz UENCNYNGINRRJR-GOSISDBHSA-N 2 0 357.523 3.377 20 0 FGADRP C[C@]1(CCc2ccccc2)CCN(C(=O)CCC[NH+]2CCC([NH3+])CC2)C1 ZINC000433165274 500637701 /nfs/dbraw/zinc/63/77/01/500637701.db2.gz HRXOBSJOGOLMPU-QFIPXVFZSA-N 2 0 357.542 3.061 20 0 FGADRP C[N@@H+]1CCN(CC[NH2+][C@@H]2CCSc3ccc(Cl)cc32)CC1(C)C ZINC000442876593 500637921 /nfs/dbraw/zinc/63/79/21/500637921.db2.gz RXZHQXUQQJVNTA-MRXNPFEDSA-N 2 0 353.963 3.493 20 0 FGADRP CCOc1ccc(Cl)cc1[C@@H](C)[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000442879838 500638429 /nfs/dbraw/zinc/63/84/29/500638429.db2.gz WZLKGFQYPBLSOE-OAHLLOKOSA-N 2 0 353.938 3.415 20 0 FGADRP O=C(NC1CC[NH+](C2CC2)CC1)[C@@]12CCC[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000442897292 500642987 /nfs/dbraw/zinc/64/29/87/500642987.db2.gz MAMZNFKKROQNHA-AUSIDOKSSA-N 2 0 367.537 3.032 20 0 FGADRP Cc1ccccc1NC(=O)Cc1nc(C[N@@H+]2CCC[C@H](CC[NH3+])C2)cs1 ZINC000443056524 500670657 /nfs/dbraw/zinc/67/06/57/500670657.db2.gz CUQIDPDSUUEGMN-MRXNPFEDSA-N 2 0 372.538 3.194 20 0 FGADRP C[NH+](C)CCOc1ccc(NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)cc1 ZINC000433322769 500672834 /nfs/dbraw/zinc/67/28/34/500672834.db2.gz ZAQGJEMMKKSMNZ-FQEVSTJZSA-N 2 0 359.514 3.363 20 0 FGADRP Cn1c2ccc(C(F)(F)F)cc2nc1CN1CC[C@]2(C1)CCC[NH2+]C2 ZINC000573564221 506212466 /nfs/dbraw/zinc/21/24/66/506212466.db2.gz CFZVNROANXAYQV-QGZVFWFLSA-N 2 0 352.404 3.168 20 0 FGADRP O=C(NCc1ccccc1C[NH+]1CCCC1)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000433574417 500715534 /nfs/dbraw/zinc/71/55/34/500715534.db2.gz IUYMFLZBSFYOAV-OAQYLSRUSA-N 2 0 370.541 3.099 20 0 FGADRP Cc1ccc([C@H](CNC(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)[NH+]2CCCC2)o1 ZINC000433608406 500720863 /nfs/dbraw/zinc/72/08/63/500720863.db2.gz KDIDVRRNSBTLKE-OALUTQOASA-N 2 0 374.529 3.041 20 0 FGADRP O=C1[C@@H]([NH+]2CCC(CCC[NH+]3CCCC3)CC2)CCN1c1ccccc1 ZINC000443593866 500742874 /nfs/dbraw/zinc/74/28/74/500742874.db2.gz QFJPDQWKVRQGHS-NRFANRHFSA-N 2 0 355.526 3.380 20 0 FGADRP C[C@@H]1C[C@H](C)CC[N@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000443636333 500748139 /nfs/dbraw/zinc/74/81/39/500748139.db2.gz AYQCVKKONGTELB-RTBURBONSA-N 2 0 357.542 3.267 20 0 FGADRP Cc1cc(C(F)(F)F)ccc1C[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000443639627 500748167 /nfs/dbraw/zinc/74/81/67/500748167.db2.gz GVEIIALLUFNWCR-LPHOPBHVSA-N 2 0 369.475 3.472 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@@H]2CCC[NH+]2C2CCCCC2)C[C@H]1C ZINC000438328861 500770620 /nfs/dbraw/zinc/77/06/20/500770620.db2.gz UNDIWTDWVSRLQW-HOJAQTOUSA-N 2 0 364.578 3.298 20 0 FGADRP COCCN1CCC[C@H]1C[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000438835615 500825378 /nfs/dbraw/zinc/82/53/78/500825378.db2.gz WUTSTEIPCXXERP-HRTMPFAESA-N 2 0 359.558 3.130 20 0 FGADRP CC[NH+](CC)[C@H](C(=O)NCC[C@H]1CCC[NH2+]1)c1cccc(C(F)(F)F)c1 ZINC000444263244 500825678 /nfs/dbraw/zinc/82/56/78/500825678.db2.gz MXRUGRFEJCYOFN-SJORKVTESA-N 2 0 371.447 3.347 20 0 FGADRP CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000439141270 500863249 /nfs/dbraw/zinc/86/32/49/500863249.db2.gz MZKBKACGZSHWAY-IRXDYDNUSA-N 2 0 366.575 3.161 20 0 FGADRP CC(C)[N@@H+](CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)CC1CCC1 ZINC000444768523 500895913 /nfs/dbraw/zinc/89/59/13/500895913.db2.gz UFEVXWJYJLAKPM-UHFFFAOYSA-N 2 0 357.542 3.409 20 0 FGADRP CSc1ccc([C@@H](C)[NH2+]CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)cc1 ZINC000439467960 500900849 /nfs/dbraw/zinc/90/08/49/500900849.db2.gz JRFMHUDJVKNKQQ-UZLBHIALSA-N 2 0 371.550 3.478 20 0 FGADRP CC(C)[C@H](C[NH2+]C1CC[NH+]([C@H](C)Cc2ccccc2)CC1)N1CCOCC1 ZINC000449070439 500917164 /nfs/dbraw/zinc/91/71/64/500917164.db2.gz KFCMFEOYUKDDBR-OFNKIYASSA-N 2 0 373.585 3.028 20 0 FGADRP COc1cccc2c(C[NH2+]C[C@@H](C(C)C)N3CC[NH+](C)CC3)cccc12 ZINC000449072668 500917218 /nfs/dbraw/zinc/91/72/18/500917218.db2.gz GCGZEGRBXYEQQF-NRFANRHFSA-N 2 0 355.526 3.210 20 0 FGADRP C[C@H](C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)c1cc(F)cc(F)c1 ZINC000449073029 500917916 /nfs/dbraw/zinc/91/79/16/500917916.db2.gz MCFUFASRSCJXKE-OAHLLOKOSA-N 2 0 360.452 3.005 20 0 FGADRP CC[NH+]1CCN(CCCC[NH2+][C@H]2CCc3cc(F)c(F)c(F)c32)CC1 ZINC000449079497 500919731 /nfs/dbraw/zinc/91/97/31/500919731.db2.gz OVQCJBPXVPAEBG-INIZCTEOSA-N 2 0 355.448 3.099 20 0 FGADRP C[C@H]([NH2+]C(C)(C)CNC(=O)NCC1CC[NH+](C2CC2)CC1)c1ccccc1 ZINC000444962410 500926034 /nfs/dbraw/zinc/92/60/34/500926034.db2.gz BAAMGKOVXVCWTP-KRWDZBQOSA-N 2 0 372.557 3.289 20 0 FGADRP COc1cc(C[NH2+]C2CCN(C3CC[NH+](C)CC3)CC2)cc2ccccc21 ZINC000449109849 500927208 /nfs/dbraw/zinc/92/72/08/500927208.db2.gz YYKKIKBRKYQHSY-UHFFFAOYSA-N 2 0 367.537 3.497 20 0 FGADRP CCC[C@@H]([NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1)C1CCCC1 ZINC000449128153 500931335 /nfs/dbraw/zinc/93/13/35/500931335.db2.gz YINOHCBNSNNZIF-HXUWFJFHSA-N 2 0 359.562 3.327 20 0 FGADRP COCC1CCC([NH2+][C@@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)CC1 ZINC000449133017 500931880 /nfs/dbraw/zinc/93/18/80/500931880.db2.gz XAXIUNPURJHVKT-MUYFXNHWSA-N 2 0 363.521 3.433 20 0 FGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+]Cc2cc3ccccc3cc2OC)CC1 ZINC000449132968 500932206 /nfs/dbraw/zinc/93/22/06/500932206.db2.gz WOVYHXVDZHKPJX-GOSISDBHSA-N 2 0 355.526 3.212 20 0 FGADRP C[NH2+][C@H](CC(C)(C)C)C(=O)NCC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000449169817 500939280 /nfs/dbraw/zinc/93/92/80/500939280.db2.gz PLTMEHGCUQUCIP-MISYRCLQSA-N 2 0 359.558 3.428 20 0 FGADRP C[C@@H](C[NH2+]C1CC[NH+](C2CCCC2)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000449184855 500943240 /nfs/dbraw/zinc/94/32/40/500943240.db2.gz NJDHSCCPOSBETG-INIZCTEOSA-N 2 0 364.555 3.190 20 0 FGADRP CCNC(=O)N1CC[C@@H]([NH2+]C2CC[NH+](C(C)(C)CC(C)(C)C)CC2)C1 ZINC000449191421 500944330 /nfs/dbraw/zinc/94/43/30/500944330.db2.gz XLARVJWSJNRTSF-QGZVFWFLSA-N 2 0 352.567 3.059 20 0 FGADRP COc1cccc2c(C[NH2+]C3CC[NH+]([C@@H]4CCC[C@H]4O)CC3)cccc12 ZINC000449193349 500945126 /nfs/dbraw/zinc/94/51/26/500945126.db2.gz SDBWWGCHWSPJMQ-NHCUHLMSSA-N 2 0 354.494 3.316 20 0 FGADRP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]CCOc2ncccc2F)CC1 ZINC000449211223 500948808 /nfs/dbraw/zinc/94/88/08/500948808.db2.gz RRAVRYJXODHRLX-QGZVFWFLSA-N 2 0 357.473 3.285 20 0 FGADRP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@@H]2CCN(c3ccccn3)C2)CC1 ZINC000449215206 500949972 /nfs/dbraw/zinc/94/99/72/500949972.db2.gz NDIFTGIFXNADDY-SIKLNZKXSA-N 2 0 364.537 3.346 20 0 FGADRP Cc1cccc(CC[NH2+]Cc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)c1 ZINC000449224560 500951727 /nfs/dbraw/zinc/95/17/27/500951727.db2.gz MEDAZKANHRKYJN-UHFFFAOYSA-N 2 0 365.521 3.153 20 0 FGADRP COc1ccc(C(=O)Nc2cccc(C[N@@H+]3C[C@@H](C[NH3+])C[C@@H]3C)c2)cc1 ZINC000435370262 500961406 /nfs/dbraw/zinc/96/14/06/500961406.db2.gz IFMDPYOWOMVDJH-DOTOQJQBSA-N 2 0 353.466 3.117 20 0 FGADRP COc1c(Br)cccc1C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000435378503 500963787 /nfs/dbraw/zinc/96/37/87/500963787.db2.gz DPMKGDHKUHIKBK-MRXNPFEDSA-N 2 0 353.304 3.422 20 0 FGADRP COc1ccc(Cn2nc(C)c(C[N@@H+]3CCC[C@@H]([C@@H](C)[NH3+])C3)c2C)cc1 ZINC000435380534 500963817 /nfs/dbraw/zinc/96/38/17/500963817.db2.gz OQCQSSHXCTYJNU-DNVCBOLYSA-N 2 0 356.514 3.116 20 0 FGADRP COc1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cc1OCc1cccnc1 ZINC000435383338 500964182 /nfs/dbraw/zinc/96/41/82/500964182.db2.gz GQESNHIBCQHBKZ-UFYCRDLUSA-N 2 0 367.493 3.228 20 0 FGADRP COC(=O)c1cc(C[N@H+](Cc2ccsc2)[C@@H]2CC23CC[NH2+]CC3)c[nH]1 ZINC000435426096 500972920 /nfs/dbraw/zinc/97/29/20/500972920.db2.gz GKUXDKZCLVRHGK-QGZVFWFLSA-N 2 0 359.495 3.007 20 0 FGADRP COc1cc(C[N@H+](C)[C@@H]2CCC[NH2+]CC2)ccc1OCc1ccncc1 ZINC000435431925 500974630 /nfs/dbraw/zinc/97/46/30/500974630.db2.gz KXRITQVENFSVPV-LJQANCHMSA-N 2 0 355.482 3.243 20 0 FGADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC000440115662 500976506 /nfs/dbraw/zinc/97/65/06/500976506.db2.gz BPQAJQFTNIWCFY-LMNJBCLMSA-N 2 0 355.526 3.345 20 0 FGADRP CN(Cc1cc(Cl)cc(Cl)c1)C(=O)CN(C)[C@@H]1CCC[NH2+]CC1 ZINC000435627972 501004303 /nfs/dbraw/zinc/00/43/03/501004303.db2.gz SRAUTVPIZYGFPR-MRXNPFEDSA-N 2 0 358.313 3.026 20 0 FGADRP FC(F)(F)c1cc(CNC2CC[NH+](CCc3ccccc3)CC2)[nH]n1 ZINC000440799160 501049831 /nfs/dbraw/zinc/04/98/31/501049831.db2.gz BBGWWXBCTTVRMB-UHFFFAOYSA-N 2 0 352.404 3.225 20 0 FGADRP CC(C)(C)OC(=O)[C@](C)(O)C[NH2+][C@H]1CCN(C2CC2)[C@@H](c2ccccc2)C1 ZINC000602612869 506231983 /nfs/dbraw/zinc/23/19/83/506231983.db2.gz SDNKNTNYICITEH-LRXVAGHRSA-N 2 0 374.525 3.037 20 0 FGADRP CC[NH+]1CCN(CC(C)(C)[NH2+]C[C@H](C)Cc2ccc(OC)c(F)c2)CC1 ZINC000449747513 501074928 /nfs/dbraw/zinc/07/49/28/501074928.db2.gz XKDUCLCIXNHINX-QGZVFWFLSA-N 2 0 365.537 3.019 20 0 FGADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2CCCOc1cccc(Cl)c1 ZINC000441189358 501100748 /nfs/dbraw/zinc/10/07/48/501100748.db2.gz OAVHOXITDIURDO-BHIYHBOVSA-N 2 0 352.906 3.292 20 0 FGADRP CC[NH+](Cc1cc(C[N@@H+](CC)CC(C)(C)O)ccc1F)CC(C)(C)O ZINC000450414812 501116102 /nfs/dbraw/zinc/11/61/02/501116102.db2.gz ZXPRVWGUJXWUKN-UHFFFAOYSA-N 2 0 354.510 3.011 20 0 FGADRP CC(C)(C)OC(=O)[C@@H](C[NH2+]Cc1ccnn1-c1cc[nH+]cc1)C1CCC1 ZINC000596064639 506236946 /nfs/dbraw/zinc/23/69/46/506236946.db2.gz ZEDICCKYWMBYRT-SFHVURJKSA-N 2 0 356.470 3.115 20 0 FGADRP Cc1ccc([C@@H](CCn2cncn2)[NH2+]CCC[NH+]2CCC(C)CC2)cc1 ZINC000446756477 501161818 /nfs/dbraw/zinc/16/18/18/501161818.db2.gz IYYPDSIYXMHRFM-OAQYLSRUSA-N 2 0 355.530 3.430 20 0 FGADRP Brc1cc2c(c(C[NH2+]CC3CC[NH+](C4CC4)CC3)c1)OCC2 ZINC000446885175 501177774 /nfs/dbraw/zinc/17/77/74/501177774.db2.gz UTVRVVKBIBEATF-UHFFFAOYSA-N 2 0 365.315 3.348 20 0 FGADRP FC1(F)CC[C@H](C[NH+]2CCN([C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)C1 ZINC000450980830 501236518 /nfs/dbraw/zinc/23/65/18/501236518.db2.gz GSTODIWLSJWQMV-VQTJNVASSA-N 2 0 363.496 3.314 20 0 FGADRP C[NH+](C)Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)cc1 ZINC000451083052 501244173 /nfs/dbraw/zinc/24/41/73/501244173.db2.gz HGAHRMNYPFYHLO-HXUWFJFHSA-N 2 0 373.522 3.098 20 0 FGADRP CC(=O)N1CCC(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)CC1 ZINC000453106003 501270238 /nfs/dbraw/zinc/27/02/38/501270238.db2.gz YCQXJUZBCREWQX-YTFSRNRJSA-N 2 0 369.553 3.278 20 0 FGADRP CC[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1)c1ccncc1 ZINC000453107708 501271062 /nfs/dbraw/zinc/27/10/62/501271062.db2.gz JINYLDOHGIYXGT-RTWAWAEBSA-N 2 0 366.509 3.020 20 0 FGADRP C[NH+](C)C1(CN[C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)CCOCC1 ZINC000453126522 501274828 /nfs/dbraw/zinc/27/48/28/501274828.db2.gz SQARMHWETBJXHQ-BDTNDASRSA-N 2 0 371.569 3.130 20 0 FGADRP C[NH+]1CCC(O)(C[NH2+][C@@H]2CCCCc3ccc(Br)cc32)CC1 ZINC000453130792 501275443 /nfs/dbraw/zinc/27/54/43/501275443.db2.gz SVGFMZXBSGKMNE-QGZVFWFLSA-N 2 0 367.331 3.263 20 0 FGADRP C[NH+](C)CCNC(=O)c1ccc(C[NH2+]C2CCc3ccccc3CC2)cc1 ZINC000453148050 501279457 /nfs/dbraw/zinc/27/94/57/501279457.db2.gz QPDRHWQMYKBARY-UHFFFAOYSA-N 2 0 365.521 3.015 20 0 FGADRP CC[C@H](CC(F)F)C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC000457670605 501283272 /nfs/dbraw/zinc/28/32/72/501283272.db2.gz NMORBYAUCRIERJ-BPQIPLTHSA-N 2 0 373.532 3.463 20 0 FGADRP CC(=O)N1CCC[C@H](C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)C1 ZINC000453211799 501292044 /nfs/dbraw/zinc/29/20/44/501292044.db2.gz HAGAULINZIZQTI-SSGKUCQKSA-N 2 0 369.553 3.278 20 0 FGADRP CCNC(=O)C1(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)CCC1 ZINC000453224791 501294498 /nfs/dbraw/zinc/29/44/98/501294498.db2.gz XASWYOPKMQIDLP-HBMCJLEFSA-N 2 0 369.553 3.326 20 0 FGADRP C[C@@H]([NH2+]C[C@@H](O)Cc1cccc(F)c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000453248373 501298458 /nfs/dbraw/zinc/29/84/58/501298458.db2.gz PNGIZAGPLMSMKL-UZLBHIALSA-N 2 0 360.473 3.020 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)Cc2cc(F)cc(OC)c2)[C@H](C)C1 ZINC000453414388 501326967 /nfs/dbraw/zinc/32/69/67/501326967.db2.gz YSIZBFRXURTXOM-LZJOCLMNSA-N 2 0 366.521 3.492 20 0 FGADRP C[C@H]1CCN(C(=O)NCCCC[NH+](C)C2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000455627119 501350345 /nfs/dbraw/zinc/35/03/45/501350345.db2.gz ZKOAKDIZNNUCPF-IBGZPJMESA-N 2 0 372.557 3.167 20 0 FGADRP Cc1ccc([C@H](CNC(=O)NCC[C@@H]2CCC[N@@H+](C)C2)[NH+]2CCCC2)cc1 ZINC000458157334 501381320 /nfs/dbraw/zinc/38/13/20/501381320.db2.gz UTYPTSMWCXETDG-FPOVZHCZSA-N 2 0 372.557 3.163 20 0 FGADRP CC1CC[NH+](Cc2cccc(CNC(=O)NC(C)(C)C[NH+](C)C)c2)CC1 ZINC000458243784 501401989 /nfs/dbraw/zinc/40/19/89/501401989.db2.gz CKELGNIYDIIMSM-UHFFFAOYSA-N 2 0 360.546 3.058 20 0 FGADRP Cc1ccccc1C[NH+]1CCC(NC(=O)C[NH2+][C@H](C)C2CCCC2)CC1 ZINC000451931932 501403232 /nfs/dbraw/zinc/40/32/32/501403232.db2.gz MAHIJDHSYONYDO-GOSISDBHSA-N 2 0 357.542 3.244 20 0 FGADRP C[NH+](C)[C@H]1CCc2cc(NC(=O)N3CC[C@H]([NH+]4CCCCC4)C3)ccc21 ZINC000455892905 501409088 /nfs/dbraw/zinc/40/90/88/501409088.db2.gz CACJDNGJLCSOSU-ICSRJNTNSA-N 2 0 356.514 3.328 20 0 FGADRP Cc1cc(NC(=O)CC2([NH+]3CCOCC3)CCCC2)ccc1C[NH+](C)C ZINC000458284633 501411748 /nfs/dbraw/zinc/41/17/48/501411748.db2.gz MUGMBYBGFJDEEN-UHFFFAOYSA-N 2 0 359.514 3.030 20 0 FGADRP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)C1 ZINC000455923571 501416722 /nfs/dbraw/zinc/41/67/22/501416722.db2.gz MNSSGFCIBQCWHP-JXFKEZNVSA-N 2 0 358.530 3.335 20 0 FGADRP C[NH+](C)CCCC(C)(C)NC(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000458438892 501444518 /nfs/dbraw/zinc/44/45/18/501444518.db2.gz ZUCFVVAMSPWXOO-IBGZPJMESA-N 2 0 360.546 3.071 20 0 FGADRP C[C@H]1C[C@@H](NC(=O)NC(C)(C)CCC[NH+](C)C)CC[N@@H+]1Cc1ccccc1 ZINC000458486394 501455482 /nfs/dbraw/zinc/45/54/82/501455482.db2.gz GPKCAXLTPUEFDT-ICSRJNTNSA-N 2 0 374.573 3.459 20 0 FGADRP CC(C)[NH+]1CCC(C(=O)N2CC[N@H+](Cc3ccccc3)C[C@@H](C)C2)CC1 ZINC000456300336 501492124 /nfs/dbraw/zinc/49/21/24/501492124.db2.gz GUIQCICXVXCTGO-LJQANCHMSA-N 2 0 357.542 3.087 20 0 FGADRP CC(C)[N@H+](C)CC(=O)N1CC(C)(C)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000452454621 501504056 /nfs/dbraw/zinc/50/40/56/501504056.db2.gz VELJJDZDAIOMLH-JOCHJYFZSA-N 2 0 371.569 3.476 20 0 FGADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)NCCCCC[NH+]2CCCC2)C1 ZINC000454358537 501522468 /nfs/dbraw/zinc/52/24/68/501522468.db2.gz GRXINQMSPZZSHK-PZJWPPBQSA-N 2 0 372.557 3.387 20 0 FGADRP CCc1ccc([C@H](CNC(=O)NCC2=CC[N@H+](C)CC2)[NH+](CC)CC)cc1 ZINC000458793099 501532921 /nfs/dbraw/zinc/53/29/21/501532921.db2.gz MCMGOMMOSPSQLA-NRFANRHFSA-N 2 0 372.557 3.193 20 0 FGADRP CN(C(=O)NCCCCC[NH+]1CCCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000458860448 501547191 /nfs/dbraw/zinc/54/71/91/501547191.db2.gz VRMYRYJEEOJVSG-NRFANRHFSA-N 2 0 372.557 3.168 20 0 FGADRP CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000458938239 501562296 /nfs/dbraw/zinc/56/22/96/501562296.db2.gz OXNDIIMFJABQTB-FQEVSTJZSA-N 2 0 366.594 3.260 20 0 FGADRP CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)N1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC000458936316 501562374 /nfs/dbraw/zinc/56/23/74/501562374.db2.gz NDYSQKOOBDJDTI-OALUTQOASA-N 2 0 364.578 3.013 20 0 FGADRP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)NCCCC[N@H+](C)C2CC2)CC1 ZINC000454527931 501570155 /nfs/dbraw/zinc/57/01/55/501570155.db2.gz VVMZEVFFWBSSEI-SFHVURJKSA-N 2 0 372.557 3.386 20 0 FGADRP CC[NH+](CC)CCOC1CC[NH+]([C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000459350536 501637344 /nfs/dbraw/zinc/63/73/44/501637344.db2.gz FWZCWLRRYXJUPQ-OAQYLSRUSA-N 2 0 359.558 3.084 20 0 FGADRP c1ccc(N2CC[NH+](CCCC[NH2+]Cc3cnc(C4CC4)nc3)CC2)cc1 ZINC000459381232 501643434 /nfs/dbraw/zinc/64/34/34/501643434.db2.gz BUYNZFDQOUYNGC-UHFFFAOYSA-N 2 0 365.525 3.046 20 0 FGADRP O=C1C[C@@H]([NH2+]C2CCN(c3cc[nH+]cc3)CC2)CN1c1ccccc1Cl ZINC000459412381 501649561 /nfs/dbraw/zinc/64/95/61/501649561.db2.gz KJVXXNKAGMJRPW-MRXNPFEDSA-N 2 0 370.884 3.099 20 0 FGADRP C[C@@H](C(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1)[NH+]1CCCCCC1 ZINC000457094580 501649671 /nfs/dbraw/zinc/64/96/71/501649671.db2.gz ZTOSTCGLEBTFDW-HNNXBMFYSA-N 2 0 363.468 3.126 20 0 FGADRP CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)[C@@H]1SC ZINC000459414126 501649657 /nfs/dbraw/zinc/64/96/57/501649657.db2.gz PSIUDLCGARVWTI-AQNXPRMDSA-N 2 0 364.555 3.160 20 0 FGADRP C[NH+](C)CCNC(=O)c1ccc(C[NH2+]C2CC(C)(c3ccccc3)C2)cc1 ZINC000459454942 501656504 /nfs/dbraw/zinc/65/65/04/501656504.db2.gz DMTQCFDQMUQRCO-UHFFFAOYSA-N 2 0 365.521 3.188 20 0 FGADRP c1ncn(CC[N@@H+]2CCCCC[C@@H]2C2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000459529632 501670562 /nfs/dbraw/zinc/67/05/62/501670562.db2.gz SBGTVCFPTZSLFJ-JOCHJYFZSA-N 2 0 367.541 3.435 20 0 FGADRP COc1ccc(C)cc1[C@@H](C)[NH2+]CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000459666999 501695563 /nfs/dbraw/zinc/69/55/63/501695563.db2.gz NSMHMKPBEYYLSI-YLJYHZDGSA-N 2 0 369.509 3.073 20 0 FGADRP C[C@@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000459728027 501705391 /nfs/dbraw/zinc/70/53/91/501705391.db2.gz CKTZBTJRBPMTHJ-DLBZAZTESA-N 2 0 365.949 3.399 20 0 FGADRP COc1ccc([C@H](CO)C[NH2+][C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000459764052 501710528 /nfs/dbraw/zinc/71/05/28/501710528.db2.gz WNIQZMUJYBRLEN-NYVOZVTQSA-N 2 0 368.521 3.271 20 0 FGADRP C[N@@H+]1CCC[C@H](CC[NH2+]Cc2cccc(I)c2)C1 ZINC000459796037 501715457 /nfs/dbraw/zinc/71/54/57/501715457.db2.gz VYQQLQRFMIKPLA-CYBMUJFWSA-N 2 0 358.267 3.113 20 0 FGADRP COc1ccc(Cn2nc(C)c(C[NH2+]CC[C@H]3CCC[N@H+](C)C3)c2C)cc1 ZINC000459800681 501715900 /nfs/dbraw/zinc/71/59/00/501715900.db2.gz ZXODGXLDRKZLIM-LJQANCHMSA-N 2 0 370.541 3.378 20 0 FGADRP CCCN(CCC[NH+](C)C)C(=O)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000470663524 501758065 /nfs/dbraw/zinc/75/80/65/501758065.db2.gz PSVZSEVGIHISJQ-LJQANCHMSA-N 2 0 363.521 3.228 20 0 FGADRP C[C@@H](CNC(=O)C1(C[NH+](C)C)CCCCC1)[N@@H+]1CCc2ccccc2C1 ZINC000460278962 501778620 /nfs/dbraw/zinc/77/86/20/501778620.db2.gz DIQOETUVZOBUHM-SFHVURJKSA-N 2 0 357.542 3.062 20 0 FGADRP Cc1ccc([C@@H](C)[N@H+](C)CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)cc1 ZINC000460382868 501809778 /nfs/dbraw/zinc/80/97/78/501809778.db2.gz VJPKKQPMZDOYGX-NQIIRXRSSA-N 2 0 353.510 3.407 20 0 FGADRP CC(C)COC[C@@H](O)C[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000485464836 501828533 /nfs/dbraw/zinc/82/85/33/501828533.db2.gz IZAHFUIWPRBPMB-NRFANRHFSA-N 2 0 360.542 3.008 20 0 FGADRP CCCN(CC[NH+]1CCCCCC1)C(=O)NC[C@@H]1CC[N@H+](CC(C)C)C1 ZINC000460508489 501844043 /nfs/dbraw/zinc/84/40/43/501844043.db2.gz FKSJTHVHWYUDOU-FQEVSTJZSA-N 2 0 366.594 3.262 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@H]1CCCC[NH+](Cc2ccccc2)C1 ZINC000460520465 501847652 /nfs/dbraw/zinc/84/76/52/501847652.db2.gz ISDHUACJDLUNMT-NHCUHLMSSA-N 2 0 372.557 3.072 20 0 FGADRP CC[C@H](C)[NH2+][C@@H](CNC(=O)NC1CC[NH+](C2CCC2)CC1)c1ccco1 ZINC000458775607 501869726 /nfs/dbraw/zinc/86/97/26/501869726.db2.gz RMWCYVPLQPHQNV-YJBOKZPZSA-N 2 0 362.518 3.025 20 0 FGADRP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](CCC(=O)Nc2ccc(Cl)cc2F)C1 ZINC000470959454 501869954 /nfs/dbraw/zinc/86/99/54/501869954.db2.gz IJWCLMSWWWSGOC-HNNXBMFYSA-N 2 0 367.896 3.471 20 0 FGADRP CCC[N@H+](CC)C[C@@H](C)NC(=O)N[C@H](C)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000460647451 501885305 /nfs/dbraw/zinc/88/53/05/501885305.db2.gz HULRIERMGNHXIF-KURKYZTESA-N 2 0 352.567 3.059 20 0 FGADRP CCOC[C@H]1CCC[C@H]1[NH2+]CCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000474602905 501890251 /nfs/dbraw/zinc/89/02/51/501890251.db2.gz UJOIIQBXXCQKGQ-IFMALSPDSA-N 2 0 359.558 3.384 20 0 FGADRP CC[C@@H](CNC(=O)c1ccccc1C[NH+](C)C)[N@@H+]1CCc2ccccc2C1 ZINC000485666025 501893713 /nfs/dbraw/zinc/89/37/13/501893713.db2.gz NMNVOAZRLZSGGD-NRFANRHFSA-N 2 0 365.521 3.315 20 0 FGADRP Fc1cc(Cl)cc(C[NH2+]CCCN2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000485691577 501902937 /nfs/dbraw/zinc/90/29/37/501902937.db2.gz DGEHBUJNRIQFJU-UHFFFAOYSA-N 2 0 362.880 3.176 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N1CC[C@H]([NH+]2CCCC2)[C@@H]1C)CC(C)C ZINC000478198944 501906964 /nfs/dbraw/zinc/90/69/64/501906964.db2.gz BIBITJHGELDGNJ-FHWLQOOXSA-N 2 0 352.567 3.011 20 0 FGADRP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1)[C@@H](C)c1ccc(Cl)cc1 ZINC000474708479 501928226 /nfs/dbraw/zinc/92/82/26/501928226.db2.gz LNQKXKORLHODNE-HLLBOEOZSA-N 2 0 351.922 3.009 20 0 FGADRP CC(C)C[C@H](CNC(=O)N[C@H]1CC[N@@H+](C2CC2)C1)[NH2+][C@H](C)c1ccccc1 ZINC000468021598 501932702 /nfs/dbraw/zinc/93/27/02/501932702.db2.gz KHKSAFBAEVWUFS-YZGWKJHDSA-N 2 0 372.557 3.288 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C2CCC(C)(C(=O)OCC)CC2)[C@H](C)C1 ZINC000474722261 501933107 /nfs/dbraw/zinc/93/31/07/501933107.db2.gz ZFQXVKQPBYIKRV-GUFYVYCGSA-N 2 0 368.562 3.225 20 0 FGADRP O=C(N[C@@H]1CC[N@H+](CC2CCCC2)C1)[C@@H]1CCC[NH+]1Cc1ccccc1 ZINC000464327708 501956046 /nfs/dbraw/zinc/95/60/46/501956046.db2.gz FJLWVSDBGJMJJI-RTWAWAEBSA-N 2 0 355.526 3.032 20 0 FGADRP CC(C)C[NH+]1CCC([NH2+]C[C@@H](O)Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000582541689 506284602 /nfs/dbraw/zinc/28/46/02/506284602.db2.gz NSCHDFARUIVXSS-SFHVURJKSA-N 2 0 358.448 3.319 20 0 FGADRP CCc1nc(C)c([C@@H](C)[NH2+]CCCN2CCN(c3cc[nH+]cc3)CC2)s1 ZINC000482112664 501978848 /nfs/dbraw/zinc/97/88/48/501978848.db2.gz VTDCSLMIKXGIGA-MRXNPFEDSA-N 2 0 373.570 3.272 20 0 FGADRP C[C@H]1Cc2ccc(F)cc2[C@@H]1[NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000482130267 501982740 /nfs/dbraw/zinc/98/27/40/501982740.db2.gz UVFYRVIFWWEDSZ-HTAPYJJXSA-N 2 0 368.500 3.256 20 0 FGADRP Cc1ccc([C@@H](CNC(=O)CC[N@@H+]2CCc3ccccc3C2)[NH+](C)C)cc1 ZINC000471379418 502004264 /nfs/dbraw/zinc/00/42/64/502004264.db2.gz IEFYMDNRBNUUJM-JOCHJYFZSA-N 2 0 365.521 3.162 20 0 FGADRP C[NH+](C)C1(CNC(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)CCCCC1 ZINC000471491378 502044363 /nfs/dbraw/zinc/04/43/63/502044363.db2.gz JGZCXDFNWNAURV-HXUWFJFHSA-N 2 0 372.557 3.072 20 0 FGADRP Cc1ccc(-n2cc(C[NH2+]CCOCC[NH+](C)C)c(C(C)(C)C)n2)cc1 ZINC000471556495 502063809 /nfs/dbraw/zinc/06/38/09/502063809.db2.gz SYRLKJVWIXXQBL-UHFFFAOYSA-N 2 0 358.530 3.146 20 0 FGADRP Cc1ccc(C)c([C@H](C)[NH2+]CCCC[NH+]2CCN(c3ncccn3)CC2)c1 ZINC000482448281 502071224 /nfs/dbraw/zinc/07/12/24/502071224.db2.gz FPJXZJJMYDKXMW-FQEVSTJZSA-N 2 0 367.541 3.346 20 0 FGADRP COc1ccsc1[C@@H](C)[NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000471602019 502083333 /nfs/dbraw/zinc/08/33/33/502083333.db2.gz BAGATRYUZFOWBL-CQSZACIVSA-N 2 0 367.559 3.034 20 0 FGADRP CC(C)[C@@H](C(=O)NCc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1)[NH+](C)C ZINC000464778190 502091611 /nfs/dbraw/zinc/09/16/11/502091611.db2.gz RRTITAWTJCUXPX-UEXGIBASSA-N 2 0 359.558 3.367 20 0 FGADRP CC(C)[C@@H](C(=O)NC[C@@H](c1cccs1)[NH+]1CCC(C)CC1)[NH+](C)C ZINC000464787755 502094599 /nfs/dbraw/zinc/09/45/99/502094599.db2.gz FFYVUBRHGKCNAE-WMZOPIPTSA-N 2 0 351.560 3.224 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)NC[C@@H]1CC[N@H+](CC(C)C)C1)c1ccccc1 ZINC000464825199 502107863 /nfs/dbraw/zinc/10/78/63/502107863.db2.gz CFMWQLVOADXIJN-PZJWPPBQSA-N 2 0 374.573 3.347 20 0 FGADRP COC[C@H](CC(C)C)[NH2+][C@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000482567545 502111799 /nfs/dbraw/zinc/11/17/99/502111799.db2.gz REPXPSFCUNQVSY-AEFFLSMTSA-N 2 0 351.510 3.289 20 0 FGADRP COC1CC[NH+](C(C)(C)CN[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000482636766 502135029 /nfs/dbraw/zinc/13/50/29/502135029.db2.gz MNXQVNFCROUFEQ-SIKLNZKXSA-N 2 0 373.585 3.376 20 0 FGADRP CCN(CCC[NH+](C)C)C(=O)NCC[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000468676157 502143152 /nfs/dbraw/zinc/14/31/52/502143152.db2.gz SDRVGQXZNXIUDG-FPOVZHCZSA-N 2 0 374.573 3.270 20 0 FGADRP CCN(CCC[NH+](CC)CC)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000471839247 502150185 /nfs/dbraw/zinc/15/01/85/502150185.db2.gz ZETZPADEIKERSF-UHFFFAOYSA-N 2 0 374.573 3.414 20 0 FGADRP C[C@H](C[NH2+][C@@H]1CCCc2cc(Br)ccc21)N1CC[NH+](C)CC1 ZINC000479068378 502152568 /nfs/dbraw/zinc/15/25/68/502152568.db2.gz XCUNGDXKWBZXQL-RDTXWAMCSA-N 2 0 366.347 3.052 20 0 FGADRP CCC[N@H+](CC)C[C@@H](C)NC(=O)c1ccc(N2CC[NH+](C(C)C)CC2)cc1 ZINC000461633007 502158724 /nfs/dbraw/zinc/15/87/24/502158724.db2.gz RNNLTAMCXORISJ-LJQANCHMSA-N 2 0 374.573 3.067 20 0 FGADRP CCCN(CCC[NH+](C)C)C(=O)N[C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000468749592 502169069 /nfs/dbraw/zinc/16/90/69/502169069.db2.gz NNUKJOXJVPCLQM-CTNGQTDRSA-N 2 0 374.573 3.270 20 0 FGADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)N[C@H](C)C[NH+](C)Cc2ccccc2)C[C@@H]1C ZINC000461721041 502178935 /nfs/dbraw/zinc/17/89/35/502178935.db2.gz FYNLHRQIMCMOOM-WSTZPKSXSA-N 2 0 360.546 3.021 20 0 FGADRP CC[C@H](C)[NH2+][C@H](CNC(=O)NC[C@H](C)[N@@H+]1CCCC[C@@H]1C)c1ccco1 ZINC000479280022 502213172 /nfs/dbraw/zinc/21/31/72/502213172.db2.gz JBOCCYWFTXSYID-XLAORIBOSA-N 2 0 364.534 3.271 20 0 FGADRP CC[N@H+](C)Cc1cccc(CNC(=O)N[C@H](C)C[NH+]2CCCCCC2)c1 ZINC000482920426 502217952 /nfs/dbraw/zinc/21/79/52/502217952.db2.gz METZOUYVORFPST-GOSISDBHSA-N 2 0 360.546 3.202 20 0 FGADRP C[NH+]1CCC(C(=O)NC[C@@H]2CCCCN2Cc2cccc(Cl)c2)CC1 ZINC000468900166 502222756 /nfs/dbraw/zinc/22/27/56/502222756.db2.gz KRAOFHHSLBIEJE-IBGZPJMESA-N 2 0 363.933 3.153 20 0 FGADRP CC[NH+](CC)CCOc1ccccc1C[NH2+][C@H]1CCCc2nn(C)cc21 ZINC000479338322 502228040 /nfs/dbraw/zinc/22/80/40/502228040.db2.gz VSOXDFSRHJKFEL-IBGZPJMESA-N 2 0 356.514 3.308 20 0 FGADRP CC[C@H](C)[NH2+][C@H](CNC(=O)NC[C@H](C)[N@@H+]1CCC[C@@H](C)C1)c1ccco1 ZINC000479353431 502232548 /nfs/dbraw/zinc/23/25/48/502232548.db2.gz TZTVYCXLMVHTGC-VSZNYVQBSA-N 2 0 364.534 3.128 20 0 FGADRP CC(C)OCC[C@H](O)C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000472150684 502249164 /nfs/dbraw/zinc/24/91/64/502249164.db2.gz FEHBUZOGQPTRJF-FSSWDIPSSA-N 2 0 360.542 3.149 20 0 FGADRP CCCN(C(=O)C1CC[NH+](C)CC1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000461977288 502260444 /nfs/dbraw/zinc/26/04/44/502260444.db2.gz MXBLHVVQNARPRW-NRFANRHFSA-N 2 0 357.542 3.231 20 0 FGADRP CCCN(CC[NH+](CC)CC)C(=O)NCc1cccc(-n2ccnc2)c1 ZINC000461992444 502266341 /nfs/dbraw/zinc/26/63/41/502266341.db2.gz JGPMXHPUILDMKN-UHFFFAOYSA-N 2 0 357.502 3.136 20 0 FGADRP C[C@H]([NH2+]CCCC[NH+]1CCN(CCO)CC1)c1ccc(Cl)cc1Cl ZINC000483113121 502277907 /nfs/dbraw/zinc/27/79/07/502277907.db2.gz ANSMJOAURNTSIV-HNNXBMFYSA-N 2 0 374.356 3.034 20 0 FGADRP CCCN(CC[NH+](CC)CC)Cc1nc2c(s1)C[N@@H+](C(C)C)CC2 ZINC000462071980 502295235 /nfs/dbraw/zinc/29/52/35/502295235.db2.gz GUGFXFLQXHOSTA-UHFFFAOYSA-N 2 0 352.592 3.463 20 0 FGADRP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NC[C@@H](C(C)C)[NH+]1CCC(C)CC1 ZINC000465544392 502300392 /nfs/dbraw/zinc/30/03/92/502300392.db2.gz OKWWFJXCNKSNLT-AQNXPRMDSA-N 2 0 364.578 3.011 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@H]2CC[NH+](Cc3ccccc3)C2)C[C@@H]1C ZINC000472312680 502310907 /nfs/dbraw/zinc/31/09/07/502310907.db2.gz JUFTWIQVDVZEBD-TYPHKJRUSA-N 2 0 372.557 3.023 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccc(Cl)c(C)c1 ZINC000469154843 502317130 /nfs/dbraw/zinc/31/71/30/502317130.db2.gz IYKHQLAQTMXQFV-KRWDZBQOSA-N 2 0 351.922 3.137 20 0 FGADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)N(CC[NH+](C)C)Cc1cccc(Cl)c1 ZINC000475904469 502326960 /nfs/dbraw/zinc/32/69/60/502326960.db2.gz ZHIWOGDTMSUNQC-HNNXBMFYSA-N 2 0 353.938 3.397 20 0 FGADRP O=C(c1cccc(Cl)c1Cl)N1CC[NH+](CCC2CC[NH2+]CC2)CC1 ZINC000479690788 502346569 /nfs/dbraw/zinc/34/65/69/502346569.db2.gz KQGOKMHEYCNJBK-UHFFFAOYSA-N 2 0 370.324 3.141 20 0 FGADRP COc1cc(OC)cc(OCCC[N@H+](C)CC[C@H]2CCCC[NH+]2C)c1 ZINC000472435529 502350553 /nfs/dbraw/zinc/35/05/53/502350553.db2.gz SQJIOXMSHYDBEN-QGZVFWFLSA-N 2 0 350.503 3.279 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)N(C)CC[C@@H]2CCCC[NH+]2C)C1 ZINC000465747429 502369198 /nfs/dbraw/zinc/36/91/98/502369198.db2.gz FNMFPTHAPVCNMN-OTWHNJEPSA-N 2 0 366.594 3.259 20 0 FGADRP CC[NH+](CC)Cc1ccccc1CNC(=O)N1CC[N@H+](C)[C@H](C(C)C)C1 ZINC000487142477 502371178 /nfs/dbraw/zinc/37/11/78/502371178.db2.gz USGUHDGOTZLUBA-FQEVSTJZSA-N 2 0 360.546 3.010 20 0 FGADRP CC[N@H+](CCNC(=O)NC[C@H]1CCC[NH+](C)[C@H]1c1cccs1)C(C)C ZINC000465837350 502398856 /nfs/dbraw/zinc/39/88/56/502398856.db2.gz OHPWWIQYAHWODI-SJLPKXTDSA-N 2 0 366.575 3.161 20 0 FGADRP CC[N@H+](CCNC(=O)NC[C@@H]1CCC[NH+](C)[C@H]1c1cccs1)C(C)C ZINC000465837348 502398934 /nfs/dbraw/zinc/39/89/34/502398934.db2.gz OHPWWIQYAHWODI-FUHWJXTLSA-N 2 0 366.575 3.161 20 0 FGADRP C[C@@H]1CCc2ccccc2[C@H]1NC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000476162671 502402223 /nfs/dbraw/zinc/40/22/23/502402223.db2.gz OIGOVWYNTOADMY-NQIIRXRSSA-N 2 0 374.573 3.225 20 0 FGADRP CC(C)c1nc2c([nH]1)C[C@@H](C(=O)N[C@H]1CC[N@H+](CC3CCCC3)C1)CC2 ZINC000476190481 502408816 /nfs/dbraw/zinc/40/88/16/502408816.db2.gz MBIDMCYSDCHJBN-IRXDYDNUSA-N 2 0 358.530 3.019 20 0 FGADRP CC[NH+](CC)[C@@H]1CCN(C(=O)NC[C@H]2CCC[N@@H+]2CC2CCCCC2)C1 ZINC000465878344 502411306 /nfs/dbraw/zinc/41/13/06/502411306.db2.gz SFGZNPMHBYGXHD-WOJBJXKFSA-N 2 0 364.578 3.157 20 0 FGADRP CC(C)[C@@H]1CN(C(=O)NC2CCC([NH+]3CCC(C)CC3)CC2)CC[N@@H+]1C ZINC000487418107 502438614 /nfs/dbraw/zinc/43/86/14/502438614.db2.gz WXIJIRIKVSSFKP-MHJFOBGBSA-N 2 0 364.578 3.011 20 0 FGADRP CC1CC[NH+](CC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)CC1 ZINC000483600118 502440371 /nfs/dbraw/zinc/44/03/71/502440371.db2.gz RIGDXDCBYZXZKF-FGZHOGPDSA-N 2 0 369.553 3.231 20 0 FGADRP CC[NH+](CC)CCN(Cc1ccccc1)C(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000466033973 502460657 /nfs/dbraw/zinc/46/06/57/502460657.db2.gz DPMZHCZMIKTJNN-AZUAARDMSA-N 2 0 360.546 3.023 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NCCCC[NH+]2C[C@H](C)C[C@H](C)C2)C[C@H]1C ZINC000483690442 502464221 /nfs/dbraw/zinc/46/42/21/502464221.db2.gz GQHAJZIVTXAGBQ-WCIQWLHISA-N 2 0 366.594 3.259 20 0 FGADRP C[N@@H+]1CCCC[C@@H]1CCC(=O)N1CCC([NH+]2CCc3ccccc3C2)CC1 ZINC000483704482 502468715 /nfs/dbraw/zinc/46/87/15/502468715.db2.gz DNLBNAXBQVNJFL-OAQYLSRUSA-N 2 0 369.553 3.300 20 0 FGADRP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N1CCC(CC[NH+]2CCCC[C@H]2C)CC1 ZINC000462524706 502474480 /nfs/dbraw/zinc/47/44/80/502474480.db2.gz ADWDSVFBLNHGRT-RTBURBONSA-N 2 0 366.594 3.401 20 0 FGADRP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000462535744 502479184 /nfs/dbraw/zinc/47/91/84/502479184.db2.gz QBAVOTFOAOOQEH-QRVBRYPASA-N 2 0 352.567 3.011 20 0 FGADRP CC[N@H+](C)Cc1cccc(CNC(=O)N(C)[C@@H]2CC[NH+](CC)[C@H](C)C2)c1 ZINC000483744857 502481865 /nfs/dbraw/zinc/48/18/65/502481865.db2.gz KPYUCHXNEAXQHG-YLJYHZDGSA-N 2 0 360.546 3.153 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NCC[C@@H](C)[NH+](C)Cc2ccccc2)C[C@@H]1C ZINC000483786040 502492395 /nfs/dbraw/zinc/49/23/95/502492395.db2.gz SWXDJBCOYWKQES-DYXWJJEUSA-N 2 0 374.573 3.411 20 0 FGADRP C[C@@H](CCNC(=O)N1CC[NH+](C2CCCC2)CC1)[N@H+](C)Cc1ccccc1 ZINC000473020428 502502008 /nfs/dbraw/zinc/50/20/08/502502008.db2.gz JTQQCNPYDCATMI-IBGZPJMESA-N 2 0 372.557 3.167 20 0 FGADRP C[C@@H]([NH2+]CCN1CCc2ccccc2C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000480256640 502514710 /nfs/dbraw/zinc/51/47/10/502514710.db2.gz LKVKVGFPYVOBPT-LJQANCHMSA-N 2 0 367.537 3.336 20 0 FGADRP C[C@@H]1CN(C(C)(C)C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)C[C@@H](C)O1 ZINC000480261367 502515773 /nfs/dbraw/zinc/51/57/73/502515773.db2.gz IYLWSXDNWFITBK-NXLVEIQXSA-N 2 0 373.585 3.374 20 0 FGADRP CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(C[NH+](C)C)cc2)[C@@H]1Oc1ccccc1 ZINC000480334017 502539822 /nfs/dbraw/zinc/53/98/22/502539822.db2.gz MVVMUNVHBCKRHT-VSKRKVRLSA-N 2 0 354.494 3.463 20 0 FGADRP CCC[N@H+](CC)C[C@@H](C)NC(=O)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000462713234 502545125 /nfs/dbraw/zinc/54/51/25/502545125.db2.gz ZPHGNEBLGXMMNY-WOJBJXKFSA-N 2 0 366.594 3.260 20 0 FGADRP CCc1ccc([C@H](CNC(=O)NC[C@H]2CCCC[N@H+]2CC)[NH+](C)C)cc1 ZINC000476631419 502545492 /nfs/dbraw/zinc/54/54/92/502545492.db2.gz RLCPNFNSJPVJNH-UXHICEINSA-N 2 0 360.546 3.025 20 0 FGADRP CCN(CCC[NH+](C)C)C(=O)NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000462750437 502557560 /nfs/dbraw/zinc/55/75/60/502557560.db2.gz OIOAYNMNNSVEPK-OAQYLSRUSA-N 2 0 374.573 3.272 20 0 FGADRP O=C(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1CCC[NH+]1C1CCCC1 ZINC000473290382 502560068 /nfs/dbraw/zinc/56/00/68/502560068.db2.gz GQIGZFYWVLDYKK-TZIWHRDSSA-N 2 0 355.526 3.032 20 0 FGADRP CC(C)[C@@H](C(=O)NC[C@H](c1cccc(C(F)(F)F)c1)[NH+](C)C)[NH+](C)C ZINC000469883205 502582629 /nfs/dbraw/zinc/58/26/29/502582629.db2.gz HTWULNGKXLPJAX-CVEARBPZSA-N 2 0 359.436 3.011 20 0 FGADRP COc1ccc2oc([C@H](C)[NH2+]C3CCN(CC[NH+](C)C)CC3)c(C)c2c1 ZINC000480532855 502593009 /nfs/dbraw/zinc/59/30/09/502593009.db2.gz ALZWXAPHGVYZGH-INIZCTEOSA-N 2 0 359.514 3.426 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1Nc1cccc(C[NH+]2CC[C@H](O)C2)c1 ZINC000462860398 502602568 /nfs/dbraw/zinc/60/25/68/502602568.db2.gz FZORVWXDRFGWQN-LEOXJPRUSA-N 2 0 365.521 3.186 20 0 FGADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2ccc3c(c2)COC(C)(C)O3)C1 ZINC000469968197 502612513 /nfs/dbraw/zinc/61/25/13/502612513.db2.gz YAGKEKDQACLYTM-LJQANCHMSA-N 2 0 362.514 3.264 20 0 FGADRP O=C(Nc1ccc2c(c1)C[NH2+]CCO2)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000462886189 502614173 /nfs/dbraw/zinc/61/41/73/502614173.db2.gz XEMLAUSWMJWRKG-FQEVSTJZSA-N 2 0 365.477 3.162 20 0 FGADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H](C)c2ccc(OCC(F)(F)F)cc2)CC1 ZINC000480607920 502619477 /nfs/dbraw/zinc/61/94/77/502619477.db2.gz JRUQFDDMANEATJ-CVEARBPZSA-N 2 0 373.463 3.304 20 0 FGADRP C[C@@H](NC(=O)NC1CC[NH+](C(C)(C)C)CC1)[C@@H](c1ccccc1)[NH+](C)C ZINC000484345875 502630200 /nfs/dbraw/zinc/63/02/00/502630200.db2.gz WWHSUDCWHBARFR-APWZRJJASA-N 2 0 360.546 3.240 20 0 FGADRP CCC[NH+](CCC)CCCC(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000473574826 502642004 /nfs/dbraw/zinc/64/20/04/502642004.db2.gz FNPRNPHXVNZIBM-SZPZYZBQSA-N 2 0 371.569 3.479 20 0 FGADRP CC(C)O[C@H]1C[C@@H]([NH2+]Cc2ccc(CN3CC[NH+](C)CC3)cc2)C1(C)C ZINC000463035504 502669276 /nfs/dbraw/zinc/66/92/76/502669276.db2.gz QRUKPEUTWWXQNY-RTWAWAEBSA-N 2 0 359.558 3.116 20 0 FGADRP C[NH+](C)CCOc1ccccc1N1CC[NH+]([C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000463100540 502694443 /nfs/dbraw/zinc/69/44/43/502694443.db2.gz ZPIMSAHBZFCQDP-RBBKRZOGSA-N 2 0 365.521 3.305 20 0 FGADRP Cc1cccc(C(=O)NCC[NH2+][C@@H](C)c2cccc(OCC[NH+](C)C)c2)c1 ZINC000480905183 502701738 /nfs/dbraw/zinc/70/17/38/502701738.db2.gz GZMWSGMVLCGEMU-SFHVURJKSA-N 2 0 369.509 3.016 20 0 FGADRP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CC[NH+](C3CCCC3)CC2)C1 ZINC000477223689 502712091 /nfs/dbraw/zinc/71/20/91/502712091.db2.gz QMKBGRCXRMWUQP-SFHVURJKSA-N 2 0 364.578 3.157 20 0 FGADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H](CO)Cc2cccc(OC(F)(F)F)c2)[C@@H](C)C1 ZINC000470249528 502716955 /nfs/dbraw/zinc/71/69/55/502716955.db2.gz XYLDJNLMLXCJOL-ZVZYQTTQSA-N 2 0 374.447 3.056 20 0 FGADRP c1ccc(C[N@@H+]2CC[C@H](N3CC[NH+]([C@@H]4C[C@H]4c4ccccc4)CC3)C2)cc1 ZINC000463215178 502723031 /nfs/dbraw/zinc/72/30/31/502723031.db2.gz NXNTYIPSBZSMEI-KMDXXIMOSA-N 2 0 361.533 3.435 20 0 FGADRP CC[NH+](CC)CCCNC(=O)NC1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000473873880 502734089 /nfs/dbraw/zinc/73/40/89/502734089.db2.gz HMZSKHWGRIZWFP-OALUTQOASA-N 2 0 374.573 3.174 20 0 FGADRP Cc1cc([C@H]2CCC[NH+]2CCOCC[N@H+]2CCC[C@@H]2c2cc(C)no2)on1 ZINC000488587856 502759552 /nfs/dbraw/zinc/75/95/52/502759552.db2.gz RAQSZSXQISAQML-QZTJIDSGSA-N 2 0 374.485 3.270 20 0 FGADRP Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)c1ccc2c(c1)C[NH2+]C2 ZINC000470449434 502778595 /nfs/dbraw/zinc/77/85/95/502778595.db2.gz HDWVRRASIXXKRA-UHFFFAOYSA-N 2 0 367.518 3.399 20 0 FGADRP C[C@H](N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)C(=O)NCc1ccccc1 ZINC000481199157 502780838 /nfs/dbraw/zinc/78/08/38/502780838.db2.gz OUFSSQDTYOMUNA-XQBPLPMBSA-N 2 0 365.521 3.192 20 0 FGADRP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)c1ccc2c(c1)C[NH2+]C2 ZINC000470464178 502784780 /nfs/dbraw/zinc/78/47/80/502784780.db2.gz GEFCNHKYAQKOAO-IRXDYDNUSA-N 2 0 363.505 3.176 20 0 FGADRP CC(C)[NH+](CCCNC(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)C(C)C ZINC000470476544 502789053 /nfs/dbraw/zinc/78/90/53/502789053.db2.gz ZITWOOWEEKXJNK-NRFANRHFSA-N 2 0 374.573 3.459 20 0 FGADRP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)NCCC[NH+]1CCCC1 ZINC000509131526 502828722 /nfs/dbraw/zinc/82/87/22/502828722.db2.gz IWMQGQCUZHGPMX-HXUWFJFHSA-N 2 0 372.557 3.072 20 0 FGADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CC[C@H]([NH+]3CCCC3)[C@H]2C)C1 ZINC000496588773 502895412 /nfs/dbraw/zinc/89/54/12/502895412.db2.gz BINDLZDDLYTSQA-QRVBRYPASA-N 2 0 364.578 3.155 20 0 FGADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CC[C@@H]([NH+]3CCCC3)[C@@H]2C)C1 ZINC000496588771 502895560 /nfs/dbraw/zinc/89/55/60/502895560.db2.gz BINDLZDDLYTSQA-IPMKNSEASA-N 2 0 364.578 3.155 20 0 FGADRP C[C@@H](C(=O)NC1CCCCC1)[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501048512 502922283 /nfs/dbraw/zinc/92/22/83/502922283.db2.gz VXTOVCXKAYISEV-KRWDZBQOSA-N 2 0 358.530 3.067 20 0 FGADRP C[N@H+](CCC(=O)NCC1CCCCC1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501049108 502922402 /nfs/dbraw/zinc/92/24/02/502922402.db2.gz SPNVUCBVNMHHSR-UHFFFAOYSA-N 2 0 372.557 3.316 20 0 FGADRP COc1cccc([C@H]2C[C@H](C)C[N@@H+]2CCCN2CC[NH+](C(C)C)CC2)c1 ZINC000501063146 502925588 /nfs/dbraw/zinc/92/55/88/502925588.db2.gz GFZZFNHEBJMCOR-SIKLNZKXSA-N 2 0 359.558 3.494 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)NCC[N@@H+]1CCCC[C@H]1C)c1ccsc1 ZINC000501161797 502952179 /nfs/dbraw/zinc/95/21/79/502952179.db2.gz GNSYWPOGJTXGSL-AEFFLSMTSA-N 2 0 366.575 3.305 20 0 FGADRP COC(=O)c1cc(C[NH2+]CC[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)c[nH]1 ZINC000513508350 502955282 /nfs/dbraw/zinc/95/52/82/502955282.db2.gz YAJLGJFDCUNKEV-AEFFLSMTSA-N 2 0 355.482 3.192 20 0 FGADRP Cc1ccc([C@H](CNC(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)[NH+]2CCCC2)cc1 ZINC000489435624 502957955 /nfs/dbraw/zinc/95/79/55/502957955.db2.gz XDWAGBLONZVDTN-HBMCJLEFSA-N 2 0 372.557 3.304 20 0 FGADRP CC(C)[C@H]1CC[C@H](C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000509663122 502961341 /nfs/dbraw/zinc/96/13/41/502961341.db2.gz HQNCPPSAIYQSFT-MXVIHJGJSA-N 2 0 372.557 3.172 20 0 FGADRP COCC[C@@H](c1ccccc1)[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000497495848 502973231 /nfs/dbraw/zinc/97/32/31/502973231.db2.gz OPFGBLAMSGCVFR-PJEZACDQSA-N 2 0 357.542 3.007 20 0 FGADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC000489565479 502987693 /nfs/dbraw/zinc/98/76/93/502987693.db2.gz ZRXOCRZGNQCBPN-SQNIBIBYSA-N 2 0 352.567 3.059 20 0 FGADRP COCc1ccccc1/C=C(\C)C[NH2+]C[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000509829678 502993821 /nfs/dbraw/zinc/99/38/21/502993821.db2.gz WUWBZYAMMYNOCC-PGPKDTDWSA-N 2 0 359.558 3.098 20 0 FGADRP C[C@@H](CC[NH+](C)C)NC(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000497589153 502995313 /nfs/dbraw/zinc/99/53/13/502995313.db2.gz OQLGSWFZAYKEKU-SFHVURJKSA-N 2 0 360.546 3.202 20 0 FGADRP C[N@@H+]1CC[C@H]([NH2+]Cc2cc(Cl)c3c(c2)OCCCO3)[C@H]2CCC[C@H]21 ZINC000513667334 502995423 /nfs/dbraw/zinc/99/54/23/502995423.db2.gz QNILEKZDSYCMRV-HYVNUMGLSA-N 2 0 350.890 3.464 20 0 FGADRP C[N@@H+]1CC[C@H]([NH2+]CCOc2ccc(Br)cc2)[C@H]2CCC[C@@H]21 ZINC000513690589 503001747 /nfs/dbraw/zinc/00/17/47/503001747.db2.gz KVSJRXCOWJONAZ-IKGGRYGDSA-N 2 0 353.304 3.290 20 0 FGADRP CC(C)CCNC(=O)[C@H](C)[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000489676842 503009059 /nfs/dbraw/zinc/00/90/59/503009059.db2.gz IXHLHTAMHQWJSL-IBGZPJMESA-N 2 0 359.558 3.381 20 0 FGADRP O[C@@H](C[NH2+]CC(c1ccc(F)cc1)c1ccc(F)cc1)C[NH+]1CCCC1 ZINC000501447463 503011499 /nfs/dbraw/zinc/01/14/99/503011499.db2.gz JJJUZLIYXMEUHP-FQEVSTJZSA-N 2 0 360.448 3.143 20 0 FGADRP COC(=O)c1cc2c(o1)c(OC)ccc2C[N@H+](C)CC1CC[NH+](C)CC1 ZINC000513750199 503015955 /nfs/dbraw/zinc/01/59/55/503015955.db2.gz CLTDOANFLTYNFA-UHFFFAOYSA-N 2 0 360.454 3.002 20 0 FGADRP C[NH+](C)[C@@H](CNC(=O)NCC1([NH+](C)C)CCCCCC1)c1ccsc1 ZINC000501501885 503022548 /nfs/dbraw/zinc/02/25/48/503022548.db2.gz LRDMLJTXJABZAD-KRWDZBQOSA-N 2 0 366.575 3.305 20 0 FGADRP C[C@@H](CNC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)[N@@H+]1CCCC[C@H]1C ZINC000501533603 503032148 /nfs/dbraw/zinc/03/21/48/503032148.db2.gz SAMRWYPAJUXSTI-MOPGFXCFSA-N 2 0 372.557 3.345 20 0 FGADRP C[C@H](CNC(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1)[N@@H+]1CCCC[C@H]1C ZINC000501535667 503032192 /nfs/dbraw/zinc/03/21/92/503032192.db2.gz XARAPVSAAMPLCW-SBHAEUEKSA-N 2 0 372.557 3.386 20 0 FGADRP C[NH+](C)[C@H](CNC(=O)NCCC[N@H+](C)C1CCCCC1)c1cccs1 ZINC000501575439 503042378 /nfs/dbraw/zinc/04/23/78/503042378.db2.gz OCGONHMORCQNRY-QGZVFWFLSA-N 2 0 366.575 3.305 20 0 FGADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NCCC[NH+]1CCCCC1 ZINC000489861511 503051243 /nfs/dbraw/zinc/05/12/43/503051243.db2.gz OJZZYGKEWVDAKL-FPOVZHCZSA-N 2 0 372.557 3.072 20 0 FGADRP [NH3+]CC[C@H]1CCCCN1Cc1csc(CC(=O)Nc2ccccc2)n1 ZINC000489910795 503062948 /nfs/dbraw/zinc/06/29/48/503062948.db2.gz YHEOQPDAQHFYQS-QGZVFWFLSA-N 2 0 358.511 3.028 20 0 FGADRP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000514032292 503072441 /nfs/dbraw/zinc/07/24/41/503072441.db2.gz FEUVHASHBGHRRH-RTBURBONSA-N 2 0 372.557 3.202 20 0 FGADRP Cc1ccc([C@H](CNC(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)[NH+]2CCCC2)cc1 ZINC000514053813 503076060 /nfs/dbraw/zinc/07/60/60/503076060.db2.gz BEFDBDNEAQWWSX-NJYVYQBISA-N 2 0 370.541 3.058 20 0 FGADRP C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@@H]1C)[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000501773239 503077668 /nfs/dbraw/zinc/07/76/68/503077668.db2.gz HXDKAPRXRXLTGT-LXZJYRNTSA-N 2 0 351.579 3.370 20 0 FGADRP C[N@@H+]1CCCC[C@@H]1CCC(=O)NC[C@]1(C)CCC[NH+]1Cc1ccccc1 ZINC000506267035 503082349 /nfs/dbraw/zinc/08/23/49/503082349.db2.gz GPCUUEKVBVQQNS-IRLDBZIGSA-N 2 0 357.542 3.422 20 0 FGADRP CC[NH+]1CCC(NC(=O)NCC[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC000510336829 503094357 /nfs/dbraw/zinc/09/43/57/503094357.db2.gz NPKNONXPQKASOR-ICSRJNTNSA-N 2 0 372.557 3.071 20 0 FGADRP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NCCCC[NH+]1CCCC[C@H]1C ZINC000514126812 503094699 /nfs/dbraw/zinc/09/46/99/503094699.db2.gz MIZNKWGOCKNJFL-IYWMVGAKSA-N 2 0 366.594 3.307 20 0 FGADRP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000498054563 503096660 /nfs/dbraw/zinc/09/66/60/503096660.db2.gz PDGAJDRWHRGENZ-RXVVDRJESA-N 2 0 357.542 3.087 20 0 FGADRP CCC[NH+]1CCC(CNC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)CC1 ZINC000490171631 503122352 /nfs/dbraw/zinc/12/23/52/503122352.db2.gz GHZIECOLGFPUAH-WIYYLYMNSA-N 2 0 372.557 3.071 20 0 FGADRP CC(C)[C@H](CNC(=O)NCC1([NH+](C)C)CCCC1)[NH+]1CCCCCC1 ZINC000514565408 503137433 /nfs/dbraw/zinc/13/74/33/503137433.db2.gz RGUFJNXINLDYJG-SFHVURJKSA-N 2 0 352.567 3.061 20 0 FGADRP CCC[N@H+](CC)C[C@H](C)NC(=O)N[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000514640594 503155647 /nfs/dbraw/zinc/15/56/47/503155647.db2.gz VXRGKNXVPSUQJA-IRFCIJBXSA-N 2 0 374.573 3.459 20 0 FGADRP CC(C)(C)NC(=O)C[NH+]1CCC(C[NH2+][C@H]2CCC[C@H]2CCCF)CC1 ZINC000510677269 503170366 /nfs/dbraw/zinc/17/03/66/503170366.db2.gz ANXIIEBGLKQRDG-ROUUACIJSA-N 2 0 355.542 3.121 20 0 FGADRP COc1cc(C[NH+]2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)cc(Cl)c1OC ZINC000514719503 503176897 /nfs/dbraw/zinc/17/68/97/503176897.db2.gz DUOKIUWHXWZIPM-WMZOPIPTSA-N 2 0 368.905 3.076 20 0 FGADRP CC(C)[NH+](CCNC(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1)C(C)C ZINC000506905188 503191864 /nfs/dbraw/zinc/19/18/64/503191864.db2.gz ZEGCPMBEAPWEQL-VQTJNVASSA-N 2 0 366.594 3.401 20 0 FGADRP CCC[C@H]([NH2+]C(C)C)C(=O)N1CCC[C@@H]([N@H+](C)Cc2ccccn2)CC1 ZINC000507090687 503228432 /nfs/dbraw/zinc/22/84/32/503228432.db2.gz VDLTYOKUNBODFZ-UXHICEINSA-N 2 0 360.546 3.061 20 0 FGADRP C[C@@H]1C[N@H+](CCOc2cccc(C(C)(C)C)c2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000491020163 503261926 /nfs/dbraw/zinc/26/19/26/503261926.db2.gz NBHRIFJIGSBZDV-KNQAVFIVSA-N 2 0 373.585 3.321 20 0 FGADRP COc1cccc(C[NH+]2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)c1OC(F)F ZINC000515139593 503279492 /nfs/dbraw/zinc/27/94/92/503279492.db2.gz PGYACTRDCHLMPK-WBVHZDCISA-N 2 0 370.440 3.015 20 0 FGADRP CC(C)[NH+](CCNC(=O)NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1)C(C)C ZINC000502846193 503287404 /nfs/dbraw/zinc/28/74/04/503287404.db2.gz NVGLPSGRZSWFKI-RTBURBONSA-N 2 0 354.583 3.163 20 0 FGADRP CC[C@H](CNC(=O)[C@H](C)[N@H+]1[C@H](C)CC[C@@H]1C)[NH+]1CCc2ccccc2C1 ZINC000511257311 503288974 /nfs/dbraw/zinc/28/89/74/503288974.db2.gz CYNDUOZPFWHPHQ-TWFHAPMSSA-N 2 0 357.542 3.201 20 0 FGADRP CC(C)(CNC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1)[NH+]1CCCCC1 ZINC000502874995 503296121 /nfs/dbraw/zinc/29/61/21/503296121.db2.gz HKERIHDKCPHWAB-FQEVSTJZSA-N 2 0 357.542 3.279 20 0 FGADRP Cc1ccccc1[C@H]([C@H](C)NC(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1)[NH+](C)C ZINC000502897258 503302514 /nfs/dbraw/zinc/30/25/14/503302514.db2.gz WAQAMNLDEKPFRF-CUWPLCDZSA-N 2 0 372.557 3.302 20 0 FGADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000502963091 503315266 /nfs/dbraw/zinc/31/52/66/503315266.db2.gz XXOYFNCZVJIFCY-OAQYLSRUSA-N 2 0 372.557 3.346 20 0 FGADRP C[NH+](C)[C@@H](CNC(=O)CC[C@H]1CCCC[N@@H+]1C)c1ccc(Cl)cc1 ZINC000515419607 503334763 /nfs/dbraw/zinc/33/47/63/503334763.db2.gz DARYQUZEGNUVJM-MSOLQXFVSA-N 2 0 351.922 3.323 20 0 FGADRP CCN(CC[NH+]1CCCCCC1)C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000499108271 503336371 /nfs/dbraw/zinc/33/63/71/503336371.db2.gz DBIZWPQZIIYGCO-UHFFFAOYSA-N 2 0 364.578 3.301 20 0 FGADRP COc1ccc(C[NH2+]CC2CC[NH+](C3CC3)CC2)c(Br)c1 ZINC000511754922 503380999 /nfs/dbraw/zinc/38/09/99/503380999.db2.gz KMWOBTGUFSEJLX-UHFFFAOYSA-N 2 0 353.304 3.422 20 0 FGADRP C[NH+]1CCC(Oc2ccc(CNC(=O)CC[C@H]3CCCC[N@@H+]3C)cc2)CC1 ZINC000511860599 503402132 /nfs/dbraw/zinc/40/21/32/503402132.db2.gz DBNMRBMDDBLSJX-LJQANCHMSA-N 2 0 373.541 3.040 20 0 FGADRP CC[NH+](CC)C[C@H](C)NC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000503428899 503407390 /nfs/dbraw/zinc/40/73/90/503407390.db2.gz UBDFBNKVDOOCRR-OALUTQOASA-N 2 0 352.567 3.014 20 0 FGADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)NCC1(C)CC[NH+](C)CC1 ZINC000508061735 503421517 /nfs/dbraw/zinc/42/15/17/503421517.db2.gz YFGOYRAQNHBTCN-UHFFFAOYSA-N 2 0 360.546 3.058 20 0 FGADRP C[C@H](C[NH2+]C[C@H](O)CO[C@H](C)c1ccc(Cl)cc1)C[NH+]1CCCCC1 ZINC000516048596 503437099 /nfs/dbraw/zinc/43/70/99/503437099.db2.gz JYXQYACBBZHAEI-HLIPFELVSA-N 2 0 368.949 3.490 20 0 FGADRP C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+]CCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000493694972 503440598 /nfs/dbraw/zinc/44/05/98/503440598.db2.gz ZLQGPLYMXKJFNM-XXBNENTESA-N 2 0 371.569 3.130 20 0 FGADRP OC[C@@H]1CCN(Cc2ccccc2)C[C@@H]1[NH2+]C/C=C\c1ccc(F)c(F)c1 ZINC000512054402 503445309 /nfs/dbraw/zinc/44/53/09/503445309.db2.gz UNCABXWCMQRWSS-XEULDKCWSA-N 2 0 372.459 3.451 20 0 FGADRP Cc1cc(Br)cc2c1[C@H]([NH2+]CC1CC[NH+](CCO)CC1)CC2 ZINC000493945389 503463510 /nfs/dbraw/zinc/46/35/10/503463510.db2.gz QPTMNPYOKHOEGY-QGZVFWFLSA-N 2 0 367.331 3.039 20 0 FGADRP CCCC[N@H+](CC)Cc1cccc(CNC(=O)N2CC[NH+]3CCC2CC3)c1 ZINC000499732131 503469615 /nfs/dbraw/zinc/46/96/15/503469615.db2.gz LIUHRLBIYMAYTK-UHFFFAOYSA-N 2 0 372.557 3.298 20 0 FGADRP CCC[NH+]1CCN(c2ccccc2CN2C[C@H]([NH+]3CCCC3)C[C@@H]2C)CC1 ZINC000516215160 503472630 /nfs/dbraw/zinc/47/26/30/503472630.db2.gz IKKJTMUVXUXKGS-RBBKRZOGSA-N 2 0 370.585 3.277 20 0 FGADRP Cn1c(C[NH2+]CC2(C)CC[NH+](C)CC2)nc2cc(C(F)(F)F)ccc21 ZINC000503947749 503495929 /nfs/dbraw/zinc/49/59/29/503495929.db2.gz UWJYYGHOKZVUQS-UHFFFAOYSA-N 2 0 354.420 3.414 20 0 FGADRP Fc1ccc(C[NH2+][C@@H]2CCO[C@@H]2C2CC2)cc1C[NH2+][C@H]1CCO[C@H]1C1CC1 ZINC000582706960 506375910 /nfs/dbraw/zinc/37/59/10/506375910.db2.gz VZPVGYVWHPUGQG-MBDNFAEBSA-N 2 0 374.500 3.140 20 0 FGADRP O=C([C@H]1CCCC[N@@H+]1Cc1ccccc1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000608013372 506375978 /nfs/dbraw/zinc/37/59/78/506375978.db2.gz ARTOXFFNMWLPAM-LEWJYISDSA-N 2 0 355.526 3.128 20 0 FGADRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCc1c[nH]c2cccc(Br)c12 ZINC000516441931 503513264 /nfs/dbraw/zinc/51/32/64/503513264.db2.gz HGTAHUJECYYYJL-WFASDCNBSA-N 2 0 350.304 3.403 20 0 FGADRP C[NH+](C)C[C@@H]1CC[N@H+](CCC(=O)N[C@H](c2cccs2)c2ccccc2)C1 ZINC000512318861 503518880 /nfs/dbraw/zinc/51/88/80/503518880.db2.gz TXSGKCWKRYNTPZ-UWJYYQICSA-N 2 0 371.550 3.227 20 0 FGADRP C[C@@H]([NH2+]Cc1ccc2cnn(C)c2c1)c1cccc(OCC[NH+](C)C)c1 ZINC000516522209 503526973 /nfs/dbraw/zinc/52/69/73/503526973.db2.gz GEKINZZDYJFYLA-MRXNPFEDSA-N 2 0 352.482 3.365 20 0 FGADRP C[C@@H]1CCC[C@@](CNC(=O)NC[C@H](c2ccccc2)[NH+](C)C)([NH+](C)C)C1 ZINC000516559060 503536238 /nfs/dbraw/zinc/53/62/38/503536238.db2.gz RLCPMDLDMXRPQX-YFVAEKQCSA-N 2 0 360.546 3.099 20 0 FGADRP Cc1ccc(C(=O)NCC[NH2+][C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000508693738 503544424 /nfs/dbraw/zinc/54/44/24/503544424.db2.gz BJQXSLDCWAVDJZ-KNQAVFIVSA-N 2 0 365.521 3.225 20 0 FGADRP C[C@@H]1C[C@H](CCNC(=O)N(C)CC[NH+]2CCCC2)C[N@@H+]1Cc1ccccc1 ZINC000512430983 503549114 /nfs/dbraw/zinc/54/91/14/503549114.db2.gz WIJKFYZVFNEYTI-CTNGQTDRSA-N 2 0 372.557 3.024 20 0 FGADRP C[C@H](NC(=O)N(CC[NH+](C)C)C1CCCC1)[C@H](c1ccccc1)[NH+](C)C ZINC000508856716 503578870 /nfs/dbraw/zinc/57/88/70/503578870.db2.gz WCYPJSXTWWZGLQ-FXAWDEMLSA-N 2 0 360.546 3.194 20 0 FGADRP C[C@H](NC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1)[C@H](c1ccccc1)[NH+](C)C ZINC000508867943 503583272 /nfs/dbraw/zinc/58/32/72/503583272.db2.gz UNRFSJZYFNXBCV-SESVDKBCSA-N 2 0 372.557 3.338 20 0 FGADRP Cc1ccccc1[C@H]([C@H](C)NC(=O)N1CC[C@H]([NH+]2CCCCC2)C1)[NH+](C)C ZINC000508869451 503583599 /nfs/dbraw/zinc/58/35/99/503583599.db2.gz ICXBZRJUQHILGW-ZJOUEHCJSA-N 2 0 372.557 3.256 20 0 FGADRP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCC[C@@H](CN2CCOCC2)C1 ZINC000504582631 503592805 /nfs/dbraw/zinc/59/28/05/503592805.db2.gz OYTIBILKJUDVPG-QFIPXVFZSA-N 2 0 373.585 3.189 20 0 FGADRP Cc1ccccc1[C@H]([C@H](C)NC(=O)N1CC[C@@H]([NH+]2CCCC2)[C@H]1C)[NH+](C)C ZINC000508903528 503596183 /nfs/dbraw/zinc/59/61/83/503596183.db2.gz YDGZWBFEGBKEGF-ZSXPUABSSA-N 2 0 372.557 3.254 20 0 FGADRP C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000512642490 503601697 /nfs/dbraw/zinc/60/16/97/503601697.db2.gz QDXYFIFXHXBJQO-PDLVNTSBSA-N 2 0 353.554 3.359 20 0 FGADRP CN(CC[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)CC(F)(F)F ZINC000512653204 503604298 /nfs/dbraw/zinc/60/42/98/503604298.db2.gz DEORUCWNVZYMNV-GBESFXJTSA-N 2 0 369.475 3.371 20 0 FGADRP c1nnc(C2CC2)n1CC[NH2+][C@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000512670799 503608847 /nfs/dbraw/zinc/60/88/47/503608847.db2.gz BHWDUBYMJNSLDZ-HBMCJLEFSA-N 2 0 365.525 3.046 20 0 FGADRP COc1ccc([C@@H](C[NH+]2CCCC2)NC(=O)C2CC[NH+](C(C)C)CC2)cc1 ZINC000500393118 503613433 /nfs/dbraw/zinc/61/34/33/503613433.db2.gz LAYZIOTWGUWPDU-OAQYLSRUSA-N 2 0 373.541 3.069 20 0 FGADRP CCC[N@H+](C)[C@H](CNC(=O)N1CCC[NH+](C)CC1)c1ccc(Cl)cc1 ZINC000509037907 503627065 /nfs/dbraw/zinc/62/70/65/503627065.db2.gz LUKZUPPLDJQJLV-GOSISDBHSA-N 2 0 366.937 3.070 20 0 FGADRP CCCN(CC[NH+]1CCCCC1)C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000500567658 503647752 /nfs/dbraw/zinc/64/77/52/503647752.db2.gz YSEPSVLKNNGOII-SFTDATJTSA-N 2 0 372.557 3.339 20 0 FGADRP CC[C@H]([NH2+][C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C)c1ccccc1F ZINC000495067894 503656024 /nfs/dbraw/zinc/65/60/24/503656024.db2.gz PSKIOSGQVDQZEO-SFTDATJTSA-N 2 0 371.500 3.156 20 0 FGADRP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(C)c(OCC(=O)OC)c(C)c2)C[C@H]1C ZINC000536660017 503664897 /nfs/dbraw/zinc/66/48/97/503664897.db2.gz SHQPEUJZJKLZGG-IEBWSBKVSA-N 2 0 362.514 3.160 20 0 FGADRP C[NH+](C)CCc1ccccc1NC(=O)[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000527113997 503684946 /nfs/dbraw/zinc/68/49/46/503684946.db2.gz XIRJQMOOSLFONW-HXUWFJFHSA-N 2 0 366.509 3.036 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC2CCN(c3cc[nH+]cc3)CC2)[C@@H](C)C1 ZINC000540137808 503685897 /nfs/dbraw/zinc/68/58/97/503685897.db2.gz RDPOVVOIZXUWED-UGKGYDQZSA-N 2 0 374.573 3.025 20 0 FGADRP COc1ccc([C@@H](OC)[C@@H](C)[NH2+]Cc2cn(-c3cc[nH+]cc3)nc2C)cc1 ZINC000543237000 503691832 /nfs/dbraw/zinc/69/18/32/503691832.db2.gz LEFFPLLMWZWSNO-IERDGZPVSA-N 2 0 366.465 3.450 20 0 FGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCOc2ccc(F)c(F)c2)[C@@H](C)C1 ZINC000540167748 503695702 /nfs/dbraw/zinc/69/57/02/503695702.db2.gz SHAUGUWETIXABW-HNAYVOBHSA-N 2 0 356.457 3.070 20 0 FGADRP CC[N@H+](CCC1CCN(C(=O)N[C@@H]2CC[NH+](C3CC3)C2)CC1)CC(C)C ZINC000540267174 503727747 /nfs/dbraw/zinc/72/77/47/503727747.db2.gz SDZYLOZMKOHATD-LJQANCHMSA-N 2 0 364.578 3.013 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C2CCC(c3nc(C)no3)CC2)[C@H](C)C1 ZINC000536845935 503738930 /nfs/dbraw/zinc/73/89/30/503738930.db2.gz NGVFMQGZKOSZFR-HJZRJOMTSA-N 2 0 364.534 3.131 20 0 FGADRP Cc1nn(-c2cc[nH+]cc2)cc1CN1CCC[C@@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000543397058 503752758 /nfs/dbraw/zinc/75/27/58/503752758.db2.gz VZUQZYHXXIGDOC-LLGFUMIMSA-N 2 0 353.514 3.413 20 0 FGADRP Cc1cc([C@H]([NH2+]C2CCN(CC[NH+](C)C)CC2)c2cccnc2)ccc1F ZINC000543409396 503758289 /nfs/dbraw/zinc/75/82/89/503758289.db2.gz KCOYTWCCNNLMBY-QFIPXVFZSA-N 2 0 370.516 3.234 20 0 FGADRP O=C(CCc1ccccc1)N1CCC([NH2+]C2CC[NH+](CC3CC3)CC2)CC1 ZINC000540408357 503761167 /nfs/dbraw/zinc/76/11/67/503761167.db2.gz AWSLPARJBJWNMS-UHFFFAOYSA-N 2 0 369.553 3.074 20 0 FGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]Cc2ccc(OC)nc2)CC1 ZINC000540410289 503762337 /nfs/dbraw/zinc/76/23/37/503762337.db2.gz NOGYMVYUMLCAOA-MRXNPFEDSA-N 2 0 372.488 3.222 20 0 FGADRP C[C@H](NC(=O)C[NH+]1CCC(C[NH+](C)C)CC1)c1ccc(Cl)cc1Cl ZINC000533242418 503772996 /nfs/dbraw/zinc/77/29/96/503772996.db2.gz AHTIRRHEJABBFT-ZDUSSCGKSA-N 2 0 372.340 3.444 20 0 FGADRP CC[NH+](CC)CCOc1ccc(C(=O)NC[C@H]2CC[N@@H+]2C2CCCC2)cc1 ZINC000530026424 503800351 /nfs/dbraw/zinc/80/03/51/503800351.db2.gz UCLXBPQHIYHDGJ-HXUWFJFHSA-N 2 0 373.541 3.154 20 0 FGADRP C[NH+](C)C[C@@H](NC(=O)C1CC[NH+](C)CC1)c1ccc(Cl)c(Cl)c1 ZINC000530031206 503803386 /nfs/dbraw/zinc/80/33/86/503803386.db2.gz CDGUUVFIDUJEQI-MRXNPFEDSA-N 2 0 358.313 3.054 20 0 FGADRP C[C@@H]1C[NH+](CCOc2ccc(CC[NH2+][C@H]3CCCOCC3)cc2)C[C@H]1C ZINC000546606314 503806175 /nfs/dbraw/zinc/80/61/75/503806175.db2.gz WSOJMKNHJXKCEB-SBHAEUEKSA-N 2 0 360.542 3.354 20 0 FGADRP CC[NH+]1CCC(CNC(=O)NCC(C)(C)[NH2+][C@@H](C)c2ccccc2)CC1 ZINC000517769880 503833004 /nfs/dbraw/zinc/83/30/04/503833004.db2.gz WEDZFRLXKGBEPZ-KRWDZBQOSA-N 2 0 360.546 3.147 20 0 FGADRP Cc1ccc(NC(=O)NC(=O)C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)cc1C ZINC000533409132 503834079 /nfs/dbraw/zinc/83/40/79/503834079.db2.gz OJQCRZIFXOBJAD-UHFFFAOYSA-N 2 0 374.529 3.004 20 0 FGADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)CCCc1ccc2ccccc2c1 ZINC000540629024 503838342 /nfs/dbraw/zinc/83/83/42/503838342.db2.gz ROELKECUCUNRHN-UHFFFAOYSA-N 2 0 355.526 3.114 20 0 FGADRP CC(C)CC[NH+]1CCC(CNC(=O)N(C)[C@H](C)C2CC[NH+](C)CC2)CC1 ZINC000543667771 503846236 /nfs/dbraw/zinc/84/62/36/503846236.db2.gz JXXSQPUEEPXTOI-GOSISDBHSA-N 2 0 366.594 3.116 20 0 FGADRP CN(CCC[NH+](C)C)C(=O)N[C@@H](C[N@@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000543673367 503848414 /nfs/dbraw/zinc/84/84/14/503848414.db2.gz BLGVBZYXPARZPP-FQEVSTJZSA-N 2 0 374.573 3.053 20 0 FGADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1cnc(C2CCCCC2)s1 ZINC000546726033 503853580 /nfs/dbraw/zinc/85/35/80/503853580.db2.gz WXWCGLIXHWOHEL-MRXNPFEDSA-N 2 0 350.576 3.306 20 0 FGADRP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)CCN(C)c2cc[nH+]cc2)CC1 ZINC000543713127 503862382 /nfs/dbraw/zinc/86/23/82/503862382.db2.gz GZAYSSPJMVRKHL-GOSISDBHSA-N 2 0 366.509 3.250 20 0 FGADRP C[NH+]1CCN(c2ccc(C[NH2+]Cc3ccsc3C(F)(F)F)cn2)CC1 ZINC000527634637 503868371 /nfs/dbraw/zinc/86/83/71/503868371.db2.gz BWPOFYCCBIAJMY-UHFFFAOYSA-N 2 0 370.444 3.204 20 0 FGADRP O=C(C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1)Nc1ccc(Cl)c(F)c1 ZINC000530222036 503881978 /nfs/dbraw/zinc/88/19/78/503881978.db2.gz QRNSRQQLPVVEML-UONOGXRCSA-N 2 0 353.869 3.129 20 0 FGADRP O=C1c2ccccc2C(=O)N1[C@@H]1CCCC[C@H]([NH2+]CCC[NH+]2CCCC2)C1 ZINC000533548880 503886067 /nfs/dbraw/zinc/88/60/67/503886067.db2.gz ASUKOLNPHRSTDS-ZWKOTPCHSA-N 2 0 369.509 3.059 20 0 FGADRP COc1cc(C)c(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)c(C)n1 ZINC000543779829 503888979 /nfs/dbraw/zinc/88/89/79/503888979.db2.gz HOEDRDXHSLNYIP-UHFFFAOYSA-N 2 0 361.530 3.031 20 0 FGADRP C[C@@H](c1ncc(-c2ccccc2)o1)[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530240009 503889190 /nfs/dbraw/zinc/88/91/90/503889190.db2.gz JKTKTWPMJBHRJF-LPHOPBHVSA-N 2 0 355.482 3.493 20 0 FGADRP Clc1ccc(C[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)c2ncccc12 ZINC000530241232 503889367 /nfs/dbraw/zinc/88/93/67/503889367.db2.gz OLIDPGGKYJDTOC-QGZVFWFLSA-N 2 0 359.901 3.479 20 0 FGADRP Clc1ccc(C[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)c2ncccc12 ZINC000530241231 503889863 /nfs/dbraw/zinc/88/98/63/503889863.db2.gz OLIDPGGKYJDTOC-KRWDZBQOSA-N 2 0 359.901 3.479 20 0 FGADRP FC(F)(F)c1ccccc1OCC[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530243758 503892412 /nfs/dbraw/zinc/89/24/12/503892412.db2.gz YLOMGYDNOHDVNG-MRXNPFEDSA-N 2 0 372.431 3.175 20 0 FGADRP CCc1ccc([C@H](C)[NH2+][C@@H](Cc2ccccc2)C(=O)NCC[NH+](C)C)cc1 ZINC000540788149 503893273 /nfs/dbraw/zinc/89/32/73/503893273.db2.gz YVVRDDCEIFPNMM-AVRDEDQJSA-N 2 0 367.537 3.189 20 0 FGADRP c1nc(C[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)sc1-c1ccccc1 ZINC000530247927 503893367 /nfs/dbraw/zinc/89/33/67/503893367.db2.gz DNYOPMJDMREPNO-GOSISDBHSA-N 2 0 357.523 3.401 20 0 FGADRP C[NH+](C)CCOc1cccc(NC(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)c1 ZINC000518098396 503908653 /nfs/dbraw/zinc/90/86/53/503908653.db2.gz DUPPCRCNPSCZHL-LJQANCHMSA-N 2 0 374.529 3.109 20 0 FGADRP CCO[C@@H]1C[C@H]([NH2+][C@H](C)c2ccc(OCC[NH+](C)C)cc2)[C@]12CCCO2 ZINC000546871582 503910752 /nfs/dbraw/zinc/91/07/52/503910752.db2.gz AQDUGCVQOPKHJB-UMSONDCASA-N 2 0 362.514 3.004 20 0 FGADRP CCO[C@@H]1C[C@H]([NH2+]C2CC[NH+]([C@@H]3CCC[C@H](C)C3)CC2)[C@]12CCCO2 ZINC000546961331 503939134 /nfs/dbraw/zinc/93/91/34/503939134.db2.gz GDQRYJYIDCPRGR-JOZSIVFUSA-N 2 0 350.547 3.346 20 0 FGADRP CC(C)[N@@H+](C)C[C@H](C)NC(=O)NC[C@H]1CCC[NH+](C)[C@@H]1c1cccs1 ZINC000518271000 503941354 /nfs/dbraw/zinc/94/13/54/503941354.db2.gz ZCQPLXDXDVAXFE-JZXOWHBKSA-N 2 0 366.575 3.159 20 0 FGADRP COc1cc2c(cc1C[NH+]1CCC(OCC[NH+]3CCCC3)CC1)O[C@@H](C)C2 ZINC000537620631 503978481 /nfs/dbraw/zinc/97/84/81/503978481.db2.gz VPHUJCRNTZDUQA-KRWDZBQOSA-N 2 0 374.525 3.095 20 0 FGADRP C[NH+](C)CCN(C(=O)[C@H]1CCC[N@H+](Cc2cccnc2)C1)C1CCCCC1 ZINC000518428463 503981786 /nfs/dbraw/zinc/98/17/86/503981786.db2.gz SNBQSBQBPATXKG-FQEVSTJZSA-N 2 0 372.557 3.017 20 0 FGADRP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCc2cccc(C[NH+](C)C)c2)C1 ZINC000518452509 503989597 /nfs/dbraw/zinc/98/95/97/503989597.db2.gz ATCGNONNTZQESQ-SFHVURJKSA-N 2 0 374.573 3.448 20 0 FGADRP C[NH+]1CCN(C[C@H]([NH2+]CCSCc2ccccc2)c2ccccc2)CC1 ZINC000530516042 503993890 /nfs/dbraw/zinc/99/38/90/503993890.db2.gz BLHWFKSJVDRXCB-QFIPXVFZSA-N 2 0 369.578 3.498 20 0 FGADRP C[C@H](CCc1n[nH]c2ccccc21)[NH2+]CCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000541155301 504024176 /nfs/dbraw/zinc/02/41/76/504024176.db2.gz BGWNVNKYAXURGG-SQNIBIBYSA-N 2 0 358.530 3.363 20 0 FGADRP C[N@@H+]1CCC[C@@H](CNC(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)C1 ZINC000518669714 504039506 /nfs/dbraw/zinc/03/95/06/504039506.db2.gz KTSLNUNBUPBWIF-NRFANRHFSA-N 2 0 372.557 3.204 20 0 FGADRP C[C@H]1CN(C2CC2)C[C@@H]1[NH2+]CCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000518757727 504055159 /nfs/dbraw/zinc/05/51/59/504055159.db2.gz JPXBQVCOUPANFH-LRDDRELGSA-N 2 0 355.404 3.106 20 0 FGADRP C[C@H](CCN1C(=O)c2ccccc2C1=O)[NH2+]CCCC[NH+]1CCC(C)CC1 ZINC000547367929 504079081 /nfs/dbraw/zinc/07/90/81/504079081.db2.gz UFORVCJWNOHVNL-GOSISDBHSA-N 2 0 371.525 3.163 20 0 FGADRP C[C@@H](CNC(=O)NCC[C@H](C)[NH+]1CCCCC1)[N@H+](C)Cc1ccccc1 ZINC000544303737 504079772 /nfs/dbraw/zinc/07/97/72/504079772.db2.gz SCKOXEDPRNAKGZ-OALUTQOASA-N 2 0 360.546 3.071 20 0 FGADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+](CCO)[C@@H]1CCCc2ccccc21 ZINC000544347009 504096832 /nfs/dbraw/zinc/09/68/32/504096832.db2.gz AUEJBBFBAKWTOL-JOCHJYFZSA-N 2 0 362.477 3.448 20 0 FGADRP Cc1cc([C@@H]([NH2+]C[C@@H](C)CN2CC[NH+](C)CC2)c2cccnc2)ccc1F ZINC000544357346 504101389 /nfs/dbraw/zinc/10/13/89/504101389.db2.gz KQSPFNHFSSCFPT-VGOFRKELSA-N 2 0 370.516 3.092 20 0 FGADRP C[C@@H](OC[C@H](O)C[NH2+]CC1CC[NH+](C2CC2)CC1)c1ccc(Cl)cc1 ZINC000518966137 504105568 /nfs/dbraw/zinc/10/55/68/504105568.db2.gz DKCLVOSJPBCWLA-FOIQADDNSA-N 2 0 366.933 3.243 20 0 FGADRP CCCC[N@H+](C)CC1CC[NH+](Cc2ccc(-n3cncn3)c(F)c2)CC1 ZINC000534332161 504113728 /nfs/dbraw/zinc/11/37/28/504113728.db2.gz URPLWQCMLAFTRJ-UHFFFAOYSA-N 2 0 359.493 3.350 20 0 FGADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)[C@H]1C[C@@H]1c1cccc(Cl)c1Cl ZINC000530879882 504118287 /nfs/dbraw/zinc/11/82/87/504118287.db2.gz AFPGQWDOJOPEKB-CABCVRRESA-N 2 0 372.340 3.049 20 0 FGADRP C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]CC[S@@](=O)c1ccccc1 ZINC000547508900 504131116 /nfs/dbraw/zinc/13/11/16/504131116.db2.gz JSSXKJHBCPCBKC-IOZGHAEBSA-N 2 0 356.535 3.294 20 0 FGADRP Cc1ncc2c(n1)CC[C@H]([NH2+]C1CC[NH+]([C@H](C)Cc3ccccc3)CC1)C2 ZINC000519076320 504133424 /nfs/dbraw/zinc/13/34/24/504133424.db2.gz HKNPWMQZPYPVET-VGSWGCGISA-N 2 0 364.537 3.328 20 0 FGADRP CSC1(C[NH2+][C@@H](C)c2nnn(-c3ccc(C)cc3)c2C)CC[NH+](C)CC1 ZINC000519129674 504146100 /nfs/dbraw/zinc/14/61/00/504146100.db2.gz IEGUGYWRBNTLLJ-INIZCTEOSA-N 2 0 373.570 3.362 20 0 FGADRP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@H+]2CCC[C@H]2C(C)C)CC1 ZINC000519287658 504183728 /nfs/dbraw/zinc/18/37/28/504183728.db2.gz MSVVZKHCFJQRMC-NRFANRHFSA-N 2 0 357.542 3.150 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)NCC[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000519381314 504207969 /nfs/dbraw/zinc/20/79/69/504207969.db2.gz WXWUDGWFLFVUTG-QYZOEREBSA-N 2 0 352.567 3.203 20 0 FGADRP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000541786732 504255140 /nfs/dbraw/zinc/25/51/40/504255140.db2.gz DYHVOFHQLSPFCO-RXVVDRJESA-N 2 0 372.557 3.195 20 0 FGADRP C[C@H](CCNC(=O)N1CCC[N@@H+](C(C)(C)C)CC1)[NH+](C)Cc1ccccc1 ZINC000531322892 504265829 /nfs/dbraw/zinc/26/58/29/504265829.db2.gz VTVAAOQVIBPVFS-LJQANCHMSA-N 2 0 374.573 3.413 20 0 FGADRP C[C@H]([NH2+]C[C@H](CO)Cc1ccc(F)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000548155491 504350760 /nfs/dbraw/zinc/35/07/60/504350760.db2.gz UIRZATKMBFWYBH-BWAGFHJFSA-N 2 0 370.512 3.477 20 0 FGADRP C[C@@H](NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)C1(c2ccccc2)CCCC1 ZINC000548189461 504364424 /nfs/dbraw/zinc/36/44/24/504364424.db2.gz UTVWVYYCSLXDMC-LJQANCHMSA-N 2 0 374.573 3.022 20 0 FGADRP CC(C)[N@H+](C)CCC[NH2+][C@H](C)CC(=O)Nc1cccc(Br)c1 ZINC000542141778 504378765 /nfs/dbraw/zinc/37/87/65/504378765.db2.gz SYIRDCNZZGCPJJ-CQSZACIVSA-N 2 0 370.335 3.486 20 0 FGADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1ccc(-c2cccs2)o1 ZINC000542164248 504386607 /nfs/dbraw/zinc/38/66/07/504386607.db2.gz RREWHDOUWJYDCH-UHFFFAOYSA-N 2 0 363.527 3.354 20 0 FGADRP COc1cccc(CC[NH2+][C@H]2CCN(Cc3ccccn3)C[C@H]2C)c1OC ZINC000531700285 504396632 /nfs/dbraw/zinc/39/66/32/504396632.db2.gz FOKIYDJWFLDIOQ-XLIONFOSSA-N 2 0 369.509 3.142 20 0 FGADRP C[C@H]1CCC[C@@](CNC(=O)N2CCC[N@@H+](C(C)(C)C)CC2)([NH+](C)C)C1 ZINC000520192372 504431376 /nfs/dbraw/zinc/43/13/76/504431376.db2.gz OYCSAFZQFJMLJG-FXAWDEMLSA-N 2 0 352.567 3.013 20 0 FGADRP Cn1ccnc1[C@H]1CCN(C(=O)[C@@H]2CCCN2Cc2ccc(Cl)cc2)C1 ZINC000528908857 504444582 /nfs/dbraw/zinc/44/45/82/504444582.db2.gz RPEBGLCOHYBPLW-WMZOPIPTSA-N 2 0 372.900 3.054 20 0 FGADRP C[C@@H]([NH2+][C@@H]1CN(C)Cc2ccccc21)c1cccc(OCC[NH+](C)C)c1 ZINC000539050359 504457427 /nfs/dbraw/zinc/45/74/27/504457427.db2.gz IKEQGOUJXVPCMV-VGOFRKELSA-N 2 0 353.510 3.464 20 0 FGADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCC[NH+](Cc2cccc(F)c2)C1 ZINC000520346877 504473911 /nfs/dbraw/zinc/47/39/11/504473911.db2.gz FSLWHKPDVWRCNT-ICSRJNTNSA-N 2 0 361.505 3.028 20 0 FGADRP c1ccc(C[NH+]2CCCCC2)c(C[NH2+]C2CCN(c3cnccn3)CC2)c1 ZINC000531945972 504483483 /nfs/dbraw/zinc/48/34/83/504483483.db2.gz NSUSCFMOMSFBJO-UHFFFAOYSA-N 2 0 365.525 3.221 20 0 FGADRP O=C(NCc1ccccc1C[NH+]1CCCC1)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000520703632 504560764 /nfs/dbraw/zinc/56/07/64/504560764.db2.gz LYTHHCUAXJVSID-HXUWFJFHSA-N 2 0 370.541 3.099 20 0 FGADRP C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000532191750 504568784 /nfs/dbraw/zinc/56/87/84/504568784.db2.gz QDIYQXNIIKZQRX-ATZDWAIDSA-N 2 0 363.933 3.293 20 0 FGADRP CC[NH+](CC)CC1CC[NH+]([C@H](C)C(=O)N[C@H](C)c2ccc(F)cc2)CC1 ZINC000520792560 504582630 /nfs/dbraw/zinc/58/26/30/504582630.db2.gz ZWHYOXSXCNCUIT-IAGOWNOFSA-N 2 0 363.521 3.445 20 0 FGADRP c1ccc(N2CC[NH+](CCCC[NH2+][C@@H]3[C@@H]4CCO[C@H]4C34CCC4)CC2)cc1 ZINC000539494969 504588571 /nfs/dbraw/zinc/58/85/71/504588571.db2.gz ATJZGMWAYALKJA-BHDDXSALSA-N 2 0 369.553 3.136 20 0 FGADRP CC[NH+]1CCN([C@@H](C)C[NH2+]Cc2cc(-c3ccccc3)ccc2OC)CC1 ZINC000532300278 504602958 /nfs/dbraw/zinc/60/29/58/504602958.db2.gz LTIGFMKALVYZHD-IBGZPJMESA-N 2 0 367.537 3.478 20 0 FGADRP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+]2CC[C@H](C)C(C)(C)C2)CC1 ZINC000520902275 504607362 /nfs/dbraw/zinc/60/73/62/504607362.db2.gz XGVJRAUQBSPZCV-IBGZPJMESA-N 2 0 371.569 3.444 20 0 FGADRP C[C@H]1[C@@H](NC(=O)Nc2ccc3c(c2)C[NH2+]CC3)CC[N@@H+]1Cc1ccccc1 ZINC000521001355 504626472 /nfs/dbraw/zinc/62/64/72/504626472.db2.gz QZOBISWQMAIEOO-KKSFZXQISA-N 2 0 364.493 3.117 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)N[C@H]2CC[NH+](C)[C@@H]2c2ccccc2)C1 ZINC000536100487 504633763 /nfs/dbraw/zinc/63/37/63/504633763.db2.gz VLZWVIKUPROHPL-IZZBFERCSA-N 2 0 372.557 3.099 20 0 FGADRP Cc1ccc(C[NH2+]CCCC[NH+]2C[C@@H](C)O[C@H](C)C2)c(-c2ccnn2C)c1 ZINC000548976732 504642738 /nfs/dbraw/zinc/64/27/38/504642738.db2.gz FCOXQBSISLUDNK-RTBURBONSA-N 2 0 370.541 3.375 20 0 FGADRP CC[C@@H]([NH2+][C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C)c1cccs1 ZINC000539688520 504654064 /nfs/dbraw/zinc/65/40/64/504654064.db2.gz FTVRSXDPSIDRRR-MSOLQXFVSA-N 2 0 359.539 3.078 20 0 FGADRP COc1ccc(-c2noc([C@@H](C)[N@@H+]3CC[C@@H](c4nccn4C)C3)n2)cc1 ZINC000521455945 504740225 /nfs/dbraw/zinc/74/02/25/504740225.db2.gz WOLVKBHJRNNNFJ-UKRRQHHQSA-N 2 0 353.426 3.029 20 0 FGADRP Clc1cccc(OCCC[NH+]2CCC(C[NH+]3CCOCC3)CC2)c1 ZINC000521476672 504743868 /nfs/dbraw/zinc/74/38/68/504743868.db2.gz PLGZDJMRHMRYCY-UHFFFAOYSA-N 2 0 352.906 3.153 20 0 FGADRP C[C@@H](C[NH2+]C[C@@H]1CCN1C1CCCCC1)c1ccc(S(C)(=O)=O)cc1 ZINC000529641205 504750708 /nfs/dbraw/zinc/75/07/08/504750708.db2.gz OFVWRUFVCVPLQP-LPHOPBHVSA-N 2 0 364.555 3.190 20 0 FGADRP CCC[NH+]1CCC(CNC(=O)N[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000565061291 504784882 /nfs/dbraw/zinc/78/48/82/504784882.db2.gz AMDXMOMHRBBXAC-QFIPXVFZSA-N 2 0 372.557 3.072 20 0 FGADRP COC1CC[NH+](C(C)(C)CN[C@@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)CC1 ZINC000556076506 504791574 /nfs/dbraw/zinc/79/15/74/504791574.db2.gz OJKPTUJSGQTLDG-CTNGQTDRSA-N 2 0 359.558 3.301 20 0 FGADRP CC[NH+](CC)CCCNC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000549448099 504824797 /nfs/dbraw/zinc/82/47/97/504824797.db2.gz FGQRYNGAJMMQSB-FQEVSTJZSA-N 2 0 374.573 3.318 20 0 FGADRP C[C@H]1C[C@@H](NC(=O)NCC(C)(C)[N@@H+]2CCc3ccccc3C2)c2nccn21 ZINC000562585394 504868733 /nfs/dbraw/zinc/86/87/33/504868733.db2.gz RRBNZJHIRGEMFM-MAUKXSAKSA-N 2 0 367.497 3.025 20 0 FGADRP C[C@@H]1CCc2ccccc2[C@@H]1[NH2+]C[C@@H](O)CN1CCc2ccccc2C1 ZINC000553305105 504877822 /nfs/dbraw/zinc/87/78/22/504877822.db2.gz JQFROKOZRODBOB-ODOSVJCGSA-N 2 0 350.506 3.319 20 0 FGADRP O=C(C1CC[NH+](Cc2ccccc2)CC1)N1CCC[N@H+](CC2CCC2)CC1 ZINC000549729980 504883288 /nfs/dbraw/zinc/88/32/88/504883288.db2.gz YAUXTMSUFXPDFZ-UHFFFAOYSA-N 2 0 369.553 3.233 20 0 FGADRP COc1ccccc1[C@H](CC(C)C)[NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000553410326 504907561 /nfs/dbraw/zinc/90/75/61/504907561.db2.gz TZDMSCCGBIEEBE-FQEVSTJZSA-N 2 0 373.541 3.115 20 0 FGADRP C[NH+](C)Cc1ccc(C[NH2+]C[C@H](O)COc2cccc3ccccc32)cc1 ZINC000559731090 504917218 /nfs/dbraw/zinc/91/72/18/504917218.db2.gz VHYNLEKHVVGRTR-NRFANRHFSA-N 2 0 364.489 3.431 20 0 FGADRP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000553448644 504917705 /nfs/dbraw/zinc/91/77/05/504917705.db2.gz JADDPRZASXKQJB-WCIQWLHISA-N 2 0 364.578 3.013 20 0 FGADRP C[C@@H]1CC[C@H]([NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)[C@H](n2cncn2)C1 ZINC000559732732 504918481 /nfs/dbraw/zinc/91/84/81/504918481.db2.gz PXLPJYCXLYEFJW-JRGCBEDISA-N 2 0 353.514 3.393 20 0 FGADRP C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)[C@H](n2cncn2)C1 ZINC000559732728 504918692 /nfs/dbraw/zinc/91/86/92/504918692.db2.gz PXLPJYCXLYEFJW-DUXKGJEZSA-N 2 0 353.514 3.393 20 0 FGADRP C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)NCC3(C)CC[NH2+]CC3)cc2)C1 ZINC000562790144 504945982 /nfs/dbraw/zinc/94/59/82/504945982.db2.gz WKBWZCBQPOZIKT-SFHVURJKSA-N 2 0 372.557 3.107 20 0 FGADRP CC[C@@H](Cn1cncn1)[NH2+]Cc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000559906826 504948199 /nfs/dbraw/zinc/94/81/99/504948199.db2.gz DVAFGDRAABOFMX-IBGZPJMESA-N 2 0 353.470 3.072 20 0 FGADRP O[C@H](Cc1ccc(F)cc1)C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000550097514 504966033 /nfs/dbraw/zinc/96/60/33/504966033.db2.gz RMVUJIOZMXLRAM-DHIUTWEWSA-N 2 0 368.496 3.327 20 0 FGADRP C[C@H](NC(=O)NCCC[N@@H+]1CCCC[C@H]1C)[C@H](c1ccccc1)[NH+](C)C ZINC000562878776 504974129 /nfs/dbraw/zinc/97/41/29/504974129.db2.gz ZZUBUVQAHTUPPP-WSTZPKSXSA-N 2 0 360.546 3.242 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)c1ccc(C[NH+](C)C)nc1)c1ccsc1 ZINC000550139597 504975750 /nfs/dbraw/zinc/97/57/50/504975750.db2.gz GKRAPRFAGWRBOF-SFHVURJKSA-N 2 0 360.527 3.018 20 0 FGADRP CCC(CC)(CNC(=O)N1CCC[C@H](C[NH3+])C1)[NH2+][C@H](C)c1ccccc1 ZINC000565765991 504981845 /nfs/dbraw/zinc/98/18/45/504981845.db2.gz XYIVVGVDKXFQTR-QZTJIDSGSA-N 2 0 360.546 3.276 20 0 FGADRP COc1ccc(C[NH+]2CCC(C[NH2+][C@@H]3CC[N@H+](C)[C@H]4CCC[C@H]43)CC2)cc1 ZINC000556870585 505001410 /nfs/dbraw/zinc/00/14/10/505001410.db2.gz GRHGWPKYRNRHIM-ZRBLBEILSA-N 2 0 371.569 3.370 20 0 FGADRP CCc1nncn1CC[NH2+][C@@H]1CCCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000556884071 505005848 /nfs/dbraw/zinc/00/58/48/505005848.db2.gz PIZLLRBUUAFKHK-NJDAHSKKSA-N 2 0 367.541 3.121 20 0 FGADRP C[C@H]([NH2+]CCC(=O)Nc1ccc(Br)cc1)C(C)(C)C[NH+](C)C ZINC000562997174 505014009 /nfs/dbraw/zinc/01/40/09/505014009.db2.gz WBVOZUCFRFHJTQ-ZDUSSCGKSA-N 2 0 370.335 3.344 20 0 FGADRP Cc1ccc(Cl)c(OC[C@@H](O)C[NH2+]CC(C)(C)C[NH+]2CCCC2)c1 ZINC000563003969 505016818 /nfs/dbraw/zinc/01/68/18/505016818.db2.gz ZAPRWCOXGUQGIG-INIZCTEOSA-N 2 0 354.922 3.100 20 0 FGADRP CC(C)[N@H+](C)Cc1cccc(CNC(=O)[C@@]2(c3ccccc3)CC[NH2+]C2)c1 ZINC000563198349 505072960 /nfs/dbraw/zinc/07/29/60/505072960.db2.gz SNCDGUUUUHEYOC-QHCPKHFHSA-N 2 0 365.521 3.074 20 0 FGADRP C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1ccccc1CC1CC[NH2+]CC1 ZINC000563199086 505074367 /nfs/dbraw/zinc/07/43/67/505074367.db2.gz RHZRFKBCLAKIBZ-ZWKOTPCHSA-N 2 0 357.542 3.079 20 0 FGADRP Cc1ccc(C[N@H+]2CC[C@H](CN(C)CC(=O)N(C(C)C)C(C)C)C2)s1 ZINC000563218987 505078715 /nfs/dbraw/zinc/07/87/15/505078715.db2.gz YJDFHYRQAXVHLG-GOSISDBHSA-N 2 0 365.587 3.456 20 0 FGADRP Cn1c2ccc(NC(=O)[C@@H]([NH3+])Cc3c[nH]c4ccccc34)cc2nc1C1CC1 ZINC000566101413 505080865 /nfs/dbraw/zinc/08/08/65/505080865.db2.gz NRBHHGZMNJRACT-KRWDZBQOSA-N 2 0 373.460 3.441 20 0 FGADRP CC[N@H+](C)Cc1cccc(C[NH2+]C[C@H](O)COc2cccc3[nH]ccc32)c1 ZINC000566109018 505083912 /nfs/dbraw/zinc/08/39/12/505083912.db2.gz JWMLNTRRFSVLQH-IBGZPJMESA-N 2 0 367.493 3.149 20 0 FGADRP Cc1ncn(-c2ccc(NC(=O)[C@H]3COCCN3C3CCCC3)cc2)c1C ZINC000563330851 505110493 /nfs/dbraw/zinc/11/04/93/505110493.db2.gz SMOFZEFKHSRPET-HXUWFJFHSA-N 2 0 368.481 3.071 20 0 FGADRP Cc1ccc(-c2cc(C[NH+]3CCC([C@@H]4OCCC[C@H]4[NH3+])CC3)on2)cc1 ZINC000557338848 505110882 /nfs/dbraw/zinc/11/08/82/505110882.db2.gz GBXFSFYQBPJCEW-CTNGQTDRSA-N 2 0 355.482 3.368 20 0 FGADRP NC(=O)C1CCC([NH2+][C@@H]2CCCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000560521588 505112810 /nfs/dbraw/zinc/11/28/10/505112810.db2.gz VZKCIKQXCAQOAT-RYTOZCKSSA-N 2 0 369.553 3.311 20 0 FGADRP CCc1ccccc1[C@@H]([NH3+])CNC(=O)[C@@H]1C[NH2+]C[C@H]1c1ccc(Cl)cc1 ZINC000563350672 505117181 /nfs/dbraw/zinc/11/71/81/505117181.db2.gz PJKURYLDIHJTJR-ZCNNSNEGSA-N 2 0 371.912 3.022 20 0 FGADRP CC(C)(C)[C@H](NC(=O)C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1)c1cccs1 ZINC000566245234 505121662 /nfs/dbraw/zinc/12/16/62/505121662.db2.gz MUKZUZBULPJOEF-TXPKVOOTSA-N 2 0 363.571 3.273 20 0 FGADRP CC1CC[NH+](CCc2cccc(NC(=O)N[C@H]3CC[NH2+]CC3(C)C)c2)CC1 ZINC000563478638 505150669 /nfs/dbraw/zinc/15/06/69/505150669.db2.gz GLLRRFGTGFOHKV-FQEVSTJZSA-N 2 0 372.557 3.471 20 0 FGADRP CC(C)[NH+]1CCC(NC(=O)CN2[C@H](C)Cc3cc(F)ccc3[C@@H]2C)CC1 ZINC000560638089 505150671 /nfs/dbraw/zinc/15/06/71/505150671.db2.gz ICGCAPGBMPAQDI-CVEARBPZSA-N 2 0 361.505 3.122 20 0 FGADRP COc1cc(NC(C)=O)ccc1[C@@H](C)[NH2+]CC1(SC)CC[NH+](C)CC1 ZINC000557540427 505162077 /nfs/dbraw/zinc/16/20/77/505162077.db2.gz XSUXDQJVJWROFP-CQSZACIVSA-N 2 0 365.543 3.132 20 0 FGADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)C1 ZINC000566481312 505187184 /nfs/dbraw/zinc/18/71/84/505187184.db2.gz GYGVOVZRJBKFBR-IXDOHACOSA-N 2 0 369.431 3.056 20 0 FGADRP [NH3+][C@@H]1CCO[C@H](C2CC[NH+](Cc3c[nH]nc3-c3ccc(Cl)cc3)CC2)C1 ZINC000563607651 505191653 /nfs/dbraw/zinc/19/16/53/505191653.db2.gz CABFWGIYCKSAIT-MOPGFXCFSA-N 2 0 374.916 3.448 20 0 FGADRP O=C(Nc1ccccc1)N1CC[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)C1 ZINC000563804542 505243517 /nfs/dbraw/zinc/24/35/17/505243517.db2.gz YSNBVKZYIRVQGK-MTQWCTHYSA-N 2 0 356.514 3.193 20 0 FGADRP COc1ncc([C@@H](C)[NH2+]CCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1Cl ZINC000551529067 505245280 /nfs/dbraw/zinc/24/52/80/505245280.db2.gz AOQQDHOEPMTZNX-QLFBSQMISA-N 2 0 355.910 3.284 20 0 FGADRP C[C@@H]1C[NH+](CCC2CC[NH+](Cc3cnc(C(C)(C)C)nc3)CC2)C[C@@H](C)O1 ZINC000551552383 505251015 /nfs/dbraw/zinc/25/10/15/505251015.db2.gz MXYTUUGRPVEWKO-QZTJIDSGSA-N 2 0 374.573 3.485 20 0 FGADRP [NH3+]C[C@H](Cc1ccccc1)[C@@H]1CCCCN1C(=O)C[C@@H]1CCCC[C@@H]1[NH3+] ZINC000566727803 505256857 /nfs/dbraw/zinc/25/68/57/505256857.db2.gz GAPPPQHXRSKVJN-TUFLPTIASA-N 2 0 357.542 3.093 20 0 FGADRP C[N@H+](Cc1ccccc1CNC(=O)N1CCC[C@@H](C[NH3+])C1)C1CCCCC1 ZINC000561137460 505259879 /nfs/dbraw/zinc/25/98/79/505259879.db2.gz IHEDMCCJKASCCY-SFHVURJKSA-N 2 0 372.557 3.331 20 0 FGADRP C[C@@H]([NH3+])[C@H]1CCCN(C(=O)NCc2ccccc2C[NH+]2CCCCCC2)C1 ZINC000561196949 505278013 /nfs/dbraw/zinc/27/80/13/505278013.db2.gz KENJAMGWYPNREL-QUCCMNQESA-N 2 0 372.557 3.331 20 0 FGADRP C[C@H]1C[N@H+](C)CC[C@@H]1Nc1ccc(NC(=O)C[NH+]2CCCCCC2)cc1 ZINC000558043330 505294743 /nfs/dbraw/zinc/29/47/43/505294743.db2.gz XHIFKUORDGCKBS-PXNSSMCTSA-N 2 0 358.530 3.253 20 0 FGADRP CC[NH+]1CCN(Cc2ccc(NC(=O)c3ccc([C@H](C)[NH3+])cc3)cc2)CC1 ZINC000564080295 505320024 /nfs/dbraw/zinc/32/00/24/505320024.db2.gz CFGAAOFGZIRWRW-KRWDZBQOSA-N 2 0 366.509 3.096 20 0 FGADRP Cc1ccccc1[C@H]([NH3+])C(=O)Nc1cccc(N2CC[NH+](C(C)C)CC2)c1 ZINC000564081254 505321062 /nfs/dbraw/zinc/32/10/62/505321062.db2.gz NHHSNBTYIFJCEM-NRFANRHFSA-N 2 0 366.509 3.164 20 0 FGADRP CC[C@@H]([NH2+]Cc1cncc(C[NH2+][C@@H](CC)[C@@H]2CCCO2)c1)[C@H]1CCCO1 ZINC000564168747 505343709 /nfs/dbraw/zinc/34/37/09/505343709.db2.gz QVXHLEVGJADCFH-FXELSEDVSA-N 2 0 361.530 3.176 20 0 FGADRP C[NH+](C)CCc1ccc(C(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)cc1 ZINC000567058944 505351997 /nfs/dbraw/zinc/35/19/97/505351997.db2.gz JNNRMMUCIDMYKU-JOCHJYFZSA-N 2 0 365.521 3.358 20 0 FGADRP CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C[NH+]1CCC(CC[NH3+])CC1 ZINC000564218394 505355992 /nfs/dbraw/zinc/35/59/92/505355992.db2.gz VPUCEANOOBMWTO-UHFFFAOYSA-N 2 0 358.313 3.013 20 0 FGADRP Cc1ccccc1[C@H]([C@@H](C)NC(=O)NC1CC[NH+](C(C)C)CC1)[NH+](C)C ZINC000558380526 505371805 /nfs/dbraw/zinc/37/18/05/505371805.db2.gz JMOGXEIMGMYWBB-XLIONFOSSA-N 2 0 360.546 3.158 20 0 FGADRP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)CCO[C@H]3CCCCO3)C2)s1 ZINC000564294118 505374712 /nfs/dbraw/zinc/37/47/12/505374712.db2.gz WMQOGSIDKWGYOH-HKUYNNGSSA-N 2 0 352.544 3.353 20 0 FGADRP COC(=O)c1cc(C[NH2+]Cc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)cn1C ZINC000564298700 505376235 /nfs/dbraw/zinc/37/62/35/505376235.db2.gz NBKGLWKKKBVZFP-KRWDZBQOSA-N 2 0 369.509 3.476 20 0 FGADRP CO[C@]1(C[NH2+][C@@H]2CCCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CCOC1 ZINC000552065483 505387957 /nfs/dbraw/zinc/38/79/57/505387957.db2.gz BKUQJLUPQXRJPI-CBPXPLCBSA-N 2 0 358.526 3.072 20 0 FGADRP CCc1ncc(C[N@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)s1 ZINC000552080281 505393629 /nfs/dbraw/zinc/39/36/29/505393629.db2.gz ZKJUWFTWQBMOKU-UHFFFAOYSA-N 2 0 364.603 3.334 20 0 FGADRP Cc1cccc2ncc(C[NH+]3CCC(CC[NH+]4C[C@@H](C)O[C@H](C)C4)CC3)n21 ZINC000552091503 505396353 /nfs/dbraw/zinc/39/63/53/505396353.db2.gz PAYWVPUXOIUTMR-RTBURBONSA-N 2 0 370.541 3.354 20 0 FGADRP COc1ccc(CC[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)c(Cl)c1OC ZINC000567223692 505399711 /nfs/dbraw/zinc/39/97/11/505399711.db2.gz UVBSTLFQXXJXTB-ARFHVFGLSA-N 2 0 352.906 3.362 20 0 FGADRP CC(C)[N@H+](C)CC1CCN(C(=O)N[C@H](CCC[NH3+])c2ccccc2)CC1 ZINC000567223067 505399818 /nfs/dbraw/zinc/39/98/18/505399818.db2.gz XWUYOCUTCYYUPZ-HXUWFJFHSA-N 2 0 360.546 3.228 20 0 FGADRP CN1CCN(C(=O)Nc2cccc(-c3cccc(Cl)c3)c2)[C@H](C[NH3+])C1 ZINC000567243791 505405602 /nfs/dbraw/zinc/40/56/02/505405602.db2.gz NLLHTEAKFROVAD-GOSISDBHSA-N 2 0 358.873 3.114 20 0 FGADRP CSc1ccc([C@H](CNC(=O)[C@@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)[NH+](C)C)cc1 ZINC000561727354 505419349 /nfs/dbraw/zinc/41/93/49/505419349.db2.gz UAJZVTFPBIPKFU-OLMMMNRUSA-N 2 0 363.571 3.389 20 0 FGADRP C/C(=C/c1ccccc1OC(F)F)C[NH2+][C@@H](C)CCN1CC[NH+](C)CC1 ZINC000567315283 505425083 /nfs/dbraw/zinc/42/50/83/505425083.db2.gz KWVTZNYSTLGIFV-WAIALKQBSA-N 2 0 367.484 3.307 20 0 FGADRP C[C@H](CCc1ccc(F)cc1F)[NH2+]C1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000552276675 505448655 /nfs/dbraw/zinc/44/86/55/505448655.db2.gz GWKMFYFVLMBZNF-VOBQZIQPSA-N 2 0 352.469 3.253 20 0 FGADRP C[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]CCn2cc(Br)cn2)CC1 ZINC000552335524 505464322 /nfs/dbraw/zinc/46/43/22/505464322.db2.gz VIXKPNXHVWXRAI-YOEHRIQHSA-N 2 0 369.351 3.278 20 0 FGADRP CC[C@@H](NC(=O)CN1CC[C@@]2(C1)CCC[N@H+](C)C2)c1ccc(Cl)cc1 ZINC000555598501 505468897 /nfs/dbraw/zinc/46/88/97/505468897.db2.gz WCSDLSASDVHYAX-QUCCMNQESA-N 2 0 363.933 3.325 20 0 FGADRP CCC[NH+]1CCN(c2ccccc2CN2CC[C@@]3(C2)CCC[N@H+](C)C3)CC1 ZINC000552356259 505471036 /nfs/dbraw/zinc/47/10/36/505471036.db2.gz KHVHWSVIDQTZNK-QHCPKHFHSA-N 2 0 370.585 3.136 20 0 FGADRP C[NH+](C)CCCCC(=O)N[C@@H](C[N@@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000552369726 505475234 /nfs/dbraw/zinc/47/52/34/505475234.db2.gz BXGDKZQZVKZUAD-FQEVSTJZSA-N 2 0 359.558 3.308 20 0 FGADRP Cc1nc(-c2ccc(CC[NH2+][C@@H]3CCOC[C@@H]3[C@@H](C)[NH3+])s2)cs1 ZINC000564791831 505520916 /nfs/dbraw/zinc/52/09/16/505520916.db2.gz OCMAZKADUWPLKC-KCPJHIHWSA-N 2 0 351.541 3.064 20 0 FGADRP C[C@H]1C[N@H+](CCc2ccc(C(C)(C)C)cc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000564789358 505521054 /nfs/dbraw/zinc/52/10/54/505521054.db2.gz ABJYMYCBVGXUHW-UGKGYDQZSA-N 2 0 357.586 3.484 20 0 FGADRP Cc1cc(C(C)(C)C)ccc1OC[C@@H](O)C[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000564793381 505521781 /nfs/dbraw/zinc/52/17/81/505521781.db2.gz GEIRESNIVJEHBA-XLIONFOSSA-N 2 0 360.542 3.106 20 0 FGADRP FC(F)(F)COc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)cn1 ZINC000567641323 505522091 /nfs/dbraw/zinc/52/20/91/505522091.db2.gz VOJJRWWQXCLGJU-ARFHVFGLSA-N 2 0 357.420 3.423 20 0 FGADRP COc1cccc(CC[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c1OC ZINC000567641632 505522209 /nfs/dbraw/zinc/52/22/09/505522209.db2.gz YWUKOXMZDIPVOM-AVRDEDQJSA-N 2 0 368.477 3.092 20 0 FGADRP C[C@@H]([NH2+][C@@H](C)c1ccc(S(=O)(=O)C2CCCC2)cc1)[C@@H]1CCC[NH2+]C1 ZINC000564822678 505529570 /nfs/dbraw/zinc/52/95/70/505529570.db2.gz QFGNHBBRYVWBPN-LZLYRXPVSA-N 2 0 364.555 3.442 20 0 FGADRP O[C@@H](C[NH2+]Cc1ccccc1C[NH+]1CCCC1)COc1ccc(Cl)cc1 ZINC000567680075 505533924 /nfs/dbraw/zinc/53/39/24/505533924.db2.gz OQEVWDSCFIFEKI-FQEVSTJZSA-N 2 0 374.912 3.465 20 0 FGADRP C[NH+](C)C1CCC([NH2+]C[C@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000567692691 505538526 /nfs/dbraw/zinc/53/85/26/505538526.db2.gz AIZNGQVFRSVUBB-RUXDESIVSA-N 2 0 361.313 3.196 20 0 FGADRP [NH3+][C@@H]1CCCC[C@H]1CC(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000564931343 505560733 /nfs/dbraw/zinc/56/07/33/505560733.db2.gz GOLIQQQOTGJWMN-LEWJYISDSA-N 2 0 369.553 3.409 20 0 FGADRP C[C@@H](C[NH+]1CCC[C@@H]1[C@@H]1CCCOC1)C[N@@H+]1CCC[C@H]1[C@H]1CCCOC1 ZINC000567790155 505563115 /nfs/dbraw/zinc/56/31/15/505563115.db2.gz QEEZJJOTWQOQGK-YUBLJMCLSA-N 2 0 364.574 3.405 20 0 FGADRP COC(=O)c1cc2c(o1)c(OC)ccc2C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000564973357 505564665 /nfs/dbraw/zinc/56/46/65/505564665.db2.gz BPVLAONPIJOLPP-OAHLLOKOSA-N 2 0 372.465 3.050 20 0 FGADRP C[C@H](CC(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000582727860 506386315 /nfs/dbraw/zinc/38/63/15/506386315.db2.gz QGMKSKJEPXXQIC-UYAOXDASSA-N 2 0 372.557 3.172 20 0 FGADRP COC(=O)c1cc(C[NH2+]Cc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)cn1C ZINC000589168605 506467193 /nfs/dbraw/zinc/46/71/93/506467193.db2.gz GAXRFSXODPYZET-QGZVFWFLSA-N 2 0 369.509 3.333 20 0 FGADRP CCOC(=O)C1([C@@H](C)[NH2+][C@@H](CC)Cc2ccc(F)cc2)CC[NH2+]CC1 ZINC000596650233 506509829 /nfs/dbraw/zinc/50/98/29/506509829.db2.gz KBAXBOHDJJOBFC-QAPCUYQASA-N 2 0 350.478 3.058 20 0 FGADRP C[C@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000582965065 506513840 /nfs/dbraw/zinc/51/38/40/506513840.db2.gz ZEFLWJKETKDWMR-LLGFUMIMSA-N 2 0 365.477 3.490 20 0 FGADRP C[C@H](CNC(=O)[C@H]1CCC[N@@H+]1Cc1ccccc1)[NH+](C)Cc1ccccc1 ZINC000599630951 506540741 /nfs/dbraw/zinc/54/07/41/506540741.db2.gz LEUZGKVCZBGPEB-DENIHFKCSA-N 2 0 365.521 3.288 20 0 FGADRP O=C(Nc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)cc1)c1cccnc1 ZINC000583018697 506544141 /nfs/dbraw/zinc/54/41/41/506544141.db2.gz CXAPLOFXSSFLNE-PWRODBHTSA-N 2 0 364.493 3.344 20 0 FGADRP CCC[NH+]1CCC(NC(=O)NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000593353287 506566650 /nfs/dbraw/zinc/56/66/50/506566650.db2.gz STKDGGOGQFBDIP-HXUWFJFHSA-N 2 0 372.557 3.072 20 0 FGADRP C[C@@H]([NH2+]C1(CNC(=O)N[C@H]2CCC[N@H+](C)C2)CCCC1)c1ccccc1 ZINC000603593727 506569204 /nfs/dbraw/zinc/56/92/04/506569204.db2.gz XQNYUYYADBNWNN-MJGOQNOKSA-N 2 0 358.530 3.043 20 0 FGADRP CCOC(=O)C(C)(C)CCC[C@H](C)[NH2+]C1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000593604423 506700020 /nfs/dbraw/zinc/70/00/20/506700020.db2.gz KJESXOOEXURRIO-WDSOQIARSA-N 2 0 368.562 3.102 20 0 FGADRP CC[N@H+](C)[C@@H](C(=O)NCCC[NH+]1CCc2ccccc2C1)c1ccccc1 ZINC000589994525 506700143 /nfs/dbraw/zinc/70/01/43/506700143.db2.gz JEUJSQPDCMWNJI-JOCHJYFZSA-N 2 0 365.521 3.244 20 0 FGADRP C[C@@H]1CCC[N@H+](CCNC(=O)N[C@H](C[NH+]2CCCCC2)c2ccccc2)C1 ZINC000604171438 506734926 /nfs/dbraw/zinc/73/49/26/506734926.db2.gz KWQFAVUUQZGZJW-TZIWHRDSSA-N 2 0 372.557 3.245 20 0 FGADRP CC(C)[N@@H+]1CC[C@H](CNC(=O)N[C@H](C[NH+]2CCCCC2)c2ccccc2)C1 ZINC000604184570 506740712 /nfs/dbraw/zinc/74/07/12/506740712.db2.gz XSBVKBVDOZYUBN-TZIWHRDSSA-N 2 0 372.557 3.243 20 0 FGADRP C[NH+](C)CC1CC[NH+](Cc2csc(-c3ccc4c(c3)OCO4)n2)CC1 ZINC000590125160 506744255 /nfs/dbraw/zinc/74/42/55/506744255.db2.gz JVGWMUQDLNDLDL-UHFFFAOYSA-N 2 0 359.495 3.312 20 0 FGADRP C[C@H](C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000600014388 506746823 /nfs/dbraw/zinc/74/68/23/506746823.db2.gz UDWAXSXZZMXSTE-COPCDDAFSA-N 2 0 369.553 3.073 20 0 FGADRP CC(C)[NH2+][C@H]1CCCN(C(=O)N[C@@H](C[NH+]2CCCCC2)c2ccccc2)C1 ZINC000604203716 506750588 /nfs/dbraw/zinc/75/05/88/506750588.db2.gz BQWBGQOHJRBOKA-SFTDATJTSA-N 2 0 372.557 3.386 20 0 FGADRP CCC(CC)[C@@H](CNC(=O)N1CCC[N@@H+](C(C)C)CC1)[NH+]1CCCC1 ZINC000590154376 506751015 /nfs/dbraw/zinc/75/10/15/506751015.db2.gz FDIBJEKKMVHWME-LJQANCHMSA-N 2 0 352.567 3.013 20 0 FGADRP CN1CCC([N@@H+]2CC[C@@H](NC(=O)Nc3cc(Cl)cc(Cl)c3)C2)CC1 ZINC000604208156 506751856 /nfs/dbraw/zinc/75/18/56/506751856.db2.gz HJDLLSXDCDDOGL-CQSZACIVSA-N 2 0 371.312 3.283 20 0 FGADRP CCN1CCC([NH+]2CCC(C(=O)NC(C3CCC3)C3CCC3)CC2)CC1 ZINC000583390187 506753223 /nfs/dbraw/zinc/75/32/23/506753223.db2.gz HYSNMFIQGVYRHW-UHFFFAOYSA-N 2 0 361.574 3.268 20 0 FGADRP c1coc(COCc2cccc(C[NH2+][C@@H]3CCOC[C@H]3[C@H]3CCC[NH2+]3)c2)c1 ZINC000583434797 506776742 /nfs/dbraw/zinc/77/67/42/506776742.db2.gz BCAYEWSBBSWMDF-BHDDXSALSA-N 2 0 370.493 3.243 20 0 FGADRP Cc1cc(F)ccc1-c1ccc(C[NH2+]C[C@H](C)CN2CC[NH+](C)CC2)o1 ZINC000604416145 506826468 /nfs/dbraw/zinc/82/64/68/506826468.db2.gz IKOCXKPEDYMURP-INIZCTEOSA-N 2 0 359.489 3.367 20 0 FGADRP CCC[N@H+](CC)C[C@H](C)NC(=O)N[C@H]1CC[NH+](Cc2ccccc2)C[C@@H]1C ZINC000583597300 506867574 /nfs/dbraw/zinc/86/75/74/506867574.db2.gz CZAZMNLXPKUFPG-ZJOUEHCJSA-N 2 0 374.573 3.317 20 0 FGADRP CC1CCC([NH+]2CCN(C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)CC2)CC1 ZINC000604786510 506943020 /nfs/dbraw/zinc/94/30/20/506943020.db2.gz KZRYCMOKZLUFSM-ACBHZAAOSA-N 2 0 366.594 3.259 20 0 FGADRP C[C@@H](CNC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)[N@H+](C)Cc1ccccc1 ZINC000604784935 506943284 /nfs/dbraw/zinc/94/32/84/506943284.db2.gz HTRIHBKJLMCYFF-HKUYNNGSSA-N 2 0 362.562 3.173 20 0 FGADRP C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1ccccc1CC1CC[NH2+]CC1 ZINC000583755120 506955042 /nfs/dbraw/zinc/95/50/42/506955042.db2.gz FCJJUTVNORTAQE-SFHVURJKSA-N 2 0 357.542 3.223 20 0 FGADRP CC(C)[N@H+](C)CC1CC[NH+]([C@@H](C)C(=O)NC[C@H](C)c2ccccc2)CC1 ZINC000590786515 506956289 /nfs/dbraw/zinc/95/62/89/506956289.db2.gz FMRODTYNCWIIPJ-OALUTQOASA-N 2 0 359.558 3.347 20 0 FGADRP C[C@@H](CC[NH2+]CC1(O)CCC(C(=O)OC(C)(C)C)CC1)[NH+]1CCCCC1 ZINC000600738369 507092088 /nfs/dbraw/zinc/09/20/88/507092088.db2.gz ZLAZMONNJCXZQQ-XPQZIERPSA-N 2 0 368.562 3.104 20 0 FGADRP COc1cccc(OC)c1OCCCC[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000584017476 507104431 /nfs/dbraw/zinc/10/44/31/507104431.db2.gz ULZFDEPINGJVQT-SFHVURJKSA-N 2 0 362.514 3.281 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)[C@H]1CCCC[N@@H+]1CC)c1cccc(OC)c1 ZINC000591095398 507112475 /nfs/dbraw/zinc/11/24/75/507112475.db2.gz KCTYJTVZNQMCIY-WOJBJXKFSA-N 2 0 361.530 3.069 20 0 FGADRP CCCC[N@H+](C)CC1CC[NH+](C[C@H](O)COc2cc(C)cc(C)c2)CC1 ZINC000613491387 507117409 /nfs/dbraw/zinc/11/74/09/507117409.db2.gz PLWVZYREPWRNDM-NRFANRHFSA-N 2 0 362.558 3.487 20 0 FGADRP CC(C)[NH+]1CCN([C@H]2CC[N@@H+]([C@@H](C)c3ccc(OC(F)F)cc3)C2)CC1 ZINC000610250524 507162132 /nfs/dbraw/zinc/16/21/32/507162132.db2.gz ZDCIBPHLPZKNKN-WMZOPIPTSA-N 2 0 367.484 3.449 20 0 FGADRP COc1ccccc1[C@H](CNC(=O)[C@@H](C)[NH+]1CCCCCC1)[NH+]1CCCC1 ZINC000605398940 507174718 /nfs/dbraw/zinc/17/47/18/507174718.db2.gz TZPCGNBMTIAQCG-QUCCMNQESA-N 2 0 373.541 3.213 20 0 FGADRP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000605403249 507177490 /nfs/dbraw/zinc/17/74/90/507177490.db2.gz BZOUCFQSEMZVNW-KSZLIROESA-N 2 0 366.509 3.343 20 0 FGADRP C[C@H](CC[S@](C)=O)[NH2+][C@@H]1CCCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000584188199 507201125 /nfs/dbraw/zinc/20/11/25/507201125.db2.gz SKUJOICQCSJSII-BUMZBHGASA-N 2 0 362.583 3.424 20 0 FGADRP COC(=O)COc1c(C)cc(C[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)cc1C ZINC000594734823 507259687 /nfs/dbraw/zinc/25/96/87/507259687.db2.gz FSVSEEZMNLNTSO-FQEVSTJZSA-N 2 0 374.525 3.067 20 0 FGADRP C[C@@H]([NH3+])c1ccc(C(=O)N(C)CCC2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000584353781 507298992 /nfs/dbraw/zinc/29/89/92/507298992.db2.gz PBINMIADUJILEY-QGZVFWFLSA-N 2 0 366.509 3.480 20 0 FGADRP C[C@@H]([NH2+][C@H]1CC12CC[NH2+]CC2)c1ccc(F)c(I)c1 ZINC000591579953 507301596 /nfs/dbraw/zinc/30/15/96/507301596.db2.gz AXRDUHPZAWQCCI-YGRLFVJLSA-N 2 0 374.241 3.223 20 0 FGADRP C/C(=C/c1ccccc1)C[NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000591697776 507334653 /nfs/dbraw/zinc/33/46/53/507334653.db2.gz ICNIRNLELGGULY-ZZEZOPTASA-N 2 0 365.525 3.072 20 0 FGADRP CC1CC[NH+](CCc2cccc(NC(=O)N[C@@H]3C[NH2+]CC[C@@H]3C)c2)CC1 ZINC000584457933 507356203 /nfs/dbraw/zinc/35/62/03/507356203.db2.gz XGFBNONXEWBPII-FXAWDEMLSA-N 2 0 358.530 3.081 20 0 FGADRP CC[N@@H+]1CC[C@@H]([NH2+]CCc2ccc(I)cc2)[C@@H](C)C1 ZINC000595095626 507389473 /nfs/dbraw/zinc/38/94/73/507389473.db2.gz RTPXMXSJFHAOLX-XJKSGUPXSA-N 2 0 372.294 3.154 20 0 FGADRP C[C@@H](C(=O)Nc1cccc(CN2C[C@@H](C)O[C@@H](C)C2)c1)[NH+]1[C@H](C)CC[C@H]1C ZINC000606534262 507436216 /nfs/dbraw/zinc/43/62/16/507436216.db2.gz DHBAMBPKGHRPDJ-QQXKLLMISA-N 2 0 373.541 3.496 20 0 FGADRP C[C@H](NC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1)C1CC[NH+](C)CC1 ZINC000606627264 507457472 /nfs/dbraw/zinc/45/74/72/507457472.db2.gz DUGQUGQYDOYVEN-SFHVURJKSA-N 2 0 372.557 3.202 20 0 FGADRP Cc1ccc([C@@H](CNC(=O)N2CC[N@@H+](C)C[C@H]2C(C)C)[NH+]2CCCC2)cc1 ZINC000606662076 507473706 /nfs/dbraw/zinc/47/37/06/507473706.db2.gz MAZQZGAFDJGXMT-RTWAWAEBSA-N 2 0 372.557 3.114 20 0 FGADRP CC[NH+](CC)CCN(Cc1ccccc1)C(=O)N[C@@H](C)C1CC[NH+](C)CC1 ZINC000606700345 507487190 /nfs/dbraw/zinc/48/71/90/507487190.db2.gz IJIBLRFBNXQAJL-IBGZPJMESA-N 2 0 374.573 3.270 20 0 FGADRP C[C@H](NC(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1)C1CC[NH+](C)CC1 ZINC000606703612 507488382 /nfs/dbraw/zinc/48/83/82/507488382.db2.gz YBKAJQJVAHYSSQ-FHWLQOOXSA-N 2 0 364.578 3.013 20 0 FGADRP COC(=O)c1ccc(C[NH2+]Cc2ccccc2C[NH+]2CCCCC2)n1C ZINC000601998709 507547246 /nfs/dbraw/zinc/54/72/46/507547246.db2.gz PIPUSDPEPUEZOG-UHFFFAOYSA-N 2 0 355.482 3.087 20 0 FGADRP CC[C@@H](Cc1ccccc1)C(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@@H+]1CC ZINC000602127396 507601215 /nfs/dbraw/zinc/60/12/15/507601215.db2.gz NBAKWDGGDUOPJC-SFTDATJTSA-N 2 0 359.558 3.130 20 0 FGADRP C[C@H]1CN(Cc2ccccn2)CC[C@H]1[NH2+][C@@H]1CC[C@H](C(=O)OC(C)(C)C)C1 ZINC000592404787 507643429 /nfs/dbraw/zinc/64/34/29/507643429.db2.gz WNWJYNFLFGCTMT-PNYFIKQUSA-N 2 0 373.541 3.392 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)NCC[NH+](C)C1CCCC1 ZINC000607180525 507646494 /nfs/dbraw/zinc/64/64/94/507646494.db2.gz ZFBYBCTUAUCDBG-LJQANCHMSA-N 2 0 372.557 3.167 20 0 FGADRP C[NH+]1CCC(N2CC[C@H]([NH2+]Cc3ccc(-c4ccc(F)cc4)o3)C2)CC1 ZINC000602277257 507653022 /nfs/dbraw/zinc/65/30/22/507653022.db2.gz HTFBYWVRKRASHG-SFHVURJKSA-N 2 0 357.473 3.344 20 0 FGADRP C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)[C@@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000614836530 507669835 /nfs/dbraw/zinc/66/98/35/507669835.db2.gz VQHSGBKTGYVAST-CEMLEFRQSA-N 2 0 369.553 3.026 20 0 FGADRP c1ccc(-c2nccc(NCCC[NH+]3CCN(c4cc[nH+]cc4)CC3)n2)cc1 ZINC000511446972 515909794 /nfs/dbraw/zinc/90/97/94/515909794.db2.gz QSKUBQXFNCDOHO-UHFFFAOYSA-N 2 0 374.492 3.163 20 0 FGADRP Cc1cc(NC(=O)CC[NH2+]Cc2ccccc2C[N@H+]2CCCC[C@@H]2C)no1 ZINC000515346980 517311001 /nfs/dbraw/zinc/31/10/01/517311001.db2.gz KHJVDPOBUPSKPZ-INIZCTEOSA-N 2 0 370.497 3.476 20 0 FGADRP c1ccc2nc(NCC[NH2+][C@@H]3C[C@@]4(CC[NH2+]C4)Oc4ccccc43)ccc2c1 ZINC000521225891 517657216 /nfs/dbraw/zinc/65/72/16/517657216.db2.gz HMEMNGQTCXHWIK-NFBKMPQASA-N 2 0 374.488 3.492 20 0 FGADRP CC[C@@H]1CN(C(=O)NCc2ccccc2C[N@@H+]2CCCC[C@@H]2C)CC[C@H]1[NH3+] ZINC000669117819 568035395 /nfs/dbraw/zinc/03/53/95/568035395.db2.gz SSFUNVVIOOXMPZ-WAOWUJCRSA-N 2 0 372.557 3.330 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCC[NH+](CCc3ccccc3)C2)[C@@H](C)C1 ZINC000669123976 568082434 /nfs/dbraw/zinc/08/24/34/568082434.db2.gz LDCPSUMZFIXVCN-BVSLBCMMSA-N 2 0 371.569 3.130 20 0 FGADRP C[C@@H](c1ccc(-c2nn[nH]n2)cc1)[N@@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000736275189 599337454 /nfs/dbraw/zinc/33/74/54/599337454.db2.gz HYMAUJFMXRGQPV-ZWKOTPCHSA-N 2 0 368.529 3.372 20 0 FGADRP C[C@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)c1cccc(-c2nn[nH]n2)c1 ZINC000820410089 607083873 /nfs/dbraw/zinc/08/38/73/607083873.db2.gz CWJITSKOAKYMPV-HNNXBMFYSA-N 2 0 354.502 3.314 20 0 FGADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H]1CCCc2cc(-c3nn[nH]n3)ccc21 ZINC000825413061 608495030 /nfs/dbraw/zinc/49/50/30/608495030.db2.gz WZIWYLSVWSPLFF-KXBFYZLASA-N 2 0 356.518 3.344 20 0 FGADRP C[C@@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)c1ccc(Br)cc1 ZINC000021010996 695643006 /nfs/dbraw/zinc/64/30/06/695643006.db2.gz WQCGZJKFBXEDAK-CQSZACIVSA-N 2 0 354.336 3.126 20 0 FGADRP C[C@H]([NH2+][C@H](c1ccc(Cl)cc1)[C@@H]1CN(C)CCO1)C1CC[NH+](C)CC1 ZINC000090956734 700408438 /nfs/dbraw/zinc/40/84/38/700408438.db2.gz NZJXARYUTQEVRJ-RYGJVYDSSA-N 2 0 365.949 3.032 20 0 FGADRP CC(C)(C)OC(=O)NC1CCC([NH2+]C2CC[NH+](CC3CC3)CC2)CC1 ZINC000156597283 705123783 /nfs/dbraw/zinc/12/37/83/705123783.db2.gz MDCXQMMOVKFAIY-UHFFFAOYSA-N 2 0 351.535 3.286 20 0 FGADRP C[C@H]([NH2+]CCS(=O)(=O)c1ccc(C(C)(C)C)cc1)C1CC[NH+](C)CC1 ZINC000156644485 705125939 /nfs/dbraw/zinc/12/59/39/705125939.db2.gz HDMUVFRIZQFEKI-INIZCTEOSA-N 2 0 366.571 3.078 20 0 FGADRP COc1cc(Cl)c(C)cc1NC(=O)CC[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000158409247 705184820 /nfs/dbraw/zinc/18/48/20/705184820.db2.gz IFXJNPOFEHOWJV-CQSZACIVSA-N 2 0 367.921 3.306 20 0 FGADRP C[C@H]([NH2+]C1CCN(Cc2ccc(F)c(F)c2)CC1)C1CC[NH+](C)CC1 ZINC000166185649 705343154 /nfs/dbraw/zinc/34/31/54/705343154.db2.gz ZRSVPWQOPZAWRK-HNNXBMFYSA-N 2 0 351.485 3.249 20 0 FGADRP CC(C)(C)OC(=O)N1CC[C@H](C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)C1 ZINC000173879907 705474585 /nfs/dbraw/zinc/47/45/85/705474585.db2.gz PSIPWNTZXKJQTR-QZTJIDSGSA-N 2 0 351.535 3.051 20 0 FGADRP CCC[NH+]1CCC(C[NH2+][C@H]2CCC[C@@H]2CNC(=O)OC(C)(C)C)CC1 ZINC000180448369 705740348 /nfs/dbraw/zinc/74/03/48/705740348.db2.gz VVBRRGXCOHADOA-MSOLQXFVSA-N 2 0 353.551 3.391 20 0 FGADRP C[C@H](C[NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)CC1)C[NH+]1CCCCC1 ZINC000182723650 705858276 /nfs/dbraw/zinc/85/82/76/705858276.db2.gz DKWGYIAMXCFBKL-QZTJIDSGSA-N 2 0 353.551 3.488 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)[C@@H](C)[C@@H](C)[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000192103503 712850368 /nfs/dbraw/zinc/85/03/68/712850368.db2.gz BXQRBBOACUSFKN-WOSRLPQWSA-N 2 0 359.436 3.188 20 0 FGADRP CCCC[N@H+](C)CC1CCN(C(=O)NC2CC[NH+](C(C)C)CC2)CC1 ZINC000194263243 713516444 /nfs/dbraw/zinc/51/64/44/713516444.db2.gz BONSSBSTVLYQEN-UHFFFAOYSA-N 2 0 352.567 3.013 20 0 FGADRP CC(C)(C)OC(=O)N1CC[C@@H](C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)C1 ZINC000247548859 713642128 /nfs/dbraw/zinc/64/21/28/713642128.db2.gz PSIPWNTZXKJQTR-ROUUACIJSA-N 2 0 351.535 3.051 20 0 FGADRP CCC[N@H+](C)C[C@H]1CC[NH+](C[C@@]2(C)CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000248669252 713656126 /nfs/dbraw/zinc/65/61/26/713656126.db2.gz RGPBJNZLVJFRFH-YLJYHZDGSA-N 2 0 353.551 3.297 20 0 FGADRP Brc1cc2c(c(C[NH+]3CCC([C@H]4CCC[NH2+]4)CC3)c1)OCC2 ZINC000262135777 713719666 /nfs/dbraw/zinc/71/96/66/713719666.db2.gz LYFDZEFNAVXYTI-QGZVFWFLSA-N 2 0 365.315 3.348 20 0 FGADRP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]CCC(=O)N[C@@H](c1cccs1)c1ccccc1 ZINC000641805853 717930887 /nfs/dbraw/zinc/93/08/87/717930887.db2.gz OWSZCINGWVJHGX-ZIFCJYIRSA-N 2 0 357.523 3.059 20 0 FGADRP CC1CC[NH+](CCC[NH2+][C@@H]2CCC[C@H]2CNC(=O)OC(C)(C)C)CC1 ZINC000384457572 713982127 /nfs/dbraw/zinc/98/21/27/713982127.db2.gz ZINOEYSWLKWZAW-ZWKOTPCHSA-N 2 0 353.551 3.391 20 0 FGADRP CC(C)[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)[C@H]2CCCCN2C(=O)OC(C)(C)C)C1 ZINC000386561486 713985372 /nfs/dbraw/zinc/98/53/72/713985372.db2.gz JFBXWUNDEMNZHH-OKZBNKHCSA-N 2 0 353.551 3.484 20 0 FGADRP C[C@H]([NH2+]C[C@H](O)COc1ccc(Cl)c(Cl)c1)C1CC[NH+](C)CC1 ZINC000396472711 713991340 /nfs/dbraw/zinc/99/13/40/713991340.db2.gz YSFHARUMYMVKQS-JSGCOSHPSA-N 2 0 361.313 3.053 20 0 FGADRP Cc1nc([C@@H](C)[NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)c(C)s1 ZINC000397563898 713991619 /nfs/dbraw/zinc/99/16/19/713991619.db2.gz ZXIFGXJZYBYTPR-OAHLLOKOSA-N 2 0 359.539 3.438 20 0 FGADRP CCOCCOc1ccc(Br)cc1C[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000414922169 714005500 /nfs/dbraw/zinc/00/55/00/714005500.db2.gz GNLHCCUHHZTOCY-JKSUJKDBSA-N 2 0 371.319 3.224 20 0 FGADRP C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000414927970 714005729 /nfs/dbraw/zinc/00/57/29/714005729.db2.gz PQPOXGWTENHRRY-ZLDLUXBVSA-N 2 0 354.292 3.026 20 0 FGADRP C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000414926572 714005923 /nfs/dbraw/zinc/00/59/23/714005923.db2.gz NNQLHWUAIQETRH-OSAQELSMSA-N 2 0 354.292 3.026 20 0 FGADRP CC[NH+](CC)C[C@H](C)NC(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000502592725 714112628 /nfs/dbraw/zinc/11/26/28/714112628.db2.gz QTFWTXBTWWWXKD-VIQWUECVSA-N 2 0 352.567 3.059 20 0 FGADRP CC(C)[NH+](CCNC(=O)N(CC[NH+](C)C)CC1CCCCC1)C(C)C ZINC000523457482 714235678 /nfs/dbraw/zinc/23/56/78/714235678.db2.gz QTXABYBGAUMYED-UHFFFAOYSA-N 2 0 354.583 3.259 20 0 FGADRP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000523910247 714258325 /nfs/dbraw/zinc/25/83/25/714258325.db2.gz GKQDXGJBNNMIHC-ZWKOTPCHSA-N 2 0 354.583 3.307 20 0 FGADRP C(CC[NH+]1CCOCC12CCCC2)CC[N@@H+]1CCOCC12CCCC2 ZINC000535678634 714429987 /nfs/dbraw/zinc/42/99/87/714429987.db2.gz BFYZLFYVHNKMLS-UHFFFAOYSA-N 2 0 350.547 3.447 20 0 FGADRP [NH3+][C@@H]1CCCC[C@H]1NC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000566615086 714440592 /nfs/dbraw/zinc/44/05/92/714440592.db2.gz FZEDANGZNBLZNC-KURKYZTESA-N 2 0 364.921 3.046 20 0 FGADRP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2CCn1ccc2cc(Cl)ccc21 ZINC000577920116 714471109 /nfs/dbraw/zinc/47/11/09/714471109.db2.gz BMMLTEHRQNYOJX-YZGWKJHDSA-N 2 0 361.917 3.478 20 0 FGADRP COc1ccc(Cl)cc1NC(=O)CC[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000643064124 718003693 /nfs/dbraw/zinc/00/36/93/718003693.db2.gz MBGCEWUTYLAMJZ-PBHICJAKSA-N 2 0 365.905 3.141 20 0 FGADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]CCNc1ncc(C(F)(F)F)cc1Cl ZINC000643461105 718034997 /nfs/dbraw/zinc/03/49/97/718034997.db2.gz TXBRASQPJONGAZ-GXFFZTMASA-N 2 0 350.816 3.143 20 0 FGADRP C[C@H]([NH2+][C@H]1CCC[NH2+]CC1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000643521945 718037635 /nfs/dbraw/zinc/03/76/35/718037635.db2.gz FRVAXSGOVCUPIY-RDJZCZTQSA-N 2 0 350.528 3.196 20 0 FGADRP C[N@@H+]1CC[C@H]([NH2+]CCC(=O)Nc2ccc(Br)cc2)CC1(C)C ZINC000623392698 715325662 /nfs/dbraw/zinc/32/56/62/715325662.db2.gz NAWCVZFWFIMTIL-HNNXBMFYSA-N 2 0 368.319 3.240 20 0 FGADRP COc1ccc(Cl)cc1N1CC[C@H]([NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)C1 ZINC000623396342 715326686 /nfs/dbraw/zinc/32/66/86/715326686.db2.gz PCZRERHOGGFLFH-HOTGVXAUSA-N 2 0 351.922 3.390 20 0 FGADRP C[NH+](C)[C@H](CNC(=O)NC[C@@H]1CC[N@@H+]1C1CCCCC1)c1ccsc1 ZINC000623409333 715329609 /nfs/dbraw/zinc/32/96/09/715329609.db2.gz ZDKAMYZSCABXFZ-ZWKOTPCHSA-N 2 0 364.559 3.057 20 0 FGADRP C[N@@H+]1CC[C@@H](N[C@H](CCO)c2ccccc2Br)CC1(C)C ZINC000623488155 715346217 /nfs/dbraw/zinc/34/62/17/715346217.db2.gz JVGHGRZQOZDABX-CZUORRHYSA-N 2 0 355.320 3.335 20 0 FGADRP C[N@@H+]1CC[C@H]([NH2+]C[C@@H](CO)Cc2ccc(Br)cc2)CC1(C)C ZINC000623507697 715350341 /nfs/dbraw/zinc/35/03/41/715350341.db2.gz WNQIANSFEADJIK-RDJZCZTQSA-N 2 0 369.347 3.063 20 0 FGADRP Cc1ccc(Br)cc1[C@H](C)[NH2+]CCCC[NH+]1CCN(C)CC1 ZINC000623862112 715417292 /nfs/dbraw/zinc/41/72/92/715417292.db2.gz MEKGOAQTYJUDFB-INIZCTEOSA-N 2 0 368.363 3.436 20 0 FGADRP Cc1ccc(Br)cc1[C@H](C)[NH2+]C[C@H](C)N1CC[NH+](C)CC1 ZINC000623888651 715424729 /nfs/dbraw/zinc/42/47/29/715424729.db2.gz OUHODHURRUFZFH-GJZGRUSLSA-N 2 0 354.336 3.044 20 0 FGADRP O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@@H]1CCCN1Cc1ccc(Cl)cc1 ZINC000624255876 715500364 /nfs/dbraw/zinc/50/03/64/715500364.db2.gz WNLBGFKUWDSSGZ-QRVBRYPASA-N 2 0 361.917 3.047 20 0 FGADRP CN(CCCC[NH+](C)C)C(=O)[C@@H]1CCCN1Cc1ccc(Cl)cc1 ZINC000625729545 715780931 /nfs/dbraw/zinc/78/09/31/715780931.db2.gz WBURWEBCMVAMCO-SFHVURJKSA-N 2 0 351.922 3.105 20 0 FGADRP C[C@@H]1C[C@H](NC(=O)N[C@@H](C[NH+](C)C)c2ccc(Cl)c(Cl)c2)CC[NH2+]1 ZINC000627089854 715995291 /nfs/dbraw/zinc/99/52/91/715995291.db2.gz PUSIYYFCQUVKRB-KFNAQCHYSA-N 2 0 373.328 3.036 20 0 FGADRP C[NH+](C)C[C@H](NC(=O)N[C@H]1CC[C@@H](C[NH3+])C1)c1ccc(Cl)c(Cl)c1 ZINC000627103380 715997224 /nfs/dbraw/zinc/99/72/24/715997224.db2.gz QYIWNRFJLIRBKQ-FFSVYQOJSA-N 2 0 373.328 3.023 20 0 FGADRP C[C@H](O)C[NH+]1CCC(C[N@H+](C)CCc2cccc(C(F)(F)F)c2)CC1 ZINC000628165138 716119329 /nfs/dbraw/zinc/11/93/29/716119329.db2.gz NTRLNPWJBSMSPE-HNNXBMFYSA-N 2 0 358.448 3.273 20 0 FGADRP COc1ccc(-c2nc3c(s2)[C@@H]([NH2+]CCOCCC[NH3+])CCC3)cc1 ZINC000629535051 716304246 /nfs/dbraw/zinc/30/42/46/716304246.db2.gz CHWFLDSVKYUQLP-INIZCTEOSA-N 2 0 361.511 3.151 20 0 FGADRP COc1ccc(-c2nc3c(s2)[C@H]([NH2+]CCOCCC[NH3+])CCC3)cc1 ZINC000629535062 716304663 /nfs/dbraw/zinc/30/46/63/716304663.db2.gz CHWFLDSVKYUQLP-MRXNPFEDSA-N 2 0 361.511 3.151 20 0 FGADRP Cc1cc(Br)ccc1[C@H]1CCC[N@@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000629580380 716310992 /nfs/dbraw/zinc/31/09/92/716310992.db2.gz ABYNPRIABRRJIV-DOTOQJQBSA-N 2 0 365.315 3.415 20 0 FGADRP C[N@H+](CC(=O)NC[C@@H]1CC[NH+](C)[C@H]1c1ccc(Cl)c(F)c1)C1CCC1 ZINC000629977543 716373117 /nfs/dbraw/zinc/37/31/17/716373117.db2.gz KREKCYXNMNSATK-LIRRHRJNSA-N 2 0 367.896 3.072 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)c1ccccc1Cl ZINC000635188610 717152498 /nfs/dbraw/zinc/15/24/98/717152498.db2.gz OPMBENSRBNNCEF-QAPCUYQASA-N 2 0 351.922 3.181 20 0 FGADRP C[N@@H+]1CCC[C@@H](CNC(=O)C23CCC[NH+](CCC2)C3)[C@H]1c1cccs1 ZINC000635602423 717181142 /nfs/dbraw/zinc/18/11/42/717181142.db2.gz GYCQDNXTNWTTDN-WMZOPIPTSA-N 2 0 361.555 3.123 20 0 FGADRP COc1cc(C[NH2+]Cc2ccc(OCC[NH+](C)C)cc2)c(Cl)cc1O ZINC000638382560 717442182 /nfs/dbraw/zinc/44/21/82/717442182.db2.gz XFZFLFMQTDYEDF-UHFFFAOYSA-N 2 0 364.873 3.284 20 0 FGADRP COc1ccccc1SC[C@@H](C)C[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000638545168 717456951 /nfs/dbraw/zinc/45/69/51/717456951.db2.gz QFSFFXYOGDXEIJ-INIZCTEOSA-N 2 0 366.571 3.248 20 0 FGADRP [NH3+]C[C@@H]1CN(C(=O)CC[C@H]([NH3+])CC2CCCCC2)CC[C@H]1C(F)(F)F ZINC000638558716 717464874 /nfs/dbraw/zinc/46/48/74/717464874.db2.gz RCZXBWLOXRBULV-OWCLPIDISA-N 2 0 363.468 3.050 20 0 FGADRP C[C@H]1C[C@@H](C(=O)N[C@@H](C[NH+](C)C)c2ccc(Cl)c(Cl)c2)CC[NH2+]1 ZINC000638662639 717473086 /nfs/dbraw/zinc/47/30/86/717473086.db2.gz BGDORUBNQMGHGE-RBOXIYTFSA-N 2 0 358.313 3.100 20 0 FGADRP CC(C)(O)C[NH+]1CCC([NH2+]CCc2c[nH]c3cc(F)c(Cl)cc23)CC1 ZINC000639356368 717547827 /nfs/dbraw/zinc/54/78/27/717547827.db2.gz HYMIAMJOUKTKFR-UHFFFAOYSA-N 2 0 367.896 3.328 20 0 FGADRP C[C@@H]([NH2+]Cc1ccc(OCC[NH+](C)C)cc1)[C@@H]1OCCc2sccc21 ZINC000644446184 718112700 /nfs/dbraw/zinc/11/27/00/718112700.db2.gz KHMYRUQENAHKHP-QRWLVFNGSA-N 2 0 360.523 3.481 20 0 FGADRP C[NH2+][C@@H](CC(C)(C)C)C(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000645808380 718242951 /nfs/dbraw/zinc/24/29/51/718242951.db2.gz MNVPEIFVECKNLA-WBVHZDCISA-N 2 0 351.560 3.101 20 0 FGADRP Brc1cc2c(c(C[NH+]3CCC([C@@H]4CC[NH2+]C4)CC3)c1)OCC2 ZINC000647542051 718366479 /nfs/dbraw/zinc/36/64/79/718366479.db2.gz KSAGTGXQUGOUDG-OAHLLOKOSA-N 2 0 365.315 3.206 20 0 FGADRP Brc1cnn(C2CC[NH+](CCCC3CC[NH2+]CC3)CC2)c1 ZINC000647884921 718383150 /nfs/dbraw/zinc/38/31/50/718383150.db2.gz KNZTZHMCUPWVHU-UHFFFAOYSA-N 2 0 355.324 3.062 20 0 FGADRP O=C(C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1)Nc1ccc(F)c(Cl)c1 ZINC000647975401 718390903 /nfs/dbraw/zinc/39/09/03/718390903.db2.gz ZVQDNPSEZJQEIL-UONOGXRCSA-N 2 0 353.869 3.129 20 0 FGADRP CSc1ccccc1NC(=O)CC[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647976441 718391469 /nfs/dbraw/zinc/39/14/69/718391469.db2.gz ONVPCKPZNIULBF-DLBZAZTESA-N 2 0 361.555 3.449 20 0 FGADRP C[NH+](C)CCOc1ccc(C[NH2+]Cc2cccc(C(F)(F)F)n2)cc1 ZINC000648656370 718442165 /nfs/dbraw/zinc/44/21/65/718442165.db2.gz IXUXKRIXOPZSKR-UHFFFAOYSA-N 2 0 353.388 3.331 20 0 FGADRP CC[NH+](CC)CCNC(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000650417376 718675153 /nfs/dbraw/zinc/67/51/53/718675153.db2.gz BJYFUTCTMSQRJG-UHFFFAOYSA-N 2 0 364.559 3.338 20 0 FGADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@H+](Cc3ccc(OC(F)F)c(F)c3)C2)C1 ZINC000650707381 718717396 /nfs/dbraw/zinc/71/73/96/718717396.db2.gz DVZLFYOCROEYFY-JJRVBVJISA-N 2 0 358.404 3.145 20 0 FGADRP Cc1cc(Br)ccc1C[N@@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000650707344 718717448 /nfs/dbraw/zinc/71/74/48/718717448.db2.gz DATKHWKSXLSXLB-RYQLBKOJSA-N 2 0 367.331 3.476 20 0 FGADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@H+](Cc3ccc(Br)c(F)c3)C2)C1 ZINC000650708175 718718107 /nfs/dbraw/zinc/71/81/07/718718107.db2.gz UVWRAHKPDASCDP-JJRVBVJISA-N 2 0 371.294 3.307 20 0 FGADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@H+](Cc3c(F)cccc3Br)C2)C1 ZINC000650708446 718718150 /nfs/dbraw/zinc/71/81/50/718718150.db2.gz ZPVVGPRVOSLIFC-PBFPGSCMSA-N 2 0 371.294 3.307 20 0 FGADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@@H+]2Cc2ccc(F)cc2Br)C1 ZINC000650724057 718721211 /nfs/dbraw/zinc/72/12/11/718721211.db2.gz XRODLVOULKHDRA-HYVNUMGLSA-N 2 0 371.294 3.449 20 0 FGADRP CC[NH+](CCCNC(=O)N1CC[C@H](C[N@@H+](C)CC)C1)C1CCCCC1 ZINC000651219697 718783804 /nfs/dbraw/zinc/78/38/04/718783804.db2.gz FMKFXDPKJLXYSW-GOSISDBHSA-N 2 0 352.567 3.014 20 0 FGADRP CC(C)[C@H](C[NH2+][C@@H]1CCc2ccc(F)c(Cl)c21)N1CC[NH+](C)CC1 ZINC000651674592 718849592 /nfs/dbraw/zinc/84/95/92/718849592.db2.gz WFHVMPRJEPSMJV-SJORKVTESA-N 2 0 353.913 3.328 20 0 FGADRP C[C@@H]([NH3+])C[C@H](C)NC(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000652614036 718966388 /nfs/dbraw/zinc/96/63/88/718966388.db2.gz LPDOQVUQFUKGRX-CABCVRRESA-N 2 0 350.532 3.122 20 0 FGADRP C[C@@H]1C[C@@H](NC(=O)Nc2ccc(SCC[NH+]3CCCC3)cc2)CC[NH2+]1 ZINC000652613992 718966452 /nfs/dbraw/zinc/96/64/52/718966452.db2.gz KGXPGFRFHYUPQP-WBVHZDCISA-N 2 0 362.543 3.137 20 0 FGADRP C[C@H]1C[C@@H](NC(=O)Nc2ccc(SCC[NH+]3CCCC3)cc2)CC[NH2+]1 ZINC000652613991 718966538 /nfs/dbraw/zinc/96/65/38/718966538.db2.gz KGXPGFRFHYUPQP-RDJZCZTQSA-N 2 0 362.543 3.137 20 0 FGADRP C[C@H](C[NH2+]C1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000655802191 719342111 /nfs/dbraw/zinc/34/21/11/719342111.db2.gz FAACWHAWLQDNRO-TYZHSBRISA-N 2 0 351.579 3.117 20 0 FGADRP CC[NH+]1CCN(CCC[NH2+]Cc2ccc(-c3scnc3C)cc2)CC1 ZINC000657307331 719622613 /nfs/dbraw/zinc/62/26/13/719622613.db2.gz ARVMZISALRKNFX-UHFFFAOYSA-N 2 0 358.555 3.236 20 0 FGADRP C[C@H]1C[NH+](CCCC[NH2+]Cc2cc(F)ccc2OC(F)F)C[C@H](C)O1 ZINC000657368517 719635023 /nfs/dbraw/zinc/63/50/23/719635023.db2.gz XZWIWNJIPBPOQV-KBPBESRZSA-N 2 0 360.420 3.406 20 0 FGADRP Clc1cccc(N2CC[C@@H]([NH2+]Cc3ccnn3-c3cc[nH+]cc3)C2)c1 ZINC000657388320 719638275 /nfs/dbraw/zinc/63/82/75/719638275.db2.gz IVMYQRJWMYNVNP-MRXNPFEDSA-N 2 0 353.857 3.289 20 0 FGADRP COCc1csc(C[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H]2CO)c1 ZINC000657430837 719648666 /nfs/dbraw/zinc/64/86/66/719648666.db2.gz VFPNDKYUWJJERV-LJQANCHMSA-N 2 0 360.523 3.141 20 0 FGADRP CC(C)(C)c1ncc(C[NH2+]Cc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)s1 ZINC000657595695 719681011 /nfs/dbraw/zinc/68/10/11/719681011.db2.gz RTDQBQATZQRSBA-KRWDZBQOSA-N 2 0 359.539 3.297 20 0 FGADRP CC[C@H](CC(F)F)C[NH+]1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000659911005 719955215 /nfs/dbraw/zinc/95/52/15/719955215.db2.gz BACCDLJWCJSQNY-GOSISDBHSA-N 2 0 353.501 3.417 20 0 FGADRP Brc1ccccc1[C@H]1CCC[N@@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662258517 720405812 /nfs/dbraw/zinc/40/58/12/720405812.db2.gz JFULEXXAETWTPD-CZUORRHYSA-N 2 0 351.288 3.107 20 0 FGADRP c1csc(-c2noc(CCC[N@@H+]3CCC[C@@H](C4CC[NH2+]CC4)C3)n2)c1 ZINC000662295850 720411350 /nfs/dbraw/zinc/41/13/50/720411350.db2.gz IAPWZMFXTZAIMO-MRXNPFEDSA-N 2 0 360.527 3.442 20 0 FGADRP O=C1[C@H]([N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)CCN1c1ccccc1Cl ZINC000662295211 720411501 /nfs/dbraw/zinc/41/15/01/720411501.db2.gz FYTHBKYEAUEELA-VQIMIIECSA-N 2 0 361.917 3.157 20 0 FGADRP CC(C)[NH2+]CC(=O)N(CCC[NH+](C)C)Cc1ccc(Cl)c(Cl)c1 ZINC000662409242 720425631 /nfs/dbraw/zinc/42/56/31/720425631.db2.gz IQYKSJYWSLEWMA-UHFFFAOYSA-N 2 0 360.329 3.272 20 0 FGADRP CC(C)C[C@H](C[NH3+])CC(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000662474430 720432301 /nfs/dbraw/zinc/43/23/01/720432301.db2.gz WYYBFIOABVTVJM-FRQCXROJSA-N 2 0 351.560 3.258 20 0 FGADRP CC[NH+](CC)CCN(Cc1ccc(Cl)cc1)C(=O)C1CC[NH2+]CC1 ZINC000662655868 720450071 /nfs/dbraw/zinc/45/00/71/720450071.db2.gz MHTXIQAGBHOXEX-UHFFFAOYSA-N 2 0 351.922 3.010 20 0 FGADRP CC[NH+](CC)CCN(Cc1ccc(Cl)cc1)C(=O)C[C@@H]1CC[NH2+]C1 ZINC000662654666 720450187 /nfs/dbraw/zinc/45/01/87/720450187.db2.gz DTWSRADYPXQPKA-KRWDZBQOSA-N 2 0 351.922 3.010 20 0 FGADRP C[NH2+]CCCC(=O)N1CCC([NH2+][C@@H]2CCCc3c(Cl)cccc32)CC1 ZINC000665287034 720750169 /nfs/dbraw/zinc/75/01/69/720750169.db2.gz AGKXESXBRNOFAW-LJQANCHMSA-N 2 0 363.933 3.298 20 0 FGADRP [NH3+][C@@H]1CCC[C@@H](NC(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)C1 ZINC000668678494 721329150 /nfs/dbraw/zinc/32/91/50/721329150.db2.gz YNKPELRZOVPIPK-RKVPGOIHSA-N 2 0 364.921 3.046 20 0 FGADRP C[C@@H]([NH2+][C@@H](C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccsc1 ZINC000669937692 721504008 /nfs/dbraw/zinc/50/40/08/721504008.db2.gz OZWNBNXBILAZPZ-JTDSTZFVSA-N 2 0 357.523 3.178 20 0 FGADRP C[NH+]1CCC(CC(=O)NC[C@H](c2cccc(Cl)c2)[NH+]2CCCC2)CC1 ZINC000680358139 722108494 /nfs/dbraw/zinc/10/84/94/722108494.db2.gz OSRKYFUIVVDVBK-LJQANCHMSA-N 2 0 363.933 3.325 20 0 FGADRP C[NH+]1CCC(C)(C[NH2+][C@H]2C[C@H]3C[C@@H](C2)N(C(=O)OC(C)(C)C)C3)CC1 ZINC000707912045 722412376 /nfs/dbraw/zinc/41/23/76/722412376.db2.gz COVCRINOINMWFK-ULQDDVLXSA-N 2 0 351.535 3.096 20 0 FGADRP C[C@H]([NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000715554753 722415922 /nfs/dbraw/zinc/41/59/22/722415922.db2.gz YCEGUXKHFIMCEH-RYQLBKOJSA-N 2 0 353.551 3.484 20 0 FGADRP Cc1nc(C[NH2+]CCC2(O)CC[NH+](Cc3ccccc3)CC2)sc1C ZINC000717907318 722417908 /nfs/dbraw/zinc/41/79/08/722417908.db2.gz PVZVKKCWGHHEFP-UHFFFAOYSA-N 2 0 359.539 3.267 20 0 FGADRP CC(C)CC[N@@H+]1Cc2cccc(NC(=S)NC3CC[NH+](C)CC3)c2C1 ZINC000727978751 722449015 /nfs/dbraw/zinc/44/90/15/722449015.db2.gz PINRRINTTXQBLY-UHFFFAOYSA-N 2 0 360.571 3.429 20 0 FGADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)C[C@H]1C ZINC000740886771 722539227 /nfs/dbraw/zinc/53/92/27/722539227.db2.gz ZJKWFLWLJKLAGY-KURKYZTESA-N 2 0 353.551 3.438 20 0 FGADRP CC[N@@H+]1CC[C@@H]([NH2+]CCC2CCN(C(=O)OC(C)(C)C)CC2)[C@H](C)C1 ZINC000742385864 722556700 /nfs/dbraw/zinc/55/67/00/722556700.db2.gz ZAORDRRSKBIJJJ-SJLPKXTDSA-N 2 0 353.551 3.344 20 0 FGADRP C/C(=C\C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)c1cccc(Cl)c1 ZINC000749993397 722751131 /nfs/dbraw/zinc/75/11/31/722751131.db2.gz FNJRGGHWXYQBJC-BMRADRMJSA-N 2 0 365.949 3.475 20 0 FGADRP CCc1ccc(NC(=S)N(CC[NH+](C)C)C[C@@H]2CCC[N@H+]2CC)cc1 ZINC000751009971 722790607 /nfs/dbraw/zinc/79/06/07/722790607.db2.gz FKIWVASREPZGRB-IBGZPJMESA-N 2 0 362.587 3.294 20 0 FGADRP CC1(C)CC([NH2+]C[C@H](O)c2ccccc2Br)CC(C)(C)[NH2+]1 ZINC000751564718 722813387 /nfs/dbraw/zinc/81/33/87/722813387.db2.gz KLCSLAAURJKFNW-HNNXBMFYSA-N 2 0 355.320 3.381 20 0 FGADRP CC[C@@H]1C[N@H+](CC[C@@H]2CCCC[NH+]2C)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000757107195 722974641 /nfs/dbraw/zinc/97/46/41/722974641.db2.gz TZJKSYZRQHIOSH-SQNIBIBYSA-N 2 0 353.551 3.486 20 0 FGADRP CC[C@@H]1C[N@H+](CC[C@H]2CCCC[NH+]2C)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000757107193 722974669 /nfs/dbraw/zinc/97/46/69/722974669.db2.gz TZJKSYZRQHIOSH-KURKYZTESA-N 2 0 353.551 3.486 20 0 FGADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H](C)c2cc(Cl)c(N)c(Cl)c2)CC1 ZINC000760156270 723040377 /nfs/dbraw/zinc/04/03/77/723040377.db2.gz JWOVRMFVULQYNB-CHWSQXEVSA-N 2 0 359.345 3.252 20 0 FGADRP Cc1cc(C[NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)cc(C)c1OC(F)F ZINC000762483043 723247577 /nfs/dbraw/zinc/24/75/77/723247577.db2.gz OHCCOAILAKWPSZ-MRXNPFEDSA-N 2 0 356.457 3.495 20 0 FGADRP CCC[N@H+](C)[C@@H](CNC(=S)NCCC[NH+](C)C)c1ccc(Cl)cc1 ZINC000795092688 723562308 /nfs/dbraw/zinc/56/23/08/723562308.db2.gz UCLATXIVOYDORN-KRWDZBQOSA-N 2 0 370.994 3.139 20 0 FGADRP CC[NH+]1CCC(CC[NH2+]Cc2c(C)nn(-c3ccccn3)c2Cl)CC1 ZINC000796315807 723632451 /nfs/dbraw/zinc/63/24/51/723632451.db2.gz NNZAGAOHTIEXAM-UHFFFAOYSA-N 2 0 361.921 3.441 20 0 FGADRP Cc1cc(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)cc(Cl)n1 ZINC000797600604 723840120 /nfs/dbraw/zinc/84/01/20/723840120.db2.gz AQKIYGSQJQUYJW-UHFFFAOYSA-N 2 0 351.922 3.368 20 0 FGADRP C[C@H]([NH2+]C1CC(NC(=O)OC(C)(C)C)C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000798187885 723912060 /nfs/dbraw/zinc/91/20/60/723912060.db2.gz VFDJZKMTQRRMMW-JUVOFCAFSA-N 2 0 351.535 3.285 20 0 FGADRP CN(CC[N@H+](C)Cc1ccc(SC(F)F)cc1)C1CC[NH+](C)CC1 ZINC000774727301 723924190 /nfs/dbraw/zinc/92/41/90/723924190.db2.gz AQVKTCLQVMPHJN-UHFFFAOYSA-N 2 0 357.514 3.459 20 0 FGADRP CC[S@](=O)CC[NH2+][C@H](C)c1ccc(OC)c(C[NH+]2CCCCC2)c1 ZINC000775389860 723987758 /nfs/dbraw/zinc/98/77/58/723987758.db2.gz ZIFCYGDRPLZOKV-GYCJOSAFSA-N 2 0 352.544 3.100 20 0 FGADRP C[N@H+](CC[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)C[C@H]1CCC[NH+](C)C1 ZINC000801922290 724346749 /nfs/dbraw/zinc/34/67/49/724346749.db2.gz HKJSMQFHWXHTED-ROUUACIJSA-N 2 0 353.551 3.297 20 0 FGADRP C[C@H](CC[NH2+]CC1CCN(C(=O)OC(C)(C)C)CC1)[NH+]1CCCCC1 ZINC000784671732 724871325 /nfs/dbraw/zinc/87/13/25/724871325.db2.gz UXQQHXYSMBFELX-QGZVFWFLSA-N 2 0 353.551 3.488 20 0 FGADRP CCN(CCC[NH+](C)C)C(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000786726921 724997768 /nfs/dbraw/zinc/99/77/68/724997768.db2.gz GLNLSTPEDXTPSR-UHFFFAOYSA-N 2 0 352.567 3.014 20 0 FGADRP C[NH+]1CCC(C[NH+]2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)CC1 ZINC000788475691 725066515 /nfs/dbraw/zinc/06/65/15/725066515.db2.gz RKZKPTAWJXHNHI-UHFFFAOYSA-N 2 0 370.324 3.093 20 0 FGADRP C[NH+](C)C[C@@H]1CC[N@H+](C[C@H]2CC[C@H](CNC(=O)OC(C)(C)C)CC2)C1 ZINC000809945941 725277352 /nfs/dbraw/zinc/27/73/52/725277352.db2.gz IFPQGIFPYAISIP-BZSNNMDCSA-N 2 0 353.551 3.201 20 0 FGADRP CC(C)(C)OC(=O)N1CCC(C[NH2+]CCCCC[NH+]2CCCC2)CC1 ZINC000815152050 727046386 /nfs/dbraw/zinc/04/63/86/727046386.db2.gz XYRQUADQYIXUJX-UHFFFAOYSA-N 2 0 353.551 3.489 20 0 FGADRP O[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)c1ccc(OC(F)(F)F)cc1 ZINC000817900258 727287515 /nfs/dbraw/zinc/28/75/15/727287515.db2.gz LSNCUOIZYRWXOT-QBPKDAKJSA-N 2 0 358.404 3.129 20 0 FGADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@H](C)[C@H](O)c1c(F)cccc1Cl ZINC000817916976 727287821 /nfs/dbraw/zinc/28/78/21/727287821.db2.gz CAYCUXDNJVXZIE-NMOXLHADSA-N 2 0 351.853 3.414 20 0 FGADRP O[C@@H](C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1)c1cccc(Br)c1 ZINC000817929603 727288079 /nfs/dbraw/zinc/28/80/79/727288079.db2.gz IRYOYQPKXHZISM-FJIDUMEYSA-N 2 0 367.331 3.383 20 0 FGADRP CCC[NH+]1CCC(C[NH2+]C[C@H](O)c2ccccc2Br)CC1 ZINC000818990894 727335492 /nfs/dbraw/zinc/33/54/92/727335492.db2.gz RNOYXADGUNBQLE-KRWDZBQOSA-N 2 0 355.320 3.194 20 0 FGADRP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]C[C@@](C)(O)c2ccc(Br)cc2F)C1 ZINC000819134548 727351026 /nfs/dbraw/zinc/35/10/26/727351026.db2.gz IDOGWJOAVVJWIO-CKEIUWERSA-N 2 0 373.310 3.258 20 0 FGADRP CC(C)[C@@H](CNC(=O)OC(C)(C)C)C[NH2+]C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000823818572 729306680 /nfs/dbraw/zinc/30/66/80/729306680.db2.gz IDKUGTHSHPXXQS-ZWKOTPCHSA-N 2 0 355.567 3.493 20 0 FGADRP C[C@H](CC[NH2+]C[C@@]12C[C@@H]1CN(C(=O)OC(C)(C)C)C2)[NH+]1CCCCC1 ZINC000824153377 729321628 /nfs/dbraw/zinc/32/16/28/729321628.db2.gz JGDQOQWYTRYKTJ-MBOZVWFJSA-N 2 0 351.535 3.098 20 0 FGADRP C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+]CCC[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000824991838 729367014 /nfs/dbraw/zinc/36/70/14/729367014.db2.gz AHHZGJXRDZEQAG-NXHRZFHOSA-N 2 0 351.535 3.238 20 0 FGADRP CC[C@H]([NH2+]CCC1CC[NH+](C)CC1)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000834567099 729815099 /nfs/dbraw/zinc/81/50/99/729815099.db2.gz YBUORVHGRZTIRV-ROUUACIJSA-N 2 0 353.551 3.486 20 0 FGADRP CC[C@H]([NH2+]CC1(C)CC[NH+](C)CC1)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000834756140 729831791 /nfs/dbraw/zinc/83/17/91/729831791.db2.gz KPYHYPNLMGAAPG-IRXDYDNUSA-N 2 0 353.551 3.486 20 0 FGADRP Fc1ccc([C@@H]2CC[NH2+]C[C@@H]2C[NH2+][C@@H]2CC[C@@H]3SCCS[C@@H]23)cc1 ZINC000841075633 730207980 /nfs/dbraw/zinc/20/79/80/730207980.db2.gz TVECFNMVPSAALQ-XXQMMXQMSA-N 2 0 366.571 3.488 20 0 FGADRP Ic1ccccc1C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000843126431 730588924 /nfs/dbraw/zinc/58/89/24/730588924.db2.gz REXLDUKNALCKDN-KBPBESRZSA-N 2 0 370.278 3.113 20 0 FGADRP COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000843364004 730610844 /nfs/dbraw/zinc/61/08/44/730610844.db2.gz JJGKEGYMEPRRMB-CQSZACIVSA-N 2 0 365.905 3.060 20 0 FGADRP C[C@@H](C(=O)Nc1cccc(C(F)(F)F)c1)[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000843364222 730610884 /nfs/dbraw/zinc/61/08/84/730610884.db2.gz SRRUYRXNHWCTQU-ZDUSSCGKSA-N 2 0 355.404 3.108 20 0 FGADRP C[C@@H](C(=O)Nc1ccc(Cl)c(Cl)c1)[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000843363905 730611017 /nfs/dbraw/zinc/61/10/17/730611017.db2.gz SNVDPDLWLMZFTL-LBPRGKRZSA-N 2 0 356.297 3.396 20 0 FGADRP CSC1(C[NH2+][C@@H]2C[C@@H](C)CN(C(=O)OC(C)(C)C)C2)CC[NH+](C)CC1 ZINC000843410406 730616638 /nfs/dbraw/zinc/61/66/38/730616638.db2.gz SWDOFEXDJGDITK-HZPDHXFCSA-N 2 0 371.591 3.049 20 0 FGADRP Cc1cc([C@H]([NH3+])CC(=O)Nc2ccc(C[NH+](C)C)c(F)c2)cc(Cl)n1 ZINC000844188977 730691416 /nfs/dbraw/zinc/69/14/16/730691416.db2.gz FNAFZFRQDLULLY-MRXNPFEDSA-N 2 0 364.852 3.273 20 0 FGADRP [NH3+]CCCCCC[NH+]1CCN(Cc2ccc(Br)s2)CC1 ZINC000846221970 730937314 /nfs/dbraw/zinc/93/73/14/730937314.db2.gz RVDGJYJBAFLLSF-UHFFFAOYSA-N 2 0 360.365 3.147 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000849108037 731230185 /nfs/dbraw/zinc/23/01/85/731230185.db2.gz VDAMUGVWBCNRDT-CZUORRHYSA-N 2 0 356.436 3.407 20 0 FGADRP C[C@@H]([NH2+][C@@H](C)CN(C)CCC[NH+](C)C)c1cc(Cl)c(N)c(Cl)c1 ZINC000850501945 731365714 /nfs/dbraw/zinc/36/57/14/731365714.db2.gz QBWZUKPSSQFVBG-QWHCGFSZSA-N 2 0 361.361 3.498 20 0 FGADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@]12OCCC[C@H]1C2(F)F ZINC000850534301 731370207 /nfs/dbraw/zinc/37/02/07/731370207.db2.gz LJASAKXJZBJTKH-AITUJVMLSA-N 2 0 350.453 3.301 20 0 FGADRP Cc1nc(-c2cccc(NC(=O)[C@@]3(C(F)(F)F)CC[NH2+]C3)c2)[nH]c1C ZINC000852863162 731641357 /nfs/dbraw/zinc/64/13/57/731641357.db2.gz RMGMPXLMQXCLLH-MRXNPFEDSA-N 2 0 352.360 3.174 20 0 FGADRP C[C@H](CC(=O)Nc1cccnc1Cl)[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000853239511 731686268 /nfs/dbraw/zinc/68/62/68/731686268.db2.gz GYOUEAAGZMEELL-GDBMZVCRSA-N 2 0 364.921 3.164 20 0 FGADRP Cc1ncc(C[NH+]2CC[C@@H](Oc3ccnc(C[N@@H+](C)C(C)C)c3)C2)s1 ZINC000856561852 732038748 /nfs/dbraw/zinc/03/87/48/732038748.db2.gz SRCKVRWVGWNQBB-GOSISDBHSA-N 2 0 360.527 3.340 20 0 FGADRP CC[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](C[C@H]3CCC(F)(F)C3)C2)ccn1 ZINC000856585111 732039918 /nfs/dbraw/zinc/03/99/18/732039918.db2.gz ZMIRUKMHQBUCJQ-MAUKXSAKSA-N 2 0 353.457 3.422 20 0 FGADRP CC1CC[NH+](C2CCC([NH2+]Cc3cn(C)nc3Br)CC2)CC1 ZINC000858154030 732186676 /nfs/dbraw/zinc/18/66/76/732186676.db2.gz XLKSLIKNGVQZKL-UHFFFAOYSA-N 2 0 369.351 3.315 20 0 FGADRP C[NH+]1CCC(CC[NH2+]C[C@@H](CC(F)(F)F)NC(=O)OC(C)(C)C)CC1 ZINC000865450589 733203288 /nfs/dbraw/zinc/20/32/88/733203288.db2.gz RKWYYHKURGAPRB-CQSZACIVSA-N 2 0 367.456 3.154 20 0 FGADRP C[C@@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000865819076 733274853 /nfs/dbraw/zinc/27/48/53/733274853.db2.gz BCYNYZHGTIVKPN-BPQIPLTHSA-N 2 0 351.535 3.238 20 0 FGADRP CC(C)[C@H](C[NH2+][C@H](C)c1cc2c(ccnc2Cl)o1)N1CC[NH+](C)CC1 ZINC000866225676 733326590 /nfs/dbraw/zinc/32/65/90/733326590.db2.gz BJHLJXRFHVEORM-ZBFHGGJFSA-N 2 0 364.921 3.404 20 0 FGADRP C[N@@H+]1CC[C@H]([NH2+][C@H]2CC[C@H](NC(=O)OC(C)(C)C)CC2)[C@@H]2CCC[C@@H]21 ZINC000866467776 733354170 /nfs/dbraw/zinc/35/41/70/733354170.db2.gz PZYIAVMCNLAVFS-ATIWLJMLSA-N 2 0 351.535 3.285 20 0 FGADRP C[NH+](C)C1(C)CCC([NH2+]C[C@@H](O)c2ccccc2Br)CC1 ZINC000872229205 735605582 /nfs/dbraw/zinc/60/55/82/735605582.db2.gz OYMOEFRYXAQJSV-BLDCVEFLSA-N 2 0 355.320 3.335 20 0 FGADRP CC1CCN(c2ccc(C[NH2+]Cc3cc4c(s3)CC[NH2+]C4)cn2)CC1 ZINC000873212155 735738474 /nfs/dbraw/zinc/73/84/74/735738474.db2.gz IJNPRQISQYKOQG-UHFFFAOYSA-N 2 0 356.539 3.315 20 0 FGADRP FC(F)(F)COc1ncccc1C[NH2+]Cc1cc2c(s1)CC[NH2+]C2 ZINC000873211882 735738642 /nfs/dbraw/zinc/73/86/42/735738642.db2.gz FYZWXUMLLNPDTA-UHFFFAOYSA-N 2 0 357.401 3.020 20 0 FGADRP FC(F)(F)C(F)(F)OCC[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000873283607 735746619 /nfs/dbraw/zinc/74/66/19/735746619.db2.gz XSFOTWYZLMLAMP-GXTWGEPZSA-N 2 0 366.330 3.004 20 0 FGADRP C[C@@H]([NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2)c1ccc(Br)cc1 ZINC000873289085 735746748 /nfs/dbraw/zinc/74/67/48/735746748.db2.gz DWKMSSCSVVRVSV-CJNGLKHVSA-N 2 0 353.304 3.258 20 0 FGADRP Clc1ccc2c(c1)OCCC[C@H]2[NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873292542 735747023 /nfs/dbraw/zinc/74/70/23/735747023.db2.gz SXMHRDGLGLALFT-NVXWUHKLSA-N 2 0 350.890 3.302 20 0 FGADRP C[C@H]([NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2)c1ccc(Br)s1 ZINC000873290529 735747223 /nfs/dbraw/zinc/74/72/23/735747223.db2.gz RDFWQUKLSVXJPI-RYUDHWBXSA-N 2 0 359.333 3.320 20 0 FGADRP Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)/C=C/[C@H]1CCC[NH2+]C1 ZINC000876743788 736139331 /nfs/dbraw/zinc/13/93/31/736139331.db2.gz MEFPAUIDMIKMIA-DKRLNXSXSA-N 2 0 359.539 3.038 20 0 FGADRP Cc1nc(C2CC[NH2+]CC2)sc1C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000876768338 736141615 /nfs/dbraw/zinc/14/16/15/736141615.db2.gz HVCMUGZXBIGMCI-HNNXBMFYSA-N 2 0 366.575 3.015 20 0 FGADRP Nc1c(Cl)cccc1C[NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1 ZINC000877077005 736185136 /nfs/dbraw/zinc/18/51/36/736185136.db2.gz TVXPVXZSOWNRMI-UHFFFAOYSA-N 2 0 359.901 3.169 20 0 FGADRP COC(=O)c1ccc(C[NH2+]CC[C@@H]2CCC[N@H+](C)C2)cc1Br ZINC000877584072 736688367 /nfs/dbraw/zinc/68/83/67/736688367.db2.gz BXFZWFBTHRJNFF-ZDUSSCGKSA-N 2 0 369.303 3.057 20 0 FGADRP Cc1cc(C[NH+]2CC[C@@H](Oc3ccnc(C[N@@H+](C)C(C)C)c3)C2)sn1 ZINC000877645580 736699310 /nfs/dbraw/zinc/69/93/10/736699310.db2.gz PFFLHVWFNUTTSZ-GOSISDBHSA-N 2 0 360.527 3.340 20 0 FGADRP C([C@@H]1CCC2(CCOCC2)O1)[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000878050130 736763689 /nfs/dbraw/zinc/76/36/89/736763689.db2.gz QWGPZKVOKLEQGV-UXHICEINSA-N 2 0 350.547 3.303 20 0 FGADRP C[N@@H+]1CC[C@@H]2CN(CCC(=O)Nc3c(Cl)cccc3Cl)CC[C@@H]21 ZINC000879576868 737009541 /nfs/dbraw/zinc/00/95/41/737009541.db2.gz YOGXTOUKQFDDFE-DOMZBBRYSA-N 2 0 356.297 3.348 20 0 FGADRP CCOC(=O)c1ncc(C[N@H+](CC(C)C)CC2CC[NH+](C)CC2)s1 ZINC000879703856 737035116 /nfs/dbraw/zinc/03/51/16/737035116.db2.gz ZVRBOFGOLFDYOH-UHFFFAOYSA-N 2 0 353.532 3.120 20 0 FGADRP CC[C@H]([NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1)c1sccc1Cl ZINC000883227972 737538472 /nfs/dbraw/zinc/53/84/72/737538472.db2.gz BUCURXHLHXCLIA-INIZCTEOSA-N 2 0 371.978 3.239 20 0 FGADRP CC(C)[C@@H]([NH3+])C(C)(C)C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000884203572 737643282 /nfs/dbraw/zinc/64/32/82/737643282.db2.gz ZRELMAFUFGWRHB-QGZVFWFLSA-N 2 0 351.560 3.086 20 0 FGADRP OC[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000886813885 739305374 /nfs/dbraw/zinc/30/53/74/739305374.db2.gz WZJYUXLZQSIKKU-GOSISDBHSA-N 2 0 356.432 3.419 20 0 FGADRP F[C@H]1CC2(CC[C@H]1[NH+]1CCC(C[NH+]3CCCCCC3)CC1)OCCO2 ZINC000891611735 739920678 /nfs/dbraw/zinc/92/06/78/739920678.db2.gz VDRFWAVRAUVFCU-RBUKOAKNSA-N 2 0 354.510 3.208 20 0 FGADRP CCCN(C(=O)c1cccs1)C1CC[NH+](CC2CC[NH+](C)CC2)CC1 ZINC000892233761 739978432 /nfs/dbraw/zinc/97/84/32/739978432.db2.gz JLWHEFRNUYLOGK-UHFFFAOYSA-N 2 0 363.571 3.407 20 0 FGADRP CC(C)[N@H+](C)Cc1cccc(C[NH2+][C@@H]2CCC3(C[C@@H]2F)OCCO3)c1 ZINC000892697412 740033814 /nfs/dbraw/zinc/03/38/14/740033814.db2.gz SDCIYIYYIKOCHQ-RBUKOAKNSA-N 2 0 350.478 3.250 20 0 FGADRP CSc1ccccc1OC[C@@H](O)C[N@H+](CC1CC[NH+](C)CC1)C(C)C ZINC000894912917 742352767 /nfs/dbraw/zinc/35/27/67/742352767.db2.gz JWXSILWGIPMDTI-SFHVURJKSA-N 2 0 366.571 3.200 20 0 FGADRP CC(C)(C)OC(=O)N[C@H]1C[C@@H](C[NH+]2CCC(C)([NH+]3CCCC3)CC2)C1 ZINC000895735815 742449355 /nfs/dbraw/zinc/44/93/55/742449355.db2.gz HQEKPOIIZNMVDE-CALCHBBNSA-N 2 0 351.535 3.240 20 0 FGADRP C[NH+]1CCC(C[NH2+]C2(C3CCN(C(=O)OC(C)(C)C)CC3)CC2)CC1 ZINC000897963840 742729061 /nfs/dbraw/zinc/72/90/61/742729061.db2.gz TYWYEUPJMNZJQO-UHFFFAOYSA-N 2 0 351.535 3.098 20 0 FGADRP CSc1ccc(Br)cc1CC[NH2+][C@@H]1CCOC[C@H]1[C@H](C)[NH3+] ZINC000902428959 743742480 /nfs/dbraw/zinc/74/24/80/743742480.db2.gz IPSOWEPRPUIENN-TUKIKUTGSA-N 2 0 373.360 3.055 20 0 FGADRP CC(C)[C@@H](C[NH2+][C@@H](C)c1ccc(C(F)(F)F)cn1)N1CC[NH+](C)CC1 ZINC000902739157 743771711 /nfs/dbraw/zinc/77/17/11/743771711.db2.gz IUWBVKFNGFRRJA-WMLDXEAASA-N 2 0 358.452 3.023 20 0 FGADRP FC(F)(F)CN1CCC(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)CC1 ZINC000903107078 743805623 /nfs/dbraw/zinc/80/56/23/743805623.db2.gz LJEHZMDYZWLQAA-ZNXRZULTSA-N 2 0 359.480 3.398 20 0 FGADRP c1ccc2sc(C3CC[NH+](C[C@@H]4C[C@@]5(CC[NH2+]C5)CO4)CC3)nc2c1 ZINC000903733248 743880029 /nfs/dbraw/zinc/88/00/29/743880029.db2.gz LIPWYGJDALPGTN-OXJNMPFZSA-N 2 0 357.523 3.244 20 0 FGADRP Brc1ccc([C@@H]2CCC[N@@H+]2C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)s1 ZINC000903758769 743880967 /nfs/dbraw/zinc/88/09/67/743880967.db2.gz MHXGEYVGMWNPNC-HEHGZKQESA-N 2 0 371.344 3.416 20 0 FGADRP Fc1ccc([C@@H]2CCC[N@H+](C[C@@H]3CC4(CO3)CC[NH2+]CC4)C2)cc1F ZINC000903769292 743881810 /nfs/dbraw/zinc/88/18/10/743881810.db2.gz BQGSJDGWTQLZBO-SJORKVTESA-N 2 0 350.453 3.303 20 0 FGADRP [NH3+]CC1(c2ccccc2)CC[NH+](C[C@@H]2CCC[C@H](C(F)(F)F)O2)CC1 ZINC000903790889 743884361 /nfs/dbraw/zinc/88/43/61/743884361.db2.gz FWSGDKVARYJYSX-DLBZAZTESA-N 2 0 356.432 3.479 20 0 FGADRP CCC[C@@H]([NH2+]C[C@@H](C[NH3+])Cc1cnn(C)c1C)c1ccc(F)cc1F ZINC000903922997 743897801 /nfs/dbraw/zinc/89/78/01/743897801.db2.gz JCAWCXUCHYOJNJ-AUUYWEPGSA-N 2 0 350.457 3.255 20 0 FGADRP C[NH+](C)CCCCCCCNC(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000920919980 758621722 /nfs/dbraw/zinc/62/17/22/758621722.db2.gz GDUCZYANZWKJSB-UHFFFAOYSA-N 2 0 352.567 3.158 20 0 FGADRP FC(F)(F)CCN1CCC([NH2+]C[C@@H]2CCCN2CC(F)(F)F)CC1 ZINC000922707327 758987329 /nfs/dbraw/zinc/98/73/29/758987329.db2.gz ALFHZRXTTJFLHP-ZDUSSCGKSA-N 2 0 361.374 3.020 20 0 FGADRP CC1([NH+]2CCC2)CCC([NH2+]Cc2ccc(Cl)cc2-n2cncn2)CC1 ZINC000922844561 759013861 /nfs/dbraw/zinc/01/38/61/759013861.db2.gz DSVNBPQAFVDZIU-UHFFFAOYSA-N 2 0 359.905 3.417 20 0 FGADRP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](C[C@H](O)c2ccc(Cl)cc2Cl)CC1 ZINC000923374615 759107729 /nfs/dbraw/zinc/10/77/29/759107729.db2.gz BSLZMTXHTNGVOS-SQNIBIBYSA-N 2 0 373.324 3.245 20 0 FGADRP COC(=O)c1cnc(C2CC[NH+](CCC3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)s1 ZINC000923401782 759112109 /nfs/dbraw/zinc/11/21/09/759112109.db2.gz QFVUEGGEKKDHCY-VHRNVKJDSA-N 2 0 363.527 3.030 20 0 FGADRP C[C@H](c1ccc(Br)cc1)[NH+]1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000923448693 759119149 /nfs/dbraw/zinc/11/91/49/759119149.db2.gz GFNVJQLNFMHFGL-CZUORRHYSA-N 2 0 353.304 3.340 20 0 FGADRP C[C@H]([NH2+]CCNC(=O)c1ccccc1Cl)c1cccc(C[NH+](C)C)c1 ZINC000925059049 759439648 /nfs/dbraw/zinc/43/96/48/759439648.db2.gz BDIYCJCSQYDYST-HNNXBMFYSA-N 2 0 359.901 3.482 20 0 FGADRP CS(=O)(=O)c1ccc(C[NH2+][C@@H](CCC[NH3+])c2ccccc2)cc1Cl ZINC000925651157 759517288 /nfs/dbraw/zinc/51/72/88/759517288.db2.gz XLEKDIPQUXVQFW-KRWDZBQOSA-N 2 0 366.914 3.313 20 0 FGADRP O=C1O[C@H](C[NH2+][C@H]2CCc3cc(Cl)cc(Cl)c32)CC12CC[NH2+]CC2 ZINC000925849941 759557323 /nfs/dbraw/zinc/55/73/23/759557323.db2.gz GCCCBFQKHWUJNZ-ZFWWWQNUSA-N 2 0 369.292 3.256 20 0 FGADRP O=C1O[C@H](C[NH2+][C@H]2CCSc3ccc(Cl)cc32)CC12CC[NH2+]CC2 ZINC000925852982 759559257 /nfs/dbraw/zinc/55/92/57/759559257.db2.gz JAVAGFMSVNDNAU-ZFWWWQNUSA-N 2 0 366.914 3.152 20 0 FGADRP CC(C)[C@H]([NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ccc(Cl)cc1F ZINC000925856374 759560477 /nfs/dbraw/zinc/56/04/77/759560477.db2.gz NNROULCSXNGHAO-YOEHRIQHSA-N 2 0 368.880 3.451 20 0 FGADRP C[C@H]([NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ccc(Cl)cc1Cl ZINC000925857205 759561601 /nfs/dbraw/zinc/56/16/01/759561601.db2.gz SEFWSZMNYCQNTF-WCQYABFASA-N 2 0 357.281 3.329 20 0 FGADRP [NH3+][C@@H]1CC[C@H](C[NH2+][C@@H](c2ccc(Br)cc2)c2cncnc2)C1 ZINC000925881413 759565768 /nfs/dbraw/zinc/56/57/68/759565768.db2.gz AILCQTAYCYCERM-VUCTXSBTSA-N 2 0 361.287 3.046 20 0 FGADRP C[C@H]([NH2+]Cc1ccc(S(C)(=O)=O)s1)c1cccc(C[NH+](C)C)c1 ZINC000926250011 759687738 /nfs/dbraw/zinc/68/77/38/759687738.db2.gz LVVMLGDXOJXING-ZDUSSCGKSA-N 2 0 352.525 3.064 20 0 FGADRP CC(C)CC[NH+]1CCC([NH2+]C[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC000926802339 759824828 /nfs/dbraw/zinc/82/48/28/759824828.db2.gz UGYYHWMPLHCHIY-MAEOIBBWSA-N 2 0 353.551 3.390 20 0 FGADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)C2)C[C@H]1C ZINC000929780128 760456022 /nfs/dbraw/zinc/45/60/22/760456022.db2.gz KWIIAYZBRGLAOJ-BDXSIMOUSA-N 2 0 353.551 3.484 20 0 FGADRP C[C@@H]1[C@H](C(=O)N2CC[C@@H]([NH2+]Cc3cccc(Cl)c3Cl)C2)CC[N@@H+]1C ZINC000968728819 762841976 /nfs/dbraw/zinc/84/19/76/762841976.db2.gz ZACWYQUCENTAEF-BPLDGKMQSA-N 2 0 370.324 3.024 20 0 FGADRP C[C@@H]1[C@H](C(=O)N2CCC(C[NH2+]Cc3ccccc3Cl)CC2)CC[N@@H+]1C ZINC000997785737 765083140 /nfs/dbraw/zinc/08/31/40/765083140.db2.gz LPCFLBDDIJPFKS-CRAIPNDOSA-N 2 0 363.933 3.008 20 0 FGADRP CC[C@@H]1[C@@H](C(=O)N(CC)[C@H]2CCC[NH+](CCC(C)C)CC2)CC[N@@H+]1C ZINC000998007579 765091673 /nfs/dbraw/zinc/09/16/73/765091673.db2.gz PJJYWHOJMIIVRP-SLFFLAALSA-N 2 0 351.579 3.466 20 0 FGADRP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3cccc(Cl)c3Cl)C2)CC[N@@H+]1C ZINC001022103669 765973324 /nfs/dbraw/zinc/97/33/24/765973324.db2.gz KKRWZSLJMGBJAL-REBRKWNGSA-N 2 0 370.324 3.070 20 0 FGADRP C[C@@H]1[C@H](C(=O)N2CCCC[C@@H]2C[NH2+]Cc2ccc(Cl)cc2)CC[N@@H+]1C ZINC001024967482 766064876 /nfs/dbraw/zinc/06/48/76/766064876.db2.gz QVHAAPZHOQFSBG-ATZDWAIDSA-N 2 0 363.933 3.151 20 0 FGADRP Cc1cc(C[NH2+]C[C@H]2CC[C@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)cs1 ZINC001050329364 766835547 /nfs/dbraw/zinc/83/55/47/766835547.db2.gz UEIXQOAGOXZMBG-PSBWJHGTSA-N 2 0 363.571 3.161 20 0 FGADRP C[C@@H]([NH2+][C@H](CC(N)=O)c1ccccc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000293555308 257380067 /nfs/dbraw/zinc/38/00/67/257380067.db2.gz FLQSRXSSCODFFR-JRGCBEDISA-N 2 0 351.494 3.103 20 0 FGADRP C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000376696717 257496102 /nfs/dbraw/zinc/49/61/02/257496102.db2.gz PYUIMCJPCVQXFW-FXAWDEMLSA-N 2 0 362.562 3.052 20 0 FGADRP Clc1ccc(SCC[NH+]2CCC(C[NH+]3CCOCC3)CC2)cc1 ZINC000097474497 222183516 /nfs/dbraw/zinc/18/35/16/222183516.db2.gz NSRNDFYIVIPSFE-UHFFFAOYSA-N 2 0 354.947 3.476 20 0 FGADRP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]Cc3ccc(Cn4cncn4)cc3)CC2)C1 ZINC000579631466 505590334 /nfs/dbraw/zinc/59/03/34/505590334.db2.gz ZRDJFIPFJRFGEC-XMSQKQJNSA-N 2 0 367.541 3.459 20 0 FGADRP COc1cc(Br)c(C[N@@H+]2CCC[C@H](CC[NH3+])C2)cc1OC ZINC000070169336 494042137 /nfs/dbraw/zinc/04/21/37/494042137.db2.gz BWINNWLYCWGFMG-GFCCVEGCSA-N 2 0 357.292 3.027 20 0 FGADRP COc1ccc(C[NH+]2CCC(C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)c(F)c1 ZINC000568031330 505599790 /nfs/dbraw/zinc/59/97/90/505599790.db2.gz UQCPQPMWOCDPAT-HOTGVXAUSA-N 2 0 350.478 3.156 20 0 FGADRP COc1cc(Br)c(C[N@@H+]2CCC[C@@H](CC[NH3+])C2)cc1OC ZINC000070169337 494042282 /nfs/dbraw/zinc/04/22/82/494042282.db2.gz BWINNWLYCWGFMG-LBPRGKRZSA-N 2 0 357.292 3.027 20 0 FGADRP CC(C)N(Cc1cc(Br)ccc1F)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000573730556 505606193 /nfs/dbraw/zinc/60/61/93/505606193.db2.gz BXANOHUHESVCQA-INIZCTEOSA-N 2 0 373.310 3.254 20 0 FGADRP CC[N@H+](CCOCC[NH3+])[C@@H]1CCSc2ccc(Br)cc21 ZINC000579714803 505607666 /nfs/dbraw/zinc/60/76/66/505607666.db2.gz YNHWBYZMYWSDLZ-CQSZACIVSA-N 2 0 359.333 3.283 20 0 FGADRP CC1CC[NH+]([C@@H](CNC(=O)C[N@@H+]2CCC(C)(C)C2)c2cccs2)CC1 ZINC000570896133 505605558 /nfs/dbraw/zinc/60/55/58/505605558.db2.gz LDAUGQUKXZVJOV-KRWDZBQOSA-N 2 0 363.571 3.369 20 0 FGADRP CCCn1c2ccccc2nc1CN(CC[NH+](C)C)C[C@H]1CCC[N@@H+]1CC ZINC000576865148 505612386 /nfs/dbraw/zinc/61/23/86/505612386.db2.gz YXKYXGBOCKDWDM-LJQANCHMSA-N 2 0 371.573 3.294 20 0 FGADRP C[C@H]([NH2+]C(C)(C)CNC(=O)[C@@H]1C[NH2+]Cc2ccccc21)c1ccccc1 ZINC000579828738 505628578 /nfs/dbraw/zinc/62/85/78/505628578.db2.gz NLDGVMDBWFVLJK-OXJNMPFZSA-N 2 0 351.494 3.119 20 0 FGADRP O=C(NCCC[NH+]1CCCC1)NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000579896417 505639735 /nfs/dbraw/zinc/63/97/35/505639735.db2.gz JOATXXWUJADCCU-NRFANRHFSA-N 2 0 372.557 3.074 20 0 FGADRP C[C@@H]1C[C@H](NC(=O)NCc2ccccc2C[N@@H+]2CCCC[C@@H]2C)CC[NH2+]1 ZINC000571060782 505644475 /nfs/dbraw/zinc/64/44/75/505644475.db2.gz SQKLLSWWXBJPFL-FUHIMQAGSA-N 2 0 358.530 3.001 20 0 FGADRP C[C@H]([NH2+][C@H]1CCOC2(CCOCC2)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000568307462 505662750 /nfs/dbraw/zinc/66/27/50/505662750.db2.gz WRQVXQCHQQJLSN-HKUYNNGSSA-N 2 0 362.514 3.006 20 0 FGADRP C[C@H](c1ccc(F)cc1)N(C)C(=O)C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000047971756 493767947 /nfs/dbraw/zinc/76/79/47/493767947.db2.gz JROUCFBJGKZOJD-QGZVFWFLSA-N 2 0 361.505 3.153 20 0 FGADRP CC[N@H+](C)[C@H](C(=O)NC[C@@H](c1cccc(OC)c1)[NH+](C)C)c1ccccc1 ZINC000057825949 493803505 /nfs/dbraw/zinc/80/35/05/493803505.db2.gz GOCFLARBEGGXLF-SFTDATJTSA-N 2 0 369.509 3.107 20 0 FGADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)NC[C@H](C)[NH+]1CCC[C@@H](C)C1 ZINC000048828856 493848442 /nfs/dbraw/zinc/84/84/42/493848442.db2.gz ZPHKMPXUDYLLPC-MOPGFXCFSA-N 2 0 374.573 3.446 20 0 FGADRP Cc1ccccc1C[NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000076331155 493867098 /nfs/dbraw/zinc/86/70/98/493867098.db2.gz OKGSIIJCMSMRMV-UHFFFAOYSA-N 2 0 351.494 3.110 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1cccc(Cl)c1F ZINC000076332162 493867982 /nfs/dbraw/zinc/86/79/82/493867982.db2.gz PGPCBEMZTOJSKA-AWEZNQCLSA-N 2 0 370.900 3.359 20 0 FGADRP O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000069178349 493933509 /nfs/dbraw/zinc/93/35/09/493933509.db2.gz WPNQZKSXNHMWHV-FQEVSTJZSA-N 2 0 367.493 3.442 20 0 FGADRP COc1ccc(C[NH+]2CCC(C[NH2+]C[C@@H](O)CC3CCCC3)CC2)cc1 ZINC000577216953 505689582 /nfs/dbraw/zinc/68/95/82/505689582.db2.gz ZSQNIKPNGWXUQR-NRFANRHFSA-N 2 0 360.542 3.438 20 0 FGADRP CC[NH+](CC)CC1CC[NH+](C[C@H](O)Cn2cnc3cc(C)c(C)cc32)CC1 ZINC000051908645 493992722 /nfs/dbraw/zinc/99/27/22/493992722.db2.gz JUPWOQDSMFQCCU-FQEVSTJZSA-N 2 0 372.557 3.068 20 0 FGADRP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+]1CCC[C@@H](C)CC1 ZINC000063302641 494041919 /nfs/dbraw/zinc/04/19/19/494041919.db2.gz DZQDSBJCOZESET-RTBURBONSA-N 2 0 357.542 3.278 20 0 FGADRP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000070450661 494044363 /nfs/dbraw/zinc/04/43/63/494044363.db2.gz AYCNWQDPVQKJFL-LEWJYISDSA-N 2 0 357.542 3.135 20 0 FGADRP CC1CC[NH+](CCCNC(=O)NC2CC[NH+](CC3CCCC3)CC2)CC1 ZINC000063333645 494046458 /nfs/dbraw/zinc/04/64/58/494046458.db2.gz ZGPUCWUMNDYPLK-UHFFFAOYSA-N 2 0 364.578 3.062 20 0 FGADRP C[C@@H]1CC[N@H+](CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)[C@H](C)C1 ZINC000077319036 494056135 /nfs/dbraw/zinc/05/61/35/494056135.db2.gz SSCZRTMJPRFHGH-IAGOWNOFSA-N 2 0 361.555 3.294 20 0 FGADRP COC(=O)c1cccc(OCC[NH+]2CCC(C[NH+]3CCCCCC3)CC2)c1 ZINC000063500329 494061386 /nfs/dbraw/zinc/06/13/86/494061386.db2.gz GBCGWSHTJJVOKB-UHFFFAOYSA-N 2 0 374.525 3.440 20 0 FGADRP C[NH+](C)CCN(Cc1cccs1)C(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000084413999 494070994 /nfs/dbraw/zinc/07/09/94/494070994.db2.gz UNDRQASGPJNLNP-UHFFFAOYSA-N 2 0 374.554 3.083 20 0 FGADRP C[NH+](C)CCN(Cc1cccs1)C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000084431533 494072236 /nfs/dbraw/zinc/07/22/36/494072236.db2.gz WPTQTAUOZDLRIO-UHFFFAOYSA-N 2 0 374.554 3.083 20 0 FGADRP CC(C)(C)CC[NH+]1CCN(C(=O)C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000063784061 494088369 /nfs/dbraw/zinc/08/83/69/494088369.db2.gz ZIUIXAUAHIUKPC-UHFFFAOYSA-N 2 0 371.569 3.479 20 0 FGADRP C[C@H](NC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)C(C)(C)C[NH+](C)C ZINC000085362784 494116570 /nfs/dbraw/zinc/11/65/70/494116570.db2.gz CCRDKECQMCLKQR-WSTZPKSXSA-N 2 0 374.573 3.315 20 0 FGADRP CC[NH+](CC)Cc1cccc(CNC(=O)N(C)[C@@H]2CC[N@H+](C)C[C@@H]2C)c1 ZINC000085390198 494119882 /nfs/dbraw/zinc/11/98/82/494119882.db2.gz JPYVRMBXEULFBP-FXAWDEMLSA-N 2 0 360.546 3.010 20 0 FGADRP C[C@H]([NH2+]C(C)(C)CNC(=O)N(C)[C@H]1CC[N@H+](C)C[C@@H]1C)c1ccccc1 ZINC000085404745 494121489 /nfs/dbraw/zinc/12/14/89/494121489.db2.gz JEVRMHAFOLPCCE-LNLFQRSKSA-N 2 0 360.546 3.097 20 0 FGADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)c1ccn2c(C)cnc2c1 ZINC000571295766 505701018 /nfs/dbraw/zinc/70/10/18/505701018.db2.gz AXXOYICCFZALJL-UHFFFAOYSA-N 2 0 350.466 3.367 20 0 FGADRP CC[C@@H]1C[C@@H](C)C[N@@H+]1CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000072697620 494236289 /nfs/dbraw/zinc/23/62/89/494236289.db2.gz WQWIAEIARINEOC-VQIMIIECSA-N 2 0 361.555 3.294 20 0 FGADRP CCC[N@@H+]1CC[C@@H](CNC(=O)NCc2ccccc2C[NH+]2CCCCC2)C1 ZINC000054509879 494241818 /nfs/dbraw/zinc/24/18/18/494241818.db2.gz GSAKMSOBBZESMB-IBGZPJMESA-N 2 0 372.557 3.204 20 0 FGADRP C[C@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@H+](C)CCc1cccs1 ZINC000072800719 494252591 /nfs/dbraw/zinc/25/25/91/494252591.db2.gz POYXEELIBIHNPG-MJGOQNOKSA-N 2 0 371.550 3.002 20 0 FGADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)N2CCC(CC[NH+](C)C)CC2)C1 ZINC000054698589 494263720 /nfs/dbraw/zinc/26/37/20/494263720.db2.gz YCGOATWCZPLERQ-RXVVDRJESA-N 2 0 372.557 3.195 20 0 FGADRP CC1CC[NH+](CCCCNC(=O)NC[C@@H](c2cccs2)[NH+](C)C)CC1 ZINC000043144368 494269093 /nfs/dbraw/zinc/26/90/93/494269093.db2.gz SWNGIRHAZREKGU-KRWDZBQOSA-N 2 0 366.575 3.162 20 0 FGADRP CC[N@H+](C)C[C@H]1CC[NH+](CCC(=O)Nc2ccccc2Br)C1 ZINC000072861044 494269573 /nfs/dbraw/zinc/26/95/73/494269573.db2.gz DKIDOZWWHYCDIR-CQSZACIVSA-N 2 0 368.319 3.051 20 0 FGADRP CCC[NH+]1CCC(N(C)C(=O)NCCCC[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000066179028 494284860 /nfs/dbraw/zinc/28/48/60/494284860.db2.gz NDUQGWLEJXLVRE-RTBURBONSA-N 2 0 366.594 3.260 20 0 FGADRP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+]([C@@H]3CCN(c4ccc(Cl)c(Cl)c4)C3=O)C[C@@H]21 ZINC000568512107 505712910 /nfs/dbraw/zinc/71/29/10/505712910.db2.gz FXPGKAWOLMONGM-VGOVLVCLSA-N 2 0 368.308 3.158 20 0 FGADRP C[NH+](C)[C@H]1CCC[C@@H]([NH2+]CCC(=O)Nc2ccc(Br)cc2)C1 ZINC000577365043 505713881 /nfs/dbraw/zinc/71/38/81/505713881.db2.gz OPVWUEDJUADPIX-CVEARBPZSA-N 2 0 368.319 3.240 20 0 FGADRP C[C@H](CC(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)C)[C@@H]1CCC[NH2+]C1 ZINC000577369885 505715017 /nfs/dbraw/zinc/71/50/17/505715017.db2.gz OQOAZLFSLJBSPW-QGPMSJSTSA-N 2 0 351.922 3.085 20 0 FGADRP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1ccc(I)cc1 ZINC000044533233 494363717 /nfs/dbraw/zinc/36/37/17/494363717.db2.gz OIWIAFUWDQAIGQ-CHWSQXEVSA-N 2 0 358.267 3.284 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)NC1CC[NH+](CC(C)C)CC1)c1ccccc1 ZINC000079223863 494421892 /nfs/dbraw/zinc/42/18/92/494421892.db2.gz XBYSUEZRGPLWFS-OAQYLSRUSA-N 2 0 374.573 3.489 20 0 FGADRP CNC(=O)c1ccc(C[NH+]2CCC(C[N@H+](C)Cc3ccccc3)CC2)cc1 ZINC000066874095 494430017 /nfs/dbraw/zinc/43/00/17/494430017.db2.gz BPKOKNRTWUQIAM-UHFFFAOYSA-N 2 0 365.521 3.390 20 0 FGADRP Cc1ccc([C@@H](C)[NH2+]Cc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)o1 ZINC000090028334 494430679 /nfs/dbraw/zinc/43/06/79/494430679.db2.gz ZGDZFKVDYUJJFD-QGZVFWFLSA-N 2 0 355.482 3.264 20 0 FGADRP Cc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)CC2 ZINC000090038615 494431318 /nfs/dbraw/zinc/43/13/18/494431318.db2.gz OBBNNRRXFCCEHB-NRFANRHFSA-N 2 0 351.494 3.064 20 0 FGADRP CC(C)C[C@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)c1ccccn1 ZINC000090038704 494432691 /nfs/dbraw/zinc/43/26/91/494432691.db2.gz GIPNDLUZJYSYDA-NRFANRHFSA-N 2 0 368.525 3.250 20 0 FGADRP CCCC[N@H+](C)CC1CC[NH+]([C@H](C)C(=O)NCc2ccc(F)cc2)CC1 ZINC000066960794 494446350 /nfs/dbraw/zinc/44/63/50/494446350.db2.gz CZGYBNFZBFJTKT-QGZVFWFLSA-N 2 0 363.521 3.274 20 0 FGADRP O[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]C2CCN(c3ccccc3)CC2)CC1 ZINC000090525700 494478652 /nfs/dbraw/zinc/47/86/52/494478652.db2.gz OCCANPHYLOWMAF-FCHUYYIVSA-N 2 0 357.542 3.013 20 0 FGADRP CCc1ccc([C@@H](CNC(=O)N2CCC(CC[NH+](C)C)CC2)[NH+](C)C)cc1 ZINC000079572696 494484296 /nfs/dbraw/zinc/48/42/96/494484296.db2.gz WOZSDYLDHFNTTI-OAQYLSRUSA-N 2 0 374.573 3.225 20 0 FGADRP C[C@H]([NH2+][C@@H](C)[C@H](O)Cc1ccccc1)c1cccc(OCC[NH+](C)C)c1 ZINC000090655112 494490764 /nfs/dbraw/zinc/49/07/64/494490764.db2.gz ZKKYRHNSNOSYTR-NPPFBWRTSA-N 2 0 356.510 3.270 20 0 FGADRP C[C@@H]([NH2+]C1CCC([NH+]2CCC(C)CC2)CC1)c1ccc(-n2cnnn2)cc1 ZINC000090775286 494496228 /nfs/dbraw/zinc/49/62/28/494496228.db2.gz GZPSOTKQQJJHFQ-QHGAOEGBSA-N 2 0 368.529 3.356 20 0 FGADRP CCC[NH+]1CCC(CNC(=O)c2oc3ccccc3c2C[NH+](C)C)CC1 ZINC000074250621 494503594 /nfs/dbraw/zinc/50/35/94/494503594.db2.gz OMFIVDSSMFGNPH-UHFFFAOYSA-N 2 0 357.498 3.346 20 0 FGADRP C[C@H](C(=O)NCC1CC[NH+](Cc2cccs2)CC1)[NH+]1CCCCCC1 ZINC000074249762 494503732 /nfs/dbraw/zinc/50/37/32/494503732.db2.gz CIQNTEKJYVPDJK-QGZVFWFLSA-N 2 0 363.571 3.341 20 0 FGADRP Cc1ccc2c(c1)[C@@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)CCCO2 ZINC000090937314 494504969 /nfs/dbraw/zinc/50/49/69/494504969.db2.gz DDQGVOUREIMXPN-IBGZPJMESA-N 2 0 355.482 3.334 20 0 FGADRP CCCC[N@H+](C)CC1CCN(C(=O)NC[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000079826157 494531412 /nfs/dbraw/zinc/53/14/12/494531412.db2.gz FYDGRJRAWZRPNW-NRFANRHFSA-N 2 0 374.573 3.443 20 0 FGADRP C[NH+](C)CCCCC(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000568579595 505727082 /nfs/dbraw/zinc/72/70/82/505727082.db2.gz UCORELQUPAQFBC-QFIPXVFZSA-N 2 0 357.542 3.233 20 0 FGADRP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000056786275 494563218 /nfs/dbraw/zinc/56/32/18/494563218.db2.gz KPVOKPCVMZSCFA-RTBURBONSA-N 2 0 372.557 3.202 20 0 FGADRP Cc1ccc([C@@H]([NH2+]Cc2ccc(N3CC[NH+](C)CC3)nc2)C2CC2)cc1 ZINC000091282911 494577418 /nfs/dbraw/zinc/57/74/18/494577418.db2.gz MBYHYKSMIBJJSS-JOCHJYFZSA-N 2 0 350.510 3.383 20 0 FGADRP C[NH+](C)CCN1CCC([NH2+][C@@H]2CCc3c2cccc3Br)CC1 ZINC000091283704 494577479 /nfs/dbraw/zinc/57/74/79/494577479.db2.gz MYMIKQOZPZKWMI-GOSISDBHSA-N 2 0 366.347 3.052 20 0 FGADRP C[C@@H](CNC(=O)Nc1ccc(SCC[NH+]2CCCCC2)cc1)[NH+](C)C ZINC000580309990 505730146 /nfs/dbraw/zinc/73/01/46/505730146.db2.gz YAPJUMVNDPEORY-INIZCTEOSA-N 2 0 364.559 3.336 20 0 FGADRP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)Cc2cnc(-c3ccsc3)s2)CC1 ZINC000121117045 494603958 /nfs/dbraw/zinc/60/39/58/494603958.db2.gz XFQGMHGSTUCUBK-CQSZACIVSA-N 2 0 365.568 3.396 20 0 FGADRP CC1CC[NH+](CCCNC(=O)NCCCC[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000107941353 494625137 /nfs/dbraw/zinc/62/51/37/494625137.db2.gz LTEYGIVPZMPLIO-WOJBJXKFSA-N 2 0 366.594 3.166 20 0 FGADRP CC(C)(CNC(=O)C1CC[NH+](Cc2ccccc2)CC1)[NH+]1CCCCC1 ZINC000057127066 494649437 /nfs/dbraw/zinc/64/94/37/494649437.db2.gz GYKCNKIGGIPLHD-UHFFFAOYSA-N 2 0 357.542 3.279 20 0 FGADRP CC1(C)CC(NC(=O)C2CC[NH+](Cc3ccccc3)CC2)CC(C)(C)[NH2+]1 ZINC000057152862 494658449 /nfs/dbraw/zinc/65/84/49/494658449.db2.gz VSZDOKQEHNSXDK-UHFFFAOYSA-N 2 0 357.542 3.324 20 0 FGADRP CC[NH+](CC)C[C@@H]1CCN(C(=O)c2oc3ccccc3c2C[NH+](C)C)C1 ZINC000075215740 494708726 /nfs/dbraw/zinc/70/87/26/494708726.db2.gz AZUIEWJNZRLYTL-INIZCTEOSA-N 2 0 357.498 3.298 20 0 FGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H](C)c2cc(Cl)ccc2OC)CC1 ZINC000121355867 494717898 /nfs/dbraw/zinc/71/78/98/494717898.db2.gz NEZPEPJWFGPOBF-HZPDHXFCSA-N 2 0 353.938 3.273 20 0 FGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@@H](C)c2ccc(F)cc2OC(F)F)CC1 ZINC000121371247 494724698 /nfs/dbraw/zinc/72/46/98/494724698.db2.gz IYZXUQHPHAIWDV-GJZGRUSLSA-N 2 0 373.463 3.351 20 0 FGADRP C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]CC1CC[NH+](C)CC1 ZINC000126367772 494726621 /nfs/dbraw/zinc/72/66/21/494726621.db2.gz JDGPVVDGDWLSON-CYBMUJFWSA-N 2 0 368.319 3.098 20 0 FGADRP C[C@@H]([NH2+]CCCC[NH+]1CCN(Cc2ccccc2)CC1)c1cccnc1 ZINC000092739815 494734366 /nfs/dbraw/zinc/73/43/66/494734366.db2.gz ZEDIQDROPLDSAF-HXUWFJFHSA-N 2 0 352.526 3.330 20 0 FGADRP C[C@@H](C(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCCCCC1 ZINC000075410833 494759492 /nfs/dbraw/zinc/75/94/92/494759492.db2.gz QZYBUAZXRYITQL-FPOVZHCZSA-N 2 0 357.542 3.231 20 0 FGADRP C[C@@H](C(=O)N1CCCCCC1)[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092820969 494762671 /nfs/dbraw/zinc/76/26/71/494762671.db2.gz ICKXNORUFPLTQV-IBGZPJMESA-N 2 0 372.557 3.411 20 0 FGADRP CCC[C@@H](C)NC(=O)[C@@H](C)[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821456 494763642 /nfs/dbraw/zinc/76/36/42/494763642.db2.gz QNWRXXFIHCVTER-QZTJIDSGSA-N 2 0 360.546 3.313 20 0 FGADRP C[NH+]1CCN(CCC[NH2+][C@@H]2CCCOc3cc4c(cc32)CCCC4)CC1 ZINC000126481624 494766546 /nfs/dbraw/zinc/76/65/46/494766546.db2.gz JUGDCKBJNVWSKX-OAQYLSRUSA-N 2 0 357.542 3.006 20 0 FGADRP CCC[NH+]1CCN(c2ccccc2C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)CC1 ZINC000092043327 494766747 /nfs/dbraw/zinc/76/67/47/494766747.db2.gz XUOZUZIRJDIRSW-IFMALSPDSA-N 3 0 370.585 3.135 20 0 FGADRP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)NCC[N@H+](C)C2CCCC2)CC1 ZINC000116435077 494786243 /nfs/dbraw/zinc/78/62/43/494786243.db2.gz IFFVDNVPIVCHKP-GOSISDBHSA-N 2 0 372.557 3.386 20 0 FGADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)N2CC[NH+](C3CCCC3)CC2)C1 ZINC000108811085 494791405 /nfs/dbraw/zinc/79/14/05/494791405.db2.gz SYNVGQQPYSYJIE-ICSRJNTNSA-N 2 0 370.541 3.092 20 0 FGADRP CC(C)[NH2+]C1CCN(C(=O)NC2CC[NH+]([C@@H](C)c3ccccc3)CC2)CC1 ZINC000116561144 494815939 /nfs/dbraw/zinc/81/59/39/494815939.db2.gz IGVRVYJYGWEAKE-SFHVURJKSA-N 2 0 372.557 3.384 20 0 FGADRP C[C@H]1CCCN1C(=O)CC[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000075685587 494816694 /nfs/dbraw/zinc/81/66/94/494816694.db2.gz SDWAFNMSOAKDQS-IBGZPJMESA-N 2 0 357.542 3.231 20 0 FGADRP C[C@H]1C[NH+](CCCC[NH2+]Cc2cn(C)nc2-c2ccccc2)C[C@H](C)O1 ZINC000093066170 494822684 /nfs/dbraw/zinc/82/26/84/494822684.db2.gz OTHDLQULVMTEPV-ROUUACIJSA-N 2 0 356.514 3.066 20 0 FGADRP C[N@@H+](CC1=Cc2cc(Br)ccc2OC1)CC1CC[NH+](C)CC1 ZINC000093089155 494824977 /nfs/dbraw/zinc/82/49/77/494824977.db2.gz LXMFYXAWQGNCBT-UHFFFAOYSA-N 2 0 365.315 3.499 20 0 FGADRP C[NH+]1CCN(Cc2ccc(C[NH2+][C@@H]3CCCOc4ccccc43)cc2)CC1 ZINC000126714346 494825254 /nfs/dbraw/zinc/82/52/54/494825254.db2.gz YHMZQNNIWCGWOV-JOCHJYFZSA-N 2 0 365.521 3.438 20 0 FGADRP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3ccc(-c4ccc(C)cc4)o3)C2)CC1 ZINC000093133259 494830065 /nfs/dbraw/zinc/83/00/65/494830065.db2.gz IQOGSNSEEPVPOS-FQEVSTJZSA-N 2 0 353.510 3.467 20 0 FGADRP CC[N@H+](C)Cc1cccc(CNC(=O)N2CCC([NH+]3CCC[C@@H]3C)CC2)c1 ZINC000126856878 494850795 /nfs/dbraw/zinc/85/07/95/494850795.db2.gz IWMXPKQXKDCVGC-SFHVURJKSA-N 2 0 372.557 3.297 20 0 FGADRP O[C@@H](Cc1ccccc1C(F)(F)F)C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000132363494 494862780 /nfs/dbraw/zinc/86/27/80/494862780.db2.gz ZMNQFHPHISFISD-SFHVURJKSA-N 2 0 370.459 3.417 20 0 FGADRP CC(C)[C@H](C[NH2+][C@@H]1CCSc2ccc(F)cc21)N1CC[NH+](C)CC1 ZINC000132389150 494866518 /nfs/dbraw/zinc/86/65/18/494866518.db2.gz UPAQEZLSOGNPQK-MSOLQXFVSA-N 2 0 351.535 3.224 20 0 FGADRP COc1ccc([C@H](C)[NH2+]C[C@@H](C(C)C)N2CC[NH+](C)CC2)cc1Cl ZINC000132446908 494876206 /nfs/dbraw/zinc/87/62/06/494876206.db2.gz ABFPXWFVORPUDX-YJBOKZPZSA-N 2 0 353.938 3.271 20 0 FGADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H]2CCCOc3cc4c(cc32)CCC4)CC1 ZINC000121914856 494888699 /nfs/dbraw/zinc/88/86/99/494888699.db2.gz IRGVKYJLCKMMGY-UWJYYQICSA-N 2 0 357.542 3.005 20 0 FGADRP CCC[NH+]1CCC(NCc2ccccc2N(C)C2CC[NH+](C)CC2)CC1 ZINC000132791786 494925820 /nfs/dbraw/zinc/92/58/20/494925820.db2.gz RLGFHZVPOGFCAY-UHFFFAOYSA-N 2 0 358.574 3.181 20 0 FGADRP CC(=O)Nc1ccccc1C[NH+]1CCC(CC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000093844428 494927181 /nfs/dbraw/zinc/92/71/81/494927181.db2.gz LPYQGWDYRMJQHW-ROUUACIJSA-N 2 0 373.541 3.356 20 0 FGADRP CC(=O)Nc1cccc([C@@H](C)[NH2+]Cc2ccccc2OCC[NH+](C)C)c1 ZINC000122268556 494949920 /nfs/dbraw/zinc/94/99/20/494949920.db2.gz RVQMKUBRFMZPQT-MRXNPFEDSA-N 2 0 355.482 3.436 20 0 FGADRP C[C@H]([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)c1ccc(-n2ccnc2)cc1 ZINC000133041558 494959977 /nfs/dbraw/zinc/95/99/77/494959977.db2.gz YTYJCPJBCZYHGF-ZWKOTPCHSA-N 2 0 354.498 3.024 20 0 FGADRP C[C@@H]([NH2+]Cc1ccccc1OCC[NH+](C)C)c1ccc2c(c1)OCCO2 ZINC000122348953 494962204 /nfs/dbraw/zinc/96/22/04/494962204.db2.gz YTEIRNICTDYIJJ-MRXNPFEDSA-N 2 0 356.466 3.249 20 0 FGADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)NCCC[NH+]2CCCC[C@@H]2C)C1 ZINC000127630517 494973485 /nfs/dbraw/zinc/97/34/85/494973485.db2.gz ZLDWUDJGWDRLSB-MOPGFXCFSA-N 2 0 352.567 3.062 20 0 FGADRP COc1ccc([C@H](C)[NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)cc1O ZINC000577564360 505752976 /nfs/dbraw/zinc/75/29/76/505752976.db2.gz BYJHURQZYWKNCA-INIZCTEOSA-N 2 0 370.493 3.208 20 0 FGADRP CC(C)[NH+]1CCC(C(=O)NC2[C@H](C)C[NH+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000122461119 494979502 /nfs/dbraw/zinc/97/95/02/494979502.db2.gz BFIRXNTXCCJXCS-RTBURBONSA-N 2 0 371.569 3.380 20 0 FGADRP CCCC[N@H+](C)CC1CCN(C(=O)NCc2cccc(C[NH+](C)C)c2)CC1 ZINC000122458607 494979510 /nfs/dbraw/zinc/97/95/10/494979510.db2.gz GMLCICXNXBKFPX-UHFFFAOYSA-N 2 0 374.573 3.402 20 0 FGADRP Cc1nc(-c2ccccc2)sc1[C@@H](C)[NH2+]C[C@H](C)N1CC[NH+](C)CC1 ZINC000127689302 494982670 /nfs/dbraw/zinc/98/26/70/494982670.db2.gz SYKUAPICGJXIIC-JKSUJKDBSA-N 2 0 358.555 3.405 20 0 FGADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H]1CCCc2ncc(C(F)(F)F)cc21 ZINC000133211711 494985598 /nfs/dbraw/zinc/98/55/98/494985598.db2.gz XMIOCSKEPPSTSV-PBHICJAKSA-N 2 0 359.436 3.424 20 0 FGADRP C[NH+](C)CCC1CC[NH+](C[C@@H](O)Cc2ccccc2C(F)(F)F)CC1 ZINC000133460105 495016752 /nfs/dbraw/zinc/01/67/52/495016752.db2.gz ROEKQFFYKXUYKO-KRWDZBQOSA-N 2 0 358.448 3.273 20 0 FGADRP CC[NH+](CC)[C@H](C(=O)NC[C@H](c1ccccc1)[NH+](C)C)c1ccccc1 ZINC000111071716 495036375 /nfs/dbraw/zinc/03/63/75/495036375.db2.gz FHECZBKRMTZKRY-RTWAWAEBSA-N 2 0 353.510 3.489 20 0 FGADRP CCOc1ccc(Cl)cc1[C@@H](C)[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000128334686 495081050 /nfs/dbraw/zinc/08/10/50/495081050.db2.gz WEYAUDFVWOJNNT-MRXNPFEDSA-N 2 0 353.938 3.417 20 0 FGADRP CC[N@H+](CCNC(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1)C(C)C ZINC000111506309 495083764 /nfs/dbraw/zinc/08/37/64/495083764.db2.gz AZMMNYKHYSEYDH-SEJPIABJSA-N 2 0 372.557 3.212 20 0 FGADRP CN(c1ccccc1CN[C@H]1CC[N@@H+](C2CCCC2)C1)C1CC[NH+](C)CC1 ZINC000134029426 495095294 /nfs/dbraw/zinc/09/52/94/495095294.db2.gz GZHMYNMERXUTOU-FQEVSTJZSA-N 2 0 370.585 3.324 20 0 FGADRP c1ccc(COc2cccc(C[NH+]3CCC([C@H]4CC[NH2+]C4)CC3)c2)nc1 ZINC000580445330 505760943 /nfs/dbraw/zinc/76/09/43/505760943.db2.gz SSBODUTUHFRZEI-FQEVSTJZSA-N 2 0 351.494 3.482 20 0 FGADRP C[NH+](C)CCCC1CC[NH+](CC(=O)NCc2ccc(Cl)cc2)CC1 ZINC000123294473 495109495 /nfs/dbraw/zinc/10/94/95/495109495.db2.gz ZLJIRRDQAVMUCQ-UHFFFAOYSA-N 2 0 351.922 3.010 20 0 FGADRP CCC[NH+]1CCC(N(C)C(=O)NCC(C)(C)[N@@H+]2CCC[C@@H](CC)C2)CC1 ZINC000111881078 495124393 /nfs/dbraw/zinc/12/43/93/495124393.db2.gz WDNWZHDBIFBVJC-GOSISDBHSA-N 2 0 366.594 3.403 20 0 FGADRP C[C@H](c1ccc(F)cc1)N(C)C(=O)C[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123473153 495137551 /nfs/dbraw/zinc/13/75/51/495137551.db2.gz ZCJPNCCSTHQJID-QGZVFWFLSA-N 2 0 363.521 3.399 20 0 FGADRP CC(C)([NH3+])c1nocc1C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000571581923 505765445 /nfs/dbraw/zinc/76/54/45/505765445.db2.gz VIBXKCSVRAQJEF-UHFFFAOYSA-N 2 0 370.497 3.174 20 0 FGADRP CCOc1cc2[nH+]ccc(NCC3CC[NH+](CCO)CC3)c2cc1OCC ZINC000112333036 495176639 /nfs/dbraw/zinc/17/66/39/495176639.db2.gz KCYPALOTOZKLQZ-UHFFFAOYSA-N 2 0 373.497 3.148 20 0 FGADRP C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)C[C@@H]([NH3+])c2ccccc2)CC1 ZINC000119639957 495208290 /nfs/dbraw/zinc/20/82/90/495208290.db2.gz MVPAGJOCFLUDNU-JOCHJYFZSA-N 2 0 365.521 3.447 20 0 FGADRP C[C@H](Cn1cc(Br)cn1)[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000119678245 495216347 /nfs/dbraw/zinc/21/63/47/495216347.db2.gz VTWQACFITYZNRJ-QLFBSQMISA-N 2 0 369.351 3.277 20 0 FGADRP C[C@H](Cn1cc(Br)cn1)[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000119678561 495216851 /nfs/dbraw/zinc/21/68/51/495216851.db2.gz VTWQACFITYZNRJ-RBSFLKMASA-N 2 0 369.351 3.277 20 0 FGADRP O[C@H](COc1ccc(Cl)cc1)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134912629 495221602 /nfs/dbraw/zinc/22/16/02/495221602.db2.gz ZTLADUYNOBCCCD-MOXGXCLJSA-N 2 0 364.917 3.028 20 0 FGADRP Cc1ccc(C)c(OC[C@H](O)C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c1C ZINC000134918657 495222766 /nfs/dbraw/zinc/22/27/66/495222766.db2.gz QEPAVTBGQSNNJQ-CEMLEFRQSA-N 2 0 372.553 3.300 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1)c1ccsc1 ZINC000119719158 495225811 /nfs/dbraw/zinc/22/58/11/495225811.db2.gz RPMAIBMJRYADFO-QILLFSRXSA-N 2 0 364.559 3.055 20 0 FGADRP CC[NH+](CC)Cc1cccc(CNC(=O)N(C)CC2CC[NH+](C)CC2)c1 ZINC000103510667 495245074 /nfs/dbraw/zinc/24/50/74/495245074.db2.gz RTGTYWZJPLSRHP-UHFFFAOYSA-N 2 0 360.546 3.012 20 0 FGADRP C[NH+]1CCN(CCC[NH2+][C@H]2CC3(CCCCC3)Oc3ccccc32)CC1 ZINC000129656260 495276409 /nfs/dbraw/zinc/27/64/09/495276409.db2.gz DOVZEVZYGZEDIR-FQEVSTJZSA-N 2 0 357.542 3.440 20 0 FGADRP O=C([C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)N1CCC([NH+]2CCCC2)CC1 ZINC000104405283 495282294 /nfs/dbraw/zinc/28/22/94/495282294.db2.gz KDGKYYPVBLXXAL-IBGZPJMESA-N 2 0 373.516 3.125 20 0 FGADRP C[C@@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)c1cccc(OC(F)F)c1 ZINC000124408729 495282502 /nfs/dbraw/zinc/28/25/02/495282502.db2.gz OVWVLFLYYUMVCE-OAHLLOKOSA-N 2 0 355.473 3.212 20 0 FGADRP Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@@H]2[NH2+]CC2(C)CC[NH2+]CC2)cc1 ZINC000574442093 505774569 /nfs/dbraw/zinc/77/45/69/505774569.db2.gz UQCVJIHSRIAJAF-RBUKOAKNSA-N 2 0 364.555 3.059 20 0 FGADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)N1CCC([NH+]2CCCC2)CC1)c1ccccc1 ZINC000113625576 495322995 /nfs/dbraw/zinc/32/29/95/495322995.db2.gz SBFNVBQBYBRZQY-GOSISDBHSA-N 2 0 372.557 3.386 20 0 FGADRP CN(c1ccccc1C[N@H+](C[C@@H]1CCOC1)C1CC1)C1CC[NH+](C)CC1 ZINC000129994291 495325956 /nfs/dbraw/zinc/32/59/56/495325956.db2.gz PSLGMGMIMQJKAP-SFHVURJKSA-N 2 0 357.542 3.218 20 0 FGADRP CCC[NH+]1CCC(C[NH2+]C[C@H](O)Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000574444897 505774841 /nfs/dbraw/zinc/77/48/41/505774841.db2.gz HIEGHEXCMVCRDW-GOSISDBHSA-N 2 0 358.448 3.320 20 0 FGADRP COc1cc(Br)ccc1CCC[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000130053121 495334271 /nfs/dbraw/zinc/33/42/71/495334271.db2.gz XNSIWKAMMKILME-AWEZNQCLSA-N 2 0 355.320 3.274 20 0 FGADRP CC1CC[NH+](CC(=O)N2CCC(C[N@H+](C)Cc3ccccc3)CC2)CC1 ZINC000135820237 495335807 /nfs/dbraw/zinc/33/58/07/495335807.db2.gz MJQCQVQMSXBJFG-UHFFFAOYSA-N 2 0 357.542 3.089 20 0 FGADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)NC[C@@H]1CCC[NH+](C(C)C)C1 ZINC000105113522 495337912 /nfs/dbraw/zinc/33/79/12/495337912.db2.gz UVQLNSXKASHHBS-IBGZPJMESA-N 2 0 374.573 3.446 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1)c1ccco1 ZINC000105198903 495344661 /nfs/dbraw/zinc/34/46/61/495344661.db2.gz MPOHUBYYIULLPX-QZTJIDSGSA-N 2 0 364.534 3.082 20 0 FGADRP C[NH+](C)[C@H]1CCCN(C(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)C1 ZINC000105204396 495345151 /nfs/dbraw/zinc/34/51/51/495345151.db2.gz SNOPJGISTCPCGL-NRFANRHFSA-N 2 0 372.557 3.298 20 0 FGADRP C[C@H](C[NH2+]Cc1ccc(-c2nc3ccccc3s2)o1)N1CC[NH+](C)CC1 ZINC000105466123 495365266 /nfs/dbraw/zinc/36/52/66/495365266.db2.gz QKFVAVAQPUUZEY-OAHLLOKOSA-N 2 0 370.522 3.282 20 0 FGADRP C[C@@H](c1cccc(Cl)c1)[N@H+](C)Cc1cnc(N2CCN(C)CC2)nc1 ZINC000130365520 495381006 /nfs/dbraw/zinc/38/10/06/495381006.db2.gz IOPIVAKJNKGRFK-HNNXBMFYSA-N 2 0 359.905 3.075 20 0 FGADRP Cc1ccc2c(c1)OCCC[C@@H]2[NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000130462913 495395891 /nfs/dbraw/zinc/39/58/91/495395891.db2.gz OPXAYWRQEQRRMM-FQEVSTJZSA-N 2 0 366.509 3.145 20 0 FGADRP C[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)c1cc2c(s1)CCC2 ZINC000130502406 495401663 /nfs/dbraw/zinc/40/16/63/495401663.db2.gz ILPIQFDSNFIMFU-OAHLLOKOSA-N 2 0 356.539 3.234 20 0 FGADRP C[NH+](C)CC1CCC(NC(=O)N2CCC[N@H+](Cc3ccccc3)CC2)CC1 ZINC000125217805 495408359 /nfs/dbraw/zinc/40/83/59/495408359.db2.gz GHKNXZRILGODFR-UHFFFAOYSA-N 2 0 372.557 3.024 20 0 FGADRP CC(C)(C)[NH+]1CCC(NC(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000114786229 495424499 /nfs/dbraw/zinc/42/44/99/495424499.db2.gz MXFDFKFFSSPIAP-FQEVSTJZSA-N 2 0 372.557 3.213 20 0 FGADRP CC[C@@H]([NH2+]C[C@H](C)CN1CC[NH+](C)CC1)c1cc(Cl)ccc1OC ZINC000120840439 495468307 /nfs/dbraw/zinc/46/83/07/495468307.db2.gz BJZFUAWVTOFYKB-MAUKXSAKSA-N 2 0 353.938 3.273 20 0 FGADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H](C)c2ccc(Br)c(F)c2)CC1 ZINC000131140987 495497684 /nfs/dbraw/zinc/49/76/84/495497684.db2.gz WJWOBDLQXOSKFV-ZIAGYGMSSA-N 2 0 372.326 3.265 20 0 FGADRP CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C(C)C)C2)cc1 ZINC000125882451 495513139 /nfs/dbraw/zinc/51/31/39/495513139.db2.gz SZYKVTYWHKUQAT-IRXDYDNUSA-N 2 0 367.559 3.219 20 0 FGADRP CC[NH+]1CCN([C@H]2CC[N@H+](CCCOc3ccc4ccccc4c3)C2)CC1 ZINC000107371922 495526067 /nfs/dbraw/zinc/52/60/67/495526067.db2.gz PVMBEHORGCSCLE-QFIPXVFZSA-N 2 0 367.537 3.321 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)N(C)CCC[NH+](C)C)C1 ZINC000185353941 495543767 /nfs/dbraw/zinc/54/37/67/495543767.db2.gz DSNKRLOJZJDTDN-KDURUIRLSA-N 2 0 374.573 3.258 20 0 FGADRP C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)N(C)CCC[NH+](C)C)cc2)C1 ZINC000185353758 495544640 /nfs/dbraw/zinc/54/46/40/495544640.db2.gz FICFHFIJLMKZGV-OALUTQOASA-N 2 0 374.573 3.258 20 0 FGADRP C[C@H]1C[C@@H](N(C)C(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)CC[N@@H+]1C ZINC000154339356 495585807 /nfs/dbraw/zinc/58/58/07/495585807.db2.gz KKPGVBZNFIAFJI-ICSRJNTNSA-N 2 0 357.542 3.230 20 0 FGADRP C[C@@H](O)C[C@H]1CCC[NH+]1Cc1ccccc1C[N@H+]1CCC[C@@H]1C[C@@H](C)O ZINC000179453958 495597525 /nfs/dbraw/zinc/59/75/25/495597525.db2.gz WQVSTJMVJXQRJO-MCEIDBOGSA-N 2 0 360.542 3.157 20 0 FGADRP C[N@@H+]1CC[C@H](NC(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)[C@@H]1c1ccccc1 ZINC000179472188 495605095 /nfs/dbraw/zinc/60/50/95/495605095.db2.gz CBYOAABKXHSJBT-HKBOAZHASA-N 2 0 370.541 3.092 20 0 FGADRP C[C@@H]([NH2+]CCCC[NH+]1CCN(C)CC1)c1cccc(-c2ccncc2)c1 ZINC000154443568 495616610 /nfs/dbraw/zinc/61/66/10/495616610.db2.gz RXVDHCXZKQYLQY-LJQANCHMSA-N 2 0 352.526 3.427 20 0 FGADRP O[C@H](COc1c(Cl)cccc1Cl)CN1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150852614 495656538 /nfs/dbraw/zinc/65/65/38/495656538.db2.gz PVUQJBAXEDWADL-CABCVRRESA-N 2 0 373.324 3.151 20 0 FGADRP C[NH+]1CCN(c2cc(C[NH2+][C@H]3CCSc4ccc(F)cc43)ccn2)CC1 ZINC000159122204 495664109 /nfs/dbraw/zinc/66/41/09/495664109.db2.gz NCGWPCAIUVGEGX-SFHVURJKSA-N 2 0 372.513 3.299 20 0 FGADRP Cc1ccncc1CCC[NH2+]CCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000574559031 505801174 /nfs/dbraw/zinc/80/11/74/505801174.db2.gz QYYLZLIAKLXUIO-HSZRJFAPSA-N 2 0 366.553 3.291 20 0 FGADRP Cc1ccc(NC(=O)CN(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000173976129 495772045 /nfs/dbraw/zinc/77/20/45/495772045.db2.gz WKTARHPXWIEGQE-HXUWFJFHSA-N 2 0 351.494 3.387 20 0 FGADRP O[C@@H](Cc1ccc(C(F)(F)F)cc1)C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000151218138 495774693 /nfs/dbraw/zinc/77/46/93/495774693.db2.gz ARHIZGAMJDZELS-AEFFLSMTSA-N 2 0 356.432 3.027 20 0 FGADRP CC1CC[NH+](Cc2cccc(CNC(=O)N(C)CCC[NH+](C)C)c2)CC1 ZINC000185944992 495793169 /nfs/dbraw/zinc/79/31/69/495793169.db2.gz YEEUFCGEBYYFLP-UHFFFAOYSA-N 2 0 360.546 3.012 20 0 FGADRP C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)NCC[NH2+]C(C)(C)C)c1 ZINC000174248428 495881307 /nfs/dbraw/zinc/88/13/07/495881307.db2.gz DAVJYOGFQGUTHK-UHFFFAOYSA-N 2 0 353.510 3.437 20 0 FGADRP C[NH+](C)CCN(C(=O)NC1CC[NH+](C2CCCCC2)CC1)C1CCCC1 ZINC000151647960 495906071 /nfs/dbraw/zinc/90/60/71/495906071.db2.gz JYSGIYHSLFKQQP-UHFFFAOYSA-N 2 0 364.578 3.299 20 0 FGADRP CC[C@@H](C(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1)[N@H+](C)Cc1ccccc1 ZINC000568937009 505812636 /nfs/dbraw/zinc/81/26/36/505812636.db2.gz POWRCPNSWVKBTC-RTWAWAEBSA-N 2 0 357.542 3.374 20 0 FGADRP C[NH+](C)[C@H](CNC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1)c1cccs1 ZINC000171677889 495986416 /nfs/dbraw/zinc/98/64/16/495986416.db2.gz FKTJDEANTFQQLR-DLBZAZTESA-N 2 0 364.559 3.011 20 0 FGADRP C[C@@H]([NH2+]CCc1nn(C)c2ccccc12)c1ccc(OCC[NH+](C)C)cc1 ZINC000186491018 496017240 /nfs/dbraw/zinc/01/72/40/496017240.db2.gz NHLQVZQCRODTBI-QGZVFWFLSA-N 2 0 366.509 3.407 20 0 FGADRP C[C@H]([NH2+]C1(CNC(=O)N2CC[C@@]3(CC[NH2+]C3)C2)CCCC1)c1ccccc1 ZINC000580704393 505818460 /nfs/dbraw/zinc/81/84/60/505818460.db2.gz SCSYMMNLCNYOIC-GHTZIAJQSA-N 2 0 370.541 3.045 20 0 FGADRP CC(C)(C[NH2+]C1CCN(CC(F)F)CC1)N1CCc2ccccc2C1 ZINC000155680673 496033548 /nfs/dbraw/zinc/03/35/48/496033548.db2.gz SWXJQOYZMQXXRA-UHFFFAOYSA-N 2 0 351.485 3.142 20 0 FGADRP Cc1ccc(OC(F)F)c([C@H](C)[NH2+][C@H](C)CCN2CC[NH+](C)CC2)c1 ZINC000186592652 496062134 /nfs/dbraw/zinc/06/21/34/496062134.db2.gz AXRVABMUAGLIIR-CVEARBPZSA-N 2 0 355.473 3.273 20 0 FGADRP C[C@@H]1C[C@@H](N(C)C(=O)CCC2CC[NH2+]CC2)CC[N@@H+]1Cc1ccccc1 ZINC000155985249 496125048 /nfs/dbraw/zinc/12/50/48/496125048.db2.gz XEOFXNLOWHFYKB-NQIIRXRSSA-N 2 0 357.542 3.278 20 0 FGADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N(C)[C@@H]2CC[NH+](C)[C@H](C)C2)C1 ZINC000174838801 496127337 /nfs/dbraw/zinc/12/73/37/496127337.db2.gz WCEYNTHKPFERNX-KZNAEPCWSA-N 2 0 352.567 3.011 20 0 FGADRP [NH3+]C1(CNC(=O)[C@H]2CCCC[C@H]2C2CC2)CC[NH+](Cc2ccccc2)CC1 ZINC000577953910 505826646 /nfs/dbraw/zinc/82/66/46/505826646.db2.gz NVSGFDZCDHBWKE-SFTDATJTSA-N 2 0 369.553 3.313 20 0 FGADRP C[C@H](NC(=O)[C@H](C)N(C)C[C@@H]1CCC[N@H+](C)C1)c1ccc(Cl)cc1 ZINC000152458306 496158087 /nfs/dbraw/zinc/15/80/87/496158087.db2.gz KWYANZUMSFDNCL-HRCADAONSA-N 2 0 351.922 3.179 20 0 FGADRP Cc1ccc([C@H](CNC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)[NH+]2CCCC2)o1 ZINC000177709662 496167129 /nfs/dbraw/zinc/16/71/29/496167129.db2.gz YMZNQZVTUPHHRH-ICSRJNTNSA-N 2 0 373.541 3.496 20 0 FGADRP C[C@H](CC(=O)Nc1cccnc1Cl)[NH2+]CC1(C[NH+](C)C)CCCC1 ZINC000183950211 496173397 /nfs/dbraw/zinc/17/33/97/496173397.db2.gz UDRJNIFFCMCAFZ-CQSZACIVSA-N 2 0 352.910 3.164 20 0 FGADRP CCC[N@H+](C)C[C@H]1CCN(CC(=O)N(Cc2ccccc2)C(C)(C)C)C1 ZINC000174969305 496186569 /nfs/dbraw/zinc/18/65/69/496186569.db2.gz KLMASYQMQJVORT-HXUWFJFHSA-N 2 0 359.558 3.477 20 0 FGADRP Cc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)[C@H](C)C2 ZINC000180907245 496194301 /nfs/dbraw/zinc/19/43/01/496194301.db2.gz DETPXWLWRCIBSV-VGSWGCGISA-N 2 0 365.521 3.310 20 0 FGADRP CCCOc1ccc([C@@H](C)[NH2+]Cc2cccnc2N2CC[NH+](C)CC2)cc1 ZINC000177809092 496205206 /nfs/dbraw/zinc/20/52/06/496205206.db2.gz ARTRWCMOXCYKHY-GOSISDBHSA-N 2 0 368.525 3.473 20 0 FGADRP C[C@@H]1CCc2c(F)cccc2[C@@H]1[NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000177825711 496211688 /nfs/dbraw/zinc/21/16/88/496211688.db2.gz BMGPGBGFZFZVLW-OPAMFIHVSA-N 2 0 368.500 3.386 20 0 FGADRP CC(C)C[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)c1ccccn1 ZINC000177825771 496213239 /nfs/dbraw/zinc/21/32/39/496213239.db2.gz MJSGHGOVPSLOEH-HXUWFJFHSA-N 2 0 353.514 3.105 20 0 FGADRP CC[NH+](CC)[C@@H]1CCN(C(=O)NC2CCC([NH+]3CCC(C)CC3)CC2)C1 ZINC000152722215 496237356 /nfs/dbraw/zinc/23/73/56/496237356.db2.gz VIXIQBWIYBFBTD-SOAGJPPSSA-N 2 0 364.578 3.155 20 0 FGADRP C[N@H+](Cc1ccccc1)CC(C)(C)NC(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000156436695 496245895 /nfs/dbraw/zinc/24/58/95/496245895.db2.gz XMMKTCPVIQDLHZ-UHFFFAOYSA-N 2 0 374.573 3.459 20 0 FGADRP O=C(CCC1CC[NH2+]CC1)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000574689507 505832491 /nfs/dbraw/zinc/83/24/91/505832491.db2.gz KBHWABLHBSJDLN-YADHBBJMSA-N 2 0 369.553 3.279 20 0 FGADRP CC1CC[NH+](CCCCNC(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)CC1 ZINC000156459387 496251329 /nfs/dbraw/zinc/25/13/29/496251329.db2.gz CUKROSONFKXXII-HXUWFJFHSA-N 2 0 364.578 3.158 20 0 FGADRP [NH3+]CC1(CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)CCCCC1 ZINC000184230498 496295775 /nfs/dbraw/zinc/29/57/75/496295775.db2.gz SXHUREMMMZXBSL-UHFFFAOYSA-N 2 0 361.555 3.473 20 0 FGADRP COc1ccc(OC)c([C@H](C)[NH2+]CCCC[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC000178034145 496298115 /nfs/dbraw/zinc/29/81/15/496298115.db2.gz OXAHTTPRAWSVII-ZACQAIPSSA-N 2 0 350.503 3.244 20 0 FGADRP C[NH+](C)CCn1ccc2ccc(NC(=O)CC3(C[NH3+])CCCCC3)cc21 ZINC000184240231 496299888 /nfs/dbraw/zinc/29/98/88/496299888.db2.gz GOBMDFBOLCLJHO-UHFFFAOYSA-N 2 0 356.514 3.441 20 0 FGADRP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]CC[C@H]2CCCCO2)CC1 ZINC000181255212 496329464 /nfs/dbraw/zinc/32/94/64/496329464.db2.gz QKHMOIHGHUJNNU-MRXNPFEDSA-N 2 0 351.922 3.141 20 0 FGADRP CCC[NH+]1CCN(c2ccccc2C[NH2+][C@@H]2CCO[C@@H](C3CC3)C2)CC1 ZINC000156849167 496348258 /nfs/dbraw/zinc/34/82/58/496348258.db2.gz UZNIANJRZBINJG-IFMALSPDSA-N 2 0 357.542 3.266 20 0 FGADRP C[C@@H]([NH2+]Cc1ccc2c(c1)OCCO2)c1cccc(OCC[NH+](C)C)c1 ZINC000178209355 496371726 /nfs/dbraw/zinc/37/17/26/496371726.db2.gz GBMLZBKRHWPFLC-MRXNPFEDSA-N 2 0 356.466 3.249 20 0 FGADRP CC[NH+]1CCN(c2cccc(NC(=O)[C@H](C)[NH+]3[C@@H](C)CC[C@@H]3C)c2)CC1 ZINC000184508870 496416631 /nfs/dbraw/zinc/41/66/31/496416631.db2.gz JUSYTSMOPFCOCC-BZSNNMDCSA-N 2 0 358.530 3.028 20 0 FGADRP CC(C)C[C@@H](CNC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1)[NH+](C)C ZINC000153361937 496431448 /nfs/dbraw/zinc/43/14/48/496431448.db2.gz QMPXAFACWWCYGF-FQEVSTJZSA-N 2 0 359.558 3.381 20 0 FGADRP CC[NH+](CC)[C@@H](C(=O)NC[C@H]([NH3+])C(C)C)c1cccc(C(F)(F)F)c1 ZINC000157332605 496456507 /nfs/dbraw/zinc/45/65/07/496456507.db2.gz YHBFTQFETCEHAJ-JKSUJKDBSA-N 2 0 359.436 3.188 20 0 FGADRP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N(C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000187479044 496458538 /nfs/dbraw/zinc/45/85/38/496458538.db2.gz SKEMTKJDIKWQNS-TYPHKJRUSA-N 2 0 374.573 3.267 20 0 FGADRP C[C@@H]1CCC[C@@](CNC(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)([NH+](C)C)C1 ZINC000157363729 496463305 /nfs/dbraw/zinc/46/33/05/496463305.db2.gz VSIVZWULTLMEGU-SVFBPWRDSA-N 2 0 364.578 3.157 20 0 FGADRP CCC[NH+]1CCN(c2ccccc2CNc2cc(C[NH+](C)C)ccn2)CC1 ZINC000157456448 496480625 /nfs/dbraw/zinc/48/06/25/496480625.db2.gz YLISFSFAMODZJY-UHFFFAOYSA-N 2 0 367.541 3.287 20 0 FGADRP C[C@H]1CCC[N@H+](CCNC(=O)N(Cc2ccccc2)C2CC[NH+](C)CC2)C1 ZINC000175782604 496543719 /nfs/dbraw/zinc/54/37/19/496543719.db2.gz DSMWSFNFOOLEBH-IBGZPJMESA-N 2 0 372.557 3.024 20 0 FGADRP CCCC[NH+]1CCC([NH2+][C@H](C)CC(=O)Nc2cccnc2Cl)CC1 ZINC000164440037 496611907 /nfs/dbraw/zinc/61/19/07/496611907.db2.gz FXHQDRZXOHZEKE-CQSZACIVSA-N 2 0 352.910 3.306 20 0 FGADRP Cc1cccc(C[NH+]2CCC(NC(=O)[C@H](C)[C@H]([NH3+])c3ccccc3)CC2)c1 ZINC000164543958 496617574 /nfs/dbraw/zinc/61/75/74/496617574.db2.gz UQQWEMIAPCWMOI-GCJKJVERSA-N 2 0 365.521 3.412 20 0 FGADRP COc1ccc([C@@H](C)[NH2+]Cc2ccccc2CN2CCOCC2)cc1OC ZINC000173299854 496631872 /nfs/dbraw/zinc/63/18/72/496631872.db2.gz WMRXOGSAHZIBPF-QGZVFWFLSA-N 2 0 370.493 3.387 20 0 FGADRP Brc1ccc(C2([NH2+]CC3CC[NH2+]CC3)CCOCC2)cc1 ZINC000178977489 496634649 /nfs/dbraw/zinc/63/46/49/496634649.db2.gz DADKWILDZJPOOB-UHFFFAOYSA-N 2 0 353.304 3.044 20 0 FGADRP C[C@H]([NH2+]CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)c1ccc(Cl)cc1 ZINC000182012758 496634767 /nfs/dbraw/zinc/63/47/67/496634767.db2.gz CGMYYNMEJXOWIG-HNAYVOBHSA-N 2 0 359.901 3.410 20 0 FGADRP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)NCC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000175997287 496636479 /nfs/dbraw/zinc/63/64/79/496636479.db2.gz WSEXSKGMTQHRIZ-LEWJYISDSA-N 2 0 372.557 3.071 20 0 FGADRP C[NH+]1CCN(c2ccc(C(F)(F)F)cc2C[NH2+][C@H]2CCSC2)CC1 ZINC000165580321 496662417 /nfs/dbraw/zinc/66/24/17/496662417.db2.gz JXSJCPHZTXGTFX-HNNXBMFYSA-N 2 0 359.461 3.052 20 0 FGADRP CCC[N@H+](CC)C[C@@H](C)NC(=O)NC[C@H](c1ccc(C)o1)[NH+]1CCCC1 ZINC000574804639 505858746 /nfs/dbraw/zinc/85/87/46/505858746.db2.gz OAFMIFLAJVIZFV-SJLPKXTDSA-N 2 0 364.534 3.145 20 0 FGADRP CCO[C@@H]1C[C@]([NH3+])(C(=O)Nc2cccc(C[NH+]3CCCCC3)c2)C1(C)C ZINC000188080429 496675004 /nfs/dbraw/zinc/67/50/04/496675004.db2.gz MVPFFMJOPXBEHF-NQIIRXRSSA-N 2 0 359.514 3.144 20 0 FGADRP COc1cc2[nH]c(CCC[NH2+][C@H]3C[C@H](C)[N@H+](C)C[C@H]3C)cc2c(OC)c1 ZINC000166342959 496684635 /nfs/dbraw/zinc/68/46/35/496684635.db2.gz PRQKYXAOBLFQNG-VCBZYWHSSA-N 2 0 359.514 3.436 20 0 FGADRP [NH3+][C@@H]1CCO[C@H](C2CC[NH+](CCCOc3ccc(Cl)cc3)CC2)C1 ZINC000580883938 505860723 /nfs/dbraw/zinc/86/07/23/505860723.db2.gz KPCDUIRUEOFKCF-MJGOQNOKSA-N 2 0 352.906 3.327 20 0 FGADRP COc1ccc([C@H](C)[C@@H](C)[NH2+]Cc2cccnc2N2CC[NH+](C)CC2)cc1 ZINC000158495798 496713120 /nfs/dbraw/zinc/71/31/20/496713120.db2.gz RHHVNYVFDFTZNW-QZTJIDSGSA-N 2 0 368.525 3.124 20 0 FGADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N1CCC[C@H]2C[NH+](C)CC[C@@H]21 ZINC000182305432 496728793 /nfs/dbraw/zinc/72/87/93/496728793.db2.gz ZZYNDSFGLMSRKI-SFTDATJTSA-N 2 0 372.557 3.153 20 0 FGADRP C[C@@H](C[NH2+][C@H]1C[C@@H](C)c2c1cccc2Br)N1CC[NH+](C)CC1 ZINC000246948186 496732213 /nfs/dbraw/zinc/73/22/13/496732213.db2.gz IBYBLTGNGYKMKO-KEYYUXOJSA-N 2 0 366.347 3.223 20 0 FGADRP C[C@@H]1CCC[C@](CN[C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)([NH+](C)C)C1 ZINC000246963616 496737063 /nfs/dbraw/zinc/73/70/63/496737063.db2.gz ISYUDJDHXJYBNZ-WAGURGNTSA-N 3 0 358.574 3.392 20 0 FGADRP C[N@H+](C[C@@H](O)COc1c(Cl)cccc1Cl)C[C@@H]1CCC[NH+](C)C1 ZINC000247026659 496756354 /nfs/dbraw/zinc/75/63/54/496756354.db2.gz QZEIAVZXWDWHOD-ZIAGYGMSSA-N 2 0 361.313 3.007 20 0 FGADRP C[C@@H](NCCC[NH+]1CCCCC1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000268710892 496763882 /nfs/dbraw/zinc/76/38/82/496763882.db2.gz DPBVGQFUWSSRLW-CQSZACIVSA-N 2 0 360.470 3.210 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC000247094951 496777723 /nfs/dbraw/zinc/77/77/23/496777723.db2.gz QAENTNUNZIWAGP-FYQPLNBISA-N 2 0 364.578 3.155 20 0 FGADRP CC[S@](=O)[C@@H]1CCC[C@@H]([NH2+][C@H](C)c2ccc(OCC[NH+](C)C)cc2)C1 ZINC000247100483 496778932 /nfs/dbraw/zinc/77/89/32/496778932.db2.gz OOPWEFKEQGJZKG-XYMVCZMASA-N 2 0 366.571 3.357 20 0 FGADRP C[C@H]1[NH2+]CC[C@@H]1C(=O)N(CCC[NH+](C)C)Cc1ccc(Cl)c(Cl)c1 ZINC000571996604 505865824 /nfs/dbraw/zinc/86/58/24/505865824.db2.gz NDYBMCVGHRWLML-HIFRSBDPSA-N 2 0 372.340 3.272 20 0 FGADRP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc(OCCOC)c(OC)c2)C1 ZINC000268822935 496795665 /nfs/dbraw/zinc/79/56/65/496795665.db2.gz IAROOUYYSWSNIM-IRXDYDNUSA-N 2 0 350.503 3.103 20 0 FGADRP CC(C)N(C)c1ccc(C[NH2+]CC2CCN(c3cc[nH+]cc3)CC2)cn1 ZINC000191547619 496806107 /nfs/dbraw/zinc/80/61/07/496806107.db2.gz ZNFOWLGXXXCIHC-UHFFFAOYSA-N 2 0 353.514 3.327 20 0 FGADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CCC[C@H](c3nc4ccccc4o3)C2)CC1 ZINC000191562041 496813187 /nfs/dbraw/zinc/81/31/87/496813187.db2.gz SXYDZVJUWZQJNI-IBGZPJMESA-N 2 0 370.541 3.423 20 0 FGADRP CC[NH+]1CCC(CC[NH2+][C@H](C)c2ccc(S(=O)(=O)C(F)F)cc2)CC1 ZINC000268883094 496813540 /nfs/dbraw/zinc/81/35/40/496813540.db2.gz KPJDCWZNRBZILM-CQSZACIVSA-N 2 0 374.497 3.456 20 0 FGADRP COc1ccc(NC(=O)CC[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)cc1Cl ZINC000268893101 496815768 /nfs/dbraw/zinc/81/57/68/496815768.db2.gz MBBPNXJSVCVSKW-RHSMWYFYSA-N 2 0 365.905 3.093 20 0 FGADRP C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000269111489 496873226 /nfs/dbraw/zinc/87/32/26/496873226.db2.gz IYKUHFKQBFOMIB-SFTDATJTSA-N 2 0 355.526 3.229 20 0 FGADRP Cc1cccc(OC[C@H](O)C[N@@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)c1 ZINC000247535345 496881607 /nfs/dbraw/zinc/88/16/07/496881607.db2.gz OPBIWDFXXUNCRQ-FGZHOGPDSA-N 2 0 368.521 3.189 20 0 FGADRP CCc1ccc([C@@H](C)NCc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)o1 ZINC000247944328 496930066 /nfs/dbraw/zinc/93/00/66/496930066.db2.gz DIAYOJOJEGRFMR-VQIMIIECSA-N 2 0 369.509 3.390 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2ccc([S@@](C)=O)cc2)[C@H](C)C1 ZINC000248120100 496956582 /nfs/dbraw/zinc/95/65/82/496956582.db2.gz NGAIEBOSQKBQRO-PAVKVFCFSA-N 2 0 366.571 3.212 20 0 FGADRP C[N@@H+]1CCC[C@H]2C[NH+](CCOc3ccc(OC(F)(F)F)cc3)CC[C@H]21 ZINC000248150308 496964662 /nfs/dbraw/zinc/96/46/62/496964662.db2.gz QSIKDCPIKALGNN-WMLDXEAASA-N 2 0 358.404 3.380 20 0 FGADRP CC[NH+](CC)CCOc1ccc(C[NH2+]Cc2cnn(C(C)C)c2)cc1OC ZINC000264808652 496989039 /nfs/dbraw/zinc/98/90/39/496989039.db2.gz AQPYQCFYWMYANK-UHFFFAOYSA-N 2 0 374.529 3.483 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@H](C)[C@@H]2CCC[NH+](C3CCC3)C2)[C@@H](C)C1 ZINC000248400458 496997335 /nfs/dbraw/zinc/99/73/35/496997335.db2.gz KUIQZUSEHQDCFX-XFKSJGNHSA-N 2 0 364.578 3.011 20 0 FGADRP c1cc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)cc(OC2CCOCC2)n1 ZINC000574910996 505882118 /nfs/dbraw/zinc/88/21/18/505882118.db2.gz KNVUNWKUCIMRFP-XUVXKRRUSA-N 2 0 359.514 3.040 20 0 FGADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC000274640277 497136419 /nfs/dbraw/zinc/13/64/19/497136419.db2.gz RCRALCQRILLGKA-CVEARBPZSA-N 2 0 357.464 3.252 20 0 FGADRP C[C@]([NH3+])(C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccccc1 ZINC000192532981 497142403 /nfs/dbraw/zinc/14/24/03/497142403.db2.gz LIZVGAPWMYOATD-ZYJGPIPZSA-N 2 0 363.505 3.172 20 0 FGADRP [NH3+]C[C@@H](NC(=O)C1(c2ccccc2)CC[NH2+]CC1)c1ccc2ccccc2c1 ZINC000192551365 497146925 /nfs/dbraw/zinc/14/69/25/497146925.db2.gz URWIHYXICGVEJJ-JOCHJYFZSA-N 2 0 373.500 3.277 20 0 FGADRP CN(CC1([NH+](C)C)CCC1)C(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000189519841 497147999 /nfs/dbraw/zinc/14/79/99/497147999.db2.gz YCMCLCDDDGDFMF-UHFFFAOYSA-N 2 0 357.542 3.231 20 0 FGADRP Cc1ccc(NC(=O)N2CCC[C@@H](c3ncc[nH]3)C2)c(OCC[NH+](C)C)c1 ZINC000265734055 497171654 /nfs/dbraw/zinc/17/16/54/497171654.db2.gz TYCAYNFRYZQYTL-MRXNPFEDSA-N 2 0 371.485 3.070 20 0 FGADRP CCc1ccc([C@H](CNC(=O)[C@@H](C)[C@@H]([NH3+])c2ccccc2)[NH+](C)C)cc1 ZINC000236980288 497175215 /nfs/dbraw/zinc/17/52/15/497175215.db2.gz NLGOACRRVNVQOD-ORYQWCPZSA-N 2 0 353.510 3.304 20 0 FGADRP COc1ccc2c(c1)[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)CCCS2 ZINC000249181182 497179151 /nfs/dbraw/zinc/17/91/51/497179151.db2.gz IEBRPLBJDMBGOI-LPHOPBHVSA-N 2 0 364.555 3.449 20 0 FGADRP C[N@@H+]1CCC[C@@H]2C[NH+](CCOc3cc(F)cc(Br)c3)CC[C@H]21 ZINC000249261428 497184721 /nfs/dbraw/zinc/18/47/21/497184721.db2.gz HWSSMOXJIPXPKE-CXAGYDPISA-N 2 0 371.294 3.383 20 0 FGADRP C[C@H]([NH2+][C@@H]1CCC[C@H](C(=O)N(C)C)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274911328 497197302 /nfs/dbraw/zinc/19/73/02/497197302.db2.gz NFQXQIJJGTYZQD-MJUUVYJYSA-N 2 0 357.542 3.134 20 0 FGADRP Cc1nccn1-c1ccc([C@@H](C)[NH2+]CCCN2CC[NH+](C(C)C)CC2)cc1 ZINC000192789731 497215017 /nfs/dbraw/zinc/21/50/17/497215017.db2.gz WAGUJGNMMJRHTG-LJQANCHMSA-N 2 0 369.557 3.247 20 0 FGADRP COc1cccc([C@H](CNC(=O)[C@@H]2CCCCCC[C@@H]2[NH3+])[NH+]2CCCC2)c1 ZINC000237313471 497217925 /nfs/dbraw/zinc/21/79/25/497217925.db2.gz NDJLQLDEPNYAQH-HKBOAZHASA-N 2 0 373.541 3.246 20 0 FGADRP C[C@H]([NH2+][C@H]1CC(=O)N(c2ccccc2)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000574963123 505892201 /nfs/dbraw/zinc/89/22/01/505892201.db2.gz ZXPMNIPBCRAIMU-JBACZVJFSA-N 2 0 363.505 3.292 20 0 FGADRP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(C[NH2+][C@@H]3CCCc4occc43)c2)C1 ZINC000192846413 497229084 /nfs/dbraw/zinc/22/90/84/497229084.db2.gz RIIZVJIKIYXPDJ-UYAOXDASSA-N 2 0 367.493 3.144 20 0 FGADRP C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)C1 ZINC000237523343 497249548 /nfs/dbraw/zinc/24/95/48/497249548.db2.gz HFTUQNFHGPEKJC-KSCDAYEDSA-N 2 0 369.553 3.455 20 0 FGADRP C[C@H](CC(=O)N1CCC(C[N@H+](C)Cc2ccccc2)CC1)C1CC[NH2+]CC1 ZINC000237548136 497253057 /nfs/dbraw/zinc/25/30/57/497253057.db2.gz GRAXTFOPDHNSQV-LJQANCHMSA-N 2 0 371.569 3.383 20 0 FGADRP C[NH+](C)CCN1CCC([NH2+]CC(c2ccccc2)c2ccccc2)CC1 ZINC000192945512 497254284 /nfs/dbraw/zinc/25/42/84/497254284.db2.gz NPXVBPGWTXIRPR-UHFFFAOYSA-N 2 0 351.538 3.434 20 0 FGADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N2CC[C@@H](C[NH+](C)C)C2)cc1 ZINC000275229638 497260701 /nfs/dbraw/zinc/26/07/01/497260701.db2.gz JGEAGJZDMFYEKC-RXVVDRJESA-N 2 0 372.557 3.154 20 0 FGADRP CC(C)[NH+]1CCN(CCC[NH2+][C@H](C[C@@H]2CCOC2)c2ccccc2)CC1 ZINC000193003832 497271400 /nfs/dbraw/zinc/27/14/00/497271400.db2.gz SNFOOXQEXCTZDJ-RBBKRZOGSA-N 2 0 359.558 3.160 20 0 FGADRP CC(C)[NH+]1CCN(C2CC[NH+](Cc3cccc4c3OC(C)(C)C4)CC2)CC1 ZINC000271230436 497297405 /nfs/dbraw/zinc/29/74/05/497297405.db2.gz UGPNZDQABMXSOQ-UHFFFAOYSA-N 2 0 371.569 3.391 20 0 FGADRP C[C@@H](CNC(=O)NCCCC[N@@H+]1CCCC[C@H]1C)[NH+]1CCC[C@@H](C)C1 ZINC000255058658 497356641 /nfs/dbraw/zinc/35/66/41/497356641.db2.gz NTJSLGRUSCUKRW-QRVBRYPASA-N 2 0 352.567 3.061 20 0 FGADRP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)c1cccc(Br)c1 ZINC000271472655 497357498 /nfs/dbraw/zinc/35/74/98/497357498.db2.gz HSPYVHILAKPUOO-MORSLUCNSA-N 2 0 367.331 3.478 20 0 FGADRP O=C(Nc1ccn2ccnc2c1)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000581064180 505901721 /nfs/dbraw/zinc/90/17/21/505901721.db2.gz DUIOFJIXHLUDBD-UHFFFAOYSA-N 2 0 363.465 3.163 20 0 FGADRP COc1ccc2c(c1)[C@@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)CCC2 ZINC000271517364 497370004 /nfs/dbraw/zinc/37/00/04/497370004.db2.gz NYJISQMPRPUUST-FQEVSTJZSA-N 2 0 355.482 3.198 20 0 FGADRP CCC[N@H+](C)C[C@H]1CCN(C[C@@H](O)COc2ccc3ccccc3c2)C1 ZINC000245424079 497398389 /nfs/dbraw/zinc/39/83/89/497398389.db2.gz JWDVMFPHQXSTEY-WIYYLYMNSA-N 2 0 356.510 3.243 20 0 FGADRP C[NH+](C)CCc1ccccc1NC(=O)NCC[N@H+](C)Cc1ccccc1 ZINC000275691599 497404626 /nfs/dbraw/zinc/40/46/26/497404626.db2.gz RLKCOVBAGHBWAJ-UHFFFAOYSA-N 2 0 354.498 3.044 20 0 FGADRP CC[C@]1(CO)CCC[N@H+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)C1 ZINC000190233498 497408790 /nfs/dbraw/zinc/40/87/90/497408790.db2.gz CBOWVZVMJUULMJ-QFIPXVFZSA-N 2 0 359.558 3.202 20 0 FGADRP C[C@@H](CC(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000261608296 497418982 /nfs/dbraw/zinc/41/89/82/497418982.db2.gz RUXOTQHUUKJONV-AZUAARDMSA-N 2 0 357.542 3.135 20 0 FGADRP [NH3+][C@@H]1CN(Cc2cnn(-c3ccc(Cl)cc3)c2)C[C@H]1c1ccccc1 ZINC000261622873 497421677 /nfs/dbraw/zinc/42/16/77/497421677.db2.gz DPTFSJQXHVVXDJ-VQTJNVASSA-N 2 0 352.869 3.452 20 0 FGADRP C[C@@H](C(=O)Nc1ccc(OCc2ccccc2)cc1)N1CC[C@](C)(C[NH3+])C1 ZINC000261636940 497424611 /nfs/dbraw/zinc/42/46/11/497424611.db2.gz FWQBAGMOTMCDDZ-HTAPYJJXSA-N 2 0 367.493 3.263 20 0 FGADRP Cc1ccccc1Cc1nnc(CN2CC[C@@H](C)[C@@H](n3ccnc3)C2)o1 ZINC000245560298 497456921 /nfs/dbraw/zinc/45/69/21/497456921.db2.gz BTDGYRWDGHJMSN-AEFFLSMTSA-N 2 0 351.454 3.248 20 0 FGADRP C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000190426776 497475089 /nfs/dbraw/zinc/47/50/89/497475089.db2.gz QAOZMJFWGJJUHZ-RTWAWAEBSA-N 2 0 369.553 3.231 20 0 FGADRP C[NH2+]CCC1CC[NH+]([C@@H](C)C(=O)N[C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000261977582 497485856 /nfs/dbraw/zinc/48/58/56/497485856.db2.gz GQEOVIPNVFZDNA-GJZGRUSLSA-N 2 0 351.922 3.227 20 0 FGADRP CC(C)(C)N1C[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1=O ZINC000245681762 497499505 /nfs/dbraw/zinc/49/95/05/497499505.db2.gz JAPXEFKGTJDIBG-LWYYNNOASA-N 2 0 355.526 3.171 20 0 FGADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000245680732 497499776 /nfs/dbraw/zinc/49/97/76/497499776.db2.gz IUFROUYUABRAKG-CIAFKFPVSA-N 3 0 359.558 3.128 20 0 FGADRP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccc(-c2ccccc2)s1 ZINC000262065976 497502589 /nfs/dbraw/zinc/50/25/89/497502589.db2.gz ROWDPTAGLPGSFI-KRWDZBQOSA-N 2 0 357.523 3.235 20 0 FGADRP C[NH+](C)[C@H](CNC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1)c1ccccc1 ZINC000245693044 497504151 /nfs/dbraw/zinc/50/41/51/497504151.db2.gz XQOYADFHOWSZLY-NJDAHSKKSA-N 2 0 366.509 3.034 20 0 FGADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000193917810 497519206 /nfs/dbraw/zinc/51/92/06/497519206.db2.gz VPVOMVYZVIMQRR-HZPDHXFCSA-N 2 0 363.933 3.293 20 0 FGADRP O[C@@H]1CC[N@H+](Cc2ccccc2C[NH2+]CCSCc2ccccc2)C1 ZINC000193917942 497519447 /nfs/dbraw/zinc/51/94/47/497519447.db2.gz WQNDTPRRPUPKOL-OAQYLSRUSA-N 2 0 356.535 3.276 20 0 FGADRP O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)C1CC[NH+](C2CC2)CC1 ZINC000193931304 497524444 /nfs/dbraw/zinc/52/44/44/497524444.db2.gz CHVXMQAVVRZITN-UHFFFAOYSA-N 2 0 355.526 3.163 20 0 FGADRP CC(C)[C@@H](C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)N1CCOCC1 ZINC000245759908 497530959 /nfs/dbraw/zinc/53/09/59/497530959.db2.gz VKQQDVNHMYMNAX-KAOXLYBCSA-N 2 0 371.569 3.128 20 0 FGADRP COc1ccc([C@H]([NH2+]CC2(O)CC[NH+](C)CC2)c2ccccc2Cl)cc1 ZINC000272252805 497577781 /nfs/dbraw/zinc/57/77/81/497577781.db2.gz CFWZCPXEYVNMNM-FQEVSTJZSA-N 2 0 374.912 3.484 20 0 FGADRP CC[NH+]1CCN([C@@H]2CC[N@@H+]([C@H](C)c3ccc(C(F)(F)F)cc3)C2)CC1 ZINC000245941385 497579924 /nfs/dbraw/zinc/57/99/24/497579924.db2.gz VDAKJPOWLBTDIF-CRAIPNDOSA-N 2 0 355.448 3.478 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](C[C@@H](O)COCc2ccco2)CC1 ZINC000245983806 497589700 /nfs/dbraw/zinc/58/97/00/497589700.db2.gz HGQZOIDVSCZPMR-UYAOXDASSA-N 2 0 364.530 3.134 20 0 FGADRP CCc1ccc([C@H](CNC(=O)[C@H](C)[C@H]([NH3+])c2ccccc2)[NH+](C)C)cc1 ZINC000262645659 497590630 /nfs/dbraw/zinc/59/06/30/497590630.db2.gz NLGOACRRVNVQOD-CZAAIQMYSA-N 2 0 353.510 3.304 20 0 FGADRP C[C@H](CC(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1)C1CC[NH2+]CC1 ZINC000262659763 497594366 /nfs/dbraw/zinc/59/43/66/497594366.db2.gz NJWPZSOZPLNYFJ-GOSISDBHSA-N 2 0 357.542 3.135 20 0 FGADRP Cc1ccc([C@H]([NH3+])C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000262670709 497595270 /nfs/dbraw/zinc/59/52/70/497595270.db2.gz RKPUTHRXXICXGV-QMMLZNLJSA-N 2 0 351.494 3.164 20 0 FGADRP CCC[C@](C)([NH3+])C(=O)NC[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000262696628 497602158 /nfs/dbraw/zinc/60/21/58/497602158.db2.gz DXRLLCVPIVMFQC-XCRHUMRWSA-N 2 0 355.885 3.106 20 0 FGADRP CC[NH+]1CCN(Cc2ccc(C[NH2+]Cc3ccc(C)c(OC)c3)cc2)CC1 ZINC000194216530 497604440 /nfs/dbraw/zinc/60/44/40/497604440.db2.gz SQQXBSVWLCMYMV-UHFFFAOYSA-N 2 0 367.537 3.431 20 0 FGADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1ccccc1C[NH+](C)C ZINC000581132701 505917370 /nfs/dbraw/zinc/91/73/70/505917370.db2.gz MMNKSXQFBSXUPF-AVRDEDQJSA-N 2 0 365.521 3.389 20 0 FGADRP C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)[C@@](C)([NH3+])c2ccccc2)C1 ZINC000262870861 497643664 /nfs/dbraw/zinc/64/36/64/497643664.db2.gz MHQWAUSXDJMSLW-MBSDFSHPSA-N 2 0 365.521 3.409 20 0 FGADRP C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@@H]1C)[N@@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000246171968 497646934 /nfs/dbraw/zinc/64/69/34/497646934.db2.gz SKZWOZGCWLFELN-BCYZHJNNSA-N 2 0 358.530 3.145 20 0 FGADRP C[C@H](NC(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000272565366 497663583 /nfs/dbraw/zinc/66/35/83/497663583.db2.gz SNNPKMUFTSHWDT-FMWKFLBASA-N 2 0 372.557 3.021 20 0 FGADRP C[C@@H](CC(=O)Nc1cccnc1Cl)[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC000276891603 497680360 /nfs/dbraw/zinc/68/03/60/497680360.db2.gz MEUBTQBPMMUBDO-AWEZNQCLSA-N 2 0 352.910 3.164 20 0 FGADRP C[C@H](C(=O)N[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)[C@@H]([NH3+])c1ccccc1 ZINC000246274737 497681306 /nfs/dbraw/zinc/68/13/06/497681306.db2.gz MBAHSFQCLCPHHY-HRQSHJORSA-N 2 0 351.494 3.102 20 0 FGADRP CCOc1ccc([C@H](C)NC(=O)CCC[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000246304270 497690385 /nfs/dbraw/zinc/69/03/85/497690385.db2.gz DIIFDLLYJHIVGN-JENIJYKNSA-N 2 0 361.530 3.115 20 0 FGADRP C[NH+](C)Cc1cccc(C(=O)Nc2cc(C[NH3+])cc(C(F)(F)F)c2)c1 ZINC000263058695 497694654 /nfs/dbraw/zinc/69/46/54/497694654.db2.gz XXCOLTWJARJDGU-UHFFFAOYSA-N 2 0 351.372 3.478 20 0 FGADRP CC[NH+](CC)CCOc1ccc(NC(=O)N[C@H](C)C2=CC[N@H+](C)CC2)cc1 ZINC000272743656 497718443 /nfs/dbraw/zinc/71/84/43/497718443.db2.gz RJZKFLZVCQCJST-QGZVFWFLSA-N 2 0 374.529 3.179 20 0 FGADRP Cc1c([C@@H](C)[NH2+]CCN2CC[NH+](Cc3ccccc3)CC2)cnn1C(C)C ZINC000191127614 497718945 /nfs/dbraw/zinc/71/89/45/497718945.db2.gz NQPTXTMHQXUNFN-LJQANCHMSA-N 2 0 369.557 3.241 20 0 FGADRP C[C@H]1COCCN1C1CC[NH+](Cc2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC000572254405 505926517 /nfs/dbraw/zinc/92/65/17/505926517.db2.gz NQKMICOOKSFTDI-FQEVSTJZSA-N 2 0 371.569 3.358 20 0 FGADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H](CO)Cc2ccc(OC(F)(F)F)cc2)[C@@H](C)C1 ZINC000246505064 497755621 /nfs/dbraw/zinc/75/56/21/497755621.db2.gz STVPRECLRXBPJN-ZVZYQTTQSA-N 2 0 374.447 3.056 20 0 FGADRP C[NH+](C)Cc1cccc(C(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000194746700 497757427 /nfs/dbraw/zinc/75/74/27/497757427.db2.gz HPGAEHUCSJQMEI-FQEVSTJZSA-N 2 0 351.494 3.000 20 0 FGADRP CC(C)N(CC[NH+](C)C)C(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000246516134 497759782 /nfs/dbraw/zinc/75/97/82/497759782.db2.gz INPMOQRTFKZCEW-SJLPKXTDSA-N 2 0 366.575 3.113 20 0 FGADRP COc1cc(C)c([C@@H](C)[NH2+]Cc2ccnc(N3CC[NH+](C)CC3)c2)cc1C ZINC000273167320 497806180 /nfs/dbraw/zinc/80/61/80/497806180.db2.gz LSDHVFRVVWKQFW-GOSISDBHSA-N 2 0 368.525 3.310 20 0 FGADRP CC[C@@H](C)[N@H+](C)CCNC(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000246791794 497811124 /nfs/dbraw/zinc/81/11/24/497811124.db2.gz AMEHTUXWNLMLSR-QZTJIDSGSA-N 2 0 360.546 3.242 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2C[C@@H](OCC)C23CCCC3)[C@@H](C)C1 ZINC000246822010 497813696 /nfs/dbraw/zinc/81/36/96/497813696.db2.gz ARDJYAKCLWLVQE-VNTMZGSJSA-N 2 0 352.563 3.451 20 0 FGADRP C[C@H](OC[C@@H](O)C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1)c1ccc(Cl)cc1 ZINC000246870868 497818024 /nfs/dbraw/zinc/81/80/24/497818024.db2.gz JNNJXSVBLAIKHN-ZWOKBUDYSA-N 2 0 366.933 3.196 20 0 FGADRP C[C@@H]([NH2+]CCCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000246891053 497818937 /nfs/dbraw/zinc/81/89/37/497818937.db2.gz FKLDNRZFWAAQOM-FGTMMUONSA-N 2 0 366.571 3.499 20 0 FGADRP Cc1cccc(C)c1NC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000299492139 497823206 /nfs/dbraw/zinc/82/32/06/497823206.db2.gz JTVGDPDRTDZZLY-UHFFFAOYSA-N 2 0 367.497 3.032 20 0 FGADRP Cc1nc2ccccc2n1CCC[NH2+]Cc1cnnn1Cc1ccccc1 ZINC000291998300 497833327 /nfs/dbraw/zinc/83/33/27/497833327.db2.gz UPMLAYXHGBMRCP-UHFFFAOYSA-N 2 0 360.465 3.164 20 0 FGADRP c1nnc([C@@H]([NH2+]CC2CCN(c3cc[nH+]cc3)CC2)C2CCCCC2)[nH]1 ZINC000292110948 497881921 /nfs/dbraw/zinc/88/19/21/497881921.db2.gz KEPGJYKTSDQAPK-IBGZPJMESA-N 2 0 354.502 3.327 20 0 FGADRP CC(CC[NH2+][C@@H](CO)c1ccccc1)CC[NH2+][C@@H](CO)c1ccccc1 ZINC000299731855 497911950 /nfs/dbraw/zinc/91/19/50/497911950.db2.gz XKMHLBBZFUTWTK-VXKWHMMOSA-N 2 0 356.510 3.049 20 0 FGADRP CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)c1ccc2c[nH+]cn2c1 ZINC000285294528 498044698 /nfs/dbraw/zinc/04/46/98/498044698.db2.gz OFEIGLKZZCMTJO-UHFFFAOYSA-N 2 0 356.392 3.071 20 0 FGADRP COc1ccc(C[N@@H+]2CCCN(C(=O)[C@@H]3CCCCCC[C@H]3[NH3+])CC2)cc1 ZINC000575397729 505971449 /nfs/dbraw/zinc/97/14/49/505971449.db2.gz DXZATCVXQXDIGF-NHCUHLMSSA-N 2 0 373.541 3.027 20 0 FGADRP CC(C)O[C@@H](CN1CCN(C[C@H]2CCCC[N@@H+]2C)CC1)c1ccccc1 ZINC000292551745 498057453 /nfs/dbraw/zinc/05/74/53/498057453.db2.gz QXKUVTCCKQSCGR-YADHBBJMSA-N 2 0 359.558 3.255 20 0 FGADRP C[NH+](C)CCc1ccc(C(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)cc1 ZINC000581387009 505976661 /nfs/dbraw/zinc/97/66/61/505976661.db2.gz ZAAOJZUXBRTFOQ-QFIPXVFZSA-N 2 0 365.521 3.185 20 0 FGADRP CCN(CC)[C@@H](c1nc([C@@H]2CN(C(C)C)CCO2)no1)c1ccccc1 ZINC000285461627 498093818 /nfs/dbraw/zinc/09/38/18/498093818.db2.gz QSHWMNSLPLANLY-ZWKOTPCHSA-N 2 0 358.486 3.283 20 0 FGADRP C[C@H](CNC(=O)NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)[NH+](C)C1CC1 ZINC000581402591 505979623 /nfs/dbraw/zinc/97/96/23/505979623.db2.gz STLLFUHZWYBZKK-QUCCMNQESA-N 2 0 372.557 3.071 20 0 FGADRP C[N@@H+]1CCC[C@H](CC[NH2+]C[C@@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000578619159 505982850 /nfs/dbraw/zinc/98/28/50/505982850.db2.gz BZQVKNOJIXLCQL-ZIAGYGMSSA-N 2 0 361.313 3.055 20 0 FGADRP CC(C)C[NH+]1CCC([NH2+]C[C@@H](O)CO[C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000578640477 505987603 /nfs/dbraw/zinc/98/76/03/505987603.db2.gz XYWRJBAMUGBQBT-OXJNMPFZSA-N 2 0 368.949 3.489 20 0 FGADRP C[N@@H+]1CCC[C@H](CNC(=O)CC2CC[NH2+]CC2)[C@@H]1c1cccc(Cl)c1 ZINC000364852389 498174772 /nfs/dbraw/zinc/17/47/72/498174772.db2.gz UAIGUFKZJLPGLI-XLIONFOSSA-N 2 0 363.933 3.229 20 0 FGADRP CC[C@@H](C(=O)NC[C@@H]1CCC[NH+](CC(C)C)C1)[N@H+](C)Cc1ccccc1 ZINC000572534515 505991797 /nfs/dbraw/zinc/99/17/97/505991797.db2.gz GSUCLYBMVHFHJK-SFTDATJTSA-N 2 0 359.558 3.381 20 0 FGADRP CCC[N@H+](CCC(=O)Nc1ccccc1Br)C1CC[NH2+]CC1 ZINC000575748482 505996084 /nfs/dbraw/zinc/99/60/84/505996084.db2.gz FDQQRODSKNASGB-UHFFFAOYSA-N 2 0 368.319 3.242 20 0 FGADRP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]C[C@H](O)COc2cc(Cl)ccc2Cl)C1 ZINC000581484138 505998840 /nfs/dbraw/zinc/99/88/40/505998840.db2.gz VFTTXXHOMKPAMC-ZNMIVQPWSA-N 2 0 361.313 3.196 20 0 FGADRP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]C[C@@H](O)COc2cc(Cl)ccc2Cl)C1 ZINC000581484137 505998863 /nfs/dbraw/zinc/99/88/63/505998863.db2.gz VFTTXXHOMKPAMC-RRFJBIMHSA-N 2 0 361.313 3.196 20 0 FGADRP Cc1cc(N[C@@H]2C[N@H+](Cc3ccccc3)CC[C@H]2CO)nc(C(C)C)n1 ZINC000301723155 498238828 /nfs/dbraw/zinc/23/88/28/498238828.db2.gz OBCLJPPGBZYGDR-RBUKOAKNSA-N 2 0 354.498 3.203 20 0 FGADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](CCC(=O)Nc3cccc(C(F)(F)F)c3)C[C@H]21 ZINC000575803051 506008502 /nfs/dbraw/zinc/00/85/02/506008502.db2.gz ATPFVVFNCJADCX-APHBMKBZSA-N 2 0 355.404 3.093 20 0 FGADRP C[C@@H]1C[C@H](CC[NH2+]C[C@H](O)COc2ccccc2)C[N@@H+]1Cc1ccccc1 ZINC000572594894 506006383 /nfs/dbraw/zinc/00/63/83/506006383.db2.gz ISFDZAKIFZDANY-HJNYFJLDSA-N 2 0 368.521 3.317 20 0 FGADRP Cc1ccncc1CCC[NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1 ZINC000289957692 498370282 /nfs/dbraw/zinc/37/02/82/498370282.db2.gz BBSDVSSTFZCRCE-UHFFFAOYSA-N 2 0 353.510 3.069 20 0 FGADRP COc1ccc(C[NH+]2CCC(C[NH2+][C@H](C)c3cc(C)n(C)n3)CC2)cc1 ZINC000282067754 498378311 /nfs/dbraw/zinc/37/83/11/498378311.db2.gz GZOGUAMPYCCWGG-QGZVFWFLSA-N 2 0 356.514 3.300 20 0 FGADRP C[C@H](NC(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1)[C@H]1CCC[NH2+]C1 ZINC000581596980 506024122 /nfs/dbraw/zinc/02/41/22/506024122.db2.gz RJQJTUNFRGRVSV-QYZOEREBSA-N 2 0 372.557 3.106 20 0 FGADRP Cc1cc(-n2ccnc2)ccc1C[NH2+][C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@@H]1C ZINC000365273124 498382188 /nfs/dbraw/zinc/38/21/88/498382188.db2.gz YSPTUYOPCINNJR-VLCRHTCISA-N 2 0 368.525 3.160 20 0 FGADRP COCCC[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)c1ccc(F)cc1 ZINC000282156154 498405193 /nfs/dbraw/zinc/40/51/93/498405193.db2.gz DBQYATSLJYHJPL-DYESRHJHSA-N 2 0 364.505 3.384 20 0 FGADRP C[C@@H](CC(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)C1CC[NH2+]CC1 ZINC000361730577 498422856 /nfs/dbraw/zinc/42/28/56/498422856.db2.gz YMYJKHVFOZLKNP-ICSRJNTNSA-N 2 0 357.542 3.041 20 0 FGADRP COc1ccc2c(c1F)CC[C@H]2[NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000290192125 498458749 /nfs/dbraw/zinc/45/87/49/498458749.db2.gz FZKXOLVUANPPJE-FXAWDEMLSA-N 2 0 370.468 3.178 20 0 FGADRP CC[N@H+](Cc1ccc(C(=O)Nc2cnc3c(c2)C[C@@H]([NH3+])CC3)cc1)C1CC1 ZINC000581669225 506040844 /nfs/dbraw/zinc/04/08/44/506040844.db2.gz JQFOQPCPURZMOF-SFHVURJKSA-N 2 0 364.493 3.134 20 0 FGADRP Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)[N@H+](C)CCN1CC[NH2+]CC1 ZINC000578895409 506046480 /nfs/dbraw/zinc/04/64/80/506046480.db2.gz STYQQXZPHHNNFG-KRWDZBQOSA-N 2 0 358.555 3.325 20 0 FGADRP CC[NH+](CC)Cc1ccc(C(=O)N2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@H]3C2)cc1 ZINC000365538550 498521538 /nfs/dbraw/zinc/52/15/38/498521538.db2.gz NEHRDZARCPFWFU-PCCBWWKXSA-N 2 0 355.526 3.085 20 0 FGADRP CCn1ccnc1[C@H](C)[NH2+]CC1CC[NH+](Cc2ccc(OC)cc2)CC1 ZINC000297682742 498535159 /nfs/dbraw/zinc/53/51/59/498535159.db2.gz LNKRUZTXDKOKKB-KRWDZBQOSA-N 2 0 356.514 3.474 20 0 FGADRP Cc1ccc([C@@H](C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)N2CCCC2)o1 ZINC000297702743 498541598 /nfs/dbraw/zinc/54/15/98/498541598.db2.gz QOYWGRABZMSLRM-HXUWFJFHSA-N 2 0 354.498 3.379 20 0 FGADRP Cc1ccc([C@@H](CNC(=O)N[C@H](C)C[N@H+](C)C(C)C)[NH+]2CCCC2)cc1 ZINC000578928009 506053386 /nfs/dbraw/zinc/05/33/86/506053386.db2.gz RRVJNPCIMIEJSM-UYAOXDASSA-N 2 0 360.546 3.160 20 0 FGADRP CN1CC[C@H](Nc2cc(NCC3CC3)ncn2)[C@@H]1c1ccc(F)c(F)c1 ZINC000302816758 498586414 /nfs/dbraw/zinc/58/64/14/498586414.db2.gz ILMVOCMWIVBGGQ-LPHOPBHVSA-N 2 0 359.424 3.434 20 0 FGADRP FC(F)(F)c1ccn([C@@H]2CCC[N@H+](Cc3ccc4c(c3)C[NH2+]CC4)C2)n1 ZINC000576046569 506063563 /nfs/dbraw/zinc/06/35/63/506063563.db2.gz UCGJRCKKKMBVIN-QGZVFWFLSA-N 2 0 364.415 3.385 20 0 FGADRP C[C@H](CNC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1)C[NH+]1CCCCC1 ZINC000303064439 498646770 /nfs/dbraw/zinc/64/67/70/498646770.db2.gz YKNSLHFGPCKUPE-TZIWHRDSSA-N 2 0 357.542 3.137 20 0 FGADRP CCCC[NH+]1CCC(NC(=O)N(C)CCC[N@H+](C)Cc2ccco2)CC1 ZINC000287167992 498657759 /nfs/dbraw/zinc/65/77/59/498657759.db2.gz BZZRZTRWAZQESP-UHFFFAOYSA-N 2 0 364.534 3.007 20 0 FGADRP COc1ccc([C@@H]2[C@H](CNC(=[NH2+])Nc3ccccn3)CCC[N@@H+]2C)cc1 ZINC000363136489 498668362 /nfs/dbraw/zinc/66/83/62/498668362.db2.gz JDNDAWOBSLEOJH-QFBILLFUSA-N 2 0 353.470 3.110 20 0 FGADRP C[NH+](C)C1CCN(c2ccc(NC3CC[NH+](C4CC4)CC3)cc2F)CC1 ZINC000298255079 498711462 /nfs/dbraw/zinc/71/14/62/498711462.db2.gz DXJSOTGFWIWURY-UHFFFAOYSA-N 2 0 360.521 3.395 20 0 FGADRP Cc1cccc(C)c1OC[C@@H](O)C[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000312690827 498760169 /nfs/dbraw/zinc/76/01/69/498760169.db2.gz QJWWSXHKXVYCDD-VXKWHMMOSA-N 2 0 368.521 3.155 20 0 FGADRP C[N@H+](CCSc1ccc(F)cc1)C1CC[NH+](C2CCOCC2)CC1 ZINC000363379374 498789567 /nfs/dbraw/zinc/78/95/67/498789567.db2.gz PDTRARNIYUCSIG-UHFFFAOYSA-N 2 0 352.519 3.493 20 0 FGADRP C[C@@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1ccc(N2CCOC2=O)cc1 ZINC000298528241 498802473 /nfs/dbraw/zinc/80/24/73/498802473.db2.gz RZNNQDSTEAUWHC-MRXNPFEDSA-N 2 0 366.465 3.358 20 0 FGADRP C[C@H](C[NH2+]C[C@@H](O)COc1cc(Cl)ccc1Cl)C[NH+]1CCCC1 ZINC000320698302 498809479 /nfs/dbraw/zinc/80/94/79/498809479.db2.gz HVJRKOXHELPCKW-UKRRQHHQSA-N 2 0 361.313 3.055 20 0 FGADRP C[NH+](C)CCCOc1cnccc1C[NH2+][C@@H]1CCCc2c(O)cccc21 ZINC000291160917 498823074 /nfs/dbraw/zinc/82/30/74/498823074.db2.gz JAUDONORWZEWFU-LJQANCHMSA-N 2 0 355.482 3.285 20 0 FGADRP Cn1cc(CNC[C@@H]2CCC[N@H+](Cc3cccs3)C2)c(C(F)F)n1 ZINC000291263703 498867756 /nfs/dbraw/zinc/86/77/56/498867756.db2.gz SJVOVPZNXOPBHJ-ZDUSSCGKSA-N 2 0 354.470 3.421 20 0 FGADRP C[N@@H+]1CC[C@H](CNC(=O)[C@@H]([NH3+])c2ccccc2)[C@H]1c1cccc(Cl)c1 ZINC000366332258 498877643 /nfs/dbraw/zinc/87/76/43/498877643.db2.gz YVTIRGPGCVJGTA-NZSAHSFTSA-N 2 0 357.885 3.149 20 0 FGADRP Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)[C@@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC000363562134 498879488 /nfs/dbraw/zinc/87/94/88/498879488.db2.gz IZZNQRQGIMFVDT-RTBURBONSA-N 2 0 373.566 3.357 20 0 FGADRP Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)[C@@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC000363562131 498879532 /nfs/dbraw/zinc/87/95/32/498879532.db2.gz IZZNQRQGIMFVDT-MOPGFXCFSA-N 2 0 373.566 3.357 20 0 FGADRP CCC[NH+]1CCC(N(C)C(=O)N[C@@H](C)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000287991292 498919486 /nfs/dbraw/zinc/91/94/86/498919486.db2.gz KXWQFHJYXXKSDH-FXAWDEMLSA-N 2 0 360.546 3.194 20 0 FGADRP c1ccc(CC[NH+]2CCC(C[NH2+]C3CCC4(CC3)OCCO4)CC2)cc1 ZINC000363704602 498950373 /nfs/dbraw/zinc/95/03/73/498950373.db2.gz VJMGYIWFEZCWDA-UHFFFAOYSA-N 2 0 358.526 3.216 20 0 FGADRP CC[NH+]1CCN(c2cccc(NC3CCN(c4cc[nH+]cc4)CC3)c2)CC1 ZINC000291501736 498967015 /nfs/dbraw/zinc/96/70/15/498967015.db2.gz VMHGRTOHJSVWKL-UHFFFAOYSA-N 2 0 365.525 3.304 20 0 FGADRP C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)C1 ZINC000582051919 506122868 /nfs/dbraw/zinc/12/28/68/506122868.db2.gz ULQCLSJIJFRIQX-WIYYLYMNSA-N 2 0 372.557 3.331 20 0 FGADRP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]C[C@](C)(O)c1cccc(Cl)c1 ZINC000364046344 499098836 /nfs/dbraw/zinc/09/88/36/499098836.db2.gz BZKMIGMDQHFWQF-TTYHFUOFSA-N 2 0 366.933 3.027 20 0 FGADRP CC(C)(C)OC(=O)N1CC[C@](C)(C[NH2+]C2CC([NH+]3CCCCC3)C2)C1 ZINC000366954286 499121766 /nfs/dbraw/zinc/12/17/66/499121766.db2.gz PDBPYVUHKAGYDO-LBXVMSDZSA-N 2 0 351.535 3.240 20 0 FGADRP Cc1cc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2ccc(-n3ccnc3C)c(F)c2)on1 ZINC000364148799 499124176 /nfs/dbraw/zinc/12/41/76/499124176.db2.gz YSBSQKYWPYNFJW-CHWSQXEVSA-N 2 0 371.416 3.294 20 0 FGADRP Cc1ccc(CCCC(=O)N(C)[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)s1 ZINC000364175086 499127516 /nfs/dbraw/zinc/12/75/16/499127516.db2.gz HJIQRYWQGAQENB-GOSISDBHSA-N 2 0 363.571 3.006 20 0 FGADRP CCC[NH+]1CCN(C2CC[NH+](CCC(=O)c3ccc(C)cc3)CC2)CC1 ZINC000372483700 499133224 /nfs/dbraw/zinc/13/32/24/499133224.db2.gz WFRQRORPVJRRPP-UHFFFAOYSA-N 2 0 357.542 3.060 20 0 FGADRP CCN1CCC[C@@H](C[N@H+](C)C[C@@H](O)c2ccc(C)cc2)[C@@H]1c1cnn(C)c1 ZINC000372531516 499140707 /nfs/dbraw/zinc/14/07/07/499140707.db2.gz FKEJIBLIDLOONR-KSEOMHKRSA-N 2 0 370.541 3.167 20 0 FGADRP C[C@@H]1C[C@H](N(C)C(=O)NC2CC[NH+](CC3CCCCC3)CC2)CC[N@@H+]1C ZINC000369871831 499142275 /nfs/dbraw/zinc/14/22/75/499142275.db2.gz JLHUIVJAXMSZCW-YLJYHZDGSA-N 2 0 364.578 3.155 20 0 FGADRP CC[NH+](CC)Cc1cc([C@H](C)[NH2+][C@H]2CCC(=O)N[C@H]2C2CC2)ccc1OC ZINC000367066439 499142734 /nfs/dbraw/zinc/14/27/34/499142734.db2.gz JNLVMGKAAOOCGB-OHEPNIRZSA-N 2 0 373.541 3.245 20 0 FGADRP CC[NH+](CC)Cc1cc([C@H](C)[NH2+][C@@H]2CCC(=O)N[C@@H]2C2CC2)ccc1OC ZINC000367066440 499142829 /nfs/dbraw/zinc/14/28/29/499142829.db2.gz JNLVMGKAAOOCGB-VQPPSCEASA-N 2 0 373.541 3.245 20 0 FGADRP C[C@@H](C(=O)N1CCCCCC1)[N@@H+]1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000367231937 499165596 /nfs/dbraw/zinc/16/55/96/499165596.db2.gz RPZNIJXGLWCQFD-ROUUACIJSA-N 2 0 358.530 3.190 20 0 FGADRP CO[C@H](C[N@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccc(Cl)cc1 ZINC000367288614 499173883 /nfs/dbraw/zinc/17/38/83/499173883.db2.gz HILCEMZRNIDYPZ-WOJBJXKFSA-N 2 0 365.949 3.128 20 0 FGADRP CO[C@H](C[N@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccc(Cl)cc1 ZINC000367288613 499173953 /nfs/dbraw/zinc/17/39/53/499173953.db2.gz HILCEMZRNIDYPZ-VQTJNVASSA-N 2 0 365.949 3.128 20 0 FGADRP C[C@@H]1C[N@@H+](Cc2ccc(C[NH2+][C@@H]3CCCc4n[nH]cc43)cc2)C[C@H](C)O1 ZINC000367614415 499217903 /nfs/dbraw/zinc/21/79/03/499217903.db2.gz HUDIQLYRCBYLAZ-GQIGUUNPSA-N 2 0 354.498 3.186 20 0 FGADRP COc1ccc([C@@H]2CCCC[C@H]2[NH2+]C[C@H](C)N2CC[NH+](C)CC2)cc1F ZINC000370628126 499237264 /nfs/dbraw/zinc/23/72/64/499237264.db2.gz HVKFNUXXVPMWNG-XKGZKEIXSA-N 2 0 363.521 3.086 20 0 FGADRP COc1ccc(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)c2ccccc12 ZINC000370698838 499245672 /nfs/dbraw/zinc/24/56/72/499245672.db2.gz KISJEAGISXEUIV-GCJKJVERSA-N 2 0 367.537 3.306 20 0 FGADRP C[C@@H]1CN(Cc2cc(Cl)cc(Cl)c2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000370707847 499246767 /nfs/dbraw/zinc/24/67/67/499246767.db2.gz OUTGIZKSUVDOMN-RDTXWAMCSA-N 2 0 356.341 3.451 20 0 FGADRP O=C(Oc1ccccc1)N1CCC[C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000367999482 499253456 /nfs/dbraw/zinc/25/34/56/499253456.db2.gz UYKZVRIQIBBSKD-OTWHNJEPSA-N 2 0 357.498 3.256 20 0 FGADRP C[C@H]1CN(Cc2cccc(C[NH2+]C3CC(c4ccccn4)C3)c2)CCO1 ZINC000368031290 499257328 /nfs/dbraw/zinc/25/73/28/499257328.db2.gz SRCUXFGGPYZFRF-RPCJCACASA-N 2 0 351.494 3.338 20 0 FGADRP CC(C)N1CCc2nc(C[N@H+]3CCCCC[C@@H]3C[C@@H](C)O)sc2C1 ZINC000368037989 499258304 /nfs/dbraw/zinc/25/83/04/499258304.db2.gz OCVCTRCUIPFBEM-HZPDHXFCSA-N 2 0 351.560 3.425 20 0 FGADRP C[N@H+](Cc1ccc(CO)cc1)[C@H]1CCC[NH+](Cc2ccc(CO)cc2)CC1 ZINC000368055088 499260301 /nfs/dbraw/zinc/26/03/01/499260301.db2.gz DFNKAKMGPPCRBW-QHCPKHFHSA-N 2 0 368.521 3.158 20 0 FGADRP C[NH+](C)Cc1ccccc1C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000368279899 499281260 /nfs/dbraw/zinc/28/12/60/499281260.db2.gz CZBKVABZXIGXMS-UHFFFAOYSA-N 2 0 365.521 3.185 20 0 FGADRP C[NH+]1CCC2(CC1)C[C@H]([NH2+]C[C@H]1CCCn3ccnc31)c1ccccc1O2 ZINC000368361951 499289003 /nfs/dbraw/zinc/28/90/03/499289003.db2.gz DTNRBUJQBJLYMT-MJGOQNOKSA-N 2 0 366.509 3.338 20 0 FGADRP O=C([C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000371241527 499301287 /nfs/dbraw/zinc/30/12/87/499301287.db2.gz CRXKSABLTPNTSY-QKNQBKEWSA-N 2 0 373.516 3.028 20 0 FGADRP Cc1ccncc1CCC[NH2+]CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000368571185 499309056 /nfs/dbraw/zinc/30/90/56/499309056.db2.gz DAAREXBJZQPVIS-UHFFFAOYSA-N 2 0 358.574 3.109 20 0 FGADRP COc1cc(C[NH2+]C[C@@H]2CC[N@H+](C)[C@@H]2c2cccs2)cc(OC)c1O ZINC000368575173 499309222 /nfs/dbraw/zinc/30/92/22/499309222.db2.gz INWCAZYRLQOQIR-KSSFIOAISA-N 2 0 362.495 3.254 20 0 FGADRP CC(C)[NH+]1CCN([C@H]2CC[N@H+](Cc3cccc(-c4cccnc4)c3)C2)CC1 ZINC000371335903 499312453 /nfs/dbraw/zinc/31/24/53/499312453.db2.gz MKXFRBCDOUYUKE-QHCPKHFHSA-N 2 0 364.537 3.349 20 0 FGADRP C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000368609003 499313167 /nfs/dbraw/zinc/31/31/67/499313167.db2.gz UNECOVSMSWGPFG-ICUGJSFKSA-N 2 0 351.535 3.094 20 0 FGADRP C[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(N3CCCC3)nc2)[C@H]1c1ccccc1 ZINC000371927508 499380506 /nfs/dbraw/zinc/38/05/06/499380506.db2.gz PYISKMXZWJQZAQ-RBBKRZOGSA-N 2 0 350.510 3.464 20 0 FGADRP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N2CC[C@H]([NH+]3CCCC3)C2)CC1 ZINC000369449701 499404447 /nfs/dbraw/zinc/40/44/47/499404447.db2.gz XPSITIRZRNLADC-NQIIRXRSSA-N 2 0 370.541 3.092 20 0 FGADRP C[NH+](C)[C@H](Cc1ccccc1)C(=O)NC[C@@H]1CC[N@H+](C)[C@@H]1c1cccs1 ZINC000369571211 499420338 /nfs/dbraw/zinc/42/03/38/499420338.db2.gz VRCBMAQBFUGWIE-NSHGMRRFSA-N 2 0 371.550 3.030 20 0 FGADRP C[C@@H]([NH2+]CCCOCC1CCOCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000372346142 499423535 /nfs/dbraw/zinc/42/35/35/499423535.db2.gz JJEPMPYQXPSLRS-DENIHFKCSA-N 2 0 360.542 3.320 20 0 FGADRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)C[C@H]1CCC[NH2+]CC1 ZINC000372411751 499431627 /nfs/dbraw/zinc/43/16/27/499431627.db2.gz JILMMXJKMQOHRX-LMVRJCEZSA-N 2 0 357.542 3.039 20 0 FGADRP Cc1cc(C)cc(OCCC[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)c1 ZINC000369766948 499441714 /nfs/dbraw/zinc/44/17/14/499441714.db2.gz PACVCTHEXWMSEQ-IFMALSPDSA-N 2 0 359.558 3.030 20 0 FGADRP CCC[NH+]1CCN(C2CC[NH+](C[C@H](C)c3ccc(OC)cc3)CC2)CC1 ZINC000372933080 499443631 /nfs/dbraw/zinc/44/36/31/499443631.db2.gz YIOSVUUXMLLHCK-IBGZPJMESA-N 2 0 359.558 3.291 20 0 FGADRP Cc1csc(=O)n1CC[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000378301273 499499622 /nfs/dbraw/zinc/49/96/22/499499622.db2.gz IHPVCBCBTASOIE-UHFFFAOYSA-N 2 0 371.550 3.206 20 0 FGADRP c1ccc(C[N@@H+]2CCCO[C@@H](CN3CCC([NH2+]C4CCCC4)CC3)C2)cc1 ZINC000375325879 499507649 /nfs/dbraw/zinc/50/76/49/499507649.db2.gz HXPIGXJFCXRUGI-QHCPKHFHSA-N 2 0 371.569 3.274 20 0 FGADRP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2Cc1cccc(-c2ccccn2)c1 ZINC000378368297 499507819 /nfs/dbraw/zinc/50/78/19/499507819.db2.gz GLPKUACTOBAUAM-BAGYTPMASA-N 2 0 351.494 3.432 20 0 FGADRP C[C@@H](c1ccc(OC(F)F)cc1)[N@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000378425928 499515784 /nfs/dbraw/zinc/51/57/84/499515784.db2.gz GTGVSYCSXUZYIJ-MAUKXSAKSA-N 2 0 367.484 3.449 20 0 FGADRP C[N@@H+]1CCC[C@H](C[NH2+]C[C@@H](O)COCc2ccccc2)[C@H]1c1ccccc1 ZINC000375449305 499520616 /nfs/dbraw/zinc/52/06/16/499520616.db2.gz PGKNQBZOPRRVFN-DNVJHFABSA-N 2 0 368.521 3.237 20 0 FGADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CC[C@@H](c3cn(C)c4ccccc34)C2)CC1 ZINC000375592919 499535796 /nfs/dbraw/zinc/53/57/96/499535796.db2.gz VGJPDRORYAKMOI-HXUWFJFHSA-N 2 0 368.569 3.384 20 0 FGADRP C[C@@H](NCC(=O)Nc1cccc(F)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000388839753 499552056 /nfs/dbraw/zinc/55/20/56/499552056.db2.gz XXZVYVGUMSWMGL-SJLPKXTDSA-N 2 0 355.457 3.264 20 0 FGADRP OC1(C[NH2+][C@@H]2CCc3ccccc3C2)CC[NH+](Cc2ccccc2)CC1 ZINC000397495309 499564446 /nfs/dbraw/zinc/56/44/46/499564446.db2.gz PQXBKERCVOIRPZ-JOCHJYFZSA-N 2 0 350.506 3.161 20 0 FGADRP COc1ccc(NC(=O)CN[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000397983556 499565536 /nfs/dbraw/zinc/56/55/36/499565536.db2.gz NIXHBJOYAAIERO-UWJYYQICSA-N 2 0 367.493 3.134 20 0 FGADRP COc1ccc2nc(C[NH+]3CCC([C@@H]4OCCC[C@H]4[NH3+])CC3)sc2c1 ZINC000582169152 506150348 /nfs/dbraw/zinc/15/03/48/506150348.db2.gz NWNHBYCKFYRWHE-BEFAXECRSA-N 2 0 361.511 3.023 20 0 FGADRP CCNC(=O)c1ccc(C[NH2+][C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000376318097 499599970 /nfs/dbraw/zinc/59/99/70/499599970.db2.gz FSEGSHPPCJDAPO-XMSQKQJNSA-N 2 0 365.521 3.437 20 0 FGADRP C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000376696719 499629841 /nfs/dbraw/zinc/62/98/41/499629841.db2.gz PYUIMCJPCVQXFW-XLIONFOSSA-N 2 0 362.562 3.052 20 0 FGADRP CC[NH+](CC)CCCNC(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000410371191 499658343 /nfs/dbraw/zinc/65/83/43/499658343.db2.gz SLFDBERWCSLWGW-LJQANCHMSA-N 2 0 374.573 3.450 20 0 FGADRP C[C@H](O)c1ncc(C[NH2+]CC2CC[NH+](Cc3ccccc3F)CC2)s1 ZINC000377539800 499701981 /nfs/dbraw/zinc/70/19/81/499701981.db2.gz FVTAVUMWOQELIE-AWEZNQCLSA-N 2 0 363.502 3.337 20 0 FGADRP C[NH+]1CCN(C[C@H]2CCC[N@H+](Cc3ccc(-c4ccccc4)o3)C2)CC1 ZINC000377618134 499710867 /nfs/dbraw/zinc/71/08/67/499710867.db2.gz BKKORSDVAWRKEF-LJQANCHMSA-N 2 0 353.510 3.406 20 0 FGADRP COc1ccc2c(c1)CCC[C@H]2[N@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000377626229 499712098 /nfs/dbraw/zinc/71/20/98/499712098.db2.gz MEAAAGDZOBJFSL-DENIHFKCSA-N 2 0 357.542 3.173 20 0 FGADRP CN1CCN([C@H]2CCCC[N@H+](Cc3cnc(C4CCCC4)s3)C2)CC1 ZINC000377689441 499720373 /nfs/dbraw/zinc/72/03/73/499720373.db2.gz BPRPFOVBACTPDD-SFHVURJKSA-N 2 0 362.587 3.403 20 0 FGADRP CCO[C@@H]1C[C@H](O)C12CC[NH+](Cc1cccc(C[NH+]3CCCCC3)c1)CC2 ZINC000411278347 499720734 /nfs/dbraw/zinc/72/07/34/499720734.db2.gz AGKOFLMMRCOYFF-FCHUYYIVSA-N 2 0 372.553 3.424 20 0 FGADRP C[C@H]1C[C@@H](C(=O)N2CCC[C@@H]2[C@@H]2CCC[NH+]2Cc2ccccc2)CC[N@@H+]1C ZINC000377769726 499730834 /nfs/dbraw/zinc/73/08/34/499730834.db2.gz CKUDINDUJWMMPB-JKLQHZFJSA-N 2 0 369.553 3.372 20 0 FGADRP O=C1NCCCN1C1CC[NH+](Cc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000411397512 499734044 /nfs/dbraw/zinc/73/40/44/499734044.db2.gz HROPNDMZYACLIV-UHFFFAOYSA-N 2 0 370.541 3.052 20 0 FGADRP Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)[C@H]1CC[NH2+][C@@H]1C(C)C ZINC000377816732 499738085 /nfs/dbraw/zinc/73/80/85/499738085.db2.gz KXZHLQXDRLXPPL-PKOBYXMFSA-N 2 0 361.555 3.116 20 0 FGADRP CC(C)Oc1ccc([C@H](C)[NH2+]CC(=O)NC2CC[NH+](C(C)C)CC2)cc1 ZINC000411440570 499740626 /nfs/dbraw/zinc/74/06/26/499740626.db2.gz BVQWVXRIRKSSID-KRWDZBQOSA-N 2 0 361.530 3.113 20 0 FGADRP CC[C@H]([NH2+]CC(=O)NC1CC[NH+](C(C)C)CC1)C(C)(C)c1ccccc1 ZINC000411476966 499745638 /nfs/dbraw/zinc/74/56/38/499745638.db2.gz HRHKUFQMFJVJKM-FQEVSTJZSA-N 2 0 359.558 3.321 20 0 FGADRP CC[NH+]1CCC(NC(=O)C[NH2+][C@@H](c2ccccc2F)C2CCCC2)CC1 ZINC000411481254 499746006 /nfs/dbraw/zinc/74/60/06/499746006.db2.gz ZPHNHXVWANLYJA-OAQYLSRUSA-N 2 0 361.505 3.247 20 0 FGADRP CC[N@H+](C)Cc1cccc(C[NH2+][C@@H]2CC[NH+](C[C@@H]3CCCO3)C[C@H]2C)c1 ZINC000378167906 499761733 /nfs/dbraw/zinc/76/17/33/499761733.db2.gz XYRFOORZEIOZTK-BVYCBKJFSA-N 3 0 359.558 3.117 20 0 FGADRP CC[N@H+](C)Cc1cccc(C[NH2+][C@@H]2CC[NH+](C[C@H]3CCCO3)C[C@H]2C)c1 ZINC000378167907 499761845 /nfs/dbraw/zinc/76/18/45/499761845.db2.gz XYRFOORZEIOZTK-STZQEDGTSA-N 3 0 359.558 3.117 20 0 FGADRP CCc1ccc([C@H]([NH2+]CC2(N3CCOCC3)CC[NH+](C)CC2)C(C)C)cc1 ZINC000414182236 499766578 /nfs/dbraw/zinc/76/65/78/499766578.db2.gz CXVOERSKOOSCTB-JOCHJYFZSA-N 2 0 373.585 3.332 20 0 FGADRP CC(C)[C@H]1C[C@@H]([NH2+]CC2(N3CCOCC3)CC[NH+](C)CC2)c2ccccc21 ZINC000414184300 499766656 /nfs/dbraw/zinc/76/66/56/499766656.db2.gz FPTNOTRHNVZPPX-FGZHOGPDSA-N 2 0 371.569 3.257 20 0 FGADRP C[C@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)c1ccc(OCc2nccn2C)cc1 ZINC000414189753 499767181 /nfs/dbraw/zinc/76/71/81/499767181.db2.gz RHKSWWOBDGIMEG-ROUUACIJSA-N 2 0 356.514 3.382 20 0 FGADRP C[C@@H]([NH2+]C[C@@H](CO)c1ccc(F)cc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000414286101 499774340 /nfs/dbraw/zinc/77/43/40/499774340.db2.gz ITCDLNYRSATSLX-APWZRJJASA-N 2 0 360.473 3.193 20 0 FGADRP CO[C@H](c1ccccc1)[C@H](C)[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000414294226 499775194 /nfs/dbraw/zinc/77/51/94/499775194.db2.gz BSVXYHMQDGVMPF-UGKGYDQZSA-N 2 0 368.521 3.379 20 0 FGADRP CC[C@@H]([NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1)[C@@H]1CC1(C)C ZINC000414337878 499778970 /nfs/dbraw/zinc/77/89/70/499778970.db2.gz JWDSSESYRUIJJA-VQTJNVASSA-N 2 0 357.542 3.298 20 0 FGADRP O=C([C@H]1CC[N@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1)N1CCCC1 ZINC000411739200 499784911 /nfs/dbraw/zinc/78/49/11/499784911.db2.gz MYVWCFMOGUEQPU-NRFANRHFSA-N 2 0 355.526 3.117 20 0 FGADRP CC(CC[NH+]1CC[C@@]2(C1)CCCOC2)CC[N@@H+]1CC[C@@]2(C1)CCCOC2 ZINC000411767638 499788465 /nfs/dbraw/zinc/78/84/65/499788465.db2.gz ODXXQWCNWDVVKV-FGZHOGPDSA-N 2 0 364.574 3.408 20 0 FGADRP Cc1cc(C[NH+]2CCC(C[NH+]3CCN(C)CC3)CC2)ccc1C(F)(F)F ZINC000414441140 499792521 /nfs/dbraw/zinc/79/25/21/499792521.db2.gz NSHRZVVZMQIILK-UHFFFAOYSA-N 2 0 369.475 3.473 20 0 FGADRP CC(C)(C)c1nn(Cc2ccccc2)cc1C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000414666626 499818754 /nfs/dbraw/zinc/81/87/54/499818754.db2.gz GLPFTXZZDODVHG-IHPCNDPISA-N 2 0 352.526 3.398 20 0 FGADRP CC(C)(C)c1nn(Cc2ccccc2)cc1C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000414666624 499818762 /nfs/dbraw/zinc/81/87/62/499818762.db2.gz GLPFTXZZDODVHG-DFQSSKMNSA-N 2 0 352.526 3.398 20 0 FGADRP CC(C)(Cc1ccc(Cl)cc1Cl)[NH2+]C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414717648 499822474 /nfs/dbraw/zinc/82/24/74/499822474.db2.gz ZSVMGCQPFITQMB-CYBMUJFWSA-N 2 0 372.340 3.101 20 0 FGADRP COCC[N@@H+](Cc1cc(Br)cs1)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414756216 499827079 /nfs/dbraw/zinc/82/70/79/499827079.db2.gz JDAPCLQYZXHBBY-CHWSQXEVSA-N 2 0 361.349 3.347 20 0 FGADRP C[NH+](C)Cc1ccnc(NC(=O)c2cccc(C[NH+]3CCCCC3)c2)c1 ZINC000412154527 499828563 /nfs/dbraw/zinc/82/85/63/499828563.db2.gz COQRPZIFOHEVMP-UHFFFAOYSA-N 2 0 352.482 3.381 20 0 FGADRP COc1cc(C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c(SC)cc1OC ZINC000414777868 499830030 /nfs/dbraw/zinc/83/00/30/499830030.db2.gz INXVTPIHTLAQMO-HUUCEWRRSA-N 2 0 350.528 3.247 20 0 FGADRP CC[NH+](CC)CCOc1ccccc1NC(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000414784692 499831046 /nfs/dbraw/zinc/83/10/46/499831046.db2.gz ITLMHVRQGXKATR-IRXDYDNUSA-N 2 0 362.518 3.046 20 0 FGADRP C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000414798437 499832440 /nfs/dbraw/zinc/83/24/40/499832440.db2.gz JBSYKVSIQNSVIA-DVOMOZLQSA-N 2 0 373.419 3.409 20 0 FGADRP FC(F)(F)c1ccn(-c2ccc(C[NH2+]CC[C@H]3CCC[NH2+]C3)cc2)n1 ZINC000414833028 499835517 /nfs/dbraw/zinc/83/55/17/499835517.db2.gz FXJQZNLIVYMENV-CQSZACIVSA-N 2 0 352.404 3.370 20 0 FGADRP C[NH2+]C[C@@H](C)C[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc(OC)cc1 ZINC000414847177 499837407 /nfs/dbraw/zinc/83/74/07/499837407.db2.gz VKAIBSDAUQCKQL-QGZVFWFLSA-N 2 0 364.493 3.493 20 0 FGADRP C[C@H]([NH2+]C1CCN(Cc2c(F)cccc2Cl)CC1)[C@@H]1CCC[NH2+]C1 ZINC000414853534 499838194 /nfs/dbraw/zinc/83/81/94/499838194.db2.gz KXJXGLVECOPKPH-LSDHHAIUSA-N 2 0 353.913 3.421 20 0 FGADRP CCOc1c(Br)cc(C[NH2+][C@H](C)[C@@H]2CCC[NH2+]C2)cc1OC ZINC000414858306 499838571 /nfs/dbraw/zinc/83/85/71/499838571.db2.gz RFMDCGYLCOCQFO-TZMCWYRMSA-N 2 0 371.319 3.334 20 0 FGADRP COc1ccc(-c2nn(Cc3ccccc3)cc2C[NH2+][C@H](C)CC[NH3+])cc1 ZINC000414894304 499842406 /nfs/dbraw/zinc/84/24/06/499842406.db2.gz KZDIZRMAPAVGTJ-QGZVFWFLSA-N 2 0 364.493 3.434 20 0 FGADRP COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]CC1(C)CC[NH2+]CC1 ZINC000414908494 499843577 /nfs/dbraw/zinc/84/35/77/499843577.db2.gz QZQWPXIAHTUXPQ-ZDUSSCGKSA-N 2 0 353.894 3.045 20 0 FGADRP C[C@@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]C[C@@]1(C)CCC[NH2+]C1 ZINC000414919527 499844658 /nfs/dbraw/zinc/84/46/58/499844658.db2.gz XGLQGKHTABGZTR-KXBFYZLASA-N 2 0 351.922 3.056 20 0 FGADRP C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1cccc(C[NH+]2CCCCC2)c1 ZINC000412329502 499845345 /nfs/dbraw/zinc/84/53/45/499845345.db2.gz BLVRTAPCXUGRIG-RXVVDRJESA-N 2 0 355.526 3.371 20 0 FGADRP C[NH2+]CC1CCN(C(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)CC1 ZINC000414957985 499849100 /nfs/dbraw/zinc/84/91/00/499849100.db2.gz CHPFZMYLVCRTCZ-UHFFFAOYSA-N 2 0 358.530 3.178 20 0 FGADRP C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)C1 ZINC000414978249 499850724 /nfs/dbraw/zinc/85/07/24/499850724.db2.gz RHCQFFPSNYSFEV-IEBWSBKVSA-N 2 0 358.530 3.306 20 0 FGADRP C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]C[C@@H]1CCC[C@H]([NH3+])C1 ZINC000414992619 499852348 /nfs/dbraw/zinc/85/23/48/499852348.db2.gz BVMCAMXAOKNQAF-RKVPGOIHSA-N 2 0 351.922 3.184 20 0 FGADRP COc1ccc(Cn2nc(C)c(C[NH2+]C[C@H]3CCC[C@H]([NH3+])C3)c2C)cc1 ZINC000414996592 499852893 /nfs/dbraw/zinc/85/28/93/499852893.db2.gz GNFTWUVBMLFLJH-OALUTQOASA-N 2 0 356.514 3.164 20 0 FGADRP COc1cc(C[NH2+]C[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)cc2c1OCO2 ZINC000415001820 499853838 /nfs/dbraw/zinc/85/38/38/499853838.db2.gz LPYJIKXOHLMGLP-FUHWJXTLSA-N 2 0 372.440 3.046 20 0 FGADRP [NH3+][C@H]1CCC[C@@H](C[NH2+]Cc2nc(-c3ccc(Br)cc3)c[nH]2)C1 ZINC000415004492 499853986 /nfs/dbraw/zinc/85/39/86/499853986.db2.gz OGAJXYKSZNZBQL-DOMZBBRYSA-N 2 0 363.303 3.446 20 0 FGADRP [NH3+][C@@H]1CCC[C@H](C[NH2+]Cc2nc(-c3cccc(Br)c3)c[nH]2)C1 ZINC000415004146 499854139 /nfs/dbraw/zinc/85/41/39/499854139.db2.gz NWFXCVPUPQSFHY-SWLSCSKDSA-N 2 0 363.303 3.446 20 0 FGADRP Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+][C@H](C)CCC[NH3+] ZINC000415017666 499855336 /nfs/dbraw/zinc/85/53/36/499855336.db2.gz FRJROGOCDHHSJO-GFCCVEGCSA-N 2 0 351.292 3.160 20 0 FGADRP Cc1ccc(C[NH+]2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)c(Br)c1 ZINC000415104477 499863887 /nfs/dbraw/zinc/86/38/87/499863887.db2.gz GZFUGCLJDUUCCD-ROUUACIJSA-N 2 0 367.331 3.476 20 0 FGADRP C[C@@H]1CC[N@H+](Cc2cn(-c3ccccc3)nc2-c2ccncc2)C[C@@H]1C[NH3+] ZINC000415119985 499866116 /nfs/dbraw/zinc/86/61/16/499866116.db2.gz FPLXGKSFKOCFFO-MJGOQNOKSA-N 2 0 361.493 3.351 20 0 FGADRP [NH3+][C@@H]1CCO[C@@H](C2CC[NH+](Cc3ccccc3OC(F)(F)F)CC2)C1 ZINC000415121195 499866292 /nfs/dbraw/zinc/86/62/92/499866292.db2.gz HQGZWGPZCLOIAV-NVXWUHKLSA-N 2 0 358.404 3.304 20 0 FGADRP [NH3+][C@H]1CCCO[C@@H]1C1CC[NH+](Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000415126357 499867017 /nfs/dbraw/zinc/86/70/17/499867017.db2.gz MAXGTXXICYRFIU-DLBZAZTESA-N 2 0 358.404 3.304 20 0 FGADRP [NH3+][C@@H]1CCO[C@@H](C2CC[NH+](Cc3ccc(OC(F)F)c(F)c3)CC2)C1 ZINC000415131607 499867971 /nfs/dbraw/zinc/86/79/71/499867971.db2.gz ZTDCWJKAKGPXAD-RHSMWYFYSA-N 2 0 358.404 3.145 20 0 FGADRP C[C@H](Cc1ccccc1F)[NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1 ZINC000415135767 499868851 /nfs/dbraw/zinc/86/88/51/499868851.db2.gz QOFCTLLQCGUSGC-GOSISDBHSA-N 2 0 355.501 3.340 20 0 FGADRP CC[NH+](CC)CCOc1ccc(NC(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])cc1 ZINC000415179485 499874130 /nfs/dbraw/zinc/87/41/30/499874130.db2.gz JVSOPZLCGOWSGD-VQIMIIECSA-N 2 0 362.518 3.046 20 0 FGADRP Cc1ccc(NC(=O)NCC2([NH3+])CCCCCC2)c(OCC[NH+](C)C)c1 ZINC000415202506 499876549 /nfs/dbraw/zinc/87/65/49/499876549.db2.gz IWEFDVXTINEMPB-UHFFFAOYSA-N 2 0 362.518 3.109 20 0 FGADRP CC1CC[NH+](CCc2cccc(NC(=O)N3CC[C@H]4[NH2+]CC[C@H]4C3)c2)CC1 ZINC000415391634 499890958 /nfs/dbraw/zinc/89/09/58/499890958.db2.gz MBAZLMDDBQUHAL-PZJWPPBQSA-N 2 0 370.541 3.177 20 0 FGADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000415883498 499924145 /nfs/dbraw/zinc/92/41/45/499924145.db2.gz NRPDCDKMDVQFLH-PXNSSMCTSA-N 2 0 358.530 3.354 20 0 FGADRP C[C@H](CCNC(=O)Nc1ccc2c(c1)C[NH2+]CC2)[N@H+](C)Cc1ccccc1 ZINC000415884681 499924504 /nfs/dbraw/zinc/92/45/04/499924504.db2.gz QNTARFOSRMVTHE-QGZVFWFLSA-N 2 0 366.509 3.364 20 0 FGADRP CC[NH+](CC)Cc1ccccc1CNC(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000415887681 499924625 /nfs/dbraw/zinc/92/46/25/499924625.db2.gz XUKVTSZKSSEGBS-UHFFFAOYSA-N 2 0 366.509 3.496 20 0 FGADRP C[NH2+]Cc1ccccc1NC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000415909379 499927476 /nfs/dbraw/zinc/92/74/76/499927476.db2.gz FWSSYRGZDKTJTJ-IBGZPJMESA-N 2 0 352.482 3.144 20 0 FGADRP C[NH2+]Cc1ccccc1NC(=O)NCc1ccc(OCCC[NH+](C)C)cc1 ZINC000415914009 499927577 /nfs/dbraw/zinc/92/75/77/499927577.db2.gz TXPMJFREGLHLHB-UHFFFAOYSA-N 2 0 370.497 3.058 20 0 FGADRP CC[NH2+]Cc1ccccc1NC(=O)NCc1ccc(C[NH+](C)C)c(F)c1 ZINC000415933670 499930329 /nfs/dbraw/zinc/93/03/29/499930329.db2.gz QDOIKRMTCKGEAD-UHFFFAOYSA-N 2 0 358.461 3.319 20 0 FGADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2cc(C[NH3+])cc(C(F)(F)F)c2)[C@H](C)C1 ZINC000415954621 499932927 /nfs/dbraw/zinc/93/29/27/499932927.db2.gz KXFLEDOOJAOKHK-MLGOLLRUSA-N 2 0 372.435 3.358 20 0 FGADRP CC[NH2+]Cc1ccccc1NC(=O)NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000415962194 499934134 /nfs/dbraw/zinc/93/41/34/499934134.db2.gz WSORERBWLMXCBS-UHFFFAOYSA-N 2 0 366.509 3.017 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1CCNC(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000415965984 499934765 /nfs/dbraw/zinc/93/47/65/499934765.db2.gz FZXLZEIQINVGGU-GFCCVEGCSA-N 2 0 358.408 3.160 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)Nc1ccc(C[NH3+])cc1)c1cccc(OC)c1 ZINC000415966453 499935048 /nfs/dbraw/zinc/93/50/48/499935048.db2.gz ZQKMWPSNFXBKNE-HXUWFJFHSA-N 2 0 370.497 3.359 20 0 FGADRP C[C@H]1C[C@H](N(C)C(=O)Nc2cc(C[NH3+])cc(C(F)(F)F)c2)CC[N@@H+]1C ZINC000415974737 499936086 /nfs/dbraw/zinc/93/60/86/499936086.db2.gz SASZXYVMFRPRGL-XHDPSFHLSA-N 2 0 358.408 3.111 20 0 FGADRP C[NH2+]Cc1ccc(NC(=O)N[C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000415984103 499937243 /nfs/dbraw/zinc/93/72/43/499937243.db2.gz OPUQBKZVZIPQPN-FXAWDEMLSA-N 2 0 366.509 3.438 20 0 FGADRP C[C@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000415988548 499938026 /nfs/dbraw/zinc/93/80/26/499938026.db2.gz DFJDGODGXZAGRX-IRXDYDNUSA-N 2 0 364.493 3.417 20 0 FGADRP C[NH2+]Cc1ccc(NC(=O)NCc2ccccc2C[NH+]2CCCC2)cc1 ZINC000415992541 499938550 /nfs/dbraw/zinc/93/85/50/499938550.db2.gz QWMMBBXYNMZDDO-UHFFFAOYSA-N 2 0 352.482 3.324 20 0 FGADRP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)N(CCC[NH3+])Cc2ccccc2)C1 ZINC000417029645 499952131 /nfs/dbraw/zinc/95/21/31/499952131.db2.gz CJWNHZPWFATPFM-WOJBJXKFSA-N 2 0 374.573 3.305 20 0 FGADRP C[N@H+](CCCNC(=O)N(CCC[NH3+])Cc1ccccc1)C1CCCCC1 ZINC000417040969 499955659 /nfs/dbraw/zinc/95/56/59/499955659.db2.gz VWRNEMPDKPBVPY-UHFFFAOYSA-N 2 0 360.546 3.202 20 0 FGADRP CC[NH+]1CCC(n2nccc2NC(=O)C[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000416141883 499956259 /nfs/dbraw/zinc/95/62/59/499956259.db2.gz AWXBUYXPXONPFF-LJQANCHMSA-N 2 0 369.513 3.171 20 0 FGADRP CC[NH+]1CCC(N2CCCN(C(=O)c3coc4c3cccc4C)CC2)CC1 ZINC000424895092 499965234 /nfs/dbraw/zinc/96/52/34/499965234.db2.gz RKKROVAILZAYAL-UHFFFAOYSA-N 2 0 369.509 3.373 20 0 FGADRP Cc1cc(NC(=O)C[C@@H](c2ccccc2)[NH+](C)C)n(C2CC[NH+](C)CC2)n1 ZINC000416171713 499967263 /nfs/dbraw/zinc/96/72/63/499967263.db2.gz RRSCLLIZDZZAFM-IBGZPJMESA-N 2 0 369.513 3.090 20 0 FGADRP Cc1oc(-c2ccccc2)nc1C[NH+]1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000573310159 506168555 /nfs/dbraw/zinc/16/85/55/506168555.db2.gz HRYKYFNDNMPYSG-ICSRJNTNSA-N 2 0 355.482 3.368 20 0 FGADRP Cc1cc(NC(=O)CC[N@@H+]2CCc3ccccc3C2)ccc1C[NH+](C)C ZINC000416243549 499993369 /nfs/dbraw/zinc/99/33/69/499993369.db2.gz BGFVMVCOBRKMLF-UHFFFAOYSA-N 2 0 351.494 3.444 20 0 FGADRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCCC[C@@H]2[C@H]2CCC[NH2+]C2)C1 ZINC000417236576 500013991 /nfs/dbraw/zinc/01/39/91/500013991.db2.gz GDGYHVKFRYAEAZ-CEXWTWQISA-N 2 0 364.578 3.061 20 0 FGADRP CCS(=O)(=O)c1c(Cl)cccc1C[NH2+]C1CCC([NH+](C)C)CC1 ZINC000421379870 500032633 /nfs/dbraw/zinc/03/26/33/500032633.db2.gz XPHNWOXBYKCJIS-UHFFFAOYSA-N 2 0 358.935 3.096 20 0 FGADRP C[NH+](C)C1CCC([NH2+]Cc2c(Cl)cccc2N2CCOCC2)CC1 ZINC000421383546 500033705 /nfs/dbraw/zinc/03/37/05/500033705.db2.gz ZGVHCZPNUMIXFE-UHFFFAOYSA-N 2 0 351.922 3.139 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)NCc1ccc([C@H](C)[NH3+])cc1)c1ccco1 ZINC000417310738 500036309 /nfs/dbraw/zinc/03/63/09/500036309.db2.gz KSDSWXOWCJZWQX-MAUKXSAKSA-N 2 0 358.486 3.182 20 0 FGADRP C[C@H](CCCC[NH3+])NC(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000417325592 500040648 /nfs/dbraw/zinc/04/06/48/500040648.db2.gz AACZUOHLXOUTPX-GOSISDBHSA-N 2 0 360.546 3.379 20 0 FGADRP Cc1ccc([C@@H](CNC(=O)NC[C@H]([NH3+])c2ccccc2)[NH+]2CCCC2)cc1 ZINC000417359128 500048297 /nfs/dbraw/zinc/04/82/97/500048297.db2.gz VHARSCMRZQJSRF-LEWJYISDSA-N 2 0 366.509 3.131 20 0 FGADRP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]CC(C)(C)C2(O)CCOCC2)CC1 ZINC000417391005 500058206 /nfs/dbraw/zinc/05/82/06/500058206.db2.gz ZMHTWUGLAFYLLW-IBGZPJMESA-N 2 0 374.569 3.239 20 0 FGADRP CC[NH+](CC)[C@@H](C(=O)N1CCC([NH2+]C)CC1)c1cccc(C(F)(F)F)c1 ZINC000429359258 500059122 /nfs/dbraw/zinc/05/91/22/500059122.db2.gz CENMNURBSDXDGA-QGZVFWFLSA-N 2 0 371.447 3.299 20 0 FGADRP CC[C@H](NC(=O)CN1CCC[C@@H]([NH+](C)C)CC1)c1ccc(Cl)cc1 ZINC000429541304 500097259 /nfs/dbraw/zinc/09/72/59/500097259.db2.gz ONYSDXODTAGOLT-MSOLQXFVSA-N 2 0 351.922 3.323 20 0 FGADRP C[NH+](C)C1CCC(NC(=O)[C@@]23CCC[C@@H]2C[N@H+](Cc2ccccc2)C3)CC1 ZINC000421681427 500115359 /nfs/dbraw/zinc/11/53/59/500115359.db2.gz XCZNWLRRDMWNRL-ZDTVFLJBSA-N 2 0 369.553 3.278 20 0 FGADRP [NH3+]C[C@@H](NC(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1)C1CCCCC1 ZINC000416822240 500129754 /nfs/dbraw/zinc/12/97/54/500129754.db2.gz WRSGAKPRVOCQFP-MSOLQXFVSA-N 2 0 362.518 3.013 20 0 FGADRP CCCN(C(=O)NC[C@@H](c1ccccc1)[NH+](CC)CC)C1CC[NH2+]CC1 ZINC000416842170 500135567 /nfs/dbraw/zinc/13/55/67/500135567.db2.gz MTDINIIUXXAVTG-FQEVSTJZSA-N 2 0 360.546 3.243 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1)c1ccccc1 ZINC000416842041 500135603 /nfs/dbraw/zinc/13/56/03/500135603.db2.gz MOGJXAOBYJZFHI-LEWJYISDSA-N 2 0 372.557 3.243 20 0 FGADRP C[C@H]([NH3+])c1ccc(CNC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000416882402 500147257 /nfs/dbraw/zinc/14/72/57/500147257.db2.gz AYRTVPGAQRLXFW-KRWDZBQOSA-N 2 0 366.509 3.302 20 0 FGADRP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)NC[C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000417686443 500148606 /nfs/dbraw/zinc/14/86/06/500148606.db2.gz GLIZCQNMWRQUDV-ZHALLVOQSA-N 2 0 358.530 3.029 20 0 FGADRP CC[N@@H+]1CC[C@H]([NH+](C)CCOc2cccc(Br)c2)[C@H](C)C1 ZINC000429813587 500149247 /nfs/dbraw/zinc/14/92/47/500149247.db2.gz RRBAVGGMUXOYTB-PBHICJAKSA-N 2 0 355.320 3.490 20 0 FGADRP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)CC1 ZINC000417687391 500149494 /nfs/dbraw/zinc/14/94/94/500149494.db2.gz HRNDUHPUUITGGJ-FHWLQOOXSA-N 2 0 372.557 3.276 20 0 FGADRP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)CC1 ZINC000417687392 500149673 /nfs/dbraw/zinc/14/96/73/500149673.db2.gz HRNDUHPUUITGGJ-GUDVDZBRSA-N 2 0 372.557 3.276 20 0 FGADRP CC[NH2+]CC1CCN(C(=O)NC2CC[NH+]([C@H](C)c3ccccc3)CC2)CC1 ZINC000417699174 500151657 /nfs/dbraw/zinc/15/16/57/500151657.db2.gz YWVXHMDXDWLBCG-GOSISDBHSA-N 2 0 372.557 3.243 20 0 FGADRP CCc1ccccc1[C@H]([NH3+])CNC(=O)NCCCCC[NH+]1CCCCC1 ZINC000417699335 500151691 /nfs/dbraw/zinc/15/16/91/500151691.db2.gz FOUVQHRXUICTQT-HXUWFJFHSA-N 2 0 360.546 3.204 20 0 FGADRP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)NC[C@@H]([NH3+])c2ccccc2)CC1 ZINC000417698306 500151813 /nfs/dbraw/zinc/15/18/13/500151813.db2.gz XNDKZWHMRIIJKD-LAUBAEHRSA-N 2 0 366.509 3.211 20 0 FGADRP C[C@@H]([NH2+]C1(CNC(=O)NC[C@]2(C)CCC[NH2+]C2)CCCC1)c1ccccc1 ZINC000417710028 500153884 /nfs/dbraw/zinc/15/38/84/500153884.db2.gz UBYMDYYONOIYNC-WIYYLYMNSA-N 2 0 372.557 3.339 20 0 FGADRP CC[NH+]1CCN(CCC[NH2+][C@@H](c2ccc(OC)cc2F)C(C)C)CC1 ZINC000421819591 500158632 /nfs/dbraw/zinc/15/86/32/500158632.db2.gz HWZVNCIOXPCYOZ-HXUWFJFHSA-N 2 0 351.510 3.149 20 0 FGADRP CC(C)C[NH+]1CCC(NC(=O)NC[C@@H]([NH3+])c2ccc(C(C)C)cc2)CC1 ZINC000416935550 500160725 /nfs/dbraw/zinc/16/07/25/500160725.db2.gz GPMMMQHCFORONE-HXUWFJFHSA-N 2 0 360.546 3.229 20 0 FGADRP CCC[NH+]1CCC(NC(=O)N[C@@H](C[NH3+])c2ccc3ccccc3c2)CC1 ZINC000417743841 500162279 /nfs/dbraw/zinc/16/22/79/500162279.db2.gz DHGJAMVBXPVYIH-FQEVSTJZSA-N 2 0 354.498 3.013 20 0 FGADRP [NH3+]CCCNC(=O)NCc1ccccc1-c1ccc(C[NH+]2CCCC2)cc1 ZINC000416947936 500164167 /nfs/dbraw/zinc/16/41/67/500164167.db2.gz BUKVBJPFCJPATF-UHFFFAOYSA-N 2 0 366.509 3.097 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CSc3ccccc3O2)[C@H](C)C1 ZINC000582300864 506180419 /nfs/dbraw/zinc/18/04/19/506180419.db2.gz GXACUPFIUHHUMF-KURKYZTESA-N 2 0 364.555 3.266 20 0 FGADRP C[C@@H]1CCN(C(=O)NCc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)C[C@H]1C[NH3+] ZINC000416975494 500172786 /nfs/dbraw/zinc/17/27/86/500172786.db2.gz MVNXMUMIHQZPBB-DBXWQHBBSA-N 2 0 372.557 3.187 20 0 FGADRP C[C@@H](CCCC[NH3+])NC(=O)NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000416984259 500174909 /nfs/dbraw/zinc/17/49/09/500174909.db2.gz XZSFWJXBJKAPAJ-ROUUACIJSA-N 2 0 360.546 3.378 20 0 FGADRP [NH3+]C[C@H]1CC[C@H](CNC(=O)NCc2ccc(N3CCCCCC3)nc2)CC1 ZINC000416984075 500175247 /nfs/dbraw/zinc/17/52/47/500175247.db2.gz JVSFSXLRDVROIL-IYARVYRRSA-N 2 0 373.545 3.026 20 0 FGADRP C[C@H](CCCC[NH3+])NC(=O)NCc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000416987024 500176480 /nfs/dbraw/zinc/17/64/80/500176480.db2.gz JRPUFOIULDVKAY-CEXWTWQISA-N 2 0 374.573 3.481 20 0 FGADRP C[C@@H](CCCC[NH3+])NC(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000417003785 500181905 /nfs/dbraw/zinc/18/19/05/500181905.db2.gz VWQMQWURYOMWFO-YJBOKZPZSA-N 2 0 366.937 3.294 20 0 FGADRP COc1ccccc1-n1nccc1C[NH2+]CCCC[NH+]1CCC(C)CC1 ZINC000430023573 500182564 /nfs/dbraw/zinc/18/25/64/500182564.db2.gz XUDPLZVJHQFJOG-UHFFFAOYSA-N 2 0 356.514 3.483 20 0 FGADRP CC(C)C[C@H](CNC(=O)NC[C@@H]1CCC[NH2+]C1)[NH2+][C@@H](C)c1ccccc1 ZINC000417864944 500187078 /nfs/dbraw/zinc/18/70/78/500187078.db2.gz BTMRXAJKWKXSGP-NLWGTHIKSA-N 2 0 360.546 3.051 20 0 FGADRP CCCC[N@H+](CC)Cc1cccc(CNC(=O)N2C[C@H](C[NH3+])C[C@H]2C)c1 ZINC000417874487 500189162 /nfs/dbraw/zinc/18/91/62/500189162.db2.gz KLRLDQJJBLNAEG-XLIONFOSSA-N 2 0 360.546 3.187 20 0 FGADRP CC(C)C[C@H](CNC(=O)NCC[C@@H]1CC[NH2+]C1)[NH2+][C@@H](C)c1ccccc1 ZINC000417876244 500189272 /nfs/dbraw/zinc/18/92/72/500189272.db2.gz OTFWLTMUAUBHQA-CMKODMSKSA-N 2 0 360.546 3.051 20 0 FGADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]C[C@H](O)COCc2ccc(Cl)cc2)C1 ZINC000579463573 506181559 /nfs/dbraw/zinc/18/15/59/506181559.db2.gz ZXKCJLAYUOQHHF-QUCCMNQESA-N 2 0 368.949 3.175 20 0 FGADRP CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@@H](CCC[NH3+])c1ccccc1 ZINC000417920682 500198383 /nfs/dbraw/zinc/19/83/83/500198383.db2.gz QRAXMYNEWGRAIW-UXHICEINSA-N 2 0 360.546 3.276 20 0 FGADRP C[C@H](CCCC[NH3+])NC(=O)NCC[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000417935568 500200548 /nfs/dbraw/zinc/20/05/48/500200548.db2.gz ZTAXVFXDINNKLP-GGPKGHCWSA-N 2 0 360.546 3.104 20 0 FGADRP CC(C)N1CC[C@H](NC(=O)N[C@@H](C)[C@H](C)[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000418009732 500213659 /nfs/dbraw/zinc/21/36/59/500213659.db2.gz SCTZEHJKSQLGIK-SYWGBEHUSA-N 2 0 370.900 3.038 20 0 FGADRP COCC1(C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CCOCC1 ZINC000425950065 500215802 /nfs/dbraw/zinc/21/58/02/500215802.db2.gz IRIVXZBTDZGXCO-FDFHNCONSA-N 2 0 372.553 3.320 20 0 FGADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H]1CCN(Cc2ccccc2)C2(CC2)C1 ZINC000579472096 506182943 /nfs/dbraw/zinc/18/29/43/506182943.db2.gz AEDNCSGNHCDAQY-RTWAWAEBSA-N 2 0 359.558 3.130 20 0 FGADRP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)NCC1([NH3+])CCCCC1 ZINC000418151961 500238306 /nfs/dbraw/zinc/23/83/06/500238306.db2.gz GINFAGGSEGIZML-LJQANCHMSA-N 2 0 372.557 3.248 20 0 FGADRP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000418154267 500238716 /nfs/dbraw/zinc/23/87/16/500238716.db2.gz JMVSLZZKZNFCOJ-VQTJNVASSA-N 2 0 372.557 3.119 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)NC2CCC([NH+](C)C)CC2)C1 ZINC000422247637 500240951 /nfs/dbraw/zinc/24/09/51/500240951.db2.gz XJLPULCYABDEMQ-ZMTPEHOPSA-N 2 0 364.578 3.155 20 0 FGADRP C[C@H]([NH3+])c1ccc(CNC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)cc1 ZINC000418191377 500246257 /nfs/dbraw/zinc/24/62/57/500246257.db2.gz KPLMVJQKGVKEGA-XGHQBKJUSA-N 2 0 366.509 3.169 20 0 FGADRP CC[NH2+]CC1CC[NH+](CCC(=O)Nc2cccc(Br)c2)CC1 ZINC000430545945 500252073 /nfs/dbraw/zinc/25/20/73/500252073.db2.gz RLFKRHKUSUMOPR-UHFFFAOYSA-N 2 0 368.319 3.099 20 0 FGADRP [NH3+]C[C@@H](NC(=O)NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)C1CCCC1 ZINC000418227612 500252826 /nfs/dbraw/zinc/25/28/26/500252826.db2.gz AAACMSDDLFTBHC-PZJWPPBQSA-N 2 0 372.557 3.105 20 0 FGADRP CCN(CCC[NH+]1CCCC1)C(=O)NC[C@@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000418348213 500266739 /nfs/dbraw/zinc/26/67/39/500266739.db2.gz IVOUXZBCTNXQIF-HXUWFJFHSA-N 2 0 360.546 3.327 20 0 FGADRP CC(C)c1ccc([C@@H]([NH3+])CNC(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)cc1 ZINC000418352611 500266932 /nfs/dbraw/zinc/26/69/32/500266932.db2.gz MUNSWDDDQYWDCW-RTWAWAEBSA-N 2 0 372.557 3.470 20 0 FGADRP [NH3+]C[C@@H](NC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1)C1CCCCC1 ZINC000418371414 500269796 /nfs/dbraw/zinc/26/97/96/500269796.db2.gz XNATXEGVCREEBC-AZUAARDMSA-N 2 0 364.578 3.192 20 0 FGADRP CCCC[C@H](C[NH3+])NC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000418456961 500278873 /nfs/dbraw/zinc/27/88/73/500278873.db2.gz DEQYNNLALYGQHD-NJYVYQBISA-N 2 0 372.557 3.200 20 0 FGADRP C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)[C@H](C[NH3+])c2ccccc2)C1 ZINC000430749417 500279245 /nfs/dbraw/zinc/27/92/45/500279245.db2.gz JNOALMZWHSKYBZ-PGRDOPGGSA-N 2 0 365.521 3.277 20 0 FGADRP C[C@@H]1C[C@H](C)[N@H+](CCC(=O)Nc2ccc(Br)cc2)C[C@H]1C[NH3+] ZINC000422640952 500285110 /nfs/dbraw/zinc/28/51/10/500285110.db2.gz WPTCEWPSBLNAHS-HZSPNIEDSA-N 2 0 368.319 3.083 20 0 FGADRP Cc1ccc(-c2noc(CCC[N@@H+]3C[C@H](C[NH3+])[C@H](C)C[C@@H]3C)n2)cc1F ZINC000422641648 500285286 /nfs/dbraw/zinc/28/52/86/500285286.db2.gz YETDHZWQKPNBKH-VYDXJSESSA-N 2 0 360.477 3.422 20 0 FGADRP c1ccc2[nH]c(CCC[NH2+][C@H]3C[C@@]4(CC[NH2+]C4)Oc4ccccc43)nc2c1 ZINC000422699024 500287378 /nfs/dbraw/zinc/28/73/78/500287378.db2.gz CFHSYJFHMVEEKM-SIKLNZKXSA-N 2 0 362.477 3.341 20 0 FGADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]CCSCCOc1cccc(Br)c1 ZINC000422704326 500287742 /nfs/dbraw/zinc/28/77/42/500287742.db2.gz KJHVUYVLJREENO-CZUORRHYSA-N 2 0 373.360 3.278 20 0 FGADRP C[C@@H]([NH2+]C1CCN(Cc2cccc(C(F)(F)F)c2)CC1)[C@H]1CCC[NH2+]1 ZINC000422708507 500287835 /nfs/dbraw/zinc/28/78/35/500287835.db2.gz IXFKZTDDOQQHEL-RDTXWAMCSA-N 2 0 355.448 3.400 20 0 FGADRP COCC[N@H+](C)CC[C@H](N[C@@H]1C[C@@H]([NH3+])c2ccccc21)c1ccccc1 ZINC000422707514 500287856 /nfs/dbraw/zinc/28/78/56/500287856.db2.gz AGQHYBXSFIAMJO-BHIFYINESA-N 2 0 353.510 3.430 20 0 FGADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)NCC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC000422704686 500288016 /nfs/dbraw/zinc/28/80/16/500288016.db2.gz QFZSTNJQOSLAFP-PGRDOPGGSA-N 2 0 351.538 3.371 20 0 FGADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCN(c2ccccc2Br)C1 ZINC000422711481 500288675 /nfs/dbraw/zinc/28/86/75/500288675.db2.gz MSMIXQCURJUGGK-SQWLQELKSA-N 2 0 352.320 3.135 20 0 FGADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000422719271 500289306 /nfs/dbraw/zinc/28/93/06/500289306.db2.gz YFWXEYVNZCPNOF-LXZKKBNFSA-N 2 0 352.320 3.135 20 0 FGADRP O=C(NCc1ccc2c(c1)C[NH2+]C2)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000418550290 500290691 /nfs/dbraw/zinc/29/06/91/500290691.db2.gz GSOAFNDVOKXLCQ-LJQANCHMSA-N 2 0 370.541 3.087 20 0 FGADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000422734022 500291255 /nfs/dbraw/zinc/29/12/55/500291255.db2.gz BZALKJQPVDROFO-WIYYLYMNSA-N 3 0 359.558 3.044 20 0 FGADRP FC(F)(F)c1ccc(CN2CC[C@H]([NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)cc1 ZINC000422734165 500291328 /nfs/dbraw/zinc/29/13/28/500291328.db2.gz SCWPBIMMGCMFOA-KTGAGVNESA-N 2 0 353.432 3.152 20 0 FGADRP [NH3+]CC1CCC([NH2+][C@@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)CC1 ZINC000422737705 500292527 /nfs/dbraw/zinc/29/25/27/500292527.db2.gz XSJAJDHZTUDJKF-IUPXNIOVSA-N 2 0 355.448 3.387 20 0 FGADRP C[C@@H]([NH2+]C1(CN[C@@H](C)c2c[nH+]ccc2N)CCOCC1)c1ccccc1 ZINC000422759371 500294440 /nfs/dbraw/zinc/29/44/40/500294440.db2.gz JVRYRIUETHUXQM-SJORKVTESA-N 2 0 354.498 3.045 20 0 FGADRP Fc1ccc(N2CCOCC2)c(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)c1 ZINC000422789528 500297983 /nfs/dbraw/zinc/29/79/83/500297983.db2.gz UACDBWNQHCMSAR-SLFFLAALSA-N 2 0 361.505 3.063 20 0 FGADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]C[C@H](CO)Cc1c(F)cccc1Cl ZINC000422797249 500299082 /nfs/dbraw/zinc/29/90/82/500299082.db2.gz LRMNXLHUQGUPOQ-YYFZDKIDSA-N 2 0 364.892 3.178 20 0 FGADRP CCOC(=O)C1([C@@H](C)[NH2+]Cc2ccc(-c3cccnc3)cc2)CC[NH2+]CC1 ZINC000422801890 500299769 /nfs/dbraw/zinc/29/97/69/500299769.db2.gz CLTRETZLZJUJSY-QGZVFWFLSA-N 2 0 367.493 3.160 20 0 FGADRP c1ccc2c(c1)CCN2CCC[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422812333 500301125 /nfs/dbraw/zinc/30/11/25/500301125.db2.gz XLMLBYNMBVGGRT-NZQKXSOJSA-N 2 0 363.505 3.285 20 0 FGADRP CC[C@@H]([NH2+]CCCOC1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCC[NH2+]1 ZINC000422821814 500302990 /nfs/dbraw/zinc/30/29/90/500302990.db2.gz YQEUXGHMCZMIML-YADHBBJMSA-N 3 0 359.558 3.178 20 0 FGADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CCC(=O)Nc1cccc(Cl)c1C ZINC000422858207 500306552 /nfs/dbraw/zinc/30/65/52/500306552.db2.gz IBHIOFZHFZPJFY-ZDUSSCGKSA-N 2 0 360.889 3.490 20 0 FGADRP Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)c(OC[C@@H]2CCOC2)c1 ZINC000422866625 500307144 /nfs/dbraw/zinc/30/71/44/500307144.db2.gz QYYAKFXWPSPHPT-AYWYSENESA-N 2 0 358.526 3.421 20 0 FGADRP C[NH2+]CC1CC[NH+]([C@H](C)C(=O)N[C@@H](C)c2ccc3ccccc3c2)CC1 ZINC000430928989 500308467 /nfs/dbraw/zinc/30/84/67/500308467.db2.gz VXXCIBUUMVXLPA-DLBZAZTESA-N 2 0 353.510 3.337 20 0 FGADRP COc1ccc(CC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1OC(F)F ZINC000422877580 500309600 /nfs/dbraw/zinc/30/96/00/500309600.db2.gz IBXNTEPDAWGLAJ-XHSDSOJGSA-N 2 0 354.441 3.349 20 0 FGADRP COc1ccc(CC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)cc1OC(F)F ZINC000422877579 500309646 /nfs/dbraw/zinc/30/96/46/500309646.db2.gz IBXNTEPDAWGLAJ-OAGGEKHMSA-N 2 0 354.441 3.349 20 0 FGADRP c1ccc2c(c1)OCC[C@@H]2C[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422882102 500310214 /nfs/dbraw/zinc/31/02/14/500310214.db2.gz AFIFCONBBGSBMM-WVBUVRCRSA-N 2 0 350.462 3.398 20 0 FGADRP C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)NC[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000418716629 500311828 /nfs/dbraw/zinc/31/18/28/500311828.db2.gz JGFNRWJMCRUZLD-RTWAWAEBSA-N 2 0 372.557 3.058 20 0 FGADRP CC[C@H](C)NC(=O)c1cccc(C[NH2+][C@@H](C)c2ccc(C[NH3+])nc2C)c1 ZINC000422893481 500312077 /nfs/dbraw/zinc/31/20/77/500312077.db2.gz QSPHQIYJYQMUIS-GJZGRUSLSA-N 2 0 354.498 3.228 20 0 FGADRP C[C@H]1C[N@H+](CCC(=O)Nc2ccc(Oc3ccccc3)cc2)CC[C@H]1[NH3+] ZINC000430961162 500313815 /nfs/dbraw/zinc/31/38/15/500313815.db2.gz MTCUBIRLQAPCOE-OXJNMPFZSA-N 2 0 353.466 3.477 20 0 FGADRP Fc1ccc(CN2CCC[C@@H]([NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)c(Cl)c1 ZINC000422904640 500314151 /nfs/dbraw/zinc/31/41/51/500314151.db2.gz HEIJXQQTJDVGCC-SOABOVLPSA-N 2 0 351.897 3.316 20 0 FGADRP [NH3+][C@@H]1C[C@H](NCc2ccc(OCC[NH+]3CCCC3)cc2)c2ccccc21 ZINC000422908941 500315162 /nfs/dbraw/zinc/31/51/62/500315162.db2.gz DXZGFSJKPZGWCR-YADHBBJMSA-N 2 0 351.494 3.396 20 0 FGADRP CCOc1ccc([C@H](C)NC(=O)CCC[NH2+][C@@H]2CCCC[C@H]2C[NH3+])cc1 ZINC000422930735 500319197 /nfs/dbraw/zinc/31/91/97/500319197.db2.gz VRVBLBOXWTVMBI-XKGZKEIXSA-N 2 0 361.530 3.150 20 0 FGADRP C[C@H]([NH2+]C[C@H]1CCN(c2ccc(Br)cc2)C1)[C@@H]1CCC[NH2+]1 ZINC000422942058 500320925 /nfs/dbraw/zinc/32/09/25/500320925.db2.gz JYOUBAGZYGRITE-VBQJREDUSA-N 2 0 352.320 3.006 20 0 FGADRP Cc1ccc(NC(=O)COc2ccc(CC[NH2+][C@@H]3CCC[C@@H]3[NH3+])cc2)cc1 ZINC000422938467 500319653 /nfs/dbraw/zinc/31/96/53/500319653.db2.gz PPLPKUJSWVPSJC-LEWJYISDSA-N 2 0 367.493 3.024 20 0 FGADRP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000418768411 500320871 /nfs/dbraw/zinc/32/08/71/500320871.db2.gz MBHMTWDGFKYZRI-NHCUHLMSSA-N 2 0 372.557 3.072 20 0 FGADRP CC(C)n1cc2c(n1)C[C@H]([NH2+][C@@H]1C[C@]3(CC[NH2+]C3)Oc3ccccc31)CC2 ZINC000422948110 500321862 /nfs/dbraw/zinc/32/18/62/500321862.db2.gz ZSBAOIZRACZICI-ZNLUXHQJSA-N 2 0 366.509 3.167 20 0 FGADRP C[C@H](C(=O)Nc1ccc(Cl)c(Cl)c1)[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000431012495 500322806 /nfs/dbraw/zinc/32/28/06/500322806.db2.gz FLYWTPOFLQQCPO-GFCCVEGCSA-N 2 0 356.297 3.396 20 0 FGADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C1CCN(C(=O)NC2CCCCC2)CC1 ZINC000422952643 500323330 /nfs/dbraw/zinc/32/33/30/500323330.db2.gz BTEQAAPJWRUWSR-OAHLLOKOSA-N 2 0 373.545 3.006 20 0 FGADRP C[NH+](C)C1CCN(c2ccc(N[C@@H]3CCC[C@H]3[C@@H]3CCCC[NH2+]3)nc2)CC1 ZINC000422958038 500324044 /nfs/dbraw/zinc/32/40/44/500324044.db2.gz WUAWNCHLDBYODE-PCCBWWKXSA-N 2 0 371.573 3.335 20 0 FGADRP C[C@@H](C[C@H]1COCCN1)[NH2+]Cc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000422964280 500324710 /nfs/dbraw/zinc/32/47/10/500324710.db2.gz IDQKPOKTBGKRGZ-AVRDEDQJSA-N 2 0 367.537 3.272 20 0 FGADRP C[NH2+]C[C@@H](C)C(=O)N(CC[N@H+](C)Cc1ccccc1)Cc1ccccc1 ZINC000431030887 500326099 /nfs/dbraw/zinc/32/60/99/500326099.db2.gz SNDFZFPMVSEUBZ-LJQANCHMSA-N 2 0 353.510 3.003 20 0 FGADRP CC(C)C[N@@H+]1CCCC[C@@H]1CN[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422991496 500328325 /nfs/dbraw/zinc/32/83/25/500328325.db2.gz BHHSZXCMQWEOLL-KAGYGMCKSA-N 2 0 357.542 3.342 20 0 FGADRP Cc1cc(Br)cn2cc(C[NH2+][C@H]3CCCC[C@@H]3C[NH3+])nc12 ZINC000423035170 500333317 /nfs/dbraw/zinc/33/33/17/500333317.db2.gz JDBMLNWRVHJXHT-DOMZBBRYSA-N 2 0 351.292 3.012 20 0 FGADRP OC[C@@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000423036483 500333719 /nfs/dbraw/zinc/33/37/19/500333719.db2.gz UDHWTVYBLSJQGL-WBADGQHESA-N 3 0 371.569 3.044 20 0 FGADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000423036789 500333772 /nfs/dbraw/zinc/33/37/72/500333772.db2.gz UUQWOMIHEJSJMC-COPCDDAFSA-N 3 0 359.558 3.044 20 0 FGADRP Cn1cc(CC[NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)c2ccc(Cl)cc21 ZINC000423064108 500337524 /nfs/dbraw/zinc/33/75/24/500337524.db2.gz QLASPXQVAKGYOQ-GBESFXJTSA-N 2 0 361.917 3.121 20 0 FGADRP CCOC(=O)C1([C@@H](C)[NH2+]C[C@@H](c2ccccc2)C(F)(F)F)CC[NH2+]CC1 ZINC000423062779 500337532 /nfs/dbraw/zinc/33/75/32/500337532.db2.gz NQAWVIPJBYKSSZ-ZBFHGGJFSA-N 2 0 372.431 3.244 20 0 FGADRP COC(=O)c1csc(-c2cccc(C[NH2+][C@@H]3CCCCC[C@H]3[NH3+])c2)n1 ZINC000423082205 500339720 /nfs/dbraw/zinc/33/97/20/500339720.db2.gz WMMNAMOKEHYHOO-HZPDHXFCSA-N 2 0 359.495 3.346 20 0 FGADRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CCCCn1cc(Br)cn1 ZINC000423086523 500340490 /nfs/dbraw/zinc/34/04/90/500340490.db2.gz NLIVSRDBTGVUFU-HOCLYGCPSA-N 2 0 357.340 3.326 20 0 FGADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@H]1CCCN(C(=O)Cc2ccccc2)C1 ZINC000423108210 500342975 /nfs/dbraw/zinc/34/29/75/500342975.db2.gz FSIWKNDEEGDSQU-GIVPXCGWSA-N 2 0 357.542 3.121 20 0 FGADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000423126585 500346079 /nfs/dbraw/zinc/34/60/79/500346079.db2.gz BBUBMADODMESMN-BDTNDASRSA-N 3 0 371.569 3.022 20 0 FGADRP O=S(=O)(CCC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)c1ccc(Cl)cc1 ZINC000423143882 500347654 /nfs/dbraw/zinc/34/76/54/500347654.db2.gz FHNQFJYLTNNYCW-RCCFBDPRSA-N 2 0 370.946 3.014 20 0 FGADRP COc1cc(OC)c(C[C@H](C)[NH2+][C@H](C)c2ccc(C[NH3+])nc2C)c(OC)c1 ZINC000423151571 500348737 /nfs/dbraw/zinc/34/87/37/500348737.db2.gz CRQNZPGCMTWNCM-UONOGXRCSA-N 2 0 373.497 3.156 20 0 FGADRP CO[C@H](C[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)Cc1ccccc1 ZINC000423166016 500350801 /nfs/dbraw/zinc/35/08/01/500350801.db2.gz YXYXCXIQOCYKMB-CZTZKLFOSA-N 2 0 352.478 3.090 20 0 FGADRP Fc1cccc(C[C@@H]([NH2+]CCCN2CC[NH2+]CC2)c2cccc(F)c2)c1 ZINC000423174322 500351033 /nfs/dbraw/zinc/35/10/33/500351033.db2.gz AGCWVVPQQYJDMP-OAQYLSRUSA-N 2 0 359.464 3.134 20 0 FGADRP C[C@H]([NH2+]CCCN1CC[NH2+]CC1)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000423183070 500352404 /nfs/dbraw/zinc/35/24/04/500352404.db2.gz RCJBZRGEQBELDD-KBPBESRZSA-N 2 0 360.329 3.034 20 0 FGADRP COc1ccc([C@@H](Cc2ccc(F)cc2)[NH2+]CCCN2CC[NH2+]CC2)cc1 ZINC000423182675 500352802 /nfs/dbraw/zinc/35/28/02/500352802.db2.gz RBFABAFAETYVSM-JOCHJYFZSA-N 2 0 371.500 3.003 20 0 FGADRP C[C@@H]([NH2+]CC[C@H]1CC[NH2+]C1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000423252719 500358755 /nfs/dbraw/zinc/35/87/55/500358755.db2.gz UJVVTODGJBOLOZ-HZPDHXFCSA-N 2 0 350.528 3.053 20 0 FGADRP C[C@H]([NH2+]CC[C@H]1CCC[NH2+]C1)c1ccc(I)cc1 ZINC000423262512 500359293 /nfs/dbraw/zinc/35/92/93/500359293.db2.gz VOMCEEQYJPPDJX-QWHCGFSZSA-N 2 0 358.267 3.332 20 0 FGADRP C[C@H]([NH3+])c1ccc(C[NH2+][C@@H](C)[C@H](c2ccccc2)N2CCOCC2)cc1 ZINC000423290107 500361671 /nfs/dbraw/zinc/36/16/71/500361671.db2.gz CKHWPALETJETLQ-NPPFBWRTSA-N 2 0 353.510 3.258 20 0 FGADRP C[C@H]([NH2+][C@@H]1CCC[C@H]([NH3+])C1)c1ccc(F)c(I)c1 ZINC000423375622 500368224 /nfs/dbraw/zinc/36/82/24/500368224.db2.gz UKEZIVMQYYKVCD-ZMLRMANQSA-N 2 0 362.230 3.351 20 0 FGADRP CC[C@H]([NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc(Cl)s1 ZINC000423371061 500368200 /nfs/dbraw/zinc/36/82/00/500368200.db2.gz AGFVZXIGHUNLIO-JQWIXIFHSA-N 2 0 355.857 3.278 20 0 FGADRP CC(C)n1ccc(C[C@@H](C)[NH2+][C@H]2CNCC[C@@H]2c2ccc(F)c(F)c2)n1 ZINC000423372010 500368443 /nfs/dbraw/zinc/36/84/43/500368443.db2.gz QTJIBYWJDNIYDI-ZTQAJYAQSA-N 2 0 362.468 3.409 20 0 FGADRP C[C@H]([NH2+][C@H]1CC[NH2+]C[C@H]1C)c1ccc(F)c(I)c1 ZINC000423395818 500370405 /nfs/dbraw/zinc/37/04/05/500370405.db2.gz NPTJPSWAOAXBOL-BFVZDQMLSA-N 2 0 362.230 3.079 20 0 FGADRP COC[C@]1(CN[C@H]2CCCc3cc(Br)ccc32)CCC[NH2+]1 ZINC000423409932 500371813 /nfs/dbraw/zinc/37/18/13/500371813.db2.gz CNCRRPKWWHJBPK-DLBZAZTESA-N 2 0 353.304 3.185 20 0 FGADRP C[NH2+]CCc1ccccc1C(=O)N[C@@H](C)c1ccc(-n2ccnc2C)cc1 ZINC000423444381 500375452 /nfs/dbraw/zinc/37/54/52/500375452.db2.gz WRMNOCMEXYCORM-INIZCTEOSA-N 2 0 362.477 3.434 20 0 FGADRP C[C@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[NH2+][C@H](C)[C@H](C)[NH3+] ZINC000423457855 500375893 /nfs/dbraw/zinc/37/58/93/500375893.db2.gz GEXZUOLCNOJGOV-KXUCPTDWSA-N 2 0 351.800 3.401 20 0 FGADRP C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)C[C@H]2CCC[NH2+]CC2)C1 ZINC000427274243 500376188 /nfs/dbraw/zinc/37/61/88/500376188.db2.gz LJFGVDVAHCXIAH-MOPGFXCFSA-N 2 0 357.542 3.315 20 0 FGADRP Fc1ccc([C@@H]2CC[NH2+]C[C@@H]2C[NH2+][C@@H]2CCO[C@@H](C(F)(F)F)C2)cc1 ZINC000423476225 500377215 /nfs/dbraw/zinc/37/72/15/500377215.db2.gz QXODQAJTSUILJN-MXASKKJJSA-N 2 0 360.395 3.218 20 0 FGADRP COC(=O)C[C@@H]1CC[C@@H]([NH2+]C[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)[C@@H]1C ZINC000423481936 500378250 /nfs/dbraw/zinc/37/82/50/500378250.db2.gz XDGYXNYCUDYPPJ-SQRAORDBSA-N 2 0 362.489 3.086 20 0 FGADRP C[C@H](CCc1ccc(I)cc1)[NH2+][C@H]1CC[C@@H](C[NH3+])C1 ZINC000423501282 500379807 /nfs/dbraw/zinc/37/98/07/500379807.db2.gz JGMBDOQFHIJFAN-XPKDYRNWSA-N 2 0 372.294 3.329 20 0 FGADRP C[C@@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)c1cc(Br)cs1 ZINC000423511294 500380525 /nfs/dbraw/zinc/38/05/25/500380525.db2.gz ONQSRMKKJMBPJN-LRVUVFPRSA-N 2 0 372.376 3.378 20 0 FGADRP O=C(C[C@@H]1CCC[NH2+]CC1)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000427316726 500380596 /nfs/dbraw/zinc/38/05/96/500380596.db2.gz SRESXCQOKBLZPT-LBFURVHYSA-N 2 0 355.526 3.078 20 0 FGADRP Clc1ccc2c(c1)OCCC[C@H]2[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000423507563 500380624 /nfs/dbraw/zinc/38/06/24/500380624.db2.gz JOHNQWAUUWEJJH-FAFZWHIHSA-N 2 0 363.933 3.360 20 0 FGADRP Clc1cccc2c1OCCC[C@H]2[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000423512629 500381327 /nfs/dbraw/zinc/38/13/27/500381327.db2.gz PAAFOLZMVONURV-LADRWXRNSA-N 2 0 363.933 3.360 20 0 FGADRP CC(C)[C@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)c1cc(F)ccc1F ZINC000423518226 500381956 /nfs/dbraw/zinc/38/19/56/500381956.db2.gz ZFSBUJBVPIMSNK-UHYCVJNDSA-N 2 0 351.485 3.468 20 0 FGADRP COc1ccc2c(c1)C(C)(C)C[C@H]2[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000423525051 500382481 /nfs/dbraw/zinc/38/24/81/500382481.db2.gz XTCFYYITPZREOB-MYKUNDNFSA-N 2 0 357.542 3.224 20 0 FGADRP Clc1ccc2c(c1)[C@@H]([NH2+]C1CCC([NH+]3CCNCC3)CC1)CCCO2 ZINC000423526209 500382549 /nfs/dbraw/zinc/38/25/49/500382549.db2.gz ZBJRRYTVHGSGIJ-TVPLGVNVSA-N 2 0 363.933 3.360 20 0 FGADRP COc1cccc2c1CC[C@H]2[NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1 ZINC000423541248 500383736 /nfs/dbraw/zinc/38/37/36/500383736.db2.gz ANMVKRSBUZPKRF-OAQYLSRUSA-N 2 0 365.521 3.266 20 0 FGADRP CC(C)CO[C@H]1C[C@H]([NH2+]CC2(N)CC[NH+](Cc3ccccc3)CC2)C1(C)C ZINC000423561962 500384694 /nfs/dbraw/zinc/38/46/94/500384694.db2.gz KAHIMZZYLLFRGB-SFTDATJTSA-N 2 0 373.585 3.409 20 0 FGADRP CC1(C)CCC[NH2+][C@@H]1CNC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000423603141 500388116 /nfs/dbraw/zinc/38/81/16/500388116.db2.gz FWXRKWGQEMGJRJ-LJQANCHMSA-N 2 0 357.542 3.183 20 0 FGADRP C[C@H]([NH3+])c1ccc(C(=O)N(CC[NH+](C)C)Cc2ccc(F)c(F)c2)cc1 ZINC000423651646 500392514 /nfs/dbraw/zinc/39/25/14/500392514.db2.gz VZWZPTBRGWBCDA-AWEZNQCLSA-N 2 0 361.436 3.189 20 0 FGADRP CC[NH+](CC)C[C@H]1CCCC[C@H]1NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000431668730 500406085 /nfs/dbraw/zinc/40/60/85/500406085.db2.gz AWQMKUGNKOARGE-DZJYIKFMSA-N 2 0 364.578 3.202 20 0 FGADRP CC[NH+](CC)C[C@H]1CCCC[C@@H]1NC(=O)NCCC1CC[NH+](CC)CC1 ZINC000431687742 500409206 /nfs/dbraw/zinc/40/92/06/500409206.db2.gz RANLWBDMBASYNM-UXHICEINSA-N 2 0 366.594 3.308 20 0 FGADRP C[C@@H]1C[C@H](CCNC(=O)C[C@@H]2CCC[NH2+]CC2)C[N@@H+]1Cc1ccccc1 ZINC000423899459 500417457 /nfs/dbraw/zinc/41/74/57/500417457.db2.gz JETMBHPCQBOLFD-SBHAEUEKSA-N 2 0 357.542 3.183 20 0 FGADRP C[C@H](NC(=O)CCC[NH+]1CCC([NH3+])CC1)C1(c2ccccc2)CCCC1 ZINC000423896864 500417531 /nfs/dbraw/zinc/41/75/31/500417531.db2.gz VCTQRSQWBHSNEJ-SFHVURJKSA-N 2 0 357.542 3.206 20 0 FGADRP C[C@@H]1C[C@@H](CCNC(=O)[C@H]2[NH2+]CCCC2(C)C)C[N@@H+]1Cc1ccccc1 ZINC000423910734 500418568 /nfs/dbraw/zinc/41/85/68/500418568.db2.gz VERFXEGEKXWINU-MISYRCLQSA-N 2 0 357.542 3.182 20 0 FGADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H]2CCCc3c4cc(C)ccc4[nH]c32)CC1 ZINC000582352572 506194472 /nfs/dbraw/zinc/19/44/72/506194472.db2.gz MWYQBMDYCOCMSC-DYESRHJHSA-N 2 0 354.542 3.469 20 0 FGADRP C[NH+](C)CCOc1ccc(CNC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)cc1 ZINC000431763810 500421465 /nfs/dbraw/zinc/42/14/65/500421465.db2.gz XJURVKHHIKBGSY-NRFANRHFSA-N 2 0 373.541 3.040 20 0 FGADRP CSc1ccc([C@@H](CNC(=O)Nc2cc(C)ncc2C)[NH+](C)C)cc1 ZINC000573441746 506195099 /nfs/dbraw/zinc/19/50/99/506195099.db2.gz YIFPHPPTXNGENG-GOSISDBHSA-N 2 0 358.511 3.267 20 0 FGADRP COc1ccc([C@H](C[NH3+])C[N@@H+]2CCC[C@@H]2c2ccc3c(c2)OCCO3)cc1 ZINC000420297896 500436741 /nfs/dbraw/zinc/43/67/41/500436741.db2.gz DUCKEQGCTSGLCD-UYAOXDASSA-N 2 0 368.477 3.346 20 0 FGADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CCOc3cc(F)cc(Br)c3)C[C@@H]21 ZINC000420299949 500437012 /nfs/dbraw/zinc/43/70/12/500437012.db2.gz BYHRAXCUBGWFPG-XFBWCDHKSA-N 2 0 357.267 3.026 20 0 FGADRP COc1ccc([C@@H](C[NH3+])C[N@@H+]2CCC[C@@H]2c2cccc3c2OCCO3)cc1 ZINC000420302462 500437658 /nfs/dbraw/zinc/43/76/58/500437658.db2.gz MHXLPXVISYNZHL-FXAWDEMLSA-N 2 0 368.477 3.346 20 0 FGADRP COc1ccc([C@@H](C[NH3+])C[N@@H+]2CCC[C@@H](C(=O)c3ccc(F)cc3)C2)cc1 ZINC000420310534 500439078 /nfs/dbraw/zinc/43/90/78/500439078.db2.gz VDKVOJJWQUVEBU-MOPGFXCFSA-N 2 0 370.468 3.472 20 0 FGADRP Cn1ccnc1C[N@H+](C[C@@H]1CCCC(F)(F)C1)[C@@H]1CC12CC[NH2+]CC2 ZINC000420310106 500439123 /nfs/dbraw/zinc/43/91/23/500439123.db2.gz MBRHNOFAEMYDCX-HZPDHXFCSA-N 2 0 352.473 3.190 20 0 FGADRP C[C@@H]1SCC[N@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)[C@@H]1c1ccccc1 ZINC000420309898 500439320 /nfs/dbraw/zinc/43/93/20/500439320.db2.gz UIVMUUNRERRXKB-FIRPJDEBSA-N 2 0 356.535 3.096 20 0 FGADRP CCOC(=O)CCCC[N@H+](Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000420316470 500439893 /nfs/dbraw/zinc/43/98/93/500439893.db2.gz STZPEVLAEQSPRX-KRWDZBQOSA-N 2 0 350.528 3.426 20 0 FGADRP COc1ccc([C@H](C[NH3+])CN2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)cc1 ZINC000420316690 500440144 /nfs/dbraw/zinc/44/01/44/500440144.db2.gz MDZLZQYCXBWXJX-QKNQBKEWSA-N 2 0 359.558 3.324 20 0 FGADRP Cc1cccc(C(=O)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)c1C ZINC000424035809 500440613 /nfs/dbraw/zinc/44/06/13/500440613.db2.gz GHFWKEGYCDAOSA-UHFFFAOYSA-N 2 0 351.494 3.027 20 0 FGADRP COc1ccc(-c2noc([C@H](C)[N@@H+]3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)n2)cc1 ZINC000420326415 500442093 /nfs/dbraw/zinc/44/20/93/500442093.db2.gz JXCNZIWXSBAQIV-UAGQMJEPSA-N 2 0 356.470 3.128 20 0 FGADRP c1cn2c(n1)C[C@@H]([NH2+][C@H]1CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]31)CC2 ZINC000427884788 500442642 /nfs/dbraw/zinc/44/26/42/500442642.db2.gz HEESBUKEVJTIPN-TUFLPTIASA-N 2 0 350.510 3.088 20 0 FGADRP C[C@@H](NC(=O)C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1)c1ccc2c(c1)CCCC2 ZINC000420337856 500444019 /nfs/dbraw/zinc/44/40/19/500444019.db2.gz KFGZQHHSGGEYET-VGSWGCGISA-N 2 0 369.553 3.207 20 0 FGADRP CC(C)C[C@H](NC(=O)C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1)c1ccccc1 ZINC000420340149 500444892 /nfs/dbraw/zinc/44/48/92/500444892.db2.gz MSOOQJBYQJNIEX-ACRUOGEOSA-N 2 0 357.542 3.212 20 0 FGADRP C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420344764 500445196 /nfs/dbraw/zinc/44/51/96/500445196.db2.gz USAWKPGUGGITET-UPJWGTAASA-N 2 0 356.297 3.252 20 0 FGADRP CCC[C@H](NC(=O)[C@H](C)[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1)c1ccccc1 ZINC000420344272 500445554 /nfs/dbraw/zinc/44/55/54/500445554.db2.gz SJOISRKNTJAWFA-VMXMFDLUSA-N 2 0 357.542 3.354 20 0 FGADRP C[C@H](NC(=O)C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1)c1cccc2ccccc21 ZINC000420343865 500445780 /nfs/dbraw/zinc/44/57/80/500445780.db2.gz RPVVPQLKBYAJLU-JTSKRJEESA-N 2 0 365.521 3.481 20 0 FGADRP [NH3+][C@H]1CCCO[C@H]1C1CC[NH+](CCOc2ccc(Cl)c(F)c2)CC1 ZINC000420367904 500448508 /nfs/dbraw/zinc/44/85/08/500448508.db2.gz AJFJBBXBTMPYIY-ROUUACIJSA-N 2 0 356.869 3.076 20 0 FGADRP CC(C)(C)c1ccc(OCCC[N@@H+]2CCC[C@H](n3cc(C[NH3+])nn3)C2)cc1 ZINC000420374934 500449865 /nfs/dbraw/zinc/44/98/65/500449865.db2.gz IDSZLSGZWWTTAE-IBGZPJMESA-N 2 0 371.529 3.140 20 0 FGADRP [NH3+][C@H]1CCCO[C@H]1C1CC[NH+](CCOc2ccccc2C(F)(F)F)CC1 ZINC000420381890 500451561 /nfs/dbraw/zinc/45/15/61/500451561.db2.gz PFUYLYHLHAPLHC-WMZOPIPTSA-N 2 0 372.431 3.303 20 0 FGADRP C[C@H]1CCC[N@H+](Cc2ccccc2C[NH2+][C@@H]2CCN(C(C)(C)C)C2=O)C1 ZINC000424116558 500456376 /nfs/dbraw/zinc/45/63/76/500456376.db2.gz XMDCLCFYOFJSSM-FXAWDEMLSA-N 2 0 357.542 3.408 20 0 FGADRP CC(C)c1ccc([C@H](C)[N@@H+]2CC[C@@H]3[C@H](C2)NC(=O)N3C2CC[NH2+]CC2)cc1 ZINC000420411136 500457459 /nfs/dbraw/zinc/45/74/59/500457459.db2.gz XFJYUQMEDIBUQO-ORYQWCPZSA-N 2 0 370.541 3.091 20 0 FGADRP COc1ccc([C@H](C[NH3+])C[NH2+][C@H](C)c2cccc(-n3cccn3)c2)cc1 ZINC000420421317 500458000 /nfs/dbraw/zinc/45/80/00/500458000.db2.gz YQPHKLVTTJYFEW-VQIMIIECSA-N 2 0 350.466 3.274 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)NCC1CC[NH+](C2CC2)CC1)c1ccccc1 ZINC000428146795 500474552 /nfs/dbraw/zinc/47/45/52/500474552.db2.gz CGUMJBVFKIEICB-NRFANRHFSA-N 2 0 372.557 3.243 20 0 FGADRP CC(C)[C@@H](C[NH2+][C@@H](Cc1ccncc1)c1cccs1)N1CC[NH+](C)CC1 ZINC000424259525 500476670 /nfs/dbraw/zinc/47/66/70/500476670.db2.gz CSWXFHATOBTUKE-VQTJNVASSA-N 2 0 372.582 3.289 20 0 FGADRP C[C@@H]1CC2(C[N@@H+]1CCC(=O)N[C@H]1CCCc3ccccc31)CC[NH2+]CC2 ZINC000424301162 500483093 /nfs/dbraw/zinc/48/30/93/500483093.db2.gz XHHLCPNPYQRNCE-XLIONFOSSA-N 2 0 355.526 3.034 20 0 FGADRP C[C@@H]1CC2(C[N@@H+]1CC(=O)N1CC[C@H](C)Sc3ccccc31)CC[NH2+]CC2 ZINC000424298988 500483166 /nfs/dbraw/zinc/48/31/66/500483166.db2.gz VENKZJICLSBITB-SJORKVTESA-N 2 0 373.566 3.368 20 0 FGADRP C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000424362365 500491976 /nfs/dbraw/zinc/49/19/76/500491976.db2.gz AARPWULMEAECKT-KCPJHIHWSA-N 2 0 359.392 3.162 20 0 FGADRP COc1ccc(C[N@@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)cc1Br ZINC000424380651 500494519 /nfs/dbraw/zinc/49/45/19/500494519.db2.gz QDBZWAFELRMXFR-CYBMUJFWSA-N 2 0 353.304 3.422 20 0 FGADRP C[C@H]1C[N@H+](CCCNCC(C)(C)C[NH+](C)Cc2ccccc2)CCCO1 ZINC000432353480 500503855 /nfs/dbraw/zinc/50/38/55/500503855.db2.gz MELAOFXNUCLJBK-FQEVSTJZSA-N 2 0 361.574 3.235 20 0 FGADRP Cc1cc(C[NH3+])cc(NC(=O)NC[C@H](C)[N@@H+]2CCc3ccccc3C2)c1 ZINC000424440995 500506197 /nfs/dbraw/zinc/50/61/97/500506197.db2.gz WBIGKKGJRGJBOS-INIZCTEOSA-N 2 0 352.482 3.022 20 0 FGADRP CCCc1nc(C)c(CN(C)C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)o1 ZINC000428433279 500509461 /nfs/dbraw/zinc/50/94/61/500509461.db2.gz GYEHVMHWURAGKB-OAQYLSRUSA-N 2 0 357.498 3.004 20 0 FGADRP OCC[C@H]1CCC[NH+](CCCCC[N@H+]2CCC[C@H](CCO)CC2)CC1 ZINC000421020640 500556104 /nfs/dbraw/zinc/55/61/04/500556104.db2.gz RIJPEFXORBKODN-SFTDATJTSA-N 2 0 354.579 3.126 20 0 FGADRP CC(C)[C@@H](CNC(=O)NC1CCC(C[NH+](C)C)CC1)[NH+]1CCCCCC1 ZINC000442234028 500573975 /nfs/dbraw/zinc/57/39/75/500573975.db2.gz NJZLPYWRGNNLNM-SOAGJPPSSA-N 2 0 366.594 3.307 20 0 FGADRP CC[NH+](CC)[C@H](C(=O)N[C@@H]1CC[NH2+][C@H](C)C1)c1cccc(C(F)(F)F)c1 ZINC000447514973 500615174 /nfs/dbraw/zinc/61/51/74/500615174.db2.gz AHSOYSJPLXGBRF-XYPHTWIQSA-N 2 0 371.447 3.345 20 0 FGADRP C[C@@H]1C[N@@H+](Cc2ccccc2C[NH2+][C@H]2[C@@H]3CCO[C@@H]3C2(C)C)C[C@H](C)O1 ZINC000447535291 500619717 /nfs/dbraw/zinc/61/97/17/500619717.db2.gz DZTBZXOJANZEFV-LPKWFMKBSA-N 2 0 358.526 3.199 20 0 FGADRP CC[NH+]1CCC(CNC(=O)[C@@]23CCC[C@@H]2C[N@H+](Cc2ccccc2)C3)CC1 ZINC000576660118 506206995 /nfs/dbraw/zinc/20/69/95/506206995.db2.gz OQAUBDKPBFBNQP-FYYLOGMGSA-N 2 0 369.553 3.137 20 0 FGADRP C[C@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)c1ccc(Br)cc1F ZINC000442877613 500638980 /nfs/dbraw/zinc/63/89/80/500638980.db2.gz RHEPIPURXYMDFP-ZDUSSCGKSA-N 2 0 372.326 3.265 20 0 FGADRP NC(=O)[C@H](c1ccccc1)[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433180903 500640548 /nfs/dbraw/zinc/64/05/48/500640548.db2.gz WIQAAHJGAZQBGU-NRFANRHFSA-N 2 0 363.505 3.201 20 0 FGADRP C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000447987567 500701626 /nfs/dbraw/zinc/70/16/26/500701626.db2.gz LBVJZPDEVWCPDJ-FQEVSTJZSA-N 2 0 372.557 3.202 20 0 FGADRP C[C@H]1CC[N@H+](CCOc2ccc(NC(=O)C[C@@H]([NH3+])c3ccccc3)cc2)C1 ZINC000448235573 500737240 /nfs/dbraw/zinc/73/72/40/500737240.db2.gz YUQMQFADIXRUHY-LAUBAEHRSA-N 2 0 367.493 3.436 20 0 FGADRP C[C@H](C(=O)NCCc1ccccc1)[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000443598519 500743997 /nfs/dbraw/zinc/74/39/97/500743997.db2.gz BXTXOXRFIKXDEC-HXUWFJFHSA-N 2 0 371.569 3.322 20 0 FGADRP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)NC[C@@H]2CCC[NH+]2C2CCCCC2)C1 ZINC000438141683 500744592 /nfs/dbraw/zinc/74/45/92/500744592.db2.gz KSRAMPPELUTRND-ICSRJNTNSA-N 2 0 364.578 3.203 20 0 FGADRP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)N2CC[NH+](C3CCCCC3)CC2)C1 ZINC000448469125 500762379 /nfs/dbraw/zinc/76/23/79/500762379.db2.gz XRAVWHXWRBSFRM-IBGZPJMESA-N 2 0 364.578 3.014 20 0 FGADRP O=C(NCc1ccc(C[NH+]2CCCC2)cc1)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000433945575 500768950 /nfs/dbraw/zinc/76/89/50/500768950.db2.gz IKEGBOGMBRMBKU-NRFANRHFSA-N 2 0 370.541 3.099 20 0 FGADRP Cc1ccc(C[NH2+][C@@H](Cc2ccccc2)C(=O)NCC[NH+](C)C)cc1Cl ZINC000443987865 500787641 /nfs/dbraw/zinc/78/76/41/500787641.db2.gz YGINKPOOHHBENA-FQEVSTJZSA-N 2 0 373.928 3.027 20 0 FGADRP CC(C)[C@@H]1CC[N@@H+]([C@@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000438482294 500790988 /nfs/dbraw/zinc/79/09/88/500790988.db2.gz KSTXEWDGBMMXJK-AZUAARDMSA-N 2 0 357.542 3.134 20 0 FGADRP CC1CC[NH+](C[C@H]2CCCN(C(=O)[C@@H]3CCC[N@@H+]3C3CCCC3)C2)CC1 ZINC000438565366 500802556 /nfs/dbraw/zinc/80/25/56/500802556.db2.gz CFEFOFZGMXESHV-CTNGQTDRSA-N 2 0 361.574 3.364 20 0 FGADRP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3cc4ccccc4cc3OC)C2)CC1 ZINC000449023802 500901471 /nfs/dbraw/zinc/90/14/71/500901471.db2.gz UZCGSESDWHDBTL-NRFANRHFSA-N 2 0 353.510 3.060 20 0 FGADRP CC(C)[C@@H](C[NH2+]C1CC[NH+]([C@H](C)Cc2ccccc2)CC1)N1CCOCC1 ZINC000449070437 500917284 /nfs/dbraw/zinc/91/72/84/500917284.db2.gz KFCMFEOYUKDDBR-NFBKMPQASA-N 2 0 373.585 3.028 20 0 FGADRP C[C@@H](C[NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000449081673 500920267 /nfs/dbraw/zinc/92/02/67/500920267.db2.gz HBOZUROXWNNBNG-MSOLQXFVSA-N 2 0 366.571 3.295 20 0 FGADRP CC[NH+](CC)CCOc1ccc(C[NH2+][C@@H]2C[C@@H](C)O[C@@H]2C)cc1OC ZINC000449090671 500921979 /nfs/dbraw/zinc/92/19/79/500921979.db2.gz ODMZWSKZILFMCY-JFIYKMOQSA-N 2 0 350.503 3.071 20 0 FGADRP C[C@H](C[NH2+][C@@H](C)COc1ccc(Cl)c(Cl)c1)CN1CC[NH+](C)CC1 ZINC000449129661 500931549 /nfs/dbraw/zinc/93/15/49/500931549.db2.gz DENNCSLZTPWYLD-CABCVRRESA-N 2 0 374.356 3.234 20 0 FGADRP C[C@H](C[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1)CN1CC[NH+](C)CC1 ZINC000449131967 500931813 /nfs/dbraw/zinc/93/18/13/500931813.db2.gz QTCCDIYCRCDOGO-LJQANCHMSA-N 3 0 366.638 3.139 20 0 FGADRP C[C@@H]1CSC[C@H]1[NH2+]Cc1cc(C(F)(F)F)ccc1N1CC[NH+](C)CC1 ZINC000449155368 500936484 /nfs/dbraw/zinc/93/64/84/500936484.db2.gz PJRXJLCVBKLNCN-CZUORRHYSA-N 2 0 373.488 3.298 20 0 FGADRP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@@H]2CCOC3(CCOCC3)C2)CC1 ZINC000449197157 500945611 /nfs/dbraw/zinc/94/56/11/500945611.db2.gz UTTMPHVEDLLRAV-SIKLNZKXSA-N 2 0 372.553 3.400 20 0 FGADRP COc1cc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)ccc1OCc1ccccc1 ZINC000435379204 500963410 /nfs/dbraw/zinc/96/34/10/500963410.db2.gz LNDRSDPNURCVAN-ZCNNSNEGSA-N 2 0 352.478 3.443 20 0 FGADRP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3cc4ccccc4nc3N3CCCCC3)C[C@@H]12 ZINC000435379305 500963491 /nfs/dbraw/zinc/96/34/91/500963491.db2.gz LZMXTPUUJGYJNO-MISYRCLQSA-N 2 0 350.510 3.394 20 0 FGADRP COc1cc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)ccc1OCc1ccncc1 ZINC000435379589 500963737 /nfs/dbraw/zinc/96/37/37/500963737.db2.gz JUNDVIRGXCUBEE-SLFFLAALSA-N 2 0 367.493 3.228 20 0 FGADRP COc1cc(C[N@H+](C)CC[C@@H]([NH3+])C(C)C)ccc1OCc1ccncc1 ZINC000435383392 500964167 /nfs/dbraw/zinc/96/41/67/500964167.db2.gz ICMGBHOASBYHCE-LJQANCHMSA-N 2 0 357.498 3.474 20 0 FGADRP CN(Cc1cnn(Cc2ccc(C(F)(F)F)cc2)c1)C1CC[NH2+]CC1 ZINC000435386356 500964757 /nfs/dbraw/zinc/96/47/57/500964757.db2.gz WKOWCZBVUSMRSI-UHFFFAOYSA-N 2 0 352.404 3.134 20 0 FGADRP COc1cccc(CN(Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)c1OC ZINC000435392999 500966560 /nfs/dbraw/zinc/96/65/60/500966560.db2.gz INAGHYHYGIKVQD-LJQANCHMSA-N 2 0 355.482 3.243 20 0 FGADRP C[NH2+]CC1CC[NH+](Cc2ccc(OCc3ccncc3)c(OC)c2)CC1 ZINC000435389873 500966622 /nfs/dbraw/zinc/96/66/22/500966622.db2.gz OWKBBCYARKVGEH-UHFFFAOYSA-N 2 0 355.482 3.101 20 0 FGADRP CC[NH+](CC)CCCNC(=O)C1CC[NH+](CCc2cccc(C)c2)CC1 ZINC000449321976 500977069 /nfs/dbraw/zinc/97/70/69/500977069.db2.gz VRANPUOIACLSLY-UHFFFAOYSA-N 2 0 359.558 3.098 20 0 FGADRP Cc1cccc(CC[NH+]2CCC(OCCN3C[C@H](C)O[C@@H](C)C3)CC2)c1 ZINC000449323814 500977852 /nfs/dbraw/zinc/97/78/52/500977852.db2.gz AZEJZQRQZFWYFR-PMACEKPBSA-N 2 0 360.542 3.128 20 0 FGADRP CC[NH+]1CCN(c2ccccc2C[NH2+]CC(C)(C)c2ccccn2)CC1 ZINC000449395440 500992895 /nfs/dbraw/zinc/99/28/95/500992895.db2.gz IYNGBUGCQRAYKS-UHFFFAOYSA-N 2 0 352.526 3.291 20 0 FGADRP CCN(CC(=O)N[C@H](c1cccs1)C(C)(C)C)[C@@H]1CCC[NH2+]CC1 ZINC000435615636 501002562 /nfs/dbraw/zinc/00/25/62/501002562.db2.gz ILOOEONGHJXSKG-CRAIPNDOSA-N 2 0 351.560 3.416 20 0 FGADRP CN(c1ccccc1C[NH2+]CC1(CF)CCOCC1)C1CC[NH+](C)CC1 ZINC000449488563 501015889 /nfs/dbraw/zinc/01/58/89/501015889.db2.gz IKCWHMNIPHNFGJ-UHFFFAOYSA-N 2 0 363.521 3.073 20 0 FGADRP CC1CC[NH+](Cc2ccc(CNC(=O)NCC3([NH+](C)C)CCC3)cc2)CC1 ZINC000445853855 501041738 /nfs/dbraw/zinc/04/17/38/501041738.db2.gz MXPADAXYSOUJNN-UHFFFAOYSA-N 2 0 372.557 3.202 20 0 FGADRP C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)N[C@H]2CC[C@H](C[NH3+])C2)c1 ZINC000449728181 501069968 /nfs/dbraw/zinc/06/99/68/501069968.db2.gz UBEMGTNWMMISDS-RXVVDRJESA-N 2 0 351.494 3.176 20 0 FGADRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2cccc(OC(F)(F)F)c2)CC1 ZINC000449744729 501072738 /nfs/dbraw/zinc/07/27/38/501072738.db2.gz JKTWNDWRSVRTKH-UHFFFAOYSA-N 2 0 359.436 3.091 20 0 FGADRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2cccc3c(OC)cccc23)CC1 ZINC000449744217 501073075 /nfs/dbraw/zinc/07/30/75/501073075.db2.gz FQPAMOBFJFANFR-UHFFFAOYSA-N 2 0 355.526 3.354 20 0 FGADRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2ccc(Sc3ccccn3)o2)CC1 ZINC000449744622 501073163 /nfs/dbraw/zinc/07/31/63/501073163.db2.gz IPUJQBLUMRWHTL-UHFFFAOYSA-N 2 0 374.554 3.332 20 0 FGADRP CC(C)Oc1ccc2[nH+]ccc(N3CC[C@@H](C[NH+]4CCOCC4)C3)c2c1 ZINC000450352519 501097966 /nfs/dbraw/zinc/09/79/66/501097966.db2.gz BVCDWLSMZALRTJ-KRWDZBQOSA-N 2 0 355.482 3.181 20 0 FGADRP CC1(C)CCc2ccccc2[C@@H]([NH2+]CCCC[NH+]2CCN(CCO)CC2)C1 ZINC000436288223 501102516 /nfs/dbraw/zinc/10/25/16/501102516.db2.gz DUBUEXDNYZZNLS-QFIPXVFZSA-N 2 0 373.585 3.070 20 0 FGADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000436304168 501104773 /nfs/dbraw/zinc/10/47/73/501104773.db2.gz CZHTVIMZROYFNT-NXNFSMPISA-N 2 0 356.510 3.218 20 0 FGADRP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2CCc1cccc(OC(F)(F)F)c1 ZINC000441248807 501108579 /nfs/dbraw/zinc/10/85/79/501108579.db2.gz AZCXZINDFMOSPM-NJAFHUGGSA-N 2 0 372.431 3.311 20 0 FGADRP COC[C@@H]([NH2+]CCCC[NH+]1CCN(c2ccccc2)CC1)C1CCCC1 ZINC000446750655 501161063 /nfs/dbraw/zinc/16/10/63/501161063.db2.gz HOXNPQJXTNLPMP-JOCHJYFZSA-N 2 0 359.558 3.384 20 0 FGADRP C[C@@H](c1ccccc1)[C@@H](O)C[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000450640437 501172831 /nfs/dbraw/zinc/17/28/31/501172831.db2.gz MDPJSPKMELDCSK-AVRDEDQJSA-N 2 0 353.510 3.394 20 0 FGADRP C[C@H]1C[C@@H](NC(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)CC[N@@H+]1C ZINC000607722325 506239345 /nfs/dbraw/zinc/23/93/45/506239345.db2.gz YMGCJFKVGVDION-PXNSSMCTSA-N 2 0 358.530 3.319 20 0 FGADRP CC[NH+]1CCN(c2ccccc2C[NH2+][C@H](C)Cc2cccc(O)c2)CC1 ZINC000446986680 501191796 /nfs/dbraw/zinc/19/17/96/501191796.db2.gz KCPASYOKDRGOMI-GOSISDBHSA-N 2 0 353.510 3.255 20 0 FGADRP COc1cc(C[N@@H+]2CC[C@@H](Nc3cc[nH+]c4ccccc34)C2)cc(OC)c1 ZINC000447058887 501198365 /nfs/dbraw/zinc/19/83/65/501198365.db2.gz JQMUECTZJGKVRW-QGZVFWFLSA-N 2 0 363.461 3.360 20 0 FGADRP C[C@@H]([NH2+]CCCN1C[C@@H](C)O[C@@H](C)C1)c1ncc(-c2ccccc2)n1C ZINC000453072098 501262605 /nfs/dbraw/zinc/26/26/05/501262605.db2.gz NJLITRDKSLLCIU-FGTMMUONSA-N 2 0 356.514 3.237 20 0 FGADRP CC(=O)NC1CCC([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)CC1 ZINC000453102652 501269587 /nfs/dbraw/zinc/26/95/87/501269587.db2.gz YGHNIJOYGVXTMB-HOIMLPCSSA-N 2 0 369.553 3.467 20 0 FGADRP C[C@H]([NH2+]Cc1cc(C(F)(F)F)ccc1N1CC[NH+](C)CC1)c1cn[nH]c1 ZINC000453113451 501271645 /nfs/dbraw/zinc/27/16/45/501271645.db2.gz DXPFGNNOZRHUDV-ZDUSSCGKSA-N 2 0 367.419 3.031 20 0 FGADRP CCN(C)C(=O)[C@@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C(C)C ZINC000453274774 501305396 /nfs/dbraw/zinc/30/53/96/501305396.db2.gz DHBGFEFGEANFGI-WOZUAGRISA-N 2 0 357.542 3.275 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCO[C@@H](c3cccnc3)C2)[C@@H](C)C1 ZINC000453333491 501316718 /nfs/dbraw/zinc/31/67/18/501316718.db2.gz ITGAVRCJNYTOEI-FYZZASKESA-N 2 0 361.530 3.028 20 0 FGADRP COC(=O)c1csc(C[NH2+]Cc2ccc(OC3CC[NH+](C)CC3)cc2)c1 ZINC000602654645 506247878 /nfs/dbraw/zinc/24/78/78/506247878.db2.gz RIOQZBVKHSBMIG-UHFFFAOYSA-N 2 0 374.506 3.298 20 0 FGADRP CC1(C)COC[C@@H]1[NH2+]Cc1cc(Cl)cc(C[NH2+][C@@H]2COCC2(C)C)c1 ZINC000451807194 501376371 /nfs/dbraw/zinc/37/63/71/501376371.db2.gz APMUNFAOROCYTQ-HDICACEKSA-N 2 0 366.933 3.369 20 0 FGADRP Cc1ccc([C@@H](CNC(=O)NCC[C@@H]2CCC[N@@H+](C)C2)[NH+]2CCCC2)cc1 ZINC000458157336 501381272 /nfs/dbraw/zinc/38/12/72/501381272.db2.gz UTYPTSMWCXETDG-PZJWPPBQSA-N 2 0 372.557 3.163 20 0 FGADRP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000455847102 501399363 /nfs/dbraw/zinc/39/93/63/501399363.db2.gz IRNHKVASYMZXEM-BPAFIMBUSA-N 2 0 356.514 3.326 20 0 FGADRP C[C@H](CNC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C)[N@@H+]1CCC[C@@H](C)C1 ZINC000455912459 501413740 /nfs/dbraw/zinc/41/37/40/501413740.db2.gz JOIYXPMSQZHHCK-QINHECLXSA-N 2 0 358.530 3.477 20 0 FGADRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2nc(-c3cccs3)oc2C)CC1 ZINC000451997323 501415280 /nfs/dbraw/zinc/41/52/80/501415280.db2.gz ZBRSSFHZMNPXJZ-UHFFFAOYSA-N 2 0 362.543 3.217 20 0 FGADRP C[NH+](C)CCN(Cc1ccco1)C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000455937356 501420652 /nfs/dbraw/zinc/42/06/52/501420652.db2.gz SHOHWYLZQVXXPN-HXUWFJFHSA-N 2 0 370.497 3.424 20 0 FGADRP C[C@H](CNC(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C)[NH+]1CCC(C)CC1 ZINC000455947594 501423527 /nfs/dbraw/zinc/42/35/27/501423527.db2.gz XMSPPZVUYDTLPM-OXQOHEQNSA-N 2 0 358.530 3.477 20 0 FGADRP CCC(CC)(CNC(=O)NCCc1cn(C)cn1)[NH2+][C@@H](C)c1ccccc1 ZINC000458360928 501426730 /nfs/dbraw/zinc/42/67/30/501426730.db2.gz AIBVDCSAGMVZHG-KRWDZBQOSA-N 2 0 371.529 3.171 20 0 FGADRP C[C@H]([NH2+]C(C)(C)CNC(=O)NCC[C@H]1CCC[N@H+](C)C1)c1ccccc1 ZINC000458367862 501428477 /nfs/dbraw/zinc/42/84/77/501428477.db2.gz IIVWOEZIWIPPCM-ZWKOTPCHSA-N 2 0 360.546 3.147 20 0 FGADRP Cc1ccccc1[C@H]([C@H](C)NC(=O)N(C)[C@@H]1CC[N@@H+](C(C)C)C1)[NH+](C)C ZINC000458788394 501531917 /nfs/dbraw/zinc/53/19/17/501531917.db2.gz YCBHJNPITLCBCS-NSHGMRRFSA-N 2 0 360.546 3.110 20 0 FGADRP CSc1ccc([C@H](CNC(=O)N[C@H](C)C[N@H+](C)C(C)C)[NH+](C)C)cc1 ZINC000458792339 501532576 /nfs/dbraw/zinc/53/25/76/501532576.db2.gz QSMPFAXDTTVLJT-QAPCUYQASA-N 2 0 366.575 3.039 20 0 FGADRP CC[NH+](CC)C[C@H]1CCCC[C@@H]1NC(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000459093352 501592640 /nfs/dbraw/zinc/59/26/40/501592640.db2.gz GOBSXBFSOVJTDI-XLIONFOSSA-N 2 0 364.578 3.203 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NCCCC[NH+](C)C1CC1 ZINC000454619991 501594065 /nfs/dbraw/zinc/59/40/65/501594065.db2.gz OMXNUJMEUJTZQN-NQIIRXRSSA-N 2 0 372.557 3.071 20 0 FGADRP CCOC[C@@H](O)C[N@@H+]1CC(C)(C)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000453007302 501599774 /nfs/dbraw/zinc/59/97/74/501599774.db2.gz CWZMYCRQJSWZSP-LEWJYISDSA-N 2 0 360.542 3.006 20 0 FGADRP CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC(=O)NCc1ccc2c[nH+]cn2c1 ZINC000459207819 501614000 /nfs/dbraw/zinc/61/40/00/501614000.db2.gz DRDJUOSDPZHVQV-PKOBYXMFSA-N 2 0 357.502 3.034 20 0 FGADRP CN(C(=O)NCC[C@@H]1CCC[NH+](C)C1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000459270008 501622725 /nfs/dbraw/zinc/62/27/25/501622725.db2.gz UTXQDXUGSVECNF-LEWJYISDSA-N 2 0 372.557 3.024 20 0 FGADRP C[C@H]1CCN(C(=O)NCC[C@H]2CCC[NH+](C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000459273304 501623266 /nfs/dbraw/zinc/62/32/66/501623266.db2.gz YCDLAFFLHICREO-PZJWPPBQSA-N 2 0 372.557 3.024 20 0 FGADRP CCN(C(=O)NCC[C@H]1CCC[NH+](C)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000459327143 501631685 /nfs/dbraw/zinc/63/16/85/501631685.db2.gz XKHTUFOACFIEBZ-RTWAWAEBSA-N 2 0 372.557 3.024 20 0 FGADRP CC(C)(C[NH+]1CCCC1)NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000457058073 501642802 /nfs/dbraw/zinc/64/28/02/501642802.db2.gz VNYDHGOMHCSDCP-GOSISDBHSA-N 2 0 361.505 3.028 20 0 FGADRP C[C@@H](c1ccccc1)N1CC[C@@H]([NH2+]C2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000459411014 501649285 /nfs/dbraw/zinc/64/92/85/501649285.db2.gz PWGRLQQTBSYEOZ-GHTZIAJQSA-N 3 0 350.510 3.476 20 0 FGADRP C[N@H+](CCCCNC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1)C1CC1 ZINC000457172164 501661867 /nfs/dbraw/zinc/66/18/67/501661867.db2.gz TUROWMHMXYQDMQ-UHFFFAOYSA-N 2 0 357.542 3.279 20 0 FGADRP CCc1ccc([C@H](CNC(=O)NC(C)(C)CCC[NH+](C)C)[NH+](C)C)cc1 ZINC000457480849 501706783 /nfs/dbraw/zinc/70/67/83/501706783.db2.gz NYVYKBCNQJPBEF-IBGZPJMESA-N 2 0 362.562 3.271 20 0 FGADRP COc1cc(C[NH2+]CC[C@@H]2CCC[N@H+](C)C2)cc(OC)c1OCC(F)F ZINC000459784020 501713549 /nfs/dbraw/zinc/71/35/49/501713549.db2.gz NWIRFBAWOUQPRV-AWEZNQCLSA-N 2 0 372.456 3.169 20 0 FGADRP C[NH+]1CCC(Nc2ccccc2NC(=O)C2C[NH+](C3CCCCC3)C2)CC1 ZINC000457516554 501714941 /nfs/dbraw/zinc/71/49/41/501714941.db2.gz JEHZWNPXWDHZSR-UHFFFAOYSA-N 2 0 370.541 3.396 20 0 FGADRP CC[NH+](CC)Cc1ccccc1CNC(=O)N1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000457535007 501718130 /nfs/dbraw/zinc/71/81/30/501718130.db2.gz SKJQQXMYPCZTAP-JOCHJYFZSA-N 2 0 372.557 3.156 20 0 FGADRP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000457535062 501718309 /nfs/dbraw/zinc/71/83/09/501718309.db2.gz SVQQFTBOVPSATN-OAQYLSRUSA-N 2 0 372.557 3.297 20 0 FGADRP C[N@H+](Cc1ccccc1CNC(=O)c1ccnc(C[NH3+])c1)C1CCCCC1 ZINC000463481336 501736615 /nfs/dbraw/zinc/73/66/15/501736615.db2.gz CPLRLZPUDXERJY-UHFFFAOYSA-N 2 0 366.509 3.235 20 0 FGADRP CC1CC[NH+](CC(=O)NC[C@H](c2cccc(C(F)(F)F)c2)[NH+](C)C)CC1 ZINC000470602906 501739885 /nfs/dbraw/zinc/73/98/85/501739885.db2.gz UTMAASWAHGHIQY-QGZVFWFLSA-N 2 0 371.447 3.156 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCCc2nc3ccccc3[nH]2)[C@@H](C)C1 ZINC000481424119 501772098 /nfs/dbraw/zinc/77/20/98/501772098.db2.gz OEVFUIYVFMSOJF-ROUUACIJSA-N 2 0 358.530 3.222 20 0 FGADRP Cc1cc(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)ccc1I ZINC000467373397 501780622 /nfs/dbraw/zinc/78/06/22/501780622.db2.gz LZSSPLBAFMUEJW-HEHGZKQESA-N 2 0 372.294 3.418 20 0 FGADRP Cc1ccccc1C[C@H](CO)[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000467384281 501782894 /nfs/dbraw/zinc/78/28/94/501782894.db2.gz WMMPVMWJZJFWGV-OLKYXYMISA-N 2 0 364.533 3.399 20 0 FGADRP C[C@H]([NH2+]C(C)(C)CNC(=O)NC1CC([NH+]2CCCCC2)C1)c1ccccc1 ZINC000474357578 501804142 /nfs/dbraw/zinc/80/41/42/501804142.db2.gz QGNUZGBCZXVXDU-KKXNLOMOSA-N 2 0 372.557 3.432 20 0 FGADRP CC[N@H+](CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)Cc1ccccc1C ZINC000460379826 501810033 /nfs/dbraw/zinc/81/00/33/501810033.db2.gz KCCFNWJTXHBEES-OAQYLSRUSA-N 2 0 353.510 3.236 20 0 FGADRP C[C@@H]1CN(CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)[C@H]1c1ccccc1 ZINC000460400619 501815146 /nfs/dbraw/zinc/81/51/46/501815146.db2.gz LIZFGNZKULEANY-PIPMEXSNSA-N 2 0 351.494 3.099 20 0 FGADRP CCN(CC)C(=O)[C@H](C)[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000485465551 501828341 /nfs/dbraw/zinc/82/83/41/501828341.db2.gz ISMYGZHHBRRPFB-IBGZPJMESA-N 2 0 357.542 3.231 20 0 FGADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)N(C)[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000470885624 501842588 /nfs/dbraw/zinc/84/25/88/501842588.db2.gz FAASFIBDSMGCMR-NHCUHLMSSA-N 2 0 372.557 3.167 20 0 FGADRP CCCN(CC[NH+]1CCCCCC1)C(=O)NC1CC[NH+](CCC)CC1 ZINC000460530586 501851377 /nfs/dbraw/zinc/85/13/77/501851377.db2.gz IFBZZHOUPNYAOH-UHFFFAOYSA-N 2 0 352.567 3.158 20 0 FGADRP CC[NH+](CC)[C@H]1CCN(C(=O)NC[C@@H](C2CC2)[N@H+](C)Cc2ccccc2)C1 ZINC000478015648 501854360 /nfs/dbraw/zinc/85/43/60/501854360.db2.gz KGYGWGUVVRHUBU-SFTDATJTSA-N 2 0 372.557 3.023 20 0 FGADRP C[N@H+](CC1CC1)C[C@H]1CC[NH+](CCC(=O)Nc2ccc(Cl)cc2F)C1 ZINC000470959464 501870349 /nfs/dbraw/zinc/87/03/49/501870349.db2.gz IJWCLMSWWWSGOC-OAHLLOKOSA-N 2 0 367.896 3.471 20 0 FGADRP Cc1ccccc1-n1nccc1C[NH2+]Cc1ccccc1OCC[NH+](C)C ZINC000474605234 501891693 /nfs/dbraw/zinc/89/16/93/501891693.db2.gz YYQHHVMNHJQLFR-UHFFFAOYSA-N 2 0 364.493 3.411 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccc2sccc2c1 ZINC000471021732 501892931 /nfs/dbraw/zinc/89/29/31/501892931.db2.gz JYBRRQOUACQZCM-GOSISDBHSA-N 2 0 359.539 3.389 20 0 FGADRP CC(C)C[C@H](CNC(=O)N1CC[N@H+](C)CC[C@@H]1C)[NH2+][C@@H](C)c1ccccc1 ZINC000468023064 501932439 /nfs/dbraw/zinc/93/24/39/501932439.db2.gz VDYGVJQGXCSUKE-IRFCIJBXSA-N 2 0 374.573 3.488 20 0 FGADRP C[NH+](C)CCN(C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1)C1CCCC1 ZINC000468024233 501933462 /nfs/dbraw/zinc/93/34/62/501933462.db2.gz JJDQRDMUJWGLFE-FQEVSTJZSA-N 2 0 372.557 3.167 20 0 FGADRP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)NCC[C@@H](C)[NH+]1CCCCC1 ZINC000460879087 501948199 /nfs/dbraw/zinc/94/81/99/501948199.db2.gz IOOAHYGIRAFMQY-RTBURBONSA-N 2 0 360.546 3.071 20 0 FGADRP CC[NH+](CC)CCSCC(=O)N[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000468116504 501961765 /nfs/dbraw/zinc/96/17/65/501961765.db2.gz FWRYYLVHHPJQKZ-MJGOQNOKSA-N 2 0 363.571 3.013 20 0 FGADRP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)[C@H]2CCN2Cc2ccccc2)C1 ZINC000468130835 501967407 /nfs/dbraw/zinc/96/74/07/501967407.db2.gz PQCUNCJBBCWTQS-QWFCFKBJSA-N 2 0 357.542 3.134 20 0 FGADRP Fc1ccc(-n2nccc2C[NH2+]CC2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000474876863 501978202 /nfs/dbraw/zinc/97/82/02/501978202.db2.gz GNZUZXQVAHLRAH-UHFFFAOYSA-N 2 0 365.456 3.413 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCC(=O)N1CCCCCC1 ZINC000482113377 501979021 /nfs/dbraw/zinc/97/90/21/501979021.db2.gz JTRGQPXXEWVJGO-CTNGQTDRSA-N 2 0 357.542 3.279 20 0 FGADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000468430293 502057233 /nfs/dbraw/zinc/05/72/33/502057233.db2.gz SYUSKJOTAWIJSZ-GUDVDZBRSA-N 2 0 357.542 3.408 20 0 FGADRP Cc1ccccc1[C@@H]([NH2+]CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)C1CC1 ZINC000475136458 502075584 /nfs/dbraw/zinc/07/55/84/502075584.db2.gz HSMCZQLKROVPTI-GGAORHGYSA-N 2 0 365.521 3.455 20 0 FGADRP C[C@H](CNC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)C1)C[NH+]1CCCCC1 ZINC000475140327 502076869 /nfs/dbraw/zinc/07/68/69/502076869.db2.gz RYWNOHAXCRJXKQ-CTNGQTDRSA-N 2 0 372.557 3.024 20 0 FGADRP C[C@H]([NH2+]CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)C(C)(C)c1ccccc1 ZINC000475141231 502077880 /nfs/dbraw/zinc/07/78/80/502077880.db2.gz VOVOKWZLVXYNGH-RXVVDRJESA-N 2 0 367.537 3.361 20 0 FGADRP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)NCC(C)(C)C[NH+]2CCCC2)C1 ZINC000478780313 502083123 /nfs/dbraw/zinc/08/31/23/502083123.db2.gz MAKPHEOYXHDIHZ-RTBURBONSA-N 2 0 366.594 3.166 20 0 FGADRP COC[C@H](CC(C)C)[NH2+][C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000482567548 502112322 /nfs/dbraw/zinc/11/23/22/502112322.db2.gz REPXPSFCUNQVSY-WMZOPIPTSA-N 2 0 351.510 3.289 20 0 FGADRP O=C(NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1)[C@H](C1CC1)[NH+]1CCCC1 ZINC000461467836 502125646 /nfs/dbraw/zinc/12/56/46/502125646.db2.gz VQXLFNHWTVYABB-IRLDBZIGSA-N 2 0 369.553 3.279 20 0 FGADRP CC[NH+]1CCC(NC(=O)C[N@H+](C)[C@@H](C)[C@H](C)c2ccc(Cl)cc2)CC1 ZINC000464871586 502131638 /nfs/dbraw/zinc/13/16/38/502131638.db2.gz HOWKIUUXGYFRCP-HOTGVXAUSA-N 2 0 365.949 3.364 20 0 FGADRP COC1CC[NH+](C(C)(C)CN[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000482636767 502135819 /nfs/dbraw/zinc/13/58/19/502135819.db2.gz MNXQVNFCROUFEQ-UGKGYDQZSA-N 2 0 373.585 3.376 20 0 FGADRP CCN(CCC[NH+](C)C)C(=O)NCC[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000468676158 502143536 /nfs/dbraw/zinc/14/35/36/502143536.db2.gz SDRVGQXZNXIUDG-PZJWPPBQSA-N 2 0 374.573 3.270 20 0 FGADRP CC[C@@H](C(=O)N(Cc1ccncc1)C[C@H]1CCC[N@@H+]1CC)[NH+](CC)CC ZINC000461642678 502160886 /nfs/dbraw/zinc/16/08/86/502160886.db2.gz NRWCFGBEQCCIMV-UXHICEINSA-N 2 0 360.546 3.015 20 0 FGADRP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000461728499 502181944 /nfs/dbraw/zinc/18/19/44/502181944.db2.gz PAHXAIKTLUXETE-TZIWHRDSSA-N 2 0 372.557 3.167 20 0 FGADRP C[C@@H](CSc1nnc([C@H](C)N(C)C)n1-c1ccc(F)cc1)[NH+](C)C ZINC000479201318 502191676 /nfs/dbraw/zinc/19/16/76/502191676.db2.gz DIKROYLTSCNTNW-STQMWFEESA-N 2 0 351.495 3.071 20 0 FGADRP CCCC[N@H+](C)C[C@H](C)NC(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000461790663 502202902 /nfs/dbraw/zinc/20/29/02/502202902.db2.gz JDEOELMKKHDEHC-IBGZPJMESA-N 2 0 374.573 3.413 20 0 FGADRP CC[C@H](C)C[N@H+](CC)CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000482889245 502207331 /nfs/dbraw/zinc/20/73/31/502207331.db2.gz LMAOIYYIWAQLDX-SFHVURJKSA-N 2 0 359.558 3.444 20 0 FGADRP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NCC(C)(C)[NH2+][C@@H](C)c2ccccc2)C1 ZINC000465180152 502208261 /nfs/dbraw/zinc/20/82/61/502208261.db2.gz XIEZJSVYEYYMQW-AOIWGVFYSA-N 2 0 360.546 3.144 20 0 FGADRP CC(C)[C@@H](CNC(=O)N1CC[C@@H]([NH+]2CCCC2)[C@@H]1C)[NH+]1CCC(C)CC1 ZINC000479269539 502211059 /nfs/dbraw/zinc/21/10/59/502211059.db2.gz CHNVIXYYSVUCMF-XUVXKRRUSA-N 2 0 364.578 3.011 20 0 FGADRP CCN(CCC[NH+]1CCCC1)C(=O)NC[C@@H]1CCCC[N@@H+]1CC(C)C ZINC000472085740 502225515 /nfs/dbraw/zinc/22/55/15/502225515.db2.gz TZMKTYIWNXQFSI-IBGZPJMESA-N 2 0 352.567 3.014 20 0 FGADRP CCN(CCC[NH+]1CCCC1)C(=O)NCc1cccc(C[N@H+](C)CC)c1 ZINC000472096822 502230023 /nfs/dbraw/zinc/23/00/23/502230023.db2.gz WDPFJXNSSRCVKH-UHFFFAOYSA-N 2 0 360.546 3.156 20 0 FGADRP C[C@H](CCCCN1C(=O)c2ccccc2C1=O)[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000472129377 502242200 /nfs/dbraw/zinc/24/22/00/502242200.db2.gz BCTCQVRABMIQLJ-KURKYZTESA-N 2 0 369.509 3.058 20 0 FGADRP CC(C)[NH+](CCNC(=O)N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1)C(C)C ZINC000465449898 502266513 /nfs/dbraw/zinc/26/65/13/502266513.db2.gz WBLCRVSRVGJYFT-HXUWFJFHSA-N 2 0 374.573 3.411 20 0 FGADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)NCc2cccc(C[NH+](CC)CC)c2)C1 ZINC000465512045 502284174 /nfs/dbraw/zinc/28/41/74/502284174.db2.gz FCOLTEWXTPGHKM-NRFANRHFSA-N 2 0 374.573 3.402 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)N1CC[C@@H]([NH+](CC)CC)C1)Cc1ccccc1 ZINC000465522120 502287652 /nfs/dbraw/zinc/28/76/52/502287652.db2.gz BHXGEGAMTNHQNU-NHCUHLMSSA-N 2 0 374.573 3.065 20 0 FGADRP O=C(NC[C@H]1CCC[N@@H+]1Cc1ccccc1)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC000483147791 502290709 /nfs/dbraw/zinc/29/07/09/502290709.db2.gz CMCVUEGDBJTRQL-IFMALSPDSA-N 2 0 369.553 3.422 20 0 FGADRP CC(C)[N@@H+]1[C@@H]2CC[C@H]1CN(C(=O)NCCC[NH+]1C[C@H](C)C[C@H](C)C1)CC2 ZINC000465531338 502291567 /nfs/dbraw/zinc/29/15/67/502291567.db2.gz ATBCGXGYZBDZNL-WCIQWLHISA-N 2 0 364.578 3.011 20 0 FGADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](CCC(=O)Nc2cccc(Cl)c2)C1 ZINC000472290150 502301910 /nfs/dbraw/zinc/30/19/10/502301910.db2.gz FAQMXHVWSQHNAH-SFHVURJKSA-N 2 0 367.921 3.101 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CNC(=O)NCc1ccccc1C[NH+]1CCC(C)CC1 ZINC000465566883 502309413 /nfs/dbraw/zinc/30/94/13/502309413.db2.gz GQVOHCUDIMCSFJ-NRFANRHFSA-N 2 0 372.557 3.202 20 0 FGADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)N[C@@H]2CC[NH+](CC3CCCC3)C2)C1 ZINC000465606871 502324479 /nfs/dbraw/zinc/32/44/79/502324479.db2.gz QYGFYXXGFJEZIO-UYAOXDASSA-N 2 0 364.578 3.062 20 0 FGADRP COC1(C[NH+]2CCN(CC[N@H+](C)Cc3ccccc3)CC2)CCCCC1 ZINC000483258333 502330424 /nfs/dbraw/zinc/33/04/24/502330424.db2.gz BIGHSPCAYNOKBN-UHFFFAOYSA-N 2 0 359.558 3.085 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N1CC([NH+](C)Cc2ccccc2)C1 ZINC000479676016 502340686 /nfs/dbraw/zinc/34/06/86/502340686.db2.gz OACVVYZUQFTOFE-LJQANCHMSA-N 2 0 372.557 3.167 20 0 FGADRP CCCN(CC[NH+]1CCCC1)C(=O)NCCCC[N@@H+]1CCC[C@H](C)C1 ZINC000479710459 502352794 /nfs/dbraw/zinc/35/27/94/502352794.db2.gz PZLDBJMJHMUENP-IBGZPJMESA-N 2 0 352.567 3.016 20 0 FGADRP CC[NH+](CC)Cc1cccc(CNC(=O)N2CC[N@H+](C)[C@@H](C(C)C)C2)c1 ZINC000487097761 502357901 /nfs/dbraw/zinc/35/79/01/502357901.db2.gz PWACJDOKPHIETD-HXUWFJFHSA-N 2 0 360.546 3.010 20 0 FGADRP CC1=C(C)C[N@H+]([C@@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000483348758 502358698 /nfs/dbraw/zinc/35/86/98/502358698.db2.gz NAOQZEQFRCZPFZ-IBGZPJMESA-N 2 0 355.526 3.198 20 0 FGADRP CCC[N@@H+]1CC[C@H](CNC(=O)N2CC[C@H](C)[NH+](Cc3ccccc3)CC2)C1 ZINC000465744688 502368115 /nfs/dbraw/zinc/36/81/15/502368115.db2.gz FFJHYJVOCXGBPC-PZJWPPBQSA-N 2 0 372.557 3.024 20 0 FGADRP C[C@@H]1C[C@H](NC(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)CC[N@@H+]1C ZINC000465817616 502393796 /nfs/dbraw/zinc/39/37/96/502393796.db2.gz SZKRXQWEBLCJSP-WIYYLYMNSA-N 2 0 372.557 3.345 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H](NC[C@H](c2ccco2)[NH+]2CCCC2)[C@@H](C)C1 ZINC000479876619 502406223 /nfs/dbraw/zinc/40/62/23/502406223.db2.gz UIFWXWCWXOGTPD-SLFFLAALSA-N 2 0 363.546 3.143 20 0 FGADRP CC[N@@H+]1CCC[C@@H](CNC(=O)N[C@@H](C[NH+](C)Cc2ccccc2)C(C)C)C1 ZINC000469427056 502412744 /nfs/dbraw/zinc/41/27/44/502412744.db2.gz XKSHAYDOQGFURA-SFTDATJTSA-N 2 0 374.573 3.174 20 0 FGADRP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N[C@H]1CC[NH+]2CCCC[C@H]12 ZINC000469438430 502418112 /nfs/dbraw/zinc/41/81/12/502418112.db2.gz KLLJGCKAQUXSHU-PCCBWWKXSA-N 2 0 372.557 3.069 20 0 FGADRP O=C(CC[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1)Nc1ccccc1Oc1ccccc1 ZINC000462396132 502420940 /nfs/dbraw/zinc/42/09/40/502420940.db2.gz NXVQUCUHJWVWKB-JOCHJYFZSA-N 2 0 365.477 3.493 20 0 FGADRP C[C@@H]1C[C@H](NC(=O)NCc2ccccc2C[NH+]2CCCCCC2)CC[N@@H+]1C ZINC000465923184 502428373 /nfs/dbraw/zinc/42/83/73/502428373.db2.gz SMFIHPDFLIGZRM-WIYYLYMNSA-N 2 0 372.557 3.345 20 0 FGADRP CC[C@@H](Cc1ccccc1)NC(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@@H+]1CC ZINC000465944270 502435161 /nfs/dbraw/zinc/43/51/61/502435161.db2.gz XOPWVFLAOWGBNR-LEWJYISDSA-N 2 0 374.573 3.065 20 0 FGADRP O=C(NCCCCC[NH+]1CCCCC1)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000465953259 502438538 /nfs/dbraw/zinc/43/85/38/502438538.db2.gz LVCDXBFMKOSEAY-FQEVSTJZSA-N 2 0 364.578 3.206 20 0 FGADRP COc1cc2c(cc1F)[nH+]ccc2N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000480055516 502459962 /nfs/dbraw/zinc/45/99/62/502459962.db2.gz BXRWUMLTSNQWGB-UHFFFAOYSA-N 2 0 373.472 3.464 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCCn2c(C)nc3ccccc32)[C@@H](C)C1 ZINC000480072961 502464712 /nfs/dbraw/zinc/46/47/12/502464712.db2.gz ZPZMUTRPXNUPBH-ICSRJNTNSA-N 2 0 372.557 3.461 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)N(C)[C@H]1CC[N@H+](CC)[C@H](C)C1)CC(C)C ZINC000483716866 502473222 /nfs/dbraw/zinc/47/32/22/502473222.db2.gz UCMPHHIFPSKIIN-CEXWTWQISA-N 2 0 354.583 3.257 20 0 FGADRP CC(C)[NH+](CCNC(=O)N[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)C(C)C ZINC000466147892 502489462 /nfs/dbraw/zinc/48/94/62/502489462.db2.gz YRJNABKCMWEDMZ-UYAOXDASSA-N 2 0 360.546 3.067 20 0 FGADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@H](CO)Cc1cccc(OC(F)(F)F)c1 ZINC000483821514 502501150 /nfs/dbraw/zinc/50/11/50/502501150.db2.gz NBMLJENUQFFESX-DEICHXMPSA-N 2 0 374.447 3.055 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(Cn3cccn3)cc2)[C@H](C)C1 ZINC000480263887 502517674 /nfs/dbraw/zinc/51/76/74/502517674.db2.gz ZKKQAIVRQUVSEQ-KNQAVFIVSA-N 2 0 370.541 3.158 20 0 FGADRP CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(C[NH+](C)C)cc2)[C@H]1Oc1ccccc1 ZINC000480334018 502539804 /nfs/dbraw/zinc/53/98/04/502539804.db2.gz MVVMUNVHBCKRHT-YPAWHYETSA-N 2 0 354.494 3.463 20 0 FGADRP CC(C)C[C@H]([NH2+]CC1CCC(C(F)(F)F)CC1)C(=O)NCC[NH+](C)C ZINC000466371485 502550801 /nfs/dbraw/zinc/55/08/01/502550801.db2.gz YLRXBJXENPVAMV-GPANFISMSA-N 2 0 365.484 3.037 20 0 FGADRP Cc1nn(-c2ccc(Cl)cc2)cc1C[NH+]1CCC(OCCC[NH3+])CC1 ZINC000469864903 502575290 /nfs/dbraw/zinc/57/52/90/502575290.db2.gz HSSTWKOUJFOPTK-UHFFFAOYSA-N 2 0 362.905 3.164 20 0 FGADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H](C)CC(C)(C)c1c[nH]c2ccccc21 ZINC000462807227 502582470 /nfs/dbraw/zinc/58/24/70/502582470.db2.gz ZHEMXJXTFYAMSX-QZTJIDSGSA-N 2 0 356.558 3.450 20 0 FGADRP Cn1c2ccc(C(F)(F)F)cc2nc1CN1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000469888146 502584654 /nfs/dbraw/zinc/58/46/54/502584654.db2.gz MDLMLAKMJIPHGO-YUTCNCBUSA-N 2 0 352.404 3.151 20 0 FGADRP CCOCC[NH+]1CCN(c2cc(C)[nH+]c3ccc(OC(F)F)cc32)CC1 ZINC000462816860 502585434 /nfs/dbraw/zinc/58/54/34/502585434.db2.gz MPIVDTKPTVSBHI-UHFFFAOYSA-N 2 0 365.424 3.303 20 0 FGADRP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NCCCCC[NH+]1CCCCC1 ZINC000476825267 502595847 /nfs/dbraw/zinc/59/58/47/502595847.db2.gz WKJKUSQAVIDKMH-RTBURBONSA-N 2 0 352.567 3.062 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1Nc1cccc(C[NH+]2CC[C@H](O)C2)c1 ZINC000462860400 502602224 /nfs/dbraw/zinc/60/22/24/502602224.db2.gz FZORVWXDRFGWQN-YFXJRYMSSA-N 2 0 365.521 3.186 20 0 FGADRP CCC[N@@H+]1CCC[C@H]1CNC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000476873290 502608894 /nfs/dbraw/zinc/60/88/94/502608894.db2.gz MMCYMJZVIYRUIP-NRFANRHFSA-N 2 0 372.557 3.346 20 0 FGADRP CC(C)[C@H]1CCCC[C@H]1[NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000484294924 502616458 /nfs/dbraw/zinc/61/64/58/502616458.db2.gz NMQHEKRALGTQNR-RTBURBONSA-N 2 0 351.579 3.418 20 0 FGADRP C[NH2+]CC1CC[NH+](Cc2ccc(OC(F)F)c(Br)c2)CC1 ZINC000469989307 502619774 /nfs/dbraw/zinc/61/97/74/502619774.db2.gz CEAPDTKKJJDTFH-UHFFFAOYSA-N 2 0 363.246 3.482 20 0 FGADRP C[C@@H]1C[C@H](C[NH+]2CCC[C@H]([N@@H+](C)C[C@H]3CCO[C@H](C)C3)CC2)CCO1 ZINC000488098205 502625819 /nfs/dbraw/zinc/62/58/19/502625819.db2.gz BSVRCDTZUGYBCD-ADAARDCZSA-N 2 0 352.563 3.403 20 0 FGADRP CCCN(CC[NH+]1CCCCC1)C(=O)NC[C@@H](C)C[NH+]1CCCCC1 ZINC000484399792 502637918 /nfs/dbraw/zinc/63/79/18/502637918.db2.gz FQGJMIPTOITMFQ-LJQANCHMSA-N 2 0 352.567 3.016 20 0 FGADRP CC[NH+]1CCN(Cc2ccccc2C[NH2+][C@H]2CS[C@@H](C(C)C)C2)CC1 ZINC000488416301 502709471 /nfs/dbraw/zinc/70/94/71/502709471.db2.gz QKOYXIYKLNJIOH-NHCUHLMSSA-N 2 0 361.599 3.444 20 0 FGADRP C[C@H]1CCC[N@H+](CCCCNC(=O)NCc2ccc(CC[NH+](C)C)cc2)C1 ZINC000466878351 502711989 /nfs/dbraw/zinc/71/19/89/502711989.db2.gz RWKMMTOELZVVFY-IBGZPJMESA-N 2 0 374.573 3.102 20 0 FGADRP CC[C@H](C)[NH2+][C@@H](CNC(=O)NC[C@H](C)[NH+]1CCC(C)CC1)c1ccco1 ZINC000488455280 502719057 /nfs/dbraw/zinc/71/90/57/502719057.db2.gz COMTWOREGSVIHL-BZSNNMDCSA-N 2 0 364.534 3.128 20 0 FGADRP C[NH+](C)CC1CC[NH+](CC(=O)N[C@@H](c2ccccc2)C2CCCC2)CC1 ZINC000480997425 502723721 /nfs/dbraw/zinc/72/37/21/502723721.db2.gz IKGQAJSMYJRSLW-QFIPXVFZSA-N 2 0 357.542 3.308 20 0 FGADRP CC[NH+](CC)CCN(Cc1ccccc1)C(=O)NC[C@@H]1CCCC[N@@H+]1CC ZINC000477340483 502747856 /nfs/dbraw/zinc/74/78/56/502747856.db2.gz UENILOLAKATWOU-NRFANRHFSA-N 2 0 374.573 3.414 20 0 FGADRP C[NH+](C)CCOc1ccc(NC(=O)c2ccc3c(c2)C[NH2+]C3)cc1Cl ZINC000470375249 502753957 /nfs/dbraw/zinc/75/39/57/502753957.db2.gz RAKBNCFRTWUGIV-UHFFFAOYSA-N 2 0 359.857 3.136 20 0 FGADRP CC[N@@H+]1CC[C@H]([NH+](C)CCC(=O)NCc2ccccc2Cl)C[C@@H]1C ZINC000484923975 502778956 /nfs/dbraw/zinc/77/89/56/502778956.db2.gz VPBLQMKWIQFDBH-RDJZCZTQSA-N 2 0 351.922 3.151 20 0 FGADRP C[C@H]([NH3+])[C@H]1CCN(CC(=O)Nc2ccccc2Sc2ccccc2)C1 ZINC000484946869 502784786 /nfs/dbraw/zinc/78/47/86/502784786.db2.gz NTYRQFOMICADGU-HOTGVXAUSA-N 2 0 355.507 3.445 20 0 FGADRP O=C(C[NH2+][C@H](CC1CCC1)c1ccccc1)NC1CC[NH+](C2CC2)CC1 ZINC000481253253 502797564 /nfs/dbraw/zinc/79/75/64/502797564.db2.gz HPPXRXJORQPGRP-OAQYLSRUSA-N 2 0 355.526 3.251 20 0 FGADRP CC[N@@H+](CC(=O)NC[C@@H](c1ccc(OC)cc1)[NH+]1CCCCC1)CC1CC1 ZINC000485010166 502800086 /nfs/dbraw/zinc/80/00/86/502800086.db2.gz RJMNBXYLNASPHX-NRFANRHFSA-N 2 0 373.541 3.070 20 0 FGADRP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000500769825 502859542 /nfs/dbraw/zinc/85/95/42/502859542.db2.gz SLJAOOHWJGQXOB-HDICACEKSA-N 2 0 352.567 3.013 20 0 FGADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)NCCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000500840853 502875030 /nfs/dbraw/zinc/87/50/30/502875030.db2.gz VLSDROHAORWXPK-SLFFLAALSA-N 2 0 366.594 3.308 20 0 FGADRP CCC[NH+]1CCN(c2ccccc2CN2CCC[N@@H+](C(C)C)CC2)CC1 ZINC000505288903 502882819 /nfs/dbraw/zinc/88/28/19/502882819.db2.gz BKKMKMAANNHFLY-UHFFFAOYSA-N 2 0 358.574 3.135 20 0 FGADRP CCCN(CC[NH+]1CCCC1)C(=O)NC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000496573428 502895492 /nfs/dbraw/zinc/89/54/92/502895492.db2.gz OLHGEKFNHFCUKJ-LJQANCHMSA-N 2 0 360.546 3.024 20 0 FGADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)NCCCC[NH+]1CCCC[C@H]1C ZINC000501043682 502920381 /nfs/dbraw/zinc/92/03/81/502920381.db2.gz DIXKDLDZIOHIPO-RTBURBONSA-N 2 0 352.567 3.205 20 0 FGADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)NC[C@@H](c1ccc(C)cc1)[NH+](C)C ZINC000501045896 502920666 /nfs/dbraw/zinc/92/06/66/502920666.db2.gz OFXPEQHMUJEIJR-UXHICEINSA-N 2 0 360.546 3.161 20 0 FGADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)NCCCC[NH+]1CCC[C@@H](C)C1 ZINC000501049070 502922056 /nfs/dbraw/zinc/92/20/56/502922056.db2.gz SNYHABJVRWEEKG-MOPGFXCFSA-N 2 0 352.567 3.062 20 0 FGADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)NC[C@H](C)[NH+](C)Cc1ccccc1 ZINC000501062266 502925337 /nfs/dbraw/zinc/92/53/37/502925337.db2.gz IKDDCNKACQAVQL-ICSRJNTNSA-N 2 0 360.546 3.071 20 0 FGADRP CCc1ccc([C@@H]2CCC[N@H+](CC(=O)NC3CC[NH+](C4CC4)CC3)C2)cc1 ZINC000513405790 502929197 /nfs/dbraw/zinc/92/91/97/502929197.db2.gz IVROXMWEXUGXRK-HXUWFJFHSA-N 2 0 369.553 3.171 20 0 FGADRP C[C@H](NC(=O)NC[C@H](c1cccs1)[NH+](C)C)[C@@H](c1ccccc1)[NH+](C)C ZINC000505726878 502974252 /nfs/dbraw/zinc/97/42/52/502974252.db2.gz NWSMVJHKINHBFV-WDYCEAGBSA-N 2 0 374.554 3.341 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@@H](C)Sc1ccccc1 ZINC000505760525 502980256 /nfs/dbraw/zinc/98/02/56/502980256.db2.gz TWRNUXRYQSCCPF-QZTJIDSGSA-N 2 0 363.571 3.042 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CC(C)(C)c1ccccc1 ZINC000505819664 502992184 /nfs/dbraw/zinc/99/21/84/502992184.db2.gz SUZBDDFGKBXXKE-FQEVSTJZSA-N 2 0 359.558 3.229 20 0 FGADRP CC[NH+](CC)CC1CCN(C(=O)NC[C@@H](C2CCCCC2)[NH+](C)C)CC1 ZINC000501379468 502996878 /nfs/dbraw/zinc/99/68/78/502996878.db2.gz AZDAWIAWKWDUMJ-FQEVSTJZSA-N 2 0 366.594 3.260 20 0 FGADRP C[C@H](CNC(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1)[NH+]1CCCC[C@@H]1C ZINC000501488892 503019082 /nfs/dbraw/zinc/01/90/82/503019082.db2.gz DQUQGSMNRIGWGW-ZGXWSNOMSA-N 2 0 366.594 3.307 20 0 FGADRP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000501508047 503023784 /nfs/dbraw/zinc/02/37/84/503023784.db2.gz XYNJSJVZUYHUOT-FUHWJXTLSA-N 2 0 366.575 3.305 20 0 FGADRP C[C@@H]1CCCC[C@@H]1OCC[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000506030000 503032998 /nfs/dbraw/zinc/03/29/98/503032998.db2.gz DYBJRUWVEKGZGY-CTNGQTDRSA-N 2 0 352.563 3.406 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)NCC[NH+]1CCC(C)CC1)c1ccccc1 ZINC000501545377 503034172 /nfs/dbraw/zinc/03/41/72/503034172.db2.gz HFZMABWVCDWDQK-HXUWFJFHSA-N 2 0 360.546 3.101 20 0 FGADRP CCC[C@@H]([NH2+]C(C)C)C(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000497758635 503035200 /nfs/dbraw/zinc/03/52/00/503035200.db2.gz LHLGKHWIQVITOF-QGZVFWFLSA-N 2 0 355.592 3.021 20 0 FGADRP CC[NH+](CC)CC1CCN(C(=O)NC[C@@H](C)[N@@H+]2CCCC[C@H]2C)CC1 ZINC000501550414 503035499 /nfs/dbraw/zinc/03/54/99/503035499.db2.gz KPQHIDYMQMMJFM-QZTJIDSGSA-N 2 0 352.567 3.013 20 0 FGADRP COc1ccc([C@H](C[NH2+]Cc2ncc(CN(C)C)s2)N2CCCC2)cc1 ZINC000510175454 503064812 /nfs/dbraw/zinc/06/48/12/503064812.db2.gz JSBHIGISGTUMGH-IBGZPJMESA-N 2 0 374.554 3.140 20 0 FGADRP COCC[N@H+](C)CCCC1CC[NH+](Cc2cc(F)ccc2OC)CC1 ZINC000501786099 503079420 /nfs/dbraw/zinc/07/94/20/503079420.db2.gz PKNOSKLPRDDRFI-UHFFFAOYSA-N 2 0 352.494 3.405 20 0 FGADRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCCCC[NH+]2CCCC[C@H]2C)C1 ZINC000514126708 503094771 /nfs/dbraw/zinc/09/47/71/503094771.db2.gz LHSXEFYMXUAECS-RTBURBONSA-N 2 0 366.594 3.451 20 0 FGADRP Cc1ccc([C@@H](CNC(=O)c2ccc(-n3ccnc3)cc2)[NH+]2CCCC2)o1 ZINC000506349919 503098710 /nfs/dbraw/zinc/09/87/10/503098710.db2.gz FAJUYDXFCYYKRE-LJQANCHMSA-N 2 0 364.449 3.341 20 0 FGADRP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)CCOc2cccc(C(C)(C)C)c2)CC1 ZINC000506448743 503116601 /nfs/dbraw/zinc/11/66/01/503116601.db2.gz UTKPTRBFDILELB-GOSISDBHSA-N 2 0 362.558 3.388 20 0 FGADRP C[C@@H](NC(=O)NCC[N@H+](C)C1CCCCC1)[C@@H](c1ccccc1)[NH+](C)C ZINC000490172699 503122136 /nfs/dbraw/zinc/12/21/36/503122136.db2.gz QCCZVTSGDRTULG-XLIONFOSSA-N 2 0 360.546 3.242 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(CC(=O)NCCCc2ccccc2)C1 ZINC000506472749 503122200 /nfs/dbraw/zinc/12/22/00/503122200.db2.gz USSMJMOROVXYMF-IRLDBZIGSA-N 2 0 371.569 3.322 20 0 FGADRP CC[NH+](CC)Cc1ccc(CNC(=O)N2C[C@H](C)[N@H+](CC)C[C@@H]2C)cc1 ZINC000498250034 503142516 /nfs/dbraw/zinc/14/25/16/503142516.db2.gz HAEBJCZSHOFTNR-ROUUACIJSA-N 2 0 360.546 3.153 20 0 FGADRP CC[C@@H](C)[NH2+][C@H](CNC(=O)NCCC1CC[NH+](CC)CC1)c1ccco1 ZINC000498393135 503178002 /nfs/dbraw/zinc/17/80/02/503178002.db2.gz XYHKJBZZEDKVQT-SJLPKXTDSA-N 2 0 364.534 3.130 20 0 FGADRP CC(C)[NH+]1CCC(C(=O)N[C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000490762099 503224457 /nfs/dbraw/zinc/22/44/57/503224457.db2.gz WWVPNSUGECKGTC-RXVVDRJESA-N 2 0 357.542 3.134 20 0 FGADRP Cc1nccn1CCCC[NH2+]C[C@@H](O)CO[C@@H]1CCCc2ccccc21 ZINC000514933086 503230841 /nfs/dbraw/zinc/23/08/41/503230841.db2.gz NOBXCCPFKUGFFA-TZIWHRDSSA-N 2 0 357.498 3.016 20 0 FGADRP Cc1ccnc([C@H]2CC[N@H+](CCCN3CCN(c4ccccc4)CC3)C2)c1 ZINC000514947775 503233430 /nfs/dbraw/zinc/23/34/30/503233430.db2.gz JYSMJDLQXAMZAV-NRFANRHFSA-N 2 0 364.537 3.392 20 0 FGADRP CC1CC[NH+](CCCCNC(=O)N(CC[NH+](C)C)Cc2ccccc2)CC1 ZINC000502773148 503269249 /nfs/dbraw/zinc/26/92/49/503269249.db2.gz FUFBCLNLFPILNW-UHFFFAOYSA-N 2 0 374.573 3.272 20 0 FGADRP CC1CC[NH+](C[C@@H]2CCCN(C[C@H](O)COc3ccccc3F)C2)CC1 ZINC000498858424 503277347 /nfs/dbraw/zinc/27/73/47/503277347.db2.gz UNGGFHHVKHKSPQ-OALUTQOASA-N 2 0 364.505 3.009 20 0 FGADRP C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)N2CCC([NH+]3CCCC3)CC2)C1 ZINC000502820904 503280620 /nfs/dbraw/zinc/28/06/20/503280620.db2.gz BIQXQYYADHCTMR-OALUTQOASA-N 2 0 364.578 3.014 20 0 FGADRP CCCN(CC[NH+]1CCCC1)C(=O)NCC1CC[NH+](CCC(C)C)CC1 ZINC000498888125 503283704 /nfs/dbraw/zinc/28/37/04/503283704.db2.gz FCNRXFXKHBIMBL-UHFFFAOYSA-N 2 0 366.594 3.262 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)NC[C@H]1CCC[N@H+](CC)C1)c1ccsc1 ZINC000507390732 503292144 /nfs/dbraw/zinc/29/21/44/503292144.db2.gz LRTPQVLKSMFAMO-SJLPKXTDSA-N 2 0 366.575 3.162 20 0 FGADRP C[C@H]1C[C@@H]([NH2+]Cc2ccc(C(=O)NCC[NH+](C)C)cc2)c2ccccc21 ZINC000582688933 506366826 /nfs/dbraw/zinc/36/68/26/506366826.db2.gz VKWCYGFEDPWCBT-HRAATJIYSA-N 2 0 351.494 3.316 20 0 FGADRP C[C@@H]1CN(c2ccccn2)C[C@H]1C(=O)NCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000507452246 503300664 /nfs/dbraw/zinc/30/06/64/503300664.db2.gz USBLHTAYSGVKDX-FCGDIQPGSA-N 2 0 372.557 3.027 20 0 FGADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)N[C@@H](C)C[NH+]1CCCCC1)c1ccccc1 ZINC000502916182 503307445 /nfs/dbraw/zinc/30/74/45/503307445.db2.gz DPIJKMFAUMMVJZ-ZWKOTPCHSA-N 2 0 360.546 3.289 20 0 FGADRP C[C@@H]1C[C@@H](NC(=O)N[C@@H]2CC[NH+](Cc3ccccc3)CC2(C)C)CC[N@@H+]1C ZINC000511502783 503333991 /nfs/dbraw/zinc/33/39/91/503333991.db2.gz FOURYZXGBMBPCY-YZGWKJHDSA-N 2 0 372.557 3.069 20 0 FGADRP CC[C@H](C[NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)c1ccccc1 ZINC000503046350 503334768 /nfs/dbraw/zinc/33/47/68/503334768.db2.gz DADJJSUOUSRQNR-LJQANCHMSA-N 2 0 353.510 3.261 20 0 FGADRP Cc1ccc(F)c(N2CCC[C@H]([N@@H+]3CC[C@@H](C)[C@H](n4ccnc4)C3)C2=O)c1 ZINC000503071698 503341431 /nfs/dbraw/zinc/34/14/31/503341431.db2.gz AWOALUZORBDFNC-IMFGXOCKSA-N 2 0 370.472 3.409 20 0 FGADRP C[C@H]1[C@@H](NC(=O)NCC(C)(C)C[NH+]2CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000503086526 503343242 /nfs/dbraw/zinc/34/32/42/503343242.db2.gz UUYJNTBCNBIVGO-ICSRJNTNSA-N 2 0 372.557 3.071 20 0 FGADRP CC[NH+](CC)CCNC(=O)NCC1([NH2+][C@H](C)c2ccccc2)CCCC1 ZINC000503114175 503349617 /nfs/dbraw/zinc/34/96/17/503349617.db2.gz ZALWBQLSRSVYDT-GOSISDBHSA-N 2 0 360.546 3.291 20 0 FGADRP Cc1ccc(C[N@@H+]2CCCN(C(=O)C[NH2+][C@@H]3CCCC3(C)C)CC2)cc1 ZINC000492887364 503391194 /nfs/dbraw/zinc/39/11/94/503391194.db2.gz HFKMGWHHHRBZBD-HXUWFJFHSA-N 2 0 357.542 3.198 20 0 FGADRP CC[NH+]1CCN(Cc2ccc(NC(=O)[C@H](C)[NH+]3[C@H](C)CC[C@H]3C)cc2)CC1 ZINC000507958116 503404121 /nfs/dbraw/zinc/40/41/21/503404121.db2.gz VCSUZIXYEAGLMG-QRVBRYPASA-N 2 0 372.557 3.024 20 0 FGADRP C[C@@H]1[C@@H](NC(=O)N[C@H]2CC[NH+](Cc3ccccc3)CC2(C)C)CCC[N@@H+]1C ZINC000511882870 503407215 /nfs/dbraw/zinc/40/72/15/503407215.db2.gz XOQSNOLBHDNJOI-HOJAQTOUSA-N 2 0 372.557 3.069 20 0 FGADRP C[NH+](C)CCn1ccc(C(=O)Nc2ccc(C[NH+]3CCCCCC3)cc2)n1 ZINC000515865967 503413481 /nfs/dbraw/zinc/41/34/81/503413481.db2.gz AFVDUZFKBSTROS-UHFFFAOYSA-N 2 0 369.513 3.073 20 0 FGADRP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CCCc4ccc(O)cc43)cn2)CC1 ZINC000515982844 503427818 /nfs/dbraw/zinc/42/78/18/503427818.db2.gz QWCIHWVMGFUDQT-OAQYLSRUSA-N 2 0 366.509 3.096 20 0 FGADRP CC[N@H+](CCC1CCN(C(=O)NCc2ccc(C[NH3+])cc2)CC1)CC(C)C ZINC000516058600 503438875 /nfs/dbraw/zinc/43/88/75/503438875.db2.gz IYQBWXGACQFGAK-UHFFFAOYSA-N 2 0 374.573 3.435 20 0 FGADRP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc(OC)c3oc(C(=O)OC)cc32)C1 ZINC000508141297 503440179 /nfs/dbraw/zinc/44/01/79/503440179.db2.gz MJOURAWJRNZKDA-AWEZNQCLSA-N 2 0 360.454 3.050 20 0 FGADRP C[C@](O)(C[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1)C(F)(F)F ZINC000499601398 503441011 /nfs/dbraw/zinc/44/10/11/503441011.db2.gz XOLXHGLDAVRYPE-KRWDZBQOSA-N 2 0 356.432 3.288 20 0 FGADRP C[C@@H]([NH3+])[C@H](C)C(=O)N(CC[N@H+](C)Cc1ccccc1)Cc1ccccc1 ZINC000493824671 503448262 /nfs/dbraw/zinc/44/82/62/503448262.db2.gz TYQNOLKDQKVPHL-RBUKOAKNSA-N 2 0 353.510 3.131 20 0 FGADRP CC(C)CN(CC[NH+](C)C)C(=O)N[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000516163554 503460088 /nfs/dbraw/zinc/46/00/88/503460088.db2.gz HFINYXIQPIBQCT-QUCCMNQESA-N 2 0 360.546 3.051 20 0 FGADRP CC(C)C1CCC(C[NH2+]CCCC[NH+]2CCN(c3ncccn3)CC2)CC1 ZINC000512124461 503463302 /nfs/dbraw/zinc/46/33/02/503463302.db2.gz RFQWLHUWWVZFBC-UHFFFAOYSA-N 2 0 373.589 3.431 20 0 FGADRP COCCN1CCC[C@H]1C[NH2+][C@H]1CCc2cc(Br)cc(C)c21 ZINC000493966416 503467100 /nfs/dbraw/zinc/46/71/00/503467100.db2.gz AQMKHUFICUTUBH-IRXDYDNUSA-N 2 0 367.331 3.445 20 0 FGADRP COc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]CCC[NH+]1CCCC1 ZINC000512137419 503467258 /nfs/dbraw/zinc/46/72/58/503467258.db2.gz HLTCNOPGRZOGHE-CQSZACIVSA-N 2 0 353.894 3.141 20 0 FGADRP Cc1c2ccccc2oc1C(=O)Nc1c[nH+]ccc1N1CCN(C)CC1 ZINC000516207043 503470413 /nfs/dbraw/zinc/47/04/13/503470413.db2.gz NNCYMNZHMSTOSS-UHFFFAOYSA-N 2 0 350.422 3.140 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)NCCC1CC[NH+](C)CC1 ZINC000499797368 503484886 /nfs/dbraw/zinc/48/48/86/503484886.db2.gz OEBPTBHJGXHKHK-RBUKOAKNSA-N 2 0 372.557 3.023 20 0 FGADRP O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)c1cccc(C[NH+]2CCCC2)c1 ZINC000516383221 503504644 /nfs/dbraw/zinc/50/46/44/503504644.db2.gz PPPFCYLZROERBA-HXUWFJFHSA-N 2 0 367.493 3.442 20 0 FGADRP CC(C)C[NH+]1CCC(NC(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)CC1 ZINC000503992600 503506134 /nfs/dbraw/zinc/50/61/34/503506134.db2.gz VMYHTELUNLELDL-NRFANRHFSA-N 2 0 372.557 3.243 20 0 FGADRP C[N@H+](CCC[NH+]1CCCC1)CCC(=O)Nc1cccc(Br)c1 ZINC000499905496 503508097 /nfs/dbraw/zinc/50/80/97/503508097.db2.gz JKDMENGZPSGSNK-UHFFFAOYSA-N 2 0 368.319 3.195 20 0 FGADRP CCC(CC)[C@H](CNC(=O)NCc1cccc(C[NH+](C)C)c1)[NH+]1CCCC1 ZINC000504191884 503537116 /nfs/dbraw/zinc/53/71/16/503537116.db2.gz WMADDXDFDMQUKC-NRFANRHFSA-N 2 0 374.573 3.448 20 0 FGADRP Cc1ccc(C(=O)NCC[NH2+][C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000508693740 503544522 /nfs/dbraw/zinc/54/45/22/503544522.db2.gz BJQXSLDCWAVDJZ-SIKLNZKXSA-N 2 0 365.521 3.225 20 0 FGADRP CC[N@@H+]1CCCN(C(=O)NCC[C@@H]2C[C@@H](C)[NH+](Cc3ccccc3)C2)CC1 ZINC000512423678 503546035 /nfs/dbraw/zinc/54/60/35/503546035.db2.gz JBSHAEHWHNHCDT-TZIWHRDSSA-N 2 0 372.557 3.024 20 0 FGADRP C[C@H](N[C@H](CO)c1c(F)cccc1F)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508719166 503550681 /nfs/dbraw/zinc/55/06/81/503550681.db2.gz KMCJKGKTPFGLCV-XAUMDUMWSA-N 2 0 360.448 3.498 20 0 FGADRP C[C@@H](CNC(=O)NCc1cccc(C[NH+]2CCCC2)c1)[N@@H+]1CCCC[C@@H]1C ZINC000500103642 503554953 /nfs/dbraw/zinc/55/49/53/503554953.db2.gz KNUBNJLGMXTZEV-OALUTQOASA-N 2 0 372.557 3.345 20 0 FGADRP C[C@@H](CNC(=O)NCc1cccc(C[NH+]2CCCC2)c1)[N@@H+]1CCC[C@@H](C)C1 ZINC000500102735 503555076 /nfs/dbraw/zinc/55/50/76/503555076.db2.gz FSVVDRBVNAJEMV-MOPGFXCFSA-N 2 0 372.557 3.202 20 0 FGADRP Cn1nccc1-c1ccccc1C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000508808930 503568118 /nfs/dbraw/zinc/56/81/18/503568118.db2.gz BMCCPQZZPKEKOL-UHFFFAOYSA-N 2 0 368.525 3.164 20 0 FGADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@H](C)[C@H](c2ccccc2C)[NH+](C)C)C1 ZINC000508860226 503580620 /nfs/dbraw/zinc/58/06/20/503580620.db2.gz DGXRKUQQKOHUSR-SVFBPWRDSA-N 2 0 374.573 3.360 20 0 FGADRP C[C@H](NC(=O)N1CCC[N@@H+](C2CCCC2)CC1)[C@H](c1ccccc1)[NH+](C)C ZINC000508872393 503583867 /nfs/dbraw/zinc/58/38/67/503583867.db2.gz RQQGDYGBVRVAKA-GHTZIAJQSA-N 2 0 372.557 3.338 20 0 FGADRP Cc1ccccc1[C@H]([C@@H](C)NC(=O)N1CC[NH+](C2CCCC2)CC1)[NH+](C)C ZINC000508871246 503584610 /nfs/dbraw/zinc/58/46/10/503584610.db2.gz PFGCMYUDDDKKCS-NQIIRXRSSA-N 2 0 372.557 3.256 20 0 FGADRP FC(F)(F)COCC[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000512637200 503600634 /nfs/dbraw/zinc/60/06/34/503600634.db2.gz SMWWXZIEEAUFAU-OKZBNKHCSA-N 2 0 356.432 3.456 20 0 FGADRP O=C1CCCCN1CCC[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000512654077 503603740 /nfs/dbraw/zinc/60/37/40/503603740.db2.gz JCFCNSNEWXKXNJ-YPAWHYETSA-N 2 0 369.553 3.279 20 0 FGADRP COc1ccc(C(=O)CC[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)cc1 ZINC000508980758 503611996 /nfs/dbraw/zinc/61/19/96/503611996.db2.gz YPXZPVHQOGXJMQ-UHFFFAOYSA-N 2 0 374.525 3.092 20 0 FGADRP CCOC1CC(C[NH2+][C@H](C)c2cc(F)ccc2N2CC[NH+](CC)CC2)C1 ZINC000509031460 503625739 /nfs/dbraw/zinc/62/57/39/503625739.db2.gz KXZVHBJLSZQQQB-LRYGQEGESA-N 2 0 363.521 3.433 20 0 FGADRP CC[NH+]1CCN([C@H](C)C[NH2+]C[C@@H](C)c2ccc(C(F)(F)F)cc2)CC1 ZINC000517202631 503671809 /nfs/dbraw/zinc/67/18/09/503671809.db2.gz PFGLSMBLZPWUPZ-HZPDHXFCSA-N 2 0 357.464 3.425 20 0 FGADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC000495122870 503675589 /nfs/dbraw/zinc/67/55/89/503675589.db2.gz TVWFJJOFKDFMLT-QUCCMNQESA-N 2 0 357.542 3.450 20 0 FGADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2c[nH]nc2-c2ccc(C)cc2)C1 ZINC000536696507 503684645 /nfs/dbraw/zinc/68/46/45/503684645.db2.gz STXITXFVOFSZIG-HXUWFJFHSA-N 2 0 356.514 3.318 20 0 FGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC2CCN(c3cc[nH+]cc3)CC2)[C@@H](C)C1 ZINC000540137807 503685449 /nfs/dbraw/zinc/68/54/49/503685449.db2.gz RDPOVVOIZXUWED-SIKLNZKXSA-N 2 0 374.573 3.025 20 0 FGADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]C(C)(C)C(=O)NCC1CCCCC1 ZINC000543234992 503690466 /nfs/dbraw/zinc/69/04/66/503690466.db2.gz CKXIRFOFDCZILZ-UHFFFAOYSA-N 2 0 369.513 3.140 20 0 FGADRP Cc1c([C@H](C)[NH2+]CCCC[NH+]2C[C@@H](C)O[C@H](C)C2)nnn1-c1ccccc1 ZINC000540169703 503695599 /nfs/dbraw/zinc/69/55/99/503695599.db2.gz HTRJRDUSHXVDFU-KURKYZTESA-N 2 0 371.529 3.116 20 0 FGADRP C[C@H](NC(=O)[C@H](C)[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1)c1ccc(Cl)cc1 ZINC000517371924 503728602 /nfs/dbraw/zinc/72/86/02/503728602.db2.gz LNLIMHPXAYNTBW-RLFYNMQTSA-N 2 0 363.933 3.227 20 0 FGADRP C[C@H](CCC(F)(F)F)[NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000543401652 503755534 /nfs/dbraw/zinc/75/55/34/503755534.db2.gz ZSEOVGWGQOJUCR-PBHICJAKSA-N 2 0 371.447 3.205 20 0 FGADRP CCCC[NH+]1CCC(NC(=O)NC[C@@H]2CCCC[N@@H+]2CCCC)CC1 ZINC000517505872 503760078 /nfs/dbraw/zinc/76/00/78/503760078.db2.gz GNZCXCZSOSHKAO-IBGZPJMESA-N 2 0 352.567 3.205 20 0 FGADRP C[C@H](CC[NH2+][C@@H](C)[C@@H](c1ccccc1)N1CCOCC1)[NH+]1CCCCC1 ZINC000543417894 503761710 /nfs/dbraw/zinc/76/17/10/503761710.db2.gz HHFBIZGFYBHTNI-URVUXULASA-N 2 0 359.558 3.303 20 0 FGADRP Cc1nn(C)cc1C[NH2+]CCc1ccc(OCC[NH+]2C[C@H](C)[C@@H](C)C2)cc1 ZINC000537023784 503779577 /nfs/dbraw/zinc/77/95/77/503779577.db2.gz MQISBNWPTPQAPG-ROUUACIJSA-N 2 0 370.541 3.027 20 0 FGADRP CC[NH+](CC)CCCC1CCN(C(=O)NCC[N@H+]2CC=C(C)CC2)CC1 ZINC000546590688 503800109 /nfs/dbraw/zinc/80/01/09/503800109.db2.gz RQABMXAFAWYHMG-UHFFFAOYSA-N 2 0 364.578 3.182 20 0 FGADRP CCC[NH+]1CCC(C[NH2+]C[C@H](O)COc2cccc(C(F)(F)F)c2)CC1 ZINC000517733108 503821074 /nfs/dbraw/zinc/82/10/74/503821074.db2.gz XXCPSURXFCBGRP-KRWDZBQOSA-N 2 0 374.447 3.157 20 0 FGADRP C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000517740754 503823208 /nfs/dbraw/zinc/82/32/08/503823208.db2.gz UDKILFNUKSPVKV-ROUUACIJSA-N 2 0 352.567 3.061 20 0 FGADRP C[C@@H]([NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1)c1cccc(F)c1F ZINC000540644753 503843390 /nfs/dbraw/zinc/84/33/90/503843390.db2.gz RNBDZNYPEWIMLR-MRXNPFEDSA-N 2 0 360.452 3.223 20 0 FGADRP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@@H+]([C@H](C)C3CC3)C3CC3)CC2)cc1 ZINC000546706764 503845387 /nfs/dbraw/zinc/84/53/87/503845387.db2.gz OMDJJFVWJLXPOB-LJQANCHMSA-N 2 0 369.553 3.292 20 0 FGADRP CC(C)CC[NH+]1CCC(CNC(=O)N(C)[C@@H](C)C2CC[NH+](C)CC2)CC1 ZINC000543667773 503846285 /nfs/dbraw/zinc/84/62/85/503846285.db2.gz JXXSQPUEEPXTOI-SFHVURJKSA-N 2 0 366.594 3.116 20 0 FGADRP CC(C)[C@H](CNC(=O)N[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1)[NH+]1CCCC1 ZINC000517889396 503859455 /nfs/dbraw/zinc/85/94/55/503859455.db2.gz KZGQTCIRZWIBKI-NRSPTQNISA-N 2 0 372.557 3.242 20 0 FGADRP CC[NH+]1CCN(Cc2ccc(C[NH2+]Cc3ccncc3Cl)cc2)CC1 ZINC000527638748 503870983 /nfs/dbraw/zinc/87/09/83/503870983.db2.gz YLLWXUHWUIYBLR-UHFFFAOYSA-N 2 0 358.917 3.162 20 0 FGADRP COc1cccc([C@H](C[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)OC)c1 ZINC000530213116 503879441 /nfs/dbraw/zinc/87/94/41/503879441.db2.gz VCMQRKMQZIRMKB-ILWGZMRPSA-N 2 0 368.477 3.228 20 0 FGADRP Cc1cccc(C(C)C)c1NC(=O)CN1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530239275 503888043 /nfs/dbraw/zinc/88/80/43/503888043.db2.gz RBYUBBAIGXSMHS-LJQANCHMSA-N 2 0 373.541 3.147 20 0 FGADRP Fc1ccc(CN2CCC(CO[C@@H]3CC[NH2+]C3)CC2)cc1Br ZINC000530238783 503888706 /nfs/dbraw/zinc/88/87/06/503888706.db2.gz CDCXFMWGGVDIEQ-OAHLLOKOSA-N 2 0 371.294 3.179 20 0 FGADRP Cc1cc2oc(=O)cc(C[NH+]3CCC(CO[C@H]4CC[NH2+]C4)CC3)c2cc1C ZINC000530239437 503889639 /nfs/dbraw/zinc/88/96/39/503889639.db2.gz FXIOZGPRPTWAPU-IBGZPJMESA-N 2 0 370.493 3.000 20 0 FGADRP Cc1cc(Br)ccc1C[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530241776 503890324 /nfs/dbraw/zinc/89/03/24/503890324.db2.gz RCZBAPOGDFSHMJ-SFHVURJKSA-N 2 0 367.331 3.348 20 0 FGADRP Cc1cc(Br)c(C[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)s1 ZINC000530248279 503894181 /nfs/dbraw/zinc/89/41/81/503894181.db2.gz IAMNCGQVGUDALK-AWEZNQCLSA-N 2 0 373.360 3.410 20 0 FGADRP Cc1cc(C[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)c(OC(F)F)cc1C ZINC000530248857 503894563 /nfs/dbraw/zinc/89/45/63/503894563.db2.gz QRKBWTFBIUJRKT-SFHVURJKSA-N 2 0 368.468 3.495 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)N2CC[C@H]([NH+]3CCCCC3)C2)C1 ZINC000518067824 503902821 /nfs/dbraw/zinc/90/28/21/503902821.db2.gz DKWYBOLPCCIGFN-OTWHNJEPSA-N 2 0 364.578 3.013 20 0 FGADRP C[NH+](C)[C@H](CNC(=O)c1ccc(Nc2cc[nH+]cc2)cc1)Cc1ccccc1 ZINC000533813828 503958782 /nfs/dbraw/zinc/95/87/82/503958782.db2.gz DLPNWZJQJPPMBV-QFIPXVFZSA-N 2 0 374.488 3.150 20 0 FGADRP CC[N@@H+]1CCC[C@H](C[NH2+]C2CCN(C(=O)c3ccccc3Cl)CC2)C1 ZINC000544003528 503967881 /nfs/dbraw/zinc/96/78/81/503967881.db2.gz NSUAHNCVAKFCEP-MRXNPFEDSA-N 2 0 363.933 3.266 20 0 FGADRP COc1ccc([C@@H](CCn2cncn2)[NH2+]C[C@@H]2CCN2C2CCCC2)cc1 ZINC000528001612 504034525 /nfs/dbraw/zinc/03/45/25/504034525.db2.gz MJBQPPGCBHEUJW-PZJWPPBQSA-N 2 0 369.513 3.025 20 0 FGADRP C[C@@H](CC(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1cccc(C(F)(F)F)c1 ZINC000530641339 504035781 /nfs/dbraw/zinc/03/57/81/504035781.db2.gz DGVORCLGRKYUQK-HNNXBMFYSA-N 2 0 373.463 3.151 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H]1c2ccccc2C(=O)N1C ZINC000528008699 504037830 /nfs/dbraw/zinc/03/78/30/504037830.db2.gz XAKAXRMFHXAZAM-VOQZNFBZSA-N 2 0 363.505 3.314 20 0 FGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000537792456 504044195 /nfs/dbraw/zinc/04/41/95/504044195.db2.gz MUEIKARLCYQUEZ-HXUWFJFHSA-N 2 0 358.530 3.021 20 0 FGADRP COC(=O)c1cc2c(o1)c(OC)ccc2C[NH2+]C[C@H](C)C[NH+]1CCCCC1 ZINC000530664732 504044620 /nfs/dbraw/zinc/04/46/20/504044620.db2.gz VGVDXSLFUDEDQB-HNNXBMFYSA-N 2 0 374.481 3.440 20 0 FGADRP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)NCCC[NH2+]C1CCCCC1 ZINC000518723663 504049465 /nfs/dbraw/zinc/04/94/65/504049465.db2.gz KLXLKBCDYHBFOO-IBGZPJMESA-N 2 0 352.567 3.253 20 0 FGADRP C[C@@H](CCNC(=O)NCCC[N@H+](C)Cc1ccccc1)[NH+]1CCCCC1 ZINC000544252710 504061127 /nfs/dbraw/zinc/06/11/27/504061127.db2.gz DMLBSJYOJYDQSA-IBGZPJMESA-N 2 0 360.546 3.072 20 0 FGADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]Cc1ccccc1Cn1ccnc1 ZINC000518836835 504076048 /nfs/dbraw/zinc/07/60/48/504076048.db2.gz SEXGOVCONKUWDV-UHFFFAOYSA-N 2 0 358.449 3.110 20 0 FGADRP C[C@@H]1CCCN(C(=O)C[NH+]2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)C1 ZINC000534230476 504078250 /nfs/dbraw/zinc/07/82/50/504078250.db2.gz WGOKNJJDSXCJDX-HXUWFJFHSA-N 2 0 369.553 3.233 20 0 FGADRP C[C@@H](CCN1C(=O)c2ccccc2C1=O)[NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000547367967 504078733 /nfs/dbraw/zinc/07/87/33/504078733.db2.gz YFTAGQFMSWSJDJ-MSOLQXFVSA-N 2 0 371.525 3.163 20 0 FGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccccc2-c2cnn(C)c2)[C@@H](C)C1 ZINC000537952499 504094419 /nfs/dbraw/zinc/09/44/19/504094419.db2.gz IDIWRWDVNMLYDT-PGRDOPGGSA-N 2 0 370.541 3.314 20 0 FGADRP C[C@@H]1C[N@@H+](CCCC[NH2+][C@@H]2CCN(Cc3ccccc3)C[C@@H]2C)C[C@H](C)O1 ZINC000537971272 504099193 /nfs/dbraw/zinc/09/91/93/504099193.db2.gz GNZDJRUNOKZWHV-NNXSRULWSA-N 2 0 373.585 3.376 20 0 FGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H](c2ccc3[nH]c(=O)oc3c2)C(C)C)CC1 ZINC000538098111 504133186 /nfs/dbraw/zinc/13/31/86/504133186.db2.gz AMLHAWHHWGLOIC-OXQOHEQNSA-N 2 0 374.529 3.094 20 0 FGADRP COCC[C@@H](c1ccccc1)[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000544491617 504152483 /nfs/dbraw/zinc/15/24/83/504152483.db2.gz QDWRCULVEGPWFU-NRFANRHFSA-N 2 0 359.558 3.114 20 0 FGADRP CC(C)[N@@H+]1CC[C@@H](CNC(=O)NC[C@@H]2CCC[NH+]2CC2CCCCC2)C1 ZINC000531003660 504159158 /nfs/dbraw/zinc/15/91/58/504159158.db2.gz HDIXIPWLZVAMSI-PMACEKPBSA-N 2 0 364.578 3.061 20 0 FGADRP O[C@H](CCc1ccccc1)C[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000541535946 504167588 /nfs/dbraw/zinc/16/75/88/504167588.db2.gz YOGYWEQLKHGWHQ-UARRHKHWSA-N 2 0 364.533 3.480 20 0 FGADRP CC[NH+](CC)CC1CC[NH+]([C@H](C)C(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)CC1 ZINC000519224217 504169196 /nfs/dbraw/zinc/16/91/96/504169196.db2.gz WJQMRQPYPKYLSU-SOAMZJECSA-N 2 0 351.579 3.370 20 0 FGADRP CC[NH+](CC)CCOCC[NH2+][C@@H]1CCc2c1cccc2Br ZINC000544571855 504178194 /nfs/dbraw/zinc/17/81/94/504178194.db2.gz BTNPLBDXZDLDKU-QGZVFWFLSA-N 2 0 355.320 3.384 20 0 FGADRP CC[NH+](CC)CCOCC[NH2+][C@H]1CCc2c1cccc2Br ZINC000544571854 504178364 /nfs/dbraw/zinc/17/83/64/504178364.db2.gz BTNPLBDXZDLDKU-KRWDZBQOSA-N 2 0 355.320 3.384 20 0 FGADRP Cc1ccccc1CN(C)C(=O)[C@@H](C)[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000531107704 504191588 /nfs/dbraw/zinc/19/15/88/504191588.db2.gz IJISMRQRBWXEIG-LJQANCHMSA-N 2 0 359.558 3.394 20 0 FGADRP Cc1ccc([C@@H](CNC(=O)N2CCC([NH+]3CCCCC3)CC2)[NH+](C)C)cc1 ZINC000519344136 504197892 /nfs/dbraw/zinc/19/78/92/504197892.db2.gz SBRVQADIVHFAQF-OAQYLSRUSA-N 2 0 372.557 3.258 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N[C@H](C)C[C@H](C)[NH3+])c1ccccc1Cl ZINC000519396129 504211180 /nfs/dbraw/zinc/21/11/80/504211180.db2.gz ZNAPSWZWYYENDH-JJRVBVJISA-N 2 0 354.926 3.148 20 0 FGADRP Cc1ccc(C[N@@H+]2CCCN(C(=O)C[NH+](CC3CC3)CC3CC3)CC2)cc1 ZINC000538349864 504217526 /nfs/dbraw/zinc/21/75/26/504217526.db2.gz QNBCEYGPVZHDAC-UHFFFAOYSA-N 2 0 369.553 3.151 20 0 FGADRP CC(C)C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N1CCC([NH+](C)C)CC1 ZINC000528486538 504244300 /nfs/dbraw/zinc/24/43/00/504244300.db2.gz GEVCMYGBLDDTRC-IFMALSPDSA-N 2 0 371.569 3.333 20 0 FGADRP C[NH+](C)CCOc1ccc(CC[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)cc1 ZINC000534798939 504244922 /nfs/dbraw/zinc/24/49/22/504244922.db2.gz XKYIRLZBWDNZIR-NJYVYQBISA-N 2 0 358.526 3.107 20 0 FGADRP CC[C@@H](C(=O)NCC1([N@@H+]2CCOC(C)(C)C2)CCCCC1)[NH+](CC)CC ZINC000531293174 504254403 /nfs/dbraw/zinc/25/44/03/504254403.db2.gz AIKVTZIQRLSPHS-SFHVURJKSA-N 2 0 367.578 3.037 20 0 FGADRP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1 ZINC000541816479 504262837 /nfs/dbraw/zinc/26/28/37/504262837.db2.gz FQBVIOZYGHDKEZ-HKUYNNGSSA-N 2 0 352.567 3.013 20 0 FGADRP C[C@H]([NH2+]C[C@H]1COc2ccccc2O1)c1ccc(OCC[NH+](C)C)cc1 ZINC000538508304 504267460 /nfs/dbraw/zinc/26/74/60/504267460.db2.gz HLTVAYQPPSCDDQ-LPHOPBHVSA-N 2 0 356.466 3.118 20 0 FGADRP Cc1c2ccc3ccccc3c2oc1C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000531357567 504277791 /nfs/dbraw/zinc/27/77/91/504277791.db2.gz CREQONHNDSMJTR-UHFFFAOYSA-N 2 0 367.493 3.460 20 0 FGADRP CC[C@H]([NH2+][C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C)c1ccc(C)cc1 ZINC000538588018 504294543 /nfs/dbraw/zinc/29/45/43/504294543.db2.gz LCAMOEFJYNVUIG-VXKWHMMOSA-N 2 0 367.537 3.325 20 0 FGADRP CN(C(=O)CC[NH+](C)C1CCCCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000548061173 504314958 /nfs/dbraw/zinc/31/49/58/504314958.db2.gz NEXSNZKPZDDJJU-OAQYLSRUSA-N 2 0 357.542 3.374 20 0 FGADRP CC(C)[N@@H+]1CC[C@H](CNC(=O)N2CCC[NH+](Cc3ccccc3)C[C@H]2C)C1 ZINC000531485310 504325038 /nfs/dbraw/zinc/32/50/38/504325038.db2.gz TYWIWWYJAQUWGL-TZIWHRDSSA-N 2 0 372.557 3.023 20 0 FGADRP COc1cccc(C[NH+]2CCC(OCC[NH+](C)C)CC2)c1OC(C)C ZINC000538732042 504348856 /nfs/dbraw/zinc/34/88/56/504348856.db2.gz IBWSUANXYONLTE-UHFFFAOYSA-N 2 0 350.503 3.025 20 0 FGADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CCC[C@]3(CCc4ccccc4O3)C2)CC1 ZINC000528728064 504351893 /nfs/dbraw/zinc/35/18/93/504351893.db2.gz IJQQXENYHABMEY-QHCPKHFHSA-N 2 0 371.569 3.262 20 0 FGADRP CC[NH+]1CCN(CCC[NH2+][C@@H](C)c2sccc2Br)CC1 ZINC000531686511 504392242 /nfs/dbraw/zinc/39/22/42/504392242.db2.gz MTPHYKDLPMAQGX-ZDUSSCGKSA-N 2 0 360.365 3.189 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H](CO)Cc1ccc(F)cc1 ZINC000531696883 504395734 /nfs/dbraw/zinc/39/57/34/504395734.db2.gz AAMMSBHBZVAJJB-RZFNWQHOSA-N 2 0 370.512 3.477 20 0 FGADRP C[C@H]1C[C@@H](N(C)C(=O)[C@@]23CCC[C@@H]2C[NH+](Cc2ccccc2)C3)CC[N@@H+]1C ZINC000542185191 504396933 /nfs/dbraw/zinc/39/69/33/504396933.db2.gz IQFXQFVTRBOXCU-DEXHYYOUSA-N 2 0 369.553 3.230 20 0 FGADRP CC[NH+](CC)C[C@H](C)NC(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000520004484 504397575 /nfs/dbraw/zinc/39/75/75/504397575.db2.gz LWNPTRPGOSRTKL-IBGZPJMESA-N 2 0 374.573 3.448 20 0 FGADRP C[C@H](CNC(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1)C[NH+]1CCCC1 ZINC000520069022 504406578 /nfs/dbraw/zinc/40/65/78/504406578.db2.gz ZSOCVOAZBFXRFY-TZIWHRDSSA-N 2 0 372.557 3.072 20 0 FGADRP CC[N@H+](C)Cc1cccc(CNC(=O)[C@@H]2CCC[NH+]2Cc2ccccc2)c1 ZINC000520146790 504419397 /nfs/dbraw/zinc/41/93/97/504419397.db2.gz GHCLKNAIIMFKDT-QFIPXVFZSA-N 2 0 365.521 3.419 20 0 FGADRP C[C@H]1C[NH+](CC2CC[NH+](CCc3cccc(F)c3F)CC2)C[C@H](C)O1 ZINC000542276927 504434808 /nfs/dbraw/zinc/43/48/08/504434808.db2.gz DJOWTTPOAPDNMZ-HOTGVXAUSA-N 2 0 352.469 3.329 20 0 FGADRP COc1ccc([C@H](C)[NH2+]C2CC[NH+]([C@H]3CCC[C@H]3O)CC2)cc1Cl ZINC000539058554 504460898 /nfs/dbraw/zinc/46/08/98/504460898.db2.gz KXQVIOFHIJMQIU-DOPJRALCSA-N 2 0 352.906 3.377 20 0 FGADRP CC(C)[N@@H+]1CC[C@@H](CNC(=O)[C@@H](C)[NH+]2CCC(Cc3ccccc3)CC2)C1 ZINC000520339356 504471042 /nfs/dbraw/zinc/47/10/42/504471042.db2.gz QSUNDWAWWBQFAE-KNQAVFIVSA-N 2 0 371.569 3.176 20 0 FGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(Cn3ccnc3)cc2)[C@H](C)C1 ZINC000531937452 504480100 /nfs/dbraw/zinc/48/01/00/504480100.db2.gz ASLGLAXJORVKID-DENIHFKCSA-N 2 0 370.541 3.158 20 0 FGADRP C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+][C@@H](C)Cn1ccnc1 ZINC000531937866 504480831 /nfs/dbraw/zinc/48/08/31/504480831.db2.gz XJZVAXZAKJUTHX-STQMWFEESA-N 2 0 354.376 3.297 20 0 FGADRP c1nc2cc(C[NH2+]CCc3ccc(OCC[NH+]4CCCC4)cc3)ccc2[nH]1 ZINC000539226231 504503149 /nfs/dbraw/zinc/50/31/49/504503149.db2.gz LXCFUDVUKOUJIX-UHFFFAOYSA-N 2 0 364.493 3.370 20 0 FGADRP CSc1ccc(C[NH2+]Cc2cccc(C(=O)NCC[NH+](C)C)c2)s1 ZINC000520463186 504505799 /nfs/dbraw/zinc/50/57/99/504505799.db2.gz VPICPXMCBKOBCK-UHFFFAOYSA-N 2 0 363.552 3.051 20 0 FGADRP CCOC(=O)C1(C[NH2+]Cc2ccccc2N(C)C2CC[NH+](C)CC2)CCC1 ZINC000542481904 504507717 /nfs/dbraw/zinc/50/77/17/504507717.db2.gz AALAEYOVXABOLT-UHFFFAOYSA-N 2 0 373.541 3.040 20 0 FGADRP CC(C)[C@H](C[NH2+][C@H]1CCCOc2cc(Cl)ccc21)N1CC[NH+](C)CC1 ZINC000539307879 504525300 /nfs/dbraw/zinc/52/53/00/504525300.db2.gz DIHJNNQTNBIANW-OALUTQOASA-N 2 0 365.949 3.415 20 0 FGADRP C[NH+](C)C1CCC([NH2+]C[C@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000520568610 504530879 /nfs/dbraw/zinc/53/08/79/504530879.db2.gz AEVCHVAHNKEWAH-NRXISQOPSA-N 2 0 361.313 3.196 20 0 FGADRP COc1cc(C)ccc1[C@@H](C)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000532197152 504569822 /nfs/dbraw/zinc/56/98/22/504569822.db2.gz LFKBVJSRGOFDPV-QGZVFWFLSA-N 2 0 354.498 3.001 20 0 FGADRP C[C@H]([NH2+][C@H](CN1CC[NH+](C)CC1)c1ccccc1)c1ccc2c(c1)OCO2 ZINC000532220769 504577667 /nfs/dbraw/zinc/57/76/67/504577667.db2.gz XDBVOLWNNAANCB-FXAWDEMLSA-N 2 0 367.493 3.055 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)NCCC[N@@H+]1CCCC[C@@H]1C)c1ccco1 ZINC000520892816 504604796 /nfs/dbraw/zinc/60/47/96/504604796.db2.gz OIDVQGCRFAFZQG-ZWKOTPCHSA-N 2 0 364.534 3.226 20 0 FGADRP CC[NH+](CC)Cc1ccccc1C[NH2+][C@H]1CCN(c2ccccc2)C1=O ZINC000521011564 504629295 /nfs/dbraw/zinc/62/92/95/504629295.db2.gz PETCLPLHJUDHQF-NRFANRHFSA-N 2 0 351.494 3.424 20 0 FGADRP C[NH+](C)CCCOc1ccc(C[NH2+]C2CCC(O)(C(F)(F)F)CC2)cc1 ZINC000532485807 504666275 /nfs/dbraw/zinc/66/62/75/504666275.db2.gz RPFNUPOTBGEXDR-UHFFFAOYSA-N 2 0 374.447 3.343 20 0 FGADRP O=C([C@@H]1CCC[N@@H+]1Cc1ccccc1)N1CCC([NH+]2CCCCC2)CC1 ZINC000521181968 504671608 /nfs/dbraw/zinc/67/16/08/504671608.db2.gz LQJJPVKIGBPWGP-NRFANRHFSA-N 2 0 355.526 3.128 20 0 FGADRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]CCNc1ncc(C(F)(F)F)cc1Cl ZINC000532521764 504681101 /nfs/dbraw/zinc/68/11/01/504681101.db2.gz MMHWKWGIEKEXSS-GXFFZTMASA-N 2 0 350.816 3.096 20 0 FGADRP CC(C)c1[nH+]c(CN2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)c2ccccn21 ZINC000565081930 504789266 /nfs/dbraw/zinc/78/92/66/504789266.db2.gz WOOGBOBHBDAVRS-NSISKUIASA-N 2 0 356.514 3.141 20 0 FGADRP Brc1cccc2c1C[C@@H]([NH2+]CCCC[NH+]1CCOCC1)CC2 ZINC000559242823 504806858 /nfs/dbraw/zinc/80/68/58/504806858.db2.gz DBBOMBNOSCDNTC-INIZCTEOSA-N 2 0 367.331 3.008 20 0 FGADRP Cc1ccc(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)c(-c2cnn(C)c2)c1 ZINC000549404597 504811644 /nfs/dbraw/zinc/81/16/44/504811644.db2.gz SHYLCWUJSWEVTE-BAGYTPMASA-N 2 0 368.525 3.079 20 0 FGADRP CC[N@H+](CCNC(=O)NC[C@H]1CCCC[NH+](Cc2ccccc2)C1)C1CC1 ZINC000565274302 504839575 /nfs/dbraw/zinc/83/95/75/504839575.db2.gz AKHZZRHITHUXKW-HXUWFJFHSA-N 2 0 372.557 3.072 20 0 FGADRP CC(C)[N@@H+]1CC[C@H](CNCc2cn(-c3cccc(Cl)c3Cl)nn2)C1 ZINC000549543780 504846235 /nfs/dbraw/zinc/84/62/35/504846235.db2.gz YFTFKHKKLFLXKG-CYBMUJFWSA-N 2 0 368.312 3.394 20 0 FGADRP C[NH+](C)[C@H](CNC(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1)c1cccc(F)c1 ZINC000553177554 504846340 /nfs/dbraw/zinc/84/63/40/504846340.db2.gz HARPZSBQVMBYIY-PZJWPPBQSA-N 2 0 369.484 3.067 20 0 FGADRP [NH3+]C1(CNC(=O)NCc2ccccc2C[NH+]2CCCC2)CCCCCC1 ZINC000565352712 504863522 /nfs/dbraw/zinc/86/35/22/504863522.db2.gz RFYNCTAYMZUOFG-UHFFFAOYSA-N 2 0 358.530 3.133 20 0 FGADRP CC(C)[C@H]([NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1)c1ccccc1Cl ZINC000553338602 504888038 /nfs/dbraw/zinc/88/80/38/504888038.db2.gz GTPMKYBEIKSTGP-FQEVSTJZSA-N 2 0 363.933 3.370 20 0 FGADRP CC[NH+]1CCC(CC[NH2+]Cc2c(Cl)cccc2N2CCOCC2)CC1 ZINC000549761231 504890732 /nfs/dbraw/zinc/89/07/32/504890732.db2.gz ZHIALQNOBZLOFN-UHFFFAOYSA-N 2 0 365.949 3.388 20 0 FGADRP CC[C@@H]([NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(C(=O)OC)cc1 ZINC000559742866 504921408 /nfs/dbraw/zinc/92/14/08/504921408.db2.gz GUAYBSZGBSJCPM-FUHIMQAGSA-N 2 0 362.514 3.403 20 0 FGADRP Cc1nc2cc(NC(=O)CC[N@@H+]3CCCC[C@H]3C)ccc2n1[C@@H](C)CO ZINC000556686527 504940013 /nfs/dbraw/zinc/94/00/13/504940013.db2.gz AWXNOHRNMOAFCC-CABCVRRESA-N 2 0 358.486 3.101 20 0 FGADRP C[C@@H]1CN(C(=O)[C@H]2CCC[NH+](Cc3ccccc3)C2)CC[N@@H+](C2CCC2)C1 ZINC000553525479 504940673 /nfs/dbraw/zinc/94/06/73/504940673.db2.gz BGTOQGNRGHJXFN-FPOVZHCZSA-N 2 0 369.553 3.231 20 0 FGADRP CCO[C@@H]1C[C@H]([NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3C)CC2)[C@H]1n1cccn1 ZINC000559924577 504952169 /nfs/dbraw/zinc/95/21/69/504952169.db2.gz MDSXZKULHXSXPR-RSRIQPTJSA-N 2 0 360.546 3.234 20 0 FGADRP CCC[N@H+](C)[C@@H](CNC(=O)NC1CC[NH+](C)CC1)c1ccc(Cl)cc1 ZINC000553599860 504958757 /nfs/dbraw/zinc/95/87/57/504958757.db2.gz LQTULTYPUXZCJA-SFHVURJKSA-N 2 0 366.937 3.116 20 0 FGADRP CC[NH+]1CCN(Cc2ccc(C[NH2+]Cc3cc(OC)ccc3F)cc2)CC1 ZINC000550099744 504966351 /nfs/dbraw/zinc/96/63/51/504966351.db2.gz KQGBPADMDOGGEP-UHFFFAOYSA-N 2 0 371.500 3.262 20 0 FGADRP Cc1ccccc1C[NH+]1CCC(NC(=O)CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000550138770 504975325 /nfs/dbraw/zinc/97/53/25/504975325.db2.gz DWPNCWXFXDESHX-IBGZPJMESA-N 2 0 357.542 3.340 20 0 FGADRP Cc1cc(C)n(-c2ccc(CC[NH2+][C@@H]3CC[N@@H+](C)[C@H]4CCC[C@@H]43)cc2)n1 ZINC000556858617 504998013 /nfs/dbraw/zinc/99/80/13/504998013.db2.gz NVNFLMGDZKTQHL-VSKRKVRLSA-N 2 0 352.526 3.494 20 0 FGADRP COc1ccc(C[NH+]2CCC(C[NH2+][C@@H]3CC[N@H+](C)[C@H]4CCC[C@@H]43)CC2)cc1 ZINC000556870583 505001040 /nfs/dbraw/zinc/00/10/40/505001040.db2.gz GRHGWPKYRNRHIM-ZLNRFVROSA-N 2 0 371.569 3.370 20 0 FGADRP C[N@@H+]1CC[C@H]([NH2+]CCc2nc(-c3cccc(Cl)c3)no2)[C@@H]2CCC[C@@H]21 ZINC000556885982 505006586 /nfs/dbraw/zinc/00/65/86/505006586.db2.gz ROEHMXZOUOCSRN-ULQDDVLXSA-N 2 0 360.889 3.395 20 0 FGADRP CCC[NH+]1CCC(C[NH2+]C[C@@H](O)CO[C@H](C)c2ccc(Cl)cc2)CC1 ZINC000565887534 505017775 /nfs/dbraw/zinc/01/77/75/505017775.db2.gz UPXRHGUUTMYYEZ-OXQOHEQNSA-N 2 0 368.949 3.490 20 0 FGADRP CCc1cccc(OC[C@@H](O)C[NH2+]Cc2cccc(Cn3ccnc3)c2)c1 ZINC000565887367 505018140 /nfs/dbraw/zinc/01/81/40/505018140.db2.gz MQHVWGKIVRAIMK-NRFANRHFSA-N 2 0 365.477 3.023 20 0 FGADRP CC[N@@H+]1CCCC[C@H]1C(=O)NCc1ccccc1C[NH+]1CCC(C)CC1 ZINC000556936343 505023844 /nfs/dbraw/zinc/02/38/44/505023844.db2.gz MXLUOAKSXIILRW-NRFANRHFSA-N 2 0 357.542 3.409 20 0 FGADRP CN(c1ccccc1)c1ccc(C[NH+]2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)cn1 ZINC000563136373 505058408 /nfs/dbraw/zinc/05/84/08/505058408.db2.gz ZXBIGYZMRAAJOB-IRLDBZIGSA-N 2 0 366.509 3.178 20 0 FGADRP COc1ccc(C[N@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)[C@@H](C)C2CC2)cc1 ZINC000563154674 505061641 /nfs/dbraw/zinc/06/16/41/505061641.db2.gz TVMZBPMHQJMNTA-RTFZILSDSA-N 2 0 368.521 3.227 20 0 FGADRP CC[NH+](CC)Cc1ccccc1CNC(=O)NC[C@H](C(C)C)[NH+]1CCCC1 ZINC000557102095 505065508 /nfs/dbraw/zinc/06/55/08/505065508.db2.gz XQZXBCLVFSRAKR-OAQYLSRUSA-N 2 0 374.573 3.448 20 0 FGADRP C[C@@H]1C[NH+](Cc2ccc(C[NH2+][C@@H]3COc4ccccc4C3)cc2)C[C@@H](C)O1 ZINC000550607118 505072438 /nfs/dbraw/zinc/07/24/38/505072438.db2.gz NTFYAQINOUZFRY-HMFYCAOWSA-N 2 0 366.505 3.389 20 0 FGADRP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000557140715 505076465 /nfs/dbraw/zinc/07/64/65/505076465.db2.gz PPXBTQFGXMLNGS-GHTZIAJQSA-N 2 0 372.557 3.474 20 0 FGADRP C[C@@H]1CC[C@H]([NH2+]Cc2ccc(OCCC[NH+](C)C)cc2)[C@H](n2cncn2)C1 ZINC000550646189 505078851 /nfs/dbraw/zinc/07/88/51/505078851.db2.gz ZWZRVSUQMDRBNJ-JRGCBEDISA-N 2 0 371.529 3.128 20 0 FGADRP CC(C)[N@@H+]1CCCC[C@@H]1CN1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000550681830 505084801 /nfs/dbraw/zinc/08/48/01/505084801.db2.gz ULMGPVVLEFYAKD-KCZVDYSFSA-N 2 0 365.606 3.461 20 0 FGADRP Cc1cccc(OC[C@@H](O)C[NH2+]C2CCC([NH+]3CCC(C)CC3)CC2)c1 ZINC000566116356 505086452 /nfs/dbraw/zinc/08/64/52/505086452.db2.gz OXOTXXNFDXCXET-CBNMVNINSA-N 2 0 360.542 3.367 20 0 FGADRP CC[NH+](CC)CCOCC[NH2+][C@H]1CCc2sc(Br)cc21 ZINC000550789633 505101064 /nfs/dbraw/zinc/10/10/64/505101064.db2.gz RFFPHCRVERUSQS-ZDUSSCGKSA-N 2 0 361.349 3.446 20 0 FGADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+]C[C@H](CO)Cc2ccco2)CC1 ZINC000560514928 505110594 /nfs/dbraw/zinc/11/05/94/505110594.db2.gz KFGPILPDKAWZOU-QNGMFEMESA-N 2 0 356.510 3.463 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2ccccc2-n2ccnn2)[C@H](C)C1 ZINC000560524569 505114447 /nfs/dbraw/zinc/11/44/47/505114447.db2.gz GKBMMFPHZUOJRU-GGPKGHCWSA-N 2 0 371.529 3.055 20 0 FGADRP COC(=O)c1csc([C@H](C)[NH2+]CCCC[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC000560528121 505115801 /nfs/dbraw/zinc/11/58/01/505115801.db2.gz NRZBCZVGVPLNMT-KFWWJZLASA-N 2 0 354.516 3.075 20 0 FGADRP C[C@@H](C(=O)Nc1cccc2ccccc21)[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000566242737 505121245 /nfs/dbraw/zinc/12/12/45/505121245.db2.gz XQMWSCFVDSOYTI-QFBILLFUSA-N 2 0 351.494 3.488 20 0 FGADRP Cc1ccccc1[C@@H]([C@@H](C)NC(=O)NCC1([NH+](C)C)CCCC1)[NH+](C)C ZINC000554255260 505126472 /nfs/dbraw/zinc/12/64/72/505126472.db2.gz RBDXTFXTVIMHHL-IEBWSBKVSA-N 2 0 360.546 3.160 20 0 FGADRP C[C@@H](CN1CCCCC1)[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000563439230 505141441 /nfs/dbraw/zinc/14/14/41/505141441.db2.gz FZGIONKCIXALAK-IBGZPJMESA-N 2 0 358.574 3.181 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccco1 ZINC000557577164 505173082 /nfs/dbraw/zinc/17/30/82/505173082.db2.gz RWJIDSAPMPUKGL-VQTJNVASSA-N 2 0 369.509 3.301 20 0 FGADRP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)C1 ZINC000566481308 505187273 /nfs/dbraw/zinc/18/72/73/505187273.db2.gz GYGVOVZRJBKFBR-BRWVUGGUSA-N 2 0 369.431 3.056 20 0 FGADRP O=C(Nc1ccccc1)N1CC[C@H]([NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)C1 ZINC000563804541 505244052 /nfs/dbraw/zinc/24/40/52/505244052.db2.gz YSNBVKZYIRVQGK-LWYYNNOASA-N 2 0 356.514 3.193 20 0 FGADRP C[C@@H]1C[C@H]1[N@@H+]1CCN(C(=O)c2ccc(Nc3cc[nH+]cc3)cc2)C[C@@H](C)C1 ZINC000558021111 505287704 /nfs/dbraw/zinc/28/77/04/505287704.db2.gz CZZWEMWNVARLGG-CSODHUTKSA-N 2 0 364.493 3.049 20 0 FGADRP C[C@H]1C[C@@H]([N@H+](C)Cc2cccc(I)c2)CCN1C ZINC000551803022 505312363 /nfs/dbraw/zinc/31/23/63/505312363.db2.gz DEPXWZGIGYNDAC-WFASDCNBSA-N 2 0 358.267 3.206 20 0 FGADRP CC[C@H](C)[NH2+][C@@H](CNC(=O)NC[C@H](c1ccccc1)[NH+](C)C)c1ccco1 ZINC000558345378 505364819 /nfs/dbraw/zinc/36/48/19/505364819.db2.gz OANUCKJSDZQMJB-YTQUADARSA-N 2 0 372.513 3.311 20 0 FGADRP Cc1ccccc1[C@@H]([C@H](C)NC(=O)NC1CC[NH+](C(C)C)CC1)[NH+](C)C ZINC000558380521 505371708 /nfs/dbraw/zinc/37/17/08/505371708.db2.gz JMOGXEIMGMYWBB-FXAWDEMLSA-N 2 0 360.546 3.158 20 0 FGADRP Cc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)c(OC[C@@H]2CCOC2)c1 ZINC000552046301 505381197 /nfs/dbraw/zinc/38/11/97/505381197.db2.gz CNHQZIWMXPLLQJ-GFOJFJKKSA-N 2 0 358.526 3.373 20 0 FGADRP Cc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)c(OC[C@H]2CCOC2)c1 ZINC000552046303 505381459 /nfs/dbraw/zinc/38/14/59/505381459.db2.gz CNHQZIWMXPLLQJ-OYNPSCLESA-N 2 0 358.526 3.373 20 0 FGADRP C[N@@H+]1CC[C@H](NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)[C@@H]2CCC[C@H]21 ZINC000552063729 505387219 /nfs/dbraw/zinc/38/72/19/505387219.db2.gz KMYHRXXUTPZXLN-NUUXYWTLSA-N 2 0 359.480 3.254 20 0 FGADRP C[NH+]1CCN(c2cc[nH+]cc2N[C@@H]2CCC[C@H](c3cccnc3)C2)CC1 ZINC000558620858 505442516 /nfs/dbraw/zinc/44/25/16/505442516.db2.gz QYDUMZGYKGVYFG-PKOBYXMFSA-N 2 0 351.498 3.367 20 0 FGADRP Cc1ccc([C@H](CNC(=O)N2CCCC[C@@H]2[C@@H](C)[NH3+])[NH+]2CCCC2)cc1 ZINC000564548994 505449586 /nfs/dbraw/zinc/44/95/86/505449586.db2.gz LZBQGTDFXMTWAA-RLLQIKCJSA-N 2 0 358.530 3.043 20 0 FGADRP C[C@@H]1C[C@@H](NC(=O)CC[N@H+]2CCCC[C@H]2C)CC[NH+]1Cc1ccccc1 ZINC000555539556 505451376 /nfs/dbraw/zinc/45/13/76/505451376.db2.gz MAAJJHSRJORTFA-SBHAEUEKSA-N 2 0 357.542 3.420 20 0 FGADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@@H]1CCc2cnn(C(C)C)c2C1 ZINC000567440043 505462987 /nfs/dbraw/zinc/46/29/87/505462987.db2.gz WNSCAIZHKPOHBQ-GOSISDBHSA-N 2 0 350.470 3.000 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)[C@]2(c3ccccc3)CC[NH2+]C2)C1 ZINC000567584929 505506111 /nfs/dbraw/zinc/50/61/11/505506111.db2.gz GERIIBXGBJUOIF-TXTKFYIRSA-N 2 0 369.553 3.031 20 0 FGADRP Cc1cc2ncn(C[C@@H](O)C[NH2+]C3CC[NH+](C4CCCC4)CC3)c2cc1C ZINC000552570361 505515618 /nfs/dbraw/zinc/51/56/18/505515618.db2.gz CAWRZJZKZYFFTP-FQEVSTJZSA-N 2 0 370.541 3.011 20 0 FGADRP C[NH+](C)C[C@H](NC(=O)NCC1([NH+](C)C)CCCC1)c1ccc(Cl)cc1 ZINC000558883379 505519849 /nfs/dbraw/zinc/51/98/49/505519849.db2.gz LZUXKRAVAVWDKY-KRWDZBQOSA-N 2 0 366.937 3.116 20 0 FGADRP CC(C)(C(=O)NCCC[N@@H+]1CCc2ccccc2C1)[C@H]([NH3+])c1ccccc1 ZINC000564794865 505521673 /nfs/dbraw/zinc/52/16/73/505521673.db2.gz BACAWLZDVVSPMA-OAQYLSRUSA-N 2 0 365.521 3.277 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)[C@@H]2C[NH2+]Cc3ccccc32)CC1 ZINC000564802290 505524709 /nfs/dbraw/zinc/52/47/09/505524709.db2.gz ZJMVWSORWAMVKH-XMSQKQJNSA-N 2 0 369.553 3.377 20 0 FGADRP C[C@H](NC(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)cc1)C(C)(C)C[NH+](C)C ZINC000558908678 505527244 /nfs/dbraw/zinc/52/72/44/505527244.db2.gz TWEUNVAHAJHGKO-WMLDXEAASA-N 2 0 368.953 3.218 20 0 FGADRP C[N@@H+]1CCC[C@@H](CC[NH2+]CCS(=O)(=O)c2ccc(C(C)(C)C)cc2)C1 ZINC000567693553 505538592 /nfs/dbraw/zinc/53/85/92/505538592.db2.gz WONVHDXRPYOBGN-KRWDZBQOSA-N 2 0 366.571 3.079 20 0 FGADRP CC[C@H]1[NH2+]CC[C@H]1C(=O)NCCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000564922854 505558613 /nfs/dbraw/zinc/55/86/13/505558613.db2.gz HGUABISORPOYBM-FGZHOGPDSA-N 2 0 371.569 3.226 20 0 FGADRP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](Cc2ccc(Sc3ccccc3)cc2)C1 ZINC000564969109 505564459 /nfs/dbraw/zinc/56/44/59/505564459.db2.gz RAUGPNPAQGRCCF-SFHVURJKSA-N 2 0 369.534 3.125 20 0 FGADRP CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000567890726 505570277 /nfs/dbraw/zinc/57/02/77/505570277.db2.gz AUVDIRHZMFEHKG-ZQIUZPCESA-N 2 0 370.324 3.011 20 0 FGADRP COc1ccc(C[NH2+]Cc2c(Cl)cccc2N2CC[NH+](C)CC2)cc1 ZINC000608070177 506406427 /nfs/dbraw/zinc/40/64/27/506406427.db2.gz ALTHJXNWDDQEAL-UHFFFAOYSA-N 2 0 359.901 3.390 20 0 FGADRP CC[NH+](CC)Cc1ccc(CNC(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)cc1 ZINC000612207631 506483293 /nfs/dbraw/zinc/48/32/93/506483293.db2.gz MBAPCMFOFJRNPL-OAQYLSRUSA-N 2 0 372.557 3.298 20 0 FGADRP C[C@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000582965066 506513132 /nfs/dbraw/zinc/51/31/32/506513132.db2.gz ZEFLWJKETKDWMR-LZJOCLMNSA-N 2 0 365.477 3.490 20 0 FGADRP CC[C@H](C)[NH2+][C@H](CNC(=O)[C@@H]1CCc2nc(C(C)C)[nH]c2C1)c1ccco1 ZINC000582984269 506523422 /nfs/dbraw/zinc/52/34/22/506523422.db2.gz IRNREMTVGJQWAQ-HDMKZQKVSA-N 2 0 372.513 3.477 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)N2CCC(C[NH3+])CC2)C1 ZINC000583133105 506608916 /nfs/dbraw/zinc/60/89/16/506608916.db2.gz UJXURSMGLUWTPB-HDICACEKSA-N 2 0 372.557 3.045 20 0 FGADRP COC(=O)c1ccc(C[NH2+]CC2CCN(c3cc[nH+]cc3)CC2)cc1F ZINC000597075080 506759678 /nfs/dbraw/zinc/75/96/78/506759678.db2.gz UINIFBMBXVLOKT-UHFFFAOYSA-N 2 0 357.429 3.014 20 0 FGADRP CC(C)C[C@H](CNC(=O)N[C@H]1CC12CC[NH2+]CC2)[NH2+][C@@H](C)c1ccccc1 ZINC000612977729 506848418 /nfs/dbraw/zinc/84/84/18/506848418.db2.gz PNISTXKERRESBC-SXLOBPIMSA-N 2 0 372.557 3.193 20 0 FGADRP C[NH+](C)CCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)CC[NH2+]C1CC1 ZINC000583641428 506891709 /nfs/dbraw/zinc/89/17/09/506891709.db2.gz PMUDEWVAIKHXQK-UHFFFAOYSA-N 2 0 372.340 3.416 20 0 FGADRP CC(C)[NH+]1CCN([C@H]2CC[N@H+](Cc3cc4cc(Cl)cnc4o3)C2)CC1 ZINC000590640497 506893478 /nfs/dbraw/zinc/89/34/78/506893478.db2.gz IQVLNSVPIHYFIK-KRWDZBQOSA-N 2 0 362.905 3.082 20 0 FGADRP Cc1ccc([C@@H](CNC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)[NH+](C)C)cc1 ZINC000604784715 506942577 /nfs/dbraw/zinc/94/25/77/506942577.db2.gz NIHMEIQHJWQCPZ-RTBURBONSA-N 2 0 362.562 3.263 20 0 FGADRP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)NCC2([NH+](C)C)CCCC2)CC1 ZINC000604806520 506950789 /nfs/dbraw/zinc/95/07/89/506950789.db2.gz QXKPUWLIWIWXKT-GOSISDBHSA-N 2 0 372.557 3.386 20 0 FGADRP CC(C)[C@H](CNCc1ccc(OCC[NH+](C)C)cc1)[NH+]1CCC(C)CC1 ZINC000613260324 506998321 /nfs/dbraw/zinc/99/83/21/506998321.db2.gz PVKLZAJIERPUOW-QFIPXVFZSA-N 2 0 361.574 3.473 20 0 FGADRP CC(C)(C[NH2+]C[C@H](O)COc1cccc(C(F)(F)F)c1)C[NH+]1CCCC1 ZINC000583867514 507019648 /nfs/dbraw/zinc/01/96/48/507019648.db2.gz ONLMEUCPAIEWGP-INIZCTEOSA-N 2 0 374.447 3.157 20 0 FGADRP CCC[N@@H+](CC(=O)N1CCC[NH+](Cc2ccccc2C)CC1)CC1CC1 ZINC000613343011 507041933 /nfs/dbraw/zinc/04/19/33/507041933.db2.gz UHBDFDROOHQHIB-UHFFFAOYSA-N 2 0 357.542 3.151 20 0 FGADRP O[C@@H](C[NH2+]Cc1ccccc1C[NH+]1CCCCC1)COCc1ccccc1 ZINC000583929369 507054093 /nfs/dbraw/zinc/05/40/93/507054093.db2.gz DYANQTZCSVNADZ-QHCPKHFHSA-N 2 0 368.521 3.340 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)NC[C@H]1CCCC[N@@H+]1CC)Cc1ccccc1 ZINC000600862682 507150408 /nfs/dbraw/zinc/15/04/08/507150408.db2.gz CGGWLDIKNBMYDS-RTWAWAEBSA-N 2 0 374.573 3.113 20 0 FGADRP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+]([C@H](C)c3ccc(OC(F)F)cc3)C2)CC1 ZINC000610250523 507162263 /nfs/dbraw/zinc/16/22/63/507162263.db2.gz ZDCIBPHLPZKNKN-SJLPKXTDSA-N 2 0 367.484 3.449 20 0 FGADRP CC[C@@H](C(=O)NC[C@H](c1cccc(OC)c1)[NH+]1CCCC1)[NH+](CC)CC ZINC000605423531 507187014 /nfs/dbraw/zinc/18/70/14/507187014.db2.gz OOMQPVWLTOSNPQ-VQTJNVASSA-N 2 0 361.530 3.069 20 0 FGADRP O=C(Nc1cccc2c1CC[NH2+]C2)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000584161085 507187519 /nfs/dbraw/zinc/18/75/19/507187519.db2.gz UZBWISOXEATHFK-IBGZPJMESA-N 2 0 364.493 3.118 20 0 FGADRP C[NH+]1CCN(C[C@@H]([NH2+]C2CCC(C(F)F)CC2)c2ccccc2)CC1 ZINC000584211056 507214492 /nfs/dbraw/zinc/21/44/92/507214492.db2.gz PROHNDDGUMFLEI-CTWPCTMYSA-N 2 0 351.485 3.389 20 0 FGADRP CC[NH+](CC)Cc1ccccc1CNC(=O)NCC[N@H+](C)C1CCCC1 ZINC000591405046 507238177 /nfs/dbraw/zinc/23/81/77/507238177.db2.gz DBPKMKCVBDFEIU-UHFFFAOYSA-N 2 0 360.546 3.202 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)NC[C@@H](C1CC1)[NH+](C)C ZINC000591438017 507248956 /nfs/dbraw/zinc/24/89/56/507248956.db2.gz PEEOOHSQGLYUNB-XLIONFOSSA-N 2 0 373.541 3.010 20 0 FGADRP C[C@@H]([NH2+][C@@H]1CC12CC[NH2+]CC2)c1ccccc1I ZINC000591579392 507301950 /nfs/dbraw/zinc/30/19/50/507301950.db2.gz XJRYJAXLFPVDRQ-BXUZGUMPSA-N 2 0 356.251 3.084 20 0 FGADRP C[NH+]1CCC(CCNC(=O)N2CC[N@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC000591595339 507305532 /nfs/dbraw/zinc/30/55/32/507305532.db2.gz AYJZDTGFQTXLAB-UHFFFAOYSA-N 2 0 372.557 3.024 20 0 FGADRP CC[NH+](CC)Cc1cccc(CNC(=O)N2CCC[C@H]([NH2+]C(C)C)C2)c1 ZINC000601241283 507309403 /nfs/dbraw/zinc/30/94/03/507309403.db2.gz GSGCQOSNUILKFR-FQEVSTJZSA-N 2 0 360.546 3.200 20 0 FGADRP CSC1(C[NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3C)CC2)CC[NH+](C)CC1 ZINC000584380632 507312316 /nfs/dbraw/zinc/31/23/16/507312316.db2.gz MELCBCFPJQHGKF-MJGOQNOKSA-N 3 0 353.620 3.447 20 0 FGADRP C[N@H+](CCNC(=O)NCCCCC[NH+]1CCCCC1)C1CCCCC1 ZINC000601296123 507327381 /nfs/dbraw/zinc/32/73/81/507327381.db2.gz DFPQCBKNVAAJFW-UHFFFAOYSA-N 2 0 352.567 3.206 20 0 FGADRP C[C@@H](CSCCF)[NH2+]CCCN1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000595007476 507351992 /nfs/dbraw/zinc/35/19/92/507351992.db2.gz OECPRKLYLZSMFM-PKOBYXMFSA-N 2 0 353.551 3.046 20 0 FGADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCc3ccc(I)cc32)C1 ZINC000595016809 507355225 /nfs/dbraw/zinc/35/52/25/507355225.db2.gz XNOAJELIAMWIKK-MLGOLLRUSA-N 2 0 370.278 3.210 20 0 FGADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@@H]2CCc3ccc(I)cc32)C1 ZINC000595044808 507366587 /nfs/dbraw/zinc/36/65/87/507366587.db2.gz FEGGURQRFGKGQX-DIOULYMOSA-N 2 0 370.278 3.208 20 0 FGADRP CC[C@H]([NH2+]CC1CC[NH+](C2CCOCC2)CC1)c1ccc(C(=O)OC)cc1 ZINC000595048743 507368836 /nfs/dbraw/zinc/36/88/36/507368836.db2.gz MFWOHDZYWVZNFM-NRFANRHFSA-N 2 0 374.525 3.405 20 0 FGADRP FC(F)(F)Oc1ccc(OCC[NH+]2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000610762507 507381164 /nfs/dbraw/zinc/38/11/64/507381164.db2.gz QWXGBNSRKARKBJ-UHFFFAOYSA-N 2 0 367.371 3.181 20 0 FGADRP [NH3+][C@@H]1C[C@@H]([NH2+][C@@H]2CCc3nnc(-c4ccc(F)cc4)n3C2)c2ccccc21 ZINC000584523946 507392613 /nfs/dbraw/zinc/39/26/13/507392613.db2.gz PGJPUVSTEVJYRF-ATZDWAIDSA-N 2 0 363.440 3.133 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+]C[C@@H]1CNc2ccnn2C1 ZINC000595145011 507408148 /nfs/dbraw/zinc/40/81/48/507408148.db2.gz YSASJRHVWNHLMF-QZTJIDSGSA-N 2 0 353.514 3.089 20 0 FGADRP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N(CC[NH+](C)C)CC2CCCCC2)C1 ZINC000606677200 507478028 /nfs/dbraw/zinc/47/80/28/507478028.db2.gz MWVWBJOKZYCYCT-FQEVSTJZSA-N 2 0 366.594 3.260 20 0 FGADRP COC(=O)c1ccc(Cl)c(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC000592433648 507656088 /nfs/dbraw/zinc/65/60/88/507656088.db2.gz MZGAJXBIWFOHDG-JKSUJKDBSA-N 2 0 350.890 3.338 20 0 FGADRP CC(C)[C@H](NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1ccccc1Cl ZINC000607245294 507669761 /nfs/dbraw/zinc/66/97/61/507669761.db2.gz IWRJXOMWPSVOAR-SFHVURJKSA-N 2 0 368.953 3.172 20 0 FGADRP Ic1ccc(C[N@H+](C2CC2)C2CC[NH2+]CC2)cc1 ZINC000592471383 507670120 /nfs/dbraw/zinc/67/01/20/507670120.db2.gz ZQHAKLHQCHZKBX-UHFFFAOYSA-N 2 0 356.251 3.008 20 0 FGADRP COC(=O)c1csc(-c2cccc(C[NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@H]4C3)c2)n1 ZINC000592470841 507670368 /nfs/dbraw/zinc/67/03/68/507670368.db2.gz MCAUUOFGGKKGEL-BRWVUGGUSA-N 2 0 371.506 3.074 20 0 FGADRP CC(C)[C@@H](CNC(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1)[NH+]1CCCCCC1 ZINC000592481407 507673829 /nfs/dbraw/zinc/67/38/29/507673829.db2.gz IOTUJZQKMSCGJM-UYAOXDASSA-N 2 0 364.578 3.203 20 0 FGADRP CCC(CC)[C@@H](CNC(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1)[NH+]1CCCC1 ZINC000592481439 507674607 /nfs/dbraw/zinc/67/46/07/507674607.db2.gz JQFRMGHZJMLXTM-UYAOXDASSA-N 2 0 364.578 3.203 20 0 FGADRP C[N@H+](C[C@H](O)COc1ccc(Cl)c(Cl)c1)C[C@H]1CCC[NH+](C)C1 ZINC000607391348 507719284 /nfs/dbraw/zinc/71/92/84/507719284.db2.gz ZTQZUNJRFXKRRP-KBPBESRZSA-N 2 0 361.313 3.007 20 0 FGADRP C[C@H]1CN(C(=O)[C@H](C[NH+]2CCCC2)c2ccccc2)CC[N@@H+](C2CCC2)C1 ZINC000615193021 507774270 /nfs/dbraw/zinc/77/42/70/507774270.db2.gz CYLQUAJFAWXLBU-DENIHFKCSA-N 2 0 369.553 3.199 20 0 FGADRP CCC[NH+]1CCC(C[NH2+][C@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2C)CC1 ZINC000779053957 724385078 /nfs/dbraw/zinc/38/50/78/724385078.db2.gz GGHYNIUSRYAGEZ-AEFFLSMTSA-N 2 0 353.551 3.344 20 0 FGADRP CC(C)[C@H]([NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1)C1(CO)CCC1 ZINC000644835253 568006516 /nfs/dbraw/zinc/00/65/16/568006516.db2.gz KZSROTNWLYIBAC-NRFANRHFSA-N 2 0 360.542 3.438 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)NC[C@H]2CCCC[NH2+]2)cc1 ZINC000669117847 568042751 /nfs/dbraw/zinc/04/27/51/568042751.db2.gz ULORBMAMQCJHLM-YLJYHZDGSA-N 2 0 358.530 3.002 20 0 FGADRP CCC1([NH+](C)C)CCN(C(=O)N[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)CC1 ZINC000637033775 568314196 /nfs/dbraw/zinc/31/41/96/568314196.db2.gz LYYWVVMTZRAWLX-MSOLQXFVSA-N 2 0 364.578 3.155 20 0 FGADRP CC1CC[NH+](CCCC[NH2+][C@H]2CCCc3cc(-c4nn[nH]n4)ccc32)CC1 ZINC000824954972 608501737 /nfs/dbraw/zinc/50/17/37/608501737.db2.gz NGPBZISMOMBUFI-FQEVSTJZSA-N 2 0 368.529 3.346 20 0 FGADRP C[C@@H]([NH2+][C@@H](C)c1ccc(-c2nn[nH]n2)c(F)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000824532599 609350554 /nfs/dbraw/zinc/35/05/54/609350554.db2.gz VQRPMYHSEBKWRO-SQWLQELKSA-N 2 0 372.492 3.309 20 0 FGADRP COCOc1ccc(OC)cc1C[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000093688627 700453369 /nfs/dbraw/zinc/45/33/69/700453369.db2.gz AQFRADZMXMIWNH-UHFFFAOYSA-N 2 0 350.503 3.232 20 0 FGADRP C[NH+](C)CCC1CC[NH+](C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000113500873 700572947 /nfs/dbraw/zinc/57/29/47/700572947.db2.gz JRKGHARSONHFNA-SFHVURJKSA-N 2 0 353.551 3.297 20 0 FGADRP C[C@H]([NH2+]C[C@H](c1ccccc1Cl)N1CCOCC1)C1CC[NH+](C)CC1 ZINC000122746147 700695229 /nfs/dbraw/zinc/69/52/29/700695229.db2.gz UDRUWYANKOHXCB-OXJNMPFZSA-N 2 0 365.949 3.033 20 0 FGADRP C[C@H](CSC(C)(C)C)[NH2+]Cc1cccc(OCCN2CCOCC2)c1 ZINC000155168500 705066292 /nfs/dbraw/zinc/06/62/92/705066292.db2.gz JVOHBDSCYFFXJL-QGZVFWFLSA-N 2 0 366.571 3.407 20 0 FGADRP CC[NH+](CC)Cc1cccc(CNC(=O)[C@@H]([NH3+])c2cccc(Cl)c2)c1 ZINC000164747192 705332297 /nfs/dbraw/zinc/33/22/97/705332297.db2.gz OBQZZFDODFORKD-IBGZPJMESA-N 2 0 359.901 3.498 20 0 FGADRP CCC[NH+]1CCC([NH2+]C2CCN(Cc3ccc(F)c(F)c3)CC2)CC1 ZINC000166150443 705342687 /nfs/dbraw/zinc/34/26/87/705342687.db2.gz VKPBTQVAHGCNRO-UHFFFAOYSA-N 2 0 351.485 3.393 20 0 FGADRP CC[N@@H+]1CC[C@H]([NH2+]CC2(C)CCN(C(=O)OC(C)(C)C)CC2)[C@@H](C)C1 ZINC000248488959 713651660 /nfs/dbraw/zinc/65/16/60/713651660.db2.gz MSBHZKVDFVSIBI-IRXDYDNUSA-N 2 0 353.551 3.344 20 0 FGADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CC[C@H](C(F)(F)F)C3(CCC3)C2)CC1 ZINC000374551202 713930479 /nfs/dbraw/zinc/93/04/79/713930479.db2.gz SEZZRCZWPKNBCV-KRWDZBQOSA-N 2 0 361.496 3.457 20 0 FGADRP C[NH+]1CCC(C)(C[NH2+][C@H]2CCCC[C@@H]2CNC(=O)OC(C)(C)C)CC1 ZINC000385447514 713983547 /nfs/dbraw/zinc/98/35/47/713983547.db2.gz WWRDSSUONAMRFU-SJORKVTESA-N 2 0 353.551 3.391 20 0 FGADRP CCOc1c(Br)cc(C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)cc1OC ZINC000414911276 714005519 /nfs/dbraw/zinc/00/55/19/714005519.db2.gz DSCGKMGZORCFFE-QWHCGFSZSA-N 2 0 357.292 3.216 20 0 FGADRP C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000414926574 714006028 /nfs/dbraw/zinc/00/60/28/714006028.db2.gz NNQLHWUAIQETRH-UXIGCNINSA-N 2 0 354.292 3.026 20 0 FGADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H]1CCSc2c(Cl)cccc21 ZINC000471598837 714081005 /nfs/dbraw/zinc/08/10/05/714081005.db2.gz MFWBHHINFJJUON-RHSMWYFYSA-N 2 0 353.963 3.493 20 0 FGADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H]1CCSc2c(Cl)cccc21 ZINC000471598838 714081183 /nfs/dbraw/zinc/08/11/83/714081183.db2.gz MFWBHHINFJJUON-WMLDXEAASA-N 2 0 353.963 3.493 20 0 FGADRP CC[NH+](CC)C[C@@H](C)NC(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000502580443 714112658 /nfs/dbraw/zinc/11/26/58/714112658.db2.gz HXGYYRKZELFBOJ-GOSISDBHSA-N 2 0 352.567 3.014 20 0 FGADRP C[C@@H](CC[NH+](C)C)NC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000523813212 714254016 /nfs/dbraw/zinc/25/40/16/714254016.db2.gz KYFZYHBVYBEUNQ-YJBOKZPZSA-N 2 0 366.937 3.116 20 0 FGADRP C[C@H](C(=O)Nc1ccc(C(F)(F)F)cc1)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000524355297 714280009 /nfs/dbraw/zinc/28/00/09/714280009.db2.gz ZHSIJGLGKRSUET-CYBMUJFWSA-N 2 0 357.420 3.306 20 0 FGADRP C[C@H]([NH2+][C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1)[C@@H]1CCC[NH2+]C1 ZINC000575372962 714457614 /nfs/dbraw/zinc/45/76/14/714457614.db2.gz MQKJVSBCLXZURR-YXJHDRRASA-N 2 0 355.448 3.257 20 0 FGADRP CC[NH+]1CCC(CC[NH2+]C[C@@H](O)COc2cc(C)ccc2Cl)CC1 ZINC000577722488 714468078 /nfs/dbraw/zinc/46/80/78/714468078.db2.gz SKYNCTIEBWYYBA-QGZVFWFLSA-N 2 0 354.922 3.100 20 0 FGADRP C[C@@H](Cc1ccc(F)cc1Cl)[NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000643346243 718025966 /nfs/dbraw/zinc/02/59/66/718025966.db2.gz UYGSVVAOSKSDGQ-YOEHRIQHSA-N 2 0 353.913 3.168 20 0 FGADRP C[N@@H+]1CC[C@H]([NH2+]C[C@@H](CO)Cc2ccccc2Br)CC1(C)C ZINC000623507283 715350571 /nfs/dbraw/zinc/35/05/71/715350571.db2.gz BNUBXQRXOWCFTP-HOCLYGCPSA-N 2 0 369.347 3.063 20 0 FGADRP O[C@H]1CC[N@H+](Cc2ccc(CNCc3c(F)ccc(F)c3Cl)cc2)C1 ZINC000623563518 715362246 /nfs/dbraw/zinc/36/22/46/715362246.db2.gz APBCXMNUJAXQQB-HNNXBMFYSA-N 2 0 366.839 3.475 20 0 FGADRP C[C@H](C[NH2+][C@H]1CCCC[C@H]1Sc1ccc(F)cc1)N1CC[NH+](C)CC1 ZINC000623888582 715424909 /nfs/dbraw/zinc/42/49/09/715424909.db2.gz MAIIPTGWRSIZKU-LSTHTHJFSA-N 2 0 365.562 3.455 20 0 FGADRP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)CCOC3CCOCC3)C2)s1 ZINC000625402105 715723179 /nfs/dbraw/zinc/72/31/79/715723179.db2.gz DSDPZKHGIPZSNC-QGZVFWFLSA-N 2 0 352.544 3.006 20 0 FGADRP CC[N@H+](C)C[C@H]1CC[NH+](CC[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000779477315 724416031 /nfs/dbraw/zinc/41/60/31/724416031.db2.gz AREXPXWVGPWAAJ-ZWKOTPCHSA-N 2 0 353.551 3.297 20 0 FGADRP Fc1ccc(C[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)c(C(F)(F)F)c1 ZINC000629672067 716333440 /nfs/dbraw/zinc/33/34/40/716333440.db2.gz DNIGJDQNUPQPND-MRXNPFEDSA-N 2 0 360.395 3.435 20 0 FGADRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2ccc(CC(F)(F)F)cc2)CC1 ZINC000631154150 716575204 /nfs/dbraw/zinc/57/52/04/716575204.db2.gz FRWRROROYFWWRB-UHFFFAOYSA-N 2 0 357.464 3.297 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+][C@H]1CCCS(=O)(=O)CC1 ZINC000634953193 717134940 /nfs/dbraw/zinc/13/49/40/717134940.db2.gz UQDLLCVGEYCSNH-XLIONFOSSA-N 2 0 364.555 3.118 20 0 FGADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]CCc1c2ccccc2[nH]c1C(F)(F)F ZINC000635020842 717140410 /nfs/dbraw/zinc/14/04/10/717140410.db2.gz MPUVVJYOUOMKAR-GLQYFDAESA-N 2 0 355.404 3.071 20 0 FGADRP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2Cc1ccc(CC(F)(F)F)cc1 ZINC000638178075 717417024 /nfs/dbraw/zinc/41/70/24/717417024.db2.gz FAKHYBNLVXRJKH-FGTMMUONSA-N 2 0 356.432 3.475 20 0 FGADRP CN1CC[C@H]([NH2+]CCC[NH+](C)C)C[C@H]1c1ccc(Br)cc1 ZINC000638289460 717430658 /nfs/dbraw/zinc/43/06/58/717430658.db2.gz JHVUMLOKQXMOML-IRXDYDNUSA-N 2 0 354.336 3.126 20 0 FGADRP C[NH+](C)C[C@H](NC(=O)CC[C@H]1CC[NH2+]C1)c1ccc(Cl)c(Cl)c1 ZINC000638663063 717473010 /nfs/dbraw/zinc/47/30/10/717473010.db2.gz FEEXJPGWEVRLHS-LRDDRELGSA-N 2 0 358.313 3.102 20 0 FGADRP CCC1([NH+](C)C)CCN(C(=O)[C@H]([NH3+])c2ccc(C(F)(F)F)cc2)CC1 ZINC000638979399 717504043 /nfs/dbraw/zinc/50/40/43/717504043.db2.gz CVHXVCNQBQECGE-OAHLLOKOSA-N 2 0 357.420 3.038 20 0 FGADRP C[NH2+][C@@H](CC(C)(C)C)C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000645808379 718243006 /nfs/dbraw/zinc/24/30/06/718243006.db2.gz MNVPEIFVECKNLA-RDJZCZTQSA-N 2 0 351.560 3.101 20 0 FGADRP C[N@H+](CCC[C@@H]1CCOC1)[C@H]1CCC[NH+](CCC[C@@H]2CCOC2)CC1 ZINC000645839682 718245527 /nfs/dbraw/zinc/24/55/27/718245527.db2.gz XSLYWQBDBJCGRR-NJYVYQBISA-N 2 0 352.563 3.406 20 0 FGADRP Brc1cccc(N2CC[C@H]([NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@H]4C3)C2)c1 ZINC000647795247 718378152 /nfs/dbraw/zinc/37/81/52/718378152.db2.gz MFKMCVDURLUCRS-ABFRBSLYSA-N 2 0 364.331 3.006 20 0 FGADRP COc1ccc(CC[N@@H+](Cc2ccsc2)C[C@H]2CC[NH2+]C2)cc1OC ZINC000647890003 718383474 /nfs/dbraw/zinc/38/34/74/718383474.db2.gz FHOFVNAAOYZVMB-KRWDZBQOSA-N 2 0 360.523 3.420 20 0 FGADRP CC(C)(O)C[NH+]1CCC([NH2+][C@@H]2CCCN(c3ccccc3Cl)C2)CC1 ZINC000647909337 718386033 /nfs/dbraw/zinc/38/60/33/718386033.db2.gz DDUKWDXYAOHVRT-QGZVFWFLSA-N 2 0 365.949 3.134 20 0 FGADRP CSc1cccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC000647976582 718391255 /nfs/dbraw/zinc/39/12/55/718391255.db2.gz QKBZMBZDXCCNJF-BBWFWOEESA-N 2 0 361.555 3.447 20 0 FGADRP [NH3+]C[C@@H]1C[N@H+](CCCc2ccc(C(F)(F)F)cc2)CC12CCOCC2 ZINC000647986153 718392720 /nfs/dbraw/zinc/39/27/20/718392720.db2.gz XJRHCGKIHVRNGB-QGZVFWFLSA-N 2 0 356.432 3.325 20 0 FGADRP C[C@H]1OCC[C@@]1(C)[NH2+]Cc1cc(C[NH2+][C@@]2(C)CCO[C@H]2C)ccc1F ZINC000649489582 718520469 /nfs/dbraw/zinc/52/04/69/718520469.db2.gz SZLVPVJXVOULNY-IDENBPMYSA-N 2 0 350.478 3.140 20 0 FGADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@H+](Cc3ccc(Br)cc3)C2)C1 ZINC000650705468 718717111 /nfs/dbraw/zinc/71/71/11/718717111.db2.gz ICAHVLJCADIVBY-DJIMGWMZSA-N 2 0 353.304 3.167 20 0 FGADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@H+](Cc3ccc(Br)c(F)c3)C2)C1 ZINC000650708173 718717463 /nfs/dbraw/zinc/71/74/63/718717463.db2.gz UVWRAHKPDASCDP-CKEIUWERSA-N 2 0 371.294 3.307 20 0 FGADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@H+](Cc3sccc3Br)C2)C1 ZINC000650707681 718717765 /nfs/dbraw/zinc/71/77/65/718717765.db2.gz KSUCRHQELMKLDU-OUCADQQQSA-N 2 0 359.333 3.229 20 0 FGADRP [NH3+]Cc1ccc(C[NH2+]Cc2cc(Cl)c3c(c2)OCCCO3)c(F)c1 ZINC000650718474 718719506 /nfs/dbraw/zinc/71/95/06/718719506.db2.gz OFMTZKDHKHHSKK-UHFFFAOYSA-N 2 0 350.821 3.389 20 0 FGADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2Cc2cnc(-c3ccncc3)s2)C1 ZINC000650723391 718720595 /nfs/dbraw/zinc/72/05/95/718720595.db2.gz NFNCZGRVGRYQNC-NXHRZFHOSA-N 2 0 358.511 3.066 20 0 FGADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@@H+]2Cc2sccc2Br)C1 ZINC000650723788 718721335 /nfs/dbraw/zinc/72/13/35/718721335.db2.gz UCRIPDFREITPNK-MRVWCRGKSA-N 2 0 359.333 3.371 20 0 FGADRP CC[N@H+](CCCNC(=O)N(C)[C@@H]1CC[NH+](C)[C@H](C)C1)C1CCCCC1 ZINC000651219722 718783838 /nfs/dbraw/zinc/78/38/38/718783838.db2.gz FWIVCQFAIYQMDD-IEBWSBKVSA-N 2 0 352.567 3.155 20 0 FGADRP C[N@H+](Cc1ccc(N2[C@H](C(F)(F)F)CCC23CC[NH2+]CC3)nc1)C1CC1 ZINC001164413461 718881410 /nfs/dbraw/zinc/88/14/10/718881410.db2.gz ISHBAYVVWZHPKX-INIZCTEOSA-N 2 0 368.447 3.329 20 0 FGADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@H+](Cc3cc(F)cc(Br)c3)C2)C1 ZINC000652348705 718935146 /nfs/dbraw/zinc/93/51/46/718935146.db2.gz NXCDHTVYXOISMI-XYPHTWIQSA-N 2 0 371.294 3.307 20 0 FGADRP C[C@H]1CCC[N@H+](CCC(=O)Nc2ccccc2Br)[C@@H]1CC[NH3+] ZINC000652354444 718936419 /nfs/dbraw/zinc/93/64/19/718936419.db2.gz YRIMNLNEYHOFDN-XJKSGUPXSA-N 2 0 368.319 3.227 20 0 FGADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2CCC(=O)Nc2cccc(Cl)c2)C1 ZINC000652361663 718936816 /nfs/dbraw/zinc/93/68/16/718936816.db2.gz LXPKQQBRJXTVMN-NJAFHUGGSA-N 2 0 365.905 3.029 20 0 FGADRP C[NH2+]C[C@H]1CCCN1C(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000652613208 718965975 /nfs/dbraw/zinc/96/59/75/718965975.db2.gz NAKKEOGIAKNJDO-QGZVFWFLSA-N 2 0 362.543 3.090 20 0 FGADRP O=C(Nc1ccc(SCC[NH+]2CCCC2)cc1)[C@@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000653253185 719030488 /nfs/dbraw/zinc/03/04/88/719030488.db2.gz KGQKOTFAIXUMEB-OALUTQOASA-N 2 0 359.539 3.344 20 0 FGADRP Fc1cccc(F)c1CCC[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000653562208 719058025 /nfs/dbraw/zinc/05/80/25/719058025.db2.gz JPTFEHGKRWYZAO-UHFFFAOYSA-N 2 0 352.469 3.474 20 0 FGADRP C[C@@H](C[NH2+]C1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000655802189 719342241 /nfs/dbraw/zinc/34/22/41/719342241.db2.gz FAACWHAWLQDNRO-IYWGDAJJSA-N 2 0 351.579 3.117 20 0 FGADRP CC(C)[N@H+](C)C[C@@H](O)C[NH2+]CC1(Cc2ccc(Br)cc2)CC1 ZINC000656709134 719447851 /nfs/dbraw/zinc/44/78/51/719447851.db2.gz NFXUNTMIQAMKCK-KRWDZBQOSA-N 2 0 369.347 3.063 20 0 FGADRP Clc1ccc(N2CC[C@@H]([NH2+]Cc3ccnn3-c3cc[nH+]cc3)C2)cc1 ZINC000657429694 719648271 /nfs/dbraw/zinc/64/82/71/719648271.db2.gz UFTQQUQKLASQFM-MRXNPFEDSA-N 2 0 353.857 3.289 20 0 FGADRP C[C@@H]1C[NH+](Cc2ccc(C[NH2+]C3CC(CF)(CF)C3)cc2)C[C@@H](C)O1 ZINC000657829313 719718107 /nfs/dbraw/zinc/71/81/07/719718107.db2.gz YCSRYIIUZKWXFS-HZPDHXFCSA-N 2 0 352.469 3.473 20 0 FGADRP COCC[N@H+](C)CCOc1cccc(C[NH2+][C@@H]2CCCSCC2)c1 ZINC000657868377 719722943 /nfs/dbraw/zinc/72/29/43/719722943.db2.gz OILDBXLQPDZDBI-GOSISDBHSA-N 2 0 352.544 3.019 20 0 FGADRP COc1ccc([C@@H](C)[NH2+]CC2CC[NH+](C3CCOCC3)CC2)c(F)c1 ZINC000658070460 719751696 /nfs/dbraw/zinc/75/16/96/719751696.db2.gz VZARYHYFRANFMK-OAHLLOKOSA-N 2 0 350.478 3.376 20 0 FGADRP COc1ncc([C@@H](C)[NH2+]CC2CC[NH+](C3CCOCC3)CC2)cc1Cl ZINC000658070811 719751716 /nfs/dbraw/zinc/75/17/16/719751716.db2.gz RHVNYELFYQLDMC-CQSZACIVSA-N 2 0 367.921 3.285 20 0 FGADRP O=C(C[C@@H]1[NH2+]Cc2ccccc21)N1CC[NH2+]C[C@H]1c1cccc(Cl)c1 ZINC000659312293 719894854 /nfs/dbraw/zinc/89/48/54/719894854.db2.gz WGNUYQOQVNUEFT-OALUTQOASA-N 2 0 355.869 3.048 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N(C)CC(C)(C)[NH3+])c1ccccc1Cl ZINC000659427724 719912847 /nfs/dbraw/zinc/91/28/47/719912847.db2.gz SAGGNKPSPDHHOC-MRXNPFEDSA-N 2 0 354.926 3.102 20 0 FGADRP CC(C)[C@H]([NH3+])CCNC(=O)NC[C@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000659427380 719912917 /nfs/dbraw/zinc/91/29/17/719912917.db2.gz MKLYEQNHDXOJQA-IAGOWNOFSA-N 2 0 366.575 3.194 20 0 FGADRP O=C1Nc2ccccc2S[C@@H]1CC[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000659946032 719961785 /nfs/dbraw/zinc/96/17/85/719961785.db2.gz YUNFUIZFOXQARZ-VQIMIIECSA-N 2 0 359.539 3.440 20 0 FGADRP COc1cccc(SCC[NH+]2CCC(OCC[NH+]3CCCC3)CC2)c1 ZINC000659973551 719966244 /nfs/dbraw/zinc/96/62/44/719966244.db2.gz GHYFLVCTTDTTGL-UHFFFAOYSA-N 2 0 364.555 3.364 20 0 FGADRP [NH3+][C@H]1CCO[C@H](C2CC[NH+](CCSc3ccc(F)cc3F)CC2)C1 ZINC000662280914 720409002 /nfs/dbraw/zinc/40/90/02/720409002.db2.gz HIZDPIATCLMMFH-RDJZCZTQSA-N 2 0 356.482 3.275 20 0 FGADRP CC[N@H+](C[C@@H]1CCC2(C[NH2+]C2)O1)[C@@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC000662320868 720415050 /nfs/dbraw/zinc/41/50/50/720415050.db2.gz XFSJWFZYGXFMHF-YOEHRIQHSA-N 2 0 356.432 3.479 20 0 FGADRP O=C(NCC1([NH+]2CCCCC2)CCCCC1)c1cc2c(s1)CC[NH2+]C2 ZINC000662345321 720417000 /nfs/dbraw/zinc/41/70/00/720417000.db2.gz YMPRTLCFVDCFCO-UHFFFAOYSA-N 2 0 361.555 3.312 20 0 FGADRP C[NH+](C)[C@H](CNC(=O)c1ccc2c(c1)[C@@H](C[NH3+])CCC2)c1ccsc1 ZINC000662378641 720423192 /nfs/dbraw/zinc/42/31/92/720423192.db2.gz DJSOEKKFECAEAO-VQIMIIECSA-N 2 0 357.523 3.159 20 0 FGADRP CC[NH+](CC)CCCN(Cc1ccc(Cl)cc1)C(=O)CC1([NH3+])CC1 ZINC000662871343 720464165 /nfs/dbraw/zinc/46/41/65/720464165.db2.gz YLLSURWSOXOZHP-UHFFFAOYSA-N 2 0 351.922 3.282 20 0 FGADRP Cc1cc2ccccc2c(N2CCc3ncc(C[NH+]4CCCC4)n3CC2)[nH+]1 ZINC001164728126 720573632 /nfs/dbraw/zinc/57/36/32/720573632.db2.gz KADUMSZYVYYNAC-UHFFFAOYSA-N 2 0 361.493 3.398 20 0 FGADRP O=C(c1ccccc1Cl)N1CCC([NH2+][C@H]2CC[NH2+]C3(CCC3)C2)CC1 ZINC000666995648 721010702 /nfs/dbraw/zinc/01/07/02/721010702.db2.gz VJGVILVSLGOZSB-INIZCTEOSA-N 2 0 361.917 3.209 20 0 FGADRP C[C@@H](CCNC(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1)[NH+](C)C ZINC000667288836 721068291 /nfs/dbraw/zinc/06/82/91/721068291.db2.gz XKLZELLAHMABMB-INIZCTEOSA-N 2 0 364.559 3.336 20 0 FGADRP COCc1csc(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)c1 ZINC000667959436 721205626 /nfs/dbraw/zinc/20/56/26/721205626.db2.gz ODEFHXBEMCEEAE-UHFFFAOYSA-N 2 0 352.544 3.219 20 0 FGADRP CCc1ccc(Cl)c(CC)c1NC(=O)CCC[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000675953937 721780249 /nfs/dbraw/zinc/78/02/49/721780249.db2.gz PSGODFJPBCOCPX-HOTGVXAUSA-N 2 0 363.933 3.335 20 0 FGADRP C[C@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)c1ccc(Br)c(F)c1 ZINC000676076890 721785188 /nfs/dbraw/zinc/78/51/88/721785188.db2.gz YAEJHFWSBBZKLI-ZDUSSCGKSA-N 2 0 372.326 3.265 20 0 FGADRP Cc1c[nH+]c(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)c(N)c1 ZINC001165028913 721820398 /nfs/dbraw/zinc/82/03/98/721820398.db2.gz YCILGGKRZUZGAR-QRFRQXIXSA-N 2 0 351.498 3.104 20 0 FGADRP CC(C)[NH+]1CCN(C2CC[NH+](CCO[C@H]3CCCC[C@H]3C)CC2)CC1 ZINC000677739143 721913431 /nfs/dbraw/zinc/91/34/31/721913431.db2.gz VEYPHVNRGZQMMV-CTNGQTDRSA-N 2 0 351.579 3.072 20 0 FGADRP OC[C@H](C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)Cc1ccccc1C(F)(F)F ZINC000678600344 721966742 /nfs/dbraw/zinc/96/67/42/721966742.db2.gz MAKCRCIGWQHKJQ-BHYGNILZSA-N 2 0 356.432 3.073 20 0 FGADRP C[C@H]([NH2+][C@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)c(F)c1)C1CC[NH+](C)CC1 ZINC000678607178 721967309 /nfs/dbraw/zinc/96/73/09/721967309.db2.gz NNZIEGRCUHVXNF-OYYNGEPBSA-N 2 0 367.896 3.071 20 0 FGADRP C[NH+]1CCC(N2CC[C@@H]([NH2+][C@H]3CCCOc4cc(Cl)ccc43)C2)CC1 ZINC000678770856 721977521 /nfs/dbraw/zinc/97/75/21/721977521.db2.gz INQUINIOOYRPLI-APWZRJJASA-N 2 0 363.933 3.312 20 0 FGADRP CCS(=O)(=O)CCCCC[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000682756577 722264172 /nfs/dbraw/zinc/26/41/72/722264172.db2.gz SXLGKTQZZCZPDM-UHFFFAOYSA-N 2 0 358.592 3.179 20 0 FGADRP C[C@H]([NH2+][C@H]1CCN(c2cccc(Br)c2)C1)C1CC[NH+](C)CC1 ZINC000683820878 722310629 /nfs/dbraw/zinc/31/06/29/722310629.db2.gz DDSNARDKFGRDKJ-YOEHRIQHSA-N 2 0 366.347 3.348 20 0 FGADRP C[C@@H](Cc1cccc(C(F)(F)F)c1)[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000684953782 722369367 /nfs/dbraw/zinc/36/93/67/722369367.db2.gz LNYPVOZFOMIYCK-HNNXBMFYSA-N 2 0 357.464 3.252 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+][C@@H]1CCO[C@@H](C(F)(F)F)C1 ZINC000708529229 722412873 /nfs/dbraw/zinc/41/28/73/722412873.db2.gz JPFFHGDJQJFVLQ-BZZMCLGOSA-N 2 0 356.432 3.454 20 0 FGADRP C[N@@H+]1CCCC[C@H](C[NH2+][C@H]2C[C@H]3C[C@@H](C2)N(C(=O)OC(C)(C)C)C3)C1 ZINC000709458754 722413166 /nfs/dbraw/zinc/41/31/66/722413166.db2.gz OFBJUYLKQVHILF-OWSLCNJRSA-N 2 0 351.535 3.096 20 0 FGADRP CC[NH+](CC)Cc1ccc(CNC(=S)NCC(C)(C)C[NH+](C)C)cc1 ZINC000727069855 722440826 /nfs/dbraw/zinc/44/08/26/722440826.db2.gz LHDAESULNXWIMA-UHFFFAOYSA-N 2 0 364.603 3.080 20 0 FGADRP C[C@H]1C[C@H](N(C)C(=O)NCCCCCCC[NH+]2CCCC2)CC[N@@H+]1C ZINC000747957642 722669389 /nfs/dbraw/zinc/66/93/89/722669389.db2.gz VGWPHJBLHZCTKO-RBUKOAKNSA-N 2 0 352.567 3.157 20 0 FGADRP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)NCCCCCCC[NH+]2CCCC2)C1 ZINC000749578491 722733421 /nfs/dbraw/zinc/73/34/21/722733421.db2.gz CKQJZQPLLJPZMD-RBUKOAKNSA-N 2 0 352.567 3.205 20 0 FGADRP C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCC[N@H+](CC[C@H]2CCCC[NH+]2C)C1 ZINC000760905356 723103347 /nfs/dbraw/zinc/10/33/47/723103347.db2.gz AYSVEZYYVUFZTK-RCCFBDPRSA-N 2 0 353.551 3.486 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)C[C@@H](O)c2cccs2)[C@H](C)C1 ZINC000763412006 723341528 /nfs/dbraw/zinc/34/15/28/723341528.db2.gz CMZMTCQOMDMVAM-ZJPYXAASSA-N 2 0 354.560 3.287 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@](C)(O)c2ccccc2Cl)[C@@H](C)C1 ZINC000765806384 723541989 /nfs/dbraw/zinc/54/19/89/723541989.db2.gz CCFKJKYEGPYQBS-FFZOFVMBSA-N 2 0 368.949 3.274 20 0 FGADRP Cc1cc(C[NH2+]Cc2ccc(CN3CC[NH+](C)CC3)cc2)cc(Cl)n1 ZINC000797595081 723839495 /nfs/dbraw/zinc/83/94/95/723839495.db2.gz LZVKQXUVEKDUOX-UHFFFAOYSA-N 2 0 358.917 3.081 20 0 FGADRP CC(C)(C)OC(=O)NC[C@H]1CCC[C@@H]1[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000774495520 723900006 /nfs/dbraw/zinc/90/00/06/723900006.db2.gz JFPRCQBAYGZGPB-AEFFLSMTSA-N 2 0 351.535 3.144 20 0 FGADRP Cc1cc(Br)cc(C[NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)c1 ZINC000775015484 723952217 /nfs/dbraw/zinc/95/22/17/723952217.db2.gz GKUGGNDXVTVLRY-HNNXBMFYSA-N 2 0 355.320 3.348 20 0 FGADRP O[C@@H](C[NH2+][C@@H](c1ccc(Br)cc1)C1CCC1)C[NH+]1CCCC1 ZINC000775205113 723970902 /nfs/dbraw/zinc/97/09/02/723970902.db2.gz SSXFHRCOBJQFLL-ZWKOTPCHSA-N 2 0 367.331 3.337 20 0 FGADRP C[NH+]1CCC2(CCC[N@H+](Cc3cc(Cl)c4c(c3)OCCO4)C2)CC1 ZINC000798957118 723979782 /nfs/dbraw/zinc/97/97/82/723979782.db2.gz VGFXJPAGVLYGNG-UHFFFAOYSA-N 2 0 350.890 3.419 20 0 FGADRP C[NH+]1CCC2(CCC[N@H+](C[C@H]3CCN(C(=O)OC(C)(C)C)C3)C2)CC1 ZINC000799177652 723995280 /nfs/dbraw/zinc/99/52/80/723995280.db2.gz ZGHPORNHLAEUHH-QGZVFWFLSA-N 2 0 351.535 3.051 20 0 FGADRP C[NH+]1CCC2(CCC[N@H+](CCC(=O)Nc3cc(F)cc(F)c3)C2)CC1 ZINC000799178065 723995555 /nfs/dbraw/zinc/99/55/55/723995555.db2.gz JWRWDRDFFLQOOP-UHFFFAOYSA-N 2 0 351.441 3.101 20 0 FGADRP C[NH+]1CCC(C)(C[NH2+]Cc2cnc(NC(=O)OC(C)(C)C)s2)CC1 ZINC000800263358 724172319 /nfs/dbraw/zinc/17/23/19/724172319.db2.gz WQGKLPNSVAPTHP-UHFFFAOYSA-N 2 0 354.520 3.312 20 0 FGADRP C[N@H+](CC[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)C[C@@H]1CCC[NH+](C)C1 ZINC000801922292 724346353 /nfs/dbraw/zinc/34/63/53/724346353.db2.gz HKJSMQFHWXHTED-ZWKOTPCHSA-N 2 0 353.551 3.297 20 0 FGADRP C[C@@H]1C[N@@H+](CCCC[NH2+][C@@H]2COCc3cccc(Cl)c32)C[C@H](C)O1 ZINC000788644462 725078283 /nfs/dbraw/zinc/07/82/83/725078283.db2.gz NLDCLRNTPWQPDR-RVKKMQEKSA-N 2 0 352.906 3.390 20 0 FGADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@H](C)C2CN(C(=O)OC(C)(C)C)C2)C1 ZINC000788671629 725080217 /nfs/dbraw/zinc/08/02/17/725080217.db2.gz MYSPBFHUYYLDSY-IAGOWNOFSA-N 2 0 353.551 3.199 20 0 FGADRP CC(C)[NH+]1CCC([NH2+][C@@H]2[C@H](C)CCN(C(=O)OC(C)(C)C)[C@@H]2C)CC1 ZINC000809717485 725262067 /nfs/dbraw/zinc/26/20/67/725262067.db2.gz IRAKOVPRTKOSCC-JFIYKMOQSA-N 2 0 353.551 3.483 20 0 FGADRP CSC1(C[NH2+][C@H](C)c2cccc(N3CCOC3=O)c2)CC[NH+](C)CC1 ZINC000810253050 725299963 /nfs/dbraw/zinc/29/99/63/725299963.db2.gz YRMYMZVXLOEPMC-OAHLLOKOSA-N 2 0 363.527 3.121 20 0 FGADRP CSC1(C[NH2+][C@H](C)c2ccc(N3CCOC3=O)cc2)CC[NH+](C)CC1 ZINC000810252669 725300006 /nfs/dbraw/zinc/30/00/06/725300006.db2.gz SDDMCHGJXKOWBC-OAHLLOKOSA-N 2 0 363.527 3.121 20 0 FGADRP CSC1(C[NH2+][C@H]2CCCN(C(=O)OC(C)(C)C)CC2)CC[NH+](C)CC1 ZINC000810252123 725300030 /nfs/dbraw/zinc/30/00/30/725300030.db2.gz IYXHUOMPNJVJNV-INIZCTEOSA-N 2 0 371.591 3.193 20 0 FGADRP CSC1(C[NH2+][C@@H](C)c2ccc(N3CCCC3=O)cc2)CC[NH+](C)CC1 ZINC000810253011 725300067 /nfs/dbraw/zinc/30/00/67/725300067.db2.gz XPWZWTCLKUKVMA-INIZCTEOSA-N 2 0 361.555 3.291 20 0 FGADRP C[N@H+](CCCOC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1)Cc1ccccc1 ZINC000810627609 725318537 /nfs/dbraw/zinc/31/85/37/725318537.db2.gz UTJUVCHZUXODGO-HXUWFJFHSA-N 2 0 350.478 3.264 20 0 FGADRP CSC1(C[NH2+]Cc2c(Cl)n(C)nc2C(F)(F)F)CC[NH+](C)CC1 ZINC000811513705 725371835 /nfs/dbraw/zinc/37/18/35/725371835.db2.gz MTUUOSRSXBHOLZ-UHFFFAOYSA-N 2 0 370.872 3.009 20 0 FGADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C[C@H](O)c1cc(Cl)c2c(c1)OCCO2 ZINC000817896718 727287148 /nfs/dbraw/zinc/28/71/48/727287148.db2.gz QJBXPNLMGLCFDQ-KMFMINBZSA-N 2 0 368.905 3.045 20 0 FGADRP C[C@@H](C[NH2+]C[C@@](C)(O)c1ccc(Br)cc1F)C[NH+]1CCCC1 ZINC000818966009 727331671 /nfs/dbraw/zinc/33/16/71/727331671.db2.gz GPANXNPJXOWZFK-SUMWQHHRSA-N 2 0 373.310 3.117 20 0 FGADRP C[C@@H](C[NH2+]C[C@H](O)c1cccc(Br)c1)C[NH+]1CCCCC1 ZINC000818970210 727332188 /nfs/dbraw/zinc/33/21/88/727332188.db2.gz VDOVBEZFTOLKCW-YOEHRIQHSA-N 2 0 355.320 3.194 20 0 FGADRP CC(C)C[NH+]1CCC([NH2+]C[C@@H](O)c2ccc(F)c(Br)c2)CC1 ZINC000818980753 727333792 /nfs/dbraw/zinc/33/37/92/727333792.db2.gz NDDIJRPMJCUFII-QGZVFWFLSA-N 2 0 373.310 3.332 20 0 FGADRP C[NH+](C)CCOc1ccccc1C[NH2+]C[C@@H](O)c1ccc(Cl)c(F)c1 ZINC000818985096 727334328 /nfs/dbraw/zinc/33/43/28/727334328.db2.gz NYONSVRLYQWANO-GOSISDBHSA-N 2 0 366.864 3.243 20 0 FGADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]C[C@H](O)c2ccc(Br)cc2)C1 ZINC000818985785 727334720 /nfs/dbraw/zinc/33/47/20/727334720.db2.gz VYEOARFCKIYSJR-YOEHRIQHSA-N 2 0 355.320 3.193 20 0 FGADRP CC(C)C[N@@H+]1CC[C@@H](C[NH2+]C[C@H](O)c2ccc(F)c(Br)c2)C1 ZINC000819152193 727353069 /nfs/dbraw/zinc/35/30/69/727353069.db2.gz NYCNFHSPPFLYRQ-GUYCJALGSA-N 2 0 373.310 3.189 20 0 FGADRP CC(C)(C[NH2+]C[C@H](O)c1ccc(OC(F)(F)F)cc1)C[NH+]1CCCC1 ZINC000819258609 727362007 /nfs/dbraw/zinc/36/20/07/727362007.db2.gz BFSHGEHOQJNUJT-INIZCTEOSA-N 2 0 360.420 3.330 20 0 FGADRP C[C@@H](C[NH2+][C@H](Cc1ccccc1Cl)c1ccoc1)N1CC[NH+](C)CC1 ZINC000820810217 729033435 /nfs/dbraw/zinc/03/34/35/729033435.db2.gz RPIGIYUHNIRULG-OXJNMPFZSA-N 2 0 361.917 3.442 20 0 FGADRP C[C@H]1CC[C@@H]([NH2+]C2CC[NH+](C3CCC3)CC2)CN1C(=O)OC(C)(C)C ZINC000822451633 729176538 /nfs/dbraw/zinc/17/65/38/729176538.db2.gz NMAUHSNACKHSJF-DOTOQJQBSA-N 2 0 351.535 3.381 20 0 FGADRP CC(C)[C@@H](CNC(=O)OC(C)(C)C)C[N@@H+]1CCC[C@H](c2ncc[nH]2)C1 ZINC000823413906 729277873 /nfs/dbraw/zinc/27/78/73/729277873.db2.gz OAKHEWWDJPQBBO-HOTGVXAUSA-N 2 0 350.507 3.386 20 0 FGADRP CC[NH+]1CCC(C[NH2+]C[C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)CC1 ZINC000823813278 729306002 /nfs/dbraw/zinc/30/60/02/729306002.db2.gz YVFOWBLQROQPQQ-SJLPKXTDSA-N 2 0 353.551 3.344 20 0 FGADRP CC(C)[C@H](CNC(=O)OC(C)(C)C)C[NH2+]C1CCC(C[NH+](C)C)CC1 ZINC000824023176 729316488 /nfs/dbraw/zinc/31/64/88/729316488.db2.gz KOFPSFQOCHXIHQ-ADKAHSJRSA-N 2 0 355.567 3.493 20 0 FGADRP CCC[NH+]1CCC([NH2+]C[C@H]2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)CC1 ZINC000824081033 729319017 /nfs/dbraw/zinc/31/90/17/729319017.db2.gz RPUFLWQFJITHRW-SJORKVTESA-N 2 0 353.551 3.486 20 0 FGADRP OC[C@H]1CCCC[NH+]1Cc1cc(Cl)cc(C[N@H+]2CCCC[C@@H]2CO)c1 ZINC000827411439 729429838 /nfs/dbraw/zinc/42/98/38/729429838.db2.gz UVNGRICNUXYWNR-WOJBJXKFSA-N 2 0 366.933 3.034 20 0 FGADRP CC[NH+](CC)CCN(CC(C)C)C(=O)C[C@@H]([NH3+])c1cc(C)nc(Cl)c1 ZINC000831412781 729640560 /nfs/dbraw/zinc/64/05/60/729640560.db2.gz XMXSREMFMJIFMH-QGZVFWFLSA-N 2 0 368.953 3.260 20 0 FGADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000834566636 729814910 /nfs/dbraw/zinc/81/49/10/729814910.db2.gz PTLVZAFTUVTONT-KSZLIROESA-N 2 0 353.551 3.484 20 0 FGADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@H](C)[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000834566637 729814974 /nfs/dbraw/zinc/81/49/74/729814974.db2.gz PTLVZAFTUVTONT-KURKYZTESA-N 2 0 353.551 3.484 20 0 FGADRP Fc1ccc([C@@H]2CC[NH2+]C[C@@H]2C[NH2+][C@@H]2CC[C@H]3SCCS[C@@H]23)cc1 ZINC000841075630 730208007 /nfs/dbraw/zinc/20/80/07/730208007.db2.gz TVECFNMVPSAALQ-QTUASDBPSA-N 2 0 366.571 3.488 20 0 FGADRP CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@H]([NH2+]C3CCC(C[NH3+])CC3)C[C@H]2C1 ZINC000841102582 730211513 /nfs/dbraw/zinc/21/15/13/730211513.db2.gz FMNRZRJPRSJOJP-HBWZYELFSA-N 2 0 351.535 3.129 20 0 FGADRP C[C@H](NC(=O)C[N@@H+]1CCC2(C1)CC[NH2+]CC2)c1ccc(Cl)cc1Cl ZINC000843364211 730611137 /nfs/dbraw/zinc/61/11/37/730611137.db2.gz RQZKNGLRRXWLBL-ZDUSSCGKSA-N 2 0 370.324 3.246 20 0 FGADRP O=C(C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1)Nc1ccccc1SC(F)F ZINC000843388443 730612741 /nfs/dbraw/zinc/61/27/41/730612741.db2.gz NUQFUMDWGKLYCL-KBPBESRZSA-N 2 0 369.481 3.261 20 0 FGADRP C[C@@H]1C[C@@H]([NH2+]CC2CC[NH+](C3CC3)CC2)CN(C(=O)OC(C)(C)C)C1 ZINC000843405134 730616047 /nfs/dbraw/zinc/61/60/47/730616047.db2.gz BHDBIWUDODLTIO-NVXWUHKLSA-N 2 0 351.535 3.096 20 0 FGADRP Cc1cc([C@H]([NH3+])CC(=O)NC[C@@H](C2CCCCC2)[NH+](C)C)cc(Cl)n1 ZINC000844172481 730690484 /nfs/dbraw/zinc/69/04/84/730690484.db2.gz UXIQJDAYQUOTBR-SJORKVTESA-N 2 0 366.937 3.060 20 0 FGADRP C[NH+](C)CC1CCC([NH2+]C2CC(CCNC(=O)OC(C)(C)C)C2)CC1 ZINC000845946480 730911739 /nfs/dbraw/zinc/91/17/39/730911739.db2.gz QPMQKDPWPHYPFD-UHFFFAOYSA-N 2 0 353.551 3.390 20 0 FGADRP CC(C)(C)OC(=O)N[C@H]1CCC[C@H]([NH2+]C2CC[NH+](C3CCC3)CC2)C1 ZINC000848526455 731175126 /nfs/dbraw/zinc/17/51/26/731175126.db2.gz XTLVXGVUFNAWSO-IRXDYDNUSA-N 2 0 351.535 3.429 20 0 FGADRP CC(C)(CNC(=[NH2+])NCCc1cccs1)[N@@H+]1CCc2ccccc2C1 ZINC000849060057 731224975 /nfs/dbraw/zinc/22/49/75/731224975.db2.gz HIHBXDKMTRCBJO-UHFFFAOYSA-N 2 0 356.539 3.241 20 0 FGADRP Brc1ccoc1C[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000850344463 731344550 /nfs/dbraw/zinc/34/45/50/731344550.db2.gz JLMDVVXQZTXTJV-UHFFFAOYSA-N 2 0 357.292 3.023 20 0 FGADRP C[N@@H+]1CC[C@H]([NH2+]CC2(NC(=O)OC(C)(C)C)CCCC2)[C@@H]2CCC[C@H]21 ZINC000850522655 731369015 /nfs/dbraw/zinc/36/90/15/731369015.db2.gz KOEBJQOQOCXUNU-YESZJQIVSA-N 2 0 351.535 3.286 20 0 FGADRP C[N@@H+]1CC[C@H]([NH2+]CC2(NC(=O)OC(C)(C)C)CCCC2)[C@H]2CCC[C@@H]21 ZINC000850522652 731369054 /nfs/dbraw/zinc/36/90/54/731369054.db2.gz KOEBJQOQOCXUNU-IKGGRYGDSA-N 2 0 351.535 3.286 20 0 FGADRP C[C@H]([NH2+]C[C@]12OCCC[C@H]1C2(F)F)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000850535178 731370465 /nfs/dbraw/zinc/37/04/65/731370465.db2.gz VMQKPVASWVHYQT-KANFNMMFSA-N 2 0 350.453 3.301 20 0 FGADRP O=C(C=C1CC[NH2+]CC1)N(CC[NH+]1CCCC1)Cc1ccc(Cl)cc1 ZINC000852885999 731642359 /nfs/dbraw/zinc/64/23/59/731642359.db2.gz WPMCFBJRFRMFOP-UHFFFAOYSA-N 2 0 361.917 3.074 20 0 FGADRP CC[NH+](CC)CCN(Cc1ccc(Cl)cc1)C(=O)C=C1CC[NH2+]CC1 ZINC000852906769 731643795 /nfs/dbraw/zinc/64/37/95/731643795.db2.gz RPGQHUADQDQCCF-UHFFFAOYSA-N 2 0 363.933 3.320 20 0 FGADRP CC[N@H+](C)Cc1cc(O[C@H]2CC[NH+](C[C@@H]3CCC(F)(F)C3)C2)ccn1 ZINC000856585112 732040236 /nfs/dbraw/zinc/04/02/36/732040236.db2.gz ZMIRUKMHQBUCJQ-QAPCUYQASA-N 2 0 353.457 3.422 20 0 FGADRP C[C@@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000858492103 732220038 /nfs/dbraw/zinc/22/00/38/732220038.db2.gz SZKMREOUBPMTTN-SQNIBIBYSA-N 2 0 353.551 3.486 20 0 FGADRP CC[C@@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000858491474 732220293 /nfs/dbraw/zinc/22/02/93/732220293.db2.gz IRQHZLOKVRSARK-KURKYZTESA-N 2 0 353.551 3.486 20 0 FGADRP O=C(CCC12CC(C1)C[NH2+]2)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000870949782 733903875 /nfs/dbraw/zinc/90/38/75/733903875.db2.gz PYOCKLVWMBAQAP-UHFFFAOYSA-N 2 0 359.539 3.345 20 0 FGADRP CC(C)C[N@H+](CC1CC[NH+](C)CC1)Cn1c(=O)scc1C(F)(F)F ZINC000872744182 735670270 /nfs/dbraw/zinc/67/02/70/735670270.db2.gz QPKYQTGHYZNSNJ-UHFFFAOYSA-N 2 0 365.465 3.186 20 0 FGADRP C[C@H]([NH2+][C@H]1CC[NH2+]CC(C)(C)C1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000873246383 735743376 /nfs/dbraw/zinc/74/33/76/735743376.db2.gz VJHQJPQKQIOTIV-JSGCOSHPSA-N 2 0 360.470 3.112 20 0 FGADRP Cc1nc(C2CC[NH2+]CC2)sc1C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000876725149 736136459 /nfs/dbraw/zinc/13/64/59/736136459.db2.gz GDIABDBPMAVNDM-UHFFFAOYSA-N 2 0 358.511 3.232 20 0 FGADRP CCO[P@](C)(=O)CC[C@@H](C)[NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000877065305 736182978 /nfs/dbraw/zinc/18/29/78/736182978.db2.gz YPADNWSIIVNZBJ-CJAUYULYSA-N 2 0 373.522 3.249 20 0 FGADRP C[NH+](C)C[C@@H]1CN(Cc2ccc(F)cc2C(F)(F)F)C[C@H]1C[NH+](C)C ZINC000877669715 736701975 /nfs/dbraw/zinc/70/19/75/736701975.db2.gz WCPNXVIRHPIGSF-HUUCEWRRSA-N 2 0 361.427 3.016 20 0 FGADRP CC[NH+](CC)CCCC1CC[NH+](C[C@H]2CC3(CO2)CCOCC3)CC1 ZINC000878401106 736825057 /nfs/dbraw/zinc/82/50/57/736825057.db2.gz OJUVFSOEPZVIPX-HXUWFJFHSA-N 2 0 352.563 3.406 20 0 FGADRP C[C@H](C(=O)Nc1cccnc1Cl)[N@H+](C)CCCC[NH+]1CCCCC1 ZINC000880517612 737183824 /nfs/dbraw/zinc/18/38/24/737183824.db2.gz USYISAADQQKVFH-OAHLLOKOSA-N 2 0 352.910 3.260 20 0 FGADRP C([NH2+]C1CC[NH+](C2CCCCC2)CC1)[C@@H]1CCC2(CCOCC2)CO1 ZINC000883254616 737542112 /nfs/dbraw/zinc/54/21/12/737542112.db2.gz XQXKCMCGQNLVBY-FQEVSTJZSA-N 2 0 350.547 3.349 20 0 FGADRP CCC1(NC(=O)OC(C)(C)C)CC[NH+]([C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000883279930 737545597 /nfs/dbraw/zinc/54/55/97/737545597.db2.gz LDKPUUCITLOQFB-SJORKVTESA-N 2 0 351.535 3.383 20 0 FGADRP CCC1([NH+](C)C)CCN(C(=O)[C@@H](N)c2ccccc2C(F)(F)F)CC1 ZINC000884461463 737665961 /nfs/dbraw/zinc/66/59/61/737665961.db2.gz FUOQBMAQHGNFHF-HNNXBMFYSA-N 2 0 357.420 3.038 20 0 FGADRP C[NH+]1CCC(C[NH+]2CCC(C(=O)Nc3cc(Cl)ccc3O)CC2)CC1 ZINC000891707891 739929150 /nfs/dbraw/zinc/92/91/50/739929150.db2.gz AEJPRBMXAGYYEF-UHFFFAOYSA-N 2 0 365.905 3.038 20 0 FGADRP C[C@@H]1CCC[N@H+](CCCC[NH2+]C[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)C1 ZINC000892584494 740020037 /nfs/dbraw/zinc/02/00/37/740020037.db2.gz KXIPLUOAMNSSQT-KURKYZTESA-N 2 0 353.551 3.391 20 0 FGADRP [NH3+]CCCC[C@@H]([NH2+]C[C@@H]1COC2(CCCC2)O1)c1ccc(F)cc1F ZINC000902367683 743737717 /nfs/dbraw/zinc/73/77/17/743737717.db2.gz FBTVGOQJXZYIQU-CRAIPNDOSA-N 2 0 354.441 3.410 20 0 FGADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)CC(C)(C)C2)C1 ZINC000903196301 743820995 /nfs/dbraw/zinc/82/09/95/743820995.db2.gz LWXHSJLEPHIEQD-YESZJQIVSA-N 2 0 353.551 3.342 20 0 FGADRP [NH3+][C@@H]1CCO[C@H](C2CC[NH+](CCOc3ccc(F)c(Cl)c3)CC2)C1 ZINC000903761337 743881495 /nfs/dbraw/zinc/88/14/95/743881495.db2.gz QDKAYYPLMBLXFG-KDOFPFPSSA-N 2 0 356.869 3.076 20 0 FGADRP CCN1CC[NH+](CCCC[NH2+]C[C@H](O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000905110298 743993493 /nfs/dbraw/zinc/99/34/93/743993493.db2.gz LYWSMFYXBRNYQD-SFHVURJKSA-N 2 0 374.356 3.034 20 0 FGADRP CC1([NH+]2CCC2)CCC([NH2+]C[C@@H](O)COCc2ccccc2Cl)CC1 ZINC000905602394 744035710 /nfs/dbraw/zinc/03/57/10/744035710.db2.gz UVMOHCOHMCTMSM-QPIRBTGLSA-N 2 0 366.933 3.214 20 0 FGADRP CCCC[N@H+](C)CC1CCN(C(=O)NC[C@@H](C)[NH+]2CCCCC2)CC1 ZINC000918124413 758305471 /nfs/dbraw/zinc/30/54/71/758305471.db2.gz NPLJNFVQRPGTFS-GOSISDBHSA-N 2 0 352.567 3.014 20 0 FGADRP CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1ccc(Br)cc1)C2 ZINC000922388389 758910043 /nfs/dbraw/zinc/91/00/43/758910043.db2.gz PLGQKSVZMGDBQC-ZJPYXAASSA-N 2 0 367.331 3.018 20 0 FGADRP CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1cc3cc(Cl)cnc3o1)C2 ZINC000922391543 758911569 /nfs/dbraw/zinc/91/15/69/758911569.db2.gz WMVHFCCXJYGNJQ-VXNCWWDNSA-N 2 0 363.889 3.051 20 0 FGADRP CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3cnc(CC(C)C)s3)C2)[C@H]1C(C)C ZINC000922393949 758913879 /nfs/dbraw/zinc/91/38/79/758913879.db2.gz NZUFPCJHLQTGJL-LFGUQSLTSA-N 2 0 365.587 3.301 20 0 FGADRP C[NH2+]CCC1CC[NH+](C[C@@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000923327591 759101559 /nfs/dbraw/zinc/10/15/59/759101559.db2.gz ONXHQGAPRDHKEY-CQSZACIVSA-N 2 0 361.313 3.055 20 0 FGADRP [NH3+]C[C@@H]1CC2(CO1)CC[NH+](Cc1ncc(-c3cccc(Cl)c3)o1)CC2 ZINC000923448495 759119862 /nfs/dbraw/zinc/11/98/62/759119862.db2.gz DCULYLXANIPPBH-INIZCTEOSA-N 2 0 361.873 3.325 20 0 FGADRP [NH3+]C[C@@H]1CC2(CO1)CC[NH+](Cc1coc(-c3ccc(Cl)cc3)n1)CC2 ZINC000923455330 759122068 /nfs/dbraw/zinc/12/20/68/759122068.db2.gz SPKIUILVQGPESF-KRWDZBQOSA-N 2 0 361.873 3.325 20 0 FGADRP C([C@@H]1CCC2(CCOCC2)CO1)[NH+]1CCC([C@@H]2CCC[NH2+]CC2)CC1 ZINC000923506158 759135496 /nfs/dbraw/zinc/13/54/96/759135496.db2.gz IIQWJOSUYWITQK-QUCCMNQESA-N 2 0 350.547 3.064 20 0 FGADRP Brc1cnc2c(c1)[C@H]([NH2+]C[C@@H]1CC[N@@H+](C3CC3)C1)CCC2 ZINC000924648112 759367647 /nfs/dbraw/zinc/36/76/47/759367647.db2.gz KPZJPHXFVSFRJE-BLLLJJGKSA-N 2 0 350.304 3.295 20 0 FGADRP CSC1CC([NH2+]Cc2cccc(OCC[N@H+](C)C3CCOCC3)c2)C1 ZINC000924929389 759418144 /nfs/dbraw/zinc/41/81/44/759418144.db2.gz FZONOIINEHFZLJ-UHFFFAOYSA-N 2 0 364.555 3.160 20 0 FGADRP C[C@H]1C[C@@H]([NH2+]CC2CC[NH+](Cc3ccccc3Cl)CC2)c2ncnn21 ZINC000924988507 759428390 /nfs/dbraw/zinc/42/83/90/759428390.db2.gz BCSXYECYPIUIIT-KBXCAEBGSA-N 2 0 359.905 3.439 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H](NC2CC[NH+](CCC(C)C)CC2)[C@H](C)C1 ZINC000925078382 759444226 /nfs/dbraw/zinc/44/42/26/759444226.db2.gz LNEMEGFKNNMYOV-CTNGQTDRSA-N 2 0 353.595 3.224 20 0 FGADRP C[C@@H]1[C@H]2CC[C@@H](C[C@H]1[NH2+]C1CCN(c3nc4ccccc4s3)CC1)[NH2+]2 ZINC000925587356 759510094 /nfs/dbraw/zinc/51/00/94/759510094.db2.gz XTZUJQORCPOBCY-NOVWEMISSA-N 2 0 356.539 3.384 20 0 FGADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]Cc1cc2cc(Br)ccc2o1 ZINC000925758128 759533045 /nfs/dbraw/zinc/53/30/45/759533045.db2.gz BKWJPYVLPRIMPG-COLVAYQJSA-N 2 0 353.260 3.037 20 0 FGADRP C[C@@H](Cc1ccc(F)cc1Br)[NH2+]C[C@@H]1C[NH2+]CCC1(F)F ZINC000925778919 759536323 /nfs/dbraw/zinc/53/63/23/759536323.db2.gz VHYYTBJARRNBGQ-JQWIXIFHSA-N 2 0 365.237 3.354 20 0 FGADRP [NH3+]C1CCN(CC[NH2+][C@@H]2CCC[C@H]2c2cccc(C(F)(F)F)c2)CC1 ZINC000925816928 759550800 /nfs/dbraw/zinc/55/08/00/759550800.db2.gz LSIGILVUDCLTNE-ZWKOTPCHSA-N 2 0 355.448 3.354 20 0 FGADRP c1ccc2c(c1)O[C@@]1(CC[NH2+]C1)C[C@@H]2[NH2+]CCc1nc2c(s1)CCC2 ZINC000925832766 759554177 /nfs/dbraw/zinc/55/41/77/759554177.db2.gz SVISSELUENLOQS-JXFKEZNVSA-N 2 0 355.507 3.020 20 0 FGADRP C[C@@H]([NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ccc(SC(F)F)cc1 ZINC000925850608 759558229 /nfs/dbraw/zinc/55/82/29/759558229.db2.gz KHVHNNHHHZLSDE-TZMCWYRMSA-N 2 0 370.465 3.337 20 0 FGADRP C[C@H]([NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1cc2cc(Cl)ccc2o1 ZINC000925857558 759561555 /nfs/dbraw/zinc/56/15/55/759561555.db2.gz PNRZWJBFUWWLGX-SWLSCSKDSA-N 2 0 362.857 3.422 20 0 FGADRP Cc1cc(Cl)c2ccccc2c1NC(=O)NCCN1CCC([NH3+])CC1 ZINC000926092093 759640341 /nfs/dbraw/zinc/64/03/41/759640341.db2.gz WXUYUGRXROWYJV-UHFFFAOYSA-N 2 0 360.889 3.346 20 0 FGADRP CCOC(=O)c1csc(CC[NH2+][C@@H](C)c2cccc(C[NH+](C)C)c2)n1 ZINC000926253314 759688763 /nfs/dbraw/zinc/68/87/63/759688763.db2.gz PVAULNZOEBZRDZ-AWEZNQCLSA-N 2 0 361.511 3.275 20 0 FGADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]C[C@@H]2CCC3(CCOCC3)O2)CC1 ZINC000927014155 759876785 /nfs/dbraw/zinc/87/67/85/759876785.db2.gz NQQJTAPPVBPEJN-HOJAQTOUSA-N 2 0 350.547 3.347 20 0 FGADRP CCC[NH+]1CCC([N@H+](C)C[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC000929779166 760455013 /nfs/dbraw/zinc/45/50/13/760455013.db2.gz WNFMZGLVAUHQBG-SJORKVTESA-N 2 0 353.551 3.486 20 0 FGADRP CCC[N@H+](C)C[C@@H]1CC[NH+](C[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)C2)C1 ZINC000929778424 760455375 /nfs/dbraw/zinc/45/53/75/760455375.db2.gz IWWLLDZKOLDTHH-SQNIBIBYSA-N 2 0 353.551 3.344 20 0 FGADRP C[C@H](CNC(=O)C[NH2+][C@@H](C)c1ccsc1)[NH2+][C@@H](C)c1ccsc1 ZINC000930344948 760584435 /nfs/dbraw/zinc/58/44/35/760584435.db2.gz FYJXNWFOMPZYRI-RDBSUJKOSA-N 2 0 351.541 3.316 20 0 FGADRP Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC000931172239 760794393 /nfs/dbraw/zinc/79/43/93/760794393.db2.gz IUSRAFZOUSMTKQ-LJQANCHMSA-N 2 0 361.555 3.355 20 0 FGADRP CC[C@@H]1[C@@H](C(=O)NC2CC(C[NH2+]Cc3ccccc3Cl)C2)CC[N@@H+]1C ZINC000961855705 762753327 /nfs/dbraw/zinc/75/33/27/762753327.db2.gz XIGXYDGXKIBLJM-HJRFIPHPSA-N 2 0 363.933 3.055 20 0 FGADRP C[C@@H]1[C@H](C(=O)N2CCC[C@H](C[NH2+]Cc3ccc(Cl)s3)C2)CC[N@@H+]1C ZINC001023990878 766047794 /nfs/dbraw/zinc/04/77/94/766047794.db2.gz IOHFUIIRAPISGP-IIAWOOMASA-N 2 0 369.962 3.070 20 0 FGADRP Cc1ccc(C[NH+]2CC[C@](C)(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)c(Cl)c1 ZINC001046330272 766586198 /nfs/dbraw/zinc/58/61/98/766586198.db2.gz YIYSRSIXNVHJAC-MDYRTPRTSA-N 2 0 363.933 3.069 20 0 FGADRP Cc1cc(C[NH+]2CCC[C@@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)c(C)s1 ZINC001052393594 766900436 /nfs/dbraw/zinc/90/04/36/766900436.db2.gz PBQLSDYFIZRVEJ-ATZDWAIDSA-N 2 0 363.571 3.176 20 0 FGADRP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH2+][C@@H]4CCO[C@]5(CCOC5)C4)[C@H]3C2)cc1 ZINC000359894279 210194765 /nfs/dbraw/zinc/19/47/65/210194765.db2.gz FWDOPMPJIZPLKO-MFKCLSPESA-N 2 0 370.537 3.215 20 0 FGADRP CC[N@@H+]1CC[C@@H](C[NH2+]CC2=Cc3cc(Br)ccc3OC2)C1 ZINC000102423209 257350470 /nfs/dbraw/zinc/35/04/70/257350470.db2.gz PYXXYJUVOCFPLU-ZDUSSCGKSA-N 2 0 351.288 3.156 20 0 FGADRP CN(C)c1cc[nH+]cc1C(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000248756663 257370220 /nfs/dbraw/zinc/37/02/20/257370220.db2.gz WNXHEKCSQITCGK-KDOFPFPSSA-N 2 0 358.511 3.022 20 0 FGADRP C/C(=C\c1cccc(C(F)(F)F)c1)C[NH2+][C@@H](C)CN1CC[NH+](C)CC1 ZINC000573594449 505574407 /nfs/dbraw/zinc/57/44/07/505574407.db2.gz DBKWOYQIWSXKDJ-SFKKXYGYSA-N 2 0 355.448 3.334 20 0 FGADRP CSC1(C[NH2+]C[C@H](O)Cc2ccc3ccccc3c2)CC[NH+](C)CC1 ZINC000579583858 505580795 /nfs/dbraw/zinc/58/07/95/505580795.db2.gz OUMGWKWTFZQHHW-HXUWFJFHSA-N 2 0 358.551 3.160 20 0 FGADRP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)c2ccccc2CC2CC[NH2+]CC2)C1 ZINC000567966475 505584905 /nfs/dbraw/zinc/58/49/05/505584905.db2.gz KOZNQDMFECELFH-IBGZPJMESA-N 2 0 357.542 3.079 20 0 FGADRP CC1CC[NH+](Cc2ccc(C[NH2+]CCC(=O)Nc3cccnc3)cc2)CC1 ZINC000570897404 505605533 /nfs/dbraw/zinc/60/55/33/505605533.db2.gz PCEDUQNTALKRNX-UHFFFAOYSA-N 2 0 366.509 3.432 20 0 FGADRP C[C@@H]1CN([C@H](C[NH2+][C@H]2CCC[C@H]([NH3+])C2)c2c(F)cccc2Cl)CCO1 ZINC000579734906 505610593 /nfs/dbraw/zinc/61/05/93/505610593.db2.gz ZUNGSFZUTRTIDY-LDDOYCOJSA-N 2 0 369.912 3.100 20 0 FGADRP CC(C)[N@H+](C)CC1CCN(C(=O)c2ccccc2CC2CC[NH2+]CC2)CC1 ZINC000568094833 505615613 /nfs/dbraw/zinc/61/56/13/505615613.db2.gz QHSOCRMCUAYJRA-UHFFFAOYSA-N 2 0 371.569 3.421 20 0 FGADRP O=C(CC[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1)Nc1cc(F)cc(F)c1 ZINC000570955634 505619811 /nfs/dbraw/zinc/61/98/11/505619811.db2.gz UDECTPJEDKPHPR-QGZVFWFLSA-N 2 0 373.447 3.405 20 0 FGADRP CC(C)[NH+]1CCN(c2cccc(NC(=O)CC3C[C@H]4CC[C@@H](C3)[NH2+]4)c2)CC1 ZINC000576940895 505629575 /nfs/dbraw/zinc/62/95/75/505629575.db2.gz JTBATUXCAWTCQD-CTXDPNEZSA-N 2 0 370.541 3.076 20 0 FGADRP C[NH+](C)C[C@@H](NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)c1ccc(F)cc1 ZINC000579879374 505637618 /nfs/dbraw/zinc/63/76/18/505637618.db2.gz BVSFUTVWGULGFC-YLJYHZDGSA-N 2 0 361.505 3.199 20 0 FGADRP [NH3+][C@H]1CCO[C@H](C2CC[NH+](Cc3cnn(-c4ccc(Cl)cc4)c3)CC2)C1 ZINC000573902455 505647858 /nfs/dbraw/zinc/64/78/58/505647858.db2.gz VXTSTAGVBQPCSI-ICSRJNTNSA-N 2 0 374.916 3.244 20 0 FGADRP Cc1nn(-c2cc[nH+]cc2)cc1CN(C)CCC[N@H+](C)Cc1ccco1 ZINC000571126295 505658676 /nfs/dbraw/zinc/65/86/76/505658676.db2.gz ZRTVHSQVQOZZPO-UHFFFAOYSA-N 2 0 353.470 3.123 20 0 FGADRP CC(C)[NH+]1CCC(C(=O)N2CCN(c3cc[nH+]c4ccccc43)CC2)CC1 ZINC000571174767 505672125 /nfs/dbraw/zinc/67/21/25/505672125.db2.gz VVZMFSGHDXOCOZ-UHFFFAOYSA-N 2 0 366.509 3.004 20 0 FGADRP C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000048076504 493781570 /nfs/dbraw/zinc/78/15/70/493781570.db2.gz PCSVRAMUGPBNHW-UHFFFAOYSA-N 2 0 372.488 3.483 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)NC1CC[NH+](C2CC2)CC1)c1ccsc1 ZINC000048395059 493825702 /nfs/dbraw/zinc/82/57/02/493825702.db2.gz HZKKDPMXMUPHCO-GOSISDBHSA-N 2 0 364.559 3.057 20 0 FGADRP CC[N@@H+](Cc1ccc(C(N)=O)cc1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076154979 493833244 /nfs/dbraw/zinc/83/32/44/493833244.db2.gz WRENHBRAUOMSGL-FQEVSTJZSA-N 2 0 351.494 3.130 20 0 FGADRP Ic1ccc(C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000568395133 505684744 /nfs/dbraw/zinc/68/47/44/505684744.db2.gz STUTUPYQFOCGGY-LSDHHAIUSA-N 2 0 370.278 3.113 20 0 FGADRP O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1cccc(C[NH+]2CCCC2)c1 ZINC000049976170 493889041 /nfs/dbraw/zinc/88/90/41/493889041.db2.gz CTZRTPGEFWXUEK-JOCHJYFZSA-N 2 0 363.505 3.287 20 0 FGADRP C[C@@H](CNC(=O)NC1CC[NH+](CC2CCCC2)CC1)C[NH+]1CCCCC1 ZINC000068887021 493889514 /nfs/dbraw/zinc/88/95/14/493889514.db2.gz JDUDLGRCFQHMMF-SFHVURJKSA-N 2 0 364.578 3.062 20 0 FGADRP C[C@@H](C1CC1)[N@H+](CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)C1CC1 ZINC000076675130 493948649 /nfs/dbraw/zinc/94/86/49/493948649.db2.gz AMBLRPHCMYMGMO-KRWDZBQOSA-N 2 0 355.526 3.162 20 0 FGADRP CCC[N@@H+]1CC[C@H](CNC(=O)NCC(C)(C)[NH2+][C@@H](C)c2ccccc2)C1 ZINC000069295889 493951794 /nfs/dbraw/zinc/95/17/94/493951794.db2.gz METSPRBWRLLYNA-ZWKOTPCHSA-N 2 0 360.546 3.147 20 0 FGADRP CC[N@H+](C)Cc1cccc(CNC(=O)NCC2([NH+](C)C)CCCCC2)c1 ZINC000061794948 493995356 /nfs/dbraw/zinc/99/53/56/493995356.db2.gz GEAWNIFIODXIPU-UHFFFAOYSA-N 2 0 360.546 3.202 20 0 FGADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000076983330 494002230 /nfs/dbraw/zinc/00/22/30/494002230.db2.gz FHSMCTVWENOIOT-HXUWFJFHSA-N 2 0 372.557 3.297 20 0 FGADRP C[C@H](CCc1c(F)cccc1F)[NH2+]Cc1ccncc1OCC[NH+](C)C ZINC000568440217 505694136 /nfs/dbraw/zinc/69/41/36/505694136.db2.gz PMBSFRWDAOGDDP-OAHLLOKOSA-N 2 0 363.452 3.411 20 0 FGADRP C[C@@H](CCc1c(F)cccc1F)[NH2+]Cc1ccncc1OCC[NH+](C)C ZINC000568440216 505694544 /nfs/dbraw/zinc/69/45/44/505694544.db2.gz PMBSFRWDAOGDDP-HNNXBMFYSA-N 2 0 363.452 3.411 20 0 FGADRP CC(C)[NH+](CCNC(=O)NC1CC[NH+](CC2CCCC2)CC1)C(C)C ZINC000063407933 494052463 /nfs/dbraw/zinc/05/24/63/494052463.db2.gz CPUQVSVLDUNAKM-UHFFFAOYSA-N 2 0 352.567 3.059 20 0 FGADRP C[NH+](C)[C@@H](CNC(=O)NC1CC[NH+](CC2CCCC2)CC1)c1ccccc1 ZINC000063407985 494052583 /nfs/dbraw/zinc/05/25/83/494052583.db2.gz SGQZSJQZSGRMTI-NRFANRHFSA-N 2 0 372.557 3.243 20 0 FGADRP C[C@H](c1ccc(C(F)(F)F)cc1)[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000077376727 494070079 /nfs/dbraw/zinc/07/00/79/494070079.db2.gz TXHNZDTXQMOVFW-CQSZACIVSA-N 2 0 371.447 3.156 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1CCCNC(=O)[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000063665407 494075433 /nfs/dbraw/zinc/07/54/33/494075433.db2.gz IARSAYTVLDANGD-TZIWHRDSSA-N 2 0 357.542 3.279 20 0 FGADRP CC(C)(C)[N@@H+]1CCCN(C(=O)C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000063727542 494081034 /nfs/dbraw/zinc/08/10/34/494081034.db2.gz WGOAZXFLYWQLMZ-UHFFFAOYSA-N 2 0 357.542 3.231 20 0 FGADRP CC[N@H+](C)Cc1cccc(CNC(=O)NC[C@H](C)[NH+]2CCC(C)CC2)c1 ZINC000064228623 494107616 /nfs/dbraw/zinc/10/76/16/494107616.db2.gz BBXCJBCACLJUOH-SFHVURJKSA-N 2 0 360.546 3.058 20 0 FGADRP CC[NH+](CC)Cc1cccc(CNC(=O)N(C)[C@H]2CC[N@H+](C)C[C@@H]2C)c1 ZINC000085390201 494119576 /nfs/dbraw/zinc/11/95/76/494119576.db2.gz JPYVRMBXEULFBP-PXNSSMCTSA-N 2 0 360.546 3.010 20 0 FGADRP CC[NH+](CC)Cc1ccccc1CNC(=O)N(C)[C@H]1CC[N@H+](C)C[C@@H]1C ZINC000085388349 494119868 /nfs/dbraw/zinc/11/98/68/494119868.db2.gz XXZUXGYRIKVWFV-PXNSSMCTSA-N 2 0 360.546 3.010 20 0 FGADRP O=C(C[N@@H+](Cc1ccccc1)CC1CCC1)NC1CC[NH+](C2CC2)CC1 ZINC000064515343 494129849 /nfs/dbraw/zinc/12/98/49/494129849.db2.gz WQABKKXLVJNWCE-UHFFFAOYSA-N 2 0 355.526 3.032 20 0 FGADRP C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)c2ccccc2OCC[NH+](C)C)C1 ZINC000064735794 494144378 /nfs/dbraw/zinc/14/43/78/494144378.db2.gz GEAIHOUNTJWGEZ-CEXWTWQISA-N 2 0 373.541 3.104 20 0 FGADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)NC[C@H]1CC[NH+](C(C)C)C1 ZINC000065441289 494197526 /nfs/dbraw/zinc/19/75/26/494197526.db2.gz GBHHPLHXKGTZHN-GOSISDBHSA-N 2 0 360.546 3.056 20 0 FGADRP CC1CC[NH+]([C@H](CNC(=O)Nc2ncccc2C[NH3+])c2ccccc2)CC1 ZINC000568488517 505707445 /nfs/dbraw/zinc/70/74/45/505707445.db2.gz OZNIYSYTZWCTRP-LJQANCHMSA-N 2 0 367.497 3.135 20 0 FGADRP Cc1c[nH+]ccc1N1CCC(C(=O)NC[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000072796788 494251977 /nfs/dbraw/zinc/25/19/77/494251977.db2.gz VVFBOKQSVSKOCE-OAQYLSRUSA-N 2 0 366.509 3.026 20 0 FGADRP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2ccccc2N2CC[NH+](CCC)CC2)C1 ZINC000088687623 494255132 /nfs/dbraw/zinc/25/51/32/494255132.db2.gz YOMIQINPNBVBNT-HXUWFJFHSA-N 3 0 358.574 3.040 20 0 FGADRP Cc1c[nH+]ccc1N1CCC(C(=O)Nc2ccc(C[NH+](C)C)cc2)CC1 ZINC000072863552 494270415 /nfs/dbraw/zinc/27/04/15/494270415.db2.gz OSQXYCDTLQHBGG-UHFFFAOYSA-N 2 0 352.482 3.307 20 0 FGADRP C[C@H]([NH2+]CC1CCN(c2cc[nH+]cc2)CC1)c1ccc([S@](C)=O)cc1 ZINC000089214709 494273769 /nfs/dbraw/zinc/27/37/69/494273769.db2.gz HLYWMWVLJGVMJE-IVCQMTBJSA-N 2 0 357.523 3.386 20 0 FGADRP O[C@@H](C[NH2+]CC1CC[NH+](Cc2ccccc2Cl)CC1)CC(F)(F)F ZINC000568500756 505710612 /nfs/dbraw/zinc/71/06/12/505710612.db2.gz FBRGENLFYBRSHX-OAHLLOKOSA-N 2 0 364.839 3.455 20 0 FGADRP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]CCC(=O)Nc2ccc(Br)cc2)C1 ZINC000577365046 505713989 /nfs/dbraw/zinc/71/39/89/505713989.db2.gz OPVWUEDJUADPIX-JKSUJKDBSA-N 2 0 368.319 3.240 20 0 FGADRP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1ccc(I)cc1 ZINC000044533227 494363896 /nfs/dbraw/zinc/36/38/96/494363896.db2.gz OIWIAFUWDQAIGQ-STQMWFEESA-N 2 0 358.267 3.284 20 0 FGADRP CC(C)C[NH+]1CCC(NC(=O)NCc2cccc(C[NH+]3CCCC3)c2)CC1 ZINC000079096885 494404094 /nfs/dbraw/zinc/40/40/94/494404094.db2.gz BEEJGHHFIVDENT-UHFFFAOYSA-N 2 0 372.557 3.202 20 0 FGADRP C[C@H]1Cc2ccccc2[C@H]1[NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000090038579 494431149 /nfs/dbraw/zinc/43/11/49/494431149.db2.gz SNNPHSPICPMUPZ-KKSFZXQISA-N 2 0 351.494 3.001 20 0 FGADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NCC[N@@H+]1CCC[C@@H](C)C1 ZINC000067062779 494466887 /nfs/dbraw/zinc/46/68/87/494466887.db2.gz XDTHYHROVXWWMR-GOSISDBHSA-N 2 0 360.546 3.012 20 0 FGADRP O[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]C2CCN(c3ccccc3)CC2)CC1 ZINC000090525681 494478398 /nfs/dbraw/zinc/47/83/98/494478398.db2.gz OCCANPHYLOWMAF-YADHBBJMSA-N 2 0 357.542 3.013 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)N2CCC(CC[NH+](C)C)CC2)C1 ZINC000079613317 494493117 /nfs/dbraw/zinc/49/31/17/494493117.db2.gz DLURXNIVOQVNAU-KDURUIRLSA-N 2 0 366.594 3.118 20 0 FGADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1ccccc1 ZINC000074211012 494498644 /nfs/dbraw/zinc/49/86/44/494498644.db2.gz MIDRDPISRUCCQX-VOBGVNJCSA-N 2 0 372.557 3.430 20 0 FGADRP C[NH2+]C[C@@H]1CCCN1C(=O)Nc1cccc(-c2ncc3n2CCCC3)c1 ZINC000580290968 505724585 /nfs/dbraw/zinc/72/45/85/505724585.db2.gz VELDQOIIBDOUAK-KRWDZBQOSA-N 2 0 353.470 3.102 20 0 FGADRP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)NCCCCC[NH+]1CCCCC1 ZINC000074352768 494523612 /nfs/dbraw/zinc/52/36/12/494523612.db2.gz KWYVELRKGJPVEL-IBGZPJMESA-N 2 0 352.567 3.158 20 0 FGADRP C[C@H](CNC(=O)NCc1ccccc1C[NH+]1CCCCC1)C[NH+]1CCCC1 ZINC000079925539 494551591 /nfs/dbraw/zinc/55/15/91/494551591.db2.gz SRBYECMARDDKED-LJQANCHMSA-N 2 0 372.557 3.204 20 0 FGADRP C[C@@H]1C[C@@H](NC(=O)NCC2([NH+](C)C)CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000080056160 494578218 /nfs/dbraw/zinc/57/82/18/494578218.db2.gz LNNJMSQVJDOQIO-QUCCMNQESA-N 2 0 372.557 3.213 20 0 FGADRP CC(C)[C@@H]([NH2+]Cc1ccc(CN2CC[NH+](C)CC2)cc1)c1cccnc1 ZINC000091288708 494578224 /nfs/dbraw/zinc/57/82/24/494578224.db2.gz VIMMIBFCAHXZKJ-JOCHJYFZSA-N 2 0 352.526 3.316 20 0 FGADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](c1ccc(Br)cc1)C1CC1 ZINC000091334704 494583219 /nfs/dbraw/zinc/58/32/19/494583219.db2.gz VKSFNCZJNUZRQG-RDTXWAMCSA-N 2 0 366.347 3.126 20 0 FGADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@H](c1ccc(Br)cc1)C1CC1 ZINC000091334705 494583326 /nfs/dbraw/zinc/58/33/26/494583326.db2.gz VKSFNCZJNUZRQG-KSSFIOAISA-N 2 0 366.347 3.126 20 0 FGADRP C[C@@H](C[NH2+][C@@H]1CCc2ccc(OC(F)(F)F)cc21)CN1CC[NH+](C)CC1 ZINC000121087882 494589086 /nfs/dbraw/zinc/58/90/86/494589086.db2.gz IPVIHFMUSIEKEA-KBXCAEBGSA-N 2 0 371.447 3.046 20 0 FGADRP CC(C)c1ccc(C2(O)CCC([NH2+][C@H](C)CN3CC[NH+](C)CC3)CC2)cc1 ZINC000131422833 494613812 /nfs/dbraw/zinc/61/38/12/494613812.db2.gz SUYLTXJOZCJWAR-YUVSOPLDSA-N 2 0 373.585 3.166 20 0 FGADRP Cc1ccc([C@@H](CNC(=O)NCc2ccc(C[NH+](C)C)cc2)[NH+](C)C)cc1 ZINC000067705645 494616532 /nfs/dbraw/zinc/61/65/32/494616532.db2.gz WCEUUQSSGUFZTH-OAQYLSRUSA-N 2 0 368.525 3.159 20 0 FGADRP CC(C)CN(CC[NH+](C)C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000080164833 494619991 /nfs/dbraw/zinc/61/99/91/494619991.db2.gz PCWKGWVPBMTWJP-CTNGQTDRSA-N 2 0 374.573 3.269 20 0 FGADRP CCCC[N@H+](C)C[C@@H](C)NC(=O)N[C@H](C)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000580321974 505732807 /nfs/dbraw/zinc/73/28/07/505732807.db2.gz KZKQFCMXZHGGRN-SFHLNBCPSA-N 2 0 374.573 3.317 20 0 FGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H](C)c2ccc(-n3ccnc3C)cc2)CC1 ZINC000121249933 494666141 /nfs/dbraw/zinc/66/61/41/494666141.db2.gz NXNCDFRBSGYHJW-RTBURBONSA-N 2 0 369.557 3.105 20 0 FGADRP C[C@@H]1C[NH+](CC2CC[NH+](Cc3cccc(-n4cccn4)c3)CC2)C[C@@H](C)O1 ZINC000092587032 494677567 /nfs/dbraw/zinc/67/75/67/494677567.db2.gz SENHHSOEVHIBDA-RTBURBONSA-N 2 0 368.525 3.194 20 0 FGADRP COc1ccc(C[NH+]2CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)c(OC)c1 ZINC000092586981 494677705 /nfs/dbraw/zinc/67/77/05/494677705.db2.gz GFWBUIRYPMASGE-IAGOWNOFSA-N 2 0 362.514 3.025 20 0 FGADRP COc1cccc(C[NH+]2CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)c1OC ZINC000092587325 494678052 /nfs/dbraw/zinc/67/80/52/494678052.db2.gz QBDCLMHJLXZJQI-IAGOWNOFSA-N 2 0 362.514 3.025 20 0 FGADRP CC1CC[NH+](Cc2ccccc2CNC(=O)NC[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000108549547 494735817 /nfs/dbraw/zinc/73/58/17/494735817.db2.gz YGQDLXODBHLDDR-IBGZPJMESA-N 2 0 372.557 3.060 20 0 FGADRP C[C@H]([NH2+]Cc1cccc(OCC[N@H+](C)C2CCOCC2)c1)c1cccnc1 ZINC000092745514 494736233 /nfs/dbraw/zinc/73/62/33/494736233.db2.gz FIDUBZWILOCBTP-SFHVURJKSA-N 2 0 369.509 3.422 20 0 FGADRP CC1CC[NH+]([C@@H](CNC(=O)NC[C@@H]2CCC[N@H+](C)C2)c2ccccc2)CC1 ZINC000108561908 494740911 /nfs/dbraw/zinc/74/09/11/494740911.db2.gz MPQQLANEMOYYSJ-FPOVZHCZSA-N 2 0 372.557 3.101 20 0 FGADRP Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)[C@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC000080611593 494747401 /nfs/dbraw/zinc/74/74/01/494747401.db2.gz GTWBAKDBPFSDLN-RBUKOAKNSA-N 2 0 373.566 3.357 20 0 FGADRP C[C@@H](C(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCCCCC1 ZINC000075410839 494759938 /nfs/dbraw/zinc/75/99/38/494759938.db2.gz QZYBUAZXRYITQL-PZJWPPBQSA-N 2 0 357.542 3.231 20 0 FGADRP C[C@@H](C(=O)N1CCCCC1)[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821112 494763439 /nfs/dbraw/zinc/76/34/39/494763439.db2.gz ZZTCNOVEFHJQQH-SFHVURJKSA-N 2 0 358.530 3.021 20 0 FGADRP CSC1(C[NH2+]Cc2ccc(OC[C@@H]3CCCO3)cc2)CC[NH+](C)CC1 ZINC000580367432 505741696 /nfs/dbraw/zinc/74/16/96/505741696.db2.gz VXOPNTUCEADXLA-IBGZPJMESA-N 2 0 364.555 3.161 20 0 FGADRP C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)C[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000121620281 494821576 /nfs/dbraw/zinc/82/15/76/494821576.db2.gz JTVUKNJKYLWIQR-OAHLLOKOSA-N 2 0 367.484 3.148 20 0 FGADRP CC(C)[C@@H](C[NH2+][C@@H](C)c1ccccc1OC(F)F)N1CC[NH+](C)CC1 ZINC000132337153 494859236 /nfs/dbraw/zinc/85/92/36/494859236.db2.gz NGHDXWCAKSFIGQ-DOTOQJQBSA-N 2 0 355.473 3.211 20 0 FGADRP C[C@H]([NH2+]CCCC[NH+]1CCN(Cc2ccccc2)CC1)c1nccs1 ZINC000093399275 494885320 /nfs/dbraw/zinc/88/53/20/494885320.db2.gz XAZOBVNERXNQRM-SFHVURJKSA-N 2 0 358.555 3.392 20 0 FGADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H]2CCCOc3c(C)cc(Cl)cc32)CC1 ZINC000121917180 494889782 /nfs/dbraw/zinc/88/97/82/494889782.db2.gz VKAAKHFKXCJRPY-VQIMIIECSA-N 2 0 365.949 3.478 20 0 FGADRP CCC1(CO)CC[NH+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)CC1 ZINC000093592118 494902337 /nfs/dbraw/zinc/90/23/37/494902337.db2.gz PHUIPYGKRGCLJL-UHFFFAOYSA-N 2 0 359.558 3.202 20 0 FGADRP COCC[N@H+](C)CCCC1CC[NH+]([C@H](C)C(=O)Nc2ccccc2)CC1 ZINC000122117883 494926272 /nfs/dbraw/zinc/92/62/72/494926272.db2.gz VPMXADKLFVTPRM-GOSISDBHSA-N 2 0 361.530 3.084 20 0 FGADRP O=c1[nH]c(CC[NH+]2CCC(CCC[NH+]3CCCC3)CC2)nc2ccccc21 ZINC000122148958 494931872 /nfs/dbraw/zinc/93/18/72/494931872.db2.gz XDTHNGOSFWWGON-UHFFFAOYSA-N 2 0 368.525 3.054 20 0 FGADRP C[C@@H]([NH2+]CCN1CCc2sccc2C1)c1cccc(OCC[NH+](C)C)c1 ZINC000132850264 494932764 /nfs/dbraw/zinc/93/27/64/494932764.db2.gz NLGYMYNJKBYHDB-QGZVFWFLSA-N 2 0 373.566 3.397 20 0 FGADRP COCC[N@H+](C)CCCC1CC[NH+](Cc2cccc3c2OCCO3)CC1 ZINC000122174420 494935886 /nfs/dbraw/zinc/93/58/86/494935886.db2.gz SHOYZOFXGJDHPG-UHFFFAOYSA-N 2 0 362.514 3.028 20 0 FGADRP C[C@@H]([NH2+][C@@H](CN1CC[NH+](C)CC1)c1ccccc1)c1ccccc1N(C)C ZINC000093944412 494938185 /nfs/dbraw/zinc/93/81/85/494938185.db2.gz XRYHWHBHTAWUSO-KNQAVFIVSA-N 2 0 366.553 3.392 20 0 FGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H]2CCCOc3cc4c(cc32)CCC4)CC1 ZINC000122252552 494947344 /nfs/dbraw/zinc/94/73/44/494947344.db2.gz AMLGTIJJGJGKBH-GCJKJVERSA-N 2 0 371.569 3.252 20 0 FGADRP Cc1cccc([C@@H]2CCC[N@H+]2CC(=O)NC2CC[NH+](C(C)C)CC2)c1C ZINC000122257345 494948282 /nfs/dbraw/zinc/94/82/82/494948282.db2.gz BRZAGKHCBGBQKW-NRFANRHFSA-N 2 0 357.542 3.429 20 0 FGADRP Cc1cc(Cl)cc2c1OCCC[C@H]2[NH2+]C[C@@H](C)N1CC[NH+](C)CC1 ZINC000122276000 494950876 /nfs/dbraw/zinc/95/08/76/494950876.db2.gz NAMMKOADGXOCNH-CRAIPNDOSA-N 2 0 351.922 3.088 20 0 FGADRP C[C@H]1CCCN(CC[NH2+]Cc2ccccc2N(C)C2CC[NH+](C)CC2)C1 ZINC000133008606 494956001 /nfs/dbraw/zinc/95/60/01/494956001.db2.gz ZSISWSGCUZGSQQ-IBGZPJMESA-N 2 0 358.574 3.039 20 0 FGADRP C[C@H]([NH2+]Cc1ccccc1OCC[NH+](C)C)c1ccc2c(c1)OCCO2 ZINC000122348775 494962416 /nfs/dbraw/zinc/96/24/16/494962416.db2.gz YTEIRNICTDYIJJ-INIZCTEOSA-N 2 0 356.466 3.249 20 0 FGADRP CC[NH+]1CCN(c2ccc(C[NH2+]C[C@H](C)c3ccc(F)cc3)cn2)CC1 ZINC000127600879 494968271 /nfs/dbraw/zinc/96/82/71/494968271.db2.gz PYKBATVRIFECTJ-KRWDZBQOSA-N 2 0 356.489 3.256 20 0 FGADRP C[NH+](C)CCC1CC[NH+](C[C@H](O)Cc2ccccc2C(F)(F)F)CC1 ZINC000133459881 495016450 /nfs/dbraw/zinc/01/64/50/495016450.db2.gz ROEKQFFYKXUYKO-QGZVFWFLSA-N 2 0 358.448 3.273 20 0 FGADRP Cc1ccc(OC(F)F)c([C@H](C)[NH2+]CCCN2CCC[N@H+](C)CC2)c1 ZINC000128294336 495074665 /nfs/dbraw/zinc/07/46/65/495074665.db2.gz RDTVCFYECKYJJO-INIZCTEOSA-N 2 0 355.473 3.275 20 0 FGADRP C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000577591014 505759605 /nfs/dbraw/zinc/75/96/05/505759605.db2.gz CZTXNPROKMESRQ-UHFFFAOYSA-N 2 0 370.472 3.067 20 0 FGADRP COc1ccc(C)cc1NC(=O)[C@@H](C)[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123164653 495089934 /nfs/dbraw/zinc/08/99/34/495089934.db2.gz MBEZPLASORXXCH-QGZVFWFLSA-N 2 0 361.530 3.384 20 0 FGADRP [NH3+]C[C@@H](Cc1ccccc1)[C@H]1CCCCN1C(=O)C1CC[NH+](C2CC2)CC1 ZINC000577601435 505761584 /nfs/dbraw/zinc/76/15/84/505761584.db2.gz IYBGCRYQTHGJTN-IFMALSPDSA-N 2 0 369.553 3.060 20 0 FGADRP CCCC[NH+]1CCC(NC(=O)NC[C@@H](c2ccc(C)cc2)[NH+](C)C)CC1 ZINC000102005293 495114427 /nfs/dbraw/zinc/11/44/27/495114427.db2.gz DUVPYIPIKHFCNL-FQEVSTJZSA-N 2 0 360.546 3.161 20 0 FGADRP C[NH+](C)CCCC1CC[NH+](CCC(=O)N2CCc3sccc3C2)CC1 ZINC000123345377 495118264 /nfs/dbraw/zinc/11/82/64/495118264.db2.gz LIHJYQVIFJDBQI-UHFFFAOYSA-N 2 0 363.571 3.077 20 0 FGADRP Cc1ccc(CN(C(=O)C[NH+]2CCC(CCC[NH+](C)C)CC2)C2CC2)o1 ZINC000123355478 495119561 /nfs/dbraw/zinc/11/95/61/495119561.db2.gz CTEVRTHFCJGRSC-UHFFFAOYSA-N 2 0 361.530 3.133 20 0 FGADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)NCCCCC[NH+]2CCCCC2)C1 ZINC000111857207 495121624 /nfs/dbraw/zinc/12/16/24/495121624.db2.gz ALXQTITVEDWVHT-LJQANCHMSA-N 2 0 352.567 3.062 20 0 FGADRP O=C(NC1CC[NH+](C2CCCC2)CC1)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000128839116 495157711 /nfs/dbraw/zinc/15/77/11/495157711.db2.gz FQAWVKAQLGHLKE-UWJYYQICSA-N 2 0 374.573 3.052 20 0 FGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccccc2-n2cccn2)[C@H](C)C1 ZINC000119644907 495209350 /nfs/dbraw/zinc/20/93/50/495209350.db2.gz PKAMZAHIRJPZKK-UYAOXDASSA-N 2 0 356.514 3.099 20 0 FGADRP CC[N@H+](C)Cc1cccc(C[NH2+][C@H](C)Cn2cc(Br)cn2)c1 ZINC000123943887 495210327 /nfs/dbraw/zinc/21/03/27/495210327.db2.gz RDPJABKEFHDWLG-CQSZACIVSA-N 2 0 365.319 3.276 20 0 FGADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)Nc1ccccc1-c1ccccc1 ZINC000119726587 495227757 /nfs/dbraw/zinc/22/77/57/495227757.db2.gz WRFSPVLYWLVTSG-UHFFFAOYSA-N 2 0 354.498 3.311 20 0 FGADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)Nc1ccc2c(c1)Cc1ccccc1-2 ZINC000119765811 495235533 /nfs/dbraw/zinc/23/55/33/495235533.db2.gz BGNCAGLISZPAMG-UHFFFAOYSA-N 2 0 366.509 3.215 20 0 FGADRP C[C@@H]1CCN(C(=O)Nc2cccc(-c3nccn3C)c2)C[C@H]1n1ccnc1 ZINC000129836194 495302674 /nfs/dbraw/zinc/30/26/74/495302674.db2.gz WGWJNTSUDKDUSJ-CRAIPNDOSA-N 2 0 364.453 3.399 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NC2CC[NH+](C3CCCCC3)CC2)[C@H](C)C1 ZINC000129859582 495306379 /nfs/dbraw/zinc/30/63/79/495306379.db2.gz OLZQDQUVJBZPPC-XLIONFOSSA-N 2 0 364.578 3.155 20 0 FGADRP CC(C)[NH+]1CCC(NC(=O)NCC(C)(C)[NH2+][C@@H](C)c2ccccc2)CC1 ZINC000113579179 495316707 /nfs/dbraw/zinc/31/67/07/495316707.db2.gz POBUVJQILVTQIW-KRWDZBQOSA-N 2 0 360.546 3.288 20 0 FGADRP CN(CC1(C)CC[NH+](Cc2ccccc2)CC1)C(=O)NC1CC[NH+](C)CC1 ZINC000105079707 495334173 /nfs/dbraw/zinc/33/41/73/495334173.db2.gz DPJWROBXVVLUMV-UHFFFAOYSA-N 2 0 372.557 3.024 20 0 FGADRP Cc1nc2c(s1)[C@H]([NH2+]CC1(N3CCCCC3)CC[NH+](C)CC1)CCC2 ZINC000124739847 495335806 /nfs/dbraw/zinc/33/58/06/495335806.db2.gz KYCIYMBTEXRLLA-QGZVFWFLSA-N 2 0 362.587 3.369 20 0 FGADRP C[C@H]([NH2+]Cc1ccc(-n2cncn2)cc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000124752593 495337867 /nfs/dbraw/zinc/33/78/67/495337867.db2.gz KXMRMGPBARMGSA-KRWDZBQOSA-N 2 0 365.481 3.059 20 0 FGADRP C[N@@H+]1CCCN(CCC[NH2+]Cc2cccc(OCc3ccccc3)c2)CC1 ZINC000105476732 495365415 /nfs/dbraw/zinc/36/54/15/495365415.db2.gz OQZKZGBREWEQRU-UHFFFAOYSA-N 2 0 367.537 3.383 20 0 FGADRP OC1CC[NH+](Cc2ccc(C[NH2+]CC3=Cc4ccccc4OC3)cc2)CC1 ZINC000105495453 495366585 /nfs/dbraw/zinc/36/65/85/495366585.db2.gz FGAHJEPZBUPDHA-UHFFFAOYSA-N 2 0 364.489 3.209 20 0 FGADRP CC(C)(C)[N@@H+]1CCCN(C(=O)N[C@H](C[NH3+])c2ccc3ccccc3c2)CC1 ZINC000580533177 505780775 /nfs/dbraw/zinc/78/07/75/505780775.db2.gz NMMNFWSVSXSCMG-HXUWFJFHSA-N 2 0 368.525 3.355 20 0 FGADRP O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000106513835 495459537 /nfs/dbraw/zinc/45/95/37/495459537.db2.gz ZUBJBAJQAGEWLB-TZIWHRDSSA-N 2 0 370.541 3.140 20 0 FGADRP O=C(C[C@H]1CC[NH2+]C1)N1CC[N@H+](Cc2ccccc2)C2(CCCCC2)C1 ZINC000130880544 495460463 /nfs/dbraw/zinc/46/04/63/495460463.db2.gz GXLRZFMDVNLEQG-HXUWFJFHSA-N 2 0 355.526 3.033 20 0 FGADRP C[C@H](C[NH2+][C@@H](C)c1ccc(Br)s1)CN1CC[NH+](C)CC1 ZINC000120851025 495470959 /nfs/dbraw/zinc/47/09/59/495470959.db2.gz RRYCPNYMLRVSAX-OLZOCXBDSA-N 2 0 360.365 3.045 20 0 FGADRP C[C@@H](C[NH2+][C@H]1CCCOc2c(Cl)cccc21)CN1CC[NH+](C)CC1 ZINC000120848621 495471430 /nfs/dbraw/zinc/47/14/30/495471430.db2.gz YGQMDCVNAYKGMX-YJBOKZPZSA-N 2 0 351.922 3.027 20 0 FGADRP CC[N@@H+]1CCC[C@@H](CNC(=O)NC2CCC([NH+]3CCC(C)CC3)CC2)C1 ZINC000125620251 495472565 /nfs/dbraw/zinc/47/25/65/495472565.db2.gz KPIPFJHJFHXLFJ-HDYDNRTBSA-N 2 0 364.578 3.061 20 0 FGADRP CC1(C)CC([NH2+]Cc2c[nH]nc2-c2ccc3c(c2)OCCO3)CC(C)(C)[NH2+]1 ZINC000120945354 495490150 /nfs/dbraw/zinc/49/01/50/495490150.db2.gz IXPAAORTLMQURD-UHFFFAOYSA-N 2 0 370.497 3.247 20 0 FGADRP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3ccc(Cl)c4cccnc34)C2)CC1 ZINC000107368158 495525983 /nfs/dbraw/zinc/52/59/83/495525983.db2.gz BHSAIHKHPZIDBZ-KRWDZBQOSA-N 2 0 358.917 3.100 20 0 FGADRP C[C@H](NC(=O)NCc1ccc(C[NH+](C)C)cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182374048 495536742 /nfs/dbraw/zinc/53/67/42/495536742.db2.gz MHUNPQIFYCLXTF-FXAWDEMLSA-N 2 0 372.557 3.200 20 0 FGADRP C[C@@H](NC(=O)NCc1ccc(C[NH+](C)C)cc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182374108 495537355 /nfs/dbraw/zinc/53/73/55/495537355.db2.gz MHUNPQIFYCLXTF-XLIONFOSSA-N 2 0 372.557 3.200 20 0 FGADRP CCCC[NH+]1CCC(NC(=O)NCCC[N@H+](C)Cc2ccccc2)CC1 ZINC000158598835 495547222 /nfs/dbraw/zinc/54/72/22/495547222.db2.gz RKKZLBJTKHOVOA-UHFFFAOYSA-N 2 0 360.546 3.072 20 0 FGADRP C[C@H]([NH2+]C(C)(C)CNC(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1)c1ccccc1 ZINC000176210994 495548304 /nfs/dbraw/zinc/54/83/04/495548304.db2.gz BQKWBNHHQPMSSM-WDSOQIARSA-N 2 0 360.546 3.288 20 0 FGADRP CC[NH+]1CCN(CCC[NH2+][C@H](C)c2cc(C)ccc2OC(F)F)CC1 ZINC000154230989 495551757 /nfs/dbraw/zinc/55/17/57/495551757.db2.gz KHNOUYJOJWREEX-MRXNPFEDSA-N 2 0 355.473 3.275 20 0 FGADRP CC[NH+]1CCN(CCC[NH2+][C@H]2CCc3cc(Br)ccc32)CC1 ZINC000154233481 495552248 /nfs/dbraw/zinc/55/22/48/495552248.db2.gz QUUMWEPQWBYIES-SFHVURJKSA-N 2 0 366.347 3.054 20 0 FGADRP CCCC[NH+]1CCC(NC(=O)NCCCC[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000158665731 495562270 /nfs/dbraw/zinc/56/22/70/495562270.db2.gz UVDSLDFJEMWKIC-GOSISDBHSA-N 2 0 352.567 3.062 20 0 FGADRP C[C@@H]1C[N@@H+](CCC2CC[NH+](C[C@H](O)CCc3ccccc3)CC2)C[C@H](C)O1 ZINC000182448255 495568903 /nfs/dbraw/zinc/56/89/03/495568903.db2.gz JZLOWUMBJZQOAY-ZRCGQRJVSA-N 2 0 374.569 3.191 20 0 FGADRP Cc1ccc(S(=O)(=O)C[C@H](C)[NH2+]CCCCC[NH+]2CCCCC2)cc1 ZINC000185443016 495578485 /nfs/dbraw/zinc/57/84/85/495578485.db2.gz ROZWXGZXZFDMOV-IBGZPJMESA-N 2 0 366.571 3.403 20 0 FGADRP CC(C)[C@@H]1CCCN(C(=O)[C@@H]([NH3+])Cc2cn(Cc3ccccc3)cn2)CC1 ZINC000158741566 495579708 /nfs/dbraw/zinc/57/97/08/495579708.db2.gz GYSLMCFODSRPBK-CTNGQTDRSA-N 2 0 368.525 3.086 20 0 FGADRP COc1ccc(C[NH+]2CCC(C[NH2+][C@H](C)CCn3cccn3)CC2)cc1 ZINC000158772500 495586168 /nfs/dbraw/zinc/58/61/68/495586168.db2.gz IISPBNNIDPHAOK-GOSISDBHSA-N 2 0 356.514 3.172 20 0 FGADRP CC(C)(NC(=O)CN(Cc1ccccc1)Cc1ccccc1)c1ncc[nH]1 ZINC000571691951 505791670 /nfs/dbraw/zinc/79/16/70/505791670.db2.gz VCAQZMGHAQMLPX-UHFFFAOYSA-N 2 0 362.477 3.463 20 0 FGADRP CCC[NH+]1CCC(CNC(=O)N[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)CC1 ZINC000182575389 495622640 /nfs/dbraw/zinc/62/26/40/495622640.db2.gz PTWXBUUHRQSWDT-HKUYNNGSSA-N 2 0 364.578 3.061 20 0 FGADRP Cc1ccc(OCCC[NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)cc1C ZINC000182611526 495636481 /nfs/dbraw/zinc/63/64/81/495636481.db2.gz PYXZSCUBCMQWIZ-CBQGHPETSA-N 2 0 371.569 3.315 20 0 FGADRP C[NH+](C)CCCC1CCN(C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)CC1 ZINC000179581241 495648387 /nfs/dbraw/zinc/64/83/87/495648387.db2.gz IIAPHRFXRSLOIY-SFTDATJTSA-N 2 0 372.557 3.195 20 0 FGADRP CCCC[N@H+](C)CC1CCN(C(=O)NCC[C@H](C)[NH+]2CCCCC2)CC1 ZINC000182690381 495664731 /nfs/dbraw/zinc/66/47/31/495664731.db2.gz FDOKNYURWORPRV-IBGZPJMESA-N 2 0 366.594 3.404 20 0 FGADRP C[C@H]1CCc2c(F)cccc2[C@H]1[NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000159128913 495665152 /nfs/dbraw/zinc/66/51/52/495665152.db2.gz SYBQUUUWMQEYQU-AOMKIAJQSA-N 2 0 368.500 3.386 20 0 FGADRP C[C@@H](CCNC(=O)N1CCC[N@H+](Cc2ccccc2)CC1)[NH+]1CCCCC1 ZINC000182709487 495672504 /nfs/dbraw/zinc/67/25/04/495672504.db2.gz IFVPFCABORCSOT-FQEVSTJZSA-N 2 0 372.557 3.168 20 0 FGADRP CC[C@@H]1[C@H](C)CC[N@@H+]1CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000185674065 495674246 /nfs/dbraw/zinc/67/42/46/495674246.db2.gz NHUFSAYUFYLADB-WIYYLYMNSA-N 2 0 357.542 3.196 20 0 FGADRP CC(C)[C@H](Cc1ccc(F)cc1)[NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000159169498 495675185 /nfs/dbraw/zinc/67/51/85/495675185.db2.gz XQORXJXAWGDZGJ-NRFANRHFSA-N 2 0 370.516 3.329 20 0 FGADRP C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)NC[C@@H]2CCC[NH+](C)C2)c1 ZINC000170979841 495675540 /nfs/dbraw/zinc/67/55/40/495675540.db2.gz AISMWVYUOGWPGJ-NRFANRHFSA-N 2 0 365.521 3.390 20 0 FGADRP CCCN(C(=O)NC1CC[NH+](C)CC1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000171003263 495684360 /nfs/dbraw/zinc/68/43/60/495684360.db2.gz GEVQVXXZGJXEGX-NRFANRHFSA-N 2 0 372.557 3.167 20 0 FGADRP Cc1ccc(C[C@H]([NH2+]Cc2ccnc(N3CC[NH+](C)CC3)c2)C2CC2)cc1 ZINC000159217680 495685919 /nfs/dbraw/zinc/68/59/19/495685919.db2.gz SJBLUCYGGQOKDR-QFIPXVFZSA-N 2 0 364.537 3.253 20 0 FGADRP C[C@@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1ccc(Br)s1 ZINC000150958819 495694219 /nfs/dbraw/zinc/69/42/19/495694219.db2.gz TWNWQEDXIBONHY-GFCCVEGCSA-N 2 0 360.365 3.187 20 0 FGADRP C[NH+](C)CCNC(=O)c1cccc(C[NH2+][C@H]2CCCc3cc(F)ccc32)c1 ZINC000182782294 495700678 /nfs/dbraw/zinc/70/06/78/495700678.db2.gz CYULAUIJZPVBMD-NRFANRHFSA-N 2 0 369.484 3.284 20 0 FGADRP CC[NH+](CC)CCCNC(=O)C1CC[NH+]([C@@H](C)c2ccccc2F)CC1 ZINC000151001230 495707470 /nfs/dbraw/zinc/70/74/70/495707470.db2.gz GBDUSEXJUJMUSQ-KRWDZBQOSA-N 2 0 363.521 3.447 20 0 FGADRP CC[NH+]1CCC(CC[NH2+]Cc2ccccc2N(C)C2CC[NH+](C)CC2)CC1 ZINC000151004349 495709385 /nfs/dbraw/zinc/70/93/85/495709385.db2.gz VFYUTCGUHGURGK-UHFFFAOYSA-N 3 0 372.601 3.429 20 0 FGADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@@H](C)[C@@H]2CCC[NH+](C3CCC3)C2)C1 ZINC000182853329 495728928 /nfs/dbraw/zinc/72/89/28/495728928.db2.gz UDFWIQALGNLCOQ-GBESFXJTSA-N 2 0 364.578 3.013 20 0 FGADRP CN(c1ccccc1C[NH2+]C[C@@]1(C)CCCC[C@@H]1O)C1CC[NH+](C)CC1 ZINC000151075409 495730265 /nfs/dbraw/zinc/73/02/65/495730265.db2.gz IDWVVDGRVDYMIP-FCHUYYIVSA-N 2 0 359.558 3.248 20 0 FGADRP C[C@H](NC(=O)N1CCC(CC[NH+](C)C)CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182937340 495765238 /nfs/dbraw/zinc/76/52/38/495765238.db2.gz XUOJHYFMARBGIZ-HKUYNNGSSA-N 2 0 364.578 3.013 20 0 FGADRP COc1ccccc1NC(=O)CN(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000173977065 495771605 /nfs/dbraw/zinc/77/16/05/495771605.db2.gz WJXQPOJADSFCTJ-LJQANCHMSA-N 2 0 367.493 3.088 20 0 FGADRP Cc1nc(Cc2ccccc2)sc1[C@@H](C)[NH2+][C@@H](C)CN1CC[NH+](C)CC1 ZINC000155037893 495811866 /nfs/dbraw/zinc/81/18/66/495811866.db2.gz OWMMWFQUDJUTMD-DLBZAZTESA-N 2 0 372.582 3.329 20 0 FGADRP C[C@@H]1C[NH+](CC2CC[NH+](Cc3ccc(-n4cccn4)cc3)CC2)C[C@@H](C)O1 ZINC000171303657 495812096 /nfs/dbraw/zinc/81/20/96/495812096.db2.gz JUSINGJLQRPJSB-RTBURBONSA-N 2 0 368.525 3.194 20 0 FGADRP COc1cc(-c2ccccc2)ccc1C[NH2+][C@@H](C)CN1CC[NH+](C)CC1 ZINC000183059623 495818041 /nfs/dbraw/zinc/81/80/41/495818041.db2.gz YQALDFPZDVLIDL-SFHVURJKSA-N 2 0 353.510 3.088 20 0 FGADRP CCOc1ccc([C@@H](CC)[NH2+][C@H](C)CN2CC[NH+](C)CC2)cc1OCC ZINC000155103005 495837464 /nfs/dbraw/zinc/83/74/64/495837464.db2.gz AACDTZUKPXDLJK-IEBWSBKVSA-N 2 0 363.546 3.161 20 0 FGADRP COc1ccc(C[NH+]2CCC(C[NH2+][C@H](c3nccn3C)C3CC3)CC2)cc1 ZINC000183261108 495904884 /nfs/dbraw/zinc/90/48/84/495904884.db2.gz COHKYNBWDJGSOA-NRFANRHFSA-N 2 0 368.525 3.382 20 0 FGADRP CCN(CC)C(=O)[C@@H](C)N(C)C[C@@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000580677074 505811418 /nfs/dbraw/zinc/81/14/18/505811418.db2.gz OAQSQQPHOQRUCH-SJORKVTESA-N 2 0 351.560 3.067 20 0 FGADRP C[C@@H]1C[NH+](CCC2CC[NH+](Cc3cc(O)cc(F)c3)CC2)C[C@@H](C)O1 ZINC000186259637 495917158 /nfs/dbraw/zinc/91/71/58/495917158.db2.gz BPIWCKJMEOWPSC-HZPDHXFCSA-N 2 0 350.478 3.243 20 0 FGADRP C[C@H]1C[C@H](N(C)C(=O)NCC2CC[NH+](Cc3ccccc3)CC2)CC[N@@H+]1C ZINC000174345190 495920053 /nfs/dbraw/zinc/92/00/53/495920053.db2.gz LLPSLASGOQCJIF-GHTZIAJQSA-N 2 0 372.557 3.023 20 0 FGADRP Cn1ccnc1[C@H]([NH2+]CCc1ccc(OCC[NH+]2CCCC2)cc1)C1CC1 ZINC000183368483 495949943 /nfs/dbraw/zinc/94/99/43/495949943.db2.gz FEWFVEDHZKKCGV-OAQYLSRUSA-N 2 0 368.525 3.178 20 0 FGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H]2CCc3[nH]c4ccc(C)cc4c3C2)CC1 ZINC000180441299 495997569 /nfs/dbraw/zinc/99/75/69/495997569.db2.gz VBNDAEBECIBRTA-MOPGFXCFSA-N 2 0 368.569 3.197 20 0 FGADRP CCOc1ccc(Cl)cc1[C@@H](C)[NH2+]C[C@@H](C)N1CC[NH+](CC)CC1 ZINC000155624473 496017291 /nfs/dbraw/zinc/01/72/91/496017291.db2.gz SIDROLQHOWLYAP-HZPDHXFCSA-N 2 0 353.938 3.415 20 0 FGADRP C[C@@H](C(=O)Nc1ccccc1NC1CC[NH+](C)CC1)[NH+]1CCCCCC1 ZINC000155663158 496028768 /nfs/dbraw/zinc/02/87/68/496028768.db2.gz CPYVWCBFEZFJOQ-KRWDZBQOSA-N 2 0 358.530 3.396 20 0 FGADRP CC[C@H]([NH2+]C[C@H](C)N1CC[NH+](CC)CC1)c1ccccc1OC(F)F ZINC000155695689 496038282 /nfs/dbraw/zinc/03/82/82/496038282.db2.gz FZDVVUYULWVRPA-RDJZCZTQSA-N 2 0 355.473 3.355 20 0 FGADRP Cc1ccc(OC[C@@H](O)C[NH2+]Cc2c(Cl)cccc2-n2ccnc2)cc1 ZINC000580710014 505819841 /nfs/dbraw/zinc/81/98/41/505819841.db2.gz KTLLZUHOWUUCGR-INIZCTEOSA-N 2 0 371.868 3.364 20 0 FGADRP C[NH+]1CCN(c2ncccc2C[NH2+]CC2CCC(C(F)(F)F)CC2)CC1 ZINC000186607792 496069699 /nfs/dbraw/zinc/06/96/99/496069699.db2.gz GYLQQOMJEOQXLF-UHFFFAOYSA-N 2 0 370.463 3.292 20 0 FGADRP Cc1ncsc1CC[NH+]1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000177484462 496080752 /nfs/dbraw/zinc/08/07/52/496080752.db2.gz WQDMEWOUKGIANK-IYBDPMFKSA-N 2 0 351.560 3.205 20 0 FGADRP O=C(C[NH+]1C[C@H]2CCCC[C@@H]2C1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000177513862 496093174 /nfs/dbraw/zinc/09/31/74/496093174.db2.gz LSYYOHQDOJVLSI-NHCUHLMSSA-N 2 0 355.526 3.021 20 0 FGADRP CC[NH+](CC)CCOc1ccc(C(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)cc1 ZINC000177542155 496104996 /nfs/dbraw/zinc/10/49/96/496104996.db2.gz MJVJIMPTIYZTSF-OALUTQOASA-N 2 0 361.530 3.010 20 0 FGADRP Cc1ccc(NC(=O)[C@@H](C)[NH+]2[C@@H](C)CC[C@@H]2C)cc1NC(=O)CC[NH+](C)C ZINC000183838582 496132266 /nfs/dbraw/zinc/13/22/66/496132266.db2.gz DYKYPCJYGJYYGY-YESZJQIVSA-N 2 0 374.529 3.085 20 0 FGADRP C[C@@H]1CCc2c(F)cccc2[C@H]1[NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000177825726 496213332 /nfs/dbraw/zinc/21/33/32/496213332.db2.gz BMGPGBGFZFZVLW-ZHRRBRCNSA-N 2 0 368.500 3.386 20 0 FGADRP CC1CC[NH+](C2CCC(NC(=O)N(C)[C@@H]3CC[N@H+](C)[C@H](C)C3)CC2)CC1 ZINC000152681763 496224135 /nfs/dbraw/zinc/22/41/35/496224135.db2.gz UVSZMWGZJIXJGP-YNIZLOQISA-N 2 0 364.578 3.154 20 0 FGADRP CC1(C)Cc2cccc(C[NH2+]Cc3ccccc3C[N@@H+]3CC[C@H](O)C3)c2O1 ZINC000180994761 496233871 /nfs/dbraw/zinc/23/38/71/496233871.db2.gz RKCASAOZNNPUDE-NRFANRHFSA-N 2 0 366.505 3.257 20 0 FGADRP C[NH+](C)CCNC(=O)C1CC[NH+](CCCc2cccc3ccccc32)CC1 ZINC000172416987 496289885 /nfs/dbraw/zinc/28/98/85/496289885.db2.gz YWQUINPLIAQZRA-UHFFFAOYSA-N 2 0 367.537 3.162 20 0 FGADRP COc1c(Br)cccc1C[NH2+]C[C@@H](C)Cn1ccnc1C ZINC000187204805 496338030 /nfs/dbraw/zinc/33/80/30/496338030.db2.gz OABHPNDEKYIWHI-GFCCVEGCSA-N 2 0 352.276 3.389 20 0 FGADRP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000181294812 496343809 /nfs/dbraw/zinc/34/38/09/496343809.db2.gz DUXVMTUOXQDGQM-QGZVFWFLSA-N 2 0 360.546 3.069 20 0 FGADRP COc1cc([C@@H](C)[NH2+]Cc2ccc(CN3CC[NH+](C)CC3)cc2)ccc1F ZINC000153080812 496347056 /nfs/dbraw/zinc/34/70/56/496347056.db2.gz NIAYNGAEPQZUPS-QGZVFWFLSA-N 2 0 371.500 3.433 20 0 FGADRP C[C@@H]1C[NH+](CCCC[NH2+]Cc2cc(O)ccc2Br)C[C@@H](C)O1 ZINC000178162640 496352479 /nfs/dbraw/zinc/35/24/79/496352479.db2.gz KCYGDGPMQPABJF-ZIAGYGMSSA-N 2 0 371.319 3.134 20 0 FGADRP CN(C(=O)c1cccc(C[NH+](C)Cc2ccccc2)c1)[C@H]1CCC[N@H+](C)C1 ZINC000172749542 496415116 /nfs/dbraw/zinc/41/51/16/496415116.db2.gz MLVBDLNIHYSUML-QFIPXVFZSA-N 2 0 365.521 3.485 20 0 FGADRP C[C@H](NC(=O)CN1CCC[C@H]([NH+]2CCCC2)CC1)c1ccc(Cl)cc1 ZINC000157249351 496437442 /nfs/dbraw/zinc/43/74/42/496437442.db2.gz PBHPZMYBDRWBID-LPHOPBHVSA-N 2 0 363.933 3.468 20 0 FGADRP C[C@@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]CCC[NH+]1CCCC1 ZINC000178413819 496446538 /nfs/dbraw/zinc/44/65/38/496446538.db2.gz OTTRGKYVYDEIGB-INIZCTEOSA-N 2 0 351.922 3.153 20 0 FGADRP CC[NH+](CC)[C@H](C(=O)NC[C@@H]([NH3+])C(C)C)c1cccc(C(F)(F)F)c1 ZINC000157332761 496455764 /nfs/dbraw/zinc/45/57/64/496455764.db2.gz YHBFTQFETCEHAJ-CVEARBPZSA-N 2 0 359.436 3.188 20 0 FGADRP C[C@@H]([NH2+][C@@H](C)C1CCCC1)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000184654840 496481079 /nfs/dbraw/zinc/48/10/79/496481079.db2.gz SUNVPILBESMJIK-ZWKOTPCHSA-N 2 0 357.542 3.324 20 0 FGADRP Cc1ccc(C)c(C[NH+]2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)c1 ZINC000157496624 496488369 /nfs/dbraw/zinc/48/83/69/496488369.db2.gz HKBLEYINBBSWKY-UHFFFAOYSA-N 2 0 359.558 3.219 20 0 FGADRP CC[N@@H+]1CC[C@H](C[NH2+]C2CCN(Cc3c(F)cccc3Cl)CC2)C1 ZINC000163311933 496496239 /nfs/dbraw/zinc/49/62/39/496496239.db2.gz OGCZRAAFLSWRBJ-OAHLLOKOSA-N 2 0 353.913 3.375 20 0 FGADRP C[C@H](CCNC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)[NH+]1CCCCC1 ZINC000184750354 496517443 /nfs/dbraw/zinc/51/74/43/496517443.db2.gz YHJXNNTXYHNOLE-LJQANCHMSA-N 2 0 372.557 3.346 20 0 FGADRP Cc1ccccc1C[NH+]1CCC(NC(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000175730104 496519224 /nfs/dbraw/zinc/51/92/24/496519224.db2.gz ATHQMKGHXVMGSW-LEWJYISDSA-N 2 0 372.557 3.131 20 0 FGADRP C[C@@H](NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1)C(C)(C)C[NH+](C)C ZINC000173056062 496535503 /nfs/dbraw/zinc/53/55/03/496535503.db2.gz RARLHVRUCOGHCB-SJLPKXTDSA-N 2 0 363.521 3.130 20 0 FGADRP CC(C)CC[NH+]1CCC(C[NH2+][C@H](C)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC000163601347 496537429 /nfs/dbraw/zinc/53/74/29/496537429.db2.gz WLSUHSBOGMTSKE-QGZVFWFLSA-N 2 0 366.571 3.499 20 0 FGADRP C[C@@H](C(=O)NC1CC[NH+](CCc2ccccc2)CC1)[C@@H]([NH3+])c1ccccc1 ZINC000178688574 496542434 /nfs/dbraw/zinc/54/24/34/496542434.db2.gz DGDIAPSDFQPGGB-XMSQKQJNSA-N 2 0 365.521 3.146 20 0 FGADRP COc1ccc([C@@H](C)[NH2+]C[C@H](C)Cn2ccnc2C)cc1Cn1cccn1 ZINC000178704885 496546222 /nfs/dbraw/zinc/54/62/22/496546222.db2.gz XFPPTUUOAKAOHX-DLBZAZTESA-N 2 0 367.497 3.432 20 0 FGADRP Cc1cccc(C[NH+]2CCC(NC(=O)[C@H](C)[C@@H]([NH3+])c3ccccc3)CC2)c1 ZINC000164544189 496617626 /nfs/dbraw/zinc/61/76/26/496617626.db2.gz UQQWEMIAPCWMOI-XMSQKQJNSA-N 2 0 365.521 3.412 20 0 FGADRP C[C@@H]1C[C@H](NC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)C[N@@H+]1C1CC1 ZINC000158159698 496639733 /nfs/dbraw/zinc/63/97/33/496639733.db2.gz DOJPUTPRDRBYGW-MJGOQNOKSA-N 2 0 355.526 3.030 20 0 FGADRP C[C@H]([NH2+]CCC(=O)Nc1ccccc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000164946595 496641294 /nfs/dbraw/zinc/64/12/94/496641294.db2.gz KSHDMUNSYLPNJO-KRWDZBQOSA-N 2 0 355.482 3.306 20 0 FGADRP C[C@H]([NH2+]CCCC[NH+]1CCC(C)CC1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000158182818 496644828 /nfs/dbraw/zinc/64/48/28/496644828.db2.gz JMBXYGQNJOWQDD-INIZCTEOSA-N 2 0 370.534 3.392 20 0 FGADRP COc1ccc(Cl)cc1C1(C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)CCOCC1 ZINC000154067493 496672526 /nfs/dbraw/zinc/67/25/26/496672526.db2.gz FAVWRAXRJDCPAT-WBVHZDCISA-N 2 0 366.933 3.469 20 0 FGADRP CCN1CC[NH+](CCCC[NH2+][C@H](C[C@H]2CCOC2)c2ccccc2)CC1 ZINC000166147543 496678207 /nfs/dbraw/zinc/67/82/07/496678207.db2.gz NLBFGUNKTLZAHL-IFMALSPDSA-N 2 0 359.558 3.162 20 0 FGADRP O[C@@H](Cc1ccccc1C(F)(F)F)C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000154118272 496689008 /nfs/dbraw/zinc/68/90/08/496689008.db2.gz OFHHCVFETUUOQO-WBVHZDCISA-N 2 0 356.432 3.027 20 0 FGADRP CC[C@@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)c1ccc2c(c1)CCO2 ZINC000158461825 496706950 /nfs/dbraw/zinc/70/69/50/496706950.db2.gz WADGEVYAOHSKME-HXUWFJFHSA-N 2 0 366.509 3.009 20 0 FGADRP COc1ccc([C@@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CC[C@H](O)C2)cc1OC ZINC000182264815 496723151 /nfs/dbraw/zinc/72/31/51/496723151.db2.gz FQTSRNKBWJZBKU-UZLBHIALSA-N 2 0 370.493 3.121 20 0 FGADRP CC[NH+]1CCN(Cc2ccc(C[NH2+][C@H](C)c3cccc(O)c3)cc2)CC1 ZINC000194853946 496736475 /nfs/dbraw/zinc/73/64/75/496736475.db2.gz NICGFOUNOLFLPM-GOSISDBHSA-N 2 0 353.510 3.381 20 0 FGADRP C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)NCC[NH+](C)C2CCCC2)C1 ZINC000246989864 496744235 /nfs/dbraw/zinc/74/42/35/496744235.db2.gz OAWBYIOBMRLNBC-RBUKOAKNSA-N 2 0 364.578 3.157 20 0 FGADRP COc1cc([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C(C)C)C2)cc(OC)c1OC ZINC000247054930 496764036 /nfs/dbraw/zinc/76/40/36/496764036.db2.gz PDRMLQNCGVYKHP-CVEARBPZSA-N 2 0 350.503 3.483 20 0 FGADRP O[C@H](COc1ccccc1Cl)C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000247060666 496767475 /nfs/dbraw/zinc/76/74/75/496767475.db2.gz ZSLRZLUKUXEOEW-AYBZRNKSSA-N 2 0 364.917 3.028 20 0 FGADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2ccc(OCc3nccn3C)cc2)C1 ZINC000247088571 496776321 /nfs/dbraw/zinc/77/63/21/496776321.db2.gz PHAQXIQQUOYUNJ-QZTJIDSGSA-N 2 0 356.514 3.382 20 0 FGADRP COc1cc([C@H](C)[NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)ccc1OC(F)F ZINC000268856058 496805331 /nfs/dbraw/zinc/80/53/31/496805331.db2.gz CWSKMYZFACVYML-GOEBONIOSA-N 2 0 372.456 3.184 20 0 FGADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H](C)[C@H](C)c2nc3ccccc3s2)CC1 ZINC000247213882 496806573 /nfs/dbraw/zinc/80/65/73/496806573.db2.gz XDWIWDYFSMHRIL-IXDOHACOSA-N 2 0 360.571 3.404 20 0 FGADRP CC[C@@H]([NH2+]Cc1ccc(OCC[NH+](CC)CC)c(OC)c1)c1cnn(C)c1 ZINC000268884809 496813746 /nfs/dbraw/zinc/81/37/46/496813746.db2.gz SGYJASITLPXYEO-LJQANCHMSA-N 2 0 374.529 3.390 20 0 FGADRP CC[NH+]1CCC(CC[NH2+][C@@H](C)c2ccc(S(=O)(=O)C(F)F)cc2)CC1 ZINC000268883090 496813772 /nfs/dbraw/zinc/81/37/72/496813772.db2.gz KPJDCWZNRBZILM-AWEZNQCLSA-N 2 0 374.497 3.456 20 0 FGADRP C[C@@H]1CN(Cc2ccccn2)CC[C@H]1[NH2+]C[C@@H]1CCN(c2ccccc2)C1 ZINC000247247907 496816152 /nfs/dbraw/zinc/81/61/52/496816152.db2.gz ZJXKYAUPDIHJQU-ZRCGQRJVSA-N 2 0 364.537 3.408 20 0 FGADRP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000247310493 496831591 /nfs/dbraw/zinc/83/15/91/496831591.db2.gz HCOZWWHFXSNNHL-ZGXWSNOMSA-N 2 0 364.578 3.013 20 0 FGADRP CC[NH+]1CCC(CNC(=O)N2CCC[N@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000569176271 505869263 /nfs/dbraw/zinc/86/92/63/505869263.db2.gz LXQWRXXMRGXKIB-LJQANCHMSA-N 2 0 372.557 3.024 20 0 FGADRP C[NH+]1CCN(CCC[NH2+][C@@H](Cc2ccccc2F)c2ccccc2)CC1 ZINC000191692294 496856437 /nfs/dbraw/zinc/85/64/37/496856437.db2.gz GXFCCAJIIWHKDX-QFIPXVFZSA-N 2 0 355.501 3.337 20 0 FGADRP C[C@@H](NC(=O)CN(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000247483804 496869626 /nfs/dbraw/zinc/86/96/26/496869626.db2.gz KJXXTEAGOPMMIK-TZIWHRDSSA-N 2 0 365.521 3.318 20 0 FGADRP CCc1ccc([C@H](C)NC(=O)[C@H](C)N2CC[C@@H](C[NH+](CC)CC)C2)cc1 ZINC000247542951 496884623 /nfs/dbraw/zinc/88/46/23/496884623.db2.gz PGTSEHFBHCOZOB-BJLQDIEVSA-N 2 0 359.558 3.478 20 0 FGADRP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@@H]3CCC[C@H]32)CC1 ZINC000247642951 496898490 /nfs/dbraw/zinc/89/84/90/496898490.db2.gz TXYRFDHEZQQASB-SIKLNZKXSA-N 2 0 369.553 3.340 20 0 FGADRP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)c1ccc(Br)s1 ZINC000247926124 496929258 /nfs/dbraw/zinc/92/92/58/496929258.db2.gz BPTWMKNDWANJLQ-OLZOCXBDSA-N 2 0 361.349 3.398 20 0 FGADRP C[NH+](C)Cc1ccc(C(=O)NCc2cccc(C[NH+]3CCCC3)c2)cc1 ZINC000195473402 496933995 /nfs/dbraw/zinc/93/39/95/496933995.db2.gz LFPTZEGSUFFBQR-UHFFFAOYSA-N 2 0 351.494 3.274 20 0 FGADRP C[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)[C@@H]1c1ccccc1 ZINC000248035723 496945400 /nfs/dbraw/zinc/94/54/00/496945400.db2.gz LESCQYBXQRKXJK-JBACZVJFSA-N 2 0 355.526 3.203 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2ccc(-n3cncn3)cc2)[C@@H](C)C1 ZINC000248062705 496950417 /nfs/dbraw/zinc/95/04/17/496950417.db2.gz YXICMSRAEDNDKC-UEXGIBASSA-N 2 0 371.529 3.055 20 0 FGADRP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)NCCC[N@@H+]2CCCC[C@@H]2C)C1 ZINC000195619885 496954299 /nfs/dbraw/zinc/95/42/99/496954299.db2.gz AZLOXXRWVKJCIN-AQNXPRMDSA-N 2 0 366.594 3.308 20 0 FGADRP NC(=O)[C@H]1CCC[N@H+](Cc2cccc(C[NH2+][C@@H]3CCC34CCCC4)c2)C1 ZINC000189117823 497014082 /nfs/dbraw/zinc/01/40/82/497014082.db2.gz QVLYGMXRCFMLEL-VQTJNVASSA-N 2 0 355.526 3.196 20 0 FGADRP Cc1c([C@H](C)[NH2+]CC2CC[NH+](C3CC3)CC2)nnn1-c1ccc(F)cc1 ZINC000278180507 497028744 /nfs/dbraw/zinc/02/87/44/497028744.db2.gz BMGBYLWJJUYUBU-AWEZNQCLSA-N 2 0 357.477 3.240 20 0 FGADRP CC[NH+](CC)CCOc1ccc(C[NH2+][C@H](C)c2ccnn2C)cc1OC ZINC000278268977 497057741 /nfs/dbraw/zinc/05/77/41/497057741.db2.gz OVJAPHZMCNPNGW-MRXNPFEDSA-N 2 0 360.502 3.000 20 0 FGADRP CCCN(CCC[NH+](C)C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000248737583 497094288 /nfs/dbraw/zinc/09/42/88/497094288.db2.gz XOSCWQMDAUDXDH-PZJWPPBQSA-N 2 0 374.573 3.413 20 0 FGADRP CCC[NH+]1CCC(N(C)C(=O)N[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000248788001 497104813 /nfs/dbraw/zinc/10/48/13/497104813.db2.gz IMXKNWNOYMPLNX-NQIIRXRSSA-N 2 0 372.557 3.023 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)N(C)CC[C@H]1CCCC[NH+]1C ZINC000248789078 497105033 /nfs/dbraw/zinc/10/50/33/497105033.db2.gz IOGTYAVMYRGKPC-NRSPTQNISA-N 2 0 372.557 3.023 20 0 FGADRP COCCC1(C[NH2+]Cc2ccccc2C[N@@H+]2CC[C@H](O)C2)CCCCC1 ZINC000189398159 497105741 /nfs/dbraw/zinc/10/57/41/497105741.db2.gz PTOHXKSTBUZNCW-NRFANRHFSA-N 2 0 360.542 3.330 20 0 FGADRP COc1cccc2c1CC[C@@H]([NH2+]Cc1ccc(OCC[NH+](C)C)cc1)C2 ZINC000192439512 497114517 /nfs/dbraw/zinc/11/45/17/497114517.db2.gz FNCXESGPATYBSL-LJQANCHMSA-N 2 0 354.494 3.283 20 0 FGADRP C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)C1CC[NH+](C2CC2)CC1 ZINC000192538445 497143916 /nfs/dbraw/zinc/14/39/16/497143916.db2.gz ASEJDXWUIGYQEA-UHFFFAOYSA-N 2 0 363.933 3.105 20 0 FGADRP Cc1cc(=O)[nH]c([C@H](C)[NH+]2CCC(C[N@H+](C)Cc3ccccc3)CC2)n1 ZINC000192566723 497151027 /nfs/dbraw/zinc/15/10/27/497151027.db2.gz GLFOXQFKGOBHQS-KRWDZBQOSA-N 2 0 354.498 3.396 20 0 FGADRP Cc1ccc(NC(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)c(OCC[NH+](C)C)c1 ZINC000265676782 497158391 /nfs/dbraw/zinc/15/83/91/497158391.db2.gz AVJKOJGBLHCUQX-GOSISDBHSA-N 2 0 374.529 3.028 20 0 FGADRP C[NH+](C)Cc1cccc(C[NH2+]C[C@@H](O)Cc2ccccc2C(F)(F)F)c1 ZINC000581006870 505889362 /nfs/dbraw/zinc/88/93/62/505889362.db2.gz TUWUSQJSAPQEQY-SFHVURJKSA-N 2 0 366.427 3.460 20 0 FGADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CCC[C@@H]2C[C@H](O)c2cccs2)CC1 ZINC000192754415 497204424 /nfs/dbraw/zinc/20/44/24/497204424.db2.gz SAJPEXBBCWGWOP-MOPGFXCFSA-N 2 0 365.587 3.052 20 0 FGADRP C[NH+](C)CCNC(=O)c1cccc(C[NH2+][C@H]2CCCNc3ccccc32)c1 ZINC000192810735 497219846 /nfs/dbraw/zinc/21/98/46/497219846.db2.gz HPOMKWZQOCBKDZ-NRFANRHFSA-N 2 0 366.509 3.015 20 0 FGADRP C[NH2+]C[C@H](C)C(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000237328373 497221588 /nfs/dbraw/zinc/22/15/88/497221588.db2.gz MSBFXYJGXAIOMJ-YSVLISHTSA-N 2 0 371.447 3.060 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)CCC2CC[NH2+]CC2)cc1 ZINC000237348173 497224535 /nfs/dbraw/zinc/22/45/35/497224535.db2.gz JTIBEDAVCPXWLU-GOSISDBHSA-N 2 0 357.542 3.457 20 0 FGADRP C[C@@H]([NH2+]CCCN1CC[N@H+](C)C[C@H]1c1ccccc1)c1cccc(O)c1 ZINC000249584895 497225372 /nfs/dbraw/zinc/22/53/72/497225372.db2.gz OCSPEMRDEAJQHJ-GCJKJVERSA-N 2 0 353.510 3.422 20 0 FGADRP C[C@@H](CC(=O)N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1)C1CC[NH2+]CC1 ZINC000237375595 497227796 /nfs/dbraw/zinc/22/77/96/497227796.db2.gz RXZGIRIITWWKLC-RBUKOAKNSA-N 2 0 357.542 3.135 20 0 FGADRP COC[C@H]([NH2+]CCCN1CC[NH+](C(C)C)CC1)c1ccc(Cl)cc1 ZINC000192850259 497229637 /nfs/dbraw/zinc/22/96/37/497229637.db2.gz OEFSACVPPAGZNQ-IBGZPJMESA-N 2 0 353.938 3.033 20 0 FGADRP Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)[C@@H](C[NH3+])c1ccccc1 ZINC000237591142 497259930 /nfs/dbraw/zinc/25/99/30/497259930.db2.gz AFBXDVPZYUPFFF-IBGZPJMESA-N 2 0 369.534 3.225 20 0 FGADRP Cc1ccccc1C[NH+]1CCC(NC(=O)[C@H](C)[C@H]([NH3+])c2ccccc2)CC1 ZINC000237701771 497278200 /nfs/dbraw/zinc/27/82/00/497278200.db2.gz OEWYWIWWOOZMSH-GCJKJVERSA-N 2 0 365.521 3.412 20 0 FGADRP CC(C)[NH+]1CCN(C2CC[NH+](Cc3cnc4ccccc4c3)CC2)CC1 ZINC000271211363 497291536 /nfs/dbraw/zinc/29/15/36/497291536.db2.gz LXNCTJVGLCVICA-UHFFFAOYSA-N 2 0 352.526 3.225 20 0 FGADRP CCC[NH+]1CCC([N@H+](C)C[C@@H](O)CO[C@H]2CCCc3ccccc32)CC1 ZINC000252645864 497314358 /nfs/dbraw/zinc/31/43/58/497314358.db2.gz CGPFEWXSQWOYOO-IRLDBZIGSA-N 2 0 360.542 3.248 20 0 FGADRP [NH3+]Cc1ccc(C(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1 ZINC000237961421 497320405 /nfs/dbraw/zinc/32/04/05/497320405.db2.gz XGEPASONAKCXCF-UHFFFAOYSA-N 2 0 357.885 3.193 20 0 FGADRP [NH3+]C[C@@H](C(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1)c1ccccc1 ZINC000238026603 497329540 /nfs/dbraw/zinc/32/95/40/497329540.db2.gz WMXCHDCASSPRGP-WOJBJXKFSA-N 2 0 371.912 3.336 20 0 FGADRP CC[C@@H]1C[N@H+](CC(=O)NC2CC[NH+](C(C)C)CC2)CC[C@H]1c1ccccc1 ZINC000245408026 497392012 /nfs/dbraw/zinc/39/20/12/497392012.db2.gz FFUIKDPLJVZFBU-DENIHFKCSA-N 2 0 371.569 3.491 20 0 FGADRP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)NCC[C@H](C)[NH+](C)Cc2ccccc2)C1 ZINC000245426029 497399057 /nfs/dbraw/zinc/39/90/57/497399057.db2.gz FMFXOIGJDIRYQY-FPOVZHCZSA-N 2 0 374.573 3.317 20 0 FGADRP CCC[N@H+](C)C[C@H]1CCN(CC(=O)N[C@H](C)c2ccccc2Cl)C1 ZINC000245440537 497407849 /nfs/dbraw/zinc/40/78/49/497407849.db2.gz UPSNTKIHMGUXGS-HZPDHXFCSA-N 2 0 351.922 3.181 20 0 FGADRP C[C@H](NC(=O)C[C@@H]([NH3+])c1ccccc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261573985 497415902 /nfs/dbraw/zinc/41/59/02/497415902.db2.gz AXSSDISZINDFGF-IOMROCGXSA-N 2 0 351.494 3.103 20 0 FGADRP C[C@H](c1ccc2ccccc2c1)[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000261934863 497478578 /nfs/dbraw/zinc/47/85/78/497478578.db2.gz WQRJGLUOWDDLCU-JBYIUTFZSA-N 2 0 365.521 3.481 20 0 FGADRP C[N@H+](CCCNC(=O)NC1CC[NH+](C(C)(C)C)CC1)C1CCCCC1 ZINC000193841386 497498471 /nfs/dbraw/zinc/49/84/71/497498471.db2.gz STWQELQPCPLYBI-UHFFFAOYSA-N 2 0 352.567 3.203 20 0 FGADRP COCCC[NH+]1CCC(N[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC000245681732 497499800 /nfs/dbraw/zinc/49/98/00/497499800.db2.gz JADJUNCHMAJPTJ-WBDAEOGXSA-N 2 0 371.569 3.273 20 0 FGADRP C[C@H](c1ccc(F)c(Cl)c1)[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000262181324 497521188 /nfs/dbraw/zinc/52/11/88/497521188.db2.gz IRSUSEBMMQVUNX-HBUWYVDXSA-N 2 0 367.896 3.120 20 0 FGADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H]1CCc2ccc(Br)cc21 ZINC000193989553 497540902 /nfs/dbraw/zinc/54/09/02/497540902.db2.gz HSNRGFIZDRQCCL-DOTOQJQBSA-N 2 0 355.320 3.383 20 0 FGADRP c1ccc(N2CC[NH+](CCCC[NH2+][C@@H]3[C@H]4CCO[C@H]4C34CCC4)CC2)cc1 ZINC000193996792 497542649 /nfs/dbraw/zinc/54/26/49/497542649.db2.gz ATJZGMWAYALKJA-YPAWHYETSA-N 2 0 369.553 3.136 20 0 FGADRP c1c[nH]c([C@@H]2CCC[NH+](CCCCC[N@@H+]3CCC[C@@H](c4ncc[nH]4)C3)C2)n1 ZINC000267462435 497558486 /nfs/dbraw/zinc/55/84/86/497558486.db2.gz VMKPBDYVCGKNOD-RTBURBONSA-N 2 0 370.545 3.362 20 0 FGADRP CC[NH+](CC)CCOc1ccc(C[NH2+][C@@H]2C[C@@H](C)O[C@@H](C)C2)cc1OC ZINC000245882875 497559426 /nfs/dbraw/zinc/55/94/26/497559426.db2.gz LBLFZUWSDZXGSO-IZZQQSIFSA-N 2 0 364.530 3.461 20 0 FGADRP C[C@@H]([NH2+]CCN1CCC([NH+](C)C)CC1)c1cc(Br)cs1 ZINC000194068696 497563015 /nfs/dbraw/zinc/56/30/15/497563015.db2.gz UIYSHVWQJRARJH-GFCCVEGCSA-N 2 0 360.365 3.187 20 0 FGADRP C[N@@H+]1CCN(CCC[NH2+][C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)[C@H](c2ccccc2)C1 ZINC000245897351 497563437 /nfs/dbraw/zinc/56/34/37/497563437.db2.gz NHFWUEMQXFIWAL-KJJMTIBFSA-N 2 0 371.569 3.158 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21)c1ccccc1 ZINC000245935513 497577679 /nfs/dbraw/zinc/57/76/79/497577679.db2.gz IZKUSQWKBQIBTK-PWRODBHTSA-N 2 0 372.557 3.195 20 0 FGADRP C[C@H](NC(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21)c1cccc(-n2ccnc2)c1 ZINC000245976067 497588333 /nfs/dbraw/zinc/58/83/33/497588333.db2.gz OQXIHIAPCIJHOO-ILZDJORESA-N 2 0 367.497 3.059 20 0 FGADRP O=C(Nc1ccc(CC[NH+]2CCSCC2)cc1)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000262650765 497592408 /nfs/dbraw/zinc/59/24/08/497592408.db2.gz RAJSUEHUAKSNKV-RLLQIKCJSA-N 2 0 373.566 3.137 20 0 FGADRP Cc1ccc([C@H](N)C(=O)N2CC[C@@H](C)[N@@H+](Cc3ccccc3)CC2)cc1 ZINC000262656034 497592787 /nfs/dbraw/zinc/59/27/87/497592787.db2.gz MIMUULQJDLLERD-NQIIRXRSSA-N 2 0 351.494 3.118 20 0 FGADRP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C[C@H](C)C1CC[NH2+]CC1 ZINC000262657850 497593270 /nfs/dbraw/zinc/59/32/70/497593270.db2.gz VRIZSFKEYWYDGX-FPOVZHCZSA-N 2 0 371.569 3.383 20 0 FGADRP C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)CC3C[C@H]4CC[C@@H](C3)[NH2+]4)cc2)C1 ZINC000262681449 497599642 /nfs/dbraw/zinc/59/96/42/497599642.db2.gz XMSNDLVLWYYYKM-IRFPFTSISA-N 2 0 369.553 3.455 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)C[C@@H](C)[C@H]1CCC[NH2+]C1)Cc1ccccc1 ZINC000262682957 497599876 /nfs/dbraw/zinc/59/98/76/497599876.db2.gz YXWSCZMSYNEZDI-GIVPXCGWSA-N 2 0 359.558 3.082 20 0 FGADRP CCO[C@@H]1C[C@]([NH3+])(C(=O)Nc2ccc(C[NH+]3CCC(C)CC3)cc2)C1(C)C ZINC000262780962 497619784 /nfs/dbraw/zinc/61/97/84/497619784.db2.gz KXDQFBMPNXVSKQ-KNQAVFIVSA-N 2 0 373.541 3.390 20 0 FGADRP CN(c1ccccc1C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1)C1CC[NH+](C)CC1 ZINC000246100551 497621485 /nfs/dbraw/zinc/62/14/85/497621485.db2.gz JFIKMAMSFNIGDP-KNQAVFIVSA-N 3 0 370.585 3.133 20 0 FGADRP CCO[C@@H]1C[C@@]([NH3+])(C(=O)Nc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)C1(C)C ZINC000262803828 497624995 /nfs/dbraw/zinc/62/49/95/497624995.db2.gz SADPGGGOMOHIBL-ZWDAVXSWSA-N 2 0 373.541 3.390 20 0 FGADRP C[C@@H]1C[C@H](N(C)C(=O)[C@](C)([NH3+])c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000262928638 497657957 /nfs/dbraw/zinc/65/79/57/497657957.db2.gz SMEICFMDJSKYNS-JMUQELJHSA-N 2 0 365.521 3.372 20 0 FGADRP CCC[NH+]1CCC(N(C)C(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000194425413 497663207 /nfs/dbraw/zinc/66/32/07/497663207.db2.gz SGQQWFWVDGBHEA-HXUWFJFHSA-N 2 0 372.557 3.024 20 0 FGADRP COc1ccc(C[NH2+]CC2(C)CC[NH+](C)CC2)cc1OCc1cccnc1 ZINC000272573464 497667285 /nfs/dbraw/zinc/66/72/85/497667285.db2.gz OUQPXVRGKCIIQJ-UHFFFAOYSA-N 2 0 369.509 3.491 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N(C)[C@@H]1CC[N@H+](C)C[C@H]1C)c1ccccc1 ZINC000246317916 497693196 /nfs/dbraw/zinc/69/31/96/497693196.db2.gz MQEZZGARMJJWIN-MISYRCLQSA-N 2 0 360.546 3.051 20 0 FGADRP CC(C)Cc1ccc([C@@H](CNC(=O)N2CCC(CC[NH3+])CC2)[NH+](C)C)cc1 ZINC000578368139 505923514 /nfs/dbraw/zinc/92/35/14/505923514.db2.gz DCWUSSLMMHUAAP-OAQYLSRUSA-N 2 0 374.573 3.258 20 0 FGADRP C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000246347847 497703953 /nfs/dbraw/zinc/70/39/53/497703953.db2.gz OWKCAFFNQPLXPC-GHTZIAJQSA-N 2 0 372.557 3.154 20 0 FGADRP C[C@H]1C[C@H](NC(=O)c2sccc2CN(C)C)C[N@@H+]1Cc1ccccc1 ZINC000268224081 497704987 /nfs/dbraw/zinc/70/49/87/497704987.db2.gz QZECDHRFPNVMJN-YJBOKZPZSA-N 2 0 357.523 3.203 20 0 FGADRP C[C@@H]1CC[N@H+](CCOc2ccc(NC(=O)[C@H]3CCCC[C@@]3(C)[NH3+])cc2)C1 ZINC000263122453 497710593 /nfs/dbraw/zinc/71/05/93/497710593.db2.gz BAWCILLNFXKSPI-OZOXKJRCSA-N 2 0 359.514 3.253 20 0 FGADRP C[C@@H]1C[C@H](N(C)C(=O)[C@@H]2CCCC[C@@]2(C)[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000263173542 497724227 /nfs/dbraw/zinc/72/42/27/497724227.db2.gz GAOHCAHYCPELCV-RPUPUWCGSA-N 2 0 357.542 3.406 20 0 FGADRP CCC(CC)[C@H](CNC(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1)[NH+]1CCCC1 ZINC000246422221 497730086 /nfs/dbraw/zinc/73/00/86/497730086.db2.gz SPJOMVMBQOTPEC-WDSOQIARSA-N 2 0 352.567 3.011 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)[C@H](C)C1 ZINC000246432721 497731995 /nfs/dbraw/zinc/73/19/95/497731995.db2.gz MTTVVBYDNGVZKK-NRSPTQNISA-N 2 0 372.557 3.195 20 0 FGADRP CC[NH+](CC)Cc1ccc(CNC(=O)N(C)[C@H]2CC[N@H+](CC)C[C@@H]2C)cc1 ZINC000246454647 497740068 /nfs/dbraw/zinc/74/00/68/497740068.db2.gz ORVYGNRQLVUBOV-RXVVDRJESA-N 2 0 374.573 3.400 20 0 FGADRP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)c1ccc(-n2ccnc2)cc1 ZINC000246510488 497758729 /nfs/dbraw/zinc/75/87/29/497758729.db2.gz UABMWBCCMGLZKI-BULFRSBZSA-N 3 0 368.525 3.291 20 0 FGADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)NCCCC[NH+]2CCCC[C@H]2C)C1 ZINC000246568615 497777067 /nfs/dbraw/zinc/77/70/67/497777067.db2.gz ZHLNWZSVOMCGPL-MOPGFXCFSA-N 2 0 352.567 3.014 20 0 FGADRP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000246571383 497778580 /nfs/dbraw/zinc/77/85/80/497778580.db2.gz VAYAJJSSJCPREY-IMKFEJLOSA-N 2 0 369.553 3.180 20 0 FGADRP COCCOc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](C(C)C)C2)cc1OC ZINC000246901108 497819603 /nfs/dbraw/zinc/81/96/03/497819603.db2.gz FHXRWMNIMCRFGO-QZTJIDSGSA-N 2 0 364.530 3.491 20 0 FGADRP CC(C)Oc1cccc(C[NH2+]Cc2ccncc2OCCC[NH+](C)C)c1 ZINC000288589223 497839787 /nfs/dbraw/zinc/83/97/87/497839787.db2.gz ONAMQJNEKINTMF-UHFFFAOYSA-N 2 0 357.498 3.489 20 0 FGADRP CN(CC[N@H+](C)C1CC1)C(=O)C1CC[NH+](Cc2ccc(Cl)s2)CC1 ZINC000364279245 497877512 /nfs/dbraw/zinc/87/75/12/497877512.db2.gz MAQMOMUDWPPGLI-UHFFFAOYSA-N 2 0 369.962 3.166 20 0 FGADRP Cc1cc(C[NH2+]C[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)ccc1-n1cncn1 ZINC000364296396 497885039 /nfs/dbraw/zinc/88/50/39/497885039.db2.gz BWUBIUZTEQNGLV-RBBKRZOGSA-N 2 0 361.493 3.358 20 0 FGADRP C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)NC2CC[NH+](C)CC2)c1 ZINC000299665239 497885944 /nfs/dbraw/zinc/88/59/44/497885944.db2.gz RGVSSYWLRQRFLV-UHFFFAOYSA-N 2 0 351.494 3.143 20 0 FGADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@@H]1CCc2nnc(-c3ccc(F)cc3)n2C1 ZINC000569474129 505943939 /nfs/dbraw/zinc/94/39/39/505943939.db2.gz VUAQEQCNMBNAHG-AYOQOUSVSA-N 2 0 371.504 3.299 20 0 FGADRP C[C@H](C[NH2+][C@H](C)Cc1ccccc1C(F)(F)F)CN1CC[NH+](C)CC1 ZINC000280947091 497960765 /nfs/dbraw/zinc/96/07/65/497960765.db2.gz SXEBQAUSMICGFY-HZPDHXFCSA-N 2 0 357.464 3.110 20 0 FGADRP Cc1ccc(Cl)c(OC[C@@H](O)C[NH2+]C2CCC(C[NH+](C)C)CC2)c1 ZINC000572393544 505957858 /nfs/dbraw/zinc/95/78/58/505957858.db2.gz OMSBHKGWROCHEX-JCYILVPMSA-N 2 0 354.922 3.098 20 0 FGADRP C[C@@H]([NH2+]CCOCC[NH3+])c1nc(-c2ccc(Br)cc2)cs1 ZINC000569576717 505968544 /nfs/dbraw/zinc/96/85/44/505968544.db2.gz CAQYOUSBPSFKCL-LLVKDONJSA-N 2 0 370.316 3.199 20 0 FGADRP C[S@](=O)C1(C[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CCC1 ZINC000281219139 498061049 /nfs/dbraw/zinc/06/10/49/498061049.db2.gz ZJXCEPSSBOMVOV-YASKCIBGSA-N 2 0 360.567 3.178 20 0 FGADRP Cc1ccccc1[C@@H]([NH3+])C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000296574056 498102255 /nfs/dbraw/zinc/10/22/55/498102255.db2.gz WFMMIVPXLRIAMB-OAQYLSRUSA-N 2 0 351.494 3.023 20 0 FGADRP C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)[C@@H](C[NH3+])c2ccccc2)CC1 ZINC000572486953 505981512 /nfs/dbraw/zinc/98/15/12/505981512.db2.gz QMLJUVFSONDCEB-RXVVDRJESA-N 2 0 357.542 3.232 20 0 FGADRP C[NH2+]Cc1ccc(NC(=O)NC[C@@H](c2ccc(Cl)cc2)[NH+](C)C)cc1 ZINC000572495900 505983204 /nfs/dbraw/zinc/98/32/04/505983204.db2.gz NTACRLXXSPXMMU-SFHVURJKSA-N 2 0 360.889 3.484 20 0 FGADRP C[C@H]([NH2+][C@@H]1CCC(=O)N[C@H]1C(C)(C)C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000285616832 498147864 /nfs/dbraw/zinc/14/78/64/498147864.db2.gz JMAGRZWBBMDALH-XFIJJGBISA-N 2 0 357.542 3.180 20 0 FGADRP CC[NH+]1CCN(Cc2ccccc2C[NH2+]Cc2cn(C(C)C)nc2C)CC1 ZINC000281449770 498154733 /nfs/dbraw/zinc/15/47/33/498154733.db2.gz SQWHKXZUPRQPIH-UHFFFAOYSA-N 2 0 369.557 3.200 20 0 FGADRP C[C@@H]([NH2+]C1CCN(c2nccs2)CC1)c1cccc(OCC[NH+](C)C)c1 ZINC000281463317 498158930 /nfs/dbraw/zinc/15/89/30/498158930.db2.gz DWZHLVMXFUCFBA-MRXNPFEDSA-N 2 0 374.554 3.403 20 0 FGADRP CCC[NH+]1CCC(N2CC[NH+](CC3(CCOC)CCCCC3)CC2)CC1 ZINC000364853542 498174699 /nfs/dbraw/zinc/17/46/99/498174699.db2.gz KIYFCABROIRAPJ-UHFFFAOYSA-N 2 0 365.606 3.465 20 0 FGADRP C[N@@H+]1CCN(CC[NH2+][C@H]2CCc3c2cccc3Br)CC1(C)C ZINC000572562972 505998236 /nfs/dbraw/zinc/99/82/36/505998236.db2.gz JYIIMBLWEURGPN-KRWDZBQOSA-N 2 0 366.347 3.052 20 0 FGADRP C[N@@H+]1CCC[C@@H](N2CCN(c3cc(C(C)(C)C)nc(C(C)(C)C)n3)CC2)C1 ZINC000301724173 498239352 /nfs/dbraw/zinc/23/93/52/498239352.db2.gz LKEFWSKAYARGMZ-QGZVFWFLSA-N 2 0 373.589 3.288 20 0 FGADRP [NH3+]C[C@H](NC(=O)N1CC[C@H]([NH+]2CCCCC2)C1)c1ccc2ccccc2c1 ZINC000578730485 506007426 /nfs/dbraw/zinc/00/74/26/506007426.db2.gz FYYIOPXUNPBXNG-SFTDATJTSA-N 2 0 366.509 3.109 20 0 FGADRP c1c[nH]c([C@H](NC[C@H]2CCC[N@H+]2CCc2ccccc2)c2ccncc2)n1 ZINC000365062835 498278720 /nfs/dbraw/zinc/27/87/20/498278720.db2.gz APHVFIKPSXKFLE-NHCUHLMSSA-N 2 0 361.493 3.191 20 0 FGADRP COc1ccc([C@H](C)[NH2+]C2CC[NH+]([C@H]3CCC[C@H]3O)CC2)c(C)c1OC ZINC000286063648 498282264 /nfs/dbraw/zinc/28/22/64/498282264.db2.gz KTVBVEJPGRDGHY-ZYSHUDEJSA-N 2 0 362.514 3.041 20 0 FGADRP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+]CCc1csc(C(C)(C)C)n1 ZINC000360813088 498313226 /nfs/dbraw/zinc/31/32/26/498313226.db2.gz WCMQLUYIZOMXLH-BPQIPLTHSA-N 2 0 365.587 3.462 20 0 FGADRP COc1cc(OC)cc(N2CC[C@H](C[NH2+][C@H]3C[C@@H]([NH3+])c4ccccc43)C2)c1 ZINC000572593345 506006422 /nfs/dbraw/zinc/00/64/22/506006422.db2.gz KORUVMHLMSALKX-RTOPAQNCSA-N 2 0 367.493 3.265 20 0 FGADRP COc1cc(OC)cc(N2CC[C@H](C[NH2+][C@@H]3C[C@@H]([NH3+])c4ccccc43)C2)c1 ZINC000572593346 506006554 /nfs/dbraw/zinc/00/65/54/506006554.db2.gz KORUVMHLMSALKX-UJUVCNOISA-N 2 0 367.493 3.265 20 0 FGADRP COCCOCc1ccc(C[NH2+]Cc2ccccc2OCC[NH+](C)C)cc1 ZINC000289874536 498332407 /nfs/dbraw/zinc/33/24/07/498332407.db2.gz WRTVVELHKAWCCX-UHFFFAOYSA-N 2 0 372.509 3.080 20 0 FGADRP C[C@H]([NH2+]CCCC[NH+]1CCC(Cc2ccccc2)CC1)c1ccc(=O)[nH]n1 ZINC000286242132 498336339 /nfs/dbraw/zinc/33/63/39/498336339.db2.gz UAJWHHDIXKQOCH-SFHVURJKSA-N 2 0 368.525 3.155 20 0 FGADRP COCCC[C@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)c1ccc(F)cc1 ZINC000282028187 498362864 /nfs/dbraw/zinc/36/28/64/498362864.db2.gz STRNTMVCGAYLHI-NRFANRHFSA-N 2 0 365.537 3.157 20 0 FGADRP C[NH+](C)Cc1c2ccccc2oc1C(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000297288047 498392750 /nfs/dbraw/zinc/39/27/50/498392750.db2.gz WZUWAIYSPPGDCF-UHFFFAOYSA-N 2 0 355.482 3.241 20 0 FGADRP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000572705154 506032917 /nfs/dbraw/zinc/03/29/17/506032917.db2.gz QFGZQUKRXGEWPY-GHTZIAJQSA-N 2 0 372.557 3.474 20 0 FGADRP C[C@@H]1C[C@@H]([NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)C[C@H](C)O1 ZINC000575953242 506040212 /nfs/dbraw/zinc/04/02/12/506040212.db2.gz MBLZVMJFLDAPMF-MXNKGDRCSA-N 2 0 372.553 3.461 20 0 FGADRP COc1cc([C@H](C)[NH2+]CCCCC[NH+]2CCCC2)ccc1S(C)(=O)=O ZINC000293755474 498478205 /nfs/dbraw/zinc/47/82/05/498478205.db2.gz QTBMFPBSYKHXJZ-INIZCTEOSA-N 2 0 368.543 3.015 20 0 FGADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)Nc1ccc(C[NH+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000331860732 498478749 /nfs/dbraw/zinc/47/87/49/498478749.db2.gz YMNASNLYAAFDEK-SOLBZPMBSA-N 2 0 372.513 3.245 20 0 FGADRP [NH3+]CC[C@@H]1CCC[N@H+](Cc2cc3c(cc2Br)OCCCO3)C1 ZINC000578867788 506040785 /nfs/dbraw/zinc/04/07/85/506040785.db2.gz CDKXFMSHIMKGBM-ZDUSSCGKSA-N 2 0 369.303 3.171 20 0 FGADRP Cc1ccccc1-c1noc([C@H](C)[NH+]2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)n1 ZINC000572741709 506041655 /nfs/dbraw/zinc/04/16/55/506041655.db2.gz YLXYLMXWSZVFMC-WDYCEAGBSA-N 2 0 370.497 3.324 20 0 FGADRP COc1c(CN(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c(C)nn1C ZINC000362385727 498507192 /nfs/dbraw/zinc/50/71/92/498507192.db2.gz GEFAZEXALYMYLX-YOFSQIOKSA-N 2 0 368.525 3.365 20 0 FGADRP CCC[N@H+](C)[C@H](CNC(=O)N[C@H](C)C[C@@H](C)[NH3+])c1ccc(Cl)cc1 ZINC000578888229 506045713 /nfs/dbraw/zinc/04/57/13/506045713.db2.gz XEYDOLLIFXYKBV-CKEIUWERSA-N 2 0 354.926 3.148 20 0 FGADRP CC(=O)N1CCCN(C[C@H]2CCC[N@H+](C[C@H]3CCCC(C)(C)C3)C2)CC1 ZINC000569917150 506046369 /nfs/dbraw/zinc/04/63/69/506046369.db2.gz WPYCKKHUYAOZLO-LEWJYISDSA-N 2 0 363.590 3.469 20 0 FGADRP Cc1nn(-c2ccccn2)c(C)c1C[N@H+]1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000290363435 498524060 /nfs/dbraw/zinc/52/40/60/498524060.db2.gz GYLQFMMQMFHOAY-IBGZPJMESA-N 2 0 353.514 3.048 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCc1ncc(C2OCCO2)s1 ZINC000290369258 498527171 /nfs/dbraw/zinc/52/71/71/498527171.db2.gz NGAJGWOGELXGFG-NVXWUHKLSA-N 2 0 373.522 3.189 20 0 FGADRP CC[NH+](CC)Cc1ccccc1CNC(=O)NCc1ccc2c[nH+]cn2c1 ZINC000297738581 498554558 /nfs/dbraw/zinc/55/45/58/498554558.db2.gz JQMJJGLKBJJGQD-UHFFFAOYSA-N 2 0 365.481 3.176 20 0 FGADRP CN1CC[C@H]([NH2+]C2CCN(c3cc[nH+]cc3)CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000297782902 498566309 /nfs/dbraw/zinc/56/63/09/498566309.db2.gz WISRIBDLMMMQSL-LEWJYISDSA-N 2 0 372.463 3.364 20 0 FGADRP Cn1ccnc1[C@H]1CCCN(C(=O)c2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000365637417 498572289 /nfs/dbraw/zinc/57/22/89/498572289.db2.gz UHDLVVFCYYRGDE-FQEVSTJZSA-N 2 0 366.509 3.426 20 0 FGADRP CN(c1ccccc1C[N@@H+]1CCC[C@]1(C)CCCO)C1CC[NH+](C)CC1 ZINC000290553764 498595334 /nfs/dbraw/zinc/59/53/34/498595334.db2.gz RYNPEIFGKMUBSE-JOCHJYFZSA-N 2 0 359.558 3.344 20 0 FGADRP C[C@H](CNC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1)[NH+]1CCC[C@@H](C)C1 ZINC000303061326 498645040 /nfs/dbraw/zinc/64/50/40/498645040.db2.gz XOFQEMXJSNCCCK-SFHLNBCPSA-N 2 0 357.542 3.135 20 0 FGADRP CC(C)C[N@@H+]1CC[C@H](C[NH2+]C[C@@H](O)CO[C@@H](C)c2ccc(Cl)cc2)C1 ZINC000581809678 506067559 /nfs/dbraw/zinc/06/75/59/506067559.db2.gz PUNPGPMSHAOHLL-SQGPQFPESA-N 2 0 368.949 3.346 20 0 FGADRP C[N@H+](CCOc1cccc(Cl)c1)C1CC[NH+](C2CCOCC2)CC1 ZINC000363098890 498647965 /nfs/dbraw/zinc/64/79/65/498647965.db2.gz GOUZYUACKBYUSO-UHFFFAOYSA-N 2 0 352.906 3.294 20 0 FGADRP Cc1ncc2n1C[C@@H](C(=O)N(CC[NH+]1CCCCCC1)C1CCC1)CC2 ZINC000578995719 506070408 /nfs/dbraw/zinc/07/04/08/506070408.db2.gz REWIYNNQXKASTL-SFHVURJKSA-N 2 0 358.530 3.011 20 0 FGADRP COc1ccc([C@@H]2[C@@H](CNC(=[NH2+])Nc3ccccn3)CCC[N@@H+]2C)cc1 ZINC000363136490 498669356 /nfs/dbraw/zinc/66/93/56/498669356.db2.gz JDNDAWOBSLEOJH-VQIMIIECSA-N 2 0 353.470 3.110 20 0 FGADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]CCNc1ncc(C(F)(F)F)cc1Cl ZINC000572868543 506071175 /nfs/dbraw/zinc/07/11/75/506071175.db2.gz FZDPZORWSNBGCA-GXFFZTMASA-N 2 0 350.816 3.273 20 0 FGADRP COC(=O)c1ccc(C[N@@H+]2CCCC[C@H]2[C@H](C[NH3+])Cc2ccccc2)nc1 ZINC000572881829 506074548 /nfs/dbraw/zinc/07/45/48/506074548.db2.gz WWVXKBOSBRXDRW-FPOVZHCZSA-N 2 0 367.493 3.040 20 0 FGADRP COc1cccc(CCC[NH+]2CCC(C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)c1 ZINC000303937472 498730039 /nfs/dbraw/zinc/73/00/39/498730039.db2.gz RXHLBJUQKCJBER-OALUTQOASA-N 2 0 360.542 3.449 20 0 FGADRP FC(F)(F)COCCC[N@H+]1C[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000311213775 498749454 /nfs/dbraw/zinc/74/94/54/498749454.db2.gz LYDUMKGPHJPSOR-QZTJIDSGSA-N 2 0 356.432 3.409 20 0 FGADRP COc1ccc([C@H](CNC2CC[NH+](C3CC3)CC2)[NH+]2CCCCC2)cc1 ZINC000298385808 498752990 /nfs/dbraw/zinc/75/29/90/498752990.db2.gz LEWSWEVGJXTQSL-QFIPXVFZSA-N 2 0 357.542 3.439 20 0 FGADRP COC(=O)c1ccc(C[NH2+][C@@H]2CCN(Cc3ccccc3)[C@H]2C)cc1F ZINC000311600201 498753300 /nfs/dbraw/zinc/75/33/00/498753300.db2.gz GNWIWPCEZQLVNF-MGPUTAFESA-N 2 0 356.441 3.365 20 0 FGADRP CCc1cccc(OC[C@@H](O)C[NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000312737013 498763610 /nfs/dbraw/zinc/76/36/10/498763610.db2.gz XEDVMHRWKDIIEY-VXKWHMMOSA-N 2 0 368.521 3.100 20 0 FGADRP Cc1cnccc1CC[NH2+]C[C@H](O)COc1c(Cl)cccc1Cl ZINC000570082118 506086418 /nfs/dbraw/zinc/08/64/18/506086418.db2.gz QILSTTJMUYWVSH-AWEZNQCLSA-N 2 0 355.265 3.269 20 0 FGADRP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NCc1cc(C(N)=O)cs1 ZINC000283114112 498785214 /nfs/dbraw/zinc/78/52/14/498785214.db2.gz YKWZVPJTIFZTOW-GOSISDBHSA-N 2 0 357.523 3.237 20 0 FGADRP O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1ccc(Cn2ccnc2)cc1 ZINC000298520599 498800374 /nfs/dbraw/zinc/80/03/74/498800374.db2.gz XWFJKJCTPAFLEI-UHFFFAOYSA-N 2 0 374.488 3.326 20 0 FGADRP Cn1ccnc1[C@H](NC1CCN(c2cc[nH+]cc2)CC1)c1ccccc1F ZINC000298524111 498801105 /nfs/dbraw/zinc/80/11/05/498801105.db2.gz RPKBNTLNPNSNLO-HXUWFJFHSA-N 2 0 365.456 3.302 20 0 FGADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)[C@H]1CCn2c(cnc2C2CCCCC2)C1 ZINC000332831848 498808011 /nfs/dbraw/zinc/80/80/11/498808011.db2.gz UGOXLXSWCMWTBY-OXFYSEKESA-N 2 0 370.541 3.092 20 0 FGADRP C[C@H](C[NH2+]C[C@H](O)COc1ccc(Cl)cc1Cl)C[NH+]1CCCC1 ZINC000320728117 498809285 /nfs/dbraw/zinc/80/92/85/498809285.db2.gz NCAGABKKPUJXTK-HIFRSBDPSA-N 2 0 361.313 3.055 20 0 FGADRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@@H]1CCS(=O)(=O)c2ccc(F)cc21 ZINC000324936322 498832847 /nfs/dbraw/zinc/83/28/47/498832847.db2.gz YZPVOVASBRWFEN-RHSMWYFYSA-N 2 0 356.507 3.144 20 0 FGADRP C[NH+](C)Cc1ccccc1C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000366254512 498843309 /nfs/dbraw/zinc/84/33/09/498843309.db2.gz IHLGJPDIILQBKA-IBGZPJMESA-N 2 0 351.494 3.000 20 0 FGADRP C[C@@H](C(=O)N1CCC(C[NH+]2CCC(C)CC2)CC1)[C@H]([NH3+])c1ccccc1 ZINC000366336203 498878910 /nfs/dbraw/zinc/87/89/10/498878910.db2.gz ZJPXAHZUMSVAKN-NQIIRXRSSA-N 2 0 357.542 3.293 20 0 FGADRP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N[C@H]1CCN(C)[C@@H]1c1ccc(Cl)cc1 ZINC000579175851 506109349 /nfs/dbraw/zinc/10/93/49/506109349.db2.gz RDNRXVXFDDIIPH-FHLIZLRMSA-N 2 0 366.937 3.113 20 0 FGADRP COC[C@@H]1CC[NH+](Cc2cc(Cl)cc(C[N@H+]3CC[C@@H](COC)C3)c2)C1 ZINC000295115217 498914009 /nfs/dbraw/zinc/91/40/09/498914009.db2.gz VWBSNOGPCLPJOP-IAGOWNOFSA-N 2 0 366.933 3.277 20 0 FGADRP CCOc1ccc(C[NH2+]CCC2CC[NH+](C3CCN(C)CC3)CC2)cc1 ZINC000363664394 498931871 /nfs/dbraw/zinc/93/18/71/498931871.db2.gz XQBSGNLSTFAGAM-UHFFFAOYSA-N 2 0 359.558 3.371 20 0 FGADRP O=C(c1ccc2c[nH+]cn2c1)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000288226192 498971197 /nfs/dbraw/zinc/97/11/97/498971197.db2.gz FAVGFULVRCCINJ-JOCHJYFZSA-N 2 0 360.461 3.073 20 0 FGADRP COC(=O)C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(OC3CC[NH+](C)CC3)cc2)[C@@H]1C ZINC000283862818 499002407 /nfs/dbraw/zinc/00/24/07/499002407.db2.gz GJWYRJVJCZKSPA-PLMTUMEDSA-N 2 0 374.525 3.227 20 0 FGADRP O=C(NCc1ccc(-n2ccnc2)c(F)c1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000333468995 499011043 /nfs/dbraw/zinc/01/10/43/499011043.db2.gz RAQXQKXCIMTILY-LJQANCHMSA-N 2 0 356.445 3.035 20 0 FGADRP C[C@H](C(=O)Nc1ccc(C(F)(F)F)cc1)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000579239716 506127413 /nfs/dbraw/zinc/12/74/13/506127413.db2.gz IWFFBLQHSJBLIV-GUYJKWIASA-N 2 0 355.404 3.092 20 0 FGADRP C[C@@H]([NH2+]Cc1cc(Cl)cc(C[NH2+][C@@H](C)[C@@H]2CCOC2)c1)[C@H]1CCOC1 ZINC000295648144 499071761 /nfs/dbraw/zinc/07/17/61/499071761.db2.gz CTUCLKFQWFFCBC-DJDHSFSDSA-N 2 0 366.933 3.369 20 0 FGADRP C[C@@H]1CN(C2CC2)C[C@H]1[NH2+][C@H]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000284256432 499076932 /nfs/dbraw/zinc/07/69/32/499076932.db2.gz VZSKZMFOIIICCE-FUHIMQAGSA-N 2 0 357.498 3.112 20 0 FGADRP [NH3+]C[C@H]1CC[C@H](CNC(=O)N2CCC[N@H+](CC3CCCCC3)CC2)CC1 ZINC000333826138 499082663 /nfs/dbraw/zinc/08/26/63/499082663.db2.gz LQDKQGDCEHOCNV-WGSAOQKQSA-N 2 0 364.578 3.049 20 0 FGADRP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+]C[C@H](C(C)C)N2CC[NH+](C)CC2)C1 ZINC000366960927 499122700 /nfs/dbraw/zinc/12/27/00/499122700.db2.gz UFVBRGGLVKJNBQ-QHAWAJNXSA-N 2 0 358.574 3.278 20 0 FGADRP CCC[N@H+](CCc1cnn(CC)c1)C1CCN(c2cc(C)nc(C)n2)CC1 ZINC000367017861 499134397 /nfs/dbraw/zinc/13/43/97/499134397.db2.gz YTFZINSNNDPTCO-UHFFFAOYSA-N 2 0 370.545 3.233 20 0 FGADRP c1nc([C@H]2CCC[N@@H+](CC3CCC4(CC3)OCCO4)C2)n2c1CCCC2 ZINC000367057950 499141131 /nfs/dbraw/zinc/14/11/31/499141131.db2.gz OSHOWVHRQFVNKJ-SFHVURJKSA-N 2 0 359.514 3.332 20 0 FGADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CCC[C@H](n3cnc4ccccc43)C2)CC1 ZINC000367064077 499142112 /nfs/dbraw/zinc/14/21/12/499142112.db2.gz BFWJSPSWJCOWKX-FQEVSTJZSA-N 2 0 369.557 3.089 20 0 FGADRP CC[N@@H+]1CCC[C@@H](CN(C)Cc2cc(O)cc(F)c2)[C@@H]1c1cnn(C)c1 ZINC000372538986 499142799 /nfs/dbraw/zinc/14/27/99/499142799.db2.gz IEFGIKUKOLOQOX-OXJNMPFZSA-N 2 0 360.477 3.170 20 0 FGADRP CC(=O)c1c(C)cc(C)c(C[N@H+]2CCC[C@H](CN3CC[NH+](C)CC3)C2)c1C ZINC000367108540 499150086 /nfs/dbraw/zinc/15/00/86/499150086.db2.gz FPPFPAGPKJWKIL-OAQYLSRUSA-N 2 0 371.569 3.274 20 0 FGADRP COCCC1(C[N@@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)CCCCC1 ZINC000372686370 499160941 /nfs/dbraw/zinc/16/09/41/499160941.db2.gz XMDLJSOPBUUPMV-FQEVSTJZSA-N 2 0 351.579 3.074 20 0 FGADRP C[NH+](C)Cc1cccc(NC(=O)N2CCC3(C[C@@H]3C[N@H+](C)C3CC3)CC2)c1 ZINC000367295287 499175259 /nfs/dbraw/zinc/17/52/59/499175259.db2.gz IWFYTSULHVKLAF-GOSISDBHSA-N 2 0 370.541 3.476 20 0 FGADRP COc1ccccc1CNC(=[NH2+])NC[C@H]1CC[N@H+](C)[C@H]1c1cccs1 ZINC000370160834 499189857 /nfs/dbraw/zinc/18/98/57/499189857.db2.gz IMSYQSPLMFAODD-CRAIPNDOSA-N 2 0 358.511 3.064 20 0 FGADRP COc1ccc(NC(=[NH2+])NC[C@H]2CC[N@H+](C)[C@@H]2c2cccs2)cc1OC ZINC000370163821 499190980 /nfs/dbraw/zinc/19/09/80/499190980.db2.gz UHDQTJDSNZZZAB-ACJLOTCBSA-N 2 0 374.510 3.395 20 0 FGADRP NC(=O)c1ccc2[nH]cc(C3CC[NH+](CCC[NH+]4CCCCC4)CC3)c2c1 ZINC000372903767 499192256 /nfs/dbraw/zinc/19/22/56/499192256.db2.gz LBWUKPCHXQSRIO-UHFFFAOYSA-N 2 0 368.525 3.322 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1cc(C)c2ncccc2c1 ZINC000579287681 506136886 /nfs/dbraw/zinc/13/68/86/506136886.db2.gz ORYRAGOKTRNTBM-OAQYLSRUSA-N 2 0 354.542 3.391 20 0 FGADRP O=C(Cc1ccccc1)N1CC[C@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)C1 ZINC000367433014 499198294 /nfs/dbraw/zinc/19/82/94/499198294.db2.gz YNQFQYACYQKHAT-NRFANRHFSA-N 2 0 369.553 3.217 20 0 FGADRP O=C(NCc1nccn1CCCc1ccccc1)[C@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC000370241267 499201043 /nfs/dbraw/zinc/20/10/43/499201043.db2.gz CFKVDMJUDNRWEO-VQTJNVASSA-N 2 0 366.509 3.007 20 0 FGADRP C[C@@H]1C[N@@H+](Cc2ccccc2C[NH2+][C@H]2CCC23CCOCC3)C[C@H](C)O1 ZINC000370312779 499208526 /nfs/dbraw/zinc/20/85/26/499208526.db2.gz BZDLGQYDINJHHA-UEXGIBASSA-N 2 0 358.526 3.345 20 0 FGADRP Cc1ccc(OC(F)F)c([C@@H](C)[NH2+][C@@H]2CCN(C3CC[NH+](C)CC3)C2)c1 ZINC000370623977 499236810 /nfs/dbraw/zinc/23/68/10/499236810.db2.gz FCDXEDPXEMAXOA-HZPDHXFCSA-N 2 0 367.484 3.416 20 0 FGADRP C[C@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccccc1OC(F)F ZINC000370634174 499237831 /nfs/dbraw/zinc/23/78/31/499237831.db2.gz KKLJJYDZZCSGOT-GJZGRUSLSA-N 2 0 353.457 3.107 20 0 FGADRP C[C@@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccc(F)cc1OC(F)F ZINC000370635822 499238119 /nfs/dbraw/zinc/23/81/19/499238119.db2.gz QDKTZORWLCTABU-UKRRQHHQSA-N 2 0 371.447 3.246 20 0 FGADRP C[C@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1cccc(OC(F)F)c1 ZINC000370638197 499238416 /nfs/dbraw/zinc/23/84/16/499238416.db2.gz WOHOUAHZHFRPKK-GOEBONIOSA-N 2 0 353.457 3.107 20 0 FGADRP C[C@@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccc(OC(F)(F)F)cc1 ZINC000370638276 499238587 /nfs/dbraw/zinc/23/85/87/499238587.db2.gz XFBSRQBWVQFGGK-GDBMZVCRSA-N 2 0 371.447 3.404 20 0 FGADRP c1ncn(Cc2ccccc2C[NH2+]C2CC[NH+](C3CCCCC3)CC2)n1 ZINC000370671566 499242680 /nfs/dbraw/zinc/24/26/80/499242680.db2.gz UJRGXTINJKILEK-UHFFFAOYSA-N 2 0 353.514 3.213 20 0 FGADRP [NH3+][C@@H]1CCC[C@H](C(=O)N2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)C1 ZINC000370763382 499252341 /nfs/dbraw/zinc/25/23/41/499252341.db2.gz KANMKXICPVYXIT-TUNNFDKTSA-N 2 0 355.526 3.019 20 0 FGADRP C[C@H](c1ccc(N2CCCC2=O)cc1)[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000368025675 499256883 /nfs/dbraw/zinc/25/68/83/499256883.db2.gz XWQXAEBGYBRNFO-QYRPDUKASA-N 2 0 371.525 3.058 20 0 FGADRP CC(C)[C@]1(CO)CC[N@H+](CCCCCC[NH+]2CC[C@](CO)(C(C)C)C2)C1 ZINC000368070601 499261282 /nfs/dbraw/zinc/26/12/82/499261282.db2.gz CWPXRTPQANURFH-SZPZYZBQSA-N 2 0 368.606 3.228 20 0 FGADRP C[C@H]1C[C@@H](C(=O)N[C@@H]2CCC[C@H]3C[NH+](Cc4ccccc4)C[C@H]32)CC[N@@H+]1C ZINC000368249524 499278175 /nfs/dbraw/zinc/27/81/75/499278175.db2.gz LYXYONHQONEEAN-GLOJMNGXSA-N 2 0 369.553 3.134 20 0 FGADRP C[NH+]1CCC2(CC1)C[C@@H]([NH2+]C[C@H]1CCCn3ccnc31)c1ccccc1O2 ZINC000368361950 499288871 /nfs/dbraw/zinc/28/88/71/499288871.db2.gz DTNRBUJQBJLYMT-IEBWSBKVSA-N 2 0 366.509 3.338 20 0 FGADRP C[NH+]1CCC2(CC1)C[C@H]([NH2+]CCCOC[C@H]1CCOC1)c1ccccc1O2 ZINC000368363063 499289000 /nfs/dbraw/zinc/28/90/00/499289000.db2.gz QZSURHYWBFMROE-QUCCMNQESA-N 2 0 374.525 3.007 20 0 FGADRP O=C([C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000371241528 499301373 /nfs/dbraw/zinc/30/13/73/499301373.db2.gz CRXKSABLTPNTSY-SBHAEUEKSA-N 2 0 373.516 3.028 20 0 FGADRP [NH3+]Cc1ccc2c(c1)CCCN2C(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000371291208 499306424 /nfs/dbraw/zinc/30/64/24/499306424.db2.gz YAFBUEASKSTSDV-UHFFFAOYSA-N 2 0 363.505 3.337 20 0 FGADRP CC(C)[C@@H](C[NH2+]C1CC(c2cc(F)cc(F)c2)C1)N1CC[NH+](C)CC1 ZINC000368566063 499308155 /nfs/dbraw/zinc/30/81/55/499308155.db2.gz HASHNDQMLCBKMM-RRWXTXHCSA-N 2 0 351.485 3.072 20 0 FGADRP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](Cc3cccc(-c4cccnc4)c3)C2)CC1 ZINC000371335901 499312571 /nfs/dbraw/zinc/31/25/71/499312571.db2.gz MKXFRBCDOUYUKE-HSZRJFAPSA-N 2 0 364.537 3.349 20 0 FGADRP Cc1ccc2[nH]c(C(=O)N3CCN(C4CC[NH+](C)CC4)[C@H](C)C3)cc2c1C ZINC000371462585 499330009 /nfs/dbraw/zinc/33/00/09/499330009.db2.gz DHEFDECJHZUHKD-MRXNPFEDSA-N 2 0 368.525 3.025 20 0 FGADRP Cc1ccccc1COC1CC[NH+](CCCN2CC[NH+](C(C)C)CC2)CC1 ZINC000369184648 499375518 /nfs/dbraw/zinc/37/55/18/499375518.db2.gz RHJDQMYNANWIQQ-UHFFFAOYSA-N 2 0 373.585 3.392 20 0 FGADRP C[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(N3CCCC3)nc2)[C@@H]1c1ccccc1 ZINC000371927506 499380642 /nfs/dbraw/zinc/38/06/42/499380642.db2.gz PYISKMXZWJQZAQ-IRLDBZIGSA-N 2 0 350.510 3.464 20 0 FGADRP C[C@@H]1CCC[N@@H+]1C1CCN(C(=O)NCCCC[NH+]2CCC[C@H](C)C2)CC1 ZINC000372085453 499397749 /nfs/dbraw/zinc/39/77/49/499397749.db2.gz JAUIEXWAWRKUJW-RBUKOAKNSA-N 2 0 364.578 3.157 20 0 FGADRP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccc(Cl)c4cccnc34)C2)CC1 ZINC000369397073 499399405 /nfs/dbraw/zinc/39/94/05/499399405.db2.gz DBJHLRIKIFIYKT-GOSISDBHSA-N 2 0 372.944 3.489 20 0 FGADRP Cc1cc2ncn(C[C@@H](O)C[N@H+]3CC=C(c4cccnc4)CC3)c2cc1C ZINC000369491538 499408550 /nfs/dbraw/zinc/40/85/50/499408550.db2.gz FWAGYEDBNCSEEP-FQEVSTJZSA-N 2 0 362.477 3.198 20 0 FGADRP Cc1cc(C)cc(OCCC[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)c1 ZINC000369766951 499441856 /nfs/dbraw/zinc/44/18/56/499441856.db2.gz PACVCTHEXWMSEQ-UNMCSNQZSA-N 2 0 359.558 3.030 20 0 FGADRP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]CCCCCC(=O)OC(C)(C)C ZINC000378182021 499488288 /nfs/dbraw/zinc/48/82/88/499488288.db2.gz FZFQAWXMKBLLNF-QYZOEREBSA-N 2 0 368.562 3.368 20 0 FGADRP C[C@@H]1[NH+](CCC[N@@H+]2CCC3(CCOCC3)[C@@H]2C)CCC12CCOCC2 ZINC000375237598 499498010 /nfs/dbraw/zinc/49/80/10/499498010.db2.gz AITNWEVMZYKHFR-OALUTQOASA-N 2 0 350.547 3.159 20 0 FGADRP C[C@H]1[NH+](CCC[N@@H+]2CCC3(CCOCC3)[C@H]2C)CCC12CCOCC2 ZINC000375237599 499498075 /nfs/dbraw/zinc/49/80/75/499498075.db2.gz AITNWEVMZYKHFR-RTBURBONSA-N 2 0 350.547 3.159 20 0 FGADRP C[C@@H]1C[N@@H+]([C@@H]2CC[C@@](C)(c3ccccc3)C2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000375358009 499510339 /nfs/dbraw/zinc/51/03/39/499510339.db2.gz USQMCCBVMWDUGW-JMJGKCIBSA-N 2 0 355.570 3.455 20 0 FGADRP C[C@@H]1CN(c2ccccn2)C[C@H]1c1nc(-c2ccc(C[NH+](C)C)cc2)no1 ZINC000375413232 499515928 /nfs/dbraw/zinc/51/59/28/499515928.db2.gz JIMOKOMJINTUPG-CRAIPNDOSA-N 2 0 363.465 3.433 20 0 FGADRP C[NH2+]CCc1ccccc1C(=O)NCC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000379668319 499542970 /nfs/dbraw/zinc/54/29/70/499542970.db2.gz DHAVUGNEMUMCSP-GOSISDBHSA-N 2 0 353.510 3.089 20 0 FGADRP CC[N@H+](CCC1CCN(C(=O)N[C@H]2CC[NH+](C)[C@@H](C)C2)CC1)CC(C)C ZINC000573231146 506149184 /nfs/dbraw/zinc/14/91/84/506149184.db2.gz UOOWDJOSPRSPMO-ICSRJNTNSA-N 2 0 366.594 3.259 20 0 FGADRP C[C@@](O)(C[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2)C(F)(F)F ZINC000386211032 499548788 /nfs/dbraw/zinc/54/87/88/499548788.db2.gz MVUFLVDQAMEBDI-QGZVFWFLSA-N 2 0 356.432 3.288 20 0 FGADRP CC(C)[NH+]1CCC([NH2+]C[C@@H](O)COc2cc(Cl)ccc2Cl)CC1 ZINC000387372485 499549795 /nfs/dbraw/zinc/54/97/95/499549795.db2.gz GGBLMHMANXVROW-OAHLLOKOSA-N 2 0 361.313 3.196 20 0 FGADRP COc1cc(C[NH2+][C@@H]2CCN(Cc3ccccc3)[C@@H]2C)cc2c1OCO2 ZINC000389416762 499552598 /nfs/dbraw/zinc/55/25/98/499552598.db2.gz MPKSJQSNXUJCKA-CRAIPNDOSA-N 2 0 354.450 3.177 20 0 FGADRP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)CCN1C(=O)OC(C)(C)C ZINC000375838896 499560902 /nfs/dbraw/zinc/56/09/02/499560902.db2.gz KNUHOUVIZXLCOU-ZKXLYKBJSA-N 2 0 351.535 3.237 20 0 FGADRP C[N@H+](Cc1ccc(I)cc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000394162700 499561539 /nfs/dbraw/zinc/56/15/39/499561539.db2.gz RBAGHJMCHIGLGU-XYPWUTKMSA-N 2 0 370.278 3.348 20 0 FGADRP CC(C)[NH+]1CCN([C@H]2CC[N@H+](CCSc3ccc(F)cc3)C2)CC1 ZINC000375889057 499565284 /nfs/dbraw/zinc/56/52/84/499565284.db2.gz IXLAWIOVUVXQAM-SFHVURJKSA-N 2 0 351.535 3.018 20 0 FGADRP CC(C)[NH+]1CCN([C@H]2CC[N@H+](Cc3cc(-c4ccc(F)cc4)no3)C2)CC1 ZINC000375907709 499567529 /nfs/dbraw/zinc/56/75/29/499567529.db2.gz SVBTUQKYRXLNJG-IBGZPJMESA-N 2 0 372.488 3.081 20 0 FGADRP COc1ccc([C@H](C)[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1Br ZINC000400919832 499569150 /nfs/dbraw/zinc/56/91/50/499569150.db2.gz JBVBWOCBSXFGLK-CYUUQNCZSA-N 2 0 353.304 3.496 20 0 FGADRP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]C3CCN(c4cccnn4)CC3)CC2)C1 ZINC000376982970 499651661 /nfs/dbraw/zinc/65/16/61/499651661.db2.gz PASYKSUCXXBHIY-YLJYHZDGSA-N 2 0 357.546 3.078 20 0 FGADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+][C@H]2CCO[C@]3(CCOC3)C2)CC1 ZINC000377132173 499664772 /nfs/dbraw/zinc/66/47/72/499664772.db2.gz WUYFQUWGTPOBIB-OEXSPLCWSA-N 2 0 358.526 3.357 20 0 FGADRP COc1ccc2cc(C[N@@H+]3CC[C@H](N4CC[NH+](C)CC4)[C@@H](C)C3)ccc2c1 ZINC000377246763 499673670 /nfs/dbraw/zinc/67/36/70/499673670.db2.gz WIYXZDRHLZFZMI-MBSDFSHPSA-N 2 0 367.537 3.306 20 0 FGADRP COCCC1(C[N@H+](C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)CCCCC1 ZINC000377617230 499711038 /nfs/dbraw/zinc/71/10/38/499711038.db2.gz AGZRHYNPVCSNOF-HXUWFJFHSA-N 2 0 351.579 3.074 20 0 FGADRP C[C@H](c1ccc2c(c1)OCCCO2)[N@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000377628124 499712591 /nfs/dbraw/zinc/71/25/91/499712591.db2.gz OAJJHLQZHAHPRN-XLIONFOSSA-N 2 0 373.541 3.009 20 0 FGADRP C[N@H+](Cc1cccc(-c2cccnc2)c1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000377626791 499712813 /nfs/dbraw/zinc/71/28/13/499712813.db2.gz MQMZPQNQPHKNEA-HSZRJFAPSA-N 2 0 364.537 3.349 20 0 FGADRP CN1CCN([C@H]2CCCC[N@@H+]([C@H]3CSCCc4ccccc43)C2)CC1 ZINC000377680483 499719244 /nfs/dbraw/zinc/71/92/44/499719244.db2.gz VQARIAXDSISRBN-FPOVZHCZSA-N 2 0 359.583 3.119 20 0 FGADRP C[N@H+](Cc1cnc([C@@H]2CCCO2)s1)C1CCN(c2cc[nH+]cc2)CC1 ZINC000377692528 499720816 /nfs/dbraw/zinc/72/08/16/499720816.db2.gz JBIKCFSZRZLMAY-SFHVURJKSA-N 2 0 358.511 3.490 20 0 FGADRP c1cc(C[NH+]2CCC(O[C@H]3CCOC3)CC2)ccc1C[NH+]1CCCCC1 ZINC000411320634 499725839 /nfs/dbraw/zinc/72/58/39/499725839.db2.gz BMKIBGSCUPIFKB-QFIPXVFZSA-N 2 0 358.526 3.442 20 0 FGADRP O=C1C[C@@H]([C@H]2CCCC[N@@H+]2Cc2cccc(C[NH+]3CCCCC3)c2)CN1 ZINC000411410105 499736319 /nfs/dbraw/zinc/73/63/19/499736319.db2.gz CIMHSECIHBRJES-NHCUHLMSSA-N 2 0 355.526 3.163 20 0 FGADRP CO[C@@H]1CC[C@@H]2OCC[N@H+](Cc3ccc(C[NH+]4CCCCC4)cc3)[C@@H]2C1 ZINC000411409640 499736476 /nfs/dbraw/zinc/73/64/76/499736476.db2.gz UCKQYLURBWOTDN-VSKRKVRLSA-N 2 0 358.526 3.441 20 0 FGADRP CC(C)[NH+]1CCC(NC(=O)C[NH2+][C@H](C)c2ccc3c(c2)CCCC3)CC1 ZINC000411443540 499740958 /nfs/dbraw/zinc/74/09/58/499740958.db2.gz YJSCEQRAXPZLBE-QGZVFWFLSA-N 2 0 357.542 3.205 20 0 FGADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@@H](Cc2ccc(F)cc2)[C@H]2COc3ccccc3O2)C1 ZINC000573266836 506158007 /nfs/dbraw/zinc/15/80/07/506158007.db2.gz QIRVABPCEZVUSS-MDPIYQRISA-N 2 0 370.468 3.436 20 0 FGADRP CCN(C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000377908162 499747352 /nfs/dbraw/zinc/74/73/52/499747352.db2.gz RMJNUNGLSLCDLV-JYAXBFRTSA-N 2 0 357.542 3.401 20 0 FGADRP Cc1ccc2c(CC[NH2+][C@@H]3CC[N@@H+](C[C@H]4CCCO4)C[C@@H]3C)c[nH]c2c1 ZINC000378163922 499761522 /nfs/dbraw/zinc/76/15/22/499761522.db2.gz HUAJMBIOEQOWED-FBBABVLZSA-N 2 0 355.526 3.498 20 0 FGADRP CC[C@@]1(CO)CCC[NH+](CCC(C)CC[N@H+]2CCC[C@@](CC)(CO)C2)C1 ZINC000411573177 499764804 /nfs/dbraw/zinc/76/48/04/499764804.db2.gz SLTOUKZYXWTMOY-FGZHOGPDSA-N 2 0 368.606 3.372 20 0 FGADRP COCCOc1ccc([C@H](C)[NH2+]Cc2ccc3c[nH+]cn3c2)cc1OC ZINC000414177279 499765783 /nfs/dbraw/zinc/76/57/83/499765783.db2.gz IFXRZUZEZYJTIF-HNNXBMFYSA-N 2 0 355.438 3.219 20 0 FGADRP CC1CC[NH+](CCC[C@H]([NH2+]C[C@@H]2CNC(=O)C2)c2ccc(F)cc2)CC1 ZINC000414215193 499768945 /nfs/dbraw/zinc/76/89/45/499768945.db2.gz ZWVGELFYAQPAMT-XLIONFOSSA-N 2 0 361.505 3.105 20 0 FGADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+]CCC(C)(C)S(C)(=O)=O)CC1 ZINC000414266840 499773148 /nfs/dbraw/zinc/77/31/48/499773148.db2.gz SHHIIAQRPWEEQL-UHFFFAOYSA-N 2 0 366.571 3.233 20 0 FGADRP C[C@H]([NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1)c1ccccc1N(C)C ZINC000414292035 499774716 /nfs/dbraw/zinc/77/47/16/499774716.db2.gz ADYHZNQKJSTSBO-IBGZPJMESA-N 2 0 367.537 3.430 20 0 FGADRP OCCC[N@H+](Cc1ccc(C[NH+]2CCCCC2)cc1)Cc1ccccn1 ZINC000411663459 499774846 /nfs/dbraw/zinc/77/48/46/499774846.db2.gz PLQLVQRXJWIBRL-UHFFFAOYSA-N 2 0 353.510 3.452 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2C[NH2+]Cc2cnc(N(C)C)n2C)C1 ZINC000414301159 499775407 /nfs/dbraw/zinc/77/54/07/499775407.db2.gz BIRJEKKXYNTKAY-HDICACEKSA-N 2 0 369.557 3.254 20 0 FGADRP COc1ccc([C@H](C)[NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)cc1O ZINC000414308438 499776080 /nfs/dbraw/zinc/77/60/80/499776080.db2.gz QEJCCRGQKSZLLV-KRWDZBQOSA-N 2 0 370.493 3.079 20 0 FGADRP COc1ccsc1[C@@H](C)[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000414314302 499776836 /nfs/dbraw/zinc/77/68/36/499776836.db2.gz ZQJAPHIQVIRPPM-MRXNPFEDSA-N 2 0 360.523 3.434 20 0 FGADRP CC[C@H]1CCC[C@H]([NH2+]Cc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)C1 ZINC000414326386 499778054 /nfs/dbraw/zinc/77/80/54/499778054.db2.gz NPNRZHTXXREJJT-UWJYYQICSA-N 2 0 357.542 3.442 20 0 FGADRP C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)[C@@H](C)C1 ZINC000414344969 499779506 /nfs/dbraw/zinc/77/95/06/499779506.db2.gz SCFKKKRAVOXDJI-LLGFUMIMSA-N 2 0 357.542 3.298 20 0 FGADRP CC(C)(C)c1ccc([C@H]2CCC[N@@H+]2C[C@@H]2CCCN(C(=O)C[NH3+])C2)cc1 ZINC000414679877 499819855 /nfs/dbraw/zinc/81/98/55/499819855.db2.gz SHCUFWYZGSRQDW-FXAWDEMLSA-N 2 0 357.542 3.318 20 0 FGADRP CCC[C@@H](Cc1ccccc1)[N@H+](CCC)C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414695505 499821049 /nfs/dbraw/zinc/82/10/49/499821049.db2.gz OXSFXUFVCQRLLH-SFTDATJTSA-N 2 0 359.558 3.307 20 0 FGADRP COCC[N@@H+](Cc1cc(Br)cs1)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414756220 499827032 /nfs/dbraw/zinc/82/70/32/499827032.db2.gz JDAPCLQYZXHBBY-STQMWFEESA-N 2 0 361.349 3.347 20 0 FGADRP COc1c(Br)cccc1C[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000414778557 499830196 /nfs/dbraw/zinc/83/01/96/499830196.db2.gz JBPFWDCOULUABX-UONOGXRCSA-N 2 0 353.304 3.279 20 0 FGADRP COc1sc(C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc1Br ZINC000414784998 499830973 /nfs/dbraw/zinc/83/09/73/499830973.db2.gz RYBAXZSVZVZCJX-VXGBXAGGSA-N 2 0 359.333 3.341 20 0 FGADRP Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000414828225 499835002 /nfs/dbraw/zinc/83/50/02/499835002.db2.gz IMJJGTOTJWGCBQ-AWEZNQCLSA-N 2 0 363.303 3.032 20 0 FGADRP C[C@@H]([NH2+]Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1)[C@@H]1CCC[NH2+]C1 ZINC000414848252 499837433 /nfs/dbraw/zinc/83/74/33/499837433.db2.gz GEOZHUAFUFYLJL-UKRRQHHQSA-N 2 0 352.404 3.369 20 0 FGADRP C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000414851389 499837876 /nfs/dbraw/zinc/83/78/76/499837876.db2.gz JCOPKYIZMPVHKG-PMPSAXMXSA-N 2 0 351.922 3.055 20 0 FGADRP Brc1ccc(-n2cc(C[NH2+]CC[C@H]3CCC[NH2+]C3)cn2)cc1 ZINC000414850360 499838060 /nfs/dbraw/zinc/83/80/60/499838060.db2.gz MUCALFIYDJRJTG-CQSZACIVSA-N 2 0 363.303 3.114 20 0 FGADRP CN(c1ccccc1CNCC1([NH3+])CCCCCC1)C1CC[NH+](C)CC1 ZINC000414859758 499839000 /nfs/dbraw/zinc/83/90/00/499839000.db2.gz NOXDACCQBPSNEH-UHFFFAOYSA-N 2 0 358.574 3.358 20 0 FGADRP CCOc1cc(C[NH2+][C@H](C)CC[NH3+])cc(Br)c1OC(F)F ZINC000414894222 499842340 /nfs/dbraw/zinc/84/23/40/499842340.db2.gz ZFGRMVHUHXMMRR-SECBINFHSA-N 2 0 367.234 3.276 20 0 FGADRP C[C@]1(C[NH2+]C2CCN(Cc3c(F)cccc3Cl)CC2)CCC[NH2+]C1 ZINC000414904395 499843366 /nfs/dbraw/zinc/84/33/66/499843366.db2.gz JXXGZSOGABEOLE-IBGZPJMESA-N 2 0 353.913 3.423 20 0 FGADRP C[C@@H]1CCN(C(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)[C@H](C[NH3+])C1 ZINC000414961493 499849313 /nfs/dbraw/zinc/84/93/13/499849313.db2.gz ILPVCFBKPCXVKB-XLIONFOSSA-N 2 0 358.530 3.306 20 0 FGADRP COCC1(C[NH2+]Cc2ccc(-c3ccccc3)cc2OC)CC[NH2+]CC1 ZINC000414968872 499849774 /nfs/dbraw/zinc/84/97/74/499849774.db2.gz FUTDPPZAZAWGSS-UHFFFAOYSA-N 2 0 354.494 3.468 20 0 FGADRP COc1ccc(Cn2nc(C)c(C[NH2+]CCC[C@@H]3CCC[NH2+]3)c2C)cc1 ZINC000414972849 499850024 /nfs/dbraw/zinc/85/00/24/499850024.db2.gz YUGMTORURDCREJ-LJQANCHMSA-N 2 0 356.514 3.179 20 0 FGADRP Clc1cccc(-n2cc(C[NH2+]CCC[C@@H]3CCC[NH2+]3)nn2)c1Cl ZINC000414980046 499851061 /nfs/dbraw/zinc/85/10/61/499851061.db2.gz WFSBXBVNZZXFLX-GFCCVEGCSA-N 2 0 354.285 3.196 20 0 FGADRP CC[C@H]([NH3+])C[NH2+][C@H](C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000414981415 499851282 /nfs/dbraw/zinc/85/12/82/499851282.db2.gz BQNFYCXICGMJHA-ZJUUUORDSA-N 2 0 351.800 3.403 20 0 FGADRP COc1cc(C[NH2+]C[C@H]2CCC[C@@H]([NH3+])C2)ccc1OCc1ccncc1 ZINC000415005559 499854369 /nfs/dbraw/zinc/85/43/69/499854369.db2.gz PEYJYZVOFBYDTQ-PKOBYXMFSA-N 2 0 355.482 3.276 20 0 FGADRP COc1ccc(NC(=O)C[C@H](C)[NH2+][C@@H](CCC[NH3+])c2ccccc2)cc1 ZINC000415048252 499857763 /nfs/dbraw/zinc/85/77/63/499857763.db2.gz GAPROJRKPUMWAN-JXFKEZNVSA-N 2 0 355.482 3.482 20 0 FGADRP C[C@@H]1C[N@H+](Cc2cn(-c3ccccc3)nc2-c2cccnc2)C[C@@]1(C)C[NH3+] ZINC000415052526 499858552 /nfs/dbraw/zinc/85/85/52/499858552.db2.gz ICWKLKWKWCXDIF-VGOFRKELSA-N 2 0 361.493 3.351 20 0 FGADRP COc1ccc(CC[NH2+][C@H](C)C[C@@H]2CCCCC[NH2+]2)c(OC)c1OC ZINC000415075309 499860865 /nfs/dbraw/zinc/86/08/65/499860865.db2.gz BGOPMCMJKNYDIA-WBVHZDCISA-N 2 0 350.503 3.155 20 0 FGADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1cccc(CN2CCO[C@@H](C)C2)c1 ZINC000415087119 499862262 /nfs/dbraw/zinc/86/22/62/499862262.db2.gz UAEHVWZFZIOVFL-DXIQSLLYSA-N 2 0 359.558 3.308 20 0 FGADRP [NH3+][C@H]1CCCO[C@H]1C1CC[NH+](Cc2ccc(OC(F)F)c(F)c2)CC1 ZINC000415106578 499864437 /nfs/dbraw/zinc/86/44/37/499864437.db2.gz JTKUYZIDUQMKJU-RDJZCZTQSA-N 2 0 358.404 3.145 20 0 FGADRP [NH3+][C@H]1CCO[C@H](C2CC[NH+](Cc3c(F)cccc3N3CCCC3)CC2)C1 ZINC000415124690 499866942 /nfs/dbraw/zinc/86/69/42/499866942.db2.gz NAQUIXNLIAWIRH-UWJYYQICSA-N 2 0 361.505 3.144 20 0 FGADRP [NH3+][C@@H]1CCO[C@H](C2CC[NH+](Cc3ccc(OC(F)(F)F)cc3)CC2)C1 ZINC000415127277 499867501 /nfs/dbraw/zinc/86/75/01/499867501.db2.gz QTGXHFANUCJVCG-WBVHZDCISA-N 2 0 358.404 3.304 20 0 FGADRP [NH3+][C@H]1CCO[C@H](C2CC[NH+](Cc3ccc(OC(F)F)c(F)c3)CC2)C1 ZINC000415131609 499868156 /nfs/dbraw/zinc/86/81/56/499868156.db2.gz ZTDCWJKAKGPXAD-YOEHRIQHSA-N 2 0 358.404 3.145 20 0 FGADRP C[C@H](Cc1ccc(F)cc1)[NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1 ZINC000415140280 499869528 /nfs/dbraw/zinc/86/95/28/499869528.db2.gz YKMCAGXBKGYYJO-GOSISDBHSA-N 2 0 355.501 3.340 20 0 FGADRP CCc1cccc(F)c1C[NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1 ZINC000415139534 499869620 /nfs/dbraw/zinc/86/96/20/499869620.db2.gz XJEVNZKQVSRCRW-UHFFFAOYSA-N 2 0 355.501 3.471 20 0 FGADRP CC(C)(CCC[NH3+])NC(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000415306765 499885066 /nfs/dbraw/zinc/88/50/66/499885066.db2.gz IHLDCMOEOXGATO-UHFFFAOYSA-N 2 0 362.518 3.190 20 0 FGADRP CC1CC[NH+](CCc2cccc(NC(=O)N[C@H](C[NH3+])C(C)(C)C)c2)CC1 ZINC000415395527 499891231 /nfs/dbraw/zinc/89/12/31/499891231.db2.gz SJQPOHADLRXHCK-LJQANCHMSA-N 2 0 360.546 3.456 20 0 FGADRP CC(C)[N@@H+](Cc1ccc(NC(=O)N2CC[C@@H]([NH3+])C2)cc1)C[C@@H]1CCCCO1 ZINC000415413987 499892426 /nfs/dbraw/zinc/89/24/26/499892426.db2.gz ZHYRQFIMSHCUHJ-QUCCMNQESA-N 2 0 374.529 3.031 20 0 FGADRP C[NH+](C)[C@@H]1CCc2cc(NC(=O)N3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)ccc21 ZINC000415781822 499918453 /nfs/dbraw/zinc/91/84/53/499918453.db2.gz DLJBOCKHOQMFHW-SQGPQFPESA-N 2 0 356.514 3.089 20 0 FGADRP O=C(Nc1ccc2c(c1)C[NH2+]CC2)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000415880227 499923810 /nfs/dbraw/zinc/92/38/10/499923810.db2.gz FEDBQUHUQXWUPF-GOSISDBHSA-N 2 0 370.541 3.452 20 0 FGADRP C[NH2+]Cc1ccccc1NC(=O)N(CC[NH+](C)C)Cc1cccc(F)c1 ZINC000415903841 499926392 /nfs/dbraw/zinc/92/63/92/499926392.db2.gz QZAAETQKTFFCKK-UHFFFAOYSA-N 2 0 358.461 3.141 20 0 FGADRP C[NH2+]Cc1cccc(NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)c1 ZINC000415931046 499929870 /nfs/dbraw/zinc/92/98/70/499929870.db2.gz LFPPUUXMLSATFY-UZLBHIALSA-N 2 0 352.482 3.191 20 0 FGADRP CC[NH2+]Cc1ccccc1NC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000415933286 499930193 /nfs/dbraw/zinc/93/01/93/499930193.db2.gz PKLKUXPNACMQEE-PMACEKPBSA-N 2 0 352.482 3.363 20 0 FGADRP C[NH2+]Cc1cccc(NC(=O)N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000415946188 499931758 /nfs/dbraw/zinc/93/17/58/499931758.db2.gz SYRMOMUJJRNOHF-HXUWFJFHSA-N 2 0 366.509 3.392 20 0 FGADRP CC[NH2+]Cc1ccccc1NC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000415950700 499932510 /nfs/dbraw/zinc/93/25/10/499932510.db2.gz HQUCGBXDEQYGSE-XLIONFOSSA-N 2 0 356.514 3.277 20 0 FGADRP C[N@H+](Cc1ccccc1)[C@H](CNC(=O)Nc1ccc(C[NH3+])cc1)C1CC1 ZINC000415963565 499934312 /nfs/dbraw/zinc/93/43/12/499934312.db2.gz VFYITHPVNCCTQV-HXUWFJFHSA-N 2 0 352.482 3.177 20 0 FGADRP CC1CC[NH+](CCCCNC(=O)Nc2ccc3c(c2F)CC[NH2+]C3)CC1 ZINC000415964662 499934418 /nfs/dbraw/zinc/93/44/18/499934418.db2.gz XWTPNVZKGGHATQ-UHFFFAOYSA-N 2 0 362.493 3.105 20 0 FGADRP CCC[N@H+](CC)C[C@H](C)NC(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000415967336 499934991 /nfs/dbraw/zinc/93/49/91/499934991.db2.gz HRIXXRQMULVUIT-LBPRGKRZSA-N 2 0 360.424 3.406 20 0 FGADRP C[NH2+]Cc1ccc(NC(=O)N[C@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)cc1 ZINC000415974185 499935908 /nfs/dbraw/zinc/93/59/08/499935908.db2.gz QERVMCLSMOGZHF-JXFKEZNVSA-N 2 0 352.482 3.363 20 0 FGADRP C[C@H](CNC(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1)C[NH+]1CCCCC1 ZINC000415973517 499935982 /nfs/dbraw/zinc/93/59/82/499935982.db2.gz QQADVAYROVXOHN-CYBMUJFWSA-N 2 0 372.435 3.408 20 0 FGADRP [NH3+]Cc1ccc(NC(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)cc1 ZINC000415983386 499937076 /nfs/dbraw/zinc/93/70/76/499937076.db2.gz ZKRBLYQBSCDCJF-MRXNPFEDSA-N 2 0 358.511 3.241 20 0 FGADRP C[C@@H]1CN(C(=O)Nc2ccc3c(c2)C[NH2+]C3)CC[N@H+](Cc2ccccc2)C1 ZINC000415985017 499937433 /nfs/dbraw/zinc/93/74/33/499937433.db2.gz AGQMJVIEJSRCRR-KRWDZBQOSA-N 2 0 364.493 3.276 20 0 FGADRP C[NH2+]Cc1ccc(NC(=O)N2CC[N@H+](Cc3ccccc3)C[C@@H](C)C2)cc1 ZINC000415984557 499937454 /nfs/dbraw/zinc/93/74/54/499937454.db2.gz PVXWZTDYEZAWLF-GOSISDBHSA-N 2 0 366.509 3.392 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N1CCCC[C@@H]1[C@H]1CCC[NH2+]C1 ZINC000417037810 499955033 /nfs/dbraw/zinc/95/50/33/499955033.db2.gz IRQWWRBXNISLKV-HSALFYBXSA-N 2 0 364.578 3.205 20 0 FGADRP C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(C(=O)CC[N@@H+]2CCc3ccccc3C2)C1 ZINC000416146355 499957670 /nfs/dbraw/zinc/95/76/70/499957670.db2.gz UIXQIIXIEMRTHB-KNKQGSTJSA-N 2 0 369.553 3.299 20 0 FGADRP C[N@H+](Cc1ccccc1CNC(=O)NCC[C@@H]1CC[NH2+]C1)C1CCCCC1 ZINC000417225110 500010184 /nfs/dbraw/zinc/01/01/84/500010184.db2.gz RYHXBAYPQWSWGB-SFHVURJKSA-N 2 0 372.557 3.250 20 0 FGADRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCCC[C@H]2[C@H]2CCC[NH2+]C2)C1 ZINC000417236579 500014047 /nfs/dbraw/zinc/01/40/47/500014047.db2.gz GDGYHVKFRYAEAZ-QYZOEREBSA-N 2 0 364.578 3.061 20 0 FGADRP CC[C@H](C(=O)N[C@H](c1ccc(F)c(F)c1)C(C)(C)[NH+]1CCCC1)[NH+](C)C ZINC000413681975 500022884 /nfs/dbraw/zinc/02/28/84/500022884.db2.gz FRAGXLOPGYPCJG-QZTJIDSGSA-N 2 0 367.484 3.337 20 0 FGADRP [NH3+]C[C@@H](NC(=O)NCC1CC[NH+](Cc2ccccc2)CC1)C1CCCCC1 ZINC000417291248 500030044 /nfs/dbraw/zinc/03/00/44/500030044.db2.gz DWWSHZKQGPHLTI-OAQYLSRUSA-N 2 0 372.557 3.105 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)N[C@@H](C)CC[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000417292338 500030452 /nfs/dbraw/zinc/03/04/52/500030452.db2.gz CHZUNQOEDUIRRM-BBRMVZONSA-N 2 0 374.451 3.125 20 0 FGADRP CC[NH+]1CCC(N2CCC[N@H+](Cc3c[nH]nc3-c3ccccc3)CC2)CC1 ZINC000421380433 500032223 /nfs/dbraw/zinc/03/22/23/500032223.db2.gz VTQVWOGQDJFPSW-UHFFFAOYSA-N 2 0 367.541 3.069 20 0 FGADRP CC[NH+]1CCN(c2ccccc2C[NH2+]C[C@@H]2CC23CCSCC3)CC1 ZINC000421393565 500036220 /nfs/dbraw/zinc/03/62/20/500036220.db2.gz YLJOQGWLTUGJOR-IBGZPJMESA-N 2 0 359.583 3.451 20 0 FGADRP CC[NH+](CC)[C@H](C(=O)N[C@@H]1CCC[C@H]1C[NH3+])c1cccc(C(F)(F)F)c1 ZINC000429269122 500038993 /nfs/dbraw/zinc/03/89/93/500038993.db2.gz UPYUYMQRLWATNQ-UAGQMJEPSA-N 2 0 371.447 3.332 20 0 FGADRP C[C@@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)[C@@H]1C[C@H]1c1cccs1 ZINC000417348787 500046233 /nfs/dbraw/zinc/04/62/33/500046233.db2.gz ZFXHEUCYBILSTJ-BPQIPLTHSA-N 2 0 356.539 3.177 20 0 FGADRP CC(C)C[C@H](C[NH3+])NC(=O)c1cccc(C[N@H+](C)Cc2ccccc2)c1 ZINC000429312045 500049725 /nfs/dbraw/zinc/04/97/25/500049725.db2.gz ASKZAHGDWDKXMH-OAQYLSRUSA-N 2 0 353.510 3.422 20 0 FGADRP C[C@@H]([NH3+])c1ccc(CNC(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)cc1 ZINC000416791201 500121504 /nfs/dbraw/zinc/12/15/04/500121504.db2.gz WAALPXYIBXOSIA-UTKZUKDTSA-N 2 0 366.509 3.343 20 0 FGADRP O=C(NCC[NH2+]C1CCCCCC1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000416795635 500122454 /nfs/dbraw/zinc/12/24/54/500122454.db2.gz UJCKWBWXFPBYME-UHFFFAOYSA-N 2 0 372.557 3.263 20 0 FGADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H](C)c2csc(-c3ccccc3)n2)CC1 ZINC000414066073 500142662 /nfs/dbraw/zinc/14/26/62/500142662.db2.gz PDAVJEKWPIYTBX-DLBZAZTESA-N 2 0 358.555 3.487 20 0 FGADRP CC[NH+]1CCN(CCC[NH2+][C@H](C)c2csc(-c3ccccc3)n2)CC1 ZINC000414073672 500145849 /nfs/dbraw/zinc/14/58/49/500145849.db2.gz WFWLVSAXFOSDLC-QGZVFWFLSA-N 2 0 358.555 3.488 20 0 FGADRP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N2CCCC[C@@H]2[C@H](C)[NH3+])CC1 ZINC000417677192 500147065 /nfs/dbraw/zinc/14/70/65/500147065.db2.gz FPDQPRSPUJBXMJ-SQGPQFPESA-N 2 0 358.530 3.123 20 0 FGADRP CC[NH+](CC)Cc1ccc(CNC(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)cc1 ZINC000416893931 500149041 /nfs/dbraw/zinc/14/90/41/500149041.db2.gz YJACHSMXBNHGDJ-NRFANRHFSA-N 2 0 372.557 3.202 20 0 FGADRP CCC(CC)(CNC(=O)N1CC[C@H]([C@H](C)[NH3+])C1)[NH2+][C@@H](C)c1ccccc1 ZINC000417697766 500151021 /nfs/dbraw/zinc/15/10/21/500151021.db2.gz FEOMAYHXWPXBGE-LNLFQRSKSA-N 2 0 360.546 3.275 20 0 FGADRP C[C@@H]([NH2+]CCc1ccc(OCC[N@@H+]2C[C@H](C)[C@H](C)C2)cc1)c1ccn(C)n1 ZINC000414094191 500152257 /nfs/dbraw/zinc/15/22/57/500152257.db2.gz GIMJCMJJLMTCAF-CEXWTWQISA-N 2 0 370.541 3.280 20 0 FGADRP CCC(CC)(CNC(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1)[NH2+][C@H](C)c1ccccc1 ZINC000417706494 500153683 /nfs/dbraw/zinc/15/36/83/500153683.db2.gz PAZOECGQBGNOOF-YZGWKJHDSA-N 2 0 372.557 3.147 20 0 FGADRP C[N@@H+]1CCC[C@@H](CC[NH2+]CCC(=O)Nc2cccc(C(F)(F)F)c2)C1 ZINC000573359274 506179235 /nfs/dbraw/zinc/17/92/35/506179235.db2.gz SYSBAVPSRKSZNQ-AWEZNQCLSA-N 2 0 357.420 3.356 20 0 FGADRP CC(C)[C@H](C[NH2+][C@@H](C)Cc1ccc(F)cc1Cl)N1CC[NH+](C)CC1 ZINC000421821402 500159655 /nfs/dbraw/zinc/15/96/55/500159655.db2.gz REOXHIHONGRXKV-KXBFYZLASA-N 2 0 355.929 3.272 20 0 FGADRP C[NH2+]C[C@H](C)CNC(=O)NCc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000416952535 500164912 /nfs/dbraw/zinc/16/49/12/500164912.db2.gz GWCJRFHZVPAURB-KRWDZBQOSA-N 2 0 368.525 3.070 20 0 FGADRP COC1([C@H](C)[NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)CCCCC1 ZINC000421862999 500165583 /nfs/dbraw/zinc/16/55/83/500165583.db2.gz WXQFOLQFALQPCT-IBGZPJMESA-N 2 0 360.542 3.341 20 0 FGADRP C[C@@H]([NH3+])C1CCN(C(=O)NCc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)CC1 ZINC000416969115 500169412 /nfs/dbraw/zinc/16/94/12/500169412.db2.gz KEZJBEGZYFNCRP-QZTJIDSGSA-N 2 0 372.557 3.187 20 0 FGADRP C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)NCC[C@H]2CCC[NH2+]C2)C1 ZINC000416972369 500171703 /nfs/dbraw/zinc/17/17/03/500171703.db2.gz RRVFISJZHDCZKL-RBUKOAKNSA-N 2 0 372.557 3.107 20 0 FGADRP CCCN(C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@H]1C)[C@H]1CC[NH2+]C1 ZINC000416978465 500173101 /nfs/dbraw/zinc/17/31/01/500173101.db2.gz RJJWSCBUZHFYQD-NQIIRXRSSA-N 2 0 372.557 3.345 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)N(C)CC(C)(C)C[NH3+] ZINC000416976925 500173129 /nfs/dbraw/zinc/17/31/29/500173129.db2.gz OTXACJVUXHHKFK-QGZVFWFLSA-N 2 0 360.546 3.187 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)N3CCC(C[NH3+])CC3)cc2)C1 ZINC000416987741 500176122 /nfs/dbraw/zinc/17/61/22/500176122.db2.gz KKPMMWJEYJTLMW-HDICACEKSA-N 2 0 372.557 3.045 20 0 FGADRP C[C@@H]1C[C@@H](NC(=O)NC[C@H]([NH3+])c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000417826281 500180109 /nfs/dbraw/zinc/18/01/09/500180109.db2.gz BZMFAKQSQGUABI-QMMLZNLJSA-N 2 0 366.509 3.039 20 0 FGADRP CC(C)[C@H](CNC(=O)NCc1ccc([C@H](C)[NH3+])cc1)[NH+]1CCC(C)CC1 ZINC000417009919 500183519 /nfs/dbraw/zinc/18/35/19/500183519.db2.gz OASDTFWZGJZOIG-PXNSSMCTSA-N 2 0 360.546 3.262 20 0 FGADRP C[C@@H]1C[C@H](NC(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)CC[N@@H+]1Cc1ccccc1 ZINC000417852486 500184528 /nfs/dbraw/zinc/18/45/28/500184528.db2.gz ZKTRXQMRZQHTIC-ANTGDGSKSA-N 2 0 372.557 3.104 20 0 FGADRP C[N@H+](CCCNC(=O)N1CCCC[C@H]1[C@H]1CCC[NH2+]C1)C1CCCCC1 ZINC000417023735 500186378 /nfs/dbraw/zinc/18/63/78/500186378.db2.gz WJFKWHAWCANJGJ-ICSRJNTNSA-N 2 0 364.578 3.205 20 0 FGADRP CC(C)C[C@H](CNC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1)[NH2+][C@H](C)c1ccccc1 ZINC000417876334 500189713 /nfs/dbraw/zinc/18/97/13/500189713.db2.gz OYYFOAYDJPGUJW-CWJKEVGVSA-N 2 0 372.557 3.003 20 0 FGADRP CCC1(CNC(=O)N2CC[C@@](C)(C[NH3+])C2)CC[NH+](Cc2ccccc2)CC1 ZINC000417928644 500199379 /nfs/dbraw/zinc/19/93/79/500199379.db2.gz RIXGQMKTKYCHMV-NRFANRHFSA-N 2 0 372.557 3.059 20 0 FGADRP CC1(C(=O)N2CCC([NH2+]CC3CC3)CC2)CC[NH+](Cc2ccccc2)CC1 ZINC000579470412 506182915 /nfs/dbraw/zinc/18/29/15/506182915.db2.gz FBEDLOQQQLMCMJ-UHFFFAOYSA-N 2 0 369.553 3.279 20 0 FGADRP CC1CC[NH+](Cc2ccccc2CNC(=O)NCC[C@H]2CCC[NH2+]C2)CC1 ZINC000418062663 500224453 /nfs/dbraw/zinc/22/44/53/500224453.db2.gz GQVSVYDHEBVCKT-LJQANCHMSA-N 2 0 372.557 3.107 20 0 FGADRP CC[C@H](C)CNC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC000422222205 500236640 /nfs/dbraw/zinc/23/66/40/500236640.db2.gz DJKVDBQEQIRNEP-YTQUADARSA-N 2 0 352.567 3.011 20 0 FGADRP CN(C(=O)NC1CCC([NH+](C)C)CC1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000422244084 500240630 /nfs/dbraw/zinc/24/06/30/500240630.db2.gz JLWXSKWVHLXOHN-XVAXZDLZSA-N 2 0 372.557 3.165 20 0 FGADRP CC[C@H](C)[NH2+][C@@H](CNC(=O)NCc1ccc([C@@H](C)[NH3+])cc1)c1ccco1 ZINC000418171355 500242007 /nfs/dbraw/zinc/24/20/07/500242007.db2.gz UPYFGCIDNWVJPK-DAYGRLMNSA-N 2 0 358.486 3.228 20 0 FGADRP CCC[N@H+](C)[C@H](CNC(=O)N1C[C@H](C[NH3+])C[C@H]1C)c1ccc(Cl)cc1 ZINC000418177567 500243594 /nfs/dbraw/zinc/24/35/94/500243594.db2.gz HUXIRGXIDDBEIC-RVKKMQEKSA-N 2 0 366.937 3.102 20 0 FGADRP CCC[N@H+](C)[C@H](CNC(=O)N[C@H]1CC[NH2+][C@H](C)C1)c1ccc(Cl)cc1 ZINC000418188962 500245895 /nfs/dbraw/zinc/24/58/95/500245895.db2.gz VBUWOQJKUCQJAX-FHLIZLRMSA-N 2 0 366.937 3.163 20 0 FGADRP CCC[N@H+](C)[C@H](CNC(=O)NC1CCC([NH3+])CC1)c1ccc(Cl)cc1 ZINC000418189212 500245957 /nfs/dbraw/zinc/24/59/57/500245957.db2.gz VDCFMKGYQRZPCK-DAWZGUTISA-N 2 0 366.937 3.292 20 0 FGADRP [NH3+]C[C@H](NC(=O)NCCCCC[NH+]1CCCC1)c1ccc2ccccc2c1 ZINC000418218152 500251056 /nfs/dbraw/zinc/25/10/56/500251056.db2.gz OIOQUXGJCANAGC-NRFANRHFSA-N 2 0 368.525 3.405 20 0 FGADRP CCc1ccc([C@H](CNC(=O)N2CC[C@H]([C@@H](C)[NH3+])C2)[NH+](CC)CC)cc1 ZINC000418223747 500251787 /nfs/dbraw/zinc/25/17/87/500251787.db2.gz YZLLRCORUTZWBW-UXPWSPDFSA-N 2 0 360.546 3.011 20 0 FGADRP CC[NH2+]CC1CC[NH+](Cc2csc(-c3ccc4c(c3)OCO4)n2)CC1 ZINC000430572014 500256257 /nfs/dbraw/zinc/25/62/57/500256257.db2.gz IYVWJMPIJVJVJA-UHFFFAOYSA-N 2 0 359.495 3.360 20 0 FGADRP [NH3+]C[C@H](NC(=O)NCC1([NH3+])CCCCCC1)c1ccc2ccccc2c1 ZINC000418290096 500259523 /nfs/dbraw/zinc/25/95/23/500259523.db2.gz ZMEQRJUYPSRSET-IBGZPJMESA-N 2 0 354.498 3.191 20 0 FGADRP Cc1ccc([C@H]([NH3+])C(=O)Nc2ccc(OCC[N@H+]3CC[C@@H](C)C3)cc2)cc1 ZINC000430606487 500261799 /nfs/dbraw/zinc/26/17/99/500261799.db2.gz VYRDHVFRYKJRTR-UTKZUKDTSA-N 2 0 367.493 3.354 20 0 FGADRP Cc1ccc([C@H]([NH3+])C(=O)NCc2ccccc2C[NH+]2CCCCC2)cc1 ZINC000430614761 500262347 /nfs/dbraw/zinc/26/23/47/500262347.db2.gz AASOJNVXBYBNLK-NRFANRHFSA-N 2 0 351.494 3.297 20 0 FGADRP C[C@@H](c1ccc2ccccc2c1)[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430642360 500265341 /nfs/dbraw/zinc/26/53/41/500265341.db2.gz JZLWNKFYZZXLQQ-LAUBAEHRSA-N 2 0 351.494 3.045 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CCCc1ccc(C)s1 ZINC000430715117 500273957 /nfs/dbraw/zinc/27/39/57/500273957.db2.gz OBBFILQBORUPCF-GOSISDBHSA-N 2 0 365.587 3.254 20 0 FGADRP CCC([NH3+])(CC)CNC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000418435742 500276537 /nfs/dbraw/zinc/27/65/37/500276537.db2.gz IBGJRGMQWHFIPJ-PKOBYXMFSA-N 2 0 360.546 3.198 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)NC(C)(C)CC[NH3+])cc2)C1 ZINC000422594370 500280057 /nfs/dbraw/zinc/28/00/57/500280057.db2.gz RIJVBJIRPWOJKZ-CALCHBBNSA-N 2 0 360.546 3.091 20 0 FGADRP C[C@H]([NH3+])c1ccc(CNC(=O)N(CC[NH+](C)C)Cc2ccccc2F)cc1 ZINC000418470364 500280532 /nfs/dbraw/zinc/28/05/32/500280532.db2.gz UWSJETMXWHFBIT-INIZCTEOSA-N 2 0 372.488 3.119 20 0 FGADRP C[C@H](C[NH3+])NC(=O)N1CCCCC[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000418516060 500286528 /nfs/dbraw/zinc/28/65/28/500286528.db2.gz RIOPXHZJHKZDIM-NQIIRXRSSA-N 2 0 372.557 3.200 20 0 FGADRP C[C@H](C[NH3+])NC(=O)N1CCCCC[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000418516063 500286631 /nfs/dbraw/zinc/28/66/31/500286631.db2.gz RIOPXHZJHKZDIM-WIYYLYMNSA-N 2 0 372.557 3.200 20 0 FGADRP C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)NC[C@]2(C)CCC[NH2+]C2)CC1 ZINC000418525174 500287253 /nfs/dbraw/zinc/28/72/53/500287253.db2.gz XODPHFWVZBONKY-GHTZIAJQSA-N 2 0 364.578 3.062 20 0 FGADRP c1ccc(NCCCC[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)nc1 ZINC000422701663 500287375 /nfs/dbraw/zinc/28/73/75/500287375.db2.gz IYZZXPJXGJHFJS-RXVVDRJESA-N 2 0 352.482 3.119 20 0 FGADRP CCN(C(=O)NCC1(C)CC[NH2+]CC1)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000418526426 500287878 /nfs/dbraw/zinc/28/78/78/500287878.db2.gz ZTAODMXVQWDQBF-QUCCMNQESA-N 2 0 372.557 3.243 20 0 FGADRP COc1ccc(CC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)c(OC)c1OC ZINC000422705236 500288047 /nfs/dbraw/zinc/28/80/47/500288047.db2.gz RCTAZOBFUDAVIH-FGTMMUONSA-N 2 0 362.514 3.155 20 0 FGADRP O=C1CCCN1Cc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)cc1 ZINC000422715774 500289124 /nfs/dbraw/zinc/28/91/24/500289124.db2.gz MPTSWDPKRAAGFQ-PCCBWWKXSA-N 2 0 355.526 3.209 20 0 FGADRP [NH3+]CCCn1ccc2cc(C(=O)N3CCC[C@H]([NH+]4CCCC4)CC3)ccc21 ZINC000430812955 500289406 /nfs/dbraw/zinc/28/94/06/500289406.db2.gz YRBYUFZMXSBTJV-FQEVSTJZSA-N 2 0 368.525 3.081 20 0 FGADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]CCSCCOc1cccc(Br)c1 ZINC000422716901 500289425 /nfs/dbraw/zinc/28/94/25/500289425.db2.gz UVHUDQOFQRGXSI-OLZOCXBDSA-N 2 0 361.349 3.277 20 0 FGADRP COCC[N@H+](C)CC[C@H](N[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000422719925 500289841 /nfs/dbraw/zinc/28/98/41/500289841.db2.gz RQDAAQSGHGNCLW-FNAHDJPLSA-N 2 0 359.558 3.206 20 0 FGADRP COc1ccc(C[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1OC ZINC000422730811 500291880 /nfs/dbraw/zinc/29/18/80/500291880.db2.gz KLKDPCFGXWEXIA-UTKZUKDTSA-N 2 0 354.450 3.049 20 0 FGADRP CCOc1cc(C[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)ccc1OC ZINC000422735054 500292152 /nfs/dbraw/zinc/29/21/52/500292152.db2.gz UKAHBCRWBXEIDE-AVRDEDQJSA-N 2 0 368.477 3.439 20 0 FGADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]Cc1cccc(NC(=O)NCc2ccncc2)c1 ZINC000422737322 500292494 /nfs/dbraw/zinc/29/24/94/500292494.db2.gz XHSDADFALMGBJD-UYAOXDASSA-N 2 0 367.497 3.010 20 0 FGADRP COc1ccccc1[C@H](CN[C@@H](Cc1ccccc1)[C@H](C)[NH3+])[NH+]1CCCC1 ZINC000422749488 500293914 /nfs/dbraw/zinc/29/39/14/500293914.db2.gz ZKKWPSCLECKRGN-NYVOZVTQSA-N 2 0 367.537 3.380 20 0 FGADRP OC1CC[NH+](Cc2ccc(C[NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCCC[NH2+]3)cc2)CC1 ZINC000422746965 500294104 /nfs/dbraw/zinc/29/41/04/500294104.db2.gz XSPXGTPYSXPREL-XPWALMASSA-N 3 0 371.569 3.044 20 0 FGADRP CCOC(=O)C1([C@H](C)[NH2+][C@H](c2ccccc2)c2ccccn2)CC[NH2+]CC1 ZINC000422766867 500295391 /nfs/dbraw/zinc/29/53/91/500295391.db2.gz RKUMKLHTMCFLAK-FXAWDEMLSA-N 2 0 367.493 3.082 20 0 FGADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CCNc1ncc(Cl)cc1Cl ZINC000422775793 500296706 /nfs/dbraw/zinc/29/67/06/500296706.db2.gz CIISKZDZXRWRBD-SNVBAGLBSA-N 2 0 354.285 3.313 20 0 FGADRP Fc1ccc(OCCC[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422780812 500296809 /nfs/dbraw/zinc/29/68/09/500296809.db2.gz KQMREXHXZKUWBH-TZIWHRDSSA-N 2 0 356.441 3.440 20 0 FGADRP Cc1ccc([C@@H]([NH2+][C@H](C)CCC[NH3+])c2cccc(S(C)(=O)=O)c2)cc1 ZINC000422797973 500299174 /nfs/dbraw/zinc/29/91/74/500299174.db2.gz PGQKTYCZTCCCSD-OXQOHEQNSA-N 2 0 360.523 3.205 20 0 FGADRP CCOC(=O)C1([C@H](C)[NH2+][C@H]2CCCO[C@@H]2c2ccc(C)cc2)CC[NH2+]CC1 ZINC000422801777 500299910 /nfs/dbraw/zinc/29/99/10/500299910.db2.gz ANHOSHSMISDKMX-YSIASYRMSA-N 2 0 374.525 3.126 20 0 FGADRP CC[C@H](C[NH2+][C@@H](C)c1ccc(C[NH3+])nc1C)N1CCc2ccccc2C1 ZINC000422807525 500300390 /nfs/dbraw/zinc/30/03/90/500300390.db2.gz MNOXLYJDFRDMIX-HRAATJIYSA-N 2 0 352.526 3.336 20 0 FGADRP CC[C@H](CN[C@H](Cc1ccccc1)[C@@H](C)[NH3+])[N@@H+]1CCc2ccccc2C1 ZINC000422813414 500300902 /nfs/dbraw/zinc/30/09/02/500300902.db2.gz YCQCLGHTELJRDY-SXSPYAJSSA-N 2 0 351.538 3.371 20 0 FGADRP COc1ccc([C@H](NCc2cccc(C[NH+](C)C)c2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422810073 500301148 /nfs/dbraw/zinc/30/11/48/500301148.db2.gz RBUOIMHLMLDVRP-VXKWHMMOSA-N 2 0 353.510 3.340 20 0 FGADRP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@H]2[NH2+]Cc1ccnc(N2CCCC2)c1 ZINC000422821936 500302987 /nfs/dbraw/zinc/30/29/87/500302987.db2.gz ZHUKEKSNUFMILL-DENIHFKCSA-N 2 0 364.493 3.027 20 0 FGADRP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1ccccc1C[NH+]1CCN(c2ccccc2)CC1 ZINC000422844401 500304993 /nfs/dbraw/zinc/30/49/93/500304993.db2.gz LRNRAIHHESELQD-PMACEKPBSA-N 3 0 366.553 3.224 20 0 FGADRP COc1ccccc1N1CC[C@H](C[NH2+][C@H](C)c2ccc(C[NH3+])nc2C)C1 ZINC000422850813 500305524 /nfs/dbraw/zinc/30/55/24/500305524.db2.gz ODKAYPFCEKSDDG-NVXWUHKLSA-N 2 0 354.498 3.034 20 0 FGADRP Cc1ccc(C[NH2+][C@H](C)c2ccc(C[NH3+])nc2C)c(OC[C@H]2CCOC2)c1 ZINC000422859656 500306484 /nfs/dbraw/zinc/30/64/84/500306484.db2.gz HRBDZXHORJBTAE-AEFFLSMTSA-N 2 0 369.509 3.423 20 0 FGADRP COC[C@H](CCC[NH3+])[NH2+][C@H](C)c1cccc(NC(=O)c2ccccc2)c1 ZINC000422860846 500306540 /nfs/dbraw/zinc/30/65/40/500306540.db2.gz LXJLWEALCLCDLO-UZLBHIALSA-N 2 0 355.482 3.343 20 0 FGADRP CCOC(=O)C1([C@H](C)[NH2+]Cc2ccc(F)cc2CSC)CC[NH2+]CC1 ZINC000422862786 500307645 /nfs/dbraw/zinc/30/76/45/500307645.db2.gz KWLODVLSHXJDDH-AWEZNQCLSA-N 2 0 368.518 3.100 20 0 FGADRP COc1ccc(-c2nc(C[NH+]3CCC([C@@H](C)[NH3+])CC3)cs2)c(OC)c1 ZINC000430928882 500308381 /nfs/dbraw/zinc/30/83/81/500308381.db2.gz VRCPVXWAUCIEBS-CYBMUJFWSA-N 2 0 361.511 3.387 20 0 FGADRP C[C@H]([NH3+])C1CC[NH+](CC(=O)N[C@@H](c2cccs2)c2ccccc2)CC1 ZINC000430931031 500308950 /nfs/dbraw/zinc/30/89/50/500308950.db2.gz CCBTVDMPCSWNIS-MGPUTAFESA-N 2 0 357.523 3.013 20 0 FGADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]CC1(c2ccc(Br)cc2)CCOCC1 ZINC000422885426 500310946 /nfs/dbraw/zinc/31/09/46/500310946.db2.gz YPAPWUFRCIROPE-WMLDXEAASA-N 2 0 367.331 3.214 20 0 FGADRP C[C@@H]1CCC[N@H+](CCCC[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000422886520 500311082 /nfs/dbraw/zinc/31/10/82/500311082.db2.gz WTMVVDQJORUJQY-CBQOVEMMSA-N 3 0 357.542 3.344 20 0 FGADRP C[C@H]([NH2+]C1CCN(Cc2ccc(Br)cc2)CC1)[C@@H]1CCC[NH2+]1 ZINC000422895683 500312192 /nfs/dbraw/zinc/31/21/92/500312192.db2.gz WQCNERGSVPMASU-KSSFIOAISA-N 2 0 366.347 3.144 20 0 FGADRP CC[NH+](CC)CCOc1ccccc1C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000422895622 500312294 /nfs/dbraw/zinc/31/22/94/500312294.db2.gz WJPBAXPNNCMMOU-PWRODBHTSA-N 3 0 359.558 3.418 20 0 FGADRP CC[NH+](CC)CCOc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000422893646 500312428 /nfs/dbraw/zinc/31/24/28/500312428.db2.gz QVSQRZGVQXGPDX-BHIFYINESA-N 3 0 359.558 3.418 20 0 FGADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]CCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000422905351 500314607 /nfs/dbraw/zinc/31/46/07/500314607.db2.gz HZAPPXKGBIXIMA-VJBMBRPKSA-N 3 0 373.585 3.063 20 0 FGADRP [NH3+][C@H]1C[C@H](NCc2ccc(OCC[NH+]3CCCC3)cc2)c2ccccc21 ZINC000422908940 500315631 /nfs/dbraw/zinc/31/56/31/500315631.db2.gz DXZGFSJKPZGWCR-VXKWHMMOSA-N 2 0 351.494 3.396 20 0 FGADRP CCOC(=O)C1([C@H](C)[NH2+]CCc2c[nH]c3c2cccc3CC)CC[NH2+]CC1 ZINC000422916002 500316055 /nfs/dbraw/zinc/31/60/55/500316055.db2.gz ZOHNEMLTYCWZCV-INIZCTEOSA-N 2 0 371.525 3.184 20 0 FGADRP CCOc1ccc([C@H](C)NC(=O)CCC[NH2+][C@H]2CCCCC[C@H]2[NH3+])cc1 ZINC000422927800 500318434 /nfs/dbraw/zinc/31/84/34/500318434.db2.gz HEIMRXVEOPCEBF-DBVUQKKJSA-N 2 0 361.530 3.292 20 0 FGADRP C[C@@H]1C[NH+](Cc2ccccc2C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)C[C@@H](C)O1 ZINC000422947425 500321561 /nfs/dbraw/zinc/32/15/61/500321561.db2.gz PZUVNBVDPJFRNI-JTPPEQCGSA-N 3 0 371.569 3.306 20 0 FGADRP COc1cccc(C[C@H](C)[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000422955999 500323271 /nfs/dbraw/zinc/32/32/71/500323271.db2.gz OCNTYWCFQLERKM-AQKFKSFVSA-N 2 0 352.478 3.472 20 0 FGADRP COC[C@H](CCC[NH3+])[NH2+]C[C@@H](C)Sc1ccc(Br)cc1 ZINC000422953525 500323277 /nfs/dbraw/zinc/32/32/77/500323277.db2.gz FUMFANACFVQLBB-OCCSQVGLSA-N 2 0 361.349 3.273 20 0 FGADRP CCCN(C(=O)N[C@@H]1CC[C@H](C[NH3+])C1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000418788880 500323561 /nfs/dbraw/zinc/32/35/61/500323561.db2.gz LMSPVGSJNMROJC-PWRODBHTSA-N 2 0 372.557 3.200 20 0 FGADRP O=C(C[NH+]1CCC2(CC[NH2+]C2)CC1)Nc1ccc(Oc2ccccc2)cc1 ZINC000431018180 500324041 /nfs/dbraw/zinc/32/40/41/500324041.db2.gz VCLKMTUYJNFDMD-UHFFFAOYSA-N 2 0 365.477 3.493 20 0 FGADRP C[C@@H](NC(=O)C[NH+]1CCC2(CC[NH2+]C2)CC1)c1cccc2ccccc21 ZINC000431024693 500325647 /nfs/dbraw/zinc/32/56/47/500325647.db2.gz MEUQUDHYEHRANV-QGZVFWFLSA-N 2 0 351.494 3.093 20 0 FGADRP C[C@@H]1C[C@H](CC[NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)C[N@@H+]1Cc1ccccc1 ZINC000423005957 500330479 /nfs/dbraw/zinc/33/04/79/500330479.db2.gz TVNDWDAGKCNPDK-ZADIZFFCSA-N 3 0 371.569 3.034 20 0 FGADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]CCCOc1ncc(C(F)(F)F)cc1Cl ZINC000423014482 500331146 /nfs/dbraw/zinc/33/11/46/500331146.db2.gz PFCVYYRGJZSZML-ZWNOBZJWSA-N 2 0 351.800 3.240 20 0 FGADRP C[C@H]1C[NH+](CCOc2ccc(CC[NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)cc2)C[C@@H]1C ZINC000423018317 500331898 /nfs/dbraw/zinc/33/18/98/500331898.db2.gz QTFBZHVHZYYNAM-ROQSDIHLSA-N 3 0 371.569 3.068 20 0 FGADRP CCC(CC)(C[NH2+][C@@H]1CCOC[C@@H]1[C@H](C)[NH3+])c1ccc(OC)c(OC)c1 ZINC000423044367 500334563 /nfs/dbraw/zinc/33/45/63/500334563.db2.gz BDKQDMKAYBYVBZ-CGTJXYLNSA-N 2 0 364.530 3.104 20 0 FGADRP CCN(CC[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)CCC(F)(F)F ZINC000423069927 500337945 /nfs/dbraw/zinc/33/79/45/500337945.db2.gz FKZWFSBDHYRBTQ-FUHWJXTLSA-N 2 0 371.447 3.106 20 0 FGADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@@]1(Cc2ccc(F)cc2)CCC[C@@H]1O ZINC000423071582 500338573 /nfs/dbraw/zinc/33/85/73/500338573.db2.gz FQBSSZWCBWMPMZ-RXYZOABWSA-N 2 0 371.500 3.412 20 0 FGADRP OC[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)Cc1cc(F)c(F)c(F)c1 ZINC000423079701 500340165 /nfs/dbraw/zinc/34/01/65/500340165.db2.gz YQQRDVNUNIJEOH-OSGQAZFXSA-N 2 0 370.459 3.155 20 0 FGADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+][C@H]1CCN(c2cccc(Br)c2)C1 ZINC000423088081 500340620 /nfs/dbraw/zinc/34/06/20/500340620.db2.gz PKDVDBBGMZRMLA-KMFMINBZSA-N 2 0 352.320 3.006 20 0 FGADRP CCOC(=O)C1([C@@H](C)[NH2+][C@H]2C[C@H](c3ccc(Cl)cc3)C2)CC[NH2+]CC1 ZINC000423098906 500341957 /nfs/dbraw/zinc/34/19/57/500341957.db2.gz SXMSTCMPWPSDHT-QGPMSJSTSA-N 2 0 364.917 3.497 20 0 FGADRP Cc1cc(C[NH2+][C@@H]2CC[NH2+]CC[C@@H]2C)ccc1I ZINC000423101211 500342469 /nfs/dbraw/zinc/34/24/69/500342469.db2.gz VOPVBRAELJHASJ-XHDPSFHLSA-N 2 0 358.267 3.077 20 0 FGADRP C[C@@H]([NH2+]C[C@H](c1ccc(Cl)cc1)N(C)CCC(F)(F)F)C1C[NH2+]C1 ZINC000423106158 500343031 /nfs/dbraw/zinc/34/30/31/500343031.db2.gz OKYMCYHNKXFATO-MLGOLLRUSA-N 2 0 363.855 3.463 20 0 FGADRP CCc1ccc([C@@H](CN2CCOCC2)[NH2+]Cc2ccc([C@H](C)[NH3+])cc2)cc1 ZINC000423292337 500361799 /nfs/dbraw/zinc/36/17/99/500361799.db2.gz MPLSISIUIJNRHM-FDDCHVKYSA-N 2 0 367.537 3.432 20 0 FGADRP C[C@H]([NH2+]CC1(C)CC[NH2+]CC1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000423324655 500364655 /nfs/dbraw/zinc/36/46/55/500364655.db2.gz IUYGERZYHRLRPQ-INIZCTEOSA-N 2 0 364.555 3.443 20 0 FGADRP C[C@@H]([NH2+]CC1(C)CC[NH2+]CC1)c1ccc(I)cc1 ZINC000423338732 500365432 /nfs/dbraw/zinc/36/54/32/500365432.db2.gz UVGHDIQXIDKJIN-GFCCVEGCSA-N 2 0 358.267 3.332 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC000427197398 500365724 /nfs/dbraw/zinc/36/57/24/500365724.db2.gz CPNOXWGZCBBILI-UYAOXDASSA-N 2 0 357.542 3.135 20 0 FGADRP C[C@H]([NH3+])c1ccc(C(=O)N(C)C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000423384783 500369070 /nfs/dbraw/zinc/36/90/70/500369070.db2.gz QMMUFUYQXUJFBM-KRWDZBQOSA-N 2 0 351.494 3.443 20 0 FGADRP C[C@H](CNC(=O)C(C)(C)[C@H]([NH3+])c1ccccc1)[N@H+](C)Cc1ccccc1 ZINC000423400519 500370333 /nfs/dbraw/zinc/37/03/33/500370333.db2.gz FOSCDYSKVFWAHJ-YLJYHZDGSA-N 2 0 353.510 3.349 20 0 FGADRP COCC1(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)CC[NH2+]CC1 ZINC000423397902 500370648 /nfs/dbraw/zinc/37/06/48/500370648.db2.gz CJMPTKGWPROVLY-VSKRKVRLSA-N 3 0 371.569 3.035 20 0 FGADRP COCC1(C[NH2+][C@@H]2CCCc3c(Br)cccc32)CC[NH2+]CC1 ZINC000423409442 500371693 /nfs/dbraw/zinc/37/16/93/500371693.db2.gz QBVWYXZQZWKMPO-QGZVFWFLSA-N 2 0 367.331 3.432 20 0 FGADRP COC[C@@]1(CN[C@H](Cc2cccnc2)c2ccc(Cl)cc2)CCC[NH2+]1 ZINC000423408886 500371801 /nfs/dbraw/zinc/37/18/01/500371801.db2.gz BAZOUUGKNTZPBE-UXHICEINSA-N 2 0 359.901 3.377 20 0 FGADRP COC[C@]1(CN[C@H](Cc2cccnc2)c2ccc(Cl)cc2)CCC[NH2+]1 ZINC000423408888 500372009 /nfs/dbraw/zinc/37/20/09/500372009.db2.gz BAZOUUGKNTZPBE-WOJBJXKFSA-N 2 0 359.901 3.377 20 0 FGADRP COC[C@]1(C[NH2+][C@@H]2CCCC[C@@H]2c2ccc(OC)c(F)c2)CCC[NH2+]1 ZINC000423414843 500372160 /nfs/dbraw/zinc/37/21/60/500372160.db2.gz CPLUWTKCWWFVOW-YVWKXTFCSA-N 2 0 350.478 3.219 20 0 FGADRP C[C@H](CCCC[NH3+])[NH2+][C@@H](C)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000423426236 500373436 /nfs/dbraw/zinc/37/34/36/500373436.db2.gz HMCRBBKJVGZXPZ-SJORKVTESA-N 2 0 367.559 3.029 20 0 FGADRP C[N@H+](CCNC(=O)C(C)(C)[C@H]([NH3+])c1ccccc1)Cc1ccc(F)cc1 ZINC000423436623 500374856 /nfs/dbraw/zinc/37/48/56/500374856.db2.gz PXSGGOFUUWFDIL-LJQANCHMSA-N 2 0 357.473 3.100 20 0 FGADRP C[C@@H]([NH2+]C[C@H]1NCCc2ccccc21)c1ccc(OCC[NH+](C)C)cc1 ZINC000423445798 500375515 /nfs/dbraw/zinc/37/55/15/500375515.db2.gz YQSBCLNBLOEIEH-VGOFRKELSA-N 2 0 353.510 3.165 20 0 FGADRP Fc1ccc([C@@H]2CC[NH2+]C[C@@H]2CN[C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)cc1 ZINC000423473750 500377180 /nfs/dbraw/zinc/37/71/80/500377180.db2.gz NXXOSGBPDPQWJV-ZQOQTTQJSA-N 2 0 359.533 3.419 20 0 FGADRP CC[C@@H]([NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)C1(C(=O)OC)CCC1 ZINC000423479814 500377978 /nfs/dbraw/zinc/37/79/78/500377978.db2.gz VCUCWTLXXYQMAI-QXAKKESOSA-N 2 0 362.489 3.230 20 0 FGADRP C[C@H]([NH2+][C@H]1CC[C@@H](C[NH3+])C1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000423487696 500378263 /nfs/dbraw/zinc/37/82/63/500378263.db2.gz CUMHYTOWRKUJDQ-UXLLHSPISA-N 2 0 350.528 3.181 20 0 FGADRP c1ccc2c(c1)[nH]c1c2CCC[C@@H]1[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000423502599 500379849 /nfs/dbraw/zinc/37/98/49/500379849.db2.gz CZTWEBGUCHQYBV-BPZDKFOGSA-N 2 0 352.526 3.351 20 0 FGADRP C[C@H](Cc1ccccc1C(F)(F)F)[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000423506915 500379894 /nfs/dbraw/zinc/37/98/94/500379894.db2.gz JAWKRWDGAYNUOD-FAEJEUNOSA-N 2 0 369.475 3.442 20 0 FGADRP C[C@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)c1cccc(OC(F)F)c1 ZINC000423503758 500380141 /nfs/dbraw/zinc/38/01/41/500380141.db2.gz GAAGEYSRMWUYMI-OOHWJJMZSA-N 2 0 353.457 3.155 20 0 FGADRP CC(C)[C@@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)c1ccc2[nH]c(=O)oc2c1 ZINC000423510237 500380488 /nfs/dbraw/zinc/38/04/88/500380488.db2.gz MJRYOQTZDUDBCN-LBXVMSDZSA-N 2 0 372.513 3.037 20 0 FGADRP C[C@H](CCc1c(F)cccc1F)[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000423509430 500380543 /nfs/dbraw/zinc/38/05/43/500380543.db2.gz MGCRBWZZGDTBMJ-KLAILNCOSA-N 2 0 351.485 3.092 20 0 FGADRP C[C@@H](CCc1c(F)cccc1F)[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000423509429 500380636 /nfs/dbraw/zinc/38/06/36/500380636.db2.gz MGCRBWZZGDTBMJ-GTPINHCMSA-N 2 0 351.485 3.092 20 0 FGADRP C[C@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)c1ccc(OC(F)F)cc1 ZINC000423510151 500380719 /nfs/dbraw/zinc/38/07/19/500380719.db2.gz MFJAIQVLSJNVQJ-OOHWJJMZSA-N 2 0 353.457 3.155 20 0 FGADRP COc1ccc2c(c1)[C@@H]([NH2+]C1CCC([NH+]3CCNCC3)CC1)CCS2 ZINC000423523273 500381812 /nfs/dbraw/zinc/38/18/12/500381812.db2.gz VRKSCYBHSHKREW-RJYAGPCLSA-N 2 0 361.555 3.038 20 0 FGADRP C[C@H]([NH2+]CCC1=CC[NH2+]CC1)c1ccc(I)cc1 ZINC000423545053 500383480 /nfs/dbraw/zinc/38/34/80/500383480.db2.gz DPAZLKYWNWINRC-LBPRGKRZSA-N 2 0 356.251 3.252 20 0 FGADRP COc1ccc([C@H](Cc2ccncc2)[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000423543584 500383573 /nfs/dbraw/zinc/38/35/73/500383573.db2.gz NIFQXYJRLOMOMK-HIUFNZKISA-N 2 0 351.494 3.352 20 0 FGADRP Cc1nc(C)c([C@@H](C)[NH2+]CC2(N)CC[NH+](Cc3ccccc3)CC2)s1 ZINC000423543970 500383883 /nfs/dbraw/zinc/38/38/83/500383883.db2.gz CAACOUHJPQWUGC-OAHLLOKOSA-N 2 0 358.555 3.404 20 0 FGADRP CO[C@@H](c1ccccc1)[C@@H](C)[NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1 ZINC000423540660 500383893 /nfs/dbraw/zinc/38/38/93/500383893.db2.gz ABFSGYYNKZSATL-DENIHFKCSA-N 2 0 367.537 3.346 20 0 FGADRP C[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)c1ccc(I)cc1 ZINC000423553187 500384358 /nfs/dbraw/zinc/38/43/58/500384358.db2.gz VWDHQXIVOQBLPW-YYWXWVFPSA-N 2 0 370.278 3.330 20 0 FGADRP CC(C)CO[C@@H]1C[C@@H]([NH2+]CC2(N)CC[NH+](Cc3ccccc3)CC2)C1(C)C ZINC000423561960 500385080 /nfs/dbraw/zinc/38/50/80/500385080.db2.gz KAHIMZZYLLFRGB-NHCUHLMSSA-N 2 0 373.585 3.409 20 0 FGADRP CC[C@@H](C(=O)Nc1ccc2c(c1F)CC[NH2+]C2)[N@H+](C)Cc1ccccc1 ZINC000423658548 500392423 /nfs/dbraw/zinc/39/24/23/500392423.db2.gz XVUHETMEKQCADK-IBGZPJMESA-N 2 0 355.457 3.321 20 0 FGADRP CC[C@H](C(=O)Nc1ccc2c(c1F)CC[NH2+]C2)[N@H+](C)Cc1ccccc1 ZINC000423658549 500392432 /nfs/dbraw/zinc/39/24/32/500392432.db2.gz XVUHETMEKQCADK-LJQANCHMSA-N 2 0 355.457 3.321 20 0 FGADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)[C@@H](C)[C@@H]([NH3+])c1ccccc1 ZINC000423738189 500398150 /nfs/dbraw/zinc/39/81/50/500398150.db2.gz FURQESHPBUUWDT-LAUBAEHRSA-N 2 0 353.510 3.433 20 0 FGADRP C[C@@H]([NH3+])c1ccc(C(=O)N2CCC[N@H+](CCCc3ccccc3)CC2)cc1 ZINC000423749324 500398738 /nfs/dbraw/zinc/39/87/38/500398738.db2.gz RNEQJPGKTXHNMU-LJQANCHMSA-N 2 0 365.521 3.487 20 0 FGADRP C[C@H]([NH3+])c1ccc(C(=O)N(CCCc2ccccc2)CC[NH+](C)C)cc1 ZINC000423754859 500399682 /nfs/dbraw/zinc/39/96/82/500399682.db2.gz ZFQGDDCGXOICMY-SFHVURJKSA-N 2 0 353.510 3.343 20 0 FGADRP C[C@@H](C(=O)N1CCC(CCC[NH+]2CCCC2)CC1)[C@H]([NH3+])c1ccccc1 ZINC000423792642 500402133 /nfs/dbraw/zinc/40/21/33/500402133.db2.gz ICHNAGKKWQPYNV-NQIIRXRSSA-N 2 0 357.542 3.437 20 0 FGADRP CC(C)C[NH+]1CCN(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000431671970 500406471 /nfs/dbraw/zinc/40/64/71/500406471.db2.gz WKGBSLXPZAGAFK-PZJWPPBQSA-N 2 0 372.557 3.023 20 0 FGADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000431681531 500407781 /nfs/dbraw/zinc/40/77/81/500407781.db2.gz MVHPXRQBFHFGGF-OKYOBFRVSA-N 2 0 352.567 3.059 20 0 FGADRP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)c2ccc([C@H](C)[NH3+])cc2)CC1 ZINC000423855237 500412587 /nfs/dbraw/zinc/41/25/87/500412587.db2.gz VNBZODCLEHIRLY-JKSUJKDBSA-N 2 0 352.482 3.057 20 0 FGADRP CC(C)[C@H](C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1)[C@H](C)[NH3+] ZINC000423917973 500419194 /nfs/dbraw/zinc/41/91/94/500419194.db2.gz ZRORKTWXNMFHGS-KCLUMXDGSA-N 2 0 357.542 3.119 20 0 FGADRP CC1CCC(O)(C[NH+]2CCC(CC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)CC1 ZINC000427675930 500419839 /nfs/dbraw/zinc/41/98/39/500419839.db2.gz BRBDEIJPHCCWMF-XTBIFASLSA-N 2 0 352.563 3.139 20 0 FGADRP C[N@@H+]1CCCC[C@@H]1CCC(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000431755231 500420575 /nfs/dbraw/zinc/42/05/75/500420575.db2.gz QSUXCUYDFAVVTI-HXUWFJFHSA-N 2 0 361.505 3.171 20 0 FGADRP CCc1ccccc1[C@@H]([NH3+])CNC(=O)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000423939064 500421484 /nfs/dbraw/zinc/42/14/84/500421484.db2.gz LKMNHKGBKIRWNO-LEWJYISDSA-N 2 0 351.494 3.030 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)CC[C@H]1CCCC[NH+]1C ZINC000431796902 500426112 /nfs/dbraw/zinc/42/61/12/500426112.db2.gz VPCPAMDMUSYFLB-TZIWHRDSSA-N 2 0 357.542 3.374 20 0 FGADRP O=C([C@@H]1CCC[N@H+](Cc2ccccc2)C1)N1CC[NH2+]C[C@H]1c1ccccc1 ZINC000423992372 500431334 /nfs/dbraw/zinc/43/13/34/500431334.db2.gz GCSMMQRTNUEVDN-YADHBBJMSA-N 2 0 363.505 3.072 20 0 FGADRP Cc1ccccc1CCC(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000424025113 500438674 /nfs/dbraw/zinc/43/86/74/500438674.db2.gz YCFRDPPZHTZLHA-UHFFFAOYSA-N 2 0 365.521 3.037 20 0 FGADRP COCc1cccc(OCC2(C[N@@H+]3CCC4(C3)CC[NH2+]CC4)CCC2)c1 ZINC000420312988 500439094 /nfs/dbraw/zinc/43/90/94/500439094.db2.gz SXOFAZQUAHRILT-UHFFFAOYSA-N 2 0 358.526 3.458 20 0 FGADRP Brc1ccccc1OCC[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000420323030 500441741 /nfs/dbraw/zinc/44/17/41/500441741.db2.gz XNYMZKCDWNDDMF-HNNXBMFYSA-N 2 0 353.304 3.149 20 0 FGADRP Cc1ccc(F)c(N2CCC[C@@H]([NH+]3CCC([C@H]4CCC[NH2+]4)CC3)C2=O)c1 ZINC000420343007 500444797 /nfs/dbraw/zinc/44/47/97/500444797.db2.gz YAIIVZGJQXXWES-RTBURBONSA-N 2 0 359.489 3.094 20 0 FGADRP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](CCOc2cc(Cl)cc(Cl)c2)CC1 ZINC000420340730 500445075 /nfs/dbraw/zinc/44/50/75/500445075.db2.gz UFBJATIPADRFQC-SJORKVTESA-N 2 0 359.297 3.200 20 0 FGADRP COc1ccc([C@H](C[NH3+])C[NH+]2CCC(N3CCc4ccccc43)CC2)cc1 ZINC000420364569 500448551 /nfs/dbraw/zinc/44/85/51/500448551.db2.gz DABZXPWRWGLYDA-HXUWFJFHSA-N 2 0 365.521 3.265 20 0 FGADRP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[NH2+][C@H](Cc1ccccc1)c1ccccc1 ZINC000420365038 500448560 /nfs/dbraw/zinc/44/85/60/500448560.db2.gz DLIRVQJHIFQDJS-VXNXHJTFSA-N 2 0 360.501 3.491 20 0 FGADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000431983960 500451467 /nfs/dbraw/zinc/45/14/67/500451467.db2.gz WDZLTFPVJIMBKZ-UFYCRDLUSA-N 2 0 366.594 3.307 20 0 FGADRP [NH3+][C@H]1CCO[C@H](C2CC[NH+](CCOc3ccc(Cl)c(F)c3)CC2)C1 ZINC000420382568 500451577 /nfs/dbraw/zinc/45/15/77/500451577.db2.gz DQZZGOHJRBBCMQ-KSSFIOAISA-N 2 0 356.869 3.076 20 0 FGADRP [NH3+][C@H]1CCCO[C@H]1C1CC[NH+](CCOc2ccc(C(F)(F)F)cc2)CC1 ZINC000420389027 500453112 /nfs/dbraw/zinc/45/31/12/500453112.db2.gz XSYVFOZQEDZKKH-ROUUACIJSA-N 2 0 372.431 3.303 20 0 FGADRP Cc1ccc(-c2cnc(C[NH+]3CCC([C@@H]4OCCC[C@H]4[NH3+])CC3)o2)cc1 ZINC000420389715 500453702 /nfs/dbraw/zinc/45/37/02/500453702.db2.gz YMUIZBVCFFLQII-NQIIRXRSSA-N 2 0 355.482 3.368 20 0 FGADRP O=C(CC[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1)Nc1cccc(C(F)(F)F)c1 ZINC000420391748 500453934 /nfs/dbraw/zinc/45/39/34/500453934.db2.gz ZCEARICPBWNAKU-KRWDZBQOSA-N 2 0 355.404 3.110 20 0 FGADRP O=C(CC[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1)Nc1cccc(C(F)(F)F)c1 ZINC000420406922 500456578 /nfs/dbraw/zinc/45/65/78/500456578.db2.gz UUOBUYUUUYFADX-PBHICJAKSA-N 2 0 369.431 3.498 20 0 FGADRP C[C@@H]1CC[N@H+](CCC(=O)N[C@H](c2cccs2)c2ccccc2)C[C@H]1C[NH3+] ZINC000420416285 500457229 /nfs/dbraw/zinc/45/72/29/500457229.db2.gz VRSMNUFMFPKUJJ-BLIXFSHQSA-N 2 0 371.550 3.261 20 0 FGADRP C[C@@H](NC(=O)[C@H]1CCCCN1Cc1ccc(F)cc1)C(C)(C)C[NH+](C)C ZINC000428004232 500457445 /nfs/dbraw/zinc/45/74/45/500457445.db2.gz FTPZPVHZDVGCQH-VQIMIIECSA-N 2 0 363.521 3.273 20 0 FGADRP COc1ccc([C@@H](C[NH3+])C[NH2+][C@H](c2ccc3c(c2)OCCO3)C2CC2)cc1 ZINC000420412092 500457505 /nfs/dbraw/zinc/45/75/05/500457505.db2.gz SBTHXRJAZKSNKB-AVRDEDQJSA-N 2 0 368.477 3.250 20 0 FGADRP C[C@@H]1CC2(C[N@@H+]1CC(=O)NCCc1ccc(C(C)(C)C)cc1)CC[NH2+]CC2 ZINC000424295056 500482545 /nfs/dbraw/zinc/48/25/45/500482545.db2.gz QOOGEMULUASODL-GOSISDBHSA-N 2 0 371.569 3.107 20 0 FGADRP COc1ccc([C@@H](C)[NH2+]CC2CC[NH+](CCN(C)C)CC2)c(Cl)c1 ZINC000424309502 500484665 /nfs/dbraw/zinc/48/46/65/500484665.db2.gz ILACQHHTVRCEFU-OAHLLOKOSA-N 2 0 353.938 3.273 20 0 FGADRP Cc1cc(C[NH3+])cc(NC(=O)NCc2ccc(OCCC[NH+](C)C)cc2)c1 ZINC000424426570 500502439 /nfs/dbraw/zinc/50/24/39/500502439.db2.gz ANKSVVFTCRRKJI-UHFFFAOYSA-N 2 0 370.497 3.106 20 0 FGADRP CCCOc1cc(C[NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)ccc1OC ZINC000432356315 500504370 /nfs/dbraw/zinc/50/43/70/500504370.db2.gz IIIWFFWVBZADBV-QGZVFWFLSA-N 2 0 350.503 3.075 20 0 FGADRP Cc1cc(C[NH3+])cc(NC(=O)N[C@@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)c1 ZINC000424443272 500506496 /nfs/dbraw/zinc/50/64/96/500506496.db2.gz JYWGPSBSSAZFEO-QFBILLFUSA-N 2 0 352.482 3.411 20 0 FGADRP CCCc1nc(C)c(CN(C)C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)o1 ZINC000428433278 500509442 /nfs/dbraw/zinc/50/94/42/500509442.db2.gz GYEHVMHWURAGKB-NRFANRHFSA-N 2 0 357.498 3.004 20 0 FGADRP C[NH+](C)CCCC1CC[NH+](Cc2cccc(CN3CCOCC3)c2)CC1 ZINC000420939568 500536136 /nfs/dbraw/zinc/53/61/36/500536136.db2.gz NKQHIYJZOXRQHJ-UHFFFAOYSA-N 2 0 359.558 3.073 20 0 FGADRP C[C@H]([NH2+]C[C@@H](O)Cn1c2ccccc2c2ccccc21)C1=CC[N@H+](C)CC1 ZINC000576631494 506202611 /nfs/dbraw/zinc/20/26/11/506202611.db2.gz OFSWESOYJSSXRJ-PKOBYXMFSA-N 2 0 363.505 3.395 20 0 FGADRP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@H](c3ccccc3)C2(C)C)CC1 ZINC000421028207 500559072 /nfs/dbraw/zinc/55/90/72/500559072.db2.gz WHEVKJGBBZHJBU-HXUWFJFHSA-N 2 0 357.542 3.244 20 0 FGADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000428856222 500566436 /nfs/dbraw/zinc/56/64/36/500566436.db2.gz LPLNOLGAELSFEA-CEWLAPEOSA-N 2 0 372.557 3.213 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@H]2Cc3ccccc3N(C)C2)[C@H](C)C1 ZINC000437092054 500601567 /nfs/dbraw/zinc/60/15/67/500601567.db2.gz YPHWWENMHOCMFY-SBHAEUEKSA-N 2 0 359.558 3.022 20 0 FGADRP [NH3+]C1CC[NH+](CCCC(=O)Nc2ccc(CCC(F)(F)F)cc2)CC1 ZINC000433132825 500631965 /nfs/dbraw/zinc/63/19/65/500631965.db2.gz YAFNOXJXOXIYAY-UHFFFAOYSA-N 2 0 357.420 3.323 20 0 FGADRP Cc1ccc(-c2csc(NC(=O)CCC[NH+]3CCC([NH3+])CC3)n2)cc1 ZINC000433129804 500632235 /nfs/dbraw/zinc/63/22/35/500632235.db2.gz PCRGOWHUVSOLJD-UHFFFAOYSA-N 2 0 358.511 3.260 20 0 FGADRP [NH3+]C1CC[NH+](CCCC(=O)N[C@H](c2ccccc2)c2cccc(F)c2)CC1 ZINC000433140319 500633566 /nfs/dbraw/zinc/63/35/66/500633566.db2.gz GKCUNSAJVGVJSG-JOCHJYFZSA-N 2 0 369.484 3.235 20 0 FGADRP CC[C@@H]1CN(C(=O)CCC[NH+]2CCC([NH3+])CC2)CC[C@H]1c1ccccc1 ZINC000433159197 500636681 /nfs/dbraw/zinc/63/66/81/500636681.db2.gz LJHDQSVGVTWYIS-WIYYLYMNSA-N 2 0 357.542 3.232 20 0 FGADRP C[C@H](NC(=O)CCC[NH+]1CCC([NH3+])CC1)c1cc(Cl)ccc1Cl ZINC000433159771 500636823 /nfs/dbraw/zinc/63/68/23/500636823.db2.gz FNDPVRYQLZNOLZ-LBPRGKRZSA-N 2 0 358.313 3.374 20 0 FGADRP Cc1nc(-c2cccc(NC(=O)CCC[NH+]3CCC([NH3+])CC3)c2)cs1 ZINC000433174001 500638951 /nfs/dbraw/zinc/63/89/51/500638951.db2.gz LXQMAHWRBMYBKV-UHFFFAOYSA-N 2 0 358.511 3.260 20 0 FGADRP C[C@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)c1ccccc1OC(F)(F)F ZINC000442880879 500638961 /nfs/dbraw/zinc/63/89/61/500638961.db2.gz ZMGCOPZJDBESOC-AWEZNQCLSA-N 2 0 359.436 3.262 20 0 FGADRP CC1CCN(C(=O)C[N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)CC1 ZINC000433212336 500648556 /nfs/dbraw/zinc/64/85/56/500648556.db2.gz HQNBKDXUQLKOGK-UHFFFAOYSA-N 2 0 369.553 3.233 20 0 FGADRP [NH3+]CC[C@H]1CCC[N@H+](Cc2nc(-c3cccc(Br)c3)c[nH]2)C1 ZINC000442929539 500648870 /nfs/dbraw/zinc/64/88/70/500648870.db2.gz RMEHDEARVUUFRP-CYBMUJFWSA-N 2 0 363.303 3.400 20 0 FGADRP [NH3+]CC[C@H]1CCC[N@H+](Cc2nc(-c3ccc(Br)cc3)c[nH]2)C1 ZINC000442929597 500649110 /nfs/dbraw/zinc/64/91/10/500649110.db2.gz SCAXCTSXXDUDCE-CYBMUJFWSA-N 2 0 363.303 3.400 20 0 FGADRP C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)C[C@H](c1ccccc1)[NH+](C)C ZINC000433298784 500665154 /nfs/dbraw/zinc/66/51/54/500665154.db2.gz ALLFHHBDGPNADM-OAQYLSRUSA-N 2 0 371.500 3.409 20 0 FGADRP [NH3+]CC[C@H]1CCC[N@H+](CCC(=O)NC(c2ccccc2)c2ccccc2)C1 ZINC000443061248 500671330 /nfs/dbraw/zinc/67/13/30/500671330.db2.gz UXVIPYWZLRHDAY-LJQANCHMSA-N 2 0 365.521 3.343 20 0 FGADRP [NH3+]CC[C@@H]1CCC[N@H+](CC(=O)NCC2(c3ccccc3)CCCCC2)C1 ZINC000443068406 500673410 /nfs/dbraw/zinc/67/34/10/500673410.db2.gz HZSPCHFRDNIGIG-IBGZPJMESA-N 2 0 357.542 3.066 20 0 FGADRP Cc1ccc(NC(=O)Cc2nc(C[N@@H+]3CCC[C@H](CC[NH3+])C3)cs2)cc1 ZINC000443075927 500674971 /nfs/dbraw/zinc/67/49/71/500674971.db2.gz RWNXBAXXSCMZLR-MRXNPFEDSA-N 2 0 372.538 3.194 20 0 FGADRP C[C@H]1CCN(C(=O)c2ccccc2C[NH+](C)C)CC[N@@H+]1Cc1ccccc1 ZINC000433367779 500681862 /nfs/dbraw/zinc/68/18/62/500681862.db2.gz RVZTWROLJBDRDG-IBGZPJMESA-N 2 0 365.521 3.485 20 0 FGADRP CCc1ccccc1[C@H]([NH3+])CNC(=O)c1oc2ccccc2c1C[NH+](C)C ZINC000573562697 506212495 /nfs/dbraw/zinc/21/24/95/506212495.db2.gz CWRWWWZNSUCXIV-LJQANCHMSA-N 2 0 365.477 3.487 20 0 FGADRP CC(C)[NH+]1CCC(N2CCN(c3cc[nH+]c4cc(F)ccc43)CC2)CC1 ZINC000433521063 500707468 /nfs/dbraw/zinc/70/74/68/500707468.db2.gz ROBZGEIRIJXVQW-UHFFFAOYSA-N 2 0 356.489 3.369 20 0 FGADRP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)NC[C@H](C)[NH+](C)Cc2ccccc2)C1 ZINC000448211734 500733435 /nfs/dbraw/zinc/73/34/35/500733435.db2.gz DYTZEUHWDNXQKD-FPOVZHCZSA-N 2 0 374.573 3.174 20 0 FGADRP C[N@H+](CC[C@H]1CCCC[NH+]1C)C[C@@H](O)Cc1ccccc1C(F)(F)F ZINC000443615085 500746084 /nfs/dbraw/zinc/74/60/84/500746084.db2.gz HZJRPSZVZMPZAA-SJORKVTESA-N 2 0 358.448 3.415 20 0 FGADRP CCC[N@H+](CCC(=O)Nc1ccc(Br)cc1)C1CC[NH2+]CC1 ZINC000433856598 500756145 /nfs/dbraw/zinc/75/61/45/500756145.db2.gz XYQODQQSDQBHKD-UHFFFAOYSA-N 2 0 368.319 3.242 20 0 FGADRP O=C(NC[C@H]1CCC[N@@H+]1C1CCCCC1)N1CCC([NH+]2CCCC2)CC1 ZINC000438332461 500771417 /nfs/dbraw/zinc/77/14/17/500771417.db2.gz QXEMUHPEZPORAI-HXUWFJFHSA-N 2 0 362.562 3.053 20 0 FGADRP CC[C@@H](C(=O)N(C)c1ccc(OCC[NH+]2CCCC2)cc1)[NH+](CC)CC ZINC000434148997 500803118 /nfs/dbraw/zinc/80/31/18/500803118.db2.gz XCXVPJNSLSGCAS-FQEVSTJZSA-N 2 0 361.530 3.244 20 0 FGADRP Cc1cc(N2CCC([NH2+]C3CC[NH+]([C@H]4CCCC[C@@H]4C)CC3)CC2)n[nH]1 ZINC000439146780 500863711 /nfs/dbraw/zinc/86/37/11/500863711.db2.gz OEQGYGBDPXGKAK-JXFKEZNVSA-N 2 0 359.562 3.320 20 0 FGADRP C[C@@H](CNC(=O)N(CC[NH+](C)C)Cc1cccs1)[N@@H+]1CCCC[C@H]1C ZINC000439177356 500866714 /nfs/dbraw/zinc/86/67/14/500866714.db2.gz LEYIMLYOUWIEEI-SJORKVTESA-N 2 0 366.575 3.084 20 0 FGADRP C[NH+](C)CCN1CCC([NH2+]Cc2cnc(CCc3ccccc3)s2)CC1 ZINC000449073036 500917995 /nfs/dbraw/zinc/91/79/95/500917995.db2.gz HFIYOZBTDLCDCI-UHFFFAOYSA-N 2 0 372.582 3.044 20 0 FGADRP C[C@@H](Cc1ccoc1)[NH2+]CCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000449086243 500921763 /nfs/dbraw/zinc/92/17/63/500921763.db2.gz BKUDEVAQGOFXRE-FQEVSTJZSA-N 2 0 355.526 3.398 20 0 FGADRP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+]C[C@H]2CN(C3CC3)CCO2)CC1 ZINC000449122804 500930255 /nfs/dbraw/zinc/93/02/55/500930255.db2.gz MBSLKVPVOKIBRS-IBGZPJMESA-N 2 0 351.579 3.118 20 0 FGADRP COCC1CCC([NH2+][C@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)CC1 ZINC000449133016 500932019 /nfs/dbraw/zinc/93/20/19/500932019.db2.gz XAXIUNPURJHVKT-LRYGQEGESA-N 2 0 363.521 3.433 20 0 FGADRP C[C@H]1CSC[C@H]1[NH2+]Cc1cc(C(F)(F)F)ccc1N1CC[NH+](C)CC1 ZINC000449155369 500936502 /nfs/dbraw/zinc/93/65/02/500936502.db2.gz PJRXJLCVBKLNCN-XJKSGUPXSA-N 2 0 373.488 3.298 20 0 FGADRP C[NH+]1CCC(C[NH2+]Cc2ccnn2C2CCCC2)(N2CCCCC2)CC1 ZINC000449172672 500940522 /nfs/dbraw/zinc/94/05/22/500940522.db2.gz WFZFGPKBPVLSQT-UHFFFAOYSA-N 2 0 359.562 3.038 20 0 FGADRP CCOC(=O)c1cc(C[N@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)[nH]c1C ZINC000449242022 500955855 /nfs/dbraw/zinc/95/58/55/500955855.db2.gz VVKPCWSTYORZJL-UHFFFAOYSA-N 2 0 370.497 3.243 20 0 FGADRP Cc1cccn2cc(COc3ccc(C[N@@H+]4CC[C@@H]([NH3+])[C@@H](C)C4)cc3)nc12 ZINC000435376682 500963013 /nfs/dbraw/zinc/96/30/13/500963013.db2.gz SYNKWYHXXOCMAK-LAUBAEHRSA-N 2 0 364.493 3.391 20 0 FGADRP C[C@H]([NH3+])[C@@H]1CCC[N@H+](Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)C1 ZINC000435383761 500964664 /nfs/dbraw/zinc/96/46/64/500964664.db2.gz JSWMQVSZIAQCTE-DZGCQCFKSA-N 2 0 352.404 3.450 20 0 FGADRP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3cn(-c4ccccc4)nc3-c3cccnc3)C[C@@H]12 ZINC000435387664 500965640 /nfs/dbraw/zinc/96/56/40/500965640.db2.gz AYEUMGCDEYNJDG-IOMROCGXSA-N 2 0 359.477 3.103 20 0 FGADRP COC(=O)c1ccc(CN(Cc2ccccn2)[C@H]2CCC[NH2+]CC2)cc1 ZINC000435391467 500967084 /nfs/dbraw/zinc/96/70/84/500967084.db2.gz FGMWRTLCHIAMNC-FQEVSTJZSA-N 2 0 353.466 3.013 20 0 FGADRP C[NH2+]CC1CC[NH+](Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)CC1 ZINC000435393574 500967451 /nfs/dbraw/zinc/96/74/51/500967451.db2.gz HJLOVDKTFQSGOH-UHFFFAOYSA-N 2 0 366.431 3.382 20 0 FGADRP CCn1ccnc1C[N@H+](C[C@H](C)CC1CCOCC1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435425255 500972542 /nfs/dbraw/zinc/97/25/42/500972542.db2.gz YIMFFLUKKAQTOO-UYAOXDASSA-N 2 0 374.573 3.300 20 0 FGADRP Cc1ccc2ncc(CN(Cc3nccs3)[C@@H]3CC34CC[NH2+]CC4)n2c1 ZINC000435426448 500972787 /nfs/dbraw/zinc/97/27/87/500972787.db2.gz ICSCKKHVTUFFCM-QGZVFWFLSA-N 2 0 367.522 3.244 20 0 FGADRP COc1ccc([C@@H](C)C[N@H+](Cc2nccn2C)[C@@H]2CC23CC[NH2+]CC3)cc1 ZINC000435432063 500975085 /nfs/dbraw/zinc/97/50/85/500975085.db2.gz LJUTZNVMFRIMJH-FXAWDEMLSA-N 2 0 368.525 3.177 20 0 FGADRP O[C@H](C[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)Cc1cccc(F)c1 ZINC000449358703 500986081 /nfs/dbraw/zinc/98/60/81/500986081.db2.gz FZFMBHLJEGMANJ-KZKAQZJJSA-N 2 0 368.496 3.229 20 0 FGADRP CC(C)(C)CC(C)(C)[NH+]1CCC(N[C@H]2CCC[N@H+](CCCO)C2)CC1 ZINC000449398577 500993979 /nfs/dbraw/zinc/99/39/79/500993979.db2.gz VQGGKWHBGMQKBL-IBGZPJMESA-N 2 0 353.595 3.102 20 0 FGADRP COc1ccccc1OCCN(Cc1ccccn1)[C@@H]1CCC[NH2+]CC1 ZINC000435615526 501002286 /nfs/dbraw/zinc/00/22/86/501002286.db2.gz JLQRENMUNGIGPT-LJQANCHMSA-N 2 0 355.482 3.113 20 0 FGADRP CC[C@H](NC(=O)CN(CC)[C@H]1CCC[NH2+]CC1)c1ccc(Cl)cc1 ZINC000435628656 501004587 /nfs/dbraw/zinc/00/45/87/501004587.db2.gz VOZFBAXPCFTJCI-ROUUACIJSA-N 2 0 351.922 3.371 20 0 FGADRP CC[NH+]1CCN(c2ccccc2C[NH2+]C[C@H]2CCO[C@@H](C(C)C)C2)CC1 ZINC000449490706 501015512 /nfs/dbraw/zinc/01/55/12/501015512.db2.gz CLNQONQMLLPIJL-SIKLNZKXSA-N 2 0 359.558 3.369 20 0 FGADRP CCO[C@H]1CC[N@H+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)C[C@@H]1C ZINC000449490816 501015565 /nfs/dbraw/zinc/01/55/65/501015565.db2.gz CZZSNDOMZJJWHR-AVRDEDQJSA-N 2 0 359.558 3.464 20 0 FGADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+][C@H]3CCO[C@H](c4ccnn4C)C3)CC2)C1 ZINC000449592578 501039883 /nfs/dbraw/zinc/03/98/83/501039883.db2.gz ODHNAWRGWYUXGR-SAJDGTNDSA-N 2 0 360.546 3.273 20 0 FGADRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2cc3ccccc3c(OC)c2)CC1 ZINC000449745512 501074063 /nfs/dbraw/zinc/07/40/63/501074063.db2.gz NOUQJYQUYPWITP-UHFFFAOYSA-N 2 0 355.526 3.354 20 0 FGADRP C[C@@H](C[NH+]1CCC[C@H]([C@@H]2CCOC2)C1)C[N@@H+]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000441200281 501102882 /nfs/dbraw/zinc/10/28/82/501102882.db2.gz CCLDNAOGIFKIBI-KGWSWXIGSA-N 2 0 364.574 3.120 20 0 FGADRP C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)c1 ZINC000446367568 501111657 /nfs/dbraw/zinc/11/16/57/501111657.db2.gz WZFNNHNYGCFYPJ-SZPZYZBQSA-N 2 0 363.505 3.285 20 0 FGADRP CC(C)[C@@H](COCc1ccccc1)[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000446837298 501170893 /nfs/dbraw/zinc/17/08/93/501170893.db2.gz WPIHAZSPAVSYBD-RBBKRZOGSA-N 2 0 360.542 3.318 20 0 FGADRP Cc1cc(N2CCC[C@H]([NH2+]C3CC[NH+]([C@@H]4CCC[C@@H](C)C4)CC3)C2)n(C)n1 ZINC000446840290 501171857 /nfs/dbraw/zinc/17/18/57/501171857.db2.gz YJXIHSANLARZRK-JRGCBEDISA-N 2 0 373.589 3.330 20 0 FGADRP C[C@H]([NH2+]C[C@@H]1CCCN1C)c1ccc(F)c(I)c1 ZINC000453064813 501261777 /nfs/dbraw/zinc/26/17/77/501261777.db2.gz GZSYCALZHOTHFR-JQWIXIFHSA-N 2 0 362.230 3.175 20 0 FGADRP Cc1ccccc1C[NH+]1CCC(NC(=O)NC(C)(C)C[NH+]2CCCC2)CC1 ZINC000457634961 501273033 /nfs/dbraw/zinc/27/30/33/501273033.db2.gz INJLQPXSVUKCQD-UHFFFAOYSA-N 2 0 372.557 3.133 20 0 FGADRP COC1([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CCOCC1 ZINC000453123484 501273910 /nfs/dbraw/zinc/27/39/10/501273910.db2.gz YQEUCFFTPNFJCB-XSLAUPDRSA-N 2 0 358.526 3.356 20 0 FGADRP C[NH+](C)C1(CN[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)CCOCC1 ZINC000453126525 501274406 /nfs/dbraw/zinc/27/44/06/501274406.db2.gz SQARMHWETBJXHQ-BHDDXSALSA-N 2 0 371.569 3.130 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)NC(C)(C)C[NH+](C)C)cc1 ZINC000457648923 501276971 /nfs/dbraw/zinc/27/69/71/501276971.db2.gz LFMYCGZZDNJNAA-QGZVFWFLSA-N 2 0 360.546 3.200 20 0 FGADRP CC[C@H]([NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1)c1ccncc1 ZINC000453138260 501277159 /nfs/dbraw/zinc/27/71/59/501277159.db2.gz HKODVMHOCXXSRZ-NRFANRHFSA-N 2 0 366.509 3.148 20 0 FGADRP C[C@H]([NH2+]CC1=CC[N@H+](C)CC1)c1ccc(F)c(I)c1 ZINC000453181002 501286514 /nfs/dbraw/zinc/28/65/14/501286514.db2.gz QXOYHOZOKXDEMK-NSHDSACASA-N 2 0 374.241 3.343 20 0 FGADRP C[C@H](CCCc1cccnc1)[NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000453197001 501289131 /nfs/dbraw/zinc/28/91/31/501289131.db2.gz MPKROEZHZMFDEU-XMSQKQJNSA-N 2 0 353.510 3.149 20 0 FGADRP Cc1[nH+]c2c(n1[C@@H]1CCN(C(=O)C3C[NH+](C4CCCCC4)C3)C1)CCCC2 ZINC000457740931 501298593 /nfs/dbraw/zinc/29/85/93/501298593.db2.gz PMTUKJXDPZHBJU-LJQANCHMSA-N 2 0 370.541 3.108 20 0 FGADRP Cc1nnc(CC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)s1 ZINC000453251134 501299402 /nfs/dbraw/zinc/29/94/02/501299402.db2.gz LCQQHDNVQNXGQY-QRVBRYPASA-N 2 0 356.539 3.422 20 0 FGADRP CC(=O)N1CCCN(C[C@H]2CCC[N@@H+]([C@@H](C)c3cccc(C)c3)C2)CC1 ZINC000451534223 501315011 /nfs/dbraw/zinc/31/50/11/501315011.db2.gz NEGYMYVBTICQGI-PZJWPPBQSA-N 2 0 357.542 3.322 20 0 FGADRP CO[C@@H]1CC[N@H+](Cc2ccccc2C[NH+]2CC[C@H](OC)[C@@H](C)C2)C[C@@H]1C ZINC000451578756 501329626 /nfs/dbraw/zinc/32/96/26/501329626.db2.gz XMFRYLPFQOCPOO-YHDSQAASSA-N 2 0 360.542 3.400 20 0 FGADRP C[N@H+](CCCC[NH2+]Cc1c(Cl)cccc1N1CCOCC1)C1CC1 ZINC000453593146 501356437 /nfs/dbraw/zinc/35/64/37/501356437.db2.gz GHIXFWKQVXLSMW-UHFFFAOYSA-N 2 0 351.922 3.141 20 0 FGADRP COc1ccc(C[NH2+]CCCC[N@H+](C)C2CC2)c(Br)c1O ZINC000453593779 501357032 /nfs/dbraw/zinc/35/70/32/501357032.db2.gz HREHKTPVJKFXOB-UHFFFAOYSA-N 2 0 357.292 3.127 20 0 FGADRP C[NH+](C)[C@H]1CCc2cc(NC(=O)NC3CC[NH+](CC4CC4)CC3)ccc21 ZINC000455899091 501410459 /nfs/dbraw/zinc/41/04/59/501410459.db2.gz FOJLQTSTSKQOEV-FQEVSTJZSA-N 2 0 356.514 3.231 20 0 FGADRP C[NH+](C)[C@@H]1CCc2cc(NC(=O)N3CCCC34CC[NH+](C)CC4)ccc21 ZINC000455919638 501415665 /nfs/dbraw/zinc/41/56/65/501415665.db2.gz LJJVRHKRDWJEIA-LJQANCHMSA-N 2 0 356.514 3.328 20 0 FGADRP C[NH+](C)[C@@H]1CCc2cc(NC(=O)N3CC[C@@H](C4CC[NH+](C)CC4)C3)ccc21 ZINC000455935054 501419784 /nfs/dbraw/zinc/41/97/84/501419784.db2.gz RERWRLZQPSBKKM-WIYYLYMNSA-N 2 0 370.541 3.431 20 0 FGADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)NCC[C@H]1CCC[N@H+](C)C1)c1ccccc1 ZINC000458367859 501428387 /nfs/dbraw/zinc/42/83/87/501428387.db2.gz IIVWOEZIWIPPCM-QZTJIDSGSA-N 2 0 360.546 3.147 20 0 FGADRP CCC[C@H]([NH2+]C(C)C)C(=O)NC[C@@H](c1ccc(SC)cc1)[NH+](C)C ZINC000452161004 501448760 /nfs/dbraw/zinc/44/87/60/501448760.db2.gz FCPUDVQHVWUZBU-ROUUACIJSA-N 2 0 351.560 3.294 20 0 FGADRP C[C@@H](CCNC(=O)N1CC[C@@]2(C1)CCC[N@H+](C)C2)[NH+](C)Cc1ccccc1 ZINC000458508437 501462348 /nfs/dbraw/zinc/46/23/48/501462348.db2.gz OKNMJMTUVXAEBP-UGKGYDQZSA-N 2 0 372.557 3.024 20 0 FGADRP C[C@@H](CCNC(=O)N1CC[N@@H+](C2CC2)C[C@@H](C)C1)[NH+](C)Cc1ccccc1 ZINC000458511110 501462707 /nfs/dbraw/zinc/46/27/07/501462707.db2.gz POSJCZLIPHGLAD-MOPGFXCFSA-N 2 0 372.557 3.023 20 0 FGADRP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)NC[C@@H](C2CC2)[NH+](C)Cc2ccccc2)C1 ZINC000458665705 501502602 /nfs/dbraw/zinc/50/26/02/501502602.db2.gz JCFAYWYUBVVNOJ-SFTDATJTSA-N 2 0 372.557 3.021 20 0 FGADRP CC[N@H+](Cc1ccc(C(=O)NC2CC[NH+](C3CCC3)CC2)cc1)C1CC1 ZINC000456682646 501576035 /nfs/dbraw/zinc/57/60/35/501576035.db2.gz KRKTVYTZHNAZLV-UHFFFAOYSA-N 2 0 355.526 3.418 20 0 FGADRP C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)NCCCC[NH+](C)C2CC2)C1 ZINC000459149636 501603814 /nfs/dbraw/zinc/60/38/14/501603814.db2.gz GLZQJPAPDQEACW-RBUKOAKNSA-N 2 0 364.578 3.157 20 0 FGADRP C[N@@H+]1CCC[C@@H](CCNC(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)C1 ZINC000459268274 501622139 /nfs/dbraw/zinc/62/21/39/501622139.db2.gz SBFJJYOAUXXWHQ-VQTJNVASSA-N 2 0 364.578 3.016 20 0 FGADRP C[N@@H+]1CCC[C@H](CCNC(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)C1 ZINC000459268275 501622223 /nfs/dbraw/zinc/62/22/23/501622223.db2.gz SBFJJYOAUXXWHQ-WOJBJXKFSA-N 2 0 364.578 3.016 20 0 FGADRP C[C@@H](NC(=O)NCCCC[N@H+](C)C1CC1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000454760926 501623863 /nfs/dbraw/zinc/62/38/63/501623863.db2.gz DOTQLIZFEWZWHT-QUCCMNQESA-N 2 0 372.557 3.071 20 0 FGADRP COc1ccc(C[NH+]2CCC(C[NH2+]Cc3cnc(C4CC4)nc3)CC2)cc1 ZINC000459391994 501645328 /nfs/dbraw/zinc/64/53/28/501645328.db2.gz SQWMUJJGWJMOGP-UHFFFAOYSA-N 2 0 366.509 3.364 20 0 FGADRP CCO[C@@H]1C[C@@H]([NH2+]CC2CC[NH+](Cc3cccs3)CC2)[C@@H]1SC ZINC000459393535 501645585 /nfs/dbraw/zinc/64/55/85/501645585.db2.gz VWKRZFLBUQUJMX-KURKYZTESA-N 2 0 354.585 3.459 20 0 FGADRP Clc1cccc2c1CCN(CC[NH2+]C1CCN(c3cc[nH+]cc3)CC1)C2 ZINC000459511209 501666925 /nfs/dbraw/zinc/66/69/25/501666925.db2.gz OSOBIQAUYCTTOT-UHFFFAOYSA-N 2 0 370.928 3.352 20 0 FGADRP C[N@@H+]1CCC[C@@H](CCNC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000457515776 501714419 /nfs/dbraw/zinc/71/44/19/501714419.db2.gz BOVLBEAHYFZPJB-FQEVSTJZSA-N 2 0 372.557 3.204 20 0 FGADRP CC[NH+](CC)Cc1ccc(CNC(=O)NCc2ccc3c[nH+]cn3c2)cc1 ZINC000457516826 501714993 /nfs/dbraw/zinc/71/49/93/501714993.db2.gz HALDJHLLFUSUPA-UHFFFAOYSA-N 2 0 365.481 3.176 20 0 FGADRP C[C@H](CCCCN1C(=O)c2ccccc2C1=O)[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000459796017 501715093 /nfs/dbraw/zinc/71/50/93/501715093.db2.gz VXSZYZTURDCXLP-MSOLQXFVSA-N 2 0 371.525 3.163 20 0 FGADRP C[N@@H+]1CCC[C@@H](CC[NH2+]Cc2cccc(I)c2)C1 ZINC000459796038 501715287 /nfs/dbraw/zinc/71/52/87/501715287.db2.gz VYQQLQRFMIKPLA-ZDUSSCGKSA-N 2 0 358.267 3.113 20 0 FGADRP CCC(CC)(CNC(=O)c1ccnc(C[NH3+])c1)[NH2+][C@@H](C)c1ccccc1 ZINC000463482663 501736398 /nfs/dbraw/zinc/73/63/98/501736398.db2.gz CJDBIAWLMXIEEM-INIZCTEOSA-N 2 0 354.498 3.180 20 0 FGADRP CCC[C@@H]([NH2+]C(C)C)C(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1C ZINC000477633969 501744791 /nfs/dbraw/zinc/74/47/91/501744791.db2.gz FBCTXZLVKSRHKB-HXUWFJFHSA-N 2 0 360.546 3.242 20 0 FGADRP Fc1cncc([C@H]([NH2+]CCN2CC[NH+](Cc3ccccc3)CC2)C2CC2)c1 ZINC000467310620 501767576 /nfs/dbraw/zinc/76/75/76/501767576.db2.gz JBAULDTXTPEGGJ-JOCHJYFZSA-N 2 0 368.500 3.079 20 0 FGADRP CCCN(CC[NH+]1CCCCCC1)C(=O)NCCC1CC[NH+](C)CC1 ZINC000460257132 501773439 /nfs/dbraw/zinc/77/34/39/501773439.db2.gz PMFOEWXPSBUNQB-UHFFFAOYSA-N 2 0 352.567 3.016 20 0 FGADRP C[C@@H](CCNC(=O)c1ccc2c(c1)CC[NH2+]CC2)[N@H+](C)Cc1ccccc1 ZINC000474309979 501785379 /nfs/dbraw/zinc/78/53/79/501785379.db2.gz ONNQOIIJHHVJEU-SFHVURJKSA-N 2 0 365.521 3.015 20 0 FGADRP CC[N@H+](CCNC(=O)N(C)[C@H]1CCC[NH+](Cc2ccccc2)C1)C(C)C ZINC000470735516 501786172 /nfs/dbraw/zinc/78/61/72/501786172.db2.gz YNXDPDQKMWHPNZ-FQEVSTJZSA-N 2 0 360.546 3.023 20 0 FGADRP C[N@H+](CC1CC1)C[C@H]1CC[NH+](C[C@@H](O)Cc2ccc3ccccc3c2)C1 ZINC000470774018 501798320 /nfs/dbraw/zinc/79/83/20/501798320.db2.gz QRQOFUJUOMXDIW-OFNKIYASSA-N 2 0 352.522 3.407 20 0 FGADRP C[C@@H]([NH2+][C@H]1CC(=O)N(c2ccccc2)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000477854477 501810086 /nfs/dbraw/zinc/81/00/86/501810086.db2.gz BKUHBGXNHFYBKU-MJGOQNOKSA-N 2 0 367.493 3.083 20 0 FGADRP CCCC[N@H+](C)C[C@H](C)NC(=O)N[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000460481127 501834898 /nfs/dbraw/zinc/83/48/98/501834898.db2.gz RJGHQIOATYVVMK-ZVDOUQERSA-N 2 0 374.573 3.459 20 0 FGADRP CCOC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(CN2CC[NH+](CC)CC2)cc1 ZINC000474464892 501844750 /nfs/dbraw/zinc/84/47/50/501844750.db2.gz VGDZSZTYXFPBHP-VXKWHMMOSA-N 2 0 359.558 3.119 20 0 FGADRP CC1CC[NH+](Cc2ccccc2CNC(=O)C[C@@H]2CCC[NH2+]CC2)CC1 ZINC000478008517 501851425 /nfs/dbraw/zinc/85/14/25/501851425.db2.gz FRUMVNZZSRNXFB-LJQANCHMSA-N 2 0 357.542 3.315 20 0 FGADRP CCOC[C@H]1CCC[C@@H]1[NH2+]CCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000474602906 501889926 /nfs/dbraw/zinc/88/99/26/501889926.db2.gz UJOIIQBXXCQKGQ-IRLDBZIGSA-N 2 0 359.558 3.384 20 0 FGADRP CCC(CC)[C@H](CNC(=O)N1CC[C@H]([NH+]2CCCC2)[C@@H]1C)[NH+]1CCCC1 ZINC000478175463 501900797 /nfs/dbraw/zinc/90/07/97/501900797.db2.gz LAEXBFKTEKLJRU-IHPCNDPISA-N 2 0 364.578 3.155 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C2CCC(C)(C(=O)OCC)CC2)[C@@H](C)C1 ZINC000474722263 501932982 /nfs/dbraw/zinc/93/29/82/501932982.db2.gz ZFQXVKQPBYIKRV-SVCPCHAPSA-N 2 0 368.562 3.225 20 0 FGADRP CNC(=O)C[C@@H]([NH2+][C@H](C)c1ccc(OCC[NH+](C)C)cc1)c1ccccc1 ZINC000482070838 501964398 /nfs/dbraw/zinc/96/43/98/501964398.db2.gz FFGYCHYVRXFWPH-DYESRHJHSA-N 2 0 369.509 3.155 20 0 FGADRP C/C=C\COc1ccc(CC[C@H](C)[NH2+][C@H](C)CN2CC[NH+](C)CC2)cc1 ZINC000468369719 502038827 /nfs/dbraw/zinc/03/88/27/502038827.db2.gz AEVGXHOTYQNEDZ-DXPXIUTNSA-N 2 0 359.558 3.188 20 0 FGADRP CC(C)[N@H+](C)CCNC(=O)N1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000475128553 502069668 /nfs/dbraw/zinc/06/96/68/502069668.db2.gz JDIVOWGPBKMHFQ-QFIPXVFZSA-N 2 0 372.557 3.024 20 0 FGADRP C[C@H](CNC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCC(C)CC1 ZINC000475128157 502070077 /nfs/dbraw/zinc/07/00/77/502070077.db2.gz FWYCIUULSUMLGB-CTNGQTDRSA-N 2 0 372.557 3.023 20 0 FGADRP Cc1ccc(C)c([C@@H](C)[NH2+]CCCC[NH+]2CCN(c3ncccn3)CC2)c1 ZINC000482448282 502071127 /nfs/dbraw/zinc/07/11/27/502071127.db2.gz FPJXZJJMYDKXMW-HXUWFJFHSA-N 2 0 367.541 3.346 20 0 FGADRP CC[C@@H]([NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1)c1ccc(F)cc1 ZINC000482455902 502073105 /nfs/dbraw/zinc/07/31/05/502073105.db2.gz YPEHOJUDUAIFHG-HXUWFJFHSA-N 2 0 371.504 3.259 20 0 FGADRP C[C@@H]([NH2+]CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)C(C)(C)c1ccccc1 ZINC000475141229 502077968 /nfs/dbraw/zinc/07/79/68/502077968.db2.gz VOVOKWZLVXYNGH-NQIIRXRSSA-N 2 0 367.537 3.361 20 0 FGADRP Cc1cccc([C@@H](C)[NH2+]CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)c1C ZINC000475157684 502085271 /nfs/dbraw/zinc/08/52/71/502085271.db2.gz PMCAIERRGAYBSV-NQIIRXRSSA-N 2 0 353.510 3.373 20 0 FGADRP CCN(CCC[NH+](C)C)C(=O)NC[C@@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC000468521723 502089688 /nfs/dbraw/zinc/08/96/88/502089688.db2.gz FEABXBDFNYJQOB-NRFANRHFSA-N 2 0 374.573 3.443 20 0 FGADRP CCCC[N@H+](C)CC1CC[NH+]([C@H]2CCCN(CC(C)(C)C)C2=O)CC1 ZINC000461400694 502096962 /nfs/dbraw/zinc/09/69/62/502096962.db2.gz LFTZUPJPRVFSSR-IBGZPJMESA-N 2 0 351.579 3.467 20 0 FGADRP C[C@H]([NH2+]CCCN1CCC[N@H+](C)CC1)c1ccc(OCC(F)(F)F)cc1 ZINC000482540807 502105590 /nfs/dbraw/zinc/10/55/90/502105590.db2.gz YVWSGFRFPLVFNL-INIZCTEOSA-N 2 0 373.463 3.306 20 0 FGADRP CC(C)Sc1ccc([C@@H](C)[NH2+]CCC[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000482553564 502108574 /nfs/dbraw/zinc/10/85/74/502108574.db2.gz JGIYVYHTXIBTQJ-SJLPKXTDSA-N 2 0 363.571 3.425 20 0 FGADRP NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+][C@@H](Cc2ccccc2)c2ccccc2)C1 ZINC000482561160 502110930 /nfs/dbraw/zinc/11/09/30/502110930.db2.gz YVYDBYKTMVUSAX-YADHBBJMSA-N 2 0 365.521 3.147 20 0 FGADRP NC(=O)[C@H]1CCC[N@H+](CCC[NH2+][C@@H]2CCCc3c4ccccc4sc32)C1 ZINC000482568546 502112799 /nfs/dbraw/zinc/11/27/99/502112799.db2.gz HFUURTMIQGOGEP-MAUKXSAKSA-N 2 0 371.550 3.456 20 0 FGADRP CC[NH+](CC)C[C@H]1CCCC[C@@H]1NC(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000475377143 502153994 /nfs/dbraw/zinc/15/39/94/502153994.db2.gz ZUVJSASPPJSBKA-OAHAVBBTSA-N 2 0 364.578 3.203 20 0 FGADRP [NH3+]C[C@H](Cc1ccccc1)[C@H]1CCCC[N@@H+]1CCC(=O)NC1CCCC1 ZINC000471875213 502162048 /nfs/dbraw/zinc/16/20/48/502162048.db2.gz WJXUTRQDNSTOMM-PZJWPPBQSA-N 2 0 357.542 3.107 20 0 FGADRP O=C([C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)N1CCC2(CC[NH2+]CC2)CC1 ZINC000479296653 502217684 /nfs/dbraw/zinc/21/76/84/502217684.db2.gz QJAGHMGIEXPZPA-IBGZPJMESA-N 2 0 373.516 3.030 20 0 FGADRP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H](C)c3sccc3OC)cn2)CC1 ZINC000472160087 502252429 /nfs/dbraw/zinc/25/24/29/502252429.db2.gz UFZOQTYCFBKPKD-HNNXBMFYSA-N 2 0 360.527 3.144 20 0 FGADRP CC[C@H](C(=O)N1CC[C@@H](C[NH+](C)CC2CC2)C1)[N@H+](C)Cc1ccccc1 ZINC000582577148 506302893 /nfs/dbraw/zinc/30/28/93/506302893.db2.gz MHSLEMZZTWLZPA-LEWJYISDSA-N 2 0 357.542 3.087 20 0 FGADRP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000479478796 502271965 /nfs/dbraw/zinc/27/19/65/502271965.db2.gz XMYNIPXLJHUBHQ-SFHVURJKSA-N 2 0 357.542 3.475 20 0 FGADRP CC[C@@H](C(=O)N1CC[C@@H](C[NH+](C)CC2CC2)C1)[N@H+](C)Cc1ccccc1 ZINC000582577151 506303575 /nfs/dbraw/zinc/30/35/75/506303575.db2.gz MHSLEMZZTWLZPA-SFTDATJTSA-N 2 0 357.542 3.087 20 0 FGADRP CC(C)[N@@H+](C)C[C@H](C)NC(=O)N(C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000462016568 502275751 /nfs/dbraw/zinc/27/57/51/502275751.db2.gz RKNIZDIFIGXRKI-ZJOUEHCJSA-N 2 0 374.573 3.410 20 0 FGADRP C[N@H+](CC1CC1)C[C@@H]1CCN([C@H]2CCN(c3ccc(Cl)cc3)C2=O)C1 ZINC000472230593 502277930 /nfs/dbraw/zinc/27/79/30/502277930.db2.gz GQSBFJVLEIDADJ-LPHOPBHVSA-N 2 0 361.917 3.109 20 0 FGADRP O=C(CC[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2)NC1CCCC1 ZINC000475749181 502279456 /nfs/dbraw/zinc/27/94/56/502279456.db2.gz PMKINEQPORAEPZ-QHCPKHFHSA-N 2 0 369.553 3.423 20 0 FGADRP CC[N@H+](CC1CCC1)[C@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000483123287 502281057 /nfs/dbraw/zinc/28/10/57/502281057.db2.gz UVJOJDJERKVYEC-GOSISDBHSA-N 2 0 357.542 3.278 20 0 FGADRP C[C@@H]1C[C@@H](NC(=O)NCc2ccccc2C[N@H+]2CCCC[C@@H]2C)CC[NH+]1C ZINC000465559809 502308280 /nfs/dbraw/zinc/30/82/80/502308280.db2.gz BNEDNFIJULNIOI-UEXGIBASSA-N 2 0 372.557 3.343 20 0 FGADRP CC[N@H+](CCC1CCN(C(=O)N[C@@H](C)C[NH+](C)C(C)C)CC1)CC1CC1 ZINC000462124340 502315353 /nfs/dbraw/zinc/31/53/53/502315353.db2.gz BNUDRHKTJNISJH-SFHVURJKSA-N 2 0 366.594 3.259 20 0 FGADRP O=C(C[N@H+](CC1CC1)C1CCC1)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000483302192 502344705 /nfs/dbraw/zinc/34/47/05/502344705.db2.gz IUTNROZBHUMVQT-UHFFFAOYSA-N 2 0 373.566 3.438 20 0 FGADRP C[C@@H]1CCC[C@@](CNC(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)([NH+](C)C)C1 ZINC000465731961 502362885 /nfs/dbraw/zinc/36/28/85/502362885.db2.gz VTYDUFNLRXFZFQ-SLYNCCJLSA-N 2 0 364.578 3.061 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCc1c(C)cc(C)cc1C ZINC000465793843 502386894 /nfs/dbraw/zinc/38/68/94/502386894.db2.gz WSCGSCFCGCYFPR-HXUWFJFHSA-N 2 0 374.573 3.169 20 0 FGADRP C[C@H]1C[C@@H](NC(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)CC[N@@H+]1C ZINC000465817615 502393633 /nfs/dbraw/zinc/39/36/33/502393633.db2.gz SZKRXQWEBLCJSP-RXVVDRJESA-N 2 0 372.557 3.345 20 0 FGADRP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCC[NH+](CC)C1CC1 ZINC000465844099 502400347 /nfs/dbraw/zinc/40/03/47/502400347.db2.gz NMLWRNHZTOPSJE-FQEVSTJZSA-N 2 0 372.557 3.024 20 0 FGADRP C[C@@H]1CCN(C(=O)NCC[NH+](C)C2CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000465861126 502406374 /nfs/dbraw/zinc/40/63/74/502406374.db2.gz YLUWIECWVCSKCK-LJQANCHMSA-N 2 0 372.557 3.167 20 0 FGADRP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)N(C)CC[C@@H]1CCCC[NH+]1C ZINC000465864216 502406905 /nfs/dbraw/zinc/40/69/05/502406905.db2.gz CMAROHBQTMJSTI-OALUTQOASA-N 2 0 352.567 3.157 20 0 FGADRP CC[NH+](CC)[C@@H]1CCN(C(=O)NC[C@@H]2CCC[N@@H+]2CC2CCCCC2)C1 ZINC000465878342 502411830 /nfs/dbraw/zinc/41/18/30/502411830.db2.gz SFGZNPMHBYGXHD-VQTJNVASSA-N 2 0 364.578 3.157 20 0 FGADRP O=C(CN1CC[C@@]2(CC[NH2+]C2)C1)Nc1ccc(Oc2ccccc2)cc1 ZINC000462390060 502418393 /nfs/dbraw/zinc/41/83/93/502418393.db2.gz ATTPPRMRLDTCPT-OAQYLSRUSA-N 2 0 351.450 3.103 20 0 FGADRP O=C(CN1CC[C@]2(CC[NH2+]C2)C1)N[C@H](c1ccccc1)C1CCCCC1 ZINC000462392529 502419014 /nfs/dbraw/zinc/41/90/14/502419014.db2.gz LVEMABIAPVTWAX-YADHBBJMSA-N 2 0 355.526 3.110 20 0 FGADRP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCCC2CC[NH+](CC)CC2)C1 ZINC000465895855 502419469 /nfs/dbraw/zinc/41/94/69/502419469.db2.gz VZQMWADYUGNQKU-SFHVURJKSA-N 2 0 366.594 3.308 20 0 FGADRP Cc1cc(-n2ccnc2)ccc1CN1CCN(C(=O)c2ccsc2)CC1 ZINC000483540614 502425473 /nfs/dbraw/zinc/42/54/73/502425473.db2.gz DPGJTKVQRMZWBD-UHFFFAOYSA-N 2 0 366.490 3.200 20 0 FGADRP C[C@H](C[NH+]1CCCCCC1)NC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000483630170 502447711 /nfs/dbraw/zinc/44/77/11/502447711.db2.gz XBWYQKITRCMJLC-TZIWHRDSSA-N 2 0 372.557 3.167 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NCCC[NH+](C)Cc2ccccc2)C[C@H]1C ZINC000483710895 502471376 /nfs/dbraw/zinc/47/13/76/502471376.db2.gz MJDFWXVBUMIUMA-QUCCMNQESA-N 2 0 360.546 3.023 20 0 FGADRP C[NH+](C)C1(CNC(=O)NC2CC[NH+](C3CCCC3)CC2)CCCCCC1 ZINC000483717576 502474047 /nfs/dbraw/zinc/47/40/47/502474047.db2.gz XOAMQMJDSXXZRJ-UHFFFAOYSA-N 2 0 364.578 3.347 20 0 FGADRP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000462534754 502477804 /nfs/dbraw/zinc/47/78/04/502477804.db2.gz MJCBMKMDAFAHFE-RTBURBONSA-N 2 0 352.567 3.013 20 0 FGADRP CCC[NH+]1CCC(NC(=O)N2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)CC1 ZINC000466097768 502478305 /nfs/dbraw/zinc/47/83/05/502478305.db2.gz FZABBXCGIADOFO-MOPGFXCFSA-N 2 0 364.578 3.157 20 0 FGADRP C[C@H](CCNC(=O)N[C@@H](C)C[NH+]1CCCCC1)[N@H+](C)Cc1ccccc1 ZINC000472970076 502487986 /nfs/dbraw/zinc/48/79/86/502487986.db2.gz KLAADWGEBINFCM-RBUKOAKNSA-N 2 0 360.546 3.071 20 0 FGADRP CC(C)[NH+](CCNC(=O)N[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1)C(C)C ZINC000466147881 502489271 /nfs/dbraw/zinc/48/92/71/502489271.db2.gz YRJNABKCMWEDMZ-AZUAARDMSA-N 2 0 360.546 3.067 20 0 FGADRP CCC(CC)[C@H](CNC(=O)NC[C@@H]1CCCC[N@@H+]1CC)[NH+]1CCCC1 ZINC000476481369 502500699 /nfs/dbraw/zinc/50/06/99/502500699.db2.gz BODOURAOCDYODV-OALUTQOASA-N 2 0 352.567 3.061 20 0 FGADRP CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(C[NH+](C)C)cc2)[C@H]1Oc1ccccc1 ZINC000480334016 502540086 /nfs/dbraw/zinc/54/00/86/502540086.db2.gz MVVMUNVHBCKRHT-BHDDXSALSA-N 2 0 354.494 3.463 20 0 FGADRP CCC[C@H]([NH2+]C(C)C)C(=O)NC[C@H](c1ccccc1OC)[NH+]1CCCC1 ZINC000473285647 502558982 /nfs/dbraw/zinc/55/89/82/502558982.db2.gz XDBXYOWCSPRMMX-RBUKOAKNSA-N 2 0 361.530 3.115 20 0 FGADRP CCC[C@@H]([NH2+]C(C)C)C(=O)NC[C@H](c1ccccc1OC)[NH+]1CCCC1 ZINC000473285648 502559314 /nfs/dbraw/zinc/55/93/14/502559314.db2.gz XDBXYOWCSPRMMX-RTBURBONSA-N 2 0 361.530 3.115 20 0 FGADRP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH2+][C@@H](CO)Cc1ccc(F)cc1 ZINC000480468456 502576985 /nfs/dbraw/zinc/57/69/85/502576985.db2.gz KQUCDTONMVZSDQ-OAQYLSRUSA-N 2 0 358.501 3.477 20 0 FGADRP C[C@H](C[NH2+][C@@H](C)CC(C)(C)c1c[nH]c2ccccc21)N1CC[NH+](C)CC1 ZINC000462802715 502581751 /nfs/dbraw/zinc/58/17/51/502581751.db2.gz MKDYHEWJTPCUKJ-ZWKOTPCHSA-N 2 0 356.558 3.450 20 0 FGADRP C[C@H]([NH2+]CC1CC[NH+](CCO)CC1)c1csc(-c2ccccc2F)n1 ZINC000462812617 502583652 /nfs/dbraw/zinc/58/36/52/502583652.db2.gz IEHWOEBHDJRIJK-AWEZNQCLSA-N 2 0 363.502 3.304 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1Nc1cccc(C[NH+]2CC[C@@H](O)C2)c1 ZINC000462860399 502602318 /nfs/dbraw/zinc/60/23/18/502602318.db2.gz FZORVWXDRFGWQN-SXSPYAJSSA-N 2 0 365.521 3.186 20 0 FGADRP CCSc1ccc(C(=O)N(CC[NH+](C)C)C[C@H]2CCC[N@@H+]2CC)cc1 ZINC000480571404 502606579 /nfs/dbraw/zinc/60/65/79/502606579.db2.gz IXKYHTIPORGXFL-GOSISDBHSA-N 2 0 363.571 3.287 20 0 FGADRP CC[C@@H](C)[NH2+][C@@H](CNC(=O)NCCC[NH+]1CCC(C)CC1)c1ccco1 ZINC000476907369 502617394 /nfs/dbraw/zinc/61/73/94/502617394.db2.gz PWDFJFPEQFJANE-MSOLQXFVSA-N 2 0 364.534 3.130 20 0 FGADRP COC(=O)CCC[NH+]1CCC(Nc2ccc(Cl)c(C[NH+](C)C)c2)CC1 ZINC000462896254 502617949 /nfs/dbraw/zinc/61/79/49/502617949.db2.gz OTUIERHCLPDHND-UHFFFAOYSA-N 2 0 367.921 3.231 20 0 FGADRP C[C@@H]1C[N@@H+](CCC2CC[NH+](Cc3cccc4c3NCC4)CC2)C[C@H](C)O1 ZINC000469985464 502618381 /nfs/dbraw/zinc/61/83/81/502618381.db2.gz YCLRVZYMROXUKB-HDICACEKSA-N 2 0 357.542 3.366 20 0 FGADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000469990235 502620872 /nfs/dbraw/zinc/62/08/72/502620872.db2.gz IGWCQNUVOHKMIT-LVNQGSGBSA-N 2 0 355.526 3.171 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cc(C)cc(Cl)c1 ZINC000477041820 502657056 /nfs/dbraw/zinc/65/70/56/502657056.db2.gz GMQWWVFXDSAVKO-SFHVURJKSA-N 2 0 351.922 3.137 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H](NC[C@@H](C(C)C)[NH+]2CCC(C)CC2)[C@@H](C)C1 ZINC000480763953 502664510 /nfs/dbraw/zinc/66/45/10/502664510.db2.gz WZFVMFBBQASBDO-FKBYEOEOSA-N 2 0 367.622 3.470 20 0 FGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cccc(Cn3ccnc3)c2)[C@@H](C)C1 ZINC000480802405 502675265 /nfs/dbraw/zinc/67/52/65/502675265.db2.gz JALXNBKARLUSJU-SIKLNZKXSA-N 2 0 370.541 3.158 20 0 FGADRP CN1CCN(c2ncc(C[N@@H+]3CCCC4(CCCCC4)CC3)cn2)CC1 ZINC000470141139 502675990 /nfs/dbraw/zinc/67/59/90/502675990.db2.gz NFMIPNGKTJRDRO-UHFFFAOYSA-N 2 0 357.546 3.165 20 0 FGADRP CCC[N@H+](CC)C[C@H](C)NC(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000463055959 502677837 /nfs/dbraw/zinc/67/78/37/502677837.db2.gz DMFAZGSSJBJUBO-IBGZPJMESA-N 2 0 374.573 3.413 20 0 FGADRP CC[NH+](CC)CC1CC[NH+]([C@H](C)C(=O)NC[C@H](C)c2ccccc2)CC1 ZINC000488355268 502691436 /nfs/dbraw/zinc/69/14/36/502691436.db2.gz ABKUEFCQVOZRTD-RBUKOAKNSA-N 2 0 359.558 3.349 20 0 FGADRP CCC[N@H+](CC)CCNC(=O)N[C@H]1[C@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000473736353 502691475 /nfs/dbraw/zinc/69/14/75/502691475.db2.gz AKROZPLHTNTGGY-KXTWHKPSSA-N 2 0 374.573 3.174 20 0 FGADRP Cc1nc2ccccc2n1CCCCC[N@@H+]1CCOC[C@@H]1[C@H]1CCCO1 ZINC000463209848 502720514 /nfs/dbraw/zinc/72/05/14/502720514.db2.gz AZVXCPZZNLTABX-NHCUHLMSSA-N 2 0 357.498 3.395 20 0 FGADRP CC(C)[NH+](CCNC(=O)N[C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)C(C)C ZINC000488555291 502749928 /nfs/dbraw/zinc/74/99/28/502749928.db2.gz GCMTZVHITZOZFC-CTNGQTDRSA-N 2 0 374.573 3.315 20 0 FGADRP C[C@@H](C(=O)Nc1ccc2ccn(CC[NH+](C)C)c2c1)[NH+]1[C@H](C)CC[C@H]1C ZINC000463336142 502762973 /nfs/dbraw/zinc/76/29/73/502762973.db2.gz QAJYBNSRVAWARA-ZACQAIPSSA-N 2 0 356.514 3.403 20 0 FGADRP CCc1ccc([C@@H](CNC(=O)NC2CC([NH+]3CCCCC3)C2)[NH+](C)C)cc1 ZINC000473970138 502766012 /nfs/dbraw/zinc/76/60/12/502766012.db2.gz ONPDIPPKLUQMAA-XVAXZDLZSA-N 2 0 372.557 3.168 20 0 FGADRP CC(C)CN(C(=O)CN[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)C(C)C ZINC000481175559 502773129 /nfs/dbraw/zinc/77/31/29/502773129.db2.gz WQJVSKIHWXWLRE-PZJWPPBQSA-N 2 0 359.558 3.380 20 0 FGADRP CC[C@H](C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1)[NH+](CC)CC ZINC000484938892 502781685 /nfs/dbraw/zinc/78/16/85/502781685.db2.gz MIZGURGIWKVIAX-PCCBWWKXSA-N 2 0 357.542 3.087 20 0 FGADRP CCN(C(=O)NCC[NH+](CC)C1CC1)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000474019715 502781870 /nfs/dbraw/zinc/78/18/70/502781870.db2.gz XASHFDDACFODDB-NQIIRXRSSA-N 2 0 372.557 3.338 20 0 FGADRP CCN(C(=O)N[C@@H]1CC[NH+](C)[C@H](C)C1)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000474042571 502787749 /nfs/dbraw/zinc/78/77/49/502787749.db2.gz YBCZEQNHICYGCZ-KOUHRCEDSA-N 2 0 372.557 3.336 20 0 FGADRP CC1CC[NH+](CC(=O)NCc2ccccc2C[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000474051665 502790882 /nfs/dbraw/zinc/79/08/82/502790882.db2.gz CJSFRHNMDSWIFJ-IBGZPJMESA-N 2 0 357.542 3.409 20 0 FGADRP C[C@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)C1CCC(F)(F)CC1 ZINC000474084209 502803307 /nfs/dbraw/zinc/80/33/07/502803307.db2.gz SQSQYSGXWFXKLH-HNNXBMFYSA-N 2 0 367.484 3.282 20 0 FGADRP C[C@H](CNC(=O)N1CCC(CCC[NH+](C)C)CC1)[N@@H+]1CCCC[C@H]1C ZINC000500816107 502869631 /nfs/dbraw/zinc/86/96/31/502869631.db2.gz WWPBHHHVMJINHL-QZTJIDSGSA-N 2 0 352.567 3.013 20 0 FGADRP CCCN(CC[NH+]1CCCC1)C(=O)NCc1cccc(C[N@H+](C)CC)c1 ZINC000489275715 502916527 /nfs/dbraw/zinc/91/65/27/502916527.db2.gz HHEBCZOIOKEEDO-UHFFFAOYSA-N 2 0 360.546 3.156 20 0 FGADRP C[C@@H](c1ccccc1Br)[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000501039294 502919293 /nfs/dbraw/zinc/91/92/93/502919293.db2.gz VWMHAXQYFMPKQX-HNNXBMFYSA-N 2 0 354.336 3.079 20 0 FGADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)NC[C@H](c1ccc(C)cc1)[NH+](C)C ZINC000501045897 502921033 /nfs/dbraw/zinc/92/10/33/502921033.db2.gz OFXPEQHMUJEIJR-VQTJNVASSA-N 2 0 360.546 3.161 20 0 FGADRP CC(C)N(C(=O)[C@H](C)[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1)C(C)C ZINC000501063595 502925759 /nfs/dbraw/zinc/92/57/59/502925759.db2.gz QJSMTWRTIXTZEL-SFHVURJKSA-N 2 0 360.546 3.264 20 0 FGADRP C[C@@H](C(=O)N(C)c1ccccc1)[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501063282 502925829 /nfs/dbraw/zinc/92/58/29/502925829.db2.gz NFLCHDZYVHHQRX-SFHVURJKSA-N 2 0 366.509 3.281 20 0 FGADRP CC[C@H](C)[NH2+][C@@H](CNC(=O)NCC[N@@H+]1CCCC(C)(C)C1)c1ccco1 ZINC000509586530 502942109 /nfs/dbraw/zinc/94/21/09/502942109.db2.gz HIWVRARCKIFJFS-IRXDYDNUSA-N 2 0 364.534 3.130 20 0 FGADRP C[C@H]1C[C@@H](CC[NH2+]Cc2ccc(C(=O)N(C)C)[nH]2)C[N@@H+]1Cc1ccccc1 ZINC000513493906 502952234 /nfs/dbraw/zinc/95/22/34/502952234.db2.gz DLPZZRGLMZTVIQ-PKOBYXMFSA-N 2 0 368.525 3.107 20 0 FGADRP C[C@@H]1C[N@@H+](CCCC[NH2+][C@@H](Cc2ccccn2)c2cccnc2)C[C@H](C)O1 ZINC000513505465 502955438 /nfs/dbraw/zinc/95/54/38/502955438.db2.gz KOGCAWJLYCMSIL-JQVVWYNYSA-N 2 0 368.525 3.239 20 0 FGADRP CC(C)[C@@H](CNC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)[NH+]1CCC(C)CC1 ZINC000501186635 502955614 /nfs/dbraw/zinc/95/56/14/502955614.db2.gz KGISGEJGCBUPKG-RTWAWAEBSA-N 2 0 374.573 3.345 20 0 FGADRP O=C(NCC1([NH+]2CCCCC2)CCCCC1)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000505703228 502970130 /nfs/dbraw/zinc/97/01/30/502970130.db2.gz MMASCMYCBMGPFC-RTBURBONSA-N 2 0 362.562 3.101 20 0 FGADRP COCC[C@H](c1ccccc1)[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000497495847 502973181 /nfs/dbraw/zinc/97/31/81/502973181.db2.gz OPFGBLAMSGCVFR-IUPYZPJSSA-N 2 0 357.542 3.007 20 0 FGADRP CC(C)c1ccc2c(c1)[C@H](NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1)CCCO2 ZINC000489520234 502977880 /nfs/dbraw/zinc/97/78/80/502977880.db2.gz CHFYNXZIYVXUTQ-UYAOXDASSA-N 2 0 373.541 3.201 20 0 FGADRP C[C@H](CNC(=O)NCCCC[N@@H+]1CCCC[C@H]1C)[NH+]1CCCC[C@@H]1C ZINC000501491970 503019666 /nfs/dbraw/zinc/01/96/66/503019666.db2.gz QCBQQSFKEFZZBO-CEXWTWQISA-N 2 0 352.567 3.203 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000501508049 503023686 /nfs/dbraw/zinc/02/36/86/503023686.db2.gz XYNJSJVZUYHUOT-SJLPKXTDSA-N 2 0 366.575 3.305 20 0 FGADRP Cc1cccc(NC(=O)[C@H](C)[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)c1 ZINC000506012884 503028497 /nfs/dbraw/zinc/02/84/97/503028497.db2.gz OMUYZZQZIJVKAQ-IBGZPJMESA-N 2 0 373.541 3.146 20 0 FGADRP c1ccc(CCOCCC[NH+]2CCC(CC[NH+]3CCOCC3)CC2)cc1 ZINC000513821329 503030410 /nfs/dbraw/zinc/03/04/10/503030410.db2.gz HDZZWAHCFDDKFB-UHFFFAOYSA-N 2 0 360.542 3.070 20 0 FGADRP c1cc2n(n1)C[C@H](C[NH2+]Cc1ccccc1C[NH+]1CCCCCC1)CN2 ZINC000602908964 506347827 /nfs/dbraw/zinc/34/78/27/506347827.db2.gz JZSQWAJKWPYUGU-GOSISDBHSA-N 2 0 353.514 3.091 20 0 FGADRP OC(C[NH+]1CC[C@@H](c2ccccc2)C1)C[N@@H+]1CC[C@@H](c2ccccc2)C1 ZINC000497767092 503036874 /nfs/dbraw/zinc/03/68/74/503036874.db2.gz IGZKTWURAJRCKY-FGZHOGPDSA-N 2 0 350.506 3.326 20 0 FGADRP C[C@H]1CCC[N@H+](CCNC(=O)NCc2ccccc2C[NH+]2CCCCC2)C1 ZINC000501555773 503037091 /nfs/dbraw/zinc/03/70/91/503037091.db2.gz XHNUDZWADIAAQN-IBGZPJMESA-N 2 0 372.557 3.204 20 0 FGADRP CC[NH+](CC)CCCNC(=O)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000513899970 503044696 /nfs/dbraw/zinc/04/46/96/503044696.db2.gz NQVXUKQHJPFUQG-UHFFFAOYSA-N 2 0 374.573 3.068 20 0 FGADRP C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000501734554 503069282 /nfs/dbraw/zinc/06/92/82/503069282.db2.gz KUCNDEQFZGBRGO-GOSISDBHSA-N 2 0 367.484 3.120 20 0 FGADRP Cc1cc(C)c(CCNC(=O)C[NH+]2CCC(CCC[NH+](C)C)CC2)c(C)c1 ZINC000501769828 503076076 /nfs/dbraw/zinc/07/60/76/503076076.db2.gz KBZQBZYRTSICCH-UHFFFAOYSA-N 2 0 373.585 3.324 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)N[C@@H](C)C[NH+]1CCCCC1)c1ccccc1 ZINC000501808627 503084800 /nfs/dbraw/zinc/08/48/00/503084800.db2.gz DDNNTRXXQTUORF-ICSRJNTNSA-N 2 0 360.546 3.243 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)N[C@H](C)CC[NH+](C)C)c1ccccc1Cl ZINC000514148198 503099345 /nfs/dbraw/zinc/09/93/45/503099345.db2.gz CYEQZOHZGMAWPK-QAPCUYQASA-N 2 0 368.953 3.362 20 0 FGADRP C[C@H](CCNC(=O)N[C@@H](C)[C@H](c1ccccc1)[NH+](C)C)[NH+]1CCCCC1 ZINC000501937406 503111928 /nfs/dbraw/zinc/11/19/28/503111928.db2.gz ICDJEOOCLDAGFK-WSTZPKSXSA-N 2 0 360.546 3.242 20 0 FGADRP CC(C)Cn1ccnc1CNC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H]1C ZINC000498155393 503119793 /nfs/dbraw/zinc/11/97/93/503119793.db2.gz JHDYLEMHSPKNRW-PKOBYXMFSA-N 2 0 369.513 3.001 20 0 FGADRP CCC[NH+]1CCC(CNC(=O)N[C@@H](C)[C@H](c2ccccc2C)[NH+](C)C)CC1 ZINC000490185703 503125808 /nfs/dbraw/zinc/12/58/08/503125808.db2.gz ZNHNQEBRUOZIEZ-GHTZIAJQSA-N 2 0 374.573 3.407 20 0 FGADRP CC(C)(C)NC(=O)C[NH+]1CCC(C[NH2+][C@H]2CCC[C@@H]2CCCF)CC1 ZINC000510677267 503170742 /nfs/dbraw/zinc/17/07/42/503170742.db2.gz ANXIIEBGLKQRDG-MSOLQXFVSA-N 2 0 355.542 3.121 20 0 FGADRP CCCC[N@H+](C)CCNC(=O)N1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000506812336 503177314 /nfs/dbraw/zinc/17/73/14/503177314.db2.gz CIAXKBRZQFXYSV-OALUTQOASA-N 2 0 352.567 3.014 20 0 FGADRP CC[NH+]1CCC(CCNC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)CC1 ZINC000498405172 503180476 /nfs/dbraw/zinc/18/04/76/503180476.db2.gz ZBWZYTMSMHHQPR-GHTZIAJQSA-N 2 0 372.557 3.071 20 0 FGADRP CC[NH+]1CCC(CCNC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)CC1 ZINC000498405175 503180654 /nfs/dbraw/zinc/18/06/54/503180654.db2.gz ZBWZYTMSMHHQPR-WIYYLYMNSA-N 2 0 372.557 3.071 20 0 FGADRP CCN1CC[NH+](CCCC[NH2+][C@H](C)CCc2c(F)cccc2F)CC1 ZINC000510736177 503181889 /nfs/dbraw/zinc/18/18/89/503181889.db2.gz QGLCVVLUAQXJEQ-QGZVFWFLSA-N 2 0 353.501 3.293 20 0 FGADRP CC[NH+](CC)CC1CC[NH+](Cc2cc(OC)c(OC)cc2OC)CC1 ZINC000506868601 503187417 /nfs/dbraw/zinc/18/74/17/503187417.db2.gz SMJKBYNXGUOGKQ-UHFFFAOYSA-N 2 0 350.503 3.266 20 0 FGADRP COc1ccc(OCc2ccccn2)c(C[NH+]2CCC(C[NH+](C)C)CC2)c1 ZINC000506878617 503187930 /nfs/dbraw/zinc/18/79/30/503187930.db2.gz ZZRQOUOUGPMJCI-UHFFFAOYSA-N 2 0 369.509 3.443 20 0 FGADRP CCCC[N@H+](C)CC1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC000498505894 503198664 /nfs/dbraw/zinc/19/86/64/503198664.db2.gz NUMPDBCMHVHFQF-HXUWFJFHSA-N 2 0 351.579 3.467 20 0 FGADRP CCCN(CC[NH+]1CCCC1)C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000498596416 503223651 /nfs/dbraw/zinc/22/36/51/503223651.db2.gz PSJKEZZPAMQYQB-UHFFFAOYSA-N 2 0 364.578 3.301 20 0 FGADRP Cc1nn(-c2ccc(Br)cc2)c(C)c1C[NH2+][C@@H](C)C[C@@H](C)[NH3+] ZINC000514937937 503231338 /nfs/dbraw/zinc/23/13/38/503231338.db2.gz JFSRBBDBBCEYIR-NEPJUHHUSA-N 2 0 365.319 3.467 20 0 FGADRP CC(C)[N@@H+]1CCCN(C(=O)N[C@@H](C)[C@H]2CC[NH+](Cc3ccccc3)C2)CC1 ZINC000498709396 503243836 /nfs/dbraw/zinc/24/38/36/503243836.db2.gz IVAQWWJRIWVRJL-FPOVZHCZSA-N 2 0 372.557 3.023 20 0 FGADRP Cc1cc([C@H](C)[NH2+]CCCC[NH+]2CCN(c3cccc(C)c3)CC2)nn1C ZINC000502709059 503256213 /nfs/dbraw/zinc/25/62/13/503256213.db2.gz SOLCZHPUQSXRKO-FQEVSTJZSA-N 2 0 369.557 3.290 20 0 FGADRP CCCC[N@H+](C)CCNC(=O)N1CCC[NH+](CC2CCCCC2)CC1 ZINC000491059959 503267460 /nfs/dbraw/zinc/26/74/60/503267460.db2.gz LYQPNKJHVMHUGD-UHFFFAOYSA-N 2 0 352.567 3.016 20 0 FGADRP FC(F)(F)c1cccc(CCCC[NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)c1 ZINC000491131305 503277515 /nfs/dbraw/zinc/27/75/15/503277515.db2.gz CRCNGMCZXXCURX-GOSISDBHSA-N 2 0 355.448 3.008 20 0 FGADRP COc1cccc(C[NH+]2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)c1OC(F)F ZINC000515139591 503279840 /nfs/dbraw/zinc/27/98/40/503279840.db2.gz PGYACTRDCHLMPK-RDJZCZTQSA-N 2 0 370.440 3.015 20 0 FGADRP Cn1c(=O)oc2cc(C[NH2+]C[C@@H]3CCCN(C)[C@H]3c3cccs3)ccc21 ZINC000511242057 503285747 /nfs/dbraw/zinc/28/57/47/503285747.db2.gz LSYWVJIGNJCCSZ-HNAYVOBHSA-N 2 0 371.506 3.366 20 0 FGADRP CC(C)[NH+](CCN(C)C(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1)C(C)C ZINC000502840444 503286597 /nfs/dbraw/zinc/28/65/97/503286597.db2.gz PPQXIBVFKYBZGQ-SFHVURJKSA-N 2 0 364.534 3.177 20 0 FGADRP C[C@@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000507447812 503300167 /nfs/dbraw/zinc/30/01/67/503300167.db2.gz IWGFJXIAOAIITD-INIZCTEOSA-N 2 0 365.949 3.399 20 0 FGADRP CC[C@H]([NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1c(C)nn(C)c1C ZINC000515413289 503332921 /nfs/dbraw/zinc/33/29/21/503332921.db2.gz QZICTCPZXFRAEK-UEXGIBASSA-N 2 0 354.498 3.334 20 0 FGADRP CC[C@@H](C[NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)c1ccccc1 ZINC000503046347 503334651 /nfs/dbraw/zinc/33/46/51/503334651.db2.gz DADJJSUOUSRQNR-IBGZPJMESA-N 2 0 353.510 3.261 20 0 FGADRP CC[C@@H](CC1CCCC1)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000511549614 503341873 /nfs/dbraw/zinc/34/18/73/503341873.db2.gz DPTCCHIDGUCTNG-FQEVSTJZSA-N 2 0 372.557 3.316 20 0 FGADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)NCC1([NH+](C)C)CCCC1)c1ccccc1 ZINC000503091071 503345277 /nfs/dbraw/zinc/34/52/77/503345277.db2.gz DZIMYRSGAHJBBU-QGZVFWFLSA-N 2 0 360.546 3.289 20 0 FGADRP O=C(Nc1ccc(CC[NH+]2CCCCC2)cc1)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000515494792 503351048 /nfs/dbraw/zinc/35/10/48/503351048.db2.gz GPRHJOABKGLRHX-LEWJYISDSA-N 2 0 370.541 3.225 20 0 FGADRP C[C@H]([NH2+]CCC(=O)N1CCOc2ccccc21)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000503198184 503364958 /nfs/dbraw/zinc/36/49/58/503364958.db2.gz KKOJXQFTNANEIF-ZWKOTPCHSA-N 2 0 371.525 3.045 20 0 FGADRP CC[C@@H]1C[C@H](C[NH+]2CCC(CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)CCO1 ZINC000507800227 503368423 /nfs/dbraw/zinc/36/84/23/503368423.db2.gz ZCACLNWRZLCOFZ-KOUHRCEDSA-N 2 0 352.563 3.403 20 0 FGADRP CC[C@H](C)[NH2+][C@@H](CNC(=O)NC[C@@H]1[N@H+](C)CCCC1(C)C)c1ccco1 ZINC000503390456 503399436 /nfs/dbraw/zinc/39/94/36/503399436.db2.gz LTOJHBJAWWLAGC-BQFCYCMXSA-N 2 0 364.534 3.128 20 0 FGADRP C[C@@H]1[C@@H](NC(=O)N[C@@H]2CC[NH+](Cc3ccccc3)CC2(C)C)CCC[N@@H+]1C ZINC000511882873 503407274 /nfs/dbraw/zinc/40/72/74/503407274.db2.gz XOQSNOLBHDNJOI-YZGWKJHDSA-N 2 0 372.557 3.069 20 0 FGADRP C[C@@H]1[C@H](NC(=O)N[C@H]2CC[NH+](Cc3ccccc3)CC2(C)C)CCC[N@@H+]1C ZINC000511882872 503407397 /nfs/dbraw/zinc/40/73/97/503407397.db2.gz XOQSNOLBHDNJOI-RLLQIKCJSA-N 2 0 372.557 3.069 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CCc1ccccc1Cl ZINC000499496984 503418970 /nfs/dbraw/zinc/41/89/70/503418970.db2.gz GTKBKGQLLKLNJO-GOSISDBHSA-N 2 0 365.949 3.147 20 0 FGADRP Cc1cnn(C)c1C[NH2+]CCc1ccc(OCC[NH+]2C[C@@H](C)[C@H](C)C2)cc1 ZINC000511978164 503427330 /nfs/dbraw/zinc/42/73/30/503427330.db2.gz LWKMYPUUAILDGQ-RTBURBONSA-N 2 0 370.541 3.027 20 0 FGADRP CC(C)[NH+]1CCN(CCC[NH2+][C@H]2CCC[C@@H]2OCc2ccccc2)CC1 ZINC000503525398 503429099 /nfs/dbraw/zinc/42/90/99/503429099.db2.gz DSDHAUFAPFVAML-VXKWHMMOSA-N 2 0 359.558 3.130 20 0 FGADRP CC(C)[NH+]1CCN(CCC[NH2+][C@@H]2CCC[C@H]2OCc2ccccc2)CC1 ZINC000503525397 503429264 /nfs/dbraw/zinc/42/92/64/503429264.db2.gz DSDHAUFAPFVAML-FGZHOGPDSA-N 2 0 359.558 3.130 20 0 FGADRP Cc1ccccc1[C@H]([C@H](C)NC(=O)NCC[N@H+](C)C1CCCC1)[NH+](C)C ZINC000493866080 503450850 /nfs/dbraw/zinc/45/08/50/503450850.db2.gz ZOUJZWQVJNJMEG-PXNSSMCTSA-N 2 0 360.546 3.160 20 0 FGADRP COCCN1CCC[C@@H]1C[NH2+][C@H]1CCc2cc(Br)cc(C)c21 ZINC000493966417 503467315 /nfs/dbraw/zinc/46/73/15/503467315.db2.gz AQMKHUFICUTUBH-SJORKVTESA-N 2 0 367.331 3.445 20 0 FGADRP C[C@@H]1[C@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000494079380 503484123 /nfs/dbraw/zinc/48/41/23/503484123.db2.gz NPBPQKZLJZVOMN-SYYKKAFVSA-N 2 0 369.553 3.420 20 0 FGADRP C[C@@H]1CN(C(=O)NCCC2CC[NH+](C)CC2)[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC000499797364 503485065 /nfs/dbraw/zinc/48/50/65/503485065.db2.gz OEBPTBHJGXHKHK-MOPGFXCFSA-N 2 0 372.557 3.023 20 0 FGADRP C[NH2+]C[C@@](C)(O)CN(C)Cc1cn(-c2ccccc2)nc1-c1cccs1 ZINC000516300599 503490136 /nfs/dbraw/zinc/49/01/36/503490136.db2.gz DTDPJVZAZJXXDR-HXUWFJFHSA-N 2 0 370.522 3.003 20 0 FGADRP CCc1ccc([C@H](CNC(=O)NC2CC[NH+](CC(C)C)CC2)[NH+](C)C)cc1 ZINC000504036921 503513653 /nfs/dbraw/zinc/51/36/53/503513653.db2.gz OYSDWTZBZGLTOD-NRFANRHFSA-N 2 0 374.573 3.271 20 0 FGADRP Cc1nc2ccc(C[NH2+]C3CCN(C4CC[NH+](C)CC4)CC3)cc2s1 ZINC000494373334 503532585 /nfs/dbraw/zinc/53/25/85/503532585.db2.gz XACMADPPQHLWHL-UHFFFAOYSA-N 2 0 358.555 3.253 20 0 FGADRP CC(C)N(CC[NH+](C)C)C(=O)NCC[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000512416600 503543953 /nfs/dbraw/zinc/54/39/53/503543953.db2.gz ANHZPRKFLAZTNC-CTNGQTDRSA-N 2 0 374.573 3.269 20 0 FGADRP C[C@H](O)C[C@H]1CCCCC[N@@H+]1CCC[NH+]1CCCCC[C@H]1C[C@H](C)O ZINC000512439323 503550890 /nfs/dbraw/zinc/55/08/90/503550890.db2.gz QAMQONNZYSBDCY-XSDIEEQYSA-N 2 0 354.579 3.408 20 0 FGADRP C[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]Cc2ccccc2Cn2cncn2)CC1 ZINC000508730018 503553189 /nfs/dbraw/zinc/55/31/89/503553189.db2.gz MAACLCHVWIRZRH-PGRDOPGGSA-N 2 0 367.541 3.459 20 0 FGADRP CCC[NH+]1CCC(CNC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000500230980 503584513 /nfs/dbraw/zinc/58/45/13/503584513.db2.gz AARNIEJEFYKSNX-OAQYLSRUSA-N 2 0 357.542 3.137 20 0 FGADRP C[N@H+](C[C@H](O)COc1c(Cl)cccc1Cl)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000512581454 503588473 /nfs/dbraw/zinc/58/84/73/503588473.db2.gz HRYCKXRAGKEBHY-IXXDHKBRSA-N 2 0 373.324 3.290 20 0 FGADRP Cc1ccccc1[C@@H]([C@@H](C)NC(=O)N1CCC(CC[NH+](C)C)CC1)[NH+](C)C ZINC000508898125 503593213 /nfs/dbraw/zinc/59/32/13/503593213.db2.gz KLOJCLRDLPNJBV-WIYYLYMNSA-N 2 0 374.573 3.360 20 0 FGADRP Cc1ccccc1[C@H]([C@@H](C)NC(=O)N1CCC[C@H]1C[NH+]1CCCC1)[NH+](C)C ZINC000508899184 503594177 /nfs/dbraw/zinc/59/41/77/503594177.db2.gz OAMCJBNROYZAHY-DYXWJJEUSA-N 2 0 372.557 3.256 20 0 FGADRP C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000494894638 503632286 /nfs/dbraw/zinc/63/22/86/503632286.db2.gz BENRNTWGPTYSAQ-YADHBBJMSA-N 2 0 363.505 3.143 20 0 FGADRP CCCN(CC[NH+]1CCCCC1)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000500567657 503647909 /nfs/dbraw/zinc/64/79/09/503647909.db2.gz YSEPSVLKNNGOII-RTWAWAEBSA-N 2 0 372.557 3.339 20 0 FGADRP COc1ccc([C@@H](CNC(=O)C[NH2+][C@@H]2CCC2(C)C)[NH+]2CCCCC2)cc1 ZINC000517172515 503662536 /nfs/dbraw/zinc/66/25/36/503662536.db2.gz XQJIBSYGBTXLBO-WOJBJXKFSA-N 2 0 373.541 3.117 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@@H](C)c1ccc(Cl)s1 ZINC000495118869 503674172 /nfs/dbraw/zinc/67/41/72/503674172.db2.gz JCBBIVCBZMNFFM-GJZGRUSLSA-N 2 0 371.978 3.380 20 0 FGADRP COc1ccc([C@@H](CNC(=O)C[N@@H+]2CCC(C)(C)C2)[NH+]2CCCCC2)cc1 ZINC000532983315 503686451 /nfs/dbraw/zinc/68/64/51/503686451.db2.gz DQBJQHZACSHFHY-HXUWFJFHSA-N 2 0 373.541 3.070 20 0 FGADRP CC[C@H](C)[C@@H](C)[NH2+][C@@H](C)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000540187084 503701886 /nfs/dbraw/zinc/70/18/86/503701886.db2.gz HCKRZKAQAJYVRI-BBWFWOEESA-N 2 0 369.575 3.002 20 0 FGADRP Cn1c2ccc(C[NH2+]C[C@@H]3CC[N@H+](Cc4ccccc4)C3)cc2sc1=O ZINC000527238967 503734069 /nfs/dbraw/zinc/73/40/69/503734069.db2.gz WKLHCAMFVXSTLJ-SFHVURJKSA-N 2 0 367.518 3.212 20 0 FGADRP COc1ccc2c(c1)[C@H]([NH2+]C1CC[NH+]([C@@H]3CCCC[C@H]3O)CC1)CCC2 ZINC000536849914 503740964 /nfs/dbraw/zinc/74/09/64/503740964.db2.gz FKFFMKDCSFWSPH-YPAWHYETSA-N 2 0 358.526 3.430 20 0 FGADRP CC[N@@H+](Cc1cn(-c2cc[nH+]cc2)nc1C)C[C@H]1COc2ccccc2O1 ZINC000543396972 503752403 /nfs/dbraw/zinc/75/24/03/503752403.db2.gz SLAIRMNAHNLENJ-IBGZPJMESA-N 2 0 364.449 3.238 20 0 FGADRP O[C@@]1(C[NH2+]Cc2cccc(-c3cccnc3)c2)CCN(Cc2ccccc2)C1 ZINC000533187827 503754454 /nfs/dbraw/zinc/75/44/54/503754454.db2.gz SSPUCRZQYQGJNI-XMMPIXPASA-N 2 0 373.500 3.475 20 0 FGADRP Cc1ncc(C[NH2+]CCc2ccc(OCC[NH+]3C[C@@H](C)[C@H](C)C3)cc2)cn1 ZINC000537021843 503779423 /nfs/dbraw/zinc/77/94/23/503779423.db2.gz PACOLBALHCVOQU-QZTJIDSGSA-N 2 0 368.525 3.084 20 0 FGADRP Cc1ccc(CC[NH+]2CCN(CC[N@@H+](C)Cc3ccccc3)CC2)cc1 ZINC000533282141 503790299 /nfs/dbraw/zinc/79/02/99/503790299.db2.gz RUKKBQXYQKYEON-UHFFFAOYSA-N 2 0 351.538 3.287 20 0 FGADRP CC[C@@H]1CCC[N@@H+]1CC(=O)NC[C@@H](c1ccc(OC)cc1)[NH+]1CCCCC1 ZINC000533287208 503791651 /nfs/dbraw/zinc/79/16/51/503791651.db2.gz WVPKABYWGXWRTP-CTNGQTDRSA-N 2 0 373.541 3.213 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)NCC[N@H+]1CC=C(C)CC1)c1ccsc1 ZINC000546567750 503791861 /nfs/dbraw/zinc/79/18/61/503791861.db2.gz JGXQVVZCLXRGFO-GOSISDBHSA-N 2 0 364.559 3.082 20 0 FGADRP O=C(NC[C@H]1CC[N@@H+]1C1CCCC1)c1cccc(C[NH+]2CCCCC2)c1 ZINC000530023353 503796658 /nfs/dbraw/zinc/79/66/58/503796658.db2.gz UXMVBVKZZAXKJH-OAQYLSRUSA-N 2 0 355.526 3.419 20 0 FGADRP COC(=O)c1coc(C[NH2+]CC[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)c1 ZINC000543634400 503836177 /nfs/dbraw/zinc/83/61/77/503836177.db2.gz ZCCQXKCFWIZPEJ-AEFFLSMTSA-N 2 0 356.466 3.457 20 0 FGADRP COC(=O)c1ccc(C[NH2+]CC[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)o1 ZINC000540628416 503838413 /nfs/dbraw/zinc/83/84/13/503838413.db2.gz ZTEOYXWFCFMCLG-FUHWJXTLSA-N 2 0 356.466 3.457 20 0 FGADRP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@@H+](CC(C)C)C3CC3)CC2)cc1 ZINC000537260621 503862503 /nfs/dbraw/zinc/86/25/03/503862503.db2.gz XTBYIEYZAUMACX-UHFFFAOYSA-N 2 0 357.542 3.150 20 0 FGADRP C[C@@H]1C[C@@H](NC(=O)CCN(C)c2cc[nH+]cc2)CC[N@@H+]1Cc1ccccc1 ZINC000543713761 503863141 /nfs/dbraw/zinc/86/31/41/503863141.db2.gz UTBKTEZWQLGFAU-QUCCMNQESA-N 2 0 366.509 3.077 20 0 FGADRP OC[C@H](C[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21)Cc1ccco1 ZINC000543762212 503883110 /nfs/dbraw/zinc/88/31/10/503883110.db2.gz ISNZKCFPDVAAFX-KKSHJYNMSA-N 2 0 368.521 3.321 20 0 FGADRP Clc1ccc(OCC[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)c(Cl)c1 ZINC000530240040 503889086 /nfs/dbraw/zinc/88/90/86/503889086.db2.gz WTKMFSRBKIAXMS-MRXNPFEDSA-N 2 0 373.324 3.463 20 0 FGADRP c1ccc2cc(OCC[NH+]3CCC(CO[C@H]4CC[NH2+]C4)CC3)ccc2c1 ZINC000530240969 503889174 /nfs/dbraw/zinc/88/91/74/503889174.db2.gz OKSZHFAZOGPDJE-QFIPXVFZSA-N 2 0 354.494 3.309 20 0 FGADRP Cc1oc(-c2ccsc2)nc1C[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530242315 503891244 /nfs/dbraw/zinc/89/12/44/503891244.db2.gz SMQVFRRFVVHCMY-QGZVFWFLSA-N 2 0 361.511 3.302 20 0 FGADRP COc1ccc(C[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)c2ccccc12 ZINC000530248823 503894468 /nfs/dbraw/zinc/89/44/68/503894468.db2.gz PYPXLFZNSNRRIC-LJQANCHMSA-N 2 0 354.494 3.439 20 0 FGADRP COc1cc(C[NH2+]C(C)(C)CCN2CC[NH+](C)CC2)cc(C(F)(F)F)c1 ZINC000527692338 503898364 /nfs/dbraw/zinc/89/83/64/503898364.db2.gz NMFAXNSXYZEVTF-UHFFFAOYSA-N 2 0 373.463 3.220 20 0 FGADRP CCO[C@@H]1C[C@H]([NH2+][C@@H](C)c2cccc(OCC[NH+](C)C)c2)[C@@]12CCCO2 ZINC000546874259 503911772 /nfs/dbraw/zinc/91/17/72/503911772.db2.gz KSGWBDJOCWTTJV-DVWBAYGPSA-N 2 0 362.514 3.004 20 0 FGADRP CC[NH+](CC)CCCC1CCN(C(=O)NC[C@H](C)C[NH+]2CCCC2)CC1 ZINC000543908373 503938225 /nfs/dbraw/zinc/93/82/25/503938225.db2.gz NPPJTCBRVLILPJ-IBGZPJMESA-N 2 0 366.594 3.262 20 0 FGADRP CC1CC[NH+]([C@H](CNC(=O)NC[C@@H]2CCC[C@H]([NH3+])C2)c2ccccc2)CC1 ZINC000518344773 503957680 /nfs/dbraw/zinc/95/76/80/503957680.db2.gz XTMNEDZDZJEMGS-HLAWJBBLSA-N 2 0 372.557 3.276 20 0 FGADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)NCCC[NH+]2CCCC[C@H]2C)C1 ZINC000518402360 503975097 /nfs/dbraw/zinc/97/50/97/503975097.db2.gz XNEFNOJZCDVCGM-SVFBPWRDSA-N 2 0 372.557 3.386 20 0 FGADRP CC[N@H+](C)[C@H](C(=O)NC[C@@H](C)[NH+](C)Cc1ccccc1)c1ccccc1 ZINC000518438130 503983362 /nfs/dbraw/zinc/98/33/62/503983362.db2.gz MIUVVHNKIMBMAG-NQIIRXRSSA-N 2 0 353.510 3.316 20 0 FGADRP CC(C)c1cccc([C@H](C)[NH2+]CC2(N3CCOCC3)CC[NH+](C)CC2)c1 ZINC000527907978 503993882 /nfs/dbraw/zinc/99/38/82/503993882.db2.gz JLRFJLSJVLCLBY-IBGZPJMESA-N 2 0 359.558 3.257 20 0 FGADRP CC[NH+](CC)CCCC1CC[NH+]([C@@H](C)C(=O)N2CCC(C)CC2)CC1 ZINC000541085757 504002248 /nfs/dbraw/zinc/00/22/48/504002248.db2.gz JPHTVXXTAHJAOF-IBGZPJMESA-N 2 0 351.579 3.467 20 0 FGADRP C[C@@H]([NH2+]C[C@H]1CCN1C1CCCCC1)c1ccc(N2CCNC2=O)cc1 ZINC000527947197 504010165 /nfs/dbraw/zinc/01/01/65/504010165.db2.gz KDZFNZRKTTVKEH-OXQOHEQNSA-N 2 0 356.514 3.274 20 0 FGADRP C[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(F)c(NC2CC[NH+](C)CC2)c1 ZINC000537757192 504029518 /nfs/dbraw/zinc/02/95/18/504029518.db2.gz PMKUWVIWBWFNAL-HNNXBMFYSA-N 2 0 362.493 3.145 20 0 FGADRP C[C@@H]1C[NH+](Cc2ccc(C[NH2+][C@@H]3[C@@H]4CCO[C@H]4C34CCC4)cc2)C[C@@H](C)O1 ZINC000534063955 504030678 /nfs/dbraw/zinc/03/06/78/504030678.db2.gz XMQFXLVLQYMZJE-LQDXOGNASA-N 2 0 370.537 3.343 20 0 FGADRP C[C@@H]([NH2+]CC(C)(C)C(=O)N1CCCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000528016299 504041299 /nfs/dbraw/zinc/04/12/99/504041299.db2.gz RDSLGBSBLQKTTP-UYAOXDASSA-N 2 0 357.542 3.135 20 0 FGADRP C[C@@H]1c2ccccc2CC[N@H+]1CC(=O)N1CCN(Cc2cccs2)CC1 ZINC000530662384 504043587 /nfs/dbraw/zinc/04/35/87/504043587.db2.gz TXXVHHYQEGIXLP-QGZVFWFLSA-N 2 0 369.534 3.012 20 0 FGADRP Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)[NH2+]C[C@@]1(O)CCN(C)C1 ZINC000547281521 504046898 /nfs/dbraw/zinc/04/68/98/504046898.db2.gz BWPMGYXGUXZLEQ-SGTLLEGYSA-N 2 0 365.930 3.489 20 0 FGADRP C[C@@H](C(=O)NC1CCCC1)[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000534230238 504077339 /nfs/dbraw/zinc/07/73/39/504077339.db2.gz SYZQMZRXPLDRDZ-IBGZPJMESA-N 2 0 369.553 3.422 20 0 FGADRP C[C@@H](CCN1C(=O)c2ccccc2C1=O)[NH2+]CC(C)(C)N1CCC[C@@H](C)C1 ZINC000547367966 504079209 /nfs/dbraw/zinc/07/92/09/504079209.db2.gz XSMCCTZKSPJJFH-SJORKVTESA-N 2 0 371.525 3.161 20 0 FGADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@H](C)[C@@H](c2ccccc2)N2CCOCC2)C1 ZINC000537946348 504092014 /nfs/dbraw/zinc/09/20/14/504092014.db2.gz AREGZVCIQAKBGP-XPNTWCBSSA-N 2 0 373.585 3.406 20 0 FGADRP CC[NH+]1CCC(CCNC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2)CC1 ZINC000530822581 504096526 /nfs/dbraw/zinc/09/65/26/504096526.db2.gz YOAWIGHLSIXIPD-NRFANRHFSA-N 2 0 357.542 3.279 20 0 FGADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCC[C@@H](c2noc(C3CC3)n2)C1 ZINC000544350632 504099020 /nfs/dbraw/zinc/09/90/20/504099020.db2.gz KARUANYOOHYSDP-MRXNPFEDSA-N 2 0 364.453 3.216 20 0 FGADRP C[NH+](C)CCOc1ccc(C[NH2+][C@H]2CCC(=O)Nc3ccccc32)cc1 ZINC000544362397 504104340 /nfs/dbraw/zinc/10/43/40/504104340.db2.gz GWCBQALPHVOEOH-IBGZPJMESA-N 2 0 353.466 3.190 20 0 FGADRP CC[NH+](CC)CCN(Cc1ccccc1)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000519017930 504119719 /nfs/dbraw/zinc/11/97/19/504119719.db2.gz XQBCITJSSOYYEO-SFTDATJTSA-N 2 0 372.557 3.167 20 0 FGADRP COc1cc(OC)c(C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)c(OC)c1 ZINC000534347839 504119807 /nfs/dbraw/zinc/11/98/07/504119807.db2.gz ZEDRRYVDCMVGGA-UHFFFAOYSA-N 2 0 350.503 3.265 20 0 FGADRP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)N2CCC[C@@H]2C[NH+]2CCCC2)C1 ZINC000519176475 504158126 /nfs/dbraw/zinc/15/81/26/504158126.db2.gz ZCWDGEZVJKTQIR-GUDVDZBRSA-N 2 0 364.578 3.013 20 0 FGADRP CC(C)[N@@H+]1CC[C@@H](CNC(=O)NC[C@@]2(C)CCC[NH+]2Cc2ccccc2)C1 ZINC000547633604 504162519 /nfs/dbraw/zinc/16/25/19/504162519.db2.gz RWCNBDJVZJKSBW-RBBKRZOGSA-N 2 0 372.557 3.071 20 0 FGADRP CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+](Cc2cn(-c3cc[nH+]cc3)nc2C)C1 ZINC000541534445 504168030 /nfs/dbraw/zinc/16/80/30/504168030.db2.gz QBKQGHIORJOKGR-SJLPKXTDSA-N 2 0 369.513 3.093 20 0 FGADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)N(CC[NH+](C)C)Cc1ccc(F)c(F)c1 ZINC000541572319 504182113 /nfs/dbraw/zinc/18/21/13/504182113.db2.gz FCCDTOSHVBNZHW-AWEZNQCLSA-N 2 0 355.473 3.022 20 0 FGADRP C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000544605288 504188640 /nfs/dbraw/zinc/18/86/40/504188640.db2.gz JTURZJYRSNXYJB-QZTJIDSGSA-N 2 0 374.529 3.108 20 0 FGADRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N[C@@H]2CC[NH+](C)[C@@H]2c2ccccc2)C1 ZINC000534611370 504190866 /nfs/dbraw/zinc/19/08/66/504190866.db2.gz OCXSSYBEFOTFTI-MISYRCLQSA-N 2 0 372.557 3.242 20 0 FGADRP CCc1ccc([C@H](CNC(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)[NH+](C)C)cc1 ZINC000519383442 504208158 /nfs/dbraw/zinc/20/81/58/504208158.db2.gz WOTBAVRTYARFPU-RTWAWAEBSA-N 2 0 372.557 3.122 20 0 FGADRP C[NH+](C)[C@H](CNC(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1)c1ccc(Cl)cc1 ZINC000531156656 504209502 /nfs/dbraw/zinc/20/95/02/504209502.db2.gz CSVRBYXLZIIXBB-KZNAEPCWSA-N 2 0 366.937 3.115 20 0 FGADRP C[NH+](C)CCN(C(=O)Nc1cccc2ccccc21)C1CC[NH+](C)CC1 ZINC000531172566 504214501 /nfs/dbraw/zinc/21/45/01/504214501.db2.gz NNIKHQJBGGTHGF-UHFFFAOYSA-N 2 0 354.498 3.330 20 0 FGADRP C[C@@H]1C[C@@H](N(C)C(=O)NCCC[NH+]2CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000519479571 504229151 /nfs/dbraw/zinc/22/91/51/504229151.db2.gz DHDTWYAJFXAMED-CTNGQTDRSA-N 2 0 372.557 3.167 20 0 FGADRP CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(CN3CC[NH+](C)CC3)cc2)C12CCCC2 ZINC000538398021 504233833 /nfs/dbraw/zinc/23/38/33/504233833.db2.gz AVKMSFGGGZWCPQ-FCHUYYIVSA-N 2 0 371.569 3.261 20 0 FGADRP CC[NH+]1CCC(N2CCC[N@H+](C[C@H](OC)c3ccc(F)cc3)CC2)CC1 ZINC000528526547 504261223 /nfs/dbraw/zinc/26/12/23/504261223.db2.gz JSRXFZPXABWCNA-NRFANRHFSA-N 2 0 363.521 3.005 20 0 FGADRP C[NH+](C)[C@@H](CNC(=O)NCCC[NH+]1CCCCC1)c1ccc(Cl)cc1 ZINC000531316982 504263439 /nfs/dbraw/zinc/26/34/39/504263439.db2.gz UWFKIUMKKNUORS-SFHVURJKSA-N 2 0 366.937 3.118 20 0 FGADRP COC(=O)c1ccc(C[NH2+]CC[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)[nH]1 ZINC000541922999 504303716 /nfs/dbraw/zinc/30/37/16/504303716.db2.gz WOPMHLSBLXGFPR-WMZOPIPTSA-N 2 0 355.482 3.192 20 0 FGADRP CN(C(=O)CC[NH+](C)C1CCCCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000548061172 504314841 /nfs/dbraw/zinc/31/48/41/504314841.db2.gz NEXSNZKPZDDJJU-NRFANRHFSA-N 2 0 357.542 3.374 20 0 FGADRP C[C@H]([NH2+]C[C@@H](CO)Cc1ccc(F)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000548155494 504350935 /nfs/dbraw/zinc/35/09/35/504350935.db2.gz UIRZATKMBFWYBH-YUXAGFNASA-N 2 0 370.512 3.477 20 0 FGADRP Cc1nc[nH]c1CNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C1CCCC1 ZINC000528742754 504360885 /nfs/dbraw/zinc/36/08/85/504360885.db2.gz ZELRFTUKAFUUHL-VQTJNVASSA-N 2 0 366.509 3.273 20 0 FGADRP C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+][C@@H]1CCn2ccnc2C1 ZINC000548307233 504393672 /nfs/dbraw/zinc/39/36/72/504393672.db2.gz OTXLEQQUTMVFJF-QWHCGFSZSA-N 2 0 366.387 3.224 20 0 FGADRP COCC[N@H+](C)CCC[NH2+][C@H]1CCCc2ccc(Br)cc21 ZINC000538866732 504398413 /nfs/dbraw/zinc/39/84/13/504398413.db2.gz BOYNYDQMCSYLPL-KRWDZBQOSA-N 2 0 355.320 3.384 20 0 FGADRP CC(C)[C@H](O)C(C)(C)C[NH2+]Cc1c(Cl)cccc1N1CC[NH+](C)CC1 ZINC000538879375 504402434 /nfs/dbraw/zinc/40/24/34/504402434.db2.gz QNSLQAUTVKUZLJ-IBGZPJMESA-N 2 0 367.965 3.225 20 0 FGADRP C[C@H](CNC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1)[NH+]1CCCC[C@H]1C ZINC000520178250 504427995 /nfs/dbraw/zinc/42/79/95/504427995.db2.gz WTDLZVWEZHXCTQ-SBHAEUEKSA-N 2 0 357.542 3.278 20 0 FGADRP CC[C@H](C)[N@H+](C)CCNC(=O)NC[C@H]1CCC[NH+]1CC1CCCCC1 ZINC000520242382 504444369 /nfs/dbraw/zinc/44/43/69/504444369.db2.gz LDBWXVXNMDBQRJ-PKOBYXMFSA-N 2 0 352.567 3.061 20 0 FGADRP COc1ccc([C@H](C)[NH2+]C2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)cc1Cl ZINC000539058556 504460819 /nfs/dbraw/zinc/46/08/19/504460819.db2.gz KXQVIOFHIJMQIU-MORSLUCNSA-N 2 0 352.906 3.377 20 0 FGADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1cccc(-c2ccoc2)c1 ZINC000535536531 504463797 /nfs/dbraw/zinc/46/37/97/504463797.db2.gz BURNGWSNRLHMAJ-UHFFFAOYSA-N 2 0 357.498 3.292 20 0 FGADRP Cc1cccc(NC(=O)C[C@H](C)[NH2+]CCCC[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC000539071683 504464827 /nfs/dbraw/zinc/46/48/27/504464827.db2.gz YJDAHTCKFGEOBQ-FHWLQOOXSA-N 2 0 361.530 3.191 20 0 FGADRP CC[N@H+](CCC1CCN(C(=O)N[C@@H](C)CC[NH+](C)C)CC1)CC(C)C ZINC000539176180 504492026 /nfs/dbraw/zinc/49/20/26/504492026.db2.gz MZAPFBPBGYGBBQ-SFHVURJKSA-N 2 0 354.583 3.116 20 0 FGADRP CC[C@@H]([NH2+]CC[C@H]1CCC[N@@H+]1C)c1ccccc1OCC(=O)N1CCCC1 ZINC000539250613 504511969 /nfs/dbraw/zinc/51/19/69/504511969.db2.gz AMBOLZJQYOLYOX-UYAOXDASSA-N 2 0 373.541 3.213 20 0 FGADRP CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)[C@H](C)[NH2+]C(C)(C)CC ZINC000542513854 504521064 /nfs/dbraw/zinc/52/10/64/504521064.db2.gz XEVDQNUASCPZCT-INIZCTEOSA-N 2 0 373.545 3.483 20 0 FGADRP CC[NH+](CC)CC1CC[NH+](C[C@H](O)COc2cc(C)ccc2Cl)CC1 ZINC000542519675 504523533 /nfs/dbraw/zinc/52/35/33/504523533.db2.gz BVHLPDRLXUJOOM-SFHVURJKSA-N 2 0 368.949 3.442 20 0 FGADRP Cc1c([C@@H](C)[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)nnn1-c1ccc(Cl)cc1 ZINC000520565558 504528833 /nfs/dbraw/zinc/52/88/33/504528833.db2.gz ICQVSFXRVCTMGE-OCBCSQNSSA-N 2 0 359.905 3.268 20 0 FGADRP O=C(N[C@H]1CC[NH+](C2CCCC2)C1)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000520734732 504569590 /nfs/dbraw/zinc/56/95/90/504569590.db2.gz PXMQQBIUVIKRMV-ICSRJNTNSA-N 2 0 373.516 3.171 20 0 FGADRP C[NH+]1CCN(c2ncccc2C[NH2+][C@@H](CC2CC2)c2ccccc2)CC1 ZINC000532210631 504573664 /nfs/dbraw/zinc/57/36/64/504573664.db2.gz SMIWQVQIZXVCMQ-NRFANRHFSA-N 2 0 350.510 3.464 20 0 FGADRP CC1(C)CCCC[C@@H]1[NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000532226030 504579244 /nfs/dbraw/zinc/57/92/44/504579244.db2.gz QGMWKCICLRWUNC-UXHICEINSA-N 2 0 357.542 3.442 20 0 FGADRP C[C@H]([NH2+]C1(CNC(=O)NCC2=CC[N@H+](C)CC2)CCCC1)c1ccccc1 ZINC000539475457 504583710 /nfs/dbraw/zinc/58/37/10/504583710.db2.gz QBZDSYLCZINEKZ-SFHVURJKSA-N 2 0 370.541 3.211 20 0 FGADRP CC[C@H]([NH2+][C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C)c1cccs1 ZINC000539688521 504653407 /nfs/dbraw/zinc/65/34/07/504653407.db2.gz FTVRSXDPSIDRRR-ROUUACIJSA-N 2 0 359.539 3.078 20 0 FGADRP CSC1(C[NH2+]Cc2ccc(C)cc2-c2ccnn2C)CC[NH+](C)CC1 ZINC000521120621 504654167 /nfs/dbraw/zinc/65/41/67/504654167.db2.gz BEHXLTRXQUOSNO-UHFFFAOYSA-N 2 0 358.555 3.313 20 0 FGADRP C[C@@H]([NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1)c1ccc(Cl)cc1 ZINC000532485413 504666213 /nfs/dbraw/zinc/66/62/13/504666213.db2.gz IVRGHPZBWYTELW-QGZVFWFLSA-N 2 0 373.932 3.383 20 0 FGADRP CCC[N@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)[C@@H]1CCc2ccccc21 ZINC000521193842 504675086 /nfs/dbraw/zinc/67/50/86/504675086.db2.gz VDDRJYVHWZNNBL-OAQYLSRUSA-N 2 0 355.526 3.129 20 0 FGADRP CC[NH+](CC)CCCC1CCN(C(=O)NC[C@H](C)[N@H+](C)C2CC2)CC1 ZINC000542964713 504675337 /nfs/dbraw/zinc/67/53/37/504675337.db2.gz MRKPUKHXZCDOFS-KRWDZBQOSA-N 2 0 352.567 3.013 20 0 FGADRP CCC[NH+]1CCC(NC(=O)N2CC[N@H+](Cc3ccccc3)[C@@H](CC)C2)CC1 ZINC000546054189 504691469 /nfs/dbraw/zinc/69/14/69/504691469.db2.gz CRONFWMLTIFDFR-NRFANRHFSA-N 2 0 372.557 3.167 20 0 FGADRP C[N@H+](CCN1CC[NH+](C[C@@H]2CCC3(CCCC3)O2)CC1)Cc1ccccc1 ZINC000549139224 504700046 /nfs/dbraw/zinc/70/00/46/504700046.db2.gz TTWQYVFAEBPTIL-QFIPXVFZSA-N 2 0 371.569 3.228 20 0 FGADRP O=C1C[C@H](C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)CN1C1CC1 ZINC000565095183 504792443 /nfs/dbraw/zinc/79/24/43/504792443.db2.gz QYVIBUFUCUIVFK-NMIHRBCNSA-N 2 0 367.537 3.030 20 0 FGADRP C[C@H](C[NH2+]Cc1ccc(Oc2ccc(F)cc2)cc1)N1CC[NH+](C)CC1 ZINC000556149531 504805817 /nfs/dbraw/zinc/80/58/17/504805817.db2.gz ATHUXSHMLIEIFR-QGZVFWFLSA-N 2 0 357.473 3.344 20 0 FGADRP CN(CC[NH+]1CCCC1)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000549584792 504854280 /nfs/dbraw/zinc/85/42/80/504854280.db2.gz SBKIUQFVKLCNGU-HXUWFJFHSA-N 2 0 372.557 3.024 20 0 FGADRP C[C@H](C1CC1)N(Cc1ccccc1)C(=O)C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000556405593 504865138 /nfs/dbraw/zinc/86/51/38/504865138.db2.gz CKNDURVYDQYQBA-GOSISDBHSA-N 2 0 357.542 3.087 20 0 FGADRP C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC000559517396 504879825 /nfs/dbraw/zinc/87/98/25/504879825.db2.gz GXIDTMUYBSAQTD-QGZVFWFLSA-N 2 0 362.477 3.496 20 0 FGADRP CC[C@H](C(=O)NC[C@@H](c1cccs1)[NH+](C)C)[N@H+](C)Cc1ccccc1 ZINC000549737518 504884828 /nfs/dbraw/zinc/88/48/28/504884828.db2.gz LCEIKDPSBWBFTQ-MSOLQXFVSA-N 2 0 359.539 3.378 20 0 FGADRP Cn1cccc1C[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000549879865 504923868 /nfs/dbraw/zinc/92/38/68/504923868.db2.gz NPEYVHGNVDCFGI-HXUWFJFHSA-N 2 0 353.510 3.044 20 0 FGADRP CC(C)[N@H+](C)CC1CC[NH+](C[C@@H]2CCN(C(=O)c3ccccc3)C2)CC1 ZINC000565579510 504928447 /nfs/dbraw/zinc/92/84/47/504928447.db2.gz FNUBQHWYZIDMQR-FQEVSTJZSA-N 2 0 357.542 3.201 20 0 FGADRP Cc1ncc2n1C[C@@H](C(=O)N1CCC(CC[N@H+]3CCCC[C@H]3C)CC1)CC2 ZINC000553513799 504936931 /nfs/dbraw/zinc/93/69/31/504936931.db2.gz OIJGXCMVNRZBRE-XLIONFOSSA-N 2 0 372.557 3.257 20 0 FGADRP Cc1cc(C(C)(C)C)ccc1OC[C@@H](O)C[NH2+][C@@H](C)C1=CC[N@H+](C)CC1 ZINC000565654949 504950660 /nfs/dbraw/zinc/95/06/60/504950660.db2.gz ZMPSTXLCMAVCCD-PXNSSMCTSA-N 2 0 360.542 3.272 20 0 FGADRP O=C(c1cccc(C[NH+]2CCCC2)c1)N1CCC[N@H+](CC2CCC2)CC1 ZINC000550123578 504972042 /nfs/dbraw/zinc/97/20/42/504972042.db2.gz PCTSNIWTFDXQEC-UHFFFAOYSA-N 2 0 355.526 3.230 20 0 FGADRP c1ccc(C[N@H+]2CC[C@H]([NH2+]CCOC[C@@H]3CCCO3)[C@@H]3CCC[C@H]32)cc1 ZINC000565757697 504979164 /nfs/dbraw/zinc/97/91/64/504979164.db2.gz CZHMYARAKDOKAP-MYGLTJDJSA-N 2 0 358.526 3.215 20 0 FGADRP CCc1nncn1CC[NH2+][C@@H]1CCCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000556884084 505005861 /nfs/dbraw/zinc/00/58/61/505005861.db2.gz PIZLLRBUUAFKHK-PCCBWWKXSA-N 2 0 367.541 3.121 20 0 FGADRP CSc1ccc(OC[C@H](O)C[NH2+]C2CC[NH+](C(C)(C)C)CC2)cc1 ZINC000562985330 505010862 /nfs/dbraw/zinc/01/08/62/505010862.db2.gz QMYHKNQYZCLYEL-MRXNPFEDSA-N 2 0 352.544 3.001 20 0 FGADRP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]CCC(=O)Nc2cccc(C(F)(F)F)c2)C1 ZINC000562988897 505011701 /nfs/dbraw/zinc/01/17/01/505011701.db2.gz CQSSNBIBSJZRBS-GDBMZVCRSA-N 2 0 357.420 3.496 20 0 FGADRP CC(C)C[N@@H+]1CC[C@@H](C[NH2+]C[C@H](O)COc2ccc3ccccc3c2)C1 ZINC000562989910 505012064 /nfs/dbraw/zinc/01/20/64/505012064.db2.gz BMVXWGPTWQJCGV-RXVVDRJESA-N 2 0 356.510 3.147 20 0 FGADRP C[C@@H](CC(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1ccc(C(F)(F)F)cc1 ZINC000560340232 505050760 /nfs/dbraw/zinc/05/07/60/505050760.db2.gz FKFBWKQYOIYVPH-HNNXBMFYSA-N 2 0 373.463 3.151 20 0 FGADRP C[NH2+]Cc1cccc(NC(=O)NC[C@@H](c2ccc(Cl)cc2)[NH+](C)C)c1 ZINC000557044508 505052688 /nfs/dbraw/zinc/05/26/88/505052688.db2.gz XIQPWIAPDSNNJD-SFHVURJKSA-N 2 0 360.889 3.484 20 0 FGADRP CCOc1cccc(C[NH+]2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)c1OC(F)F ZINC000563136092 505058185 /nfs/dbraw/zinc/05/81/85/505058185.db2.gz ZPCHPSIVZOYFPQ-WBVHZDCISA-N 2 0 370.440 3.015 20 0 FGADRP O=C1CCCN1[C@H]1CCC[N@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000563203170 505074473 /nfs/dbraw/zinc/07/44/73/505074473.db2.gz FIOSJSZLPYPGGQ-NRFANRHFSA-N 2 0 355.526 3.259 20 0 FGADRP Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@@H]2[NH2+]CC[C@@H]2CCC[NH2+]C2)cc1 ZINC000566088200 505076663 /nfs/dbraw/zinc/07/66/63/505076663.db2.gz KACAZNXKLNFTOF-YSIASYRMSA-N 2 0 364.555 3.059 20 0 FGADRP c1cnc(N2CC[NH+](CCCC[NH2+][C@@H]3CCCCC34CCCC4)CC2)nc1 ZINC000550644016 505078144 /nfs/dbraw/zinc/07/81/44/505078144.db2.gz JQLRXFSGXJMUSM-HXUWFJFHSA-N 2 0 371.573 3.471 20 0 FGADRP CC(C)[NH2+]CCCNC(=O)N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000557214080 505094246 /nfs/dbraw/zinc/09/42/46/505094246.db2.gz SFWHIIQZJTUHSN-SFHVURJKSA-N 2 0 352.567 3.061 20 0 FGADRP CC1CC[NH+](Cc2cccc(CNC(=O)C[C@H]3CCCC[C@@H]3[NH3+])c2)CC1 ZINC000566157405 505100173 /nfs/dbraw/zinc/10/01/73/505100173.db2.gz FDEQREYRENDLNQ-RTWAWAEBSA-N 2 0 357.542 3.442 20 0 FGADRP C[N@@H+]1CCC[C@H](CNC(=O)C[C@H]([NH3+])Cc2ccccc2)[C@@H]1c1cccs1 ZINC000566185389 505106878 /nfs/dbraw/zinc/10/68/78/505106878.db2.gz BOLZCCGXIVGVRC-DBXWQHBBSA-N 2 0 371.550 3.207 20 0 FGADRP CCC[C@@H](C)C(=O)NCC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000550837492 505112436 /nfs/dbraw/zinc/11/24/36/505112436.db2.gz YOCHGRWDPQHJBA-WLRLJWMZSA-N 2 0 357.542 3.324 20 0 FGADRP O=C(Nc1ccc2c(c1)C[NH2+]C2)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000566211164 505112733 /nfs/dbraw/zinc/11/27/33/505112733.db2.gz GKWPFGLPLWRMTI-KRWDZBQOSA-N 2 0 353.441 3.280 20 0 FGADRP C[C@@H](CCc1ccc(F)cc1F)[NH2+]CC1CC[NH+](CCN(C)C)CC1 ZINC000560528974 505116030 /nfs/dbraw/zinc/11/60/30/505116030.db2.gz QMMONRLOLQWPAC-INIZCTEOSA-N 2 0 353.501 3.149 20 0 FGADRP C[NH+](C)[C@H](CNC(=O)c1ccccc1CC1CC[NH2+]CC1)c1ccccc1 ZINC000566286971 505134800 /nfs/dbraw/zinc/13/48/00/505134800.db2.gz ORXFBKZTKIVNRP-JOCHJYFZSA-N 2 0 365.521 3.261 20 0 FGADRP c1ccc(N2CC[NH+](CCCC[NH2+][C@H]3COc4ccccc4C3)CC2)cc1 ZINC000551006640 505141189 /nfs/dbraw/zinc/14/11/89/505141189.db2.gz VAMQAMFSPDEKEJ-OAQYLSRUSA-N 2 0 365.521 3.182 20 0 FGADRP CC(C)[N@@H+](C)C[C@H](C)NC(=O)NC[C@]1(C)CCC[NH+]1Cc1ccccc1 ZINC000566332918 505145897 /nfs/dbraw/zinc/14/58/97/505145897.db2.gz WRDWWHMSKVYYKA-RXVVDRJESA-N 2 0 360.546 3.069 20 0 FGADRP [NH3+]C1(CNC(=O)NC2CC[NH+](C3CCCCC3)CC2)CCCCCC1 ZINC000563588805 505185027 /nfs/dbraw/zinc/18/50/27/505185027.db2.gz ZQJLLXYOXYPMQQ-UHFFFAOYSA-N 2 0 350.551 3.134 20 0 FGADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000557643110 505191662 /nfs/dbraw/zinc/19/16/62/505191662.db2.gz DVEADCINZWGDHL-AVRDEDQJSA-N 2 0 357.542 3.278 20 0 FGADRP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+][C@@H]3CCOC4(CCOCC4)C3)CC2)C1 ZINC000560921082 505211313 /nfs/dbraw/zinc/21/13/13/505211313.db2.gz VVAXCPPZKBUQDX-MISYRCLQSA-N 2 0 350.547 3.347 20 0 FGADRP C[C@@H]1C[NH+](CC2CC[NH+](Cc3ccc(C(F)(F)F)cn3)CC2)C[C@@H](C)O1 ZINC000551387144 505215249 /nfs/dbraw/zinc/21/52/49/505215249.db2.gz STEFCTGQBXSERJ-HUUCEWRRSA-N 2 0 371.447 3.422 20 0 FGADRP CC[NH+](CC)Cc1ccccc1CNC(=O)N1C[C@H]([NH+]2CCCC2)C[C@H]1C ZINC000557739405 505218415 /nfs/dbraw/zinc/21/84/15/505218415.db2.gz YUOIVLLXBIGPHM-WIYYLYMNSA-N 2 0 372.557 3.297 20 0 FGADRP CC[C@@H]([NH3+])C(=O)N(CC[NH+]1CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC000566620924 505224207 /nfs/dbraw/zinc/22/42/07/505224207.db2.gz IOFKBOPQWXMFLP-MRXNPFEDSA-N 2 0 358.313 3.155 20 0 FGADRP C[NH+](C)C[C@@H](NC(=O)Nc1cccc2c1CC[NH2+]C2)c1ccc(Cl)cc1 ZINC000561046631 505237542 /nfs/dbraw/zinc/23/75/42/505237542.db2.gz VNOSJABERMUNIA-LJQANCHMSA-N 2 0 372.900 3.410 20 0 FGADRP C[NH+](C)CCCN(CCC[NH+](C)C)Cc1ccccc1Br ZINC000561059859 505240991 /nfs/dbraw/zinc/24/09/91/505240991.db2.gz FNGYUTOBIWGRRC-UHFFFAOYSA-N 2 0 356.352 3.155 20 0 FGADRP CCN1CC[NH+](CCCC[NH2+][C@@H]2C[C@@H](Oc3ccccc3)C2(C)C)CC1 ZINC000551537087 505246507 /nfs/dbraw/zinc/24/65/07/505246507.db2.gz LSCRRJNZWUJQJL-NHCUHLMSSA-N 2 0 359.558 3.240 20 0 FGADRP CCN1CC[NH+](CCCC[NH2+][C@@H]2C[C@H](Oc3ccccc3)C2(C)C)CC1 ZINC000551537088 505246518 /nfs/dbraw/zinc/24/65/18/505246518.db2.gz LSCRRJNZWUJQJL-RTWAWAEBSA-N 2 0 359.558 3.240 20 0 FGADRP COc1cc(OC)cc(OCCC[N@H+](C)Cc2ccc3c(c2)C[NH2+]CC3)c1 ZINC000563816694 505246845 /nfs/dbraw/zinc/24/68/45/505246845.db2.gz QYBSHOSFBANWCE-UHFFFAOYSA-N 2 0 370.493 3.250 20 0 FGADRP NC(=O)c1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)cc1 ZINC000563936792 505280653 /nfs/dbraw/zinc/28/06/53/505280653.db2.gz LHJCRDSUQARYOA-VSKRKVRLSA-N 2 0 363.505 3.318 20 0 FGADRP C[NH+](C)CCCCC(=O)N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000563951215 505286047 /nfs/dbraw/zinc/28/60/47/505286047.db2.gz RNJQUJOIZNTJHC-QGZVFWFLSA-N 2 0 371.447 3.128 20 0 FGADRP COc1ccc([C@@H](C[NH3+])C[N@@H+]2CCC[C@@H](c3ncc4n3CCCC4)C2)cc1 ZINC000561279257 505301856 /nfs/dbraw/zinc/30/18/56/505301856.db2.gz NANSNWHYMWPCKG-MOPGFXCFSA-N 2 0 368.525 3.150 20 0 FGADRP Cc1cc(C)c(NC(=O)[C@H](C)[NH+]2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)c(C)c1 ZINC000561280514 505302732 /nfs/dbraw/zinc/30/27/32/505302732.db2.gz MAEWIBSZXBKWRR-FBBABVLZSA-N 2 0 373.541 3.157 20 0 FGADRP CC(C)[C@H](CNC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1)[N@@H+]1CCc2ccccc2C1 ZINC000558146758 505319665 /nfs/dbraw/zinc/31/96/65/505319665.db2.gz NMAHZZYLXGDHMY-FKVLARQCSA-N 2 0 369.553 3.106 20 0 FGADRP C[C@@H]1C[C@@H](NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c2nccn21 ZINC000567076916 505356419 /nfs/dbraw/zinc/35/64/19/505356419.db2.gz LDMYUFRDNPSESN-ZAWLATJESA-N 2 0 367.497 3.099 20 0 FGADRP COC(=O)[C@H](C)Oc1ccc(C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)cc1 ZINC000551978322 505359952 /nfs/dbraw/zinc/35/99/52/505359952.db2.gz MSKQDBQOQAYVER-KRWDZBQOSA-N 2 0 362.514 3.179 20 0 FGADRP C[C@H](NC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)[C@H](c1ccccc1)[NH+](C)C ZINC000558349316 505365663 /nfs/dbraw/zinc/36/56/63/505365663.db2.gz UQNFXPDPAGMRPB-MAUKXSAKSA-N 2 0 360.546 3.286 20 0 FGADRP C[N@H+](Cc1ccccc1CNC(=O)N1CC[C@](C)(C[NH3+])C1)C1CCCCC1 ZINC000567147009 505376565 /nfs/dbraw/zinc/37/65/65/505376565.db2.gz GXZDJVBFGPCVPY-JOCHJYFZSA-N 2 0 372.557 3.331 20 0 FGADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](c1cccc(OC(F)(F)F)c1)C1CC1 ZINC000552044644 505380316 /nfs/dbraw/zinc/38/03/16/505380316.db2.gz JCYWULVJTRGUQK-KBXCAEBGSA-N 2 0 371.447 3.262 20 0 FGADRP C[C@H]1CCC[C@](CNC(=O)N2CCC[N@@H+](C3CCCC3)CC2)([NH+](C)C)C1 ZINC000558447279 505392487 /nfs/dbraw/zinc/39/24/87/505392487.db2.gz JLMVCWWMMOUGPK-RXVVDRJESA-N 2 0 364.578 3.157 20 0 FGADRP C[C@H]1C[C@H]1[N@@H+]1CCN(C(=O)c2oc3ccccc3c2C[NH+](C)C)C[C@@H](C)C1 ZINC000561760218 505429194 /nfs/dbraw/zinc/42/91/94/505429194.db2.gz APUODCFWEVSKLP-TXPKVOOTSA-N 2 0 369.509 3.297 20 0 FGADRP C[N@@H+]1CC[C@H]([NH2+]CC2CCN(C(=O)c3ccccc3)CC2)[C@H]2CCC[C@H]21 ZINC000552246477 505439944 /nfs/dbraw/zinc/43/99/44/505439944.db2.gz VUYZBPFPAFUTOU-QHAWAJNXSA-N 2 0 355.526 3.001 20 0 FGADRP CCOC[C@H](O)C[NH2+]Cc1ccccc1-c1ccc(C[NH+]2CCCC2)cc1 ZINC000567377841 505446137 /nfs/dbraw/zinc/44/61/37/505446137.db2.gz FALXYEVHYFXKJZ-JOCHJYFZSA-N 2 0 368.521 3.436 20 0 FGADRP Cc1nccn1-c1ccc([C@H](C)NC(=O)N[C@H]2C[C@@H](C)n3ccnc32)cc1 ZINC000564540095 505446847 /nfs/dbraw/zinc/44/68/47/505446847.db2.gz MHQYBUMQKQEASF-GLJUWKHASA-N 2 0 364.453 3.443 20 0 FGADRP C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)[C@@H]3C[C@H]4CCCC[C@@H]4[NH2+]3)cc2)C1 ZINC000561947909 505475658 /nfs/dbraw/zinc/47/56/58/505475658.db2.gz JEDMPOKGIRICAA-GFRNBQLOSA-N 2 0 369.553 3.455 20 0 FGADRP C[NH+](CC(O)C[N@@H+](C)C1CCC(F)(F)CC1)C1CCC(F)(F)CC1 ZINC000561960577 505479035 /nfs/dbraw/zinc/47/90/35/505479035.db2.gz CADRGIDYAGCFAR-UHFFFAOYSA-N 2 0 354.432 3.367 20 0 FGADRP CCN(CCC[NH+](C)C)CC1=Cc2cc(Br)ccc2OC1 ZINC000561980827 505484507 /nfs/dbraw/zinc/48/45/07/505484507.db2.gz ZBGQCSMKLMMXMA-UHFFFAOYSA-N 2 0 353.304 3.499 20 0 FGADRP C[C@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000564827481 505531353 /nfs/dbraw/zinc/53/13/53/505531353.db2.gz JACQYBDCEZPOJT-VMUDFCTBSA-N 2 0 369.431 3.400 20 0 FGADRP CCCN(CC[NH+]1CCCCC1)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000562180068 505533353 /nfs/dbraw/zinc/53/33/53/505533353.db2.gz KCFZQNISVZIZON-UHFFFAOYSA-N 2 0 352.567 3.203 20 0 FGADRP C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)NCC[C@H]2CCC[NH2+]C2)c1 ZINC000564837080 505534174 /nfs/dbraw/zinc/53/41/74/505534174.db2.gz WXJBHYIJDDPSBW-LJQANCHMSA-N 2 0 365.521 3.438 20 0 FGADRP C[C@H]([NH2+]C[C@@H](O)COc1cccc(C(F)(F)F)c1)C(C)(C)C[NH+](C)C ZINC000564853663 505539704 /nfs/dbraw/zinc/53/97/04/505539704.db2.gz HKHRQJBYCRRNKT-DZGCQCFKSA-N 2 0 362.436 3.011 20 0 FGADRP C[NH+](C)[C@@H]1CCC[C@H](Nc2cncc(N[C@H]3CCC[C@H]([NH+](C)C)C3)n2)C1 ZINC000555925185 505539883 /nfs/dbraw/zinc/53/98/83/505539883.db2.gz IYNBEHNBSSSRCO-XLAORIBOSA-N 2 0 360.550 3.046 20 0 FGADRP C[NH+]1CCN(C[C@H]([NH2+][C@H]2Cc3[nH]c4ccccc4c3C2)c2ccccc2)CC1 ZINC000555948605 505546262 /nfs/dbraw/zinc/54/62/62/505546262.db2.gz RBSWWSVHIGYVAT-DVECYGJZSA-N 2 0 374.532 3.213 20 0 FGADRP COc1cncc(/C=C/CC[NH+]2CCC(C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)c1 ZINC000564901057 505553989 /nfs/dbraw/zinc/55/39/89/505553989.db2.gz ZBZZHSVQBFCXFO-RMSIBTEPSA-N 2 0 373.541 3.315 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)[C@H]([NH3+])c1ccccc1C)Cc1ccccc1 ZINC000567776336 505562125 /nfs/dbraw/zinc/56/21/25/505562125.db2.gz XERYLVBEDNHYMU-TZIWHRDSSA-N 2 0 353.510 3.064 20 0 FGADRP O=C(Nc1cccc2c1CC[NH2+]C2)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000567829421 505566532 /nfs/dbraw/zinc/56/65/32/505566532.db2.gz KIJRQYBOZWFLMU-SFHVURJKSA-N 2 0 367.468 3.322 20 0 FGADRP CC(C)[C@@H](C(=O)N1CC[C@@H]([N@H+](C)Cc2ccccc2)C1)[NH+]1CCCCC1 ZINC000608167795 506450570 /nfs/dbraw/zinc/45/05/70/506450570.db2.gz SZLSCSCIUCCVLW-RTWAWAEBSA-N 2 0 357.542 3.230 20 0 FGADRP O=C(c1ccc2c(c1)CC[NH2+]CC2)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000582843874 506451359 /nfs/dbraw/zinc/45/13/59/506451359.db2.gz DOBZYWUQDCNZSW-UHFFFAOYSA-N 2 0 369.553 3.103 20 0 FGADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1cc2cc(Cl)sc2[nH]1 ZINC000582937237 506497506 /nfs/dbraw/zinc/49/75/06/506497506.db2.gz LDJNJMQKHFYKGR-UHFFFAOYSA-N 2 0 370.950 3.228 20 0 FGADRP CC[NH+](CC)Cc1ccc(C(=O)NC[C@H](C)[N@H+](C)Cc2ccccc2)o1 ZINC000599636753 506543361 /nfs/dbraw/zinc/54/33/61/506543361.db2.gz MBNUYQMMLPEVGA-KRWDZBQOSA-N 2 0 357.498 3.372 20 0 FGADRP C[C@@H](C(=O)N(CC[NH+](C)C)Cc1ccccc1F)[C@H]([NH3+])c1ccccc1 ZINC000583082816 506581961 /nfs/dbraw/zinc/58/19/61/506581961.db2.gz CLBWBQIJFZTLMZ-UZLBHIALSA-N 2 0 357.473 3.052 20 0 FGADRP C[N@@H+]1CCN(CCC[NH2+]Cc2ccc3[nH]cnc3c2)[C@@H](c2ccccc2)C1 ZINC000589639816 506614684 /nfs/dbraw/zinc/61/46/84/506614684.db2.gz WMFNLYGZBBMUPI-JOCHJYFZSA-N 2 0 363.509 3.031 20 0 FGADRP C[NH+](C)CC[C@H](NC(=O)N1CC[C@H]([N@H+](C)Cc2ccccc2)C1)C(C)(C)C ZINC000608688411 506666262 /nfs/dbraw/zinc/66/62/62/506666262.db2.gz IZSXOWCBIOPRFL-PMACEKPBSA-N 2 0 374.573 3.269 20 0 FGADRP O=C(N[C@H](C[NH+]1CCCCC1)c1ccccc1)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000604176082 506737963 /nfs/dbraw/zinc/73/79/63/506737963.db2.gz VMVXWQKIZSPRNN-HBMCJLEFSA-N 2 0 370.541 3.140 20 0 FGADRP CC(C)[N@@H+]1CC[C@@H](CNC(=O)N[C@H](C[NH+]2CCCCC2)c2ccccc2)C1 ZINC000604184569 506740919 /nfs/dbraw/zinc/74/09/19/506740919.db2.gz XSBVKBVDOZYUBN-PZJWPPBQSA-N 2 0 372.557 3.243 20 0 FGADRP CC[C@H](C)[N@H+](C)CCNC(=O)[C@H](C)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000600092933 506773015 /nfs/dbraw/zinc/77/30/15/506773015.db2.gz SGXDGJYPJCYSOD-OALUTQOASA-N 2 0 359.558 3.176 20 0 FGADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CC[C@@H](C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000600197592 506837582 /nfs/dbraw/zinc/83/75/82/506837582.db2.gz SABUGFIMPWVXFZ-HNAYVOBHSA-N 2 0 370.497 3.375 20 0 FGADRP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)N[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000604656138 506903311 /nfs/dbraw/zinc/90/33/11/506903311.db2.gz CYIFTPMVNDXWJB-CTNGQTDRSA-N 2 0 372.557 3.197 20 0 FGADRP C[NH+](C)CC[C@@H](NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1)C(C)(C)C ZINC000604727784 506920345 /nfs/dbraw/zinc/92/03/45/506920345.db2.gz KMNNISKDQATGCJ-VQTJNVASSA-N 2 0 359.558 3.381 20 0 FGADRP C[NH+](C)CC[C@H](NC(=O)NC[C@H](C1CCCCC1)[NH+](C)C)C(C)(C)C ZINC000604784365 506941038 /nfs/dbraw/zinc/94/10/38/506941038.db2.gz ZYGKQMNHZXLBKF-MSOLQXFVSA-N 2 0 354.583 3.163 20 0 FGADRP CC[NH+](CC)CCOc1ccc(C(=O)NC[C@H]2CCCC[N@@H+]2CC)cc1 ZINC000600449151 506959064 /nfs/dbraw/zinc/95/90/64/506959064.db2.gz MLJJVXSCYWZUEV-LJQANCHMSA-N 2 0 361.530 3.011 20 0 FGADRP CC(C)c1ccc([C@H]([NH3+])CNC(=O)N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)cc1 ZINC000583921539 507052629 /nfs/dbraw/zinc/05/26/29/507052629.db2.gz JGXHGTDWHFBBKQ-DYESRHJHSA-N 2 0 372.557 3.326 20 0 FGADRP CCOC(=O)C1([C@@H](C)[NH2+]Cc2ccccc2CC(F)(F)F)CC[NH2+]CC1 ZINC000600713494 507078196 /nfs/dbraw/zinc/07/81/96/507078196.db2.gz JJHIJZVTSSDQIY-CQSZACIVSA-N 2 0 372.431 3.202 20 0 FGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H](C(C)C)[NH+]1CCc2ccccc2C1 ZINC000591128385 507125655 /nfs/dbraw/zinc/12/56/55/507125655.db2.gz ZTQRDCKARWVNSM-NHCUHLMSSA-N 2 0 357.542 3.060 20 0 FGADRP Clc1cnc(NCC[NH2+]C2CCN(c3cc[nH+]cc3)CC2)c(Cl)c1 ZINC000584098866 507152163 /nfs/dbraw/zinc/15/21/63/507152163.db2.gz DNQAUXDBACSPJU-UHFFFAOYSA-N 2 0 366.296 3.454 20 0 FGADRP CC(C)[C@@H](C(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)[NH+]1CCCCC1 ZINC000591203112 507152719 /nfs/dbraw/zinc/15/27/19/507152719.db2.gz DKIFOOOIYJJRBI-VXKWHMMOSA-N 2 0 371.569 3.178 20 0 FGADRP O=C(NCCCCC[NH+]1CCCCC1)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000600901447 507171144 /nfs/dbraw/zinc/17/11/44/507171144.db2.gz GHZKCBXOMJGDPW-NRFANRHFSA-N 2 0 372.557 3.216 20 0 FGADRP C[C@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)NCC1CC[NH+](C)CC1 ZINC000591452007 507256135 /nfs/dbraw/zinc/25/61/35/507256135.db2.gz NSFZZQVAKCYTSV-SFHVURJKSA-N 2 0 373.541 3.011 20 0 FGADRP C[C@@H]1C[C@@H](NC(=O)NC[C@H]2CCCC[NH+](Cc3ccccc3)C2)CC[N@@H+]1C ZINC000584323907 507280967 /nfs/dbraw/zinc/28/09/67/507280967.db2.gz NGKFZZBMEUXGDL-NRSPTQNISA-N 2 0 372.557 3.071 20 0 FGADRP CC(C)[C@H](CNC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)[NH+]1CCCC1 ZINC000591547317 507286846 /nfs/dbraw/zinc/28/68/46/507286846.db2.gz RVIQQGDZUROXJH-NRFANRHFSA-N 2 0 372.557 3.202 20 0 FGADRP CC[NH+](CC)Cc1ccccc1CNC(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000591548844 507288399 /nfs/dbraw/zinc/28/83/99/507288399.db2.gz SKVKIBXPHHZYEJ-LJQANCHMSA-N 2 0 374.573 3.448 20 0 FGADRP CCC(CC)[C@@H](CNC(=O)N1CCC[C@H]1C[NH+]1CCCC1)[NH+]1CCCC1 ZINC000591553462 507289551 /nfs/dbraw/zinc/28/95/51/507289551.db2.gz GJFWGAYQFRCQCH-VQTJNVASSA-N 2 0 364.578 3.157 20 0 FGADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)NCCCC[NH+]2CCCC[C@@H]2C)C1 ZINC000591559430 507291555 /nfs/dbraw/zinc/29/15/55/507291555.db2.gz NGGUYVFQIUUPFK-RBUKOAKNSA-N 2 0 352.567 3.061 20 0 FGADRP CC(C)[C@H](C(=O)Nc1cccc(NC(=O)C[NH+]2CCCCCC2)c1)[C@H](C)[NH3+] ZINC000584348110 507294746 /nfs/dbraw/zinc/29/47/46/507294746.db2.gz YSBCTYQSFMJNFW-JXFKEZNVSA-N 2 0 374.529 3.059 20 0 FGADRP C[C@@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1ccc(F)c(I)c1 ZINC000591578394 507299763 /nfs/dbraw/zinc/29/97/63/507299763.db2.gz YUNJNRBSRQVWSJ-ZYHUDNBSSA-N 2 0 362.230 3.223 20 0 FGADRP CCOC(=O)C1(C)CC([NH2+]C2CC(N3CCC(C(F)(F)F)CC3)C2)C1 ZINC000601277939 507319689 /nfs/dbraw/zinc/31/96/89/507319689.db2.gz LPIMTOIBBNETKU-UHFFFAOYSA-N 2 0 362.436 3.113 20 0 FGADRP CN(C(=O)C1(c2ccccc2)CCCC1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000601472443 507369745 /nfs/dbraw/zinc/36/97/45/507369745.db2.gz KJAFIWGOHKIBSH-OAQYLSRUSA-N 2 0 369.553 3.125 20 0 FGADRP [NH3+][C@@H]1C[C@@H]([NH2+][C@H]2CCc3nnc(-c4ccc(F)cc4)n3C2)c2ccccc21 ZINC000584523948 507392719 /nfs/dbraw/zinc/39/27/19/507392719.db2.gz PGJPUVSTEVJYRF-KFKAGJAMSA-N 2 0 363.440 3.133 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+]C[C@H]1CNc2ccnn2C1 ZINC000595145008 507408270 /nfs/dbraw/zinc/40/82/70/507408270.db2.gz YSASJRHVWNHLMF-MSOLQXFVSA-N 2 0 353.514 3.089 20 0 FGADRP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@H](C)[C@@H]2c2ccc(C)cc2)CC1 ZINC000606540853 507439122 /nfs/dbraw/zinc/43/91/22/507439122.db2.gz NYWBUAAXUDWXQZ-PGRDOPGGSA-N 2 0 357.542 3.369 20 0 FGADRP O=C(NC1CC([NH+]2CCCCC2)C1)[C@@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000614281566 507439669 /nfs/dbraw/zinc/43/96/69/507439669.db2.gz LSBLYMIZNIDWKN-ITAUSPCMSA-N 2 0 369.553 3.074 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)N[C@H](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000606623191 507455637 /nfs/dbraw/zinc/45/56/37/507455637.db2.gz BSIRMGFTECPCIH-XLIONFOSSA-N 2 0 360.546 3.099 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)N1CC[N@H+](C)C[C@H]1C(C)C)c1ccsc1 ZINC000606637835 507462269 /nfs/dbraw/zinc/46/22/69/507462269.db2.gz HJFJUTLSPIJWBY-ROUUACIJSA-N 2 0 366.575 3.113 20 0 FGADRP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000606640109 507463512 /nfs/dbraw/zinc/46/35/12/507463512.db2.gz GVYWGDUFYTVRHB-VQTJNVASSA-N 2 0 364.578 3.301 20 0 FGADRP CC[NH+]1CCC(CNC(=O)[C@H](C)[NH+]2CCC(Cc3ccccc3)CC2)CC1 ZINC000584738427 507476477 /nfs/dbraw/zinc/47/64/77/507476477.db2.gz IKHFIOFZLFBGBH-IBGZPJMESA-N 2 0 371.569 3.178 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1ccc(F)c2cccnc12 ZINC000584787860 507504694 /nfs/dbraw/zinc/50/46/94/507504694.db2.gz SEBMUUJIXHPFOR-SFHVURJKSA-N 2 0 358.505 3.222 20 0 FGADRP C[C@@H](OC[C@@H](O)C[NH2+]C1CC[NH+](C2CCC2)CC1)c1ccc(Cl)cc1 ZINC000584834550 507531747 /nfs/dbraw/zinc/53/17/47/507531747.db2.gz BHTZWARHGWTWLO-QRWLVFNGSA-N 2 0 366.933 3.385 20 0 FGADRP Cc1ccc([C@@H](CNC(=O)Cc2cn3cccc(C)c3n2)[NH+]2CCCC2)o1 ZINC000586760725 507662297 /nfs/dbraw/zinc/66/22/97/507662297.db2.gz RLLSHACJHLNWTO-GOSISDBHSA-N 2 0 366.465 3.040 20 0 FGADRP CC[N@H+](CCNC(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1)C1CC1 ZINC000587183791 507706438 /nfs/dbraw/zinc/70/64/38/507706438.db2.gz QJSGUWYMZDAXSU-UHFFFAOYSA-N 2 0 358.530 3.321 20 0 FGADRP CCOC(=O)CN(Cc1ccc(F)cc1)Cc1cccc2c1CC[NH2+]C2 ZINC000595892099 507730743 /nfs/dbraw/zinc/73/07/43/507730743.db2.gz KKLRPIDYSIZLTQ-UHFFFAOYSA-N 2 0 356.441 3.037 20 0 FGADRP c1ccc(-c2cncnc2NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000537047063 517018137 /nfs/dbraw/zinc/01/81/37/517018137.db2.gz HRQJFBCKVKQHMR-UHFFFAOYSA-N 2 0 374.492 3.163 20 0 FGADRP CC[C@@H]1CN(C(=O)NCc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)CC[C@H]1[NH3+] ZINC000669121471 568069603 /nfs/dbraw/zinc/06/96/03/568069603.db2.gz BHDXGRVJJJGCQH-DUXKGJEZSA-N 2 0 372.557 3.187 20 0 FGADRP Cc1cccc(NC(=O)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)c1 ZINC000623068772 568142444 /nfs/dbraw/zinc/14/24/44/568142444.db2.gz KJYRHUSFZBPTDN-UHFFFAOYSA-N 2 0 352.482 3.110 20 0 FGADRP CC[C@H](C)[NH2+][C@H](CNC(=O)N1CCC(CC)([NH+](C)C)CC1)c1ccco1 ZINC000637139742 568448285 /nfs/dbraw/zinc/44/82/85/568448285.db2.gz OCGCFYJKTHSASV-DLBZAZTESA-N 2 0 364.534 3.225 20 0 FGADRP C[NH+](C)CC[C@@H]([NH2+][C@@H]1CCCc2cc(-c3nn[nH]n3)ccc21)C(C)(C)C ZINC000825859513 608512521 /nfs/dbraw/zinc/51/25/21/608512521.db2.gz GKDUAPISCVEZRD-QZTJIDSGSA-N 2 0 356.518 3.200 20 0 FGADRP CC(C)(C)[NH+]1CCC([NH2+][C@H]2CCCc3cc(-c4nn[nH]n4)ccc32)CC1 ZINC000824094563 608517534 /nfs/dbraw/zinc/51/75/34/608517534.db2.gz YOBUVXXEBKLCFX-SFHVURJKSA-N 2 0 354.502 3.097 20 0 FGADRP CC[N@H+](C)Cc1cccc(C[NH2+][C@H](C)c2ccc(-c3nn[nH]n3)c(F)c2)c1 ZINC000825390479 609141997 /nfs/dbraw/zinc/14/19/97/609141997.db2.gz GQBIINNROFHCJC-CQSZACIVSA-N 2 0 368.460 3.308 20 0 FGADRP C[C@@H]([NH2+][C@@H](C)c1ccc(-c2nn[nH]n2)cc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000824530623 609350207 /nfs/dbraw/zinc/35/02/07/609350207.db2.gz MINBKFWLNUCBDE-DAYGRLMNSA-N 2 0 354.502 3.170 20 0 FGADRP C[C@@H]([NH2+]C[C@H](c1cccc(Cl)c1)N1CCOCC1)C1CC[NH+](C)CC1 ZINC000089549319 700392226 /nfs/dbraw/zinc/39/22/26/700392226.db2.gz FMAYELJPEJBLLW-OXQOHEQNSA-N 2 0 365.949 3.033 20 0 FGADRP COCCC1(C[NH2+]Cc2c(Cl)cccc2N2CC[NH+](C)CC2)CCC1 ZINC000092411804 700435497 /nfs/dbraw/zinc/43/54/97/700435497.db2.gz CDGXEEARRUSRPE-UHFFFAOYSA-N 2 0 365.949 3.388 20 0 FGADRP C[C@H](CNCc1csc(-c2ccc3c(c2)OCO3)n1)C[NH+]1CCCC1 ZINC000103169993 700482330 /nfs/dbraw/zinc/48/23/30/700482330.db2.gz XAGYTVPTKPPLIZ-CQSZACIVSA-N 2 0 359.495 3.360 20 0 FGADRP CCC[NH+]1CCC([NH2+]C2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)CC1 ZINC000129920998 700793606 /nfs/dbraw/zinc/79/36/06/700793606.db2.gz CZJRGRPZEYZEDY-AYHJJNSGSA-N 2 0 351.535 3.381 20 0 FGADRP C[C@@](O)(C[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1)c1cccs1 ZINC000153019868 704982432 /nfs/dbraw/zinc/98/24/32/704982432.db2.gz XOIZUSNGMNDRPO-HXUWFJFHSA-N 2 0 360.523 3.220 20 0 FGADRP CC[NH+]1CCN(CCC[NH2+][C@@H]2CCSc3c(Cl)cccc32)CC1 ZINC000154318780 705030843 /nfs/dbraw/zinc/03/08/43/705030843.db2.gz VFQZSDYHXZCMER-QGZVFWFLSA-N 2 0 353.963 3.494 20 0 FGADRP COc1cc(Cl)c(C)cc1NC(=O)CC[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000158409096 705184915 /nfs/dbraw/zinc/18/49/15/705184915.db2.gz IFXJNPOFEHOWJV-AWEZNQCLSA-N 2 0 367.921 3.306 20 0 FGADRP CC[NH+]1CCC(CC[NH2+][C@H]2CCC[C@H]2CNC(=O)OC(C)(C)C)CC1 ZINC000180642409 705751124 /nfs/dbraw/zinc/75/11/24/705751124.db2.gz GOBGOPMNAXIZPK-ROUUACIJSA-N 2 0 353.551 3.391 20 0 FGADRP C[C@@H](C[NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)CC1)C[NH+]1CCCCC1 ZINC000182723663 705858476 /nfs/dbraw/zinc/85/84/76/705858476.db2.gz DKWGYIAMXCFBKL-ROUUACIJSA-N 2 0 353.551 3.488 20 0 FGADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1ccc(SC(F)(F)F)cc1 ZINC000185869637 712703877 /nfs/dbraw/zinc/70/38/77/712703877.db2.gz KHTPMJVLOJWLCA-AWEZNQCLSA-N 2 0 361.477 3.414 20 0 FGADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@H]2CCCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000248391318 713648613 /nfs/dbraw/zinc/64/86/13/713648613.db2.gz UUICNJRUJVBGEF-MSOLQXFVSA-N 2 0 353.551 3.486 20 0 FGADRP C[C@H]([NH2+]C[C@@]1(C)CCCN(C(=O)OC(C)(C)C)C1)C1CC[NH+](C)CC1 ZINC000305588138 713793307 /nfs/dbraw/zinc/79/33/07/713793307.db2.gz CPBUOWZJVSDYMW-OXJNMPFZSA-N 2 0 353.551 3.344 20 0 FGADRP CCC[N@H+](CC)C[C@@H](C)NC(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000641943328 717939995 /nfs/dbraw/zinc/93/99/95/717939995.db2.gz AUUNGECNJNRABZ-QGZVFWFLSA-N 2 0 352.567 3.203 20 0 FGADRP O[C@@H]1[C@@H]([NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CCCC1(F)F ZINC000414299992 714003835 /nfs/dbraw/zinc/00/38/35/714003835.db2.gz LDAAJZRYPXZFIN-BRIYLRKRSA-N 2 0 350.453 3.035 20 0 FGADRP O[C@@H]1[C@@H]([NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)CCCC1(F)F ZINC000414299994 714003972 /nfs/dbraw/zinc/00/39/72/714003972.db2.gz LDAAJZRYPXZFIN-MTHXSQLBSA-N 2 0 350.453 3.035 20 0 FGADRP CCOc1c(Br)cc(C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)cc1OC ZINC000414911273 714005664 /nfs/dbraw/zinc/00/56/64/714005664.db2.gz DSCGKMGZORCFFE-OLZOCXBDSA-N 2 0 357.292 3.216 20 0 FGADRP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)NC[C@@H](C1CCCCC1)[NH+](C)C ZINC000521698033 714142855 /nfs/dbraw/zinc/14/28/55/714142855.db2.gz NIUKSSYRFALBSF-LMMKCTJWSA-N 2 0 352.567 3.059 20 0 FGADRP C(C[NH+]1CCC[C@@H]1[C@@H]1CCCOC1)C[N@@H+]1CCC[C@H]1[C@@H]1CCCOC1 ZINC000521868708 714153374 /nfs/dbraw/zinc/15/33/74/714153374.db2.gz KYUSMDOLOIZUML-NCYKPQTJSA-N 2 0 350.547 3.159 20 0 FGADRP CC[C@H](C)[N@H+](C)CCNC(=O)Nc1nc(CN2CCC[C@H](C)C2)cs1 ZINC000522132825 714171772 /nfs/dbraw/zinc/17/17/72/714171772.db2.gz SRXWCFKYXMGQQZ-GJZGRUSLSA-N 2 0 367.563 3.227 20 0 FGADRP CC[NH+](CC)CC1CCN(C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)CC1 ZINC000523929175 714259303 /nfs/dbraw/zinc/25/93/03/714259303.db2.gz MCAPCSGOIHBEST-GOSISDBHSA-N 2 0 354.583 3.116 20 0 FGADRP C[C@@H](CNC(=O)N1CC[NH+](CCC(C)(C)C)CC1)[N@@H+]1CCCC[C@@H]1C ZINC000615672312 714543896 /nfs/dbraw/zinc/54/38/96/714543896.db2.gz UBNMRRUGZTYSHR-ROUUACIJSA-N 2 0 352.567 3.013 20 0 FGADRP CCOc1ccccc1C[NH2+]C[C@@H](c1cccs1)N1CCN(C)CC1 ZINC000620437357 714916230 /nfs/dbraw/zinc/91/62/30/714916230.db2.gz KUQSPYVUSCRJHB-SFHVURJKSA-N 2 0 359.539 3.225 20 0 FGADRP COc1cc(CCC[NH2+]C2CC[NH+](C(C)(C)C)CC2)cc(OC)c1O ZINC000621743410 715023288 /nfs/dbraw/zinc/02/32/88/715023288.db2.gz POZSKPDTENIBFR-UHFFFAOYSA-N 2 0 350.503 3.195 20 0 FGADRP C[C@H](Cc1ccc(F)cc1Cl)[NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000643346240 718026055 /nfs/dbraw/zinc/02/60/55/718026055.db2.gz UYGSVVAOSKSDGQ-PBHICJAKSA-N 2 0 353.913 3.168 20 0 FGADRP Brc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CC13CC[NH2+]CC3)CCCO2 ZINC000643535399 718038264 /nfs/dbraw/zinc/03/82/64/718038264.db2.gz LPPOWNYBQRDDIU-GOEBONIOSA-N 2 0 351.288 3.395 20 0 FGADRP C[NH+](C)[C@H](CNC(=O)NC[C@H]1CC[N@@H+]1C1CCCCC1)c1ccsc1 ZINC000623409331 715329536 /nfs/dbraw/zinc/32/95/36/715329536.db2.gz ZDKAMYZSCABXFZ-QZTJIDSGSA-N 2 0 364.559 3.057 20 0 FGADRP COc1cc(C[NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)cc(C(F)(F)F)c1 ZINC000623412437 715330220 /nfs/dbraw/zinc/33/02/20/715330220.db2.gz KXBICXMPJJAKAZ-MRXNPFEDSA-N 2 0 360.420 3.041 20 0 FGADRP C[N@@H+]1CC[C@@H]([NH2+]C[C@@H](CO)Cc2ccc(Br)cc2)CC1(C)C ZINC000623507695 715350655 /nfs/dbraw/zinc/35/06/55/715350655.db2.gz WNQIANSFEADJIK-DOTOQJQBSA-N 2 0 369.347 3.063 20 0 FGADRP CC[NH+]1CCC(CC[NH2+][C@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2C)CC1 ZINC000779071908 724387581 /nfs/dbraw/zinc/38/75/81/724387581.db2.gz MOIAGKNVCCJDPT-WMZOPIPTSA-N 2 0 353.551 3.344 20 0 FGADRP C[C@@H]1[C@@H]([NH2+]C2CC[NH+](CC3CC3)CC2)CCCN1C(=O)OC(C)(C)C ZINC000779077844 724388049 /nfs/dbraw/zinc/38/80/49/724388049.db2.gz XVGGBNAWQIOJHR-QAPCUYQASA-N 2 0 351.535 3.238 20 0 FGADRP Cc1csc([C@H](C)[NH2+]CCCN2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000623860758 715416643 /nfs/dbraw/zinc/41/66/43/715416643.db2.gz DQTCXOLFUGYRFM-SFHVURJKSA-N 2 0 358.555 3.310 20 0 FGADRP O[C@H](C[NH2+][C@@H]1CCCC[C@@H]1Sc1ccc(F)cc1)C[NH+]1CCCC1 ZINC000623872081 715420123 /nfs/dbraw/zinc/42/01/23/715420123.db2.gz VFTCGANELKEFAW-QRQLOZEOSA-N 2 0 352.519 3.275 20 0 FGADRP Cc1ccc(Br)cc1[C@@H](C)[NH2+]C[C@H](C)CN1CC[NH+](C)CC1 ZINC000623886917 715423976 /nfs/dbraw/zinc/42/39/76/715423976.db2.gz OCAUOJJCTZFGGH-GOEBONIOSA-N 2 0 368.363 3.292 20 0 FGADRP Cc1ccc(Br)cc1[C@H](C)[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000623978476 715445461 /nfs/dbraw/zinc/44/54/61/715445461.db2.gz VDFGBZQELUZVMT-HNNXBMFYSA-N 2 0 368.363 3.434 20 0 FGADRP CN(CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21)CC(F)F ZINC000624329109 715512472 /nfs/dbraw/zinc/51/24/72/715512472.db2.gz MGJZRLZMDRNZES-QRVBRYPASA-N 2 0 351.485 3.216 20 0 FGADRP C[C@@H]1C[NH+](CCOCC[N@@H+]2C[C@@H](C)C(F)(F)[C@@H](C)C2)C[C@@H](C)C1(F)F ZINC000625654778 715767359 /nfs/dbraw/zinc/76/73/59/715767359.db2.gz QUKODWIPQUXHOZ-FPCVCCKLSA-N 2 0 368.459 3.449 20 0 FGADRP C[C@@H]1CC[C@@H](NC(=O)Nc2ccc(SCC[NH+]3CCCC3)cc2)C[NH2+]1 ZINC000625898925 715810394 /nfs/dbraw/zinc/81/03/94/715810394.db2.gz GBKGHHKVPVIVCB-NVXWUHKLSA-N 2 0 362.543 3.137 20 0 FGADRP C[C@H](C[C@H](C)[NH3+])NC(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000627108514 715997607 /nfs/dbraw/zinc/99/76/07/715997607.db2.gz VGJUGLJPKUQGPF-RWSFTLGLSA-N 2 0 361.317 3.021 20 0 FGADRP FC(F)(F)c1cccc(CC[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)c1 ZINC000628217940 716126452 /nfs/dbraw/zinc/12/64/52/716126452.db2.gz NZIRIOWGXWVGRT-INIZCTEOSA-N 2 0 356.432 3.338 20 0 FGADRP Fc1cc(Br)cnc1CN1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000631826460 716686570 /nfs/dbraw/zinc/68/65/70/716686570.db2.gz NYOMSHCKWNPACD-QWHCGFSZSA-N 2 0 356.283 3.195 20 0 FGADRP CCC[N@H+](C)[C@@H](CNC(=O)C[C@H]1CC[NH+](C)C1)c1ccc(Cl)cc1 ZINC000635914921 717209719 /nfs/dbraw/zinc/20/97/19/717209719.db2.gz QRXAYPQEOLHRKW-QAPCUYQASA-N 2 0 351.922 3.181 20 0 FGADRP CN1CC[C@H]([NH2+]CCC[NH+](C)C)C[C@@H]1c1ccc(Br)cc1 ZINC000638289458 717430676 /nfs/dbraw/zinc/43/06/76/717430676.db2.gz JHVUMLOKQXMOML-DLBZAZTESA-N 2 0 354.336 3.126 20 0 FGADRP CCN1CC[NH+](CCCC[NH2+][C@H]2C[C@H](OC(C)(C)C)C23CCC3)CC1 ZINC000638360540 717439367 /nfs/dbraw/zinc/43/93/67/717439367.db2.gz UEZLIXQVFSQEDU-OALUTQOASA-N 2 0 351.579 3.120 20 0 FGADRP C[NH+](C)C[C@@H](NC(=O)c1coc(C[NH3+])c1)c1ccc(Cl)c(Cl)c1 ZINC000638664592 717473924 /nfs/dbraw/zinc/47/39/24/717473924.db2.gz RAAQNPHQPRULPE-OAHLLOKOSA-N 2 0 356.253 3.078 20 0 FGADRP FC(F)c1ccc(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)cn1 ZINC000638958683 717502431 /nfs/dbraw/zinc/50/24/31/717502431.db2.gz MSWTZJIXSXEKDT-UHFFFAOYSA-N 2 0 353.457 3.344 20 0 FGADRP C[C@H](Cc1ccccc1C(F)(F)F)[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000638959632 717502494 /nfs/dbraw/zinc/50/24/94/717502494.db2.gz JQYWQTWJOHBKCR-CQSZACIVSA-N 2 0 358.448 3.461 20 0 FGADRP O=C(CC[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)Nc1cccc(C(F)(F)F)c1 ZINC000644531805 718119799 /nfs/dbraw/zinc/11/97/99/718119799.db2.gz OXIOPQJIOYBYEM-CYBMUJFWSA-N 2 0 355.404 3.108 20 0 FGADRP C[C@@H]([NH2+]CCC(=O)Nc1cccc(C(F)(F)F)c1)C1CC[NH+](C)CC1 ZINC000644563204 718124635 /nfs/dbraw/zinc/12/46/35/718124635.db2.gz SWHUQCPLUUZNHQ-CYBMUJFWSA-N 2 0 357.420 3.354 20 0 FGADRP FC(F)(F)c1cnc(OCC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)c(Cl)c1 ZINC000647550428 718367176 /nfs/dbraw/zinc/36/71/76/718367176.db2.gz PZAOCXUKJXDVNS-NQBHXWOUSA-N 2 0 363.811 3.110 20 0 FGADRP Brc1cccc2c1OCC[C@@H]2[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000647796730 718378207 /nfs/dbraw/zinc/37/82/07/718378207.db2.gz LMDKYBIQEXZDKR-IATRGZMQSA-N 2 0 351.288 3.250 20 0 FGADRP C[C@H](C(=O)Nc1cc(F)ccc1F)[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647977032 718391322 /nfs/dbraw/zinc/39/13/22/718391322.db2.gz XEXQRMYSRFTSCK-QLFBSQMISA-N 2 0 351.441 3.003 20 0 FGADRP C[C@@H](C[N@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1cc(F)cc(F)c1 ZINC000648586022 718438241 /nfs/dbraw/zinc/43/82/41/718438241.db2.gz SLWPHRLVAGZVCE-MGPUTAFESA-N 2 0 351.485 3.169 20 0 FGADRP FC(F)(F)c1ccc(CN2CC[NH+](CCC3CC[NH2+]CC3)CC2)cc1 ZINC000649411318 718512398 /nfs/dbraw/zinc/51/23/98/718512398.db2.gz HTDUIYPNBONXEK-UHFFFAOYSA-N 2 0 355.448 3.213 20 0 FGADRP C[N@@H+]1CCCN(C(=O)Nc2ccc(SCC[NH+]3CCCC3)cc2)CC1 ZINC000650416223 718674657 /nfs/dbraw/zinc/67/46/57/718674657.db2.gz YGAAJWPDVNTUDT-UHFFFAOYSA-N 2 0 362.543 3.044 20 0 FGADRP COc1cc(C[N@@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)cc(Cl)c1OC ZINC000650705366 718716367 /nfs/dbraw/zinc/71/63/67/718716367.db2.gz FKGVDJNUOKZWAV-ZOBUZTSGSA-N 2 0 368.905 3.076 20 0 FGADRP Cc1ccc(C[N@@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)cc1Br ZINC000650707717 718717333 /nfs/dbraw/zinc/71/73/33/718717333.db2.gz LTKMHAQGUFNNOF-BQFCYCMXSA-N 2 0 367.331 3.476 20 0 FGADRP C[C@H]([NH2+]CCC1CC[NH2+]CC1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000650763555 718724687 /nfs/dbraw/zinc/72/46/87/718724687.db2.gz DHPKQGVBJLNBRB-INIZCTEOSA-N 2 0 364.555 3.443 20 0 FGADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1c(Cl)oc2ccccc21 ZINC000651327842 718796830 /nfs/dbraw/zinc/79/68/30/718796830.db2.gz KWJXGFAITNWBSX-UHFFFAOYSA-N 2 0 365.905 3.432 20 0 FGADRP C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)C[N@@H+]1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000652355302 718936385 /nfs/dbraw/zinc/93/63/85/718936385.db2.gz UDWFPOXTIBJOQF-VKJFTORMSA-N 2 0 351.922 3.309 20 0 FGADRP CC1(NC(=O)Nc2ccc(SCC[NH+]3CCCC3)cc2)CC[NH2+]CC1 ZINC000652614085 718966551 /nfs/dbraw/zinc/96/65/51/718966551.db2.gz NKIAGFNTSOHXTN-UHFFFAOYSA-N 2 0 362.543 3.138 20 0 FGADRP C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655805102 719342066 /nfs/dbraw/zinc/34/20/66/719342066.db2.gz BWMBBWNSYLYVFF-KYJSFNMBSA-N 2 0 351.922 3.007 20 0 FGADRP Oc1ccc(Br)c(C[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)c1 ZINC000656786142 719470850 /nfs/dbraw/zinc/47/08/50/719470850.db2.gz LEMSOKOJZYSOJY-AWEZNQCLSA-N 2 0 353.304 3.366 20 0 FGADRP Clc1ccc(C[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)c(-n2cncn2)c1 ZINC000656786446 719471168 /nfs/dbraw/zinc/47/11/68/719471168.db2.gz MPJVPJUFUDMLQH-INIZCTEOSA-N 2 0 359.905 3.132 20 0 FGADRP COCc1csc(C[NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)c1 ZINC000657349875 719631319 /nfs/dbraw/zinc/63/13/19/719631319.db2.gz PAKIKMAUMYVFMM-UHFFFAOYSA-N 2 0 360.523 3.141 20 0 FGADRP c1cc(C[NH2+]CC[C@H]2CSc3ccccc3O2)n(-c2cc[nH+]cc2)n1 ZINC000657497988 719660714 /nfs/dbraw/zinc/66/07/14/719660714.db2.gz JAMLESDPRSXJKZ-KRWDZBQOSA-N 2 0 352.463 3.300 20 0 FGADRP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@@H](C)c1ccc(Br)s1 ZINC000657574044 719677048 /nfs/dbraw/zinc/67/70/48/719677048.db2.gz XGAJMPXFKQHFQZ-STQMWFEESA-N 2 0 362.381 3.433 20 0 FGADRP CC(C)(C)OC(=O)N1CC[C@@]2(CC[N@H+](CCC[NH+]3CCCCC3)C2)C1 ZINC000781918672 724612213 /nfs/dbraw/zinc/61/22/13/724612213.db2.gz YRFUBODCSYNBMS-HXUWFJFHSA-N 2 0 351.535 3.195 20 0 FGADRP CC[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+][C@H](C)CN1CC[NH+](C)CC1 ZINC000657878871 719724915 /nfs/dbraw/zinc/72/49/15/719724915.db2.gz ITBQATFBSJUWFP-QAPCUYQASA-N 2 0 357.464 3.252 20 0 FGADRP C[C@@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1ccc(Br)c(Cl)c1 ZINC000657888178 719725327 /nfs/dbraw/zinc/72/53/27/719725327.db2.gz OZYYAIUMHHCEDS-LLVKDONJSA-N 2 0 361.711 3.210 20 0 FGADRP FCC1(CF)CC([NH2+]CCc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000657939684 719734046 /nfs/dbraw/zinc/73/40/46/719734046.db2.gz ZKVWDOZJNGAVLQ-UHFFFAOYSA-N 2 0 352.469 3.381 20 0 FGADRP CC(C)(C)O[C@H]1C[C@H]([NH2+]CC2CC[NH+](C3CCOCC3)CC2)C1(C)C ZINC000658071389 719751574 /nfs/dbraw/zinc/75/15/74/719751574.db2.gz WSOSXNQTPCSZJZ-OALUTQOASA-N 2 0 352.563 3.449 20 0 FGADRP CO[C@@H]1CCC[C@H]([C@H](CO)[NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3C)CC2)C1 ZINC000658113954 719759251 /nfs/dbraw/zinc/75/92/51/719759251.db2.gz IQCRATHKAYUNBX-WJRACZLCSA-N 2 0 352.563 3.185 20 0 FGADRP C[C@H]([NH2+]CC1(O)CCC(F)(F)CC1)c1cccc(OCC[NH+](C)C)c1 ZINC000658322135 719785599 /nfs/dbraw/zinc/78/55/99/719785599.db2.gz DNRMUGIOHPLFHP-HNNXBMFYSA-N 2 0 356.457 3.218 20 0 FGADRP FC1(F)C[C@H]1OCC[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000660149006 719997466 /nfs/dbraw/zinc/99/74/66/719997466.db2.gz GAQWUSFUZDASEF-GOSISDBHSA-N 2 0 350.453 3.399 20 0 FGADRP C[C@@H](O)[C@H]1CCC[N@@H+]1Cc1cc(Cl)cc(C[NH+]2CCC[C@@H]2[C@H](C)O)c1 ZINC000661767956 720316413 /nfs/dbraw/zinc/31/64/13/720316413.db2.gz SFYKZHGWYVILDU-HRYATBACSA-N 2 0 366.933 3.030 20 0 FGADRP Brc1ccccc1C1CC[NH+](C[C@@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662278823 720408659 /nfs/dbraw/zinc/40/86/59/720408659.db2.gz BETDBTLWKWWLNC-HNNXBMFYSA-N 2 0 365.315 3.150 20 0 FGADRP COc1cccc(SCC[NH+]2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)c1 ZINC000662281050 720409020 /nfs/dbraw/zinc/40/90/20/720409020.db2.gz ICGCIRVDWSAYHJ-MOPGFXCFSA-N 2 0 350.528 3.006 20 0 FGADRP COc1cccc(SCC[NH+]2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)c1 ZINC000662281053 720409083 /nfs/dbraw/zinc/40/90/83/720409083.db2.gz ICGCIRVDWSAYHJ-OALUTQOASA-N 2 0 350.528 3.006 20 0 FGADRP C[C@@H](C(=O)Nc1ccc(F)cc1F)[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662296470 720411408 /nfs/dbraw/zinc/41/14/08/720411408.db2.gz KYBZGSMCXYKUOV-DZGCQCFKSA-N 2 0 351.441 3.003 20 0 FGADRP C[C@@H](C(=O)Nc1ccc(F)cc1F)[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662296473 720411481 /nfs/dbraw/zinc/41/14/81/720411481.db2.gz KYBZGSMCXYKUOV-ZFWWWQNUSA-N 2 0 351.441 3.003 20 0 FGADRP CSc1cccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)c1 ZINC000662296750 720411641 /nfs/dbraw/zinc/41/16/41/720411641.db2.gz MZAGOSIEMHYJTM-RDJZCZTQSA-N 2 0 361.555 3.447 20 0 FGADRP C[C@H](C(=O)NCc1ccccc1Cl)[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662298688 720412107 /nfs/dbraw/zinc/41/21/07/720412107.db2.gz WUZRWQBVFGMARQ-QAPCUYQASA-N 2 0 363.933 3.056 20 0 FGADRP CC[NH+](CC)CCN(Cc1ccc(Cl)cc1)C(=O)CC[C@H]1CC[NH2+]C1 ZINC000662656235 720450201 /nfs/dbraw/zinc/45/02/01/720450201.db2.gz OABULOOXPSQKRP-KRWDZBQOSA-N 2 0 365.949 3.400 20 0 FGADRP C[C@@H](CCNC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)[NH+](C)C ZINC000663456384 720517477 /nfs/dbraw/zinc/51/74/77/720517477.db2.gz BIHAEVFFCAKQBN-MAUKXSAKSA-N 2 0 366.937 3.116 20 0 FGADRP C[C@H](CCNC(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1)[NH+](C)C ZINC000663617799 720531011 /nfs/dbraw/zinc/53/10/11/720531011.db2.gz HNZOZOYKCMAXHX-QAPCUYQASA-N 2 0 366.937 3.116 20 0 FGADRP C[C@@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+][C@H]1CCC[NH2+]CC1 ZINC000666857785 720991670 /nfs/dbraw/zinc/99/16/70/720991670.db2.gz JGIDMUVNKMQJTH-STQMWFEESA-N 2 0 359.392 3.034 20 0 FGADRP CCC[N@H+](C)[C@@H](CNC(=O)N[C@H]1CCC[NH+](C)C1)c1ccc(Cl)cc1 ZINC000672454648 721634101 /nfs/dbraw/zinc/63/41/01/721634101.db2.gz QYCIDCKSTLQFSB-ROUUACIJSA-N 2 0 366.937 3.116 20 0 FGADRP C[NH+](C)CCOc1ccc(C[NH2+]C[C@@H](CO)c2ccc(Cl)cc2)cc1 ZINC000673616565 721668084 /nfs/dbraw/zinc/66/80/84/721668084.db2.gz FCHZMKXMDFJLPC-SFHVURJKSA-N 2 0 362.901 3.146 20 0 FGADRP CN1CCC([NH+]2CCC(CC[N@H+](C)CCCOC(C)(C)C)CC2)CC1 ZINC000674908847 721720418 /nfs/dbraw/zinc/72/04/18/721720418.db2.gz DIIWGLBLKNBXEZ-UHFFFAOYSA-N 2 0 353.595 3.320 20 0 FGADRP C[C@@H]([NH2+]C[C@@H](CO)Cc1ccccc1C(F)(F)F)C1CC[NH+](C)CC1 ZINC000678599998 721966773 /nfs/dbraw/zinc/96/67/73/721966773.db2.gz HPWJFWBVAXDTLS-CABCVRRESA-N 2 0 358.448 3.176 20 0 FGADRP Cc1cnc(N2CCC[C@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)c(C[NH3+])c1 ZINC001164994910 722205912 /nfs/dbraw/zinc/20/59/12/722205912.db2.gz JSFSWGOEWFYSJL-NRFANRHFSA-N 2 0 354.473 3.233 20 0 FGADRP C[C@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000700789122 722409897 /nfs/dbraw/zinc/40/98/97/722409897.db2.gz SZKMREOUBPMTTN-BZSNNMDCSA-N 2 0 353.551 3.486 20 0 FGADRP C[C@H]([NH2+]C1CCC([NH+](C)C)CC1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000715572861 722415916 /nfs/dbraw/zinc/41/59/16/722415916.db2.gz SIZJATMXCWQDCB-VYMRPNJYSA-N 2 0 353.551 3.484 20 0 FGADRP C[NH+](C)CC(C)(C)CNC(=S)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000727085844 722441217 /nfs/dbraw/zinc/44/12/17/722441217.db2.gz UUKMREXSSIYFAF-UHFFFAOYSA-N 2 0 368.635 3.083 20 0 FGADRP C[C@H]1CCC[N@H+](CCCC[NH2+]C[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000727465739 722444793 /nfs/dbraw/zinc/44/47/93/722444793.db2.gz JEQCXSIYFAQUCY-ROUUACIJSA-N 2 0 353.551 3.488 20 0 FGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@H](C)c2cc(Cl)c(N)c(Cl)c2)CC1 ZINC000760156797 723040493 /nfs/dbraw/zinc/04/04/93/723040493.db2.gz GWMJOLZKXYAWJN-UONOGXRCSA-N 2 0 373.372 3.500 20 0 FGADRP CC(C)[C@@](C)([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1ccc(Br)cc1 ZINC000792342120 723330662 /nfs/dbraw/zinc/33/06/62/723330662.db2.gz DXOYZKWFTBFYJZ-QZTJIDSGSA-N 2 0 369.347 3.367 20 0 FGADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]C[C@](C)(O)c1ccccc1Cl ZINC000764979800 723465506 /nfs/dbraw/zinc/46/55/06/723465506.db2.gz JBBYKKSFMAPKFQ-IBGZPJMESA-N 2 0 356.857 3.226 20 0 FGADRP O[C@H](C[NH2+][C@H]1CCC[C@@H]1c1ccccc1C(F)(F)F)C[NH+]1CCCC1 ZINC000768094601 723646963 /nfs/dbraw/zinc/64/69/63/723646963.db2.gz ATBSMMMDUVCKOP-KYJSFNMBSA-N 2 0 356.432 3.388 20 0 FGADRP CC[NH+]1CCN(CCC[NH2+][C@H](C)c2cc(C)c(OC)c(Cl)c2)CC1 ZINC000796697425 723650655 /nfs/dbraw/zinc/65/06/55/723650655.db2.gz XADLOGFJUJSNRS-MRXNPFEDSA-N 2 0 353.938 3.335 20 0 FGADRP CC(C)(C)OC(=O)N1CC[C@H]([NH2+]C2CCC([NH+]3CCCCC3)CC2)C1 ZINC000769400686 723684521 /nfs/dbraw/zinc/68/45/21/723684521.db2.gz GUGRUFCVDOIUJX-ADKAHSJRSA-N 2 0 351.535 3.383 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[C@@H]3SCCS[C@H]23)[C@@H](C)C1 ZINC000773133639 723777298 /nfs/dbraw/zinc/77/72/98/723777298.db2.gz HLLYHHNYLKGNAY-IECFSIQFSA-N 2 0 358.617 3.093 20 0 FGADRP CCOC(=O)C(F)(F)[C@@H]1CCC[C@H]([NH2+]CC2CC[NH+](C3CC3)CC2)C1 ZINC000774498211 723899901 /nfs/dbraw/zinc/89/99/01/723899901.db2.gz RRVYEEWSWDSKHE-CVEARBPZSA-N 2 0 358.473 3.208 20 0 FGADRP C[C@H]1C[C@@H]([NH2+]C2CC[NH+](CC3CC3)CC2)CCN1C(=O)OC(C)(C)C ZINC000774514289 723901298 /nfs/dbraw/zinc/90/12/98/723901298.db2.gz XSRITIJMWSLQPU-YJBOKZPZSA-N 2 0 351.535 3.238 20 0 FGADRP COC(=O)N1CCC[C@@H]([C@@H](C)[NH2+]C2CC[NH+](C3CCCCC3)CC2)C1 ZINC000775579708 724002800 /nfs/dbraw/zinc/00/28/00/724002800.db2.gz DTLRDMLAQXLQQI-IAGOWNOFSA-N 2 0 351.535 3.240 20 0 FGADRP CC[N@H+](CCC1CC[NH+](C[C@@H](O)c2ccc(F)cn2)CC1)CC(C)C ZINC000799311939 724004846 /nfs/dbraw/zinc/00/48/46/724004846.db2.gz JWWTWQHYPHKPLO-HXUWFJFHSA-N 2 0 351.510 3.334 20 0 FGADRP C[NH+](C)C[C@H](NC(=O)CCCC[NH+]1CCCC1)c1ccc(Cl)cc1 ZINC000802383279 724380406 /nfs/dbraw/zinc/38/04/06/724380406.db2.gz NQCIKWBYBAAUCV-SFHVURJKSA-N 2 0 351.922 3.325 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@H](O)c2cc(F)cc(Cl)c2)[C@H](C)C1 ZINC000787034956 725014452 /nfs/dbraw/zinc/01/44/52/725014452.db2.gz MIBDGBAFHFGYHS-CCKFTAQKSA-N 2 0 372.912 3.239 20 0 FGADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000805794396 725096137 /nfs/dbraw/zinc/09/61/37/725096137.db2.gz UEWSDMPFEOMXLH-XLIONFOSSA-N 2 0 351.535 3.194 20 0 FGADRP CC(C)(C)OC(=O)N(CC[NH2+]C1CC[NH+](CC2CC2)CC1)C(C)(C)C ZINC000809606967 725251820 /nfs/dbraw/zinc/25/18/20/725251820.db2.gz KVCBCCBPSGFPNY-UHFFFAOYSA-N 2 0 353.551 3.486 20 0 FGADRP CSC1(C[NH2+][C@@H]2CCC[C@H]2CNC(=O)OC(C)(C)C)CC[NH+](C)CC1 ZINC000810253147 725300049 /nfs/dbraw/zinc/30/00/49/725300049.db2.gz MUBIYAGDDDTDOC-JKSUJKDBSA-N 2 0 371.591 3.097 20 0 FGADRP CSC1(C[NH2+]C[C@H](CC(C)C)NC(=O)OC(C)(C)C)CC[NH+](C)CC1 ZINC000811513060 725371277 /nfs/dbraw/zinc/37/12/77/725371277.db2.gz DAASKSRHFPYXSA-INIZCTEOSA-N 2 0 373.607 3.343 20 0 FGADRP CC[NH+](CC)CCC[NH+]1CCC2(CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000814644140 726989420 /nfs/dbraw/zinc/98/94/20/726989420.db2.gz BZIAHIQKLWFUDJ-UHFFFAOYSA-N 2 0 353.551 3.441 20 0 FGADRP C[C@@H]1C[C@H](C)[N@H+](CC[C@H]2CCC[NH+]2C)C[C@H]1CNC(=O)OC(C)(C)C ZINC000817290481 727236804 /nfs/dbraw/zinc/23/68/04/727236804.db2.gz DBAKYKORICLISL-XMTFNYHQSA-N 2 0 353.551 3.342 20 0 FGADRP COc1ccc([C@@H](C)[NH2+][C@@H]2CCN(C3CC[NH+](C)CC3)C2)c(Cl)c1 ZINC000818330589 727307775 /nfs/dbraw/zinc/30/77/75/727307775.db2.gz AMNDCPUQIOOUGC-HUUCEWRRSA-N 2 0 351.922 3.168 20 0 FGADRP CC(C)[NH+]1CCC([NH2+]C[C@@](C)(O)c2ccc(Br)cc2F)CC1 ZINC000818940956 727328406 /nfs/dbraw/zinc/32/84/06/727328406.db2.gz LUABDZBCPXQZQJ-QGZVFWFLSA-N 2 0 373.310 3.258 20 0 FGADRP CCC[N@@H+]1CC[C@H](C[NH2+]C[C@@](C)(O)c2ccc(Br)cc2F)C1 ZINC000818981487 727334060 /nfs/dbraw/zinc/33/40/60/727334060.db2.gz VGXYKJGWYRNLLB-CXAGYDPISA-N 2 0 373.310 3.117 20 0 FGADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]C[C@@H](O)c2ccccc2Br)C1 ZINC000819181790 727355592 /nfs/dbraw/zinc/35/55/92/727355592.db2.gz BAWMKILPXJPTKS-CRAIPNDOSA-N 2 0 369.347 3.440 20 0 FGADRP C[NH+](C)CC1CCC([NH2+]C[C@@H](O)c2ccccc2Br)CC1 ZINC000819186546 727356064 /nfs/dbraw/zinc/35/60/64/727356064.db2.gz ZYZRZXWAMVXVQY-MQBCKMQZSA-N 2 0 355.320 3.193 20 0 FGADRP CC(C)[N@H+](C)Cc1cccc(C[NH2+]Cc2cc(-c3nn[nH]n3)cs2)c1 ZINC000820112302 728967530 /nfs/dbraw/zinc/96/75/30/728967530.db2.gz QSYKUVZUSHSOEQ-UHFFFAOYSA-N 2 0 356.499 3.058 20 0 FGADRP CC(C)(C)OC(=O)N1C[C@H]2C[C@@]2(C[NH2+]C2CC[NH+](C(C)(C)C)CC2)C1 ZINC000823677166 729298047 /nfs/dbraw/zinc/29/80/47/729298047.db2.gz RAYQFVDCAFMQOH-FOIQADDNSA-N 2 0 351.535 3.096 20 0 FGADRP CC(C)[C@H](CNC(=O)OC(C)(C)C)C[NH2+]C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000823818571 729306642 /nfs/dbraw/zinc/30/66/42/729306642.db2.gz IDKUGTHSHPXXQS-ROUUACIJSA-N 2 0 355.567 3.493 20 0 FGADRP C[C@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1[NH2+]CCCC[N@H+](C)C1CC1 ZINC000834909777 729845505 /nfs/dbraw/zinc/84/55/05/729845505.db2.gz UFOCRGYOCFXXDZ-WMZOPIPTSA-N 2 0 353.551 3.486 20 0 FGADRP CCOC(=O)C(F)(F)[C@@H]1CC[C@@H]([NH2+][C@@H](CCC[NH3+])c2ccccc2)C1 ZINC000841086099 730209229 /nfs/dbraw/zinc/20/92/29/730209229.db2.gz CPVGLPPXCMHZOO-ZACQAIPSSA-N 2 0 354.441 3.423 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N(C)C1CCC([NH3+])CC1)c1ccsc1 ZINC000841692092 730264891 /nfs/dbraw/zinc/26/48/91/730264891.db2.gz DHPKAYMHXHGYRJ-OFLPRAFFSA-N 2 0 352.548 3.042 20 0 FGADRP [NH3+]CCCCCCC[NH+]1CCC(NC(=O)Nc2ccc(F)cc2)CC1 ZINC000842471906 730506839 /nfs/dbraw/zinc/50/68/39/730506839.db2.gz GEBIUZFHASFBJQ-UHFFFAOYSA-N 2 0 350.482 3.321 20 0 FGADRP C[C@@H](NC(=O)C[N@@H+]1CCC2(C1)CC[NH2+]CC2)c1ccc(Cl)cc1Cl ZINC000843364210 730610898 /nfs/dbraw/zinc/61/08/98/730610898.db2.gz RQZKNGLRRXWLBL-CYBMUJFWSA-N 2 0 370.324 3.246 20 0 FGADRP CCOC(=O)C(F)(F)[C@H]1CCC[C@@H]([NH2+]Cc2ccccc2C[NH2+]C)C1 ZINC000844904454 730787417 /nfs/dbraw/zinc/78/74/17/730787417.db2.gz MSPBDJSIYFFKLX-DLBZAZTESA-N 2 0 354.441 3.253 20 0 FGADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H](c1ccc(F)cc1)C1CCOCC1 ZINC000883196431 737534986 /nfs/dbraw/zinc/53/49/86/737534986.db2.gz PFHGACSMFWPIFM-WOJBJXKFSA-N 2 0 352.494 3.240 20 0 FGADRP CC(C)[C@H](CNC(=[NH2+])NCc1cccc(C(F)(F)F)c1)[NH+]1CCCC1 ZINC000849090274 731227824 /nfs/dbraw/zinc/22/78/24/731227824.db2.gz ACBYLGSYFVPLQB-INIZCTEOSA-N 2 0 356.436 3.440 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])N[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000849105840 731230066 /nfs/dbraw/zinc/23/00/66/731230066.db2.gz FFAGTPHNAQEIOT-HEHGZKQESA-N 2 0 355.313 3.448 20 0 FGADRP [NH2+]=C(NC[C@@H]1CCCC1(F)F)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000849115412 731230905 /nfs/dbraw/zinc/23/09/05/731230905.db2.gz SERFPVXTTMFQNC-INIZCTEOSA-N 2 0 350.457 3.200 20 0 FGADRP C[NH+](C)CCCCCCCNC(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000853487582 731711919 /nfs/dbraw/zinc/71/19/19/731711919.db2.gz RJCCKXYLYKKLRW-GOSISDBHSA-N 2 0 352.567 3.205 20 0 FGADRP C[N@@H+]1CC[C@@H]([NH2+][C@H]2CCN(C(=O)OC(C)(C)C)C23CCC3)CC1(C)C ZINC000858228228 732194439 /nfs/dbraw/zinc/19/44/39/732194439.db2.gz FHCQHMACKOQHCE-CVEARBPZSA-N 2 0 351.535 3.381 20 0 FGADRP CO[C@@H]1CC[N@H+](CC[Si](C)(C)CC[NH+]2CC[C@H](OC)[C@H](C)C2)C[C@@H]1C ZINC000859324006 732310461 /nfs/dbraw/zinc/31/04/61/732310461.db2.gz GMAYZJNDKMIFNG-JVSBHGNQSA-N 2 0 370.654 3.408 20 0 FGADRP C[C@@H]1C[C@H](C[NH2+]C[C@@H]2CCCC[N@H+](C)C2)CCN1C(=O)OC(C)(C)C ZINC000862482243 732840126 /nfs/dbraw/zinc/84/01/26/732840126.db2.gz FVKKEYPLSYVKHJ-KURKYZTESA-N 2 0 353.551 3.344 20 0 FGADRP CC(C)[NH+]1CCN(C2CCN(c3cc[nH+]cc3C(F)(F)F)CC2)CC1 ZINC000865647994 733245779 /nfs/dbraw/zinc/24/57/79/733245779.db2.gz QCVKHIDCPBANRV-UHFFFAOYSA-N 2 0 356.436 3.095 20 0 FGADRP C[NH+](C)C[C@@H]1CN(C(=O)Nc2ccc(Cl)cc2Cl)C[C@H]1C[NH+](C)C ZINC000866040919 733304948 /nfs/dbraw/zinc/30/49/48/733304948.db2.gz LSCKCOVQSZUHGE-CHWSQXEVSA-N 2 0 373.328 3.197 20 0 FGADRP COC[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)c1cccc(Br)c1 ZINC000873222805 735739653 /nfs/dbraw/zinc/73/96/53/735739653.db2.gz GDBCPEXGBXZKEH-SRABZTEZSA-N 2 0 353.304 3.114 20 0 FGADRP COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+][C@@H](C)C1CC[NH2+]CC1 ZINC000873220110 735739661 /nfs/dbraw/zinc/73/96/61/735739661.db2.gz JLFVJCWFIQATKR-STQMWFEESA-N 2 0 353.894 3.043 20 0 FGADRP C[C@@H]([NH2+][C@@H](C)CC(=O)N(C)Cc1cccc(Cl)c1)C1CC[NH2+]CC1 ZINC000873221167 735739691 /nfs/dbraw/zinc/73/96/91/735739691.db2.gz NYYUJDZXWFPITD-LSDHHAIUSA-N 2 0 351.922 3.055 20 0 FGADRP CC[C@H](C)Oc1cc(C[NH2+]C2(CCOC)CC[NH2+]CC2)ccc1OC ZINC000873225024 735740311 /nfs/dbraw/zinc/74/03/11/735740311.db2.gz QYJLXMXNPBPOOG-INIZCTEOSA-N 2 0 350.503 3.121 20 0 FGADRP C[C@@H]([NH2+]Cc1cccc2c1CC[NH2+]C2)c1cc(Br)ncc1F ZINC000873236618 735742303 /nfs/dbraw/zinc/74/23/03/735742303.db2.gz YMTUVUUSBVSTII-LLVKDONJSA-N 2 0 364.262 3.480 20 0 FGADRP [NH3+][C@H]1C[C@@H](C[NH2+][C@@H](c2cccc(Br)c2)C2CCOCC2)C1 ZINC000873249246 735743914 /nfs/dbraw/zinc/74/39/14/735743914.db2.gz JGEOTXCUPHXECE-OAUYIBNBSA-N 2 0 353.304 3.244 20 0 FGADRP C[C@@H]([NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2)c1ccc(Br)s1 ZINC000873290530 735747227 /nfs/dbraw/zinc/74/72/27/735747227.db2.gz RDFWQUKLSVXJPI-VXGBXAGGSA-N 2 0 359.333 3.320 20 0 FGADRP CCC[NH+]1CCC(N(C)C(=O)NCCC2CC[NH+](C(C)C)CC2)CC1 ZINC000876031356 736050317 /nfs/dbraw/zinc/05/03/17/736050317.db2.gz WCDOIIHXPAMXTP-UHFFFAOYSA-N 2 0 352.567 3.013 20 0 FGADRP C[NH+](C)CCN(Cc1cccs1)C(=O)NC1CCC(C)([NH+](C)C)CC1 ZINC000876109982 736060309 /nfs/dbraw/zinc/06/03/09/736060309.db2.gz CTZXCDLUDYOIPF-UHFFFAOYSA-N 2 0 366.575 3.084 20 0 FGADRP CC(C)[N@H+](C)CC1CCN(C(=O)NC2CCC(C)([NH+](C)C)CC2)CC1 ZINC000876111416 736060341 /nfs/dbraw/zinc/06/03/41/736060341.db2.gz SENRCFDQBKASNW-UHFFFAOYSA-N 2 0 352.567 3.011 20 0 FGADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)c1csc(C2CC[NH2+]CC2)n1 ZINC000876774032 736142512 /nfs/dbraw/zinc/14/25/12/736142512.db2.gz JBGRSPPWJKRAHS-UHFFFAOYSA-N 2 0 358.511 3.232 20 0 FGADRP C[NH+](C)C[C@H](NC(=O)[C@H]1CC[C@@H]([NH3+])CC1)c1ccc(Cl)c(Cl)c1 ZINC000877053887 736181159 /nfs/dbraw/zinc/18/11/59/736181159.db2.gz ZLGDIVKWDYPWMJ-GHJWDPDVSA-N 2 0 358.313 3.230 20 0 FGADRP COCC[N@@H+](Cc1ccc(SC)c(OC)c1)CC1CC[NH+](C)CC1 ZINC000877665021 736701806 /nfs/dbraw/zinc/70/18/06/736701806.db2.gz CTDWFFWPXGLZLZ-UHFFFAOYSA-N 2 0 352.544 3.207 20 0 FGADRP C[NH+](C)C[C@@H]1CN(Cc2ccc(F)c(C(F)(F)F)c2)C[C@H]1C[NH+](C)C ZINC000877669777 736701867 /nfs/dbraw/zinc/70/18/67/736701867.db2.gz YWMSCBFNMGXHNI-HUUCEWRRSA-N 2 0 361.427 3.016 20 0 FGADRP CC[NH+](CC)Cc1ccccc1C[NH2+]Cc1c2c(nn1C)CCSC2 ZINC000882880938 737500272 /nfs/dbraw/zinc/50/02/72/737500272.db2.gz PNLYRPQTAVCVLO-UHFFFAOYSA-N 2 0 358.555 3.341 20 0 FGADRP C[NH+](C)[C@@H](CNC(=O)[C@H](N)c1ccccc1C(F)(F)F)c1cccs1 ZINC000884177700 737640832 /nfs/dbraw/zinc/64/08/32/737640832.db2.gz QOCMZSJKIIDKGR-DZGCQCFKSA-N 2 0 371.428 3.186 20 0 FGADRP CN(CCCCCC[NH3+])C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000891459571 739904698 /nfs/dbraw/zinc/90/46/98/739904698.db2.gz BLQFSSRCUPRLKY-KRWDZBQOSA-N 2 0 366.575 3.121 20 0 FGADRP F[C@@H]1CC2(CC[C@@H]1[NH+]1CCC(CCC[NH+]3CCCC3)CC1)OCCO2 ZINC000892144337 739970093 /nfs/dbraw/zinc/97/00/93/739970093.db2.gz NGOAGTHJLYJWJT-MOPGFXCFSA-N 2 0 354.510 3.208 20 0 FGADRP CC1CC[NH+](CCCC[NH2+]C[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC000892588645 740020374 /nfs/dbraw/zinc/02/03/74/740020374.db2.gz IHLALHCSZJDTMV-HDICACEKSA-N 2 0 353.551 3.391 20 0 FGADRP CC(C)(C)OC(=O)N[C@H]1C[C@@H](C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)C1 ZINC000895479954 742417082 /nfs/dbraw/zinc/41/70/82/742417082.db2.gz YKXNRHPCHQBJSU-KURKYZTESA-N 2 0 351.535 3.001 20 0 FGADRP CCC[C@H]([NH2+][C@H]1CC[NH2+]CC(C)(C)C1)C(=O)N1CCc2sccc2C1 ZINC000902346975 743734566 /nfs/dbraw/zinc/73/45/66/743734566.db2.gz NSABPPSYDZKEHX-IRXDYDNUSA-N 2 0 363.571 3.169 20 0 FGADRP [NH3+]CCCC[C@@H]([NH2+]C[C@H]1COC2(CCCC2)O1)c1ccc(F)cc1F ZINC000902368184 743737678 /nfs/dbraw/zinc/73/76/78/743737678.db2.gz FBTVGOQJXZYIQU-MAUKXSAKSA-N 2 0 354.441 3.410 20 0 FGADRP O[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)c1ccc(C(F)(F)F)cc1 ZINC000903169701 743816127 /nfs/dbraw/zinc/81/61/27/743816127.db2.gz DCXIOQSHXLPODD-ONQFOCNCSA-N 2 0 354.416 3.486 20 0 FGADRP C[N@@H+](Cc1ccc(Br)s1)C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903718675 743879043 /nfs/dbraw/zinc/87/90/43/743879043.db2.gz QNYGESIMAYPOAQ-GFCCVEGCSA-N 2 0 359.333 3.101 20 0 FGADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@H+](CCOc3ccc(F)c(Cl)c3)C2)C1 ZINC000903764291 743881636 /nfs/dbraw/zinc/88/16/36/743881636.db2.gz QWMIVAQHFFJACY-IYOUNJFTSA-N 2 0 356.869 3.076 20 0 FGADRP [NH3+]CC1(c2ccccc2)CC[NH+](Cc2ncccc2Br)CC1 ZINC000903792703 743884349 /nfs/dbraw/zinc/88/43/49/743884349.db2.gz GWORGEKSVNNEOO-UHFFFAOYSA-N 2 0 360.299 3.337 20 0 FGADRP C[C@@H](C(=O)N1CCC[C@H]1c1cccs1)[NH+]1CCC(C(C)(C)C[NH3+])CC1 ZINC000903790659 743884484 /nfs/dbraw/zinc/88/44/84/743884484.db2.gz ULFLIFSJDLHKGG-RDJZCZTQSA-N 2 0 363.571 3.497 20 0 FGADRP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccnc(-c3ccc(Br)cc3)n1)C2 ZINC000903842173 743887574 /nfs/dbraw/zinc/88/75/74/743887574.db2.gz KVOVKXUYDLNGKD-MJEQTWJJSA-N 2 0 373.298 3.218 20 0 FGADRP COCCC[NH+]1CCC([NH2+]C[C@@H](O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000905088686 743992247 /nfs/dbraw/zinc/99/22/47/743992247.db2.gz JORXMCHNZMMBBU-QGZVFWFLSA-N 2 0 361.313 3.117 20 0 FGADRP C[C@](O)(C[NH2+]C1CCC(C)([NH+]2CCCC2)CC1)C(F)(F)C(F)(F)F ZINC000905534807 744031055 /nfs/dbraw/zinc/03/10/55/744031055.db2.gz VPXPQXLPTIIAIM-RUXDESIVSA-N 2 0 358.395 3.322 20 0 FGADRP CC1([NH+]2CCC2)CCC([NH2+]C[C@H](O)COCc2ccc(Cl)cc2)CC1 ZINC000905603384 744035642 /nfs/dbraw/zinc/03/56/42/744035642.db2.gz ZNSWMVQFAPBEES-GPJFCIFZSA-N 2 0 366.933 3.214 20 0 FGADRP CCC(CC)[C@@H](CNC(=O)NC[C@@H](C)[NH+]1CCCCC1)[NH+]1CCCC1 ZINC000918120692 758304776 /nfs/dbraw/zinc/30/47/76/758304776.db2.gz JZALJZMHPBQTBR-IEBWSBKVSA-N 2 0 352.567 3.061 20 0 FGADRP Cc1nc2ccc(C[NH2+][C@@H]3C[C@@]4(C[N@@H+](C)[C@H]4C(C)C)C[C@H]3O)cc2s1 ZINC000922391188 758911861 /nfs/dbraw/zinc/91/18/61/758911861.db2.gz UKDDODOEDKVHCI-JYBIWHBTSA-N 2 0 359.539 3.174 20 0 FGADRP CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3cnc(C(C)C)s3)C2)[C@@H]1C(C)C ZINC000922394729 758913562 /nfs/dbraw/zinc/91/35/62/758913562.db2.gz SERXVTCKJTVSEF-VXNCWWDNSA-N 2 0 351.560 3.226 20 0 FGADRP Brc1ccc([C@@H]2CCC[N@@H+]2C[C@H]2CC3(C[NH2+]C3)CO2)s1 ZINC000923375744 759107708 /nfs/dbraw/zinc/10/77/08/759107708.db2.gz DAFABLAMHHRLLV-NEPJUHHUSA-N 2 0 357.317 3.026 20 0 FGADRP C[C@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000923488335 759129496 /nfs/dbraw/zinc/12/94/96/759129496.db2.gz RZYWAAGPKFLYHP-NEPJUHHUSA-N 2 0 354.376 3.487 20 0 FGADRP Cn1cc(-c2nc(C[NH+]3CCC([C@@H]4CCC[NH2+]CC4)CC3)cs2)cn1 ZINC000923505770 759134668 /nfs/dbraw/zinc/13/46/68/759134668.db2.gz CFEHLNIYFZZXPP-OAHLLOKOSA-N 2 0 359.543 3.145 20 0 FGADRP CCN1CC[C@H]([NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000925635966 759516448 /nfs/dbraw/zinc/51/64/48/759516448.db2.gz WETOQRYUAAQILF-LISAXSMJSA-N 2 0 353.432 3.099 20 0 FGADRP Brc1cnn(CCCC[NH2+][C@@H]2CC[NH2+]C[C@H]2C2CCCC2)c1 ZINC000925653460 759517399 /nfs/dbraw/zinc/51/73/99/759517399.db2.gz LSTTUJOATDVLOY-DLBZAZTESA-N 2 0 369.351 3.184 20 0 FGADRP CC(C)Oc1cc(Cl)ccc1CN[C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000925737158 759528210 /nfs/dbraw/zinc/52/82/10/759528210.db2.gz PTIGBZXFVSAQOT-KZNAEPCWSA-N 2 0 352.906 3.374 20 0 FGADRP CC(C)([NH3+])CCN[C@@H](c1ccc(F)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000925743039 759528287 /nfs/dbraw/zinc/52/82/87/759528287.db2.gz ZDYKTBXKRKUFIG-SFHVURJKSA-N 2 0 364.486 3.036 20 0 FGADRP CC[C@H]([NH2+]CCN1CCC([NH3+])CC1)c1cc(F)cc(Br)c1 ZINC000925813902 759549233 /nfs/dbraw/zinc/54/92/33/759549233.db2.gz DJEOHPREYZMWRR-INIZCTEOSA-N 2 0 358.299 3.052 20 0 FGADRP C[C@H]([NH2+]CCCCCC1CC[NH2+]CC1)c1ccc(NS(C)(=O)=O)cc1 ZINC000925818339 759550988 /nfs/dbraw/zinc/55/09/88/759550988.db2.gz VCYOARBRHSLDOO-INIZCTEOSA-N 2 0 367.559 3.269 20 0 FGADRP CCC[C@@H]([NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ccc(Cl)cc1 ZINC000925850385 759558499 /nfs/dbraw/zinc/55/84/99/759558499.db2.gz ADMVWGPXFDKTJE-DLBZAZTESA-N 2 0 350.890 3.456 20 0 FGADRP O=C1O[C@H](C[NH2+][C@H]2CCCCc3ccc(Cl)cc32)CC12CC[NH2+]CC2 ZINC000925854897 759559478 /nfs/dbraw/zinc/55/94/78/759559478.db2.gz SQGZFXPMRQINDB-WMZOPIPTSA-N 2 0 362.901 3.382 20 0 FGADRP CCOc1ccc(Cl)cc1[C@@H](C)[NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925857321 759561659 /nfs/dbraw/zinc/56/16/59/759561659.db2.gz ZKZDHLPNXGRTHR-HIFRSBDPSA-N 2 0 366.889 3.075 20 0 FGADRP CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+][C@H]1CCCc3c(Cl)ccnc31)C2 ZINC000926879515 759836970 /nfs/dbraw/zinc/83/69/70/759836970.db2.gz LJLXLLZRMRGDGK-NIMBFUQJSA-N 2 0 363.933 3.182 20 0 FGADRP C[C@H]([NH2+]C1CCC(C)([NH+]2CCC2)CC1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000927038307 759880489 /nfs/dbraw/zinc/88/04/89/759880489.db2.gz PLNIDDVZNDBSRC-FVWXCPNNSA-N 2 0 351.535 3.238 20 0 FGADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)C2)C[C@@H]1C ZINC000929780129 760456710 /nfs/dbraw/zinc/45/67/10/760456710.db2.gz KWIIAYZBRGLAOJ-MHORFTMASA-N 2 0 353.551 3.484 20 0 FGADRP C[N@@H+]1CCC[C@@H]2C[NH+](C[C@@H]3CC[C@H](NC(=O)OC(C)(C)C)C3)CC[C@@H]21 ZINC000929848035 760469768 /nfs/dbraw/zinc/46/97/68/760469768.db2.gz OWHPNQSHPYIRBY-BDXSIMOUSA-N 2 0 351.535 3.096 20 0 FGADRP CC(=O)NCCCCC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000930373054 760592063 /nfs/dbraw/zinc/59/20/63/760592063.db2.gz GUWPGMBZTUIVEB-GOSISDBHSA-N 2 0 351.560 3.117 20 0 FGADRP CC[C@@H]1[C@@H](C(=O)N(CC)[C@@H]2CCC[NH+](C/C=C\Cl)CC2)CC[N@@H+]1C ZINC000998006643 765091142 /nfs/dbraw/zinc/09/11/42/765091142.db2.gz LKTUCIALAWZUAH-PITYMMCISA-N 2 0 355.954 3.172 20 0 FGADRP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]([NH2+]Cc3ccc(Cl)s3)C2)CC[N@@H+]1C ZINC000999199556 765145527 /nfs/dbraw/zinc/14/55/27/765145527.db2.gz IJOIIDMJQJFLRC-CWRNSKLLSA-N 2 0 369.962 3.212 20 0 FGADRP C[C@@H]1[C@H](C(=O)N(C)C2CC[NH+](Cc3cccc(Cl)c3)CC2)CC[N@@H+]1C ZINC001005407118 765468991 /nfs/dbraw/zinc/46/89/91/765468991.db2.gz MCDOICKJARPVGL-DNVCBOLYSA-N 2 0 363.933 3.103 20 0 FGADRP C[C@H]([NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1)c1ccc(F)c(Cl)c1 ZINC001020172993 765867252 /nfs/dbraw/zinc/86/72/52/765867252.db2.gz MSEANGPQYIPUAF-PTNZTPPNSA-N 2 0 367.896 3.117 20 0 FGADRP CC[C@@H]1[C@@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccsc2)CC[N@@H+]1C ZINC001021262427 765922005 /nfs/dbraw/zinc/92/20/05/765922005.db2.gz MLTUJNSZDVEKLM-HDDXRBDOSA-N 2 0 361.555 3.090 20 0 FGADRP C[C@@H]1[C@H](C(=O)NC[C@H]2CCC[NH+](Cc3sccc3Cl)C2)CC[N@@H+]1C ZINC001023379267 766036208 /nfs/dbraw/zinc/03/62/08/766036208.db2.gz JLXBIOSEXRPEAG-RBSFLKMASA-N 2 0 369.962 3.070 20 0 FGADRP C[C@@H]1[C@H](C(=O)NC2CCC([NH2+]Cc3ccc(Cl)cc3)CC2)CC[N@@H+]1C ZINC001026496737 766074887 /nfs/dbraw/zinc/07/48/87/766074887.db2.gz RNMUJPCUCODMTE-YOODTLSXSA-N 2 0 363.933 3.197 20 0 FGADRP CC[C@@H]1[C@@H](C(=O)N(CC)[C@@H]2CC[NH+](Cc3csc(C)c3)C2)CC[N@@H+]1C ZINC001033837305 766223015 /nfs/dbraw/zinc/22/30/15/766223015.db2.gz HBWYSBZRIRJPOC-CEXWTWQISA-N 2 0 363.571 3.210 20 0 FGADRP Cc1ccc(C[NH+]2CC[C@@](C)(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)c(Cl)c1 ZINC001046330275 766585958 /nfs/dbraw/zinc/58/59/58/766585958.db2.gz YIYSRSIXNVHJAC-WRWLIDTKSA-N 2 0 363.933 3.069 20 0 FGADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+][C@@H]3CCO[C@H](c4cncn4C)C3)CC2)C1 ZINC000328630304 210117169 /nfs/dbraw/zinc/11/71/69/210117169.db2.gz JFDOLJWSLMVYCJ-RBAQFSTRSA-N 2 0 360.546 3.273 20 0 FGADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+][C@H]3CCCO[C@@H]3c3cnn(C)c3)CC2)C1 ZINC000328623327 210113649 /nfs/dbraw/zinc/11/36/49/210113649.db2.gz BWPXGAVJMWBGGO-MBPVOVBZSA-N 2 0 360.546 3.273 20 0 FGADRP CCC[N@H+](Cc1ccc(I)cc1)C1CC[NH2+]CC1 ZINC000088183151 494211164 /nfs/dbraw/zinc/21/11/64/494211164.db2.gz VKWWORPQXYYCQH-UHFFFAOYSA-N 2 0 358.267 3.255 20 0 FGADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)c2cccc(NS(C)(=O)=O)c2)C1 ZINC000540147681 503689552 /nfs/dbraw/zinc/68/95/52/503689552.db2.gz ORCBSOHUANVYMH-DLBZAZTESA-N 2 0 367.559 3.077 20 0 FGADRP C[N@H+](Cc1ccccc1)CC(C)(C)CN1CCC[C@@H](c2ccnc(N)n2)C1 ZINC000576737199 505581745 /nfs/dbraw/zinc/58/17/45/505581745.db2.gz XTHHTQXOWNDZRA-LJQANCHMSA-N 2 0 367.541 3.227 20 0 FGADRP CCC[NH2+][C@H](C)C(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000570797577 505583665 /nfs/dbraw/zinc/58/36/65/505583665.db2.gz ATGKASNXMQUVIL-OAHLLOKOSA-N 2 0 351.922 3.056 20 0 FGADRP C[C@@H]1C[C@@H]([NH2+]C[C@H](O)Cn2c3ccccc3c3ccccc32)CC[N@@H+]1C ZINC000573676193 505594116 /nfs/dbraw/zinc/59/41/16/505594116.db2.gz BHQTXIRREGBCIC-SQNIBIBYSA-N 2 0 351.494 3.228 20 0 FGADRP CC(C)(C)[NH+]1CCC([NH2+]C[C@H](O)Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000573676989 505595025 /nfs/dbraw/zinc/59/50/25/505595025.db2.gz XIMOWUSVIJNPJR-QGZVFWFLSA-N 2 0 358.448 3.461 20 0 FGADRP COc1ccc(NC(=O)[C@H](c2ccccc2)[NH+]2CCC(CC[NH3+])CC2)cc1 ZINC000568057145 505605548 /nfs/dbraw/zinc/60/55/48/505605548.db2.gz SHWSTDYJGKIUEF-NRFANRHFSA-N 2 0 367.493 3.436 20 0 FGADRP COc1ccc(OCC[NH+]2CCN(c3cc[nH+]c4ccccc43)CC2)cc1 ZINC000576851492 505609457 /nfs/dbraw/zinc/60/94/57/505609457.db2.gz ARAWBQNDECJWTL-UHFFFAOYSA-N 2 0 363.461 3.444 20 0 FGADRP CCSCC[C@@H](C)N(C)C(=O)C1CC[NH+](C2CCN(CC)CC2)CC1 ZINC000568106664 505617994 /nfs/dbraw/zinc/61/79/94/505617994.db2.gz UOXGHRYBOBTNNP-QGZVFWFLSA-N 2 0 369.619 3.173 20 0 FGADRP CCCCOc1ccc(C[NH+]2CCC(C[NH+]3CCN(C)CC3)CC2)cc1 ZINC000573884115 505643220 /nfs/dbraw/zinc/64/32/20/505643220.db2.gz ZRMRQLZRGFNVBG-UHFFFAOYSA-N 2 0 359.558 3.325 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1ncc(C(F)(F)F)s1 ZINC000577026804 505646980 /nfs/dbraw/zinc/64/69/80/505646980.db2.gz YZDCJRVWZKHASB-CYBMUJFWSA-N 2 0 364.481 3.010 20 0 FGADRP C[NH+](C)Cc1cc(C[NH2+]C[C@@H](O)Cc2cccc(Cl)c2)ccc1F ZINC000571075352 505647931 /nfs/dbraw/zinc/64/79/31/505647931.db2.gz YKMMZTGEIONCHY-SFHVURJKSA-N 2 0 350.865 3.234 20 0 FGADRP Cc1c(Br)cccc1C[NH2+][C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC000568247578 505652084 /nfs/dbraw/zinc/65/20/84/505652084.db2.gz QNYPIBOWUTXEAD-USXIJHARSA-N 2 0 353.304 3.004 20 0 FGADRP COc1ccccc1-n1nccc1C[N@@H+]1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000571126626 505658600 /nfs/dbraw/zinc/65/86/00/505658600.db2.gz KGHOTEIBPNIWAV-SFHVURJKSA-N 2 0 354.498 3.045 20 0 FGADRP CC[NH+]1CCC(NC(=O)NCc2ccccc2C[N@@H+]2CCCC[C@H]2C)CC1 ZINC000047978712 493769520 /nfs/dbraw/zinc/76/95/20/493769520.db2.gz SHGPYYQLPFFLDE-GOSISDBHSA-N 2 0 372.557 3.345 20 0 FGADRP CCCC[NH+]1CCC(NC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000068442168 493821583 /nfs/dbraw/zinc/82/15/83/493821583.db2.gz ZYTJNHNAXJITLU-HXUWFJFHSA-N 2 0 357.542 3.279 20 0 FGADRP CC[NH+]1CCC(N(C(=O)c2cccc(C[NH+]3CCCC3)c2)C2CC2)CC1 ZINC000058261087 493839097 /nfs/dbraw/zinc/83/90/97/493839097.db2.gz SAQLJTDEMFJQBY-UHFFFAOYSA-N 2 0 355.526 3.371 20 0 FGADRP CC[N@H+](C)Cc1cccc(CNC(=O)NC[C@H](c2cccs2)[NH+](C)C)c1 ZINC000068564539 493841606 /nfs/dbraw/zinc/84/16/06/493841606.db2.gz XRFUEHXOALKUPJ-GOSISDBHSA-N 2 0 374.554 3.302 20 0 FGADRP C[NH+](C)Cc1ccccc1CNC(=O)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000050025598 493891816 /nfs/dbraw/zinc/89/18/16/493891816.db2.gz MFVCTJYRUPXTOB-OAQYLSRUSA-N 2 0 351.494 3.029 20 0 FGADRP C[C@@H]1C[NH+](CC2CC[NH+](Cc3ccc(-n4ccnc4)cc3)CC2)C[C@@H](C)O1 ZINC000069017163 493907602 /nfs/dbraw/zinc/90/76/02/493907602.db2.gz ZKVFVRNMCWWPDW-RTBURBONSA-N 2 0 368.525 3.194 20 0 FGADRP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+](C)CC1CCCC1 ZINC000060211364 493918258 /nfs/dbraw/zinc/91/82/58/493918258.db2.gz CVBDRSKZWLDSEP-SFHVURJKSA-N 2 0 357.542 3.278 20 0 FGADRP CSc1ccccc1NC(=O)CC[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000081636269 493935865 /nfs/dbraw/zinc/93/58/65/493935865.db2.gz ODOADADAECMSIE-KRWDZBQOSA-N 2 0 361.555 3.401 20 0 FGADRP CC[NH+](CC)CCN(Cc1ccccc1)C(=O)NC1CC[NH+](CC)CC1 ZINC000069204366 493936185 /nfs/dbraw/zinc/93/61/85/493936185.db2.gz XNWFCQIEXPOFMH-UHFFFAOYSA-N 2 0 360.546 3.024 20 0 FGADRP [NH3+][C@H](CCC(=O)NC1CC[NH+](Cc2ccncc2)CC1)CC1CCCCC1 ZINC000577218988 505690327 /nfs/dbraw/zinc/69/03/27/505690327.db2.gz PQYVGTMYZYDPLO-HXUWFJFHSA-N 2 0 372.557 3.240 20 0 FGADRP C[C@H](CNC(=O)NCc1ccccc1C[NH+]1CCCC1)[N@@H+]1CCCC[C@@H]1C ZINC000061553182 493982372 /nfs/dbraw/zinc/98/23/72/493982372.db2.gz OVMUAIFOAIDAOL-RBUKOAKNSA-N 2 0 372.557 3.345 20 0 FGADRP Clc1ccc(OCCC[NH+]2CCC(C[NH+]3CCOCC3)CC2)cc1 ZINC000051958512 493994196 /nfs/dbraw/zinc/99/41/96/493994196.db2.gz NUVJRMIGVMDWER-UHFFFAOYSA-N 2 0 352.906 3.153 20 0 FGADRP CC[N@H+](C)Cc1cccc(CNC(=O)NC[C@@H](C)[NH+]2CCC[C@@H](C)C2)c1 ZINC000061863536 493997669 /nfs/dbraw/zinc/99/76/69/493997669.db2.gz ZIORLKPSXKDHNT-QZTJIDSGSA-N 2 0 360.546 3.058 20 0 FGADRP CSC1(C[NH2+]Cc2nc3ccc(Cl)cc3n2C)CC[NH+](C)CC1 ZINC000577250382 505694401 /nfs/dbraw/zinc/69/44/01/505694401.db2.gz WVBHKDCMIDSOQL-UHFFFAOYSA-N 2 0 352.935 3.144 20 0 FGADRP CC(=O)Nc1cccc(C[NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)c1 ZINC000069831430 494019654 /nfs/dbraw/zinc/01/96/54/494019654.db2.gz GTJAFWGZSDYXRB-UHFFFAOYSA-N 2 0 367.493 3.409 20 0 FGADRP Brc1ccc(OCC[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)cc1 ZINC000063199993 494033563 /nfs/dbraw/zinc/03/35/63/494033563.db2.gz SAERDPAWJLJAFQ-KRWDZBQOSA-N 2 0 353.304 3.292 20 0 FGADRP CC(C)C[NH+]1CCC(NC(=O)NC2CC[NH+](CC3CCCC3)CC2)CC1 ZINC000063407792 494052627 /nfs/dbraw/zinc/05/26/27/494052627.db2.gz BHDUOSYDJRDZIS-UHFFFAOYSA-N 2 0 364.578 3.061 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)N2CC[NH+](C3CCCC3)CC2)C1 ZINC000072020129 494116848 /nfs/dbraw/zinc/11/68/48/494116848.db2.gz USNZTJSWECKWAB-HDICACEKSA-N 2 0 364.578 3.013 20 0 FGADRP C[C@@H](CNC(=O)NCc1ccccc1C[NH+]1CCCC1)[NH+]1CCC(C)CC1 ZINC000065477625 494202796 /nfs/dbraw/zinc/20/27/96/494202796.db2.gz CASLFCHPHLGOQI-IBGZPJMESA-N 2 0 372.557 3.202 20 0 FGADRP C[NH+](C)CCN(Cc1ccco1)C(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000088250402 494220788 /nfs/dbraw/zinc/22/07/88/494220788.db2.gz OWJYKLLRUIDATO-FQEVSTJZSA-N 2 0 369.509 3.082 20 0 FGADRP O=C(CC[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1)Nc1cc(F)cc(F)c1 ZINC000072718367 494239838 /nfs/dbraw/zinc/23/98/38/494239838.db2.gz MLAFZUGVLXQYRZ-OAHLLOKOSA-N 2 0 351.441 3.101 20 0 FGADRP C[NH+](C)C1(CNC(=O)[C@H]2CCC[N@H+](Cc3cccc(F)c3)C2)CCCC1 ZINC000065868468 494249609 /nfs/dbraw/zinc/24/96/09/494249609.db2.gz YPSRWOBJNVCGDE-SFHVURJKSA-N 2 0 361.505 3.028 20 0 FGADRP Cc1nc(C[NH+]2CCC(CC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)sc1C ZINC000088603765 494251555 /nfs/dbraw/zinc/25/15/55/494251555.db2.gz CLAWTOCQJKQOOO-HUUCEWRRSA-N 2 0 351.560 3.471 20 0 FGADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)C1 ZINC000042910824 494251918 /nfs/dbraw/zinc/25/19/18/494251918.db2.gz FRIHDQHHLZOAPD-MRXNPFEDSA-N 2 0 352.567 3.107 20 0 FGADRP O=C(NCCC[NH2+]C1CCCCC1)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000043035908 494259549 /nfs/dbraw/zinc/25/95/49/494259549.db2.gz CFFGEQHOEQHLGQ-UHFFFAOYSA-N 2 0 372.557 3.394 20 0 FGADRP C[C@H](c1ccc(OC(F)F)cc1)[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000089269118 494282840 /nfs/dbraw/zinc/28/28/40/494282840.db2.gz HRKLJEXGKYRMRO-OAHLLOKOSA-N 2 0 355.473 3.307 20 0 FGADRP CSC1(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CC[NH+](C)CC1 ZINC000580250752 505712961 /nfs/dbraw/zinc/71/29/61/505712961.db2.gz NOAHFRFHIPMUPF-AZUAARDMSA-N 3 0 361.599 3.457 20 0 FGADRP C[C@H]([NH2+][C@@H]1CCCC[C@H]1C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000078625614 494333306 /nfs/dbraw/zinc/33/33/06/494333306.db2.gz IZZBOAMMAOSGLI-LVCYWYKZSA-N 2 0 357.542 3.324 20 0 FGADRP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)c2oc3ccccc3c2C[NH+](C)C)C1 ZINC000078714979 494347616 /nfs/dbraw/zinc/34/76/16/494347616.db2.gz VPMRFZXLCCSDAP-INIZCTEOSA-N 2 0 357.498 3.345 20 0 FGADRP CC[NH+](CC)Cc1ccccc1CNC(=O)NCCC1CC[NH+](CC)CC1 ZINC000073542071 494386492 /nfs/dbraw/zinc/38/64/92/494386492.db2.gz LVBJLNRUBDTNIL-UHFFFAOYSA-N 2 0 374.573 3.450 20 0 FGADRP O=C(NCCC[NH+]1CCCC1)C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000044913416 494388006 /nfs/dbraw/zinc/38/80/06/494388006.db2.gz FLEMFHMGXMKGPK-UHFFFAOYSA-N 2 0 363.933 3.154 20 0 FGADRP O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)N1CCC([NH+]2CCCC2)CC1 ZINC000079007716 494391652 /nfs/dbraw/zinc/39/16/52/494391652.db2.gz QQEDWQJRRLQCKQ-NRFANRHFSA-N 2 0 370.541 3.093 20 0 FGADRP C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)NCCC[NH+]2CCCC2)C1 ZINC000045121410 494399220 /nfs/dbraw/zinc/39/92/20/494399220.db2.gz MXWPJPPXIYRQOH-LJQANCHMSA-N 2 0 372.557 3.204 20 0 FGADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)NCc2cccc(C[NH+]3CCCC3)c2)C1 ZINC000073628251 494403758 /nfs/dbraw/zinc/40/37/58/494403758.db2.gz DTGBXZMDWFLZEM-NRFANRHFSA-N 2 0 372.557 3.156 20 0 FGADRP CC[NH+]1CCC(CCNC(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)CC1 ZINC000073666309 494409879 /nfs/dbraw/zinc/40/98/79/494409879.db2.gz XFCCODAAOCTAJG-OAQYLSRUSA-N 2 0 372.557 3.245 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N(C)CC[C@@H]1CCCC[NH+]1C ZINC000073677002 494411870 /nfs/dbraw/zinc/41/18/70/494411870.db2.gz FNDBJKQQYXMQRR-MOPGFXCFSA-N 2 0 352.567 3.157 20 0 FGADRP Cc1ccccc1C[NH+]1CCC(NC(=O)N[C@@H](C)C[NH+]2CCCCC2)CC1 ZINC000079168450 494413026 /nfs/dbraw/zinc/41/30/26/494413026.db2.gz OEPXTNFGICZIII-IBGZPJMESA-N 2 0 372.557 3.133 20 0 FGADRP CC(C)C[NH+]1CCC(NC(=O)NCc2ccccc2C[N@H+](C)C(C)C)CC1 ZINC000045462945 494430889 /nfs/dbraw/zinc/43/08/89/494430889.db2.gz FKCXKQGZRMRTHP-UHFFFAOYSA-N 2 0 374.573 3.446 20 0 FGADRP C[NH+](C)CCNC(=O)c1ccc(C[NH2+][C@H]2CCSc3ccccc32)cc1 ZINC000090038541 494431439 /nfs/dbraw/zinc/43/14/39/494431439.db2.gz YEMIVOYQVBVQTF-IBGZPJMESA-N 2 0 369.534 3.305 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C)c1ccco1 ZINC000073898579 494445613 /nfs/dbraw/zinc/44/56/13/494445613.db2.gz AOTUYINVWGVNGO-ZWKOTPCHSA-N 2 0 364.534 3.178 20 0 FGADRP C[C@@H]([NH2+]Cc1ccc([S@@](C)=O)cc1)c1cccc(OCC[NH+](C)C)c1 ZINC000090221123 494456506 /nfs/dbraw/zinc/45/65/06/494456506.db2.gz GFWONFOFOREZAQ-CPJLOUKISA-N 2 0 360.523 3.215 20 0 FGADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000045788977 494461951 /nfs/dbraw/zinc/46/19/51/494461951.db2.gz BPLPMGQQPCFDSC-UHFFFAOYSA-N 2 0 372.557 3.297 20 0 FGADRP CC[NH+](CC)[C@H](C)CNC(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000074010936 494465720 /nfs/dbraw/zinc/46/57/20/494465720.db2.gz NDKVJMMQIDJWSP-OTWHNJEPSA-N 2 0 352.567 3.013 20 0 FGADRP COc1cc(C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)c(SC)cc1OC ZINC000574204388 505719650 /nfs/dbraw/zinc/71/96/50/505719650.db2.gz DJKJZUGUPUCUKR-HNNXBMFYSA-N 2 0 350.528 3.247 20 0 FGADRP C[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1ccc(-n2ccnc2)cc1 ZINC000090523954 494478559 /nfs/dbraw/zinc/47/85/59/494478559.db2.gz UABMWBCCMGLZKI-YHYVQYDKSA-N 2 0 368.525 3.291 20 0 FGADRP CC(C)[N@H+](C)CC1CCN(C(=O)NC[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000079569724 494484210 /nfs/dbraw/zinc/48/42/10/494484210.db2.gz FGFISHIUOCQUOZ-HXUWFJFHSA-N 2 0 360.546 3.051 20 0 FGADRP C[C@H]([NH2+]Cc1cn(C)nc1C(F)(F)F)c1ccc(OCC[NH+](C)C)cc1 ZINC000090666405 494492053 /nfs/dbraw/zinc/49/20/53/494492053.db2.gz PCWVQFQBIFXRCE-ZDUSSCGKSA-N 2 0 370.419 3.230 20 0 FGADRP CC1CC[NH+](CCCNC(=O)c2oc3ccccc3c2C[NH+](C)C)CC1 ZINC000074187102 494494491 /nfs/dbraw/zinc/49/44/91/494494491.db2.gz MVEWCXWJIAFCNX-UHFFFAOYSA-N 2 0 357.498 3.346 20 0 FGADRP C[NH+](C)CCC1CCN(C(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000079627268 494496292 /nfs/dbraw/zinc/49/62/92/494496292.db2.gz PVIGIHUISRBZPE-NRFANRHFSA-N 2 0 372.557 3.024 20 0 FGADRP C[C@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)c1ccc(F)cc1N(C)C ZINC000090937152 494504302 /nfs/dbraw/zinc/50/43/02/494504302.db2.gz UXUPINUAGLJPCS-HNNXBMFYSA-N 2 0 360.477 3.078 20 0 FGADRP Cc1ccc2c(c1)OCCC[C@@H]2[NH2+]Cc1ccnc(OCC[NH+](C)C)c1 ZINC000090937232 494504664 /nfs/dbraw/zinc/50/46/64/494504664.db2.gz VOWRVTKNSKYICT-IBGZPJMESA-N 2 0 355.482 3.334 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000079733754 494518362 /nfs/dbraw/zinc/51/83/62/494518362.db2.gz CKFSJRNJZRFULM-CTNGQTDRSA-N 2 0 374.573 3.113 20 0 FGADRP Cc1cccc(C)c1C[NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000091060244 494521801 /nfs/dbraw/zinc/52/18/01/494521801.db2.gz DLUJCYRLRUJWDH-OAQYLSRUSA-N 2 0 365.521 3.291 20 0 FGADRP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@@H]1CCC[NH+]1CC ZINC000074496992 494547740 /nfs/dbraw/zinc/54/77/40/494547740.db2.gz CVAIDGGIPXQZJZ-RTWAWAEBSA-N 2 0 372.557 3.024 20 0 FGADRP O=C(NCC[NH+]1CCCCC1)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000056764075 494559501 /nfs/dbraw/zinc/55/95/01/494559501.db2.gz GRJKCHNEXDJTGN-UHFFFAOYSA-N 2 0 358.530 3.322 20 0 FGADRP C[C@H](C[NH2+][C@H](c1cccc(C(F)(F)F)c1)C1CC1)N1CC[NH+](C)CC1 ZINC000091333421 494584544 /nfs/dbraw/zinc/58/45/44/494584544.db2.gz NYCUPTLKMYRVRB-KDOFPFPSSA-N 2 0 355.448 3.382 20 0 FGADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H](C)c1nc2ccc(Cl)cc2n1C ZINC000091369044 494587314 /nfs/dbraw/zinc/58/73/14/494587314.db2.gz MOWYDJDRMJAVGU-DZGCQCFKSA-N 2 0 352.910 3.234 20 0 FGADRP CC[C@H](C)[N@H+](C)CCNC(=O)N[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000080110795 494600925 /nfs/dbraw/zinc/60/09/25/494600925.db2.gz WPDHAAVPTKDPCJ-NLWGTHIKSA-N 2 0 360.546 3.069 20 0 FGADRP Cc1nc(COc2ccc(C[NH+]3CCC(CC[NH+](C)C)CC3)cc2)no1 ZINC000092381306 494610632 /nfs/dbraw/zinc/61/06/32/494610632.db2.gz WETSKIJNHKMUSM-UHFFFAOYSA-N 2 0 358.486 3.121 20 0 FGADRP C[C@H]1C[NH+](CC2CC[NH+](Cc3cc(-c4ccccc4)n[nH]3)CC2)C[C@H](C)O1 ZINC000092587603 494678165 /nfs/dbraw/zinc/67/81/65/494678165.db2.gz VLZFYSNBZRTOGO-ROUUACIJSA-N 2 0 368.525 3.398 20 0 FGADRP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccncc2)C1 ZINC000108429104 494705324 /nfs/dbraw/zinc/70/53/24/494705324.db2.gz RUKGHOZHSQVFAD-SFHVURJKSA-N 2 0 361.493 3.366 20 0 FGADRP [NH3+][C@H]1C[C@H]([NH2+]C2CCN(C(=O)CCc3ccccc3)CC2)c2ccccc21 ZINC000577482089 505736821 /nfs/dbraw/zinc/73/68/21/505736821.db2.gz CQNQSEPPXGLZRO-VXKWHMMOSA-N 2 0 363.505 3.345 20 0 FGADRP CCC[NH+](CCC)CCCNC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000126454617 494756595 /nfs/dbraw/zinc/75/65/95/494756595.db2.gz OCNCLUVSYOPGKG-UYAOXDASSA-N 2 0 364.578 3.157 20 0 FGADRP C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)CC(=O)NC1CCCCC1 ZINC000092821252 494763409 /nfs/dbraw/zinc/76/34/09/494763409.db2.gz RMAYYICUKQDCBF-UHFFFAOYSA-N 2 0 358.530 3.069 20 0 FGADRP C[NH+]1CCN(CCC[NH2+][C@H]2CCCOc3cc4c(cc32)CCCC4)CC1 ZINC000126481881 494766879 /nfs/dbraw/zinc/76/68/79/494766879.db2.gz JUGDCKBJNVWSKX-NRFANRHFSA-N 2 0 357.542 3.006 20 0 FGADRP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](CC2CCCCCC2)CC1 ZINC000131896896 494767829 /nfs/dbraw/zinc/76/78/29/494767829.db2.gz FSSZXUJOFZXZON-UHFFFAOYSA-N 2 0 351.579 3.373 20 0 FGADRP [NH3+][C@@H]1CCCC[C@H]1NC(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000574312580 505744174 /nfs/dbraw/zinc/74/41/74/505744174.db2.gz WXWZKWNJICFZBG-WOJBJXKFSA-N 2 0 358.530 3.132 20 0 FGADRP C[C@@H]1C[N@@H+](C2CCN(CC(C)(C)C[NH+](C)Cc3ccccc3)CC2)CCO1 ZINC000092079541 494782576 /nfs/dbraw/zinc/78/25/76/494782576.db2.gz PVLZQBZDGPRRIH-HXUWFJFHSA-N 2 0 373.585 3.330 20 0 FGADRP C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)C1 ZINC000574297375 505741366 /nfs/dbraw/zinc/74/13/66/505741366.db2.gz MNUSQSHRBHJJIU-WIYYLYMNSA-N 2 0 372.557 3.331 20 0 FGADRP CC(C)c1ccc2c(c1)[C@@H]([NH2+]C[C@H](C)CN1CC[NH+](C)CC1)CCCO2 ZINC000126648178 494810569 /nfs/dbraw/zinc/81/05/69/494810569.db2.gz FQCSAGJBQZDBBL-RXVVDRJESA-N 2 0 359.558 3.497 20 0 FGADRP CC(C)[NH2+]C1CCN(C(=O)NC2CC[NH+]([C@H](C)c3ccccc3)CC2)CC1 ZINC000116561147 494816108 /nfs/dbraw/zinc/81/61/08/494816108.db2.gz IGVRVYJYGWEAKE-GOSISDBHSA-N 2 0 372.557 3.384 20 0 FGADRP C[NH+](C)CC[C@H](NC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1)C(C)(C)C ZINC000116566960 494817367 /nfs/dbraw/zinc/81/73/67/494817367.db2.gz SQNFQJZQGNJEQS-ROUUACIJSA-N 2 0 352.567 3.013 20 0 FGADRP C[C@H]([NH2+]Cc1ccc(CN2CC[NH+](C)CC2)cc1)c1ccc2c(c1)OCO2 ZINC000126745717 494831461 /nfs/dbraw/zinc/83/14/61/494831461.db2.gz PZEJEZRHMWMSJG-KRWDZBQOSA-N 2 0 367.493 3.014 20 0 FGADRP CC(C)[C@H](C[NH2+][C@@H]1CC2(CCC2)Oc2ccccc21)N1CC[NH+](C)CC1 ZINC000132511546 494886418 /nfs/dbraw/zinc/88/64/18/494886418.db2.gz QCCAOYRUNUJOJX-UXHICEINSA-N 2 0 357.542 3.295 20 0 FGADRP COc1cc([C@H](C)[NH2+]C[C@H](C(C)C)N2CC[NH+](C)CC2)ccc1SC ZINC000132522143 494887423 /nfs/dbraw/zinc/88/74/23/494887423.db2.gz SKRJNGLXSWBJJK-FUHWJXTLSA-N 2 0 365.587 3.340 20 0 FGADRP C[NH+](C)[C@@H](CNC(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C)c1ccccc1 ZINC000127156352 494902686 /nfs/dbraw/zinc/90/26/86/494902686.db2.gz DROYEBZQQOFWOS-PMACEKPBSA-N 2 0 372.488 3.031 20 0 FGADRP CC[N@H+](Cc1ccc(C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)cc1)C1CC1 ZINC000127223250 494912930 /nfs/dbraw/zinc/91/29/30/494912930.db2.gz RUCYRSGFSGLSBM-LJQANCHMSA-N 2 0 355.526 3.229 20 0 FGADRP CN(C)[C@H](C[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1)c1ccco1 ZINC000132719161 494914566 /nfs/dbraw/zinc/91/45/66/494914566.db2.gz MBWCAXCXVWIXLJ-OAQYLSRUSA-N 2 0 370.541 3.203 20 0 FGADRP CC(C)[NH+](CCNCc1ccccc1N(C)C1CC[NH+](C)CC1)C(C)C ZINC000132743515 494917854 /nfs/dbraw/zinc/91/78/54/494917854.db2.gz BGJJUSWJLAEFSP-UHFFFAOYSA-N 2 0 360.590 3.425 20 0 FGADRP C[C@H]1CCC[N@H+](CCCCNC(=O)NC2CC[NH+](C(C)(C)C)CC2)C1 ZINC000127308113 494925577 /nfs/dbraw/zinc/92/55/77/494925577.db2.gz MUMSTXLFGALRGK-KRWDZBQOSA-N 2 0 352.567 3.061 20 0 FGADRP COc1cccc(C[C@@H]([NH2+]C[C@@H](C)N2CC[NH+](C)CC2)c2ccccc2)c1 ZINC000127415406 494941587 /nfs/dbraw/zinc/94/15/87/494941587.db2.gz QRDWHYJSYYLUAY-AUSIDOKSSA-N 2 0 367.537 3.205 20 0 FGADRP CC(C)[C@@H](C[NH2+][C@H](C)CC(=O)Nc1cccnc1Cl)[NH+]1CCCC1 ZINC000132950573 494947141 /nfs/dbraw/zinc/94/71/41/494947141.db2.gz OPPXJNJDTIPCMB-GDBMZVCRSA-N 2 0 352.910 3.162 20 0 FGADRP C[C@@H]1C[C@H](NC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)C[N@@H+]1C1CC1 ZINC000127460146 494947876 /nfs/dbraw/zinc/94/78/76/494947876.db2.gz DDURJXHYUMWRIL-XLIONFOSSA-N 2 0 370.541 3.097 20 0 FGADRP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](Cc2c[nH]nc2-c2cccc(Cl)c2)CC1 ZINC000580409168 505753323 /nfs/dbraw/zinc/75/33/23/505753323.db2.gz BNRFVKCPLRSSQO-QUCCMNQESA-N 2 0 374.916 3.448 20 0 FGADRP CC(C)[NH+]1CCN(c2cccc(NC(=O)[C@](C)([NH3+])c3ccccc3)c2)CC1 ZINC000571522998 505754153 /nfs/dbraw/zinc/75/41/53/505754153.db2.gz GBWFNWMFTXOTTB-JOCHJYFZSA-N 2 0 366.509 3.030 20 0 FGADRP CCC[NH+]1CCC(C[NH2+][C@H](C)c2nnn(-c3ccc(F)cc3)c2C)CC1 ZINC000122744415 495024393 /nfs/dbraw/zinc/02/43/93/495024393.db2.gz FJBFCHVNYINOHW-OAHLLOKOSA-N 2 0 359.493 3.487 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@H](C)Oc2ccc(F)cc2)[C@H](C)C1 ZINC000128026477 495033264 /nfs/dbraw/zinc/03/32/64/495033264.db2.gz RYINXQQEIJFZGO-HLIPFELVSA-N 2 0 352.494 3.320 20 0 FGADRP CC[NH+](CC)Cc1cccc(CNC(=O)N(C)[C@@H]2CC[N@H+](CC)C[C@H]2C)c1 ZINC000128271227 495071505 /nfs/dbraw/zinc/07/15/05/495071505.db2.gz SPKRYGBVDSHYIV-WIYYLYMNSA-N 2 0 374.573 3.400 20 0 FGADRP C[C@@H]([NH2+]Cc1cccc(C[NH+]2CCCC2)c1)c1ccc(-n2cnnn2)cc1 ZINC000123079054 495077015 /nfs/dbraw/zinc/07/70/15/495077015.db2.gz MUOAEYQDOFOALX-QGZVFWFLSA-N 2 0 362.481 3.109 20 0 FGADRP CN(Cc1ccc(Cl)s1)C(=O)C[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123105971 495081754 /nfs/dbraw/zinc/08/17/54/495081754.db2.gz QNFUKKDMDCPMAK-UHFFFAOYSA-N 2 0 371.978 3.414 20 0 FGADRP COCCC[NH+]1CCC([NH2+][C@@H]2CCc3[nH]c4ccc(OC)cc4c3C2)CC1 ZINC000123196166 495094681 /nfs/dbraw/zinc/09/46/81/495094681.db2.gz ADWLJBQMRQIFIB-QGZVFWFLSA-N 2 0 371.525 3.124 20 0 FGADRP CC(C)CO[C@@H](C)c1noc(CN2CCC(CCC[NH+](C)C)CC2)n1 ZINC000123222460 495098676 /nfs/dbraw/zinc/09/86/76/495098676.db2.gz UVVDKIRZRCYIDR-INIZCTEOSA-N 2 0 352.523 3.357 20 0 FGADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000111801111 495112946 /nfs/dbraw/zinc/11/29/46/495112946.db2.gz RRGJICCCLSBMLC-SJORKVTESA-N 2 0 364.559 3.059 20 0 FGADRP C[N@@H+]1CCCN(CCC[NH2+]C(Cc2ccccc2)Cc2ccccc2)CC1 ZINC000128549598 495114635 /nfs/dbraw/zinc/11/46/35/495114635.db2.gz FUPBVBCHVPSHTE-UHFFFAOYSA-N 2 0 365.565 3.458 20 0 FGADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC[C@@H](C)Cn2ccnc2C)C1 ZINC000111847390 495119907 /nfs/dbraw/zinc/11/99/07/495119907.db2.gz FATMIALSCXDFQC-SJLPKXTDSA-N 2 0 363.550 3.027 20 0 FGADRP C[C@H](NC(=O)NCc1cccc(C[NH+]2CCCC2)c1)C(C)(C)C[NH+](C)C ZINC000119377168 495153939 /nfs/dbraw/zinc/15/39/39/495153939.db2.gz ADLZFOLRDNMLJH-KRWDZBQOSA-N 2 0 360.546 3.058 20 0 FGADRP C[C@H](CNC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1)C[NH+]1CCCC1 ZINC000103308138 495217771 /nfs/dbraw/zinc/21/77/71/495217771.db2.gz JRXJFOAMSDLTLJ-UXHICEINSA-N 2 0 364.578 3.016 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N(C)CC[NH+]2CCCC2)cc1 ZINC000112742434 495233804 /nfs/dbraw/zinc/23/38/04/495233804.db2.gz VWWXBISESKHBNV-LJQANCHMSA-N 2 0 372.557 3.298 20 0 FGADRP CC1CC[NH+](CCCCNC(=O)N2CCC([NH2+]C3CCCC3)CC2)CC1 ZINC000129438450 495245925 /nfs/dbraw/zinc/24/59/25/495245925.db2.gz CLFYVLKKWCPZTR-UHFFFAOYSA-N 2 0 364.578 3.205 20 0 FGADRP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@H](c3ccccc3)[C@H](C)C2)CC1 ZINC000129740235 495288973 /nfs/dbraw/zinc/28/89/73/495288973.db2.gz GRKFBJQSNYRZPH-NQIIRXRSSA-N 2 0 357.542 3.101 20 0 FGADRP Cc1cc(C)c2c(c1)[C@@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)CCCO2 ZINC000124503297 495298511 /nfs/dbraw/zinc/29/85/11/495298511.db2.gz FSTITVMZVLBGRC-NRFANRHFSA-N 2 0 359.558 3.380 20 0 FGADRP CC(=O)Nc1cccc([C@@H](C)[NH2+]CC2(N3CCCCC3)CC[NH+](C)CC2)c1 ZINC000124610427 495315918 /nfs/dbraw/zinc/31/59/18/495315918.db2.gz HNTXMAVQLZDBFT-GOSISDBHSA-N 2 0 372.557 3.246 20 0 FGADRP CC[NH+]1CCC(NC(=O)NCC2([NH2+][C@@H](C)c3ccccc3)CCCC2)CC1 ZINC000113580897 495316865 /nfs/dbraw/zinc/31/68/65/495316865.db2.gz MNVNLFVIDVKQIK-SFHVURJKSA-N 2 0 372.557 3.434 20 0 FGADRP C[C@H]([NH2+]C(C)(C)CNC(=O)N(C)CC1CC[NH+](C)CC1)c1ccccc1 ZINC000113625331 495322728 /nfs/dbraw/zinc/32/27/28/495322728.db2.gz OLDIEBOYNUPYCB-KRWDZBQOSA-N 2 0 360.546 3.099 20 0 FGADRP C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)NCC2CC[NH+](C)CC2)C1 ZINC000105113396 495337368 /nfs/dbraw/zinc/33/73/68/495337368.db2.gz WAKVVRHBTZOUQZ-GOSISDBHSA-N 2 0 372.557 3.060 20 0 FGADRP CC[NH+](CC)Cc1cccc(CNC(=O)NC[C@@H]2CCC[N@H+](CC)C2)c1 ZINC000105118843 495339148 /nfs/dbraw/zinc/33/91/48/495339148.db2.gz NATYEKXVPYVALV-FQEVSTJZSA-N 2 0 360.546 3.060 20 0 FGADRP CC[N@@H+]1CCC[C@H](CNC(=O)NC[C@@H](c2ccc(C)cc2)[NH+]2CCCC2)C1 ZINC000105207654 495345520 /nfs/dbraw/zinc/34/55/20/495345520.db2.gz XUMWZJWITGVEQF-CTNGQTDRSA-N 2 0 372.557 3.163 20 0 FGADRP Brc1ccc2c(c1)[C@H](N[C@@H]1CC[N@@H+]3CCC[C@@H]3C1)CCO2 ZINC000130135163 495346208 /nfs/dbraw/zinc/34/62/08/495346208.db2.gz SMIQQLCUZBINGF-IIAWOOMASA-N 2 0 351.288 3.489 20 0 FGADRP Cc1ccc([C@@H]2CCC[N@H+]2CC(=O)NC2CC[NH+](C(C)C)CC2)cc1C ZINC000114455700 495376811 /nfs/dbraw/zinc/37/68/11/495376811.db2.gz NGLQNCKQFNDOTD-NRFANRHFSA-N 2 0 357.542 3.429 20 0 FGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCc2cnn(-c3ccccc3)c2)[C@H](C)C1 ZINC000130384807 495384153 /nfs/dbraw/zinc/38/41/53/495384153.db2.gz RKCCSVBHQQGBOR-DENIHFKCSA-N 2 0 370.541 3.141 20 0 FGADRP Cc1nn(C)c(C)c1C[C@@H](C)[NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000120571364 495408471 /nfs/dbraw/zinc/40/84/71/495408471.db2.gz AVMVGPUNFZFDMW-CVEARBPZSA-N 2 0 358.530 3.259 20 0 FGADRP Cc1cccc(N2CC[NH+](CCCC[NH2+][C@@H]3C[C@H](C)N(C4CC4)C3)CC2)c1 ZINC000125335079 495427896 /nfs/dbraw/zinc/42/78/96/495427896.db2.gz AXXOWFCCWDLROM-LEWJYISDSA-N 2 0 370.585 3.112 20 0 FGADRP CCCC[NH+]1CCC(NC(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000114827514 495432174 /nfs/dbraw/zinc/43/21/74/495432174.db2.gz ZLBBPLFWWAJUPL-NRFANRHFSA-N 2 0 372.557 3.215 20 0 FGADRP COc1ccc([C@@H](O)C[NH2+][C@@H](C)c2cccc(OCC[NH+](C)C)c2)cc1 ZINC000125402799 495439394 /nfs/dbraw/zinc/43/93/94/495439394.db2.gz KIUMDGQITBSNNN-KKSFZXQISA-N 2 0 358.482 3.020 20 0 FGADRP CCCC[NH+]1CCC(NC(=O)N(CC[NH+](C)C)Cc2cccc(C)c2)CC1 ZINC000114950783 495445515 /nfs/dbraw/zinc/44/55/15/495445515.db2.gz BKEJBYDJAPPAAG-UHFFFAOYSA-N 2 0 374.573 3.333 20 0 FGADRP C[NH+]1CCN(c2ncccc2C[NH2+][C@H]2CC[C@H](c3ccccc3)C2)CC1 ZINC000130803842 495448636 /nfs/dbraw/zinc/44/86/36/495448636.db2.gz VOBVSURKUOWLQU-FPOVZHCZSA-N 2 0 350.510 3.259 20 0 FGADRP CCC(CC)C[NH+]1CCC(C(=O)NCC[N@H+](C)Cc2ccccc2)CC1 ZINC000130910715 495464788 /nfs/dbraw/zinc/46/47/88/495464788.db2.gz KBVYWXBMIWDJAV-UHFFFAOYSA-N 2 0 359.558 3.383 20 0 FGADRP CN(C(=O)c1ccccc1C[NH+](C)C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000580567981 505788472 /nfs/dbraw/zinc/78/84/72/505788472.db2.gz QZENANSKNNHYHR-FQEVSTJZSA-N 2 0 351.494 3.095 20 0 FGADRP Cc1ccc(Cl)c(OC[C@H](O)CN2CCC[C@H]([NH+]3CCCC3)CC2)c1 ZINC000182403899 495550263 /nfs/dbraw/zinc/55/02/63/495550263.db2.gz AWSMYMWUEPEDNS-ZWKOTPCHSA-N 2 0 366.933 3.338 20 0 FGADRP CCCC[NH+]1CCC(NC(=O)NCCCC[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000158665604 495562712 /nfs/dbraw/zinc/56/27/12/495562712.db2.gz UVDSLDFJEMWKIC-SFHVURJKSA-N 2 0 352.567 3.062 20 0 FGADRP C[C@@H](CNC(=O)NC1CC[NH+](C2CCCCC2)CC1)C[NH+]1CCCCC1 ZINC000176248986 495564135 /nfs/dbraw/zinc/56/41/35/495564135.db2.gz XLTHRNIIJMKKOT-SFHVURJKSA-N 2 0 364.578 3.205 20 0 FGADRP CC[C@H]([NH2+]CCCN1CC[NH+](CC)CC1)c1ccccc1OC(F)F ZINC000154301478 495573757 /nfs/dbraw/zinc/57/37/57/495573757.db2.gz SWMGZZQOJDLXJH-KRWDZBQOSA-N 2 0 355.473 3.356 20 0 FGADRP Cc1nc(-c2cccnc2)sc1[C@@H](C)[NH2+]CCCC[NH+]1CCN(C)CC1 ZINC000154396950 495604955 /nfs/dbraw/zinc/60/49/55/495604955.db2.gz FWSXQYVQZTXYQU-MRXNPFEDSA-N 2 0 373.570 3.192 20 0 FGADRP CCSc1cccc(C[NH2+]Cc2cccc(C(=O)NCC[NH+](C)C)c2)c1 ZINC000185511574 495605394 /nfs/dbraw/zinc/60/53/94/495605394.db2.gz TWEWOPRDLLMHIF-UHFFFAOYSA-N 2 0 371.550 3.380 20 0 FGADRP C[C@H]([NH2+]C[C@@]1(CO)C[C@@H]1c1ccccc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000571694785 505792135 /nfs/dbraw/zinc/79/21/35/505792135.db2.gz NUSBOKRYIWMVSE-CDNPAEQRSA-N 2 0 368.521 3.444 20 0 FGADRP COc1cc([C@H](C)[NH2+]CCCC[NH+]2CCN(C)CC2)ccc1SC ZINC000154411811 495607836 /nfs/dbraw/zinc/60/78/36/495607836.db2.gz FLPDIDCVSWVTMP-INIZCTEOSA-N 2 0 351.560 3.095 20 0 FGADRP CCC[N@H+](CC)CCNC(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000176403906 495639032 /nfs/dbraw/zinc/63/90/32/495639032.db2.gz FVOIXTGHTXYXJE-UHFFFAOYSA-N 2 0 360.546 3.024 20 0 FGADRP O=C([C@H]1CCC[N@H+](Cc2ccccc2)C1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000150818163 495644478 /nfs/dbraw/zinc/64/44/78/495644478.db2.gz UQYFJQSNYSKUGF-VXKWHMMOSA-N 2 0 369.553 3.376 20 0 FGADRP O=C(NCCC[NH2+]C1CCCCC1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000176485337 495668065 /nfs/dbraw/zinc/66/80/65/495668065.db2.gz PTFSHFNJGCDWNE-UHFFFAOYSA-N 2 0 364.578 3.395 20 0 FGADRP C[C@@H]([NH2+]CCCOc1ccc2c(c1)OCO2)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185680662 495677424 /nfs/dbraw/zinc/67/74/24/495677424.db2.gz BVOAFKKAHKCWBR-SJORKVTESA-N 2 0 360.498 3.427 20 0 FGADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N(C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000173752387 495677522 /nfs/dbraw/zinc/67/75/22/495677522.db2.gz CYYFHSDNLMZFTH-YLJYHZDGSA-N 2 0 360.546 3.151 20 0 FGADRP COc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000159195104 495682087 /nfs/dbraw/zinc/68/20/87/495682087.db2.gz AEFFNTTVCAYCGP-NRFANRHFSA-N 2 0 366.509 3.009 20 0 FGADRP CN(c1ccccc1C[NH2+]C[C@](C)(O)c1ccsc1)C1CC[NH+](C)CC1 ZINC000150977537 495700036 /nfs/dbraw/zinc/70/00/36/495700036.db2.gz ZJOVISUTERHQIE-NRFANRHFSA-N 2 0 373.566 3.276 20 0 FGADRP Cc1nc(C(C)(C)C)sc1[C@@H](C)[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000150986190 495703731 /nfs/dbraw/zinc/70/37/31/495703731.db2.gz IUVIDUAQNWTJQB-CQSZACIVSA-N 2 0 352.592 3.426 20 0 FGADRP C[C@@H]([NH2+]C[C@H](O)COc1cccc2[nH]ccc21)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185751441 495709911 /nfs/dbraw/zinc/70/99/11/495709911.db2.gz PWGWUPIOVBYTFS-AOIWGVFYSA-N 2 0 371.525 3.150 20 0 FGADRP CCC(CC)(CCO)C[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000151052335 495724190 /nfs/dbraw/zinc/72/41/90/495724190.db2.gz JVALSOXSACXJFD-UHFFFAOYSA-N 2 0 361.574 3.495 20 0 FGADRP C[C@@H](Nc1ccc(N2CCOCC2)cn1)c1cccc(OCC[NH+](C)C)c1 ZINC000182871797 495734568 /nfs/dbraw/zinc/73/45/68/495734568.db2.gz QCROCUGSGXIWCL-QGZVFWFLSA-N 2 0 370.497 3.032 20 0 FGADRP CC(C)[NH+]1CCC(NC(=O)NC(C)(C)C[N@H+](C)Cc2ccccc2)CC1 ZINC000154971831 495790675 /nfs/dbraw/zinc/79/06/75/495790675.db2.gz CVCYKXMUJSBYHB-UHFFFAOYSA-N 2 0 360.546 3.069 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)N1CC[C@@H](C[NH+]2CCCC2)C1)c1ccccc1 ZINC000174118093 495826531 /nfs/dbraw/zinc/82/65/31/495826531.db2.gz PSCVQANIELDCDU-FPOVZHCZSA-N 2 0 372.557 3.197 20 0 FGADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1cc(Cl)ccc1OC(F)F ZINC000155076676 495827350 /nfs/dbraw/zinc/82/73/50/495827350.db2.gz GWOXPXLGJJUDPB-OLZOCXBDSA-N 2 0 361.864 3.228 20 0 FGADRP Cc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(N3CC[NH+](C)CC3)nc1)[C@H](C)C2 ZINC000180061058 495841616 /nfs/dbraw/zinc/84/16/16/495841616.db2.gz AQWRFUZZUNHPAL-VGSWGCGISA-N 2 0 350.510 3.165 20 0 FGADRP CC[C@@H]([NH2+][C@H](C)CN1CC[NH+](C)CC1)c1ccccc1Br ZINC000155146066 495852557 /nfs/dbraw/zinc/85/25/57/495852557.db2.gz DTWGDHXXKPKKOD-RHSMWYFYSA-N 2 0 354.336 3.126 20 0 FGADRP Cc1ccc(CC[NH2+]Cc2c(Cl)cccc2N2CC[NH+](C)CC2)cn1 ZINC000180131842 495871412 /nfs/dbraw/zinc/87/14/12/495871412.db2.gz OMWMOHHCOFJREZ-UHFFFAOYSA-N 2 0 358.917 3.128 20 0 FGADRP COc1ccc(C[NH2+][C@@H](C)c2cccc(OCC[NH+](C)C)c2)cc1OC ZINC000151579483 495884417 /nfs/dbraw/zinc/88/44/17/495884417.db2.gz MXPQVENKJPTCBU-INIZCTEOSA-N 2 0 358.482 3.495 20 0 FGADRP C[C@H]1C[C@@H]([NH2+]CCC(=O)NC2CCCCC2)CCN1Cc1ccccc1 ZINC000580670057 505810336 /nfs/dbraw/zinc/81/03/36/505810336.db2.gz QJDZFQGPJDJYQU-RXVVDRJESA-N 2 0 357.542 3.468 20 0 FGADRP [NH3+]CCOc1ccc(NC(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2)cc1 ZINC000183268836 495908596 /nfs/dbraw/zinc/90/85/96/495908596.db2.gz NMXRCYGFNWIVIW-HXUWFJFHSA-N 2 0 353.466 3.017 20 0 FGADRP C[N@H+](CCNC(=O)c1cccc(C[NH+]2CCCC2)c1)Cc1ccc(F)cc1 ZINC000177077620 495914446 /nfs/dbraw/zinc/91/44/46/495914446.db2.gz LXDZPPNOJVMERJ-UHFFFAOYSA-N 2 0 369.484 3.283 20 0 FGADRP Cc1ccccc1[C@@H](CN1CCOCC1)[NH2+]Cc1ccc(C[NH+](C)C)cc1 ZINC000183308596 495925571 /nfs/dbraw/zinc/92/55/71/495925571.db2.gz CEBDNLONGDSZLJ-HSZRJFAPSA-N 2 0 367.537 3.220 20 0 FGADRP COc1ccc([C@H](C)[NH2+]C2CC[NH+](C(C)C)CC2)cc1Cn1cccn1 ZINC000180404272 495982982 /nfs/dbraw/zinc/98/29/82/495982982.db2.gz LYFNYCUYPNOJOC-KRWDZBQOSA-N 2 0 356.514 3.463 20 0 FGADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H]2CCCOc3ccc(Cl)cc32)CC1 ZINC000155571266 495999277 /nfs/dbraw/zinc/99/92/77/495999277.db2.gz ZKWBRZZSPDYBHR-CRAIPNDOSA-N 2 0 351.922 3.169 20 0 FGADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]CCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000183499018 496010966 /nfs/dbraw/zinc/01/09/66/496010966.db2.gz QGPDSEIUNZTAOV-XQBPLPMBSA-N 3 0 359.558 3.022 20 0 FGADRP C[N@@H+]1CCN(C(=O)c2cccc(C[NH+]3CCCC3)c2)C2(CCCCC2)C1 ZINC000174571739 496015584 /nfs/dbraw/zinc/01/55/84/496015584.db2.gz DDBPKXSJHUWPHY-UHFFFAOYSA-N 2 0 355.526 3.373 20 0 FGADRP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)c1ccc(Br)cc1 ZINC000177322443 496017440 /nfs/dbraw/zinc/01/74/40/496017440.db2.gz LNTNPLHDYMPVPY-RHSMWYFYSA-N 2 0 355.320 3.337 20 0 FGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+]Cc2ccc(-c3ccc(F)cc3)o2)CC1 ZINC000171764660 496027109 /nfs/dbraw/zinc/02/71/09/496027109.db2.gz ZXJGISLYTVLDJS-QGZVFWFLSA-N 2 0 359.489 3.449 20 0 FGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCc2nc(CC)c(C)s2)[C@@H](C)C1 ZINC000155689514 496037123 /nfs/dbraw/zinc/03/71/23/496037123.db2.gz GYKGOAWKNQBMRX-MAUKXSAKSA-N 2 0 353.576 3.283 20 0 FGADRP CC(C)c1ccccc1NC(=O)C[C@H](C)[NH2+][C@H](C)CCN1CC[NH+](C)CC1 ZINC000186572625 496050826 /nfs/dbraw/zinc/05/08/26/496050826.db2.gz DIFYEFNOIUICTQ-MOPGFXCFSA-N 2 0 374.573 3.143 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)[C@H]([NH3+])C1CCC1)c1ccc(C(F)(F)F)cc1 ZINC000580711936 505820836 /nfs/dbraw/zinc/82/08/36/505820836.db2.gz RAHKRICDPGLTBF-IAGOWNOFSA-N 2 0 371.447 3.332 20 0 FGADRP CC(C)[N@H+](C)Cc1cccc(CNC(=O)c2ccnc(-n3ccnc3)c2)c1 ZINC000171852694 496063355 /nfs/dbraw/zinc/06/33/55/496063355.db2.gz LCJQTNFEJPRYOX-UHFFFAOYSA-N 2 0 363.465 3.038 20 0 FGADRP C[C@H]1C[NH+](CCC2CC[NH+](CCCCCn3cccn3)CC2)C[C@H](C)O1 ZINC000177489760 496083320 /nfs/dbraw/zinc/08/33/20/496083320.db2.gz CGOUIKPAVVFJNS-PMACEKPBSA-N 2 0 362.562 3.265 20 0 FGADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]C1CCN(Cc2coc(-c3ccccc3)n2)CC1 ZINC000568974458 505822713 /nfs/dbraw/zinc/82/27/13/505822713.db2.gz ZCKZSJHKSTXREB-NQIIRXRSSA-N 2 0 368.525 3.413 20 0 FGADRP C[NH+](C)CCOc1cc(C[NH2+]CC2CCC(C(F)(F)F)CC2)ccn1 ZINC000183757605 496105637 /nfs/dbraw/zinc/10/56/37/496105637.db2.gz QMUZDHBVSTUCSQ-UHFFFAOYSA-N 2 0 359.436 3.480 20 0 FGADRP CC[C@@H]([NH2+]CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)c1ccc(OC)cc1 ZINC000180772017 496140120 /nfs/dbraw/zinc/14/01/20/496140120.db2.gz QEGXQUTVRZGZPY-RTWAWAEBSA-N 2 0 369.509 3.155 20 0 FGADRP CCn1cc([C@H](C)[NH2+]CCCC[NH+]2CCN(c3ccccc3)CC2)cn1 ZINC000156081053 496152409 /nfs/dbraw/zinc/15/24/09/496152409.db2.gz PEIJWZFYCQKWKM-IBGZPJMESA-N 2 0 355.530 3.156 20 0 FGADRP CC(C)C[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)c1ccccn1 ZINC000177825759 496212591 /nfs/dbraw/zinc/21/25/91/496212591.db2.gz MJSGHGOVPSLOEH-FQEVSTJZSA-N 2 0 353.514 3.105 20 0 FGADRP C[C@H]([NH2+]CCCN1CC[N@H+](C)C[C@@H]1c1ccccc1)C1CCSCC1 ZINC000186990574 496243024 /nfs/dbraw/zinc/24/30/24/496243024.db2.gz QCXCALBGDMPHQR-GHTZIAJQSA-N 2 0 361.599 3.487 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccc3c(c2)OCCCO3)[C@H](C)C1 ZINC000161860535 496251337 /nfs/dbraw/zinc/25/13/37/496251337.db2.gz KRVACCFQBPHQTD-MJGOQNOKSA-N 2 0 362.514 3.075 20 0 FGADRP Cc1nc(C)c([C@@H](C)[NH2+]CC2(N3CCCCC3)CC[NH+](C)CC2)s1 ZINC000177983160 496275482 /nfs/dbraw/zinc/27/54/82/496275482.db2.gz INUKSKJOOPITNV-OAHLLOKOSA-N 2 0 350.576 3.361 20 0 FGADRP CCS(=O)(=O)c1c(Cl)cccc1CNCCC[N@@H+]1CCCC[C@H]1C ZINC000187101358 496293398 /nfs/dbraw/zinc/29/33/98/496293398.db2.gz SBEHFAQMKVKFCF-OAHLLOKOSA-N 2 0 372.962 3.488 20 0 FGADRP C[C@@H](CCc1ccc2c(c1)OCO2)[NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000178036201 496298087 /nfs/dbraw/zinc/29/80/87/496298087.db2.gz FWNPXHASBVRQIM-OKZBNKHCSA-N 2 0 362.514 3.215 20 0 FGADRP O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000178075607 496317735 /nfs/dbraw/zinc/31/77/35/496317735.db2.gz QOWMSJDRMPUPQJ-HKUYNNGSSA-N 2 0 359.514 3.187 20 0 FGADRP CCCOc1ccc([C@H](C)[NH2+]Cc2ccnc(N3CC[NH+](C)CC3)c2)cc1 ZINC000178120555 496337414 /nfs/dbraw/zinc/33/74/14/496337414.db2.gz LYGCBCAFNRBJOP-SFHVURJKSA-N 2 0 368.525 3.473 20 0 FGADRP COc1cc([C@H](C)[NH2+]Cc2ccc(CN3CC[NH+](C)CC3)cc2)ccc1F ZINC000153080725 496346849 /nfs/dbraw/zinc/34/68/49/496346849.db2.gz NIAYNGAEPQZUPS-KRWDZBQOSA-N 2 0 371.500 3.433 20 0 FGADRP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]Cc1ccnc(N2CCCCC2)c1 ZINC000162455342 496356164 /nfs/dbraw/zinc/35/61/64/496356164.db2.gz KLQOTHZFYOZJEG-GIVPXCGWSA-N 2 0 372.557 3.051 20 0 FGADRP C[NH+]1CCN(CCC[NH2+][C@H](Cc2cccc(F)c2)c2cccc(F)c2)CC1 ZINC000162488005 496360363 /nfs/dbraw/zinc/36/03/63/496360363.db2.gz OKMZJLZNODMGKP-JOCHJYFZSA-N 2 0 373.491 3.476 20 0 FGADRP COc1ccc(C(=O)Nc2cccc(CN3CC[C@@H]([NH3+])C[C@H]3C)c2)cc1 ZINC000574700338 505835568 /nfs/dbraw/zinc/83/55/68/505835568.db2.gz NVLZGFXCHLJAGN-CRAIPNDOSA-N 2 0 353.466 3.259 20 0 FGADRP Cc1nn(C)cc1[C@H](C)[NH2+]CCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000178283869 496398902 /nfs/dbraw/zinc/39/89/02/496398902.db2.gz BSSUWDSZTNGVTN-SFHVURJKSA-N 2 0 370.541 3.450 20 0 FGADRP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1)c1ccc2c(c1)CCO2 ZINC000178306474 496406460 /nfs/dbraw/zinc/40/64/60/496406460.db2.gz VDBWISHPIDCFGH-QGZVFWFLSA-N 2 0 366.505 3.429 20 0 FGADRP COc1ccccc1[C@H](C)NC(=O)[C@H](C)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157166948 496420368 /nfs/dbraw/zinc/42/03/68/496420368.db2.gz KGFLXBHJZDNLTP-FHWLQOOXSA-N 2 0 373.541 3.211 20 0 FGADRP C[N@@H+]1CCC[C@@H]1CC[NH2+]C(C)(C)COc1ncccc1Br ZINC000181518487 496429826 /nfs/dbraw/zinc/42/98/26/496429826.db2.gz OQLOBCVGXFALBK-CYBMUJFWSA-N 2 0 356.308 3.075 20 0 FGADRP COc1ccc(NC(=O)CC[N@@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)cc1 ZINC000172809487 496441213 /nfs/dbraw/zinc/44/12/13/496441213.db2.gz LSWLVLWJOMHOFW-IBGZPJMESA-N 2 0 373.541 3.468 20 0 FGADRP COc1ccccc1[C@H](O)C[NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000178443651 496459133 /nfs/dbraw/zinc/45/91/33/496459133.db2.gz HHICXLQXQOGKNG-OXJNMPFZSA-N 2 0 358.482 3.020 20 0 FGADRP CC1(C(=O)N2CC[NH+](C3CCCC3)CC2)CC[NH+](Cc2ccccc2)CC1 ZINC000184636874 496474291 /nfs/dbraw/zinc/47/42/91/496474291.db2.gz LJRQYNBQFXSXEQ-UHFFFAOYSA-N 2 0 369.553 3.376 20 0 FGADRP CN(CC1CC[NH+](C)CC1)C(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000163208975 496481029 /nfs/dbraw/zinc/48/10/29/496481029.db2.gz ZLKKECRDKWAKPL-UHFFFAOYSA-N 2 0 357.542 3.089 20 0 FGADRP C[C@H]([NH2+][C@@H](C)C1CCCC1)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000184654812 496481200 /nfs/dbraw/zinc/48/12/00/496481200.db2.gz SUNVPILBESMJIK-ROUUACIJSA-N 2 0 357.542 3.324 20 0 FGADRP C[NH+](C)[C@H]1CCc2cc(NC(=O)NC[C@@H]3[NH2+]CCc4ccccc43)ccc21 ZINC000569083643 505848365 /nfs/dbraw/zinc/84/83/65/505848365.db2.gz HBVXJKWCMKQYTO-SFTDATJTSA-N 2 0 364.493 3.244 20 0 FGADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000163317505 496497908 /nfs/dbraw/zinc/49/79/08/496497908.db2.gz SWXYOGLPPYDXCU-MRXNPFEDSA-N 2 0 356.436 3.097 20 0 FGADRP CCCN(C(=O)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1)C1CC[NH2+]CC1 ZINC000163347045 496502476 /nfs/dbraw/zinc/50/24/76/496502476.db2.gz QFTFSKOZRYQWSD-SFHVURJKSA-N 2 0 361.505 3.028 20 0 FGADRP Cc1ccccc1C[NH+]1CCC(NC(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000175730040 496518528 /nfs/dbraw/zinc/51/85/28/496518528.db2.gz ATHQMKGHXVMGSW-RTWAWAEBSA-N 2 0 372.557 3.131 20 0 FGADRP C[N@@H+]1CCC[C@H](CNC(=O)NC[C@@H]([NH3+])c2ccccc2)[C@@H]1c1cccs1 ZINC000569085753 505849092 /nfs/dbraw/zinc/84/90/92/505849092.db2.gz UJWREMVDHCDCEB-ZHALLVOQSA-N 2 0 372.538 3.130 20 0 FGADRP C[NH+](C)CC1CCC(NC(=O)NC2CC[NH+](CC3CCCC3)CC2)CC1 ZINC000178649994 496528806 /nfs/dbraw/zinc/52/88/06/496528806.db2.gz QWAWPMRTPWRWNB-UHFFFAOYSA-N 2 0 364.578 3.061 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1)c1ccsc1 ZINC000175770722 496538442 /nfs/dbraw/zinc/53/84/42/496538442.db2.gz KAVBJNBAUZAEBT-FGTMMUONSA-N 2 0 366.575 3.303 20 0 FGADRP CCO[C@@H]1C[C@H]([NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)C12CCCCC2 ZINC000181775613 496539750 /nfs/dbraw/zinc/53/97/50/496539750.db2.gz NXBAUEMWBHVTOS-YSIASYRMSA-N 2 0 350.547 3.205 20 0 FGADRP C[NH+]1CCN(c2ccc(C[NH2+][C@H]3CC[C@@](C)(c4ccccc4)C3)cn2)CC1 ZINC000187742189 496553380 /nfs/dbraw/zinc/55/33/80/496553380.db2.gz YBTWPGDTFANYON-JTHBVZDNSA-N 2 0 364.537 3.433 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000163815998 496560851 /nfs/dbraw/zinc/56/08/51/496560851.db2.gz LYOYPMLDEKPKHI-APWZRJJASA-N 2 0 372.557 3.115 20 0 FGADRP CC[C@H]1CN(C(=O)C2CC[NH+](C(C)C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000184914728 496582929 /nfs/dbraw/zinc/58/29/29/496582929.db2.gz SBARRCSNKBQRGN-NRFANRHFSA-N 2 0 357.542 3.230 20 0 FGADRP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@H](C)C1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000157929487 496589038 /nfs/dbraw/zinc/58/90/38/496589038.db2.gz VTGZSGKJIBKXQT-HOTGVXAUSA-N 2 0 370.534 3.392 20 0 FGADRP CC[NH+](CC)CCCC1CCN(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000571952055 505854009 /nfs/dbraw/zinc/85/40/09/505854009.db2.gz BLBMPDGXBBHFCW-VQTJNVASSA-N 2 0 364.578 3.157 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)C[C@H](C)C1CC[NH2+]CC1)c1ccsc1 ZINC000164904534 496638981 /nfs/dbraw/zinc/63/89/81/496638981.db2.gz LSMXVTHATLYIHQ-MAUKXSAKSA-N 2 0 351.560 3.273 20 0 FGADRP C[C@H](NC(=O)NCC1(C[NH+](C)C)CCCC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185060822 496641921 /nfs/dbraw/zinc/64/19/21/496641921.db2.gz JBFLBCNSIIQXQP-ZWKOTPCHSA-N 2 0 364.578 3.061 20 0 FGADRP CC1CC[NH+]([C@H](CNC(=O)[C@@H]([NH3+])Cc2ccccc2)c2ccccc2)CC1 ZINC000165725328 496666292 /nfs/dbraw/zinc/66/62/92/496666292.db2.gz ATEKFWGIOLNENR-FCHUYYIVSA-N 2 0 365.521 3.146 20 0 FGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H](C)c2cccc(Br)c2)CC1 ZINC000173385378 496669226 /nfs/dbraw/zinc/66/92/26/496669226.db2.gz UBCQHQZEKPXXPJ-HZPDHXFCSA-N 2 0 368.363 3.373 20 0 FGADRP C[C@@H]([NH2+]CCCN1CCC[N@H+](C)CC1)c1cccc(Br)c1 ZINC000173391480 496672724 /nfs/dbraw/zinc/67/27/24/496672724.db2.gz GMPYKDNIURNOAN-OAHLLOKOSA-N 2 0 354.336 3.127 20 0 FGADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H](C)c1cnn(-c2ccc(F)cc2)c1C ZINC000165973217 496674269 /nfs/dbraw/zinc/67/42/69/496674269.db2.gz TWMBCZXPNFWNBF-KXBFYZLASA-N 2 0 362.493 3.327 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)[C@@H](C)C[NH2+]C)c1ccc(C(F)(F)F)cc1 ZINC000166245230 496680704 /nfs/dbraw/zinc/68/07/04/496680704.db2.gz ZKLOQLPJIZZFLW-XJKSGUPXSA-N 2 0 359.436 3.060 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)[C@H](C)C[NH2+]C)c1ccc(C(F)(F)F)cc1 ZINC000166245434 496680836 /nfs/dbraw/zinc/68/08/36/496680836.db2.gz ZKLOQLPJIZZFLW-CZUORRHYSA-N 2 0 359.436 3.060 20 0 FGADRP CC[C@H](C(=O)N1CCC([NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1)c1ccccc1 ZINC000166414937 496686082 /nfs/dbraw/zinc/68/60/82/496686082.db2.gz LRJUBHXYLGRACW-BDTNDASRSA-N 2 0 369.553 3.388 20 0 FGADRP C[C@H](CC(=O)Nc1cccc(N2CCCC2)c1)[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000166445111 496687080 /nfs/dbraw/zinc/68/70/80/496687080.db2.gz AMLNBXHDIKTKSJ-SLYNCCJLSA-N 2 0 370.541 3.220 20 0 FGADRP COc1cc(Cl)c(C)cc1NC(=O)CC[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000166768030 496692125 /nfs/dbraw/zinc/69/21/25/496692125.db2.gz QRADJZPRUZVCJG-HUUCEWRRSA-N 2 0 365.905 3.202 20 0 FGADRP C[C@@H](Cc1ccc(Br)cc1)[NH2+]CCCC[NH+]1CCOCC1 ZINC000188126553 496694053 /nfs/dbraw/zinc/69/40/53/496694053.db2.gz KQQRBOIUCIABAI-HNNXBMFYSA-N 2 0 355.320 3.082 20 0 FGADRP CC[C@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)c1ccc2c(c1)CCO2 ZINC000158461683 496707142 /nfs/dbraw/zinc/70/71/42/496707142.db2.gz WADGEVYAOHSKME-FQEVSTJZSA-N 2 0 366.509 3.009 20 0 FGADRP [NH3+]C[C@H]1C[N@H+](Cc2ccccc2Oc2cccnc2)CC12CCOCC2 ZINC000574814218 505861368 /nfs/dbraw/zinc/86/13/68/505861368.db2.gz DOHQUENGZLDFSV-SFHVURJKSA-N 2 0 353.466 3.061 20 0 FGADRP CC(C)O[C@H]1C[C@H]([NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)C1(C)C ZINC000185235158 496713084 /nfs/dbraw/zinc/71/30/84/496713084.db2.gz UYGLZCYLJPXGRS-SFTDATJTSA-N 2 0 360.542 3.325 20 0 FGADRP C[C@@H]([NH2+]CCCC[NH+]1CCN(CCO)CC1)c1cccc(Cl)c1Cl ZINC000168898262 496713168 /nfs/dbraw/zinc/71/31/68/496713168.db2.gz FJDDSBSKBLUWPN-OAHLLOKOSA-N 2 0 374.356 3.034 20 0 FGADRP CC[NH+](CC)Cc1ccc(CNC(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)cc1 ZINC000182252946 496720366 /nfs/dbraw/zinc/72/03/66/496720366.db2.gz FFPPJENXBFMHGQ-SFTDATJTSA-N 2 0 372.557 3.154 20 0 FGADRP C[NH+]1CCN(c2ccc(C[NH2+][C@H]3CCCc4cc(F)ccc43)cn2)CC1 ZINC000182309635 496729060 /nfs/dbraw/zinc/72/90/60/496729060.db2.gz GECXSKCONKPCFR-FQEVSTJZSA-N 2 0 354.473 3.140 20 0 FGADRP CC(C)[NH+](CCNC(=O)N[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)C(C)C ZINC000182352421 496731009 /nfs/dbraw/zinc/73/10/09/496731009.db2.gz BNRDQUGKYKESNK-MSOLQXFVSA-N 2 0 352.567 3.057 20 0 FGADRP CC[S@](=O)[C@@H]1CCC[C@@H]([NH2+][C@H](C)c2cccc(OCC[NH+](C)C)c2)C1 ZINC000247004116 496748502 /nfs/dbraw/zinc/74/85/02/496748502.db2.gz KAZLIBACXNTVAT-XYMVCZMASA-N 2 0 366.571 3.357 20 0 FGADRP C[C@H](CC(=O)Nc1ccc(F)cc1)[NH2+]CCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000247019928 496753865 /nfs/dbraw/zinc/75/38/65/496753865.db2.gz MUVQGGHLJLQJAA-IKGGRYGDSA-N 2 0 365.493 3.022 20 0 FGADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCc1nnc2n1CCCCC2 ZINC000268748618 496772942 /nfs/dbraw/zinc/77/29/42/496772942.db2.gz ISLSTFOLDCLMII-AZUAARDMSA-N 2 0 367.541 3.047 20 0 FGADRP CCn1cc([C@H](C)[NH2+]Cc2ccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc2)cn1 ZINC000247088037 496776412 /nfs/dbraw/zinc/77/64/12/496776412.db2.gz PFHARKOCGOXPET-BZSNNMDCSA-N 2 0 356.514 3.363 20 0 FGADRP C[C@@H]1CCC[N@H+](CCCC[NH2+][C@H]2CCN(Cc3ccccn3)C[C@@H]2C)C1 ZINC000247101285 496779041 /nfs/dbraw/zinc/77/90/41/496779041.db2.gz QAUWMOKYRCNHDC-URVUXULASA-N 2 0 358.574 3.394 20 0 FGADRP Cc1ncc([C@@H](C)[NH2+]CCCC[NH+]2CCN(c3ccccc3)CC2)c(C)n1 ZINC000268804093 496791105 /nfs/dbraw/zinc/79/11/05/496791105.db2.gz LORASQAIQJWHMK-GOSISDBHSA-N 2 0 367.541 3.346 20 0 FGADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CCn3cccc3[C@H]2c2ccccc2)CC1 ZINC000191560889 496812922 /nfs/dbraw/zinc/81/29/22/496812922.db2.gz NDHZDBUUMBCFDI-HSZRJFAPSA-N 2 0 366.553 3.309 20 0 FGADRP CCN(CCC[NH+](C)C)C(=O)NCc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000188586038 496841909 /nfs/dbraw/zinc/84/19/09/496841909.db2.gz UFPXVFUWWOMQRO-IBGZPJMESA-N 2 0 374.573 3.402 20 0 FGADRP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000247353374 496843283 /nfs/dbraw/zinc/84/32/83/496843283.db2.gz LQSURGKQWZSVJM-NQIIRXRSSA-N 2 0 372.557 3.194 20 0 FGADRP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+]2C[C@H](C)CC[C@H]2C)CC1 ZINC000247491375 496871159 /nfs/dbraw/zinc/87/11/59/496871159.db2.gz KZASVHWUGLJGDY-IEBWSBKVSA-N 2 0 357.542 3.196 20 0 FGADRP C[C@H](C(=O)Nc1nc2ccccc2s1)N1CC[C@@H](C)[C@H](n2ccnc2)C1 ZINC000247536764 496882743 /nfs/dbraw/zinc/88/27/43/496882743.db2.gz JULSAARRJYKMRV-IIAWOOMASA-N 2 0 369.494 3.403 20 0 FGADRP CC[NH+](CCCCCC[N@@H+](CC)Cc1cnn(C)c1)Cc1cnn(C)c1 ZINC000264367005 496883040 /nfs/dbraw/zinc/88/30/40/496883040.db2.gz WEBOROLOZCFDMW-UHFFFAOYSA-N 2 0 360.550 3.058 20 0 FGADRP COc1cc(Br)c(C[NH2+]CCCn2ccnc2C)c(OC)c1 ZINC000269168892 496885073 /nfs/dbraw/zinc/88/50/73/496885073.db2.gz XZXXKLJJRYWHGF-UHFFFAOYSA-N 2 0 368.275 3.151 20 0 FGADRP C[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)[C@@H]([NH3+])c1ccccc1 ZINC000269258902 496905709 /nfs/dbraw/zinc/90/57/09/496905709.db2.gz LKYRCCYUMRGBNK-JZZBYWGLSA-N 2 0 365.521 3.349 20 0 FGADRP C[NH2+]Cc1ccccc1NC(=O)N1CCC(c2ncc3n2CCCC3)CC1 ZINC000580940809 505873347 /nfs/dbraw/zinc/87/33/47/505873347.db2.gz QTTQHUMRZGZACS-UHFFFAOYSA-N 2 0 367.497 3.350 20 0 FGADRP COc1ccc([C@@H](C[NH3+])C[NH+]2CCC(c3nc4ccccc4[nH]3)CC2)cc1 ZINC000574881376 505874977 /nfs/dbraw/zinc/87/49/77/505874977.db2.gz UOMZRFNGLAUSCL-SFHVURJKSA-N 2 0 364.493 3.493 20 0 FGADRP CC(C)[C@H](CNC(=O)N[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)[NH+]1CCCC1 ZINC000248393787 496992582 /nfs/dbraw/zinc/99/25/82/496992582.db2.gz FCDLEITZFMUFCL-HBFSDRIKSA-N 2 0 364.578 3.059 20 0 FGADRP CC(C)CO[C@@H]1C[C@@H]([NH2+]Cc2ccccc2C[N@@H+]2CC[C@@H](O)C2)C1(C)C ZINC000248436669 497011416 /nfs/dbraw/zinc/01/14/16/497011416.db2.gz GKMHBVQJGOYVIM-NJDAHSKKSA-N 2 0 360.542 3.183 20 0 FGADRP CCN1CC[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H](O)COc1ccccc1C(F)(F)F ZINC000248446344 497014353 /nfs/dbraw/zinc/01/43/53/497014353.db2.gz GXEOTIRUXXLEJP-OWCLPIDISA-N 2 0 372.431 3.004 20 0 FGADRP CCO[C@@H]1C[C@@H]([NH2+]Cc2ccccc2C[N@@H+]2CC[C@@H](O)C2)C12CCCC2 ZINC000248459068 497019197 /nfs/dbraw/zinc/01/91/97/497019197.db2.gz VJMVUIVUKALUPW-NJDAHSKKSA-N 2 0 358.526 3.081 20 0 FGADRP c1c(C[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)c(-c2ccncc2)nn1-c1ccccc1 ZINC000574904539 505880373 /nfs/dbraw/zinc/88/03/73/505880373.db2.gz BIOYQLGWDPXZKZ-FCHUYYIVSA-N 2 0 373.504 3.412 20 0 FGADRP CCN1CC[C@H](C[NH2+][C@H]2CCCC[C@H]2S(=O)(=O)c2ccc(C)cc2)C1 ZINC000248529356 497030901 /nfs/dbraw/zinc/03/09/01/497030901.db2.gz WSZNJWCULOZPAB-YZGWKJHDSA-N 2 0 364.555 3.011 20 0 FGADRP Cc1nc(F)ccc1C[NH2+]Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000278278802 497060373 /nfs/dbraw/zinc/06/03/73/497060373.db2.gz AUBWMQQPFZQEJK-IYBDPMFKSA-N 2 0 357.473 3.428 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1ccsc1Cl ZINC000189409632 497109726 /nfs/dbraw/zinc/10/97/26/497109726.db2.gz ORCPVCVFGALMFU-ZDUSSCGKSA-N 2 0 358.939 3.281 20 0 FGADRP c1c[nH]c([C@H](NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)c2cccnc2)n1 ZINC000248834813 497113806 /nfs/dbraw/zinc/11/38/06/497113806.db2.gz GIIDOJFQHJKXIV-PZJWPPBQSA-N 2 0 361.493 3.048 20 0 FGADRP CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2C ZINC000248924822 497136509 /nfs/dbraw/zinc/13/65/09/497136509.db2.gz FQPBQNVPVYXARS-QHAWAJNXSA-N 2 0 372.557 3.021 20 0 FGADRP C[NH+](C)CCOc1ccc(NC(=O)[C@](C)([NH3+])c2ccccc2)cc1Cl ZINC000192522471 497138695 /nfs/dbraw/zinc/13/86/95/497138695.db2.gz QQOWANYTPLEVLX-LJQANCHMSA-N 2 0 361.873 3.093 20 0 FGADRP C[C@H]1C[C@@H](NC(=O)[C@](C)([NH3+])c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000192528718 497141565 /nfs/dbraw/zinc/14/15/65/497141565.db2.gz DJRUDMLDWULRNM-RBDMOPTHSA-N 2 0 351.494 3.030 20 0 FGADRP CC(C)[C@H]([NH3+])C(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000236760454 497142435 /nfs/dbraw/zinc/14/24/35/497142435.db2.gz ZZNXWGJCRLANFH-HYVNUMGLSA-N 2 0 371.447 3.188 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)[C@@H]([NH3+])C(C)C)c1ccc(C(F)(F)F)cc1 ZINC000236879130 497161240 /nfs/dbraw/zinc/16/12/40/497161240.db2.gz DYSJPLFCEAZMNQ-CVEARBPZSA-N 2 0 359.436 3.188 20 0 FGADRP CC[NH+](CC)CCOc1ccccc1NC(=O)C[C@H]([NH3+])c1ccccc1 ZINC000236876317 497161625 /nfs/dbraw/zinc/16/16/25/497161625.db2.gz OTGVNBRVJQUIBF-SFHVURJKSA-N 2 0 355.482 3.436 20 0 FGADRP COc1ccc([C@H](CCO)[NH2+][C@@H](C)c2cccc(OCC[NH+](C)C)c2)cc1 ZINC000270627531 497165076 /nfs/dbraw/zinc/16/50/76/497165076.db2.gz LNDQFBYLAQYJQW-JTSKRJEESA-N 2 0 372.509 3.410 20 0 FGADRP C[C@H]([NH2+]Cc1ccc2c(c1)sc(=O)n2C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000192638022 497172069 /nfs/dbraw/zinc/17/20/69/497172069.db2.gz VZWLJPSQNAYGCT-HOCLYGCPSA-N 2 0 359.539 3.343 20 0 FGADRP C[C@@H]([NH2+]Cc1ccc2c(c1)sc(=O)n2C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000192638008 497172194 /nfs/dbraw/zinc/17/21/94/497172194.db2.gz VZWLJPSQNAYGCT-GDBMZVCRSA-N 2 0 359.539 3.343 20 0 FGADRP C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)C2CC[NH2+]CC2)cc1 ZINC000237069130 497187598 /nfs/dbraw/zinc/18/75/98/497187598.db2.gz VZXOAEQAGCAXGH-UHFFFAOYSA-N 2 0 351.494 3.031 20 0 FGADRP C[C@H]([NH2+]CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)[C@@H](C)c1ccccc1 ZINC000249350669 497193371 /nfs/dbraw/zinc/19/33/71/497193371.db2.gz PMVHAKQWOABOCL-LVCYWYKZSA-N 2 0 353.510 3.187 20 0 FGADRP CC[C@@]1(CO)CCC[NH+]1Cc1ccccc1C[N@H+]1CCC[C@@]1(CC)CO ZINC000189671221 497205321 /nfs/dbraw/zinc/20/53/21/497205321.db2.gz WVEGMRVDPPONDS-VXKWHMMOSA-N 2 0 360.542 3.160 20 0 FGADRP CC[NH+](CC)CCOc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)cc1 ZINC000578228047 505892322 /nfs/dbraw/zinc/89/23/22/505892322.db2.gz GISBANHJXOPRQW-BDTNDASRSA-N 2 0 359.558 3.370 20 0 FGADRP C[C@@H]1CCN(C(=O)C[C@@H]([NH3+])c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000237371377 497227444 /nfs/dbraw/zinc/22/74/44/497227444.db2.gz CZAVHICKYMDICK-WIYYLYMNSA-N 2 0 351.494 3.200 20 0 FGADRP FC(F)C(F)(F)COCC[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000189743478 497229592 /nfs/dbraw/zinc/22/95/92/497229592.db2.gz SLJHGMXDOCPOHC-UHFFFAOYSA-N 2 0 354.432 3.491 20 0 FGADRP C[N@H+](CCCN1CC[NH+](C)CC1)Cc1ccc(Br)c(Cl)c1 ZINC000189781723 497242637 /nfs/dbraw/zinc/24/26/37/497242637.db2.gz WEOJXESMDZXILE-UHFFFAOYSA-N 2 0 374.754 3.172 20 0 FGADRP Cn1cc(C[NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c(-c2ccncc2)n1 ZINC000192926283 497248513 /nfs/dbraw/zinc/24/85/13/497248513.db2.gz VPECDKJPVACGPK-IBGZPJMESA-N 2 0 361.493 3.094 20 0 FGADRP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000237519795 497250317 /nfs/dbraw/zinc/25/03/17/497250317.db2.gz NTVPWOREDZDXDW-FYHVPLJZSA-N 2 0 355.526 3.249 20 0 FGADRP C[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)Oc1ccccc1Br ZINC000192931569 497251126 /nfs/dbraw/zinc/25/11/26/497251126.db2.gz AQQJOVHFKJTNAV-FFHGMXDLSA-N 2 0 353.304 3.431 20 0 FGADRP C[C@@H](CC(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1)C1CC[NH2+]CC1 ZINC000237600080 497261563 /nfs/dbraw/zinc/26/15/63/497261563.db2.gz VUBOBVSHXPLKPJ-AWEZNQCLSA-N 2 0 367.921 3.245 20 0 FGADRP CCCn1ccnc1CCCN(C)Cc1nc(Cc2cccc(F)c2)no1 ZINC000278903150 497261712 /nfs/dbraw/zinc/26/17/12/497261712.db2.gz RVSAPQVSSWRIQL-UHFFFAOYSA-N 2 0 371.460 3.471 20 0 FGADRP C[C@@H](C(=O)NCC1CC[NH+](Cc2cccs2)CC1)[C@@H]([NH3+])c1ccccc1 ZINC000237604869 497261887 /nfs/dbraw/zinc/26/18/87/497261887.db2.gz GSTOMNWKNIYANP-OXQOHEQNSA-N 2 0 371.550 3.412 20 0 FGADRP CC(C)[NH2+]CCCNC(=O)NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000574975680 505895337 /nfs/dbraw/zinc/89/53/37/505895337.db2.gz SLAYCTMVVZGRAB-GOSISDBHSA-N 2 0 360.546 3.248 20 0 FGADRP Cc1cccn2cc(COc3ccc(C[NH2+][C@H]4CCCOC4)cc3)nc12 ZINC000237857610 497302662 /nfs/dbraw/zinc/30/26/62/497302662.db2.gz BHRXZZSDMVUOKW-SFHVURJKSA-N 2 0 351.450 3.490 20 0 FGADRP [NH3+]C1(C(=O)N[C@H]2CC[N@H+](Cc3ccc(C(F)(F)F)cc3)C2)CCCCC1 ZINC000237948314 497318374 /nfs/dbraw/zinc/31/83/74/497318374.db2.gz VCYISJJWRWWBNE-INIZCTEOSA-N 2 0 369.431 3.058 20 0 FGADRP [NH3+][C@H](C(=O)NCc1ccccc1C[NH+]1CCCCCC1)c1ccccc1 ZINC000238023609 497329134 /nfs/dbraw/zinc/32/91/34/497329134.db2.gz LNKZMWYKQCSAKL-NRFANRHFSA-N 2 0 351.494 3.379 20 0 FGADRP C[C@@H]1CC[N@H+](CCOc2ccc(NC(=O)C3CC[NH+](C4CC4)CC3)cc2)C1 ZINC000279211250 497369450 /nfs/dbraw/zinc/36/94/50/497369450.db2.gz PDBONUZJQOWGLA-QGZVFWFLSA-N 2 0 371.525 3.220 20 0 FGADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000245392768 497383147 /nfs/dbraw/zinc/38/31/47/497383147.db2.gz URKLHCNEROXYHH-MSOLQXFVSA-N 2 0 364.578 3.061 20 0 FGADRP C[C@H](CNC(=O)NC1CC[NH+](C2CCCCC2)CC1)[N@@H+]1CCC[C@H](C)C1 ZINC000245424959 497397768 /nfs/dbraw/zinc/39/77/68/497397768.db2.gz SQUPBNDXJDYLNM-ZWKOTPCHSA-N 2 0 364.578 3.203 20 0 FGADRP COc1cc([C@H](C)[NH2+]CCCN2CC[N@H+](C)C[C@H]2c2ccccc2)ccn1 ZINC000575007558 505904443 /nfs/dbraw/zinc/90/44/43/505904443.db2.gz FAACFFQGSJHXMG-RXVVDRJESA-N 2 0 368.525 3.120 20 0 FGADRP C[C@@H](NC(=O)CC1(C[NH3+])CCCCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261651693 497427358 /nfs/dbraw/zinc/42/73/58/497427358.db2.gz YIVBCEOZVSIFDL-UYAOXDASSA-N 2 0 357.542 3.313 20 0 FGADRP Cc1cc(N2CCC([NH2+][C@@H](C)[C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)n[nH]1 ZINC000275814950 497438198 /nfs/dbraw/zinc/43/81/98/497438198.db2.gz CZBTZUGGGYZAAZ-ICSRJNTNSA-N 2 0 367.541 3.187 20 0 FGADRP C[C@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)N1CC[C@](C)(C[NH3+])C1 ZINC000261800303 497452614 /nfs/dbraw/zinc/45/26/14/497452614.db2.gz VUHZTQRVVTXACS-MEBBXXQBSA-N 2 0 363.811 3.357 20 0 FGADRP CCC[N@H+](CC)C[C@H](C)NC(=O)N[C@@H](C)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000581105152 505910086 /nfs/dbraw/zinc/91/00/86/505910086.db2.gz OHFQOXMKFDYCAN-IRFCIJBXSA-N 2 0 374.573 3.317 20 0 FGADRP C[N@@H+]1CC[C@H](NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)[C@@H]1c1ccccc1 ZINC000245612342 497474124 /nfs/dbraw/zinc/47/41/24/497474124.db2.gz BXPHPYJJPGRYAX-ROUUACIJSA-N 2 0 358.530 3.040 20 0 FGADRP CCn1ccnc1CN(Cc1ccc(C)c(OC)c1)[C@@H]1CC12CC[NH2+]CC2 ZINC000261914631 497474634 /nfs/dbraw/zinc/47/46/34/497474634.db2.gz JQVCUNKDXOMSGW-HXUWFJFHSA-N 2 0 368.525 3.364 20 0 FGADRP OC1CC[NH+](Cc2ccccc2C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)CC1 ZINC000245619953 497476391 /nfs/dbraw/zinc/47/63/91/497476391.db2.gz NPUGBZSMXLSZNG-BHDDXSALSA-N 2 0 370.537 3.081 20 0 FGADRP C[NH+]1CCN(c2ccc(C[NH2+][C@H](c3ccc(F)cc3)C3CC3)cn2)CC1 ZINC000271884668 497479671 /nfs/dbraw/zinc/47/96/71/497479671.db2.gz UMHJOMFKWROKBI-NRFANRHFSA-N 2 0 354.473 3.213 20 0 FGADRP OC1CC[NH+](Cc2ccc(C[NH2+][C@@H]3[C@@H]4CCO[C@H]4C34CCCC4)cc2)CC1 ZINC000245628600 497480193 /nfs/dbraw/zinc/48/01/93/497480193.db2.gz RLWMDTLXLGEELY-BHDDXSALSA-N 2 0 370.537 3.081 20 0 FGADRP C[C@@H](c1ccc2ccccc2c1)[N@H+](CCC(=O)N1CC[NH2+]CC1)C1CC1 ZINC000261978467 497486506 /nfs/dbraw/zinc/48/65/06/497486506.db2.gz BVCPVCPREFWRGT-KRWDZBQOSA-N 2 0 351.494 3.187 20 0 FGADRP C[NH2+]CCC1CC[NH+](CCC(=O)Nc2cccc(Br)c2)CC1 ZINC000262004466 497491450 /nfs/dbraw/zinc/49/14/50/497491450.db2.gz QZAGGZKHWISZST-UHFFFAOYSA-N 2 0 368.319 3.099 20 0 FGADRP FC(F)(F)c1ccc(C[N@@H+]2CCCN(C[C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC000262003774 497491584 /nfs/dbraw/zinc/49/15/84/497491584.db2.gz UJZWAEHOTHYWMP-QGZVFWFLSA-N 2 0 355.448 3.213 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N[C@@H]1CC[NH+](C)[C@H]1c1ccccc1 ZINC000245665337 497493801 /nfs/dbraw/zinc/49/38/01/497493801.db2.gz QWTPADNXIWIOFR-NRSPTQNISA-N 2 0 372.557 3.386 20 0 FGADRP Fc1cccc(Oc2ccc(C[N@@H+]3CC[C@@H](N4CC[NH2+]CC4)C3)cc2)c1 ZINC000262082874 497506053 /nfs/dbraw/zinc/50/60/53/497506053.db2.gz FOKZHMVXXCHOGN-LJQANCHMSA-N 2 0 355.457 3.098 20 0 FGADRP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(OCc3noc(C)n3)cc2)[C@@H](C)C1 ZINC000245707502 497510570 /nfs/dbraw/zinc/51/05/70/497510570.db2.gz FIVBXEXYYUPLFO-HNAYVOBHSA-N 2 0 358.486 3.119 20 0 FGADRP C[C@@H](C[NH2+][C@@H](C)CCc1ccc(C(F)(F)F)cc1)CN1CC[NH+](C)CC1 ZINC000193981310 497538845 /nfs/dbraw/zinc/53/88/45/497538845.db2.gz LSPABZASFHUBKJ-IRXDYDNUSA-N 2 0 371.491 3.500 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)[C@H]1CC[NH2+][C@@H](C)C1)c1ccccc1Cl ZINC000262393858 497549038 /nfs/dbraw/zinc/54/90/38/497549038.db2.gz NCKYSSAIUGNPSM-MPGHIAIKSA-N 2 0 351.922 3.227 20 0 FGADRP C[C@@H](C[NH2+][C@@H](C)c1cc(Br)cs1)CN1CC[NH+](C)CC1 ZINC000194024568 497550536 /nfs/dbraw/zinc/55/05/36/497550536.db2.gz GKRFPCFKIQLMAX-STQMWFEESA-N 2 0 360.365 3.045 20 0 FGADRP C([NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)[C@H]1CC[C@@H](c2nc(C3CC3)no2)O1 ZINC000569349581 505914267 /nfs/dbraw/zinc/91/42/67/505914267.db2.gz PKAPVBSJMFLQAQ-ZKXLYKBJSA-N 2 0 360.502 3.068 20 0 FGADRP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)[C@H]3CC[NH2+][C@@H](C)C3)cc2)C1 ZINC000262467365 497560850 /nfs/dbraw/zinc/56/08/50/497560850.db2.gz WMVCSGDMOVKKFT-WIRSXHRWSA-N 2 0 357.542 3.169 20 0 FGADRP C[C@H]([NH2+]Cc1ccc(-n2cncn2)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272209563 497565391 /nfs/dbraw/zinc/56/53/91/497565391.db2.gz PXQPGIXQFQDDOF-RXVVDRJESA-N 2 0 361.493 3.268 20 0 FGADRP C[C@@H]([NH2+]Cc1ccc(-n2cncn2)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272209564 497565562 /nfs/dbraw/zinc/56/55/62/497565562.db2.gz PXQPGIXQFQDDOF-WIYYLYMNSA-N 2 0 361.493 3.268 20 0 FGADRP CC(=O)N1CCC[C@H](C[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000279860032 497567752 /nfs/dbraw/zinc/56/77/52/497567752.db2.gz SMWJTAVAQBOAOX-SSGKUCQKSA-N 2 0 369.553 3.135 20 0 FGADRP CN(c1ccccc1C[N@H+](C)C[C@@H]1CCCC[C@H]1O)C1CC[NH+](C)CC1 ZINC000245923964 497572413 /nfs/dbraw/zinc/57/24/13/497572413.db2.gz HJUBYRLHBXQXTD-SIKLNZKXSA-N 2 0 359.558 3.200 20 0 FGADRP C[NH+](Cc1ccc(C[N@H+](C)C[C@H]2CCCOC2)cc1)C[C@H]1CCCOC1 ZINC000245922781 497572864 /nfs/dbraw/zinc/57/28/64/497572864.db2.gz MTWWFCJCTMITPD-FGZHOGPDSA-N 2 0 360.542 3.403 20 0 FGADRP CCCC[NH+]1CCC(NC(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000194125387 497580926 /nfs/dbraw/zinc/58/09/26/497580926.db2.gz NONOHFIJNOFBBL-HXUWFJFHSA-N 2 0 372.557 3.072 20 0 FGADRP CCC(CC)[C@H](CNC(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21)[NH+]1CCCC1 ZINC000245954264 497583192 /nfs/dbraw/zinc/58/31/92/497583192.db2.gz LNVFIKNLDIJZCF-ZCNNSNEGSA-N 2 0 364.578 3.013 20 0 FGADRP C[C@@H]([NH2+]C1(CNC(=O)[C@@H]([NH3+])Cc2ccccc2)CCCC1)c1ccccc1 ZINC000262614810 497584616 /nfs/dbraw/zinc/58/46/16/497584616.db2.gz CLWKECBCNXJQNM-NQIIRXRSSA-N 2 0 365.521 3.336 20 0 FGADRP C[C@H](C(=O)NCc1ccc(C[NH+]2CCCC2)cc1)[C@@H]([NH3+])c1ccccc1 ZINC000262627559 497586479 /nfs/dbraw/zinc/58/64/79/497586479.db2.gz COMNDICWKFMTOP-LAUBAEHRSA-N 2 0 351.494 3.235 20 0 FGADRP C[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)[C@@H]([NH3+])c1ccccc1 ZINC000262648872 497590745 /nfs/dbraw/zinc/59/07/45/497590745.db2.gz PSTHZMKRKNKTOS-GMQQQROESA-N 2 0 365.521 3.492 20 0 FGADRP C[C@@H](C(=O)N1CCC[N@H+](CC2CCCCC2)CC1)[C@H]([NH3+])c1ccccc1 ZINC000262685382 497599539 /nfs/dbraw/zinc/59/95/39/497599539.db2.gz XRQNXYHFOUZVRI-NQIIRXRSSA-N 2 0 357.542 3.437 20 0 FGADRP O[C@@H](Cc1ccc(C(F)(F)F)cc1)C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246059664 497607759 /nfs/dbraw/zinc/60/77/59/497607759.db2.gz ARHIZGAMJDZELS-WMZOPIPTSA-N 2 0 356.432 3.027 20 0 FGADRP C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)C3CC[NH+](C4CC4)CC3)cc2)C1 ZINC000194265377 497618198 /nfs/dbraw/zinc/61/81/98/497618198.db2.gz LXOHZRIWHLMNSV-SFHVURJKSA-N 2 0 369.553 3.409 20 0 FGADRP CCN(CC1CCN(c2ccccn2)CC1)C(=O)[C@@](C)([NH3+])c1ccccc1 ZINC000262774157 497618526 /nfs/dbraw/zinc/61/85/26/497618526.db2.gz JSFWIYVSUXGQBO-QFIPXVFZSA-N 2 0 366.509 3.021 20 0 FGADRP C=Cn1cc(C[NH2+][C@@H](C)c2cc(F)ccc2N2CC[NH+](CC)CC2)cn1 ZINC000194293999 497627611 /nfs/dbraw/zinc/62/76/11/497627611.db2.gz PFUVXGMFVWTWEL-INIZCTEOSA-N 2 0 357.477 3.115 20 0 FGADRP C[C@@H](CCNC(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCCCC1 ZINC000194303680 497629524 /nfs/dbraw/zinc/62/95/24/497629524.db2.gz CTKZCFLBDUBYSO-FPOVZHCZSA-N 2 0 372.557 3.072 20 0 FGADRP CC[C@H](C)[NH2+][C@@H](CNC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)c1ccco1 ZINC000569373301 505919703 /nfs/dbraw/zinc/91/97/03/505919703.db2.gz POCOTVZTOHVYQN-HOCLYGCPSA-N 2 0 364.534 3.317 20 0 FGADRP COc1cccc([C@H](O)C[NH2+][C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000272557243 497662216 /nfs/dbraw/zinc/66/22/16/497662216.db2.gz TZLBUWSBPRRTBG-NQSCKRDGSA-N 2 0 354.494 3.229 20 0 FGADRP Cc1ccc([C@@H](CNC(=O)C2CC[NH+](C3CC3)CC2)[NH+]2CCCC2)cc1 ZINC000194474439 497678570 /nfs/dbraw/zinc/67/85/70/497678570.db2.gz VOZZDAREGZQUGT-OAQYLSRUSA-N 2 0 355.526 3.123 20 0 FGADRP C[C@@H]1C[C@H](NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)CC[N@@H+]1Cc1ccccc1 ZINC000246278437 497681364 /nfs/dbraw/zinc/68/13/64/497681364.db2.gz MHZNEGNRDOVNAB-PPQDBTBKSA-N 2 0 355.526 3.076 20 0 FGADRP C[NH+](C)CCOc1ccc(NC(=O)[C@H]2CCCC[C@]2(C)[NH3+])cc1Cl ZINC000263052675 497692565 /nfs/dbraw/zinc/69/25/65/497692565.db2.gz USGMWQBXBAMVBX-KDOFPFPSSA-N 2 0 353.894 3.127 20 0 FGADRP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccc(C(F)(F)F)cc3C)C2)CC1 ZINC000191066032 497697951 /nfs/dbraw/zinc/69/79/51/497697951.db2.gz IBIIFISJBRAHGF-GOSISDBHSA-N 2 0 355.448 3.226 20 0 FGADRP C[C@@]1(O)CCC[N@H+](Cc2ccccc2C[NH+]2CCC[C@](C)(O)CC2)CC1 ZINC000280257135 497698191 /nfs/dbraw/zinc/69/81/91/497698191.db2.gz XLNAJYIDNMWRSG-SZPZYZBQSA-N 2 0 360.542 3.160 20 0 FGADRP C[NH+](C)CC[C@H](NC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)C(C)(C)C ZINC000246338010 497700169 /nfs/dbraw/zinc/70/01/69/497700169.db2.gz LMJAKCSICAKDOB-UHOSZYNNSA-N 2 0 364.578 3.011 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@H]2CCC[NH+](Cc3ccccc3)C2)[C@H](C)C1 ZINC000246341282 497700991 /nfs/dbraw/zinc/70/09/91/497700991.db2.gz DTAHULUFNHJSSE-GIVPXCGWSA-N 2 0 372.557 3.023 20 0 FGADRP Cc1nn(C)c2ncc(CN3CCC[C@@H](C[N@H+]4CCCC[C@H]4C)C3)cc12 ZINC000246382292 497716170 /nfs/dbraw/zinc/71/61/70/497716170.db2.gz MYEBPHONAGQKNF-SJLPKXTDSA-N 2 0 355.530 3.363 20 0 FGADRP c1ccc(-c2noc([C@@]34CCC[C@@H]3C[N@@H+](CC[C@H]3CC[NH2+]C3)C4)n2)cc1 ZINC000581181900 505928311 /nfs/dbraw/zinc/92/83/11/505928311.db2.gz WFNGYWDOSPPZQP-HGHGUNKESA-N 2 0 352.482 3.090 20 0 FGADRP C[C@H](C[NH+]1CCCCC1)NC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000246442749 497736016 /nfs/dbraw/zinc/73/60/16/497736016.db2.gz IACXPCXCHFMIQT-SFHLNBCPSA-N 2 0 372.557 3.213 20 0 FGADRP C[C@H](C(=O)Nc1ccc(OC(F)F)cc1)N1CCC[C@@H]([NH+](C)C)CC1 ZINC000277107888 497744073 /nfs/dbraw/zinc/74/40/73/497744073.db2.gz GYYLNZBTSUPLLZ-UKRRQHHQSA-N 2 0 355.429 3.031 20 0 FGADRP C[C@H](C(=O)Nc1cccc(C[NH+]2CCSCC2)c1)[NH+]1[C@H](C)CC[C@H]1C ZINC000246537512 497768677 /nfs/dbraw/zinc/76/86/77/497768677.db2.gz XEDRRHBLOWXAAE-BRWVUGGUSA-N 2 0 361.555 3.435 20 0 FGADRP C[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1)c1ccccc1F ZINC000246566586 497776558 /nfs/dbraw/zinc/77/65/58/497776558.db2.gz LJQZWNZCYLIHBX-VQIMIIECSA-N 2 0 369.484 3.374 20 0 FGADRP CCOc1ccc(C2(C[NH2+][C@@H]3C[C@H](C)[N@H+](C)C[C@H]3C)CCOCC2)cc1 ZINC000246812578 497812949 /nfs/dbraw/zinc/81/29/49/497812949.db2.gz AQLOFVHKKCQNFN-LVCYWYKZSA-N 2 0 360.542 3.452 20 0 FGADRP C[C@@H]1CCc2ccccc2N1C(=O)CN1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000246877642 497818119 /nfs/dbraw/zinc/81/81/19/497818119.db2.gz QJRKSHDUODNYSV-QFUCXCTJSA-N 2 0 367.537 3.303 20 0 FGADRP C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000578429649 505937671 /nfs/dbraw/zinc/93/76/71/505937671.db2.gz QQSZEOJFRHBKRD-GUDVDZBRSA-N 2 0 374.529 3.075 20 0 FGADRP Cc1ccc(CNC(=O)[C@H](C)N2CCC(Oc3ccncc3C)CC2)cc1 ZINC000575221300 505945362 /nfs/dbraw/zinc/94/53/62/505945362.db2.gz NYQYGPXRBAOYCG-SFHVURJKSA-N 2 0 367.493 3.247 20 0 FGADRP C[C@H](NC(=O)Nc1ccc2c(c1F)CC[NH2+]C2)[C@H](c1ccccc1)[NH+](C)C ZINC000578502957 505956239 /nfs/dbraw/zinc/95/62/39/505956239.db2.gz WXSFYDBQZISGSI-VBKZILBWSA-N 2 0 370.472 3.284 20 0 FGADRP C[C@H]([NH2+]CCOCC[NH3+])c1nc(-c2ccc(Br)cc2)cs1 ZINC000569576718 505968885 /nfs/dbraw/zinc/96/88/85/505968885.db2.gz CAQYOUSBPSFKCL-NSHDSACASA-N 2 0 370.316 3.199 20 0 FGADRP CN1CC[NH+](CCCC[NH2+]Cc2cc(Cl)ccc2OCC2CC2)CC1 ZINC000578586541 505973943 /nfs/dbraw/zinc/97/39/43/505973943.db2.gz RHGJOSQTTONDJC-UHFFFAOYSA-N 2 0 365.949 3.246 20 0 FGADRP c1nc(C2OCCO2)sc1C[NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000289327027 498106788 /nfs/dbraw/zinc/10/67/88/498106788.db2.gz UJIXZNSFBDROOR-UHFFFAOYSA-N 2 0 373.522 3.464 20 0 FGADRP C[NH+](C)C[C@H]1CCCCN1C(=O)[C@H]1CCn2c(cnc2C2CCCCC2)C1 ZINC000364732083 498118423 /nfs/dbraw/zinc/11/84/23/498118423.db2.gz XAFOWLZTMWOZRL-RBUKOAKNSA-N 2 0 372.557 3.436 20 0 FGADRP CC(C)c1nccn1C[C@H]1CCC[N@@H+]1CCOCC(F)(F)C(F)F ZINC000364936136 498218126 /nfs/dbraw/zinc/21/81/26/498218126.db2.gz IXMHZIRFNXRAED-CYBMUJFWSA-N 2 0 351.388 3.388 20 0 FGADRP C[C@@H]([NH2+]C[C@H](O)COc1ccc(Cl)cc1Cl)C(C)(C)C[NH+](C)C ZINC000569715514 505999947 /nfs/dbraw/zinc/99/99/47/505999947.db2.gz NNVGVUMTHANFQA-OCCSQVGLSA-N 2 0 363.329 3.299 20 0 FGADRP COC(=O)c1csc([C@@H](C)[NH2+]CC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000286212655 498327318 /nfs/dbraw/zinc/32/73/18/498327318.db2.gz SCGWVBSXIWQCDV-CQSZACIVSA-N 2 0 359.495 3.497 20 0 FGADRP O=C(Nc1cccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)c1)[C@H]1CCCO1 ZINC000575795126 506006191 /nfs/dbraw/zinc/00/61/91/506006191.db2.gz VVWHFEXVVOSUSX-XRXFAXGQSA-N 2 0 371.525 3.205 20 0 FGADRP C[C@H](C[NH2+][C@H]1CCCOc2cc(Cl)ccc21)CN1CC[NH+](C)CC1 ZINC000361050743 498338740 /nfs/dbraw/zinc/33/87/40/498338740.db2.gz VTARBEUVICHMFV-QAPCUYQASA-N 2 0 351.922 3.027 20 0 FGADRP Cc1cc([C@@H](C)[NH2+]C[C@H](C)CN2CC[NH+](C)CC2)sc1Br ZINC000286291575 498352426 /nfs/dbraw/zinc/35/24/26/498352426.db2.gz CBKRXQHBPXWPBR-GXTWGEPZSA-N 2 0 374.392 3.353 20 0 FGADRP C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)NC[C@@]2(C)CCC[NH2+]C2)c1 ZINC000575860653 506020545 /nfs/dbraw/zinc/02/05/45/506020545.db2.gz JYHRICKYIBIMBC-QHCPKHFHSA-N 2 0 365.521 3.438 20 0 FGADRP C[C@@H]([NH2+][C@H]1CCCO[C@@H]1c1cnn(C)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000289931872 498356709 /nfs/dbraw/zinc/35/67/09/498356709.db2.gz YYQHILXDSZZQSS-QTPAZIJBSA-N 2 0 368.525 3.140 20 0 FGADRP CCn1ccnc1[C@@H]1CCCCN1C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000282063703 498375315 /nfs/dbraw/zinc/37/53/15/498375315.db2.gz UUHQQZGCNNLGBW-IBGZPJMESA-N 2 0 369.513 3.401 20 0 FGADRP C[C@@H](NC(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1)[C@@H]1CCC[NH2+]C1 ZINC000581596978 506024134 /nfs/dbraw/zinc/02/41/34/506024134.db2.gz RJQJTUNFRGRVSV-GUDVDZBRSA-N 2 0 372.557 3.106 20 0 FGADRP CC(C)NC(=O)Nc1ccc(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000297310583 498400114 /nfs/dbraw/zinc/40/01/14/498400114.db2.gz BRDHQPQBTFQTGJ-UHFFFAOYSA-N 2 0 367.497 3.370 20 0 FGADRP CSC1(C[NH2+]C2CCN(c3ccc(F)cc3F)CC2)CC[NH+](C)CC1 ZINC000569891747 506039363 /nfs/dbraw/zinc/03/93/63/506039363.db2.gz CLHJQIXCXUKYFW-UHFFFAOYSA-N 2 0 369.525 3.351 20 0 FGADRP OC1CC[NH+](Cc2ccccc2C[NH2+][C@@H]2CCCC23CCOCC3)CC1 ZINC000282229698 498432921 /nfs/dbraw/zinc/43/29/21/498432921.db2.gz PHQHYVWAQATLOG-OAQYLSRUSA-N 2 0 358.526 3.082 20 0 FGADRP C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)NC2CC([NH+]3CCCCC3)C2)C1 ZINC000365433050 498464789 /nfs/dbraw/zinc/46/47/89/498464789.db2.gz WNMHJIVSBRLHRM-VCAKUFKGSA-N 2 0 364.578 3.061 20 0 FGADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)N(C)[C@H](c2ncc[nH]2)c2ccccc2)C1 ZINC000297526654 498482003 /nfs/dbraw/zinc/48/20/03/498482003.db2.gz DDNCJSDWNLOOET-MJGOQNOKSA-N 2 0 369.513 3.261 20 0 FGADRP O=C(NCc1ccc2c[nH+]cn2c1)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000297579891 498500236 /nfs/dbraw/zinc/50/02/36/498500236.db2.gz DLXRPEHTGISMMU-LJQANCHMSA-N 2 0 369.513 3.132 20 0 FGADRP COc1ccc(C[NH+]2CCC(C[NH2+][C@H]3C[C@H](C)n4ccnc43)CC2)cc1 ZINC000297657083 498526358 /nfs/dbraw/zinc/52/63/58/498526358.db2.gz KLVLOMZISILZQW-JXFKEZNVSA-N 2 0 354.498 3.399 20 0 FGADRP CCO[C@H](CC[NH+](C)C)C[NH2+]Cc1c(C)nc2scc(C3CC3)n12 ZINC000297700311 498540743 /nfs/dbraw/zinc/54/07/43/498540743.db2.gz QKOQYIWUSIQOPG-OAHLLOKOSA-N 2 0 350.532 3.028 20 0 FGADRP COc1ccc(C[NH+](C)C)cc1NC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC000581735691 506056692 /nfs/dbraw/zinc/05/66/92/506056692.db2.gz ZCILRNNZEVQVJX-UHFFFAOYSA-N 2 0 355.482 3.113 20 0 FGADRP C[NH+](C)CCc1ccccc1NC(=O)N[C@@H](C[NH+](C)C)c1ccc(F)cc1 ZINC000287033566 498599434 /nfs/dbraw/zinc/59/94/34/498599434.db2.gz FVVDXGSHTIMYGE-FQEVSTJZSA-N 2 0 372.488 3.354 20 0 FGADRP C[C@H](CNC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1)[NH+]1CCC[C@@H](C)C1 ZINC000303061324 498644500 /nfs/dbraw/zinc/64/45/00/498644500.db2.gz XOFQEMXJSNCCCK-SBHAEUEKSA-N 2 0 357.542 3.135 20 0 FGADRP CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(OC3CC[NH+](C)CC3)cc2)[C@@H]1SC ZINC000298040213 498645679 /nfs/dbraw/zinc/64/56/79/498645679.db2.gz HGNPLIZLFDMBAU-AQNXPRMDSA-N 2 0 364.555 3.158 20 0 FGADRP Cc1ccc(C[NH+]2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)c(-c2ccnn2C)c1 ZINC000572851341 506067816 /nfs/dbraw/zinc/06/78/16/506067816.db2.gz KLEPEMSKYWFDNV-IRLDBZIGSA-N 2 0 368.525 3.114 20 0 FGADRP CC1CC[NH+](CCc2cccc(NC(=O)N3CC[C@@H](C)[C@@H](C[NH3+])C3)c2)CC1 ZINC000572851362 506067822 /nfs/dbraw/zinc/06/78/22/506067822.db2.gz LTSJCXAAOMPIGJ-QUCCMNQESA-N 2 0 372.557 3.410 20 0 FGADRP C[C@H](CNC(=O)NC[C@@H](c1ccccc1)[NH+]1CCC(C)CC1)[N@H+](C)C1CC1 ZINC000303240093 498657745 /nfs/dbraw/zinc/65/77/45/498657745.db2.gz IZULLISGXOMYNB-NQIIRXRSSA-N 2 0 372.557 3.242 20 0 FGADRP C[C@H]([NH2+]C1(CNC(=O)N2C[C@@H](C)[C@](C)(C[NH3+])C2)CCCC1)c1ccccc1 ZINC000576092489 506075023 /nfs/dbraw/zinc/07/50/23/506075023.db2.gz ZMUHBLHZOXKGGQ-LVCYWYKZSA-N 2 0 372.557 3.276 20 0 FGADRP C[C@@H](NC(=O)[C@H](C)[NH+]1CCC(CC[NH3+])CC1)c1cccc2ccccc21 ZINC000572889250 506076701 /nfs/dbraw/zinc/07/67/01/506076701.db2.gz FVBDGVIZEQMSHD-SJORKVTESA-N 2 0 353.510 3.466 20 0 FGADRP CN(C(=O)CC[C@@H]([NH3+])c1ccccc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000311496204 498751429 /nfs/dbraw/zinc/75/14/29/498751429.db2.gz VSIYOHVPLXRUAO-NHCUHLMSSA-N 2 0 351.494 3.200 20 0 FGADRP [NH3+][C@H](CCC(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000311902125 498756347 /nfs/dbraw/zinc/75/63/47/498756347.db2.gz FYJCGCUVUFWHDX-TZIWHRDSSA-N 2 0 351.494 3.105 20 0 FGADRP COC(=O)c1ccc(C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC000312851485 498764236 /nfs/dbraw/zinc/76/42/36/498764236.db2.gz GHHKCDAJINKJOQ-FCHUYYIVSA-N 2 0 364.489 3.427 20 0 FGADRP Cn1cc([C@H]2[C@@H](C[NH2+][C@@H]3CCCc4ccc(O)cc43)CCCN2C)cn1 ZINC000366081178 498767034 /nfs/dbraw/zinc/76/70/34/498767034.db2.gz ASWAUNAOSSKGFV-MAODMQOUSA-N 2 0 354.498 3.176 20 0 FGADRP FC(F)(F)COc1cc(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)ccn1 ZINC000298444145 498773292 /nfs/dbraw/zinc/77/32/92/498773292.db2.gz NPAVGYCCZHTONC-UHFFFAOYSA-N 2 0 366.387 3.176 20 0 FGADRP CC(C)(C)OC(=O)N1CC[NH+](C2CCC([NH2+]Cc3cccnc3)CC2)CC1 ZINC000291056314 498774880 /nfs/dbraw/zinc/77/48/80/498774880.db2.gz JEHSQYRQLKOQKZ-UHFFFAOYSA-N 2 0 374.529 3.035 20 0 FGADRP CN(C)[C@@H](C[NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1c(F)cccc1F ZINC000298498351 498792184 /nfs/dbraw/zinc/79/21/84/498792184.db2.gz QIJAMAKHVHKEOU-IBGZPJMESA-N 2 0 360.452 3.221 20 0 FGADRP C[C@@H]1C[C@@H](NC(=O)[C@H]2CCn3c(cnc3C3CCCCC3)C2)CC[N@@H+]1C ZINC000332831768 498808205 /nfs/dbraw/zinc/80/82/05/498808205.db2.gz UAKDNQHDWLFDHY-NJAFHUGGSA-N 2 0 358.530 3.092 20 0 FGADRP COC(=O)c1cc(C[NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)n(C)c1C ZINC000291130754 498808278 /nfs/dbraw/zinc/80/82/78/498808278.db2.gz DXGICBBLIDWQSW-UHFFFAOYSA-N 2 0 355.482 3.006 20 0 FGADRP CC[C@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)[C@@H](O)c1c(F)cccc1F ZINC000298578575 498818753 /nfs/dbraw/zinc/81/87/53/498818753.db2.gz XPHZMNJECPCIDA-AZUAARDMSA-N 2 0 361.436 3.430 20 0 FGADRP CO[C@H](CN1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1)c1ccc(Cl)cc1 ZINC000283221829 498821987 /nfs/dbraw/zinc/82/19/87/498821987.db2.gz SUOUCBHHSVEHSU-VQTJNVASSA-N 2 0 365.949 3.129 20 0 FGADRP Fc1ccc(C2OCCO2)c(Cl)c1C[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000291195552 498838102 /nfs/dbraw/zinc/83/81/02/498838102.db2.gz PPWHLKXKKVRIFJ-UHFFFAOYSA-N 2 0 368.880 3.489 20 0 FGADRP O=C(c1ccccc1Cl)N1CCC([NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000366260550 498848014 /nfs/dbraw/zinc/84/80/14/498848014.db2.gz RXYGZOYFNZZZPH-IRXDYDNUSA-N 2 0 361.917 3.161 20 0 FGADRP Cc1cccnc1CC[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000294950132 498859832 /nfs/dbraw/zinc/85/98/32/498859832.db2.gz HNDUVXKVGQCOLX-UHFFFAOYSA-N 2 0 352.526 3.253 20 0 FGADRP CC(C)[C@@H]1OCCC[C@@H]1Nc1cc(N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)ncn1 ZINC000332991916 498860466 /nfs/dbraw/zinc/86/04/66/498860466.db2.gz ABWTWSXDYPNQRM-WKRCXCSHSA-N 2 0 373.545 3.013 20 0 FGADRP Cc1ccccc1[C@@H]([NH3+])C(=O)Nc1cccc([C@@H](C)N2CCOCC2)c1 ZINC000295009468 498878655 /nfs/dbraw/zinc/87/86/55/498878655.db2.gz IUPMOWMOAGBELH-OXQOHEQNSA-N 2 0 353.466 3.027 20 0 FGADRP C[C@@H](C(=O)NC1CC[NH+](Cc2cccs2)CC1)[C@@H]([NH3+])c1ccccc1 ZINC000366345459 498884179 /nfs/dbraw/zinc/88/41/79/498884179.db2.gz IYONORBJDARNKM-DNVCBOLYSA-N 2 0 357.523 3.165 20 0 FGADRP CC1CC[NH+](C2CCC(NC(=O)NC[C@H]3CC[C@H](C[NH3+])CC3)CC2)CC1 ZINC000333363949 498992591 /nfs/dbraw/zinc/99/25/91/498992591.db2.gz LMPFVTJBKDPXCN-RTWGARKQSA-N 2 0 364.578 3.094 20 0 FGADRP C[NH+]1CCC(Oc2ccc(C[NH2+][C@@H]3[C@@H]4CCO[C@H]4C34CCC4)cc2)CC1 ZINC000284352002 499093967 /nfs/dbraw/zinc/09/39/67/499093967.db2.gz MIDVCUWNVNJQJQ-PWRODBHTSA-N 2 0 356.510 3.207 20 0 FGADRP c1ccc(CN2CC[C@H]([NH2+][C@H]3CCO[C@@]4(CCOC4)C3)CC23CC3)cc1 ZINC000570279091 506131522 /nfs/dbraw/zinc/13/15/22/506131522.db2.gz FHPIADBECBPRIJ-ONTIZHBOSA-N 2 0 356.510 3.111 20 0 FGADRP CNC(=O)c1ccc(C[NH2+]C[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000366996882 499131915 /nfs/dbraw/zinc/13/19/15/499131915.db2.gz KLYALCJCFHVOND-JOCHJYFZSA-N 2 0 351.494 3.048 20 0 FGADRP C[C@H]1C[N@H+](CCSc2ccc(Cl)cc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000367029918 499136153 /nfs/dbraw/zinc/13/61/53/499136153.db2.gz OGTWCDWEFHIRTM-QFBILLFUSA-N 2 0 367.990 3.390 20 0 FGADRP COc1cccc2c(N3CC[C@H]([NH+]4CCN(C)CC4)[C@@H](C)C3)cc(C)nc12 ZINC000367059110 499141686 /nfs/dbraw/zinc/14/16/86/499141686.db2.gz BQIGUHIWMUGSRQ-LPHOPBHVSA-N 2 0 368.525 3.014 20 0 FGADRP CN1CCC([NH+]2CCC(CCNC(=O)[C@@H]3CCCC(F)(F)C3)CC2)CC1 ZINC000367071885 499143598 /nfs/dbraw/zinc/14/35/98/499143598.db2.gz LRCWQXZBINNTDL-QGZVFWFLSA-N 2 0 371.516 3.124 20 0 FGADRP CCc1cc(N2CCC[C@H](C[NH+]3CCN(C)CC3)C2)c2ccccc2[nH+]1 ZINC000372726194 499166814 /nfs/dbraw/zinc/16/68/14/499166814.db2.gz JUAVNCCTVSWBMF-GOSISDBHSA-N 2 0 352.526 3.261 20 0 FGADRP C[C@@H]1CCCC[C@@H]1NC(=O)NCCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000370026822 499168477 /nfs/dbraw/zinc/16/84/77/499168477.db2.gz MAUWWZPWZYCVPH-XLIONFOSSA-N 2 0 364.578 3.061 20 0 FGADRP CN1CC[C@@H](C[NH2+]Cc2ccc(Br)o2)[C@@H]1c1cccnc1 ZINC000372774926 499174024 /nfs/dbraw/zinc/17/40/24/499174024.db2.gz GCAFGAFDPVKKJA-BBRMVZONSA-N 2 0 350.260 3.220 20 0 FGADRP CN(C)C(=O)Sc1ccc(CN2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@H]3C2)cc1 ZINC000370253131 499202287 /nfs/dbraw/zinc/20/22/87/499202287.db2.gz VPDAPSAYIWWJLF-NEWSRXKRSA-N 2 0 359.539 3.376 20 0 FGADRP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(NC(=O)c3cccnc3)cc2)[C@H]2CCC[C@@H]21 ZINC000367532557 499209856 /nfs/dbraw/zinc/20/98/56/499209856.db2.gz BOGIESDWKMGZTB-HKBOAZHASA-N 2 0 364.493 3.296 20 0 FGADRP COc1cc(Br)ccc1C[N@@H+]1CC[C@@H](c2nccn2C)C1 ZINC000367697112 499225666 /nfs/dbraw/zinc/22/56/66/499225666.db2.gz BQPBNDZNLCCRNR-CYBMUJFWSA-N 2 0 350.260 3.181 20 0 FGADRP C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]CCc1cn2c(n1)CCCC2 ZINC000370669909 499242516 /nfs/dbraw/zinc/24/25/16/499242516.db2.gz SMEUEGXOUSSFTP-NQIIRXRSSA-N 2 0 352.526 3.262 20 0 FGADRP C[NH+](C)Cc1ccccc1C(=O)N1C[C@H]2[C@@H](CC[N@@H+]2Cc2ccccc2)C1 ZINC000370677641 499243391 /nfs/dbraw/zinc/24/33/91/499243391.db2.gz OVZRRWOZSPQQDN-UNMCSNQZSA-N 2 0 363.505 3.095 20 0 FGADRP C[C@@H]1CN(Cc2cc(Cl)cc(Cl)c2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000370707844 499246545 /nfs/dbraw/zinc/24/65/45/499246545.db2.gz OUTGIZKSUVDOMN-KDOFPFPSSA-N 2 0 356.341 3.451 20 0 FGADRP CN(c1ccccc1C[N@@H+]1CC[C@@H](C2CCOCC2)C1)C1CC[NH+](C)CC1 ZINC000370718967 499247984 /nfs/dbraw/zinc/24/79/84/499247984.db2.gz HNMQEKDOPSXQPU-HXUWFJFHSA-N 2 0 371.569 3.466 20 0 FGADRP C[C@H](C(=O)NC1CC[NH+](C2CCC(C)CC2)CC1)[C@H]([NH3+])c1ccccc1 ZINC000370763708 499252145 /nfs/dbraw/zinc/25/21/45/499252145.db2.gz OBNVOHZIMAJAFX-BLVDZXQRSA-N 2 0 357.542 3.482 20 0 FGADRP [NH3+][C@@H]1CCC[C@H](C(=O)N2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)C1 ZINC000370763383 499252390 /nfs/dbraw/zinc/25/23/90/499252390.db2.gz KANMKXICPVYXIT-VWPQPMDRSA-N 2 0 355.526 3.019 20 0 FGADRP O=C(Oc1ccccc1)N1CCC[C@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000367999479 499253421 /nfs/dbraw/zinc/25/34/21/499253421.db2.gz UYKZVRIQIBBSKD-GBESFXJTSA-N 2 0 357.498 3.256 20 0 FGADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CCCC[C@H]2[C@H]2C[C@H](C)CC[C@@H]2O)CC1 ZINC000368247491 499277931 /nfs/dbraw/zinc/27/79/31/499277931.db2.gz ZXYQSBKGIRVFAE-CZYKHXBRSA-N 2 0 365.606 3.054 20 0 FGADRP Cn1ccnc1[C@H]1CCN(C(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000368380820 499290773 /nfs/dbraw/zinc/29/07/73/499290773.db2.gz PEEUSZSBORJERZ-IBGZPJMESA-N 2 0 366.509 3.038 20 0 FGADRP CC[NH+](CC)Cc1ccccc1CNC(=O)N1CCCC12CC[NH+](C)CC2 ZINC000371415287 499323539 /nfs/dbraw/zinc/32/35/39/499323539.db2.gz BOAVGBDPBYJGLD-UHFFFAOYSA-N 2 0 372.557 3.298 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)C1CC[NH+](Cc2ccc(Cl)s2)CC1 ZINC000368784606 499332451 /nfs/dbraw/zinc/33/24/51/499332451.db2.gz OGPSSMIFCAJQRO-OAHLLOKOSA-N 2 0 369.962 3.214 20 0 FGADRP C[C@H]1CN(Cc2csc(C(C)(C)C)n2)CCN1C1CC[NH+](C)CC1 ZINC000371693157 499355590 /nfs/dbraw/zinc/35/55/90/499355590.db2.gz OUDKFTGOUGQXGR-HNNXBMFYSA-N 2 0 350.576 3.041 20 0 FGADRP Cc1ncc(CN2CC[C@H]([NH2+]Cc3cnc4cccc(C)n34)[C@H](C)C2)s1 ZINC000371884938 499375464 /nfs/dbraw/zinc/37/54/64/499375464.db2.gz WXEPHRVLZUOOOR-KUHUBIRLSA-N 2 0 369.538 3.408 20 0 FGADRP C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@@H]1[NH2+]Cc1ccc(C[NH+]2CCCC2)cc1 ZINC000371985874 499387244 /nfs/dbraw/zinc/38/72/44/499387244.db2.gz WNRCFBJEIIKGFZ-PTUXOGIPSA-N 3 0 371.569 3.261 20 0 FGADRP C[C@H]([NH2+]C(C)(C)CNC(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000369314664 499390845 /nfs/dbraw/zinc/39/08/45/499390845.db2.gz CVAWZGKUGSNMGK-YTQUADARSA-N 2 0 358.530 3.042 20 0 FGADRP Cc1ncc(CN2CC[C@H]([NH2+]C3CC[NH+](C(C)C)CC3)[C@@H](C)C2)s1 ZINC000372046242 499392667 /nfs/dbraw/zinc/39/26/67/499392667.db2.gz KFNVCUWSIXXLMN-KXBFYZLASA-N 2 0 350.576 3.124 20 0 FGADRP C[C@H](CC(=O)NCC1CC[NH+](CCc2ccccc2)CC1)C1CC[NH2+]CC1 ZINC000372099199 499399043 /nfs/dbraw/zinc/39/90/43/499399043.db2.gz RUUUJABBCLWDNY-LJQANCHMSA-N 2 0 371.569 3.083 20 0 FGADRP C[C@H]([NH2+]CCc1cn2c(n1)CCCC2)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000372234386 499411442 /nfs/dbraw/zinc/41/14/42/499411442.db2.gz YCMDHUPDPDAHJU-ICSRJNTNSA-N 3 0 352.526 3.262 20 0 FGADRP C[C@@H]([NH2+]CCc1cn2c(n1)CCCC2)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000372234388 499411567 /nfs/dbraw/zinc/41/15/67/499411567.db2.gz YCMDHUPDPDAHJU-UYAOXDASSA-N 3 0 352.526 3.262 20 0 FGADRP CCc1cccc(CC)c1NC(=O)N1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000373177621 499455557 /nfs/dbraw/zinc/45/55/57/499455557.db2.gz PWIYUICRPZPGTN-KRWDZBQOSA-N 2 0 372.557 3.444 20 0 FGADRP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+][C@H]2CCO[C@]4(CCOC4)C2)C3)cc1 ZINC000373201777 499457034 /nfs/dbraw/zinc/45/70/34/499457034.db2.gz FTXPLSDDVOBWSN-BIRZXAFVSA-N 2 0 356.510 3.110 20 0 FGADRP C[N@H+](Cc1ccccc1)[C@H]1CCCN(C(=O)C2CC[NH+](C3CC3)CC2)CC1 ZINC000373380086 499466444 /nfs/dbraw/zinc/46/64/44/499466444.db2.gz YXZKAPUWCZQQFI-NRFANRHFSA-N 2 0 369.553 3.374 20 0 FGADRP COCCOc1ccc([C@H](C)[NH2+]C[C@@H]2CCCn3cc(C)nc32)cc1OC ZINC000378184018 499488308 /nfs/dbraw/zinc/48/83/08/499488308.db2.gz NDGHPJMRMXECNQ-WMZOPIPTSA-N 2 0 373.497 3.454 20 0 FGADRP CN(c1ccccc1C[NH+]1CCC(c2c[nH]cn2)CC1)C1CC[NH+](C)CC1 ZINC000378343839 499504371 /nfs/dbraw/zinc/50/43/71/499504371.db2.gz WIZVMKMGRHQUTG-UHFFFAOYSA-N 2 0 367.541 3.320 20 0 FGADRP Cc1ncc(CN2CC[C@H]([NH2+]CCC[NH+]3CCCCC3)[C@H](C)C2)s1 ZINC000375484575 499524427 /nfs/dbraw/zinc/52/44/27/499524427.db2.gz BVDAMXZEKUBYFX-APWZRJJASA-N 3 0 350.576 3.128 20 0 FGADRP C[NH+](C)C1CCN(CC[NH2+][C@@H]2CCCOc3cc(Cl)ccc32)CC1 ZINC000378523449 499527564 /nfs/dbraw/zinc/52/75/64/499527564.db2.gz NZXPAJAHAPHMGI-GOSISDBHSA-N 2 0 351.922 3.169 20 0 FGADRP Cc1cc(C)cc(OC[C@H](O)C[NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000383705804 499547111 /nfs/dbraw/zinc/54/71/11/499547111.db2.gz FGVLAWACRBHFAL-FGZHOGPDSA-N 2 0 368.521 3.155 20 0 FGADRP CC(C)Oc1ccc(C[NH2+]CCN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000390893217 499556333 /nfs/dbraw/zinc/55/63/33/499556333.db2.gz BICFNKAMXHXJJF-UHFFFAOYSA-N 2 0 367.537 3.381 20 0 FGADRP C[C@@H]1C[C@H](NC(=O)CC[C@H]([NH3+])c2ccccc2)C[N@@H+]1Cc1ccccc1 ZINC000398058011 499565974 /nfs/dbraw/zinc/56/59/74/499565974.db2.gz LSSNWVPQLIDJLZ-QMMLZNLJSA-N 2 0 351.494 3.246 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)CC1(C[NH3+])CCCCC1 ZINC000398062425 499566464 /nfs/dbraw/zinc/56/64/64/499566464.db2.gz MUBRXCRTUPZJKK-UYAOXDASSA-N 2 0 357.542 3.313 20 0 FGADRP COc1ccc([C@H](C)[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1Br ZINC000400919833 499569120 /nfs/dbraw/zinc/56/91/20/499569120.db2.gz JBVBWOCBSXFGLK-PMOUVXMZSA-N 2 0 353.304 3.496 20 0 FGADRP CN1CC[C@@H](C[N@H+](C)C[C@@H](O)Cc2cccc(Cl)c2)[C@@H]1c1cccnc1 ZINC000376563724 499618939 /nfs/dbraw/zinc/61/89/39/499618939.db2.gz XSRGJEBFENDDHV-JBACZVJFSA-N 2 0 373.928 3.263 20 0 FGADRP CC[C@H]([NH2+][C@H]1CCN(Cc2ccccn2)C[C@H]1C)C1(C(=O)OC)CCC1 ZINC000376637542 499624864 /nfs/dbraw/zinc/62/48/64/499624864.db2.gz RXJPLZNPNQZJCO-NEWSRXKRSA-N 2 0 359.514 3.004 20 0 FGADRP CC1CC[NH+](Cc2ccc(CNC(=O)NCC[NH+]3CCCCC3)cc2)CC1 ZINC000410334505 499655592 /nfs/dbraw/zinc/65/55/92/499655592.db2.gz WAAMOYSJKMGCOM-UHFFFAOYSA-N 2 0 372.557 3.204 20 0 FGADRP C[NH+](C)CCCOc1cnccc1CNC1CC[NH+](C2CCCCC2)CC1 ZINC000377572514 499705799 /nfs/dbraw/zinc/70/57/99/499705799.db2.gz QXWMRLCTLXBVHO-UHFFFAOYSA-N 2 0 374.573 3.299 20 0 FGADRP O=C1CCCN1C1CC[NH+](Cc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000411234636 499715407 /nfs/dbraw/zinc/71/54/07/499715407.db2.gz FXUJFQVEPHOHSO-UHFFFAOYSA-N 2 0 355.526 3.259 20 0 FGADRP COc1cc(C[N@H+](C)C2CCN(c3cc[nH+]cc3)CC2)cc(OC)c1OC ZINC000377710969 499723657 /nfs/dbraw/zinc/72/36/57/499723657.db2.gz YLUPYERWBXQOLN-UHFFFAOYSA-N 2 0 371.481 3.208 20 0 FGADRP Cn1cc(C[NH2+]C[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)c(-c2ccncc2)n1 ZINC000377758680 499729572 /nfs/dbraw/zinc/72/95/72/499729572.db2.gz CXQXZJCIHZOKDM-UGKGYDQZSA-N 2 0 361.493 3.265 20 0 FGADRP CSc1ccc(OC[C@@H](O)C[NH+]2CCC(CCC[NH+](C)C)CC2)cc1 ZINC000411434273 499740098 /nfs/dbraw/zinc/74/00/98/499740098.db2.gz ZNYCVVHPZKHGBI-SFHVURJKSA-N 2 0 366.571 3.202 20 0 FGADRP CC(C)[NH+]1CCC(NC(=O)C[NH2+][C@@H](c2ccc(Cl)cc2)C2CC2)CC1 ZINC000411438682 499740724 /nfs/dbraw/zinc/74/07/24/499740724.db2.gz NXCQGRZXPYIJEP-HXUWFJFHSA-N 2 0 363.933 3.370 20 0 FGADRP C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000377838665 499740775 /nfs/dbraw/zinc/74/07/75/499740775.db2.gz AZBLTGSDTNDPNI-RCCFBDPRSA-N 2 0 351.535 3.050 20 0 FGADRP CC[NH+]1CCC(NC(=O)C[NH2+]C(C)(c2ccccc2)c2ccccc2)CC1 ZINC000411466832 499744442 /nfs/dbraw/zinc/74/44/42/499744442.db2.gz TVVPKCBUYUAJRI-UHFFFAOYSA-N 2 0 365.521 3.140 20 0 FGADRP C[NH+](C)CCCOc1cnccc1C[NH2+][C@@H]1C[C@H](OC(C)(C)C)C1(C)C ZINC000414168852 499765357 /nfs/dbraw/zinc/76/53/57/499765357.db2.gz VAJQIEIYROLPOE-MOPGFXCFSA-N 2 0 363.546 3.484 20 0 FGADRP COc1ccc([C@H](CO)C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000414182518 499766635 /nfs/dbraw/zinc/76/66/35/499766635.db2.gz NIWLLCUXYARJLG-HARLFGEKSA-N 2 0 368.521 3.271 20 0 FGADRP CCCc1ccc([C@H](C)[NH2+]CC2(N3CCOCC3)CC[NH+](C)CC2)cc1 ZINC000414206686 499768311 /nfs/dbraw/zinc/76/83/11/499768311.db2.gz YUFCZVGSAKMTDY-IBGZPJMESA-N 2 0 359.558 3.086 20 0 FGADRP C[N@H+](CCCNC(=O)C1CCC1)Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411634480 499771242 /nfs/dbraw/zinc/77/12/42/499771242.db2.gz LDILFHBJTPKFME-UHFFFAOYSA-N 2 0 357.542 3.411 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+]Cc1cnc(N(C)C)n1C ZINC000414289676 499774630 /nfs/dbraw/zinc/77/46/30/499774630.db2.gz RUQHSYCYSYIIHP-QGZVFWFLSA-N 2 0 355.530 3.150 20 0 FGADRP OC[C@H](C[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)c1ccc(F)cc1 ZINC000414294446 499775055 /nfs/dbraw/zinc/77/50/55/499775055.db2.gz QCGWPUPVBUZUGQ-JFJDKTSWSA-N 2 0 368.496 3.402 20 0 FGADRP C[C@@H]([NH2+]C[C@H](CO)c1ccc(F)cc1)c1cccc(OCC[NH+](C)C)c1 ZINC000414308709 499776405 /nfs/dbraw/zinc/77/64/05/499776405.db2.gz IQNUQCUWJKASQU-VQIMIIECSA-N 2 0 360.473 3.193 20 0 FGADRP C[C@@H](CC1CCCC1)[NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000414327932 499778288 /nfs/dbraw/zinc/77/82/88/499778288.db2.gz PJFUBJHVCKKGBQ-KRWDZBQOSA-N 2 0 357.542 3.442 20 0 FGADRP C[C@H](c1nc2ccccc2n1C(F)F)[N@H+](C)CCCN(C)CC[NH+](C)C ZINC000411734015 499784347 /nfs/dbraw/zinc/78/43/47/499784347.db2.gz HIURPIDNCMMELV-OAHLLOKOSA-N 2 0 367.488 3.308 20 0 FGADRP O=C([C@@H]1CC[N@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1)N1CCCC1 ZINC000411739203 499784932 /nfs/dbraw/zinc/78/49/32/499784932.db2.gz MYVWCFMOGUEQPU-OAQYLSRUSA-N 2 0 355.526 3.117 20 0 FGADRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC000411812442 499793390 /nfs/dbraw/zinc/79/33/90/499793390.db2.gz YAHSSMRUXXBVFK-UHFFFAOYSA-N 3 0 372.601 3.178 20 0 FGADRP CC[NH+]1CCN(c2ccccc2C[NH2+]CC(C)(C)c2cccnc2)CC1 ZINC000414565005 499809912 /nfs/dbraw/zinc/80/99/12/499809912.db2.gz YBQWARFYOBRYOF-UHFFFAOYSA-N 2 0 352.526 3.291 20 0 FGADRP [NH3+]CC(=O)N1CCC[C@@H](C[N@@H+]2CCCCC[C@H]2c2ccc(Cl)cc2)C1 ZINC000414706107 499821624 /nfs/dbraw/zinc/82/16/24/499821624.db2.gz OLAAOGFVUVIEPW-LPHOPBHVSA-N 2 0 363.933 3.454 20 0 FGADRP CC[N@@H+](CC(=O)Nc1ccccc1C(F)(F)F)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414729906 499824051 /nfs/dbraw/zinc/82/40/51/499824051.db2.gz GBTWGHAQMKRRMB-KBPBESRZSA-N 2 0 357.420 3.354 20 0 FGADRP Cc1cc(Br)ccc1NC(=O)C[N@@H+](C)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414737975 499825106 /nfs/dbraw/zinc/82/51/06/499825106.db2.gz OREXHOWDKIAFLB-ZIAGYGMSSA-N 2 0 368.319 3.016 20 0 FGADRP CC[NH+](CC)C[C@@H]1CCN(C(=O)c2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000412144128 499827672 /nfs/dbraw/zinc/82/76/72/499827672.db2.gz AWUHKXBSFBRNLT-FQEVSTJZSA-N 2 0 357.542 3.476 20 0 FGADRP COc1ccc(Br)c(C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000414771741 499829132 /nfs/dbraw/zinc/82/91/32/499829132.db2.gz AIXFKOZWQPDDJD-UONOGXRCSA-N 2 0 353.304 3.279 20 0 FGADRP c1ccc(COc2cccc(C[N@@H+]3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)c2)nc1 ZINC000414774751 499829530 /nfs/dbraw/zinc/82/95/30/499829530.db2.gz FWMCRUZNMQABHF-WOJBJXKFSA-N 2 0 351.494 3.482 20 0 FGADRP c1ccc(COc2ccccc2C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)nc1 ZINC000414778914 499830279 /nfs/dbraw/zinc/83/02/79/499830279.db2.gz JOFAFAJWUPXKPW-RTBURBONSA-N 2 0 351.494 3.482 20 0 FGADRP Cc1cc(C[N@@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)c(OC(F)F)cc1C ZINC000414781644 499830462 /nfs/dbraw/zinc/83/04/62/499830462.db2.gz NJASQPLTRXSNTI-MRXNPFEDSA-N 2 0 354.441 3.092 20 0 FGADRP C(=C\c1ccc(OCc2ccccc2)cc1)\C[NH2+]CCCN1CC[NH2+]CC1 ZINC000414789087 499831429 /nfs/dbraw/zinc/83/14/29/499831429.db2.gz DXEQAVCNVNWEGL-YWEYNIOJSA-N 2 0 365.521 3.164 20 0 FGADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]Cc1cnn(-c2ccc(Br)cc2)c1 ZINC000414797325 499832219 /nfs/dbraw/zinc/83/22/19/499832219.db2.gz INIXBNAVYPOMNZ-PBHICJAKSA-N 2 0 363.303 3.242 20 0 FGADRP Brc1ccccc1CN1CCC([NH2+]C[C@H]2CCC[NH2+]C2)CC1 ZINC000414826124 499835037 /nfs/dbraw/zinc/83/50/37/499835037.db2.gz IONOAUQZGSOIBJ-HNNXBMFYSA-N 2 0 366.347 3.003 20 0 FGADRP Clc1ccc(OC[C@@H]2CCCO2)c(C[NH2+]CC[C@H]2CCC[NH2+]C2)c1 ZINC000414831384 499835399 /nfs/dbraw/zinc/83/53/99/499835399.db2.gz DBUSLFFVEKMYFY-QAPCUYQASA-N 2 0 352.906 3.377 20 0 FGADRP C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000414834830 499835903 /nfs/dbraw/zinc/83/59/03/499835903.db2.gz HXVMXKBVRMMQHB-KGLIPLIRSA-N 2 0 357.420 3.402 20 0 FGADRP c1c(C[NH2+]CC[C@H]2CCC[NH2+]C2)c(-c2cccnc2)nn1-c1ccccc1 ZINC000414844455 499837175 /nfs/dbraw/zinc/83/71/75/499837175.db2.gz RKHAXUYPKDBPQG-GOSISDBHSA-N 2 0 361.493 3.414 20 0 FGADRP CCCOc1c(Br)cc(C[NH2+]C[C@@H](C)C[NH2+]C)cc1OC ZINC000414847691 499837468 /nfs/dbraw/zinc/83/74/68/499837468.db2.gz WFATUWVKLQOCLI-LBPRGKRZSA-N 2 0 359.308 3.192 20 0 FGADRP COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000414848307 499837484 /nfs/dbraw/zinc/83/74/84/499837484.db2.gz GLNZKTWAAMOYFK-BFHYXJOUSA-N 2 0 353.894 3.043 20 0 FGADRP COc1cc(C[NH2+][C@H](C)[C@@H]2CCC[NH2+]C2)ccc1OCc1ccncc1 ZINC000414849644 499837769 /nfs/dbraw/zinc/83/77/69/499837769.db2.gz HMGIFAWRJGWNLX-VQIMIIECSA-N 2 0 355.482 3.147 20 0 FGADRP C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]C[C@@]1(C)CCC[NH2+]C1 ZINC000414899235 499842871 /nfs/dbraw/zinc/84/28/71/499842871.db2.gz CITWHVWEAQRITF-GUYCJALGSA-N 2 0 357.420 3.402 20 0 FGADRP COCC1(C[NH2+]Cc2ccc(Cl)c(C(F)(F)F)c2)CC[NH2+]CC1 ZINC000414966998 499849662 /nfs/dbraw/zinc/84/96/62/499849662.db2.gz CLRCTSGEOIHQHK-UHFFFAOYSA-N 2 0 350.812 3.465 20 0 FGADRP C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000414976799 499850793 /nfs/dbraw/zinc/85/07/93/499850793.db2.gz QITBHZWBEWZTCU-ZIAGYGMSSA-N 2 0 373.419 3.424 20 0 FGADRP COc1ccc(Cn2nc(C)c(C[NH2+]C[C@@H]3CCC[C@H]([NH3+])C3)c2C)cc1 ZINC000414996588 499852753 /nfs/dbraw/zinc/85/27/53/499852753.db2.gz GNFTWUVBMLFLJH-MOPGFXCFSA-N 2 0 356.514 3.164 20 0 FGADRP CCOCCOc1ccc(Br)cc1C[NH2+][C@H]1CC[C@H](C[NH3+])C1 ZINC000415035081 499856666 /nfs/dbraw/zinc/85/66/66/499856666.db2.gz KMGORULONQDOCZ-BBRMVZONSA-N 2 0 371.319 3.081 20 0 FGADRP c1nc(C[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)sc1-c1ccccc1 ZINC000415045319 499857496 /nfs/dbraw/zinc/85/74/96/499857496.db2.gz BMUCIIHTMLBVPP-UHFFFAOYSA-N 2 0 356.539 3.116 20 0 FGADRP COc1ccc(NC(=O)C[C@@H](C)[NH2+][C@@H](CCC[NH3+])c2ccccc2)cc1 ZINC000415048261 499858169 /nfs/dbraw/zinc/85/81/69/499858169.db2.gz GAPROJRKPUMWAN-UZLBHIALSA-N 2 0 355.482 3.482 20 0 FGADRP FC(F)Oc1ccc(Cl)cc1C[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000415061927 499860089 /nfs/dbraw/zinc/86/00/89/499860089.db2.gz ZELNKFZRUWRIOO-UHFFFAOYSA-N 2 0 373.875 3.247 20 0 FGADRP C[C@H](C[C@H]1CCC[NH2+]1)[NH2+]CCOc1ncc(C(F)(F)F)cc1Cl ZINC000415081563 499861651 /nfs/dbraw/zinc/86/16/51/499861651.db2.gz KVDIAXIAWYGVGN-ZYHUDNBSSA-N 2 0 351.800 3.253 20 0 FGADRP CCc1noc(-c2ccc(CC[NH2+][C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)cc2)n1 ZINC000415091425 499862531 /nfs/dbraw/zinc/86/25/31/499862531.db2.gz ZFLCQUAQWYOMOK-IPMKNSEASA-N 2 0 354.498 3.352 20 0 FGADRP FC(F)(F)c1cccc(C2(C[NH2+]CC3CC[NH2+]CC3)CCOCC2)c1 ZINC000415094118 499862786 /nfs/dbraw/zinc/86/27/86/499862786.db2.gz WTDXQBVYWBVZHO-UHFFFAOYSA-N 2 0 356.432 3.343 20 0 FGADRP CC[C@H](C(=O)N1CCC([NH2+][C@H](C)C[C@H]2CCC[NH2+]2)CC1)c1ccccc1 ZINC000415099324 499863331 /nfs/dbraw/zinc/86/33/31/499863331.db2.gz GTCFOVGIDKTONH-UIFIKXQLSA-N 2 0 357.542 3.291 20 0 FGADRP Cc1ccc(-c2ncc(C[NH+]3CCC([C@@H]4OCCC[C@H]4[NH3+])CC3)s2)o1 ZINC000415100958 499863644 /nfs/dbraw/zinc/86/36/44/499863644.db2.gz BCZXOYLSSCGUJU-AEFFLSMTSA-N 2 0 361.511 3.430 20 0 FGADRP CCOc1cc(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)ccc1OCC(F)(F)F ZINC000415101890 499863668 /nfs/dbraw/zinc/86/36/68/499863668.db2.gz BUHQDQOOQYTXNK-HIFRSBDPSA-N 2 0 360.420 3.443 20 0 FGADRP Cc1cc(Br)ccc1C[NH+]1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000415104581 499863978 /nfs/dbraw/zinc/86/39/78/499863978.db2.gz HEWRBMVYFPFZIJ-QZTJIDSGSA-N 2 0 367.331 3.476 20 0 FGADRP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](Cc2sccc2Br)CC1 ZINC000415109004 499864928 /nfs/dbraw/zinc/86/49/28/499864928.db2.gz MXWOFIGCMHUKJQ-UKRRQHHQSA-N 2 0 359.333 3.229 20 0 FGADRP CC(C)Oc1cccc([C@H](NCCCC[NH+]2CCN(C)CC2)C(F)F)c1 ZINC000570411363 506162643 /nfs/dbraw/zinc/16/26/43/506162643.db2.gz NKOCMFFACYWSIE-IBGZPJMESA-N 2 0 369.500 3.397 20 0 FGADRP COc1ccccc1/C=C\C[NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1 ZINC000415127043 499867096 /nfs/dbraw/zinc/86/70/96/499867096.db2.gz HTVIFGAJIASZEW-XFFZJAGNSA-N 2 0 365.521 3.292 20 0 FGADRP [NH3+][C@@H]1CCO[C@@H](C2CC[NH+](Cc3ccc(OCC(F)(F)F)cc3)CC2)C1 ZINC000415126050 499867223 /nfs/dbraw/zinc/86/72/23/499867223.db2.gz OVCDFSAFVAYXRQ-SJLPKXTDSA-N 2 0 372.431 3.346 20 0 FGADRP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000415126006 499867251 /nfs/dbraw/zinc/86/72/51/499867251.db2.gz LTDUGZMTXZEERU-IAGOWNOFSA-N 2 0 353.304 3.167 20 0 FGADRP CCOc1c(Br)cc(CN2CC[C@@H](C)[C@@H](C[NH3+])C2)cc1OC ZINC000415128503 499867511 /nfs/dbraw/zinc/86/75/11/499867511.db2.gz ODDUUIWOKVSFMZ-OCCSQVGLSA-N 2 0 371.319 3.273 20 0 FGADRP CCOc1c(Br)cc(CN2CC[C@H](C)[C@H](C[NH3+])C2)cc1OC ZINC000415128501 499867528 /nfs/dbraw/zinc/86/75/28/499867528.db2.gz ODDUUIWOKVSFMZ-GXTWGEPZSA-N 2 0 371.319 3.273 20 0 FGADRP Cc1cc(NC(=O)Nc2ccc([C@@H](C)[NH3+])cc2)n(C2CC[NH+](C)CC2)n1 ZINC000415245155 499880750 /nfs/dbraw/zinc/88/07/50/499880750.db2.gz AILJJSRZGVYZKJ-CQSZACIVSA-N 2 0 356.474 3.122 20 0 FGADRP CC1CC[NH+](CCc2cccc(NC(=O)N3CC[C@H]4[NH2+]CC[C@@H]4C3)c2)CC1 ZINC000415391639 499890896 /nfs/dbraw/zinc/89/08/96/499890896.db2.gz MBAZLMDDBQUHAL-TZIWHRDSSA-N 2 0 370.541 3.177 20 0 FGADRP C[NH2+]Cc1ccc(NC(=O)N[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)cc1 ZINC000415973118 499935918 /nfs/dbraw/zinc/93/59/18/499935918.db2.gz NTGVLCNOJDDPFC-UZLBHIALSA-N 2 0 352.482 3.191 20 0 FGADRP C[NH2+]Cc1ccc(NC(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000415979606 499936901 /nfs/dbraw/zinc/93/69/01/499936901.db2.gz DTCFKCOEYYGFDT-OXQOHEQNSA-N 2 0 352.482 3.048 20 0 FGADRP C[C@@H](CCNC(=O)Nc1ccc2c(c1)C[NH2+]C2)[N@H+](C)Cc1ccccc1 ZINC000415997303 499939168 /nfs/dbraw/zinc/93/91/68/499939168.db2.gz OVPAXYIFSJSKOQ-INIZCTEOSA-N 2 0 352.482 3.322 20 0 FGADRP O=C1CC[C@@H]([NH2+]Cc2ccc(-c3ccccc3)s2)[C@H](C2CC[NH2+]CC2)N1 ZINC000573305701 506167135 /nfs/dbraw/zinc/16/71/35/506167135.db2.gz LRDSVSUPUHFTPO-NQIIRXRSSA-N 2 0 369.534 3.152 20 0 FGADRP Cc1oc(-c2ccccc2)nc1C[NH+]1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000573310158 506168750 /nfs/dbraw/zinc/16/87/50/506168750.db2.gz HRYKYFNDNMPYSG-AZUAARDMSA-N 2 0 355.482 3.368 20 0 FGADRP C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC000582250010 506169237 /nfs/dbraw/zinc/16/92/37/506169237.db2.gz GGHKTGSOFGABDJ-DBXWQHBBSA-N 2 0 357.542 3.268 20 0 FGADRP C[NH+](C)CCOc1ccc(NC(=O)C[C@H](c2ccccc2)[NH+](C)C)c(F)c1 ZINC000416256122 499997619 /nfs/dbraw/zinc/99/76/19/499997619.db2.gz YKNZNOWFWYLVQH-HXUWFJFHSA-N 2 0 373.472 3.398 20 0 FGADRP CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000429075680 499998599 /nfs/dbraw/zinc/99/85/99/499998599.db2.gz QYSTVGUYQZCWAO-HXUWFJFHSA-N 2 0 360.546 3.058 20 0 FGADRP C[C@H]([NH3+])c1ccc(CNC(=O)N[C@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)cc1 ZINC000417217522 500008030 /nfs/dbraw/zinc/00/80/30/500008030.db2.gz DKFDXLBEEPSRLG-FIKGOQFSSA-N 2 0 366.509 3.341 20 0 FGADRP c1cnc(N2CC[NH+](CCCC[NH2+]C3CC4(C3)CCCCC4)CC2)nc1 ZINC000421327782 500018468 /nfs/dbraw/zinc/01/84/68/500018468.db2.gz RBGQKVFKGGMCQU-UHFFFAOYSA-N 2 0 357.546 3.081 20 0 FGADRP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N[C@H](CCC[NH3+])c1ccccc1 ZINC000417256441 500020289 /nfs/dbraw/zinc/02/02/89/500020289.db2.gz SDSOELNZQCFGQQ-AJYBTWMASA-N 2 0 360.546 3.132 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N(C)[C@H](C)C[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000417291947 500029732 /nfs/dbraw/zinc/02/97/32/500029732.db2.gz BONWQYSRKZTOMJ-CZUORRHYSA-N 2 0 374.451 3.077 20 0 FGADRP CCOC(=O)c1nn(-c2ccccc2)cc1C[NH2+]C1CCC([NH+](C)C)CC1 ZINC000421370070 500029979 /nfs/dbraw/zinc/02/99/79/500029979.db2.gz IPJXHLKGFKRAEI-UHFFFAOYSA-N 2 0 370.497 3.011 20 0 FGADRP CC[NH+]1CCC(N2CCC[N@H+](Cc3cnc(C(C)(C)C)s3)CC2)CC1 ZINC000421373688 500030610 /nfs/dbraw/zinc/03/06/10/500030610.db2.gz MWMNZHZFWJFWAM-UHFFFAOYSA-N 2 0 364.603 3.433 20 0 FGADRP C[C@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)[C@@H]1C[C@H]1c1cccs1 ZINC000417322382 500039941 /nfs/dbraw/zinc/03/99/41/500039941.db2.gz MVXMKUNSNWGCAU-RYQLBKOJSA-N 2 0 356.539 3.177 20 0 FGADRP C[C@H]([NH2+]CC(C)(C)C1(O)CCOCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000417388848 500057456 /nfs/dbraw/zinc/05/74/56/500057456.db2.gz WNAVUCKDDXZRJZ-AZUAARDMSA-N 2 0 360.542 3.054 20 0 FGADRP CC[N@H+](C)Cc1cccc(CNC(=O)NCc2ccc([C@H](C)[NH3+])cc2)c1 ZINC000417396340 500059636 /nfs/dbraw/zinc/05/96/36/500059636.db2.gz FXOUJURWKZIVFX-INIZCTEOSA-N 2 0 354.498 3.157 20 0 FGADRP CC(C)[NH+]1CCC([NH2+]C[C@H](CO)Cc2ccc(Br)cc2)CC1 ZINC000429439709 500079033 /nfs/dbraw/zinc/07/90/33/500079033.db2.gz AZMZKCLXGGGQND-MRXNPFEDSA-N 2 0 369.347 3.063 20 0 FGADRP c1ccc(-c2ccc(C[NH+]3CCC(CC[NH+]4CCOCC4)CC3)cn2)nc1 ZINC000425397464 500093898 /nfs/dbraw/zinc/09/38/98/500093898.db2.gz MEEGYXLOJHJWIG-UHFFFAOYSA-N 2 0 366.509 3.078 20 0 FGADRP O=C(NCc1ccccc1C[NH+]1CCCCCC1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000417619855 500126803 /nfs/dbraw/zinc/12/68/03/500126803.db2.gz IKVWLWGMJWLMMC-OYRHEFFESA-N 2 0 370.541 3.099 20 0 FGADRP CC1CC[NH+]([C@@H](CNC(=O)N(C)CC(C)(C)C[NH3+])c2cccs2)CC1 ZINC000416826485 500130612 /nfs/dbraw/zinc/13/06/12/500130612.db2.gz BSIIUIJYAFVTGL-INIZCTEOSA-N 2 0 366.575 3.147 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N1CCC2(CC[NH2+]CC2)CC1)c1ccccc1 ZINC000416834188 500133821 /nfs/dbraw/zinc/13/38/21/500133821.db2.gz DFQWZUULUHDKAI-HXUWFJFHSA-N 2 0 372.557 3.245 20 0 FGADRP C[C@@H]([NH3+])c1ccc(CNC(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)cc1 ZINC000416840302 500135378 /nfs/dbraw/zinc/13/53/78/500135378.db2.gz LATJGJBAYAIWFW-QAPCUYQASA-N 2 0 372.538 3.404 20 0 FGADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H](C)c2csc(-c3ccccc3)n2)CC1 ZINC000414066078 500142514 /nfs/dbraw/zinc/14/25/14/500142514.db2.gz PDAVJEKWPIYTBX-SJORKVTESA-N 2 0 358.555 3.487 20 0 FGADRP CC[NH+](CC)Cc1ccc(CNC(=O)NC[C@@H]([NH3+])c2ccccc2)cc1 ZINC000416884734 500147446 /nfs/dbraw/zinc/14/74/46/500147446.db2.gz LELBSSTXUJBNIY-HXUWFJFHSA-N 2 0 354.498 3.028 20 0 FGADRP COc1ccc(C[NH+]2CCC(C[NH2+][C@@H](C)c3cc4n(n3)CCC4)CC2)cc1 ZINC000414077290 500147671 /nfs/dbraw/zinc/14/76/71/500147671.db2.gz PSUQAXZGMSNGNY-KRWDZBQOSA-N 2 0 368.525 3.401 20 0 FGADRP C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000416887515 500147995 /nfs/dbraw/zinc/14/79/95/500147995.db2.gz IFKJPVFUFBIRER-YLJYHZDGSA-N 2 0 358.530 3.084 20 0 FGADRP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)NC[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000417686439 500148439 /nfs/dbraw/zinc/14/84/39/500148439.db2.gz GLIZCQNMWRQUDV-AOIWGVFYSA-N 2 0 358.530 3.029 20 0 FGADRP C[C@@H]([NH2+]C1(CNC(=O)NCCC[C@@H]2CCC[NH2+]2)CCCC1)c1ccccc1 ZINC000417701382 500151830 /nfs/dbraw/zinc/15/18/30/500151830.db2.gz JKZHDVCMTVDUBN-QUCCMNQESA-N 2 0 372.557 3.481 20 0 FGADRP C[C@H]([NH2+]C1(CNC(=O)N2CCC[C@@H](CC[NH3+])C2)CCCC1)c1ccccc1 ZINC000417706448 500153353 /nfs/dbraw/zinc/15/33/53/500153353.db2.gz OVOWESQVQNGFIH-OALUTQOASA-N 2 0 372.557 3.420 20 0 FGADRP COc1ccc([C@@H]([NH2+]C[C@H](C(C)C)N2CC[NH+](C)CC2)C2CC2)c(F)c1 ZINC000421818582 500158320 /nfs/dbraw/zinc/15/83/20/500158320.db2.gz BNQGXFSCWPOKFS-RTWAWAEBSA-N 2 0 363.521 3.147 20 0 FGADRP COc1cc(Cl)ccc1[C@H](C)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000421821477 500159023 /nfs/dbraw/zinc/15/90/23/500159023.db2.gz RQRAYAWEVIKRMZ-HNNXBMFYSA-N 2 0 374.916 3.346 20 0 FGADRP COc1cc(Cl)ccc1[C@@H](C)[NH2+]C[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000421821714 500159382 /nfs/dbraw/zinc/15/93/82/500159382.db2.gz SZQAGFGMKDZKIE-CRAIPNDOSA-N 2 0 353.938 3.271 20 0 FGADRP CCCN1C[C@H](C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)CC1=O ZINC000421848857 500163214 /nfs/dbraw/zinc/16/32/14/500163214.db2.gz AQEPIGTWLBCWDG-DXBBTUNJSA-N 2 0 369.553 3.278 20 0 FGADRP CCC(CC)[C@@H](CNC(=O)NCc1ccc([C@H](C)[NH3+])cc1)[NH+]1CCCC1 ZINC000416962423 500167506 /nfs/dbraw/zinc/16/75/06/500167506.db2.gz UGHNKUMFAMICMG-OXJNMPFZSA-N 2 0 360.546 3.406 20 0 FGADRP C[NH2+]C[C@H]1CCCN(C(=O)NCc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)C1 ZINC000416967092 500168768 /nfs/dbraw/zinc/16/87/68/500168768.db2.gz GTGNUIZOSHDRSR-GHTZIAJQSA-N 2 0 372.557 3.060 20 0 FGADRP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000416968528 500169643 /nfs/dbraw/zinc/16/96/43/500169643.db2.gz JJGHAKHADSRNJK-LQWHRVPQSA-N 2 0 372.557 3.330 20 0 FGADRP CCCN(C(=O)NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1)[C@H]1CC[NH2+]C1 ZINC000416985039 500175578 /nfs/dbraw/zinc/17/55/78/500175578.db2.gz YJBONBJTOYRJQI-RXVVDRJESA-N 2 0 372.557 3.345 20 0 FGADRP C[C@H](CCNC(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1)[N@H+](C)Cc1ccccc1 ZINC000417806598 500175598 /nfs/dbraw/zinc/17/55/98/500175598.db2.gz BGNXGZKMXORUTM-NQIIRXRSSA-N 2 0 372.557 3.071 20 0 FGADRP C[C@@H](CCNC(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1)[N@H+](C)Cc1ccccc1 ZINC000417806599 500175934 /nfs/dbraw/zinc/17/59/34/500175934.db2.gz BGNXGZKMXORUTM-RXVVDRJESA-N 2 0 372.557 3.071 20 0 FGADRP C[NH2+][C@@H]1CCCN(C(=O)NCc2ccccc2C[NH+]2C[C@H](C)C[C@@H](C)C2)C1 ZINC000416990108 500177574 /nfs/dbraw/zinc/17/75/74/500177574.db2.gz MYOHRIOIUUAGQA-DBXWQHBBSA-N 2 0 372.557 3.058 20 0 FGADRP C[C@H](CCCC[NH3+])NC(=O)NCc1ccccc1C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000416990509 500177682 /nfs/dbraw/zinc/17/76/82/500177682.db2.gz NFFGSOKIVAOCNR-GUDVDZBRSA-N 2 0 374.573 3.481 20 0 FGADRP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)N(C)CC(C)(C)C[NH3+])C1 ZINC000417009097 500182728 /nfs/dbraw/zinc/18/27/28/500182728.db2.gz XIWPCNRIEKVLKK-QZTJIDSGSA-N 2 0 374.573 3.291 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)N(C)CC(C)(C)C[NH3+])C1 ZINC000417009096 500182956 /nfs/dbraw/zinc/18/29/56/500182956.db2.gz XIWPCNRIEKVLKK-HDICACEKSA-N 2 0 374.573 3.291 20 0 FGADRP CCCC[N@H+](CC)Cc1cccc(CNC(=O)N[C@@H](C)[C@H]2CCC[NH2+]C2)c1 ZINC000417881819 500190767 /nfs/dbraw/zinc/19/07/67/500190767.db2.gz RJDMRPJPULENAR-RXVVDRJESA-N 2 0 374.573 3.496 20 0 FGADRP CCCC[C@H](C[NH3+])NC(=O)NCC[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000417923206 500198944 /nfs/dbraw/zinc/19/89/44/500198944.db2.gz KLMYVWYJJSJPFT-DFQSSKMNSA-N 2 0 360.546 3.104 20 0 FGADRP COCC1(C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CCOCC1 ZINC000425950061 500215648 /nfs/dbraw/zinc/21/56/48/500215648.db2.gz IRIVXZBTDZGXCO-BHDDXSALSA-N 2 0 372.553 3.320 20 0 FGADRP OC1(C[NH2+]C[C@H]2C[C@@H]2c2ccccc2)CC[NH+](Cc2ccccc2)CC1 ZINC000418094993 500228088 /nfs/dbraw/zinc/22/80/88/500228088.db2.gz IRHHOTYYPZHJAA-FGZHOGPDSA-N 2 0 350.506 3.407 20 0 FGADRP C[NH+](C)[C@H]1CCCN(C(=O)[C@@]23CCC[C@@H]2C[N@H+](Cc2ccccc2)C3)CC1 ZINC000430400159 500235689 /nfs/dbraw/zinc/23/56/89/500235689.db2.gz MQSFSQNMJKFUAY-FUPPJEDESA-N 2 0 369.553 3.231 20 0 FGADRP CC[C@H](C)CNC(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000422222203 500236843 /nfs/dbraw/zinc/23/68/43/500236843.db2.gz DJKVDBQEQIRNEP-UHOSZYNNSA-N 2 0 352.567 3.011 20 0 FGADRP CCc1ccc([C@@H](CNC(=O)NC2(C)CC[NH2+]CC2)[NH+](CC)CC)cc1 ZINC000418207264 500249190 /nfs/dbraw/zinc/24/91/90/500249190.db2.gz BKQNYDHFBOAMSO-LJQANCHMSA-N 2 0 360.546 3.073 20 0 FGADRP CCc1ccc([C@H](CNC(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)[NH+](CC)CC)cc1 ZINC000418221358 500251542 /nfs/dbraw/zinc/25/15/42/500251542.db2.gz VQTBGANQNOUBTI-NJYVYQBISA-N 2 0 372.557 3.025 20 0 FGADRP CC(C)[C@@H]([NH3+])CC[N@H+](C)CCC(=O)Nc1cccc(Br)c1 ZINC000430587712 500259073 /nfs/dbraw/zinc/25/90/73/500259073.db2.gz ACASZGQXQKHLLI-HNNXBMFYSA-N 2 0 356.308 3.083 20 0 FGADRP CC(C)c1ccc([C@H]([NH3+])CNC(=O)N(CC[NH+](C)C)Cc2ccco2)cc1 ZINC000418337968 500264870 /nfs/dbraw/zinc/26/48/70/500264870.db2.gz YNKZIQABNXRSMT-HXUWFJFHSA-N 2 0 372.513 3.176 20 0 FGADRP CCN(C(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000418356152 500267384 /nfs/dbraw/zinc/26/73/84/500267384.db2.gz XLHQOSQMYAYQNF-VURPSTOHSA-N 2 0 372.557 3.242 20 0 FGADRP C[C@@H]1C[C@H](N(C)C(=O)NCC[C@H]2CCC[NH2+]C2)CC[N@@H+]1Cc1ccccc1 ZINC000418355398 500267841 /nfs/dbraw/zinc/26/78/41/500267841.db2.gz BKEMAOPBRKTFES-SFHLNBCPSA-N 2 0 372.557 3.071 20 0 FGADRP [NH3+]C1(C(=O)N2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)CCCCC1 ZINC000430708185 500273030 /nfs/dbraw/zinc/27/30/30/500273030.db2.gz RTKCPXVHJZTNLY-OAQYLSRUSA-N 2 0 355.526 3.163 20 0 FGADRP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCC([NH3+])(CC)CC ZINC000418425235 500274786 /nfs/dbraw/zinc/27/47/86/500274786.db2.gz JFFGQCZNJBRJAB-LJQANCHMSA-N 2 0 360.546 3.058 20 0 FGADRP CC(C)C[C@@H](C[NH3+])NC(=O)N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000418430058 500275275 /nfs/dbraw/zinc/27/52/75/500275275.db2.gz UFTPFEJZZTZGQQ-HKUYNNGSSA-N 2 0 352.567 3.046 20 0 FGADRP CCCC[C@H](C[NH3+])NC(=O)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000418450337 500277658 /nfs/dbraw/zinc/27/76/58/500277658.db2.gz TXGIPTKYCVXQHQ-HXUWFJFHSA-N 2 0 372.557 3.202 20 0 FGADRP CCN(CCC[NH+]1CCCC1)C(=O)N[C@H](C[NH3+])c1ccc2ccccc2c1 ZINC000418481452 500282230 /nfs/dbraw/zinc/28/22/30/500282230.db2.gz CPSMAEBGLFSXIF-OAQYLSRUSA-N 2 0 368.525 3.357 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H](C[NH3+])c2ccc3ccccc3c2)[C@H](C)C1 ZINC000418486400 500282461 /nfs/dbraw/zinc/28/24/61/500282461.db2.gz JJUBWVKXYYCWEQ-CZAAIQMYSA-N 2 0 368.525 3.211 20 0 FGADRP Cc1ccc(-c2noc(CCC[N@@H+]3C[C@H](C[NH3+])[C@@H](C)C[C@H]3C)n2)cc1F ZINC000422641647 500285156 /nfs/dbraw/zinc/28/51/56/500285156.db2.gz YETDHZWQKPNBKH-UXLLHSPISA-N 2 0 360.477 3.422 20 0 FGADRP CC[NH+](CC)CCOc1ccc(CN[C@H]2CCCCC[C@H]2[NH3+])cc1OC ZINC000422697151 500286843 /nfs/dbraw/zinc/28/68/43/500286843.db2.gz UAPVKYWCIKYTQK-MOPGFXCFSA-N 2 0 363.546 3.165 20 0 FGADRP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000422717397 500289458 /nfs/dbraw/zinc/28/94/58/500289458.db2.gz VPXLPTNGEQWKNT-UYAOXDASSA-N 2 0 361.599 3.286 20 0 FGADRP CC[C@@H]([NH2+]C1CCC(C[NH3+])CC1)c1ccccc1OCC(=O)N1CCCC1 ZINC000422726294 500290531 /nfs/dbraw/zinc/29/05/31/500290531.db2.gz ZSIPGWDMBTWICO-AFMYVXGZSA-N 2 0 373.541 3.246 20 0 FGADRP CN(C)[C@H](C[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1cccc(F)c1 ZINC000422730332 500291219 /nfs/dbraw/zinc/29/12/19/500291219.db2.gz MBWSTQBLJYRBNS-TUNNFDKTSA-N 2 0 369.484 3.274 20 0 FGADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(NC(=O)NCc2ccncc2)c1 ZINC000422737319 500292684 /nfs/dbraw/zinc/29/26/84/500292684.db2.gz XHSDADFALMGBJD-AZUAARDMSA-N 2 0 367.497 3.010 20 0 FGADRP COCCOc1ccccc1C[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422743232 500293078 /nfs/dbraw/zinc/29/30/78/500293078.db2.gz SXKQHAUPWYQTSS-KNQAVFIVSA-N 2 0 368.477 3.057 20 0 FGADRP OC1CC[NH+](Cc2ccc(C[NH2+][C@@H]3CCC[C@@H]3[C@H]3CCCC[NH2+]3)cc2)CC1 ZINC000422746963 500293650 /nfs/dbraw/zinc/29/36/50/500293650.db2.gz XSPXGTPYSXPREL-DNVJHFABSA-N 3 0 371.569 3.044 20 0 FGADRP COc1ccc([C@@H](C[NH2+][C@@H](C)c2ccc(C[NH3+])nc2C)N2CCCC2)cc1 ZINC000422752470 500293946 /nfs/dbraw/zinc/29/39/46/500293946.db2.gz HDICBXCKBTZEBD-KSFYIVLOSA-N 2 0 368.525 3.345 20 0 FGADRP COc1ccc([C@@H](C[NH2+][C@H](C)c2ccc(C[NH3+])nc2C)N2CCCC2)cc1 ZINC000422752471 500294020 /nfs/dbraw/zinc/29/40/20/500294020.db2.gz HDICBXCKBTZEBD-OPAMFIHVSA-N 2 0 368.525 3.345 20 0 FGADRP CCC(CC)(CN[C@H](C1CC1)[C@@H]1C[NH2+]CCO1)[NH2+][C@H](C)c1ccccc1 ZINC000422760681 500295183 /nfs/dbraw/zinc/29/51/83/500295183.db2.gz LCPVAANTVSUYFO-JRGCBEDISA-N 2 0 359.558 3.253 20 0 FGADRP c1ccc(CN2CC[C@H]([NH2+][C@@H]3C[C@@]4(CC[NH2+]C4)Oc4ccccc43)C2)cc1 ZINC000422772063 500295705 /nfs/dbraw/zinc/29/57/05/500295705.db2.gz YCJJIYGADBKWGG-XKCSPQBFSA-N 2 0 363.505 3.106 20 0 FGADRP CCCN(C(=O)N[C@@H]1CC[NH2+][C@@H](C)C1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000418612764 500296660 /nfs/dbraw/zinc/29/66/60/500296660.db2.gz VYJGGFNEHVTSCS-CEWLAPEOSA-N 2 0 372.557 3.213 20 0 FGADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]CC1(c2cccc(C(F)(F)F)c2)CCC1 ZINC000422786071 500297511 /nfs/dbraw/zinc/29/75/11/500297511.db2.gz OERUJCPKGPDERA-IAOVAPTHSA-N 2 0 356.432 3.469 20 0 FGADRP CCOC(=O)C1([C@H](C)[NH2+]C[C@H](C)Oc2ccc(Cl)cc2)CC[NH2+]CC1 ZINC000422797453 500298869 /nfs/dbraw/zinc/29/88/69/500298869.db2.gz MPCRJGMGIQNFPI-GJZGRUSLSA-N 2 0 368.905 3.018 20 0 FGADRP Cc1cccc(N2CC[NH+](CCCN[C@H]3C[C@H]([NH3+])c4ccccc43)CC2)c1 ZINC000422809122 500300558 /nfs/dbraw/zinc/30/05/58/500300558.db2.gz PHMKINDUTJOGKM-GOTSBHOMSA-N 2 0 364.537 3.242 20 0 FGADRP Cc1cc(Br)cc(C)c1C[NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000422828127 500303414 /nfs/dbraw/zinc/30/34/14/500303414.db2.gz SWXJVQOAWAGVBO-FGTMMUONSA-N 2 0 367.331 3.313 20 0 FGADRP C[NH+](C)C[C@@H](NC(=O)NC[C@H]1CC[C@H](C[NH3+])CC1)c1ccc(Cl)cc1 ZINC000418664274 500304121 /nfs/dbraw/zinc/30/41/21/500304121.db2.gz ISJQKMFMGVFQMH-IIDMSEBBSA-N 2 0 366.937 3.007 20 0 FGADRP C[C@H](CCCC[NH3+])NC(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000418669298 500304630 /nfs/dbraw/zinc/30/46/30/500304630.db2.gz HYUWILFBGYZNBB-KNQAVFIVSA-N 2 0 372.557 3.202 20 0 FGADRP C([NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)C1(CN2CCOCC2)CCCCC1 ZINC000422845300 500304887 /nfs/dbraw/zinc/30/48/87/500304887.db2.gz BNVSIWYRAKRNJT-NJDAHSKKSA-N 2 0 363.590 3.170 20 0 FGADRP COCCOc1ccc(C[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422860296 500306670 /nfs/dbraw/zinc/30/66/70/500306670.db2.gz LHXWWEMHVKANBA-UNMCSNQZSA-N 2 0 368.477 3.057 20 0 FGADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]Cc1ccccc1COCc1ccccc1 ZINC000422858800 500306793 /nfs/dbraw/zinc/30/67/93/500306793.db2.gz JHWBVFZYIHWJJE-MTNREXPMSA-N 2 0 354.494 3.245 20 0 FGADRP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N[C@@H](C)CCCC[NH3+] ZINC000418678506 500306784 /nfs/dbraw/zinc/30/67/84/500306784.db2.gz VPBXJQOPMRCUHH-AZUAARDMSA-N 2 0 360.546 3.058 20 0 FGADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]Cc1ccc(-c2nc3ccccc3s2)o1 ZINC000422858775 500306835 /nfs/dbraw/zinc/30/68/35/500306835.db2.gz JFWLJGAOVSUCOY-CFVMTHIKSA-N 2 0 357.479 3.398 20 0 FGADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]Cc1ccnc(OCC(F)(F)F)c1 ZINC000422863713 500307329 /nfs/dbraw/zinc/30/73/29/500307329.db2.gz PLJIHBGKJOAMKH-NSHDSACASA-N 2 0 354.376 3.036 20 0 FGADRP Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)c(OC[C@H]2CCOC2)c1 ZINC000422866628 500307599 /nfs/dbraw/zinc/30/75/99/500307599.db2.gz QYYAKFXWPSPHPT-OYNPSCLESA-N 2 0 358.526 3.421 20 0 FGADRP O=C(CCc1ccccc1)N1CC[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)C1 ZINC000422869538 500308197 /nfs/dbraw/zinc/30/81/97/500308197.db2.gz ANLYJOFTQVXYTQ-DXBBTUNJSA-N 2 0 369.553 3.121 20 0 FGADRP CCCN(CC[NH+]1CCCCCC1)C(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000418691823 500308809 /nfs/dbraw/zinc/30/88/09/500308809.db2.gz ZLTUEQHQPAAPJU-WGSAOQKQSA-N 2 0 352.567 3.049 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000422874810 500308818 /nfs/dbraw/zinc/30/88/18/500308818.db2.gz DGFHINUXFQRWBU-HGSOSGBHSA-N 3 0 371.569 3.308 20 0 FGADRP COc1ccc(OCc2ccccn2)c(C[NH+]2CCC3(CC[NH2+]C3)CC2)c1 ZINC000430934501 500309672 /nfs/dbraw/zinc/30/96/72/500309672.db2.gz MWIPOPMWZYDMAE-UHFFFAOYSA-N 2 0 367.493 3.245 20 0 FGADRP Cc1nc(-c2cccc(NC(=O)C[NH+]3CCC([C@H](C)[NH3+])CC3)c2)cs1 ZINC000430937215 500309934 /nfs/dbraw/zinc/30/99/34/500309934.db2.gz AGWCQDXYKYYPRS-ZDUSSCGKSA-N 2 0 358.511 3.116 20 0 FGADRP C[C@@H]([NH3+])C1CC[NH+](CC(=O)N(Cc2ccccc2)c2ccccc2)CC1 ZINC000430937160 500309953 /nfs/dbraw/zinc/30/99/53/500309953.db2.gz ZPSFQDACQHIGDO-GOSISDBHSA-N 2 0 351.494 3.279 20 0 FGADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]CC(C)(C)c1ccc(Br)cc1 ZINC000422884608 500310289 /nfs/dbraw/zinc/31/02/89/500310289.db2.gz SEAKFMFAPBMILL-RCBQFDQVSA-N 2 0 355.320 3.069 20 0 FGADRP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@H]2[NH2+]C[C@H]1CCOc2ccccc21 ZINC000422882105 500310397 /nfs/dbraw/zinc/31/03/97/500310397.db2.gz AFIFCONBBGSBMM-ZWDAVXSWSA-N 2 0 350.462 3.398 20 0 FGADRP COc1cccc(-c2nc(C[NH+]3CCC([C@H](C)[NH3+])CC3)cs2)c1OC ZINC000430939829 500310723 /nfs/dbraw/zinc/31/07/23/500310723.db2.gz HTMAPYWNHXISTL-ZDUSSCGKSA-N 2 0 361.511 3.387 20 0 FGADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]CC1(c2ccc(Br)cc2)CCOCC1 ZINC000422885424 500311047 /nfs/dbraw/zinc/31/10/47/500311047.db2.gz YPAPWUFRCIROPE-PBHICJAKSA-N 2 0 367.331 3.214 20 0 FGADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C1CCC(C(=O)N2CCSCC2)CC1 ZINC000422885494 500311107 /nfs/dbraw/zinc/31/11/07/500311107.db2.gz YXEJLSVHBOQSQJ-LWSMDNFKSA-N 2 0 367.603 3.021 20 0 FGADRP C[C@H](CCCC[NH3+])[NH2+]C[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000422893684 500312044 /nfs/dbraw/zinc/31/20/44/500312044.db2.gz ANOIDGALONDFRP-HUUCEWRRSA-N 2 0 354.336 3.383 20 0 FGADRP Clc1cc(CC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)cc2c1OCCO2 ZINC000422928421 500318533 /nfs/dbraw/zinc/31/85/33/500318533.db2.gz KMIOYUCCVXRUOU-UAGQMJEPSA-N 2 0 350.890 3.164 20 0 FGADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]CC1(c2cccc(Br)c2)CCOCC1 ZINC000422934733 500319297 /nfs/dbraw/zinc/31/92/97/500319297.db2.gz DAFPPAFJENLFOJ-KGLIPLIRSA-N 2 0 355.320 3.213 20 0 FGADRP c1ccc(N2CC[NH+](CCCC[NH2+][C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)CC2)cc1 ZINC000422938576 500319765 /nfs/dbraw/zinc/31/97/65/500319765.db2.gz HFLVAIDKOZRYNN-DNVJHFABSA-N 3 0 370.585 3.099 20 0 FGADRP Cc1ccc(Br)cc1NC(=O)CC[NH2+][C@H](C)CCCC[NH3+] ZINC000422953172 500323492 /nfs/dbraw/zinc/32/34/92/500323492.db2.gz DMFCKNRMNSANLD-CYBMUJFWSA-N 2 0 356.308 3.193 20 0 FGADRP Cc1cc(Br)ccc1C[NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000422955230 500323499 /nfs/dbraw/zinc/32/34/99/500323499.db2.gz IZTFRMZQCSNBAJ-BRWVUGGUSA-N 2 0 353.304 3.004 20 0 FGADRP C[C@H](C(=O)Nc1ccccc1C(F)(F)F)[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000431017794 500324396 /nfs/dbraw/zinc/32/43/96/500324396.db2.gz SDHMTZOWOJBZEJ-CYBMUJFWSA-N 2 0 355.404 3.108 20 0 FGADRP c1coc([C@H](C[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)N2CCCC2)c1 ZINC000422964438 500324764 /nfs/dbraw/zinc/32/47/64/500324764.db2.gz LOSCHQDZEODHSS-XQBPLPMBSA-N 2 0 367.493 3.262 20 0 FGADRP COCCNc1ccc(C[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422963307 500324786 /nfs/dbraw/zinc/32/47/86/500324786.db2.gz FMRZAPOZNZMOEE-RBBKRZOGSA-N 2 0 367.493 3.090 20 0 FGADRP OCC1CC[NH+](Cc2cccc(N[C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)c2)CC1 ZINC000422984165 500327067 /nfs/dbraw/zinc/32/70/67/500327067.db2.gz XFHKTSNMBQLAKE-FDFHNCONSA-N 2 0 357.542 3.224 20 0 FGADRP COc1ccc([C@H](CN[C@H]2C[C@@H]([NH3+])c3ccccc32)[NH+](C)C)cc1OC ZINC000422985291 500327418 /nfs/dbraw/zinc/32/74/18/500327418.db2.gz CYTGPEXTKGIFNV-QYZOEREBSA-N 2 0 355.482 3.041 20 0 FGADRP FC(F)(F)c1ccc(OCC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)nc1 ZINC000422989563 500327825 /nfs/dbraw/zinc/32/78/25/500327825.db2.gz LSBKXESYYMEZMD-OWCLPIDISA-N 2 0 357.420 3.380 20 0 FGADRP O=C(Nc1ccc(CC[NH+]2CCCCC2)cc1)[C@H]1Cc2ccccc2C[NH2+]1 ZINC000431058100 500329384 /nfs/dbraw/zinc/32/93/84/500329384.db2.gz LNUHJHXFVAAXLS-JOCHJYFZSA-N 2 0 363.505 3.368 20 0 FGADRP C[C@H](C(=O)N[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1)[C@H]([NH3+])c1ccccc1 ZINC000431060885 500329992 /nfs/dbraw/zinc/32/99/92/500329992.db2.gz HEZPZEHFQJITEI-PZBISTMVSA-N 2 0 351.494 3.274 20 0 FGADRP CO[C@H](c1ccc(Br)cc1)[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423018269 500332037 /nfs/dbraw/zinc/33/20/37/500332037.db2.gz QOFZONMBFYNXSF-IKQBVMFBSA-N 2 0 353.304 3.398 20 0 FGADRP CCOC(=O)C1([C@H](C)[NH2+]CC2(c3ccc(OC)cc3)CCC2)CC[NH2+]CC1 ZINC000423029586 500332870 /nfs/dbraw/zinc/33/28/70/500332870.db2.gz IMMXCPASCQCFAS-KRWDZBQOSA-N 2 0 374.525 3.028 20 0 FGADRP C[C@@H]1C[C@H](N(C)C(=O)[C@H]2CCC[NH+]2C2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000426889246 500333476 /nfs/dbraw/zinc/33/34/76/500333476.db2.gz LWKCIJHLLBQGDU-DUXKGJEZSA-N 2 0 355.526 3.125 20 0 FGADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CCN1CCc2c(Cl)cccc2C1 ZINC000423053293 500336240 /nfs/dbraw/zinc/33/62/40/500336240.db2.gz AHSZAWRRBHSLSK-AWEZNQCLSA-N 2 0 358.917 3.211 20 0 FGADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]CC1(c2cc(F)cc(C(F)(F)F)c2)CC1 ZINC000423058721 500336751 /nfs/dbraw/zinc/33/67/51/500336751.db2.gz KGPNTHAQXZJJMB-UVBJJODRSA-N 2 0 360.395 3.218 20 0 FGADRP COc1cc(Br)ccc1C[NH2+][C@H](C)c1ccc(C[NH3+])nc1C ZINC000423061987 500337507 /nfs/dbraw/zinc/33/75/07/500337507.db2.gz LZEPOHKKFXVSFS-LLVKDONJSA-N 2 0 364.287 3.471 20 0 FGADRP CN1C[C@H](C[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)Cc2ccccc21 ZINC000423062503 500337563 /nfs/dbraw/zinc/33/75/63/500337563.db2.gz UFVLUZJHKAGGPJ-KPDCDPCYSA-N 2 0 363.505 3.141 20 0 FGADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CCCOc1ccc(C(F)(F)F)cn1 ZINC000423068142 500337920 /nfs/dbraw/zinc/33/79/20/500337920.db2.gz AZICYJXNPQHQKT-GFCCVEGCSA-N 2 0 368.403 3.382 20 0 FGADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]C[C@@]1(Cc2ccc(F)cc2)CCC[C@@H]1O ZINC000423073794 500338491 /nfs/dbraw/zinc/33/84/91/500338491.db2.gz JWAFDKKQVHIDRP-ZMVGRULKSA-N 2 0 370.512 3.448 20 0 FGADRP CCOC(=O)C1([C@H](C)[NH2+][C@H]2CC[C@H](c3ccc(F)cc3)C2)CC[NH2+]CC1 ZINC000423081042 500340161 /nfs/dbraw/zinc/34/01/61/500340161.db2.gz AWMJLGTWBLGJDA-IEZWGBDMSA-N 2 0 362.489 3.373 20 0 FGADRP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1ccc(I)c(Cl)c1 ZINC000423117653 500344823 /nfs/dbraw/zinc/34/48/23/500344823.db2.gz WKXVGFNWCVSHFX-DTWKUNHWSA-N 2 0 352.647 3.160 20 0 FGADRP CC[C@@H](NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2)[C@@H]1CCC[NH2+]1 ZINC000423127567 500345810 /nfs/dbraw/zinc/34/58/10/500345810.db2.gz CCKWTZKFFOLJIJ-BDTNDASRSA-N 3 0 371.569 3.035 20 0 FGADRP C[C@H](NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2)[C@H]1CCCC[NH2+]1 ZINC000423127653 500346093 /nfs/dbraw/zinc/34/60/93/500346093.db2.gz CGTQQNWQFLFDLL-ILWGZMRPSA-N 3 0 371.569 3.035 20 0 FGADRP Fc1ccccc1N1CC[C@H]([NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000423132248 500346704 /nfs/dbraw/zinc/34/67/04/500346704.db2.gz PCCHXUPOTUHPMR-DKZVUGQWSA-N 2 0 367.468 3.250 20 0 FGADRP C[C@H]([NH2+]C1CCN(Cc2cccc(Br)c2)CC1)[C@H]1CCC[NH2+]1 ZINC000423175822 500351582 /nfs/dbraw/zinc/35/15/82/500351582.db2.gz FGJQQSJDYVVARO-KBXCAEBGSA-N 2 0 366.347 3.144 20 0 FGADRP COc1ccccc1-c1ccc([C@H](C)[NH2+]CCCN2CC[NH2+]CC2)cc1 ZINC000423182642 500352840 /nfs/dbraw/zinc/35/28/40/500352840.db2.gz QTFCELTWJGMTJJ-SFHVURJKSA-N 2 0 353.510 3.308 20 0 FGADRP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CN[C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000423190539 500353508 /nfs/dbraw/zinc/35/35/08/500353508.db2.gz SAIRUQLSFGNMPB-HGSOSGBHSA-N 2 0 365.521 3.258 20 0 FGADRP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]C1)c1ccc(I)cc1 ZINC000423217791 500356218 /nfs/dbraw/zinc/35/62/18/500356218.db2.gz QLAKAJUNZBLUEO-OBJOEFQTSA-N 2 0 358.267 3.330 20 0 FGADRP FC(F)(F)c1ccn(-c2ccc(C[N@@H+]3CC[C@H]4[NH2+]CC[C@@H]4C3)cc2)n1 ZINC000427135211 500357633 /nfs/dbraw/zinc/35/76/33/500357633.db2.gz IBGBVYCZVPDBEG-GDBMZVCRSA-N 2 0 350.388 3.075 20 0 FGADRP C[C@@H]([NH2+]CC[C@@H]1CCC[NH2+]C1)c1ccc(I)cc1 ZINC000423262511 500359121 /nfs/dbraw/zinc/35/91/21/500359121.db2.gz VOMCEEQYJPPDJX-OLZOCXBDSA-N 2 0 358.267 3.332 20 0 FGADRP C[C@H]([NH3+])c1ccc(C[NH2+][C@@H](C)[C@@H](c2ccccc2)N2CCOCC2)cc1 ZINC000423290108 500361743 /nfs/dbraw/zinc/36/17/43/500361743.db2.gz CKHWPALETJETLQ-SPEDKVCISA-N 2 0 353.510 3.258 20 0 FGADRP [NH3+][C@H](CC1CCCCC1)C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000423327845 500364563 /nfs/dbraw/zinc/36/45/63/500364563.db2.gz KIJJGSSYPYHLRI-OAQYLSRUSA-N 2 0 357.542 3.107 20 0 FGADRP C[C@H]([NH3+])c1ccc(C(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)cc1 ZINC000423362376 500367644 /nfs/dbraw/zinc/36/76/44/500367644.db2.gz SXHZLCOEDJCDKC-HKUYNNGSSA-N 2 0 351.494 3.001 20 0 FGADRP C[C@H]([NH3+])c1ccc(C(=O)NCC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000423372499 500368135 /nfs/dbraw/zinc/36/81/35/500368135.db2.gz VULWHXSMLRHWDM-KRWDZBQOSA-N 2 0 351.494 3.348 20 0 FGADRP C[C@H]([NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1cc2c(s1)CCCC2 ZINC000423385467 500369459 /nfs/dbraw/zinc/36/94/59/500369459.db2.gz KRZBMBNSILSBCF-LRDDRELGSA-N 2 0 361.477 3.114 20 0 FGADRP C[C@@H](CCc1ccc(I)cc1)[NH2+][C@@H]1CC[NH2+][C@H](C)C1 ZINC000423388081 500369571 /nfs/dbraw/zinc/36/95/71/500369571.db2.gz SXRDBLKNSCKRAF-WOSRLPQWSA-N 2 0 372.294 3.342 20 0 FGADRP CC(C)[C@H](C(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2)[C@@H](C)[NH3+] ZINC000423396096 500370140 /nfs/dbraw/zinc/37/01/40/500370140.db2.gz RGXDUJVUONNUIN-KAGYGMCKSA-N 2 0 357.542 3.121 20 0 FGADRP Cc1cc2c(cc1C)[C@H]([NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F)CCS2 ZINC000423397165 500370326 /nfs/dbraw/zinc/37/03/26/500370326.db2.gz UKAFAEVNYCVDFX-WBVHZDCISA-N 2 0 373.488 3.266 20 0 FGADRP COCC1(C[NH2+][C@H]2CCc3c2ccc(F)c3Br)CC[NH2+]CC1 ZINC000423407676 500371598 /nfs/dbraw/zinc/37/15/98/500371598.db2.gz MXULOERICMBUMP-HNNXBMFYSA-N 2 0 371.294 3.181 20 0 FGADRP COC[C@]1(CN[C@@H](Cc2cccnc2)c2ccc(Cl)cc2)CCC[NH2+]1 ZINC000423408887 500371641 /nfs/dbraw/zinc/37/16/41/500371641.db2.gz BAZOUUGKNTZPBE-VQTJNVASSA-N 2 0 359.901 3.377 20 0 FGADRP C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)C[C@H]3CCC[NH2+]CC3)cc2)C1 ZINC000427277637 500376787 /nfs/dbraw/zinc/37/67/87/500376787.db2.gz YNXHYJFCEGMIJQ-OALUTQOASA-N 2 0 357.542 3.315 20 0 FGADRP C[C@H]([NH2+]C[C@H]1CCC[C@H]([NH3+])C1)c1ccccc1I ZINC000423475091 500377285 /nfs/dbraw/zinc/37/72/85/500377285.db2.gz ZUDJPIVOFNBKBA-AVGNSLFASA-N 2 0 358.267 3.459 20 0 FGADRP COC(=O)C[C@@H]1CC[C@H]([NH2+]C[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)[C@H]1C ZINC000423481933 500378123 /nfs/dbraw/zinc/37/81/23/500378123.db2.gz XDGYXNYCUDYPPJ-LPXKSRHMSA-N 2 0 362.489 3.086 20 0 FGADRP C[C@@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)c1ccc(OC(F)(F)F)cc1 ZINC000423518759 500381912 /nfs/dbraw/zinc/38/19/12/500381912.db2.gz PHVXOJULZBRTIR-ODIFPOPNSA-N 2 0 371.447 3.452 20 0 FGADRP Fc1ccc([C@@H]([NH2+]C2CCC(N3CC[NH2+]CC3)CC2)c2ccccc2)nc1 ZINC000423525272 500382234 /nfs/dbraw/zinc/38/22/34/500382234.db2.gz YAJAOKBNUQWUNA-AOMIVXANSA-N 2 0 368.500 3.116 20 0 FGADRP [NH3+]C1(CNC2CC[NH+](CCC(F)(F)F)CC2)C2CC3CC(C2)CC1C3 ZINC000423531780 500382945 /nfs/dbraw/zinc/38/29/45/500382945.db2.gz UFJFWZNXSFMZTM-UHFFFAOYSA-N 2 0 359.480 3.146 20 0 FGADRP [NH3+]Cc1cc(C(=O)N(CC[NH+]2CCCC2)Cc2ccc(Cl)cc2)co1 ZINC000423757030 500399733 /nfs/dbraw/zinc/39/97/33/500399733.db2.gz MAZQNEAGRRRZPA-UHFFFAOYSA-N 2 0 361.873 3.130 20 0 FGADRP CC(C)[C@@H]([NH3+])C(=O)NC1CCN(Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000423817790 500405477 /nfs/dbraw/zinc/40/54/77/500405477.db2.gz ZORWEOCUEQEKRU-MRXNPFEDSA-N 2 0 358.313 3.057 20 0 FGADRP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)[C@@H]2CCCCCC[C@H]2[NH3+])CC1 ZINC000423839862 500410287 /nfs/dbraw/zinc/41/02/87/500410287.db2.gz DNGAERPANBDCKM-NSISKUIASA-N 2 0 358.530 3.021 20 0 FGADRP C[C@H](CC(=O)N[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)C1CC[NH2+]CC1 ZINC000423878449 500415282 /nfs/dbraw/zinc/41/52/82/500415282.db2.gz UMYCWVUEOMQPBS-LVCYWYKZSA-N 2 0 357.542 3.039 20 0 FGADRP O=C(CC[C@@H]1CCC[NH2+]1)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000423898315 500417262 /nfs/dbraw/zinc/41/72/62/500417262.db2.gz IEJUKOSECBRXFA-ACRUOGEOSA-N 2 0 355.526 3.032 20 0 FGADRP CC[C@@H](C(=O)N[C@H](CCC[NH3+])c1ccccc1)[N@H+](C)Cc1ccccc1 ZINC000423961105 500424979 /nfs/dbraw/zinc/42/49/79/500424979.db2.gz DLECGYWTCIKQQP-RTWAWAEBSA-N 2 0 353.510 3.493 20 0 FGADRP CCC[NH+](CCC)CCCC(=O)Nc1nc(C2CC[NH2+]CC2)cs1 ZINC000423978775 500428751 /nfs/dbraw/zinc/42/87/51/500428751.db2.gz NWEZQGXRLDIRPO-UHFFFAOYSA-N 2 0 352.548 3.451 20 0 FGADRP CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)CC[C@H]1CCCC[NH+]1C ZINC000431852934 500434433 /nfs/dbraw/zinc/43/44/33/500434433.db2.gz CEIJEPHYIODHLW-NHCUHLMSSA-N 2 0 357.542 3.231 20 0 FGADRP CC[NH+](CC)C[C@H]1CCCC[C@H]1NC(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000431867492 500436415 /nfs/dbraw/zinc/43/64/15/500436415.db2.gz ZQQILZSOMCQVHR-NHCUHLMSSA-N 2 0 374.573 3.448 20 0 FGADRP COc1ccc([C@@H](C[NH3+])C[N@@H+]2CCC[C@H]2c2ccc3c(c2)OCO3)cc1 ZINC000420302545 500437509 /nfs/dbraw/zinc/43/75/09/500437509.db2.gz MOMSUPLVGUHOHZ-HKUYNNGSSA-N 2 0 354.450 3.303 20 0 FGADRP C[C@@H]([NH3+])[C@@H]1CC[N@H+](Cc2ccnc(-c3ccc(Br)cc3)n2)C1 ZINC000420306460 500438425 /nfs/dbraw/zinc/43/84/25/500438425.db2.gz LBBTYRGJEJVCNS-TZMCWYRMSA-N 2 0 361.287 3.075 20 0 FGADRP CCCCS[C@H](C)C(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000424025583 500438998 /nfs/dbraw/zinc/43/89/98/500438998.db2.gz ZMLJCQKNNSQDTO-QGZVFWFLSA-N 2 0 363.571 3.018 20 0 FGADRP COc1ccc([C@H](C[NH3+])C[N@H+](C)[C@@H]2CCCN(c3ccccc3)C2)cc1 ZINC000420317831 500440697 /nfs/dbraw/zinc/44/06/97/500440697.db2.gz NGHGNKGDWREZMC-TZIWHRDSSA-N 2 0 353.510 3.338 20 0 FGADRP C[C@H](C(=O)N1CCC[C@@H]1c1cccs1)[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420324629 500441747 /nfs/dbraw/zinc/44/17/47/500441747.db2.gz HLAUOAOGWDZMQS-ZJPYXAASSA-N 2 0 361.555 3.122 20 0 FGADRP C[C@@H](c1cccc(Br)c1)[N@@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000420328391 500442340 /nfs/dbraw/zinc/44/23/40/500442340.db2.gz MJHTXSGDJJKYEW-DZGCQCFKSA-N 2 0 353.304 3.197 20 0 FGADRP O=C([C@H](c1ccccc1)[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)N1CCCCC1 ZINC000420330549 500442487 /nfs/dbraw/zinc/44/24/87/500442487.db2.gz AUQXNJFNIZRBCA-HBMCJLEFSA-N 2 0 355.526 3.062 20 0 FGADRP O=C(c1ccc(Cl)cc1Cl)N1CC[NH+](CC[C@H]2CCC[NH2+]C2)CC1 ZINC000420327825 500442643 /nfs/dbraw/zinc/44/26/43/500442643.db2.gz YXCHICDYOYLXAP-CQSZACIVSA-N 2 0 370.324 3.141 20 0 FGADRP CCOc1ccccc1[C@H](CC)NC(=O)C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000420334617 500443352 /nfs/dbraw/zinc/44/33/52/500443352.db2.gz JMLSLHAZDYXIOZ-VQTJNVASSA-N 2 0 373.541 3.117 20 0 FGADRP Cc1ccc([C@@H](NC(=O)C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)C2CC2)cc1 ZINC000420336516 500444146 /nfs/dbraw/zinc/44/41/46/500444146.db2.gz ISMKWPLRWZLGKS-RBBKRZOGSA-N 2 0 355.526 3.026 20 0 FGADRP CCc1ccc([C@H](C)NC(=O)[C@@H](C)[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)cc1 ZINC000420340610 500444951 /nfs/dbraw/zinc/44/49/51/500444951.db2.gz MVXISEXFIQOIQH-CSODHUTKSA-N 2 0 357.542 3.279 20 0 FGADRP C[C@H](C(=O)Nc1cc(Cl)ccc1F)[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420344435 500445392 /nfs/dbraw/zinc/44/53/92/500445392.db2.gz SXPVTJPAZCAWTO-MCIONIFRSA-N 2 0 353.869 3.128 20 0 FGADRP O=C(CC[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)Nc1cccc2ccccc21 ZINC000420346982 500446092 /nfs/dbraw/zinc/44/60/92/500446092.db2.gz ZPJSQQMSTAYQJI-RTBURBONSA-N 2 0 351.494 3.490 20 0 FGADRP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](CCOc2ccc(F)cc2Cl)CC1 ZINC000420376568 500449793 /nfs/dbraw/zinc/44/97/93/500449793.db2.gz JZAZABGHDZSLHB-AEFFLSMTSA-N 2 0 356.869 3.076 20 0 FGADRP COc1ccc([C@@H](C[NH3+])C[N@@H+]2CCC[C@H]2Cn2cnc3ccccc32)cc1 ZINC000420373710 500450034 /nfs/dbraw/zinc/45/00/34/500450034.db2.gz MXYKRJNDFRPDFU-OALUTQOASA-N 2 0 364.493 3.252 20 0 FGADRP [NH3+][C@@H](CCC(=O)NC1CC[NH+](Cc2cccnc2)CC1)CC1CCCCC1 ZINC000424168013 500462800 /nfs/dbraw/zinc/46/28/00/500462800.db2.gz FNPAYHVVLDGWKC-FQEVSTJZSA-N 2 0 372.557 3.240 20 0 FGADRP CCCCNC(=O)C1([NH2+]Cc2cn(-c3cc[nH+]cc3)nc2C)CCCCC1 ZINC000428077079 500465759 /nfs/dbraw/zinc/46/57/59/500465759.db2.gz DPXHHHQYUPQLQP-UHFFFAOYSA-N 2 0 369.513 3.285 20 0 FGADRP CCN(C(=O)C[N@@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2)[C@H](C)c1ccc(F)cc1 ZINC000424296837 500483597 /nfs/dbraw/zinc/48/35/97/500483597.db2.gz SJBMSTRCAKDXRP-DLBZAZTESA-N 2 0 361.505 3.199 20 0 FGADRP C[C@@H](c1cc2ccccc2o1)N(C)C(=O)C[N@@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424302407 500483751 /nfs/dbraw/zinc/48/37/51/500483751.db2.gz ZJXNTOCTCXAUKB-SJORKVTESA-N 2 0 369.509 3.416 20 0 FGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@H](C)c2ccc(OC)cc2Cl)CC1 ZINC000424309168 500484660 /nfs/dbraw/zinc/48/46/60/500484660.db2.gz HZOHQHAWEUNZHY-JKSUJKDBSA-N 2 0 353.938 3.273 20 0 FGADRP CC(C)[C@H](C[NH2+]Cc1ccc(F)c(Cl)c1Cl)N1CC[NH+](C)CC1 ZINC000432230005 500486833 /nfs/dbraw/zinc/48/68/33/500486833.db2.gz WYAZNBKAQDINER-HNNXBMFYSA-N 2 0 362.320 3.494 20 0 FGADRP Cc1cccc(N2CC[NH+](CCCC[NH2+]C3CC(OC(C)C)C3)CC2)c1 ZINC000428257055 500487941 /nfs/dbraw/zinc/48/79/41/500487941.db2.gz ASKKCAKQTFHCIS-UHFFFAOYSA-N 2 0 359.558 3.443 20 0 FGADRP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1cc(Cl)cc(I)c1 ZINC000424378284 500493805 /nfs/dbraw/zinc/49/38/05/500493805.db2.gz NNZKHJMCRHUYOL-IUCAKERBSA-N 2 0 352.647 3.160 20 0 FGADRP C[C@@H](CCc1ccc(I)cc1)[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000424380793 500494396 /nfs/dbraw/zinc/49/43/96/500494396.db2.gz XUHBQSNXMADOBU-APHBMKBZSA-N 2 0 372.294 3.472 20 0 FGADRP Cc1cc(CNC(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)cc(C)n1 ZINC000420773883 500497587 /nfs/dbraw/zinc/49/75/87/500497587.db2.gz BMDNSELSWYLRRC-UHFFFAOYSA-N 2 0 370.472 3.301 20 0 FGADRP CN(C[C@H]1CCC[N@@H+]1C)C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)CC1(C)C ZINC000420856053 500516519 /nfs/dbraw/zinc/51/65/19/500516519.db2.gz CHFAXSOYKVTFOL-WOJBJXKFSA-N 2 0 372.557 3.023 20 0 FGADRP C[C@H]([NH2+]Cc1cccc(CN2CCOCC2)c1)[C@@H]1COc2ccccc21 ZINC000420922927 500531054 /nfs/dbraw/zinc/53/10/54/500531054.db2.gz OUDWUUCNEGCULF-UWJYYQICSA-N 2 0 352.478 3.173 20 0 FGADRP Cc1noc(C[C@H]([NH2+]Cc2cn(-c3cc[nH+]cc3)nc2C)c2ccccc2)n1 ZINC000428648274 500537577 /nfs/dbraw/zinc/53/75/77/500537577.db2.gz CXUOQYNWIAJIRH-FQEVSTJZSA-N 2 0 374.448 3.341 20 0 FGADRP CC[N@@H+]1CCCN(C(=O)NC[C@@H](CC(C)C)[NH2+][C@H](C)c2ccccc2)CC1 ZINC000428690809 500544278 /nfs/dbraw/zinc/54/42/78/500544278.db2.gz LSJCOUKOOUOOAF-TZIWHRDSSA-N 2 0 374.573 3.489 20 0 FGADRP CC[NH+]1CCC(N2CCC[N@H+](CCO[C@H]3CCCC[C@@H]3C)CC2)CC1 ZINC000420984868 500549106 /nfs/dbraw/zinc/54/91/06/500549106.db2.gz UYUZTEGFIMYTRS-FPOVZHCZSA-N 2 0 351.579 3.074 20 0 FGADRP COC1(C[NH2+]Cc2ccc(C[N@H+]3C[C@H](C)C[C@H](C)C3)cc2)CCOCC1 ZINC000428848836 500565444 /nfs/dbraw/zinc/56/54/44/500565444.db2.gz KAQDDFNZGJQABJ-KDURUIRLSA-N 2 0 360.542 3.450 20 0 FGADRP C[C@H]1C[C@H](N(C)C(=O)NCC[NH+]2CCC3(CCCCC3)CC2)CC[N@@H+]1C ZINC000442593977 500602586 /nfs/dbraw/zinc/60/25/86/500602586.db2.gz KAZLKAZFSRWKIN-RBUKOAKNSA-N 2 0 364.578 3.157 20 0 FGADRP C[C@@H](C[NH2+][C@@H](Cc1ccc(F)cc1)c1ccccc1)N1CC[NH+](C)CC1 ZINC000447543388 500621074 /nfs/dbraw/zinc/62/10/74/500621074.db2.gz LLCJDYJACMXCBV-AVRDEDQJSA-N 2 0 355.501 3.335 20 0 FGADRP C[NH+]1CCC(C[NH2+][C@@H]2Cc3[nH]c4ccccc4c3C2)(N2CCCCC2)CC1 ZINC000442766826 500622819 /nfs/dbraw/zinc/62/28/19/500622819.db2.gz LQZHQVKMCLUTMF-SFHVURJKSA-N 2 0 366.553 3.175 20 0 FGADRP C[NH+]1CCC(O)(C[NH2+][C@@H]2CC[C@@H](c3ccc(C(F)(F)F)cc3)C2)CC1 ZINC000442788912 500626466 /nfs/dbraw/zinc/62/64/66/500626466.db2.gz GDNIQXXRWKVYBZ-NVXWUHKLSA-N 2 0 356.432 3.388 20 0 FGADRP C[C@H]1CCCCN1C(=O)C[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433126196 500631707 /nfs/dbraw/zinc/63/17/07/500631707.db2.gz NKFBHMGPRSXPQP-FQEVSTJZSA-N 2 0 369.553 3.376 20 0 FGADRP Cc1c(NC(=O)CCC[NH+]2CCC([NH3+])CC2)cccc1OCC(F)(F)F ZINC000433128803 500632228 /nfs/dbraw/zinc/63/22/28/500632228.db2.gz XUNBNTWWKYDVMR-UHFFFAOYSA-N 2 0 373.419 3.078 20 0 FGADRP Cc1ccc(-c2ccncc2)cc1NC(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433135250 500632872 /nfs/dbraw/zinc/63/28/72/500632872.db2.gz IMMVENXUXNOREH-UHFFFAOYSA-N 2 0 352.482 3.199 20 0 FGADRP COc1ccc(N(C(=O)CCC[NH+]2CCC([NH3+])CC2)[C@@H](C)C2CC2)cc1 ZINC000433134960 500633157 /nfs/dbraw/zinc/63/31/57/500633157.db2.gz HUWNYLLMQNPOCX-INIZCTEOSA-N 2 0 359.514 3.030 20 0 FGADRP CC(C)Cn1ccc2cc(NC(=O)CCC[NH+]3CCC([NH3+])CC3)ccc21 ZINC000433139386 500633840 /nfs/dbraw/zinc/63/38/40/500633840.db2.gz XAUNSPDBUUKEFI-UHFFFAOYSA-N 2 0 356.514 3.439 20 0 FGADRP CC[C@H]1CN(C(=O)CCC[NH+]2CCC([NH3+])CC2)CC[C@@H]1c1ccccc1 ZINC000433159195 500636586 /nfs/dbraw/zinc/63/65/86/500636586.db2.gz LJHDQSVGVTWYIS-RXVVDRJESA-N 2 0 357.542 3.232 20 0 FGADRP C[N@@H+]1CCN(CC[NH2+][C@@H]2CCc3ccc(OC(F)(F)F)cc32)CC1(C)C ZINC000442868805 500637006 /nfs/dbraw/zinc/63/70/06/500637006.db2.gz CZAPWXUDJVXEJV-QGZVFWFLSA-N 2 0 371.447 3.188 20 0 FGADRP C[C@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)c1ccc(Br)c(F)c1 ZINC000442872223 500637074 /nfs/dbraw/zinc/63/70/74/500637074.db2.gz HXAINLBEHPIZDU-ZDUSSCGKSA-N 2 0 372.326 3.265 20 0 FGADRP CC(C)[C@@H](NC(=O)CCC[NH+]1CCC([NH3+])CC1)c1ccccc1Cl ZINC000433170620 500638430 /nfs/dbraw/zinc/63/84/30/500638430.db2.gz YFZSKXBWRIJRAK-LJQANCHMSA-N 2 0 351.922 3.357 20 0 FGADRP C[N@H+](CC1CC1)C[C@H]1CC[NH+](C[C@H](O)Cc2ccc(C(F)(F)F)cc2)C1 ZINC000437575775 500662746 /nfs/dbraw/zinc/66/27/46/500662746.db2.gz BGMBAAOITOSVFS-IEBWSBKVSA-N 2 0 370.459 3.273 20 0 FGADRP C[C@H](NC(=O)N(CC[NH+](C)C)CC1CCCCC1)C(C)(C)C[NH+](C)C ZINC000443679114 500754993 /nfs/dbraw/zinc/75/49/93/500754993.db2.gz FDRXBCYNZDLVGO-KRWDZBQOSA-N 2 0 354.583 3.116 20 0 FGADRP O=C([C@@H]1CC[N@@H+](C2CCCCC2)C1)N1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000448449117 500761145 /nfs/dbraw/zinc/76/11/45/500761145.db2.gz PCUIHGFLEWTQNI-UEXGIBASSA-N 2 0 359.558 3.116 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CC[NH+]([C@@H](C)c3ccccc3)C2)[C@H](C)C1 ZINC000448468112 500762341 /nfs/dbraw/zinc/76/23/41/500762341.db2.gz UAMWYAGBCUVOAE-JYRKZWEQSA-N 2 0 372.557 3.194 20 0 FGADRP CCCCN(C)C[C@H](C)[NH2+]C1CCC(N2C(=O)c3ccccc3C2=O)CC1 ZINC000570718677 506215079 /nfs/dbraw/zinc/21/50/79/506215079.db2.gz COKXRGCKGBYKOR-AOCRQIFASA-N 2 0 371.525 3.304 20 0 FGADRP C[C@H]([NH2+]C(C)(C)CNC(=O)NC[C@H]1CCCC[N@@H+]1C1CC1)c1ccccc1 ZINC000434348018 500829627 /nfs/dbraw/zinc/82/96/27/500829627.db2.gz CXVJSNWVLCKYJQ-FXAWDEMLSA-N 2 0 372.557 3.432 20 0 FGADRP CCOc1ccccc1OCC[N@H+](C)C[C@@H]1CCN(C)[C@H]1c1cccnc1 ZINC000434750114 500889003 /nfs/dbraw/zinc/88/90/03/500889003.db2.gz XXURAODOLMEJRH-UGKGYDQZSA-N 2 0 369.509 3.484 20 0 FGADRP CC(C)[C@H]1CCC[N@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000444751408 500892218 /nfs/dbraw/zinc/89/22/18/500892218.db2.gz OXNIXHBZEMUCPC-NRFANRHFSA-N 2 0 357.542 3.267 20 0 FGADRP C[C@H]1CC(C)(C)C[C@@H]1[NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000434778058 500893513 /nfs/dbraw/zinc/89/35/13/500893513.db2.gz ROAKLBBIRYSIRX-PXNSSMCTSA-N 2 0 357.542 3.427 20 0 FGADRP COc1cccc2c(C[NH+]3CCC(C[NH+]4CCOCC4)CC3)cccc12 ZINC000449008461 500894921 /nfs/dbraw/zinc/89/49/21/500894921.db2.gz DOZDGSBXGKCBAH-UHFFFAOYSA-N 2 0 354.494 3.393 20 0 FGADRP COc1cccc2c(C[N@@H+]3CC[C@@H](N4CC[NH+](C)CC4)[C@H](C)C3)cccc12 ZINC000449036099 500907367 /nfs/dbraw/zinc/90/73/67/500907367.db2.gz ITDSQXBZDHQPNQ-XMSQKQJNSA-N 2 0 367.537 3.306 20 0 FGADRP CC(C)(C)CC(C)(C)[NH+]1CCC(NCCC[NH+]2CCC(O)CC2)CC1 ZINC000449094736 500923616 /nfs/dbraw/zinc/92/36/16/500923616.db2.gz TWVMQJGPBGKFIR-UHFFFAOYSA-N 2 0 353.595 3.102 20 0 FGADRP CCCC[NH+]1CCC([NH2+]C[C@@H](C)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC000449097867 500924761 /nfs/dbraw/zinc/92/47/61/500924761.db2.gz GEEXNLXPMCCDER-MRXNPFEDSA-N 2 0 352.544 3.048 20 0 FGADRP CC[NH+]1CCN(c2ccccc2C[NH+]2CCC(n3ccc(C)n3)CC2)CC1 ZINC000435040742 500925519 /nfs/dbraw/zinc/92/55/19/500925519.db2.gz MZGQXHVKKJJERV-UHFFFAOYSA-N 2 0 367.541 3.171 20 0 FGADRP COc1cc2ccccc2cc1C[NH2+]CC1CC[NH+](CCN(C)C)CC1 ZINC000449129964 500931173 /nfs/dbraw/zinc/93/11/73/500931173.db2.gz DYFOQGMUPLVNMH-UHFFFAOYSA-N 2 0 355.526 3.212 20 0 FGADRP COc1nccc(C[NH2+]CC2CC[NH+](Cc3ccccc3Cl)CC2)n1 ZINC000449128389 500931190 /nfs/dbraw/zinc/93/11/90/500931190.db2.gz RXAGGYKHGLSLLX-UHFFFAOYSA-N 2 0 360.889 3.140 20 0 FGADRP CC[N@H+](C)Cc1cccc(C[NH2+]C[C@@H](C)c2ccc(S(C)(=O)=O)cc2)c1 ZINC000449131703 500931943 /nfs/dbraw/zinc/93/19/43/500931943.db2.gz OYUZWZWWRXCOPF-QGZVFWFLSA-N 2 0 374.550 3.435 20 0 FGADRP C[NH+](C)C1(CNC2CC[NH+](C(C)(C)CC(C)(C)C)CC2)CCOCC1 ZINC000449152059 500936181 /nfs/dbraw/zinc/93/61/81/500936181.db2.gz CQYLPLDFSGNKPY-UHFFFAOYSA-N 2 0 353.595 3.366 20 0 FGADRP CC(C)[NH+]1CCC(O)(C[NH2+]C2CC[NH+](C(C)(C)CC(C)(C)C)CC2)CC1 ZINC000449196870 500945596 /nfs/dbraw/zinc/94/55/96/500945596.db2.gz ZNMMOJGPODOQDN-UHFFFAOYSA-N 3 0 367.622 3.491 20 0 FGADRP Cc1cccn2cc(COc3ccc(C[N@H+]4CC[C@@H]([C@H](C)[NH3+])C4)cc3)nc12 ZINC000435373377 500962412 /nfs/dbraw/zinc/96/24/12/500962412.db2.gz MXQZLOGTJLXSRK-PKOBYXMFSA-N 2 0 364.493 3.391 20 0 FGADRP Cc1cccn2cc(COc3ccc(C[N@@H+]4CC[C@H]([NH3+])[C@H](C)C4)cc3)nc12 ZINC000435376683 500963185 /nfs/dbraw/zinc/96/31/85/500963185.db2.gz SYNKWYHXXOCMAK-UTKZUKDTSA-N 2 0 364.493 3.391 20 0 FGADRP C[C@@H]([NH3+])[C@@H]1CCCN(Cc2cn(-c3cccc(Cl)c3Cl)nn2)C1 ZINC000435385878 500965374 /nfs/dbraw/zinc/96/53/74/500965374.db2.gz RYHDNAKTMLPPRN-VXGBXAGGSA-N 2 0 354.285 3.133 20 0 FGADRP CC[NH+](CC)CC1CCN(C(=O)NC[C@H]2CCCC[N@@H+]2CC(C)C)CC1 ZINC000440181226 500985202 /nfs/dbraw/zinc/98/52/02/500985202.db2.gz CCQCUQNSOVUKKL-HXUWFJFHSA-N 2 0 366.594 3.260 20 0 FGADRP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]C[C@H](O)Cc2cccc(F)c2)CC1 ZINC000449363706 500987560 /nfs/dbraw/zinc/98/75/60/500987560.db2.gz QIKQUMZNLOYUOK-FDDCHVKYSA-N 2 0 370.512 3.414 20 0 FGADRP CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC000440263811 500992335 /nfs/dbraw/zinc/99/23/35/500992335.db2.gz GEIFEWNSTDVOAM-IRLDBZIGSA-N 2 0 369.553 3.374 20 0 FGADRP C[C@H](C[S@](C)=O)[NH2+]C[C@@]1(C(C)(C)C)CC[N@H+](Cc2ccccc2)C1 ZINC000602608069 506229487 /nfs/dbraw/zinc/22/94/87/506229487.db2.gz LSDVJTREPINVDV-YQOVMPOYSA-N 2 0 350.572 3.281 20 0 FGADRP CCCOc1c(OC)cc(CC[NH2+]C2CC[NH+](CC)CC2)cc1OC ZINC000449485373 501014496 /nfs/dbraw/zinc/01/44/96/501014496.db2.gz MHVCVXOUCMNDBA-UHFFFAOYSA-N 2 0 350.503 3.109 20 0 FGADRP CC[NH+]1CCN(c2ccccc2C[NH2+]C[C@@H]2CCO[C@@H](C(C)C)C2)CC1 ZINC000449490704 501015722 /nfs/dbraw/zinc/01/57/22/501015722.db2.gz CLNQONQMLLPIJL-DENIHFKCSA-N 2 0 359.558 3.369 20 0 FGADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+][C@@H]3CCO[C@H](c4ccnn4C)C3)CC2)C1 ZINC000449592574 501039865 /nfs/dbraw/zinc/03/98/65/501039865.db2.gz ODHNAWRGWYUXGR-RBAQFSTRSA-N 2 0 360.546 3.273 20 0 FGADRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2ccc3cc(OC)ccc3c2)CC1 ZINC000449757163 501077349 /nfs/dbraw/zinc/07/73/49/501077349.db2.gz XOKHTWAHPNXYRV-UHFFFAOYSA-N 2 0 355.526 3.354 20 0 FGADRP FC(F)(F)CN1C[C@@H](c2ccccc2)[C@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000449756226 501077535 /nfs/dbraw/zinc/07/75/35/501077535.db2.gz OYVXRZBDSKVLSI-ZSYWTGECSA-N 2 0 367.459 3.233 20 0 FGADRP C[NH+](Cc1ccc(C[N@@H+](C)[C@@H](CO)C(C)(C)C)cc1)[C@@H](CO)C(C)(C)C ZINC000441064997 501082439 /nfs/dbraw/zinc/08/24/39/501082439.db2.gz IXPODNOKLGWNJW-PMACEKPBSA-N 2 0 364.574 3.364 20 0 FGADRP COC[C@@H]1CCC[N@H+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)CC1 ZINC000449781713 501085756 /nfs/dbraw/zinc/08/57/56/501085756.db2.gz XQWVAYZAEUBMBE-LJQANCHMSA-N 2 0 359.558 3.466 20 0 FGADRP C[N@H+](CCN1CC[NH+](C[C@@H]2CCC(F)(F)C2)CC1)Cc1ccccc1 ZINC000450392033 501109849 /nfs/dbraw/zinc/10/98/49/501109849.db2.gz MVZRKGPUHUMBRV-LJQANCHMSA-N 2 0 351.485 3.171 20 0 FGADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2CCOc1cccc2ccccc21 ZINC000441260064 501109930 /nfs/dbraw/zinc/10/99/30/501109930.db2.gz FKUPLLGMJBIPHZ-UZKOGDIHSA-N 2 0 354.494 3.402 20 0 FGADRP C[C@@H](c1ccccc1)[C@@H](O)C[NH+]1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000450472410 501129511 /nfs/dbraw/zinc/12/95/11/501129511.db2.gz FKVHTBSSIXNHHY-UGTOYMOASA-N 2 0 374.569 3.362 20 0 FGADRP COc1c(Cl)cc(Cl)cc1C[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000441375113 501129563 /nfs/dbraw/zinc/12/95/63/501129563.db2.gz APYJKHMAJILCSP-UHFFFAOYSA-N 2 0 360.329 3.118 20 0 FGADRP C[NH+](C)CCc1ccccc1NC(=O)N1CC[NH+](CCC(C)(C)C)CC1 ZINC000446590612 501138768 /nfs/dbraw/zinc/13/87/68/501138768.db2.gz FEWMUJONLDGPQD-UHFFFAOYSA-N 2 0 360.546 3.376 20 0 FGADRP CC[N@H+](CCC1CCN(C(=O)NCC2([NH+](C)C)CCC2)CC1)CC(C)C ZINC000446618406 501142101 /nfs/dbraw/zinc/14/21/01/501142101.db2.gz VDHCRXIOAASLOZ-UHFFFAOYSA-N 2 0 366.594 3.260 20 0 FGADRP Cc1ccc([C@H](CCn2cncn2)[NH2+]C[C@@H](C)C[NH+]2CCCCC2)cc1 ZINC000446743283 501160074 /nfs/dbraw/zinc/16/00/74/501160074.db2.gz DOWHTQPNHQGORJ-CTNGQTDRSA-N 2 0 355.530 3.430 20 0 FGADRP C[NH+](C)CCN(Cc1ccco1)C(=O)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000446868782 501175574 /nfs/dbraw/zinc/17/55/74/501175574.db2.gz SZNIDGMGFPULJY-UHFFFAOYSA-N 2 0 364.449 3.044 20 0 FGADRP O=C([C@H]([NH2+]CC1CC[NH+](C2CC2)CC1)c1ccccc1)N1CCCCC1 ZINC000447027844 501195427 /nfs/dbraw/zinc/19/54/27/501195427.db2.gz MPDFPFHAOZPGMC-OAQYLSRUSA-N 2 0 355.526 3.204 20 0 FGADRP CC(C)(CC[NH+]1CCCCCC1)NC(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000447046492 501196768 /nfs/dbraw/zinc/19/67/68/501196768.db2.gz BWEQAWCFDOJVED-UHFFFAOYSA-N 2 0 364.578 3.205 20 0 FGADRP OCC[NH+](Cc1cc(Cl)cc(C[N@@H+](CCO)C2CCC2)c1)C1CCC1 ZINC000450824363 501214150 /nfs/dbraw/zinc/21/41/50/501214150.db2.gz DXRXXXRTYGWLQT-UHFFFAOYSA-N 2 0 366.933 3.034 20 0 FGADRP C[NH+](C)CCc1ccc(CNC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)cc1 ZINC000451056028 501242411 /nfs/dbraw/zinc/24/24/11/501242411.db2.gz NLCJWGYFVOZTTD-NRFANRHFSA-N 2 0 357.542 3.204 20 0 FGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@H](C)c2ncc(-c3ccccc3)n2C)CC1 ZINC000453105114 501270557 /nfs/dbraw/zinc/27/05/57/501270557.db2.gz GWOVTMBQWVUAHG-RBUKOAKNSA-N 2 0 369.557 3.011 20 0 FGADRP Cc1cc([C@@H](C)[NH2+]CCCC[NH+]2CCN(c3ncccn3)CC2)cs1 ZINC000453105480 501270562 /nfs/dbraw/zinc/27/05/62/501270562.db2.gz HNIJRHLDOKIRJB-QGZVFWFLSA-N 2 0 359.543 3.100 20 0 FGADRP Cc1ccccc1C[NH+]1CCC(NC(=O)NC(C)(C)CCC[NH+](C)C)CC1 ZINC000457646065 501276658 /nfs/dbraw/zinc/27/66/58/501276658.db2.gz ZPBJSURBPZIVNG-UHFFFAOYSA-N 2 0 374.573 3.379 20 0 FGADRP C[C@H]1C[N@H+](CCOc2ccc(CC[NH2+][C@H]3CCn4ccnc43)cc2)C[C@H]1C ZINC000453160801 501281853 /nfs/dbraw/zinc/28/18/53/501281853.db2.gz IANIGVVBJCDPIG-UEXGIBASSA-N 2 0 368.525 3.127 20 0 FGADRP C[C@](O)(C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21)C(F)(F)F ZINC000453165139 501282674 /nfs/dbraw/zinc/28/26/74/501282674.db2.gz AYWSDXRCCICYDY-MLHJIOFPSA-N 2 0 356.432 3.333 20 0 FGADRP CC[NH+](CC)CC1CCN(C(=O)NC[C@@H](c2cccs2)[NH+](C)C)CC1 ZINC000611647003 506243916 /nfs/dbraw/zinc/24/39/16/506243916.db2.gz LNRSTLVJLOWQDG-KRWDZBQOSA-N 2 0 366.575 3.114 20 0 FGADRP O=C(C[NH2+][C@H]1CCC12CCCC2)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000451455465 501296337 /nfs/dbraw/zinc/29/63/37/501296337.db2.gz JTXBFDGIVHOCCP-IBGZPJMESA-N 2 0 373.566 3.486 20 0 FGADRP CCc1ccc(CC[N@@H+]2CCC[C@H](CN3CCCN(C(C)=O)CC3)C2)cc1 ZINC000451537690 501316634 /nfs/dbraw/zinc/31/66/34/501316634.db2.gz RTDGIGXZIZVZCR-QHCPKHFHSA-N 2 0 371.569 3.058 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCO[C@H](c3ccncc3)C2)[C@@H](C)C1 ZINC000453361087 501320294 /nfs/dbraw/zinc/32/02/94/501320294.db2.gz QGTGXOKUTMKJAM-NRDMVMEKSA-N 2 0 361.530 3.028 20 0 FGADRP C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000455847113 501399521 /nfs/dbraw/zinc/39/95/21/501399521.db2.gz IRNHKVASYMZXEM-ZTNFWEORSA-N 2 0 356.514 3.326 20 0 FGADRP C[C@H](CNC(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C)[N@@H+]1CCC[C@@H](C)C1 ZINC000455912458 501413922 /nfs/dbraw/zinc/41/39/22/501413922.db2.gz JOIYXPMSQZHHCK-JXXFODFXSA-N 2 0 358.530 3.477 20 0 FGADRP CC[NH+]1CCN(CC(C)(C)[NH2+]CCOc2c(Cl)cccc2Cl)CC1 ZINC000451989417 501414656 /nfs/dbraw/zinc/41/46/56/501414656.db2.gz QNXBNPXASRFNFR-UHFFFAOYSA-N 2 0 374.356 3.378 20 0 FGADRP CN(c1ccccc1)c1ccc(C[NH2+]CCCN2CC[NH+](C)CC2)cc1 ZINC000588261616 506252391 /nfs/dbraw/zinc/25/23/91/506252391.db2.gz FGXMGCNFLRJQFJ-UHFFFAOYSA-N 2 0 352.526 3.182 20 0 FGADRP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CC[C@@]3(C2)CCC[NH+](C)C3)C1 ZINC000458373648 501429997 /nfs/dbraw/zinc/42/99/97/501429997.db2.gz IVOUPEILNNHVAI-RXVVDRJESA-N 2 0 364.578 3.014 20 0 FGADRP C[NH+](C)CCCC(C)(C)NC(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000458438895 501444749 /nfs/dbraw/zinc/44/47/49/501444749.db2.gz ZUCFVVAMSPWXOO-LJQANCHMSA-N 2 0 360.546 3.071 20 0 FGADRP C[C@H]1C[C@H](NC(=O)NC(C)(C)C[NH+]2CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000458481500 501454429 /nfs/dbraw/zinc/45/44/29/501454429.db2.gz DADXPDMJFQDFKR-AZUAARDMSA-N 2 0 372.557 3.213 20 0 FGADRP C[C@@H]1C[C@@H](NC(=O)NCC[C@@H]2CCC[NH+](C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000458495522 501458703 /nfs/dbraw/zinc/45/87/03/501458703.db2.gz MNFOHXSFVMMHPQ-GIVPXCGWSA-N 2 0 372.557 3.071 20 0 FGADRP CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000454206189 501482327 /nfs/dbraw/zinc/48/23/27/501482327.db2.gz FGSIFCLPIXTSJJ-FQEVSTJZSA-N 2 0 360.546 3.058 20 0 FGADRP C[C@@H](CNC(=O)NCc1ccccc1-c1ccc(C[NH+](C)C)cc1)[NH+](C)C ZINC000454223154 501486229 /nfs/dbraw/zinc/48/62/29/501486229.db2.gz FPZZMAQICWSJTA-KRWDZBQOSA-N 2 0 368.525 3.165 20 0 FGADRP Cc1ccccc1[C@H]([C@H](C)NC(=O)NCCCC[N@H+](C)C1CC1)[NH+](C)C ZINC000458759395 501524541 /nfs/dbraw/zinc/52/45/41/501524541.db2.gz GHOYKTJVUDVVIU-PXNSSMCTSA-N 2 0 360.546 3.160 20 0 FGADRP CC[NH+](CC)CC1CCN(C(=O)NCCCCC[NH+]2CCCC2)CC1 ZINC000458857686 501546451 /nfs/dbraw/zinc/54/64/51/501546451.db2.gz SRMFHCWHGPOPJS-UHFFFAOYSA-N 2 0 352.567 3.016 20 0 FGADRP CC(C)[NH+]1CCC(C(=O)N2CC[NH+](C(C)(C)CC(C)(C)C)CC2)CC1 ZINC000456705798 501582414 /nfs/dbraw/zinc/58/24/14/501582414.db2.gz IQBGBLAXZVVBHD-UHFFFAOYSA-N 2 0 351.579 3.466 20 0 FGADRP C[C@H](CCNC(=O)NC1CC[NH+](C2CCC2)CC1)[N@H+](C)Cc1ccccc1 ZINC000454591699 501586456 /nfs/dbraw/zinc/58/64/56/501586456.db2.gz HZABMCYRHPZHRG-GOSISDBHSA-N 2 0 372.557 3.213 20 0 FGADRP CC(C)OC[C@@H](O)C[N@@H+]1CC(C)(C)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000453017191 501602031 /nfs/dbraw/zinc/60/20/31/501602031.db2.gz MSKUJJQPIKZQAF-FCHUYYIVSA-N 2 0 374.569 3.395 20 0 FGADRP CSC[C@H](O)C[N@@H+]1CC(C)(C)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000453027473 501603993 /nfs/dbraw/zinc/60/39/93/501603993.db2.gz VMWKMDSTFJYLSJ-WOJBJXKFSA-N 2 0 362.583 3.333 20 0 FGADRP CC[NH+](CC)CC1CC[NH+](Cc2ccccc2N2CCO[C@@H](C)C2)CC1 ZINC000459293652 501626134 /nfs/dbraw/zinc/62/61/34/501626134.db2.gz GAVGBOYJWNAJIW-IBGZPJMESA-N 2 0 359.558 3.466 20 0 FGADRP C[C@H](C(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1)[NH+]1CCCCCC1 ZINC000457094581 501649395 /nfs/dbraw/zinc/64/93/95/501649395.db2.gz ZTOSTCGLEBTFDW-OAHLLOKOSA-N 2 0 363.468 3.126 20 0 FGADRP Cc1cc(C)c(CNC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)cn1 ZINC000454960848 501662202 /nfs/dbraw/zinc/66/22/02/501662202.db2.gz MLFVZIIXJKQQPC-YLJYHZDGSA-N 2 0 352.482 3.161 20 0 FGADRP C(CC[NH+]1CC2(CCC2)[C@@H]2COC[C@H]21)CC[N@@H+]1CC2(CCC2)[C@@H]2COC[C@@H]21 ZINC000459686187 501699055 /nfs/dbraw/zinc/69/90/55/501699055.db2.gz VKZDBIQCMMHEHV-NCYKPQTJSA-N 2 0 374.569 3.159 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)NCC[C@@H]1CCC[N@H+](C)C1)c1ccccc1 ZINC000457457427 501701923 /nfs/dbraw/zinc/70/19/23/501701923.db2.gz NQTKMAIVSPVTHG-AZUAARDMSA-N 2 0 360.546 3.101 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)N1CC[C@@]2(C1)CCC[N@H+](C)C2)c1ccccc1 ZINC000457457447 501702136 /nfs/dbraw/zinc/70/21/36/501702136.db2.gz NROKTAIHGSYTQO-UNMCSNQZSA-N 2 0 372.557 3.197 20 0 FGADRP C[C@@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000459724400 501704284 /nfs/dbraw/zinc/70/42/84/501704284.db2.gz ASZWJLTVCDLRCV-IRXDYDNUSA-N 2 0 365.949 3.399 20 0 FGADRP CC[C@H](C)[NH+]1CCN(C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)CC1 ZINC000457488424 501708799 /nfs/dbraw/zinc/70/87/99/501708799.db2.gz KAULMBKUJYCJPV-DLBZAZTESA-N 2 0 364.559 3.011 20 0 FGADRP C[C@@H]([NH2+]C1(C2CCC2)CCC1)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000459777020 501712556 /nfs/dbraw/zinc/71/25/56/501712556.db2.gz RKGUVXJVQWIASA-GOSISDBHSA-N 2 0 369.553 3.468 20 0 FGADRP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)NC2CC([NH+]3CCCCC3)C2)C1 ZINC000474186090 501735166 /nfs/dbraw/zinc/73/51/66/501735166.db2.gz TXXWQIPSLFBMTB-YYZRRKBYSA-N 2 0 364.578 3.059 20 0 FGADRP CC[NH+](CC)CCSCC(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000467287227 501758476 /nfs/dbraw/zinc/75/84/76/501758476.db2.gz FYRZHYTXTQSTQZ-IBGZPJMESA-N 2 0 369.619 3.032 20 0 FGADRP C[C@@H](C(=O)N(C)[C@H]1CCC[N@H+](Cc2ccccc2)C1)[NH+]1CCCCCC1 ZINC000470669367 501760624 /nfs/dbraw/zinc/76/06/24/501760624.db2.gz JXQGROKOMOWCCB-FPOVZHCZSA-N 2 0 357.542 3.374 20 0 FGADRP Cc1ccccc1[C@@H]([C@H](C)NC(=O)NC1CC[NH+](CC(C)C)CC1)[NH+](C)C ZINC000477877161 501817137 /nfs/dbraw/zinc/81/71/37/501817137.db2.gz KLDXNRAYHALGPU-GHTZIAJQSA-N 2 0 374.573 3.406 20 0 FGADRP C[C@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+]1CCCC2(CCC2)C1 ZINC000470865178 501834792 /nfs/dbraw/zinc/83/47/92/501834792.db2.gz FPCXZNKZZIKLPA-UYAOXDASSA-N 2 0 355.526 3.032 20 0 FGADRP CCOC[C@@H]1CCC[C@H]1[NH2+]CCCN1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000474467831 501846281 /nfs/dbraw/zinc/84/62/81/501846281.db2.gz LIUIFKVEQVUUMJ-BHDDXSALSA-N 2 0 359.558 3.160 20 0 FGADRP CCCC[N@H+](C)C[C@@H](C)NC(=O)N[C@H](C)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000460659753 501888576 /nfs/dbraw/zinc/88/85/76/501888576.db2.gz XQDUFRQYZIHUKV-KURKYZTESA-N 2 0 352.567 3.059 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCc3cnn(C(C)C)c3C2)[C@H](C)C1 ZINC000478148416 501893528 /nfs/dbraw/zinc/89/35/28/501893528.db2.gz YPXNLFJMOPRJCP-RLLQIKCJSA-N 2 0 362.562 3.048 20 0 FGADRP C[C@@H]1CCC[C@](CNC(=O)c2ccc(Nc3cc[nH+]cc3)cc2)([NH+](C)C)C1 ZINC000467958604 501913157 /nfs/dbraw/zinc/91/31/57/501913157.db2.gz KTLQAWGDYMBYJQ-VGSWGCGISA-N 2 0 366.509 3.487 20 0 FGADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H](C)Cc2ccccc2C(F)(F)F)CC1 ZINC000481913280 501916324 /nfs/dbraw/zinc/91/63/24/501916324.db2.gz FAGBTNMRQFIATG-HOTGVXAUSA-N 2 0 357.464 3.252 20 0 FGADRP C[C@H](Cc1ccccc1C(F)(F)F)[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000481915507 501917655 /nfs/dbraw/zinc/91/76/55/501917655.db2.gz WIBKERMOANGJAM-OAHLLOKOSA-N 2 0 357.464 3.252 20 0 FGADRP CC(C)C[C@@H](CNC(=O)N1CCC[N@H+](C)CC1)[NH2+][C@H](C)c1ccccc1 ZINC000468023132 501932853 /nfs/dbraw/zinc/93/28/53/501932853.db2.gz WCLBESKKHJAIEQ-QUCCMNQESA-N 2 0 360.546 3.099 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)CC[NH+]2CCc3ccccc3C2)C1 ZINC000474729807 501936158 /nfs/dbraw/zinc/93/61/58/501936158.db2.gz GTVFECFFAAGXTR-BGYRXZFFSA-N 2 0 371.569 3.309 20 0 FGADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1 ZINC000468066783 501945512 /nfs/dbraw/zinc/94/55/12/501945512.db2.gz YDQXNELUVFBGOR-ROUUACIJSA-N 2 0 370.541 3.030 20 0 FGADRP CC[C@]1(C)CC[N@H+](CC(=O)NC2CC[NH+](Cc3ccccc3C)CC2)C1 ZINC000468126175 501965659 /nfs/dbraw/zinc/96/56/59/501965659.db2.gz XMBUEJRJBIGTPO-JOCHJYFZSA-N 2 0 357.542 3.198 20 0 FGADRP CC[NH+]1CCN(c2cccc(NC(=O)[C@H]3CCC[N@@H+]3C3CCCC3)c2)CC1 ZINC000474831546 501966664 /nfs/dbraw/zinc/96/66/64/501966664.db2.gz LMLHAQNGKCLSFZ-OAQYLSRUSA-N 2 0 370.541 3.174 20 0 FGADRP CC1(C)Cc2occc2[C@@H]([NH2+]CCCN2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000482113428 501978788 /nfs/dbraw/zinc/97/87/88/501978788.db2.gz KOMFPDUZDVCPTI-FQEVSTJZSA-N 2 0 368.525 3.490 20 0 FGADRP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]CCC(=O)Nc1cc(N)ccc1F ZINC000482152686 501991114 /nfs/dbraw/zinc/99/11/14/501991114.db2.gz ACTQMKZUAQOGOO-QAPCUYQASA-N 2 0 364.509 3.227 20 0 FGADRP Cc1ccc(CCC[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H]2CO)cn1 ZINC000474944282 502000755 /nfs/dbraw/zinc/00/07/55/502000755.db2.gz PQFSWJVIUHJSJI-QFIPXVFZSA-N 2 0 353.510 3.069 20 0 FGADRP CC[N@H+](C)Cc1cccc(CNC(=O)CC[NH+]2CCc3ccccc3C2)c1 ZINC000471388687 502009171 /nfs/dbraw/zinc/00/91/71/502009171.db2.gz DYLDIGOBIOIMNI-UHFFFAOYSA-N 2 0 365.521 3.203 20 0 FGADRP C[NH+](C)CCOc1cccc(C[NH2+]CCCc2ccc3c(c2)CCO3)c1 ZINC000482250852 502021101 /nfs/dbraw/zinc/02/11/01/502021101.db2.gz VKWZSEYPFYHIPN-UHFFFAOYSA-N 2 0 354.494 3.284 20 0 FGADRP C[NH+](C)[C@@H](CNC(=O)C[NH2+]C(C)(C)CCc1ccccc1)c1ccccc1 ZINC000475015443 502022047 /nfs/dbraw/zinc/02/20/47/502022047.db2.gz IFLFMWMPCJJLGM-NRFANRHFSA-N 2 0 367.537 3.407 20 0 FGADRP CN1CCC([NH+]2CCC(CC[N@H+](C)C[C@@H](O)C3CCCCC3)CC2)CC1 ZINC000475041548 502031735 /nfs/dbraw/zinc/03/17/35/502031735.db2.gz YVHHUIJHEFZZML-JOCHJYFZSA-N 2 0 365.606 3.056 20 0 FGADRP C[NH+](C)[C@@H](CNC(=O)C[N@@H+]1CC[C@](C)(c2ccccc2)C1)c1ccccc1 ZINC000475042313 502031792 /nfs/dbraw/zinc/03/17/92/502031792.db2.gz WVVAEXPYWMVXNA-GMAHTHKFSA-N 2 0 365.521 3.069 20 0 FGADRP C/C=C\COc1ccc(CC[C@H](C)[NH2+][C@@H](C)CN2CC[NH+](C)CC2)cc1 ZINC000468369720 502039159 /nfs/dbraw/zinc/03/91/59/502039159.db2.gz AEVGXHOTYQNEDZ-XHHZUUQWSA-N 2 0 359.558 3.188 20 0 FGADRP CCCN(CCC[NH+](C)C)C(=O)NCC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC000468381400 502041662 /nfs/dbraw/zinc/04/16/62/502041662.db2.gz HHNWUPCYWNSUKH-UHFFFAOYSA-N 2 0 374.573 3.197 20 0 FGADRP CC[C@H]([NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1)C1CCCCC1 ZINC000482444533 502069466 /nfs/dbraw/zinc/06/94/66/502069466.db2.gz HVGFMBISXRVPMS-FQEVSTJZSA-N 2 0 359.562 3.327 20 0 FGADRP Cc1ccsc1[C@H](C)[NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000482459119 502075444 /nfs/dbraw/zinc/07/54/44/502075444.db2.gz VEFMDPYJHZXICF-KRWDZBQOSA-N 2 0 359.543 3.100 20 0 FGADRP CCN(C(=O)NCC[NH+]1CCC[C@H](C)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475169120 502088401 /nfs/dbraw/zinc/08/84/01/502088401.db2.gz JPLFAYIQHIDAPU-PZJWPPBQSA-N 2 0 372.557 3.024 20 0 FGADRP CCC(C)(C)[NH2+][C@H](C)C(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461429392 502110649 /nfs/dbraw/zinc/11/06/49/502110649.db2.gz NZLGCKGVPVEAOI-MISYRCLQSA-N 2 0 357.542 3.134 20 0 FGADRP CCN(CCC[NH+]1CCCC1)C(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000471843920 502152162 /nfs/dbraw/zinc/15/21/62/502152162.db2.gz GRWHZPCDNCCYHF-UHFFFAOYSA-N 2 0 352.567 3.158 20 0 FGADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000475377142 502154231 /nfs/dbraw/zinc/15/42/31/502154231.db2.gz ZUVJSASPPJSBKA-FVELJTHGSA-N 2 0 364.578 3.203 20 0 FGADRP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000461728494 502182147 /nfs/dbraw/zinc/18/21/47/502182147.db2.gz PAHXAIKTLUXETE-CTNGQTDRSA-N 2 0 372.557 3.167 20 0 FGADRP NC(=O)[C@H]1CCC[N@H+](CCC[NH2+][C@H](CC2CC2)c2ccc(Cl)cc2)C1 ZINC000468828810 502197214 /nfs/dbraw/zinc/19/72/14/502197214.db2.gz FCFMZGSBMSIKHC-PKOBYXMFSA-N 2 0 363.933 3.358 20 0 FGADRP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+][C@H]1CCc2cc(Br)ccc21 ZINC000482897283 502210610 /nfs/dbraw/zinc/21/06/10/502210610.db2.gz XCKMTMWJKVJZAK-WMZOPIPTSA-N 2 0 367.331 3.263 20 0 FGADRP C[C@@H](CNC(=O)N[C@@H](C)[C@@H](c1ccccc1)[NH+](C)C)[N@@H+]1CCCC[C@H]1C ZINC000479270116 502212254 /nfs/dbraw/zinc/21/22/54/502212254.db2.gz DNHIUCSLLVQOHH-LXZJYRNTSA-N 2 0 360.546 3.240 20 0 FGADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC1(C(=O)N(C)C)CCCC1 ZINC000482940251 502222315 /nfs/dbraw/zinc/22/23/15/502222315.db2.gz DEGWXYSLIHYZPT-ICSRJNTNSA-N 2 0 357.542 3.135 20 0 FGADRP CCN(CCC[NH+]1CCCC1)C(=O)NC[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000472109830 502235034 /nfs/dbraw/zinc/23/50/34/502235034.db2.gz DWBIZZGUBWYEFF-QUCCMNQESA-N 2 0 352.567 3.014 20 0 FGADRP Cc1ccccc1[C@H]([C@H](C)NC(=O)NCC[NH+]1CCC(C)CC1)[NH+](C)C ZINC000479396646 502246076 /nfs/dbraw/zinc/24/60/76/502246076.db2.gz VTNUFIYMTQLMEJ-ICSRJNTNSA-N 2 0 360.546 3.017 20 0 FGADRP C[C@@H](CC[NH+](C)C)NC(=O)N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000479502590 502279037 /nfs/dbraw/zinc/27/90/37/502279037.db2.gz PQXKYSBNQDZEIN-ZWKOTPCHSA-N 2 0 352.567 3.013 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N1CC[C@H]([NH+](CC)CC)C1)Cc1ccccc1 ZINC000465522122 502287582 /nfs/dbraw/zinc/28/75/82/502287582.db2.gz BHXGEGAMTNHQNU-SFTDATJTSA-N 2 0 374.573 3.065 20 0 FGADRP C[C@H](C[NH+]1CCCCC1)NC(=O)N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000465532773 502292549 /nfs/dbraw/zinc/29/25/49/502292549.db2.gz GYGLQQWNSGKHDT-WOJBJXKFSA-N 2 0 372.557 3.167 20 0 FGADRP C[C@@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)c1cccc(NS(C)(=O)=O)c1 ZINC000483154203 502295700 /nfs/dbraw/zinc/29/57/00/502295700.db2.gz IGMAKHPQYIJPAV-PBHICJAKSA-N 2 0 355.548 3.075 20 0 FGADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1cc(-c2ccccc2)ns1 ZINC000462087839 502302893 /nfs/dbraw/zinc/30/28/93/502302893.db2.gz KAQMFLGFTSXTCC-UHFFFAOYSA-N 2 0 374.554 3.156 20 0 FGADRP C[N@@H+]1CCN(CCC[NH2+]C/C=C\c2ccncc2)[C@H](c2ccccc2)C1 ZINC000486930007 502306897 /nfs/dbraw/zinc/30/68/97/502306897.db2.gz QNLVLKCLCRBZAQ-GSRQWWPUSA-N 2 0 350.510 3.063 20 0 FGADRP C[C@H]1C[C@@H](N(C)C(=O)NCc2ccccc2C[NH+]2CCCCC2)CC[N@@H+]1C ZINC000465604115 502323309 /nfs/dbraw/zinc/32/33/09/502323309.db2.gz ULESXYCBWJUPGX-RXVVDRJESA-N 2 0 372.557 3.297 20 0 FGADRP CC[NH+](CC)[C@H](C)CNC(=O)N(CC[NH+](C)C)Cc1cccc(Cl)c1 ZINC000472457340 502357475 /nfs/dbraw/zinc/35/74/75/502357475.db2.gz RGJBETOJKBQKAK-MRXNPFEDSA-N 2 0 368.953 3.144 20 0 FGADRP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)[C@@H]1CCCC[NH+]1Cc1ccccc1 ZINC000469345099 502382497 /nfs/dbraw/zinc/38/24/97/502382497.db2.gz QSUMMIYKEGBINK-ZVDOUQERSA-N 2 0 357.542 3.420 20 0 FGADRP CC[C@H](C)[N@H+](C)CCNC(=O)N(CC)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000465854868 502403875 /nfs/dbraw/zinc/40/38/75/502403875.db2.gz MYNHRBUILQHLGL-FPOVZHCZSA-N 2 0 374.573 3.270 20 0 FGADRP C[C@@H]1CCC[C@@](CNC(=O)NCCCCC[NH+]2CCCCC2)([NH+](C)C)C1 ZINC000476206472 502414353 /nfs/dbraw/zinc/41/43/53/502414353.db2.gz RZXSVMLGCAVFFG-TZIWHRDSSA-N 2 0 366.594 3.452 20 0 FGADRP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N[C@@H]1CC[NH+]2CCC[C@H]2C1 ZINC000469434694 502416015 /nfs/dbraw/zinc/41/60/15/502416015.db2.gz SFBDUMWTKQPBQX-HKBOAZHASA-N 2 0 372.557 3.069 20 0 FGADRP CCc1ccc([C@H](CNC(=O)N(C)[C@H]2CC[N@@H+](CC)[C@@H](C)C2)[NH+](C)C)cc1 ZINC000483513099 502417556 /nfs/dbraw/zinc/41/75/56/502417556.db2.gz BGNYTCRBNQEHQL-YYWHXJBOSA-N 2 0 374.573 3.366 20 0 FGADRP COc1cccc2c1CC[C@@H]2[NH2+]CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000480037638 502454442 /nfs/dbraw/zinc/45/44/42/502454442.db2.gz RALSHWQRNBFOOK-QFIPXVFZSA-N 2 0 365.521 3.090 20 0 FGADRP C[C@H]([NH2+]CCN1CC[NH+](Cc2ccccc2)CC1)c1ccc2c(c1)COC2 ZINC000480049941 502457668 /nfs/dbraw/zinc/45/76/68/502457668.db2.gz SNYUYLQEZSADRM-IBGZPJMESA-N 2 0 365.521 3.185 20 0 FGADRP CC[NH+](CC)CCN(Cc1ccccc1)C(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000466033976 502460918 /nfs/dbraw/zinc/46/09/18/502460918.db2.gz DPMZHCZMIKTJNN-QUCCMNQESA-N 2 0 360.546 3.023 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@@H](C2CCCCC2)[NH+](C)C)C[C@H]1C ZINC000483712169 502472889 /nfs/dbraw/zinc/47/28/89/502472889.db2.gz MFDRSXJFFRRHHC-NEWSRXKRSA-N 2 0 352.567 3.011 20 0 FGADRP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N(C)[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000462535420 502478736 /nfs/dbraw/zinc/47/87/36/502478736.db2.gz OTYOYQXVAYLALD-UYAOXDASSA-N 2 0 360.546 3.021 20 0 FGADRP CC[NH+]1CCC(CCNC(=O)N2CC[NH+](C3CCC(C)CC3)CC2)CC1 ZINC000466103100 502479013 /nfs/dbraw/zinc/47/90/13/502479013.db2.gz VNUOSNHRLLYPDL-UHFFFAOYSA-N 2 0 364.578 3.014 20 0 FGADRP CN(C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000476403965 502480647 /nfs/dbraw/zinc/48/06/47/502480647.db2.gz HEDLVLBPTYDESE-OAQYLSRUSA-N 2 0 370.541 3.051 20 0 FGADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)NC2CC[NH+](C3CCCCC3)CC2)C[C@@H]1C ZINC000483792447 502494213 /nfs/dbraw/zinc/49/42/13/502494213.db2.gz VBPMZEIXSHJWIL-FXAWDEMLSA-N 2 0 364.578 3.298 20 0 FGADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N(C)[C@@H]2CC[NH+](CC)[C@@H](C)C2)C1 ZINC000483799116 502495794 /nfs/dbraw/zinc/49/57/94/502495794.db2.gz KVJWZLKSAIHXKG-IPMKNSEASA-N 2 0 366.594 3.401 20 0 FGADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)NCC[C@H](C)[NH+](C)Cc2ccccc2)C1 ZINC000473018816 502500762 /nfs/dbraw/zinc/50/07/62/502500762.db2.gz DPCJSDQRYOFLIB-FPOVZHCZSA-N 2 0 374.573 3.270 20 0 FGADRP C[C@@H](CNC(=O)NCCC[N@@H+]1CCCC[C@H]1C)[NH+](C)Cc1ccccc1 ZINC000476480491 502500846 /nfs/dbraw/zinc/50/08/46/502500846.db2.gz ADOMJBQVDRRUBQ-MOPGFXCFSA-N 2 0 360.546 3.071 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCCN2CCc3ccccc32)[C@@H](C)C1 ZINC000480255881 502514829 /nfs/dbraw/zinc/51/48/29/502514829.db2.gz ZDBFHAWZILSZTO-FPOVZHCZSA-N 2 0 359.558 3.166 20 0 FGADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)Nc1ccccc1N1CCC(C[NH+](C)C)CC1 ZINC000473276714 502556949 /nfs/dbraw/zinc/55/69/49/502556949.db2.gz LOOCIFYIAFNVRB-ROUUACIJSA-N 2 0 372.557 3.276 20 0 FGADRP C[C@H](NC(=O)NCC1([NH+](C)C)CCCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000487889865 502557910 /nfs/dbraw/zinc/55/79/10/502557910.db2.gz AKAXBQUETVBPTI-AZUAARDMSA-N 2 0 372.557 3.071 20 0 FGADRP CC[NH+]1CCN(c2ccccc2C[NH2+]C[C@@H](CO)CC2CCCC2)CC1 ZINC000466420694 502566288 /nfs/dbraw/zinc/56/62/88/502566288.db2.gz FFWUPAWILGUKEZ-FQEVSTJZSA-N 2 0 359.558 3.107 20 0 FGADRP CC[NH+]1CCN(c2ccccc2C[NH2+]C[C@H](CO)CC2CCCC2)CC1 ZINC000466420695 502566413 /nfs/dbraw/zinc/56/64/13/502566413.db2.gz FFWUPAWILGUKEZ-HXUWFJFHSA-N 2 0 359.558 3.107 20 0 FGADRP CCC[N@H+](C)[C@H](CNC(=O)[C@H]1C[NH+](C)C[C@H]1C)c1ccc(Cl)cc1 ZINC000487965684 502582769 /nfs/dbraw/zinc/58/27/69/502582769.db2.gz WWBQYHOVNDEQSF-FHLIZLRMSA-N 2 0 351.922 3.037 20 0 FGADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NCCCCC[NH+]1CCCCC1 ZINC000476825259 502594909 /nfs/dbraw/zinc/59/49/09/502594909.db2.gz WKJKUSQAVIDKMH-MOPGFXCFSA-N 2 0 352.567 3.062 20 0 FGADRP COc1cccc(C[C@H]([NH2+]CC2(O)CC[NH+](C)CC2)c2ccccc2)c1 ZINC000484183079 502595155 /nfs/dbraw/zinc/59/51/55/502595155.db2.gz YZSBQIQRZPEARE-NRFANRHFSA-N 2 0 354.494 3.025 20 0 FGADRP O=C(Nc1ccc2c(c1)C[NH2+]CCO2)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000462886190 502614661 /nfs/dbraw/zinc/61/46/61/502614661.db2.gz XEMLAUSWMJWRKG-HXUWFJFHSA-N 2 0 365.477 3.162 20 0 FGADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H](C)c2ccc(OCC(F)(F)F)cc2)CC1 ZINC000480607922 502619108 /nfs/dbraw/zinc/61/91/08/502619108.db2.gz JRUQFDDMANEATJ-HOTGVXAUSA-N 2 0 373.463 3.304 20 0 FGADRP CC[NH+](CC)Cc1ccc(CNC(=O)N2CC[C@@H]([NH+]3CCCC3)[C@H]2C)cc1 ZINC000476925412 502623414 /nfs/dbraw/zinc/62/34/14/502623414.db2.gz HPCFCISKPSUURC-WIYYLYMNSA-N 2 0 372.557 3.297 20 0 FGADRP C[C@@H]1[C@@H](NC(=O)NC2CC[NH+](C(C)(C)C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000484433062 502642861 /nfs/dbraw/zinc/64/28/61/502642861.db2.gz AHQUNCVRDNCIEK-XLIONFOSSA-N 2 0 372.557 3.212 20 0 FGADRP COC1CC([NH2+]Cc2ccccc2C[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000470106886 502663020 /nfs/dbraw/zinc/66/30/20/502663020.db2.gz WRBNDXVWKVRMFN-UHFFFAOYSA-N 2 0 365.521 3.276 20 0 FGADRP CC[NH+](CC)CC1CC[NH+]([C@@H](C)C(=O)N2CCCc3ccccc32)CC1 ZINC000488406169 502705863 /nfs/dbraw/zinc/70/58/63/502705863.db2.gz MXWYLCHJDRAIAW-SFHVURJKSA-N 2 0 357.542 3.408 20 0 FGADRP CC[NH+](CC)CC1CC[NH+]([C@@H](C)C(=O)N(C)Cc2ccccc2C)CC1 ZINC000488421483 502710953 /nfs/dbraw/zinc/71/09/53/502710953.db2.gz RRAQBUNSNQBRBA-IBGZPJMESA-N 2 0 359.558 3.396 20 0 FGADRP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCC[NH+](C(C)C)CC2)C1 ZINC000477248669 502718962 /nfs/dbraw/zinc/71/89/62/502718962.db2.gz LPKURXWMJCLPFB-SFHVURJKSA-N 2 0 352.567 3.013 20 0 FGADRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCc2ccc(CC[NH+](C)C)cc2)C1 ZINC000466979592 502746351 /nfs/dbraw/zinc/74/63/51/502746351.db2.gz SPKSCWFSWCUFTO-GOSISDBHSA-N 2 0 374.573 3.100 20 0 FGADRP C[N@@H+]1CCC[C@@H](CNC(=O)c2ccc3c(c2)C[NH2+]C3)[C@@H]1c1cccs1 ZINC000470366031 502751553 /nfs/dbraw/zinc/75/15/53/502751553.db2.gz BGIQVTRBJSTEMK-QFBILLFUSA-N 2 0 355.507 3.164 20 0 FGADRP C[C@@H]([NH2+][C@H]1CC[C@@H](C)C[C@@H]1C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000481164818 502770626 /nfs/dbraw/zinc/77/06/26/502770626.db2.gz HYKXDIDUCZOMJZ-QIYLELGZSA-N 2 0 357.542 3.180 20 0 FGADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H](O)COCc1ccccc1 ZINC000481169748 502771574 /nfs/dbraw/zinc/77/15/74/502771574.db2.gz FOADEBGHVLUSRG-VJBMBRPKSA-N 2 0 368.521 3.064 20 0 FGADRP Cc1ccccc1C[NH+]1CCC(NC(=O)C[NH2+][C@@H]2CC[C@H](C)C[C@H]2C)CC1 ZINC000481180067 502774235 /nfs/dbraw/zinc/77/42/35/502774235.db2.gz LDGHFWAHECAAQZ-LRXVAGHRSA-N 2 0 371.569 3.490 20 0 FGADRP C[C@@H]1CCC[C@H]([NH2+]CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)[C@@H]1C ZINC000481185798 502777471 /nfs/dbraw/zinc/77/74/71/502777471.db2.gz XFUJTAWTYGZBAU-OPYAIIAOSA-N 2 0 357.542 3.313 20 0 FGADRP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)c1ccc2c(c1)C[NH2+]C2 ZINC000470464177 502784909 /nfs/dbraw/zinc/78/49/09/502784909.db2.gz GEFCNHKYAQKOAO-IAGOWNOFSA-N 2 0 363.505 3.176 20 0 FGADRP C[C@@H]([NH3+])[C@H]1CCN(CC(=O)Nc2ccccc2Sc2ccccc2)C1 ZINC000484946868 502784998 /nfs/dbraw/zinc/78/49/98/502784998.db2.gz NTYRQFOMICADGU-CVEARBPZSA-N 2 0 355.507 3.445 20 0 FGADRP CC(C)[NH+](CCCNC(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1)C(C)C ZINC000470475863 502789227 /nfs/dbraw/zinc/78/92/27/502789227.db2.gz IEUWELGNHQJBOJ-LJQANCHMSA-N 2 0 352.567 3.059 20 0 FGADRP C[C@H]([NH3+])[C@@H]1CC[N@H+](CCC(=O)N[C@H](c2cccs2)c2ccccc2)C1 ZINC000484984287 502793643 /nfs/dbraw/zinc/79/36/43/502793643.db2.gz CHEUNDGWSJBUNY-VPWXQRGCSA-N 2 0 357.523 3.013 20 0 FGADRP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C[NH+]1[C@H](C)CC[C@@H]1C ZINC000470531408 502806494 /nfs/dbraw/zinc/80/64/94/502806494.db2.gz VBWYSJYRKHVMNF-ZVDOUQERSA-N 2 0 357.542 3.230 20 0 FGADRP CCN(Cc1cccs1)[C@H](C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000485040645 502807857 /nfs/dbraw/zinc/80/78/57/502807857.db2.gz COMOMCQPLAGHCW-IEBWSBKVSA-N 2 0 371.550 3.349 20 0 FGADRP C[C@H]1CCCC[N@@H+]1CCCNC(=O)N[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000504877568 502817740 /nfs/dbraw/zinc/81/77/40/502817740.db2.gz VNVYHWIEBXWJKG-PZJWPPBQSA-N 2 0 372.557 3.215 20 0 FGADRP C[NH+](C)C(C)(C)CNC(=O)c1cccc(C[N@H+](C)Cc2ccccc2)c1 ZINC000496135637 502875485 /nfs/dbraw/zinc/87/54/85/502875485.db2.gz ZAGQWXNMLUJSIK-UHFFFAOYSA-N 2 0 353.510 3.389 20 0 FGADRP CC(C)Cc1ccc([C@@H](CNC(=O)N2CC[C@H](C[NH+](C)C)C2)[NH+](C)C)cc1 ZINC000513384227 502921507 /nfs/dbraw/zinc/92/15/07/502921507.db2.gz NNOGJNBWZDMICE-TZIWHRDSSA-N 2 0 374.573 3.081 20 0 FGADRP CC(C)C[C@H](C)N(C)C(=O)C[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501066160 502925977 /nfs/dbraw/zinc/92/59/77/502925977.db2.gz BJZAICHWTDAZDF-SFHVURJKSA-N 2 0 360.546 3.123 20 0 FGADRP COc1ccccc1CCC[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000505555132 502934521 /nfs/dbraw/zinc/93/45/21/502934521.db2.gz IKCYOUJIOCEXRF-KDURUIRLSA-N 2 0 360.542 3.449 20 0 FGADRP C[C@H]1C[C@H]([NH2+]CCC(=O)N2CCCCCC2)CCN1Cc1ccccc1 ZINC000513486732 502950079 /nfs/dbraw/zinc/95/00/79/502950079.db2.gz WZSYLDYAQGJMOX-PZJWPPBQSA-N 2 0 357.542 3.422 20 0 FGADRP C[C@@H]1C[C@H]([NH2+]CCC(=O)N2CCCCCC2)CCN1Cc1ccccc1 ZINC000513486733 502950102 /nfs/dbraw/zinc/95/01/02/502950102.db2.gz WZSYLDYAQGJMOX-TZIWHRDSSA-N 2 0 357.542 3.422 20 0 FGADRP CC(C)[C@@H](CNC(=O)NC[C@H](c1ccccc1)[NH+](C)C)[NH+]1CCC(C)CC1 ZINC000501186634 502955524 /nfs/dbraw/zinc/95/55/24/502955524.db2.gz KGISGEJGCBUPKG-NHCUHLMSSA-N 2 0 374.573 3.345 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)N[C@@H](C)C[NH+]1CCCCC1)Cc1ccccc1 ZINC000501195909 502957024 /nfs/dbraw/zinc/95/70/24/502957024.db2.gz DGTIGNFPCJFHKH-PZJWPPBQSA-N 2 0 374.573 3.113 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)NCC1([NH+](C)C)CCCC1)Cc1ccccc1 ZINC000501253418 502968475 /nfs/dbraw/zinc/96/84/75/502968475.db2.gz MHCQZGBKMVBACV-FQEVSTJZSA-N 2 0 374.573 3.113 20 0 FGADRP C[C@H](CCNC(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1)[N@H+](C)Cc1ccccc1 ZINC000489528143 502979856 /nfs/dbraw/zinc/97/98/56/502979856.db2.gz ISHULCPQKYQNJV-YZGWKJHDSA-N 2 0 360.546 3.069 20 0 FGADRP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2C[N@H+](C)C[C@@H]2c2ccccc2)cc1 ZINC000513613915 502980419 /nfs/dbraw/zinc/98/04/19/502980419.db2.gz UXXYXFZUJVTATP-FGZHOGPDSA-N 2 0 365.521 3.356 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccc(CSC)cc1 ZINC000505765673 502981285 /nfs/dbraw/zinc/98/12/85/502981285.db2.gz KTDQIBVHJOQPAD-LJQANCHMSA-N 2 0 363.571 3.038 20 0 FGADRP CC[C@H](C)[N@H+](C)CCNC(=O)NCC[C@@H]1C[C@H](C)[NH+](Cc2ccccc2)C1 ZINC000509805156 502988883 /nfs/dbraw/zinc/98/88/83/502988883.db2.gz NISHQWZWEJNGEW-IRFCIJBXSA-N 2 0 374.573 3.317 20 0 FGADRP CC[C@H](CNC(=O)N[C@@H](CC(C)C)C[NH+](C)C)[N@@H+]1CCc2ccccc2C1 ZINC000501361275 502992566 /nfs/dbraw/zinc/99/25/66/502992566.db2.gz OQUFXQCZLJXABV-LEWJYISDSA-N 2 0 374.573 3.099 20 0 FGADRP CCCC[N@H+](C)CCNC(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000489588578 502992824 /nfs/dbraw/zinc/99/28/24/502992824.db2.gz HCUCZMXUYLTCIF-UHFFFAOYSA-N 2 0 360.546 3.024 20 0 FGADRP C[C@@H](CNC(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)[NH+]1CCCC[C@H]1C ZINC000501490167 503019377 /nfs/dbraw/zinc/01/93/77/503019377.db2.gz IVLHAYVXFAMXNE-SVFBPWRDSA-N 2 0 372.557 3.213 20 0 FGADRP C[C@@H](CNC(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1)[NH+]1CCCC[C@H]1C ZINC000501490164 503019417 /nfs/dbraw/zinc/01/94/17/503019417.db2.gz IVLHAYVXFAMXNE-DYXWJJEUSA-N 2 0 372.557 3.213 20 0 FGADRP C[C@@H](CNC(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1)[NH+]1CCCC[C@H]1C ZINC000501488890 503019556 /nfs/dbraw/zinc/01/95/56/503019556.db2.gz DQUQGSMNRIGWGW-WCIQWLHISA-N 2 0 366.594 3.307 20 0 FGADRP CC[NH+](CC)[C@@H](C(=O)Nc1ccnc(OCC[NH+](C)C)c1)c1ccccc1 ZINC000497713036 503022208 /nfs/dbraw/zinc/02/22/08/503022208.db2.gz KGPPKIYVTWKPLK-HXUWFJFHSA-N 2 0 370.497 3.044 20 0 FGADRP C[C@H]1CCCC[N@@H+]1CCNC(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000501548617 503034305 /nfs/dbraw/zinc/03/43/05/503034305.db2.gz ZPJQUTFCAUIHRI-DLBZAZTESA-N 2 0 364.559 3.059 20 0 FGADRP CC1CC[NH+](C[C@@H]2CCCN(C(=O)N[C@@H]3CCC[C@@H]([NH+](C)C)C3)C2)CC1 ZINC000489798258 503038273 /nfs/dbraw/zinc/03/82/73/503038273.db2.gz PSTRILVLGBFLDP-XUVXKRRUSA-N 2 0 364.578 3.013 20 0 FGADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000513891552 503043305 /nfs/dbraw/zinc/04/33/05/503043305.db2.gz ITOIZZQYKRYKHR-DYXWJJEUSA-N 2 0 372.557 3.243 20 0 FGADRP CC(C)[C@@H]([NH2+]CCN1CC[NH+](Cc2ccccc2)CC1)c1ccc(F)cn1 ZINC000497829866 503049548 /nfs/dbraw/zinc/04/95/48/503049548.db2.gz XFQKUZMWOLIFKC-JOCHJYFZSA-N 2 0 370.516 3.325 20 0 FGADRP CC[C@@H](C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1)[NH+](C)C ZINC000513922741 503049676 /nfs/dbraw/zinc/04/96/76/503049676.db2.gz VGXRBKQPOIYRES-BDTNDASRSA-N 2 0 365.521 3.111 20 0 FGADRP CC(C)[NH+]1CCC([N@H+](C)CCC(=O)NCc2ccccc2Cl)CC1 ZINC000514008578 503067253 /nfs/dbraw/zinc/06/72/53/503067253.db2.gz MWKTZFMKRXDDNZ-UHFFFAOYSA-N 2 0 351.922 3.151 20 0 FGADRP CCC[C@@H]([NH2+]C(C)C)C(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1F ZINC000501763557 503075007 /nfs/dbraw/zinc/07/50/07/503075007.db2.gz FUVRTEDCOADHPR-GOSISDBHSA-N 2 0 355.473 3.022 20 0 FGADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)C1 ZINC000501773847 503077444 /nfs/dbraw/zinc/07/74/44/503077444.db2.gz DYCKLMGJGKLTKE-VAMGGRTRSA-N 2 0 366.594 3.166 20 0 FGADRP COc1cccc([C@H](CN[C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)[NH+]2CCCC2)c1 ZINC000514093529 503085299 /nfs/dbraw/zinc/08/52/99/503085299.db2.gz JIAHOHXJAWEGLP-LRSLUSHPSA-N 2 0 357.542 3.295 20 0 FGADRP C[C@@H]1C[C@@H](CCNC(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)C[NH+]1Cc1ccccc1 ZINC000510326654 503092510 /nfs/dbraw/zinc/09/25/10/503092510.db2.gz ZCTVTVVIRJDRJX-VURPSTOHSA-N 2 0 372.557 3.069 20 0 FGADRP CC1CC[NH+](CCCNC(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)CC1 ZINC000501849692 503094195 /nfs/dbraw/zinc/09/41/95/503094195.db2.gz KSVYOSDNCOVULY-NRFANRHFSA-N 2 0 372.557 3.245 20 0 FGADRP CC[C@H](C)[NH2+][C@H](CNC(=O)NCC[C@@H](C)[NH+]1CCCCC1)c1ccco1 ZINC000501942317 503112718 /nfs/dbraw/zinc/11/27/18/503112718.db2.gz LGSDSSUTSANQNF-RCCFBDPRSA-N 2 0 364.534 3.273 20 0 FGADRP C[C@@]1(C(=O)N2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)CCCC[NH2+]1 ZINC000510479661 503123436 /nfs/dbraw/zinc/12/34/36/503123436.db2.gz JNMNDFKYEZTFQP-FCHUYYIVSA-N 2 0 355.526 3.033 20 0 FGADRP C[C@H](NC(=O)NCC1([NH+](C)C)CCCCC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000510551427 503142656 /nfs/dbraw/zinc/14/26/56/503142656.db2.gz UIGREECTKPXOGV-ZWKOTPCHSA-N 2 0 364.578 3.203 20 0 FGADRP C[C@H](C[NH+]1CCCCCC1)NC(=O)N(C)CCC[N@H+](C)Cc1ccco1 ZINC000502121709 503146977 /nfs/dbraw/zinc/14/69/77/503146977.db2.gz JVDDXPHDLWEGTI-GOSISDBHSA-N 2 0 364.534 3.007 20 0 FGADRP Cc1cc([C@@H](C)NC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)c(C)s1 ZINC000502217235 503164445 /nfs/dbraw/zinc/16/44/45/503164445.db2.gz CTKFSCAVRJAOGP-MRXNPFEDSA-N 2 0 368.591 3.341 20 0 FGADRP COc1cc(C)c(C[C@@H](C)[NH2+]CCCN2C[C@@H](C)O[C@@H](C)C2)cc1OC ZINC000502245286 503168484 /nfs/dbraw/zinc/16/84/84/503168484.db2.gz WYIGSAILHJCRDB-KURKYZTESA-N 2 0 364.530 3.032 20 0 FGADRP C[C@H](CCc1c(F)cccc1F)[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000510696195 503174399 /nfs/dbraw/zinc/17/43/99/503174399.db2.gz QKUXRMXEDUHENC-XMCHAPAWSA-N 2 0 352.469 3.253 20 0 FGADRP CC[NH+](CC)CC1CC[NH+](Cc2ccc(O[C@H](C)C(=O)OC)cc2)CC1 ZINC000506889822 503190442 /nfs/dbraw/zinc/19/04/42/503190442.db2.gz ITGWVCYGZWVDHY-QGZVFWFLSA-N 2 0 362.514 3.181 20 0 FGADRP Cc1ccc(OC(F)F)c(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)c1 ZINC000506911074 503192708 /nfs/dbraw/zinc/19/27/08/503192708.db2.gz POWGWCNGRTZMGJ-UHFFFAOYSA-N 2 0 354.441 3.141 20 0 FGADRP C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)NCC2([NH+](C)C)CCCC2)C1 ZINC000506934685 503197353 /nfs/dbraw/zinc/19/73/53/503197353.db2.gz PKQCQWPDQOEYGI-RBUKOAKNSA-N 2 0 364.578 3.157 20 0 FGADRP C[NH+](C)CC1CC[NH+](CC2=Cc3cc(Br)ccc3OC2)CC1 ZINC000506946084 503198323 /nfs/dbraw/zinc/19/83/23/503198323.db2.gz QYDDYIYLDTVLDG-UHFFFAOYSA-N 2 0 365.315 3.499 20 0 FGADRP Cc1ccc(CN2CCOCC2)cc1NC(=O)CC[C@H]1CCCC[N@H+]1C ZINC000498641079 503229955 /nfs/dbraw/zinc/22/99/55/503229955.db2.gz WDRFQYSBBXZMJA-LJQANCHMSA-N 2 0 359.514 3.030 20 0 FGADRP O=C1C[C@H]([NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)[C@@H]2CCCCN12 ZINC000510999106 503233188 /nfs/dbraw/zinc/23/31/88/503233188.db2.gz ORCXAENYSFCWGU-TWGBQZSLSA-N 2 0 367.537 3.030 20 0 FGADRP C[C@H](NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000490832764 503233687 /nfs/dbraw/zinc/23/36/87/503233687.db2.gz BKDPZWGWRYZMPN-CZTZKLFOSA-N 2 0 369.553 3.420 20 0 FGADRP CC(C)[N@@H+]1CCCN(C(=O)N[C@@H](C)[C@@H]2CC[NH+](Cc3ccccc3)C2)CC1 ZINC000498709397 503243690 /nfs/dbraw/zinc/24/36/90/503243690.db2.gz IVAQWWJRIWVRJL-PZJWPPBQSA-N 2 0 372.557 3.023 20 0 FGADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)NCc2ccc(C[NH+](C)C)cc2)C1 ZINC000502823002 503280795 /nfs/dbraw/zinc/28/07/95/503280795.db2.gz DCZACKZQKVPYBH-GOSISDBHSA-N 2 0 360.546 3.060 20 0 FGADRP Cn1c(=O)oc2cc(C[NH2+]C[C@@H]3CCCN(C)[C@@H]3c3cccs3)ccc21 ZINC000511242059 503285763 /nfs/dbraw/zinc/28/57/63/503285763.db2.gz LSYWVJIGNJCCSZ-KXBFYZLASA-N 2 0 371.506 3.366 20 0 FGADRP CC(C)[NH+](CCN(C)C(=O)NC[C@@H](c1cccs1)[NH+](C)C)C(C)C ZINC000502843552 503287358 /nfs/dbraw/zinc/28/73/58/503287358.db2.gz VHZBNGYDYWTCNE-INIZCTEOSA-N 2 0 354.564 3.111 20 0 FGADRP C[C@@H](NC(=O)NCC[N@H+](C)C1CCCCC1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000511290424 503293177 /nfs/dbraw/zinc/29/31/77/503293177.db2.gz FTSHDCWOKINMSC-MSOLQXFVSA-N 2 0 364.578 3.203 20 0 FGADRP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000502874919 503296475 /nfs/dbraw/zinc/29/64/75/503296475.db2.gz BGZIRKZGESIJBI-SFHVURJKSA-N 2 0 360.546 3.202 20 0 FGADRP CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(C[NH+](C)C)cc2)c2ccccc2C1 ZINC000491340962 503298348 /nfs/dbraw/zinc/29/83/48/503298348.db2.gz BFBYQLGUXAHMAX-JOCHJYFZSA-N 2 0 351.494 3.331 20 0 FGADRP Cc1ccccc1[C@H]([C@@H](C)NC(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1)[NH+](C)C ZINC000502897260 503302572 /nfs/dbraw/zinc/30/25/72/503302572.db2.gz WAQAMNLDEKPFRF-LMNJBCLMSA-N 2 0 372.557 3.302 20 0 FGADRP CC[NH+](CC)CC1CCN(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000515291606 503308111 /nfs/dbraw/zinc/30/81/11/503308111.db2.gz BTSRQJDUZHOBOD-OAQYLSRUSA-N 2 0 372.557 3.024 20 0 FGADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000502963090 503315493 /nfs/dbraw/zinc/31/54/93/503315493.db2.gz XXOYFNCZVJIFCY-NRFANRHFSA-N 2 0 372.557 3.346 20 0 FGADRP CC[N@H+](CCNC(=O)N[C@@H]1CC[NH+](Cc2ccccc2)CC1(C)C)C(C)C ZINC000511423277 503318892 /nfs/dbraw/zinc/31/88/92/503318892.db2.gz VUNQNHGWRQLZJQ-HXUWFJFHSA-N 2 0 374.573 3.317 20 0 FGADRP C[C@@H]1C[C@@H](CCNC(=O)NCCC[NH+]2CCCC2)C[N@@H+]1Cc1ccccc1 ZINC000511437175 503321398 /nfs/dbraw/zinc/32/13/98/503321398.db2.gz IBQRUKRRIRCDOG-TZIWHRDSSA-N 2 0 372.557 3.072 20 0 FGADRP CC[N@H+](CCNC(=O)N[C@@H]1CC[NH+](Cc2ccccc2)CC1(C)C)C1CC1 ZINC000511438048 503322106 /nfs/dbraw/zinc/32/21/06/503322106.db2.gz KUWFQEQXFYDRMP-HXUWFJFHSA-N 2 0 372.557 3.071 20 0 FGADRP C[NH+](C)[C@H](CNC(=O)NCCC[N@@H+](C)Cc1ccccc1)c1cccs1 ZINC000515363705 503323884 /nfs/dbraw/zinc/32/38/84/503323884.db2.gz QHAMUSCVRMTJNA-GOSISDBHSA-N 2 0 374.554 3.172 20 0 FGADRP C[C@@H]1C[C@@H](NC(=O)N[C@H]2CC[NH+](Cc3ccccc3)CC2(C)C)CC[N@@H+]1C ZINC000511502777 503333565 /nfs/dbraw/zinc/33/35/65/503333565.db2.gz FOURYZXGBMBPCY-HOJAQTOUSA-N 2 0 372.557 3.069 20 0 FGADRP C[C@@H](CC1CCCCC1)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000511549358 503341785 /nfs/dbraw/zinc/34/17/85/503341785.db2.gz CYEXHSIZKFHAGE-IBGZPJMESA-N 2 0 372.557 3.316 20 0 FGADRP C[C@H](CC1CCCCC1)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000511549359 503342339 /nfs/dbraw/zinc/34/23/39/503342339.db2.gz CYEXHSIZKFHAGE-LJQANCHMSA-N 2 0 372.557 3.316 20 0 FGADRP CCCN(CC[NH+]1CCCC1)C(=O)N[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000499186083 503351845 /nfs/dbraw/zinc/35/18/45/503351845.db2.gz AEQXIPWEXTXHPS-FPOVZHCZSA-N 2 0 372.557 3.167 20 0 FGADRP CC(C)CC[NH+]1CCC(CNC(=O)c2ccc(CC[NH+](C)C)cc2)CC1 ZINC000515668649 503382113 /nfs/dbraw/zinc/38/21/13/503382113.db2.gz LMABMPUUDWKZJH-UHFFFAOYSA-N 2 0 359.558 3.279 20 0 FGADRP CCCN(CC[NH+]1CCCC1)C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000503360212 503394213 /nfs/dbraw/zinc/39/42/13/503394213.db2.gz GZYWXKHTYRWWSW-NRFANRHFSA-N 2 0 372.557 3.026 20 0 FGADRP CC(C)[C@H](CNC(=O)NC1CC[NH+](C(C)(C)C)CC1)[NH+]1CCCCCC1 ZINC000515820359 503406967 /nfs/dbraw/zinc/40/69/67/503406967.db2.gz IJBNLPKSHBTDSN-IBGZPJMESA-N 2 0 366.594 3.449 20 0 FGADRP C[C@@H](OC[C@H](O)C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1ccc(Cl)cc1 ZINC000515832089 503408751 /nfs/dbraw/zinc/40/87/51/503408751.db2.gz JCBUVNSPDMKEIH-VGBGELSPSA-N 2 0 366.933 3.383 20 0 FGADRP C[C@H](C(=O)N1CCC([N@@H+]2CCc3ccccc3C2)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000511920598 503416041 /nfs/dbraw/zinc/41/60/41/503416041.db2.gz XXIHFGMMXJTLLN-GUDVDZBRSA-N 2 0 369.553 3.297 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)NCC1(C)CC[NH+](C)CC1)c1ccsc1 ZINC000508045954 503419351 /nfs/dbraw/zinc/41/93/51/503419351.db2.gz QEJIQASIKAYCQC-QGZVFWFLSA-N 2 0 366.575 3.162 20 0 FGADRP C[NH+]1CCC(CCNC(=O)NCC2([NH+]3CCCCC3)CCCCC2)CC1 ZINC000503502330 503422814 /nfs/dbraw/zinc/42/28/14/503422814.db2.gz JYANZEUKKVKSRY-UHFFFAOYSA-N 2 0 364.578 3.206 20 0 FGADRP C[C@H](C[NH2+]C[C@@H](O)CO[C@@H](C)c1ccc(Cl)cc1)C[NH+]1CCCCC1 ZINC000516048580 503436947 /nfs/dbraw/zinc/43/69/47/503436947.db2.gz JYXQYACBBZHAEI-FUHIMQAGSA-N 2 0 368.949 3.490 20 0 FGADRP C[NH+]1CCC(CC[NH2+]C[C@@H](O)COc2ccc(-c3ccccc3)cc2)CC1 ZINC000516048719 503437059 /nfs/dbraw/zinc/43/70/59/503437059.db2.gz LFENJOHSWSAKOY-JOCHJYFZSA-N 2 0 368.521 3.415 20 0 FGADRP OC[C@@H]1CCN(Cc2ccccc2)C[C@@H]1[NH2+]C/C=C/c1ccc(F)c(F)c1 ZINC000512054401 503445359 /nfs/dbraw/zinc/44/53/59/503445359.db2.gz UNCABXWCMQRWSS-NIQNNRAYSA-N 2 0 372.459 3.451 20 0 FGADRP COCCN1CCC[C@@H]1C[NH2+][C@@H]1CCc2cc(Br)cc(C)c21 ZINC000493966415 503466744 /nfs/dbraw/zinc/46/67/44/503466744.db2.gz AQMKHUFICUTUBH-IAGOWNOFSA-N 2 0 367.331 3.445 20 0 FGADRP C[C@H]([NH2+]C(C)(C)CNC(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1)c1ccccc1 ZINC000503731046 503466404 /nfs/dbraw/zinc/46/64/04/503466404.db2.gz UAMLFGNCXKWVIO-HKUYNNGSSA-N 2 0 372.557 3.432 20 0 FGADRP C[C@H]([NH2+]C(C)(C)CNC(=O)N1CC[NH+](C2CCCC2)CC1)c1ccccc1 ZINC000503737404 503467192 /nfs/dbraw/zinc/46/71/92/503467192.db2.gz PEPXABHAGSMGPQ-SFHVURJKSA-N 2 0 372.557 3.386 20 0 FGADRP CC(C)[C@@H]1CCCC[C@H]1NC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000503745701 503467799 /nfs/dbraw/zinc/46/77/99/503467799.db2.gz HNOQVGWGCOAXEJ-RBUKOAKNSA-N 2 0 354.583 3.116 20 0 FGADRP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+]2CCCCC[C@H]2C)CC1 ZINC000512158227 503472070 /nfs/dbraw/zinc/47/20/70/503472070.db2.gz BQWDVMGVOWGLAN-LJQANCHMSA-N 2 0 357.542 3.340 20 0 FGADRP CC[NH+](CC)CCOc1ccc(C(=O)NCC2([NH+](C)C)CCCC2)cc1 ZINC000494157594 503496459 /nfs/dbraw/zinc/49/64/59/503496459.db2.gz OWTWZZLLLKTALP-UHFFFAOYSA-N 2 0 361.530 3.011 20 0 FGADRP Cc1nc2ccc(C[NH2+]C3CC[NH+]([C@@H]4CCCC[C@@H]4O)CC3)cc2s1 ZINC000494193282 503501245 /nfs/dbraw/zinc/50/12/45/503501245.db2.gz YAYMPMXHWYTVPN-MOPGFXCFSA-N 2 0 359.539 3.462 20 0 FGADRP O=C([C@@H]1CCCC[N@@H+]1Cc1ccccc1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000608013375 506376292 /nfs/dbraw/zinc/37/62/92/506376292.db2.gz ARTOXFFNMWLPAM-SFTDATJTSA-N 2 0 355.526 3.128 20 0 FGADRP CCc1ccc2occ(C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)c2c1 ZINC000512321349 503518674 /nfs/dbraw/zinc/51/86/74/503518674.db2.gz GVQKZHDEBZHATM-UHFFFAOYSA-N 2 0 359.514 3.341 20 0 FGADRP C[NH+](C)C[C@H]1CC[N@H+](CCC(=O)N[C@@H](c2cccs2)c2ccccc2)C1 ZINC000512318858 503518842 /nfs/dbraw/zinc/51/88/42/503518842.db2.gz TXSGKCWKRYNTPZ-DYESRHJHSA-N 2 0 371.550 3.227 20 0 FGADRP COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)N(C)CCC[NH+]1CCCC1 ZINC000499966092 503523287 /nfs/dbraw/zinc/52/32/87/503523287.db2.gz QTOPBXSILFKDQZ-HNNXBMFYSA-N 2 0 367.921 3.402 20 0 FGADRP Cc1cc([C@@H](C)[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)sc1Br ZINC000512398650 503537130 /nfs/dbraw/zinc/53/71/30/503537130.db2.gz BWFZDJYPPJMADW-CYBMUJFWSA-N 2 0 374.392 3.496 20 0 FGADRP FC(F)COc1ccc(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)cc1 ZINC000512438094 503551693 /nfs/dbraw/zinc/55/16/93/503551693.db2.gz ABGIYRJKCZBYLK-UHFFFAOYSA-N 2 0 368.468 3.265 20 0 FGADRP O[C@@H](C[NH2+]CCCC[NH+]1CCN(c2ccccc2)CC1)CC1CCCC1 ZINC000516762022 503581834 /nfs/dbraw/zinc/58/18/34/503581834.db2.gz RLGFZDPDTUYMKH-JOCHJYFZSA-N 2 0 359.558 3.120 20 0 FGADRP O[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]C2CC(OCc3ccccc3)C2)CC1 ZINC000494644643 503582136 /nfs/dbraw/zinc/58/21/36/503582136.db2.gz DBOJAQGPZBBZGC-UJKMTWAASA-N 2 0 358.526 3.092 20 0 FGADRP CCn1ccnc1CN(C(=O)c1ccc(F)cc1C)[C@H]1CC12CC[NH2+]CC2 ZINC000516771395 503583492 /nfs/dbraw/zinc/58/34/92/503583492.db2.gz LCRSQGDOKYDJTM-SFHVURJKSA-N 2 0 370.472 3.135 20 0 FGADRP Cc1ccccc1[C@H]([C@H](C)NC(=O)N1CC[C@H]([NH+]2CCCC2)[C@H]1C)[NH+](C)C ZINC000508903527 503596340 /nfs/dbraw/zinc/59/63/40/503596340.db2.gz YDGZWBFEGBKEGF-YHELAOLJSA-N 2 0 372.557 3.254 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@H](C)[C@@H](c2ccccc2C)[NH+](C)C)[C@@H](C)C1 ZINC000508917608 503599413 /nfs/dbraw/zinc/59/94/13/503599413.db2.gz IBRNPKMCUWFOED-YHELAOLJSA-N 2 0 374.573 3.358 20 0 FGADRP Cc1ccccc1[C@H]([C@H](C)NC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1)[NH+](C)C ZINC000508923807 503601359 /nfs/dbraw/zinc/60/13/59/503601359.db2.gz OLEOIPZWUMHFKC-ZSXPUABSSA-N 2 0 372.557 3.112 20 0 FGADRP O[C@@H]1CC[N@H+](Cc2ccccc2C[NH2+]C2CC(OCc3ccccc3)C2)C1 ZINC000494746786 503603133 /nfs/dbraw/zinc/60/31/33/503603133.db2.gz QMLNJCPQVDVBDE-OOMBGRCJSA-N 2 0 366.505 3.091 20 0 FGADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2c(F)cccc2N2CCCC2)C1 ZINC000536695726 503685526 /nfs/dbraw/zinc/68/55/26/503685526.db2.gz MQTWKAHUDOUPMH-GOSISDBHSA-N 2 0 363.521 3.359 20 0 FGADRP Cc1ccc(SCC[N@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)cc1C ZINC000532986561 503687899 /nfs/dbraw/zinc/68/78/99/503687899.db2.gz XXTAWKWIEHAJND-HXUWFJFHSA-N 2 0 361.599 3.496 20 0 FGADRP C[NH+](C)CCNC(=O)c1ccc(C[NH2+][C@H]2CCC[C@@H]2c2ccccc2)cc1 ZINC000540175442 503696837 /nfs/dbraw/zinc/69/68/37/503696837.db2.gz IKCNHYWQMLTHSM-YADHBBJMSA-N 2 0 365.521 3.404 20 0 FGADRP C[C@@H]([NH2+]CCC(C)(C)C)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000540194437 503702804 /nfs/dbraw/zinc/70/28/04/503702804.db2.gz IKYVKXDSWNGXKB-MRXNPFEDSA-N 2 0 369.575 3.003 20 0 FGADRP CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCC[NH+](C(C)(C)C)CC1 ZINC000533051059 503713765 /nfs/dbraw/zinc/71/37/65/503713765.db2.gz VBBVKIARTUSDHT-GOSISDBHSA-N 2 0 352.567 3.013 20 0 FGADRP C[C@H]1C[N@H+](CCOc2ccc(CC[NH2+]Cc3cccnc3)cc2)C[C@H]1C ZINC000540323054 503736687 /nfs/dbraw/zinc/73/66/87/503736687.db2.gz AAVZMBJQDISNDY-KDURUIRLSA-N 2 0 353.510 3.381 20 0 FGADRP CC[N@@H+]1CC[C@H](CNC(=O)Nc2ccc(OCC[NH+]3CCCCC3)cc2)C1 ZINC000533181471 503751193 /nfs/dbraw/zinc/75/11/93/503751193.db2.gz CXZADTHSHVTOKL-GOSISDBHSA-N 2 0 374.529 3.015 20 0 FGADRP CCCCNC(=O)[C@H]1CC[C@H](C)[N@H+](Cc2cn(-c3cc[nH+]cc3)nc2C)C1 ZINC000543394712 503752269 /nfs/dbraw/zinc/75/22/69/503752269.db2.gz ZGVXNBXORVPWPG-WMZOPIPTSA-N 2 0 369.513 3.093 20 0 FGADRP CCC[NH+]1CCN(c2ccccc2C[NH2+]CC2(C(=O)OCC)CCC2)CC1 ZINC000543414251 503760932 /nfs/dbraw/zinc/76/09/32/503760932.db2.gz TYTCPZZSELXVCX-UHFFFAOYSA-N 2 0 373.541 3.042 20 0 FGADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1 ZINC000543433080 503767625 /nfs/dbraw/zinc/76/76/25/503767625.db2.gz SYXZPLWIRPTJOE-ZDUSSCGKSA-N 2 0 355.910 3.386 20 0 FGADRP C[NH+]1CCN(C[C@H]([NH2+]CCCCOc2ccccc2)c2ccccc2)CC1 ZINC000527366358 503779007 /nfs/dbraw/zinc/77/90/07/503779007.db2.gz JHBPJPMSVQZKAS-QHCPKHFHSA-N 2 0 367.537 3.424 20 0 FGADRP COC[C@H](C)C[NH2+]Cc1ccccc1C[NH+]1CCN(c2ccccc2)CC1 ZINC000527366336 503779069 /nfs/dbraw/zinc/77/90/69/503779069.db2.gz BSEGDCCXSFOMOR-HXUWFJFHSA-N 2 0 367.537 3.381 20 0 FGADRP CC(C)(C)[N@@H+]1CCCN(C(=O)NC[C@@H]2CC[NH+](Cc3ccccc3)C2)CC1 ZINC000527458211 503795710 /nfs/dbraw/zinc/79/57/10/503795710.db2.gz RONVNOHNZCRNMD-FQEVSTJZSA-N 2 0 372.557 3.024 20 0 FGADRP C[C@@H](c1ccc(F)c(F)c1)[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000543523801 503801897 /nfs/dbraw/zinc/80/18/97/503801897.db2.gz XAALQUJJTWWTEA-INIZCTEOSA-N 2 0 351.485 3.375 20 0 FGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H]2CCCOc3cc(Cl)ccc32)CC1 ZINC000537116153 503806826 /nfs/dbraw/zinc/80/68/26/503806826.db2.gz LVDVOIWFQWTLDO-APWZRJJASA-N 2 0 365.949 3.417 20 0 FGADRP Cc1ccccc1[C@@H]([C@@H](C)NC(=O)CCN(C)c1cc[nH+]cc1)[NH+](C)C ZINC000527492137 503810211 /nfs/dbraw/zinc/81/02/11/503810211.db2.gz JXVYZCYXNFHMBP-DYESRHJHSA-N 2 0 354.498 3.024 20 0 FGADRP CC(C)CO[C@@H]1C[C@@H]([NH2+][C@@H](CN2CC[NH+](C)CC2)c2ccccc2)C1(C)C ZINC000540595604 503827655 /nfs/dbraw/zinc/82/76/55/503827655.db2.gz CJKJHSVKKAWABE-BHDDXSALSA-N 2 0 373.585 3.404 20 0 FGADRP CC(C)[C@H](C(=O)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1)[NH+]1CCCCC1 ZINC000517812459 503842942 /nfs/dbraw/zinc/84/29/42/503842942.db2.gz XRWRZCVCVDELNE-NHCUHLMSSA-N 2 0 363.590 3.467 20 0 FGADRP CSC[C@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2ccc(-c3c[nH]cn3)cc2)C1 ZINC000517817566 503844540 /nfs/dbraw/zinc/84/45/40/503844540.db2.gz ZQHHSRXZEFGPLV-CABCVRRESA-N 2 0 358.511 3.479 20 0 FGADRP CC(C)CC[NH+]1CCC(CNC(=O)N2CCc3ccccc3[C@@H]2C[NH3+])CC1 ZINC000517932373 503869256 /nfs/dbraw/zinc/86/92/56/503869256.db2.gz JYMBZNJUPAVVJP-NRFANRHFSA-N 2 0 372.557 3.012 20 0 FGADRP CCO[C@@H]1C[C@H]([NH2+][C@@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)C1(C)C ZINC000537296646 503872570 /nfs/dbraw/zinc/87/25/70/503872570.db2.gz VGCAUHJXQIBIGI-RYGJVYDSSA-N 2 0 363.521 3.432 20 0 FGADRP Fc1ccc(CN2CCC(CO[C@H]3CC[NH2+]C3)CC2)cc1Br ZINC000530238782 503888571 /nfs/dbraw/zinc/88/85/71/503888571.db2.gz CDCXFMWGGVDIEQ-HNNXBMFYSA-N 2 0 371.294 3.179 20 0 FGADRP Fc1ccc(-c2nc(C[NH+]3CCC(CO[C@@H]4CC[NH2+]C4)CC3)co2)cc1 ZINC000530239895 503889073 /nfs/dbraw/zinc/88/90/73/503889073.db2.gz IFSIZYLQBMAFAI-LJQANCHMSA-N 2 0 359.445 3.071 20 0 FGADRP COc1cccc(C[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)c1OC(C)C ZINC000530248828 503894150 /nfs/dbraw/zinc/89/41/50/503894150.db2.gz QADWRGKINKMVQQ-IBGZPJMESA-N 2 0 362.514 3.073 20 0 FGADRP COc1ccc(NC(=O)[C@H](c2ccccc2)[N@@H+]2CCC[C@@H](CC[NH3+])C2)cc1 ZINC000518187940 503924376 /nfs/dbraw/zinc/92/43/76/503924376.db2.gz PYCOJKOQUOPXJO-UWJYYQICSA-N 2 0 367.493 3.436 20 0 FGADRP C[N@@H+]1CC[C@H](NC(=O)NC[C@@H]2CC[NH+]2C2CCCCC2)[C@@H]1c1ccccc1 ZINC000527829886 503963297 /nfs/dbraw/zinc/96/32/97/503963297.db2.gz CCOUEXUAHVOLJL-ACRUOGEOSA-N 2 0 370.541 3.138 20 0 FGADRP COC(=O)c1ccc(C[NH+]2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)[nH]1 ZINC000540998853 503970908 /nfs/dbraw/zinc/97/09/08/503970908.db2.gz MDKVQPRWIVWDQC-UHFFFAOYSA-N 2 0 367.493 3.289 20 0 FGADRP C[N@@H+]1CC[C@@H](NC(=O)N2CC[NH+](C3CCCCC3)CC2)[C@H]1c1ccccc1 ZINC000533986797 504009838 /nfs/dbraw/zinc/00/98/38/504009838.db2.gz VISIPKMMKBLGGP-NHCUHLMSSA-N 2 0 370.541 3.092 20 0 FGADRP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH2+]C[C@@H]1CCCN1c1cccnn1 ZINC000530619091 504028414 /nfs/dbraw/zinc/02/84/14/504028414.db2.gz XUZSEGJJTKRUIE-FQEVSTJZSA-N 2 0 367.541 3.193 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cn(C)nc2-c2ccccc2)[C@H](C)C1 ZINC000541176454 504032424 /nfs/dbraw/zinc/03/24/24/504032424.db2.gz CAGGGPQRTNCIFJ-NQIIRXRSSA-N 2 0 370.541 3.314 20 0 FGADRP O=C1Nc2ccccc2C[C@@H]1N[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000528001976 504034427 /nfs/dbraw/zinc/03/44/27/504034427.db2.gz QNCDSRFUAWZDJL-KEZQHZCBSA-N 2 0 361.489 3.335 20 0 FGADRP C[NH+](C)Cc1cccc(C[NH2+]C[C@@H](O)CO[C@H]2CCCc3ccccc32)c1 ZINC000518963508 504103938 /nfs/dbraw/zinc/10/39/38/504103938.db2.gz AQBOOJGMZNMJCW-GGAORHGYSA-N 2 0 368.521 3.293 20 0 FGADRP C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]CC[S@](=O)c1ccccc1 ZINC000547508901 504131095 /nfs/dbraw/zinc/13/10/95/504131095.db2.gz JSSXKJHBCPCBKC-JYMRHQFYSA-N 2 0 356.535 3.294 20 0 FGADRP C[N@H+](CCCNC(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1)C1CCCCC1 ZINC000534474168 504151692 /nfs/dbraw/zinc/15/16/92/504151692.db2.gz AITJRJBATWBDNT-LJQANCHMSA-N 2 0 364.578 3.014 20 0 FGADRP Cc1ccc([C@@H](CNC(=O)NCC[C@H](C)[NH+]2CCCCC2)[NH+](C)C)cc1 ZINC000541509906 504155205 /nfs/dbraw/zinc/15/52/05/504155205.db2.gz QLFUSQIZPZQTQD-AZUAARDMSA-N 2 0 360.546 3.161 20 0 FGADRP CC[C@H](C(=O)NC[C@@H](c1ccc(OC)cc1)[NH+]1CCCC1)[NH+](CC)CC ZINC000531042721 504170409 /nfs/dbraw/zinc/17/04/09/504170409.db2.gz JBSPMNZUPQJYIV-UXHICEINSA-N 2 0 361.530 3.069 20 0 FGADRP CN(CCC(=O)NC[C@]1(C)CCC[N@@H+]1Cc1ccccc1)c1cc[nH+]cc1 ZINC000547658485 504171251 /nfs/dbraw/zinc/17/12/51/504171251.db2.gz XRJPZHZREFECEJ-QFIPXVFZSA-N 2 0 366.509 3.079 20 0 FGADRP CC[NH+]1CCN(CCCC[NH2+][C@H](c2ccc(F)cc2)c2cccnc2)CC1 ZINC000541548042 504171994 /nfs/dbraw/zinc/17/19/94/504171994.db2.gz DNOICKHUCSYXBL-JOCHJYFZSA-N 2 0 370.516 3.317 20 0 FGADRP COc1cc(C)nc(C[N@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)c1 ZINC000534551187 504172372 /nfs/dbraw/zinc/17/23/72/504172372.db2.gz FGUZYQKJMSLYIE-UHFFFAOYSA-N 2 0 374.573 3.027 20 0 FGADRP C[C@@H](CN1CCCCC1)[NH2+][C@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21 ZINC000538261444 504180541 /nfs/dbraw/zinc/18/05/41/504180541.db2.gz UQLHPLXKJRYFST-ICSRJNTNSA-N 2 0 357.542 3.439 20 0 FGADRP CC[C@H]1CCC[N@H+](CC(=O)N2CCC[NH+](Cc3ccccc3C)CC2)C1 ZINC000519285581 504182992 /nfs/dbraw/zinc/18/29/92/504182992.db2.gz BNWLPQOXRMNPJM-FQEVSTJZSA-N 2 0 357.542 3.151 20 0 FGADRP CCCC[N@H+](C)CC1CCN(C(=O)NC[C@H](C)[NH+]2CCC(C)CC2)CC1 ZINC000519294376 504184639 /nfs/dbraw/zinc/18/46/39/504184639.db2.gz UIOGCCROVJZGIT-IBGZPJMESA-N 2 0 366.594 3.260 20 0 FGADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2cn(C)nc2-c2ccccc2)C1 ZINC000538304470 504198284 /nfs/dbraw/zinc/19/82/84/504198284.db2.gz IBMVRSRBVNOISN-HXUWFJFHSA-N 2 0 356.514 3.020 20 0 FGADRP C[C@H](CNC(=O)CC[N@H+](C)C1CCCCC1)N1CCc2sccc2C1 ZINC000547732296 504203208 /nfs/dbraw/zinc/20/32/08/504203208.db2.gz VLBLSGCJBHMSSU-MRXNPFEDSA-N 2 0 363.571 3.266 20 0 FGADRP CC[NH+](CC)Cc1ccc(CNC(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)cc1 ZINC000519370628 504204395 /nfs/dbraw/zinc/20/43/95/504204395.db2.gz NDDBGZLSRHPWGS-OAQYLSRUSA-N 2 0 372.557 3.298 20 0 FGADRP CC[N@H+](CCC1CCN(C(=O)Cn2cnc3c2CCCC3)CC1)CC(C)C ZINC000544661801 504207633 /nfs/dbraw/zinc/20/76/33/504207633.db2.gz YUXMJIRKPSMUOE-UHFFFAOYSA-N 2 0 374.573 3.369 20 0 FGADRP CC[NH+](CC)CC1CCN(C(=O)NCC[NH+]2[C@@H](C)CCC[C@@H]2C)CC1 ZINC000519388435 504209943 /nfs/dbraw/zinc/20/99/43/504209943.db2.gz MWJTUCONKBNLMC-ROUUACIJSA-N 2 0 352.567 3.013 20 0 FGADRP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)NCC2(C[NH+](C)C)CCCC2)C1 ZINC000544701848 504225825 /nfs/dbraw/zinc/22/58/25/504225825.db2.gz AWAWMJQCQJFACE-RTBURBONSA-N 2 0 366.594 3.166 20 0 FGADRP C[C@@H]1C[N@@H+](CCCC[NH2+][C@@H](c2ccccc2)c2cncnc2)C[C@H](C)O1 ZINC000541744145 504240476 /nfs/dbraw/zinc/24/04/76/504240476.db2.gz XFWLPCUSGNJDOG-UEXGIBASSA-N 2 0 354.498 3.045 20 0 FGADRP CC[C@H]([NH2+]CCCC[NH+]1CCN(c2cccc(C)c2)CC1)c1ccn(C)n1 ZINC000541745530 504241416 /nfs/dbraw/zinc/24/14/16/504241416.db2.gz MEUDWQCRGXELSF-NRFANRHFSA-N 2 0 369.557 3.372 20 0 FGADRP C[C@@H]1C[C@@H](N(C)C(=O)NC[C@H](c2ccc(Cl)cc2)[NH+](C)C)CC[N@@H+]1C ZINC000531318510 504264793 /nfs/dbraw/zinc/26/47/93/504264793.db2.gz TZBKLOUWIAXIIW-FHLIZLRMSA-N 2 0 366.937 3.067 20 0 FGADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1sccc1C[NH+](C)C ZINC000519602062 504269413 /nfs/dbraw/zinc/26/94/13/504269413.db2.gz JMZHRUBHAUJWGN-QFBILLFUSA-N 2 0 371.550 3.450 20 0 FGADRP CC(C)C[C@H]([NH2+][C@@H](C)c1cnc2ccsc2c1)C(=O)NCC[NH+](C)C ZINC000538545663 504279917 /nfs/dbraw/zinc/27/99/17/504279917.db2.gz XXELZBKZSIRJEY-YOEHRIQHSA-N 2 0 362.543 3.039 20 0 FGADRP COC(=O)c1cc2c(o1)c(OC)ccc2C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000531380850 504287766 /nfs/dbraw/zinc/28/77/66/504287766.db2.gz JQIWSIWFLVXAEA-MQVJKMGUSA-N 2 0 372.465 3.333 20 0 FGADRP CC[NH+](CC)CC1CCN(C(=O)[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000519652567 504290031 /nfs/dbraw/zinc/29/00/31/504290031.db2.gz SZHXLWHGDIJWBO-OAQYLSRUSA-N 2 0 357.542 3.089 20 0 FGADRP C[N@H+](CCNC(=O)C1CC[NH+](CCC(C)(C)C)CC1)Cc1ccccc1 ZINC000531406008 504295723 /nfs/dbraw/zinc/29/57/23/504295723.db2.gz YVJGYQDDBNFVTA-UHFFFAOYSA-N 2 0 359.558 3.383 20 0 FGADRP CC(C)C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000528659702 504318139 /nfs/dbraw/zinc/31/81/39/504318139.db2.gz YEWDPINSTYNWHY-WSWWRLHASA-N 2 0 371.569 3.380 20 0 FGADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2c[nH]nc2-c2cccc(C)c2)C1 ZINC000538749646 504356456 /nfs/dbraw/zinc/35/64/56/504356456.db2.gz YYPRSGXKWXUVOY-HXUWFJFHSA-N 2 0 356.514 3.318 20 0 FGADRP CC(C)C[NH+]1CCN(C(=O)CCn2c3ccccc3nc2C2CC2)CC1 ZINC000538753107 504359180 /nfs/dbraw/zinc/35/91/80/504359180.db2.gz NQTWKUXCIUBWDW-UHFFFAOYSA-N 2 0 354.498 3.104 20 0 FGADRP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]CC2CCSCC2)CC1 ZINC000538851617 504392898 /nfs/dbraw/zinc/39/28/98/504392898.db2.gz VKWDEJWRCFZWHJ-UHFFFAOYSA-N 2 0 353.963 3.325 20 0 FGADRP CC[NH+](CC)C[C@@H](C)NC(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000520004441 504397799 /nfs/dbraw/zinc/39/77/99/504397799.db2.gz JFQCOXIDEJQBJU-GOSISDBHSA-N 2 0 360.546 3.202 20 0 FGADRP CC[C@@H](C(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1)[NH+](CC)CC ZINC000538880695 504403839 /nfs/dbraw/zinc/40/38/39/504403839.db2.gz NZQZUPUEBFVGKR-FQEVSTJZSA-N 2 0 360.546 3.267 20 0 FGADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]CCNc1ncc(C(F)(F)F)cc1Cl ZINC000531723896 504405175 /nfs/dbraw/zinc/40/51/75/504405175.db2.gz RDYYEUNVSRQPNF-UHIISALHSA-N 2 0 364.843 3.484 20 0 FGADRP CC(C)[N@H+](C)Cc1ccccc1C[NH2+]C1CCN(c2cnccn2)CC1 ZINC000531938102 504480902 /nfs/dbraw/zinc/48/09/02/504480902.db2.gz AOCKILUETAKNIU-UHFFFAOYSA-N 2 0 353.514 3.075 20 0 FGADRP C[C@H](CCNC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCCCC1 ZINC000542450690 504494375 /nfs/dbraw/zinc/49/43/75/504494375.db2.gz IEWXRZYOQVAHIX-TZIWHRDSSA-N 2 0 372.557 3.167 20 0 FGADRP C[C@@H](CCNC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1)[NH+]1CCCCC1 ZINC000542451780 504495505 /nfs/dbraw/zinc/49/55/05/504495505.db2.gz ORQMIQRSCKIAAK-FPOVZHCZSA-N 2 0 357.542 3.279 20 0 FGADRP CC[NH+](CC)CCOC1CC[NH+](Cc2cc(-n3ccnc3)cs2)CC1 ZINC000542464885 504500461 /nfs/dbraw/zinc/50/04/61/504500461.db2.gz NFYNHMSBNLYEIV-UHFFFAOYSA-N 2 0 362.543 3.257 20 0 FGADRP CCOc1ccc([C@@H](C)NC(=O)CCC[NH2+]C2CC[NH+](CC)CC2)cc1 ZINC000539295153 504522526 /nfs/dbraw/zinc/52/25/26/504522526.db2.gz KRWQNBAEYHYMCH-QGZVFWFLSA-N 2 0 361.530 3.117 20 0 FGADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H]2CCCOc3cc(Cl)ccc32)CC1 ZINC000539307067 504525339 /nfs/dbraw/zinc/52/53/39/504525339.db2.gz NVZZJYNAJCQIAS-CRAIPNDOSA-N 2 0 351.922 3.169 20 0 FGADRP COc1ccc(CN2CC[C@H]2CNC(=O)Nc2c(C)cc(C)nc2C)cc1 ZINC000529105159 504537496 /nfs/dbraw/zinc/53/74/96/504537496.db2.gz SCISRCRWILUGGN-SFHVURJKSA-N 2 0 368.481 3.411 20 0 FGADRP CC[C@@H](CN[C@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21)[NH+]1CCCC1 ZINC000539364920 504542062 /nfs/dbraw/zinc/54/20/62/504542062.db2.gz JHGWVCBSOUOHMT-ICSRJNTNSA-N 2 0 357.542 3.439 20 0 FGADRP CS(=O)(=O)c1ccc(CN2CCC[C@@H](c3ncc4n3CCCC4)C2)cc1 ZINC000548791902 504568708 /nfs/dbraw/zinc/56/87/08/504568708.db2.gz UBBWQZJBYWOOHY-QGZVFWFLSA-N 2 0 373.522 3.003 20 0 FGADRP C[C@H](CC[NH+](C)C)[NH2+][C@H](C)CC(=O)Nc1ccc(Br)cc1 ZINC000532218682 504576482 /nfs/dbraw/zinc/57/64/82/504576482.db2.gz JKZQOIIHUCBIFA-CHWSQXEVSA-N 2 0 356.308 3.096 20 0 FGADRP CC1CC[NH+]([C@@H](CNC(=O)NCC2=CC[N@H+](C)CC2)c2ccccc2)CC1 ZINC000539485542 504586577 /nfs/dbraw/zinc/58/65/77/504586577.db2.gz GIKOCQNTGWHQCL-NRFANRHFSA-N 2 0 370.541 3.021 20 0 FGADRP CCC[NH+]1CCN(c2ccccc2C[NH2+][C@H]2CCOC3(CCC3)C2)CC1 ZINC000532270290 504592300 /nfs/dbraw/zinc/59/23/00/504592300.db2.gz ZQHFRTXPAKVNKP-FQEVSTJZSA-N 2 0 357.542 3.410 20 0 FGADRP C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)N[C@@H]3CC[NH2+]C34CCC4)cc2)C1 ZINC000529290647 504621711 /nfs/dbraw/zinc/62/17/11/504621711.db2.gz UJBRJIVYRJXHGC-YLJYHZDGSA-N 2 0 370.541 3.002 20 0 FGADRP COc1cc(C)ccc1[C@@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000542848357 504633194 /nfs/dbraw/zinc/63/31/94/504633194.db2.gz KNAQAKOTXSMDAK-XLIONFOSSA-N 2 0 354.494 3.421 20 0 FGADRP Cc1ccc([C@H](C)[NH2+][C@@H](Cc2ccccc2)C(=O)NCC[NH+](C)C)cc1C ZINC000539688270 504653413 /nfs/dbraw/zinc/65/34/13/504653413.db2.gz RUFZUZGFRWHQBW-UGKGYDQZSA-N 2 0 367.537 3.243 20 0 FGADRP COc1cc(C)ccc1[C@@H](C)[NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000532497714 504672227 /nfs/dbraw/zinc/67/22/27/504672227.db2.gz PRSDTVWPFBLJKS-QGZVFWFLSA-N 2 0 369.509 3.146 20 0 FGADRP CC(C)[NH+]1CCC([NH2+]C[C@H](CO)Cc2cccc(OC(F)(F)F)c2)CC1 ZINC000532531841 504684809 /nfs/dbraw/zinc/68/48/09/504684809.db2.gz UDKDNTGUFRKMEK-MRXNPFEDSA-N 2 0 374.447 3.199 20 0 FGADRP CC[NH+](CC)Cc1ccccc1CNC(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000546053483 504689604 /nfs/dbraw/zinc/68/96/04/504689604.db2.gz AZAUFBBEPKVFEH-UHFFFAOYSA-N 2 0 374.573 3.450 20 0 FGADRP C[N@@H+]1CCC[C@H](CCNC(=O)[C@@H]2CCCN2Cc2ccc(Cl)cc2)C1 ZINC000529484348 504693933 /nfs/dbraw/zinc/69/39/33/504693933.db2.gz WSHDOCJEMHWCIG-APWZRJJASA-N 2 0 363.933 3.153 20 0 FGADRP c1ccc(-c2ncc(C[NH+]3CCC(CC[NH+]4CCOCC4)CC3)cn2)cc1 ZINC000549201349 504722145 /nfs/dbraw/zinc/72/21/45/504722145.db2.gz IFFPBQLFLYBZMO-UHFFFAOYSA-N 2 0 366.509 3.078 20 0 FGADRP CN(c1ccccc1C[N@@H+]1CCC[C@H]([C@@H]2CCOC2)C1)C1CC[NH+](C)CC1 ZINC000539899338 504735069 /nfs/dbraw/zinc/73/50/69/504735069.db2.gz DRFQOPILYOGUIM-PZJWPPBQSA-N 2 0 371.569 3.466 20 0 FGADRP COc1ccc(-c2noc([C@@H](C)[N@@H+]3CC[C@H](c4nccn4C)C3)n2)cc1 ZINC000521455944 504740298 /nfs/dbraw/zinc/74/02/98/504740298.db2.gz WOLVKBHJRNNNFJ-HIFRSBDPSA-N 2 0 353.426 3.029 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1Cc1ccccc1)c1ccco1 ZINC000521487103 504746529 /nfs/dbraw/zinc/74/65/29/504746529.db2.gz VYXGAMJWPXZMHF-UXHICEINSA-N 2 0 369.509 3.443 20 0 FGADRP C[C@H](C[NH2+]C[C@H]1CCN1C1CCCCC1)c1ccc(S(C)(=O)=O)cc1 ZINC000529641217 504750456 /nfs/dbraw/zinc/75/04/56/504750456.db2.gz OFVWRUFVCVPLQP-VQIMIIECSA-N 2 0 364.555 3.190 20 0 FGADRP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH2+]C[C@H]1CCC2(CCOCC2)[C@@H]1O ZINC000549261197 504776231 /nfs/dbraw/zinc/77/62/31/504776231.db2.gz JTEOQUNDJLJHJD-NHCUHLMSSA-N 2 0 374.569 3.302 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1CCCNC(=O)C[C@@H](c1ncc[nH]1)c1ccccc1 ZINC000552866924 504778198 /nfs/dbraw/zinc/77/81/98/504778198.db2.gz YHNUGCATNJPABH-IEBWSBKVSA-N 2 0 354.498 3.312 20 0 FGADRP C[C@H]1CCCC[N@@H+]1CCCNC(=O)C[C@@H](c1ncc[nH]1)c1ccccc1 ZINC000552866926 504778292 /nfs/dbraw/zinc/77/82/92/504778292.db2.gz YHNUGCATNJPABH-PKOBYXMFSA-N 2 0 354.498 3.312 20 0 FGADRP CC(C)c1[nH+]c(CN2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)c2ccccn21 ZINC000565081931 504788892 /nfs/dbraw/zinc/78/88/92/504788892.db2.gz WOOGBOBHBDAVRS-PWIZWCRZSA-N 2 0 356.514 3.141 20 0 FGADRP [NH3+]CCC1CCN(C(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)CC1 ZINC000565099572 504793492 /nfs/dbraw/zinc/79/34/92/504793492.db2.gz UTOMETZXUROFMG-UHFFFAOYSA-N 2 0 372.557 3.333 20 0 FGADRP COCc1ccc(C[N@H+](C)CCN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000559244300 504806600 /nfs/dbraw/zinc/80/66/00/504806600.db2.gz VDWXLWPNWZUIQF-UHFFFAOYSA-N 2 0 367.537 3.083 20 0 FGADRP [NH3+][C@H]1CCCO[C@H]1C1CC[NH+](Cc2c[nH]nc2-c2ccc(Cl)cc2)CC1 ZINC000565351291 504862714 /nfs/dbraw/zinc/86/27/14/504862714.db2.gz FGNDGWLUWMAXID-ICSRJNTNSA-N 2 0 374.916 3.448 20 0 FGADRP CCSc1ccc([C@H](C)[NH2+]CC(=O)NC2CC[NH+](C3CC3)CC2)cc1 ZINC000553311964 504880023 /nfs/dbraw/zinc/88/00/23/504880023.db2.gz QGMUKRZAYBLXFJ-HNNXBMFYSA-N 2 0 361.555 3.192 20 0 FGADRP O=C(c1ccc2c[nH+]cn2c1)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000559548547 504885063 /nfs/dbraw/zinc/88/50/63/504885063.db2.gz NEYXHBWCUYCMCW-DENIHFKCSA-N 2 0 374.488 3.461 20 0 FGADRP C[C@H]1CCCC[N@@H+]1CCC(=O)N1CCC[NH+](Cc2ccccc2)C[C@@H]1C ZINC000549766121 504892114 /nfs/dbraw/zinc/89/21/14/504892114.db2.gz GOVUXKHSQJQBEO-PMACEKPBSA-N 2 0 357.542 3.374 20 0 FGADRP C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000553390865 504902162 /nfs/dbraw/zinc/90/21/62/504902162.db2.gz PWIMINDVJBFSQK-WIYYLYMNSA-N 2 0 370.541 3.051 20 0 FGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H]2C[C@@H](Oc3ccccc3)C2(C)C)CC1 ZINC000556585619 504911244 /nfs/dbraw/zinc/91/12/44/504911244.db2.gz NFFAVQPEJSZKTI-HLAWJBBLSA-N 2 0 359.558 3.096 20 0 FGADRP CCC[C@]1([NH2+]Cc2cncc(C[NH2+][C@@]3(CCC)CCOC3)c2)CCOC1 ZINC000562706112 504915860 /nfs/dbraw/zinc/91/58/60/504915860.db2.gz BLIQEFMCPUMVKQ-SFTDATJTSA-N 2 0 361.530 3.179 20 0 FGADRP CC[C@H](Cn1cncn1)[NH2+]Cc1ccccc1C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000559896616 504946746 /nfs/dbraw/zinc/94/67/46/504946746.db2.gz VSQNTSUCPFFDCD-BBTUJRGHSA-N 2 0 355.530 3.324 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)NCC1CC[NH+](CC)CC1)c1ccsc1 ZINC000565668806 504954324 /nfs/dbraw/zinc/95/43/24/504954324.db2.gz DGQRMEMJUACTCM-GOSISDBHSA-N 2 0 366.575 3.162 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)Nc2cccc3c2CC[NH2+]C3)C1 ZINC000565705067 504964046 /nfs/dbraw/zinc/96/40/46/504964046.db2.gz FULKMLNGRYOQQU-MSOLQXFVSA-N 2 0 370.541 3.451 20 0 FGADRP NC(=O)[C@H]1CC[C@H](C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000562939785 504994727 /nfs/dbraw/zinc/99/47/27/504994727.db2.gz WFNMNRHTTPEQFK-JFZIVLOISA-N 2 0 369.553 3.168 20 0 FGADRP C[C@@H]1CC2(C[N@@H+]1CCc1nc(-c3cccc(Cl)c3)no1)CC[NH2+]CC2 ZINC000562970038 505004387 /nfs/dbraw/zinc/00/43/87/505004387.db2.gz RXPXSRPBVYVNTJ-CQSZACIVSA-N 2 0 360.889 3.397 20 0 FGADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N1C[C@H]([NH+]2CCCC2)C[C@@H]1C ZINC000553777732 505007312 /nfs/dbraw/zinc/00/73/12/505007312.db2.gz HFBDFWOEKSGTIA-GHTZIAJQSA-N 2 0 372.557 3.295 20 0 FGADRP C(CC[NH+]1CCC[C@@H]1[C@@H]1CCCO1)CC[N@@H+]1CCC[C@H]1[C@H]1CCCO1 ZINC000560184336 505014296 /nfs/dbraw/zinc/01/42/96/505014296.db2.gz QJPIIWNVINYYLH-UJOPUZHASA-N 2 0 350.547 3.444 20 0 FGADRP C[C@H](CC(=O)N1CCC[N@H+](CCCc2ccccc2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000563046618 505032319 /nfs/dbraw/zinc/03/23/19/505032319.db2.gz CDBJQLSIYQJFCF-IFMALSPDSA-N 2 0 371.569 3.179 20 0 FGADRP CC[C@H](CNC(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+])[N@@H+]1CCc2ccccc2C1 ZINC000563093016 505045615 /nfs/dbraw/zinc/04/56/15/505045615.db2.gz WLALNQKDLGDIGT-MWQHXSLNSA-N 2 0 369.553 3.093 20 0 FGADRP C[NH+](C)C[C@@H](NC(=O)c1ccc2c(c1)CC[NH2+]CC2)c1ccc(Cl)cc1 ZINC000563097732 505046758 /nfs/dbraw/zinc/04/67/58/505046758.db2.gz CBOHPVOGILIIDG-HXUWFJFHSA-N 2 0 371.912 3.061 20 0 FGADRP COc1nc2ccccc2cc1C[NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000560327714 505047024 /nfs/dbraw/zinc/04/70/24/505047024.db2.gz MZDOHLUNXNGGPT-IAGOWNOFSA-N 2 0 357.498 3.222 20 0 FGADRP CC[NH+](CC)CCOc1ccc(C(=O)N2CC3(C[C@@H]2C)CC[NH2+]CC3)cc1 ZINC000563209764 505076101 /nfs/dbraw/zinc/07/61/01/505076101.db2.gz YMIDJRJHTUZFQR-SFHVURJKSA-N 2 0 373.541 3.011 20 0 FGADRP COCCN(C)CC[C@H]([NH2+][C@@H]1CCO[C@H](C(F)(F)F)C1)c1ccccc1 ZINC000554069451 505080721 /nfs/dbraw/zinc/08/07/21/505080721.db2.gz RUZFUOTZCDCHEF-SQNIBIBYSA-N 2 0 374.447 3.396 20 0 FGADRP CN(CCC[N@H+](C)Cc1ccncc1)C(=O)C[C@H](c1ccccc1)[NH+](C)C ZINC000563262478 505090937 /nfs/dbraw/zinc/09/09/37/505090937.db2.gz OIBNVPHPEHVHSQ-OAQYLSRUSA-N 2 0 368.525 3.055 20 0 FGADRP c1ccc(-c2n[nH]c([C@@H]3CCC[N@@H+](Cc4ccc5c(c4)C[NH2+]CC5)C3)n2)cc1 ZINC000563271563 505092510 /nfs/dbraw/zinc/09/25/10/505092510.db2.gz XGKKXJWZOGOYGB-HXUWFJFHSA-N 2 0 373.504 3.497 20 0 FGADRP CC(C)[NH2+]CCCNC(=O)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000557217272 505094230 /nfs/dbraw/zinc/09/42/30/505094230.db2.gz RWSUOARKTDVXBL-UHFFFAOYSA-N 2 0 372.557 3.072 20 0 FGADRP CCc1ccc([C@H](CNC(=O)N[C@@H]2C[C@H](C)n3ccnc32)[NH+](C)C)cc1 ZINC000560492806 505103046 /nfs/dbraw/zinc/10/30/46/505103046.db2.gz UEZXURKSBRTIPR-QGTPRVQTSA-N 2 0 355.486 3.053 20 0 FGADRP C[N@@H+]1CCC[C@H](CNC(=O)C[C@@H]([NH3+])Cc2ccccc2)[C@H]1c1cccs1 ZINC000566185390 505106733 /nfs/dbraw/zinc/10/67/33/505106733.db2.gz BOLZCCGXIVGVRC-LQWHRVPQSA-N 2 0 371.550 3.207 20 0 FGADRP NC(=O)C1CCC([NH2+][C@@H]2CCCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000560521587 505113076 /nfs/dbraw/zinc/11/30/76/505113076.db2.gz VZKCIKQXCAQOAT-PYCJISIWSA-N 2 0 369.553 3.311 20 0 FGADRP C[C@@H]([NH2+]CCCN1CC[N@H+](C)C[C@@H]1c1ccccc1)c1ccncc1F ZINC000550885619 505119674 /nfs/dbraw/zinc/11/96/74/505119674.db2.gz ITSHDJWJYOPJSF-DYESRHJHSA-N 2 0 356.489 3.250 20 0 FGADRP CC1CC[NH+](CCC[C@@H]([NH2+]CC(C)(C)C(N)=O)c2ccc(F)cc2)CC1 ZINC000550940476 505126894 /nfs/dbraw/zinc/12/68/94/505126894.db2.gz OOTOJAOJXBLGIO-LJQANCHMSA-N 2 0 363.521 3.480 20 0 FGADRP C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)[C@H]([NH3+])c2ccccc2)C1 ZINC000554301364 505139857 /nfs/dbraw/zinc/13/98/57/505139857.db2.gz FEOMGBFDJQOGCJ-LAUBAEHRSA-N 2 0 351.494 3.235 20 0 FGADRP C[C@@H](CC(=O)Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1)n1ccnc1 ZINC000566308612 505140299 /nfs/dbraw/zinc/14/02/99/505140299.db2.gz UJBXVAKSFMQXCV-KRWDZBQOSA-N 2 0 367.497 3.005 20 0 FGADRP COc1cc(C[NH+]2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)cc(Cl)c1OC ZINC000563460583 505146551 /nfs/dbraw/zinc/14/65/51/505146551.db2.gz HZEAYFICOMWALL-DOTOQJQBSA-N 2 0 368.905 3.076 20 0 FGADRP CCN(CC[NH+]1CCCCCC1)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000554449084 505176356 /nfs/dbraw/zinc/17/63/56/505176356.db2.gz ZLDPHKARMJKYHZ-UHFFFAOYSA-N 2 0 352.567 3.203 20 0 FGADRP C[NH+](C)C[C@@H](NC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)c1ccc(F)cc1 ZINC000554449228 505176646 /nfs/dbraw/zinc/17/66/46/505176646.db2.gz FHVSBCBUGUPBNO-UXHICEINSA-N 2 0 372.488 3.031 20 0 FGADRP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]Cc2ccc(Cn3cncn3)cc2)CC1 ZINC000563562253 505176878 /nfs/dbraw/zinc/17/68/78/505176878.db2.gz MVOJJSHVIGNQOH-XMSQKQJNSA-N 2 0 367.541 3.459 20 0 FGADRP C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000554481272 505183654 /nfs/dbraw/zinc/18/36/54/505183654.db2.gz XUZWPYUURONKCT-QYZOEREBSA-N 2 0 374.529 3.075 20 0 FGADRP C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000554481269 505183805 /nfs/dbraw/zinc/18/38/05/505183805.db2.gz XUZWPYUURONKCT-CEXWTWQISA-N 2 0 374.529 3.075 20 0 FGADRP [NH3+][C@@H]1CCC[C@H]([NH2+]CCCOc2ncc(C(F)(F)F)cc2Cl)C1 ZINC000566483718 505187355 /nfs/dbraw/zinc/18/73/55/505187355.db2.gz WKRKSBRLYRTPKA-NEPJUHHUSA-N 2 0 351.800 3.382 20 0 FGADRP C[C@H]([NH2+][C@H]1CCN(CC(F)(F)F)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000554549627 505204435 /nfs/dbraw/zinc/20/44/35/505204435.db2.gz FACCCIHTLNBWAQ-JQHSSLGASA-N 2 0 355.448 3.123 20 0 FGADRP Cc1ccc(S(=O)(=O)C[C@@H](C)[NH2+]CCCCC[NH+]2CCCC2)cc1 ZINC000563671186 505206610 /nfs/dbraw/zinc/20/66/10/505206610.db2.gz QZTHEOARTGWAOD-GOSISDBHSA-N 2 0 352.544 3.013 20 0 FGADRP NC(=O)C1CC[NH+](Cc2ccc(C[NH2+][C@@H]3CCCC34CCC4)cc2)CC1 ZINC000560887116 505207297 /nfs/dbraw/zinc/20/72/97/505207297.db2.gz VYCLTFJSGWSMRB-HXUWFJFHSA-N 2 0 355.526 3.196 20 0 FGADRP O[C@@H]1CCC[C@@H]1[C@H]1CCC[NH+]1CCCC[N@H+]1CCC[C@H]1[C@H]1CCC[C@H]1O ZINC000563680621 505209748 /nfs/dbraw/zinc/20/97/48/505209748.db2.gz AQIJVTXSSOIFHL-WHVWYTALSA-N 2 0 364.574 3.017 20 0 FGADRP COCCN(C)C[C@H](O)C[N@@H+]1CC[C@H](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000566686363 505243844 /nfs/dbraw/zinc/24/38/44/505243844.db2.gz KVTATZHHAITGEJ-WBAXXEDZSA-N 2 0 374.447 3.027 20 0 FGADRP Fc1ccc(/C=C\C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)cc1F ZINC000554855373 505282034 /nfs/dbraw/zinc/28/20/34/505282034.db2.gz QZKPKSWSJBXIDF-UPHRSURJSA-N 2 0 350.453 3.412 20 0 FGADRP [NH3+][C@H]1CCO[C@H](C2CC[NH+](Cc3coc(-c4ccc(F)cc4)n3)CC2)C1 ZINC000561283531 505304288 /nfs/dbraw/zinc/30/42/88/505304288.db2.gz HTLGJPQPYKVVOK-HKUYNNGSSA-N 2 0 359.445 3.199 20 0 FGADRP C[C@@H]1C[C@@H]([NH2+]Cc2nnc(C3CC[NH2+]CC3)[nH]2)C[C@@H](c2ccccc2)C1 ZINC000566968293 505326397 /nfs/dbraw/zinc/32/63/97/505326397.db2.gz MPPVMWMAJVZXNX-ZYSHUDEJSA-N 2 0 353.514 3.334 20 0 FGADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000555133778 505359597 /nfs/dbraw/zinc/35/95/97/505359597.db2.gz WRJBKCHFCCTJRF-MAUKXSAKSA-N 2 0 366.937 3.116 20 0 FGADRP CCCC[N@H+](C)C[C@@H](C)NC(=O)N[C@@H]1CC[NH+]([C@H](C)c2ccccc2)C1 ZINC000555148161 505363901 /nfs/dbraw/zinc/36/39/01/505363901.db2.gz IKJZPPMTXQEDCY-QWFCFKBJSA-N 2 0 360.546 3.242 20 0 FGADRP CCCC[N@H+](C)C[C@@H](C)NC(=O)N[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000555162636 505367710 /nfs/dbraw/zinc/36/77/10/505367710.db2.gz RJGHQIOATYVVMK-SVFBPWRDSA-N 2 0 374.573 3.459 20 0 FGADRP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)CCO[C@H]3CCCCO3)C2)s1 ZINC000564294120 505374799 /nfs/dbraw/zinc/37/47/99/505374799.db2.gz WMQOGSIDKWGYOH-MJGOQNOKSA-N 2 0 352.544 3.353 20 0 FGADRP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1cc(OC)c(O)c(OC)c1 ZINC000564315829 505380675 /nfs/dbraw/zinc/38/06/75/505380675.db2.gz XEMYOIWHDSYPRS-UHFFFAOYSA-N 2 0 358.482 3.493 20 0 FGADRP Cc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)c(OC[C@H]2CCOC2)c1 ZINC000552046302 505381027 /nfs/dbraw/zinc/38/10/27/505381027.db2.gz CNHQZIWMXPLLQJ-MJUUVYJYSA-N 2 0 358.526 3.373 20 0 FGADRP CC(C)N(CC[NH+](C)C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000555213823 505381248 /nfs/dbraw/zinc/38/12/48/505381248.db2.gz CAACIAMSRVPZFK-FQEVSTJZSA-N 2 0 374.573 3.269 20 0 FGADRP CS[C@H](CO)[C@H](C)[NH2+][C@@H]1CCCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000552047642 505381314 /nfs/dbraw/zinc/38/13/14/505381314.db2.gz TWXVVTVUEWKMHB-OFOKGCAXSA-N 2 0 362.583 3.379 20 0 FGADRP CC[C@H]([NH2+]C[C@H](C)N1CC[NH+](C)CC1)c1ccc(OC(F)(F)F)cc1 ZINC000552048624 505382285 /nfs/dbraw/zinc/38/22/85/505382285.db2.gz YIYBXCZBNGCMNJ-YOEHRIQHSA-N 2 0 359.436 3.262 20 0 FGADRP CC(C)n1c2ccccc2nc1[C@H]1CCCN(C[C@@H](O)C[N@H+](C)C2CC2)C1 ZINC000564336844 505387840 /nfs/dbraw/zinc/38/78/40/505387840.db2.gz BXARUYJWBYXSRH-HKUYNNGSSA-N 2 0 370.541 3.252 20 0 FGADRP CC[C@H]1CN(C(=O)CCN(C)c2cc[nH+]cc2)CC[N@@H+]1Cc1ccccc1 ZINC000558517555 505414666 /nfs/dbraw/zinc/41/46/66/505414666.db2.gz HPUBVHZZQFTTSR-FQEVSTJZSA-N 2 0 366.509 3.031 20 0 FGADRP Cc1ncc2n1CC[C@H](C(=O)NC1CC[NH+]([C@@H](C)c3ccccc3)CC1)C2 ZINC000564472378 505428550 /nfs/dbraw/zinc/42/85/50/505428550.db2.gz CQYICCIHTHFWDH-LPHOPBHVSA-N 2 0 366.509 3.096 20 0 FGADRP C[C@@H](CC(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1ccccc1C(F)(F)F ZINC000558592234 505432831 /nfs/dbraw/zinc/43/28/31/505432831.db2.gz KSLWGKUATMOJGB-HNNXBMFYSA-N 2 0 373.463 3.151 20 0 FGADRP [NH3+]CC[C@H]1CCCN(C(=O)NC[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)C1 ZINC000567337014 505434515 /nfs/dbraw/zinc/43/45/15/505434515.db2.gz LCENKUJTIZSSJO-RTWAWAEBSA-N 2 0 372.557 3.059 20 0 FGADRP CC(C)COC[C@H](O)C[NH2+][C@@H]1CCCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000552250873 505440723 /nfs/dbraw/zinc/44/07/23/505440723.db2.gz DHWGHFHNDAPSNQ-BXXSPATCSA-N 2 0 374.569 3.300 20 0 FGADRP C[C@H]1C[NH+](CCCC[NH2+]Cc2conc2Cc2ccccc2)C[C@H](C)O1 ZINC000555530029 505447795 /nfs/dbraw/zinc/44/77/95/505447795.db2.gz JSWZCJOOXKIIHS-ROUUACIJSA-N 2 0 357.498 3.244 20 0 FGADRP [NH3+]C[C@@H](NC(=O)NCC1CC[NH+](C2CC2)CC1)c1ccc2ccccc2c1 ZINC000564553570 505451128 /nfs/dbraw/zinc/45/11/28/505451128.db2.gz VMYKSJLEQJKPHS-OAQYLSRUSA-N 2 0 366.509 3.013 20 0 FGADRP CN1CC[NH+](CCCC[NH2+]Cc2ccc(-c3cccc(F)c3F)o2)CC1 ZINC000567418721 505456962 /nfs/dbraw/zinc/45/69/62/505456962.db2.gz CMNPDIDBFMYYNO-UHFFFAOYSA-N 2 0 363.452 3.342 20 0 FGADRP C[C@@H](c1ccc(NC(=O)CC[N@@H+]2CCCC[C@@H]2C)cc1)N1CCOCC1 ZINC000555558097 505457069 /nfs/dbraw/zinc/45/70/69/505457069.db2.gz GEESCFMPFXLBPW-ROUUACIJSA-N 2 0 359.514 3.283 20 0 FGADRP COCC1(CC[NH2+]Cc2c(Cl)cccc2N2CC[NH+](C)CC2)CCC1 ZINC000555606693 505472614 /nfs/dbraw/zinc/47/26/14/505472614.db2.gz OKVGMXVZXDZYQE-UHFFFAOYSA-N 2 0 365.949 3.388 20 0 FGADRP Clc1ccccc1[C@@H]1CCC[C@@H]1[NH2+]Cc1nnc(C2CC[NH2+]CC2)[nH]1 ZINC000567492572 505479553 /nfs/dbraw/zinc/47/95/53/505479553.db2.gz GBGHYHMGPVFCDU-RDJZCZTQSA-N 2 0 359.905 3.351 20 0 FGADRP C[N@@H+]1CC[C@H]([NH2+]Cc2cccc(NC(=O)c3ccccn3)c2)[C@@H]2CCC[C@@H]21 ZINC000567532282 505490121 /nfs/dbraw/zinc/49/01/21/505490121.db2.gz RQSDHJFKDXVQJS-ZJOUEHCJSA-N 2 0 364.493 3.296 20 0 FGADRP O[C@@H](C[NH2+]CCC[NH+]1CCCC1)Cn1c2ccccc2c2ccccc21 ZINC000552437548 505491728 /nfs/dbraw/zinc/49/17/28/505491728.db2.gz JPLHWWKYUNKYCN-SFHVURJKSA-N 2 0 351.494 3.231 20 0 FGADRP Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+][C@@H](C)C[C@@H](C)[NH3+] ZINC000567589183 505508217 /nfs/dbraw/zinc/50/82/17/505508217.db2.gz ZRLRCVMIWBWQRC-NEPJUHHUSA-N 2 0 351.292 3.159 20 0 FGADRP COc1ccc(Cl)cc1NC(=O)CCN1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000564787850 505520242 /nfs/dbraw/zinc/52/02/42/505520242.db2.gz JZFOUJPTIYBTCO-RDJZCZTQSA-N 2 0 365.905 3.284 20 0 FGADRP c1cn(-c2cccc(C[NH2+][C@H]3C[C@@]4(CC[NH2+]C4)Oc4ccccc43)c2)cn1 ZINC000567641534 505522258 /nfs/dbraw/zinc/52/22/58/505522258.db2.gz LWKVERPILOSKPS-RBBKRZOGSA-N 2 0 360.461 3.218 20 0 FGADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000562120520 505523547 /nfs/dbraw/zinc/52/35/47/505523547.db2.gz MCZPZJNVLUPVEZ-BGYRXZFFSA-N 2 0 369.553 3.374 20 0 FGADRP C[C@@H](NC(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)cc1)C(C)(C)C[NH+](C)C ZINC000558908675 505527292 /nfs/dbraw/zinc/52/72/92/505527292.db2.gz TWEUNVAHAJHGKO-PBHICJAKSA-N 2 0 368.953 3.218 20 0 FGADRP CC[NH+]1CCC(C[NH2+][C@H](C)c2ccc(OCCOC)c(OC)c2)CC1 ZINC000564816654 505528177 /nfs/dbraw/zinc/52/81/77/505528177.db2.gz ABWABKDKFMJANK-MRXNPFEDSA-N 2 0 350.503 3.103 20 0 FGADRP C[C@H](c1ccccc1)[C@H](O)C[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000567691244 505538877 /nfs/dbraw/zinc/53/88/77/505538877.db2.gz SLVNTLOKKCSJST-AUSIDOKSSA-N 2 0 368.521 3.415 20 0 FGADRP C[NH+]1CCN(C[C@H]([NH2+][C@@H]2Cc3[nH]c4ccccc4c3C2)c2ccccc2)CC1 ZINC000555948602 505545961 /nfs/dbraw/zinc/54/59/61/505545961.db2.gz RBSWWSVHIGYVAT-CYFREDJKSA-N 2 0 374.532 3.213 20 0 FGADRP CC1(C(=O)NCc2ccc(C[NH3+])cc2)CC[NH+](Cc2ccccc2)CC1 ZINC000565002057 505566968 /nfs/dbraw/zinc/56/69/68/505566968.db2.gz UREHNHWCEXOCRW-UHFFFAOYSA-N 2 0 351.494 3.064 20 0 FGADRP Brc1cccc(C2([NH2+]CCC3CC[NH2+]CC3)CCOCC2)c1 ZINC000567890831 505570280 /nfs/dbraw/zinc/57/02/80/505570280.db2.gz YQTUIDPOJGPDRI-UHFFFAOYSA-N 2 0 367.331 3.434 20 0 FGADRP O=C1c2ccccc2C(=O)N1CCC[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000582852712 506456145 /nfs/dbraw/zinc/45/61/45/506456145.db2.gz LQVHEWGWLOJQQP-UHFFFAOYSA-N 2 0 369.509 3.059 20 0 FGADRP O=C(Nc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)cc1)c1cccnc1 ZINC000583018695 506544179 /nfs/dbraw/zinc/54/41/79/506544179.db2.gz CXAPLOFXSSFLNE-NJDAHSKKSA-N 2 0 364.493 3.344 20 0 FGADRP c1ccc(N2CC[NH+](CCCC[NH2+]Cc3[nH]nc4ccccc43)CC2)cc1 ZINC000589644942 506617048 /nfs/dbraw/zinc/61/70/48/506617048.db2.gz LQSXFGUVWYTWTK-UHFFFAOYSA-N 2 0 363.509 3.255 20 0 FGADRP C[NH+](C)CCCOc1ccc(NC(=O)N2CCC[C@@H]2C[NH+]2CCCC2)cc1 ZINC000593502053 506656284 /nfs/dbraw/zinc/65/62/84/506656284.db2.gz OWYIWCQIRZKGKB-LJQANCHMSA-N 2 0 374.529 3.109 20 0 FGADRP CC[NH+](CC)Cc1ccc(C(=O)N2CCN(Cc3ccccc3)C[C@H]2C)o1 ZINC000599850725 506677864 /nfs/dbraw/zinc/67/78/64/506677864.db2.gz FPIYTDUOPYMKKY-GOSISDBHSA-N 2 0 369.509 3.468 20 0 FGADRP C[C@H](CNC(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)[NH+]1CCC(C)CC1 ZINC000604112284 506718568 /nfs/dbraw/zinc/71/85/68/506718568.db2.gz SMQCXFBCEHBARD-CTNGQTDRSA-N 2 0 372.557 3.071 20 0 FGADRP Cc1ncncc1[C@@H](C)[NH2+]CCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000583332749 506722140 /nfs/dbraw/zinc/72/21/40/506722140.db2.gz SEHFPEFYCPLMAA-LJQANCHMSA-N 2 0 367.541 3.034 20 0 FGADRP C[NH+](C)C1(CNC(=O)N[C@@H](C[NH+]2CCCCC2)c2ccccc2)CCCC1 ZINC000604158158 506729344 /nfs/dbraw/zinc/72/93/44/506729344.db2.gz VUXIAQGNNOZSTQ-FQEVSTJZSA-N 2 0 372.557 3.387 20 0 FGADRP CN(CCC[N@H+](C)Cc1ccco1)C(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC000583385014 506750302 /nfs/dbraw/zinc/75/03/02/506750302.db2.gz PNAADQSJUPHHHX-SFHVURJKSA-N 2 0 361.530 3.215 20 0 FGADRP CC(C)[N@@H+]1CCCN(C(=O)N[C@H](C[NH+]2CCCCC2)c2ccccc2)CC1 ZINC000604204384 506752926 /nfs/dbraw/zinc/75/29/26/506752926.db2.gz FTQVUYCSVPAHOW-OAQYLSRUSA-N 2 0 372.557 3.339 20 0 FGADRP Cc1cnc2cc(C(=O)NC[C@H](c3ccccc3Cl)N(C)C)ccn12 ZINC000583389714 506753207 /nfs/dbraw/zinc/75/32/07/506753207.db2.gz VLLCKKKOWPLCSF-QGZVFWFLSA-N 2 0 356.857 3.329 20 0 FGADRP C[C@H](NC(=O)[C@H](C)[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)c1ccc2c(c1)CCCC2 ZINC000583565149 506852078 /nfs/dbraw/zinc/85/20/78/506852078.db2.gz SJEAYWKSAJPRDV-KLDKWKSESA-N 2 0 369.553 3.063 20 0 FGADRP Cc1nn(-c2ccccn2)c(C)c1C[NH2+]Cc1ccc(C[NH+](C)C)c(F)c1 ZINC000583577284 506858728 /nfs/dbraw/zinc/85/87/28/506858728.db2.gz RXLLKWTYZUOXIW-UHFFFAOYSA-N 2 0 367.472 3.375 20 0 FGADRP C[C@@H](c1nc2ccccc2s1)[C@H](C)[NH2+]Cc1nnc(C2CC[NH2+]CC2)[nH]1 ZINC000583625871 506884255 /nfs/dbraw/zinc/88/42/55/506884255.db2.gz QHZLCAJAYMFNDT-OLZOCXBDSA-N 2 0 370.526 3.163 20 0 FGADRP C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)c2ccc3c(c2)C[NH2+]C3)CC1 ZINC000583696138 506921863 /nfs/dbraw/zinc/92/18/63/506921863.db2.gz GPRZJARIACDZFS-KRWDZBQOSA-N 2 0 355.526 3.407 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)C1 ZINC000604780683 506940640 /nfs/dbraw/zinc/94/06/40/506940640.db2.gz XAGDKDOYUUCYGX-OTWHNJEPSA-N 2 0 368.610 3.410 20 0 FGADRP C[C@H](c1cccc2ccccc21)[NH+]1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000590790522 506960362 /nfs/dbraw/zinc/96/03/62/506960362.db2.gz DRJPDMRXVCVAMP-GOSISDBHSA-N 2 0 351.494 3.141 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cc2c(cc(F)cc2C)[nH]1 ZINC000604863730 506965944 /nfs/dbraw/zinc/96/59/44/506965944.db2.gz DXNCDYSEEUACPI-KRWDZBQOSA-N 2 0 374.504 3.104 20 0 FGADRP CCN(Cc1ccccc1)C(=O)[C@@H](C)[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000590819066 506980438 /nfs/dbraw/zinc/98/04/38/506980438.db2.gz XUHULYFSQDZUBT-LJQANCHMSA-N 2 0 359.558 3.476 20 0 FGADRP O=C(Nc1ccc2c(c1)C[NH2+]C2)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000583920080 507050913 /nfs/dbraw/zinc/05/09/13/507050913.db2.gz FGBLAOCPODFFAS-FQEVSTJZSA-N 2 0 350.466 3.076 20 0 FGADRP CC(C)[C@H](C(=O)N[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1)[NH+]1CCCCC1 ZINC000591154643 507134543 /nfs/dbraw/zinc/13/45/43/507134543.db2.gz QPWIYKBCSWMTGB-HLAWJBBLSA-N 2 0 357.542 3.449 20 0 FGADRP C[C@H](CNC(=O)NCCCC[N@@H+]1CCCC[C@H]1C)[NH+](C)Cc1ccccc1 ZINC000600854958 507148143 /nfs/dbraw/zinc/14/81/43/507148143.db2.gz YKGMGHQIECKASR-WOJBJXKFSA-N 2 0 374.573 3.461 20 0 FGADRP CC[NH+](CC)CCOc1ccc(NC(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000605340121 507153844 /nfs/dbraw/zinc/15/38/44/507153844.db2.gz MHXDUAYNMQJGAH-RTBURBONSA-N 2 0 374.529 3.156 20 0 FGADRP O=C(Nc1cccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)c1)c1ccccn1 ZINC000584226041 507223185 /nfs/dbraw/zinc/22/31/85/507223185.db2.gz BSXILQBSZAHARS-SLFFLAALSA-N 2 0 364.493 3.344 20 0 FGADRP C[C@H](c1ccccc1)[C@@H](O)C[NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000584227953 507225355 /nfs/dbraw/zinc/22/53/55/507225355.db2.gz UKLSGWGJSFBWGA-JPYJTQIMSA-N 2 0 368.521 3.414 20 0 FGADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)[C@@H](C)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000605518636 507228161 /nfs/dbraw/zinc/22/81/61/507228161.db2.gz QCGCQPNAVPWFCC-KNQAVFIVSA-N 2 0 371.569 3.320 20 0 FGADRP C[C@H](c1cccc(NC(=O)[C@H](C)[NH+]2[C@@H](C)CC[C@@H]2C)c1)N1CCOCC1 ZINC000591463175 507260724 /nfs/dbraw/zinc/26/07/24/507260724.db2.gz ASJUCURFCDZIPR-FJIDUMEYSA-N 2 0 359.514 3.280 20 0 FGADRP [NH3+][C@H](CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)Cc1ccccc1 ZINC000584289303 507262177 /nfs/dbraw/zinc/26/21/77/507262177.db2.gz DMLHZQKWKIWEPH-IBGZPJMESA-N 2 0 369.534 3.134 20 0 FGADRP CN1CC[C@@H]([NH2+]Cc2ccc3c(c2)C[NH2+]CC3)[C@@H]1c1ccc(F)c(F)c1 ZINC000584296705 507264161 /nfs/dbraw/zinc/26/41/61/507264161.db2.gz FCZNTALALWUZDU-RTWAWAEBSA-N 2 0 357.448 3.146 20 0 FGADRP CC[NH+](CC)Cc1cccc(CNC(=O)NC[C@H](C(C)C)[NH+]2CCCC2)c1 ZINC000591556769 507289065 /nfs/dbraw/zinc/28/90/65/507289065.db2.gz PRSBUSKGMYMOEZ-OAQYLSRUSA-N 2 0 374.573 3.448 20 0 FGADRP C[C@H](CNC(=O)NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1)[NH+](C)C1CC1 ZINC000591554643 507289743 /nfs/dbraw/zinc/28/97/43/507289743.db2.gz CEWHMVDOZJBDNI-ZWKOTPCHSA-N 2 0 372.557 3.200 20 0 FGADRP CC(C)[C@@H](CNC(=O)NCCCC[N@@H+]1CCCC[C@H]1C)[NH+]1CCCC1 ZINC000591559493 507291274 /nfs/dbraw/zinc/29/12/74/507291274.db2.gz SFVADDXASBHTBI-RTBURBONSA-N 2 0 352.567 3.061 20 0 FGADRP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000591573620 507298195 /nfs/dbraw/zinc/29/81/95/507298195.db2.gz GCUCLVIFIAPHMY-IYWMVGAKSA-N 2 0 364.578 3.013 20 0 FGADRP C[C@H]([NH2+][C@H]1CC12CC[NH2+]CC2)c1ccc(F)c(I)c1 ZINC000591579950 507301298 /nfs/dbraw/zinc/30/12/98/507301298.db2.gz AXRDUHPZAWQCCI-HZMBPMFUSA-N 2 0 374.241 3.223 20 0 FGADRP COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]CC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000594925347 507318320 /nfs/dbraw/zinc/31/83/20/507318320.db2.gz RXVJUXYRJIKBPX-BMGDILEWSA-N 2 0 364.917 3.339 20 0 FGADRP COC[C@H](C)Oc1ccc(C[NH2+]CC2(SC)CC[NH+](C)CC2)cc1 ZINC000594944401 507324484 /nfs/dbraw/zinc/32/44/84/507324484.db2.gz PBWMPIXJVPRXAU-INIZCTEOSA-N 2 0 352.544 3.017 20 0 FGADRP CCCC[NH+]1CCC(NC(=O)NCC(C)(C)[N@@H+]2CCC[C@@H](CC)C2)CC1 ZINC000601297720 507326351 /nfs/dbraw/zinc/32/63/51/507326351.db2.gz UHARMNXCTRMXMT-GOSISDBHSA-N 2 0 366.594 3.451 20 0 FGADRP C[NH+]1CCC(C[NH2+][C@H]2CCc3ccc(I)cc32)CC1 ZINC000595011649 507353769 /nfs/dbraw/zinc/35/37/69/507353769.db2.gz KKVFGXRQZAUDTC-INIZCTEOSA-N 2 0 370.278 3.210 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)N2CC[C@@](C)(C[NH3+])C2)C1 ZINC000584458675 507357057 /nfs/dbraw/zinc/35/70/57/507357057.db2.gz AXDGTDXZYWGBDH-SVMVAKDDSA-N 2 0 372.557 3.045 20 0 FGADRP COc1ccc([C@H](C[NH+]2CCCC2)NC(=O)CC2(C[NH3+])CCCCC2)cc1 ZINC000584470724 507362723 /nfs/dbraw/zinc/36/27/23/507362723.db2.gz GVUZZMVUVPZIMZ-FQEVSTJZSA-N 2 0 373.541 3.248 20 0 FGADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)N[C@H](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000606688839 507480723 /nfs/dbraw/zinc/48/07/23/507480723.db2.gz HIKAVAQUMFMCNP-IAGOWNOFSA-N 2 0 360.546 3.145 20 0 FGADRP COc1cc(C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)cc(OC)c1O ZINC000614388531 507491960 /nfs/dbraw/zinc/49/19/60/507491960.db2.gz JZKVVEQZSRJETB-UHFFFAOYSA-N 2 0 362.514 3.497 20 0 FGADRP COC(=O)c1ccc(C[NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)n1C ZINC000601995521 507544306 /nfs/dbraw/zinc/54/43/06/507544306.db2.gz DBHFWVIYOFYWGW-UHFFFAOYSA-N 2 0 355.482 3.087 20 0 FGADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000607280659 507678181 /nfs/dbraw/zinc/67/81/81/507678181.db2.gz HNSPSHNYQXWURM-KDURUIRLSA-N 2 0 357.542 3.408 20 0 FGADRP CC(C)[NH+]1CCN([C@H]2CC[N@H+](Cc3ccc(CC(F)(F)F)cc3)C2)CC1 ZINC000602485134 507721842 /nfs/dbraw/zinc/72/18/42/507721842.db2.gz QVPAILWSTUMEIU-IBGZPJMESA-N 2 0 369.475 3.392 20 0 FGADRP CCOC(=O)CC1([NH2+]Cc2cccc(C[NH+]3CCCCC3)c2)CCOCC1 ZINC000595878240 507723435 /nfs/dbraw/zinc/72/34/35/507723435.db2.gz UUNOCUUPXAYLJU-UHFFFAOYSA-N 2 0 374.525 3.265 20 0 FGADRP Cc1cnc(NC2CC[NH+](C(C)C)CC2)nc1NC1CC[NH+](C(C)C)CC1 ZINC000531014425 518101438 /nfs/dbraw/zinc/10/14/38/518101438.db2.gz WBKQZBPNVJUERR-UHFFFAOYSA-N 2 0 374.577 3.354 20 0 FGADRP c1cc2c(ccnc2NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)s1 ZINC000623119661 521775879 /nfs/dbraw/zinc/77/58/79/521775879.db2.gz JUOMNDGLLWTYTO-UHFFFAOYSA-N 2 0 353.495 3.316 20 0 FGADRP CC[C@@H]1CN(C(=O)NCc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)CC[C@@H]1[NH3+] ZINC000669117728 568032001 /nfs/dbraw/zinc/03/20/01/568032001.db2.gz AEYIMSTZVIGQTE-UIFIKXQLSA-N 2 0 372.557 3.330 20 0 FGADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N2CCC(C)([NH+]3CCCC3)CC2)C1 ZINC000636954822 568225702 /nfs/dbraw/zinc/22/57/02/568225702.db2.gz VIGQMNOCUWGBLJ-LJQANCHMSA-N 2 0 364.578 3.014 20 0 FGADRP CCC1([NH+](C)C)CCN(C(=O)N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)CC1 ZINC000637033781 568314253 /nfs/dbraw/zinc/31/42/53/568314253.db2.gz LYYWVVMTZRAWLX-ZWKOTPCHSA-N 2 0 364.578 3.155 20 0 FGADRP C[C@@H]([NH2+]Cc1cccc(C[NH+]2CCCC2)c1)c1ccc(-c2nn[nH]n2)cc1 ZINC000820431165 599366818 /nfs/dbraw/zinc/36/68/18/599366818.db2.gz BKRUVUKSQROYML-MRXNPFEDSA-N 2 0 362.481 3.313 20 0 FGADRP C[NH+](C)CC[C@H]([NH2+][C@H]1CCCc2cc(-c3nn[nH]n3)ccc21)C(C)(C)C ZINC000825859523 608512266 /nfs/dbraw/zinc/51/22/66/608512266.db2.gz GKDUAPISCVEZRD-ROUUACIJSA-N 2 0 356.518 3.200 20 0 FGADRP C[C@H]([NH2+]CCCCC[NH+]1CCCCC1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824584656 609142673 /nfs/dbraw/zinc/14/26/73/609142673.db2.gz DECQOQLMZVABFG-HNNXBMFYSA-N 2 0 360.481 3.313 20 0 FGADRP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@H](C)C1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824945298 609326346 /nfs/dbraw/zinc/32/63/46/609326346.db2.gz BBNMFNBETTVZDR-GJZGRUSLSA-N 2 0 360.481 3.169 20 0 FGADRP C[C@H](NC(=O)NC1CCC([NH+]2CCCCC2)CC1)C(C)(C)C[NH+](C)C ZINC000085418123 700367147 /nfs/dbraw/zinc/36/71/47/700367147.db2.gz NJFFYCQERBYOHS-AOCRQIFASA-N 2 0 352.567 3.059 20 0 FGADRP COc1cc(C[NH2+][C@H](C)C2CC[NH+](C)CC2)cc(Br)c1OC ZINC000089541654 700391649 /nfs/dbraw/zinc/39/16/49/700391649.db2.gz HPLCEZPAICKSLG-GFCCVEGCSA-N 2 0 371.319 3.286 20 0 FGADRP C[C@H](CC(=O)Nc1cccnc1Cl)[NH2+][C@H](CC[NH+](C)C)C(C)(C)C ZINC000125858638 700740628 /nfs/dbraw/zinc/74/06/28/700740628.db2.gz JINKHVLOVXMBPU-UKRRQHHQSA-N 2 0 354.926 3.408 20 0 FGADRP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1ccc(SC(F)F)cc1 ZINC000128192047 700772069 /nfs/dbraw/zinc/77/20/69/700772069.db2.gz SBRBOWCGLSKDOW-ZFWWWQNUSA-N 2 0 371.497 3.239 20 0 FGADRP [NH3+]CCCCCC(=O)N[C@@H]1CCCN(Cc2ccc(F)cc2Cl)C1 ZINC000155696259 705088095 /nfs/dbraw/zinc/08/80/95/705088095.db2.gz LPZIDCSVLOEYIA-MRXNPFEDSA-N 2 0 355.885 3.079 20 0 FGADRP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H](C)c3ccnc(Cl)c3)cn2)CC1 ZINC000159511248 705226181 /nfs/dbraw/zinc/22/61/81/705226181.db2.gz ZVEOBJLWBBPIRW-HNNXBMFYSA-N 2 0 359.905 3.123 20 0 FGADRP C[NH+](C)CCOc1cc(C[NH2+][C@@H]2CCSc3c(F)cccc32)ccn1 ZINC000179509427 705703921 /nfs/dbraw/zinc/70/39/21/705703921.db2.gz FSLIWOBDQNVHPQ-QGZVFWFLSA-N 2 0 361.486 3.488 20 0 FGADRP COc1ccc([C@H](C)[NH2+][C@H](CCO)CSC)cc1C[NH+]1CCCCC1 ZINC000183011452 705874121 /nfs/dbraw/zinc/87/41/21/705874121.db2.gz HZCLOPQGKVIZDS-QFBILLFUSA-N 2 0 366.571 3.446 20 0 FGADRP COc1ccc(C[NH2+]CCCC[NH+]2C[C@@H](C)O[C@H](C)C2)c(Cl)c1OC ZINC000237346119 713590633 /nfs/dbraw/zinc/59/06/33/713590633.db2.gz JOYSGBFZEZECNT-HUUCEWRRSA-N 2 0 370.921 3.336 20 0 FGADRP CC(C)(C)[S@](=O)CC[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000248399526 713648908 /nfs/dbraw/zinc/64/89/08/713648908.db2.gz JZVYTMNWGDVJLK-TXNPELCJSA-N 2 0 362.583 3.424 20 0 FGADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@]2(C)CCN(C(=O)OC(C)(C)C)C2)[C@@H](C)C1 ZINC000248666250 713656079 /nfs/dbraw/zinc/65/60/79/713656079.db2.gz NMTRZMZFERQSSN-ZWOKBUDYSA-N 2 0 353.551 3.296 20 0 FGADRP CC[NH+]1CCN(CCCC[NH2+]Cc2cscc2Br)CC1 ZINC000285572502 713764450 /nfs/dbraw/zinc/76/44/50/713764450.db2.gz WGJNSNLXSQBEAG-UHFFFAOYSA-N 2 0 360.365 3.018 20 0 FGADRP C[C@H]1CSC[C@H]1[NH2+]Cc1cccc(OCC[N@H+](C)C2CCOCC2)c1 ZINC000294716675 713775397 /nfs/dbraw/zinc/77/53/97/713775397.db2.gz BRNPTRCDXHOOSF-OXJNMPFZSA-N 2 0 364.555 3.017 20 0 FGADRP C[NH+](C)CCC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000305146160 713792411 /nfs/dbraw/zinc/79/24/11/713792411.db2.gz FPOBDRZTJYTXLW-KURKYZTESA-N 2 0 353.551 3.486 20 0 FGADRP C[C@H]([NH2+]CCC[NH+]1CCCCC1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000310475001 713798796 /nfs/dbraw/zinc/79/87/96/713798796.db2.gz CRXNNGHEXQBUJL-ROUUACIJSA-N 2 0 353.551 3.488 20 0 FGADRP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N(C)CCCC[NH+]2CCCCC2)C1 ZINC000641784152 717929755 /nfs/dbraw/zinc/92/97/55/717929755.db2.gz RFAAWJFRSYUYRM-IBGZPJMESA-N 2 0 352.567 3.014 20 0 FGADRP CC(C)[N@@H+]1CCc2nc(CNC3CC(C)(C)[NH2+]C(C)(C)C3)sc2C1 ZINC000374597336 713933395 /nfs/dbraw/zinc/93/33/95/713933395.db2.gz SMDMSFODZGPMTD-UHFFFAOYSA-N 2 0 350.576 3.308 20 0 FGADRP CCOc1cc(C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)cc(Br)c1OC ZINC000414928556 714005769 /nfs/dbraw/zinc/00/57/69/714005769.db2.gz QFZOUBHHKGCUEG-CHWSQXEVSA-N 2 0 357.292 3.216 20 0 FGADRP [NH3+][C@H]1CCC[C@@H]([NH2+]Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)C1 ZINC000414935466 714005806 /nfs/dbraw/zinc/00/58/06/714005806.db2.gz YOLXWVBJUTVXFO-DLBZAZTESA-N 2 0 352.404 3.310 20 0 FGADRP C[C@H]([NH2+][C@H]1CCC[C@@H]([NH3+])C1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000423363788 714013944 /nfs/dbraw/zinc/01/39/44/714013944.db2.gz AKVWDXOGNQOBIP-UAGQMJEPSA-N 2 0 350.528 3.323 20 0 FGADRP O=C(CC[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2)Nc1cc(Cl)ccc1Cl ZINC000521624611 714140840 /nfs/dbraw/zinc/14/08/40/714140840.db2.gz RJPWRRIVHNBPAN-QGZVFWFLSA-N 2 0 356.297 3.398 20 0 FGADRP CC[NH+]1CCC(C[NH2+]Cc2cn(-c3ccc(Cl)cc3Cl)nn2)CC1 ZINC000579984171 714502758 /nfs/dbraw/zinc/50/27/58/714502758.db2.gz OYXVYWOJLIWRIU-UHFFFAOYSA-N 2 0 368.312 3.396 20 0 FGADRP CC[NH+](CC)CCNC(=O)NC[C@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000642615651 717983659 /nfs/dbraw/zinc/98/36/59/717983659.db2.gz RXHCLZMNYSYSTC-QGZVFWFLSA-N 2 0 366.575 3.162 20 0 FGADRP C[NH+](C)CCCC[NH2+]Cc1c[nH]nc1-c1ccc(Br)s1 ZINC000623383232 715323416 /nfs/dbraw/zinc/32/34/16/715323416.db2.gz JYYOZYVNQKQICF-UHFFFAOYSA-N 2 0 357.321 3.332 20 0 FGADRP COCCOc1ccc([C@H](C)[NH2+]C[C@@H]2CCCC[N@H+](C)C2)cc1OC ZINC000624121253 715477143 /nfs/dbraw/zinc/47/71/43/715477143.db2.gz RFQQIFRFBBKHSC-IRXDYDNUSA-N 2 0 350.503 3.103 20 0 FGADRP CN1CCO[C@H]([C@H](NC[C@H]2CCCC[N@H+](C)C2)c2ccc(Cl)cc2)C1 ZINC000624122583 715477180 /nfs/dbraw/zinc/47/71/80/715477180.db2.gz WDOOKMVCKQVTEJ-LSTHTHJFSA-N 2 0 365.949 3.033 20 0 FGADRP C[NH+](C)C[C@H](NC(=O)NC(C)(C)CC[NH3+])c1ccc(Cl)c(Cl)c1 ZINC000627220102 716009109 /nfs/dbraw/zinc/00/91/09/716009109.db2.gz LUKXBMZOZWLGMI-AWEZNQCLSA-N 2 0 361.317 3.023 20 0 FGADRP C[C@H]1CC[N@H+](CC(=O)N[C@H](C[NH+](C)C)c2ccc(Cl)c(Cl)c2)C1 ZINC000628969534 716194029 /nfs/dbraw/zinc/19/40/29/716194029.db2.gz ULAFLODURHVKCH-BLLLJJGKSA-N 2 0 358.313 3.054 20 0 FGADRP C[NH+](C)CCCCC(=O)N[C@@H](C[NH+](C)C)c1cccc(C(F)(F)F)c1 ZINC000633766058 716990333 /nfs/dbraw/zinc/99/03/33/716990333.db2.gz LIJYYOAMKUSELI-INIZCTEOSA-N 2 0 359.436 3.156 20 0 FGADRP COc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000634734098 717111769 /nfs/dbraw/zinc/11/17/69/717111769.db2.gz WPXVYHHWCHGAMC-UKRRQHHQSA-N 2 0 367.921 3.434 20 0 FGADRP C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@H]1CC[C@H](C[NH3+])CC1 ZINC000635003645 717139018 /nfs/dbraw/zinc/13/90/18/717139018.db2.gz AOTDQMOWIFYWDO-UMVBOHGHSA-N 2 0 368.319 3.273 20 0 FGADRP Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@@H]2[NH2+][C@H]2CC[C@H](C[NH3+])CC2)cc1 ZINC000635006501 717139361 /nfs/dbraw/zinc/13/93/61/717139361.db2.gz RPBYUGATAKHZLA-QGZVKYPTSA-N 2 0 364.555 3.187 20 0 FGADRP C[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)c1ccc(S(C)(=O)=O)cc1 ZINC000635013618 717139531 /nfs/dbraw/zinc/13/95/31/717139531.db2.gz UHRINBAIDYHICD-HUYLIWGRSA-N 2 0 364.555 3.094 20 0 FGADRP COCCOc1ccc([C@@H](C)[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)cc1OC ZINC000635007272 717139630 /nfs/dbraw/zinc/13/96/30/717139630.db2.gz APGLYGXMKJQFBV-NVXWUHKLSA-N 2 0 350.503 3.149 20 0 FGADRP Cc1ccc(S(=O)(=O)[C@H]2CCCC[C@H]2[NH2+][C@H]2CC[C@H](C[NH3+])CC2)cc1 ZINC000635006497 717139684 /nfs/dbraw/zinc/13/96/84/717139684.db2.gz RPBYUGATAKHZLA-LFGUQSLTSA-N 2 0 364.555 3.187 20 0 FGADRP CC(C)(O)C[NH+]1CCC([NH2+][C@@H]2CCc3cc(Br)ccc32)CC1 ZINC000638426519 717447017 /nfs/dbraw/zinc/44/70/17/717447017.db2.gz UIZWVYJPGRCPAO-QGZVFWFLSA-N 2 0 367.331 3.261 20 0 FGADRP CC(C)(C)O[C@@H]1C[C@@H]([NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)C12CCC2 ZINC000638669903 717474129 /nfs/dbraw/zinc/47/41/29/717474129.db2.gz XOZUBTFDPFVECA-BHIYHBOVSA-N 2 0 350.547 3.203 20 0 FGADRP C[C@H]1CCC[N@H+](CCCC[NH2+]C[C@@H](O)COc2ccccc2Cl)C1 ZINC000644521958 718117784 /nfs/dbraw/zinc/11/77/84/718117784.db2.gz JTBOLNFMQLRTTI-DLBZAZTESA-N 2 0 354.922 3.181 20 0 FGADRP CCC[N@@H+]1CC[C@@H](C[NH2+]C[C@@H](O)COc2ccc(Cl)c(Cl)c2)C1 ZINC000644530074 718119486 /nfs/dbraw/zinc/11/94/86/718119486.db2.gz LTZJXHYBJJHJOI-UONOGXRCSA-N 2 0 361.313 3.055 20 0 FGADRP CCC[N@@H+]1CC[C@H](C[NH2+]C[C@@H](O)COc2ccc(Cl)c(Cl)c2)C1 ZINC000644530076 718119893 /nfs/dbraw/zinc/11/98/93/718119893.db2.gz LTZJXHYBJJHJOI-ZIAGYGMSSA-N 2 0 361.313 3.055 20 0 FGADRP C[C@@H]([NH2+]C[C@@H](O)CO[C@@H](C)c1ccc(Cl)cc1)C1CC[NH+](C)CC1 ZINC000644562902 718124492 /nfs/dbraw/zinc/12/44/92/718124492.db2.gz GSDUWFWJFIRUPP-ZRGWGRIASA-N 2 0 354.922 3.098 20 0 FGADRP C[C@H]([NH2+]CCC(=O)Nc1cccc(Br)c1)C1CC[NH+](C)CC1 ZINC000644563229 718125311 /nfs/dbraw/zinc/12/53/11/718125311.db2.gz VSZMDRAQSDBKJI-ZDUSSCGKSA-N 2 0 368.319 3.098 20 0 FGADRP C[N@H+](CCCC[NH2+]CCC(=O)Nc1ccc(Br)cc1)C1CC1 ZINC000644665533 718139546 /nfs/dbraw/zinc/13/95/46/718139546.db2.gz FAYLICVYWAEDPQ-UHFFFAOYSA-N 2 0 368.319 3.242 20 0 FGADRP CCCN(C(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)C)[C@H]1CC[N@H+](C)C1 ZINC000645339368 718203703 /nfs/dbraw/zinc/20/37/03/718203703.db2.gz PXBTYXYDUACRNY-ZWKOTPCHSA-N 2 0 366.937 3.068 20 0 FGADRP C[NH+](C)CCOc1ccc(C[NH2+]C[C@@H]2CSc3ccccc3O2)cc1 ZINC000647222835 718340968 /nfs/dbraw/zinc/34/09/68/718340968.db2.gz RGYRSUWJJUIXJY-GOSISDBHSA-N 2 0 358.507 3.270 20 0 FGADRP C[C@H](Cc1ccc(F)c(Br)c1)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000647549821 718367184 /nfs/dbraw/zinc/36/71/84/718367184.db2.gz SLQOXVHKEXFIGO-REBRKWNGSA-N 2 0 355.295 3.497 20 0 FGADRP Fc1cc(Br)ccc1CCC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000647785622 718377674 /nfs/dbraw/zinc/37/76/74/718377674.db2.gz CIYJNIZYYRJYJW-OFQRWUPVSA-N 2 0 355.295 3.499 20 0 FGADRP CN1CC[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000647793842 718377898 /nfs/dbraw/zinc/37/78/98/718377898.db2.gz JPTSKNCSYUPOOC-WCVDCBDPSA-N 2 0 351.897 3.202 20 0 FGADRP CN1CC[C@H](C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000647793621 718377986 /nfs/dbraw/zinc/37/79/86/718377986.db2.gz CCLRBEAAAHAUGZ-FLXNRXMOSA-N 2 0 365.924 3.450 20 0 FGADRP COc1ccc(Br)cc1C1([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000647801520 718378502 /nfs/dbraw/zinc/37/85/02/718378502.db2.gz WZHNRJISQJMXNW-VNHYZAJKSA-N 2 0 365.315 3.425 20 0 FGADRP Brc1cccc2[nH]cc(CC[NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@@H]4C3)c21 ZINC000647798861 718378531 /nfs/dbraw/zinc/37/85/31/718378531.db2.gz YLFROMBPTAXLTO-AEGPPILISA-N 2 0 362.315 3.451 20 0 FGADRP CC1([NH3+])CC[NH+](CCC(=O)N[C@H](c2cccs2)c2ccccc2)CC1 ZINC000647925613 718387833 /nfs/dbraw/zinc/38/78/33/718387833.db2.gz QAJGBOOHSQROBX-IBGZPJMESA-N 2 0 357.523 3.157 20 0 FGADRP O=C(C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1)Nc1ccc(F)c(Cl)c1 ZINC000647975402 718390853 /nfs/dbraw/zinc/39/08/53/718390853.db2.gz ZVQDNPSEZJQEIL-ZIAGYGMSSA-N 2 0 353.869 3.129 20 0 FGADRP C[NH+](C)CCOc1ccc(C[NH2+]Cc2ccnc(C(F)(F)F)c2)cc1 ZINC000648705188 718445385 /nfs/dbraw/zinc/44/53/85/718445385.db2.gz DPTCCMYZMZSECA-UHFFFAOYSA-N 2 0 353.388 3.331 20 0 FGADRP CCC[N@H+](C)[C@H](CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)c1ccc(Cl)cc1 ZINC000648899646 718458080 /nfs/dbraw/zinc/45/80/80/718458080.db2.gz UNUQRNVYBYCHCU-ZTFGCOKTSA-N 2 0 351.922 3.179 20 0 FGADRP C[NH+](C)CCCOc1ccc(NC(=O)[C@@H]([NH3+])c2cccc(Cl)c2)cc1 ZINC000649329022 718504523 /nfs/dbraw/zinc/50/45/23/718504523.db2.gz XMEYSWRQQUAOTO-SFHVURJKSA-N 2 0 361.873 3.309 20 0 FGADRP C[NH+]1CCC(NC(=O)Nc2ccc(SCC[NH+]3CCCC3)cc2)CC1 ZINC000650418022 718675613 /nfs/dbraw/zinc/67/56/13/718675613.db2.gz NRJDBOJDBOKSKT-UHFFFAOYSA-N 2 0 362.543 3.090 20 0 FGADRP COc1cc(C[N@@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)cc(Cl)c1OC ZINC000650722589 718720613 /nfs/dbraw/zinc/72/06/13/718720613.db2.gz XMARWODZYYCWNU-DJIMGWMZSA-N 2 0 368.905 3.218 20 0 FGADRP C[C@H]1CN(C(=O)Nc2ccc(SCC[NH+]3CCCC3)cc2)[C@@H](C)C[NH2+]1 ZINC000652613505 718966429 /nfs/dbraw/zinc/96/64/29/718966429.db2.gz VLWBXAHKZVXPPE-HOTGVXAUSA-N 2 0 362.543 3.089 20 0 FGADRP C[C@@H]1CN(C(=O)Nc2ccc(SCC[NH+]3CCCC3)cc2)[C@@H](C)C[NH2+]1 ZINC000652613504 718966531 /nfs/dbraw/zinc/96/65/31/718966531.db2.gz VLWBXAHKZVXPPE-CVEARBPZSA-N 2 0 362.543 3.089 20 0 FGADRP C[N@H+](Cc1ccc(N2CC[C@@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)nc1)C1CC1 ZINC001164619196 719048522 /nfs/dbraw/zinc/04/85/22/719048522.db2.gz BZSKMEWJJNDLGQ-FYYLOGMGSA-N 2 0 362.521 3.259 20 0 FGADRP O[C@H]1CC[N@H+](Cc2ccccc2C[NH2+]Cc2cc3ccncc3s2)C1 ZINC000657432730 719649110 /nfs/dbraw/zinc/64/91/10/719649110.db2.gz QENRHYRCLDHTSK-SFHVURJKSA-N 2 0 353.491 3.153 20 0 FGADRP Fc1ccc2nc(C[NH2+]CC3CC[NH+](C4CCOCC4)CC3)sc2c1 ZINC000657537323 719668139 /nfs/dbraw/zinc/66/81/39/719668139.db2.gz HQDGOVMKVFNUEN-UHFFFAOYSA-N 2 0 363.502 3.416 20 0 FGADRP O[C@H]1CC[N@H+](Cc2ccc(C[NH2+]Cc3cnc(C4CCC4)s3)cc2)C1 ZINC000657597698 719681271 /nfs/dbraw/zinc/68/12/71/719681271.db2.gz WSTXROMTSQREGK-SFHVURJKSA-N 2 0 357.523 3.267 20 0 FGADRP CC(C)CO[C@H]1C[C@H]([NH2+]CC2CC[NH+](C3CCOCC3)CC2)C1(C)C ZINC000658066766 719750649 /nfs/dbraw/zinc/75/06/49/719750649.db2.gz DYBBNDJSONQGRK-PMACEKPBSA-N 2 0 352.563 3.307 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H](N[C@@H]2CC[NH+](C3CCCCC3)C2)[C@@H](C)C1 ZINC000658230274 719771742 /nfs/dbraw/zinc/77/17/42/719771742.db2.gz XKHLGPVAFVYZJU-ZVDOUQERSA-N 2 0 351.579 3.120 20 0 FGADRP [NH3+]C1(CNC(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)CCCC1 ZINC000659426709 719912745 /nfs/dbraw/zinc/91/27/45/719912745.db2.gz BAAVRBMMQXXTNA-KRWDZBQOSA-N 2 0 364.921 3.048 20 0 FGADRP CC[NH+](CC)CCCN(Cc1ccc(Cl)cc1)C(=O)N[C@H](C)[C@H](C)[NH3+] ZINC000659549381 719924916 /nfs/dbraw/zinc/92/49/16/719924916.db2.gz MRFSIPHXSUOUJC-JKSUJKDBSA-N 2 0 368.953 3.319 20 0 FGADRP OC1(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)CCSCC1 ZINC000660010309 719971630 /nfs/dbraw/zinc/97/16/30/719971630.db2.gz IFXCDFGOKVMWAI-UXHICEINSA-N 2 0 360.567 3.231 20 0 FGADRP COc1ccc(Cl)cc1C[C@@H]1CCC[N@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662258319 720406038 /nfs/dbraw/zinc/40/60/38/720406038.db2.gz ZKCKSCSGPDMKMN-YJBOKZPZSA-N 2 0 364.917 3.124 20 0 FGADRP COc1cccc(SCC[NH+]2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)c1 ZINC000662281837 720409442 /nfs/dbraw/zinc/40/94/42/720409442.db2.gz PXISGUNPCOWTBM-APWZRJJASA-N 2 0 350.528 3.006 20 0 FGADRP CSc1ccc(NC(=O)[C@@H](C)[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC000662290168 720410003 /nfs/dbraw/zinc/41/00/03/720410003.db2.gz AGEAVIBENQJKJA-NVXWUHKLSA-N 2 0 361.555 3.447 20 0 FGADRP C[C@H](C(=O)NCc1ccc(Cl)cc1)[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662298740 720412095 /nfs/dbraw/zinc/41/20/95/720412095.db2.gz XKHGDKVWCZJHSN-CRAIPNDOSA-N 2 0 363.933 3.056 20 0 FGADRP CC[NH+](CC)CCCC1CC[NH+](C[C@H]2CC(C(=O)OC)=C(C)O2)CC1 ZINC000782536595 724680301 /nfs/dbraw/zinc/68/03/01/724680301.db2.gz PSUQMNAFHRCWTM-GOSISDBHSA-N 2 0 352.519 3.056 20 0 FGADRP CCCOc1ccc(Br)cc1C[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000666950727 721004573 /nfs/dbraw/zinc/00/45/73/721004573.db2.gz CTLYPMWBXPXHMU-INIZCTEOSA-N 2 0 353.304 3.470 20 0 FGADRP CN(CCC[NH+](C)C)CCNC(=O)Nc1cc(Cl)c(Cl)cc1F ZINC000667008092 721012793 /nfs/dbraw/zinc/01/27/93/721012793.db2.gz LOMHOQBDESDZOY-UHFFFAOYSA-N 2 0 365.280 3.138 20 0 FGADRP CC[NH+](CC)CCO[C@H]1CCN(Cc2cncc(Br)c2C)C1 ZINC000667681617 721155991 /nfs/dbraw/zinc/15/59/91/721155991.db2.gz MYIRRJGJAQOWKA-INIZCTEOSA-N 2 0 370.335 3.085 20 0 FGADRP CC1CC[NH+]([C@H](CNC(=O)N2CCC(C)([NH3+])CC2)c2cccs2)CC1 ZINC000668644730 721325666 /nfs/dbraw/zinc/32/56/66/721325666.db2.gz POWSOVOPNBILIQ-MRXNPFEDSA-N 2 0 364.559 3.044 20 0 FGADRP CCC[N@H+](C)[C@@H](CNC(=O)[C@H]1CCCC[NH+]1C)c1ccc(Cl)cc1 ZINC000672053238 721620128 /nfs/dbraw/zinc/62/01/28/721620128.db2.gz YICHWCPHQRBGAI-MSOLQXFVSA-N 2 0 351.922 3.323 20 0 FGADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)NC[C@@H](c1ccsc1)[NH+](CC)CC ZINC000675178228 721735898 /nfs/dbraw/zinc/73/58/98/721735898.db2.gz VAKSPHHTOWTYQD-ROUUACIJSA-N 2 0 366.575 3.305 20 0 FGADRP FC(F)(F)c1ccc(OCC[NH+]2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000675499585 721758300 /nfs/dbraw/zinc/75/83/00/721758300.db2.gz MQZPIUNFDKRSHB-UHFFFAOYSA-N 2 0 351.372 3.301 20 0 FGADRP COc1cc(OC)c([C@H](C)[NH2+]CC(C)(C)N2CC[NH+](C)CC2)cc1Cl ZINC000675741279 721771595 /nfs/dbraw/zinc/77/15/95/721771595.db2.gz APJVQIPWLFEBOF-AWEZNQCLSA-N 2 0 369.937 3.034 20 0 FGADRP CCC[NH+]1CCC(NCc2c(Cl)cccc2N2CC[NH+](C)CC2)CC1 ZINC000675919784 721779377 /nfs/dbraw/zinc/77/93/77/721779377.db2.gz OFJQLZLARYXVGY-UHFFFAOYSA-N 2 0 364.965 3.056 20 0 FGADRP CC(C)[NH+]1CCN(C2CC[NH+](CCO[C@@H]3CCCC[C@H]3C)CC2)CC1 ZINC000677739147 721913493 /nfs/dbraw/zinc/91/34/93/721913493.db2.gz VEYPHVNRGZQMMV-TZIWHRDSSA-N 2 0 351.579 3.072 20 0 FGADRP C[N@@H+]1CCCC[C@H](C[NH2+][C@H]2CCCC[C@H]2CNC(=O)OC(C)(C)C)C1 ZINC000700802406 722409905 /nfs/dbraw/zinc/40/99/05/722409905.db2.gz IQTKMHWHKGWSQB-SQNIBIBYSA-N 2 0 353.551 3.391 20 0 FGADRP C[C@H](C[C@H]1CCCN1C(=O)OC(C)(C)C)[NH2+]C[C@@H]1CCCC[N@H+](C)C1 ZINC000700802279 722409911 /nfs/dbraw/zinc/40/99/11/722409911.db2.gz HJQNIIVBGHLZJY-FGTMMUONSA-N 2 0 353.551 3.486 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)/C=C/c1ccccc1Cl ZINC000750735444 722779439 /nfs/dbraw/zinc/77/94/39/722779439.db2.gz XJUPPCCVMMIEOJ-DXRVJIQQSA-N 2 0 363.933 3.228 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)/C=C\c1ccc(Cl)cc1 ZINC000750734479 722779491 /nfs/dbraw/zinc/77/94/91/722779491.db2.gz GQBWAQUJZBUKQB-ADYPVZHUSA-N 2 0 363.933 3.228 20 0 FGADRP C[C@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)c1cc(Cl)c(N)c(Cl)c1 ZINC000760161752 723040597 /nfs/dbraw/zinc/04/05/97/723040597.db2.gz ZXKSYLDIXKUYBA-ZDUSSCGKSA-N 2 0 373.372 3.500 20 0 FGADRP C[NH+](C)C1(C(=O)NC[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)CCC1 ZINC000763222553 723323902 /nfs/dbraw/zinc/32/39/02/723323902.db2.gz PUNCLDIGPLVPIF-WMLDXEAASA-N 2 0 367.896 3.072 20 0 FGADRP C[C@H](CSC(C)(C)C)[NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000765519892 723520464 /nfs/dbraw/zinc/52/04/64/723520464.db2.gz MSCJFDJDZSUOIE-QGZVFWFLSA-N 2 0 350.576 3.104 20 0 FGADRP CC(C)[N@@H+]1CC[C@H](C[NH2+]C2CCC(CNC(=O)OC(C)(C)C)CC2)C1 ZINC000796281175 723629948 /nfs/dbraw/zinc/62/99/48/723629948.db2.gz IKMKDVHSBFMHQC-LXPRWKDFSA-N 2 0 353.551 3.390 20 0 FGADRP O[C@H](C[NH2+][C@@H]1CCC[C@@H]1c1ccccc1C(F)(F)F)C[NH+]1CCCC1 ZINC000768094602 723646913 /nfs/dbraw/zinc/64/69/13/723646913.db2.gz ATBSMMMDUVCKOP-QGPMSJSTSA-N 2 0 356.432 3.388 20 0 FGADRP COc1c(C)cc([C@H](C)[NH2+]CC(C)(C)N2CC[NH+](C)CC2)cc1Cl ZINC000796682282 723650020 /nfs/dbraw/zinc/65/00/20/723650020.db2.gz JDFGSWAISATNJR-HNNXBMFYSA-N 2 0 353.938 3.334 20 0 FGADRP COc1c(C)cc([C@@H](C)[NH2+]C[C@H](C)CN2CC[NH+](C)CC2)cc1Cl ZINC000796750186 723653234 /nfs/dbraw/zinc/65/32/34/723653234.db2.gz SQHTVNYCQAXVCV-GOEBONIOSA-N 2 0 353.938 3.191 20 0 FGADRP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@H](NC(=O)OC(C)(C)C)C2)[C@H]2CCC[C@@H]21 ZINC000796959094 723661296 /nfs/dbraw/zinc/66/12/96/723661296.db2.gz LKEHEEBRYNTNRD-WKULXVSPSA-N 2 0 351.535 3.285 20 0 FGADRP C[NH+](C)CC(C)(C)CNC(=S)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000769550421 723689435 /nfs/dbraw/zinc/68/94/35/723689435.db2.gz BAZAFEQEAIWSCS-UHFFFAOYSA-N 2 0 362.587 3.199 20 0 FGADRP C[N@H+](CCC[NH+]1CCCC1)CCC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000798957334 723979941 /nfs/dbraw/zinc/97/99/41/723979941.db2.gz ADKLNVKHXLCUNI-UHFFFAOYSA-N 2 0 353.551 3.441 20 0 FGADRP C[C@H](C(=O)NCc1ccc(Cl)cc1)[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000799176902 723995320 /nfs/dbraw/zinc/99/53/20/723995320.db2.gz FJPPDFCUSABZON-MRXNPFEDSA-N 2 0 363.933 3.153 20 0 FGADRP CCCCO[C@H]1C[C@H]([NH2+]C2CCN(C3CC[NH+](C)CC3)CC2)C1(C)C ZINC000776160168 724114991 /nfs/dbraw/zinc/11/49/91/724114991.db2.gz MKCYJDYTMGVDKS-PMACEKPBSA-N 2 0 351.579 3.118 20 0 FGADRP C[C@@H]([NH2+]CC1CN(C(=O)OC(C)(C)C)C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000800373012 724188213 /nfs/dbraw/zinc/18/82/13/724188213.db2.gz GBYVRUFOZCJYFY-WBVHZDCISA-N 2 0 351.535 3.096 20 0 FGADRP CC[NH+](CC)CCC[C@H](C)[NH2+]C1CC2(C1)CN(C(=O)OC(C)(C)C)C2 ZINC000788500100 725068339 /nfs/dbraw/zinc/06/83/39/725068339.db2.gz YYTPSBAIJSYVRY-INIZCTEOSA-N 2 0 353.551 3.486 20 0 FGADRP C[C@H]1C[C@@H]([NH2+]C[C@H]2CC[C@H](CNC(=O)OC(C)(C)C)CC2)CC[N@@H+]1C ZINC000808726323 725214941 /nfs/dbraw/zinc/21/49/41/725214941.db2.gz YEENGUVCRISIQS-XSLAGTTESA-N 2 0 353.551 3.390 20 0 FGADRP C[NH+](C)C[C@H]1CC[N@H+](C[C@H]2CC[C@H](CNC(=O)OC(C)(C)C)CC2)C1 ZINC000809945942 725277416 /nfs/dbraw/zinc/27/74/16/725277416.db2.gz IFPQGIFPYAISIP-KZNAEPCWSA-N 2 0 353.551 3.201 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1)c1ccsc1 ZINC000810115596 725289700 /nfs/dbraw/zinc/28/97/00/725289700.db2.gz LCANAGMLYKYQDB-VQIMIIECSA-N 2 0 369.550 3.460 20 0 FGADRP CSC1(C[NH2+][C@@H]2CCC[C@@H]2CNC(=O)OC(C)(C)C)CC[NH+](C)CC1 ZINC000810253146 725300106 /nfs/dbraw/zinc/30/01/06/725300106.db2.gz MUBIYAGDDDTDOC-HZPDHXFCSA-N 2 0 371.591 3.097 20 0 FGADRP CC[NH+]1CCC(C[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)CC[C@@H]2C)CC1 ZINC000812718878 726806508 /nfs/dbraw/zinc/80/65/08/726806508.db2.gz PMAOLMVIKNYVQL-FUHWJXTLSA-N 2 0 353.551 3.344 20 0 FGADRP C[C@H]([NH2+]C1CCC([NH+]2CCN(C(=O)OC(C)(C)C)CC2)CC1)C1CC1 ZINC000812744164 726807358 /nfs/dbraw/zinc/80/73/58/726807358.db2.gz CNIKGZSDWUYGKV-ZLPCBKJTSA-N 2 0 351.535 3.238 20 0 FGADRP C[C@H](C[C@H](O)c1cccs1)[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000817912934 727287775 /nfs/dbraw/zinc/28/77/75/727287775.db2.gz LHTIZROLDXTGRJ-DFYYWFRZSA-N 2 0 358.507 3.406 20 0 FGADRP O[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1)c1cccc(Br)c1 ZINC000817929071 727288139 /nfs/dbraw/zinc/28/81/39/727288139.db2.gz IRYOYQPKXHZISM-XMTFNYHQSA-N 2 0 367.331 3.383 20 0 FGADRP CCOC(=O)C(F)(F)[C@H]1CCC[C@H]([NH2+]Cc2ccc3c(c2)C[NH2+]C3)C1 ZINC000817968175 727289725 /nfs/dbraw/zinc/28/97/25/727289725.db2.gz GYBILQLSDSSXQJ-IRXDYDNUSA-N 2 0 352.425 3.137 20 0 FGADRP CC(C)[NH+]1CCC([NH2+]C[C@@H](O)c2ccc(F)c(Br)c2)CC1 ZINC000818940697 727328574 /nfs/dbraw/zinc/32/85/74/727328574.db2.gz CBSRIPUMAYYIEK-MRXNPFEDSA-N 2 0 359.283 3.084 20 0 FGADRP C[C@](O)(C[NH2+]C1CCN(C2CC2)CC1)c1ccc(Br)cc1F ZINC000818945635 727328957 /nfs/dbraw/zinc/32/89/57/727328957.db2.gz MSZUZIYJTHANCY-KRWDZBQOSA-N 2 0 371.294 3.012 20 0 FGADRP O[C@H](C[NH2+]C1CC[NH+](CC2CCCCC2)CC1)COCc1cccs1 ZINC000818983476 727333890 /nfs/dbraw/zinc/33/38/90/727333890.db2.gz JMADGSGPXXSUSQ-LJQANCHMSA-N 2 0 366.571 3.260 20 0 FGADRP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]C[C@](C)(O)c2ccc(Br)cc2F)C1 ZINC000819134551 727351011 /nfs/dbraw/zinc/35/10/11/727351011.db2.gz IDOGWJOAVVJWIO-VBQJREDUSA-N 2 0 373.310 3.258 20 0 FGADRP C[C@H](CC[NH2+]C[C@@H](O)c1ccc(F)c(Br)c1)[NH+]1CCCCC1 ZINC000819231247 727360145 /nfs/dbraw/zinc/36/01/45/727360145.db2.gz RRCFKNJYVCZWIB-CXAGYDPISA-N 2 0 373.310 3.476 20 0 FGADRP C[C@@H]1C[N@H+](CCC[NH2+]C[C@H](O)c2ccc(Cl)cc2Cl)CCCO1 ZINC000819265035 727362666 /nfs/dbraw/zinc/36/26/66/727362666.db2.gz LAQSBVIBSAOCAJ-DYVFJYSZSA-N 2 0 361.313 3.117 20 0 FGADRP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCCCC[C@H]1C[C@H](O)c1cccs1 ZINC000821387740 729082223 /nfs/dbraw/zinc/08/22/23/729082223.db2.gz WTOOGTAYDRFMJY-BZSNNMDCSA-N 2 0 354.560 3.117 20 0 FGADRP CSC1(C[NH2+][C@@H]2CC[C@H](C)N(C(=O)OC(C)(C)C)C2)CC[NH+](C)CC1 ZINC000822482185 729180090 /nfs/dbraw/zinc/18/00/90/729180090.db2.gz ZDGYITXFPKRCMA-JKSUJKDBSA-N 2 0 371.591 3.191 20 0 FGADRP C[C@@H]1CN(Cc2cccc(CNCc3ccnc(Cl)c3F)c2)CCO1 ZINC000823709151 729300090 /nfs/dbraw/zinc/30/00/90/729300090.db2.gz LLVDXHPQZOMQLC-CQSZACIVSA-N 2 0 363.864 3.385 20 0 FGADRP C[NH+](C)CC[C@H]([NH2+]C[C@@]12C[C@@H]1CN(C(=O)OC(C)(C)C)C2)C(C)(C)C ZINC000823860540 729309704 /nfs/dbraw/zinc/30/97/04/729309704.db2.gz GSGAVTLWOWOECV-GQIGUUNPSA-N 2 0 353.551 3.199 20 0 FGADRP C[C@@H]1C[C@@H](C[NH2+]CC2(C)CC[NH+](C)CC2)CCN1C(=O)OC(C)(C)C ZINC000824131584 729320845 /nfs/dbraw/zinc/32/08/45/729320845.db2.gz WAKIZHAFROFRKU-SJORKVTESA-N 2 0 353.551 3.344 20 0 FGADRP C[C@@H]1CN(C2CC2)C[C@H]1[NH2+]CCC[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000824991833 729366905 /nfs/dbraw/zinc/36/69/05/729366905.db2.gz AHHZGJXRDZEQAG-BPQIPLTHSA-N 2 0 351.535 3.238 20 0 FGADRP Cc1cc([C@H]([NH3+])CC(=O)NC[C@@]2([NH+](C)C)CCC[C@H](C)C2)cc(Cl)n1 ZINC000827528808 729431314 /nfs/dbraw/zinc/43/13/14/729431314.db2.gz ALCOGCOWHNEUNA-URKNILKWSA-N 2 0 366.937 3.060 20 0 FGADRP C[NH+](C)CCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)C[C@H]([NH3+])C1CC1 ZINC000827666503 729433112 /nfs/dbraw/zinc/43/31/12/729433112.db2.gz QRFJODADJPHBAH-KRWDZBQOSA-N 2 0 372.340 3.401 20 0 FGADRP COc1ccc(OCc2nc(C[N@H+](C)C3CCC([NH3+])CC3)cs2)cc1 ZINC000843055124 730574727 /nfs/dbraw/zinc/57/47/27/730574727.db2.gz RWIZTSSUARADCN-UHFFFAOYSA-N 2 0 361.511 3.432 20 0 FGADRP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCC(CCNC(=O)OC(C)(C)C)CC1 ZINC000844443554 730720054 /nfs/dbraw/zinc/72/00/54/730720054.db2.gz ZEJNREXOROEWOC-SFHVURJKSA-N 2 0 353.551 3.488 20 0 FGADRP CSC1(C[NH2+][C@H]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)CC[NH+](C)CC1 ZINC000848551147 731180098 /nfs/dbraw/zinc/18/00/98/731180098.db2.gz FCKDCKAEYOQQQV-JKSUJKDBSA-N 2 0 371.591 3.239 20 0 FGADRP [NH2+]=C(NCCSCC(F)(F)F)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000849057236 731224985 /nfs/dbraw/zinc/22/49/85/731224985.db2.gz IJFCXJUCQMXZLD-UHFFFAOYSA-N 2 0 374.476 3.060 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCCOc1ccc(Cl)cc1C ZINC000849065906 731225328 /nfs/dbraw/zinc/22/53/28/731225328.db2.gz HTHDRFBCXOXEPP-MRXNPFEDSA-N 2 0 352.910 3.016 20 0 FGADRP CCOC(=O)NC1CCC([NH2+]CC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000850427171 731356005 /nfs/dbraw/zinc/35/60/05/731356005.db2.gz OLNJSTIHZRYDBC-MRLCAUJQSA-N 2 0 353.551 3.390 20 0 FGADRP C[C@H](C[C@H](C)NC(=O)OC(C)(C)C)[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000850580822 731375860 /nfs/dbraw/zinc/37/58/60/731375860.db2.gz BKOMPKNAHVBSSM-CVEARBPZSA-N 2 0 353.551 3.390 20 0 FGADRP O[C@@H](C[NH2+]CC1CC[NH+](CC2CC2)CC1)c1cccc(Br)c1 ZINC000853134732 731669793 /nfs/dbraw/zinc/66/97/93/731669793.db2.gz MMBHDJOPMZQISY-SFHVURJKSA-N 2 0 367.331 3.194 20 0 FGADRP CC(C)[N@H+](C)Cc1cc(O[C@H]2CC[NH+](CCc3cscn3)C2)ccn1 ZINC000856604278 732040825 /nfs/dbraw/zinc/04/08/25/732040825.db2.gz LPJQHCOQBGRIST-IBGZPJMESA-N 2 0 360.527 3.074 20 0 FGADRP C[C@@H]1C[N@@H+]([C@H]2CC[NH+](C)C(C)(C)C2)C[C@@]1(C)CNC(=O)OC(C)(C)C ZINC000858165438 732188460 /nfs/dbraw/zinc/18/84/60/732188460.db2.gz SZCBIXHSKPSQGG-GQIGUUNPSA-N 2 0 353.551 3.342 20 0 FGADRP Clc1nc2ccccc2cc1C[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000863576915 732978826 /nfs/dbraw/zinc/97/88/26/732978826.db2.gz YNLIFIWYBPGJOV-GOSISDBHSA-N 2 0 359.901 3.479 20 0 FGADRP CC(C)(C)OC(=O)N[C@H](C[NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1)CC(F)F ZINC000865403905 733192497 /nfs/dbraw/zinc/19/24/97/733192497.db2.gz UZPIIIJYVOPQMP-LBPRGKRZSA-N 2 0 363.493 3.434 20 0 FGADRP CC(C)(C)OC(=O)N[C@H](C[NH2+]C[C@H]1CCN1C1CCCC1)CC(F)F ZINC000865643787 733244373 /nfs/dbraw/zinc/24/43/73/733244373.db2.gz RTBRSUULLSMDIM-DZGCQCFKSA-N 2 0 361.477 3.141 20 0 FGADRP CC(C)[NH+]1CCC(CC[NH2+][C@H]2CCS(=O)(=O)c3ccc(F)cc32)CC1 ZINC000866467563 733353356 /nfs/dbraw/zinc/35/33/56/733353356.db2.gz KICFRBZSGGSKLD-SFHVURJKSA-N 2 0 368.518 3.144 20 0 FGADRP Cc1cc(C[NH+](C)C)cc(NC(=O)c2csc(C3CC[NH2+]CC3)n2)c1 ZINC000870909533 733901166 /nfs/dbraw/zinc/90/11/66/733901166.db2.gz FSBQWWPFMDGPLJ-UHFFFAOYSA-N 2 0 358.511 3.232 20 0 FGADRP CC(C)(C)c1ccc(C[NH2+]Cc2cccc(-n3cc(C[NH3+])nn3)c2)s1 ZINC000873218827 735739068 /nfs/dbraw/zinc/73/90/68/735739068.db2.gz SEUXEWWIWZSECZ-UHFFFAOYSA-N 2 0 355.511 3.375 20 0 FGADRP C[N@@H+]1CC[C@H]2CN(CCC(=O)Nc3c(Cl)cccc3Cl)CC[C@@H]21 ZINC000879576874 737010166 /nfs/dbraw/zinc/01/01/66/737010166.db2.gz YOGXTOUKQFDDFE-WFASDCNBSA-N 2 0 356.297 3.348 20 0 FGADRP CC(C)C[N@@H+](Cc1csc(-c2ccn(C)n2)n1)CC1CC[NH+](C)CC1 ZINC000879704241 737035193 /nfs/dbraw/zinc/03/51/93/737035193.db2.gz BPVQZAOGZHLNBP-UHFFFAOYSA-N 2 0 361.559 3.343 20 0 FGADRP CC1CC[NH+](C2CCC([NH2+]Cc3c4c(nn3C)CCSC4)CC2)CC1 ZINC000883074898 737518475 /nfs/dbraw/zinc/51/84/75/737518475.db2.gz MECRDYQESUFDQO-UHFFFAOYSA-N 2 0 362.587 3.342 20 0 FGADRP CC[NH+](CC)CCC[C@H](C)NC(=O)[C@@H]([NH3+])c1ccc(Br)cc1 ZINC000884176282 737640890 /nfs/dbraw/zinc/64/08/90/737640890.db2.gz BHEXDYPAHWSVED-BBRMVZONSA-N 2 0 370.335 3.076 20 0 FGADRP CN(CCCCCC[NH3+])C(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000891459572 739904736 /nfs/dbraw/zinc/90/47/36/739904736.db2.gz BLQFSSRCUPRLKY-QGZVFWFLSA-N 2 0 366.575 3.121 20 0 FGADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)C[C@H]1C(F)(F)F ZINC000892606872 740022152 /nfs/dbraw/zinc/02/21/52/740022152.db2.gz FTWJKJWMZKLGKC-ZVDSWSACSA-N 2 0 362.436 3.113 20 0 FGADRP F[C@H]1CC2(CC[C@H]1[NH2+]CC1CC[NH+](Cc3cccs3)CC1)OCCO2 ZINC000892752381 740040485 /nfs/dbraw/zinc/04/04/85/740040485.db2.gz IHQAIDNEBQVLAV-ZWKOTPCHSA-N 2 0 368.518 3.183 20 0 FGADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@H]([NH+](C)C)C2)C[C@H]1C(F)(F)F ZINC000893094414 742108873 /nfs/dbraw/zinc/10/88/73/742108873.db2.gz JQTMHSPNFHGMFD-LYYZXLFJSA-N 2 0 364.452 3.359 20 0 FGADRP C[NH+](C)CCOC1CC[NH+](Cc2ccc(C(=O)OC(C)(C)C)s2)CC1 ZINC000894017937 742227331 /nfs/dbraw/zinc/22/73/31/742227331.db2.gz TYRYPTJWSLJQTK-UHFFFAOYSA-N 2 0 368.543 3.246 20 0 FGADRP CC(C)[C@@H](C[NH2+]Cc1cc2ccnc(Cl)c2s1)N1CC[NH+](C)CC1 ZINC000894168249 742247754 /nfs/dbraw/zinc/24/77/54/742247754.db2.gz QEKDOCSNLHKGTM-MRXNPFEDSA-N 2 0 366.962 3.311 20 0 FGADRP C[NH+]1CCC2(CC[N@@H+]2CCC(=O)Nc2cccc(C(F)(F)F)c2)CC1 ZINC000899909982 743026371 /nfs/dbraw/zinc/02/63/71/743026371.db2.gz IPYTZSJMTIWQHY-UHFFFAOYSA-N 2 0 355.404 3.204 20 0 FGADRP [NH3+]C[C@H]1C[C@H]([NH2+][C@H](c2cccc(Br)c2)C2CCOCC2)C1 ZINC000902486790 743749002 /nfs/dbraw/zinc/74/90/02/743749002.db2.gz RYLHYIYFRVJSFD-ZLIFDBKOSA-N 2 0 353.304 3.244 20 0 FGADRP c1sc(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)nc1-c1ccncc1 ZINC000903122153 743809166 /nfs/dbraw/zinc/80/91/66/743809166.db2.gz WJEISIYBVZZTDM-ZNXRZULTSA-N 2 0 354.523 3.495 20 0 FGADRP O[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)c1cccc(Br)c1 ZINC000903167302 743815836 /nfs/dbraw/zinc/81/58/36/743815836.db2.gz XITCQQNKRMAVKM-NXCDMZCRSA-N 2 0 365.315 3.230 20 0 FGADRP C[C@H]([NH2+]Cc1csc(NC(=O)OC(C)(C)C)n1)C1CC[NH+](C)CC1 ZINC000903377467 743843150 /nfs/dbraw/zinc/84/31/50/743843150.db2.gz QISBUHCNBKXZNM-LBPRGKRZSA-N 2 0 354.520 3.310 20 0 FGADRP [NH3+][C@H]1CCCO[C@H]1C1CC[NH+](C[C@@H]2[C@@H](c3ccccc3)C2(F)F)CC1 ZINC000903458606 743853131 /nfs/dbraw/zinc/85/31/31/743853131.db2.gz FLHZLGRZFDOJFQ-HCXYKTFWSA-N 2 0 350.453 3.254 20 0 FGADRP Clc1ccc(C2([NH2+]C[C@@H]3CC4(CO3)CC[NH2+]CC4)CCOCC2)cc1 ZINC000903733361 743880104 /nfs/dbraw/zinc/88/01/04/743880104.db2.gz MHYFHJHJNVODHR-SFHVURJKSA-N 2 0 364.917 3.094 20 0 FGADRP FC(F)(F)c1cccc([C@@H]2CC[N@H+](C[C@H]3C[C@]4(CC[NH2+]C4)CO3)C2)c1 ZINC000903756613 743881078 /nfs/dbraw/zinc/88/10/78/743881078.db2.gz UDQQIPXDIVBOCW-NXHRZFHOSA-N 2 0 354.416 3.263 20 0 FGADRP Clc1ccc(C2(C[NH2+]Cc3cnnn3[C@H]3CCC[NH2+]C3)CCC2)cc1 ZINC000903923423 743897731 /nfs/dbraw/zinc/89/77/31/743897731.db2.gz TYDIJQWJMOHTIW-KRWDZBQOSA-N 2 0 359.905 3.068 20 0 FGADRP C[C@H](C[NH2+]Cc1cnnn1[C@@H]1CCC[NH2+]C1)c1c(Cl)cccc1Cl ZINC000903924461 743898559 /nfs/dbraw/zinc/89/85/59/743898559.db2.gz DHEVEIBCHOJRER-CHWSQXEVSA-N 2 0 368.312 3.403 20 0 FGADRP CC1([NH+]2CCC2)CCC([NH2+]C[C@@H](O)c2ccccc2Br)CC1 ZINC000905603036 744035704 /nfs/dbraw/zinc/03/57/04/744035704.db2.gz XDFVBGGVJAHKOF-ZCDVPAHGSA-N 2 0 367.331 3.479 20 0 FGADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@H]2CC[C@H](CNC(=O)OC(C)(C)C)C2)C1 ZINC000921688961 758770583 /nfs/dbraw/zinc/77/05/83/758770583.db2.gz MVLBPIYLXOKYRU-KSZLIROESA-N 2 0 353.551 3.390 20 0 FGADRP CC(C)[C@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1ccc(Br)cc1)C2 ZINC000922388385 758910388 /nfs/dbraw/zinc/91/03/88/758910388.db2.gz PLGQKSVZMGDBQC-BRSBDYLESA-N 2 0 367.331 3.018 20 0 FGADRP CC(C)[C@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1ccc(C(F)(F)F)s1)C2 ZINC000922388172 758910633 /nfs/dbraw/zinc/91/06/33/758910633.db2.gz CMNHMBNXFCFXBV-RRCSTGOVSA-N 2 0 362.461 3.336 20 0 FGADRP CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]Cc3nc(C(C)(C)C)cs3)C2)[C@H]1C(C)C ZINC000922391833 758911837 /nfs/dbraw/zinc/91/18/37/758911837.db2.gz ACUAGDYWBZRLIF-YZDADXEPSA-N 2 0 365.587 3.400 20 0 FGADRP CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]Cc3cnc(C(C)C)s3)C2)[C@H]1C(C)C ZINC000922394730 758913610 /nfs/dbraw/zinc/91/36/10/758913610.db2.gz SERXVTCKJTVSEF-YWTNHNAXSA-N 2 0 351.560 3.226 20 0 FGADRP C[N@H+](C[C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923329884 759101912 /nfs/dbraw/zinc/10/19/12/759101912.db2.gz ZUGUMDOLRAIHRB-RBEWDSDLSA-N 2 0 354.416 3.383 20 0 FGADRP C[C@@H]1CC2(C[N@@H+]1C[C@H](O)Cc1ccccc1C(F)(F)F)CC[NH2+]CC2 ZINC000923382562 759109142 /nfs/dbraw/zinc/10/91/42/759109142.db2.gz CXKLHDQCDRYLIX-GDBMZVCRSA-N 2 0 356.432 3.073 20 0 FGADRP [NH3+]CC[C@H]1CC[N@H+](Cc2ccnc(-c3ccc(Br)cc3)n2)C1 ZINC000923480862 759128282 /nfs/dbraw/zinc/12/82/82/759128282.db2.gz KUTBQNDKRIOHJL-ZDUSSCGKSA-N 2 0 361.287 3.077 20 0 FGADRP COc1ccc(-c2nc(C[N@@H+]3CC[C@H](C[NH3+])[C@H](C)C3)cs2)cc1OC ZINC000923495277 759132329 /nfs/dbraw/zinc/13/23/29/759132329.db2.gz BECTZDUBNIQSOU-UKRRQHHQSA-N 2 0 361.511 3.244 20 0 FGADRP C[NH+]1CCN(CCC[NH2+][C@H](c2ccc(Cl)cc2)c2ccccn2)CC1 ZINC000924578285 759356581 /nfs/dbraw/zinc/35/65/81/759356581.db2.gz MWUJXPQKQRIXMG-HXUWFJFHSA-N 2 0 358.917 3.052 20 0 FGADRP [NH3+]CCC[C@H]([NH2+]CC(=O)Nc1ccc(F)c(F)c1F)c1ccccc1 ZINC000925581868 759509345 /nfs/dbraw/zinc/50/93/45/759509345.db2.gz WRNDYIXWHKXFOI-AWEZNQCLSA-N 2 0 351.372 3.112 20 0 FGADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]C2CC(CNC(=O)OC(C)(C)C)C2)C1 ZINC000925588310 759510366 /nfs/dbraw/zinc/51/03/66/759510366.db2.gz PLMMWFKENDQJKC-WWDZGPRUSA-N 2 0 353.551 3.247 20 0 FGADRP [NH3+]C1CCN(CC[NH2+][C@@H](c2cccc(OC(F)(F)F)c2)C2CC2)CC1 ZINC000925817901 759550639 /nfs/dbraw/zinc/55/06/39/759550639.db2.gz XFYBLSJJVGEURT-QGZVFWFLSA-N 2 0 357.420 3.049 20 0 FGADRP Cc1c(Br)cccc1CC[NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000925831310 759554136 /nfs/dbraw/zinc/55/41/36/759554136.db2.gz DEGRJLMUSPNYLG-BPQIPLTHSA-N 2 0 367.331 3.047 20 0 FGADRP CCC[C@H]([NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ccc(Cl)cc1 ZINC000925850389 759558308 /nfs/dbraw/zinc/55/83/08/759558308.db2.gz ADMVWGPXFDKTJE-IRXDYDNUSA-N 2 0 350.890 3.456 20 0 FGADRP C[C@@H]([NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ccc(C(F)(F)F)cc1 ZINC000925854475 759559536 /nfs/dbraw/zinc/55/95/36/759559536.db2.gz NBHWWFXDCXGICP-DOMZBBRYSA-N 2 0 356.388 3.041 20 0 FGADRP Cc1nc(C(C)(C)C)sc1[C@@H](C)[NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925853069 759559563 /nfs/dbraw/zinc/55/95/63/759559563.db2.gz JFQXVMWLSJAEDR-OCCSQVGLSA-N 2 0 365.543 3.085 20 0 FGADRP Cc1nc(C(C)(C)C)sc1[C@@H](C)[NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925853591 759559593 /nfs/dbraw/zinc/55/95/93/759559593.db2.gz JFQXVMWLSJAEDR-TZMCWYRMSA-N 2 0 365.543 3.085 20 0 FGADRP C[C@@H](CC(=O)Nc1cccnc1Cl)[NH2+]C1CCC(C)([NH+]2CCC2)CC1 ZINC000927039533 759880566 /nfs/dbraw/zinc/88/05/66/759880566.db2.gz VKXXFYWGVQJELR-XVTSOASTSA-N 2 0 364.921 3.449 20 0 FGADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](C[NH2+]Cc3ccc(Cl)cc3)C2)CC[N@@H+]1C ZINC000983712753 763663451 /nfs/dbraw/zinc/66/34/51/763663451.db2.gz CAKBBFIFOIUJJT-DSLXNQLJSA-N 2 0 363.933 3.055 20 0 FGADRP Cc1ccc(C[NH2+][C@@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)c(Cl)c1 ZINC000999188431 765143993 /nfs/dbraw/zinc/14/39/93/765143993.db2.gz AMVFPWNPWUZNCE-KBAYOESNSA-N 2 0 363.933 3.069 20 0 FGADRP C[C@@H]1[C@H](C(=O)N2CCC[C@@H](C[NH2+]Cc3ccc(Cl)cc3)C2)CC[N@@H+]1C ZINC001023994130 766047779 /nfs/dbraw/zinc/04/77/79/766047779.db2.gz ZIPNOJZRVADESV-HHXXYDBFSA-N 2 0 363.933 3.008 20 0 FGADRP C[C@@H]1[C@H](C(=O)N2CCC[C@H]([NH+](C)Cc3ccc(Cl)cc3)C2)CC[N@@H+]1C ZINC001027416325 766092299 /nfs/dbraw/zinc/09/22/99/766092299.db2.gz FBXOMMZRWLUTEG-AYOQOUSVSA-N 2 0 363.933 3.103 20 0 FGADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[C@H]([NH2+]CCc3cccs3)CC2)CC[N@@H+]1C ZINC001034649861 766244106 /nfs/dbraw/zinc/24/41/06/766244106.db2.gz YFSDLRDSIHKBEI-PBWTXFEYSA-N 2 0 363.571 3.038 20 0 FGADRP Cc1cc(Cl)ccc1C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001034939625 766250462 /nfs/dbraw/zinc/25/04/62/766250462.db2.gz HYLDLNJJWNVFRI-ATZDWAIDSA-N 2 0 363.933 3.069 20 0 FGADRP Cc1cccc(Cl)c1C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001045044184 766504054 /nfs/dbraw/zinc/50/40/54/766504054.db2.gz WMSVVGSPXOBZFT-IXDOHACOSA-N 2 0 363.933 3.069 20 0 FGADRP C[C@@H]1[C@H](C(=O)NC2(C)CC[NH+](Cc3sccc3Cl)CC2)CC[N@@H+]1C ZINC001045444456 766537534 /nfs/dbraw/zinc/53/75/34/766537534.db2.gz BONZCHIQVZZILA-ZIAGYGMSSA-N 2 0 369.962 3.212 20 0 FGADRP C[C@H]([NH2+]CCCN1CCC[N@H+](C)CC1)c1ccc(Br)s1 ZINC000128286910 495073676 /nfs/dbraw/zinc/07/36/76/495073676.db2.gz HMQDSAHUPXSKLQ-ZDUSSCGKSA-N 2 0 360.365 3.189 20 0 FGADRP CCC1(C[NH2+]Cc2cnn(CCOC)c2)CC[NH+](Cc2ccccc2)CC1 ZINC000533124345 503739174 /nfs/dbraw/zinc/73/91/74/503739174.db2.gz AYAQBNCAQIBZRA-UHFFFAOYSA-N 2 0 370.541 3.312 20 0 FGADRP CCCC[N@H+](C)C[C@H](C)NC(=O)c1ccc(N2CC[NH+](C(C)C)CC2)cc1 ZINC000570767227 505575827 /nfs/dbraw/zinc/57/58/27/505575827.db2.gz JDTSKNPNBQNCFJ-IBGZPJMESA-N 2 0 374.573 3.067 20 0 FGADRP C[C@H](c1ccc(Br)cc1)N1CC[NH+](CC[C@H]2CC[NH2+]C2)CC1 ZINC000579597909 505583741 /nfs/dbraw/zinc/58/37/41/505583741.db2.gz JONRCLCIQZCBFG-HZPDHXFCSA-N 2 0 366.347 3.127 20 0 FGADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCCN2c3ccccc3C[C@H]2C1 ZINC000576748902 505584479 /nfs/dbraw/zinc/58/44/79/505584479.db2.gz FCXBOPJSAQBAHA-NRFANRHFSA-N 2 0 359.477 3.213 20 0 FGADRP CC[NH+](CC)CCN(CCC(F)(F)F)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000576761468 505588489 /nfs/dbraw/zinc/58/84/89/505588489.db2.gz NKBQHXRIEPLTDU-UHFFFAOYSA-N 2 0 357.464 3.429 20 0 FGADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCCC[C@@H](N2C(=O)c3ccccc3C2=O)C1 ZINC000573674959 505593616 /nfs/dbraw/zinc/59/36/16/505593616.db2.gz RPQFOADDHUKGSZ-LJCCNALRSA-N 2 0 369.509 3.091 20 0 FGADRP C[C@@H]1C[C@H]([NH2+]C[C@H](O)Cn2c3ccccc3c3ccccc32)CC[N@@H+]1C ZINC000573676191 505594187 /nfs/dbraw/zinc/59/41/87/505594187.db2.gz BHQTXIRREGBCIC-KURKYZTESA-N 2 0 351.494 3.228 20 0 FGADRP Fc1ccc(-c2nc(CN3CC[NH+](CC[C@H]4CC[NH2+]C4)CC3)cs2)cc1 ZINC000567990326 505591445 /nfs/dbraw/zinc/59/14/45/505591445.db2.gz SWHNHOFMEPBIPQ-MRXNPFEDSA-N 2 0 374.529 3.066 20 0 FGADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)Nc2ccc3c(c2)C[NH2+]CCO3)C1 ZINC000573666833 505591638 /nfs/dbraw/zinc/59/16/38/505591638.db2.gz VXPHBSBIGAUDGL-MRXNPFEDSA-N 2 0 374.529 3.191 20 0 FGADRP COc1ccc(C[NH+]2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c(F)c1 ZINC000568031332 505599983 /nfs/dbraw/zinc/59/99/83/505599983.db2.gz UQCPQPMWOCDPAT-IYBDPMFKSA-N 2 0 350.478 3.156 20 0 FGADRP C[C@H](c1cccc(Br)c1)[N@H+](C)CCCN(C)CC[NH+](C)C ZINC000573721313 505604378 /nfs/dbraw/zinc/60/43/78/505604378.db2.gz JMAMARFKGIMVFY-OAHLLOKOSA-N 2 0 356.352 3.325 20 0 FGADRP C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N2CCC(CC[NH3+])CC2)C1 ZINC000568052824 505604434 /nfs/dbraw/zinc/60/44/34/505604434.db2.gz JMVRNRAUKUNXLY-SFHVURJKSA-N 2 0 372.557 3.189 20 0 FGADRP C[C@@H]1CN([C@H](C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)c2c(F)cccc2Cl)CCO1 ZINC000579734904 505610184 /nfs/dbraw/zinc/61/01/84/505610184.db2.gz ZUNGSFZUTRTIDY-ATNYBXOESA-N 2 0 369.912 3.100 20 0 FGADRP c1cncc([C@@H]2CCC[NH+]2CCOCC[N@@H+]2CCC[C@H]2c2cccnc2)c1 ZINC000573829035 505630661 /nfs/dbraw/zinc/63/06/61/505630661.db2.gz YVEOXPMDTLDUJP-VXKWHMMOSA-N 2 0 366.509 3.467 20 0 FGADRP C[NH+](C)Cc1ccc(NC(=O)[C@@H]2CCC[N@H+](Cc3cccnc3)C2)c(F)c1 ZINC000580047537 505669707 /nfs/dbraw/zinc/66/97/07/505669707.db2.gz NPDBKWCOUDEMCT-GOSISDBHSA-N 2 0 370.472 3.133 20 0 FGADRP C[NH+](C)CCCOc1cnccc1C[NH2+][C@H]1CS[C@@H](C(C)(C)C)C1 ZINC000577146968 505673151 /nfs/dbraw/zinc/67/31/51/505673151.db2.gz VEPMEMXEBUXDIG-SJLPKXTDSA-N 2 0 351.560 3.422 20 0 FGADRP CC[N@H+](C)[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000068369952 493806313 /nfs/dbraw/zinc/80/63/13/493806313.db2.gz LUXJLCZUSDEMNZ-JOCHJYFZSA-N 2 0 365.521 3.460 20 0 FGADRP C[C@@H]1C[NH+](Cc2ccccc2C[NH2+]Cc2cccc3c2OCO3)C[C@@H](C)O1 ZINC000048816823 493847686 /nfs/dbraw/zinc/84/76/86/493847686.db2.gz UVVWFWBRXGMNCW-IAGOWNOFSA-N 2 0 368.477 3.314 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(F)cc1C ZINC000076332010 493866921 /nfs/dbraw/zinc/86/69/21/493866921.db2.gz QMIXJWDWEQQBAX-QGZVFWFLSA-N 2 0 350.482 3.014 20 0 FGADRP C[NH+](C)Cc1ccccc1CNC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000050025592 493891712 /nfs/dbraw/zinc/89/17/12/493891712.db2.gz QEPKWNJDPSFMRW-QFIPXVFZSA-N 2 0 365.521 3.277 20 0 FGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](c1cccc(OC)c1)[NH+](CC)CC ZINC000060335514 493923628 /nfs/dbraw/zinc/92/36/28/493923628.db2.gz NFVLNUKEXQQCLK-UXHICEINSA-N 2 0 361.530 3.069 20 0 FGADRP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC000574090617 505690982 /nfs/dbraw/zinc/69/09/82/505690982.db2.gz UIWCEIAJWDLEAL-UYAOXDASSA-N 2 0 357.542 3.278 20 0 FGADRP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)N[C@@H]2CCC[N@H+](C)C2)C1 ZINC000052524379 494035324 /nfs/dbraw/zinc/03/53/24/494035324.db2.gz ODMQUBDADLVYNW-DBXWQHBBSA-N 2 0 372.557 3.058 20 0 FGADRP O[C@H](C[NH2+]CC1CC[NH+](C2CC2)CC1)Cc1ccc(C(F)(F)F)cc1 ZINC000577275619 505698680 /nfs/dbraw/zinc/69/86/80/505698680.db2.gz JISIUSPCCIJXMW-SFHVURJKSA-N 2 0 356.432 3.073 20 0 FGADRP C[C@@H](NC(=O)C[NH+]1CCC(CC[NH+](C)C)CC1)c1ccc2c(c1)CCCC2 ZINC000071997672 494114518 /nfs/dbraw/zinc/11/45/18/494114518.db2.gz IDTKYFWKHXNDOX-GOSISDBHSA-N 2 0 371.569 3.406 20 0 FGADRP C[C@@H](NC(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1)C(C)(C)C[NH+](C)C ZINC000085361535 494116765 /nfs/dbraw/zinc/11/67/65/494116765.db2.gz GLUAQZJFASMCKE-QZTJIDSGSA-N 2 0 374.573 3.488 20 0 FGADRP C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000085400717 494120368 /nfs/dbraw/zinc/12/03/68/494120368.db2.gz AYDOETGCYIEAEH-PXNSSMCTSA-N 2 0 364.578 3.013 20 0 FGADRP Cc1ccc([C@@H](CNC(=O)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)[NH+](C)C)cc1 ZINC000065469419 494201486 /nfs/dbraw/zinc/20/14/86/494201486.db2.gz UWLHYURNDOOPCG-SVFBPWRDSA-N 2 0 374.573 3.265 20 0 FGADRP C[NH+](C)[C@@H](CNC(=O)Nc1ccc2c(c1)C[NH2+]CC2)c1ccc(Cl)cc1 ZINC000568488334 505707671 /nfs/dbraw/zinc/70/76/71/505707671.db2.gz HOXIGVLOTPUTDW-IBGZPJMESA-N 2 0 372.900 3.410 20 0 FGADRP C[NH+](C)C1(CNC(=O)NCC[N@@H+](C)Cc2ccccc2)CCCCCC1 ZINC000065541537 494212127 /nfs/dbraw/zinc/21/21/27/494212127.db2.gz CKMSMPBYFITRJA-UHFFFAOYSA-N 2 0 360.546 3.072 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@H]1CCC[NH+](Cc2cccc(F)c2)C1 ZINC000065867569 494248940 /nfs/dbraw/zinc/24/89/40/494248940.db2.gz FOHGHYPITHCQSR-MJGOQNOKSA-N 2 0 361.505 3.028 20 0 FGADRP CCC[NH+]1CCN(c2ccccc2CNC2CC[NH+](CC(C)C)CC2)CC1 ZINC000088678129 494255878 /nfs/dbraw/zinc/25/58/78/494255878.db2.gz FIANOTNVOJDFJQ-UHFFFAOYSA-N 2 0 372.601 3.429 20 0 FGADRP C[C@H]1CCC[N@H+](CCCCNC(=O)NC[C@@H](c2cccs2)[NH+](C)C)C1 ZINC000043144378 494269606 /nfs/dbraw/zinc/26/96/06/494269606.db2.gz DMJJUCUAONOBKA-IRXDYDNUSA-N 2 0 366.575 3.162 20 0 FGADRP Cc1c[nH+]ccc1N1CCC(C(=O)NC[C@@H](c2ccsc2)[NH+](C)C)CC1 ZINC000072883815 494275251 /nfs/dbraw/zinc/27/52/51/494275251.db2.gz ZQSCYBHOHRMXHT-IBGZPJMESA-N 2 0 372.538 3.087 20 0 FGADRP O=C(Nc1ccc(CC[NH+]2CCCCC2)cc1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000066160620 494280923 /nfs/dbraw/zinc/28/09/23/494280923.db2.gz AOJIEROINJTDFE-OAQYLSRUSA-N 2 0 370.541 3.417 20 0 FGADRP C[N@H+](Cc1ccccc1CNC(=O)C1CC[NH+](C)CC1)C1CCCCC1 ZINC000073027314 494307961 /nfs/dbraw/zinc/30/79/61/494307961.db2.gz NRYNXQQKTCUNBS-UHFFFAOYSA-N 2 0 357.542 3.409 20 0 FGADRP C[C@H](CC(=O)Nc1cccnc1Cl)[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000089513007 494319258 /nfs/dbraw/zinc/31/92/58/494319258.db2.gz TYQFISMCILSDRR-CYBMUJFWSA-N 2 0 352.910 3.305 20 0 FGADRP C[C@H](C[NH2+][C@H]1CCc2c1cc(Cl)cc2Cl)CN1CC[NH+](C)CC1 ZINC000089701435 494345845 /nfs/dbraw/zinc/34/58/45/494345845.db2.gz JWLMKZLMQFPJGN-ACJLOTCBSA-N 2 0 356.341 3.454 20 0 FGADRP CC[NH+]1CCC(CCNC(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)CC1 ZINC000073415399 494369027 /nfs/dbraw/zinc/36/90/27/494369027.db2.gz QGJSVACOTOXXOY-NRFANRHFSA-N 2 0 372.557 3.245 20 0 FGADRP CC[NH+]1CCC(CCNC(=O)NCc2cccc(C[NH+]3CCCC3)c2)CC1 ZINC000073628177 494403619 /nfs/dbraw/zinc/40/36/19/494403619.db2.gz MKXWIPSFTGNZHD-UHFFFAOYSA-N 2 0 372.557 3.204 20 0 FGADRP O=C(NCCC[NH2+]C1CCCCC1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000079116430 494405834 /nfs/dbraw/zinc/40/58/34/494405834.db2.gz SRLASJQEZHOJMS-UHFFFAOYSA-N 2 0 372.557 3.394 20 0 FGADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)NCCC[NH+](C)C2CCCCC2)C1 ZINC000073661125 494408948 /nfs/dbraw/zinc/40/89/48/494408948.db2.gz POMGQZWTHGJJPX-GOSISDBHSA-N 2 0 352.567 3.014 20 0 FGADRP Cc1ccc([C@H](C)[NH2+]Cc2ccc(C(=O)NCC[NH+](C)C)cc2)c(C)c1 ZINC000090038531 494431268 /nfs/dbraw/zinc/43/12/68/494431268.db2.gz LTWGLUQTJXMUES-SFHVURJKSA-N 2 0 353.510 3.446 20 0 FGADRP CC[NH+](CC)Cc1cccc(C[NH2+][C@H](C)C(=O)NCc2ccc(F)cc2)c1 ZINC000079307400 494433960 /nfs/dbraw/zinc/43/39/60/494433960.db2.gz MMQHIWKWXDWQBD-QGZVFWFLSA-N 2 0 371.500 3.462 20 0 FGADRP CC[NH+]1CCC(CCNC(=O)N[C@@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)CC1 ZINC000073819631 494434110 /nfs/dbraw/zinc/43/41/10/494434110.db2.gz HNCILGIWFXBYBL-GHTZIAJQSA-N 2 0 372.557 3.243 20 0 FGADRP CC[N@H+](C)Cc1cccc(CNC(=O)N(C)CC[C@H]2CCCC[NH+]2C)c1 ZINC000073918082 494448110 /nfs/dbraw/zinc/44/81/10/494448110.db2.gz BKKGDHLMXBNPFR-HXUWFJFHSA-N 2 0 360.546 3.154 20 0 FGADRP C[C@@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)c1ccc(OC(F)F)cc1 ZINC000090937016 494504310 /nfs/dbraw/zinc/50/43/10/494504310.db2.gz RYTWCTMYGMXZMD-CQSZACIVSA-N 2 0 365.424 3.474 20 0 FGADRP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000079733757 494517832 /nfs/dbraw/zinc/51/78/32/494517832.db2.gz CKFSJRNJZRFULM-FPOVZHCZSA-N 2 0 374.573 3.113 20 0 FGADRP CCc1ccc([C@@H](C)NC(=O)[C@@H](C)[NH+]2CCC(CC[NH+](C)C)CC2)cc1 ZINC000056523316 494520038 /nfs/dbraw/zinc/52/00/38/494520038.db2.gz JTUBRJOVBOVZHC-QZTJIDSGSA-N 2 0 359.558 3.478 20 0 FGADRP CC(C)[N@H+](C)Cc1cccc(C[NH2+]Cc2ccc(S(C)(=O)=O)cc2)c1 ZINC000067450032 494543341 /nfs/dbraw/zinc/54/33/41/494543341.db2.gz JTJWJYLDNULJBS-UHFFFAOYSA-N 2 0 360.523 3.220 20 0 FGADRP COc1ccccc1[C@@H]([NH2+]C[C@@H](C)CN1CC[NH+](C)CC1)C1CCCC1 ZINC000091320295 494584242 /nfs/dbraw/zinc/58/42/42/494584242.db2.gz HJCWLBXGAZDQFU-GCJKJVERSA-N 2 0 359.558 3.400 20 0 FGADRP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)c1nc2ccc(Cl)cc2n1C ZINC000091336509 494586404 /nfs/dbraw/zinc/58/64/04/494586404.db2.gz BACAGMKTPCRLNG-GDBMZVCRSA-N 2 0 364.921 3.114 20 0 FGADRP O=C(c1cccc(C[NH+]2CCCC2)c1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000131341641 494589154 /nfs/dbraw/zinc/58/91/54/494589154.db2.gz OJQSVDSRHBVRRU-OAQYLSRUSA-N 2 0 355.526 3.373 20 0 FGADRP C[C@H](CNC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)C[NH+]1CCCC1 ZINC000080095240 494592611 /nfs/dbraw/zinc/59/26/11/494592611.db2.gz MAOMGJMXDRQQDL-SVFBPWRDSA-N 2 0 372.557 3.071 20 0 FGADRP CCCC[N@H+](C)CC1CCN(C(=O)NC2C[C@H]3CCC[C@@H](C2)[NH+]3C)CC1 ZINC000074792018 494602954 /nfs/dbraw/zinc/60/29/54/494602954.db2.gz LVTRNPYJIXUKGP-IHWFROFDSA-N 2 0 364.578 3.155 20 0 FGADRP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)Cc2cccc(-c3ccncc3)c2)CC1 ZINC000121124779 494606927 /nfs/dbraw/zinc/60/69/27/494606927.db2.gz WPJGOAHQETVPTP-GOSISDBHSA-N 2 0 353.510 3.273 20 0 FGADRP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](Cc2coc3ccccc23)CC1 ZINC000092426417 494622374 /nfs/dbraw/zinc/62/23/74/494622374.db2.gz LRHZLPMQMUHTNU-UHFFFAOYSA-N 2 0 371.525 3.349 20 0 FGADRP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](Cc2cccc3[nH]ccc32)CC1 ZINC000092427192 494624267 /nfs/dbraw/zinc/62/42/67/494624267.db2.gz WLRFDJOKMUKOOR-UHFFFAOYSA-N 2 0 370.541 3.084 20 0 FGADRP Cc1ccc(C[NH+]2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)c(C)c1 ZINC000092426705 494625582 /nfs/dbraw/zinc/62/55/82/494625582.db2.gz VIOLAGYAUIIQBE-UHFFFAOYSA-N 2 0 359.558 3.219 20 0 FGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H](C)c2ccccc2Br)CC1 ZINC000121166745 494627463 /nfs/dbraw/zinc/62/74/63/494627463.db2.gz DLPBTJDANRXITB-HZPDHXFCSA-N 2 0 368.363 3.373 20 0 FGADRP C[C@H]1CCC[N@H+](CCNC(=O)N2CCC(C[NH+]3CCCCCC3)CC2)C1 ZINC000107983931 494631273 /nfs/dbraw/zinc/63/12/73/494631273.db2.gz PZRYBNYAIOESDO-IBGZPJMESA-N 2 0 364.578 3.016 20 0 FGADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1cccc(C(F)(F)F)c1 ZINC000057157256 494659352 /nfs/dbraw/zinc/65/93/52/494659352.db2.gz DTCCZSAWSIHGEI-UHFFFAOYSA-N 2 0 359.436 3.051 20 0 FGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H](C)c2ccc(-n3ccnc3C)cc2)CC1 ZINC000121249692 494665419 /nfs/dbraw/zinc/66/54/19/494665419.db2.gz NXNCDFRBSGYHJW-MOPGFXCFSA-N 2 0 369.557 3.105 20 0 FGADRP C[C@H](CN(C)Cc1ccccc1)[NH2+][C@H](C)Cn1cc(Br)cn1 ZINC000126323471 494708760 /nfs/dbraw/zinc/70/87/60/494708760.db2.gz AYODCJVQFHCWAU-HUUCEWRRSA-N 2 0 365.319 3.144 20 0 FGADRP C[NH+]1CCC(O)(C[NH2+]Cc2cc(Cl)ccc2OC2CCCC2)CC1 ZINC000080518336 494725544 /nfs/dbraw/zinc/72/55/44/494725544.db2.gz JNEWEALROYNBML-UHFFFAOYSA-N 2 0 352.906 3.208 20 0 FGADRP C[NH+]1CCN(CCC[NH2+][C@@H]2CCCc3ccc(Br)cc32)CC1 ZINC000092720766 494726435 /nfs/dbraw/zinc/72/64/35/494726435.db2.gz DEVHVWGIURUKQI-GOSISDBHSA-N 2 0 366.347 3.054 20 0 FGADRP C[C@@H]([NH2+]CCCC[NH+]1CCN(Cc2ccccc2)CC1)c1ccc(F)cn1 ZINC000092739817 494734147 /nfs/dbraw/zinc/73/41/47/494734147.db2.gz XMZCGHWRLRVENN-LJQANCHMSA-N 2 0 370.516 3.469 20 0 FGADRP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+](C)Cc1ccccc1 ZINC000025417747 494738464 /nfs/dbraw/zinc/73/84/64/494738464.db2.gz NCDSOEGITDQQAG-IBGZPJMESA-N 2 0 365.521 3.288 20 0 FGADRP Brc1cc2c(c(C[N@@H+]3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)c1)OCC2 ZINC000577492676 505738875 /nfs/dbraw/zinc/73/88/75/505738875.db2.gz NFLOAZOTOSCNRN-LSDHHAIUSA-N 2 0 365.315 3.206 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)NC[C@@H](c2cccs2)[NH+](C)C)C1 ZINC000047832201 494781633 /nfs/dbraw/zinc/78/16/33/494781633.db2.gz DSKBZMSJBNTNDD-BBWFWOEESA-N 2 0 366.575 3.018 20 0 FGADRP COc1ccc([C@H]2CCCN2C(=O)C[NH+]2CCC(CC[NH+](C)C)CC2)cc1 ZINC000121610675 494819568 /nfs/dbraw/zinc/81/95/68/494819568.db2.gz OSINVMAYTWJQML-OAQYLSRUSA-N 2 0 373.541 3.022 20 0 FGADRP C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)C[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000121620104 494822357 /nfs/dbraw/zinc/82/23/57/494822357.db2.gz JTVUKNJKYLWIQR-HNNXBMFYSA-N 2 0 367.484 3.148 20 0 FGADRP C[C@@H](C[NH2+][C@@H](C)c1ccc(Br)cc1F)CN1CC[NH+](C)CC1 ZINC000126703601 494823330 /nfs/dbraw/zinc/82/33/30/494823330.db2.gz GPRGFMNFFFLATI-KBPBESRZSA-N 2 0 372.326 3.122 20 0 FGADRP Cc1cc(Cl)c2c(c1)[C@@H]([NH2+]CCN1CCC([NH+](C)C)CC1)CCCO2 ZINC000126769835 494835187 /nfs/dbraw/zinc/83/51/87/494835187.db2.gz XRFIXGIDMPSBQN-IBGZPJMESA-N 2 0 365.949 3.478 20 0 FGADRP C[N@@H+]1CCC[C@@H](CNC(=O)c2ccccc2CC[NH3+])[C@@H]1c1cccs1 ZINC000577525883 505745699 /nfs/dbraw/zinc/74/56/99/505745699.db2.gz NZSVDSIBWZJSLT-QFBILLFUSA-N 2 0 357.523 3.062 20 0 FGADRP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccccc2N(C)C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000093639240 494907159 /nfs/dbraw/zinc/90/71/59/494907159.db2.gz KIIIBAPRBPCSND-KNQAVFIVSA-N 3 0 372.601 3.379 20 0 FGADRP COc1ccc(C[NH+]2CCC(CC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)cc1O ZINC000093844306 494926763 /nfs/dbraw/zinc/92/67/63/494926763.db2.gz ANDDLMNJRWJSFQ-IAGOWNOFSA-N 2 0 362.514 3.112 20 0 FGADRP C[C@H](C[NH2+][C@H]1CCCc2nc(-c3ccccc3)sc21)N1CC[NH+](C)CC1 ZINC000127388600 494937832 /nfs/dbraw/zinc/93/78/32/494937832.db2.gz IPHGBKRDABCPLE-AEFFLSMTSA-N 2 0 370.566 3.413 20 0 FGADRP Cc1nc(-c2cc([C@@H](C)[NH2+]C[C@@H](C)N3CC[NH+](C)CC3)cs2)cs1 ZINC000127550554 494960836 /nfs/dbraw/zinc/96/08/36/494960836.db2.gz XNIPIFPIGUVNIS-ZIAGYGMSSA-N 2 0 364.584 3.467 20 0 FGADRP Cc1cc(Cl)c(NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc1Cl ZINC000133137219 494975397 /nfs/dbraw/zinc/97/53/97/494975397.db2.gz AUYUISJFHDVIPX-UHFFFAOYSA-N 2 0 361.317 3.259 20 0 FGADRP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000580412977 505753944 /nfs/dbraw/zinc/75/39/44/505753944.db2.gz MHSJMDGDHGLWHN-GHTZIAJQSA-N 2 0 372.557 3.474 20 0 FGADRP C[C@H](C(=O)N1CC[C@H]([NH+]2CCCC2)C1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000110690523 495000693 /nfs/dbraw/zinc/00/06/93/495000693.db2.gz ORUUHUSPKVFIFQ-KNQAVFIVSA-N 2 0 369.553 3.026 20 0 FGADRP CC(C)[C@H](C(=O)Nc1ccc(NC(=O)CC[NH+]2CCCCC2)cc1)[NH+](C)C ZINC000110680220 495001060 /nfs/dbraw/zinc/00/10/60/495001060.db2.gz SDLOQWZMJDYRBO-HXUWFJFHSA-N 2 0 374.529 3.026 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)N2CCC(CC[NH+](C)C)CC2)C1 ZINC000097216231 495028408 /nfs/dbraw/zinc/02/84/08/495028408.db2.gz HPWVAYOKELJKLU-HDICACEKSA-N 2 0 366.594 3.116 20 0 FGADRP C[NH+](C)Cc1cccc(CNC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)c1 ZINC000098093310 495053485 /nfs/dbraw/zinc/05/34/85/495053485.db2.gz MTDCBCULCGKIPW-NRFANRHFSA-N 2 0 351.494 3.029 20 0 FGADRP CC(C)C[N@H+](CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)C1CC1 ZINC000101544140 495073832 /nfs/dbraw/zinc/07/38/32/495073832.db2.gz ZGAYHLSXDLRKBL-UHFFFAOYSA-N 2 0 361.555 3.294 20 0 FGADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+]C[C@@H](O)Cc2ccc(C(F)(F)F)cc2)C1 ZINC000571551440 505759838 /nfs/dbraw/zinc/75/98/38/505759838.db2.gz MXNGRDIKADRQCO-AEFFLSMTSA-N 2 0 358.448 3.319 20 0 FGADRP C[NH+](C)CCCC1CC[NH+](C[C@@H](O)COc2ccc(Cl)cc2)CC1 ZINC000123113289 495082443 /nfs/dbraw/zinc/08/24/43/495082443.db2.gz NMQYLLHWAGJAMW-GOSISDBHSA-N 2 0 354.922 3.134 20 0 FGADRP C[NH+](C)CCCC1CC[NH+](C[C@@H](O)COCc2ccccc2Cl)CC1 ZINC000123192170 495094421 /nfs/dbraw/zinc/09/44/21/495094421.db2.gz PUECXYLHDIEPHD-LJQANCHMSA-N 2 0 368.949 3.271 20 0 FGADRP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)NCCCCC[NH+]2CCCCC2)C1 ZINC000111857210 495121424 /nfs/dbraw/zinc/12/14/24/495121424.db2.gz ALXQTITVEDWVHT-IBGZPJMESA-N 2 0 352.567 3.062 20 0 FGADRP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCC([NH+]3CCCC3)CC2)C1 ZINC000111881286 495124769 /nfs/dbraw/zinc/12/47/69/495124769.db2.gz DRFHHOLRJYYIOT-SFHVURJKSA-N 2 0 364.578 3.157 20 0 FGADRP Cc1ccc(C[NH2+]Cc2cccc(OCC[N@@H+](C)C3CCOCC3)c2)nc1 ZINC000134277451 495129165 /nfs/dbraw/zinc/12/91/65/495129165.db2.gz YLLURQHKKOUZSL-UHFFFAOYSA-N 2 0 369.509 3.169 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+]C[C@@H](O)COc2ccccc2Cl)C1 ZINC000568740500 505766323 /nfs/dbraw/zinc/76/63/23/505766323.db2.gz FZFWMLUYWAOFAS-FGTMMUONSA-N 2 0 368.949 3.427 20 0 FGADRP C[C@@H]1C[C@H]([NH3+])CCN1Cc1ccnc(-c2ccc(Br)cc2)n1 ZINC000574410303 505767253 /nfs/dbraw/zinc/76/72/53/505767253.db2.gz FXWPQKKCTXMBSL-IUODEOHRSA-N 2 0 361.287 3.218 20 0 FGADRP OC[C@@H](Cc1c[nH]c2ccccc12)[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000123945165 495210573 /nfs/dbraw/zinc/21/05/73/495210573.db2.gz QQQJYEAHLVRIQW-LJQANCHMSA-N 2 0 355.526 3.458 20 0 FGADRP Cc1cccn2cc(CNc3ccccc3C[NH+]3CCC(CO)CC3)nc12 ZINC000103266034 495210679 /nfs/dbraw/zinc/21/06/79/495210679.db2.gz XTRUPNXDBXBCIT-UHFFFAOYSA-N 2 0 364.493 3.459 20 0 FGADRP Cc1ccc([C@H](CNC(=O)NCCC2CC[NH+](C)CC2)[NH+]2CCCC2)cc1 ZINC000103311777 495218626 /nfs/dbraw/zinc/21/86/26/495218626.db2.gz NTTBNRCHUPZJLF-NRFANRHFSA-N 2 0 372.557 3.163 20 0 FGADRP C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)N(C)CC[NH+]3CCCC3)cc2)C1 ZINC000112742450 495234037 /nfs/dbraw/zinc/23/40/37/495234037.db2.gz BSSMCLNOEIMVFO-IBGZPJMESA-N 2 0 372.557 3.156 20 0 FGADRP CC1CC[NH+](Cc2ccccc2CNC(=O)N2CC[C@H](C[NH+](C)C)C2)CC1 ZINC000129456719 495248065 /nfs/dbraw/zinc/24/80/65/495248065.db2.gz QCOWQMKDWGIGFX-LJQANCHMSA-N 2 0 372.557 3.012 20 0 FGADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000113620854 495322036 /nfs/dbraw/zinc/32/20/36/495322036.db2.gz APOSJACQTSGNSL-OAQYLSRUSA-N 2 0 372.557 3.167 20 0 FGADRP C[C@@H]1C[NH+](Cc2ccc(C[NH2+][C@@H]3CCCc4c3cnn4C)cc2)C[C@@H](C)O1 ZINC000124651466 495322664 /nfs/dbraw/zinc/32/26/64/495322664.db2.gz DSKQDIPEWVHARV-CBGDNZLLSA-N 2 0 368.525 3.197 20 0 FGADRP CC[NH+](CC)Cc1ccc(CNC(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)cc1 ZINC000105093598 495335985 /nfs/dbraw/zinc/33/59/85/495335985.db2.gz JFMCMZNCZFGNJH-OAQYLSRUSA-N 2 0 374.573 3.448 20 0 FGADRP CC(C)[NH+]1CCC(NC(=O)C[N@H+](Cc2ccccc2)[C@@H](C)C2CC2)CC1 ZINC000114455165 495375778 /nfs/dbraw/zinc/37/57/78/495375778.db2.gz KQCIYQXTYAYSOY-SFHVURJKSA-N 2 0 357.542 3.276 20 0 FGADRP CCCC[N@H+](C)CC1CC[NH+]([C@H](C)C(=O)NCc2ccccc2F)CC1 ZINC000114475564 495380402 /nfs/dbraw/zinc/38/04/02/495380402.db2.gz FUKPJQFBXGEFGB-QGZVFWFLSA-N 2 0 363.521 3.274 20 0 FGADRP Cc1nccn1CCCC[NH+]1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000125086537 495388763 /nfs/dbraw/zinc/38/87/63/495388763.db2.gz VEQDQYVEGKQTLW-KDURUIRLSA-N 2 0 362.562 3.183 20 0 FGADRP CC[NH+]1CCN([C@@H]2CC[N@H+](CCOc3cc(Cl)cc(Cl)c3)C2)CC1 ZINC000130418158 495389465 /nfs/dbraw/zinc/38/94/65/495389465.db2.gz QWICYZNVEATWRU-QGZVFWFLSA-N 2 0 372.340 3.084 20 0 FGADRP COc1ccc([C@H](C)[C@@H](C)[NH2+]Cc2ccc(N3CC[NH+](C)CC3)nc2)cc1 ZINC000130506945 495402323 /nfs/dbraw/zinc/40/23/23/495402323.db2.gz MYHPGWKFMODXTE-QZTJIDSGSA-N 2 0 368.525 3.124 20 0 FGADRP COCCOc1ccc([C@@H](C)[NH2+]CCC2CC[NH+](C)CC2)cc1OC ZINC000125365470 495432859 /nfs/dbraw/zinc/43/28/59/495432859.db2.gz MNTCXPXOMRUZFC-MRXNPFEDSA-N 2 0 350.503 3.103 20 0 FGADRP COc1ccc([C@@H](O)C[NH2+][C@H](C)c2cccc(OCC[NH+](C)C)c2)cc1 ZINC000125402984 495439592 /nfs/dbraw/zinc/43/95/92/495439592.db2.gz KIUMDGQITBSNNN-IERDGZPVSA-N 2 0 358.482 3.020 20 0 FGADRP CC[C@H](C)[C@@H]1CN(Cc2ccc(C)nc2)CC[N@@H+]1CC[C@@H]1CCC[NH+]1C ZINC000130985302 495475663 /nfs/dbraw/zinc/47/56/63/495475663.db2.gz VAXDCPADSXNUEV-NYVOZVTQSA-N 2 0 358.574 3.407 20 0 FGADRP [NH3+][C@@H]1CCC[C@H]([NH2+]C[C@H]2CCN(c3cccc(Br)c3)C2)C1 ZINC000571657404 505785033 /nfs/dbraw/zinc/78/50/33/505785033.db2.gz LWYXBEULONCAIL-BMFZPTHFSA-N 2 0 352.320 3.135 20 0 FGADRP COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]C[C@H](C)C[NH+]1CCCC1 ZINC000120939407 495489011 /nfs/dbraw/zinc/48/90/11/495489011.db2.gz AYFXQTPFDNXAIW-GJZGRUSLSA-N 2 0 367.921 3.387 20 0 FGADRP CC[NH+](CC)CC(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000106829698 495499965 /nfs/dbraw/zinc/49/99/65/495499965.db2.gz HHLRTKZVEVEZBD-UHFFFAOYSA-N 2 0 351.922 3.010 20 0 FGADRP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)N[C@@H](C)c1cccc(-n2ccnc2)c1 ZINC000173456188 495537400 /nfs/dbraw/zinc/53/74/00/495537400.db2.gz SQOYZPSSRVVNOB-ILZDJORESA-N 2 0 367.497 3.202 20 0 FGADRP Cc1ccc([C@@H]2CCCCC[N@@H+]2CC(=O)NC2CC[NH+](C3CC3)CC2)o1 ZINC000158636943 495556467 /nfs/dbraw/zinc/55/64/67/495556467.db2.gz HPKOFTNUJRSVSX-IBGZPJMESA-N 2 0 359.514 3.248 20 0 FGADRP Cc1ccc(OC(F)F)c([C@H](C)[NH2+]CCCC[NH+]2CCN(C)CC2)c1 ZINC000154348833 495588963 /nfs/dbraw/zinc/58/89/63/495588963.db2.gz BHYUKUTXPUSROE-INIZCTEOSA-N 2 0 355.473 3.275 20 0 FGADRP CN1CC[NH+](CCCC[NH2+][C@@H]2CCc3ccc(OC(F)(F)F)cc32)CC1 ZINC000154442135 495617649 /nfs/dbraw/zinc/61/76/49/495617649.db2.gz JTRMYZTYNVVWKL-GOSISDBHSA-N 2 0 371.447 3.190 20 0 FGADRP CC1(C)CC(NC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2)CC(C)(C)[NH2+]1 ZINC000182580882 495623072 /nfs/dbraw/zinc/62/30/72/495623072.db2.gz KUONNLJHVYUXPA-IBGZPJMESA-N 2 0 357.542 3.467 20 0 FGADRP CCN1CC[NH+](CCCC[NH2+][C@H](C)c2ccc(OC)c(Cl)c2)CC1 ZINC000154474035 495627948 /nfs/dbraw/zinc/62/79/48/495627948.db2.gz NWMPSNBVBMMXAI-MRXNPFEDSA-N 2 0 353.938 3.417 20 0 FGADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)NCc2ccccc2C[NH+]2CCCC2)C1 ZINC000176410753 495641715 /nfs/dbraw/zinc/64/17/15/495641715.db2.gz LQRDWWVYUXHZQA-LJQANCHMSA-N 2 0 372.557 3.060 20 0 FGADRP CC(C)[C@H](NC(=O)CN1CC[C@H](C[NH+]2CCCC2)C1)c1ccc(F)cc1 ZINC000150820652 495644969 /nfs/dbraw/zinc/64/49/69/495644969.db2.gz HOVVRFJJTDZYHN-UTKZUKDTSA-N 2 0 361.505 3.057 20 0 FGADRP C[C@H](CNC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)[NH+](C)C1CC1 ZINC000159115661 495662704 /nfs/dbraw/zinc/66/27/04/495662704.db2.gz QZOPIRSLSXOAMX-DBXWQHBBSA-N 2 0 372.557 3.164 20 0 FGADRP CC(C)[NH+](CCCNC(=O)N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)C(C)C ZINC000182683730 495663577 /nfs/dbraw/zinc/66/35/77/495663577.db2.gz PZGZFRWAUUOHOG-OALUTQOASA-N 2 0 366.594 3.448 20 0 FGADRP C[C@@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)C(C)(C)c1ccccc1 ZINC000159128072 495666006 /nfs/dbraw/zinc/66/60/06/495666006.db2.gz PYCIBYIMWHTSMS-GOSISDBHSA-N 2 0 352.526 3.289 20 0 FGADRP CC[C@@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)c1ccc(OC)cc1 ZINC000159157740 495671427 /nfs/dbraw/zinc/67/14/27/495671427.db2.gz ZGFJWJAGFBKUPF-HXUWFJFHSA-N 2 0 354.498 3.083 20 0 FGADRP Cc1cc([C@@H](C)[NH2+]Cc2ccnc(N3CC[NH+](C)CC3)c2)cc(C)c1F ZINC000159213110 495685275 /nfs/dbraw/zinc/68/52/75/495685275.db2.gz HPZLPLVGOMHXLA-QGZVFWFLSA-N 2 0 356.489 3.440 20 0 FGADRP CN(c1ccccc1C[NH2+]C[C@@](C)(O)c1ccsc1)C1CC[NH+](C)CC1 ZINC000150977487 495700382 /nfs/dbraw/zinc/70/03/82/495700382.db2.gz ZJOVISUTERHQIE-OAQYLSRUSA-N 2 0 373.566 3.276 20 0 FGADRP CCC[NH+]1CCC(N(C)C(=O)NC[C@@H](c2ccco2)[NH+](CC)CC)CC1 ZINC000171054643 495704698 /nfs/dbraw/zinc/70/46/98/495704698.db2.gz ZRPQGQHEEAVRSS-SFHVURJKSA-N 2 0 364.534 3.178 20 0 FGADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000574545194 505798613 /nfs/dbraw/zinc/79/86/13/505798613.db2.gz KJVXWIXWLVKIOJ-UHFFFAOYSA-N 2 0 366.509 3.494 20 0 FGADRP O=C(NCCC[NH+]1CCCCC1)C1CC[NH+](CCCc2ccccc2)CC1 ZINC000159344446 495713859 /nfs/dbraw/zinc/71/38/59/495713859.db2.gz LRVLNTIEKJSZIN-UHFFFAOYSA-N 2 0 371.569 3.323 20 0 FGADRP C[C@@H](C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cc1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000182830789 495719762 /nfs/dbraw/zinc/71/97/62/495719762.db2.gz RVAGUIAKTYSWOH-KSZLIROESA-N 2 0 372.557 3.417 20 0 FGADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000176631929 495727211 /nfs/dbraw/zinc/72/72/11/495727211.db2.gz UBLRPWORVLNPFD-VQTJNVASSA-N 2 0 360.546 3.153 20 0 FGADRP C[NH+]1CCN(c2ccc(C[NH2+]Cc3ccc(C4CCC4)cc3)cn2)CC1 ZINC000568888671 505801483 /nfs/dbraw/zinc/80/14/83/505801483.db2.gz ZYCKEKHSUPIJGH-UHFFFAOYSA-N 2 0 350.510 3.391 20 0 FGADRP C[N@H+](CC[C@H]1CCCC[NH+]1C)C[C@H](O)COCc1ccccc1Cl ZINC000173951805 495760721 /nfs/dbraw/zinc/76/07/21/495760721.db2.gz AGWAWJFMOIBQAP-MSOLQXFVSA-N 2 0 354.922 3.024 20 0 FGADRP C[NH+](C)CCCN(CCC[NH+](C)C)c1ncnc2c3ccccc3oc21 ZINC000176820110 495799607 /nfs/dbraw/zinc/79/96/07/495799607.db2.gz KEULXZPWVFEGFE-UHFFFAOYSA-N 2 0 355.486 3.086 20 0 FGADRP CCCC[NH+]1CCC([NH2+]C[C@@H](O)COc2ccc3ccccc3c2)CC1 ZINC000580642404 505804504 /nfs/dbraw/zinc/80/45/04/505804504.db2.gz VUVNIQOXRZTXSH-OAQYLSRUSA-N 2 0 356.510 3.434 20 0 FGADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000171313572 495816328 /nfs/dbraw/zinc/81/63/28/495816328.db2.gz LEZWNRROFQAANP-GOSISDBHSA-N 2 0 360.546 3.012 20 0 FGADRP C[C@@H]([NH2+][C@@H](C)CN1CC[NH+](C)CC1)c1cc(Cl)ccc1OC(F)F ZINC000155076782 495827325 /nfs/dbraw/zinc/82/73/25/495827325.db2.gz GWOXPXLGJJUDPB-QWHCGFSZSA-N 2 0 361.864 3.228 20 0 FGADRP CC[C@H](C)NC(=O)[C@@H](C)[NH2+]Cc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000174156706 495841477 /nfs/dbraw/zinc/84/14/77/495841477.db2.gz APFPAXFVNYVGNN-DLBZAZTESA-N 2 0 357.498 3.304 20 0 FGADRP CC[C@H]([NH2+][C@@H](C)CN1CC[NH+](C)CC1)c1ccc(Br)cc1 ZINC000155124430 495845027 /nfs/dbraw/zinc/84/50/27/495845027.db2.gz MVPWXJVUMKLRFE-YOEHRIQHSA-N 2 0 354.336 3.126 20 0 FGADRP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]C[C@@H](C(C)C)N1CC[NH+](C)CC1)CC3 ZINC000180070111 495845575 /nfs/dbraw/zinc/84/55/75/495845575.db2.gz UIQQWECQBDYSJV-JPYJTQIMSA-N 2 0 368.569 3.195 20 0 FGADRP CC[C@@H](C(=O)Nc1ccc(OC)cc1)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000171388006 495850972 /nfs/dbraw/zinc/85/09/72/495850972.db2.gz BRRFZZWCIONMEM-FQEVSTJZSA-N 2 0 359.514 3.220 20 0 FGADRP NC(=O)c1cccc(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c1 ZINC000180103543 495860203 /nfs/dbraw/zinc/86/02/03/495860203.db2.gz KLLYGVSVRQBBMV-FRIKZZABSA-N 2 0 363.505 3.113 20 0 FGADRP C[N@@H+]1CC[C@@H](NC(=O)c2cccc(C[NH+]3CCCC3)c2)[C@@H]1c1ccccc1 ZINC000180201341 495902943 /nfs/dbraw/zinc/90/29/43/495902943.db2.gz HLVRCDYJWVQJQF-YADHBBJMSA-N 2 0 363.505 3.458 20 0 FGADRP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3cc(Cl)cc4cccnc43)C2)CC1 ZINC000171527796 495914837 /nfs/dbraw/zinc/91/48/37/495914837.db2.gz WXFORJYSKCWGJZ-IBGZPJMESA-N 2 0 358.917 3.100 20 0 FGADRP Cc1ccc(-c2n[nH]cc2C[NH2+]CC2CCN(c3cc[nH+]cc3)CC2)o1 ZINC000180276009 495933566 /nfs/dbraw/zinc/93/35/66/495933566.db2.gz NRTSHVAZDSEQQO-UHFFFAOYSA-N 2 0 351.454 3.379 20 0 FGADRP Cc1ccccc1OC[C@@H](O)C[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000174403884 495944842 /nfs/dbraw/zinc/94/48/42/495944842.db2.gz HHSUVVLCBFRJKE-VXKWHMMOSA-N 2 0 368.521 3.189 20 0 FGADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]CCc1c(C)nc2ccccn2c1=O ZINC000577903884 505815345 /nfs/dbraw/zinc/81/53/45/505815345.db2.gz PUQAMGOBWWUPNI-ICSRJNTNSA-N 2 0 370.541 3.036 20 0 FGADRP C[C@@H](CN1CCCCC1)[NH2+]C1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000151873462 495977111 /nfs/dbraw/zinc/97/71/11/495977111.db2.gz VWVUOHSGZRTTTJ-INIZCTEOSA-N 2 0 363.933 3.409 20 0 FGADRP CCC[N@@H+]1CC[C@H](CNC(=O)NC(C)(C)CC[NH+]2CCCCCC2)C1 ZINC000186410977 495988404 /nfs/dbraw/zinc/98/84/04/495988404.db2.gz FVBWUUIGJXDNHO-GOSISDBHSA-N 2 0 352.567 3.062 20 0 FGADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H]2CCCOc3ccc(Cl)cc32)CC1 ZINC000155571144 495998041 /nfs/dbraw/zinc/99/80/41/495998041.db2.gz ZKWBRZZSPDYBHR-MAUKXSAKSA-N 2 0 351.922 3.169 20 0 FGADRP C[C@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)c1ccccc1Cl ZINC000177353453 496029224 /nfs/dbraw/zinc/02/92/24/496029224.db2.gz XQNRKJQCERAGAC-HNNXBMFYSA-N 2 0 359.901 3.482 20 0 FGADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H](C)c2sc(C(C)(C)C)nc2C)CC1 ZINC000155696156 496038108 /nfs/dbraw/zinc/03/81/08/496038108.db2.gz QYVMZLFVNRAQBV-LSDHHAIUSA-N 2 0 352.592 3.426 20 0 FGADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H](C)c2ccc(SC)c(OC)c2)CC1 ZINC000155697651 496039274 /nfs/dbraw/zinc/03/92/74/496039274.db2.gz MEFGJNAADCUKAN-HZPDHXFCSA-N 2 0 351.560 3.094 20 0 FGADRP CN(CC[N@H+](C)Cc1cccc(OCC(F)(F)F)c1)C1CC[NH+](C)CC1 ZINC000177381397 496039439 /nfs/dbraw/zinc/03/94/39/496039439.db2.gz NDOURCLAHQGSCB-UHFFFAOYSA-N 2 0 373.463 3.086 20 0 FGADRP C[C@H]1C[C@@H](CCNC(=O)c2ccccc2CC[NH3+])C[N@@H+]1Cc1ccccc1 ZINC000571815025 505819967 /nfs/dbraw/zinc/81/99/67/505819967.db2.gz OUNRGADKHVGYDF-AZUAARDMSA-N 2 0 365.521 3.218 20 0 FGADRP Cc1nc(-c2cccnc2)sc1[C@@H](C)[NH2+][C@H](C)CCN1CC[NH+](C)CC1 ZINC000186565968 496048883 /nfs/dbraw/zinc/04/88/83/496048883.db2.gz NCJKYKIXQFLFMC-HZPDHXFCSA-N 2 0 373.570 3.190 20 0 FGADRP C[C@@H]1C[NH+](CCC2CC[NH+](CCCOCC(F)(F)F)CC2)C[C@@H](C)O1 ZINC000177484543 496080414 /nfs/dbraw/zinc/08/04/14/496080414.db2.gz HODXWCPDTWYFAU-HZPDHXFCSA-N 2 0 366.468 3.167 20 0 FGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCCn2c(C)nc3ccccc32)[C@H](C)C1 ZINC000155860775 496091182 /nfs/dbraw/zinc/09/11/82/496091182.db2.gz ZPZMUTRPXNUPBH-UYAOXDASSA-N 2 0 372.557 3.461 20 0 FGADRP CC(C)OCC[C@H](O)C[NH2+]Cc1ccccc1C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000577947569 505825437 /nfs/dbraw/zinc/82/54/37/505825437.db2.gz LHROGDBBMWZCCE-KNKQGSTJSA-N 2 0 362.558 3.430 20 0 FGADRP C[C@H]([NH2+]C(C)(C)CNC(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccccc1 ZINC000174890700 496151016 /nfs/dbraw/zinc/15/10/16/496151016.db2.gz CYEDSAQDAFPJQG-JENIJYKNSA-N 2 0 360.546 3.240 20 0 FGADRP CC[N@H+](C)Cc1cccc(CNC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)c1 ZINC000177690387 496160552 /nfs/dbraw/zinc/16/05/52/496160552.db2.gz WVCRETSYXMAUCB-HXUWFJFHSA-N 2 0 357.542 3.409 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)c1ccco1 ZINC000177699685 496164106 /nfs/dbraw/zinc/16/41/06/496164106.db2.gz LDYJNBQKFQEBPW-IEBWSBKVSA-N 2 0 361.530 3.433 20 0 FGADRP CC[N@H+](C)C[C@H]1CC[NH+](C[C@H](O)CO[C@@H](C)c2ccc(Cl)cc2)C1 ZINC000177838911 496217673 /nfs/dbraw/zinc/21/76/73/496217673.db2.gz WYBSBHFMISDPEV-FCEWJHQRSA-N 2 0 354.922 3.052 20 0 FGADRP CC[NH+]1CCN(c2ccc(C[NH2+]Cc3cccn3CCC(C)C)cn2)CC1 ZINC000161671467 496219845 /nfs/dbraw/zinc/21/98/45/496219845.db2.gz HSZOZMRXMOIRQQ-UHFFFAOYSA-N 2 0 369.557 3.361 20 0 FGADRP CC[NH+](CC)Cc1cccc(CNC(=O)N2CC[C@H](C[N@@H+](C)CC)C2)c1 ZINC000177850271 496222473 /nfs/dbraw/zinc/22/24/73/496222473.db2.gz WSUYYVOSIWVLQB-HXUWFJFHSA-N 2 0 360.546 3.012 20 0 FGADRP COC(=O)COc1c(C)cc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)cc1C ZINC000152694402 496228618 /nfs/dbraw/zinc/22/86/18/496228618.db2.gz CJQPHSLLTXOEKJ-UHFFFAOYSA-N 2 0 374.525 3.163 20 0 FGADRP CC[N@H+](C)C[C@H]1CCN(C(=O)NCC(C)(C)[NH2+][C@@H](C)c2ccccc2)C1 ZINC000177877122 496235127 /nfs/dbraw/zinc/23/51/27/496235127.db2.gz XMJLPUOTAWLATB-ZWKOTPCHSA-N 2 0 360.546 3.099 20 0 FGADRP C[C@H]1C[C@@H]([NH2+]Cc2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CN1C1CC1 ZINC000177890355 496241242 /nfs/dbraw/zinc/24/12/42/496241242.db2.gz NRMVLSFBDFHKAX-LXGFNABISA-N 2 0 357.542 3.011 20 0 FGADRP CC[NH+]1CCN(Cc2ccc(C[NH2+][C@@H](C)C3CCSCC3)cc2)CC1 ZINC000187016771 496253242 /nfs/dbraw/zinc/25/32/42/496253242.db2.gz MHWUJNBAHWNMSE-SFHVURJKSA-N 2 0 361.599 3.445 20 0 FGADRP Cc1nc(C)c([C@H](C)[NH2+]CC2(N3CCCCC3)CC[NH+](C)CC2)s1 ZINC000177983169 496275890 /nfs/dbraw/zinc/27/58/90/496275890.db2.gz INUKSKJOOPITNV-HNNXBMFYSA-N 2 0 350.576 3.361 20 0 FGADRP CCS(=O)(=O)c1c(Cl)cccc1CNCCC[N@@H+]1CCCC[C@@H]1C ZINC000187101341 496293108 /nfs/dbraw/zinc/29/31/08/496293108.db2.gz SBEHFAQMKVKFCF-HNNXBMFYSA-N 2 0 372.962 3.488 20 0 FGADRP [NH3+]CC1(CC(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)CCCCC1 ZINC000184222476 496293496 /nfs/dbraw/zinc/29/34/96/496293496.db2.gz BFGHCWXJQCARMX-UHFFFAOYSA-N 2 0 361.505 3.206 20 0 FGADRP C[C@@H]1C[C@@H](NC(=O)CC2(C[NH3+])CCCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000184233695 496297589 /nfs/dbraw/zinc/29/75/89/496297589.db2.gz FCLZUHWALUWPDL-QUCCMNQESA-N 2 0 357.542 3.455 20 0 FGADRP CN(C(=O)N[C@H]1C=CCCC1)[C@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000162165942 496306374 /nfs/dbraw/zinc/30/63/74/496306374.db2.gz YODBXIGHMMZSGK-SXLOBPIMSA-N 2 0 362.562 3.074 20 0 FGADRP C[C@@H]([NH2+]Cc1ccc(OCC[NH+](C)C)cc1)c1ccc([S@](C)=O)cc1 ZINC000162514327 496365947 /nfs/dbraw/zinc/36/59/47/496365947.db2.gz AHBCBFWEIQQXSR-PUAOIOHZSA-N 2 0 360.523 3.215 20 0 FGADRP Cc1ccccc1C[NH+]1CCC(NC(=O)C[NH2+][C@H](C)c2ccccc2)CC1 ZINC000181376074 496372088 /nfs/dbraw/zinc/37/20/88/496372088.db2.gz DHRMCRHMTIPRFQ-LJQANCHMSA-N 2 0 365.521 3.426 20 0 FGADRP C[C@H]([NH2+]Cc1cccc(OCC[NH+](C)C)c1)c1ccc(-n2cncn2)cc1 ZINC000162597208 496380228 /nfs/dbraw/zinc/38/02/28/496380228.db2.gz DPBUOKKPCWKMJI-KRWDZBQOSA-N 2 0 365.481 3.059 20 0 FGADRP CC[S@](=O)[C@@H]1CCC[C@H]([NH2+][C@@H](C)c2ccc(OCC[NH+](C)C)cc2)C1 ZINC000162812627 496416816 /nfs/dbraw/zinc/41/68/16/496416816.db2.gz OOPWEFKEQGJZKG-CGSFFBPTSA-N 2 0 366.571 3.357 20 0 FGADRP CC[S@@](=O)[C@@H]1CCC[C@H]([NH2+][C@@H](C)c2ccc(OCC[NH+](C)C)cc2)C1 ZINC000162812524 496417031 /nfs/dbraw/zinc/41/70/31/496417031.db2.gz OOPWEFKEQGJZKG-KRBQOJCGSA-N 2 0 366.571 3.357 20 0 FGADRP CCO[C@@H]1C[C@@H]([NH2+]CCCC[NH+]2CCN(CC)CC2)C12CCCCC2 ZINC000181493628 496418363 /nfs/dbraw/zinc/41/83/63/496418363.db2.gz UKLKEPALCIUXRW-WOJBJXKFSA-N 2 0 351.579 3.122 20 0 FGADRP C[NH+](C)CCN(CC1CCCCC1)C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000157192731 496425330 /nfs/dbraw/zinc/42/53/30/496425330.db2.gz LASUIVIVIZBOPB-UHFFFAOYSA-N 2 0 366.594 3.403 20 0 FGADRP CCO[C@H]1C[C@@H]([NH2+]Cc2cccnc2N2CC[NH+](C)CC2)C12CCCCC2 ZINC000181592064 496460364 /nfs/dbraw/zinc/46/03/64/496460364.db2.gz ZJOUAJKPTFNFQG-UXHICEINSA-N 2 0 372.557 3.051 20 0 FGADRP COC[C@H](Cc1ccccc1)[NH2+]Cc1cccc(CN2CCO[C@@H](C)C2)c1 ZINC000153482365 496470610 /nfs/dbraw/zinc/47/06/10/496470610.db2.gz RFXWXPOANSVHHF-CVDCTZTESA-N 2 0 368.521 3.255 20 0 FGADRP CC(C)[NH2+]C1CCN(C(=O)NCC[C@H](C)[N@H+](C)Cc2ccccc2)CC1 ZINC000175641089 496479152 /nfs/dbraw/zinc/47/91/52/496479152.db2.gz RDIUVIBLRKWSBN-SFHVURJKSA-N 2 0 360.546 3.069 20 0 FGADRP CC(C)N(CC[NH+](C)C)C(=O)NCc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000157456107 496480019 /nfs/dbraw/zinc/48/00/19/496480019.db2.gz HUXCRBHOOCQDMA-IBGZPJMESA-N 2 0 374.573 3.400 20 0 FGADRP C[C@H](CNC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1)C[NH+]1CCCC1 ZINC000184675089 496488860 /nfs/dbraw/zinc/48/88/60/496488860.db2.gz WBRSKBCBUKWIIE-LJQANCHMSA-N 2 0 357.542 3.137 20 0 FGADRP CCc1cccc(C)c1NC(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@H+]1CC ZINC000157632310 496519152 /nfs/dbraw/zinc/51/91/52/496519152.db2.gz NDDLCJSNQLDUDD-IBGZPJMESA-N 2 0 360.546 3.437 20 0 FGADRP C[C@H]([NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1)c1cc(F)cc(F)c1 ZINC000163522794 496526534 /nfs/dbraw/zinc/52/65/34/496526534.db2.gz DCXNGUFRSNVGSY-AWEZNQCLSA-N 2 0 367.484 3.242 20 0 FGADRP CC[NH+](CC)Cc1cccc(CNC(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)c1 ZINC000175749509 496528488 /nfs/dbraw/zinc/52/84/88/496528488.db2.gz UDKLJWMBJZJHMM-PMACEKPBSA-N 2 0 360.546 3.200 20 0 FGADRP CC(C)CC[NH+]1CCC(C[NH2+][C@@H](C)Cn2cc(Br)cn2)CC1 ZINC000163586031 496535162 /nfs/dbraw/zinc/53/51/62/496535162.db2.gz NVMVEFKLSOGZTQ-HNNXBMFYSA-N 2 0 371.367 3.382 20 0 FGADRP C[NH+](C)CC[C@@H](NC(=O)NC1CC[NH+](C2CCCC2)CC1)C(C)(C)C ZINC000175772856 496539978 /nfs/dbraw/zinc/53/99/78/496539978.db2.gz XLUXKLKZCVRUPR-GOSISDBHSA-N 2 0 352.567 3.059 20 0 FGADRP CCC[N@H+](CC)CCNC(=O)N(C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000175781843 496543534 /nfs/dbraw/zinc/54/35/34/496543534.db2.gz YQNWSCWHFIRWGE-TZIWHRDSSA-N 2 0 374.573 3.413 20 0 FGADRP COc1ccc([C@@H](C)[NH2+]C[C@@H](C)Cn2ccnc2C)cc1Cn1cccn1 ZINC000178704895 496545589 /nfs/dbraw/zinc/54/55/89/496545589.db2.gz XFPPTUUOAKAOHX-IAGOWNOFSA-N 2 0 367.497 3.432 20 0 FGADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N2CCC(CCC[NH+](C)C)CC2)C1 ZINC000163697143 496548771 /nfs/dbraw/zinc/54/87/71/496548771.db2.gz PYORJQGAYGRWQG-HXUWFJFHSA-N 2 0 366.594 3.118 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc2[nH]ccc2c1 ZINC000175844369 496569553 /nfs/dbraw/zinc/56/95/53/496569553.db2.gz RGJQUANJEHMMMG-SFHVURJKSA-N 2 0 357.502 3.048 20 0 FGADRP CCO[C@H]1C[C@H]([NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)C12CCC2 ZINC000181860879 496575552 /nfs/dbraw/zinc/57/55/52/496575552.db2.gz ULNUZORTSUNDBW-SFTDATJTSA-N 2 0 358.526 3.081 20 0 FGADRP CC[NH+](CC)[C@H]1CCN(C(=O)NCC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000175920687 496603386 /nfs/dbraw/zinc/60/33/86/496603386.db2.gz HYALSHTWMSQYIX-NRFANRHFSA-N 2 0 372.557 3.024 20 0 FGADRP CC[NH+](CC)CCOc1ccccc1NC(=O)C[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000164322717 496603938 /nfs/dbraw/zinc/60/39/38/496603938.db2.gz DIPICVUBOZPPRE-QZTJIDSGSA-N 2 0 361.530 3.372 20 0 FGADRP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)NCc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000574784000 505855127 /nfs/dbraw/zinc/85/51/27/505855127.db2.gz JEXPZOFPTFCKIC-HCXYKTFWSA-N 2 0 372.557 3.043 20 0 FGADRP C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000164603185 496622383 /nfs/dbraw/zinc/62/23/83/496622383.db2.gz AQCBGBICVKFFNM-GCJKJVERSA-N 2 0 365.521 3.105 20 0 FGADRP Cc1ccc(S(=O)(=O)C[C@H](C)[NH2+]CCCC[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000185034022 496630116 /nfs/dbraw/zinc/63/01/16/496630116.db2.gz PHAFUTZSPNYINX-OALUTQOASA-N 2 0 366.571 3.401 20 0 FGADRP C[C@@H]([NH2+]CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)c1cccc(Cl)c1 ZINC000182012608 496633951 /nfs/dbraw/zinc/63/39/51/496633951.db2.gz VXNADBSVYPCJAX-BEFAXECRSA-N 2 0 359.901 3.410 20 0 FGADRP C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000158134758 496634870 /nfs/dbraw/zinc/63/48/70/496634870.db2.gz ULIMMLGCRQCRSK-UONOGXRCSA-N 2 0 357.420 3.354 20 0 FGADRP C[C@H]1C[NH+](CCCC[NH2+]Cc2ccc(OC(F)F)c(F)c2)C[C@H](C)O1 ZINC000178992826 496638827 /nfs/dbraw/zinc/63/88/27/496638827.db2.gz UHQUBVHLTHXQIA-KBPBESRZSA-N 2 0 360.420 3.406 20 0 FGADRP C[C@@H]1C[NH+](CCCC[NH2+]Cc2ccc(OC(F)F)c(F)c2)C[C@@H](C)O1 ZINC000178992834 496639338 /nfs/dbraw/zinc/63/93/38/496639338.db2.gz UHQUBVHLTHXQIA-ZIAGYGMSSA-N 2 0 360.420 3.406 20 0 FGADRP C[C@H]([NH2+]CCC(=O)Nc1ccccc1)c1cccc(OCC[NH+](C)C)c1 ZINC000164970332 496641619 /nfs/dbraw/zinc/64/16/19/496641619.db2.gz AJZNGKQXBDZLEC-KRWDZBQOSA-N 2 0 355.482 3.306 20 0 FGADRP CCC[C@H]([NH2+]Cc1ccc(CN2CC[NH+](C)CC2)cc1)c1cccnc1 ZINC000185084650 496652632 /nfs/dbraw/zinc/65/26/32/496652632.db2.gz BKVLTKMWLAPKIZ-QFIPXVFZSA-N 2 0 352.526 3.460 20 0 FGADRP C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000158231788 496656214 /nfs/dbraw/zinc/65/62/14/496656214.db2.gz JVSOLXFYFNBWEB-UONOGXRCSA-N 2 0 368.319 3.098 20 0 FGADRP C[C@@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000158236978 496656975 /nfs/dbraw/zinc/65/69/75/496656975.db2.gz OWCMPOMMEAVNPY-UONOGXRCSA-N 2 0 373.419 3.234 20 0 FGADRP C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)c2coc(C[NH3+])c2)C1 ZINC000188068553 496669952 /nfs/dbraw/zinc/66/99/52/496669952.db2.gz HBCUYULQKQPEFE-HOTGVXAUSA-N 2 0 355.482 3.146 20 0 FGADRP CC1(C)[C@H]([NH2+]CCc2ccc(OCC[NH+]3CCCC3)cc2)[C@H]2CCCO[C@@H]21 ZINC000182110242 496672499 /nfs/dbraw/zinc/67/24/99/496672499.db2.gz IXSPJWNRIUFYGE-VSKRKVRLSA-N 2 0 372.553 3.497 20 0 FGADRP CN(c1ccccc1C[N@H+](CCO)Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000158322350 496676613 /nfs/dbraw/zinc/67/66/13/496676613.db2.gz GLSNCWGJRBIJRJ-UHFFFAOYSA-N 2 0 367.537 3.212 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1)c1ccccc1 ZINC000173414077 496682209 /nfs/dbraw/zinc/68/22/09/496682209.db2.gz XWQOPLREEPZNLB-HOJAQTOUSA-N 2 0 360.546 3.194 20 0 FGADRP C[C@H]1C[C@@H](N(C)C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)CC[N@@H+]1C ZINC000173416667 496684169 /nfs/dbraw/zinc/68/41/69/496684169.db2.gz BTWJFCHXTIWBPA-ULQDDVLXSA-N 2 0 364.559 3.009 20 0 FGADRP C[NH+](C)[C@@H](CNC(=O)NC1CC[NH+](C2CCCCC2)CC1)c1ccccc1 ZINC000176138605 496700049 /nfs/dbraw/zinc/70/00/49/496700049.db2.gz YSRAPUBIRKSYHO-NRFANRHFSA-N 2 0 372.557 3.386 20 0 FGADRP COc1ccc([C@H](C)[NH2+]Cc2cccnc2N2CC[NH+](C)CC2)cc1Cl ZINC000158461974 496706525 /nfs/dbraw/zinc/70/65/25/496706525.db2.gz SFEDJBAUVFGEOX-HNNXBMFYSA-N 2 0 374.916 3.346 20 0 FGADRP C[C@@H]([NH2+][C@@H]1CCN(c2ncccc2F)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000168118982 496708260 /nfs/dbraw/zinc/70/82/60/496708260.db2.gz RPOMZDQRAWRVLF-SJLPKXTDSA-N 2 0 372.488 3.091 20 0 FGADRP CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)[C@@H]1CCCCCC[C@@H]1[NH3+] ZINC000574813937 505861294 /nfs/dbraw/zinc/86/12/94/505861294.db2.gz RNLYHGHEGDAFOV-RTWAWAEBSA-N 2 0 372.557 3.444 20 0 FGADRP CC[NH+](CC)Cc1ccc(CNC(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)cc1 ZINC000182252997 496720736 /nfs/dbraw/zinc/72/07/36/496720736.db2.gz FFPPJENXBFMHGQ-NHCUHLMSSA-N 2 0 372.557 3.154 20 0 FGADRP COc1ccc2c(c1)[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)CC2 ZINC000182257739 496721428 /nfs/dbraw/zinc/72/14/28/496721428.db2.gz YCYINRHXEIOXJY-SIKLNZKXSA-N 2 0 352.478 3.039 20 0 FGADRP O[C@H]1CC[N@H+](Cc2ccccc2C[NH2+][C@@H]2CCCOc3cc(F)ccc32)C1 ZINC000182269177 496723694 /nfs/dbraw/zinc/72/36/94/496723694.db2.gz DIUJRIKQWGBJKM-PZJWPPBQSA-N 2 0 370.468 3.396 20 0 FGADRP O[C@H]1CC[N@H+](Cc2ccccc2C[NH2+][C@@H]2CCCOc3ccc(F)cc32)C1 ZINC000182268933 496723772 /nfs/dbraw/zinc/72/37/72/496723772.db2.gz LZJMDRHEWIJPOT-PZJWPPBQSA-N 2 0 370.468 3.396 20 0 FGADRP CC[NH+]1CCN(Cc2ccccc2C[NH2+][C@H](C)c2cccc(O)c2)CC1 ZINC000194853983 496736169 /nfs/dbraw/zinc/73/61/69/496736169.db2.gz YFAPQWVKVMZNNB-GOSISDBHSA-N 2 0 353.510 3.381 20 0 FGADRP O[C@H](COc1ccc(Cl)cc1)C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000247061335 496766932 /nfs/dbraw/zinc/76/69/32/496766932.db2.gz ZTLADUYNOBCCCD-ZAAXVRCTSA-N 2 0 364.917 3.028 20 0 FGADRP C[C@H](C(=O)Nc1ccc(OC(F)F)cc1)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000247123160 496785986 /nfs/dbraw/zinc/78/59/86/496785986.db2.gz AMTCPVIPTWDBMB-KEYYUXOJSA-N 2 0 367.440 3.031 20 0 FGADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1ccc(Br)cc1F ZINC000188485404 496806483 /nfs/dbraw/zinc/80/64/83/496806483.db2.gz ZUTSVMDOBPZMMN-KBPBESRZSA-N 2 0 372.326 3.265 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(Cl)cc1 ZINC000195118549 496825504 /nfs/dbraw/zinc/82/55/04/496825504.db2.gz OBSUBPBTDNNBMO-KRWDZBQOSA-N 2 0 352.910 3.220 20 0 FGADRP C[C@@H]([NH2+]C[C@@H](CCO)c1ccccc1)c1cccc(OCC[NH+](C)C)c1 ZINC000268993715 496844741 /nfs/dbraw/zinc/84/47/41/496844741.db2.gz NELJUZCSCDWSAD-WIYYLYMNSA-N 2 0 356.510 3.444 20 0 FGADRP Cc1nc(-c2ccccc2F)sc1[C@@H](C)[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000269003486 496845995 /nfs/dbraw/zinc/84/59/95/496845995.db2.gz PWBROGLBLIUSEH-CYBMUJFWSA-N 2 0 363.502 3.365 20 0 FGADRP C[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1)C1CCCCC1 ZINC000247373065 496847430 /nfs/dbraw/zinc/84/74/30/496847430.db2.gz SGNXHKRUPLUBDP-DYESRHJHSA-N 2 0 357.542 3.442 20 0 FGADRP C[C@@H](C[NH2+][C@@H](Cc1ccccc1F)c1ccccc1)N1CC[NH+](C)CC1 ZINC000191722972 496867860 /nfs/dbraw/zinc/86/78/60/496867860.db2.gz DRLIOBAQUDYCFT-AVRDEDQJSA-N 2 0 355.501 3.335 20 0 FGADRP C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000269111487 496873737 /nfs/dbraw/zinc/87/37/37/496873737.db2.gz IYKUHFKQBFOMIB-NHCUHLMSSA-N 2 0 355.526 3.229 20 0 FGADRP OCC[C@@H]1CCCC[NH+]1Cc1ccccc1C[N@H+]1CCCC[C@H]1CCO ZINC000247735370 496910439 /nfs/dbraw/zinc/91/04/39/496910439.db2.gz VPKUJKDCPNBYPV-VXKWHMMOSA-N 2 0 360.542 3.160 20 0 FGADRP Cc1ccc(C[NH2+]Cc2ccc(C(=O)NCC[NH+](C)C)cc2)cc1Cl ZINC000195443904 496923904 /nfs/dbraw/zinc/92/39/04/496923904.db2.gz MOXOAOYLQAOSFR-UHFFFAOYSA-N 2 0 359.901 3.230 20 0 FGADRP COc1ccc(Cl)cc1NC(=O)CC[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000248001931 496941018 /nfs/dbraw/zinc/94/10/18/496941018.db2.gz KLSPSKTUWYULIT-RHSMWYFYSA-N 2 0 365.905 3.093 20 0 FGADRP CC(C)CNC(=O)[C@@H](C)[NH2+]Cc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000195538739 496950004 /nfs/dbraw/zinc/95/00/04/496950004.db2.gz KTPKCJXZWBYFNA-CEXWTWQISA-N 2 0 359.558 3.415 20 0 FGADRP Cc1c([C@H](C)[NH2+]CCCC[N@@H+]2CCC[C@H]2CO)cnn1-c1ccc(F)cc1 ZINC000248149349 496963864 /nfs/dbraw/zinc/96/38/64/496963864.db2.gz QNXSPFKGLLDJDH-JXFKEZNVSA-N 2 0 374.504 3.207 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@H](C)[C@@H]2CCC[NH+](C3CCC3)C2)[C@H](C)C1 ZINC000248400457 496997205 /nfs/dbraw/zinc/99/72/05/496997205.db2.gz KUIQZUSEHQDCFX-MLYOOKFZSA-N 2 0 364.578 3.011 20 0 FGADRP CC(C)C(=O)NCCC[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000248407628 496999736 /nfs/dbraw/zinc/99/97/36/496999736.db2.gz UNJUPVGWFATFQQ-NJDAHSKKSA-N 2 0 357.542 3.039 20 0 FGADRP Cc1nc2c(s1)[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1)CCC2 ZINC000248433634 497010304 /nfs/dbraw/zinc/01/03/04/497010304.db2.gz DITZSQBXVNUZME-QZTJIDSGSA-N 2 0 357.523 3.185 20 0 FGADRP O[C@@H]1CC[N@H+](Cc2ccccc2C[NH2+][C@H]2CSCCc3ccccc32)C1 ZINC000248461022 497020237 /nfs/dbraw/zinc/02/02/37/497020237.db2.gz XCLNYNYZRHUAKE-IRLDBZIGSA-N 2 0 368.546 3.373 20 0 FGADRP C[N@H+](C[C@@H](O)CCc1ccccc1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000248540093 497034412 /nfs/dbraw/zinc/03/44/12/497034412.db2.gz BBQSCWIRYJGDOM-PKTZIBPZSA-N 2 0 352.522 3.434 20 0 FGADRP COc1ccccc1[C@@H](CNC(=O)c1ccc([C@@H](C)[NH3+])cc1)[NH+]1CCCC1 ZINC000569216549 505880942 /nfs/dbraw/zinc/88/09/42/505880942.db2.gz LXNMMWYOPDFGGZ-OXQOHEQNSA-N 2 0 367.493 3.282 20 0 FGADRP C[C@H]([NH2+]C[C@@H](O)COc1cccc2[nH]ccc21)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248585289 497048362 /nfs/dbraw/zinc/04/83/62/497048362.db2.gz PWGWUPIOVBYTFS-YQVWRLOYSA-N 2 0 371.525 3.150 20 0 FGADRP c1cc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)cc(OC2CCOCC2)n1 ZINC000574910993 505881591 /nfs/dbraw/zinc/88/15/91/505881591.db2.gz KNVUNWKUCIMRFP-HSALFYBXSA-N 2 0 359.514 3.040 20 0 FGADRP Cc1c([C@H](C)[NH2+]CCCC[NH+]2C[C@H](C)O[C@@H](C)C2)cnn1C(C)(C)C ZINC000248684295 497079320 /nfs/dbraw/zinc/07/93/20/497079320.db2.gz FUROKOXQMWVRIV-ULQDDVLXSA-N 2 0 350.551 3.487 20 0 FGADRP COc1ccccc1-c1nc(C2CC[NH+](CC[C@@H]3CCC[N@@H+]3C)CC2)no1 ZINC000192340224 497079462 /nfs/dbraw/zinc/07/94/62/497079462.db2.gz OHMSAEGNZHSYJO-KRWDZBQOSA-N 2 0 370.497 3.409 20 0 FGADRP C[NH+](C)CCCNCc1ccc(OC(F)(F)F)c(Br)c1 ZINC000229684982 497098646 /nfs/dbraw/zinc/09/86/46/497098646.db2.gz FOCRAVIUSMFJSY-UHFFFAOYSA-N 2 0 355.198 3.389 20 0 FGADRP COC(=O)C1CCC([NH2+]Cc2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)CC1 ZINC000192438561 497114896 /nfs/dbraw/zinc/11/48/96/497114896.db2.gz RWGGICLSIKZNOQ-FBIZOPLVSA-N 2 0 374.525 3.117 20 0 FGADRP CN1CC[NH+](CC2CC[NH+](Cc3ccc(OC(F)(F)F)cc3)CC2)CC1 ZINC000265424176 497117101 /nfs/dbraw/zinc/11/71/01/497117101.db2.gz KDZCDYJJPYQLAL-UHFFFAOYSA-N 2 0 371.447 3.045 20 0 FGADRP COC(=O)C1CCC([NH2+]CCc2ccc(OCC[NH+]3CCCC3)cc2)CC1 ZINC000192446357 497117630 /nfs/dbraw/zinc/11/76/30/497117630.db2.gz VAMLXSIGJVYQBM-UHFFFAOYSA-N 2 0 374.525 3.025 20 0 FGADRP C[C@@H](CC[NH2+]C[C@@H](O)COCc1ccccc1Cl)[NH+]1CCCCC1 ZINC000569233010 505885670 /nfs/dbraw/zinc/88/56/70/505885670.db2.gz RWWZRIDDDVGKAQ-FUHWJXTLSA-N 2 0 354.922 3.072 20 0 FGADRP CC1CC[NH+](Cc2cccc(CNC(=O)[C@H](C[NH3+])c3ccccc3)c2)CC1 ZINC000236639360 497125355 /nfs/dbraw/zinc/12/53/55/497125355.db2.gz ZJVJPZXEJIVZEM-JOCHJYFZSA-N 2 0 365.521 3.277 20 0 FGADRP CC1CC[NH+]([C@H](CNC(=O)CCC2CC[NH2+]CC2)c2ccccc2)CC1 ZINC000236659427 497128717 /nfs/dbraw/zinc/12/87/17/497128717.db2.gz IBHQMWVKZAIPMC-OAQYLSRUSA-N 2 0 357.542 3.356 20 0 FGADRP OC1CC[NH+](CCC[NH2+]CCCCc2cccc(C(F)(F)F)c2)CC1 ZINC000192499896 497133173 /nfs/dbraw/zinc/13/31/73/497133173.db2.gz YCPMPABLGJTVHR-UHFFFAOYSA-N 2 0 358.448 3.465 20 0 FGADRP CCC([NH3+])(CC)CNC(=O)[C@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000236800640 497147420 /nfs/dbraw/zinc/14/74/20/497147420.db2.gz ANQPZCJLAPSWDM-SFHVURJKSA-N 2 0 371.447 3.075 20 0 FGADRP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)CCC1CC[NH2+]CC1 ZINC000236894841 497164748 /nfs/dbraw/zinc/16/47/48/497164748.db2.gz NOVDXXITVIJSNI-OAQYLSRUSA-N 2 0 357.542 3.137 20 0 FGADRP CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)CCC1CC[NH2+]CC1 ZINC000236897707 497165330 /nfs/dbraw/zinc/16/53/30/497165330.db2.gz OYTDPRFCGFWKIT-UHFFFAOYSA-N 2 0 371.529 3.096 20 0 FGADRP COC(=O)C1CCC([NH2+]C[C@H]2CCCN(C)[C@@H]2c2cccs2)CC1 ZINC000249107332 497167325 /nfs/dbraw/zinc/16/73/25/497167325.db2.gz VNWVSBRZJRFMIS-CSKOPFHVSA-N 2 0 350.528 3.452 20 0 FGADRP CCN(C(=O)NC[C@H](C)C[NH+]1CCCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000249299962 497190320 /nfs/dbraw/zinc/19/03/20/497190320.db2.gz NZQWBIITBPLXBR-PZJWPPBQSA-N 2 0 372.557 3.024 20 0 FGADRP COc1cccc2c1CCC[C@H]2[NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000249581610 497224220 /nfs/dbraw/zinc/22/42/20/497224220.db2.gz NMFIGQMFXOCXHU-DENIHFKCSA-N 2 0 366.505 3.429 20 0 FGADRP CN(C)C(=O)[C@@H]1CCC[C@@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000278871400 497249306 /nfs/dbraw/zinc/24/93/06/497249306.db2.gz WZQXWRZQCVGUDI-CSEOROSGSA-N 2 0 369.553 3.419 20 0 FGADRP COc1cc2[nH]c(CCC[NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4C)cc2c(OC)c1 ZINC000192942836 497253180 /nfs/dbraw/zinc/25/31/80/497253180.db2.gz CWEQRXYBMFDMAA-ALOPSCKCSA-N 2 0 357.498 3.333 20 0 FGADRP C[C@@H](CCNC(=O)CC[C@H]([NH3+])c1ccccc1)[N@H+](C)Cc1ccccc1 ZINC000237559684 497255738 /nfs/dbraw/zinc/25/57/38/497255738.db2.gz XAIRAYXSWWRYGA-RXVVDRJESA-N 2 0 353.510 3.493 20 0 FGADRP C[C@H](CC(=O)N1CC[N@H+](Cc2ccccc2)C(C)(C)C1)C1CC[NH2+]CC1 ZINC000237568069 497257293 /nfs/dbraw/zinc/25/72/93/497257293.db2.gz VLVNMARITNZPMH-GOSISDBHSA-N 2 0 357.542 3.135 20 0 FGADRP C[C@](CO)([NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1)c1ccccc1 ZINC000237635787 497266772 /nfs/dbraw/zinc/26/67/72/497266772.db2.gz HCUMFYLZOPKHOP-JOCHJYFZSA-N 2 0 354.494 3.159 20 0 FGADRP CC(C)[NH+]1CCN(CCC[NH2+][C@@H](C[C@@H]2CCOC2)c2ccccc2)CC1 ZINC000193003812 497271659 /nfs/dbraw/zinc/27/16/59/497271659.db2.gz SNFOOXQEXCTZDJ-UNMCSNQZSA-N 2 0 359.558 3.160 20 0 FGADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1N(C)C(=O)CCC1CC[NH2+]CC1 ZINC000237678429 497275105 /nfs/dbraw/zinc/27/51/05/497275105.db2.gz KCMRRUKLJLUGIA-RXVVDRJESA-N 2 0 357.542 3.135 20 0 FGADRP CCOc1ccc([C@H](C)NC(=O)CCC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC000193017844 497276093 /nfs/dbraw/zinc/27/60/93/497276093.db2.gz ALNAFVPZMBTKQW-OHSMVPPVSA-N 2 0 373.541 3.258 20 0 FGADRP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)NC[C@@]1(C)CCC[NH+]1Cc1ccccc1 ZINC000252007103 497294145 /nfs/dbraw/zinc/29/41/45/497294145.db2.gz XWVMPXZMLUZFNB-KAGYGMCKSA-N 2 0 372.557 3.023 20 0 FGADRP [NH3+]C[C@H](C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1)c1ccccc1 ZINC000237826055 497296984 /nfs/dbraw/zinc/29/69/84/497296984.db2.gz GRUORNOATDBNMR-QFIPXVFZSA-N 2 0 365.521 3.421 20 0 FGADRP [NH3+][C@@H](CCC(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1)c1ccccc1 ZINC000237945833 497318188 /nfs/dbraw/zinc/31/81/88/497318188.db2.gz NMUBLWLVHHKKFB-SFTDATJTSA-N 2 0 351.494 3.420 20 0 FGADRP C[NH+](C)CCOc1ccccc1C[NH2+]Cc1ccnn1-c1ccccc1 ZINC000279070497 497324086 /nfs/dbraw/zinc/32/40/86/497324086.db2.gz GCAKWGXDRZTBDO-UHFFFAOYSA-N 2 0 350.466 3.103 20 0 FGADRP O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000238055180 497334043 /nfs/dbraw/zinc/33/40/43/497334043.db2.gz IGXKPOVSHQSWSS-HKBOAZHASA-N 2 0 355.526 3.209 20 0 FGADRP CCN(CCC[NH+]1CCCC1)C(=O)NC[C@H](c1ccc(C)cc1)[NH+](C)C ZINC000190144244 497373647 /nfs/dbraw/zinc/37/36/47/497373647.db2.gz LEVCNKKLUITKQE-HXUWFJFHSA-N 2 0 360.546 3.115 20 0 FGADRP Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000279229025 497373967 /nfs/dbraw/zinc/37/39/67/497373967.db2.gz ORGGMZCDUXEOLH-RDJZCZTQSA-N 2 0 361.555 3.213 20 0 FGADRP CC[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@H]2O)CC1)c1ccc(OC)c(OC)c1 ZINC000271551743 497380834 /nfs/dbraw/zinc/38/08/34/497380834.db2.gz VAJVLGIUQDUMRE-GBESFXJTSA-N 2 0 362.514 3.122 20 0 FGADRP CCOc1ccc(C[N@H+](CCCn2ccnc2)CCC2OCCCO2)cc1 ZINC000271635181 497405248 /nfs/dbraw/zinc/40/52/48/497405248.db2.gz HHCYGXBLGQIKJI-UHFFFAOYSA-N 2 0 373.497 3.327 20 0 FGADRP c1ccc(CCOCCC[NH+]2CCC(OCC[NH+]3CCCC3)CC2)cc1 ZINC000266728874 497406988 /nfs/dbraw/zinc/40/69/88/497406988.db2.gz LFXOHOUDXLZALK-UHFFFAOYSA-N 2 0 360.542 3.213 20 0 FGADRP O=C(Nc1ccc2c(c1F)CC[NH2+]C2)[C@H]1CCCN1Cc1ccccc1 ZINC000261634864 497423376 /nfs/dbraw/zinc/42/33/76/497423376.db2.gz BMMBHWVXADKXKX-LJQANCHMSA-N 2 0 353.441 3.075 20 0 FGADRP C[C@]1(C[NH3+])CCN(Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)C1 ZINC000261701065 497435639 /nfs/dbraw/zinc/43/56/39/497435639.db2.gz IDNDQQDUXKXFDA-QGZVFWFLSA-N 2 0 352.404 3.121 20 0 FGADRP Cc1nn(-c2cc[nH+]cc2)cc1CN1CC[NH2+]C[C@H]1c1ccccc1Cl ZINC000261749160 497443980 /nfs/dbraw/zinc/44/39/80/497443980.db2.gz PZGZFPYGDCVAGX-FQEVSTJZSA-N 2 0 367.884 3.376 20 0 FGADRP C[NH+](CCCCC[N@@H+](C)C[C@H]1CCCC[C@@H]1O)C[C@@H]1CCCC[C@@H]1O ZINC000245552441 497452378 /nfs/dbraw/zinc/45/23/78/497452378.db2.gz QLTPCUJDGOWDSD-WOZUAGRISA-N 2 0 354.579 3.123 20 0 FGADRP C[NH+]1CCC(O)(C[NH2+][C@@H](c2ccc(Br)s2)C2CC2)CC1 ZINC000275921844 497463745 /nfs/dbraw/zinc/46/37/45/497463745.db2.gz QCTYGDAVMKERQI-CQSZACIVSA-N 2 0 359.333 3.008 20 0 FGADRP C[NH+](C)[C@H](CNC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1)c1cccs1 ZINC000245623164 497477757 /nfs/dbraw/zinc/47/77/57/497477757.db2.gz FRBGWIITSOFYPC-YQVWRLOYSA-N 2 0 372.538 3.095 20 0 FGADRP COCCc1nc(C)c([C@H](C)[NH2+]CCCC[NH+]2C[C@H](C)O[C@@H](C)C2)s1 ZINC000245623845 497479146 /nfs/dbraw/zinc/47/91/46/497479146.db2.gz SDJNEYHWBXSKAA-JYJNAYRXSA-N 2 0 369.575 3.180 20 0 FGADRP C[NH2+]CCC1CC[NH+](CC(=O)N[C@H](C)c2ccc(CC(C)C)cc2)CC1 ZINC000262000516 497489794 /nfs/dbraw/zinc/48/97/94/497489794.db2.gz PPJCECJBTDNUOJ-GOSISDBHSA-N 2 0 359.558 3.384 20 0 FGADRP CC[NH+](CC)CCCNC(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000245657754 497490952 /nfs/dbraw/zinc/49/09/52/497490952.db2.gz CUDZEBFMOYYPBP-SJLPKXTDSA-N 2 0 366.575 3.162 20 0 FGADRP CCC[N@H+](CC)C[C@H](C)NC(=O)N[C@H](C)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000581105155 505910285 /nfs/dbraw/zinc/91/02/85/505910285.db2.gz OHFQOXMKFDYCAN-ZVDOUQERSA-N 2 0 374.573 3.317 20 0 FGADRP [NH3+]CCC(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccc(-c2ccccc2)s1 ZINC000262065981 497502352 /nfs/dbraw/zinc/50/23/52/497502352.db2.gz ROWDPTAGLPGSFI-QGZVFWFLSA-N 2 0 357.523 3.235 20 0 FGADRP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC2CC[NH+](C(C)(C)C)CC2)C1 ZINC000193868749 497506798 /nfs/dbraw/zinc/50/67/98/497506798.db2.gz CJNQZGWGBGQZGV-INIZCTEOSA-N 2 0 352.567 3.059 20 0 FGADRP Fc1ccc(C(C[N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)c2ccc(F)cc2)cc1 ZINC000262107101 497509677 /nfs/dbraw/zinc/50/96/77/497509677.db2.gz JSLMNELBKYRGKG-NRFANRHFSA-N 2 0 371.475 3.076 20 0 FGADRP CC1CC[NH+](C[C@@H]2CCCN(C(=O)C3C[C@H]4CCC[C@@H](C3)C4[NH3+])C2)CC1 ZINC000262171279 497518753 /nfs/dbraw/zinc/51/87/53/497518753.db2.gz ASVLCWCWPGFCOW-DOIVMEMASA-N 2 0 361.574 3.111 20 0 FGADRP O[C@H]1CC[N@H+](Cc2ccccc2C[NH2+]CCSCc2ccccc2)C1 ZINC000193917832 497519926 /nfs/dbraw/zinc/51/99/26/497519926.db2.gz WQNDTPRRPUPKOL-NRFANRHFSA-N 2 0 356.535 3.276 20 0 FGADRP Cc1ccccc1C[NH+]1CCC(NC(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])CC1 ZINC000262176839 497520346 /nfs/dbraw/zinc/52/03/46/497520346.db2.gz BDEGMYKRIZXVDT-UUVDZOIZSA-N 2 0 369.553 3.229 20 0 FGADRP C[C@H]1C[C@@H](NC(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000262261725 497531526 /nfs/dbraw/zinc/53/15/26/497531526.db2.gz JLXOJAMMAFNCGQ-IKCASOAWSA-N 2 0 369.553 3.309 20 0 FGADRP C[NH+]1CCN(CCC[NH2+][C@H](c2ccc(Br)s2)C2CC2)CC1 ZINC000190574269 497533488 /nfs/dbraw/zinc/53/34/88/497533488.db2.gz SZUNJDCZCIPOHQ-INIZCTEOSA-N 2 0 372.376 3.189 20 0 FGADRP C[C@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1cc(Br)cs1 ZINC000193965749 497534418 /nfs/dbraw/zinc/53/44/18/497534418.db2.gz IITTXRAISJNRCI-LBPRGKRZSA-N 2 0 360.365 3.187 20 0 FGADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H](C)c2cc(Br)cs2)CC1 ZINC000193972743 497536592 /nfs/dbraw/zinc/53/65/92/497536592.db2.gz ZOFODQBOPOIJNI-STQMWFEESA-N 2 0 360.365 3.187 20 0 FGADRP C[NH+](C)CCN1CCC([NH2+][C@H]2CCc3ccc(Br)cc32)CC1 ZINC000193973470 497537399 /nfs/dbraw/zinc/53/73/99/497537399.db2.gz QBOFDIVKRJFPBJ-SFHVURJKSA-N 2 0 366.347 3.052 20 0 FGADRP Cc1ccc(OC[C@@H](O)C[NH2+]Cc2ccccc2C[NH+]2CCCC2)cc1 ZINC000578316173 505913174 /nfs/dbraw/zinc/91/31/74/505913174.db2.gz PUJGSPWVSYKWBT-NRFANRHFSA-N 2 0 354.494 3.120 20 0 FGADRP Cc1ccc([C@@H]([NH3+])C(=O)NC2CCN(Cc3ccc(F)c(F)c3)CC2)cc1 ZINC000262624021 497586757 /nfs/dbraw/zinc/58/67/57/497586757.db2.gz FPDOKJZYZDAODT-HXUWFJFHSA-N 2 0 373.447 3.054 20 0 FGADRP CC[C@H](CNC(=O)[C@@H](C)[C@H]([NH3+])c1ccccc1)[N@@H+]1CCc2ccccc2C1 ZINC000262660008 497594503 /nfs/dbraw/zinc/59/45/03/497594503.db2.gz FUMHYGNTUSQDNC-WTOYTKOKSA-N 2 0 365.521 3.276 20 0 FGADRP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@](C)([NH3+])c1ccccc1 ZINC000262772157 497617767 /nfs/dbraw/zinc/61/77/67/497617767.db2.gz JAZXHRYVFHNZKK-NZQKXSOJSA-N 2 0 365.521 3.231 20 0 FGADRP C[N@@H+]1CC[C@H]([NH2+]Cc2cc3c(c(Br)c2)OCO3)[C@@H]2CCC[C@H]21 ZINC000572229116 505919712 /nfs/dbraw/zinc/91/97/12/505919712.db2.gz CRBQSPWGPZENHZ-AEGPPILISA-N 2 0 367.287 3.140 20 0 FGADRP C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)[C@@](C)([NH3+])c3ccccc3)cc2)C1 ZINC000262851591 497637826 /nfs/dbraw/zinc/63/78/26/497637826.db2.gz KDBVEYOSGONOHG-MBSDFSHPSA-N 2 0 365.521 3.409 20 0 FGADRP CCC(CC)(CNC(=O)[C@H]([NH3+])CCSC)[NH2+][C@H](C)c1ccccc1 ZINC000272470848 497638123 /nfs/dbraw/zinc/63/81/23/497638123.db2.gz QDVBVGQAMWDECO-NVXWUHKLSA-N 2 0 351.560 3.093 20 0 FGADRP C[C@H]([NH2+]CCNC(=O)c1ccccc1F)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272529232 497652649 /nfs/dbraw/zinc/65/26/49/497652649.db2.gz AIIJNQRUSDOVKH-HKUYNNGSSA-N 2 0 369.484 3.056 20 0 FGADRP C[C@H](NC(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000272565371 497664351 /nfs/dbraw/zinc/66/43/51/497664351.db2.gz SNNPKMUFTSHWDT-JYAXBFRTSA-N 2 0 372.557 3.021 20 0 FGADRP Cc1ccc([C@H](CNC(=O)C2CC[NH+](C3CC3)CC2)[NH+]2CCCC2)cc1 ZINC000194474454 497679768 /nfs/dbraw/zinc/67/97/68/497679768.db2.gz VOZZDAREGZQUGT-NRFANRHFSA-N 2 0 355.526 3.123 20 0 FGADRP CCN(Cc1ccccc1)C(=O)[C@@H](C)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000246279211 497682008 /nfs/dbraw/zinc/68/20/08/497682008.db2.gz HQWQCWJDXFGRSP-TZIWHRDSSA-N 2 0 357.542 3.374 20 0 FGADRP CC1=CCC[C@@H](C)[C@H]1C[NH+]1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000191057366 497696320 /nfs/dbraw/zinc/69/63/20/497696320.db2.gz OMBAUARHXTZOMC-QUCCMNQESA-N 2 0 363.590 3.395 20 0 FGADRP C[C@H](C[NH+]1CCCCC1)NC(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000246348019 497703441 /nfs/dbraw/zinc/70/34/41/497703441.db2.gz JOSYUAHWYBHFJM-HSALFYBXSA-N 2 0 364.578 3.157 20 0 FGADRP O[C@H]1CC[N@H+](Cc2ccccc2C[NH2+][C@@H]2CCc3c2c(F)ccc3F)C1 ZINC000272734439 497716044 /nfs/dbraw/zinc/71/60/44/497716044.db2.gz BATGVPYQWLZJAN-OXJNMPFZSA-N 2 0 358.432 3.309 20 0 FGADRP C[NH+](C)[C@H]1CCC[N@H+](CCC(=O)Nc2ccc(Br)cc2)CC1 ZINC000277033824 497721845 /nfs/dbraw/zinc/72/18/45/497721845.db2.gz BIDLCJUTWOOQAF-INIZCTEOSA-N 2 0 368.319 3.194 20 0 FGADRP C[C@@H]1C[C@H](NC(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000246409132 497724528 /nfs/dbraw/zinc/72/45/28/497724528.db2.gz DYTCHRQKVKHOJN-PMXSJFBMSA-N 2 0 372.557 3.212 20 0 FGADRP Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)[C@H]1CCCC[C@]1(C)[NH3+] ZINC000263204759 497732018 /nfs/dbraw/zinc/73/20/18/497732018.db2.gz JOIALOSXQAHGBY-XLIONFOSSA-N 2 0 361.555 3.390 20 0 FGADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)NC[C@H]2CCC[NH+]2Cc2ccccc2)C1 ZINC000246444850 497736287 /nfs/dbraw/zinc/73/62/87/497736287.db2.gz UINAKJNJJNZVTJ-LEWJYISDSA-N 2 0 372.557 3.024 20 0 FGADRP Cc1ncc([C@H](C)NC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)c(C)n1 ZINC000277136276 497751608 /nfs/dbraw/zinc/75/16/08/497751608.db2.gz OVAAOEFFNLEFKX-JXFKEZNVSA-N 2 0 354.498 3.035 20 0 FGADRP CC(C)[C@H](C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCCCC1 ZINC000194750755 497760055 /nfs/dbraw/zinc/76/00/55/497760055.db2.gz URCDHHZUKIOWMI-NHCUHLMSSA-N 2 0 357.542 3.135 20 0 FGADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)NCCCC[NH+]2CCCC[C@H]2C)C1 ZINC000246568621 497777138 /nfs/dbraw/zinc/77/71/38/497777138.db2.gz ZHLNWZSVOMCGPL-RTBURBONSA-N 2 0 352.567 3.014 20 0 FGADRP CCOc1ccc(C2(C[NH2+][C@@H]3C[C@@H](C)[N@H+](C)C[C@H]3C)CCOCC2)cc1 ZINC000246812569 497813066 /nfs/dbraw/zinc/81/30/66/497813066.db2.gz AQLOFVHKKCQNFN-DBXWQHBBSA-N 2 0 360.542 3.452 20 0 FGADRP Cc1cccc(-c2noc(CN3CC[C@@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)n2)c1 ZINC000246828325 497814305 /nfs/dbraw/zinc/81/43/05/497814305.db2.gz NZTHPLRWPIHPKY-PKOBYXMFSA-N 2 0 352.482 3.494 20 0 FGADRP CCCC[N@H+](C)CC1CCN(C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000246857466 497816992 /nfs/dbraw/zinc/81/69/92/497816992.db2.gz CLIIRWFWFGKLMN-RTBURBONSA-N 2 0 352.567 3.013 20 0 FGADRP C[C@H](CCc1ccc2c(c1)OCO2)[NH2+]CCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000246910751 497820002 /nfs/dbraw/zinc/82/00/02/497820002.db2.gz FWNPXHASBVRQIM-SQNIBIBYSA-N 2 0 362.514 3.215 20 0 FGADRP C[NH+]1CCC(O)(C[NH2+][C@@H]2CCC[C@H]2c2cccc(C(F)(F)F)c2)CC1 ZINC000284548355 497825383 /nfs/dbraw/zinc/82/53/83/497825383.db2.gz XVNPTCCIGBQDCT-DLBZAZTESA-N 2 0 356.432 3.388 20 0 FGADRP [NH3+]Cc1ccc(C(=O)N2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000364240186 497856463 /nfs/dbraw/zinc/85/64/63/497856463.db2.gz XAKXKSNJAKLEFH-UHFFFAOYSA-N 2 0 363.505 3.274 20 0 FGADRP Cc1ccc(-c2noc(CCC[NH+]3CC[C@@]4(CC[N@@H+](C)C4)C3)n2)cc1F ZINC000292057328 497860159 /nfs/dbraw/zinc/86/01/59/497860159.db2.gz CFIZLBFXDKGTPW-HXUWFJFHSA-N 2 0 358.461 3.144 20 0 FGADRP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000578429651 505937892 /nfs/dbraw/zinc/93/78/92/505937892.db2.gz QQSZEOJFRHBKRD-QYZOEREBSA-N 2 0 374.529 3.075 20 0 FGADRP C[NH+](C)CCOc1cnccc1C[NH2+][C@@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000572319055 505940338 /nfs/dbraw/zinc/94/03/38/505940338.db2.gz FIBSWLMDMZUJFK-RXVVDRJESA-N 2 0 369.509 3.280 20 0 FGADRP C[C@H]([NH2+]Cc1ccccc1OCC[NH+](C)C)c1ccc(C(=O)N(C)C)cc1 ZINC000292360344 497984855 /nfs/dbraw/zinc/98/48/55/497984855.db2.gz YQTYZOFUPSEWNS-KRWDZBQOSA-N 2 0 369.509 3.180 20 0 FGADRP CN1CC[NH+](CC2CC[NH+](Cc3ccc4c(c3)CCC(C)(C)O4)CC2)CC1 ZINC000578579713 505971748 /nfs/dbraw/zinc/97/17/48/505971748.db2.gz HICMFQHTAUNNFU-UHFFFAOYSA-N 2 0 371.569 3.250 20 0 FGADRP COc1cc(Cl)c(C)cc1NC(=O)CN(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285531719 498118777 /nfs/dbraw/zinc/11/87/77/498118777.db2.gz PEKXJULKBVMGEY-YIONKMFJSA-N 2 0 365.905 3.153 20 0 FGADRP CC(C)c1ccc([C@@H]([NH3+])CNC(=O)N2CC[N@@H+]([C@@H]3C[C@H]3C)C[C@H](C)C2)cc1 ZINC000581419211 505984674 /nfs/dbraw/zinc/98/46/74/505984674.db2.gz NTGHGVPRCCNGSH-KJNZLNQQSA-N 2 0 372.557 3.182 20 0 FGADRP C[C@@H]([NH2+][C@@H]1CCC(=O)N[C@H]1C(C)(C)C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000285616837 498148112 /nfs/dbraw/zinc/14/81/12/498148112.db2.gz JMAGRZWBBMDALH-XLBJILASSA-N 2 0 357.542 3.180 20 0 FGADRP CC1(C(=O)N2CCC3(CC[NH2+]CC3)CC2)CC[NH+](Cc2ccccc2)CC1 ZINC000572511539 505986657 /nfs/dbraw/zinc/98/66/57/505986657.db2.gz DJUFEZKPQFHNKC-UHFFFAOYSA-N 2 0 369.553 3.281 20 0 FGADRP COC(=O)c1csc([C@H](C)[NH2+]Cc2cccc(OCC[NH+](C)C)c2)c1 ZINC000285719683 498181155 /nfs/dbraw/zinc/18/11/55/498181155.db2.gz QBLYBKVNIOLOBL-AWEZNQCLSA-N 2 0 362.495 3.326 20 0 FGADRP C[N@@H+]1CCC[C@@]2(CC[NH+](CCC(=O)Nc3ccc(Cl)cc3F)C2)C1 ZINC000292903317 498191523 /nfs/dbraw/zinc/19/15/23/498191523.db2.gz GTOKXFKWKICNPW-GOSISDBHSA-N 2 0 353.869 3.225 20 0 FGADRP C[NH2+][C@H]1CCCN(C(=O)NCC2([NH2+][C@@H](C)c3ccccc3)CCCC2)C1 ZINC000569695169 505995830 /nfs/dbraw/zinc/99/58/30/505995830.db2.gz IUIPYZAVSRJWBE-HKUYNNGSSA-N 2 0 358.530 3.043 20 0 FGADRP C[NH2+][C@@H]1CCCN(C(=O)NCC2([NH2+][C@@H](C)c3ccccc3)CCCC2)C1 ZINC000569695176 505996121 /nfs/dbraw/zinc/99/61/21/505996121.db2.gz IUIPYZAVSRJWBE-PKOBYXMFSA-N 2 0 358.530 3.043 20 0 FGADRP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]C[C@@H]2CN4CCCC[C@@H]4CO2)C3)cc1 ZINC000364927846 498214114 /nfs/dbraw/zinc/21/41/14/498214114.db2.gz CPJHCUNSNJGAHV-PFDCGNQRSA-N 2 0 369.553 3.025 20 0 FGADRP COc1ccc(C[NH+]2CCC(C[NH2+]Cc3ncc(Cl)n3C)CC2)cc1 ZINC000281619478 498215653 /nfs/dbraw/zinc/21/56/53/498215653.db2.gz HGTKOJBTLUKRDB-UHFFFAOYSA-N 2 0 362.905 3.084 20 0 FGADRP CC[NH+]1CCN(CCCC[NH2+]Cc2ccc(Sc3ccccn3)o2)CC1 ZINC000293060820 498253826 /nfs/dbraw/zinc/25/38/26/498253826.db2.gz SSLQFVWZYLBDCZ-UHFFFAOYSA-N 2 0 374.554 3.333 20 0 FGADRP [NH3+]C[C@@H](NC(=O)N1CC[C@H]([NH+]2CCCCC2)C1)c1ccc2ccccc2c1 ZINC000578730482 506007583 /nfs/dbraw/zinc/00/75/83/506007583.db2.gz FYYIOPXUNPBXNG-LEWJYISDSA-N 2 0 366.509 3.109 20 0 FGADRP OC1CC[NH+](Cc2ccc(C[NH2+][C@@H]3CCCC[C@H]3[C@H]3CCOC3)cc2)CC1 ZINC000365070825 498283347 /nfs/dbraw/zinc/28/33/47/498283347.db2.gz YOAIXMJEHGKXAG-ACIOBRDBSA-N 2 0 372.553 3.328 20 0 FGADRP C[C@@H]1C[C@@H](N[C@H](CC(N)=O)c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000293169938 498293063 /nfs/dbraw/zinc/29/30/63/498293063.db2.gz WCQLQFOQHRCSFT-JRGCBEDISA-N 2 0 351.494 3.246 20 0 FGADRP COc1ccccc1-n1nccc1C[NH2+]Cc1ccc(F)c(C[NH+](C)C)c1 ZINC000281860520 498295386 /nfs/dbraw/zinc/29/53/86/498295386.db2.gz YXEHXYGOHHXASK-UHFFFAOYSA-N 2 0 368.456 3.371 20 0 FGADRP CC[NH+]1CCC(CNC(=O)N2CCC(CCC[NH+]3CCCC3)CC2)CC1 ZINC000575814404 506011539 /nfs/dbraw/zinc/01/15/39/506011539.db2.gz ZVNWRLGNIDASLC-UHFFFAOYSA-N 2 0 364.578 3.016 20 0 FGADRP COC(=O)c1csc([C@H](C)[NH2+]CC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000286212648 498326820 /nfs/dbraw/zinc/32/68/20/498326820.db2.gz SCGWVBSXIWQCDV-AWEZNQCLSA-N 2 0 359.495 3.497 20 0 FGADRP CCCn1ccnc1CCC[N@H+](C)Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000572648300 506020051 /nfs/dbraw/zinc/02/00/51/506020051.db2.gz XDDLZYGAQFIEFZ-UHFFFAOYSA-N 2 0 352.486 3.247 20 0 FGADRP CN(C)C(=O)N1CCC([NH2+]C[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000289948367 498366444 /nfs/dbraw/zinc/36/64/44/498366444.db2.gz XHZSAWJQFKWYKK-FQEVSTJZSA-N 2 0 372.557 3.024 20 0 FGADRP OC[C@@]1(C[NH2+]C2CCN(CCC(F)(F)F)CC2)C[C@H]1c1ccccc1 ZINC000289959591 498370514 /nfs/dbraw/zinc/37/05/14/498370514.db2.gz WWIHOLFDHRJRGH-ROUUACIJSA-N 2 0 356.432 3.159 20 0 FGADRP CCC[NH+]1CCN(C2CC[NH+](Cc3ccc(OCC4CC4)cc3)CC2)CC1 ZINC000365265719 498380653 /nfs/dbraw/zinc/38/06/53/498380653.db2.gz LBIPVZXWBKHDCN-UHFFFAOYSA-N 2 0 371.569 3.467 20 0 FGADRP COCCC[C@H]([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)c1ccc(F)cc1 ZINC000282156162 498405327 /nfs/dbraw/zinc/40/53/27/498405327.db2.gz DBQYATSLJYHJPL-UTKZUKDTSA-N 2 0 364.505 3.384 20 0 FGADRP [NH3+][C@@H]1CCC[C@H](CNC(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)C1 ZINC000575898682 506029533 /nfs/dbraw/zinc/02/95/33/506029533.db2.gz YPMDJSHWTWXCFM-LEWJYISDSA-N 2 0 372.557 3.379 20 0 FGADRP COc1ccccc1OC[C@H](C)C[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000297359068 498419462 /nfs/dbraw/zinc/41/94/62/498419462.db2.gz FREGMSLADKKSPR-QGZVFWFLSA-N 2 0 355.482 3.364 20 0 FGADRP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(C[NH2+]C3CCC4(CC4)CC3)c2)C1 ZINC000581642917 506034867 /nfs/dbraw/zinc/03/48/67/506034867.db2.gz KWSYHBWXTZJEFN-LJQANCHMSA-N 2 0 355.526 3.196 20 0 FGADRP CCC[N@H+](Cc1ccc(OC)cn1)C1CCN(c2cc(C)nc(C)n2)CC1 ZINC000361985311 498448087 /nfs/dbraw/zinc/44/80/87/498448087.db2.gz GZWSQOUTRFKRIK-UHFFFAOYSA-N 2 0 369.513 3.378 20 0 FGADRP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+][C@@H]1CCc2sc(Br)cc21 ZINC000293679523 498451868 /nfs/dbraw/zinc/45/18/68/498451868.db2.gz KGXLXRYYACBXMV-GXTWGEPZSA-N 2 0 373.360 3.324 20 0 FGADRP CC[N@H+](C)C[C@@H]1CC[NH+](CCCCOc2c(OC)cccc2OC)C1 ZINC000290201349 498463330 /nfs/dbraw/zinc/46/33/30/498463330.db2.gz GQPCYKWBSXAAEP-KRWDZBQOSA-N 2 0 350.503 3.136 20 0 FGADRP C[C@H](C(=O)N1CCC[C@@H]1c1cccs1)[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000578868015 506040822 /nfs/dbraw/zinc/04/08/22/506040822.db2.gz LUXMCAFQZPJEMF-BPQIPLTHSA-N 2 0 361.555 3.122 20 0 FGADRP Cc1ccc(-c2nc(C[NH2+]CCN3CC[N@@H+](C)C(C)(C)C3)cs2)cc1 ZINC000282375082 498485677 /nfs/dbraw/zinc/48/56/77/498485677.db2.gz ODIOYPWJDQJPMJ-UHFFFAOYSA-N 2 0 358.555 3.234 20 0 FGADRP Cc1ccccc1-c1noc([C@H](C)[NH+]2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)n1 ZINC000572741708 506042119 /nfs/dbraw/zinc/04/21/19/506042119.db2.gz YLXYLMXWSZVFMC-VDZJLULYSA-N 2 0 370.497 3.324 20 0 FGADRP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCC[C@H](N2CCOCC2)CC1 ZINC000581677947 506042789 /nfs/dbraw/zinc/04/27/89/506042789.db2.gz UUVNJBXSFSYHGQ-QFIPXVFZSA-N 2 0 373.585 3.331 20 0 FGADRP C[C@@H]([NH2+]Cc1ccncc1OCCC[NH+](C)C)c1ccccc1N(C)C ZINC000290338944 498514638 /nfs/dbraw/zinc/51/46/38/498514638.db2.gz PIZAYRQCTPIXRX-QGZVFWFLSA-N 2 0 356.514 3.329 20 0 FGADRP COCCn1cc(C[N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)cn1 ZINC000293946981 498541016 /nfs/dbraw/zinc/54/10/16/498541016.db2.gz OROGEANECZVXMX-UHFFFAOYSA-N 2 0 368.525 3.018 20 0 FGADRP COc1ccc(C[N@@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)c(OC(F)F)c1 ZINC000578939594 506055592 /nfs/dbraw/zinc/05/55/92/506055592.db2.gz GZHRHZGIOSBFMZ-HNNXBMFYSA-N 2 0 354.441 3.460 20 0 FGADRP C[C@@H](CC[NH2+]C[C@H](O)Cc1ccccc1C(F)(F)F)[NH+]1CCCCC1 ZINC000569961183 506056964 /nfs/dbraw/zinc/05/69/64/506056964.db2.gz ADBOSMJQFJZUNH-DOTOQJQBSA-N 2 0 358.448 3.463 20 0 FGADRP CC(C)S(=O)(=O)CCC[NH2+][C@@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000282612864 498581344 /nfs/dbraw/zinc/58/13/44/498581344.db2.gz ZBKNATARZMEBME-LJQANCHMSA-N 2 0 366.571 3.090 20 0 FGADRP COc1nccnc1C[NH2+]C[C@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000294109965 498592739 /nfs/dbraw/zinc/59/27/39/498592739.db2.gz CVDHKNUABOLTNN-DYVFJYSZSA-N 2 0 364.852 3.060 20 0 FGADRP c1sc(-c2ccccc2)nc1CN1CC[NH+](CC[C@H]2CCC[NH2+]C2)CC1 ZINC000569931935 506050802 /nfs/dbraw/zinc/05/08/02/506050802.db2.gz QRLLPNVYQYHELV-GOSISDBHSA-N 2 0 370.566 3.317 20 0 FGADRP CN(C(=O)NCc1cccc(C[NH+]2CCCC2)c1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000287083209 498621269 /nfs/dbraw/zinc/62/12/69/498621269.db2.gz MDBMWBMFQLHFCC-WCRBZPEASA-N 2 0 370.541 3.049 20 0 FGADRP CC(C)[N@H+](C)Cc1cccc(C[NH2+]Cc2ccc3c(c2)NC(=O)CO3)c1 ZINC000294261109 498636909 /nfs/dbraw/zinc/63/69/09/498636909.db2.gz NXQWOQFOFQTHBG-UHFFFAOYSA-N 2 0 353.466 3.148 20 0 FGADRP CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(OC3CC[NH+](C)CC3)cc2)[C@H]1SC ZINC000298040216 498645953 /nfs/dbraw/zinc/64/59/53/498645953.db2.gz HGNPLIZLFDMBAU-VAMGGRTRSA-N 2 0 364.555 3.158 20 0 FGADRP CC(C)C[C@@H](C[NH+](C)C)NC(=O)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000303078235 498646631 /nfs/dbraw/zinc/64/66/31/498646631.db2.gz SHBWJSXZIIGVQO-ICSRJNTNSA-N 2 0 363.521 3.130 20 0 FGADRP CC1CC[NH+](CCc2cccc(NC(=O)N3CC[C@@H]([NH3+])[C@H](C)C3)c2)CC1 ZINC000570027103 506072351 /nfs/dbraw/zinc/07/23/51/506072351.db2.gz SXZCXMUIOLKXIT-YLJYHZDGSA-N 2 0 358.530 3.162 20 0 FGADRP COc1cc2[nH+]ccc(NC3CC[NH+](C[C@@H]4CCOC4)CC3)c2cc1OC ZINC000298241236 498707514 /nfs/dbraw/zinc/70/75/14/498707514.db2.gz LWQVJFBCEXRMPT-HNNXBMFYSA-N 2 0 371.481 3.165 20 0 FGADRP Cc1cccc(OC[C@H](O)C[NH2+][C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000312592134 498761176 /nfs/dbraw/zinc/76/11/76/498761176.db2.gz XDHWKAMZKOAMCI-CEMLEFRQSA-N 2 0 368.521 3.235 20 0 FGADRP C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000581931427 506093051 /nfs/dbraw/zinc/09/30/51/506093051.db2.gz WEJFJNSEUAKLRZ-YLJYHZDGSA-N 2 0 374.529 3.285 20 0 FGADRP C[C@H](C[NH2+]C[C@@H](O)COc1ccc(Cl)cc1Cl)C[NH+]1CCCC1 ZINC000320728118 498808728 /nfs/dbraw/zinc/80/87/28/498808728.db2.gz NCAGABKKPUJXTK-UKRRQHHQSA-N 2 0 361.313 3.055 20 0 FGADRP C[C@@H](C[NH2+]C[C@H](O)COc1ccc(Cl)cc1Cl)C[NH+]1CCCC1 ZINC000320728119 498809501 /nfs/dbraw/zinc/80/95/01/498809501.db2.gz NCAGABKKPUJXTK-ZFWWWQNUSA-N 2 0 361.313 3.055 20 0 FGADRP C[C@H](C[NH2+]C[C@@H](O)COc1c(Cl)cccc1Cl)C[NH+]1CCCC1 ZINC000320702074 498809662 /nfs/dbraw/zinc/80/96/62/498809662.db2.gz INZRMFZPCWVRKN-ZIAGYGMSSA-N 2 0 361.313 3.055 20 0 FGADRP CC[C@@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)c1ccc(C(=O)OC)cc1 ZINC000294836198 498820799 /nfs/dbraw/zinc/82/07/99/498820799.db2.gz RMAJLSZTLYLONT-LJQANCHMSA-N 2 0 371.481 3.050 20 0 FGADRP C[C@@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1ccc2c(c1)CCC(=O)N2 ZINC000298601347 498826412 /nfs/dbraw/zinc/82/64/12/498826412.db2.gz ZCVBZCKYXSTWOY-OAHLLOKOSA-N 2 0 350.466 3.286 20 0 FGADRP C[NH+](C)CCCOc1ccc(C[NH2+][C@@H]2CCO[C@@H](C(F)(F)F)C2)cc1 ZINC000287762446 498857401 /nfs/dbraw/zinc/85/74/01/498857401.db2.gz QYINTUNXPPDIDB-NVXWUHKLSA-N 2 0 360.420 3.217 20 0 FGADRP Cc1nn(C)c(N2CCC[N@H+](C)CC2)c1C[NH2+]Cc1c(C)cc(C)cc1C ZINC000363536016 498866890 /nfs/dbraw/zinc/86/68/90/498866890.db2.gz XXXDVPYTZJCTGX-UHFFFAOYSA-N 2 0 369.557 3.085 20 0 FGADRP COc1ccc([C@H](C)[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1Cn1cccn1 ZINC000363543208 498869953 /nfs/dbraw/zinc/86/99/53/498869953.db2.gz FCFNTIHMONCVLA-VDGAXYAQSA-N 2 0 354.498 3.217 20 0 FGADRP C[C@H]1CN(C(=O)Nc2ccn3ccnc3c2)CC[N@H+](Cc2ccccc2)C1 ZINC000570167622 506106236 /nfs/dbraw/zinc/10/62/36/506106236.db2.gz LLSGSBNYZNWHQL-QGZVFWFLSA-N 2 0 363.465 3.320 20 0 FGADRP CC[NH+](CC)CCCNC(=O)C1CC[NH+](Cc2ccc(F)c(C)c2)CC1 ZINC000570204220 506114906 /nfs/dbraw/zinc/11/49/06/506114906.db2.gz NFVMEAMNIVXDRH-UHFFFAOYSA-N 2 0 363.521 3.194 20 0 FGADRP C[NH+]1CCC2(CC1)C[C@H](N[C@@H]1CC[N@@H+]3CCC[C@H]3C1)c1ccccc1O2 ZINC000366467134 498941112 /nfs/dbraw/zinc/94/11/12/498941112.db2.gz BFJCCOSBIXQIGQ-HBFSDRIKSA-N 2 0 355.526 3.191 20 0 FGADRP C[N@@H+]1CCC[C@@H](CC[NH2+]C[C@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000576271966 506117994 /nfs/dbraw/zinc/11/79/94/506117994.db2.gz MYWKKUDTVFXHAP-ZFWWWQNUSA-N 2 0 361.313 3.055 20 0 FGADRP COc1cc(C[NH2+][C@@H](C)C[C@H](C)[NH3+])cc(OC)c1OCc1ccccc1 ZINC000582062758 506124468 /nfs/dbraw/zinc/12/44/68/506124468.db2.gz ZVDDSOPVOLLVCL-HOTGVXAUSA-N 2 0 358.482 3.498 20 0 FGADRP C[NH+](C)CCCOc1cnccc1C[NH2+]C/C=C/c1ccc(F)cc1F ZINC000576308438 506126686 /nfs/dbraw/zinc/12/66/86/506126686.db2.gz QSPJKIGJNMCMEC-HWKANZROSA-N 2 0 361.436 3.493 20 0 FGADRP C[C@H](C(=O)Nc1ccc(C(F)(F)F)cc1)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000579239718 506127249 /nfs/dbraw/zinc/12/72/49/506127249.db2.gz IWFFBLQHSJBLIV-KOZAUXTDSA-N 2 0 355.404 3.092 20 0 FGADRP Cn1cc([C@@H]2[C@H](C[NH2+]Cc3ccc(F)c(Cl)c3)CCCN2C)cn1 ZINC000366738530 499055050 /nfs/dbraw/zinc/05/50/50/499055050.db2.gz LHOGFHLZGISJII-KSSFIOAISA-N 2 0 350.869 3.385 20 0 FGADRP C[C@@H]1C[C@H](N(C)C(=O)c2ccc3c[nH+]cn3c2)CC[N@@H+]1Cc1ccccc1 ZINC000284329268 499089755 /nfs/dbraw/zinc/08/97/55/499089755.db2.gz LJXKWVBXNFCHJU-YLJYHZDGSA-N 2 0 362.477 3.459 20 0 FGADRP [NH3+][C@@H]1CCC[C@H]([NH2+]C2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)C1 ZINC000570293456 506135350 /nfs/dbraw/zinc/13/53/50/506135350.db2.gz LILBDDBTISXPDA-HIFRSBDPSA-N 2 0 369.431 3.170 20 0 FGADRP CC(C)[NH+]1CCN(CCC[NH2+][C@@H](c2ccccc2)C2CCOCC2)CC1 ZINC000367042128 499138832 /nfs/dbraw/zinc/13/88/32/499138832.db2.gz DMBQRJYJRXEORQ-QFIPXVFZSA-N 2 0 359.558 3.160 20 0 FGADRP CC[NH+](CC)Cc1cc([C@H](C)[NH2+][C@@H]2CCC(=O)N[C@H]2C2CC2)ccc1OC ZINC000367066438 499142729 /nfs/dbraw/zinc/14/27/29/499142729.db2.gz JNLVMGKAAOOCGB-LYLBAIIYSA-N 2 0 373.541 3.245 20 0 FGADRP O=C(CN1CCC([NH2+][C@H]2CCc3cc(Cl)ccc32)CC1)N1CCCC1 ZINC000372779943 499174459 /nfs/dbraw/zinc/17/44/59/499174459.db2.gz IOFVBAUCJVLVBZ-IBGZPJMESA-N 2 0 361.917 3.004 20 0 FGADRP c1cc(CCN2CCC([NH2+][C@H]3[C@H]4CCO[C@H]4C34CCCC4)CC2)ccn1 ZINC000370093686 499179365 /nfs/dbraw/zinc/17/93/65/499179365.db2.gz UBBWVAXXTDTFON-QHAWAJNXSA-N 2 0 355.526 3.026 20 0 FGADRP C[C@@H]1C[N@@H+](Cc2ccccc2C[NH2+][C@@H]2CCC23CCOCC3)C[C@H](C)O1 ZINC000370312777 499208472 /nfs/dbraw/zinc/20/84/72/499208472.db2.gz BZDLGQYDINJHHA-LVCYWYKZSA-N 2 0 358.526 3.345 20 0 FGADRP COc1c(C)cc([C@@H](C)[NH2+][C@H]2CCN(C3CC[NH+](C)CC3)C2)cc1Cl ZINC000367625933 499219079 /nfs/dbraw/zinc/21/90/79/499219079.db2.gz ZSPOKIGMYBOHES-WBVHZDCISA-N 2 0 365.949 3.476 20 0 FGADRP C[N@H+](CCCn1ccnc1)CC1CCN(C(=O)Nc2ccc(F)cc2)CC1 ZINC000367703309 499226787 /nfs/dbraw/zinc/22/67/87/499226787.db2.gz FXUXOEDLLWONCG-UHFFFAOYSA-N 2 0 373.476 3.288 20 0 FGADRP O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)NC1CC([NH+]2CCCCC2)C1 ZINC000370579623 499233252 /nfs/dbraw/zinc/23/32/52/499233252.db2.gz LURHHBLRIOQMMQ-CBNMVNINSA-N 2 0 370.541 3.140 20 0 FGADRP C[C@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccccc1OC(F)F ZINC000370634176 499237881 /nfs/dbraw/zinc/23/78/81/499237881.db2.gz KKLJJYDZZCSGOT-LSDHHAIUSA-N 2 0 353.457 3.107 20 0 FGADRP C[C@H]1C[NH+](CCCC[NH2+]C2CCN(Cc3cccs3)CC2)C[C@H](C)O1 ZINC000370645699 499239514 /nfs/dbraw/zinc/23/95/14/499239514.db2.gz LOZWHRXJMLBGJU-ROUUACIJSA-N 2 0 365.587 3.192 20 0 FGADRP CC(C)[C@H](CNC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C)[NH+]1CCC(C)CC1 ZINC000370682363 499243866 /nfs/dbraw/zinc/24/38/66/499243866.db2.gz QZIZUZYFNOXSSR-XNMUZJSGSA-N 2 0 364.578 3.010 20 0 FGADRP Cc1cccc(C)c1NC(=O)CCC[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@H]2C1 ZINC000370732662 499249560 /nfs/dbraw/zinc/24/95/60/499249560.db2.gz OOOWGDKRCLCYKU-HSALFYBXSA-N 2 0 355.526 3.438 20 0 FGADRP [NH3+]Cc1ccc(C(=O)N2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)cc1 ZINC000370764425 499252547 /nfs/dbraw/zinc/25/25/47/499252547.db2.gz ZRKTWFIUMCPSJW-QHCPKHFHSA-N 2 0 363.505 3.274 20 0 FGADRP C[C@@H]1C[C@@H](CNC(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)C[NH+]1Cc1ccccc1 ZINC000371007211 499279789 /nfs/dbraw/zinc/27/97/89/499279789.db2.gz HJPWJQURIHSGRT-RMVXJAJNSA-N 2 0 372.557 3.021 20 0 FGADRP O=C(Oc1ccccc1)N1CCC[C@@H]([NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000368473535 499299482 /nfs/dbraw/zinc/29/94/82/499299482.db2.gz ICRFCYVCSQKGFN-QZTJIDSGSA-N 2 0 357.498 3.114 20 0 FGADRP C[C@@H]1C[N@@H+](CCCC[NH2+]C2CCC(O)(c3ccccc3)CC2)C[C@H](C)O1 ZINC000368650925 499317237 /nfs/dbraw/zinc/31/72/37/499317237.db2.gz RHFVHLDIIQDWRA-IVCWUUCSSA-N 2 0 360.542 3.296 20 0 FGADRP CCC[N@@H+]1CC[C@@H](CNC(=O)NC2CC[NH+](C3CCC(C)CC3)CC2)C1 ZINC000368994020 499354537 /nfs/dbraw/zinc/35/45/37/499354537.db2.gz XEQVCJMTNNLCDW-FDYSRKEFSA-N 2 0 364.578 3.061 20 0 FGADRP COc1ccc(-c2noc([C@H](C)[NH+]3CCC([C@@H]4CCC[NH2+]4)CC3)n2)cc1 ZINC000576376173 506143790 /nfs/dbraw/zinc/14/37/90/506143790.db2.gz GBRRBQIYFJYUBJ-KSSFIOAISA-N 2 0 356.470 3.270 20 0 FGADRP COc1ccccc1C[C@H]1CCC[N@H+](CCCN2CC[NH+](C(C)C)CC2)C1 ZINC000369182806 499375290 /nfs/dbraw/zinc/37/52/90/499375290.db2.gz IUNKSGMJWFOCLW-OAQYLSRUSA-N 2 0 373.585 3.366 20 0 FGADRP Cc1cccc(C)c1OCCC[N@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000369399016 499399728 /nfs/dbraw/zinc/39/97/28/499399728.db2.gz RQEYGCDNEVRYQD-NRFANRHFSA-N 2 0 359.558 3.173 20 0 FGADRP C[NH+]1CCC([C@H]2CCN(C(=O)NCCCCC[NH+]3CCCCC3)C2)CC1 ZINC000372305449 499418888 /nfs/dbraw/zinc/41/88/88/499418888.db2.gz QJMCPZHBOPLZTM-FQEVSTJZSA-N 2 0 364.578 3.016 20 0 FGADRP C[N@H+](CCCNC(=O)C1CC[NH+](Cc2cccnc2)CC1)C1CCCCC1 ZINC000369662467 499433196 /nfs/dbraw/zinc/43/31/96/499433196.db2.gz QYRNMUNOQIDZNL-UHFFFAOYSA-N 2 0 372.557 3.064 20 0 FGADRP C[N@H+](Cc1ccccc1)[C@@H]1CCCN(C(=O)C2CC[NH+](C3CC3)CC2)CC1 ZINC000373380088 499466364 /nfs/dbraw/zinc/46/63/64/499466364.db2.gz YXZKAPUWCZQQFI-OAQYLSRUSA-N 2 0 369.553 3.374 20 0 FGADRP Brc1ccc(C[NH2+]C[C@@H]2CCCN(Cc3cccnc3)C2)o1 ZINC000373609269 499479754 /nfs/dbraw/zinc/47/97/54/499479754.db2.gz GSXIIYVRAOWYLA-HNNXBMFYSA-N 2 0 364.287 3.439 20 0 FGADRP COc1ccc2c(c1)OCC[C@@H]2[NH2+][C@H]1CCN(Cc2ccccn2)C[C@H]1C ZINC000378183660 499488199 /nfs/dbraw/zinc/48/81/99/499488199.db2.gz JKDSRKCUHHDAQL-CZAAIQMYSA-N 2 0 367.493 3.414 20 0 FGADRP COc1cc(C[N@H+](C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)ccc1SC ZINC000378297013 499498954 /nfs/dbraw/zinc/49/89/54/499498954.db2.gz SICPMNRGLRTEQI-GOSISDBHSA-N 2 0 363.571 3.017 20 0 FGADRP c1ccc(C[N@@H+]2CCC[C@]23CCOC3)c(C[NH+]2CCC[C@]23CCOC3)c1 ZINC000375278184 499502621 /nfs/dbraw/zinc/50/26/21/499502621.db2.gz KGPFNJXVVVYOPC-FGZHOGPDSA-N 2 0 356.510 3.196 20 0 FGADRP O[C@@H]1CC[N@H+](Cc2ccccc2C[NH2+][C@H]2CCC[C@H](c3cccnc3)C2)C1 ZINC000375593647 499536038 /nfs/dbraw/zinc/53/60/38/499536038.db2.gz YYOKFOAERJTNSP-OFAXGOBFSA-N 2 0 365.521 3.464 20 0 FGADRP C[C@@H]([NH2+]Cc1ccc2c(c1)OCCO2)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000389105746 499552279 /nfs/dbraw/zinc/55/22/79/499552279.db2.gz PBMVOCMEGIYPLU-XLIONFOSSA-N 2 0 352.478 3.458 20 0 FGADRP CC1(C)CCC[NH2+][C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000390942964 499556184 /nfs/dbraw/zinc/55/61/84/499556184.db2.gz RLZACFICEGHHJO-NXEWRWPSSA-N 2 0 355.526 3.076 20 0 FGADRP Cc1nc(C)c([C@H](C)[NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)s1 ZINC000397558845 499564163 /nfs/dbraw/zinc/56/41/63/499564163.db2.gz RVEPCFVQAKEMRP-HNNXBMFYSA-N 2 0 359.539 3.438 20 0 FGADRP C[NH+]1CCC(C[NH2+][C@H](c2cncc(F)c2)C2CC2)(N2CCCCC2)CC1 ZINC000376130534 499585204 /nfs/dbraw/zinc/58/52/04/499585204.db2.gz ISLLAWDCMWQWND-FQEVSTJZSA-N 2 0 360.521 3.212 20 0 FGADRP C[N@H+]1CC=C(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC000376296057 499598396 /nfs/dbraw/zinc/59/83/96/499598396.db2.gz LMXDLBDRUICIBK-GUDVDZBRSA-N 2 0 363.546 3.406 20 0 FGADRP CC(C)[N@@H+]1CCc2nc(CN3CCc4ccccc4[C@@H]3CO)sc2C1 ZINC000376339716 499601516 /nfs/dbraw/zinc/60/15/16/499601516.db2.gz IGANCYPJPJTBDN-SFHVURJKSA-N 2 0 357.523 3.001 20 0 FGADRP OC[C@H]1CCC[N@@H+]1Cc1ccccc1CNc1cc[nH+]cc1-c1cccnc1 ZINC000376713864 499631196 /nfs/dbraw/zinc/63/11/96/499631196.db2.gz AMXXHDOETVZWBL-OAQYLSRUSA-N 2 0 374.488 3.134 20 0 FGADRP c1ccc(CN2C[C@H]([NH2+]CCCOC3CCOCC3)C[C@@H]2C2CC2)cc1 ZINC000376861511 499641828 /nfs/dbraw/zinc/64/18/28/499641828.db2.gz SYLJILWDBGGXDB-IFMALSPDSA-N 2 0 358.526 3.215 20 0 FGADRP C[C@H]1CCC[C@H]([NH+]2CCC([NH2+]C3CCN(c4cccnn4)CC3)CC2)C1 ZINC000376982968 499651667 /nfs/dbraw/zinc/65/16/67/499651667.db2.gz PASYKSUCXXBHIY-PXNSSMCTSA-N 2 0 357.546 3.078 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)NCC[NH+]1CCCCC1 ZINC000410352035 499656924 /nfs/dbraw/zinc/65/69/24/499656924.db2.gz HDNPFSZDXSLQDO-LJQANCHMSA-N 2 0 372.557 3.346 20 0 FGADRP C[N@@H+]1CC[C@@H](CNC2CC[NH+](C3CCCCC3)CC2)[C@@H]1c1cccnc1 ZINC000377255742 499674501 /nfs/dbraw/zinc/67/45/01/499674501.db2.gz IXXDTFCKPVMIIA-UGKGYDQZSA-N 2 0 356.558 3.461 20 0 FGADRP Cc1nn(C)c(N2CCC[N@H+](C)CC2)c1C[NH2+][C@@H]1C[C@@H](C)c2ccccc21 ZINC000377563684 499704870 /nfs/dbraw/zinc/70/48/70/499704870.db2.gz MBAAAKXXRCXACN-IIBYNOLFSA-N 2 0 367.541 3.209 20 0 FGADRP COc1ccc2c(c1)CCC[C@@H]2[N@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000377626232 499712216 /nfs/dbraw/zinc/71/22/16/499712216.db2.gz MEAAAGDZOBJFSL-UGKGYDQZSA-N 2 0 357.542 3.173 20 0 FGADRP CCO[C@@H]1C[C@@H](O)C12CC[NH+](Cc1cccc(C[NH+]3CCCCC3)c1)CC2 ZINC000411278356 499720788 /nfs/dbraw/zinc/72/07/88/499720788.db2.gz AGKOFLMMRCOYFF-FGZHOGPDSA-N 2 0 372.553 3.424 20 0 FGADRP CCO[C@H]1C[C@H](O)C12CC[NH+](Cc1ccc(C[NH+]3CCCCC3)cc1)CC2 ZINC000411279719 499720959 /nfs/dbraw/zinc/72/09/59/499720959.db2.gz CJCWWZSDTCJGMO-VXKWHMMOSA-N 2 0 372.553 3.424 20 0 FGADRP c1cc(C[NH+]2CCC(O[C@@H]3CCOC3)CC2)ccc1C[NH+]1CCCCC1 ZINC000411320623 499725607 /nfs/dbraw/zinc/72/56/07/499725607.db2.gz BMKIBGSCUPIFKB-JOCHJYFZSA-N 2 0 358.526 3.442 20 0 FGADRP Cn1cc(C[NH2+]C[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)c(-c2ccncc2)n1 ZINC000377758678 499729592 /nfs/dbraw/zinc/72/95/92/499729592.db2.gz CXQXZJCIHZOKDM-SIKLNZKXSA-N 2 0 361.493 3.265 20 0 FGADRP COc1cc(C[NH2+]C[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)cc(OC)c1OC ZINC000377763206 499730039 /nfs/dbraw/zinc/73/00/39/499730039.db2.gz RDAUZXHXSMCJBN-RXVVDRJESA-N 2 0 370.493 3.495 20 0 FGADRP CC(CC[NH+]1CC[C@H]([C@@H]2CCOC2)C1)CC[N@@H+]1CC[C@H]([C@@H]2CCOC2)C1 ZINC000411399592 499734561 /nfs/dbraw/zinc/73/45/61/499734561.db2.gz RNTWLEGCNKTJKD-FNAHDJPLSA-N 2 0 364.574 3.120 20 0 FGADRP CN(C)C(=O)CC1CC[NH+](Cc2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC000411500479 499747933 /nfs/dbraw/zinc/74/79/33/499747933.db2.gz SXTCBQPPGXJNCX-UHFFFAOYSA-N 2 0 357.542 3.363 20 0 FGADRP CC(=O)N[C@@H](C)C1CC[NH+](Cc2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC000411554996 499762531 /nfs/dbraw/zinc/76/25/31/499762531.db2.gz UZHVOWRXPPPQEN-SFHVURJKSA-N 2 0 357.542 3.409 20 0 FGADRP CCc1ccc(C[N@@H+](C)C[C@@H]2CCCN(CC)[C@H]2c2cnn(C)c2)nc1 ZINC000411579650 499765468 /nfs/dbraw/zinc/76/54/68/499765468.db2.gz FELNCNOVKCESQR-GHTZIAJQSA-N 2 0 355.530 3.283 20 0 FGADRP C[NH+]1CCC(C[NH2+][C@@H](c2ccccc2)C2CCCC2)(N2CCOCC2)CC1 ZINC000414207665 499768516 /nfs/dbraw/zinc/76/85/16/499768516.db2.gz ZSIAVSDZJGKFQZ-QFIPXVFZSA-N 2 0 371.569 3.304 20 0 FGADRP CCC[C@@H]([NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1)C1CCCCC1 ZINC000414207150 499768531 /nfs/dbraw/zinc/76/85/31/499768531.db2.gz ZDHJTJHTGRBOFN-HXUWFJFHSA-N 2 0 351.579 3.122 20 0 FGADRP CC1CC[NH+](CCC[C@@H]([NH2+]C[C@H]2CNC(=O)C2)c2ccc(F)cc2)CC1 ZINC000414215191 499768974 /nfs/dbraw/zinc/76/89/74/499768974.db2.gz ZWVGELFYAQPAMT-FXAWDEMLSA-N 2 0 361.505 3.105 20 0 FGADRP C[C@H]1OCC[C@@]12C[N@H+](Cc1cccc(C[NH+]3CCCCC3)c1)C[C@@H](C)O2 ZINC000411670006 499775603 /nfs/dbraw/zinc/77/56/03/499775603.db2.gz KPSJQKFABHELNW-WOIUINJBSA-N 2 0 358.526 3.441 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H](CO)c1ccc(F)cc1 ZINC000414313334 499776753 /nfs/dbraw/zinc/77/67/53/499776753.db2.gz OSXOQWPOIIIYTA-ZNLUXHQJSA-N 2 0 356.485 3.402 20 0 FGADRP CC1(C)CCC[C@H]([NH2+]Cc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)C1 ZINC000414320200 499777306 /nfs/dbraw/zinc/77/73/06/499777306.db2.gz BLIDZXCKBPEDSV-FQEVSTJZSA-N 2 0 357.542 3.442 20 0 FGADRP CC(=O)NCC[C@@H]1CCC[N@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000411739504 499785021 /nfs/dbraw/zinc/78/50/21/499785021.db2.gz NOMZFVHHQWLJSH-FQEVSTJZSA-N 2 0 357.542 3.411 20 0 FGADRP CC(C)=CCC[C@@H](C)CC[NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000414480792 499797515 /nfs/dbraw/zinc/79/75/15/499797515.db2.gz JVHHBZUHXBVLTE-HXUWFJFHSA-N 2 0 351.579 3.145 20 0 FGADRP C[C@@H]1C[C@H](C[NH+]2CCN(C(=O)c3cc(Cl)cc(Cl)c3)CC2)CC[NH2+]1 ZINC000414737110 499824988 /nfs/dbraw/zinc/82/49/88/499824988.db2.gz NVWRWHNPBROQNJ-ZIAGYGMSSA-N 2 0 370.324 3.139 20 0 FGADRP C[C@@H](c1ccc(Cl)c(Cl)c1)[N@H+](C)C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414738558 499825348 /nfs/dbraw/zinc/82/53/48/499825348.db2.gz PHEVJMGIKZHXQZ-STQMWFEESA-N 2 0 358.313 3.184 20 0 FGADRP C[C@@H]1C[C@@H](C[NH+]2CCN(C(=O)c3cc4ccccc4s3)CC2)CC[NH2+]1 ZINC000414769670 499828711 /nfs/dbraw/zinc/82/87/11/499828711.db2.gz WZJATWPMZHGHLW-CVEARBPZSA-N 2 0 357.523 3.047 20 0 FGADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]Cc1cnn(-c2ccc(Br)cc2)c1 ZINC000414797329 499832128 /nfs/dbraw/zinc/83/21/28/499832128.db2.gz INIXBNAVYPOMNZ-WMLDXEAASA-N 2 0 363.303 3.242 20 0 FGADRP C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000414797209 499832298 /nfs/dbraw/zinc/83/22/98/499832298.db2.gz IHHULTKWXORASK-QGPMSJSTSA-N 2 0 351.922 3.184 20 0 FGADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]Cc1ccc(Br)c(Br)c1 ZINC000414795720 499832306 /nfs/dbraw/zinc/83/23/06/499832306.db2.gz HAAKFNVPLQQYAN-ZWNOBZJWSA-N 2 0 362.109 3.429 20 0 FGADRP c1c(C[NH2+]CC[C@H]2CC[NH2+]C2)c(-c2cccnc2)nn1Cc1ccccc1 ZINC000414835261 499835765 /nfs/dbraw/zinc/83/57/65/499835765.db2.gz RIXFFVUOPFHMQE-GOSISDBHSA-N 2 0 361.493 3.083 20 0 FGADRP C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000414837468 499836117 /nfs/dbraw/zinc/83/61/17/499836117.db2.gz KDPISQHJLBPWGR-HZPDHXFCSA-N 2 0 351.922 3.056 20 0 FGADRP C[C@@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000414837470 499836208 /nfs/dbraw/zinc/83/62/08/499836208.db2.gz KDPISQHJLBPWGR-JKSUJKDBSA-N 2 0 351.922 3.056 20 0 FGADRP C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000414853041 499838147 /nfs/dbraw/zinc/83/81/47/499838147.db2.gz KNMSVPQANPTALI-BFYDXBDKSA-N 2 0 351.922 3.055 20 0 FGADRP C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000414858886 499838486 /nfs/dbraw/zinc/83/84/86/499838486.db2.gz STPOBXPVJZYQNY-RDBSUJKOSA-N 2 0 357.420 3.400 20 0 FGADRP Cc1cccn2cc(COc3ccc(C[NH2+][C@@H]4CC[NH2+][C@@H](C)C4)cc3)nc12 ZINC000414943549 499847331 /nfs/dbraw/zinc/84/73/31/499847331.db2.gz FOBPAKGTPVPSRF-PKOBYXMFSA-N 2 0 364.493 3.452 20 0 FGADRP CC1([NH2+]Cc2ccc(Br)c(Br)c2)CC[NH2+]CC1 ZINC000414947548 499847704 /nfs/dbraw/zinc/84/77/04/499847704.db2.gz WOWBWPUYPVULIN-UHFFFAOYSA-N 2 0 362.109 3.443 20 0 FGADRP C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000414969124 499849962 /nfs/dbraw/zinc/84/99/62/499849962.db2.gz IYBJPVVBLQGHOX-UKRRQHHQSA-N 2 0 368.319 3.288 20 0 FGADRP C[C@@H]([NH3+])C1CCN(C(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)CC1 ZINC000414973307 499850158 /nfs/dbraw/zinc/85/01/58/499850158.db2.gz ZFEDNGDKJCMELF-QGZVFWFLSA-N 2 0 358.530 3.306 20 0 FGADRP COCC1(C[NH2+]Cc2ccc(Br)cc2Cl)CC[NH2+]CC1 ZINC000414978033 499850690 /nfs/dbraw/zinc/85/06/90/499850690.db2.gz SCQWXSAJYWKXPR-UHFFFAOYSA-N 2 0 361.711 3.208 20 0 FGADRP C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]C[C@H]1CCC[C@@H]([NH3+])C1 ZINC000414992636 499852323 /nfs/dbraw/zinc/85/23/23/499852323.db2.gz BWOGTCJJEXOVOB-HLLBOEOZSA-N 2 0 351.922 3.184 20 0 FGADRP C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]C[C@H]1CCC[C@H]([NH3+])C1 ZINC000414992628 499852388 /nfs/dbraw/zinc/85/23/88/499852388.db2.gz BVMCAMXAOKNQAF-VKJFTORMSA-N 2 0 351.922 3.184 20 0 FGADRP [NH3+][C@H]1CCC[C@@H](C[NH2+]Cc2nc(-c3cccc(Br)c3)c[nH]2)C1 ZINC000415004144 499854124 /nfs/dbraw/zinc/85/41/24/499854124.db2.gz NWFXCVPUPQSFHY-DOMZBBRYSA-N 2 0 363.303 3.446 20 0 FGADRP C[C@@H](CCC[NH3+])[NH2+]C1CCN(Cc2ccccc2Br)CC1 ZINC000415016262 499855389 /nfs/dbraw/zinc/85/53/89/499855389.db2.gz CCLBURCJNMZUNJ-AWEZNQCLSA-N 2 0 354.336 3.131 20 0 FGADRP CCOc1c(Br)cc(C[NH2+][C@H](C)CCCC[NH3+])cc1OC ZINC000415019462 499855572 /nfs/dbraw/zinc/85/55/72/499855572.db2.gz WANKCNYMGIMEQJ-GFCCVEGCSA-N 2 0 359.308 3.464 20 0 FGADRP [NH3+]C[C@H]1CC[C@H](C[NH2+]Cc2cc(Br)c3c(c2)OCCO3)CC1 ZINC000415021173 499855693 /nfs/dbraw/zinc/85/56/93/499855693.db2.gz HNVCZXWMWHBGMN-JOCQHMNTSA-N 2 0 369.303 3.075 20 0 FGADRP COc1cc(C[NH2+][C@H]2CC[C@H](C[NH3+])C2)cc(OC)c1OCc1ccccc1 ZINC000415046355 499857862 /nfs/dbraw/zinc/85/78/62/499857862.db2.gz VBLZMTNXECXQFJ-HKUYNNGSSA-N 2 0 370.493 3.500 20 0 FGADRP c1sc(-c2ccccc2)nc1C[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000415050625 499858385 /nfs/dbraw/zinc/85/83/85/499858385.db2.gz IWIDYEOXDLSPHC-UHFFFAOYSA-N 2 0 356.539 3.116 20 0 FGADRP CCc1ccccc1[C@@H]([NH3+])CNCc1nc2c(s1)C[N@@H+](C(C)C)CC2 ZINC000415073457 499860995 /nfs/dbraw/zinc/86/09/95/499860995.db2.gz ZGHOUOAUNMKEET-KRWDZBQOSA-N 2 0 358.555 3.262 20 0 FGADRP CCOc1c(Cl)cccc1C[NH+]1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000415106996 499864632 /nfs/dbraw/zinc/86/46/32/499864632.db2.gz KHAVEISKUKSBQE-MJGOQNOKSA-N 2 0 352.906 3.457 20 0 FGADRP Cc1ccc(C[NH+]2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)cc1Br ZINC000415115746 499865733 /nfs/dbraw/zinc/86/57/33/499865733.db2.gz XHALGMDZHGSTEW-ZWKOTPCHSA-N 2 0 367.331 3.476 20 0 FGADRP C[C@H]1CC[N@H+](Cc2cn(-c3ccccc3)nc2-c2cccnc2)C[C@H]1C[NH3+] ZINC000415123202 499866394 /nfs/dbraw/zinc/86/63/94/499866394.db2.gz JEBSBURDQUQRNM-PKOBYXMFSA-N 2 0 361.493 3.351 20 0 FGADRP NC1(C[NH2+][C@@H]2Cc3ccc(Cl)cc3C2)CC[NH+](Cc2ccccc2)CC1 ZINC000415133733 499868325 /nfs/dbraw/zinc/86/83/25/499868325.db2.gz NNCNTSADCPLGRI-OAQYLSRUSA-N 2 0 369.940 3.390 20 0 FGADRP CCCN(C(=O)Nc1cccc([C@@H](C)N2CCOCC2)c1)C1CC[NH2+]CC1 ZINC000415152166 499870900 /nfs/dbraw/zinc/87/09/00/499870900.db2.gz UGAYTNVCNMQECE-QGZVFWFLSA-N 2 0 374.529 3.076 20 0 FGADRP CCC([NH3+])(CC)CNC(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000415312463 499885703 /nfs/dbraw/zinc/88/57/03/499885703.db2.gz SXALMCPZNADJFE-UHFFFAOYSA-N 2 0 362.518 3.190 20 0 FGADRP CC1CC[NH+](CCc2cccc(NC(=O)NCC[C@H]3CCC[NH2+]3)c2)CC1 ZINC000415384396 499890433 /nfs/dbraw/zinc/89/04/33/499890433.db2.gz CWONXEAKYPPDOK-LJQANCHMSA-N 2 0 358.530 3.225 20 0 FGADRP O=C(Nc1ccc2c(c1)C[NH2+]CC2)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000415880228 499923838 /nfs/dbraw/zinc/92/38/38/499923838.db2.gz FEDBQUHUQXWUPF-SFHVURJKSA-N 2 0 370.541 3.452 20 0 FGADRP Cc1ccc([C@H](CNC(=O)Nc2ccc3c(c2)C[NH2+]CC3)[NH+](C)C)cc1 ZINC000415884269 499924329 /nfs/dbraw/zinc/92/43/29/499924329.db2.gz PGUSLSSPKUXFGD-FQEVSTJZSA-N 2 0 352.482 3.065 20 0 FGADRP C[NH2+]Cc1ccccc1NC(=O)N[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000415898075 499925638 /nfs/dbraw/zinc/92/56/38/499925638.db2.gz GXGWXRJCRPGCGG-LPHOPBHVSA-N 2 0 352.482 3.363 20 0 FGADRP C[NH2+]Cc1ccccc1NC(=O)N1CC[N@H+](Cc2ccccc2)C[C@@H](C)C1 ZINC000415905505 499926481 /nfs/dbraw/zinc/92/64/81/499926481.db2.gz UXTPOSMMGWYYMW-GOSISDBHSA-N 2 0 366.509 3.392 20 0 FGADRP CC[NH2+]Cc1cccc(NC(=O)NCc2ccc(F)c(C[NH+](C)C)c2)c1 ZINC000415911660 499927331 /nfs/dbraw/zinc/92/73/31/499927331.db2.gz YOIYDXOMJPUBOP-UHFFFAOYSA-N 2 0 358.461 3.319 20 0 FGADRP CC[NH2+]Cc1cccc(NC(=O)NCCC[N@H+](C)Cc2ccccc2)c1 ZINC000415930781 499929633 /nfs/dbraw/zinc/92/96/33/499929633.db2.gz JOOKBZWFZPBZGB-UHFFFAOYSA-N 2 0 354.498 3.440 20 0 FGADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2cc(C[NH3+])cc(C(F)(F)F)c2)[C@@H](C)C1 ZINC000415954618 499932912 /nfs/dbraw/zinc/93/29/12/499932912.db2.gz KXFLEDOOJAOKHK-BLLLJJGKSA-N 2 0 372.435 3.358 20 0 FGADRP CC[NH+](CC)[C@H]1CCN(C(=O)Nc2cc(C[NH3+])cc(C(F)(F)F)c2)C1 ZINC000415955420 499933131 /nfs/dbraw/zinc/93/31/31/499933131.db2.gz MMDXQJWDUVRGQQ-HNNXBMFYSA-N 2 0 358.408 3.112 20 0 FGADRP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000415959479 499933649 /nfs/dbraw/zinc/93/36/49/499933649.db2.gz ZHYQCWLOIVPIFG-GFCCVEGCSA-N 2 0 372.435 3.358 20 0 FGADRP CC(C)(CNC(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1)C[NH+]1CCCC1 ZINC000415967989 499935116 /nfs/dbraw/zinc/93/51/16/499935116.db2.gz IPSIJOIQVRKXHO-UHFFFAOYSA-N 2 0 372.435 3.408 20 0 FGADRP C[C@@H](CNC(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1)[NH+]1CCC(C)CC1 ZINC000415978246 499936575 /nfs/dbraw/zinc/93/65/75/499936575.db2.gz XJDYAYPUZDJKHB-ZDUSSCGKSA-N 2 0 372.435 3.406 20 0 FGADRP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000421092798 499951054 /nfs/dbraw/zinc/95/10/54/499951054.db2.gz ODLYNVIDDWUMNW-FQEVSTJZSA-N 2 0 358.530 3.273 20 0 FGADRP C[C@H](CCNC(=O)NCC1CC[NH+](C2CC2)CC1)[N@H+](C)Cc1ccccc1 ZINC000428904666 499956024 /nfs/dbraw/zinc/95/60/24/499956024.db2.gz ICNXKCLGMXSJTK-GOSISDBHSA-N 2 0 372.557 3.071 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N1CCC([C@H]2[NH2+]CC2(C)C)CC1 ZINC000417047785 499957293 /nfs/dbraw/zinc/95/72/93/499957293.db2.gz QXXJUJYCLUAIPK-IEBWSBKVSA-N 2 0 364.578 3.061 20 0 FGADRP C[C@H](NC(=O)CC[N@@H+]1CCc2ccccc2C1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000416189163 499974279 /nfs/dbraw/zinc/97/42/79/499974279.db2.gz ACUNMJUDLDBMRT-ICSRJNTNSA-N 2 0 369.553 3.204 20 0 FGADRP C[NH+](C)[C@@H](CC(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000416214408 499983661 /nfs/dbraw/zinc/98/36/61/499983661.db2.gz BLAINYMJMCLCGC-IRLDBZIGSA-N 2 0 365.521 3.318 20 0 FGADRP C[C@@H]1CN(C(=O)c2cccc(C[N@H+](C)Cc3ccccc3)c2)CC[C@H]1[NH3+] ZINC000429192121 500022030 /nfs/dbraw/zinc/02/20/30/500022030.db2.gz ZGOFZFFCBLERKU-DYESRHJHSA-N 2 0 351.494 3.128 20 0 FGADRP CCCN1C[C@H](C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CC1=O ZINC000421351258 500023184 /nfs/dbraw/zinc/02/31/84/500023184.db2.gz MHQSVBUUBUQEHI-FNAHDJPLSA-N 2 0 369.553 3.135 20 0 FGADRP O=C(NCCC[NH+]1CCCC1)C1CC[NH+](Cc2cccc(C3CC3)c2)CC1 ZINC000421352084 500024163 /nfs/dbraw/zinc/02/41/63/500024163.db2.gz CUFWCEMFWGVFGS-UHFFFAOYSA-N 2 0 369.553 3.378 20 0 FGADRP CCc1ccccc1[C@@H]([NH3+])CNC(=O)NC[C@@H](c1ccco1)[NH+](CC)CC ZINC000417310165 500036453 /nfs/dbraw/zinc/03/64/53/500036453.db2.gz JOIGKBROYMNFJI-OALUTQOASA-N 2 0 372.513 3.224 20 0 FGADRP Cc1ccc([C@@H](CNC(=O)NCc2ccc([C@H](C)[NH3+])cc2)[NH+](C)C)cc1 ZINC000417311985 500036571 /nfs/dbraw/zinc/03/65/71/500036571.db2.gz MWSYFIGNXVWXKU-OXJNMPFZSA-N 2 0 354.498 3.117 20 0 FGADRP COc1cc2[nH+]ccc(N[C@H]3CC[N@H+](C)[C@@H](C)C3)c2cc1Br ZINC000425225414 500049502 /nfs/dbraw/zinc/04/95/02/500049502.db2.gz FVDRHQNUWRDGQY-RYUDHWBXSA-N 2 0 364.287 3.322 20 0 FGADRP COc1cc2[nH+]ccc(N3CC[C@H](C[NH+](C)C)C3)c2cc1Br ZINC000425249905 500056164 /nfs/dbraw/zinc/05/61/64/500056164.db2.gz UYKFWFFNXGDICS-GFCCVEGCSA-N 2 0 364.287 3.394 20 0 FGADRP CN(CC(C)(C)C[NH3+])C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000417385673 500056281 /nfs/dbraw/zinc/05/62/81/500056281.db2.gz XYHHKMOAYOVWJE-UHFFFAOYSA-N 2 0 360.546 3.189 20 0 FGADRP CC[N@H+](C)Cc1cccc(CNC(=O)NCc2ccc([C@@H](C)[NH3+])cc2)c1 ZINC000417396341 500059578 /nfs/dbraw/zinc/05/95/78/500059578.db2.gz FXOUJURWKZIVFX-MRXNPFEDSA-N 2 0 354.498 3.157 20 0 FGADRP CC[NH+](CC)CCOc1ccc(C(=O)NCc2ccc([C@@H](C)[NH3+])cc2)cc1 ZINC000429510896 500090658 /nfs/dbraw/zinc/09/06/58/500090658.db2.gz JNOLMDOLSLCAMF-QGZVFWFLSA-N 2 0 369.509 3.357 20 0 FGADRP C[C@H]([NH3+])c1ccc(CNC(=O)[C@@H]2CCC[N@H+](Cc3cccc(F)c3)C2)cc1 ZINC000429522625 500092682 /nfs/dbraw/zinc/09/26/82/500092682.db2.gz PVCMHJACPZFDRM-OXJNMPFZSA-N 2 0 369.484 3.374 20 0 FGADRP C[C@@H]1CC[C@H]([N@H+](C)CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)C1 ZINC000429585812 500108640 /nfs/dbraw/zinc/10/86/40/500108640.db2.gz UGWHXUFBPAPFMG-APWZRJJASA-N 2 0 361.555 3.294 20 0 FGADRP CC(C)(C)N1CC[C@H]([N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)C1=O ZINC000425485336 500120187 /nfs/dbraw/zinc/12/01/87/500120187.db2.gz TVZVEGKCUWWUKH-FQEVSTJZSA-N 2 0 369.553 3.374 20 0 FGADRP C[C@H]([NH3+])c1ccc(CNC(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)cc1 ZINC000417644549 500135883 /nfs/dbraw/zinc/13/58/83/500135883.db2.gz AJPUHKOZRFJMOM-UWJYYQICSA-N 2 0 366.509 3.170 20 0 FGADRP CC[NH+](CC)Cc1ccc(CNC(=O)NCc2ccc3c(c2)C[NH2+]C3)cc1 ZINC000416880416 500146533 /nfs/dbraw/zinc/14/65/33/500146533.db2.gz DYQUCNFTHQYIFL-UHFFFAOYSA-N 2 0 366.509 3.131 20 0 FGADRP CCC(CC)(CNC(=O)NCC1=CC[NH2+]CC1)[NH2+][C@@H](C)c1ccccc1 ZINC000417694965 500150199 /nfs/dbraw/zinc/15/01/99/500150199.db2.gz ATFUCQFJEKDDLO-KRWDZBQOSA-N 2 0 358.530 3.115 20 0 FGADRP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000417693508 500150281 /nfs/dbraw/zinc/15/02/81/500150281.db2.gz QKYOFVACBREGJU-ZEDDUWKQSA-N 2 0 370.541 3.136 20 0 FGADRP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)NCC2([NH3+])CCCCC2)CC1 ZINC000417696431 500151103 /nfs/dbraw/zinc/15/11/03/500151103.db2.gz VJSHWVAEEUWQJQ-KRWDZBQOSA-N 2 0 358.530 3.173 20 0 FGADRP CCC(CC)(CNC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1)[NH2+][C@@H](C)c1ccccc1 ZINC000417700976 500151973 /nfs/dbraw/zinc/15/19/73/500151973.db2.gz JFCRCYBHOUNKRP-DFQSSKMNSA-N 2 0 372.557 3.147 20 0 FGADRP C[C@@H]([NH2+]C1(CNC(=O)N(C2CC2)[C@@H]2CC[NH2+]C2)CCCC1)c1ccccc1 ZINC000417704149 500152345 /nfs/dbraw/zinc/15/23/45/500152345.db2.gz LVWWDOITOZIDDH-YLJYHZDGSA-N 2 0 370.541 3.186 20 0 FGADRP C[C@H]([NH2+]C1(CNC(=O)N(C2CC2)[C@@H]2CC[NH2+]C2)CCCC1)c1ccccc1 ZINC000417703666 500152693 /nfs/dbraw/zinc/15/26/93/500152693.db2.gz LVWWDOITOZIDDH-FXAWDEMLSA-N 2 0 370.541 3.186 20 0 FGADRP CCC(CC)(CNC(=O)N1CC[C@@](C)(C[NH3+])C1)[NH2+][C@@H](C)c1ccccc1 ZINC000417701992 500152896 /nfs/dbraw/zinc/15/28/96/500152896.db2.gz JZYADFJENSXQAO-PXNSSMCTSA-N 2 0 360.546 3.276 20 0 FGADRP COc1ccc([C@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CC[C@@H](O)C2)c(C)c1 ZINC000414104454 500154422 /nfs/dbraw/zinc/15/44/22/500154422.db2.gz FVXCVJRGMUYHKC-FXAWDEMLSA-N 2 0 354.494 3.421 20 0 FGADRP COc1cc(Cl)ccc1[C@H](C)[NH2+]CC1CC[NH+](CCN(C)C)CC1 ZINC000421823905 500159756 /nfs/dbraw/zinc/15/97/56/500159756.db2.gz FWXMTPKKBOFPPW-HNNXBMFYSA-N 2 0 353.938 3.273 20 0 FGADRP CCN1CC[NH+](CCCC[NH2+][C@H](c2ccc(OC)cc2F)C2CC2)CC1 ZINC000421820745 500159861 /nfs/dbraw/zinc/15/98/61/500159861.db2.gz NOTFNIPCIZXUNA-NRFANRHFSA-N 2 0 363.521 3.293 20 0 FGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H](c2ccc(OC)cc2F)C2CC2)CC1 ZINC000421824629 500160174 /nfs/dbraw/zinc/16/01/74/500160174.db2.gz JOYMULRYNQAXQV-IERDGZPVSA-N 2 0 363.521 3.149 20 0 FGADRP COC1([C@@H](C)[NH2+]CC2(N3CCCCC3)CC[NH+](C)CC2)CCCCC1 ZINC000421831119 500161418 /nfs/dbraw/zinc/16/14/18/500161418.db2.gz KYROZRGUGSYZSZ-LJQANCHMSA-N 2 0 351.579 3.264 20 0 FGADRP COC1([C@@H](C)[NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)CCCCC1 ZINC000421835342 500161855 /nfs/dbraw/zinc/16/18/55/500161855.db2.gz PVMDRZIZCCSMBG-GOSISDBHSA-N 2 0 360.542 3.471 20 0 FGADRP CC1CC[NH+](C[C@H]2CCCN(Cc3ccccc3C(=O)N(C)C)C2)CC1 ZINC000417741906 500161865 /nfs/dbraw/zinc/16/18/65/500161865.db2.gz AYDGXSVWPKNXCA-LJQANCHMSA-N 2 0 357.542 3.332 20 0 FGADRP C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)N3CC[C@@H](C)[C@H](C[NH3+])C3)cc2)C1 ZINC000416968517 500169265 /nfs/dbraw/zinc/16/92/65/500169265.db2.gz JHTUOBKJSDDJOG-DBXWQHBBSA-N 2 0 372.557 3.045 20 0 FGADRP C[C@H]([NH3+])C1CCN(C(=O)NCc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)CC1 ZINC000416968897 500169558 /nfs/dbraw/zinc/16/95/58/500169558.db2.gz BADPLZOGYSNKPW-ROUUACIJSA-N 2 0 372.557 3.330 20 0 FGADRP CCCN(C(=O)NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1)[C@@H]1CC[NH2+]C1 ZINC000416970118 500170130 /nfs/dbraw/zinc/17/01/30/500170130.db2.gz MTONODFEDALZRC-GHTZIAJQSA-N 2 0 372.557 3.202 20 0 FGADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000416969902 500170168 /nfs/dbraw/zinc/17/01/68/500170168.db2.gz LXRXOSMQACOONW-UHFFFAOYSA-N 2 0 366.509 3.129 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)NCC[C@H]2CCC[NH2+]2)cc1 ZINC000416977544 500173454 /nfs/dbraw/zinc/17/34/54/500173454.db2.gz QBYGTWJCUPAJFP-YLJYHZDGSA-N 2 0 358.530 3.002 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)NCC[C@H]2CCC[NH2+]C2)cc1 ZINC000416985559 500175746 /nfs/dbraw/zinc/17/57/46/500175746.db2.gz YOJBUPDOFZJIJT-RTBURBONSA-N 2 0 372.557 3.250 20 0 FGADRP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)N3CCC(C[NH3+])CC3)cc2)C1 ZINC000416987742 500176345 /nfs/dbraw/zinc/17/63/45/500176345.db2.gz KKPMMWJEYJTLMW-QZTJIDSGSA-N 2 0 372.557 3.045 20 0 FGADRP C[C@@H](CCCC[NH3+])NC(=O)NCc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000416990510 500177505 /nfs/dbraw/zinc/17/75/05/500177505.db2.gz NFFGSOKIVAOCNR-OTWHNJEPSA-N 2 0 374.573 3.481 20 0 FGADRP [NH3+]C1CCC(NC(=O)NC[C@@H](c2cccc(Cl)c2)[NH+]2CCCC2)CC1 ZINC000416998061 500179871 /nfs/dbraw/zinc/17/98/71/500179871.db2.gz OXEYXSWYCFKFFS-ABHNRTSZSA-N 2 0 364.921 3.046 20 0 FGADRP CC(C)C[C@H](CNC(=O)N1CC[C@H]([NH3+])[C@H](C)C1)[NH2+][C@@H](C)c1ccccc1 ZINC000417868178 500187567 /nfs/dbraw/zinc/18/75/67/500187567.db2.gz GANYJANCOYZIRZ-BWPNAZKDSA-N 2 0 360.546 3.131 20 0 FGADRP CC(C)C[C@H](CNC(=O)N1CC[C@H]([NH3+])[C@H](C)C1)[NH2+][C@H](C)c1ccccc1 ZINC000417868180 500187720 /nfs/dbraw/zinc/18/77/20/500187720.db2.gz GANYJANCOYZIRZ-LFGUQSLTSA-N 2 0 360.546 3.131 20 0 FGADRP CCCC[N@H+](CC)Cc1cccc(CNC(=O)N2CC[C@@H]([NH3+])[C@@H](C)C2)c1 ZINC000417870427 500188183 /nfs/dbraw/zinc/18/81/83/500188183.db2.gz FXXVAQKMPZVZDJ-FXAWDEMLSA-N 2 0 360.546 3.187 20 0 FGADRP COc1ccccc1-c1ncc(C[N@@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)cn1 ZINC000430077112 500189014 /nfs/dbraw/zinc/18/90/14/500189014.db2.gz GKADUIZYQDBKQZ-IBGZPJMESA-N 2 0 366.509 3.316 20 0 FGADRP CC(C)C[C@@H](CNC(=O)NC1CCC([NH3+])CC1)[NH2+][C@H](C)c1ccccc1 ZINC000417876845 500189962 /nfs/dbraw/zinc/18/99/62/500189962.db2.gz PIAZJFXGNPLBNQ-WQUXRXDGSA-N 2 0 360.546 3.321 20 0 FGADRP CC(C)C[C@@H](CNC(=O)NCCC1=CC[NH2+]CC1)[NH2+][C@@H](C)c1ccccc1 ZINC000417880003 500190308 /nfs/dbraw/zinc/19/03/08/500190308.db2.gz SCRBPMQRDGGGPH-RXVVDRJESA-N 2 0 372.557 3.361 20 0 FGADRP CC(C)C[C@H](CNC(=O)NCCC1=CC[NH2+]CC1)[NH2+][C@H](C)c1ccccc1 ZINC000417880004 500190377 /nfs/dbraw/zinc/19/03/77/500190377.db2.gz SCRBPMQRDGGGPH-WIYYLYMNSA-N 2 0 372.557 3.361 20 0 FGADRP CCCC[N@H+](CC)Cc1cccc(CNC(=O)N[C@H]2CC[NH2+][C@H](C)C2)c1 ZINC000417887194 500192599 /nfs/dbraw/zinc/19/25/99/500192599.db2.gz WWNWTAHIBZFBBF-XLIONFOSSA-N 2 0 360.546 3.248 20 0 FGADRP CCn1nncc1C[NH2+]CCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000417891353 500192764 /nfs/dbraw/zinc/19/27/64/500192764.db2.gz BXZYRDBFGPGVLQ-UHFFFAOYSA-N 2 0 355.530 3.123 20 0 FGADRP CCC1(CNC(=O)N2CCC[C@H]([NH2+]C)C2)CC[NH+](Cc2ccccc2)CC1 ZINC000417913792 500197305 /nfs/dbraw/zinc/19/73/05/500197305.db2.gz ACHYXKSHSJUJHT-FQEVSTJZSA-N 2 0 372.557 3.072 20 0 FGADRP C[N@@H+]1CC[C@H](NC(=O)N[C@@H](CCC[NH3+])c2ccccc2)[C@H]1c1ccccc1 ZINC000417950166 500203111 /nfs/dbraw/zinc/20/31/11/500203111.db2.gz VVXYHDUDNBCINY-PCCBWWKXSA-N 2 0 366.509 3.211 20 0 FGADRP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000417980050 500208585 /nfs/dbraw/zinc/20/85/85/500208585.db2.gz JSVUUSFWDXNMMP-SJORKVTESA-N 2 0 354.498 3.026 20 0 FGADRP COCC1(C[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CCOCC1 ZINC000425950066 500215631 /nfs/dbraw/zinc/21/56/31/500215631.db2.gz IRIVXZBTDZGXCO-YPAWHYETSA-N 2 0 372.553 3.320 20 0 FGADRP C[NH2+]C[C@H]1CCCN(C(=O)NCc2ccccc2C[NH+]2CCC(C)CC2)C1 ZINC000418060691 500223766 /nfs/dbraw/zinc/22/37/66/500223766.db2.gz CLPMZQVQKVTHNF-LJQANCHMSA-N 2 0 372.557 3.060 20 0 FGADRP C[C@@H]1C[C@@H](CCNC(=O)N(C)C[C@@H]2CCC[N@@H+]2C)C[NH+]1Cc1ccccc1 ZINC000422186683 500229565 /nfs/dbraw/zinc/22/95/65/500229565.db2.gz RTEUHSYUROVOIU-NRSPTQNISA-N 2 0 372.557 3.023 20 0 FGADRP C[C@@H](NC(=O)N(CCC[NH3+])CC1CCCC1)[C@H](c1ccccc1)[NH+](C)C ZINC000418175989 500242595 /nfs/dbraw/zinc/24/25/95/500242595.db2.gz GNDRHSKTYGPAAA-YLJYHZDGSA-N 2 0 360.546 3.228 20 0 FGADRP Cc1ccccc1[C@H]([C@H](C)NC(=O)N1CCC([C@H]2CCC[NH2+]2)CC1)[NH+](C)C ZINC000418182908 500244207 /nfs/dbraw/zinc/24/42/07/500244207.db2.gz NJVCOFLIOLPXHW-WMQCIHAUSA-N 2 0 372.557 3.160 20 0 FGADRP CCN1CCC([NH+]2CCC(C(=O)Nc3cccc4ccn(C)c43)CC2)CC1 ZINC000573385119 506184838 /nfs/dbraw/zinc/18/48/38/506184838.db2.gz OXEKUALFPIVKFP-UHFFFAOYSA-N 2 0 368.525 3.313 20 0 FGADRP CC(C)[C@@H]([NH3+])CC[N@H+](C)CCC(=O)Nc1ccc(Br)cc1 ZINC000430560690 500254979 /nfs/dbraw/zinc/25/49/79/500254979.db2.gz XHCLYRHDRJEKHV-HNNXBMFYSA-N 2 0 356.308 3.083 20 0 FGADRP CCC[C@@H]1CN(C(=O)N[C@H](C)[C@H]2CCC[NH2+]C2)CC[N@@H+]1Cc1ccccc1 ZINC000418338137 500264874 /nfs/dbraw/zinc/26/48/74/500264874.db2.gz JQBWIWQULIYJMC-HLAWJBBLSA-N 2 0 372.557 3.071 20 0 FGADRP CC1CC[NH+](C[C@H]2CCCN(C(=O)N[C@@H](C[NH3+])C3CCCCC3)C2)CC1 ZINC000418356464 500267611 /nfs/dbraw/zinc/26/76/11/500267611.db2.gz GRPKKBQETQKKAO-QUCCMNQESA-N 2 0 364.578 3.048 20 0 FGADRP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@H]1CCCCCC[C@H]1[NH3+] ZINC000430704600 500272534 /nfs/dbraw/zinc/27/25/34/500272534.db2.gz IQTWHEHSEOHBKZ-PCCBWWKXSA-N 2 0 357.542 3.265 20 0 FGADRP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@H]1CCCCCC[C@@H]1[NH3+] ZINC000430704598 500272658 /nfs/dbraw/zinc/27/26/58/500272658.db2.gz IQTWHEHSEOHBKZ-ACRUOGEOSA-N 2 0 357.542 3.265 20 0 FGADRP CC[NH+](CC)CCN(Cc1cccs1)C(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000418439117 500276789 /nfs/dbraw/zinc/27/67/89/500276789.db2.gz XZHBBPWQPUMBOJ-FUHWJXTLSA-N 2 0 366.575 3.119 20 0 FGADRP C[C@H]([NH3+])c1ccc(CNC(=O)N(Cc2ccco2)C2CC[NH+](C)CC2)cc1 ZINC000418459021 500279642 /nfs/dbraw/zinc/27/96/42/500279642.db2.gz ILDQJJIQVMQPCR-INIZCTEOSA-N 2 0 370.497 3.105 20 0 FGADRP C[C@H]([NH3+])c1ccc(CNC(=O)N[C@H](C[NH+](C)C)c2ccc(Cl)cc2)cc1 ZINC000418485316 500282006 /nfs/dbraw/zinc/28/20/06/500282006.db2.gz GXMPDEXKZXIABU-IFXJQAMLSA-N 2 0 374.916 3.462 20 0 FGADRP C[C@@H]1C[C@@H](C)[N@H+](CCC(=O)Nc2ccc(Br)cc2)C[C@H]1C[NH3+] ZINC000422640954 500285238 /nfs/dbraw/zinc/28/52/38/500285238.db2.gz WPTCEWPSBLNAHS-MGPQQGTHSA-N 2 0 368.319 3.083 20 0 FGADRP c1ccc(NCCCC[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)nc1 ZINC000422701665 500287384 /nfs/dbraw/zinc/28/73/84/500287384.db2.gz IYZZXPJXGJHFJS-WIYYLYMNSA-N 2 0 352.482 3.119 20 0 FGADRP [NH3+][C@H]1CCC[C@H]1[NH2+]CCSCCOc1cccc(Br)c1 ZINC000422710494 500287595 /nfs/dbraw/zinc/28/75/95/500287595.db2.gz LIROPMXJOHQYPP-LSDHHAIUSA-N 2 0 359.333 3.031 20 0 FGADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]Cc1cccc(NC(=O)C2CCCCC2)c1 ZINC000422712612 500288530 /nfs/dbraw/zinc/28/85/30/500288530.db2.gz IPWWZPVCRFSADA-CWFSZBLJSA-N 2 0 359.514 3.047 20 0 FGADRP [NH3+]CC1CCC([NH2+][C@@H]2CCN(c3ccccc3Br)C2)CC1 ZINC000422712731 500288554 /nfs/dbraw/zinc/28/85/54/500288554.db2.gz OOZHKEFWUAXWBF-YMAMQOFZSA-N 2 0 352.320 3.135 20 0 FGADRP C[C@H](CCCC[NH3+])[NH2+]Cc1cccc(NC(=O)NCc2ccncc2)c1 ZINC000422729525 500290652 /nfs/dbraw/zinc/29/06/52/500290652.db2.gz KSWGDLQYOPTHOZ-MRXNPFEDSA-N 2 0 355.486 3.010 20 0 FGADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]Cc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000422729022 500290683 /nfs/dbraw/zinc/29/06/83/500290683.db2.gz HDXCHXMSGBJAJV-WTOYTKOKSA-N 3 0 359.558 3.293 20 0 FGADRP COC[C@H](CCC[NH3+])[NH2+]CC1(c2ccc(Br)cc2)CCC1 ZINC000422729186 500290930 /nfs/dbraw/zinc/29/09/30/500290930.db2.gz BLNQFKZRPMUKNZ-INIZCTEOSA-N 2 0 355.320 3.214 20 0 FGADRP c1ccc2c(c1)O[C@@]1(CC[NH2+]C1)C[C@@H]2[NH2+]CCc1ccc2c(c1)CCO2 ZINC000422731659 500291542 /nfs/dbraw/zinc/29/15/42/500291542.db2.gz NVRRPSWGOWKVLI-UGKGYDQZSA-N 2 0 350.462 3.010 20 0 FGADRP C[C@@H]1Cc2ccccc2N1CC[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422752932 500294067 /nfs/dbraw/zinc/29/40/67/500294067.db2.gz BMSKUPDMCLBTBE-LLBVYWAGSA-N 2 0 363.505 3.283 20 0 FGADRP Fc1ccc(OCCC[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422780809 500296415 /nfs/dbraw/zinc/29/64/15/500296415.db2.gz KQMREXHXZKUWBH-CTNGQTDRSA-N 2 0 356.441 3.440 20 0 FGADRP Fc1ccc(OCCC[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422780811 500296608 /nfs/dbraw/zinc/29/66/08/500296608.db2.gz KQMREXHXZKUWBH-PZJWPPBQSA-N 2 0 356.441 3.440 20 0 FGADRP C[C@H]([NH2+]C1(CN[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)CCOCC1)c1ccccc1 ZINC000422773851 500296802 /nfs/dbraw/zinc/29/68/02/500296802.db2.gz ZKXRSJXRJVOBQW-WSWWRLHASA-N 2 0 371.569 3.397 20 0 FGADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]C[C@@H](CO)Cc1c(F)cccc1Cl ZINC000422797248 500298765 /nfs/dbraw/zinc/29/87/65/500298765.db2.gz LRMNXLHUQGUPOQ-UVFQYZLESA-N 2 0 364.892 3.178 20 0 FGADRP CCOC(=O)C1([C@H](C)[NH2+]Cc2c(OC)ccc3ccccc32)CC[NH2+]CC1 ZINC000422800295 500299922 /nfs/dbraw/zinc/29/99/22/500299922.db2.gz BCKBPUVBMRHUCS-INIZCTEOSA-N 2 0 370.493 3.259 20 0 FGADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]Cc1cccc(NC(=O)C2CCC2)c1 ZINC000422809030 500300612 /nfs/dbraw/zinc/30/06/12/500300612.db2.gz RDDCDBBSPTXNBU-AWEZNQCLSA-N 2 0 352.482 3.438 20 0 FGADRP c1ccc2c(c1)O[C@@]1(CC[NH2+]C1)C[C@H]2[NH2+]Cc1ccnc(N2CCCC2)c1 ZINC000422821937 500302616 /nfs/dbraw/zinc/30/26/16/500302616.db2.gz ZHUKEKSNUFMILL-KNQAVFIVSA-N 2 0 364.493 3.027 20 0 FGADRP O=C1CCCN1Cc1ccccc1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000422828736 500303616 /nfs/dbraw/zinc/30/36/16/500303616.db2.gz GQOMZXHREUBRAR-PCCBWWKXSA-N 2 0 355.526 3.209 20 0 FGADRP CCN(C(=O)NC[C@H]1CC[C@H](C[NH3+])CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000418667224 500304577 /nfs/dbraw/zinc/30/45/77/500304577.db2.gz MLVJJNNDNBHOBE-ZJOUEHCJSA-N 2 0 372.557 3.058 20 0 FGADRP [NH3+]CCC[C@H](NC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1)c1ccccc1 ZINC000418669727 500305147 /nfs/dbraw/zinc/30/51/47/500305147.db2.gz JTNRBDZLVXBKOO-UXHICEINSA-N 2 0 358.530 3.127 20 0 FGADRP CC[C@H](C(=O)N1CCC([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1)c1ccccc1 ZINC000422849990 500305512 /nfs/dbraw/zinc/30/55/12/500305512.db2.gz VLQBSOPJRBJUCJ-JKWVGCSGSA-N 2 0 355.526 3.044 20 0 FGADRP C[C@@H](NC(=O)C[NH+]1CCC([C@H](C)[NH3+])CC1)c1ccc(Cl)c(Cl)c1 ZINC000430914768 500305776 /nfs/dbraw/zinc/30/57/76/500305776.db2.gz ABLJYOPTMAFCHG-NWDGAFQWSA-N 2 0 358.313 3.230 20 0 FGADRP [NH3+]C[C@H]1CC[C@H](CNC(=O)N2CCC(CCC[NH+]3CCCC3)CC2)CC1 ZINC000418676315 500306159 /nfs/dbraw/zinc/30/61/59/500306159.db2.gz YUEDQXQPGMTNKQ-MXVIHJGJSA-N 2 0 364.578 3.049 20 0 FGADRP C[NH2+]CC1CC[NH+]([C@@H](C)C(=O)N[C@H](C)c2cccc3ccccc32)CC1 ZINC000430925721 500307820 /nfs/dbraw/zinc/30/78/20/500307820.db2.gz MDCQKUMCARQUSF-SJORKVTESA-N 2 0 353.510 3.337 20 0 FGADRP CC[C@@H]([NH3+])CNC(=O)N(CC[N@H+](C)Cc1ccccc1)Cc1ccccc1 ZINC000418687763 500308214 /nfs/dbraw/zinc/30/82/14/500308214.db2.gz AIJTWMKAXBHSJC-OAQYLSRUSA-N 2 0 368.525 3.068 20 0 FGADRP C[C@H](CCCC[NH3+])[NH2+]C[C@H](c1c(F)cccc1Cl)N1CCO[C@@H](C)C1 ZINC000422873657 500308943 /nfs/dbraw/zinc/30/89/43/500308943.db2.gz AXXCSFJLUSHDBI-RVKKMQEKSA-N 2 0 371.928 3.348 20 0 FGADRP C[C@H](CCCC[NH3+])[NH2+][C@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1 ZINC000422878600 500309628 /nfs/dbraw/zinc/30/96/28/500309628.db2.gz JIMRNPWBTBFSKS-RHSMWYFYSA-N 2 0 371.447 3.476 20 0 FGADRP C[C@@H]1CN(c2ccc(C[NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCCC[NH2+]3)cn2)C[C@H](C)O1 ZINC000422879399 500309841 /nfs/dbraw/zinc/30/98/41/500309841.db2.gz KIAXTYFFAMIKJD-LXDWIVHCSA-N 2 0 372.557 3.096 20 0 FGADRP Cc1ccc(CNC(=O)c2cccc(C[NH2+][C@H]3CCC[C@@H]3C[NH3+])c2)cc1 ZINC000422883289 500310235 /nfs/dbraw/zinc/31/02/35/500310235.db2.gz QJBXRZPAVVJZMM-RTWAWAEBSA-N 2 0 351.494 3.142 20 0 FGADRP COc1ccc(Cl)cc1C1(C[NH2+]C2CCC([NH3+])CC2)CCOCC1 ZINC000422896484 500312571 /nfs/dbraw/zinc/31/25/71/500312571.db2.gz AGIDXPLBMCADCS-UHFFFAOYSA-N 2 0 352.906 3.256 20 0 FGADRP Cc1ccc([C@@H](NC(=O)C[NH+]2CCC([C@@H](C)[NH3+])CC2)c2cccs2)cc1 ZINC000430956348 500313150 /nfs/dbraw/zinc/31/31/50/500313150.db2.gz OGPNTZPLDAPJHT-IIBYNOLFSA-N 2 0 371.550 3.321 20 0 FGADRP C[C@@H]([NH3+])C1CC[NH+](CC(=O)Nc2ccc(Oc3ccccc3)cc2)CC1 ZINC000430962716 500313493 /nfs/dbraw/zinc/31/34/93/500313493.db2.gz QYYWEWXTMLWQCH-MRXNPFEDSA-N 2 0 353.466 3.477 20 0 FGADRP C[C@@H]1CN(Cc2cccc(C[NH2+][C@@H]3CCC[C@@H]3[C@H]3CCCC[NH2+]3)c2)CCO1 ZINC000422903404 500313821 /nfs/dbraw/zinc/31/38/21/500313821.db2.gz OMRMMGSABLHUPM-RLLPEYFOSA-N 2 0 371.569 3.308 20 0 FGADRP C[NH2+]CC1CC[NH+](CC(=O)N[C@@H](c2ccccc2)C2CCCCC2)CC1 ZINC000430964710 500314415 /nfs/dbraw/zinc/31/44/15/500314415.db2.gz IVBFZNTVJLGGSX-QFIPXVFZSA-N 2 0 357.542 3.356 20 0 FGADRP Cc1ccc(NC(=O)COc2ccc(CC[NH2+][C@H]3CCC[C@H]3[NH3+])cc2)cc1 ZINC000422938476 500319794 /nfs/dbraw/zinc/31/97/94/500319794.db2.gz PPLPKUJSWVPSJC-RTWAWAEBSA-N 2 0 367.493 3.024 20 0 FGADRP CC[NH+]1CCN(Cc2ccc(NC(=O)[C@H]3CCCCCC[C@@H]3[NH3+])cc2)CC1 ZINC000431004414 500321025 /nfs/dbraw/zinc/32/10/25/500321025.db2.gz QZUYTNAIVUSWOM-SFTDATJTSA-N 2 0 372.557 3.060 20 0 FGADRP C[C@@H]1C[NH+](Cc2ccccc2C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)C[C@@H](C)O1 ZINC000422947427 500321582 /nfs/dbraw/zinc/32/15/82/500321582.db2.gz PZUVNBVDPJFRNI-UDMCKFQASA-N 3 0 371.569 3.306 20 0 FGADRP CCOC(=O)C1([C@H](C)[NH2+][C@@H]2CCc3cc(Cl)ccc32)CC[NH2+]CC1 ZINC000422945469 500321792 /nfs/dbraw/zinc/32/17/92/500321792.db2.gz NDFRKZBDVRSEPU-SUMWQHHRSA-N 2 0 350.890 3.238 20 0 FGADRP CC[C@@H]([NH2+]C[C@H]1CCN(c2ccc(Br)cc2)C1)[C@@H]1CCC[NH2+]1 ZINC000422951604 500322829 /nfs/dbraw/zinc/32/28/29/500322829.db2.gz ZHDRMVUJCLOYLY-OLMNPRSZSA-N 2 0 366.347 3.396 20 0 FGADRP c1cc(COC2CCOCC2)ccc1C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000422961886 500324633 /nfs/dbraw/zinc/32/46/33/500324633.db2.gz BLIZDWREQBOAIL-BHDDXSALSA-N 2 0 358.526 3.393 20 0 FGADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1ccc(N2CCc3ccccc3C2)nc1 ZINC000422972408 500325429 /nfs/dbraw/zinc/32/54/29/500325429.db2.gz LNBMCRKOHSDMRA-LAUBAEHRSA-N 2 0 350.510 3.122 20 0 FGADRP COc1cc([C@H](C)[NH2+][C@H](C)C[C@H]2CCCCC[NH2+]2)ccc1OCCO ZINC000422974239 500326273 /nfs/dbraw/zinc/32/62/73/500326273.db2.gz QPAYFABOTRGMMI-SOLBZPMBSA-N 2 0 350.503 3.028 20 0 FGADRP COc1ccc([C@H](C[NH2+][C@H](C)C[C@@H]2CCCCC[NH2+]2)N(C)C)cc1OC ZINC000422985484 500327199 /nfs/dbraw/zinc/32/71/99/500327199.db2.gz FAQYCUQZTIEJOE-NEWSRXKRSA-N 2 0 363.546 3.207 20 0 FGADRP CCOC(=O)C1([C@H](C)[NH2+]C[C@H](Nc2ccccc2)C(C)C)CC[NH2+]CC1 ZINC000422982376 500327452 /nfs/dbraw/zinc/32/74/52/500327452.db2.gz WLSJWMQTDPGZTL-HKUYNNGSSA-N 2 0 361.530 3.034 20 0 FGADRP CCOc1ccc(Cl)cc1CC[NH2+][C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC000423009325 500330444 /nfs/dbraw/zinc/33/04/44/500330444.db2.gz CPWOFYGWTAXPJA-RCCFBDPRSA-N 2 0 352.906 3.028 20 0 FGADRP CCOC(=O)C1([C@@H](C)[NH2+][C@@H](c2ccc(F)c(C)c2)C2CC2)CC[NH2+]CC1 ZINC000423012415 500331107 /nfs/dbraw/zinc/33/11/07/500331107.db2.gz KUTHTQORIGKNLN-DNVCBOLYSA-N 2 0 362.489 3.496 20 0 FGADRP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCCc1nc(-c2ccc(F)cc2)no1 ZINC000423035659 500333803 /nfs/dbraw/zinc/33/38/03/500333803.db2.gz SFYZKYHIRRCAGS-BEFAXECRSA-N 2 0 368.456 3.356 20 0 FGADRP FC(F)(F)COc1ccc(CC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)cn1 ZINC000423045057 500334382 /nfs/dbraw/zinc/33/43/82/500334382.db2.gz BHILSLLOLIJPSQ-ARFHVFGLSA-N 2 0 357.420 3.076 20 0 FGADRP C[C@H](N[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000423051039 500335729 /nfs/dbraw/zinc/33/57/29/500335729.db2.gz ZOMYQKVSCIBFDZ-LANGDILFSA-N 2 0 369.553 3.485 20 0 FGADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423050217 500335805 /nfs/dbraw/zinc/33/58/05/500335805.db2.gz YKRXFWOMJDSXPX-UWVAXJGDSA-N 3 0 352.526 3.410 20 0 FGADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]C[C@@]1(Cc2ccc(F)cc2)CCC[C@H]1O ZINC000423073793 500338560 /nfs/dbraw/zinc/33/85/60/500338560.db2.gz JWAFDKKQVHIDRP-QMZRJTEUSA-N 2 0 370.512 3.448 20 0 FGADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000423088069 500340493 /nfs/dbraw/zinc/34/04/93/500340493.db2.gz PJJWESIHSBROFK-LXZKKBNFSA-N 2 0 352.320 3.135 20 0 FGADRP C[C@@H](CCc1ccc(I)cc1)[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000423093117 500341252 /nfs/dbraw/zinc/34/12/52/500341252.db2.gz FUZZLIKQSNCNOC-XJKSGUPXSA-N 2 0 372.294 3.344 20 0 FGADRP CCOC(=O)C1([C@H](C)[NH2+][C@H](C)c2ccccc2SC)CC[NH2+]CC1 ZINC000423108820 500343146 /nfs/dbraw/zinc/34/31/46/500343146.db2.gz GNIGXGJVFMQLLR-CABCVRRESA-N 2 0 350.528 3.381 20 0 FGADRP CC(C)Cc1ccc([C@H](CN[C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)[NH+](C)C)cc1 ZINC000423136768 500347272 /nfs/dbraw/zinc/34/72/72/500347272.db2.gz ZHOOESGEJQZFIN-ODAXIHTASA-N 2 0 373.585 3.235 20 0 FGADRP c1ccc(C[N@H+]2CCCC[C@H](CN[C@@H]3CCOC[C@@H]3[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000423141781 500347761 /nfs/dbraw/zinc/34/77/61/500347761.db2.gz RUKFZTVCNZDTKB-BXXSPATCSA-N 3 0 371.569 3.035 20 0 FGADRP Cc1ccc(C[C@H](CO)C[NH2+][C@H]2CCCCC[C@H]2[NH3+])cc1Br ZINC000423151441 500348451 /nfs/dbraw/zinc/34/84/51/500348451.db2.gz DFABDDIFTGEGAI-JQHSSLGASA-N 2 0 369.347 3.158 20 0 FGADRP Cc1ccc(C[C@H](CO)C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])cc1Br ZINC000423169807 500350511 /nfs/dbraw/zinc/35/05/11/500350511.db2.gz ZZDVSYWVGOEPMZ-LZLYRXPVSA-N 2 0 369.347 3.016 20 0 FGADRP FC(F)(F)c1cccc([C@@H]2CCC[C@@H]2[NH2+]CCCN2CC[NH2+]CC2)c1 ZINC000423195571 500354403 /nfs/dbraw/zinc/35/44/03/500354403.db2.gz ZKYCGVKSDJVNCA-ROUUACIJSA-N 2 0 355.448 3.226 20 0 FGADRP C[NH2+]C[C@H](C)C[NH2+][C@H](c1cccc(Br)c1)C1CCOCC1 ZINC000423255445 500358749 /nfs/dbraw/zinc/35/87/49/500358749.db2.gz ABCJUBSPGAVDJS-GUYCJALGSA-N 2 0 355.320 3.362 20 0 FGADRP C[C@@H]([NH2+]CC[C@H]1CCC[NH2+]C1)c1ccccc1I ZINC000423264077 500359915 /nfs/dbraw/zinc/35/99/15/500359915.db2.gz XZXZRIHROPGVBP-CHWSQXEVSA-N 2 0 358.267 3.332 20 0 FGADRP Cc1ccccc1[C@@H](CN1CCOCC1)[NH2+]Cc1ccc([C@H](C)[NH3+])cc1 ZINC000423290051 500361792 /nfs/dbraw/zinc/36/17/92/500361792.db2.gz CCRFCIFLGUPOBG-PGRDOPGGSA-N 2 0 353.510 3.178 20 0 FGADRP CC(C)(C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]([NH3+])c1ccccc1 ZINC000423301039 500362203 /nfs/dbraw/zinc/36/22/03/500362203.db2.gz FEKPSDJUTNSKOS-UXHICEINSA-N 2 0 351.494 3.103 20 0 FGADRP CC(C)[C@H](C(=O)NC[C@H](c1cccs1)[NH+]1CCC(C)CC1)[C@H](C)[NH3+] ZINC000423311225 500363312 /nfs/dbraw/zinc/36/33/12/500363312.db2.gz SZIZUJBUPFMYQA-JZXOWHBKSA-N 2 0 351.560 3.257 20 0 FGADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000423363475 500367667 /nfs/dbraw/zinc/36/76/67/500367667.db2.gz JCXFGWRNXWHHFN-XNWPKKHHSA-N 2 0 351.485 3.311 20 0 FGADRP C[NH2+]CCc1ccccc1C(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000423376165 500368036 /nfs/dbraw/zinc/36/80/36/500368036.db2.gz KTLBFVPJCMBWTJ-IBGZPJMESA-N 2 0 357.542 3.177 20 0 FGADRP CC[C@H]([NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc(Cl)s1 ZINC000423371058 500368499 /nfs/dbraw/zinc/36/84/99/500368499.db2.gz AGFVZXIGHUNLIO-CMPLNLGQSA-N 2 0 355.857 3.278 20 0 FGADRP CC(C)[C@H]([NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc(F)c(F)c1 ZINC000423391011 500369727 /nfs/dbraw/zinc/36/97/27/500369727.db2.gz OYOSDJUXEDOZHS-CVEARBPZSA-N 2 0 365.390 3.088 20 0 FGADRP CCSc1ccccc1[C@@H](C)[NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000423399438 500370164 /nfs/dbraw/zinc/37/01/64/500370164.db2.gz WDUNNXBMFNSAFM-CJNGLKHVSA-N 2 0 361.477 3.285 20 0 FGADRP COC[C@@]1(CN[C@@H]2CCCc3cc(Br)ccc32)CCC[NH2+]1 ZINC000423410076 500371776 /nfs/dbraw/zinc/37/17/76/500371776.db2.gz CNCRRPKWWHJBPK-SJORKVTESA-N 2 0 353.304 3.185 20 0 FGADRP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@H]1[NH2+]CCCC1(C)C ZINC000423429207 500374489 /nfs/dbraw/zinc/37/44/89/500374489.db2.gz JZSKOYXEPWXYMK-VQTJNVASSA-N 2 0 357.542 3.135 20 0 FGADRP C[C@@H]([NH2+]C[C@H]1NCCc2ccccc21)c1cccc(OCC[NH+](C)C)c1 ZINC000423436653 500375036 /nfs/dbraw/zinc/37/50/36/500375036.db2.gz SYIKNIVCYVIJBJ-VGOFRKELSA-N 2 0 353.510 3.165 20 0 FGADRP CC(C)Cc1ccc([C@@H](C)[NH2+][C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)cc1 ZINC000423453902 500376195 /nfs/dbraw/zinc/37/61/95/500376195.db2.gz LCHWRHMTNVYZMZ-CNDZOEFASA-N 2 0 357.542 3.183 20 0 FGADRP C[C@@H]1C[C@H](N(C)C(=O)C[C@@H]2CCC[NH2+]CC2)CC[N@@H+]1Cc1ccccc1 ZINC000427275567 500376623 /nfs/dbraw/zinc/37/66/23/500376623.db2.gz PQCAYPKHOXGZIW-SFHLNBCPSA-N 2 0 357.542 3.278 20 0 FGADRP CC[NH+](CC)CCN(Cc1cccs1)C(=O)C[C@H]1CCC[NH2+]CC1 ZINC000427276938 500376712 /nfs/dbraw/zinc/37/67/12/500376712.db2.gz VXTLUBSVYBGENZ-KRWDZBQOSA-N 2 0 351.560 3.198 20 0 FGADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000423473759 500377525 /nfs/dbraw/zinc/37/75/25/500377525.db2.gz NYSALFQISCTVBC-NTSGDEEZSA-N 2 0 355.501 3.067 20 0 FGADRP Cc1nccn1-c1ccc([C@H](C)[NH2+]C2CCC([NH+]3CCNCC3)CC2)cc1 ZINC000423509021 500380334 /nfs/dbraw/zinc/38/03/34/500380334.db2.gz LBWKCXZISXAKLH-RPCJCACASA-N 2 0 367.541 3.048 20 0 FGADRP COCCC[C@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)c1ccc(F)cc1 ZINC000423514562 500381359 /nfs/dbraw/zinc/38/13/59/500381359.db2.gz UADATTYAYIJEOF-CBNMVNINSA-N 2 0 363.521 3.099 20 0 FGADRP Cc1cccnc1[C@H]1CCC[C@@H]([NH2+]C2CCC([NH+]3CCNCC3)CC2)C1 ZINC000423518356 500381569 /nfs/dbraw/zinc/38/15/69/500381569.db2.gz ZQANLUVHMVCQEZ-JJBAYQRUSA-N 2 0 356.558 3.222 20 0 FGADRP C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000423537008 500383823 /nfs/dbraw/zinc/38/38/23/500383823.db2.gz BPEXTKILMQVSOO-KLICCBINSA-N 2 0 363.933 3.055 20 0 FGADRP CC(C)n1cc([C@H](C)[NH2+]CC2(N)CC[NH+](Cc3ccccc3)CC2)cn1 ZINC000423564191 500384774 /nfs/dbraw/zinc/38/47/74/500384774.db2.gz LFMNGBHZACNNAR-SFHVURJKSA-N 2 0 355.530 3.108 20 0 FGADRP CC(C)CC[NH+]1CCC(CNC(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)CC1 ZINC000431618063 500399171 /nfs/dbraw/zinc/39/91/71/500399171.db2.gz PBYVSWMEHLDITD-HXUWFJFHSA-N 2 0 364.578 3.014 20 0 FGADRP C[C@H](C(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1)[C@@H]([NH3+])c1ccccc1 ZINC000423770151 500400390 /nfs/dbraw/zinc/40/03/90/500400390.db2.gz ZMLUPWVJEVQILZ-OXJNMPFZSA-N 2 0 357.473 3.052 20 0 FGADRP COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+]Cc2ccncc2OCC[NH+](C)C)cc1 ZINC000579520999 506193558 /nfs/dbraw/zinc/19/35/58/506193558.db2.gz NJKIAABJCALKFL-ZLGUVYLKSA-N 2 0 369.509 3.312 20 0 FGADRP CC(C)[N@@H+]1CCCN(C(=O)N[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000431675274 500406652 /nfs/dbraw/zinc/40/66/52/500406652.db2.gz XIYJVPGGFVKKBZ-TZIWHRDSSA-N 2 0 372.557 3.165 20 0 FGADRP CC[C@]1(C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)CCC[NH2+]1 ZINC000423897079 500417430 /nfs/dbraw/zinc/41/74/30/500417430.db2.gz HCEDBTFJYJIMHT-KCZVDYSFSA-N 2 0 355.526 3.032 20 0 FGADRP CCc1ccccc1[C@H]([NH3+])CNC(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000423943148 500421873 /nfs/dbraw/zinc/42/18/73/500421873.db2.gz QOFAFIQNHNHHMS-OAQYLSRUSA-N 2 0 351.494 3.275 20 0 FGADRP [NH3+][C@@H]1CCCC[C@@H]1CC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000573442787 506194959 /nfs/dbraw/zinc/19/49/59/506194959.db2.gz QNXPHPFTOOTCHP-CIAFKFPVSA-N 2 0 369.553 3.407 20 0 FGADRP Cc1cc(N2CCC[C@@H](n3cc(C[NH3+])nn3)C2)c2cc(Cl)cc(C)c2[nH+]1 ZINC000420285391 500433589 /nfs/dbraw/zinc/43/35/89/500433589.db2.gz OYUCGOQZTKKMBJ-MRXNPFEDSA-N 2 0 370.888 3.397 20 0 FGADRP CCC[N@H+](CC[C@H]1CCC[NH2+]C1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000420302901 500437364 /nfs/dbraw/zinc/43/73/64/500437364.db2.gz MSJRHMPQCXJJJH-LJQANCHMSA-N 2 0 357.542 3.393 20 0 FGADRP [NH3+]CC[C@H]1CCC[N@@H+]([C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)C1 ZINC000420312762 500438703 /nfs/dbraw/zinc/43/87/03/500438703.db2.gz OVRMFLGHALPRJQ-WBMJQRKESA-N 2 0 356.297 3.160 20 0 FGADRP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1ccnc(-c2ccc(Br)cc2)n1 ZINC000420309830 500438795 /nfs/dbraw/zinc/43/87/95/500438795.db2.gz FIVXDVYLNHVTOB-CHWSQXEVSA-N 2 0 361.287 3.075 20 0 FGADRP COc1ccc([C@H](C[NH3+])CN2CCC[N@H+](CC3CCCCC3)CC2)cc1 ZINC000420318484 500440907 /nfs/dbraw/zinc/44/09/07/500440907.db2.gz OCOFBBVSQMUAAZ-OAQYLSRUSA-N 2 0 359.558 3.326 20 0 FGADRP C[C@@H](CC(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000424039589 500441391 /nfs/dbraw/zinc/44/13/91/500441391.db2.gz ONUHVXOWGPNBHW-IBGZPJMESA-N 2 0 365.521 3.290 20 0 FGADRP C[NH+](C)[C@@H](CC(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000431903067 500441494 /nfs/dbraw/zinc/44/14/94/500441494.db2.gz MNKCMZOBCXPAST-VXKWHMMOSA-N 2 0 365.521 3.460 20 0 FGADRP CC[N@H+](CC[C@H]1CCC[NH2+]C1)CC(=O)Nc1ccccc1C(F)(F)F ZINC000420323361 500441659 /nfs/dbraw/zinc/44/16/59/500441659.db2.gz SZHLYUWJWNRODJ-CQSZACIVSA-N 2 0 357.420 3.356 20 0 FGADRP CC(C)[C@@H](NC(=O)C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1)c1ccc(F)cc1 ZINC000420333895 500442964 /nfs/dbraw/zinc/44/29/64/500442964.db2.gz GABLATJQJWWKHW-TZIWHRDSSA-N 2 0 361.505 3.103 20 0 FGADRP [NH3+]C[C@H]1C[N@H+](CCOc2cc(Cl)cc(Cl)c2)CC12CCOCC2 ZINC000420330964 500443063 /nfs/dbraw/zinc/44/30/63/500443063.db2.gz QIXFZOBOTTWBKE-ZDUSSCGKSA-N 2 0 359.297 3.060 20 0 FGADRP CC[C@@H](C(=O)N1CCC([C@@H]2[NH2+]CC2(C)C)CC1)[N@H+](C)Cc1ccccc1 ZINC000424048718 500443430 /nfs/dbraw/zinc/44/34/30/500443430.db2.gz ZICCUKFOFKLSKX-PMACEKPBSA-N 2 0 357.542 3.134 20 0 FGADRP CCN(C(=O)C[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)[C@@H](C)c1ccc(F)cc1 ZINC000420333209 500443504 /nfs/dbraw/zinc/44/35/04/500443504.db2.gz SMLMEKPFDHFJTB-UHOSZYNNSA-N 2 0 361.505 3.057 20 0 FGADRP Cc1ccc(F)c(N2CCC[C@@H]([NH+]3CCC([C@@H]4CCC[NH2+]4)CC3)C2=O)c1 ZINC000420343006 500445068 /nfs/dbraw/zinc/44/50/68/500445068.db2.gz YAIIVZGJQXXWES-RBUKOAKNSA-N 2 0 359.489 3.094 20 0 FGADRP C[C@H](C(=O)N1CCC[C@@H]1c1cccs1)[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000420345320 500445354 /nfs/dbraw/zinc/44/53/54/500445354.db2.gz VUNBUTHXPZSPBJ-BPQIPLTHSA-N 2 0 361.555 3.264 20 0 FGADRP CC[C@H]1c2ccsc2CCN1C(=O)C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000420344671 500445425 /nfs/dbraw/zinc/44/54/25/500445425.db2.gz UORREGAJLKXWDP-ROUUACIJSA-N 2 0 361.555 3.048 20 0 FGADRP O=C(CC[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)Nc1cccc2ccccc21 ZINC000420346975 500446344 /nfs/dbraw/zinc/44/63/44/500446344.db2.gz ZPJSQQMSTAYQJI-MOPGFXCFSA-N 2 0 351.494 3.490 20 0 FGADRP COc1ccc([C@@H](C[NH3+])CN2CCC[N@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000420362404 500448021 /nfs/dbraw/zinc/44/80/21/500448021.db2.gz ODAMJFPZOOIBGN-UGKGYDQZSA-N 2 0 367.537 3.334 20 0 FGADRP COc1ccc([C@H](C[NH3+])C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)cc1 ZINC000420370689 500449452 /nfs/dbraw/zinc/44/94/52/500449452.db2.gz YXHFZTKWTRJFIE-OAQYLSRUSA-N 3 0 359.558 3.326 20 0 FGADRP CC1CC[NH+](Cc2ccccc2C[NH2+][C@H]2CCN(C(C)(C)C)C2=O)CC1 ZINC000424114347 500455954 /nfs/dbraw/zinc/45/59/54/500455954.db2.gz QOHVSAIPRWYMDR-FQEVSTJZSA-N 2 0 357.542 3.408 20 0 FGADRP O=C(CC[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1)Nc1ccc(Cl)cc1F ZINC000420408232 500456867 /nfs/dbraw/zinc/45/68/67/500456867.db2.gz VWUJFIRJYDZWIE-CXAGYDPISA-N 2 0 353.869 3.272 20 0 FGADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NC[C@@H]1CCCC[NH+](Cc2ccccc2)C1 ZINC000428065479 500464490 /nfs/dbraw/zinc/46/44/90/500464490.db2.gz FNHBHPWABVPQBU-ZVDOUQERSA-N 2 0 357.542 3.278 20 0 FGADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)N[C@@H]1CC(C)(C)c2ccccc21 ZINC000432162997 500478669 /nfs/dbraw/zinc/47/86/69/500478669.db2.gz MOQMBYLTSHWVIE-HXUWFJFHSA-N 2 0 374.573 3.324 20 0 FGADRP CO[C@H]1C[C@H]2C[C@H]([NH2+]CCCN3CC[N@H+](C)C[C@H]3c3ccccc3)C[C@H]2C1 ZINC000424275149 500480013 /nfs/dbraw/zinc/48/00/13/500480013.db2.gz ZVVCOZQLYAMTKX-BUPNWXMQSA-N 2 0 371.569 3.158 20 0 FGADRP CO[C@H]1C[C@H]2C[C@@H]([NH2+]Cc3ccc(OCC[NH+]4CCCC4)cc3)C[C@H]2C1 ZINC000424323002 500486393 /nfs/dbraw/zinc/48/63/93/500486393.db2.gz VRVCYGRKOKUKTD-QJWCVOLQSA-N 2 0 358.526 3.454 20 0 FGADRP O[C@H](C[NH2+][C@@H]1CCCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21)COCC1CC1 ZINC000428244209 500486541 /nfs/dbraw/zinc/48/65/41/500486541.db2.gz XWZMXPFEQAJYSW-SSGKUCQKSA-N 2 0 372.553 3.054 20 0 FGADRP CC[NH2+]Cc1ccccc1NC(=O)c1ccc2c(ccn2CCC[NH3+])c1 ZINC000428306653 500494082 /nfs/dbraw/zinc/49/40/82/500494082.db2.gz QHVVHMSRCULZKW-UHFFFAOYSA-N 2 0 350.466 3.352 20 0 FGADRP COc1cccc(C[NH+]2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)c1OC(C)C ZINC000573460415 506199025 /nfs/dbraw/zinc/19/90/25/506199025.db2.gz FHJKLOJOYQLNSR-QUCCMNQESA-N 2 0 362.514 3.201 20 0 FGADRP C[NH+](C)C1CCC(NC(=O)NCc2ccccc2C[NH+]2CCCCC2)CC1 ZINC000420764966 500496376 /nfs/dbraw/zinc/49/63/76/500496376.db2.gz DOIQNRSYPOWSHI-UHFFFAOYSA-N 2 0 372.557 3.345 20 0 FGADRP CN(C[C@H]1CCC[N@@H+]1C)C(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000420784489 500500496 /nfs/dbraw/zinc/50/04/96/500500496.db2.gz GZFZOSFUQQQRKQ-OAQYLSRUSA-N 2 0 372.557 3.298 20 0 FGADRP C[C@@H]1C[C@H](NC(=O)NC2CCC([NH+](C)C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000420797164 500503432 /nfs/dbraw/zinc/50/34/32/500503432.db2.gz GQVDZBGHSZIZES-MAKTXDPSSA-N 2 0 372.557 3.212 20 0 FGADRP C[C@H]1C[N@H+](CCC[NH2+]Cc2c[nH]nc2-c2cccc(Cl)c2)CCCO1 ZINC000432356248 500504192 /nfs/dbraw/zinc/50/41/92/500504192.db2.gz HWOKJRRKYNVTIX-HNNXBMFYSA-N 2 0 362.905 3.321 20 0 FGADRP Cc1cc(C[NH3+])cc(NC(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000424432046 500504271 /nfs/dbraw/zinc/50/42/71/500504271.db2.gz HDLLPKNLBQQKKL-IBGZPJMESA-N 2 0 352.482 3.240 20 0 FGADRP Cc1cc(C[NH3+])cc(NC(=O)N2CCC[C@H](C[NH+]3CCC(C)CC3)C2)c1 ZINC000424441279 500505869 /nfs/dbraw/zinc/50/58/69/500505869.db2.gz WPKIWRDKSRVRMH-GOSISDBHSA-N 2 0 358.530 3.430 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000424451756 500507707 /nfs/dbraw/zinc/50/77/07/500507707.db2.gz FOCKATWEXBZOTI-NSISKUIASA-N 2 0 358.530 3.130 20 0 FGADRP CCNC(=O)C(C)(C)C[NH2+][C@@H]1CCCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000428457947 500512731 /nfs/dbraw/zinc/51/27/31/500512731.db2.gz IAJUZXYAETXXGG-PCCBWWKXSA-N 2 0 371.569 3.429 20 0 FGADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NC1CCC([NH+](C)C)CC1 ZINC000420895996 500525039 /nfs/dbraw/zinc/52/50/39/500525039.db2.gz IIIADHSTWDSFCG-UHFFFAOYSA-N 2 0 360.546 3.153 20 0 FGADRP C[C@H]([NH2+]Cc1cccc(CN2CCOCC2)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000420949490 500538800 /nfs/dbraw/zinc/53/88/00/500538800.db2.gz QHNVYSVDUIVSLF-SIKLNZKXSA-N 2 0 371.569 3.261 20 0 FGADRP CC[N@@H+]1CCCN(C(=O)NC[C@H](c2ccccc2)[NH+]2CCC(C)CC2)CC1 ZINC000428694403 500544840 /nfs/dbraw/zinc/54/48/40/500544840.db2.gz BDQCIDYOASVRGM-OAQYLSRUSA-N 2 0 372.557 3.197 20 0 FGADRP CC[C@@H]1CCC[C@H]1[NH2+]CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000432797965 500565252 /nfs/dbraw/zinc/56/52/52/500565252.db2.gz GXPLGZMUOUCQAI-WIYYLYMNSA-N 2 0 357.542 3.244 20 0 FGADRP CCC[NH+]1CCN(c2ccccc2CN2CCC[C@H]([NH+](C)C)CC2)CC1 ZINC000432796652 500565322 /nfs/dbraw/zinc/56/53/22/500565322.db2.gz BFQFGXUYCPHMNJ-NRFANRHFSA-N 2 0 358.574 3.135 20 0 FGADRP Cc1ccccc1C[C@H](C)[N@H+](C)CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000447406897 500601588 /nfs/dbraw/zinc/60/15/88/500601588.db2.gz XSUXBZRIIQSORV-UGKGYDQZSA-N 2 0 367.537 3.277 20 0 FGADRP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1CCC(=O)Nc1ccccc1Oc1ccccc1 ZINC000442759105 500620999 /nfs/dbraw/zinc/62/09/99/500620999.db2.gz KGBLOTJWSGHTKQ-IRXDYDNUSA-N 2 0 353.466 3.477 20 0 FGADRP C[C@H]([NH2+]CC1CC[NH+](C2CC2)CC1)c1ccc(-n2cncn2)cc1Cl ZINC000447560300 500624902 /nfs/dbraw/zinc/62/49/02/500624902.db2.gz WHZPWOACUYQLSX-AWEZNQCLSA-N 2 0 359.905 3.446 20 0 FGADRP C[C@@H](NC(=O)CCC[NH+]1CCC([NH3+])CC1)c1nc(-c2ccccc2)cs1 ZINC000433119199 500630196 /nfs/dbraw/zinc/63/01/96/500630196.db2.gz UHEQVYLLLFRKOF-OAHLLOKOSA-N 2 0 372.538 3.191 20 0 FGADRP Cc1ccc([C@H]2[C@@H](C)CCCN2C(=O)CCC[NH+]2CCC([NH3+])CC2)cc1 ZINC000433124299 500631646 /nfs/dbraw/zinc/63/16/46/500631646.db2.gz BASWBOKTYLJTPG-PGRDOPGGSA-N 2 0 357.542 3.498 20 0 FGADRP [NH3+]C1CC[NH+](CCCC(=O)NCC2CCC(c3ccccc3)CC2)CC1 ZINC000433129272 500632387 /nfs/dbraw/zinc/63/23/87/500632387.db2.gz YXRTYJIIVLDQON-UHFFFAOYSA-N 2 0 357.542 3.280 20 0 FGADRP CC1CC[NH+](Cc2ccc(NC(=O)CCC[NH+]3CCC([NH3+])CC3)cc2)CC1 ZINC000433139007 500633410 /nfs/dbraw/zinc/63/34/10/500633410.db2.gz VCQPAQBHVRWFLW-UHFFFAOYSA-N 3 0 372.557 3.060 20 0 FGADRP CC(C)(CNC(=O)CCC[NH+]1CCC([NH3+])CC1)c1c(F)cccc1Cl ZINC000433146909 500635259 /nfs/dbraw/zinc/63/52/59/500635259.db2.gz BHXWLNHBNRJANH-UHFFFAOYSA-N 2 0 369.912 3.076 20 0 FGADRP [NH3+]CC[C@H]1CCC[N@H+](Cc2cn(-c3ccccc3)nc2-c2ccncc2)C1 ZINC000442925107 500647680 /nfs/dbraw/zinc/64/76/80/500647680.db2.gz UGUGNMCLQPGNQX-GOSISDBHSA-N 2 0 361.493 3.495 20 0 FGADRP C[NH+](C)CCCOc1ccc(C[NH2+]Cc2ccnn2-c2ccccc2)cc1 ZINC000447930632 500691731 /nfs/dbraw/zinc/69/17/31/500691731.db2.gz MLSKVXFTZFYFGC-UHFFFAOYSA-N 2 0 364.493 3.493 20 0 FGADRP Cc1nn(C)c(C[NH2+]CCCC[NH+]2C[C@H](C)C[C@@H](C)C2)c1Br ZINC000447944133 500694029 /nfs/dbraw/zinc/69/40/29/500694029.db2.gz ZHVWNHBRAFEAGL-ZIAGYGMSSA-N 2 0 371.367 3.339 20 0 FGADRP CC[NH+](CC)Cc1ccccc1CNC(=O)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000433565947 500713785 /nfs/dbraw/zinc/71/37/85/500713785.db2.gz XROOXIJXWXFGNP-OAQYLSRUSA-N 2 0 372.557 3.345 20 0 FGADRP Cc1ccc([C@@H](CNC(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)[NH+]2CCCC2)o1 ZINC000433608407 500720831 /nfs/dbraw/zinc/72/08/31/500720831.db2.gz KDIDVRRNSBTLKE-RBUKOAKNSA-N 2 0 374.529 3.041 20 0 FGADRP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)NC[C@@H](c2ccsc2)[NH+](C)C)C1 ZINC000448209494 500733205 /nfs/dbraw/zinc/73/32/05/500733205.db2.gz RJHODYVXDSZYRV-WMZOPIPTSA-N 2 0 366.575 3.018 20 0 FGADRP Cc1ccc([C@@H](CNC(=O)NC[C@@H]2CCC[N@@H+](CC(C)C)C2)[NH+](C)C)cc1 ZINC000448215800 500733898 /nfs/dbraw/zinc/73/38/98/500733898.db2.gz ZTRHTDICBWLALF-PZJWPPBQSA-N 2 0 374.573 3.265 20 0 FGADRP C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000443644681 500748936 /nfs/dbraw/zinc/74/89/36/500748936.db2.gz AASLIKBWPPXGOQ-GHTZIAJQSA-N 2 0 372.557 3.154 20 0 FGADRP CCO[C@@H]1C[C@](CO)([NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3C)CC2)C1(C)C ZINC000438330764 500770913 /nfs/dbraw/zinc/77/09/13/500770913.db2.gz VTRSGCNLFBPGSW-WQZMEWCLSA-N 2 0 352.563 3.185 20 0 FGADRP CC(C)CN(CC[NH+](C)C)C(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000438347332 500774215 /nfs/dbraw/zinc/77/42/15/500774215.db2.gz SPGOMSIXFHKEMK-IBGZPJMESA-N 2 0 352.567 3.013 20 0 FGADRP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000438348437 500774352 /nfs/dbraw/zinc/77/43/52/500774352.db2.gz XKLCFBPEXLTDNB-XLIONFOSSA-N 2 0 364.578 3.155 20 0 FGADRP C[NH+](C)CCOc1ccc(C[NH2+]Cc2cnc(C(F)(F)F)s2)cc1 ZINC000443968541 500785122 /nfs/dbraw/zinc/78/51/22/500785122.db2.gz FHKXNCIIRLNVLT-UHFFFAOYSA-N 2 0 359.417 3.392 20 0 FGADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+]CCn2cnnc2C2CC2)CC1 ZINC000438833821 500824373 /nfs/dbraw/zinc/82/43/73/500824373.db2.gz HBAGSVVREIHHLD-UHFFFAOYSA-N 2 0 353.514 3.188 20 0 FGADRP Cc1cc(N2CCC([NH2+]C3CC[NH+]([C@@H]4CCC[C@@H](C)C4)CC3)CC2)n[nH]1 ZINC000439146046 500863822 /nfs/dbraw/zinc/86/38/22/500863822.db2.gz LADUXSVXIHBRPZ-OXQOHEQNSA-N 2 0 359.562 3.320 20 0 FGADRP CC(C)[C@H](c1ccc(F)cc1)[N@H+](C)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000434614520 500865751 /nfs/dbraw/zinc/86/57/51/500865751.db2.gz ABMWSBCLFJZIIC-OAQYLSRUSA-N 2 0 361.505 3.198 20 0 FGADRP CC1(C)CCC[N@H+](CCNC(=O)C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000444628837 500869818 /nfs/dbraw/zinc/86/98/18/500869818.db2.gz FBAAZYDGRHPIHI-UHFFFAOYSA-N 2 0 357.542 3.137 20 0 FGADRP CCN1CCC[C@@H](C[N@H+](C)CCOCCC(C)C)[C@@H]1c1cnn(C)c1 ZINC000434747097 500887923 /nfs/dbraw/zinc/88/79/23/500887923.db2.gz KZCGMINEXBKYHT-AZUAARDMSA-N 2 0 350.551 3.188 20 0 FGADRP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3cc4ccccc4cc3OC)C2)CC1 ZINC000449023803 500901145 /nfs/dbraw/zinc/90/11/45/500901145.db2.gz UZCGSESDWHDBTL-OAQYLSRUSA-N 2 0 353.510 3.060 20 0 FGADRP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]CCCOC[C@@H]2CCCO2)CC1 ZINC000449066529 500915875 /nfs/dbraw/zinc/91/58/75/500915875.db2.gz CNXDHEXCJGHCPP-KNQAVFIVSA-N 2 0 360.542 3.257 20 0 FGADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H](C)COc2ccc(Cl)c(Cl)c2)CC1 ZINC000449075668 500918920 /nfs/dbraw/zinc/91/89/20/500918920.db2.gz FVNJRDFHXZIPIU-CABCVRRESA-N 2 0 374.356 3.376 20 0 FGADRP COCC[N@H+](C)CCC[NH2+][C@H]1CCc2c1ccc(F)c2Br ZINC000449080826 500919334 /nfs/dbraw/zinc/91/93/34/500919334.db2.gz ZMFKFZGZEXKOMV-HNNXBMFYSA-N 2 0 359.283 3.133 20 0 FGADRP C[C@@H](C[NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)c1cc(F)cc(F)c1 ZINC000449083307 500921102 /nfs/dbraw/zinc/92/11/02/500921102.db2.gz SULCQHFXQWGAAP-HNNXBMFYSA-N 2 0 360.452 3.005 20 0 FGADRP C[C@H](Cc1ccoc1)[NH2+]CCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000449086244 500921447 /nfs/dbraw/zinc/92/14/47/500921447.db2.gz BKUDEVAQGOFXRE-HXUWFJFHSA-N 2 0 355.526 3.398 20 0 FGADRP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]CCNC(=O)c2cccs2)CC1 ZINC000449089905 500922258 /nfs/dbraw/zinc/92/22/58/500922258.db2.gz LSQDRMGHTTUVIL-QGZVFWFLSA-N 2 0 371.550 3.163 20 0 FGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+]C2CCC(OC3CCCC3)CC2)CC1 ZINC000449129338 500931344 /nfs/dbraw/zinc/93/13/44/500931344.db2.gz BRHHXZUYBIEQCY-LWEYNCJUSA-N 2 0 351.579 3.120 20 0 FGADRP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]C[C@H](CO)c2ccccc2)CC1 ZINC000449167635 500939074 /nfs/dbraw/zinc/93/90/74/500939074.db2.gz AVSIFXDSOLVJBJ-DENIHFKCSA-N 2 0 352.522 3.448 20 0 FGADRP COCC1CCC([NH2+]Cc2c(Cl)cccc2N2CC[NH+](C)CC2)CC1 ZINC000449172687 500940300 /nfs/dbraw/zinc/94/03/00/500940300.db2.gz WHIGGDMPWIIMCC-UHFFFAOYSA-N 2 0 365.949 3.387 20 0 FGADRP C[C@H](C[NH2+]C1CC[NH+](C2CCCC2)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000449184857 500943057 /nfs/dbraw/zinc/94/30/57/500943057.db2.gz NJDHSCCPOSBETG-MRXNPFEDSA-N 2 0 364.555 3.190 20 0 FGADRP COc1cc(C[NH2+]C2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)cc2ccccc21 ZINC000449183785 500943257 /nfs/dbraw/zinc/94/32/57/500943257.db2.gz CNGCHBUVTRIXQX-SFTDATJTSA-N 2 0 354.494 3.316 20 0 FGADRP COc1cc(C)ccc1C[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000449235666 500954598 /nfs/dbraw/zinc/95/45/98/500954598.db2.gz VHZZSPPUCRAVAR-NRFANRHFSA-N 2 0 354.494 3.250 20 0 FGADRP C[NH+]1CCN(CCC(C)(C)[NH2+]Cc2cc(F)cc(Br)c2)CC1 ZINC000449247059 500956771 /nfs/dbraw/zinc/95/67/71/500956771.db2.gz DSUZAPPYFUPQOY-UHFFFAOYSA-N 2 0 372.326 3.094 20 0 FGADRP Cc1cccn2cc(COc3ccc(C[N@H+]4C[C@H](C[NH3+])C[C@H]4C)cc3)nc12 ZINC000435375409 500962509 /nfs/dbraw/zinc/96/25/09/500962509.db2.gz UXIRBTGNXWXYOW-MJGOQNOKSA-N 2 0 364.493 3.391 20 0 FGADRP C[C@@H]([NH3+])C1CC[NH+](Cc2cc(Cl)ccc2OC[C@@H]2CCCO2)CC1 ZINC000435381442 500964201 /nfs/dbraw/zinc/96/42/01/500964201.db2.gz WJDSNBYZUMTZPU-KDOFPFPSSA-N 2 0 352.906 3.457 20 0 FGADRP C[C@@H]([NH3+])[C@H]1CCCN(Cc2cn(-c3cccc(Cl)c3Cl)nn2)C1 ZINC000435385875 500964911 /nfs/dbraw/zinc/96/49/11/500964911.db2.gz RYHDNAKTMLPPRN-NEPJUHHUSA-N 2 0 354.285 3.133 20 0 FGADRP C[NH2+]CC1CC[NH+](Cc2cc(OC)ccc2OCc2ccccn2)CC1 ZINC000435395359 500967277 /nfs/dbraw/zinc/96/72/77/500967277.db2.gz PJVHTZWMNQSPDZ-UHFFFAOYSA-N 2 0 355.482 3.101 20 0 FGADRP CCC[C@@H](C)C(=O)NCC[NH2+]C1CC[NH+]([C@H](C)Cc2ccccc2)CC1 ZINC000449338742 500981284 /nfs/dbraw/zinc/98/12/84/500981284.db2.gz HQQBKUCPEHSGIZ-RTBURBONSA-N 2 0 359.558 3.224 20 0 FGADRP CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000440191701 500986009 /nfs/dbraw/zinc/98/60/09/500986009.db2.gz VFTILHDMDNJIBX-FQEVSTJZSA-N 2 0 364.578 3.157 20 0 FGADRP COc1ccc(-c2nc(CN(C)[C@H]3CCC[NH2+]CC3)cs2)c(OC)c1 ZINC000435628346 501004599 /nfs/dbraw/zinc/00/45/99/501004599.db2.gz USYNZJQVAJACKD-HNNXBMFYSA-N 2 0 361.511 3.401 20 0 FGADRP c1csc(C[N@@H+](CCc2ccc3c(c2)CCO3)[C@H]2CC23CC[NH2+]CC3)n1 ZINC000435688496 501011917 /nfs/dbraw/zinc/01/19/17/501011917.db2.gz PUNXEZDIMFGWCG-IBGZPJMESA-N 2 0 369.534 3.265 20 0 FGADRP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@@H]([C@@H](CO)C2CC2)C2CC2)CC1 ZINC000449507053 501020543 /nfs/dbraw/zinc/02/05/43/501020543.db2.gz LMECCFCAEZQUNI-MQNAVGNWSA-N 2 0 356.554 3.469 20 0 FGADRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2cscc2Br)CC1 ZINC000449744030 501073253 /nfs/dbraw/zinc/07/32/53/501073253.db2.gz DDGBHDWVZWEHAM-UHFFFAOYSA-N 2 0 360.365 3.016 20 0 FGADRP CN(CC1([NH+](C)C)CCC1)C(=O)NC[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000445972477 501056666 /nfs/dbraw/zinc/05/66/66/501056666.db2.gz WMFOHYOAOJUQHA-NRFANRHFSA-N 2 0 372.557 3.167 20 0 FGADRP CN(CC1([NH+](C)C)CCC1)C(=O)NC[C@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000445972484 501057083 /nfs/dbraw/zinc/05/70/83/501057083.db2.gz WMUYJSZSBPVCHV-HXUWFJFHSA-N 2 0 372.557 3.023 20 0 FGADRP [NH3+]CCC(=O)NC[C@H]1CCCC[N@@H+]1Cc1sc2ccccc2c1Cl ZINC000436053610 501063629 /nfs/dbraw/zinc/06/36/29/501063629.db2.gz OKZXENGBAHKKMH-CYBMUJFWSA-N 2 0 365.930 3.374 20 0 FGADRP C[C@@H]1C[NH+](CC2CC[NH+](CCCC(=O)c3ccccc3)CC2)C[C@@H](C)O1 ZINC000450339483 501095010 /nfs/dbraw/zinc/09/50/10/501095010.db2.gz AQIOLTJJPIZOQR-RTBURBONSA-N 2 0 358.526 3.471 20 0 FGADRP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2CCCOc1cccc(Cl)c1 ZINC000441189360 501100565 /nfs/dbraw/zinc/10/05/65/501100565.db2.gz OAVHOXITDIURDO-NEWSRXKRSA-N 2 0 352.906 3.292 20 0 FGADRP C[C@H](c1ccccc1)N1CCN(C(=O)C[N@@H+]2CCC[C@@H]3CCC[C@H]32)CC1 ZINC000441438587 501139334 /nfs/dbraw/zinc/13/93/34/501139334.db2.gz RYRYEVISRSSYGB-HLAWJBBLSA-N 2 0 355.526 3.156 20 0 FGADRP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH+]2CCC[C@H]3CCC[C@H]32)CC1 ZINC000441449257 501141222 /nfs/dbraw/zinc/14/12/22/501141222.db2.gz IWGZCGFEKLMUAL-IFMALSPDSA-N 2 0 369.553 3.294 20 0 FGADRP C[C@H]1C[C@@H](N(C)C(=O)NCC2([NH+](C)C)CCC2)CC[N@@H+]1Cc1ccccc1 ZINC000446619622 501142809 /nfs/dbraw/zinc/14/28/09/501142809.db2.gz HTZJZRNWCIXOIK-ICSRJNTNSA-N 2 0 372.557 3.165 20 0 FGADRP Cc1cc(N2CCC[C@H]([NH2+]C3CC[NH+]([C@H]4CCC[C@@H](C)C4)CC3)C2)n(C)n1 ZINC000446840291 501171924 /nfs/dbraw/zinc/17/19/24/501171924.db2.gz YJXIHSANLARZRK-QMMLZNLJSA-N 2 0 373.589 3.330 20 0 FGADRP C[C@]1(O)CCC[NH+](Cc2cc(Cl)cc(C[N@H+]3CCC[C@](C)(O)C3)c2)C1 ZINC000450646909 501175529 /nfs/dbraw/zinc/17/55/29/501175529.db2.gz AMABJBQYIYCKST-PMACEKPBSA-N 2 0 366.933 3.034 20 0 FGADRP C[NH+](C)CCN(CC1CCCCC1)C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000446888715 501177546 /nfs/dbraw/zinc/17/75/46/501177546.db2.gz MGKHCMWZNNOQCW-UHFFFAOYSA-N 2 0 364.578 3.014 20 0 FGADRP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+][C@@H]2CCCN(c3ccnn3C)C2)CC1 ZINC000447066100 501199689 /nfs/dbraw/zinc/19/96/89/501199689.db2.gz JLWBWWVREFGAIW-MISYRCLQSA-N 2 0 359.562 3.022 20 0 FGADRP Cc1ncsc1C[NH+](C)C[C@@H]1CCN(C[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC000450878765 501222845 /nfs/dbraw/zinc/22/28/45/501222845.db2.gz TXOCNTBSNWZYNZ-RBUKOAKNSA-N 2 0 364.603 3.468 20 0 FGADRP CC(C)Oc1ccc2[nH+]ccc(N3CCC([N@@H+](C)C[C@H](C)O)CC3)c2c1 ZINC000450319465 501233241 /nfs/dbraw/zinc/23/32/41/501233241.db2.gz LVRQLZDHLBBKTI-INIZCTEOSA-N 2 0 357.498 3.303 20 0 FGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+][C@H](C)Cc2cnccn2)CC1 ZINC000453094061 501267555 /nfs/dbraw/zinc/26/75/55/501267555.db2.gz GKXLKMPLJIOEBW-IAGOWNOFSA-N 2 0 371.504 3.039 20 0 FGADRP CC[NH+](CC)Cc1cccc(CNC(=O)NCC[C@@H]2CCC[N@H+](C)C2)c1 ZINC000457655181 501279079 /nfs/dbraw/zinc/27/90/79/501279079.db2.gz CGIUKXWEDWEOTL-SFHVURJKSA-N 2 0 360.546 3.060 20 0 FGADRP CC(=O)N1CCC[C@H](C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)C1 ZINC000453211358 501291523 /nfs/dbraw/zinc/29/15/23/501291523.db2.gz HAGAULINZIZQTI-ACESQOTJSA-N 2 0 369.553 3.278 20 0 FGADRP c1nc2c([nH]1)C[C@H]([NH2+][C@H]1CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@@H]31)CC2 ZINC000453252985 501299991 /nfs/dbraw/zinc/29/99/91/501299991.db2.gz MYOWOBKDUGJDOV-IWQHBPENSA-N 2 0 350.510 3.300 20 0 FGADRP OCCCN1CCC[C@@H]([NH2+][C@H](c2cccc(OC(F)(F)F)c2)C2CC2)C1 ZINC000453282311 501307672 /nfs/dbraw/zinc/30/76/72/501307672.db2.gz DRUPFDGCTYXVKW-AEFFLSMTSA-N 2 0 372.431 3.473 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCO[C@H](c3cccnc3)C2)[C@H](C)C1 ZINC000453333495 501316487 /nfs/dbraw/zinc/31/64/87/501316487.db2.gz ITGAVRCJNYTOEI-PBASOCQRSA-N 2 0 361.530 3.028 20 0 FGADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CC[C@](C)(C(=O)OC(C)(C)C)C1 ZINC000453621033 501364008 /nfs/dbraw/zinc/36/40/08/501364008.db2.gz LPFNJKGZVLAPCW-FQEVSTJZSA-N 2 0 356.470 3.129 20 0 FGADRP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000455850316 501399966 /nfs/dbraw/zinc/39/99/66/501399966.db2.gz KRSVDQMUVFTNFI-YWZLYKJASA-N 2 0 358.530 3.430 20 0 FGADRP C[NH+](C)[C@@H]1CCc2cc(NC(=O)NCC3CC[NH+](C4CC4)CC3)ccc21 ZINC000455854032 501400331 /nfs/dbraw/zinc/40/03/31/501400331.db2.gz MVMULPHFYBYPFL-HXUWFJFHSA-N 2 0 356.514 3.231 20 0 FGADRP Cc1cc(NC(=O)c2ccccc2OCC[NH+](C)C)ccc1C[NH+](C)C ZINC000458277461 501410179 /nfs/dbraw/zinc/41/01/79/501410179.db2.gz IRCDYHCXKDMIIC-UHFFFAOYSA-N 2 0 355.482 3.249 20 0 FGADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CC[C@@]3(C2)CCC[NH+](C)C3)C1 ZINC000458373646 501429962 /nfs/dbraw/zinc/42/99/62/501429962.db2.gz IVOUPEILNNHVAI-NQIIRXRSSA-N 2 0 364.578 3.014 20 0 FGADRP CCc1ccc([C@@H](CNC(=O)N2CC[C@@H](C[NH+](C)C)C2)[NH+](CC)CC)cc1 ZINC000458792082 501532973 /nfs/dbraw/zinc/53/29/73/501532973.db2.gz LCNZSEIZVNQPCF-PZJWPPBQSA-N 2 0 374.573 3.225 20 0 FGADRP C[NH+](C)Cc1ccc(C(=O)N2CC[NH+](C(C)(C)CC(C)(C)C)CC2)cn1 ZINC000456694693 501579127 /nfs/dbraw/zinc/57/91/27/501579127.db2.gz BQYVCUZKFGZPKC-UHFFFAOYSA-N 2 0 360.546 3.116 20 0 FGADRP Cc1cc(C)c(CNC(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000454866383 501645816 /nfs/dbraw/zinc/64/58/16/501645816.db2.gz FDCNPMBHCQLLRB-IBGZPJMESA-N 2 0 352.482 3.020 20 0 FGADRP C[C@H]1C[C@@H](NC(=O)NCCCCC[NH+]2CCCC2)C[N@@H+]1Cc1ccccc1 ZINC000455115700 501690586 /nfs/dbraw/zinc/69/05/86/501690586.db2.gz MPQYPGQSTNKQGR-PZJWPPBQSA-N 2 0 372.557 3.215 20 0 FGADRP C[C@@H]1C[C@@H](NC(=O)NCCCCC[NH+]2CCCC2)C[N@@H+]1Cc1ccccc1 ZINC000455115701 501690658 /nfs/dbraw/zinc/69/06/58/501690658.db2.gz MPQYPGQSTNKQGR-TZIWHRDSSA-N 2 0 372.557 3.215 20 0 FGADRP COc1ccc(OCc2ccccn2)c(C[NH2+]CC[C@@H]2CCC[N@H+](C)C2)c1 ZINC000459734291 501706173 /nfs/dbraw/zinc/70/61/73/501706173.db2.gz OKSKPWIPSIPZNN-SFHVURJKSA-N 2 0 369.509 3.491 20 0 FGADRP CCC[NH+]1CCN(c2ccccc2C[NH2+]CC[C@H]2CCC[N@H+](C)C2)CC1 ZINC000459736664 501706311 /nfs/dbraw/zinc/70/63/11/501706311.db2.gz QIANSJNTBMLJFB-HXUWFJFHSA-N 3 0 358.574 3.040 20 0 FGADRP CCCC[N@H+](C)C[C@H](C)NC(=O)N[C@H]1CC[NH+]([C@@H](C)c2ccccc2)C1 ZINC000460107351 501727282 /nfs/dbraw/zinc/72/72/82/501727282.db2.gz IKJZPPMTXQEDCY-BJLQDIEVSA-N 2 0 360.546 3.242 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1[nH]c2ccc(C)cc2c1C ZINC000481286522 501733755 /nfs/dbraw/zinc/73/37/55/501733755.db2.gz CDZUECOVKGIJBS-SFHVURJKSA-N 2 0 370.541 3.273 20 0 FGADRP O=C(CCCC1CCCC1)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000463634572 501780419 /nfs/dbraw/zinc/78/04/19/501780419.db2.gz LJNVADGMSLAATB-UHFFFAOYSA-N 2 0 358.530 3.070 20 0 FGADRP Cc1cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)ccc1I ZINC000467381972 501781436 /nfs/dbraw/zinc/78/14/36/501781436.db2.gz OBPFMBHLBTZHGT-CABCVRRESA-N 2 0 370.278 3.316 20 0 FGADRP CN(C(=O)NCC1([NH+](C)C)CCCC1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000470748693 501791077 /nfs/dbraw/zinc/79/10/77/501791077.db2.gz YRSMOYWBEZKLBD-HXUWFJFHSA-N 2 0 372.557 3.167 20 0 FGADRP CCN1C[C@H]([NH2+]Cc2cccc(-c3nc(C(=O)OC)cs3)c2)[C@@H](C)C1 ZINC000477849874 501808024 /nfs/dbraw/zinc/80/80/24/501808024.db2.gz BNDZGRRHUXGWRL-BBRMVZONSA-N 2 0 359.495 3.027 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1CCCNC(=O)N[C@@H](c1nccn1C)c1ccccc1 ZINC000611728281 506274558 /nfs/dbraw/zinc/27/45/58/506274558.db2.gz KJABGMVLTASGBB-IEBWSBKVSA-N 2 0 369.513 3.073 20 0 FGADRP CCCC[N@H+](C)CCNC(=O)N(C)[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000470899348 501846099 /nfs/dbraw/zinc/84/60/99/501846099.db2.gz WZRBCCVHVGKGOG-HXUWFJFHSA-N 2 0 360.546 3.024 20 0 FGADRP C[C@H]([NH2+]CCCN1CC[NH+](Cc2ccccc2)CC1)C1CCSCC1 ZINC000474468167 501846057 /nfs/dbraw/zinc/84/60/57/501846057.db2.gz JRGKQTFYWVZPMR-IBGZPJMESA-N 2 0 361.599 3.316 20 0 FGADRP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)c1nc(C(F)(F)F)cs1 ZINC000467743216 501858941 /nfs/dbraw/zinc/85/89/41/501858941.db2.gz JDWSYIJTIQSPSK-NEPJUHHUSA-N 2 0 351.438 3.049 20 0 FGADRP C[C@H](NC(=O)[C@H]1CCC[N@@H+]1Cc1ccccc1)[C@H](c1ccccc1)[NH+](C)C ZINC000471140670 501932400 /nfs/dbraw/zinc/93/24/00/501932400.db2.gz CIBYANYPQQISLJ-VLCRHTCISA-N 2 0 365.521 3.459 20 0 FGADRP O[C@@H]1CC[N@H+](Cc2ccccc2C[NH2+][C@@H](c2cccnc2)C2CCC2)C1 ZINC000481995837 501939475 /nfs/dbraw/zinc/93/94/75/501939475.db2.gz XOOBCOOFZMMNDA-FGZHOGPDSA-N 2 0 351.494 3.279 20 0 FGADRP CC[NH+]1CCN(c2cccc(NC(=O)[C@H](C(C)C)[NH+]3CCCCC3)c2)CC1 ZINC000474832348 501965879 /nfs/dbraw/zinc/96/58/79/501965879.db2.gz PTMXIMDATRBXGG-NRFANRHFSA-N 2 0 372.557 3.278 20 0 FGADRP C[C@@H]1C[C@@H](NC(=O)NCC(C)(C)C[NH+]2CCCC2)C[N@@H+]1Cc1ccccc1 ZINC000478412572 501973864 /nfs/dbraw/zinc/97/38/64/501973864.db2.gz DHSNPPKJQDKBGP-UYAOXDASSA-N 2 0 372.557 3.071 20 0 FGADRP C[C@@H]([NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1)c1cc(F)cc(F)c1 ZINC000482119748 501980862 /nfs/dbraw/zinc/98/08/62/501980862.db2.gz MPCNVUUUGRTXCO-MRXNPFEDSA-N 2 0 360.452 3.223 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)CC[N@@H+]1CCc2ccccc2C1)c1ccco1 ZINC000471380782 502004818 /nfs/dbraw/zinc/00/48/18/502004818.db2.gz IREGTQUOTGQLHV-FQEVSTJZSA-N 2 0 369.509 3.227 20 0 FGADRP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000461259977 502054380 /nfs/dbraw/zinc/05/43/80/502054380.db2.gz GBWRDNQSILZXBF-NHCUHLMSSA-N 2 0 357.542 3.231 20 0 FGADRP CC(C)[C@@H]1CCC[C@H]1[NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000468426897 502056033 /nfs/dbraw/zinc/05/60/33/502056033.db2.gz FOIGPTMWYAMBGD-QHAWAJNXSA-N 2 0 357.542 3.298 20 0 FGADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1ccc(Br)c(F)c1 ZINC000471591920 502078563 /nfs/dbraw/zinc/07/85/63/502078563.db2.gz AZZFIZFACXKEES-KBPBESRZSA-N 2 0 372.326 3.265 20 0 FGADRP C[C@@H]([NH2+]CCCN1CCC[N@H+](C)CC1)c1ccc(OCC(F)(F)F)cc1 ZINC000482540808 502105052 /nfs/dbraw/zinc/10/50/52/502105052.db2.gz YVWSGFRFPLVFNL-MRXNPFEDSA-N 2 0 373.463 3.306 20 0 FGADRP CC[C@H]([NH2+][C@H](C)c1cc(F)ccc1N1CC[NH+](CC)CC1)[C@@H]1CCOC1 ZINC000482570522 502113928 /nfs/dbraw/zinc/11/39/28/502113928.db2.gz XSPDHRTWQSJNST-HLIPFELVSA-N 2 0 363.521 3.433 20 0 FGADRP C[C@H]1C[N@H+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)C[C@H](C2CC2)O1 ZINC000475277163 502115231 /nfs/dbraw/zinc/11/52/31/502115231.db2.gz DKAUNUALKUJAND-HTAPYJJXSA-N 2 0 357.542 3.216 20 0 FGADRP CC1CC[NH+](CC(=O)NC[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000461472132 502126732 /nfs/dbraw/zinc/12/67/32/502126732.db2.gz KQQFZFHVXROXBI-NRFANRHFSA-N 2 0 357.542 3.137 20 0 FGADRP C[C@@H]1CCC[C@@H](C)C1[NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000482634271 502133999 /nfs/dbraw/zinc/13/39/99/502133999.db2.gz SFQCDRUXFLOTDB-HLIPFELVSA-N 2 0 357.542 3.298 20 0 FGADRP CC[NH+]1CCC(NC(=O)C[N@H+](C)[C@@H]2CCC[C@H]2c2ccc(C)cc2)CC1 ZINC000464881100 502136333 /nfs/dbraw/zinc/13/63/33/502136333.db2.gz QTZRLDIFUTURTN-LEWJYISDSA-N 2 0 357.542 3.163 20 0 FGADRP [NH3+]C[C@H](Cc1ccccc1)[C@@H]1CCCCN1C(=O)C[C@H]([NH3+])c1ccccc1 ZINC000471791592 502138176 /nfs/dbraw/zinc/13/81/76/502138176.db2.gz WMKNAWCQAGTMSM-FKBYEOEOSA-N 2 0 365.521 3.275 20 0 FGADRP CCC[N@H+](CC)C[C@H](C)NC(=O)c1ccc(N2CC[NH+](C(C)C)CC2)cc1 ZINC000461643570 502160866 /nfs/dbraw/zinc/16/08/66/502160866.db2.gz RNNLTAMCXORISJ-IBGZPJMESA-N 2 0 374.573 3.067 20 0 FGADRP CC[C@@H](C(=O)N(Cc1ccncc1)C[C@@H]1CCC[N@@H+]1CC)[NH+](CC)CC ZINC000461642677 502160913 /nfs/dbraw/zinc/16/09/13/502160913.db2.gz NRWCFGBEQCCIMV-PMACEKPBSA-N 2 0 360.546 3.015 20 0 FGADRP CC[NH+]1CCN(c2ccc(NC(=O)[C@H](C)[NH2+]C(C)(C)CC)c(C)c2)CC1 ZINC000475401494 502161432 /nfs/dbraw/zinc/16/14/32/502161432.db2.gz WQYNXWIGDGFIHY-KRWDZBQOSA-N 2 0 360.546 3.242 20 0 FGADRP CCCN(CCC[NH+](C)C)C(=O)N[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000468749594 502169136 /nfs/dbraw/zinc/16/91/36/502169136.db2.gz NNUKJOXJVPCLQM-PZJWPPBQSA-N 2 0 374.573 3.270 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)[C@@H](C[NH3+])c1ccc(F)cc1)c1ccsc1 ZINC000479182912 502185059 /nfs/dbraw/zinc/18/50/59/502185059.db2.gz DAJUAXVAPOMCNK-ROUUACIJSA-N 2 0 363.502 3.129 20 0 FGADRP [NH3+]C[C@@H](C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1)c1ccc(F)cc1 ZINC000479195184 502189144 /nfs/dbraw/zinc/18/91/44/502189144.db2.gz ZWAYHMMBCBOAJX-HXUWFJFHSA-N 2 0 355.457 3.145 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccc(C)c(Cl)c1 ZINC000486580830 502197709 /nfs/dbraw/zinc/19/77/09/502197709.db2.gz PXCUOXZWFWTIFH-QGZVFWFLSA-N 2 0 351.922 3.137 20 0 FGADRP Oc1cc(F)cc(C[NH2+]CCCC[NH+]2CCN(Cc3ccccc3)CC2)c1 ZINC000472045222 502209404 /nfs/dbraw/zinc/20/94/04/502209404.db2.gz XZAZJZYKZBVWJF-UHFFFAOYSA-N 2 0 371.500 3.219 20 0 FGADRP CCN(CCC[NH+]1CCCC1)C(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000472089872 502227525 /nfs/dbraw/zinc/22/75/25/502227525.db2.gz XFZQUFPMCJCLKH-CTNGQTDRSA-N 2 0 372.557 3.024 20 0 FGADRP CCN(CCC[NH+]1CCCC1)C(=O)NC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000472117547 502238711 /nfs/dbraw/zinc/23/87/11/502238711.db2.gz JWUOJAAEOCUXLQ-LJQANCHMSA-N 2 0 360.546 3.024 20 0 FGADRP CC(C)OCC[C@@H](O)C[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000472163677 502254306 /nfs/dbraw/zinc/25/43/06/502254306.db2.gz ULMUYWFDUCMEKR-FGZHOGPDSA-N 2 0 360.542 3.151 20 0 FGADRP CC(C)[N@@H+](C)C[C@H](C)NC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000462009950 502271544 /nfs/dbraw/zinc/27/15/44/502271544.db2.gz MJCBMKMDAFAHFE-OALUTQOASA-N 2 0 352.567 3.013 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H](NC[C@H]2CCC[NH+]2Cc2ccccc2)[C@@H](C)C1 ZINC000483118236 502278846 /nfs/dbraw/zinc/27/88/46/502278846.db2.gz KIJZVHMMSBSZLD-WWNPGLIZSA-N 2 0 373.585 3.378 20 0 FGADRP CC[C@@H]1C[N@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)CC[C@H]1c1ccccc1 ZINC000472233001 502279792 /nfs/dbraw/zinc/27/97/92/502279792.db2.gz WCXORWOSEUPGCQ-XMSQKQJNSA-N 2 0 369.553 3.245 20 0 FGADRP CC(C)[C@@H](CNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)[NH+]1CCCCCC1 ZINC000465559641 502307953 /nfs/dbraw/zinc/30/79/53/502307953.db2.gz AODDKJNYVIYPIF-RAFMOHDBSA-N 2 0 364.578 3.202 20 0 FGADRP CCOc1c(Cl)cccc1C[NH2+]C1CCN(C2CC[NH+](C)CC2)CC1 ZINC000486945050 502312035 /nfs/dbraw/zinc/31/20/35/502312035.db2.gz PWSHGVZQDROVMB-UHFFFAOYSA-N 2 0 365.949 3.387 20 0 FGADRP Clc1ccsc1C[NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000486970395 502319338 /nfs/dbraw/zinc/31/93/38/502319338.db2.gz RFJDIECPOLHPCV-UHFFFAOYSA-N 2 0 350.919 3.098 20 0 FGADRP NC(=O)c1csc(C[N@@H+]2CCCC[C@H]2[C@@H](C[NH3+])Cc2ccccc2)c1 ZINC000472353928 502326038 /nfs/dbraw/zinc/32/60/38/502326038.db2.gz HEVYFDSPLMYFME-APWZRJJASA-N 2 0 357.523 3.019 20 0 FGADRP Cn1nnc2cc(C[N@@H+]3CCCC[C@@H]3[C@@H](C[NH3+])Cc3ccccc3)ccc21 ZINC000472370013 502332206 /nfs/dbraw/zinc/33/22/06/502332206.db2.gz OXGNYOXJNWNDNB-TZIWHRDSSA-N 2 0 363.509 3.140 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](C)c1ccc(C)cc1 ZINC000465653693 502338185 /nfs/dbraw/zinc/33/81/85/502338185.db2.gz FWJRXIHISBQRRT-ICSRJNTNSA-N 2 0 360.546 3.114 20 0 FGADRP CC(C)c1ccc(CC[NH2+]Cc2ccc(C(=O)NCC[NH+](C)C)cc2)cc1 ZINC000469220298 502340932 /nfs/dbraw/zinc/34/09/32/502340932.db2.gz XDZSATYDCKDDDM-UHFFFAOYSA-N 2 0 367.537 3.434 20 0 FGADRP CCCN(CC[NH+]1CCCC1)C(=O)NCCCC[N@@H+]1CCCC[C@@H]1C ZINC000479709877 502352838 /nfs/dbraw/zinc/35/28/38/502352838.db2.gz PRFLOMNUFHACRZ-IBGZPJMESA-N 2 0 352.567 3.158 20 0 FGADRP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1)C1(c2ccccc2)CCCC1 ZINC000476011713 502357226 /nfs/dbraw/zinc/35/72/26/502357226.db2.gz NWUJGZUZGWWNSU-OALUTQOASA-N 2 0 357.542 3.064 20 0 FGADRP CC[NH+](CC)[C@H](C)CNC(=O)N1CCC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000472467256 502361353 /nfs/dbraw/zinc/36/13/53/502361353.db2.gz YDCFWTOJQUJJLK-RTBURBONSA-N 2 0 360.546 3.023 20 0 FGADRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@H](C)c1cccc(NS(C)(=O)=O)c1 ZINC000479741385 502362556 /nfs/dbraw/zinc/36/25/56/502362556.db2.gz KMCBXSSJZWSTOA-HZPDHXFCSA-N 2 0 355.548 3.219 20 0 FGADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)NC2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC000465766858 502377641 /nfs/dbraw/zinc/37/76/41/502377641.db2.gz YBPGPCLTFPHGSA-HHXCZETCSA-N 2 0 370.541 3.136 20 0 FGADRP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCN(c3cccc(Br)c3)C2)[C@@H](C)C1 ZINC000483433406 502391524 /nfs/dbraw/zinc/39/15/24/502391524.db2.gz MSEZSIREMDLNAF-LESCRADOSA-N 2 0 366.347 3.348 20 0 FGADRP C[C@@H](C[NH+]1CCCCCC1)NC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000483630168 502447658 /nfs/dbraw/zinc/44/76/58/502447658.db2.gz XBWYQKITRCMJLC-FPOVZHCZSA-N 2 0 372.557 3.167 20 0 FGADRP CC(C)[C@H]1CN(C(=O)NCC(C)(C)[NH2+][C@@H](C)c2ccccc2)CC[N@@H+]1C ZINC000487471854 502452746 /nfs/dbraw/zinc/45/27/46/502452746.db2.gz QGLAUWPIILCXLC-PKOBYXMFSA-N 2 0 360.546 3.097 20 0 FGADRP CCC[NH+]1CCC(NC(=O)N2CC[C@H](C)[N@H+](Cc3ccccc3)CC2)CC1 ZINC000466121231 502482633 /nfs/dbraw/zinc/48/26/33/502482633.db2.gz UYFCCFIAKNUSMB-IBGZPJMESA-N 2 0 372.557 3.167 20 0 FGADRP C[C@H]([NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1)c1ccc(Cl)cn1 ZINC000480181275 502494092 /nfs/dbraw/zinc/49/40/92/502494092.db2.gz NSNQUHAFCBIJFC-INIZCTEOSA-N 2 0 350.938 3.336 20 0 FGADRP CCC[N@H+](CC)C[C@@H](C)NC(=O)N1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000462617572 502509013 /nfs/dbraw/zinc/50/90/13/502509013.db2.gz LHSKAEJWJPAAMV-AABGKKOBSA-N 2 0 366.594 3.403 20 0 FGADRP Cc1cccc2c(NCc3ccccc3C[N@@H+]3CC[C@H](O)C3)c(C)c[nH+]c12 ZINC000462687143 502533844 /nfs/dbraw/zinc/53/38/44/502533844.db2.gz BJHWHRBZEDYJTO-FQEVSTJZSA-N 2 0 361.489 3.452 20 0 FGADRP c1sc(-c2ccc3c(c2)OCO3)nc1C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000582606002 506322359 /nfs/dbraw/zinc/32/23/59/506322359.db2.gz COLJMKOOVQLNFX-MRXNPFEDSA-N 2 0 371.506 3.360 20 0 FGADRP OC1CC[NH+](Cc2ccccc2C[NH2+][C@@H]2CCC[C@@H]([C@H]3CCOC3)C2)CC1 ZINC000466345189 502542753 /nfs/dbraw/zinc/54/27/53/502542753.db2.gz DRCJVDDEZCBWHV-BVYCBKJFSA-N 2 0 372.553 3.328 20 0 FGADRP CCC[N@H+](CC)C[C@@H](C)NC(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000462714396 502545166 /nfs/dbraw/zinc/54/51/66/502545166.db2.gz FUMIIVZXIJKYNJ-LJQANCHMSA-N 2 0 374.573 3.413 20 0 FGADRP CCc1ccc([C@@H](CNC(=O)NC[C@@H]2CCCC[N@H+]2CC)[NH+](C)C)cc1 ZINC000476631422 502545313 /nfs/dbraw/zinc/54/53/13/502545313.db2.gz RLCPNFNSJPVJNH-VQTJNVASSA-N 2 0 360.546 3.025 20 0 FGADRP CC(C)N(CC[NH+](C)C)C(=O)NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000462740454 502554937 /nfs/dbraw/zinc/55/49/37/502554937.db2.gz BEVZWIKMWATZDC-NRFANRHFSA-N 2 0 374.573 3.270 20 0 FGADRP CC(C)c1cc(NC[C@H]2CC[N@H+](CCc3ccccc3)C2)nc(N(C)C)[nH+]1 ZINC000462815932 502586079 /nfs/dbraw/zinc/58/60/79/502586079.db2.gz KQNXHLHYUSQCPU-LJQANCHMSA-N 2 0 367.541 3.064 20 0 FGADRP CC[NH+](CC)CCOc1ccccc1-c1noc([C@H]2C[N@H+](C)C[C@@H]2C)n1 ZINC000462824290 502588252 /nfs/dbraw/zinc/58/82/52/502588252.db2.gz DTWCBUJUZPYWPK-RDJZCZTQSA-N 2 0 358.486 3.122 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1Nc1cccc(C[NH+]2CC[C@@H](O)C2)c1 ZINC000462860401 502602351 /nfs/dbraw/zinc/60/23/51/502602351.db2.gz FZORVWXDRFGWQN-YSZBQJHXSA-N 2 0 365.521 3.186 20 0 FGADRP C[NH+](C)CCN1CCC([NH2+]Cc2ccc(-c3cccc(F)c3F)o2)CC1 ZINC000480638055 502629101 /nfs/dbraw/zinc/62/91/01/502629101.db2.gz HATZQNWXCCAUPJ-UHFFFAOYSA-N 2 0 363.452 3.340 20 0 FGADRP Brc1cc(CN2CCC([C@@H]3CCC[NH2+]3)CC2)cc2c1OCO2 ZINC000470009886 502629082 /nfs/dbraw/zinc/62/90/82/502629082.db2.gz VEBNEBOJWILXAD-HNNXBMFYSA-N 2 0 367.287 3.142 20 0 FGADRP CCOc1c(Br)cc(C[NH+]2CCC([C@H](C)[NH3+])CC2)cc1OC ZINC000470015060 502631395 /nfs/dbraw/zinc/63/13/95/502631395.db2.gz JTWFYXJNHQUZCE-LBPRGKRZSA-N 2 0 371.319 3.416 20 0 FGADRP CC[NH+](CC)Cc1ccccc1CNC(=O)N1CC[C@@H]([NH+]2CCCC2)[C@H]1C ZINC000476962937 502634927 /nfs/dbraw/zinc/63/49/27/502634927.db2.gz PZOBSSKLZJGEDL-WIYYLYMNSA-N 2 0 372.557 3.297 20 0 FGADRP CC[NH+]1CCN(c2ccc(C[NH2+][C@H](C)c3cccc(OC)c3)cn2)CC1 ZINC000480703477 502648628 /nfs/dbraw/zinc/64/86/28/502648628.db2.gz YTYBLXBJLAKMMP-QGZVFWFLSA-N 2 0 354.498 3.083 20 0 FGADRP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+]2CC[C@@H](CC(C)C)C2)CC1 ZINC000466723843 502655624 /nfs/dbraw/zinc/65/56/24/502655624.db2.gz ZFJZJIDPIVSCAP-FQEVSTJZSA-N 2 0 371.569 3.444 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc(C)cc(Cl)c1 ZINC000477041819 502656830 /nfs/dbraw/zinc/65/68/30/502656830.db2.gz GMQWWVFXDSAVKO-GOSISDBHSA-N 2 0 351.922 3.137 20 0 FGADRP CC[NH+]1CCN(c2ccc(C[NH2+][C@H]3CS[C@@H](C(C)(C)C)C3)cn2)CC1 ZINC000488454134 502719028 /nfs/dbraw/zinc/71/90/28/502719028.db2.gz IFZFXCVHPBRZNV-QZTJIDSGSA-N 2 0 362.587 3.233 20 0 FGADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)N2CC[C@@H]([NH+]3CCCC3)[C@@H]2C)C1 ZINC000484719711 502719702 /nfs/dbraw/zinc/71/97/02/502719702.db2.gz OVRKZYOSAZUZNH-YXYSEUPNSA-N 2 0 370.541 3.090 20 0 FGADRP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)NC[C@]2(C)CCC[N@@H+]2Cc2ccccc2)C1 ZINC000488502413 502734273 /nfs/dbraw/zinc/73/42/73/502734273.db2.gz HWSMWTDUVXMJIT-SJBKTWHCSA-N 2 0 372.557 3.213 20 0 FGADRP C[C@@H](Oc1ccc(Cl)cc1Cl)[C@H](C)[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000481035412 502735185 /nfs/dbraw/zinc/73/51/85/502735185.db2.gz LAOXFEKTMFKPNU-GUTXKFCHSA-N 2 0 361.313 3.196 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H](NCC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)[C@@H](C)C1 ZINC000481033778 502735531 /nfs/dbraw/zinc/73/55/31/502735531.db2.gz HVDXLFVPOVCXEY-CGXNFDGLSA-N 2 0 367.622 3.470 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C)C[C@@H]1C ZINC000463262980 502739740 /nfs/dbraw/zinc/73/97/40/502739740.db2.gz BNNFLENKJAGAKG-JYAXBFRTSA-N 2 0 372.557 3.021 20 0 FGADRP C[C@@H]1C[C@@H](N(C)C(=O)c2ccc3c(c2)C[NH2+]C3)CC[N@@H+]1Cc1ccccc1 ZINC000470352618 502746314 /nfs/dbraw/zinc/74/63/14/502746314.db2.gz GOXMRBRFMOCVMZ-VGSWGCGISA-N 2 0 363.505 3.415 20 0 FGADRP C[C@H](C(=O)Nc1ccc2ccn(CC[NH+](C)C)c2c1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000463336140 502763223 /nfs/dbraw/zinc/76/32/23/502763223.db2.gz QAJYBNSRVAWARA-IXDOHACOSA-N 2 0 356.514 3.403 20 0 FGADRP C[NH+](C)CCc1ccc(CNC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)cc1 ZINC000467051615 502772098 /nfs/dbraw/zinc/77/20/98/502772098.db2.gz QLDPOUUTFPYDRZ-QFIPXVFZSA-N 2 0 365.521 3.072 20 0 FGADRP CCC(CC)[C@H](CNC(=O)NC1CC([NH+]2CCCCC2)C1)[NH+]1CCCC1 ZINC000474019110 502780489 /nfs/dbraw/zinc/78/04/89/502780489.db2.gz GIRBMRWMEMQRKM-MHJFOBGBSA-N 2 0 364.578 3.203 20 0 FGADRP O=C(C[NH2+][C@H]1CCCC[C@H]1Cc1ccccc1)NC1CC[NH+](C2CC2)CC1 ZINC000481207514 502783112 /nfs/dbraw/zinc/78/31/12/502783112.db2.gz XBKLAZBRLSQSBN-UGKGYDQZSA-N 2 0 369.553 3.121 20 0 FGADRP Cc1ccc(C[C@H]([NH2+]Cc2cccnc2N2CC[NH+](C)CC2)C(C)C)cc1 ZINC000481213996 502785583 /nfs/dbraw/zinc/78/55/83/502785583.db2.gz ZIRSVAMRFLOLEB-QFIPXVFZSA-N 2 0 366.553 3.499 20 0 FGADRP CC(C)[NH+](CCCNC(=O)NC[C@]1([NH+](C)C)CCC[C@@H](C)C1)C(C)C ZINC000470491361 502794597 /nfs/dbraw/zinc/79/45/97/502794597.db2.gz ZWQLFMKWKBWZJQ-QUCCMNQESA-N 2 0 354.583 3.305 20 0 FGADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)NC[C@H](C)[NH+](C)Cc1ccccc1 ZINC000501062265 502925786 /nfs/dbraw/zinc/92/57/86/502925786.db2.gz IKDDCNKACQAVQL-AZUAARDMSA-N 2 0 360.546 3.071 20 0 FGADRP C[NH+](C)CCCC1CCN(C(=O)NCCCCC[NH+]2CCCCC2)CC1 ZINC000501077069 502929842 /nfs/dbraw/zinc/92/98/42/502929842.db2.gz YGYGJERYBYXEDO-UHFFFAOYSA-N 2 0 366.594 3.406 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)N1CC[NH+](CC(C)C)CC1)c1ccsc1 ZINC000501111356 502941506 /nfs/dbraw/zinc/94/15/06/502941506.db2.gz VUDBWLOQTWFDCD-SFHVURJKSA-N 2 0 366.575 3.114 20 0 FGADRP CC(C)[C@H](CNC(=O)N1CCC[C@H]([NH+]2CCCC2)C1)[NH+]1CCC(C)CC1 ZINC000501150601 502949442 /nfs/dbraw/zinc/94/94/42/502949442.db2.gz NGWOWITWSVIKQN-PMACEKPBSA-N 2 0 364.578 3.013 20 0 FGADRP CC[NH+](CC)CCN(CC(C)C)C(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000501193356 502956599 /nfs/dbraw/zinc/95/65/99/502956599.db2.gz FPAPJOBFKLQZGT-UHFFFAOYSA-N 2 0 374.573 3.054 20 0 FGADRP C[C@H]([NH2+]C(C)(C)CNC(=O)N1CC[C@H]([NH+]2CCCC2)[C@@H]1C)c1ccccc1 ZINC000497457156 502964424 /nfs/dbraw/zinc/96/44/24/502964424.db2.gz CVRGFINDYOLQNT-BJLQDIEVSA-N 2 0 372.557 3.384 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@H](C)Sc1ccccc1 ZINC000505760527 502980415 /nfs/dbraw/zinc/98/04/15/502980415.db2.gz TWRNUXRYQSCCPF-ZWKOTPCHSA-N 2 0 363.571 3.042 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc2cccc(C)c2o1 ZINC000505801580 502988682 /nfs/dbraw/zinc/98/86/82/502988682.db2.gz KMVBTPINRXTQHQ-GOSISDBHSA-N 2 0 357.498 3.229 20 0 FGADRP C[N@@H+]1CC[C@H]([NH2+]Cc2cc(Cl)c3c(c2)OCCCO3)[C@@H]2CCC[C@H]21 ZINC000513667333 502995536 /nfs/dbraw/zinc/99/55/36/502995536.db2.gz QNILEKZDSYCMRV-BHYGNILZSA-N 2 0 350.890 3.464 20 0 FGADRP CS[C@H]1CCCC[NH+](CCOCC[N@H+]2CCCC[C@H](SC)C2)C1 ZINC000489619906 502999815 /nfs/dbraw/zinc/99/98/15/502999815.db2.gz INKFCXYUGKSHAZ-ROUUACIJSA-N 2 0 360.633 3.438 20 0 FGADRP C[NH+](Cc1cccc(C[N@@H+](C)[C@@H](CO)C(C)(C)C)c1)[C@@H](CO)C(C)(C)C ZINC000489686826 503011749 /nfs/dbraw/zinc/01/17/49/503011749.db2.gz RPCLDNABRSOZRC-PMACEKPBSA-N 2 0 364.574 3.364 20 0 FGADRP CC1CC[NH+](CCCCNC(=O)NC[C@H](c2ccsc2)[NH+](C)C)CC1 ZINC000501499244 503021728 /nfs/dbraw/zinc/02/17/28/503021728.db2.gz FDMCUWGQNWFONL-GOSISDBHSA-N 2 0 366.575 3.162 20 0 FGADRP C[NH+](C)[C@H](CNC(=O)NC[C@@H](c1cccs1)[NH+](C)C)c1ccsc1 ZINC000501520487 503027518 /nfs/dbraw/zinc/02/75/18/503027518.db2.gz FHTGNIQNCIBSBU-CABCVRRESA-N 2 0 366.556 3.014 20 0 FGADRP CC[NH+](CC)Cc1ccccc1CNC(=O)NC[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000501549966 503035453 /nfs/dbraw/zinc/03/54/53/503035453.db2.gz KCYRRFQQLYNZJX-MOPGFXCFSA-N 2 0 374.573 3.448 20 0 FGADRP CC(C)Oc1ccc2ccccc2c1C[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000489802188 503038919 /nfs/dbraw/zinc/03/89/19/503038919.db2.gz RJGQIPVHDNHPEM-IBGZPJMESA-N 2 0 353.510 3.107 20 0 FGADRP Cc1ccc2c(C[NH+]3CCC(CC[NH+]4CCOCC4)CC3)ccc(O)c2n1 ZINC000513897188 503043740 /nfs/dbraw/zinc/04/37/40/503043740.db2.gz MBXIZZGMMCQNLH-UHFFFAOYSA-N 2 0 369.509 3.183 20 0 FGADRP C[N@H+](CCCNC(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)C1CCCCC1 ZINC000501593057 503045341 /nfs/dbraw/zinc/04/53/41/503045341.db2.gz JVGGKWBSMFLJIV-FQEVSTJZSA-N 2 0 372.557 3.215 20 0 FGADRP CC[NH+](CC)CC1CC[NH+](C[C@H]2CCN(C(=O)c3ccccc3)C2)CC1 ZINC000513960422 503055472 /nfs/dbraw/zinc/05/54/72/503055472.db2.gz HNLUYOKCXVLIQG-HXUWFJFHSA-N 2 0 357.542 3.203 20 0 FGADRP C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)NCCC[N@H+](C)Cc2ccccc2)C1 ZINC000501734500 503069763 /nfs/dbraw/zinc/06/97/63/503069763.db2.gz OLPYDSVTLYFRES-PMACEKPBSA-N 2 0 374.573 3.176 20 0 FGADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)NCCC[NH+]2CCC(C)CC2)C1 ZINC000514028090 503072035 /nfs/dbraw/zinc/07/20/35/503072035.db2.gz ZOMSCIGTMKNWOR-TZIWHRDSSA-N 2 0 372.557 3.243 20 0 FGADRP CN(Cc1ccc(Cl)s1)C(=O)C[N@H+](CCC[NH3+])CC1CCCC1 ZINC000489955590 503075671 /nfs/dbraw/zinc/07/56/71/503075671.db2.gz KKRQJSCJUBHGOS-UHFFFAOYSA-N 2 0 357.951 3.201 20 0 FGADRP CC[C@H](CNC(=O)[C@@H](C)[NH+]1CCCCCC1)[N@@H+]1CCc2ccccc2C1 ZINC000510306294 503088428 /nfs/dbraw/zinc/08/84/28/503088428.db2.gz JHNXJHIXGSGQGG-WIYYLYMNSA-N 2 0 357.542 3.204 20 0 FGADRP C[C@H](NC(=O)NCC1(C[NH+](C)C)CCCC1)[C@H](c1ccccc1)[NH+](C)C ZINC000501955586 503116082 /nfs/dbraw/zinc/11/60/82/503116082.db2.gz JIBLPFODSNIMQQ-PKOBYXMFSA-N 2 0 360.546 3.099 20 0 FGADRP CCCC[NH+]1CCC(NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)CC1 ZINC000490167192 503121133 /nfs/dbraw/zinc/12/11/33/503121133.db2.gz GWVCZDAJVUUSNC-NQIIRXRSSA-N 2 0 372.557 3.213 20 0 FGADRP CC[N@@H+]1C[C@@H](C)N(C(=O)NCc2ccccc2C[NH+]2CCCCC2)C[C@H]1C ZINC000498257776 503144086 /nfs/dbraw/zinc/14/40/86/503144086.db2.gz FAYZUIJOGTUHIN-RTBURBONSA-N 2 0 372.557 3.297 20 0 FGADRP CC[N@@H+]1C[C@@H](C)N(C(=O)NCc2ccccc2C[NH+]2CCCCC2)C[C@@H]1C ZINC000498257775 503144275 /nfs/dbraw/zinc/14/42/75/503144275.db2.gz FAYZUIJOGTUHIN-RBUKOAKNSA-N 2 0 372.557 3.297 20 0 FGADRP C[C@H](NC(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1)[C@H](c1ccccc1)[NH+](C)C ZINC000498270601 503147514 /nfs/dbraw/zinc/14/75/14/503147514.db2.gz AQSOZFNSULSHOR-IOMROCGXSA-N 2 0 372.557 3.242 20 0 FGADRP Cc1ccccc1[C@@H]([C@@H](C)NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)[NH+](C)C ZINC000498403643 503179656 /nfs/dbraw/zinc/17/96/56/503179656.db2.gz WFCOHJSGRBPFAP-BAZKLHIFSA-N 2 0 372.557 3.301 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)NCC2([NH+](C)C)CCCC2)C1 ZINC000506934687 503197086 /nfs/dbraw/zinc/19/70/86/503197086.db2.gz PKQCQWPDQOEYGI-RTBURBONSA-N 2 0 364.578 3.157 20 0 FGADRP CC[NH+](CC)CC1CC[NH+](Cc2ccc(OC)c(OC)c2OC)CC1 ZINC000506943971 503198414 /nfs/dbraw/zinc/19/84/14/503198414.db2.gz JUKYNEHGGHEGBQ-UHFFFAOYSA-N 2 0 350.503 3.266 20 0 FGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]C/C(C)=C\c2ccccc2COC)CC1 ZINC000510845930 503203779 /nfs/dbraw/zinc/20/37/79/503203779.db2.gz PHMUYPVQXKMSID-STIKNRRDSA-N 2 0 359.558 3.100 20 0 FGADRP C[C@H](NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000490832769 503233345 /nfs/dbraw/zinc/23/33/45/503233345.db2.gz BKDPZWGWRYZMPN-RCZSKKKRSA-N 2 0 369.553 3.420 20 0 FGADRP C[C@H](NC(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000514948888 503233373 /nfs/dbraw/zinc/23/33/73/503233373.db2.gz BSGWOHWRPBKLJS-SESVDKBCSA-N 2 0 369.553 3.278 20 0 FGADRP C[C@H]1CCCC[NH+]1CCCNC(=O)NCCCC[N@H+]1CCCC[C@@H]1C ZINC000502874155 503295146 /nfs/dbraw/zinc/29/51/46/503295146.db2.gz DTXXMXPMKNRBKM-OALUTQOASA-N 2 0 352.567 3.205 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000502874918 503295624 /nfs/dbraw/zinc/29/56/24/503295624.db2.gz BGZIRKZGESIJBI-GOSISDBHSA-N 2 0 360.546 3.202 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)N1CC[NH+](C2CCC2)CC1)c1ccsc1 ZINC000502916398 503307347 /nfs/dbraw/zinc/30/73/47/503307347.db2.gz FVJBKDUHAFHMHD-SFHVURJKSA-N 2 0 364.559 3.011 20 0 FGADRP C[C@@H](C(=O)Nc1ccc(-c2c[nH]cn2)cc1)[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000503078846 503342948 /nfs/dbraw/zinc/34/29/48/503342948.db2.gz AEDWVFXGSLIBEY-INIZCTEOSA-N 2 0 369.513 3.067 20 0 FGADRP O=C1CCCCN1CCC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000499156385 503345480 /nfs/dbraw/zinc/34/54/80/503345480.db2.gz LFMUPMUGBYFKFV-MZADTFQBSA-N 2 0 355.526 3.174 20 0 FGADRP Fc1cccc(-c2noc([C@H]3CCC[N@H+](CC[C@H]4CCC[NH2+]C4)C3)n2)c1 ZINC000515623100 503375855 /nfs/dbraw/zinc/37/58/55/503375855.db2.gz WRPDZOVSCUCPPS-WBVHZDCISA-N 2 0 358.461 3.445 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CCc1ccccc1Cl ZINC000499496985 503418800 /nfs/dbraw/zinc/41/88/00/503418800.db2.gz GTKBKGQLLKLNJO-SFHVURJKSA-N 2 0 365.949 3.147 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccc(C(C)(C)C)cc1 ZINC000499505128 503420214 /nfs/dbraw/zinc/42/02/14/503420214.db2.gz BOKPZXCGGCVBKF-HXUWFJFHSA-N 2 0 359.558 3.472 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccc(Cl)c(Cl)c1 ZINC000499510601 503422139 /nfs/dbraw/zinc/42/21/39/503422139.db2.gz WXIMCVCZFYXRBJ-HNNXBMFYSA-N 2 0 372.340 3.482 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Cc1ccc2ccccc2c1 ZINC000499511984 503422149 /nfs/dbraw/zinc/42/21/49/503422149.db2.gz CUJWOMNDISUPIC-JOCHJYFZSA-N 2 0 367.537 3.257 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cccc(C(F)(F)F)c1 ZINC000499523105 503425028 /nfs/dbraw/zinc/42/50/28/503425028.db2.gz YVUFMWYHEVRALK-QGZVFWFLSA-N 2 0 371.447 3.194 20 0 FGADRP CCN(CCC[NH+](CC)CC)C(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000508207397 503453430 /nfs/dbraw/zinc/45/34/30/503453430.db2.gz WZHHLPCTKBMXTN-UHFFFAOYSA-N 2 0 359.558 3.479 20 0 FGADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)NCCC[NH2+]C2CCCCC2)C1 ZINC000516165053 503460055 /nfs/dbraw/zinc/46/00/55/503460055.db2.gz SZFWDQPLZDDHOY-NQIIRXRSSA-N 2 0 372.557 3.434 20 0 FGADRP CCc1ccc(C[NH2+]CCCC[NH+]2CCN(Cc3ccccc3)CC2)cn1 ZINC000512131704 503464991 /nfs/dbraw/zinc/46/49/91/503464991.db2.gz RXRBDWGGQNMRSL-UHFFFAOYSA-N 2 0 366.553 3.332 20 0 FGADRP C[C@H]([NH2+]C1(CNC(=O)N(C)CC[NH+]2CCCC2)CCCC1)c1ccccc1 ZINC000503733804 503466263 /nfs/dbraw/zinc/46/62/63/503466263.db2.gz FEORWVVKIVQVKE-IBGZPJMESA-N 2 0 372.557 3.387 20 0 FGADRP CC(C)[NH+](C)Cc1ccccc1CNC(=O)N[C@@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000516241257 503479314 /nfs/dbraw/zinc/47/93/14/503479314.db2.gz IDRVWHOXQKMODR-MOPGFXCFSA-N 2 0 374.573 3.446 20 0 FGADRP C[C@@H]1[C@@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000494058826 503480369 /nfs/dbraw/zinc/48/03/69/503480369.db2.gz GXZQMJMZHUROCF-JRGCBEDISA-N 2 0 355.526 3.173 20 0 FGADRP [NH3+]CCCn1ccc2cc(C(=O)Nc3ccc4c(c3F)CC[NH2+]C4)ccc21 ZINC000516431491 503511904 /nfs/dbraw/zinc/51/19/04/503511904.db2.gz USDRQJHPNZJGIO-UHFFFAOYSA-N 2 0 366.440 3.027 20 0 FGADRP Cc1nc2ccc(C[NH2+]Cc3ccnc(N4CC[NH+](C)CC4)c3)cc2s1 ZINC000494342858 503528628 /nfs/dbraw/zinc/52/86/28/503528628.db2.gz ZWGZSYSIZUIIEP-UHFFFAOYSA-N 2 0 367.522 3.041 20 0 FGADRP C[C@@H]1CCC[C@](CNC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)([NH+](C)C)C1 ZINC000516559054 503536622 /nfs/dbraw/zinc/53/66/22/503536622.db2.gz RLCPMDLDMXRPQX-LMNJBCLMSA-N 2 0 360.546 3.099 20 0 FGADRP CCC1(C[NH2+]CCCC[NH+]2CCN(Cc3ccccc3)CC2)CCOCC1 ZINC000512401856 503538290 /nfs/dbraw/zinc/53/82/90/503538290.db2.gz RPOUDHAFZCHGHN-UHFFFAOYSA-N 2 0 373.585 3.381 20 0 FGADRP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)[C@@H]2CCC[N@@H+]2C2CC2)C1 ZINC000494458446 503544943 /nfs/dbraw/zinc/54/49/43/503544943.db2.gz SASKSWXRAFIHSN-HMFYCAOWSA-N 2 0 369.553 3.408 20 0 FGADRP C[C@@H]1[C@H](NC(=O)NC2CCC(C[NH+](C)C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000500113461 503557162 /nfs/dbraw/zinc/55/71/62/503557162.db2.gz VCFVUVWWBDYDBC-WYNBGMTASA-N 2 0 372.557 3.069 20 0 FGADRP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000516682418 503568007 /nfs/dbraw/zinc/56/80/07/503568007.db2.gz KJNRIUQTFBNPTB-OTWHNJEPSA-N 2 0 364.578 3.013 20 0 FGADRP Cc1ccccc1[C@H]([C@H](C)NC(=O)N1CC[NH+](C2CCCC2)CC1)[NH+](C)C ZINC000508871248 503584190 /nfs/dbraw/zinc/58/41/90/503584190.db2.gz PFGCMYUDDDKKCS-RXVVDRJESA-N 2 0 372.557 3.256 20 0 FGADRP CC(C)(C)[C@@H](C[N@@H+]1CCc2ccccc2C1)NC(=O)CC[C@@H]1CCC[NH2+]1 ZINC000494654364 503584304 /nfs/dbraw/zinc/58/43/04/503584304.db2.gz NLDXEWQHELDGDP-VQTJNVASSA-N 2 0 357.542 3.108 20 0 FGADRP COCc1ccccc1/C=C(/C)C[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000508875630 503585140 /nfs/dbraw/zinc/58/51/40/503585140.db2.gz BMJVTKWLJNSNJO-DHHGSCCYSA-N 2 0 371.569 3.194 20 0 FGADRP C[NH+](C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)CC[C@@H]1CCC[NH2+]1 ZINC000494670525 503588864 /nfs/dbraw/zinc/58/88/64/503588864.db2.gz ZFGAUPYLXONORC-KRWDZBQOSA-N 2 0 371.447 3.128 20 0 FGADRP C[C@@H]1C[C@H](CCNC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)C[N@H+]1Cc1ccccc1 ZINC000512578289 503589095 /nfs/dbraw/zinc/58/90/95/503589095.db2.gz POJKTSWPOBQMFQ-HUUJSLGLSA-N 2 0 357.542 3.276 20 0 FGADRP Cc1ccccc1[C@H]([C@H](C)NC(=O)N1CC[C@@H]([NH+]2CCCC2)[C@@H]1C)[NH+](C)C ZINC000508903525 503595266 /nfs/dbraw/zinc/59/52/66/503595266.db2.gz YDGZWBFEGBKEGF-MMKMLUHNSA-N 2 0 372.557 3.254 20 0 FGADRP C[C@H](NC(=O)N1CC[NH+](C2CCCCC2)CC1)[C@@H](c1ccccc1)[NH+](C)C ZINC000508904091 503596297 /nfs/dbraw/zinc/59/62/97/503596297.db2.gz HFBXXTPQJKFIBJ-RXVVDRJESA-N 2 0 372.557 3.338 20 0 FGADRP CC[C@H]1CN(C(=O)CC[C@@H]2CCCC[NH+]2C)CC[N@@H+]1Cc1ccccc1 ZINC000504805869 503618025 /nfs/dbraw/zinc/61/80/25/503618025.db2.gz WYTILIKLSLACBI-SFTDATJTSA-N 2 0 357.542 3.374 20 0 FGADRP COCC[NH+](CCOC)C1CCN([C@@H]2CCc3ccc(Cl)cc32)CC1 ZINC000512853050 503645313 /nfs/dbraw/zinc/64/53/13/503645313.db2.gz ZNMXUPPWMUBGFY-HXUWFJFHSA-N 2 0 366.933 3.387 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@H](C)c1ccc(Cl)s1 ZINC000495118868 503673963 /nfs/dbraw/zinc/67/39/63/503673963.db2.gz JCBBIVCBZMNFFM-CABCVRRESA-N 2 0 371.978 3.380 20 0 FGADRP C[C@@H]([NH2+]CC1(C[NH+](C)C)CCCC1)[C@@H](c1ccccc1)N1CCOCC1 ZINC000546224878 503677088 /nfs/dbraw/zinc/67/70/88/503677088.db2.gz SFMUGXLFCSEVLO-CTNGQTDRSA-N 2 0 359.558 3.160 20 0 FGADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2cnc(-c3ccccn3)s2)C1 ZINC000536696944 503685061 /nfs/dbraw/zinc/68/50/61/503685061.db2.gz RHQKQPRZGOTUDC-INIZCTEOSA-N 2 0 360.527 3.138 20 0 FGADRP C[C@H]1C[C@H]([NH2+]Cc2ccnc(-n3cccn3)c2)CCN1Cc1ccccc1 ZINC000517255811 503694472 /nfs/dbraw/zinc/69/44/72/503694472.db2.gz XQRITVHZCBNRHW-GHTZIAJQSA-N 2 0 361.493 3.410 20 0 FGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCOc2ccc(F)c(F)c2)[C@H](C)C1 ZINC000540167747 503695787 /nfs/dbraw/zinc/69/57/87/503695787.db2.gz SHAUGUWETIXABW-DNVCBOLYSA-N 2 0 356.457 3.070 20 0 FGADRP C[NH+](C)CCNC(=O)c1ccc(C[NH2+][C@@H]2CCC[C@H]2c2ccccc2)cc1 ZINC000540175439 503697296 /nfs/dbraw/zinc/69/72/96/503697296.db2.gz IKCNHYWQMLTHSM-FCHUYYIVSA-N 2 0 365.521 3.404 20 0 FGADRP O[C@]1(C[NH2+]Cc2cccc(-c3cccnc3)c2)CCN(Cc2ccccc2)C1 ZINC000533187826 503754344 /nfs/dbraw/zinc/75/43/44/503754344.db2.gz SSPUCRZQYQGJNI-DEOSSOPVSA-N 2 0 373.500 3.475 20 0 FGADRP CC(C)CC[N@H+](CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)C1CC1 ZINC000533244019 503774651 /nfs/dbraw/zinc/77/46/51/503774651.db2.gz YUZSXDLIXNJQQK-UHFFFAOYSA-N 2 0 357.542 3.409 20 0 FGADRP CC[NH+](CC)C[C@H](C)NC(=O)NC[C@@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000517576316 503776129 /nfs/dbraw/zinc/77/61/29/503776129.db2.gz KEMUOGYGVJGOGV-HKUYNNGSSA-N 2 0 352.567 3.061 20 0 FGADRP O=C(NC[C@@H]1CC[N@@H+]1C1CCCC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000530025170 503798935 /nfs/dbraw/zinc/79/89/35/503798935.db2.gz PFGGYTKEBOIKGP-NRFANRHFSA-N 2 0 355.526 3.032 20 0 FGADRP C[C@H]1C[C@H]([NH2+]Cc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)C[C@@H](C)C1 ZINC000533361034 503817501 /nfs/dbraw/zinc/81/75/01/503817501.db2.gz SVSCVLLPPCTHOU-WGMWDUQUSA-N 2 0 357.542 3.427 20 0 FGADRP CCC1(CC)[C@H](OC)C[C@@H]1[NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000540593490 503826436 /nfs/dbraw/zinc/82/64/36/503826436.db2.gz HHXLZMFUEHVHBA-RBUKOAKNSA-N 2 0 351.579 3.120 20 0 FGADRP C[C@H]([NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1)c1cc2ccccc2s1 ZINC000517782679 503835845 /nfs/dbraw/zinc/83/58/45/503835845.db2.gz XCIBLKOWNWQYQF-AWEZNQCLSA-N 2 0 357.523 3.295 20 0 FGADRP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000543674757 503848580 /nfs/dbraw/zinc/84/85/80/503848580.db2.gz KUJWKCBKWUXSLG-WIYYLYMNSA-N 2 0 372.557 3.023 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1)CC(C)C ZINC000517913530 503865754 /nfs/dbraw/zinc/86/57/54/503865754.db2.gz KMRUTNPTJUXPNP-RTBURBONSA-N 2 0 354.583 3.163 20 0 FGADRP C[C@H](C[NH+]1CCCCC1)NC(=O)N1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000517917244 503867527 /nfs/dbraw/zinc/86/75/27/503867527.db2.gz BHJKTGZQAQANMM-LJQANCHMSA-N 2 0 372.557 3.167 20 0 FGADRP CC[NH+](CC)Cc1ccccc1CNC(=O)NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC000527648051 503875111 /nfs/dbraw/zinc/87/51/11/503875111.db2.gz DDMPZBGNCHVMNR-OAQYLSRUSA-N 2 0 372.557 3.345 20 0 FGADRP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(I)cc2)[C@@H](C)C1 ZINC000533532611 503879358 /nfs/dbraw/zinc/87/93/58/503879358.db2.gz OLOLUMAXBQMGBN-XJKSGUPXSA-N 2 0 372.294 3.453 20 0 FGADRP Brc1csc(C[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)c1 ZINC000530240495 503889985 /nfs/dbraw/zinc/88/99/85/503889985.db2.gz MDUKLNYSOYFKRA-AWEZNQCLSA-N 2 0 359.333 3.101 20 0 FGADRP FC(F)(F)COc1ccccc1C[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530242754 503890492 /nfs/dbraw/zinc/89/04/92/503890492.db2.gz UYAKWJWBUXMAIJ-KRWDZBQOSA-N 2 0 372.431 3.218 20 0 FGADRP CC(C)CC[NH+]1CCC(CNC(=O)NCC2(C[NH+](C)C)CCCC2)CC1 ZINC000546847987 503901535 /nfs/dbraw/zinc/90/15/35/503901535.db2.gz KSGKUFRQNQABFN-UHFFFAOYSA-N 2 0 366.594 3.166 20 0 FGADRP C[N@@H+]1CC[C@H](CNC(=O)C2(C[NH3+])CCCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000518167935 503919358 /nfs/dbraw/zinc/91/93/58/503919358.db2.gz RIFWSSNVPVVFJH-RHSMWYFYSA-N 2 0 367.896 3.107 20 0 FGADRP C[NH+]1CCC(CC[NH2+]Cc2cn(-c3ccc(Cl)cc3Cl)nn2)CC1 ZINC000533753109 503942780 /nfs/dbraw/zinc/94/27/80/503942780.db2.gz YDQIVXDFEJURJB-UHFFFAOYSA-N 2 0 368.312 3.396 20 0 FGADRP C[C@@H]1C[C@@H]([NH2+]CC(C)(C)C(=O)N2CCCC2)CCN1Cc1ccccc1 ZINC000527810699 503956214 /nfs/dbraw/zinc/95/62/14/503956214.db2.gz HLSKWDCUBNICTJ-QUCCMNQESA-N 2 0 357.542 3.278 20 0 FGADRP C[NH+](C)CCNC(=O)c1ccc(C[NH2+]C2CC(c3cccc(F)c3)C2)cc1 ZINC000543992838 503964630 /nfs/dbraw/zinc/96/46/30/503964630.db2.gz QVYMLJMHIJRIPM-UHFFFAOYSA-N 2 0 369.484 3.153 20 0 FGADRP CC(C)CN(CC[NH+](C)C)C(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000530602430 504023890 /nfs/dbraw/zinc/02/38/90/504023890.db2.gz VBVGDSNJBDTSIQ-GOSISDBHSA-N 2 0 368.953 3.172 20 0 FGADRP COC(=O)c1ccccc1C[NH+]1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000544144318 504026926 /nfs/dbraw/zinc/02/69/26/504026926.db2.gz RJEPWTLQBVPOIM-HDICACEKSA-N 2 0 374.525 3.185 20 0 FGADRP COCC[NH+]1CCC(N[C@@H](C[NH+](C)C)c2ccc(Cl)c(Cl)c2)CC1 ZINC000528006680 504037209 /nfs/dbraw/zinc/03/72/09/504037209.db2.gz FNRTZGXSVVUDHX-SFHVURJKSA-N 2 0 374.356 3.297 20 0 FGADRP COc1cccc([C@H](CNC(=O)c2ccc([C@H](C)[NH3+])cc2)[NH+]2CCCC2)c1 ZINC000518763230 504056101 /nfs/dbraw/zinc/05/61/01/504056101.db2.gz WZTTZKFTZAIKKU-KKSFZXQISA-N 2 0 367.493 3.282 20 0 FGADRP C[C@H](CCNC(=O)N[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)[NH+]1CCCCC1 ZINC000544286225 504073487 /nfs/dbraw/zinc/07/34/87/504073487.db2.gz IPJIXKLKHJSABN-SFHLNBCPSA-N 2 0 372.557 3.213 20 0 FGADRP C[C@H](CCNC(=O)NC[C@H](C)[N@H+](C)Cc1ccccc1)[NH+]1CCCCC1 ZINC000544303736 504079837 /nfs/dbraw/zinc/07/98/37/504079837.db2.gz SCKOXEDPRNAKGZ-MOPGFXCFSA-N 2 0 360.546 3.071 20 0 FGADRP CC[N@H+](CCC1CC[NH+](CC(=O)N2CCC(C)CC2)CC1)CC(C)C ZINC000537995582 504106255 /nfs/dbraw/zinc/10/62/55/504106255.db2.gz LSBQQNLKNQUVPV-UHFFFAOYSA-N 2 0 351.579 3.325 20 0 FGADRP C[C@@H]1CC[C@H]([NH2+]Cc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)[C@@H](C)C1 ZINC000544381940 504110380 /nfs/dbraw/zinc/11/03/80/504110380.db2.gz LFCOIDFMGXIUSX-LQWHRVPQSA-N 2 0 357.542 3.427 20 0 FGADRP CC(C)[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1ccc(Cl)cc1 ZINC000538098191 504133255 /nfs/dbraw/zinc/13/32/55/504133255.db2.gz CODQWDGUCRWJJF-FUHWJXTLSA-N 2 0 351.922 3.214 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)N2CCC[C@H]2C[NH+]2CCCC2)C1 ZINC000519176476 504157251 /nfs/dbraw/zinc/15/72/51/504157251.db2.gz ZCWDGEZVJKTQIR-OTWHNJEPSA-N 2 0 364.578 3.013 20 0 FGADRP C[C@@H]([NH2+]CCc1ccc(OCC[NH+]2C[C@@H](C)[C@H](C)C2)cc1)[C@@H]1CCOC1 ZINC000538198247 504158945 /nfs/dbraw/zinc/15/89/45/504158945.db2.gz VVLFXHVFVJGOQE-ANTGDGSKSA-N 2 0 360.542 3.210 20 0 FGADRP C[C@@H]([NH2+]CCc1ccc(OCC[NH+]2C[C@@H](C)[C@H](C)C2)cc1)[C@H]1CCOC1 ZINC000538198254 504159292 /nfs/dbraw/zinc/15/92/92/504159292.db2.gz VVLFXHVFVJGOQE-XCJLJZCSSA-N 2 0 360.542 3.210 20 0 FGADRP CCC[NH+]1CCC([NH2+]C2CCN(C(=O)CCc3ccccc3)CC2)CC1 ZINC000538208004 504161979 /nfs/dbraw/zinc/16/19/79/504161979.db2.gz MTRSGFHTHAVDGL-UHFFFAOYSA-N 2 0 357.542 3.074 20 0 FGADRP CC(C)[N@@H+]1CC[C@H](CNC(=O)NC[C@@]2(C)CCC[NH+]2Cc2ccccc2)C1 ZINC000547633602 504162763 /nfs/dbraw/zinc/16/27/63/504162763.db2.gz RWCNBDJVZJKSBW-IFMALSPDSA-N 2 0 372.557 3.071 20 0 FGADRP CC[NH+](CC)CC1CC[NH+]([C@H](C)C(=O)N2CCc3ccccc3C2)CC1 ZINC000519224237 504168836 /nfs/dbraw/zinc/16/88/36/504168836.db2.gz YHDSCGNEQYGLSM-GOSISDBHSA-N 2 0 357.542 3.014 20 0 FGADRP C[NH+](C)CCOc1ccccc1C[NH2+][C@@H]1CCC(=O)Nc2ccccc21 ZINC000541547391 504172114 /nfs/dbraw/zinc/17/21/14/504172114.db2.gz GMGVSFUOASWDHP-GOSISDBHSA-N 2 0 353.466 3.190 20 0 FGADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(C[NH2+][C@@H](Cc2ccccc2)C(N)=O)cc1 ZINC000544640876 504202058 /nfs/dbraw/zinc/20/20/58/504202058.db2.gz LYFSGLWLHRVOEW-AVRDEDQJSA-N 2 0 365.521 3.247 20 0 FGADRP CC(C)[N@H+](C)CC1CCN(C(=O)NC2CC[NH+](C3CCCC3)CC2)CC1 ZINC000531138897 504202594 /nfs/dbraw/zinc/20/25/94/504202594.db2.gz CVKZAUPNIJMFIP-UHFFFAOYSA-N 2 0 364.578 3.155 20 0 FGADRP CC[NH+](CC)CC1CCN(C(=O)NCC[N@H+]2[C@H](C)CCC[C@@H]2C)CC1 ZINC000519388433 504209003 /nfs/dbraw/zinc/20/90/03/504209003.db2.gz MWJTUCONKBNLMC-HDICACEKSA-N 2 0 352.567 3.013 20 0 FGADRP C[C@@H](C(=O)Nc1cc(F)ccc1F)N1CC[C@@H](n2cnc3c2CCCC3)C1 ZINC000519517770 504236914 /nfs/dbraw/zinc/23/69/14/504236914.db2.gz HYQMRXIOZLJJOW-DZGCQCFKSA-N 2 0 374.435 3.314 20 0 FGADRP C[C@@H]1C[C@H]1c1ccc(C[NH2+]CC2CC[NH+](CC(=O)NC(C)(C)C)CC2)o1 ZINC000538413177 504239912 /nfs/dbraw/zinc/23/99/12/504239912.db2.gz ZGJXKSWMISYMFG-CRAIPNDOSA-N 2 0 361.530 3.119 20 0 FGADRP C[C@@H]1CCN(C(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)C[C@H]1C[NH3+] ZINC000519529665 504242180 /nfs/dbraw/zinc/24/21/80/504242180.db2.gz IKNDVKUTRWMLOL-WIYYLYMNSA-N 2 0 372.557 3.189 20 0 FGADRP CC[NH+](CC)[C@H]1CCN(C(=O)NC[C@H](c2ccc(Cl)cc2)[NH+](C)C)C1 ZINC000531317762 504262795 /nfs/dbraw/zinc/26/27/95/504262795.db2.gz AJBRJQSMXWWBIE-ZWKOTPCHSA-N 2 0 366.937 3.068 20 0 FGADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1 ZINC000541816483 504263287 /nfs/dbraw/zinc/26/32/87/504263287.db2.gz FQBVIOZYGHDKEZ-PKOBYXMFSA-N 2 0 352.567 3.013 20 0 FGADRP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)NCCCCC[NH+]1CCCCC1 ZINC000541826332 504266332 /nfs/dbraw/zinc/26/63/32/504266332.db2.gz PMEDCQJPCDLJSA-GOSISDBHSA-N 2 0 352.567 3.014 20 0 FGADRP Cc1ncc2c(n1)CC[C@@H]([NH2+]CC(C)(C)C[N@H+](C)Cc1ccccc1)C2 ZINC000531333290 504270339 /nfs/dbraw/zinc/27/03/39/504270339.db2.gz WERRZFRFNXDCNO-HXUWFJFHSA-N 2 0 352.526 3.390 20 0 FGADRP CC(C)C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000528570860 504276153 /nfs/dbraw/zinc/27/61/53/504276153.db2.gz QZDROTKLEODILE-BHDDXSALSA-N 2 0 371.569 3.191 20 0 FGADRP COC(=O)c1ccc(C[NH2+]CC[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)[nH]1 ZINC000541922995 504303694 /nfs/dbraw/zinc/30/36/94/504303694.db2.gz WOPMHLSBLXGFPR-AEFFLSMTSA-N 2 0 355.482 3.192 20 0 FGADRP CCC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N(C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000528652068 504314210 /nfs/dbraw/zinc/31/42/10/504314210.db2.gz RYZFEAMOIKQBSE-WSWWRLHASA-N 2 0 371.569 3.476 20 0 FGADRP CC(C)[C@@H]1C[NH2+]CCN1C(=O)Nc1cccc(CC[NH+]2CCC(C)CC2)c1 ZINC000528686323 504330966 /nfs/dbraw/zinc/33/09/66/504330966.db2.gz QSDSDOWXNRETKF-NRFANRHFSA-N 2 0 372.557 3.423 20 0 FGADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)Nc2ccc3c(c2)OCC[NH2+]C3)C1 ZINC000528712049 504343651 /nfs/dbraw/zinc/34/36/51/504343651.db2.gz BGFAAWONTSRNNF-MRXNPFEDSA-N 2 0 374.529 3.191 20 0 FGADRP CN(c1ccccc1C[N@@H+]1CCC[C@@H]2COCC[C@@H]21)C1CC[NH+](C)CC1 ZINC000538792582 504372947 /nfs/dbraw/zinc/37/29/47/504372947.db2.gz ZPKOXRAMXWCHNQ-KNQAVFIVSA-N 2 0 357.542 3.218 20 0 FGADRP C[C@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000531683357 504392033 /nfs/dbraw/zinc/39/20/33/504392033.db2.gz IEXJHPZHVHBVPH-ZIAGYGMSSA-N 2 0 369.431 3.496 20 0 FGADRP C[C@H]([NH2+]CCCC[NH+]1CCN(C)CC1)c1ccc(OCC(F)(F)F)cc1 ZINC000531684881 504392126 /nfs/dbraw/zinc/39/21/26/504392126.db2.gz CBNCZSPFUUHJNF-INIZCTEOSA-N 2 0 373.463 3.306 20 0 FGADRP C[C@H]([NH2+]CCCC[NH+]1CCN(C)CC1)c1cccc(Br)c1 ZINC000531686966 504393988 /nfs/dbraw/zinc/39/39/88/504393988.db2.gz VCSUEOYKPAEVBH-HNNXBMFYSA-N 2 0 354.336 3.127 20 0 FGADRP COC1CCC(C[NH2+]Cc2c(Cl)cccc2N2CC[NH+](C)CC2)CC1 ZINC000538879314 504402878 /nfs/dbraw/zinc/40/28/78/504402878.db2.gz NTHNPDDNMVGLIE-UHFFFAOYSA-N 2 0 365.949 3.387 20 0 FGADRP CN(C(=O)[C@@H]1CCCC12CC2)[C@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000528892684 504437206 /nfs/dbraw/zinc/43/72/06/504437206.db2.gz IDJSKCNZIBWEFO-ZCNNSNEGSA-N 2 0 361.574 3.362 20 0 FGADRP Cc1ccncc1[C@H](C)[NH2+]CCCN1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000538985334 504439932 /nfs/dbraw/zinc/43/99/32/504439932.db2.gz GQEUCKGRGZRWCE-SIKLNZKXSA-N 2 0 352.526 3.419 20 0 FGADRP C[NH+](C)CCOc1cccc(NC(=O)NC[C@@H]2CC[N@@H+]2C2CCCCC2)c1 ZINC000528912777 504447248 /nfs/dbraw/zinc/44/72/48/504447248.db2.gz IFEWECMRKIKKGH-IBGZPJMESA-N 2 0 374.529 3.156 20 0 FGADRP COC1CC[NH+](C(C)(C)CN[C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000548483524 504460953 /nfs/dbraw/zinc/46/09/53/504460953.db2.gz CDDVQYRHYLNWGH-PZJWPPBQSA-N 2 0 373.585 3.376 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(Cn3ccnc3)cc2)[C@H](C)C1 ZINC000531937453 504480843 /nfs/dbraw/zinc/48/08/43/504480843.db2.gz ASLGLAXJORVKID-KNQAVFIVSA-N 2 0 370.541 3.158 20 0 FGADRP CC(C)[NH+]1CCC([NH2+]CC2(N3CCOC(C)(C)C3)CCCCC2)CC1 ZINC000531971590 504490861 /nfs/dbraw/zinc/49/08/61/504490861.db2.gz FVUPYLIQCRZNRU-UHFFFAOYSA-N 2 0 351.579 3.263 20 0 FGADRP Cc1nn(-c2cc[nH+]cc2)cc1CN1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000542465839 504500173 /nfs/dbraw/zinc/50/01/73/504500173.db2.gz MKXLZFZBSWSMPS-DYESRHJHSA-N 2 0 351.498 3.024 20 0 FGADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H](c2cccnc2)c2ccc(F)c(C)c2)CC1 ZINC000542480086 504507723 /nfs/dbraw/zinc/50/77/23/504507723.db2.gz WPYRILMIMMFJLQ-GCJKJVERSA-N 2 0 370.516 3.234 20 0 FGADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H](O)COc2cc(C)ccc2Cl)C[C@H]1C ZINC000542506815 504517951 /nfs/dbraw/zinc/51/79/51/504517951.db2.gz RMUPPRIVHYVSBX-IKGGRYGDSA-N 2 0 354.922 3.193 20 0 FGADRP CC(C)[C@@H](CNC(=O)NCCC[N@H+](C)C1CCCCC1)[NH+]1CCCC1 ZINC000520619813 504542941 /nfs/dbraw/zinc/54/29/41/504542941.db2.gz AAMSERGORDPHSX-LJQANCHMSA-N 2 0 352.567 3.061 20 0 FGADRP Cc1ccc(Cl)c(OC[C@@H](O)C[NH2+]CCCC[N@H+]2CCC[C@H](C)C2)c1 ZINC000520797692 504584469 /nfs/dbraw/zinc/58/44/69/504584469.db2.gz IXAGRNYDHYXIPW-ROUUACIJSA-N 2 0 368.949 3.490 20 0 FGADRP CCCCO[C@H]1C[C@@H]([NH2+]Cc2ccc(N3CC[NH+](CC)CC3)nc2)C1(C)C ZINC000539498484 504591326 /nfs/dbraw/zinc/59/13/26/504591326.db2.gz JDFTXVFPDOCRBZ-UXHICEINSA-N 2 0 374.573 3.297 20 0 FGADRP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)N(CC[NH+](C)C)Cc1ccco1 ZINC000532292017 504600925 /nfs/dbraw/zinc/60/09/25/504600925.db2.gz ORZJGUABAMSZJN-SFHVURJKSA-N 2 0 364.534 3.007 20 0 FGADRP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)NC[C@H]1CCC[NH+](C(C)C)C1 ZINC000520908840 504608098 /nfs/dbraw/zinc/60/80/98/504608098.db2.gz FAXNRZKVBRBGTH-MOPGFXCFSA-N 2 0 352.567 3.061 20 0 FGADRP C[NH+]1CCC(CCNC(=O)NC[C@H]2CCC[N@@H+]2CC2CCCCC2)CC1 ZINC000520987082 504623755 /nfs/dbraw/zinc/62/37/55/504623755.db2.gz UZMCAJPWTIVPKM-HXUWFJFHSA-N 2 0 364.578 3.062 20 0 FGADRP C[C@@H]([NH2+]C[C@@H]1COc2ccccc2O1)c1cccc(OCC[NH+](C)C)c1 ZINC000539609773 504624523 /nfs/dbraw/zinc/62/45/23/504624523.db2.gz MNHUUSPDQUABLX-VQIMIIECSA-N 2 0 356.466 3.118 20 0 FGADRP CC(C)C[C@H]([NH2+][C@H](C)c1ccc(F)cc1Cl)C(=O)NCC[NH+](C)C ZINC000539645997 504637838 /nfs/dbraw/zinc/63/78/38/504637838.db2.gz IAACPMSYXLEYKU-DYVFJYSZSA-N 2 0 357.901 3.222 20 0 FGADRP CCN(C(=O)N[C@@H]1CC[NH2+]C12CCC2)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000529360030 504645401 /nfs/dbraw/zinc/64/54/01/504645401.db2.gz SCERPFHBTPVLMJ-DFQSSKMNSA-N 2 0 370.541 3.138 20 0 FGADRP CC[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)c1cccc(OC)c1 ZINC000532452078 504655460 /nfs/dbraw/zinc/65/54/60/504655460.db2.gz QHJNPZQPMPWQRJ-FQEVSTJZSA-N 2 0 354.498 3.083 20 0 FGADRP COc1ccc([C@H](C)[NH2+][C@H](CN2CC[NH+](C)CC2)c2ccccc2)cc1 ZINC000532497197 504671225 /nfs/dbraw/zinc/67/12/25/504671225.db2.gz JOBRWJCZKAAGNC-PGRDOPGGSA-N 2 0 353.510 3.335 20 0 FGADRP CC(C)COc1ccc(C[N@@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)cc1 ZINC000539824821 504705068 /nfs/dbraw/zinc/70/50/68/504705068.db2.gz LAFVNNYHENKOPS-NRFANRHFSA-N 2 0 359.558 3.322 20 0 FGADRP CCC[NH+]1CCN(c2ccccc2C[N@@H+]2CC[C@@H]([C@H]3CCOC3)C2)CC1 ZINC000539852508 504717957 /nfs/dbraw/zinc/71/79/57/504717957.db2.gz TVPVKAYHTHSVPZ-CTNGQTDRSA-N 2 0 357.542 3.077 20 0 FGADRP COC[C@]1([NH2+]C2CCN(Cc3ccccc3)CC2)COc2ccccc2C1 ZINC000529669625 504756818 /nfs/dbraw/zinc/75/68/18/504756818.db2.gz TWFXXNPBCALDPW-QHCPKHFHSA-N 2 0 366.505 3.261 20 0 FGADRP C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000521587615 504760556 /nfs/dbraw/zinc/76/05/56/504760556.db2.gz JDWDPFKXLDLLLT-AQNXPRMDSA-N 2 0 371.569 3.381 20 0 FGADRP CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000565037414 504777701 /nfs/dbraw/zinc/77/77/01/504777701.db2.gz RMZXPQKPGYPKAH-JBACZVJFSA-N 2 0 370.541 3.067 20 0 FGADRP C[C@@H](NC(=O)C[NH+]1CCC(CC[NH3+])CC1)c1ccc(Cl)c(Cl)c1 ZINC000565096515 504792204 /nfs/dbraw/zinc/79/22/04/504792204.db2.gz SOFDCYBZMQWSRU-GFCCVEGCSA-N 2 0 358.313 3.231 20 0 FGADRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]C[C@@H](O)Cc1ccc(F)cc1 ZINC000559151794 504792263 /nfs/dbraw/zinc/79/22/63/504792263.db2.gz QIDRLXAEJSXGDC-OVNVTHAWSA-N 2 0 370.512 3.475 20 0 FGADRP CC(C)N(Cc1ccccc1)C(=O)[C@@H](C)[N@@H+]1CC[C@H](c2nccn2C)C1 ZINC000565154559 504809379 /nfs/dbraw/zinc/80/93/79/504809379.db2.gz BHTMIKMSRQLCAQ-MJGOQNOKSA-N 2 0 354.498 3.035 20 0 FGADRP C[NH+](C)Cc1ccc(C(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)cn1 ZINC000559269742 504814660 /nfs/dbraw/zinc/81/46/60/504814660.db2.gz OLEWVZIBOZIFEV-UHFFFAOYSA-N 2 0 352.482 3.034 20 0 FGADRP CCC[C@H](C)C(=O)NCC[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000556202820 504819692 /nfs/dbraw/zinc/81/96/92/504819692.db2.gz DAHPAWSHHLOINU-OYNPSCLESA-N 2 0 357.542 3.039 20 0 FGADRP Cc1c[nH+]ccc1N1CCC(C(=O)Nc2ccccc2C[NH+](C)C)CC1 ZINC000562436611 504820815 /nfs/dbraw/zinc/82/08/15/504820815.db2.gz LUKIKQVZRLZJEC-UHFFFAOYSA-N 2 0 352.482 3.307 20 0 FGADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000549472594 504831801 /nfs/dbraw/zinc/83/18/01/504831801.db2.gz SRALUNYUWBLFHD-ZWKOTPCHSA-N 2 0 366.937 3.116 20 0 FGADRP O[C@@H](C[NH2+]C1CC[NH+](C2CCCCC2)CC1)COc1ccc(Cl)cc1 ZINC000565299033 504847710 /nfs/dbraw/zinc/84/77/10/504847710.db2.gz DPVATIYSTCOMAG-IBGZPJMESA-N 2 0 366.933 3.466 20 0 FGADRP CC(C)(C)[NH+]1CCC([NH2+]C[C@H](O)COc2ccc3ccccc3c2)CC1 ZINC000565299491 504848139 /nfs/dbraw/zinc/84/81/39/504848139.db2.gz IMQKSJVWRGOUTD-FQEVSTJZSA-N 2 0 356.510 3.432 20 0 FGADRP CC[C@H](NC(=O)C[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)c1ccc(Cl)cc1 ZINC000565303933 504849453 /nfs/dbraw/zinc/84/94/53/504849453.db2.gz XITLVVAPOFBFGE-SCTDSRPQSA-N 2 0 363.933 3.229 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1cnc(C)n1-c1ccccc1 ZINC000565331306 504855594 /nfs/dbraw/zinc/85/55/94/504855594.db2.gz GOGGNUZMJZENOC-NRFANRHFSA-N 2 0 369.557 3.029 20 0 FGADRP C[C@@H]1CC[N@H+](CC(=O)NCc2ccccc2C[NH+](C)C2CCCCC2)C1 ZINC000553368385 504896197 /nfs/dbraw/zinc/89/61/97/504896197.db2.gz FIIOFQAWRVSCKR-GOSISDBHSA-N 2 0 357.542 3.409 20 0 FGADRP Cc1ccc([C@H](CNC(=O)[C@H]2CC[N@H+](Cc3ccccc3)C2)[NH+](C)C)cc1 ZINC000553391828 504901888 /nfs/dbraw/zinc/90/18/88/504901888.db2.gz JQFDODVUKMNDCA-VXKWHMMOSA-N 2 0 365.521 3.236 20 0 FGADRP C[NH+](C)CCCN(CCC[NH+](C)C)Cc1ccc2c(c1)COC(C)(C)O2 ZINC000565508671 504907842 /nfs/dbraw/zinc/90/78/42/504907842.db2.gz XEODTAZPDBQGSB-UHFFFAOYSA-N 2 0 363.546 3.037 20 0 FGADRP C[C@@H]1CN(C(=O)[C@@H]2CCC[NH+](Cc3ccccc3)C2)CC[N@@H+](C2CCC2)C1 ZINC000553525480 504940464 /nfs/dbraw/zinc/94/04/64/504940464.db2.gz BGTOQGNRGHJXFN-PZJWPPBQSA-N 2 0 369.553 3.231 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H](O)Cc1ccc(F)cc1 ZINC000549938689 504940602 /nfs/dbraw/zinc/94/06/02/504940602.db2.gz FCBXQWINIHGROX-WTNAPCKOSA-N 2 0 356.485 3.229 20 0 FGADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]C[C@H](O)CO[C@H]2CCCc3ccccc32)C1 ZINC000565654875 504950140 /nfs/dbraw/zinc/95/01/40/504950140.db2.gz NRAQBNHLTVMXGZ-NWSQWKLXSA-N 2 0 374.569 3.399 20 0 FGADRP COc1cc([C@@H](C)[NH2+]Cc2ccc(OC3CC[NH+](C)CC3)cc2)ccn1 ZINC000559920354 504951274 /nfs/dbraw/zinc/95/12/74/504951274.db2.gz VXEABLLOARJCNP-MRXNPFEDSA-N 2 0 355.482 3.414 20 0 FGADRP CCO[C@@H]1C[C@H]([NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3C)CC2)[C@@H]1n1cccn1 ZINC000559924576 504951856 /nfs/dbraw/zinc/95/18/56/504951856.db2.gz MDSXZKULHXSXPR-PPQDBTBKSA-N 2 0 360.546 3.234 20 0 FGADRP C[C@@H]([NH2+]C1(CNC(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)CCCC1)c1ccccc1 ZINC000562809385 504954030 /nfs/dbraw/zinc/95/40/30/504954030.db2.gz CSKDCJXURWVVMQ-RLLQIKCJSA-N 2 0 370.541 3.186 20 0 FGADRP COc1cc2[nH]c(NCc3cnc(C)n3-c3ccccc3)[nH+]c2cc1OC ZINC000559953938 504957284 /nfs/dbraw/zinc/95/72/84/504957284.db2.gz XVPOIRIAAVJHNY-UHFFFAOYSA-N 2 0 363.421 3.108 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N1C[C@@H]([NH+]2CCCC2)C[C@H]1C)CC(C)C ZINC000553600134 504958790 /nfs/dbraw/zinc/95/87/90/504958790.db2.gz VXQKVYZZPYVWKM-QYZOEREBSA-N 2 0 352.567 3.011 20 0 FGADRP CC[C@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@H+](C)Cc1ccccc1 ZINC000550128114 504972472 /nfs/dbraw/zinc/97/24/72/504972472.db2.gz YJWSTJTYIUAJGZ-FGZHOGPDSA-N 2 0 365.521 3.288 20 0 FGADRP CC(CC[NH+]1CC[C@H](OC(F)F)C1)CC[N@@H+]1CC[C@H](OC(F)F)C1 ZINC000556819920 504984383 /nfs/dbraw/zinc/98/43/83/504984383.db2.gz GHZXNDHUNQKJDR-KBPBESRZSA-N 2 0 356.404 3.030 20 0 FGADRP CCCC[N@H+](C)C[C@@H](C)NC(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000565865607 505009693 /nfs/dbraw/zinc/00/96/93/505009693.db2.gz CVSHWSLNFHKOQR-SJORKVTESA-N 2 0 366.575 3.305 20 0 FGADRP Clc1cccc(-c2noc(CC[NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)n2)c1 ZINC000565945157 505035484 /nfs/dbraw/zinc/03/54/84/505035484.db2.gz XTNLLXQEJQNTND-BBWFWOEESA-N 2 0 360.889 3.443 20 0 FGADRP C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)c2ccccc2CC2CC[NH2+]CC2)C1 ZINC000565954022 505037005 /nfs/dbraw/zinc/03/70/05/505037005.db2.gz LIPODVXIMLCOGK-FQEVSTJZSA-N 2 0 369.553 3.033 20 0 FGADRP CC1CC[NH+](CCc2cccc(NC(=O)NCC3=CC[NH2+]CC3)c2)CC1 ZINC000556987665 505038973 /nfs/dbraw/zinc/03/89/73/505038973.db2.gz GQAUHSITPHZMBL-UHFFFAOYSA-N 2 0 356.514 3.002 20 0 FGADRP C[NH+](C)CCOc1ccc(NC(=O)C[C@H]2CCCC[C@H]2[NH3+])cc1Cl ZINC000563082603 505041561 /nfs/dbraw/zinc/04/15/61/505041561.db2.gz HBHNEYMCBZMHCA-CZUORRHYSA-N 2 0 353.894 3.127 20 0 FGADRP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)Nc2ccc3c(c2)C[NH2+]C3)CC1 ZINC000557045516 505052553 /nfs/dbraw/zinc/05/25/53/505052553.db2.gz FSAJBALVEMFYOB-OAHLLOKOSA-N 2 0 365.481 3.032 20 0 FGADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]C[C@H]1CSc2ccccc2O1 ZINC000563122424 505053762 /nfs/dbraw/zinc/05/37/62/505053762.db2.gz NLRBOGOANKXHEL-KRWDZBQOSA-N 2 0 352.463 3.219 20 0 FGADRP Cc1ccccc1C[C@@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)C1CC1 ZINC000566024525 505058677 /nfs/dbraw/zinc/05/86/77/505058677.db2.gz BDDJEIGYMGKXBZ-JOCHJYFZSA-N 2 0 364.537 3.253 20 0 FGADRP C[C@@H]([NH2+]CCNc1ncc(C(F)(F)F)cc1Cl)[C@@H]1CCC[NH2+]C1 ZINC000566062411 505069032 /nfs/dbraw/zinc/06/90/32/505069032.db2.gz FUUIJLVCENXJLX-GHMZBOCLSA-N 2 0 350.816 3.143 20 0 FGADRP COC[C@H]([NH2+]CCCN1CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000554049113 505075318 /nfs/dbraw/zinc/07/53/18/505075318.db2.gz IQTBHZPVVFIKPC-QHCPKHFHSA-N 2 0 367.537 3.172 20 0 FGADRP [NH3+][C@H]1C[C@H]([NH2+]C2CCN(C(=O)NC3CCCCC3)CC2)c2ccccc21 ZINC000566090745 505077618 /nfs/dbraw/zinc/07/76/18/505077618.db2.gz KNQJNNKNDUYFCJ-PMACEKPBSA-N 2 0 356.514 3.228 20 0 FGADRP COc1ccc2ccc(C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)cc2c1 ZINC000550680372 505083697 /nfs/dbraw/zinc/08/36/97/505083697.db2.gz KWHHRRQOAIMFHH-UHFFFAOYSA-N 2 0 371.525 3.194 20 0 FGADRP C[NH+](C)C[C@H](CNC(=O)CC[C@H]1CCCC[N@@H+]1C)c1ccc(Cl)cc1 ZINC000560506144 505107291 /nfs/dbraw/zinc/10/72/91/505107291.db2.gz IZDGMQZENDXBTM-PKOBYXMFSA-N 2 0 365.949 3.366 20 0 FGADRP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H](C)C1)C(C)(C)n1cncn1 ZINC000550886558 505120434 /nfs/dbraw/zinc/12/04/34/505120434.db2.gz HMCFIZLOOWAUDF-ROUUACIJSA-N 2 0 355.530 3.423 20 0 FGADRP CC(C)(C)[C@H](NC(=O)C[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)c1cccs1 ZINC000566245233 505121304 /nfs/dbraw/zinc/12/13/04/505121304.db2.gz MUKZUZBULPJOEF-JTDSTZFVSA-N 2 0 363.571 3.273 20 0 FGADRP CCC[NH+]1CCN(c2ccccc2C[N@@H+]2CCC[C@](CO)(C(C)C)C2)CC1 ZINC000560619472 505146213 /nfs/dbraw/zinc/14/62/13/505146213.db2.gz VGBFEEZYCFZPGN-QHCPKHFHSA-N 2 0 373.585 3.449 20 0 FGADRP O=C(C[C@H]1CCC[NH2+]C1)N(CC[NH+]1CCCC1)Cc1ccc(Cl)cc1 ZINC000566470915 505184172 /nfs/dbraw/zinc/18/41/72/505184172.db2.gz MOTDIPRWFCSFOO-GOSISDBHSA-N 2 0 363.933 3.154 20 0 FGADRP CCOc1cccc2cc([C@H](C)[NH2+]CC(=O)NC3CC[NH+](CC)CC3)oc21 ZINC000560846927 505201219 /nfs/dbraw/zinc/20/12/19/505201219.db2.gz HCNRYTFYJOMHGI-HNNXBMFYSA-N 2 0 373.497 3.083 20 0 FGADRP CSc1ccc(C[NH2+]Cc2ccncc2OCCC[NH+](C)C)s1 ZINC000566649158 505231950 /nfs/dbraw/zinc/23/19/50/505231950.db2.gz HTAJANQJXOFIMT-UHFFFAOYSA-N 2 0 351.541 3.485 20 0 FGADRP CCOC(=O)C1(C[NH2+]C2CC[NH+]([C@@H](C)Cc3ccccc3)CC2)CCC1 ZINC000563779983 505235721 /nfs/dbraw/zinc/23/57/21/505235721.db2.gz GUPXUVGDWGFOQR-SFHVURJKSA-N 2 0 358.526 3.405 20 0 FGADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000563804458 505243758 /nfs/dbraw/zinc/24/37/58/505243758.db2.gz MVUPRYVXXQKFQY-IGEOTXOUSA-N 3 0 370.463 3.305 20 0 FGADRP COCCN(C)C[C@H](O)C[N@@H+]1CC[C@@H](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000566686355 505244097 /nfs/dbraw/zinc/24/40/97/505244097.db2.gz KVTATZHHAITGEJ-FHLIZLRMSA-N 2 0 374.447 3.027 20 0 FGADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)C1 ZINC000557853186 505246471 /nfs/dbraw/zinc/24/64/71/505246471.db2.gz YFOISFJQUJZIKA-OTWHNJEPSA-N 2 0 364.578 3.155 20 0 FGADRP CC[NH+]1CCN(CCC[NH2+][C@@H]2CCCc3c4cc(C)ccc4[nH]c32)CC1 ZINC000554735582 505252032 /nfs/dbraw/zinc/25/20/32/505252032.db2.gz UHMZTQNZILJYNC-OAQYLSRUSA-N 2 0 354.542 3.471 20 0 FGADRP C[C@@H]1CC[N@H+](CC(=O)NCc2ccccc2C[NH+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000561156871 505266990 /nfs/dbraw/zinc/26/69/90/505266990.db2.gz WPAGUZMDFXNEAF-QRVBRYPASA-N 2 0 357.542 3.123 20 0 FGADRP C[C@H]1CC[N@H+](CC(=O)NCc2ccccc2C[NH+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000561156869 505267442 /nfs/dbraw/zinc/26/74/42/505267442.db2.gz WPAGUZMDFXNEAF-GBESFXJTSA-N 2 0 357.542 3.123 20 0 FGADRP CC(C)(CC[NH+]1CCCCCC1)NC(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2 ZINC000563944683 505284419 /nfs/dbraw/zinc/28/44/19/505284419.db2.gz PIJSAUQFPQXHKH-QGZVFWFLSA-N 2 0 373.545 3.064 20 0 FGADRP CC(C)[N@H+](C)CC1CC[NH+]([C@H](C)C(=O)N[C@@H]2CCOc3ccccc32)CC1 ZINC000551908376 505339599 /nfs/dbraw/zinc/33/95/99/505339599.db2.gz HRVNOMQRYAZZLJ-YLJYHZDGSA-N 2 0 373.541 3.067 20 0 FGADRP CC(C)[N@H+](C)CC1CC[NH+]([C@@H](C)C(=O)N2c3ccccc3C[C@@H]2C)CC1 ZINC000551908428 505339623 /nfs/dbraw/zinc/33/96/23/505339623.db2.gz QTFLQYQFLCJECR-ROUUACIJSA-N 2 0 357.542 3.405 20 0 FGADRP C[C@H]([NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1cccc(-n2ccnn2)c1 ZINC000558261238 505346856 /nfs/dbraw/zinc/34/68/56/505346856.db2.gz ZXKDLZBJKFIGDY-ICSRJNTNSA-N 2 0 361.493 3.440 20 0 FGADRP COc1c(O)cccc1CN1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000564312531 505379860 /nfs/dbraw/zinc/37/98/60/505379860.db2.gz NIQLRMAHLATGCI-QFIPXVFZSA-N 2 0 352.478 3.499 20 0 FGADRP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCN(c3ccccc3OC(F)F)C2)[C@@H]2CCC[C@H]21 ZINC000552044158 505380390 /nfs/dbraw/zinc/38/03/90/505380390.db2.gz SLDLZTPXPDEWTB-LTIDMASMSA-N 2 0 365.468 3.329 20 0 FGADRP CS[C@H](CO)[C@H](C)[NH2+][C@@H]1CCCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000552047643 505380870 /nfs/dbraw/zinc/38/08/70/505380870.db2.gz TWXVVTVUEWKMHB-OUJGAGHGSA-N 2 0 362.583 3.379 20 0 FGADRP COc1cccc(O[C@H](C)C[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000567159388 505381196 /nfs/dbraw/zinc/38/11/96/505381196.db2.gz UHTSFDWEIWBWJQ-CNDZOEFASA-N 2 0 368.477 3.308 20 0 FGADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)c2ccccc21 ZINC000555233732 505385971 /nfs/dbraw/zinc/38/59/71/505385971.db2.gz FJWLWMPBTRPNLH-UIFIKXQLSA-N 2 0 374.525 3.259 20 0 FGADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCCC(=O)Nc2ccccc2C(C)=O)C[C@H]1C ZINC000564344368 505390575 /nfs/dbraw/zinc/39/05/75/505390575.db2.gz PZKWDFZOAWHYGJ-SJLPKXTDSA-N 2 0 359.514 3.413 20 0 FGADRP CCC[N@H+](C)[C@H](CNC(=O)N[C@@H](C)CC[NH+](C)C)c1ccc(Cl)cc1 ZINC000561637477 505396610 /nfs/dbraw/zinc/39/66/10/505396610.db2.gz FBYRPQQVOUZTOM-MAUKXSAKSA-N 2 0 368.953 3.362 20 0 FGADRP CSC1(C[NH2+][C@@H](CCn2cncn2)c2ccc(C)cc2)CC[NH+](C)CC1 ZINC000558505577 505411637 /nfs/dbraw/zinc/41/16/37/505411637.db2.gz KCLUUCNBAZNLBO-IBGZPJMESA-N 2 0 373.570 3.135 20 0 FGADRP CC[C@@H](C(=O)N1CCC[C@H]1C[NH+]1CCCCC1)[N@H+](C)Cc1ccccc1 ZINC000564447598 505422486 /nfs/dbraw/zinc/42/24/86/505422486.db2.gz IZNMDYUWFRPTGD-SFTDATJTSA-N 2 0 357.542 3.374 20 0 FGADRP CCc1nc(C(C)C)ccc1CN1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000555417649 505427861 /nfs/dbraw/zinc/42/78/61/505427861.db2.gz FXEAPPGVDHCZOO-AVRDEDQJSA-N 2 0 358.574 3.225 20 0 FGADRP C[C@H]1CCCC[C@H]1[NH+]1CCC(NCc2ccncc2OCC[NH+](C)C)CC1 ZINC000561782958 505436870 /nfs/dbraw/zinc/43/68/70/505436870.db2.gz SGEKILNNTXZSER-GHTZIAJQSA-N 2 0 374.573 3.155 20 0 FGADRP C[N@@H+]1CC[C@H]([NH2+]Cc2cc(Br)cc3c2OCC3)[C@H]2CCC[C@@H]21 ZINC000552285704 505451217 /nfs/dbraw/zinc/45/12/17/505451217.db2.gz ZKFTWURATKVPPT-IKGGRYGDSA-N 2 0 365.315 3.346 20 0 FGADRP CCCC[N@H+](C)C[C@@H](C)NC(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C[C@H]1C ZINC000567410585 505454568 /nfs/dbraw/zinc/45/45/68/505454568.db2.gz XDJVCJDKXICNTF-SFHLNBCPSA-N 2 0 374.573 3.317 20 0 FGADRP COc1ccc(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)c(C)c1OC ZINC000561950178 505476257 /nfs/dbraw/zinc/47/62/57/505476257.db2.gz QKBAJGZEONUIHR-UHFFFAOYSA-N 2 0 362.514 3.089 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1c[nH]nc1-c1ccccc1F ZINC000561976794 505483082 /nfs/dbraw/zinc/48/30/82/505483082.db2.gz SDCRHASFLUGIMT-GOSISDBHSA-N 2 0 373.520 3.064 20 0 FGADRP O[C@@H](C[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21)Cc1ccccc1 ZINC000562065450 505507749 /nfs/dbraw/zinc/50/77/49/505507749.db2.gz RUOQMTKDVMHWNU-MOUTVQLLSA-N 2 0 364.533 3.480 20 0 FGADRP O[C@@H](C[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)Cc1ccccc1 ZINC000562065457 505508042 /nfs/dbraw/zinc/50/80/42/505508042.db2.gz RUOQMTKDVMHWNU-UARRHKHWSA-N 2 0 364.533 3.480 20 0 FGADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(N2CCc3ccccc3C2)nc1 ZINC000567647086 505523634 /nfs/dbraw/zinc/52/36/34/505523634.db2.gz SSSVVMLPLMQVRG-CTNGQTDRSA-N 2 0 350.510 3.251 20 0 FGADRP C[NH+](C)C[C@@H](NC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)c1ccc(F)cc1 ZINC000562176379 505532786 /nfs/dbraw/zinc/53/27/86/505532786.db2.gz YXEAOWLGMRQIAT-QGZVFWFLSA-N 2 0 364.509 3.037 20 0 FGADRP CC[N@H+](CCC1CCN(C(=O)[C@@H]2CCCC[NH+]2CC)CC1)CC(C)C ZINC000552695116 505537210 /nfs/dbraw/zinc/53/72/10/505537210.db2.gz VUWQPUSFCWAMNB-FQEVSTJZSA-N 2 0 351.579 3.467 20 0 FGADRP CC[N@H+](CCNC(=O)NC[C@H]1CCCC[NH+](Cc2ccccc2)C1)C(C)C ZINC000562240367 505549720 /nfs/dbraw/zinc/54/97/20/505549720.db2.gz BLMMEOJNDCQTCI-OAQYLSRUSA-N 2 0 374.573 3.318 20 0 FGADRP CC[N@H+](CCNC(=O)N1CCC[NH+](CC2CCCCC2)CC1)C(C)C ZINC000559012489 505550883 /nfs/dbraw/zinc/55/08/83/505550883.db2.gz DIBYMNUCPQKBPK-UHFFFAOYSA-N 2 0 352.567 3.014 20 0 FGADRP C[C@H](C(=O)NCc1ccc(OC2CC[NH+](C)CC2)cc1)[NH+]1[C@H](C)CC[C@H]1C ZINC000552780152 505553141 /nfs/dbraw/zinc/55/31/41/505553141.db2.gz ZNXTYTOLHDZOGX-KZNAEPCWSA-N 2 0 373.541 3.037 20 0 FGADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)CC[C@H]([NH3+])c2ccccc2)C1 ZINC000567772996 505561702 /nfs/dbraw/zinc/56/17/02/505561702.db2.gz RGBWUYZUKGVVQT-UIFIKXQLSA-N 2 0 351.494 3.418 20 0 FGADRP [NH3+]CCC[C@H](NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000564955334 505562811 /nfs/dbraw/zinc/56/28/11/505562811.db2.gz XBCIYRNKJOZPSE-VXKWHMMOSA-N 2 0 365.521 3.495 20 0 FGADRP CC[C@@H](C)[N@H+](C)CCNC(=O)NCc1ccc(C[NH+]2CCC[C@H](C)C2)cc1 ZINC000589209029 506484282 /nfs/dbraw/zinc/48/42/82/506484282.db2.gz KMORRMCRIVOUFN-RBUKOAKNSA-N 2 0 374.573 3.448 20 0 FGADRP CC[C@H](C)[N@H+](C)CCNC(=O)NCc1ccccc1C[NH+]1CCC[C@H](C)C1 ZINC000589209794 506484529 /nfs/dbraw/zinc/48/45/29/506484529.db2.gz XCVPSVSJUDHETG-OALUTQOASA-N 2 0 374.573 3.448 20 0 FGADRP CC[C@H](C)[N@H+](C)CCNC(=O)NC[C@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC000589217231 506489333 /nfs/dbraw/zinc/48/93/33/506489333.db2.gz DTADQHCYEUZDIX-AZUAARDMSA-N 2 0 360.546 3.161 20 0 FGADRP CSC1(C[NH2+][C@H]2CN(Cc3ccccc3)C(C)(C)C2)CC[NH+](C)CC1 ZINC000589326090 506518481 /nfs/dbraw/zinc/51/84/81/506518481.db2.gz OJXGTOSUSGZCOI-LJQANCHMSA-N 2 0 361.599 3.457 20 0 FGADRP C[NH+](C)Cc1c2ccccc2oc1C(=O)N1CCC[N@@H+](C(C)(C)C)CC1 ZINC000608358007 506523653 /nfs/dbraw/zinc/52/36/53/506523653.db2.gz JRUXXXIRUXSZHQ-UHFFFAOYSA-N 2 0 357.498 3.441 20 0 FGADRP CC[NH+](CC)CCO[C@@H]1CCN(Cc2[nH+]c(C(C)C)n3ccccc23)C1 ZINC000583029629 506550092 /nfs/dbraw/zinc/55/00/92/506550092.db2.gz XYTKSGPAVWXHNF-GOSISDBHSA-N 2 0 358.530 3.390 20 0 FGADRP CC[N@H+](Cc1ccc(C(=O)N(C)C)cc1)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000583089088 506584500 /nfs/dbraw/zinc/58/45/00/506584500.db2.gz JOQSOJKNVUHJOC-UHFFFAOYSA-N 2 0 351.494 3.056 20 0 FGADRP C[C@@H]1CC[N@H+](CCNC(=O)c2ccccc2OCC[NH+]2CCCC[C@H]2C)C1 ZINC000608613742 506632910 /nfs/dbraw/zinc/63/29/10/506632910.db2.gz MHXUCFIMMORLQU-RTBURBONSA-N 2 0 373.541 3.011 20 0 FGADRP CC[N@H+](C)[C@@H](C(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C)c1ccccc1 ZINC000589992891 506698352 /nfs/dbraw/zinc/69/83/52/506698352.db2.gz IWSVJCIMYVBIEY-WOJBJXKFSA-N 2 0 357.473 3.238 20 0 FGADRP COCCCn1nccc1C[N@@H+]1CCCC[C@@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000583321791 506717456 /nfs/dbraw/zinc/71/74/56/506717456.db2.gz FEPXZWFGYOACBE-IFMALSPDSA-N 2 0 370.541 3.092 20 0 FGADRP CN(C(=O)N[C@@H](C[NH+]1CCCCC1)c1ccccc1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000604201708 506748760 /nfs/dbraw/zinc/74/87/60/506748760.db2.gz GYKGJFXZJVCLIK-SFTDATJTSA-N 2 0 370.541 3.092 20 0 FGADRP CC(C)[N@@H+]1CCCN(C(=O)N[C@@H](C[NH+]2CCCCC2)c2ccccc2)CC1 ZINC000604204383 506752415 /nfs/dbraw/zinc/75/24/15/506752415.db2.gz FTQVUYCSVPAHOW-NRFANRHFSA-N 2 0 372.557 3.339 20 0 FGADRP Cc1cc(F)ccc1-c1ccc(C[NH2+]C[C@@H](C)CN2CC[NH+](C)CC2)o1 ZINC000604416146 506825659 /nfs/dbraw/zinc/82/56/59/506825659.db2.gz IKOCXKPEDYMURP-MRXNPFEDSA-N 2 0 359.489 3.367 20 0 FGADRP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000612962687 506840355 /nfs/dbraw/zinc/84/03/55/506840355.db2.gz ISZPSSSXRDNGOZ-PXNSSMCTSA-N 2 0 370.541 3.002 20 0 FGADRP CCc1ccc([C@H](CNC(=O)N[C@@H]2CC23CC[NH2+]CC3)[NH+](CC)CC)cc1 ZINC000612981864 506849705 /nfs/dbraw/zinc/84/97/05/506849705.db2.gz GFVXKOYYQRHBIU-VQTJNVASSA-N 2 0 372.557 3.073 20 0 FGADRP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]C[C@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000583688610 506918994 /nfs/dbraw/zinc/91/89/94/506918994.db2.gz RSMZZQOQRDJDNB-MCIONIFRSA-N 2 0 361.313 3.196 20 0 FGADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)C1 ZINC000604782089 506940957 /nfs/dbraw/zinc/94/09/57/506940957.db2.gz FPXVZMWLHQCZNY-MISYRCLQSA-N 2 0 374.573 3.488 20 0 FGADRP CC(C)[NH2+][C@H]1CCCN(C(=O)NC2CC[NH+]([C@@H](C)c3ccccc3)CC2)C1 ZINC000604822490 506957178 /nfs/dbraw/zinc/95/71/78/506957178.db2.gz KBHPIBMNAHMGKQ-RXVVDRJESA-N 2 0 372.557 3.384 20 0 FGADRP CC(C)[N@H+](C)CC1CC[NH+](CC(=O)N(C)Cc2ccc(Cl)s2)CC1 ZINC000590786963 506957966 /nfs/dbraw/zinc/95/79/66/506957966.db2.gz OMXNYAKEKUOIID-UHFFFAOYSA-N 2 0 371.978 3.412 20 0 FGADRP C[NH+](C)CC[C@@H](NC(=O)N1CC[NH+](CC2CCCCC2)CC1)C(C)(C)C ZINC000604824785 506958387 /nfs/dbraw/zinc/95/83/87/506958387.db2.gz WYYIHZXAKCRJHH-LJQANCHMSA-N 2 0 366.594 3.260 20 0 FGADRP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)Nc1cccc(OCC[NH+](C)C)c1 ZINC000594231187 507027314 /nfs/dbraw/zinc/02/73/14/507027314.db2.gz BCFPAWPBURBHSO-IAGOWNOFSA-N 2 0 362.518 3.011 20 0 FGADRP C[C@@H]1CC[NH2+][C@@H](C)[C@H]1NC(=O)c1cccc(C[N@H+](C)Cc2ccccc2)c1 ZINC000583929221 507053429 /nfs/dbraw/zinc/05/34/29/507053429.db2.gz SUTFYGHJONQQOP-FGSXEWAUSA-N 2 0 365.521 3.435 20 0 FGADRP CC[NH+](CC)CCn1ccc2cc(NC(=O)c3ccnc(C[NH3+])c3)ccc21 ZINC000583932117 507057652 /nfs/dbraw/zinc/05/76/52/507057652.db2.gz WBMANRROBYNRTN-UHFFFAOYSA-N 2 0 365.481 3.089 20 0 FGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCc1ccc(C[NH+]2CCC[C@@H](C)C2)cc1 ZINC000591096439 507113001 /nfs/dbraw/zinc/11/30/01/507113001.db2.gz NZQAZQCNBDJWKE-WIYYLYMNSA-N 2 0 357.542 3.409 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)NC[C@H]1CCCC[N@@H+]1CC)Cc1ccccc1 ZINC000600862677 507149664 /nfs/dbraw/zinc/14/96/64/507149664.db2.gz CGGWLDIKNBMYDS-NHCUHLMSSA-N 2 0 374.573 3.113 20 0 FGADRP CC(C)[C@H](C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1)[NH+]1CCCCC1 ZINC000591203109 507152208 /nfs/dbraw/zinc/15/22/08/507152208.db2.gz DKIFOOOIYJJRBI-FGZHOGPDSA-N 2 0 371.569 3.178 20 0 FGADRP CC(C)[NH+]1CCN([C@H]2CC[N@H+](Cc3ccc(-c4ncco4)cc3F)C2)CC1 ZINC000584099402 507152649 /nfs/dbraw/zinc/15/26/49/507152649.db2.gz AIRGHZAXHIEPSX-IBGZPJMESA-N 2 0 372.488 3.081 20 0 FGADRP Cc1ccc(C[NH+]2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)c(-c2cnn(C)c2)c1 ZINC000584100840 507154199 /nfs/dbraw/zinc/15/41/99/507154199.db2.gz MPFVBZRISQFFKO-UNMCSNQZSA-N 2 0 368.525 3.114 20 0 FGADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000600894580 507165167 /nfs/dbraw/zinc/16/51/67/507165167.db2.gz DLKZOSBYTNXUGK-OAQYLSRUSA-N 2 0 372.557 3.346 20 0 FGADRP C[NH+](C)CCCC1CCN(C(=O)[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000584130879 507168758 /nfs/dbraw/zinc/16/87/58/507168758.db2.gz VCFPKJPMOZYOBP-OAQYLSRUSA-N 2 0 357.542 3.089 20 0 FGADRP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000605403247 507177875 /nfs/dbraw/zinc/17/78/75/507177875.db2.gz BZOUCFQSEMZVNW-FGTMMUONSA-N 2 0 366.509 3.343 20 0 FGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+][C@H](C)c2cncnc2C)CC1 ZINC000584182659 507198659 /nfs/dbraw/zinc/19/86/59/507198659.db2.gz HPOKLPFZQLGQHB-DLBZAZTESA-N 2 0 371.504 3.478 20 0 FGADRP C[C@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)N1CCC([NH+](C)C)CC1 ZINC000591429968 507247879 /nfs/dbraw/zinc/24/78/79/507247879.db2.gz JJZAIZRFBLGDLF-SFHVURJKSA-N 2 0 373.541 3.106 20 0 FGADRP CCCN(C(=O)N[C@H](C)C[C@@H](C)[NH3+])[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000584290124 507261690 /nfs/dbraw/zinc/26/16/90/507261690.db2.gz FBIWUWLWGZUMND-GGPKGHCWSA-N 2 0 360.546 3.198 20 0 FGADRP CC[NH+](CC)[C@H](C)CNC(=O)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000584309811 507270327 /nfs/dbraw/zinc/27/03/27/507270327.db2.gz ZBTQRPRSHVDRLZ-KNQAVFIVSA-N 2 0 372.557 3.024 20 0 FGADRP CC(C)[C@@H](CNC(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1)[NH+]1CCCC1 ZINC000591558647 507291691 /nfs/dbraw/zinc/29/16/91/507291691.db2.gz XVPFFNSZPMWCRP-LEWJYISDSA-N 2 0 372.557 3.243 20 0 FGADRP CC(C)C[N@@H+]1CC[C@@H](C[NH2+]C[C@@H](O)Cc2ccc(C(F)(F)F)cc2)C1 ZINC000584346154 507293117 /nfs/dbraw/zinc/29/31/17/507293117.db2.gz UTDHIHFHKLDYMQ-WMZOPIPTSA-N 2 0 358.448 3.176 20 0 FGADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)N(CC[NH+](C)C)Cc1cccc(C)c1 ZINC000605988257 507319609 /nfs/dbraw/zinc/31/96/09/507319609.db2.gz JROCWPJBYMNJON-NRFANRHFSA-N 2 0 374.573 3.333 20 0 FGADRP CC(C)C[C@@H](C[NH2+]Cc1ccnn1-c1cc[nH+]cc1)C(=O)OC(C)(C)C ZINC000594949920 507328226 /nfs/dbraw/zinc/32/82/26/507328226.db2.gz IIFQKPFTUJNROQ-INIZCTEOSA-N 2 0 358.486 3.361 20 0 FGADRP CC[N@@H+]1CC[C@H]([NH+](C)CCC(=O)Nc2cc(Cl)ccc2OC)C[C@@H]1C ZINC000584440386 507343729 /nfs/dbraw/zinc/34/37/29/507343729.db2.gz QCCVILLSPVPHSN-HOCLYGCPSA-N 2 0 367.921 3.482 20 0 FGADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]CC1(C(=O)OC(C)(C)C)CCC1 ZINC000594993172 507344811 /nfs/dbraw/zinc/34/48/11/507344811.db2.gz DNKUAMPVEPYQRY-UHFFFAOYSA-N 2 0 356.470 3.177 20 0 FGADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(C[NH2+]C[C@H]2CNc3ccnn3C2)cc1 ZINC000595140661 507407001 /nfs/dbraw/zinc/40/70/01/507407001.db2.gz LZUWJAUUPFBRPP-PXNSSMCTSA-N 2 0 353.514 3.089 20 0 FGADRP Clc1ccccc1C[NH+]1CCC(C[NH2+]C[C@@H]2CNc3ccnn3C2)CC1 ZINC000595147552 507409991 /nfs/dbraw/zinc/40/99/91/507409991.db2.gz VELXQKCJBLPVMC-QGZVFWFLSA-N 2 0 373.932 3.080 20 0 FGADRP C[C@H](NC(=O)NC[C@H]1CCC[N@@H+]1CC1CCCCC1)C1CC[NH+](C)CC1 ZINC000606684805 507479696 /nfs/dbraw/zinc/47/96/96/507479696.db2.gz OKFOFKLBMVPMGH-FXAWDEMLSA-N 2 0 364.578 3.061 20 0 FGADRP CC[NH+](CC)CC1CCN(C(=O)NCCCCC[NH+]2CCCCC2)CC1 ZINC000606705427 507490310 /nfs/dbraw/zinc/49/03/10/507490310.db2.gz AZEDTEZBXHXEST-UHFFFAOYSA-N 2 0 366.594 3.406 20 0 FGADRP COC(=O)c1cc(C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)n2c1CCCC2 ZINC000598678674 507549624 /nfs/dbraw/zinc/54/96/24/507549624.db2.gz LRXYYVOFPWAPRU-UHFFFAOYSA-N 2 0 361.530 3.163 20 0 FGADRP CCOC(=O)C1([C@H](C)[NH2+]Cc2ccsc2C(F)(F)F)CC[NH2+]CC1 ZINC000602019566 507557404 /nfs/dbraw/zinc/55/74/04/507557404.db2.gz GVTMKAFTPVOKOZ-NSHDSACASA-N 2 0 364.433 3.178 20 0 FGADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@@H]1CC[C@H](C(=O)OC(C)(C)C)C1 ZINC000592378520 507626963 /nfs/dbraw/zinc/62/69/63/507626963.db2.gz BPYXCDQNJLKVDB-DOTOQJQBSA-N 2 0 356.470 3.176 20 0 FGADRP CC1CC[NH+](CCCNC(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2)CC1 ZINC000607282905 507676773 /nfs/dbraw/zinc/67/67/73/507676773.db2.gz SKSRQGHQEDOLOZ-OAQYLSRUSA-N 2 0 357.542 3.279 20 0 FGADRP COC(=O)c1cc2cc(C[N@@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]C4)C3)ccc2o1 ZINC000592491899 507678330 /nfs/dbraw/zinc/67/83/30/507678330.db2.gz PYOHSSSBLYLILH-IAGOWNOFSA-N 2 0 356.466 3.431 20 0 FGADRP CO[C@]1(C(F)(F)F)CCC[N@H+](Cc2cccc(CN3CCOCC3)c2)C1 ZINC000643252195 568377865 /nfs/dbraw/zinc/37/78/65/568377865.db2.gz MPMGZDQKGWDNIN-GOSISDBHSA-N 2 0 372.431 3.062 20 0 FGADRP c1ccc(C[N@@H+]2CCCO[C@H](CN[C@@H]3CCC[C@H]3[C@@H]3CCCC[NH2+]3)C2)cc1 ZINC000390870899 568396238 /nfs/dbraw/zinc/39/62/38/568396238.db2.gz OUGSNHQYRHYREB-WZYRSQIMSA-N 2 0 371.569 3.178 20 0 FGADRP CC(C)CC[NH+]1CCC(C[NH2+][C@H](C)c2ccc(-c3nn[nH]n3)cc2F)CC1 ZINC000824249179 609338284 /nfs/dbraw/zinc/33/82/84/609338284.db2.gz JMGWZBZFLLXDOY-OAHLLOKOSA-N 2 0 374.508 3.415 20 0 FGADRP c1cc(C[NH+]2CCCCC2)ccc1C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC000826515912 609354161 /nfs/dbraw/zinc/35/41/61/609354161.db2.gz PQTSXKCWWGYZJM-UHFFFAOYSA-N 2 0 362.481 3.142 20 0 FGADRP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+]C2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000120838132 700660942 /nfs/dbraw/zinc/66/09/42/700660942.db2.gz AWZLHKARTGRRSO-KRWDZBQOSA-N 2 0 353.551 3.344 20 0 FGADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]CC2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000132831848 700831910 /nfs/dbraw/zinc/83/19/10/700831910.db2.gz PBFBRDXGPWSNMB-SFHVURJKSA-N 2 0 353.551 3.344 20 0 FGADRP COc1cc(C[NH2+][C@@H](C)C2CC[NH+](C)CC2)ccc1OCC(F)(F)F ZINC000151015391 704908812 /nfs/dbraw/zinc/90/88/12/704908812.db2.gz XNVOISJTEPGJBK-ZDUSSCGKSA-N 2 0 360.420 3.456 20 0 FGADRP CC(C)(C)OC(=O)N1CC[C@H](C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)C1 ZINC000172831096 705431285 /nfs/dbraw/zinc/43/12/85/705431285.db2.gz GBXKDZWRSGZRPS-MSOLQXFVSA-N 2 0 351.535 3.194 20 0 FGADRP Clc1ccc(Cl)c(OCC[NH+]2CCC(C[NH+]3CCOCC3)CC2)c1 ZINC000195665784 713560122 /nfs/dbraw/zinc/56/01/22/713560122.db2.gz GXXKFIYMSWJKOZ-UHFFFAOYSA-N 2 0 373.324 3.416 20 0 FGADRP CC[NH+](CC)C[C@@H]1CC[N@H+](C[C@@]2(C)CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000248665801 713656039 /nfs/dbraw/zinc/65/60/39/713656039.db2.gz MMHOTVFDRAABDQ-FXAWDEMLSA-N 2 0 353.551 3.297 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)[C@@H](C)[C@H](C)[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000248960299 713661825 /nfs/dbraw/zinc/66/18/25/713661825.db2.gz BXQRBBOACUSFKN-HEHGZKQESA-N 2 0 359.436 3.188 20 0 FGADRP CCCC[NH+]1CCC(NC(=O)N(C)CCCC[NH+]2CCCCC2)CC1 ZINC000641784792 717929880 /nfs/dbraw/zinc/92/98/80/717929880.db2.gz VNBSCIRQBOTNLN-UHFFFAOYSA-N 2 0 352.567 3.158 20 0 FGADRP COCC[C@@H]1CCC[C@@H]1[NH2+]CC1(N2CC[NH+](C)CC2)CCCCCC1 ZINC000374287727 713910494 /nfs/dbraw/zinc/91/04/94/713910494.db2.gz MPSWHOLQYWYCJU-PMACEKPBSA-N 2 0 351.579 3.122 20 0 FGADRP CC(C)N1CCc2nc(C[NH2+][C@@](C)(CO)C3CCCCC3)sc2C1 ZINC000374612882 713934464 /nfs/dbraw/zinc/93/44/64/713934464.db2.gz NMLGADDSSCRTAY-IBGZPJMESA-N 2 0 351.560 3.331 20 0 FGADRP CC(C)C[NH+]1CCC([NH2+][C@H]2CC[C@H](CNC(=O)OC(C)(C)C)C2)CC1 ZINC000382450542 713980017 /nfs/dbraw/zinc/98/00/17/713980017.db2.gz DWVDICYIZBGFGY-WMZOPIPTSA-N 2 0 353.551 3.390 20 0 FGADRP CC[NH+]1CCC(C[NH2+][C@@H]2CCCC[C@@H]2CNC(=O)OC(C)(C)C)CC1 ZINC000384457586 713982142 /nfs/dbraw/zinc/98/21/42/713982142.db2.gz ZZEVZDAEWPWFAD-QZTJIDSGSA-N 2 0 353.551 3.391 20 0 FGADRP C[C@H]([NH2+][C@H]1CCCC[C@H]1CNC(=O)OC(C)(C)C)C1CC[NH+](C)CC1 ZINC000385486401 713983540 /nfs/dbraw/zinc/98/35/40/713983540.db2.gz DXYGQGKAKXHUGW-SZMVWBNQSA-N 2 0 353.551 3.390 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1CCC(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457071500 714064197 /nfs/dbraw/zinc/06/41/97/714064197.db2.gz PWXKCJFMJJIDFS-OAHLLOKOSA-N 2 0 363.468 3.126 20 0 FGADRP OC1CC[NH+](Cc2ccccc2C[NH2+]Cc2scnc2C2CC2)CC1 ZINC000487324868 714098831 /nfs/dbraw/zinc/09/88/31/714098831.db2.gz WAROUZNKDXTGEH-UHFFFAOYSA-N 2 0 357.523 3.267 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)NC[C@@H]1CC[N@@H+](C(C)C)C1)c1ccsc1 ZINC000523812592 714253959 /nfs/dbraw/zinc/25/39/59/714253959.db2.gz MFWIVYLLIIEXDK-WMZOPIPTSA-N 2 0 366.575 3.161 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000525372920 714347539 /nfs/dbraw/zinc/34/75/39/714347539.db2.gz HMYHVPJNYHPDKR-OAHLLOKOSA-N 2 0 370.900 3.359 20 0 FGADRP CC1CC[NH+]([C@H](CNC(=O)CC[C@H]2CCC[NH2+]C2)c2cccs2)CC1 ZINC000621641144 715013721 /nfs/dbraw/zinc/01/37/21/715013721.db2.gz BESPDYUHRMHKBH-QZTJIDSGSA-N 2 0 363.571 3.417 20 0 FGADRP Brc1ccc([C@H]([NH2+]C[C@@H]2CCC[NH2+]C2)[C@H]2CCCO2)cc1 ZINC000643500787 718036976 /nfs/dbraw/zinc/03/69/76/718036976.db2.gz INDYOUNTBDPUEY-XYPHTWIQSA-N 2 0 353.304 3.258 20 0 FGADRP Brc1ccc([C@H]([NH2+][C@@H]2CC23CC[NH2+]CC3)[C@@H]2CCCO2)cc1 ZINC000643534837 718038006 /nfs/dbraw/zinc/03/80/06/718038006.db2.gz DNJDECXSLYKQOU-BBWFWOEESA-N 2 0 365.315 3.401 20 0 FGADRP C[N@@H+]1CC[C@@H]([NH2+][C@@H]2CCN(c3ccc(Br)cc3)C2)CC1(C)C ZINC000623399248 715327723 /nfs/dbraw/zinc/32/77/23/715327723.db2.gz CZHQMBHTSSKPJV-HZPDHXFCSA-N 2 0 366.347 3.490 20 0 FGADRP CCc1nc(CN2CCC(C[NH2+][C@H]3CC[N@H+](C)C(C)(C)C3)CC2)cs1 ZINC000623414154 715331108 /nfs/dbraw/zinc/33/11/08/715331108.db2.gz VTVFQXLJGXOFAX-KRWDZBQOSA-N 2 0 364.603 3.380 20 0 FGADRP C[N@@H+]1CC[C@H]([NH2+]C[C@H](CO)Cc2ccc(C(F)(F)F)cc2)CC1(C)C ZINC000623454520 715340066 /nfs/dbraw/zinc/34/00/66/715340066.db2.gz ILLQLTOISQBTBK-WBVHZDCISA-N 2 0 358.448 3.319 20 0 FGADRP C[C@H](C[NH2+][C@H]1CCCC[C@@H]1Sc1ccc(F)cc1)N1CC[NH+](C)CC1 ZINC000623888584 715424713 /nfs/dbraw/zinc/42/47/13/715424713.db2.gz MAIIPTGWRSIZKU-UXPWSPDFSA-N 2 0 365.562 3.455 20 0 FGADRP C[NH+]1CCC(O)(C[NH2+][C@@H]2CCCC[C@@H]2Sc2ccc(F)cc2)CC1 ZINC000623897285 715426925 /nfs/dbraw/zinc/42/69/25/715426925.db2.gz KDOBFJVIJFUNIF-MSOLQXFVSA-N 2 0 352.519 3.275 20 0 FGADRP CN(CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21)CC(F)F ZINC000624329106 715512348 /nfs/dbraw/zinc/51/23/48/715512348.db2.gz MGJZRLZMDRNZES-GUDVDZBRSA-N 2 0 351.485 3.216 20 0 FGADRP C[NH+](C)C[C@@H](NC(=O)NC1CCC([NH3+])CC1)c1ccc(Cl)c(Cl)c1 ZINC000627076944 715993294 /nfs/dbraw/zinc/99/32/94/715993294.db2.gz NLLGZFJXXPDFCS-SEEARECTSA-N 2 0 373.328 3.165 20 0 FGADRP CN(C)CC[NH+]1CCC(C[NH2+]CCc2cccc(C(F)(F)F)c2)CC1 ZINC000628214380 716126269 /nfs/dbraw/zinc/12/62/69/716126269.db2.gz VDHOWXGLJNQAHF-UHFFFAOYSA-N 2 0 357.464 3.111 20 0 FGADRP CC(C)[C@@H]1C[C@H]([NH2+]Cc2c(Cl)cccc2N2CC[NH+](C)CC2)CCO1 ZINC000628231904 716127627 /nfs/dbraw/zinc/12/76/27/716127627.db2.gz FYMJNWGULAFJPN-UZLBHIALSA-N 2 0 365.949 3.385 20 0 FGADRP C[C@H]([NH2+]CCCC[NH+]1CCN(C)CC1)c1cc(Cl)c(N)c(Cl)c1 ZINC000774379697 723886558 /nfs/dbraw/zinc/88/65/58/723886558.db2.gz BZPYWAORQOYWKL-ZDUSSCGKSA-N 2 0 359.345 3.254 20 0 FGADRP c1cc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)cc(N2CCSCC2)n1 ZINC000635009937 717139461 /nfs/dbraw/zinc/13/94/61/717139461.db2.gz PFKADRSEOSMRLS-CEXWTWQISA-N 2 0 360.571 3.035 20 0 FGADRP C[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)c1ccc(S(C)(=O)=O)cc1 ZINC000635013621 717139652 /nfs/dbraw/zinc/13/96/52/717139652.db2.gz UHRINBAIDYHICD-XWPNQZOQSA-N 2 0 364.555 3.094 20 0 FGADRP CCCC[NH+]1CCC(NC(=O)[C@@H]([NH3+])c2ccc(C(F)(F)F)cc2)CC1 ZINC000638088520 717406999 /nfs/dbraw/zinc/40/69/99/717406999.db2.gz NCYGRRPMMWSGIN-INIZCTEOSA-N 2 0 357.420 3.086 20 0 FGADRP C[C@@H]1C[C@H]([NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)CS1 ZINC000639210942 717532485 /nfs/dbraw/zinc/53/24/85/717532485.db2.gz PQEDONOQAMLYFQ-RLLQIKCJSA-N 2 0 360.567 3.399 20 0 FGADRP CC(C)(O)C[NH+]1CCC([NH2+]C/C=C\c2ccc(Br)cc2)CC1 ZINC000639228628 717534515 /nfs/dbraw/zinc/53/45/15/717534515.db2.gz VGZILMBIMAELRM-ARJAWSKDSA-N 2 0 367.331 3.287 20 0 FGADRP c1cc2nsnc2c(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)c1 ZINC000780331409 724457975 /nfs/dbraw/zinc/45/79/75/724457975.db2.gz TWKKNSJRXXEQDK-UHFFFAOYSA-N 2 0 360.527 3.016 20 0 FGADRP C[N@H+](CCCC[NH+]1CCCCC1)Cc1ccc(OCC(F)(F)F)nn1 ZINC000640534919 717761224 /nfs/dbraw/zinc/76/12/24/717761224.db2.gz XIGDBDNAXUQLRS-UHFFFAOYSA-N 2 0 360.424 3.116 20 0 FGADRP C[NH+]1CCC(N2CC[C@@H]([NH2+][C@H](Cc3ccccc3Cl)C3CC3)C2)CC1 ZINC000645409085 718208555 /nfs/dbraw/zinc/20/85/55/718208555.db2.gz VSFHYKXCELOVJZ-WIYYLYMNSA-N 2 0 361.961 3.419 20 0 FGADRP C[C@H]([NH2+][C@H](CCO)c1cccc(OC(F)(F)F)c1)C1CC[NH+](C)CC1 ZINC000647330126 718349948 /nfs/dbraw/zinc/34/99/48/718349948.db2.gz CVTXXINSVINTDL-SUMWQHHRSA-N 2 0 360.420 3.329 20 0 FGADRP C[C@H](Cc1ccc(F)c(Br)c1)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000647549822 718367165 /nfs/dbraw/zinc/36/71/65/718367165.db2.gz SLQOXVHKEXFIGO-UQOMUDLDSA-N 2 0 355.295 3.497 20 0 FGADRP C[C@H](C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)Oc1ccccc1Br ZINC000647789022 718377705 /nfs/dbraw/zinc/37/77/05/718377705.db2.gz WZPNFRPQKPQLSY-APIJFGDWSA-N 2 0 353.304 3.194 20 0 FGADRP C[C@H](Cc1cc(Br)ccc1F)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000647794170 718377903 /nfs/dbraw/zinc/37/79/03/718377903.db2.gz SLOMZAUXWJDOCZ-FAXLKDOZSA-N 2 0 355.295 3.497 20 0 FGADRP COc1cc(Br)ccc1[C@H](C)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000647795691 718378188 /nfs/dbraw/zinc/37/81/88/718378188.db2.gz UAIKKHXYBWFMJQ-PWNZVWSESA-N 2 0 353.304 3.496 20 0 FGADRP FC(F)(F)c1ccccc1N1CC[C@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000647795874 718378247 /nfs/dbraw/zinc/37/82/47/718378247.db2.gz YNTAMIQLHBRULD-JJXSEGSLSA-N 2 0 353.432 3.262 20 0 FGADRP C[C@H](C(=O)NCc1ccccc1Cl)[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647976246 718391296 /nfs/dbraw/zinc/39/12/96/718391296.db2.gz MBKBMYPIQZJHOE-NUJGCVRESA-N 2 0 363.933 3.056 20 0 FGADRP C[N@H+](Cc1cc2cc(Cl)cnc2o1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000648586029 718438128 /nfs/dbraw/zinc/43/81/28/718438128.db2.gz VJIURSRBXBSJBY-QGZVFWFLSA-N 2 0 362.905 3.082 20 0 FGADRP CCc1ccc([C@H](CNC(=O)[C@H]([NH3+])c2cccc(Cl)c2)[NH+](C)C)cc1 ZINC000649278731 718500915 /nfs/dbraw/zinc/50/09/15/718500915.db2.gz YOHDPNQFEZUXIZ-RBUKOAKNSA-N 2 0 359.901 3.321 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)[C@@H]2C[NH2+]CCC2(F)F)cc1 ZINC000649288274 718501226 /nfs/dbraw/zinc/50/12/26/718501226.db2.gz HHCCCFOEDCFUJG-PBHICJAKSA-N 2 0 351.441 3.244 20 0 FGADRP C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@@H]3C[NH2+]CCC3(F)F)cc2)C1 ZINC000649288208 718501434 /nfs/dbraw/zinc/50/14/34/718501434.db2.gz CZHSPBRXZWOHIW-PBHICJAKSA-N 2 0 351.441 3.102 20 0 FGADRP CC(C)c1ccc(-c2ncc(C[N@H+](C)CCN3CC[NH2+]CC3)s2)cc1 ZINC000649409638 718512528 /nfs/dbraw/zinc/51/25/28/718512528.db2.gz HCUGMHJIJIIJCJ-UHFFFAOYSA-N 2 0 358.555 3.271 20 0 FGADRP C[NH2+]Cc1ccccc1C[NH2+]Cc1cnc2c(C)cc(Br)cn12 ZINC000650719489 718719530 /nfs/dbraw/zinc/71/95/30/718719530.db2.gz RQBSJYBUVXKTFC-UHFFFAOYSA-N 2 0 373.298 3.414 20 0 FGADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@@H+]2Cc2ccc(Br)cc2)C1 ZINC000650722276 718720098 /nfs/dbraw/zinc/72/00/98/718720098.db2.gz OPTOVPSALDWHMB-BRWVUGGUSA-N 2 0 353.304 3.310 20 0 FGADRP COc1ccc(Cl)cc1NC(=O)CC[N@@H+]1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000652354083 718935846 /nfs/dbraw/zinc/93/58/46/718935846.db2.gz MRMVGRPDYNGEBF-BBRMVZONSA-N 2 0 353.894 3.127 20 0 FGADRP CCC[N@@H+]1CCCC[C@H]1c1ccc(-n2c(C)nc3c2CC[NH2+]CC3)nc1 ZINC001164427133 718949120 /nfs/dbraw/zinc/94/91/20/718949120.db2.gz BFLVCMKLNOMAIW-IBGZPJMESA-N 2 0 353.514 3.201 20 0 FGADRP C[C@H]1C[C@@H](C[NH3+])CN1C(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000652613547 718966385 /nfs/dbraw/zinc/96/63/85/718966385.db2.gz WBXGMNOGJPLXOI-HOTGVXAUSA-N 2 0 362.543 3.076 20 0 FGADRP CC1([NH3+])CCN(C(=O)Nc2ccc(SCC[NH+]3CCCC3)cc2)CC1 ZINC000652613978 718966548 /nfs/dbraw/zinc/96/65/48/718966548.db2.gz JVASECACEOYMJV-UHFFFAOYSA-N 2 0 362.543 3.220 20 0 FGADRP CO[C@H](C[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)C(F)(F)F ZINC000781421357 724562984 /nfs/dbraw/zinc/56/29/84/724562984.db2.gz JBOUXCPAWHIXQX-XMTFNYHQSA-N 2 0 356.432 3.454 20 0 FGADRP CC[NH+](CC)Cc1ccc(C(=O)N(CC[NH+](C)C)Cc2ccsc2)o1 ZINC000655375125 719288534 /nfs/dbraw/zinc/28/85/34/719288534.db2.gz QCZRATZBJFETEM-UHFFFAOYSA-N 2 0 363.527 3.387 20 0 FGADRP Cc1c(Br)cncc1C[NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000657368066 719634958 /nfs/dbraw/zinc/63/49/58/719634958.db2.gz UDZMLPCRLHZLFQ-ZIAGYGMSSA-N 2 0 370.335 3.132 20 0 FGADRP COC[C@@H](C[NH2+]Cc1ccnn1-c1cc[nH+]cc1)c1ccc(Cl)cc1 ZINC000657481903 719658796 /nfs/dbraw/zinc/65/87/96/719658796.db2.gz ZWQMWLSSTASEAZ-MRXNPFEDSA-N 2 0 356.857 3.441 20 0 FGADRP Cc1ncsc1-c1ccc(C[NH2+][C@@H](C)CN(C)CCC[NH+](C)C)cc1 ZINC000657574092 719677032 /nfs/dbraw/zinc/67/70/32/719677032.db2.gz ZSKCBBXSBCVOQH-INIZCTEOSA-N 2 0 360.571 3.480 20 0 FGADRP C[C@@H](Cc1ccc(Cl)c(C(F)(F)F)c1)[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000657846723 719720278 /nfs/dbraw/zinc/72/02/78/719720278.db2.gz QAZSOHHMJQSCSW-JSGCOSHPSA-N 2 0 364.839 3.336 20 0 FGADRP C[C@@H](Cc1ccc(Cl)c(C(F)(F)F)c1)[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000657889685 719726101 /nfs/dbraw/zinc/72/61/01/719726101.db2.gz SXTLAAMTLFMGGW-LBPRGKRZSA-N 2 0 364.839 3.336 20 0 FGADRP O[C@H]1CC[N@H+](Cc2ccc(C[NH2+][C@H]3Cc4ccc(Cl)cc4C3)cc2)C1 ZINC000658135790 719761522 /nfs/dbraw/zinc/76/15/22/719761522.db2.gz AUMZIFJSRQRKQS-SFTDATJTSA-N 2 0 356.897 3.164 20 0 FGADRP FC1(F)C[C@@H]1OCC[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000658166589 719765010 /nfs/dbraw/zinc/76/50/10/719765010.db2.gz BOGQNOIVJIIKDL-MANSERQUSA-N 2 0 350.453 3.301 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H](N[C@H]2CC[NH+](C3CCCCC3)C2)[C@@H](C)C1 ZINC000658230273 719771651 /nfs/dbraw/zinc/77/16/51/719771651.db2.gz XKHLGPVAFVYZJU-ZJOUEHCJSA-N 2 0 351.579 3.120 20 0 FGADRP CN(C)c1cccc(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)[nH+]1 ZINC001164694655 719887332 /nfs/dbraw/zinc/88/73/32/719887332.db2.gz BSTQNGJRKRSFHY-UHFFFAOYSA-N 2 0 372.538 3.081 20 0 FGADRP CC[C@H](C)[N@H+](CC)CC(=O)Nc1nc(CN2CCC(C)CC2)cs1 ZINC000661104216 720188459 /nfs/dbraw/zinc/18/84/59/720188459.db2.gz JVGGDQRLYROOTO-HNNXBMFYSA-N 2 0 352.548 3.434 20 0 FGADRP CC[NH+](CC)CCCN(Cc1ccc(Cl)cc1)C[C@@H]1CCC(=O)N1 ZINC000661576767 720279141 /nfs/dbraw/zinc/27/91/41/720279141.db2.gz ZUXCPLUYWLILLO-SFHVURJKSA-N 2 0 351.922 3.153 20 0 FGADRP COc1ccccc1C[N@@H+](Cc1cccs1)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662249368 720404844 /nfs/dbraw/zinc/40/48/44/720404844.db2.gz UKGKEZCHYNPADJ-QGZVFWFLSA-N 2 0 358.507 3.280 20 0 FGADRP Brc1cccc([C@@H]2CCC[N@@H+]2C[C@H]2CCC3(C[NH2+]C3)O2)c1 ZINC000662252654 720405469 /nfs/dbraw/zinc/40/54/69/720405469.db2.gz QHKSNYUMLKVXDE-CVEARBPZSA-N 2 0 351.288 3.107 20 0 FGADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@H+](CCSc3ccc(F)cc3F)C2)C1 ZINC000662285550 720409923 /nfs/dbraw/zinc/40/99/23/720409923.db2.gz LJFCFGSSKFOZRK-UNEWFSDZSA-N 2 0 356.482 3.275 20 0 FGADRP COc1cccc(SCC[N@@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)c1 ZINC000662285191 720410068 /nfs/dbraw/zinc/41/00/68/720410068.db2.gz ZHFFTNQTLXHJDB-ATZDWAIDSA-N 2 0 350.528 3.148 20 0 FGADRP CSc1ccccc1NC(=O)CC[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662290708 720410685 /nfs/dbraw/zinc/41/06/85/720410685.db2.gz IMFOSSGGSPFAJW-QGZVFWFLSA-N 2 0 361.555 3.449 20 0 FGADRP CC[NH+]1CCN(CCNc2cc[nH+]c3cc(C(F)(F)F)ccc23)CC1 ZINC000663395668 720509749 /nfs/dbraw/zinc/50/97/49/720509749.db2.gz BWOAKKYAGBGJQK-UHFFFAOYSA-N 2 0 352.404 3.303 20 0 FGADRP COCCc1nc(C)c([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)s1 ZINC000663467084 720517922 /nfs/dbraw/zinc/51/79/22/720517922.db2.gz CTQCHEIHSWIAHQ-PBHICJAKSA-N 2 0 351.560 3.413 20 0 FGADRP C[NH2+]CCCC(=O)N1CCC([NH2+][C@@H](C)[C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000665288910 720750640 /nfs/dbraw/zinc/75/06/40/720750640.db2.gz AQAUFFNCZTVWML-CVEARBPZSA-N 2 0 365.949 3.412 20 0 FGADRP C[NH2+]CCCC(=O)N1CCC([NH2+][C@H](c2ccc(Cl)cc2)C2CC2)CC1 ZINC000665287738 720750653 /nfs/dbraw/zinc/75/06/53/720750653.db2.gz STVONDZVOFNMBS-FQEVSTJZSA-N 2 0 363.933 3.371 20 0 FGADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1cn(-c2cccc(Cl)c2Cl)nn1 ZINC000666918058 720999890 /nfs/dbraw/zinc/99/98/90/720999890.db2.gz FRNZJRKAHVJZLM-XRMLZUONSA-N 2 0 366.296 3.180 20 0 FGADRP C[C@H]1CC[C@H](NC2CC[NH+](C(C)(C)CC(C)(C)C)CC2)CS1(=O)=O ZINC000668562910 721311310 /nfs/dbraw/zinc/31/13/10/721311310.db2.gz RVYQLPNRQFXBIH-RDJZCZTQSA-N 2 0 358.592 3.221 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N[C@@H]1CCC[NH2+]CC1)c1ccccc1Cl ZINC000668649589 721326398 /nfs/dbraw/zinc/32/63/98/721326398.db2.gz WJJVBMBRCZEJEG-CRAIPNDOSA-N 2 0 366.937 3.164 20 0 FGADRP Cc1cccc(N(c2cc(C[NH+](C)C)ccn2)[C@H]2CO[C@@]3(CC[NH2+]C3)C2)c1 ZINC001164777829 721329337 /nfs/dbraw/zinc/32/93/37/721329337.db2.gz RHKQDOHFUYIZJM-IRLDBZIGSA-N 2 0 366.509 3.111 20 0 FGADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000675175620 721735575 /nfs/dbraw/zinc/73/55/75/721735575.db2.gz HCSMUKLGBHXCAC-DLBZAZTESA-N 2 0 364.559 3.059 20 0 FGADRP COc1ccc([C@@H](C)[NH2+][C@H]2CCN(C3CC[NH+](C)CC3)C2)cc1Cl ZINC000675876664 721777400 /nfs/dbraw/zinc/77/74/00/721777400.db2.gz YVYQCDWIDSSDCA-ZBFHGGJFSA-N 2 0 351.922 3.168 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+][C@@H]1CCS(=O)(=O)c2ccc(F)cc21 ZINC000678806701 721979901 /nfs/dbraw/zinc/97/99/01/721979901.db2.gz QBRUJFKYJSQLII-CRAIPNDOSA-N 2 0 368.518 3.288 20 0 FGADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@H]1CCc2c1cccc2Cl ZINC000678842012 721984416 /nfs/dbraw/zinc/98/44/16/721984416.db2.gz CUDXDEKGBOIZHL-SFHVURJKSA-N 2 0 365.949 3.102 20 0 FGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+][C@H](C)CCCCO)CC1 ZINC000679341030 722024231 /nfs/dbraw/zinc/02/42/31/722024231.db2.gz WBCOPNFHAUMBPV-SJORKVTESA-N 2 0 351.510 3.169 20 0 FGADRP C[NH+]1CCN(C(C)(C)C[NH2+]Cc2cc(Cl)ccc2OCC2CC2)CC1 ZINC000684662149 722351285 /nfs/dbraw/zinc/35/12/85/722351285.db2.gz CALLLBIEFQBLFO-UHFFFAOYSA-N 2 0 365.949 3.244 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1ncc(C(C)(C)C)s1 ZINC000685456124 722385632 /nfs/dbraw/zinc/38/56/32/722385632.db2.gz QRBQRHBYFFRAOV-MRXNPFEDSA-N 2 0 352.592 3.289 20 0 FGADRP C[N@H+](Cc1ccc(C(F)(F)F)s1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000685457136 722385923 /nfs/dbraw/zinc/38/59/23/722385923.db2.gz FCZPPTUMCREQQM-CQSZACIVSA-N 2 0 361.477 3.367 20 0 FGADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H]2C[C@H]3CC[C@@H]([C@@H]2C)N3C(=O)OC(C)(C)C)C1 ZINC000709293979 722412935 /nfs/dbraw/zinc/41/29/35/722412935.db2.gz XDKQWEBRQQFONT-ZKXLYKBJSA-N 2 0 351.535 3.094 20 0 FGADRP CC[NH+](CC)C[C@H](C)NC(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000726245022 722432421 /nfs/dbraw/zinc/43/24/21/722432421.db2.gz MNNRMIHPSDAYAN-KRWDZBQOSA-N 2 0 352.567 3.061 20 0 FGADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C[C@H]1C ZINC000740886772 722539200 /nfs/dbraw/zinc/53/92/00/722539200.db2.gz ZJKWFLWLJKLAGY-SQNIBIBYSA-N 2 0 353.551 3.438 20 0 FGADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C[C@@H]1C ZINC000740886768 722539212 /nfs/dbraw/zinc/53/92/12/722539212.db2.gz ZJKWFLWLJKLAGY-BZSNNMDCSA-N 2 0 353.551 3.438 20 0 FGADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)/C=C/c1ccccc1Cl ZINC000747225829 722637287 /nfs/dbraw/zinc/63/72/87/722637287.db2.gz AAYAHIRZSOZPBK-VAWYXSNFSA-N 2 0 351.922 3.085 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)/C=C/c1ccc(Cl)cc1 ZINC000750734480 722779522 /nfs/dbraw/zinc/77/95/22/722779522.db2.gz GQBWAQUJZBUKQB-DLENHJPASA-N 2 0 363.933 3.228 20 0 FGADRP CC(C)N1CCc2nc(NC(=O)CCCC[NH+]3CCCC3)sc2C1 ZINC000752840874 722874389 /nfs/dbraw/zinc/87/43/89/722874389.db2.gz RKMCMPWJYBVODV-UHFFFAOYSA-N 2 0 350.532 3.114 20 0 FGADRP C[C@@H]([NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1)c1ccc(Cl)nc1 ZINC000760167070 723041150 /nfs/dbraw/zinc/04/11/50/723041150.db2.gz GULPLNAWFBEESF-CQSZACIVSA-N 2 0 366.937 3.012 20 0 FGADRP CCCC[N@@H+]1Cc2ccc(NC(=S)NCC3CC[NH+](C)CC3)cc2C1 ZINC000760476921 723058212 /nfs/dbraw/zinc/05/82/12/723058212.db2.gz LGMASTYNQKNIFO-UHFFFAOYSA-N 2 0 360.571 3.431 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)C1([NH+](C)C)CCC1)c1ccccc1Cl ZINC000762963352 723299013 /nfs/dbraw/zinc/29/90/13/723299013.db2.gz FCLHOIOEMMXCER-QGZVFWFLSA-N 2 0 351.922 3.323 20 0 FGADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]C[C@@](C)(O)c1cccc(Cl)c1 ZINC000764984374 723466035 /nfs/dbraw/zinc/46/60/35/723466035.db2.gz VBVKJRFJCQIQLH-LJQANCHMSA-N 2 0 356.857 3.226 20 0 FGADRP C[C@H](CSC(C)(C)C)[NH2+][C@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC000766120643 723556807 /nfs/dbraw/zinc/55/68/07/723556807.db2.gz AENJUUYNQWJQMK-NEWSRXKRSA-N 2 0 350.572 3.379 20 0 FGADRP CCC[N@H+](C)[C@H](CNC(=S)NCCC[NH+](C)C)c1ccc(Cl)cc1 ZINC000795092689 723562368 /nfs/dbraw/zinc/56/23/68/723562368.db2.gz UCLATXIVOYDORN-QGZVFWFLSA-N 2 0 370.994 3.139 20 0 FGADRP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CC[C@@H]2[C@@H](CCN2C(=O)OC(C)(C)C)C1 ZINC000795102532 723563151 /nfs/dbraw/zinc/56/31/51/723563151.db2.gz URXVTQAOUMFKCM-RCCFBDPRSA-N 2 0 351.535 3.192 20 0 FGADRP COCC[N@H+](C)CCCC1CC[NH+](Cc2cccc3nsnc32)CC1 ZINC000766978724 723602274 /nfs/dbraw/zinc/60/22/74/723602274.db2.gz WIACBORGOOLHOB-UHFFFAOYSA-N 2 0 362.543 3.262 20 0 FGADRP C[NH+](C)CC1CC[NH+](Cc2ccccc2I)CC1 ZINC000768302601 723653430 /nfs/dbraw/zinc/65/34/30/723653430.db2.gz OADPDNQCIQBJQY-UHFFFAOYSA-N 2 0 358.267 3.065 20 0 FGADRP COc1c(C)cc([C@@H](C)[NH2+][C@H](C)CCN2CC[NH+](C)CC2)cc1Cl ZINC000796945097 723660347 /nfs/dbraw/zinc/66/03/47/723660347.db2.gz LBZPLFQEXSLESI-HZPDHXFCSA-N 2 0 353.938 3.334 20 0 FGADRP C(C1CCCCC1)[NH+]1CCC([NH2+][C@H]2CCOC3(CCOCC3)C2)CC1 ZINC000773080367 723776214 /nfs/dbraw/zinc/77/62/14/723776214.db2.gz LGXXANFNGVQXSR-FQEVSTJZSA-N 2 0 350.547 3.349 20 0 FGADRP CC[NH+](CC)Cc1cc([C@@H](C)[NH2+]CC2([S@@](C)=O)CCC2)ccc1OC ZINC000798004161 723897748 /nfs/dbraw/zinc/89/77/48/723897748.db2.gz KMTHVGWAPXJEHI-PUAOIOHZSA-N 2 0 366.571 3.489 20 0 FGADRP C[NH+](C)CCOc1cccc(C[NH2+][C@@H]2CC[C@@H]3SCCS[C@H]23)c1 ZINC000775379008 723986773 /nfs/dbraw/zinc/98/67/73/723986773.db2.gz PUOJAPOBURYTNX-FGTMMUONSA-N 2 0 352.569 3.096 20 0 FGADRP C[NH+](C)[C@@H]1CCC[N@H+](CC[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000801949004 724349650 /nfs/dbraw/zinc/34/96/50/724349650.db2.gz AKGYXAIKAKBUMM-ZWKOTPCHSA-N 2 0 353.551 3.440 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@H](O)c2cc(F)cc(Cl)c2)[C@@H](C)C1 ZINC000787034973 725014424 /nfs/dbraw/zinc/01/44/24/725014424.db2.gz MIBDGBAFHFGYHS-ZOCIIQOWSA-N 2 0 372.912 3.239 20 0 FGADRP O[C@H]1CC[N@H+](Cc2ccccc2C[NH2+][C@@H]2CCc3nc(Cl)ccc32)C1 ZINC000806157435 725118672 /nfs/dbraw/zinc/11/86/72/725118672.db2.gz FVOGJLGYFPLEBK-FUHWJXTLSA-N 2 0 357.885 3.079 20 0 FGADRP C[C@@H]1C[C@@H](C[NH2+]C2CCC([NH+](C)C)CC2)CCN1C(=O)OC(C)(C)C ZINC000817413916 727248976 /nfs/dbraw/zinc/24/89/76/727248976.db2.gz LYOBFFJNYHUFDH-VEZWFGLTSA-N 2 0 353.551 3.484 20 0 FGADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C[C@@H](O)c1cc(Cl)c2c(c1)OCCO2 ZINC000817896719 727287288 /nfs/dbraw/zinc/28/72/88/727287288.db2.gz QJBXPNLMGLCFDQ-UKPHBRMFSA-N 2 0 368.905 3.045 20 0 FGADRP C[NH+](C)Cc1cccc(C[NH2+]C[C@@H](O)c2cccc(Br)c2)c1 ZINC000818953206 727329774 /nfs/dbraw/zinc/32/97/74/727329774.db2.gz ISWWJTROBDYOJV-GOSISDBHSA-N 2 0 363.299 3.334 20 0 FGADRP O[C@@H](C[NH2+]C1CC[NH+](CC2CCCCC2)CC1)COCc1cccs1 ZINC000818983475 727333930 /nfs/dbraw/zinc/33/39/30/727333930.db2.gz JMADGSGPXXSUSQ-IBGZPJMESA-N 2 0 366.571 3.260 20 0 FGADRP C[NH+](C)CC[C@@H]([NH2+]C[C@H](O)c1ccccc1Br)C(C)(C)C ZINC000819082301 727345660 /nfs/dbraw/zinc/34/56/60/727345660.db2.gz PGXMZFHBUJDQTM-JKSUJKDBSA-N 2 0 357.336 3.439 20 0 FGADRP C[C@H]1C[N@H+](CCC[NH2+]C[C@H](O)c2ccc(Cl)cc2Cl)CCCO1 ZINC000819265036 727362630 /nfs/dbraw/zinc/36/26/30/727362630.db2.gz LAQSBVIBSAOCAJ-GUYCJALGSA-N 2 0 361.313 3.117 20 0 FGADRP COC(=O)N1CCC([NH2+]C2CC[NH+](C(C)(C)CC(C)(C)C)CC2)CC1 ZINC000823709439 729300140 /nfs/dbraw/zinc/30/01/40/729300140.db2.gz SAQYZWXSZOUMCX-UHFFFAOYSA-N 2 0 353.551 3.486 20 0 FGADRP CCC[NH+]1CCC([NH2+]C[C@H]2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)CC1 ZINC000824081032 729319051 /nfs/dbraw/zinc/31/90/51/729319051.db2.gz RPUFLWQFJITHRW-IRXDYDNUSA-N 2 0 353.551 3.486 20 0 FGADRP CCOC(=O)N1CC[C@H]([NH2+]C2CC[NH+](C(C)(C)CC(C)(C)C)CC2)C1 ZINC000824187060 729323173 /nfs/dbraw/zinc/32/31/73/729323173.db2.gz BPZASBHDQPKUGO-KRWDZBQOSA-N 2 0 353.551 3.486 20 0 FGADRP CC(C)[C@H](CNC(=O)OC(C)(C)C)C[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000824320918 729330607 /nfs/dbraw/zinc/33/06/07/729330607.db2.gz MMCMNYAUOWJROC-AOCRQIFASA-N 2 0 353.551 3.390 20 0 FGADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)C[C@@H]([NH3+])c1cc(C)nc(Cl)c1 ZINC000828049289 729439192 /nfs/dbraw/zinc/43/91/92/729439192.db2.gz QPIFBAHEGVMNIG-IAGOWNOFSA-N 2 0 366.937 3.204 20 0 FGADRP C[C@@H]([NH2+]C1CC[NH+](C2CCC2)CC1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000834545310 729812336 /nfs/dbraw/zinc/81/23/36/729812336.db2.gz YBSUPRZDDNIHDK-CRAIPNDOSA-N 2 0 351.535 3.381 20 0 FGADRP C[NH+](C)CCCCCCCNC(=O)N1CCCC[C@H]1[C@H]1CCC[NH2+]C1 ZINC000841741322 730269701 /nfs/dbraw/zinc/26/97/01/730269701.db2.gz NMQRSBVDXWLNRR-OALUTQOASA-N 2 0 352.567 3.062 20 0 FGADRP C[NH2+]CC1CC[NH+](Cc2nc3ccc(Br)cc3s2)CC1 ZINC000843049984 730574230 /nfs/dbraw/zinc/57/42/30/730574230.db2.gz XHEVURHPFUDLIS-UHFFFAOYSA-N 2 0 354.317 3.490 20 0 FGADRP C[C@H]([NH2+]CCCCCC[NH3+])c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000843343487 730609074 /nfs/dbraw/zinc/60/90/74/730609074.db2.gz VFMUTYDTNAHPRV-KRWDZBQOSA-N 2 0 367.559 3.031 20 0 FGADRP C[C@@H](NC(=O)C[N@@H+]1CCC2(C1)CC[NH2+]CC2)c1ccc(Cl)c(Cl)c1 ZINC000843363853 730610986 /nfs/dbraw/zinc/61/09/86/730610986.db2.gz FPNYKXXYNOZDQT-CYBMUJFWSA-N 2 0 370.324 3.246 20 0 FGADRP C[N@@H+]1CCC[C@@H]2C[NH+](CCCCCCNC(=O)OC(C)(C)C)CC[C@@H]21 ZINC000844304174 730700521 /nfs/dbraw/zinc/70/05/21/730700521.db2.gz MRBSSCOKGXWYOT-MSOLQXFVSA-N 2 0 353.551 3.488 20 0 FGADRP CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]([NH2+]C2CC[NH+](C3CCC3)CC2)C1 ZINC000848526456 731175213 /nfs/dbraw/zinc/17/52/13/731175213.db2.gz XTLVXGVUFNAWSO-SJORKVTESA-N 2 0 351.535 3.429 20 0 FGADRP Cc1nn(-c2ccc(F)cc2)c(Cl)c1C[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000848561931 731182394 /nfs/dbraw/zinc/18/23/94/731182394.db2.gz DUYOMPKRZQTQHC-AKAXFMLLSA-N 2 0 350.869 3.403 20 0 FGADRP [NH2+]=C(NCc1cccc(C(F)(F)F)c1)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000849105539 731229891 /nfs/dbraw/zinc/22/98/91/731229891.db2.gz STUXDUKRCNTFTB-INIZCTEOSA-N 2 0 354.420 3.336 20 0 FGADRP CO[C@@H]1CC[C@H]([NH+]2CCCC3(CCC[N@@H+]([C@H]4CC[C@@H](OC)C4)C3)C2)C1 ZINC000852057322 731539532 /nfs/dbraw/zinc/53/95/32/731539532.db2.gz KZSGVPMTURJZGK-PPSGHYAZSA-N 2 0 350.547 3.299 20 0 FGADRP C[N@@H+]1CC[C@]2(C1)CCC[NH+](CCCCCCNC(=O)OC(C)(C)C)C2 ZINC000852107030 731544044 /nfs/dbraw/zinc/54/40/44/731544044.db2.gz HSCIPNVIFQTXFU-FQEVSTJZSA-N 2 0 353.551 3.489 20 0 FGADRP CC(C)(C)OC(=O)N1CCC[C@@H]([NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)C1 ZINC000853084555 731662046 /nfs/dbraw/zinc/66/20/46/731662046.db2.gz QWXWFSAGZUIWDP-ZWKOTPCHSA-N 2 0 351.535 3.098 20 0 FGADRP C[C@H]([NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000858119586 732182608 /nfs/dbraw/zinc/18/26/08/732182608.db2.gz PISIPXVCVHODFH-YESZJQIVSA-N 2 0 353.551 3.484 20 0 FGADRP C[NH+](CC[Si](C)(C)CC[N@@H+](C)C[C@@H]1CCCOC1)C[C@@H]1CCCOC1 ZINC000859133436 732281542 /nfs/dbraw/zinc/28/15/42/732281542.db2.gz HATPYQKVTZJHJY-PMACEKPBSA-N 2 0 370.654 3.412 20 0 FGADRP CC[N@@H+]1CCC[C@H](C[NH2+]C[C@@H](CC(F)(F)F)NC(=O)OC(C)(C)C)C1 ZINC000865438041 733200788 /nfs/dbraw/zinc/20/07/88/733200788.db2.gz XWNVUKHBXGBUGK-ZIAGYGMSSA-N 2 0 367.456 3.154 20 0 FGADRP CC(C)(C)OC(=O)N[C@H](C[NH2+]C[C@@H]1CCN1C1CCCC1)CC(F)F ZINC000865643790 733244179 /nfs/dbraw/zinc/24/41/79/733244179.db2.gz RTBRSUULLSMDIM-ZFWWWQNUSA-N 2 0 361.477 3.141 20 0 FGADRP CC(C)[NH+]1CCC(CC[NH2+][C@@H](C)c2cccc(NS(C)(=O)=O)c2)CC1 ZINC000866467985 733353954 /nfs/dbraw/zinc/35/39/54/733353954.db2.gz WPCDDXPWUVHFTA-INIZCTEOSA-N 2 0 367.559 3.219 20 0 FGADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@H](c2cccc(Br)c2)[C@H]2CCOC2)C1 ZINC000872083369 735586241 /nfs/dbraw/zinc/58/62/41/735586241.db2.gz LJNNSXDPFOFYON-OXXUSNJHSA-N 2 0 367.331 3.457 20 0 FGADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@@H](c2cccc(Br)c2)[C@@H]2CCOC2)C1 ZINC000872083371 735586434 /nfs/dbraw/zinc/58/64/34/735586434.db2.gz LJNNSXDPFOFYON-WCZJQEMASA-N 2 0 367.331 3.457 20 0 FGADRP CCOC(=O)c1ncc(C[N@@H+]2CCC[C@H](C[C@H]([NH3+])C3CCCC3)C2)s1 ZINC000872156358 735596966 /nfs/dbraw/zinc/59/69/66/735596966.db2.gz ILZFMDARAHGPPG-PBHICJAKSA-N 2 0 365.543 3.439 20 0 FGADRP C[C@H](C(=O)Nc1ccccc1Br)[N@H+](C)CCCCCC[NH3+] ZINC000872155610 735597148 /nfs/dbraw/zinc/59/71/48/735597148.db2.gz WGXDRSBNYZKJAQ-CYBMUJFWSA-N 2 0 356.308 3.227 20 0 FGADRP [NH3+][C@H]1C[C@H](C[NH2+][C@@H](c2cccc(Br)c2)C2CCOCC2)C1 ZINC000873255866 735743848 /nfs/dbraw/zinc/74/38/48/735743848.db2.gz JGEOTXCUPHXECE-CSMYWGQOSA-N 2 0 353.304 3.244 20 0 FGADRP Cc1ccc(OC(F)F)c([C@@H](C)[NH2+]C[C@H]2CC3(CO2)CC[NH2+]CC3)c1 ZINC000873288715 735746494 /nfs/dbraw/zinc/74/64/94/735746494.db2.gz AUEXBAMWBWLUSI-HUUCEWRRSA-N 2 0 354.441 3.406 20 0 FGADRP COc1cc(OC)c([C@H](C)[NH2+]C[C@H]2CC3(CO2)CC[NH2+]CC3)cc1Cl ZINC000873289616 735746551 /nfs/dbraw/zinc/74/65/51/735746551.db2.gz JURYDURWCMBMFJ-UONOGXRCSA-N 2 0 368.905 3.167 20 0 FGADRP Brc1cccc2c1CC[C@@H]2[NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873292214 735747201 /nfs/dbraw/zinc/74/72/01/735747201.db2.gz PNAISQMLTCIGGY-GUYCJALGSA-N 2 0 365.315 3.185 20 0 FGADRP Cc1nc(C2CC[NH2+]CC2)sc1C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000876768339 736141850 /nfs/dbraw/zinc/14/18/50/736141850.db2.gz HVCMUGZXBIGMCI-OAHLLOKOSA-N 2 0 366.575 3.015 20 0 FGADRP CC(C)[NH+]1CCC(N2CC[NH+](C[C@H]3CC(C)(C)OC3(C)C)CC2)CC1 ZINC000878274507 736798068 /nfs/dbraw/zinc/79/80/68/736798068.db2.gz PLBPOEAEKFATLR-GOSISDBHSA-N 2 0 351.579 3.071 20 0 FGADRP CC[NH+]1CCN(CC(C)(C)[NH2+]C[C@H](O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000878689164 736907805 /nfs/dbraw/zinc/90/78/05/736907805.db2.gz BVBNKLFHBBJSKQ-KRWDZBQOSA-N 2 0 374.356 3.033 20 0 FGADRP C[C@H]([NH2+]C[C@@H](O)C(F)(F)C(F)(F)F)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000883361322 737558331 /nfs/dbraw/zinc/55/83/31/737558331.db2.gz ZQBXVYRYPBEVQE-NWANDNLSSA-N 2 0 366.374 3.045 20 0 FGADRP C[C@H]([NH2+]C[C@H](O)C(F)(F)C(F)(F)F)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000883361323 737558672 /nfs/dbraw/zinc/55/86/72/737558672.db2.gz ZQBXVYRYPBEVQE-QEJZJMRPSA-N 2 0 366.374 3.045 20 0 FGADRP [NH3+][C@@H]1CCO[C@H](C2CC[NH+](CCc3ccccc3Br)CC2)C1 ZINC000883433115 737566137 /nfs/dbraw/zinc/56/61/37/737566137.db2.gz IOVWKIUPOIVHPP-AEFFLSMTSA-N 2 0 367.331 3.210 20 0 FGADRP [NH3+][C@H](C[C@H]1CCC[N@H+](C[C@@H]2CCC3(CCOCC3)O2)C1)C1CCCC1 ZINC000883441180 737566832 /nfs/dbraw/zinc/56/68/32/737566832.db2.gz JHNQHIHREZTVKB-YZGWKJHDSA-N 2 0 350.547 3.334 20 0 FGADRP C[NH+](C)[C@H](CNC(=O)[C@@H](N)c1ccccc1C(F)(F)F)c1cccs1 ZINC000884177701 737640997 /nfs/dbraw/zinc/64/09/97/737640997.db2.gz QOCMZSJKIIDKGR-HIFRSBDPSA-N 2 0 371.428 3.186 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=S)NC[C@H]1CCC[N@@H+]1CC)c1ccccc1 ZINC000884346841 737657377 /nfs/dbraw/zinc/65/73/77/737657377.db2.gz CFLVOKZWVGGLKJ-MOPGFXCFSA-N 2 0 362.587 3.018 20 0 FGADRP CCC1([NH+]2CCC2)CC[NH+](C[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000886710806 739288790 /nfs/dbraw/zinc/28/87/90/739288790.db2.gz GNSNJSPCZRETDQ-KRWDZBQOSA-N 2 0 351.535 3.194 20 0 FGADRP CN(CCCCCC[NH3+])C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000891461675 739905073 /nfs/dbraw/zinc/90/50/73/739905073.db2.gz XKHYTYDQRDHDPI-UHFFFAOYSA-N 2 0 366.575 3.121 20 0 FGADRP COCCCC1(C[NH+]2CCN(CC[NH+]3[C@@H](C)CC[C@@H]3C)CC2)CCC1 ZINC000891845021 739942864 /nfs/dbraw/zinc/94/28/64/739942864.db2.gz LBVCZEVWYNQOTO-PMACEKPBSA-N 2 0 351.579 3.074 20 0 FGADRP CC[NH+](CC)C[C@H]1CCN(C(=O)NCCCCC[NH+]2CCCCC2)C1 ZINC000893104257 742110534 /nfs/dbraw/zinc/11/05/34/742110534.db2.gz UYUFGYDVALLQAK-LJQANCHMSA-N 2 0 352.567 3.016 20 0 FGADRP CC1CC[NH+](C2CCC([NH2+][C@@H]3CCC4(C[C@@H]3F)OCCO4)CC2)CC1 ZINC000893187657 742121542 /nfs/dbraw/zinc/12/15/42/742121542.db2.gz SKXRLBQKNJZYLI-WZOJCFFYSA-N 2 0 354.510 3.253 20 0 FGADRP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+]Cc1cc2ccnc(Cl)c2s1 ZINC000894260404 742259336 /nfs/dbraw/zinc/25/93/36/742259336.db2.gz MGYSXQOTGOQEAU-AWEZNQCLSA-N 2 0 353.919 3.276 20 0 FGADRP F[C@@H]1CC2(CC[C@H]1[NH2+]Cc1c(Cl)cccc1-n1ccnc1)OCCO2 ZINC000894659025 742315962 /nfs/dbraw/zinc/31/59/62/742315962.db2.gz LXRGLABWHVVECR-HZPDHXFCSA-N 2 0 365.836 3.249 20 0 FGADRP C[C@]1(Br)C[C@H]1C[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000895346554 742400447 /nfs/dbraw/zinc/40/04/47/742400447.db2.gz INVFNZSOFHJYQW-IRXDYDNUSA-N 2 0 352.320 3.057 20 0 FGADRP CC(C)C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)C1CCOCC1 ZINC000902880674 743783413 /nfs/dbraw/zinc/78/34/13/743783413.db2.gz LITWQPYBZOXFJM-HBMCJLEFSA-N 2 0 352.563 3.185 20 0 FGADRP CCOC(=O)c1sc(CC2CC[NH+](C[C@@H]3CC[C@H]([NH3+])C3)CC2)nc1C ZINC000903482710 743855921 /nfs/dbraw/zinc/85/59/21/743855921.db2.gz QBJBHJVBEBUXDK-CVEARBPZSA-N 2 0 365.543 3.010 20 0 FGADRP O[C@H](C[C@@H]1CCCCC[N@@H+]1C[C@H]1C[C@@]2(CC[NH2+]C2)CO1)c1cccs1 ZINC000903734474 743880192 /nfs/dbraw/zinc/88/01/92/743880192.db2.gz RLSMFQVUXIQGBG-JRBPQWBISA-N 2 0 364.555 3.185 20 0 FGADRP FC(F)(F)c1ccnc([C@H]2CC[N@H+](CCC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)n1 ZINC000903827848 743886687 /nfs/dbraw/zinc/88/66/87/743886687.db2.gz YRQASJYZJCTQKR-WIGRTHMWSA-N 2 0 354.420 3.205 20 0 FGADRP CCOc1c(OC)cc(C[NH+]2CCC(C(C)(C)C[NH3+])CC2)cc1OC ZINC000904445148 743955711 /nfs/dbraw/zinc/95/57/11/743955711.db2.gz WVMLRTSYRFKWAU-UHFFFAOYSA-N 2 0 350.503 3.299 20 0 FGADRP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CCC[NH+](CCC(C)(C)C)CC2)CC[N@@H+]1C ZINC000948388555 762328264 /nfs/dbraw/zinc/32/82/64/762328264.db2.gz IVSRLBSVNJQEBV-CEXWTWQISA-N 2 0 351.579 3.466 20 0 FGADRP CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]C/C=C/c1ccc(F)c(F)c1)C2 ZINC000922387728 758909541 /nfs/dbraw/zinc/90/95/41/758909541.db2.gz AKEFHBFQDJDJNI-WPNHUXKJSA-N 2 0 350.453 3.047 20 0 FGADRP CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1cccc(Br)c1)C2 ZINC000922390072 758910251 /nfs/dbraw/zinc/91/02/51/758910251.db2.gz XEKMQWTZGUCNLP-BDXSIMOUSA-N 2 0 367.331 3.018 20 0 FGADRP [NH3+]CC[C@@H]1CC[N@H+](Cc2ccnc(-c3ccc(Br)cc3)n2)C1 ZINC000923480861 759128185 /nfs/dbraw/zinc/12/81/85/759128185.db2.gz KUTBQNDKRIOHJL-CYBMUJFWSA-N 2 0 361.287 3.077 20 0 FGADRP C[C@H](C(=O)N(c1nccs1)C1CCCCC1)[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923501933 759133629 /nfs/dbraw/zinc/13/36/29/759133629.db2.gz XGUQEUOWDMVDER-BZUAXINKSA-N 2 0 364.559 3.114 20 0 FGADRP C([C@@H]1CCC2(CCOCC2)CO1)[NH+]1CCC([C@H]2CCC[NH2+]CC2)CC1 ZINC000923506157 759135144 /nfs/dbraw/zinc/13/51/44/759135144.db2.gz IIQWJOSUYWITQK-ICSRJNTNSA-N 2 0 350.547 3.064 20 0 FGADRP C[NH+]1CCC(C[NH2+][C@@H]2CCc3c2nccc3Cl)(N2CCCCC2)CC1 ZINC000925157100 759456779 /nfs/dbraw/zinc/45/67/79/759456779.db2.gz STZYCJSDRJRRPK-GOSISDBHSA-N 2 0 362.949 3.262 20 0 FGADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+]C[C@H]2C[NH2+]CCC2(F)F)CC1 ZINC000925776880 759534476 /nfs/dbraw/zinc/53/44/76/759534476.db2.gz NHWMIIQXYIIMNA-LMDPOFIKSA-N 2 0 351.485 3.264 20 0 FGADRP COCCC[C@@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1C)c1ccc(Br)cc1 ZINC000925788735 759539216 /nfs/dbraw/zinc/53/92/16/759539216.db2.gz BUNVVDAMXLBDNY-UKPHBRMFSA-N 2 0 355.320 3.362 20 0 FGADRP O=S1(=O)CC[C@@H]([NH2+]CCCCCC2CC[NH2+]CC2)c2cc(F)ccc21 ZINC000925806480 759546662 /nfs/dbraw/zinc/54/66/62/759546662.db2.gz DXCZHOYFGBLUFT-GOSISDBHSA-N 2 0 368.518 3.194 20 0 FGADRP C[C@H](c1ccc(Cl)cc1)[C@H](C)[NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925849438 759557250 /nfs/dbraw/zinc/55/72/50/759557250.db2.gz JFCCXDYREZVADW-ZQIUZPCESA-N 2 0 350.890 3.107 20 0 FGADRP O=C1O[C@H](C[NH2+][C@@H]2CCSc3ccc(Cl)cc32)CC12CC[NH2+]CC2 ZINC000925852970 759558033 /nfs/dbraw/zinc/55/80/33/759558033.db2.gz JAVAGFMSVNDNAU-DZGCQCFKSA-N 2 0 366.914 3.152 20 0 FGADRP O=C1O[C@@H](C[NH2+][C@H]2CCc3c2ccc(Cl)c3Cl)CC12CC[NH2+]CC2 ZINC000925856990 759560523 /nfs/dbraw/zinc/56/05/23/759560523.db2.gz YQXBLCUYXLWZHA-ABAIWWIYSA-N 2 0 369.292 3.256 20 0 FGADRP CC(C)[C@@H](CSc1ccccc1)[NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925860019 759562940 /nfs/dbraw/zinc/56/29/40/759562940.db2.gz YSJKFJQDSCVJFA-SJLPKXTDSA-N 2 0 362.539 3.078 20 0 FGADRP FC(F)(F)C1CC[NH+](C2CC(N[C@H]3CCC[N@@H+]4CCCC[C@@H]34)C2)CC1 ZINC000926332399 759718785 /nfs/dbraw/zinc/71/87/85/759718785.db2.gz XONOPNWTIMKCET-FOIPXRHGSA-N 2 0 359.480 3.398 20 0 FGADRP C[N@@H+]1CCC[C@H]2C[NH+](C[C@@H]3CC[C@H](NC(=O)OC(C)(C)C)C3)CC[C@H]21 ZINC000929848037 760469406 /nfs/dbraw/zinc/46/94/06/760469406.db2.gz OWHPNQSHPYIRBY-VSZNYVQBSA-N 2 0 351.535 3.096 20 0 FGADRP CCCC[N@H+](CC[C@@H]1CCS(=O)(=O)C1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000931034115 760760902 /nfs/dbraw/zinc/76/09/02/760760902.db2.gz ODEAVZATIQHJPJ-MRXNPFEDSA-N 2 0 358.592 3.223 20 0 FGADRP Cc1cc(C[NH+]2C[C@@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C(C)(C)C2)c(C)s1 ZINC000974587770 763032932 /nfs/dbraw/zinc/03/29/32/763032932.db2.gz MESJJZGTOCTPTE-ZTFGCOKTSA-N 2 0 363.571 3.032 20 0 FGADRP C[C@@H]([NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1)c1ccc(Cl)cc1 ZINC000983705695 763659393 /nfs/dbraw/zinc/65/93/93/763659393.db2.gz ZKGKZYHHUIWWQX-CQAXQDJESA-N 2 0 363.933 3.226 20 0 FGADRP CC[C@@H]1[C@@H](C(=O)N(C)C2CC([NH2+]Cc3ccccc3Cl)C2)CC[N@@H+]1C ZINC000998792235 765124041 /nfs/dbraw/zinc/12/40/41/765124041.db2.gz WGYIIVQHNCBPAS-BXNZUYAZSA-N 2 0 363.933 3.149 20 0 FGADRP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]([NH2+]Cc3ccc(Cl)s3)C2)CC[N@@H+]1C ZINC000999199557 765145895 /nfs/dbraw/zinc/14/58/95/765145895.db2.gz IJOIIDMJQJFLRC-VNQPRFMTSA-N 2 0 369.962 3.212 20 0 FGADRP C[C@@H]1[C@H](C(=O)N2CC[C@H]([NH2+]Cc3cccc(Cl)c3Cl)C2)CC[N@@H+]1C ZINC001018868018 765846896 /nfs/dbraw/zinc/84/68/96/765846896.db2.gz ZACWYQUCENTAEF-VHDGCEQUSA-N 2 0 370.324 3.024 20 0 FGADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc(Cl)cc3C)C2)CC[N@@H+]1C ZINC001022107508 765973979 /nfs/dbraw/zinc/97/39/79/765973979.db2.gz XWDIALLGAZCRBD-ZSYWTGECSA-N 2 0 363.933 3.116 20 0 FGADRP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](C[NH2+]Cc3sccc3Cl)C2)CC[N@@H+]1C ZINC001026854431 766082636 /nfs/dbraw/zinc/08/26/36/766082636.db2.gz BHSUJYNISBOFTH-OFQRWUPVSA-N 2 0 369.962 3.070 20 0 FGADRP Cc1cc(C[NH2+][C@H](C)C2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)cs1 ZINC001029100580 766142107 /nfs/dbraw/zinc/14/21/07/766142107.db2.gz CMMOIAXAONRSBD-GPMSIDNRSA-N 2 0 363.571 3.113 20 0 FGADRP Cc1cccc(Cl)c1C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001034940080 766250483 /nfs/dbraw/zinc/25/04/83/766250483.db2.gz WMSVVGSPXOBZFT-BRWVUGGUSA-N 2 0 363.933 3.069 20 0 FGADRP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH2+][C@@H]4CCO[C@@]5(CCOC5)C4)[C@H]3C2)cc1 ZINC000359894291 210196207 /nfs/dbraw/zinc/19/62/07/210196207.db2.gz FWDOPMPJIZPLKO-SPHOGXRMSA-N 2 0 370.537 3.215 20 0 FGADRP Brc1ccc2c(c1)C=C(C[NH2+]C[C@@H]1CC[N@@H+](C3CC3)C1)CO2 ZINC000102421869 257350881 /nfs/dbraw/zinc/35/08/81/257350881.db2.gz SFESDXLGVJJLJE-ZDUSSCGKSA-N 2 0 363.299 3.299 20 0 FGADRP C[C@@H]([NH2+]CC1CCN(c2cc[nH+]cc2)CC1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000293514848 257379851 /nfs/dbraw/zinc/37/98/51/257379851.db2.gz CKXLIGVAUSXFMC-MRXNPFEDSA-N 2 0 374.529 3.143 20 0 FGADRP C[N@@H+]1CC[C@H](NC(=O)NC[C@H]2CC[NH+]2C2CCCCC2)[C@H]1c1ccccc1 ZINC000527829896 503962616 /nfs/dbraw/zinc/96/26/16/503962616.db2.gz CCOUEXUAHVOLJL-QHAWAJNXSA-N 2 0 370.541 3.138 20 0 FGADRP C[NH+](C)Cc1cccc(CNC(=O)c2ccccc2CC2CC[NH2+]CC2)c1 ZINC000567968166 505585307 /nfs/dbraw/zinc/58/53/07/505585307.db2.gz FAIMJCFSEINMPP-UHFFFAOYSA-N 2 0 365.521 3.220 20 0 FGADRP CC[NH2+]Cc1ccccc1NC(=O)[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000567973421 505586803 /nfs/dbraw/zinc/58/68/03/505586803.db2.gz CGNUVCYZWKKTKR-IBGZPJMESA-N 2 0 352.482 3.042 20 0 FGADRP CCCC[N@H+](C)C[C@@H](C)NC(=O)N(C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000567977262 505587822 /nfs/dbraw/zinc/58/78/22/505587822.db2.gz LEQAPFDGLCLHIB-CTNGQTDRSA-N 2 0 374.573 3.270 20 0 FGADRP O=C([C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)N1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000567982802 505590133 /nfs/dbraw/zinc/59/01/33/505590133.db2.gz RRNCUDJBCDSJLO-SFHLNBCPSA-N 2 0 373.516 3.028 20 0 FGADRP CCCCNC(=O)CC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000567995588 505592880 /nfs/dbraw/zinc/59/28/80/505592880.db2.gz PGCYCFLATFVUCO-KRWDZBQOSA-N 2 0 351.560 3.117 20 0 FGADRP CC(C)OC[C@@H](C)[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000570870890 505599373 /nfs/dbraw/zinc/59/93/73/505599373.db2.gz PXLXDPQQLRUHDD-TZIWHRDSSA-N 2 0 360.542 3.318 20 0 FGADRP c1ccc(C[N@H+]2C[C@@H](C[NH2+]C[C@H]3CCSC3)C3(C2)CCOCC3)cc1 ZINC000573746176 505609997 /nfs/dbraw/zinc/60/99/97/505609997.db2.gz PSJKFYPVVHFULD-WOJBJXKFSA-N 2 0 360.567 3.258 20 0 FGADRP COc1cccc(C[C@H]2CCC[N@@H+]2CCCN2CC[NH+](C(C)C)CC2)c1 ZINC000579735501 505610633 /nfs/dbraw/zinc/61/06/33/505610633.db2.gz BOTCFVMQEVPVPY-OAQYLSRUSA-N 2 0 359.558 3.118 20 0 FGADRP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](CCCOc2ccc(Cl)cc2)CC1 ZINC000573788270 505621154 /nfs/dbraw/zinc/62/11/54/505621154.db2.gz ZXERRPXJJVCDRU-MOPGFXCFSA-N 2 0 352.906 3.327 20 0 FGADRP CN(c1ccccc1)c1ccc(C[NH+]2CCC(OCCC[NH3+])CC2)cn1 ZINC000579837871 505630392 /nfs/dbraw/zinc/63/03/92/505630392.db2.gz WDCAOCUBEJEXPR-UHFFFAOYSA-N 2 0 354.498 3.179 20 0 FGADRP CC(C)C[C@H](CNC(=O)[C@@H]1CC12CC[NH2+]CC2)[NH2+][C@@H](C)c1ccccc1 ZINC000573917203 505650921 /nfs/dbraw/zinc/65/09/21/505650921.db2.gz OTOVXNKOASXYCT-SXLOBPIMSA-N 2 0 357.542 3.258 20 0 FGADRP C[C@H]([NH3+])C1CC[NH+](Cc2cc3c(cc2Br)OCCCO3)CC1 ZINC000573921365 505651916 /nfs/dbraw/zinc/65/19/16/505651916.db2.gz UYQMMGGHQRIFOQ-LBPRGKRZSA-N 2 0 369.303 3.170 20 0 FGADRP C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@@H]3CCc4cncn4C3)cc2)C1 ZINC000577066442 505656606 /nfs/dbraw/zinc/65/66/06/505656606.db2.gz SKFAYYDXLXMCHU-FUHWJXTLSA-N 2 0 352.482 3.316 20 0 FGADRP COc1ccc(OCc2ccccn2)c(C[NH+]2CCC(CC[NH3+])CC2)c1 ZINC000571168979 505671193 /nfs/dbraw/zinc/67/11/93/505671193.db2.gz DLSYIQPQOOBWSV-UHFFFAOYSA-N 2 0 355.482 3.230 20 0 FGADRP O=C(C[N@@H+]1CCC[C@@H]2CCC[C@@H]21)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000075768627 493776561 /nfs/dbraw/zinc/77/65/61/493776561.db2.gz UXIOPJMGQJDCCY-SFTDATJTSA-N 2 0 355.526 3.163 20 0 FGADRP CC1(C)CC[N@H+](CC(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)C1 ZINC000076013229 493809741 /nfs/dbraw/zinc/80/97/41/493809741.db2.gz BQWVTQYTJMIBPJ-UHFFFAOYSA-N 2 0 363.933 3.153 20 0 FGADRP C[C@@H]1CC[N@H+](CCOc2ccc(NC(=O)C[C@@H]3CCCC[C@H]3[NH3+])cc2)C1 ZINC000568386999 505682631 /nfs/dbraw/zinc/68/26/31/505682631.db2.gz JTMLYGGFTLZOPF-FUHIMQAGSA-N 2 0 359.514 3.253 20 0 FGADRP CCC[NH+](CCC)CCCC(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000068549585 493839984 /nfs/dbraw/zinc/83/99/84/493839984.db2.gz WQKYUZOIZVAFDQ-UHFFFAOYSA-N 2 0 360.546 3.064 20 0 FGADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000081363205 493879580 /nfs/dbraw/zinc/87/95/80/493879580.db2.gz CMJCKYBNVOAYPS-LEWJYISDSA-N 2 0 357.542 3.089 20 0 FGADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000081363206 493879675 /nfs/dbraw/zinc/87/96/75/493879675.db2.gz CMJCKYBNVOAYPS-NHCUHLMSSA-N 2 0 357.542 3.089 20 0 FGADRP O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)c1cccc(C[NH+]2CCCC2)c1 ZINC000049976166 493888694 /nfs/dbraw/zinc/88/86/94/493888694.db2.gz CTZRTPGEFWXUEK-QFIPXVFZSA-N 2 0 363.505 3.287 20 0 FGADRP C[NH+](C)Cc1ccccc1CNC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000050025590 493892369 /nfs/dbraw/zinc/89/23/69/493892369.db2.gz QEPKWNJDPSFMRW-JOCHJYFZSA-N 2 0 365.521 3.277 20 0 FGADRP CC[NH+](CC)CCOc1ccc(C(=O)N2CCC([NH+]3CCCC3)CC2)cc1 ZINC000058907031 493892437 /nfs/dbraw/zinc/89/24/37/493892437.db2.gz FLMVUGWILWGLFA-UHFFFAOYSA-N 2 0 373.541 3.108 20 0 FGADRP Brc1ccccc1C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000060242046 493919886 /nfs/dbraw/zinc/91/98/86/493919886.db2.gz HRQBQMVXWDEWPR-UHFFFAOYSA-N 2 0 367.331 3.383 20 0 FGADRP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000051158530 493952005 /nfs/dbraw/zinc/95/20/05/493952005.db2.gz HDSVXERECRISFH-HDICACEKSA-N 2 0 357.542 3.054 20 0 FGADRP CC(C)[N@@H+]1CC[C@@H](CNC(=O)NCC(C)(C)[NH2+][C@@H](C)c2ccccc2)C1 ZINC000069298951 493952208 /nfs/dbraw/zinc/95/22/08/493952208.db2.gz GEIRWNHWLVLMRB-ROUUACIJSA-N 2 0 360.546 3.145 20 0 FGADRP CCCC[N@H+](C)CC1CC[NH+](CCC(=O)Nc2cc(N)ccc2F)CC1 ZINC000083172581 494002614 /nfs/dbraw/zinc/00/26/14/494002614.db2.gz MQBXZNCMZMDPFR-UHFFFAOYSA-N 2 0 364.509 3.180 20 0 FGADRP CC[NH+]1CCC(NC(=O)NC[C@@H](c2ccccc2)[NH+]2CCC(C)CC2)CC1 ZINC000052500213 494032873 /nfs/dbraw/zinc/03/28/73/494032873.db2.gz YXZIXJQBHBLEHQ-NRFANRHFSA-N 2 0 372.557 3.243 20 0 FGADRP C[NH+](C)C1(CNC(=O)NC2CC[NH+](CC3CCCC3)CC2)CCCCC1 ZINC000063408027 494052610 /nfs/dbraw/zinc/05/26/10/494052610.db2.gz KNMRJMLSIPHOGZ-UHFFFAOYSA-N 2 0 364.578 3.205 20 0 FGADRP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCCCC[C@@H]2c2ccc(OC)cc2)CC1 ZINC000052711792 494056125 /nfs/dbraw/zinc/05/61/25/494056125.db2.gz ODGIAODOEVMBLV-OAQYLSRUSA-N 2 0 373.541 3.213 20 0 FGADRP C[C@@H](CNC(=O)C1CC[NH+](Cc2ccccc2)CC1)[N@@H+]1CCC[C@H](C)C1 ZINC000063749472 494082956 /nfs/dbraw/zinc/08/29/56/494082956.db2.gz HXZWZRULYHDNTP-OALUTQOASA-N 2 0 357.542 3.135 20 0 FGADRP CC(C)C1CCC([NH+]2CCN(C(=O)C3CC[NH+](C(C)C)CC3)CC2)CC1 ZINC000084620975 494087431 /nfs/dbraw/zinc/08/74/31/494087431.db2.gz SIQHJWLSPDHUGH-UHFFFAOYSA-N 2 0 363.590 3.466 20 0 FGADRP C[C@H]1C[C@H]([NH3+])CCN1Cc1cnn(Cc2ccc(C(F)(F)F)cc2)c1 ZINC000571295148 505701145 /nfs/dbraw/zinc/70/11/45/505701145.db2.gz PTXXUFOJMHYANS-SUMWQHHRSA-N 2 0 352.404 3.262 20 0 FGADRP C[NH+](C)[C@@H](CNC(=O)N1CC[NH+](CC2CCCCC2)CC1)c1ccccc1 ZINC000065442570 494197258 /nfs/dbraw/zinc/19/72/58/494197258.db2.gz GMROCMCSBWQYBZ-NRFANRHFSA-N 2 0 372.557 3.197 20 0 FGADRP C[NH+](C)Cc1cccc(CNC(=O)N2CC[NH+](CC3CCCCC3)CC2)c1 ZINC000065456382 494199848 /nfs/dbraw/zinc/19/98/48/494199848.db2.gz FNIZQFPHAHRRQA-UHFFFAOYSA-N 2 0 372.557 3.156 20 0 FGADRP C[C@H](CNC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)[NH+]1CCC(C)CC1 ZINC000065477680 494202575 /nfs/dbraw/zinc/20/25/75/494202575.db2.gz AAPOUNJMCQPCEK-LJQANCHMSA-N 2 0 372.557 3.202 20 0 FGADRP O=C(NCCC[NH2+]C1CCCCC1)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000043037949 494259292 /nfs/dbraw/zinc/25/92/92/494259292.db2.gz LUCRYYNIXKXPMU-SFHVURJKSA-N 2 0 362.518 3.028 20 0 FGADRP CC1CC[NH+](CCCCNC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000043239469 494279100 /nfs/dbraw/zinc/27/91/00/494279100.db2.gz QEAXDUZDOYZYHZ-NRFANRHFSA-N 2 0 372.557 3.072 20 0 FGADRP CCC[NH+]1CCC(N(C)C(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)CC1 ZINC000066173622 494282918 /nfs/dbraw/zinc/28/29/18/494282918.db2.gz HEFHQSNKRPALHP-OAQYLSRUSA-N 2 0 372.557 3.339 20 0 FGADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@@H](c1cccc(Cl)c1)N1CCOCC1 ZINC000089549310 494324200 /nfs/dbraw/zinc/32/42/00/494324200.db2.gz QJVKHPSZVVVPBG-SMOSDQRPSA-N 2 0 365.949 3.032 20 0 FGADRP CSC1(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CC[NH+](C)CC1 ZINC000580250753 505713516 /nfs/dbraw/zinc/71/35/16/505713516.db2.gz NOAHFRFHIPMUPF-ICSRJNTNSA-N 3 0 361.599 3.457 20 0 FGADRP C[C@H](CNC(=O)Nc1cccc(C[NH+](C)C)c1)[N@@H+]1CCc2ccccc2C1 ZINC000044276722 494346530 /nfs/dbraw/zinc/34/65/30/494346530.db2.gz ZDQCHWFJHJWHCO-QGZVFWFLSA-N 2 0 366.509 3.317 20 0 FGADRP C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)C1 ZINC000073428383 494369514 /nfs/dbraw/zinc/36/95/14/494369514.db2.gz NOUMBLVUZZGDNE-IBGZPJMESA-N 2 0 372.557 3.212 20 0 FGADRP Cc1c[nH+]ccc1N1CCC(C(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)CC1 ZINC000073474642 494375517 /nfs/dbraw/zinc/37/55/17/494375517.db2.gz OVGYOWYLQGBHOR-HXUWFJFHSA-N 2 0 370.541 3.083 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)CC(C)C ZINC000073596682 494396087 /nfs/dbraw/zinc/39/60/87/494396087.db2.gz UWQRYGPRUVYNAE-XVLXNVKGSA-N 2 0 352.567 3.057 20 0 FGADRP CC[NH+]1CCC(CCNC(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000073676684 494411788 /nfs/dbraw/zinc/41/17/88/494411788.db2.gz GVDQZSURFPMACX-SFHVURJKSA-N 2 0 352.567 3.062 20 0 FGADRP C[C@@H](CCc1ccccc1F)[NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000090038626 494431643 /nfs/dbraw/zinc/43/16/43/494431643.db2.gz QCDFIOZCPKSLEF-KRWDZBQOSA-N 2 0 371.500 3.228 20 0 FGADRP Cc1cccc([C@@H](C)[NH2+]Cc2ccc(C(=O)NCC[NH+](C)C)cc2)c1C ZINC000090038868 494432616 /nfs/dbraw/zinc/43/26/16/494432616.db2.gz KUHPDPCKDBUQGY-GOSISDBHSA-N 2 0 353.510 3.446 20 0 FGADRP C[C@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)c1cc(F)ccc1F ZINC000090038738 494432658 /nfs/dbraw/zinc/43/26/58/494432658.db2.gz QGADTCWKMQWPLN-AWEZNQCLSA-N 2 0 361.436 3.107 20 0 FGADRP Cc1cc(F)ccc1-c1ccc(C[N@H+](C)CCCN2CC[NH+](C)CC2)o1 ZINC000571392231 505722258 /nfs/dbraw/zinc/72/22/58/505722258.db2.gz PODHHKPRWQYMSA-UHFFFAOYSA-N 2 0 359.489 3.463 20 0 FGADRP C[C@H]1CCC[N@H+](CCCCNC(=O)NCCCC[NH+]2CCCC[C@@H]2C)C1 ZINC000079393013 494446005 /nfs/dbraw/zinc/44/60/05/494446005.db2.gz HJXGSGSMTZTNPJ-PMACEKPBSA-N 2 0 366.594 3.452 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1CCNC(=O)NC[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000067005501 494454191 /nfs/dbraw/zinc/45/41/91/494454191.db2.gz KGFIFYNUYCHIFG-CTNGQTDRSA-N 2 0 372.557 3.072 20 0 FGADRP CC[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1ccc2c(c1)OCCO2 ZINC000090524576 494478547 /nfs/dbraw/zinc/47/85/47/494478547.db2.gz LRNDTDIBKYLQBI-AQNXPRMDSA-N 2 0 374.525 3.266 20 0 FGADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)c2ccc(NS(C)(=O)=O)cc2)C1 ZINC000090586820 494484174 /nfs/dbraw/zinc/48/41/74/494484174.db2.gz KHBHYXKJAJPMFV-DLBZAZTESA-N 2 0 367.559 3.077 20 0 FGADRP CC(C)[N@H+](C)CC1CCN(C(=O)NCCCC[NH+]2CCC[C@H](C)C2)CC1 ZINC000079613191 494493359 /nfs/dbraw/zinc/49/33/59/494493359.db2.gz MRMWWKHHEYPZHL-IBGZPJMESA-N 2 0 366.594 3.260 20 0 FGADRP CC(C)N(Cc1ccccc1)C(=O)[C@@H](C)[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000056523341 494519880 /nfs/dbraw/zinc/51/98/80/494519880.db2.gz UADFQCNNUDLLSE-LJQANCHMSA-N 2 0 359.558 3.476 20 0 FGADRP C[C@@H]1C[NH+](CCCC[NH2+]Cc2cnc(-c3ccccc3)nc2)C[C@@H](C)O1 ZINC000067452676 494544386 /nfs/dbraw/zinc/54/43/86/494544386.db2.gz LJGAIRITPPGFHJ-QZTJIDSGSA-N 2 0 354.498 3.123 20 0 FGADRP CCOc1ccc([C@H](C)[NH2+]C[C@H](C)CN2CC[NH+](C)CC2)cc1OCC ZINC000121072201 494581176 /nfs/dbraw/zinc/58/11/76/494581176.db2.gz QAOZIZXGPCZPMT-ROUUACIJSA-N 2 0 363.546 3.018 20 0 FGADRP C[C@@H](C[NH2+][C@@H]1CCc2c1ccc(Cl)c2Cl)CN1CC[NH+](C)CC1 ZINC000121083615 494587325 /nfs/dbraw/zinc/58/73/25/494587325.db2.gz FVHNMYDESPOZNX-SUMWQHHRSA-N 2 0 356.341 3.454 20 0 FGADRP C[N@H+](CCOc1cccc(C[NH2+][C@@H]2CCCSC2)c1)C1CCOCC1 ZINC000131374160 494598032 /nfs/dbraw/zinc/59/80/32/494598032.db2.gz GZIQITHGDQSYGQ-GOSISDBHSA-N 2 0 364.555 3.161 20 0 FGADRP C[C@H](O)C[NH+]1CCC(C[N@H+](C)Cc2cnc(-c3ccsc3)s2)CC1 ZINC000121116874 494603852 /nfs/dbraw/zinc/60/38/52/494603852.db2.gz XFQGMHGSTUCUBK-AWEZNQCLSA-N 2 0 365.568 3.396 20 0 FGADRP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000107833829 494608488 /nfs/dbraw/zinc/60/84/88/494608488.db2.gz NJWDBKBTVHVSFV-PMACEKPBSA-N 2 0 364.578 3.301 20 0 FGADRP C[C@H]1C[C@@H](NC(=O)N(C)C[C@@H]2CCC[NH+](C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000080166308 494621489 /nfs/dbraw/zinc/62/14/89/494621489.db2.gz UKGPJZURCCXTCV-TYPHKJRUSA-N 2 0 372.557 3.023 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)N(C)C[C@@H]1CCC[N@H+](C)C1)c1ccccc1 ZINC000115785779 494622235 /nfs/dbraw/zinc/62/22/35/494622235.db2.gz QKZQWNJTUUNPFB-QUCCMNQESA-N 2 0 360.546 3.053 20 0 FGADRP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)NC[C@@H](C)C[NH+]1CCCCC1 ZINC000057041769 494628154 /nfs/dbraw/zinc/62/81/54/494628154.db2.gz BFHHBNQCQORUDK-LJQANCHMSA-N 2 0 374.573 3.448 20 0 FGADRP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)c1ccc(Br)c(F)c1 ZINC000131502106 494640223 /nfs/dbraw/zinc/64/02/23/494640223.db2.gz ARFBRROFUNSGMC-UKRRQHHQSA-N 2 0 373.310 3.476 20 0 FGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H](C)c2ccc(SC)c(F)c2)CC1 ZINC000121204866 494645609 /nfs/dbraw/zinc/64/56/09/494645609.db2.gz DYDVXBNYMBYPTQ-HZPDHXFCSA-N 2 0 353.551 3.472 20 0 FGADRP CC[C@@H]([NH2+]C[C@H](C)CN1CC[NH+](CC)CC1)c1ccc(OC)c(OC)c1 ZINC000121218172 494653006 /nfs/dbraw/zinc/65/30/06/494653006.db2.gz RYGFOZDCNKMTQV-PKOBYXMFSA-N 2 0 363.546 3.018 20 0 FGADRP C[C@H](C(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1)[NH+]1CCCCCC1 ZINC000092516831 494654234 /nfs/dbraw/zinc/65/42/34/494654234.db2.gz MXUJZMWJFBLDIJ-LJQANCHMSA-N 2 0 372.557 3.411 20 0 FGADRP c1cnn(Cc2cccc(C[NH2+][C@H]3C[C@]4(CC[NH2+]C4)Oc4ccccc43)c2)c1 ZINC000568617130 505737556 /nfs/dbraw/zinc/73/75/56/505737556.db2.gz JOJHQRSLMFISNX-GMAHTHKFSA-N 2 0 374.488 3.277 20 0 FGADRP CCC[N@@H+]1CC[C@@H](CNC(=O)N(C)[C@@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000080665376 494761926 /nfs/dbraw/zinc/76/19/26/494761926.db2.gz KIMCGVFZCKEQGP-LEWJYISDSA-N 2 0 372.557 3.024 20 0 FGADRP O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH+]1Cc1ccccc1 ZINC000108711153 494767988 /nfs/dbraw/zinc/76/79/88/494767988.db2.gz CKIUYNFUQPOWFU-VXKWHMMOSA-N 2 0 363.505 3.042 20 0 FGADRP CCC[NH+]1CCC(NC(=O)N(C)[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000080717903 494776622 /nfs/dbraw/zinc/77/66/22/494776622.db2.gz VCMJDXYYZZWTLB-NRFANRHFSA-N 2 0 372.557 3.167 20 0 FGADRP C[NH+](C)CC[C@H](NC(=O)NC1CC[NH+](Cc2ccccc2)CC1)C(C)(C)C ZINC000116410412 494777607 /nfs/dbraw/zinc/77/76/07/494777607.db2.gz KHVRJCMOAVZGDJ-FQEVSTJZSA-N 2 0 374.573 3.317 20 0 FGADRP CCC[NH+]1CCN(c2ccccc2C[N@@H+]2CCC[C@H](c3ncc[nH]3)C2)CC1 ZINC000092072475 494777979 /nfs/dbraw/zinc/77/79/79/494777979.db2.gz QCUQSVBPSZSKPZ-FQEVSTJZSA-N 2 0 367.541 3.321 20 0 FGADRP Cc1nccn1-c1ccc([C@@H](C)[NH2+]CCc2nnc3n2CCCCC3)cc1 ZINC000126635618 494806550 /nfs/dbraw/zinc/80/65/50/494806550.db2.gz HSYPYXWGLMPLNW-MRXNPFEDSA-N 2 0 364.497 3.392 20 0 FGADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCC[NH+]2Cc2ccccc2)C1 ZINC000121572686 494807208 /nfs/dbraw/zinc/80/72/08/494807208.db2.gz PXSGGUYLASFOMK-RTWAWAEBSA-N 2 0 357.542 3.278 20 0 FGADRP CN(CC[NH+](C)C)C(=O)Nc1ccc(SCC[NH+]2CCCCC2)cc1 ZINC000574318903 505746363 /nfs/dbraw/zinc/74/63/63/505746363.db2.gz HFVHXDFVFFVIJZ-UHFFFAOYSA-N 2 0 364.559 3.290 20 0 FGADRP CC(C)[C@@H](C[NH2+][C@@H](C)c1ccc(OC(F)F)cc1)N1CC[NH+](C)CC1 ZINC000132354505 494861706 /nfs/dbraw/zinc/86/17/06/494861706.db2.gz XDAWAIDDYWYFBL-MAUKXSAKSA-N 2 0 355.473 3.211 20 0 FGADRP COc1ccc([C@@H]2C[C@@H](C)C[N@@H+]2CC(=O)NC2CC[NH+](C(C)C)CC2)cc1 ZINC000121862785 494877452 /nfs/dbraw/zinc/87/74/52/494877452.db2.gz COOWSOXVQGEHNZ-UTKZUKDTSA-N 2 0 373.541 3.067 20 0 FGADRP CSc1ccc([C@H](C)[NH2+]C[C@H](C(C)C)N2CC[NH+](C)CC2)cc1F ZINC000132457587 494878015 /nfs/dbraw/zinc/87/80/15/494878015.db2.gz DRSXHDPRFBOKEC-MAUKXSAKSA-N 2 0 353.551 3.470 20 0 FGADRP Cc1cc(Cl)cc2c1OCCC[C@H]2[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000121871209 494879378 /nfs/dbraw/zinc/87/93/78/494879378.db2.gz VRZCBKJRAVITAC-LJQANCHMSA-N 2 0 365.949 3.478 20 0 FGADRP Cn1cc(C[C@H]2CC[N@H+](CC(C)(C)C[NH+](C)Cc3ccccc3)C2)cn1 ZINC000093870360 494930110 /nfs/dbraw/zinc/93/01/10/494930110.db2.gz VZUNNTKQPHSHSP-HXUWFJFHSA-N 2 0 354.542 3.443 20 0 FGADRP CC[NH+](CC)Cc1cccc(C[NH2+][C@@H](C)CS(=O)(=O)c2ccccc2)c1 ZINC000122159189 494933004 /nfs/dbraw/zinc/93/30/04/494933004.db2.gz ZBUNKSLAWTUGQY-SFHVURJKSA-N 2 0 374.550 3.480 20 0 FGADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)C1 ZINC000127370009 494935503 /nfs/dbraw/zinc/93/55/03/494935503.db2.gz MLXTTWLSSZSKBS-MSOLQXFVSA-N 2 0 354.583 3.020 20 0 FGADRP C[C@H]([NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1)c1ccccc1N(C)C ZINC000093946714 494937906 /nfs/dbraw/zinc/93/79/06/494937906.db2.gz RSJCQOFLHXTZQK-KRWDZBQOSA-N 2 0 374.573 3.030 20 0 FGADRP COCC[N@H+](C)CCCC1CC[NH+](Cc2ncc(C)c(OC)c2C)CC1 ZINC000122216907 494941769 /nfs/dbraw/zinc/94/17/69/494941769.db2.gz HGKBWUANSGWFST-UHFFFAOYSA-N 2 0 363.546 3.277 20 0 FGADRP CC[NH+]1CCN(c2ccc(C[NH2+]C[C@@H](C)Cc3ccccc3)cn2)CC1 ZINC000133021082 494957117 /nfs/dbraw/zinc/95/71/17/494957117.db2.gz ROOYYVJZBKJZRK-IBGZPJMESA-N 2 0 352.526 3.192 20 0 FGADRP C[C@@H](C[NH2+][C@@H]1CCCc2ncc(C(F)(F)F)cc21)CN1CCOCC1 ZINC000133023524 494957672 /nfs/dbraw/zinc/95/76/72/494957672.db2.gz QVYKIQIPZANGCX-XJKSGUPXSA-N 2 0 357.420 3.036 20 0 FGADRP CCCC[NH+]1CCC(NC(=O)c2oc3ccccc3c2C[NH+](C)C)CC1 ZINC000118780874 495034614 /nfs/dbraw/zinc/03/46/14/495034614.db2.gz YIOKPGXVDOQCLU-UHFFFAOYSA-N 2 0 357.498 3.489 20 0 FGADRP O[C@H](C[NH2+]C1CC[NH+](C2CCCCC2)CC1)COc1ccc(F)c(F)c1 ZINC000133620973 495037137 /nfs/dbraw/zinc/03/71/37/495037137.db2.gz REPDGESAWZWFKL-QGZVFWFLSA-N 2 0 368.468 3.091 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@@H](C(C)C)[NH+]2CCC(C)CC2)[C@H](C)C1 ZINC000128303075 495076001 /nfs/dbraw/zinc/07/60/01/495076001.db2.gz JEQVRXKEUOBWSA-AABGKKOBSA-N 2 0 366.594 3.115 20 0 FGADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]C[C@H](O)Cc2ccc(C(F)(F)F)cc2)C1 ZINC000571551441 505760165 /nfs/dbraw/zinc/76/01/65/505760165.db2.gz MXNGRDIKADRQCO-FUHWJXTLSA-N 2 0 358.448 3.319 20 0 FGADRP C[NH+](C)Cc1ccc(C(=O)Nc2cc(C[NH3+])cc(C(F)(F)F)c2)cc1 ZINC000580444137 505760794 /nfs/dbraw/zinc/76/07/94/505760794.db2.gz SXMDJBLAMGBJQP-UHFFFAOYSA-N 2 0 351.372 3.478 20 0 FGADRP c1cncc(-c2cccc(C[NH+]3CCC(C[NH+]4CCOCC4)CC3)c2)c1 ZINC000134093338 495104824 /nfs/dbraw/zinc/10/48/24/495104824.db2.gz MTZIVQNREGETCP-UHFFFAOYSA-N 2 0 351.494 3.293 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1c(C)cccc1F ZINC000134110459 495107000 /nfs/dbraw/zinc/10/70/00/495107000.db2.gz DGJBBXIQRLGRJY-INIZCTEOSA-N 2 0 350.482 3.014 20 0 FGADRP C[NH+](C)CCCC1CC[NH+](CC(=O)NC2(c3ccccc3)CCC2)CC1 ZINC000123431655 495131134 /nfs/dbraw/zinc/13/11/34/495131134.db2.gz RENMWERADJNSOP-UHFFFAOYSA-N 2 0 357.542 3.236 20 0 FGADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+]Cc1cccc(OCc2ccc(F)cc2)c1 ZINC000119400180 495159202 /nfs/dbraw/zinc/15/92/02/495159202.db2.gz WHVZSWOWSPSBIR-GOSISDBHSA-N 2 0 371.500 3.130 20 0 FGADRP CC[C@@H]1C[N@H+](CC[C@@H]2CCC[NH+]2C)[C@H](CC)CN1CC[C@@H]1CCC[NH+]1C ZINC000129009545 495182189 /nfs/dbraw/zinc/18/21/89/495182189.db2.gz BBWFLGFVSFADLT-CZYKHXBRSA-N 3 0 364.622 3.130 20 0 FGADRP Cc1ccc([C@@H](CNC(=O)C[C@@H]([NH3+])c2ccccc2)[NH+]2CCCC2)cc1 ZINC000119581123 495195017 /nfs/dbraw/zinc/19/50/17/495195017.db2.gz OFTFNCWJJYMIAG-NHCUHLMSSA-N 2 0 351.494 3.338 20 0 FGADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)Nc1ccccc1Cc1ccccc1 ZINC000119734338 495229938 /nfs/dbraw/zinc/22/99/38/495229938.db2.gz IFVANVKQEWDZNW-UHFFFAOYSA-N 2 0 368.525 3.235 20 0 FGADRP CN(c1ccccc1C[N@H+](C)CCC1CCOCC1)C1CC[NH+](C)CC1 ZINC000129665595 495277929 /nfs/dbraw/zinc/27/79/29/495277929.db2.gz PXWSAVKTBWTGNN-UHFFFAOYSA-N 2 0 359.558 3.466 20 0 FGADRP CC(C)[C@H](C(=O)Nc1ccc(NC(=O)CC[NH+](C)C)cc1)[NH+]1CCCCC1 ZINC000104336839 495279066 /nfs/dbraw/zinc/27/90/66/495279066.db2.gz TYSFLUPXTMANMT-HXUWFJFHSA-N 2 0 374.529 3.026 20 0 FGADRP Cc1ccc(-c2nc(C[NH2+]CCCN3CCC[N@@H+](C)CC3)cs2)cc1 ZINC000113336930 495298038 /nfs/dbraw/zinc/29/80/38/495298038.db2.gz TYHBZBBICQQIHG-UHFFFAOYSA-N 2 0 358.555 3.236 20 0 FGADRP CC1CC[NH+](CCCCNC(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)CC1 ZINC000105133880 495340257 /nfs/dbraw/zinc/34/02/57/495340257.db2.gz HZXSBPINGAGTCK-HXUWFJFHSA-N 2 0 364.578 3.158 20 0 FGADRP CC[C@@H](Cc1ccccc1)[N@H+](CC)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000120531827 495399368 /nfs/dbraw/zinc/39/93/68/495399368.db2.gz NBIMJWIDBLZUCN-FQEVSTJZSA-N 2 0 357.542 3.073 20 0 FGADRP C[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)c1cc2ccccc2o1 ZINC000130534463 495406680 /nfs/dbraw/zinc/40/66/80/495406680.db2.gz GFARFGYTQUMJSD-INIZCTEOSA-N 2 0 350.466 3.430 20 0 FGADRP CCC[N@@H+](CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)CC1CC1 ZINC000114724106 495416617 /nfs/dbraw/zinc/41/66/17/495416617.db2.gz GGNNCSCPEXJDDJ-UHFFFAOYSA-N 2 0 361.555 3.296 20 0 FGADRP C[C@H]1C[C@H](C)C[NH+](CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)C1 ZINC000120644843 495425903 /nfs/dbraw/zinc/42/59/03/495425903.db2.gz YUYFCIHYTHWQDO-IRXDYDNUSA-N 2 0 361.555 3.152 20 0 FGADRP CCC(CC)(CNC(=O)[C@@H]1CC12CC[NH2+]CC2)[NH2+][C@@H](C)c1ccccc1 ZINC000137248977 495433101 /nfs/dbraw/zinc/43/31/01/495433101.db2.gz LADXKWMVOCNJKN-HKUYNNGSSA-N 2 0 357.542 3.402 20 0 FGADRP C[NH+]1CCN(c2ncccc2C[NH2+][C@@H]2CC[C@H](c3ccccc3)C2)CC1 ZINC000130803595 495448623 /nfs/dbraw/zinc/44/86/23/495448623.db2.gz VOBVSURKUOWLQU-PZJWPPBQSA-N 2 0 350.510 3.259 20 0 FGADRP CCC[NH+]1CCN(c2ccccc2C[N@H+](C)CCc2ccccn2)CC1 ZINC000120782655 495456991 /nfs/dbraw/zinc/45/69/91/495456991.db2.gz WIHYMEHVPJTWKO-UHFFFAOYSA-N 2 0 352.526 3.288 20 0 FGADRP Cc1ccc(OC(F)F)c([C@@H](C)[NH2+]C[C@H](C)CN2CC[NH+](C)CC2)c1 ZINC000120858517 495472299 /nfs/dbraw/zinc/47/22/99/495472299.db2.gz DAUJGHOASINWCN-JKSUJKDBSA-N 2 0 355.473 3.131 20 0 FGADRP [NH3+][C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCN(c3cccc(Br)c3)C2)C1 ZINC000571657408 505785079 /nfs/dbraw/zinc/78/50/79/505785079.db2.gz LWYXBEULONCAIL-IMJJTQAJSA-N 2 0 352.320 3.135 20 0 FGADRP CC[C@@H]([NH2+]C[C@H](C)CN1CC[NH+](C)CC1)c1ccc(OC(F)F)cc1 ZINC000121033087 495508497 /nfs/dbraw/zinc/50/84/97/495508497.db2.gz ZQSWXUXSQWHTMX-MAUKXSAKSA-N 2 0 355.473 3.212 20 0 FGADRP CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C(C)C)C2)cc1 ZINC000125882223 495513276 /nfs/dbraw/zinc/51/32/76/495513276.db2.gz SZYKVTYWHKUQAT-SJORKVTESA-N 2 0 367.559 3.219 20 0 FGADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H](C)c2ccc(Br)cc2F)CC1 ZINC000125894814 495515046 /nfs/dbraw/zinc/51/50/46/495515046.db2.gz HVZCQQWSXVBPAK-KBPBESRZSA-N 2 0 372.326 3.265 20 0 FGADRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@@H](C)c1ccc(NS(C)(=O)=O)cc1 ZINC000131285001 495516773 /nfs/dbraw/zinc/51/67/73/495516773.db2.gz ZAWKPNNQXUCMBI-CVEARBPZSA-N 2 0 355.548 3.219 20 0 FGADRP O=C([C@@H]1CCC[N@@H+]1Cc1ccccc1)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000107528322 495528527 /nfs/dbraw/zinc/52/85/27/495528527.db2.gz LDXNMQYVUMPWRJ-SFTDATJTSA-N 2 0 355.526 3.128 20 0 FGADRP CCCC[NH+]1CCC(NC(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)CC1 ZINC000158536212 495532604 /nfs/dbraw/zinc/53/26/04/495532604.db2.gz FNFRCLGKEPZSCN-OAQYLSRUSA-N 2 0 372.557 3.387 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+][C@@H]2CC[NH+](C[C@@H]3CCCO3)C[C@@H]2C)C1 ZINC000158591968 495545011 /nfs/dbraw/zinc/54/50/11/495545011.db2.gz KTSSBQWHEWWVSC-LILSUDLASA-N 3 0 365.606 3.224 20 0 FGADRP C[C@H](CNC(=O)NC1CC[NH+](C2CCCCC2)CC1)C[NH+]1CCCCC1 ZINC000176249002 495564094 /nfs/dbraw/zinc/56/40/94/495564094.db2.gz XLTHRNIIJMKKOT-GOSISDBHSA-N 2 0 364.578 3.205 20 0 FGADRP CC[NH+](CC)Cc1ccccc1CNC(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000173561452 495589050 /nfs/dbraw/zinc/58/90/50/495589050.db2.gz DWXIFLWGKHIVEZ-XLIONFOSSA-N 2 0 360.546 3.153 20 0 FGADRP CC[NH+](CC)Cc1cccc(NC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)c1 ZINC000154380807 495598694 /nfs/dbraw/zinc/59/86/94/495598694.db2.gz RSWMDZVOUISXQS-FQEVSTJZSA-N 2 0 359.514 3.110 20 0 FGADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H](O)COc2cc(C)ccc2Cl)[C@H](C)C1 ZINC000182528604 495600457 /nfs/dbraw/zinc/60/04/57/495600457.db2.gz GYOUCOSJILTXAZ-RYRKJORJSA-N 2 0 354.922 3.050 20 0 FGADRP CC[NH+]1CCC(CCNC(=O)N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)CC1 ZINC000182671725 495657612 /nfs/dbraw/zinc/65/76/12/495657612.db2.gz OHWYUTZGUNOYDG-PKOBYXMFSA-N 2 0 364.578 3.061 20 0 FGADRP C[C@@H]([NH2+]CCCOc1ccc2c(c1)OCO2)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185680626 495677370 /nfs/dbraw/zinc/67/73/70/495677370.db2.gz BVOAFKKAHKCWBR-IAGOWNOFSA-N 2 0 360.498 3.427 20 0 FGADRP C[C@@H]1C[C@@H](NC(=O)NCc2ccccc2C[NH+]2CCCCC2)C[N@@H+]1C1CC1 ZINC000154629345 495677410 /nfs/dbraw/zinc/67/74/10/495677410.db2.gz MPAHTIYHRDNKKW-YLJYHZDGSA-N 2 0 370.541 3.097 20 0 FGADRP C[NH+](C)CCNC(=O)c1ccc(C[NH2+]Cc2cccc(Cl)c2F)cc1 ZINC000150951986 495692692 /nfs/dbraw/zinc/69/26/92/495692692.db2.gz AIZZDFJUBJNQHS-UHFFFAOYSA-N 2 0 363.864 3.060 20 0 FGADRP Cc1nc(-c2cccnc2)sc1[C@@H](C)[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000150979880 495701271 /nfs/dbraw/zinc/70/12/71/495701271.db2.gz WMFNPLHAWJMXCW-OAHLLOKOSA-N 2 0 373.570 3.190 20 0 FGADRP CCCC[N@H+](C)CC1CCN(C(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000176571793 495704843 /nfs/dbraw/zinc/70/48/43/495704843.db2.gz CLIIRWFWFGKLMN-MOPGFXCFSA-N 2 0 352.567 3.013 20 0 FGADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc(OCc3nccn3C)cc2)C1 ZINC000151108355 495739817 /nfs/dbraw/zinc/73/98/17/495739817.db2.gz PHAQXIQQUOYUNJ-ZWKOTPCHSA-N 2 0 356.514 3.382 20 0 FGADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1csc(-c2ccc(F)cc2)n1 ZINC000185864420 495755738 /nfs/dbraw/zinc/75/57/38/495755738.db2.gz XLYYJEQFAMVMDL-OAHLLOKOSA-N 2 0 362.518 3.065 20 0 FGADRP COc1ccccc1NC(=O)CN(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000173977048 495771392 /nfs/dbraw/zinc/77/13/92/495771392.db2.gz WJXQPOJADSFCTJ-IBGZPJMESA-N 2 0 367.493 3.088 20 0 FGADRP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)[C@@H](C)[C@H]([NH3+])c2ccccc2)CC1 ZINC000577847556 505804180 /nfs/dbraw/zinc/80/41/80/505804180.db2.gz VGSDTTQIRRXXTF-FVJLSDCUSA-N 2 0 366.509 3.059 20 0 FGADRP COc1cc(-c2ccccc2)ccc1C[NH2+]C[C@@H](C)CN1CC[NH+](C)CC1 ZINC000183058461 495816941 /nfs/dbraw/zinc/81/69/41/495816941.db2.gz HCZYJLVEPMQXPJ-LJQANCHMSA-N 2 0 367.537 3.335 20 0 FGADRP CC[NH+]1CCC(CCNC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000174111753 495825034 /nfs/dbraw/zinc/82/50/34/495825034.db2.gz ZXNGFAURSWDAPC-OAQYLSRUSA-N 2 0 357.542 3.137 20 0 FGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]Cc2ccc(CO)cc2)CC1 ZINC000183104066 495835495 /nfs/dbraw/zinc/83/54/95/495835495.db2.gz CZRJIXMKDURFEK-KRWDZBQOSA-N 2 0 371.500 3.311 20 0 FGADRP CC(=O)N1CCC(C[NH2+][C@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000183139556 495850984 /nfs/dbraw/zinc/85/09/84/495850984.db2.gz JBKLOUHWICZRSH-VJBWXMMDSA-N 2 0 369.553 3.135 20 0 FGADRP CC[NH+](CC)C[C@@H]1CCN([C@@H](C)C(=O)NCc2ccc(Cl)cc2)C1 ZINC000174208022 495863957 /nfs/dbraw/zinc/86/39/57/495863957.db2.gz PPSTZCFWAFRZAC-RDJZCZTQSA-N 2 0 351.922 3.008 20 0 FGADRP C[C@H]1C[NH+](CCCC[NH2+]C2CCN(Cc3ccccc3)CC2)C[C@H](C)O1 ZINC000174316180 495907046 /nfs/dbraw/zinc/90/70/46/495907046.db2.gz OCIUQOPRYIFGRP-PMACEKPBSA-N 2 0 359.558 3.130 20 0 FGADRP C[C@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)c1cccc(F)c1F ZINC000183300176 495921133 /nfs/dbraw/zinc/92/11/33/495921133.db2.gz HSVGUUHBDCEWJP-AWEZNQCLSA-N 2 0 361.436 3.107 20 0 FGADRP C[N@@H+]1CCC[C@@H](CNCc2cc(Cl)ccc2OC[C@@H]2CCCO2)C1 ZINC000174422536 495952350 /nfs/dbraw/zinc/95/23/50/495952350.db2.gz MFEMGYRPWJGQFF-YJBOKZPZSA-N 2 0 352.906 3.329 20 0 FGADRP COc1cccc([C@@H](CNC(=O)C2CC[NH+](C(C)C)CC2)[NH+]2CCCC2)c1 ZINC000174425696 495953514 /nfs/dbraw/zinc/95/35/14/495953514.db2.gz ZXMVBOYOJPZUSM-OAQYLSRUSA-N 2 0 373.541 3.069 20 0 FGADRP Cc1ccc2c(c1)[C@H]([NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1)[C@H](C)C2 ZINC000180413368 495987621 /nfs/dbraw/zinc/98/76/21/495987621.db2.gz QXJDXJSADQEFOP-VGOFRKELSA-N 2 0 365.521 3.310 20 0 FGADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H]2CCc3cc(Br)ccc32)CC1 ZINC000155585606 496003008 /nfs/dbraw/zinc/00/30/08/496003008.db2.gz QIVSPIYZSNIRIT-KDOFPFPSSA-N 2 0 366.347 3.052 20 0 FGADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H](C)c2ccccc2Br)CC1 ZINC000155603692 496010538 /nfs/dbraw/zinc/01/05/38/496010538.db2.gz SZBWXFQVZHFINU-HUUCEWRRSA-N 2 0 354.336 3.126 20 0 FGADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H]2CCSc3ccc(Cl)cc32)CC1 ZINC000155639331 496021328 /nfs/dbraw/zinc/02/13/28/496021328.db2.gz JISWRYHXAYMNQE-PBHICJAKSA-N 2 0 353.963 3.493 20 0 FGADRP CC[C@H]([NH2+]C[C@@H](C)N1CC[NH+](CC)CC1)c1ccccc1OC(F)F ZINC000155695462 496037588 /nfs/dbraw/zinc/03/75/88/496037588.db2.gz FZDVVUYULWVRPA-WBVHZDCISA-N 2 0 355.473 3.355 20 0 FGADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H](C)c2ccc(SC)c(OC)c2)CC1 ZINC000155697317 496038774 /nfs/dbraw/zinc/03/87/74/496038774.db2.gz MEFGJNAADCUKAN-HOTGVXAUSA-N 2 0 351.560 3.094 20 0 FGADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000186567799 496048779 /nfs/dbraw/zinc/04/87/79/496048779.db2.gz CUNBUVMDPAFWEQ-GJZGRUSLSA-N 2 0 359.436 3.262 20 0 FGADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1ccc(Br)cc1 ZINC000186583781 496056919 /nfs/dbraw/zinc/05/69/19/496056919.db2.gz LIXOJHJBLYOAOU-CABCVRRESA-N 2 0 354.336 3.126 20 0 FGADRP Cc1ccccc1C[NH+]1CCC(NC(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC000155820357 496079275 /nfs/dbraw/zinc/07/92/75/496079275.db2.gz QMWUKENRRNZVST-UHFFFAOYSA-N 2 0 365.521 3.451 20 0 FGADRP C[C@@H](C(=O)Nc1ccccc1)[NH+]1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000177483209 496079512 /nfs/dbraw/zinc/07/95/12/496079512.db2.gz YVIRHWMHJLYMJE-OTWHNJEPSA-N 2 0 373.541 3.225 20 0 FGADRP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+]2C[C@@H]3CCCC[C@@H]3C2)CC1 ZINC000177521661 496096308 /nfs/dbraw/zinc/09/63/08/496096308.db2.gz YRYGEGXKHJGBOU-OYRHEFFESA-N 2 0 369.553 3.198 20 0 FGADRP CC[C@@H](C(=O)N1CCC(C[NH+](CC)CC)CC1)[N@H+](C)Cc1ccccc1 ZINC000574645616 505822934 /nfs/dbraw/zinc/82/29/34/505822934.db2.gz ANIDINQSTCLJHO-NRFANRHFSA-N 2 0 359.558 3.477 20 0 FGADRP CCc1noc(C2CCC([NH2+]CCCC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)n1 ZINC000183747070 496101843 /nfs/dbraw/zinc/10/18/43/496101843.db2.gz URYVKSFQRFXDRD-OQSMONGASA-N 2 0 364.534 3.137 20 0 FGADRP C[C@H]1C[C@H](N(C)C(=O)CCC2CC[NH2+]CC2)CC[N@@H+]1Cc1ccccc1 ZINC000155985128 496125068 /nfs/dbraw/zinc/12/50/68/496125068.db2.gz XEOFXNLOWHFYKB-GHTZIAJQSA-N 2 0 357.542 3.278 20 0 FGADRP C[NH+](C)[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)c1cccc(F)c1 ZINC000177600614 496126783 /nfs/dbraw/zinc/12/67/83/496126783.db2.gz DUAQIQZILNMYBO-XLIONFOSSA-N 2 0 361.505 3.199 20 0 FGADRP CCOc1ccc(C2(C[NH2+][C@H]3C[C@H](C)[N@H+](C)C[C@@H]3C)CCOCC2)cc1 ZINC000152457527 496157279 /nfs/dbraw/zinc/15/72/79/496157279.db2.gz AQLOFVHKKCQNFN-WFXMLNOXSA-N 2 0 360.542 3.452 20 0 FGADRP C[C@H]([NH2+]C1CCN(c2ccccn2)CC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000156215381 496189649 /nfs/dbraw/zinc/18/96/49/496189649.db2.gz YNDBOHCTAPHEDH-SFHVURJKSA-N 2 0 368.525 3.342 20 0 FGADRP C[C@@H]([NH2+]CC[C@H](C)[N@H+](C)Cc1ccccc1)c1ccc(-n2cnnn2)cc1 ZINC000156223819 496191878 /nfs/dbraw/zinc/19/18/78/496191878.db2.gz HTLQUSXUILEQOS-ZWKOTPCHSA-N 2 0 364.497 3.224 20 0 FGADRP C[C@@H](CC[NH2+][C@@H](C)c1ccc(-n2cnnn2)cc1)[N@H+](C)Cc1ccccc1 ZINC000156223648 496192058 /nfs/dbraw/zinc/19/20/58/496192058.db2.gz HTLQUSXUILEQOS-ROUUACIJSA-N 2 0 364.497 3.224 20 0 FGADRP CCCOc1ccc([C@H](C)[NH2+]Cc2cccnc2N2CC[NH+](C)CC2)cc1 ZINC000177809102 496204831 /nfs/dbraw/zinc/20/48/31/496204831.db2.gz ARTRWCMOXCYKHY-SFHVURJKSA-N 2 0 368.525 3.473 20 0 FGADRP CC[NH+](CC)[C@H](C)CNC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000156287709 496206790 /nfs/dbraw/zinc/20/67/90/496206790.db2.gz RDALGCVXFLAXPH-SFHLNBCPSA-N 2 0 374.573 3.411 20 0 FGADRP O=C(CC[N@@H+]1CC[C@@H](Oc2ccncc2)C1)Nc1ccc(Cl)cc1F ZINC000156312891 496212379 /nfs/dbraw/zinc/21/23/79/496212379.db2.gz VQSRQLJSPIXOCV-OAHLLOKOSA-N 2 0 363.820 3.356 20 0 FGADRP C[NH+](C)[C@H](CNC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1)C1CCCCC1 ZINC000156316508 496213738 /nfs/dbraw/zinc/21/37/38/496213738.db2.gz QBSLXDVLVPXOHL-VQTJNVASSA-N 2 0 364.578 3.157 20 0 FGADRP C[NH+](C)[C@@H](CNC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1)C1CCCCC1 ZINC000156316619 496214153 /nfs/dbraw/zinc/21/41/53/496214153.db2.gz QBSLXDVLVPXOHL-UXHICEINSA-N 2 0 364.578 3.157 20 0 FGADRP C[C@H]([NH3+])C1CCN(C(=O)NCc2ccccc2C[NH+]2CCC(C)CC2)CC1 ZINC000580764265 505833508 /nfs/dbraw/zinc/83/35/08/505833508.db2.gz QJAMBKDAMVUSBB-SFHVURJKSA-N 2 0 372.557 3.187 20 0 FGADRP CC[NH+]1CCN(CCC[NH2+][C@@H](C)c2cc(Br)ccc2F)CC1 ZINC000178003518 496283670 /nfs/dbraw/zinc/28/36/70/496283670.db2.gz DOPFKBCDTNVYFW-AWEZNQCLSA-N 2 0 372.326 3.266 20 0 FGADRP O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000178075578 496318154 /nfs/dbraw/zinc/31/81/54/496318154.db2.gz QOWMSJDRMPUPQJ-MJGOQNOKSA-N 2 0 359.514 3.187 20 0 FGADRP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)N2CCC[N@@H+](C3CCCC3)CC2)C1 ZINC000172542551 496336240 /nfs/dbraw/zinc/33/62/40/496336240.db2.gz HQVZQXCZISVYLE-RTBURBONSA-N 2 0 364.578 3.014 20 0 FGADRP CC[C@H](C)[C@H](C)C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC000184328699 496337120 /nfs/dbraw/zinc/33/71/20/496337120.db2.gz AQRRNGMKLOOEKN-QGZVKYPTSA-N 2 0 351.579 3.464 20 0 FGADRP CCOc1ccc([C@H](C)NC(=O)CCC[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000181279509 496337941 /nfs/dbraw/zinc/33/79/41/496337941.db2.gz DIIFDLLYJHIVGN-ZIFCJYIRSA-N 2 0 361.530 3.115 20 0 FGADRP C[C@@H]1C[C@@H](NC(=O)NCCC[NH+]2CCCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000175327903 496340407 /nfs/dbraw/zinc/34/04/07/496340407.db2.gz LTUUREQTPBJLGY-CTNGQTDRSA-N 2 0 372.557 3.215 20 0 FGADRP COC[C@@H](C)[NH2+]CCCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000153092633 496350724 /nfs/dbraw/zinc/35/07/24/496350724.db2.gz JTXATVOBVVHQLE-MRXNPFEDSA-N 2 0 373.463 3.232 20 0 FGADRP C[C@@H]([NH2+][C@@H](C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000181348966 496362585 /nfs/dbraw/zinc/36/25/85/496362585.db2.gz XVGIDGCSTIRONA-LVCYWYKZSA-N 2 0 351.494 3.116 20 0 FGADRP C[NH+](C)CCOc1cccc(C[NH2+]C2CCN(c3ccccc3)CC2)c1 ZINC000162569888 496375577 /nfs/dbraw/zinc/37/55/77/496375577.db2.gz BNOSNBRNORKYJA-UHFFFAOYSA-N 2 0 353.510 3.386 20 0 FGADRP CC(C)[C@@H](Cc1ccccc1)[NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000187347924 496403224 /nfs/dbraw/zinc/40/32/24/496403224.db2.gz OYESTTHPRYTTPR-JOCHJYFZSA-N 2 0 367.537 3.335 20 0 FGADRP CN(c1ccccc1C[NH2+][C@H]1CCO[C@H](C2CC2)C1)C1CC[NH+](C)CC1 ZINC000157096689 496404680 /nfs/dbraw/zinc/40/46/80/496404680.db2.gz DNCJQJFLWZULKL-UGKGYDQZSA-N 2 0 357.542 3.264 20 0 FGADRP CC[S@](=O)[C@H]1CCC[C@H]([NH2+][C@@H](C)c2cccc(OCC[NH+](C)C)c2)C1 ZINC000162875545 496426755 /nfs/dbraw/zinc/42/67/55/496426755.db2.gz KAZLIBACXNTVAT-CGOGLYEHSA-N 2 0 366.571 3.357 20 0 FGADRP CCO[C@@H]1C[C@H]([NH2+]Cc2ccnc(N3CC[NH+](C)CC3)c2)C12CCCCC2 ZINC000181516183 496428760 /nfs/dbraw/zinc/42/87/60/496428760.db2.gz DNKXOKAVRQHLMY-VQTJNVASSA-N 2 0 372.557 3.051 20 0 FGADRP CCO[C@H]1C[C@@H]([NH2+]Cc2ccnc(N3CC[NH+](C)CC3)c2)C12CCCCC2 ZINC000181516239 496428954 /nfs/dbraw/zinc/42/89/54/496428954.db2.gz DNKXOKAVRQHLMY-UXHICEINSA-N 2 0 372.557 3.051 20 0 FGADRP CC(C)[NH+](CCNC(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1)C(C)C ZINC000175533381 496430697 /nfs/dbraw/zinc/43/06/97/496430697.db2.gz LCTVLIZPFCIHIY-UHFFFAOYSA-N 2 0 374.573 3.411 20 0 FGADRP CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000187474849 496457414 /nfs/dbraw/zinc/45/74/14/496457414.db2.gz HHBAEKFGIDIMMO-LEWJYISDSA-N 2 0 372.557 3.023 20 0 FGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCOc2ccccc2Cl)[C@H](C)C1 ZINC000181652971 496488779 /nfs/dbraw/zinc/48/87/79/496488779.db2.gz TYKJOGXDPAKYLF-SJLPKXTDSA-N 2 0 354.922 3.445 20 0 FGADRP Cc1ccc([C@@H](CNC(=O)NC2CC[NH+](C3CCCC3)CC2)[NH+](C)C)cc1 ZINC000175687440 496500867 /nfs/dbraw/zinc/50/08/67/496500867.db2.gz LQYNUEKEAWQUFP-OAQYLSRUSA-N 2 0 372.557 3.304 20 0 FGADRP C[NH+](C)CC1CCC(NC(=O)NCc2ccccc2C[NH+]2CCCC2)CC1 ZINC000178606378 496513754 /nfs/dbraw/zinc/51/37/54/496513754.db2.gz WMJYXLLFILETSF-UHFFFAOYSA-N 2 0 372.557 3.202 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1cccc(SC)c1 ZINC000157634113 496518737 /nfs/dbraw/zinc/51/87/37/496518737.db2.gz JTTNMAQZZZKFDI-QGZVFWFLSA-N 2 0 364.559 3.288 20 0 FGADRP C[C@@H]([NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1)c1ccc2c(c1)CCC2 ZINC000163507407 496525969 /nfs/dbraw/zinc/52/59/69/496525969.db2.gz KOHYBXFMZZLJAV-QGZVFWFLSA-N 2 0 371.569 3.453 20 0 FGADRP C[C@H](C(=O)NCc1ccccc1C[NH+]1CCCC1)[C@H]([NH3+])c1ccccc1 ZINC000178670569 496534911 /nfs/dbraw/zinc/53/49/11/496534911.db2.gz IOIVRKYFQHQPTR-UWJYYQICSA-N 2 0 351.494 3.235 20 0 FGADRP CCC[NH+]1CCC(CNC(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)CC1 ZINC000157747373 496543924 /nfs/dbraw/zinc/54/39/24/496543924.db2.gz GJSFUPZABPCTQA-OAQYLSRUSA-N 2 0 372.557 3.245 20 0 FGADRP C[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CC[C@](C)(c4ccccc4)C3)cn2)CC1 ZINC000187742207 496554245 /nfs/dbraw/zinc/55/42/45/496554245.db2.gz YBTWPGDTFANYON-GGAORHGYSA-N 2 0 364.537 3.433 20 0 FGADRP C[C@H](CCNC(=O)NCCCC[N@@H+]1CCC[C@H](C)C1)[NH+]1CCCCC1 ZINC000184844588 496554338 /nfs/dbraw/zinc/55/43/38/496554338.db2.gz MOUJSFBHVYUQDB-RBUKOAKNSA-N 2 0 352.567 3.062 20 0 FGADRP COC[C@H]([NH2+]Cc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1)C1CCOCC1 ZINC000187771111 496565442 /nfs/dbraw/zinc/56/54/42/496565442.db2.gz VKZQIVYWIPLPBM-AVRDEDQJSA-N 2 0 360.542 3.450 20 0 FGADRP CC1(C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)CC[NH+](Cc2ccccc2)CC1 ZINC000157844116 496569028 /nfs/dbraw/zinc/56/90/28/496569028.db2.gz BNEXIBBCFJSODY-OAQYLSRUSA-N 2 0 369.553 3.376 20 0 FGADRP C[N@H+](CCOc1cccc(C[NH2+]C(C2CC2)C2CC2)c1)C1CCOCC1 ZINC000163946227 496573290 /nfs/dbraw/zinc/57/32/90/496573290.db2.gz BNACAJIEHCPBKY-UHFFFAOYSA-N 2 0 358.526 3.454 20 0 FGADRP Cc1cc(C[NH2+]C[C@H](c2cccs2)N2CCN(C)CC2)cc(C)c1O ZINC000574777142 505853039 /nfs/dbraw/zinc/85/30/39/505853039.db2.gz HPFNXHGWFXDYSK-GOSISDBHSA-N 2 0 359.539 3.149 20 0 FGADRP Cc1ccc([C@H](CNC(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)[NH+](C)C)cc1 ZINC000157907532 496581586 /nfs/dbraw/zinc/58/15/86/496581586.db2.gz GRACMIFPASIQII-SFTDATJTSA-N 2 0 372.557 3.258 20 0 FGADRP CC(C)(C)[C@H]([NH3+])C(=O)N1CCCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000164102473 496586638 /nfs/dbraw/zinc/58/66/38/496586638.db2.gz IDCANTLFMWBNFN-MRXNPFEDSA-N 2 0 371.447 3.113 20 0 FGADRP CC[C@H](C(=O)N(C)C[C@H]1CC[N@H+](Cc2ccc(C)s2)C1)[NH+](CC)CC ZINC000571953276 505853928 /nfs/dbraw/zinc/85/39/28/505853928.db2.gz OILQMCWWBMJPIC-IEBWSBKVSA-N 2 0 365.587 3.457 20 0 FGADRP C[C@H](CNC(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1)C[NH+]1CCCC1 ZINC000175906365 496597096 /nfs/dbraw/zinc/59/70/96/496597096.db2.gz MMVMAFDLRFUKTO-LJQANCHMSA-N 2 0 372.557 3.024 20 0 FGADRP CC[N@H+](C)Cc1cccc(CNC(=O)NCC[C@@H](C)[NH+]2CCCCC2)c1 ZINC000184985911 496611993 /nfs/dbraw/zinc/61/19/93/496611993.db2.gz ULFUGNHZZVMAAR-GOSISDBHSA-N 2 0 360.546 3.202 20 0 FGADRP C[C@@H](Cn1cc(Br)cn1)[NH2+]CCCCC[NH+]1CCCCC1 ZINC000164628266 496625190 /nfs/dbraw/zinc/62/51/90/496625190.db2.gz OBLKSLRRDKHSLU-HNNXBMFYSA-N 2 0 357.340 3.280 20 0 FGADRP COc1ccc2c(c1)[C@@H]([NH2+]C[C@@H](C)CN1CC[NH+](C)CC1)CCCS2 ZINC000187955572 496630185 /nfs/dbraw/zinc/63/01/85/496630185.db2.gz GZFKIDBBPPTWJR-APWZRJJASA-N 2 0 363.571 3.095 20 0 FGADRP C[C@@H]([NH2+]CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)c1ccc(Cl)cc1 ZINC000182012737 496634141 /nfs/dbraw/zinc/63/41/41/496634141.db2.gz CGMYYNMEJXOWIG-BEFAXECRSA-N 2 0 359.901 3.410 20 0 FGADRP CC[C@H](CNC(=O)CC[C@H]([NH3+])c1ccccc1)[N@@H+]1CCc2ccccc2C1 ZINC000164948033 496641449 /nfs/dbraw/zinc/64/14/49/496641449.db2.gz VKFGXQNYVZWOBT-YADHBBJMSA-N 2 0 365.521 3.420 20 0 FGADRP C[C@@H](Cc1ccccc1)C[NH+]1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000182034585 496643127 /nfs/dbraw/zinc/64/31/27/496643127.db2.gz PTMMOLWQUYACFJ-IBGZPJMESA-N 2 0 373.585 3.281 20 0 FGADRP COc1ccc2c(c1)[C@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)CCCS2 ZINC000187994147 496644798 /nfs/dbraw/zinc/64/47/98/496644798.db2.gz IEBRPLBJDMBGOI-VQIMIIECSA-N 2 0 364.555 3.449 20 0 FGADRP COc1ccc([C@H](C)[NH2+]Cc2ccccc2OCC[NH+](C)C)cc1OC ZINC000173364868 496660748 /nfs/dbraw/zinc/66/07/48/496660748.db2.gz YRPPWXLMAZETTQ-INIZCTEOSA-N 2 0 358.482 3.495 20 0 FGADRP COc1ccc([C@H](CN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)[NH+]2CCCCC2)cc1 ZINC000165969248 496674411 /nfs/dbraw/zinc/67/44/11/496674411.db2.gz FFEJLGMDGBTYBZ-SJBKTWHCSA-N 2 0 357.542 3.439 20 0 FGADRP CC(C)[N@H+](C)Cc1cccc(CNC(=O)[C@H]2[NH2+]CCc3ccccc32)c1 ZINC000166001208 496675782 /nfs/dbraw/zinc/67/57/82/496675782.db2.gz IEAKPUYBNOTRKI-NRFANRHFSA-N 2 0 351.494 3.030 20 0 FGADRP COc1cc(Cl)c(C)cc1NC(=O)CC[NH2+][C@H]1C[C@H](C)N(C2CC2)C1 ZINC000158401039 496693291 /nfs/dbraw/zinc/69/32/91/496693291.db2.gz NZYDGJXZWLMFEH-KBPBESRZSA-N 2 0 365.905 3.200 20 0 FGADRP C[C@@H]1C[C@H](NC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)CC[N@@H+]1Cc1ccccc1 ZINC000167542469 496702136 /nfs/dbraw/zinc/70/21/36/496702136.db2.gz MHZNEGNRDOVNAB-VLQCVTHLSA-N 2 0 355.526 3.076 20 0 FGADRP CCC[C@@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)c1ccc(OC)cc1 ZINC000158442675 496703100 /nfs/dbraw/zinc/70/31/00/496703100.db2.gz UQYTYZMJWGNLAR-OAQYLSRUSA-N 2 0 368.525 3.473 20 0 FGADRP CN(C(=O)[C@@H]1CCCCCC[C@@H]1[NH3+])C1CC[NH+](Cc2ccccc2)CC1 ZINC000167669393 496704979 /nfs/dbraw/zinc/70/49/79/496704979.db2.gz GHOKALGSBKXGDT-RTWAWAEBSA-N 2 0 357.542 3.407 20 0 FGADRP Cc1ccccc1C(C)(C)C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000179232264 496717654 /nfs/dbraw/zinc/71/76/54/496717654.db2.gz OOEMPXCTEMRXDV-YOFSQIOKSA-N 2 0 369.553 3.042 20 0 FGADRP CCCNC(=O)C[NH+]1CCC(Nc2c(C)c[nH+]c3c(C)cccc23)CC1 ZINC000185272124 496722084 /nfs/dbraw/zinc/72/20/84/496722084.db2.gz IUSTVGZIUWLVDR-UHFFFAOYSA-N 2 0 354.498 3.254 20 0 FGADRP CC(C)[N@@H+](C)C[C@H](C)NC(=O)N1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000578105448 505862096 /nfs/dbraw/zinc/86/20/96/505862096.db2.gz CFMSXOYAEQZLFR-UGKGYDQZSA-N 2 0 372.557 3.023 20 0 FGADRP C[C@H](NC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182352066 496730966 /nfs/dbraw/zinc/73/09/66/496730966.db2.gz DSTWPSHZINTRRL-CUWPLCDZSA-N 2 0 372.557 3.242 20 0 FGADRP COc1cccc2c1CCC[C@@H]2[NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000194843497 496733476 /nfs/dbraw/zinc/73/34/76/496733476.db2.gz FGFNIEMAXNJGNT-FQEVSTJZSA-N 2 0 366.509 3.009 20 0 FGADRP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)CC1CC[NH+](C)CC1 ZINC000273183991 496733831 /nfs/dbraw/zinc/73/38/31/496733831.db2.gz HAAHBWVRYWFBPD-NRFANRHFSA-N 2 0 357.542 3.089 20 0 FGADRP COc1cc(C)c([C@@H](C)[NH2+]Cc2cccnc2N2CC[NH+](C)CC2)cc1C ZINC000273229159 496746843 /nfs/dbraw/zinc/74/68/43/496746843.db2.gz WSNVCSNRMSHBBP-GOSISDBHSA-N 2 0 368.525 3.310 20 0 FGADRP C[N@H+](C[C@@H](O)COc1c(Cl)cccc1Cl)C[C@H]1CCC[NH+](C)C1 ZINC000247026627 496756450 /nfs/dbraw/zinc/75/64/50/496756450.db2.gz QZEIAVZXWDWHOD-UONOGXRCSA-N 2 0 361.313 3.007 20 0 FGADRP C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2C[NH+]2C[C@@H](C)O[C@H](C)C2)CN1C1CC1 ZINC000247033463 496758210 /nfs/dbraw/zinc/75/82/10/496758210.db2.gz NRMVLSFBDFHKAX-NEYJZJCJSA-N 2 0 357.542 3.011 20 0 FGADRP C[C@@H]([NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1)c1cccc(O)c1 ZINC000194925833 496762558 /nfs/dbraw/zinc/76/25/58/496762558.db2.gz JNXAGLSVMZSFOK-QGZVFWFLSA-N 2 0 367.493 3.069 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CC[NH+](Cc3ccccc3)[C@@H]2C)C[C@H]1C ZINC000574835232 505864700 /nfs/dbraw/zinc/86/47/00/505864700.db2.gz BLCFLOULYFEXIL-RMVXJAJNSA-N 2 0 372.557 3.164 20 0 FGADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H](C)CC(=O)N(C)Cc2ccccc2Cl)C1 ZINC000247073756 496770811 /nfs/dbraw/zinc/77/08/11/496770811.db2.gz OKLGWEJNJRVBAI-HZPDHXFCSA-N 2 0 351.922 3.008 20 0 FGADRP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)CC1 ZINC000247077561 496771968 /nfs/dbraw/zinc/77/19/68/496771968.db2.gz XKGPYQXXPHNIQX-HLIPFELVSA-N 2 0 370.541 3.136 20 0 FGADRP CC[N@@H+]1CC[C@@H]([NH2+]CCCC[NH+]2CCN(c3cccc(C)c3)CC2)[C@@H](C)C1 ZINC000247140816 496791250 /nfs/dbraw/zinc/79/12/50/496791250.db2.gz SILJVOLGSNXUBW-JTHBVZDNSA-N 3 0 372.601 3.217 20 0 FGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H]2CCSc3ccc(OC)cc32)CC1 ZINC000191510146 496791336 /nfs/dbraw/zinc/79/13/36/496791336.db2.gz VCFAFKQGLMADCE-APWZRJJASA-N 2 0 363.571 3.095 20 0 FGADRP CC[NH+](CC)C[C@@H]1CC[N@H+](CCC(=O)N[C@H]2CCCc3ccccc32)C1 ZINC000247214979 496806644 /nfs/dbraw/zinc/80/66/44/496806644.db2.gz COAKPZYJQALCCQ-RXVVDRJESA-N 2 0 357.542 3.234 20 0 FGADRP C[C@H]([NH2+]CCc1ccc(OCC[NH+](C)C)cc1)c1ccc([S@@](C)=O)cc1 ZINC000268870864 496810411 /nfs/dbraw/zinc/81/04/11/496810411.db2.gz KDUOBYFUBZMJTI-MRDQGFSESA-N 2 0 374.550 3.258 20 0 FGADRP COc1cccc2c1CC[C@@H]2[NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000268878799 496812903 /nfs/dbraw/zinc/81/29/03/496812903.db2.gz MKKDOWPEJRRTII-QFIPXVFZSA-N 2 0 366.505 3.429 20 0 FGADRP Cc1ccc2nc(C[NH2+][C@H](C)c3ccc(OCC[NH+](C)C)cc3)cn2c1 ZINC000268923705 496824553 /nfs/dbraw/zinc/82/45/53/496824553.db2.gz QZORCUSZKDKFJY-QGZVFWFLSA-N 2 0 352.482 3.434 20 0 FGADRP O[C@H](COc1ccccc1Cl)CN1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000247294241 496827330 /nfs/dbraw/zinc/82/73/30/496827330.db2.gz FKONCEPPNUSPAP-SJORKVTESA-N 2 0 352.906 3.030 20 0 FGADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H](C)c1ccc(OC(F)F)c(OC)c1 ZINC000269075182 496865411 /nfs/dbraw/zinc/86/54/11/496865411.db2.gz NJUIHNNAFJVYGT-DZGCQCFKSA-N 2 0 360.445 3.304 20 0 FGADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H](Cc1ccccc1F)c1ccccc1 ZINC000191729697 496870734 /nfs/dbraw/zinc/87/07/34/496870734.db2.gz PXKMMFBALLLIHF-XMSQKQJNSA-N 2 0 355.501 3.335 20 0 FGADRP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)[C@H](C)[C@H]([NH3+])c1ccccc1 ZINC000269243211 496903310 /nfs/dbraw/zinc/90/33/10/496903310.db2.gz CHUWGXSEMLGQDU-UTKZUKDTSA-N 2 0 366.509 3.021 20 0 FGADRP C[C@@H]1CN(Cc2ccccn2)CC[C@H]1[NH2+]Cc1ccc(F)c(C[NH+](C)C)c1 ZINC000247930226 496928577 /nfs/dbraw/zinc/92/85/77/496928577.db2.gz BXTLTVBQVYKUTM-VGOFRKELSA-N 2 0 370.516 3.283 20 0 FGADRP C[N@@H+]1CCC[C@H]2C[NH+](CCc3nc(-c4ccc(Cl)cc4)no3)CC[C@H]21 ZINC000247950092 496931220 /nfs/dbraw/zinc/93/12/20/496931220.db2.gz DYOUAWCECVXPMO-DOTOQJQBSA-N 2 0 360.889 3.349 20 0 FGADRP C[N@@H+]1CC[C@@H](NC(=O)N2CCC[NH+](C3CCCC3)CC2)[C@H]1c1ccccc1 ZINC000248035659 496945440 /nfs/dbraw/zinc/94/54/40/496945440.db2.gz LCPSMYLBQVKGAY-NHCUHLMSSA-N 2 0 370.541 3.092 20 0 FGADRP C[C@@H](NCCC[N@@H+]1CCCC[C@@H]1C)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000248044538 496947142 /nfs/dbraw/zinc/94/71/42/496947142.db2.gz UNNYWSLGNPTHHE-LSDHHAIUSA-N 2 0 356.507 3.144 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2ccc([S@](C)=O)cc2)[C@H](C)C1 ZINC000248120106 496956387 /nfs/dbraw/zinc/95/63/87/496956387.db2.gz NGAIEBOSQKBQRO-ZIWZYBDVSA-N 2 0 366.571 3.212 20 0 FGADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@H]3CCCCN3Cc3ccc(F)cc3)CC[C@H]21 ZINC000248163810 496966841 /nfs/dbraw/zinc/96/68/41/496966841.db2.gz SPEPYVMIKCFLEO-HMXCVIKNSA-N 2 0 373.516 3.123 20 0 FGADRP C[C@@H](NC(=O)N[C@@H](C)C[N@@H+]1CCC[C@@H](C)C1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000248393900 496992796 /nfs/dbraw/zinc/99/27/96/496992796.db2.gz FEPDYGVGYXKXEY-HCXYKTFWSA-N 2 0 364.578 3.059 20 0 FGADRP CN(C)[C@H](C[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12)c1ccco1 ZINC000248412953 497002646 /nfs/dbraw/zinc/00/26/46/497002646.db2.gz KLENGEUVPGBRHN-PLACYPQZSA-N 2 0 353.510 3.383 20 0 FGADRP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(C[NH2+][C@@H]3CCC34CCCC4)c2)C1 ZINC000189117845 497014001 /nfs/dbraw/zinc/01/40/01/497014001.db2.gz QVLYGMXRCFMLEL-WOJBJXKFSA-N 2 0 355.526 3.196 20 0 FGADRP C[C@H](CNC(=O)NCCCC[N@@H+]1CCCC[C@@H]1C)[NH+]1CCC[C@@H](C)C1 ZINC000221566234 497019889 /nfs/dbraw/zinc/01/98/89/497019889.db2.gz NTJSLGRUSCUKRW-CEXWTWQISA-N 2 0 352.567 3.061 20 0 FGADRP COc1ccccc1[C@H](CNC(=O)c1ccc([C@@H](C)[NH3+])cc1)[NH+]1CCCC1 ZINC000569216550 505881473 /nfs/dbraw/zinc/88/14/73/505881473.db2.gz LXNMMWYOPDFGGZ-UZLBHIALSA-N 2 0 367.493 3.282 20 0 FGADRP Cc1ccc(CNC(=O)[C@H](C)N[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cc1 ZINC000248605525 497054530 /nfs/dbraw/zinc/05/45/30/497054530.db2.gz WELCGGRTYVMQNK-HBFSDRIKSA-N 2 0 357.542 3.242 20 0 FGADRP C[NH2+]C[C@H](C)C(=O)NCc1ccccc1-c1ccc(C[NH+]2CCCC2)cc1 ZINC000578190036 505882849 /nfs/dbraw/zinc/88/28/49/505882849.db2.gz QBGMFRZWKUOKKA-SFHVURJKSA-N 2 0 365.521 3.421 20 0 FGADRP OC[C@H](Cc1ccccc1)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000248823535 497110111 /nfs/dbraw/zinc/11/01/11/497110111.db2.gz FNXXPVCGDHHJEG-GPJHCHHRSA-N 2 0 350.506 3.375 20 0 FGADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000248826256 497111938 /nfs/dbraw/zinc/11/19/38/497111938.db2.gz LYOYPMLDEKPKHI-QFBILLFUSA-N 2 0 372.557 3.115 20 0 FGADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)[C@@H]1[NH2+]CCc2ccccc21 ZINC000236655728 497127282 /nfs/dbraw/zinc/12/72/82/497127282.db2.gz JVHHXNAUPSUKOE-OAQYLSRUSA-N 2 0 351.494 3.030 20 0 FGADRP CC(C)(C)[C@H](C[N@@H+]1CCc2ccccc2C1)NC(=O)c1ccc(C[NH3+])cc1 ZINC000236674595 497131440 /nfs/dbraw/zinc/13/14/40/497131440.db2.gz YJAOAENXKVQARD-NRFANRHFSA-N 2 0 365.521 3.348 20 0 FGADRP CC1CC[NH+]([C@@H](CNC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)c2ccccc2)CC1 ZINC000236727655 497138408 /nfs/dbraw/zinc/13/84/08/497138408.db2.gz SACBTWCOGUPWEU-VCWGRIPDSA-N 2 0 369.553 3.497 20 0 FGADRP [NH3+]C[C@H](NC(=O)C1(c2ccccc2)CC[NH2+]CC1)c1ccc2ccccc2c1 ZINC000192551349 497147350 /nfs/dbraw/zinc/14/73/50/497147350.db2.gz URWIHYXICGVEJJ-QFIPXVFZSA-N 2 0 373.500 3.277 20 0 FGADRP O=C(C1CC[NH+](Cc2ccccc2)CC1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000265727428 497169634 /nfs/dbraw/zinc/16/96/34/497169634.db2.gz PHOTVTXZVRSPFB-UHFFFAOYSA-N 2 0 369.553 3.376 20 0 FGADRP CC[NH+](CC)Cc1ccc(CNC(=O)N(C)CC2([NH+](C)C)CCC2)cc1 ZINC000189625255 497185369 /nfs/dbraw/zinc/18/53/69/497185369.db2.gz PFSUCGFWONLQLW-UHFFFAOYSA-N 2 0 360.546 3.154 20 0 FGADRP C[C@H]([NH2+][C@@H]1CCN(c2ccccn2)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274866799 497186519 /nfs/dbraw/zinc/18/65/19/497186519.db2.gz DZQRWJGZMZKCRB-CEWLAPEOSA-N 2 0 350.510 3.161 20 0 FGADRP C[NH+](C)[C@@H](CNC(=O)C[N@@H+]1CCC[C@H]1c1ccccc1)c1ccccc1 ZINC000249377419 497195720 /nfs/dbraw/zinc/19/57/20/497195720.db2.gz YVTVJQATZMHCEW-SFTDATJTSA-N 2 0 351.494 3.243 20 0 FGADRP C[C@@H]([NH2+]Cc1cccnc1-n1ccnc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274905875 497195936 /nfs/dbraw/zinc/19/59/36/497195936.db2.gz MDWWYBIXORAJJE-WIYYLYMNSA-N 2 0 361.493 3.268 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)[C@@H](C[NH3+])c2ccccc2)cc1 ZINC000237348482 497224737 /nfs/dbraw/zinc/22/47/37/497224737.db2.gz NFDLILWUAAVMQZ-GCJKJVERSA-N 2 0 365.521 3.420 20 0 FGADRP COc1cccc2c1CCC[C@@H]2[NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000249581611 497224728 /nfs/dbraw/zinc/22/47/28/497224728.db2.gz NMFIGQMFXOCXHU-KNQAVFIVSA-N 2 0 366.505 3.429 20 0 FGADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)C2CC[NH+](Cc3ccccc3)CC2)[C@H](C)C1 ZINC000266014604 497232205 /nfs/dbraw/zinc/23/22/05/497232205.db2.gz UJSBQLHMCRVREE-WIYYLYMNSA-N 2 0 357.542 3.087 20 0 FGADRP CC[N@H+](Cc1ccc(C(=O)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc1)C(C)C ZINC000572117394 505894194 /nfs/dbraw/zinc/89/41/94/505894194.db2.gz HPXRXBAAPUHKRO-SFTDATJTSA-N 2 0 357.542 3.379 20 0 FGADRP Cn1cc(C[NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)c(-c2cccnc2)n1 ZINC000192932300 497251499 /nfs/dbraw/zinc/25/14/99/497251499.db2.gz PPIVNXDJUPEKDD-LJQANCHMSA-N 2 0 361.493 3.094 20 0 FGADRP C[C@H](C(=O)NCC1CC[NH+](Cc2cccs2)CC1)[C@H]([NH3+])c1ccccc1 ZINC000237567135 497256768 /nfs/dbraw/zinc/25/67/68/497256768.db2.gz GSTOMNWKNIYANP-JXFKEZNVSA-N 2 0 371.550 3.412 20 0 FGADRP Cc1ccccc1C[NH+]1CCC(NC(=O)[C@H](C)[C@@H]([NH3+])c2ccccc2)CC1 ZINC000237601515 497261073 /nfs/dbraw/zinc/26/10/73/497261073.db2.gz OEWYWIWWOOZMSH-XMSQKQJNSA-N 2 0 365.521 3.412 20 0 FGADRP C[C@H](CC(=O)NCC1CC[NH+](Cc2cccs2)CC1)C1CC[NH2+]CC1 ZINC000237613903 497263358 /nfs/dbraw/zinc/26/33/58/497263358.db2.gz TXRRGCQOGYPDRR-MRXNPFEDSA-N 2 0 363.571 3.102 20 0 FGADRP O=C(C1CC[NH+](Cc2ccccc2)CC1)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000266215338 497281547 /nfs/dbraw/zinc/28/15/47/497281547.db2.gz YPWIZBQJQSQAEN-OAQYLSRUSA-N 2 0 369.553 3.233 20 0 FGADRP C[C@@H]1C[C@H](N(C)C(=O)NC[C@@]2(C)CCC[NH+]2Cc2ccccc2)CC[N@@H+]1C ZINC000251720180 497283244 /nfs/dbraw/zinc/28/32/44/497283244.db2.gz LMNWPUAMYMLKAY-SYYKKAFVSA-N 2 0 372.557 3.165 20 0 FGADRP C[C@@H]1C[C@@H](NC(=O)NCC[N@H+]2CCCC[C@H]2C)CC[NH+]1Cc1ccccc1 ZINC000252652477 497315151 /nfs/dbraw/zinc/31/51/51/497315151.db2.gz QQEYOFYHWJIZRU-SBHAEUEKSA-N 2 0 372.557 3.213 20 0 FGADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)N[C@@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000245399541 497385305 /nfs/dbraw/zinc/38/53/05/497385305.db2.gz ALSUTSUMDGYXDH-MOPGFXCFSA-N 2 0 374.573 3.400 20 0 FGADRP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC1CC[NH+](CC)CC1 ZINC000266694603 497399861 /nfs/dbraw/zinc/39/98/61/497399861.db2.gz MRVGEHDABSWORW-FQEVSTJZSA-N 2 0 372.557 3.024 20 0 FGADRP CC[N@@H+]1CC[C@H]([NH+](C)CCC(=O)Nc2ccc(Cl)cc2F)[C@@H](C)C1 ZINC000245434737 497403846 /nfs/dbraw/zinc/40/38/46/497403846.db2.gz QAQBYAASUUUQFJ-GUYCJALGSA-N 2 0 355.885 3.470 20 0 FGADRP C[C@H](NC(=O)[C@@H]([NH3+])CC1CCCCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261585065 497416048 /nfs/dbraw/zinc/41/60/48/497416048.db2.gz IFYJXGGEBCJGFN-YYWHXJBOSA-N 2 0 357.542 3.311 20 0 FGADRP Clc1ccc(OCCN2CC[C@@H]3C[NH2+]C[C@@H]3C2)c(Br)c1 ZINC000261672337 497430692 /nfs/dbraw/zinc/43/06/92/497430692.db2.gz GAOVXWRQSKGACO-VXGBXAGGSA-N 2 0 359.695 3.023 20 0 FGADRP CCOc1ccc(C[N@H+](CCCn2ccnc2)CCc2cnn(C)c2)cc1 ZINC000271734072 497432924 /nfs/dbraw/zinc/43/29/24/497432924.db2.gz URKJIEQLBSXXSE-UHFFFAOYSA-N 2 0 367.497 3.150 20 0 FGADRP C[NH+](C)CCc1ccc(C(=O)N(CC[NH+](C)C)Cc2ccsc2)cc1 ZINC000581083039 505906772 /nfs/dbraw/zinc/90/67/72/505906772.db2.gz VMYPLKAYXPBACJ-UHFFFAOYSA-N 2 0 359.539 3.056 20 0 FGADRP CC(C)(C)c1ccc(C[N@@H+]2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000261758317 497445971 /nfs/dbraw/zinc/44/59/71/497445971.db2.gz FQUKMYIFAUHTDG-QUCCMNQESA-N 2 0 357.542 3.064 20 0 FGADRP [NH3+][C@@H]1CN(CCC(=O)Nc2ccc(Cl)cc2F)C[C@H]1c1ccccc1 ZINC000261771629 497448302 /nfs/dbraw/zinc/44/83/02/497448302.db2.gz OVINFRBPUVJSCL-DOTOQJQBSA-N 2 0 361.848 3.234 20 0 FGADRP CC(C)[C@H](CNC(=O)C[N@@H+]1CC[C@H](C)[C@@H](n2ccnc2)C1)c1ccccc1 ZINC000245579420 497464224 /nfs/dbraw/zinc/46/42/24/497464224.db2.gz IKAAKSAMMZGFKU-JBACZVJFSA-N 2 0 368.525 3.322 20 0 FGADRP C[NH+](C)CCOc1ccc(CC[NH2+][C@@H](c2ncc[nH]2)c2ccccc2)cc1 ZINC000275941478 497466898 /nfs/dbraw/zinc/46/68/98/497466898.db2.gz ZDNZAEPXLUYRCF-OAQYLSRUSA-N 2 0 364.493 3.272 20 0 FGADRP C[C@@]1(C[NH3+])CC[N@H+](CCC(=O)N[C@H](c2cccs2)c2ccccc2)C1 ZINC000261896481 497471057 /nfs/dbraw/zinc/47/10/57/497471057.db2.gz WAUHOHJTQXLOCT-PMACEKPBSA-N 2 0 357.523 3.015 20 0 FGADRP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000190426796 497475281 /nfs/dbraw/zinc/47/52/81/497475281.db2.gz QAOZMJFWGJJUHZ-LEWJYISDSA-N 2 0 369.553 3.231 20 0 FGADRP C[N@@H+]1CC[C@@H](NC(=O)NCCCCC[NH+]2CCCCC2)[C@H]1c1ccccc1 ZINC000245658949 497491462 /nfs/dbraw/zinc/49/14/62/497491462.db2.gz PDFBQKLNRGBOAU-NHCUHLMSSA-N 2 0 372.557 3.387 20 0 FGADRP CC[NH+](CC)Cc1ccccc1CNC(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000245666732 497493746 /nfs/dbraw/zinc/49/37/46/497493746.db2.gz DWXIFLWGKHIVEZ-PXNSSMCTSA-N 2 0 360.546 3.153 20 0 FGADRP CC(C)C(=O)N1CCC([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC000245714766 497513998 /nfs/dbraw/zinc/51/39/98/497513998.db2.gz NTWYLAXLAOPVTC-KOUNCHBCSA-N 2 0 369.553 3.419 20 0 FGADRP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccccc2N(C)C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000245734291 497520571 /nfs/dbraw/zinc/52/05/71/497520571.db2.gz KIIIBAPRBPCSND-UGKGYDQZSA-N 3 0 372.601 3.379 20 0 FGADRP C[C@H](c1ccc(F)c(Cl)c1)[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000262181320 497521803 /nfs/dbraw/zinc/52/18/03/497521803.db2.gz IRSUSEBMMQVUNX-GLJUWKHASA-N 2 0 367.896 3.120 20 0 FGADRP OCC[NH+]1CCC(C[NH2+][C@@H](c2ccc(Br)s2)C2CC2)CC1 ZINC000190602343 497540873 /nfs/dbraw/zinc/54/08/73/497540873.db2.gz VSEIPQNFFRNACJ-MRXNPFEDSA-N 2 0 373.360 3.256 20 0 FGADRP C[C@H]1C[C@@H](C(=O)NCc2ccccc2-c2ccc(C[NH+](C)C)cc2)CC[NH2+]1 ZINC000262355278 497543820 /nfs/dbraw/zinc/54/38/20/497543820.db2.gz HXOKPFPYFMTBJS-PXNSSMCTSA-N 2 0 365.521 3.420 20 0 FGADRP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000272146174 497546838 /nfs/dbraw/zinc/54/68/38/497546838.db2.gz LASGBJLCWSMTSE-SFHVURJKSA-N 2 0 372.557 3.023 20 0 FGADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000245882167 497558982 /nfs/dbraw/zinc/55/89/82/497558982.db2.gz KRCSEBJTVGQTNN-QHAWAJNXSA-N 2 0 370.541 3.092 20 0 FGADRP C[C@H]([NH2+]C(C)(C)CNC(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21)c1ccccc1 ZINC000245885003 497559881 /nfs/dbraw/zinc/55/98/81/497559881.db2.gz BNKZYXLSHOGREO-DFQSSKMNSA-N 2 0 372.557 3.242 20 0 FGADRP C[C@@H]([NH2+]C1(CNC(=O)[C@H]([NH3+])Cc2ccccc2)CCCC1)c1ccccc1 ZINC000262614814 497583989 /nfs/dbraw/zinc/58/39/89/497583989.db2.gz CLWKECBCNXJQNM-WIYYLYMNSA-N 2 0 365.521 3.336 20 0 FGADRP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000262629470 497587299 /nfs/dbraw/zinc/58/72/99/497587299.db2.gz DLWSUVZNWYFIJR-YSFYHYPLSA-N 2 0 369.553 3.278 20 0 FGADRP C[C@@H](NC(=O)c1ccc(C[NH+](C)C)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272300466 497589985 /nfs/dbraw/zinc/58/99/85/497589985.db2.gz PRNBJGDBXCQMQH-GCJKJVERSA-N 2 0 365.521 3.389 20 0 FGADRP C[C@H](CC(=O)N[C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C)[C@H]1CCC[NH2+]C1 ZINC000262646399 497590555 /nfs/dbraw/zinc/59/05/55/497590555.db2.gz ODNKTTXHCKDHEZ-BEARUUAKSA-N 2 0 371.569 3.285 20 0 FGADRP C[C@@]1(NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)CC[N@H+](Cc2ccccc2)C1 ZINC000581134811 505917455 /nfs/dbraw/zinc/91/74/55/505917455.db2.gz DBPFRHKBOBSABJ-JOCHJYFZSA-N 2 0 372.557 3.259 20 0 FGADRP CC[C@@H](C)[N@H+](C)CCNC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000246111128 497625169 /nfs/dbraw/zinc/62/51/69/497625169.db2.gz JQVGMWZEYOXJAM-MOPGFXCFSA-N 2 0 352.567 3.014 20 0 FGADRP C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)[C@](C)([NH3+])c2ccccc2)CC1 ZINC000262817813 497628670 /nfs/dbraw/zinc/62/86/70/497628670.db2.gz GLNUJYSOTDMSEB-HSZRJFAPSA-N 2 0 365.521 3.231 20 0 FGADRP C[C@@H](NC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)C(C)(C)C[NH+](C)C ZINC000246144245 497637697 /nfs/dbraw/zinc/63/76/97/497637697.db2.gz CCRDKECQMCLKQR-GGPKGHCWSA-N 2 0 374.573 3.315 20 0 FGADRP CCO[C@@H]1C[C@@H]([NH2+][C@@H](CN)c2ccc3ccccc3c2)C12CCOCC2 ZINC000578348894 505919899 /nfs/dbraw/zinc/91/98/99/505919899.db2.gz YVCPZUKGUFYQJA-PWRODBHTSA-N 2 0 354.494 3.403 20 0 FGADRP COC(=O)c1ccc(CN(C)[C@H]2CC[N@H+](C)C[C@H]2C)c(Br)c1 ZINC000575095724 505920183 /nfs/dbraw/zinc/92/01/83/505920183.db2.gz SAPGGJXWADXMBE-WBMJQRKESA-N 2 0 369.303 3.008 20 0 FGADRP CCN1CC[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H](O)CO[C@H](C)c1ccc(Cl)cc1 ZINC000246181607 497650578 /nfs/dbraw/zinc/65/05/78/497650578.db2.gz UCEXZQBDQKVSGQ-GEALJGNFSA-N 2 0 366.933 3.337 20 0 FGADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)C1 ZINC000246198611 497656760 /nfs/dbraw/zinc/65/67/60/497656760.db2.gz MVIBKDMQAMWPPV-TZIWHRDSSA-N 2 0 372.557 3.197 20 0 FGADRP CCC[N@H+](C)C[C@H]1CCN(CC(=O)NC[C@H](c2ccccc2)C(C)C)C1 ZINC000246222137 497666866 /nfs/dbraw/zinc/66/68/66/497666866.db2.gz PDEZOIGFJQAKLE-CTNGQTDRSA-N 2 0 359.558 3.206 20 0 FGADRP CCOC[C@@H]1CC[NH+](Cc2ccc(C[N@H+]3CC[C@@H](COCC)C3)cc2)C1 ZINC000246273886 497679644 /nfs/dbraw/zinc/67/96/44/497679644.db2.gz WFIDJMZUADDSGT-FGZHOGPDSA-N 2 0 360.542 3.403 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N(C)[C@H]1CC[N@H+](CC)C[C@H]1C)c1ccco1 ZINC000246369160 497709829 /nfs/dbraw/zinc/70/98/29/497709829.db2.gz HFDXRQWAJZELAB-FGTMMUONSA-N 2 0 364.534 3.034 20 0 FGADRP COc1ccc2c(c1)[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)CCC2 ZINC000272735383 497716238 /nfs/dbraw/zinc/71/62/38/497716238.db2.gz JQVDMSSUFPNJBS-REWPJTCUSA-N 2 0 366.505 3.429 20 0 FGADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)NCCCC[NH+]2CCC[C@@H](C)C2)C1 ZINC000246404624 497723501 /nfs/dbraw/zinc/72/35/01/497723501.db2.gz QICCZRLGASRNGR-WOJBJXKFSA-N 2 0 366.594 3.166 20 0 FGADRP COc1ccc(C[N@H+](CCCn2ccnc2)CCc2ccccn2)cc1 ZINC000280375395 497734301 /nfs/dbraw/zinc/73/43/01/497734301.db2.gz KSWSEJMRUOMBOF-UHFFFAOYSA-N 2 0 350.466 3.422 20 0 FGADRP CC[NH+](CC)CCN(Cc1cccs1)C(=O)CCC1CC[NH2+]CC1 ZINC000263219428 497735667 /nfs/dbraw/zinc/73/56/67/497735667.db2.gz LPOFOQJTEGGJTP-UHFFFAOYSA-N 2 0 351.560 3.198 20 0 FGADRP C[C@H](c1ccc(F)cc1)N(C)C(=O)CN1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000246448001 497737225 /nfs/dbraw/zinc/73/72/25/497737225.db2.gz DSJZQAPRPDCIRM-BLIXFSHQSA-N 2 0 373.516 3.294 20 0 FGADRP C[C@H](C(=O)Nc1ccc(F)c(F)c1)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000246461541 497742432 /nfs/dbraw/zinc/74/24/32/497742432.db2.gz FLVMBVJWBVJAJI-LPMFXHHGSA-N 2 0 363.452 3.241 20 0 FGADRP CC(C)N(CC[NH+](C)C)C(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000246516123 497760141 /nfs/dbraw/zinc/76/01/41/497760141.db2.gz INPMOQRTFKZCEW-FUHWJXTLSA-N 2 0 366.575 3.113 20 0 FGADRP CC(C)[NH+]1CCC([NH2+]C[C@H](CO)Cc2cccc(Br)c2)CC1 ZINC000277169706 497763543 /nfs/dbraw/zinc/76/35/43/497763543.db2.gz RUDXNSLLZWCIRI-MRXNPFEDSA-N 2 0 369.347 3.063 20 0 FGADRP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCN(c3cc(Cl)ccc3OC)C2)[C@@H](C)C1 ZINC000246890813 497818957 /nfs/dbraw/zinc/81/89/57/497818957.db2.gz DSLCRAKKAWISNO-UAGQMJEPSA-N 2 0 351.922 3.247 20 0 FGADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2ccc(S(=O)(=O)C3CCCC3)cc2)C1 ZINC000246943875 497821527 /nfs/dbraw/zinc/82/15/27/497821527.db2.gz HTKJYCXHNLXZDQ-IAGOWNOFSA-N 2 0 364.555 3.395 20 0 FGADRP C[NH+]1CCN(c2ccc(C[NH2+][C@H]3CCCc4nc(Cl)ccc43)cn2)CC1 ZINC000295839284 497826291 /nfs/dbraw/zinc/82/62/91/497826291.db2.gz FOBCVOGTLVESCA-KRWDZBQOSA-N 2 0 371.916 3.049 20 0 FGADRP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CCCNc4ccccc43)cn2)CC1 ZINC000572286393 505933692 /nfs/dbraw/zinc/93/36/92/505933692.db2.gz HPSXDUIAONMFTI-OAQYLSRUSA-N 2 0 365.525 3.260 20 0 FGADRP C[C@H](CCCC[NH3+])NC(=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000292058417 497859984 /nfs/dbraw/zinc/85/99/84/497859984.db2.gz JXAGBKOJJRCGTM-CRAIPNDOSA-N 2 0 371.447 3.075 20 0 FGADRP C[C@H]1C[C@H](C[NH3+])CN1C(=O)NCc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000581240133 505941066 /nfs/dbraw/zinc/94/10/66/505941066.db2.gz VBTZUQIGVNZVHW-ZWKOTPCHSA-N 2 0 372.557 3.330 20 0 FGADRP C[C@@H]([NH2+]CC1([NH3+])C2CC3CC(C2)CC1C3)c1ccccc1-n1ccnn1 ZINC000581245251 505942508 /nfs/dbraw/zinc/94/25/08/505942508.db2.gz IMBVVXNQINTCTM-QVVGYRBSSA-N 2 0 351.498 3.072 20 0 FGADRP C[NH2+]CCC1CCN(CC(=O)Nc2nc(-c3ccc(C)cc3)cs2)CC1 ZINC000569487369 505946535 /nfs/dbraw/zinc/94/65/35/505946535.db2.gz ZXSYHCRUXLNKKZ-UHFFFAOYSA-N 2 0 372.538 3.379 20 0 FGADRP C[C@@H]([NH2+]CCCN1CC[NH+](C)CC1)c1ccc(Oc2ccccc2)cn1 ZINC000296183120 497947286 /nfs/dbraw/zinc/94/72/86/497947286.db2.gz YFVSONREHCGNKO-GOSISDBHSA-N 2 0 354.498 3.162 20 0 FGADRP C[NH+](C/C=C/C[N@@H+](C)[C@@H]1[C@H]2CCO[C@H]2C1(C)C)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000364631952 498059762 /nfs/dbraw/zinc/05/97/62/498059762.db2.gz QCJBUMWYBXTERT-MVKWOJARSA-N 2 0 362.558 3.033 20 0 FGADRP COC(=O)c1ccc(C[N@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)nc1 ZINC000285372315 498066735 /nfs/dbraw/zinc/06/67/35/498066735.db2.gz CCVXEQIHPWEXQF-UHFFFAOYSA-N 2 0 368.481 3.002 20 0 FGADRP CC(C)(C)[NH+]1CCC(NC(=O)N[C@]2(C)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000581373772 505973643 /nfs/dbraw/zinc/97/36/43/505973643.db2.gz IXDRCUIEDLYURB-JOCHJYFZSA-N 2 0 372.557 3.213 20 0 FGADRP C[C@@H]1C[C@H]([NH2+]Cc2cccc(C(=O)NCC[NH+](C)C)c2)c2ccccc21 ZINC000289247758 498076769 /nfs/dbraw/zinc/07/67/69/498076769.db2.gz NFXKASMPJOTDRS-IERDGZPVSA-N 2 0 351.494 3.316 20 0 FGADRP C[NH+]1CCC(CC(=O)NC[C@H]2CCCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000292612605 498080375 /nfs/dbraw/zinc/08/03/75/498080375.db2.gz XMJQKJQHRHDGJN-OAQYLSRUSA-N 2 0 357.542 3.137 20 0 FGADRP COc1ccc2cc(C[NH+]3CCC(C[NH+]4CCN(C)CC4)CC3)ccc2c1 ZINC000289373957 498123968 /nfs/dbraw/zinc/12/39/68/498123968.db2.gz BOHQAUDVQLWQJY-UHFFFAOYSA-N 2 0 367.537 3.308 20 0 FGADRP CCC[N@@H+]1CC[C@H](C[NH2+]C[C@@H](O)COc2cc(Cl)ccc2Cl)C1 ZINC000569686284 505993994 /nfs/dbraw/zinc/99/39/94/505993994.db2.gz JNERRXKQMJFYOE-UKRRQHHQSA-N 2 0 361.313 3.055 20 0 FGADRP OC[C@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+][C@@H](c1cncc(F)c1)C1CC1 ZINC000281424322 498146065 /nfs/dbraw/zinc/14/60/65/498146065.db2.gz BXYQMXXQISXRQW-FGZHOGPDSA-N 2 0 369.484 3.418 20 0 FGADRP COc1ccc(OC(F)F)c(C[NH+]2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)c1 ZINC000575725468 505993529 /nfs/dbraw/zinc/99/35/29/505993529.db2.gz FQFAPYOCULFFTH-FUHWJXTLSA-N 2 0 370.440 3.015 20 0 FGADRP Cc1ncc(CN2CC[C@@H]([NH2+]CC(=O)Nc3cccc(C)c3)[C@H](C)C2)s1 ZINC000364899282 498198357 /nfs/dbraw/zinc/19/83/57/498198357.db2.gz XNBSOFOTVIDSLO-DNVCBOLYSA-N 2 0 372.538 3.199 20 0 FGADRP C[C@H](c1ccc(F)cc1)N1CC[C@H]([NH+]2CCC(c3ncc[nH]3)CC2)C1=O ZINC000292930874 498199390 /nfs/dbraw/zinc/19/93/90/498199390.db2.gz YZIXWSQUUZZWHS-KDOFPFPSSA-N 2 0 356.445 3.090 20 0 FGADRP CC[NH+](CC)CCOc1ccc(C(=O)N2CCCC[C@H]2[C@H]2CC[NH2+]C2)cc1 ZINC000572606549 506009685 /nfs/dbraw/zinc/00/96/85/506009685.db2.gz XBHVQXXEIFWSSY-FPOVZHCZSA-N 2 0 373.541 3.011 20 0 FGADRP O=C(NCCC[NH+]1CCCC1)C1CC[NH+](Cc2ccc3occc3c2)CC1 ZINC000289777406 498289276 /nfs/dbraw/zinc/28/92/76/498289276.db2.gz KXVCHHLRCCWPSC-UHFFFAOYSA-N 2 0 369.509 3.247 20 0 FGADRP C[NH+]1CCC(N2CCC([NH2+]Cc3cc(O)cc(C(F)(F)F)c3)CC2)CC1 ZINC000289804156 498300111 /nfs/dbraw/zinc/30/01/11/498300111.db2.gz IKZAIQHYEJMFEI-UHFFFAOYSA-N 2 0 371.447 3.059 20 0 FGADRP C[N@@H+]1CCC[C@@H](N2CC[NH+](CCCc3cccc4ccccc43)CC2)C1 ZINC000360960013 498327678 /nfs/dbraw/zinc/32/76/78/498327678.db2.gz OELVRYVWANPRMH-JOCHJYFZSA-N 2 0 351.538 3.484 20 0 FGADRP CSc1ccccc1C[C@@H](C)[NH2+]Cc1ccncc1OCC[NH+](C)C ZINC000581571121 506017433 /nfs/dbraw/zinc/01/74/33/506017433.db2.gz AHFIJMVUFCSZED-MRXNPFEDSA-N 2 0 359.539 3.465 20 0 FGADRP CCCc1cc(N2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)c2ccccc2[nH+]1 ZINC000301968392 498349021 /nfs/dbraw/zinc/34/90/21/498349021.db2.gz PKLHDJAUXJZHPQ-HXUWFJFHSA-N 2 0 366.509 3.106 20 0 FGADRP CC[NH+]1CCN(CCCC[NH2+][C@@H](COC)c2cccc(Cl)c2)CC1 ZINC000289925179 498355878 /nfs/dbraw/zinc/35/58/78/498355878.db2.gz VJJHMBKNWUAQSW-IBGZPJMESA-N 2 0 353.938 3.035 20 0 FGADRP Fc1ccc(-n2nc(C[N@@H+]3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)c3c2CCC3)cc1 ZINC000569811126 506021377 /nfs/dbraw/zinc/02/13/77/506021377.db2.gz LSLWCROXENFFBA-DLBZAZTESA-N 2 0 368.500 3.322 20 0 FGADRP c1ccc(COCCOCCC[NH2+]C2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000297343262 498413695 /nfs/dbraw/zinc/41/36/95/498413695.db2.gz DSOCKUKHGTVDSF-UHFFFAOYSA-N 2 0 369.509 3.264 20 0 FGADRP C[C@H](CC(=O)N1CCc2c1cccc2C[NH+]1CCCC1)C1CC[NH2+]CC1 ZINC000361710019 498421157 /nfs/dbraw/zinc/42/11/57/498421157.db2.gz BOEQPHDEUZTYGU-QGZVFWFLSA-N 2 0 355.526 3.197 20 0 FGADRP COCC[C@@]1(C(=O)Nc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)CC[NH2+]C1 ZINC000361717340 498423021 /nfs/dbraw/zinc/42/30/21/498423021.db2.gz DEVSWFMLZVSWAI-UWJYYQICSA-N 2 0 359.514 3.016 20 0 FGADRP C[C@H](CC(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1)C1CC[NH2+]CC1 ZINC000361717827 498423884 /nfs/dbraw/zinc/42/38/84/498423884.db2.gz ITPHAGZPJNCUSG-OXFYSEKESA-N 2 0 363.571 3.273 20 0 FGADRP C[C@H]([NH2+][C@H]1CC(=O)N(C2CCCCC2)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000581634127 506032415 /nfs/dbraw/zinc/03/24/15/506032415.db2.gz AMGOQHXWQLFTHG-JBACZVJFSA-N 2 0 369.553 3.420 20 0 FGADRP CC(=O)N1CCC[C@H](C[NH2+][C@@H]2CCN(Cc3ccccc3)C3(CC3)C2)C1 ZINC000578890943 506045696 /nfs/dbraw/zinc/04/56/96/506045696.db2.gz BWDKPFXJJFTMAO-NHCUHLMSSA-N 2 0 355.526 3.032 20 0 FGADRP C[NH+]1CCN(C[C@H]2CCC[N@H+](Cc3ccc(C(F)(F)F)cc3)C2)CC1 ZINC000362420328 498515222 /nfs/dbraw/zinc/51/52/22/498515222.db2.gz WTTHSICGYCRYIO-QGZVFWFLSA-N 2 0 355.448 3.165 20 0 FGADRP C[C@@H](c1ccc(F)cc1)N1CC[C@@H]([N@@H+]2CC[C@@H](C)[C@H](n3ccnc3)C2)C1=O ZINC000293919196 498533075 /nfs/dbraw/zinc/53/30/75/498533075.db2.gz XTHAIOWIDPMOPP-WOUAJJJCSA-N 2 0 370.472 3.267 20 0 FGADRP Cc1ccccc1OC[C@@H](O)C[NH2+]C1CCC([NH+]2CCC(C)CC2)CC1 ZINC000569961953 506056997 /nfs/dbraw/zinc/05/69/97/506056997.db2.gz LMTJGKLCJZADDZ-CBNMVNINSA-N 2 0 360.542 3.367 20 0 FGADRP CCC(CC)[C@H]([NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1)c1ccccc1 ZINC000581743189 506058237 /nfs/dbraw/zinc/05/82/37/506058237.db2.gz JIOTUQGNKAAFKD-QFIPXVFZSA-N 2 0 357.542 3.497 20 0 FGADRP OC[C@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+][C@@H]1CCCC12CCOCC2 ZINC000282673160 498606340 /nfs/dbraw/zinc/60/63/40/498606340.db2.gz JFWXOFMRVFFVBS-NHCUHLMSSA-N 2 0 358.526 3.082 20 0 FGADRP O=c1ccccn1C[C@@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1ccccc1 ZINC000298012761 498637655 /nfs/dbraw/zinc/63/76/55/498637655.db2.gz CMGSLYSCSQBIBP-JOCHJYFZSA-N 2 0 374.488 3.243 20 0 FGADRP C[NH+](C)[C@H](CNC(=O)N1CC[NH+](CCC(C)(C)C)CC1)c1ccccc1 ZINC000303005128 498639719 /nfs/dbraw/zinc/63/97/19/498639719.db2.gz VNFSEELTJVIQRO-LJQANCHMSA-N 2 0 360.546 3.053 20 0 FGADRP C[C@@H]1CCC[C@](CNC(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)([NH+](C)C)C1 ZINC000303248905 498657611 /nfs/dbraw/zinc/65/76/11/498657611.db2.gz BLUMNOHIELNNHS-SBHAEUEKSA-N 2 0 364.578 3.157 20 0 FGADRP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)C1 ZINC000303316229 498664619 /nfs/dbraw/zinc/66/46/19/498664619.db2.gz SHYOQBQEFHFOOS-RBUKOAKNSA-N 2 0 364.578 3.157 20 0 FGADRP CCOCCC1(C[NH2+][C@@H]2CC[N@H+](C[C@@H]3CCCO3)C[C@H]2C)CCCC1 ZINC000363158011 498679189 /nfs/dbraw/zinc/67/91/89/498679189.db2.gz RHIIINRKGCXFRI-HSALFYBXSA-N 2 0 352.563 3.452 20 0 FGADRP O=C1[C@@H]([NH2+]C2CCN(c3cc[nH+]cc3)CC2)CCN1c1ccccc1Cl ZINC000298295647 498724269 /nfs/dbraw/zinc/72/42/69/498724269.db2.gz HJYNIICQRKOYNR-SFHVURJKSA-N 2 0 370.884 3.099 20 0 FGADRP COc1cc(CNCCC[N@H+](C)C(C)C)ccc1OCc1ccncc1 ZINC000298394620 498755563 /nfs/dbraw/zinc/75/55/63/498755563.db2.gz HPROPIJLMQRQCP-UHFFFAOYSA-N 2 0 357.498 3.489 20 0 FGADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H](C)c1ccc(N2CCCOC2=O)cc1 ZINC000294648631 498762178 /nfs/dbraw/zinc/76/21/78/498762178.db2.gz GQIRVWIHKZVQRL-QFBILLFUSA-N 2 0 363.502 3.041 20 0 FGADRP COC(=O)c1ccc(C[N@@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000312851488 498763756 /nfs/dbraw/zinc/76/37/56/498763756.db2.gz GHHKCDAJINKJOQ-YADHBBJMSA-N 2 0 364.489 3.427 20 0 FGADRP CC(C)C[N@@H+]1CC[C@H](C[NH2+]C[C@@H](O)CO[C@@H]2CCCc3ccccc32)C1 ZINC000576149331 506088619 /nfs/dbraw/zinc/08/86/19/506088619.db2.gz SZFMRPBTZBAQQI-SYYKKAFVSA-N 2 0 360.542 3.009 20 0 FGADRP C[C@@H]1C[C@@H](NC(=O)[C@H]2CCn3c(cnc3C3CCCCC3)C2)C[N@@H+]1C1CC1 ZINC000332827670 498805961 /nfs/dbraw/zinc/80/59/61/498805961.db2.gz LZVCWQWDFGYTSJ-BPQIPLTHSA-N 2 0 370.541 3.235 20 0 FGADRP CC(C)(C)OC(=O)N1CC[NH+](C2CCC([NH2+]Cc3ccccn3)CC2)CC1 ZINC000291142988 498813806 /nfs/dbraw/zinc/81/38/06/498813806.db2.gz YHUMHSUZKWSQBX-UHFFFAOYSA-N 2 0 374.529 3.035 20 0 FGADRP C[NH+](C)CCCOc1cnccc1C[NH2+][C@H]1CCCc2c(O)cccc21 ZINC000291160915 498823134 /nfs/dbraw/zinc/82/31/34/498823134.db2.gz JAUDONORWZEWFU-IBGZPJMESA-N 2 0 355.482 3.285 20 0 FGADRP C[C@@H]1C[NH+](Cc2ccc(C[NH2+][C@H]3CCOC4(CCC4)C3)cc2)C[C@@H](C)O1 ZINC000294843680 498823275 /nfs/dbraw/zinc/82/32/75/498823275.db2.gz UHPVNRXGIBSPNQ-OPYAIIAOSA-N 2 0 358.526 3.487 20 0 FGADRP CC(C)(C)OC(=O)NC[C@@H]1CCC[C@H]1[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000366279097 498855174 /nfs/dbraw/zinc/85/51/74/498855174.db2.gz GHVQIXKYOLAFBD-FCCDEINASA-N 2 0 351.535 3.286 20 0 FGADRP O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)N1CCC([NH2+]C2CCCC2)CC1 ZINC000366333493 498877936 /nfs/dbraw/zinc/87/79/36/498877936.db2.gz NJLNIGNXCYWZJG-IBGZPJMESA-N 2 0 374.529 3.123 20 0 FGADRP c1ccc(C[N@@H+]2CCCO[C@H](CN(Cc3ccncc3)C3CC3)C2)cc1 ZINC000573113102 506121703 /nfs/dbraw/zinc/12/17/03/506121703.db2.gz DZUCNHFOMHCFPB-QFIPXVFZSA-N 2 0 351.494 3.337 20 0 FGADRP C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@H]1[NH2+]CCc1c[nH]c2ccc(F)cc12 ZINC000363786355 498992641 /nfs/dbraw/zinc/99/26/41/498992641.db2.gz FWLNRSJVZWBUAA-XFQXTVEOSA-N 2 0 359.489 3.329 20 0 FGADRP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+]C[C@](C)(O)c1ccccc1Cl ZINC000363794961 498996451 /nfs/dbraw/zinc/99/64/51/498996451.db2.gz FHIBEAMGVUETBG-GJJHYRHESA-N 2 0 366.933 3.027 20 0 FGADRP C[N@@H+](Cc1ccc(-n2cncn2)cc1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000363876652 499036452 /nfs/dbraw/zinc/03/64/52/499036452.db2.gz RQEBLXGSFVHSIE-UHFFFAOYSA-N 2 0 362.481 3.011 20 0 FGADRP COc1cc(CNC[C@H](C)C[NH+](C)C)ccc1OCc1c(C)noc1C ZINC000291701702 499040087 /nfs/dbraw/zinc/04/00/87/499040087.db2.gz KGOFODSAOYUVTH-AWEZNQCLSA-N 2 0 361.486 3.166 20 0 FGADRP Cc1cc(C)cc(NC(=[NH2+])NCCC2CC[NH+](C3CCN(C)CC3)CC2)c1 ZINC000364035848 499094805 /nfs/dbraw/zinc/09/48/05/499094805.db2.gz IAFNNFTVGVDDFL-UHFFFAOYSA-N 2 0 371.573 3.436 20 0 FGADRP CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)C(=O)NCCC1(C)CC1 ZINC000370034247 499169193 /nfs/dbraw/zinc/16/91/93/499169193.db2.gz XKGYJFUYMUDHAA-UHFFFAOYSA-N 2 0 364.578 3.014 20 0 FGADRP CCn1ccnc1CN(C(=O)C(C)=C1CCCC1)[C@@H]1CC12CC[NH2+]CC2 ZINC000370161340 499190123 /nfs/dbraw/zinc/19/01/23/499190123.db2.gz LDWHNAWRRNMVQA-GOSISDBHSA-N 2 0 356.514 3.264 20 0 FGADRP COc1ccc2c(c1)CCC[C@H]2[NH+]1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC000367675627 499224028 /nfs/dbraw/zinc/22/40/28/499224028.db2.gz YVJABWVHRKRLDA-JOCHJYFZSA-N 2 0 357.542 3.032 20 0 FGADRP CCN1CC[C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000367792683 499233984 /nfs/dbraw/zinc/23/39/84/499233984.db2.gz ORQXJMYFFRRZCL-HCCHORAYSA-N 2 0 367.459 3.456 20 0 FGADRP COC[C@H](Cc1ccccc1)[NH2+]CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000370661455 499241275 /nfs/dbraw/zinc/24/12/75/499241275.db2.gz GCBRUVVVXNPQAS-QFIPXVFZSA-N 2 0 373.585 3.030 20 0 FGADRP CN(C)C(=O)[C@@H](c1ccccc1)[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000367885829 499241893 /nfs/dbraw/zinc/24/18/93/499241893.db2.gz MWUHXZUMCIBYAM-OAQYLSRUSA-N 2 0 366.509 3.059 20 0 FGADRP OCC[C@H]([NH2+]C1CCN(Cc2cccnc2)CC1)c1ccc(Cl)cc1 ZINC000367903741 499243693 /nfs/dbraw/zinc/24/36/93/499243693.db2.gz NGQNQTLPYWOKQB-FQEVSTJZSA-N 2 0 359.901 3.413 20 0 FGADRP Cc1nccn1CCCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C2 ZINC000370712619 499246958 /nfs/dbraw/zinc/24/69/58/499246958.db2.gz WYDUTEGCNACYMH-BCDXTJNWSA-N 2 0 362.518 3.492 20 0 FGADRP C[NH+]1CCN(CCC[NH2+][C@H]2CCCOc3c4ccccc4ccc32)CC1 ZINC000370754059 499251705 /nfs/dbraw/zinc/25/17/05/499251705.db2.gz OFVYLLWGOAFPQX-NRFANRHFSA-N 2 0 353.510 3.281 20 0 FGADRP C[N@@H+]1CCC[C@@H](CNC(=O)CC(C)(C)[NH3+])[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000370773613 499253179 /nfs/dbraw/zinc/25/31/79/499253179.db2.gz OXGXKOXCHMHSQK-WMLDXEAASA-N 2 0 371.447 3.332 20 0 FGADRP Cn1cc2c(n1)CCC[C@@H]2[NH2+][C@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21 ZINC000368184739 499272373 /nfs/dbraw/zinc/27/23/73/499272373.db2.gz LLDMRHZKILGETD-ICSRJNTNSA-N 2 0 366.509 3.375 20 0 FGADRP C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000368297318 499283071 /nfs/dbraw/zinc/28/30/71/499283071.db2.gz WJPRBGZNYOJMQK-TVFCKZIOSA-N 2 0 351.535 3.238 20 0 FGADRP CCC[NH+]1CCN(C2CC[NH+](CCCCC3CCOCC3)CC2)CC1 ZINC000368540312 499305620 /nfs/dbraw/zinc/30/56/20/499305620.db2.gz SLRKCHXIFJSMTP-UHFFFAOYSA-N 2 0 351.579 3.075 20 0 FGADRP Cc1cc(C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)c2ccccc2n1 ZINC000371304251 499308105 /nfs/dbraw/zinc/30/81/05/499308105.db2.gz SDTMHZXYOTUJSG-VGOFRKELSA-N 2 0 352.526 3.001 20 0 FGADRP CC(C)Cc1ncc(C[NH+]2CCC(N3CC[NH+](C(C)C)CC3)CC2)s1 ZINC000371337775 499312461 /nfs/dbraw/zinc/31/24/61/499312461.db2.gz WFFGKIUBLVGZPQ-UHFFFAOYSA-N 2 0 364.603 3.332 20 0 FGADRP CC(C)c1nc2c([nH]1)C[C@H](C(=O)N[C@H](C)[C@H](c1ccccc1)[NH+](C)C)CC2 ZINC000368738727 499326847 /nfs/dbraw/zinc/32/68/47/499326847.db2.gz BRTFWIUNKKHKBJ-WRWLIDTKSA-N 2 0 368.525 3.446 20 0 FGADRP CCC[NH+](CCC)CCCC(=O)N(C)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000368743522 499327289 /nfs/dbraw/zinc/32/72/89/499327289.db2.gz UQKMALLGLPNBCR-UNMCSNQZSA-N 2 0 374.573 3.435 20 0 FGADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2Cc1cccc(-c2cccnc2)c1 ZINC000371468358 499331155 /nfs/dbraw/zinc/33/11/55/499331155.db2.gz APSGGKWMDFEZIF-YPAWHYETSA-N 2 0 351.494 3.432 20 0 FGADRP Cc1ccc2cc(C[N@@H+]3CC[C@@H](N4CC[NH+](C)CC4)[C@H](C)C3)ccc2n1 ZINC000368930386 499347784 /nfs/dbraw/zinc/34/77/84/499347784.db2.gz KYGNWDDUXVTNDQ-VGOFRKELSA-N 2 0 352.526 3.001 20 0 FGADRP Cn1cc(C[NH2+]C[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)c(-c2cccnc2)n1 ZINC000371722119 499358787 /nfs/dbraw/zinc/35/87/87/499358787.db2.gz CSOQWAJVXJQZFL-KNQAVFIVSA-N 2 0 361.493 3.265 20 0 FGADRP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+]CC2CC[NH+](CCN(C)C)CC2)C1 ZINC000369194354 499376076 /nfs/dbraw/zinc/37/60/76/499376076.db2.gz OZEHHSKOXHZUDU-RTWAWAEBSA-N 2 0 358.574 3.279 20 0 FGADRP CCOc1ccccc1C(=O)N1CCC([NH2+]C2CC[NH+](C(C)C)CC2)CC1 ZINC000371979045 499386346 /nfs/dbraw/zinc/38/63/46/499386346.db2.gz KFRHVJDYLBCIHJ-UHFFFAOYSA-N 2 0 373.541 3.152 20 0 FGADRP O=C(c1ccc(C[NH+]2CCCC2)cc1)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000372190511 499407198 /nfs/dbraw/zinc/40/71/98/499407198.db2.gz BNNWJBUESZYHAT-UNMCSNQZSA-N 2 0 367.537 3.371 20 0 FGADRP Cc1cc2ncn(C[C@H](O)C[N@H+]3CC=C(c4cccnc4)CC3)c2cc1C ZINC000369491539 499408515 /nfs/dbraw/zinc/40/85/15/499408515.db2.gz FWAGYEDBNCSEEP-HXUWFJFHSA-N 2 0 362.477 3.198 20 0 FGADRP Cc1coc2ccc(NC(=O)N3CCN(C4CC[NH+](C)CC4)[C@@H](C)C3)cc12 ZINC000372282511 499416261 /nfs/dbraw/zinc/41/62/61/499416261.db2.gz NRXMZQYVFGHNTJ-INIZCTEOSA-N 2 0 370.497 3.373 20 0 FGADRP CC[NH+](CC)CCOc1ccc(NC(=O)N2CCC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000369780620 499442711 /nfs/dbraw/zinc/44/27/11/499442711.db2.gz SSRDTHWFNIXGKS-IBGZPJMESA-N 2 0 374.529 3.109 20 0 FGADRP COC(=O)c1ccc(CN[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)o1 ZINC000388981164 499551769 /nfs/dbraw/zinc/55/17/69/499551769.db2.gz QTLAEINZRDBOKS-YTQUADARSA-N 2 0 354.450 3.066 20 0 FGADRP C[C@@H](NCC(=O)Nc1cccc(F)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000388839748 499552005 /nfs/dbraw/zinc/55/20/05/499552005.db2.gz XXZVYVGUMSWMGL-AEFFLSMTSA-N 2 0 355.457 3.264 20 0 FGADRP COc1ccccc1NC(=O)CN[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000397973518 499565389 /nfs/dbraw/zinc/56/53/89/499565389.db2.gz JOBSXHNRTDCCQI-IEBWSBKVSA-N 2 0 367.493 3.134 20 0 FGADRP CC(C)[NH+]1CCN([C@H]2CCN(Cc3cccc(C(F)(F)F)c3)C2)CC1 ZINC000375901596 499566669 /nfs/dbraw/zinc/56/66/69/499566669.db2.gz CDCZVZOIAPGVTL-SFHVURJKSA-N 2 0 355.448 3.306 20 0 FGADRP O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)N1CCC(c2c[nH]cn2)CC1 ZINC000376191294 499590061 /nfs/dbraw/zinc/59/00/61/499590061.db2.gz NNTKAHYTHVEKRT-FQEVSTJZSA-N 2 0 367.497 3.136 20 0 FGADRP C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000376696718 499629893 /nfs/dbraw/zinc/62/98/93/499629893.db2.gz PYUIMCJPCVQXFW-PXNSSMCTSA-N 2 0 362.562 3.052 20 0 FGADRP CC(C)(C)n1cc(C[NH2+]CC2CC[NH+](CCc3ccccc3)CC2)nn1 ZINC000377025678 499654976 /nfs/dbraw/zinc/65/49/76/499654976.db2.gz UFQXWKFZIZFBCU-UHFFFAOYSA-N 2 0 355.530 3.077 20 0 FGADRP CC[NH+](CC)CCCNC(=O)NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000410371188 499658281 /nfs/dbraw/zinc/65/82/81/499658281.db2.gz SLFDBERWCSLWGW-IBGZPJMESA-N 2 0 374.573 3.450 20 0 FGADRP NC(=O)c1ccc(C[NH+]2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000377200303 499670355 /nfs/dbraw/zinc/67/03/55/499670355.db2.gz XSMFMOCRJHTCBQ-UHFFFAOYSA-N 2 0 363.505 3.274 20 0 FGADRP Cc1ncc(CN2CC[C@H]([NH2+][C@@H]3[C@H]4CCO[C@H]4C34CCC4)[C@@H](C)C2)s1 ZINC000377283565 499676595 /nfs/dbraw/zinc/67/65/95/499676595.db2.gz ROIGRMNELBVFRM-ZNLIYNOOSA-N 2 0 361.555 3.209 20 0 FGADRP CC[NH+]1CCC(NC(=O)C[NH2+][C@@H](c2ccc(Cl)cc2)C(C)C)CC1 ZINC000411145061 499702603 /nfs/dbraw/zinc/70/26/03/499702603.db2.gz QZPHRKXRGSLYLW-LJQANCHMSA-N 2 0 351.922 3.227 20 0 FGADRP COc1cc(C[NH2+]C[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)cc(OC)c1O ZINC000377617288 499710853 /nfs/dbraw/zinc/71/08/53/499710853.db2.gz AJNNIDHAXVMRSC-PXNSSMCTSA-N 2 0 356.466 3.192 20 0 FGADRP CN(Cc1cnc(C(C)(C)C)s1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000377634821 499713395 /nfs/dbraw/zinc/71/33/95/499713395.db2.gz YUFKHYREGQCGBG-INIZCTEOSA-N 2 0 350.576 3.041 20 0 FGADRP O=C(Nc1ccc(C[NH+]2CCCC2)cc1)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000411270224 499719621 /nfs/dbraw/zinc/71/96/21/499719621.db2.gz PBNKPNCGGUAPER-HXUWFJFHSA-N 2 0 373.566 3.438 20 0 FGADRP COCCOCc1ccc(C[N@H+](C)C2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000377690936 499720614 /nfs/dbraw/zinc/72/06/14/499720614.db2.gz HKBVWTIODOJBSV-UHFFFAOYSA-N 2 0 369.509 3.345 20 0 FGADRP OCC1([NH2+]Cc2cccc(C[NH+]3CCCCC3)c2)Cc2ccccc2C1 ZINC000411278125 499720693 /nfs/dbraw/zinc/72/06/93/499720693.db2.gz JOKOOCSOURXHNI-UHFFFAOYSA-N 2 0 350.506 3.292 20 0 FGADRP COc1ccc([C@H](C)C[NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)cc1 ZINC000377714756 499724223 /nfs/dbraw/zinc/72/42/23/499724223.db2.gz IUCIJWNOMXPOST-OKCRPCIYSA-N 2 0 357.542 3.042 20 0 FGADRP COc1cc(C[NH2+]C[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)cc(OC)c1OC ZINC000377763204 499730157 /nfs/dbraw/zinc/73/01/57/499730157.db2.gz RDAUZXHXSMCJBN-NQIIRXRSSA-N 2 0 370.493 3.495 20 0 FGADRP CCc1nc(CN(CC)C2CCN(c3cc(C)nc(C(C)C)n3)CC2)no1 ZINC000377788751 499733517 /nfs/dbraw/zinc/73/35/17/499733517.db2.gz IGRFKWUMFKDPJV-UHFFFAOYSA-N 2 0 372.517 3.345 20 0 FGADRP O=C(CN1CCC(c2c[nH]cn2)CC1)Nc1ccc(C(F)(F)F)cc1 ZINC000378056328 499756591 /nfs/dbraw/zinc/75/65/91/499756591.db2.gz IJGQKQSSLHMARX-UHFFFAOYSA-N 2 0 352.360 3.247 20 0 FGADRP CC(C)[NH+]1CCC(NC(=O)C[NH2+][C@@H]2CCCC[C@@H]2c2ccccc2)CC1 ZINC000411561309 499763423 /nfs/dbraw/zinc/76/34/23/499763423.db2.gz QJSGDVCYEUQHIC-NHCUHLMSSA-N 2 0 357.542 3.291 20 0 FGADRP c1cncc(COc2ccc(C[N@@H+]3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)cc2)c1 ZINC000570396368 506158367 /nfs/dbraw/zinc/15/83/67/506158367.db2.gz JIZWEYVYVXWCBY-NHCUHLMSSA-N 2 0 351.494 3.482 20 0 FGADRP CC[C@@H]([NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1)c1ccc(Cl)s1 ZINC000414180484 499766275 /nfs/dbraw/zinc/76/62/75/499766275.db2.gz BGHBFCUTVXUCFB-OAHLLOKOSA-N 2 0 371.978 3.239 20 0 FGADRP CC(C)[C@@H](CCc1ccccc1)[NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000414182374 499766708 /nfs/dbraw/zinc/76/67/08/499766708.db2.gz DEFCBRNVGKLVFI-JOCHJYFZSA-N 2 0 373.585 3.030 20 0 FGADRP C[C@@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)c1ccc(OCc2nccn2C)cc1 ZINC000414189748 499767306 /nfs/dbraw/zinc/76/73/06/499767306.db2.gz RHKSWWOBDGIMEG-MSOLQXFVSA-N 2 0 356.514 3.382 20 0 FGADRP Cc1ccccc1[C@H](CC(C)C)[NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000414193371 499767414 /nfs/dbraw/zinc/76/74/14/499767414.db2.gz MPSNGIMKCXTLPI-QFIPXVFZSA-N 2 0 373.585 3.468 20 0 FGADRP CC(CC[NH+]1CCC[C@H]([NH+](C)C)CC1)CC[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000411638568 499772000 /nfs/dbraw/zinc/77/20/00/499772000.db2.gz RZOSBRBEYAXBRI-VXKWHMMOSA-N 4 0 366.638 3.235 20 0 FGADRP CN(C)c1ncc(C[NH2+]Cc2ccc(C[NH+]3CCCCCC3)cc2)n1C ZINC000414296288 499775003 /nfs/dbraw/zinc/77/50/03/499775003.db2.gz GVCVZOPXYHMFNL-UHFFFAOYSA-N 2 0 355.530 3.152 20 0 FGADRP CCC[C@@H]([NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1)C1CCC1 ZINC000414343531 499779336 /nfs/dbraw/zinc/77/93/36/499779336.db2.gz QLFNVLIUKCDIHJ-OAQYLSRUSA-N 2 0 357.542 3.442 20 0 FGADRP Cc1cc(C[NH2+]CCc2ccc(OCC[NH+]3C[C@@H](C)[C@H](C)C3)cc2)nn1C ZINC000414361526 499780769 /nfs/dbraw/zinc/78/07/69/499780769.db2.gz CPFJCFRGPICAPP-QZTJIDSGSA-N 2 0 370.541 3.027 20 0 FGADRP CCOc1ccc(C[NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)cc1F ZINC000414525015 499802824 /nfs/dbraw/zinc/80/28/24/499802824.db2.gz LOUFRRCBFWIZFO-UHFFFAOYSA-N 2 0 372.484 3.341 20 0 FGADRP C[C@@H]1CCC[C@H](C[NH2+]Cc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)C1 ZINC000414556172 499808303 /nfs/dbraw/zinc/80/83/03/499808303.db2.gz NTQHMINZIRIMFN-XLIONFOSSA-N 2 0 357.542 3.300 20 0 FGADRP CC[NH+]1CCC(NC(=O)C[N@H+](C)[C@H]2CCCC[C@@H]2c2ccccc2)CC1 ZINC000411997462 499811407 /nfs/dbraw/zinc/81/14/07/499811407.db2.gz IAMLXJHOLZDUSK-RTWAWAEBSA-N 2 0 357.542 3.245 20 0 FGADRP O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)c1cccc(C[NH+]2CCCCC2)c1 ZINC000412039167 499815932 /nfs/dbraw/zinc/81/59/32/499815932.db2.gz PSMIXSWFBIWWRI-HXUWFJFHSA-N 2 0 355.526 3.419 20 0 FGADRP CCC(CC)([NH2+]C[C@H]1CCCN(C(=O)C[NH3+])C1)c1ccc(Cl)cc1 ZINC000414704805 499821411 /nfs/dbraw/zinc/82/14/11/499821411.db2.gz JRFFYEBTEVWCON-OAHLLOKOSA-N 2 0 351.922 3.142 20 0 FGADRP [NH3+]CC(=O)N1CCC[C@H](C[N@@H+]2CCCCC[C@H]2c2ccc(Cl)cc2)C1 ZINC000414706105 499821455 /nfs/dbraw/zinc/82/14/55/499821455.db2.gz OLAAOGFVUVIEPW-APWZRJJASA-N 2 0 363.933 3.454 20 0 FGADRP [NH3+]CC(=O)N1CCC[C@H](C[N@H+](Cc2ccccc2)Cc2ccccc2F)C1 ZINC000414709022 499821769 /nfs/dbraw/zinc/82/17/69/499821769.db2.gz QUNAEMGOFFTROX-LJQANCHMSA-N 2 0 369.484 3.025 20 0 FGADRP CCN(Cc1cc(Br)cc2c1OCC2)[C@H]1CCC[NH2+]CC1 ZINC000414718867 499822467 /nfs/dbraw/zinc/82/24/67/499822467.db2.gz SVEPAHVMTFPZMU-INIZCTEOSA-N 2 0 353.304 3.348 20 0 FGADRP C[C@@H]1C[C@@H](C[NH+]2CCC(C(=O)Nc3cc(Cl)ccc3O)CC2)CC[NH2+]1 ZINC000414762657 499827725 /nfs/dbraw/zinc/82/77/25/499827725.db2.gz WJWFTGBNFGFXCH-KGLIPLIRSA-N 2 0 365.905 3.084 20 0 FGADRP CC[NH+](CC)CCOc1ccccc1NC(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000414784691 499831183 /nfs/dbraw/zinc/83/11/83/499831183.db2.gz ITLMHVRQGXKATR-IAGOWNOFSA-N 2 0 362.518 3.046 20 0 FGADRP COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000414795269 499832116 /nfs/dbraw/zinc/83/21/16/499832116.db2.gz GKOSYEVXFJPUOL-KCQAQPDRSA-N 2 0 353.894 3.173 20 0 FGADRP C[C@@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[NH2+]CC(C)(C)[NH3+] ZINC000414798155 499832615 /nfs/dbraw/zinc/83/26/15/499832615.db2.gz FFFJNYBIZMEMBC-VIFPVBQESA-N 2 0 351.800 3.403 20 0 FGADRP C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]CC1([NH3+])CCCCC1 ZINC000414834448 499835779 /nfs/dbraw/zinc/83/57/79/499835779.db2.gz BYHIAYWCUJDPGL-OAHLLOKOSA-N 2 0 351.922 3.328 20 0 FGADRP C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000414834820 499835794 /nfs/dbraw/zinc/83/57/94/499835794.db2.gz HVOSIBGLRZYRIY-ZIAGYGMSSA-N 2 0 368.319 3.146 20 0 FGADRP c1c(C[NH2+]CC[C@@H]2CC[NH2+]C2)c(-c2cccnc2)nn1Cc1ccccc1 ZINC000414835264 499835847 /nfs/dbraw/zinc/83/58/47/499835847.db2.gz RIXFFVUOPFHMQE-SFHVURJKSA-N 2 0 361.493 3.083 20 0 FGADRP COc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000414842483 499836750 /nfs/dbraw/zinc/83/67/50/499836750.db2.gz OXDGDRSCGYIBPP-KGLIPLIRSA-N 2 0 353.894 3.045 20 0 FGADRP C[C@H]1C[C@@H](NCCC[NH2+]Cc2cccnc2)CC[N@@H+]1Cc1ccccc1 ZINC000414882924 499840921 /nfs/dbraw/zinc/84/09/21/499840921.db2.gz SNTZURXPEWJGKC-UGKGYDQZSA-N 2 0 352.526 3.204 20 0 FGADRP C[C@@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[NH2+]C[C@@H]([NH3+])C1CC1 ZINC000414885489 499841471 /nfs/dbraw/zinc/84/14/71/499841471.db2.gz GPRPRJVGSXVBJR-LKFCYVNXSA-N 2 0 363.811 3.403 20 0 FGADRP CC1(C[NH2+]Cc2nc(-c3cccc(Br)c3)c[nH]2)CC[NH2+]CC1 ZINC000414899070 499842875 /nfs/dbraw/zinc/84/28/75/499842875.db2.gz GTSILLIJSYSWRP-UHFFFAOYSA-N 2 0 363.303 3.319 20 0 FGADRP C[C@@]1(C[NH2+]Cc2cc(Br)c3c(c2)OCCCO3)CCC[NH2+]C1 ZINC000414903144 499843335 /nfs/dbraw/zinc/84/33/35/499843335.db2.gz LMBROELXBADIBD-QGZVFWFLSA-N 2 0 369.303 3.090 20 0 FGADRP C[C@]1(C[NH2+]Cc2cc(Br)c3c(c2)OCCCO3)CCC[NH2+]C1 ZINC000414903140 499843439 /nfs/dbraw/zinc/84/34/39/499843439.db2.gz LMBROELXBADIBD-KRWDZBQOSA-N 2 0 369.303 3.090 20 0 FGADRP COc1cc(C[NH2+]C[C@@]2(C)CCC[NH2+]C2)ccc1OCc1ccncc1 ZINC000414917022 499844330 /nfs/dbraw/zinc/84/43/30/499844330.db2.gz QUYXLYYEOVFVPR-NRFANRHFSA-N 2 0 355.482 3.149 20 0 FGADRP Cc1cccn2cc(COc3ccc(C[NH2+][C@H]4CC[NH2+]C[C@H]4C)cc3)nc12 ZINC000414933256 499846132 /nfs/dbraw/zinc/84/61/32/499846132.db2.gz DKLOXMFWVFVFJN-UTKZUKDTSA-N 2 0 364.493 3.309 20 0 FGADRP COc1ccc(C[NH2+]CCC[C@H]2CCC[NH2+]2)cc1OCc1cccnc1 ZINC000414967268 499849886 /nfs/dbraw/zinc/84/98/86/499849886.db2.gz HHHQVLWTYVMBKD-IBGZPJMESA-N 2 0 355.482 3.291 20 0 FGADRP O=C(NCC[C@H]1CCC[NH2+]C1)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000414974321 499850474 /nfs/dbraw/zinc/85/04/74/499850474.db2.gz JSIZQSYDUWJPAH-LJQANCHMSA-N 2 0 358.530 3.226 20 0 FGADRP C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000414980920 499851023 /nfs/dbraw/zinc/85/10/23/499851023.db2.gz XIXDZOLOIWLDDS-WBVHZDCISA-N 2 0 351.922 3.199 20 0 FGADRP [NH3+][C@H]1CCC[C@@H](C[NH2+]Cc2cnn(-c3ccc(Br)cc3)c2)C1 ZINC000414994629 499852511 /nfs/dbraw/zinc/85/25/11/499852511.db2.gz MJAPLPOEDQRGHM-CJNGLKHVSA-N 2 0 363.303 3.242 20 0 FGADRP [NH3+][C@H]1CCC[C@H](C[NH2+]Cc2cn(-c3ccc(Cl)c(Cl)c3)nn2)C1 ZINC000414993097 499852693 /nfs/dbraw/zinc/85/26/93/499852693.db2.gz CDRPUWJYKLNVJT-RYUDHWBXSA-N 2 0 354.285 3.181 20 0 FGADRP CCOc1cc(C[NH2+]C[C@@H]2CCC[C@H]([NH3+])C2)cc(Br)c1OC ZINC000415004185 499853989 /nfs/dbraw/zinc/85/39/89/499853989.db2.gz XTUWEZKLDWLNJZ-OCCSQVGLSA-N 2 0 371.319 3.464 20 0 FGADRP Cc1nc2ccccn2c1C[NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000415006718 499854382 /nfs/dbraw/zinc/85/43/82/499854382.db2.gz QSTJCSZOMXXMGY-PKOBYXMFSA-N 2 0 352.457 3.265 20 0 FGADRP C[C@@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]C[C@H]1CC[C@H](C[NH3+])CC1 ZINC000415028424 499856017 /nfs/dbraw/zinc/85/60/17/499856017.db2.gz YKNDKGJIHSRSNI-ULQDDVLXSA-N 2 0 365.949 3.432 20 0 FGADRP COc1ccc(C(=O)Nc2cccc(C[NH2+][C@H]3CC[C@H](C[NH3+])C3)c2)cc1 ZINC000415035034 499856511 /nfs/dbraw/zinc/85/65/11/499856511.db2.gz KJIGVHDKDAUPSH-YJBOKZPZSA-N 2 0 353.466 3.165 20 0 FGADRP CCOCCOc1ccc(Br)cc1C[NH2+][C@@H]1CC[C@@H](C[NH3+])C1 ZINC000415035084 499856538 /nfs/dbraw/zinc/85/65/38/499856538.db2.gz KMGORULONQDOCZ-CZUORRHYSA-N 2 0 371.319 3.081 20 0 FGADRP C[C@@H](C[C@@H]1CCC[NH2+]1)[NH2+]CCOc1ncc(C(F)(F)F)cc1Cl ZINC000415081561 499861766 /nfs/dbraw/zinc/86/17/66/499861766.db2.gz KVDIAXIAWYGVGN-JQWIXIFHSA-N 2 0 351.800 3.253 20 0 FGADRP COc1cc([C@H](C)[NH2+]C[C@H]2CCC[NH2+]C2)ccc1OCc1ccncc1 ZINC000415095318 499862736 /nfs/dbraw/zinc/86/27/36/499862736.db2.gz ZLORHWVKUIRSPU-WMZOPIPTSA-N 2 0 355.482 3.319 20 0 FGADRP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](Cc2sccc2Br)CC1 ZINC000415109003 499864916 /nfs/dbraw/zinc/86/49/16/499864916.db2.gz MXWOFIGCMHUKJQ-HIFRSBDPSA-N 2 0 359.333 3.229 20 0 FGADRP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000415111911 499865226 /nfs/dbraw/zinc/86/52/26/499865226.db2.gz RJUMFILJQJWXKV-FGZHOGPDSA-N 3 0 373.585 3.363 20 0 FGADRP [NH3+][C@H]1CCCO[C@@H]1C1CC[NH+](Cc2ccc(OCC(F)F)cc2)CC1 ZINC000415115139 499865459 /nfs/dbraw/zinc/86/54/59/499865459.db2.gz WHLNXYOTFBXSDC-PKOBYXMFSA-N 2 0 354.441 3.049 20 0 FGADRP CCOc1ccc(C[NH+]2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)cc1OCC ZINC000415132414 499868260 /nfs/dbraw/zinc/86/82/60/499868260.db2.gz UDQXLISFJQLAJB-NQIIRXRSSA-N 2 0 362.514 3.202 20 0 FGADRP C[C@@H]1C[C@H](N(C)C(=O)C23CCC[NH+]2CCC3)CC[N@@H+]1Cc1ccccc1 ZINC000415201389 499876485 /nfs/dbraw/zinc/87/64/85/499876485.db2.gz KOXQAMDGNSJJPC-UYAOXDASSA-N 2 0 355.526 3.126 20 0 FGADRP CC1CC[NH+](CCc2cccc(NC(=O)N3CC[C@@H]4[NH2+]CC[C@@H]4C3)c2)CC1 ZINC000415391625 499890824 /nfs/dbraw/zinc/89/08/24/499890824.db2.gz MBAZLMDDBQUHAL-CTNGQTDRSA-N 2 0 370.541 3.177 20 0 FGADRP C[NH2+]C[C@@H]1CCN(C(=O)Nc2cccc(CC[NH+]3CCC(C)CC3)c2)C1 ZINC000415394421 499891113 /nfs/dbraw/zinc/89/11/13/499891113.db2.gz QNDIEDPKAVEDJS-IBGZPJMESA-N 2 0 358.530 3.034 20 0 FGADRP C[NH+](C)[C@@H]1CCc2cc(NC(=O)N3CCC([C@@H]4CC[NH2+]C4)CC3)ccc21 ZINC000415781268 499918423 /nfs/dbraw/zinc/91/84/23/499918423.db2.gz CULUFTIYSYGYKX-YLJYHZDGSA-N 2 0 356.514 3.089 20 0 FGADRP Cc1ccc([C@@H](CNC(=O)Nc2ccc3c(c2)C[NH2+]CC3)[NH+](C)C)cc1 ZINC000415884275 499924345 /nfs/dbraw/zinc/92/43/45/499924345.db2.gz PGUSLSSPKUXFGD-HXUWFJFHSA-N 2 0 352.482 3.065 20 0 FGADRP CC[C@H](C)[NH2+][C@@H](CNC(=O)Nc1ccc2c(c1)C[NH2+]CC2)c1ccco1 ZINC000415894563 499925234 /nfs/dbraw/zinc/92/52/34/499925234.db2.gz MKWJHHJNDGKESN-KSSFIOAISA-N 2 0 356.470 3.176 20 0 FGADRP C[NH2+]Cc1ccccc1NC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H]1C ZINC000415899133 499925881 /nfs/dbraw/zinc/92/58/81/499925881.db2.gz JATZQHMUTHAVDL-LPHOPBHVSA-N 2 0 352.482 3.191 20 0 FGADRP C[NH2+]Cc1ccccc1NC(=O)N(CCCc1ccccc1)CC[NH+](C)C ZINC000415903450 499926105 /nfs/dbraw/zinc/92/61/05/499926105.db2.gz QHKQASOWHWVALK-UHFFFAOYSA-N 2 0 368.525 3.434 20 0 FGADRP C[NH2+]Cc1ccccc1NC(=O)NC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000415914198 499927895 /nfs/dbraw/zinc/92/78/95/499927895.db2.gz VENOQUSKLSJINL-UHFFFAOYSA-N 2 0 354.498 3.438 20 0 FGADRP CC[NH2+]Cc1ccccc1NC(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000415917579 499928211 /nfs/dbraw/zinc/92/82/11/499928211.db2.gz KMUSRMKUNXKQIS-UHFFFAOYSA-N 2 0 367.497 3.229 20 0 FGADRP C[NH2+]Cc1cccc(NC(=O)N[C@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)c1 ZINC000415917881 499928276 /nfs/dbraw/zinc/92/82/76/499928276.db2.gz JTRBXJZDWFTEDG-UZLBHIALSA-N 2 0 352.482 3.363 20 0 FGADRP C[NH2+]Cc1cccc(NC(=O)N2CCC[C@H](C[NH+]3CCC(C)CC3)C2)c1 ZINC000415924500 499929148 /nfs/dbraw/zinc/92/91/48/499929148.db2.gz YNOZQFRUOVEGDC-LJQANCHMSA-N 2 0 358.530 3.382 20 0 FGADRP CC[NH2+]Cc1cccc(NC(=O)N[C@@H](C[NH+](C)C)c2ccc(OC)cc2)c1 ZINC000415928954 499929713 /nfs/dbraw/zinc/92/97/13/499929713.db2.gz GKCWUTOAJOETTM-FQEVSTJZSA-N 2 0 370.497 3.229 20 0 FGADRP C[NH2+]Cc1cccc(NC(=O)N2CC[N@H+](Cc3ccccc3)C[C@H](C)C2)c1 ZINC000415933890 499930166 /nfs/dbraw/zinc/93/01/66/499930166.db2.gz QRLCNMUOFBRCJR-SFHVURJKSA-N 2 0 366.509 3.392 20 0 FGADRP CC[NH2+]Cc1ccccc1NC(=O)N(C)CCC[N@H+](C)Cc1ccco1 ZINC000415934177 499930316 /nfs/dbraw/zinc/93/03/16/499930316.db2.gz RMBNTVLFAIRNRZ-UHFFFAOYSA-N 2 0 358.486 3.375 20 0 FGADRP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000415970963 499935387 /nfs/dbraw/zinc/93/53/87/499935387.db2.gz MDJNNKOYACLZLJ-WBMJQRKESA-N 2 0 370.419 3.255 20 0 FGADRP C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000415981896 499937102 /nfs/dbraw/zinc/93/71/02/499937102.db2.gz WTGWXWQMDKMSST-UHFFFAOYSA-N 2 0 362.424 3.019 20 0 FGADRP C[NH2+]Cc1ccc(NC(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)cc1 ZINC000415994865 499938921 /nfs/dbraw/zinc/93/89/21/499938921.db2.gz WMRMMJYVLMDTOA-FQEVSTJZSA-N 2 0 352.482 3.365 20 0 FGADRP C[NH2+]Cc1ccc(NC(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000416014852 499941057 /nfs/dbraw/zinc/94/10/57/499941057.db2.gz SVTGBVMLHWOMQT-LJQANCHMSA-N 2 0 352.482 3.050 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N(CCC[NH3+])CC1CCCC1 ZINC000417033873 499953493 /nfs/dbraw/zinc/95/34/93/499953493.db2.gz GAJNOQMQCGWMOL-GOSISDBHSA-N 2 0 352.567 3.192 20 0 FGADRP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)N[C@H](CCC[NH3+])c1ccccc1 ZINC000417041316 499955708 /nfs/dbraw/zinc/95/57/08/499955708.db2.gz KZWXILWXSCFCMM-AZUAARDMSA-N 2 0 360.546 3.420 20 0 FGADRP C[NH+](C)CCOc1cccc(NC(=O)C[C@@H](c2ccccc2)[NH+](C)C)c1 ZINC000416143959 499957493 /nfs/dbraw/zinc/95/74/93/499957493.db2.gz LRJKRJQPXGRGGC-FQEVSTJZSA-N 2 0 355.482 3.259 20 0 FGADRP CC1CC[NH+]([C@@H](CNC(=O)N2CCC[C@@H](CC[NH3+])C2)c2ccccc2)CC1 ZINC000417208679 500005531 /nfs/dbraw/zinc/00/55/31/500005531.db2.gz BIVFUJDQLMPUCJ-FPOVZHCZSA-N 2 0 372.557 3.230 20 0 FGADRP C[NH2+]C[C@H]1CCCN1C(=O)NCc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000417220408 500009264 /nfs/dbraw/zinc/00/92/64/500009264.db2.gz NYFGDAKAXXWJPW-OAQYLSRUSA-N 2 0 372.557 3.345 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N[C@@H](C)CC[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000417292341 500030559 /nfs/dbraw/zinc/03/05/59/500030559.db2.gz CHZUNQOEDUIRRM-XJKSGUPXSA-N 2 0 374.451 3.125 20 0 FGADRP CC[NH+]1CCC(N2CCC[N@H+](Cc3ccc(OCC4CC4)cc3)CC2)CC1 ZINC000421377336 500032176 /nfs/dbraw/zinc/03/21/76/500032176.db2.gz RHDPOBSIDYNSBC-UHFFFAOYSA-N 2 0 371.569 3.467 20 0 FGADRP Cc1ccc([C@@H](CNC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)[NH+]2CCCC2)cc1 ZINC000417351635 500047155 /nfs/dbraw/zinc/04/71/55/500047155.db2.gz CZTHYVMLDPSURN-JGUMPVPUSA-N 2 0 370.541 3.056 20 0 FGADRP O=C(NCc1ccc(C[NH+]2CCCCCC2)cc1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000417377168 500053436 /nfs/dbraw/zinc/05/34/36/500053436.db2.gz RWFLIXKKDQNUHZ-OYRHEFFESA-N 2 0 370.541 3.099 20 0 FGADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(C)(C)C1(O)CCOCC1 ZINC000417384526 500055662 /nfs/dbraw/zinc/05/56/62/500055662.db2.gz QLBRCTPPIHMKRZ-ICSRJNTNSA-N 2 0 360.542 3.054 20 0 FGADRP CC[N@H+](C)Cc1cccc(CNC(=O)N(CCC[NH3+])Cc2ccccc2)c1 ZINC000417408514 500064751 /nfs/dbraw/zinc/06/47/51/500064751.db2.gz UKEAAZUKHASPTG-UHFFFAOYSA-N 2 0 368.525 3.199 20 0 FGADRP C[N@H+](CCNC(=O)N[C@@H](C[NH3+])c1ccc2ccccc2c1)C1CCCC1 ZINC000417505788 500092371 /nfs/dbraw/zinc/09/23/71/500092371.db2.gz KQPKBRHGOYNKIV-FQEVSTJZSA-N 2 0 354.498 3.013 20 0 FGADRP C[C@@H]([NH3+])c1ccc(CNC(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)cc1 ZINC000416791199 500121510 /nfs/dbraw/zinc/12/15/10/500121510.db2.gz WAALPXYIBXOSIA-DYESRHJHSA-N 2 0 366.509 3.343 20 0 FGADRP CC1CC[NH+]([C@H](CNC(=O)N(C)CC(C)(C)C[NH3+])c2cccs2)CC1 ZINC000416826486 500130783 /nfs/dbraw/zinc/13/07/83/500130783.db2.gz BSIIUIJYAFVTGL-MRXNPFEDSA-N 2 0 366.575 3.147 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N1C[C@H](C[NH3+])C[C@@H]1C)c1ccccc1Cl ZINC000416831070 500132373 /nfs/dbraw/zinc/13/23/73/500132373.db2.gz HFHJQOFSHLZGJM-RLFYNMQTSA-N 2 0 366.937 3.102 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)NCc1ccc2c(c1)C[NH2+]C2)c1ccccc1 ZINC000416834137 500133554 /nfs/dbraw/zinc/13/35/54/500133554.db2.gz DCUQLBVBAVKMKT-NRFANRHFSA-N 2 0 366.509 3.172 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)c1ccccc1 ZINC000416847652 500136976 /nfs/dbraw/zinc/13/69/76/500136976.db2.gz VPBVXGWHJYGHAQ-QHAWAJNXSA-N 2 0 372.557 3.101 20 0 FGADRP C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000416887513 500147974 /nfs/dbraw/zinc/14/79/74/500147974.db2.gz IFKJPVFUFBIRER-XLIONFOSSA-N 2 0 358.530 3.084 20 0 FGADRP CCCN(C(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1)C1CC[NH2+]CC1 ZINC000417688684 500149032 /nfs/dbraw/zinc/14/90/32/500149032.db2.gz JAAICFXXXUMPAV-SFHVURJKSA-N 2 0 372.557 3.386 20 0 FGADRP CC[NH+](CC)Cc1ccccc1CNC(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000416897653 500150160 /nfs/dbraw/zinc/15/01/60/500150160.db2.gz YGIMTVNHRMVHAR-UHFFFAOYSA-N 2 0 372.557 3.204 20 0 FGADRP CCC(CC)(CNC(=O)N[C@@H]1CC[C@@H](C[NH3+])C1)[NH2+][C@@H](C)c1ccccc1 ZINC000417695660 500150814 /nfs/dbraw/zinc/15/08/14/500150814.db2.gz BMCLZMDJTGULMC-YQVWRLOYSA-N 2 0 360.546 3.323 20 0 FGADRP C[C@@H]([NH2+]C1(CNC(=O)NCC[C@@H]2CCC[NH2+]C2)CCCC1)c1ccccc1 ZINC000417698564 500151804 /nfs/dbraw/zinc/15/18/04/500151804.db2.gz GPGNTTJHHBJWBK-MOPGFXCFSA-N 2 0 372.557 3.339 20 0 FGADRP CCC(CC)(CNC(=O)N[C@@H]1CC[NH2+]C[C@@H]1C)[NH2+][C@H](C)c1ccccc1 ZINC000417702692 500152868 /nfs/dbraw/zinc/15/28/68/500152868.db2.gz KQWZUFDNKURACA-YQVWRLOYSA-N 2 0 360.546 3.193 20 0 FGADRP CCC(CC)(CNC(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1)[NH2+][C@@H](C)c1ccccc1 ZINC000417706492 500153628 /nfs/dbraw/zinc/15/36/28/500153628.db2.gz PAZOECGQBGNOOF-IHPCNDPISA-N 2 0 372.557 3.147 20 0 FGADRP CCC(CC)(CNC(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1)[NH2+][C@H](C)c1ccccc1 ZINC000417706491 500153664 /nfs/dbraw/zinc/15/36/64/500153664.db2.gz PAZOECGQBGNOOF-HOJAQTOUSA-N 2 0 372.557 3.147 20 0 FGADRP C[C@@H]([NH2+]C1(CNC(=O)NCCC[NH2+]C2CC2)CCCC1)c1ccccc1 ZINC000417709675 500154369 /nfs/dbraw/zinc/15/43/69/500154369.db2.gz TXIPHUSAISCHIJ-QGZVFWFLSA-N 2 0 358.530 3.091 20 0 FGADRP C[NH2+]C[C@@H]1CCCN1C(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCCC1 ZINC000417712351 500154756 /nfs/dbraw/zinc/15/47/56/500154756.db2.gz WTDKRYIAHQCFEE-HKUYNNGSSA-N 2 0 358.530 3.043 20 0 FGADRP COC(=O)c1cnc([C@@H](C)[NH2+]CC2CC[NH+](CCC(C)C)CC2)s1 ZINC000414114174 500157123 /nfs/dbraw/zinc/15/71/23/500157123.db2.gz ONFYZPKIYOPBHB-CQSZACIVSA-N 2 0 353.532 3.338 20 0 FGADRP CC[NH+]1CCN(CCC[NH2+][C@H](c2ccc(OC)cc2F)C(C)C)CC1 ZINC000421819590 500158076 /nfs/dbraw/zinc/15/80/76/500158076.db2.gz HWZVNCIOXPCYOZ-FQEVSTJZSA-N 2 0 351.510 3.149 20 0 FGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H](C)Cc2ccc(F)cc2Cl)CC1 ZINC000421823511 500159781 /nfs/dbraw/zinc/15/97/81/500159781.db2.gz DDAJXDOAPPPTKD-HZPDHXFCSA-N 2 0 355.929 3.273 20 0 FGADRP CCCN(C(=O)NC[C@@H](C(CC)CC)[NH+]1CCCC1)C1CC[NH2+]CC1 ZINC000416957455 500166121 /nfs/dbraw/zinc/16/61/21/500166121.db2.gz ODMAJMKQAZYKMB-IBGZPJMESA-N 2 0 352.567 3.061 20 0 FGADRP C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)NC[C@H]3CCC[C@H]([NH3+])C3)cc2)C1 ZINC000416966135 500167970 /nfs/dbraw/zinc/16/79/70/500167970.db2.gz FADVJWZJWPCYRJ-QMMLZNLJSA-N 2 0 372.557 3.235 20 0 FGADRP C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)N3CCC[C@@H](CC[NH3+])C3)cc2)C1 ZINC000416966702 500168681 /nfs/dbraw/zinc/16/86/81/500168681.db2.gz FXWDTMNHZZHKOV-ICSRJNTNSA-N 2 0 372.557 3.189 20 0 FGADRP C[C@@H](CCCC[NH3+])NC(=O)NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000416969160 500169221 /nfs/dbraw/zinc/16/92/21/500169221.db2.gz KIBQNYVLVUSNOD-MSOLQXFVSA-N 2 0 360.546 3.235 20 0 FGADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)NCC1([NH3+])CCCCCC1 ZINC000416969831 500170183 /nfs/dbraw/zinc/17/01/83/500170183.db2.gz LNISEPCOXBOARP-UHFFFAOYSA-N 2 0 360.546 3.378 20 0 FGADRP C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)NCC[C@@H]2CCC[NH2+]C2)C1 ZINC000416972367 500171737 /nfs/dbraw/zinc/17/17/37/500171737.db2.gz RRVFISJZHDCZKL-MOPGFXCFSA-N 2 0 372.557 3.107 20 0 FGADRP CC[NH+](CC)Cc1cccc(CNC(=O)N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000416979690 500173920 /nfs/dbraw/zinc/17/39/20/500173920.db2.gz HYFTZCDKUZPBHH-NHCUHLMSSA-N 2 0 372.557 3.060 20 0 FGADRP C[C@@H](CCC[NH3+])NC(=O)NCc1ccc(C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000416984453 500175141 /nfs/dbraw/zinc/17/51/41/500175141.db2.gz HFKQBCIMACPELC-KURKYZTESA-N 2 0 360.546 3.091 20 0 FGADRP CC[NH+](CC)Cc1cccc(CNC(=O)NC[C@H]([NH3+])c2ccccc2)c1 ZINC000416988995 500176867 /nfs/dbraw/zinc/17/68/67/500176867.db2.gz UZYQFUWMZLJWJF-FQEVSTJZSA-N 2 0 354.498 3.028 20 0 FGADRP C[C@@H](C[NH2+]Cc1cc(Cl)ccc1OCC1CC1)CN1CC[NH+](C)CC1 ZINC000430046872 500185650 /nfs/dbraw/zinc/18/56/50/500185650.db2.gz PXZMYQXQHABMFC-INIZCTEOSA-N 2 0 365.949 3.102 20 0 FGADRP CC(C)C[C@H](CNC(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1)[NH2+][C@@H](C)c1ccccc1 ZINC000417865351 500187048 /nfs/dbraw/zinc/18/70/48/500187048.db2.gz CNPNPBQPDYJWOR-KCLUMXDGSA-N 2 0 372.557 3.145 20 0 FGADRP CCCC[N@H+](CC)Cc1cccc(CNC(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000417878087 500189769 /nfs/dbraw/zinc/18/97/69/500189769.db2.gz OQJNGSVLMKGIHT-NHCUHLMSSA-N 2 0 372.557 3.202 20 0 FGADRP CCCC[N@H+](CC)Cc1cccc(CNC(=O)NC2CCC([NH3+])CC2)c1 ZINC000417879424 500190188 /nfs/dbraw/zinc/19/01/88/500190188.db2.gz PNONHQKDKJIGPG-UHFFFAOYSA-N 2 0 360.546 3.378 20 0 FGADRP CC[NH+]1CCC(N2CCCN(C(=O)c3cc(Cl)ccc3F)CC2)CC1 ZINC000422013750 500197762 /nfs/dbraw/zinc/19/77/62/500197762.db2.gz XVSKEBKDFHEOBO-UHFFFAOYSA-N 2 0 367.896 3.111 20 0 FGADRP CC[NH+]1CCC(N2CCCN(C(=O)c3cccc(Cl)c3F)CC2)CC1 ZINC000422014094 500197808 /nfs/dbraw/zinc/19/78/08/500197808.db2.gz GCEBMMNZAYXSQR-UHFFFAOYSA-N 2 0 367.896 3.111 20 0 FGADRP CCn1cncc1C[NH2+]CCc1ccc(OCC[N@@H+]2C[C@H](C)[C@H](C)C2)cc1 ZINC000417978521 500208133 /nfs/dbraw/zinc/20/81/33/500208133.db2.gz YKUBDMKQECCIRI-KDURUIRLSA-N 2 0 370.541 3.202 20 0 FGADRP CN(C)C(=O)c1ccccc1C[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000417979107 500208148 /nfs/dbraw/zinc/20/81/48/500208148.db2.gz DULYNROBXFNNET-UHFFFAOYSA-N 2 0 366.509 3.132 20 0 FGADRP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N1CCCC[C@H]1[C@@H]1CCC[NH2+]C1 ZINC000417984130 500209384 /nfs/dbraw/zinc/20/93/84/500209384.db2.gz OMGCILFJCWKMGD-NRSPTQNISA-N 2 0 372.557 3.071 20 0 FGADRP C[NH2+]CCC1CCN(C(=O)N[C@H](C[N@H+](C)Cc2ccccc2)C(C)C)CC1 ZINC000418025433 500215972 /nfs/dbraw/zinc/21/59/72/500215972.db2.gz DNCYUNXGLFBTAR-OAQYLSRUSA-N 2 0 374.573 3.174 20 0 FGADRP O=C(NCCC[NH+]1CCCC1)C1CC[NH+](C[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000418062167 500223967 /nfs/dbraw/zinc/22/39/67/500223967.db2.gz FIDJHJYEZUMKDN-VXKWHMMOSA-N 2 0 369.553 3.104 20 0 FGADRP CCCN(C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)[C@H]1CC[NH2+]C1 ZINC000418166626 500240983 /nfs/dbraw/zinc/24/09/83/500240983.db2.gz ZOAYIYZIGQDAAG-PMACEKPBSA-N 2 0 372.557 3.071 20 0 FGADRP C[NH+](C)C[C@@H](NC(=O)NC1CCC([NH+](C)C)CC1)c1ccc(Cl)cc1 ZINC000422261950 500243487 /nfs/dbraw/zinc/24/34/87/500243487.db2.gz NZAZBSCQPNQFNI-DAWZGUTISA-N 2 0 366.937 3.115 20 0 FGADRP CCC[N@H+](C)[C@@H](CNC(=O)NC[C@H]1CCC[NH2+]C1)c1ccc(Cl)cc1 ZINC000418179583 500243529 /nfs/dbraw/zinc/24/35/29/500243529.db2.gz JNJGACBGSKTACB-YJBOKZPZSA-N 2 0 366.937 3.022 20 0 FGADRP CSc1ccc([C@H](CNC(=O)NC[C@@H]([NH3+])c2ccccc2)[NH+](C)C)cc1 ZINC000418228323 500252882 /nfs/dbraw/zinc/25/28/82/500252882.db2.gz DSUBUFJBMBIBKK-MOPGFXCFSA-N 2 0 372.538 3.010 20 0 FGADRP CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)N[C@H](CCC[NH3+])c1ccccc1 ZINC000418236594 500254339 /nfs/dbraw/zinc/25/43/39/500254339.db2.gz MPDBRBBYSFBDGJ-VQTJNVASSA-N 2 0 360.546 3.276 20 0 FGADRP CC[NH2+]CC1CC[NH+]([C@H](C)C(=O)Nc2ccc(C(F)(F)F)cc2)CC1 ZINC000430577031 500257159 /nfs/dbraw/zinc/25/71/59/500257159.db2.gz NMUITCUUFFEXLW-CYBMUJFWSA-N 2 0 357.420 3.354 20 0 FGADRP CC[NH2+]CC1CC[NH+](CC(=O)N[C@H](C)c2ccc(CC(C)C)cc2)CC1 ZINC000430587836 500259028 /nfs/dbraw/zinc/25/90/28/500259028.db2.gz AXMDGMFSBQSXOL-GOSISDBHSA-N 2 0 359.558 3.384 20 0 FGADRP C[C@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[NH+]1CCC(C[NH3+])CC1 ZINC000430612447 500262428 /nfs/dbraw/zinc/26/24/28/500262428.db2.gz RKRKEJLNRJSJMM-SNVBAGLBSA-N 2 0 363.811 3.357 20 0 FGADRP C[C@@H]1C[C@@H](N(C)C(=O)NCC[C@H]2CCC[NH2+]C2)CC[N@@H+]1Cc1ccccc1 ZINC000418355396 500267799 /nfs/dbraw/zinc/26/77/99/500267799.db2.gz BKEMAOPBRKTFES-SBHAEUEKSA-N 2 0 372.557 3.071 20 0 FGADRP CC(C)C[C@H](C[NH3+])NC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000418409479 500273240 /nfs/dbraw/zinc/27/32/40/500273240.db2.gz AIESOVRXSNWKAR-SXLOBPIMSA-N 2 0 360.546 3.054 20 0 FGADRP COc1cc(C[N@@H+]2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)ccc1OCc1ccncc1 ZINC000422562036 500274870 /nfs/dbraw/zinc/27/48/70/500274870.db2.gz PBFILSZGJCCQDB-HLIPFELVSA-N 2 0 369.509 3.474 20 0 FGADRP CCC([NH3+])(CC)CNC(=O)N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000418429713 500275346 /nfs/dbraw/zinc/27/53/46/500275346.db2.gz SMTWLQFEFLLAGL-QGZVFWFLSA-N 2 0 352.567 3.190 20 0 FGADRP C[NH+](C)CCN(Cc1cccs1)C(=O)NCC[NH2+]C1CCCCCC1 ZINC000418456371 500279057 /nfs/dbraw/zinc/27/90/57/500279057.db2.gz FTQOXDPMMRDXAT-UHFFFAOYSA-N 2 0 366.575 3.134 20 0 FGADRP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)NC(C)(C)CC[NH3+])cc2)C1 ZINC000422594371 500279785 /nfs/dbraw/zinc/27/97/85/500279785.db2.gz RIJVBJIRPWOJKZ-IAGOWNOFSA-N 2 0 360.546 3.091 20 0 FGADRP C[NH+](C)C1CCC(NC(=O)N[C@H](C[NH3+])c2ccc3ccccc3c2)CC1 ZINC000422608952 500281017 /nfs/dbraw/zinc/28/10/17/500281017.db2.gz NLNVIGFKVQJWSQ-SOAGJPPSSA-N 2 0 354.498 3.012 20 0 FGADRP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)N[C@@H](C[NH3+])c1ccc2ccccc2c1 ZINC000418483100 500282154 /nfs/dbraw/zinc/28/21/54/500282154.db2.gz FLULSWAGKGKPNI-IERDGZPVSA-N 2 0 368.525 3.211 20 0 FGADRP Cc1nccn1CCCN(C)C(=O)N[C@@H](C[NH3+])c1ccc2ccccc2c1 ZINC000418487040 500282810 /nfs/dbraw/zinc/28/28/10/500282810.db2.gz KIVNLLUPTPQYGV-FQEVSTJZSA-N 2 0 365.481 3.076 20 0 FGADRP C[NH+](C)CCCC(C)(C)NC(=O)N[C@@H](C[NH3+])c1ccc2ccccc2c1 ZINC000418500949 500285186 /nfs/dbraw/zinc/28/51/86/500285186.db2.gz PZDRVWMYXWFSQJ-IBGZPJMESA-N 2 0 356.514 3.259 20 0 FGADRP CCOc1ccccc1Oc1ccc(C[NH2+][C@@H]2CCOC[C@@H]2[C@@H](C)[NH3+])cn1 ZINC000422696407 500287340 /nfs/dbraw/zinc/28/73/40/500287340.db2.gz RNYGFJFLKVXMLC-KBAYOESNSA-N 2 0 371.481 3.115 20 0 FGADRP COc1cccc(C[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c1OC ZINC000422701624 500287355 /nfs/dbraw/zinc/28/73/55/500287355.db2.gz DNIILQVIODEWHL-LAUBAEHRSA-N 2 0 354.450 3.049 20 0 FGADRP CCN(C(=O)NCC1(C)CC[NH2+]CC1)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000418526424 500287525 /nfs/dbraw/zinc/28/75/25/500287525.db2.gz ZTAODMXVQWDQBF-AZUAARDMSA-N 2 0 372.557 3.243 20 0 FGADRP [NH3+]CC1CCC([NH2+][C@@H]2CCN(c3cccc(OC(F)(F)F)c3)C2)CC1 ZINC000422727340 500291020 /nfs/dbraw/zinc/29/10/20/500291020.db2.gz HFIYIKZNPTWIIN-YMAMQOFZSA-N 2 0 357.420 3.271 20 0 FGADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1 ZINC000422726477 500291117 /nfs/dbraw/zinc/29/11/17/500291117.db2.gz DZBZZOXLJOHJFO-JJRVBVJISA-N 2 0 357.420 3.271 20 0 FGADRP C[C@@H]1CCC[C@](CN[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)([NH+](C)C)C1 ZINC000422738415 500292672 /nfs/dbraw/zinc/29/26/72/500292672.db2.gz JBLBUSFGKCLXOT-HQMSXXKGSA-N 2 0 357.542 3.342 20 0 FGADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]CC1(c2cccc(Br)c2)CCC1 ZINC000422742867 500293114 /nfs/dbraw/zinc/29/31/14/500293114.db2.gz SKZZWDLPEIQQAC-IAOVAPTHSA-N 2 0 367.331 3.213 20 0 FGADRP COc1ccccc1[C@H](C[NH2+][C@@H](C)c1ccc(C[NH3+])nc1C)N1CCCC1 ZINC000422742413 500293120 /nfs/dbraw/zinc/29/31/20/500293120.db2.gz GHJOLKHOTOHPKG-KKSFZXQISA-N 2 0 368.525 3.345 20 0 FGADRP CCOC(=O)C1([C@H](C)[NH2+]Cc2ccccc2OCC(C)C)CC[NH2+]CC1 ZINC000422746091 500294037 /nfs/dbraw/zinc/29/40/37/500294037.db2.gz YWQIGBCXBKHYEM-KRWDZBQOSA-N 2 0 362.514 3.132 20 0 FGADRP COc1cccc([C@H](CN[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)[NH+]2CCCC2)c1 ZINC000422760334 500295359 /nfs/dbraw/zinc/29/53/59/500295359.db2.gz LVGLBPWIGAXSFA-CBPXPLCBSA-N 2 0 357.542 3.342 20 0 FGADRP CCOC(=O)C1([C@H](C)[NH2+]CCCSc2ccc(F)cc2)CC[NH2+]CC1 ZINC000422769586 500296221 /nfs/dbraw/zinc/29/62/21/500296221.db2.gz VJWXQQJUZXYPMM-HNNXBMFYSA-N 2 0 368.518 3.219 20 0 FGADRP CCN(C(=O)NCCC1=CC[NH2+]CC1)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000418634165 500298682 /nfs/dbraw/zinc/29/86/82/500298682.db2.gz DVGHZSLXOQSBST-NQIIRXRSSA-N 2 0 370.541 3.163 20 0 FGADRP CCN(C(=O)NCCC1=CC[NH2+]CC1)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000418634167 500298710 /nfs/dbraw/zinc/29/87/10/500298710.db2.gz DVGHZSLXOQSBST-RXVVDRJESA-N 2 0 370.541 3.163 20 0 FGADRP [NH3+]CCC[C@@H](NC(=O)N1CCC[N@@H+](C2CCCC2)CC1)c1ccccc1 ZINC000418654044 500301687 /nfs/dbraw/zinc/30/16/87/500301687.db2.gz BKQRUNNNKDCQML-HXUWFJFHSA-N 2 0 358.530 3.127 20 0 FGADRP CCOC(=O)C1([C@H](C)[NH2+][C@@H]2c3cccc(F)c3CC[C@@H]2C)CC[NH2+]CC1 ZINC000422842553 500304898 /nfs/dbraw/zinc/30/48/98/500304898.db2.gz YTQCZNSJWSJTBZ-DOXZYTNZSA-N 2 0 362.489 3.360 20 0 FGADRP C[C@@H](CCC[NH3+])[NH2+]Cc1ccccc1C[NH+]1CCN(c2ccccc2)CC1 ZINC000422844009 500305065 /nfs/dbraw/zinc/30/50/65/500305065.db2.gz KOGVUBHTHLEVIV-FQEVSTJZSA-N 3 0 366.553 3.226 20 0 FGADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]Cc1cccc(COCc2ccccc2)c1 ZINC000422852492 500305938 /nfs/dbraw/zinc/30/59/38/500305938.db2.gz AWOKOHJALZHLNW-MTNREXPMSA-N 2 0 354.494 3.245 20 0 FGADRP [NH3+]CCC[C@@H](NC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1)c1ccccc1 ZINC000418675019 500306004 /nfs/dbraw/zinc/30/60/04/500306004.db2.gz PHUQXLACPMVVPR-WOJBJXKFSA-N 2 0 358.530 3.127 20 0 FGADRP Cc1nn(-c2ccc(F)cc2)cc1C[NH2+][C@@H](C)c1ccc(C[NH3+])nc1C ZINC000422852182 500306168 /nfs/dbraw/zinc/30/61/68/500306168.db2.gz XQCZUFLPDPVDNZ-AWEZNQCLSA-N 2 0 353.445 3.333 20 0 FGADRP C[C@H]([NH3+])C1CC[NH+](CC(=O)N[C@H](Cc2ccccc2)c2ccccc2)CC1 ZINC000430925482 500307856 /nfs/dbraw/zinc/30/78/56/500307856.db2.gz LWNPVFGREBZCMD-PGRDOPGGSA-N 2 0 365.521 3.146 20 0 FGADRP Cc1ccc(C[NH2+][C@@H](C)c2ccc(C[NH3+])nc2C)c(O[C@@H]2CCOC2)c1 ZINC000422872279 500308338 /nfs/dbraw/zinc/30/83/38/500308338.db2.gz GLIKMFQXJIYGAS-HNAYVOBHSA-N 2 0 355.482 3.176 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+][C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC000422874813 500309007 /nfs/dbraw/zinc/30/90/07/500309007.db2.gz DGFHINUXFQRWBU-YJSIEXFISA-N 3 0 371.569 3.308 20 0 FGADRP CC(C)(C)CC(C)(C)[NH+]1CCN(C(=O)NC[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000418707345 500310103 /nfs/dbraw/zinc/31/01/03/500310103.db2.gz BOKDUFDWSTYONO-DLBZAZTESA-N 2 0 352.567 3.046 20 0 FGADRP C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)N1CC[C@H]([NH3+])[C@H](C)C1 ZINC000430940185 500310410 /nfs/dbraw/zinc/31/04/10/500310410.db2.gz JCXVFAXDWUUGQF-NUJGCVRESA-N 2 0 353.466 3.475 20 0 FGADRP C[NH2+]CC1CC[NH+](CC(=O)N[C@H](Cc2ccccc2)c2ccccc2)CC1 ZINC000430943860 500311158 /nfs/dbraw/zinc/31/11/58/500311158.db2.gz JWTMVLRBEMOPPS-JOCHJYFZSA-N 2 0 365.521 3.018 20 0 FGADRP CCOC(=O)C1([C@@H](C)[NH2+][C@H](C)c2ccc(OC(C)C)cc2)CC[NH2+]CC1 ZINC000422888945 500311830 /nfs/dbraw/zinc/31/18/30/500311830.db2.gz DZHKIUKSHYXDMR-IAGOWNOFSA-N 2 0 362.514 3.446 20 0 FGADRP CCOC(=O)C1([C@H](C)[NH2+]Cc2oc3ccc(F)cc3c2C)CC[NH2+]CC1 ZINC000422899138 500313045 /nfs/dbraw/zinc/31/30/45/500313045.db2.gz GUZKKCPALOEMBO-AWEZNQCLSA-N 2 0 362.445 3.291 20 0 FGADRP COCCOc1cccc(C[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000422901861 500313873 /nfs/dbraw/zinc/31/38/73/500313873.db2.gz SMHAZNREUXYOJL-UNMCSNQZSA-N 2 0 368.477 3.057 20 0 FGADRP CCOc1ccc([C@H](C)NC(=O)CCC[NH2+][C@H]2CC[NH2+]CC[C@H]2C)cc1 ZINC000422926730 500317388 /nfs/dbraw/zinc/31/73/88/500317388.db2.gz DTCCQEAFVVNZPN-UWVAXJGDSA-N 2 0 361.530 3.020 20 0 FGADRP Cc1sc(CC[NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)nc1-c1ccccc1 ZINC000422930641 500318173 /nfs/dbraw/zinc/31/81/73/500318173.db2.gz VIMOCMRBROPXEL-GUDVDZBRSA-N 2 0 371.550 3.408 20 0 FGADRP O=c1ccccn1Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)cc1 ZINC000422949395 500321605 /nfs/dbraw/zinc/32/16/05/500321605.db2.gz TZFDENHSJBXQJO-BHIFYINESA-N 2 0 365.521 3.297 20 0 FGADRP CCOC(=O)C1([C@@H](C)[NH2+][C@@H]2CCc3cc(Cl)ccc32)CC[NH2+]CC1 ZINC000422945466 500321950 /nfs/dbraw/zinc/32/19/50/500321950.db2.gz NDFRKZBDVRSEPU-CXAGYDPISA-N 2 0 350.890 3.238 20 0 FGADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CCOc1cccc(Br)c1 ZINC000422949420 500322612 /nfs/dbraw/zinc/32/26/12/500322612.db2.gz UEBGDZLRWBVGOM-GFCCVEGCSA-N 2 0 364.287 3.341 20 0 FGADRP O=C(CC[NH+]1CCC2(CC[NH2+]C2)CC1)Nc1c(Cl)cccc1Cl ZINC000431015442 500323948 /nfs/dbraw/zinc/32/39/48/500323948.db2.gz UVRBCUQRZCZHBU-UHFFFAOYSA-N 2 0 356.297 3.398 20 0 FGADRP COCCNc1ccc(C[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422963305 500324877 /nfs/dbraw/zinc/32/48/77/500324877.db2.gz FMRZAPOZNZMOEE-IFMALSPDSA-N 2 0 367.493 3.090 20 0 FGADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000422962037 500324889 /nfs/dbraw/zinc/32/48/89/500324889.db2.gz BSQHRDVANNHSBJ-SPEDKVCISA-N 2 0 352.526 3.155 20 0 FGADRP CCOC(=O)C1([C@H](C)[NH2+][C@@H]2CCC[C@@H]2OCc2ccccc2)CC[NH2+]CC1 ZINC000422986364 500327210 /nfs/dbraw/zinc/32/72/10/500327210.db2.gz CGKOJGDIMPICLI-SXLOBPIMSA-N 2 0 374.525 3.035 20 0 FGADRP [NH3+][C@@H](Cc1ccccc1)C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000431061981 500330099 /nfs/dbraw/zinc/33/00/99/500330099.db2.gz YVCXCYQPQCPREN-NRFANRHFSA-N 2 0 351.494 3.224 20 0 FGADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]C[C@@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000423020890 500331929 /nfs/dbraw/zinc/33/19/29/500331929.db2.gz DBQBZETUPLDXNT-OPGCRTJHSA-N 2 0 353.913 3.450 20 0 FGADRP COc1ccc(C[C@H](C)C[NH2+][C@H](Cc2ccccc2)[C@@H](C)[NH3+])cc1OC ZINC000423027691 500333062 /nfs/dbraw/zinc/33/30/62/500333062.db2.gz RTDPQFSIQRVQBN-SQGPQFPESA-N 2 0 356.510 3.431 20 0 FGADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]Cc1ccc(OCc2ccccc2F)cc1 ZINC000423051785 500335770 /nfs/dbraw/zinc/33/57/70/500335770.db2.gz PAYDYGMQWVTGLX-PAXLWEDBSA-N 2 0 358.457 3.247 20 0 FGADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCN1CCc2c(Cl)cccc2C1 ZINC000423062278 500337345 /nfs/dbraw/zinc/33/73/45/500337345.db2.gz SUCULUOWKFJOSN-KKSFZXQISA-N 2 0 357.929 3.246 20 0 FGADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+][C@H]1CCCN(c2ccc(Cl)cc2Cl)C1 ZINC000423066641 500337965 /nfs/dbraw/zinc/33/79/65/500337965.db2.gz FBQABFZPNYPUDQ-NZUILWFCSA-N 2 0 372.340 3.304 20 0 FGADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+][C@H]1CCN(c2cccc(Br)c2)C1 ZINC000423088082 500340443 /nfs/dbraw/zinc/34/04/43/500340443.db2.gz PKDVDBBGMZRMLA-UKPHBRMFSA-N 2 0 352.320 3.006 20 0 FGADRP C[C@H](CCc1ccc(I)cc1)[NH2+][C@H](C)C[C@H](C)[NH3+] ZINC000423092659 500341285 /nfs/dbraw/zinc/34/12/85/500341285.db2.gz CVGUMCWMADTYSE-YNEHKIRRSA-N 2 0 360.283 3.328 20 0 FGADRP CCC[N@H+](C)[C@H](CN[C@@H](C1CC1)[C@@H]1C[NH2+]CCO1)c1ccc(Cl)cc1 ZINC000423099291 500341916 /nfs/dbraw/zinc/34/19/16/500341916.db2.gz FIHLAUOHAQKFMI-AABGKKOBSA-N 2 0 365.949 3.080 20 0 FGADRP FC(F)O[C@@H]1CCCC[C@H]1[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423103506 500342271 /nfs/dbraw/zinc/34/22/71/500342271.db2.gz AUCPWSPGUYUIFM-FXRXJOCMSA-N 2 0 352.425 3.382 20 0 FGADRP C[NH+]1CCC(Oc2ccc(CN[C@@H]3C[C@H]([NH3+])c4ccccc43)cc2)CC1 ZINC000423101492 500342382 /nfs/dbraw/zinc/34/23/82/500342382.db2.gz IYLILIVNMLWSGZ-FCHUYYIVSA-N 2 0 351.494 3.394 20 0 FGADRP O=S(=O)(CCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)c1ccc(Cl)cc1 ZINC000423143879 500347976 /nfs/dbraw/zinc/34/79/76/500347976.db2.gz FHNQFJYLTNNYCW-KSZLIROESA-N 2 0 370.946 3.014 20 0 FGADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]C1CCN(Cc2cccc(Br)c2)CC1 ZINC000423173868 500351166 /nfs/dbraw/zinc/35/11/66/500351166.db2.gz AKGBOERMPIMKHV-CRAIPNDOSA-N 2 0 366.347 3.131 20 0 FGADRP FC(F)(F)c1ccc([C@H]2CC[C@H]([NH2+]CCCN3CC[NH2+]CC3)C2)cc1 ZINC000423176983 500351866 /nfs/dbraw/zinc/35/18/66/500351866.db2.gz DGFSBUVMGNNHAT-WMZOPIPTSA-N 2 0 355.448 3.226 20 0 FGADRP C[C@@H]([NH2+]CCCN1CC[NH2+]CC1)c1cccc(OCc2ccccc2)c1 ZINC000423187247 500353208 /nfs/dbraw/zinc/35/32/08/500353208.db2.gz XPNDKYMJRQIWHQ-LJQANCHMSA-N 2 0 353.510 3.212 20 0 FGADRP COc1ccc([C@H]([NH2+]CCCN2CC[NH2+]CC2)c2ccccc2Cl)cc1 ZINC000423195212 500353907 /nfs/dbraw/zinc/35/39/07/500353907.db2.gz YWEZJCIEZZFANA-NRFANRHFSA-N 2 0 373.928 3.323 20 0 FGADRP CCOc1ccc([C@H]([NH2+]CCN2CC[NH2+]CC2)c2ccccc2Cl)cc1 ZINC000423199773 500354858 /nfs/dbraw/zinc/35/48/58/500354858.db2.gz CQMSNNRVSRHUKP-NRFANRHFSA-N 2 0 373.928 3.323 20 0 FGADRP C[NH2+]CCC[NH2+][C@H](C)CC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000423200780 500355038 /nfs/dbraw/zinc/35/50/38/500355038.db2.gz NEDBEAXALZDRNT-SNVBAGLBSA-N 2 0 351.800 3.275 20 0 FGADRP C[C@@H]([NH2+]CC[C@H]1CCC[NH2+]C1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000423265188 500360150 /nfs/dbraw/zinc/36/01/50/500360150.db2.gz ZMZFOSSQYWOCME-IAGOWNOFSA-N 2 0 364.555 3.443 20 0 FGADRP C[N@H+](CCCNC(=O)C(C)(C)[C@H]([NH3+])c1ccccc1)Cc1ccccc1 ZINC000423309479 500363349 /nfs/dbraw/zinc/36/33/49/500363349.db2.gz LLODACSTFBEARL-HXUWFJFHSA-N 2 0 353.510 3.351 20 0 FGADRP C[C@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)c1ccc(I)cc1 ZINC000423322083 500363809 /nfs/dbraw/zinc/36/38/09/500363809.db2.gz GWSMIKDNJWRZCT-SWLSCSKDSA-N 2 0 358.267 3.332 20 0 FGADRP Cc1ccccc1C[NH+]1CCC(NC(=O)[C@H]([NH3+])CC2CCCCC2)CC1 ZINC000423332532 500364417 /nfs/dbraw/zinc/36/44/17/500364417.db2.gz NNNHNDXUSUGCDU-OAQYLSRUSA-N 2 0 357.542 3.373 20 0 FGADRP Cc1cc(NC(=O)[C@@H]2CCC[N@H+](Cc3cccnc3)C2)ccc1C[NH+](C)C ZINC000573422343 506191337 /nfs/dbraw/zinc/19/13/37/506191337.db2.gz ALDFXDLYNWCODI-HXUWFJFHSA-N 2 0 366.509 3.302 20 0 FGADRP C[C@@H]([NH3+])c1ccc(C(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)cc1 ZINC000423356494 500366665 /nfs/dbraw/zinc/36/66/65/500366665.db2.gz JYPIZLSPXGYVFX-HZPDHXFCSA-N 2 0 357.523 3.410 20 0 FGADRP C[C@@H]([NH2+]CC[C@H]1CCC[NH2+]1)c1ccc(F)c(I)c1 ZINC000423355904 500366738 /nfs/dbraw/zinc/36/67/38/500366738.db2.gz IYXGSAUQWJHMRH-ZYHUDNBSSA-N 2 0 362.230 3.223 20 0 FGADRP Fc1ccc([C@@H]2CC[NH2+]C[C@@H]2N[C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)cc1F ZINC000423381836 500369115 /nfs/dbraw/zinc/36/91/15/500369115.db2.gz ZTCLHHMTUYKGPN-OSZJIOELSA-N 2 0 371.475 3.493 20 0 FGADRP C[NH2+]CCc1ccccc1C(=O)Nc1cccc(OCCC[NH+](C)C)c1 ZINC000423410205 500371630 /nfs/dbraw/zinc/37/16/30/500371630.db2.gz RLVUDFIQSVXHPF-UHFFFAOYSA-N 2 0 355.482 3.031 20 0 FGADRP COC[C@@]1(CN[C@H](c2ccc(Br)cc2F)C2CC2)CCC[NH2+]1 ZINC000423408978 500371723 /nfs/dbraw/zinc/37/17/23/500371723.db2.gz BFKDKFXVRKCYTG-IRXDYDNUSA-N 2 0 371.294 3.398 20 0 FGADRP COCC1(C[NH2+][C@@H](C)c2ccc(OC)cc2Br)CC[NH2+]CC1 ZINC000423413119 500372480 /nfs/dbraw/zinc/37/24/80/500372480.db2.gz YELHDAJEAONCEJ-ZDUSSCGKSA-N 2 0 371.319 3.125 20 0 FGADRP COC[C@@]1(CN[C@H]2CCc3cc(Br)cc(C)c32)CCC[NH2+]1 ZINC000423416911 500373039 /nfs/dbraw/zinc/37/30/39/500373039.db2.gz RLYYXHGPTDRGSN-RDJZCZTQSA-N 2 0 353.304 3.103 20 0 FGADRP C[C@H](Cc1ccc(F)cc1Br)[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000423423275 500373715 /nfs/dbraw/zinc/37/37/15/500373715.db2.gz BWRIZZFPWXBRRF-XQAQDONZSA-N 2 0 355.295 3.497 20 0 FGADRP Clc1cc2c(c(Br)c1)CC[C@H]2NC[C@H]1C[NH2+]CCCO1 ZINC000423485282 500378257 /nfs/dbraw/zinc/37/82/57/500378257.db2.gz AYSWLYJZSADYBW-IAQYHMDHSA-N 2 0 359.695 3.058 20 0 FGADRP c1c2c(cc3c1OCCC[C@H]3[NH2+]C1CCC([NH+]3CCNCC3)CC1)CCC2 ZINC000423505407 500379866 /nfs/dbraw/zinc/37/98/66/500379866.db2.gz HRGKXZSTYTYHPA-QETWGEEDSA-N 2 0 369.553 3.195 20 0 FGADRP C[C@H]([NH2+][C@@H](CCC[NH3+])c1ccccc1)c1ccc(NS(C)(=O)=O)cc1 ZINC000423515210 500381356 /nfs/dbraw/zinc/38/13/56/500381356.db2.gz XDKOXUGESOEQRR-KXBFYZLASA-N 2 0 361.511 3.189 20 0 FGADRP CC(=O)NCCc1ccc([C@H](C)[NH2+][C@@H](CCC[NH3+])c2ccccc2)cc1 ZINC000423512495 500381394 /nfs/dbraw/zinc/38/13/94/500381394.db2.gz USSQNQALQMQGJX-JTSKRJEESA-N 2 0 353.510 3.496 20 0 FGADRP CO[C@H](c1ccccc1)[C@H](C)[NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1 ZINC000423540663 500383462 /nfs/dbraw/zinc/38/34/62/500383462.db2.gz ABFSGYYNKZSATL-UGKGYDQZSA-N 2 0 367.537 3.346 20 0 FGADRP NC1(C[NH2+][C@H]2CCCOc3ccccc32)CC[NH+](Cc2ccccc2)CC1 ZINC000423545493 500383747 /nfs/dbraw/zinc/38/37/47/500383747.db2.gz CRTZCHPTMUQFBS-NRFANRHFSA-N 2 0 365.521 3.483 20 0 FGADRP Fc1cccc(Cl)c1CN1CCC([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000423547626 500384096 /nfs/dbraw/zinc/38/40/96/500384096.db2.gz QCPJREKEBGSZIE-HLLBOEOZSA-N 2 0 365.924 3.421 20 0 FGADRP C[N@@H+]1CC[C@@H](NC(=O)Nc2ccc3c(c2F)CC[NH2+]C3)[C@H]1c1ccccc1 ZINC000570546046 506192617 /nfs/dbraw/zinc/19/26/17/506192617.db2.gz VILJNXOFARXORG-UYAOXDASSA-N 2 0 368.456 3.038 20 0 FGADRP CC[NH+](CC)[C@H](C(=O)N1CC[C@@H]([NH3+])[C@H]1C)c1cccc(C(F)(F)F)c1 ZINC000423646322 500391962 /nfs/dbraw/zinc/39/19/62/500391962.db2.gz LTGLNJROWHEQEE-WQVCFCJDSA-N 2 0 357.420 3.036 20 0 FGADRP COc1cccc([C@@H](CNC(=O)C[C@@H](c2ccccc2)[NH+](C)C)[NH+](C)C)c1 ZINC000431560163 500392110 /nfs/dbraw/zinc/39/21/10/500392110.db2.gz YHJCMBFKJBWGAY-LEWJYISDSA-N 2 0 369.509 3.107 20 0 FGADRP C[C@H]([NH2+][C@@H]1COc2ccc(F)cc2C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000579520702 506193570 /nfs/dbraw/zinc/19/35/70/506193570.db2.gz KRPWEROBGIIOOW-KXBFYZLASA-N 2 0 358.457 3.420 20 0 FGADRP CC1(C)CC[C@H](CNC(=O)CCC[NH+]2CCC([NH3+])CC2)c2ccccc21 ZINC000423840433 500410118 /nfs/dbraw/zinc/41/01/18/500410118.db2.gz DXUPJWBFXLNPOD-QGZVFWFLSA-N 2 0 357.542 3.161 20 0 FGADRP C[C@@]1(C(=O)N2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)CCCC[NH2+]1 ZINC000423856580 500413003 /nfs/dbraw/zinc/41/30/03/500413003.db2.gz XBPDSJSFMXMMBY-NRFANRHFSA-N 2 0 355.526 3.033 20 0 FGADRP CC(C)[C@H](C(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1)[C@@H](C)[NH3+] ZINC000423856412 500413219 /nfs/dbraw/zinc/41/32/19/500413219.db2.gz WUWGJFAOIAUCDV-QUCCMNQESA-N 2 0 357.542 3.121 20 0 FGADRP CC[C@@H](C(=O)Nc1nc(C2CC[NH2+]CC2)cs1)[N@H+](C)Cc1ccccc1 ZINC000423981770 500429262 /nfs/dbraw/zinc/42/92/62/500429262.db2.gz XKQXYVWSZLMYSN-SFHVURJKSA-N 2 0 372.538 3.459 20 0 FGADRP C[C@@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)[NH+]1CCC(C[NH3+])CC1 ZINC000420265963 500430655 /nfs/dbraw/zinc/43/06/55/500430655.db2.gz CEOIRYIOEVNPQQ-INIZCTEOSA-N 2 0 353.466 3.477 20 0 FGADRP CCOC(=O)c1c(C)c2ccccc2nc1C[NH+]1CCC(C[NH2+]C)CC1 ZINC000420291794 500434736 /nfs/dbraw/zinc/43/47/36/500434736.db2.gz KWHSWKJTWUBGPP-UHFFFAOYSA-N 2 0 355.482 3.151 20 0 FGADRP COC(=O)c1cccc(-c2nc(C[NH+]3CCC([C@H](C)[NH3+])CC3)cs2)c1 ZINC000420296161 500435573 /nfs/dbraw/zinc/43/55/73/500435573.db2.gz QAODAWHCUDVISE-ZDUSSCGKSA-N 2 0 359.495 3.156 20 0 FGADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](CCOc3cc(F)cc(Br)c3)C[C@H]21 ZINC000420299947 500436361 /nfs/dbraw/zinc/43/63/61/500436361.db2.gz BYHRAXCUBGWFPG-IUIKQTSFSA-N 2 0 357.267 3.026 20 0 FGADRP CCCCSCCC(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000424017032 500437093 /nfs/dbraw/zinc/43/70/93/500437093.db2.gz FOWPVGSRCLBAAK-UHFFFAOYSA-N 2 0 363.571 3.020 20 0 FGADRP COc1ccc([C@@H](C[NH3+])C[N@@H+]2CCC[C@@H]2Cc2ccccc2OC)cc1 ZINC000420313313 500439975 /nfs/dbraw/zinc/43/99/75/500439975.db2.gz XXSOXRVPMIDUAK-VQTJNVASSA-N 2 0 354.494 3.453 20 0 FGADRP O=C(CC[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1)Nc1cccc(C(F)(F)F)c1 ZINC000420333720 500442998 /nfs/dbraw/zinc/44/29/98/500442998.db2.gz IDIAQJUQLCRJPK-KRWDZBQOSA-N 2 0 369.431 3.498 20 0 FGADRP Brc1cccc(OCC[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000420338351 500444050 /nfs/dbraw/zinc/44/40/50/500444050.db2.gz XUYGNTUYAMQKHA-HUUCEWRRSA-N 2 0 353.304 3.149 20 0 FGADRP CC(C)[NH+]1CCC(O)(C[NH2+][C@H]2CCN(Cc3ccccc3)C3(CC3)C2)CC1 ZINC000573445402 506195791 /nfs/dbraw/zinc/19/57/91/506195791.db2.gz XFXFZDYZEZWANW-NRFANRHFSA-N 3 0 371.569 3.009 20 0 FGADRP CCc1cccc(CC)c1NC(=O)[C@H](C)[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420337875 500444165 /nfs/dbraw/zinc/44/41/65/500444165.db2.gz KFOCBANVGPWZKX-PWIZWCRZSA-N 2 0 357.542 3.460 20 0 FGADRP C[C@H](c1ccc(OC(F)(F)F)cc1)[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000420340714 500445095 /nfs/dbraw/zinc/44/50/95/500445095.db2.gz UCASENSZZFAQNL-JLZZUVOBSA-N 2 0 358.404 3.474 20 0 FGADRP CCC[C@H](NC(=O)[C@@H](C)[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1)c1ccccc1 ZINC000420343769 500445260 /nfs/dbraw/zinc/44/52/60/500445260.db2.gz RGPHJMSJRADFNC-QMMLZNLJSA-N 2 0 357.542 3.497 20 0 FGADRP C[C@H](C(=O)Nc1cccc2ncccc21)[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000420343688 500445664 /nfs/dbraw/zinc/44/56/64/500445664.db2.gz ZUSAKHRSKJHLTK-CRAIPNDOSA-N 2 0 352.482 3.026 20 0 FGADRP Fc1ccccc1Oc1ccc(C[N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)cc1F ZINC000420346927 500446378 /nfs/dbraw/zinc/44/63/78/500446378.db2.gz FCLBZDQXJKATKV-KRWDZBQOSA-N 2 0 373.447 3.237 20 0 FGADRP CCCC[NH+]1CCC(NC(=O)N[C@H]2CCCC[C@H]2C[NH+](CC)CC)CC1 ZINC000431953940 500447461 /nfs/dbraw/zinc/44/74/61/500447461.db2.gz OMTZETXCDXCRGK-ICSRJNTNSA-N 2 0 366.594 3.451 20 0 FGADRP Cc1ccc(NC(=O)N2CC[NH+](CC[C@@H]3CCC[NH2+]C3)CC2)cc1Cl ZINC000420364935 500448534 /nfs/dbraw/zinc/44/85/34/500448534.db2.gz RNRXRENYXHLXNX-INIZCTEOSA-N 2 0 364.921 3.188 20 0 FGADRP C[C@@H]([NH2+]C1(C(=O)Nc2ccccc2)CC1)c1cccc(OCC[NH+](C)C)c1 ZINC000427976005 500453419 /nfs/dbraw/zinc/45/34/19/500453419.db2.gz VSBBZHMRURRHQZ-QGZVFWFLSA-N 2 0 367.493 3.449 20 0 FGADRP C[NH+](C)CCN1CCC([NH2+][C@H](Cc2ccncc2)c2cccs2)CC1 ZINC000424265820 500478209 /nfs/dbraw/zinc/47/82/09/500478209.db2.gz KHHSIZSLNPSGKY-LJQANCHMSA-N 2 0 358.555 3.043 20 0 FGADRP C[C@H]1CC2(C[N@@H+]1CCOc1ccccc1Br)CC[NH2+]CC2 ZINC000424292139 500482558 /nfs/dbraw/zinc/48/25/58/500482558.db2.gz OFUAEGZOXDIKSZ-AWEZNQCLSA-N 2 0 353.304 3.292 20 0 FGADRP C[C@@H](CCC[NH3+])[NH2+]Cc1cc(Cl)cc(I)c1 ZINC000424367961 500492695 /nfs/dbraw/zinc/49/26/95/500492695.db2.gz AIDCDMHGTUYUIW-VIFPVBQESA-N 2 0 352.647 3.162 20 0 FGADRP CN(C(=O)c1cccc(C[N@H+](C)Cc2ccccc2)c1)C1CC[NH2+]CC1 ZINC000428312183 500494582 /nfs/dbraw/zinc/49/45/82/500494582.db2.gz VOANPFOAUOXFBX-UHFFFAOYSA-N 2 0 351.494 3.143 20 0 FGADRP Cc1cc(C[NH3+])cc(NC(=O)NC[C@H](C2CC2)[N@H+](C)Cc2ccccc2)c1 ZINC000424429841 500503806 /nfs/dbraw/zinc/50/38/06/500503806.db2.gz XWSSVILNYIPRCQ-OAQYLSRUSA-N 2 0 366.509 3.486 20 0 FGADRP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)NC1CCC([NH+](C)C)CC1 ZINC000420828192 500511236 /nfs/dbraw/zinc/51/12/36/500511236.db2.gz DCPBLFAKCNTILW-CBNMVNINSA-N 2 0 374.573 3.315 20 0 FGADRP C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)NC[C@@H]2CCC[NH2+]C2)c1 ZINC000428597132 500531518 /nfs/dbraw/zinc/53/15/18/500531518.db2.gz QDNBAMCRVOAOPF-HXUWFJFHSA-N 2 0 351.494 3.048 20 0 FGADRP CC(CC[NH+]1CCC[C@@H](CCO)CC1)CC[N@@H+]1CCC[C@@H](CCO)CC1 ZINC000421015989 500555084 /nfs/dbraw/zinc/55/50/84/500555084.db2.gz LXURDWRTLCXYAB-FGZHOGPDSA-N 2 0 368.606 3.372 20 0 FGADRP COc1ccc(C[C@H](C)C[NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)cc1F ZINC000433032795 500609761 /nfs/dbraw/zinc/60/97/61/500609761.db2.gz SDKMMNZVIUITRN-IRXDYDNUSA-N 2 0 352.494 3.103 20 0 FGADRP C[C@@H]1C[N@@H+](Cc2ccccc2C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)C[C@H](C)O1 ZINC000447535290 500619549 /nfs/dbraw/zinc/61/95/49/500619549.db2.gz DZTBZXOJANZEFV-FNCFORQESA-N 2 0 358.526 3.199 20 0 FGADRP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1CCC(=O)Nc1ccccc1Oc1ccccc1 ZINC000442759107 500621043 /nfs/dbraw/zinc/62/10/43/500621043.db2.gz KGBLOTJWSGHTKQ-SJORKVTESA-N 2 0 353.466 3.477 20 0 FGADRP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1CCC(=O)Nc1ccccc1Oc1ccccc1 ZINC000442759101 500621432 /nfs/dbraw/zinc/62/14/32/500621432.db2.gz KGBLOTJWSGHTKQ-DLBZAZTESA-N 2 0 353.466 3.477 20 0 FGADRP CCc1oc2ccccc2c1CN(C)C(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433124116 500631482 /nfs/dbraw/zinc/63/14/82/500631482.db2.gz ZSPNJJUXPPABJJ-UHFFFAOYSA-N 2 0 357.498 3.157 20 0 FGADRP [NH3+]C1CC[NH+](CCCC(=O)Nc2nc(-c3cccs3)cs2)CC1 ZINC000433130487 500632101 /nfs/dbraw/zinc/63/21/01/500632101.db2.gz HXTJLGGMQAXQDQ-UHFFFAOYSA-N 2 0 350.513 3.013 20 0 FGADRP CCCCOc1ccc(OC)cc1NC(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433154096 500635670 /nfs/dbraw/zinc/63/56/70/500635670.db2.gz RZTAEVOARZGYFB-UHFFFAOYSA-N 2 0 363.502 3.016 20 0 FGADRP CCOc1ccc([C@H](C)[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)cc1OCC ZINC000442870613 500636804 /nfs/dbraw/zinc/63/68/04/500636804.db2.gz GGZSIQMLIQTPTK-KRWDZBQOSA-N 2 0 363.546 3.161 20 0 FGADRP [NH3+]CC[C@@H]1CCC[N@H+](Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)C1 ZINC000442917670 500646304 /nfs/dbraw/zinc/64/63/04/500646304.db2.gz BBMZERBJNXGJGO-AWEZNQCLSA-N 2 0 352.404 3.452 20 0 FGADRP C[C@H]1CCCN1C(=O)CC[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433212038 500648577 /nfs/dbraw/zinc/64/85/77/500648577.db2.gz DVRRQUPMOUBADX-FQEVSTJZSA-N 2 0 369.553 3.376 20 0 FGADRP Cc1cc(C(F)(F)F)ccc1C[NH2+]C1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000443005689 500661709 /nfs/dbraw/zinc/66/17/09/500661709.db2.gz XAOKQELCHHBXMB-ZWKOTPCHSA-N 2 0 356.432 3.481 20 0 FGADRP C[C@H](NC(=O)C[N@@H+]1CCC[C@H](CC[NH3+])C1)c1ccc(Cl)cc1Cl ZINC000443072493 500674321 /nfs/dbraw/zinc/67/43/21/500674321.db2.gz NOBGTMINJIRYQL-QWHCGFSZSA-N 2 0 358.313 3.231 20 0 FGADRP C[NH+]1CCC(C[NH2+]Cc2ncc(C(C)(C)C)s2)(N2CCCCC2)CC1 ZINC000447942589 500693355 /nfs/dbraw/zinc/69/33/55/500693355.db2.gz IAPKDLCQBIEGKC-UHFFFAOYSA-N 2 0 364.603 3.481 20 0 FGADRP O=C(NCc1cccc(C[NH+]2CCCC2)c1)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000433558087 500711693 /nfs/dbraw/zinc/71/16/93/500711693.db2.gz AKLYERWYNGFWCM-OAQYLSRUSA-N 2 0 370.541 3.099 20 0 FGADRP COc1ccc([C@@H](CNc2cc[nH+]c3ccccc23)[NH+](C)C)cc1OC ZINC000443444936 500725812 /nfs/dbraw/zinc/72/58/12/500725812.db2.gz PVUIXPAQYRKYIZ-LJQANCHMSA-N 2 0 351.450 3.389 20 0 FGADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)NC[C@H]2CCC[NH+]2C2CCCCC2)C1 ZINC000438159874 500747952 /nfs/dbraw/zinc/74/79/52/500747952.db2.gz UMDBZKIEPNYZOT-UYAOXDASSA-N 2 0 364.578 3.157 20 0 FGADRP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)NC[C@H]1CCC[NH+]1C1CCCCC1 ZINC000438327295 500770434 /nfs/dbraw/zinc/77/04/34/500770434.db2.gz LNUFYWKQQPZGQZ-AZUAARDMSA-N 2 0 364.578 3.299 20 0 FGADRP CCC[NH+]1CCC(N(C)C(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)CC1 ZINC000438343722 500773812 /nfs/dbraw/zinc/77/38/12/500773812.db2.gz DBWGHLOJAQULBG-HXUWFJFHSA-N 2 0 364.578 3.299 20 0 FGADRP CN1CC[N@H+](C)C[C@@H]1CNc1cc[nH+]c2ccc(Oc3ccccc3)cc12 ZINC000434099712 500795153 /nfs/dbraw/zinc/79/51/53/500795153.db2.gz KKIIOUAVUMEGPD-KRWDZBQOSA-N 2 0 362.477 3.107 20 0 FGADRP O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000438571823 500803229 /nfs/dbraw/zinc/80/32/29/500803229.db2.gz BFKPROQUCDEGNR-LEWJYISDSA-N 2 0 355.526 3.347 20 0 FGADRP C[C@H]1[NH2+]CCC[C@H]1NC(=O)c1cccc(C[N@H+](C)Cc2ccccc2)c1 ZINC000434709837 500882348 /nfs/dbraw/zinc/88/23/48/500882348.db2.gz VXTTVBNNSMSLMT-DYESRHJHSA-N 2 0 351.494 3.189 20 0 FGADRP C[C@H](C[NH2+]Cc1ccc(C[NH+](C)C)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000449064618 500915802 /nfs/dbraw/zinc/91/58/02/500915802.db2.gz VIZAONJUAJXQOK-MRXNPFEDSA-N 2 0 360.523 3.045 20 0 FGADRP COc1cc2ccccc2cc1C[NH2+]C[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000449072990 500917771 /nfs/dbraw/zinc/91/77/71/500917771.db2.gz HDOXSNASXBFBCP-OAQYLSRUSA-N 2 0 355.526 3.210 20 0 FGADRP OCC[NH+]1CCC(C[NH2+][C@H]2CCC[C@@H]2Cc2ccc(Cl)cc2)CC1 ZINC000449120210 500929643 /nfs/dbraw/zinc/92/96/43/500929643.db2.gz CGZIGSRQSRBVKI-QUCCMNQESA-N 2 0 350.934 3.345 20 0 FGADRP COc1nccnc1C[NH2+]CCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000449120515 500930015 /nfs/dbraw/zinc/93/00/15/500930015.db2.gz DFBVPMWSUSSSIH-UHFFFAOYSA-N 2 0 368.525 3.310 20 0 FGADRP COc1ccc(-n2cc(C[NH2+]Cc3ccc(F)c(C[NH+](C)C)c3)cn2)cc1 ZINC000449156567 500936465 /nfs/dbraw/zinc/93/64/65/500936465.db2.gz SKNPMVCZLCPFMG-UHFFFAOYSA-N 2 0 368.456 3.371 20 0 FGADRP CC[C@H]1C[C@@H]([NH2+]Cc2c(Cl)cccc2N2CC[NH+](C)CC2)CCO1 ZINC000449166671 500938921 /nfs/dbraw/zinc/93/89/21/500938921.db2.gz FMQDENQBEYIVFO-HOTGVXAUSA-N 2 0 351.922 3.139 20 0 FGADRP C[C@H](C[NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1cc(F)cc(F)c1 ZINC000449233773 500953895 /nfs/dbraw/zinc/95/38/95/500953895.db2.gz MZIIQRDZJRQHDX-QVKFZJNVSA-N 2 0 360.448 3.425 20 0 FGADRP COc1ccc(C(=O)Nc2cccc(C[N@@H+]3CC[C@H]([C@H](C)[NH3+])C3)c2)cc1 ZINC000435370232 500961575 /nfs/dbraw/zinc/96/15/75/500961575.db2.gz IBIYOHVLUZOXSH-YJBOKZPZSA-N 2 0 353.466 3.117 20 0 FGADRP Cc1cccn2cc(COc3ccc(C[N@H+]4C[C@@H](C[NH3+])C[C@H]4C)cc3)nc12 ZINC000435375408 500962388 /nfs/dbraw/zinc/96/23/88/500962388.db2.gz UXIRBTGNXWXYOW-IEBWSBKVSA-N 2 0 364.493 3.391 20 0 FGADRP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1cn(Cc2ccccc2)nc1-c1cccnc1 ZINC000435373666 500962613 /nfs/dbraw/zinc/96/26/13/500962613.db2.gz NWZLTAQILDHRET-PKOBYXMFSA-N 2 0 361.493 3.163 20 0 FGADRP C[C@H]([NH3+])[C@@H]1CCC[N@H+](Cc2cn(-c3ccccc3)nc2-c2ccncc2)C1 ZINC000435387050 500965826 /nfs/dbraw/zinc/96/58/26/500965826.db2.gz WPKBWLTWZDYLFZ-PKOBYXMFSA-N 2 0 361.493 3.494 20 0 FGADRP CCC[N@H+](CCN1CC[NH+](CC)CC1)C[C@@H](C)c1cc(F)cc(F)c1 ZINC000449330024 500979567 /nfs/dbraw/zinc/97/95/67/500979567.db2.gz REKQULPBZDUSLL-QGZVFWFLSA-N 2 0 353.501 3.418 20 0 FGADRP Cc1ncsc1C[N@H+](C[C@@H](C)CC1CCOCC1)C[C@H]1CC[NH2+]C1 ZINC000435449756 500980221 /nfs/dbraw/zinc/98/02/21/500980221.db2.gz VTOKXHKOJGXVFU-YJBOKZPZSA-N 2 0 351.560 3.316 20 0 FGADRP COc1ncccc1CC[NH2+]C1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000449336469 500981356 /nfs/dbraw/zinc/98/13/56/500981356.db2.gz NQARYFFOSIJIIL-SFHVURJKSA-N 2 0 353.510 3.318 20 0 FGADRP CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2C(C)C ZINC000440182954 500985086 /nfs/dbraw/zinc/98/50/86/500985086.db2.gz FFWHSHODRFVBCF-AQNXPRMDSA-N 2 0 364.578 3.154 20 0 FGADRP C[C@H]([NH2+][C@@H]1CCO[C@@H](c2cncn2C)C1)c1nc(C(F)(F)F)cs1 ZINC000435538782 500989506 /nfs/dbraw/zinc/98/95/06/500989506.db2.gz YVXLNLBELTXTCD-HOSYDEDBSA-N 2 0 360.405 3.466 20 0 FGADRP CCN(CC(=O)N[C@@H](c1cccs1)C(C)(C)C)[C@H]1CCC[NH2+]CC1 ZINC000435615641 501002622 /nfs/dbraw/zinc/00/26/22/501002622.db2.gz ILOOEONGHJXSKG-YJBOKZPZSA-N 2 0 351.560 3.416 20 0 FGADRP CN(c1ccccc1C[N@H+](C)[C@H](CO)c1ccccc1)C1CC[NH+](C)CC1 ZINC000449456873 501007309 /nfs/dbraw/zinc/00/73/09/501007309.db2.gz TVQAGRPACRCMMT-HSZRJFAPSA-N 2 0 367.537 3.382 20 0 FGADRP CCn1ccnc1C[N@H+](CCCc1ccccc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435680134 501010819 /nfs/dbraw/zinc/01/08/19/501010819.db2.gz CBBBEYZFBWOXDO-HXUWFJFHSA-N 2 0 352.526 3.480 20 0 FGADRP CC(=O)N1CCC[N@H+](C[C@@H]2CCCN(Cc3ccc4occc4c3)C2)CC1 ZINC000449508199 501021041 /nfs/dbraw/zinc/02/10/41/501021041.db2.gz UQVDZLMMCWSFHW-FQEVSTJZSA-N 2 0 369.509 3.199 20 0 FGADRP Fc1ccc(-c2cn3c(n2)CC[C@H]([NH2+][C@@H]2CC[N@@H+]4CCC[C@@H]4C2)C3)c(F)c1 ZINC000449548438 501030471 /nfs/dbraw/zinc/03/04/71/501030471.db2.gz NHYRWEMDCXTTIW-IXDOHACOSA-N 2 0 372.463 3.360 20 0 FGADRP C[C@@H](C(=O)N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1)[NH+]1[C@@H](C)CC[C@@H]1C ZINC000440670722 501037248 /nfs/dbraw/zinc/03/72/48/501037248.db2.gz NQNKIGANCCSFEX-FYQPLNBISA-N 2 0 357.542 3.371 20 0 FGADRP CC(C)[NH+]1CCC(N2CC[NH+](CCO[C@@H]3CCCC[C@@H]3C)CC2)CC1 ZINC000441043151 501078784 /nfs/dbraw/zinc/07/87/84/501078784.db2.gz SQVOUINHHZBKHR-PZJWPPBQSA-N 2 0 351.579 3.072 20 0 FGADRP CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1([NH3+])C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000446266011 501096261 /nfs/dbraw/zinc/09/62/61/501096261.db2.gz SXAXUZIXMYPJEG-NNMXDRDESA-N 2 0 371.525 3.144 20 0 FGADRP O=C(NCc1ccccc1C[NH+]1CCCCCC1)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000436284082 501101888 /nfs/dbraw/zinc/10/18/88/501101888.db2.gz LADQMBLCNXVMNP-IFMALSPDSA-N 2 0 355.526 3.069 20 0 FGADRP c1cncc(C[NH+]2CCC(NC[C@@H]3CCC[N@@H+]3C3CCCCC3)CC2)c1 ZINC000436288095 501102162 /nfs/dbraw/zinc/10/21/62/501102162.db2.gz UVRNHYBKBGZGIX-QFIPXVFZSA-N 2 0 356.558 3.433 20 0 FGADRP COC[C@H]([NH2+]CCCC[NH+]1CCN(c2ccccc2)CC1)C1CCCC1 ZINC000446750656 501161038 /nfs/dbraw/zinc/16/10/38/501161038.db2.gz HOXNPQJXTNLPMP-QFIPXVFZSA-N 2 0 359.558 3.384 20 0 FGADRP CC[NH+](CC)CCOc1ccccc1NC(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000607721815 506237975 /nfs/dbraw/zinc/23/79/75/506237975.db2.gz VDAPBCUJGQUSAS-IRXDYDNUSA-N 2 0 362.518 3.011 20 0 FGADRP CC[C@@H]([NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1)c1cccc(F)c1 ZINC000446839149 501171349 /nfs/dbraw/zinc/17/13/49/501171349.db2.gz PUUBRPGQKRGOGG-OAQYLSRUSA-N 2 0 356.489 3.474 20 0 FGADRP Cc1cc(N2CCC[C@H]([NH2+]C3CC[NH+]([C@H]4CCC[C@H](C)C4)CC3)C2)n(C)n1 ZINC000446840292 501171661 /nfs/dbraw/zinc/17/16/61/501171661.db2.gz YJXIHSANLARZRK-YYWHXJBOSA-N 2 0 373.589 3.330 20 0 FGADRP Cn1nccc1N1CCC[C@@H]([NH2+]CC(C)(C)C[N@H+](C)Cc2ccccc2)C1 ZINC000447094189 501204609 /nfs/dbraw/zinc/20/46/09/501204609.db2.gz PSNFMKBXCFATOP-HXUWFJFHSA-N 2 0 369.557 3.137 20 0 FGADRP COC[C@]1(C)CC[NH+](Cc2cccc(C[N@H+]3CC[C@@](C)(COC)C3)c2)C1 ZINC000451201474 501251609 /nfs/dbraw/zinc/25/16/09/501251609.db2.gz KEMHKKDTBFVUKY-FGZHOGPDSA-N 2 0 360.542 3.403 20 0 FGADRP C[C@H](CN1CCCC1=O)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000453083740 501265126 /nfs/dbraw/zinc/26/51/26/501265126.db2.gz GHGYGSOKLWPCGD-WLRLJWMZSA-N 2 0 355.526 3.030 20 0 FGADRP Cc1noc(CCC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)n1 ZINC000453156870 501280892 /nfs/dbraw/zinc/28/08/92/501280892.db2.gz HXOUHMFYFVGOEM-AQNXPRMDSA-N 2 0 354.498 3.343 20 0 FGADRP c1cn2c(n1)C[C@H]([NH2+][C@H]1CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@H]31)CC2 ZINC000453205237 501290823 /nfs/dbraw/zinc/29/08/23/501290823.db2.gz SXQSUXBBFMRAKG-IVAOSVALSA-N 2 0 350.510 3.231 20 0 FGADRP CC[C@H](CNC(=O)NC(C)(C)CCC[NH+](C)C)[N@@H+]1CCc2ccccc2C1 ZINC000457705442 501291723 /nfs/dbraw/zinc/29/17/23/501291723.db2.gz ZJHAMTANGCJLHK-HXUWFJFHSA-N 2 0 374.573 3.243 20 0 FGADRP C[C@H]1CCCC[C@H]1[NH+]1CCC([N@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)CC1 ZINC000453277352 501306056 /nfs/dbraw/zinc/30/60/56/501306056.db2.gz JEFVEFOGSUMPJD-CTAFRAEOSA-N 2 0 369.553 3.311 20 0 FGADRP CC(=O)N1CCCN(C[C@H]2CCC[N@H+](C[C@@H]3CCCCC3(F)F)C2)CC1 ZINC000451533213 501314934 /nfs/dbraw/zinc/31/49/34/501314934.db2.gz VRBOMMAULMNOTG-MOPGFXCFSA-N 2 0 371.516 3.078 20 0 FGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+][C@@H]2CCO[C@@H](c3ccccn3)C2)[C@@H](C)C1 ZINC000453385961 501323639 /nfs/dbraw/zinc/32/36/39/501323639.db2.gz VJXGRVDMPOKOMD-QEUVDIPISA-N 2 0 361.530 3.028 20 0 FGADRP C[C@@H]1CN(C(=O)NCCCC[NH+](C)C2CC2)CC[N@H+](Cc2ccccc2)C1 ZINC000455607775 501346105 /nfs/dbraw/zinc/34/61/05/501346105.db2.gz JKITWEWDZLIJLM-IBGZPJMESA-N 2 0 372.557 3.024 20 0 FGADRP C[NH+](C)[C@H]1CCc2cc(NC(=O)N3CC[C@]4(C3)CCC[N@H+](C)C4)ccc21 ZINC000455864516 501402260 /nfs/dbraw/zinc/40/22/60/501402260.db2.gz SYYXJAJUFQVAGU-PZJWPPBQSA-N 2 0 356.514 3.185 20 0 FGADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000455909079 501412783 /nfs/dbraw/zinc/41/27/83/501412783.db2.gz ILDAXIYQKVXYHC-GQIGUUNPSA-N 2 0 358.530 3.477 20 0 FGADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)C1 ZINC000455923573 501416764 /nfs/dbraw/zinc/41/67/64/501416764.db2.gz MNSSGFCIBQCWHP-OXQOHEQNSA-N 2 0 358.530 3.335 20 0 FGADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)C1 ZINC000455923575 501416872 /nfs/dbraw/zinc/41/68/72/501416872.db2.gz MNSSGFCIBQCWHP-UZLBHIALSA-N 2 0 358.530 3.335 20 0 FGADRP C[NH+](C)[C@H]1CCc2cc(NC(=O)N3CCC[C@H]3C[NH+]3CCCC3)ccc21 ZINC000455950527 501424035 /nfs/dbraw/zinc/42/40/35/501424035.db2.gz ZRTBGNUBOBKNHF-ICSRJNTNSA-N 2 0 356.514 3.328 20 0 FGADRP CC[C@@H](C)[NH+]1CCN(C(=O)NC2CC[NH+]([C@H](C)c3ccccc3)CC2)CC1 ZINC000458395134 501435229 /nfs/dbraw/zinc/43/52/29/501435229.db2.gz CCIIVGFLVBCYEV-RTBURBONSA-N 2 0 372.557 3.338 20 0 FGADRP CC[C@H](C)[NH+]1CCN(C(=O)NC2CC[NH+]([C@@H](C)c3ccccc3)CC2)CC1 ZINC000458395130 501435458 /nfs/dbraw/zinc/43/54/58/501435458.db2.gz CCIIVGFLVBCYEV-OALUTQOASA-N 2 0 372.557 3.338 20 0 FGADRP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)NCC[C@@H](C)[NH+](C)Cc2ccccc2)C1 ZINC000458505989 501461158 /nfs/dbraw/zinc/46/11/58/501461158.db2.gz NGJGPTOUIHSMFP-UYAOXDASSA-N 2 0 360.546 3.021 20 0 FGADRP CC[N@H+](CCNC(=O)NCC1([NH+]2CCCCC2)CCCCC1)C(C)C ZINC000588273244 506256252 /nfs/dbraw/zinc/25/62/52/506256252.db2.gz BGELNWOJVLQLSE-UHFFFAOYSA-N 2 0 352.567 3.205 20 0 FGADRP C[C@@H](NC(=O)NC(C)(C)CCC[NH+](C)C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000458670740 501504027 /nfs/dbraw/zinc/50/40/27/501504027.db2.gz IJUDKDCSGYAYRL-UYAOXDASSA-N 2 0 374.573 3.317 20 0 FGADRP Cc1ccccc1[C@H]([C@@H](C)NC(=O)N(C)[C@H]1CC[N@@H+](C(C)C)C1)[NH+](C)C ZINC000458788393 501531775 /nfs/dbraw/zinc/53/17/75/501531775.db2.gz YCBHJNPITLCBCS-HBFSDRIKSA-N 2 0 360.546 3.110 20 0 FGADRP C[N@H+](Cc1ccccc1)C1(CNC(=O)NCC2(C)CC[NH+](C)CC2)CCC1 ZINC000458974807 501568840 /nfs/dbraw/zinc/56/88/40/501568840.db2.gz MUXRKWRGYKUSCA-UHFFFAOYSA-N 2 0 372.557 3.072 20 0 FGADRP C[C@@H]1CN(C(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)C[C@H](C)[N@H+]1C ZINC000454541676 501573318 /nfs/dbraw/zinc/57/33/18/501573318.db2.gz BPLKLIJNVUJMLJ-HDICACEKSA-N 2 0 358.530 3.271 20 0 FGADRP C[N@H+](CCCCNC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1)C1CC1 ZINC000459149667 501603847 /nfs/dbraw/zinc/60/38/47/501603847.db2.gz GSMYGXRPARFKCJ-LJQANCHMSA-N 2 0 364.578 3.158 20 0 FGADRP C[N@H+](CCCCNC(=O)N1CC[NH+](Cc2ccccc2)C(C)(C)C1)C1CC1 ZINC000459157096 501605363 /nfs/dbraw/zinc/60/53/63/501605363.db2.gz MBBSASCJNKLXLZ-UHFFFAOYSA-N 2 0 372.557 3.167 20 0 FGADRP CC[NH+](CC)CCCC1CCN(C(=O)NCc2ccc3c[nH+]cn3c2)CC1 ZINC000459198054 501612026 /nfs/dbraw/zinc/61/20/26/501612026.db2.gz HPKKDUSMJWCKHR-UHFFFAOYSA-N 2 0 371.529 3.378 20 0 FGADRP C[C@H](NC(=O)NCCCC[N@H+](C)C1CC1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000454760924 501623755 /nfs/dbraw/zinc/62/37/55/501623755.db2.gz DOTQLIZFEWZWHT-ICSRJNTNSA-N 2 0 372.557 3.071 20 0 FGADRP O[C@]1(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)CCC[C@@H](C(F)(F)F)C1 ZINC000459518441 501668267 /nfs/dbraw/zinc/66/82/67/501668267.db2.gz RIUILFXHEIFIQS-RHSMWYFYSA-N 2 0 357.420 3.124 20 0 FGADRP COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000459729701 501705207 /nfs/dbraw/zinc/70/52/07/501705207.db2.gz DKSWALJXUABSSG-LSDHHAIUSA-N 2 0 367.921 3.387 20 0 FGADRP CCc1ccc([C@@H](CNC(=O)NC(C)(C)CCC[NH+](C)C)[NH+](C)C)cc1 ZINC000457480850 501706776 /nfs/dbraw/zinc/70/67/76/501706776.db2.gz NYVYKBCNQJPBEF-LJQANCHMSA-N 2 0 362.562 3.271 20 0 FGADRP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000457535061 501718249 /nfs/dbraw/zinc/71/82/49/501718249.db2.gz SVQQFTBOVPSATN-NRFANRHFSA-N 2 0 372.557 3.297 20 0 FGADRP C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)NC2CC([NH+]3CCCCC3)C2)C1 ZINC000474186089 501735393 /nfs/dbraw/zinc/73/53/93/501735393.db2.gz TXXWQIPSLFBMTB-YXWAVELNSA-N 2 0 364.578 3.059 20 0 FGADRP CO[C@H]1C[N@H+](Cc2cccc(C[NH+]3CC[C@@H](C)[C@H](OC)C3)c2)CC[C@@H]1C ZINC000467290337 501760274 /nfs/dbraw/zinc/76/02/74/501760274.db2.gz IECUIIULYWIBNO-VVIORFSUSA-N 2 0 360.542 3.400 20 0 FGADRP C[NH+](C)CCCC1CC[NH+](Cc2ccc(Cl)cc2-n2cncn2)CC1 ZINC000474260389 501764869 /nfs/dbraw/zinc/76/48/69/501764869.db2.gz STCNWLCWKSJXAX-UHFFFAOYSA-N 2 0 361.921 3.475 20 0 FGADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000467342069 501773612 /nfs/dbraw/zinc/77/36/12/501773612.db2.gz HZBSEXUNVATHBP-HOTGVXAUSA-N 2 0 357.464 3.252 20 0 FGADRP Cc1ccc(C[C@H](CO)[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)cc1 ZINC000467369507 501778763 /nfs/dbraw/zinc/77/87/63/501778763.db2.gz ZAABKNLYSOMRBX-OLKYXYMISA-N 2 0 364.533 3.399 20 0 FGADRP C[N@@H+]1CCN(C(=O)[C@@H]2CCC[NH+](Cc3ccccc3)C2)C2(CCCCC2)C1 ZINC000467473870 501803528 /nfs/dbraw/zinc/80/35/28/501803528.db2.gz MDBUTOQNWDOVTN-OAQYLSRUSA-N 2 0 369.553 3.376 20 0 FGADRP COc1ccc(NC(=O)CC[N@H+](C)CC[C@H]2CCCC[NH+]2C)cc1Cl ZINC000485425392 501817314 /nfs/dbraw/zinc/81/73/14/501817314.db2.gz DJWOXOWULHGHPY-MRXNPFEDSA-N 2 0 367.921 3.483 20 0 FGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H](C)c2nc(C(F)(F)F)cs2)CC1 ZINC000467747518 501858831 /nfs/dbraw/zinc/85/88/31/501858831.db2.gz UALSFEBIQGGNMJ-CHWSQXEVSA-N 2 0 364.481 3.086 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N1CC[C@@H]([NH+]2CCCC2)[C@@H]1C)CC(C)C ZINC000478198945 501907075 /nfs/dbraw/zinc/90/70/75/501907075.db2.gz BIBITJHGELDGNJ-GBESFXJTSA-N 2 0 352.567 3.011 20 0 FGADRP C[C@H](Cc1ccccc1C(F)(F)F)[NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000481904013 501914042 /nfs/dbraw/zinc/91/40/42/501914042.db2.gz JMPAEEXDOGUDTG-NVXWUHKLSA-N 2 0 358.448 3.319 20 0 FGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H](C)Cc2ccccc2C(F)(F)F)CC1 ZINC000481920529 501919487 /nfs/dbraw/zinc/91/94/87/501919487.db2.gz JJEHRSOKSKRNMN-IAGOWNOFSA-N 2 0 371.491 3.500 20 0 FGADRP COC(=O)C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)[C@@H]1C ZINC000474716797 501932006 /nfs/dbraw/zinc/93/20/06/501932006.db2.gz VMJUMAICUMROFJ-SLYNCCJLSA-N 2 0 374.525 3.229 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@@H](C)c1cccc(Cl)c1 ZINC000460917059 501958614 /nfs/dbraw/zinc/95/86/14/501958614.db2.gz ZNNWGWHTAXLSJI-LPHOPBHVSA-N 2 0 365.949 3.318 20 0 FGADRP CCCN(CC[NH+]1CCCCCC1)C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000460938554 501963940 /nfs/dbraw/zinc/96/39/40/501963940.db2.gz KZGCVXOCVJKAQX-UHFFFAOYSA-N 2 0 366.594 3.404 20 0 FGADRP C[N@H+](CCCNC(=O)NCC(C)(C)C[NH+]1CCCC1)C1CCCCC1 ZINC000478410586 501972405 /nfs/dbraw/zinc/97/24/05/501972405.db2.gz KBWULUYXZZKVRC-UHFFFAOYSA-N 2 0 352.567 3.062 20 0 FGADRP CC[NH+](CC)[C@H](C(=O)NCC1(SC)CC[NH+](C)CC1)c1ccccc1 ZINC000460964729 501972502 /nfs/dbraw/zinc/97/25/02/501972502.db2.gz ABNODUOUTCXEGF-SFHVURJKSA-N 2 0 363.571 3.013 20 0 FGADRP CCN(C(=O)CC1CC[NH+](C)CC1)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000485883481 501975444 /nfs/dbraw/zinc/97/54/44/501975444.db2.gz NXOWYILBFBATHR-GHTZIAJQSA-N 2 0 357.542 3.402 20 0 FGADRP C[C@@H]([NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1)c1ccc2c(c1)CCC2 ZINC000482115208 501978444 /nfs/dbraw/zinc/97/84/44/501978444.db2.gz QTTFRBWDSXGHJG-LJQANCHMSA-N 2 0 364.537 3.433 20 0 FGADRP Cc1ccc2c(c1)[C@H]([NH2+]CCCN1CCN(c3cc[nH+]cc3)CC1)CC2 ZINC000482124114 501982530 /nfs/dbraw/zinc/98/25/30/501982530.db2.gz UIUYLGSBZIFJSA-JOCHJYFZSA-N 2 0 350.510 3.179 20 0 FGADRP O=C(NC1CC[NH+](CC2CCCC2)CC1)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000478483003 501996574 /nfs/dbraw/zinc/99/65/74/501996574.db2.gz ILMKSBVNEVAWOR-LJQANCHMSA-N 2 0 361.574 3.412 20 0 FGADRP C[C@@H](CNC(=O)N(CC[NH+](C)C)C1CCCC1)[N@H+](C)Cc1ccccc1 ZINC000468311490 502021716 /nfs/dbraw/zinc/02/17/16/502021716.db2.gz WKQDLESAMITFSN-SFHVURJKSA-N 2 0 360.546 3.023 20 0 FGADRP Cc1ccccc1[C@H]1CC[N@@H+](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000475037318 502029093 /nfs/dbraw/zinc/02/90/93/502029093.db2.gz CSHLLXHTDMRUNB-UNMCSNQZSA-N 2 0 365.521 3.203 20 0 FGADRP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475098627 502057226 /nfs/dbraw/zinc/05/72/26/502057226.db2.gz TZPNJRXJOSOZKB-SFHLNBCPSA-N 2 0 372.557 3.165 20 0 FGADRP c1cc2c(s1)CCC[C@@H]2[NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000482453684 502072595 /nfs/dbraw/zinc/07/25/95/502072595.db2.gz CSOLCKJTKJQZBG-SFHVURJKSA-N 2 0 371.554 3.108 20 0 FGADRP COc1ccc2oc([C@H](C)[NH2+][C@H](C)CCN3CC[NH+](C)CC3)c(C)c2c1 ZINC000471582222 502073140 /nfs/dbraw/zinc/07/31/40/502073140.db2.gz UFOPLSFLOQIPJX-WBVHZDCISA-N 2 0 359.514 3.426 20 0 FGADRP C[C@@H](CNC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCC[C@@H](C)C1 ZINC000475136781 502075051 /nfs/dbraw/zinc/07/50/51/502075051.db2.gz PFKHECVAVBNQOT-DYXWJJEUSA-N 2 0 372.557 3.023 20 0 FGADRP CCN(C(=O)NCC[NH+]1CCC[C@@H](C)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475169116 502089172 /nfs/dbraw/zinc/08/91/72/502089172.db2.gz JPLFAYIQHIDAPU-CTNGQTDRSA-N 2 0 372.557 3.024 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCc2ccc(OC)c(F)c2)[C@H](C)C1 ZINC000482531792 502102711 /nfs/dbraw/zinc/10/27/11/502102711.db2.gz JOYXJOAPJGPURF-APWZRJJASA-N 2 0 352.494 3.103 20 0 FGADRP C[NH+](C)CCOCC[NH2+]Cc1ccc(Br)cc1C(F)(F)F ZINC000478920732 502121112 /nfs/dbraw/zinc/12/11/12/502121112.db2.gz GTNNWMJLAQIHEY-UHFFFAOYSA-N 2 0 369.225 3.136 20 0 FGADRP O=C(NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1)c1ccc2c[nH+]cn2c1 ZINC000461464844 502124524 /nfs/dbraw/zinc/12/45/24/502124524.db2.gz BVVZOSYQPLFNEH-LJQANCHMSA-N 2 0 362.477 3.366 20 0 FGADRP C[C@@H](CC[N@@H+]1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1)OCc1ccccc1 ZINC000475320517 502133585 /nfs/dbraw/zinc/13/35/85/502133585.db2.gz JXNFNIGSGXINBK-PMACEKPBSA-N 2 0 359.558 3.082 20 0 FGADRP C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000482634273 502134145 /nfs/dbraw/zinc/13/41/45/502134145.db2.gz SFQCDRUXFLOTDB-KJNZLNQQSA-N 2 0 357.542 3.298 20 0 FGADRP CCCC[N@H+](C)CC1CCN(C(=O)NCC(C)(C)C[NH+]2CCCC2)CC1 ZINC000479061468 502150761 /nfs/dbraw/zinc/15/07/61/502150761.db2.gz NSWCUVXZXFVFTQ-UHFFFAOYSA-N 2 0 366.594 3.262 20 0 FGADRP CC[NH+](CC)[C@@H]1CCN(C(=O)[C@@H](C)[NH+]2CCC(Cc3ccccc3)CC2)C1 ZINC000464965037 502159321 /nfs/dbraw/zinc/15/93/21/502159321.db2.gz UASIDNWLZHKWMN-DENIHFKCSA-N 2 0 371.569 3.272 20 0 FGADRP CC(C)[C@@H]1CN(C(=O)N[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)CC[N@@H+]1C ZINC000486496506 502171540 /nfs/dbraw/zinc/17/15/40/502171540.db2.gz QTFWEMQIFCAELG-NRSPTQNISA-N 2 0 372.557 3.021 20 0 FGADRP Cc1c([C@@H](C)[NH2+]Cc2ccc(CN3CCOCC3)cc2)cnn1C(C)C ZINC000468811778 502191575 /nfs/dbraw/zinc/19/15/75/502191575.db2.gz DIPHGXILPIPQDM-QGZVFWFLSA-N 2 0 356.514 3.455 20 0 FGADRP C[C@H]1C[C@H](NC(=O)c2ccccc2C[NH+](C)C)C[N@@H+]1Cc1ccccc1 ZINC000486643307 502218149 /nfs/dbraw/zinc/21/81/49/502218149.db2.gz VXKVKJCCZUIXCQ-PXNSSMCTSA-N 2 0 351.494 3.141 20 0 FGADRP C[C@H](CNC(=O)N[C@H](C)[C@@H](c1ccccc1)[NH+](C)C)[N@@H+]1CCC[C@@H](C)C1 ZINC000479395516 502246272 /nfs/dbraw/zinc/24/62/72/502246272.db2.gz UTIFXVWPRKQQLX-MLYOOKFZSA-N 2 0 360.546 3.097 20 0 FGADRP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)N(CC[NH+](C)C)CC2CCCCC2)C1 ZINC000465396174 502249065 /nfs/dbraw/zinc/24/90/65/502249065.db2.gz DCTYJHHNIWBLLZ-FQEVSTJZSA-N 2 0 366.594 3.118 20 0 FGADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)NC[C@@H](c2ccccc2)[NH+](CC)CC)C1 ZINC000465434090 502260740 /nfs/dbraw/zinc/26/07/40/502260740.db2.gz PHJKTMIBUCFDOV-CTNGQTDRSA-N 2 0 374.573 3.443 20 0 FGADRP C[NH+](C)CCOCC[NH2+][C@H]1CC(C)(C)c2ccc(Br)cc21 ZINC000479448977 502262952 /nfs/dbraw/zinc/26/29/52/502262952.db2.gz GIZASSSVWUJEPV-INIZCTEOSA-N 2 0 355.320 3.339 20 0 FGADRP CC(C)[N@@H+](C)C[C@H](C)NC(=O)N(C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000462016567 502275666 /nfs/dbraw/zinc/27/56/66/502275666.db2.gz RKNIZDIFIGXRKI-QKNQBKEWSA-N 2 0 374.573 3.410 20 0 FGADRP CCCC[N@H+](C)C[C@@H](C)NC(=O)N1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000462015524 502275808 /nfs/dbraw/zinc/27/58/08/502275808.db2.gz QABUDIRPPLPJRE-VAMGGRTRSA-N 2 0 366.594 3.403 20 0 FGADRP CC[C@H](C)[N@H+](C)CCNC(=O)N1CCC(CC[NH+]2CCCC[C@@H]2C)CC1 ZINC000479526241 502285930 /nfs/dbraw/zinc/28/59/30/502285930.db2.gz KRJOEPVCVCSBRF-OALUTQOASA-N 2 0 366.594 3.403 20 0 FGADRP O=C(NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC000483147792 502291091 /nfs/dbraw/zinc/29/10/91/502291091.db2.gz CMCVUEGDBJTRQL-IRLDBZIGSA-N 2 0 369.553 3.422 20 0 FGADRP C[C@@H]1CCC[N@H+](CCNC(=O)N2CC[C@@H](C)[NH+](Cc3ccccc3)CC2)C1 ZINC000465534704 502294036 /nfs/dbraw/zinc/29/40/36/502294036.db2.gz SOHKJXFVQWXWBE-WOJBJXKFSA-N 2 0 372.557 3.024 20 0 FGADRP CC[NH+]1CCC(CCNC(=O)NC[C@@H](C(C)C)[NH+]2CCC(C)CC2)CC1 ZINC000465537523 502296850 /nfs/dbraw/zinc/29/68/50/502296850.db2.gz HDLBPIWYNVIDPF-FQEVSTJZSA-N 2 0 366.594 3.164 20 0 FGADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](CCC(=O)Nc2ccccc2Cl)C1 ZINC000472295439 502303862 /nfs/dbraw/zinc/30/38/62/502303862.db2.gz RDUPTKKMMLVTBC-MRXNPFEDSA-N 2 0 367.921 3.101 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)NCc1ccccc1C[NH+]1CCC[C@@H](C)C1 ZINC000465579871 502314090 /nfs/dbraw/zinc/31/40/90/502314090.db2.gz VUYVGICNONQHCE-WIYYLYMNSA-N 2 0 372.557 3.202 20 0 FGADRP CC[NH+](CC)[C@H]1CCN(C(=O)NCc2ccccc2C[NH+]2CCCCC2)C1 ZINC000465596908 502320053 /nfs/dbraw/zinc/32/00/53/502320053.db2.gz LLODQQWWLXUMFS-NRFANRHFSA-N 2 0 372.557 3.298 20 0 FGADRP CC1CC[NH+](CCCCNC(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)CC1 ZINC000465614074 502325601 /nfs/dbraw/zinc/32/56/01/502325601.db2.gz YGNCYGJNVJYBSN-FQEVSTJZSA-N 2 0 364.578 3.062 20 0 FGADRP CC[C@H](CNC(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@@H+]1CC)c1ccccc1 ZINC000465630684 502331801 /nfs/dbraw/zinc/33/18/01/502331801.db2.gz LZKVMKSXTLZTLD-TZIWHRDSSA-N 2 0 374.573 3.238 20 0 FGADRP CC[C@H](CNC(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@@H+]1CC)c1ccccc1 ZINC000465630679 502331835 /nfs/dbraw/zinc/33/18/35/502331835.db2.gz LZKVMKSXTLZTLD-CTNGQTDRSA-N 2 0 374.573 3.238 20 0 FGADRP O=C(c1ccc(Cl)cc1Cl)N1CC[NH+](CCC2CC[NH2+]CC2)CC1 ZINC000479694244 502347278 /nfs/dbraw/zinc/34/72/78/502347278.db2.gz QCRWTUMWYUNXBE-UHFFFAOYSA-N 2 0 370.324 3.141 20 0 FGADRP O=C(NC1CC[NH+](C2CCCCC2)CC1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000476005525 502356219 /nfs/dbraw/zinc/35/62/19/502356219.db2.gz MBGHXZRBLDITEO-FQEVSTJZSA-N 2 0 362.562 3.053 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H](C)[C@@H](C)c1ccccc1 ZINC000476010600 502357460 /nfs/dbraw/zinc/35/74/60/502357460.db2.gz KGGBILDORSNZTE-SFHLNBCPSA-N 2 0 374.573 3.236 20 0 FGADRP CC1CC[NH+]([C@H](CNC(=O)N[C@H]2CC[N@H+](C)[C@@H](C)C2)c2ccccc2)CC1 ZINC000465721455 502359829 /nfs/dbraw/zinc/35/98/29/502359829.db2.gz KGYFMGUKBQXRQJ-SESVDKBCSA-N 2 0 372.557 3.242 20 0 FGADRP CCC(C)(C)[NH2+][C@H](C)C(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000476029009 502362761 /nfs/dbraw/zinc/36/27/61/502362761.db2.gz DBENCXZGQRMDCF-MRXNPFEDSA-N 2 0 355.592 3.021 20 0 FGADRP CC[NH+](CC)[C@@H]1CCN(C(=O)NC[C@@H]2CCCC[N@@H+]2Cc2ccccc2)C1 ZINC000465772968 502379340 /nfs/dbraw/zinc/37/93/40/502379340.db2.gz QYUMKFDPIOPYIV-LEWJYISDSA-N 2 0 372.557 3.167 20 0 FGADRP CC[NH+](CC)CCC[NH2+]C(C)(C)COc1ncccc1Br ZINC000472588754 502393349 /nfs/dbraw/zinc/39/33/49/502393349.db2.gz LCLCJXJEEYLFGH-UHFFFAOYSA-N 2 0 358.324 3.323 20 0 FGADRP CC[N@H+](CCNC(=O)NC[C@@H]1CCC[NH+](C)[C@@H]1c1cccs1)C(C)C ZINC000465837352 502398989 /nfs/dbraw/zinc/39/89/89/502398989.db2.gz OHPWWIQYAHWODI-WMZOPIPTSA-N 2 0 366.575 3.161 20 0 FGADRP C[NH+](C)CCOc1cccc(NC(=O)NC2CC[NH+](C3CCCC3)CC2)c1 ZINC000483481826 502405286 /nfs/dbraw/zinc/40/52/86/502405286.db2.gz ZATRMVDDGKGSNS-UHFFFAOYSA-N 2 0 374.529 3.156 20 0 FGADRP CC(C)c1nc2c([nH]1)C[C@@H](C(=O)N[C@@H]1CC[N@H+](CC3CCCC3)C1)CC2 ZINC000476190476 502408986 /nfs/dbraw/zinc/40/89/86/502408986.db2.gz MBIDMCYSDCHJBN-DLBZAZTESA-N 2 0 358.530 3.019 20 0 FGADRP CCC[N@@H+]1CC[C@@H](CNC(=O)N[C@@H](C[NH+](C)Cc2ccccc2)C(C)C)C1 ZINC000469435558 502415725 /nfs/dbraw/zinc/41/57/25/502415725.db2.gz CWZJDGCRGMLPAB-SFTDATJTSA-N 2 0 374.573 3.174 20 0 FGADRP CCCC[N@H+](C)CCNC(=O)NC[C@@H]1CCC[NH+](C)[C@@H]1c1cccs1 ZINC000465923004 502428569 /nfs/dbraw/zinc/42/85/69/502428569.db2.gz QKTFGKAKUJHTND-WMZOPIPTSA-N 2 0 366.575 3.162 20 0 FGADRP CC[C@@H]1CCC[C@@H](NC(=O)N(CC[NH+](C)C)C[C@@H]2CCC[N@@H+]2CC)C1 ZINC000465991238 502447990 /nfs/dbraw/zinc/44/79/90/502447990.db2.gz ZJJFNKAYPFOUPZ-QRVBRYPASA-N 2 0 352.567 3.013 20 0 FGADRP CC[NH+](CC)CCN(Cc1ccccc1)C(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000466033975 502460845 /nfs/dbraw/zinc/46/08/45/502460845.db2.gz DPMZHCZMIKTJNN-ICSRJNTNSA-N 2 0 360.546 3.023 20 0 FGADRP CCC(CC)[C@H](CNC(=O)N(C)[C@@H]1CC[N@H+](CC)[C@H](C)C1)[NH+]1CCCC1 ZINC000483709977 502471112 /nfs/dbraw/zinc/47/11/12/502471112.db2.gz LCYWLBJSHIRRTJ-RLLQIKCJSA-N 2 0 366.594 3.401 20 0 FGADRP CC[NH+]1CCC(CCNC(=O)N(CC[NH+](C)C)CC2CCCCC2)CC1 ZINC000466099448 502478405 /nfs/dbraw/zinc/47/84/05/502478405.db2.gz JXIAKQZCUKZXIP-UHFFFAOYSA-N 2 0 366.594 3.262 20 0 FGADRP CCC[NH+]1CCC(NC(=O)NCC[C@@H](C)[N@H+](C)Cc2ccccc2)CC1 ZINC000472988653 502492044 /nfs/dbraw/zinc/49/20/44/502492044.db2.gz VUHFDFKUTDWBMM-GOSISDBHSA-N 2 0 360.546 3.071 20 0 FGADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)NCC[C@H](C)[NH+](C)Cc2ccccc2)C1 ZINC000473018817 502500944 /nfs/dbraw/zinc/50/09/44/502500944.db2.gz DPCJSDQRYOFLIB-PZJWPPBQSA-N 2 0 374.573 3.270 20 0 FGADRP CCOCCC[N@@H+]1CC[C@@H](NCCC[NH+]2CCc3ccccc3C2)[C@@H](C)C1 ZINC000480235200 502508518 /nfs/dbraw/zinc/50/85/18/502508518.db2.gz YDAXFPWPTPOECV-NZQKXSOJSA-N 2 0 373.585 3.161 20 0 FGADRP Cc1cc(C(C)(C)C)ccc1OC[C@H](O)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000480419347 502564225 /nfs/dbraw/zinc/56/42/25/502564225.db2.gz RSYKBMMTIZZEKS-HMXCVIKNSA-N 2 0 374.569 3.448 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)CC1(C[NH3+])CC1)c1ccc(C(F)(F)F)cc1 ZINC000582603619 506321131 /nfs/dbraw/zinc/32/11/31/506321131.db2.gz JZFBBYZOIQUNFX-INIZCTEOSA-N 2 0 371.447 3.334 20 0 FGADRP Cc1ccc([C@H](CNc2cc(C(C)C)[nH+]c(N(C)C)n2)[NH+]2CCCC2)o1 ZINC000462807850 502582588 /nfs/dbraw/zinc/58/25/88/502582588.db2.gz BMNILKIEJMNYPD-KRWDZBQOSA-N 2 0 357.502 3.238 20 0 FGADRP O=C(N[C@H]1CCC[N@H+](Cc2ccccc2)C1)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC000480553629 502601373 /nfs/dbraw/zinc/60/13/73/502601373.db2.gz KXLKSGMJWBUGFK-RTWAWAEBSA-N 2 0 369.553 3.422 20 0 FGADRP CC(C)O[C@@H]1C[C@@H]([NH2+]Cc2ccc(CN3CC[NH+](C)CC3)cc2)C1(C)C ZINC000463035503 502668948 /nfs/dbraw/zinc/66/89/48/502668948.db2.gz QRUKPEUTWWXQNY-NHCUHLMSSA-N 2 0 359.558 3.116 20 0 FGADRP CC[NH+](CC)CC1CC[NH+](CC(=O)N[C@H](C)Cc2ccccc2C)CC1 ZINC000488329282 502685601 /nfs/dbraw/zinc/68/56/01/502685601.db2.gz WTLRYDGRCFJBNR-LJQANCHMSA-N 2 0 359.558 3.096 20 0 FGADRP CC[N@@H+]1CC[C@H]([NH2+]CC2(N3CCOC(C)(C)C3)CCCCC2)[C@@H](C)C1 ZINC000470161755 502686895 /nfs/dbraw/zinc/68/68/95/502686895.db2.gz XEHQAZGQSRUWJN-OALUTQOASA-N 2 0 351.579 3.120 20 0 FGADRP CC[NH+](CC)CC1CC[NH+]([C@H](C)C(=O)NC[C@@H](C)c2ccccc2)CC1 ZINC000488355269 502691248 /nfs/dbraw/zinc/69/12/48/502691248.db2.gz ABKUEFCQVOZRTD-RTBURBONSA-N 2 0 359.558 3.349 20 0 FGADRP c1ccc(C[NH+]2CCN(CC[N@@H+]3CCCOCC3)CC23CCCCC3)cc1 ZINC000463095661 502692281 /nfs/dbraw/zinc/69/22/81/502692281.db2.gz FFBHNTOOOVHHLR-UHFFFAOYSA-N 2 0 371.569 3.229 20 0 FGADRP CC[C@H](C(=O)Nc1ccc(OC)cc1)[NH+]1CCC(C[NH+](CC)CC)CC1 ZINC000488363262 502694113 /nfs/dbraw/zinc/69/41/13/502694113.db2.gz SLKLXCZRPBRUHI-HXUWFJFHSA-N 2 0 361.530 3.466 20 0 FGADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCC(=O)NC1CCCCC1 ZINC000480893244 502699987 /nfs/dbraw/zinc/69/99/87/502699987.db2.gz CMLJYHWGNUIQSM-RXVVDRJESA-N 2 0 357.542 3.326 20 0 FGADRP C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)[C@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000470227426 502710837 /nfs/dbraw/zinc/71/08/37/502710837.db2.gz FRANBFANEKAZFT-VXKWHMMOSA-N 2 0 369.553 3.089 20 0 FGADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1ccc(C(C)(C)C)s1 ZINC000477221448 502711915 /nfs/dbraw/zinc/71/19/15/502711915.db2.gz RPDBNFQRODEOKX-UHFFFAOYSA-N 2 0 353.576 3.391 20 0 FGADRP CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000480964339 502715515 /nfs/dbraw/zinc/71/55/15/502715515.db2.gz PEVXDYUOGZUUQC-UHFFFAOYSA-N 2 0 372.340 3.225 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1cccc(C[NH+](C)C)c1 ZINC000488499216 502733284 /nfs/dbraw/zinc/73/32/84/502733284.db2.gz NQPBZSHQGDKOOS-XMSQKQJNSA-N 2 0 365.521 3.389 20 0 FGADRP Cc1ccccc1[C@H]([C@H](C)NC(=O)NC[C@@H](C)C[NH+]1CCCC1)[NH+](C)C ZINC000481030381 502734190 /nfs/dbraw/zinc/73/41/90/502734190.db2.gz FNLVGOPKCPZYPB-KPFFTGBYSA-N 2 0 360.546 3.017 20 0 FGADRP C[C@H]([NH2+]C1(CNC(=O)N(C)CC[N@H+](C)C2CC2)CCCC1)c1ccccc1 ZINC000473917228 502748955 /nfs/dbraw/zinc/74/89/55/502748955.db2.gz DKHMQBPMLNLSGD-SFHVURJKSA-N 2 0 372.557 3.386 20 0 FGADRP C[C@@H]1C[C@H](CCNC(=O)c2ccc3c(c2)C[NH2+]C3)C[N@@H+]1Cc1ccccc1 ZINC000470361887 502749162 /nfs/dbraw/zinc/74/91/62/502749162.db2.gz LZRBGXVCMDITIA-MJGOQNOKSA-N 2 0 363.505 3.320 20 0 FGADRP CC1CCC(NC(=O)CN[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000481176161 502773709 /nfs/dbraw/zinc/77/37/09/502773709.db2.gz XIJVIRAXKQWCSV-UCAOZASHSA-N 2 0 357.542 3.182 20 0 FGADRP CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@H]1CC[N@H+](C2CC2)[C@@H]1c1cccc(OC)c1 ZINC000477487186 502786666 /nfs/dbraw/zinc/78/66/66/502786666.db2.gz JGBXTGPYTLZJGJ-UIAACRFSSA-N 2 0 373.541 3.256 20 0 FGADRP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NCC[NH+]1CCCCC1 ZINC000509133216 502829412 /nfs/dbraw/zinc/82/94/12/502829412.db2.gz XEZZDPDHSJYEMA-FQEVSTJZSA-N 2 0 372.557 3.072 20 0 FGADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)NCCCCC[NH+]1CCCCC1 ZINC000500858672 502880057 /nfs/dbraw/zinc/88/00/57/502880057.db2.gz KPMSSQHLCCKEEK-IBGZPJMESA-N 2 0 352.567 3.206 20 0 FGADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CC[C@H]([NH+]3CCCC3)[C@@H]2C)C1 ZINC000496588772 502895602 /nfs/dbraw/zinc/89/56/02/502895602.db2.gz BINDLZDDLYTSQA-OTWHNJEPSA-N 2 0 364.578 3.155 20 0 FGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]CCOCC(C)C)CC1 ZINC000501023048 502914151 /nfs/dbraw/zinc/91/41/51/502914151.db2.gz LXOLHADMOBQPGY-QGZVFWFLSA-N 2 0 351.510 3.291 20 0 FGADRP Cc1cc(C)cc(NC(=O)C[N@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000501027128 502915229 /nfs/dbraw/zinc/91/52/29/502915229.db2.gz KGVOCLOWBRIPSC-UHFFFAOYSA-N 2 0 366.509 3.485 20 0 FGADRP O=C(NC[C@@H]1CCC[N@@H+]1CC1CCCCC1)c1cc(-n2ccnc2)ccn1 ZINC000489345414 502934094 /nfs/dbraw/zinc/93/40/94/502934094.db2.gz PIKYWPAKXZVZPW-IBGZPJMESA-N 2 0 367.497 3.042 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)NCC[N@@H+]1CCC[C@@H](C)C1)c1ccsc1 ZINC000501163291 502951689 /nfs/dbraw/zinc/95/16/89/502951689.db2.gz MQBHUCXACLUQIA-AEFFLSMTSA-N 2 0 366.575 3.162 20 0 FGADRP CC(C)[C@H](CNC(=O)NC[C@H](c1ccccc1)[NH+](C)C)[NH+]1CCC(C)CC1 ZINC000501186633 502955782 /nfs/dbraw/zinc/95/57/82/502955782.db2.gz KGISGEJGCBUPKG-LEWJYISDSA-N 2 0 374.573 3.345 20 0 FGADRP COC(=O)c1ccc(C[NH+]2CCC(C[N@H+](C)Cc3ccccc3)CC2)nc1 ZINC000509659017 502960160 /nfs/dbraw/zinc/96/01/60/502960160.db2.gz RMXGVQQMRPALNA-UHFFFAOYSA-N 2 0 367.493 3.212 20 0 FGADRP C[C@H]([NH2+]C(C)(C)CNC(=O)N1C[C@@H]([NH+]2CCCC2)C[C@@H]1C)c1ccccc1 ZINC000497448206 502962519 /nfs/dbraw/zinc/96/25/19/502962519.db2.gz PKOWWQPQCNWWMA-BJLQDIEVSA-N 2 0 372.557 3.384 20 0 FGADRP CN(C)[C@@H](C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1)c1ccccc1 ZINC000513580687 502969845 /nfs/dbraw/zinc/96/98/45/502969845.db2.gz QMVQLSKBAKXBKG-NHCUHLMSSA-N 2 0 351.494 3.070 20 0 FGADRP O=C(NCc1ccccc1C[NH+]1CCCCC1)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000505709350 502971157 /nfs/dbraw/zinc/97/11/57/502971157.db2.gz OTVJTWCQOHJKGN-RTWAWAEBSA-N 2 0 370.541 3.099 20 0 FGADRP CC(C)CN(CC[NH+](C)C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000489516729 502976497 /nfs/dbraw/zinc/97/64/97/502976497.db2.gz TZAYOUXNGGUKQX-PZJWPPBQSA-N 2 0 374.573 3.126 20 0 FGADRP CC1CC[NH+]([C@H](CNC(=O)N(C)CC[NH+]2CCCC2)c2ccccc2)CC1 ZINC000497590026 502994805 /nfs/dbraw/zinc/99/48/05/502994805.db2.gz ZKIMFVTZJVHPSP-OAQYLSRUSA-N 2 0 372.557 3.197 20 0 FGADRP CC1CC[NH+]([C@@H](CNC(=O)N(C)CC[NH+]2CCCC2)c2ccccc2)CC1 ZINC000497590025 502995075 /nfs/dbraw/zinc/99/50/75/502995075.db2.gz ZKIMFVTZJVHPSP-NRFANRHFSA-N 2 0 372.557 3.197 20 0 FGADRP CC(C)C(=O)NCC[NH2+][C@@H]1CCCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000513679232 502998932 /nfs/dbraw/zinc/99/89/32/502998932.db2.gz VRTYUPDKLSKVJK-NJDAHSKKSA-N 2 0 357.542 3.039 20 0 FGADRP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)NC[C@@H](C1CCCCC1)[NH+](C)C ZINC000501395469 503000937 /nfs/dbraw/zinc/00/09/37/503000937.db2.gz BEDCJALWUFPQDP-ICSRJNTNSA-N 2 0 366.594 3.451 20 0 FGADRP Cn1cc(C(F)(F)F)nc1[C@@H]1CCC[N@H+](CC[C@@H]2CCCC[NH+]2C)C1 ZINC000489684207 503010288 /nfs/dbraw/zinc/01/02/88/503010288.db2.gz MCWGESPGGYWMOG-CABCVRRESA-N 2 0 358.452 3.493 20 0 FGADRP CC[NH+]1CCN(Cc2ccccc2C[NH2+][C@H](C)Cc2ccc(O)cc2)CC1 ZINC000509958037 503018757 /nfs/dbraw/zinc/01/87/57/503018757.db2.gz RVGREVJVFHGVAH-LJQANCHMSA-N 2 0 367.537 3.251 20 0 FGADRP Cn1nccc1-c1ccccc1C[NH2+]Cc1cccc(OCC[NH+](C)C)c1 ZINC000509986256 503024354 /nfs/dbraw/zinc/02/43/54/503024354.db2.gz YNYKVVCNMPORAH-UHFFFAOYSA-N 2 0 364.493 3.317 20 0 FGADRP C[C@H](CNC(=O)Nc1cccc(OCC[NH+](C)C)c1)[N@@H+]1CCCC[C@H]1C ZINC000501525093 503028759 /nfs/dbraw/zinc/02/87/59/503028759.db2.gz ZIQWEZPMWGYLGU-IAGOWNOFSA-N 2 0 362.518 3.011 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000489784565 503033469 /nfs/dbraw/zinc/03/34/69/503033469.db2.gz WOAFWZVKXJHKFE-HMXCVIKNSA-N 2 0 372.557 3.165 20 0 FGADRP CC(C)[N@@H+]1CCCN(C(=O)N[C@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000489836880 503045897 /nfs/dbraw/zinc/04/58/97/503045897.db2.gz BOGAVVIJLKXASA-FPOVZHCZSA-N 2 0 372.557 3.023 20 0 FGADRP CC[NH+](CC)Cc1ccc(CNC(=O)N[C@@H](C)C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000514027652 503072102 /nfs/dbraw/zinc/07/21/02/503072102.db2.gz UZFXNWKOISMTMA-OALUTQOASA-N 2 0 374.573 3.448 20 0 FGADRP CC(C)[NH+](CCNC(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1)C(C)C ZINC000501802556 503082238 /nfs/dbraw/zinc/08/22/38/503082238.db2.gz NFSCQNXBTPFRBJ-HXUWFJFHSA-N 2 0 360.546 3.242 20 0 FGADRP CC(C)CN1CCO[C@@H](C[NH2+]C2CCC([N@H+](C)Cc3ccccc3)CC2)C1 ZINC000514100573 503087556 /nfs/dbraw/zinc/08/75/56/503087556.db2.gz WSTBOTIUVRKSTA-VNXZQDSDSA-N 2 0 373.585 3.376 20 0 FGADRP CC[NH+]1CCC(NC(=O)NCC[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC000510336831 503094295 /nfs/dbraw/zinc/09/42/95/503094295.db2.gz NPKNONXPQKASOR-UYAOXDASSA-N 2 0 372.557 3.071 20 0 FGADRP CCCC[NH+]1CCC(NC(=O)N[C@H](C)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000490195752 503127498 /nfs/dbraw/zinc/12/74/98/503127498.db2.gz CXSKXWNPZSCZTQ-XLIONFOSSA-N 2 0 360.546 3.242 20 0 FGADRP C[NH+](C)[C@H](CNC(=O)NCC1([NH+](C)C)CCCCCC1)c1cccs1 ZINC000514566056 503137558 /nfs/dbraw/zinc/13/75/58/503137558.db2.gz VIAKQQKHLNGRPW-MRXNPFEDSA-N 2 0 366.575 3.305 20 0 FGADRP C[C@@H](C[NH+]1CCOCC1)C(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000502085147 503141728 /nfs/dbraw/zinc/14/17/28/503141728.db2.gz MYBUUDDEXQPFPM-SFHVURJKSA-N 2 0 373.541 3.358 20 0 FGADRP C[NH2+][C@H](CC(C)(C)C)C(=O)Nc1ccccc1CN1C[C@@H](C)O[C@@H](C)C1 ZINC000514604065 503147091 /nfs/dbraw/zinc/14/70/91/503147091.db2.gz AGFIOHHZDSPKOT-JTDSTZFVSA-N 2 0 361.530 3.259 20 0 FGADRP CCCN(CC[NH+]1CCCC1)C(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000502170212 503155251 /nfs/dbraw/zinc/15/52/51/503155251.db2.gz QQQHXAOASZAJNZ-CTNGQTDRSA-N 2 0 372.557 3.024 20 0 FGADRP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(C[NH2+][C@H]3CC[C@@H]3C3CCC3)c2)C1 ZINC000510673224 503169759 /nfs/dbraw/zinc/16/97/59/503169759.db2.gz ZUYNTFMZFOXNLX-NJYVYQBISA-N 2 0 355.526 3.052 20 0 FGADRP CC[NH+]1CCN(Cc2ccc(C[NH2+][C@H]3CCCC34CCOCC4)cc2)CC1 ZINC000502276068 503173268 /nfs/dbraw/zinc/17/32/68/503173268.db2.gz QMNPDVXLGQXKMW-QFIPXVFZSA-N 2 0 371.569 3.263 20 0 FGADRP Cc1cc(C)n(-c2ccc(C[NH+]3CCC([C@@H]4C[C@@H]([NH3+])CCO4)CC3)cc2)n1 ZINC000514733761 503179852 /nfs/dbraw/zinc/17/98/52/503179852.db2.gz ODJSBBNXNXVSFH-UNMCSNQZSA-N 2 0 368.525 3.207 20 0 FGADRP CC(C)Cc1ccc([C@H](CNC(=O)CC2CC[NH+](C)CC2)[NH+](C)C)cc1 ZINC000490497049 503183735 /nfs/dbraw/zinc/18/37/35/503183735.db2.gz YQYSWNYQTDQART-NRFANRHFSA-N 2 0 359.558 3.336 20 0 FGADRP C[C@H](C(=O)NCC1([NH+]2CCSCC2)CCCCC1)[NH+]1CCCCCC1 ZINC000510746883 503184403 /nfs/dbraw/zinc/18/44/03/503184403.db2.gz KUOHAVSQYMWPBO-GOSISDBHSA-N 2 0 367.603 3.119 20 0 FGADRP CSC1(C[NH2+][C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC[NH+](C)CC1 ZINC000514761938 503186978 /nfs/dbraw/zinc/18/69/78/503186978.db2.gz PJEFMDVDVSXONX-UYAOXDASSA-N 3 0 361.599 3.314 20 0 FGADRP C[C@@H](C(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1)[NH+]1CCCCCC1 ZINC000510764162 503188714 /nfs/dbraw/zinc/18/87/14/503188714.db2.gz GQSYIDSPZQBDID-IBGZPJMESA-N 2 0 357.542 3.374 20 0 FGADRP C[C@@H]1C[C@@H](C)C[NH+](CCCC[NH2+]Cc2cnnn2Cc2ccccc2)C1 ZINC000490553495 503194328 /nfs/dbraw/zinc/19/43/28/503194328.db2.gz BHUZMLAHBDAYFQ-RTBURBONSA-N 2 0 355.530 3.174 20 0 FGADRP C[N@H+](Cc1ccco1)Cc1ccccc1C[NH2+]C[C@](C)(O)C(F)(F)F ZINC000514824982 503202621 /nfs/dbraw/zinc/20/26/21/503202621.db2.gz GBIRONYYBCPNNG-KRWDZBQOSA-N 2 0 356.388 3.315 20 0 FGADRP Cc1ccnc([C@@H]2CC[N@H+](CCCN3CCN(c4ccccc4)CC3)C2)c1 ZINC000514947776 503233484 /nfs/dbraw/zinc/23/34/84/503233484.db2.gz JYSMJDLQXAMZAV-OAQYLSRUSA-N 2 0 364.537 3.392 20 0 FGADRP CC1CC[NH+](CCNC(=O)N2CCC(CCC[NH+]3CCCC3)CC2)CC1 ZINC000502617426 503239980 /nfs/dbraw/zinc/23/99/80/503239980.db2.gz XPPLYBNEAXRHSN-UHFFFAOYSA-N 2 0 364.578 3.016 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)[C@H](C)CN1C(=O)CC[C@H]1CCCC[NH+]1C ZINC000502884862 503298503 /nfs/dbraw/zinc/29/85/03/503298503.db2.gz LGFQYABUHHPAMP-SFHLNBCPSA-N 2 0 357.542 3.372 20 0 FGADRP c1cnn(Cc2ccccc2C[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000515232750 503298820 /nfs/dbraw/zinc/29/88/20/503298820.db2.gz NJNCWRJQJCXYEE-GMAHTHKFSA-N 2 0 374.488 3.277 20 0 FGADRP CC1CC[NH+](Cc2ccccc2CNC(=O)N2CC[N@H+](C)CC[C@@H]2C)CC1 ZINC000502913673 503306684 /nfs/dbraw/zinc/30/66/84/503306684.db2.gz WWGTWAQLZKPFKT-IBGZPJMESA-N 2 0 372.557 3.154 20 0 FGADRP CC[N@@H+]1C[C@H](C)N(C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)C[C@@H]1C ZINC000499088047 503330875 /nfs/dbraw/zinc/33/08/75/503330875.db2.gz CNMFPBJOPCSZNZ-ULQDDVLXSA-N 2 0 364.559 3.009 20 0 FGADRP CC[N@H+](CC(=O)N(CC[NH+](C)C)Cc1cccc(C(F)(F)F)c1)C1CC1 ZINC000491995559 503341789 /nfs/dbraw/zinc/34/17/89/503341789.db2.gz LLXWKAFQDITWCM-UHFFFAOYSA-N 2 0 371.447 3.080 20 0 FGADRP C[N@@H+](CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)CC1CCCC1 ZINC000507700127 503350521 /nfs/dbraw/zinc/35/05/21/503350521.db2.gz WEPUKLLMECRASJ-UHFFFAOYSA-N 2 0 361.555 3.296 20 0 FGADRP C[N@H+](CCCN1CC[NH+](C)CC1)Cc1cccc(OCc2ccccc2)c1 ZINC000492806017 503386025 /nfs/dbraw/zinc/38/60/25/503386025.db2.gz HNBDSCVTOLIXPM-UHFFFAOYSA-N 2 0 367.537 3.335 20 0 FGADRP CC[NH+](CC)CC1CC[NH+](CCC(=O)Nc2ccc(C(C)=O)cc2)CC1 ZINC000507949819 503401999 /nfs/dbraw/zinc/40/19/99/503401999.db2.gz JFZAOXCJYWQGBD-UHFFFAOYSA-N 2 0 359.514 3.272 20 0 FGADRP CC(C)C[C@@H](C)C[NH+]1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000499570664 503434276 /nfs/dbraw/zinc/43/42/76/503434276.db2.gz AVNWIBIVLDJNIJ-LJQANCHMSA-N 2 0 351.579 3.373 20 0 FGADRP CC[NH+]1CCN(CCC[NH2+]CC(c2ccccc2)c2ccccc2)CC1 ZINC000512045582 503442182 /nfs/dbraw/zinc/44/21/82/503442182.db2.gz NDWOWHXIVIMBLP-UHFFFAOYSA-N 2 0 351.538 3.436 20 0 FGADRP CC[C@H](C)[NH2+][C@H](CNC(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1)c1ccco1 ZINC000493814730 503448187 /nfs/dbraw/zinc/44/81/87/503448187.db2.gz WKLWKRNHBPNDKU-OKZBNKHCSA-N 2 0 364.534 3.128 20 0 FGADRP CC(C)[NH+]1CCN(c2cccc(NC(=O)CC[C@H]3CCCC[N@@H+]3C)c2)CC1 ZINC000503650991 503452000 /nfs/dbraw/zinc/45/20/00/503452000.db2.gz SSWDEXHONCZEHS-HXUWFJFHSA-N 2 0 372.557 3.420 20 0 FGADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000499695286 503459481 /nfs/dbraw/zinc/45/94/81/503459481.db2.gz RPZHFHZKXYJJOK-SFTDATJTSA-N 2 0 357.542 3.279 20 0 FGADRP COC(=O)COc1ccc(C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)cc1 ZINC000611956247 506373641 /nfs/dbraw/zinc/37/36/41/506373641.db2.gz ZWYBMORFEBCWHI-UHFFFAOYSA-N 2 0 374.525 3.326 20 0 FGADRP C[NH+](CCNC(=O)c1cccc(C[N@H+](C)Cc2ccccc2)c1)C1CC1 ZINC000512141379 503467933 /nfs/dbraw/zinc/46/79/33/503467933.db2.gz WQSFGGYBZVRPFY-UHFFFAOYSA-N 2 0 351.494 3.143 20 0 FGADRP C[C@H](NC(=O)CC[C@H]1CCCC[N@@H+]1C)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000503882170 503482565 /nfs/dbraw/zinc/48/25/65/503482565.db2.gz FQFVICPXNSBAJS-SESVDKBCSA-N 2 0 357.542 3.278 20 0 FGADRP C[C@@H]1C[C@H](CC[NH2+][C@H](C(N)=O)c2ccccc2)C[N@@H+]1Cc1ccccc1 ZINC000512331697 503521945 /nfs/dbraw/zinc/52/19/45/503521945.db2.gz PFXUPIDZVHCJSU-LMNJBCLMSA-N 2 0 351.494 3.103 20 0 FGADRP Cc1cc(NC(=O)NCc2ccccc2C[N@H+]2CCC[C@@H](C)C2)ccn1 ZINC000504149703 503531282 /nfs/dbraw/zinc/53/12/82/503531282.db2.gz FNEWCRCFOLLKFI-MRXNPFEDSA-N 2 0 352.482 3.366 20 0 FGADRP Cc1ccccc1[C@@H]([C@@H](C)NC(=O)Nc1ccc2c(c1)C[NH2+]C2)[NH+](C)C ZINC000516552862 503534358 /nfs/dbraw/zinc/53/43/58/503534358.db2.gz UQCVUBZGMVMEGO-FOIQADDNSA-N 2 0 352.482 3.411 20 0 FGADRP CCC(CC)[C@@H](CNC(=O)NCc1cccc(C[NH+](C)C)c1)[NH+]1CCCC1 ZINC000504191885 503536910 /nfs/dbraw/zinc/53/69/10/503536910.db2.gz WMADDXDFDMQUKC-OAQYLSRUSA-N 2 0 374.573 3.448 20 0 FGADRP Cc1cc(C[NH+]2CCC(OCC[NH+](C)C)CC2)ccc1Br ZINC000500124744 503560837 /nfs/dbraw/zinc/56/08/37/503560837.db2.gz OBAAXFJXTNINCS-UHFFFAOYSA-N 2 0 355.320 3.300 20 0 FGADRP CC(C)[NH+](CCN(C)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1)C(C)C ZINC000504420582 503572426 /nfs/dbraw/zinc/57/24/26/503572426.db2.gz XIPMLRKQDRZZLW-WOJBJXKFSA-N 2 0 360.546 3.192 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@H](C)[C@@H](c2ccccc2)[NH+](C)C)C[C@H]1C ZINC000508849432 503576283 /nfs/dbraw/zinc/57/62/83/503576283.db2.gz BTTUVBLZRJOGQG-JYBIWHBTSA-N 2 0 360.546 3.192 20 0 FGADRP C[C@H](NC(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1)[C@@H](c1ccccc1)[NH+](C)C ZINC000508852704 503578533 /nfs/dbraw/zinc/57/85/33/503578533.db2.gz NDJWLKYKWXFTFO-CUWPLCDZSA-N 2 0 372.557 3.051 20 0 FGADRP Cc1ccccc1[C@@H]([C@@H](C)NC(=O)N1CC[NH+](C2CCCC2)CC1)[NH+](C)C ZINC000508871249 503584072 /nfs/dbraw/zinc/58/40/72/503584072.db2.gz PFGCMYUDDDKKCS-WIYYLYMNSA-N 2 0 372.557 3.256 20 0 FGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+][C@@H]2CN(C3CC3)C[C@H]2C)CC1 ZINC000494668150 503588588 /nfs/dbraw/zinc/58/85/88/503588588.db2.gz WBCLBFWPNQRJDG-LLGFUMIMSA-N 2 0 374.548 3.101 20 0 FGADRP CCC[NH+]1CCC(NC(=O)N2C[C@@H](C)[N@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000500250544 503588683 /nfs/dbraw/zinc/58/86/83/503588683.db2.gz OQKHHPLSLNIGDX-RTBURBONSA-N 2 0 372.557 3.165 20 0 FGADRP Cc1ccccc1[C@@H]([C@@H](C)NC(=O)NCCC1CC[NH+](C)CC1)[NH+](C)C ZINC000494699081 503594984 /nfs/dbraw/zinc/59/49/84/503594984.db2.gz YVYQEIFSKNCKGI-YLJYHZDGSA-N 2 0 360.546 3.017 20 0 FGADRP CN(C)[C@]1(C[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CCSC1 ZINC000512625916 503597848 /nfs/dbraw/zinc/59/78/48/503597848.db2.gz QWRFTLFFIBWKGQ-YSFYHYPLSA-N 2 0 373.610 3.314 20 0 FGADRP C[C@@H]1CCC[C@H]([NH2+]Cc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)[C@H]1C ZINC000512667497 503608013 /nfs/dbraw/zinc/60/80/13/503608013.db2.gz PWMRXRLTWFYKRZ-LQWHRVPQSA-N 2 0 357.542 3.427 20 0 FGADRP Fc1ccc2c(NCCC[NH+]3CCN(c4cc[nH+]cc4)CC3)cc[nH+]c2c1 ZINC000500462982 503629529 /nfs/dbraw/zinc/62/95/29/503629529.db2.gz DBOULXMDHKSWOG-UHFFFAOYSA-N 3 0 365.456 3.393 20 0 FGADRP C[NH+](C)CC1(C[NH2+]C[C@H](O)CO[C@@H]2CCCc3ccccc32)CCCC1 ZINC000517130094 503651773 /nfs/dbraw/zinc/65/17/73/503651773.db2.gz NCTSECKYFAWFLS-PZJWPPBQSA-N 2 0 360.542 3.153 20 0 FGADRP CCc1ccc(C[NH+]2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)s1 ZINC000536656434 503662900 /nfs/dbraw/zinc/66/29/00/503662900.db2.gz OJTUFHRJBCINSS-UHFFFAOYSA-N 2 0 365.587 3.227 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCOc2ccc(F)c(F)c2)[C@H](C)C1 ZINC000540167746 503695725 /nfs/dbraw/zinc/69/57/25/503695725.db2.gz SHAUGUWETIXABW-BEFAXECRSA-N 2 0 356.457 3.070 20 0 FGADRP C[C@@H](CCNC(=O)NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1)[NH+]1CCCCC1 ZINC000543351632 503735256 /nfs/dbraw/zinc/73/52/56/503735256.db2.gz MAVNLUGOYFTRHM-AQNXPRMDSA-N 2 0 366.594 3.308 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCc2nnc(-c3ccccc3)o2)[C@@H](C)C1 ZINC000536837363 503736527 /nfs/dbraw/zinc/73/65/27/503736527.db2.gz GASFTHGYJLSRTR-HKUYNNGSSA-N 2 0 372.513 3.006 20 0 FGADRP OC[C@@H](C[NH2+]C1CC[NH+](CC2CC2)CC1)Cc1ccc(C(F)(F)F)cc1 ZINC000540395704 503758375 /nfs/dbraw/zinc/75/83/75/503758375.db2.gz DXNOKTBZIKQILN-QGZVFWFLSA-N 2 0 370.459 3.320 20 0 FGADRP CC(C)[C@@H](C[NH2+][C@H](c1ccc(F)cc1)c1cccnc1)N1CC[NH+](C)CC1 ZINC000543410974 503760215 /nfs/dbraw/zinc/76/02/15/503760215.db2.gz CAGFCJBRZPWWJX-FGZHOGPDSA-N 2 0 370.516 3.172 20 0 FGADRP CC(C)COc1cccc(C[N@@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)c1 ZINC000537204483 503841748 /nfs/dbraw/zinc/84/17/48/503841748.db2.gz QIBNXCMGVSFVCZ-OAQYLSRUSA-N 2 0 359.558 3.322 20 0 FGADRP CSC[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccc(-c3c[nH]cn3)cc2)C1 ZINC000517817568 503844822 /nfs/dbraw/zinc/84/48/22/503844822.db2.gz ZQHHSRXZEFGPLV-GJZGRUSLSA-N 2 0 358.511 3.479 20 0 FGADRP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000543674753 503848491 /nfs/dbraw/zinc/84/84/91/503848491.db2.gz KUJWKCBKWUXSLG-NQIIRXRSSA-N 2 0 372.557 3.023 20 0 FGADRP C[N@H+](CCC(=O)NCc1nccn1CCc1ccccc1)C1CCCCC1 ZINC000546722184 503851121 /nfs/dbraw/zinc/85/11/21/503851121.db2.gz VOYDOZSOGOADNG-UHFFFAOYSA-N 2 0 368.525 3.397 20 0 FGADRP CC(C)[C@H](CNC(=O)N[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1)[NH+]1CCCC1 ZINC000517889394 503859885 /nfs/dbraw/zinc/85/98/85/503859885.db2.gz KZGQTCIRZWIBKI-GIVPXCGWSA-N 2 0 372.557 3.242 20 0 FGADRP CC1(C)[C@H]([NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)[C@@H]2CCCO[C@@H]21 ZINC000537294101 503871065 /nfs/dbraw/zinc/87/10/65/503871065.db2.gz UIOZRTHQOGCBHI-HBMCJLEFSA-N 2 0 358.526 3.454 20 0 FGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]Cc2cc(OC)cc(C(F)(F)F)c2)CC1 ZINC000527655055 503878067 /nfs/dbraw/zinc/87/80/67/503878067.db2.gz XSLSGKRXZLFXCR-HNNXBMFYSA-N 2 0 373.463 3.077 20 0 FGADRP C[C@]1(C[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)COc2ccccc2O1 ZINC000530212948 503879065 /nfs/dbraw/zinc/87/90/65/503879065.db2.gz SCHCBTDVUFXJTE-VOQZNFBZSA-N 2 0 366.461 3.062 20 0 FGADRP OCCN1CC[NH+](CCCC[NH2+][C@@H]2CCC[C@H](c3ccccc3)CC2)CC1 ZINC000527659965 503881699 /nfs/dbraw/zinc/88/16/99/503881699.db2.gz NKVRPRSAKUROOD-XZOQPEGZSA-N 2 0 373.585 3.083 20 0 FGADRP Clc1ccc(-n2ccc(CN3CCC(CO[C@H]4CC[NH2+]C4)CC3)n2)cc1 ZINC000530238738 503888678 /nfs/dbraw/zinc/88/86/78/503888678.db2.gz BNEWXSGKAVFMML-FQEVSTJZSA-N 2 0 374.916 3.116 20 0 FGADRP FC(F)(F)c1ccc(OCC[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000530243749 503892322 /nfs/dbraw/zinc/89/23/22/503892322.db2.gz YBDXPHNZYKFJHL-GOSISDBHSA-N 2 0 372.431 3.175 20 0 FGADRP Fc1cc(C[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)ccc1OC(F)F ZINC000530247936 503893090 /nfs/dbraw/zinc/89/30/90/503893090.db2.gz DSAKSVLMLNUYEC-OAHLLOKOSA-N 2 0 358.404 3.018 20 0 FGADRP CCCOc1cc(C[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)ccc1OC ZINC000530248119 503894259 /nfs/dbraw/zinc/89/42/59/503894259.db2.gz GLLAEYBWYYAERK-LJQANCHMSA-N 2 0 362.514 3.075 20 0 FGADRP Clc1ccc(-c2n[nH]cc2C[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)cc1 ZINC000530248338 503894452 /nfs/dbraw/zinc/89/44/52/503894452.db2.gz JGGKFYGFMJPVSP-IBGZPJMESA-N 2 0 374.916 3.321 20 0 FGADRP Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)CCN(C)c1cc[nH+]cc1 ZINC000540927615 503942374 /nfs/dbraw/zinc/94/23/74/503942374.db2.gz XZCSSYHJSGPVLJ-UHFFFAOYSA-N 2 0 352.482 3.451 20 0 FGADRP CN(c1ccccc1C[NH2+]C[C@H]1CCN1C1CCCC1)C1CC[NH+](C)CC1 ZINC000527805900 503952366 /nfs/dbraw/zinc/95/23/66/503952366.db2.gz IWJSLMGMPIMUFI-JOCHJYFZSA-N 2 0 370.585 3.324 20 0 FGADRP CC1CC[NH+]([C@H](CNC(=O)NC[C@H]2CCC[C@H]([NH3+])C2)c2ccccc2)CC1 ZINC000518344775 503957313 /nfs/dbraw/zinc/95/73/13/503957313.db2.gz XTMNEDZDZJEMGS-SESVDKBCSA-N 2 0 372.557 3.276 20 0 FGADRP CC1CC[NH+]([C@H](CNC(=O)NC[C@H]2CCC[C@@H]([NH3+])C2)c2ccccc2)CC1 ZINC000518344769 503958072 /nfs/dbraw/zinc/95/80/72/503958072.db2.gz XTMNEDZDZJEMGS-CEWLAPEOSA-N 2 0 372.557 3.276 20 0 FGADRP COc1ccc([C@H]([NH2+]CCCC[NH+]2CCN(C)CC2)c2ccccc2)cc1 ZINC000537607061 503971411 /nfs/dbraw/zinc/97/14/11/503971411.db2.gz MGMUVELIJYMYTR-HSZRJFAPSA-N 2 0 367.537 3.402 20 0 FGADRP C[C@@H](NCCC[N@@H+]1CCCO[C@H](C)C1)c1cc(-c2ccccc2)n(C)n1 ZINC000527892826 503987511 /nfs/dbraw/zinc/98/75/11/503987511.db2.gz BJFGOXRAEJBNMR-QZTJIDSGSA-N 2 0 356.514 3.239 20 0 FGADRP CC(C)[N@H+](C)CC1CCN(C(=O)NCC(C)(C)[NH+]2CCC[C@@H](C)C2)CC1 ZINC000518461397 503991757 /nfs/dbraw/zinc/99/17/57/503991757.db2.gz RORXIGHIKIOVSB-GOSISDBHSA-N 2 0 366.594 3.259 20 0 FGADRP C[C@H]([NH2+][C@@H]1CCC[C@@H](N2CCCC2=O)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000518565894 504017761 /nfs/dbraw/zinc/01/77/61/504017761.db2.gz RIJCPYSQXYYHTC-DFQSSKMNSA-N 2 0 373.541 3.211 20 0 FGADRP C[NH+](C)[C@@H](CNC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1)C1CCCCC1 ZINC000518628579 504031948 /nfs/dbraw/zinc/03/19/48/504031948.db2.gz DAWAWOVPRFQWQW-PMACEKPBSA-N 2 0 364.578 3.157 20 0 FGADRP C[N@@H+]1CC[C@@](O)(CNCc2cccc(OCc3ccccc3Cl)c2)C1 ZINC000547273163 504044288 /nfs/dbraw/zinc/04/42/88/504044288.db2.gz MNHFOVXCCQVTBH-HXUWFJFHSA-N 2 0 360.885 3.075 20 0 FGADRP CC[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)CC(=O)Nc2cc(Cl)ccc2OC)C1 ZINC000541216286 504046561 /nfs/dbraw/zinc/04/65/61/504046561.db2.gz KUZNNNMSWMQICX-GJZGRUSLSA-N 2 0 367.921 3.387 20 0 FGADRP C[C@@](O)(C[NH2+]CC1CC[NH+](Cc2ccccc2Cl)CC1)C(F)(F)F ZINC000518758782 504055388 /nfs/dbraw/zinc/05/53/88/504055388.db2.gz ADJHAIGOJBUKTA-MRXNPFEDSA-N 2 0 364.839 3.455 20 0 FGADRP C[C@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2)C1CCOCC1 ZINC000518784206 504063145 /nfs/dbraw/zinc/06/31/45/504063145.db2.gz URRHRNFUGUJJTF-SIKLNZKXSA-N 2 0 372.553 3.320 20 0 FGADRP CC[N@H+](CCC1CC[NH+](CC(=O)NCc2cccs2)CC1)CC(C)C ZINC000537994491 504105594 /nfs/dbraw/zinc/10/55/94/504105594.db2.gz FLDBWZBBCNMDSG-UHFFFAOYSA-N 2 0 365.587 3.444 20 0 FGADRP C[C@H]1C[C@@H](CC[NH2+]Cc2c(Cl)cccc2N2CC[NH+](C)CC2)CCO1 ZINC000541369667 504105961 /nfs/dbraw/zinc/10/59/61/504105961.db2.gz NIVVMXHTYBDUID-IRXDYDNUSA-N 2 0 365.949 3.387 20 0 FGADRP COC(=O)c1cc2c(o1)c(OC)ccc2C[NH2+]C1CC[NH+](CC(C)C)CC1 ZINC000530904336 504124990 /nfs/dbraw/zinc/12/49/90/504124990.db2.gz PXDPIDQOPXJLSK-UHFFFAOYSA-N 2 0 374.481 3.438 20 0 FGADRP Cc1ccc([C@H](C)[NH2+][C@H](C)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000538128439 504138469 /nfs/dbraw/zinc/13/84/69/504138469.db2.gz OWJZRVKTTZZPCS-NNMXDRDESA-N 2 0 365.521 3.425 20 0 FGADRP CC1CC[NH+]([C@H](CNC(=O)N2CCC[C@@H]([NH+](C)C)C2)c2ccccc2)CC1 ZINC000519179322 504159000 /nfs/dbraw/zinc/15/90/00/504159000.db2.gz HOCCEUCCOJTQMZ-NHCUHLMSSA-N 2 0 372.557 3.195 20 0 FGADRP CC[NH+]1CCN(CCCC[NH2+][C@@H](c2ccc(F)cc2)c2cccnc2)CC1 ZINC000541548043 504171224 /nfs/dbraw/zinc/17/12/24/504171224.db2.gz DNOICKHUCSYXBL-QFIPXVFZSA-N 2 0 370.516 3.317 20 0 FGADRP O=C([C@H]1CCCC[N@@H+]1Cc1ccccc1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000531292712 504253645 /nfs/dbraw/zinc/25/36/45/504253645.db2.gz DIWOOGMLVGKFQF-LEWJYISDSA-N 2 0 355.526 3.128 20 0 FGADRP C[C@H]1CC[N@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CC1(C)C ZINC000544783937 504257118 /nfs/dbraw/zinc/25/71/18/504257118.db2.gz XKGMHEISVUTRJV-SFHVURJKSA-N 2 0 357.542 3.267 20 0 FGADRP C[C@@H]([NH2+]C[C@H]1COc2ccccc2O1)c1ccc(OCC[NH+](C)C)cc1 ZINC000538508303 504267583 /nfs/dbraw/zinc/26/75/83/504267583.db2.gz HLTVAYQPPSCDDQ-APWZRJJASA-N 2 0 356.466 3.118 20 0 FGADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)N[C@H](CC1CCC1)c1ccccc1 ZINC000541851005 504275561 /nfs/dbraw/zinc/27/55/61/504275561.db2.gz UROHDDBHDNDDGH-HXUWFJFHSA-N 2 0 360.546 3.053 20 0 FGADRP C[N@@H+]1CCC[C@H](CC[NH2+]CCC(=O)Nc2cccc(Br)c2)C1 ZINC000519696868 504306970 /nfs/dbraw/zinc/30/69/70/504306970.db2.gz DRFGGEIEXXMEML-CQSZACIVSA-N 2 0 368.319 3.099 20 0 FGADRP Cc1c[nH+]ccc1N1CCC(C(=O)NC[C@@H](C2CCCCC2)[NH+](C)C)CC1 ZINC000531441849 504308125 /nfs/dbraw/zinc/30/81/25/504308125.db2.gz AXICEZSGOZFUNH-NRFANRHFSA-N 2 0 372.557 3.233 20 0 FGADRP C(CC[N@@H+]1CCC[C@H]([C@@H]2CCOC2)C1)C[NH+]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000535011615 504312778 /nfs/dbraw/zinc/31/27/78/504312778.db2.gz DUBVYFKQFANYMU-FNAHDJPLSA-N 2 0 364.574 3.264 20 0 FGADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](C[C@H]2CCc3ccccc3C2)CC1 ZINC000541985742 504324178 /nfs/dbraw/zinc/32/41/78/504324178.db2.gz LRNSJJQXYIGLAT-HBMCJLEFSA-N 2 0 355.570 3.282 20 0 FGADRP CC[N@@H+](Cc1ccc2c(c1)nnn2C)CC1CCN(c2ccccn2)CC1 ZINC000538717198 504339761 /nfs/dbraw/zinc/33/97/61/504339761.db2.gz JSOXQPUKPFUHNK-UHFFFAOYSA-N 2 0 364.497 3.102 20 0 FGADRP CCC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N1CC[C@@H](C[NH+](C)CC)C1 ZINC000528703529 504339854 /nfs/dbraw/zinc/33/98/54/504339854.db2.gz PNJWEVURKAWRTD-BHDDXSALSA-N 2 0 371.569 3.335 20 0 FGADRP O=C(NC[C@H]1CCC[N@@H+]1C1CCCCC1)Nc1ccc2c(c1)OCC[NH2+]C2 ZINC000528711119 504343789 /nfs/dbraw/zinc/34/37/89/504343789.db2.gz YCKIPRNPQHMMJE-LJQANCHMSA-N 2 0 372.513 3.087 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCc1cnn(C)c1C(F)(F)F ZINC000548160182 504353142 /nfs/dbraw/zinc/35/31/42/504353142.db2.gz JXAZUTAINOLDPS-PBHICJAKSA-N 2 0 366.431 3.439 20 0 FGADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CCc3cccc(C(F)(F)F)c3C2)CC1 ZINC000528792235 504384739 /nfs/dbraw/zinc/38/47/39/504384739.db2.gz BXMALLMTLHGFOB-UHFFFAOYSA-N 2 0 369.475 3.480 20 0 FGADRP CC[C@H](C(=O)NC[C@@H]1CCCCN1Cc1cccc(Cl)c1)[NH+](C)C ZINC000531709080 504399740 /nfs/dbraw/zinc/39/97/40/504399740.db2.gz DYDIOEPCKZQGPK-ZWKOTPCHSA-N 2 0 351.922 3.151 20 0 FGADRP COc1ccc([C@H](C)[NH2+]C2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)cc1Cl ZINC000539058555 504460500 /nfs/dbraw/zinc/46/05/00/504460500.db2.gz KXQVIOFHIJMQIU-KKXDTOCCSA-N 2 0 352.906 3.377 20 0 FGADRP CC[N@H+](CCC1CC[NH+](Cc2cc(=O)n3ccccc3n2)CC1)CC(C)C ZINC000539097026 504470817 /nfs/dbraw/zinc/47/08/17/504470817.db2.gz PJERCUDERPCNNZ-UHFFFAOYSA-N 2 0 370.541 3.275 20 0 FGADRP CCC[NH+]1CCN(c2ccccc2CNC2CC[NH+](CC3CC3)CC2)CC1 ZINC000532042688 504516050 /nfs/dbraw/zinc/51/60/50/504516050.db2.gz UDAULASMZSEKTJ-UHFFFAOYSA-N 2 0 370.585 3.183 20 0 FGADRP C[C@@H]1CCCC[C@@H]1[N@H+](C)CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000548730143 504544537 /nfs/dbraw/zinc/54/45/37/504544537.db2.gz NGFVXKUYIDUCRT-NQIIRXRSSA-N 2 0 357.542 3.409 20 0 FGADRP Cc1cccc(C)c1OCC[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000542596237 504549640 /nfs/dbraw/zinc/54/96/40/504549640.db2.gz VBOIGBFSAFMJGE-UHFFFAOYSA-N 2 0 359.558 3.032 20 0 FGADRP C[C@@H]([NH2+][C@H](CN1CC[NH+](C)CC1)c1ccccc1)c1ccc2c(c1)OCO2 ZINC000532220772 504577956 /nfs/dbraw/zinc/57/79/56/504577956.db2.gz XDBVOLWNNAANCB-YLJYHZDGSA-N 2 0 367.493 3.055 20 0 FGADRP CC[NH+](CC)Cc1ccccc1CNC(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000520772947 504578078 /nfs/dbraw/zinc/57/80/78/504578078.db2.gz MVKWJJXOSDPQTH-NRFANRHFSA-N 2 0 372.557 3.298 20 0 FGADRP C[C@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+][C@H]1CN(C2CC2)C[C@@H]1C ZINC000532246556 504584323 /nfs/dbraw/zinc/58/43/23/504584323.db2.gz UBNQPKLJWZVHRV-AHIWAGSCSA-N 2 0 369.431 3.495 20 0 FGADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000535939325 504588574 /nfs/dbraw/zinc/58/85/74/504588574.db2.gz XONXZKXTZYXOFA-VQTJNVASSA-N 2 0 364.578 3.014 20 0 FGADRP C[N@@H+]1CCN(CCC[NH2+]Cc2cccc(F)c2F)[C@H](c2ccccc2)C1 ZINC000520951801 504615619 /nfs/dbraw/zinc/61/56/19/504615619.db2.gz MVZRBIUNPGGFQY-FQEVSTJZSA-N 2 0 359.464 3.433 20 0 FGADRP C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)N[C@H]3CC[NH2+]C34CCC4)cc2)C1 ZINC000529290644 504621646 /nfs/dbraw/zinc/62/16/46/504621646.db2.gz UJBRJIVYRJXHGC-PXNSSMCTSA-N 2 0 370.541 3.002 20 0 FGADRP CCCOc1ccc(C[NH2+]CC2(O)CC[NH+](C(C)C)CC2)cc1OCC ZINC000532373835 504626857 /nfs/dbraw/zinc/62/68/57/504626857.db2.gz LYLFUEPUAYTTHL-UHFFFAOYSA-N 2 0 364.530 3.199 20 0 FGADRP C[C@@H]1[C@@H](NC(=O)Nc2ccc3c(c2)C[NH2+]CC3)CC[N@@H+]1Cc1ccccc1 ZINC000521001353 504627391 /nfs/dbraw/zinc/62/73/91/504627391.db2.gz QZOBISWQMAIEOO-IERDGZPVSA-N 2 0 364.493 3.117 20 0 FGADRP C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+]CCCC[NH+]1CCN(C)CC1 ZINC000545980785 504664503 /nfs/dbraw/zinc/66/45/03/504664503.db2.gz HELLOHXQXOWRQW-MRXNPFEDSA-N 2 0 357.464 3.254 20 0 FGADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](C)CC(=O)Nc2cc(Cl)ccc2OC)C1 ZINC000532479465 504665336 /nfs/dbraw/zinc/66/53/36/504665336.db2.gz QDZUPBQHMFQMFN-HUUCEWRRSA-N 2 0 367.921 3.387 20 0 FGADRP C[N@H+](CCC(=O)NCC1([NH+]2CCSCC2)CCCC1)C1CCCCC1 ZINC000546016206 504675324 /nfs/dbraw/zinc/67/53/24/504675324.db2.gz RNPMZSWJFMQNOT-UHFFFAOYSA-N 2 0 367.603 3.119 20 0 FGADRP O=C(Nc1cccc2c1CC[NH2+]C2)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000521214493 504681847 /nfs/dbraw/zinc/68/18/47/504681847.db2.gz AHVUQCATOONBNO-UHFFFAOYSA-N 2 0 364.493 3.072 20 0 FGADRP Fc1ccc(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)c2ncccc12 ZINC000539823148 504705005 /nfs/dbraw/zinc/70/50/05/504705005.db2.gz RVDWJCKYKSGOAB-UHFFFAOYSA-N 2 0 357.473 3.451 20 0 FGADRP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000521309787 504706213 /nfs/dbraw/zinc/70/62/13/504706213.db2.gz WJRZMLFLKCEKSG-FQEVSTJZSA-N 2 0 364.578 3.301 20 0 FGADRP CCCOc1ccc(C[NH+]2CCC(OCC[NH+](C)C)CC2)cc1OC ZINC000539832163 504709549 /nfs/dbraw/zinc/70/95/49/504709549.db2.gz ZJSLJAOOFNCELS-UHFFFAOYSA-N 2 0 350.503 3.027 20 0 FGADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1cccc(-c2ccncc2)c1 ZINC000539895582 504732936 /nfs/dbraw/zinc/73/29/36/504732936.db2.gz FBWWEMAMNUSEFI-VSKRKVRLSA-N 2 0 351.494 3.432 20 0 FGADRP CN(c1ccccc1C[N@@H+]1CCC[C@@H]([C@H]2CCOC2)C1)C1CC[NH+](C)CC1 ZINC000539899336 504734962 /nfs/dbraw/zinc/73/49/62/504734962.db2.gz DRFQOPILYOGUIM-CTNGQTDRSA-N 2 0 371.569 3.466 20 0 FGADRP C[C@H](C(=O)NC(C)(C)C)[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000536486998 504746675 /nfs/dbraw/zinc/74/66/75/504746675.db2.gz XXKGWUXJVAMISQ-GOSISDBHSA-N 2 0 357.542 3.278 20 0 FGADRP CCCCCNC(=O)C[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000536487937 504747107 /nfs/dbraw/zinc/74/71/07/504747107.db2.gz JEMDPRPMXWUXOB-UHFFFAOYSA-N 2 0 357.542 3.281 20 0 FGADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2ccc(C)cc2-c2ccnn2C)C1 ZINC000559069552 504773217 /nfs/dbraw/zinc/77/32/17/504773217.db2.gz OWFZLDJAPCTZGZ-HXUWFJFHSA-N 2 0 370.541 3.328 20 0 FGADRP C[NH+]1CCC2(CC1)C[C@H]([NH2+]Cc1ccccc1CO)c1ccccc1O2 ZINC000559111771 504784700 /nfs/dbraw/zinc/78/47/00/504784700.db2.gz QZPCZOMDIFAHTE-FQEVSTJZSA-N 2 0 352.478 3.257 20 0 FGADRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]C[C@H](O)Cc1ccc(F)cc1 ZINC000559151791 504792346 /nfs/dbraw/zinc/79/23/46/504792346.db2.gz QIDRLXAEJSXGDC-FKKSXTGDSA-N 2 0 370.512 3.475 20 0 FGADRP CC(=O)c1ccccc1NC(=O)CCCN1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000562358138 504794216 /nfs/dbraw/zinc/79/42/16/504794216.db2.gz ZCHAJRVBEZUKKT-IBGZPJMESA-N 2 0 371.525 3.416 20 0 FGADRP CC[NH+](CC)CC1CCN(C(=O)c2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000549419931 504817891 /nfs/dbraw/zinc/81/78/91/504817891.db2.gz AIAAXVKBTGLDCI-UHFFFAOYSA-N 2 0 357.542 3.476 20 0 FGADRP CCO[C@@H]1C[C@H]([NH2+][C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)[C@@H]1n1cccn1 ZINC000556270141 504832675 /nfs/dbraw/zinc/83/26/75/504832675.db2.gz ZVYIWHXRMUDYMG-VOFPXKNKSA-N 2 0 368.525 3.102 20 0 FGADRP CC[NH+](CC)CCN(CC(C)C)C(=O)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000553197193 504850188 /nfs/dbraw/zinc/85/01/88/504850188.db2.gz YHQNFDBRDHFREZ-IBGZPJMESA-N 2 0 369.619 3.030 20 0 FGADRP C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000556405596 504865248 /nfs/dbraw/zinc/86/52/48/504865248.db2.gz CKNDURVYDQYQBA-SFHVURJKSA-N 2 0 357.542 3.087 20 0 FGADRP CC[C@H](C(=O)N1CCC([NH+]2CCCCC2)CC1)[N@H+](C)Cc1ccccc1 ZINC000549749752 504887228 /nfs/dbraw/zinc/88/72/28/504887228.db2.gz HRXNNEVVFXJWMP-OAQYLSRUSA-N 2 0 357.542 3.374 20 0 FGADRP C[N@@H+]1CCN(CCC[NH2+]C2CCC3(CCCO3)CC2)[C@@H](c2ccccc2)C1 ZINC000556510388 504893557 /nfs/dbraw/zinc/89/35/57/504893557.db2.gz JRRYQQICKLYXPU-OOMBGRCJSA-N 2 0 371.569 3.447 20 0 FGADRP COc1cc(C[N@@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)cc2ccccc21 ZINC000562649618 504894511 /nfs/dbraw/zinc/89/45/11/504894511.db2.gz NITNMLGETRVGAR-NRFANRHFSA-N 2 0 367.537 3.449 20 0 FGADRP CN(CCC[N@H+](C)Cc1ccco1)C(=O)[C@H]1CCC[NH+]1Cc1ccccc1 ZINC000553405062 504905575 /nfs/dbraw/zinc/90/55/75/504905575.db2.gz ZGVYRWWKELSUSW-OAQYLSRUSA-N 2 0 369.509 3.225 20 0 FGADRP C[N@H+](C[C@@H](O)Cc1ccc(F)cc1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000549861090 504920118 /nfs/dbraw/zinc/92/01/18/504920118.db2.gz XVDZJTRVHIIYFM-UNMCSNQZSA-N 2 0 356.485 3.183 20 0 FGADRP C[C@@H]1C[NH+](CCCC[NH2+][C@@H]2CCN(C)[C@@H](c3ccccc3)C2)C[C@@H](C)O1 ZINC000559742854 504921363 /nfs/dbraw/zinc/92/13/63/504921363.db2.gz GQLYLJCLAMNTAR-UGESXGAOSA-N 2 0 359.558 3.301 20 0 FGADRP CCCN(CC[NH+]1CCCCC1)C(=O)[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000553487303 504929334 /nfs/dbraw/zinc/92/93/34/504929334.db2.gz SCLJSGXIFRFSTA-OAQYLSRUSA-N 2 0 372.557 3.018 20 0 FGADRP Cc1nn(-c2cccc(F)c2)cc1C[NH+]1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000562750317 504932584 /nfs/dbraw/zinc/93/25/84/504932584.db2.gz GNTIUXVSYOCFAR-SFTDATJTSA-N 2 0 372.488 3.038 20 0 FGADRP CC[C@H](Cn1cncn1)[NH2+]Cc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000559896618 504946838 /nfs/dbraw/zinc/94/68/38/504946838.db2.gz VSQNTSUCPFFDCD-LVCYWYKZSA-N 2 0 355.530 3.324 20 0 FGADRP C[C@@H](NC(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1)[C@H]1CCC[NH2+]C1 ZINC000562795987 504948520 /nfs/dbraw/zinc/94/85/20/504948520.db2.gz FYXVMAMXQBPSMW-NQIIRXRSSA-N 2 0 372.557 3.250 20 0 FGADRP CC[C@@H](C(=O)NC[C@H](c1ccccc1)[NH+](C)C)[N@H+](C)Cc1ccccc1 ZINC000550128071 504972394 /nfs/dbraw/zinc/97/23/94/504972394.db2.gz XOPOBDJOHCHGRV-LEWJYISDSA-N 2 0 353.510 3.316 20 0 FGADRP CNC(=O)C(C)(C)C[NH2+][C@@H]1CCCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000556886238 505007276 /nfs/dbraw/zinc/00/72/76/505007276.db2.gz KDNUJPUOQOXSOO-XUVXKRRUSA-N 2 0 357.542 3.039 20 0 FGADRP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](Cc2cnn(-c3ccc(Cl)cc3)c2)CC1 ZINC000556963980 505032602 /nfs/dbraw/zinc/03/26/02/505032602.db2.gz UEZGDXXTYMLKHQ-WOJBJXKFSA-N 2 0 374.916 3.244 20 0 FGADRP C[C@H]([NH2+]C(C)(C)CNC(=O)N1CCC([C@H]2CC[NH2+]C2)CC1)c1ccccc1 ZINC000565940744 505033271 /nfs/dbraw/zinc/03/32/71/505033271.db2.gz QYOHFKWQQSZFRE-PXNSSMCTSA-N 2 0 372.557 3.147 20 0 FGADRP C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)C[C@H]3CCCC[C@@H]3[NH3+])cc2)C1 ZINC000563060545 505036547 /nfs/dbraw/zinc/03/65/47/505036547.db2.gz IJWVGVJIHHJLDC-UIFIKXQLSA-N 2 0 357.542 3.442 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)[C@H]1C[NH2+]Cc2ccccc21)c1ccsc1 ZINC000563060293 505036768 /nfs/dbraw/zinc/03/67/68/505036768.db2.gz CFRKZVZUHQEDBP-RBUKOAKNSA-N 2 0 357.523 3.134 20 0 FGADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)NCc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000563065328 505038298 /nfs/dbraw/zinc/03/82/98/505038298.db2.gz HQBIIXDHRRRSIH-JXFKEZNVSA-N 2 0 351.494 3.029 20 0 FGADRP COc1nc2ccccc2cc1C[NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000560327713 505047002 /nfs/dbraw/zinc/04/70/02/505047002.db2.gz MZDOHLUNXNGGPT-CALCHBBNSA-N 2 0 357.498 3.222 20 0 FGADRP C[C@@H]([NH2+]CCNc1ncc(C(F)(F)F)cc1Cl)[C@H]1CCC[NH2+]C1 ZINC000566062412 505069386 /nfs/dbraw/zinc/06/93/86/505069386.db2.gz FUUIJLVCENXJLX-MNOVXSKESA-N 2 0 350.816 3.143 20 0 FGADRP Cc1nc2ccccc2n1CC[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000566089577 505077282 /nfs/dbraw/zinc/07/72/82/505077282.db2.gz RRXSIHZGIYQBDN-DENIHFKCSA-N 2 0 362.477 3.190 20 0 FGADRP Cc1ccc(NC(=O)C2(C[NH2+][C@@H]3CCOC[C@@H]3[C@H](C)[NH3+])CCCC2)cc1C ZINC000566089337 505077476 /nfs/dbraw/zinc/07/74/76/505077476.db2.gz ZVSORZSDUHPHBP-DFQSSKMNSA-N 2 0 373.541 3.144 20 0 FGADRP CC(C)(C)[C@@H]1CC[C@@H]1[NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000554072041 505081477 /nfs/dbraw/zinc/08/14/77/505081477.db2.gz OZAVCZNIJFFLEW-ZCNNSNEGSA-N 2 0 357.542 3.298 20 0 FGADRP C[C@@H]([NH2+]CCC(=O)Nc1cccc(Br)c1)C(C)(C)C[NH+](C)C ZINC000566116076 505086185 /nfs/dbraw/zinc/08/61/85/505086185.db2.gz NVOPWNOXDVLQLT-CYBMUJFWSA-N 2 0 370.335 3.344 20 0 FGADRP C[N@@H+]1CC[C@@H](NCC2([NH+]3CCCCC3)CCOCC2)C[C@@H]1c1ccccc1 ZINC000550700347 505086305 /nfs/dbraw/zinc/08/63/05/505086305.db2.gz GASOQRJJKYWSGV-FGZHOGPDSA-N 2 0 371.569 3.447 20 0 FGADRP CCc1ccc([C@H](CNC(=O)N[C@@H]2C[C@@H](C)n3ccnc32)[NH+](C)C)cc1 ZINC000560492804 505103241 /nfs/dbraw/zinc/10/32/41/505103241.db2.gz UEZXURKSBRTIPR-OLMNPRSZSA-N 2 0 355.486 3.053 20 0 FGADRP CC[NH+](CC)CC(=O)Nc1cccc(N[C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)c1 ZINC000554145693 505105009 /nfs/dbraw/zinc/10/50/09/505105009.db2.gz VNMRRMUNMHTKMP-AQNXPRMDSA-N 2 0 358.530 3.252 20 0 FGADRP CCO[C@@H]1C[C@]([NH3+])(C(=O)Nc2ccc3c(c2)nc(C(C)(C)C)n3C)C1(C)C ZINC000566191851 505108583 /nfs/dbraw/zinc/10/85/83/505108583.db2.gz XHVRCUWXAJQDQS-IERDGZPVSA-N 2 0 372.513 3.342 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2ccccc2-n2ccnn2)[C@@H](C)C1 ZINC000560524568 505115017 /nfs/dbraw/zinc/11/50/17/505115017.db2.gz GKBMMFPHZUOJRU-BJLQDIEVSA-N 2 0 371.529 3.055 20 0 FGADRP COCC[N@H+](CCCc1cncn1C)Cc1ccc(Br)s1 ZINC000563352296 505117430 /nfs/dbraw/zinc/11/74/30/505117430.db2.gz BSHIHPYFQAYGRC-UHFFFAOYSA-N 2 0 372.332 3.325 20 0 FGADRP CCc1ccc([C@H](CNC(=O)N2C[C@@H]([NH+]3CCCC3)C[C@H]2C)[NH+](C)C)cc1 ZINC000554217063 505117818 /nfs/dbraw/zinc/11/78/18/505117818.db2.gz UYYDYUNQVKVFOO-QMMLZNLJSA-N 2 0 372.557 3.120 20 0 FGADRP CCn1ccnc1C[N@H+](CCCc1ccc(C)nc1)[C@H]1CC12CC[NH2+]CC2 ZINC000566230481 505119241 /nfs/dbraw/zinc/11/92/41/505119241.db2.gz FBYQCSJXRRFIAC-FQEVSTJZSA-N 2 0 367.541 3.183 20 0 FGADRP CC[C@H](C)[NH2+][C@H](CNC(=O)NCC(C)(C)[NH+]1CCCCC1)c1ccco1 ZINC000554255265 505126757 /nfs/dbraw/zinc/12/67/57/505126757.db2.gz RCUYTHSPCVNYFX-DLBZAZTESA-N 2 0 364.534 3.273 20 0 FGADRP CC(C)[N@@H+]1CCCC[C@@H]1CN1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000551070112 505151943 /nfs/dbraw/zinc/15/19/43/505151943.db2.gz TXYYTGWGJBVSOE-SFHLNBCPSA-N 2 0 351.579 3.071 20 0 FGADRP Cc1cc(C[NH+](C)C)cc(NC(=O)C2CC[NH+]([C@H]3CCSC3)CC2)c1 ZINC000557662948 505197181 /nfs/dbraw/zinc/19/71/81/505197181.db2.gz IDWPKNNZHAPMKT-IBGZPJMESA-N 2 0 361.555 3.213 20 0 FGADRP C[C@H]([NH2+][C@@H]1CCN(CC(F)(F)F)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000554549626 505204044 /nfs/dbraw/zinc/20/40/44/505204044.db2.gz FACCCIHTLNBWAQ-CGTJXYLNSA-N 2 0 355.448 3.123 20 0 FGADRP O=C(NC[C@@H]1CCC[N@H+](CC[C@H]2CCC[NH2+]C2)C1)Nc1cccc(F)c1 ZINC000563664699 505204906 /nfs/dbraw/zinc/20/49/06/505204906.db2.gz AEHLSBKNZBTNSM-SJORKVTESA-N 2 0 362.493 3.049 20 0 FGADRP CSC1(C[NH2+][C@H](C)c2cncc(Br)c2)CC[NH+](C)CC1 ZINC000566571768 505210011 /nfs/dbraw/zinc/21/00/11/505210011.db2.gz DHFBXWAOAUJZGJ-GFCCVEGCSA-N 2 0 358.349 3.322 20 0 FGADRP COc1ccc2c(c1)CN(C[C@@H]1C[N@H+](Cc3ccccc3)CCCO1)CC2 ZINC000551382240 505213560 /nfs/dbraw/zinc/21/35/60/505213560.db2.gz NAQBJOGBYJPAKY-QHCPKHFHSA-N 2 0 366.505 3.344 20 0 FGADRP COc1cccc(C[NH+]2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)c1OC(C)C ZINC000560979711 505221595 /nfs/dbraw/zinc/22/15/95/505221595.db2.gz PFYHGVQAZIYCII-AZUAARDMSA-N 2 0 362.514 3.201 20 0 FGADRP CCC[N@@H+](CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1)CC(C)C ZINC000558060295 505298788 /nfs/dbraw/zinc/29/87/88/505298788.db2.gz LEWJCGUBSKKIKT-UHFFFAOYSA-N 2 0 359.558 3.444 20 0 FGADRP CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCC[NH+](Cc2cccc(F)c2)C1 ZINC000561426528 505342017 /nfs/dbraw/zinc/34/20/17/505342017.db2.gz MRAGAWCKDJYKHO-ICSRJNTNSA-N 2 0 361.505 3.028 20 0 FGADRP C[C@H]1C[C@@H](NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c2nccn21 ZINC000567076914 505356436 /nfs/dbraw/zinc/35/64/36/505356436.db2.gz LDMYUFRDNPSESN-KCITZHQASA-N 2 0 367.497 3.099 20 0 FGADRP CCCN(CC[NH+]1CCCCC1)C(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000558377585 505371031 /nfs/dbraw/zinc/37/10/31/505371031.db2.gz UXNZKMVWVCCHHW-UHFFFAOYSA-N 2 0 360.546 3.156 20 0 FGADRP CC[C@H]([NH2+][C@H](C)CN1CC[NH+](C)CC1)c1ccc(OC(F)(F)F)cc1 ZINC000552044854 505380494 /nfs/dbraw/zinc/38/04/94/505380494.db2.gz PYNXWTOJTREYOE-PBHICJAKSA-N 2 0 359.436 3.262 20 0 FGADRP C[NH+](C)CCCN(CCC[NH+](C)C)Cc1cc(Br)ccc1F ZINC000564314838 505380895 /nfs/dbraw/zinc/38/08/95/505380895.db2.gz IMPOPVSOADXGHQ-UHFFFAOYSA-N 2 0 374.342 3.294 20 0 FGADRP C[C@H](CCc1ccc(Cl)s1)[NH2+]CC(=O)NCC[NH+]1CCCCCC1 ZINC000552064766 505387779 /nfs/dbraw/zinc/38/77/79/505387779.db2.gz NDSLLNGRYUUINN-OAHLLOKOSA-N 2 0 371.978 3.304 20 0 FGADRP C[C@H]1CCCC[C@@H]1[NH+]1CCC(NCc2ccncc2OCC[NH+](C)C)CC1 ZINC000561782965 505437234 /nfs/dbraw/zinc/43/72/34/505437234.db2.gz SGEKILNNTXZSER-RXVVDRJESA-N 2 0 374.573 3.155 20 0 FGADRP C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)N2CCNC[C@@](C)(F)C2)c1 ZINC000567351303 505438269 /nfs/dbraw/zinc/43/82/69/505438269.db2.gz FXFBBSKVSNOXPL-JOCHJYFZSA-N 2 0 369.484 3.092 20 0 FGADRP C[N@@H+]1CC[C@H]([NH2+]CCc2ccc(OCC(F)(F)F)nc2)[C@H]2CCC[C@@H]21 ZINC000552281959 505449505 /nfs/dbraw/zinc/44/95/05/505449505.db2.gz PXDQGJFURQETFQ-PMPSAXMXSA-N 2 0 357.420 3.028 20 0 FGADRP CC(C)[N@@H+](C)C[C@H](C)NC(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000564568046 505455543 /nfs/dbraw/zinc/45/55/43/505455543.db2.gz MCFPWASTITXJPG-SFHVURJKSA-N 2 0 360.546 3.200 20 0 FGADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2cnc(C)n2-c2ccccc2)C1 ZINC000552344056 505468079 /nfs/dbraw/zinc/46/80/79/505468079.db2.gz VRFQGOZCQULICH-OAQYLSRUSA-N 2 0 356.514 3.113 20 0 FGADRP CN1CC[NH+](CC2CC[NH+]([C@H]3CC[C@](C)(c4ccccc4)C3)CC2)CC1 ZINC000561976436 505483113 /nfs/dbraw/zinc/48/31/13/505483113.db2.gz FKAXGDNHVGNWPL-GOTSBHOMSA-N 2 0 355.570 3.456 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccc2cc(C)ccc2n1 ZINC000555683995 505491086 /nfs/dbraw/zinc/49/10/86/505491086.db2.gz OEQXJFYBUDZOCD-IBGZPJMESA-N 2 0 368.525 3.031 20 0 FGADRP FC(F)(F)[C@H]1C[C@@H]([NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)CCO1 ZINC000562042088 505499959 /nfs/dbraw/zinc/49/99/59/505499959.db2.gz QLVMBZPMUVWGRO-FUHWJXTLSA-N 2 0 372.431 3.361 20 0 FGADRP C[NH+](C)[C@@H](CNC(=O)c1ccc(C[NH+]2CCCC2)cc1)Cc1ccccc1 ZINC000558820478 505502314 /nfs/dbraw/zinc/50/23/14/505502314.db2.gz BYUBZQUYFMHQJP-JOCHJYFZSA-N 2 0 365.521 3.185 20 0 FGADRP C[C@H](c1nc(-c2ccccc2)no1)[NH+]1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000567573902 505502920 /nfs/dbraw/zinc/50/29/20/505502920.db2.gz MREQCBRHGIJIQW-FHLIZLRMSA-N 2 0 356.470 3.016 20 0 FGADRP COc1ccc([C@H](Cc2ccccc2)[NH2+][C@@H](C)CN2CC[NH+](C)CC2)cc1 ZINC000562095992 505517973 /nfs/dbraw/zinc/51/79/73/505517973.db2.gz PEWCWCRAARLDSN-CVDCTZTESA-N 2 0 367.537 3.205 20 0 FGADRP CC(C)[NH2+]CCC[NH2+][C@H](C)CC(=O)Nc1ccc(Br)cc1 ZINC000567638473 505522052 /nfs/dbraw/zinc/52/20/52/505522052.db2.gz DRLFFWBIVYVVQI-CYBMUJFWSA-N 2 0 356.308 3.144 20 0 FGADRP C[C@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)[C@@H]1C[C@H]1c1ccccc1 ZINC000558920613 505530585 /nfs/dbraw/zinc/53/05/85/505530585.db2.gz PXBCUDMRDNAXEQ-YYWHXJBOSA-N 2 0 350.510 3.115 20 0 FGADRP Cc1cc(C(C)(C)C)ccc1OC[C@@H](O)C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000564844347 505536024 /nfs/dbraw/zinc/53/60/24/505536024.db2.gz HTYARZQINSASPI-NRFANRHFSA-N 2 0 374.569 3.496 20 0 FGADRP CC[C@@H](C(=O)NCc1ccc(CC[NH+](C)C)cc1)[N@H+](C)Cc1ccccc1 ZINC000562195387 505537294 /nfs/dbraw/zinc/53/72/94/505537294.db2.gz BUFWATRZUFXAKT-QFIPXVFZSA-N 2 0 367.537 3.318 20 0 FGADRP C[NH+](C)[C@H]1CCc2cc(NC[C@@H](O)C[N@@H+]3CCc4ccccc4C3)ccc21 ZINC000567706551 505544378 /nfs/dbraw/zinc/54/43/78/505544378.db2.gz WBHUBIHCDFRIKX-GGAORHGYSA-N 2 0 365.521 3.067 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)N2CCc3ccccc3[C@H]2C[NH3+])C1 ZINC000564938733 505561997 /nfs/dbraw/zinc/56/19/97/505561997.db2.gz SHCXGVQJODUBHH-LVCYWYKZSA-N 2 0 372.557 3.012 20 0 FGADRP C[C@H](NC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1)c1cccc2ccccc21 ZINC000564987706 505565654 /nfs/dbraw/zinc/56/56/54/505565654.db2.gz GJQTZXXEFFQYFV-XQRZMJPBSA-N 2 0 365.521 3.465 20 0 FGADRP Cc1ccc([C@@H](CNC(=O)NCc2ccc(C[NH3+])cc2)[NH+]2CCCC2)cc1 ZINC000567821707 505566012 /nfs/dbraw/zinc/56/60/12/505566012.db2.gz IKQDMYDUAKRYKQ-OAQYLSRUSA-N 2 0 366.509 3.090 20 0 FGADRP C[C@H](c1cc2ccccc2o1)N(C)C(=O)CN1CC[C@]2(C1)CCC[NH2+]C2 ZINC000567889749 505570039 /nfs/dbraw/zinc/57/00/39/505570039.db2.gz QJYSUIIGAZWDTN-IIBYNOLFSA-N 2 0 355.482 3.028 20 0 FGADRP CC[C@H](C)[N@H+](C)CCNC(=O)NCc1ccc(C[NH+]2CCC[C@H](C)C2)cc1 ZINC000589209027 506485519 /nfs/dbraw/zinc/48/55/19/506485519.db2.gz KMORRMCRIVOUFN-OALUTQOASA-N 2 0 374.573 3.448 20 0 FGADRP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)NCc1ccccc1C[NH+]1CCC[C@@H](C)C1 ZINC000583136784 506609690 /nfs/dbraw/zinc/60/96/90/506609690.db2.gz RFIYUJUZBVJXBR-RTBURBONSA-N 2 0 374.573 3.446 20 0 FGADRP C[C@@H]1C[NH+](Cc2ccc(C[NH2+]Cc3[nH]nc4ccccc43)cc2)C[C@@H](C)O1 ZINC000589639255 506615399 /nfs/dbraw/zinc/61/53/99/506615399.db2.gz ZDKNPDNIYQZUBE-IAGOWNOFSA-N 2 0 364.493 3.462 20 0 FGADRP C[NH+](C)C1(CNC(=O)N2CC[C@@H]([N@H+](C)Cc3ccccc3)C2)CCCCC1 ZINC000608617256 506633627 /nfs/dbraw/zinc/63/36/27/506633627.db2.gz UYUSLABVRXJHGP-HXUWFJFHSA-N 2 0 372.557 3.167 20 0 FGADRP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N1CC[C@H]([NH+](C)Cc2ccccc2)C1 ZINC000608650977 506648878 /nfs/dbraw/zinc/64/88/78/506648878.db2.gz VQGCYZVBDSVRCQ-SBHAEUEKSA-N 2 0 372.557 3.023 20 0 FGADRP CC[NH+](Cc1cccc(C[N@H+](CC)C[C@H]2CCOC2)c1)C[C@H]1CCOC1 ZINC000604052043 506698454 /nfs/dbraw/zinc/69/84/54/506698454.db2.gz DVICPEWTZNYMJT-FGZHOGPDSA-N 2 0 360.542 3.403 20 0 FGADRP CC[NH+](Cc1ccc(C[N@H+](CC)C[C@@H]2CCOC2)cc1)C[C@@H]1CCOC1 ZINC000604054183 506700923 /nfs/dbraw/zinc/70/09/23/506700923.db2.gz YFNCYKIMMODPPU-VXKWHMMOSA-N 2 0 360.542 3.403 20 0 FGADRP CSC1(C[NH2+]Cc2cn(-c3cccc(C)c3)nc2C)CC[NH+](C)CC1 ZINC000593630946 506709061 /nfs/dbraw/zinc/70/90/61/506709061.db2.gz XZFXVVYVGNOXEC-UHFFFAOYSA-N 2 0 358.555 3.406 20 0 FGADRP O=C(N[C@H](C[NH+]1CCCCC1)c1ccccc1)NC1CC[NH+](C2CC2)CC1 ZINC000604165030 506733211 /nfs/dbraw/zinc/73/32/11/506733211.db2.gz WTVHZSOZIZGFRB-OAQYLSRUSA-N 2 0 370.541 3.140 20 0 FGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000583491482 506808060 /nfs/dbraw/zinc/80/80/60/506808060.db2.gz YWSKTVTVJDTPMV-GMAHTHKFSA-N 2 0 369.553 3.374 20 0 FGADRP CC[NH+]1CCC(CNC(=O)NC[C@@H]2CCC[N@@H+]2CC2CCCCC2)CC1 ZINC000583648174 506893892 /nfs/dbraw/zinc/89/38/92/506893892.db2.gz AEYSLDLYYNGJKZ-FQEVSTJZSA-N 2 0 364.578 3.062 20 0 FGADRP CC[NH+](CC)CCCNC(=O)C1CC[NH+](C[C@H]2CCCC[C@@H]2C)CC1 ZINC000583661291 506899889 /nfs/dbraw/zinc/89/98/89/506899889.db2.gz JDRYCBCFLBYOPS-AZUAARDMSA-N 2 0 351.579 3.373 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)NCC[NH+]2[C@H](C)CCC[C@@H]2C)C1 ZINC000594103882 506941781 /nfs/dbraw/zinc/94/17/81/506941781.db2.gz QHEHDHLGNCTNHF-FGYAAKKASA-N 2 0 366.594 3.307 20 0 FGADRP Cc1ccc([C@H](CNC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)[NH+](C)C)cc1 ZINC000604784713 506942892 /nfs/dbraw/zinc/94/28/92/506942892.db2.gz NIHMEIQHJWQCPZ-RBUKOAKNSA-N 2 0 362.562 3.263 20 0 FGADRP Cc1cccn2cc(COc3ccc(C[NH2+][C@@H](C)C[C@H](C)[NH3+])cc3)nc12 ZINC000583752954 506952867 /nfs/dbraw/zinc/95/28/67/506952867.db2.gz IWIGCGFGOVPCCV-IRXDYDNUSA-N 2 0 352.482 3.437 20 0 FGADRP CC(C)[N@H+](C)CC1CC[NH+]([C@H](C)C(=O)NCc2ccc(Cl)cc2)CC1 ZINC000590786778 506958871 /nfs/dbraw/zinc/95/88/71/506958871.db2.gz MMMMCCCVFAEFBZ-MRXNPFEDSA-N 2 0 365.949 3.397 20 0 FGADRP CC[N@H+](Cc1ccc(C(=O)N2C[C@H]3CCCC[NH+]3C[C@H]2C)cc1)C1CC1 ZINC000604967543 507008761 /nfs/dbraw/zinc/00/87/61/507008761.db2.gz DGAHAPCJBCGDDO-DYESRHJHSA-N 2 0 355.526 3.370 20 0 FGADRP CC[C@H](CC(=O)Nc1c[nH+]ccc1N1CCN(C)CC1)c1ccccc1 ZINC000590888080 507017894 /nfs/dbraw/zinc/01/78/94/507017894.db2.gz LYHFGYBWMXPEKN-QGZVFWFLSA-N 2 0 352.482 3.356 20 0 FGADRP CCOC(=O)C1([C@@H](C)[NH2+]CC2(C(F)(F)F)CCCC2)CC[NH2+]CC1 ZINC000600710633 507076787 /nfs/dbraw/zinc/07/67/87/507076787.db2.gz PUSRPKOWBHFSAF-CYBMUJFWSA-N 2 0 350.425 3.020 20 0 FGADRP CCCC[N@H+](C)CC1CC[NH+](C[C@@H](O)COc2cc(C)ccc2C)CC1 ZINC000613491524 507117550 /nfs/dbraw/zinc/11/75/50/507117550.db2.gz VVLSDXDSIWRHTP-OAQYLSRUSA-N 2 0 362.558 3.487 20 0 FGADRP CC(C[NH+]1CC[C@@H](c2cccnc2)C1)C[N@@H+]1CC[C@@H](c2cccnc2)C1 ZINC000584051173 507123824 /nfs/dbraw/zinc/12/38/24/507123824.db2.gz LFQDRPQAQIEIOR-FGZHOGPDSA-N 2 0 350.510 3.392 20 0 FGADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1ccc(Oc2ccc(F)cc2)cc1 ZINC000591285568 507185249 /nfs/dbraw/zinc/18/52/49/507185249.db2.gz DHTZWCYRFAFRHC-UHFFFAOYSA-N 2 0 373.472 3.183 20 0 FGADRP CC(C)[N@H+](C)CC1CCN(C(=O)[C@H](C)[NH+]2CCc3ccccc3C2)CC1 ZINC000600966709 507210382 /nfs/dbraw/zinc/21/03/82/507210382.db2.gz BFDCYSLTVOKMSP-SFHVURJKSA-N 2 0 357.542 3.012 20 0 FGADRP Cc1ccc([C@H]([NH2+]Cc2ccc(N3CC[NH+](C)CC3)nc2)C2CCC2)o1 ZINC000584259735 507240724 /nfs/dbraw/zinc/24/07/24/507240724.db2.gz ZYNVZLBOQRDBRH-OAQYLSRUSA-N 2 0 354.498 3.366 20 0 FGADRP C[C@H](CNC(=O)NCc1ccccc1C[N@@H+]1CCCC[C@H]1C)[NH+](C)C1CC1 ZINC000591554162 507290247 /nfs/dbraw/zinc/29/02/47/507290247.db2.gz UWWONNPSCQXIIJ-QZTJIDSGSA-N 2 0 372.557 3.343 20 0 FGADRP CC(C)[C@@H](C(=O)Nc1cccc(NC(=O)C[NH+]2CCCCCC2)c1)[C@H](C)[NH3+] ZINC000584348111 507295760 /nfs/dbraw/zinc/29/57/60/507295760.db2.gz YSBCTYQSFMJNFW-OXJNMPFZSA-N 2 0 374.529 3.059 20 0 FGADRP C[C@H]([NH2+][C@H]1CC12CC[NH2+]CC2)c1ccc(I)cc1 ZINC000591579238 507300871 /nfs/dbraw/zinc/30/08/71/507300871.db2.gz CJWZZABILFDRGL-FZMZJTMJSA-N 2 0 356.251 3.084 20 0 FGADRP C[NH+]1CCC(CNC(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)CC1 ZINC000591580849 507301461 /nfs/dbraw/zinc/30/14/61/507301461.db2.gz HLTVXRIJWPWFGE-UHFFFAOYSA-N 2 0 372.557 3.204 20 0 FGADRP COC(=O)c1cnc([C@H](C)NC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)s1 ZINC000601289857 507324900 /nfs/dbraw/zinc/32/49/00/507324900.db2.gz VAGMHKXSRUCJSU-HLLBOEOZSA-N 2 0 373.522 3.348 20 0 FGADRP C[C@H](CNC(=O)N1CCC[N@@H+](C(C)(C)C)CC1)[NH+](C)Cc1ccccc1 ZINC000601338732 507339267 /nfs/dbraw/zinc/33/92/67/507339267.db2.gz BGOVUEJVZIVRTO-GOSISDBHSA-N 2 0 360.546 3.023 20 0 FGADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCC[C@H]([NH2+]C(C)C)C2)C1 ZINC000601341166 507339702 /nfs/dbraw/zinc/33/97/02/507339702.db2.gz KPJLVBGZPWIEHO-MSOLQXFVSA-N 2 0 352.567 3.059 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CC/C=C/c1ccccc1 ZINC000606360889 507374628 /nfs/dbraw/zinc/37/46/28/507374628.db2.gz YLSNMCIZYFPDNO-LNYGYFNRSA-N 2 0 357.542 3.355 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CC/C=C\c1ccccc1 ZINC000606360891 507375063 /nfs/dbraw/zinc/37/50/63/507375063.db2.gz YLSNMCIZYFPDNO-YDTSGJJXSA-N 2 0 357.542 3.355 20 0 FGADRP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]CC2CC[NH+](Cc3ccncc3)CC2)C[C@@H]1C ZINC000595069614 507378049 /nfs/dbraw/zinc/37/80/49/507378049.db2.gz ZWGPAXUPHWHVKV-IOMROCGXSA-N 2 0 373.541 3.251 20 0 FGADRP c1cc2n(n1)C[C@@H](C[NH2+]Cc1ccc(C[NH+]3CCCCCC3)cc1)CN2 ZINC000595151462 507412118 /nfs/dbraw/zinc/41/21/18/507412118.db2.gz NFAYKVGKNAVUHU-FQEVSTJZSA-N 2 0 353.514 3.091 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)C[C@H]([NH3+])Cc2ccccc2)C1 ZINC000584588333 507428118 /nfs/dbraw/zinc/42/81/18/507428118.db2.gz BDBKXMXQOYAMNG-HLAWJBBLSA-N 2 0 357.542 3.060 20 0 FGADRP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@@H](C)[C@H]2c2ccc(C)cc2)CC1 ZINC000606540852 507438796 /nfs/dbraw/zinc/43/87/96/507438796.db2.gz NYWBUAAXUDWXQZ-GCJKJVERSA-N 2 0 357.542 3.369 20 0 FGADRP Cc1nn(-c2ccc(Cl)cc2)cc1C[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000584782678 507502417 /nfs/dbraw/zinc/50/24/17/507502417.db2.gz TZJMCGBQXKREQP-UXHICEINSA-N 2 0 374.916 3.162 20 0 FGADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)C[C@H]1C ZINC000592402781 507642092 /nfs/dbraw/zinc/64/20/92/507642092.db2.gz JNLXCVYQPLAMFC-RQXATKFSSA-N 2 0 358.526 3.289 20 0 FGADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+]Cc1ccc(N(C)c2ccccc2)cc1 ZINC000592464477 507667084 /nfs/dbraw/zinc/66/70/84/507667084.db2.gz UPGQSOGYMBEBGJ-LJQANCHMSA-N 2 0 352.526 3.180 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1)CC(C)C ZINC000592483672 507675117 /nfs/dbraw/zinc/67/51/17/507675117.db2.gz HFJAFNRBCFCYGV-IEBWSBKVSA-N 2 0 352.567 3.059 20 0 FGADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCC(C[NH+](CC)CC)CC1 ZINC000595816036 507699123 /nfs/dbraw/zinc/69/91/23/507699123.db2.gz BMAKGSNNXWKGMM-HXUWFJFHSA-N 2 0 366.594 3.404 20 0 FGADRP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3ccccc3CC(F)(F)F)C2)CC1 ZINC000602465338 507717603 /nfs/dbraw/zinc/71/76/03/507717603.db2.gz PQQMGZAEKJMLLO-SFHVURJKSA-N 2 0 355.448 3.003 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N[C@@H]2CCC[NH2+]CC2)cc1 ZINC000669117753 568033258 /nfs/dbraw/zinc/03/32/58/568033258.db2.gz FHPGJABTWLDWIY-YLJYHZDGSA-N 2 0 358.530 3.002 20 0 FGADRP [NH3+]C1(CNC(=O)Nc2cc(F)cc(F)c2)CC[NH+](Cc2ccccc2)CC1 ZINC000623069254 568144156 /nfs/dbraw/zinc/14/41/56/568144156.db2.gz ZUMSZABOBOPMBL-UHFFFAOYSA-N 2 0 374.435 3.080 20 0 FGADRP CCCC[NH+]1CCC([NH2+][C@H]2CCCc3cc(-c4nn[nH]n4)ccc32)CC1 ZINC000825285237 608505357 /nfs/dbraw/zinc/50/53/57/608505357.db2.gz NNUULBDZNGKFDF-IBGZPJMESA-N 2 0 354.502 3.098 20 0 FGADRP C[NH+]1CCC(C[NH2+]CC2=Cc3cc(Br)ccc3OC2)CC1 ZINC000105458888 700501079 /nfs/dbraw/zinc/50/10/79/700501079.db2.gz YUZQQCYQKSJNBN-UHFFFAOYSA-N 2 0 351.288 3.156 20 0 FGADRP C[C@@H]1C[NH+](CCCC[NH2+]Cc2csc(-c3ccccn3)n2)C[C@@H](C)O1 ZINC000126819072 700753338 /nfs/dbraw/zinc/75/33/38/700753338.db2.gz WIEORALEXQGZKP-HZPDHXFCSA-N 2 0 360.527 3.184 20 0 FGADRP C[NH+](C)CCCC1CC[NH+](C[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000179702551 705711041 /nfs/dbraw/zinc/71/10/41/705711041.db2.gz XGYUOTPMDMRFSI-SFHVURJKSA-N 2 0 353.551 3.297 20 0 FGADRP C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000180825699 705759542 /nfs/dbraw/zinc/75/95/42/705759542.db2.gz LSMHSXQDDPTAKE-DOTOQJQBSA-N 2 0 353.551 3.484 20 0 FGADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@]2(C)CCN(C(=O)OC(C)(C)C)C2)[C@H](C)C1 ZINC000195174524 713548175 /nfs/dbraw/zinc/54/81/75/713548175.db2.gz NMTRZMZFERQSSN-UWVAXJGDSA-N 2 0 353.551 3.296 20 0 FGADRP CC[N@@H+]1CC[C@@H]([NH2+]CC2(C)CCN(C(=O)OC(C)(C)C)CC2)[C@@H](C)C1 ZINC000248488958 713651776 /nfs/dbraw/zinc/65/17/76/713651776.db2.gz MSBHZKVDFVSIBI-DLBZAZTESA-N 2 0 353.551 3.344 20 0 FGADRP C[C@H]1CCCC[N@@H+]1CCC[NH2+]C[C@@]1(C)CCN(C(=O)OC(C)(C)C)C1 ZINC000248674239 713656420 /nfs/dbraw/zinc/65/64/20/713656420.db2.gz WSNGCTCCBWLHNR-FXAWDEMLSA-N 2 0 353.551 3.488 20 0 FGADRP C[NH2+]CCC1CC[NH+]([C@@H](C)C(=O)Nc2ccccc2C(F)(F)F)CC1 ZINC000262002082 713717103 /nfs/dbraw/zinc/71/71/03/713717103.db2.gz QCQQDYFXGMLXMW-ZDUSSCGKSA-N 2 0 357.420 3.354 20 0 FGADRP CN(CCCC[NH+]1CCCCC1)C(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000641739489 717924970 /nfs/dbraw/zinc/92/49/70/717924970.db2.gz FLQWWFKIXNIRIL-KRWDZBQOSA-N 2 0 366.575 3.258 20 0 FGADRP CC(C)[N@@H+]1CC[C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)C1 ZINC000301193092 713781748 /nfs/dbraw/zinc/78/17/48/713781748.db2.gz SNXIUBKCEHKKCM-OOKSDGMUSA-N 2 0 351.535 3.237 20 0 FGADRP Cc1cc(Br)ccc1[C@H](C)[NH2+][C@@H](C)CN1CC[NH+](C)CC1 ZINC000641776270 717928753 /nfs/dbraw/zinc/92/87/53/717928753.db2.gz WMKPAEYFGOUPLX-GJZGRUSLSA-N 2 0 354.336 3.044 20 0 FGADRP Cc1cc(Br)ccc1[C@@H](C)[NH2+][C@H](C)CN1CC[NH+](C)CC1 ZINC000641776271 717928947 /nfs/dbraw/zinc/92/89/47/717928947.db2.gz WMKPAEYFGOUPLX-HUUCEWRRSA-N 2 0 354.336 3.044 20 0 FGADRP C[NH+]1CCC(Oc2ccc(Cl)cc2NC(=O)NCCC(C)(C)[NH3+])CC1 ZINC000641817721 717932213 /nfs/dbraw/zinc/93/22/13/717932213.db2.gz LHGLGSSLCWNTJZ-UHFFFAOYSA-N 2 0 368.909 3.062 20 0 FGADRP C[C@H]1CN(Cc2cccc(C(F)(F)F)c2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000374296350 713911476 /nfs/dbraw/zinc/91/14/76/713911476.db2.gz NBOPQCNJWYCRIX-MAUKXSAKSA-N 2 0 355.448 3.163 20 0 FGADRP CC(C)C[NH+]1CCC([NH2+][C@@H]2CC[C@@H](CNC(=O)OC(C)(C)C)C2)CC1 ZINC000382450541 713980061 /nfs/dbraw/zinc/98/00/61/713980061.db2.gz DWVDICYIZBGFGY-SJLPKXTDSA-N 2 0 353.551 3.390 20 0 FGADRP CC(C)[N@@H+]1CC[C@H](C[NH2+][C@H](C)C[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000384462083 713982160 /nfs/dbraw/zinc/98/21/60/713982160.db2.gz BAXBERLKXYAXQN-KURKYZTESA-N 2 0 353.551 3.484 20 0 FGADRP CC(C)[N@H+](C)Cc1ccccc1C[NH2+]Cc1cccc(S(C)(=O)=O)c1 ZINC000449219553 714041469 /nfs/dbraw/zinc/04/14/69/714041469.db2.gz NRJDBJFNTMFOIZ-UHFFFAOYSA-N 2 0 360.523 3.220 20 0 FGADRP CC1CC[NH+](CCCCNC(=O)N2CCC[N@@H+](C(C)(C)C)CC2)CC1 ZINC000521895085 714154746 /nfs/dbraw/zinc/15/47/46/714154746.db2.gz ALYVOLMWGOJLCK-UHFFFAOYSA-N 2 0 352.567 3.014 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1)c1ccsc1 ZINC000522080402 714169341 /nfs/dbraw/zinc/16/93/41/714169341.db2.gz CVEJKPCATUYZKV-MSOLQXFVSA-N 2 0 364.559 3.009 20 0 FGADRP O=C(CC[C@@H]1CCC[NH2+]C1)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000621641158 715013519 /nfs/dbraw/zinc/01/35/19/715013519.db2.gz BJYSTJPRVDPHAS-LPHOPBHVSA-N 2 0 363.933 3.373 20 0 FGADRP C[C@H](C[NH2+][C@@H]1CCCC[C@@H]1Sc1ccc(F)cc1)N1CC[NH+](C)CC1 ZINC000623888581 715424955 /nfs/dbraw/zinc/42/49/55/715424955.db2.gz MAIIPTGWRSIZKU-AHRSYUTCSA-N 2 0 365.562 3.455 20 0 FGADRP COC[C@@H](CCC[NH3+])[NH2+][C@@H](C)c1cc(F)c(Br)cc1F ZINC000629515238 716302945 /nfs/dbraw/zinc/30/29/45/716302945.db2.gz NHESNVSQKXLQGE-VHSXEESVSA-N 2 0 351.235 3.132 20 0 FGADRP C[NH2+]CCOCC[NH2+][C@@H]1CCCc2c3cc(Br)ccc3[nH]c21 ZINC000629530930 716303399 /nfs/dbraw/zinc/30/33/99/716303399.db2.gz VLVGSDBFHXVMSU-MRXNPFEDSA-N 2 0 366.303 3.133 20 0 FGADRP [NH3+]C[C@@H]1C[N@H+](CCC(=O)Nc2ccc(Cl)cc2)CC[C@@H]1C(F)(F)F ZINC000629565851 716309893 /nfs/dbraw/zinc/30/98/93/716309893.db2.gz XSGHWQNUEAIHAH-RISCZKNCSA-N 2 0 363.811 3.128 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(C[NH2+][C@H]2CCCS(=O)(=O)CC2)cc1 ZINC000634953184 717134955 /nfs/dbraw/zinc/13/49/55/717134955.db2.gz UINWAJFXKVKGKQ-XLIONFOSSA-N 2 0 364.555 3.118 20 0 FGADRP C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+][C@H]1CC[C@H](C[NH3+])CC1 ZINC000635004413 717138907 /nfs/dbraw/zinc/13/89/07/717138907.db2.gz DGAQQGQKOVEUSH-IIDMSEBBSA-N 2 0 351.922 3.184 20 0 FGADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@@H](CCO)c1ccc(Cl)c(F)c1 ZINC000635002880 717139266 /nfs/dbraw/zinc/13/92/66/717139266.db2.gz AUNMVUDOFGZTOZ-XIKOKIGWSA-N 2 0 351.853 3.416 20 0 FGADRP C[NH+](C)C[C@H](NC(=O)C[C@@H]1CC[N@H+](C)C1)c1ccc(Cl)c(Cl)c1 ZINC000636280628 717256363 /nfs/dbraw/zinc/25/63/63/717256363.db2.gz DYSVIAKEXSFTEA-LRDDRELGSA-N 2 0 358.313 3.054 20 0 FGADRP C[NH+](C)C[C@H](NC(=O)C[C@H]1CC[N@H+](C)C1)c1ccc(Cl)c(Cl)c1 ZINC000636280632 717256469 /nfs/dbraw/zinc/25/64/69/717256469.db2.gz DYSVIAKEXSFTEA-WBMJQRKESA-N 2 0 358.313 3.054 20 0 FGADRP Cc1cc(C[NH3+])oc1C(=O)NC[C@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000638050247 717405266 /nfs/dbraw/zinc/40/52/66/717405266.db2.gz MRTMUCMGKCXIQV-MRXNPFEDSA-N 2 0 361.511 3.311 20 0 FGADRP Cc1cc(C[NH3+])oc1C(=O)Nc1cccc(C[NH+]2CCSCC2)c1C ZINC000638088818 717407825 /nfs/dbraw/zinc/40/78/25/717407825.db2.gz KQNMUEDRXBTFOO-UHFFFAOYSA-N 2 0 359.495 3.156 20 0 FGADRP C[NH+](C)C[C@H](NC(=O)[C@H]1CCC[NH2+]CC1)c1ccc(Cl)c(Cl)c1 ZINC000638665055 717473814 /nfs/dbraw/zinc/47/38/14/717473814.db2.gz ZDCOJICGAVJROP-LRDDRELGSA-N 2 0 358.313 3.102 20 0 FGADRP CC[NH+]1CCC(CC[NH2+]Cc2c(C(F)(F)F)nc3n2CCCC3)CC1 ZINC000638693022 717477146 /nfs/dbraw/zinc/47/71/46/717477146.db2.gz OXPURKQERIMOFU-UHFFFAOYSA-N 2 0 358.452 3.450 20 0 FGADRP C[NH+]1CCC2(CC[N@H+](CC(=O)Nc3ccccc3C(F)(F)F)C2)CC1 ZINC000639759526 717599102 /nfs/dbraw/zinc/59/91/02/717599102.db2.gz ACWGPVDIJKCXSP-UHFFFAOYSA-N 2 0 355.404 3.062 20 0 FGADRP C[C@H](OC[C@H](O)C[NH2+][C@@H](C)C1CC[NH+](C)CC1)c1ccc(Cl)cc1 ZINC000644562901 718124422 /nfs/dbraw/zinc/12/44/22/718124422.db2.gz GSDUWFWJFIRUPP-YZVOILCLSA-N 2 0 354.922 3.098 20 0 FGADRP C[C@H]1CC2(C[NH+]1CCC[N@H+]1CC3(C[C@@H]1C)CCOCC3)CCOCC2 ZINC000646096780 718262874 /nfs/dbraw/zinc/26/28/74/718262874.db2.gz UNXQMCGSYTUHPR-OALUTQOASA-N 2 0 350.547 3.159 20 0 FGADRP COc1ncncc1C[NH2+]CC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000647181643 718338425 /nfs/dbraw/zinc/33/84/25/718338425.db2.gz LJWASWRSNWISBC-UHFFFAOYSA-N 2 0 360.889 3.140 20 0 FGADRP Brc1cccc(N2CC[C@H]([NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@H]4C3)C2)c1 ZINC000647795249 718378142 /nfs/dbraw/zinc/37/81/42/718378142.db2.gz MFKMCVDURLUCRS-SRABZTEZSA-N 2 0 364.331 3.006 20 0 FGADRP Clc1ccc(-c2noc(CC[N@@H+]3CCC[C@H]([C@@H]4CCC[NH2+]4)C3)n2)cc1 ZINC000647904234 718385533 /nfs/dbraw/zinc/38/55/33/718385533.db2.gz ZNLCQCCFVNAKDZ-RDJZCZTQSA-N 2 0 360.889 3.397 20 0 FGADRP C[N@@H+]1CC[C@H](CNC(=O)CCC(C)(C)[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000648161493 718402252 /nfs/dbraw/zinc/40/22/52/718402252.db2.gz CPAKHHZFZBHXEY-DYVFJYSZSA-N 2 0 355.885 3.106 20 0 FGADRP C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@H]3C[NH2+]CCC3(F)F)cc2)C1 ZINC000649288209 718501234 /nfs/dbraw/zinc/50/12/34/718501234.db2.gz CZHSPBRXZWOHIW-RHSMWYFYSA-N 2 0 351.441 3.102 20 0 FGADRP CC1CC[NH+](Cc2ccc(NC(=O)[C@@H]3C[NH2+]CCC3(F)F)cc2)CC1 ZINC000649288325 718501245 /nfs/dbraw/zinc/50/12/45/718501245.db2.gz KHNOQHYFOZCCSG-KRWDZBQOSA-N 2 0 351.441 3.102 20 0 FGADRP Cc1ccc([C@H](CNC(=O)[C@@H]([NH3+])c2cccc(Cl)c2)[NH+]2CCCC2)o1 ZINC000649317632 718503882 /nfs/dbraw/zinc/50/38/82/718503882.db2.gz HJWZRWQHXMDEED-WMZOPIPTSA-N 2 0 361.873 3.195 20 0 FGADRP C[N@@H+]1CCC[C@H](NC(=O)Nc2ccc(SCC[NH+]3CCCC3)cc2)C1 ZINC000650417878 718675577 /nfs/dbraw/zinc/67/55/77/718675577.db2.gz GBRIBWUUWJEVHF-KRWDZBQOSA-N 2 0 362.543 3.090 20 0 FGADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@H+](Cc3cccc(Br)c3)C2)C1 ZINC000650705609 718716825 /nfs/dbraw/zinc/71/68/25/718716825.db2.gz NSDQFDOPHYXUJQ-OIISXLGYSA-N 2 0 353.304 3.167 20 0 FGADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@H+](Cc3csc(Br)c3)C2)C1 ZINC000650706204 718717170 /nfs/dbraw/zinc/71/71/70/718717170.db2.gz GIQFWVDDIIZFOO-MJBXVCDLSA-N 2 0 359.333 3.229 20 0 FGADRP Cc1cc(Br)ccc1C[N@@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000650707343 718717241 /nfs/dbraw/zinc/71/72/41/718717241.db2.gz DATKHWKSXLSXLB-JQHSSLGASA-N 2 0 367.331 3.476 20 0 FGADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@@H+]2Cc2ccccc2Br)C1 ZINC000650722432 718720080 /nfs/dbraw/zinc/72/00/80/718720080.db2.gz SQASEWZQIYVYGL-HYVNUMGLSA-N 2 0 353.304 3.310 20 0 FGADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@@H+]2Cc2ccccc2Br)C1 ZINC000650722431 718720182 /nfs/dbraw/zinc/72/01/82/718720182.db2.gz SQASEWZQIYVYGL-DJIMGWMZSA-N 2 0 353.304 3.310 20 0 FGADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2Cc2cnc(-c3ccccn3)s2)C1 ZINC000650723166 718720548 /nfs/dbraw/zinc/72/05/48/718720548.db2.gz IETRBIBSCDKGNS-OLMNPRSZSA-N 2 0 358.511 3.066 20 0 FGADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2Cc2cc(O)ccc2Br)C1 ZINC000650722945 718720722 /nfs/dbraw/zinc/72/07/22/718720722.db2.gz DZOXIBYHZFNIKC-XYPHTWIQSA-N 2 0 369.303 3.016 20 0 FGADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@@H+]2Cc2ccc(OCC(F)F)cc2)C1 ZINC000650723790 718721226 /nfs/dbraw/zinc/72/12/26/718721226.db2.gz UDLFVGMWTCTLRW-BPQIPLTHSA-N 2 0 354.441 3.191 20 0 FGADRP Cn1cc(-c2ccc(C[N@@H+]3CCCC[C@@H]3[C@@H]3C[C@@H]([NH3+])CCO3)s2)cn1 ZINC000650725335 718721779 /nfs/dbraw/zinc/72/17/79/718721779.db2.gz YPLXBKBLMPJAPE-JQHSSLGASA-N 2 0 360.527 3.009 20 0 FGADRP [NH3+]CC1(CC[NH2+][C@@H](c2ccc(Br)cc2)[C@H]2CCCO2)CC1 ZINC000650747110 718723601 /nfs/dbraw/zinc/72/36/01/718723601.db2.gz RYCYYFBFFXELCM-CVEARBPZSA-N 2 0 353.304 3.388 20 0 FGADRP C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]CCC1CC[NH2+]CC1 ZINC000650763860 718725313 /nfs/dbraw/zinc/72/53/13/718725313.db2.gz KTPBEQOWHLOJQT-OAHLLOKOSA-N 2 0 351.922 3.056 20 0 FGADRP C[C@@H]1CCC[N@H+](CCC(=O)Nc2cccc(Br)c2)[C@@H]1CC[NH3+] ZINC000652354561 718936453 /nfs/dbraw/zinc/93/64/53/718936453.db2.gz BWFBYYMCPKPJGG-CZUORRHYSA-N 2 0 368.319 3.227 20 0 FGADRP CC1CC[NH+]([C@H](CNC(=O)[C@@H]2CC[C@@H](C3CC3)[NH2+]2)c2cccs2)CC1 ZINC000653106294 719013055 /nfs/dbraw/zinc/01/30/55/719013055.db2.gz ZSOINPWIJARCAD-OKZBNKHCSA-N 2 0 361.555 3.168 20 0 FGADRP C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655806700 719342452 /nfs/dbraw/zinc/34/24/52/719342452.db2.gz ZOJQSVKAPHUPTR-HEHGZKQESA-N 2 0 368.319 3.096 20 0 FGADRP Clc1ccccc1C[NH+]1CCC(C[NH2+]Cc2cc3n(n2)CCC3)CC1 ZINC000657352814 719631415 /nfs/dbraw/zinc/63/14/15/719631415.db2.gz DAPMVUXIIRCFRM-UHFFFAOYSA-N 2 0 358.917 3.485 20 0 FGADRP Clc1ccc(N2CC[C@H]([NH2+]Cc3ccnn3-c3cc[nH+]cc3)C2)cc1 ZINC000657429692 719648549 /nfs/dbraw/zinc/64/85/49/719648549.db2.gz UFTQQUQKLASQFM-INIZCTEOSA-N 2 0 353.857 3.289 20 0 FGADRP C[C@H]1CCC[C@@H](C[NH2+]Cc2c(Cl)cccc2N2CC[NH+](C)CC2)O1 ZINC000657668307 719691600 /nfs/dbraw/zinc/69/16/00/719691600.db2.gz UAVNPYRJGNSRLU-HOTGVXAUSA-N 2 0 351.922 3.139 20 0 FGADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1ccc(Br)c(Cl)c1 ZINC000657880942 719724965 /nfs/dbraw/zinc/72/49/65/719724965.db2.gz OEUIEZWEEDFICK-STQMWFEESA-N 2 0 374.754 3.389 20 0 FGADRP C[C@H](Cc1ccc(Cl)c(C(F)(F)F)c1)[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000657889684 719725994 /nfs/dbraw/zinc/72/59/94/719725994.db2.gz SXTLAAMTLFMGGW-GFCCVEGCSA-N 2 0 364.839 3.336 20 0 FGADRP C[C@H]([NH2+]CC1CC[NH+](CC2CC2)CC1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000658354923 719788642 /nfs/dbraw/zinc/78/86/42/719788642.db2.gz GIGIFDADLIJAHR-AWEZNQCLSA-N 2 0 368.518 3.002 20 0 FGADRP CC[N@H+](CCC1CC[NH+](CCN2C[C@@H](C)O[C@H](C)C2)CC1)CC(C)C ZINC000660170104 720001239 /nfs/dbraw/zinc/00/12/39/720001239.db2.gz DMCLTGJBPVSEOY-WOJBJXKFSA-N 2 0 353.595 3.176 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C)c1ccsc1 ZINC000660338952 720032955 /nfs/dbraw/zinc/03/29/55/720032955.db2.gz NSTJUPUPRLRRHR-SJORKVTESA-N 2 0 366.575 3.303 20 0 FGADRP CC(C)[NH+]1CCC(NC(=O)C[N@H+](Cc2ccsc2)C(C)(C)C)CC1 ZINC000661135058 720194960 /nfs/dbraw/zinc/19/49/60/720194960.db2.gz AAMRWCKXOOVSEP-UHFFFAOYSA-N 2 0 351.560 3.338 20 0 FGADRP C[C@]1(C2CC2)C[NH+](CCCCC[N@@H+]2CCO[C@@](C)(C3CC3)C2)CCO1 ZINC000661166443 720200974 /nfs/dbraw/zinc/20/09/74/720200974.db2.gz AUJLBGFDGYXUMQ-NHCUHLMSSA-N 2 0 350.547 3.159 20 0 FGADRP C[NH+](C)[C@@H](CNC(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1)c1ccc(Cl)cc1 ZINC000661505142 720266806 /nfs/dbraw/zinc/26/68/06/720266806.db2.gz KFXWSLJLWXMHQK-IRXDYDNUSA-N 2 0 366.937 3.115 20 0 FGADRP C[NH+](C)[C@H](CNC(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1)c1ccc(Cl)cc1 ZINC000661505139 720267024 /nfs/dbraw/zinc/26/70/24/720267024.db2.gz KFXWSLJLWXMHQK-DLBZAZTESA-N 2 0 366.937 3.115 20 0 FGADRP CC[NH+](CC)CCC[N@@H+](Cc1ccc(Cl)cc1)C[C@@H]1CNC(=O)C1 ZINC000661576215 720278713 /nfs/dbraw/zinc/27/87/13/720278713.db2.gz QOMJAERAANMPHZ-KRWDZBQOSA-N 2 0 351.922 3.010 20 0 FGADRP Brc1ccc([C@@H]2CCC[N@@H+]2C[C@@H]2CCC3(C[NH2+]C3)O2)cc1 ZINC000662252791 720405517 /nfs/dbraw/zinc/40/55/17/720405517.db2.gz OXAOOBKRKAATGA-HOTGVXAUSA-N 2 0 351.288 3.107 20 0 FGADRP Brc1ccccc1[C@H]1CCC[N@@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662258519 720405876 /nfs/dbraw/zinc/40/58/76/720405876.db2.gz JFULEXXAETWTPD-XJKSGUPXSA-N 2 0 351.288 3.107 20 0 FGADRP Brc1cccc(C2CC[NH+](C[C@H]3CCC4(C[NH2+]C4)O3)CC2)c1 ZINC000662279016 720408999 /nfs/dbraw/zinc/40/89/99/720408999.db2.gz FAVMCXANLJIOQX-QGZVFWFLSA-N 2 0 365.315 3.150 20 0 FGADRP C[C@H](NC(=O)C[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1)c1ccccc1Cl ZINC000662290339 720410397 /nfs/dbraw/zinc/41/03/97/720410397.db2.gz CMDLXNNWXVAWKF-DOTOQJQBSA-N 2 0 363.933 3.229 20 0 FGADRP O=C(CC[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1)NCc1ccccc1Cl ZINC000662291111 720410460 /nfs/dbraw/zinc/41/04/60/720410460.db2.gz PJJKJELPDFTGAS-QGZVFWFLSA-N 2 0 363.933 3.058 20 0 FGADRP O=C(CC[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1)Nc1cc(F)cc(F)c1 ZINC000662293492 720411082 /nfs/dbraw/zinc/41/10/82/720411082.db2.gz LQBPWHNURBUCBA-OAHLLOKOSA-N 2 0 351.441 3.005 20 0 FGADRP c1csc(-c2noc(CCC[N@@H+]3CCC[C@H](C4CC[NH2+]CC4)C3)n2)c1 ZINC000662295849 720411376 /nfs/dbraw/zinc/41/13/76/720411376.db2.gz IAPWZMFXTZAIMO-INIZCTEOSA-N 2 0 360.527 3.442 20 0 FGADRP C[C@@H](NC(=O)C[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1)c1ccccc1Cl ZINC000662297890 720412020 /nfs/dbraw/zinc/41/20/20/720412020.db2.gz SSOYQDALPAZTEF-NVXWUHKLSA-N 2 0 363.933 3.229 20 0 FGADRP CSc1ccccc1NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662299069 720412120 /nfs/dbraw/zinc/41/21/20/720412120.db2.gz ZKKSTISWXRLTQL-DOTOQJQBSA-N 2 0 361.555 3.447 20 0 FGADRP [NH3+]C1(C(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)CC2(CCC2)C1 ZINC000662668091 720451535 /nfs/dbraw/zinc/45/15/35/720451535.db2.gz AOYWWSGDNIKYQO-UHFFFAOYSA-N 2 0 361.917 3.082 20 0 FGADRP CCOc1cc[nH+]c(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)c1 ZINC001164838054 720539942 /nfs/dbraw/zinc/53/99/42/720539942.db2.gz NTCSGWNWXPVVFI-CMKODMSKSA-N 2 0 369.513 3.055 20 0 FGADRP CCN(C(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)C)[C@@H]1CC[N@H+](CC)C1 ZINC000664292625 720619237 /nfs/dbraw/zinc/61/92/37/720619237.db2.gz OVAHKJNLKJZWGZ-QZTJIDSGSA-N 2 0 366.937 3.068 20 0 FGADRP CCCOc1ccc(Br)cc1C[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000666950728 721004918 /nfs/dbraw/zinc/00/49/18/721004918.db2.gz CTLYPMWBXPXHMU-MRXNPFEDSA-N 2 0 353.304 3.470 20 0 FGADRP C[C@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000666954214 721005238 /nfs/dbraw/zinc/00/52/38/721005238.db2.gz SDEOCJKOZXMHIH-DOMZBBRYSA-N 2 0 355.404 3.154 20 0 FGADRP C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+][C@H]1CC[NH2+]C2(CCC2)C1 ZINC000666995503 721010813 /nfs/dbraw/zinc/01/08/13/721010813.db2.gz PIHRXCLRPWKALL-WBVHZDCISA-N 2 0 363.933 3.341 20 0 FGADRP C[N@@H+]1CCC[C@H](CNC(=O)Nc2cccc(C[NH3+])c2)[C@H]1c1cccs1 ZINC000667727798 721164809 /nfs/dbraw/zinc/16/48/09/721164809.db2.gz JVKJDMVICURSEZ-QAPCUYQASA-N 2 0 358.511 3.411 20 0 FGADRP Fc1cccc(O[C@@H]2C[C@H]3CN(c4[nH+]ccc5[nH]ccc54)CC[N@@H+]3C2)c1 ZINC001164899044 721513201 /nfs/dbraw/zinc/51/32/01/721513201.db2.gz JSMWLMWNXJMAQT-DOTOQJQBSA-N 2 0 352.413 3.044 20 0 FGADRP C[NH+](C)C[C@H](NC(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1)c1ccc(Cl)cc1 ZINC000670133761 721519059 /nfs/dbraw/zinc/51/90/59/721519059.db2.gz IURRZIGPFKMMQL-KURKYZTESA-N 2 0 366.937 3.115 20 0 FGADRP C[N@H+](C[C@@H](O)COc1ccc(Cl)c(Cl)c1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000671724757 721611460 /nfs/dbraw/zinc/61/14/60/721611460.db2.gz NXPZTPYCMUNQFK-IZGVIRRGSA-N 2 0 373.324 3.290 20 0 FGADRP CC[C@H](C[NH+]1CCCC1)NC(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000675175626 721735515 /nfs/dbraw/zinc/73/55/15/721735515.db2.gz HCSMUKLGBHXCAC-SJORKVTESA-N 2 0 364.559 3.059 20 0 FGADRP CC[C@H](C[NH+]1CCCC1)NC(=O)NC[C@H](c1ccsc1)[NH+](CC)CC ZINC000675178227 721735853 /nfs/dbraw/zinc/73/58/53/721735853.db2.gz VAKSPHHTOWTYQD-QZTJIDSGSA-N 2 0 366.575 3.305 20 0 FGADRP Cc1c[nH+]c(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)cc1N ZINC001165022132 721822085 /nfs/dbraw/zinc/82/20/85/721822085.db2.gz GKOUHFOQEHMVJC-ILZDJORESA-N 2 0 351.498 3.104 20 0 FGADRP FC(F)Oc1ccccc1N1CC[C@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000677242019 721876285 /nfs/dbraw/zinc/87/62/85/721876285.db2.gz WFGBJSPQODZEJD-JYJNAYRXSA-N 2 0 351.441 3.083 20 0 FGADRP C[NH+]1CCC(Oc2ccnc(N3CCCC[C@@H]3CC[NH+]3CCCC3)c2)CC1 ZINC001165049189 721978046 /nfs/dbraw/zinc/97/80/46/721978046.db2.gz IDEDYKGZDMWRNE-LJQANCHMSA-N 2 0 372.557 3.399 20 0 FGADRP COCC[N@H+](C)CCCC1CC[NH+](Cc2nc3c(s2)CCC3)CC1 ZINC000678837086 721984015 /nfs/dbraw/zinc/98/40/15/721984015.db2.gz OKSATRJQCULHSD-UHFFFAOYSA-N 2 0 351.560 3.202 20 0 FGADRP C[C@H]([NH2+][C@H](CCO)c1ccccc1Br)C1CC[NH+](C)CC1 ZINC000679773023 722047637 /nfs/dbraw/zinc/04/76/37/722047637.db2.gz QFBDQVJAHHKPPS-SUMWQHHRSA-N 2 0 355.320 3.193 20 0 FGADRP C[NH+](C)CCOc1ccc(C[NH2+]CCc2ccc(F)c(F)c2F)cc1 ZINC000680138399 722086995 /nfs/dbraw/zinc/08/69/95/722086995.db2.gz GEDGPOZMXOQSRQ-UHFFFAOYSA-N 2 0 352.400 3.377 20 0 FGADRP CC(C)c1cc(NCC(C)(C)[NH+](C)C)nc(NCC(C)(C)[NH+](C)C)n1 ZINC000682841895 722267379 /nfs/dbraw/zinc/26/73/79/722267379.db2.gz SWBXCOSEIXCFKR-UHFFFAOYSA-N 2 0 350.555 3.104 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+][C@H]1CCO[C@@H](C(F)(F)F)C1 ZINC000708529232 722412771 /nfs/dbraw/zinc/41/27/71/722412771.db2.gz JPFFHGDJQJFVLQ-LAVFITLUSA-N 2 0 356.432 3.454 20 0 FGADRP C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)CCCC[NH+]1CCCC1 ZINC000729348283 722459014 /nfs/dbraw/zinc/45/90/14/722459014.db2.gz WHPCRFPWCXOMPW-UHFFFAOYSA-N 2 0 365.949 3.496 20 0 FGADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)/C=C\c1ccc(Cl)s1 ZINC000747225809 722637350 /nfs/dbraw/zinc/63/73/50/722637350.db2.gz AAMZEYUXUPIWSX-NTMALXAHSA-N 2 0 357.951 3.147 20 0 FGADRP C[C@@H]1C[C@H](N(C)C(=O)NCCCCCCC[NH+]2CCCC2)CC[N@@H+]1C ZINC000747957646 722669473 /nfs/dbraw/zinc/66/94/73/722669473.db2.gz VGWPHJBLHZCTKO-RTBURBONSA-N 2 0 352.567 3.157 20 0 FGADRP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)NCCCCCCC[NH+]2CCCC2)C1 ZINC000749578493 722733497 /nfs/dbraw/zinc/73/34/97/722733497.db2.gz CKQJZQPLLJPZMD-RTBURBONSA-N 2 0 352.567 3.205 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=S)Nc1ccc(C)c(F)c1 ZINC000751012734 722790686 /nfs/dbraw/zinc/79/06/86/722790686.db2.gz YFFAETKRBNECGS-KRWDZBQOSA-N 2 0 366.550 3.179 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)C[C@@H](O)c2cccs2)[C@@H](C)C1 ZINC000763412003 723341405 /nfs/dbraw/zinc/34/14/05/723341405.db2.gz CMZMTCQOMDMVAM-XWTMOSNGSA-N 2 0 354.560 3.287 20 0 FGADRP CCO[C@@H](CC[NH+](C)C)C[NH2+]Cc1c(Cl)nc2cc(Cl)ccn21 ZINC000796318033 723632710 /nfs/dbraw/zinc/63/27/10/723632710.db2.gz VPNNSCHZPLGKDH-ZDUSSCGKSA-N 2 0 359.301 3.088 20 0 FGADRP COc1c(C)cc([C@H](C)[NH2+]C[C@H](C)CN2CC[NH+](C)CC2)cc1Cl ZINC000796750187 723653376 /nfs/dbraw/zinc/65/33/76/723653376.db2.gz SQHTVNYCQAXVCV-HOCLYGCPSA-N 2 0 353.938 3.191 20 0 FGADRP Cc1cc(Br)cc(CN2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)c1 ZINC000774911450 723941909 /nfs/dbraw/zinc/94/19/09/723941909.db2.gz GPMSPPRGMYMWLA-KZNAEPCWSA-N 2 0 367.331 3.441 20 0 FGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]Cc2cc(C)cc(Br)c2)CC1 ZINC000774992641 723949095 /nfs/dbraw/zinc/94/90/95/723949095.db2.gz SCLIWEJGERUJRR-INIZCTEOSA-N 2 0 368.363 3.121 20 0 FGADRP Cc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)ccc1I ZINC000798933979 723976991 /nfs/dbraw/zinc/97/69/91/723976991.db2.gz ACULADDKWJGESS-GOOCMWNKSA-N 2 0 370.278 3.314 20 0 FGADRP CC(C)[N@H+](C)Cc1ccccc1C[NH2+]Cc1cc(Br)nn1C ZINC000785418429 724911438 /nfs/dbraw/zinc/91/14/38/724911438.db2.gz VVTFGIYMQIDDPY-UHFFFAOYSA-N 2 0 365.319 3.313 20 0 FGADRP O[C@@H]1CC[N@H+](Cc2ccccc2C[NH2+][C@@H]2CCc3nc(Cl)ccc32)C1 ZINC000806157437 725118699 /nfs/dbraw/zinc/11/86/99/725118699.db2.gz FVOGJLGYFPLEBK-SJLPKXTDSA-N 2 0 357.885 3.079 20 0 FGADRP CC[NH+]1CCC([NH2+]C[C@H]2CC[C@H](CNC(=O)OC(C)(C)C)CC2)CC1 ZINC000808724935 725214719 /nfs/dbraw/zinc/21/47/19/725214719.db2.gz KADAEPWUMYCUMH-QAQDUYKDSA-N 2 0 353.551 3.391 20 0 FGADRP CCC[NH+]1CCC(C[NH2+]Cc2nc3ccccn3c2Br)CC1 ZINC000809615735 725252543 /nfs/dbraw/zinc/25/25/43/725252543.db2.gz CUEUJKXBFYUKMF-UHFFFAOYSA-N 2 0 365.319 3.308 20 0 FGADRP C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2CCN(C(=O)OC(C)(C)C)C(C)(C)C)C1 ZINC000809766933 725266560 /nfs/dbraw/zinc/26/65/60/725266560.db2.gz CIEIWYLYHJMCOH-IAGOWNOFSA-N 2 0 353.551 3.438 20 0 FGADRP CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)NC2CC[NH+](C3CCCCC3)CC2)C1 ZINC000810468190 725309471 /nfs/dbraw/zinc/30/94/71/725309471.db2.gz DKLPCLHTWJFYEZ-HXUWFJFHSA-N 2 0 353.526 3.112 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1ccnc(Cl)c1Cl ZINC000811507134 725370587 /nfs/dbraw/zinc/37/05/87/725370587.db2.gz RVQREPNKKCVYIG-HNNXBMFYSA-N 2 0 359.345 3.236 20 0 FGADRP C[NH+]1CCC(C)(C[NH2+]Cc2c(F)ccc(C3OCCO3)c2Cl)CC1 ZINC000812841995 726817944 /nfs/dbraw/zinc/81/79/44/726817944.db2.gz NPRDGWPJYJTXGL-UHFFFAOYSA-N 2 0 356.869 3.346 20 0 FGADRP C[C@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1[NH2+]C1CCC([NH+](C)C)CC1 ZINC000817414053 727248983 /nfs/dbraw/zinc/24/89/83/727248983.db2.gz QTHHKHLWZKAEHC-BFWZDYSYSA-N 2 0 353.551 3.484 20 0 FGADRP O[C@H](C[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ccc(Cl)cc1 ZINC000817898633 727287240 /nfs/dbraw/zinc/28/72/40/727287240.db2.gz IJZIKWCTOXIXHD-QWFCFKBJSA-N 2 0 358.869 3.219 20 0 FGADRP O[C@@H](C[NH2+]CC1CCN(c2cc[nH+]cc2)CC1)c1ccc(Cl)c(F)c1 ZINC000819206500 727358290 /nfs/dbraw/zinc/35/82/90/727358290.db2.gz VUEZGTPFWJRWBS-IBGZPJMESA-N 2 0 363.864 3.414 20 0 FGADRP C[C@H]1C[C@H](C[N@H+](C)CC2CC[NH+](C)CC2)CCN1C(=O)OC(C)(C)C ZINC000823436855 729280632 /nfs/dbraw/zinc/28/06/32/729280632.db2.gz DNAJRMGMOLGQFK-FUHWJXTLSA-N 2 0 353.551 3.296 20 0 FGADRP CC(C)(C)OC(=O)N1C[C@@H]2C[C@]2(C[NH2+]C2CC[NH+](C(C)(C)C)CC2)C1 ZINC000823677169 729297913 /nfs/dbraw/zinc/29/79/13/729297913.db2.gz RAYQFVDCAFMQOH-YWZLYKJASA-N 2 0 351.535 3.096 20 0 FGADRP CC(C)[C@H](CNC(=O)OC(C)(C)C)C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000824439677 729338506 /nfs/dbraw/zinc/33/85/06/729338506.db2.gz PRPVXSFMTGZPIJ-XLIONFOSSA-N 2 0 353.551 3.201 20 0 FGADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@H](C)[C@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000834566634 729815088 /nfs/dbraw/zinc/81/50/88/729815088.db2.gz PTLVZAFTUVTONT-FGTMMUONSA-N 2 0 353.551 3.484 20 0 FGADRP CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H]([NH2+]C3CCC(C[NH3+])CC3)C[C@H]2C1 ZINC000841102583 730211463 /nfs/dbraw/zinc/21/14/63/730211463.db2.gz FMNRZRJPRSJOJP-LZJIOBQVSA-N 2 0 351.535 3.129 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)N(C)C1CCC([NH3+])CC1)c1ccsc1 ZINC000841692091 730264904 /nfs/dbraw/zinc/26/49/04/730264904.db2.gz DHPKAYMHXHGYRJ-JCYILVPMSA-N 2 0 352.548 3.042 20 0 FGADRP [NH3+]C1C[C@H]2CCC[C@@H](C1)N2CCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000843360433 730610523 /nfs/dbraw/zinc/61/05/23/730610523.db2.gz WICQDGZSMJVVIU-VHRNVKJDSA-N 2 0 355.404 3.378 20 0 FGADRP Cc1cc([C@H]([NH3+])CC(=O)N(CC(C)C)C2CC[NH+](C)CC2)cc(Cl)n1 ZINC000843488005 730624209 /nfs/dbraw/zinc/62/42/09/730624209.db2.gz YVCJZXPQQYKYDE-QGZVFWFLSA-N 2 0 366.937 3.012 20 0 FGADRP CCOC(=O)C(F)(F)[C@H]1CCC[C@@H]([NH2+]Cc2ccc(C[NH3+])cc2F)C1 ZINC000844904630 730787283 /nfs/dbraw/zinc/78/72/83/730787283.db2.gz AHSDZYXVDLZNKF-LSDHHAIUSA-N 2 0 358.404 3.131 20 0 FGADRP CC(C)C[N@H+](C)CCCNC(=O)NC1CCC([NH+]2CCCCC2)CC1 ZINC000845028287 730803862 /nfs/dbraw/zinc/80/38/62/730803862.db2.gz VEVMOCZYLDNARC-UHFFFAOYSA-N 2 0 352.567 3.061 20 0 FGADRP C[NH+](C)CC1(C[NH2+]C2CC(CCNC(=O)OC(C)(C)C)C2)CCCC1 ZINC000845954581 730912293 /nfs/dbraw/zinc/91/22/93/730912293.db2.gz PSZPVKQHKDNSOE-UHFFFAOYSA-N 2 0 353.551 3.391 20 0 FGADRP C[C@H](NC(=[NH2+])NCCNc1cc[nH+]cc1)c1ccc(Cl)cc1Cl ZINC000849064742 731225356 /nfs/dbraw/zinc/22/53/56/731225356.db2.gz DGHDNOLAECDTHS-NSHDSACASA-N 2 0 352.269 3.097 20 0 FGADRP C[C@H](CNC(=[NH2+])NCc1cccc(C(F)(F)F)c1)[N@@H+]1CCC[C@@H](C)C1 ZINC000849091048 731228094 /nfs/dbraw/zinc/22/80/94/731228094.db2.gz DTIFGYUBYMSLCT-ZIAGYGMSSA-N 2 0 356.436 3.440 20 0 FGADRP C[N@@H+]1CCC[C@H](CNC(=[NH2+])N2CCC2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000849111727 731230436 /nfs/dbraw/zinc/23/04/36/731230436.db2.gz BZIXVLFPMLFUDK-ZBFHGGJFSA-N 2 0 354.420 3.318 20 0 FGADRP Cc1nn(C)c2nc(Cl)c(C[NH2+]CC3CC[NH+](CC4CC4)CC3)cc12 ZINC000850419986 731355079 /nfs/dbraw/zinc/35/50/79/731355079.db2.gz JOSQDBVYASCFKH-UHFFFAOYSA-N 2 0 361.921 3.142 20 0 FGADRP CCOC(=O)NC1CCC([NH2+]CC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000850427172 731355944 /nfs/dbraw/zinc/35/59/44/731355944.db2.gz OLNJSTIHZRYDBC-OQSMONGASA-N 2 0 353.551 3.390 20 0 FGADRP C[NH+](C)CCCCCCCNC(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000853487583 731711957 /nfs/dbraw/zinc/71/19/57/731711957.db2.gz RJCCKXYLYKKLRW-SFHVURJKSA-N 2 0 352.567 3.205 20 0 FGADRP C[NH+]1CCC(C[NH2+][C@@H]2CCc3ccc(Cl)nc32)(N2CCCCC2)CC1 ZINC000857907472 732168258 /nfs/dbraw/zinc/16/82/58/732168258.db2.gz PSMPKFOZOIWHFB-QGZVFWFLSA-N 2 0 362.949 3.262 20 0 FGADRP CCC[NH+]1CCC([NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)C23CCC3)CC1 ZINC000858475045 732218663 /nfs/dbraw/zinc/21/86/63/732218663.db2.gz GJMDHCDEKVDTBE-QGZVFWFLSA-N 2 0 351.535 3.383 20 0 FGADRP C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1[NH2+]C[C@@H]1CCCC[N@H+](C)C1 ZINC000858490780 732220302 /nfs/dbraw/zinc/22/03/02/732220302.db2.gz OHNQKNNUDKJFGT-SQNIBIBYSA-N 2 0 353.551 3.344 20 0 FGADRP [NH3+]CCCOCC[NH2+]Cc1sc(Sc2ccccc2)nc1Cl ZINC000863649876 732990044 /nfs/dbraw/zinc/99/00/44/732990044.db2.gz JRYBYDBYDXDLOM-UHFFFAOYSA-N 2 0 357.932 3.403 20 0 FGADRP CC(C)c1nn(-c2ccccc2)c(Cl)c1C[NH2+]CCOCCC[NH3+] ZINC000863650660 732990440 /nfs/dbraw/zinc/99/04/40/732990440.db2.gz XSUJTCCVWNTMSI-UHFFFAOYSA-N 2 0 350.894 3.104 20 0 FGADRP CC(C)[N@@H+]1CC[C@@H](C[NH2+]C[C@@H](CC(F)(F)F)NC(=O)OC(C)(C)C)C1 ZINC000865436135 733201238 /nfs/dbraw/zinc/20/12/38/733201238.db2.gz UWKPLGWFYVZQEK-UONOGXRCSA-N 2 0 367.456 3.152 20 0 FGADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@H](C)c1cc2c(ccnc2Cl)o1 ZINC000866340703 733337814 /nfs/dbraw/zinc/33/78/14/733337814.db2.gz IFMJRFBGVGAGDX-ZIAGYGMSSA-N 2 0 350.894 3.158 20 0 FGADRP CC[N@@H+]1CC[C@@H]([NH2+][C@H]2CC[C@H](CNC(=O)OC(C)(C)C)CC2)[C@@H](C)C1 ZINC000866453149 733351223 /nfs/dbraw/zinc/35/12/23/733351223.db2.gz IKQXBWJNLOSETD-XLAORIBOSA-N 2 0 353.551 3.390 20 0 FGADRP CCC[C@@H](CC1CCCC1)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870021947 733801924 /nfs/dbraw/zinc/80/19/24/733801924.db2.gz WJAZUDPXTUZDDZ-XUVXKRRUSA-N 2 0 351.579 3.181 20 0 FGADRP CCC[C@H](CC1CCCC1)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870021946 733802121 /nfs/dbraw/zinc/80/21/21/733802121.db2.gz WJAZUDPXTUZDDZ-VAMGGRTRSA-N 2 0 351.579 3.181 20 0 FGADRP C[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCC[C@@H]([NH3+])C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000870910820 733901613 /nfs/dbraw/zinc/90/16/13/733901613.db2.gz NKLUAOLZXBFGHX-BASYENTBSA-N 2 0 367.896 3.106 20 0 FGADRP C[NH+](C)CCCC[NH2+][C@H](c1cccc(Br)c1)[C@H]1CCOC1 ZINC000872028571 735578393 /nfs/dbraw/zinc/57/83/93/735578393.db2.gz KQGNCMBZJLEZQO-DOTOQJQBSA-N 2 0 355.320 3.458 20 0 FGADRP c1c(C[NH+]2CCC3(CC2)OCCc2ccccc23)sc2c1C[NH2+]CC2 ZINC000873212256 735738506 /nfs/dbraw/zinc/73/85/06/735738506.db2.gz XXBXOZCSSHZSRF-UHFFFAOYSA-N 2 0 354.519 3.458 20 0 FGADRP C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@@H](C)C1CC[NH2+]CC1 ZINC000873220827 735739552 /nfs/dbraw/zinc/73/95/52/735739552.db2.gz UTPIPTJQYSRKRZ-OLZOCXBDSA-N 2 0 368.319 3.144 20 0 FGADRP C[C@H]([NH2+]Cc1nc(-c2cccc(Br)c2)c[nH]1)C1CC[NH2+]CC1 ZINC000873222406 735739695 /nfs/dbraw/zinc/73/96/95/735739695.db2.gz QUNPOCQGINQAAY-LBPRGKRZSA-N 2 0 363.303 3.317 20 0 FGADRP C[C@@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000873253670 735743908 /nfs/dbraw/zinc/74/39/08/735743908.db2.gz BUGGPDMNDDAVMB-GARJFASQSA-N 2 0 363.811 3.403 20 0 FGADRP Cc1ccc(S(=O)(=O)[C@H]2CCCC[C@@H]2[NH2+][C@@H](C)C2CC[NH2+]CC2)cc1 ZINC000873273227 735744930 /nfs/dbraw/zinc/74/49/30/735744930.db2.gz ZJIMNXPDIHEUHC-VDGAXYAQSA-N 2 0 364.555 3.058 20 0 FGADRP Brc1ccc2c(c1)CC[C@H]2[NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873289536 735746715 /nfs/dbraw/zinc/74/67/15/735746715.db2.gz JESKYDKFLJQSNF-NVXWUHKLSA-N 2 0 365.315 3.185 20 0 FGADRP Brc1ccc2c(c1)CC[C@H]2[NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873289535 735746783 /nfs/dbraw/zinc/74/67/83/735746783.db2.gz JESKYDKFLJQSNF-DOTOQJQBSA-N 2 0 365.315 3.185 20 0 FGADRP C[C@@H]([NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2)c1cccc(Br)c1 ZINC000873290045 735747216 /nfs/dbraw/zinc/74/72/16/735747216.db2.gz NNPSSLDYIAKVQF-CZUORRHYSA-N 2 0 353.304 3.258 20 0 FGADRP C[N@@H+]1CC[C@@]2(CC[NH+](C[C@@H]3CCCCN(C(=O)OC(C)(C)C)C3)C2)C1 ZINC000877546546 736682239 /nfs/dbraw/zinc/68/22/39/736682239.db2.gz UAURXIULXZZHDJ-FXAWDEMLSA-N 2 0 351.535 3.051 20 0 FGADRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2cc3nc(Cl)ccc3s2)CC1 ZINC000877574423 736687143 /nfs/dbraw/zinc/68/71/43/736687143.db2.gz JMCKFGMUBRTJKX-UHFFFAOYSA-N 2 0 366.962 3.455 20 0 FGADRP COCC[N@@H+](Cc1sc(C)nc1C(F)(F)F)CC1CC[NH+](C)CC1 ZINC000879125431 736958582 /nfs/dbraw/zinc/95/85/82/736958582.db2.gz CCRUZMGOWUJPHN-UHFFFAOYSA-N 2 0 365.465 3.261 20 0 FGADRP C[C@@H](CCNCc1c2c(nn1C)CCSC2)[N@H+](C)Cc1ccccc1 ZINC000883027108 737513908 /nfs/dbraw/zinc/51/39/08/737513908.db2.gz PDRJBBVDXXKTKP-INIZCTEOSA-N 2 0 358.555 3.210 20 0 FGADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@@H+]2CCc2ccccc2Br)C1 ZINC000883435584 737566412 /nfs/dbraw/zinc/56/64/12/737566412.db2.gz WRRBBYRSPMFGCF-BPQIPLTHSA-N 2 0 367.331 3.352 20 0 FGADRP CC[NH+](CC)CCC[C@@H](C)NC(=O)[C@@H]([NH3+])c1ccc(Br)cc1 ZINC000884176283 737640955 /nfs/dbraw/zinc/64/09/55/737640955.db2.gz BHEXDYPAHWSVED-CJNGLKHVSA-N 2 0 370.335 3.076 20 0 FGADRP O[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@H]2CCOC3(CCCCC3)C2)CC1 ZINC000886026261 739210076 /nfs/dbraw/zinc/21/00/76/739210076.db2.gz RTVMUTOQJPDSDJ-SLFFLAALSA-N 2 0 350.547 3.226 20 0 FGADRP CCOC(=O)c1ncc(C[NH2+]CCCC[NH+]2C[C@@H](C)C[C@H](C)C2)s1 ZINC000892587564 740020125 /nfs/dbraw/zinc/02/01/25/740020125.db2.gz AJUOFLJQCUEISQ-GJZGRUSLSA-N 2 0 353.532 3.168 20 0 FGADRP C[NH+](C)CCOc1ccc(C[NH2+]Cc2cnc(CC(F)(F)F)s2)cc1 ZINC000892609825 740023276 /nfs/dbraw/zinc/02/32/76/740023276.db2.gz BAMDTBXAWGDHKW-UHFFFAOYSA-N 2 0 373.444 3.478 20 0 FGADRP CCn1c(C[NH2+]CC2CC[NH+](C)CC2)nc2cc(Br)ccc21 ZINC000894000402 742225093 /nfs/dbraw/zinc/22/50/93/742225093.db2.gz ONBPHSPHTKCWRE-UHFFFAOYSA-N 2 0 365.319 3.250 20 0 FGADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H](CC(F)F)NC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000894050852 742232047 /nfs/dbraw/zinc/23/20/47/742232047.db2.gz VAMTVIBATGAGTH-KKUMJFAQSA-N 2 0 363.493 3.197 20 0 FGADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@H]2CC[N@@H+](C(C)C)C2)C[C@@H]1C(F)(F)F ZINC000894454901 742285859 /nfs/dbraw/zinc/28/58/59/742285859.db2.gz BRVMVSOVWWYBPD-QXSJWSMHSA-N 2 0 364.452 3.217 20 0 FGADRP Cc1csc(C[C@H]2CCC[N@H+](Cc3ccnn3-c3ccncc3)C2)n1 ZINC000895822015 742457630 /nfs/dbraw/zinc/45/76/30/742457630.db2.gz MEUMARKLFBYAOA-MRXNPFEDSA-N 2 0 353.495 3.487 20 0 FGADRP C[C@@H](C[NH2+]C1CC[NH+](CC(C)(C)O)CC1)c1ccc(Br)cc1 ZINC000897473099 742681919 /nfs/dbraw/zinc/68/19/19/742681919.db2.gz VYTKCPXPGJLHAA-AWEZNQCLSA-N 2 0 369.347 3.378 20 0 FGADRP O=C(Nc1ccc(SCC[NH+]2CCCC2)cc1)[C@@]12CC[N@H+](C1)CCC2 ZINC000898280313 742768060 /nfs/dbraw/zinc/76/80/60/742768060.db2.gz ZDJDXTNHNJSRNL-FQEVSTJZSA-N 2 0 359.539 3.299 20 0 FGADRP COC[C@H](CCC[NH3+])[NH2+]CCc1cc(Br)ccc1SC ZINC000902432123 743743037 /nfs/dbraw/zinc/74/30/37/743743037.db2.gz VGQWKTYMSNIFDG-AWEZNQCLSA-N 2 0 361.349 3.057 20 0 FGADRP C[C@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[NH2+][C@H]1C[C@H](C[NH3+])C1 ZINC000902485133 743749080 /nfs/dbraw/zinc/74/90/80/743749080.db2.gz HZBAGEABFLGZNC-CKYFFXLPSA-N 2 0 363.811 3.403 20 0 FGADRP O[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)c1cccc(Br)c1 ZINC000903168555 743815706 /nfs/dbraw/zinc/81/57/06/743815706.db2.gz XITCQQNKRMAVKM-ONQFOCNCSA-N 2 0 365.315 3.230 20 0 FGADRP Clc1cccc(C2CC[NH+](Cc3cnnn3[C@H]3CCC[NH2+]C3)CC2)c1 ZINC000903909607 743895707 /nfs/dbraw/zinc/89/57/07/743895707.db2.gz GIYAZMZSTQPURG-SFHVURJKSA-N 2 0 359.905 3.236 20 0 FGADRP c1csc(-c2ncc(CN3C[C@H]4CC[C@@H](C3)N4C3CC[NH2+]CC3)s2)c1 ZINC000903980158 743907830 /nfs/dbraw/zinc/90/78/30/743907830.db2.gz KOHIVCAOADHUNC-IYBDPMFKSA-N 2 0 374.579 3.272 20 0 FGADRP [NH3+]C[C@@H]1CC2(CO1)CC[NH+](Cc1c(Cl)cccc1N1CCCC1)CC2 ZINC000904390776 743951092 /nfs/dbraw/zinc/95/10/92/743951092.db2.gz CJAFPQCRVLLIMG-INIZCTEOSA-N 2 0 363.933 3.270 20 0 FGADRP CCOc1c(Cl)cc(C[NH+]2CCC3(CO[C@H](C[NH3+])C3)CC2)cc1OC ZINC000904389851 743951147 /nfs/dbraw/zinc/95/11/47/743951147.db2.gz WODSPKKNNRFREQ-HNNXBMFYSA-N 2 0 368.905 3.077 20 0 FGADRP Cc1nn(-c2ccc(Br)cc2)cc1C[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000904405975 743952785 /nfs/dbraw/zinc/95/27/85/743952785.db2.gz NASVKOWSBGFRKC-CQSZACIVSA-N 2 0 363.303 3.114 20 0 FGADRP CCOc1cc(C[N@@H+]2CC[C@H](CC[NH3+])C2)cc(Br)c1OC ZINC000904411270 743953053 /nfs/dbraw/zinc/95/30/53/743953053.db2.gz TUKDIYFRDKCFKZ-LBPRGKRZSA-N 2 0 357.292 3.027 20 0 FGADRP CSC1(C[NH2+]C[C@H](O)c2ccc(Cl)c(Cl)c2)CC[NH+](C)CC1 ZINC000905263689 744007724 /nfs/dbraw/zinc/00/77/24/744007724.db2.gz ORULCRCTMVXVMK-HNNXBMFYSA-N 2 0 363.354 3.444 20 0 FGADRP CC1(C)CC([NH2+]C[C@@H](O)c2cccc(Br)c2)CC(C)(C)[NH2+]1 ZINC000913111565 757461781 /nfs/dbraw/zinc/46/17/81/757461781.db2.gz CDVAUKAVKULNST-OAHLLOKOSA-N 2 0 355.320 3.381 20 0 FGADRP CSC1(C[NH2+]Cc2nc(C)c(Br)s2)CC[NH+](C)CC1 ZINC000922139072 758858566 /nfs/dbraw/zinc/85/85/66/758858566.db2.gz MHMFAKMGNOEAGH-UHFFFAOYSA-N 2 0 364.378 3.131 20 0 FGADRP CC(C)[C@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1cc3cc(Cl)cnc3o1)C2 ZINC000922391541 758911652 /nfs/dbraw/zinc/91/16/52/758911652.db2.gz WMVHFCCXJYGNJQ-MTNOOBJLSA-N 2 0 363.889 3.051 20 0 FGADRP CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1cc(Cl)cc(Cl)c1N)C2 ZINC000922391538 758911820 /nfs/dbraw/zinc/91/18/20/758911820.db2.gz WIYVYWQAORYLRH-XYVMCAHJSA-N 2 0 372.340 3.145 20 0 FGADRP C[C@@H](c1ccc(Br)cc1)[NH+]1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000923448694 759119285 /nfs/dbraw/zinc/11/92/85/759119285.db2.gz GFNVJQLNFMHFGL-XJKSGUPXSA-N 2 0 353.304 3.340 20 0 FGADRP COC(=O)c1ccc(-c2nc(C[N@@H+]3CC[C@@H](C[NH3+])[C@@H](C)C3)cs2)cc1 ZINC000923499021 759132095 /nfs/dbraw/zinc/13/20/95/759132095.db2.gz QELHUEXAJCSHBJ-BBRMVZONSA-N 2 0 359.495 3.013 20 0 FGADRP C[C@@H]([NH2+]CCNC(=O)c1ccccc1Cl)c1cccc(C[NH+](C)C)c1 ZINC000925059051 759439529 /nfs/dbraw/zinc/43/95/29/759439529.db2.gz BDIYCJCSQYDYST-OAHLLOKOSA-N 2 0 359.901 3.482 20 0 FGADRP COc1ccc(Cl)cc1NC(=O)CC[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925531428 759501171 /nfs/dbraw/zinc/50/11/71/759501171.db2.gz ZEICNWRCYWBKGC-ZIAGYGMSSA-N 2 0 353.894 3.173 20 0 FGADRP COc1ncc(Br)cc1C[NH2+][C@@H](CCC[NH3+])c1ccccc1 ZINC000925719940 759525956 /nfs/dbraw/zinc/52/59/56/759525956.db2.gz QOXUWGOVQXSTRQ-INIZCTEOSA-N 2 0 364.287 3.423 20 0 FGADRP CC[C@@H]([NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1cccc(Cl)c1F ZINC000925855491 759560399 /nfs/dbraw/zinc/56/03/99/759560399.db2.gz KRHCZTPIJRYDDG-IUODEOHRSA-N 2 0 354.853 3.205 20 0 FGADRP CC(C)CC[NH+]1CCC([NH2+]C[C@H]2C[C@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC000926802593 759824615 /nfs/dbraw/zinc/82/46/15/759824615.db2.gz UGYYHWMPLHCHIY-SAABIXHNSA-N 2 0 353.551 3.390 20 0 FGADRP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]C[C@@H]2CCC3(CCOCC3)O2)CC1 ZINC000927014162 759876663 /nfs/dbraw/zinc/87/66/63/759876663.db2.gz NQQJTAPPVBPEJN-YZGWKJHDSA-N 2 0 350.547 3.347 20 0 FGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]C2CCC(C)([NH+]3CCC3)CC2)[C@H](C)C1 ZINC000927039502 759880707 /nfs/dbraw/zinc/88/07/07/759880707.db2.gz UPRIPBYDIBUVFQ-NFYVFUGESA-N 3 0 351.579 3.120 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C2CCC(C)([NH+]3CCC3)CC2)[C@H](C)C1 ZINC000927039503 759880846 /nfs/dbraw/zinc/88/08/46/759880846.db2.gz UPRIPBYDIBUVFQ-OSIBBQKWSA-N 3 0 351.579 3.120 20 0 FGADRP CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C[NH2+]C2CC[NH+](CC3CC3)CC2)C1 ZINC000927124098 759899627 /nfs/dbraw/zinc/89/96/27/759899627.db2.gz CDOZSUAOVRBBKQ-FUHWJXTLSA-N 2 0 351.535 3.144 20 0 FGADRP C[N@@H+]1CC[C@H]([NH2+][C@@H]2C[C@H](OC(C)(C)C)C23CCOCC3)[C@H]2CCC[C@@H]21 ZINC000927161236 759910442 /nfs/dbraw/zinc/91/04/42/759910442.db2.gz GNFWXBZLUZAEHX-SPOLIRPYSA-N 2 0 350.547 3.202 20 0 FGADRP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C1)C2 ZINC000930602483 760653639 /nfs/dbraw/zinc/65/36/39/760653639.db2.gz UKUOEXRHLZHBMT-FUHIMQAGSA-N 2 0 351.535 3.098 20 0 FGADRP C[C@@H]1[C@H](C(=O)N2CCC[C@H]2C[NH+](C)Cc2ccc(Cl)cc2)CC[N@@H+]1C ZINC000960639413 762736518 /nfs/dbraw/zinc/73/65/18/762736518.db2.gz BOLTVOKBAHLMRC-AYOQOUSVSA-N 2 0 363.933 3.103 20 0 FGADRP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCCCC[NH+]2Cc2ccsc2)CC[N@@H+]1C ZINC000968867360 762843123 /nfs/dbraw/zinc/84/31/23/762843123.db2.gz VLQYOHGDXDTERU-CEXWTWQISA-N 2 0 363.571 3.339 20 0 FGADRP Cc1cc(C[NH+]2CCCCC[C@H]2CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cs1 ZINC000968864624 762843853 /nfs/dbraw/zinc/84/38/53/762843853.db2.gz ZCBVVEJBLBOJEZ-NZSAHSFTSA-N 2 0 363.571 3.258 20 0 FGADRP Cc1cc(C[NH+](C)C2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)c(C)s1 ZINC000985438010 763929265 /nfs/dbraw/zinc/92/92/65/763929265.db2.gz GXWJSUBPHKPHLQ-DNVCBOLYSA-N 2 0 363.571 3.128 20 0 FGADRP CC[C@@H]1[C@@H](C(=O)N2CCC([C@H]3CCC[NH+]3C/C=C/Cl)CC2)CC[N@@H+]1C ZINC001004453925 765432718 /nfs/dbraw/zinc/43/27/18/765432718.db2.gz XUKPNMZULFGHTI-PMFJAIBQSA-N 2 0 367.965 3.172 20 0 FGADRP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]([NH2+]Cc3c(C)cccc3Cl)C2)CC[N@@H+]1C ZINC001018873928 765847045 /nfs/dbraw/zinc/84/70/45/765847045.db2.gz ZUNXIJGKFDLWMG-TXPKVOOTSA-N 2 0 363.933 3.069 20 0 FGADRP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3c(Cl)cccc3Cl)C2)CC[N@@H+]1C ZINC001020172052 765866190 /nfs/dbraw/zinc/86/61/90/765866190.db2.gz KIDMWZGRSABWBG-AAVRWANBSA-N 2 0 370.324 3.070 20 0 FGADRP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCC[NH+](Cc3ccc(Cl)cc3)C2)CC[N@@H+]1C ZINC001023377503 766036291 /nfs/dbraw/zinc/03/62/91/766036291.db2.gz ODVWYAGNEJGQEJ-HHXXYDBFSA-N 2 0 363.933 3.008 20 0 FGADRP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CC[NH+](Cc3ccccc3Cl)C2)CC[N@@H+]1C ZINC001028552165 766124992 /nfs/dbraw/zinc/12/49/92/766124992.db2.gz IEWGGKDPFRBTIN-VDZJLULYSA-N 2 0 363.933 3.008 20 0 FGADRP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH2+][C@@H]4CCO[C@]5(CCOC5)C4)[C@@H]3C2)cc1 ZINC000359894274 210194753 /nfs/dbraw/zinc/19/47/53/210194753.db2.gz FWDOPMPJIZPLKO-BVAFDOMYSA-N 2 0 370.537 3.215 20 0 FGADRP CC1CC[NH+](CCCC[NH2+][C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000779020711 724381519 /nfs/dbraw/zinc/38/15/19/724381519.db2.gz WXZCQLJCJHFUEY-SFHVURJKSA-N 2 0 353.551 3.488 20 0 FGADRP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000069102120 221321568 /nfs/dbraw/zinc/32/15/68/221321568.db2.gz JCGPISICZSPEQD-FQEVSTJZSA-N 2 0 372.557 3.071 20 0 FGADRP Clc1cc(Cl)c2c(c1)C=C(C[NH2+]CCCC[NH+]1CCOCC1)CO2 ZINC000102422762 257350840 /nfs/dbraw/zinc/35/08/40/257350840.db2.gz MGKAHFHVKSYGBE-UHFFFAOYSA-N 2 0 371.308 3.471 20 0 FGADRP C[N@@H+]1CC[C@H](CNc2cc[nH+]cc2C(N)=O)[C@H]1c1ccc(Cl)c(F)c1 ZINC000302145618 257385484 /nfs/dbraw/zinc/38/54/84/257385484.db2.gz JBVYGVDKPPBAKX-SJKOYZFVSA-N 2 0 362.836 3.078 20 0 FGADRP C[NH+]1CCN(CCC[NH2+][C@@H](c2ccc(Br)cc2)C2CC2)CC1 ZINC000091266633 494575861 /nfs/dbraw/zinc/57/58/61/494575861.db2.gz AYDISCRIMSKKEY-GOSISDBHSA-N 2 0 366.347 3.127 20 0 FGADRP CC(C)[NH2+]CCCNC(=O)NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000576688068 505570765 /nfs/dbraw/zinc/57/07/65/505570765.db2.gz QLGIZTWHXSSDRX-SFHVURJKSA-N 2 0 360.546 3.248 20 0 FGADRP Cc1nsc(C)c1C[NH+]1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000579669323 505597981 /nfs/dbraw/zinc/59/79/81/505597981.db2.gz ZAWUKSYNSVSPTC-GASCZTMLSA-N 2 0 351.560 3.471 20 0 FGADRP CC[C@H](C(=O)NC[C@@H](C[NH+](C)C)c1ccc(Cl)cc1)[NH+](CC)CC ZINC000573716061 505602631 /nfs/dbraw/zinc/60/26/31/505602631.db2.gz OCORFYIXGLRADH-FUHWJXTLSA-N 2 0 353.938 3.222 20 0 FGADRP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)N1CCC(CC[NH3+])CC1 ZINC000568053149 505604293 /nfs/dbraw/zinc/60/42/93/505604293.db2.gz SRKJLQKGGFGIMI-SFHVURJKSA-N 2 0 372.557 3.331 20 0 FGADRP C[C@@H]([NH2+]CCNC(=O)CC1CCCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000576882969 505615964 /nfs/dbraw/zinc/61/59/64/505615964.db2.gz OSQUGVOWUYMOMD-WIYYLYMNSA-N 2 0 357.542 3.183 20 0 FGADRP C[C@@H]1CCCN(CC[NH2+]CCC(=O)Nc2cccc(C(F)(F)F)c2)C1 ZINC000576897817 505618938 /nfs/dbraw/zinc/61/89/38/505618938.db2.gz OYCDXLZODSGBIW-CQSZACIVSA-N 2 0 357.420 3.356 20 0 FGADRP C[C@@H](C(=O)Nc1cccc(C(F)(F)F)c1)[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000579838764 505630497 /nfs/dbraw/zinc/63/04/97/505630497.db2.gz WWJDEHNLNFKNSH-DZGCQCFKSA-N 2 0 369.431 3.354 20 0 FGADRP Cc1ncncc1[C@H](C)[NH2+]Cc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000576957955 505634279 /nfs/dbraw/zinc/63/42/79/505634279.db2.gz UAMFLDXSADWTKI-ZACQAIPSSA-N 2 0 354.498 3.245 20 0 FGADRP C[N@@H+]1CCN(C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)CC12CCCCC2 ZINC000568178093 505636005 /nfs/dbraw/zinc/63/60/05/505636005.db2.gz GWHZCYDNMILLJL-QFIPXVFZSA-N 2 0 371.569 3.228 20 0 FGADRP C[C@@H]1C[C@@H](NC(=O)NCc2ccccc2C[N@@H+]2CCCC[C@H]2C)CC[NH2+]1 ZINC000571060784 505644165 /nfs/dbraw/zinc/64/41/65/505644165.db2.gz SQKLLSWWXBJPFL-HLIPFELVSA-N 2 0 358.530 3.001 20 0 FGADRP CCC1(CNC(=O)N2CCC[C@H](C[NH3+])C2)CC[NH+](Cc2ccccc2)CC1 ZINC000568232920 505649201 /nfs/dbraw/zinc/64/92/01/505649201.db2.gz RGRITMSQSQWQBP-HXUWFJFHSA-N 2 0 372.557 3.059 20 0 FGADRP OCCCSCC[NH2+][C@@H]1CCCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000573987894 505667063 /nfs/dbraw/zinc/66/70/63/505667063.db2.gz JKAJDYUSQSXZFG-PCCBWWKXSA-N 2 0 362.583 3.382 20 0 FGADRP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000577163541 505677549 /nfs/dbraw/zinc/67/75/49/505677549.db2.gz ICTCGPQWQUKDPZ-BBTUJRGHSA-N 2 0 372.557 3.472 20 0 FGADRP C[C@@H](NC(=O)NCc1ccccc1C[NH+]1CCCCCC1)[C@H]1CCC[NH2+]C1 ZINC000577164710 505677887 /nfs/dbraw/zinc/67/78/87/505677887.db2.gz XIIYCYCKQFWKPM-MOPGFXCFSA-N 2 0 372.557 3.250 20 0 FGADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)N2CCC[NH+](C(C)(C)C)CC2)C1 ZINC000057618012 493779435 /nfs/dbraw/zinc/77/94/35/493779435.db2.gz LJBKRYLMLUPCKM-QUCCMNQESA-N 2 0 372.557 3.338 20 0 FGADRP C[NH+](C)Cc1ccc(CNC(=O)c2cccc(C[NH+]3CCCC3)c2)cc1 ZINC000068411762 493814836 /nfs/dbraw/zinc/81/48/36/493814836.db2.gz TURMKSPFJWMOFT-UHFFFAOYSA-N 2 0 351.494 3.274 20 0 FGADRP C[C@H](CC(=O)N[C@@H]1CCN(C)[C@@H]1c1ccc(Cl)cc1)[C@@H]1CCC[NH2+]C1 ZINC000568388231 505682555 /nfs/dbraw/zinc/68/25/55/505682555.db2.gz LAWDBCSEIKTEET-QSFMABPGSA-N 2 0 363.933 3.227 20 0 FGADRP C[C@@H](CNC(=O)NC1CC[NH+](CC2CCCC2)CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000068887157 493889529 /nfs/dbraw/zinc/88/95/29/493889529.db2.gz LPSSWWKOFRGIMM-MSOLQXFVSA-N 2 0 364.578 3.061 20 0 FGADRP C[NH+](C)[C@H](CNC(=O)c1cccc(C[NH+]2CCCC2)c1)c1cccs1 ZINC000050024749 493891496 /nfs/dbraw/zinc/89/14/96/493891496.db2.gz PZLAHBBGIWECIS-GOSISDBHSA-N 2 0 357.523 3.377 20 0 FGADRP CSc1ccc(C[NH2+]CCN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000060833561 493955650 /nfs/dbraw/zinc/95/56/50/493955650.db2.gz FLHQXWHWTXLOMW-UHFFFAOYSA-N 2 0 355.551 3.316 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H]1COc2ccccc2O1 ZINC000568427421 505691823 /nfs/dbraw/zinc/69/18/23/505691823.db2.gz UUMVEMVBBVPROP-MISYRCLQSA-N 2 0 352.478 3.327 20 0 FGADRP C[NH+](C)Cc1cccc(CNC(=O)NCC2([NH+](C)C)CCCCCC2)c1 ZINC000061378971 493976052 /nfs/dbraw/zinc/97/60/52/493976052.db2.gz GGMCXDPFXWHKHV-UHFFFAOYSA-N 2 0 360.546 3.202 20 0 FGADRP C[N@@H+]1CCN(CCC[NH2+]Cc2ccc3c(n2)CCC3)[C@@H](c2ccccc2)C1 ZINC000580165070 505693022 /nfs/dbraw/zinc/69/30/22/505693022.db2.gz UBPGROTUOGDODK-HSZRJFAPSA-N 2 0 364.537 3.039 20 0 FGADRP C[NH+](C)CCNC(=O)c1ccc(C[NH2+]Cc2ccc(Cl)c(F)c2)cc1 ZINC000076893850 493985044 /nfs/dbraw/zinc/98/50/44/493985044.db2.gz HQWWODJKMHZTGD-UHFFFAOYSA-N 2 0 363.864 3.060 20 0 FGADRP CC[N@H+](C)Cc1cccc(CNC(=O)NCCC[NH+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000061863598 493997037 /nfs/dbraw/zinc/99/70/37/493997037.db2.gz GKGGTYOFNLJFJW-KDURUIRLSA-N 2 0 374.573 3.306 20 0 FGADRP C[C@H](CC[NH+](C)C)NC(=O)NC[C@@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC000062503946 494014749 /nfs/dbraw/zinc/01/47/49/494014749.db2.gz KXWDDRXROBVIPB-QUCCMNQESA-N 2 0 360.546 3.099 20 0 FGADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N(CC[NH+](C)C)Cc1cccs1 ZINC000084440687 494073188 /nfs/dbraw/zinc/07/31/88/494073188.db2.gz YUGPXXMMNDGGQA-QGZVFWFLSA-N 2 0 366.575 3.086 20 0 FGADRP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc(OC)c(OCc3cccnc3)c2)C1 ZINC000063917493 494098384 /nfs/dbraw/zinc/09/83/84/494098384.db2.gz FXJLOHOAGNWPQS-LJQANCHMSA-N 2 0 369.509 3.491 20 0 FGADRP C[C@@H](NC(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1)C(C)(C)C[NH+](C)C ZINC000085387016 494118762 /nfs/dbraw/zinc/11/87/62/494118762.db2.gz SKSSTPJXLQTNBL-IAGOWNOFSA-N 2 0 364.534 3.082 20 0 FGADRP CC[NH+]1CCC(NC(=O)C[N@H+](CC2CCC2)[C@H](C)c2ccccc2)CC1 ZINC000077658092 494134064 /nfs/dbraw/zinc/13/40/64/494134064.db2.gz ISVDLOMXHFPLIY-GOSISDBHSA-N 2 0 357.542 3.450 20 0 FGADRP CC[NH+](CC)Cc1ccc(C(=O)N2CC[N@@H+]([C@@H]3C[C@H]3C)C[C@@H](C)C2)cc1 ZINC000568495062 505708937 /nfs/dbraw/zinc/70/89/37/505708937.db2.gz RHDKHRUXHQWCRA-DBXWQHBBSA-N 2 0 357.542 3.331 20 0 FGADRP CC(CC[NH+]1CCCC[C@H]1C1(O)CC1)CC[N@@H+]1CCCC[C@H]1C1(O)CC1 ZINC000568484290 505706185 /nfs/dbraw/zinc/70/61/85/505706185.db2.gz GPZHYRMEKSFDPB-PMACEKPBSA-N 2 0 364.574 3.162 20 0 FGADRP CCC[NH+]1CCC(NCc2ccccc2N2CC[NH+](CCC)CC2)CC1 ZINC000088670590 494254941 /nfs/dbraw/zinc/25/49/41/494254941.db2.gz QJRNWLDTAQSXKV-UHFFFAOYSA-N 2 0 358.574 3.183 20 0 FGADRP C[C@H]([NH2+]Cc1ccncc1OCC[NH+](C)C)c1ccc2c(c1)OCCCO2 ZINC000580240813 505711083 /nfs/dbraw/zinc/71/10/83/505711083.db2.gz SNHOTPWTDYNNDG-INIZCTEOSA-N 2 0 371.481 3.034 20 0 FGADRP O=C(NCC1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000089393326 494299058 /nfs/dbraw/zinc/29/90/58/494299058.db2.gz RYVKJJLHCLHPIS-LJQANCHMSA-N 2 0 370.541 3.069 20 0 FGADRP C[C@H](C[NH+]1CCCCC1)NC(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000078559857 494320070 /nfs/dbraw/zinc/32/00/70/494320070.db2.gz VYBHFLTYMWVSKB-SJORKVTESA-N 2 0 364.559 3.059 20 0 FGADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H](c2cccc(Cl)c2)N2CCOCC2)[C@H](C)C1 ZINC000089549098 494324254 /nfs/dbraw/zinc/32/42/54/494324254.db2.gz IDVJFLMUXRBTTC-UXPWSPDFSA-N 2 0 365.949 3.033 20 0 FGADRP O=C(NCCC[NH2+]C1CC[NH+](C2CCCCC2)CC1)c1cccc(F)c1 ZINC000089585661 494326053 /nfs/dbraw/zinc/32/60/53/494326053.db2.gz KOHMUWFSWGQBNU-UHFFFAOYSA-N 2 0 361.505 3.332 20 0 FGADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)NCCC[NH+]1CCCCC1 ZINC000078598756 494327600 /nfs/dbraw/zinc/32/76/00/494327600.db2.gz DGEHCKJFWXSAMZ-UHFFFAOYSA-N 2 0 360.546 3.202 20 0 FGADRP C[C@H](C(=O)Nc1cccc(C[NH+]2CCSCC2)c1)[NH+]1CCCCCC1 ZINC000078715025 494347873 /nfs/dbraw/zinc/34/78/73/494347873.db2.gz VBPSALQDSBDBRC-QGZVFWFLSA-N 2 0 361.555 3.438 20 0 FGADRP CC(C)(C)OC(=O)N1CCC(C[NH+]2CCC([NH+]3CCCC3)CC2)CC1 ZINC000066533897 494351655 /nfs/dbraw/zinc/35/16/55/494351655.db2.gz RHNMEJOIFAUDQQ-UHFFFAOYSA-N 2 0 351.535 3.194 20 0 FGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000078799998 494363909 /nfs/dbraw/zinc/36/39/09/494363909.db2.gz FTUCGDYOBGZRMH-LJQANCHMSA-N 2 0 361.555 3.437 20 0 FGADRP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000079121452 494406447 /nfs/dbraw/zinc/40/64/47/494406447.db2.gz JOPNZJAEQDGUAO-ICSRJNTNSA-N 2 0 360.546 3.243 20 0 FGADRP C[C@H]([NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1)c1ccsc1 ZINC000090028837 494431102 /nfs/dbraw/zinc/43/11/02/494431102.db2.gz OYLROXFIVFLJEA-INIZCTEOSA-N 2 0 357.523 3.425 20 0 FGADRP C[NH+](C)CCNC(=O)c1ccc(C[NH2+][C@@H]2CCSc3ccccc32)cc1 ZINC000090038540 494431595 /nfs/dbraw/zinc/43/15/95/494431595.db2.gz YEMIVOYQVBVQTF-LJQANCHMSA-N 2 0 369.534 3.305 20 0 FGADRP CC[NH+](CC)CCCNC(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000074001656 494463897 /nfs/dbraw/zinc/46/38/97/494463897.db2.gz XECYZVMTUFEMCX-RBUKOAKNSA-N 2 0 352.567 3.014 20 0 FGADRP COc1cc(C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)c(SC)cc1OC ZINC000574204389 505719657 /nfs/dbraw/zinc/71/96/57/505719657.db2.gz DJKJZUGUPUCUKR-OAHLLOKOSA-N 2 0 350.528 3.247 20 0 FGADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@H](CO)Cc1ccc(OC(F)(F)F)cc1 ZINC000090521921 494477188 /nfs/dbraw/zinc/47/71/88/494477188.db2.gz KCDWMWOONJMWMO-GZOSKZMVSA-N 2 0 374.447 3.055 20 0 FGADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CC[C@H](C[NH+](C)CCC)C1 ZINC000074162392 494490428 /nfs/dbraw/zinc/49/04/28/494490428.db2.gz AAPQMYFDXQOCBP-RTBURBONSA-N 2 0 352.567 3.014 20 0 FGADRP CC[NH+]1CCN(c2ccc(NC(=O)[C@@H](C)[NH+]3CCCCCC3)c(C)c2)CC1 ZINC000074170164 494492749 /nfs/dbraw/zinc/49/27/49/494492749.db2.gz WSBUTGHTZINXSG-LJQANCHMSA-N 2 0 372.557 3.340 20 0 FGADRP C[C@@H](CNC(=O)c1oc2ccccc2c1C[NH+](C)C)C[NH+]1CCCCC1 ZINC000074225709 494500995 /nfs/dbraw/zinc/50/09/95/494500995.db2.gz WBQKNIHEHWRNCX-INIZCTEOSA-N 2 0 357.498 3.346 20 0 FGADRP C[C@@H](C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1)[NH+]1CCCCCC1 ZINC000074224668 494501285 /nfs/dbraw/zinc/50/12/85/494501285.db2.gz RVPSOGAQJBYWND-KRWDZBQOSA-N 2 0 361.505 3.171 20 0 FGADRP C[NH+](C)CCOc1cc(C[NH2+][C@H](C[C@H]2CCOC2)c2ccccc2)ccn1 ZINC000090937394 494504983 /nfs/dbraw/zinc/50/49/83/494504983.db2.gz ZEPLAYKXGWBZIK-TZIWHRDSSA-N 2 0 369.509 3.280 20 0 FGADRP C[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)[NH+]1CCCCCC1 ZINC000079710111 494512817 /nfs/dbraw/zinc/51/28/17/494512817.db2.gz RMZASWFNNBIZFW-SFHLNBCPSA-N 2 0 357.542 3.420 20 0 FGADRP CC[NH+](CC)Cc1ccc(C(=O)N2CC[C@@H](C[N@H+](C)CC3CC3)C2)cc1 ZINC000074322863 494518485 /nfs/dbraw/zinc/51/84/85/494518485.db2.gz UFDKPNIVLSEZNQ-FQEVSTJZSA-N 2 0 357.542 3.332 20 0 FGADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NC[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000067390370 494530115 /nfs/dbraw/zinc/53/01/15/494530115.db2.gz QWVZSPWGAPWKJM-OALUTQOASA-N 2 0 374.573 3.400 20 0 FGADRP O=C(c1cccc(C[NH+]2CCCC2)c1)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000107667878 494580683 /nfs/dbraw/zinc/58/06/83/494580683.db2.gz SGPOEQDIXVVCLX-OAQYLSRUSA-N 2 0 355.526 3.373 20 0 FGADRP C[C@H](C[NH2+][C@@H](c1ccc(Br)cc1)C1CC1)N1CC[NH+](C)CC1 ZINC000091333355 494584554 /nfs/dbraw/zinc/58/45/54/494584554.db2.gz AGOMZCVHMNNSTP-RDTXWAMCSA-N 2 0 366.347 3.126 20 0 FGADRP CCOc1c(OC)cc(C[NH+]2CCC(CC[NH+](C)C)CC2)cc1OC ZINC000092381308 494611231 /nfs/dbraw/zinc/61/12/31/494611231.db2.gz ICHZXZJNCMWVOH-UHFFFAOYSA-N 2 0 350.503 3.266 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)c1ccco1 ZINC000067708373 494619118 /nfs/dbraw/zinc/61/91/18/494619118.db2.gz NUYKLUJNSCYKRP-INIZCTEOSA-N 2 0 364.534 3.271 20 0 FGADRP C[C@H](CNC(=O)NCc1ccccc1C[NH+]1CCCC1)[NH+]1CCC(C)CC1 ZINC000067706472 494619365 /nfs/dbraw/zinc/61/93/65/494619365.db2.gz CASLFCHPHLGOQI-LJQANCHMSA-N 2 0 372.557 3.202 20 0 FGADRP CC(C)C[NH+]1CCC(NC(=O)NC[C@H](C(C)C)[NH+]2CCCCCC2)CC1 ZINC000107937832 494623635 /nfs/dbraw/zinc/62/36/35/494623635.db2.gz IHQMNIUYSRHRFM-HXUWFJFHSA-N 2 0 366.594 3.307 20 0 FGADRP CC[NH+](CC)Cc1ccccc1CNC(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000121168300 494628261 /nfs/dbraw/zinc/62/82/61/494628261.db2.gz VDJNVQBIQZINSG-GOSISDBHSA-N 2 0 360.546 3.060 20 0 FGADRP COc1cc(C[NH+]2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)ccc1OC(F)F ZINC000574258780 505733364 /nfs/dbraw/zinc/73/33/64/505733364.db2.gz NSQATZRXBWDBBU-CRAIPNDOSA-N 2 0 370.440 3.015 20 0 FGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@H]2CCCOc3cc(C)c(C)cc32)CC1 ZINC000121252788 494668180 /nfs/dbraw/zinc/66/81/80/494668180.db2.gz ZBWBEQUCLAHGKU-UWJYYQICSA-N 2 0 359.558 3.380 20 0 FGADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@H]1CCCc2ccc(Br)cc21 ZINC000092747338 494736879 /nfs/dbraw/zinc/73/68/79/494736879.db2.gz GRPXBIWHTXAAPZ-KSSFIOAISA-N 2 0 366.347 3.052 20 0 FGADRP Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)[C@@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC000080610648 494744666 /nfs/dbraw/zinc/74/46/66/494744666.db2.gz DLSBODCLJPERRD-RTBURBONSA-N 2 0 373.566 3.357 20 0 FGADRP C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)CC(=O)Nc1ccc(F)cc1 ZINC000092821506 494763663 /nfs/dbraw/zinc/76/36/63/494763663.db2.gz KIKJZDWSJZXLCI-UHFFFAOYSA-N 2 0 370.472 3.398 20 0 FGADRP C[NH+](C)[C@@H](CNC(=O)c1cccc(C[NH+]2CCCC2)c1)c1cccc(F)c1 ZINC000108711140 494767252 /nfs/dbraw/zinc/76/72/52/494767252.db2.gz MPUCABZEZAUOAB-NRFANRHFSA-N 2 0 369.484 3.454 20 0 FGADRP C[C@H]1C[N@@H+](C2CCN(CC(C)(C)C[NH+](C)Cc3ccccc3)CC2)CCO1 ZINC000092079542 494782374 /nfs/dbraw/zinc/78/23/74/494782374.db2.gz PVLZQBZDGPRRIH-FQEVSTJZSA-N 2 0 373.585 3.330 20 0 FGADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)C1 ZINC000116422239 494782394 /nfs/dbraw/zinc/78/23/94/494782394.db2.gz HCMWNKDSFLNFAD-MSOLQXFVSA-N 2 0 354.583 3.164 20 0 FGADRP C[NH+](C)CC[C@@H](NC(=O)N1CCC[N@H+](Cc2ccccc2)CC1)C(C)(C)C ZINC000116440423 494786131 /nfs/dbraw/zinc/78/61/31/494786131.db2.gz BDSVLOKLNDCRIP-HXUWFJFHSA-N 2 0 374.573 3.270 20 0 FGADRP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)[C@@H]2CCC[C@@H]21 ZINC000568642557 505743288 /nfs/dbraw/zinc/74/32/88/505743288.db2.gz PYRRKWLHTIPGOT-FKBYEOEOSA-N 3 0 357.542 3.124 20 0 FGADRP COc1ccc([C@@H]2CCCN2C(=O)C[NH+]2CCC(CC[NH+](C)C)CC2)cc1 ZINC000121610853 494820072 /nfs/dbraw/zinc/82/00/72/494820072.db2.gz OSINVMAYTWJQML-NRFANRHFSA-N 2 0 373.541 3.022 20 0 FGADRP COc1ccc(C[N@H+](C)CC2CC[NH+](C)CC2)cc1OCc1cccnc1 ZINC000093089143 494824635 /nfs/dbraw/zinc/82/46/35/494824635.db2.gz MYDDHLQZOSHFNZ-UHFFFAOYSA-N 2 0 369.509 3.443 20 0 FGADRP C[C@H](C(=O)NCc1cccs1)[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000121730354 494847491 /nfs/dbraw/zinc/84/74/91/494847491.db2.gz ZSWJCXOZAVHXHS-QGZVFWFLSA-N 2 0 363.571 3.341 20 0 FGADRP C[C@H](C[NH+]1CCCCC1)NC(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000121755713 494853452 /nfs/dbraw/zinc/85/34/52/494853452.db2.gz ZJBJCYGUORNZHQ-XEVCZEQESA-N 2 0 364.578 3.203 20 0 FGADRP C[NH+](C)CCCC1CCN(C(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000132498815 494883680 /nfs/dbraw/zinc/88/36/80/494883680.db2.gz QKFBPMHDAZNUSK-QFIPXVFZSA-N 2 0 371.569 3.479 20 0 FGADRP COc1nc2ccccc2cc1C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000093734987 494915349 /nfs/dbraw/zinc/91/53/49/494915349.db2.gz UIHUWJMFWCLWMS-UHFFFAOYSA-N 2 0 369.509 3.320 20 0 FGADRP CCC[N@H+](C)C[C@H]1CCN(Cc2ccccc2N(C)C2CC[NH+](C)CC2)C1 ZINC000093742260 494916486 /nfs/dbraw/zinc/91/64/86/494916486.db2.gz NELPZGRGFUFKAW-HXUWFJFHSA-N 2 0 372.601 3.381 20 0 FGADRP CN(c1ccccc1C[NH2+]C[C@H]1Cc2ccccc2O1)C1CC[NH+](C)CC1 ZINC000132858619 494934486 /nfs/dbraw/zinc/93/44/86/494934486.db2.gz VJTDWJQOFBRKNI-OAQYLSRUSA-N 2 0 365.521 3.310 20 0 FGADRP COCC[N@H+](C)CCCC1CC[NH+](Cc2cccc(NC(C)=O)c2)CC1 ZINC000122174649 494935992 /nfs/dbraw/zinc/93/59/92/494935992.db2.gz WGKXIWIQZDCDGS-UHFFFAOYSA-N 2 0 361.530 3.215 20 0 FGADRP CC[NH+]1CCN(c2ccc(C[NH2+][C@H](C)c3ccccc3N(C)C)cn2)CC1 ZINC000093942532 494937224 /nfs/dbraw/zinc/93/72/24/494937224.db2.gz BWZOJNRUIGZEBM-GOSISDBHSA-N 2 0 367.541 3.140 20 0 FGADRP CCC[N@H+](CC)C[C@H](C)NC(=O)N[C@@H]1CC[NH+]([C@@H](C)c2ccccc2)C1 ZINC000580417621 505754930 /nfs/dbraw/zinc/75/49/30/505754930.db2.gz RZGLYEMDWXSXGM-CMKODMSKSA-N 2 0 360.546 3.242 20 0 FGADRP Cc1cccc(NCC[NH2+]Cc2ccccc2N(C)C2CC[NH+](C)CC2)n1 ZINC000133500289 495021342 /nfs/dbraw/zinc/02/13/42/495021342.db2.gz UUIDXCBBGSCECS-UHFFFAOYSA-N 2 0 367.541 3.122 20 0 FGADRP C[NH+](C)Cc1c2ccccc2oc1C(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000118786032 495034995 /nfs/dbraw/zinc/03/49/95/495034995.db2.gz JSKTZOCYPQCMTP-UHFFFAOYSA-N 2 0 355.482 3.195 20 0 FGADRP CC(C)Sc1ccc([C@H](C)[NH2+]CCC[N@@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000128107434 495045289 /nfs/dbraw/zinc/04/52/89/495045289.db2.gz JGIYVYHTXIBTQJ-WMZOPIPTSA-N 2 0 363.571 3.425 20 0 FGADRP CCC(CC)[C@H](CNC(=O)N(C)[C@@H]1CC[N@H+](CC)C[C@@H]1C)[NH+]1CCCC1 ZINC000128177144 495056244 /nfs/dbraw/zinc/05/62/44/495056244.db2.gz OIFQGLDCBZDVBZ-SXLOBPIMSA-N 2 0 366.594 3.259 20 0 FGADRP CC1CC[NH+](CCCNC(=O)NCCCCC[NH+]2CCCCC2)CC1 ZINC000111519143 495084554 /nfs/dbraw/zinc/08/45/54/495084554.db2.gz OLCDTWAISAFEGX-UHFFFAOYSA-N 2 0 352.567 3.064 20 0 FGADRP [NH3+]C[C@@H](Cc1ccccc1)[C@@H]1CCCCN1C(=O)C1CC[NH+](C2CC2)CC1 ZINC000577601436 505761635 /nfs/dbraw/zinc/76/16/35/505761635.db2.gz IYBGCRYQTHGJTN-IRLDBZIGSA-N 2 0 369.553 3.060 20 0 FGADRP Cc1ccccc1[C@H](C(C)C)[N@H+](C)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000112357680 495179852 /nfs/dbraw/zinc/17/98/52/495179852.db2.gz LDOBAPZQHSEVRO-QFIPXVFZSA-N 2 0 357.542 3.367 20 0 FGADRP C[C@@H]([NH2+]CCC(=O)N1CCCCCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000129002213 495180949 /nfs/dbraw/zinc/18/09/49/495180949.db2.gz ZFVQHNVNEKRDDY-GOSISDBHSA-N 2 0 361.530 3.070 20 0 FGADRP C[C@H]([NH2+]C(C)(C)CNC(=O)N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1)c1ccccc1 ZINC000129063178 495190688 /nfs/dbraw/zinc/19/06/88/495190688.db2.gz JJVCRLMYDHBLJJ-BQFCYCMXSA-N 2 0 358.530 3.040 20 0 FGADRP C[NH+]1CCN(c2cc(C[NH2+][C@@H]3CCC[C@@H](C(F)(F)F)C3)ccn2)CC1 ZINC000129312111 495226474 /nfs/dbraw/zinc/22/64/74/495226474.db2.gz FQTBKPVJXLZION-HZPDHXFCSA-N 2 0 356.436 3.044 20 0 FGADRP C[NH+](C)Cc1ccc(C(=O)NCC2CC[NH+](Cc3cccs3)CC2)cc1 ZINC000119738054 495230279 /nfs/dbraw/zinc/23/02/79/495230279.db2.gz BYZZVWYBQXGATI-UHFFFAOYSA-N 2 0 371.550 3.452 20 0 FGADRP C[NH+](C)Cc1cccc(NC(=O)NCc2ccc(C[NH+](C)C)c(F)c2)c1 ZINC000135392301 495286199 /nfs/dbraw/zinc/28/61/99/495286199.db2.gz BGRDZFCVCFMKLC-UHFFFAOYSA-N 2 0 358.461 3.271 20 0 FGADRP C[C@H]1C[NH+](Cc2ccc(C[NH2+][C@@H]3CCCc4c3cnn4C)cc2)C[C@H](C)O1 ZINC000124651281 495322572 /nfs/dbraw/zinc/32/25/72/495322572.db2.gz DSKQDIPEWVHARV-XGHQBKJUSA-N 2 0 368.525 3.197 20 0 FGADRP CC(C)[NH2+]C1CCN(C(=O)NCC(C)(C)[NH2+][C@@H](C)c2ccccc2)CC1 ZINC000113625707 495322737 /nfs/dbraw/zinc/32/27/37/495322737.db2.gz DNCMLHCSBZQQKD-KRWDZBQOSA-N 2 0 360.546 3.288 20 0 FGADRP C[NH+](C)CCNC(=O)c1ccc(C[NH2+][C@H]2CCC[C@H](C(F)(F)F)C2)cc1 ZINC000129986807 495323894 /nfs/dbraw/zinc/32/38/94/495323894.db2.gz WGRDKPUHTYKHRA-IRXDYDNUSA-N 2 0 371.447 3.189 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000571625011 505776176 /nfs/dbraw/zinc/77/61/76/505776176.db2.gz RYRKCXTXKCUGRL-RTBURBONSA-N 2 0 372.557 3.331 20 0 FGADRP C[C@@H]1CCN(C(=O)C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c2ccccc2S1 ZINC000574452643 505776802 /nfs/dbraw/zinc/77/68/02/505776802.db2.gz GTFDRTFNGCUREY-SQNIBIBYSA-N 2 0 373.566 3.225 20 0 FGADRP CC(C)[NH+]1CCC(NC(=O)C[N@H+](Cc2ccoc2)C2CCCCC2)CC1 ZINC000124934225 495366078 /nfs/dbraw/zinc/36/60/78/495366078.db2.gz PYUGVEQLSQHNLF-UHFFFAOYSA-N 2 0 361.530 3.403 20 0 FGADRP C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]CC(C)(C)C[NH+](C)C ZINC000120422824 495373916 /nfs/dbraw/zinc/37/39/16/495373916.db2.gz RSRLTMVMJSBNCM-CYBMUJFWSA-N 2 0 370.335 3.344 20 0 FGADRP Cc1cccc(C[C@H]([NH2+]Cc2ccc(N3CC[NH+](C)CC3)nc2)C2CC2)c1 ZINC000130532893 495407060 /nfs/dbraw/zinc/40/70/60/495407060.db2.gz WMJLWTIRTFMXCB-QFIPXVFZSA-N 2 0 364.537 3.253 20 0 FGADRP C[NH+](C)CC1CCC(NC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000125423622 495442452 /nfs/dbraw/zinc/44/24/52/495442452.db2.gz YPZFMCBZTPGTFK-UHFFFAOYSA-N 2 0 372.557 3.202 20 0 FGADRP Cc1cccc(CN(CC[NH+](C)C)C(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)c1 ZINC000114959271 495447058 /nfs/dbraw/zinc/44/70/58/495447058.db2.gz SJOMXXHUIWLERP-OAQYLSRUSA-N 2 0 374.573 3.189 20 0 FGADRP Cc1cccc(CN(CC[NH+](C)C)C(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)c1 ZINC000114959270 495447125 /nfs/dbraw/zinc/44/71/25/495447125.db2.gz SJOMXXHUIWLERP-NRFANRHFSA-N 2 0 374.573 3.189 20 0 FGADRP C[C@@H](C[NH2+][C@H]1CCCOc2ccc(Cl)cc21)CN1CC[NH+](C)CC1 ZINC000120809007 495462360 /nfs/dbraw/zinc/46/23/60/495462360.db2.gz HJWASUSYZKVFMO-YJBOKZPZSA-N 2 0 351.922 3.027 20 0 FGADRP O=C(NCc1cccc(C[NH+]2CCCC2)c1)N1CCCC[C@@H]1c1ncc[nH]1 ZINC000106528712 495462739 /nfs/dbraw/zinc/46/27/39/495462739.db2.gz VJDJTJDJIMAKGJ-LJQANCHMSA-N 2 0 367.497 3.442 20 0 FGADRP C[C@H](C[NH2+][C@@H](Cc1ccccc1)c1ccccc1)CN1CC[NH+](C)CC1 ZINC000120846611 495469955 /nfs/dbraw/zinc/46/99/55/495469955.db2.gz WQGQKIHOOACWKO-OFNKIYASSA-N 2 0 351.538 3.444 20 0 FGADRP C[C@@H](C[NH2+]Cc1ccc(-c2c(F)cccc2F)o1)CN1CC[NH+](C)CC1 ZINC000115616335 495521333 /nfs/dbraw/zinc/52/13/33/495521333.db2.gz VSLTWKHZWBWPQL-HNNXBMFYSA-N 2 0 363.452 3.198 20 0 FGADRP C[C@H](C[NH2+]Cc1ccc(-c2c(F)cccc2F)o1)CN1CC[NH+](C)CC1 ZINC000115616338 495521447 /nfs/dbraw/zinc/52/14/47/495521447.db2.gz VSLTWKHZWBWPQL-OAHLLOKOSA-N 2 0 363.452 3.198 20 0 FGADRP CCC[NH+]1CCC(NC(=O)NCc2ccccc2C[NH+](CC)CC)CC1 ZINC000107329632 495525377 /nfs/dbraw/zinc/52/53/77/495525377.db2.gz QHWMMCGQDMEDNH-UHFFFAOYSA-N 2 0 360.546 3.202 20 0 FGADRP CC[C@H]([NH2+]CCCN1CC[NH+](CC)CC1)c1ccc(OC(F)F)cc1 ZINC000154313168 495577701 /nfs/dbraw/zinc/57/77/01/495577701.db2.gz CCVMAXNNXATUMJ-SFHVURJKSA-N 2 0 355.473 3.356 20 0 FGADRP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000173540675 495581221 /nfs/dbraw/zinc/58/12/21/495581221.db2.gz WNHAYYMERYRDPR-NRFANRHFSA-N 2 0 372.557 3.298 20 0 FGADRP CCC[NH+]1CCC(N(C)C(=O)NC[C@H](C2CCCCC2)[NH+](C)C)CC1 ZINC000170739725 495585120 /nfs/dbraw/zinc/58/51/20/495585120.db2.gz CNHGXEARENLNTM-LJQANCHMSA-N 2 0 352.567 3.013 20 0 FGADRP CC[NH+](CC)Cc1ccc(CNC(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000173557484 495586193 /nfs/dbraw/zinc/58/61/93/495586193.db2.gz VULMOYJEQOFEDH-XLIONFOSSA-N 2 0 360.546 3.153 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc(-n3cncn3)cc2)[C@H](C)C1 ZINC000158828537 495596679 /nfs/dbraw/zinc/59/66/79/495596679.db2.gz YXICMSRAEDNDKC-LQWHRVPQSA-N 2 0 371.529 3.055 20 0 FGADRP C[C@H]([NH2+]CCCC[NH+]1CCN(C)CC1)c1ccc(OC(F)(F)F)cc1 ZINC000154437938 495616334 /nfs/dbraw/zinc/61/63/34/495616334.db2.gz QJXQNEKDLGINMC-HNNXBMFYSA-N 2 0 359.436 3.263 20 0 FGADRP CCN1CC[NH+](CCCC[NH2+][C@H](C)c2ccc(-n3ccnc3C)cc2)CC1 ZINC000154495471 495634877 /nfs/dbraw/zinc/63/48/77/495634877.db2.gz XSNROTCBVZPCGP-LJQANCHMSA-N 2 0 369.557 3.249 20 0 FGADRP CCCC[C@H]([NH3+])C(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000154564239 495655307 /nfs/dbraw/zinc/65/53/07/495655307.db2.gz HHEIFMPBSHOUAR-SFHVURJKSA-N 2 0 351.922 3.186 20 0 FGADRP CCCC[C@@H]([NH3+])C(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000154564356 495655698 /nfs/dbraw/zinc/65/56/98/495655698.db2.gz HHEIFMPBSHOUAR-GOSISDBHSA-N 2 0 351.922 3.186 20 0 FGADRP C[C@@H](CCNC(=O)N(CC[NH+](C)C)Cc1ccccc1)[NH+]1CCCCC1 ZINC000182692811 495665696 /nfs/dbraw/zinc/66/56/96/495665696.db2.gz QYRKOCNJEVURAK-IBGZPJMESA-N 2 0 360.546 3.024 20 0 FGADRP CC[C@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)c1ccccc1OC ZINC000159198796 495681951 /nfs/dbraw/zinc/68/19/51/495681951.db2.gz ICBJDOOPJHYXJI-IBGZPJMESA-N 2 0 354.498 3.083 20 0 FGADRP C[C@@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1ccc(F)cc1Br ZINC000150963664 495695971 /nfs/dbraw/zinc/69/59/71/495695971.db2.gz AODMLYNMHQBULM-CYBMUJFWSA-N 2 0 372.326 3.265 20 0 FGADRP CC[NH+](CC)Cc1cc([C@H](C)[NH2+][C@H]2CCc3nc(C)nn3C2)ccc1OC ZINC000182776374 495699414 /nfs/dbraw/zinc/69/94/14/495699414.db2.gz KLQCQOSZMOGIHO-KXBFYZLASA-N 2 0 371.529 3.103 20 0 FGADRP C[C@H]1CCC[N@H+](CCNC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000159275602 495700237 /nfs/dbraw/zinc/70/02/37/495700237.db2.gz AYJSEKQGHAEWIU-IBGZPJMESA-N 2 0 357.542 3.137 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1)c1ccsc1 ZINC000173823533 495708351 /nfs/dbraw/zinc/70/83/51/495708351.db2.gz IVMUIYNJFYANIB-NJAFHUGGSA-N 2 0 366.575 3.255 20 0 FGADRP C[C@H]([NH2+]C(C)(C)CNC(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21)c1ccccc1 ZINC000182872614 495736294 /nfs/dbraw/zinc/73/62/94/495736294.db2.gz BNKZYXLSHOGREO-IHPCNDPISA-N 2 0 372.557 3.242 20 0 FGADRP COCCN1CCC([NH2+][C@H](C)c2ccc(F)c(Br)c2)CC1 ZINC000154825387 495739151 /nfs/dbraw/zinc/73/91/51/495739151.db2.gz NKAFQNRHAADXJT-GFCCVEGCSA-N 2 0 359.283 3.350 20 0 FGADRP C[C@H](NC(=O)N(CC[NH+](C)C)C1CCCC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182898494 495748289 /nfs/dbraw/zinc/74/82/89/495748289.db2.gz SMGDDNOCEPQUEO-ZWKOTPCHSA-N 2 0 364.578 3.155 20 0 FGADRP COc1cc(-c2ccccc2)ccc1C[NH2+][C@@H](C)CCN1CC[NH+](C)CC1 ZINC000185874600 495759984 /nfs/dbraw/zinc/75/99/84/495759984.db2.gz CNQCXUZOHQUKLV-IBGZPJMESA-N 2 0 367.537 3.478 20 0 FGADRP COc1cc(Cl)c(C[NH2+][C@@H](C)CCN2CC[NH+](C)CC2)cc1Cl ZINC000185879031 495761944 /nfs/dbraw/zinc/76/19/44/495761944.db2.gz DGEQTWQCIJXATE-ZDUSSCGKSA-N 2 0 360.329 3.118 20 0 FGADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@H](Cc1cccc(F)c1)c1cccc(F)c1 ZINC000154904011 495767103 /nfs/dbraw/zinc/76/71/03/495767103.db2.gz BBQUVLVMAFSQTM-HTAPYJJXSA-N 2 0 373.491 3.474 20 0 FGADRP C[C@H](NC(=O)NCCC[NH2+]C1CCCCC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182954945 495773771 /nfs/dbraw/zinc/77/37/71/495773771.db2.gz JTTVTXHLCZYAPT-ZWKOTPCHSA-N 2 0 364.578 3.251 20 0 FGADRP CCCc1nc(CN2CCC(CCC[NH+]3CCOCC3)CC2)cs1 ZINC000182989761 495787010 /nfs/dbraw/zinc/78/70/10/495787010.db2.gz BSMHKIVKWZFMDR-UHFFFAOYSA-N 2 0 351.560 3.420 20 0 FGADRP C[C@@H](C(=O)NC1CC[NH+](CCc2ccccc2)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000171251636 495789435 /nfs/dbraw/zinc/78/94/35/495789435.db2.gz DESWCSMRNKIGFZ-QRVBRYPASA-N 2 0 357.542 3.071 20 0 FGADRP COc1cc(-c2ccccc2)ccc1C[NH2+]C[C@H](C)N1CC[NH+](C)CC1 ZINC000183058731 495816725 /nfs/dbraw/zinc/81/67/25/495816725.db2.gz ZRCKQQQKHVNVGW-SFHVURJKSA-N 2 0 353.510 3.088 20 0 FGADRP CCCCOc1ccc([C@@H](C)[NH2+][C@@H](C)CN2CC[NH+](C)CC2)cc1OC ZINC000155100498 495835995 /nfs/dbraw/zinc/83/59/95/495835995.db2.gz SXLUFEAAGWKIQW-ZWKOTPCHSA-N 2 0 363.546 3.161 20 0 FGADRP CCCCOc1ccc([C@@H](C)[NH2+][C@H](C)CN2CC[NH+](C)CC2)cc1OC ZINC000155100709 495836006 /nfs/dbraw/zinc/83/60/06/495836006.db2.gz SXLUFEAAGWKIQW-QZTJIDSGSA-N 2 0 363.546 3.161 20 0 FGADRP COc1cc([C@@H](C)[NH2+][C@@H](C)CN2CC[NH+](C)CC2)ccc1SC(F)F ZINC000155104546 495837320 /nfs/dbraw/zinc/83/73/20/495837320.db2.gz JNPZWJULVFVPPO-UONOGXRCSA-N 2 0 373.513 3.296 20 0 FGADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000174148884 495837958 /nfs/dbraw/zinc/83/79/58/495837958.db2.gz WMUMMTIHHGGKRM-LJQANCHMSA-N 2 0 372.557 3.154 20 0 FGADRP Cc1ccc2c(c1)[C@H]([NH2+]Cc1ccc(N3CC[NH+](C)CC3)nc1)[C@@H](C)C2 ZINC000180061072 495840997 /nfs/dbraw/zinc/84/09/97/495840997.db2.gz AQWRFUZZUNHPAL-HTAPYJJXSA-N 2 0 350.510 3.165 20 0 FGADRP CC[C@@H](C)NC(=O)[C@@H](C)[NH2+]Cc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000174156691 495841629 /nfs/dbraw/zinc/84/16/29/495841629.db2.gz APFPAXFVNYVGNN-IAGOWNOFSA-N 2 0 357.498 3.304 20 0 FGADRP CCOc1ccc(NC(=O)NCC2([NH+]3CCCCC3)CCN(C)CC2)cc1 ZINC000174174999 495849941 /nfs/dbraw/zinc/84/99/41/495849941.db2.gz XUZPQWNVUAYFSV-UHFFFAOYSA-N 2 0 374.529 3.157 20 0 FGADRP CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)NCc1ccc(C[NH3+])cc1 ZINC000574569599 505805008 /nfs/dbraw/zinc/80/50/08/505805008.db2.gz WCZGGSCVYHGKIN-OAQYLSRUSA-N 2 0 368.525 3.101 20 0 FGADRP C[C@H](C[NH2+][C@@H](Cc1cccnc1)c1ccc(Cl)cc1)N1CC[NH+](C)CC1 ZINC000568937602 505812118 /nfs/dbraw/zinc/81/21/18/505812118.db2.gz IZBYWZUCJAREII-UTKZUKDTSA-N 2 0 372.944 3.244 20 0 FGADRP CN1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@@H]1c1ccc(Cl)cc1 ZINC000571773780 505812180 /nfs/dbraw/zinc/81/21/80/505812180.db2.gz BQXRBXBMOUQBJV-MSOLQXFVSA-N 2 0 354.841 3.163 20 0 FGADRP O=C(CC[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1)Nc1cccc(C(F)(F)F)c1 ZINC000177123570 495935785 /nfs/dbraw/zinc/93/57/85/495935785.db2.gz QERKXKJWKBIFPC-OAHLLOKOSA-N 2 0 369.431 3.452 20 0 FGADRP C[C@H]([NH2+]CC1CC[NH+](CCO)CC1)c1ccc(SCC(F)F)cc1 ZINC000151793312 495949729 /nfs/dbraw/zinc/94/97/29/495949729.db2.gz ZMBXUTPVAIMZGE-AWEZNQCLSA-N 2 0 358.498 3.399 20 0 FGADRP COc1cccc(C[C@@H]([NH2+]CC2CC[NH+](CCO)CC2)c2ccccc2)c1 ZINC000151808633 495954399 /nfs/dbraw/zinc/95/43/99/495954399.db2.gz JXUVZAXVMRWBHK-HSZRJFAPSA-N 2 0 368.521 3.273 20 0 FGADRP Cc1ccc([C@H](CNC(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)[NH+]2CCCC2)cc1 ZINC000174453626 495965726 /nfs/dbraw/zinc/96/57/26/495965726.db2.gz ZHWAWQLSNMQIHH-NRSPTQNISA-N 2 0 372.557 3.256 20 0 FGADRP C[C@@H](c1ccc2ccccc2c1)[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000171656397 495975513 /nfs/dbraw/zinc/97/55/13/495975513.db2.gz KRCZBDGVILJOII-KRWDZBQOSA-N 2 0 353.510 3.291 20 0 FGADRP COc1ccc([C@H]([NH2+]C[C@@H](C)CN2CC[NH+](C)CC2)c2ccccc2)cc1 ZINC000180438633 495996446 /nfs/dbraw/zinc/99/64/46/495996446.db2.gz VWRPXMGTOADCIA-AUSIDOKSSA-N 2 0 367.537 3.258 20 0 FGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H](c2ccccc2)c2ccccn2)CC1 ZINC000180440441 495997350 /nfs/dbraw/zinc/99/73/50/495997350.db2.gz OEPKECOMJNEINA-DENIHFKCSA-N 2 0 352.526 3.034 20 0 FGADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H](C)c2ccc(F)c(Br)c2)CC1 ZINC000155584422 496003852 /nfs/dbraw/zinc/00/38/52/496003852.db2.gz YVZONMXUCGNYPA-KBPBESRZSA-N 2 0 372.326 3.265 20 0 FGADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+]C(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000180496629 496021145 /nfs/dbraw/zinc/02/11/45/496021145.db2.gz QUYGPKTZURFGNT-MRXNPFEDSA-N 2 0 359.464 3.280 20 0 FGADRP Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)CC3 ZINC000180577338 496052563 /nfs/dbraw/zinc/05/25/63/496052563.db2.gz QUVUMFSWNLQUNK-HKUYNNGSSA-N 2 0 367.537 3.424 20 0 FGADRP CC[NH+](CC)CCCNC(=O)C1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000174682742 496060148 /nfs/dbraw/zinc/06/01/48/496060148.db2.gz XIWYRJWUBGICFD-UHFFFAOYSA-N 2 0 368.525 3.299 20 0 FGADRP C[C@H](CCc1ccc(OC(F)F)cc1)[NH2+][C@@H](C)CCN1CC[NH+](C)CC1 ZINC000186592440 496062063 /nfs/dbraw/zinc/06/20/63/496062063.db2.gz RYUSRUFKYGEHFQ-SJORKVTESA-N 2 0 369.500 3.225 20 0 FGADRP CN(C)c1cc[nH+]cc1C(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000183711580 496089123 /nfs/dbraw/zinc/08/91/23/496089123.db2.gz WNXHEKCSQITCGK-RDTXWAMCSA-N 2 0 358.511 3.022 20 0 FGADRP O=C(NCCC[N@@H+]1CCc2ccccc2C1)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC000177655877 496148826 /nfs/dbraw/zinc/14/88/26/496148826.db2.gz DCSIRPUEZQWTRA-OAQYLSRUSA-N 2 0 369.553 3.206 20 0 FGADRP Cc1ccc(Br)cc1NC(=O)CC[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000180829657 496162331 /nfs/dbraw/zinc/16/23/31/496162331.db2.gz URPBMKPNDKOLID-UKRRQHHQSA-N 2 0 368.319 3.158 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)c1ccco1 ZINC000177699697 496163713 /nfs/dbraw/zinc/16/37/13/496163713.db2.gz LDYJNBQKFQEBPW-HKUYNNGSSA-N 2 0 361.530 3.433 20 0 FGADRP C[N@H+](CCC(=O)Nc1cccc(Br)c1)C[C@H]1CCC[NH+](C)C1 ZINC000152491016 496166419 /nfs/dbraw/zinc/16/64/19/496166419.db2.gz PJNIAEGLINZDML-AWEZNQCLSA-N 2 0 368.319 3.051 20 0 FGADRP FC(F)(F)Oc1cccc(CC[NH+]2CCC(C[NH+]3CCOCC3)CC2)c1 ZINC000156195851 496183298 /nfs/dbraw/zinc/18/32/98/496183298.db2.gz CACVOPZCLPWAQA-UHFFFAOYSA-N 2 0 372.431 3.172 20 0 FGADRP CC(C)C[NH+]1CCC(NC(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000172199753 496205705 /nfs/dbraw/zinc/20/57/05/496205705.db2.gz VKNRJGUOKFWSGT-OAQYLSRUSA-N 2 0 372.557 3.071 20 0 FGADRP C[NH+](C)CCC1CC[NH+](C[C@@H](O)Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000156298869 496209381 /nfs/dbraw/zinc/20/93/81/496209381.db2.gz OADZAKLXWSFQOX-SFHVURJKSA-N 2 0 358.448 3.273 20 0 FGADRP CCC(=O)c1cccc(NC(=O)N(CC[NH+](C)C)C[C@H]2CCC[N@H+]2CC)c1 ZINC000152727624 496238492 /nfs/dbraw/zinc/23/84/92/496238492.db2.gz IBPGTSGWHMMGOW-LJQANCHMSA-N 2 0 374.529 3.159 20 0 FGADRP Cc1cccc(CN(CC[NH+](C)C)C(=O)NC2CC[NH+](CC(C)C)CC2)c1 ZINC000172306303 496246936 /nfs/dbraw/zinc/24/69/36/496246936.db2.gz WCURSDHOCSAAPR-UHFFFAOYSA-N 2 0 374.573 3.189 20 0 FGADRP CC1CC[NH+](C2CCC(NC(=O)N(C)C[C@H]3CCC[N@H+](C)C3)CC2)CC1 ZINC000152767020 496249851 /nfs/dbraw/zinc/24/98/51/496249851.db2.gz YTUKFUSILALYTP-HDYDNRTBSA-N 2 0 364.578 3.013 20 0 FGADRP Cc1c([C@H](C)[NH2+]CCc2cn3c(n2)CCCC3)nnn1-c1ccc(F)cc1 ZINC000152787457 496257149 /nfs/dbraw/zinc/25/71/49/496257149.db2.gz PEPMCOVKXMZEIX-AWEZNQCLSA-N 2 0 368.460 3.141 20 0 FGADRP O=C([C@H]1CCC[N@@H+]1Cc1ccccc1)N1CCC[NH+](C2CCCC2)CC1 ZINC000172422953 496292515 /nfs/dbraw/zinc/29/25/15/496292515.db2.gz ZILRFPAGNLQMGU-OAQYLSRUSA-N 2 0 355.526 3.128 20 0 FGADRP CC[NH+](CC)CCOc1ccc(NC(=O)NCC[NH+]2CCCCC2)cc1 ZINC000172458553 496304344 /nfs/dbraw/zinc/30/43/44/496304344.db2.gz KDERBIOYGTZRDA-UHFFFAOYSA-N 2 0 362.518 3.015 20 0 FGADRP CC(C)C[N@@H+]1Cc2cccc(NC(=O)[C@@H]3CCC[NH+]3C3CCOCC3)c2C1 ZINC000162157592 496305687 /nfs/dbraw/zinc/30/56/87/496305687.db2.gz INLHKBQPEACHPN-NRFANRHFSA-N 2 0 371.525 3.240 20 0 FGADRP O=C(NC1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000178087983 496324200 /nfs/dbraw/zinc/32/42/00/496324200.db2.gz NWDORADZXZNPHO-HXUWFJFHSA-N 2 0 369.553 3.422 20 0 FGADRP COCCC1(C[NH+]2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)CCCCC1 ZINC000187196641 496334657 /nfs/dbraw/zinc/33/46/57/496334657.db2.gz IJLATQYJCCRVFT-FQEVSTJZSA-N 2 0 351.579 3.075 20 0 FGADRP C[C@@H]1C[C@H](NC(=O)NCCC[NH+]2CCCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000175327870 496341053 /nfs/dbraw/zinc/34/10/53/496341053.db2.gz LTUUREQTPBJLGY-TZIWHRDSSA-N 2 0 372.557 3.215 20 0 FGADRP Cc1ccccc1C[NH+]1CCC(NC(=O)C[NH2+][C@@H]2CCCC[C@@H]2C)CC1 ZINC000162437527 496352937 /nfs/dbraw/zinc/35/29/37/496352937.db2.gz WMRXDHRTMZLXHJ-GHTZIAJQSA-N 2 0 357.542 3.244 20 0 FGADRP C[C@H]([NH2+]CCCN1CC[NH+](C)CC1)c1ccc(SCC(F)F)cc1 ZINC000162486899 496360452 /nfs/dbraw/zinc/36/04/52/496360452.db2.gz SFXLZKMTYNNPAC-HNNXBMFYSA-N 2 0 357.514 3.332 20 0 FGADRP Cc1ccccc1C[NH+]1CCC(NC(=O)C[NH2+][C@@H](C)c2ccccc2)CC1 ZINC000181376050 496371681 /nfs/dbraw/zinc/37/16/81/496371681.db2.gz DHRMCRHMTIPRFQ-IBGZPJMESA-N 2 0 365.521 3.426 20 0 FGADRP CC(C)[NH+]1CCC(C(=O)N(CC[NH+](C)C)Cc2cccc(Cl)c2)CC1 ZINC000172717815 496400558 /nfs/dbraw/zinc/40/05/58/496400558.db2.gz UHHBTEONPXGFIZ-UHFFFAOYSA-N 2 0 365.949 3.351 20 0 FGADRP CC1(C)CC(NC(=O)NC2CC[NH+](C3CCCC3)CC2)CC(C)(C)[NH2+]1 ZINC000175513586 496421831 /nfs/dbraw/zinc/42/18/31/496421831.db2.gz KMMDMLXSXPBJSB-UHFFFAOYSA-N 2 0 350.551 3.002 20 0 FGADRP O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)NC1CC[NH+](C2CCCC2)CC1 ZINC000175531615 496429963 /nfs/dbraw/zinc/42/99/63/496429963.db2.gz ZNQSMIOZBQWRQB-IBGZPJMESA-N 2 0 374.529 3.123 20 0 FGADRP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N(C)[C@H]1CC[NH+](C)C[C@H]1C ZINC000187474435 496457042 /nfs/dbraw/zinc/45/70/42/496457042.db2.gz RFRHOUCZLYPLLU-GIVPXCGWSA-N 2 0 374.573 3.125 20 0 FGADRP CCCN(C(=O)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1)C1CC[NH2+]CC1 ZINC000163346931 496503192 /nfs/dbraw/zinc/50/31/92/496503192.db2.gz QFTFSKOZRYQWSD-GOSISDBHSA-N 2 0 361.505 3.028 20 0 FGADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000163443828 496516755 /nfs/dbraw/zinc/51/67/55/496516755.db2.gz JRGOQBLNVJOWMW-FQEVSTJZSA-N 2 0 357.542 3.279 20 0 FGADRP CC[N@@H+]1CC[C@@H](N(C)Cc2cc3c(c(Br)c2)OCO3)[C@H](C)C1 ZINC000175730342 496518680 /nfs/dbraw/zinc/51/86/80/496518680.db2.gz KELIKHPMHKMVFT-IUODEOHRSA-N 2 0 369.303 3.340 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(C)c(F)c1 ZINC000157691751 496530150 /nfs/dbraw/zinc/53/01/50/496530150.db2.gz FDNOSUTYAGOLHU-KRWDZBQOSA-N 2 0 350.482 3.014 20 0 FGADRP C[C@@H](C(=O)NCc1ccccc1C[NH+]1CCCC1)[C@H]([NH3+])c1ccccc1 ZINC000178670581 496535563 /nfs/dbraw/zinc/53/55/63/496535563.db2.gz IOIVRKYFQHQPTR-UTKZUKDTSA-N 2 0 351.494 3.235 20 0 FGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+][C@H](C)CCn2cccn2)CC1 ZINC000157744883 496543392 /nfs/dbraw/zinc/54/33/92/496543392.db2.gz QGFVVLVOPLMPTL-QZTJIDSGSA-N 2 0 373.520 3.294 20 0 FGADRP C[C@@H]1CCC[N@H+](CCNC(=O)N(Cc2ccccc2)C2CC[NH+](C)CC2)C1 ZINC000175782581 496543705 /nfs/dbraw/zinc/54/37/05/496543705.db2.gz DSMWSFNFOOLEBH-LJQANCHMSA-N 2 0 372.557 3.024 20 0 FGADRP CC[NH+](CC)[C@@H]1CCN(C(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000164277288 496600757 /nfs/dbraw/zinc/60/07/57/496600757.db2.gz KMHHWKXGJOQQMG-HXUWFJFHSA-N 2 0 357.542 3.231 20 0 FGADRP Cc1cccnc1[C@H]([NH2+]CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)C(C)C ZINC000184984971 496611911 /nfs/dbraw/zinc/61/19/11/496611911.db2.gz KHGVPWNBVLAHBJ-PZJWPPBQSA-N 2 0 368.525 3.096 20 0 FGADRP C[C@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000158110541 496628900 /nfs/dbraw/zinc/62/89/00/496628900.db2.gz SUCZGGPPRIMPOF-ZIAGYGMSSA-N 2 0 357.420 3.354 20 0 FGADRP C[C@H](C[NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1)C[NH+]1CCCC1 ZINC000165266541 496653416 /nfs/dbraw/zinc/65/34/16/496653416.db2.gz ONQALEPZSWFUJP-MRXNPFEDSA-N 2 0 363.933 3.266 20 0 FGADRP COc1ccc([C@H](CN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)[NH+]2CCCCC2)cc1 ZINC000165969486 496674453 /nfs/dbraw/zinc/67/44/53/496674453.db2.gz FFEJLGMDGBTYBZ-VWPQPMDRSA-N 2 0 357.542 3.439 20 0 FGADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]C1CCN(Cc2ccc(F)c(F)c2)CC1 ZINC000166168459 496678058 /nfs/dbraw/zinc/67/80/58/496678058.db2.gz BNRNUWXKVZSLDK-SIFCLUCFSA-N 2 0 351.485 3.248 20 0 FGADRP CC[NH+](CC)[C@H]1CCN(C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)C1 ZINC000173415027 496682622 /nfs/dbraw/zinc/68/26/22/496682622.db2.gz YMWQKXTWOBPHPP-IRXDYDNUSA-N 2 0 364.559 3.011 20 0 FGADRP CC(C)CO[C@@H]1C[C@@H]([NH2+]Cc2ccccc2C[N@@H+]2CC[C@H](O)C2)C1(C)C ZINC000182258569 496721442 /nfs/dbraw/zinc/72/14/42/496721442.db2.gz GKMHBVQJGOYVIM-PWRODBHTSA-N 2 0 360.542 3.183 20 0 FGADRP COCCC(C)(C)C[NH2+]Cc1c(Cl)cccc1N1CC[NH+](C)CC1 ZINC000185284149 496724316 /nfs/dbraw/zinc/72/43/16/496724316.db2.gz ZELRGMYPEBISBF-UHFFFAOYSA-N 2 0 353.938 3.244 20 0 FGADRP CC(C)[NH+](CCNC(=O)N[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)C(C)C ZINC000182352384 496731012 /nfs/dbraw/zinc/73/10/12/496731012.db2.gz BNRDQUGKYKESNK-QZTJIDSGSA-N 2 0 352.567 3.057 20 0 FGADRP C[NH+](C)[C@@]1(CN[C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CCSC1 ZINC000580893250 505863020 /nfs/dbraw/zinc/86/30/20/505863020.db2.gz ZFYODAJTLKPZQE-PZJWPPBQSA-N 2 0 359.583 3.211 20 0 FGADRP COc1ccccc1[C@@H](CNC(=O)CC1CC[NH+](C)CC1)[NH+]1CCCCC1 ZINC000273217851 496742935 /nfs/dbraw/zinc/74/29/35/496742935.db2.gz ORROKRUCADHJTI-HXUWFJFHSA-N 2 0 373.541 3.070 20 0 FGADRP C[C@@H]1C[C@@H](NC(=O)[C@H](c2ccccc2)N(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000246999053 496747109 /nfs/dbraw/zinc/74/71/09/496747109.db2.gz KUEMRGBUEXXROX-COPCDDAFSA-N 2 0 365.521 3.459 20 0 FGADRP COc1ccc([C@H](CNC(=O)CC2CC[NH+](C)CC2)[NH+]2CCCCC2)cc1 ZINC000273232965 496747984 /nfs/dbraw/zinc/74/79/84/496747984.db2.gz RXHRANUMIBOWNN-NRFANRHFSA-N 2 0 373.541 3.070 20 0 FGADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)NCCCC[NH+]2C[C@@H](C)C[C@H](C)C2)C1 ZINC000247003866 496748445 /nfs/dbraw/zinc/74/84/45/496748445.db2.gz GXNMOTKQJANWMV-SLFFLAALSA-N 2 0 366.594 3.022 20 0 FGADRP CCC[NH+]1CCC(CNC(=O)NCc2ccccc2C[NH+]2CCCC2)CC1 ZINC000194938290 496766701 /nfs/dbraw/zinc/76/67/01/496766701.db2.gz AWDPQKXIRHOWMZ-UHFFFAOYSA-N 2 0 372.557 3.204 20 0 FGADRP CCC[NH+]1CCC(CNC(=O)NCc2cccc(C[NH+]3CCCC3)c2)CC1 ZINC000194940466 496768340 /nfs/dbraw/zinc/76/83/40/496768340.db2.gz VWRICQQSAJEKCM-UHFFFAOYSA-N 2 0 372.557 3.204 20 0 FGADRP C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)CN(C)Cc2ccccc2)C1 ZINC000247077708 496771831 /nfs/dbraw/zinc/77/18/31/496771831.db2.gz VNZZWXQCRYHKES-PZJWPPBQSA-N 2 0 357.542 3.231 20 0 FGADRP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000247156669 496794090 /nfs/dbraw/zinc/79/40/90/496794090.db2.gz TYJXLLRORKNTAO-IAGOWNOFSA-N 2 0 352.544 3.253 20 0 FGADRP Cc1nccn1CCC[NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000268837848 496799352 /nfs/dbraw/zinc/79/93/52/496799352.db2.gz HFTIIKNLOPFVMX-UHFFFAOYSA-N 2 0 360.889 3.129 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1N[C@@H]1CC[NH+](CC2CCCC2)C1 ZINC000247234525 496811605 /nfs/dbraw/zinc/81/16/05/496811605.db2.gz XEJPTVLDWGEVIM-STZQEDGTSA-N 2 0 356.558 3.146 20 0 FGADRP Cc1cc(Br)cn2cc(CC[NH2+][C@@H]3CC[N@H+](C)[C@@H](C)C3)nc12 ZINC000273492679 496821772 /nfs/dbraw/zinc/82/17/72/496821772.db2.gz XDVNDQODGWXBFI-DZGCQCFKSA-N 2 0 365.319 3.020 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCC[NH+](Cc3ccccc3)C2)[C@@H](C)C1 ZINC000247280397 496822831 /nfs/dbraw/zinc/82/28/31/496822831.db2.gz FWXRBGBGOLUCLN-JBACZVJFSA-N 2 0 357.542 3.087 20 0 FGADRP C[C@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1ccc(SCC(F)(F)F)cc1 ZINC000268996086 496844389 /nfs/dbraw/zinc/84/43/89/496844389.db2.gz NSMQOCYVUHORML-ZDUSSCGKSA-N 2 0 362.461 3.448 20 0 FGADRP CN(c1ccccc1C[NH2+][C@@H]1CCOC2(CCC2)C1)C1CC[NH+](C)CC1 ZINC000268996294 496844958 /nfs/dbraw/zinc/84/49/58/496844958.db2.gz XSALJAXRLJSYMO-LJQANCHMSA-N 2 0 357.542 3.408 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)N(C)[C@H](C)C1CC[NH+](C)CC1)c1ccco1 ZINC000273580820 496846119 /nfs/dbraw/zinc/84/61/19/496846119.db2.gz KDFCAZLYWWSMFG-AEFFLSMTSA-N 2 0 364.534 3.034 20 0 FGADRP CC[NH+](CC)CCC[C@@H](C)NC(=O)c1ccc2c(ccn2CCC[NH3+])c1 ZINC000269244661 496903366 /nfs/dbraw/zinc/90/33/66/496903366.db2.gz OTWJBZIKPHLAHW-QGZVFWFLSA-N 2 0 358.530 3.230 20 0 FGADRP C[C@@H](C(=O)Nc1ccc(N2CCC[N@H+](C)CC2)cc1)[C@@H]([NH3+])c1ccccc1 ZINC000269308783 496916217 /nfs/dbraw/zinc/91/62/17/496916217.db2.gz VPHVIFUWSDJPDI-DYESRHJHSA-N 2 0 366.509 3.103 20 0 FGADRP C[N@@H+]1CC[C@@H](NC(=O)NCCC[NH2+]C2CCCCC2)[C@H]1c1ccccc1 ZINC000247964223 496933441 /nfs/dbraw/zinc/93/34/41/496933441.db2.gz DKMMZSRHXKSLRP-WOJBJXKFSA-N 2 0 358.530 3.043 20 0 FGADRP CCc1nc(CN2CCC(C[NH2+][C@@H]3C[C@@H](C)[N@H+](C)C[C@H]3C)CC2)cs1 ZINC000248127641 496958492 /nfs/dbraw/zinc/95/84/92/496958492.db2.gz OCICMPDKYJMKIE-GPMSIDNRSA-N 2 0 364.603 3.236 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)[C@H]1CCC[NH+]1Cc1ccccc1 ZINC000248127603 496958592 /nfs/dbraw/zinc/95/85/92/496958592.db2.gz XIJSQOISOOJIJO-TZIWHRDSSA-N 2 0 357.542 3.422 20 0 FGADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H](C)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000248132126 496959167 /nfs/dbraw/zinc/95/91/67/496959167.db2.gz OPCFYIGCIXEPKY-KFWWJZLASA-N 2 0 374.356 3.375 20 0 FGADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](C)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000248132121 496959178 /nfs/dbraw/zinc/95/91/78/496959178.db2.gz OPCFYIGCIXEPKY-ILXRZTDVSA-N 2 0 374.356 3.375 20 0 FGADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@@H]3CCCCN3Cc3ccc(F)cc3)CC[C@H]21 ZINC000248163812 496966879 /nfs/dbraw/zinc/96/68/79/496966879.db2.gz SPEPYVMIKCFLEO-NRSPTQNISA-N 2 0 373.516 3.123 20 0 FGADRP c1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH2+]CCCOC[C@H]4CCOC4)[C@@H]3C2)cc1 ZINC000248403324 496998955 /nfs/dbraw/zinc/99/89/55/496998955.db2.gz OMNAKIGIJQXZPK-ACESQOTJSA-N 2 0 372.553 3.320 20 0 FGADRP C[N@@H+]1CCC[C@H]2C[NH+](CCOc3ccc(Br)cc3)CC[C@H]21 ZINC000227344096 497088604 /nfs/dbraw/zinc/08/86/04/497088604.db2.gz COJAKINEJSVCGE-WMLDXEAASA-N 2 0 353.304 3.244 20 0 FGADRP C[NH+]1CCC([C@@H]2CCN(C(=O)C3CC[NH+](Cc4ccccc4)CC3)C2)CC1 ZINC000270272423 497091102 /nfs/dbraw/zinc/09/11/02/497091102.db2.gz UATBVEMVXNRODN-JOCHJYFZSA-N 2 0 369.553 3.089 20 0 FGADRP CC[C@@H]([NH2+]CC1CC[NH+](C2CC2)CC1)c1ccccc1OCC(=O)N(C)C ZINC000278430205 497111052 /nfs/dbraw/zinc/11/10/52/497111052.db2.gz JKOPOHBINQQUQX-HXUWFJFHSA-N 2 0 373.541 3.069 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000248826262 497111421 /nfs/dbraw/zinc/11/14/21/497111421.db2.gz LYOYPMLDEKPKHI-VQIMIIECSA-N 2 0 372.557 3.115 20 0 FGADRP CC(C)(C[NH3+])C(=O)NCCC[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000236606287 497120506 /nfs/dbraw/zinc/12/05/06/497120506.db2.gz KRNXMOTZSGZRON-UHFFFAOYSA-N 2 0 353.510 3.180 20 0 FGADRP CC1CC[NH+]([C@@H](CNC(=O)[C@H](C[NH3+])c2ccccc2)c2ccccc2)CC1 ZINC000236653023 497127538 /nfs/dbraw/zinc/12/75/38/497127538.db2.gz MWHZQDNLASRFDM-YADHBBJMSA-N 2 0 365.521 3.318 20 0 FGADRP CC(C)(C)[C@H](C[N@@H+]1CCc2ccccc2C1)NC(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000236674273 497130773 /nfs/dbraw/zinc/13/07/73/497130773.db2.gz YDBKTVYSVCZGAI-RLLQIKCJSA-N 2 0 357.542 3.093 20 0 FGADRP CCC[NH+]1CCN(c2ccccc2C[NH2+]C[C@]2(C)CCCC[C@@H]2O)CC1 ZINC000236801987 497147712 /nfs/dbraw/zinc/14/77/12/497147712.db2.gz LOYGTDUZIJUKSU-VXKWHMMOSA-N 2 0 359.558 3.249 20 0 FGADRP COc1ccc(C[C@@H](C)C[N@@H+]2CCC[C@@H](CN3CCOCC3)C2)cc1F ZINC000249021794 497151813 /nfs/dbraw/zinc/15/18/13/497151813.db2.gz QUUFQNFJBUKVIU-MJGOQNOKSA-N 2 0 364.505 3.057 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)C[C@@H](C)C1CC[NH2+]CC1)Cc1ccccc1 ZINC000236823111 497152408 /nfs/dbraw/zinc/15/24/08/497152408.db2.gz XQIGJVDELGIVQX-WIYYLYMNSA-N 2 0 359.558 3.082 20 0 FGADRP COc1ccc([C@H](CNC2C[C@H]3CC[C@@H](C2)[N@H+]3C)[NH+]2CCCCC2)cc1 ZINC000192598855 497160388 /nfs/dbraw/zinc/16/03/88/497160388.db2.gz JQUXFWDQWXSOGS-GFSYIJCISA-N 2 0 357.542 3.437 20 0 FGADRP CC[NH+](CC)CCOc1cc(NC(=O)[C@H]([NH3+])c2ccccc2)ccc1OC ZINC000236878086 497161184 /nfs/dbraw/zinc/16/11/84/497161184.db2.gz RUPNCFPVUZSEGD-HXUWFJFHSA-N 2 0 371.481 3.054 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)C[C@H]([NH3+])c1ccccc1)Cc1ccccc1 ZINC000236877894 497161438 /nfs/dbraw/zinc/16/14/38/497161438.db2.gz GNXHXUCNGVTTCG-SFTDATJTSA-N 2 0 353.510 3.146 20 0 FGADRP COc1ccc2c(c1)[C@@H]([NH2+]CCCN1CCC[N@H+](C)CC1)CCCS2 ZINC000249213394 497181126 /nfs/dbraw/zinc/18/11/26/497181126.db2.gz ZBZNHJNVZDNPHZ-IBGZPJMESA-N 2 0 363.571 3.239 20 0 FGADRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]C[C@@H](O)Cc1ccccc1 ZINC000249281769 497185562 /nfs/dbraw/zinc/18/55/62/497185562.db2.gz KZKULHUHFXWAGW-JFSTXAPLSA-N 2 0 352.522 3.336 20 0 FGADRP COc1ccccc1[C@H](O)C[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274887393 497191453 /nfs/dbraw/zinc/19/14/53/497191453.db2.gz ITEXHGAKQHNKQE-HFSMHLIXSA-N 2 0 354.494 3.229 20 0 FGADRP CN(C(=O)C[C@@H]([NH3+])c1ccccc1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000237269541 497213718 /nfs/dbraw/zinc/21/37/18/497213718.db2.gz LWCJBEPKTDCGGA-NHCUHLMSSA-N 2 0 351.494 3.200 20 0 FGADRP CCC[C@@H]1CN(C(=O)C2CC[NH+](C3CC3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000192808966 497219675 /nfs/dbraw/zinc/21/96/75/497219675.db2.gz CMZRNXPWVRNOSG-JOCHJYFZSA-N 2 0 369.553 3.374 20 0 FGADRP C[C@H](C(=O)N1CCC[N@H+](CC2CCCCC2)CC1)[C@@H]([NH3+])c1ccccc1 ZINC000237411951 497233530 /nfs/dbraw/zinc/23/35/30/497233530.db2.gz XRQNXYHFOUZVRI-GHTZIAJQSA-N 2 0 357.542 3.437 20 0 FGADRP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@@H]2Cc3ccccc3C[NH2+]2)CC1 ZINC000237455553 497240036 /nfs/dbraw/zinc/24/00/36/497240036.db2.gz VODDTUVVUNVOMZ-VGSWGCGISA-N 2 0 363.505 3.043 20 0 FGADRP C[C@@H](CC(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1)C1CC[NH2+]CC1 ZINC000237469422 497241485 /nfs/dbraw/zinc/24/14/85/497241485.db2.gz RVTPSSBTLGXKGN-DLBZAZTESA-N 2 0 363.571 3.102 20 0 FGADRP C[C@H](CC(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1)[C@H]1CCC[NH2+]C1 ZINC000237473233 497242287 /nfs/dbraw/zinc/24/22/87/497242287.db2.gz WDAHXUXCTGIKTC-CABCVRRESA-N 2 0 367.921 3.245 20 0 FGADRP CN(C)C(=O)[C@@H]1CCC[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000278871412 497249976 /nfs/dbraw/zinc/24/99/76/497249976.db2.gz WZQXWRZQCVGUDI-YHINDDMVSA-N 2 0 369.553 3.419 20 0 FGADRP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)[C@@H]3CC34CC[NH2+]CC4)cc2)C1 ZINC000237602444 497262740 /nfs/dbraw/zinc/26/27/40/497262740.db2.gz SQSQOZJCTPZOJQ-OPYAIIAOSA-N 2 0 369.553 3.170 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)[C@@H]([NH3+])c2ccccc2)C1 ZINC000237685360 497276254 /nfs/dbraw/zinc/27/62/54/497276254.db2.gz DRRZGSFNKLBULT-SVMVAKDDSA-N 2 0 365.521 3.481 20 0 FGADRP C[N@H+](CC[C@H]1CCCC[NH+]1C)C[C@@H](O)COCc1ccccc1Cl ZINC000252480326 497301825 /nfs/dbraw/zinc/30/18/25/497301825.db2.gz AGWAWJFMOIBQAP-QZTJIDSGSA-N 2 0 354.922 3.024 20 0 FGADRP CC1(CNC(=O)NCc2ccccc2C[NH+]2CCCCCC2)CC[NH2+]CC1 ZINC000572136155 505898604 /nfs/dbraw/zinc/89/86/04/505898604.db2.gz LQZWNDWGSXRFKZ-UHFFFAOYSA-N 2 0 372.557 3.252 20 0 FGADRP [NH3+][C@@H](CCC(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1)c1ccccc1 ZINC000237939719 497317404 /nfs/dbraw/zinc/31/74/04/497317404.db2.gz PTWZJMKVEQKGBD-SFTDATJTSA-N 2 0 351.494 3.420 20 0 FGADRP [NH3+]C1(C(=O)N[C@@H]2CC[N@H+](Cc3ccc(C(F)(F)F)cc3)C2)CCCCC1 ZINC000237943602 497318082 /nfs/dbraw/zinc/31/80/82/497318082.db2.gz VCYISJJWRWWBNE-MRXNPFEDSA-N 2 0 369.431 3.058 20 0 FGADRP Oc1ccc(C[NH2+]CCCC[NH+]2CCN(Cc3ccccc3)CC2)cc1 ZINC000237965324 497320013 /nfs/dbraw/zinc/32/00/13/497320013.db2.gz SUEDBRICFYCPNU-UHFFFAOYSA-N 2 0 353.510 3.080 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000253191034 497324177 /nfs/dbraw/zinc/32/41/77/497324177.db2.gz UEIVISDIPPNGHN-MOPGFXCFSA-N 2 0 372.557 3.154 20 0 FGADRP O[C@H](CN[C@H]1CCCOc2ccc(F)cc21)C[N@@H+]1CCc2ccccc2C1 ZINC000253358996 497328418 /nfs/dbraw/zinc/32/84/18/497328418.db2.gz ZQJHMHSNMJXYOW-CTNGQTDRSA-N 2 0 370.468 3.048 20 0 FGADRP CC[NH+](CC)Cc1ccc(C(=O)NCC2(SC)CC[NH+](C)CC2)cc1 ZINC000569297979 505899469 /nfs/dbraw/zinc/89/94/69/505899469.db2.gz MJXOLKHCCQRNLE-UHFFFAOYSA-N 2 0 363.571 3.086 20 0 FGADRP [NH3+][C@H]1CCC[C@H](C(=O)NCC2CC[NH+](Cc3ccccc3Cl)CC2)C1 ZINC000238040501 497331201 /nfs/dbraw/zinc/33/12/01/497331201.db2.gz MDDXWVAGZAPZJL-WMZOPIPTSA-N 2 0 363.933 3.186 20 0 FGADRP C[NH+](C)CCc1ccccc1NC(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000275570298 497366915 /nfs/dbraw/zinc/36/69/15/497366915.db2.gz CJEQWRYDZVCXED-UHFFFAOYSA-N 2 0 358.530 3.273 20 0 FGADRP CC[NH+](CC)CCSCC(=O)N[C@@H](C[NH3+])c1ccc2ccccc2c1 ZINC000193407139 497372891 /nfs/dbraw/zinc/37/28/91/497372891.db2.gz DIVUQOSKHGTEJF-IBGZPJMESA-N 2 0 359.539 3.031 20 0 FGADRP COc1cc([C@H](C)[NH2+]C2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)ccc1SC ZINC000271548138 497379841 /nfs/dbraw/zinc/37/98/41/497379841.db2.gz UKOXEQHRPDPIBP-WBAXXEDZSA-N 2 0 364.555 3.446 20 0 FGADRP CC1(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)CC[NH+](Cc2ccccc2)CC1 ZINC000275607886 497380564 /nfs/dbraw/zinc/38/05/64/497380564.db2.gz FUZYLNJWLNMMBN-UXHICEINSA-N 2 0 355.526 3.032 20 0 FGADRP C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCCn3ccnc32)[C@@H]1c1cccs1 ZINC000245416618 497394310 /nfs/dbraw/zinc/39/43/10/497394310.db2.gz IPJXNIOSEKRZGD-HLLBOEOZSA-N 2 0 358.511 3.021 20 0 FGADRP CCC[N@H+](C)C[C@@H]1CCN(CC(=O)N[C@H](C)c2ccccc2Cl)C1 ZINC000245440536 497408781 /nfs/dbraw/zinc/40/87/81/497408781.db2.gz UPSNTKIHMGUXGS-CVEARBPZSA-N 2 0 351.922 3.181 20 0 FGADRP C[C@@H](CC(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1)[C@H]1CCC[NH2+]C1 ZINC000261608299 497418848 /nfs/dbraw/zinc/41/88/48/497418848.db2.gz RUXOTQHUUKJONV-ICSRJNTNSA-N 2 0 357.542 3.135 20 0 FGADRP C[N@H+]1C[C@@H]2C[NH+](CCC(=O)Nc3ccccc3Oc3ccccc3)C[C@@H]2C1 ZINC000193610297 497426976 /nfs/dbraw/zinc/42/69/76/497426976.db2.gz BDOWGAMHJVBTQG-HDICACEKSA-N 2 0 365.477 3.301 20 0 FGADRP CC(C)(C)c1ccc(C[N@@H+]2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)cc1 ZINC000261758320 497445649 /nfs/dbraw/zinc/44/56/49/497445649.db2.gz FQUKMYIFAUHTDG-UYAOXDASSA-N 2 0 357.542 3.064 20 0 FGADRP C[NH+](C)[C@H](CNC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1)c1cccs1 ZINC000245623158 497478018 /nfs/dbraw/zinc/47/80/18/497478018.db2.gz FRBGWIITSOFYPC-LMMKCTJWSA-N 2 0 372.538 3.095 20 0 FGADRP C[NH2+]CCC1CC[NH+](CC(=O)N(C)[C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000261972224 497484841 /nfs/dbraw/zinc/48/48/41/497484841.db2.gz DNNMNXICDDYXKQ-HNNXBMFYSA-N 2 0 351.922 3.181 20 0 FGADRP CCOc1ccc([C@H]2CCCN2C(=O)C[NH+]2CCC(CC[NH2+]C)CC2)cc1 ZINC000262007660 497491321 /nfs/dbraw/zinc/49/13/21/497491321.db2.gz SBOBLAGCZPRFLC-OAQYLSRUSA-N 2 0 373.541 3.070 20 0 FGADRP COCCC[NH+]1CCC(N[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC000245681728 497499950 /nfs/dbraw/zinc/49/99/50/497499950.db2.gz JADJUNCHMAJPTJ-NUNAXRQHSA-N 2 0 371.569 3.273 20 0 FGADRP O=C(CC[N@H+]1CCCC[C@H]1c1ccccc1C(F)(F)F)N1CC[NH2+]CC1 ZINC000262120712 497511701 /nfs/dbraw/zinc/51/17/01/497511701.db2.gz NIUZBCUDVBSPQL-KRWDZBQOSA-N 2 0 369.431 3.054 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N(C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000267313315 497524166 /nfs/dbraw/zinc/52/41/66/497524166.db2.gz CJTJLPGKZAUEFL-JYRKZWEQSA-N 2 0 372.557 3.021 20 0 FGADRP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)[C@H]([NH3+])Cc1ccccc1 ZINC000262219358 497526035 /nfs/dbraw/zinc/52/60/35/497526035.db2.gz ZNKVJGPEDPEMLN-PGRDOPGGSA-N 2 0 365.521 3.247 20 0 FGADRP CC[NH+]1CCN(CCC[NH2+][C@@H]2CCc3ccc(Br)cc32)CC1 ZINC000193974383 497537242 /nfs/dbraw/zinc/53/72/42/497537242.db2.gz QYKUXPURLVUXOS-GOSISDBHSA-N 2 0 366.347 3.054 20 0 FGADRP CCO[C@@H]1C[C@H]([NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)C1(CC)CC ZINC000245820981 497544812 /nfs/dbraw/zinc/54/48/12/497544812.db2.gz ABVIBHLLDBRTEZ-ZGXWSNOMSA-N 2 0 352.563 3.328 20 0 FGADRP C[C@@H]([NH2+]C[C@H](C)CN1CC[NH+](C)CC1)c1cc(Br)cs1 ZINC000194024593 497551774 /nfs/dbraw/zinc/55/17/74/497551774.db2.gz GKRFPCFKIQLMAX-QWHCGFSZSA-N 2 0 360.365 3.045 20 0 FGADRP OC1CC[NH+](Cc2ccc(C[NH2+][C@H]3[C@H]4CCO[C@H]4C34CCCC4)cc2)CC1 ZINC000194030178 497552481 /nfs/dbraw/zinc/55/24/81/497552481.db2.gz RLWMDTLXLGEELY-BHIFYINESA-N 2 0 370.537 3.081 20 0 FGADRP C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)CN(Cc2ccccc2)Cc2ccccc2)C1 ZINC000262597441 497580126 /nfs/dbraw/zinc/58/01/26/497580126.db2.gz VRMCHCXFJAQNSI-DENIHFKCSA-N 2 0 365.521 3.275 20 0 FGADRP C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)COc2ccc(-c3ccccc3)cc2)CC[N@@H+]1C ZINC000581126893 505915597 /nfs/dbraw/zinc/91/55/97/505915597.db2.gz FICFYIWAAPHXKR-JRGCBEDISA-N 2 0 354.494 3.166 20 0 FGADRP Cc1ccc([C@@H]([NH3+])C(=O)NCC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000262603573 497581345 /nfs/dbraw/zinc/58/13/45/497581345.db2.gz AIPVGAJIOCIZQT-OAQYLSRUSA-N 2 0 351.494 3.023 20 0 FGADRP C[C@@H]1C[C@H](NC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[N@@H+]1Cc1ccccc1 ZINC000262631502 497587072 /nfs/dbraw/zinc/58/70/72/497587072.db2.gz FLCPAVBBKZZZER-ZMWHVPEISA-N 2 0 355.526 3.076 20 0 FGADRP C[C@@H](C(=O)Nc1ccccc1NC1CC[NH+](C)CC1)[C@H]([NH3+])c1ccccc1 ZINC000262644801 497589470 /nfs/dbraw/zinc/58/94/70/497589470.db2.gz NEKRLOBZYJXFNF-IERDGZPVSA-N 2 0 366.509 3.467 20 0 FGADRP C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)CC[N@@H+]1Cc1ccccc1 ZINC000262646419 497591301 /nfs/dbraw/zinc/59/13/01/497591301.db2.gz OHKAUDZTXLFGCK-WLRLJWMZSA-N 2 0 355.526 3.030 20 0 FGADRP Cc1ccc([C@H]([NH3+])C(=O)NC2CC[NH+](Cc3ccccc3C)CC2)cc1 ZINC000262676285 497596826 /nfs/dbraw/zinc/59/68/26/497596826.db2.gz UFJPGYMXPZKKAE-NRFANRHFSA-N 2 0 351.494 3.084 20 0 FGADRP C[C@@H](CC[NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1)c1ccccc1 ZINC000194367138 497644970 /nfs/dbraw/zinc/64/49/70/497644970.db2.gz VQQABOKOXWBWPR-SFHVURJKSA-N 2 0 353.510 3.261 20 0 FGADRP Cc1ccc([C@H]([NH2+]CCCC[NH+](C)C)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000272522220 497650579 /nfs/dbraw/zinc/65/05/79/497650579.db2.gz YJFLRZOXEATOIE-NRFANRHFSA-N 2 0 374.550 3.419 20 0 FGADRP CCN(C)c1ccc(C[NH2+]C[C@@H]2CC[N@H+](CCc3ccccc3)C2)cn1 ZINC000190948538 497656826 /nfs/dbraw/zinc/65/68/26/497656826.db2.gz YJGOLCWGDUKJMV-NRFANRHFSA-N 2 0 352.526 3.192 20 0 FGADRP O=C(NCCC[NH2+]C1CCCCC1)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000194436213 497667013 /nfs/dbraw/zinc/66/70/13/497667013.db2.gz IHJHGEZGMZHOSH-HXUWFJFHSA-N 2 0 372.557 3.120 20 0 FGADRP CCC[N@H+](C)C[C@@H]1CCN([C@@H](C)C(=O)N2c3ccccc3CC[C@H]2C)C1 ZINC000246232684 497669794 /nfs/dbraw/zinc/66/97/94/497669794.db2.gz QKSANHOUPMHWOI-QYZOEREBSA-N 2 0 357.542 3.407 20 0 FGADRP Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)[C@](C)([NH3+])c1ccccc1 ZINC000262979564 497672381 /nfs/dbraw/zinc/67/23/81/497672381.db2.gz YNICPLLPPSNNHW-OAQYLSRUSA-N 2 0 369.534 3.356 20 0 FGADRP CC1=CCC[C@H](C)[C@H]1C[NH+]1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000191057383 497696056 /nfs/dbraw/zinc/69/60/56/497696056.db2.gz OMBAUARHXTZOMC-ICSRJNTNSA-N 2 0 363.590 3.395 20 0 FGADRP CC[N@H+](C)Cc1cccc(CNC(=O)N(C)[C@@H]2CC[NH+](CC)C[C@@H]2C)c1 ZINC000246346771 497703798 /nfs/dbraw/zinc/70/37/98/497703798.db2.gz FGQCDWAIPHPQOU-FXAWDEMLSA-N 2 0 360.546 3.010 20 0 FGADRP COC(=O)c1csc(-c2cccc(C[NH2+][C@@H]3CC[N@H+](C)[C@H](C)C3)c2)n1 ZINC000276979259 497706161 /nfs/dbraw/zinc/70/61/61/497706161.db2.gz YZMJPLWHCCUQKN-CZUORRHYSA-N 2 0 359.495 3.169 20 0 FGADRP CCNC(=O)c1cccc(C[NH2+][C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000272704253 497708042 /nfs/dbraw/zinc/70/80/42/497708042.db2.gz ZVHVAFRUBWKGRW-GCJKJVERSA-N 2 0 365.521 3.437 20 0 FGADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000246411488 497725299 /nfs/dbraw/zinc/72/52/99/497725299.db2.gz FFRNQGNKPPUMRO-SESVDKBCSA-N 2 0 372.557 3.023 20 0 FGADRP CC(C)N(C(=O)CN1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)c1ccccc1 ZINC000246414088 497725472 /nfs/dbraw/zinc/72/54/72/497725472.db2.gz BROPXZGVKKOKFT-RXVVDRJESA-N 2 0 355.526 3.377 20 0 FGADRP C[C@@H](NC(=O)NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1)C(C)(C)C[NH+](C)C ZINC000246425064 497730112 /nfs/dbraw/zinc/73/01/12/497730112.db2.gz VYCXJOFDQDKYGN-KZNAEPCWSA-N 2 0 354.583 3.020 20 0 FGADRP C[C@H]1CCC[N@H+](CCCCNC(=O)N2CCC[C@H]2C[NH+]2CCCCC2)C1 ZINC000246438660 497734419 /nfs/dbraw/zinc/73/44/19/497734419.db2.gz NSGDMPJWBDHUGM-PMACEKPBSA-N 2 0 364.578 3.158 20 0 FGADRP CCN(CC1CCN(c2ccccn2)CC1)C(=O)[C@H]1CCCC[C@@]1(C)[NH3+] ZINC000263237894 497739375 /nfs/dbraw/zinc/73/93/75/497739375.db2.gz OHDKDCFKKXMRAB-WIYYLYMNSA-N 2 0 358.530 3.054 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)[C@H]1CCCC[C@]1(C)[NH3+])c1cccc(OC)c1 ZINC000263262183 497743989 /nfs/dbraw/zinc/74/39/89/497743989.db2.gz RCEQPADPNANEHG-SBHAEUEKSA-N 2 0 361.530 3.102 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)[C@@H](C)C1 ZINC000246503580 497755986 /nfs/dbraw/zinc/75/59/86/497755986.db2.gz SSZNSNGFPHGYGN-RXVVDRJESA-N 2 0 372.557 3.154 20 0 FGADRP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@H](C)[NH+](C)C1CC1 ZINC000246514653 497759384 /nfs/dbraw/zinc/75/93/84/497759384.db2.gz XEMWTYFLWUBNHA-AZUAARDMSA-N 2 0 372.557 3.023 20 0 FGADRP CC1CC[NH+](CCNC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000246540653 497767555 /nfs/dbraw/zinc/76/75/55/497767555.db2.gz QDZDBYYKBYQCGA-PZJWPPBQSA-N 2 0 372.557 3.071 20 0 FGADRP CC[NH+](CC)[C@@H]1CCN(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000246581269 497781541 /nfs/dbraw/zinc/78/15/41/497781541.db2.gz UCMAJBYDBPSIPQ-SESVDKBCSA-N 2 0 372.557 3.165 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)c2csc(CC[NH3+])n2)cc1 ZINC000194827518 497783824 /nfs/dbraw/zinc/78/38/24/497783824.db2.gz DNYVORRISYTMCT-CQSZACIVSA-N 2 0 358.511 3.271 20 0 FGADRP C[C@H]([NH2+]C(C)(C)CNC(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1)c1ccccc1 ZINC000246840131 497815567 /nfs/dbraw/zinc/81/55/67/497815567.db2.gz BQKWBNHHQPMSSM-QXAKKESOSA-N 2 0 360.546 3.288 20 0 FGADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000246846214 497815898 /nfs/dbraw/zinc/81/58/98/497815898.db2.gz BVWMKNFTBAUHQP-JJIJKTDDSA-N 2 0 351.535 3.235 20 0 FGADRP CC1CC[NH+](C2CCC(NC(=O)Nc3ccc(OCC[NH3+])cc3)CC2)CC1 ZINC000569497736 505948869 /nfs/dbraw/zinc/94/88/69/505948869.db2.gz QYDDVSLSCCOESE-UHFFFAOYSA-N 2 0 374.529 3.189 20 0 FGADRP C[NH+](C)CCNC(=O)c1cccc(CNc2cc[nH+]c3cc(F)ccc23)c1 ZINC000301240702 498015600 /nfs/dbraw/zinc/01/56/00/498015600.db2.gz GAEPSCDQEIYIRS-UHFFFAOYSA-N 2 0 366.440 3.277 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC000285257375 498035192 /nfs/dbraw/zinc/03/51/92/498035192.db2.gz LXPHBBCHGFQCMJ-QGZVFWFLSA-N 2 0 354.498 3.451 20 0 FGADRP NC1(C[NH2+]Cc2cnc(C3CC3)s2)CC[NH+](Cc2ccccc2)CC1 ZINC000569573034 505968306 /nfs/dbraw/zinc/96/83/06/505968306.db2.gz OXYJREKSIPURMK-UHFFFAOYSA-N 2 0 356.539 3.104 20 0 FGADRP O[C@@H]1CC[N@H+](Cc2ccccc2C[NH2+][C@@H]2CCCc3nc(Cl)ccc32)C1 ZINC000296487755 498063064 /nfs/dbraw/zinc/06/30/64/498063064.db2.gz PKSQSEMZLGSIRZ-IEBWSBKVSA-N 2 0 371.912 3.469 20 0 FGADRP CN(CC(=O)Nc1ccc(SC(F)F)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285370182 498064653 /nfs/dbraw/zinc/06/46/53/498064653.db2.gz CAFNEZZIIWNNDW-YIONKMFJSA-N 2 0 369.481 3.497 20 0 FGADRP C[C@H]1C[C@H]([NH2+]Cc2cccc(C(=O)NCC[NH+](C)C)c2)c2ccccc21 ZINC000289247763 498076918 /nfs/dbraw/zinc/07/69/18/498076918.db2.gz NFXKASMPJOTDRS-KKSFZXQISA-N 2 0 351.494 3.316 20 0 FGADRP COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+]CC2CC[NH+](CCN(C)C)CC2)cc1 ZINC000578592920 505974987 /nfs/dbraw/zinc/97/49/87/505974987.db2.gz QPAPVILRRDTPJC-MTNREXPMSA-N 2 0 359.558 3.050 20 0 FGADRP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)Nc2cccc3c2CC[NH2+]C3)C1 ZINC000572464971 505975134 /nfs/dbraw/zinc/97/51/34/505975134.db2.gz VUPILOQFXCPOGK-HZPDHXFCSA-N 2 0 358.530 3.210 20 0 FGADRP COCCOCc1ccc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000289262384 498083083 /nfs/dbraw/zinc/08/30/83/498083083.db2.gz MUPIFWMUHCXNFB-UNMCSNQZSA-N 2 0 358.526 3.298 20 0 FGADRP C[N@H+](C[C@@H](O)COc1cccc2ccccc21)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285495205 498106696 /nfs/dbraw/zinc/10/66/96/498106696.db2.gz MHXOVVPGXIYDAI-JIRNRHONSA-N 2 0 354.494 3.137 20 0 FGADRP CC(C)c1ccc([C@@H]([NH3+])CNC(=O)N2CC[N@@H+]([C@@H]3C[C@@H]3C)C[C@H](C)C2)cc1 ZINC000581419209 505984439 /nfs/dbraw/zinc/98/44/39/505984439.db2.gz NTGHGVPRCCNGSH-IDPBPBMLSA-N 2 0 372.557 3.182 20 0 FGADRP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N[C@@]2(C)CC[NH+](Cc3ccccc3)C2)C1 ZINC000578633190 505985625 /nfs/dbraw/zinc/98/56/25/505985625.db2.gz GBYQOEROLRMUSX-UNMCSNQZSA-N 2 0 372.557 3.071 20 0 FGADRP Cc1cc(C[N@H+](C)CCCN2CC[NH+](C)CC2)ccc1Oc1cccnc1 ZINC000289521650 498178751 /nfs/dbraw/zinc/17/87/51/498178751.db2.gz VKCHJCLLGBJTMJ-UHFFFAOYSA-N 2 0 368.525 3.252 20 0 FGADRP CCC[C@H](Cc1ccccc1)[NH2+]C1C[C@H]2CC[C@@H](C1)N2CC(=O)N(C)C ZINC000285773468 498197044 /nfs/dbraw/zinc/19/70/44/498197044.db2.gz UEIIUUPCVVVCLL-WVVQBRDUSA-N 2 0 357.542 3.071 20 0 FGADRP COC(=O)c1cc2c(o1)c(OC)ccc2C[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000569693488 505995349 /nfs/dbraw/zinc/99/53/49/505995349.db2.gz OILITPWIXBYUKD-LSDHHAIUSA-N 2 0 372.465 3.050 20 0 FGADRP COc1cc2c(cc1F)CC[C@H]2[NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000281753482 498257785 /nfs/dbraw/zinc/25/77/85/498257785.db2.gz WAEKZFKSHXMFAI-WIYYLYMNSA-N 2 0 370.468 3.178 20 0 FGADRP O=C(NCCC[NH+]1CCCC1)C1CC[NH+](Cc2cc3ccccc3o2)CC1 ZINC000289835678 498315382 /nfs/dbraw/zinc/31/53/82/498315382.db2.gz PCBNCDUOUHQQFN-UHFFFAOYSA-N 2 0 369.509 3.247 20 0 FGADRP OC[C@]1(C[NH2+]C2CCN(CCC(F)(F)F)CC2)C[C@@H]1c1ccccc1 ZINC000289959587 498369644 /nfs/dbraw/zinc/36/96/44/498369644.db2.gz WWIHOLFDHRJRGH-QZTJIDSGSA-N 2 0 356.432 3.159 20 0 FGADRP CC(C)C(=O)N1CCC([NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000289984599 498381653 /nfs/dbraw/zinc/38/16/53/498381653.db2.gz YATSNUPKWJSSTL-ILWGZMRPSA-N 2 0 369.553 3.134 20 0 FGADRP CCc1ccc(CN2CCN(C(=O)c3ccn4c(C)cnc4c3)CC2)s1 ZINC000569823532 506024874 /nfs/dbraw/zinc/02/48/74/506024874.db2.gz NHJSAPLFNKZGOB-UHFFFAOYSA-N 2 0 368.506 3.225 20 0 FGADRP Cc1cnn(C2CC[NH+](CCC[NH+]3CCC(n4cc(C)cn4)CC3)CC2)c1 ZINC000365388759 498438782 /nfs/dbraw/zinc/43/87/82/498438782.db2.gz HNDYWNYISZOHBE-UHFFFAOYSA-N 2 0 370.545 3.061 20 0 FGADRP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)NC2CC([NH+]3CCCCC3)C2)C1 ZINC000365433042 498465011 /nfs/dbraw/zinc/46/50/11/498465011.db2.gz WNMHJIVSBRLHRM-UVHRUJRTSA-N 2 0 364.578 3.061 20 0 FGADRP C[C@H](C(=O)N1CCC[C@H]1c1cccs1)[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000578868017 506040892 /nfs/dbraw/zinc/04/08/92/506040892.db2.gz LUXMCAFQZPJEMF-NJAFHUGGSA-N 2 0 361.555 3.122 20 0 FGADRP C[C@@H]([NH2+]CCCCC[NH+]1CCCC1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000293774341 498484955 /nfs/dbraw/zinc/48/49/55/498484955.db2.gz SLXUTILJEIBMFY-OAHLLOKOSA-N 2 0 356.507 3.146 20 0 FGADRP CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1cc[nH+]c2cc(F)ccc21 ZINC000302440728 498485434 /nfs/dbraw/zinc/48/54/34/498485434.db2.gz NBOBCILTPWDUGA-JOCHJYFZSA-N 2 0 365.452 3.447 20 0 FGADRP COc1ccc([C@H](C)[NH2+]Cc2ccncc2OCCC[NH+](C)C)cc1OC ZINC000290317716 498506217 /nfs/dbraw/zinc/50/62/17/498506217.db2.gz OBUZIQOQVZLNCU-INIZCTEOSA-N 2 0 373.497 3.280 20 0 FGADRP COCCC[C@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)c1ccc(F)cc1 ZINC000282473362 498525287 /nfs/dbraw/zinc/52/52/87/498525287.db2.gz WLXMWZQAJXOMHX-PMACEKPBSA-N 2 0 352.494 3.120 20 0 FGADRP C[C@@H](c1nc2ccccc2s1)[C@H](C)[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000282482399 498529946 /nfs/dbraw/zinc/52/99/46/498529946.db2.gz WXQXDOXALVWMPG-CVEARBPZSA-N 2 0 360.571 3.404 20 0 FGADRP C(CC[N@@H+]1CC[C@H](C2CCOCC2)C1)C[NH+]1CC[C@H](C2CCOCC2)C1 ZINC000362774563 498550982 /nfs/dbraw/zinc/55/09/82/498550982.db2.gz LMFHPMPXRUFXOB-VXKWHMMOSA-N 2 0 364.574 3.264 20 0 FGADRP CC(C)N1CC[NH+](C2CCN(Cc3ccnc(Cl)c3Cl)CC2)CC1 ZINC000290530211 498586471 /nfs/dbraw/zinc/58/64/71/498586471.db2.gz VFYILPLTPQWMLV-UHFFFAOYSA-N 2 0 371.356 3.379 20 0 FGADRP Cc1ccc2[nH]c3c(c2c1)CCC[C@@H]3[NH2+][C@@H](C)CCN1CC[NH+](C)CC1 ZINC000290543316 498591357 /nfs/dbraw/zinc/59/13/57/498591357.db2.gz ZZQBUJWJRCFVJE-UWJYYQICSA-N 2 0 354.542 3.469 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)NCC1(C)CC[NH2+]CC1 ZINC000572824152 506061278 /nfs/dbraw/zinc/06/12/78/506061278.db2.gz FTDXNWZDWCWJIW-GOSISDBHSA-N 2 0 372.557 3.250 20 0 FGADRP C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)NCCCC[NH+]1CCC(C)CC1 ZINC000302984600 498635868 /nfs/dbraw/zinc/63/58/68/498635868.db2.gz KGGCAMHHVLASAU-VAMGGRTRSA-N 2 0 366.594 3.164 20 0 FGADRP C[C@H]1[C@@H]([NH2+]C2CCN(CC(F)(F)F)CC2)CCN1Cc1ccccc1 ZINC000287131850 498642373 /nfs/dbraw/zinc/64/23/73/498642373.db2.gz ACNZLWMBLWVXRE-YJBOKZPZSA-N 2 0 355.448 3.266 20 0 FGADRP C[C@@H](CNC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1)C[NH+]1CCCCC1 ZINC000303064438 498645929 /nfs/dbraw/zinc/64/59/29/498645929.db2.gz YKNSLHFGPCKUPE-PZJWPPBQSA-N 2 0 357.542 3.137 20 0 FGADRP COc1ccc(C[NH+]2CCC(CNC(=[NH2+])N3CCC(C)CC3)CC2)cc1 ZINC000303254822 498657818 /nfs/dbraw/zinc/65/78/18/498657818.db2.gz FFKROUSGEOHOIQ-UHFFFAOYSA-N 2 0 358.530 3.163 20 0 FGADRP Cc1ccc(NC(=O)N2C[C@H]([NH+]3CCCC3)C[C@H]2C)c(OCC[NH+](C)C)c1 ZINC000287199758 498669869 /nfs/dbraw/zinc/66/98/69/498669869.db2.gz GEPWMGQKBMMDMF-QZTJIDSGSA-N 2 0 374.529 3.026 20 0 FGADRP Cn1cc(-c2ccc(C[NH+]3CCC(OCC[NH+]4CCCC4)CC3)s2)cn1 ZINC000282827173 498670869 /nfs/dbraw/zinc/67/08/69/498670869.db2.gz QALQEPQEEONHAQ-UHFFFAOYSA-N 2 0 374.554 3.225 20 0 FGADRP Cc1cc([C@H](C)[NH2+]CCc2ccc(OCC[NH+]3CCCC3)cc2)nn1C ZINC000282889362 498696832 /nfs/dbraw/zinc/69/68/32/498696832.db2.gz WDXPLUQCXBTHAH-SFHVURJKSA-N 2 0 356.514 3.096 20 0 FGADRP CC(C)Oc1cccc([C@@H](O)C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000298227940 498702323 /nfs/dbraw/zinc/70/23/23/498702323.db2.gz AZWMNHWDUSWNTQ-NRFANRHFSA-N 2 0 355.482 3.161 20 0 FGADRP CC(C)C[C@@H](NC(=O)C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1)c1ccccc1 ZINC000570045371 506076785 /nfs/dbraw/zinc/07/67/85/506076785.db2.gz BIOBNNRUDGBCRK-NHCUHLMSSA-N 2 0 357.542 3.212 20 0 FGADRP COc1ccccc1N1CCC([NH2+]C2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000298317611 498731086 /nfs/dbraw/zinc/73/10/86/498731086.db2.gz IDORXSBAGLHJHA-UHFFFAOYSA-N 2 0 366.509 3.318 20 0 FGADRP COc1ccc(C[NH2+][C@@H](C)Cn2ccnc2)cc1OCc1cccnc1 ZINC000298427990 498767810 /nfs/dbraw/zinc/76/78/10/498767810.db2.gz UULSBJXEYKEOHW-INIZCTEOSA-N 2 0 352.438 3.044 20 0 FGADRP C[C@H]([NH2+]CC1CC[NH2+]CC1)c1ccc(F)c(I)c1 ZINC000576146577 506087264 /nfs/dbraw/zinc/08/72/64/506087264.db2.gz RZGPHOVGIHCEFR-JTQLQIEISA-N 2 0 362.230 3.081 20 0 FGADRP C[C@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1ccc(N2CCOC2=O)cc1 ZINC000298528236 498802587 /nfs/dbraw/zinc/80/25/87/498802587.db2.gz RZNNQDSTEAUWHC-INIZCTEOSA-N 2 0 366.465 3.358 20 0 FGADRP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000581931425 506093289 /nfs/dbraw/zinc/09/32/89/506093289.db2.gz WEJFJNSEUAKLRZ-PXNSSMCTSA-N 2 0 374.529 3.285 20 0 FGADRP CC[NH+]1CCC(C[NH2+]C[C@@H](O)COc2ccc(Cl)c(Cl)c2)CC1 ZINC000321097953 498811130 /nfs/dbraw/zinc/81/11/30/498811130.db2.gz HKWRZIALRFYVNE-CQSZACIVSA-N 2 0 361.313 3.055 20 0 FGADRP CO[C@@H](CN1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1)c1ccc(Cl)cc1 ZINC000283221820 498821958 /nfs/dbraw/zinc/82/19/58/498821958.db2.gz SUOUCBHHSVEHSU-PMACEKPBSA-N 2 0 365.949 3.129 20 0 FGADRP CCC[N@H+](CC)Cc1ccc(C(=O)N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000576225603 506107310 /nfs/dbraw/zinc/10/73/10/506107310.db2.gz XZNYWRGEJJYJRT-LEWJYISDSA-N 2 0 357.542 3.380 20 0 FGADRP C[C@H]([NH2+]CCCN1CC[NH+](C)CC1)c1csc(-c2ccccc2F)n1 ZINC000291379973 498917495 /nfs/dbraw/zinc/91/74/95/498917495.db2.gz ZIQYDFLEFXTKPQ-HNNXBMFYSA-N 2 0 362.518 3.237 20 0 FGADRP O=C(c1ccc2c[nH+]cn2c1)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000288226197 498971219 /nfs/dbraw/zinc/97/12/19/498971219.db2.gz FAVGFULVRCCINJ-QFIPXVFZSA-N 2 0 360.461 3.073 20 0 FGADRP Cc1cn2c(n1)[C@@H](C[NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1)CCC2 ZINC000363754343 498976426 /nfs/dbraw/zinc/97/64/26/498976426.db2.gz BNTIMAJVLJUHHD-PKOBYXMFSA-N 2 0 356.514 3.360 20 0 FGADRP O=C(NCCC[NH+]1CCCC1)C1CC[NH+](Cc2ccc(Cl)s2)CC1 ZINC000299222795 498997713 /nfs/dbraw/zinc/99/77/13/498997713.db2.gz MUDHHRCRRGGMHZ-UHFFFAOYSA-N 2 0 369.962 3.216 20 0 FGADRP COc1cc(C[NH2+]CC2CC[NH+](Cc3ccccc3)CC2)cc(OC)c1O ZINC000299223296 498997962 /nfs/dbraw/zinc/99/79/62/498997962.db2.gz LUVRIIHXUAXAKQ-UHFFFAOYSA-N 2 0 370.493 3.411 20 0 FGADRP CC(C)Oc1ccc([C@@H](C)[NH2+]C[C@H](C)N2CC[NH+](C)CC2)cc1Cl ZINC000284216104 499070506 /nfs/dbraw/zinc/07/05/06/499070506.db2.gz HAYWLOGGIKTDQU-JKSUJKDBSA-N 2 0 353.938 3.414 20 0 FGADRP C[C@H]([NH2+]Cc1ccc(F)c(C[NH+](C)C)c1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000284267777 499079616 /nfs/dbraw/zinc/07/96/16/499079616.db2.gz WSCSGIFYWXYQRM-AWEZNQCLSA-N 2 0 365.493 3.232 20 0 FGADRP Cc1ccc2[nH]c([C@@H]3CCC[N@H+]3CCCN3CC[NH+](C(C)C)CC3)nc2c1 ZINC000295684338 499080150 /nfs/dbraw/zinc/08/01/50/499080150.db2.gz CQOZXKVCERIVBQ-NRFANRHFSA-N 2 0 369.557 3.424 20 0 FGADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+][C@H](CO)C[C@H](O)C(C)(C)C)CC1 ZINC000284353190 499094031 /nfs/dbraw/zinc/09/40/31/499094031.db2.gz YTCIDWGUUGEBCM-MAHYXTOZSA-N 2 0 362.558 3.177 20 0 FGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H]2CCC[C@H](c3ncccc3C)C2)CC1 ZINC000366967713 499124038 /nfs/dbraw/zinc/12/40/38/499124038.db2.gz ZSOICKMSVQHBQE-GIVPXCGWSA-N 2 0 358.574 3.279 20 0 FGADRP Cc1cc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2ccc(-n3ccnc3C)c(F)c2)on1 ZINC000364148808 499124085 /nfs/dbraw/zinc/12/40/85/499124085.db2.gz YSBSQKYWPYNFJW-STQMWFEESA-N 2 0 371.416 3.294 20 0 FGADRP CC(C)c1ccoc1C(=O)NCCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000367064742 499142471 /nfs/dbraw/zinc/14/24/71/499142471.db2.gz CSMYPSIPHJGBBQ-UHFFFAOYSA-N 2 0 361.530 3.329 20 0 FGADRP CN(CC[N@H+](C)Cc1ccc(F)cc1)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000372574844 499147824 /nfs/dbraw/zinc/14/78/24/499147824.db2.gz PJLREZYPWUUEPM-UNMCSNQZSA-N 2 0 370.516 3.277 20 0 FGADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]C[C@H]3CCC4(CCOCC4)[C@H]3O)CC2)C1 ZINC000367127698 499152135 /nfs/dbraw/zinc/15/21/35/499152135.db2.gz VCLPBKVCUMXWRD-QCFAMHMHSA-N 2 0 364.574 3.187 20 0 FGADRP COCCCn1nccc1C[NH2+]CC1CC[NH+](Cc2ccccc2F)CC1 ZINC000367233219 499165536 /nfs/dbraw/zinc/16/55/36/499165536.db2.gz XDOFZPITCDWXOS-UHFFFAOYSA-N 2 0 374.504 3.061 20 0 FGADRP C[N@H+](C[C@H]1CC12CC[NH+](C[C@@H](O)c1c(F)cccc1F)CC2)C1CC1 ZINC000367309535 499178263 /nfs/dbraw/zinc/17/82/63/499178263.db2.gz JMQJXNQTYUJAGD-RDTXWAMCSA-N 2 0 350.453 3.195 20 0 FGADRP c1nc2n(c1C[NH2+][C@@H]1CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]31)CCCC2 ZINC000367437859 499199011 /nfs/dbraw/zinc/19/90/11/499199011.db2.gz KADOQXTXINLRQF-SESVDKBCSA-N 2 0 350.510 3.220 20 0 FGADRP CCN1CCC([N@H+](C[C@H]2CCN(C(=O)c3ccccc3)C2)C2CC2)CC1 ZINC000370287515 499205903 /nfs/dbraw/zinc/20/59/03/499205903.db2.gz HFPQNUYTWWHRGT-SFHVURJKSA-N 2 0 355.526 3.097 20 0 FGADRP CCN1CCC([N@H+](C[C@@H]2CCN(C(=O)c3ccccc3)C2)C2CC2)CC1 ZINC000370287514 499206083 /nfs/dbraw/zinc/20/60/83/499206083.db2.gz HFPQNUYTWWHRGT-GOSISDBHSA-N 2 0 355.526 3.097 20 0 FGADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)Nc3ccc(CC[NH+]4CCCCC4)cc3)C[C@H]21 ZINC000367592828 499215988 /nfs/dbraw/zinc/21/59/88/499215988.db2.gz GWDGOQHNUYKWSF-TZIWHRDSSA-N 2 0 370.541 3.273 20 0 FGADRP Cc1nnc(N2CCC([NH2+][C@H](C)[C@@H]3CCC[N@@H+](C4CCC4)C3)CC2)s1 ZINC000367832126 499236907 /nfs/dbraw/zinc/23/69/07/499236907.db2.gz PFHHLFYCZYNQFA-GDBMZVCRSA-N 2 0 363.575 3.058 20 0 FGADRP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+]CCCC[NH+]1CCCC[C@@H]1C ZINC000370671806 499242649 /nfs/dbraw/zinc/24/26/49/499242649.db2.gz YMCVWXIPUQTMEJ-IVAOSVALSA-N 3 0 351.579 3.120 20 0 FGADRP CC(C)N1CCc2nc(C[N@H+]3CCCCC[C@H]3C[C@@H](C)O)sc2C1 ZINC000368037980 499258239 /nfs/dbraw/zinc/25/82/39/499258239.db2.gz OCVCTRCUIPFBEM-CVEARBPZSA-N 2 0 351.560 3.425 20 0 FGADRP O=C(c1ccc(C[NH+]2CCCC2)cc1)N1CCCN(c2ccccn2)CC1 ZINC000368189823 499272805 /nfs/dbraw/zinc/27/28/05/499272805.db2.gz RUAXZAUGZFAHRQ-UHFFFAOYSA-N 2 0 364.493 3.030 20 0 FGADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@H](C)CC[C@@H]2O)CC1 ZINC000368247492 499277871 /nfs/dbraw/zinc/27/78/71/499277871.db2.gz ZXYQSBKGIRVFAE-MBDNFAEBSA-N 2 0 365.606 3.054 20 0 FGADRP C[C@H](O)c1cnc(C[NH2+]CC2CC[NH+](CCc3ccccc3)CC2)s1 ZINC000368291315 499282418 /nfs/dbraw/zinc/28/24/18/499282418.db2.gz MZBDBMNRDJHHAS-INIZCTEOSA-N 2 0 359.539 3.241 20 0 FGADRP C[NH+](C)Cc1c2ccccc2oc1C(=O)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000371230377 499300304 /nfs/dbraw/zinc/30/03/04/499300304.db2.gz LVEMRSIVDKPLSR-MAUKXSAKSA-N 2 0 355.482 3.099 20 0 FGADRP O=C(CC1CC[NH2+]CC1)N1CCC[C@H]1[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000371270570 499304619 /nfs/dbraw/zinc/30/46/19/499304619.db2.gz GAPDDYBFGDUASW-RTWAWAEBSA-N 2 0 355.526 3.032 20 0 FGADRP CN(Cc1cnc(Cl)s1)C1CC[NH+](CCc2ccncc2)CC1 ZINC000371425347 499325195 /nfs/dbraw/zinc/32/51/95/499325195.db2.gz SAIZTBHIGPUOEP-UHFFFAOYSA-N 2 0 350.919 3.330 20 0 FGADRP CCC[NH+]1CCN(C2CC[NH+](CCCOCc3ccccc3)CC2)CC1 ZINC000371803236 499367079 /nfs/dbraw/zinc/36/70/79/499367079.db2.gz OOFBURDBIRBLCP-UHFFFAOYSA-N 2 0 359.558 3.085 20 0 FGADRP CCC[NH+]1CCN(C2CC[NH+](Cc3cc(F)cc4cccnc43)CC2)CC1 ZINC000369156649 499372168 /nfs/dbraw/zinc/37/21/68/499372168.db2.gz OXHXOIZIYPVPJZ-UHFFFAOYSA-N 2 0 370.516 3.366 20 0 FGADRP CN(C(=O)C1CC[NH+](Cc2ccc(Cl)s2)CC1)[C@H]1CCC[N@H+](C)C1 ZINC000371886692 499375732 /nfs/dbraw/zinc/37/57/32/499375732.db2.gz YEBJVKCPAFXBIB-HNNXBMFYSA-N 2 0 369.962 3.166 20 0 FGADRP C[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(N3CCCC3)nc2)[C@H]1c1ccccc1 ZINC000371927501 499380627 /nfs/dbraw/zinc/38/06/27/499380627.db2.gz PYISKMXZWJQZAQ-IFMALSPDSA-N 2 0 350.510 3.464 20 0 FGADRP CCn1nc(CNC2CC[NH+](CCc3ccncc3)CC2)c2ccccc21 ZINC000372113000 499400305 /nfs/dbraw/zinc/40/03/05/499400305.db2.gz MKMPRSLEDOOKGO-UHFFFAOYSA-N 2 0 363.509 3.248 20 0 FGADRP Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)C[C@H]1CCC[NH2+]CC1 ZINC000373516427 499474442 /nfs/dbraw/zinc/47/44/42/499474442.db2.gz OXZQYKMFEFRHOD-KRWDZBQOSA-N 2 0 361.555 3.262 20 0 FGADRP O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)c1cccn1C1CC[NH2+]CC1 ZINC000378212624 499490524 /nfs/dbraw/zinc/49/05/24/499490524.db2.gz VXMCNPSEEJHCBX-GOSISDBHSA-N 2 0 372.538 3.041 20 0 FGADRP C[C@@H]1C[N@H+](CC2CCC(C(F)(F)F)CC2)CCN1C1CC[NH+](C)CC1 ZINC000375217649 499496363 /nfs/dbraw/zinc/49/63/63/499496363.db2.gz ILNIFHZJYMFFKQ-KLAILNCOSA-N 2 0 361.496 3.455 20 0 FGADRP C[N@H+](C[C@@H]1CC12CCN(C(=O)[C@@H]1CC[NH+](C3CCCCC3)C1)CC2)C1CC1 ZINC000378354458 499506097 /nfs/dbraw/zinc/50/60/97/499506097.db2.gz JVUHVVKOAIJRTD-MOPGFXCFSA-N 2 0 373.585 3.364 20 0 FGADRP Cn1cc(-c2cc(CNC[C@H]3CCC[N@H+](C)[C@@H]3c3ccccc3)on2)cn1 ZINC000375450309 499520637 /nfs/dbraw/zinc/52/06/37/499520637.db2.gz XCCRYZCUUXCFNP-DYESRHJHSA-N 2 0 365.481 3.248 20 0 FGADRP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCC([C@H](O)c2ncc[nH]2)CC1 ZINC000375694677 499546108 /nfs/dbraw/zinc/54/61/08/499546108.db2.gz YYLMSPAAHOMCFS-FQEVSTJZSA-N 2 0 370.541 3.313 20 0 FGADRP Clc1ccc(OCC[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c(Br)c1 ZINC000386992391 499549651 /nfs/dbraw/zinc/54/96/51/499549651.db2.gz CNGAKBINZGGIGL-BETUJISGSA-N 2 0 373.722 3.413 20 0 FGADRP OC1(C[NH2+]Cc2ccc3ncccc3c2)CC[NH+](Cc2ccccc2)CC1 ZINC000397580496 499564305 /nfs/dbraw/zinc/56/43/05/499564305.db2.gz DVCVNGQFOVOGIT-UHFFFAOYSA-N 2 0 361.489 3.352 20 0 FGADRP C[C@@H](Cc1ccc(F)cc1)[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000397525378 499564326 /nfs/dbraw/zinc/56/43/26/499564326.db2.gz WJZPBEPEFCAIRZ-SFHVURJKSA-N 2 0 356.485 3.373 20 0 FGADRP CCO[C@@H]1C[C@@H]([NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)C12CCCC2 ZINC000397614878 499564624 /nfs/dbraw/zinc/56/46/24/499564624.db2.gz GOIUSWTUTHENID-NHCUHLMSSA-N 2 0 372.553 3.341 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000398005780 499565762 /nfs/dbraw/zinc/56/57/62/499565762.db2.gz QFCUZXPTFDEJTG-STZQEDGTSA-N 2 0 365.521 3.493 20 0 FGADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)CC1(C[NH3+])CCCCC1 ZINC000398062415 499566388 /nfs/dbraw/zinc/56/63/88/499566388.db2.gz MUBRXCRTUPZJKK-AZUAARDMSA-N 2 0 357.542 3.313 20 0 FGADRP COC(=O)c1ccc(C[NH2+][C@@]2(C)CCN(Cc3ccccc3)C2)cc1F ZINC000406051622 499571873 /nfs/dbraw/zinc/57/18/73/499571873.db2.gz HUNXEPLZJLXDOY-NRFANRHFSA-N 2 0 356.441 3.367 20 0 FGADRP C[C@H]1CN(C(=O)Nc2cccc3ccccc32)CCN1C1CC[NH+](C)CC1 ZINC000376213444 499591582 /nfs/dbraw/zinc/59/15/82/499591582.db2.gz YLXOPIWLYAXEMV-KRWDZBQOSA-N 2 0 366.509 3.472 20 0 FGADRP COc1cccc(-c2noc(CN[C@@H](C)[C@H]3CCC[N@@H+](C4CCC4)C3)n2)c1 ZINC000376305818 499599073 /nfs/dbraw/zinc/59/90/73/499599073.db2.gz KHSTVKCNQCXRKY-RDJZCZTQSA-N 2 0 370.497 3.488 20 0 FGADRP Cc1nc(CNC(=O)N[C@@H](C)[C@H](c2ccccc2)[NH+](C)C)c2n1CCCC2 ZINC000376886129 499643690 /nfs/dbraw/zinc/64/36/90/499643690.db2.gz GIILVCSITBHYIX-MGPUTAFESA-N 2 0 369.513 3.018 20 0 FGADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@@H](Cc2ccc(F)cc2)[C@@H]2COc3ccccc3O2)C1 ZINC000573266835 506157608 /nfs/dbraw/zinc/15/76/08/506157608.db2.gz QIRVABPCEZVUSS-GHDARCQNSA-N 2 0 370.468 3.436 20 0 FGADRP O=C(NC1CC[NH+](Cc2ccc(C[NH+]3CCCCC3)cc2)CC1)C1CC1 ZINC000411170516 499706162 /nfs/dbraw/zinc/70/61/62/499706162.db2.gz XKRJWFKLTHCXCN-UHFFFAOYSA-N 2 0 355.526 3.163 20 0 FGADRP CCO[C@H]1C[C@@H](O)C12CC[NH+](Cc1ccc(C[NH+]3CCCCC3)cc1)CC2 ZINC000411279720 499721110 /nfs/dbraw/zinc/72/11/10/499721110.db2.gz CJCWWZSDTCJGMO-YADHBBJMSA-N 2 0 372.553 3.424 20 0 FGADRP C[N@@H+]1CC[C@@H](C[NH2+]Cc2ccccc2N2CCOCC2)[C@@H]1c1ccccc1 ZINC000377764141 499730489 /nfs/dbraw/zinc/73/04/89/499730489.db2.gz SNQDWYSMPSIJRT-GMAHTHKFSA-N 2 0 365.521 3.306 20 0 FGADRP CCOC(=O)C[C@@H]1C[C@@H](OC)C[N@@H+]1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411561804 499763251 /nfs/dbraw/zinc/76/32/51/499763251.db2.gz RNAQQPVIHMLLDL-LEWJYISDSA-N 2 0 374.525 3.215 20 0 FGADRP C[NH+]1CCC(C[NH2+][C@@H]2CCCC[C@H]2c2ccccc2)(N2CCOCC2)CC1 ZINC000414199807 499767957 /nfs/dbraw/zinc/76/79/57/499767957.db2.gz RLEQLFSENOIBMS-FCHUYYIVSA-N 2 0 371.569 3.099 20 0 FGADRP Cc1ccc([C@@H]([NH2+]CC2(N3CCOCC3)CC[NH+](C)CC2)C2CCC2)cc1 ZINC000414199791 499768154 /nfs/dbraw/zinc/76/81/54/499768154.db2.gz RJVRMGPPZJCUBO-QFIPXVFZSA-N 2 0 371.569 3.222 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H](CO)c1ccc(F)cc1 ZINC000414313331 499776758 /nfs/dbraw/zinc/77/67/58/499776758.db2.gz OSXOQWPOIIIYTA-NQSCKRDGSA-N 2 0 356.485 3.402 20 0 FGADRP CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]Cc3cccc(C[NH+]4CCCCC4)c3)[C@H]2C1 ZINC000411740913 499785128 /nfs/dbraw/zinc/78/51/28/499785128.db2.gz ZANWJOFAVQCDKL-VABKMULXSA-N 2 0 369.553 3.409 20 0 FGADRP O[C@@H]1C[C@H]([C@H]2CCCOC2)[N@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000411779481 499789953 /nfs/dbraw/zinc/78/99/53/499789953.db2.gz CVSNTKMZHRGPHT-BHDDXSALSA-N 2 0 358.526 3.034 20 0 FGADRP Cc1cc(C)cc(C[NH2+]Cc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)c1 ZINC000414553735 499807702 /nfs/dbraw/zinc/80/77/02/499807702.db2.gz JRFZEDWBRBJWHZ-UHFFFAOYSA-N 2 0 365.521 3.291 20 0 FGADRP [NH3+]CC(=O)N1CCC[C@H](C[N@H+](Cc2ccccc2)Cc2ccc(F)cc2)C1 ZINC000414695840 499820912 /nfs/dbraw/zinc/82/09/12/499820912.db2.gz FPFFZUIVQHEECG-HXUWFJFHSA-N 2 0 369.484 3.025 20 0 FGADRP CC(C)([NH2+]C[C@H]1CCCN(C(=O)C[NH3+])C1)c1ccc(Cl)c(Cl)c1 ZINC000414709148 499821952 /nfs/dbraw/zinc/82/19/52/499821952.db2.gz ORSGGXCBUOMMPG-GFCCVEGCSA-N 2 0 358.313 3.015 20 0 FGADRP O=C(c1cccc(C[NH+]2CCCCC2)c1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000412117719 499824990 /nfs/dbraw/zinc/82/49/90/499824990.db2.gz DRRDJEGYKTZCBU-HXUWFJFHSA-N 2 0 355.526 3.230 20 0 FGADRP Cc1cc(Br)ccc1NC(=O)C[N@@H+](C)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414737967 499825206 /nfs/dbraw/zinc/82/52/06/499825206.db2.gz OREXHOWDKIAFLB-KBPBESRZSA-N 2 0 368.319 3.016 20 0 FGADRP C[C@@H]1C[C@H](C[NH+]2CCC([C@H]3C(=O)Nc4cc(Cl)ccc43)CC2)CC[NH2+]1 ZINC000414754780 499827173 /nfs/dbraw/zinc/82/71/73/499827173.db2.gz YKEFVPOJBUDAPY-PJIJBLCYSA-N 2 0 361.917 3.476 20 0 FGADRP CC[NH+](CC)CCOc1ccccc1NC(=O)NC[C@@H]1CCC[C@H]([NH3+])C1 ZINC000414778187 499829804 /nfs/dbraw/zinc/82/98/04/499829804.db2.gz GMRNTAFSYQVRMT-SJORKVTESA-N 2 0 362.518 3.046 20 0 FGADRP CCCCOc1cc(C[N@@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)ccc1OC ZINC000414785410 499831031 /nfs/dbraw/zinc/83/10/31/499831031.db2.gz JRKAJEFJXUIZHV-SFHVURJKSA-N 2 0 362.514 3.061 20 0 FGADRP C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000414798438 499832557 /nfs/dbraw/zinc/83/25/57/499832557.db2.gz JBSYKVSIQNSVIA-IOASZLSFSA-N 2 0 373.419 3.409 20 0 FGADRP COc1ccc(C(=O)Nc2cccc(C[NH2+]C[C@@H]3CCC[NH2+]C3)c2)cc1 ZINC000414822113 499834789 /nfs/dbraw/zinc/83/47/89/499834789.db2.gz CCJNBSNXJOYIFD-QGZVFWFLSA-N 2 0 353.466 3.037 20 0 FGADRP COc1cc(C[NH2+]CC[C@@H]2CC[NH2+]C2)cc(OC)c1OCc1ccccc1 ZINC000414836507 499835993 /nfs/dbraw/zinc/83/59/93/499835993.db2.gz SSJIWGTYEKTZDZ-KRWDZBQOSA-N 2 0 370.493 3.372 20 0 FGADRP COc1ccc(C(=O)Nc2cccc(C[NH2+][C@@H](C)[C@@H]3CCC[NH2+]C3)c2)cc1 ZINC000414865654 499839188 /nfs/dbraw/zinc/83/91/88/499839188.db2.gz ZKJYKRSWXDDYKC-QFBILLFUSA-N 2 0 367.493 3.425 20 0 FGADRP C[C@@H]1C[C@H](NCCC[NH2+]Cc2cccnc2)CC[N@@H+]1Cc1ccccc1 ZINC000414882916 499840982 /nfs/dbraw/zinc/84/09/82/499840982.db2.gz SNTZURXPEWJGKC-DENIHFKCSA-N 2 0 352.526 3.204 20 0 FGADRP C[C@@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+]CC1(C)CC[NH2+]CC1 ZINC000414897366 499842639 /nfs/dbraw/zinc/84/26/39/499842639.db2.gz DTSXQTZQQSADCJ-ZDUSSCGKSA-N 2 0 373.419 3.282 20 0 FGADRP O=C(c1ccc(Nc2cc[nH+]cc2)cc1)N1CCC[N@H+](CC2CCC2)CC1 ZINC000412304284 499842848 /nfs/dbraw/zinc/84/28/48/499842848.db2.gz ABLFUWUUWYSWLU-UHFFFAOYSA-N 2 0 364.493 3.195 20 0 FGADRP O=C(NC1CC([NH+]2CCCCC2)C1)c1cccc(C[NH+]2CCCCC2)c1 ZINC000412306388 499843258 /nfs/dbraw/zinc/84/32/58/499843258.db2.gz KQARGEMGVQXWTB-UHFFFAOYSA-N 2 0 355.526 3.419 20 0 FGADRP CCOc1c(Br)cc(C[NH2+]C[C@@]2(C)CCC[NH2+]C2)cc1OC ZINC000414909290 499843862 /nfs/dbraw/zinc/84/38/62/499843862.db2.gz RMBBNYGVULJXLN-KRWDZBQOSA-N 2 0 371.319 3.336 20 0 FGADRP CC1(C[NH2+]Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)CC[NH2+]CC1 ZINC000414914186 499844391 /nfs/dbraw/zinc/84/43/91/499844391.db2.gz XLFXRZFRABMCIG-UHFFFAOYSA-N 2 0 366.431 3.430 20 0 FGADRP CCCOc1c(Cl)cc(C[NH2+]CC2(COC)CC[NH2+]CC2)cc1OC ZINC000414954991 499848822 /nfs/dbraw/zinc/84/88/22/499848822.db2.gz MHCFPIVGMQTPNN-UHFFFAOYSA-N 2 0 370.921 3.243 20 0 FGADRP [NH3+][C@H]1CCC[C@H](C[NH2+]Cc2cnn(-c3ccc(Br)cc3)c2)C1 ZINC000414994624 499852653 /nfs/dbraw/zinc/85/26/53/499852653.db2.gz MJAPLPOEDQRGHM-BBRMVZONSA-N 2 0 363.303 3.242 20 0 FGADRP COc1cc(C[NH2+]C[C@@H]2CCC[C@@H]([NH3+])C2)ccc1OCc1ccncc1 ZINC000415005555 499854338 /nfs/dbraw/zinc/85/43/38/499854338.db2.gz PEYJYZVOFBYDTQ-IEBWSBKVSA-N 2 0 355.482 3.276 20 0 FGADRP COc1ccc(OCc2ccccn2)c(C[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)c1 ZINC000415012683 499854921 /nfs/dbraw/zinc/85/49/21/499854921.db2.gz UAJGLTOSSKNFTR-LEWJYISDSA-N 2 0 367.493 3.147 20 0 FGADRP C[C@@H]([NH3+])[C@@H](C)[NH2+][C@H](C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000415020142 499855621 /nfs/dbraw/zinc/85/56/21/499855621.db2.gz SLOPWIHFTPRIET-OPRDCNLKSA-N 2 0 351.800 3.401 20 0 FGADRP FC(F)Oc1ccc(C[NH2+]C2CCC([NH+]3CCNCC3)CC2)cc1Cl ZINC000415051985 499858624 /nfs/dbraw/zinc/85/86/24/499858624.db2.gz KJJGSGBKBWEEFS-UHFFFAOYSA-N 2 0 373.875 3.247 20 0 FGADRP Cc1cc(C[NH+]2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)ccc1Br ZINC000415106916 499864606 /nfs/dbraw/zinc/86/46/06/499864606.db2.gz KBDSKLLBZDZNAK-ROUUACIJSA-N 2 0 367.331 3.476 20 0 FGADRP Cc1cc(Br)ccc1C[NH+]1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000415126103 499867240 /nfs/dbraw/zinc/86/72/40/499867240.db2.gz PEERRECSTZAPBQ-MSOLQXFVSA-N 2 0 367.331 3.476 20 0 FGADRP COc1ccc(C[NH2+]CC2(N)CC[NH+](Cc3ccccc3)CC2)cc1Cl ZINC000415132677 499868557 /nfs/dbraw/zinc/86/85/57/499868557.db2.gz LLMGKCXYPLQSEI-UHFFFAOYSA-N 2 0 373.928 3.432 20 0 FGADRP CSc1ccc(C[NH2+]CC2(N)CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000415136770 499869343 /nfs/dbraw/zinc/86/93/43/499869343.db2.gz RXWHFALIQYVWCV-UHFFFAOYSA-N 2 0 355.551 3.492 20 0 FGADRP C[C@@H](c1cccc(NC(=O)N[C@H](C[NH3+])C2CCCCC2)c1)N1CCOCC1 ZINC000415152162 499870942 /nfs/dbraw/zinc/87/09/42/499870942.db2.gz UGAJLSFWXLOLMQ-OXJNMPFZSA-N 2 0 374.529 3.109 20 0 FGADRP Cc1cc(NC(=O)Nc2ccc([C@H](C)[NH3+])cc2)n(C2CC[NH+](C)CC2)n1 ZINC000415245152 499880755 /nfs/dbraw/zinc/88/07/55/499880755.db2.gz AILJJSRZGVYZKJ-AWEZNQCLSA-N 2 0 356.474 3.122 20 0 FGADRP CC1CC[NH+](CCc2cccc(NC(=O)N[C@](C)(C[NH3+])C3CC3)c2)CC1 ZINC000415385433 499890739 /nfs/dbraw/zinc/89/07/39/499890739.db2.gz DXKKKPMHRMDIAZ-OAQYLSRUSA-N 2 0 358.530 3.210 20 0 FGADRP CC(C)[C@](C)(C[NH3+])NC(=O)Nc1cccc(CC[NH+]2CCC(C)CC2)c1 ZINC000415394159 499891131 /nfs/dbraw/zinc/89/11/31/499891131.db2.gz QGWZWJNKDQNNKY-NRFANRHFSA-N 2 0 360.546 3.456 20 0 FGADRP C[NH2+]Cc1ccccc1NC(=O)N[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000415922062 499928888 /nfs/dbraw/zinc/92/88/88/499928888.db2.gz NGVOGBYXLAVUAC-FXAWDEMLSA-N 2 0 366.509 3.438 20 0 FGADRP Cc1ccccc1[C@H]([C@H](C)NC(=O)Nc1ccc(OCC[NH3+])cc1)[NH+](C)C ZINC000415945215 499931684 /nfs/dbraw/zinc/93/16/84/499931684.db2.gz KPTFYLUGISJMOH-JXFKEZNVSA-N 2 0 370.497 3.145 20 0 FGADRP CCCN(CC[NH+]1CCCCCC1)C(=O)Nc1ccc(OCC[NH3+])cc1 ZINC000415944964 499931779 /nfs/dbraw/zinc/93/17/79/499931779.db2.gz KEDGRMQVJFNNSQ-UHFFFAOYSA-N 2 0 362.518 3.144 20 0 FGADRP CC[NH2+]Cc1ccccc1NC(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000415947123 499932136 /nfs/dbraw/zinc/93/21/36/499932136.db2.gz VYEKVRCVRDOGJM-UHFFFAOYSA-N 2 0 366.509 3.366 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)Nc1ccc(OCC[NH3+])cc1)c1ccccc1 ZINC000415952434 499932835 /nfs/dbraw/zinc/93/28/35/499932835.db2.gz DKEKIEIXBZNGBU-FQEVSTJZSA-N 2 0 370.497 3.229 20 0 FGADRP C[C@@H]1CN(C(=O)Nc2ccc(C[NH3+])cc2)CC[N@H+](Cc2ccccc2)C1 ZINC000415960966 499933926 /nfs/dbraw/zinc/93/39/26/499933926.db2.gz QYFFHXQAVRFANX-KRWDZBQOSA-N 2 0 352.482 3.131 20 0 FGADRP COc1ccccc1[C@H](CNC(=O)Nc1ccc(C[NH3+])cc1)[NH+]1CCCC1 ZINC000415964903 499934220 /nfs/dbraw/zinc/93/42/20/499934220.db2.gz WWTHKNWDPFBKOX-IBGZPJMESA-N 2 0 368.481 3.113 20 0 FGADRP C[NH2+]Cc1ccc(NC(=O)N[C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000415984104 499937221 /nfs/dbraw/zinc/93/72/21/499937221.db2.gz OPUQBKZVZIPQPN-PXNSSMCTSA-N 2 0 366.509 3.438 20 0 FGADRP Cc1ccc([C@@H](CNC(=O)Nc2ccc3c(c2)C[NH2+]C3)[NH+]2CCCC2)o1 ZINC000415999142 499939434 /nfs/dbraw/zinc/93/94/34/499939434.db2.gz UNLBEQVERYNYGZ-GOSISDBHSA-N 2 0 354.454 3.150 20 0 FGADRP C[NH+]1CCC(N(Cc2ccccc2)C(=O)Nc2ccc3c(c2)C[NH2+]C3)CC1 ZINC000416001471 499939648 /nfs/dbraw/zinc/93/96/48/499939648.db2.gz ZDWMGZAUXXRIMX-UHFFFAOYSA-N 2 0 364.493 3.418 20 0 FGADRP C[NH2+]Cc1ccc(NC(=O)NC[C@@H](C2CC2)[N@H+](C)Cc2ccccc2)cc1 ZINC000416021076 499941678 /nfs/dbraw/zinc/94/16/78/499941678.db2.gz YJNALMGDNNOYNV-NRFANRHFSA-N 2 0 366.509 3.438 20 0 FGADRP CCc1ccccc1[C@@H]([NH3+])CNC(=O)NCCCC[NH+]1CCC(C)CC1 ZINC000417027760 499951447 /nfs/dbraw/zinc/95/14/47/499951447.db2.gz MBKOVXRVRNIWLD-FQEVSTJZSA-N 2 0 360.546 3.060 20 0 FGADRP CC(C)c1ccc([C@H]([NH3+])CNC(=O)NCc2cccc(C[NH+](C)C)c2)cc1 ZINC000417066822 499962324 /nfs/dbraw/zinc/96/23/24/499962324.db2.gz MBKZVVNSRAXJSF-OAQYLSRUSA-N 2 0 368.525 3.371 20 0 FGADRP C[NH+](C)[C@H](CC(=O)NCC[N@H+](C)Cc1ccc(F)cc1)c1ccccc1 ZINC000416171839 499967135 /nfs/dbraw/zinc/96/71/35/499967135.db2.gz SKSFEDKTJFGITO-HXUWFJFHSA-N 2 0 357.473 3.067 20 0 FGADRP C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)NC2CCC([NH3+])CC2)c1 ZINC000428964510 499970288 /nfs/dbraw/zinc/97/02/88/499970288.db2.gz GSDFJOWZVPZNHT-UHFFFAOYSA-N 2 0 351.494 3.318 20 0 FGADRP CC(C)[NH2+]C1(CO)CCN(CCCOc2ccc3ccccc3c2)CC1 ZINC000582249629 506168838 /nfs/dbraw/zinc/16/88/38/506168838.db2.gz TXEOCDHSTAHWEI-UHFFFAOYSA-N 2 0 356.510 3.434 20 0 FGADRP C[NH2+]C[C@@H]1CCCN(C(=O)NC[C@H](c2ccccc2)[NH+]2CCC(C)CC2)C1 ZINC000417212998 500006425 /nfs/dbraw/zinc/00/64/25/500006425.db2.gz IMTQHDQZNLTSHN-PZJWPPBQSA-N 2 0 372.557 3.101 20 0 FGADRP C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)N[C@H]2CCC[C@@H]2C[NH3+])c1 ZINC000429163666 500016854 /nfs/dbraw/zinc/01/68/54/500016854.db2.gz NUWZQUSLCUGGKS-RTWAWAEBSA-N 2 0 351.494 3.176 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N[C@H](C)[C@@H](C)[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000417293180 500030747 /nfs/dbraw/zinc/03/07/47/500030747.db2.gz DZUJYBGIZOXTQZ-XJKCOSOUSA-N 2 0 374.451 3.123 20 0 FGADRP CC[NH+]1CCC(N2CCC[N@H+](Cc3ccc4c(c3)CC(C)(C)O4)CC2)CC1 ZINC000421382510 500033636 /nfs/dbraw/zinc/03/36/36/500033636.db2.gz XVOXXRWLJNDADO-UHFFFAOYSA-N 2 0 371.569 3.392 20 0 FGADRP Cc1ccc([C@@H](CNC(=O)N[C@H](CCC[NH3+])c2ccccc2)[NH+](C)C)cc1 ZINC000417315275 500037433 /nfs/dbraw/zinc/03/74/33/500037433.db2.gz SAFYZMDGQYRASZ-NHCUHLMSSA-N 2 0 368.525 3.377 20 0 FGADRP Cc1ccc([C@H](CNC(=O)NC[C@@H]([NH3+])c2ccccc2)[NH+]2CCCC2)cc1 ZINC000417359138 500048468 /nfs/dbraw/zinc/04/84/68/500048468.db2.gz VHARSCMRZQJSRF-RTWAWAEBSA-N 2 0 366.509 3.131 20 0 FGADRP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]C2CCN(c3cccnn3)CC2)CC1 ZINC000429416492 500074212 /nfs/dbraw/zinc/07/42/12/500074212.db2.gz DBDUHJYDWJJWEF-YLJYHZDGSA-N 2 0 357.546 3.078 20 0 FGADRP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+](C)[C@@H]2CC[C@H](C)C2)CC1 ZINC000429564624 500104613 /nfs/dbraw/zinc/10/46/13/500104613.db2.gz FNOHXQFKGIVHNO-LAUBAEHRSA-N 2 0 357.542 3.196 20 0 FGADRP C[C@H]([NH3+])c1ccc(CNC(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)cc1 ZINC000416791200 500121548 /nfs/dbraw/zinc/12/15/48/500121548.db2.gz WAALPXYIBXOSIA-LAUBAEHRSA-N 2 0 366.509 3.343 20 0 FGADRP [NH3+]C[C@@H](NC(=O)NC[C@H](c1cccs1)[NH+]1CCCC1)C1CCCCC1 ZINC000416847234 500136666 /nfs/dbraw/zinc/13/66/66/500136666.db2.gz VBADFAVWCWBVKP-IAGOWNOFSA-N 2 0 364.559 3.092 20 0 FGADRP CCC([NH3+])(CC)CNC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000416892888 500149387 /nfs/dbraw/zinc/14/93/87/500149387.db2.gz WTUDQRKIJDOVRY-UHFFFAOYSA-N 2 0 366.937 3.121 20 0 FGADRP C[C@H]([NH2+]C1(CNC(=O)NCC[C@@H]2CCC[NH2+]C2)CCCC1)c1ccccc1 ZINC000417698566 500151573 /nfs/dbraw/zinc/15/15/73/500151573.db2.gz GPGNTTJHHBJWBK-OALUTQOASA-N 2 0 372.557 3.339 20 0 FGADRP CC(C)(C)O[C@@H]1C[C@@H]([NH2+]Cc2ccccc2C[N@@H+]2CC[C@H](O)C2)C1(C)C ZINC000414101270 500153586 /nfs/dbraw/zinc/15/35/86/500153586.db2.gz BQSWKWACLHKKOX-XUVXKRRUSA-N 2 0 360.542 3.325 20 0 FGADRP CCC(CC)(CNC(=O)N1C[C@H](C[NH3+])C[C@H]1C)[NH2+][C@@H](C)c1ccccc1 ZINC000417704780 500153722 /nfs/dbraw/zinc/15/37/22/500153722.db2.gz MTNVCPFODSIZLC-SQNIBIBYSA-N 2 0 360.546 3.275 20 0 FGADRP COc1ccc([C@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CC[C@H](O)C2)c(C)c1 ZINC000414104456 500154231 /nfs/dbraw/zinc/15/42/31/500154231.db2.gz FVXCVJRGMUYHKC-PXNSSMCTSA-N 2 0 354.494 3.421 20 0 FGADRP COc1ccc([C@@H]([NH2+]CC2CC[NH+](CCN(C)C)CC2)C2CC2)c(F)c1 ZINC000421825640 500160502 /nfs/dbraw/zinc/16/05/02/500160502.db2.gz OOVWXUQBBKOAMI-NRFANRHFSA-N 2 0 363.521 3.149 20 0 FGADRP C[C@H](Cc1ccc(F)cc1Cl)[NH2+]CC1CC[NH+](CCN(C)C)CC1 ZINC000421827126 500160885 /nfs/dbraw/zinc/16/08/85/500160885.db2.gz WKZAMRQAHOKCBK-OAHLLOKOSA-N 2 0 355.929 3.273 20 0 FGADRP C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)NC[C@H]3CCC[C@@H]([NH3+])C3)cc2)C1 ZINC000416966133 500168115 /nfs/dbraw/zinc/16/81/15/500168115.db2.gz FADVJWZJWPCYRJ-JRGCBEDISA-N 2 0 372.557 3.235 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)NC[C@@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000416969817 500169870 /nfs/dbraw/zinc/16/98/70/500169870.db2.gz CQXAEPLWHHWSSE-DUXKGJEZSA-N 2 0 372.557 3.378 20 0 FGADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000416969671 500169943 /nfs/dbraw/zinc/16/99/43/500169943.db2.gz KXAHHIAZXASVOL-HXUWFJFHSA-N 2 0 354.498 3.026 20 0 FGADRP C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)NCC[C@H]3CCC[NH2+]C3)cc2)C1 ZINC000416970205 500170236 /nfs/dbraw/zinc/17/02/36/500170236.db2.gz NCJZZPPMLKBUHY-RBUKOAKNSA-N 2 0 372.557 3.107 20 0 FGADRP C[C@@H]1CCN(C(=O)NCc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)C[C@@H]1C[NH3+] ZINC000416975497 500172670 /nfs/dbraw/zinc/17/26/70/500172670.db2.gz MVNXMUMIHQZPBB-OPYAIIAOSA-N 2 0 372.557 3.187 20 0 FGADRP CC1=CCC[C@@H](C)[C@H]1C[NH+]1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000573366251 506180502 /nfs/dbraw/zinc/18/05/02/506180502.db2.gz KHDUTKONBNUACG-CTNGQTDRSA-N 2 0 361.574 3.293 20 0 FGADRP CC[NH+](CC)Cc1cccc(CNC(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)c1 ZINC000416976915 500173512 /nfs/dbraw/zinc/17/35/12/500173512.db2.gz BPTRTTXCCOUYCG-NRFANRHFSA-N 2 0 372.557 3.060 20 0 FGADRP C[NH2+]C[C@H]1CCCN(C(=O)NCc2ccc(C[NH+]3CCC(C)CC3)cc2)C1 ZINC000416984136 500174883 /nfs/dbraw/zinc/17/48/83/500174883.db2.gz XPOGGCJOBKRUAC-OAQYLSRUSA-N 2 0 372.557 3.060 20 0 FGADRP C[C@H](CCNC(=O)NCc1ccc([C@H](C)[NH3+])cc1)[N@H+](C)Cc1ccccc1 ZINC000417811942 500177361 /nfs/dbraw/zinc/17/73/61/500177361.db2.gz KJTJWWKLHBMOFZ-MSOLQXFVSA-N 2 0 368.525 3.416 20 0 FGADRP CN(C)C(=O)c1ccccc1C[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000417816699 500177772 /nfs/dbraw/zinc/17/77/72/500177772.db2.gz TZYGEOHPJBLEFJ-UHFFFAOYSA-N 2 0 357.542 3.476 20 0 FGADRP C[NH+](C)[C@H](CNC(=O)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]C1)C1CCCCC1 ZINC000417008043 500182687 /nfs/dbraw/zinc/18/26/87/500182687.db2.gz IBXCVQHNRFSWHR-VAMGGRTRSA-N 2 0 364.578 3.061 20 0 FGADRP C[NH+](C)[C@@H](CNC(=O)N[C@@H](CCC[NH3+])c1ccccc1)C1CCCCC1 ZINC000417009342 500183624 /nfs/dbraw/zinc/18/36/24/500183624.db2.gz KGWUWQJISPXLRK-PMACEKPBSA-N 2 0 360.546 3.276 20 0 FGADRP CC1CC[NH+](CCCCNC(=O)N(CCC[NH3+])Cc2ccccc2)CC1 ZINC000417016471 500184713 /nfs/dbraw/zinc/18/47/13/500184713.db2.gz ABOCWQJEVMEJSA-UHFFFAOYSA-N 2 0 360.546 3.059 20 0 FGADRP C[C@@H]([NH3+])c1ccc(CNC(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)cc1 ZINC000417021724 500185803 /nfs/dbraw/zinc/18/58/03/500185803.db2.gz KBAQFFLBYFZFSC-UTKZUKDTSA-N 2 0 366.509 3.343 20 0 FGADRP CN1CC[NH+](CC2(C)CC[NH+](Cc3ccc4c(c3)CCCC4)CC2)CC1 ZINC000430076234 500189217 /nfs/dbraw/zinc/18/92/17/500189217.db2.gz MDWBYOHVSFCIEJ-UHFFFAOYSA-N 2 0 355.570 3.415 20 0 FGADRP CC(C)C[C@H](CNC(=O)N1C[C@H](C[NH3+])C[C@@H]1C)[NH2+][C@H](C)c1ccccc1 ZINC000417877418 500189824 /nfs/dbraw/zinc/18/98/24/500189824.db2.gz QAFMNKVGJOFCFV-HLNWXESRSA-N 2 0 360.546 3.131 20 0 FGADRP CCCC[N@H+](CC)Cc1cccc(CNC(=O)N2CC[C@H]([C@H](C)[NH3+])C2)c1 ZINC000417879478 500190178 /nfs/dbraw/zinc/19/01/78/500190178.db2.gz PQEDXZRPCKQVJM-PXNSSMCTSA-N 2 0 360.546 3.187 20 0 FGADRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000417922838 500198849 /nfs/dbraw/zinc/19/88/49/500198849.db2.gz JPWNGMVYMUNIET-ACBHZAAOSA-N 2 0 352.567 3.044 20 0 FGADRP C[C@@H]1C[C@H](CCNC(=O)NCCC[C@H]2CCC[NH2+]2)C[N@@H+]1Cc1ccccc1 ZINC000417933067 500200064 /nfs/dbraw/zinc/20/00/64/500200064.db2.gz XEVCJBKWVUIJKC-HLAWJBBLSA-N 2 0 372.557 3.119 20 0 FGADRP C[C@H](NC(=O)N(CCC[NH3+])CC1CCCC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000417992488 500211088 /nfs/dbraw/zinc/21/10/88/500211088.db2.gz MQAJLQMTXYSWET-PKOBYXMFSA-N 2 0 364.578 3.190 20 0 FGADRP C[NH+]1CCC(C)(CNC(=O)NC[C@@]2(C)CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000430245453 500214233 /nfs/dbraw/zinc/21/42/33/500214233.db2.gz PBGNINKBAJUGBF-JOCHJYFZSA-N 2 0 372.557 3.072 20 0 FGADRP C[NH+]1CCC(C)(CNC(=O)NC[C@]2(C)CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000430245454 500214441 /nfs/dbraw/zinc/21/44/41/500214441.db2.gz PBGNINKBAJUGBF-QFIPXVFZSA-N 2 0 372.557 3.072 20 0 FGADRP C[N@H+](CCCOCc1ccccc1)C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000425982845 500221059 /nfs/dbraw/zinc/22/10/59/500221059.db2.gz AHMXFGDVOWRNSJ-HSZRJFAPSA-N 2 0 368.521 3.162 20 0 FGADRP CCC(CC)[C@H](CNC(=O)NC1CCC([NH+](C)C)CC1)[NH+]1CCCC1 ZINC000422156753 500222705 /nfs/dbraw/zinc/22/27/05/500222705.db2.gz XETUUYMHABTGOM-ACBHZAAOSA-N 2 0 352.567 3.059 20 0 FGADRP CC1CC[NH+](Cc2ccccc2CNC(=O)NCC[C@@H]2CCC[NH2+]C2)CC1 ZINC000418062662 500224594 /nfs/dbraw/zinc/22/45/94/500224594.db2.gz GQVSVYDHEBVCKT-IBGZPJMESA-N 2 0 372.557 3.107 20 0 FGADRP C[NH+](C)[C@@H]1CCCN(C(=O)[C@@]23CCC[C@@H]2C[N@H+](Cc2ccccc2)C3)CC1 ZINC000430400160 500235612 /nfs/dbraw/zinc/23/56/12/500235612.db2.gz MQSFSQNMJKFUAY-MQSCRBSSSA-N 2 0 369.553 3.231 20 0 FGADRP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000418150817 500237455 /nfs/dbraw/zinc/23/74/55/500237455.db2.gz DKDSQTBDGMDLHR-PMACEKPBSA-N 2 0 372.557 3.104 20 0 FGADRP CCc1ccccc1[C@H]([NH3+])CNC(=O)N[C@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC000418162760 500239906 /nfs/dbraw/zinc/23/99/06/500239906.db2.gz CXIYGEUYOFHXDC-MAODMQOUSA-N 2 0 368.525 3.239 20 0 FGADRP C[C@@H](NC(=O)N(CCC[NH3+])CC1CCCC1)[C@@H](c1ccccc1)[NH+](C)C ZINC000418175988 500242599 /nfs/dbraw/zinc/24/25/99/500242599.db2.gz GNDRHSKTYGPAAA-XLIONFOSSA-N 2 0 360.546 3.228 20 0 FGADRP C[NH+](C)C[C@H](NC(=O)NC1CCC([NH+](C)C)CC1)c1ccc(Cl)cc1 ZINC000422261948 500243254 /nfs/dbraw/zinc/24/32/54/500243254.db2.gz NZAZBSCQPNQFNI-ABHNRTSZSA-N 2 0 366.937 3.115 20 0 FGADRP CCC[N@H+](C)[C@H](CNC(=O)N1CC[C@@H]([C@@H](C)[NH3+])C1)c1ccc(Cl)cc1 ZINC000418185257 500244799 /nfs/dbraw/zinc/24/47/99/500244799.db2.gz QWTOEIQTTBQELV-QGPMSJSTSA-N 2 0 366.937 3.102 20 0 FGADRP CCc1ccc([C@H](CNC(=O)N2CCC([C@@H](C)[NH3+])CC2)[NH+](CC)CC)cc1 ZINC000418214903 500250253 /nfs/dbraw/zinc/25/02/53/500250253.db2.gz MIVHRRCMSQTLJH-UTKZUKDTSA-N 2 0 374.573 3.401 20 0 FGADRP CC[NH2+]CC1CC[NH+]([C@@H](C)C(=O)N[C@H](C)c2ccc(Cl)cc2)CC1 ZINC000430542536 500251446 /nfs/dbraw/zinc/25/14/46/500251446.db2.gz KTVCZTYDTAPSKC-CABCVRRESA-N 2 0 351.922 3.227 20 0 FGADRP CSc1ccc([C@H](CNC(=O)N(C)CC[C@@H]([NH3+])C(C)C)[NH+](C)C)cc1 ZINC000418229260 500253241 /nfs/dbraw/zinc/25/32/41/500253241.db2.gz GONHFGFABQHDKQ-MSOLQXFVSA-N 2 0 366.575 3.026 20 0 FGADRP [NH3+]CC1CC[NH+](CC(=O)N2CCC[C@H]2c2ccc(Cl)c(Cl)c2)CC1 ZINC000430616465 500262304 /nfs/dbraw/zinc/26/23/04/500262304.db2.gz FNRGQMHWEZNMEG-KRWDZBQOSA-N 2 0 370.324 3.328 20 0 FGADRP C[C@@H](c1ccc2ccccc2c1)[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430642365 500265167 /nfs/dbraw/zinc/26/51/67/500265167.db2.gz JZLWNKFYZZXLQQ-UWJYYQICSA-N 2 0 351.494 3.045 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)NCC[C@H]2CCC[NH2+]C2)CC1 ZINC000418356047 500267542 /nfs/dbraw/zinc/26/75/42/500267542.db2.gz XLAWVEADUYSERN-UYAOXDASSA-N 2 0 364.578 3.062 20 0 FGADRP CC(C)c1ccc([C@H]([NH3+])CNC(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)cc1 ZINC000418354369 500267720 /nfs/dbraw/zinc/26/77/20/500267720.db2.gz OJEXOULQWFLONP-VQTJNVASSA-N 2 0 360.546 3.326 20 0 FGADRP CC(C)c1ccc([C@H]([NH3+])CNC(=O)N2CCC([NH+]3CCCCC3)CC2)cc1 ZINC000418363390 500268824 /nfs/dbraw/zinc/26/88/24/500268824.db2.gz VSGGGGJMJYUJEH-OAQYLSRUSA-N 2 0 372.557 3.470 20 0 FGADRP CC(C)([NH3+])CNC(=O)N1CC(C)(C)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000418410860 500273251 /nfs/dbraw/zinc/27/32/51/500273251.db2.gz DEPJDSMEDJMGRV-IBGZPJMESA-N 2 0 372.557 3.056 20 0 FGADRP CC[N@H+](CCC1CCN(C(=O)NC[C@@H]([NH3+])c2ccccc2)CC1)CC1CC1 ZINC000418423095 500274294 /nfs/dbraw/zinc/27/42/94/500274294.db2.gz FDEFCZLOWLJLBG-OAQYLSRUSA-N 2 0 372.557 3.230 20 0 FGADRP CC[NH+](CC)CCN(Cc1cccs1)C(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000418421841 500274315 /nfs/dbraw/zinc/27/43/15/500274315.db2.gz CZSNNSASSXJJRF-IBGZPJMESA-N 2 0 374.554 3.302 20 0 FGADRP CCc1nc2ccccc2n1C1CCN(C(=O)NCC([NH3+])(CC)CC)CC1 ZINC000418422158 500274432 /nfs/dbraw/zinc/27/44/32/500274432.db2.gz CLYNLZPTSBCXIY-UHFFFAOYSA-N 2 0 371.529 3.463 20 0 FGADRP [NH3+]C1(C(=O)Nc2cccc(NC(=O)CC[NH+]3CCCCC3)c2)CCCCC1 ZINC000430728144 500275979 /nfs/dbraw/zinc/27/59/79/500275979.db2.gz JXQSHNUISVFPHN-UHFFFAOYSA-N 2 0 372.513 3.101 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)NC[C@]2(C)CCC[NH2+]C2)CC1 ZINC000418525178 500287118 /nfs/dbraw/zinc/28/71/18/500287118.db2.gz XODPHFWVZBONKY-WIYYLYMNSA-N 2 0 364.578 3.062 20 0 FGADRP CC1(C)CN(C(=O)NCCCC[NH3+])[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000418530483 500287557 /nfs/dbraw/zinc/28/75/57/500287557.db2.gz QZWNJWPUHOLCNQ-HXUWFJFHSA-N 2 0 372.557 3.058 20 0 FGADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]Cc1cccc(NC(=O)C2CCCCC2)c1 ZINC000422712614 500288706 /nfs/dbraw/zinc/28/87/06/500288706.db2.gz IPWWZPVCRFSADA-YSSFQJQWSA-N 2 0 359.514 3.047 20 0 FGADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000422717394 500289241 /nfs/dbraw/zinc/28/92/41/500289241.db2.gz VPXLPTNGEQWKNT-AZUAARDMSA-N 2 0 361.599 3.286 20 0 FGADRP FC(F)(F)Oc1cccc(N2CC[C@H]([NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)c1 ZINC000422726504 500290656 /nfs/dbraw/zinc/29/06/56/500290656.db2.gz FARRSLJUQANLEY-MBOZISHXSA-N 2 0 355.404 3.037 20 0 FGADRP COc1cccc([C@H](CNC(=O)[C@@H]2CCCCCC[C@H]2[NH3+])[NH+]2CCCC2)c1 ZINC000430821950 500291374 /nfs/dbraw/zinc/29/13/74/500291374.db2.gz NDJLQLDEPNYAQH-NJYVYQBISA-N 2 0 373.541 3.246 20 0 FGADRP C[C@H](COc1cccc(F)c1)[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422740689 500292203 /nfs/dbraw/zinc/29/22/03/500292203.db2.gz OCVUZEFHBJEYFV-QFIXIFRTSA-N 2 0 356.441 3.439 20 0 FGADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+][C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000422738278 500292223 /nfs/dbraw/zinc/29/22/23/500292223.db2.gz YJOSGTIIHFVKGL-JLSDUUJJSA-N 2 0 355.448 3.257 20 0 FGADRP c1csc([C@H](C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)N2CCOCC2)c1 ZINC000422741890 500293372 /nfs/dbraw/zinc/29/33/72/500293372.db2.gz FLHLEBVMXOTFGN-MANSERQUSA-N 2 0 363.571 3.022 20 0 FGADRP COc1ccccc1[C@H](CN[C@H](Cc1ccccc1)[C@@H](C)[NH3+])[NH+]1CCCC1 ZINC000422749489 500293809 /nfs/dbraw/zinc/29/38/09/500293809.db2.gz ZKKWPSCLECKRGN-QIJUGHKUSA-N 2 0 367.537 3.380 20 0 FGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+][C@H](C)CCCC[NH3+])CC1 ZINC000422746931 500293831 /nfs/dbraw/zinc/29/38/31/500293831.db2.gz XOBIJLYGILMIIZ-SJORKVTESA-N 3 0 350.526 3.136 20 0 FGADRP C[C@@H]([NH2+]CC1(c2cccc(C(F)(F)F)c2)CCOCC1)[C@H]1CCC[NH2+]1 ZINC000422756609 500294369 /nfs/dbraw/zinc/29/43/69/500294369.db2.gz JCDMMFGSZOUGQH-RHSMWYFYSA-N 2 0 356.432 3.484 20 0 FGADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CCNc1ncc(Cl)cc1Cl ZINC000422775792 500296790 /nfs/dbraw/zinc/29/67/90/500296790.db2.gz CIISKZDZXRWRBD-JTQLQIEISA-N 2 0 354.285 3.313 20 0 FGADRP CCOC(=O)C1([C@@H](C)[NH2+]CC[C@H](C)c2ccc(OC)cc2)CC[NH2+]CC1 ZINC000422781622 500297250 /nfs/dbraw/zinc/29/72/50/500297250.db2.gz LUBVWCLEOCJCIG-DLBZAZTESA-N 2 0 362.514 3.100 20 0 FGADRP CCc1ccc([C@@H]([NH2+][C@@H](C)CCC[NH3+])c2cccc(S(C)(=O)=O)c2)cc1 ZINC000422797875 500299194 /nfs/dbraw/zinc/29/91/94/500299194.db2.gz OWCIISZWSLKUKQ-HRAATJIYSA-N 2 0 374.550 3.459 20 0 FGADRP Cc1cccc(N2CCN(CCC[NH2+][C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)CC2)c1 ZINC000422801438 500299627 /nfs/dbraw/zinc/29/96/27/500299627.db2.gz BXOCIZOHCNIGJN-YTFSRNRJSA-N 2 0 370.585 3.017 20 0 FGADRP CCc1ccccc1[C@@H]([NH3+])CNC(=O)N(CC[NH+](C)C)Cc1ccsc1 ZINC000418643517 500300138 /nfs/dbraw/zinc/30/01/38/500300138.db2.gz BGFYNPKOCCWJIS-IBGZPJMESA-N 2 0 374.554 3.084 20 0 FGADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CC(C)(C)c1ccc2c(c1)OCCO2 ZINC000422808080 500300516 /nfs/dbraw/zinc/30/05/16/500300516.db2.gz ABJAEXFVHKRDJT-AWEZNQCLSA-N 2 0 355.482 3.248 20 0 FGADRP C[NH+](C)Cc1cccc(C[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000422806105 500300732 /nfs/dbraw/zinc/30/07/32/500300732.db2.gz KAHDOAXSYKUGLS-UNMCSNQZSA-N 3 0 351.494 3.094 20 0 FGADRP FC(F)(F)COCc1ccc(C[NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000422825920 500302803 /nfs/dbraw/zinc/30/28/03/500302803.db2.gz QEINWKLLNXYDHA-OKZBNKHCSA-N 2 0 372.431 3.012 20 0 FGADRP CC(C)[C@@H](C(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2)[NH+](C)C ZINC000426663937 500303804 /nfs/dbraw/zinc/30/38/04/500303804.db2.gz OJTCCMIKNOWTRV-UNMCSNQZSA-N 2 0 357.542 3.087 20 0 FGADRP COc1ccc([C@H](NC2CC[NH+](C3CCCC3)CC2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422838486 500304455 /nfs/dbraw/zinc/30/44/55/500304455.db2.gz ONVQIOGYDCQFGJ-VXKWHMMOSA-N 2 0 357.542 3.485 20 0 FGADRP CCOc1ccc(C[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1OC ZINC000422847557 500305408 /nfs/dbraw/zinc/30/54/08/500305408.db2.gz RTAPNUPKWRBGOQ-PGRDOPGGSA-N 2 0 368.477 3.439 20 0 FGADRP CC1CCC([NH+]2CCN(C(=O)N[C@@H](CCC[NH3+])c3ccccc3)CC2)CC1 ZINC000418676644 500306048 /nfs/dbraw/zinc/30/60/48/500306048.db2.gz QXXHMYRAKBMWSC-MNLRITNHSA-N 2 0 372.557 3.373 20 0 FGADRP C[C@@H]([NH3+])C1CC[NH+](CC(=O)N[C@@H](c2ccccc2)C2CCCCC2)CC1 ZINC000430920625 500307164 /nfs/dbraw/zinc/30/71/64/500307164.db2.gz PPIIEAJIPGZQGL-VGSWGCGISA-N 2 0 357.542 3.483 20 0 FGADRP C[C@H]([NH3+])C1CC[NH+](CC(=O)N[C@H](CC(C)(C)C)c2ccc(F)cc2)CC1 ZINC000430923445 500307667 /nfs/dbraw/zinc/30/76/67/500307667.db2.gz DVGQCHUYLCRIEV-HNAYVOBHSA-N 2 0 363.521 3.478 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCN[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000422873645 500309143 /nfs/dbraw/zinc/30/91/43/500309143.db2.gz AVOWLUDHUZJMDP-TWWGPRNNSA-N 2 0 357.542 3.200 20 0 FGADRP C[C@@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)N1CC[C@H]([NH3+])[C@H](C)C1 ZINC000430940198 500310217 /nfs/dbraw/zinc/31/02/17/500310217.db2.gz JESSHLGCRPWUGR-BFVZDQMLSA-N 2 0 363.811 3.355 20 0 FGADRP COc1cc(OC)c(CC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)c(OC)c1 ZINC000422885241 500310882 /nfs/dbraw/zinc/31/08/82/500310882.db2.gz GOHBUSBNDFSGSE-YTQUADARSA-N 2 0 362.514 3.155 20 0 FGADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]CC1(c2ccc(Br)cc2)CCOCC1 ZINC000422885427 500310892 /nfs/dbraw/zinc/31/08/92/500310892.db2.gz YPAPWUFRCIROPE-YOEHRIQHSA-N 2 0 367.331 3.214 20 0 FGADRP COC1CC[NH+](C2(CN[C@H](C)C[C@@H]3CCCCC[NH2+]3)CCCC2)CC1 ZINC000422891681 500311503 /nfs/dbraw/zinc/31/15/03/500311503.db2.gz VYPQKNLNKQCHJA-MOPGFXCFSA-N 2 0 351.579 3.310 20 0 FGADRP C[C@@H](CCC[NH3+])[NH2+]C1CCN(Cc2ccc(Br)cc2)CC1 ZINC000422889862 500311737 /nfs/dbraw/zinc/31/17/37/500311737.db2.gz HBDKZMYBFZYDDD-AWEZNQCLSA-N 2 0 354.336 3.131 20 0 FGADRP C[NH2+]CC1CC[NH+]([C@H](C)C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)CC1 ZINC000430946069 500311853 /nfs/dbraw/zinc/31/18/53/500311853.db2.gz UYXZPQJZADVUND-QWHCGFSZSA-N 2 0 372.340 3.491 20 0 FGADRP C[C@H]([NH2+]C[C@@H]1CCN(c2cccc(Br)c2)C1)[C@H]1CCC[NH2+]1 ZINC000422896121 500312230 /nfs/dbraw/zinc/31/22/30/500312230.db2.gz HJRHXXRKENNBBA-GRDNDAEWSA-N 2 0 352.320 3.006 20 0 FGADRP CCOC(=O)C1([C@@H](C)[NH2+]Cc2oc3ccc(F)cc3c2C)CC[NH2+]CC1 ZINC000422899145 500312785 /nfs/dbraw/zinc/31/27/85/500312785.db2.gz GUZKKCPALOEMBO-CQSZACIVSA-N 2 0 362.445 3.291 20 0 FGADRP COc1ccc(OCCC[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422900644 500313779 /nfs/dbraw/zinc/31/37/79/500313779.db2.gz QVBIXDRGDGLCEH-IRLDBZIGSA-N 2 0 368.477 3.310 20 0 FGADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]C[C@H]1CCCCN1Cc1cccc(Cl)c1 ZINC000422905333 500314511 /nfs/dbraw/zinc/31/45/11/500314511.db2.gz HVLBOFRABVMDAJ-JOCLIGHLSA-N 2 0 365.949 3.036 20 0 FGADRP COc1ccc(C[NH+]2CCC([C@@H](C)[NH3+])CC2)c(Br)c1OC ZINC000430967413 500315069 /nfs/dbraw/zinc/31/50/69/500315069.db2.gz SRZYWFGAJKQOAL-LLVKDONJSA-N 2 0 357.292 3.026 20 0 FGADRP C[NH+](C)CCOc1cccc(N[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000422913001 500315333 /nfs/dbraw/zinc/31/53/33/500315333.db2.gz OUARJIPISMJGQQ-IFMALSPDSA-N 2 0 367.493 3.295 20 0 FGADRP [NH3+][C@@H]1C[C@@H](NCc2ccc(OCC[NH+]3CCCC3)cc2)c2ccccc21 ZINC000422908939 500315638 /nfs/dbraw/zinc/31/56/38/500315638.db2.gz DXZGFSJKPZGWCR-FGZHOGPDSA-N 2 0 351.494 3.396 20 0 FGADRP Cc1ccc(Br)cc1NC(=O)CC[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000422956345 500323448 /nfs/dbraw/zinc/32/34/48/500323448.db2.gz PMBWGWXDWAXFQN-ZFWWWQNUSA-N 2 0 368.319 3.193 20 0 FGADRP O[C@H](C(F)F)[C@H](Cc1ccccc1)[NH2+][C@H]1CCN[C@H](c2ccccc2)C1 ZINC000422972708 500325156 /nfs/dbraw/zinc/32/51/56/500325156.db2.gz AJKKUPAEGNNXNE-MUGJNUQGSA-N 2 0 360.448 3.307 20 0 FGADRP CC(C)C[N@@H+]1CCCC[C@@H]1CN[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422991498 500328476 /nfs/dbraw/zinc/32/84/76/500328476.db2.gz BHHSZXCMQWEOLL-UZKOGDIHSA-N 2 0 357.542 3.342 20 0 FGADRP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1ccc2c(ccn2CCC[NH3+])c1 ZINC000431059783 500330097 /nfs/dbraw/zinc/33/00/97/500330097.db2.gz CGSDPGKQXMMONZ-KSZLIROESA-N 2 0 370.541 3.086 20 0 FGADRP COC[C@H](CCC[NH3+])[NH2+]C1CCN(Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000423029854 500333284 /nfs/dbraw/zinc/33/32/84/500333284.db2.gz IUWIFRMITOTOHU-SFHVURJKSA-N 2 0 374.356 3.301 20 0 FGADRP COCC[C@H](Cc1ccco1)[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423035518 500333816 /nfs/dbraw/zinc/33/38/16/500333816.db2.gz RRKJQOIZOMNAOZ-BSIFCXSSSA-N 2 0 356.466 3.073 20 0 FGADRP COc1cc(Br)ccc1CCC[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000423035481 500333921 /nfs/dbraw/zinc/33/39/21/500333921.db2.gz RNAXUCCYECTSDZ-GDBMZVCRSA-N 2 0 355.320 3.497 20 0 FGADRP [NH3+]CC1CCC([NH2+][C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)CC1 ZINC000423045509 500334468 /nfs/dbraw/zinc/33/44/68/500334468.db2.gz SKMIPZFXKLUXTG-ZEPSKSRBSA-N 2 0 356.297 3.206 20 0 FGADRP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CCc1ccc(OCC(F)(F)F)nc1 ZINC000423044380 500334512 /nfs/dbraw/zinc/33/45/12/500334512.db2.gz AKWANZXEGIECGO-GOEBONIOSA-N 2 0 359.436 3.466 20 0 FGADRP COC[C@H](CCC[NH3+])[NH2+]Cc1nc2c(s1)C[C@H](c1ccccc1)CC2 ZINC000423043846 500334554 /nfs/dbraw/zinc/33/45/54/500334554.db2.gz ACXFOOOXOWICJZ-SJORKVTESA-N 2 0 359.539 3.259 20 0 FGADRP CCOC(=O)C1([C@H](C)[NH2+]CCc2c(C)oc3ccccc32)CC[NH2+]CC1 ZINC000423046506 500334860 /nfs/dbraw/zinc/33/48/60/500334860.db2.gz FKGIVDZTYSEGAS-INIZCTEOSA-N 2 0 358.482 3.195 20 0 FGADRP CCOC(=O)C1([C@@H](C)[NH2+]CCc2c(C)oc3ccccc32)CC[NH2+]CC1 ZINC000423046507 500335110 /nfs/dbraw/zinc/33/51/10/500335110.db2.gz FKGIVDZTYSEGAS-MRXNPFEDSA-N 2 0 358.482 3.195 20 0 FGADRP COC[C@@H](CCC[NH3+])[NH2+][C@H](c1cc(F)cc(Br)c1)C1CC1 ZINC000423046054 500335165 /nfs/dbraw/zinc/33/51/65/500335165.db2.gz CZIZSIDFJOWYKL-CVEARBPZSA-N 2 0 359.283 3.383 20 0 FGADRP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1)CC3 ZINC000423050268 500335631 /nfs/dbraw/zinc/33/56/31/500335631.db2.gz YTDBINWWKPADKG-JHGBEIFQSA-N 2 0 353.510 3.080 20 0 FGADRP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1)CC3 ZINC000423050267 500335713 /nfs/dbraw/zinc/33/57/13/500335713.db2.gz YTDBINWWKPADKG-HCBXPFHNSA-N 2 0 353.510 3.080 20 0 FGADRP C[C@@H]([NH2+][C@H]1CC2CCC1CC2)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000431103788 500336622 /nfs/dbraw/zinc/33/66/22/500336622.db2.gz RFFFYAMWTXCOMV-IMRXEORRSA-N 2 0 369.553 3.324 20 0 FGADRP CCOC(=O)C1([C@H](C)[NH2+]C[C@H](c2ccccc2)C(F)(F)F)CC[NH2+]CC1 ZINC000423062777 500337276 /nfs/dbraw/zinc/33/72/76/500337276.db2.gz NQAWVIPJBYKSSZ-GOEBONIOSA-N 2 0 372.431 3.244 20 0 FGADRP COC(=O)c1csc(-c2cccc(C[NH2+][C@@H]3CC[NH2+]CC[C@H]3C)c2)n1 ZINC000423072733 500338460 /nfs/dbraw/zinc/33/84/60/500338460.db2.gz JSAGGRIUAZWLCK-CZUORRHYSA-N 2 0 359.495 3.074 20 0 FGADRP COC(=O)c1csc(-c2cccc(C[NH2+][C@H]3CC[NH2+]CC[C@@H]3C)c2)n1 ZINC000423072731 500338527 /nfs/dbraw/zinc/33/85/27/500338527.db2.gz JSAGGRIUAZWLCK-BBRMVZONSA-N 2 0 359.495 3.074 20 0 FGADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CCCCn1cc(Br)cn1 ZINC000423086524 500340423 /nfs/dbraw/zinc/34/04/23/500340423.db2.gz NLIVSRDBTGVUFU-ZBFHGGJFSA-N 2 0 357.340 3.326 20 0 FGADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H](CO)c1ccc(Br)cc1C(F)(F)F ZINC000423092524 500341320 /nfs/dbraw/zinc/34/13/20/500341320.db2.gz CENDMFHTZFLVHQ-RVBZMBCESA-N 2 0 369.225 3.217 20 0 FGADRP CC(C)c1nnc(CC[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)s1 ZINC000423123458 500345414 /nfs/dbraw/zinc/34/54/14/500345414.db2.gz DRVRTXRJNPLISH-HNAYVOBHSA-N 2 0 358.511 3.050 20 0 FGADRP Cc1cccc2c1OC[C@H]([NH2+][C@@H]1C[C@]3(CC[NH2+]C3)Oc3ccccc31)C2 ZINC000423131649 500346448 /nfs/dbraw/zinc/34/64/48/500346448.db2.gz BGTHVUWXBUGYTF-JUXOCIIHSA-N 2 0 350.462 3.144 20 0 FGADRP COC[C@@H](CCC[NH3+])[NH2+]CC1(c2ccccc2Br)CCC1 ZINC000423137637 500347456 /nfs/dbraw/zinc/34/74/56/500347456.db2.gz WOMICKAJJKTHDK-CQSZACIVSA-N 2 0 355.320 3.214 20 0 FGADRP CCCOc1c(OC)cc(CC[NH2+][C@@H]2CCCCC[C@H]2[NH3+])cc1OC ZINC000423149326 500348491 /nfs/dbraw/zinc/34/84/91/500348491.db2.gz HHIKFBPOPMIAIB-IAGOWNOFSA-N 2 0 350.503 3.285 20 0 FGADRP C[C@H]([NH2+]CCCN1CC[NH2+]CC1)c1cc2cc(Br)ccc2o1 ZINC000423176386 500351861 /nfs/dbraw/zinc/35/18/61/500351861.db2.gz BZKIRKYKDHRXQN-ZDUSSCGKSA-N 2 0 366.303 3.141 20 0 FGADRP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H](NCCC[NH2+]Cc2cccnc2)C3)cc1 ZINC000423182794 500352813 /nfs/dbraw/zinc/35/28/13/500352813.db2.gz FNCBLEJJEVCHTO-NUNAXRQHSA-N 2 0 364.537 3.347 20 0 FGADRP Cc1cccc(COc2ccc([C@H](C)[NH2+]CCN3CC[NH2+]CC3)cc2)c1 ZINC000423209814 500355234 /nfs/dbraw/zinc/35/52/34/500355234.db2.gz VVBMZZMFWFNPRK-IBGZPJMESA-N 2 0 353.510 3.130 20 0 FGADRP Brc1ccccc1[C@@H]([NH2+]CCN1CC[NH2+]CC1)c1ccccc1 ZINC000423209115 500355471 /nfs/dbraw/zinc/35/54/71/500355471.db2.gz UQUHOQRJNAPEBH-IBGZPJMESA-N 2 0 374.326 3.033 20 0 FGADRP COc1ccc(Cc2nc(C)c([C@H](C)[NH2+]CC[C@H](C)[NH3+])s2)cc1OC ZINC000423227479 500356209 /nfs/dbraw/zinc/35/62/09/500356209.db2.gz VYYNQNGEPMGJKK-STQMWFEESA-N 2 0 363.527 3.447 20 0 FGADRP CC(C)c1ccc([C@H]([NH3+])CNC2CC[NH+](Cc3ccccn3)CC2)cc1 ZINC000423248688 500358741 /nfs/dbraw/zinc/35/87/41/500358741.db2.gz RYNGMIZLJFFKHG-JOCHJYFZSA-N 2 0 352.526 3.459 20 0 FGADRP C[C@H]([NH2+]CC[C@@H]1CCC[NH2+]C1)c1ccccc1I ZINC000423264080 500360219 /nfs/dbraw/zinc/36/02/19/500360219.db2.gz XZXZRIHROPGVBP-STQMWFEESA-N 2 0 358.267 3.332 20 0 FGADRP CC[C@H]([NH2+]Cc1ccc([C@H](C)[NH3+])cc1)c1ccccc1OCC(=O)N(C)C ZINC000423293387 500361838 /nfs/dbraw/zinc/36/18/38/500361838.db2.gz RETMEJBPMNJLMW-JXFKEZNVSA-N 2 0 369.509 3.414 20 0 FGADRP [NH3+][C@H](C[NH2+][C@@H](c1cccc(Br)c1)C1CCOCC1)C1CC1 ZINC000423331765 500364997 /nfs/dbraw/zinc/36/49/97/500364997.db2.gz UVHOPAANWMHFKG-IAGOWNOFSA-N 2 0 353.304 3.244 20 0 FGADRP Cc1ccc([C@H]([NH2+]CCCC[NH3+])c2cccc(S(C)(=O)=O)c2)c(C)c1 ZINC000423340527 500365186 /nfs/dbraw/zinc/36/51/86/500365186.db2.gz XIPDXPPZBFAPNL-HXUWFJFHSA-N 2 0 360.523 3.125 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)c1ccc([C@@H](C)[NH3+])cc1)Cc1ccccc1 ZINC000423334295 500365292 /nfs/dbraw/zinc/36/52/92/500365292.db2.gz SNXJNQCFRJTQDK-UTKZUKDTSA-N 2 0 353.510 3.389 20 0 FGADRP COCC1(C[NH2+][C@H]2CCc3ccc(OC(F)(F)F)cc32)CC[NH2+]CC1 ZINC000423395342 500370546 /nfs/dbraw/zinc/37/05/46/500370546.db2.gz AKHZUCQEKGOOSY-INIZCTEOSA-N 2 0 358.404 3.178 20 0 FGADRP COCC1(C[NH2+][C@H]2CCCC[C@@H]2c2ccc(OC)c(F)c2)CC[NH2+]CC1 ZINC000423407184 500371291 /nfs/dbraw/zinc/37/12/91/500371291.db2.gz LVLMADLDVFUXIA-MJGOQNOKSA-N 2 0 364.505 3.466 20 0 FGADRP COC[C@@]1(CN[C@@H](c2ccc(Br)cc2F)C2CC2)CCC[NH2+]1 ZINC000423408979 500371580 /nfs/dbraw/zinc/37/15/80/500371580.db2.gz BFKDKFXVRKCYTG-SJORKVTESA-N 2 0 371.294 3.398 20 0 FGADRP COC[C@]1(CN[C@H](c2cccc(OC(F)(F)F)c2)C2CC2)CCC[NH2+]1 ZINC000423417231 500372996 /nfs/dbraw/zinc/37/29/96/500372996.db2.gz SCDDIXWSCTWIDV-DLBZAZTESA-N 2 0 358.404 3.395 20 0 FGADRP COC[C@]1(CN[C@H]2CCc3cc(Br)cc(C)c32)CCC[NH2+]1 ZINC000423416902 500373120 /nfs/dbraw/zinc/37/31/20/500373120.db2.gz RLYYXHGPTDRGSN-DOTOQJQBSA-N 2 0 353.304 3.103 20 0 FGADRP C[C@H]([NH2+]C[C@H]1NCCc2ccccc21)c1cccc(OCC[NH+](C)C)c1 ZINC000423436638 500374778 /nfs/dbraw/zinc/37/47/78/500374778.db2.gz SYIKNIVCYVIJBJ-HTAPYJJXSA-N 2 0 353.510 3.165 20 0 FGADRP C[C@H]([NH2+][C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)c1ccc(Cl)c(Cl)c1 ZINC000423450922 500375410 /nfs/dbraw/zinc/37/54/10/500375410.db2.gz HWHUFZMFNDEISR-LSKLOWJMSA-N 2 0 370.324 3.291 20 0 FGADRP CC[N@H+](CCNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1)CCC(F)(F)F ZINC000427272834 500376080 /nfs/dbraw/zinc/37/60/80/500376080.db2.gz DTHLEQCKZDGHGC-OAHLLOKOSA-N 2 0 363.468 3.032 20 0 FGADRP O=C(C[C@@H]1CCC[NH2+]CC1)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000427281010 500377423 /nfs/dbraw/zinc/37/74/23/500377423.db2.gz MZWQIQUCQLXSCY-LJQANCHMSA-N 2 0 365.521 3.264 20 0 FGADRP Fc1ccc([C@@H]2CC[NH2+]C[C@@H]2C[NH2+][C@@H]2CCO[C@H](C(F)(F)F)C2)cc1 ZINC000423476227 500377504 /nfs/dbraw/zinc/37/75/04/500377504.db2.gz QXODQAJTSUILJN-SIXLDLHFSA-N 2 0 360.395 3.218 20 0 FGADRP C[C@H]([NH2+]C[C@@H]1CCC[C@H]([NH3+])C1)c1ccccc1I ZINC000423475094 500377637 /nfs/dbraw/zinc/37/76/37/500377637.db2.gz ZUDJPIVOFNBKBA-XQQFMLRXSA-N 2 0 358.267 3.459 20 0 FGADRP CC(C)(C)CC(=O)N1CCC([NH2+]CC2([NH3+])C3CC4CC(C3)CC2C4)CC1 ZINC000423525282 500382303 /nfs/dbraw/zinc/38/23/03/500382303.db2.gz KHLPJUDPRGLJCT-UHFFFAOYSA-N 2 0 361.574 3.157 20 0 FGADRP CCc1cccnc1[C@@H](C)[NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1 ZINC000423558046 500385002 /nfs/dbraw/zinc/38/50/02/500385002.db2.gz ITMQMNASPRQSLW-GOSISDBHSA-N 2 0 352.526 3.288 20 0 FGADRP CCC1(CC)[C@@H]([NH2+]CC2(N)CC[NH+](Cc3ccccc3)CC2)C[C@@H]1OC ZINC000423554293 500385039 /nfs/dbraw/zinc/38/50/39/500385039.db2.gz HAICAXKPUXARMP-PMACEKPBSA-N 2 0 359.558 3.163 20 0 FGADRP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000579518028 506193274 /nfs/dbraw/zinc/19/32/74/506193274.db2.gz DVSWYTXXEOQQLT-NQIIRXRSSA-N 2 0 368.525 3.109 20 0 FGADRP CC[C@]1(C(=O)N2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)CCC[NH2+]1 ZINC000423851956 500411835 /nfs/dbraw/zinc/41/18/35/500411835.db2.gz RFMCPONZQVMDHB-JOCHJYFZSA-N 2 0 355.526 3.033 20 0 FGADRP CC(C)[C@@H](C(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1)[C@H](C)[NH3+] ZINC000423856403 500413055 /nfs/dbraw/zinc/41/30/55/500413055.db2.gz WUWGJFAOIAUCDV-AZUAARDMSA-N 2 0 357.542 3.121 20 0 FGADRP C[C@@H]1C[C@H](CCNC(=O)C[C@H]2CCCC[C@@H]2[NH3+])C[N@@H+]1Cc1ccccc1 ZINC000423912575 500418247 /nfs/dbraw/zinc/41/82/47/500418247.db2.gz WERLGGJKKDGBDJ-PMXSJFBMSA-N 2 0 357.542 3.311 20 0 FGADRP [NH3+]C1(C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)CCCCC1 ZINC000423914460 500419124 /nfs/dbraw/zinc/41/91/24/500419124.db2.gz XXGGPQXHVAPLRY-PMACEKPBSA-N 2 0 355.526 3.161 20 0 FGADRP C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)[C@H]([NH3+])CC(F)F)cc1 ZINC000582357830 506194735 /nfs/dbraw/zinc/19/47/35/506194735.db2.gz QMROUYWMIANXFB-GOSISDBHSA-N 2 0 361.436 3.014 20 0 FGADRP COc1ccc([C@H](C[NH3+])C[NH+]2CCC(OCCc3ccccc3)CC2)cc1 ZINC000420295918 500435719 /nfs/dbraw/zinc/43/57/19/500435719.db2.gz BDHJYWAKRQIPAR-OAQYLSRUSA-N 2 0 368.521 3.461 20 0 FGADRP C[NH+](C)CCN(Cc1cccs1)C(=O)C[C@H](c1ccccc1)[NH+](C)C ZINC000431864531 500436313 /nfs/dbraw/zinc/43/63/13/500436313.db2.gz JVXOYJAZIWEIBK-LJQANCHMSA-N 2 0 359.539 3.331 20 0 FGADRP FC(F)(F)c1ccc(CN2CCC[N@H+](CC[C@H]3CC[NH2+]C3)CC2)cc1 ZINC000420305586 500438133 /nfs/dbraw/zinc/43/81/33/500438133.db2.gz POSAISVOTWXDHG-MRXNPFEDSA-N 2 0 355.448 3.213 20 0 FGADRP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1ccnc(-c2ccc(Br)cc2)n1 ZINC000420309833 500439115 /nfs/dbraw/zinc/43/91/15/500439115.db2.gz FIVXDVYLNHVTOB-STQMWFEESA-N 2 0 361.287 3.075 20 0 FGADRP O=C(c1cc(Cl)cc(Cl)c1)N1CC[NH+](CC[C@H]2CCC[NH2+]C2)CC1 ZINC000420316599 500439762 /nfs/dbraw/zinc/43/97/62/500439762.db2.gz MRHXKNKLPVSBBR-CQSZACIVSA-N 2 0 370.324 3.141 20 0 FGADRP COc1ccc(-c2noc([C@H](C)[N@@H+]3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)n2)cc1 ZINC000420326420 500441459 /nfs/dbraw/zinc/44/14/59/500441459.db2.gz JXCNZIWXSBAQIV-USXIJHARSA-N 2 0 356.470 3.128 20 0 FGADRP O=C(NCc1ccc(N2CCCC2)nc1)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC000431907727 500442076 /nfs/dbraw/zinc/44/20/76/500442076.db2.gz SSIHNPPVPJYCAI-LJQANCHMSA-N 2 0 356.514 3.095 20 0 FGADRP [NH3+]C[C@H]1C[N@H+](CCCOc2cccc3ccccc32)CC12CCOCC2 ZINC000420332144 500442942 /nfs/dbraw/zinc/44/29/42/500442942.db2.gz RJXRQYHJCRQUMC-IBGZPJMESA-N 2 0 354.494 3.296 20 0 FGADRP CC(C)[C@H](NC(=O)C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1)c1ccc(F)cc1 ZINC000420333885 500443170 /nfs/dbraw/zinc/44/31/70/500443170.db2.gz GABLATJQJWWKHW-CTNGQTDRSA-N 2 0 361.505 3.103 20 0 FGADRP [NH3+]C[C@@H]1C[N@H+](Cc2cc(-c3ccc(Cl)cc3)no2)CC12CCOCC2 ZINC000420334303 500443544 /nfs/dbraw/zinc/44/35/44/500443544.db2.gz UDMLUNMRTDPLTO-OAHLLOKOSA-N 2 0 361.873 3.182 20 0 FGADRP c1ccc(-n2nc(C[NH+]3CCC([C@H]4CCC[NH2+]4)CC3)c3c2CCC3)cc1 ZINC000420340503 500444672 /nfs/dbraw/zinc/44/46/72/500444672.db2.gz SFFOUCLEJXDPRJ-HXUWFJFHSA-N 2 0 350.510 3.325 20 0 FGADRP COc1ccc([C@@H](C[NH3+])CN2CCC[N@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000420362400 500447981 /nfs/dbraw/zinc/44/79/81/500447981.db2.gz ODAMJFPZOOIBGN-KNQAVFIVSA-N 2 0 367.537 3.334 20 0 FGADRP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](CCOc2ccc(F)cc2Cl)CC1 ZINC000420376581 500450448 /nfs/dbraw/zinc/45/04/48/500450448.db2.gz JZAZABGHDZSLHB-SJLPKXTDSA-N 2 0 356.869 3.076 20 0 FGADRP CC(C)(C)c1cccc(OCC[N@@H+]2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)c1 ZINC000420385405 500452325 /nfs/dbraw/zinc/45/23/25/500452325.db2.gz GIJMUYSQEYNNNG-UXHICEINSA-N 2 0 358.526 3.063 20 0 FGADRP Cc1c(Br)cccc1C[NH+]1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000420390500 500454206 /nfs/dbraw/zinc/45/42/06/500454206.db2.gz NRQMOIFLTKRXFI-AEFFLSMTSA-N 2 0 367.331 3.476 20 0 FGADRP Cc1oc(-c2ccsc2)nc1C[NH+]1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000420394580 500454623 /nfs/dbraw/zinc/45/46/23/500454623.db2.gz RXPYWNHXSVKYOL-WMZOPIPTSA-N 2 0 361.511 3.430 20 0 FGADRP Cc1oc(-c2ccsc2)nc1C[NH+]1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000420394577 500454940 /nfs/dbraw/zinc/45/49/40/500454940.db2.gz RXPYWNHXSVKYOL-SJLPKXTDSA-N 2 0 361.511 3.430 20 0 FGADRP C[C@H]([NH2+]CCC1CC[NH2+]CC1)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000420407201 500456734 /nfs/dbraw/zinc/45/67/34/500456734.db2.gz OEXLMYAJUAYAPZ-INIZCTEOSA-N 2 0 352.482 3.374 20 0 FGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000420415287 500457427 /nfs/dbraw/zinc/45/74/27/500457427.db2.gz VARZDKFFGSCMGQ-MSOLQXFVSA-N 3 0 362.537 3.008 20 0 FGADRP C[C@@H]1CC[N@H+](CCC(=O)N[C@@H](c2cccs2)c2ccccc2)C[C@H]1C[NH3+] ZINC000420416286 500457490 /nfs/dbraw/zinc/45/74/90/500457490.db2.gz VRSMNUFMFPKUJJ-HGHGUNKESA-N 2 0 371.550 3.261 20 0 FGADRP COc1ccc([C@H](C)[NH2+]C[C@H](C(C)C)N2CC[NH+](C)CC2)c(Cl)c1 ZINC000424268596 500479328 /nfs/dbraw/zinc/47/93/28/500479328.db2.gz NUWULGWRKPKGDQ-HNAYVOBHSA-N 2 0 353.938 3.271 20 0 FGADRP CC(C)C[C@H](NC(=O)C[N@@H+]1CC2(C[C@H]1C)CC[NH2+]CC2)c1ccccc1 ZINC000424285626 500481200 /nfs/dbraw/zinc/48/12/00/500481200.db2.gz GCSLYFNKESSYBX-QUCCMNQESA-N 2 0 357.542 3.354 20 0 FGADRP C[C@@H]1CC2(C[N@@H+]1CCC(=O)Nc1ccc(Cl)cc1F)CC[NH2+]CC2 ZINC000424284729 500481287 /nfs/dbraw/zinc/48/12/87/500481287.db2.gz DWLKTSJNJBUWNX-CYBMUJFWSA-N 2 0 353.869 3.272 20 0 FGADRP C[C@@H]1CC2(C[N@@H+]1Cc1cc3c(cc1Br)OCO3)CC[NH2+]CC2 ZINC000424297526 500483329 /nfs/dbraw/zinc/48/33/29/500483329.db2.gz SVDSHQSXIMVQCM-GFCCVEGCSA-N 2 0 367.287 3.142 20 0 FGADRP O=C(CCCc1ccccc1)NCC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000424379883 500493879 /nfs/dbraw/zinc/49/38/79/500493879.db2.gz PKRZVMHMNSYMSU-NJDAHSKKSA-N 2 0 357.542 3.026 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)NC1CCC([NH+](C)C)CC1)Cc1ccccc1 ZINC000420775695 500497945 /nfs/dbraw/zinc/49/79/45/500497945.db2.gz CHJYNLFIIVFQFF-XVAXZDLZSA-N 2 0 374.573 3.112 20 0 FGADRP Cc1cc(C[NH3+])cc(NC(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000424433122 500504452 /nfs/dbraw/zinc/50/44/52/500504452.db2.gz IDPBTXSDCMNAES-FQEVSTJZSA-N 2 0 352.482 3.192 20 0 FGADRP COc1ccc(C[NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)cc1OCC(C)C ZINC000432364363 500505560 /nfs/dbraw/zinc/50/55/60/500505560.db2.gz HWRGNQIHLGSSKU-SFHVURJKSA-N 2 0 364.530 3.321 20 0 FGADRP CCOc1cc(C[NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)ccc1OC(F)F ZINC000432364983 500505583 /nfs/dbraw/zinc/50/55/83/500505583.db2.gz OUSNVMIPSVNKFN-OAHLLOKOSA-N 2 0 372.456 3.277 20 0 FGADRP C[NH+](C)C1CCC(NC(=O)NC[C@]2(C)CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000420839716 500513424 /nfs/dbraw/zinc/51/34/24/500513424.db2.gz TURZATLREOOHJQ-AOMIVXANSA-N 2 0 372.557 3.213 20 0 FGADRP c1ccc(C[N@H+]2C[C@@H]3CCCC[C@H]([NH2+]CCCO[C@H]4CCOC4)[C@H]3C2)cc1 ZINC000428473239 500514668 /nfs/dbraw/zinc/51/46/68/500514668.db2.gz LWRWZPVTGBAXNI-MLCQCVOFSA-N 2 0 372.553 3.462 20 0 FGADRP Cc1cc(CNC(=O)N[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)cc(C)n1 ZINC000420857572 500516963 /nfs/dbraw/zinc/51/69/63/500516963.db2.gz ZVBGERBPRASCBQ-PXNSSMCTSA-N 2 0 352.482 3.161 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)NC1CCC([NH+](C)C)CC1 ZINC000420898590 500525472 /nfs/dbraw/zinc/52/54/72/500525472.db2.gz ZIYJFRANRTWNAY-GTROLIPKSA-N 2 0 372.557 3.164 20 0 FGADRP CC[NH+]1CCC(N2CCC[N@@H+]([C@H](C)c3nc4ccccc4o3)CC2)CC1 ZINC000420985858 500548185 /nfs/dbraw/zinc/54/81/85/500548185.db2.gz WZPIJJXUURLPNH-QGZVFWFLSA-N 2 0 356.514 3.381 20 0 FGADRP CSc1ccc(OC[C@H](O)C[NH2+]CC[C@@H](C)[NH+]2CCCCC2)cc1 ZINC000576631394 506202539 /nfs/dbraw/zinc/20/25/39/506202539.db2.gz NZMQUJYHLHHTFF-IAGOWNOFSA-N 2 0 352.544 3.002 20 0 FGADRP O[C@H](C[NH2+][C@H]1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1)C[NH+]1CCCC1 ZINC000442776158 500624778 /nfs/dbraw/zinc/62/47/78/500624778.db2.gz GVIZCRQIBXVYEU-BPQIPLTHSA-N 2 0 356.432 3.388 20 0 FGADRP [NH3+]C1CC[NH+](CCCC(=O)Nc2nc3ccccc3n2C2CCCC2)CC1 ZINC000433156088 500635708 /nfs/dbraw/zinc/63/57/08/500635708.db2.gz HZVYVHCRMIJTPW-UHFFFAOYSA-N 2 0 369.513 3.293 20 0 FGADRP [NH3+]C1CC[NH+](CCCC(=O)N[C@H](Cc2ccccc2)c2cccs2)CC1 ZINC000433160549 500637004 /nfs/dbraw/zinc/63/70/04/500637004.db2.gz VJEOVRCAKHSBAZ-LJQANCHMSA-N 2 0 371.550 3.351 20 0 FGADRP CCCOc1ccc(NC(=O)CCC[NH+]2CCC([NH3+])CC2)cc1Cl ZINC000433162952 500637786 /nfs/dbraw/zinc/63/77/86/500637786.db2.gz WFHJNTHCGLAJFF-UHFFFAOYSA-N 2 0 353.894 3.271 20 0 FGADRP C[C@@H]1C[C@@H]1[C@@H](NC(=O)CCC[NH+]1CCC([NH3+])CC1)c1ccc(Cl)cc1 ZINC000433168093 500638313 /nfs/dbraw/zinc/63/83/13/500638313.db2.gz QGNHRYBPQXJCON-WNYOCNMUSA-N 2 0 363.933 3.357 20 0 FGADRP COc1ccc(OCc2ccccn2)c(C[N@@H+]2CCC[C@H](CC[NH3+])C2)c1 ZINC000442917966 500646445 /nfs/dbraw/zinc/64/64/45/500646445.db2.gz BSHBMVGMSFYQPU-QGZVFWFLSA-N 2 0 355.482 3.230 20 0 FGADRP C[C@@H]1C[NH+](CC2CC[NH+](Cc3c[nH]nc3-c3ccsc3)CC2)C[C@@H](C)O1 ZINC000437688652 500681766 /nfs/dbraw/zinc/68/17/66/500681766.db2.gz BGLZJSDICHGIFW-HZPDHXFCSA-N 2 0 374.554 3.459 20 0 FGADRP C[C@H](c1cc2ccccc2o1)N(C)C(=O)CN1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000573564319 506212559 /nfs/dbraw/zinc/21/25/59/506212559.db2.gz DIMVJCONAZRGBP-UBDQQSCGSA-N 2 0 355.482 3.011 20 0 FGADRP C[NH+](C)CCOc1ccc(CC[NH2+]Cc2ccnn2-c2ccccc2)cc1 ZINC000447938794 500692546 /nfs/dbraw/zinc/69/25/46/500692546.db2.gz CGKUVWMCVZIUTC-UHFFFAOYSA-N 2 0 364.493 3.145 20 0 FGADRP C[C@H](c1nc(-c2ccnc(OCC[NH+](C)C)c2)no1)[NH+]1[C@H](C)CC[C@H]1C ZINC000443203549 500695955 /nfs/dbraw/zinc/69/59/55/500695955.db2.gz MDKMYBDCPHBOOI-RBSFLKMASA-N 2 0 359.474 3.006 20 0 FGADRP Cc1ccccc1CNC(=O)C[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000443602166 500743824 /nfs/dbraw/zinc/74/38/24/500743824.db2.gz IEIIPVJXGPCLGR-UHFFFAOYSA-N 2 0 357.542 3.199 20 0 FGADRP Cc1nc(CN2CCN(CC[N@@H+](C)Cc3ccccc3)CC2)c(C)s1 ZINC000443613739 500745069 /nfs/dbraw/zinc/74/50/69/500745069.db2.gz JBWHXTUHTPRSBY-UHFFFAOYSA-N 2 0 358.555 3.010 20 0 FGADRP CN(c1ccccc1C[N@@H+]1CCO[C@H](C(C)(C)C)C1)C1CC[NH+](C)CC1 ZINC000448354872 500752078 /nfs/dbraw/zinc/75/20/78/500752078.db2.gz LSGMUTRWFSOQGB-NRFANRHFSA-N 2 0 359.558 3.464 20 0 FGADRP C[C@@H]1CN(CC(C)(C)C[N@H+](C)Cc2ccccc2)CC2(CCOCC2)O1 ZINC000448373492 500754586 /nfs/dbraw/zinc/75/45/86/500754586.db2.gz QKIDRCWIDQQDGQ-LJQANCHMSA-N 2 0 360.542 3.415 20 0 FGADRP CC[NH+]1CCN(c2ccccc2C[NH2+]Cc2ccc3c(n2)CCCC3)CC1 ZINC000444012112 500792171 /nfs/dbraw/zinc/79/21/71/500792171.db2.gz UPDWFNNNWBQLSD-UHFFFAOYSA-N 2 0 364.537 3.392 20 0 FGADRP CC1CC[NH+](C[C@@H]2CCCN(C(=O)[C@H]3CCC[N@@H+]3C3CCCC3)C2)CC1 ZINC000438565371 500802434 /nfs/dbraw/zinc/80/24/34/500802434.db2.gz CFEFOFZGMXESHV-PZJWPPBQSA-N 2 0 361.574 3.364 20 0 FGADRP Cc1ccccc1C[NH+]1CCC(NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC000438564683 500802518 /nfs/dbraw/zinc/80/25/18/500802518.db2.gz WFFCCNRSPNCNEH-QFIPXVFZSA-N 2 0 369.553 3.483 20 0 FGADRP CCC[N@H+](CC)Cc1ccc(C(=O)NCc2ccc3c(c2)C[NH2+]C3)cc1 ZINC000444248766 500823923 /nfs/dbraw/zinc/82/39/23/500823923.db2.gz PKUUHRBVYQPMSZ-UHFFFAOYSA-N 2 0 351.494 3.452 20 0 FGADRP O=C([C@@H]1C[C@@]12CC[NH2+]C2)N1CC[N@H+](Cc2ccccc2)C2(CCCCC2)C1 ZINC000444265575 500826499 /nfs/dbraw/zinc/82/64/99/500826499.db2.gz AYEBPTJGPCZNRD-RBBKRZOGSA-N 2 0 367.537 3.033 20 0 FGADRP CC(C)[N@@H+]1CCC[C@H](NC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000444311965 500833385 /nfs/dbraw/zinc/83/33/85/500833385.db2.gz JTDYBLNYLIDFPY-FQEVSTJZSA-N 2 0 357.542 3.278 20 0 FGADRP CCC(CC)[C@H](CNC(=O)NCC1CC[NH+](C2CC2)CC1)[NH+]1CCCC1 ZINC000444871119 500914291 /nfs/dbraw/zinc/91/42/91/500914291.db2.gz FERBVKRYWHCMBC-FQEVSTJZSA-N 2 0 364.578 3.061 20 0 FGADRP CCOC(=O)c1cc(C[NH2+]CCCN2CCc3ccccc3C2)[nH]c1C ZINC000449069745 500916496 /nfs/dbraw/zinc/91/64/96/500916496.db2.gz HZNAEOQYWXWJEZ-UHFFFAOYSA-N 2 0 355.482 3.038 20 0 FGADRP C[C@H]1[C@H](NC(=O)N(CC[NH+](C)C)C2CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000582439978 506224105 /nfs/dbraw/zinc/22/41/05/506224105.db2.gz YLYWZOZEFAJTAV-GHTZIAJQSA-N 2 0 372.557 3.165 20 0 FGADRP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]CCCOC2CCOCC2)CC1 ZINC000449160742 500937432 /nfs/dbraw/zinc/93/74/32/500937432.db2.gz MZOKGZVRXHMZAU-IBGZPJMESA-N 2 0 360.542 3.257 20 0 FGADRP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]C[C@@H](CO)c2ccccc2)CC1 ZINC000449167638 500938974 /nfs/dbraw/zinc/93/89/74/500938974.db2.gz AVSIFXDSOLVJBJ-UGKGYDQZSA-N 2 0 352.522 3.448 20 0 FGADRP COc1cc(C[NH2+]C2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)cc2ccccc21 ZINC000449183783 500943213 /nfs/dbraw/zinc/94/32/13/500943213.db2.gz CNGCHBUVTRIXQX-NHCUHLMSSA-N 2 0 354.494 3.316 20 0 FGADRP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]CCC(=O)N2CCCCCC2)CC1 ZINC000449217722 500950681 /nfs/dbraw/zinc/95/06/81/500950681.db2.gz BGDUWRANPRGYIL-FQEVSTJZSA-N 2 0 371.569 3.464 20 0 FGADRP O=C(NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)[C@H]1CCC[NH+]1C1CCCC1 ZINC000439965191 500960885 /nfs/dbraw/zinc/96/08/85/500960885.db2.gz ZUDYZLIZKOXDSW-LEWJYISDSA-N 2 0 355.526 3.174 20 0 FGADRP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1cn(Cc2ccccc2)nc1-c1cccnc1 ZINC000435373665 500962345 /nfs/dbraw/zinc/96/23/45/500962345.db2.gz NWZLTAQILDHRET-MJGOQNOKSA-N 2 0 361.493 3.163 20 0 FGADRP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1cnn(Cc2ccc(C(F)(F)F)cc2)c1 ZINC000435373749 500962431 /nfs/dbraw/zinc/96/24/31/500962431.db2.gz OLKKONUPICHZOI-HIFRSBDPSA-N 2 0 352.404 3.119 20 0 FGADRP C[C@@H]1C[C@H](NC(=O)c2ccccc2OCC[N@H+]2CCCC[C@H]2C)CC[NH+]1C ZINC000607689580 506227068 /nfs/dbraw/zinc/22/70/68/506227068.db2.gz DHSGWOPTECHZBE-GUDVDZBRSA-N 2 0 373.541 3.152 20 0 FGADRP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+][C@@H](CO)C[C@@H](O)C(C)(C)C)CC1 ZINC000449313024 500974299 /nfs/dbraw/zinc/97/42/99/500974299.db2.gz OBALCNDJRBCENI-QZTJIDSGSA-N 2 0 356.595 3.413 20 0 FGADRP COc1cccc2c(C[N@@H+]3CCN(C4CC[NH+](C)CC4)[C@H](C)C3)cccc12 ZINC000449323636 500978074 /nfs/dbraw/zinc/97/80/74/500978074.db2.gz ABJFFGMVKSFUCM-GOSISDBHSA-N 2 0 367.537 3.449 20 0 FGADRP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]C[C@H](O)Cc2cccc(F)c2)CC1 ZINC000449363709 500987869 /nfs/dbraw/zinc/98/78/69/500987869.db2.gz QIKQUMZNLOYUOK-WZONZLPQSA-N 2 0 370.512 3.414 20 0 FGADRP Cc1cc([C@@H](C)NC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)ccc1F ZINC000435527031 500988290 /nfs/dbraw/zinc/98/82/90/500988290.db2.gz KLARHQOEBFUYIV-QGZVFWFLSA-N 2 0 366.525 3.110 20 0 FGADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N(Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000435562897 500992430 /nfs/dbraw/zinc/99/24/30/500992430.db2.gz JTYXHTORWCAZIB-NUJGCVRESA-N 2 0 361.555 3.092 20 0 FGADRP CC(C)(C)CC(C)(C)[NH+]1CCC(NC[C@@H]2CCCC[N@@H+]2CCO)CC1 ZINC000449398587 500994216 /nfs/dbraw/zinc/99/42/16/500994216.db2.gz VUERYVODCPMBPX-IBGZPJMESA-N 2 0 353.595 3.102 20 0 FGADRP CCN(CC(=O)N[C@H](c1cccs1)C(C)(C)C)[C@H]1CCC[NH2+]CC1 ZINC000435615638 501002592 /nfs/dbraw/zinc/00/25/92/501002592.db2.gz ILOOEONGHJXSKG-MAUKXSAKSA-N 2 0 351.560 3.416 20 0 FGADRP CC[N@H+](CCC(=O)Nc1cccc(Br)c1)[C@@H]1CCC[NH2+]CC1 ZINC000435630581 501004211 /nfs/dbraw/zinc/00/42/11/501004211.db2.gz XMSCNRYOCJETKQ-MRXNPFEDSA-N 2 0 368.319 3.242 20 0 FGADRP COc1cc(OC)c(C[C@H](C)[NH2+]C2CC[NH+](C(C)(C)C)CC2)c(OC)c1 ZINC000449469355 501010907 /nfs/dbraw/zinc/01/09/07/501010907.db2.gz TWKGFPNNCCNCHP-HNNXBMFYSA-N 2 0 364.530 3.496 20 0 FGADRP CC[NH+]1CCN(c2ccccc2C[NH2+]C[C@@H]2CCOC3(CCC3)C2)CC1 ZINC000449480757 501013754 /nfs/dbraw/zinc/01/37/54/501013754.db2.gz ZMXUXKQFWMQROU-LJQANCHMSA-N 2 0 357.542 3.267 20 0 FGADRP [NH3+]Cc1cc(NC(=O)[C@]2(c3ccccc3)CC[NH2+]C2)cc(C(F)(F)F)c1 ZINC000449506390 501020504 /nfs/dbraw/zinc/02/05/04/501020504.db2.gz SFRSKOAPOOXBLW-GOSISDBHSA-N 2 0 363.383 3.034 20 0 FGADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CC2(CCOCC2)[C@@H]2CCC[C@@H]21 ZINC000449523245 501024916 /nfs/dbraw/zinc/02/49/16/501024916.db2.gz YCZHGYPRNUQROI-UXHICEINSA-N 2 0 352.482 3.357 20 0 FGADRP C[NH+](C)CC1CC[NH+](CCOc2cc(F)cc(Br)c2)CC1 ZINC000445802810 501034455 /nfs/dbraw/zinc/03/44/55/501034455.db2.gz PKUPKLDKNSSZLR-UHFFFAOYSA-N 2 0 359.283 3.241 20 0 FGADRP C[C@H]1C[C@H](CCNC(=O)NCC2([NH+](C)C)CCC2)C[N@@H+]1Cc1ccccc1 ZINC000445875571 501045109 /nfs/dbraw/zinc/04/51/09/501045109.db2.gz OBXPOKAKPULVDH-ICSRJNTNSA-N 2 0 372.557 3.071 20 0 FGADRP CC(C)[NH+]1CCC(NC(=O)NCC[NH+]2CCC3(CCCCC3)CC2)CC1 ZINC000441006128 501074230 /nfs/dbraw/zinc/07/42/30/501074230.db2.gz BRJXEIJCYVVOIW-UHFFFAOYSA-N 2 0 364.578 3.205 20 0 FGADRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2ccc(F)c(Br)c2)CC1 ZINC000449747960 501074766 /nfs/dbraw/zinc/07/47/66/501074766.db2.gz AAPDBJAFUZLMKA-UHFFFAOYSA-N 2 0 372.326 3.094 20 0 FGADRP Fc1cccc2[nH]c(C[NH2+]CCN3CC[NH+](Cc4ccccc4)CC3)cc21 ZINC000436272797 501099367 /nfs/dbraw/zinc/09/93/67/501099367.db2.gz SQGXUCWMWJBQBM-UHFFFAOYSA-N 2 0 366.484 3.214 20 0 FGADRP C[C@H](C[NH2+]CCN1CC[N@H+](C)C(C)(C)C1)c1cccc(Br)c1 ZINC000441348726 501125539 /nfs/dbraw/zinc/12/55/39/501125539.db2.gz CVWYOZULAGBXMU-OAHLLOKOSA-N 2 0 368.363 3.168 20 0 FGADRP Cc1ccc([C@@H](CNC(=O)N(C)CC2([NH+](C)C)CCC2)[NH+]2CCCC2)cc1 ZINC000446523403 501129446 /nfs/dbraw/zinc/12/94/46/501129446.db2.gz QFEWESKBTITGQP-HXUWFJFHSA-N 2 0 372.557 3.258 20 0 FGADRP CCC[NH+]1CCC(C[NH2+][C@@H](CCn2cncn2)c2ccc(OC)cc2)CC1 ZINC000446819203 501167996 /nfs/dbraw/zinc/16/79/96/501167996.db2.gz WFCKRJZNYSDUHV-NRFANRHFSA-N 2 0 371.529 3.130 20 0 FGADRP COc1ccc([C@H](CCn2cncn2)[NH2+]C2CC[NH+](C(C)(C)C)CC2)cc1 ZINC000446940100 501183335 /nfs/dbraw/zinc/18/33/35/501183335.db2.gz RLRZPUZWNAYEKF-FQEVSTJZSA-N 2 0 371.529 3.271 20 0 FGADRP Cc1ncsc1C[NH+](C)C[C@@H]1CCN(C[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC000450878764 501223175 /nfs/dbraw/zinc/22/31/75/501223175.db2.gz TXOCNTBSNWZYNZ-OALUTQOASA-N 2 0 364.603 3.468 20 0 FGADRP Cc1cnc(CC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)nc1 ZINC000453179888 501286344 /nfs/dbraw/zinc/28/63/44/501286344.db2.gz PPQOVOHSAFZTKM-HBMCJLEFSA-N 2 0 350.510 3.360 20 0 FGADRP COC1([C@H](C)[NH2+]C[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)CCOCC1 ZINC000453254632 501300818 /nfs/dbraw/zinc/30/08/18/501300818.db2.gz PJPKYSDLQCPVOZ-FPOVZHCZSA-N 2 0 360.542 3.462 20 0 FGADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+][C@H]1CCc2nc(-c3ccc(F)cc3F)cn2C1 ZINC000453380063 501322327 /nfs/dbraw/zinc/32/23/27/501322327.db2.gz ZMDUYSGSQBWCDU-GTACMHHNSA-N 2 0 374.479 3.461 20 0 FGADRP Cc1cnc(CC[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)cn1 ZINC000453407025 501325776 /nfs/dbraw/zinc/32/57/76/501325776.db2.gz RRAJHRNSROWPJL-ILWGZMRPSA-N 2 0 350.510 3.218 20 0 FGADRP CC[C@@H]1CN(C(=O)NCCCC[NH+](C)C2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000455601092 501343852 /nfs/dbraw/zinc/34/38/52/501343852.db2.gz BZGOQCJZQIMGFN-HXUWFJFHSA-N 2 0 372.557 3.167 20 0 FGADRP C[S@@](=O)C1(C[NH2+]C[C@@]2(C(C)(C)C)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000602656246 506247440 /nfs/dbraw/zinc/24/74/40/506247440.db2.gz NKVODTHHBGUKGJ-NBGIEHNGSA-N 2 0 362.583 3.426 20 0 FGADRP C[C@@H](C(=O)N(CC[NH+](C)C)Cc1ccsc1)[N@H+](C)Cc1ccccc1 ZINC000458194968 501389582 /nfs/dbraw/zinc/38/95/82/501389582.db2.gz BJNGKLKXKNZKLW-KRWDZBQOSA-N 2 0 359.539 3.159 20 0 FGADRP C[NH+](C)CC1CCC(NC(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)CC1 ZINC000455939818 501421252 /nfs/dbraw/zinc/42/12/52/501421252.db2.gz SZZJYUNYEIKQBS-MKJPBZQASA-N 2 0 358.530 3.477 20 0 FGADRP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)N(CC[NH+](C)C)Cc1ccsc1 ZINC000458338265 501423187 /nfs/dbraw/zinc/42/31/87/501423187.db2.gz HQQYUBHOZWDSBN-CALCHBBNSA-N 2 0 366.575 3.084 20 0 FGADRP C[C@H]([NH2+]C(C)(C)CNC(=O)N1CC[C@]2(C1)CCC[N@H+](C)C2)c1ccccc1 ZINC000458381087 501431642 /nfs/dbraw/zinc/43/16/42/501431642.db2.gz VOPCQUPYLKDMNN-PGRDOPGGSA-N 2 0 372.557 3.243 20 0 FGADRP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)NC2CC[NH+]([C@@H](C)c3ccccc3)CC2)C1 ZINC000458416578 501439823 /nfs/dbraw/zinc/43/98/23/501439823.db2.gz QIXQCSUXIJMOEQ-GHTZIAJQSA-N 2 0 372.557 3.336 20 0 FGADRP CC[N@H+](Cc1ccc(C(=O)N2CC[NH+](C3CC3)C[C@@H](C)C2)cc1)C1CC1 ZINC000452170072 501451529 /nfs/dbraw/zinc/45/15/29/501451529.db2.gz KDKZKSRHOABTSZ-QGZVFWFLSA-N 2 0 355.526 3.227 20 0 FGADRP Cn1cncc1CCC[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000582495041 506254575 /nfs/dbraw/zinc/25/45/75/506254575.db2.gz UMYMYUDRIYGHMO-RBBKRZOGSA-N 2 0 352.526 3.339 20 0 FGADRP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)N[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C)C1 ZINC000458519183 501464774 /nfs/dbraw/zinc/46/47/74/501464774.db2.gz WCDFCTBHJUHCAR-NRSPTQNISA-N 2 0 372.557 3.021 20 0 FGADRP CCC[NH+]1CCC(NC(=O)NCC2([N@H+](C)Cc3ccccc3)CCC2)CC1 ZINC000454214217 501484147 /nfs/dbraw/zinc/48/41/47/501484147.db2.gz DMPLABSSBDEBCF-UHFFFAOYSA-N 2 0 372.557 3.215 20 0 FGADRP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H](C)[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000458689415 501508655 /nfs/dbraw/zinc/50/86/55/501508655.db2.gz SSDAQFLKZRALHV-JBACZVJFSA-N 2 0 372.557 3.021 20 0 FGADRP Cc1ccccc1[C@H]([C@@H](C)NC(=O)NCCCC[N@H+](C)C1CC1)[NH+](C)C ZINC000458759398 501524421 /nfs/dbraw/zinc/52/44/21/501524421.db2.gz GHOYKTJVUDVVIU-XLIONFOSSA-N 2 0 360.546 3.160 20 0 FGADRP CC[NH+](CC)C[C@H]1CCCC[C@H]1NC(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000459093354 501592818 /nfs/dbraw/zinc/59/28/18/501592818.db2.gz GOBSXBFSOVJTDI-YLJYHZDGSA-N 2 0 364.578 3.203 20 0 FGADRP CSC[C@H](O)C[N@@H+]1CC(C)(C)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000453027471 501604060 /nfs/dbraw/zinc/60/40/60/501604060.db2.gz VMWKMDSTFJYLSJ-UXHICEINSA-N 2 0 362.583 3.333 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)NCC[C@@H]2CCC[NH+](C)C2)C1 ZINC000459268538 501622291 /nfs/dbraw/zinc/62/22/91/501622291.db2.gz SENRKRZTBPPHQJ-AABGKKOBSA-N 2 0 364.578 3.014 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)[C@H](C)CN1C(=O)NCC[C@@H]1CCC[NH+](C)C1 ZINC000459326200 501631731 /nfs/dbraw/zinc/63/17/31/501631731.db2.gz WVFRFLHQDOELRW-SBHAEUEKSA-N 2 0 372.557 3.023 20 0 FGADRP Cc1ccc(NC(=O)NC(C)(C)CCC[NH+](C)C)c(OCC[NH+](C)C)c1 ZINC000454837315 501640187 /nfs/dbraw/zinc/64/01/87/501640187.db2.gz LMBHGWAIPWCOJL-UHFFFAOYSA-N 2 0 364.534 3.177 20 0 FGADRP Cc1cc(C[NH2+]CCc2ccc(OCC[NH+]3C[C@H](C)[C@@H](C)C3)cc2)no1 ZINC000459457650 501657339 /nfs/dbraw/zinc/65/73/39/501657339.db2.gz GMJYVHRNFPNOKR-IRXDYDNUSA-N 2 0 357.498 3.282 20 0 FGADRP C[N@@H+]1CCC[C@@H](CC[NH2+]Cc2cn(-c3cccc(Cl)c3Cl)nn2)C1 ZINC000459739387 501706871 /nfs/dbraw/zinc/70/68/71/501706871.db2.gz SLPKBDPBHNCRQQ-ZDUSSCGKSA-N 2 0 368.312 3.396 20 0 FGADRP CC[C@H]1C[N@H+](CC)CCN1C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000457495790 501710390 /nfs/dbraw/zinc/71/03/90/501710390.db2.gz ROQZZRUHQMFRHF-IRXDYDNUSA-N 2 0 364.559 3.011 20 0 FGADRP CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@@H](C[NH+]1CCCC1)c1ccc(OC)cc1 ZINC000477618922 501739014 /nfs/dbraw/zinc/73/90/14/501739014.db2.gz AZSKTZNAKUDWIY-APWZRJJASA-N 2 0 361.530 3.115 20 0 FGADRP C[NH+](C)CC1(C(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)CCCCC1 ZINC000460186394 501753344 /nfs/dbraw/zinc/75/33/44/501753344.db2.gz XZGLEZVGAJONRO-NRFANRHFSA-N 2 0 371.569 3.179 20 0 FGADRP CCC(=O)N1CC[C@H]([NH2+][C@@H]2CCCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000485234098 501764276 /nfs/dbraw/zinc/76/42/76/501764276.db2.gz IYRPTQFRKJJTLF-CIAFKFPVSA-N 2 0 369.553 3.278 20 0 FGADRP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](C[C@@H](O)Cc2ccc3ccccc3c2)C1 ZINC000470774019 501798416 /nfs/dbraw/zinc/79/84/16/501798416.db2.gz QRQOFUJUOMXDIW-REWPJTCUSA-N 2 0 352.522 3.407 20 0 FGADRP C[N@@H+]1CCCC[C@@H]1CCC(=O)NCC(C)(C)[NH+]1CCc2ccccc2C1 ZINC000481531392 501804797 /nfs/dbraw/zinc/80/47/97/501804797.db2.gz UYZLNANRMOPBSG-HXUWFJFHSA-N 2 0 357.542 3.204 20 0 FGADRP C[C@H]([NH2+]C1(CNC(=O)NCC[N@H+]2CC=CCC2)CCCC1)c1ccccc1 ZINC000474370718 501809599 /nfs/dbraw/zinc/80/95/99/501809599.db2.gz WLTLQEBQPISVLE-IBGZPJMESA-N 2 0 370.541 3.211 20 0 FGADRP CCS[C@H]1CCCC[N@H+](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000460385786 501811012 /nfs/dbraw/zinc/81/10/12/501811012.db2.gz GCWSVTBCFSEHOF-OALUTQOASA-N 2 0 363.571 3.013 20 0 FGADRP CN(C(=O)NCC[NH+](C)C1CCCC1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000470893026 501844368 /nfs/dbraw/zinc/84/43/68/501844368.db2.gz QCWBAQONXGAEPW-OAQYLSRUSA-N 2 0 372.557 3.167 20 0 FGADRP Cc1ccc(CCC[NH2+]CCCN2CC[N@@H+](C)C[C@H]2c2ccccc2)cn1 ZINC000474470446 501847357 /nfs/dbraw/zinc/84/73/57/501847357.db2.gz RVGUQKPMWDBDJF-QHCPKHFHSA-N 2 0 366.553 3.291 20 0 FGADRP C[C@@H]1C[NH+](CCCCC[N@@H+]2C[C@@H](C3CC3)O[C@@H](C)C2)C[C@H](C2CC2)O1 ZINC000470921798 501856369 /nfs/dbraw/zinc/85/63/69/501856369.db2.gz CRZRDYQMRZAGSM-ALFLXDJESA-N 2 0 350.547 3.155 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccc2sccc2c1 ZINC000471021733 501893179 /nfs/dbraw/zinc/89/31/79/501893179.db2.gz JYBRRQOUACQZCM-SFHVURJKSA-N 2 0 359.539 3.389 20 0 FGADRP C[C@H](Cc1ccccc1C(F)(F)F)[NH2+]C[C@H](O)C[NH+]1CCC(C)CC1 ZINC000481904015 501913925 /nfs/dbraw/zinc/91/39/25/501913925.db2.gz JMPAEEXDOGUDTG-WBVHZDCISA-N 2 0 358.448 3.319 20 0 FGADRP COc1ccccc1[C@H](CNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C)[NH+]1CCCCC1 ZINC000468014047 501929074 /nfs/dbraw/zinc/92/90/74/501929074.db2.gz NIJTXJJOMZCMOR-BJLQDIEVSA-N 2 0 373.541 3.211 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)CC(=O)NCCc2ccc(C(C)(C)C)cc2)[C@@H](C)C1 ZINC000471235405 501963056 /nfs/dbraw/zinc/96/30/56/501963056.db2.gz OZPPEWMQGULTPZ-RXVVDRJESA-N 2 0 373.585 3.305 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)CC(=O)NCCc2ccc(C(C)(C)C)cc2)[C@H](C)C1 ZINC000471235404 501963492 /nfs/dbraw/zinc/96/34/92/501963492.db2.gz OZPPEWMQGULTPZ-NQIIRXRSSA-N 2 0 373.585 3.305 20 0 FGADRP CC[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@H](Cc3ccc(C(C)C)cc3)C2)CC1 ZINC000460967135 501973740 /nfs/dbraw/zinc/97/37/40/501973740.db2.gz CGHPORHMFLNVFG-HXUWFJFHSA-N 2 0 371.569 3.275 20 0 FGADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC000485891760 501978483 /nfs/dbraw/zinc/97/84/83/501978483.db2.gz BXTNBQCWYAZTTM-PXNSSMCTSA-N 2 0 351.494 3.314 20 0 FGADRP CC(C)CC[NH+]1CCC(CNC(=O)CC[N@@H+]2CCc3ccccc3C2)CC1 ZINC000471350874 501995484 /nfs/dbraw/zinc/99/54/84/501995484.db2.gz PVVJOGFATGBIKB-UHFFFAOYSA-N 2 0 371.569 3.309 20 0 FGADRP CCN(C(=O)NCCC[NH+]1CCCC1)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000471372733 502002388 /nfs/dbraw/zinc/00/23/88/502002388.db2.gz HZUZPHOJQQLEFF-PZJWPPBQSA-N 2 0 372.557 3.339 20 0 FGADRP CN(CC[C@H]1CCC[N@@H+]1C)[C@@H]1CCCC[C@@H]1[NH+](C)CC[C@H]1CCC[NH+]1C ZINC000464494285 502004646 /nfs/dbraw/zinc/00/46/46/502004646.db2.gz AKISQLBYHPFWKA-YSFYHYPLSA-N 3 0 364.622 3.130 20 0 FGADRP C[NH+](C)CCOc1ccccc1C[NH2+]CCCc1ccc2c(c1)CCO2 ZINC000482235050 502014420 /nfs/dbraw/zinc/01/44/20/502014420.db2.gz PNILLBZDDXVAKR-UHFFFAOYSA-N 2 0 354.494 3.284 20 0 FGADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)N[C@H]1CCCCC12CCCC2 ZINC000464538776 502021302 /nfs/dbraw/zinc/02/13/02/502021302.db2.gz RJMDUMXMSVNPRU-IBGZPJMESA-N 2 0 366.594 3.404 20 0 FGADRP CCCN(C(=O)[C@@H]1C[NH+](C)C[C@H]1C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000486027832 502024107 /nfs/dbraw/zinc/02/41/07/502024107.db2.gz KVWMDCVJWASXMJ-HLAWJBBLSA-N 2 0 357.542 3.087 20 0 FGADRP CC[N@H+](CCc1cccs1)CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000475041708 502032027 /nfs/dbraw/zinc/03/20/27/502032027.db2.gz RSBINECFUCUYBY-LJQANCHMSA-N 2 0 359.539 3.032 20 0 FGADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000468430295 502057011 /nfs/dbraw/zinc/05/70/11/502057011.db2.gz SYUSKJOTAWIJSZ-QYZOEREBSA-N 2 0 357.542 3.408 20 0 FGADRP CCc1ccc([C@H](C)[NH2+]CCCC[NH+]2CCN(c3ncccn3)CC2)s1 ZINC000482436586 502067253 /nfs/dbraw/zinc/06/72/53/502067253.db2.gz BZVIXAGSRCJMEO-KRWDZBQOSA-N 2 0 373.570 3.354 20 0 FGADRP C[C@H](CNC(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCCC[C@H]1C ZINC000471615277 502089353 /nfs/dbraw/zinc/08/93/53/502089353.db2.gz QRMNGGYALXWZIX-SFHLNBCPSA-N 2 0 372.557 3.071 20 0 FGADRP CCCN(CCC[NH+](C)C)C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000468544298 502099625 /nfs/dbraw/zinc/09/96/25/502099625.db2.gz VQNSWDVMBVFCJH-HXUWFJFHSA-N 2 0 360.546 3.024 20 0 FGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+][C@@H](COC)C(C)C)CC1 ZINC000482568757 502113306 /nfs/dbraw/zinc/11/33/06/502113306.db2.gz JCHGKPQWAAXYSF-LPHOPBHVSA-N 2 0 351.510 3.289 20 0 FGADRP C[C@H]1C[N@H+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)C[C@@H](C2CC2)O1 ZINC000475277164 502116121 /nfs/dbraw/zinc/11/61/21/502116121.db2.gz DKAUNUALKUJAND-JTSKRJEESA-N 2 0 357.542 3.216 20 0 FGADRP C[C@H](CC(=O)N1CCCC[C@@H]1[C@H](C[NH3+])Cc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000471790053 502137818 /nfs/dbraw/zinc/13/78/18/502137818.db2.gz FZCWGEQJPLNJDL-PSWRPDDJSA-N 2 0 371.569 3.211 20 0 FGADRP CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000475377141 502153658 /nfs/dbraw/zinc/15/36/58/502153658.db2.gz ZUVJSASPPJSBKA-DCCYDQLOSA-N 2 0 364.578 3.203 20 0 FGADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)NCC(C)(C)[NH+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000464953617 502154166 /nfs/dbraw/zinc/15/41/66/502154166.db2.gz PJBJNCQKOBNCFI-CEXWTWQISA-N 2 0 366.594 3.020 20 0 FGADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)N[C@H]2CC[NH+]([C@H](C)c3ccccc3)C2)C1 ZINC000464955439 502156145 /nfs/dbraw/zinc/15/61/45/502156145.db2.gz UNLPVGYBLCGONA-SBHAEUEKSA-N 2 0 372.557 3.099 20 0 FGADRP COc1cc(Cl)ccc1C[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000482820394 502187884 /nfs/dbraw/zinc/18/78/84/502187884.db2.gz AQOKFASDYJWVJB-UHFFFAOYSA-N 2 0 365.949 3.198 20 0 FGADRP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@@H](C[NH3+])c2ccc(F)cc2)CC1 ZINC000479223099 502197683 /nfs/dbraw/zinc/19/76/83/502197683.db2.gz LFGSRSNJFZPADW-IERDGZPVSA-N 2 0 369.484 3.210 20 0 FGADRP Oc1cc(F)cc(C[NH2+]CCc2ccc(OCC[NH+]3CCCC3)cc2)c1 ZINC000472039629 502206824 /nfs/dbraw/zinc/20/68/24/502206824.db2.gz XUZJUVPBIGFIJH-UHFFFAOYSA-N 2 0 358.457 3.338 20 0 FGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)Nc1ccc(OCC[NH+]2CC[C@H](C)C2)cc1 ZINC000465196953 502211911 /nfs/dbraw/zinc/21/19/11/502211911.db2.gz QEMPJXXVJBGQOZ-FXAWDEMLSA-N 2 0 359.514 3.220 20 0 FGADRP CCN(CCC[NH+](CC)CC)C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000472051711 502212074 /nfs/dbraw/zinc/21/20/74/502212074.db2.gz IJKSCEKNBNLTMR-PMACEKPBSA-N 2 0 360.546 3.195 20 0 FGADRP C[C@H]1C[C@@H](NC(=O)c2ccccc2C[NH+](C)C)C[N@@H+]1Cc1ccccc1 ZINC000486643305 502218212 /nfs/dbraw/zinc/21/82/12/502218212.db2.gz VXKVKJCCZUIXCQ-FXAWDEMLSA-N 2 0 351.494 3.141 20 0 FGADRP CCN(CCC[NH+]1CCCC1)C(=O)N[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000472072552 502219453 /nfs/dbraw/zinc/21/94/53/502219453.db2.gz FIFVAWOVIZMDPE-CTNGQTDRSA-N 2 0 372.557 3.167 20 0 FGADRP CC(C)(CNC(=O)[C@H]1CCCC[N@@H+]1Cc1ccccc1)C[NH+]1CCCC1 ZINC000482946699 502224428 /nfs/dbraw/zinc/22/44/28/502224428.db2.gz LMOQNGCNTUQGNL-HXUWFJFHSA-N 2 0 357.542 3.279 20 0 FGADRP O=C(N[C@@H]1CC[N@H+](CC2CCCC2)C1)[C@H]1CCCCN1Cc1ccccc1 ZINC000468915061 502227846 /nfs/dbraw/zinc/22/78/46/502227846.db2.gz KKBNFMHKNPBDNA-FGZHOGPDSA-N 2 0 369.553 3.422 20 0 FGADRP CCN(CCC[NH+]1CCCC1)C(=O)NC[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000472109828 502234681 /nfs/dbraw/zinc/23/46/81/502234681.db2.gz DWBIZZGUBWYEFF-AZUAARDMSA-N 2 0 352.567 3.014 20 0 FGADRP CC[NH+](CC)CCN(Cc1ccccc1)C(=O)C1CC[NH+](C(C)C)CC1 ZINC000461959399 502253428 /nfs/dbraw/zinc/25/34/28/502253428.db2.gz PFYSEOHACUPHRZ-UHFFFAOYSA-N 2 0 359.558 3.477 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H](C)CCc1ccccc1 ZINC000465435657 502262027 /nfs/dbraw/zinc/26/20/27/502262027.db2.gz BPUOMAHUPFSBMW-TZIWHRDSSA-N 2 0 374.573 3.065 20 0 FGADRP CC[N@H+](CCC1CCN(C(=O)CC2CC[NH+](C)CC2)CC1)CC(C)C ZINC000486832276 502278642 /nfs/dbraw/zinc/27/86/42/502278642.db2.gz GXKFPLRHFUZIGH-UHFFFAOYSA-N 2 0 351.579 3.325 20 0 FGADRP C[C@H](CC[NH+](C)C)NC(=O)N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000479502588 502278721 /nfs/dbraw/zinc/27/87/21/502278721.db2.gz PQXKYSBNQDZEIN-QZTJIDSGSA-N 2 0 352.567 3.013 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H](NC[C@H]2CCC[NH+]2Cc2ccccc2)[C@H](C)C1 ZINC000483118228 502278805 /nfs/dbraw/zinc/27/88/05/502278805.db2.gz KIJZVHMMSBSZLD-MZYLBHOOSA-N 2 0 373.585 3.378 20 0 FGADRP C[C@@H]1C[C@@H](NC(=O)N2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)CC[NH+]1C ZINC000479537705 502290143 /nfs/dbraw/zinc/29/01/43/502290143.db2.gz OHAIULJYAAXFIP-GGPKGHCWSA-N 2 0 364.578 3.155 20 0 FGADRP Cc1cc2[nH]c(C[NH2+]C3CCN(C4CC[NH+](C)CC4)CC3)cc2c(C)c1 ZINC000479555422 502295954 /nfs/dbraw/zinc/29/59/54/502295954.db2.gz DVJTVNDWFKJJIS-UHFFFAOYSA-N 2 0 354.542 3.433 20 0 FGADRP CC[NH+](CC)CCO[C@@H]1CCN([C@H](C)C(=O)Nc2cc(C)cc(C)c2)C1 ZINC000472281538 502296747 /nfs/dbraw/zinc/29/67/47/502296747.db2.gz UHNBYDUIPPNAGE-UYAOXDASSA-N 2 0 361.530 3.063 20 0 FGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]C2CCN(c3cccc(C)n3)CC2)[C@H](C)C1 ZINC000483176029 502302880 /nfs/dbraw/zinc/30/28/80/502302880.db2.gz JKXGSEYVWPLUHJ-WIYYLYMNSA-N 3 0 374.573 3.085 20 0 FGADRP CC[N@H+](Cc1ccc(C(=O)N(C)[C@H](C)C2CC[NH+](C)CC2)cc1)C1CC1 ZINC000479591477 502309236 /nfs/dbraw/zinc/30/92/36/502309236.db2.gz WSSNGRAWGBRVPC-QGZVFWFLSA-N 2 0 357.542 3.473 20 0 FGADRP C[C@H]1CCC[N@H+](CCCCNC(=O)N[C@@H]2CC[NH+](CC3CCCC3)C2)C1 ZINC000465606863 502322980 /nfs/dbraw/zinc/32/29/80/502322980.db2.gz QYGFYXXGFJEZIO-AZUAARDMSA-N 2 0 364.578 3.062 20 0 FGADRP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000465623899 502328682 /nfs/dbraw/zinc/32/86/82/502328682.db2.gz GMPXEPUMUOKFOB-SFHVURJKSA-N 2 0 352.567 3.157 20 0 FGADRP CCN(CC[NH+]1CCCCCC1)C(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000479681527 502342729 /nfs/dbraw/zinc/34/27/29/502342729.db2.gz DOMGYASQYMRCHB-HXUWFJFHSA-N 2 0 366.594 3.406 20 0 FGADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@H]2CC[NH+]([C@H](C)c3ccccc3)C2)C1 ZINC000465746200 502368007 /nfs/dbraw/zinc/36/80/07/502368007.db2.gz DWZNMIWRMUSDBZ-DYXWJJEUSA-N 2 0 372.557 3.195 20 0 FGADRP CC[NH+]1CCC(CCNC(=O)NCC(C)(C)[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000465752939 502371342 /nfs/dbraw/zinc/37/13/42/502371342.db2.gz KDXDEOQELXDXDG-ROUUACIJSA-N 2 0 366.594 3.164 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc2cccc(F)c2o1 ZINC000607897671 506309978 /nfs/dbraw/zinc/30/99/78/506309978.db2.gz VQGHARLFNSMNGO-MRXNPFEDSA-N 2 0 361.461 3.060 20 0 FGADRP CC[N@H+](C)Cc1cccc(CNC(=O)N[C@H]2CC[NH+](CC3CCCC3)C2)c1 ZINC000465811382 502391191 /nfs/dbraw/zinc/39/11/91/502391191.db2.gz JFLHLDKRTYOMCT-NRFANRHFSA-N 2 0 372.557 3.202 20 0 FGADRP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCC[NH+](CC)C(C)C ZINC000465848656 502402375 /nfs/dbraw/zinc/40/23/75/502402375.db2.gz RWJVICVCYPVVMH-OAQYLSRUSA-N 2 0 374.573 3.270 20 0 FGADRP Cc1cc(-n2ccnc2)ccc1C[N@H+](Cc1ccc(C(N)=O)cc1)C1CC1 ZINC000483525471 502420480 /nfs/dbraw/zinc/42/04/80/502420480.db2.gz GTYRGGOLVBWDDS-UHFFFAOYSA-N 2 0 360.461 3.444 20 0 FGADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)C[C@H]1C ZINC000483526653 502421705 /nfs/dbraw/zinc/42/17/05/502421705.db2.gz SGZUUMKSBZDMEK-WIYYLYMNSA-N 2 0 372.557 3.165 20 0 FGADRP C[C@H]1C[C@@H](NC(=O)NCc2ccccc2C[NH+]2CCCCCC2)CC[N@@H+]1C ZINC000465923181 502428471 /nfs/dbraw/zinc/42/84/71/502428471.db2.gz SMFIHPDFLIGZRM-RXVVDRJESA-N 2 0 372.557 3.345 20 0 FGADRP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC000472761190 502432605 /nfs/dbraw/zinc/43/26/05/502432605.db2.gz DBUMTVPBKXVHML-NVXWUHKLSA-N 2 0 364.921 3.260 20 0 FGADRP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)NC[C@@H]1CCC[NH+]1Cc1ccccc1 ZINC000465939353 502433586 /nfs/dbraw/zinc/43/35/86/502433586.db2.gz SHPGQCKBSMGORV-RTWAWAEBSA-N 2 0 372.557 3.167 20 0 FGADRP C[NH+](C)CCc1ccc(CNC(=O)c2ccc(Nc3cc[nH+]cc3)cc2)cc1 ZINC000469489144 502436531 /nfs/dbraw/zinc/43/65/31/502436531.db2.gz BYIUNOWMCVJSIO-UHFFFAOYSA-N 2 0 374.488 3.281 20 0 FGADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)NCCCCC[NH+]2CCCCC2)C1 ZINC000465954205 502438731 /nfs/dbraw/zinc/43/87/31/502438731.db2.gz ULEIWNLVFUNXIQ-IBGZPJMESA-N 2 0 352.567 3.016 20 0 FGADRP C[C@@H](C[NH+]1CCCCCC1)NC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000483630169 502447348 /nfs/dbraw/zinc/44/73/48/502447348.db2.gz XBWYQKITRCMJLC-PZJWPPBQSA-N 2 0 372.557 3.167 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NCC2([NH+](C)C)CCCCCC2)C[C@@H]1C ZINC000483714549 502472145 /nfs/dbraw/zinc/47/21/45/502472145.db2.gz OQGRYDIHUPBFNQ-ROUUACIJSA-N 2 0 352.567 3.155 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C[C@H]1C ZINC000483716936 502473938 /nfs/dbraw/zinc/47/39/38/502473938.db2.gz UVFJUROBXDHMQX-NQIIRXRSSA-N 2 0 372.557 3.297 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H]1CC[C@@H]2CCC[C@H]2C1 ZINC000466154553 502491257 /nfs/dbraw/zinc/49/12/57/502491257.db2.gz TUYKJWHISSBZFI-VNTMZGSJSA-N 2 0 364.578 3.013 20 0 FGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCCN2CCc3ccccc32)[C@@H](C)C1 ZINC000480255883 502514801 /nfs/dbraw/zinc/51/48/01/502514801.db2.gz ZDBFHAWZILSZTO-PZJWPPBQSA-N 2 0 359.558 3.166 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C/C=C\c1cccc(F)c1 ZINC000487747151 502521087 /nfs/dbraw/zinc/52/10/87/502521087.db2.gz FRCFCQJEBRCCEL-NSDNCLLMSA-N 2 0 361.505 3.104 20 0 FGADRP CCC[N@H+](CC)CCNC(=O)N1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000473170111 502534803 /nfs/dbraw/zinc/53/48/03/502534803.db2.gz DVXNZNDXAFBLDJ-OALUTQOASA-N 2 0 352.567 3.014 20 0 FGADRP CN(CC[N@H+](C)C1CC1)C(=O)NC[C@@H]1CCCC[NH+](Cc2ccccc2)C1 ZINC000462748016 502555776 /nfs/dbraw/zinc/55/57/76/502555776.db2.gz ZPNHARLMHLJGDL-FQEVSTJZSA-N 2 0 372.557 3.024 20 0 FGADRP CCC(C)(C)[NH2+][C@H](C)C(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000476762184 502580371 /nfs/dbraw/zinc/58/03/71/502580371.db2.gz MURFWNCJQFCKCA-BFYDXBDKSA-N 2 0 351.560 3.414 20 0 FGADRP CC1CC[NH+](CCC[C@H]([NH2+][C@H]2CC(=O)N(C)C2)c2ccc(F)cc2)CC1 ZINC000462803072 502581443 /nfs/dbraw/zinc/58/14/43/502581443.db2.gz PUEXITBLSILBIV-PMACEKPBSA-N 2 0 361.505 3.199 20 0 FGADRP Cn1nc2c(c1C[NH2+][C@@H]1CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]31)CCCC2 ZINC000462814515 502585984 /nfs/dbraw/zinc/58/59/84/502585984.db2.gz FYZHSFPACROZDM-CEWLAPEOSA-N 2 0 364.537 3.299 20 0 FGADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1 ZINC000469902847 502591437 /nfs/dbraw/zinc/59/14/37/502591437.db2.gz VQZVMSJGJHBKAG-KBPBESRZSA-N 2 0 353.894 3.092 20 0 FGADRP C[C@@H]1C[C@H](NC(=O)NCCC[NH2+]C2CCCCC2)C[N@@H+]1Cc1ccccc1 ZINC000466517909 502595222 /nfs/dbraw/zinc/59/52/22/502595222.db2.gz KUPPLPOYCVNPCD-NQIIRXRSSA-N 2 0 372.557 3.261 20 0 FGADRP C[C@H](NC(=O)NCCC[NH+]1CCC(C)CC1)[C@H](c1ccccc1)[NH+](C)C ZINC000476900158 502615879 /nfs/dbraw/zinc/61/58/79/502615879.db2.gz FRYNLBLVVWLQJK-AZUAARDMSA-N 2 0 360.546 3.099 20 0 FGADRP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@H](C)C1)c1cccc(NS(C)(=O)=O)c1 ZINC000480632144 502628699 /nfs/dbraw/zinc/62/86/99/502628699.db2.gz RINGXAQFOCGTPC-IRXDYDNUSA-N 2 0 367.559 3.221 20 0 FGADRP O=C([C@@H]1CC[N@@H+](C2CCCCC2)C1)N1CCC[NH+](Cc2ccccc2)CC1 ZINC000480788784 502672506 /nfs/dbraw/zinc/67/25/06/502672506.db2.gz JDUMPFGNYKHQSX-OAQYLSRUSA-N 2 0 369.553 3.376 20 0 FGADRP CC[NH+](CC)CC1CC[NH+]([C@H](C)C(=O)Nc2cccc(NC(C)=O)c2)CC1 ZINC000488271944 502675512 /nfs/dbraw/zinc/67/55/12/502675512.db2.gz ZGGKITYVXFDDFU-MRXNPFEDSA-N 2 0 374.529 3.026 20 0 FGADRP CCCC[N@H+](CC)Cc1cccc(CNC(=O)N[C@H]2CC[NH+](C3CC3)C2)c1 ZINC000473730312 502689546 /nfs/dbraw/zinc/68/95/46/502689546.db2.gz FSWGTDLHZDMCRB-FQEVSTJZSA-N 2 0 372.557 3.345 20 0 FGADRP CCN1CC[NH+](CCCC[NH2+][C@@H]2CCN(Cc3ccccc3)[C@H](C)C2)CC1 ZINC000463137903 502704609 /nfs/dbraw/zinc/70/46/09/502704609.db2.gz AKZUSAAZSZVXJN-FYYLOGMGSA-N 2 0 372.601 3.047 20 0 FGADRP CC[NH+]1CCN(Cc2ccc(C[NH2+][C@H]3CS[C@@H](C(C)C)C3)cc2)CC1 ZINC000488418885 502709064 /nfs/dbraw/zinc/70/90/64/502709064.db2.gz TUVJPVPKVPBHRZ-NHCUHLMSSA-N 2 0 361.599 3.444 20 0 FGADRP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CS[C@H](C(C)(C)C)C3)cn2)CC1 ZINC000488454135 502718652 /nfs/dbraw/zinc/71/86/52/502718652.db2.gz IFZFXCVHPBRZNV-ROUUACIJSA-N 2 0 362.587 3.233 20 0 FGADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCC[C@H]2C[NH+]2CCCC2)C1 ZINC000477266887 502724592 /nfs/dbraw/zinc/72/45/92/502724592.db2.gz PTNBYMUIJCBGQE-MOPGFXCFSA-N 2 0 364.578 3.157 20 0 FGADRP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000481035417 502734858 /nfs/dbraw/zinc/73/48/58/502734858.db2.gz LAOXFEKTMFKPNU-YDHLFZDLSA-N 2 0 361.313 3.196 20 0 FGADRP CC(C)[NH+](CCNC(=O)N[C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(C)C ZINC000488555300 502749551 /nfs/dbraw/zinc/74/95/51/502749551.db2.gz GCMTZVHITZOZFC-TZIWHRDSSA-N 2 0 374.573 3.315 20 0 FGADRP C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)c1ccc2c(c1)C[NH2+]C2 ZINC000470369792 502752788 /nfs/dbraw/zinc/75/27/88/502752788.db2.gz QFSAXVFKPMPUCQ-UHFFFAOYSA-N 2 0 357.885 3.147 20 0 FGADRP C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)c2ccc3c(c2)C[NH2+]C3)C1 ZINC000470372090 502754199 /nfs/dbraw/zinc/75/41/99/502754199.db2.gz JMDSAEPZVMMFDZ-KRWDZBQOSA-N 2 0 363.505 3.452 20 0 FGADRP CCCC[N@H+](C)CCNC(=O)NC1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC000473959356 502763279 /nfs/dbraw/zinc/76/32/79/502763279.db2.gz XOYGZWXXXIRTAH-RTBURBONSA-N 2 0 374.573 3.174 20 0 FGADRP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH2+]C1CCN(C(=O)C2CC2)CC1 ZINC000473991329 502772582 /nfs/dbraw/zinc/77/25/82/502772582.db2.gz AJRXPOKVGPQUNB-UHFFFAOYSA-N 2 0 357.542 3.135 20 0 FGADRP CCC(CC)[C@@H](CNC(=O)NC1CC([NH+]2CCCCC2)C1)[NH+]1CCCC1 ZINC000474019113 502780374 /nfs/dbraw/zinc/78/03/74/502780374.db2.gz GIRBMRWMEMQRKM-SOAGJPPSSA-N 2 0 364.578 3.203 20 0 FGADRP C[NH+](C)CCOc1ccc(CC[NH2+][C@@H]2CCCC[C@@H]2[C@@H]2CCOC2)cc1 ZINC000474032386 502784626 /nfs/dbraw/zinc/78/46/26/502784626.db2.gz IXMQZBZVTVQMBA-CEMLEFRQSA-N 2 0 360.542 3.354 20 0 FGADRP COc1cccc([C@@H]2[C@H](N[C@H]3CC[NH+]4CCC[C@@H]4C3)CC[N@@H+]2C2CC2)c1 ZINC000495407431 502835245 /nfs/dbraw/zinc/83/52/45/502835245.db2.gz IPSOXCJFLKZCQP-RGMHLJPOSA-N 2 0 355.526 3.189 20 0 FGADRP C[C@@H](C(=O)N1CCC[N@H+](CCCc2ccccc2)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000513070146 502844360 /nfs/dbraw/zinc/84/43/60/502844360.db2.gz OJYDOEBUVKAGCA-NJYVYQBISA-N 2 0 371.569 3.415 20 0 FGADRP C[C@@H]1CCC[C@](CNC(=O)N2CCC(CCC[NH+](C)C)CC2)([NH+](C)C)C1 ZINC000500717578 502846815 /nfs/dbraw/zinc/84/68/15/502846815.db2.gz VAWYQRDCUPCQSK-NQIIRXRSSA-N 2 0 366.594 3.260 20 0 FGADRP C[C@H](CNC(=O)N1CC[N@@H+](C2CCC2)C[C@@H](C)C1)[NH+](C)Cc1ccccc1 ZINC000488961085 502848277 /nfs/dbraw/zinc/84/82/77/502848277.db2.gz OAAJDCHGKPVWQA-RTBURBONSA-N 2 0 372.557 3.023 20 0 FGADRP C[C@@H]1CCC[C@@H](NC(=O)C[N@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)[C@H]1C ZINC000501025162 502915272 /nfs/dbraw/zinc/91/52/72/502915272.db2.gz YXOHGWOVJASNQB-LVCYWYKZSA-N 2 0 372.557 3.171 20 0 FGADRP CN(c1ccccc1C[N@@H+]1CCc2ccc(O)cc2C1)C1CC[NH+](C)CC1 ZINC000509531351 502927983 /nfs/dbraw/zinc/92/79/83/502927983.db2.gz CBPFDGWIOSMQIB-UHFFFAOYSA-N 2 0 365.521 3.481 20 0 FGADRP CC[C@H](C)[NH2+][C@H](CNC(=O)NCC[N@@H+]1CCCC(C)(C)C1)c1ccco1 ZINC000509586528 502942247 /nfs/dbraw/zinc/94/22/47/502942247.db2.gz HIWVRARCKIFJFS-DLBZAZTESA-N 2 0 364.534 3.130 20 0 FGADRP CC[NH+]1CCN(c2ccccc2C[N@H+](CCOC)Cc2ccccc2)CC1 ZINC000505592813 502943199 /nfs/dbraw/zinc/94/31/99/502943199.db2.gz ZWEFMKQBJBRVQN-UHFFFAOYSA-N 2 0 367.537 3.477 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCO[C@H]2c2ccccc2)[C@H](C)C1 ZINC000497387547 502945816 /nfs/dbraw/zinc/94/58/16/502945816.db2.gz KNSFOGLUZZYYDY-GBAJDQEWSA-N 2 0 360.542 3.491 20 0 FGADRP O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000505708762 502971026 /nfs/dbraw/zinc/97/10/26/502971026.db2.gz FMSGXCBUGNPVOK-SFTDATJTSA-N 2 0 370.541 3.099 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccc(CSC)cc1 ZINC000505765672 502981374 /nfs/dbraw/zinc/98/13/74/502981374.db2.gz KTDQIBVHJOQPAD-IBGZPJMESA-N 2 0 363.571 3.038 20 0 FGADRP C[NH+](C)CC[C@H](NC(=O)N[C@H](C[NH+](C)C)c1ccc(F)cc1)C(C)(C)C ZINC000497549532 502985196 /nfs/dbraw/zinc/98/51/96/502985196.db2.gz AOYPZRNEWBORKA-MSOLQXFVSA-N 2 0 366.525 3.094 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1CCCNC(=O)NC[C@@H](C1CCCCC1)[NH+](C)C ZINC000501350939 502990765 /nfs/dbraw/zinc/99/07/65/502990765.db2.gz YKQMOZJDSSINOS-MJGOQNOKSA-N 2 0 352.567 3.061 20 0 FGADRP C[N@@H+]1CC[C@H]([NH2+]CCOc2ccc(Br)cc2)[C@@H]2CCC[C@H]21 ZINC000513690592 503001491 /nfs/dbraw/zinc/00/14/91/503001491.db2.gz KVSJRXCOWJONAZ-YESZJQIVSA-N 2 0 353.304 3.290 20 0 FGADRP C[C@@H]1CN(C(=O)c2cccc(C[N@H+](C)Cc3ccccc3)c2)[C@H](C)C[NH2+]1 ZINC000505875426 503003792 /nfs/dbraw/zinc/00/37/92/503003792.db2.gz WCCAGDDSLZUHQU-QZTJIDSGSA-N 2 0 351.494 3.141 20 0 FGADRP CCc1ccc(NC(=O)[C@H](C)[NH+]2CCC(CC[NH+]3CCOCC3)CC2)cc1 ZINC000513816348 503028476 /nfs/dbraw/zinc/02/84/76/503028476.db2.gz MBDLKZVTHZGCSM-SFHVURJKSA-N 2 0 373.541 3.010 20 0 FGADRP C[C@H](CNC(=O)N1CCC[N@H+](Cc2ccccc2)CC1)[NH+]1CCC[C@H](C)C1 ZINC000501523900 503028685 /nfs/dbraw/zinc/02/86/85/503028685.db2.gz OTTAHUWOYGKWJP-VQTJNVASSA-N 2 0 372.557 3.024 20 0 FGADRP FC(F)Oc1ccc(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)cc1 ZINC000513819199 503029873 /nfs/dbraw/zinc/02/98/73/503029873.db2.gz RSQOFRFYGVGNER-UHFFFAOYSA-N 2 0 354.441 3.222 20 0 FGADRP Clc1ccc(OCC[NH+]2CCC(CC[NH+]3CCOCC3)CC2)cc1 ZINC000513817188 503030020 /nfs/dbraw/zinc/03/00/20/503030020.db2.gz CHCLHSCHDWADCZ-UHFFFAOYSA-N 2 0 352.906 3.153 20 0 FGADRP C[C@@H](CNC(=O)NCCC[N@H+](C)Cc1ccccc1)[NH+]1CCCC[C@H]1C ZINC000501531023 503030515 /nfs/dbraw/zinc/03/05/15/503030515.db2.gz KAXDTIQUQHITQY-MOPGFXCFSA-N 2 0 360.546 3.071 20 0 FGADRP CC[NH+](CC)Cc1ccccc1CNC(=O)NC[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000501549972 503035735 /nfs/dbraw/zinc/03/57/35/503035735.db2.gz KCYRRFQQLYNZJX-RTBURBONSA-N 2 0 374.573 3.448 20 0 FGADRP CC(C)[NH+]1CCC([N@H+](C)CCC(=O)N[C@@H]2CCCc3ccccc32)CC1 ZINC000514008150 503066704 /nfs/dbraw/zinc/06/67/04/503066704.db2.gz BOLPGUMZUREBOL-OAQYLSRUSA-N 2 0 357.542 3.375 20 0 FGADRP C[C@H](C(=O)N1CCCc2ccccc21)[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000501794395 503081261 /nfs/dbraw/zinc/08/12/61/503081261.db2.gz KQXXKZWDAYHQPG-GOSISDBHSA-N 2 0 357.542 3.408 20 0 FGADRP CCC[NH+]1CCC(CNC(=O)NCCCC[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000514126129 503094542 /nfs/dbraw/zinc/09/45/42/503094542.db2.gz DJQBCNYQNUXUMP-RTBURBONSA-N 2 0 366.594 3.166 20 0 FGADRP CCCN(CC[NH+]1CCCC1)C(=O)N[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000501856515 503094962 /nfs/dbraw/zinc/09/49/62/503094962.db2.gz JPLVJOWZOGFTQB-RTBURBONSA-N 2 0 364.578 3.157 20 0 FGADRP CC1CC[NH+](CCCCNC(=O)NCC(C)(C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000514138103 503096417 /nfs/dbraw/zinc/09/64/17/503096417.db2.gz LLGPSOKMUVAEEE-IBGZPJMESA-N 2 0 366.594 3.308 20 0 FGADRP Cc1nc(COc2ccc(C[N@H+](CCC[NH3+])CC3CCCC3)cc2)no1 ZINC000490039987 503097596 /nfs/dbraw/zinc/09/75/96/503097596.db2.gz OJZBAWWVWBGHQO-UHFFFAOYSA-N 2 0 358.486 3.298 20 0 FGADRP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000514186297 503108028 /nfs/dbraw/zinc/10/80/28/503108028.db2.gz JMKFPPMYGZBBOK-AZUAARDMSA-N 2 0 372.557 3.071 20 0 FGADRP C[C@@H](CNC(=O)N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)[NH+]1CCCC[C@@H]1C ZINC000510510702 503129552 /nfs/dbraw/zinc/12/95/52/503129552.db2.gz IUIPOWAHUTVCMX-VJANTYMQSA-N 2 0 364.578 3.202 20 0 FGADRP C[C@H]1CN(C2CC[NH+](Cc3c[nH]nc3-c3ccc(Cl)cc3)CC2)CCO1 ZINC000510519037 503131281 /nfs/dbraw/zinc/13/12/81/503131281.db2.gz GNWUTQVFOBZCPE-HNNXBMFYSA-N 2 0 374.916 3.415 20 0 FGADRP CC[N@@H+]1C[C@H](C)N(C(=O)NCc2ccccc2C[NH+](C)C(C)C)C[C@@H]1C ZINC000498231652 503137790 /nfs/dbraw/zinc/13/77/90/503137790.db2.gz NWUXKKUAFJSMJJ-ROUUACIJSA-N 2 0 360.546 3.151 20 0 FGADRP CC[N@@H+]1C[C@H](C)N(C(=O)NCc2ccccc2C[NH+]2CCCCC2)C[C@@H]1C ZINC000498257774 503144400 /nfs/dbraw/zinc/14/44/00/503144400.db2.gz FAYZUIJOGTUHIN-OALUTQOASA-N 2 0 372.557 3.297 20 0 FGADRP CC[N@@H+]1C[C@H](C)N(C(=O)N[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C)C[C@@H]1C ZINC000498264018 503145829 /nfs/dbraw/zinc/14/58/29/503145829.db2.gz GMHNDNJTJIDJRB-XODKDNOYSA-N 2 0 372.557 3.021 20 0 FGADRP C[C@@H]1C[N@H+](CCCC[NH2+]Cc2nc3c(s2)C[C@@H](C)CC3)C[C@H](C)O1 ZINC000498351467 503164371 /nfs/dbraw/zinc/16/43/71/503164371.db2.gz CJDCDEPVXHROMT-HRCADAONSA-N 2 0 351.560 3.247 20 0 FGADRP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(C[NH2+][C@@H]3CC[C@@H]3C3CCC3)c2)C1 ZINC000510673223 503169547 /nfs/dbraw/zinc/16/95/47/503169547.db2.gz ZUYNTFMZFOXNLX-NJDAHSKKSA-N 2 0 355.526 3.052 20 0 FGADRP CC[NH+]1CCN(c2ccccc2CN2CCC[C@@H]2C[NH+]2CCCCC2)CC1 ZINC000510694083 503174271 /nfs/dbraw/zinc/17/42/71/503174271.db2.gz VWRARQUOWZYDCR-JOCHJYFZSA-N 2 0 370.585 3.279 20 0 FGADRP CCCNC(=O)CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000514792103 503194336 /nfs/dbraw/zinc/19/43/36/503194336.db2.gz HGQSWSREVOBXGH-KRWDZBQOSA-N 2 0 351.560 3.117 20 0 FGADRP COc1c(O)cccc1C[NH+]1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000490569608 503197124 /nfs/dbraw/zinc/19/71/24/503197124.db2.gz OXGRDYRUNAVTQJ-IAGOWNOFSA-N 2 0 362.514 3.112 20 0 FGADRP O=C([C@@H]1CCC[N@H+](Cc2ccccc2)C1)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000502574460 503229747 /nfs/dbraw/zinc/22/97/47/503229747.db2.gz JOZJOXBJMXIWRC-YADHBBJMSA-N 2 0 369.553 3.376 20 0 FGADRP CC(C)[NH+](CCCNC(=O)N[C@@H](C)[C@@H](c1ccccc1)[NH+](C)C)C(C)C ZINC000498705302 503243072 /nfs/dbraw/zinc/24/30/72/503243072.db2.gz ORNLMUIWTUMJHC-ICSRJNTNSA-N 2 0 362.562 3.486 20 0 FGADRP C[C@H]1C[C@@H](NC(=O)Nc2ccc3c(c2)C[NH2+]CC3)C[N@@H+]1Cc1ccccc1 ZINC000515046390 503258835 /nfs/dbraw/zinc/25/88/35/503258835.db2.gz PRYLMXQSJXWULP-HRAATJIYSA-N 2 0 364.493 3.117 20 0 FGADRP COc1ccc([C@H]2CCCCCN2C(=O)CN[C@@H]2CC[NH2+]CC2(C)C)cc1 ZINC000515048217 503259520 /nfs/dbraw/zinc/25/95/20/503259520.db2.gz BZDIQTJCFKFRCA-WOJBJXKFSA-N 2 0 373.541 3.117 20 0 FGADRP COc1ccc([C@@H]([NH2+]CC2CC[NH+](CCO)CC2)c2ccc(F)cc2)cc1 ZINC000491041418 503264496 /nfs/dbraw/zinc/26/44/96/503264496.db2.gz UPYFSDCYFAQAHH-QFIPXVFZSA-N 2 0 372.484 3.218 20 0 FGADRP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)N(CC[NH+](C)C)Cc1ccccc1 ZINC000502874931 503296269 /nfs/dbraw/zinc/29/62/69/503296269.db2.gz BIURTEFYWFXYAF-FQEVSTJZSA-N 2 0 374.573 3.414 20 0 FGADRP CC[N@@H+]1CCC[C@@H](CNC(=O)NC2CC[NH+]([C@@H](C)c3ccccc3)CC2)C1 ZINC000507415173 503297063 /nfs/dbraw/zinc/29/70/63/503297063.db2.gz UCYRSCISSPFLMV-OALUTQOASA-N 2 0 372.557 3.243 20 0 FGADRP CC1CC[NH+](Cc2ccccc2CNC(=O)N2CC[N@H+](C)CC[C@H]2C)CC1 ZINC000502913674 503306814 /nfs/dbraw/zinc/30/68/14/503306814.db2.gz WWGTWAQLZKPFKT-LJQANCHMSA-N 2 0 372.557 3.154 20 0 FGADRP CN1CCO[C@@H]([C@H]([NH2+]C2CCC([NH+](C)C)CC2)c2ccc(Cl)cc2)C1 ZINC000515443455 503338939 /nfs/dbraw/zinc/33/89/39/503338939.db2.gz SWRPCLAVDDVSIM-NTFDOXNWSA-N 2 0 365.949 3.174 20 0 FGADRP Cc1ccc(F)c(N2CCC[C@H]([N@@H+]3CC[C@@H](C)[C@@H](n4ccnc4)C3)C2=O)c1 ZINC000503071699 503341521 /nfs/dbraw/zinc/34/15/21/503341521.db2.gz AWOALUZORBDFNC-KPFFTGBYSA-N 2 0 370.472 3.409 20 0 FGADRP CCC[N@H+](CC)CCNC(=O)N[C@@H]1CC[NH+](Cc2ccccc2)CC1(C)C ZINC000511585474 503348829 /nfs/dbraw/zinc/34/88/29/503348829.db2.gz KXQPNADFHBODDS-HXUWFJFHSA-N 2 0 374.573 3.318 20 0 FGADRP C[C@@H](C(=O)Nc1ccc(-c2c[nH]cn2)cc1)N(C)CCC(=O)OC(C)(C)C ZINC000503111531 503349025 /nfs/dbraw/zinc/34/90/25/503349025.db2.gz WXQQRZHRXQXZFD-AWEZNQCLSA-N 2 0 372.469 3.067 20 0 FGADRP CC[C@@H]1C[C@H](C[NH+]2CCC(CC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)CCO1 ZINC000507800225 503368218 /nfs/dbraw/zinc/36/82/18/503368218.db2.gz ZCACLNWRZLCOFZ-FMWKFLBASA-N 2 0 352.563 3.403 20 0 FGADRP Cc1ccccc1[C@H]([C@H](C)NC(=O)N[C@H](C)C(C)(C)C[NH+](C)C)[NH+](C)C ZINC000499312230 503378022 /nfs/dbraw/zinc/37/80/22/503378022.db2.gz KFMSICABEJWWRG-SCTDSRPQSA-N 2 0 362.562 3.262 20 0 FGADRP CC(C)[C@H](C(=O)Nc1ccc(NC(=O)CC[NH+]2CCCCC2)cc1)[C@@H](C)[NH3+] ZINC000515654030 503381023 /nfs/dbraw/zinc/38/10/23/503381023.db2.gz AYBBWKJNJVIXEG-UZLBHIALSA-N 2 0 374.529 3.059 20 0 FGADRP CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000503316529 503388380 /nfs/dbraw/zinc/38/83/80/503388380.db2.gz MARVQQNFOQGCBV-HXUWFJFHSA-N 2 0 372.557 3.411 20 0 FGADRP CC[N@H+](CCNC(=O)Nc1cccc(C[NH+](C)C)c1)CCC(F)(F)F ZINC000492937531 503395044 /nfs/dbraw/zinc/39/50/44/503395044.db2.gz PPQBGKDVUXOBEO-UHFFFAOYSA-N 2 0 360.424 3.144 20 0 FGADRP CN(CCN1CC[NH+](Cc2ccccc2)CC1)Cc1nc(C2CC2)cs1 ZINC000511840905 503398969 /nfs/dbraw/zinc/39/89/69/503398969.db2.gz CRSPSOVRMCUSDR-UHFFFAOYSA-N 2 0 370.566 3.270 20 0 FGADRP COc1ccccc1[C@H](CNC(=O)[C@@H](C)[N@H+]1[C@H](C)CC[C@@H]1C)[NH+]1CCCC1 ZINC000507945150 503402471 /nfs/dbraw/zinc/40/24/71/503402471.db2.gz PDSMUDCPCQUCQV-RMJJICAUSA-N 2 0 373.541 3.210 20 0 FGADRP C[C@H]1CCC[C@H](C[NH2+]Cc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)C1 ZINC000507950692 503403266 /nfs/dbraw/zinc/40/32/66/503403266.db2.gz MTSQKKGCJHLWTE-ICSRJNTNSA-N 2 0 357.542 3.428 20 0 FGADRP CC(C)(C)CC[NH+]1CCN(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)CC1 ZINC000515798505 503403794 /nfs/dbraw/zinc/40/37/94/503403794.db2.gz CWBSQZIRRSVQLD-UHFFFAOYSA-N 2 0 352.567 3.059 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N1CCC(CC[NH+](C)C)CC1)CC(C)C ZINC000515802965 503404087 /nfs/dbraw/zinc/40/40/87/503404087.db2.gz IZGVFMPPHIDLPZ-IBGZPJMESA-N 2 0 354.583 3.116 20 0 FGADRP Cc1ccccc1[C@@H]([C@@H](C)NC(=O)NC1CC([NH+]2CCCCC2)C1)[NH+](C)C ZINC000503431399 503408178 /nfs/dbraw/zinc/40/81/78/503408178.db2.gz QAYHIRXWRJKYAI-YXUAKONQSA-N 2 0 372.557 3.302 20 0 FGADRP CCCC[N@H+](C)CC1CCN(C(=O)NC[C@@H]2CCC[NH+]2CCC)CC1 ZINC000511900085 503410982 /nfs/dbraw/zinc/41/09/82/503410982.db2.gz CXPUAASTVGVBLF-IBGZPJMESA-N 2 0 352.567 3.014 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cccc(C(F)(F)F)c1 ZINC000499523104 503424786 /nfs/dbraw/zinc/42/47/86/503424786.db2.gz YVUFMWYHEVRALK-KRWDZBQOSA-N 2 0 371.447 3.194 20 0 FGADRP C[NH+]1CCC(CC[NH2+]C[C@H](O)COc2ccc(-c3ccccc3)cc2)CC1 ZINC000516048720 503436989 /nfs/dbraw/zinc/43/69/89/503436989.db2.gz LFENJOHSWSAKOY-QFIPXVFZSA-N 2 0 368.521 3.415 20 0 FGADRP C[C@H](NCc1ncc(CN(C)C)s1)c1cnn(Cc2ccccc2)c1 ZINC000512056975 503446169 /nfs/dbraw/zinc/44/61/69/503446169.db2.gz IQSJWFHHSHJUNH-HNNXBMFYSA-N 2 0 355.511 3.300 20 0 FGADRP O=C(NCCCCC[NH+]1CCCC1)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000508197496 503451126 /nfs/dbraw/zinc/45/11/26/503451126.db2.gz CRELWYPGCXSAST-NRFANRHFSA-N 2 0 357.542 3.423 20 0 FGADRP C[C@@H]1CCC[C@@](CNC(=O)N2CCC(C[NH+]3CCCC3)CC2)([NH+](C)C)C1 ZINC000516154194 503457304 /nfs/dbraw/zinc/45/73/04/503457304.db2.gz KHOOJMXYOFSDAJ-WIYYLYMNSA-N 2 0 364.578 3.014 20 0 FGADRP c1cc(OCC[NH+]2CCCC2)ccc1C[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000493979105 503469864 /nfs/dbraw/zinc/46/98/64/503469864.db2.gz WYCHMXZNFMBPGZ-NJDAHSKKSA-N 2 0 356.510 3.208 20 0 FGADRP CCC(CC)(CNC(=O)N1CCC[N@H+](C)CC1)[NH2+][C@@H](C)c1ccccc1 ZINC000503795768 503472850 /nfs/dbraw/zinc/47/28/50/503472850.db2.gz SRASMCPQXONUSH-SFHVURJKSA-N 2 0 360.546 3.243 20 0 FGADRP C[C@@H]1[C@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000494079379 503483939 /nfs/dbraw/zinc/48/39/39/503483939.db2.gz NPBPQKZLJZVOMN-KAGYGMCKSA-N 2 0 369.553 3.420 20 0 FGADRP C[C@H](NC(=O)CN(C)CCC[NH+]1CCCC1)c1cccc2ccccc21 ZINC000499910968 503509606 /nfs/dbraw/zinc/50/96/06/503509606.db2.gz DIMXWUYOOHKXIC-SFHVURJKSA-N 2 0 353.510 3.435 20 0 FGADRP C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)[C@@H]2CCC[NH+]2C2CC2)C1 ZINC000494248353 503511959 /nfs/dbraw/zinc/51/19/59/503511959.db2.gz QXZCYDYCCWUGFY-UTKZUKDTSA-N 2 0 355.526 3.162 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)[C@H]2CCC[NH+]2C2CC2)cc1 ZINC000494326209 503525531 /nfs/dbraw/zinc/52/55/31/503525531.db2.gz GLMMJXRNJQEAJS-DYESRHJHSA-N 2 0 355.526 3.304 20 0 FGADRP C[C@@H]1C[C@@H](CCNC(=O)N2CCC[C@@H]([NH+](C)C)C2)C[N@@H+]1Cc1ccccc1 ZINC000512435494 503550163 /nfs/dbraw/zinc/55/01/63/503550163.db2.gz JDIYFCBDRDINRS-HMXCVIKNSA-N 2 0 372.557 3.023 20 0 FGADRP C[C@@H]([NH2+]CCn1c2ccccc2[nH]c1=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508722316 503551221 /nfs/dbraw/zinc/55/12/21/503551221.db2.gz XFLSUEJANDTLHU-IEBWSBKVSA-N 2 0 364.493 3.242 20 0 FGADRP C[C@@H]([NH2+]CCn1c2ccccc2[nH]c1=O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508722317 503551541 /nfs/dbraw/zinc/55/15/41/503551541.db2.gz XFLSUEJANDTLHU-MJGOQNOKSA-N 2 0 364.493 3.242 20 0 FGADRP CC[NH+](CC)Cc1cccc(CNC(=O)NCC[NH+]2CCC(C)CC2)c1 ZINC000500130871 503561220 /nfs/dbraw/zinc/56/12/20/503561220.db2.gz GQQXHBQPDLXWKW-UHFFFAOYSA-N 2 0 360.546 3.060 20 0 FGADRP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000516682416 503567946 /nfs/dbraw/zinc/56/79/46/503567946.db2.gz KJNRIUQTFBNPTB-CEXWTWQISA-N 2 0 364.578 3.013 20 0 FGADRP CCCN(CCC[NH+](C)C)C(=O)N[C@H](C)[C@H](c1ccccc1C)[NH+](C)C ZINC000508845840 503575823 /nfs/dbraw/zinc/57/58/23/503575823.db2.gz KVOWCAVPSNNDPS-UYAOXDASSA-N 2 0 362.562 3.360 20 0 FGADRP O=C(CC[C@@H]1CCC[NH2+]1)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000494638111 503579786 /nfs/dbraw/zinc/57/97/86/503579786.db2.gz OXUWGTUJRGNDSM-UNMCSNQZSA-N 2 0 355.526 3.033 20 0 FGADRP CC(C)[NH+]1CCC(NC(=O)N2C[C@H](C)[N@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000500253425 503589343 /nfs/dbraw/zinc/58/93/43/503589343.db2.gz YRYRIWOEJZFDFZ-OALUTQOASA-N 2 0 372.557 3.164 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)[C@H](C)CN1C(=O)c1ccc(C[NH+](C)C)cc1 ZINC000500440571 503625463 /nfs/dbraw/zinc/62/54/63/503625463.db2.gz WJKLBYUXNRRGAE-RTBURBONSA-N 2 0 365.521 3.483 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(C[NH2+][C@@H]3CCC(=O)NC3(C)C)cc2)C1 ZINC000494890984 503630688 /nfs/dbraw/zinc/63/06/88/503630688.db2.gz OREUHRRJHIGNQN-FUHIMQAGSA-N 2 0 357.542 3.311 20 0 FGADRP C[C@@H](NC(=O)NCC1([NH3+])CCCCCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000517019813 503645804 /nfs/dbraw/zinc/64/58/04/503645804.db2.gz PRWJFNZIZCPXBC-UYAOXDASSA-N 2 0 372.557 3.248 20 0 FGADRP CCC[NH+]1CCN(c2ccccc2C[N@@H+]2CCOC3(CCCC3)C2)CC1 ZINC000536658940 503663185 /nfs/dbraw/zinc/66/31/85/503663185.db2.gz VZOVOLSDQSHCTG-UHFFFAOYSA-N 2 0 357.542 3.364 20 0 FGADRP CC(C)[N@H+](C)CC1CC[NH+](CCC(=O)Nc2cc(F)cc(F)c2)CC1 ZINC000532949919 503670939 /nfs/dbraw/zinc/67/09/39/503670939.db2.gz NANVNPGKHNLWSJ-UHFFFAOYSA-N 2 0 353.457 3.346 20 0 FGADRP Cc1nc2ccccc2n1C1CCN(C(=O)NC[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000517225732 503683942 /nfs/dbraw/zinc/68/39/42/503683942.db2.gz HIXZTFLKMFUBNT-IRXDYDNUSA-N 2 0 369.513 3.209 20 0 FGADRP C[C@@H]1CCCC[C@H]1C[NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000543245293 503696311 /nfs/dbraw/zinc/69/63/11/503696311.db2.gz BTPGQAYTADNRRC-QMMLZNLJSA-N 2 0 357.542 3.300 20 0 FGADRP C[C@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)sc(=O)n3C)CN1Cc1ccccc1 ZINC000527230397 503729486 /nfs/dbraw/zinc/72/94/86/503729486.db2.gz APGRAGBFTOPEHA-MAUKXSAKSA-N 2 0 367.518 3.353 20 0 FGADRP C[C@@H]1Cc2ccc(F)cc2[C@@H]1[NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000536856995 503741834 /nfs/dbraw/zinc/74/18/34/503741834.db2.gz IDOXBZXSPAWIJS-QVKFZJNVSA-N 2 0 369.484 3.140 20 0 FGADRP C[C@@H]1CCC[C@](CNC(=O)NC[C@H](c2ccsc2)[NH+](C)C)([NH+](C)C)C1 ZINC000517511494 503760970 /nfs/dbraw/zinc/76/09/70/503760970.db2.gz ZWGUAWZPVWVFLK-SUMDDJOVSA-N 2 0 366.575 3.161 20 0 FGADRP CC[N@H+](CCC1CCN(C(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1)CC(C)C ZINC000536927760 503762859 /nfs/dbraw/zinc/76/28/59/503762859.db2.gz UTOYCYXPPRVLHL-OALUTQOASA-N 2 0 351.579 3.466 20 0 FGADRP CCN(CC[NH+]1CCCCCC1)C(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000517603218 503783223 /nfs/dbraw/zinc/78/32/23/503783223.db2.gz UXWMTBPMGPUSBB-KRWDZBQOSA-N 2 0 366.575 3.258 20 0 FGADRP COC(=O)c1ccc(C[NH+]2CCN(c3cc[nH+]c4ccccc43)CC2)cc1 ZINC000517625635 503789139 /nfs/dbraw/zinc/78/91/39/503789139.db2.gz FRYHXKBYRVPMEP-UHFFFAOYSA-N 2 0 361.445 3.344 20 0 FGADRP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000517740753 503823604 /nfs/dbraw/zinc/82/36/04/503823604.db2.gz UDKILFNUKSPVKV-QZTJIDSGSA-N 2 0 352.567 3.061 20 0 FGADRP Fc1cc(C[NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)ccc1-n1cncn1 ZINC000527530501 503826575 /nfs/dbraw/zinc/82/65/75/503826575.db2.gz FGAOPFDPOTUDPX-LJQANCHMSA-N 2 0 365.456 3.018 20 0 FGADRP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000543674755 503848360 /nfs/dbraw/zinc/84/83/60/503848360.db2.gz KUJWKCBKWUXSLG-RXVVDRJESA-N 2 0 372.557 3.023 20 0 FGADRP C[NH+](C)C1(CNC(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)CCCCCC1 ZINC000517887630 503858652 /nfs/dbraw/zinc/85/86/52/503858652.db2.gz SYQCRXXXUWKBCW-LJQANCHMSA-N 2 0 364.578 3.301 20 0 FGADRP C[C@H]1C[NH+](CC2CC[NH+](CCN3CCCc4ccccc43)CC2)C[C@H](C)O1 ZINC000533534518 503878877 /nfs/dbraw/zinc/87/88/77/503878877.db2.gz LGUDPIAYHYOWKN-PMACEKPBSA-N 2 0 371.569 3.260 20 0 FGADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]CC/C=C/c1ccc(Br)cc1 ZINC000530214921 503881105 /nfs/dbraw/zinc/88/11/05/503881105.db2.gz YXRMJUGZQBOTTQ-WPMJJANXSA-N 2 0 353.304 3.194 20 0 FGADRP OC1(C[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)CCC(c2ccccc2)CC1 ZINC000530232085 503884903 /nfs/dbraw/zinc/88/49/03/503884903.db2.gz XGZAMXHBQIEWSS-YGWXTMFKSA-N 2 0 372.553 3.166 20 0 FGADRP C[NH+]1CCN(CCC(C)(C)[NH2+]Cc2ccsc2Br)CC1 ZINC000527691272 503897615 /nfs/dbraw/zinc/89/76/15/503897615.db2.gz ICSNQYGFOWIHFW-UHFFFAOYSA-N 2 0 360.365 3.016 20 0 FGADRP CC(C)c1nc2c([nH]1)C[C@H](C(=O)N1CC[N@H+](C)CC13CCCCC3)CC2 ZINC000530286619 503909781 /nfs/dbraw/zinc/90/97/81/503909781.db2.gz IGWDWDXMAQELLN-MRXNPFEDSA-N 2 0 358.530 3.115 20 0 FGADRP CN(CCC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)c1cc[nH+]cc1 ZINC000540929444 503942458 /nfs/dbraw/zinc/94/24/58/503942458.db2.gz ZWJIPJSGISNNCH-UHFFFAOYSA-N 2 0 370.522 3.095 20 0 FGADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]C[C@@H](O)COCc2ccccc2Cl)C1 ZINC000518362218 503962927 /nfs/dbraw/zinc/96/29/27/503962927.db2.gz KNSHSRYKPAAMRW-IEBWSBKVSA-N 2 0 368.949 3.175 20 0 FGADRP C[N@@H+]1CC[C@H](NC(=O)NC[C@H]2CC[NH+]2C2CCCCC2)[C@@H]1c1ccccc1 ZINC000527829889 503963037 /nfs/dbraw/zinc/96/30/37/503963037.db2.gz CCOUEXUAHVOLJL-HKBOAZHASA-N 2 0 370.541 3.138 20 0 FGADRP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccc4c(c3)CCC(C)(C)O4)C2)CC1 ZINC000537660015 503997020 /nfs/dbraw/zinc/99/70/20/503997020.db2.gz ZRRFXKALUUJRKK-OAQYLSRUSA-N 2 0 371.569 3.391 20 0 FGADRP C[C@H]([NH2+][C@@H]1CCC[C@H](N2CCCC2=O)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000518565896 504017595 /nfs/dbraw/zinc/01/75/95/504017595.db2.gz RIJCPYSQXYYHTC-SXLOBPIMSA-N 2 0 373.541 3.211 20 0 FGADRP C[C@H]([NH2+][C@H]1CCC[C@H](N2CCCC2=O)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000518565895 504017826 /nfs/dbraw/zinc/01/78/26/504017826.db2.gz RIJCPYSQXYYHTC-IHPCNDPISA-N 2 0 373.541 3.211 20 0 FGADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H](O)COc2ccc3ccccc3c2)C[C@H]1C ZINC000530662918 504043941 /nfs/dbraw/zinc/04/39/41/504043941.db2.gz RAYZYMXYJMXKDJ-JRGCBEDISA-N 2 0 356.510 3.384 20 0 FGADRP Cc1ccc(C[N@H+]2CC[C@@H](CN(C)C(=O)C[NH+]3CCC(C)(C)C3)C2)s1 ZINC000518794747 504066744 /nfs/dbraw/zinc/06/67/44/504066744.db2.gz NWQLJIDJARSCHG-KRWDZBQOSA-N 2 0 363.571 3.069 20 0 FGADRP C[C@H](CCNC(=O)N[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1)[NH+]1CCCCC1 ZINC000544286222 504073595 /nfs/dbraw/zinc/07/35/95/504073595.db2.gz IPJIXKLKHJSABN-DYXWJJEUSA-N 2 0 372.557 3.213 20 0 FGADRP C[C@H](CCN1C(=O)c2ccccc2C1=O)[NH2+]CCCC[N@@H+]1CCC[C@H](C)C1 ZINC000547367971 504078549 /nfs/dbraw/zinc/07/85/49/504078549.db2.gz YFTAGQFMSWSJDJ-ZWKOTPCHSA-N 2 0 371.525 3.163 20 0 FGADRP Oc1ccc2c(c1)C[NH+](CCCC[N@H+]1CCc3ccc(O)cc3C1)CC2 ZINC000534273342 504091307 /nfs/dbraw/zinc/09/13/07/504091307.db2.gz MNWDZXSBKJIENF-UHFFFAOYSA-N 2 0 352.478 3.294 20 0 FGADRP CCC[NH+]1CCC(C[NH2+][C@H](CN2CCOCC2)c2ccc(CC)cc2)CC1 ZINC000544358866 504102796 /nfs/dbraw/zinc/10/27/96/504102796.db2.gz DLLNCPPWUSLHHQ-HSZRJFAPSA-N 2 0 373.585 3.334 20 0 FGADRP CC(C)C[NH+]1CCN(C(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000544373181 504107469 /nfs/dbraw/zinc/10/74/69/504107469.db2.gz IDBPZOJYMJRFAD-UHFFFAOYSA-N 2 0 357.542 3.089 20 0 FGADRP C[C@H]1C[N@H+](CCOc2ccc(CC[NH2+]Cc3ccncc3)cc2)C[C@H]1C ZINC000538122691 504136200 /nfs/dbraw/zinc/13/62/00/504136200.db2.gz MSJZLSPANSJIMX-KDURUIRLSA-N 2 0 353.510 3.381 20 0 FGADRP CC[NH+](CC)Cc1ccc(CNC(=O)NCC[N@H+](C)C2CCCC2)cc1 ZINC000519147079 504150565 /nfs/dbraw/zinc/15/05/65/504150565.db2.gz BATQNIQBKKHWIJ-UHFFFAOYSA-N 2 0 360.546 3.202 20 0 FGADRP CC1CC[NH+]([C@H](CNC(=O)N2CCC[C@H]([NH+](C)C)C2)c2ccccc2)CC1 ZINC000519179321 504158848 /nfs/dbraw/zinc/15/88/48/504158848.db2.gz HOCCEUCCOJTQMZ-LEWJYISDSA-N 2 0 372.557 3.195 20 0 FGADRP CN1CC[NH+](CCCC[NH2+][C@H]2CCCOc3cc(Cl)ccc32)CC1 ZINC000538204502 504161406 /nfs/dbraw/zinc/16/14/06/504161406.db2.gz GSQOINZEMQJNRM-SFHVURJKSA-N 2 0 351.922 3.171 20 0 FGADRP CC[NH+]1CCN(CCC[NH2+][C@@H](c2cccnc2)c2ccc(F)c(C)c2)CC1 ZINC000541552517 504174475 /nfs/dbraw/zinc/17/44/75/504174475.db2.gz KAPANFGTILWFJD-JOCHJYFZSA-N 2 0 370.516 3.236 20 0 FGADRP C[C@H](CN1CCCCC1)[NH2+][C@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21 ZINC000538261446 504180382 /nfs/dbraw/zinc/18/03/82/504180382.db2.gz UQLHPLXKJRYFST-QUCCMNQESA-N 2 0 357.542 3.439 20 0 FGADRP CN1CC[NH+](CC2(C)CC[NH+](Cc3ccc4ncccc4c3)CC2)CC1 ZINC000544593841 504185050 /nfs/dbraw/zinc/18/50/50/504185050.db2.gz FSVCNRCXAZSLBE-UHFFFAOYSA-N 2 0 352.526 3.084 20 0 FGADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1ccc(Oc2ccccc2)cc1 ZINC000531118481 504194279 /nfs/dbraw/zinc/19/42/79/504194279.db2.gz BVOKLYZCOQBMPV-UHFFFAOYSA-N 2 0 355.482 3.044 20 0 FGADRP Cc1cc(C(=O)N(CC[NH+](C)C)CC[NH+](C)C)c(C)n1C1CCCCC1 ZINC000531118642 504194315 /nfs/dbraw/zinc/19/43/15/504194315.db2.gz HLAAZMNGZXZUJN-UHFFFAOYSA-N 2 0 362.562 3.176 20 0 FGADRP CC(C)[C@H](CNC(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1)[NH+]1CCC(C)CC1 ZINC000544622096 504195289 /nfs/dbraw/zinc/19/52/89/504195289.db2.gz RVZAEAHCJFHYIJ-ICSRJNTNSA-N 2 0 366.594 3.115 20 0 FGADRP CCc1ccc([C@@H](CNC(=O)N(C)[C@@H](C)C2CC[NH+](C)CC2)[NH+](C)C)cc1 ZINC000544634769 504199684 /nfs/dbraw/zinc/19/96/84/504199684.db2.gz VFWHHZZMUUIINE-LAUBAEHRSA-N 2 0 374.573 3.223 20 0 FGADRP C[C@H]([NH2+]Cc1ccc(C[NH+](C)C)cc1)[C@@H](c1ccccc1)N1CCOCC1 ZINC000535003809 504309391 /nfs/dbraw/zinc/30/93/91/504309391.db2.gz BYYAXBQTFKXRIS-CVDCTZTESA-N 2 0 367.537 3.300 20 0 FGADRP C[C@H](CNC(=O)CC[N@H+](C)C1CCCCC1)[NH+]1CCc2ccccc2C1 ZINC000548061596 504315457 /nfs/dbraw/zinc/31/54/57/504315457.db2.gz VGNARNSWVLNKFE-GOSISDBHSA-N 2 0 357.542 3.204 20 0 FGADRP CC[NH+](CC)CCCC1CCN(C(=O)NCC2([NH+](C)C)CCCC2)CC1 ZINC000542044495 504347275 /nfs/dbraw/zinc/34/72/75/504347275.db2.gz FCOUGBSEZHOIBM-UHFFFAOYSA-N 2 0 366.594 3.404 20 0 FGADRP C[N@H+](CCNC(=O)[C@H]1CCC[NH+](Cc2ccccc2)C1)C1CCCCC1 ZINC000519996317 504396832 /nfs/dbraw/zinc/39/68/32/504396832.db2.gz YYPJAFZACMVKCN-FQEVSTJZSA-N 2 0 357.542 3.279 20 0 FGADRP COc1ccc(-c2ccccc2)cc1C[NH2+][C@H](C)CN1CC[NH+](C)CC1 ZINC000531789768 504424555 /nfs/dbraw/zinc/42/45/55/504424555.db2.gz DGURMWNYFFBCLN-GOSISDBHSA-N 2 0 353.510 3.088 20 0 FGADRP C[C@H]1C[C@@H](NC(=O)N2CCC[NH+](C(C)(C)C)CC2)C[N@@H+]1Cc1ccccc1 ZINC000531804751 504430696 /nfs/dbraw/zinc/43/06/96/504430696.db2.gz SKEPVQTWRMATBC-AZUAARDMSA-N 2 0 372.557 3.165 20 0 FGADRP CC1CC[NH+]([C@@H](CNC(=O)C23CCC[NH+]2CCC3)c2ccccc2)CC1 ZINC000548412174 504435675 /nfs/dbraw/zinc/43/56/75/504435675.db2.gz SFWOOPYHMUOANB-FQEVSTJZSA-N 2 0 355.526 3.204 20 0 FGADRP CN(C(=O)[C@H]1CCCC12CC2)[C@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000528892676 504436495 /nfs/dbraw/zinc/43/64/95/504436495.db2.gz IDJSKCNZIBWEFO-AQNXPRMDSA-N 2 0 361.574 3.362 20 0 FGADRP CC[N@H+](Cc1ccc(C(=O)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc1)C1CC1 ZINC000520226420 504440515 /nfs/dbraw/zinc/44/05/15/504440515.db2.gz QNPKFIPBRAHSMT-UXHICEINSA-N 2 0 355.526 3.133 20 0 FGADRP CC[C@@H](C)[N@H+](C)CCNC(=O)NC[C@H]1CCC[NH+]1CC1CCCCC1 ZINC000520242380 504443942 /nfs/dbraw/zinc/44/39/42/504443942.db2.gz LDBWXVXNMDBQRJ-IEBWSBKVSA-N 2 0 352.567 3.061 20 0 FGADRP CCC1(C[NH2+]C2CCN(C(C)=O)CC2)CC[NH+](Cc2ccccc2)CC1 ZINC000539043898 504455442 /nfs/dbraw/zinc/45/54/42/504455442.db2.gz XJJLQUNMVQAUMM-UHFFFAOYSA-N 2 0 357.542 3.279 20 0 FGADRP Cc1ccc(Br)cc1NC(=O)CC[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C ZINC000539079145 504465644 /nfs/dbraw/zinc/46/56/44/504465644.db2.gz JBSITVWKCCKCQY-HIFRSBDPSA-N 2 0 368.319 3.016 20 0 FGADRP C[C@H](CNC(=O)NCCCC[N@@H+]1CCC[C@H](C)C1)[NH+](C)Cc1ccccc1 ZINC000520378584 504482590 /nfs/dbraw/zinc/48/25/90/504482590.db2.gz JRPRCORTCBCAJY-VQTJNVASSA-N 2 0 374.573 3.318 20 0 FGADRP C[C@@H](CCNC(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)[NH+]1CCCCC1 ZINC000542435840 504489368 /nfs/dbraw/zinc/48/93/68/504489368.db2.gz PGVXHTKMUPTWQO-PZJWPPBQSA-N 2 0 372.557 3.215 20 0 FGADRP Cc1nn(-c2cc[nH+]cc2)cc1CN1CC[NH+](CC2CCCCC2)CC1 ZINC000542469016 504502877 /nfs/dbraw/zinc/50/28/77/504502877.db2.gz GKSMVLIOZQOIBB-UHFFFAOYSA-N 2 0 353.514 3.274 20 0 FGADRP CC[NH+]1CCC([NH2+]CCc2ccc(OCC[N@@H+]3C[C@H](C)[C@H](C)C3)cc2)CC1 ZINC000539294396 504521730 /nfs/dbraw/zinc/52/17/30/504521730.db2.gz CYVCTJWLJVSNHJ-BGYRXZFFSA-N 3 0 373.585 3.270 20 0 FGADRP CC(C)[N@@H+]1CC[C@H](CNC(=O)N2C[C@@H](C)[NH+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000535749661 504529477 /nfs/dbraw/zinc/52/94/77/504529477.db2.gz DGNYETDWKVSMPM-SVFBPWRDSA-N 2 0 372.557 3.021 20 0 FGADRP CC[C@H](CN[C@@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21)[NH+]1CCCC1 ZINC000539365068 504541856 /nfs/dbraw/zinc/54/18/56/504541856.db2.gz JHGWVCBSOUOHMT-UYAOXDASSA-N 2 0 357.542 3.439 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cccc(C)c1Cl ZINC000535860161 504565544 /nfs/dbraw/zinc/56/55/44/504565544.db2.gz DDWUYCBGFYJPRI-MRXNPFEDSA-N 2 0 351.922 3.137 20 0 FGADRP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@@H+](CC3CC3)C(C)C)CC2)cc1 ZINC000539454258 504576919 /nfs/dbraw/zinc/57/69/19/504576919.db2.gz UUVNDPJPEZHFTB-UHFFFAOYSA-N 2 0 357.542 3.150 20 0 FGADRP CC[NH+](CC)CCOc1ccc(C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)cc1 ZINC000520775190 504579886 /nfs/dbraw/zinc/57/98/86/504579886.db2.gz NJYVHEFWQBMLEP-FQEVSTJZSA-N 2 0 373.541 3.108 20 0 FGADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000535939327 504588078 /nfs/dbraw/zinc/58/80/78/504588078.db2.gz XONXZKXTZYXOFA-WOJBJXKFSA-N 2 0 364.578 3.014 20 0 FGADRP C[C@H](C[NH+]1CCCCC1)NC(=O)N(CCCc1ccccc1)CC[NH+](C)C ZINC000520821785 504590516 /nfs/dbraw/zinc/59/05/16/504590516.db2.gz FJYLYUSBWLCOLT-HXUWFJFHSA-N 2 0 374.573 3.067 20 0 FGADRP CCO[C@H]1C[C@@H]([NH2+]Cc2ccc(CN3CC[NH+](CC)CC3)cc2)C12CCC2 ZINC000539499898 504591311 /nfs/dbraw/zinc/59/13/11/504591311.db2.gz MVXWTLMGRCOVLG-YADHBBJMSA-N 2 0 371.569 3.261 20 0 FGADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000542745049 504593402 /nfs/dbraw/zinc/59/34/02/504593402.db2.gz STMKDAVLSVGEGJ-MSOLQXFVSA-N 2 0 374.573 3.488 20 0 FGADRP C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N[C@H]2CC[NH2+]C23CCC3)C1 ZINC000529290690 504621691 /nfs/dbraw/zinc/62/16/91/504621691.db2.gz VHXZWLIWWGVHLN-PXNSSMCTSA-N 2 0 370.541 3.002 20 0 FGADRP CC1CC[NH+](Cc2cccc(CNC(=O)N[C@H]3CC[NH2+]C34CCC4)c2)CC1 ZINC000529300697 504626849 /nfs/dbraw/zinc/62/68/49/504626849.db2.gz DQATWPXSZYGQMT-FQEVSTJZSA-N 2 0 370.541 3.002 20 0 FGADRP CC(C)C[C@H]([NH2+][C@@H](C)c1ccc(F)c(Cl)c1)C(=O)NCC[NH+](C)C ZINC000539647549 504637919 /nfs/dbraw/zinc/63/79/19/504637919.db2.gz DAYPYTWSUBZTMN-GUYCJALGSA-N 2 0 357.901 3.222 20 0 FGADRP C[C@@H](CC[NH+](C)C)[NH2+][C@@H](C)CC(=O)Nc1cccc(Br)c1 ZINC000532491564 504669373 /nfs/dbraw/zinc/66/93/73/504669373.db2.gz HXELLUNQQVQKEI-STQMWFEESA-N 2 0 356.308 3.096 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2ccc3c(c2)nnn3C)CC1 ZINC000539825904 504706480 /nfs/dbraw/zinc/70/64/80/504706480.db2.gz VYJVWDNHUHAFHI-QGZVFWFLSA-N 2 0 355.530 3.445 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cccc(-c2ccoc2)c1 ZINC000536361084 504709564 /nfs/dbraw/zinc/70/95/64/504709564.db2.gz NTCNTIPBEGQTSK-OAQYLSRUSA-N 2 0 369.509 3.435 20 0 FGADRP C[C@@H]([NH2+]CCCN1CC[NH+](Cc2ccccc2)CC1)C1CC(F)(F)C1 ZINC000529531666 504716302 /nfs/dbraw/zinc/71/63/02/504716302.db2.gz HAWJYSUYEBRTDP-QGZVFWFLSA-N 2 0 351.485 3.218 20 0 FGADRP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]C[C@@]2(C)CCCC[C@H]2O)CC1 ZINC000536402608 504723431 /nfs/dbraw/zinc/72/34/31/504723431.db2.gz HCMJOLKOOGLJSK-WOJBJXKFSA-N 2 0 365.949 3.123 20 0 FGADRP CC[N@@H+]1CCCN(C(=O)N[C@H]2CC[NH+](Cc3ccccc3)CC2(C)C)CC1 ZINC000549208233 504724507 /nfs/dbraw/zinc/72/45/07/504724507.db2.gz UDLKMMRRDPPHIK-FQEVSTJZSA-N 2 0 372.557 3.024 20 0 FGADRP CC(C)c1ccc([C@H]([NH3+])CNC(=O)N2CCCC[C@@H]2[C@@H]2CCC[NH2+]C2)cc1 ZINC000521411457 504730436 /nfs/dbraw/zinc/73/04/36/504730436.db2.gz DWTJBTAODHMKOC-NJDAHSKKSA-N 2 0 372.557 3.374 20 0 FGADRP COc1ccc([C@H](C[NH+]2CCCC2)NC(=O)[C@@H](C)[NH+]2CCCCCC2)cc1 ZINC000539932585 504742110 /nfs/dbraw/zinc/74/21/10/504742110.db2.gz SVADYIDNWZTRTA-NQIIRXRSSA-N 2 0 373.541 3.213 20 0 FGADRP COc1ccc([C@@H](C[NH3+])CN(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000565047132 504780251 /nfs/dbraw/zinc/78/02/51/504780251.db2.gz NMXAFCAVNAOTLH-UNMCSNQZSA-N 2 0 367.537 3.191 20 0 FGADRP C[NH+](C)Cc1ccc(CNC(=O)c2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000549325125 504791663 /nfs/dbraw/zinc/79/16/63/504791663.db2.gz RZGKCSVDFOQPCV-UHFFFAOYSA-N 2 0 351.494 3.274 20 0 FGADRP CC[N@@H+]1CCN(C(=O)c2cccc(C[NH+](C)Cc3ccccc3)c2)[C@@H](C)C1 ZINC000552984912 504798797 /nfs/dbraw/zinc/79/87/97/504798797.db2.gz MBNYSQWGBXTNKC-IBGZPJMESA-N 2 0 365.521 3.485 20 0 FGADRP C[C@@H](C(=O)NCc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1)[NH+]1CC(C)C1 ZINC000552998125 504801513 /nfs/dbraw/zinc/80/15/13/504801513.db2.gz SZJPBJYZLCPIPO-SCTDSRPQSA-N 2 0 357.542 3.121 20 0 FGADRP CCC[C@H](C)C(=O)NCC[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000556202818 504819582 /nfs/dbraw/zinc/81/95/82/504819582.db2.gz DAHPAWSHHLOINU-FYZZASKESA-N 2 0 357.542 3.039 20 0 FGADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000549472593 504831552 /nfs/dbraw/zinc/83/15/52/504831552.db2.gz SRALUNYUWBLFHD-ROUUACIJSA-N 2 0 366.937 3.116 20 0 FGADRP COc1cc(C)nc(C[NH2+]Cc2ccc(OC3CC[NH+](C)CC3)cc2)c1 ZINC000556407142 504866065 /nfs/dbraw/zinc/86/60/65/504866065.db2.gz HTIMNDQIVAMHDL-UHFFFAOYSA-N 2 0 355.482 3.161 20 0 FGADRP C[C@@H]1C[C@H](NC(=O)NCC2CC[NH+](Cc3cccs3)CC2)c2nccn21 ZINC000562587115 504869677 /nfs/dbraw/zinc/86/96/77/504869677.db2.gz SGHCKAIPGPUHTD-PBHICJAKSA-N 2 0 373.526 3.162 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)C[C@@H]1C ZINC000556497889 504889445 /nfs/dbraw/zinc/88/94/45/504889445.db2.gz QJBHFRYFEJMOPP-ILWGZMRPSA-N 2 0 359.558 3.082 20 0 FGADRP CC(C)(C)[C@@H]([NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1)c1cccc(F)c1 ZINC000553394502 504902802 /nfs/dbraw/zinc/90/28/02/504902802.db2.gz PEWCIYHNQOVBDA-FQEVSTJZSA-N 2 0 361.505 3.246 20 0 FGADRP C[N@H+](C[C@@H](O)Cc1ccc(F)cc1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000549861088 504919691 /nfs/dbraw/zinc/91/96/91/504919691.db2.gz XVDZJTRVHIIYFM-IRLDBZIGSA-N 2 0 356.485 3.183 20 0 FGADRP C[C@H](NC(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1)[C@@H]1CCC[NH2+]C1 ZINC000562795985 504948303 /nfs/dbraw/zinc/94/83/03/504948303.db2.gz FYXVMAMXQBPSMW-GHTZIAJQSA-N 2 0 372.557 3.250 20 0 FGADRP C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)NCc2ccccc2C[NH+]2CCC(C)CC2)C1 ZINC000562814199 504955482 /nfs/dbraw/zinc/95/54/82/504955482.db2.gz SLSFZPVDCCEFEH-UYAOXDASSA-N 2 0 372.557 3.187 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N1C[C@@H]([NH+]2CCCC2)C[C@@H]1C)CC(C)C ZINC000553600132 504958813 /nfs/dbraw/zinc/95/88/13/504958813.db2.gz VXQKVYZZPYVWKM-FHWLQOOXSA-N 2 0 352.567 3.011 20 0 FGADRP CC[C@@H](C(=O)N1CC[NH+](C2CCC2)C[C@H](C)C1)[N@H+](C)Cc1ccccc1 ZINC000565733675 504971663 /nfs/dbraw/zinc/97/16/63/504971663.db2.gz INOOTSYYRZSQQK-RXVVDRJESA-N 2 0 357.542 3.230 20 0 FGADRP CC(=O)N1CCC([NH2+][C@@H]2CCCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000556864177 504999516 /nfs/dbraw/zinc/99/95/16/504999516.db2.gz CNUGWFUTFCUDIA-ACIOBRDBSA-N 2 0 369.553 3.278 20 0 FGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H](C)CCc2ccc(F)cc2F)CC1 ZINC000556874006 505001827 /nfs/dbraw/zinc/00/18/27/505001827.db2.gz YPKWKQCDRNIPBF-SJORKVTESA-N 2 0 353.501 3.149 20 0 FGADRP C[C@H]([NH2+]CCc1ccc(OCC[NH+]2C[C@@H](C)[C@H](C)C2)cc1)c1ncc[nH]1 ZINC000556886897 505006647 /nfs/dbraw/zinc/00/66/47/505006647.db2.gz PUONXEXFERFYTF-KURKYZTESA-N 2 0 356.514 3.270 20 0 FGADRP C[N@@H+]1CC[C@H]([NH2+]CCc2nc(-c3cccc(Cl)c3)no2)[C@H]2CCC[C@@H]21 ZINC000556885977 505006976 /nfs/dbraw/zinc/00/69/76/505006976.db2.gz ROEHMXZOUOCSRN-IKGGRYGDSA-N 2 0 360.889 3.395 20 0 FGADRP C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)C[C@H]2CCCC[C@H]2[NH3+])CC1 ZINC000563047895 505033346 /nfs/dbraw/zinc/03/33/46/505033346.db2.gz JWAFBBCNUJZDDD-NHCUHLMSSA-N 2 0 357.542 3.265 20 0 FGADRP CC1(C(=O)N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)CC[NH+](Cc2ccccc2)CC1 ZINC000563099965 505048166 /nfs/dbraw/zinc/04/81/66/505048166.db2.gz JGIPIFVLXGGXFN-NHCUHLMSSA-N 2 0 369.553 3.137 20 0 FGADRP CC1(C(=O)N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)CC[NH+](Cc2ccccc2)CC1 ZINC000563099964 505048199 /nfs/dbraw/zinc/04/81/99/505048199.db2.gz JGIPIFVLXGGXFN-LEWJYISDSA-N 2 0 369.553 3.137 20 0 FGADRP CC[NH+](CC)C[C@H]1CCCC[C@H]1NC(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000557032632 505048815 /nfs/dbraw/zinc/04/88/15/505048815.db2.gz SIBQJRVMJWWKRO-IEBWSBKVSA-N 2 0 358.530 3.354 20 0 FGADRP C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1ccccc1CC1CC[NH2+]CC1 ZINC000563199085 505073677 /nfs/dbraw/zinc/07/36/77/505073677.db2.gz RHZRFKBCLAKIBZ-ROUUACIJSA-N 2 0 357.542 3.079 20 0 FGADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1ccccc1CC1CC[NH2+]CC1 ZINC000563199081 505073714 /nfs/dbraw/zinc/07/37/14/505073714.db2.gz RHZRFKBCLAKIBZ-MSOLQXFVSA-N 2 0 357.542 3.079 20 0 FGADRP C[C@@H](C(=O)N1CCN(c2cc[nH+]c3ccccc32)CC1)[NH+]1CCCCCC1 ZINC000560489687 505102382 /nfs/dbraw/zinc/10/23/82/505102382.db2.gz GUPFCCCAKUQHRP-SFHVURJKSA-N 2 0 366.509 3.148 20 0 FGADRP C[NH+](C)C[C@H](NC(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+])c1ccc(Cl)cc1 ZINC000566197502 505110065 /nfs/dbraw/zinc/11/00/65/505110065.db2.gz GVRVAOHNYPTRNL-DLLQETOTSA-N 2 0 363.933 3.213 20 0 FGADRP C[C@H](c1ccc(Cl)cc1)N(C)C(=O)C[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000566245355 505121687 /nfs/dbraw/zinc/12/16/87/505121687.db2.gz OEWBROHIMHHFCK-KBAYOESNSA-N 2 0 363.933 3.181 20 0 FGADRP Cn1ccc(CC[NH2+][C@@H]2CCCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)n1 ZINC000560549847 505122666 /nfs/dbraw/zinc/12/26/66/505122666.db2.gz ZIGDSWIECDCELN-KSEOMHKRSA-N 2 0 352.526 3.243 20 0 FGADRP CC[C@@H](C)[NH2+][C@@H](CNC(=O)NCC(C)(C)[NH+]1CCCCC1)c1ccco1 ZINC000554255268 505126238 /nfs/dbraw/zinc/12/62/38/505126238.db2.gz RCUYTHSPCVNYFX-SJORKVTESA-N 2 0 364.534 3.273 20 0 FGADRP C[C@@H](C(=O)NCc1ccc(C[NH3+])cc1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000566296050 505137231 /nfs/dbraw/zinc/13/72/31/505137231.db2.gz MRVUOGUDUUFXOF-SFHVURJKSA-N 2 0 365.521 3.105 20 0 FGADRP O=C(Nc1cccc2c1CC[NH2+]C2)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000563504092 505160454 /nfs/dbraw/zinc/16/04/54/505160454.db2.gz NYKRQVKZFMWLCU-UHFFFAOYSA-N 2 0 364.493 3.118 20 0 FGADRP c1ccc(C[N@H+]2C[C@@H](C[NH2+][C@H]3CCCOCC3)C3(C2)CCOCC3)cc1 ZINC000551265378 505188530 /nfs/dbraw/zinc/18/85/30/505188530.db2.gz UZLQTEWMQABNCL-RTWAWAEBSA-N 2 0 358.526 3.074 20 0 FGADRP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000566505030 505191216 /nfs/dbraw/zinc/19/12/16/505191216.db2.gz RCCUIUVQMRIRIY-ZDUSSCGKSA-N 2 0 372.435 3.406 20 0 FGADRP CC[NH+](CC)Cc1ccccc1CNC(=O)N1C[C@@H]([NH+]2CCCC2)C[C@@H]1C ZINC000557739403 505218311 /nfs/dbraw/zinc/21/83/11/505218311.db2.gz YUOIVLLXBIGPHM-RXVVDRJESA-N 2 0 372.557 3.297 20 0 FGADRP C[C@@H](NC(=O)N1CCC[N@@H+](C(C)(C)C)CC1)[C@H](c1ccccc1)[NH+](C)C ZINC000554609465 505221731 /nfs/dbraw/zinc/22/17/31/505221731.db2.gz AAWHRYUEAHFLNT-IEBWSBKVSA-N 2 0 360.546 3.194 20 0 FGADRP C[C@H]1C[NH+](CCC2CC[NH+](Cc3ccc4c(c3)C[NH2+]CC4)CC2)C[C@H](C)O1 ZINC000563725964 505221978 /nfs/dbraw/zinc/22/19/78/505221978.db2.gz XFAJOTCNVWONDU-OALUTQOASA-N 3 0 371.569 3.044 20 0 FGADRP C[C@H]1CN(C(=O)[C@H]2CCCC[NH+]2Cc2ccccc2)CC[N@@H+](C2CCC2)C1 ZINC000557837726 505242725 /nfs/dbraw/zinc/24/27/25/505242725.db2.gz WPVIWTXDCUFJAH-DENIHFKCSA-N 2 0 369.553 3.374 20 0 FGADRP C[C@@H]1CC[N@H+](CC(=O)NCc2ccccc2C[NH+]2C[C@H](C)C[C@@H](C)C2)C1 ZINC000561156870 505266808 /nfs/dbraw/zinc/26/68/08/505266808.db2.gz WPAGUZMDFXNEAF-GUDVDZBRSA-N 2 0 357.542 3.123 20 0 FGADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH+]1CCC(c2noc(C(C)C)n2)CC1 ZINC000554801508 505268718 /nfs/dbraw/zinc/26/87/18/505268718.db2.gz USQVJXAJNJTMJY-UHFFFAOYSA-N 2 0 366.469 3.462 20 0 FGADRP C[NH+](C)Cc1cccc(C[NH2+]C[C@@H](O)COc2cccc3ccccc32)c1 ZINC000563989782 505296461 /nfs/dbraw/zinc/29/64/61/505296461.db2.gz LZHXMKMMULGPHI-OAQYLSRUSA-N 2 0 364.489 3.431 20 0 FGADRP CSc1ccc([C@H](CNC(=O)CC[N@@H+]2CCCC[C@@H]2C)[NH+](C)C)cc1 ZINC000566937247 505315599 /nfs/dbraw/zinc/31/55/99/505315599.db2.gz SAXPTKFUKMHCBR-LPHOPBHVSA-N 2 0 363.571 3.392 20 0 FGADRP CCC[N@H+](CC)C[C@@H](C)NC(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000564137923 505334744 /nfs/dbraw/zinc/33/47/44/505334744.db2.gz XJUIXQDOHADGLG-GOSISDBHSA-N 2 0 360.546 3.202 20 0 FGADRP CCC[N@@H+]1CCC[C@H]1CNC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000561424510 505341604 /nfs/dbraw/zinc/34/16/04/505341604.db2.gz IXSGBGHPBHZYIZ-FQEVSTJZSA-N 2 0 357.542 3.279 20 0 FGADRP C[C@@H]([NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1cccc(-n2ccnn2)c1 ZINC000558261243 505346751 /nfs/dbraw/zinc/34/67/51/505346751.db2.gz ZXKDLZBJKFIGDY-UYAOXDASSA-N 2 0 361.493 3.440 20 0 FGADRP [NH3+][C@@H]1CCO[C@@H](C2CC[NH+](Cc3coc(-c4cccc(F)c4)n3)CC2)C1 ZINC000564193201 505349279 /nfs/dbraw/zinc/34/92/79/505349279.db2.gz KGQABWDKKDJFII-IEBWSBKVSA-N 2 0 359.445 3.199 20 0 FGADRP CCCC[N@H+](C)C[C@@H](C)NC(=O)N[C@H]1CC[NH+]([C@@H](C)c2ccccc2)C1 ZINC000555148160 505364461 /nfs/dbraw/zinc/36/44/61/505364461.db2.gz IKJZPPMTXQEDCY-HBFSDRIKSA-N 2 0 360.546 3.242 20 0 FGADRP CCc1ccc([C@H](CNC(=O)N2CC[C@@H]([NH+]3CCCC3)[C@@H]2C)[NH+](C)C)cc1 ZINC000558346839 505364759 /nfs/dbraw/zinc/36/47/59/505364759.db2.gz DDKWMWQZWLIKHA-WMQCIHAUSA-N 2 0 372.557 3.120 20 0 FGADRP COc1ccc(CC[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)cc1OC(F)F ZINC000552044759 505380432 /nfs/dbraw/zinc/38/04/32/505380432.db2.gz LYUNGIDWOIJOAR-BZUAXINKSA-N 2 0 354.441 3.302 20 0 FGADRP CC[C@@H]([NH2+]C[C@@H](C)N1CC[NH+](C)CC1)c1ccc(OC(F)(F)F)cc1 ZINC000552048622 505381941 /nfs/dbraw/zinc/38/19/41/505381941.db2.gz YIYBXCZBNGCMNJ-RHSMWYFYSA-N 2 0 359.436 3.262 20 0 FGADRP C[N@@H+]1CC[C@H](C(=O)NCCC[NH+](Cc2ccccc2)Cc2ccccc2)C1 ZINC000552054194 505383479 /nfs/dbraw/zinc/38/34/79/505383479.db2.gz NSEWAOBLBRQLCB-QFIPXVFZSA-N 2 0 365.521 3.147 20 0 FGADRP COc1cccc(CN(CC[NH+](C)C)Cc2cnc3cccc(C)n23)c1 ZINC000558422701 505385360 /nfs/dbraw/zinc/38/53/60/505385360.db2.gz UJWLSLORWBHXRX-UHFFFAOYSA-N 2 0 352.482 3.215 20 0 FGADRP CCCC[N@H+](C)C[C@@H](C)NC(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000558600324 505435445 /nfs/dbraw/zinc/43/54/45/505435445.db2.gz VEFURZXGJUQMCS-LJQANCHMSA-N 2 0 374.573 3.113 20 0 FGADRP C[N@@H+](CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)CC1CCCCC1 ZINC000567370187 505443845 /nfs/dbraw/zinc/44/38/45/505443845.db2.gz QHFLJXQIYFBWFG-UHFFFAOYSA-N 2 0 357.542 3.411 20 0 FGADRP C[C@H](C(=O)N[C@@H](C)c1cccc2ccccc21)[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000567386872 505447923 /nfs/dbraw/zinc/44/79/23/505447923.db2.gz LKGLIEQXQBOPSW-KVPLUYHFSA-N 2 0 365.521 3.337 20 0 FGADRP C[NH+](C)CCCCC(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000552367376 505474542 /nfs/dbraw/zinc/47/45/42/505474542.db2.gz PAHZHSDROBSPJC-UHFFFAOYSA-N 2 0 353.510 3.216 20 0 FGADRP Clc1ccccc1[C@H]1CCC[C@@H]1[NH2+]Cc1nnc(C2CC[NH2+]CC2)[nH]1 ZINC000567492573 505479952 /nfs/dbraw/zinc/47/99/52/505479952.db2.gz GBGHYHMGPVFCDU-WBVHZDCISA-N 2 0 359.905 3.351 20 0 FGADRP C[C@H](CNC(=O)[C@@H]1C[NH2+]C[C@H]1c1ccc(Cl)cc1)[N@@H+]1CCCC[C@@H]1C ZINC000567515843 505485411 /nfs/dbraw/zinc/48/54/11/505485411.db2.gz DISSCYYAJLERAC-QGWWYQLQSA-N 2 0 363.933 3.022 20 0 FGADRP CC(C)[C@H]1C[N@H+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)CCCO1 ZINC000552443883 505493424 /nfs/dbraw/zinc/49/34/24/505493424.db2.gz FIDAGTGFDDQQOE-JOCHJYFZSA-N 2 0 359.558 3.464 20 0 FGADRP c1cnc(N2CC[NH+](CCCC[NH2+]C3CCC4(CCCC4)CC3)CC2)nc1 ZINC000562078831 505511465 /nfs/dbraw/zinc/51/14/65/505511465.db2.gz ZOZXTHNSXRTLCX-UHFFFAOYSA-N 2 0 371.573 3.471 20 0 FGADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NCc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000567608923 505512921 /nfs/dbraw/zinc/51/29/21/505512921.db2.gz URWIDIHDQSROQN-SFTDATJTSA-N 2 0 357.542 3.455 20 0 FGADRP C[C@@H]1C[N@H+](CCc2ccc(C(C)(C)C)cc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000564789355 505521103 /nfs/dbraw/zinc/52/11/03/505521103.db2.gz ABJYMYCBVGXUHW-KNQAVFIVSA-N 2 0 357.586 3.484 20 0 FGADRP c1cn(-c2cccc(C[NH2+][C@H]3C[C@]4(CC[NH2+]C4)Oc4ccccc43)c2)cn1 ZINC000567641535 505522191 /nfs/dbraw/zinc/52/21/91/505522191.db2.gz LWKVERPILOSKPS-UNMCSNQZSA-N 2 0 360.461 3.218 20 0 FGADRP Cc1ccccc1OC[C@H](O)C[NH2+]Cc1cccc(C[NH+]2CCCC2)c1 ZINC000567677900 505532763 /nfs/dbraw/zinc/53/27/63/505532763.db2.gz DFJDOOUNGWSDGM-OAQYLSRUSA-N 2 0 354.494 3.120 20 0 FGADRP Cc1cc2ncn(C[C@H](O)C[NH2+]CCCC[N@H+]3CCC[C@H](C)C3)c2cc1C ZINC000567678577 505533331 /nfs/dbraw/zinc/53/33/31/505533331.db2.gz WOJSZYSZXZHJQO-FXAWDEMLSA-N 2 0 372.557 3.116 20 0 FGADRP CC[C@@H](C)[NH2+][C@H](CNC(=O)NCC1([NH+](C)C)CCCCC1)c1ccco1 ZINC000562220930 505543505 /nfs/dbraw/zinc/54/35/05/505543505.db2.gz IPRJZRJMRKWZGM-IAGOWNOFSA-N 2 0 364.534 3.273 20 0 FGADRP C[C@@H]([NH2+]CCC(=O)Nc1cccc(Br)c1)C1=CC[N@H+](C)CC1 ZINC000567710891 505545934 /nfs/dbraw/zinc/54/59/34/505545934.db2.gz UXTNRFPKVOAJRW-CYBMUJFWSA-N 2 0 366.303 3.018 20 0 FGADRP C[C@@H](C(=O)NCc1ccc(OC2CC[NH+](C)CC2)cc1)[NH+]1[C@H](C)CC[C@H]1C ZINC000552780151 505553325 /nfs/dbraw/zinc/55/33/25/505553325.db2.gz ZNXTYTOLHDZOGX-KURKYZTESA-N 2 0 373.541 3.037 20 0 FGADRP Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)C[C@H]1CCCC[C@H]1[NH3+] ZINC000567784132 505562626 /nfs/dbraw/zinc/56/26/26/505562626.db2.gz LRYPMIFQMVQJLR-QZTJIDSGSA-N 2 0 361.555 3.390 20 0 FGADRP [NH3+][C@@H](CC1CCCCC1)C(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000567802132 505564535 /nfs/dbraw/zinc/56/45/35/505564535.db2.gz AVYVCXVIGYKWFH-NRFANRHFSA-N 2 0 373.541 3.075 20 0 FGADRP C[C@H](NC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1)c1ccc2ccccc2c1 ZINC000564987739 505565859 /nfs/dbraw/zinc/56/58/59/505565859.db2.gz HWXLQXUEUYWYHN-TZOBPFOUSA-N 2 0 365.521 3.465 20 0 FGADRP C[C@H](c1cc2ccccc2o1)N(C)C(=O)CN1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000567889748 505570042 /nfs/dbraw/zinc/57/00/42/505570042.db2.gz QJYSUIIGAZWDTN-IERDGZPVSA-N 2 0 355.482 3.028 20 0 FGADRP Cc1cc(C(=O)C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c(C)n1CC(F)(F)F ZINC000567893707 505570419 /nfs/dbraw/zinc/57/04/19/505570419.db2.gz NEYINQBUFBYOBN-HZPDHXFCSA-N 2 0 371.447 3.171 20 0 FGADRP CCC(C)(C)[NH2+][C@H](C)C(=O)N1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000582732964 506389437 /nfs/dbraw/zinc/38/94/37/506389437.db2.gz WOEUXECZQQYGNE-MRXNPFEDSA-N 2 0 354.498 3.050 20 0 FGADRP C[C@H](NC(=O)C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1)c1cccc2ccccc21 ZINC000582905855 506483079 /nfs/dbraw/zinc/48/30/79/506483079.db2.gz UKSIZDPLBXGLNA-STRKUORWSA-N 2 0 351.494 3.076 20 0 FGADRP CSc1ccc([C@@H](CNC(=O)C2CC[NH+](C(C)C)CC2)[NH+](C)C)cc1 ZINC000582927176 506493153 /nfs/dbraw/zinc/49/31/53/506493153.db2.gz USVWIDYZCRPJPS-LJQANCHMSA-N 2 0 363.571 3.248 20 0 FGADRP CC[C@H](C)[NH2+][C@H](CNC(=O)[C@H]1CCc2nc(C(C)C)[nH]c2C1)c1ccco1 ZINC000582984271 506523761 /nfs/dbraw/zinc/52/37/61/506523761.db2.gz IRNREMTVGJQWAQ-RLFYNMQTSA-N 2 0 372.513 3.477 20 0 FGADRP C[C@@H](C(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)[NH+]1CCCCCC1 ZINC000608357726 506524235 /nfs/dbraw/zinc/52/42/35/506524235.db2.gz GELDYTBPCUQUDF-PZJWPPBQSA-N 2 0 357.542 3.279 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)N1CCC[C@@H]([NH+]2CCCC2)C1)CC(C)C ZINC000612338015 506534075 /nfs/dbraw/zinc/53/40/75/506534075.db2.gz UXTQXFKQONYJEA-RTBURBONSA-N 2 0 352.567 3.013 20 0 FGADRP CCC[NH+]1CCC(NC(=O)N2CCC[N@H+](Cc3ccccc3C)CC2)CC1 ZINC000593333526 506549564 /nfs/dbraw/zinc/54/95/64/506549564.db2.gz KBDIVLVXDSHKAM-UHFFFAOYSA-N 2 0 372.557 3.087 20 0 FGADRP C[C@H]1CC[N@H+](CCNC(=O)c2ccccc2OCC[NH+]2CCCC[C@@H]2C)C1 ZINC000608613738 506632887 /nfs/dbraw/zinc/63/28/87/506632887.db2.gz MHXUCFIMMORLQU-OALUTQOASA-N 2 0 373.541 3.011 20 0 FGADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)[C@H](C[NH+]2CCCC2)c2ccccc2)C1 ZINC000612720931 506707250 /nfs/dbraw/zinc/70/72/50/506707250.db2.gz ZKUDBDFMQYQMBW-IFMALSPDSA-N 2 0 371.569 3.350 20 0 FGADRP CCc1ccc([C@@H]2C[NH2+]CCN2C(=O)CC[C@@H]([NH3+])c2ccccc2)cc1 ZINC000583311694 506710418 /nfs/dbraw/zinc/71/04/18/506710418.db2.gz GBLREYLRYPNJJO-RTWAWAEBSA-N 2 0 351.494 3.202 20 0 FGADRP C[C@@H](CNC(=O)N[C@H](C[NH+]1CCCCC1)c1ccccc1)C[NH+]1CCCC1 ZINC000604177207 506738088 /nfs/dbraw/zinc/73/80/88/506738088.db2.gz ZSGLEWRRLJZJGM-PZJWPPBQSA-N 2 0 372.557 3.245 20 0 FGADRP CC(C)[N@@H+]1CC[C@@H](CNC(=O)N[C@@H](C[NH+]2CCCCC2)c2ccccc2)C1 ZINC000604184568 506741225 /nfs/dbraw/zinc/74/12/25/506741225.db2.gz XSBVKBVDOZYUBN-FPOVZHCZSA-N 2 0 372.557 3.243 20 0 FGADRP C[C@H](C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000600014386 506746918 /nfs/dbraw/zinc/74/69/18/506746918.db2.gz UDWAXSXZZMXSTE-BVYCBKJFSA-N 2 0 369.553 3.073 20 0 FGADRP CC(C)CN(Cc1ccccc1)C(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000604208349 506752124 /nfs/dbraw/zinc/75/21/24/506752124.db2.gz GSSRABIYGWBILM-FQEVSTJZSA-N 2 0 372.557 3.023 20 0 FGADRP CCCN(Cc1ccc(C)cc1)C(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000604208391 506752760 /nfs/dbraw/zinc/75/27/60/506752760.db2.gz DXHXEVWREWIMKM-FQEVSTJZSA-N 2 0 372.557 3.085 20 0 FGADRP [NH3+]CCc1ccccc1C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000583507288 506817578 /nfs/dbraw/zinc/81/75/78/506817578.db2.gz MFEXHWABWBVAMP-UHFFFAOYSA-N 2 0 369.534 3.031 20 0 FGADRP CCCC[N@H+](CC)Cc1cccc(CNC(=O)N[C@@H]2CC23CC[NH2+]CC3)c1 ZINC000612975576 506846403 /nfs/dbraw/zinc/84/64/03/506846403.db2.gz DUWUNLRDIQZFBM-HXUWFJFHSA-N 2 0 372.557 3.250 20 0 FGADRP C[C@@H](C[NH2+]CCC(=O)Nc1ccc(Br)cc1)C[NH+]1CCCC1 ZINC000583625798 506884058 /nfs/dbraw/zinc/88/40/58/506884058.db2.gz NMCRXYKIGFGYKW-AWEZNQCLSA-N 2 0 368.319 3.099 20 0 FGADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]C[C@H](CO)c1ccccc1Cl ZINC000583656395 506896403 /nfs/dbraw/zinc/89/64/03/506896403.db2.gz ROVAWROISUITNR-MRXNPFEDSA-N 2 0 356.857 3.095 20 0 FGADRP C[NH+](C)CC[C@H](NC(=O)NCCC[N@@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000604776360 506939987 /nfs/dbraw/zinc/93/99/87/506939987.db2.gz HEZUZPLJGQVREH-FQEVSTJZSA-N 2 0 374.573 3.100 20 0 FGADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)C1 ZINC000604782090 506941926 /nfs/dbraw/zinc/94/19/26/506941926.db2.gz FPXVZMWLHQCZNY-RLLQIKCJSA-N 2 0 374.573 3.488 20 0 FGADRP CC(C)[N@H+](C)CC1CC[NH+]([C@@H](C)C(=O)NCc2ccccc2Cl)CC1 ZINC000590786773 506957370 /nfs/dbraw/zinc/95/73/70/506957370.db2.gz MEEQFIDHOSJFPV-INIZCTEOSA-N 2 0 365.949 3.397 20 0 FGADRP CC(C)N(Cc1ccccc1)C(=O)C[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000590787180 506957478 /nfs/dbraw/zinc/95/74/78/506957478.db2.gz UBOFRWIBRZJPFT-UHFFFAOYSA-N 2 0 359.558 3.476 20 0 FGADRP CCC(CC)[C@H](CNC(=O)N1CC[C@H]([NH+]2CCCCC2)C1)[NH+]1CCCC1 ZINC000594286662 507063534 /nfs/dbraw/zinc/06/35/34/507063534.db2.gz VWZZEQYXVRXDCQ-PMACEKPBSA-N 2 0 364.578 3.157 20 0 FGADRP CCCC[N@H+](C)CC1CC[NH+](C[C@@H](O)COc2c(C)cccc2C)CC1 ZINC000613491362 507117242 /nfs/dbraw/zinc/11/72/42/507117242.db2.gz PAUZJCZNIOMDAL-OAQYLSRUSA-N 2 0 362.558 3.487 20 0 FGADRP CC(C)[C@H](C(=O)NCc1ccc(C[NH+]2CCCC2)cc1)[NH+]1CCCCC1 ZINC000591108602 507118885 /nfs/dbraw/zinc/11/88/85/507118885.db2.gz LXZUUVPZQPEOHB-OAQYLSRUSA-N 2 0 357.542 3.409 20 0 FGADRP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H](C(C)C)[NH+]1CCc2ccccc2C1 ZINC000591128384 507125395 /nfs/dbraw/zinc/12/53/95/507125395.db2.gz ZTQRDCKARWVNSM-LEWJYISDSA-N 2 0 357.542 3.060 20 0 FGADRP CC(C)[C@H](C(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1)[NH+]1CCCCC1 ZINC000591136773 507129468 /nfs/dbraw/zinc/12/94/68/507129468.db2.gz ZKUUFZZPCXKOSF-HSALFYBXSA-N 2 0 351.579 3.371 20 0 FGADRP c1ccc2c(c1)n[nH]c2C[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000600812498 507131503 /nfs/dbraw/zinc/13/15/03/507131503.db2.gz VHJDIWLLGGIGIZ-UHFFFAOYSA-N 2 0 350.466 3.327 20 0 FGADRP COC[C@@](C)(O)C[NH2+][C@@H](CCC[NH+]1CCC(C)CC1)c1ccc(F)cc1 ZINC000584087381 507144006 /nfs/dbraw/zinc/14/40/06/507144006.db2.gz XAHKNLMGKCEXKT-SFTDATJTSA-N 2 0 366.521 3.366 20 0 FGADRP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+]([C@@H](C)c3ccc(OC(F)F)cc3)C2)CC1 ZINC000610250522 507161886 /nfs/dbraw/zinc/16/18/86/507161886.db2.gz ZDCIBPHLPZKNKN-FUHWJXTLSA-N 2 0 367.484 3.449 20 0 FGADRP CC(C)(C)CC[NH+]1CCN(C(=O)c2ccc(Nc3cc[nH+]cc3)cc2)CC1 ZINC000605401802 507178535 /nfs/dbraw/zinc/17/85/35/507178535.db2.gz MOSJIXPTCXSJJK-UHFFFAOYSA-N 2 0 366.509 3.441 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccccc1OCC[NH+]1CCCC[C@H]1C ZINC000591423165 507244452 /nfs/dbraw/zinc/24/44/52/507244452.db2.gz GHFKXJSOSZHQDC-MOPGFXCFSA-N 2 0 373.541 3.154 20 0 FGADRP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)NCC2([NH+](C)C)CCCCCC2)C1 ZINC000591543112 507284505 /nfs/dbraw/zinc/28/45/05/507284505.db2.gz QFZCLFPGWQRAJI-SFHVURJKSA-N 2 0 352.567 3.061 20 0 FGADRP CC(C)[C@H](CNC(=O)NCC1([NH+](C)C)CCCCCC1)[NH+]1CCCC1 ZINC000591543749 507284867 /nfs/dbraw/zinc/28/48/67/507284867.db2.gz XZXBFIJXPRCLDX-SFHVURJKSA-N 2 0 352.567 3.061 20 0 FGADRP CC(C)[NH2+][C@@H]1CCCN(C(=O)NC[C@H](c2ccccc2Cl)N(C)C)C1 ZINC000601215444 507298560 /nfs/dbraw/zinc/29/85/60/507298560.db2.gz DRRAQDJVAOJGTC-CRAIPNDOSA-N 2 0 366.937 3.115 20 0 FGADRP C[C@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1ccc(F)c(I)c1 ZINC000591578391 507299817 /nfs/dbraw/zinc/29/98/17/507299817.db2.gz YUNJNRBSRQVWSJ-CMPLNLGQSA-N 2 0 362.230 3.223 20 0 FGADRP CC[NH+](CC)Cc1cccc(CNC(=O)N2CCC[C@@H]([NH2+]C(C)C)C2)c1 ZINC000601241284 507309460 /nfs/dbraw/zinc/30/94/60/507309460.db2.gz GSGCQOSNUILKFR-HXUWFJFHSA-N 2 0 360.546 3.200 20 0 FGADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)N(CC[NH+](C)C)Cc1ccccc1 ZINC000605988580 507319130 /nfs/dbraw/zinc/31/91/30/507319130.db2.gz NXAAWXZTFBJGOF-FQEVSTJZSA-N 2 0 360.546 3.024 20 0 FGADRP C[C@@H](CNC(=O)NCCCCC[NH+]1CCCCC1)[NH+]1CCC(C)CC1 ZINC000601285104 507321001 /nfs/dbraw/zinc/32/10/01/507321001.db2.gz ZIBILFNKTFNLRM-IBGZPJMESA-N 2 0 352.567 3.062 20 0 FGADRP COC(=O)c1cnc([C@H](C)NC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)s1 ZINC000601289860 507324951 /nfs/dbraw/zinc/32/49/51/507324951.db2.gz VAGMHKXSRUCJSU-ZOBUZTSGSA-N 2 0 373.522 3.348 20 0 FGADRP CC[NH+]1CCN(Cc2ccccc2C[NH2+][C@@H](C)CSCCF)CC1 ZINC000595009129 507351757 /nfs/dbraw/zinc/35/17/57/507351757.db2.gz DNRQFMUCFIBURO-KRWDZBQOSA-N 2 0 353.551 3.005 20 0 FGADRP COc1ccc(Oc2ccc(C[NH2+][C@@H](C)CN3CC[NH+](C)CC3)cc2)cc1 ZINC000584493031 507375691 /nfs/dbraw/zinc/37/56/91/507375691.db2.gz DEFFONWWKICCRN-SFHVURJKSA-N 2 0 369.509 3.213 20 0 FGADRP COc1cc(C[NH2+]CCCC[NH+]2C[C@@H](C)C[C@H](C)C2)cc(OC)c1O ZINC000584496567 507376634 /nfs/dbraw/zinc/37/66/34/507376634.db2.gz JFTVCFCSRZQWQN-HOTGVXAUSA-N 2 0 350.503 3.257 20 0 FGADRP COC(=O)c1csc([C@@H](C)[NH2+]CC2CC[NH+](Cc3ccncc3)CC2)c1 ZINC000595069978 507378338 /nfs/dbraw/zinc/37/83/38/507378338.db2.gz UGJVGTRWDNTUHH-OAHLLOKOSA-N 2 0 373.522 3.493 20 0 FGADRP CC[NH+]1CCN(c2ccc(NC(=O)[C@@H](CC(C)(C)C)[NH2+]C)c(C)c2)CC1 ZINC000584527550 507395922 /nfs/dbraw/zinc/39/59/22/507395922.db2.gz RUOIZBISPWODND-LJQANCHMSA-N 2 0 360.546 3.100 20 0 FGADRP CC[NH+]1CCC(NC(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000606623231 507456030 /nfs/dbraw/zinc/45/60/30/507456030.db2.gz DKYCXPINIZYREW-GHTZIAJQSA-N 2 0 372.557 3.165 20 0 FGADRP C[NH+](C)CCN(CC1CCCCC1)C(=O)NCC[N@H+](C)C1CCCC1 ZINC000606681644 507477831 /nfs/dbraw/zinc/47/78/31/507477831.db2.gz KEZDDCLVEVMHOF-UHFFFAOYSA-N 2 0 352.567 3.014 20 0 FGADRP C[C@@H](NC(=O)N[C@@H](C[NH+]1CCCCC1)c1ccccc1)C1CC[NH+](C)CC1 ZINC000606690750 507482617 /nfs/dbraw/zinc/48/26/17/507482617.db2.gz LMLQZOOZRKTTTM-NQIIRXRSSA-N 2 0 372.557 3.243 20 0 FGADRP C[C@@H](NC(=O)N[C@H](C[NH+]1CCCCC1)c1ccccc1)C1CC[NH+](C)CC1 ZINC000606690752 507483265 /nfs/dbraw/zinc/48/32/65/507483265.db2.gz LMLQZOOZRKTTTM-WIYYLYMNSA-N 2 0 372.557 3.243 20 0 FGADRP C[C@@H]1CC[N@H+](C)CCN1C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)CC1(C)C ZINC000584852409 507542075 /nfs/dbraw/zinc/54/20/75/507542075.db2.gz DGEJRZYRKRGMGD-UYAOXDASSA-N 2 0 372.557 3.023 20 0 FGADRP CCOc1ccc(CN(CC[NH+](C)C)C[C@@H]2CCC[N@@H+]2CC)cc1F ZINC000584865922 507547156 /nfs/dbraw/zinc/54/71/56/507547156.db2.gz LLQWDLCTWSQFCD-SFHVURJKSA-N 2 0 351.510 3.072 20 0 FGADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000595657237 507617117 /nfs/dbraw/zinc/61/71/17/507617117.db2.gz CLCQGEJWLSXOQD-WOJBJXKFSA-N 2 0 360.546 3.243 20 0 FGADRP C[NH+](C)CC1CC[NH+](Cc2cccc(I)c2)CC1 ZINC000585765959 507620416 /nfs/dbraw/zinc/62/04/16/507620416.db2.gz NBJSDZRHQANXPR-UHFFFAOYSA-N 2 0 358.267 3.065 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)C2CC[NH+](Cc3ccccc3)CC2)C[C@@H]1C ZINC000607125426 507623312 /nfs/dbraw/zinc/62/33/12/507623312.db2.gz PMDXCFWVUACQKA-RXVVDRJESA-N 2 0 357.542 3.230 20 0 FGADRP COC(=O)c1csc(-c2cccc(C[NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@@H]4C3)c2)n1 ZINC000592470844 507670182 /nfs/dbraw/zinc/67/01/82/507670182.db2.gz MCAUUOFGGKKGEL-YESZJQIVSA-N 2 0 371.506 3.074 20 0 FGADRP C[N@H+](CCNC(=O)[C@@H]1CCCC[NH+]1Cc1ccccc1)Cc1ccccc1 ZINC000607284049 507676876 /nfs/dbraw/zinc/67/68/76/507676876.db2.gz UIDUMCLYRLJSOK-QFIPXVFZSA-N 2 0 365.521 3.289 20 0 FGADRP CC[N@H+](C)Cc1cccc(C[NH2+]Cc2cc(C(=O)OC(C)(C)C)nn2C)c1 ZINC000602546841 507743763 /nfs/dbraw/zinc/74/37/63/507743763.db2.gz YCMZMCFGBLKKDQ-UHFFFAOYSA-N 2 0 372.513 3.117 20 0 FGADRP Fc1ccc2ccnc(NCCC[NH+]3CCN(c4cc[nH+]cc4)CC3)c2c1 ZINC000539889273 516340457 /nfs/dbraw/zinc/34/04/57/516340457.db2.gz FMSGYSHWUBOSDC-UHFFFAOYSA-N 2 0 365.456 3.393 20 0 FGADRP Nc1nc(CN2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)nc2ccccc12 ZINC000519035647 516863038 /nfs/dbraw/zinc/86/30/38/516863038.db2.gz BCOYAFVDIZRPPD-RBUKOAKNSA-N 2 0 373.504 3.166 20 0 FGADRP c1ccc(-c2ccc(NCC[NH2+]C3CC[NH+](CC4CC4)CC3)nn2)cc1 ZINC000532463573 562478781 /nfs/dbraw/zinc/47/87/81/562478781.db2.gz SSOLXWNKOURHCP-UHFFFAOYSA-N 2 0 351.498 3.020 20 0 FGADRP CC[C@@H]1CN(C(=O)NCc2ccccc2C[N@@H+]2CCC[C@H](C)C2)CC[C@@H]1[NH3+] ZINC000669125148 568086065 /nfs/dbraw/zinc/08/60/65/568086065.db2.gz OSIGYYJIDVMQRW-UEXGIBASSA-N 2 0 372.557 3.187 20 0 FGADRP [NH3+]C1(CNC(=O)Nc2ccc(F)c(F)c2)CC[NH+](Cc2ccccc2)CC1 ZINC000623068943 568156778 /nfs/dbraw/zinc/15/67/78/568156778.db2.gz PLPFZXUXUHVCFD-UHFFFAOYSA-N 2 0 374.435 3.080 20 0 FGADRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@@H]1CCCc2cc(-c3nn[nH]n3)ccc21 ZINC000825413059 608495203 /nfs/dbraw/zinc/49/52/03/608495203.db2.gz WZIWYLSVWSPLFF-DNVCBOLYSA-N 2 0 356.518 3.344 20 0 FGADRP c1cc2c(cc1-c1nn[nH]n1)CCC[C@@H]2[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000826517486 608516617 /nfs/dbraw/zinc/51/66/17/608516617.db2.gz DWPYQKADVJGYCB-FQEVSTJZSA-N 2 0 366.513 3.241 20 0 FGADRP C[C@H]([NH2+]CCCC[NH+]1CCC(C)CC1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824953278 609133418 /nfs/dbraw/zinc/13/34/18/609133418.db2.gz DDELSBINVKMZNI-HNNXBMFYSA-N 2 0 360.481 3.169 20 0 FGADRP CC[NH+](CC)CCSCC(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000073106216 695966042 /nfs/dbraw/zinc/96/60/42/695966042.db2.gz IOHXMSZNHCYLPC-UHFFFAOYSA-N 2 0 369.619 3.222 20 0 FGADRP C[N@@H+]1CCCN(CCC[NH2+]Cc2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000119096237 700619982 /nfs/dbraw/zinc/61/99/82/700619982.db2.gz UGUPKKMNJOZPPW-UHFFFAOYSA-N 2 0 363.855 3.476 20 0 FGADRP CC(C)(C)OC(=O)N1CCC(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)CC1 ZINC000150829393 704902894 /nfs/dbraw/zinc/90/28/94/704902894.db2.gz DEKYCGWXDWRZFR-SFHVURJKSA-N 2 0 351.535 3.051 20 0 FGADRP CN(C[C@H]1CCC[N@H+](CCC[NH+]2CCCCC2)C1)C(=O)OC(C)(C)C ZINC000161308061 705273291 /nfs/dbraw/zinc/27/32/91/705273291.db2.gz OQONPMBUWRZLNW-GOSISDBHSA-N 2 0 353.551 3.441 20 0 FGADRP C[C@H](C[NH2+]CC1CCN(C(=O)OC(C)(C)C)CC1)C[NH+]1CCCCC1 ZINC000177552537 705627579 /nfs/dbraw/zinc/62/75/79/705627579.db2.gz UQQNWFCUMCSZBX-QGZVFWFLSA-N 2 0 353.551 3.345 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1CCC[NH2+]CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000177549939 705627763 /nfs/dbraw/zinc/62/77/63/705627763.db2.gz MJMPTVCVPKGVQL-QGZVFWFLSA-N 2 0 353.551 3.488 20 0 FGADRP COc1ccc([C@@H](C)[NH2+]C[C@@]2(O)CCSC2)cc1C[NH+]1CCCCC1 ZINC000183069599 705875975 /nfs/dbraw/zinc/87/59/75/705875975.db2.gz ZKFXAQUXLSLJOI-UZLBHIALSA-N 2 0 364.555 3.200 20 0 FGADRP CC[NH+]1CCC(CC[NH2+]C[C@]2(C)CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000195209120 713549435 /nfs/dbraw/zinc/54/94/35/713549435.db2.gz JGDUWVMBLFLWCT-FQEVSTJZSA-N 2 0 353.551 3.345 20 0 FGADRP CC(C)(C)OC(=O)N1CC[C@H](C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)C1 ZINC000247548866 713642138 /nfs/dbraw/zinc/64/21/38/713642138.db2.gz PSIPWNTZXKJQTR-ZWKOTPCHSA-N 2 0 351.535 3.051 20 0 FGADRP C[NH2+]CCC1CC[NH+](Cc2ccc(OC)c(OC)c2Br)CC1 ZINC000262008938 713717112 /nfs/dbraw/zinc/71/71/12/713717112.db2.gz SPCRUHAEWJJYCX-UHFFFAOYSA-N 2 0 371.319 3.288 20 0 FGADRP Clc1ccc(OC[C@H]2CCCO2)c(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)c1 ZINC000262029380 713717533 /nfs/dbraw/zinc/71/75/33/713717533.db2.gz NWNDDUYAAQKYJJ-GOSISDBHSA-N 2 0 364.917 3.473 20 0 FGADRP C[C@H]([NH2+][C@@H](C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)C1CC[NH+](C)CC1 ZINC000301644451 713782278 /nfs/dbraw/zinc/78/22/78/713782278.db2.gz USNJAIDCQWOXAX-XYJFISCASA-N 2 0 353.551 3.342 20 0 FGADRP C(C[NH+]1CCC(OCC2CC2)CC1)C[NH+]1CCC(OCC2CC2)CC1 ZINC000374096613 713899117 /nfs/dbraw/zinc/89/91/17/713899117.db2.gz YSWBCQCDSLYEBG-UHFFFAOYSA-N 2 0 350.547 3.159 20 0 FGADRP C[N@H+](CCCCC(=O)OC(C)(C)C)C1CC[NH+](C2CCOCC2)CC1 ZINC000374633443 713935686 /nfs/dbraw/zinc/93/56/86/713935686.db2.gz VPXMOUWCFUZBSL-UHFFFAOYSA-N 2 0 354.535 3.074 20 0 FGADRP CO[C@@H](C[N@@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1)c1ccc(Cl)cc1 ZINC000374783606 713943520 /nfs/dbraw/zinc/94/35/20/713943520.db2.gz WUURDEDCHYYZGR-UXHICEINSA-N 2 0 365.949 3.128 20 0 FGADRP CC[NH+]1CCC(C[NH2+][C@H]2CCCC[C@H]2CNC(=O)OC(C)(C)C)CC1 ZINC000384457588 713982124 /nfs/dbraw/zinc/98/21/24/713982124.db2.gz ZZEVZDAEWPWFAD-ROUUACIJSA-N 2 0 353.551 3.391 20 0 FGADRP C[C@H](C[C@H]1CCCN1C(=O)OC(C)(C)C)[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000385422805 713983195 /nfs/dbraw/zinc/98/31/95/713983195.db2.gz GZUBRKAQCBXICA-IAGOWNOFSA-N 2 0 353.551 3.486 20 0 FGADRP CCOc1c(Br)cc(C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)cc1OC ZINC000414911267 714005640 /nfs/dbraw/zinc/00/56/40/714005640.db2.gz DSCGKMGZORCFFE-CHWSQXEVSA-N 2 0 357.292 3.216 20 0 FGADRP CO[C@H](CC(C)C)C[N@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000419225304 714010864 /nfs/dbraw/zinc/01/08/64/714010864.db2.gz CIHDQAQXSJIWDF-OAQYLSRUSA-N 2 0 353.595 3.176 20 0 FGADRP C[C@H]1CCCC[N@@H+]1CCC(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457071499 714064212 /nfs/dbraw/zinc/06/42/12/714064212.db2.gz PWXKCJFMJJIDFS-HNNXBMFYSA-N 2 0 363.468 3.126 20 0 FGADRP CC[C@H](C(=O)NCC1CC[NH+](Cc2cccs2)CC1)[NH+](CC)CC ZINC000524037637 714265328 /nfs/dbraw/zinc/26/53/28/714265328.db2.gz HMQYNTVPLQKPFF-GOSISDBHSA-N 2 0 351.560 3.197 20 0 FGADRP C[C@H](NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1cc2ccccc2s1 ZINC000526951015 714414632 /nfs/dbraw/zinc/41/46/32/714414632.db2.gz ILUORMFGCAUIFE-HNNXBMFYSA-N 2 0 362.543 3.097 20 0 FGADRP Cc1ccc(Cl)c(OC[C@H](O)C[NH2+]C2CC[NH+](C3CCCC3)CC2)c1 ZINC000562992735 714438590 /nfs/dbraw/zinc/43/85/90/714438590.db2.gz WXUNOZDTJRPVBJ-GOSISDBHSA-N 2 0 366.933 3.385 20 0 FGADRP CN(CCC[NH2+]Cc1cnc(-c2c(F)cccc2F)s1)CC[NH+](C)C ZINC000623087285 715162662 /nfs/dbraw/zinc/16/26/62/715162662.db2.gz JBGFMZVPJHPVBY-UHFFFAOYSA-N 2 0 368.497 3.061 20 0 FGADRP Brc1ccc([C@@H]([NH2+]CC2=CC[NH2+]CC2)[C@H]2CCCO2)cc1 ZINC000643520314 718037581 /nfs/dbraw/zinc/03/75/81/718037581.db2.gz MAQXPFGLGPRUCM-IAGOWNOFSA-N 2 0 351.288 3.179 20 0 FGADRP C[NH+](C)[C@@H](CNC(=O)NC[C@H]1CC[N@@H+]1C1CCCCC1)c1ccsc1 ZINC000623409330 715329762 /nfs/dbraw/zinc/32/97/62/715329762.db2.gz ZDKAMYZSCABXFZ-MSOLQXFVSA-N 2 0 364.559 3.057 20 0 FGADRP C[C@H]([NH2+]C[C@@H]1CCCN1CC(F)F)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000624096060 715471259 /nfs/dbraw/zinc/47/12/59/715471259.db2.gz SFRJGQNJUVCCFG-WDSOQIARSA-N 2 0 351.485 3.216 20 0 FGADRP COCCOc1ccc([C@@H](C)[NH2+]C[C@H]2CCCC[N@H+](C)C2)cc1OC ZINC000624121252 715477667 /nfs/dbraw/zinc/47/76/67/715477667.db2.gz RFQQIFRFBBKHSC-IAGOWNOFSA-N 2 0 350.503 3.103 20 0 FGADRP C[C@H](CCC[NH3+])NC(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000627096032 715996118 /nfs/dbraw/zinc/99/61/18/715996118.db2.gz PFBGGUAUJTTYQZ-IAQYHMDHSA-N 2 0 361.317 3.023 20 0 FGADRP CCN1CC[NH+](CCCC[NH2+]CCc2cccc(C(F)(F)F)c2)CC1 ZINC000628202063 716124219 /nfs/dbraw/zinc/12/42/19/716124219.db2.gz GEQDSXMYJDQZTN-UHFFFAOYSA-N 2 0 357.464 3.255 20 0 FGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]CCc2cccc(C(F)(F)F)c2)CC1 ZINC000628213403 716126397 /nfs/dbraw/zinc/12/63/97/716126397.db2.gz JIDZRUAMMPFWTF-INIZCTEOSA-N 2 0 357.464 3.111 20 0 FGADRP [NH3+]CCCOCC[NH2+]Cc1cnc(-c2ccc(Br)cc2)s1 ZINC000629399481 716282286 /nfs/dbraw/zinc/28/22/86/716282286.db2.gz HQGUIGGGTWCEKT-UHFFFAOYSA-N 2 0 370.316 3.028 20 0 FGADRP C[NH2+]CCOCC[NH2+][C@@H](C)c1cnn(-c2ccc(Cl)cc2Cl)c1C ZINC000629528786 716303500 /nfs/dbraw/zinc/30/35/00/716303500.db2.gz JCPFZRUPQFUJIA-LBPRGKRZSA-N 2 0 371.312 3.374 20 0 FGADRP [NH3+]Cc1cc(=O)[nH]c(C[NH2+]CCCCc2ccc(Cl)c(Cl)c2)n1 ZINC000629652152 716328666 /nfs/dbraw/zinc/32/86/66/716328666.db2.gz BKGSWVXLCPWMPN-UHFFFAOYSA-N 2 0 355.269 3.060 20 0 FGADRP C[N@H+](CC(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1)C1CCC1 ZINC000629958590 716369768 /nfs/dbraw/zinc/36/97/68/716369768.db2.gz OHRVMCVCBRJQPL-UHFFFAOYSA-N 2 0 363.933 3.153 20 0 FGADRP FC1(F)CC[C@H](C[NH+]2CCC(c3cc(C4CC[NH2+]CC4)[nH]n3)CC2)C1 ZINC000631830369 716687778 /nfs/dbraw/zinc/68/77/78/716687778.db2.gz QIVBKGKURFZUAT-AWEZNQCLSA-N 2 0 352.473 3.492 20 0 FGADRP CCC1([NH+]2CCCC2)CCN(C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)CC1 ZINC000633103158 716866402 /nfs/dbraw/zinc/86/64/02/716866402.db2.gz LQKYZPLOVCLOPJ-KRWDZBQOSA-N 2 0 352.567 3.013 20 0 FGADRP c1cc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)cc(N2CCSCC2)n1 ZINC000635009940 717139454 /nfs/dbraw/zinc/13/94/54/717139454.db2.gz PFKADRSEOSMRLS-GBESFXJTSA-N 2 0 360.571 3.035 20 0 FGADRP C[C@H](Cc1ccc(Br)cc1)[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000638368564 717440561 /nfs/dbraw/zinc/44/05/61/717440561.db2.gz AKVUABVUCKUDHH-CQSZACIVSA-N 2 0 369.347 3.205 20 0 FGADRP COc1nsc(C[NH2+]CCCCC[NH+]2CCCC2)c1Br ZINC000639211501 717532458 /nfs/dbraw/zinc/53/24/58/717532458.db2.gz UFZCJLOALGUYFJ-UHFFFAOYSA-N 2 0 362.337 3.270 20 0 FGADRP C[NH+](C)[C@H]1CCC[C@@H]([NH2+]CCC(=O)Nc2cccc(Br)c2)C1 ZINC000644583764 718128339 /nfs/dbraw/zinc/12/83/39/718128339.db2.gz AOMLZLKFMSFORV-ZBFHGGJFSA-N 2 0 368.319 3.240 20 0 FGADRP C[NH+](C)C1CCC([NH2+]C[C@H](O)COc2cc(Cl)ccc2Cl)CC1 ZINC000644675148 718140665 /nfs/dbraw/zinc/14/06/65/718140665.db2.gz VBLYYAQXDIQZOE-NRXISQOPSA-N 2 0 361.313 3.196 20 0 FGADRP COc1ccc(Br)cc1C1([NH2+]C[C@@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000647552690 718367496 /nfs/dbraw/zinc/36/74/96/718367496.db2.gz QWIDERSOMPWLGP-QWHCGFSZSA-N 2 0 353.304 3.425 20 0 FGADRP Fc1cc(Br)ccc1CCC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000647785623 718377786 /nfs/dbraw/zinc/37/77/86/718377786.db2.gz CIYJNIZYYRJYJW-SQWLQELKSA-N 2 0 355.295 3.499 20 0 FGADRP Brc1ccc(N2CC[C@H]([NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@H]4C3)C2)cc1 ZINC000647784222 718377807 /nfs/dbraw/zinc/37/78/07/718377807.db2.gz MQISYBOMHIQMOH-ABFRBSLYSA-N 2 0 364.331 3.006 20 0 FGADRP FC(F)(F)c1ccc(N2CC[C@H]([NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@@H]4C3)C2)cc1 ZINC000647786743 718377829 /nfs/dbraw/zinc/37/78/29/718377829.db2.gz XXBDZGMQUWEETN-DIECFANBSA-N 2 0 353.432 3.262 20 0 FGADRP c1ccc2sc(N3CCC([NH2+][C@@H]4CC[C@@H]5C[NH2+]C[C@@H]5C4)CC3)nc2c1 ZINC000647792321 718377893 /nfs/dbraw/zinc/37/78/93/718377893.db2.gz ZEZUJOMCGOGGDR-HLLBOEOZSA-N 2 0 356.539 3.243 20 0 FGADRP Brc1cncc([C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)C2CC2)c1 ZINC000647797057 718378147 /nfs/dbraw/zinc/37/81/47/718378147.db2.gz WQEVKUCERQKODH-BQGCOEIASA-N 2 0 350.304 3.273 20 0 FGADRP CSc1cccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC000647976583 718391474 /nfs/dbraw/zinc/39/14/74/718391474.db2.gz QKBZMBZDXCCNJF-GVDBMIGSSA-N 2 0 361.555 3.447 20 0 FGADRP C[N@H+](Cc1cc2cc(Cl)cnc2o1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000648586028 718438252 /nfs/dbraw/zinc/43/82/52/718438252.db2.gz VJIURSRBXBSJBY-KRWDZBQOSA-N 2 0 362.905 3.082 20 0 FGADRP CC[NH+](CC)Cc1ccc(CNC(=O)[C@H]([NH3+])c2cccc(Cl)c2)cc1 ZINC000649281643 718500799 /nfs/dbraw/zinc/50/07/99/718500799.db2.gz YMOHRDDUYLZUKV-LJQANCHMSA-N 2 0 359.901 3.498 20 0 FGADRP O=C(C[N@@H+]1CCC12CCCC2)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000649657558 718545846 /nfs/dbraw/zinc/54/58/46/718545846.db2.gz DSQNQAMDLQQMDO-UHFFFAOYSA-N 2 0 359.539 3.192 20 0 FGADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@H+](Cc3ccc(Br)c(F)c3)C2)C1 ZINC000650708174 718717257 /nfs/dbraw/zinc/71/72/57/718717257.db2.gz UVWRAHKPDASCDP-CPUCHLNUSA-N 2 0 371.294 3.307 20 0 FGADRP COc1cc(C[N@@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)ccc1SC ZINC000650723675 718721353 /nfs/dbraw/zinc/72/13/53/718721353.db2.gz RPFFIEOXYNZTKP-GVDBMIGSSA-N 2 0 350.528 3.278 20 0 FGADRP Cc1ccc(S(=O)(=O)[C@H]2CCCC[C@@H]2[NH2+]CCC2CC[NH2+]CC2)cc1 ZINC000650763428 718724639 /nfs/dbraw/zinc/72/46/39/718724639.db2.gz ZZRRSGOLLQGPNP-PMACEKPBSA-N 2 0 364.555 3.059 20 0 FGADRP CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+]Cc2ccccc2C[NH2+]C)cc1 ZINC000650758413 718724746 /nfs/dbraw/zinc/72/47/46/718724746.db2.gz PDGISFQILDWFAA-HNNXBMFYSA-N 2 0 361.511 3.018 20 0 FGADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](CC)c2cc(OC)c(OC)c(OC)c2)C1 ZINC000652143236 718916691 /nfs/dbraw/zinc/91/66/91/718916691.db2.gz SRSMCZBIZFEJKX-NVXWUHKLSA-N 2 0 350.503 3.485 20 0 FGADRP CC[C@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)c1cc(OC)c(OC)c(OC)c1 ZINC000652208652 718923111 /nfs/dbraw/zinc/92/31/11/718923111.db2.gz KUKZGJDWKHKTTR-RDJZCZTQSA-N 2 0 350.503 3.485 20 0 FGADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@H+](CCCOc3ccc(Cl)cc3)C2)C1 ZINC000652347015 718934805 /nfs/dbraw/zinc/93/48/05/718934805.db2.gz OEPSJTZWPOYKSQ-SUMDDJOVSA-N 2 0 352.906 3.327 20 0 FGADRP [NH3+]C[C@]12CCC[C@H]1C[N@H+](CCC(=O)Nc1cccc(C(F)(F)F)c1)C2 ZINC000652352228 718935822 /nfs/dbraw/zinc/93/58/22/718935822.db2.gz VEZRPFOHRIRCSG-YOEHRIQHSA-N 2 0 355.404 3.095 20 0 FGADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000652614038 718966357 /nfs/dbraw/zinc/96/63/57/718966357.db2.gz LPDOQVUQFUKGRX-HUUCEWRRSA-N 2 0 350.532 3.122 20 0 FGADRP CC(C)(CC[NH3+])NC(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000652613809 718966401 /nfs/dbraw/zinc/96/64/01/718966401.db2.gz DJGXNHBJFPLLHB-UHFFFAOYSA-N 2 0 350.532 3.123 20 0 FGADRP C[C@H](C[C@H](C)[NH3+])NC(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000652614039 718966463 /nfs/dbraw/zinc/96/64/63/718966463.db2.gz LPDOQVUQFUKGRX-LSDHHAIUSA-N 2 0 350.532 3.122 20 0 FGADRP Cc1ccc(-c2ncc(C[NH2+][C@H](C)CN3CC[NH+](C)CC3)s2)cc1C ZINC000655732995 719331322 /nfs/dbraw/zinc/33/13/22/719331322.db2.gz HMGOEOFSECYRJG-QGZVFWFLSA-N 2 0 358.555 3.152 20 0 FGADRP Cc1ccc(S(=O)(=O)[C@H]2CCCC[C@H]2[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)cc1 ZINC000655805330 719342128 /nfs/dbraw/zinc/34/21/28/719342128.db2.gz LWISIRQJMAYUHA-BWPNAZKDSA-N 2 0 364.555 3.010 20 0 FGADRP COc1ccc(C[NH2+]Cc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)cc1Cl ZINC000657594897 719681000 /nfs/dbraw/zinc/68/10/00/719681000.db2.gz KSFKJMUPDXGAKL-SFHVURJKSA-N 2 0 360.885 3.205 20 0 FGADRP C([NH2+][C@@H]1CCCC[C@@H]1[C@H]1CCOC1)C1CC[NH+](C2CCOCC2)CC1 ZINC000658071456 719751660 /nfs/dbraw/zinc/75/16/60/719751660.db2.gz XDJXXYXGFOZMRQ-CEWLAPEOSA-N 2 0 350.547 3.062 20 0 FGADRP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@@H](C)c1nc(C(F)(F)F)cs1 ZINC000658106196 719757057 /nfs/dbraw/zinc/75/70/57/719757057.db2.gz GKSXQFVNFNERLP-RYUDHWBXSA-N 2 0 352.470 3.085 20 0 FGADRP CC[NH+](CC)CCN(Cc1ccc(Cl)cc1)C(=O)N[C@H](C)C[C@@H](C)[NH3+] ZINC000659555386 719925626 /nfs/dbraw/zinc/92/56/26/719925626.db2.gz KVDUYNZSINHZDS-HZPDHXFCSA-N 2 0 368.953 3.319 20 0 FGADRP CC[NH+](CC)CC1CC[NH+](C[C@H]2CCCN(C(=O)C(C)(C)C)C2)CC1 ZINC000659842542 719943143 /nfs/dbraw/zinc/94/31/43/719943143.db2.gz BOYMYJZQTPQPLP-LJQANCHMSA-N 2 0 351.579 3.325 20 0 FGADRP FC1(F)C[C@@H]1OCC[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000660149008 719997410 /nfs/dbraw/zinc/99/74/10/719997410.db2.gz GAQWUSFUZDASEF-SFHVURJKSA-N 2 0 350.453 3.399 20 0 FGADRP CC[NH+]1CCC(N2CCC[N@H+](C[C@@H](OC)C3CCCCC3)CC2)CC1 ZINC000660832764 720131341 /nfs/dbraw/zinc/13/13/41/720131341.db2.gz BMINWAMOBZIBHA-OAQYLSRUSA-N 2 0 351.579 3.074 20 0 FGADRP CC[NH+]1CCC(N2CCC[N@H+](C[C@H](OC)C3CCCCC3)CC2)CC1 ZINC000660832763 720131370 /nfs/dbraw/zinc/13/13/70/720131370.db2.gz BMINWAMOBZIBHA-NRFANRHFSA-N 2 0 351.579 3.074 20 0 FGADRP Clc1ccc(O[C@@H]2CCC[N@H+](C[C@H]3CCC4(C[NH2+]C4)O3)C2)cc1Cl ZINC000662257483 720405321 /nfs/dbraw/zinc/40/53/21/720405321.db2.gz CZWRCBZHBYTPDY-HUUCEWRRSA-N 2 0 371.308 3.358 20 0 FGADRP FC(F)(F)c1ccc(C2CC[NH+](C[C@@H]3CCC4(C[NH2+]C4)O3)CC2)cc1 ZINC000662279077 720409046 /nfs/dbraw/zinc/40/90/46/720409046.db2.gz PQOYKQKUQQKRHA-KRWDZBQOSA-N 2 0 354.416 3.406 20 0 FGADRP O=C(CC[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1)NCc1ccccc1Cl ZINC000662291110 720410615 /nfs/dbraw/zinc/41/06/15/720410615.db2.gz PJJKJELPDFTGAS-KRWDZBQOSA-N 2 0 363.933 3.058 20 0 FGADRP CSc1cccc(NC(=O)[C@@H](C)[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)c1 ZINC000662290518 720410639 /nfs/dbraw/zinc/41/06/39/720410639.db2.gz FOAYJZNGJLQNOT-WBVHZDCISA-N 2 0 361.555 3.447 20 0 FGADRP C[NH+](C)[C@H](CNC(=O)c1ccc2c(c1)[C@H](C[NH3+])CCC2)c1cccs1 ZINC000662347410 720417395 /nfs/dbraw/zinc/41/73/95/720417395.db2.gz FLFANFWHYCYJDT-FUHWJXTLSA-N 2 0 357.523 3.159 20 0 FGADRP CCC[N@H+](C)CC(C)(C)NC(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000664299923 720620671 /nfs/dbraw/zinc/62/06/71/720620671.db2.gz ZGFGDOYYONTOCN-UHFFFAOYSA-N 2 0 352.567 3.203 20 0 FGADRP CC[C@H]([NH2+]C1CCN(C(=O)CCC[NH2+]C)CC1)c1ccc(Cl)s1 ZINC000665287313 720750015 /nfs/dbraw/zinc/75/00/15/720750015.db2.gz HVXXHBIDWSEWNL-AWEZNQCLSA-N 2 0 357.951 3.433 20 0 FGADRP C[NH+]1CCC(N2CCC([NH2+][C@H]3CCc4cccc(Cl)c4C3)CC2)CC1 ZINC000666086685 720887208 /nfs/dbraw/zinc/88/72/08/720887208.db2.gz WNPOUZVMMIQHMY-SFHVURJKSA-N 2 0 361.961 3.346 20 0 FGADRP CC(C)[N@H+](C)Cc1cnc2n1CCN(c1[nH+]ccc3c1ccn3C)[C@@H]2C ZINC001164856155 720940511 /nfs/dbraw/zinc/94/05/11/720940511.db2.gz BSVWQLPGMNPKDA-OAHLLOKOSA-N 2 0 352.486 3.191 20 0 FGADRP FC(F)(F)c1ccc(-c2n[nH]cc2C[NH2+][C@H]2CC23CC[NH2+]CC3)cc1 ZINC000666954332 721005208 /nfs/dbraw/zinc/00/52/08/721005208.db2.gz URZQCXSTIUEZQJ-HNNXBMFYSA-N 2 0 350.388 3.327 20 0 FGADRP CCC[N@H+](C)[C@H](CNC(=O)N1CCC(C)([NH3+])CC1)c1ccc(Cl)cc1 ZINC000669583614 721468928 /nfs/dbraw/zinc/46/89/28/721468928.db2.gz HEEUQYJXUNIOEX-QGZVFWFLSA-N 2 0 366.937 3.246 20 0 FGADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000670136242 721519218 /nfs/dbraw/zinc/51/92/18/721519218.db2.gz SHTMOXTVEJRQJJ-ZWKOTPCHSA-N 2 0 366.937 3.116 20 0 FGADRP Cc1[nH+]c(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)cc2[nH]ccc21 ZINC001164904655 721549354 /nfs/dbraw/zinc/54/93/54/721549354.db2.gz FWZLGJFUFCBRKZ-WMZOPIPTSA-N 2 0 366.440 3.352 20 0 FGADRP CC[C@H](C[NH+]1CCCC1)NC(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000675191745 721737128 /nfs/dbraw/zinc/73/71/28/721737128.db2.gz AXBBDTBFRIGXJP-QZTJIDSGSA-N 2 0 366.937 3.116 20 0 FGADRP Cc1c[nH+]c(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)c(N)c1 ZINC001165028910 721820477 /nfs/dbraw/zinc/82/04/77/721820477.db2.gz YCILGGKRZUZGAR-HQRMLTQVSA-N 2 0 351.498 3.104 20 0 FGADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H]2C[C@H]3CC[C@@H]([C@H]2C)N3C(=O)OC(C)(C)C)C1 ZINC000709293978 722412914 /nfs/dbraw/zinc/41/29/14/722412914.db2.gz XDKQWEBRQQFONT-TZNCUMHOSA-N 2 0 351.535 3.094 20 0 FGADRP C[C@H]([NH2+]CC[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C)C1CC[NH+](C)CC1 ZINC000721028185 722419674 /nfs/dbraw/zinc/41/96/74/722419674.db2.gz OZDWVUZYVSYJPZ-SOLBZPMBSA-N 2 0 353.551 3.199 20 0 FGADRP C[NH+](C)CCCCCCCNC(=O)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000729601413 722460923 /nfs/dbraw/zinc/46/09/23/722460923.db2.gz DISKABYXZSTVBF-LJQANCHMSA-N 2 0 352.567 3.158 20 0 FGADRP CCCCCC[N@H+](C)CC(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000731872396 722478764 /nfs/dbraw/zinc/47/87/64/722478764.db2.gz IAQUITUBMKGNGW-FQEVSTJZSA-N 2 0 351.579 3.469 20 0 FGADRP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=S)NCC(C)(C)C[NH+](C)C)C1 ZINC000733753328 722500587 /nfs/dbraw/zinc/50/05/87/722500587.db2.gz KNPSNQFALQEVMJ-ROUUACIJSA-N 2 0 368.635 3.035 20 0 FGADRP C[NH+](C)[C@H](CNC(=O)CCCC[NH+]1CCCC1)c1ccc(Cl)cc1 ZINC000746638777 722611947 /nfs/dbraw/zinc/61/19/47/722611947.db2.gz YRQCONDASFEJGJ-GOSISDBHSA-N 2 0 351.922 3.325 20 0 FGADRP C[C@H](CSC(C)(C)C)[NH2+][C@@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC000766120648 723556876 /nfs/dbraw/zinc/55/68/76/723556876.db2.gz AENJUUYNQWJQMK-NZSAHSFTSA-N 2 0 350.572 3.379 20 0 FGADRP C[N@@H+]1CC[C@H]([NH2+]CC2CCN(C(=O)OC(C)(C)C)CC2)[C@@H]2CCC[C@H]21 ZINC000796739064 723652799 /nfs/dbraw/zinc/65/27/99/723652799.db2.gz PEOUUDRNYCNZDG-OKZBNKHCSA-N 2 0 351.535 3.096 20 0 FGADRP COc1c(C)cc([C@H](C)[NH2+]CCCN2CCC[N@H+](C)CC2)cc1Cl ZINC000796766146 723653977 /nfs/dbraw/zinc/65/39/77/723653977.db2.gz SWTPCAPMRZVVLH-INIZCTEOSA-N 2 0 353.938 3.335 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@H](O)c2ccc(Cl)c(F)c2)[C@@H](C)C1 ZINC000773135266 723777482 /nfs/dbraw/zinc/77/74/82/723777482.db2.gz CEMVJKBMASJGOI-JVPBZIDWSA-N 2 0 372.912 3.239 20 0 FGADRP CCCCO[C@@H]1C[C@H]([NH2+]C2CCN(C3CC[NH+](C)CC3)CC2)C1(C)C ZINC000776160173 724115039 /nfs/dbraw/zinc/11/50/39/724115039.db2.gz MKCYJDYTMGVDKS-VQTJNVASSA-N 2 0 351.579 3.118 20 0 FGADRP Cc1nn(-c2ccc(Cl)cc2)c(Cl)c1C[NH2+]CCOCC[NH+](C)C ZINC000788071249 725042675 /nfs/dbraw/zinc/04/26/75/725042675.db2.gz LKSJUTVSJQEIHK-UHFFFAOYSA-N 2 0 371.312 3.155 20 0 FGADRP C[C@H](C[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1C)C[NH+]1CCCC1 ZINC000788548699 725072042 /nfs/dbraw/zinc/07/20/42/725072042.db2.gz SIOOGOLXDMAFET-KURKYZTESA-N 2 0 353.551 3.344 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+]Cc2ncc(C3OCCO3)s2)C1 ZINC000809606563 725251837 /nfs/dbraw/zinc/25/18/37/725251837.db2.gz WWNLIQYIUXQXLH-GASCZTMLSA-N 2 0 353.532 3.036 20 0 FGADRP C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)[C@@H]1[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000809717363 725262132 /nfs/dbraw/zinc/26/21/32/725262132.db2.gz GPIVIHPJELJDSK-UYTYNIKBSA-N 2 0 351.535 3.237 20 0 FGADRP Cc1nn(C)c2nc(Cl)c(C[N@@H+]3CC[C@H](C4CC[NH+](C)CC4)C3)cc12 ZINC000809755556 725265544 /nfs/dbraw/zinc/26/55/44/725265544.db2.gz KLOJVLPMTHOLBU-HNNXBMFYSA-N 2 0 361.921 3.094 20 0 FGADRP C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC000810165010 725294096 /nfs/dbraw/zinc/29/40/96/725294096.db2.gz JKVSFTYPRGUIND-PFRQMTDMSA-N 2 0 353.526 3.063 20 0 FGADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@H](C)[C@@H](O)c1c(F)cccc1Cl ZINC000817916974 727287737 /nfs/dbraw/zinc/28/77/37/727287737.db2.gz CAYCUXDNJVXZIE-GLUANWCPSA-N 2 0 351.853 3.414 20 0 FGADRP O[C@@H](C[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1ccc(Cl)cc1 ZINC000817931127 727288425 /nfs/dbraw/zinc/28/84/25/727288425.db2.gz IJZIKWCTOXIXHD-BJLQDIEVSA-N 2 0 358.869 3.219 20 0 FGADRP C[NH+](C)CC[C@H]([NH2+]C[C@@H](O)c1cccc(Br)c1)C(C)(C)C ZINC000819083239 727345821 /nfs/dbraw/zinc/34/58/21/727345821.db2.gz YJVBTXKJASAUOH-CVEARBPZSA-N 2 0 357.336 3.439 20 0 FGADRP C[C@H](CC[NH2+]C[C@H](O)c1ccc(OC(F)(F)F)cc1)[NH+]1CCCCC1 ZINC000819231495 727360272 /nfs/dbraw/zinc/36/02/72/727360272.db2.gz XIZCQFKAJWECME-PBHICJAKSA-N 2 0 360.420 3.473 20 0 FGADRP C[NH+](C)CCc1ccc(C[NH2+]C[C@H](O)c2ccc(F)cc2Cl)cc1 ZINC000819252048 727361557 /nfs/dbraw/zinc/36/15/57/727361557.db2.gz NEJZORKVCDGCPR-IBGZPJMESA-N 2 0 350.865 3.406 20 0 FGADRP C[C@@H]1C[C@H](C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)CCN1C(=O)OC(C)(C)C ZINC000823666702 729297459 /nfs/dbraw/zinc/29/74/59/729297459.db2.gz QNVZJOAHEQMZCN-BDXSIMOUSA-N 2 0 351.535 3.238 20 0 FGADRP CC[NH+](CC)CCC[C@@H](C)NC(=O)C[C@@H]([NH3+])c1cc(C)nc(Cl)c1 ZINC000831769628 729666589 /nfs/dbraw/zinc/66/65/89/729666589.db2.gz UEKQBQYYKANYMR-CZUORRHYSA-N 2 0 354.926 3.060 20 0 FGADRP CC(C)n1ncc2cc(C[NH2+]Cc3ccc(CC[NH3+])cc3)c(Cl)nc21 ZINC000841032776 730204789 /nfs/dbraw/zinc/20/47/89/730204789.db2.gz XOZWZHXIMGIDEM-UHFFFAOYSA-N 2 0 357.889 3.457 20 0 FGADRP Cc1ccc(-n2c(Cl)c(C[NH2+][C@@H]3CC[C@H](C[NH3+])C3)nc2N(C)C)cc1 ZINC000841084931 730208824 /nfs/dbraw/zinc/20/88/24/730208824.db2.gz QIRRWCBIMXJITQ-LSDHHAIUSA-N 2 0 361.921 3.117 20 0 FGADRP CCCCn1nc(C)c(C[NH+]2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)c1Cl ZINC000841103681 730211778 /nfs/dbraw/zinc/21/17/78/730211778.db2.gz IEXLXAKZUJMDJM-AEFFLSMTSA-N 2 0 368.953 3.363 20 0 FGADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@H]2C[C@@H](C)CN(C(=O)OC(C)(C)C)C2)C1 ZINC000843399558 730614904 /nfs/dbraw/zinc/61/49/04/730614904.db2.gz KYYOJDWVIUMLJM-KURKYZTESA-N 2 0 353.551 3.342 20 0 FGADRP [NH3+]CCCCCC[NH+]1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000846217460 730937241 /nfs/dbraw/zinc/93/72/41/730937241.db2.gz INBKBQNFLYANKM-UHFFFAOYSA-N 2 0 358.313 3.270 20 0 FGADRP CC(C)[NH+](CCNC(=[NH2+])N1CCN(c2ccc(Cl)cc2)CC1)C(C)C ZINC000849053878 731224750 /nfs/dbraw/zinc/22/47/50/731224750.db2.gz UCTYCYXOIUIDTC-UHFFFAOYSA-N 2 0 365.953 3.105 20 0 FGADRP CC(C)[N@@H+]1CCC[C@H](CNC(=[NH2+])NCc2cccc(C(F)(F)F)c2)C1 ZINC000849091184 731228043 /nfs/dbraw/zinc/22/80/43/731228043.db2.gz XWFWSIRVJVOPPS-OAHLLOKOSA-N 2 0 356.436 3.440 20 0 FGADRP COC(OC)c1ccc(F)c(C[NH2+]CC2CC[NH+](CC3CC3)CC2)c1 ZINC000850419667 731355031 /nfs/dbraw/zinc/35/50/31/731355031.db2.gz GPNMJMMOHLPGKI-UHFFFAOYSA-N 2 0 350.478 3.329 20 0 FGADRP O[C@@H](C[NH2+]CC1CC[NH+](CC2CC2)CC1)c1ccccc1C(F)(F)F ZINC000853134154 731669487 /nfs/dbraw/zinc/66/94/87/731669487.db2.gz JTZVPBWXOSBFAC-SFHVURJKSA-N 2 0 356.432 3.450 20 0 FGADRP C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)CN1C(=O)OC(C)(C)C ZINC000858532300 732224636 /nfs/dbraw/zinc/22/46/36/732224636.db2.gz LZXNBDHODGPBKT-ILOCAZANSA-N 2 0 351.535 3.237 20 0 FGADRP C[C@@H]([NH2+]C[C@H](C)CN1CC[NH+](C)CC1)c1cc2c(ccnc2Cl)o1 ZINC000866260596 733330417 /nfs/dbraw/zinc/33/04/17/733330417.db2.gz VSUFXAMVQWNHJL-UONOGXRCSA-N 2 0 350.894 3.015 20 0 FGADRP COc1ccc([C@@H](C)[NH2+]CC[C@H](O)C(F)F)cc1C[NH+]1CCCCC1 ZINC000866442214 733350292 /nfs/dbraw/zinc/35/02/92/733350292.db2.gz HCTWTUJHXLAWIV-PBHICJAKSA-N 2 0 356.457 3.348 20 0 FGADRP C[C@@H]([NH2+]Cc1nc(-c2ccc(Br)cc2)c[nH]1)C1CC[NH2+]CC1 ZINC000873221573 735739622 /nfs/dbraw/zinc/73/96/22/735739622.db2.gz XMSHQIVAHHPBNW-GFCCVEGCSA-N 2 0 363.303 3.317 20 0 FGADRP C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+][C@@H](C)C1CC[NH2+]CC1 ZINC000873222559 735739746 /nfs/dbraw/zinc/73/97/46/735739746.db2.gz ZRGXVJUGVDPSCI-STQMWFEESA-N 2 0 357.420 3.400 20 0 FGADRP C[C@H]([NH2+][C@@H](C)C1CC[NH2+]CC1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000873271069 735744914 /nfs/dbraw/zinc/74/49/14/735744914.db2.gz DOMTVEKVYLSDHZ-HOTGVXAUSA-N 2 0 364.555 3.442 20 0 FGADRP Brc1cc2c(s1)CC[C@@H]2[NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873294763 735747666 /nfs/dbraw/zinc/74/76/66/735747666.db2.gz ZMGIQVRTBRZYRR-AAEUAGOBSA-N 2 0 371.344 3.246 20 0 FGADRP Nc1c(Cl)cccc1C[NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000876875156 736156905 /nfs/dbraw/zinc/15/69/05/736156905.db2.gz QMGKPTRCMQMVNY-UHFFFAOYSA-N 2 0 359.901 3.169 20 0 FGADRP C[N@@H+]1CCN(CC[NH2+]Cc2cc3nc(Cl)ccc3s2)CC1(C)C ZINC000877499405 736672733 /nfs/dbraw/zinc/67/27/33/736672733.db2.gz PBXFFRHQTHMWPV-UHFFFAOYSA-N 2 0 352.935 3.065 20 0 FGADRP CCO[P@](C)(=O)CC[C@@H](C)[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000877620285 736694639 /nfs/dbraw/zinc/69/46/39/736694639.db2.gz FPHTYDOLTIKCDL-GYCJOSAFSA-N 2 0 360.479 3.190 20 0 FGADRP C[NH+](C)C[C@@H]1CN(Cc2csc(-c3cccs3)n2)C[C@H]1C[NH+](C)C ZINC000877669766 736702053 /nfs/dbraw/zinc/70/20/53/736702053.db2.gz YKOIQLANCLSNER-HUUCEWRRSA-N 2 0 364.584 3.043 20 0 FGADRP C[N@@H+]1CC[C@@H]2CN(CCC(=O)Nc3ccccc3C(F)(F)F)CC[C@@H]21 ZINC000879576352 737010107 /nfs/dbraw/zinc/01/01/07/737010107.db2.gz BSPOAZGGLSWFLB-CJNGLKHVSA-N 2 0 355.404 3.060 20 0 FGADRP CC(C)[N@H+](C)Cc1ccccc1C[NH2+]Cc1c2c(nn1C)CCSC2 ZINC000882889292 737501474 /nfs/dbraw/zinc/50/14/74/737501474.db2.gz WPHPTVGTNKQKLC-UHFFFAOYSA-N 2 0 358.555 3.339 20 0 FGADRP c1csc(C[NH+]2CCC(C[NH2+][C@H]3CCOC4(CCOCC4)C3)CC2)c1 ZINC000885955860 739202716 /nfs/dbraw/zinc/20/27/16/739202716.db2.gz CORJIWKNEXOFSR-SFHVURJKSA-N 2 0 364.555 3.278 20 0 FGADRP [NH3+]CCCCCCCN1CCn2c(Cc3ccccc3Cl)nnc2C1 ZINC000886857923 739311898 /nfs/dbraw/zinc/31/18/98/739311898.db2.gz FUSCTTRBHSKXAS-UHFFFAOYSA-N 2 0 361.921 3.247 20 0 FGADRP CC(C)(C)[C@]1(C[NH3+])CCN(C(=O)NCCCCC[NH+]2CCCCC2)C1 ZINC000891577414 739916847 /nfs/dbraw/zinc/91/68/47/739916847.db2.gz RZFOKMAJZHQFKN-FQEVSTJZSA-N 2 0 352.567 3.049 20 0 FGADRP C[N@@H+]1CCC[C@@H](CNC(=O)NC2(C[NH3+])CCCCC2)[C@@H]1c1cccs1 ZINC000891597158 739919441 /nfs/dbraw/zinc/91/94/41/739919441.db2.gz LCFPLYAVFWHZGY-DOTOQJQBSA-N 2 0 364.559 3.092 20 0 FGADRP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]CC2(C)CC[NH+](C)CC2)C[C@@H]1C(F)(F)F ZINC000893470357 742157540 /nfs/dbraw/zinc/15/75/40/742157540.db2.gz HOIQOSNCFOEIPX-KFWWJZLASA-N 2 0 364.452 3.218 20 0 FGADRP CC(C)[NH+]1CCC(O)(C[NH2+]Cc2cc3ccnc(Cl)c3s2)CC1 ZINC000894329829 742268737 /nfs/dbraw/zinc/26/87/37/742268737.db2.gz LBHKGOPFQYGCEG-UHFFFAOYSA-N 2 0 353.919 3.275 20 0 FGADRP CC[NH+](CC)CCC[C@H](C)[NH2+]Cc1sc(N2CCOCC2)nc1Cl ZINC000894385756 742276427 /nfs/dbraw/zinc/27/64/27/742276427.db2.gz XJVAASAGSVDOIV-AWEZNQCLSA-N 2 0 374.982 3.233 20 0 FGADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+]CC[C@H]2CCC[N@H+](C)C2)C[C@H]1C(F)(F)F ZINC000894858415 742343635 /nfs/dbraw/zinc/34/36/35/742343635.db2.gz FPRDFLOVJZMSEK-QKPAOTATSA-N 2 0 364.452 3.218 20 0 FGADRP c1cc(OCC[NH+]2CCCC2)ccc1C[NH2+]CCOC1CCSCC1 ZINC000898442974 742795763 /nfs/dbraw/zinc/79/57/63/742795763.db2.gz WDGFHFUOSAWSNU-UHFFFAOYSA-N 2 0 364.555 3.163 20 0 FGADRP [NH3+]C[C@H]1C[C@H]([NH2+][C@@H](c2cccc(Br)c2)C2CCOCC2)C1 ZINC000902486788 743748683 /nfs/dbraw/zinc/74/86/83/743748683.db2.gz RYLHYIYFRVJSFD-CSMYWGQOSA-N 2 0 353.304 3.244 20 0 FGADRP Clc1ccccc1C[NH+]1CCC(C[NH2+][C@@H]2CCO[C@@]23CCOC3)CC1 ZINC000903091874 743803749 /nfs/dbraw/zinc/80/37/49/743803749.db2.gz BRQHJJWIYSYPHK-WOJBJXKFSA-N 2 0 364.917 3.090 20 0 FGADRP FC(F)(F)c1cccc(OCC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)n1 ZINC000903130315 743810557 /nfs/dbraw/zinc/81/05/57/743810557.db2.gz LQIUMYPVXDELRV-LQDVMPOASA-N 2 0 355.404 3.227 20 0 FGADRP C[C@@H](C(=O)N(c1nccs1)C1CCCCC1)[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903496304 743856432 /nfs/dbraw/zinc/85/64/32/743856432.db2.gz IZGIBCUZEAXFNC-OWCLPIDISA-N 2 0 364.559 3.114 20 0 FGADRP c1ccc2sc(C3CC[NH+](C[C@H]4C[C@]5(CC[NH2+]C5)CO4)CC3)nc2c1 ZINC000903733251 743880038 /nfs/dbraw/zinc/88/00/38/743880038.db2.gz LIPWYGJDALPGTN-UZLBHIALSA-N 2 0 357.523 3.244 20 0 FGADRP CC(C)c1ccccc1NC(=O)C[C@H](C)[NH2+]C[C@@H]1C[NH2+]CCC1(F)F ZINC000903955941 743904704 /nfs/dbraw/zinc/90/47/04/743904704.db2.gz CHXOTINUBJMXMY-GJZGRUSLSA-N 2 0 353.457 3.362 20 0 FGADRP CC1([NH+]2CCC2)CCC([NH2+]C[C@H](O)c2cccc(Br)c2)CC1 ZINC000905599791 744035349 /nfs/dbraw/zinc/03/53/49/744035349.db2.gz CAKMMEMNUVWEBS-ADKAHSJRSA-N 2 0 367.331 3.479 20 0 FGADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[NH+](CCC(C)(C)C)CC2(C)C)CC[N@@H+]1C ZINC000940756953 762159223 /nfs/dbraw/zinc/15/92/23/762159223.db2.gz NSQYXXMFXDDKOP-KSZLIROESA-N 2 0 351.579 3.370 20 0 FGADRP CC[NH2+]Cc1cccc(NC(=O)c2cnc(CC3CC[NH2+]CC3)s2)c1 ZINC000911682902 757204194 /nfs/dbraw/zinc/20/41/94/757204194.db2.gz RPKPBZVXTPGSDS-UHFFFAOYSA-N 2 0 358.511 3.047 20 0 FGADRP CC(C)[C@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1cccc(C(F)(F)F)c1)C2 ZINC000922386374 758909130 /nfs/dbraw/zinc/90/91/30/758909130.db2.gz GZXQAZRZOIODQC-BRSBDYLESA-N 2 0 356.432 3.275 20 0 FGADRP CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3ncc(C(C)C)s3)C2)[C@@H]1C(C)C ZINC000922395653 758914860 /nfs/dbraw/zinc/91/48/60/758914860.db2.gz YBWSTJUWAGNGTP-LTDCPUDJSA-N 2 0 351.560 3.226 20 0 FGADRP CC[N@H+](CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)CC(=O)Nc1c(F)cccc1F ZINC000923299720 759097091 /nfs/dbraw/zinc/09/70/91/759097091.db2.gz WFSOBDWUKYDIGK-GOOCMWNKSA-N 2 0 351.441 3.146 20 0 FGADRP [NH3+]C[C@H]1CC2(CO1)CC[NH+](Cc1ncc(-c3ccc(Cl)cc3)o1)CC2 ZINC000923458007 759121992 /nfs/dbraw/zinc/12/19/92/759121992.db2.gz ZPVZCYKNXKGUFK-MRXNPFEDSA-N 2 0 361.873 3.325 20 0 FGADRP Cn1cc(-c2nc(C[NH+]3CCC([C@H]4CCC[NH2+]CC4)CC3)cs2)cn1 ZINC000923505768 759134328 /nfs/dbraw/zinc/13/43/28/759134328.db2.gz CFEHLNIYFZZXPP-HNNXBMFYSA-N 2 0 359.543 3.145 20 0 FGADRP C[NH+]1CCC(O)(C[NH2+]C(CCC(F)(F)F)CCC(F)(F)F)CC1 ZINC000925117221 759450281 /nfs/dbraw/zinc/45/02/81/759450281.db2.gz NXVUTMHXRIMFRH-UHFFFAOYSA-N 2 0 350.347 3.086 20 0 FGADRP [NH3+]CCC[C@@H]([NH2+]CC(=O)Nc1ccc(F)c(F)c1F)c1ccccc1 ZINC000925581869 759509220 /nfs/dbraw/zinc/50/92/20/759509220.db2.gz WRNDYIXWHKXFOI-CQSZACIVSA-N 2 0 351.372 3.112 20 0 FGADRP C[C@@H]1[C@H]2CC[C@@H](C[C@H]1[NH2+][C@@H]1CCN(c3cccc(Br)c3)C1)[NH2+]2 ZINC000925657369 759519426 /nfs/dbraw/zinc/51/94/26/759519426.db2.gz OBTKWTHJEVJQMM-BPSIQINWSA-N 2 0 364.331 3.146 20 0 FGADRP c1ccc2c(c1)SCC[C@H]2[NH2+]Cc1ccc(CN2CC[NH2+]CC2)cc1 ZINC000925808019 759546946 /nfs/dbraw/zinc/54/69/46/759546946.db2.gz JHCKDDRAZDHLPS-HXUWFJFHSA-N 2 0 353.535 3.419 20 0 FGADRP [NH3+]C1CCN(CC[NH2+][C@H]2CCc3c2cc(Br)cc3Cl)CC1 ZINC000925814161 759549156 /nfs/dbraw/zinc/54/91/56/759549156.db2.gz HEQCEUOHGRBNRK-INIZCTEOSA-N 2 0 372.738 3.103 20 0 FGADRP O=C1O[C@H](C[NH2+][C@@H]2CC[C@H](c3cccc(Cl)c3)C2)CC12CC[NH2+]CC2 ZINC000925852072 759558423 /nfs/dbraw/zinc/55/84/23/759558423.db2.gz ZTTLVPYHOAOANT-JQHSSLGASA-N 2 0 362.901 3.251 20 0 FGADRP C[C@@H]([NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ccc(C(F)(F)F)cc1 ZINC000925854483 759559134 /nfs/dbraw/zinc/55/91/34/759559134.db2.gz NBHWWFXDCXGICP-IUODEOHRSA-N 2 0 356.388 3.041 20 0 FGADRP COC(=O)c1nc(C[NH2+][C@H](C)c2cccc(C[NH+](C)C)c2)ccc1Cl ZINC000926693052 759804133 /nfs/dbraw/zinc/80/41/33/759804133.db2.gz QSQWDTXDOIWDSL-CYBMUJFWSA-N 2 0 361.873 3.434 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCC[C@H](C(F)(F)F)O2)[C@H](C)C1 ZINC000926915570 759848092 /nfs/dbraw/zinc/84/80/92/759848092.db2.gz LTYCOPNZYQVUBL-LTIDMASMSA-N 2 0 366.468 3.213 20 0 FGADRP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+][C@H]2C[C@@H](O)C23CCOCC3)CC1 ZINC000927157830 759909309 /nfs/dbraw/zinc/90/93/09/759909309.db2.gz XVEVXEBVZMDAAM-ZWKOTPCHSA-N 2 0 352.563 3.185 20 0 FGADRP CC(C)(C)[NH2+]CCC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000929453565 760388716 /nfs/dbraw/zinc/38/87/16/760388716.db2.gz HVXOEAFDIDXDFR-UHFFFAOYSA-N 2 0 351.922 3.199 20 0 FGADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1ccc(C(F)F)c(F)c1 ZINC000932683659 761217870 /nfs/dbraw/zinc/21/78/70/761217870.db2.gz BTEZJQIZIXIOML-UHFFFAOYSA-N 2 0 359.436 3.109 20 0 FGADRP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)C2C[NH+](Cc3cc(C)sc3C)C2)CC[N@@H+]1C ZINC000969707567 762861489 /nfs/dbraw/zinc/86/14/89/762861489.db2.gz BLVKQFCZTKFDES-ZOCIIQOWSA-N 2 0 363.571 3.032 20 0 FGADRP Cc1cc(Cl)ccc1C[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000971560737 762912529 /nfs/dbraw/zinc/91/25/29/762912529.db2.gz JJWVFOSHDXSAMW-ATZDWAIDSA-N 2 0 363.933 3.021 20 0 FGADRP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]([NH+](C)Cc3cccc(Cl)c3)C2)CC[N@@H+]1C ZINC000971568163 762914093 /nfs/dbraw/zinc/91/40/93/762914093.db2.gz WLIHBECUWUOMLS-CEXWTWQISA-N 2 0 363.933 3.103 20 0 FGADRP CCC(CC)C[NH+]1CCC([C@H](C)NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC000997597380 765069297 /nfs/dbraw/zinc/06/92/97/765069297.db2.gz UKVURVBQRIZOGV-FFZOFVMBSA-N 2 0 351.579 3.370 20 0 FGADRP Cc1cc(Cl)ccc1C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000999191287 765143797 /nfs/dbraw/zinc/14/37/97/765143797.db2.gz XDASYGCIIXJPAL-AYOQOUSVSA-N 2 0 363.933 3.069 20 0 FGADRP Cc1cccc(Cl)c1CN1CCC[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001007375639 765590379 /nfs/dbraw/zinc/59/03/79/765590379.db2.gz FLPOPQHVSLHOJR-IXDOHACOSA-N 2 0 363.933 3.069 20 0 FGADRP Cc1cc(C[NH+](C)C[C@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cs1 ZINC001017132549 765830678 /nfs/dbraw/zinc/83/06/78/765830678.db2.gz LGIQWHIYDYNBDK-ZHALLVOQSA-N 2 0 363.571 3.067 20 0 FGADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc(Cl)cc3C)C2)CC[N@@H+]1C ZINC001020174917 765867342 /nfs/dbraw/zinc/86/73/42/765867342.db2.gz XWDIALLGAZCRBD-CADBVGFASA-N 2 0 363.933 3.116 20 0 FGADRP C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1)c1ccc(F)c(Cl)c1 ZINC001022105052 765974165 /nfs/dbraw/zinc/97/41/65/765974165.db2.gz MSEANGPQYIPUAF-FHXAZYNBSA-N 2 0 367.896 3.117 20 0 FGADRP CC[C@@H]1[C@@H](C(=O)N2CC[C@H](C[NH2+]Cc3ccccc3Cl)C2)CC[N@@H+]1C ZINC001026855712 766083455 /nfs/dbraw/zinc/08/34/55/766083455.db2.gz MCTRERQRMGQRQY-HHXXYDBFSA-N 2 0 363.933 3.008 20 0 FGADRP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CC[NH+](Cc3ccccc3Cl)C2)CC[N@@H+]1C ZINC001028552164 766124402 /nfs/dbraw/zinc/12/44/02/766124402.db2.gz IEWGGKDPFRBTIN-HHXXYDBFSA-N 2 0 363.933 3.008 20 0 FGADRP C[C@@H]1[C@H](C(=O)N[C@H]2CC[C@H]([NH2+]Cc3cccc(Cl)c3)CC2)CC[N@@H+]1C ZINC001034647395 766243429 /nfs/dbraw/zinc/24/34/29/766243429.db2.gz GVFSHMCRXSNKOQ-UTRMSSBJSA-N 2 0 363.933 3.197 20 0 FGADRP CC1CC[NH+](CC2CCN(C(=O)c3ccc(C[NH+](C)C)cc3)CC2)CC1 ZINC000359955370 210199242 /nfs/dbraw/zinc/19/92/42/210199242.db2.gz HUPHBTDSPQZBAB-UHFFFAOYSA-N 2 0 357.542 3.332 20 0 FGADRP Cc1nccn1CCC[NH2+][C@H](C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000779021879 724381677 /nfs/dbraw/zinc/38/16/77/724381677.db2.gz ZKKXFNJUXXKEDG-WBVHZDCISA-N 2 0 350.507 3.207 20 0 FGADRP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2cccc(NC(=O)c3ccc(OC)cc3)c2)C1 ZINC000048745019 257344110 /nfs/dbraw/zinc/34/41/10/257344110.db2.gz VGYQUOPXNHCRFQ-SFHVURJKSA-N 2 0 367.493 3.379 20 0 FGADRP COc1cccc(NC(=[NH2+])NCc2ccc(OC3CC[NH+](C)CC3)cc2)c1 ZINC000376717640 257498013 /nfs/dbraw/zinc/49/80/13/257498013.db2.gz SGTJYNYEOKIQKW-UHFFFAOYSA-N 2 0 368.481 3.305 20 0 FGADRP O[C@H](C[NH2+]C1CC[NH+](C2CCC2)CC1)COc1c(Cl)cccc1Cl ZINC000579583815 505580899 /nfs/dbraw/zinc/58/08/99/505580899.db2.gz NCGWZNMAQAOUPB-OAHLLOKOSA-N 2 0 373.324 3.340 20 0 FGADRP C[NH2+]CCc1ccccc1C(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000567983129 505590177 /nfs/dbraw/zinc/59/01/77/505590177.db2.gz QXBFAJIOJDZQPR-FXAWDEMLSA-N 2 0 371.550 3.323 20 0 FGADRP CCC[N@H+](CC(=O)Nc1ccccc1C)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000576761695 505588442 /nfs/dbraw/zinc/58/84/42/505588442.db2.gz UBAJCBUNPHFIQO-UHFFFAOYSA-N 2 0 351.494 3.491 20 0 FGADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]C2CCN(Cc3coc(-c4ccccc4)n3)CC2)C1 ZINC000570867310 505599268 /nfs/dbraw/zinc/59/92/68/505599268.db2.gz QURDMYRZGQRZEJ-IEBWSBKVSA-N 2 0 354.498 3.166 20 0 FGADRP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)Nc1ccccc1-c1ncc2n1CCCC2 ZINC000570922523 505612204 /nfs/dbraw/zinc/61/22/04/505612204.db2.gz FFUXCRKBLQOZNS-KRWDZBQOSA-N 2 0 367.497 3.444 20 0 FGADRP C[C@H]([NH2+][C@H]1CCC[C@@H](N2CCCC2=O)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000570943252 505617734 /nfs/dbraw/zinc/61/77/34/505617734.db2.gz RMORGSRXXSQAFD-YSIASYRMSA-N 2 0 373.541 3.211 20 0 FGADRP O=C(NCC[NH2+]C1CCCCCC1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000571029802 505637218 /nfs/dbraw/zinc/63/72/18/505637218.db2.gz SMMPKEVETZYTFD-UHFFFAOYSA-N 2 0 364.578 3.395 20 0 FGADRP [NH3+][C@@H]1CCO[C@H](C2CC[NH+](Cc3cnn(-c4ccc(Cl)cc4)c3)CC2)C1 ZINC000573902456 505647922 /nfs/dbraw/zinc/64/79/22/505647922.db2.gz VXTSTAGVBQPCSI-QUCCMNQESA-N 2 0 374.916 3.244 20 0 FGADRP CC1CC[NH+](CCCC[NH2+]C[C@H](O)COc2ccc(Cl)cc2)CC1 ZINC000579943254 505650768 /nfs/dbraw/zinc/65/07/68/505650768.db2.gz HHVVWGPVQPILQN-SFHVURJKSA-N 2 0 354.922 3.181 20 0 FGADRP CC[C@@H](CO)[N@H+](Cc1cn(-c2cc[nH+]cc2)nc1C)Cc1ccccc1 ZINC000573960730 505661105 /nfs/dbraw/zinc/66/11/05/505661105.db2.gz FWAQJVHNBDUTCU-FQEVSTJZSA-N 2 0 350.466 3.349 20 0 FGADRP CC1(C)C[NH2+]CC[C@@H]1NCC(=O)N[C@@H](c1ccc(F)cc1)C1CCCC1 ZINC000577086701 505661746 /nfs/dbraw/zinc/66/17/46/505661746.db2.gz AVBPKZYFVCNSNR-AZUAARDMSA-N 2 0 361.505 3.151 20 0 FGADRP CC[NH+](CC)CC1CC[NH+](CCC(=O)NCc2ccccc2Cl)CC1 ZINC000047978743 493769172 /nfs/dbraw/zinc/76/91/72/493769172.db2.gz DBIVHAOTXXLMGR-UHFFFAOYSA-N 2 0 365.949 3.400 20 0 FGADRP CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)[C@@](C)([NH3+])c1ccccc1 ZINC000571214107 505680589 /nfs/dbraw/zinc/68/05/89/505680589.db2.gz ULMIPYNVGQTKCC-QFIPXVFZSA-N 2 0 366.509 3.021 20 0 FGADRP CC[C@H](Cc1ccc(C)cc1)[N@H+](C)CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000075885839 493790307 /nfs/dbraw/zinc/79/03/07/493790307.db2.gz HVXIWAGMRALQOJ-OAQYLSRUSA-N 2 0 359.558 3.237 20 0 FGADRP C[NH+](C)[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1)c1ccsc1 ZINC000050029691 493893577 /nfs/dbraw/zinc/89/35/77/493893577.db2.gz PQBLHAJPSWWISD-RBUKOAKNSA-N 2 0 357.523 3.132 20 0 FGADRP CCC[N@H+](C)C[C@H]1CC[NH+](CCC(=O)Nc2cc(Cl)ccc2OC)C1 ZINC000081569789 493919752 /nfs/dbraw/zinc/91/97/52/493919752.db2.gz SNHSTVWISQTIRQ-OAHLLOKOSA-N 2 0 367.921 3.341 20 0 FGADRP C[C@H]1C[NH+](CCCC[NH2+]Cc2csc(Br)c2)C[C@H](C)O1 ZINC000062252870 494007911 /nfs/dbraw/zinc/00/79/11/494007911.db2.gz XWYMZLGBWIWPGO-STQMWFEESA-N 2 0 361.349 3.490 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1cccc2[nH]ccc21 ZINC000077203212 494032903 /nfs/dbraw/zinc/03/29/03/494032903.db2.gz VSQQVUVQWWPQQQ-INIZCTEOSA-N 2 0 357.502 3.048 20 0 FGADRP CC[N@H+](C)Cc1cccc(CNC(=O)NC[C@]2([NH+](C)C)CCC[C@H](C)C2)c1 ZINC000064226375 494107527 /nfs/dbraw/zinc/10/75/27/494107527.db2.gz PVKUMEIEZYLLFW-AVRDEDQJSA-N 2 0 374.573 3.448 20 0 FGADRP C[C@H](NC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1)C(C)(C)C[NH+](C)C ZINC000085423825 494124299 /nfs/dbraw/zinc/12/42/99/494124299.db2.gz GAQOQPAEEJORHU-RBUKOAKNSA-N 2 0 366.594 3.260 20 0 FGADRP C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000574150363 505705454 /nfs/dbraw/zinc/70/54/54/505705454.db2.gz AAZLCFLFIREVSN-FQEVSTJZSA-N 2 0 357.473 3.196 20 0 FGADRP Cc1ccc([C@H](CNC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)[NH+](C)C)cc1 ZINC000065467324 494200358 /nfs/dbraw/zinc/20/03/58/494200358.db2.gz WXAZGVOSOBHVAR-SFHVURJKSA-N 2 0 360.546 3.206 20 0 FGADRP Cc1ccc([C@H](CNC(=O)NCCC[NH+]2CCC(C)CC2)[NH+](C)C)cc1 ZINC000065470013 494201723 /nfs/dbraw/zinc/20/17/23/494201723.db2.gz NUKZPZXJMLLCGB-FQEVSTJZSA-N 2 0 360.546 3.019 20 0 FGADRP C[N@@H+](Cc1ccc(I)cc1)CC1CC[NH+](C)CC1 ZINC000088185739 494211333 /nfs/dbraw/zinc/21/13/33/494211333.db2.gz YLNRTCIVYFUPBT-UHFFFAOYSA-N 2 0 358.267 3.065 20 0 FGADRP Clc1ccc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)c2ncccc12 ZINC000054338536 494221822 /nfs/dbraw/zinc/22/18/22/494221822.db2.gz RFDPYURQHPPTBE-UHFFFAOYSA-N 2 0 359.901 3.432 20 0 FGADRP CC1CC[NH+](CCCCNC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)CC1 ZINC000042911435 494251553 /nfs/dbraw/zinc/25/15/53/494251553.db2.gz YPPCTMWQJYVPHJ-UHFFFAOYSA-N 2 0 352.567 3.107 20 0 FGADRP Cc1c[nH+]ccc1N1CCC(C(=O)NC[C@@H](c2cccs2)[NH+](C)C)CC1 ZINC000072810362 494255661 /nfs/dbraw/zinc/25/56/61/494255661.db2.gz YDGIYTOAICDHLI-SFHVURJKSA-N 2 0 372.538 3.087 20 0 FGADRP CCC[NH+]1CCN(c2ccccc2C[NH2+]CCc2csc(C)n2)CC1 ZINC000088678186 494255710 /nfs/dbraw/zinc/25/57/10/494255710.db2.gz YCWCINASCZGXOU-UHFFFAOYSA-N 2 0 358.555 3.316 20 0 FGADRP CC[N@H+](C)C[C@@H]1CC[NH+](CCC(=O)Nc2ccc(Br)cc2)C1 ZINC000072859344 494268750 /nfs/dbraw/zinc/26/87/50/494268750.db2.gz AIGYMGCDZBUZEN-AWEZNQCLSA-N 2 0 368.319 3.051 20 0 FGADRP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]CCc1nc2c(s1)CCCC2 ZINC000089667674 494340782 /nfs/dbraw/zinc/34/07/82/494340782.db2.gz NKCHPAKIXJIKES-IKGGRYGDSA-N 2 0 363.571 3.043 20 0 FGADRP C[C@@H](C[NH2+][C@H]1CCc2c1cc(Cl)cc2Cl)CN1CC[NH+](C)CC1 ZINC000089701433 494346060 /nfs/dbraw/zinc/34/60/60/494346060.db2.gz JWLMKZLMQFPJGN-UGSOOPFHSA-N 2 0 356.341 3.454 20 0 FGADRP C[C@H]1C[C@H]([NH2+]CCC(=O)Nc2cccc(C(F)(F)F)c2)CN1C1CC1 ZINC000574192002 505715687 /nfs/dbraw/zinc/71/56/87/505715687.db2.gz QMRNLUOWMZVHCG-WFASDCNBSA-N 2 0 355.404 3.249 20 0 FGADRP C[NH+](C)CCC1CCN(C(=O)c2oc3ccccc3c2C[NH+](C)C)CC1 ZINC000073643263 494406405 /nfs/dbraw/zinc/40/64/05/494406405.db2.gz WDOYYYDLIIBYHG-UHFFFAOYSA-N 2 0 357.498 3.298 20 0 FGADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)NCCCC[NH+]2CCCC[C@@H]2C)C1 ZINC000073676892 494411992 /nfs/dbraw/zinc/41/19/92/494411992.db2.gz ZHLNWZSVOMCGPL-RBUKOAKNSA-N 2 0 352.567 3.014 20 0 FGADRP CC(C)CN(CC[NH+](C)C)C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000079224105 494422192 /nfs/dbraw/zinc/42/21/92/494422192.db2.gz JIZRCSYUYAMRIY-KRWDZBQOSA-N 2 0 366.575 3.114 20 0 FGADRP C[C@H](c1ccccc1)[C@H](C)[NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000090038803 494432596 /nfs/dbraw/zinc/43/25/96/494432596.db2.gz IEXHNZFLPYVGMJ-ROUUACIJSA-N 2 0 353.510 3.260 20 0 FGADRP C[C@@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)c1cc(F)ccc1F ZINC000090038739 494432621 /nfs/dbraw/zinc/43/26/21/494432621.db2.gz QGADTCWKMQWPLN-CQSZACIVSA-N 2 0 361.436 3.107 20 0 FGADRP CSC1(C[NH2+][C@@H](C)c2cccc(OCC[NH+](C)C)c2)CCOCC1 ZINC000090112998 494443695 /nfs/dbraw/zinc/44/36/95/494443695.db2.gz MYLQLYSJYHMVRR-INIZCTEOSA-N 2 0 352.544 3.190 20 0 FGADRP CCCC[N@H+](C)CC1CC[NH+]([C@@H](C)C(=O)N2CCc3ccccc3C2)CC1 ZINC000066960854 494446474 /nfs/dbraw/zinc/44/64/74/494446474.db2.gz ZVRCNSRWHFMNID-IBGZPJMESA-N 2 0 371.569 3.404 20 0 FGADRP C[C@@H]([NH2+]CCOc1ncccc1Cl)c1ccc(OCC[NH+](C)C)cc1 ZINC000090408558 494463028 /nfs/dbraw/zinc/46/30/28/494463028.db2.gz ZMOXMMVSGYQHFP-OAHLLOKOSA-N 2 0 363.889 3.405 20 0 FGADRP C[C@@H]([NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1)[C@H](O)Cc1ccccc1 ZINC000090655034 494491028 /nfs/dbraw/zinc/49/10/28/494491028.db2.gz ODKFMSGVBJRGEF-NJNPRVFISA-N 2 0 356.510 3.270 20 0 FGADRP CC(C)[NH+]1CCC(N(C)C(=O)c2oc3ccccc3c2C[NH+](C)C)CC1 ZINC000074194276 494495101 /nfs/dbraw/zinc/49/51/01/494495101.db2.gz ULZOMBAVDYIJTC-UHFFFAOYSA-N 2 0 357.498 3.439 20 0 FGADRP COc1ccc([C@H](CNC(=O)C[N@@H+]2C[C@@H](C)C[C@@H]2C)[NH+]2CCCCC2)cc1 ZINC000568570691 505724192 /nfs/dbraw/zinc/72/41/92/505724192.db2.gz GIMLMSWSMBEQLD-WFXMLNOXSA-N 2 0 373.541 3.069 20 0 FGADRP C[C@@H](CNC(=O)N1CCC[N@H+](Cc2ccccc2)CC1)[NH+]1CCCC[C@H]1C ZINC000046338945 494517501 /nfs/dbraw/zinc/51/75/01/494517501.db2.gz IJSRQQBIDRMDOB-UXHICEINSA-N 2 0 372.557 3.167 20 0 FGADRP CN(C(=O)C[NH+]1CCC(CC[NH+](C)C)CC1)[C@H]1CCCc2ccccc21 ZINC000056522761 494519434 /nfs/dbraw/zinc/51/94/34/494519434.db2.gz QLULZUUPWLKUNM-NRFANRHFSA-N 2 0 357.542 3.186 20 0 FGADRP CCc1ccc([C@H](C)NC(=O)[C@H](C)[NH+]2CCC(CC[NH+](C)C)CC2)cc1 ZINC000056523323 494519784 /nfs/dbraw/zinc/51/97/84/494519784.db2.gz JTUBRJOVBOVZHC-ROUUACIJSA-N 2 0 359.558 3.478 20 0 FGADRP C[C@@H]1C[N@@H+](CCCC[NH2+]Cc2csc(Br)c2)C[C@H](C)O1 ZINC000067452704 494544257 /nfs/dbraw/zinc/54/42/57/494544257.db2.gz XWYMZLGBWIWPGO-BETUJISGSA-N 2 0 361.349 3.490 20 0 FGADRP CC(C)(CC[NH+]1CCCCCC1)NC(=O)Nc1ccc2c(c1)C[NH2+]CCO2 ZINC000580298934 505727027 /nfs/dbraw/zinc/72/70/27/505727027.db2.gz MVZKTPXVEJQKCK-UHFFFAOYSA-N 2 0 374.529 3.335 20 0 FGADRP CC[N@@H+]1CC[C@@H](CNC(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)C1 ZINC000056764043 494558517 /nfs/dbraw/zinc/55/85/17/494558517.db2.gz PRVRELZFHQSHKC-IBGZPJMESA-N 2 0 358.530 3.178 20 0 FGADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H](C)c1nc2ccc(Cl)cc2n1C ZINC000091369046 494588557 /nfs/dbraw/zinc/58/85/57/494588557.db2.gz MOWYDJDRMJAVGU-UKRRQHHQSA-N 2 0 352.910 3.234 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000107834322 494608273 /nfs/dbraw/zinc/60/82/73/494608273.db2.gz JQENCAGHMIWAES-ZVDOUQERSA-N 2 0 374.573 3.347 20 0 FGADRP CC[N@H+](C)Cc1cccc(CNC(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)c1 ZINC000107841527 494610473 /nfs/dbraw/zinc/61/04/73/494610473.db2.gz YBAHIYOMFLCLHW-OAQYLSRUSA-N 2 0 372.557 3.298 20 0 FGADRP CC[NH+](CC)Cc1ccc(CNC(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000115789718 494621101 /nfs/dbraw/zinc/62/11/01/494621101.db2.gz DQPQWOUVBHKWHW-HXUWFJFHSA-N 2 0 360.546 3.012 20 0 FGADRP C[C@H]([NH2+]CCCN1CC[NH+](Cc2ccccc2)CC1)c1cccc(CO)c1 ZINC000121178677 494632846 /nfs/dbraw/zinc/63/28/46/494632846.db2.gz NKOLNEUSCDQBAZ-FQEVSTJZSA-N 2 0 367.537 3.037 20 0 FGADRP CC(C)(C)c1nn(-c2ccccc2)cc1CNCCC[NH+]1CCC(O)CC1 ZINC000131532845 494648967 /nfs/dbraw/zinc/64/89/67/494648967.db2.gz LMUADFJSIJMXIF-UHFFFAOYSA-N 2 0 370.541 3.106 20 0 FGADRP CC(C)(C)NC(=O)C[NH+]1CCC(CNc2cc[nH+]c3ccccc23)CC1 ZINC000080267332 494658683 /nfs/dbraw/zinc/65/86/83/494658683.db2.gz RFZQTFZBFNDXHH-UHFFFAOYSA-N 2 0 354.498 3.273 20 0 FGADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1ccc(Cl)cc1Cl ZINC000057157462 494660049 /nfs/dbraw/zinc/66/00/49/494660049.db2.gz NDMWWSDTAIAGHA-UHFFFAOYSA-N 2 0 360.329 3.339 20 0 FGADRP CC[C@@H]1C[C@H](C)C[N@@H+]1CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000075022648 494675449 /nfs/dbraw/zinc/67/54/49/494675449.db2.gz KLXIDJYUNXKABF-LAUBAEHRSA-N 2 0 357.542 3.196 20 0 FGADRP C[NH+](C)[C@@H](CNC(=O)C1CC[NH+](Cc2ccccc2)CC1)c1ccsc1 ZINC000047305689 494678971 /nfs/dbraw/zinc/67/89/71/494678971.db2.gz VVHMLNHQRHJKPT-FQEVSTJZSA-N 2 0 371.550 3.379 20 0 FGADRP C[C@H](NC(=O)C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1)c1cccc2ccccc21 ZINC000574277448 505736417 /nfs/dbraw/zinc/73/64/17/505736417.db2.gz FFWAXIPHQRXVKE-PXNSSMCTSA-N 2 0 365.521 3.339 20 0 FGADRP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(C[NH2+]Cc3ccc(Cl)cc3)c2)C1 ZINC000108420814 494703205 /nfs/dbraw/zinc/70/32/05/494703205.db2.gz OXJGPKJMUTXXHG-LJQANCHMSA-N 2 0 371.912 3.327 20 0 FGADRP C[NH+](C)Cc1c2ccccc2oc1C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000075200297 494705211 /nfs/dbraw/zinc/70/52/11/494705211.db2.gz KOZKPNBDPKFUFR-QGZVFWFLSA-N 2 0 369.509 3.489 20 0 FGADRP C[N@@H+]1CCC[C@H](C[NH2+]Cc2cn(-c3ccccc3)nc2-c2cccnc2)C1 ZINC000108428101 494706046 /nfs/dbraw/zinc/70/60/46/494706046.db2.gz UEURKQWBGJIYGI-GOSISDBHSA-N 2 0 361.493 3.366 20 0 FGADRP [NH3+][C@@H]1C[C@@H]([NH2+]C2CCN(C(=O)CCc3ccccc3)CC2)c2ccccc21 ZINC000577482088 505736886 /nfs/dbraw/zinc/73/68/86/505736886.db2.gz CQNQSEPPXGLZRO-FGZHOGPDSA-N 2 0 363.505 3.345 20 0 FGADRP C[C@H]1CCN(C(=O)/C=C/c2ccc(-n3ccnc3)cc2)C[C@H]1n1ccnc1 ZINC000126323620 494708478 /nfs/dbraw/zinc/70/84/78/494708478.db2.gz ZKLKQAKMVSZQGY-REWMCMJRSA-N 2 0 361.449 3.192 20 0 FGADRP C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)CC(=O)Nc1ccccc1F ZINC000092821149 494763737 /nfs/dbraw/zinc/76/37/37/494763737.db2.gz FOZVXVUOBVSEHX-UHFFFAOYSA-N 2 0 370.472 3.398 20 0 FGADRP C[C@H]1CCCC[C@H]1NC(=O)C[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821427 494764460 /nfs/dbraw/zinc/76/44/60/494764460.db2.gz XXMNYDXYYOAGFV-GHTZIAJQSA-N 2 0 372.557 3.315 20 0 FGADRP C[NH+](C)CC[C@H](NC(=O)NC[C@H](c1ccco1)[NH+]1CCCC1)C(C)(C)C ZINC000116413019 494777793 /nfs/dbraw/zinc/77/77/93/494777793.db2.gz ULLGACXVLLKCKV-AEFFLSMTSA-N 2 0 364.534 3.082 20 0 FGADRP CC1CC[NH+](CCCCNC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)CC1 ZINC000116422096 494781855 /nfs/dbraw/zinc/78/18/55/494781855.db2.gz UVGNHKXEYHRCEQ-SFHVURJKSA-N 2 0 354.583 3.164 20 0 FGADRP CCCC[NH+]1CCC(NC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2)CC1 ZINC000121535505 494795538 /nfs/dbraw/zinc/79/55/38/494795538.db2.gz GOSPKJWGHRKHSS-NRFANRHFSA-N 2 0 357.542 3.422 20 0 FGADRP CCC[NH+]1CCN(c2ccccc2C[N@@H+]2CCC[C@@H](n3cccn3)C2)CC1 ZINC000092967637 494797774 /nfs/dbraw/zinc/79/77/74/494797774.db2.gz OHZJNMXXRBJIRB-OAQYLSRUSA-N 2 0 367.541 3.252 20 0 FGADRP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2Cc2ccccc2)C1 ZINC000121572848 494807505 /nfs/dbraw/zinc/80/75/05/494807505.db2.gz PXSGGUYLASFOMK-SFTDATJTSA-N 2 0 357.542 3.278 20 0 FGADRP O[C@H](C[NH2+]C1CCN(CCc2ccc(F)cc2)CC1)Cc1ccccc1 ZINC000132074463 494813211 /nfs/dbraw/zinc/81/32/11/494813211.db2.gz VZSWTKBXHIQBNZ-QFIPXVFZSA-N 2 0 356.485 3.026 20 0 FGADRP CCCC[NH+]1CCC(NC(=O)N[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC000132074134 494813234 /nfs/dbraw/zinc/81/32/34/494813234.db2.gz HKLOLYBOOKSHEV-RXVVDRJESA-N 2 0 372.557 3.213 20 0 FGADRP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3ccc(OCCC(C)C)cc3)C2)CC1 ZINC000093133155 494829937 /nfs/dbraw/zinc/82/99/37/494829937.db2.gz RHHMDFYNZMYFSC-NRFANRHFSA-N 2 0 359.558 3.323 20 0 FGADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)Nc1nc2ccccc2s1 ZINC000027351911 494864041 /nfs/dbraw/zinc/86/40/41/494864041.db2.gz QZIGKQYRCLNBIE-UHFFFAOYSA-N 2 0 363.531 3.034 20 0 FGADRP COc1ccc2c(c1)[C@H]([NH2+]Cc1ccc(C[NH+]3CCC(O)CC3)cc1)CC2 ZINC000132652599 494905318 /nfs/dbraw/zinc/90/53/18/494905318.db2.gz PFMOUBZYZHMTFC-HSZRJFAPSA-N 2 0 366.505 3.429 20 0 FGADRP Cc1ccccc1[C@@H](C)[NH+]1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000132713873 494913431 /nfs/dbraw/zinc/91/34/31/494913431.db2.gz SHOQJKXFQXPPNP-GOSISDBHSA-N 2 0 359.558 3.472 20 0 FGADRP CC(C)[NH+]1CCC(NC(=O)C[N@H+](Cc2ccc(F)cc2)C(C)(C)C)CC1 ZINC000132814266 494927931 /nfs/dbraw/zinc/92/79/31/494927931.db2.gz IYLZECUKVQIBSA-UHFFFAOYSA-N 2 0 363.521 3.415 20 0 FGADRP C[C@H](C[NH2+][C@H](Cc1cccc(F)c1)c1cccc(F)c1)N1CC[NH+](C)CC1 ZINC000127343251 494930602 /nfs/dbraw/zinc/93/06/02/494930602.db2.gz NJHPUUDZSCTMJH-VGOFRKELSA-N 2 0 373.491 3.474 20 0 FGADRP COCC[N@H+](C)CCCC1CC[NH+](CC(=O)Nc2ccc(C)cc2)CC1 ZINC000122223457 494942522 /nfs/dbraw/zinc/94/25/22/494942522.db2.gz FBYIRTZLGWPHCX-UHFFFAOYSA-N 2 0 361.530 3.004 20 0 FGADRP CC[N@H+](Cc1ccc(C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)cc1)C(C)C ZINC000127600863 494968283 /nfs/dbraw/zinc/96/82/83/494968283.db2.gz LVCGINOGLXSYFP-FQEVSTJZSA-N 2 0 357.542 3.475 20 0 FGADRP Cc1nc(Cc2ccccc2)sc1[C@@H](C)[NH2+]C[C@@H](C)N1CC[NH+](C)CC1 ZINC000127611380 494970089 /nfs/dbraw/zinc/97/00/89/494970089.db2.gz UCWLSLNKRBNZEV-IAGOWNOFSA-N 2 0 372.582 3.329 20 0 FGADRP CCOc1ccc([C@H](CC)[NH2+]C[C@H](C)N2CC[NH+](C)CC2)cc1OCC ZINC000127757309 494993430 /nfs/dbraw/zinc/99/34/30/494993430.db2.gz GHZGBGARXIETAP-HKUYNNGSSA-N 2 0 363.546 3.161 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)N(C)[C@H]1CC[N@H+](CC)C[C@H]1C)c1ccccc1 ZINC000127945927 495020554 /nfs/dbraw/zinc/02/05/54/495020554.db2.gz VTMDOUDKKPQIHG-GIVPXCGWSA-N 2 0 374.573 3.441 20 0 FGADRP COc1cc(C[NH2+]C[C@H](C)C[NH+]2CCCC2)ccc1OCC(F)(F)F ZINC000101593566 495082925 /nfs/dbraw/zinc/08/29/25/495082925.db2.gz CBNAGQGCUUJOBV-AWEZNQCLSA-N 2 0 360.420 3.458 20 0 FGADRP CC(C)[NH2+]C1CCN(C(=O)NCC2([NH+]3CCCCC3)CCCCC2)CC1 ZINC000111795434 495112401 /nfs/dbraw/zinc/11/24/01/495112401.db2.gz IQLBBTWPMCJLIB-UHFFFAOYSA-N 2 0 364.578 3.347 20 0 FGADRP CCc1ccc([C@@H](CNC(=O)N2CCC([NH2+]C(C)C)CC2)[NH+](C)C)cc1 ZINC000111800816 495112532 /nfs/dbraw/zinc/11/25/32/495112532.db2.gz XXZMTJDEOUVCPL-HXUWFJFHSA-N 2 0 360.546 3.024 20 0 FGADRP CC(C)[NH2+]C1CCN(C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)CC1 ZINC000111801061 495113162 /nfs/dbraw/zinc/11/31/62/495113162.db2.gz RUJNHWSYGGBBTO-QGZVFWFLSA-N 2 0 364.559 3.057 20 0 FGADRP CCC[NH+]1CCC(N(C)C(=O)NC[C@H](C)[N@H+](C)Cc2ccccc2)CC1 ZINC000111875359 495123534 /nfs/dbraw/zinc/12/35/34/495123534.db2.gz QSXDSCCEYNECKO-SFHVURJKSA-N 2 0 360.546 3.023 20 0 FGADRP C[C@H](NC(=O)[C@H](C)[NH+]1CCC(CCC[NH+](C)C)CC1)c1ccc(F)cc1 ZINC000123401569 495127015 /nfs/dbraw/zinc/12/70/15/495127015.db2.gz GMPBOLXWQCHJOS-IRXDYDNUSA-N 2 0 363.521 3.445 20 0 FGADRP C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]Cc1cccc(C[NH+](C)C)c1 ZINC000123713725 495175205 /nfs/dbraw/zinc/17/52/05/495175205.db2.gz MHGOGSVOZBZZGM-GCJKJVERSA-N 2 0 352.526 3.143 20 0 FGADRP COCC1CC[NH+](Cc2ccc(C[NH+]3CCC(COC)CC3)cc2)CC1 ZINC000112353061 495179082 /nfs/dbraw/zinc/17/90/82/495179082.db2.gz HAYNCMSRLLDEOV-UHFFFAOYSA-N 2 0 360.542 3.403 20 0 FGADRP C[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1)c1ccccc1F ZINC000112545892 495204310 /nfs/dbraw/zinc/20/43/10/495204310.db2.gz LJQZWNZCYLIHBX-APWZRJJASA-N 2 0 369.484 3.374 20 0 FGADRP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCCCCC1)C(=O)NCC(F)(F)F ZINC000112708764 495227163 /nfs/dbraw/zinc/22/71/63/495227163.db2.gz HVGUPQLIYJESDR-OAHLLOKOSA-N 2 0 371.447 3.219 20 0 FGADRP C[C@@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)c1ccccc1Br ZINC000124368874 495277250 /nfs/dbraw/zinc/27/72/50/495277250.db2.gz QAIFMAUVURRKTR-OAHLLOKOSA-N 2 0 368.363 3.373 20 0 FGADRP COc1cc([C@@H](C)[NH2+]CC2CC[NH+](CCN(C)C)CC2)ccc1SC ZINC000124491231 495296305 /nfs/dbraw/zinc/29/63/05/495296305.db2.gz FNZGNXLXZDNEJY-MRXNPFEDSA-N 2 0 365.587 3.341 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@H](C)Oc2cccc(F)c2)[C@H](C)C1 ZINC000124511932 495299867 /nfs/dbraw/zinc/29/98/67/495299867.db2.gz LHOJOVFUJMJGCQ-HLIPFELVSA-N 2 0 352.494 3.320 20 0 FGADRP [NH3+][C@H]1CCC[C@@H]([NH2+]CC2(c3ccc(Br)cc3)CCOCC2)C1 ZINC000568768164 505773391 /nfs/dbraw/zinc/77/33/91/505773391.db2.gz IFEIIXBLJKDOCJ-DLBZAZTESA-N 2 0 367.331 3.357 20 0 FGADRP CC1CC[NH+](C2CCC(NC(=O)N[C@H]3CCC[C@@H]([NH+](C)C)C3)CC2)CC1 ZINC000129916453 495313986 /nfs/dbraw/zinc/31/39/86/495313986.db2.gz JOSJNQXPESXWES-ZUPWUQBJSA-N 2 0 364.578 3.202 20 0 FGADRP COc1ccc([C@H](C)[NH2+]CC2(N3CCCCC3)CC[NH+](C)CC2)cc1F ZINC000124658693 495323160 /nfs/dbraw/zinc/32/31/60/495323160.db2.gz KSJAMLKFQIXLKO-KRWDZBQOSA-N 2 0 363.521 3.435 20 0 FGADRP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000105091428 495335914 /nfs/dbraw/zinc/33/59/14/495335914.db2.gz BFZXANSFLVZJDI-NRFANRHFSA-N 2 0 372.557 3.202 20 0 FGADRP CC1CC[NH+](Cc2ccc(CNC(=O)NCC3CC[NH+](C)CC3)cc2)CC1 ZINC000105112877 495337885 /nfs/dbraw/zinc/33/78/85/495337885.db2.gz FLKKXFCEIVIUFE-UHFFFAOYSA-N 2 0 372.557 3.060 20 0 FGADRP COc1cccc(OCC[N@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000130091163 495339527 /nfs/dbraw/zinc/33/95/27/495339527.db2.gz XXGKVVWAZRBWBZ-UHFFFAOYSA-N 2 0 355.482 3.317 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)[C@H](C)C1 ZINC000120310020 495349214 /nfs/dbraw/zinc/34/92/14/495349214.db2.gz CKOJVFYYOMUIFO-NQIIRXRSSA-N 2 0 372.557 3.023 20 0 FGADRP C[C@H](CNC(=O)N1CCC(C[N@H+](C)Cc2ccccc2)CC1)[NH+](C)C1CC1 ZINC000105269538 495350587 /nfs/dbraw/zinc/35/05/87/495350587.db2.gz AURUXWVQFOJJLC-GOSISDBHSA-N 2 0 372.557 3.023 20 0 FGADRP CC1CC[NH+](C[C@H]2CCCN(C(=O)NCC[N@H+](C)C3CCCC3)C2)CC1 ZINC000105294810 495353312 /nfs/dbraw/zinc/35/33/12/495353312.db2.gz JMEDUARPCBRASV-LJQANCHMSA-N 2 0 364.578 3.014 20 0 FGADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)NCCCC[NH+]2CCC(C)CC2)C1 ZINC000124913547 495362831 /nfs/dbraw/zinc/36/28/31/495362831.db2.gz BHVNXRYPYUABPZ-HXUWFJFHSA-N 2 0 366.594 3.166 20 0 FGADRP CC(C)[NH+]1CCC(NC(=O)C[N@H+](C2CC2)[C@H]2CCc3ccccc32)CC1 ZINC000114455609 495376311 /nfs/dbraw/zinc/37/63/11/495376311.db2.gz ODMUOULKMGQCID-NRFANRHFSA-N 2 0 355.526 3.127 20 0 FGADRP C[C@H](C[C@@H](O)c1ccco1)[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000130466089 495396363 /nfs/dbraw/zinc/39/63/63/495396363.db2.gz BEJZOMXUDMTHDY-DYESRHJHSA-N 2 0 371.525 3.412 20 0 FGADRP CC(C)(C)[NH+]1CCC(NC(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000114786231 495424140 /nfs/dbraw/zinc/42/41/40/495424140.db2.gz MXFDFKFFSSPIAP-HXUWFJFHSA-N 2 0 372.557 3.213 20 0 FGADRP Cc1ccc([C@H](CNC(=O)N2CCC([NH2+]C3CCCC3)CC2)[NH+](C)C)cc1 ZINC000130771194 495442283 /nfs/dbraw/zinc/44/22/83/495442283.db2.gz MMEMOKZPNVBRQS-NRFANRHFSA-N 2 0 372.557 3.304 20 0 FGADRP C[N@H+](C[C@H](O)CN[C@H]1CCOc2c(-c3ccccc3)cccc21)C1CC1 ZINC000580543613 505782567 /nfs/dbraw/zinc/78/25/67/505782567.db2.gz LMFBAAUUAIOWHC-NQIIRXRSSA-N 2 0 352.478 3.222 20 0 FGADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N[C@@H]1CC[NH+](C2CCCC2)C1 ZINC000106527167 495462904 /nfs/dbraw/zinc/46/29/04/495462904.db2.gz PGVCWZSBZSBESB-HXUWFJFHSA-N 2 0 372.557 3.343 20 0 FGADRP CC(C)[C@@H](C(=O)NC[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)[NH+](C)C ZINC000125562672 495462892 /nfs/dbraw/zinc/46/28/92/495462892.db2.gz HIJTWXBPTMBIEE-JCGIZDLHSA-N 2 0 369.912 3.174 20 0 FGADRP C[N@@H+]1CCC[C@H]2C[NH+](CCC(=O)Nc3ccccc3C(F)(F)F)CC[C@@H]21 ZINC000139966603 495486427 /nfs/dbraw/zinc/48/64/27/495486427.db2.gz UQUQDSAXMIUREO-YOEHRIQHSA-N 2 0 369.431 3.450 20 0 FGADRP CCc1nocc1CNC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000577752887 505785502 /nfs/dbraw/zinc/78/55/02/505785502.db2.gz BWLREHUMBGNVQD-HXUWFJFHSA-N 2 0 369.509 3.255 20 0 FGADRP Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+]C[C@@H](C)CN1CC[NH+](C)CC1 ZINC000120958684 495492564 /nfs/dbraw/zinc/49/25/64/495492564.db2.gz INQXTNZCUKHFKI-CVEARBPZSA-N 2 0 373.570 3.048 20 0 FGADRP C[C@@H]([NH2+]Cc1ccc(F)c(C[NH+](C)C)c1)c1ccc(S(C)(=O)=O)cc1 ZINC000120978108 495496611 /nfs/dbraw/zinc/49/66/11/495496611.db2.gz ONZNADZJGZIUKZ-CQSZACIVSA-N 2 0 364.486 3.142 20 0 FGADRP CC(C)[C@@H](C(=O)Nc1cccc(NC(=O)C[NH+]2CCCCCC2)c1)[NH+](C)C ZINC000106914206 495512029 /nfs/dbraw/zinc/51/20/29/495512029.db2.gz QFMPHANMROFWQQ-FQEVSTJZSA-N 2 0 374.529 3.026 20 0 FGADRP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3c(Cl)ccc4cccnc43)C2)CC1 ZINC000107368164 495526016 /nfs/dbraw/zinc/52/60/16/495526016.db2.gz LHRJBDTTXSPIAU-KRWDZBQOSA-N 2 0 358.917 3.100 20 0 FGADRP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3cc(-c4ccc(Cl)cc4)no3)C2)CC1 ZINC000107370030 495526076 /nfs/dbraw/zinc/52/60/76/495526076.db2.gz XCNYLYDJIKYVOU-SFHVURJKSA-N 2 0 374.916 3.207 20 0 FGADRP C[C@H]1CCCC[N@@H+]1CCNC(=O)Nc1ccc(OCCC[NH+](C)C)cc1 ZINC000107386442 495526752 /nfs/dbraw/zinc/52/67/52/495526752.db2.gz KSLBKIRLCBTRTQ-KRWDZBQOSA-N 2 0 362.518 3.013 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1CCNC(=O)Nc1ccc(OCCC[NH+](C)C)cc1 ZINC000107386440 495526798 /nfs/dbraw/zinc/52/67/98/495526798.db2.gz KSLBKIRLCBTRTQ-QGZVFWFLSA-N 2 0 362.518 3.013 20 0 FGADRP C[C@H](NC(=O)NCC(C)(C)[NH+]1CCCCC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182362713 495534015 /nfs/dbraw/zinc/53/40/15/495534015.db2.gz NPDFUKVYEODCFC-ROUUACIJSA-N 2 0 364.578 3.203 20 0 FGADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000176191322 495538676 /nfs/dbraw/zinc/53/86/76/495538676.db2.gz IVROYGJGMWHNDO-NRFANRHFSA-N 2 0 372.557 3.167 20 0 FGADRP C[N@H+](CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)C(C1CC1)C1CC1 ZINC000170644282 495543388 /nfs/dbraw/zinc/54/33/88/495543388.db2.gz NAVHNWWYPFAQJR-UHFFFAOYSA-N 2 0 373.566 3.294 20 0 FGADRP CC[NH+]1CCN(CCC[NH2+][C@H]2CCCOc3ccc(Cl)cc32)CC1 ZINC000154225292 495550018 /nfs/dbraw/zinc/55/00/18/495550018.db2.gz MHAFIQFSEITIGH-SFHVURJKSA-N 2 0 351.922 3.171 20 0 FGADRP CC[NH+]1CCN(CCC[NH2+][C@@H](C)c2cc(C)ccc2OC(F)F)CC1 ZINC000154230868 495550993 /nfs/dbraw/zinc/55/09/93/495550993.db2.gz KHNOUYJOJWREEX-INIZCTEOSA-N 2 0 355.473 3.275 20 0 FGADRP CC[C@@H]([NH2+]CCCN1CC[NH+](CC)CC1)c1cc(Cl)ccc1OC ZINC000154239522 495553986 /nfs/dbraw/zinc/55/39/86/495553986.db2.gz NXNZMMSGDLZSET-GOSISDBHSA-N 2 0 353.938 3.417 20 0 FGADRP COc1ccccc1CCC[NH+]1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000182421426 495557612 /nfs/dbraw/zinc/55/76/12/495557612.db2.gz DTUUAHUWTBXSNH-PMACEKPBSA-N 2 0 359.558 3.118 20 0 FGADRP CCCC[NH+]1CCC(NC(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)CC1 ZINC000158658959 495560980 /nfs/dbraw/zinc/56/09/80/495560980.db2.gz VJUIZTREECAMDH-OAQYLSRUSA-N 2 0 372.557 3.387 20 0 FGADRP Cc1ccc(OC(F)F)c([C@@H](C)[NH2+]CCCC[NH+]2CCN(C)CC2)c1 ZINC000154348740 495588475 /nfs/dbraw/zinc/58/84/75/495588475.db2.gz BHYUKUTXPUSROE-MRXNPFEDSA-N 2 0 355.473 3.275 20 0 FGADRP CCN1CC[NH+](CCCC[NH2+][C@@H](C)c2ccc(-n3ccnc3C)cc2)CC1 ZINC000154495337 495634971 /nfs/dbraw/zinc/63/49/71/495634971.db2.gz XSNROTCBVZPCGP-IBGZPJMESA-N 2 0 369.557 3.249 20 0 FGADRP Cc1nn(C)c2sc([C@@H](C)[NH2+]Cc3ccncc3OCC[NH+](C)C)cc12 ZINC000577795322 505794189 /nfs/dbraw/zinc/79/41/89/505794189.db2.gz AQTICPRGLCSYFV-CQSZACIVSA-N 2 0 373.526 3.129 20 0 FGADRP C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)NC[C@H]2CC[NH+](C)C2)c1 ZINC000170913792 495650164 /nfs/dbraw/zinc/65/01/64/495650164.db2.gz JIHWELSDTACSBN-HXUWFJFHSA-N 2 0 351.494 3.000 20 0 FGADRP CC[C@H]1[C@@H](C)CC[N@@H+]1CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000185631694 495653905 /nfs/dbraw/zinc/65/39/05/495653905.db2.gz KEQKMWZYKKRJGZ-LPHOPBHVSA-N 2 0 361.555 3.294 20 0 FGADRP COc1ccc(C)cc1[C@H](C)[NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000159159156 495672922 /nfs/dbraw/zinc/67/29/22/495672922.db2.gz JATZPYJBZNJRAX-KRWDZBQOSA-N 2 0 354.498 3.001 20 0 FGADRP COc1ccc([C@@H](C)[C@@H](C)[NH2+]Cc2ccnc(N3CC[NH+](C)CC3)c2)cc1 ZINC000159176690 495676288 /nfs/dbraw/zinc/67/62/88/495676288.db2.gz MSLNDTKCBQGBFC-ZWKOTPCHSA-N 2 0 368.525 3.124 20 0 FGADRP CCC[NH+]1CCC(N(C)C(=O)NC[C@@H](C(C)C)[NH+]2CCC(C)CC2)CC1 ZINC000171038208 495698864 /nfs/dbraw/zinc/69/88/64/495698864.db2.gz MQNIMOVHGNFSGU-FQEVSTJZSA-N 2 0 366.594 3.259 20 0 FGADRP CC[NH+](CC)Cc1cc([C@H](C)[NH2+][C@@H]2CCc3nc(C)nn3C2)ccc1OC ZINC000182776338 495699027 /nfs/dbraw/zinc/69/90/27/495699027.db2.gz KLQCQOSZMOGIHO-HNAYVOBHSA-N 2 0 371.529 3.103 20 0 FGADRP COc1ccc(OC)c(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)c1 ZINC000182957290 495775158 /nfs/dbraw/zinc/77/51/58/495775158.db2.gz RREPRHRRAWOHMQ-UHFFFAOYSA-N 2 0 362.514 3.028 20 0 FGADRP Cc1cccc(C(C)C)c1NC(=O)[C@H](C)[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000182962692 495777179 /nfs/dbraw/zinc/77/71/79/495777179.db2.gz UTSMCAQSIYLEKD-IBGZPJMESA-N 2 0 374.573 3.015 20 0 FGADRP COc1cccc(C[C@@H]([NH2+][C@H](C)CN2CC[NH+](C)CC2)c2ccccc2)c1 ZINC000154937038 495777858 /nfs/dbraw/zinc/77/78/58/495777858.db2.gz DGWCLZHUVSRTJP-AUSIDOKSSA-N 2 0 367.537 3.205 20 0 FGADRP CC(C)CNC(=O)c1cccc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)c1 ZINC000171234409 495782156 /nfs/dbraw/zinc/78/21/56/495782156.db2.gz CYIORHPDWQIXRF-UHFFFAOYSA-N 2 0 357.542 3.380 20 0 FGADRP O=C(CC[NH2+]C[C@H]1CCCC[N@H+](Cc2ccccc2)C1)Nc1cccnc1 ZINC000574566954 505804138 /nfs/dbraw/zinc/80/41/38/505804138.db2.gz VROYIOJGPAUFRD-HXUWFJFHSA-N 2 0 366.509 3.302 20 0 FGADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](C)C(c1ccccc1)c1ccccc1 ZINC000155047768 495815645 /nfs/dbraw/zinc/81/56/45/495815645.db2.gz GMADOEBROLTMPQ-PMACEKPBSA-N 2 0 351.538 3.433 20 0 FGADRP C[C@H]1C[C@H]([NH2+]CCC(=O)NC2CCCCC2)CCN1Cc1ccccc1 ZINC000580670051 505810445 /nfs/dbraw/zinc/81/04/45/505810445.db2.gz QJDZFQGPJDJYQU-GHTZIAJQSA-N 2 0 357.542 3.468 20 0 FGADRP CCC[N@H+](CCC[NH+](C)C)Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000568933754 505811151 /nfs/dbraw/zinc/81/11/51/505811151.db2.gz RYCPNAWECYBQKE-UHFFFAOYSA-N 3 0 360.590 3.381 20 0 FGADRP O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000171575790 495932555 /nfs/dbraw/zinc/93/25/55/495932555.db2.gz JIEGNIDOWMDFSR-NHCUHLMSSA-N 2 0 370.541 3.093 20 0 FGADRP Cc1ccccc1OC[C@H](O)C[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000174403872 495943756 /nfs/dbraw/zinc/94/37/56/495943756.db2.gz HHSUVVLCBFRJKE-FCHUYYIVSA-N 2 0 368.521 3.189 20 0 FGADRP CCc1nc2c(s1)[C@H]([NH2+]Cc1ccncc1OCC[NH+](C)C)CCC2 ZINC000577895669 505814143 /nfs/dbraw/zinc/81/41/43/505814143.db2.gz SJNQLRPASQRFHK-OAHLLOKOSA-N 2 0 360.527 3.208 20 0 FGADRP CC(C)C[NH+]1CCC(NC(=O)N[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC000177181128 495963701 /nfs/dbraw/zinc/96/37/01/495963701.db2.gz SPFIRWAUIHVUHM-WIYYLYMNSA-N 2 0 372.557 3.069 20 0 FGADRP Cc1ccc([C@H](CNC(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)[NH+]2CCCC2)cc1 ZINC000174453652 495965925 /nfs/dbraw/zinc/96/59/25/495965925.db2.gz ZHWAWQLSNMQIHH-GIVPXCGWSA-N 2 0 372.557 3.256 20 0 FGADRP Cc1cccc(NC[C@H]2CC[N@@H+]([C@@H](C)C(=O)NC3CCC(C)CC3)C2)[nH+]1 ZINC000171649804 495967878 /nfs/dbraw/zinc/96/78/78/495967878.db2.gz FIVFKVBQJAVUDN-PZZKWDHKSA-N 2 0 358.530 3.207 20 0 FGADRP C[C@@H]1C[C@H]([NH2+]CC2CC[NH+](CCO)CC2)c2cccc(Br)c21 ZINC000151857680 495971586 /nfs/dbraw/zinc/97/15/86/495971586.db2.gz MTFSJXCZAUFJEP-DYVFJYSZSA-N 2 0 367.331 3.291 20 0 FGADRP O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000171677958 495986143 /nfs/dbraw/zinc/98/61/43/495986143.db2.gz VUKAFXCWYOTQPY-MOPGFXCFSA-N 2 0 374.529 3.076 20 0 FGADRP CCn1cc([C@H](C)[NH2+]CCc2ccc(OCC[NH+]3CCCC3)cc2)cn1 ZINC000183494102 496008163 /nfs/dbraw/zinc/00/81/63/496008163.db2.gz SEIMEITZFSQXKW-SFHVURJKSA-N 2 0 356.514 3.271 20 0 FGADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H](C)c2ccc(Br)s2)CC1 ZINC000155602514 496009949 /nfs/dbraw/zinc/00/99/49/496009949.db2.gz LLVBCMUWWOJEEF-OLZOCXBDSA-N 2 0 360.365 3.187 20 0 FGADRP C[C@H]([NH2+]CCc1nn(C)c2ccccc12)c1ccc(OCC[NH+](C)C)cc1 ZINC000186491001 496017677 /nfs/dbraw/zinc/01/76/77/496017677.db2.gz NHLQVZQCRODTBI-KRWDZBQOSA-N 2 0 366.509 3.407 20 0 FGADRP C[C@H]1C[C@@H](NC(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)CC[NH2+]1 ZINC000580703974 505818483 /nfs/dbraw/zinc/81/84/83/505818483.db2.gz YEYGBSFAGMXHIH-PXNSSMCTSA-N 2 0 358.530 3.002 20 0 FGADRP CC(C)[NH+]1CCC([NH2+][C@@H](C)CC(=O)Nc2cccc(N3CCCC3)c2)CC1 ZINC000155664319 496028819 /nfs/dbraw/zinc/02/88/19/496028819.db2.gz BDFMRPRMBBZZLE-SFHVURJKSA-N 2 0 372.557 3.466 20 0 FGADRP C[C@@H]([NH2+][C@@H](C)CCN1CC[NH+](C)CC1)c1cc(Br)ccc1F ZINC000186564226 496047573 /nfs/dbraw/zinc/04/75/73/496047573.db2.gz APKVPHAVKQHHLX-UONOGXRCSA-N 2 0 372.326 3.265 20 0 FGADRP COc1ccc(CN2CCC[C@H]3C[N@H+](C)CC[C@H]32)c(Br)c1 ZINC000577945347 505824588 /nfs/dbraw/zinc/82/45/88/505824588.db2.gz WQUGFPRCOMUTNC-WMLDXEAASA-N 2 0 353.304 3.374 20 0 FGADRP CC1CC[NH+](C[C@@H]2CCCN(C(=O)c3cccc(C[NH+](C)C)c3)C2)CC1 ZINC000156058520 496145970 /nfs/dbraw/zinc/14/59/70/496145970.db2.gz UFFGXWBCOIYTKY-FQEVSTJZSA-N 2 0 357.542 3.332 20 0 FGADRP O=C(NCc1cccc(Cn2ccnc2)c1)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000177654517 496147602 /nfs/dbraw/zinc/14/76/02/496147602.db2.gz CQNASSXBJDYXMM-HXUWFJFHSA-N 2 0 366.509 3.202 20 0 FGADRP CN(C)C(=O)[C@H]([NH2+]CC1CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000172084692 496158660 /nfs/dbraw/zinc/15/86/60/496158660.db2.gz OGPPWAWQNREDMM-JOCHJYFZSA-N 2 0 365.521 3.318 20 0 FGADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)NCc2ccccc2C[NH+](C)C(C)C)C1 ZINC000177849343 496221760 /nfs/dbraw/zinc/22/17/60/496221760.db2.gz HQBQSZXQOXJPRY-SFHVURJKSA-N 2 0 360.546 3.010 20 0 FGADRP C[NH+](C)CCNC(=O)c1ccc(C[NH2+][C@@H]2CCCc3ccccc32)cc1 ZINC000180998343 496234652 /nfs/dbraw/zinc/23/46/52/496234652.db2.gz JMPQSSMURWOYJP-OAQYLSRUSA-N 2 0 351.494 3.145 20 0 FGADRP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCN(c3cccc(Br)c3)C2)CC[N@@H+]1C ZINC000152744933 496244012 /nfs/dbraw/zinc/24/40/12/496244012.db2.gz MIWFOPPXOARQRW-VYDXJSESSA-N 2 0 366.347 3.348 20 0 FGADRP O=C(c1cccc(CN2CCCC[C@H]2[C@H]2CCC[NH2+]2)c1)N1CCCCC1 ZINC000580764869 505832896 /nfs/dbraw/zinc/83/28/96/505832896.db2.gz SDJGRQXXZVDVQY-RTWAWAEBSA-N 2 0 355.526 3.419 20 0 FGADRP CN1c2ccc(C[NH2+]Cc3ccc(C[NH+]4CCCC4)cc3)cc2CCC1=O ZINC000187103545 496294022 /nfs/dbraw/zinc/29/40/22/496294022.db2.gz IQBZTBRFWJHUGN-UHFFFAOYSA-N 2 0 363.505 3.481 20 0 FGADRP CC[NH+](CC)CCn1ccc2cc(NC(=O)C[C@@H]3CSCC[NH2+]3)ccc21 ZINC000571878392 505835834 /nfs/dbraw/zinc/83/58/34/505835834.db2.gz WDUJOYLTFDIVCK-GOSISDBHSA-N 2 0 374.554 3.017 20 0 FGADRP CCOC(=O)COc1ccc(CC[NH2+]C2CC[NH+](C(C)(C)C)CC2)cc1 ZINC000181198751 496308636 /nfs/dbraw/zinc/30/86/36/496308636.db2.gz OFYCZPXHQCVNLS-UHFFFAOYSA-N 2 0 362.514 3.024 20 0 FGADRP CC[NH+]1CCN(c2ccc(C[NH2+][C@H](C)c3ccc(F)c(OC)c3)cn2)CC1 ZINC000152965545 496308992 /nfs/dbraw/zinc/30/89/92/496308992.db2.gz VLFOPNOLDCHFFY-MRXNPFEDSA-N 2 0 372.488 3.222 20 0 FGADRP CC[NH+]1CCN(Cc2ccc(C[NH2+][C@H](C)c3cncc(C)c3)cc2)CC1 ZINC000184282373 496318874 /nfs/dbraw/zinc/31/88/74/496318874.db2.gz JRCBGFYTEHRHPB-LJQANCHMSA-N 2 0 352.526 3.378 20 0 FGADRP C[NH+]1CCN(c2cc(C[NH2+][C@H]3CC(C)(C)c4ccccc43)ccn2)CC1 ZINC000178120100 496337362 /nfs/dbraw/zinc/33/73/62/496337362.db2.gz JWPFHJMWOINXFE-FQEVSTJZSA-N 2 0 350.510 3.346 20 0 FGADRP COc1ccc([C@@H](C)[NH2+]C2CC[NH+](CC3CC3)CC2)cc1Cn1cccn1 ZINC000178256821 496389169 /nfs/dbraw/zinc/38/91/69/496389169.db2.gz DCXFHVMGZYELKT-QGZVFWFLSA-N 2 0 368.525 3.465 20 0 FGADRP C[C@H]([NH2+]Cc1ccc2c(c1)CCC(=O)N2C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000187357082 496407775 /nfs/dbraw/zinc/40/77/75/496407775.db2.gz SYSKEFJKEZYGEK-QFBILLFUSA-N 2 0 355.526 3.338 20 0 FGADRP CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCCCC[NH+]1CCCC1 ZINC000175515150 496422147 /nfs/dbraw/zinc/42/21/47/496422147.db2.gz XSKQRJAVUSUKOM-OAQYLSRUSA-N 2 0 372.557 3.026 20 0 FGADRP C[C@H]([NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1cnn(Cc2ccccc2)c1 ZINC000162871216 496426108 /nfs/dbraw/zinc/42/61/08/496426108.db2.gz MPFHZTOMJPLNGG-AQNXPRMDSA-N 2 0 370.541 3.471 20 0 FGADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)c1oc2ccccc2c1C[NH+](C)C ZINC000172812245 496442872 /nfs/dbraw/zinc/44/28/72/496442872.db2.gz MKRKQMAQFQERHI-INIZCTEOSA-N 2 0 357.498 3.489 20 0 FGADRP CC1(C)[C@H]([NH2+]CCCC[NH+]2CCN(c3ccccc3)CC2)[C@@H]2CCCO[C@@H]21 ZINC000181586001 496457612 /nfs/dbraw/zinc/45/76/12/496457612.db2.gz GARLKEJVWVKZJZ-BDTNDASRSA-N 2 0 371.569 3.382 20 0 FGADRP C[C@H](CCNC(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1)[NH+](C)Cc1ccccc1 ZINC000175640617 496477790 /nfs/dbraw/zinc/47/77/90/496477790.db2.gz IIXLNEVKIQAZAU-HBFSDRIKSA-N 2 0 360.546 3.021 20 0 FGADRP C[C@@H]([NH2+][C@@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1)C1CCCC1 ZINC000184654826 496481028 /nfs/dbraw/zinc/48/10/28/496481028.db2.gz SUNVPILBESMJIK-MSOLQXFVSA-N 2 0 357.542 3.324 20 0 FGADRP C[NH+](C)[C@H]1CCC[C@H](NC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000175646331 496481922 /nfs/dbraw/zinc/48/19/22/496481922.db2.gz PPQXYLJSMAMNLW-SFTDATJTSA-N 2 0 372.557 3.345 20 0 FGADRP CCCN(C(=O)[C@H](C)[NH+]1CCC(Cc2ccccc2)CC1)C1CC[NH2+]CC1 ZINC000163308202 496496150 /nfs/dbraw/zinc/49/61/50/496496150.db2.gz XVGHTSXHTKYRJD-IBGZPJMESA-N 2 0 371.569 3.320 20 0 FGADRP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NCC(=O)N1CCCCCC1 ZINC000184744711 496515932 /nfs/dbraw/zinc/51/59/32/496515932.db2.gz OTBPOLCSJFAONY-RTBURBONSA-N 2 0 357.542 3.135 20 0 FGADRP C[C@@H](C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)c1cccc(Cl)c1 ZINC000187650540 496521194 /nfs/dbraw/zinc/52/11/94/496521194.db2.gz JQYAVBIOBVOSDW-INIZCTEOSA-N 2 0 358.917 3.380 20 0 FGADRP CCOc1ccccc1NC(=O)[C@H](c1ccccc1)N1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000574757394 505849126 /nfs/dbraw/zinc/84/91/26/505849126.db2.gz GEKAECCXYZYUMT-MMOPVJDHSA-N 2 0 367.493 3.434 20 0 FGADRP C[N@@H+]1CCC[C@H](CNC(=O)NC[C@@H]([NH3+])c2ccccc2)[C@H]1c1cccs1 ZINC000569085752 505849219 /nfs/dbraw/zinc/84/92/19/505849219.db2.gz UJWREMVDHCDCEB-LMMKCTJWSA-N 2 0 372.538 3.130 20 0 FGADRP C[C@H]([NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1)c1ccc2c(c1)CCC2 ZINC000163507311 496525110 /nfs/dbraw/zinc/52/51/10/496525110.db2.gz KOHYBXFMZZLJAV-KRWDZBQOSA-N 2 0 371.569 3.453 20 0 FGADRP C[C@H](C(=O)NCC1CC[NH+](Cc2ccccc2)CC1)[C@H]([NH3+])c1ccccc1 ZINC000178731424 496553659 /nfs/dbraw/zinc/55/36/59/496553659.db2.gz BRVHRRXXUOVGTL-AVRDEDQJSA-N 2 0 365.521 3.351 20 0 FGADRP C[NH+]1CCN(c2ncccc2C[NH2+]CCCCCOc2ccccc2)CC1 ZINC000187768070 496564460 /nfs/dbraw/zinc/56/44/60/496564460.db2.gz WBSKRYXJUAJKAV-UHFFFAOYSA-N 2 0 368.525 3.172 20 0 FGADRP Cc1ccc([C@H](CNC(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)[NH+](C)C)cc1 ZINC000157907819 496582508 /nfs/dbraw/zinc/58/25/08/496582508.db2.gz GRACMIFPASIQII-RTWAWAEBSA-N 2 0 372.557 3.258 20 0 FGADRP C[C@H](CCNC(=O)NC1CC[NH+](C2CCCCC2)CC1)[NH+]1CCCCC1 ZINC000181890173 496588466 /nfs/dbraw/zinc/58/84/66/496588466.db2.gz AGJJNQFEWMEZFJ-GOSISDBHSA-N 2 0 364.578 3.347 20 0 FGADRP Cc1ccc(CCC[NH+]2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)cc1 ZINC000181899281 496591603 /nfs/dbraw/zinc/59/16/03/496591603.db2.gz PRYISNMLEYEESP-UHFFFAOYSA-N 2 0 373.585 3.344 20 0 FGADRP Ic1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000157968792 496597571 /nfs/dbraw/zinc/59/75/71/496597571.db2.gz PGHBKWKTWZKLEP-LSDHHAIUSA-N 2 0 356.251 3.008 20 0 FGADRP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)NCc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000574783999 505854993 /nfs/dbraw/zinc/85/49/93/505854993.db2.gz JEXPZOFPTFCKIC-FCGDIQPGSA-N 2 0 372.557 3.043 20 0 FGADRP C[C@H]1C[C@@H](C[NH3+])CN1C(=O)NCc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000574784001 505855026 /nfs/dbraw/zinc/85/50/26/505855026.db2.gz JEXPZOFPTFCKIC-RDGPPVDQSA-N 2 0 372.557 3.043 20 0 FGADRP COc1cc(C)c([C@H](C)[NH2+]CC2(SC)CC[NH+](C)CC2)cc1OC ZINC000571963437 505856050 /nfs/dbraw/zinc/85/60/50/505856050.db2.gz HULBLSCHUGAWEF-HNNXBMFYSA-N 2 0 352.544 3.490 20 0 FGADRP C[C@@H]([NH2+]CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)c1ccc(Cl)cc1 ZINC000182012779 496634885 /nfs/dbraw/zinc/63/48/85/496634885.db2.gz CGMYYNMEJXOWIG-DNVCBOLYSA-N 2 0 359.901 3.410 20 0 FGADRP COC[C@@H](Cc1ccccc1)[NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000165316283 496655238 /nfs/dbraw/zinc/65/52/38/496655238.db2.gz SBKKNZRJWOKNDH-XZOQPEGZSA-N 2 0 352.522 3.398 20 0 FGADRP CC(=O)Nc1ccc(CC[NH2+][C@H](C)c2cccc(OCC[NH+](C)C)c2)cc1 ZINC000165614448 496664549 /nfs/dbraw/zinc/66/45/49/496664549.db2.gz MSRKKWNSKBECBP-QGZVFWFLSA-N 2 0 369.509 3.479 20 0 FGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@@H](C)c2cccc(Br)c2)CC1 ZINC000173385336 496668654 /nfs/dbraw/zinc/66/86/54/496668654.db2.gz UBCQHQZEKPXXPJ-HOTGVXAUSA-N 2 0 368.363 3.373 20 0 FGADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H](C)c1cnn(-c2ccc(F)cc2)c1C ZINC000165973322 496674494 /nfs/dbraw/zinc/67/44/94/496674494.db2.gz TWMBCZXPNFWNBF-HNAYVOBHSA-N 2 0 362.493 3.327 20 0 FGADRP COc1ccc2c(c1)[C@@H]([NH2+]CCN1CCC([NH+](C)C)CC1)CCCS2 ZINC000188109997 496687421 /nfs/dbraw/zinc/68/74/21/496687421.db2.gz IKXLJDNBIPIEAI-IBGZPJMESA-N 2 0 363.571 3.238 20 0 FGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H](C[C@@H]2CCOC2)c2ccccc2)CC1 ZINC000166494138 496687906 /nfs/dbraw/zinc/68/79/06/496687906.db2.gz HKHJDGAFIUIMMU-URVUXULASA-N 2 0 359.558 3.018 20 0 FGADRP Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000166711373 496690805 /nfs/dbraw/zinc/69/08/05/496690805.db2.gz UKEALYBNZGNOIL-YQQQUEKLSA-N 2 0 373.566 3.403 20 0 FGADRP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)N3CCC[C@H](C[NH3+])C3)cc2)C1 ZINC000580882051 505860102 /nfs/dbraw/zinc/86/01/02/505860102.db2.gz NZKHGSIFOUUGJD-DBXWQHBBSA-N 2 0 372.557 3.045 20 0 FGADRP CC[C@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)c1ccc(OC)cc1 ZINC000158472850 496709106 /nfs/dbraw/zinc/70/91/06/496709106.db2.gz SFFKAQHSIFWMRT-FQEVSTJZSA-N 2 0 354.498 3.083 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21)c1ccccc1 ZINC000182215202 496709713 /nfs/dbraw/zinc/70/97/13/496709713.db2.gz IZKUSQWKBQIBTK-QHAWAJNXSA-N 2 0 372.557 3.195 20 0 FGADRP CC(C)O[C@@H]1C[C@H]([NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)C1(C)C ZINC000185235141 496713311 /nfs/dbraw/zinc/71/33/11/496713311.db2.gz UYGLZCYLJPXGRS-LEWJYISDSA-N 2 0 360.542 3.325 20 0 FGADRP CC(C)O[C@@H]1C[C@@H]([NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)C1(C)C ZINC000185235174 496713497 /nfs/dbraw/zinc/71/34/97/496713497.db2.gz UYGLZCYLJPXGRS-NHCUHLMSSA-N 2 0 360.542 3.325 20 0 FGADRP CC[C@@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)c1cccc(F)c1 ZINC000188207574 496716176 /nfs/dbraw/zinc/71/61/76/496716176.db2.gz OTXDGKALLHFHSA-HXUWFJFHSA-N 2 0 357.473 3.358 20 0 FGADRP COc1ccc([C@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CC[C@H](O)C2)c(OC)c1 ZINC000182261254 496722510 /nfs/dbraw/zinc/72/25/10/496722510.db2.gz NQPVUBGOHVCBTQ-LPHOPBHVSA-N 2 0 370.493 3.121 20 0 FGADRP CCS(=O)(=O)C[C@@H](C)[NH2+]Cc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000182331489 496729997 /nfs/dbraw/zinc/72/99/97/496729997.db2.gz PIZIFUYJPDQZTO-QGZVFWFLSA-N 2 0 374.550 3.328 20 0 FGADRP C[C@H](C(=O)N1c2ccccc2CC[C@@H]1C)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000246964853 496737206 /nfs/dbraw/zinc/73/72/06/496737206.db2.gz OJKDNOKXHUMHBC-HNJRGHQBSA-N 2 0 355.526 3.159 20 0 FGADRP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@H]1CCCC[NH+]1CC ZINC000247000575 496748458 /nfs/dbraw/zinc/74/84/58/496748458.db2.gz QCSUTTCWOYGYFG-SFTDATJTSA-N 2 0 357.542 3.231 20 0 FGADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)CC(=O)Nc2cccc(Br)c2)C1 ZINC000247049112 496763208 /nfs/dbraw/zinc/76/32/08/496763208.db2.gz NCVOCKZDCSRQAS-KGLIPLIRSA-N 2 0 368.319 3.098 20 0 FGADRP CCC[NH+]1CCC(CNC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000194938179 496766807 /nfs/dbraw/zinc/76/68/07/496766807.db2.gz UYWLVUDDORJDBH-UHFFFAOYSA-N 2 0 372.557 3.204 20 0 FGADRP COc1ccccc1[C@H](O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000268767941 496780159 /nfs/dbraw/zinc/78/01/59/496780159.db2.gz COFXEWPKBHMVES-IOMROCGXSA-N 2 0 354.494 3.229 20 0 FGADRP COc1ccc2c(c1)[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)CCS2 ZINC000191513417 496792904 /nfs/dbraw/zinc/79/29/04/496792904.db2.gz QSNQUGOGMFBSNV-QAPCUYQASA-N 2 0 350.528 3.059 20 0 FGADRP CC[NH+]1CCN(CCC[NH2+][C@H](C)c2ccc(OCC(F)(F)F)cc2)CC1 ZINC000268820745 496796005 /nfs/dbraw/zinc/79/60/05/496796005.db2.gz NUXSVIXOGQJDRO-MRXNPFEDSA-N 2 0 373.463 3.306 20 0 FGADRP CCCN(CC[NH+]1CCCCCC1)C(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000578120549 505866939 /nfs/dbraw/zinc/86/69/39/505866939.db2.gz GLVXOPAFMQMWFE-UHFFFAOYSA-N 2 0 358.530 3.452 20 0 FGADRP c1csc([C@H]([NH2+]CC2CCN(c3cc[nH+]cc3)CC2)c2ncc[nH]2)c1 ZINC000195064930 496810837 /nfs/dbraw/zinc/81/08/37/496810837.db2.gz OHYUAUMBJWCMOH-SFHVURJKSA-N 2 0 353.495 3.462 20 0 FGADRP Cc1ccc(C[C@@H](CO)[NH2+][C@@H](C)c2cccc(OCC[NH+](C)C)c2)cc1 ZINC000191585048 496821490 /nfs/dbraw/zinc/82/14/90/496821490.db2.gz UTGRFLAPZSKNJW-RXVVDRJESA-N 2 0 356.510 3.190 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCC[NH+](Cc3ccccc3)C2)[C@H](C)C1 ZINC000247280391 496822903 /nfs/dbraw/zinc/82/29/03/496822903.db2.gz FWXRBGBGOLUCLN-GIVPXCGWSA-N 2 0 357.542 3.087 20 0 FGADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC[C@@H](CNC(=O)Nc2cccc(F)c2)C1 ZINC000247299573 496828378 /nfs/dbraw/zinc/82/83/78/496828378.db2.gz ORWSHANNEACSCJ-QFBILLFUSA-N 2 0 362.493 3.144 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)CC(=O)N2CCC(Cc3ccccc3)CC2)[C@@H](C)C1 ZINC000247340498 496838993 /nfs/dbraw/zinc/83/89/93/496838993.db2.gz ZUOPPJLKNXOZMF-UGKGYDQZSA-N 2 0 371.569 3.130 20 0 FGADRP CCN(CCC[NH+](C)C)C(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000188584188 496840871 /nfs/dbraw/zinc/84/08/71/496840871.db2.gz XKQZPTOUSOVYRT-UHFFFAOYSA-N 2 0 374.573 3.402 20 0 FGADRP C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]CCCC[NH+](C)C ZINC000269021888 496850427 /nfs/dbraw/zinc/85/04/27/496850427.db2.gz PVCHCQGRBGTXHQ-CYBMUJFWSA-N 2 0 356.308 3.098 20 0 FGADRP C[C@@H]1CCC[C@@](CNC(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)([NH+](C)C)C1 ZINC000247427413 496857198 /nfs/dbraw/zinc/85/71/98/496857198.db2.gz VSIVZWULTLMEGU-SFHLNBCPSA-N 2 0 364.578 3.157 20 0 FGADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H](C)c1ccc(NC(=O)NC(C)C)cc1 ZINC000269076309 496865270 /nfs/dbraw/zinc/86/52/70/496865270.db2.gz NNAJPLIVFMNAIE-LPHOPBHVSA-N 2 0 364.534 3.224 20 0 FGADRP C[C@@H](C(=O)Nc1ccc(N2CCC[N@H+](C)CC2)cc1)[C@H]([NH3+])c1ccccc1 ZINC000269309329 496916459 /nfs/dbraw/zinc/91/64/59/496916459.db2.gz VPHVIFUWSDJPDI-UTKZUKDTSA-N 2 0 366.509 3.103 20 0 FGADRP Cc1nn(C)c2ncc(CN3CCC[C@@H](C[NH+]4CCC(C)CC4)C3)cc12 ZINC000195433094 496920882 /nfs/dbraw/zinc/92/08/82/496920882.db2.gz DDCXJJHKZDYYCJ-SFHVURJKSA-N 2 0 355.530 3.221 20 0 FGADRP CCC1(CNC(=O)N[C@H](C)C[C@@H](C)[NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000572034082 505873877 /nfs/dbraw/zinc/87/38/77/505873877.db2.gz XLTCMKLOBKNWGH-QZTJIDSGSA-N 2 0 360.546 3.104 20 0 FGADRP C[N@@H+]1CCC[C@@H]2C[NH+](C[C@@H](O)COc3cc(Cl)ccc3Cl)CC[C@@H]21 ZINC000248039168 496946431 /nfs/dbraw/zinc/94/64/31/496946431.db2.gz SGXUIDXCGBKIAF-UNEWFSDZSA-N 2 0 373.324 3.149 20 0 FGADRP C[N@@H+]1CCC[C@@H]2C[NH+](C[C@H](O)COc3cc(Cl)ccc3Cl)CC[C@H]21 ZINC000248039166 496946584 /nfs/dbraw/zinc/94/65/84/496946584.db2.gz SGXUIDXCGBKIAF-UKPHBRMFSA-N 2 0 373.324 3.149 20 0 FGADRP C[N@@H+]1CCC[C@@H]2C[NH+](CCOc3ccc(OC(F)(F)F)cc3)CC[C@H]21 ZINC000248150306 496964398 /nfs/dbraw/zinc/96/43/98/496964398.db2.gz QSIKDCPIKALGNN-RHSMWYFYSA-N 2 0 358.404 3.380 20 0 FGADRP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)c1ccc(F)cc1Br ZINC000248155072 496965855 /nfs/dbraw/zinc/96/58/55/496965855.db2.gz RFWSYWOITGHKEE-ZFWWWQNUSA-N 2 0 373.310 3.476 20 0 FGADRP Cc1nccn1-c1ccc([C@H](C)[NH2+]CCCC[N@@H+]2CCC[C@H]2CO)cc1 ZINC000248156827 496965911 /nfs/dbraw/zinc/96/59/11/496965911.db2.gz RMHJQXSILGVMEI-UWJYYQICSA-N 2 0 356.514 3.068 20 0 FGADRP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)c1cc(Br)ccc1F ZINC000248176815 496968816 /nfs/dbraw/zinc/96/88/16/496968816.db2.gz VSXYNODMGHWCIA-HIFRSBDPSA-N 2 0 373.310 3.476 20 0 FGADRP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)c2sccc2C[NH+](C)C)CC1 ZINC000269592500 496975247 /nfs/dbraw/zinc/97/52/47/496975247.db2.gz CSMJXGJQISTUAI-OAHLLOKOSA-N 2 0 372.538 3.160 20 0 FGADRP C[NH+]1CCN(c2cc(C[NH2+][C@@H]3CC[C@@H](Cc4ccccc4)C3)ccn2)CC1 ZINC000189046837 496989990 /nfs/dbraw/zinc/98/99/90/496989990.db2.gz GGVKYSMJOSSYSE-RBBKRZOGSA-N 2 0 364.537 3.334 20 0 FGADRP c1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH2+]CCCOC[C@H]4CCOC4)[C@H]3C2)cc1 ZINC000248403325 496998860 /nfs/dbraw/zinc/99/88/60/496998860.db2.gz OMNAKIGIJQXZPK-LDVJMBRRSA-N 2 0 372.553 3.320 20 0 FGADRP Cc1nc2c(s1)[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1)CCC2 ZINC000248433632 497010652 /nfs/dbraw/zinc/01/06/52/497010652.db2.gz DITZSQBXVNUZME-MSOLQXFVSA-N 2 0 357.523 3.185 20 0 FGADRP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)C1 ZINC000221570008 497019979 /nfs/dbraw/zinc/01/99/79/497019979.db2.gz YMWDPTMIFLSSOI-AQNXPRMDSA-N 2 0 366.594 3.308 20 0 FGADRP Cc1cccn2c(=O)cc(CN3CCC[C@@H](C[N@H+]4CCCC[C@@H]4C)C3)nc12 ZINC000265006901 497030296 /nfs/dbraw/zinc/03/02/96/497030296.db2.gz FCRJVVYWKQIOCN-RBUKOAKNSA-N 2 0 368.525 3.089 20 0 FGADRP C[C@H](c1cccc2ccccc21)[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000574917380 505882773 /nfs/dbraw/zinc/88/27/73/505882773.db2.gz UWDUZZVGBIDOET-FGSXEWAUSA-N 2 0 365.521 3.481 20 0 FGADRP CCN(CCC[NH+](C)C)C(=O)NCc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000189309477 497076897 /nfs/dbraw/zinc/07/68/97/497076897.db2.gz RASALUPRKOZQSN-UHFFFAOYSA-N 2 0 374.573 3.402 20 0 FGADRP Cc1cc([C@@H](C)[NH2+]Cc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)c(C)o1 ZINC000278372974 497092328 /nfs/dbraw/zinc/09/23/28/497092328.db2.gz CJBJKTASECHUMM-UZLBHIALSA-N 2 0 369.509 3.445 20 0 FGADRP Cc1cccc(NC[C@H]2CC[N@@H+]([C@H]3CCc4ccccc4NC3=O)C2)[nH+]1 ZINC000248826707 497111586 /nfs/dbraw/zinc/11/15/86/497111586.db2.gz HEQKBBJHNWOEGI-APWZRJJASA-N 2 0 350.466 3.077 20 0 FGADRP CC(C)[C@@H](CNC(=O)C1(c2ccccc2)CC[NH2+]CC1)[NH+]1CCC(C)CC1 ZINC000236659252 497129047 /nfs/dbraw/zinc/12/90/47/497129047.db2.gz BHIXCXDBTOXQOD-OAQYLSRUSA-N 2 0 371.569 3.181 20 0 FGADRP CCC[NH+]1CCN(c2ccccc2C[NH2+]C[C@]2(C)CCCC[C@H]2O)CC1 ZINC000236802017 497147610 /nfs/dbraw/zinc/14/76/10/497147610.db2.gz LOYGTDUZIJUKSU-YADHBBJMSA-N 2 0 359.558 3.249 20 0 FGADRP O=C(C1CC[NH+](C2CC2)CC1)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000278574469 497156359 /nfs/dbraw/zinc/15/63/59/497156359.db2.gz GRIZLBMOJZCIEE-UHFFFAOYSA-N 2 0 369.553 3.028 20 0 FGADRP C[N@@H+]1CCC[C@@H](CNC(=O)C2CC[NH+](C3CC3)CC2)[C@@H]1c1cccs1 ZINC000192599378 497160268 /nfs/dbraw/zinc/16/02/68/497160268.db2.gz NFVWWGKRWGRTNT-QFBILLFUSA-N 2 0 361.555 3.122 20 0 FGADRP C[N@@H+]1CCC[C@H](CNC(=O)C2CC[NH+](C3CC3)CC2)[C@@H]1c1cccs1 ZINC000192599363 497160728 /nfs/dbraw/zinc/16/07/28/497160728.db2.gz NFVWWGKRWGRTNT-VQIMIIECSA-N 2 0 361.555 3.122 20 0 FGADRP C[C@H](CC[NH+](C)C)NC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000265704780 497164541 /nfs/dbraw/zinc/16/45/41/497164541.db2.gz AKLCGSKPTKZZNO-HBFSDRIKSA-N 2 0 360.546 3.021 20 0 FGADRP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1ccc(C[NH3+])cc1 ZINC000236904381 497166070 /nfs/dbraw/zinc/16/60/70/497166070.db2.gz JXHIBUHKKFOQRX-FQEVSTJZSA-N 2 0 351.494 3.130 20 0 FGADRP CC[C@@H]1CCC[C@H]([NH2+]Cc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)C1 ZINC000236969170 497173437 /nfs/dbraw/zinc/17/34/37/497173437.db2.gz NVEJXEXHNNQQCV-UIFIKXQLSA-N 2 0 357.542 3.442 20 0 FGADRP C[C@@H]1C[C@H](NC(=O)C2CC[NH+](C3CC3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000192684942 497184919 /nfs/dbraw/zinc/18/49/19/497184919.db2.gz IGSTZVAKJPVUEE-YLJYHZDGSA-N 2 0 355.526 3.030 20 0 FGADRP CC(C)OCCN1CCC([NH2+][C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000274885461 497189931 /nfs/dbraw/zinc/18/99/31/497189931.db2.gz IIVNBYUVVROVBC-RBBKRZOGSA-N 2 0 373.585 3.376 20 0 FGADRP Cc1ccccc1[C@@H]1C[N@@H+](CCCN2CC[NH+](C(C)C)CC2)[C@H](C)CO1 ZINC000192746769 497202293 /nfs/dbraw/zinc/20/22/93/497202293.db2.gz JLCLBIGCEYZGPN-IRLDBZIGSA-N 2 0 359.558 3.173 20 0 FGADRP COc1cccc([C@H](CNC(=O)[C@H]2CCCCCC[C@@H]2[NH3+])[NH+]2CCCC2)c1 ZINC000237314199 497219435 /nfs/dbraw/zinc/21/94/35/497219435.db2.gz NDJLQLDEPNYAQH-ACRUOGEOSA-N 2 0 373.541 3.246 20 0 FGADRP C[C@@H](C[NH2+]Cc1csc(-c2ccc3c(c2)OCO3)n1)Cn1ccnc1 ZINC000237436005 497236585 /nfs/dbraw/zinc/23/65/85/497236585.db2.gz HZQQXXUKHGAHJJ-ZDUSSCGKSA-N 2 0 356.451 3.161 20 0 FGADRP C[C@H](CC(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1)[C@@H]1CCC[NH2+]C1 ZINC000237473203 497241926 /nfs/dbraw/zinc/24/19/26/497241926.db2.gz WDAHXUXCTGIKTC-HUUCEWRRSA-N 2 0 367.921 3.245 20 0 FGADRP C[C@@H]1C[C@@H](NC(=O)CC[C@@H]([NH3+])c2ccccc2)C[N@@H+]1Cc1ccccc1 ZINC000237567122 497255925 /nfs/dbraw/zinc/25/59/25/497255925.db2.gz LSSNWVPQLIDJLZ-DUXKGJEZSA-N 2 0 351.494 3.246 20 0 FGADRP C[C@H](CC(=O)N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1)C1CC[NH2+]CC1 ZINC000237577644 497258439 /nfs/dbraw/zinc/25/84/39/497258439.db2.gz RXZGIRIITWWKLC-RTBURBONSA-N 2 0 357.542 3.135 20 0 FGADRP C[C@H]([NH2+]CCCN1CC[N@H+](C)C[C@H]1c1ccccc1)C1CCSCC1 ZINC000250090568 497260154 /nfs/dbraw/zinc/26/01/54/497260154.db2.gz QCXCALBGDMPHQR-RXVVDRJESA-N 2 0 361.599 3.487 20 0 FGADRP C[C@@H](NC(=O)CN1CCC[C@@H](C[NH+]2CCC(C)CC2)C1)c1ccccc1 ZINC000250291475 497264926 /nfs/dbraw/zinc/26/49/26/497264926.db2.gz UAXPWBAITGFSAF-UXHICEINSA-N 2 0 357.542 3.308 20 0 FGADRP C[C@@H]([NH2+]CCCC[NH+]1CCN(Cc2ccccc2)CC1)c1cscn1 ZINC000271120855 497268932 /nfs/dbraw/zinc/26/89/32/497268932.db2.gz JIQYOMFLITZHNO-GOSISDBHSA-N 2 0 358.555 3.392 20 0 FGADRP C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)[C@@H](C[NH3+])c3ccccc3)cc2)C1 ZINC000237673879 497274398 /nfs/dbraw/zinc/27/43/98/497274398.db2.gz BZKSUCXRBQXGBL-AVRDEDQJSA-N 2 0 365.521 3.277 20 0 FGADRP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000252202312 497297933 /nfs/dbraw/zinc/29/79/33/497297933.db2.gz WMWOMEOCHMCJTL-YYIAUSFCSA-N 2 0 366.575 3.016 20 0 FGADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000252442257 497299570 /nfs/dbraw/zinc/29/95/70/497299570.db2.gz RRGJICCCLSBMLC-DLBZAZTESA-N 2 0 364.559 3.059 20 0 FGADRP Cc1nnc(CNC2[C@@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)n1C1CC1 ZINC000189948346 497303050 /nfs/dbraw/zinc/30/30/50/497303050.db2.gz JRXMEKHMVUTYBC-HOTGVXAUSA-N 2 0 353.514 3.168 20 0 FGADRP [NH3+][C@@H]1CCCCCC[C@H]1C(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000237903384 497311515 /nfs/dbraw/zinc/31/15/15/497311515.db2.gz QBAQXYVWNYNKII-RTBURBONSA-N 2 0 361.555 3.472 20 0 FGADRP [NH3+][C@H](CCC(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1ccccc1 ZINC000237925186 497314989 /nfs/dbraw/zinc/31/49/89/497314989.db2.gz PJFXMQSYCUEBRX-RBBKRZOGSA-N 2 0 365.521 3.147 20 0 FGADRP O=C(NCC[NH+]1CCCC1)c1ccc(C[NH2+]C/C=C\c2ccccc2)cc1 ZINC000255841454 497376389 /nfs/dbraw/zinc/37/63/89/497376389.db2.gz HKSLFFUXZKUOOQ-TWGQIWQCSA-N 2 0 363.505 3.315 20 0 FGADRP C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCn3ccnc32)[C@H]1c1cccs1 ZINC000245416719 497394647 /nfs/dbraw/zinc/39/46/47/497394647.db2.gz IPJXNIOSEKRZGD-INMHGKMJSA-N 2 0 358.511 3.021 20 0 FGADRP CCCC[C@H](C(=O)Nc1cc(C)on1)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000245447315 497412393 /nfs/dbraw/zinc/41/23/93/497412393.db2.gz LZHPKHLVKXJNKL-IAGOWNOFSA-N 2 0 350.507 3.287 20 0 FGADRP C[NH+](C)CCc1ccccc1NC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000275727422 497414896 /nfs/dbraw/zinc/41/48/96/497414896.db2.gz WTINMVYRFDIFGB-FQEVSTJZSA-N 2 0 354.498 3.215 20 0 FGADRP Ic1ccc([C@H]2CCCN2C[C@@H]2CCC[NH2+]C2)cc1 ZINC000261658860 497428434 /nfs/dbraw/zinc/42/84/34/497428434.db2.gz BNMYMGGWXNMEIJ-CZUORRHYSA-N 2 0 370.278 3.428 20 0 FGADRP COc1ccc([C@H](C)C[NH+]2CCC(N3CC[NH+](C(C)C)CC3)CC2)cc1 ZINC000271741479 497435177 /nfs/dbraw/zinc/43/51/77/497435177.db2.gz AAXPLDIBBUBTST-LJQANCHMSA-N 2 0 359.558 3.289 20 0 FGADRP C[C@]1(C[NH3+])CCN(CC(=O)N[C@@H](c2ccccc2)c2ccc(Cl)cc2)C1 ZINC000261776256 497448399 /nfs/dbraw/zinc/44/83/99/497448399.db2.gz MRGCNVVZUJKXTQ-LEWJYISDSA-N 2 0 371.912 3.216 20 0 FGADRP Cc1ccccc1C[NH+]1CCC(NC(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000245584428 497465512 /nfs/dbraw/zinc/46/55/12/497465512.db2.gz ACWXGTISJHWHDG-GHTZIAJQSA-N 2 0 372.557 3.084 20 0 FGADRP CC[N@H+](Cc1ccc(C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)cc1)C1CC1 ZINC000261892046 497469526 /nfs/dbraw/zinc/46/95/26/497469526.db2.gz ZUQNWUWTYMFRPS-FCHUYYIVSA-N 2 0 363.505 3.238 20 0 FGADRP COc1cc(CN2CC[C@]3(CC[NH2+]C3)C2)ccc1OCc1ccccc1 ZINC000261951875 497481125 /nfs/dbraw/zinc/48/11/25/497481125.db2.gz GATVQSHPQWITRP-QFIPXVFZSA-N 2 0 352.478 3.460 20 0 FGADRP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC000245710040 497512594 /nfs/dbraw/zinc/51/25/94/497512594.db2.gz NAJSUWRUAOHWRS-BJESRGMDSA-N 3 0 371.569 3.009 20 0 FGADRP CC(C)(C)c1ccc(C[N@@H+]2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)s1 ZINC000262236942 497527911 /nfs/dbraw/zinc/52/79/11/497527911.db2.gz OQOPDPURJWHSPL-WBVHZDCISA-N 2 0 363.571 3.126 20 0 FGADRP CC[NH+](CC)CCOc1ccc(NC(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])cc1 ZINC000262254013 497530501 /nfs/dbraw/zinc/53/05/01/497530501.db2.gz IVNDERABFIHZFD-JOIKAWEESA-N 2 0 373.541 3.499 20 0 FGADRP C[C@H]1C[C@@H](C(=O)NCCCC[NH+]2CCC(Cc3ccccc3)CC2)CC[NH2+]1 ZINC000262430588 497554552 /nfs/dbraw/zinc/55/45/52/497554552.db2.gz RPORFGZNJMBNSZ-UGKGYDQZSA-N 2 0 371.569 3.226 20 0 FGADRP C[C@H](CCNC(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21)[NH+](C)Cc1ccccc1 ZINC000245897929 497563255 /nfs/dbraw/zinc/56/32/55/497563255.db2.gz DGKWFCDUAWADFE-HMXCVIKNSA-N 2 0 372.557 3.023 20 0 FGADRP C[C@H](NC(=O)c1sccc1C[NH+](C)C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272243543 497574574 /nfs/dbraw/zinc/57/45/74/497574574.db2.gz HAVOOSKRZRCXMG-WMZOPIPTSA-N 2 0 371.550 3.450 20 0 FGADRP Cc1ccc([C@@H]([NH3+])C(=O)NC2CC[NH+]([C@H](C)c3ccccc3)CC2)cc1 ZINC000262603767 497581477 /nfs/dbraw/zinc/58/14/77/497581477.db2.gz AMSQZKDKTOTPTI-DYESRHJHSA-N 2 0 351.494 3.337 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)c2ccc3c(c2)CC[NH2+]CC3)C1 ZINC000276728335 497637894 /nfs/dbraw/zinc/63/78/94/497637894.db2.gz YGCRMEGOEXLQDK-MOPGFXCFSA-N 2 0 369.553 3.101 20 0 FGADRP COc1cc(C[NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)ccc1C ZINC000194354563 497642025 /nfs/dbraw/zinc/64/20/25/497642025.db2.gz VVPLNMBAPIEKRX-UHFFFAOYSA-N 2 0 354.494 3.250 20 0 FGADRP C[N@H+](CCCN1CC[NH+](C)CC1)Cc1cc(Cl)ccc1OC(F)F ZINC000272502331 497645066 /nfs/dbraw/zinc/64/50/66/497645066.db2.gz NZRSYWVCEZCOCE-UHFFFAOYSA-N 2 0 361.864 3.011 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)[C@](C)([NH3+])c1ccccc1)c1cccc(OC)c1 ZINC000262932348 497658812 /nfs/dbraw/zinc/65/88/12/497658812.db2.gz SWEBMJSJKZXPRN-IFMALSPDSA-N 2 0 369.509 3.068 20 0 FGADRP Cc1cc(NC(=O)[C@H](C)N2CCC(n3c(C)nc4ccccc43)CC2)on1 ZINC000280173189 497671574 /nfs/dbraw/zinc/67/15/74/497671574.db2.gz GHEKTTDXNNHTSL-AWEZNQCLSA-N 2 0 367.453 3.305 20 0 FGADRP Cc1ccc([C@H](CNC(=O)NC2CC[NH+](C(C)(C)C)CC2)[NH+](C)C)cc1 ZINC000194469450 497677382 /nfs/dbraw/zinc/67/73/82/497677382.db2.gz HYOFNECNSGFGKW-IBGZPJMESA-N 2 0 360.546 3.160 20 0 FGADRP COCCOc1ccc([C@@H](C)[NH2+]CC2(C)CC[NH+](C)CC2)cc1OC ZINC000272616127 497679529 /nfs/dbraw/zinc/67/95/29/497679529.db2.gz XDJRRMVLLNPHNN-MRXNPFEDSA-N 2 0 350.503 3.103 20 0 FGADRP CC(C)c1ccccc1OC[C@H](O)C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246276158 497680726 /nfs/dbraw/zinc/68/07/26/497680726.db2.gz APNBHYNMCDBESV-DWLFOUALSA-N 2 0 372.553 3.498 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N(C)[C@H]1CC[N@H+](CC)C[C@H]1C)CC(C)C ZINC000246344425 497702372 /nfs/dbraw/zinc/70/23/72/497702372.db2.gz FBRQQOLRBNCJPM-QYZOEREBSA-N 2 0 354.583 3.115 20 0 FGADRP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)CC3 ZINC000272707472 497708642 /nfs/dbraw/zinc/70/86/42/497708642.db2.gz ZYOLZRDFKINOQB-VSDWSMLSSA-N 2 0 367.537 3.301 20 0 FGADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@H](CO)Cc1ccc(OC(F)(F)F)cc1 ZINC000246381534 497714577 /nfs/dbraw/zinc/71/45/77/497714577.db2.gz KCDWMWOONJMWMO-DEICHXMPSA-N 2 0 374.447 3.055 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NCC[C@@H](C)[NH+](C)Cc2ccccc2)[C@@H](C)C1 ZINC000246398000 497720921 /nfs/dbraw/zinc/72/09/21/497720921.db2.gz JTRWKLKAUBCCDC-ZVDOUQERSA-N 2 0 374.573 3.269 20 0 FGADRP CCC[N@H+](CC)C[C@@H](C)NC(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000569401066 505925227 /nfs/dbraw/zinc/92/52/27/505925227.db2.gz MVBOSYSOBVTBSL-LJQANCHMSA-N 2 0 366.594 3.404 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NCC(C)(C)[NH+]2C[C@H](C)C[C@H](C)C2)[C@@H](C)C1 ZINC000246430632 497732519 /nfs/dbraw/zinc/73/25/19/497732519.db2.gz MOUPDWGPUZYMPJ-RDGPPVDQSA-N 2 0 366.594 3.115 20 0 FGADRP CC[NH+](CC)Cc1ccc(CNC(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000246482353 497748364 /nfs/dbraw/zinc/74/83/64/497748364.db2.gz VULMOYJEQOFEDH-FXAWDEMLSA-N 2 0 360.546 3.153 20 0 FGADRP C[C@H](NC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1)C1=CC[N@H+](C)CC1 ZINC000272867536 497748532 /nfs/dbraw/zinc/74/85/32/497748532.db2.gz WBFPMQYMKPWRMJ-SFHVURJKSA-N 2 0 370.541 3.122 20 0 FGADRP Cc1ccccc1[C@@H](C)NC(=O)[C@@H](C)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000194735997 497753572 /nfs/dbraw/zinc/75/35/72/497753572.db2.gz COBMHMVNSSUADJ-RTBURBONSA-N 2 0 357.542 3.369 20 0 FGADRP Cc1ccccc1[C@H](C)NC(=O)[C@H](C)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000194736036 497753725 /nfs/dbraw/zinc/75/37/25/497753725.db2.gz COBMHMVNSSUADJ-OALUTQOASA-N 2 0 357.542 3.369 20 0 FGADRP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCCC[NH+]2Cc2ccccc2)C1 ZINC000246526402 497763507 /nfs/dbraw/zinc/76/35/07/497763507.db2.gz UNELHFBQSFPROL-LEWJYISDSA-N 2 0 357.542 3.135 20 0 FGADRP C[C@@H](NC(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1)C1=CC[N@H+](C)CC1 ZINC000272995201 497780782 /nfs/dbraw/zinc/78/07/82/497780782.db2.gz QPHYZUMAMRAXIV-GOSISDBHSA-N 2 0 370.541 3.487 20 0 FGADRP C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)c3csc(CC[NH3+])n3)cc2)C1 ZINC000194827574 497783970 /nfs/dbraw/zinc/78/39/70/497783970.db2.gz KWTBHRLCVVAPLQ-AWEZNQCLSA-N 2 0 358.511 3.129 20 0 FGADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000246846168 497815919 /nfs/dbraw/zinc/81/59/19/497815919.db2.gz BVWMKNFTBAUHQP-DEFDSWJHSA-N 2 0 351.535 3.235 20 0 FGADRP C[C@H](O)C[C@H](C[NH2+][C@@H]1CCN(Cc2ccccn2)C[C@@H]1C)c1ccccc1 ZINC000246878066 497818271 /nfs/dbraw/zinc/81/82/71/497818271.db2.gz DHAKSWXETVLBAN-SQXWHWBNSA-N 2 0 367.537 3.436 20 0 FGADRP C[NH+](CCCCCO)Cc1cc(C[N@H+](C)CCCCCO)ccc1F ZINC000295972645 497874827 /nfs/dbraw/zinc/87/48/27/497874827.db2.gz KIPQMGRNNJPZPR-UHFFFAOYSA-N 2 0 354.510 3.015 20 0 FGADRP CC[C@H](NC(=O)N(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1)c1ccc(C)cc1 ZINC000364279994 497877188 /nfs/dbraw/zinc/87/71/88/497877188.db2.gz GVNZFLMTTHUNRF-RTWAWAEBSA-N 2 0 372.557 3.256 20 0 FGADRP CCC[NH+]1CCN(c2ccccc2C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)CC1 ZINC000572364198 505950630 /nfs/dbraw/zinc/95/06/30/505950630.db2.gz XSBRNJCXXUGVJZ-SFTDATJTSA-N 3 0 370.585 3.040 20 0 FGADRP C[C@@H](NC(=O)Nc1ccc2c(c1F)CC[NH2+]C2)[C@H](c1ccccc1)[NH+](C)C ZINC000578502956 505956160 /nfs/dbraw/zinc/95/61/60/505956160.db2.gz WXSFYDBQZISGSI-JLTOFOAXSA-N 2 0 370.472 3.284 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)[C@@H]([NH3+])c1ccccc1C)c1cccc(OC)c1 ZINC000581307921 505957630 /nfs/dbraw/zinc/95/76/30/505957630.db2.gz LLLPRAYEWCNPFB-SFTDATJTSA-N 2 0 369.509 3.203 20 0 FGADRP CN(c1ccccc1C[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)C1CC[NH+](C)CC1 ZINC000581310916 505958134 /nfs/dbraw/zinc/95/81/34/505958134.db2.gz TVDFOEGUAHPMTA-WOJBJXKFSA-N 3 0 370.585 3.039 20 0 FGADRP c1ccc(N2CC[NH+](CCCC[NH2+][C@H]3CCOC4(CCC4)C3)CC2)cc1 ZINC000296298651 497989784 /nfs/dbraw/zinc/98/97/84/497989784.db2.gz FZLXNJYUPMXFAC-FQEVSTJZSA-N 2 0 357.542 3.280 20 0 FGADRP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](Cc2cc(Cl)ccc2OCC2CC2)CC1 ZINC000569577168 505969521 /nfs/dbraw/zinc/96/95/21/505969521.db2.gz IFGFCXVFQZQETL-QUCCMNQESA-N 2 0 364.917 3.457 20 0 FGADRP C[C@H](OC[C@H](O)C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C)c1ccc(Cl)cc1 ZINC000285410754 498075387 /nfs/dbraw/zinc/07/53/87/498075387.db2.gz FVIILVIDBNXKGS-QVPXITGZSA-N 2 0 366.933 3.336 20 0 FGADRP C[C@H]1C[C@@H]([NH2+]Cc2cccc(C(=O)NCC[NH+](C)C)c2)c2ccccc21 ZINC000289247755 498075939 /nfs/dbraw/zinc/07/59/39/498075939.db2.gz NFXKASMPJOTDRS-HRAATJIYSA-N 2 0 351.494 3.316 20 0 FGADRP COc1ccc([C@@H](C[NH2+]CCCc2cnccc2C)N(C)C)cc1OC ZINC000289309773 498099895 /nfs/dbraw/zinc/09/98/95/498099895.db2.gz RWPJZUSBSKFPEH-LJQANCHMSA-N 2 0 357.498 3.232 20 0 FGADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@H]2CCCN(C(=O)Oc3ccccc3)CC2)C1 ZINC000289342331 498113032 /nfs/dbraw/zinc/11/30/32/498113032.db2.gz XCBIKTZSPBJKNV-MOPGFXCFSA-N 2 0 359.514 3.361 20 0 FGADRP CCOc1cc2[nH+]ccc(N3CC[C@@H]([NH+]4CC=CC4)C3)c2cc1OCC ZINC000301471472 498124655 /nfs/dbraw/zinc/12/46/55/498124655.db2.gz TWDLUYOJMBLEGA-MRXNPFEDSA-N 2 0 353.466 3.483 20 0 FGADRP CC(C)(C)[C@@H]1NC(=O)CC[C@H]1[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000285557890 498128218 /nfs/dbraw/zinc/12/82/18/498128218.db2.gz FQCMUCGZAREDGD-AIYVTKCESA-N 2 0 369.553 3.465 20 0 FGADRP Clc1cccc(N2CCOCC2)c1C[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000292746365 498130670 /nfs/dbraw/zinc/13/06/70/498130670.db2.gz ATWUTRUTSPJNQE-UHFFFAOYSA-N 2 0 363.933 3.141 20 0 FGADRP COc1ccc2ccccc2c1C[NH+]1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC000289466245 498158350 /nfs/dbraw/zinc/15/83/50/498158350.db2.gz OYRHQRZMBAXKGT-UHFFFAOYSA-N 2 0 367.537 3.308 20 0 FGADRP CCOC(=O)c1csc(CN[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)n1 ZINC000292912839 498194785 /nfs/dbraw/zinc/19/47/85/498194785.db2.gz KXYXWWBXANUGEH-DOTOQJQBSA-N 2 0 373.522 3.320 20 0 FGADRP CCOC(=O)c1csc(CN2CCC(c3ncc4n3CCCC4)CC2)n1 ZINC000293006105 498232147 /nfs/dbraw/zinc/23/21/47/498232147.db2.gz TYYDQAMGWZOOMC-UHFFFAOYSA-N 2 0 374.510 3.232 20 0 FGADRP C[C@H]([NH2+]Cc1ccncc1OCC[NH+](C)C)c1ccc(OC(F)F)cc1 ZINC000569736296 506004260 /nfs/dbraw/zinc/00/42/60/506004260.db2.gz UOPNYFUEOGCJRV-AWEZNQCLSA-N 2 0 365.424 3.474 20 0 FGADRP COc1cc(OC)cc(N2CC[C@H](C[NH2+][C@H]3C[C@H]([NH3+])c4ccccc43)C2)c1 ZINC000572593347 506006656 /nfs/dbraw/zinc/00/66/56/506006656.db2.gz KORUVMHLMSALKX-YDFBLROQSA-N 2 0 367.493 3.265 20 0 FGADRP OC1CC[NH+](Cc2ccccc2C[NH2+][C@@H]2CCCC[C@H]2[C@H]2CCOC2)CC1 ZINC000365063798 498278703 /nfs/dbraw/zinc/27/87/03/498278703.db2.gz BDTQTRCMCLDIAT-ACIOBRDBSA-N 2 0 372.553 3.328 20 0 FGADRP CC[NH+](CC)CCOc1ccc(C(=O)N2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cc1 ZINC000572606551 506009872 /nfs/dbraw/zinc/00/98/72/506009872.db2.gz XBHVQXXEIFWSSY-TZIWHRDSSA-N 2 0 373.541 3.011 20 0 FGADRP CC1(C)C[NH2+][C@H]1C1CCN(C(=O)c2cccc(C[NH+]3CCCC3)c2)CC1 ZINC000581547703 506012732 /nfs/dbraw/zinc/01/27/32/506012732.db2.gz RDTREGIWOFWPKS-FQEVSTJZSA-N 2 0 355.526 3.133 20 0 FGADRP CC(C)C[NH+]1CCC([NH2+]C[C@@H](O)CO[C@@H]2CCCc3ccccc32)CC1 ZINC000578759143 506014799 /nfs/dbraw/zinc/01/47/99/506014799.db2.gz RPGYYXMDQCTZTP-IFMALSPDSA-N 2 0 360.542 3.152 20 0 FGADRP Cc1cc([C@H]2CCCN2C[C@@H](O)C[N@@H+](C)C2CC2)ccc1Br ZINC000575840399 506015149 /nfs/dbraw/zinc/01/51/49/506015149.db2.gz REJSHFPJZMSKLO-FUHWJXTLSA-N 2 0 367.331 3.350 20 0 FGADRP CC[NH+]1CCC(CCNC(=O)c2ccccc2CC2CC[NH2+]CC2)CC1 ZINC000569813908 506022262 /nfs/dbraw/zinc/02/22/62/506022262.db2.gz OYLRCSYBSVBEFP-UHFFFAOYSA-N 2 0 357.542 3.081 20 0 FGADRP c1nn(-c2ccccc2)cc1CC[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000581601909 506025484 /nfs/dbraw/zinc/02/54/84/506025484.db2.gz WZXSNVVTEPZVHU-JTHBVZDNSA-N 2 0 374.488 3.260 20 0 FGADRP CC(=O)Nc1nc(CN2CCC[C@H](c3ncc4n3CCCC4)C2)cs1 ZINC000282148570 498400717 /nfs/dbraw/zinc/40/07/17/498400717.db2.gz SNKVXRHYWXGLPU-AWEZNQCLSA-N 2 0 359.499 3.014 20 0 FGADRP C(CCC[N@@H+]1CC[C@H]([C@@H]2CCOC2)C1)CC[NH+]1CC[C@H]([C@@H]2CCOC2)C1 ZINC000361748322 498424754 /nfs/dbraw/zinc/42/47/54/498424754.db2.gz BIIPOELOALPYDF-FNAHDJPLSA-N 2 0 364.574 3.264 20 0 FGADRP C[NH+](C)CCOc1ccc(NC(=O)CC[N@H+](C)C2CCCCC2)c(F)c1 ZINC000578845896 506035179 /nfs/dbraw/zinc/03/51/79/506035179.db2.gz MERORSLAFPQPQX-UHFFFAOYSA-N 2 0 365.493 3.359 20 0 FGADRP c1[nH]c2nccnc2c1C[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000294001153 498557580 /nfs/dbraw/zinc/55/75/80/498557580.db2.gz STPQBXNGGWPAQF-UHFFFAOYSA-N 2 0 361.493 3.446 20 0 FGADRP CC(C)c1cc(NCC2CC[NH+](C)CC2)nc(NCC2CC[NH+](C)CC2)[nH+]1 ZINC000302817610 498585749 /nfs/dbraw/zinc/58/57/49/498585749.db2.gz ITXBKCPMKWZHMR-UHFFFAOYSA-N 3 0 374.577 3.107 20 0 FGADRP CN(CCC[N@H+](C)Cc1ccco1)C(=O)Nc1ccccc1CC[NH+](C)C ZINC000287122245 498637335 /nfs/dbraw/zinc/63/73/35/498637335.db2.gz KQMILBCGELYJDO-UHFFFAOYSA-N 2 0 372.513 3.370 20 0 FGADRP C[C@@H]1CCC[C@@](CNC(=O)NCC(C)(C)[NH+]2CCCCC2)([NH+](C)C)C1 ZINC000303059344 498645096 /nfs/dbraw/zinc/64/50/96/498645096.db2.gz ZZSVTKYABDBXOL-YLJYHZDGSA-N 2 0 352.567 3.061 20 0 FGADRP C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000298046137 498648302 /nfs/dbraw/zinc/64/83/02/498648302.db2.gz IBFPQUSDUUMSQR-QFBILLFUSA-N 2 0 374.529 3.286 20 0 FGADRP C[C@H](CNC(=O)NCc1cccc(C[NH+]2CCC(C)CC2)c1)[N@H+](C)C1CC1 ZINC000303267931 498659746 /nfs/dbraw/zinc/65/97/46/498659746.db2.gz IZGHFCHAFZHGQS-GOSISDBHSA-N 2 0 372.557 3.200 20 0 FGADRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCC[C@H]2C[NH+]2CCCCC2)C1 ZINC000303277907 498661132 /nfs/dbraw/zinc/66/11/32/498661132.db2.gz SXFIKRNKGYQEOF-MOPGFXCFSA-N 2 0 364.578 3.157 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)C1 ZINC000303346393 498668050 /nfs/dbraw/zinc/66/80/50/498668050.db2.gz ZPWKLOVCMHUCFO-HSALFYBXSA-N 2 0 364.578 3.014 20 0 FGADRP COc1ccc([C@H](Cc2ccccc2)[NH2+]CC2(O)CC[NH+](C)CC2)cc1 ZINC000290831432 498693717 /nfs/dbraw/zinc/69/37/17/498693717.db2.gz XTZNKWGBSRSUTM-NRFANRHFSA-N 2 0 354.494 3.025 20 0 FGADRP O=C(c1ccc2c[nH+]cn2c1)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000294444637 498694825 /nfs/dbraw/zinc/69/48/25/498694825.db2.gz HCMOSTLCSVHIBH-UHFFFAOYSA-N 2 0 374.488 3.463 20 0 FGADRP CC[C@H](C(=O)N[C@@H](C[NH+](C)C)c1ccc(F)cc1)[N@H+](C)Cc1ccccc1 ZINC000572895572 506077942 /nfs/dbraw/zinc/07/79/42/506077942.db2.gz DAFGBPXUGSBTBR-LEWJYISDSA-N 2 0 371.500 3.455 20 0 FGADRP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)NC[C@@H](c2ccc(Cl)cc2)[NH+](C)C)C1 ZINC000581869607 506078847 /nfs/dbraw/zinc/07/88/47/506078847.db2.gz PAVPXIWHDKWYKV-ROUUACIJSA-N 2 0 366.937 3.067 20 0 FGADRP C[C@@H](C[NH2+]C1CCN(c2cc[nH+]cc2)CC1)N1CCc2ccccc2C1 ZINC000298366414 498747156 /nfs/dbraw/zinc/74/71/56/498747156.db2.gz KITRFMZZWKYUOJ-SFHVURJKSA-N 2 0 350.510 3.087 20 0 FGADRP NC1(C[NH2+][C@@H]2CCCC[C@H]2[C@H]2CCOC2)CC[NH+](Cc2ccccc2)CC1 ZINC000570077659 506085242 /nfs/dbraw/zinc/08/52/42/506085242.db2.gz HMRDLQXLDPASAW-FDFHNCONSA-N 2 0 371.569 3.165 20 0 FGADRP COc1cccc([C@@H](C[NH2+]C2CCN(CCC(F)(F)F)CC2)N(C)C)c1 ZINC000291023674 498761427 /nfs/dbraw/zinc/76/14/27/498761427.db2.gz CXFYSVRWVJAXEX-GOSISDBHSA-N 2 0 373.463 3.304 20 0 FGADRP Cc1cccc(C)c1OC[C@H](O)C[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000312690821 498761581 /nfs/dbraw/zinc/76/15/81/498761581.db2.gz QJWWSXHKXVYCDD-FCHUYYIVSA-N 2 0 368.521 3.155 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)NC[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000572944662 506089694 /nfs/dbraw/zinc/08/96/94/506089694.db2.gz WMSNJWWSIXQXLF-HOJAQTOUSA-N 2 0 364.578 3.190 20 0 FGADRP C[C@@H](c1nc(C2CC2)no1)N1CCC2(C[C@@H]2N(C)Cc2nccs2)CC1 ZINC000283120417 498787367 /nfs/dbraw/zinc/78/73/67/498787367.db2.gz MYCWECSPHIEVOX-ZFWWWQNUSA-N 2 0 373.526 3.451 20 0 FGADRP COC(=O)CCC[NH+]1CCC(N[C@@H](c2ccco2)c2ccccc2)CC1 ZINC000366147820 498798304 /nfs/dbraw/zinc/79/83/04/498798304.db2.gz UIAAMUDPQOCCRN-OAQYLSRUSA-N 2 0 356.466 3.376 20 0 FGADRP C[C@@H](C[NH2+]C[C@H](O)COc1ccc(Cl)c(Cl)c1)C[NH+]1CCCC1 ZINC000320864001 498810482 /nfs/dbraw/zinc/81/04/82/498810482.db2.gz JIBYRTVROFQFJC-KBPBESRZSA-N 2 0 361.313 3.055 20 0 FGADRP CC[C@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)[C@H](O)c1c(F)cccc1F ZINC000298578580 498819448 /nfs/dbraw/zinc/81/94/48/498819448.db2.gz XPHZMNJECPCIDA-ICSRJNTNSA-N 2 0 361.436 3.430 20 0 FGADRP Clc1cc(CC[NH2+]C2CCN(c3cc[nH+]cc3)CC2)cc2c1OCCO2 ZINC000298591731 498823019 /nfs/dbraw/zinc/82/30/19/498823019.db2.gz YLTMKUIEYYTXNY-UHFFFAOYSA-N 2 0 373.884 3.307 20 0 FGADRP Fc1ccc(N2CC[C@@H](C[NH2+]C3CCN(c4cc[nH+]cc4)CC3)C2)cc1 ZINC000298596380 498824495 /nfs/dbraw/zinc/82/44/95/498824495.db2.gz YVJCRRNYIVMLLS-KRWDZBQOSA-N 2 0 354.473 3.306 20 0 FGADRP COc1ccc2c(c1)[C@H]([NH2+]CCC1CC[NH+](C3CCN(C)CC3)CC1)CC2 ZINC000366211614 498826598 /nfs/dbraw/zinc/82/65/98/498826598.db2.gz SPZNEWPSSSYXAX-HSZRJFAPSA-N 2 0 371.569 3.468 20 0 FGADRP C[N@H+](CCCOCCc1ccccc1)C1CC[NH+](C2CCOCC2)CC1 ZINC000363453252 498828501 /nfs/dbraw/zinc/82/85/01/498828501.db2.gz UCUYMEDPKMISSS-UHFFFAOYSA-N 2 0 360.542 3.211 20 0 FGADRP O=C(NCc1ccc(C[NH+]2CCCC2)cc1)NC1CC([NH+]2CCCCC2)C1 ZINC000366225258 498831119 /nfs/dbraw/zinc/83/11/19/498831119.db2.gz QZMZSDABDSGLDU-UHFFFAOYSA-N 2 0 370.541 3.099 20 0 FGADRP Cc1nc2ccccc2n1CCC[NH2+][C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@H]1C ZINC000366285725 498858716 /nfs/dbraw/zinc/85/87/16/498858716.db2.gz PQESONPEDMKKRN-YZGWKJHDSA-N 2 0 370.541 3.214 20 0 FGADRP CC[C@@H]([NH2+]Cc1c(C)nn(C)c1N1CCC[N@H+](C)CC1)c1ccc(F)cc1 ZINC000366294354 498861699 /nfs/dbraw/zinc/86/16/99/498861699.db2.gz CKTBQNYLUZPVMM-HXUWFJFHSA-N 2 0 373.520 3.250 20 0 FGADRP CC(C)C[C@@H](CNC(=O)CCc1cncn1C)[NH2+][C@@H](C)c1ccccc1 ZINC000283382949 498868643 /nfs/dbraw/zinc/86/86/43/498868643.db2.gz MVSABDOIEQPSAK-HKUYNNGSSA-N 2 0 356.514 3.234 20 0 FGADRP C[C@H]1C[C@@H](C(=O)NC[C@H]2CCC[N@H+](C)[C@H]2c2cccc(Cl)c2)CC[NH2+]1 ZINC000366416039 498914991 /nfs/dbraw/zinc/91/49/91/498914991.db2.gz DJUOSHBIGBGPAP-RMRDIRSESA-N 2 0 363.933 3.227 20 0 FGADRP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000333162299 498919861 /nfs/dbraw/zinc/91/98/61/498919861.db2.gz GQGGVHTYCHFYMM-XCDJFROHSA-N 2 0 370.541 3.093 20 0 FGADRP c1sc(CC[NH2+]C2CCN(c3cc[nH+]cc3)CC2)nc1-c1ccccn1 ZINC000291412224 498931183 /nfs/dbraw/zinc/93/11/83/498931183.db2.gz GQRPAARGGNIIJZ-UHFFFAOYSA-N 2 0 365.506 3.401 20 0 FGADRP CN1CC[NH+](CCCC[NH2+]Cc2ccc(Br)c(Cl)c2)CC1 ZINC000582038837 506118748 /nfs/dbraw/zinc/11/87/48/506118748.db2.gz UYRLZANGIWBSDE-UHFFFAOYSA-N 2 0 374.754 3.220 20 0 FGADRP COc1ccc(-c2nc(C[NH+]3CCC4(CC[NH2+]C4)CC3)cs2)cc1OC ZINC000570212094 506116435 /nfs/dbraw/zinc/11/64/35/506116435.db2.gz RPCFJJAHTTYLPH-UHFFFAOYSA-N 2 0 373.522 3.403 20 0 FGADRP CC[NH2+]CCC[NH2+][C@H](C)c1ccc(F)c(I)c1 ZINC000576267941 506117423 /nfs/dbraw/zinc/11/74/23/506117423.db2.gz OUXICZRPWRRMOH-SNVBAGLBSA-N 2 0 350.219 3.081 20 0 FGADRP c1cnc(N2CC[NH+](CCCC[NH2+]CCCC3CCCCC3)CC2)nc1 ZINC000573139704 506127059 /nfs/dbraw/zinc/12/70/59/506127059.db2.gz HCCWBOIFRFZKDU-UHFFFAOYSA-N 2 0 359.562 3.329 20 0 FGADRP COc1nccc(C[NH2+]C[C@@H]2CCN(C)[C@@H]2c2ccc(Cl)c(F)c2)n1 ZINC000295520552 499041078 /nfs/dbraw/zinc/04/10/78/499041078.db2.gz VQKBRNDGGMSOCW-SUMWQHHRSA-N 2 0 364.852 3.060 20 0 FGADRP Cn1cc([C@H]2[C@H](C[NH2+]Cc3ccc(F)c(Cl)c3)CCCN2C)cn1 ZINC000366738525 499054606 /nfs/dbraw/zinc/05/46/06/499054606.db2.gz LHOGFHLZGISJII-KBXCAEBGSA-N 2 0 350.869 3.385 20 0 FGADRP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]C[C@@](C)(O)c1cccc(Cl)c1 ZINC000364046345 499098328 /nfs/dbraw/zinc/09/83/28/499098328.db2.gz BZKMIGMDQHFWQF-XFWGSAIBSA-N 2 0 366.933 3.027 20 0 FGADRP CC(C)(C)OC(=O)N1CC[C@@](C)(C[NH2+]C2CC([NH+]3CCCCC3)C2)C1 ZINC000366954287 499121515 /nfs/dbraw/zinc/12/15/15/499121515.db2.gz PDBPYVUHKAGYDO-UHYCVJNDSA-N 2 0 351.535 3.240 20 0 FGADRP Cc1ccc(C[N@@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)c(C)n1 ZINC000369955055 499157094 /nfs/dbraw/zinc/15/70/94/499157094.db2.gz NVDMOSLBVAOUBD-UHFFFAOYSA-N 2 0 358.574 3.327 20 0 FGADRP C[N@H+](C[C@H]1CC12CC[NH+](CCC(=O)Nc1ccccc1F)CC2)C1CC1 ZINC000367308913 499178200 /nfs/dbraw/zinc/17/82/00/499178200.db2.gz GBYSNHHVPFAYIA-MRXNPFEDSA-N 2 0 359.489 3.351 20 0 FGADRP COc1ccc(C[NH+]2CCC(C[NH2+][C@@H]3CCC34CCOCC4)CC2)cc1 ZINC000570296426 506136221 /nfs/dbraw/zinc/13/62/21/506136221.db2.gz LLHNSZVPBDUIEH-OAQYLSRUSA-N 2 0 358.526 3.456 20 0 FGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]C2CC(c3cc(F)cc(F)c3)C2)CC1 ZINC000367373206 499190700 /nfs/dbraw/zinc/19/07/00/499190700.db2.gz WUGPRLHHXMMUER-FVWXCPNNSA-N 2 0 351.485 3.074 20 0 FGADRP COc1c(C)cc([C@H](C)[NH2+][C@@H]2CCN(C3CC[NH+](C)CC3)C2)cc1Cl ZINC000367625930 499219200 /nfs/dbraw/zinc/21/92/00/499219200.db2.gz ZSPOKIGMYBOHES-DOTOQJQBSA-N 2 0 365.949 3.476 20 0 FGADRP C[C@@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccc(OC(F)F)cc1 ZINC000370636889 499238208 /nfs/dbraw/zinc/23/82/08/499238208.db2.gz SLDDWLSHAIDRHL-GDBMZVCRSA-N 2 0 353.457 3.107 20 0 FGADRP C[C@H]([NH2+]Cc1ccnc(-n2ccnc2)c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000370645948 499239305 /nfs/dbraw/zinc/23/93/05/499239305.db2.gz NCEXAZCQYNPABC-KRWDZBQOSA-N 2 0 365.481 3.059 20 0 FGADRP C[C@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]CCc1cn2c(n1)CCCC2 ZINC000370669908 499242381 /nfs/dbraw/zinc/24/23/81/499242381.db2.gz SMEUEGXOUSSFTP-GHTZIAJQSA-N 2 0 352.526 3.262 20 0 FGADRP CCOc1ccc([C@@H]2CCCN2C(=O)CN2CCC[C@H]([NH+](C)C)CC2)cc1 ZINC000370696444 499245180 /nfs/dbraw/zinc/24/51/80/499245180.db2.gz GIIWYIBCELDHSG-FPOVZHCZSA-N 2 0 373.541 3.165 20 0 FGADRP CC(C)COc1ccc(CN2CC[C@H]([NH+]3CCN(C)CC3)[C@H](C)C2)cc1 ZINC000370709518 499246648 /nfs/dbraw/zinc/24/66/48/499246648.db2.gz RMRDSXFOKMTICU-KNQAVFIVSA-N 2 0 359.558 3.179 20 0 FGADRP CC(C)n1c2ccccc2nc1CN1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000368051479 499259393 /nfs/dbraw/zinc/25/93/93/499259393.db2.gz MXSKQCXEIBUJFE-SFHVURJKSA-N 2 0 369.557 3.218 20 0 FGADRP C[C@@H](NC(=O)c1ccccc1C[NH+](C)C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000368155536 499270010 /nfs/dbraw/zinc/27/00/10/499270010.db2.gz OTDVJDBLBQJYOG-QUCCMNQESA-N 2 0 365.521 3.389 20 0 FGADRP C(CC[NH+]1CCC([C@@H]2CCOC2)CC1)C[NH+]1CCC([C@H]2CCOC2)CC1 ZINC000368263500 499279609 /nfs/dbraw/zinc/27/96/09/499279609.db2.gz KXZNHDHWFZPMNA-SZPZYZBQSA-N 2 0 364.574 3.264 20 0 FGADRP C[NH+]1CCC2(CC1)C[C@@H]([NH2+]CCCOC[C@H]1CCOC1)c1ccccc1O2 ZINC000368363064 499288803 /nfs/dbraw/zinc/28/88/03/499288803.db2.gz QZSURHYWBFMROE-UYAOXDASSA-N 2 0 374.525 3.007 20 0 FGADRP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1NCc1coc(-c2ccc(F)cc2)n1 ZINC000368416545 499293693 /nfs/dbraw/zinc/29/36/93/499293693.db2.gz LCVJIPYZYFALIL-XPGWFJOJSA-N 2 0 373.472 3.460 20 0 FGADRP c1ccc(C[N@@H+]2CCCO[C@@H](CN3CCC[C@H]([NH+]4CCCCC4)C3)C2)cc1 ZINC000368505032 499302769 /nfs/dbraw/zinc/30/27/69/499302769.db2.gz TYIPWITXDJVLLQ-XZOQPEGZSA-N 2 0 371.569 3.228 20 0 FGADRP C[C@@H]1C[NH+](Cc2ccc(C[NH2+][C@H]3CCC34CCOCC4)cc2)C[C@@H](C)O1 ZINC000368528986 499304951 /nfs/dbraw/zinc/30/49/51/499304951.db2.gz WTNSEMVMPQCLNM-OPYAIIAOSA-N 2 0 358.526 3.345 20 0 FGADRP CC(C)[NH+]1CCN([C@H]2CC[N@H+](Cc3cccc(-c4ccccn4)c3)C2)CC1 ZINC000371330566 499311281 /nfs/dbraw/zinc/31/12/81/499311281.db2.gz BZWZBSGTAHKFPY-QFIPXVFZSA-N 2 0 364.537 3.349 20 0 FGADRP CC(C)[NH+]1CCN(C2CC[NH+](Cc3cc(F)cc4cccnc43)CC2)CC1 ZINC000371349207 499313730 /nfs/dbraw/zinc/31/37/30/499313730.db2.gz GJZFBGBSRGCFEL-UHFFFAOYSA-N 2 0 370.516 3.364 20 0 FGADRP Cc1cc(N2CC[C@@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)c2cc(F)ccc2[nH+]1 ZINC000371352047 499314151 /nfs/dbraw/zinc/31/41/51/499314151.db2.gz WQAPMGJXSBVTIF-MGPUTAFESA-N 2 0 356.489 3.145 20 0 FGADRP c1[nH]nc(-c2ccccc2)c1C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000371415251 499323553 /nfs/dbraw/zinc/32/35/53/499323553.db2.gz APVOQKZVXUNYSE-UHFFFAOYSA-N 2 0 354.498 3.011 20 0 FGADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCc1cnc(C2CC2)nc1 ZINC000371460002 499329843 /nfs/dbraw/zinc/32/98/43/499329843.db2.gz WRQSMLPFOZRALZ-LAUBAEHRSA-N 2 0 350.510 3.397 20 0 FGADRP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+][C@H]2CCN(C3CC[NH+](C)CC3)C2)C1 ZINC000369062948 499361831 /nfs/dbraw/zinc/36/18/31/499361831.db2.gz IOEUBRDIMIEQAO-AABGKKOBSA-N 2 0 356.558 3.174 20 0 FGADRP CC[N@H+](C)[C@H](C(=O)N(C)C1CCN(c2cc[nH+]cc2)CC1)c1ccccc1 ZINC000369150387 499371095 /nfs/dbraw/zinc/37/10/95/499371095.db2.gz LFVUHMIWZMRNMF-NRFANRHFSA-N 2 0 366.509 3.202 20 0 FGADRP CCC[NH+]1CCN(C2CC[NH+](CCSc3ccc(F)cc3)CC2)CC1 ZINC000369149990 499371113 /nfs/dbraw/zinc/37/11/13/499371113.db2.gz SLUXPXNAMWULGB-UHFFFAOYSA-N 2 0 365.562 3.410 20 0 FGADRP Cc1cnc([C@@H]2CCC[N@@H+](CCCN3CC[NH+](C(C)C)CC3)C2)s1 ZINC000369186441 499375715 /nfs/dbraw/zinc/37/57/15/499375715.db2.gz CUKLEANEYZXUTG-GOSISDBHSA-N 2 0 350.576 3.047 20 0 FGADRP CCn1c(CN[C@@H]2CC[N@H+](C[C@H]3CCCO3)C[C@H]2C)nc2cc(F)ccc21 ZINC000372352933 499424008 /nfs/dbraw/zinc/42/40/08/499424008.db2.gz ASEGJHZGIJPJIY-KBAYOESNSA-N 2 0 374.504 3.174 20 0 FGADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](C[C@@H]2CCOc3ccccc32)CC1 ZINC000372410062 499431470 /nfs/dbraw/zinc/43/14/70/499431470.db2.gz OKDMWWVSXOYRIX-ZCNNSNEGSA-N 2 0 357.542 3.043 20 0 FGADRP Cc1ccc([C@H]([NH3+])C(=O)NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000369711510 499438367 /nfs/dbraw/zinc/43/83/67/499438367.db2.gz CSYNLJAEDXOSAY-FPOVZHCZSA-N 2 0 351.494 3.023 20 0 FGADRP C[C@H]1C[N@H+](CCCSCc2ccccc2)CCN1C1CC[NH+](C)CC1 ZINC000373527788 499475141 /nfs/dbraw/zinc/47/51/41/499475141.db2.gz FIQIYEZNUOOXBY-IBGZPJMESA-N 2 0 361.599 3.410 20 0 FGADRP Cc1nc([C@@H](C)[NH2+]CCC2CC[NH+](C3CCN(C)CC3)CC2)cs1 ZINC000378195378 499489179 /nfs/dbraw/zinc/48/91/79/499489179.db2.gz AWVIXJZUQWYIRH-OAHLLOKOSA-N 3 0 350.576 3.298 20 0 FGADRP C[NH+]1CCN(C[C@@H]2CCC[N@H+](CC3CCC(C(F)(F)F)CC3)C2)CC1 ZINC000375214402 499496108 /nfs/dbraw/zinc/49/61/08/499496108.db2.gz GIAFAWFVYUMAHR-ADKAHSJRSA-N 2 0 361.496 3.315 20 0 FGADRP CC[N@H+](CCC1CCN(C(=O)N[C@H]2CC[NH+](C)[C@H](C)C2)CC1)CC(C)C ZINC000573231147 506149139 /nfs/dbraw/zinc/14/91/39/506149139.db2.gz UOOWDJOSPRSPMO-QUCCMNQESA-N 2 0 366.594 3.259 20 0 FGADRP COC(=O)c1ccc(CN[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)o1 ZINC000388981161 499551832 /nfs/dbraw/zinc/55/18/32/499551832.db2.gz QTLAEINZRDBOKS-NZSAHSFTSA-N 2 0 354.450 3.066 20 0 FGADRP COc1ccc([C@@H](C)[NH2+]CCN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000390884618 499556339 /nfs/dbraw/zinc/55/63/39/499556339.db2.gz VJYIKXQUXNEGNV-LJQANCHMSA-N 2 0 353.510 3.164 20 0 FGADRP CC(C)[NH+]1CCC([NH2+]C[C@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000395746751 499563002 /nfs/dbraw/zinc/56/30/02/499563002.db2.gz XGUZLYLKUAAJMR-AWEZNQCLSA-N 2 0 361.313 3.196 20 0 FGADRP CC[C@@H]([NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1)c1ccc(F)cn1 ZINC000397495093 499564239 /nfs/dbraw/zinc/56/42/39/499564239.db2.gz DBPGJSMEAUBKQB-LJQANCHMSA-N 2 0 357.473 3.289 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000398005777 499565808 /nfs/dbraw/zinc/56/58/08/499565808.db2.gz QFCUZXPTFDEJTG-BVYCBKJFSA-N 2 0 365.521 3.493 20 0 FGADRP CC(C)[NH+]1CCN([C@H]2CC[N@H+](Cc3ccc(C(F)(F)F)cc3)C2)CC1 ZINC000375907756 499567584 /nfs/dbraw/zinc/56/75/84/499567584.db2.gz UFZMQCVLSIGWRA-SFHVURJKSA-N 2 0 355.448 3.306 20 0 FGADRP c1cc(C[NH+]2CCC(NC[C@@H]3CCC[N@@H+]3C3CCCCC3)CC2)ccn1 ZINC000376004585 499575369 /nfs/dbraw/zinc/57/53/69/499575369.db2.gz STDIMZNFGNIJJB-QFIPXVFZSA-N 2 0 356.558 3.433 20 0 FGADRP C[NH+](C)[C@H](CNC(=O)c1ccc2c(c1)CC[NH2+]CC2)c1ccc(Cl)cc1 ZINC000582179143 506152645 /nfs/dbraw/zinc/15/26/45/506152645.db2.gz LSPWUOMYQDDCTK-HXUWFJFHSA-N 2 0 371.912 3.061 20 0 FGADRP OC[C@H](C[NH2+]C1CCN(Cc2ccccc2Cl)CC1)c1cccnc1 ZINC000376799600 499634888 /nfs/dbraw/zinc/63/48/88/499634888.db2.gz KDHYOCNNILDXJN-SFHVURJKSA-N 2 0 359.901 3.065 20 0 FGADRP Cc1nccn1-c1ccc([C@H](C)[NH2+]C[C@@H]2CC3(CCC3)C(=O)O2)cc1F ZINC000377014914 499654167 /nfs/dbraw/zinc/65/41/67/499654167.db2.gz VCASURZMFIBDSG-BBRMVZONSA-N 2 0 357.429 3.456 20 0 FGADRP COC(=O)[C@@H]1CC12CC[NH+](Cc1ccc(C[NH+]3CCCCC3)cc1)CC2 ZINC000411285729 499721578 /nfs/dbraw/zinc/72/15/78/499721578.db2.gz VQCWGTUNDLTNKP-FQEVSTJZSA-N 2 0 356.510 3.448 20 0 FGADRP C([C@H]1CCCCO1)[NH+]1CCCC2(CCC[N@@H+](C[C@H]3CCCCO3)C2)C1 ZINC000377724768 499725360 /nfs/dbraw/zinc/72/53/60/499725360.db2.gz MWBOZUDCESZMAU-OSBQEZSISA-N 2 0 350.547 3.303 20 0 FGADRP COC(=O)C[C@@H]1CSCC[N@@H+]1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411341737 499727690 /nfs/dbraw/zinc/72/76/90/499727690.db2.gz DCYKPLTYTIRMNF-LJQANCHMSA-N 2 0 362.539 3.153 20 0 FGADRP CC(C)[C@H]1[NH2+]CC[C@H]1C(=O)Nc1ccc(N2CCC(C[NH+](C)C)CC2)cc1 ZINC000377817206 499738191 /nfs/dbraw/zinc/73/81/91/499738191.db2.gz QGPFYNLKSRGXBY-NHCUHLMSSA-N 2 0 372.557 3.037 20 0 FGADRP CC[NH+]1CCC(NC(=O)C[NH2+][C@H](c2ccc(Cl)cc2F)C(C)C)CC1 ZINC000411513223 499749913 /nfs/dbraw/zinc/74/99/13/499749913.db2.gz UJNRAFZNMAPMBB-IBGZPJMESA-N 2 0 369.912 3.366 20 0 FGADRP CN1CCO[C@H]([C@H]([NH2+]CC[C@H]2CCC[N@H+](C)C2)c2ccc(Cl)cc2)C1 ZINC000414199367 499768186 /nfs/dbraw/zinc/76/81/86/499768186.db2.gz WUPXERYPSHHHDV-LSTHTHJFSA-N 2 0 365.949 3.033 20 0 FGADRP CC1(C)C[N@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C[C@]2(CCOC2)O1 ZINC000411659411 499774192 /nfs/dbraw/zinc/77/41/92/499774192.db2.gz GSOQKKOFQTZEAU-QFIPXVFZSA-N 2 0 358.526 3.442 20 0 FGADRP COc1ccc([C@@H](C)[NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)cc1O ZINC000414308439 499776166 /nfs/dbraw/zinc/77/61/66/499776166.db2.gz QEJCCRGQKSZLLV-QGZVFWFLSA-N 2 0 370.493 3.079 20 0 FGADRP Cc1ccc([C@H](C)[NH2+]Cc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)o1 ZINC000414324679 499778048 /nfs/dbraw/zinc/77/80/48/499778048.db2.gz KXGNPUMQFRNUHO-INIZCTEOSA-N 2 0 355.482 3.136 20 0 FGADRP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1)c1ccccc1F ZINC000414326334 499778058 /nfs/dbraw/zinc/77/80/58/499778058.db2.gz NMFZOZASDIOACQ-INIZCTEOSA-N 2 0 369.484 3.374 20 0 FGADRP C[C@@H]1CC[C@@H](C)[C@@H]([NH2+]Cc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)C1 ZINC000414342338 499779373 /nfs/dbraw/zinc/77/93/73/499779373.db2.gz PEJUZXZCSAHVGK-LZJOCLMNSA-N 2 0 357.542 3.298 20 0 FGADRP C[C@@H]1CC[C@H]([NH2+]Cc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)[C@@H](C)C1 ZINC000414344973 499779570 /nfs/dbraw/zinc/77/95/70/499779570.db2.gz SCFKKKRAVOXDJI-WWMYMODYSA-N 2 0 357.542 3.298 20 0 FGADRP CC1CC[NH+](C2CCC([NH2+]Cc3ccc(S(C)(=O)=O)s3)CC2)CC1 ZINC000414365550 499781614 /nfs/dbraw/zinc/78/16/14/499781614.db2.gz MECUTTUMSNWXTH-UHFFFAOYSA-N 2 0 370.584 3.284 20 0 FGADRP CCC[N@H+](CCN1CC[NH+](CC)CC1)Cc1cnc2ccc(C)cc2c1 ZINC000411739041 499785007 /nfs/dbraw/zinc/78/50/07/499785007.db2.gz VMSFRHPPSUCOAB-UHFFFAOYSA-N 2 0 354.542 3.393 20 0 FGADRP C[C@@H](c1ccccc1)[C@H]([NH2+]Cc1cccc(C[NH+]2CCCCC2)c1)C(N)=O ZINC000411764736 499788027 /nfs/dbraw/zinc/78/80/27/499788027.db2.gz ZQCVRPLCSNZACS-AVRDEDQJSA-N 2 0 365.521 3.420 20 0 FGADRP [NH3+]CCN(c1ccc2ccccc2n1)C1CC[NH+](Cc2ccccn2)CC1 ZINC000414488331 499798511 /nfs/dbraw/zinc/79/85/11/499798511.db2.gz LWUTZFPQVUZSLD-UHFFFAOYSA-N 2 0 361.493 3.060 20 0 FGADRP Cc1cc(F)ccc1C[NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000414558103 499808608 /nfs/dbraw/zinc/80/86/08/499808608.db2.gz RCXJXRLJMJRKFQ-UHFFFAOYSA-N 2 0 369.484 3.121 20 0 FGADRP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2C[C@@H](c3ccccc3)C3(CCC3)C2)CC1 ZINC000411990103 499810249 /nfs/dbraw/zinc/81/02/49/499810249.db2.gz SEBUGPSOTIMEEV-NRFANRHFSA-N 2 0 369.553 3.245 20 0 FGADRP C[N@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)[C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000412014823 499813291 /nfs/dbraw/zinc/81/32/91/499813291.db2.gz RBMSLBPWJTTYDF-FGZHOGPDSA-N 2 0 369.553 3.388 20 0 FGADRP CC(C)(C)c1nn(Cc2ccccc2)cc1C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000414666630 499818686 /nfs/dbraw/zinc/81/86/86/499818686.db2.gz GLPFTXZZDODVHG-YSIASYRMSA-N 2 0 352.526 3.398 20 0 FGADRP CC(C)c1ccc(CC2CC[NH+](C[C@@H]3CCCN(C(=O)C[NH3+])C3)CC2)cc1 ZINC000414715556 499822246 /nfs/dbraw/zinc/82/22/46/499822246.db2.gz RBTKOMNQKKLHJN-NRFANRHFSA-N 2 0 371.569 3.262 20 0 FGADRP COc1sc(C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc1Br ZINC000414784993 499831027 /nfs/dbraw/zinc/83/10/27/499831027.db2.gz RYBAXZSVZVZCJX-NWDGAFQWSA-N 2 0 359.333 3.341 20 0 FGADRP C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000414850890 499837986 /nfs/dbraw/zinc/83/79/86/499837986.db2.gz IREDPESJBRLSEM-HZSPNIEDSA-N 2 0 373.419 3.280 20 0 FGADRP C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+][C@H](C)[C@H]1CCC[NH2+]C1 ZINC000414858884 499838645 /nfs/dbraw/zinc/83/86/45/499838645.db2.gz STPOBXPVJZYQNY-MCIONIFRSA-N 2 0 357.420 3.400 20 0 FGADRP COc1ccc([C@H]2CC[NH2+]C[C@H]2NCc2cc(F)c(F)c(F)c2)cc1 ZINC000414883733 499841209 /nfs/dbraw/zinc/84/12/09/499841209.db2.gz NIRAHGARCWMFMN-CRAIPNDOSA-N 2 0 350.384 3.348 20 0 FGADRP CN(c1ccccc1CNC[C@H]1[NH2+]CCCC1(C)C)C1CC[NH+](C)CC1 ZINC000414927462 499845327 /nfs/dbraw/zinc/84/53/27/499845327.db2.gz LYIFMAJUFLZFMV-OAQYLSRUSA-N 2 0 358.574 3.085 20 0 FGADRP COCC1(C[NH2+]C[C@@H](C)c2cccc(Br)c2)CC[NH2+]CC1 ZINC000414979445 499850930 /nfs/dbraw/zinc/85/09/30/499850930.db2.gz VDIZMVVPKFNULF-CQSZACIVSA-N 2 0 355.320 3.158 20 0 FGADRP [NH3+][C@H]1CCC[C@@H](C[NH2+]Cc2cn(-c3ccc(Cl)c(Cl)c3)nn2)C1 ZINC000414993090 499852538 /nfs/dbraw/zinc/85/25/38/499852538.db2.gz CDRPUWJYKLNVJT-NEPJUHHUSA-N 2 0 354.285 3.181 20 0 FGADRP [NH3+]C[C@H]1CC[C@H](C[NH2+]Cc2cn(-c3cccc(Cl)c3Cl)nn2)CC1 ZINC000415020575 499855706 /nfs/dbraw/zinc/85/57/06/499855706.db2.gz GYWZIUGLPDHDEZ-JOCQHMNTSA-N 2 0 368.312 3.429 20 0 FGADRP Cc1cc(C[NH2+]C2CCC([NH+]3CCNCC3)CC2)ccc1Br ZINC000415048205 499857891 /nfs/dbraw/zinc/85/78/91/499857891.db2.gz FWDJUUHMLBSLDN-UHFFFAOYSA-N 2 0 366.347 3.064 20 0 FGADRP CCC[C@@H]([NH2+]C[C@H]1CCCN(C(=O)C[NH3+])C1)c1cccc(C(F)(F)F)c1 ZINC000415107233 499864638 /nfs/dbraw/zinc/86/46/38/499864638.db2.gz NNYACGMBEXXCBR-RHSMWYFYSA-N 2 0 371.447 3.334 20 0 FGADRP Cc1ccc(C[NH+]2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)cc1Br ZINC000415128614 499867404 /nfs/dbraw/zinc/86/74/04/499867404.db2.gz SNSKBDHLYWETDK-FUHWJXTLSA-N 2 0 367.331 3.476 20 0 FGADRP [NH3+][C@H]1CCO[C@@H](C2CC[NH+](Cc3ccc(OC(F)(F)F)cc3)CC2)C1 ZINC000415127274 499867546 /nfs/dbraw/zinc/86/75/46/499867546.db2.gz QTGXHFANUCJVCG-DOTOQJQBSA-N 2 0 358.404 3.304 20 0 FGADRP COc1ccc(C(=O)Nc2cccc(C[N@@H+]3CC[C@@H](C)[C@@H](C[NH3+])C3)c2)cc1 ZINC000415134165 499868926 /nfs/dbraw/zinc/86/89/26/499868926.db2.gz VRSASPOWHTVGED-APWZRJJASA-N 2 0 367.493 3.364 20 0 FGADRP C[C@H](c1cccc(NC(=O)N[C@@H](C[NH3+])C2CCCCC2)c1)N1CCOCC1 ZINC000415152164 499870855 /nfs/dbraw/zinc/87/08/55/499870855.db2.gz UGAJLSFWXLOLMQ-UZLBHIALSA-N 2 0 374.529 3.109 20 0 FGADRP O[C@H]1CC[N@H+](Cc2ccccc2C[NH2+]CCc2ccc(F)cc2Cl)C1 ZINC000573294689 506163876 /nfs/dbraw/zinc/16/38/76/506163876.db2.gz LWDCWTFBDFUEEQ-IBGZPJMESA-N 2 0 362.876 3.378 20 0 FGADRP CC1CC[NH+](CCc2cccc(NC(=O)N3C[C@H](C)[NH2+]C[C@@H]3C)c2)CC1 ZINC000415386810 499890664 /nfs/dbraw/zinc/89/06/64/499890664.db2.gz GKZUHAJUXKLNSV-ROUUACIJSA-N 2 0 358.530 3.175 20 0 FGADRP C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)N[C@H](C[NH3+])c1ccc2ccccc2c1 ZINC000582231460 506164851 /nfs/dbraw/zinc/16/48/51/506164851.db2.gz XTWMPOGEZLAGCH-HBGVWJBISA-N 2 0 366.509 3.108 20 0 FGADRP O=C(Nc1ccc2c(c1)C[NH2+]CC2)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000415879051 499923842 /nfs/dbraw/zinc/92/38/42/499923842.db2.gz ABIPYDYWRCIUBX-UHFFFAOYSA-N 2 0 364.493 3.072 20 0 FGADRP CC[NH2+]Cc1cccc(NC(=O)NC[C@@H](C)[N@@H+]2CCc3ccccc3C2)c1 ZINC000415902701 499926219 /nfs/dbraw/zinc/92/62/19/499926219.db2.gz DCOJGUYUPMAVGV-QGZVFWFLSA-N 2 0 366.509 3.364 20 0 FGADRP C[NH2+]Cc1cccc(NC(=O)NC2CC[NH+]([C@H](C)c3ccncc3)CC2)c1 ZINC000415915832 499927906 /nfs/dbraw/zinc/92/79/06/499927906.db2.gz AHFMKYDBIZBEQN-MRXNPFEDSA-N 2 0 367.497 3.148 20 0 FGADRP CC[NH2+]Cc1cccc(NC(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000415920705 499928873 /nfs/dbraw/zinc/92/88/73/499928873.db2.gz PBWMYBPLJFEFNN-HXUWFJFHSA-N 2 0 366.509 3.440 20 0 FGADRP CC[NH2+]Cc1cccc(NC(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000415920704 499928893 /nfs/dbraw/zinc/92/88/93/499928893.db2.gz PBWMYBPLJFEFNN-FQEVSTJZSA-N 2 0 366.509 3.440 20 0 FGADRP CC[NH2+]Cc1ccccc1NC(=O)N1CC([N@H+](C)Cc2ccccc2)C1 ZINC000415930412 499929751 /nfs/dbraw/zinc/92/97/51/499929751.db2.gz JWQIMSJEJCVGKB-UHFFFAOYSA-N 2 0 352.482 3.144 20 0 FGADRP COc1cc2[nH+]ccc(N3C[C@@H](SC)[C@@H]([NH+]4CCCC4)C3)c2cc1OC ZINC000413232288 499930457 /nfs/dbraw/zinc/93/04/57/499930457.db2.gz OHOGSDFKEBZKGO-FXAWDEMLSA-N 2 0 373.522 3.268 20 0 FGADRP CC[NH2+]Cc1ccccc1NC(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000415953950 499932895 /nfs/dbraw/zinc/93/28/95/499932895.db2.gz LOTWSCWEYYOCON-UHFFFAOYSA-N 2 0 358.461 3.319 20 0 FGADRP CC[NH2+]Cc1ccccc1NC(=O)NC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000415960246 499933674 /nfs/dbraw/zinc/93/36/74/499933674.db2.gz UTPAIGSFENTZAI-KRWDZBQOSA-N 2 0 354.498 3.438 20 0 FGADRP C[C@H](NC(=O)Nc1ccc(C[NH3+])cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000415961629 499933996 /nfs/dbraw/zinc/93/39/96/499933996.db2.gz RURQPQGCROSXRL-QFBILLFUSA-N 2 0 352.482 3.177 20 0 FGADRP CN(C(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000415969955 499935229 /nfs/dbraw/zinc/93/52/29/499935229.db2.gz KTXNSVQHFNSNLO-XYPWUTKMSA-N 2 0 370.419 3.253 20 0 FGADRP C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000415970957 499935417 /nfs/dbraw/zinc/93/54/17/499935417.db2.gz MDJNNKOYACLZLJ-BLLLJJGKSA-N 2 0 370.419 3.255 20 0 FGADRP C[NH+]1CCC(N(Cc2ccccc2)C(=O)Nc2ccc(C[NH3+])cc2)CC1 ZINC000415971211 499935594 /nfs/dbraw/zinc/93/55/94/499935594.db2.gz FWFWWKHIVSGDFH-UHFFFAOYSA-N 2 0 352.482 3.274 20 0 FGADRP C[NH2+]Cc1ccc(NC(=O)N(CC[NH+](C)C)Cc2cccc(C)c2)cc1 ZINC000415975531 499936378 /nfs/dbraw/zinc/93/63/78/499936378.db2.gz UEYMSUZXDNDPAE-UHFFFAOYSA-N 2 0 354.498 3.310 20 0 FGADRP O=C(Nc1ccc2c(c1)C[NH2+]C2)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000415998204 499939286 /nfs/dbraw/zinc/93/92/86/499939286.db2.gz RQPCSEWWGCRNOS-KRWDZBQOSA-N 2 0 356.514 3.410 20 0 FGADRP COc1ccc([C@@H](C[NH+](C)C)NC(=O)C[C@@H](c2ccccc2)[NH+](C)C)cc1 ZINC000416241033 499991854 /nfs/dbraw/zinc/99/18/54/499991854.db2.gz KRNRBDOSWXTYCP-RTWAWAEBSA-N 2 0 369.509 3.107 20 0 FGADRP CC1CC[NH+]([C@H](CNC(=O)N(C)CC(C)(C)C[NH3+])c2ccccc2)CC1 ZINC000417214093 500007287 /nfs/dbraw/zinc/00/72/87/500007287.db2.gz JZWNBODYQMREOI-LJQANCHMSA-N 2 0 360.546 3.086 20 0 FGADRP C[NH2+]C[C@@H]1CCCN1C(=O)NCc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000417220407 500009238 /nfs/dbraw/zinc/00/92/38/500009238.db2.gz NYFGDAKAXXWJPW-NRFANRHFSA-N 2 0 372.557 3.345 20 0 FGADRP C[C@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)[C@@H]1C[C@H]1c1cccs1 ZINC000417314445 500037156 /nfs/dbraw/zinc/03/71/56/500037156.db2.gz ZBCAECDURNJQGR-ZYSHUDEJSA-N 2 0 371.550 3.321 20 0 FGADRP C[NH2+]C[C@H]1CCCN(C(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)C1 ZINC000417330434 500041419 /nfs/dbraw/zinc/04/14/19/500041419.db2.gz DRAHOWNBEVPIFJ-OAQYLSRUSA-N 2 0 372.557 3.204 20 0 FGADRP CSC[C@@H]1CCC[NH+](CC2(C[N@H+]3CCC[C@H](CSC)C3)COC2)C1 ZINC000429297022 500046770 /nfs/dbraw/zinc/04/67/70/500046770.db2.gz CLCABYMIRSDZIA-HDICACEKSA-N 2 0 372.644 3.153 20 0 FGADRP O=C(NCCC1=CC[NH2+]CC1)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000417367452 500050365 /nfs/dbraw/zinc/05/03/65/500050365.db2.gz NTYUSCAMTXLLDM-UHFFFAOYSA-N 2 0 370.541 3.172 20 0 FGADRP C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)NC2(C[NH3+])CCCC2)c1 ZINC000429397085 500069306 /nfs/dbraw/zinc/06/93/06/500069306.db2.gz IALOCDQZGOHPDL-UHFFFAOYSA-N 2 0 351.494 3.320 20 0 FGADRP CCC[NH+]1CCC([NH2+]C[C@H](CO)Cc2ccc(Br)cc2)CC1 ZINC000429417183 500074294 /nfs/dbraw/zinc/07/42/94/500074294.db2.gz MVKAKFYQYXZDKM-MRXNPFEDSA-N 2 0 369.347 3.064 20 0 FGADRP CCCN(C(=O)NCC1([NH+]2CCCCC2)CCCCC1)C1CC[NH2+]CC1 ZINC000416823513 500129782 /nfs/dbraw/zinc/12/97/82/500129782.db2.gz OAWVTZAMYROWBW-UHFFFAOYSA-N 2 0 364.578 3.349 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N[C@@H]1CC[C@H](C[NH3+])C1)c1ccccc1Cl ZINC000416827797 500131257 /nfs/dbraw/zinc/13/12/57/500131257.db2.gz DABVZWNVOYKNMX-HDMKZQKVSA-N 2 0 366.937 3.150 20 0 FGADRP CCc1ccc([C@H](CNC(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)[NH+](C)C)cc1 ZINC000416833160 500133001 /nfs/dbraw/zinc/13/30/01/500133001.db2.gz CHAPZMJYVDNDPZ-SFTDATJTSA-N 2 0 372.557 3.025 20 0 FGADRP C[NH+](C)C1(CNC(=O)N[C@H](C[NH3+])c2ccc3ccccc3c2)CCCC1 ZINC000416832707 500133095 /nfs/dbraw/zinc/13/30/95/500133095.db2.gz UXSAGFCTBDOSDY-LJQANCHMSA-N 2 0 354.498 3.013 20 0 FGADRP CCc1ccc([C@@H](CNC(=O)NCc2ccc([C@H](C)[NH3+])cc2)[NH+](C)C)cc1 ZINC000416847220 500136753 /nfs/dbraw/zinc/13/67/53/500136753.db2.gz UYQBVCCFEVPJIW-HRAATJIYSA-N 2 0 368.525 3.371 20 0 FGADRP CC[C@@H]1CCC[C@H]1[NH2+][C@@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000429762966 500138850 /nfs/dbraw/zinc/13/88/50/500138850.db2.gz HEYKBVQCHAVYIY-FBBABVLZSA-N 2 0 357.542 3.324 20 0 FGADRP C[C@@H](C[NH2+][C@@H](C)c1csc(-c2ccccc2)n1)CN1CC[NH+](C)CC1 ZINC000414068939 500143785 /nfs/dbraw/zinc/14/37/85/500143785.db2.gz IVYPNRBFXILFTD-IRXDYDNUSA-N 2 0 358.555 3.344 20 0 FGADRP C[C@H](CCCC[NH3+])NC(=O)N[C@@H](C[N@@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000417675164 500145973 /nfs/dbraw/zinc/14/59/73/500145973.db2.gz BHCQVJGYOVLRNP-XLIONFOSSA-N 2 0 374.573 3.276 20 0 FGADRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000416892488 500148393 /nfs/dbraw/zinc/14/83/93/500148393.db2.gz OTVKHLAYYVFXQC-FQEVSTJZSA-N 2 0 360.546 3.187 20 0 FGADRP O=C(NCCC[C@@H]1CCC[NH2+]1)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000416897300 500150127 /nfs/dbraw/zinc/15/01/27/500150127.db2.gz XUHPBKOKKNUGJV-FQEVSTJZSA-N 2 0 358.530 3.004 20 0 FGADRP CCC(CC)(CNC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1)[NH2+][C@H](C)c1ccccc1 ZINC000417700978 500151891 /nfs/dbraw/zinc/15/18/91/500151891.db2.gz JFCRCYBHOUNKRP-MISYRCLQSA-N 2 0 372.557 3.147 20 0 FGADRP CCC(CC)(CNC(=O)N[C@@H]1CC[NH2+]C[C@@H]1C)[NH2+][C@@H](C)c1ccccc1 ZINC000417702691 500152270 /nfs/dbraw/zinc/15/22/70/500152270.db2.gz KQWZUFDNKURACA-JENIJYKNSA-N 2 0 360.546 3.193 20 0 FGADRP CC(C)(C)O[C@@H]1C[C@H]([NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)C1(C)C ZINC000414098863 500152638 /nfs/dbraw/zinc/15/26/38/500152638.db2.gz SZUSEYMJOBBNSE-CADBVGFASA-N 2 0 352.563 3.326 20 0 FGADRP CCC(CC)(CNC(=O)N1C[C@H](C[NH3+])C[C@@H]1C)[NH2+][C@H](C)c1ccccc1 ZINC000417704778 500153301 /nfs/dbraw/zinc/15/33/01/500153301.db2.gz MTNVCPFODSIZLC-KSZLIROESA-N 2 0 360.546 3.275 20 0 FGADRP C[NH2+]C[C@@H]1CCCN1C(=O)NCC1([NH2+][C@H](C)c2ccccc2)CCCC1 ZINC000417712355 500154714 /nfs/dbraw/zinc/15/47/14/500154714.db2.gz WTDKRYIAHQCFEE-MJGOQNOKSA-N 2 0 358.530 3.043 20 0 FGADRP C[C@@H]([NH2+]C1(CNC(=O)NC2CCC([NH3+])CC2)CCCC1)c1ccccc1 ZINC000417712290 500155121 /nfs/dbraw/zinc/15/51/21/500155121.db2.gz WQLDULYLAPYQFW-IPJUCJBFSA-N 2 0 358.530 3.219 20 0 FGADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000417734324 500159249 /nfs/dbraw/zinc/15/92/49/500159249.db2.gz KAXQTWPTNVHKNX-JFIYKMOQSA-N 2 0 366.575 3.146 20 0 FGADRP C[C@H]([NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1)c1ccncc1Cl ZINC000421853467 500163862 /nfs/dbraw/zinc/16/38/62/500163862.db2.gz JJOARJSIGDTSSI-INIZCTEOSA-N 2 0 359.901 3.413 20 0 FGADRP CCC(CC)[C@@H](CNC(=O)N1CCC([C@H]2CCC[NH2+]2)CC1)[NH+]1CCCC1 ZINC000416958474 500166321 /nfs/dbraw/zinc/16/63/21/500166321.db2.gz PBDWTTFDSRIWPV-WOJBJXKFSA-N 2 0 364.578 3.061 20 0 FGADRP C[C@H](CCCC[NH3+])NC(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000416968253 500168670 /nfs/dbraw/zinc/16/86/70/500168670.db2.gz AFDBNEMBYAZRMS-GOSISDBHSA-N 2 0 360.546 3.235 20 0 FGADRP C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)NCCC[C@H]2CCC[NH2+]2)C1 ZINC000416966745 500168851 /nfs/dbraw/zinc/16/88/51/500168851.db2.gz GAIJTGULSHUZNJ-GHTZIAJQSA-N 2 0 372.557 3.250 20 0 FGADRP C[C@H](CCCC[NH3+])NC(=O)NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000416969332 500169315 /nfs/dbraw/zinc/16/93/15/500169315.db2.gz BNBGITNFXWSPIG-MSOLQXFVSA-N 2 0 360.546 3.378 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)cc1 ZINC000416969805 500170312 /nfs/dbraw/zinc/17/03/12/500170312.db2.gz COOFFKZYSDHBLW-UIFIKXQLSA-N 2 0 370.541 3.097 20 0 FGADRP C[C@@H](CCC[NH3+])NC(=O)NCc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000416979990 500173770 /nfs/dbraw/zinc/17/37/70/500173770.db2.gz ASROWCJEQBTTFY-KSZLIROESA-N 2 0 360.546 3.091 20 0 FGADRP CC[NH+](CC)Cc1cccc(CNC(=O)NC[C@@H]([NH3+])c2ccccc2)c1 ZINC000416988996 500176856 /nfs/dbraw/zinc/17/68/56/500176856.db2.gz UZYQFUWMZLJWJF-HXUWFJFHSA-N 2 0 354.498 3.028 20 0 FGADRP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)N3CC[C@@](C)(C[NH3+])C3)cc2)C1 ZINC000416992887 500178317 /nfs/dbraw/zinc/17/83/17/500178317.db2.gz PMWHFPLEOWHRKS-HMFYCAOWSA-N 2 0 372.557 3.045 20 0 FGADRP C[C@@H]1C[C@@H](NC(=O)NC[C@@H]([NH3+])c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000417826280 500179764 /nfs/dbraw/zinc/17/97/64/500179764.db2.gz BZMFAKQSQGUABI-JRGCBEDISA-N 2 0 366.509 3.039 20 0 FGADRP CCCN(C(=O)NC[C@@H](Cc1ccccc1)[NH+](CC)CC)C1CC[NH2+]CC1 ZINC000416999951 500180278 /nfs/dbraw/zinc/18/02/78/500180278.db2.gz COQBQUWDVXHNQR-OAQYLSRUSA-N 2 0 374.573 3.113 20 0 FGADRP C[NH2+]CCC1CCN(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000417843039 500182762 /nfs/dbraw/zinc/18/27/62/500182762.db2.gz QDEREZIVFKRAMQ-RXVVDRJESA-N 2 0 372.557 3.071 20 0 FGADRP CC1CC[NH+](CCCCNC(=O)N2CCCC[C@H]2[C@H]2CCC[NH2+]C2)CC1 ZINC000417021531 500185825 /nfs/dbraw/zinc/18/58/25/500185825.db2.gz GSNLDAKCKAGJPO-PMACEKPBSA-N 2 0 364.578 3.062 20 0 FGADRP CC(C)[N@@H+]1CCc2nc(CN3CC[NH+]([C@@H]4C[C@H]4C)C[C@H](C)C3)sc2C1 ZINC000430154789 500201004 /nfs/dbraw/zinc/20/10/04/500201004.db2.gz YCRPIHRRUVUOQY-JFIYKMOQSA-N 2 0 362.587 3.072 20 0 FGADRP CC(C)N(CC[NH+](C)C)C(=O)NC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000430217859 500210706 /nfs/dbraw/zinc/21/07/06/500210706.db2.gz LOHNUQXCLWBBBE-OAQYLSRUSA-N 2 0 360.546 3.023 20 0 FGADRP CN(CCOc1ccccc1Cl)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000425938577 500214489 /nfs/dbraw/zinc/21/44/89/500214489.db2.gz AJAJFMZVCMRWPV-NRFANRHFSA-N 2 0 374.912 3.288 20 0 FGADRP CN(C)C(=O)c1ccccc1C[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000418024165 500215659 /nfs/dbraw/zinc/21/56/59/500215659.db2.gz DBAIYYOWLBFPTG-LJQANCHMSA-N 2 0 351.494 3.000 20 0 FGADRP C[NH+](C)C1CCC(NC(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)CC1 ZINC000422129990 500217453 /nfs/dbraw/zinc/21/74/53/500217453.db2.gz AICFCIDTYUBGSC-OFLPRAFFSA-N 2 0 364.559 3.057 20 0 FGADRP CCCC[C@@H](C[NH3+])NC(=O)NC[C@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000418044419 500220061 /nfs/dbraw/zinc/22/00/61/500220061.db2.gz ZWWALAYNJBCHQT-JKSUJKDBSA-N 2 0 374.451 3.125 20 0 FGADRP C[N@H+](CCCCOc1ccccc1)C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000425982143 500220804 /nfs/dbraw/zinc/22/08/04/500220804.db2.gz VCWSOYBELVUPFU-QHCPKHFHSA-N 2 0 368.521 3.414 20 0 FGADRP CC1CC[NH+](Cc2ccccc2CNC(=O)NCCC[C@H]2CCC[NH2+]2)CC1 ZINC000418071325 500225297 /nfs/dbraw/zinc/22/52/97/500225297.db2.gz VTEAXDWMOISYGB-OAQYLSRUSA-N 2 0 372.557 3.250 20 0 FGADRP O=C(NCC[NH2+]C1CCCCCC1)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000418099643 500229503 /nfs/dbraw/zinc/22/95/03/500229503.db2.gz CGPWBSUJIZTHLH-HXUWFJFHSA-N 2 0 372.557 3.120 20 0 FGADRP OCC[NH+]1CCC(C[NH2+][C@H](Cc2cccnc2)c2cccc(Cl)c2)CC1 ZINC000426061926 500231468 /nfs/dbraw/zinc/23/14/68/500231468.db2.gz LHBODFUSYMLCOX-OAQYLSRUSA-N 2 0 373.928 3.313 20 0 FGADRP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000418150818 500237737 /nfs/dbraw/zinc/23/77/37/500237737.db2.gz DKDSQTBDGMDLHR-UXHICEINSA-N 2 0 372.557 3.104 20 0 FGADRP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000418154264 500238197 /nfs/dbraw/zinc/23/81/97/500238197.db2.gz JMVSLZZKZNFCOJ-PMACEKPBSA-N 2 0 372.557 3.119 20 0 FGADRP CC1CC[NH+](C[C@@H]2CCCN(C(=O)NC3CCC([NH+](C)C)CC3)C2)CC1 ZINC000422235116 500238882 /nfs/dbraw/zinc/23/88/82/500238882.db2.gz FMTMQRNKBIAPDN-HDYDNRTBSA-N 2 0 364.578 3.013 20 0 FGADRP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000418154268 500238938 /nfs/dbraw/zinc/23/89/38/500238938.db2.gz JMVSLZZKZNFCOJ-WOJBJXKFSA-N 2 0 372.557 3.119 20 0 FGADRP O=C(NCc1ccc(C[NH+]2CCCCCC2)cc1)[C@H]1CCC[N@@H+]1C1CC1 ZINC000426135828 500239742 /nfs/dbraw/zinc/23/97/42/500239742.db2.gz IUVZNWULCNVKJI-OAQYLSRUSA-N 2 0 355.526 3.306 20 0 FGADRP Cc1ccccc1[C@@H]([C@H](C)NC(=O)NC[C@H]1CC[C@H](C[NH3+])CC1)[NH+](C)C ZINC000418175054 500242966 /nfs/dbraw/zinc/24/29/66/500242966.db2.gz FUIAEEXEAFTWCF-CGBFIWBNSA-N 2 0 360.546 3.051 20 0 FGADRP CCC[N@H+](C)[C@@H](CNC(=O)N[C@H](C)CCC[NH3+])c1ccc(Cl)cc1 ZINC000418183872 500244445 /nfs/dbraw/zinc/24/44/45/500244445.db2.gz OXZMRGMEKNJXEG-PBHICJAKSA-N 2 0 354.926 3.150 20 0 FGADRP CCC[N@H+](C)[C@H](CNC(=O)N[C@H]1CC[NH2+][C@@H](C)C1)c1ccc(Cl)cc1 ZINC000418188964 500245796 /nfs/dbraw/zinc/24/57/96/500245796.db2.gz VBUWOQJKUCQJAX-JCGIZDLHSA-N 2 0 366.937 3.163 20 0 FGADRP CCC[N@H+](C)[C@H](CNC(=O)N[C@@H]1CC[NH2+]C[C@H]1C)c1ccc(Cl)cc1 ZINC000418192323 500246684 /nfs/dbraw/zinc/24/66/84/500246684.db2.gz YKJIOCBNUKERQJ-ZTFGCOKTSA-N 2 0 366.937 3.020 20 0 FGADRP CCc1ccc([C@H](CNC(=O)N2CC[C@@]3(CC[NH2+]C3)C2)[NH+](CC)CC)cc1 ZINC000418215767 500250747 /nfs/dbraw/zinc/25/07/47/500250747.db2.gz NIEOAVBJDVAMAI-RBBKRZOGSA-N 2 0 372.557 3.027 20 0 FGADRP CCc1ccc([C@H](CNC(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)[NH+](CC)CC)cc1 ZINC000418221353 500251585 /nfs/dbraw/zinc/25/15/85/500251585.db2.gz VQTBGANQNOUBTI-HBMCJLEFSA-N 2 0 372.557 3.025 20 0 FGADRP CC(C)c1nnc(CC[NH2+][C@H](C)c2ccc(OCC[NH+](C)C)cc2)s1 ZINC000426295044 500257735 /nfs/dbraw/zinc/25/77/35/500257735.db2.gz LMTDINLGCMGRNP-OAHLLOKOSA-N 2 0 362.543 3.495 20 0 FGADRP CC(C)c1ccc([C@@H]([NH3+])CNC(=O)N2CC[C@@H](C[N@H+](C)CC3CC3)C2)cc1 ZINC000418317792 500261405 /nfs/dbraw/zinc/26/14/05/500261405.db2.gz BCXFPYDJLBEMDZ-RXVVDRJESA-N 2 0 372.557 3.183 20 0 FGADRP CC[NH+](CC)CCCC1CCN(C(=O)NCC2([NH3+])CCCCC2)CC1 ZINC000418320314 500261955 /nfs/dbraw/zinc/26/19/55/500261955.db2.gz QEWBQSCNAJUQKN-UHFFFAOYSA-N 2 0 352.567 3.192 20 0 FGADRP [NH3+]C[C@H]1CCC[N@H+](CCC(=O)N[C@@H](c2cccs2)c2ccccc2)C1 ZINC000430642440 500265315 /nfs/dbraw/zinc/26/53/15/500265315.db2.gz KMFWWESXPSJEPK-OXQOHEQNSA-N 2 0 357.523 3.015 20 0 FGADRP CC[N@H+](CCC1CCN(C(=O)N[C@H](C)[C@H]2CCC[NH2+]C2)CC1)CC(C)C ZINC000418348044 500266417 /nfs/dbraw/zinc/26/64/17/500266417.db2.gz QYDAMKDHVANDLZ-QUCCMNQESA-N 2 0 366.594 3.164 20 0 FGADRP CC(C)c1ccc([C@@H]([NH3+])CNC(=O)N2CCC([NH+]3CCCC3)CC2)cc1 ZINC000418365445 500268656 /nfs/dbraw/zinc/26/86/56/500268656.db2.gz XNUPOAWYKZJRMG-FQEVSTJZSA-N 2 0 358.530 3.080 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CCCc1ccc(C)s1 ZINC000430715118 500273968 /nfs/dbraw/zinc/27/39/68/500273968.db2.gz OBBFILQBORUPCF-SFHVURJKSA-N 2 0 365.587 3.254 20 0 FGADRP CC(C)C[C@@H](C[NH3+])NC(=O)N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000418430060 500275313 /nfs/dbraw/zinc/27/53/13/500275313.db2.gz UFTPFEJZZTZGQQ-MJGOQNOKSA-N 2 0 352.567 3.046 20 0 FGADRP CC[N@H+](CCC1CCN(C(=O)NCC([NH3+])(CC)CC)CC1)CC(C)C ZINC000418428957 500275443 /nfs/dbraw/zinc/27/54/43/500275443.db2.gz RHXNOAYYRULOOI-UHFFFAOYSA-N 2 0 354.583 3.294 20 0 FGADRP C[C@@H]([NH3+])c1ccc(CNC(=O)N(Cc2ccco2)C2CC[NH+](C)CC2)cc1 ZINC000418459022 500279522 /nfs/dbraw/zinc/27/95/22/500279522.db2.gz ILDQJJIQVMQPCR-MRXNPFEDSA-N 2 0 370.497 3.105 20 0 FGADRP C[C@@H]([NH3+])c1ccc(CNC(=O)N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)cc1 ZINC000418466248 500280124 /nfs/dbraw/zinc/28/01/24/500280124.db2.gz QXFCKOWNWDETHE-QUCCMNQESA-N 2 0 372.557 3.360 20 0 FGADRP C[C@@H]([NH3+])c1ccc(CNC(=O)N[C@@H](C[NH+](C)C)c2ccc(Cl)cc2)cc1 ZINC000418485317 500282050 /nfs/dbraw/zinc/28/20/50/500282050.db2.gz GXMPDEXKZXIABU-KUHUBIRLSA-N 2 0 374.916 3.462 20 0 FGADRP C[C@H]1C[C@H](N(C)C(=O)NCC2(C)CC[NH2+]CC2)CC[N@@H+]1Cc1ccccc1 ZINC000418530072 500287932 /nfs/dbraw/zinc/28/79/32/500287932.db2.gz VHLHCNUNOPEAGK-AZUAARDMSA-N 2 0 372.557 3.071 20 0 FGADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000422719439 500289129 /nfs/dbraw/zinc/28/91/29/500289129.db2.gz REIXVWBOQQNNIQ-PMOQBDJRSA-N 2 0 351.538 3.099 20 0 FGADRP CN(CCC[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1ccccc1F ZINC000422716667 500289571 /nfs/dbraw/zinc/28/95/71/500289571.db2.gz NPUSQOATNXISPD-UGKGYDQZSA-N 2 0 369.484 3.498 20 0 FGADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]CC1(c2cccc(Br)c2)CCC1 ZINC000422742869 500292835 /nfs/dbraw/zinc/29/28/35/500292835.db2.gz SKZZWDLPEIQQAC-RRQGHBQHSA-N 2 0 367.331 3.213 20 0 FGADRP C[C@@H](NCC1([NH2+][C@@H](C)c2ccccc2)CCOCC1)c1c[nH+]ccc1N ZINC000422759368 500294490 /nfs/dbraw/zinc/29/44/90/500294490.db2.gz JVRYRIUETHUXQM-DLBZAZTESA-N 2 0 354.498 3.045 20 0 FGADRP CN(CCC[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ccccc1 ZINC000422758705 500294638 /nfs/dbraw/zinc/29/46/38/500294638.db2.gz KPCWEUSJYPULLC-RBBKRZOGSA-N 2 0 351.494 3.358 20 0 FGADRP FC(F)Oc1ccccc1N1CC[C@H]([NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000422756780 500294702 /nfs/dbraw/zinc/29/47/02/500294702.db2.gz IAMCQOODBFTMHQ-LUKYLMHMSA-N 2 0 365.468 3.377 20 0 FGADRP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000418601950 500295416 /nfs/dbraw/zinc/29/54/16/500295416.db2.gz ABWIIJSGPRRSLJ-CTNGQTDRSA-N 2 0 372.557 3.058 20 0 FGADRP C[C@@H]1C[C@@H](N(C)C(=O)N[C@H](C[NH3+])C2CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000418602958 500296113 /nfs/dbraw/zinc/29/61/13/500296113.db2.gz WFLFQBOSQSKOOQ-JRGCBEDISA-N 2 0 372.557 3.198 20 0 FGADRP Cc1ccc([C@H](C[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)N(C)C)cc1 ZINC000422786359 500297193 /nfs/dbraw/zinc/29/71/93/500297193.db2.gz QGXPQEIJDMTEHV-FUDKSRODSA-N 2 0 365.521 3.443 20 0 FGADRP C[N@H+](CCCN[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)Cc1ccccc1 ZINC000422785220 500297307 /nfs/dbraw/zinc/29/73/07/500297307.db2.gz MZCFAINCDNTZCV-GMAHTHKFSA-N 2 0 365.521 3.354 20 0 FGADRP CCc1ccc([C@H]([NH2+][C@@H](C)CCC[NH3+])c2cccc(S(C)(=O)=O)c2)cc1 ZINC000422797878 500299301 /nfs/dbraw/zinc/29/93/01/500299301.db2.gz OWCIISZWSLKUKQ-KKSFZXQISA-N 2 0 374.550 3.459 20 0 FGADRP CC1CC[NH+](Cc2ccc(C[NH2+][C@@H]3CCOC[C@@H]3[C@@H]3CCC[NH2+]3)cc2)CC1 ZINC000422802661 500299616 /nfs/dbraw/zinc/29/96/16/500299616.db2.gz HTNKYUIAFHQWSD-XPWALMASSA-N 3 0 371.569 3.165 20 0 FGADRP COC[C@H](CCC[NH3+])[NH2+]Cc1ccc(CN2CCc3ccccc32)cc1 ZINC000422803065 500300437 /nfs/dbraw/zinc/30/04/37/500300437.db2.gz CJNMZJRIWDQCSC-NRFANRHFSA-N 2 0 353.510 3.093 20 0 FGADRP Cc1cccc(N2CC[NH+](CCCC[NH2+][C@@H]3CCCC[C@H]3C[NH3+])CC2)c1 ZINC000422809632 500300514 /nfs/dbraw/zinc/30/05/14/500300514.db2.gz MIFIIWNFKSRVQN-RBBKRZOGSA-N 3 0 358.574 3.004 20 0 FGADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CCC1CCN(CC(F)(F)F)CC1 ZINC000422820970 500302146 /nfs/dbraw/zinc/30/21/46/500302146.db2.gz TWKTXOJKYPEGQT-ZDUSSCGKSA-N 2 0 358.452 3.164 20 0 FGADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]CCOc1c(Cl)cc(Cl)cc1Cl ZINC000422833425 500303425 /nfs/dbraw/zinc/30/34/25/500303425.db2.gz GVFYGRRCLAAKAA-PXWWUCIGSA-N 2 0 367.704 3.368 20 0 FGADRP COC[C@H](CCC[NH3+])[NH2+]CCOc1c(Cl)cc(Cl)cc1Cl ZINC000422842138 500305051 /nfs/dbraw/zinc/30/50/51/500305051.db2.gz XSECJOIVFHARAF-NSHDSACASA-N 2 0 355.693 3.369 20 0 FGADRP [NH3+]C[C@H]1CC[C@H](CNC(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)CC1 ZINC000418671679 500305206 /nfs/dbraw/zinc/30/52/06/500305206.db2.gz SSWQUPFNIXHXHN-VAMGGRTRSA-N 2 0 364.578 3.049 20 0 FGADRP FC(F)(F)COc1cc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)ccn1 ZINC000422853419 500306189 /nfs/dbraw/zinc/30/61/89/500306189.db2.gz BTCISCHFHHAHKD-HRCADAONSA-N 2 0 357.420 3.423 20 0 FGADRP C[C@@H]1CCC[N@H+](Cc2ccc(C[NH2+][C@@H]3CCOC[C@@H]3[C@@H]3CCC[NH2+]3)cc2)C1 ZINC000422855416 500306204 /nfs/dbraw/zinc/30/62/04/500306204.db2.gz DUCUYGADZJMHNB-TWHAJKEOSA-N 3 0 371.569 3.165 20 0 FGADRP CCN(C(=O)N[C@H](C)CCCC[NH3+])[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000418681749 500307152 /nfs/dbraw/zinc/30/71/52/500307152.db2.gz ZCAUIYZNKITSME-GGPKGHCWSA-N 2 0 360.546 3.371 20 0 FGADRP CCOC(=O)C1([C@@H](C)[NH2+]Cc2ccc(F)cc2CSC)CC[NH2+]CC1 ZINC000422862788 500307228 /nfs/dbraw/zinc/30/72/28/500307228.db2.gz KWLODVLSHXJDDH-CQSZACIVSA-N 2 0 368.518 3.100 20 0 FGADRP C[C@@H]([NH3+])C1CC[NH+](CC(=O)N[C@H](c2ccccc2)C2CCCCC2)CC1 ZINC000430920624 500307497 /nfs/dbraw/zinc/30/74/97/500307497.db2.gz PPIIEAJIPGZQGL-VGOFRKELSA-N 2 0 357.542 3.483 20 0 FGADRP C[C@@H](CCCC[NH3+])NC(=O)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000418690549 500308830 /nfs/dbraw/zinc/30/88/30/500308830.db2.gz HEXIIISSDNIGAH-IBGZPJMESA-N 2 0 372.557 3.202 20 0 FGADRP C[C@@H]1CN(c2ccc(C[NH2+][C@@H]3CCC[C@@H]3[C@H]3CCCC[NH2+]3)cn2)C[C@H](C)O1 ZINC000422879398 500309616 /nfs/dbraw/zinc/30/96/16/500309616.db2.gz KIAXTYFFAMIKJD-CXUGJCBMSA-N 2 0 372.557 3.096 20 0 FGADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]Cc1ccc(N2CCCCCC2)nc1 ZINC000422891355 500311846 /nfs/dbraw/zinc/31/18/46/500311846.db2.gz KIWGVSXDFXIXNS-INIZCTEOSA-N 2 0 353.514 3.475 20 0 FGADRP C[NH2+]CC1CC[NH+](Cc2nc3ccccc3n2-c2ccc(OC)cc2)CC1 ZINC000430953789 500312894 /nfs/dbraw/zinc/31/28/94/500312894.db2.gz CQDDSFXDGQKQBB-UHFFFAOYSA-N 2 0 364.493 3.466 20 0 FGADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CC1CC[NH+](Cc2ccccc2)CC1 ZINC000422908701 500314294 /nfs/dbraw/zinc/31/42/94/500314294.db2.gz ZAOIXOMJJREDEG-CVDCTZTESA-N 3 0 351.538 3.447 20 0 FGADRP COc1ccc(-c2nn(-c3ccccc3)cc2C[N@@H+]2CC[C@@H](C[NH3+])C2)cc1 ZINC000430965275 500314382 /nfs/dbraw/zinc/31/43/82/500314382.db2.gz IMHIMWLUGWYVTJ-KRWDZBQOSA-N 2 0 362.477 3.329 20 0 FGADRP CCOC(=O)C1([C@@H](C)[NH2+][C@H]2CCSc3ccc(F)cc32)CC[NH2+]CC1 ZINC000422909005 500315591 /nfs/dbraw/zinc/31/55/91/500315591.db2.gz FBHIRDKDXHGHJX-CJNGLKHVSA-N 2 0 366.502 3.274 20 0 FGADRP CCOc1ccc([C@H](C)NC(=O)CCC[NH2+]C2CCC(C[NH3+])CC2)cc1 ZINC000422928670 500318333 /nfs/dbraw/zinc/31/83/33/500318333.db2.gz LYQRLZGWJKYGDZ-MUYFXNHWSA-N 2 0 361.530 3.150 20 0 FGADRP COc1cc(OC)cc(OCCC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)c1 ZINC000422929017 500318557 /nfs/dbraw/zinc/31/85/57/500318557.db2.gz NXZLDZSNDBQFKW-PCCBWWKXSA-N 2 0 362.514 3.373 20 0 FGADRP CCOC(=O)C1([C@H](C)[NH2+][C@H]2CCc3c2cccc3Cl)CC[NH2+]CC1 ZINC000422930938 500318817 /nfs/dbraw/zinc/31/88/17/500318817.db2.gz AEIZEXLGTZBEMY-GUYCJALGSA-N 2 0 350.890 3.238 20 0 FGADRP Cc1ccc(NC(=O)COc2ccc(CC[NH2+][C@H](C)C[C@@H](C)[NH3+])cc2)cc1 ZINC000422933134 500319283 /nfs/dbraw/zinc/31/92/83/500319283.db2.gz HDGFKWPELDLZBY-QZTJIDSGSA-N 2 0 369.509 3.270 20 0 FGADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]CCc1ccc(OCc2ccccc2)cc1 ZINC000422935170 500319749 /nfs/dbraw/zinc/31/97/49/500319749.db2.gz DEMQOCQNCKZYPE-MTNREXPMSA-N 2 0 354.494 3.150 20 0 FGADRP Cc1ccc(NC(=O)COc2ccc(CC[NH2+][C@H]3CCC[C@@H]3[NH3+])cc2)cc1 ZINC000422938478 500319816 /nfs/dbraw/zinc/31/98/16/500319816.db2.gz PPLPKUJSWVPSJC-SFTDATJTSA-N 2 0 367.493 3.024 20 0 FGADRP CC[NH+]1CCN(Cc2ccc(NC(=O)[C@H]3CCCCCC[C@H]3[NH3+])cc2)CC1 ZINC000431004411 500320954 /nfs/dbraw/zinc/32/09/54/500320954.db2.gz QZUYTNAIVUSWOM-LEWJYISDSA-N 2 0 372.557 3.060 20 0 FGADRP Fc1ccc2c(c1)[C@H]([NH2+][C@@H]1C[C@@]3(CC[NH2+]C3)Oc3ccccc31)CCO2 ZINC000422958091 500323826 /nfs/dbraw/zinc/32/38/26/500323826.db2.gz ONQKXXZOYSHKBC-DBXWQHBBSA-N 2 0 354.425 3.495 20 0 FGADRP O=C1CCCN1Cc1cccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)c1 ZINC000422958298 500324098 /nfs/dbraw/zinc/32/40/98/500324098.db2.gz PCQIGRBYTPYGJT-PWRODBHTSA-N 2 0 355.526 3.209 20 0 FGADRP c1cc(COC2CCOCC2)ccc1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000422961987 500324689 /nfs/dbraw/zinc/32/46/89/500324689.db2.gz BLIZDWREQBOAIL-BHIFYINESA-N 2 0 358.526 3.393 20 0 FGADRP O[C@H](C(F)F)[C@H](Cc1ccccc1)[NH2+][C@@H]1CCN[C@H](c2ccccc2)C1 ZINC000422972707 500325624 /nfs/dbraw/zinc/32/56/24/500325624.db2.gz AJKKUPAEGNNXNE-FYQPLNBISA-N 2 0 360.448 3.307 20 0 FGADRP O=C(C[NH+]1CCC2(CC[NH2+]C2)CC1)N[C@@H](c1ccc(F)cc1)C1CCCC1 ZINC000431036101 500326437 /nfs/dbraw/zinc/32/64/37/500326437.db2.gz HHENISRMLCTYSA-OAQYLSRUSA-N 2 0 373.516 3.249 20 0 FGADRP CC(C)C[N@@H+]1CCCC[C@@H]1CN[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422991497 500328199 /nfs/dbraw/zinc/32/81/99/500328199.db2.gz BHHSZXCMQWEOLL-SYYKKAFVSA-N 2 0 357.542 3.342 20 0 FGADRP OC[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)Cc1ccc(C(F)(F)F)cc1 ZINC000422994735 500328597 /nfs/dbraw/zinc/32/85/97/500328597.db2.gz VZPGVRHGNUOOOU-JCHJZTRSSA-N 2 0 370.459 3.367 20 0 FGADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]CCCOc1ncc(C(F)(F)F)cc1Cl ZINC000423014480 500330743 /nfs/dbraw/zinc/33/07/43/500330743.db2.gz PFCVYYRGJZSZML-GXFFZTMASA-N 2 0 351.800 3.240 20 0 FGADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@H](CC(C)C)C(=O)Nc1nccs1 ZINC000423013209 500331083 /nfs/dbraw/zinc/33/10/83/500331083.db2.gz FKRMKKIGLDGGFD-CZUORRHYSA-N 2 0 361.515 3.009 20 0 FGADRP C[C@@H]1C[NH+](CCOc2ccc(CC[NH2+][C@@H]3CC[NH2+]CC[C@H]3C)cc2)C[C@H]1C ZINC000423019163 500331441 /nfs/dbraw/zinc/33/14/41/500331441.db2.gz UHLKEWFKEZGZGY-GLHSZLCASA-N 3 0 373.585 3.173 20 0 FGADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]CCc1csc(-c2ccc(Cl)cc2)n1 ZINC000423017887 500331664 /nfs/dbraw/zinc/33/16/64/500331664.db2.gz XGHRLUXELGQEAW-ZLIFDBKOSA-N 2 0 365.930 3.348 20 0 FGADRP COc1cc(Br)ccc1CCC[NH2+][C@@H]1CC[NH2+]CC[C@H]1C ZINC000423028388 500333116 /nfs/dbraw/zinc/33/31/16/500333116.db2.gz GJFFUIHOTXMZGT-CZUORRHYSA-N 2 0 355.320 3.368 20 0 FGADRP Cc1cc(Br)cn2cc(CC[NH2+][C@@H]3CCCC[C@@H]3C[NH3+])nc12 ZINC000423035430 500333237 /nfs/dbraw/zinc/33/32/37/500333237.db2.gz JKIFVSLJRVDURN-CZUORRHYSA-N 2 0 365.319 3.055 20 0 FGADRP C[C@H](CCCC[NH3+])[NH2+][C@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O ZINC000423037401 500333801 /nfs/dbraw/zinc/33/38/01/500333801.db2.gz BMORLMHTDRKAOM-PBHICJAKSA-N 2 0 371.447 3.304 20 0 FGADRP Fc1cccc(NCCC[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000423035580 500333906 /nfs/dbraw/zinc/33/39/06/500333906.db2.gz RWSADXRKFVQDJW-PZJWPPBQSA-N 2 0 355.457 3.473 20 0 FGADRP COC[C@H](CCC[NH3+])[NH2+]Cc1nc2c(s1)C[C@@H](c1ccccc1)CC2 ZINC000423043845 500334418 /nfs/dbraw/zinc/33/44/18/500334418.db2.gz ACXFOOOXOWICJZ-IRXDYDNUSA-N 2 0 359.539 3.259 20 0 FGADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C[C@@H]1CSCCN1Cc1ccccc1 ZINC000423074613 500338480 /nfs/dbraw/zinc/33/84/80/500338480.db2.gz MIIHZXBHFSYYES-OXQOHEQNSA-N 2 0 370.566 3.117 20 0 FGADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]C[C@]1(Cc2ccc(F)cc2)CCC[C@H]1O ZINC000423073791 500338755 /nfs/dbraw/zinc/33/87/55/500338755.db2.gz JWAFDKKQVHIDRP-AIZKBTNYSA-N 2 0 370.512 3.448 20 0 FGADRP C[C@@H]([NH3+])[C@H](Cc1ccccc1)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000423083421 500340120 /nfs/dbraw/zinc/34/01/20/500340120.db2.gz GAGIVXUMKTUGFK-UJPJLTBQSA-N 2 0 369.475 3.340 20 0 FGADRP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000423147833 500348734 /nfs/dbraw/zinc/34/87/34/500348734.db2.gz SWJOVDBMUUDHKJ-DOTOQJQBSA-N 2 0 372.962 3.404 20 0 FGADRP Cc1cc(C[NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)ccc1Br ZINC000423163042 500349669 /nfs/dbraw/zinc/34/96/69/500349669.db2.gz MGYVOIDTWHGFFW-BHYGNILZSA-N 2 0 353.304 3.004 20 0 FGADRP CCOC(=O)C1([C@H](C)[NH2+]C2(Cc3cccc(Cl)c3)CC2)CC[NH2+]CC1 ZINC000423162746 500349726 /nfs/dbraw/zinc/34/97/26/500349726.db2.gz PXAVQTUECOGBHF-HNNXBMFYSA-N 2 0 364.917 3.326 20 0 FGADRP C[C@H]([NH2+]CC[C@H]1CC[NH2+]C1)c1ccc(OC[C@H]2CCCCO2)c(F)c1 ZINC000423250524 500358818 /nfs/dbraw/zinc/35/88/18/500358818.db2.gz QMSGGMZCIMHSSU-LZLYRXPVSA-N 2 0 350.478 3.424 20 0 FGADRP CC[C@H]([NH2+]Cc1ccc([C@@H](C)[NH3+])cc1)c1ccccc1OCC(=O)N(C)C ZINC000423293390 500362034 /nfs/dbraw/zinc/36/20/34/500362034.db2.gz RETMEJBPMNJLMW-UZLBHIALSA-N 2 0 369.509 3.414 20 0 FGADRP Brc1cc(Br)c2c(c1)[C@@H]([NH2+]CC1C[NH2+]C1)CCC2 ZINC000423312198 500363543 /nfs/dbraw/zinc/36/35/43/500363543.db2.gz CUAUXCKCQLQDMG-AWEZNQCLSA-N 2 0 374.120 3.398 20 0 FGADRP COCC[NH2+]CCN[C@@H]1c2cc(Br)ccc2SC[C@@H]1C ZINC000423319553 500363646 /nfs/dbraw/zinc/36/36/46/500363646.db2.gz CMOXJFKADJSMGF-NHYWBVRUSA-N 2 0 359.333 3.058 20 0 FGADRP C[C@@H]([NH3+])c1ccc(C(=O)NC2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000423325458 500364462 /nfs/dbraw/zinc/36/44/62/500364462.db2.gz ISYMZEQQHZIKEX-QGZVFWFLSA-N 2 0 351.494 3.143 20 0 FGADRP C[NH2+]CCc1ccccc1C(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000423353492 500366653 /nfs/dbraw/zinc/36/66/53/500366653.db2.gz DJYNPNLSYRGWAL-OALUTQOASA-N 2 0 357.542 3.175 20 0 FGADRP C[C@H]([NH3+])c1ccc(C(=O)N2CC[N@H+](Cc3ccccc3)C(C)(C)C2)cc1 ZINC000423382215 500369047 /nfs/dbraw/zinc/36/90/47/500369047.db2.gz ODGHZPZFZBQBGA-KRWDZBQOSA-N 2 0 351.494 3.443 20 0 FGADRP C[C@H]([NH3+])c1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000423387642 500369823 /nfs/dbraw/zinc/36/98/23/500369823.db2.gz SSKABVRWLWIXHG-LLGFUMIMSA-N 2 0 351.494 3.489 20 0 FGADRP COCC1(C[NH2+][C@H]2CCCc3cc(Br)ccc32)CC[NH2+]CC1 ZINC000423398604 500370598 /nfs/dbraw/zinc/37/05/98/500370598.db2.gz DDSMIIAEBQZOSL-KRWDZBQOSA-N 2 0 367.331 3.432 20 0 FGADRP C[C@H](CCc1ccc(I)cc1)[NH2+][C@@H]1CC[NH2+]C[C@@H]1C ZINC000423406316 500370805 /nfs/dbraw/zinc/37/08/05/500370805.db2.gz UPRHEQZPHRLJFK-WOSRLPQWSA-N 2 0 372.294 3.200 20 0 FGADRP C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]Cc1cccc2c1CCCN2 ZINC000423408590 500371614 /nfs/dbraw/zinc/37/16/14/500371614.db2.gz ALHPGXHKIKTHBS-UTKZUKDTSA-N 2 0 350.510 3.440 20 0 FGADRP COCC1(C[NH2+][C@@H]2CCc3c2ccc(F)c3Br)CC[NH2+]CC1 ZINC000423407677 500371665 /nfs/dbraw/zinc/37/16/65/500371665.db2.gz MXULOERICMBUMP-OAHLLOKOSA-N 2 0 371.294 3.181 20 0 FGADRP COc1cc(C)c(C[C@H](C)[NH2+]C[C@H]2NCCc3ccccc32)cc1OC ZINC000423444571 500375546 /nfs/dbraw/zinc/37/55/46/500375546.db2.gz XXONOCZOTOIFJG-OXJNMPFZSA-N 2 0 354.494 3.420 20 0 FGADRP C[C@H]([NH3+])c1ccc(C(=O)N2CC[C@H](C)[N@H+](Cc3ccccc3)CC2)cc1 ZINC000423444163 500375594 /nfs/dbraw/zinc/37/55/94/500375594.db2.gz WMOPCAOCUGTMFN-ROUUACIJSA-N 2 0 351.494 3.443 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)C[C@@H]2CCC[NH2+]CC2)cc1 ZINC000427274794 500377030 /nfs/dbraw/zinc/37/70/30/500377030.db2.gz NROGTGJLDUIEBF-RTBURBONSA-N 2 0 357.542 3.457 20 0 FGADRP Fc1ccc([C@@H]2CC[NH2+]C[C@@H]2C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)cc1 ZINC000423479275 500377188 /nfs/dbraw/zinc/37/71/88/500377188.db2.gz UXPPDFBEEGQCHN-OBJCFNGXSA-N 2 0 358.501 3.456 20 0 FGADRP CCN(C(=O)C[C@@H]1CCC[NH2+]CC1)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000427288521 500377970 /nfs/dbraw/zinc/37/79/70/500377970.db2.gz PVKSPORJSFDMQV-SFHLNBCPSA-N 2 0 357.542 3.450 20 0 FGADRP CC1(C)[C@H](Oc2ccccc2)C[C@@H]1[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000423510316 500380516 /nfs/dbraw/zinc/38/05/16/500380516.db2.gz NLFOMOSLNOBHES-RRIIRSAJSA-N 2 0 357.542 3.039 20 0 FGADRP C[C@@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)c1ccc(Br)cc1 ZINC000423507962 500380701 /nfs/dbraw/zinc/38/07/01/500380701.db2.gz KGDXGDOMDDTBNK-RWBZWWBESA-N 2 0 366.347 3.316 20 0 FGADRP CC(=O)NCCc1ccc([C@@H](C)[NH2+][C@H](CCC[NH3+])c2ccccc2)cc1 ZINC000423512496 500381372 /nfs/dbraw/zinc/38/13/72/500381372.db2.gz USSQNQALQMQGJX-VGOFRKELSA-N 2 0 353.510 3.496 20 0 FGADRP C[C@@H]([NH2+]CCC[NH2+]C1CC1)c1ccc(F)c(I)c1 ZINC000423563810 500385086 /nfs/dbraw/zinc/38/50/86/500385086.db2.gz RLAVJXVFLGSGJP-SNVBAGLBSA-N 2 0 362.230 3.223 20 0 FGADRP Cc1ccccc1NC(=O)C[C@H](C)[NH2+]CC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000423529600 500382930 /nfs/dbraw/zinc/38/29/30/500382930.db2.gz PZHGEWOEIHAKFZ-MBAXHRRTSA-N 2 0 355.526 3.455 20 0 FGADRP [NH3+]C[C@H](Cc1ccccc1)[C@H]1CCCCN1C(=O)c1ccc2c[nH+]cn2c1 ZINC000423619392 500389850 /nfs/dbraw/zinc/38/98/50/500389850.db2.gz YINNXYCOANEPOR-PZJWPPBQSA-N 2 0 362.477 3.147 20 0 FGADRP C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)N[C@@H]2CC[NH2+]CC2(C)C)c1 ZINC000423749098 500399007 /nfs/dbraw/zinc/39/90/07/500399007.db2.gz SFBFGIKAQDIXDP-OAQYLSRUSA-N 2 0 365.521 3.437 20 0 FGADRP C[C@@H](C(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1)[C@H]([NH3+])c1ccccc1 ZINC000423770153 500400278 /nfs/dbraw/zinc/40/02/78/500400278.db2.gz ZMLUPWVJEVQILZ-UZLBHIALSA-N 2 0 357.473 3.052 20 0 FGADRP CC[C@H]1CN(C(=O)C[C@@H]([NH3+])c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000423826030 500406426 /nfs/dbraw/zinc/40/64/26/500406426.db2.gz OBIUGWOBPQVWRP-LEWJYISDSA-N 2 0 351.494 3.200 20 0 FGADRP C[C@H](NC(=O)[C@@H]1CCCCCC[C@H]1[NH3+])[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423862237 500413555 /nfs/dbraw/zinc/41/35/55/500413555.db2.gz FUDPBXUTJJCGJZ-OYNPSCLESA-N 2 0 357.542 3.311 20 0 FGADRP C[N@@H+]1CCCC[C@@H]1CCC(=O)NC[C@H]1CCC[NH+](Cc2cccs2)C1 ZINC000431779982 500423857 /nfs/dbraw/zinc/42/38/57/500423857.db2.gz WBRLTKGGCGIANK-QZTJIDSGSA-N 2 0 363.571 3.341 20 0 FGADRP C[C@@H]1C[C@H](NC(=O)CC[C@@H]2CCCC[NH+]2C)CC[N@@H+]1Cc1ccccc1 ZINC000431852271 500434682 /nfs/dbraw/zinc/43/46/82/500434682.db2.gz VVDSOTOBIUUVCC-NRSPTQNISA-N 2 0 357.542 3.420 20 0 FGADRP COc1ccc([C@@H](C[NH3+])C[N@H+](C)[C@H](C)c2ccc(-n3cncn3)cc2)cc1 ZINC000420317652 500440914 /nfs/dbraw/zinc/44/09/14/500440914.db2.gz NPBXXBIWCZDQCS-APWZRJJASA-N 2 0 365.481 3.011 20 0 FGADRP O=C(c1cccc(C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1)N1CCCCC1 ZINC000420324176 500441818 /nfs/dbraw/zinc/44/18/18/500441818.db2.gz GWVLTTJEYZNXKJ-LEWJYISDSA-N 2 0 355.526 3.134 20 0 FGADRP CCOc1ccccc1[C@@H](CC)NC(=O)C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000420334616 500442935 /nfs/dbraw/zinc/44/29/35/500442935.db2.gz JMLSLHAZDYXIOZ-UXHICEINSA-N 2 0 373.541 3.117 20 0 FGADRP Cc1cc(F)ccc1N1CCC[C@H]([NH+]2CCC([C@H]3CCC[NH2+]3)CC2)C1=O ZINC000420334235 500443602 /nfs/dbraw/zinc/44/36/02/500443602.db2.gz IWPSSFLECLXOLE-QUCCMNQESA-N 2 0 359.489 3.094 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)CC[C@H]1CCCC[N@@H+]1C)Cc1ccccc1 ZINC000431926187 500444185 /nfs/dbraw/zinc/44/41/85/500444185.db2.gz VJIUXNURPYEVIT-NHCUHLMSSA-N 2 0 359.558 3.320 20 0 FGADRP CC(C)C[C@@H](NC(=O)C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1)c1ccccc1 ZINC000420344821 500445229 /nfs/dbraw/zinc/44/52/29/500445229.db2.gz USNVSMAGTGMPDG-LEWJYISDSA-N 2 0 357.542 3.354 20 0 FGADRP CCCC[NH+]1CCC(NC(=O)N[C@@H]2CCCC[C@H]2C[NH+](CC)CC)CC1 ZINC000431953939 500447649 /nfs/dbraw/zinc/44/76/49/500447649.db2.gz OMTZETXCDXCRGK-AZUAARDMSA-N 2 0 366.594 3.451 20 0 FGADRP Cc1ccc(-c2cnc(C[NH+]3CCC([C@H]4OCCC[C@H]4[NH3+])CC3)o2)cc1 ZINC000420389717 500453802 /nfs/dbraw/zinc/45/38/02/500453802.db2.gz YMUIZBVCFFLQII-WIYYLYMNSA-N 2 0 355.482 3.368 20 0 FGADRP COc1ccc([C@H](C[NH3+])C[NH2+][C@@H](c2ccc3c(c2)OCCO3)C2CC2)cc1 ZINC000420412099 500457508 /nfs/dbraw/zinc/45/75/08/500457508.db2.gz SBTHXRJAZKSNKB-XMSQKQJNSA-N 2 0 368.477 3.250 20 0 FGADRP CC(C)C[C@@H](NC(=O)C[N@@H+]1CC2(C[C@H]1C)CC[NH2+]CC2)c1ccccc1 ZINC000424285630 500480958 /nfs/dbraw/zinc/48/09/58/500480958.db2.gz GCSLYFNKESSYBX-UYAOXDASSA-N 2 0 357.542 3.354 20 0 FGADRP CC(C)C[C@@H](NC(=O)C[N@@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2)c1ccccc1 ZINC000424285615 500480989 /nfs/dbraw/zinc/48/09/89/500480989.db2.gz GCSLYFNKESSYBX-AZUAARDMSA-N 2 0 357.542 3.354 20 0 FGADRP C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)C[N@@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424284220 500481075 /nfs/dbraw/zinc/48/10/75/500481075.db2.gz DCWQSOAKKUMYRV-MOPGFXCFSA-N 2 0 369.553 3.278 20 0 FGADRP C[C@H]1CC2(C[N@@H+]1CCC(=O)Nc1cccc(C(F)(F)F)c1)CC[NH2+]CC2 ZINC000424285182 500481267 /nfs/dbraw/zinc/48/12/67/500481267.db2.gz FLWDPFWLQIBFJT-AWEZNQCLSA-N 2 0 369.431 3.498 20 0 FGADRP C[C@@H]1CC2(C[N@@H+]1CCOc1ccccc1Br)CC[NH2+]CC2 ZINC000424292140 500482422 /nfs/dbraw/zinc/48/24/22/500482422.db2.gz OFUAEGZOXDIKSZ-CQSZACIVSA-N 2 0 353.304 3.292 20 0 FGADRP C[C@@H]1CC2(C[N@@H+]1Cc1cc3c(c(Br)c1)OCO3)CC[NH2+]CC2 ZINC000424292907 500482579 /nfs/dbraw/zinc/48/25/79/500482579.db2.gz ORZBXMARVZDHQP-GFCCVEGCSA-N 2 0 367.287 3.142 20 0 FGADRP C[C@@H]1CC2(C[N@@H+]1CCC(=O)N[C@@H]1CCCc3ccccc31)CC[NH2+]CC2 ZINC000424301163 500483160 /nfs/dbraw/zinc/48/31/60/500483160.db2.gz XHHLCPNPYQRNCE-YLJYHZDGSA-N 2 0 355.526 3.034 20 0 FGADRP C[C@@H]1[C@@H](NC(=O)N(C)CC[C@@H]2CCCC[NH+]2C)CC[N@@H+]1Cc1ccccc1 ZINC000576612352 506198327 /nfs/dbraw/zinc/19/83/27/506198327.db2.gz JOXXKBGDTKYQDM-GIVPXCGWSA-N 2 0 372.557 3.165 20 0 FGADRP O[C@H](C[NH2+][C@@H]1CCCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)COCC1CC1 ZINC000428244218 500486732 /nfs/dbraw/zinc/48/67/32/500486732.db2.gz XWZMXPFEQAJYSW-WBADGQHESA-N 2 0 372.553 3.054 20 0 FGADRP [NH3+][C@@H]1CCCC[C@H]1[NH2+]CCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000424328849 500487413 /nfs/dbraw/zinc/48/74/13/500487413.db2.gz FXPJIXKALFOWFD-WOJBJXKFSA-N 2 0 351.494 3.142 20 0 FGADRP CO[C@H]1C[C@H]2C[C@@H]([NH2+]Cc3ccc(OC4CC[NH+](C)CC4)cc3)C[C@H]2C1 ZINC000424345224 500489656 /nfs/dbraw/zinc/48/96/56/500489656.db2.gz HVZKJMWTPQFPNJ-NTAIKFDKSA-N 2 0 358.526 3.453 20 0 FGADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N(C)C[C@@H]2CCC[NH+]2C)cc1 ZINC000420776445 500498206 /nfs/dbraw/zinc/49/82/06/500498206.db2.gz FTBMQRJJZKXFQJ-RXVVDRJESA-N 2 0 372.557 3.297 20 0 FGADRP COc1cc2[nH+]ccc(N3CC[C@H]4C[NH2+]C[C@@H]4C3)c2cc1Br ZINC000424407884 500498885 /nfs/dbraw/zinc/49/88/85/500498885.db2.gz CRHCPBAKHQTSOK-NWDGAFQWSA-N 2 0 362.271 3.052 20 0 FGADRP O=C(Nc1ccc2c(c1)C[NH2+]C2)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000424419626 500500382 /nfs/dbraw/zinc/50/03/82/500500382.db2.gz SFAGSFSLLRJXHY-GHTZIAJQSA-N 2 0 362.477 3.028 20 0 FGADRP Cc1cc(C[NH3+])cc(NC(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)c1 ZINC000424445745 500506712 /nfs/dbraw/zinc/50/67/12/500506712.db2.gz PBUGXZFGEFTGJM-FQEVSTJZSA-N 2 0 352.482 3.412 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N[C@@H]2CCCC[C@H]2[NH3+])cc1 ZINC000424452517 500507887 /nfs/dbraw/zinc/50/78/87/500507887.db2.gz HWTBKIYDTYOAAG-NSISKUIASA-N 2 0 358.530 3.130 20 0 FGADRP CN(C/C=C/c1ccc(F)cc1)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000428432757 500509266 /nfs/dbraw/zinc/50/92/66/500509266.db2.gz RAUWEEFKDIHQDS-PABBZOGXSA-N 2 0 354.469 3.408 20 0 FGADRP CC1CCN(Cc2csc(NC(=O)CN3CC[C@H]4CCC[C@H]43)n2)CC1 ZINC000428432509 500509643 /nfs/dbraw/zinc/50/96/43/500509643.db2.gz ZGDPPSQYQXTPJF-NVXWUHKLSA-N 2 0 362.543 3.188 20 0 FGADRP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)CC1(C)C ZINC000420856052 500516420 /nfs/dbraw/zinc/51/64/20/500516420.db2.gz CHFAXSOYKVTFOL-VQTJNVASSA-N 2 0 372.557 3.023 20 0 FGADRP CC[NH+]1CCC(N2CCC[N@@H+]([C@@H](C)c3nc4ccccc4o3)CC2)CC1 ZINC000420985856 500548458 /nfs/dbraw/zinc/54/84/58/500548458.db2.gz WZPIJJXUURLPNH-KRWDZBQOSA-N 2 0 356.514 3.381 20 0 FGADRP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+]2CC[C@H](C(C)C)C2)CC1 ZINC000432833224 500574071 /nfs/dbraw/zinc/57/40/71/500574071.db2.gz VPZJWONVLYTUJV-IBGZPJMESA-N 2 0 357.542 3.054 20 0 FGADRP OC[C@H](Cc1ccccc1)[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000437076623 500599516 /nfs/dbraw/zinc/59/95/16/500599516.db2.gz VPYIKTINHZBOTH-NAVOZUGXSA-N 2 0 364.533 3.480 20 0 FGADRP C[NH+](C)Cc1ccsc1C(=O)NC[C@H](c1ccco1)N1CCCCC1 ZINC000447431847 500605011 /nfs/dbraw/zinc/60/50/11/500605011.db2.gz QBICSAYPFNFBCS-MRXNPFEDSA-N 2 0 361.511 3.360 20 0 FGADRP C[C@H]1CSc2ccc(Br)cc2[C@@H]1[NH2+]CCOCC[NH+](C)C ZINC000447597710 500632184 /nfs/dbraw/zinc/63/21/84/500632184.db2.gz GKJFYCGSCYXQIU-BLLLJJGKSA-N 2 0 373.360 3.400 20 0 FGADRP [NH3+]C1CC[NH+](CCCC(=O)N[C@H](Cc2ccccc2)c2ccccc2)CC1 ZINC000433129066 500632275 /nfs/dbraw/zinc/63/22/75/500632275.db2.gz YEZOVYOLOJWYLL-JOCHJYFZSA-N 2 0 365.521 3.290 20 0 FGADRP CCCN(Cc1c(F)cccc1Cl)C(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433136222 500633021 /nfs/dbraw/zinc/63/30/21/500633021.db2.gz WUDBYBFEERRUJU-UHFFFAOYSA-N 2 0 369.912 3.421 20 0 FGADRP Cc1ccc(OC(F)F)c([C@H](C)[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)c1 ZINC000442878876 500638417 /nfs/dbraw/zinc/63/84/17/500638417.db2.gz VOXIXCYLJKHNEM-HNNXBMFYSA-N 2 0 355.473 3.273 20 0 FGADRP C[N@@H+]1CCN(CC[NH2+][C@@H]2CCc3cc(Br)ccc32)CC1(C)C ZINC000442876973 500639005 /nfs/dbraw/zinc/63/90/05/500639005.db2.gz QFSZRCQEOBFMCL-QGZVFWFLSA-N 2 0 366.347 3.052 20 0 FGADRP [NH3+]C1CC[NH+](CCCC(=O)N2CCC[C@@]3(CCCc4ccccc43)C2)CC1 ZINC000433177879 500639950 /nfs/dbraw/zinc/63/99/50/500639950.db2.gz RANMKUOTNLXYHZ-QHCPKHFHSA-N 2 0 369.553 3.086 20 0 FGADRP CCC[NH+]1CCN(c2ccccc2C[NH2+]CC2(CO)CC3(CCC3)C2)CC1 ZINC000433202727 500647149 /nfs/dbraw/zinc/64/71/49/500647149.db2.gz SVSJXNQUGGTOCH-UHFFFAOYSA-N 2 0 371.569 3.251 20 0 FGADRP C[C@H](C(=O)NC(c1ccccc1)c1ccccc1)[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443054794 500669727 /nfs/dbraw/zinc/66/97/27/500669727.db2.gz AEOWYGDTVSUUBV-RTBURBONSA-N 2 0 365.521 3.342 20 0 FGADRP C[C@@H](NC(=O)C[N@@H+]1CCC[C@H](CC[NH3+])C1)c1ccc(Cl)cc1Cl ZINC000443072490 500674195 /nfs/dbraw/zinc/67/41/95/500674195.db2.gz NOBGTMINJIRYQL-CHWSQXEVSA-N 2 0 358.313 3.231 20 0 FGADRP C[C@@H](NC(=O)C[N@@H+]1CCC[C@@H](CC[NH3+])C1)c1ccc(Cl)cc1Cl ZINC000443072491 500674547 /nfs/dbraw/zinc/67/45/47/500674547.db2.gz NOBGTMINJIRYQL-OLZOCXBDSA-N 2 0 358.313 3.231 20 0 FGADRP C[C@@H]1CCN(C(=O)c2ccccc2C[NH+](C)C)CC[N@@H+]1Cc1ccccc1 ZINC000433367980 500682006 /nfs/dbraw/zinc/68/20/06/500682006.db2.gz RVZTWROLJBDRDG-LJQANCHMSA-N 2 0 365.521 3.485 20 0 FGADRP CN(c1ccccc1C[NH2+]C[C@H]1N(C)CCCC1(C)C)C1CC[NH+](C)CC1 ZINC000447900367 500688676 /nfs/dbraw/zinc/68/86/76/500688676.db2.gz BQPDKHNTYPRTQD-JOCHJYFZSA-N 2 0 372.601 3.427 20 0 FGADRP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)NC[C@H]1[NH+](C)CCCC1(C)C ZINC000447982217 500701370 /nfs/dbraw/zinc/70/13/70/500701370.db2.gz JJWBSPPPHYOIHF-ZWKOTPCHSA-N 2 0 352.567 3.061 20 0 FGADRP O=C(NC[C@@H]1CCCC[N@@H+]1C1CC1)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000433564526 500713201 /nfs/dbraw/zinc/71/32/01/500713201.db2.gz PXPGBGNGQXIQSN-SFTDATJTSA-N 2 0 370.541 3.140 20 0 FGADRP CC[NH+](CC)CCOC1CC[NH+](Cc2c[nH]nc2-c2ccsc2)CC1 ZINC000438102371 500738446 /nfs/dbraw/zinc/73/84/46/500738446.db2.gz VRYIERMEESACBX-UHFFFAOYSA-N 2 0 362.543 3.461 20 0 FGADRP Cc1ccc2nc(C[NH+]3CCC(CCC[NH+]4CCCC4)CC3)cc(=O)n2c1 ZINC000443597271 500743213 /nfs/dbraw/zinc/74/32/13/500743213.db2.gz CNWCHIYXWHUOQP-UHFFFAOYSA-N 2 0 368.525 3.091 20 0 FGADRP CC(C)[NH+]1CCC([N@H+](C)C[C@@H](O)Cc2ccccc2C(F)(F)F)CC1 ZINC000443628974 500747384 /nfs/dbraw/zinc/74/73/84/500747384.db2.gz GQJZPORTNLXWQM-KRWDZBQOSA-N 2 0 358.448 3.413 20 0 FGADRP CCc1ccc([C@H](CNC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)[NH+](C)C)cc1 ZINC000443652708 500750059 /nfs/dbraw/zinc/75/00/59/500750059.db2.gz LOIWOMPWEFNUJQ-LPHOPBHVSA-N 2 0 362.562 3.127 20 0 FGADRP C[C@H](NC(=O)N(C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1)C(C)(C)C[NH+](C)C ZINC000443678814 500754618 /nfs/dbraw/zinc/75/46/18/500754618.db2.gz DIZWNERTNDYYSU-AZUAARDMSA-N 2 0 374.573 3.269 20 0 FGADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)c2ccc(Nc3cc[nH+]cc3)cc2)C1 ZINC000448424801 500759896 /nfs/dbraw/zinc/75/98/96/500759896.db2.gz LFNPBKGJDCZRLX-GOSISDBHSA-N 2 0 366.509 3.345 20 0 FGADRP CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000438970637 500842424 /nfs/dbraw/zinc/84/24/24/500842424.db2.gz FLLXLHGYRONVLF-ROUUACIJSA-N 2 0 366.575 3.161 20 0 FGADRP O=C(NC[C@@H]1CCCC[NH+]1C1CC1)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000434446356 500844100 /nfs/dbraw/zinc/84/41/00/500844100.db2.gz TVBIEHITMSBLCS-NQIIRXRSSA-N 2 0 373.516 3.171 20 0 FGADRP C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)NC2(C)CC[NH2+]CC2)c1 ZINC000434676668 500877940 /nfs/dbraw/zinc/87/79/40/500877940.db2.gz SCOYBQPCUZBXFR-UHFFFAOYSA-N 2 0 351.494 3.191 20 0 FGADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2cn(C)nc2-c2ccc(F)cc2)C1 ZINC000449037461 500907253 /nfs/dbraw/zinc/90/72/53/500907253.db2.gz NIDUIXBYPRHZTG-HXUWFJFHSA-N 2 0 374.504 3.159 20 0 FGADRP COc1cccc2c(C[N@@H+]3CC[C@@H](N4CC[NH+](C)CC4)[C@@H](C)C3)cccc12 ZINC000449036098 500907591 /nfs/dbraw/zinc/90/75/91/500907591.db2.gz ITDSQXBZDHQPNQ-PGRDOPGGSA-N 2 0 367.537 3.306 20 0 FGADRP CCN(CC)C(=O)[C@H](C)[NH2+]Cc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000439596821 500917365 /nfs/dbraw/zinc/91/73/65/500917365.db2.gz OJARSVLYTZDYDJ-KRWDZBQOSA-N 2 0 357.498 3.258 20 0 FGADRP CCN1CC[NH+](CCCC[NH2+]Cc2cc(F)cc(Br)c2)CC1 ZINC000449080180 500919152 /nfs/dbraw/zinc/91/91/52/500919152.db2.gz TYMCILVFCOWSLZ-UHFFFAOYSA-N 2 0 372.326 3.096 20 0 FGADRP CCN(CC)C(=O)CCC[NH2+]C1CC[NH+]([C@H](C)Cc2ccccc2)CC1 ZINC000449082306 500919965 /nfs/dbraw/zinc/91/99/65/500919965.db2.gz MHLQGYFQSDENTB-LJQANCHMSA-N 2 0 359.558 3.320 20 0 FGADRP COCC[N@@H+]1CCC[C@H]1CNC1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449114696 500928340 /nfs/dbraw/zinc/92/83/40/500928340.db2.gz DQGLEKAJMMRREW-IBGZPJMESA-N 2 0 353.595 3.366 20 0 FGADRP CC1CC[NH+](C[C@@H](O)CNC2CC[NH+](C(C)(C)CC(C)(C)C)CC2)CC1 ZINC000449123704 500930317 /nfs/dbraw/zinc/93/03/17/500930317.db2.gz OHTXGMMZHRKSOR-FQEVSTJZSA-N 2 0 367.622 3.348 20 0 FGADRP CN(C)CC[NH+]1CCC(C[NH2+]Cc2cc(Cl)sc2Cl)CC1 ZINC000449132138 500931926 /nfs/dbraw/zinc/93/19/26/500931926.db2.gz SDVUVETUBIQLEB-UHFFFAOYSA-N 2 0 350.359 3.418 20 0 FGADRP NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+][C@H]2CC[C@@H](c3ccc(Cl)cc3)C2)C1 ZINC000449134129 500932382 /nfs/dbraw/zinc/93/23/82/500932382.db2.gz HCKWGUKNUXZBNY-LMMKCTJWSA-N 2 0 363.933 3.153 20 0 FGADRP C[C@@H]1C[C@@H]([NH2+]Cc2cc(C(F)(F)F)ccc2N2CC[NH+](C)CC2)[C@H](C)O1 ZINC000449155098 500936396 /nfs/dbraw/zinc/93/63/96/500936396.db2.gz OYUMRQRWHBNJAQ-JKIFEVAISA-N 2 0 371.447 3.113 20 0 FGADRP CC(C)(C)NC(=O)C[NH+]1CCC(C[NH2+]Cc2cccc3ccoc32)CC1 ZINC000449172100 500940159 /nfs/dbraw/zinc/94/01/59/500940159.db2.gz BLPBDBMYVZWEPE-UHFFFAOYSA-N 2 0 357.498 3.149 20 0 FGADRP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+][C@@H](CCO)C2CCOCC2)CC1 ZINC000449244698 500955668 /nfs/dbraw/zinc/95/56/68/500955668.db2.gz VEESJKMVSAXDIQ-IBGZPJMESA-N 2 0 354.579 3.433 20 0 FGADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1cnc(CCc2ccccc2)s1 ZINC000449247573 500956481 /nfs/dbraw/zinc/95/64/81/500956481.db2.gz GPWZAQYOJDQCLX-GOSISDBHSA-N 2 0 372.582 3.044 20 0 FGADRP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3cc4ccccc4nc3N3CCCCC3)C[C@H]12 ZINC000435379310 500963780 /nfs/dbraw/zinc/96/37/80/500963780.db2.gz LZMXTPUUJGYJNO-YZGWKJHDSA-N 2 0 350.510 3.394 20 0 FGADRP Cc1nn(-c2ccc(Br)cc2)c(C)c1CN1CCC[NH2+]CC1 ZINC000435386764 500964776 /nfs/dbraw/zinc/96/47/76/500964776.db2.gz YFNSFWUKMJGFHW-UHFFFAOYSA-N 2 0 363.303 3.047 20 0 FGADRP COc1ccc(Cn2nc(C)c(C[N@@H+]3C[C@@H]4CCC[C@H]([NH3+])[C@H]4C3)c2C)cc1 ZINC000435385437 500964921 /nfs/dbraw/zinc/96/49/21/500964921.db2.gz QBZKQTJJEGJGDR-NYVOZVTQSA-N 2 0 368.525 3.116 20 0 FGADRP COc1ccc(C[N@H+](C)CC[C@H]([NH3+])C(C)C)cc1OCc1cccnc1 ZINC000435384285 500965223 /nfs/dbraw/zinc/96/52/23/500965223.db2.gz LLLVFTLKBNFYKR-IBGZPJMESA-N 2 0 357.498 3.474 20 0 FGADRP C[C@H]([NH3+])[C@H]1CCC[N@H+](Cc2cn(-c3ccccc3)nc2-c2ccncc2)C1 ZINC000435387047 500966260 /nfs/dbraw/zinc/96/62/60/500966260.db2.gz WPKBWLTWZDYLFZ-HKUYNNGSSA-N 2 0 361.493 3.494 20 0 FGADRP [NH3+]C[C@H]1CCC[N@H+](Cc2cn(Cc3ccccc3)nc2-c2cccnc2)C1 ZINC000435392677 500966787 /nfs/dbraw/zinc/96/67/87/500966787.db2.gz HIMHKHMYYHALGZ-LJQANCHMSA-N 2 0 361.493 3.164 20 0 FGADRP Cc1cccn2cc(COc3ccc(C[N@@H+]4CCC[C@@H](C[NH3+])C4)cc3)nc12 ZINC000435394195 500967233 /nfs/dbraw/zinc/96/72/33/500967233.db2.gz MZSKHOXTQOMALH-IBGZPJMESA-N 2 0 364.493 3.392 20 0 FGADRP CCn1ccnc1C[N@H+](C[C@@H](C)CC1CCOCC1)[C@H]1CC12CC[NH2+]CC2 ZINC000435425251 500972894 /nfs/dbraw/zinc/97/28/94/500972894.db2.gz YIMFFLUKKAQTOO-ICSRJNTNSA-N 2 0 374.573 3.300 20 0 FGADRP Cc1cccc(C[NH+]2CCC(OCCN3C[C@H](C)O[C@@H](C)C3)CC2)c1F ZINC000449325638 500977509 /nfs/dbraw/zinc/97/75/09/500977509.db2.gz OHEZDGQRGWTHQP-ROUUACIJSA-N 2 0 364.505 3.224 20 0 FGADRP COc1cc(C[N@@H+]2CCN(C3CC[NH+](C)CC3)[C@H](C)C2)cc2ccccc21 ZINC000449325156 500977706 /nfs/dbraw/zinc/97/77/06/500977706.db2.gz KJCDYUPLHKSMIL-GOSISDBHSA-N 2 0 367.537 3.449 20 0 FGADRP CC(C)COc1ccccc1C[NH+]1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC000449326495 500978430 /nfs/dbraw/zinc/97/84/30/500978430.db2.gz WOQXAPHLQGPEBD-UHFFFAOYSA-N 2 0 359.558 3.181 20 0 FGADRP C[C@@H](CCNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)[NH+](C)Cc1ccccc1 ZINC000440272024 500993168 /nfs/dbraw/zinc/99/31/68/500993168.db2.gz TVMINCPKRFQLFF-RXVVDRJESA-N 2 0 357.542 3.420 20 0 FGADRP C[NH+](C)CCOc1ccccc1C[NH2+]Cc1cnc(-c2ccncc2)s1 ZINC000440335345 500998836 /nfs/dbraw/zinc/99/88/36/500998836.db2.gz FCQNGVQSFPAZPS-UHFFFAOYSA-N 2 0 368.506 3.435 20 0 FGADRP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCc3nc(-c4ccc(F)cc4F)cn3C2)[C@H](C)C1 ZINC000449547587 501029542 /nfs/dbraw/zinc/02/95/42/501029542.db2.gz IXBKFLRCUNGAEW-OGWOLHLISA-N 2 0 374.479 3.463 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)NCC2([NH+](C)C)CCC2)cc1 ZINC000445842808 501039976 /nfs/dbraw/zinc/03/99/76/501039976.db2.gz MWNMHWFAGLOWAY-GOSISDBHSA-N 2 0 372.557 3.345 20 0 FGADRP C[NH+](C)CCCOc1ccc(C[NH2+]Cc2cc(C(F)(F)F)n[nH]2)cc1 ZINC000440805932 501050222 /nfs/dbraw/zinc/05/02/22/501050222.db2.gz KRTTWTGBJQRRQP-UHFFFAOYSA-N 2 0 356.392 3.049 20 0 FGADRP O=C(C[NH2+]C1(c2ccccc2)CCCCC1)NC1CC[NH+](C2CC2)CC1 ZINC000440927872 501064620 /nfs/dbraw/zinc/06/46/20/501064620.db2.gz MGEXPOZYSUJMMZ-UHFFFAOYSA-N 2 0 355.526 3.179 20 0 FGADRP CN(CC1CC[NH+](C)CC1)C(=O)NCC[NH+]1CCC2(CCCCC2)CC1 ZINC000441042318 501079234 /nfs/dbraw/zinc/07/92/34/501079234.db2.gz QGXRYOAVYLQRLM-UHFFFAOYSA-N 2 0 364.578 3.016 20 0 FGADRP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@H](CCCc3ccccc3)C2)CC1 ZINC000441185145 501099854 /nfs/dbraw/zinc/09/98/54/501099854.db2.gz YQWPFDHJGUPTJY-NRFANRHFSA-N 2 0 371.569 3.322 20 0 FGADRP CC1(C)CCc2ccccc2[C@H]([NH2+]CCCC[NH+]2CCN(CCO)CC2)C1 ZINC000436288221 501102210 /nfs/dbraw/zinc/10/22/10/501102210.db2.gz DUBUEXDNYZZNLS-JOCHJYFZSA-N 2 0 373.585 3.070 20 0 FGADRP O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)[C@@H]1C[NH2+]Cc2ccccc21 ZINC000582466766 506237184 /nfs/dbraw/zinc/23/71/84/506237184.db2.gz MDVYWTBGUOUFAB-JOCHJYFZSA-N 2 0 363.505 3.176 20 0 FGADRP Cc1cc(O)c(C(C)C)cc1C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000436569988 501159696 /nfs/dbraw/zinc/15/96/96/501159696.db2.gz LCOOOFFIRUAMCV-UHFFFAOYSA-N 2 0 363.546 3.170 20 0 FGADRP CC[NH+](CC)CCOc1ccccc1NC(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000607721813 506237405 /nfs/dbraw/zinc/23/74/05/506237405.db2.gz VDAPBCUJGQUSAS-DLBZAZTESA-N 2 0 362.518 3.011 20 0 FGADRP CCC[NH+]1CCN(c2ccccc2C[NH2+]CC2CC[NH+](C3CC3)CC2)CC1 ZINC000446883848 501176653 /nfs/dbraw/zinc/17/66/53/501176653.db2.gz KHYGVZKRCHDBHR-UHFFFAOYSA-N 3 0 370.585 3.183 20 0 FGADRP Cc1cc(N2CCC[C@H]([NH2+]C3CC[NH+]([C@@H]4CCCC[C@H]4C)CC3)C2)n(C)n1 ZINC000446920534 501181320 /nfs/dbraw/zinc/18/13/20/501181320.db2.gz MNLKJOCNZGPDGR-JRGCBEDISA-N 2 0 373.589 3.330 20 0 FGADRP CC(C)Oc1ccc2[nH+]ccc(N3CCC([N@@H+](C)C[C@@H](C)O)CC3)c2c1 ZINC000450319467 501232980 /nfs/dbraw/zinc/23/29/80/501232980.db2.gz LVRQLZDHLBBKTI-MRXNPFEDSA-N 2 0 357.498 3.303 20 0 FGADRP O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC000451323651 501264940 /nfs/dbraw/zinc/26/49/40/501264940.db2.gz VXADTMBIYQJPLW-UNMCSNQZSA-N 2 0 369.553 3.422 20 0 FGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H](C)c2cc(-c3ccccc3)nn2C)CC1 ZINC000453103307 501269629 /nfs/dbraw/zinc/26/96/29/501269629.db2.gz BWTZPIHQVNOYCM-MOPGFXCFSA-N 2 0 369.557 3.011 20 0 FGADRP COc1ccc2c(c1)C[C@@H]([NH2+]Cc1ccc(OCCC[NH+](C)C)cc1)CO2 ZINC000453108439 501271122 /nfs/dbraw/zinc/27/11/22/501271122.db2.gz NTYKJXJBOMQHLQ-LJQANCHMSA-N 2 0 370.493 3.119 20 0 FGADRP CCC[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1)C1CCC1 ZINC000453108009 501271216 /nfs/dbraw/zinc/27/12/16/501271216.db2.gz JZKDOEKQBDLUQQ-RTWAWAEBSA-N 2 0 357.542 3.442 20 0 FGADRP C[C@H]([NH2+]CCCOC1CC[NH+](Cc2ccccc2)CC1)c1ccncn1 ZINC000453138412 501276867 /nfs/dbraw/zinc/27/68/67/501276867.db2.gz RANNDVXQTBAGJV-SFHVURJKSA-N 2 0 354.498 3.199 20 0 FGADRP CCC(=O)N1CC[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)C1 ZINC000453153530 501280524 /nfs/dbraw/zinc/28/05/24/501280524.db2.gz VFPKNHGVKDDFBW-BQJUDKOJSA-N 2 0 355.526 3.030 20 0 FGADRP C[C@](O)(C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21)C(F)(F)F ZINC000453165134 501282713 /nfs/dbraw/zinc/28/27/13/501282713.db2.gz AYWSDXRCCICYDY-BDXSIMOUSA-N 2 0 356.432 3.333 20 0 FGADRP CCn1cccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)c1=O ZINC000453208530 501291889 /nfs/dbraw/zinc/29/18/89/501291889.db2.gz BYLUZACOOSBVIP-BDTNDASRSA-N 2 0 365.521 3.401 20 0 FGADRP COC(=O)[C@H]1CC[C@@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)C1 ZINC000453218854 501293220 /nfs/dbraw/zinc/29/32/20/501293220.db2.gz NUUCYZQLIJQSQK-LUYSREMJSA-N 2 0 356.510 3.361 20 0 FGADRP OC[C@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@H]21)c1cccnc1 ZINC000453234374 501295680 /nfs/dbraw/zinc/29/56/80/501295680.db2.gz SGHYOGRHIVUWHO-GPJHCHHRSA-N 2 0 365.521 3.190 20 0 FGADRP CC(C)(C)CC(C)(C)[NH+]1CCN(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000457800924 501311704 /nfs/dbraw/zinc/31/17/04/501311704.db2.gz XXEGZOGKPHUUPI-QZTJIDSGSA-N 2 0 364.578 3.155 20 0 FGADRP CO[C@@H]1COCC[C@@H]1C[NH2+][C@@H]1CCCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000453316727 501313953 /nfs/dbraw/zinc/31/39/53/501313953.db2.gz JXRDZWHOIQOYDD-BMXMUORJSA-N 2 0 372.553 3.318 20 0 FGADRP CC(=O)N1CCCN(C[C@H]2CCC[N@@H+]([C@H](C)c3cccc(C)c3)C2)CC1 ZINC000451534224 501314919 /nfs/dbraw/zinc/31/49/19/501314919.db2.gz NEGYMYVBTICQGI-TZIWHRDSSA-N 2 0 357.542 3.322 20 0 FGADRP Cn1nncc1C[N@@H+]1CCCCC[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000453597254 501357520 /nfs/dbraw/zinc/35/75/20/501357520.db2.gz LEWJAVAYGABTEB-QFIPXVFZSA-N 2 0 367.541 3.472 20 0 FGADRP C[S@@](=O)C1(C[NH2+]C[C@]2(C(C)(C)C)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000602656239 506248414 /nfs/dbraw/zinc/24/84/14/506248414.db2.gz NKVODTHHBGUKGJ-CJFMBICVSA-N 2 0 362.583 3.426 20 0 FGADRP C[NH+](C)CCCC(C)(C)NC(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000458093794 501370993 /nfs/dbraw/zinc/37/09/93/501370993.db2.gz QNJLWMGFJGKIOA-HXUWFJFHSA-N 2 0 374.573 3.461 20 0 FGADRP C[N@@H+]1CCC[C@H](CCNC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000458236645 501400777 /nfs/dbraw/zinc/40/07/77/501400777.db2.gz YVLHIPWSUPMLJM-HXUWFJFHSA-N 2 0 357.542 3.137 20 0 FGADRP C[NH+](C)CCOc1ccc(NC(=O)c2ccccc2C[NH+](C)C)cc1F ZINC000458273189 501408344 /nfs/dbraw/zinc/40/83/44/501408344.db2.gz AIPDRCJASCUYOJ-UHFFFAOYSA-N 2 0 359.445 3.080 20 0 FGADRP C[NH+](C)[C@@H]1CCc2cc(NC(=O)N3CC[C@@H]([NH+]4CCCCC4)C3)ccc21 ZINC000455892908 501408842 /nfs/dbraw/zinc/40/88/42/501408842.db2.gz CACJDNGJLCSOSU-UYAOXDASSA-N 2 0 356.514 3.328 20 0 FGADRP C[NH+](C)[C@H]1CCc2cc(NC(=O)N3CCC([NH+]4CCCC4)CC3)ccc21 ZINC000455934033 501419814 /nfs/dbraw/zinc/41/98/14/501419814.db2.gz RDQLVHYMMXMSBT-FQEVSTJZSA-N 2 0 356.514 3.328 20 0 FGADRP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)NCC[C@H](C)[NH+](C)Cc2ccccc2)C1 ZINC000458505987 501461290 /nfs/dbraw/zinc/46/12/90/501461290.db2.gz NGJGPTOUIHSMFP-ICSRJNTNSA-N 2 0 360.546 3.021 20 0 FGADRP Cc1ccccc1C[NH+]1CCC(NC(=O)NCCCC[N@@H+](C)C2CC2)CC1 ZINC000454320012 501512690 /nfs/dbraw/zinc/51/26/90/501512690.db2.gz LGWCFZGSBLATSY-UHFFFAOYSA-N 2 0 372.557 3.133 20 0 FGADRP CC[N@H+](CCNC(=O)NCc1ccccc1C[NH+]1CCC[C@H](C)C1)C(C)C ZINC000588276245 506257602 /nfs/dbraw/zinc/25/76/02/506257602.db2.gz MXEOKLAOUGGWIF-IBGZPJMESA-N 2 0 374.573 3.448 20 0 FGADRP CCn1ccnc1[C@@H](C)NC(=O)NC[C@@H](c1ccc(C)o1)[NH+]1CCCC1 ZINC000454420494 501540344 /nfs/dbraw/zinc/54/03/44/501540344.db2.gz DJIUGBXYLCRFOD-CVEARBPZSA-N 2 0 359.474 3.002 20 0 FGADRP CC(C)(C)OC(=O)c1ccc(C[NH2+]C2CCN([C@@H]3CCOC3)CC2)s1 ZINC000598985842 506262139 /nfs/dbraw/zinc/26/21/39/506262139.db2.gz AKIDWKZWFCUKHL-OAHLLOKOSA-N 2 0 366.527 3.046 20 0 FGADRP CC1CC[NH+](C[C@@H]2CCCN(C(=O)NCCCC[N@H+](C)C3CC3)C2)CC1 ZINC000459157115 501605471 /nfs/dbraw/zinc/60/54/71/501605471.db2.gz MDFPXUAUEDTKCZ-IBGZPJMESA-N 2 0 364.578 3.014 20 0 FGADRP CCN1CCN(C(=O)CC2CC[NH+](Cc3ccc(C4CC4)cc3)CC2)CC1 ZINC000459334936 501633389 /nfs/dbraw/zinc/63/33/89/501633389.db2.gz MOIARSMIJKWCFY-UHFFFAOYSA-N 2 0 369.553 3.330 20 0 FGADRP COc1cc([C@@H](C)[NH2+]C2CCN(c3cc[nH+]cc3)CC2)cc(OC)c1OC ZINC000459371034 501641138 /nfs/dbraw/zinc/64/11/38/501641138.db2.gz HXQHKAFLLFQBNU-OAHLLOKOSA-N 2 0 371.481 3.427 20 0 FGADRP CC(C)(C[NH+]1CCCC1)NC(=O)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000457058075 501642784 /nfs/dbraw/zinc/64/27/84/501642784.db2.gz VNYDHGOMHCSDCP-SFHVURJKSA-N 2 0 361.505 3.028 20 0 FGADRP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000457078025 501645792 /nfs/dbraw/zinc/64/57/92/501645792.db2.gz AHZYVEIMWADLNK-FQEVSTJZSA-N 2 0 357.542 3.230 20 0 FGADRP C[NH+](C)CCNC(=O)c1ccc(C[NH2+]Cc2ccc(C3CC3)cc2)cc1 ZINC000459455842 501656917 /nfs/dbraw/zinc/65/69/17/501656917.db2.gz FCPQHMWDSCANGX-UHFFFAOYSA-N 2 0 351.494 3.145 20 0 FGADRP Cc1cc(C)c(CNC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)cn1 ZINC000454960845 501662253 /nfs/dbraw/zinc/66/22/53/501662253.db2.gz MLFVZIIXJKQQPC-XLIONFOSSA-N 2 0 352.482 3.161 20 0 FGADRP CCO[C@@H]1C[C@@H]([NH2+]C2CCN(c3cc[nH+]cc3)CC2)[C@@H]1Oc1ccccc1 ZINC000459497260 501663976 /nfs/dbraw/zinc/66/39/76/501663976.db2.gz IYHZIJDXKHYKSM-VSKRKVRLSA-N 2 0 367.493 3.265 20 0 FGADRP C[N@@H+]1CCC[C@H](CC[NH2+]Cc2cn(-c3ccc(Cl)cc3Cl)nn2)C1 ZINC000459722429 501704024 /nfs/dbraw/zinc/70/40/24/501704024.db2.gz BIFPAKIZUCXZQD-CYBMUJFWSA-N 2 0 368.312 3.396 20 0 FGADRP Cc1nn(-c2cc[nH+]cc2)cc1CN(CC[NH+](C)C)Cc1ccsc1 ZINC000459730991 501705568 /nfs/dbraw/zinc/70/55/68/501705568.db2.gz CJTHVIZWYANCNZ-UHFFFAOYSA-N 2 0 355.511 3.201 20 0 FGADRP CO[C@@H]1C[NH+](Cc2ccccc2C[N@@H+]2CC[C@H](C)[C@H](OC)C2)CC[C@H]1C ZINC000467289163 501759865 /nfs/dbraw/zinc/75/98/65/501759865.db2.gz MCBDRGZJGUPVBR-GMQQQROESA-N 2 0 360.542 3.400 20 0 FGADRP C[NH+](C)CC1(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)CCCCC1 ZINC000460285991 501780610 /nfs/dbraw/zinc/78/06/10/501780610.db2.gz FAIARRQDMMXZCN-FQEVSTJZSA-N 2 0 357.542 3.452 20 0 FGADRP CCC[NH+]1CCN(c2ccccc2CN(C)CCC[NH+]2CCCC2)CC1 ZINC000467515895 501813999 /nfs/dbraw/zinc/81/39/99/501813999.db2.gz BRTAKFDIEGDLNL-UHFFFAOYSA-N 2 0 358.574 3.136 20 0 FGADRP COc1ccc(Cl)cc1C1(C[NH2+][C@@H]2CC[N@H+](C)C[C@@H]2C)CCOCC1 ZINC000481557321 501814066 /nfs/dbraw/zinc/81/40/66/501814066.db2.gz ABDMHSDFPPGOFG-MAUKXSAKSA-N 2 0 366.933 3.327 20 0 FGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]C[C@H]2CCO[C@@H]2c2ccccc2)[C@H](C)C1 ZINC000477926196 501830622 /nfs/dbraw/zinc/83/06/22/501830622.db2.gz KNSFOGLUZZYYDY-ZHHKINOHSA-N 2 0 360.542 3.491 20 0 FGADRP CC(C)(C)NC(=O)C[NH+]1CCC(C[NH2+][C@H](c2cccnc2)C2CCC2)CC1 ZINC000481645913 501840047 /nfs/dbraw/zinc/84/00/47/501840047.db2.gz XCSWEUHUSFKYLR-NRFANRHFSA-N 2 0 372.557 3.139 20 0 FGADRP C[NH+](C)CC1(C(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)CCCCC1 ZINC000460511041 501844470 /nfs/dbraw/zinc/84/44/70/501844470.db2.gz SYHYWGYIGZULHY-FQEVSTJZSA-N 2 0 357.542 3.452 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@@H]1CCCC[NH+](Cc2ccccc2)C1 ZINC000460520464 501847597 /nfs/dbraw/zinc/84/75/97/501847597.db2.gz ISDHUACJDLUNMT-LEWJYISDSA-N 2 0 372.557 3.072 20 0 FGADRP CC(C)n1nccc1C[NH2+]Cc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000474615205 501894715 /nfs/dbraw/zinc/89/47/15/501894715.db2.gz PNVWRLSAKPVWGQ-HDICACEKSA-N 2 0 356.514 3.363 20 0 FGADRP C[C@@H](Cc1ccccc1C(F)(F)F)[NH2+]CCCC[N@@H+]1CCC[C@H]1CO ZINC000481926728 501921327 /nfs/dbraw/zinc/92/13/27/501921327.db2.gz WPBXXRPHCGNJOX-RDJZCZTQSA-N 2 0 358.448 3.463 20 0 FGADRP C[C@H](c1ccc(Cl)cc1)[C@H](C)[NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000474708482 501928311 /nfs/dbraw/zinc/92/83/11/501928311.db2.gz LNQKXKORLHODNE-ZOBUZTSGSA-N 2 0 351.922 3.009 20 0 FGADRP CC[NH+](CC)[C@H](C)CNC(=O)Nc1nc(CN2CCC[C@@H](C)C2)cs1 ZINC000471127857 501929530 /nfs/dbraw/zinc/92/95/30/501929530.db2.gz TUFDDSSTWCGAQS-HUUCEWRRSA-N 2 0 367.563 3.227 20 0 FGADRP C[C@H]1C[C@@H](NC(=O)N(CC[NH+](C)C)C2CCCC2)C[N@@H+]1Cc1ccccc1 ZINC000468018674 501931388 /nfs/dbraw/zinc/93/13/88/501931388.db2.gz ACBYEWGZGNPFRS-AZUAARDMSA-N 2 0 372.557 3.165 20 0 FGADRP CC[NH+]1CCC(N(C)Cc2nc3ccc(Br)cc3n2C)CC1 ZINC000485847739 501960246 /nfs/dbraw/zinc/96/02/46/501960246.db2.gz VFDQOHIGGBAEDF-UHFFFAOYSA-N 2 0 365.319 3.252 20 0 FGADRP CC[NH+](CC)[C@H](C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1)c1ccccc1 ZINC000464352762 501963735 /nfs/dbraw/zinc/96/37/35/501963735.db2.gz CYOXGCKCMLTPAC-RTWAWAEBSA-N 2 0 357.542 3.450 20 0 FGADRP CC(C)[N@@H+](C)C[C@H](C)NC(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000460952067 501968159 /nfs/dbraw/zinc/96/81/59/501968159.db2.gz ZIXKWCNUCCXTNU-VIQWUECVSA-N 2 0 352.567 3.057 20 0 FGADRP CCN(C(=O)CC1CC[NH+](C)CC1)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000485883485 501974823 /nfs/dbraw/zinc/97/48/23/501974823.db2.gz NXOWYILBFBATHR-WIYYLYMNSA-N 2 0 357.542 3.402 20 0 FGADRP CCN(C(=O)CC1CC[NH+](C)CC1)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000485883484 501975576 /nfs/dbraw/zinc/97/55/76/501975576.db2.gz NXOWYILBFBATHR-RXVVDRJESA-N 2 0 357.542 3.402 20 0 FGADRP COCCN1CCC[C@@H]1C[NH2+][C@@H]1CCc2c1cc(Br)cc2F ZINC000482240163 502016017 /nfs/dbraw/zinc/01/60/17/502016017.db2.gz CEGNQSLZMQHSCR-CXAGYDPISA-N 2 0 371.294 3.276 20 0 FGADRP C[NH+](C)[C@H](CNC(=O)C[NH2+]C(C)(C)CCc1ccccc1)c1ccccc1 ZINC000475015444 502021779 /nfs/dbraw/zinc/02/17/79/502021779.db2.gz IFLFMWMPCJJLGM-OAQYLSRUSA-N 2 0 367.537 3.407 20 0 FGADRP C[C@H](C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)c1cc2ccccc2o1 ZINC000482291401 502031537 /nfs/dbraw/zinc/03/15/37/502031537.db2.gz XUBWAPIWQWEQOL-KRWDZBQOSA-N 2 0 359.514 3.268 20 0 FGADRP C[C@H](CC1CCCC1)[NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000468428362 502056820 /nfs/dbraw/zinc/05/68/20/502056820.db2.gz MLJTVGNEVXRXQX-DYESRHJHSA-N 2 0 357.542 3.442 20 0 FGADRP CCCN(CCC[NH+](C)C)C(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000468453888 502062275 /nfs/dbraw/zinc/06/22/75/502062275.db2.gz YUQWMAQEYRBEBE-GOSISDBHSA-N 2 0 364.534 3.180 20 0 FGADRP CC[C@H]([NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1)c1ccc(C)cc1 ZINC000482435919 502066281 /nfs/dbraw/zinc/06/62/81/502066281.db2.gz HOZRGJVLULAMGO-NRFANRHFSA-N 2 0 367.541 3.428 20 0 FGADRP Cc1cc([C@H](C)[NH2+]CCCC[NH+]2CCN(c3ncccn3)CC2)c(C)s1 ZINC000482439161 502067726 /nfs/dbraw/zinc/06/77/26/502067726.db2.gz NZMJDHZLSFUYKI-KRWDZBQOSA-N 2 0 373.570 3.408 20 0 FGADRP CC(C)[C@H]1CC[C@@H](C)C[C@@H]1[NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000482441411 502068775 /nfs/dbraw/zinc/06/87/75/502068775.db2.gz USOPIWVOZLJJSI-NJYVYQBISA-N 2 0 373.589 3.429 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1cc(F)cc(Cl)c1 ZINC000478746937 502074164 /nfs/dbraw/zinc/07/41/64/502074164.db2.gz NBIKFUDFUGVAIW-QGZVFWFLSA-N 2 0 370.900 3.359 20 0 FGADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@H](C)c1ccc(Br)c(F)c1 ZINC000471591930 502078551 /nfs/dbraw/zinc/07/85/51/502078551.db2.gz AZZFIZFACXKEES-ZIAGYGMSSA-N 2 0 372.326 3.265 20 0 FGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]C[C@@H]2CCO[C@@H](C)C2)CC1 ZINC000486199672 502080232 /nfs/dbraw/zinc/08/02/32/502080232.db2.gz PMXKCHJTEHCQBJ-OKZBNKHCSA-N 2 0 363.521 3.433 20 0 FGADRP COc1ccc([C@H]2CCCC[C@H]2[NH2+]CC2CC[NH+](CCO)CC2)cc1F ZINC000482541348 502105380 /nfs/dbraw/zinc/10/53/80/502105380.db2.gz FQASPAHZSZQUPY-UYAOXDASSA-N 2 0 364.505 3.154 20 0 FGADRP C[C@H](C(=O)N1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000461429400 502110981 /nfs/dbraw/zinc/11/09/81/502110981.db2.gz OAKJDMQRUKKGOE-BZEYQNPTSA-N 2 0 369.553 3.228 20 0 FGADRP C[C@H](C(=O)N1C[C@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000461429402 502111277 /nfs/dbraw/zinc/11/12/77/502111277.db2.gz OAKJDMQRUKKGOE-MGFHSNFOSA-N 2 0 369.553 3.228 20 0 FGADRP COC[C@@H](CC(C)C)[NH2+][C@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000482567547 502112339 /nfs/dbraw/zinc/11/23/39/502112339.db2.gz REPXPSFCUNQVSY-SJLPKXTDSA-N 2 0 351.510 3.289 20 0 FGADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)NCC(C)(C)[NH+]2C[C@@H](C)C[C@H](C)C2)C1 ZINC000464953618 502154063 /nfs/dbraw/zinc/15/40/63/502154063.db2.gz PJBJNCQKOBNCFI-GBESFXJTSA-N 2 0 366.594 3.020 20 0 FGADRP C[C@@H](C[NH+]1CCCCCC1)NC(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000482753872 502171128 /nfs/dbraw/zinc/17/11/28/502171128.db2.gz NLKUFMWQYLCZPV-IBGZPJMESA-N 2 0 372.557 3.346 20 0 FGADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)[C@H](C[NH3+])c1ccc(F)cc1 ZINC000479186675 502187530 /nfs/dbraw/zinc/18/75/30/502187530.db2.gz MKVHWAYJENXYRJ-HXUWFJFHSA-N 2 0 357.473 3.025 20 0 FGADRP CCCN(CC[NH+](CC)CC)C(=O)c1ccc(N2CC[NH+](CC)CC2)cc1 ZINC000461743278 502188732 /nfs/dbraw/zinc/18/87/32/502188732.db2.gz UQSJFSYLXYPEEI-UHFFFAOYSA-N 2 0 374.573 3.023 20 0 FGADRP CC[NH+](CC)[C@H](C)CNC(=O)NC1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC000472040020 502207941 /nfs/dbraw/zinc/20/79/41/502207941.db2.gz YCWCSMJSGXYBCZ-GUDVDZBRSA-N 2 0 374.573 3.173 20 0 FGADRP CCN(CCC[NH+]1CCCC1)C(=O)NC[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000472109831 502235429 /nfs/dbraw/zinc/23/54/29/502235429.db2.gz DWBIZZGUBWYEFF-UYAOXDASSA-N 2 0 352.567 3.014 20 0 FGADRP Cc1ccccc1[C@H]([C@@H](C)NC(=O)NCC[NH+]1CCC(C)CC1)[NH+](C)C ZINC000479396649 502245943 /nfs/dbraw/zinc/24/59/43/502245943.db2.gz VTNUFIYMTQLMEJ-QUCCMNQESA-N 2 0 360.546 3.017 20 0 FGADRP C[NH+]1CCC(CC(=O)Nc2ccc(OCC[NH+]3CCCCC3)cc2)CC1 ZINC000486758723 502252026 /nfs/dbraw/zinc/25/20/26/502252026.db2.gz ZJYHPHPVKYCCGI-UHFFFAOYSA-N 2 0 359.514 3.222 20 0 FGADRP C[N@H+](Cc1ccccc1)CC(C)(C)CNc1ccn(C2CC[NH+](C)CC2)n1 ZINC000486800072 502265815 /nfs/dbraw/zinc/26/58/15/502265815.db2.gz RREVMWJBTBLEOO-UHFFFAOYSA-N 2 0 369.557 3.142 20 0 FGADRP CC(C)COC[C@H](O)C[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000475738347 502275095 /nfs/dbraw/zinc/27/50/95/502275095.db2.gz JIWUDLRABQMQMV-FGZHOGPDSA-N 2 0 360.542 3.008 20 0 FGADRP C[NH+](C)Cc1cc(C[NH2+]C2CCN(Cc3ccccn3)CC2)ccc1F ZINC000483120553 502280216 /nfs/dbraw/zinc/28/02/16/502280216.db2.gz OTEAEGNUORIZQO-UHFFFAOYSA-N 2 0 356.489 3.037 20 0 FGADRP C[C@H](NC(=O)NC(C)(C)CC[NH+]1CCCCCC1)C(C)(C)C[NH+](C)C ZINC000483143579 502289021 /nfs/dbraw/zinc/28/90/21/502289021.db2.gz LCSQQGBPYUNNPT-KRWDZBQOSA-N 2 0 354.583 3.307 20 0 FGADRP C[C@@H](NC(=O)NC(C)(C)CC[NH+]1CCCCCC1)C(C)(C)C[NH+](C)C ZINC000483143580 502289904 /nfs/dbraw/zinc/28/99/04/502289904.db2.gz LCSQQGBPYUNNPT-QGZVFWFLSA-N 2 0 354.583 3.307 20 0 FGADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)NC(C)(C)CC[NH+]2CCCCCC2)C1 ZINC000483181036 502304705 /nfs/dbraw/zinc/30/47/05/502304705.db2.gz RNBFGYNDRGRRMR-LJQANCHMSA-N 2 0 366.594 3.308 20 0 FGADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)NC[C@@H](C(CC)CC)[NH+]2CCCC2)C1 ZINC000465563013 502308563 /nfs/dbraw/zinc/30/85/63/502308563.db2.gz FKDGWVPIXKQMRA-QUCCMNQESA-N 2 0 366.594 3.260 20 0 FGADRP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NC[C@H](CC(C)C)[NH+](CC)CC ZINC000465564656 502309030 /nfs/dbraw/zinc/30/90/30/502309030.db2.gz FVCOPFDVJLLUCE-QYZOEREBSA-N 2 0 352.567 3.011 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C)CC(C)C ZINC000465579543 502313966 /nfs/dbraw/zinc/31/39/66/502313966.db2.gz XFPBBRWPESLVEX-AABGKKOBSA-N 2 0 366.594 3.400 20 0 FGADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@@H](C)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000487006372 502329613 /nfs/dbraw/zinc/32/96/13/502329613.db2.gz NFRMUWDOEQPCRT-CEWLAPEOSA-N 2 0 372.557 3.071 20 0 FGADRP C[C@@H](C[NH+](C)C)NC(=O)NCc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000483260060 502331302 /nfs/dbraw/zinc/33/13/02/502331302.db2.gz PXIFPWCTMHHQJZ-KRWDZBQOSA-N 2 0 360.546 3.200 20 0 FGADRP C[NH+](C)Cc1ccccc1C(=O)NC[C@@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000487064046 502346821 /nfs/dbraw/zinc/34/68/21/502346821.db2.gz BMOXYOBKEBWWSO-QFIPXVFZSA-N 2 0 365.521 3.389 20 0 FGADRP CC[NH+](CC)Cc1ccc(CNC(=O)N2CC[N@H+](C)[C@@H](C(C)C)C2)cc1 ZINC000487082199 502352537 /nfs/dbraw/zinc/35/25/37/502352537.db2.gz FWZZOMWXFLKHFG-HXUWFJFHSA-N 2 0 360.546 3.010 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC000465709731 502355685 /nfs/dbraw/zinc/35/56/85/502355685.db2.gz DZBRIPPWCAILED-RTWAWAEBSA-N 2 0 372.557 3.243 20 0 FGADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@H]2CC[NH+]([C@@H](C)c3ccccc3)C2)C1 ZINC000465746202 502368124 /nfs/dbraw/zinc/36/81/24/502368124.db2.gz DWZNMIWRMUSDBZ-ZJOUEHCJSA-N 2 0 372.557 3.195 20 0 FGADRP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N[C@H](C)C[NH+](CC)CC ZINC000465768596 502378823 /nfs/dbraw/zinc/37/88/23/502378823.db2.gz CQMQSEXHWLGAMI-TZIWHRDSSA-N 2 0 374.573 3.270 20 0 FGADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1CCC(C[NH+](C)Cc2ccccc2)CC1 ZINC000469367179 502389389 /nfs/dbraw/zinc/38/93/89/502389389.db2.gz KDEMDXBXZUGKJU-KDURUIRLSA-N 2 0 357.542 3.230 20 0 FGADRP CC[NH+](CC)[C@H]1CCN(C(=O)NC[C@@H](c2ccc(C)cc2)[NH+]2CCCC2)C1 ZINC000465814887 502392750 /nfs/dbraw/zinc/39/27/50/502392750.db2.gz MWAHGCCKIMLPAD-SFTDATJTSA-N 2 0 372.557 3.258 20 0 FGADRP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)N1CC[C@@H](C[NH+](C)CCC)C1 ZINC000465861391 502405893 /nfs/dbraw/zinc/40/58/93/502405893.db2.gz AAPQMYFDXQOCBP-OALUTQOASA-N 2 0 352.567 3.014 20 0 FGADRP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N[C@@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000469434695 502416111 /nfs/dbraw/zinc/41/61/11/502416111.db2.gz SFBDUMWTKQPBQX-NJYVYQBISA-N 2 0 372.557 3.069 20 0 FGADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CC[C@H]([NH+](CC)CC)C2)C1 ZINC000465906561 502423271 /nfs/dbraw/zinc/42/32/71/502423271.db2.gz YIPTUHOAGNBSNE-MSOLQXFVSA-N 2 0 352.567 3.013 20 0 FGADRP C[NH+](C)CCc1ccc(CNC(=O)c2cccc(C[NH+]3CCCC3)c2)cc1 ZINC000469481347 502433527 /nfs/dbraw/zinc/43/35/27/502433527.db2.gz GWVLZJWBZZODLP-UHFFFAOYSA-N 2 0 365.521 3.317 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)[C@H]2CCN2Cc2ccccc2)C1 ZINC000469523061 502451036 /nfs/dbraw/zinc/45/10/36/502451036.db2.gz CNDXDKNIOKNUEF-CEMLEFRQSA-N 2 0 369.553 3.374 20 0 FGADRP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)[C@@H]1CCCC[NH+]1Cc1ccccc1 ZINC000469568877 502466644 /nfs/dbraw/zinc/46/66/44/502466644.db2.gz MYAUXHMDRQCBEP-RTWAWAEBSA-N 2 0 357.542 3.374 20 0 FGADRP CCC(CC)[C@H](CNC(=O)N(C)[C@@H]1CC[N@H+](CC)[C@@H](C)C1)[NH+]1CCCC1 ZINC000483709978 502470796 /nfs/dbraw/zinc/47/07/96/502470796.db2.gz LCYWLBJSHIRRTJ-SXLOBPIMSA-N 2 0 366.594 3.401 20 0 FGADRP CCC[NH+]1CCC(NC(=O)N2CCC[C@H](C[NH+]3CCC(C)CC3)C2)CC1 ZINC000466090736 502475913 /nfs/dbraw/zinc/47/59/13/502475913.db2.gz IAWTUDZEIRFPIE-LJQANCHMSA-N 2 0 364.578 3.014 20 0 FGADRP C[C@@H](CCNC(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1)[NH+](C)Cc1ccccc1 ZINC000473002322 502496105 /nfs/dbraw/zinc/49/61/05/502496105.db2.gz ROOUUNJFOYUDMC-ICSRJNTNSA-N 2 0 372.557 3.213 20 0 FGADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)Nc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000582594247 506316987 /nfs/dbraw/zinc/31/69/87/506316987.db2.gz FIFRSQKSICRXIE-MRXNPFEDSA-N 2 0 358.530 3.354 20 0 FGADRP C[C@H](CCNC(=O)N1CC[NH+](C2CCCC2)CC1)[N@H+](C)Cc1ccccc1 ZINC000473020429 502502536 /nfs/dbraw/zinc/50/25/36/502502536.db2.gz JTQQCNPYDCATMI-LJQANCHMSA-N 2 0 372.557 3.167 20 0 FGADRP C[C@@H]1C[NH+](CC2CC[NH+](CCO[C@@H]3CCCC[C@@H]3C)CC2)C[C@@H](C)O1 ZINC000588709829 506317633 /nfs/dbraw/zinc/31/76/33/506317633.db2.gz DTULDVXGASFGTN-QEUVDIPISA-N 2 0 352.563 3.403 20 0 FGADRP CCC[N@H+](CC)C[C@@H](C)NC(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000462628267 502512767 /nfs/dbraw/zinc/51/27/67/502512767.db2.gz DMFAZGSSJBJUBO-LJQANCHMSA-N 2 0 374.573 3.413 20 0 FGADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(Nc3cc[nH+]cc3)cc2)[C@@H](C)C1 ZINC000469729039 502519272 /nfs/dbraw/zinc/51/92/72/502519272.db2.gz NSNLICIGRGKDLU-OXJNMPFZSA-N 2 0 352.482 3.049 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C/C=C/c1cccc(F)c1 ZINC000487747156 502521121 /nfs/dbraw/zinc/52/11/21/502521121.db2.gz FRCFCQJEBRCCEL-ZGBFETHSSA-N 2 0 361.505 3.104 20 0 FGADRP CN(CC[NH+]1CCCC1)C(=O)NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000462748966 502557062 /nfs/dbraw/zinc/55/70/62/502557062.db2.gz GLKHVJHGBXRDES-OAQYLSRUSA-N 2 0 372.557 3.026 20 0 FGADRP C[C@H](NC(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000487925163 502569645 /nfs/dbraw/zinc/56/96/45/502569645.db2.gz VUXPWAJXQAJZFD-OYNPSCLESA-N 2 0 372.557 3.069 20 0 FGADRP CCC[C@@H]([NH2+]C(C)C)C(=O)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000473347545 502569848 /nfs/dbraw/zinc/56/98/48/502569848.db2.gz RQFGLUGJIROVHU-OAQYLSRUSA-N 2 0 359.558 3.320 20 0 FGADRP C[C@@H](CC(C)(C)c1c[nH]c2ccccc21)[NH2+]C[C@H](C)N1CC[NH+](C)CC1 ZINC000462802712 502581719 /nfs/dbraw/zinc/58/17/19/502581719.db2.gz MKDYHEWJTPCUKJ-ROUUACIJSA-N 2 0 356.558 3.450 20 0 FGADRP CCC[N@H+](C)[C@H](CNC(=O)[C@@H]1C[NH+](C)C[C@H]1C)c1ccc(Cl)cc1 ZINC000487965686 502582575 /nfs/dbraw/zinc/58/25/75/502582575.db2.gz WWBQYHOVNDEQSF-ZTFGCOKTSA-N 2 0 351.922 3.037 20 0 FGADRP CC1CC[NH+](CCC[C@H]([NH2+]C[C@@H]2COCCO2)c2ccc(F)cc2)CC1 ZINC000462817005 502585271 /nfs/dbraw/zinc/58/52/71/502585271.db2.gz NDSKIKQSFDENIZ-RTWAWAEBSA-N 2 0 364.505 3.384 20 0 FGADRP C[NH+]1CCN(Cc2ccc(C[NH2+][C@@H]3CCCc4c(O)cccc43)cc2)CC1 ZINC000462885392 502613135 /nfs/dbraw/zinc/61/31/35/502613135.db2.gz UPHJWAYLPMFFNA-JOCHJYFZSA-N 2 0 365.521 3.307 20 0 FGADRP C[C@H](CNC(=O)N[C@@H](C)[C@H](c1ccccc1)[NH+](C)C)C[NH+]1CCCCC1 ZINC000484284821 502615153 /nfs/dbraw/zinc/61/51/53/502615153.db2.gz PPMQWMGVABXGMA-WSTZPKSXSA-N 2 0 360.546 3.099 20 0 FGADRP CCN(CC[NH+]1CCCCCC1)C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000480597941 502615188 /nfs/dbraw/zinc/61/51/88/502615188.db2.gz ZGDBASZSIXQJEU-UHFFFAOYSA-N 2 0 360.546 3.156 20 0 FGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000473510107 502615524 /nfs/dbraw/zinc/61/55/24/502615524.db2.gz VFPWNFUNSBOAJW-JTHBVZDNSA-N 2 0 369.553 3.376 20 0 FGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000473510106 502615833 /nfs/dbraw/zinc/61/58/33/502615833.db2.gz VFPWNFUNSBOAJW-GMAHTHKFSA-N 2 0 369.553 3.376 20 0 FGADRP CC[C@@H](C)[NH2+][C@H](CNC(=O)NCCC[NH+]1CCC(C)CC1)c1ccco1 ZINC000476907370 502617433 /nfs/dbraw/zinc/61/74/33/502617433.db2.gz PWDFJFPEQFJANE-QZTJIDSGSA-N 2 0 364.534 3.130 20 0 FGADRP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)c1ccc(-n2cnnn2)cc1 ZINC000484307492 502620073 /nfs/dbraw/zinc/62/00/73/502620073.db2.gz LAFKBWHBDXWOAU-XKGZKEIXSA-N 2 0 356.518 3.214 20 0 FGADRP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+][C@H](C)c1ccc(-n2cnnn2)cc1 ZINC000484307318 502620093 /nfs/dbraw/zinc/62/00/93/502620093.db2.gz LAFKBWHBDXWOAU-IMFGXOCKSA-N 2 0 356.518 3.214 20 0 FGADRP CCOc1cc(C[NH+]2CCC([C@H](C)[NH3+])CC2)cc(Br)c1OC ZINC000470000061 502625691 /nfs/dbraw/zinc/62/56/91/502625691.db2.gz OHQSGFXJMCDHEL-LBPRGKRZSA-N 2 0 371.319 3.416 20 0 FGADRP COc1cc(C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)c(SC)cc1OC ZINC000470018045 502632322 /nfs/dbraw/zinc/63/23/22/502632322.db2.gz MNPXTCNLLNBOTM-INIZCTEOSA-N 2 0 350.528 3.390 20 0 FGADRP C[C@H]([NH2+]CCN1CCC([NH+](C)C)CC1)c1ccc(-c2ccncc2)cc1 ZINC000484463714 502646878 /nfs/dbraw/zinc/64/68/78/502646878.db2.gz BBTIMPNEHAJVDJ-SFHVURJKSA-N 2 0 352.526 3.425 20 0 FGADRP CC[NH+]1CCN(CCC[NH2+][C@H](C)c2oc3ccc(OC)cc3c2C)CC1 ZINC000480757283 502663400 /nfs/dbraw/zinc/66/34/00/502663400.db2.gz BATOLHBKTJGQKY-QGZVFWFLSA-N 2 0 359.514 3.428 20 0 FGADRP CC[NH+](CC)CC1CC[NH+]([C@@H](C)C(=O)Nc2cccc(NC(C)=O)c2)CC1 ZINC000488271943 502675529 /nfs/dbraw/zinc/67/55/29/502675529.db2.gz ZGGKITYVXFDDFU-INIZCTEOSA-N 2 0 374.529 3.026 20 0 FGADRP CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)NCc1ccc(CC[NH+](C)C)cc1 ZINC000466806690 502687141 /nfs/dbraw/zinc/68/71/41/502687141.db2.gz NFMOSSMNYVABGE-NRFANRHFSA-N 2 0 374.573 3.100 20 0 FGADRP CCCC[N@H+](CC)Cc1cccc(CNC(=O)N2CCC[NH+](C)CC2)c1 ZINC000473753035 502697101 /nfs/dbraw/zinc/69/71/01/502697101.db2.gz WMKBJPQCOIMHNN-UHFFFAOYSA-N 2 0 360.546 3.156 20 0 FGADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N[C@H]2CC[NH+](C3CCCC3)C2)C1 ZINC000477240814 502715885 /nfs/dbraw/zinc/71/58/85/502715885.db2.gz AGDWQCQAYOORDB-MSOLQXFVSA-N 2 0 364.578 3.203 20 0 FGADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H](CO)Cc2cccc(OC(F)(F)F)c2)[C@H](C)C1 ZINC000470249525 502716883 /nfs/dbraw/zinc/71/68/83/502716883.db2.gz XYLDJNLMLXCJOL-HFTRVMKXSA-N 2 0 374.447 3.056 20 0 FGADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCCC[NH2+]C2CCCCC2)C1 ZINC000477292493 502731982 /nfs/dbraw/zinc/73/19/82/502731982.db2.gz TXPRIKBYRUUMPA-GOSISDBHSA-N 2 0 366.594 3.499 20 0 FGADRP Cc1ccccc1[C@H]([C@H](C)NC(=O)NC1CC[NH+](CC2CC2)CC1)[NH+](C)C ZINC000484772327 502736921 /nfs/dbraw/zinc/73/69/21/502736921.db2.gz PRUBJDWGEFJYEQ-UWJYYQICSA-N 2 0 372.557 3.160 20 0 FGADRP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCC[C@H]([NH+]3CCCC3)C2)C1 ZINC000477339583 502747382 /nfs/dbraw/zinc/74/73/82/502747382.db2.gz QTEMXKPTDDXOCM-OALUTQOASA-N 2 0 364.578 3.157 20 0 FGADRP O=C1CCCCN1CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000463297392 502747785 /nfs/dbraw/zinc/74/77/85/502747785.db2.gz LFMUPMUGBYFKFV-SEJPIABJSA-N 2 0 355.526 3.174 20 0 FGADRP C[N@@H+]1CCC[C@H](CNC(=O)c2ccc3c(c2)C[NH2+]C3)[C@H]1c1cccs1 ZINC000470366029 502751959 /nfs/dbraw/zinc/75/19/59/502751959.db2.gz BGIQVTRBJSTEMK-APWZRJJASA-N 2 0 355.507 3.164 20 0 FGADRP CC[NH+](CC)CCN(Cc1cccs1)C(=O)c1ccc2c(c1)C[NH2+]C2 ZINC000470376788 502755433 /nfs/dbraw/zinc/75/54/33/502755433.db2.gz WGEKKVGOQUFBSR-UHFFFAOYSA-N 2 0 357.523 3.336 20 0 FGADRP CC1CCC(NC(=O)CN[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000481176158 502773109 /nfs/dbraw/zinc/77/31/09/502773109.db2.gz XIJVIRAXKQWCSV-APDGNVHQSA-N 2 0 357.542 3.182 20 0 FGADRP CC[C@H](C)[N@H+](C)CCNC(=O)NC1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000474013677 502778742 /nfs/dbraw/zinc/77/87/42/502778742.db2.gz VLAXVROLSPEAFE-FHWLQOOXSA-N 2 0 374.573 3.173 20 0 FGADRP CCC[N@H+](CC)Cc1ccc(C(=O)N2C[C@@H](SC)[C@@H]([NH+](C)C)C2)cc1 ZINC000495696490 502858452 /nfs/dbraw/zinc/85/84/52/502858452.db2.gz LOLVUNWWEKWYDI-RBUKOAKNSA-N 2 0 363.571 3.036 20 0 FGADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000500823340 502871156 /nfs/dbraw/zinc/87/11/56/502871156.db2.gz AHIOIELRCWCHDR-SFTDATJTSA-N 2 0 372.557 3.387 20 0 FGADRP CC(C)c1nn(-c2ccccc2)cc1CN1CCC([N@@H+](C)C[C@H](C)O)CC1 ZINC000513338950 502908203 /nfs/dbraw/zinc/90/82/03/502908203.db2.gz UHGUIVCUOMWVLQ-SFHVURJKSA-N 2 0 370.541 3.273 20 0 FGADRP CC(C)c1nn(-c2ccccc2)cc1CN1CCC([N@@H+](C)C[C@@H](C)O)CC1 ZINC000513338949 502908790 /nfs/dbraw/zinc/90/87/90/502908790.db2.gz UHGUIVCUOMWVLQ-GOSISDBHSA-N 2 0 370.541 3.273 20 0 FGADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)Cc1ccc2ccccc2c1 ZINC000497385439 502945910 /nfs/dbraw/zinc/94/59/10/502945910.db2.gz JPFZGULXHWBSIJ-UHFFFAOYSA-N 2 0 355.526 3.114 20 0 FGADRP C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2ccc(Nc3cc[nH+]cc3)cc2)C1 ZINC000497400842 502949902 /nfs/dbraw/zinc/94/99/02/502949902.db2.gz JTZLQWONDVPXKM-FCHUYYIVSA-N 2 0 372.472 3.075 20 0 FGADRP C[C@H]1C[C@@H](CC[NH2+]Cc2ccc(C(N)=O)cc2)C[N@@H+]1Cc1ccccc1 ZINC000513493712 502952426 /nfs/dbraw/zinc/95/24/26/502952426.db2.gz CGLMILIYUXBSGB-FXAWDEMLSA-N 2 0 351.494 3.176 20 0 FGADRP C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cccc(C[NH+]3CCCC3)c2)C1 ZINC000497417600 502953743 /nfs/dbraw/zinc/95/37/43/502953743.db2.gz ODNLVOSBJUMSET-FCHUYYIVSA-N 2 0 363.505 3.110 20 0 FGADRP C[C@H](CN1CCCC1=O)[NH2+][C@@H]1CCCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000513683002 502999911 /nfs/dbraw/zinc/99/99/11/502999911.db2.gz DYLNNOUGCSHLKC-PSWRPDDJSA-N 2 0 369.553 3.278 20 0 FGADRP CCO[C@@H](CC[NH+](C)C)C[NH2+]Cc1c(F)ccc(Br)c1F ZINC000501474884 503015756 /nfs/dbraw/zinc/01/57/56/503015756.db2.gz IRVCMESOUZXHAI-NSHDSACASA-N 2 0 365.262 3.174 20 0 FGADRP C/C(=C\c1ccccc1C(F)(F)F)C[NH2+]CCCN1CC[NH+](C)CC1 ZINC000501473479 503016168 /nfs/dbraw/zinc/01/61/68/503016168.db2.gz NYENTWBYZDDFKA-JQIJEIRASA-N 2 0 355.448 3.336 20 0 FGADRP [NH3+]CCCN(CC(=O)Nc1ccccc1C(F)(F)F)CC1CCCC1 ZINC000489764498 503028505 /nfs/dbraw/zinc/02/85/05/503028505.db2.gz GMYLRJSLCLXPIS-UHFFFAOYSA-N 2 0 357.420 3.485 20 0 FGADRP C[NH+](C)CCN(CCCc1ccccc1)C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000489811549 503040748 /nfs/dbraw/zinc/04/07/48/503040748.db2.gz QFINFXBVSAVWCZ-LEWJYISDSA-N 2 0 374.573 3.065 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)C1 ZINC000513900381 503045098 /nfs/dbraw/zinc/04/50/98/503045098.db2.gz WMZFGMQVZCVXES-IYBDPMFKSA-N 2 0 366.594 3.351 20 0 FGADRP CCC1(CNC(=O)NC[C@@H]2CCC[N@@H+]2C)CC[NH+](Cc2ccccc2)CC1 ZINC000514016407 503069836 /nfs/dbraw/zinc/06/98/36/503069836.db2.gz WDAAMOOXWWSMHI-FQEVSTJZSA-N 2 0 372.557 3.072 20 0 FGADRP Cc1ccc(C)c(OC[C@@H](O)C[NH+]2CCC(CCC[NH+](C)C)CC2)c1C ZINC000501785341 503079325 /nfs/dbraw/zinc/07/93/25/503079325.db2.gz KUFPVBUPHDYNAR-NRFANRHFSA-N 2 0 362.558 3.405 20 0 FGADRP CCN(C)[C@@H](C(=O)NC[C@@H](C)[N@@H+]1CCc2ccccc2C1)c1ccccc1 ZINC000489979047 503080602 /nfs/dbraw/zinc/08/06/02/503080602.db2.gz GPSGTEMBCCDBBM-XMSQKQJNSA-N 2 0 365.521 3.242 20 0 FGADRP COc1cccc([C@H](CN[C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)[NH+]2CCCC2)c1 ZINC000514093528 503085393 /nfs/dbraw/zinc/08/53/93/503085393.db2.gz JIAHOHXJAWEGLP-CZYKHXBRSA-N 2 0 357.542 3.295 20 0 FGADRP CC(C)[C@@H](C[NH2+][C@@H](C)CCc1ccc(F)cc1F)N1CC[NH+](C)CC1 ZINC000514101001 503088078 /nfs/dbraw/zinc/08/80/78/503088078.db2.gz YRHHPMYLBIGECK-OXJNMPFZSA-N 2 0 353.501 3.148 20 0 FGADRP CC(C)CN1CCO[C@H](C[NH2+]C2CCC([N@H+](C)Cc3ccccc3)CC2)C1 ZINC000514100579 503088244 /nfs/dbraw/zinc/08/82/44/503088244.db2.gz WSTBOTIUVRKSTA-XPPIMPSXSA-N 2 0 373.585 3.376 20 0 FGADRP Cc1nn(-c2ccc(F)cc2F)c(C)c1CN1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000490092627 503108733 /nfs/dbraw/zinc/10/87/33/503108733.db2.gz WWRQMKNGWPXXMF-FQEVSTJZSA-N 2 0 360.452 3.343 20 0 FGADRP c1cc(C[N@@H+]2CCO[C@@H]3CCC[C@@H]32)ccc1C[NH+]1CCO[C@@H]2CCC[C@@H]21 ZINC000514193699 503109705 /nfs/dbraw/zinc/10/97/05/503109705.db2.gz GYIBUZSNDBSMOR-FNAHDJPLSA-N 2 0 356.510 3.193 20 0 FGADRP C[N@H+](CCNC(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1)C1CCCCC1 ZINC000514205762 503112337 /nfs/dbraw/zinc/11/23/37/503112337.db2.gz GKSOZWYOPCMIRS-NRFANRHFSA-N 2 0 372.557 3.387 20 0 FGADRP C[C@H](NC(=O)NCC[N@H+](C)C1CCCCC1)[C@H](c1ccccc1)[NH+](C)C ZINC000490172697 503122018 /nfs/dbraw/zinc/12/20/18/503122018.db2.gz QCCZVTSGDRTULG-FXAWDEMLSA-N 2 0 360.546 3.242 20 0 FGADRP C[C@H](CNC(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1)[NH+]1CCCC[C@H]1C ZINC000514244957 503124768 /nfs/dbraw/zinc/12/47/68/503124768.db2.gz PPMBDXQPGYZPEK-KZNAEPCWSA-N 2 0 352.567 3.059 20 0 FGADRP [NH3+][C@@H](CC(F)F)C(=O)N1CC[N@H+](Cc2ccccc2)C2(CCCCC2)C1 ZINC000498198171 503128464 /nfs/dbraw/zinc/12/84/64/503128464.db2.gz JXNLTNOLTHUMLS-KRWDZBQOSA-N 2 0 365.468 3.016 20 0 FGADRP CCC[NH+]1CCC(CNC(=O)NC[C@H]([NH2+][C@@H](C)CC)c2ccco2)CC1 ZINC000490219161 503133543 /nfs/dbraw/zinc/13/35/43/503133543.db2.gz WBPUFZWBJHXGLZ-WMZOPIPTSA-N 2 0 364.534 3.130 20 0 FGADRP CC[N@@H+]1C[C@H](C)N(C(=O)NC2CC[NH+](Cc3ccccc3C)CC2)C[C@H]1C ZINC000498229277 503136425 /nfs/dbraw/zinc/13/64/25/503136425.db2.gz VRXWGLINKSZJOO-MOPGFXCFSA-N 2 0 372.557 3.084 20 0 FGADRP CC[NH+](CC)Cc1ccccc1CNC(=O)N1C[C@@H](C)[N@H+](CC)C[C@@H]1C ZINC000498259765 503145510 /nfs/dbraw/zinc/14/55/10/503145510.db2.gz OFGHLSBBNXDUED-MSOLQXFVSA-N 2 0 360.546 3.153 20 0 FGADRP COc1ccc(-c2nc(C[NH+]3CCC(CC[NH3+])CC3)cs2)c(OC)c1 ZINC000514608370 503147961 /nfs/dbraw/zinc/14/79/61/503147961.db2.gz ROPSAOYWNVSFOR-UHFFFAOYSA-N 2 0 361.511 3.388 20 0 FGADRP Cc1cc([C@H](C)NC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)c(C)s1 ZINC000502217230 503164295 /nfs/dbraw/zinc/16/42/95/503164295.db2.gz CTKFSCAVRJAOGP-INIZCTEOSA-N 2 0 368.591 3.341 20 0 FGADRP Cc1cc(OCCC[C@H](C)[NH2+]C[C@H](O)C[NH+]2CCCC2)ccc1Cl ZINC000510724391 503179593 /nfs/dbraw/zinc/17/95/93/503179593.db2.gz XMDVRRMQCKAZGS-IRXDYDNUSA-N 2 0 354.922 3.242 20 0 FGADRP Cc1cc(OCCC[C@@H](C)[NH2+][C@@H](C)CN2CC[NH+](C)CC2)ccc1Cl ZINC000510754039 503185668 /nfs/dbraw/zinc/18/56/68/503185668.db2.gz SNRHLQIAEMZYKZ-MSOLQXFVSA-N 2 0 367.965 3.421 20 0 FGADRP Cc1ccc(-c2nc(CN3CC[C@@H]([NH+]4CCN(C)CC4)[C@@H](C)C3)cs2)o1 ZINC000490651147 503209502 /nfs/dbraw/zinc/20/95/02/503209502.db2.gz RCEPSUODZOCILD-MAUKXSAKSA-N 2 0 374.554 3.169 20 0 FGADRP C[C@H]1C[N@H+](CCOc2cccc(C(C)(C)C)c2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000491020165 503262303 /nfs/dbraw/zinc/26/23/03/503262303.db2.gz NBHRIFJIGSBZDV-SIKLNZKXSA-N 2 0 373.585 3.321 20 0 FGADRP CC[N@H+](CCNC(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCCC1)C1CC1 ZINC000502792690 503273098 /nfs/dbraw/zinc/27/30/98/503273098.db2.gz DSGCUODQIAOVHX-SFHVURJKSA-N 2 0 372.557 3.434 20 0 FGADRP C[C@H](CC[NH+](C)C)NC(=O)NCC1([NH2+][C@H](C)c2ccccc2)CCCC1 ZINC000502796843 503274760 /nfs/dbraw/zinc/27/47/60/503274760.db2.gz BDEFDEBPODPUDM-QZTJIDSGSA-N 2 0 360.546 3.289 20 0 FGADRP CC[NH+](CC)C[C@H](C)NC(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000502811783 503279128 /nfs/dbraw/zinc/27/91/28/503279128.db2.gz CZBXUQCUNYINQM-SFHVURJKSA-N 2 0 360.546 3.023 20 0 FGADRP CC[C@H](CNC(=O)c1ccc(C[NH+](C)C)cc1)[N@@H+]1CCc2ccccc2C1 ZINC000511264859 503290478 /nfs/dbraw/zinc/29/04/78/503290478.db2.gz GYEAMJCNPZMZBI-JOCHJYFZSA-N 2 0 365.521 3.315 20 0 FGADRP O[C@@H]1CC[N@H+](Cc2ccccc2C[NH2+]Cc2ccc3c(c2)CCCC3)C1 ZINC000491293495 503294838 /nfs/dbraw/zinc/29/48/38/503294838.db2.gz FCSKZZOJLFFETD-HSZRJFAPSA-N 2 0 350.506 3.422 20 0 FGADRP CCc1cccnc1[C@@H](C)[NH2+]CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000507461655 503302225 /nfs/dbraw/zinc/30/22/25/503302225.db2.gz MRBHPJYTUOUCOD-LJQANCHMSA-N 2 0 352.526 3.112 20 0 FGADRP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)N1CC[NH+](C)CC[C@@H]1C ZINC000502911204 503305744 /nfs/dbraw/zinc/30/57/44/503305744.db2.gz GCGBXBWOKKGJBP-OALUTQOASA-N 2 0 372.557 3.297 20 0 FGADRP CCc1cccnc1[C@H](C)[NH2+]Cc1ccc(N2CC[NH+](CC)CC2)nc1 ZINC000507505295 503310720 /nfs/dbraw/zinc/31/07/20/503310720.db2.gz DBGYPVYYGGPTDS-KRWDZBQOSA-N 2 0 353.514 3.032 20 0 FGADRP CN1CCO[C@H]([C@H]([NH2+]C2CCC([NH+](C)C)CC2)c2ccc(Cl)cc2)C1 ZINC000515443453 503338511 /nfs/dbraw/zinc/33/85/11/503338511.db2.gz SWRPCLAVDDVSIM-GHBBCFCZSA-N 2 0 365.949 3.174 20 0 FGADRP CC[C@@H](C)[NH2+][C@@H](CNC(=O)NCC(C)(C)C[NH+]1CCCC1)c1ccco1 ZINC000503109557 503348495 /nfs/dbraw/zinc/34/84/95/503348495.db2.gz JSKRRMXLOLLKEJ-SJORKVTESA-N 2 0 364.534 3.130 20 0 FGADRP CCC[N@H+](CC)CCNC(=O)N[C@H]1CC[NH+](Cc2ccccc2)CC1(C)C ZINC000511585472 503348752 /nfs/dbraw/zinc/34/87/52/503348752.db2.gz KXQPNADFHBODDS-FQEVSTJZSA-N 2 0 374.573 3.318 20 0 FGADRP Cc1ccccc1[C@H]([C@H](C)NC(=O)NC[C@H]1CC[N@@H+](CC(C)C)C1)[NH+](C)C ZINC000499200489 503354195 /nfs/dbraw/zinc/35/41/95/503354195.db2.gz BZGIWVHVSMOXHS-ZVDOUQERSA-N 2 0 374.573 3.263 20 0 FGADRP C[NH+](C)CCOCC[NH2+]Cc1ccc(Oc2cc(F)cc(F)c2)cc1 ZINC000499233610 503361356 /nfs/dbraw/zinc/36/13/56/503361356.db2.gz NKSKAJFQNDIENX-UHFFFAOYSA-N 2 0 350.409 3.425 20 0 FGADRP C[C@@H]1C[C@H]([NH2+]Cc2ccc(C(=O)NCC[NH+](C)C)cc2)c2ccccc21 ZINC000582688934 506367257 /nfs/dbraw/zinc/36/72/57/506367257.db2.gz VKWCYGFEDPWCBT-IERDGZPVSA-N 2 0 351.494 3.316 20 0 FGADRP COC(=O)c1cccc(C[NH2+][C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000492510952 503372817 /nfs/dbraw/zinc/37/28/17/503372817.db2.gz AHVKGALECDPWCJ-DYESRHJHSA-N 2 0 352.478 3.473 20 0 FGADRP O=C(NCCC[NH+]1CCCCC1)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000503423261 503406434 /nfs/dbraw/zinc/40/64/34/503406434.db2.gz SETKEYZUSFJVOB-LJQANCHMSA-N 2 0 361.505 3.030 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C1CC1)c1ccccc1Cl ZINC000493233839 503414610 /nfs/dbraw/zinc/41/46/10/503414610.db2.gz FFBKBTLUSWVEQZ-MOPGFXCFSA-N 2 0 363.933 3.466 20 0 FGADRP C[C@@H](C(=O)N1CCC([N@@H+]2CCc3ccccc3C2)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000511920602 503415932 /nfs/dbraw/zinc/41/59/32/503415932.db2.gz XXIHFGMMXJTLLN-QRVBRYPASA-N 2 0 369.553 3.297 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccc(Cl)c(Cl)c1 ZINC000499510602 503421994 /nfs/dbraw/zinc/42/19/94/503421994.db2.gz WXIMCVCZFYXRBJ-OAHLLOKOSA-N 2 0 372.340 3.482 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+]C[C@H](O)COc1ccccc1Cl ZINC000516048191 503436795 /nfs/dbraw/zinc/43/67/95/503436795.db2.gz FKRWVTCGNKCWFW-SJORKVTESA-N 2 0 354.922 3.324 20 0 FGADRP C[C@@H](C(=O)N(CC[N@H+](C)Cc1ccccc1)Cc1ccccc1)[C@H](C)[NH3+] ZINC000493824669 503447861 /nfs/dbraw/zinc/44/78/61/503447861.db2.gz TYQNOLKDQKVPHL-MOPGFXCFSA-N 2 0 353.510 3.131 20 0 FGADRP CCc1ccc(C[NH2+]CCCC[NH+]2CCN(c3ccccc3)CC2)cn1 ZINC000512085379 503454570 /nfs/dbraw/zinc/45/45/70/503454570.db2.gz VIKFMPXKHSOGNV-UHFFFAOYSA-N 2 0 352.526 3.336 20 0 FGADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000499695284 503459595 /nfs/dbraw/zinc/45/95/95/503459595.db2.gz RPZHFHZKXYJJOK-NHCUHLMSSA-N 2 0 357.542 3.279 20 0 FGADRP C[C@@H]1[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000494068577 503482460 /nfs/dbraw/zinc/48/24/60/503482460.db2.gz IPQMOTRXIDFPPZ-UYAOXDASSA-N 2 0 357.542 3.278 20 0 FGADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)CN(CC)Cc2ccccc2Cl)C1 ZINC000499852062 503494716 /nfs/dbraw/zinc/49/47/16/503494716.db2.gz ZLDZNTAHWMNYKD-QGZVFWFLSA-N 2 0 365.949 3.352 20 0 FGADRP C[C@H]([NH2+]Cc1ccc2c(c1)oc(=O)n2C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000512247388 503497704 /nfs/dbraw/zinc/49/77/04/503497704.db2.gz YPKBKVVUYOMAFX-QFBILLFUSA-N 2 0 365.477 3.132 20 0 FGADRP CC(C)[NH+]1CCN(C(=O)NCC[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC000512407566 503539873 /nfs/dbraw/zinc/53/98/73/503539873.db2.gz WMVPTGWQBPVRNQ-TZIWHRDSSA-N 2 0 372.557 3.023 20 0 FGADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+][C@H]1CCN(c2cccc(Br)c2)C1 ZINC000494505070 503553455 /nfs/dbraw/zinc/55/34/55/503553455.db2.gz JFBUONQDZYIWRO-DEICHXMPSA-N 2 0 366.347 3.346 20 0 FGADRP C[C@H](CNC(=O)NCc1cccc(C[NH+]2CCCC2)c1)[N@@H+]1CCCC[C@H]1C ZINC000500103644 503554848 /nfs/dbraw/zinc/55/48/48/503554848.db2.gz KNUBNJLGMXTZEV-RTBURBONSA-N 2 0 372.557 3.345 20 0 FGADRP C[C@H](NC(=O)NC1CCC(C[NH+](C)C)CC1)[C@H](c1ccccc1)[NH+](C)C ZINC000500102865 503554892 /nfs/dbraw/zinc/55/48/92/503554892.db2.gz ANLMSLGIJLHXIV-CLPROHDKSA-N 2 0 360.546 3.097 20 0 FGADRP C[C@H](CNC(=O)NCc1cccc(C[NH+]2CCCC2)c1)[N@@H+]1CCC[C@H](C)C1 ZINC000500102737 503554927 /nfs/dbraw/zinc/55/49/27/503554927.db2.gz FSVVDRBVNAJEMV-RBUKOAKNSA-N 2 0 372.557 3.202 20 0 FGADRP CC[NH+](CC)Cc1cccc(CNC(=O)NCC[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000500130014 503561664 /nfs/dbraw/zinc/56/16/64/503561664.db2.gz BTKJDEUMQJCOON-GOSISDBHSA-N 2 0 360.546 3.060 20 0 FGADRP Cc1cc(C)cc([C@@H](C)NC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)c1 ZINC000504378541 503565222 /nfs/dbraw/zinc/56/52/22/503565222.db2.gz OXWFXUPEZDYOHG-LJQANCHMSA-N 2 0 362.562 3.279 20 0 FGADRP CC[N@@H+]1CCC[C@H](CNC(=O)N[C@H](C)[C@H](c2ccccc2C)[NH+](C)C)C1 ZINC000494604674 503573346 /nfs/dbraw/zinc/57/33/46/503573346.db2.gz YPUWKAVCJAKJLF-QWFCFKBJSA-N 2 0 360.546 3.017 20 0 FGADRP COc1cc(C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)ccn1 ZINC000512614151 503595918 /nfs/dbraw/zinc/59/59/18/503595918.db2.gz UYHJVGNOFFZHKM-PCCBWWKXSA-N 2 0 351.494 3.481 20 0 FGADRP CCc1ccc([C@H](CNC(=O)N2CCC[C@@H](C[NH3+])C2)[NH+](CC)CC)cc1 ZINC000516916965 503618088 /nfs/dbraw/zinc/61/80/88/503618088.db2.gz PZWOLSGUJJFMEL-ICSRJNTNSA-N 2 0 360.546 3.012 20 0 FGADRP CC(C)C[C@@H](C[NH+](C)C)NC(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000504865403 503629005 /nfs/dbraw/zinc/62/90/05/503629005.db2.gz XAOMKKPSTVERRT-ROUUACIJSA-N 2 0 364.534 3.082 20 0 FGADRP CCN(CC[NH+]1CCCCCC1)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000500541730 503644425 /nfs/dbraw/zinc/64/44/25/503644425.db2.gz WVFDZNWWCUSRTA-LEWJYISDSA-N 2 0 372.557 3.339 20 0 FGADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@H](C)c1ccc([S@@](C)=O)cc1 ZINC000543242075 503694661 /nfs/dbraw/zinc/69/46/61/503694661.db2.gz YTPGDAGTCNDXSL-DLUDVSRJSA-N 2 0 354.479 3.164 20 0 FGADRP COc1ccc(Oc2ccc(C[NH2+]CCCN3CC[NH+](C)CC3)cc2)cc1 ZINC000543246882 503697537 /nfs/dbraw/zinc/69/75/37/503697537.db2.gz YIEVTHBSDVWIHX-UHFFFAOYSA-N 2 0 369.509 3.215 20 0 FGADRP CC[C@@H]1CC[C@@H](C)[N@@H+]1CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000536742783 503706621 /nfs/dbraw/zinc/70/66/21/503706621.db2.gz ZOBNGNJRFSSLLX-VQIMIIECSA-N 2 0 361.555 3.437 20 0 FGADRP COc1ccc(C[C@H](C)C[NH+]2CCC(OCC[NH+](C)C)CC2)cc1F ZINC000546311104 503708148 /nfs/dbraw/zinc/70/81/48/503708148.db2.gz XZIZWCWNSIREAD-INIZCTEOSA-N 2 0 352.494 3.056 20 0 FGADRP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@@H+](CC2CC2)C(C)C)CC1 ZINC000533035402 503708824 /nfs/dbraw/zinc/70/88/24/503708824.db2.gz XUAYLSFVKBXMTP-UHFFFAOYSA-N 2 0 357.542 3.150 20 0 FGADRP C[C@H]([NH2+]CCc1ccc(OCC[NH+](C)C)cc1)c1nc2ccccc2n1C ZINC000540301280 503732161 /nfs/dbraw/zinc/73/21/61/503732161.db2.gz GQCTZTUFOVNYFT-KRWDZBQOSA-N 2 0 366.509 3.407 20 0 FGADRP C[C@H]([NH2+]CCc1ccc(OCC[NH+]2C[C@@H](C)[C@H](C)C2)cc1)c1nccn1C ZINC000540394221 503757258 /nfs/dbraw/zinc/75/72/58/503757258.db2.gz JMUGMLJJFUJQQX-QRVBRYPASA-N 2 0 370.541 3.280 20 0 FGADRP Cc1cc([C@@H]([NH2+]C2CCN(CC[NH+](C)C)CC2)c2cccnc2)ccc1F ZINC000543409394 503758199 /nfs/dbraw/zinc/75/81/99/503758199.db2.gz KCOYTWCCNNLMBY-JOCHJYFZSA-N 2 0 370.516 3.234 20 0 FGADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCc1c[nH]c2ccc(Br)cc12 ZINC000543415818 503761164 /nfs/dbraw/zinc/76/11/64/503761164.db2.gz CINLHPUZXTXTJT-WBMJQRKESA-N 2 0 350.304 3.403 20 0 FGADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)NC2CC[NH+](C(C)(C)C)CC2)C1 ZINC000517543706 503766395 /nfs/dbraw/zinc/76/63/95/503766395.db2.gz ZLBUZDUJYAIFEF-YLJYHZDGSA-N 2 0 372.557 3.384 20 0 FGADRP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC[C@H](c2ccsc2)[NH+](C)C)C1 ZINC000517589953 503780103 /nfs/dbraw/zinc/78/01/03/503780103.db2.gz XESIMMARDGEAOW-DOTOQJQBSA-N 2 0 366.575 3.161 20 0 FGADRP C[C@H](CC[N@@H+]1CC[C@H](C(C)(C)C)[C@H](O)C1)[NH+]1CC[C@H](C(C)(C)C)[C@H](O)C1 ZINC000543478266 503788273 /nfs/dbraw/zinc/78/82/73/503788273.db2.gz OMIJRRHNRVCPSG-LCWAXJCOSA-N 2 0 368.606 3.223 20 0 FGADRP CC(C)[N@H+](C)CCCNC(=O)[C@H](C)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000517667750 503802097 /nfs/dbraw/zinc/80/20/97/503802097.db2.gz FXSNFIABTXKZPO-IBGZPJMESA-N 2 0 359.558 3.176 20 0 FGADRP C[C@H]1C[C@@H](C(=O)N[C@@H](C[NH+](C)C)c2ccc(Cl)c(Cl)c2)CC[N@@H+]1C ZINC000530032460 503806163 /nfs/dbraw/zinc/80/61/63/503806163.db2.gz ICGYYVKJVQUFIT-JDFRZJQESA-N 2 0 372.340 3.443 20 0 FGADRP CC(C)[N@@H+](Cc1ccc(NC(=O)[C@@H]2CC[NH+](C)C2)cc1)C[C@@H]1CCCCO1 ZINC000537118638 503808297 /nfs/dbraw/zinc/80/82/97/503808297.db2.gz WNEFAFNNWRLOPJ-CTNGQTDRSA-N 2 0 373.541 3.356 20 0 FGADRP c1cc(OCC[NH+]2CCCC2)ccc1CC[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000540609278 503832436 /nfs/dbraw/zinc/83/24/36/503832436.db2.gz PFYLFSQLDJZQCN-BDTNDASRSA-N 2 0 370.537 3.251 20 0 FGADRP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000543639318 503837546 /nfs/dbraw/zinc/83/75/46/503837546.db2.gz DAZWXDFXMVXVQX-NQIIRXRSSA-N 2 0 372.557 3.023 20 0 FGADRP CCC(CC)[C@H](CNC(=O)N(C)[C@H](C)C1CC[NH+](C)CC1)[NH+]1CCCC1 ZINC000543645187 503839306 /nfs/dbraw/zinc/83/93/06/503839306.db2.gz ZINWNQJSCNBUFC-XLIONFOSSA-N 2 0 366.594 3.259 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)CCN(C)c1cc[nH+]cc1)c1ccccc1 ZINC000543716283 503863574 /nfs/dbraw/zinc/86/35/74/503863574.db2.gz HYHRVVUKZQJLJM-FQEVSTJZSA-N 2 0 354.498 3.107 20 0 FGADRP OC1(C[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)CCC(c2ccccc2)CC1 ZINC000530232084 503885043 /nfs/dbraw/zinc/88/50/43/503885043.db2.gz XGZAMXHBQIEWSS-VWRAKTAISA-N 2 0 372.553 3.166 20 0 FGADRP Cc1ccc(C[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)c(Br)c1 ZINC000530247707 503893166 /nfs/dbraw/zinc/89/31/66/503893166.db2.gz CHYNMEPJQBFCFA-KRWDZBQOSA-N 2 0 367.331 3.348 20 0 FGADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)[C@H]2CCC[NH+]2Cc2ccccc2)C1 ZINC000518031228 503893691 /nfs/dbraw/zinc/89/36/91/503893691.db2.gz YRTXGSKCOQNHMQ-TZIWHRDSSA-N 2 0 357.542 3.279 20 0 FGADRP CC[N@H+](C)Cc1cccc(CNC(=O)NCC[NH+]2[C@H](C)CCC[C@H]2C)c1 ZINC000518103854 503909218 /nfs/dbraw/zinc/90/92/18/503909218.db2.gz KEMANTDYLSDBMW-QZTJIDSGSA-N 2 0 360.546 3.200 20 0 FGADRP CC(C)[N@H+](C)CC1CCN(C(=O)NC[C@]2([NH+](C)C)CCC[C@H](C)C2)CC1 ZINC000518360771 503962491 /nfs/dbraw/zinc/96/24/91/503962491.db2.gz FWKIAMCHOTUKFC-RXVVDRJESA-N 2 0 366.594 3.259 20 0 FGADRP C[N@@H+]1CC[C@H](NC(=O)NC[C@@H]2CC[NH+]2C2CCCCC2)[C@H]1c1ccccc1 ZINC000527829893 503963407 /nfs/dbraw/zinc/96/34/07/503963407.db2.gz CCOUEXUAHVOLJL-PCCBWWKXSA-N 2 0 370.541 3.138 20 0 FGADRP COc1cc(C)c(C[NH+]2CCC(C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)c(C)n1 ZINC000540999324 503970133 /nfs/dbraw/zinc/97/01/33/503970133.db2.gz KVIDBWGACZKLEH-IRXDYDNUSA-N 2 0 361.530 3.028 20 0 FGADRP CCCCOc1ccc(CN2CC[C@@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)cc1 ZINC000537620238 503978781 /nfs/dbraw/zinc/97/87/81/503978781.db2.gz SNQDTLVGQVMWCX-SIKLNZKXSA-N 2 0 359.558 3.323 20 0 FGADRP O[C@@H]1CCC[C@H]1[NH+]1CCC([NH2+][C@H]2CCc3cc(F)c(Cl)cc32)CC1 ZINC000527874794 503981763 /nfs/dbraw/zinc/98/17/63/503981763.db2.gz YOEJNKULPIBWSY-IPMKNSEASA-N 2 0 352.881 3.434 20 0 FGADRP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCCC[NH+]2CCCC[C@@H]2C)C1 ZINC000518460444 503991793 /nfs/dbraw/zinc/99/17/93/503991793.db2.gz DIXSORFAXOJXJX-ROUUACIJSA-N 2 0 352.567 3.061 20 0 FGADRP C[C@@H]1C[NH+](CC2CC[NH+](C[C@H]3CCC4(CCCC4)O3)CC2)C[C@@H](C)O1 ZINC000530516658 503995177 /nfs/dbraw/zinc/99/51/77/503995177.db2.gz GXGORJJQGOZYRO-QWFCFKBJSA-N 2 0 350.547 3.299 20 0 FGADRP CC(C)[NH+]1CCC(NC(=O)C[NH2+][C@@H](C)c2cc3cccc(F)c3o2)CC1 ZINC000518485466 503999101 /nfs/dbraw/zinc/99/91/01/503999101.db2.gz ZRZOQMFOKZVFQO-AWEZNQCLSA-N 2 0 361.461 3.212 20 0 FGADRP CC[NH+](CC)CCCC1CCN(C(=O)N[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000541120851 504016262 /nfs/dbraw/zinc/01/62/62/504016262.db2.gz RGNRQKPRRKDLMR-HKUYNNGSSA-N 2 0 352.567 3.013 20 0 FGADRP C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)CN1CCC2(CCC[N@@H+]2C)CC1 ZINC000544136028 504022299 /nfs/dbraw/zinc/02/22/99/504022299.db2.gz OKQVMRZZFLKCIR-INIZCTEOSA-N 2 0 363.933 3.420 20 0 FGADRP COC(=O)c1ccccc1C[NH+]1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000544144319 504026152 /nfs/dbraw/zinc/02/61/52/504026152.db2.gz RJEPWTLQBVPOIM-QZTJIDSGSA-N 2 0 374.525 3.185 20 0 FGADRP CC[NH+](CC)CCCC1CCN(C(=O)NCC[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000541160017 504026377 /nfs/dbraw/zinc/02/63/77/504026377.db2.gz OKHSYTGYYZKDAE-IBGZPJMESA-N 2 0 366.594 3.262 20 0 FGADRP CC[NH+](CC)CCCC1CCN(C(=O)CCN(C)c2cc[nH+]cc2)CC1 ZINC000541166904 504029294 /nfs/dbraw/zinc/02/92/94/504029294.db2.gz QTQKKDKHTPPCJK-UHFFFAOYSA-N 2 0 360.546 3.269 20 0 FGADRP C[C@H]([NH2+]C[C@@H]1c2ccccc2C(=O)N1C)c1cccc(OCC[NH+](C)C)c1 ZINC000528009640 504037869 /nfs/dbraw/zinc/03/78/69/504037869.db2.gz ZCSSFDYPUBULJX-HRAATJIYSA-N 2 0 367.493 3.105 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H]1c2ccccc2C(=O)N1C ZINC000528008709 504038177 /nfs/dbraw/zinc/03/81/77/504038177.db2.gz XAKAXRMFHXAZAM-YHYVQYDKSA-N 2 0 363.505 3.314 20 0 FGADRP C[NH+](C)CCNC(=O)c1ccc(C[NH2+][C@@H]2CCc3ccc(Cl)cc32)cc1 ZINC000537973481 504099861 /nfs/dbraw/zinc/09/98/61/504099861.db2.gz LQKCNOVCWKEPOE-HXUWFJFHSA-N 2 0 371.912 3.409 20 0 FGADRP C[NH+](C)CCOc1ccc(CC[NH2+][C@@H]2CCC(=O)Nc3ccccc32)cc1 ZINC000544358463 504103041 /nfs/dbraw/zinc/10/30/41/504103041.db2.gz IZWXTRRHMMXYHR-HXUWFJFHSA-N 2 0 367.493 3.233 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCOc2cccc(Cl)c2)[C@H](C)C1 ZINC000537991730 504104578 /nfs/dbraw/zinc/10/45/78/504104578.db2.gz SUDZQKHCVFZFJR-APWZRJJASA-N 2 0 354.922 3.445 20 0 FGADRP C[C@H](OC[C@H](O)C[NH2+]CC1CC[NH+](C2CC2)CC1)c1ccc(Cl)cc1 ZINC000518966138 504104831 /nfs/dbraw/zinc/10/48/31/504104831.db2.gz DKCLVOSJPBCWLA-MGPUTAFESA-N 2 0 366.933 3.243 20 0 FGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC(CC[NH+](CC)CC(C)C)CC1 ZINC000538034233 504119469 /nfs/dbraw/zinc/11/94/69/504119469.db2.gz BWKIHLZTRQSRTB-HXUWFJFHSA-N 2 0 351.579 3.467 20 0 FGADRP CC[N@H+](C)[C@@H](C(=O)NCC[NH+](C)Cc1ccc(F)cc1)c1ccccc1 ZINC000530895673 504122695 /nfs/dbraw/zinc/12/26/95/504122695.db2.gz YDGJEOJSSGZOKO-HXUWFJFHSA-N 2 0 357.473 3.067 20 0 FGADRP C[C@H](C[NH2+][C@@H](CN1CC[NH+](C)CC1)c1ccccc1)Cc1ccccc1 ZINC000547516382 504133720 /nfs/dbraw/zinc/13/37/20/504133720.db2.gz FKNGADWETVPFQO-REWPJTCUSA-N 2 0 351.538 3.444 20 0 FGADRP C[NH+]1CCC([C@@H]2CCN(C(=O)[C@H]3CCC[N@H+](Cc4ccccc4)C3)C2)CC1 ZINC000534411775 504134228 /nfs/dbraw/zinc/13/42/28/504134228.db2.gz QGGNJDPWYPODMW-YADHBBJMSA-N 2 0 369.553 3.089 20 0 FGADRP C[C@@H](C[NH+]1CC[C@H](C(C)(C)C)[C@H](O)C1)C[N@@H+]1CC[C@H](C(C)(C)C)[C@@H](O)C1 ZINC000544439469 504135200 /nfs/dbraw/zinc/13/52/00/504135200.db2.gz ZJQADBUISRYAGV-FSGKZVOOSA-N 2 0 368.606 3.080 20 0 FGADRP Cc1cc(C[NH+]2CCC(C)(C[NH+]3CCN(C)CC3)CC2)cc2cccnc12 ZINC000544594242 504184537 /nfs/dbraw/zinc/18/45/37/504184537.db2.gz IBPBHGNQXHMYNL-UHFFFAOYSA-N 2 0 366.553 3.393 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)N(C)CCC[NH+](C)C)c1ccccc1Cl ZINC000544636400 504199516 /nfs/dbraw/zinc/19/95/16/504199516.db2.gz YBMDFINXXIANGE-SFHVURJKSA-N 2 0 368.953 3.316 20 0 FGADRP CC(C)[N@@H+]1CC[C@H](CNC(=O)N[C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000531191189 504221311 /nfs/dbraw/zinc/22/13/11/504221311.db2.gz DGXZTBQTHSRZQY-TYPHKJRUSA-N 2 0 372.557 3.069 20 0 FGADRP C[NH+](C)CC1(CNC(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)CCCC1 ZINC000544701752 504224645 /nfs/dbraw/zinc/22/46/45/504224645.db2.gz RKDTYGQKVSODOX-FQEVSTJZSA-N 2 0 372.557 3.245 20 0 FGADRP Cc1ccc2sc(C[NH+]3CCC(C)(C[NH+]4CCN(C)CC4)CC3)nc2c1 ZINC000528445170 504228605 /nfs/dbraw/zinc/22/86/05/504228605.db2.gz IWCUNCOXEXLKGT-UHFFFAOYSA-N 2 0 372.582 3.454 20 0 FGADRP C[C@H](CCc1cccc(F)c1)[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000541762409 504246562 /nfs/dbraw/zinc/24/65/62/504246562.db2.gz OEUSGZCQGRIHRI-LJQANCHMSA-N 2 0 361.549 3.496 20 0 FGADRP C[C@@H]1CCC[N@H+](Cc2ccc(C[NH2+][C@@H](Cc3ccccc3)C(N)=O)cc2)C1 ZINC000541799263 504258021 /nfs/dbraw/zinc/25/80/21/504258021.db2.gz TYRPQQWCWVWMSW-GCJKJVERSA-N 2 0 365.521 3.105 20 0 FGADRP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)NCCCCC[NH+]1CCCCC1 ZINC000541826333 504265804 /nfs/dbraw/zinc/26/58/04/504265804.db2.gz PMEDCQJPCDLJSA-SFHVURJKSA-N 2 0 352.567 3.014 20 0 FGADRP CC(C)(C)[N@@H+]1CCCN(C(=O)NC2CC[NH+](C3CCCCC3)CC2)CC1 ZINC000531345416 504273641 /nfs/dbraw/zinc/27/36/41/504273641.db2.gz ZYVNQQDRLWMXHQ-UHFFFAOYSA-N 2 0 364.578 3.299 20 0 FGADRP CC[C@@H](C(=O)Nc1ccc(OC)cc1)[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000531347406 504274955 /nfs/dbraw/zinc/27/49/55/504274955.db2.gz SLDYUVFLOBEBRX-FQEVSTJZSA-N 2 0 361.530 3.465 20 0 FGADRP CCc1ccc([C@@H](C)[NH2+][C@@H](Cc2ccccc2)C(=O)NCC[NH+](C)C)s1 ZINC000538589320 504295715 /nfs/dbraw/zinc/29/57/15/504295715.db2.gz YKKQBMDLDSAEJZ-APWZRJJASA-N 2 0 373.566 3.250 20 0 FGADRP C(CC[N@@H+]1CCC[C@@H]([C@H]2CCOC2)C1)C[NH+]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000535011617 504312815 /nfs/dbraw/zinc/31/28/15/504312815.db2.gz DUBVYFKQFANYMU-ZDNVTZCJSA-N 2 0 364.574 3.264 20 0 FGADRP CC[NH+]1CCN(c2ccccc2NC(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC000548065767 504316831 /nfs/dbraw/zinc/31/68/31/504316831.db2.gz UUUQOIYVCPIBHI-UHFFFAOYSA-N 2 0 372.557 3.422 20 0 FGADRP C[N@H+](Cc1ccccc1NC(=O)NC1(C[NH3+])CCOCC1)C1CCCCC1 ZINC000528665798 504321503 /nfs/dbraw/zinc/32/15/03/504321503.db2.gz VNJFLBXWVFMZNV-UHFFFAOYSA-N 2 0 374.529 3.081 20 0 FGADRP CC[C@]1(C(=O)NC[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)CCC[NH2+]1 ZINC000519824376 504353663 /nfs/dbraw/zinc/35/36/63/504353663.db2.gz HMODKPIYKSBHSX-DKSSEZFCSA-N 2 0 367.896 3.120 20 0 FGADRP CCOC(=O)COc1ccc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000538799708 504376269 /nfs/dbraw/zinc/37/62/69/504376269.db2.gz SGLWFMDNCQAKDE-WIYYLYMNSA-N 2 0 372.509 3.077 20 0 FGADRP CC[NH+](CC)CCN(Cc1ccccc1)C(=O)NCC1([NH+](C)C)CCCC1 ZINC000519989061 504395276 /nfs/dbraw/zinc/39/52/76/504395276.db2.gz ZDAQJHATUQOFRP-UHFFFAOYSA-N 2 0 374.573 3.414 20 0 FGADRP CN(CCCn1ccnc1)C(=O)[C@@H]1CCCN1Cc1ccc(Cl)cc1 ZINC000528848972 504413568 /nfs/dbraw/zinc/41/35/68/504413568.db2.gz FQSQHHMFFZAXPP-SFHVURJKSA-N 2 0 360.889 3.050 20 0 FGADRP Cc1ccncc1[C@H](C)[NH2+]CCCN1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000538985335 504439842 /nfs/dbraw/zinc/43/98/42/504439842.db2.gz GQEUCKGRGZRWCE-UGKGYDQZSA-N 2 0 352.526 3.419 20 0 FGADRP Cn1ccnc1[C@@H]1CCN(C(=O)[C@H]2CCCN2Cc2ccc(Cl)cc2)C1 ZINC000528908856 504445209 /nfs/dbraw/zinc/44/52/09/504445209.db2.gz RPEBGLCOHYBPLW-SJLPKXTDSA-N 2 0 372.900 3.054 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H](NC[C@@H]2CCC[NH+](CC(C)C)C2)[C@H](C)C1 ZINC000539046014 504456602 /nfs/dbraw/zinc/45/66/02/504456602.db2.gz GBUOFRLCRJIRDS-HKBOAZHASA-N 2 0 353.595 3.081 20 0 FGADRP Cc1ccc([C@@H](CNC(=O)N(CC[NH+](C)C)CC(C)C)[NH+]2CCCC2)cc1 ZINC000520296819 504458348 /nfs/dbraw/zinc/45/83/48/504458348.db2.gz VFAOUMLQXALGEI-OAQYLSRUSA-N 2 0 374.573 3.361 20 0 FGADRP Cc1cccc(C(=O)NCC[NH2+][C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000548482830 504461343 /nfs/dbraw/zinc/46/13/43/504461343.db2.gz GSTJVHNZHAEWDF-KNQAVFIVSA-N 2 0 365.521 3.225 20 0 FGADRP C[NH+](C)CCC1CC[NH+](CC(=O)NCCc2ccc(C(C)(C)C)cc2)CC1 ZINC000531896756 504463091 /nfs/dbraw/zinc/46/30/91/504463091.db2.gz RLHPHSMQYPQFQA-UHFFFAOYSA-N 2 0 373.585 3.307 20 0 FGADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+](Cc2cccc(F)c2)C1 ZINC000520346879 504473198 /nfs/dbraw/zinc/47/31/98/504473198.db2.gz FSLWHKPDVWRCNT-UYAOXDASSA-N 2 0 361.505 3.028 20 0 FGADRP C[NH+](C)CCCOc1ccc(NC(=O)NC[C@H]2CC[N@@H+]2C2CCCC2)cc1 ZINC000528971781 504475475 /nfs/dbraw/zinc/47/54/75/504475475.db2.gz SHXCLFUYHCKMMY-LJQANCHMSA-N 2 0 374.529 3.156 20 0 FGADRP C[NH+](C)CCNC(=O)c1cccc(C[NH2+][C@H]2CCc3c2cccc3Cl)c1 ZINC000531965919 504488470 /nfs/dbraw/zinc/48/84/70/504488470.db2.gz VLZUSVZCQSVDCS-FQEVSTJZSA-N 2 0 371.912 3.409 20 0 FGADRP CCO[C@@H]1C[C@H]([NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3C)CC2)[C@@]12CCCO2 ZINC000545458290 504494169 /nfs/dbraw/zinc/49/41/69/504494169.db2.gz ZGDQAMFUIXMBGK-RQXATKFSSA-N 2 0 350.547 3.346 20 0 FGADRP CCC[NH+]1CCN(c2ccccc2C[NH2+]C[C@H](O)C2CCCCC2)CC1 ZINC000532042435 504514871 /nfs/dbraw/zinc/51/48/71/504514871.db2.gz MOJCQNQSBWEIMB-QFIPXVFZSA-N 2 0 359.558 3.249 20 0 FGADRP C[N@H+](CCNC(=O)N1CCC[NH+](CC2CCCCC2)CC1)C1CCCC1 ZINC000520617948 504541951 /nfs/dbraw/zinc/54/19/51/504541951.db2.gz MVJMELGZFZHUHG-UHFFFAOYSA-N 2 0 364.578 3.158 20 0 FGADRP CCC[NH+]1CCN(c2ccccc2C[N@@H+]2CCC[C@H]([C@H]3CCOC3)C2)CC1 ZINC000535806505 504551117 /nfs/dbraw/zinc/55/11/17/504551117.db2.gz ZFNVYJWRSMYMHQ-UNMCSNQZSA-N 2 0 371.569 3.467 20 0 FGADRP CS(=O)(=O)c1ccc(CN2CCC[C@H](c3ncc4n3CCCC4)C2)cc1 ZINC000548791901 504568779 /nfs/dbraw/zinc/56/87/79/504568779.db2.gz UBBWQZJBYWOOHY-KRWDZBQOSA-N 2 0 373.522 3.003 20 0 FGADRP COc1ccsc1C[NH2+]CCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000532212343 504573969 /nfs/dbraw/zinc/57/39/69/504573969.db2.gz CPIXLEHWOZHUPI-UHFFFAOYSA-N 2 0 373.566 3.444 20 0 FGADRP C[C@@H]([NH2+]Cc1cccc(OCC[NH+](C)C)c1)c1ccc2c(c1)CCC(=O)N2 ZINC000532210617 504574542 /nfs/dbraw/zinc/57/45/42/504574542.db2.gz OVVXZUFNVNBJGR-MRXNPFEDSA-N 2 0 367.493 3.363 20 0 FGADRP C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+][C@@H](C)CC[NH+](C)C ZINC000532217808 504576470 /nfs/dbraw/zinc/57/64/70/504576470.db2.gz JMTGIVSLMODJCX-QWHCGFSZSA-N 2 0 361.408 3.232 20 0 FGADRP Cc1ccc(Cl)c(OC[C@H](O)C[NH2+]CCCC[N@H+]2CCC[C@@H](C)C2)c1 ZINC000520797691 504584070 /nfs/dbraw/zinc/58/40/70/504584070.db2.gz IXAGRNYDHYXIPW-QZTJIDSGSA-N 2 0 368.949 3.490 20 0 FGADRP CCCC[N@H+](C)CC1CC[NH+]([C@H](C)C(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000520794946 504584289 /nfs/dbraw/zinc/58/42/89/504584289.db2.gz MGRWWJARXIMDHM-GBESFXJTSA-N 2 0 351.579 3.323 20 0 FGADRP CC1CC[NH+](Cc2ccc(CNC(=O)c3c[nH+]ccc3N(C)C)cc2)CC1 ZINC000542772500 504603814 /nfs/dbraw/zinc/60/38/14/504603814.db2.gz RAFCILODEOPKOM-UHFFFAOYSA-N 2 0 366.509 3.310 20 0 FGADRP CCC[NH+]1CCN(c2ccccc2C[NH2+]CC2([C@@H](C)CCO)CCC2)CC1 ZINC000539548084 504604707 /nfs/dbraw/zinc/60/47/07/504604707.db2.gz XCOJZNNIICGJFO-FQEVSTJZSA-N 2 0 373.585 3.497 20 0 FGADRP C[N@@H+]1CCN(CCC[NH2+]Cc2ccc(F)c(F)c2)[C@H](c2ccccc2)C1 ZINC000520951866 504615303 /nfs/dbraw/zinc/61/53/03/504615303.db2.gz QGYUVUXQTVIFKJ-NRFANRHFSA-N 2 0 359.464 3.433 20 0 FGADRP C[C@@H]1[C@H](NC(=O)Nc2ccc3c(c2)C[NH2+]CC3)CC[N@@H+]1Cc1ccccc1 ZINC000521001354 504626965 /nfs/dbraw/zinc/62/69/65/504626965.db2.gz QZOBISWQMAIEOO-IIBYNOLFSA-N 2 0 364.493 3.117 20 0 FGADRP O=C(NCc1ccccc1C[NH+]1CCCCCC1)N[C@H]1CC[NH2+]C12CCC2 ZINC000529308905 504630130 /nfs/dbraw/zinc/63/01/30/504630130.db2.gz RCOYIJBPDIXWPV-FQEVSTJZSA-N 2 0 370.541 3.146 20 0 FGADRP CC[NH+](CC)Cc1ccc(CNC(=O)N(C)CCC[NH+]2CCCC2)cc1 ZINC000539635344 504634877 /nfs/dbraw/zinc/63/48/77/504634877.db2.gz UCJBISXDNOWWQE-UHFFFAOYSA-N 2 0 360.546 3.156 20 0 FGADRP Cc1ccc([C@@H](C)[N@H+](C)CC(=O)N2CCN(Cc3ccco3)CC2)c(C)c1 ZINC000532493520 504668988 /nfs/dbraw/zinc/66/89/88/504668988.db2.gz BZJWUTBOUBGLCH-LJQANCHMSA-N 2 0 369.509 3.234 20 0 FGADRP C[C@H]([NH2+]CCCN1CC[NH+](Cc2ccccc2)CC1)C1CC(F)(F)C1 ZINC000529531662 504716589 /nfs/dbraw/zinc/71/65/89/504716589.db2.gz HAWJYSUYEBRTDP-KRWDZBQOSA-N 2 0 351.485 3.218 20 0 FGADRP CC[NH+](CC)C[C@@H](C)NC(=O)[C@@H](C)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000521380929 504724461 /nfs/dbraw/zinc/72/44/61/504724461.db2.gz MQJOFHITWCKCCV-RTBURBONSA-N 2 0 359.558 3.176 20 0 FGADRP CC[NH+](CC)CCNC(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000532662822 504728582 /nfs/dbraw/zinc/72/85/82/504728582.db2.gz APGYSQCIABJOFA-UHFFFAOYSA-N 2 0 362.518 3.015 20 0 FGADRP C[C@@H]1CN(c2ccccc2C[NH2+]C[C@@H]2CCN2C2CCCCC2)CCO1 ZINC000529643165 504751566 /nfs/dbraw/zinc/75/15/66/504751566.db2.gz VRYZAJPNFMOYPG-NQIIRXRSSA-N 2 0 357.542 3.408 20 0 FGADRP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000521589367 504761437 /nfs/dbraw/zinc/76/14/37/504761437.db2.gz YUVXGPCPCCZGIB-RTBURBONSA-N 2 0 357.542 3.007 20 0 FGADRP Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)C[C@@H]1CCCC[C@H]1[NH3+] ZINC000521619969 504765359 /nfs/dbraw/zinc/76/53/59/504765359.db2.gz CXHAENLYNXNMHI-ZWKOTPCHSA-N 2 0 361.555 3.390 20 0 FGADRP COC1CC[NH+](C(C)(C)CN[C@@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)CC1 ZINC000556076510 504791355 /nfs/dbraw/zinc/79/13/55/504791355.db2.gz OJKPTUJSGQTLDG-TZIWHRDSSA-N 2 0 359.558 3.301 20 0 FGADRP CC1(C)CC[N@H+](CC(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)C1 ZINC000553059848 504816993 /nfs/dbraw/zinc/81/69/93/504816993.db2.gz SZCMNUVJJXYNPN-UHFFFAOYSA-N 2 0 357.542 3.411 20 0 FGADRP CCC[NH+]1CCN(c2ccccc2C[NH2+]C[C@]2(O)CCCC2(C)C)CC1 ZINC000559321517 504833111 /nfs/dbraw/zinc/83/31/11/504833111.db2.gz PFGMIOPTAMCYPR-JOCHJYFZSA-N 2 0 359.558 3.249 20 0 FGADRP CC1CC[NH+](CCc2cccc(NC(=O)N[C@H]3CC[NH2+]C[C@H]3C)c2)CC1 ZINC000565292041 504846085 /nfs/dbraw/zinc/84/60/85/504846085.db2.gz JLRRRZDITYOMLK-XLIONFOSSA-N 2 0 358.530 3.081 20 0 FGADRP [NH3+][C@H]1CCCO[C@@H]1C1CC[NH+](Cc2c[nH]nc2-c2ccc(Cl)cc2)CC1 ZINC000565351290 504862905 /nfs/dbraw/zinc/86/29/05/504862905.db2.gz FGNDGWLUWMAXID-AZUAARDMSA-N 2 0 374.916 3.448 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000553326421 504884727 /nfs/dbraw/zinc/88/47/27/504884727.db2.gz DHGNYUBCWPDWTC-CTNGQTDRSA-N 2 0 357.542 3.279 20 0 FGADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+]C[C@@H](O)COc2ccc3ccccc3c2)C1 ZINC000565536210 504915899 /nfs/dbraw/zinc/91/58/99/504915899.db2.gz YCQXNADRLBJLEZ-WIYYLYMNSA-N 2 0 356.510 3.290 20 0 FGADRP C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000553448645 504917804 /nfs/dbraw/zinc/91/78/04/504917804.db2.gz JADDPRZASXKQJB-YRPNKDGESA-N 2 0 364.578 3.013 20 0 FGADRP C[N@H+](C[C@H](O)Cc1ccc(F)cc1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000549861089 504919798 /nfs/dbraw/zinc/91/97/98/504919798.db2.gz XVDZJTRVHIIYFM-RBBKRZOGSA-N 2 0 356.485 3.183 20 0 FGADRP C[C@@H]1C[N@@H+](CCCC[NH2+][C@@H]2CCN(C)[C@@H](c3ccccc3)C2)C[C@H](C)O1 ZINC000559742853 504921371 /nfs/dbraw/zinc/92/13/71/504921371.db2.gz GQLYLJCLAMNTAR-NPDDRXJXSA-N 2 0 359.558 3.301 20 0 FGADRP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](Cc2ncc(-c3ccc(F)cc3)o2)CC1 ZINC000562839013 504961501 /nfs/dbraw/zinc/96/15/01/504961501.db2.gz XJVNROUTIVNIFN-YLJYHZDGSA-N 2 0 359.445 3.199 20 0 FGADRP C[C@@H]1C[C@H]([NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)CCO1 ZINC000550262723 505005423 /nfs/dbraw/zinc/00/54/23/505005423.db2.gz PJDAQYZMUNIPAX-HMXCVIKNSA-N 2 0 358.526 3.072 20 0 FGADRP C[C@H]1C[C@@H](c2ccccc2)C[C@@H]([NH2+]CCC[N@@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000553780956 505007040 /nfs/dbraw/zinc/00/70/40/505007040.db2.gz DEOCVHBCQVMAAU-KCLUMXDGSA-N 2 0 357.542 3.136 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+]C[C@H](O)COc1cccc2[nH]ccc21 ZINC000562988514 505011952 /nfs/dbraw/zinc/01/19/52/505011952.db2.gz PDQHHJWFAINPHD-MSOLQXFVSA-N 2 0 359.514 3.152 20 0 FGADRP C[C@H](OC[C@H](O)C[NH2+]Cc1ccc2c[nH+]cn2c1)c1ccc(Cl)cc1 ZINC000562999197 505014621 /nfs/dbraw/zinc/01/46/21/505014621.db2.gz ZELXZVZMIZUEPW-IFXJQAMLSA-N 2 0 359.857 3.216 20 0 FGADRP CN(C)CC[NH+]1CCC(C[NH2+][C@H]2C[C@@H](Oc3ccccc3)C2(C)C)CC1 ZINC000560246132 505028245 /nfs/dbraw/zinc/02/82/45/505028245.db2.gz MNLIJNKKWFKDKN-LEWJYISDSA-N 2 0 359.558 3.096 20 0 FGADRP COc1cccc(C[C@H](C)[NH2+]Cc2ccc(OC3CC[NH+](C)CC3)cc2)n1 ZINC000560268829 505034874 /nfs/dbraw/zinc/03/48/74/505034874.db2.gz QCIKQUNHDBBQPB-KRWDZBQOSA-N 2 0 369.509 3.284 20 0 FGADRP C[NH+](C)C[C@H](NC(=O)c1ccc2c(c1)CC[NH2+]CC2)c1ccc(Cl)cc1 ZINC000563097731 505046770 /nfs/dbraw/zinc/04/67/70/505046770.db2.gz CBOHPVOGILIIDG-FQEVSTJZSA-N 2 0 371.912 3.061 20 0 FGADRP C[C@H]([NH2+]CCC(=O)Nc1cccc(Br)c1)C(C)(C)C[NH+](C)C ZINC000566116077 505086292 /nfs/dbraw/zinc/08/62/92/505086292.db2.gz NVOPWNOXDVLQLT-ZDUSSCGKSA-N 2 0 370.335 3.344 20 0 FGADRP C[C@H]1C[C@@H]1[N@@H+]1CCN(C(=O)[C@@H]2CCCC[NH+]2Cc2ccccc2)C[C@@H](C)C1 ZINC000554128613 505099986 /nfs/dbraw/zinc/09/99/86/505099986.db2.gz OYHXXIJSBCIVBQ-LGGPRVQUSA-N 2 0 369.553 3.230 20 0 FGADRP C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)CC[C@H]2CC[NH2+]C2)cc1 ZINC000566171940 505104138 /nfs/dbraw/zinc/10/41/38/505104138.db2.gz ICHMJYAMUISMFW-SFHVURJKSA-N 2 0 365.521 3.421 20 0 FGADRP CCn1ccnc1C[N@H+](CCCc1ccc(C)nc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000566230482 505118577 /nfs/dbraw/zinc/11/85/77/505118577.db2.gz FBYQCSJXRRFIAC-HXUWFJFHSA-N 2 0 367.541 3.183 20 0 FGADRP C[C@H]([NH2+]Cc1cccc(C[NH+]2CCC(C)CC2)c1)C(C)(C)n1cncn1 ZINC000550891801 505121200 /nfs/dbraw/zinc/12/12/00/505121200.db2.gz NYAXNPBJEGZDGA-SFHVURJKSA-N 2 0 355.530 3.423 20 0 FGADRP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2CC(=O)N(C)C)C12CC3CC(CC(C3)C1)C2 ZINC000560584653 505133869 /nfs/dbraw/zinc/13/38/69/505133869.db2.gz LZQFSDKCCTUPHX-RRBDQJOVSA-N 2 0 373.585 3.265 20 0 FGADRP C[C@H](C(=O)NCc1ccc(C[NH3+])cc1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000566296049 505137599 /nfs/dbraw/zinc/13/75/99/505137599.db2.gz MRVUOGUDUUFXOF-GOSISDBHSA-N 2 0 365.521 3.105 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1cnc(C(C)(C)C)s1 ZINC000557525405 505156477 /nfs/dbraw/zinc/15/64/77/505156477.db2.gz LTPKLQHOHCWXDL-MRXNPFEDSA-N 2 0 352.592 3.289 20 0 FGADRP Cc1ccc([C@@H](CNC(=O)Nc2cccc3c2CC[NH2+]C3)[NH+](C)C)cc1 ZINC000563499221 505157682 /nfs/dbraw/zinc/15/76/82/505157682.db2.gz QWNNOSRSRZIKDV-HXUWFJFHSA-N 2 0 352.482 3.065 20 0 FGADRP Cc1nsc(C)c1C[N@@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000566415133 505169520 /nfs/dbraw/zinc/16/95/20/505169520.db2.gz XHOAKHLBOLLMBA-UHFFFAOYSA-N 2 0 364.603 3.388 20 0 FGADRP CC(C)C[C@H](C)[NH+]1CCC(C(=O)NCC[N@H+](C)Cc2ccccc2)CC1 ZINC000560729545 505172128 /nfs/dbraw/zinc/17/21/28/505172128.db2.gz GLLSSRGESBUKRP-IBGZPJMESA-N 2 0 359.558 3.381 20 0 FGADRP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000563581363 505182704 /nfs/dbraw/zinc/18/27/04/505182704.db2.gz OSXGBGGJAXTGDT-UIBIWLFHSA-N 2 0 364.559 3.042 20 0 FGADRP CC[C@H](C[NH2+][C@@H]1CC[C@H](C)C[C@@H]1n1cncn1)N1CCc2ccccc2C1 ZINC000551267748 505189125 /nfs/dbraw/zinc/18/91/25/505189125.db2.gz VNMAOCFDNVUVSR-UPZYVNNASA-N 2 0 367.541 3.434 20 0 FGADRP Cc1cccc(N2CC[NH+](CCCC[NH2+][C@@H](C)[C@@]3(C)CCCO3)CC2)c1 ZINC000551266881 505189587 /nfs/dbraw/zinc/18/95/87/505189587.db2.gz HATQIMSIXYZLJL-RBBKRZOGSA-N 2 0 359.558 3.444 20 0 FGADRP CCC1(CNC(=O)NC2(C)CC[NH2+]CC2)CC[NH+](Cc2ccccc2)CC1 ZINC000566551162 505203593 /nfs/dbraw/zinc/20/35/93/505203593.db2.gz CTZQBQPVMQOOEW-UHFFFAOYSA-N 2 0 372.557 3.120 20 0 FGADRP O[C@@H](C[NH2+]CC1CC[NH+](C2CC2)CC1)COc1cccc2ccccc21 ZINC000566556035 505204973 /nfs/dbraw/zinc/20/49/73/505204973.db2.gz BUBJABYBHBYICZ-FQEVSTJZSA-N 2 0 354.494 3.044 20 0 FGADRP O=C(N[C@H]1CCC[N@H+](CC[C@@H]2CCC[NH2+]C2)C1)c1cc2ccccc2o1 ZINC000563667929 505205781 /nfs/dbraw/zinc/20/57/81/505205781.db2.gz XPUVHELGCLNZPH-WMZOPIPTSA-N 2 0 355.482 3.017 20 0 FGADRP C[C@@H]([NH2+][C@H]1CCOC2(CCOCC2)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000560920544 505211263 /nfs/dbraw/zinc/21/12/63/505211263.db2.gz SAEAKOXMLNMULQ-MJGOQNOKSA-N 2 0 362.514 3.006 20 0 FGADRP C[C@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000560943332 505214271 /nfs/dbraw/zinc/21/42/71/505214271.db2.gz XOMVOZNNBOKUOI-KGLIPLIRSA-N 2 0 357.420 3.402 20 0 FGADRP CC[NH+](CC)CC1CC[NH+](C[C@H]2CN(Cc3ccccc3)CCCO2)CC1 ZINC000563737299 505224755 /nfs/dbraw/zinc/22/47/55/505224755.db2.gz GSAKYQJXFMKSMU-QHCPKHFHSA-N 2 0 373.585 3.331 20 0 FGADRP C[C@@H]1C[NH+](CCCCC[N@H+]2C[C@H](C)OC3(CCC3)C2)CC2(CCC2)O1 ZINC000566676520 505241461 /nfs/dbraw/zinc/24/14/61/505241461.db2.gz RCUWVGWUYDSETP-KDURUIRLSA-N 2 0 350.547 3.444 20 0 FGADRP O=C(Nc1ccccc1)N1CC[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)C1 ZINC000563804544 505243605 /nfs/dbraw/zinc/24/36/05/505243605.db2.gz YSNBVKZYIRVQGK-ZGXWSNOMSA-N 2 0 356.514 3.193 20 0 FGADRP C[C@H]1C[C@H](C)C[NH+](C(C)(C)C[NH2+]C2CCN(c3nccs3)CC2)C1 ZINC000557886484 505255548 /nfs/dbraw/zinc/25/55/48/505255548.db2.gz FPNNDOMIYRESTB-HOTGVXAUSA-N 2 0 350.576 3.458 20 0 FGADRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C[C@H](c2nccn2C)C(F)(F)F)C1 ZINC000561180194 505273171 /nfs/dbraw/zinc/27/31/71/505273171.db2.gz LQKVEGGULUIPRP-ZIAGYGMSSA-N 2 0 374.451 3.083 20 0 FGADRP C[C@@H]1C[C@H](NC(=O)NC[C@H]2[NH2+]CCCC2(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000561193865 505276963 /nfs/dbraw/zinc/27/69/63/505276963.db2.gz PKHQRSDVAODAPR-MISYRCLQSA-N 2 0 372.557 3.117 20 0 FGADRP C[C@@H]([NH3+])C1CCN(C(=O)NCc2ccccc2C[NH+]2CCCCCC2)CC1 ZINC000561196814 505277435 /nfs/dbraw/zinc/27/74/35/505277435.db2.gz BTYMVEDDMAMTJD-GOSISDBHSA-N 2 0 372.557 3.331 20 0 FGADRP C[C@H]([NH3+])C1CCN(C(=O)NCc2ccccc2C[NH+]2CCCCCC2)CC1 ZINC000561196818 505277515 /nfs/dbraw/zinc/27/75/15/505277515.db2.gz BTYMVEDDMAMTJD-SFHVURJKSA-N 2 0 372.557 3.331 20 0 FGADRP c1cnc(N2CC[NH+](CCCC[NH2+]CCC3CCCCCC3)CC2)nc1 ZINC000554855697 505282282 /nfs/dbraw/zinc/28/22/82/505282282.db2.gz WUJGSHWKSUERLG-UHFFFAOYSA-N 2 0 359.562 3.329 20 0 FGADRP C[C@@H]([NH2+]Cc1cccc(N2CCC2=O)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000554864808 505284718 /nfs/dbraw/zinc/28/47/18/505284718.db2.gz GLBGILBWCVFRRQ-NQIIRXRSSA-N 2 0 363.505 3.424 20 0 FGADRP COc1cccc([C@@H](CNC(=O)C(C)(C)[C@H]([NH3+])c2ccccc2)[NH+](C)C)c1 ZINC000563954628 505287865 /nfs/dbraw/zinc/28/78/65/505287865.db2.gz MNLZOLNFHJMPRP-WOJBJXKFSA-N 2 0 369.509 3.140 20 0 FGADRP CC[C@@H]([NH2+]CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1)C(C)(C)C ZINC000561341630 505320000 /nfs/dbraw/zinc/32/00/00/505320000.db2.gz YHIDAMUDPBNOER-HXUWFJFHSA-N 2 0 359.558 3.490 20 0 FGADRP C[C@@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCC2(CCCC2)CC1 ZINC000567001024 505334885 /nfs/dbraw/zinc/33/48/85/505334885.db2.gz DFKXZGGIXDLCEO-FPOVZHCZSA-N 2 0 369.553 3.422 20 0 FGADRP CC1CC[NH+](CCc2cccc(NC(=O)c3conc3C(C)(C)[NH3+])c2)CC1 ZINC000567061078 505352849 /nfs/dbraw/zinc/35/28/49/505352849.db2.gz LMWOXHNEYHHZHR-UHFFFAOYSA-N 2 0 370.497 3.395 20 0 FGADRP C[N@H+](Cc1ccccc1CNC(=O)N1CC[C@@](C)(C[NH3+])C1)C1CCCCC1 ZINC000567147010 505376890 /nfs/dbraw/zinc/37/68/90/505376890.db2.gz GXZDJVBFGPCVPY-QFIPXVFZSA-N 2 0 372.557 3.331 20 0 FGADRP Cc1c[nH+]ccc1NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000555229030 505385378 /nfs/dbraw/zinc/38/53/78/505385378.db2.gz CDNIMLURZCWESH-HXUWFJFHSA-N 2 0 351.494 3.153 20 0 FGADRP CO[C@]1(C[NH2+][C@@H]2CCCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CCOC1 ZINC000552065484 505388069 /nfs/dbraw/zinc/38/80/69/505388069.db2.gz BKUQJLUPQXRJPI-KJJMTIBFSA-N 2 0 358.526 3.072 20 0 FGADRP CC[NH+]1CCN(Cc2ccc(N[C@@H]3CC[N@H+](C)[C@H]4CCC[C@H]43)cc2)CC1 ZINC000552064160 505388075 /nfs/dbraw/zinc/38/80/75/505388075.db2.gz ZNYVNORCVWLBLB-BDTNDASRSA-N 2 0 356.558 3.109 20 0 FGADRP C[C@@H]1C[N@@H+](CCC2CC[NH+](Cc3cccc4c3OCO4)CC2)C[C@H](C)O1 ZINC000552092030 505395976 /nfs/dbraw/zinc/39/59/76/505395976.db2.gz GWKWTKJATJGGTQ-CALCHBBNSA-N 2 0 360.498 3.127 20 0 FGADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2cnc(-c3ccncc3)s2)C1 ZINC000552102746 505400549 /nfs/dbraw/zinc/40/05/49/505400549.db2.gz QNIQVFBAQVFMGW-KRWDZBQOSA-N 2 0 360.527 3.138 20 0 FGADRP C[C@@H](NC(=O)Nc1cccc2c1CC[NH2+]C2)[C@H](c1ccccc1)[NH+](C)C ZINC000567244475 505406756 /nfs/dbraw/zinc/40/67/56/505406756.db2.gz PKMYTMKKFNOIOH-FOIQADDNSA-N 2 0 352.482 3.145 20 0 FGADRP CCc1[nH+]c2ccccc2c(N2CC[C@H]([NH+]3CCN(CC)CC3)C2)c1C ZINC000558493634 505408012 /nfs/dbraw/zinc/40/80/12/505408012.db2.gz RPGYSBCIRLFRGV-SFHVURJKSA-N 2 0 352.526 3.322 20 0 FGADRP CC(C)c1nccn1Cc1cccc(NC(=O)[C@H]2CCc3cncn3C2)c1 ZINC000567275266 505415429 /nfs/dbraw/zinc/41/54/29/505415429.db2.gz CVVOYOGZNWQTRX-KRWDZBQOSA-N 2 0 363.465 3.452 20 0 FGADRP CC(C)c1nccn1Cc1cccc(NC(=O)[C@@H]2CCc3cncn3C2)c1 ZINC000567275267 505415807 /nfs/dbraw/zinc/41/58/07/505415807.db2.gz CVVOYOGZNWQTRX-QGZVFWFLSA-N 2 0 363.465 3.452 20 0 FGADRP C[C@@H]([NH2+]C1(CNC(=O)N2CCC(C[NH3+])CC2)CCCC1)c1ccccc1 ZINC000564430480 505417985 /nfs/dbraw/zinc/41/79/85/505417985.db2.gz BRTLLEOUGRPEMT-QGZVFWFLSA-N 2 0 358.530 3.030 20 0 FGADRP COC(=O)[C@@H](C)C[N@H+](Cc1ccccc1)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000564459321 505425548 /nfs/dbraw/zinc/42/55/48/505425548.db2.gz UWCXKRRBWCJTGI-KRWDZBQOSA-N 2 0 352.478 3.144 20 0 FGADRP C[C@H]1C[C@@H]1[N@@H+]1CCN(C(=O)c2oc3ccccc3c2C[NH+](C)C)C[C@@H](C)C1 ZINC000561760215 505428892 /nfs/dbraw/zinc/42/88/92/505428892.db2.gz APUODCFWEVSKLP-BXWFABGCSA-N 2 0 369.509 3.297 20 0 FGADRP Cc1ccc(C[C@@H]([NH2+]Cc2ccncc2OCC[NH+](C)C)C2CC2)cc1 ZINC000561781829 505436360 /nfs/dbraw/zinc/43/63/60/505436360.db2.gz IABKKKGSGOUFAY-OAQYLSRUSA-N 2 0 353.510 3.441 20 0 FGADRP C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)N2CCNC[C@](C)(F)C2)c1 ZINC000567351304 505437968 /nfs/dbraw/zinc/43/79/68/505437968.db2.gz FXFBBSKVSNOXPL-QFIPXVFZSA-N 2 0 369.484 3.092 20 0 FGADRP CC(C)[C@@H](NC(=O)CN1CC[C@@]2(C1)CCC[N@H+](C)C2)c1ccc(F)cc1 ZINC000555598297 505468811 /nfs/dbraw/zinc/46/88/11/505468811.db2.gz QAUVZTDTZYYSIS-RTWAWAEBSA-N 2 0 361.505 3.057 20 0 FGADRP COc1ccc(CN2CC[C@@]3(C2)CCC[N@H+](C)C3)cc1Br ZINC000555598639 505469216 /nfs/dbraw/zinc/46/92/16/505469216.db2.gz ZRZIKIVUQMVIEM-KRWDZBQOSA-N 2 0 353.304 3.375 20 0 FGADRP C[NH+](C)CCCCC(=O)N[C@H](C[N@@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000552369727 505475300 /nfs/dbraw/zinc/47/53/00/505475300.db2.gz BXGDKZQZVKZUAD-HXUWFJFHSA-N 2 0 359.558 3.308 20 0 FGADRP CC[NH+]1CCN(Cc2ccccc2C[NH2+][C@@H](COC)c2ccccc2)CC1 ZINC000562019977 505493497 /nfs/dbraw/zinc/49/34/97/505493497.db2.gz RSVNSCOWPZYWTH-QHCPKHFHSA-N 2 0 367.537 3.301 20 0 FGADRP Clc1ccc([C@@H]2CC[C@H]([NH2+]Cc3nnc(C4CC[NH2+]CC4)[nH]3)C2)cc1 ZINC000567581142 505505491 /nfs/dbraw/zinc/50/54/91/505505491.db2.gz YXUANEAOJJLURV-WBVHZDCISA-N 2 0 359.905 3.351 20 0 FGADRP [NH3+][C@@H]1CCO[C@@H](C2CC[NH+](Cc3ncc(-c4ccc(F)cc4)o3)CC2)C1 ZINC000564788420 505519967 /nfs/dbraw/zinc/51/99/67/505519967.db2.gz HWTNPMJIBIUTJW-QZTJIDSGSA-N 2 0 359.445 3.199 20 0 FGADRP c1cn(-c2ccccc2C[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cn1 ZINC000567646099 505523193 /nfs/dbraw/zinc/52/31/93/505523193.db2.gz TYFJCHPXAYFDTQ-UGKGYDQZSA-N 2 0 360.461 3.218 20 0 FGADRP CC[NH+]1CCC(C[NH2+][C@H](C)c2ccc(OCc3nccn3C)cc2)CC1 ZINC000564816984 505529174 /nfs/dbraw/zinc/52/91/74/505529174.db2.gz YOCKKDAHIBBVNA-QGZVFWFLSA-N 2 0 356.514 3.382 20 0 FGADRP C[NH+](C)Cc1cccc(C[NH2+]C[C@H](O)Cc2ccc(C(F)(F)F)cc2)c1 ZINC000564843659 505536041 /nfs/dbraw/zinc/53/60/41/505536041.db2.gz WZPIOZDANAPNHI-LJQANCHMSA-N 2 0 366.427 3.460 20 0 FGADRP C[C@H](OC[C@H](O)C[NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1)c1ccc(Cl)cc1 ZINC000564848462 505537923 /nfs/dbraw/zinc/53/79/23/505537923.db2.gz FEQFPELSACVEPC-WQANXHIZSA-N 2 0 354.922 3.241 20 0 FGADRP C[C@@H]([NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1)[C@@H]1C[C@H]1c1ccccc1 ZINC000558972883 505541868 /nfs/dbraw/zinc/54/18/68/505541868.db2.gz VNZWUMADKDGDGU-QMMLZNLJSA-N 2 0 371.569 3.395 20 0 FGADRP C[C@H](OC[C@H](O)C[NH2+]CC(C)(C)C[NH+]1CCCC1)c1ccc(Cl)cc1 ZINC000564864748 505543787 /nfs/dbraw/zinc/54/37/87/505543787.db2.gz SSTAENBSGZYMMM-QFBILLFUSA-N 2 0 368.949 3.490 20 0 FGADRP CC[C@H]1[NH2+]CC[C@@H]1C(=O)NCCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000564922850 505558774 /nfs/dbraw/zinc/55/87/74/505558774.db2.gz HGUABISORPOYBM-FCHUYYIVSA-N 2 0 371.569 3.226 20 0 FGADRP [NH3+]CCC[C@H](NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000564955336 505562808 /nfs/dbraw/zinc/56/28/08/505562808.db2.gz XBCIYRNKJOZPSE-YADHBBJMSA-N 2 0 365.521 3.495 20 0 FGADRP C[C@H](C(=O)Nc1ccc(C(F)(F)F)cc1)[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000567889198 505570171 /nfs/dbraw/zinc/57/01/71/505570171.db2.gz BPAHAHFUSWHGJQ-HIFRSBDPSA-N 2 0 369.431 3.354 20 0 FGADRP C[C@@H](CNC(=O)N1CC[C@H]([N@H+](C)Cc2ccccc2)C1)[NH+]1CCC(C)CC1 ZINC000608656139 506652452 /nfs/dbraw/zinc/65/24/52/506652452.db2.gz LDLOTPAVIKWRCN-FPOVZHCZSA-N 2 0 372.557 3.023 20 0 FGADRP CC[NH+]1CCN(CCC[NH2+]C[C@H](C)c2ccc(C(F)(F)F)cc2)CC1 ZINC000583232460 506662056 /nfs/dbraw/zinc/66/20/56/506662056.db2.gz YPISGESBDGKQEV-INIZCTEOSA-N 2 0 357.464 3.426 20 0 FGADRP CCN(CC)C(=O)CCC1CC[NH+](Cc2ccc3c(c2)C[NH2+]CC3)CC1 ZINC000583267781 506686806 /nfs/dbraw/zinc/68/68/06/506686806.db2.gz GFQDVYLTWULFSC-UHFFFAOYSA-N 2 0 357.542 3.193 20 0 FGADRP CC[NH+](Cc1ccc(C[N@H+](CC)C[C@H]2CCOC2)cc1)C[C@@H]1CCOC1 ZINC000604054182 506700116 /nfs/dbraw/zinc/70/01/16/506700116.db2.gz YFNCYKIMMODPPU-SZPZYZBQSA-N 2 0 360.542 3.403 20 0 FGADRP CN1CCC([N@@H+]2CC[C@H](NC(=O)N[C@H](c3ccccc3)C(C)(C)C)C2)CC1 ZINC000604173520 506735720 /nfs/dbraw/zinc/73/57/20/506735720.db2.gz MRNJHBNXTRIFSS-AZUAARDMSA-N 2 0 372.557 3.242 20 0 FGADRP COc1ccccc1OCC[NH+]1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000583407725 506761645 /nfs/dbraw/zinc/76/16/45/506761645.db2.gz PSIBQWFMZGECSN-UHFFFAOYSA-N 2 0 363.461 3.444 20 0 FGADRP CCN(CC(=O)N1CCC([C@H]2CC[NH2+]C2)CC1)Cc1ccccc1Cl ZINC000583439004 506780472 /nfs/dbraw/zinc/78/04/72/506780472.db2.gz REIYOONAVGAKLS-KRWDZBQOSA-N 2 0 363.933 3.010 20 0 FGADRP COC(=O)c1ccc(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CC23CCC3)[nH]1 ZINC000597232606 506849379 /nfs/dbraw/zinc/84/93/79/506849379.db2.gz WKEUWCKZMOSSGD-SFHVURJKSA-N 2 0 367.493 3.193 20 0 FGADRP CCc1ccc([C@@H](CNC(=O)N[C@@H]2CC23CC[NH2+]CC3)[NH+](CC)CC)cc1 ZINC000612981865 506849815 /nfs/dbraw/zinc/84/98/15/506849815.db2.gz GFVXKOYYQRHBIU-WOJBJXKFSA-N 2 0 372.557 3.073 20 0 FGADRP CC(C)[N@H+](C)CC1CC[NH+]([C@@H](C)C(=O)N[C@H]2CCC[C@@H](C)[C@H]2C)CC1 ZINC000590786548 506955573 /nfs/dbraw/zinc/95/55/73/506955573.db2.gz DSPUERIRXLQMNP-XSYGEPLQSA-N 2 0 351.579 3.368 20 0 FGADRP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000594133708 506965774 /nfs/dbraw/zinc/96/57/74/506965774.db2.gz TXMMZFCVPKFORZ-SFHLNBCPSA-N 2 0 372.557 3.386 20 0 FGADRP C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC(=O)c1cccc(C[N@H+](C)Cc2ccccc2)c1 ZINC000583929222 507053882 /nfs/dbraw/zinc/05/38/82/507053882.db2.gz SUTFYGHJONQQOP-HMFYCAOWSA-N 2 0 365.521 3.435 20 0 FGADRP O[C@@H](C[NH2+]C1CC[NH+](C2CCC2)CC1)CO[C@@H]1CCCc2ccccc21 ZINC000583930224 507056085 /nfs/dbraw/zinc/05/60/85/507056085.db2.gz UUNHLPCPUFYYFB-RBBKRZOGSA-N 2 0 358.526 3.048 20 0 FGADRP CCC(CC)[C@@H](CNC(=O)N1CC[C@H]([NH+]2CCCCC2)C1)[NH+]1CCCC1 ZINC000594286664 507062777 /nfs/dbraw/zinc/06/27/77/507062777.db2.gz VWZZEQYXVRXDCQ-VQTJNVASSA-N 2 0 364.578 3.157 20 0 FGADRP CCC(CC)[C@H](CNC(=O)N1CC[C@@H]([NH+]2CCCCC2)C1)[NH+]1CCCC1 ZINC000594286663 507063967 /nfs/dbraw/zinc/06/39/67/507063967.db2.gz VWZZEQYXVRXDCQ-UXHICEINSA-N 2 0 364.578 3.157 20 0 FGADRP CCOC(=O)C1([C@H](C)[NH2+]C2(c3c(F)cccc3F)CCC2)CC[NH2+]CC1 ZINC000600714948 507078219 /nfs/dbraw/zinc/07/82/19/507078219.db2.gz VZVHBBLXNLVUBS-AWEZNQCLSA-N 2 0 366.452 3.255 20 0 FGADRP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)CCCn2ccnc2)C1 ZINC000591139461 507128710 /nfs/dbraw/zinc/12/87/10/507128710.db2.gz WVRVFSZSYYCRDH-RTBURBONSA-N 2 0 368.525 3.458 20 0 FGADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)N1CCC[NH+](Cc2ccccc2C)CC1 ZINC000600894799 507164482 /nfs/dbraw/zinc/16/44/82/507164482.db2.gz VKXLNHTZAPCMRQ-NRFANRHFSA-N 2 0 372.557 3.087 20 0 FGADRP CC[NH+](CC)CCCNC(=O)[C@H](C)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000601043432 507240379 /nfs/dbraw/zinc/24/03/79/507240379.db2.gz ZDOAUSMLZHLWOC-IBGZPJMESA-N 2 0 359.558 3.178 20 0 FGADRP CC[NH+]1CCN(c2ccc(C(=O)Nc3ccccc3C[NH+](C)C)cc2)CC1 ZINC000584266207 507244863 /nfs/dbraw/zinc/24/48/63/507244863.db2.gz ZSQKADIKNFECHV-UHFFFAOYSA-N 2 0 366.509 3.142 20 0 FGADRP CC(C)[C@@H](CNC(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1)[NH+]1CCCC1 ZINC000591538301 507281932 /nfs/dbraw/zinc/28/19/32/507281932.db2.gz FFGNSVQTGXXYRR-NHCUHLMSSA-N 2 0 372.557 3.243 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N1CCC[C@@H]1C[NH+]1CCCC1)c1ccccc1 ZINC000591543848 507285126 /nfs/dbraw/zinc/28/51/26/507285126.db2.gz PTMJCEJKFJFBNL-NHCUHLMSSA-N 2 0 372.557 3.339 20 0 FGADRP C[N@H+](CCCNC(=O)N1CCC[C@H]1C[NH+]1CCCCC1)C1CCCCC1 ZINC000591558214 507292640 /nfs/dbraw/zinc/29/26/40/507292640.db2.gz ATQLIPIJRLHKFO-FQEVSTJZSA-N 2 0 364.578 3.301 20 0 FGADRP CC(C)[NH2+][C@@H]1CCCN(C(=O)NC[C@@H](c2ccccc2Cl)N(C)C)C1 ZINC000601215446 507298255 /nfs/dbraw/zinc/29/82/55/507298255.db2.gz DRRAQDJVAOJGTC-QAPCUYQASA-N 2 0 366.937 3.115 20 0 FGADRP CC[NH+](CC)Cc1ccccc1CNC(=O)N1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000601222686 507300902 /nfs/dbraw/zinc/30/09/02/507300902.db2.gz KESMABCGJYOHJB-HXUWFJFHSA-N 2 0 360.546 3.200 20 0 FGADRP CC[NH+]1CCN(Cc2ccc(C[NH2+][C@H](C)CSCCF)cc2)CC1 ZINC000595012540 507354504 /nfs/dbraw/zinc/35/45/04/507354504.db2.gz PPCOLXAPFNSWEN-QGZVFWFLSA-N 2 0 353.551 3.005 20 0 FGADRP C[C@H](OC[C@H](O)C[NH2+]CC[C@@H]1CCC[N@H+](C)C1)c1ccc(Cl)cc1 ZINC000584464671 507359619 /nfs/dbraw/zinc/35/96/19/507359619.db2.gz CSXBGSNNFFSPQQ-TXPKVOOTSA-N 2 0 354.922 3.100 20 0 FGADRP C[C@@H]([NH2+]CC1CC[NH+](Cc2ccncc2)CC1)c1ccc([S@](C)=O)cc1 ZINC000595067857 507375782 /nfs/dbraw/zinc/37/57/82/507375782.db2.gz QGIQUSSIMJWXNG-QUGAMOGWSA-N 2 0 371.550 3.382 20 0 FGADRP CCC[NH2+][C@@H](C)C(=O)NC[C@@H](c1ccccc1)N1CCc2sccc2C1 ZINC000584526688 507394468 /nfs/dbraw/zinc/39/44/68/507394468.db2.gz DHOBCZCGQVTPLJ-LPHOPBHVSA-N 2 0 371.550 3.352 20 0 FGADRP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000595657236 507617021 /nfs/dbraw/zinc/61/70/21/507617021.db2.gz CLCQGEJWLSXOQD-VQTJNVASSA-N 2 0 360.546 3.243 20 0 FGADRP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]C[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)C[C@@H]1C ZINC000592402782 507641118 /nfs/dbraw/zinc/64/11/18/507641118.db2.gz JNLXCVYQPLAMFC-YNWKUBOOSA-N 2 0 358.526 3.289 20 0 FGADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)C[C@@H]1C ZINC000592402780 507641880 /nfs/dbraw/zinc/64/18/80/507641880.db2.gz JNLXCVYQPLAMFC-OSTWSGHESA-N 2 0 358.526 3.289 20 0 FGADRP Cc1ccc([C@H](C[NH2+]Cc2ccc(OCC[NH+](C)C)cc2)N2CCCC2)o1 ZINC000585816657 507646754 /nfs/dbraw/zinc/64/67/54/507646754.db2.gz MUOQISGVYKDLGY-NRFANRHFSA-N 2 0 371.525 3.455 20 0 FGADRP Cc1cccc(NC(=O)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)c1C ZINC000623068860 568158129 /nfs/dbraw/zinc/15/81/29/568158129.db2.gz NBUAODZBJLNHCE-UHFFFAOYSA-N 2 0 366.509 3.418 20 0 FGADRP C[NH+](C)Cc1cccc(NC(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)c1 ZINC000623073228 568258921 /nfs/dbraw/zinc/25/89/21/568258921.db2.gz PDECICDEYHCPTJ-WOJBJXKFSA-N 2 0 370.472 3.155 20 0 FGADRP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000820706392 606914960 /nfs/dbraw/zinc/91/49/60/606914960.db2.gz ZQFCEABWNJIDNZ-KRWDZBQOSA-N 2 0 368.529 3.343 20 0 FGADRP C[C@@H]([NH2+]CCCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824877611 609133742 /nfs/dbraw/zinc/13/37/42/609133742.db2.gz ZEZIVGXMRNRQBM-OWCLPIDISA-N 2 0 374.508 3.415 20 0 FGADRP CC(C)[NH+](CCNC(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1)C(C)C ZINC000047683298 695866315 /nfs/dbraw/zinc/86/63/15/695866315.db2.gz ZIRWWHMCRHJQNT-KRWDZBQOSA-N 2 0 366.575 3.303 20 0 FGADRP CC(C)[NH+](CCNC(=O)NC[C@H](c1cccs1)[NH+]1CCCC1)C(C)C ZINC000047683300 695866407 /nfs/dbraw/zinc/86/64/07/695866407.db2.gz ZIRWWHMCRHJQNT-QGZVFWFLSA-N 2 0 366.575 3.303 20 0 FGADRP CN1CC[C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000090852903 700408277 /nfs/dbraw/zinc/40/82/77/700408277.db2.gz NMCNPUBPQHXAJM-LTDCPUDJSA-N 2 0 351.897 3.441 20 0 FGADRP O[C@H](C[NH+]1CCC(C[NH+]2CCOCC2)CC1)c1ccc(Cl)cc1Cl ZINC000135053747 704837269 /nfs/dbraw/zinc/83/72/69/704837269.db2.gz MYQAAQSRLRCBNE-GOSISDBHSA-N 2 0 373.324 3.071 20 0 FGADRP C[C@H]([NH2+]CCN1CC[NH+](Cc2ccccc2)CC1)c1cccnc1Cl ZINC000159341051 705220373 /nfs/dbraw/zinc/22/03/73/705220373.db2.gz PCLKMHMAWOLKGF-KRWDZBQOSA-N 2 0 358.917 3.203 20 0 FGADRP CC[NH+]1CCN(c2ccc(C[NH2+][C@H](C)CSC(C)(C)C)cn2)CC1 ZINC000159503929 705226060 /nfs/dbraw/zinc/22/60/60/705226060.db2.gz QULOQBOTISIXOS-MRXNPFEDSA-N 2 0 350.576 3.233 20 0 FGADRP C[C@H](C[C@H]1CCCN1C(=O)OC(C)(C)C)[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000177489244 705624681 /nfs/dbraw/zinc/62/46/81/705624681.db2.gz YEEPBEPURPZGRQ-SOLBZPMBSA-N 2 0 351.535 3.238 20 0 FGADRP C[NH+](C)CCOc1cccc(C[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)c1 ZINC000185275787 712690478 /nfs/dbraw/zinc/69/04/78/712690478.db2.gz CPOILRDKXNFAJY-UHFFFAOYSA-N 2 0 363.845 3.478 20 0 FGADRP CC(C)(C)CC[NH+]1CCN(C(=O)NC2CC[NH+](C(C)(C)C)CC2)CC1 ZINC000193831026 713501140 /nfs/dbraw/zinc/50/11/40/713501140.db2.gz UNFDTYWWFPIEPT-UHFFFAOYSA-N 2 0 352.567 3.013 20 0 FGADRP C[C@H](C[C@@H]1CCCN1C(=O)OC(C)(C)C)[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000246295885 713621225 /nfs/dbraw/zinc/62/12/25/713621225.db2.gz YEEPBEPURPZGRQ-NUJGCVRESA-N 2 0 351.535 3.238 20 0 FGADRP C[C@H](CC(=O)Nc1cccnc1Cl)[NH2+]CCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000246991717 713633914 /nfs/dbraw/zinc/63/39/14/713633914.db2.gz KFGXMGBPUXURKB-BZUAXINKSA-N 2 0 366.937 3.410 20 0 FGADRP Clc1cccc(-n2cc(C[N@@H+]3CCC4(C3)CC[NH2+]CC4)nn2)c1Cl ZINC000261997139 713716750 /nfs/dbraw/zinc/71/67/50/713716750.db2.gz KWBFJDCNWBQXJI-UHFFFAOYSA-N 2 0 366.296 3.150 20 0 FGADRP C[C@H](C[NH2+][C@@H]1CCCC[C@@H]1CNC(=O)OC(C)(C)C)C[NH+]1CCCC1 ZINC000301466924 713782155 /nfs/dbraw/zinc/78/21/55/713782155.db2.gz WMDNUBNEZFTKTJ-KZNAEPCWSA-N 2 0 353.551 3.391 20 0 FGADRP C[NH+]1CCN(C(C)(C)C[NH2+][C@@H]2CCc3cc(Br)ccc32)CC1 ZINC000315333780 713806632 /nfs/dbraw/zinc/80/66/32/713806632.db2.gz VNEFYMXGMQXHDD-QGZVFWFLSA-N 2 0 366.347 3.052 20 0 FGADRP O[C@@H]1[C@@H]([NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)CCCC1(F)F ZINC000414299993 714004026 /nfs/dbraw/zinc/00/40/26/714004026.db2.gz LDAAJZRYPXZFIN-IEWDOMPSSA-N 2 0 350.453 3.035 20 0 FGADRP C[C@H](O)[C@H]1C[C@@H](C)CC[NH+]1CCCCC[N@H+]1CC[C@@H](C)C[C@H]1[C@H](C)O ZINC000443322454 714031655 /nfs/dbraw/zinc/03/16/55/714031655.db2.gz UDXNKFINGNUEOR-FITZOCOBSA-N 2 0 354.579 3.119 20 0 FGADRP O=C(CC[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2)Nc1cc(Cl)ccc1Cl ZINC000521624610 714140844 /nfs/dbraw/zinc/14/08/44/714140844.db2.gz RJPWRRIVHNBPAN-KRWDZBQOSA-N 2 0 356.297 3.398 20 0 FGADRP CCCC[NH+]1CCC(NC(=O)NC[C@]2([NH+](C)C)CCC[C@@H](C)C2)CC1 ZINC000523335742 714228851 /nfs/dbraw/zinc/22/88/51/714228851.db2.gz JTYONCPCKXQNBI-XLIONFOSSA-N 2 0 352.567 3.061 20 0 FGADRP CC(C)[N@H+](C)CCNC(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000523600043 714242962 /nfs/dbraw/zinc/24/29/62/714242962.db2.gz CZQSKYZDEAYECG-SFHVURJKSA-N 2 0 366.937 3.116 20 0 FGADRP FC(F)(F)C1CC[NH+](C2CC(NC3CC[NH+](CC4CC4)CC3)C2)CC1 ZINC000525999134 714394955 /nfs/dbraw/zinc/39/49/55/714394955.db2.gz NVYLTIOBZDMIOI-UHFFFAOYSA-N 2 0 359.480 3.256 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)N1CCC[C@H](C[NH3+])C1)c1ccccc1Cl ZINC000577831378 714470135 /nfs/dbraw/zinc/47/01/35/714470135.db2.gz CUCQVQJXSNGEQV-QAPCUYQASA-N 2 0 366.937 3.103 20 0 FGADRP CC(C)[N@H+](C)CC1CCN(C(=O)NC[C@@H](c2cccs2)[NH+](C)C)CC1 ZINC000615616604 714539495 /nfs/dbraw/zinc/53/94/95/714539495.db2.gz ZMDZZEBZCRZDOQ-KRWDZBQOSA-N 2 0 366.575 3.113 20 0 FGADRP C[C@H](CNC(=O)N1CC[NH+](CCC(C)(C)C)CC1)[N@@H+]1CCCC[C@@H]1C ZINC000615672313 714543758 /nfs/dbraw/zinc/54/37/58/714543758.db2.gz UBNMRRUGZTYSHR-ZWKOTPCHSA-N 2 0 352.567 3.013 20 0 FGADRP CC1CCN(Cc2csc(NC(=O)CC[C@H]3CCC[NH2+]C3)n2)CC1 ZINC000621645211 715014165 /nfs/dbraw/zinc/01/41/65/715014165.db2.gz CQLWPDCGIBDWSY-OAHLLOKOSA-N 2 0 350.532 3.093 20 0 FGADRP Brc1cccc(CCC[NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)c1 ZINC000643469466 718035235 /nfs/dbraw/zinc/03/52/35/718035235.db2.gz XLEZHSBWLJPKRR-KZNAEPCWSA-N 2 0 367.331 3.128 20 0 FGADRP Brc1ccc2c(c1)OCCC[C@H]2[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000643534966 718038028 /nfs/dbraw/zinc/03/80/28/718038028.db2.gz GSTUFVSAJIRFQX-ZBFHGGJFSA-N 2 0 351.288 3.395 20 0 FGADRP CC1(C)CC(NC(=O)NC[C@@H]2CC[N@@H+]2C2CCCCC2)CC(C)(C)[NH2+]1 ZINC000623393309 715325579 /nfs/dbraw/zinc/32/55/79/715325579.db2.gz FLBSGJIXKRCWCN-KRWDZBQOSA-N 2 0 350.551 3.002 20 0 FGADRP C[C@H](C[NH2+][C@@H]1CCCC[C@H]1Sc1ccc(F)cc1)N1CC[NH+](C)CC1 ZINC000623888583 715424816 /nfs/dbraw/zinc/42/48/16/715424816.db2.gz MAIIPTGWRSIZKU-NSISKUIASA-N 2 0 365.562 3.455 20 0 FGADRP Cc1ccc(Br)cc1[C@@H](C)[NH2+][C@@H](C)CCN1CC[NH+](C)CC1 ZINC000623963403 715442022 /nfs/dbraw/zinc/44/20/22/715442022.db2.gz GQUFYOWFOZIGSW-JKSUJKDBSA-N 2 0 368.363 3.434 20 0 FGADRP C[C@@H]([NH2+]C[C@@H]1CCCN1CC(F)F)c1cccc(OCC[NH+](C)C)c1 ZINC000624094828 715470993 /nfs/dbraw/zinc/47/09/93/715470993.db2.gz OAIWCAGEDJTMEM-WBVHZDCISA-N 2 0 355.473 3.007 20 0 FGADRP C[C@H]([NH2+]C[C@H]1CCCN1CC(F)F)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000624096058 715471208 /nfs/dbraw/zinc/47/12/08/715471208.db2.gz SFRJGQNJUVCCFG-QXAKKESOSA-N 2 0 351.485 3.216 20 0 FGADRP C[NH+](C)C[C@H](NC(=O)NCCC1(C[NH3+])CC1)c1ccc(Cl)c(Cl)c1 ZINC000627109979 715997661 /nfs/dbraw/zinc/99/76/61/715997661.db2.gz SDJWKCZCJQISMW-HNNXBMFYSA-N 2 0 373.328 3.024 20 0 FGADRP C[NH+](C)CCCN(CCC[NH+](C)C)Cc1ccsc1Br ZINC000628277469 716134015 /nfs/dbraw/zinc/13/40/15/716134015.db2.gz UIRFBAKRKKFJBX-UHFFFAOYSA-N 2 0 362.381 3.216 20 0 FGADRP FC(F)(F)Cc1ccc(C[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)cc1 ZINC000631075262 716560256 /nfs/dbraw/zinc/56/02/56/716560256.db2.gz OUFXVDTYKFFJNK-QGZVFWFLSA-N 2 0 356.432 3.382 20 0 FGADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H](CO)c1cccc(C(F)(F)F)c1 ZINC000635006241 717139537 /nfs/dbraw/zinc/13/95/37/717139537.db2.gz XXXFAVWYHSLTOW-SJCJKPOMSA-N 2 0 353.388 3.252 20 0 FGADRP O=C(NC[C@H]1CCC[N@H+](Cc2cccs2)C1)[C@@H]1CC[NH+]1C1CCCC1 ZINC000635454185 717171821 /nfs/dbraw/zinc/17/18/21/717171821.db2.gz UNBJOAKZKHSFHS-APWZRJJASA-N 2 0 361.555 3.093 20 0 FGADRP C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CC[NH+]2C2CCCC2)[C@@H]1c1cccs1 ZINC000635602755 717180822 /nfs/dbraw/zinc/18/08/22/717180822.db2.gz JGCFTSQXWJPAAA-HHXXYDBFSA-N 2 0 361.555 3.264 20 0 FGADRP O=c1c(C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)cccn1C(F)F ZINC000637905602 717388934 /nfs/dbraw/zinc/38/89/34/717388934.db2.gz LNNVEWVQIYRURO-UHFFFAOYSA-N 2 0 353.457 3.331 20 0 FGADRP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](CC(C)(C)N2CCOCC2)CC1 ZINC000638154196 717414889 /nfs/dbraw/zinc/41/48/89/717414889.db2.gz RWWORXCDFDTING-IBGZPJMESA-N 2 0 351.579 3.074 20 0 FGADRP C[C@@H]([NH2+]C1CC[NH+](CC(C)(C)O)CC1)c1ccc(Br)cc1 ZINC000638291959 717431603 /nfs/dbraw/zinc/43/16/03/717431603.db2.gz UDKDAGYHORKDSZ-CYBMUJFWSA-N 2 0 355.320 3.335 20 0 FGADRP Cc1nc(-c2ccc(C[NH2+]C3CC[NH+](CC(C)(C)O)CC3)cc2)cs1 ZINC000638464198 717449842 /nfs/dbraw/zinc/44/98/42/717449842.db2.gz LFISPOZCEVFTFI-UHFFFAOYSA-N 2 0 359.539 3.443 20 0 FGADRP Cc1ccc(Br)cc1C[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000639088867 717513544 /nfs/dbraw/zinc/51/35/44/717513544.db2.gz MKCOKOCEUWODCY-UHFFFAOYSA-N 2 0 355.320 3.082 20 0 FGADRP OC[C@@H]1C[N@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C[C@H]1C(F)(F)F ZINC000640045684 717652806 /nfs/dbraw/zinc/65/28/06/717652806.db2.gz IHONOYYKFJLRNS-ZWKOTPCHSA-N 2 0 356.432 3.275 20 0 FGADRP C[C@H]([NH2+][C@@H]1CC[C@](O)(C(F)(F)F)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000644554946 718123603 /nfs/dbraw/zinc/12/36/03/718123603.db2.gz RVJRNTYRHKPINL-YSVLISHTSA-N 2 0 360.420 3.124 20 0 FGADRP C[C@H](C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)Oc1ccccc1Br ZINC000647789025 718377654 /nfs/dbraw/zinc/37/76/54/718377654.db2.gz WZPNFRPQKPQLSY-LXTVHRRPSA-N 2 0 353.304 3.194 20 0 FGADRP COc1ccc(Cl)cc1NC(=O)CC[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647901193 718385084 /nfs/dbraw/zinc/38/50/84/718385084.db2.gz KQFAPMRUPNOASB-HOCLYGCPSA-N 2 0 365.905 3.141 20 0 FGADRP C[C@H](NC(=O)C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1)c1ccc(Cl)cc1 ZINC000647976830 718391477 /nfs/dbraw/zinc/39/14/77/718391477.db2.gz URYGHSUBBTVDCM-SZMVWBNQSA-N 2 0 363.933 3.229 20 0 FGADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)[C@H]2C[NH2+]CCC2(F)F)cc1 ZINC000649288276 718501396 /nfs/dbraw/zinc/50/13/96/718501396.db2.gz HHCCCFOEDCFUJG-WMLDXEAASA-N 2 0 351.441 3.244 20 0 FGADRP CC1CC[NH+](C[C@H]2CCCN(C(=O)[C@@H]([NH3+])c3cccc(Cl)c3)C2)CC1 ZINC000649310898 718502728 /nfs/dbraw/zinc/50/27/28/718502728.db2.gz LLVFNEAEUTTZKF-APWZRJJASA-N 2 0 363.933 3.310 20 0 FGADRP CC(C)([NH3+])CCC(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000649324090 718503861 /nfs/dbraw/zinc/50/38/61/718503861.db2.gz RMHFQGSIHBKFJJ-UHFFFAOYSA-N 2 0 351.922 3.186 20 0 FGADRP C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)[C@@H]([NH3+])c2cccc(Cl)c2)C1 ZINC000649342906 718505785 /nfs/dbraw/zinc/50/57/85/718505785.db2.gz WVNUZGYUDYIYEJ-MOPGFXCFSA-N 2 0 357.885 3.073 20 0 FGADRP CC(C)C[N@H+](C)CCCNC(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000650566959 718699793 /nfs/dbraw/zinc/69/97/93/718699793.db2.gz NYHOGARCOSERAA-KRWDZBQOSA-N 2 0 366.575 3.162 20 0 FGADRP CCOc1c(Cl)cccc1C[N@@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000650707927 718717270 /nfs/dbraw/zinc/71/72/70/718717270.db2.gz QDICMGHYXICPAE-LESCRADOSA-N 2 0 352.906 3.457 20 0 FGADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@H+](Cc3ccccc3OC(F)(F)F)C2)C1 ZINC000650707131 718717704 /nfs/dbraw/zinc/71/77/04/718717704.db2.gz YVCYYNYUYYRMHR-UXLLHSPISA-N 2 0 358.404 3.304 20 0 FGADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2Cc2cc(Br)cs2)C1 ZINC000650722093 718719997 /nfs/dbraw/zinc/71/99/97/718719997.db2.gz KPAGCEJWMYUJFD-SNPRPXQTSA-N 2 0 359.333 3.371 20 0 FGADRP CC[C@H]([NH2+]C[C@@H](C)C[NH+]1CCCC1)c1cc(OC)c(OC)c(OC)c1 ZINC000652140968 718916432 /nfs/dbraw/zinc/91/64/32/718916432.db2.gz AUTOWJQMZFLBTD-WBVHZDCISA-N 2 0 350.503 3.485 20 0 FGADRP C[NH2+][C@@H]1CCCN(C(=O)Nc2ccc(SCC[NH+]3CCCC3)cc2)C1 ZINC000652612965 718965930 /nfs/dbraw/zinc/96/59/30/718965930.db2.gz GUTMEDFNJZGTRZ-QGZVFWFLSA-N 2 0 362.543 3.090 20 0 FGADRP [NH3+][C@@H]1CCC[C@H](NC(=O)Nc2ccc(SCC[NH+]3CCCC3)cc2)C1 ZINC000652613944 718966472 /nfs/dbraw/zinc/96/64/72/718966472.db2.gz ILHWAPPPGFFVGI-WBVHZDCISA-N 2 0 362.543 3.266 20 0 FGADRP CN(CC(C)(C)C[NH3+])C(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000652613470 718966511 /nfs/dbraw/zinc/96/65/11/718966511.db2.gz UVUCGSUEVHXLDU-UHFFFAOYSA-N 2 0 364.559 3.323 20 0 FGADRP C[N@@H+]1CC[C@H](CNC(=O)C[C@@H]2CCC[C@H]2[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000653154453 719018456 /nfs/dbraw/zinc/01/84/56/719018456.db2.gz RZPSXRZHDUPRCP-NDQWIJPBSA-N 2 0 367.896 3.106 20 0 FGADRP C[NH+](C)Cc1ccnc(N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC001164623350 719105192 /nfs/dbraw/zinc/10/51/92/719105192.db2.gz CNFQIXFCXCZVFK-SFTDATJTSA-N 2 0 350.510 3.244 20 0 FGADRP CC1CC[NH+]([C@H](CNC(=O)[C@H]2C[C@]23CCC[NH2+]C3)c2cccs2)CC1 ZINC000655442693 719293533 /nfs/dbraw/zinc/29/35/33/719293533.db2.gz VXJGJEPDIXHVRR-HLIPFELVSA-N 2 0 361.555 3.027 20 0 FGADRP O=C(Nc1ccc(SCC[NH+]2CCCC2)cc1)[C@@H]1C[C@@]12CCC[NH2+]C2 ZINC000655486352 719297932 /nfs/dbraw/zinc/29/79/32/719297932.db2.gz SOFJTSCUVBQRSP-AZUAARDMSA-N 2 0 359.539 3.203 20 0 FGADRP O=C(Nc1ccc(SCC[NH+]2CCCC2)cc1)[C@H]1C[C@@]12CCC[NH2+]C2 ZINC000655486355 719298233 /nfs/dbraw/zinc/29/82/33/719298233.db2.gz SOFJTSCUVBQRSP-UYAOXDASSA-N 2 0 359.539 3.203 20 0 FGADRP Cc1ccc(-c2ncc(C[NH2+]C[C@H](C)N3CC[NH+](C)CC3)s2)cc1C ZINC000655730244 719330911 /nfs/dbraw/zinc/33/09/11/719330911.db2.gz QOFMXVNWPOBHCF-KRWDZBQOSA-N 2 0 358.555 3.152 20 0 FGADRP C[C@@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000655805572 719342594 /nfs/dbraw/zinc/34/25/94/719342594.db2.gz JCMRMKNATYUMIT-NUJGCVRESA-N 2 0 364.555 3.394 20 0 FGADRP C[NH+](C)[C@H](CNC(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1)c1cccs1 ZINC000656551349 719407370 /nfs/dbraw/zinc/40/73/70/719407370.db2.gz JPMIUHMDLYHVFJ-NVXWUHKLSA-N 2 0 364.559 3.057 20 0 FGADRP Oc1cccc(C[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)c1Br ZINC000656784304 719470434 /nfs/dbraw/zinc/47/04/34/719470434.db2.gz ADLCDGVHLWQDJR-AWEZNQCLSA-N 2 0 353.304 3.366 20 0 FGADRP Cc1ncsc1-c1ccc(C[NH2+][C@H](C)CCN2CC[NH+](C)CC2)cc1 ZINC000657439189 719650291 /nfs/dbraw/zinc/65/02/91/719650291.db2.gz WKGUNYBNBAPPAJ-MRXNPFEDSA-N 2 0 358.555 3.234 20 0 FGADRP CC(C)(C)c1ncc(C[NH2+]CC2CC[NH+](C3CCOCC3)CC2)s1 ZINC000657535111 719667163 /nfs/dbraw/zinc/66/71/63/719667163.db2.gz FCYQJVCJNUYVJT-UHFFFAOYSA-N 2 0 351.560 3.421 20 0 FGADRP COc1ccc(C[NH2+]Cc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)c(Cl)c1 ZINC000657596190 719681080 /nfs/dbraw/zinc/68/10/80/719681080.db2.gz VQOGFTOOOQAKIL-GOSISDBHSA-N 2 0 360.885 3.205 20 0 FGADRP CCO[C@@H]1C[C@H]([NH2+]CC2CC[NH+](C3CCOCC3)CC2)C1(CC)CC ZINC000658067150 719750339 /nfs/dbraw/zinc/75/03/39/719750339.db2.gz KNFMIBKWFCLHGH-VQTJNVASSA-N 2 0 352.563 3.451 20 0 FGADRP C([NH2+][C@@H]1CCCC[C@@H]1[C@@H]1CCOC1)C1CC[NH+](C2CCOCC2)CC1 ZINC000658071459 719751579 /nfs/dbraw/zinc/75/15/79/719751579.db2.gz XDJXXYXGFOZMRQ-HMXCVIKNSA-N 2 0 350.547 3.062 20 0 FGADRP CC1CC[NH+]([C@H](CNC(=O)C2([NH3+])CC3(CCC3)C2)c2cccs2)CC1 ZINC000659262246 719885736 /nfs/dbraw/zinc/88/57/36/719885736.db2.gz HEFLSDDJUMOXRS-MRXNPFEDSA-N 2 0 361.555 3.299 20 0 FGADRP C[NH+](C)[C@@H](CNC(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1)c1ccsc1 ZINC000660312051 720027636 /nfs/dbraw/zinc/02/76/36/720027636.db2.gz NQKXRSCKJDCTSN-WMZOPIPTSA-N 2 0 364.559 3.057 20 0 FGADRP C[C@H](OC[C@@H](O)C[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1)c1ccc(Cl)cc1 ZINC000660657644 720092471 /nfs/dbraw/zinc/09/24/71/720092471.db2.gz ZAKLTRIATHRCHB-VDGAXYAQSA-N 2 0 366.933 3.196 20 0 FGADRP CC[C@H]([NH2+]C[C@@H]1CCC2(C[NH2+]C2)O1)c1cc(F)cc(Br)c1 ZINC000662280847 720409033 /nfs/dbraw/zinc/40/90/33/720409033.db2.gz GIXYAWQMWCUGBC-GJZGRUSLSA-N 2 0 357.267 3.150 20 0 FGADRP COc1cccc(SCC[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)c1 ZINC000662285194 720409828 /nfs/dbraw/zinc/40/98/28/720409828.db2.gz ZHFFTNQTLXHJDB-LZQZEXGQSA-N 2 0 350.528 3.148 20 0 FGADRP COc1cc(Cl)c(C)cc1NC(=O)C[N@@H+]1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000662313731 720414034 /nfs/dbraw/zinc/41/40/34/720414034.db2.gz YWAANUGQILDZSG-CXAGYDPISA-N 2 0 367.921 3.435 20 0 FGADRP O=C(Nc1cccc(C[NH+]2CCSCC2)c1)c1cc2c(s1)CC[NH2+]C2 ZINC000662426450 720426889 /nfs/dbraw/zinc/42/68/89/720426889.db2.gz ZGOFMUQBOOQLJP-UHFFFAOYSA-N 2 0 373.547 3.195 20 0 FGADRP O=C(Nc1ccc(SCC[NH+]2CCCC2)cc1)C1([NH2+]C2CC2)CCC1 ZINC000662831889 720462173 /nfs/dbraw/zinc/46/21/73/720462173.db2.gz SMNCBECLBIDEPP-UHFFFAOYSA-N 2 0 359.539 3.488 20 0 FGADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]CC1(Cc2ccc(Br)cc2)CC1 ZINC000665264711 720748675 /nfs/dbraw/zinc/74/86/75/720748675.db2.gz GRIFFTFOICQBSM-IAOVAPTHSA-N 2 0 367.331 3.114 20 0 FGADRP CCSc1ccccc1[C@H](C)[NH2+]C1CCN(C(=O)CCC[NH2+]C)CC1 ZINC000665287291 720750197 /nfs/dbraw/zinc/75/01/97/720750197.db2.gz HLHFTOPFCZSDEP-INIZCTEOSA-N 2 0 363.571 3.440 20 0 FGADRP C[NH2+]CCCC(=O)N1CCC([NH2+][C@H](C)[C@H](C)c2ccc(Cl)cc2)CC1 ZINC000665288913 720750747 /nfs/dbraw/zinc/75/07/47/720750747.db2.gz AQAUFFNCZTVWML-JKSUJKDBSA-N 2 0 365.949 3.412 20 0 FGADRP COc1cc(C[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)ccc1OCC(F)(F)F ZINC000666995449 721010839 /nfs/dbraw/zinc/01/08/39/721010839.db2.gz NZGWLODGLJXBLW-CQSZACIVSA-N 2 0 358.404 3.401 20 0 FGADRP CC(C)[NH+]1CCN(C2CC[NH+](Cc3cc4ccncc4s3)CC2)CC1 ZINC000667689074 721159338 /nfs/dbraw/zinc/15/93/38/721159338.db2.gz NMQOWMQDZOZNFB-UHFFFAOYSA-N 2 0 358.555 3.287 20 0 FGADRP Fc1cccc(O[C@H]2C[C@H]3CN(c4cc5[nH]ccc5c[nH+]4)CC[N@@H+]3C2)c1 ZINC001164898116 721516252 /nfs/dbraw/zinc/51/62/52/721516252.db2.gz HTXNBLIDXJTBHV-WMZOPIPTSA-N 2 0 352.413 3.044 20 0 FGADRP CN(C)c1cccc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)[nH+]1 ZINC001165022099 721802787 /nfs/dbraw/zinc/80/27/87/721802787.db2.gz HVJMVHOHKZHALM-YSIASYRMSA-N 2 0 365.525 3.280 20 0 FGADRP CC(C)[NH+]1CCN(C2CC[NH+](Cc3cnc(C4CCC4)s3)CC2)CC1 ZINC000678295839 721950279 /nfs/dbraw/zinc/95/02/79/721950279.db2.gz INFUULCBCIYHRT-UHFFFAOYSA-N 2 0 362.587 3.401 20 0 FGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+][C@@H](C)CCCCO)CC1 ZINC000679341022 722024056 /nfs/dbraw/zinc/02/40/56/722024056.db2.gz WBCOPNFHAUMBPV-DLBZAZTESA-N 2 0 351.510 3.169 20 0 FGADRP C[C@H]([NH2+][C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)C1CC[NH+](C)CC1 ZINC000679366102 722025206 /nfs/dbraw/zinc/02/52/06/722025206.db2.gz JQRURQFXFCSSJE-YVEFUNNKSA-N 2 0 370.324 3.419 20 0 FGADRP Cc1nc(N2CCC[C@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)cc(N(C)C)[nH+]1 ZINC001164992885 722192903 /nfs/dbraw/zinc/19/29/03/722192903.db2.gz BZHPYPCXGRVLQQ-NRFANRHFSA-N 2 0 369.488 3.235 20 0 FGADRP CC(C)[NH+]1CCC([N@H+](C)C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000729267974 722458548 /nfs/dbraw/zinc/45/85/48/722458548.db2.gz CSMSPDFYVSVZML-QGZVFWFLSA-N 2 0 353.551 3.438 20 0 FGADRP O[C@H](COCc1ccccc1Cl)C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000738881418 722531877 /nfs/dbraw/zinc/53/18/77/722531877.db2.gz IQJKRRUHFBXQBL-MOPGFXCFSA-N 2 0 366.933 3.168 20 0 FGADRP CN1CCC([NH+]2CCC(CC[N@H+](C)C[C@@H]3CC3(Cl)Cl)CC2)CC1 ZINC000750984532 722788886 /nfs/dbraw/zinc/78/88/86/722788886.db2.gz SBVXGZOUIXRZOG-INIZCTEOSA-N 2 0 362.389 3.308 20 0 FGADRP C[C@@H]1[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)CCCN1C(=O)OC(C)(C)C ZINC000796952963 723660956 /nfs/dbraw/zinc/66/09/56/723660956.db2.gz JUGRTGXNQMOOBR-ZKXLYKBJSA-N 2 0 351.535 3.237 20 0 FGADRP C[N@H+](CCC1CCN(C(=O)OC(C)(C)C)CC1)C[C@@H]1CCC[NH+](C)C1 ZINC000768547176 723661385 /nfs/dbraw/zinc/66/13/85/723661385.db2.gz RCIUBOFIPFTQTH-GOSISDBHSA-N 2 0 353.551 3.297 20 0 FGADRP C[NH+](C)CCOc1ccccc1C[NH2+][C@@H]1CC[C@@H]2SCCS[C@@H]12 ZINC000775383150 723987437 /nfs/dbraw/zinc/98/74/37/723987437.db2.gz VEXHNVTXQPPSBL-NJAFHUGGSA-N 2 0 352.569 3.096 20 0 FGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]C[C@@H](O)c2ccc(Cl)cc2)[C@H](C)C1 ZINC000787302211 725024225 /nfs/dbraw/zinc/02/42/25/725024225.db2.gz HJWIQEONDUBUMR-ATZDWAIDSA-N 2 0 354.922 3.100 20 0 FGADRP CCC[NH+]1CCC([NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)CC[C@@H]2C)CC1 ZINC000788500383 725068316 /nfs/dbraw/zinc/06/83/16/725068316.db2.gz BWCIRQPEUIVSTI-FUHWJXTLSA-N 2 0 353.551 3.486 20 0 FGADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)C2CN(C(=O)OC(C)(C)C)C2)C1 ZINC000788671625 725080300 /nfs/dbraw/zinc/08/03/00/725080300.db2.gz MYSPBFHUYYLDSY-DLBZAZTESA-N 2 0 353.551 3.199 20 0 FGADRP O[C@@H]1CC[N@H+](Cc2ccccc2C[NH2+][C@H]2CCc3nc(Cl)ccc32)C1 ZINC000806157434 725118739 /nfs/dbraw/zinc/11/87/39/725118739.db2.gz FVOGJLGYFPLEBK-AEFFLSMTSA-N 2 0 357.885 3.079 20 0 FGADRP CC(C)(C)OC(=O)N(CC[NH2+]CC1CC[NH+](C2CC2)CC1)C(C)(C)C ZINC000809656347 725256519 /nfs/dbraw/zinc/25/65/19/725256519.db2.gz ZMCWWNDJOGSSBN-UHFFFAOYSA-N 2 0 353.551 3.486 20 0 FGADRP CC[N@H+](CCC[NH+]1CCCC1)C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000809750461 725264916 /nfs/dbraw/zinc/26/49/16/725264916.db2.gz XCXFBQZZHSNNQJ-SFHVURJKSA-N 2 0 353.551 3.441 20 0 FGADRP CC1(C)[C@@H](O)CC[NH+]1CCCCCCCCC[N@H+]1CC[C@H](O)C1(C)C ZINC000812868723 726819619 /nfs/dbraw/zinc/81/96/19/726819619.db2.gz MIAJAQGZFPVFSO-OALUTQOASA-N 2 0 354.579 3.408 20 0 FGADRP O=C(C[NH2+]Cc1ccc(SC(F)F)cc1)NCC[NH+]1CCCCCC1 ZINC000816620723 727181573 /nfs/dbraw/zinc/18/15/73/727181573.db2.gz IHKRULQPLPPIEU-UHFFFAOYSA-N 2 0 371.497 3.083 20 0 FGADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C[C@H](O)c1ccccc1Br ZINC000817935901 727288706 /nfs/dbraw/zinc/28/87/06/727288706.db2.gz OVOOMLIPIAAEKE-CPUCHLNUSA-N 2 0 355.320 3.383 20 0 FGADRP C[C@H]([NH2+]Cc1ccc(CC[NH3+])cc1)c1cc(Br)ncc1F ZINC000817949483 727289205 /nfs/dbraw/zinc/28/92/05/727289205.db2.gz RNCOIIOPJUIOHC-NSHDSACASA-N 2 0 352.251 3.335 20 0 FGADRP C[C@@H](C[NH2+]C[C@H](O)c1ccc(OC(F)(F)F)cc1)C[NH+]1CCCCC1 ZINC000818968987 727332476 /nfs/dbraw/zinc/33/24/76/727332476.db2.gz IGPMLOYJXDQNEH-YOEHRIQHSA-N 2 0 360.420 3.330 20 0 FGADRP C[NH+](C)CCOc1cccc(C[NH2+]C[C@H](O)c2ccc(F)cc2Cl)c1 ZINC000819011654 727337822 /nfs/dbraw/zinc/33/78/22/727337822.db2.gz UXMSJFSKCVKDKS-IBGZPJMESA-N 2 0 366.864 3.243 20 0 FGADRP C[NH+](C)CC1CCC([NH2+]C[C@@H](O)c2ccc(OC(F)(F)F)cc2)CC1 ZINC000819185360 727355806 /nfs/dbraw/zinc/35/58/06/727355806.db2.gz NEZFJYLTNYXPAT-PUJMQQBBSA-N 2 0 360.420 3.329 20 0 FGADRP C[NH+](C)CCc1ccc(C[NH2+]C[C@H](O)c2ccc(Cl)c(F)c2)cc1 ZINC000819251896 727361594 /nfs/dbraw/zinc/36/15/94/727361594.db2.gz MEALZBPFEKLNFQ-IBGZPJMESA-N 2 0 350.865 3.406 20 0 FGADRP CC(C)(C[NH2+]C[C@@H](O)c1cccc(Br)c1)C[NH+]1CCCC1 ZINC000819258940 727362207 /nfs/dbraw/zinc/36/22/07/727362207.db2.gz FJHKKFITUGYDTG-MRXNPFEDSA-N 2 0 355.320 3.194 20 0 FGADRP O[C@H](C[NH2+]CC1CC[NH+](C2CC2)CC1)c1ccc(F)c(Br)c1 ZINC000819268282 727362858 /nfs/dbraw/zinc/36/28/58/727362858.db2.gz REKGWWPOSHUAOV-QGZVFWFLSA-N 2 0 371.294 3.086 20 0 FGADRP CSC1(C[NH2+]C[C@H](O)c2cccc(C(F)(F)F)c2)CC[NH+](C)CC1 ZINC000819320880 727366993 /nfs/dbraw/zinc/36/69/93/727366993.db2.gz GLMREYQQEULFBC-HNNXBMFYSA-N 2 0 362.461 3.156 20 0 FGADRP C[N@H+](CCCC[NH2+]C[C@@](C)(O)c1ccc(Br)cc1F)C1CC1 ZINC000819362752 727371149 /nfs/dbraw/zinc/37/11/49/727371149.db2.gz RDAGLRXDIDYRBD-QGZVFWFLSA-N 2 0 373.310 3.260 20 0 FGADRP C[N@@H+]1CCC[C@@H](CC[NH2+]C[C@@](C)(O)c2ccc(Br)cc2F)C1 ZINC000819366072 727371287 /nfs/dbraw/zinc/37/12/87/727371287.db2.gz ICHAOCVJNGPZNZ-SUMWQHHRSA-N 2 0 373.310 3.117 20 0 FGADRP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCCCC[C@H]1C[C@@H](O)c1cccs1 ZINC000821387742 729082538 /nfs/dbraw/zinc/08/25/38/729082538.db2.gz WTOOGTAYDRFMJY-OKZBNKHCSA-N 2 0 354.560 3.117 20 0 FGADRP C[C@@H]1C[C@@H](C[N@H+](C)C[C@H]2CCC[NH+](C)C2)CCN1C(=O)OC(C)(C)C ZINC000823409285 729277545 /nfs/dbraw/zinc/27/75/45/729277545.db2.gz WVDKYUJXTDSDKH-SQNIBIBYSA-N 2 0 353.551 3.296 20 0 FGADRP CC[NH+]1CCC(C[NH2+]C[C@H]2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)CC1 ZINC000823813279 729306173 /nfs/dbraw/zinc/30/61/73/729306173.db2.gz YVFOWBLQROQPQQ-WMZOPIPTSA-N 2 0 353.551 3.344 20 0 FGADRP C[C@H]1C[C@H](C[NH2+]CC2(C)CC[NH+](C)CC2)CCN1C(=O)OC(C)(C)C ZINC000824131581 729320898 /nfs/dbraw/zinc/32/08/98/729320898.db2.gz WAKIZHAFROFRKU-DLBZAZTESA-N 2 0 353.551 3.344 20 0 FGADRP CC[NH+](CC)CCC[C@@H](C)NC(=O)c1sc(C2CC[NH2+]CC2)nc1C ZINC000876707806 736135132 /nfs/dbraw/zinc/13/51/32/736135132.db2.gz ASZIQJJVPXYEAM-CQSZACIVSA-N 2 0 366.575 3.159 20 0 FGADRP O[C@@H](C[NH2+]C1CC[NH+](C2CCCC2)CC1)c1ccccc1Br ZINC000825343954 729379766 /nfs/dbraw/zinc/37/97/66/729379766.db2.gz SDELKBKGDURSKF-SFHVURJKSA-N 2 0 367.331 3.479 20 0 FGADRP C[N@H+](CCN1CC[NH+](C[C@]2(C)CC2(Cl)Cl)CC1)Cc1ccccc1 ZINC000827777891 729434654 /nfs/dbraw/zinc/43/46/54/729434654.db2.gz JURKOIUDSQSLEW-SFHVURJKSA-N 2 0 370.368 3.320 20 0 FGADRP C[N@@H+]1CC[C@H](CNC(=O)CCCCCC[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000831480910 729645383 /nfs/dbraw/zinc/64/53/83/729645383.db2.gz JMBDHADBXTWNDN-BEFAXECRSA-N 2 0 369.912 3.497 20 0 FGADRP C[C@](O)(C[NH2+]CCC[NH+]1CCCCC1)c1ccc(Br)cc1F ZINC000834353032 729795789 /nfs/dbraw/zinc/79/57/89/729795789.db2.gz AYIMSAXRTNDJOV-KRWDZBQOSA-N 2 0 373.310 3.261 20 0 FGADRP C[C@@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000840810121 730177642 /nfs/dbraw/zinc/17/76/42/730177642.db2.gz QBVRVWDTVQKFHU-IAGOWNOFSA-N 2 0 353.551 3.344 20 0 FGADRP C[C@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000840810122 730177678 /nfs/dbraw/zinc/17/76/78/730177678.db2.gz QBVRVWDTVQKFHU-IRXDYDNUSA-N 2 0 353.551 3.344 20 0 FGADRP CCCCn1nc(C)c(C[NH+]2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)c1Cl ZINC000841100367 730211057 /nfs/dbraw/zinc/21/10/57/730211057.db2.gz WNIOJXLEXRNJCY-MSOLQXFVSA-N 2 0 368.953 3.363 20 0 FGADRP Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@@H]2[NH2+]CCCCCC[NH3+])cc1 ZINC000843341997 730609195 /nfs/dbraw/zinc/60/91/95/730609195.db2.gz MMHVGKUWGZSNGU-RBUKOAKNSA-N 2 0 352.544 3.189 20 0 FGADRP CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000843363612 730610795 /nfs/dbraw/zinc/61/07/95/730610795.db2.gz COVNJHCKSXIQJQ-UHFFFAOYSA-N 2 0 370.324 3.027 20 0 FGADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@H]2C[C@@H](C)CN(C(=O)OC(C)(C)C)C2)C1 ZINC000843399562 730614843 /nfs/dbraw/zinc/61/48/43/730614843.db2.gz KYYOJDWVIUMLJM-SQNIBIBYSA-N 2 0 353.551 3.342 20 0 FGADRP Cc1cc([C@@H]([NH3+])CC(=O)N(CC[NH+](C)C)c2ccccc2)cc(Cl)n1 ZINC000844178480 730690974 /nfs/dbraw/zinc/69/09/74/730690974.db2.gz WWHOWBSWRXHORM-KRWDZBQOSA-N 2 0 360.889 3.028 20 0 FGADRP CCOC(=O)C(F)(F)[C@H]1CCC[C@H]([NH2+]Cc2ccccc2C[NH2+]C)C1 ZINC000844904456 730787450 /nfs/dbraw/zinc/78/74/50/730787450.db2.gz MSPBDJSIYFFKLX-IRXDYDNUSA-N 2 0 354.441 3.253 20 0 FGADRP CC(C)(C)OC(=O)NCCC1CC([NH2+]C2CC([NH+]3CCCCC3)C2)C1 ZINC000845966436 730913324 /nfs/dbraw/zinc/91/33/24/730913324.db2.gz ITBBXXMQTDRZNE-UHFFFAOYSA-N 2 0 351.535 3.286 20 0 FGADRP C[N@@H+]1CC[C@H]([NH2+]CCC2(CNC(=O)OC(C)(C)C)CC2)[C@H]2CCC[C@H]21 ZINC000846200733 730936218 /nfs/dbraw/zinc/93/62/18/730936218.db2.gz ULVQDQMOCCJHDE-IXDOHACOSA-N 2 0 351.535 3.144 20 0 FGADRP [NH3+]C[C@H]1CCCN(C(=O)Nc2ccc(SCC[NH+]3CCCC3)cc2)C1 ZINC000846312543 730946195 /nfs/dbraw/zinc/94/61/95/730946195.db2.gz JIBMTVUXLRQPCL-MRXNPFEDSA-N 2 0 362.543 3.077 20 0 FGADRP Cn1c(C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)cnc1Cl ZINC000848547167 731179035 /nfs/dbraw/zinc/17/90/35/731179035.db2.gz LBFNTGJWPIJXPU-YTQUADARSA-N 2 0 358.917 3.464 20 0 FGADRP CC(C)(C)OC(=O)N[C@H]1CCC[C@H]([NH2+]CC2CC[NH+](C3CC3)CC2)C1 ZINC000848548800 731179754 /nfs/dbraw/zinc/17/97/54/731179754.db2.gz FWYNAGVCCJJTEW-IRXDYDNUSA-N 2 0 351.535 3.286 20 0 FGADRP CC[C@H](CNC(=[NH2+])NCCc1cccs1)[N@@H+]1CCc2ccccc2C1 ZINC000849063146 731225199 /nfs/dbraw/zinc/22/51/99/731225199.db2.gz YYFIRPDVGKVHMK-GOSISDBHSA-N 2 0 356.539 3.241 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC1CC(F)(c2cccc(Cl)c2)C1 ZINC000849095536 731228844 /nfs/dbraw/zinc/22/88/44/731228844.db2.gz BITSRMWYTKCOSG-UPTPFMHGSA-N 2 0 352.885 3.265 20 0 FGADRP CC1(C)CCC[N@H+](CCNC(=[NH2+])NCc2cccc(C(F)(F)F)c2)C1 ZINC000849105723 731229860 /nfs/dbraw/zinc/22/98/60/731229860.db2.gz VRRURWILLPCKCW-UHFFFAOYSA-N 2 0 356.436 3.441 20 0 FGADRP Cc1nn(C)c2nc(Cl)c(C[N@@H+]3CCC[C@H](C4CC[NH2+]CC4)C3)cc12 ZINC000849350521 731251552 /nfs/dbraw/zinc/25/15/52/731251552.db2.gz OZPASZSLESOQBE-HNNXBMFYSA-N 2 0 361.921 3.142 20 0 FGADRP CCOC(=O)NC1CCC([NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)CC1 ZINC000850456627 731358712 /nfs/dbraw/zinc/35/87/12/731358712.db2.gz ASXFINDMZTWGOE-MRLCAUJQSA-N 2 0 351.535 3.286 20 0 FGADRP CC(C)[C@@H](CC[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21)NC(=O)OC(C)(C)C ZINC000850566708 731374334 /nfs/dbraw/zinc/37/43/34/731374334.db2.gz QRFGFVQATXCHQE-BRSBDYLESA-N 2 0 353.551 3.388 20 0 FGADRP O[C@H](C[NH2+]CC1CC[NH+](Cc2ccccc2Cl)CC1)c1ccccn1 ZINC000853097710 731665284 /nfs/dbraw/zinc/66/52/84/731665284.db2.gz BALBEMVPEKUHAF-HXUWFJFHSA-N 2 0 359.901 3.270 20 0 FGADRP CN(CCC[NH+](C)C)CCNC(=O)c1sc2ccccc2c1Cl ZINC000855416313 731926445 /nfs/dbraw/zinc/92/64/45/731926445.db2.gz KJEPXWCRAJEZLY-UHFFFAOYSA-N 2 0 353.919 3.168 20 0 FGADRP COCC1=CC[NH+](CC[Si](C)(C)CC[N@H+]2CC=C(COC)CC2)CC1 ZINC000859258835 732298099 /nfs/dbraw/zinc/29/80/99/732298099.db2.gz USYHJHJHOYIAKE-UHFFFAOYSA-N 2 0 366.622 3.252 20 0 FGADRP CO[C@@H]1CC[N@H+](CC[Si](C)(C)CC[NH+]2CC[C@H](OC)[C@H](C)C2)C[C@H]1C ZINC000859324008 732310561 /nfs/dbraw/zinc/31/05/61/732310561.db2.gz GMAYZJNDKMIFNG-WTGUMLROSA-N 2 0 370.654 3.408 20 0 FGADRP C[C@@H]1C[C@@H](C[NH2+]C[C@H]2CCCC[N@H+](C)C2)CCN1C(=O)OC(C)(C)C ZINC000862482241 732839976 /nfs/dbraw/zinc/83/99/76/732839976.db2.gz FVKKEYPLSYVKHJ-FGTMMUONSA-N 2 0 353.551 3.344 20 0 FGADRP C[NH+]1CCC(C)(C[NH2+]C[C@H](CC(F)(F)F)NC(=O)OC(C)(C)C)CC1 ZINC000865524518 733220011 /nfs/dbraw/zinc/22/00/11/733220011.db2.gz WIDFFEUMFVQMQX-ZDUSSCGKSA-N 2 0 367.456 3.154 20 0 FGADRP CC(C)[C@@H](C[NH2+][C@@H](C)c1cc2c(ccnc2Cl)o1)N1CC[NH+](C)CC1 ZINC000866225674 733326307 /nfs/dbraw/zinc/32/63/07/733326307.db2.gz BJHLJXRFHVEORM-GOEBONIOSA-N 2 0 364.921 3.404 20 0 FGADRP C[C@@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)c1cc2c(ccnc2Cl)o1 ZINC000866259293 733329667 /nfs/dbraw/zinc/32/96/67/733329667.db2.gz LCSSKOYMKGRABD-CQSZACIVSA-N 2 0 364.921 3.405 20 0 FGADRP C[C@@H](C[NH2+][C@@H](C)c1cc2c(ccnc2Cl)o1)CN1CC[NH+](C)CC1 ZINC000866260592 733330576 /nfs/dbraw/zinc/33/05/76/733330576.db2.gz VSUFXAMVQWNHJL-KBPBESRZSA-N 2 0 350.894 3.015 20 0 FGADRP CC(C)[NH+]1CCC(CC[NH2+][C@H](C)c2ccc(NS(C)(=O)=O)cc2)CC1 ZINC000866467420 733353597 /nfs/dbraw/zinc/35/35/97/733353597.db2.gz HMACGWXROWQQQR-MRXNPFEDSA-N 2 0 367.559 3.219 20 0 FGADRP Cc1cccc2cc(C(=O)N3C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C3)sc21 ZINC000870018830 733801970 /nfs/dbraw/zinc/80/19/70/733801970.db2.gz XUIKCPIOBNZWBD-IAGOWNOFSA-N 2 0 359.539 3.021 20 0 FGADRP Cc1sc(C[NH2+][C@H]2CCN(C3CC[NH+](C)CC3)C2)cc1Br ZINC000873051345 735714679 /nfs/dbraw/zinc/71/46/79/735714679.db2.gz IVHCMSLZQPYPJC-ZDUSSCGKSA-N 2 0 372.376 3.077 20 0 FGADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1cccc(Cl)c1Br ZINC000873107361 735720105 /nfs/dbraw/zinc/72/01/05/735720105.db2.gz PHBGPYJKBDAUFQ-CYBMUJFWSA-N 2 0 374.754 3.218 20 0 FGADRP FC(F)(F)c1ccn([C@H]2CCC[N@H+](Cc3cc4c(s3)CC[NH2+]C4)C2)n1 ZINC000873207888 735737885 /nfs/dbraw/zinc/73/78/85/735737885.db2.gz FLRIOGGVYSKOPQ-ZDUSSCGKSA-N 2 0 370.444 3.446 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NCCC2CC[NH+](C(C)C)CC2)C[C@@H]1C ZINC000876029281 736049888 /nfs/dbraw/zinc/04/98/88/736049888.db2.gz BZZBULRDEVTYGK-HKUYNNGSSA-N 2 0 352.567 3.011 20 0 FGADRP C[NH+](C)CCOC1CC[NH+](Cc2cc3nc(Cl)ccc3s2)CC1 ZINC000876720101 736136313 /nfs/dbraw/zinc/13/63/13/736136313.db2.gz BIQBTSBSQSULQE-UHFFFAOYSA-N 2 0 353.919 3.492 20 0 FGADRP C[S@@](=O)CCC[NH2+]C[C@]1(C(C)(C)C)CC[N@H+](Cc2ccccc2)C1 ZINC000877051994 736181124 /nfs/dbraw/zinc/18/11/24/736181124.db2.gz QCRVPECTDCKQMU-HYBUGGRVSA-N 2 0 350.572 3.283 20 0 FGADRP Nc1c(Cl)cccc1C[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000877589397 736689798 /nfs/dbraw/zinc/68/97/98/736689798.db2.gz CKABOJSCNRKUSO-UHFFFAOYSA-N 2 0 359.901 3.039 20 0 FGADRP CCO[P@@](C)(=O)CC[C@H](C)[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000877620287 736694692 /nfs/dbraw/zinc/69/46/92/736694692.db2.gz FPHTYDOLTIKCDL-UPCLLVRISA-N 2 0 360.479 3.190 20 0 FGADRP C[NH+](C)C[C@@H]1CN(Cc2csc(Cl)c2Cl)C[C@H]1C[NH+](C)C ZINC000877669509 736701783 /nfs/dbraw/zinc/70/17/83/736701783.db2.gz MLAXLLZQRGCODR-VXGBXAGGSA-N 2 0 350.359 3.226 20 0 FGADRP CC(C)[NH+]1CCN(C2CC[NH+](C[C@H]3CC(C)(C)OC3(C)C)CC2)CC1 ZINC000878321813 736806373 /nfs/dbraw/zinc/80/63/73/736806373.db2.gz HVYJYRJHOBOSDD-GOSISDBHSA-N 2 0 351.579 3.071 20 0 FGADRP C[C@H]([NH2+]C[C@@H]1CCC2(CCOCC2)CO1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000878411587 736827879 /nfs/dbraw/zinc/82/78/79/736827879.db2.gz LVMDSQILNXDVMU-NSHGMRRFSA-N 2 0 350.547 3.205 20 0 FGADRP Cc1ccc(Cl)c(NC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c1C ZINC000879376049 736986011 /nfs/dbraw/zinc/98/60/11/736986011.db2.gz AQJBBVIQFGGOFK-HZPDHXFCSA-N 2 0 366.937 3.160 20 0 FGADRP COc1ccc(Cl)cc1NC(=O)CC[N@@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886869539 739312011 /nfs/dbraw/zinc/31/20/11/739312011.db2.gz BMJQQLZCQMODSQ-IBGZPJMESA-N 2 0 365.905 3.143 20 0 FGADRP C[C@H](c1nc2ccccc2s1)N1CCN(c2cc[nH+]cc2CO)CC1 ZINC000891586883 739918233 /nfs/dbraw/zinc/91/82/33/739918233.db2.gz KGJQFNWRECCTSM-CQSZACIVSA-N 2 0 354.479 3.067 20 0 FGADRP CC(C)(C)OC(=O)N[C@H]1C[C@@H](C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)C1 ZINC000892085614 739963065 /nfs/dbraw/zinc/96/30/65/739963065.db2.gz HHKIALFCWVXYBU-KSZLIROESA-N 2 0 351.535 3.240 20 0 FGADRP C[NH+]1CCC(C[NH2+]C2(c3cccc(Br)c3)CCOCC2)CC1 ZINC000892757816 740041123 /nfs/dbraw/zinc/04/11/23/740041123.db2.gz MHGPCTPKWFSKSU-UHFFFAOYSA-N 2 0 367.331 3.386 20 0 FGADRP CC[NH+]1CCC(C[NH2+]Cc2ccc(Br)cc2NC(C)=O)CC1 ZINC000892938664 740060479 /nfs/dbraw/zinc/06/04/79/740060479.db2.gz GWROBSYYRQQLRS-UHFFFAOYSA-N 2 0 368.319 3.229 20 0 FGADRP C[NH+](C)CCC1CC[NH+](C[C@H](CC(F)F)NC(=O)OC(C)(C)C)CC1 ZINC000893969029 742220409 /nfs/dbraw/zinc/22/04/09/742220409.db2.gz IDHBBJQBTSSEAT-HNNXBMFYSA-N 2 0 363.493 3.199 20 0 FGADRP C[NH+]1CCC(Oc2ccc(C[NH2+]Cc3cn4ccnc4s3)cc2)CC1 ZINC000894299378 742264725 /nfs/dbraw/zinc/26/47/25/742264725.db2.gz DVQHCDUUOMGOQW-UHFFFAOYSA-N 2 0 356.495 3.159 20 0 FGADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@H]2CCCC[N@H+](C)C2)C[C@@H]1C(F)(F)F ZINC000895587368 742429875 /nfs/dbraw/zinc/42/98/75/742429875.db2.gz QBJJSHZDJLZRPY-QXSJWSMHSA-N 2 0 364.452 3.218 20 0 FGADRP COc1ccc(Cl)cc1NC(=O)CC[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902336495 743734265 /nfs/dbraw/zinc/73/42/65/743734265.db2.gz MKGWXSQILJVJTO-CQSZACIVSA-N 2 0 353.894 3.045 20 0 FGADRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CC1(OCCO)CCC(C(F)F)CC1 ZINC000902434971 743743491 /nfs/dbraw/zinc/74/34/91/743743491.db2.gz QVQXOQZMASTPLW-WPZCVXBKSA-N 2 0 362.505 3.090 20 0 FGADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H](c1ccccc1F)C1CCOCC1 ZINC000903111170 743805794 /nfs/dbraw/zinc/80/57/94/743805794.db2.gz USZKABMCICJUGT-XLIONFOSSA-N 2 0 352.494 3.240 20 0 FGADRP [NH3+]Cc1cn([C@@H]2CCC[N@H+](Cc3cc(Cl)cc4ccccc43)C2)nn1 ZINC000903458711 743853181 /nfs/dbraw/zinc/85/31/81/743853181.db2.gz HUBUARJDRAXRJZ-GOSISDBHSA-N 2 0 355.873 3.381 20 0 FGADRP C[N@@H+](Cc1csc(Br)c1)C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903722745 743879214 /nfs/dbraw/zinc/87/92/14/743879214.db2.gz OJGGRBKILVJOKG-ZDUSSCGKSA-N 2 0 359.333 3.101 20 0 FGADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@H+](CCOc3ccc(F)c(Cl)c3)C2)C1 ZINC000903764290 743881399 /nfs/dbraw/zinc/88/13/99/743881399.db2.gz QWMIVAQHFFJACY-HBUWYVDXSA-N 2 0 356.869 3.076 20 0 FGADRP CCCN(C(=O)c1cccs1)C1CC[NH+](C[C@]2(C)CCC[NH2+]C2)CC1 ZINC000904346221 743948356 /nfs/dbraw/zinc/94/83/56/743948356.db2.gz RFAYFIILJAVHST-HXUWFJFHSA-N 2 0 363.571 3.454 20 0 FGADRP CC1([NH+]2CCC2)CCC([NH2+]C[C@H](O)c2ccccc2Br)CC1 ZINC000905603034 744035815 /nfs/dbraw/zinc/03/58/15/744035815.db2.gz XDFVBGGVJAHKOF-GMXGEUMGSA-N 2 0 367.331 3.479 20 0 FGADRP C[NH+](C)C1(C)CCN(C(=O)[C@@H]2CCCN2Cc2ccc(Cl)cc2)CC1 ZINC000913388048 757506758 /nfs/dbraw/zinc/50/67/58/757506758.db2.gz SZQQUNAWAFZPHL-SFHVURJKSA-N 2 0 363.933 3.247 20 0 FGADRP CCC(CC)[C@@H](CNC(=O)NC[C@H](C)[NH+]1CCCCC1)[NH+]1CCCC1 ZINC000918120694 758304478 /nfs/dbraw/zinc/30/44/78/758304478.db2.gz JZALJZMHPBQTBR-PKOBYXMFSA-N 2 0 352.567 3.061 20 0 FGADRP CCC(CC)[C@H](CNC(=O)NC[C@@H](C)[NH+]1CCCCC1)[NH+]1CCCC1 ZINC000918120693 758304557 /nfs/dbraw/zinc/30/45/57/758304557.db2.gz JZALJZMHPBQTBR-MJGOQNOKSA-N 2 0 352.567 3.061 20 0 FGADRP CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1cscc1Br)C2 ZINC000922390134 758911642 /nfs/dbraw/zinc/91/16/42/758911642.db2.gz KUPAXNISTHIDOP-WCVJEAGWSA-N 2 0 373.360 3.080 20 0 FGADRP C[C@H](c1ccc(S(C)(=O)=O)cc1)[N@H+](C)CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923300143 759098063 /nfs/dbraw/zinc/09/80/63/759098063.db2.gz BTOBLQTWVSWLLB-DUZACMNTSA-N 2 0 350.528 3.004 20 0 FGADRP C[C@H]1CC2(C[N@@H+]1C[C@@H](O)Cc1ccccc1C(F)(F)F)CC[NH2+]CC2 ZINC000923382566 759109070 /nfs/dbraw/zinc/10/90/70/759109070.db2.gz CXKLHDQCDRYLIX-HOCLYGCPSA-N 2 0 356.432 3.073 20 0 FGADRP Cc1nc(C[NH+]2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)sc1C(C)(C)C ZINC000923380498 759109207 /nfs/dbraw/zinc/10/92/07/759109207.db2.gz XCAKIZZFNGIUTR-HZPDHXFCSA-N 2 0 351.560 3.467 20 0 FGADRP Cc1ccc(-c2nc(C[NH+]3CCC4(CO[C@@H](C[NH3+])C4)CC3)cs2)cc1 ZINC000923450489 759120426 /nfs/dbraw/zinc/12/04/26/759120426.db2.gz VJIIELKBRMPLMD-GOSISDBHSA-N 2 0 357.523 3.448 20 0 FGADRP C[C@@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000923488977 759130760 /nfs/dbraw/zinc/13/07/60/759130760.db2.gz VNEXPWAABHETDC-QWRGUYRKSA-N 2 0 363.811 3.357 20 0 FGADRP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1)C1(Br)CC1 ZINC000924969442 759425744 /nfs/dbraw/zinc/42/57/44/759425744.db2.gz JBUWSJITWQORRL-AWEZNQCLSA-N 2 0 367.331 3.049 20 0 FGADRP O[C@@H](C[NH+]1CCC(C[NH2+]C2C[C@H]3CC[C@@H](C2)S3)CC1)c1ccccc1 ZINC000924981499 759427312 /nfs/dbraw/zinc/42/73/12/759427312.db2.gz XKBQPTHIPVRSJA-VTHDOGFWSA-N 2 0 360.567 3.448 20 0 FGADRP C[C@@H]([NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1cccc(Br)n1 ZINC000925440376 759488694 /nfs/dbraw/zinc/48/86/94/759488694.db2.gz RDYABJFKOZIJSM-QLFBSQMISA-N 2 0 370.335 3.384 20 0 FGADRP CCc1nc(CN2CCC(C[NH2+][C@H]3C[C@@H]([NH3+])CC(C)(C)C3)CC2)cs1 ZINC000925573959 759507177 /nfs/dbraw/zinc/50/71/77/759507177.db2.gz QTVKYGCRFGHCPE-SJORKVTESA-N 2 0 364.603 3.413 20 0 FGADRP CN1CC[C@H](C[NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)[C@H]1c1ccc(Cl)c(F)c1 ZINC000925629015 759515117 /nfs/dbraw/zinc/51/51/17/759515117.db2.gz JQWDQDZVIZCURR-BNEJOLLZSA-N 2 0 351.897 3.331 20 0 FGADRP CCS(=O)(=O)c1ccc(C[NH2+][C@H](CCC[NH3+])c2ccccc2)s1 ZINC000925654955 759518804 /nfs/dbraw/zinc/51/88/04/759518804.db2.gz SMVWLMFEXRJMQB-MRXNPFEDSA-N 2 0 352.525 3.112 20 0 FGADRP [NH3+][C@H]1C[C@H]2COC[C@@H](C1)[C@@H]2[NH2+]CC/C=C/c1ccc(Br)cc1 ZINC000925722919 759526089 /nfs/dbraw/zinc/52/60/89/759526089.db2.gz LJOQCLJEACNAQI-XVOVTVPYSA-N 2 0 365.315 3.194 20 0 FGADRP C[C@H](C[NH2+][C@H](CCC[NH3+])c1ccccc1)c1ccc(S(C)(=O)=O)cc1 ZINC000925731617 759527275 /nfs/dbraw/zinc/52/72/75/759527275.db2.gz CDDJMICBLLSCTJ-OXQOHEQNSA-N 2 0 360.523 3.263 20 0 FGADRP COc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]C[C@]12CCC[C@H]1[NH2+]CC2 ZINC000925839771 759555323 /nfs/dbraw/zinc/55/53/23/759555323.db2.gz DQBDKWORZKZMRP-OMWUSAIZSA-N 2 0 365.905 3.188 20 0 FGADRP CCC[C@H]([NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ccc(Cl)cc1 ZINC000925850391 759558523 /nfs/dbraw/zinc/55/85/23/759558523.db2.gz ADMVWGPXFDKTJE-SJORKVTESA-N 2 0 350.890 3.456 20 0 FGADRP C[C@@H]([NH2+]CC1CC[NH+](Cc2ccncc2)CC1)C1(Br)CC1 ZINC000926693304 759804234 /nfs/dbraw/zinc/80/42/34/759804234.db2.gz MCUJXUZKGYIKJJ-CQSZACIVSA-N 2 0 352.320 3.199 20 0 FGADRP CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+][C@@H](C)c3cc(O)cc(F)c3)C2)[C@H]1C(C)C ZINC000926878167 759835580 /nfs/dbraw/zinc/83/55/80/759835580.db2.gz FFOMVZLJCLSJQS-OBHGLWADSA-N 2 0 350.478 3.052 20 0 FGADRP CC(C)[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](CCc3ccns3)C2)ccn1 ZINC000931094344 760774188 /nfs/dbraw/zinc/77/41/88/760774188.db2.gz NCRPHWCRDQWCRC-GOSISDBHSA-N 2 0 360.527 3.074 20 0 FGADRP COc1cccc(OC)c1OCCCC[NH+]1CCC(C)([NH+](C)C)CC1 ZINC000931352887 760836128 /nfs/dbraw/zinc/83/61/28/760836128.db2.gz UHUKQHMEILOFLF-UHFFFAOYSA-N 2 0 350.503 3.279 20 0 FGADRP C[C@@H]([NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1)c1cccc(Cl)c1 ZINC000983705459 763659350 /nfs/dbraw/zinc/65/93/50/763659350.db2.gz VCDUVHIGWSGIOW-CQAXQDJESA-N 2 0 363.933 3.226 20 0 FGADRP C[C@@H]1[C@H](C(=O)N[C@H]2CC[C@H]([NH2+]Cc3ccccc3Cl)CC2)CC[N@@H+]1C ZINC001034647628 766243447 /nfs/dbraw/zinc/24/34/47/766243447.db2.gz OBLPXIKZDTWCCQ-VDHUWJSZSA-N 2 0 363.933 3.197 20 0 FGADRP CC[C@@H]1[C@@H](C(=O)N2CCC([C@H]3CC[NH+](C/C=C\Cl)C3)CC2)CC[N@@H+]1C ZINC001039133484 766292159 /nfs/dbraw/zinc/29/21/59/766292159.db2.gz SZBCUKCRMWYARK-SBQAAMFFSA-N 2 0 367.965 3.030 20 0 FGADRP C[C@H]1CCC[N@H+](CCCC[NH2+][C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000779013856 724381031 /nfs/dbraw/zinc/38/10/31/724381031.db2.gz JDLYOUQQVVFEMA-ZWKOTPCHSA-N 2 0 353.551 3.488 20 0 FGADRP Cc1[nH]c2ccc(C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)cc2c1C ZINC000071946590 221388653 /nfs/dbraw/zinc/38/86/53/221388653.db2.gz CLDHOLXCLHIKDZ-UHFFFAOYSA-N 2 0 358.530 3.130 20 0 FGADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H]1CCc2cc(Br)ccc21 ZINC000274617257 257374465 /nfs/dbraw/zinc/37/44/65/257374465.db2.gz LNKGDTAMPJCTGS-KBXCAEBGSA-N 2 0 366.347 3.052 20 0 FGADRP Cn1c2ccc(C(F)(F)F)cc2nc1C[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000567898802 505570612 /nfs/dbraw/zinc/57/06/12/505570612.db2.gz BPCCRYQEKQEUOI-ZIAGYGMSSA-N 2 0 366.431 3.414 20 0 FGADRP O=C(c1ccc2c[nH+]cn2c1)N1CCN(Cc2cccc3ccccc32)CC1 ZINC000573580244 505571516 /nfs/dbraw/zinc/57/15/16/505571516.db2.gz NTCCQQPTUZUZNO-UHFFFAOYSA-N 2 0 370.456 3.446 20 0 FGADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@H](CO)Cc1ccccc1C(F)(F)F ZINC000536848640 503739599 /nfs/dbraw/zinc/73/95/99/503739599.db2.gz ZEEPHVXBNWQLDN-BSXFFOKHSA-N 2 0 358.448 3.175 20 0 FGADRP COc1cccc([C@H](C)[NH+]2CCN(C[C@@H](C[NH3+])c3ccc(F)cc3)CC2)c1 ZINC000579598247 505583381 /nfs/dbraw/zinc/58/33/81/505583381.db2.gz WNMJQLRSXVXASK-FXAWDEMLSA-N 2 0 371.500 3.255 20 0 FGADRP C[NH2+]CCc1ccccc1C(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000567983131 505590207 /nfs/dbraw/zinc/59/02/07/505590207.db2.gz QXBFAJIOJDZQPR-XLIONFOSSA-N 2 0 371.550 3.323 20 0 FGADRP CC(C)C[N@@H+]1CC[C@@H](C[NH2+]C[C@@H](O)COc2cccc3ccccc32)C1 ZINC000579703234 505605418 /nfs/dbraw/zinc/60/54/18/505605418.db2.gz GVXMKVCFYYKHFR-AZUAARDMSA-N 2 0 356.510 3.147 20 0 FGADRP C[C@H](CCCC[NH3+])NC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000570938493 505616617 /nfs/dbraw/zinc/61/66/17/505616617.db2.gz DPLJMPQXXGAYFD-QAPCUYQASA-N 2 0 366.937 3.294 20 0 FGADRP C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC000576918169 505623561 /nfs/dbraw/zinc/62/35/61/505623561.db2.gz QBEPFPQNFJWKKG-SFHVURJKSA-N 2 0 357.542 3.267 20 0 FGADRP Brc1ccc(-c2nc(CN3CC[C@H]4C[NH2+]C[C@@H]4C3)co2)cc1 ZINC000579834191 505628965 /nfs/dbraw/zinc/62/89/65/505628965.db2.gz PVBWLFRMWDTSLB-UONOGXRCSA-N 2 0 362.271 3.145 20 0 FGADRP Cc1ccccc1[C@H]([NH3+])C(=O)Nc1cccc(CN2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000576940633 505629785 /nfs/dbraw/zinc/62/97/85/505629785.db2.gz VDGQXKDRXMLTML-FVJLSDCUSA-N 2 0 367.493 3.243 20 0 FGADRP CC1(C)C(=O)N[C@H]1C1CC[NH+](Cc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000573930903 505653931 /nfs/dbraw/zinc/65/39/31/505653931.db2.gz GCVMIEVNRRPEPU-NRFANRHFSA-N 2 0 369.553 3.409 20 0 FGADRP Cc1ncc2n1C[C@H](C(=O)N[C@H](C[N@H+](C)Cc1ccccc1)C(C)C)CC2 ZINC000580083220 505674187 /nfs/dbraw/zinc/67/41/87/505674187.db2.gz KTBJCURVHTYQJN-TZIWHRDSSA-N 2 0 368.525 3.027 20 0 FGADRP CSC1(C[NH2+]Cc2cc(Cl)c3c(c2)OCCO3)CC[NH+](C)CC1 ZINC000577151768 505674300 /nfs/dbraw/zinc/67/43/00/505674300.db2.gz PZQYCRLZVWVLPN-UHFFFAOYSA-N 2 0 356.919 3.028 20 0 FGADRP Cc1nc2ccccc2n1C[C@@H]1CCCN1C(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000568373119 505679101 /nfs/dbraw/zinc/67/91/01/505679101.db2.gz RGTQCIVVSIKZCE-FGTMMUONSA-N 2 0 369.513 3.036 20 0 FGADRP CC(C)[NH+]1CCC([NH2+]C[C@@H](O)CO[C@H](C)c2ccc(Cl)cc2)CC1 ZINC000571198316 505677867 /nfs/dbraw/zinc/67/78/67/505677867.db2.gz JLMITHAPMRTBJZ-DNVCBOLYSA-N 2 0 354.922 3.241 20 0 FGADRP O=C(C[N@@H+]1CCC[C@H]2CCC[C@@H]21)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000075768626 493776699 /nfs/dbraw/zinc/77/66/99/493776699.db2.gz UXIOPJMGQJDCCY-RTWAWAEBSA-N 2 0 355.526 3.163 20 0 FGADRP C[C@H]1C[NH+](Cc2ccccc2C[NH2+]Cc2cccc3c2OCO3)C[C@H](C)O1 ZINC000048816820 493847749 /nfs/dbraw/zinc/84/77/49/493847749.db2.gz UVVWFWBRXGMNCW-IRXDYDNUSA-N 2 0 368.477 3.314 20 0 FGADRP CC1CC[NH+](Cc2ccccc2CNC(=O)NC[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000574060078 505684206 /nfs/dbraw/zinc/68/42/06/505684206.db2.gz ROABKHVLZOZDRZ-RXVVDRJESA-N 2 0 372.557 3.235 20 0 FGADRP C[N@H+](CCOc1cccc(C[NH2+]C2CCSCC2)c1)C1CCOCC1 ZINC000076399891 493885454 /nfs/dbraw/zinc/88/54/54/493885454.db2.gz HCRZSFXSSNLXBF-UHFFFAOYSA-N 2 0 364.555 3.161 20 0 FGADRP C[C@@H](CNC(=O)NC1CC[NH+](CC2CCCC2)CC1)[N@@H+]1CCCC[C@H]1C ZINC000068887154 493889335 /nfs/dbraw/zinc/88/93/35/493889335.db2.gz SGKVCCIUQJIBEK-MSOLQXFVSA-N 2 0 364.578 3.203 20 0 FGADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@H]1C[C@@H]1c1cccc(Cl)c1 ZINC000049993817 493889856 /nfs/dbraw/zinc/88/98/56/493889856.db2.gz PRALUPUWSJBIPM-MOPGFXCFSA-N 2 0 365.949 3.176 20 0 FGADRP CC[N@H+](CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1)C1CCCC1 ZINC000076677808 493949450 /nfs/dbraw/zinc/94/94/50/493949450.db2.gz MSSCBVDGHLAZKA-UHFFFAOYSA-N 2 0 357.542 3.340 20 0 FGADRP CC[N@H+](C)Cc1cccc(CNC(=O)NC[C@H](C)[NH+]2CCCC[C@H]2C)c1 ZINC000061908316 493999411 /nfs/dbraw/zinc/99/94/11/493999411.db2.gz XKLSQLMGVYXMBO-MSOLQXFVSA-N 2 0 360.546 3.200 20 0 FGADRP CCCC[N@H+](C)CC1CC[NH+](CC(=O)NCCc2ccccc2C)CC1 ZINC000052209121 494011555 /nfs/dbraw/zinc/01/15/55/494011555.db2.gz SPWMINIPBMPSDP-UHFFFAOYSA-N 2 0 359.558 3.098 20 0 FGADRP C[NH+](C)CCN(Cc1cccs1)C(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000084412208 494071424 /nfs/dbraw/zinc/07/14/24/494071424.db2.gz USUWVDZBELABJU-IBGZPJMESA-N 2 0 374.554 3.124 20 0 FGADRP C[NH+]1CCC(O)(C[NH2+]Cc2cccc(OCc3ccccc3Cl)c2)CC1 ZINC000077449984 494085948 /nfs/dbraw/zinc/08/59/48/494085948.db2.gz XUUQIAZAJUDLQD-UHFFFAOYSA-N 2 0 374.912 3.465 20 0 FGADRP CC[N@H+](C)Cc1cccc(CNC(=O)NCC(C)(C)[NH+]2CCC[C@@H](C)C2)c1 ZINC000064226971 494107285 /nfs/dbraw/zinc/10/72/85/494107285.db2.gz YKRNHEFRVJGTRE-GOSISDBHSA-N 2 0 374.573 3.448 20 0 FGADRP Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)c1ccccc1CC[NH3+] ZINC000571293785 505700502 /nfs/dbraw/zinc/70/05/02/505700502.db2.gz JYBHAWFEJSBULA-UHFFFAOYSA-N 2 0 369.534 3.297 20 0 FGADRP C[C@@H](NC(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1)C(C)(C)C[NH+](C)C ZINC000085361533 494116924 /nfs/dbraw/zinc/11/69/24/494116924.db2.gz GLUAQZJFASMCKE-ZWKOTPCHSA-N 2 0 374.573 3.488 20 0 FGADRP CC(C)CC[NH+]1CCC(CNC(=O)N[C@H](C)C(C)(C)C[NH+](C)C)CC1 ZINC000085365411 494117658 /nfs/dbraw/zinc/11/76/58/494117658.db2.gz YMNCVFKKJJKZSZ-QGZVFWFLSA-N 2 0 354.583 3.020 20 0 FGADRP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000085388408 494119456 /nfs/dbraw/zinc/11/94/56/494119456.db2.gz AASLIKBWPPXGOQ-NQIIRXRSSA-N 2 0 372.557 3.154 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N(C)[C@@H]1CC[N@H+](C)C[C@@H]1C)c1ccsc1 ZINC000085390486 494119600 /nfs/dbraw/zinc/11/96/00/494119600.db2.gz DBOAHMRDMABLDC-CGTJXYLNSA-N 2 0 366.575 3.113 20 0 FGADRP CC1CCC([NH+]2CCC(NC(=O)N(C)[C@@H]3CC[N@H+](C)C[C@@H]3C)CC2)CC1 ZINC000085402630 494121665 /nfs/dbraw/zinc/12/16/65/494121665.db2.gz DATUZIIKXQTYMO-CAOKTKFFSA-N 2 0 364.578 3.011 20 0 FGADRP C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)NCCC1CC[NH+](C)CC1 ZINC000077809944 494184071 /nfs/dbraw/zinc/18/40/71/494184071.db2.gz PEOTZEWYCMBDSM-IBGZPJMESA-N 2 0 372.557 3.024 20 0 FGADRP C[NH+]1CCN(C[C@@H]([NH2+]CCc2cccc(Cl)c2)c2ccccc2)CC1 ZINC000577347865 505709218 /nfs/dbraw/zinc/70/92/18/505709218.db2.gz HQESOPXLMAYGCU-OAQYLSRUSA-N 2 0 357.929 3.461 20 0 FGADRP C[NH+](C)[C@@H](CNC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)C1CCCCC1 ZINC000042909487 494251714 /nfs/dbraw/zinc/25/17/14/494251714.db2.gz VJHXJIMTHIZCDZ-KRWDZBQOSA-N 2 0 352.567 3.105 20 0 FGADRP CC[NH+]1CCN(c2ccccc2NC(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC000072848377 494264682 /nfs/dbraw/zinc/26/46/82/494264682.db2.gz CIFYJSFQKZGUJM-UHFFFAOYSA-N 2 0 366.509 3.142 20 0 FGADRP C[NH+](C)[C@@H](CNC(=O)NC[C@@H](c1cccs1)[NH+](C)C)C1CCCCC1 ZINC000043144075 494269350 /nfs/dbraw/zinc/26/93/50/494269350.db2.gz DEFXEXJRUXUAQK-IRXDYDNUSA-N 2 0 366.575 3.161 20 0 FGADRP C[NH+](C)[C@@H](CNC(=O)N1CCC([NH+]2CCCCC2)CC1)c1cccs1 ZINC000043143563 494269733 /nfs/dbraw/zinc/26/97/33/494269733.db2.gz NDURYCWFHSAEJA-KRWDZBQOSA-N 2 0 364.559 3.011 20 0 FGADRP CC1CC[NH+](CCCCNC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000043239466 494279217 /nfs/dbraw/zinc/27/92/17/494279217.db2.gz QEAXDUZDOYZYHZ-OAQYLSRUSA-N 2 0 372.557 3.072 20 0 FGADRP CCc1ccc(-c2ccc(C[NH2+]C[C@H](C)CN3CC[NH+](C)CC3)o2)cc1 ZINC000072922423 494283976 /nfs/dbraw/zinc/28/39/76/494283976.db2.gz CSWSLGFNIIYGRU-SFHVURJKSA-N 2 0 355.526 3.482 20 0 FGADRP CCC(CC)[C@H](CNC(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1)[NH+]1CCCC1 ZINC000078524414 494313504 /nfs/dbraw/zinc/31/35/04/494313504.db2.gz NASRNYFDTGYXDJ-QUCCMNQESA-N 2 0 366.594 3.307 20 0 FGADRP C[NH+](C)Cc1ccc(CNC(=O)NC[C@@H](C2CCCCC2)[NH+](C)C)cc1 ZINC000043885321 494328826 /nfs/dbraw/zinc/32/88/26/494328826.db2.gz CJKBXWTWEVMOTH-FQEVSTJZSA-N 2 0 360.546 3.058 20 0 FGADRP C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)C1 ZINC000073428386 494370048 /nfs/dbraw/zinc/37/00/48/494370048.db2.gz NOUMBLVUZZGDNE-LJQANCHMSA-N 2 0 372.557 3.212 20 0 FGADRP CCc1ccc([C@H](CNC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)[NH+](C)C)cc1 ZINC000073494060 494378608 /nfs/dbraw/zinc/37/86/08/494378608.db2.gz KODAYGCKTPINCV-VTHDOGFWSA-N 2 0 372.557 3.166 20 0 FGADRP CC[N@H+](C)Cc1cccc(CNC(=O)NC[C@H]2[NH+](C)CCCC2(C)C)c1 ZINC000571372900 505717482 /nfs/dbraw/zinc/71/74/82/505717482.db2.gz UXFOUNGYOQNEEE-LJQANCHMSA-N 2 0 360.546 3.058 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)[C@@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000044907385 494388215 /nfs/dbraw/zinc/38/82/15/494388215.db2.gz RGQPCUFTIVTNAD-RZUBCFFCSA-N 2 0 371.569 3.383 20 0 FGADRP CC(C)C[NH+]1CCC(NC(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000079096907 494404081 /nfs/dbraw/zinc/40/40/81/494404081.db2.gz UZDPUEQGHSWDEX-NRFANRHFSA-N 2 0 372.557 3.071 20 0 FGADRP C[NH+](C)C[C@@H](NC(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(F)cc1 ZINC000577387994 505718482 /nfs/dbraw/zinc/71/84/82/505718482.db2.gz ZJMSRQUSKPZUSR-PZJWPPBQSA-N 2 0 369.484 3.067 20 0 FGADRP CC(C)[NH+](CCNC(=O)N(Cc1ccco1)C1CC[NH+](C)CC1)C(C)C ZINC000079121774 494406651 /nfs/dbraw/zinc/40/66/51/494406651.db2.gz HGVWKNNIPXXWAI-UHFFFAOYSA-N 2 0 364.534 3.004 20 0 FGADRP C[C@H](C(=O)NC(c1ccccc1)c1ccccc1)[NH+]1CCC(CC[NH3+])CC1 ZINC000574211744 505720966 /nfs/dbraw/zinc/72/09/66/505720966.db2.gz CQOHLAPBGCZMIS-GOSISDBHSA-N 2 0 365.521 3.342 20 0 FGADRP C[C@H](NC(=O)C[C@@H](c1ccccc1)[NH+](C)C)[C@H](c1ccccc1)[NH+](C)C ZINC000571386327 505721259 /nfs/dbraw/zinc/72/12/59/505721259.db2.gz HZZCPHWAZABAAW-RBDMOPTHSA-N 2 0 353.510 3.487 20 0 FGADRP C[C@@H](CCc1ccco1)[NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000090028216 494430471 /nfs/dbraw/zinc/43/04/71/494430471.db2.gz YYQBWUFHHBHOTC-SFHVURJKSA-N 2 0 369.509 3.216 20 0 FGADRP COc1ccc([C@H](CNC(=O)C[N@H+](C)[C@H](C)C2CC2)[NH+]2CCCCC2)cc1 ZINC000073800485 494431053 /nfs/dbraw/zinc/43/10/53/494431053.db2.gz GQCPGPHIUOZYOZ-UTKZUKDTSA-N 2 0 373.541 3.069 20 0 FGADRP Cc1ccc([C@H](CNC(=O)NC[C@@H](c2cccs2)[NH+](C)C)[NH+](C)C)cc1 ZINC000067003193 494453336 /nfs/dbraw/zinc/45/33/36/494453336.db2.gz UCZPVMPGNNNZJH-ROUUACIJSA-N 2 0 374.554 3.261 20 0 FGADRP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1ccc(-n2ccnc2)cc1 ZINC000090523949 494477773 /nfs/dbraw/zinc/47/77/73/494477773.db2.gz UABMWBCCMGLZKI-WTOYTKOKSA-N 2 0 368.525 3.291 20 0 FGADRP CC(C)[N@H+](C)CC1CCN(C(=O)NCCC[NH+](C)Cc2ccccc2)CC1 ZINC000079577745 494484715 /nfs/dbraw/zinc/48/47/15/494484715.db2.gz CNLWKDMCBJUXTF-UHFFFAOYSA-N 2 0 374.573 3.270 20 0 FGADRP CN(CC[N@H+](C)C1CCN(C)CC1)Cc1cnc(-c2ccsc2)s1 ZINC000568565988 505723619 /nfs/dbraw/zinc/72/36/19/505723619.db2.gz ZXONVUSMAMHZCS-UHFFFAOYSA-N 2 0 364.584 3.329 20 0 FGADRP Cc1ccc2c(c1)OCCC[C@H]2[NH2+]Cc1ccnc(OCC[NH+](C)C)c1 ZINC000090937233 494504878 /nfs/dbraw/zinc/50/48/78/494504878.db2.gz VOWRVTKNSKYICT-LJQANCHMSA-N 2 0 355.482 3.334 20 0 FGADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000067282513 494507290 /nfs/dbraw/zinc/50/72/90/494507290.db2.gz UWXPZGZPDURBET-FQEVSTJZSA-N 2 0 360.546 3.010 20 0 FGADRP C[C@@H](C(=O)NCc1ccccc1Cl)[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000056523992 494520073 /nfs/dbraw/zinc/52/00/73/494520073.db2.gz GUKZYDUENFGBIM-HNNXBMFYSA-N 2 0 351.922 3.008 20 0 FGADRP Cc1cccc(C)c1C[NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000091060243 494521256 /nfs/dbraw/zinc/52/12/56/494521256.db2.gz DLUJCYRLRUJWDH-NRFANRHFSA-N 2 0 365.521 3.291 20 0 FGADRP C[C@H](Cc1ccc(F)cc1Br)[NH2+]C[C@H](C)CN1CCOCC1 ZINC000577437472 505726389 /nfs/dbraw/zinc/72/63/89/505726389.db2.gz CWIYQAAWRXBOOG-UONOGXRCSA-N 2 0 373.310 3.077 20 0 FGADRP CC[NH+](CC)Cc1ccccc1CNC(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000056813119 494568290 /nfs/dbraw/zinc/56/82/90/494568290.db2.gz YDVDEHHLOWQCLT-UHFFFAOYSA-N 2 0 374.573 3.402 20 0 FGADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H]2CCc3c2cccc3Br)CC1 ZINC000091285573 494577977 /nfs/dbraw/zinc/57/79/77/494577977.db2.gz JNOLYIUAVYWTMO-KSSFIOAISA-N 2 0 366.347 3.052 20 0 FGADRP CC[C@@H]([NH2+]C[C@@H](C)CN1CC[NH+](C)CC1)c1ccc(Br)cc1 ZINC000121070601 494580046 /nfs/dbraw/zinc/58/00/46/494580046.db2.gz KQJXPYDFYLYZRS-CRAIPNDOSA-N 2 0 368.363 3.373 20 0 FGADRP CC(C)[C@H]([NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1)c1ccccc1 ZINC000091318407 494581557 /nfs/dbraw/zinc/58/15/57/494581557.db2.gz ROVGADMVHIPMMD-NRFANRHFSA-N 2 0 353.510 3.465 20 0 FGADRP C[C@@H](C[NH2+][C@H](c1cccc(C(F)(F)F)c1)C1CC1)N1CC[NH+](C)CC1 ZINC000091333420 494583166 /nfs/dbraw/zinc/58/31/66/494583166.db2.gz NYCUPTLKMYRVRB-KSSFIOAISA-N 2 0 355.448 3.382 20 0 FGADRP COc1ccccc1[C@H]([NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1)C1CCCC1 ZINC000091333548 494583442 /nfs/dbraw/zinc/58/34/42/494583442.db2.gz AMIBHMKXAGCKQX-GHTZIAJQSA-N 2 0 373.541 3.104 20 0 FGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H]2CCSc3ccc(F)cc32)CC1 ZINC000121105877 494598632 /nfs/dbraw/zinc/59/86/32/494598632.db2.gz XTNJBCXXQOLSPQ-QAPCUYQASA-N 2 0 351.535 3.226 20 0 FGADRP C[C@H]1C[C@H]([NH2+]Cc2ccnc(N3CCCC3)c2)CN1Cc1ccccc1 ZINC000131391270 494602566 /nfs/dbraw/zinc/60/25/66/494602566.db2.gz KPJFFSHOKSYMQM-RXVVDRJESA-N 2 0 350.510 3.434 20 0 FGADRP C[C@H]1C[C@@H](NC(=O)N(C)CC2CC[NH+](C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000080166452 494621848 /nfs/dbraw/zinc/62/18/48/494621848.db2.gz ONZNUTMCLJUZJK-RXVVDRJESA-N 2 0 372.557 3.023 20 0 FGADRP C[NH+](C)C1(CNC(=O)NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)CCCC1 ZINC000067734617 494627638 /nfs/dbraw/zinc/62/76/38/494627638.db2.gz DENXUZULTMDHOE-HXUWFJFHSA-N 2 0 372.557 3.072 20 0 FGADRP C[C@@H]1C[N@@H+](CCCC[NH2+]C2CCC(C(=O)OC(C)(C)C)CC2)C[C@H](C)O1 ZINC000092564288 494670513 /nfs/dbraw/zinc/67/05/13/494670513.db2.gz PVUVFXZGRKROEE-LPOKXYRGSA-N 2 0 368.562 3.366 20 0 FGADRP CC[C@H]1C[C@@H](C)C[N@@H+]1CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000075022651 494676184 /nfs/dbraw/zinc/67/61/84/494676184.db2.gz KLXIDJYUNXKABF-UTKZUKDTSA-N 2 0 357.542 3.196 20 0 FGADRP C[N@@H+]1CCC[C@@H](CNC(=O)NCC2([NH3+])CCCCC2)[C@H]1c1cccs1 ZINC000568608524 505736016 /nfs/dbraw/zinc/73/60/16/505736016.db2.gz DLYUKVOIVNGIPG-RDJZCZTQSA-N 2 0 364.559 3.092 20 0 FGADRP C[C@@H](Cc1ccsc1)[NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000577480955 505736345 /nfs/dbraw/zinc/73/63/45/505736345.db2.gz ANQIMOVNOOAHBK-INIZCTEOSA-N 2 0 371.550 3.166 20 0 FGADRP C[C@H]1CCC[N@@H+]1C1CCN(C(=O)NCCCC[NH+]2CCCC[C@H]2C)CC1 ZINC000126305708 494704587 /nfs/dbraw/zinc/70/45/87/494704587.db2.gz IZRBHHUVADQCQD-MOPGFXCFSA-N 2 0 364.578 3.299 20 0 FGADRP CC[N@H+](Cc1ccc(C(=O)N2CC[C@H](C[NH+](C)CC3CC3)C2)cc1)C1CC1 ZINC000080473116 494715009 /nfs/dbraw/zinc/71/50/09/494715009.db2.gz ZJGAPQMBNSAJCK-HXUWFJFHSA-N 2 0 369.553 3.475 20 0 FGADRP CC1CC[NH+](Cc2cccc(CNC(=O)NC[C@@H]3CCC[N@H+](C)C3)c2)CC1 ZINC000108573499 494741692 /nfs/dbraw/zinc/74/16/92/494741692.db2.gz RUYSKHHQBDZYHN-NRFANRHFSA-N 2 0 372.557 3.060 20 0 FGADRP Cc1nc2ccccc2n1CCCCCN1CCC(CO)([NH2+]C(C)C)CC1 ZINC000574288415 505739446 /nfs/dbraw/zinc/73/94/46/505739446.db2.gz NBLPMMQSMXOIIB-UHFFFAOYSA-N 2 0 372.557 3.340 20 0 FGADRP C[C@H]1CCCCN1C(=O)C[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821546 494762894 /nfs/dbraw/zinc/76/28/94/494762894.db2.gz OVDDJOGWXNWGFL-SFHVURJKSA-N 2 0 358.530 3.021 20 0 FGADRP Cc1cc(Cl)c2c(c1)[C@@H]([NH2+]CCCN1CC[NH+](C)CC1)CCCO2 ZINC000126482100 494767107 /nfs/dbraw/zinc/76/71/07/494767107.db2.gz WIJODPJNYXAASL-SFHVURJKSA-N 2 0 351.922 3.089 20 0 FGADRP COc1cc([C@@H](C)[NH2+]C[C@H](C)C[NH+]2CCCCC2)cc(OC)c1OC ZINC000121588578 494812399 /nfs/dbraw/zinc/81/23/99/494812399.db2.gz VZADVIQGYLGSKJ-JKSUJKDBSA-N 2 0 350.503 3.485 20 0 FGADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H]1CCCOc2cc3c(cc21)CCCC3 ZINC000126676859 494817151 /nfs/dbraw/zinc/81/71/51/494817151.db2.gz NVDCWCPOBJLOAY-UTKZUKDTSA-N 2 0 357.542 3.005 20 0 FGADRP CCCCN(C(=O)[C@@H]1CCn2cncc2C1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000132107189 494821256 /nfs/dbraw/zinc/82/12/56/494821256.db2.gz CSKHHAPAAXAVTD-MRXNPFEDSA-N 2 0 360.546 3.383 20 0 FGADRP CCN(C(=O)C[NH+]1CCC(CC[NH+](C)C)CC1)[C@@H](C)c1ccc(F)cc1 ZINC000121619070 494821997 /nfs/dbraw/zinc/82/19/97/494821997.db2.gz RGTJNCZIEYNDQL-KRWDZBQOSA-N 2 0 363.521 3.399 20 0 FGADRP C[C@H]([NH2+][C@@H]1CCCc2c1cnn2C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000126770036 494835018 /nfs/dbraw/zinc/83/50/18/494835018.db2.gz IEIMIBGAUJOTRR-HNAYVOBHSA-N 2 0 371.504 3.039 20 0 FGADRP COc1ccc(C[NH+]2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)c2ccccc12 ZINC000093148269 494835088 /nfs/dbraw/zinc/83/50/88/494835088.db2.gz QOGVYAJUTCJQHJ-FQEVSTJZSA-N 2 0 367.537 3.450 20 0 FGADRP CC[NH+]1CCC(CC[NH2+][C@H](C)c2nnn(-c3ccc(F)cc3)c2C)CC1 ZINC000121748955 494851871 /nfs/dbraw/zinc/85/18/71/494851871.db2.gz YNEHIOMSWAUZRG-OAHLLOKOSA-N 2 0 359.493 3.487 20 0 FGADRP CC[NH+]1CCN([C@@H]2CC[N@H+](CCCc3cccc4ccccc43)C2)CC1 ZINC000132302911 494854419 /nfs/dbraw/zinc/85/44/19/494854419.db2.gz VUQMAFUTWXSKJW-JOCHJYFZSA-N 2 0 351.538 3.484 20 0 FGADRP CN(Cc1cccs1)C(=O)C[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000121866060 494878322 /nfs/dbraw/zinc/87/83/22/494878322.db2.gz BPMXVZLKFCSPEV-UHFFFAOYSA-N 2 0 363.571 3.295 20 0 FGADRP [NH3+][C@@H]1CCC[C@H]([NH2+]CCSCCOc2cccc(Br)c2)C1 ZINC000568664380 505747834 /nfs/dbraw/zinc/74/78/34/505747834.db2.gz RIWIDUYICAMYSJ-CABCVRRESA-N 2 0 373.360 3.421 20 0 FGADRP CN1CC[NH+](CCCC[NH2+][C@H]2CCCc3ncc(C(F)(F)F)cc32)CC1 ZINC000132525798 494888357 /nfs/dbraw/zinc/88/83/57/494888357.db2.gz GDKDNAWUXJSUQF-KRWDZBQOSA-N 2 0 370.463 3.095 20 0 FGADRP CCOC[C@H]1CCC[N@H+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)C1 ZINC000093419260 494890598 /nfs/dbraw/zinc/89/05/98/494890598.db2.gz UTZJAYZTACGFRE-IBGZPJMESA-N 2 0 359.558 3.466 20 0 FGADRP CCC[NH+]1CCN(c2ccccc2C[NH+]2CCC(CC)(CO)CC2)CC1 ZINC000093591948 494903043 /nfs/dbraw/zinc/90/30/43/494903043.db2.gz YZERLIZCPQEMMR-UHFFFAOYSA-N 2 0 359.558 3.203 20 0 FGADRP CC[N@H+](Cc1ccc(C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)cc1)C1CC1 ZINC000127223486 494912898 /nfs/dbraw/zinc/91/28/98/494912898.db2.gz RUCYRSGFSGLSBM-IBGZPJMESA-N 2 0 355.526 3.229 20 0 FGADRP c1ncn(-c2ccc(C[NH+]3CCC(CCC[NH+]4CCCC4)CC3)cc2)n1 ZINC000093769348 494918734 /nfs/dbraw/zinc/91/87/34/494918734.db2.gz OFDNWXDKADDEQC-UHFFFAOYSA-N 2 0 353.514 3.355 20 0 FGADRP O[C@@H](COCc1cccs1)C[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000122093900 494922784 /nfs/dbraw/zinc/92/27/84/494922784.db2.gz OXVLHHZFGORURN-LJQANCHMSA-N 2 0 366.571 3.214 20 0 FGADRP CC(C)[NH+]1CCC(NCc2ccccc2N(C)C2CC[NH+](C)CC2)CC1 ZINC000132789476 494924383 /nfs/dbraw/zinc/92/43/83/494924383.db2.gz LKLIJFPCUYMGDE-UHFFFAOYSA-N 2 0 358.574 3.179 20 0 FGADRP C[C@@H]1C[NH+](CCC2CC[NH+](Cc3c[nH]nc3C(C)(C)C)CC2)C[C@@H](C)O1 ZINC000093844378 494927379 /nfs/dbraw/zinc/92/73/79/494927379.db2.gz HHNSYQANVSOJDV-IAGOWNOFSA-N 2 0 362.562 3.419 20 0 FGADRP Cc1c([C@H](C)[NH2+]C[C@H](C)N2CC[NH+](C)CC2)cnn1-c1cc(C)ccc1C ZINC000127338609 494930695 /nfs/dbraw/zinc/93/06/95/494930695.db2.gz ZSBOYQOVQWLMAA-OALUTQOASA-N 2 0 369.557 3.084 20 0 FGADRP C[C@H](CNC(=O)NCCCC[N@@H+]1CCCC[C@@H]1C)C[NH+]1CCCCC1 ZINC000127430537 494943912 /nfs/dbraw/zinc/94/39/12/494943912.db2.gz JLFLRDVQBONTJF-MOPGFXCFSA-N 2 0 352.567 3.062 20 0 FGADRP CC[NH+](CC)CCOc1ccc(NC(=O)NC2CC[NH+](C3CC3)CC2)cc1 ZINC000110073367 494945964 /nfs/dbraw/zinc/94/59/64/494945964.db2.gz FBBRWEFUVOASOU-UHFFFAOYSA-N 2 0 374.529 3.156 20 0 FGADRP C[C@@H]([NH2+]Cc1ccccc1OCC[NH+](C)C)c1ccc([S@@](C)=O)cc1 ZINC000122361056 494963492 /nfs/dbraw/zinc/96/34/92/494963492.db2.gz WQDTUEPVENYSCM-CPJLOUKISA-N 2 0 360.523 3.215 20 0 FGADRP [NH3+][C@H]1CCCO[C@@H]1C1CC[NH+](Cc2c[nH]nc2-c2cccc(Cl)c2)CC1 ZINC000580409166 505753257 /nfs/dbraw/zinc/75/32/57/505753257.db2.gz BNRFVKCPLRSSQO-AZUAARDMSA-N 2 0 374.916 3.448 20 0 FGADRP CCC[NH+]1CCC(C[NH2+][C@H](C)c2ccc(NS(=O)(=O)CC)cc2)CC1 ZINC000122746647 495025128 /nfs/dbraw/zinc/02/51/28/495025128.db2.gz MEMUQXLGKDIHJO-MRXNPFEDSA-N 2 0 367.559 3.221 20 0 FGADRP Cc1ccc(OC(F)F)c([C@@H](C)[NH2+]CCCN2CCC[N@H+](C)CC2)c1 ZINC000128294108 495074600 /nfs/dbraw/zinc/07/46/00/495074600.db2.gz RDTVCFYECKYJJO-MRXNPFEDSA-N 2 0 355.473 3.275 20 0 FGADRP COc1cc(CN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)ccc1OCC(F)(F)F ZINC000101593175 495083032 /nfs/dbraw/zinc/08/30/32/495083032.db2.gz XZIQOTUBROUOBS-HUUCEWRRSA-N 2 0 358.404 3.353 20 0 FGADRP COCCC[NH+]1CCC([NH2+][C@H]2CCc3[nH]c4ccc(OC)cc4c3C2)CC1 ZINC000123196406 495095187 /nfs/dbraw/zinc/09/51/87/495095187.db2.gz ADWLJBQMRQIFIB-KRWDZBQOSA-N 2 0 371.525 3.124 20 0 FGADRP CCN(Cc1cccc(F)c1)C(=O)C[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123316076 495113549 /nfs/dbraw/zinc/11/35/49/495113549.db2.gz UUSKOGGIEHZOOS-UHFFFAOYSA-N 2 0 363.521 3.228 20 0 FGADRP CCC[NH+]1CCC(CNC(=O)NC[C@H](c2ccco2)[NH+](CC)CC)CC1 ZINC000102006241 495114530 /nfs/dbraw/zinc/11/45/30/495114530.db2.gz DYYPPSUVJQCDFK-GOSISDBHSA-N 2 0 364.534 3.084 20 0 FGADRP CC(=O)c1ccc(NC(=O)CC[NH+]2CCC(CCC[NH+](C)C)CC2)cc1 ZINC000123369077 495122196 /nfs/dbraw/zinc/12/21/96/495122196.db2.gz ZEMRYHPVWSWPEP-UHFFFAOYSA-N 2 0 359.514 3.272 20 0 FGADRP c1[nH+]cn2ccc(-c3noc([C@@H]4CCC[N@@H+](Cc5cccnc5)C4)n3)cc12 ZINC000574394052 505762913 /nfs/dbraw/zinc/76/29/13/505762913.db2.gz LPTJMVMESVOWJC-QGZVFWFLSA-N 2 0 360.421 3.159 20 0 FGADRP CCOc1ccc([C@@H](C)[NH2+]CCCN2CCC[N@H+](C)CC2)cc1OCC ZINC000128657857 495130967 /nfs/dbraw/zinc/13/09/67/495130967.db2.gz NCZPZGJEXOXYLK-GOSISDBHSA-N 2 0 363.546 3.162 20 0 FGADRP CCC[NH+]1CCC(NC(=O)NC2CCC([NH+]3CCC(C)CC3)CC2)CC1 ZINC000128707151 495137854 /nfs/dbraw/zinc/13/78/54/495137854.db2.gz JLXSYBVDGYZVDR-UHFFFAOYSA-N 2 0 364.578 3.203 20 0 FGADRP CC[N@H+](C)Cc1cccc(CNC(=O)NC[C@H]2CCC[NH+](CC(C)C)C2)c1 ZINC000128780816 495148783 /nfs/dbraw/zinc/14/87/83/495148783.db2.gz NLUJPVDTLALLRT-OAQYLSRUSA-N 2 0 374.573 3.306 20 0 FGADRP C[C@@H](CNC(=O)[C@@H](C)[NH+]1CCC(CCC[NH+](C)C)CC1)c1ccccc1 ZINC000123547427 495149764 /nfs/dbraw/zinc/14/97/64/495149764.db2.gz YFLAHJTUXXJIDK-RBUKOAKNSA-N 2 0 359.558 3.349 20 0 FGADRP CC(C)[NH2+]C1CCN(C(=O)NC[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC000119386359 495156366 /nfs/dbraw/zinc/15/63/66/495156366.db2.gz PKVVDRNBFYQCEN-QUCCMNQESA-N 2 0 372.557 3.069 20 0 FGADRP Cc1cc2ncn(C[C@@H](O)C[NH+]3CCC(CCC[NH+](C)C)CC3)c2cc1C ZINC000123628005 495162465 /nfs/dbraw/zinc/16/24/65/495162465.db2.gz GNGXWRWOMISXNG-FQEVSTJZSA-N 2 0 372.557 3.068 20 0 FGADRP C[C@@H](NC(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(C)(C)C[NH+](C)C ZINC000119570516 495193070 /nfs/dbraw/zinc/19/30/70/495193070.db2.gz QOMPEDAKZGBBMK-UYAOXDASSA-N 2 0 374.573 3.126 20 0 FGADRP OC[C@H](Cc1c[nH]c2ccccc12)[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000123944956 495210804 /nfs/dbraw/zinc/21/08/04/495210804.db2.gz QQQJYEAHLVRIQW-IBGZPJMESA-N 2 0 355.526 3.458 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1)c1ccsc1 ZINC000119718843 495226051 /nfs/dbraw/zinc/22/60/51/495226051.db2.gz RPMAIBMJRYADFO-YXJHDRRASA-N 2 0 364.559 3.055 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCc2ccc(-n3cccn3)cc2)[C@H](C)C1 ZINC000129571105 495263716 /nfs/dbraw/zinc/26/37/16/495263716.db2.gz DTBGMHUSOJUVBT-KNQAVFIVSA-N 2 0 370.541 3.141 20 0 FGADRP Cc1cc(Cl)ccc1C[NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000129771863 495293704 /nfs/dbraw/zinc/29/37/04/495293704.db2.gz OBBVBHRAYBMXRO-UHFFFAOYSA-N 2 0 359.901 3.230 20 0 FGADRP C[C@@H]1CCC[N@H+](CCNC(=O)N(C)C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000113591635 495318267 /nfs/dbraw/zinc/31/82/67/495318267.db2.gz BHUMMHCDNUHXEE-LJQANCHMSA-N 2 0 372.557 3.024 20 0 FGADRP COc1ccc2c(c1)[C@@H]([NH2+]CC1(N3CCCCC3)CC[NH+](C)CC1)CC2 ZINC000124659923 495324353 /nfs/dbraw/zinc/32/43/53/495324353.db2.gz DGMRWYOMQPJVBI-NRFANRHFSA-N 2 0 357.542 3.222 20 0 FGADRP CC1CC[NH+](Cc2ccccc2CNC(=O)NCC2CC[NH+](C)CC2)CC1 ZINC000105112932 495337548 /nfs/dbraw/zinc/33/75/48/495337548.db2.gz FKPVCXHTVNNYSW-UHFFFAOYSA-N 2 0 372.557 3.060 20 0 FGADRP CCC[NH+]1CCC(NC(=O)N2CCC[N@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000124955661 495370202 /nfs/dbraw/zinc/37/02/02/495370202.db2.gz HBDQEYFGMBNTIK-LJQANCHMSA-N 2 0 372.557 3.167 20 0 FGADRP CC[NH+](CC)Cc1cccc(NC(=O)c2ccnc(OCC[NH+](C)C)c2)c1 ZINC000136350387 495373974 /nfs/dbraw/zinc/37/39/74/495373974.db2.gz JEYZLVJJDSTNIJ-UHFFFAOYSA-N 2 0 370.497 3.116 20 0 FGADRP C[NH+](C)Cc1ccc(C(=O)NCC(C)(C)[N@@H+]2CCc3ccccc3C2)cc1 ZINC000130414868 495388637 /nfs/dbraw/zinc/38/86/37/495388637.db2.gz QUONNYUYXUGSHV-UHFFFAOYSA-N 2 0 365.521 3.315 20 0 FGADRP Cc1nn(C)c(C)c1C[C@H](C)[NH2+][C@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000120482858 495388721 /nfs/dbraw/zinc/38/87/21/495388721.db2.gz FZEHTPARLUZSQX-JKSUJKDBSA-N 2 0 358.530 3.259 20 0 FGADRP C[NH+](C)Cc1ccc(CNC(=O)[C@@H]2C[NH2+]C[C@H]2c2ccc(Cl)cc2)cc1 ZINC000574463577 505779091 /nfs/dbraw/zinc/77/90/91/505779091.db2.gz YSRBMODSZXBYRO-VQTJNVASSA-N 2 0 371.912 3.021 20 0 FGADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC[C@H](CNC(=O)Nc2cccc(F)c2)C1 ZINC000125117460 495393707 /nfs/dbraw/zinc/39/37/07/495393707.db2.gz ORWSHANNEACSCJ-APWZRJJASA-N 2 0 362.493 3.144 20 0 FGADRP CCC[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)c1ccc(OC)cc1 ZINC000130454762 495394477 /nfs/dbraw/zinc/39/44/77/495394477.db2.gz IMURBCWWARBWQS-NRFANRHFSA-N 2 0 368.525 3.473 20 0 FGADRP CC(C)[NH2+]C1CCN(CCC(=O)Nc2ccccc2C(F)(F)F)CC1 ZINC000137075324 495421654 /nfs/dbraw/zinc/42/16/54/495421654.db2.gz CRELRSIYOWRVOD-UHFFFAOYSA-N 2 0 357.420 3.496 20 0 FGADRP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+]([C@@H]2CCCc3ccccc32)CC1 ZINC000130695179 495430857 /nfs/dbraw/zinc/43/08/57/495430857.db2.gz DEHUZBXPPMYCNL-OAQYLSRUSA-N 2 0 371.569 3.480 20 0 FGADRP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)N2CCC([NH+]3CCC[C@H]3C)CC2)C1 ZINC000130738100 495437635 /nfs/dbraw/zinc/43/76/35/495437635.db2.gz LJSLIOMMYJUSBT-MOPGFXCFSA-N 2 0 364.578 3.013 20 0 FGADRP O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000106513838 495460048 /nfs/dbraw/zinc/46/00/48/495460048.db2.gz ZUBJBAJQAGEWLB-CTNGQTDRSA-N 2 0 370.541 3.140 20 0 FGADRP O=C(N[C@@H](C[NH+]1CCCC1)c1ccccc1)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000106530843 495464236 /nfs/dbraw/zinc/46/42/36/495464236.db2.gz RZUMEAINVLIESG-CTNGQTDRSA-N 2 0 370.541 3.140 20 0 FGADRP CC[NH+](CC)CCOc1ccc(C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)cc1 ZINC000106789520 495496544 /nfs/dbraw/zinc/49/65/44/495496544.db2.gz IJLRQKOTLASMPU-LJQANCHMSA-N 2 0 373.541 3.154 20 0 FGADRP Cc1ccc([C@H](CNC(=O)NC2CC[NH+](C3CC3)CC2)[NH+]2CCCC2)cc1 ZINC000141748443 495509837 /nfs/dbraw/zinc/50/98/37/495509837.db2.gz FGCGAXQEKZYVFW-NRFANRHFSA-N 2 0 370.541 3.058 20 0 FGADRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@@H](C)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000131292436 495518202 /nfs/dbraw/zinc/51/82/02/495518202.db2.gz CLUOVXUXRHWVSX-CABCVRRESA-N 2 0 358.523 3.390 20 0 FGADRP FC(F)(F)c1ccc(OCC[NH+]2CCC(C[NH+]3CCOCC3)CC2)cc1 ZINC000107303353 495525081 /nfs/dbraw/zinc/52/50/81/495525081.db2.gz JQJINGFURIUGFQ-UHFFFAOYSA-N 2 0 372.431 3.128 20 0 FGADRP Cc1ccc(C[C@H]([NH2+]Cc2cccnc2N2CC[NH+](C)CC2)C2CC2)cc1 ZINC000158544464 495534957 /nfs/dbraw/zinc/53/49/57/495534957.db2.gz SEMPCLSNTHWRKT-QFIPXVFZSA-N 2 0 364.537 3.253 20 0 FGADRP C[NH+](C)Cc1c2ccccc2oc1C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000154266447 495561375 /nfs/dbraw/zinc/56/13/75/495561375.db2.gz QHWSHYALYNUSKE-QAPCUYQASA-N 2 0 355.482 3.051 20 0 FGADRP CN(CC[NH+](C)C)C(=O)NCc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000176254801 495566192 /nfs/dbraw/zinc/56/61/92/495566192.db2.gz OXUVBVBRLRWNJY-UHFFFAOYSA-N 2 0 360.546 3.154 20 0 FGADRP CCCC[NH+]1CCC(NC(=O)NC2CC[NH+](C3CCCCC3)CC2)CC1 ZINC000176296701 495584573 /nfs/dbraw/zinc/58/45/73/495584573.db2.gz WRNQOJRIESVMKG-UHFFFAOYSA-N 2 0 364.578 3.347 20 0 FGADRP COc1ccc(C[NH+]2CCC(C[NH2+][C@@H](C)CCn3cccn3)CC2)cc1 ZINC000158772350 495586427 /nfs/dbraw/zinc/58/64/27/495586427.db2.gz IISPBNNIDPHAOK-SFHVURJKSA-N 2 0 356.514 3.172 20 0 FGADRP CC1CC[NH+](CCCCNC(=O)c2ccccc2CC2CC[NH2+]CC2)CC1 ZINC000571686030 505791059 /nfs/dbraw/zinc/79/10/59/505791059.db2.gz WSYSIEVVWXKTIL-UHFFFAOYSA-N 2 0 371.569 3.471 20 0 FGADRP C[C@@H]1C[N@@H+](Cc2ccccc2C[NH2+]Cc2cc(O)cc(F)c2)C[C@H](C)O1 ZINC000185482178 495594481 /nfs/dbraw/zinc/59/44/81/495594481.db2.gz IGXNUQWKOVQLNN-IYBDPMFKSA-N 2 0 358.457 3.430 20 0 FGADRP C[C@H]([NH2+]C[C@]1(CO)C[C@@H]1c1ccccc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000571694786 505792122 /nfs/dbraw/zinc/79/21/22/505792122.db2.gz NUSBOKRYIWMVSE-NMNUPHIUSA-N 2 0 368.521 3.444 20 0 FGADRP C[N@@H+]1CC[C@H](NC(=O)N2CCC[NH+](C3CCCC3)CC2)[C@@H]1c1ccccc1 ZINC000179474782 495606677 /nfs/dbraw/zinc/60/66/77/495606677.db2.gz LCPSMYLBQVKGAY-SFTDATJTSA-N 2 0 370.541 3.092 20 0 FGADRP CCN1CC[NH+](CCCC[NH2+][C@H]2CCSc3ccc(F)cc32)CC1 ZINC000154448376 495619981 /nfs/dbraw/zinc/61/99/81/495619981.db2.gz KSUIBSBJEYRNDO-SFHVURJKSA-N 2 0 351.535 3.370 20 0 FGADRP CC[NH+](CC)CCCC1CCN(C(=O)N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)CC1 ZINC000182588553 495627227 /nfs/dbraw/zinc/62/72/27/495627227.db2.gz PPRKSXJSNIDZRC-IEBWSBKVSA-N 2 0 364.578 3.155 20 0 FGADRP CCc1nc2c(s1)[C@H]([NH2+]CCCCN1CC[NH+](CC)CC1)CCC2 ZINC000154494520 495635229 /nfs/dbraw/zinc/63/52/29/495635229.db2.gz CFXBJYSEYVPCFX-MRXNPFEDSA-N 2 0 350.576 3.090 20 0 FGADRP COCCC[NH+]1CCC([NH2+][C@H](C)c2ccc3c(c2)C(C)(C)C(=O)N3)CC1 ZINC000159076040 495652318 /nfs/dbraw/zinc/65/23/18/495652318.db2.gz WYGGYHOPUXQIJV-OAHLLOKOSA-N 2 0 359.514 3.068 20 0 FGADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N(C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000173752403 495677094 /nfs/dbraw/zinc/67/70/94/495677094.db2.gz CYYFHSDNLMZFTH-FXAWDEMLSA-N 2 0 360.546 3.151 20 0 FGADRP C[NH+]1CCN(c2cc(C[NH2+][C@@H]3CCc4cc(Cl)ccc43)ccn2)CC1 ZINC000159197598 495681212 /nfs/dbraw/zinc/68/12/12/495681212.db2.gz KAXDPQZOQOUURL-LJQANCHMSA-N 2 0 356.901 3.264 20 0 FGADRP CCOc1ccccc1[C@@H](C)[NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000159195894 495681625 /nfs/dbraw/zinc/68/16/25/495681625.db2.gz LVPMDKYFTQPNLG-QGZVFWFLSA-N 2 0 354.498 3.083 20 0 FGADRP Cc1nc2ccccc2nc1C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000173949394 495758976 /nfs/dbraw/zinc/75/89/76/495758976.db2.gz PHBOQUHTYQSTDU-UHFFFAOYSA-N 2 0 354.498 3.015 20 0 FGADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1ccc(Cl)c(Br)c1 ZINC000185874478 495759949 /nfs/dbraw/zinc/75/99/49/495759949.db2.gz LZDRDVYZYCWGRS-CYBMUJFWSA-N 2 0 374.754 3.218 20 0 FGADRP CC(C)[N@H+](C)Cc1ccccc1C[NH2+][C@H](C)c1ccc(-n2cnnn2)cc1 ZINC000154883593 495760658 /nfs/dbraw/zinc/76/06/58/495760658.db2.gz GBGCRBHVIVPVBJ-QGZVFWFLSA-N 2 0 364.497 3.353 20 0 FGADRP C[C@H](NC(=O)N1CCC(CC[NH+](C)C)CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182937296 495765012 /nfs/dbraw/zinc/76/50/12/495765012.db2.gz XUOJHYFMARBGIZ-PKOBYXMFSA-N 2 0 364.578 3.013 20 0 FGADRP C[C@H](CNC(=O)NC1CC[NH+](CC2CCCC2)CC1)[NH+]1CCC(C)CC1 ZINC000171201633 495766524 /nfs/dbraw/zinc/76/65/24/495766524.db2.gz SQFKUYRYFDVGTA-GOSISDBHSA-N 2 0 364.578 3.061 20 0 FGADRP COc1cccc(C[C@H]([NH2+][C@@H](C)CN2CC[NH+](C)CC2)c2ccccc2)c1 ZINC000154936734 495777983 /nfs/dbraw/zinc/77/79/83/495777983.db2.gz DGWCLZHUVSRTJP-CVDCTZTESA-N 2 0 367.537 3.205 20 0 FGADRP CCC[C@@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)c1cccnc1 ZINC000186060190 495840696 /nfs/dbraw/zinc/84/06/96/495840696.db2.gz KOZHQRYJSHXQMR-HXUWFJFHSA-N 2 0 354.498 3.004 20 0 FGADRP c1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH2+]CCCOC4CCOCC4)[C@@H]3C2)cc1 ZINC000183152989 495857927 /nfs/dbraw/zinc/85/79/27/495857927.db2.gz WMLGQKNWNRYRHO-WWNPGLIZSA-N 2 0 372.553 3.462 20 0 FGADRP CC[NH+]1CCN(CCCC[NH2+][C@H](c2ccccc2)c2ccc(F)cn2)CC1 ZINC000183351934 495943102 /nfs/dbraw/zinc/94/31/02/495943102.db2.gz PRSCXPDPSQKKKM-JOCHJYFZSA-N 2 0 370.516 3.317 20 0 FGADRP CC(C)c1cc(C(=O)NCCN2CCC([NH+](C)C)CC2)c2ccccc2n1 ZINC000177155322 495951477 /nfs/dbraw/zinc/95/14/77/495951477.db2.gz KWUNJDLEKBGVAK-UHFFFAOYSA-N 2 0 368.525 3.114 20 0 FGADRP O=C(N[C@H](C[NH+]1CCCC1)c1ccccc1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000171622736 495952639 /nfs/dbraw/zinc/95/26/39/495952639.db2.gz YQJVSZSUZTXJKO-NHCUHLMSSA-N 2 0 370.541 3.093 20 0 FGADRP CC(C)C[NH+]1CCC(NC(=O)N[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC000177181093 495963408 /nfs/dbraw/zinc/96/34/08/495963408.db2.gz SPFIRWAUIHVUHM-NQIIRXRSSA-N 2 0 372.557 3.069 20 0 FGADRP CN(C)CC[NH+]1CCC(C[NH2+][C@H](c2ccccc2)c2ccccn2)CC1 ZINC000180452540 496002010 /nfs/dbraw/zinc/00/20/10/496002010.db2.gz YKMQEXVHOBMONQ-JOCHJYFZSA-N 2 0 352.526 3.034 20 0 FGADRP C[C@H](CCc1ccccc1)[NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000177353428 496028712 /nfs/dbraw/zinc/02/87/12/496028712.db2.gz XYFNTJATWJXLPE-GOSISDBHSA-N 2 0 353.510 3.089 20 0 FGADRP CN(C)CC[NH+]1CCC(C[NH2+][C@H](c2ccccc2)c2ccc(F)cn2)CC1 ZINC000183556078 496029432 /nfs/dbraw/zinc/02/94/32/496029432.db2.gz LQLRPHSHXJMZTM-JOCHJYFZSA-N 2 0 370.516 3.173 20 0 FGADRP OC[C@H]1CCC[N@@H+]1CCCC[NH2+][C@H](c1ccccc1)c1ccc(F)cn1 ZINC000183569185 496034323 /nfs/dbraw/zinc/03/43/23/496034323.db2.gz HZVRXMSSSKQVAH-TZIWHRDSSA-N 2 0 357.473 3.137 20 0 FGADRP C[C@@H]1C[C@@H](CCNC(=O)c2ccccc2CC[NH3+])C[N@@H+]1Cc1ccccc1 ZINC000571815028 505819660 /nfs/dbraw/zinc/81/96/60/505819660.db2.gz OUNRGADKHVGYDF-UYAOXDASSA-N 2 0 365.521 3.218 20 0 FGADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H](C)c2cc(Cl)c(OC)cc2OC)CC1 ZINC000155717314 496045486 /nfs/dbraw/zinc/04/54/86/496045486.db2.gz DQMHKDYLQIELJM-CABCVRRESA-N 2 0 369.937 3.034 20 0 FGADRP C[C@@H]1C[C@H](CCNC(=O)c2ccccc2CC[NH3+])C[N@@H+]1Cc1ccccc1 ZINC000571815027 505819858 /nfs/dbraw/zinc/81/98/58/505819858.db2.gz OUNRGADKHVGYDF-QUCCMNQESA-N 2 0 365.521 3.218 20 0 FGADRP CCOc1ccc([C@@H](C)[NH2+][C@@H](C)CCN2CC[NH+](C)CC2)cc1OCC ZINC000186580173 496055408 /nfs/dbraw/zinc/05/54/08/496055408.db2.gz FSAQSXOKMQSBJP-ZWKOTPCHSA-N 2 0 363.546 3.161 20 0 FGADRP C[NH+]1CCN(c2ccc(C[NH2+]CC3CCC(C(F)(F)F)CC3)cn2)CC1 ZINC000186585900 496057829 /nfs/dbraw/zinc/05/78/29/496057829.db2.gz WYFUSJQJKCHEOR-UHFFFAOYSA-N 2 0 370.463 3.292 20 0 FGADRP CC[C@H]([NH2+][C@@H](C)CCN1CC[NH+](C)CC1)c1ccccc1OC(F)F ZINC000186587785 496059743 /nfs/dbraw/zinc/05/97/43/496059743.db2.gz AFZCMKQIBNBPTB-RDJZCZTQSA-N 2 0 355.473 3.355 20 0 FGADRP C[C@@H]1C[NH+](CCC2CC[NH+](CCC(=O)Nc3ccccc3)CC2)C[C@@H](C)O1 ZINC000177505378 496090357 /nfs/dbraw/zinc/09/03/57/496090357.db2.gz VPRDJXJYONIVOR-RTBURBONSA-N 2 0 373.541 3.227 20 0 FGADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]C1CCN(Cc2coc(-c3ccccc3)n2)CC1 ZINC000568974459 505822660 /nfs/dbraw/zinc/82/26/60/505822660.db2.gz ZCKZSJHKSTXREB-RXVVDRJESA-N 2 0 368.525 3.413 20 0 FGADRP C[NH+](C)Cc1cccc(NC(=O)NCc2ccc(F)c(C[NH+](C)C)c2)c1 ZINC000172046655 496140799 /nfs/dbraw/zinc/14/07/99/496140799.db2.gz PBPQRMCVRUIVHJ-UHFFFAOYSA-N 2 0 358.461 3.271 20 0 FGADRP CCC[N@H+](CC)C[C@@H](C)NC(=O)N[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000571848916 505827622 /nfs/dbraw/zinc/82/76/22/505827622.db2.gz VXRGKNXVPSUQJA-SVFBPWRDSA-N 2 0 374.573 3.459 20 0 FGADRP [NH3+]CCC1CC[NH+](Cc2cn(-c3ccccc3)nc2-c2ccncc2)CC1 ZINC000569008311 505829208 /nfs/dbraw/zinc/82/92/08/505829208.db2.gz NPDQEDZSXOFMOS-UHFFFAOYSA-N 2 0 361.493 3.495 20 0 FGADRP C[C@@H](CNC(=O)N1CCC(CCC[NH+](C)C)CC1)[N@H+](C)Cc1ccccc1 ZINC000161958754 496270557 /nfs/dbraw/zinc/27/05/57/496270557.db2.gz DFMOHMURHJYFRJ-IBGZPJMESA-N 2 0 374.573 3.270 20 0 FGADRP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](CCCCc2ccccc2)CC1 ZINC000187064124 496276932 /nfs/dbraw/zinc/27/69/32/496276932.db2.gz FVRFZQDSOAFTHC-UHFFFAOYSA-N 2 0 373.585 3.425 20 0 FGADRP O[C@H](C[NH+]1CCC(OCC[NH+]2CCCC2)CC1)c1ccc(F)cc1Cl ZINC000187106026 496295205 /nfs/dbraw/zinc/29/52/05/496295205.db2.gz YZJYEXJTZKFWLV-LJQANCHMSA-N 2 0 370.896 3.089 20 0 FGADRP COc1ccc(OC)c([C@H](C)[NH2+]CCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000178034123 496296314 /nfs/dbraw/zinc/29/63/14/496296314.db2.gz OXAHTTPRAWSVII-BBWFWOEESA-N 2 0 350.503 3.244 20 0 FGADRP Cc1cc(Br)ccc1C[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000181202710 496309933 /nfs/dbraw/zinc/30/99/33/496309933.db2.gz BDWDBZKOZZCKLT-UHFFFAOYSA-N 2 0 368.363 3.215 20 0 FGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCn2c(C)nc3ccccc32)[C@H](C)C1 ZINC000162237978 496320537 /nfs/dbraw/zinc/32/05/37/496320537.db2.gz WBGRLVZPKLEXFG-IEBWSBKVSA-N 2 0 358.530 3.071 20 0 FGADRP O=C(NC1CC[NH+](Cc2ccccc2)CC1)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000178087995 496324235 /nfs/dbraw/zinc/32/42/35/496324235.db2.gz NWDORADZXZNPHO-FQEVSTJZSA-N 2 0 369.553 3.422 20 0 FGADRP C[NH+]1CCN(CCC[NH2+][C@H]2CCCOc3c(Cl)c(Cl)ccc32)CC1 ZINC000162515214 496365321 /nfs/dbraw/zinc/36/53/21/496365321.db2.gz RYTRLLHZDBXRGC-INIZCTEOSA-N 2 0 372.340 3.434 20 0 FGADRP C[NH+]1CCN(CCC[NH2+][C@@H]2CCCOc3c(Cl)c(Cl)ccc32)CC1 ZINC000162515087 496365600 /nfs/dbraw/zinc/36/56/00/496365600.db2.gz RYTRLLHZDBXRGC-MRXNPFEDSA-N 2 0 372.340 3.434 20 0 FGADRP CC(C)CC[NH+]1CCC(CNC(=O)NC2CC[NH+](C(C)(C)C)CC2)CC1 ZINC000175426376 496387762 /nfs/dbraw/zinc/38/77/62/496387762.db2.gz ZVZPTWAJBRHPML-UHFFFAOYSA-N 2 0 366.594 3.307 20 0 FGADRP CC(C)[C@H](Cc1ccccc1)[NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000187347942 496403340 /nfs/dbraw/zinc/40/33/40/496403340.db2.gz OYESTTHPRYTTPR-QFIPXVFZSA-N 2 0 367.537 3.335 20 0 FGADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)NCC[C@@H](C)[NH+](C)Cc2ccccc2)C1 ZINC000175465594 496403542 /nfs/dbraw/zinc/40/35/42/496403542.db2.gz FMFXOIGJDIRYQY-TZIWHRDSSA-N 2 0 374.573 3.317 20 0 FGADRP C[C@@H]([NH2+]Cc1ccc2c(c1)CCC(=O)N2C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000187357097 496408547 /nfs/dbraw/zinc/40/85/47/496408547.db2.gz SYSKEFJKEZYGEK-VQIMIIECSA-N 2 0 355.526 3.338 20 0 FGADRP C[C@H](CC[NH2+][C@@H](C)CC(=O)Nc1cccnc1Cl)[NH+]1CCCCC1 ZINC000184508895 496417123 /nfs/dbraw/zinc/41/71/23/496417123.db2.gz FLCIECBTSZTYKH-LSDHHAIUSA-N 2 0 352.910 3.306 20 0 FGADRP CC(C)(C)C1CCC(C[N@@H+]2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)CC1 ZINC000578022159 505842941 /nfs/dbraw/zinc/84/29/41/505842941.db2.gz SFRNMCRGBLFAHS-NBDWZHNGSA-N 2 0 363.590 3.419 20 0 FGADRP C[C@H]([NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1cccc(N2CCCC2=O)c1 ZINC000162858035 496424380 /nfs/dbraw/zinc/42/43/80/496424380.db2.gz BSYUOYSJBOMWBN-OTWHNJEPSA-N 2 0 373.541 3.353 20 0 FGADRP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)NCc2cccc(C[NH+]3CCCC3)c2)C1 ZINC000157210711 496428852 /nfs/dbraw/zinc/42/88/52/496428852.db2.gz ZRNBHDASSBRXBS-NRFANRHFSA-N 2 0 372.557 3.060 20 0 FGADRP Cc1ccc(C(=O)NCC[NH2+][C@@H](C)c2ccc(OCC[NH+](C)C)cc2)cc1 ZINC000178460164 496465080 /nfs/dbraw/zinc/46/50/80/496465080.db2.gz VCXFZWAZMPVDSL-SFHVURJKSA-N 2 0 369.509 3.016 20 0 FGADRP CC[N@H+](C)C[C@H]1CCN(C(=O)N[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000175638729 496477807 /nfs/dbraw/zinc/47/78/07/496477807.db2.gz FFRNQGNKPPUMRO-HMXCVIKNSA-N 2 0 372.557 3.023 20 0 FGADRP C[NH+]1CCC(CC[NH2+]CCC(=O)Nc2cccc(C(F)(F)F)c2)CC1 ZINC000580828723 505847924 /nfs/dbraw/zinc/84/79/24/505847924.db2.gz IUSYKHCEDSPUKY-UHFFFAOYSA-N 2 0 357.420 3.356 20 0 FGADRP CC(C)(C)NC(=O)C[NH+]1CCC(C[NH2+][C@@H]2CCCOc3ccccc32)CC1 ZINC000163527450 496528621 /nfs/dbraw/zinc/52/86/21/496528621.db2.gz IEESJRNOHFPFQL-LJQANCHMSA-N 2 0 373.541 3.117 20 0 FGADRP CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1cccc(C[NH+](C)C)c1 ZINC000175787925 496545756 /nfs/dbraw/zinc/54/57/56/496545756.db2.gz KLUIKEBJNSNQCT-OAQYLSRUSA-N 2 0 365.521 3.342 20 0 FGADRP C[C@@H](C[NH2+]Cc1cccnc1N1CC[NH+](C)CC1)c1cccc(Cl)c1 ZINC000187768268 496563991 /nfs/dbraw/zinc/56/39/91/496563991.db2.gz CIMHGYVQDPUFFJ-INIZCTEOSA-N 2 0 358.917 3.380 20 0 FGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+][C@H](C)CCCOC)CC1 ZINC000178770678 496564951 /nfs/dbraw/zinc/56/49/51/496564951.db2.gz NYEPXGGOYJZHCL-IAGOWNOFSA-N 2 0 351.510 3.433 20 0 FGADRP C[C@@H]([NH2+]CCCC[NH+]1CCN(Cc2ccccc2)CC1)c1cncs1 ZINC000163930336 496571703 /nfs/dbraw/zinc/57/17/03/496571703.db2.gz SDTNHCVYSHHKKI-GOSISDBHSA-N 2 0 358.555 3.392 20 0 FGADRP C[C@@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000158089608 496625176 /nfs/dbraw/zinc/62/51/76/496625176.db2.gz OCXIYGRTKZUUJX-RDJZCZTQSA-N 2 0 351.922 3.008 20 0 FGADRP Cc1ccc(S(=O)(=O)C[C@@H](C)[NH2+]CCCC[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000185034006 496630283 /nfs/dbraw/zinc/63/02/83/496630283.db2.gz PHAFUTZSPNYINX-MOPGFXCFSA-N 2 0 366.571 3.401 20 0 FGADRP CC(C)[NH+]1CCC([NH2+][C@@H]2CCN(c3ccc(Br)cc3)C2)CC1 ZINC000164760256 496631295 /nfs/dbraw/zinc/63/12/95/496631295.db2.gz LLEBMYKVNJWHBN-QGZVFWFLSA-N 2 0 366.347 3.490 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)C[C@@H](C)C1CC[NH2+]CC1)c1ccsc1 ZINC000164904283 496638313 /nfs/dbraw/zinc/63/83/13/496638313.db2.gz LSMXVTHATLYIHQ-CRAIPNDOSA-N 2 0 351.560 3.273 20 0 FGADRP C[C@H](C[NH2+][C@H](C)CC(=O)N(C)Cc1cccc(Cl)c1)C[NH+]1CCCC1 ZINC000165265569 496653444 /nfs/dbraw/zinc/65/34/44/496653444.db2.gz OGHMMTISYAEWKM-IAGOWNOFSA-N 2 0 365.949 3.399 20 0 FGADRP C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)N(C)CC[NH+](C)C3CC3)cc2)C1 ZINC000185125314 496671618 /nfs/dbraw/zinc/67/16/18/496671618.db2.gz BUSGOBADEISDLW-GOSISDBHSA-N 2 0 372.557 3.154 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)C[C@@H]1CCC[NH2+]1)c1ccc(C(F)(F)F)cc1 ZINC000166245852 496681003 /nfs/dbraw/zinc/68/10/03/496681003.db2.gz PVWLLUCLLXZFMY-IRXDYDNUSA-N 2 0 371.447 3.347 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)C(C)(C)C[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000166243858 496681353 /nfs/dbraw/zinc/68/13/53/496681353.db2.gz UJDLJEJPIWIPOK-OAHLLOKOSA-N 2 0 359.436 3.189 20 0 FGADRP CC[NH+](CC)[C@@H]1CCN(C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)C1 ZINC000173415039 496682129 /nfs/dbraw/zinc/68/21/29/496682129.db2.gz YMWQKXTWOBPHPP-IAGOWNOFSA-N 2 0 364.559 3.011 20 0 FGADRP CC[N@@H+]1CC[C@@H]([NH2+]CCCc2cc3c(cc(OC)cc3OC)[nH]2)[C@H](C)C1 ZINC000166339184 496683990 /nfs/dbraw/zinc/68/39/90/496683990.db2.gz BRMFYPAEARAAQQ-DNVCBOLYSA-N 2 0 359.514 3.438 20 0 FGADRP CC(=O)Nc1ccc([C@H](C)[NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)cc1 ZINC000182155833 496691744 /nfs/dbraw/zinc/69/17/44/496691744.db2.gz ZKWADCMPYIHWMF-RVHYNSKXSA-N 2 0 359.514 3.064 20 0 FGADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000185182534 496695788 /nfs/dbraw/zinc/69/57/88/496695788.db2.gz WHGKRFGNVGVBMQ-UHFFFAOYSA-N 2 0 374.573 3.402 20 0 FGADRP Cc1ccc2c(c1)OCCC[C@@H]2[NH2+]Cc1cccnc1N1CC[NH+](C)CC1 ZINC000158451948 496704601 /nfs/dbraw/zinc/70/46/01/496704601.db2.gz OMYPZVPLFBPIMT-FQEVSTJZSA-N 2 0 366.509 3.145 20 0 FGADRP C[C@H](Cc1ccc(Br)cc1)[NH2+]CCCC[N@@H+]1CCC[C@@H]1CO ZINC000188195811 496713962 /nfs/dbraw/zinc/71/39/62/496713962.db2.gz YDANRJTYZKXVKF-CRAIPNDOSA-N 2 0 369.347 3.207 20 0 FGADRP CS(=O)(=O)[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000182243685 496718832 /nfs/dbraw/zinc/71/88/32/496718832.db2.gz KUAWGWXVICBEBR-UXHICEINSA-N 2 0 364.555 3.118 20 0 FGADRP COc1ccc(C)cc1[C@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000182257553 496721675 /nfs/dbraw/zinc/72/16/75/496721675.db2.gz MKSAHVGGHYTLSY-PXNSSMCTSA-N 2 0 354.494 3.421 20 0 FGADRP CC[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1ccc2c(c1)CCO2 ZINC000182258902 496721989 /nfs/dbraw/zinc/72/19/89/496721989.db2.gz OIGOEJIPSGCMMQ-VXKWHMMOSA-N 2 0 366.505 3.429 20 0 FGADRP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1ccc(F)cc1N(C)C ZINC000182260821 496722494 /nfs/dbraw/zinc/72/24/94/496722494.db2.gz PAFQSMGGCYFXGK-JXFKEZNVSA-N 2 0 371.500 3.309 20 0 FGADRP C[C@H](NC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182351880 496731024 /nfs/dbraw/zinc/73/10/24/496731024.db2.gz DSTWPSHZINTRRL-DSKINZAPSA-N 2 0 372.557 3.242 20 0 FGADRP CS[C@@H]1CCCC[NH+](CC2(C[N@H+]3CCCC[C@H](SC)C3)COC2)C1 ZINC000182354674 496731155 /nfs/dbraw/zinc/73/11/55/496731155.db2.gz CAIDHYHLEMBAEU-HDICACEKSA-N 2 0 372.644 3.438 20 0 FGADRP COc1cccc2c1CCC[C@@H]2[NH2+]Cc1cccnc1N1CC[NH+](C)CC1 ZINC000194868670 496742402 /nfs/dbraw/zinc/74/24/02/496742402.db2.gz BBQGHBZSNJWHMR-FQEVSTJZSA-N 2 0 366.509 3.009 20 0 FGADRP C[C@H](NCCC[NH+]1CCCCC1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000268710891 496763941 /nfs/dbraw/zinc/76/39/41/496763941.db2.gz DPBVGQFUWSSRLW-AWEZNQCLSA-N 2 0 360.470 3.210 20 0 FGADRP COc1cccc2c1CCC[C@@H]2[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000194932244 496764575 /nfs/dbraw/zinc/76/45/75/496764575.db2.gz XTXNRMWGLLEPIA-HBMCJLEFSA-N 2 0 358.526 3.430 20 0 FGADRP CC1CC[NH+]([C@@H](CNC(=O)CC2CC[NH+](C)CC2)c2cccs2)CC1 ZINC000273315972 496772719 /nfs/dbraw/zinc/77/27/19/496772719.db2.gz XXBIZJFBRRDLNJ-SFHVURJKSA-N 2 0 363.571 3.369 20 0 FGADRP Cc1cc(Br)cn2cc(CC[NH2+][C@H]3CC[N@H+](C)[C@@H](C)C3)nc12 ZINC000273492689 496821899 /nfs/dbraw/zinc/82/18/99/496821899.db2.gz XDVNDQODGWXBFI-ZFWWWQNUSA-N 2 0 365.319 3.020 20 0 FGADRP C[C@@H]([NH2+]Cc1cccc(-n2cncn2)c1)c1cccc(OCC[NH+](C)C)c1 ZINC000268918153 496822880 /nfs/dbraw/zinc/82/28/80/496822880.db2.gz OKQWKLYNWHLASN-QGZVFWFLSA-N 2 0 365.481 3.059 20 0 FGADRP CCCOc1ccc([C@H](C)[NH2+]C[C@@H]2CN(C)CCN2C)cc1OCCC ZINC000268960985 496835918 /nfs/dbraw/zinc/83/59/18/496835918.db2.gz XEUHEKOEVPCODO-PKOBYXMFSA-N 2 0 363.546 3.161 20 0 FGADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)C1 ZINC000247368160 496845488 /nfs/dbraw/zinc/84/54/88/496845488.db2.gz OZGCEEPQXLMEGO-TZIWHRDSSA-N 2 0 372.557 3.101 20 0 FGADRP COc1ccc([C@H](C[NH+]2CCCC2)NC(=O)C[C@H]([NH3+])c2ccccc2)cc1 ZINC000578132853 505869863 /nfs/dbraw/zinc/86/98/63/505869863.db2.gz BABCDJKHJYYRAT-SFTDATJTSA-N 2 0 367.493 3.038 20 0 FGADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H](C)c1ccc(NC(=O)NC(C)C)cc1 ZINC000269076315 496865164 /nfs/dbraw/zinc/86/51/64/496865164.db2.gz NNAJPLIVFMNAIE-VQIMIIECSA-N 2 0 364.534 3.224 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc3c(c2)OCCO3)[C@@H](C)C1 ZINC000247970984 496936268 /nfs/dbraw/zinc/93/62/68/496936268.db2.gz JIGQGAYWRWDFQX-LNLFQRSKSA-N 2 0 362.514 3.245 20 0 FGADRP C[N@@H+]1CCC[C@H]2C[NH+](CCc3nc(-c4cccc(Cl)c4)no3)CC[C@H]21 ZINC000248179266 496968911 /nfs/dbraw/zinc/96/89/11/496968911.db2.gz WCYDGBWYJKWGFQ-DOTOQJQBSA-N 2 0 360.889 3.349 20 0 FGADRP CC(C)[C@H](CNC(=O)N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)[NH+]1CCCC1 ZINC000248393783 496992627 /nfs/dbraw/zinc/99/26/27/496992627.db2.gz FCDLEITZFMUFCL-BJLQDIEVSA-N 2 0 364.578 3.059 20 0 FGADRP C[C@H](NC(=O)NC[C@H](c1ccccc1)[NH+](C)C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248393256 496993047 /nfs/dbraw/zinc/99/30/47/496993047.db2.gz DSTWPSHZINTRRL-HFSMHLIXSA-N 2 0 372.557 3.242 20 0 FGADRP C[C@H](CNC(=O)N[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)[NH+]1CCC(C)CC1 ZINC000248395649 496993657 /nfs/dbraw/zinc/99/36/57/496993657.db2.gz GKNDEGKHVVRBOH-QRVBRYPASA-N 2 0 364.578 3.059 20 0 FGADRP C[C@H](CNC(=O)N[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)[NH+]1CCC[C@@H](C)C1 ZINC000248395685 496994039 /nfs/dbraw/zinc/99/40/39/496994039.db2.gz GOJCDJDXQUDMGQ-NCXUSEDFSA-N 2 0 364.578 3.059 20 0 FGADRP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]C[C@@H](O)COc1ccccc1 ZINC000248402621 496997223 /nfs/dbraw/zinc/99/72/23/496997223.db2.gz VSWJQGFSIJAXTN-SFHLNBCPSA-N 2 0 368.521 3.173 20 0 FGADRP C[C@H](Cn1cc(Br)cn1)[NH2+][C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248408714 496999204 /nfs/dbraw/zinc/99/92/04/496999204.db2.gz VTWQACFITYZNRJ-KFWWJZLASA-N 2 0 369.351 3.277 20 0 FGADRP CCc1nc(C)c([C@@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CC[C@@H](O)C2)s1 ZINC000248449976 497014867 /nfs/dbraw/zinc/01/48/67/497014867.db2.gz OWLNFDXVJPWQED-RDTXWAMCSA-N 2 0 359.539 3.431 20 0 FGADRP COc1cc([C@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CC[C@@H](O)C2)ccc1F ZINC000248447717 497015095 /nfs/dbraw/zinc/01/50/95/497015095.db2.gz NOSQITMXGSLBEC-HNAYVOBHSA-N 2 0 358.457 3.252 20 0 FGADRP COc1cc(Cl)c(C[NH2+]CC2(O)CC[NH+](C(C)C)CC2)cc1Cl ZINC000269944166 497029427 /nfs/dbraw/zinc/02/94/27/497029427.db2.gz PQTPHNLZSWPJNQ-UHFFFAOYSA-N 2 0 361.313 3.327 20 0 FGADRP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+]1CCCC[C@H](C)C1 ZINC000248566669 497041874 /nfs/dbraw/zinc/04/18/74/497041874.db2.gz OZTGZOCRVXKYMN-RBUKOAKNSA-N 2 0 357.542 3.278 20 0 FGADRP C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)NCc2cn3ccccc3n2)C1 ZINC000265092347 497045760 /nfs/dbraw/zinc/04/57/60/497045760.db2.gz NATWBFYEUSQULC-ZWKOTPCHSA-N 2 0 369.513 3.130 20 0 FGADRP CC(C)[N@H+](C)CCCNCc1cc(Br)c2c(c1)OCCO2 ZINC000226180776 497081463 /nfs/dbraw/zinc/08/14/63/497081463.db2.gz KHSRREZOWFDERC-UHFFFAOYSA-N 2 0 357.292 3.040 20 0 FGADRP COc1cc(C)c([C@@H](C)[NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)cc1OC ZINC000278352602 497083959 /nfs/dbraw/zinc/08/39/59/497083959.db2.gz AWOKRJVOIIRMND-DLBZAZTESA-N 2 0 350.503 3.164 20 0 FGADRP Cc1cncc([C@H](C)[NH2+]CCCN2CC[N@H+](C)C[C@H]2c2ccccc2)c1 ZINC000248757099 497100771 /nfs/dbraw/zinc/10/07/71/497100771.db2.gz VFRAUEOGADGYNQ-UGKGYDQZSA-N 2 0 352.526 3.419 20 0 FGADRP COc1cccc2c1CC[C@@H]([NH2+]Cc1ccccc1OCC[NH+](C)C)C2 ZINC000192441009 497115368 /nfs/dbraw/zinc/11/53/68/497115368.db2.gz IVECXFKZYVHSOC-LJQANCHMSA-N 2 0 354.494 3.283 20 0 FGADRP Cn1c2ccc(C[NH2+]CCC[N@H+](C)Cc3ccccc3)cc2sc1=O ZINC000192454513 497119430 /nfs/dbraw/zinc/11/94/30/497119430.db2.gz UYPMVGCDQAADRY-UHFFFAOYSA-N 2 0 355.507 3.212 20 0 FGADRP C[C@@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1cc(Cl)c(N)c(Cl)c1 ZINC000270434704 497128250 /nfs/dbraw/zinc/12/82/50/497128250.db2.gz JGPULVIRSKAVNX-GFCCVEGCSA-N 2 0 359.345 3.252 20 0 FGADRP CCCN(C(=O)[C@H]1CC12CC[NH2+]CC2)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000236756296 497141738 /nfs/dbraw/zinc/14/17/38/497141738.db2.gz RFLPHAZBGKUGLE-LEWJYISDSA-N 2 0 369.553 3.279 20 0 FGADRP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCC([C@H]2NC(=O)C2(C)C)CC1 ZINC000578206130 505887182 /nfs/dbraw/zinc/88/71/82/505887182.db2.gz IEBGXURRFDRYBE-HXUWFJFHSA-N 2 0 371.569 3.381 20 0 FGADRP Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)[C@H]1CCC[N@@H+]1C1CC1 ZINC000278591333 497158980 /nfs/dbraw/zinc/15/89/80/497158980.db2.gz IEJLTRWHIHNJHA-LJQANCHMSA-N 2 0 359.539 3.109 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H](O)COCc1cccs1 ZINC000274786512 497165445 /nfs/dbraw/zinc/16/54/45/497165445.db2.gz AYNSXZVIMHZJKB-SLYNCCJLSA-N 2 0 374.550 3.126 20 0 FGADRP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(C[NH2+][C@H]3CCC34CCCC4)c2)C1 ZINC000249108993 497167792 /nfs/dbraw/zinc/16/77/92/497167792.db2.gz QVLYGMXRCFMLEL-UXHICEINSA-N 2 0 355.526 3.196 20 0 FGADRP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C1CC[NH+](C2CC2)CC1 ZINC000192640372 497172099 /nfs/dbraw/zinc/17/20/99/497172099.db2.gz DUGIIIDCUXAZSV-FQEVSTJZSA-N 2 0 369.553 3.231 20 0 FGADRP C[NH+](C)CCn1ccc2ccc(NC(=O)[C@H]3CCCCCC[C@H]3[NH3+])cc21 ZINC000237001138 497178352 /nfs/dbraw/zinc/17/83/52/497178352.db2.gz MDVWGSPTJDKLPA-RBUKOAKNSA-N 2 0 356.514 3.439 20 0 FGADRP C[C@H]([NH2+][C@@H]1CCC[C@H](C(=O)N(C)C)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274911334 497197258 /nfs/dbraw/zinc/19/72/58/497197258.db2.gz NFQXQIJJGTYZQD-ZIBCJSCZSA-N 2 0 357.542 3.134 20 0 FGADRP Cc1ccccc1[C@H]1C[N@@H+](CCCN2CC[NH+](C(C)C)CC2)[C@H](C)CO1 ZINC000192746781 497202602 /nfs/dbraw/zinc/20/26/02/497202602.db2.gz JLCLBIGCEYZGPN-IFMALSPDSA-N 2 0 359.558 3.173 20 0 FGADRP COc1ccccc1[C@H](CNC(=O)C[C@@H]([NH3+])c1ccccc1)[NH+]1CCCC1 ZINC000237257435 497210806 /nfs/dbraw/zinc/21/08/06/497210806.db2.gz YPWANWBWTXLENA-UXHICEINSA-N 2 0 367.493 3.038 20 0 FGADRP CC[C@@H]1CN(c2ccccc2)CC[N@@H+]1CCCN1CC[NH+](C(C)C)CC1 ZINC000192798982 497216582 /nfs/dbraw/zinc/21/65/82/497216582.db2.gz DEWKABQTOTYXCV-OAQYLSRUSA-N 2 0 358.574 3.003 20 0 FGADRP c1ccc(C[N@H+]2CC[C@@H](C[NH2+]C3CCN(Cc4cccnc4)CC3)C2)cc1 ZINC000192918313 497246425 /nfs/dbraw/zinc/24/64/25/497246425.db2.gz YYQJTXPLAIPUSP-QFIPXVFZSA-N 2 0 364.537 3.158 20 0 FGADRP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@@H]2[NH2+]CCc3ccccc32)CC1 ZINC000237519863 497250268 /nfs/dbraw/zinc/25/02/68/497250268.db2.gz YINFYBXZHDMEGL-HTAPYJJXSA-N 2 0 363.505 3.215 20 0 FGADRP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)[C@@H]([NH3+])Cc1ccccc1 ZINC000237520082 497250360 /nfs/dbraw/zinc/25/03/60/497250360.db2.gz ZNKVJGPEDPEMLN-AVRDEDQJSA-N 2 0 365.521 3.247 20 0 FGADRP C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)[C@@H]3C[C@@H]4CCCC[C@@H]4[NH2+]3)cc2)C1 ZINC000237525887 497251298 /nfs/dbraw/zinc/25/12/98/497251298.db2.gz JEDMPOKGIRICAA-MNAPGUCWSA-N 2 0 369.553 3.455 20 0 FGADRP c1csc(N2CCC([NH2+]C[C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)n1 ZINC000192935118 497252436 /nfs/dbraw/zinc/25/24/36/497252436.db2.gz BXQHCFAOAZDTMA-SFHVURJKSA-N 2 0 356.539 3.224 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)[C@H](c1ccccc1)[N@@H+](C)CC)c1ccco1 ZINC000249910940 497256378 /nfs/dbraw/zinc/25/63/78/497256378.db2.gz IORUFROOSNGEQZ-QUCCMNQESA-N 2 0 357.498 3.472 20 0 FGADRP C[C@@H](C(=O)N1CCC[N@H+](CC2CCCCC2)CC1)[C@@H]([NH3+])c1ccccc1 ZINC000237588686 497258825 /nfs/dbraw/zinc/25/88/25/497258825.db2.gz XRQNXYHFOUZVRI-WIYYLYMNSA-N 2 0 357.542 3.437 20 0 FGADRP C[C@@H]1C[C@H](NC(=O)C[C@@H]([NH3+])c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000237588216 497259344 /nfs/dbraw/zinc/25/93/44/497259344.db2.gz YXQOGGWEODRCTO-DUXKGJEZSA-N 2 0 351.494 3.246 20 0 FGADRP C[C@H](CC(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000237600183 497261350 /nfs/dbraw/zinc/26/13/50/497261350.db2.gz ZTVAHEAKURNAJS-WSTZPKSXSA-N 2 0 357.542 3.354 20 0 FGADRP Cc1ccc([C@H](CNC(=O)[C@H](C)[C@@H]([NH3+])c2ccccc2)[NH+]2CCCC2)o1 ZINC000237615367 497263222 /nfs/dbraw/zinc/26/32/22/497263222.db2.gz LKVWDMQDYSDMJB-IMFGXOCKSA-N 2 0 355.482 3.177 20 0 FGADRP O=C(NCC[NH+]1CCCC1)c1ccc(C[NH2+][C@H]2CCCc3occc32)cc1 ZINC000193001411 497270839 /nfs/dbraw/zinc/27/08/39/497270839.db2.gz AMTHLXYWZDTDIP-FQEVSTJZSA-N 2 0 367.493 3.272 20 0 FGADRP C[C@@H]1C[C@@H](N(C)C(=O)NC[C@H](C2CC2)[NH+](C)Cc2ccccc2)CC[N@@H+]1C ZINC000251500255 497273641 /nfs/dbraw/zinc/27/36/41/497273641.db2.gz FGSITVSMPCCDDC-JRGCBEDISA-N 2 0 372.557 3.021 20 0 FGADRP C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)c3ccc(C[NH3+])cc3)cc2)C1 ZINC000237674280 497273727 /nfs/dbraw/zinc/27/37/27/497273727.db2.gz HDRZPJYYHPZIRS-KRWDZBQOSA-N 2 0 351.494 3.307 20 0 FGADRP C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)c2ccc(C[NH3+])cc2)C1 ZINC000237672196 497274377 /nfs/dbraw/zinc/27/43/77/497274377.db2.gz QQOUPJYUWUKKEO-KRWDZBQOSA-N 2 0 351.494 3.307 20 0 FGADRP Cc1nccn1-c1ccc(CNC(=O)[C@H](C)[C@H]([NH3+])c2ccccc2)cc1F ZINC000237714291 497279579 /nfs/dbraw/zinc/27/95/79/497279579.db2.gz PNHLBPYLDCTGST-VLIAUNLRSA-N 2 0 366.440 3.272 20 0 FGADRP [NH3+][C@H](CCC(=O)N1CCC[N@H+](Cc2ccccc2)CC1)c1ccccc1 ZINC000237903201 497311935 /nfs/dbraw/zinc/31/19/35/497311935.db2.gz AEZJWECESIUDIR-OAQYLSRUSA-N 2 0 351.494 3.201 20 0 FGADRP O=C(Nc1cccc(C[NH+]2CCSCC2)c1)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000238063076 497334829 /nfs/dbraw/zinc/33/48/29/497334829.db2.gz SYWUPMNQOAXLNG-WDSOQIARSA-N 2 0 359.539 3.095 20 0 FGADRP C[C@H](C(=O)N(C)C[C@H]1CC[NH+](Cc2ccccc2)C1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000253547380 497338807 /nfs/dbraw/zinc/33/88/07/497338807.db2.gz UMWASCCGQSOVJE-RCLSDMTESA-N 2 0 357.542 3.228 20 0 FGADRP O=C(Nc1ccc(CC[NH+]2CCCCC2)cc1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000266442500 497342692 /nfs/dbraw/zinc/34/26/92/497342692.db2.gz PCKYXEQAFMDPMV-OAQYLSRUSA-N 2 0 368.525 3.193 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(O)c(OCC)c2)[C@H](C)C1 ZINC000271455724 497353839 /nfs/dbraw/zinc/35/38/39/497353839.db2.gz JEISOAWYHUSSBI-AEFFLSMTSA-N 2 0 350.503 3.018 20 0 FGADRP CCC[N@H+](C)C[C@@H]1CCN(C[C@@H](O)COc2ccc3ccccc3c2)C1 ZINC000245424077 497398107 /nfs/dbraw/zinc/39/81/07/497398107.db2.gz JWDVMFPHQXSTEY-GHTZIAJQSA-N 2 0 356.510 3.243 20 0 FGADRP Ic1ccc([C@@H]2CCCN2C[C@H]2CCC[NH2+]C2)cc1 ZINC000261658858 497428761 /nfs/dbraw/zinc/42/87/61/497428761.db2.gz BNMYMGGWXNMEIJ-BBRMVZONSA-N 2 0 370.278 3.428 20 0 FGADRP CCC[N@H+](CC)Cc1ccc(C(=O)N2CCNC[C@H]2c2cccnc2)cc1 ZINC000261680631 497432176 /nfs/dbraw/zinc/43/21/76/497432176.db2.gz BVLXUTHAZIDDCD-NRFANRHFSA-N 2 0 366.509 3.100 20 0 FGADRP C[C@@]1(C[NH+]2CCC(Oc3cccc(Br)c3)CC2)CC[NH2+]C1 ZINC000261699338 497435842 /nfs/dbraw/zinc/43/58/42/497435842.db2.gz CDEHAZCBDSLPJX-QGZVFWFLSA-N 2 0 353.304 3.292 20 0 FGADRP CCOC(=O)c1csc(CC[NH2+]Cc2cnc(C)n2-c2ccccc2)n1 ZINC000190341716 497443113 /nfs/dbraw/zinc/44/31/13/497443113.db2.gz BJUZUBNTOVDTGB-UHFFFAOYSA-N 2 0 370.478 3.146 20 0 FGADRP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N(C)CC[C@H]2CCCC[NH+]2C)C1 ZINC000245590767 497468102 /nfs/dbraw/zinc/46/81/02/497468102.db2.gz AZOCWJCGELSYHQ-ZWKOTPCHSA-N 2 0 352.567 3.013 20 0 FGADRP C[C@H](NC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1)C1=CC[N@H+](C)CC1 ZINC000275973236 497473125 /nfs/dbraw/zinc/47/31/25/497473125.db2.gz NSTGYAGRPOBZGW-SFHVURJKSA-N 2 0 355.526 3.055 20 0 FGADRP C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000190426814 497474978 /nfs/dbraw/zinc/47/49/78/497474978.db2.gz QAOZMJFWGJJUHZ-NHCUHLMSSA-N 2 0 369.553 3.231 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N[C@H]1CC[NH+](C)[C@@H]1c1ccccc1 ZINC000245665330 497493862 /nfs/dbraw/zinc/49/38/62/497493862.db2.gz QWTPADNXIWIOFR-HLAWJBBLSA-N 2 0 372.557 3.386 20 0 FGADRP C[NH2+]CCC1CC[NH+](CC(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)CC1 ZINC000262021142 497494273 /nfs/dbraw/zinc/49/42/73/497494273.db2.gz XVXZGDGVDZHETJ-ZDUSSCGKSA-N 2 0 372.340 3.492 20 0 FGADRP NC(=O)Nc1ccc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cc1 ZINC000245742154 497524028 /nfs/dbraw/zinc/52/40/28/497524028.db2.gz RTEBYFURQRTKST-WKCHPHFGSA-N 2 0 364.493 3.462 20 0 FGADRP C[C@H]1C[C@@H](C(=O)NCC2CC[NH+](Cc3ccccc3Cl)CC2)CC[NH2+]1 ZINC000262315319 497538357 /nfs/dbraw/zinc/53/83/57/497538357.db2.gz BXDWNIRBXURGBZ-RDJZCZTQSA-N 2 0 363.933 3.056 20 0 FGADRP CNC(=O)c1ccc(C[NH2+][C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000272137038 497544909 /nfs/dbraw/zinc/54/49/09/497544909.db2.gz ARHWQELWLHQUOI-UWJYYQICSA-N 2 0 351.494 3.046 20 0 FGADRP C[NH+](C)CCCOc1ccc(C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCCC3)cc1 ZINC000194022381 497550720 /nfs/dbraw/zinc/55/07/20/497550720.db2.gz BFLHKYOSPHMASC-NJDAHSKKSA-N 2 0 358.526 3.454 20 0 FGADRP CC(C)(C)[C@H]([NH3+])C(=O)Nc1ccc(NC(=O)C[NH+]2CCCCCCC2)cc1 ZINC000262640763 497590126 /nfs/dbraw/zinc/59/01/26/497590126.db2.gz KIRJICJEFOTELR-LJQANCHMSA-N 2 0 374.529 3.203 20 0 FGADRP C[C@H](CC(=O)N[C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C)[C@@H]1CCC[NH2+]C1 ZINC000262646400 497591144 /nfs/dbraw/zinc/59/11/44/497591144.db2.gz ODNKTTXHCKDHEZ-RQZVMEALSA-N 2 0 371.569 3.285 20 0 FGADRP CCCCc1nc2cc(NC(=O)[C@]3([NH3+])C[C@@H](OCC)C3(C)C)ccc2[nH]1 ZINC000262811396 497625927 /nfs/dbraw/zinc/62/59/27/497625927.db2.gz VGMIUSLYHWRZIS-OXQOHEQNSA-N 2 0 358.486 3.377 20 0 FGADRP O=C(Nc1cccc(C[NH+]2CCCCC2)c1)c1ccn([C@H]2CCC[NH2+]C2)n1 ZINC000262812473 497627023 /nfs/dbraw/zinc/62/70/23/497627023.db2.gz QJOLBPQMWKEMMW-IBGZPJMESA-N 2 0 367.497 3.046 20 0 FGADRP C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)c2ccc3c(c2)CC[NH2+]CC3)C1 ZINC000276728340 497637991 /nfs/dbraw/zinc/63/79/91/497637991.db2.gz YGCRMEGOEXLQDK-RBUKOAKNSA-N 2 0 369.553 3.101 20 0 FGADRP C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)[C@@](C)([NH3+])c2ccccc2)C1 ZINC000262870859 497643602 /nfs/dbraw/zinc/64/36/02/497643602.db2.gz MHQWAUSXDJMSLW-JPYJTQIMSA-N 2 0 365.521 3.409 20 0 FGADRP CCOC[C@@H]1CC[NH+](Cc2ccccc2C[N@H+]2CC[C@@H](COCC)C2)C1 ZINC000246235804 497670696 /nfs/dbraw/zinc/67/06/96/497670696.db2.gz QSXCIBPJCGFDOZ-WOJBJXKFSA-N 2 0 360.542 3.403 20 0 FGADRP CC(C)(C)n1cc(CNC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)nn1 ZINC000190994516 497676944 /nfs/dbraw/zinc/67/69/44/497676944.db2.gz KULGKTAIOJJBEP-CTXDPNEZSA-N 2 0 353.514 3.318 20 0 FGADRP CC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)c1ccc2c(c1)OCCO2 ZINC000246400961 497721671 /nfs/dbraw/zinc/72/16/71/497721671.db2.gz LRNDTDIBKYLQBI-XUVXKRRUSA-N 2 0 374.525 3.266 20 0 FGADRP Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)[C@@H]1CCCC[C@@]1(C)[NH3+] ZINC000263204757 497732039 /nfs/dbraw/zinc/73/20/39/497732039.db2.gz JOIALOSXQAHGBY-FXAWDEMLSA-N 2 0 361.555 3.390 20 0 FGADRP CCN1CCC([NH+]2CCC(C(=O)N(C)C3CCC(F)(F)CC3)CC2)CC1 ZINC000578377566 505926025 /nfs/dbraw/zinc/92/60/25/505926025.db2.gz SJBCCEALIZQYQR-UHFFFAOYSA-N 2 0 371.516 3.219 20 0 FGADRP Cc1ccoc1C(=O)NCCC[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272853201 497745552 /nfs/dbraw/zinc/74/55/52/497745552.db2.gz SWVXKWLQWPZPCV-AZUAARDMSA-N 2 0 369.509 3.208 20 0 FGADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)N[C@@H]2C[C@H](C)[NH+](Cc3ccccc3)C2)C1 ZINC000246472679 497746484 /nfs/dbraw/zinc/74/64/84/497746484.db2.gz GVCFRNLCZQRFRE-CEWLAPEOSA-N 2 0 372.557 3.069 20 0 FGADRP CCN(Cc1ccccc1)C(=O)[C@H](C)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000194740013 497754797 /nfs/dbraw/zinc/75/47/97/497754797.db2.gz UWNKLQCXUIGQBK-IBGZPJMESA-N 2 0 357.542 3.231 20 0 FGADRP C[C@]1([NH3+])CCCC[C@H]1C(=O)Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1 ZINC000263315543 497756030 /nfs/dbraw/zinc/75/60/30/497756030.db2.gz ZKKHEEDYQKEFFY-UNMCSNQZSA-N 2 0 370.541 3.065 20 0 FGADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@H](C)Cc1ccccc1C(F)(F)F ZINC000280450939 497758179 /nfs/dbraw/zinc/75/81/79/497758179.db2.gz DJECXENQLQKOAE-HZPDHXFCSA-N 2 0 357.464 3.252 20 0 FGADRP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000246520472 497760771 /nfs/dbraw/zinc/76/07/71/497760771.db2.gz XIUARTCRGLFKJX-NHCUHLMSSA-N 2 0 372.557 3.339 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NCC(C)(C)[NH2+][C@@H](C)c2ccccc2)[C@@H](C)C1 ZINC000246522956 497762187 /nfs/dbraw/zinc/76/21/87/497762187.db2.gz VBRQDOJYBZFBMD-BJLQDIEVSA-N 2 0 374.573 3.488 20 0 FGADRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)C1NCc1cn(C(C)(C)C)nn1 ZINC000191331154 497782869 /nfs/dbraw/zinc/78/28/69/497782869.db2.gz DVOQBUSHLPPOQV-XEWABKELSA-N 2 0 355.530 3.279 20 0 FGADRP CC(C)[NH+]1CCC(O)(C[NH2+]Cc2ccc(N(C)c3ccccc3)nc2)CC1 ZINC000280634143 497835654 /nfs/dbraw/zinc/83/56/54/497835654.db2.gz MNCAYODMCSNEBE-UHFFFAOYSA-N 2 0 368.525 3.174 20 0 FGADRP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)NCc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000581240130 505941198 /nfs/dbraw/zinc/94/11/98/505941198.db2.gz VBTZUQIGVNZVHW-QZTJIDSGSA-N 2 0 372.557 3.330 20 0 FGADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H](C[C@H]1CCOC1)c1ccc(F)cc1 ZINC000292130257 497891298 /nfs/dbraw/zinc/89/12/98/497891298.db2.gz LMKHXCYQICROED-AHRSYUTCSA-N 2 0 352.494 3.240 20 0 FGADRP C[C@H]1C[C@H]([NH2+]CCCC[NH+]2CCN(c3ccccc3)CC2)c2nccn21 ZINC000296069473 497911209 /nfs/dbraw/zinc/91/12/09/497911209.db2.gz SBSDXRNUXBJOFE-ICSRJNTNSA-N 2 0 353.514 3.081 20 0 FGADRP CC(=O)N1CCC[C@H](C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000280898729 497941529 /nfs/dbraw/zinc/94/15/29/497941529.db2.gz FPVMROPVLIMKKI-YUMYIRISSA-N 2 0 355.526 3.030 20 0 FGADRP COCCn1cc(C[NH+]2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)cn1 ZINC000364429079 497953259 /nfs/dbraw/zinc/95/32/59/497953259.db2.gz CUVZOHOVCVKKIO-UHFFFAOYSA-N 2 0 368.525 3.018 20 0 FGADRP C[C@H]([NH2+][C@H]1CCN(CCN2CCOCC2)C1)c1ccc(-c2ccccc2)o1 ZINC000364455143 497966679 /nfs/dbraw/zinc/96/66/79/497966679.db2.gz DVCAMMZFCDBGRB-ICSRJNTNSA-N 2 0 369.509 3.004 20 0 FGADRP Cc1nn(C)c(N2CCC[N@H+](C)CC2)c1C[NH2+][C@@H](C)c1cccc(C)c1 ZINC000364459055 497969714 /nfs/dbraw/zinc/96/97/14/497969714.db2.gz PXRLWOVLEDLAIW-KRWDZBQOSA-N 2 0 355.530 3.030 20 0 FGADRP Cc1ccncc1C[NH2+]Cc1cccc(OCC[N@@H+](C)C2CCOCC2)c1 ZINC000280982358 497974844 /nfs/dbraw/zinc/97/48/44/497974844.db2.gz UMVOTUYVFCDMNV-UHFFFAOYSA-N 2 0 369.509 3.169 20 0 FGADRP CC[NH+](CC)Cc1ccccc1C[NH2+]Cc1cnc(C2OCCO2)s1 ZINC000289166487 498043199 /nfs/dbraw/zinc/04/31/99/498043199.db2.gz DXPNILPAFKLWGI-UHFFFAOYSA-N 2 0 361.511 3.320 20 0 FGADRP CC(C)[NH+]1CCN(C2CC[NH+](CCCC(=O)c3ccccc3)CC2)CC1 ZINC000296439051 498043637 /nfs/dbraw/zinc/04/36/37/498043637.db2.gz ZBKWKMOMSFACAG-UHFFFAOYSA-N 2 0 357.542 3.140 20 0 FGADRP Cc1nn(-c2ccccn2)c(Cl)c1C[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000285397339 498072935 /nfs/dbraw/zinc/07/29/35/498072935.db2.gz AUHVJDSHGSDBTN-UHFFFAOYSA-N 2 0 359.905 3.193 20 0 FGADRP C[C@@H](OC[C@H](O)C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C)c1ccc(Cl)cc1 ZINC000285410749 498075755 /nfs/dbraw/zinc/07/57/55/498075755.db2.gz FVIILVIDBNXKGS-HGTBCMPDSA-N 2 0 366.933 3.336 20 0 FGADRP CC[C@H](C)[NH+]1CCN(C(=O)Nc2ccc([C@@H](C)N3CCOCC3)cc2)CC1 ZINC000296568429 498099111 /nfs/dbraw/zinc/09/91/11/498099111.db2.gz GVCKDZJXTPGZRW-ZWKOTPCHSA-N 2 0 374.529 3.028 20 0 FGADRP CC(C)(C)[N@@H+]1CCCN(C(=O)C[C@@H](c2ncc[nH]2)c2ccccc2)CC1 ZINC000572477286 505978619 /nfs/dbraw/zinc/97/86/19/505978619.db2.gz DMTONJGEAJZYBX-GOSISDBHSA-N 2 0 354.498 3.265 20 0 FGADRP C[C@H](CNC(=O)NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1)[NH+](C)C1CC1 ZINC000581402592 505979798 /nfs/dbraw/zinc/97/97/98/505979798.db2.gz STLLFUHZWYBZKK-UYAOXDASSA-N 2 0 372.557 3.071 20 0 FGADRP C([C@H]1CCCOC1)[NH+]1CCCC2(CCC[N@@H+](C[C@H]3CCCOC3)C2)C1 ZINC000575611446 505983627 /nfs/dbraw/zinc/98/36/27/505983627.db2.gz DWTMWJGTHLFWTG-OSBQEZSISA-N 2 0 350.547 3.018 20 0 FGADRP COC[C@]1(C)CC[NH+](Cc2ccc(C[N@H+]3CC[C@@](C)(COC)C3)cc2)C1 ZINC000296650344 498138446 /nfs/dbraw/zinc/13/84/46/498138446.db2.gz IYGKOGINIGXWII-FGZHOGPDSA-N 2 0 360.542 3.403 20 0 FGADRP Cc1ncc2c(n1)CC[C@H]([NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc3ccccc3)C1)C2 ZINC000364780768 498139160 /nfs/dbraw/zinc/13/91/60/498139160.db2.gz WSVGVPKFRRBBHL-SCWSEQNSSA-N 2 0 350.510 3.143 20 0 FGADRP CC[C@H](C)[NH2+][C@@H](CNC(=O)N1CCC[N@@H+](C(C)(C)C)CC1)c1ccco1 ZINC000572511961 505986912 /nfs/dbraw/zinc/98/69/12/505986912.db2.gz IQYNNZKZTPUIHW-IRXDYDNUSA-N 2 0 364.534 3.225 20 0 FGADRP C[C@@H]1CCN(C(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)C[C@H]1C[NH3+] ZINC000569676639 505990424 /nfs/dbraw/zinc/99/04/24/505990424.db2.gz ZHAJROGUIVAXPE-WIYYLYMNSA-N 2 0 372.557 3.189 20 0 FGADRP C[N@@H+]1CCC[C@H](CNC(=O)CC2CC[NH2+]CC2)[C@H]1c1cccc(Cl)c1 ZINC000364852390 498174080 /nfs/dbraw/zinc/17/40/80/498174080.db2.gz UAIGUFKZJLPGLI-YLJYHZDGSA-N 2 0 363.933 3.229 20 0 FGADRP C[C@@H](c1cc2ccccc2o1)N(C)C(=O)CN1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000292868215 498176671 /nfs/dbraw/zinc/17/66/71/498176671.db2.gz CYUXMOMRLCWLKE-HTAPYJJXSA-N 2 0 369.509 3.370 20 0 FGADRP CC[C@H](C(=O)NC[C@@H]1CCC[NH+](CC(C)C)C1)[N@H+](C)Cc1ccccc1 ZINC000572534512 505991695 /nfs/dbraw/zinc/99/16/95/505991695.db2.gz GSUCLYBMVHFHJK-LEWJYISDSA-N 2 0 359.558 3.381 20 0 FGADRP O=C(NC1CC[NH+](C2CCC2)CC1)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000296865241 498229266 /nfs/dbraw/zinc/22/92/66/498229266.db2.gz GUTAUZXZFPXVBN-NRFANRHFSA-N 2 0 355.526 3.174 20 0 FGADRP C[C@@H]1C[C@H]([NH2+]CCc2ccc(OCC[NH+]3CCCC3)cc2)c2nccn21 ZINC000296883393 498235772 /nfs/dbraw/zinc/23/57/72/498235772.db2.gz OHQGNPFXXSLRPZ-XLIONFOSSA-N 2 0 354.498 3.196 20 0 FGADRP COC[C@]1(C)CC[N@H+](Cc2ccccc2C[NH+]2CC[C@](C)(COC)C2)C1 ZINC000296915505 498250554 /nfs/dbraw/zinc/25/05/54/498250554.db2.gz WMSMEDNKZVBMNH-SZPZYZBQSA-N 2 0 360.542 3.403 20 0 FGADRP C[C@@H]1C[C@H]([NH3+])CCN1CC(=O)N(C)C(c1ccccc1)c1ccccc1 ZINC000569738172 506004487 /nfs/dbraw/zinc/00/44/87/506004487.db2.gz BVRMUJZRPMESJS-YLJYHZDGSA-N 2 0 351.494 3.046 20 0 FGADRP C[C@H]1C[C@@H]([NH3+])CCN1CC(=O)N(C)C(c1ccccc1)c1ccccc1 ZINC000569738170 506004551 /nfs/dbraw/zinc/00/45/51/506004551.db2.gz BVRMUJZRPMESJS-PXNSSMCTSA-N 2 0 351.494 3.046 20 0 FGADRP CCCc1cc(N2CCN([C@H]3CCC[N@H+](C)C3)CC2)c2ccccc2[nH+]1 ZINC000301769808 498256148 /nfs/dbraw/zinc/25/61/48/498256148.db2.gz CZLLYRQHZJYYQC-IBGZPJMESA-N 2 0 352.526 3.404 20 0 FGADRP [NH3+]C[C@@H](NC(=O)N1CC[C@@H]([NH+]2CCCCC2)C1)c1ccc2ccccc2c1 ZINC000578730483 506007295 /nfs/dbraw/zinc/00/72/95/506007295.db2.gz FYYIOPXUNPBXNG-NHCUHLMSSA-N 2 0 366.509 3.109 20 0 FGADRP OC1CC[NH+](Cc2ccccc2C[NH2+][C@@H]2CCCC[C@@H]2[C@H]2CCOC2)CC1 ZINC000365063804 498278761 /nfs/dbraw/zinc/27/87/61/498278761.db2.gz BDTQTRCMCLDIAT-MDNUFGMLSA-N 2 0 372.553 3.328 20 0 FGADRP C[N@@H+]1C[C@@H]2C[NH+](Cc3ccc(-n4cncn4)cc3)C[C@@H]2[C@H]1c1ccccc1 ZINC000360790453 498308838 /nfs/dbraw/zinc/30/88/38/498308838.db2.gz GZVORPGPMSSBFW-BAGYTPMASA-N 2 0 359.477 3.002 20 0 FGADRP O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)NC1CC[NH+](C2CCC2)CC1 ZINC000297067412 498310996 /nfs/dbraw/zinc/31/09/96/498310996.db2.gz MWSHYOCZEUCQKW-OAQYLSRUSA-N 2 0 370.541 3.140 20 0 FGADRP C[NH+](C)CCCOc1cnccc1C[NH2+][C@H](c1cccnc1)C1CCC1 ZINC000289855591 498325567 /nfs/dbraw/zinc/32/55/67/498325567.db2.gz BMEZSGSTPHQGST-NRFANRHFSA-N 2 0 354.498 3.438 20 0 FGADRP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N(C)[C@H](c1ncc[nH]1)c1ccccc1 ZINC000297131255 498327753 /nfs/dbraw/zinc/32/77/53/498327753.db2.gz HPNXXICCYKWJAB-LMMKCTJWSA-N 2 0 369.513 3.261 20 0 FGADRP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N(C)[C@@H](c1ncc[nH]1)c1ccccc1 ZINC000297131258 498328088 /nfs/dbraw/zinc/32/80/88/498328088.db2.gz HPNXXICCYKWJAB-ZHALLVOQSA-N 2 0 369.513 3.261 20 0 FGADRP NC(=O)C1CCC([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)CC1 ZINC000578725712 506006591 /nfs/dbraw/zinc/00/65/91/506006591.db2.gz QUQUNOBIHXVNQA-JRGKDQQJSA-N 2 0 355.526 3.063 20 0 FGADRP Cc1ccc(C)c(OC[C@H](O)C[NH2+]C2CC[NH+](C3CCCCC3)CC2)c1 ZINC000569803470 506020112 /nfs/dbraw/zinc/02/01/12/506020112.db2.gz XVZVBXIYTRYSPD-OAQYLSRUSA-N 2 0 360.542 3.430 20 0 FGADRP Cc1cc([C@H](C)[NH2+]C[C@H](C)CN2CC[NH+](C)CC2)sc1Br ZINC000286291576 498352461 /nfs/dbraw/zinc/35/24/61/498352461.db2.gz CBKRXQHBPXWPBR-JSGCOSHPSA-N 2 0 374.392 3.353 20 0 FGADRP C[C@H](NC(=O)[C@H](C)[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)c1ccc2ccccc2c1 ZINC000569811162 506021536 /nfs/dbraw/zinc/02/15/36/506021536.db2.gz NUVDQCDXAHRXCR-KLDKWKSESA-N 2 0 365.521 3.337 20 0 FGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H](CCCOC)c2ccc(F)cc2)CC1 ZINC000282098016 498383492 /nfs/dbraw/zinc/38/34/92/498383492.db2.gz ZCXQFKGWLDPGLQ-NQIIRXRSSA-N 2 0 365.537 3.157 20 0 FGADRP CC[NH+]1CCN(CC(C)(C)[NH2+]CCCOc2ccc(Cl)cc2)CC1 ZINC000578835668 506032002 /nfs/dbraw/zinc/03/20/02/506032002.db2.gz KYRHBZZFZYAEHA-UHFFFAOYSA-N 2 0 353.938 3.115 20 0 FGADRP CCOc1ccc(OCC)c(NC(=[NH2+])NC2CC([NH+]3CCCCC3)C2)c1 ZINC000365415730 498456333 /nfs/dbraw/zinc/45/63/33/498456333.db2.gz JTYSFKDXZKIPIG-UHFFFAOYSA-N 2 0 360.502 3.437 20 0 FGADRP O=C(NC1CC([NH+]2CCCCC2)C1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000365430775 498463661 /nfs/dbraw/zinc/46/36/61/498463661.db2.gz PQUQIOYHHLPWDR-MWXLCCTBSA-N 2 0 355.526 3.032 20 0 FGADRP Cc1nc2c(s1)[C@@H]([NH2+]Cc1ccncc1OCCC[NH+](C)C)CCC2 ZINC000290271182 498490321 /nfs/dbraw/zinc/49/03/21/498490321.db2.gz LNDJHRQKCVTZCJ-INIZCTEOSA-N 2 0 360.527 3.344 20 0 FGADRP CC(=O)NC1CCC([NH2+][C@@H]2CCN(Cc3ccccc3)CC2(C)C)CC1 ZINC000282409911 498500599 /nfs/dbraw/zinc/50/05/99/498500599.db2.gz KYVCLFWWTVZWSD-XVAXZDLZSA-N 2 0 357.542 3.324 20 0 FGADRP CCOc1cc(C[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H]2CO)ccc1O ZINC000297691349 498537928 /nfs/dbraw/zinc/53/79/28/498537928.db2.gz PWOKZUAEYOGALZ-HXUWFJFHSA-N 2 0 370.493 3.037 20 0 FGADRP CC[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000578921154 506052063 /nfs/dbraw/zinc/05/20/63/506052063.db2.gz LMIBHEJEMUNLNW-GHTZIAJQSA-N 2 0 357.542 3.339 20 0 FGADRP C[C@]1(C[NH2+]C2CCN(Cc3cccc(Br)c3)CC2)CC[NH2+]C1 ZINC000581726501 506054892 /nfs/dbraw/zinc/05/48/92/506054892.db2.gz PNPJVKVTBJNLQT-SFHVURJKSA-N 2 0 366.347 3.003 20 0 FGADRP CC[C@H]1CN(c2cc(N3CCCC3)ncn2)CC[N@@H+]1Cc1ccccc1 ZINC000302867582 498605902 /nfs/dbraw/zinc/60/59/02/498605902.db2.gz ZPIRHITWEBWAMK-IBGZPJMESA-N 2 0 351.498 3.178 20 0 FGADRP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](CCn2ccc3cc(Cl)ccc32)CC1 ZINC000572829409 506062789 /nfs/dbraw/zinc/06/27/89/506062789.db2.gz FCLINCRBYXHJPL-FQEVSTJZSA-N 2 0 374.960 3.397 20 0 FGADRP C[C@]1(CNC(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)CCC[NH2+]C1 ZINC000578966499 506063003 /nfs/dbraw/zinc/06/30/03/506063003.db2.gz DVCVGHSGSIGGKS-NRFANRHFSA-N 2 0 358.530 3.226 20 0 FGADRP C[NH+](C)[C@@H](CNC(=O)N1CC[NH+](CCC(C)(C)C)CC1)c1ccccc1 ZINC000303005127 498638770 /nfs/dbraw/zinc/63/87/70/498638770.db2.gz VNFSEELTJVIQRO-IBGZPJMESA-N 2 0 360.546 3.053 20 0 FGADRP Cc1ccc(C[NH+]2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)c(-c2ccnn2C)c1 ZINC000572851342 506067813 /nfs/dbraw/zinc/06/78/13/506067813.db2.gz KLEPEMSKYWFDNV-RBBKRZOGSA-N 2 0 368.525 3.114 20 0 FGADRP CC1CCC([NH+]2CCC(NC(=O)N(C)C[C@@H]3CCC[N@H+](C)C3)CC2)CC1 ZINC000363220830 498709577 /nfs/dbraw/zinc/70/95/77/498709577.db2.gz IJCFZVIZTOHAHG-QPIRBTGLSA-N 2 0 364.578 3.013 20 0 FGADRP CC[C@@H](C(=O)N[C@H](C[NH+](C)C)c1ccc(F)cc1)[N@H+](C)Cc1ccccc1 ZINC000572895574 506077887 /nfs/dbraw/zinc/07/78/87/506077887.db2.gz DAFGBPXUGSBTBR-RTWAWAEBSA-N 2 0 371.500 3.455 20 0 FGADRP O=C(c1ccccc1)N1CC[C@@H](C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)C1 ZINC000283021549 498748235 /nfs/dbraw/zinc/74/82/35/498748235.db2.gz GWSKLPZZXGRRSH-PZJWPPBQSA-N 2 0 355.526 3.099 20 0 FGADRP NC1(C[NH2+][C@@H]2CCCC[C@@H]2[C@@H]2CCOC2)CC[NH+](Cc2ccccc2)CC1 ZINC000570077660 506085038 /nfs/dbraw/zinc/08/50/38/506085038.db2.gz HMRDLQXLDPASAW-YPAWHYETSA-N 2 0 371.569 3.165 20 0 FGADRP COc1cc(C[NH2+][C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc2c1OCO2 ZINC000312597026 498759956 /nfs/dbraw/zinc/75/99/56/498759956.db2.gz XRGHWPRUDFDJLI-QFBILLFUSA-N 2 0 368.477 3.424 20 0 FGADRP CC[C@@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)[C@H](O)c1c(F)cccc1F ZINC000298578586 498819033 /nfs/dbraw/zinc/81/90/33/498819033.db2.gz XPHZMNJECPCIDA-QUCCMNQESA-N 2 0 361.436 3.430 20 0 FGADRP C[C@H](C[NH2+][C@@H](C)c1csc(-c2ccccc2F)n1)N1CC[NH+](C)CC1 ZINC000291156634 498820292 /nfs/dbraw/zinc/82/02/92/498820292.db2.gz ITJWRIGRPUKNCQ-CABCVRRESA-N 2 0 362.518 3.236 20 0 FGADRP COCC[N@H+](C)CCCC1CC[NH+](Cc2c(C)cc(C)nc2OC)CC1 ZINC000579102269 506094923 /nfs/dbraw/zinc/09/49/23/506094923.db2.gz YFWWZYNYOUJHJI-UHFFFAOYSA-N 2 0 363.546 3.277 20 0 FGADRP C[C@@H]1C[NH+](Cc2ccc(C[NH2+][C@@H]3CCOC4(CCC4)C3)cc2)C[C@@H](C)O1 ZINC000294843678 498823653 /nfs/dbraw/zinc/82/36/53/498823653.db2.gz UHPVNRXGIBSPNQ-DBXWQHBBSA-N 2 0 358.526 3.487 20 0 FGADRP O=C(c1ccc(Oc2ccncc2)c(Cl)c1)N1CCNC[C@@H]1C(F)F ZINC000579113751 506097020 /nfs/dbraw/zinc/09/70/20/506097020.db2.gz VCEHOMCUSHUJMC-CQSZACIVSA-N 2 0 367.783 3.206 20 0 FGADRP C[C@@H](C(=O)NC1CC[NH+](Cc2cccs2)CC1)[C@H]([NH3+])c1ccccc1 ZINC000366345457 498884097 /nfs/dbraw/zinc/88/40/97/498884097.db2.gz IYONORBJDARNKM-BEFAXECRSA-N 2 0 357.523 3.165 20 0 FGADRP CC(C)[C@@H]1OCCC[C@H]1Nc1cc(N2CC[C@@]3(C2)CCC[N@H+](C)C3)ncn1 ZINC000328726396 498916304 /nfs/dbraw/zinc/91/63/04/498916304.db2.gz ZONQGKRQKLGPKI-QMMLZNLJSA-N 2 0 373.545 3.014 20 0 FGADRP Fc1ccccc1C[NH+]1CCC(C[NH2+]Cc2cnn(CC(F)F)c2)CC1 ZINC000366417605 498916617 /nfs/dbraw/zinc/91/66/17/498916617.db2.gz LDHVEVXUQJAVMC-UHFFFAOYSA-N 2 0 366.431 3.289 20 0 FGADRP CCC[NH+]1CCC(N(C)C(=O)N[C@H](C)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000287991308 498920048 /nfs/dbraw/zinc/92/00/48/498920048.db2.gz KXWQFHJYXXKSDH-XLIONFOSSA-N 2 0 360.546 3.194 20 0 FGADRP COc1cc(OC)c(C[C@@H](C)[NH2+]C2CC[NH+](C(C)C)CC2)c(OC)c1 ZINC000295142234 498924071 /nfs/dbraw/zinc/92/40/71/498924071.db2.gz ZYRFOZUEEXFKOJ-OAHLLOKOSA-N 2 0 350.503 3.106 20 0 FGADRP C[N@@H+]1CCC[C@H](CC[NH2+]C[C@@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000576271965 506117790 /nfs/dbraw/zinc/11/77/90/506117790.db2.gz MYWKKUDTVFXHAP-UKRRQHHQSA-N 2 0 361.313 3.055 20 0 FGADRP C(C[NH+]1CCCC2(CCC[N@@H+](CC[C@H]3CCCO3)C2)C1)[C@H]1CCCO1 ZINC000579217071 506121909 /nfs/dbraw/zinc/12/19/09/506121909.db2.gz ZQYJXZQOERKYKK-OSBQEZSISA-N 2 0 350.547 3.303 20 0 FGADRP Cc1nn(C)c(N2CCC[N@H+](C)CC2)c1C[NH2+][C@H](C)c1ccc(C)c(C)c1 ZINC000363788511 498994457 /nfs/dbraw/zinc/99/44/57/498994457.db2.gz XOUPXEPMJJNGMU-GOSISDBHSA-N 2 0 369.557 3.338 20 0 FGADRP CC1CC[NH+](C2CCC(NC(=O)N3CCC(C[NH+](C)C)CC3)CC2)CC1 ZINC000366609709 499002033 /nfs/dbraw/zinc/00/20/33/499002033.db2.gz ZRQKCHZMOZLJBF-UHFFFAOYSA-N 2 0 364.578 3.013 20 0 FGADRP C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1oc2ccccc2c1C[NH+](C)C ZINC000288365022 499005312 /nfs/dbraw/zinc/00/53/12/499005312.db2.gz KXHDZZBNJCLAJM-JKSUJKDBSA-N 2 0 355.482 3.193 20 0 FGADRP c1cc(OCC[NH+]2CCCC2)ccc1CC[NH2+][C@@H]1CCOC2(CCC2)C1 ZINC000295472944 499029220 /nfs/dbraw/zinc/02/92/20/499029220.db2.gz RQXLJYMFBUAUCF-HXUWFJFHSA-N 2 0 358.526 3.395 20 0 FGADRP CC(C)[C@@H](CNC(=O)N1C[C@H]([NH+]2CCCC2)C[C@@H]1C)[NH+]1CCC(C)CC1 ZINC000582079885 506128863 /nfs/dbraw/zinc/12/88/63/506128863.db2.gz DDBGCBFPBCGYAN-XUVXKRRUSA-N 2 0 364.578 3.011 20 0 FGADRP C[C@@H]([NH2+]Cc1cc(Cl)cc(C[NH2+][C@@H](C)[C@H]2CCOC2)c1)[C@@H]1CCOC1 ZINC000295648146 499071312 /nfs/dbraw/zinc/07/13/12/499071312.db2.gz CTUCLKFQWFFCBC-FDCRZUCXSA-N 2 0 366.933 3.369 20 0 FGADRP COCCC[C@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccc(F)cc1 ZINC000367022032 499135162 /nfs/dbraw/zinc/13/51/62/499135162.db2.gz GYTUIQOENKAHMR-CTNGQTDRSA-N 2 0 363.521 3.052 20 0 FGADRP CC(=O)N1CC[C@H]([NH2+]CCC[NH+]2C[C@H](C)C[C@@H](C)C2)c2ccccc2C1 ZINC000369839396 499136742 /nfs/dbraw/zinc/13/67/42/499136742.db2.gz FBSSABCQFWJRIN-HMFYCAOWSA-N 2 0 357.542 3.438 20 0 FGADRP C[C@@H]1C[C@@H](N(C)C(=O)NC[C@@H]2CCC[NH+](Cc3ccccc3)C2)CC[N@@H+]1C ZINC000369872919 499142815 /nfs/dbraw/zinc/14/28/15/499142815.db2.gz QLJDZNUEYXFYTQ-GIVPXCGWSA-N 2 0 372.557 3.023 20 0 FGADRP Cc1cccc(C[NH+]2CCC(NC(=O)N(C)[C@@H]3CC[N@H+](C)[C@@H](C)C3)CC2)c1 ZINC000369892259 499146563 /nfs/dbraw/zinc/14/65/63/499146563.db2.gz LPEKFJOXIFFIIZ-GHTZIAJQSA-N 2 0 372.557 3.084 20 0 FGADRP C[C@@H]1CCCC[C@H]1NC(=O)NCCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000370026823 499168279 /nfs/dbraw/zinc/16/82/79/499168279.db2.gz MAUWWZPWZYCVPH-YLJYHZDGSA-N 2 0 364.578 3.061 20 0 FGADRP CC(C)CC(=O)N1CCC(C[N@@H+]2CC[C@@H]3[C@@H](CCCN3C3CC3)C2)CC1 ZINC000367252185 499168546 /nfs/dbraw/zinc/16/85/46/499168546.db2.gz LKNHDXHWHYTBRD-PZJWPPBQSA-N 2 0 361.574 3.220 20 0 FGADRP COc1ccccc1CNC(=[NH2+])NC[C@H]1CC[N@H+](C)[C@@H]1c1cccs1 ZINC000370160838 499190190 /nfs/dbraw/zinc/19/01/90/499190190.db2.gz IMSYQSPLMFAODD-QAPCUYQASA-N 2 0 358.511 3.064 20 0 FGADRP CCCc1ccccc1NC(=O)N1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000367444311 499199834 /nfs/dbraw/zinc/19/98/34/499199834.db2.gz BMLVTETZDSOMMO-KRWDZBQOSA-N 2 0 358.530 3.271 20 0 FGADRP O=C(OCc1ccccc1)N1CCC([NH2+]Cc2cnc3n2CCCC3)CC1 ZINC000370261532 499203240 /nfs/dbraw/zinc/20/32/40/499203240.db2.gz MYBDMWULZPZXEI-UHFFFAOYSA-N 2 0 368.481 3.110 20 0 FGADRP Cc1ccc(-c2cc(C[N@H+]3CCC[C@H](CN4CC[NH+](C)CC4)C3)on2)cc1 ZINC000367772779 499232635 /nfs/dbraw/zinc/23/26/35/499232635.db2.gz RLMSYFMPRDWNBT-LJQANCHMSA-N 2 0 368.525 3.109 20 0 FGADRP CC[NH2+]Cc1cccc(NC(=O)C2CC[NH+](Cc3cccnc3)CC2)c1 ZINC000370794149 499255195 /nfs/dbraw/zinc/25/51/95/499255195.db2.gz TZJTYPJBJUOUCC-UHFFFAOYSA-N 2 0 352.482 3.042 20 0 FGADRP C[N@H+](Cc1ccc(Br)s1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000371259570 499303543 /nfs/dbraw/zinc/30/35/43/499303543.db2.gz ULEJOACKPOBJIF-AWEZNQCLSA-N 2 0 372.376 3.111 20 0 FGADRP C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000368297319 499283074 /nfs/dbraw/zinc/28/30/74/499283074.db2.gz WJPRBGZNYOJMQK-XDNAFOTISA-N 2 0 351.535 3.238 20 0 FGADRP C[NH+]1CCC(Oc2ccc(C[NH2+][C@H]3CCO[C@H](C(F)(F)F)C3)cc2)CC1 ZINC000368581707 499309983 /nfs/dbraw/zinc/30/99/83/499309983.db2.gz CFWXRDJXMOEWPJ-YJBOKZPZSA-N 2 0 372.431 3.359 20 0 FGADRP C[C@@H]1C[NH+](CCCC[NH2+]C2CCC(O)(c3ccccc3)CC2)C[C@@H](C)O1 ZINC000368650926 499317328 /nfs/dbraw/zinc/31/73/28/499317328.db2.gz RHFVHLDIIQDWRA-RVEPMOMFSA-N 2 0 360.542 3.296 20 0 FGADRP CN1CC[NH+](CC2(C)CC[NH+](Cc3ccc(OC(F)F)cc3)CC2)CC1 ZINC000368827568 499336968 /nfs/dbraw/zinc/33/69/68/499336968.db2.gz XQVGROIPCFYYLK-UHFFFAOYSA-N 2 0 367.484 3.138 20 0 FGADRP Cc1cccc(C)c1OCCC[N@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000369399017 499399837 /nfs/dbraw/zinc/39/98/37/499399837.db2.gz RQEYGCDNEVRYQD-OAQYLSRUSA-N 2 0 359.558 3.173 20 0 FGADRP C[N@H+](Cc1ccco1)Cc1ccccc1C[NH2+]Cc1c[nH]c2nccnc12 ZINC000582153660 506145280 /nfs/dbraw/zinc/14/52/80/506145280.db2.gz FILCASLDAPJDNO-UHFFFAOYSA-N 2 0 361.449 3.424 20 0 FGADRP CC(C)[N@@H+]1CC[C@H](C[NH2+][C@@H](C)CCCCN2C(=O)c3ccccc3C2=O)C1 ZINC000576385708 506145503 /nfs/dbraw/zinc/14/55/03/506145503.db2.gz DLOLNLHFJIOKKH-ZWKOTPCHSA-N 2 0 371.525 3.161 20 0 FGADRP O=C(c1ccoc1)N1CCC([NH2+]C[C@H]2CCC[N@@H+]2C2CCCCC2)CC1 ZINC000369722858 499439022 /nfs/dbraw/zinc/43/90/22/499439022.db2.gz UKOGZRPBZWXFRN-HXUWFJFHSA-N 2 0 359.514 3.271 20 0 FGADRP C[NH+](C)Cc1ccccc1C(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000373033442 499448289 /nfs/dbraw/zinc/44/82/89/499448289.db2.gz WGDXBZYEKYCVGD-QGZVFWFLSA-N 2 0 371.550 3.452 20 0 FGADRP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+][C@@H]2CCO[C@@]4(CCOC4)C2)C3)cc1 ZINC000373201776 499457059 /nfs/dbraw/zinc/45/70/59/499457059.db2.gz FTXPLSDDVOBWSN-BDHVOXNPSA-N 2 0 356.510 3.110 20 0 FGADRP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2Cc1ccn(-c2ccc(Cl)cc2)n1 ZINC000373344985 499464416 /nfs/dbraw/zinc/46/44/16/499464416.db2.gz DBNAUWCNEWXRJH-AABGKKOBSA-N 2 0 374.916 3.209 20 0 FGADRP CCOC(=O)N1CCC([C@@H](C)[NH2+]C2CC[NH+](C3CCCC3)CC2)CC1 ZINC000373516089 499474499 /nfs/dbraw/zinc/47/44/99/499474499.db2.gz NKTIDKITUSSZFK-MRXNPFEDSA-N 2 0 351.535 3.240 20 0 FGADRP Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)C[C@H]1CCC[NH2+]CC1 ZINC000373517729 499474635 /nfs/dbraw/zinc/47/46/35/499474635.db2.gz VLLROENUYBZEQE-KRWDZBQOSA-N 2 0 361.555 3.262 20 0 FGADRP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+]CCCCCC(=O)OC(C)(C)C ZINC000378182018 499488186 /nfs/dbraw/zinc/48/81/86/499488186.db2.gz FZFQAWXMKBLLNF-CEXWTWQISA-N 2 0 368.562 3.368 20 0 FGADRP Cn1c2ccccc2nc1CC[NH+]1CCC2(C[C@H]2C[N@H+](C)C2CC2)CC1 ZINC000378353000 499505758 /nfs/dbraw/zinc/50/57/58/499505758.db2.gz DUDIIWMBCGSRCD-KRWDZBQOSA-N 2 0 352.526 3.312 20 0 FGADRP CC[NH+](CC)[C@H]1CCN(C(=O)[C@H]2CCn3c(cnc3C3CCCCC3)C2)C1 ZINC000378513209 499526131 /nfs/dbraw/zinc/52/61/31/499526131.db2.gz CQFBYZREHPVFCM-OALUTQOASA-N 2 0 372.557 3.436 20 0 FGADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CCSC[C@H]2c2cccs2)CC1 ZINC000375600451 499536761 /nfs/dbraw/zinc/53/67/61/499536761.db2.gz UJLBTXCBVCRZPM-KRWDZBQOSA-N 2 0 353.601 3.254 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)C[C@H]([NH3+])c1ccccc1 ZINC000382721997 499546163 /nfs/dbraw/zinc/54/61/63/499546163.db2.gz NWWDWHFVMMFCJB-NQIIRXRSSA-N 2 0 351.494 3.200 20 0 FGADRP [NH3+]CCc1ccccc1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000390957258 499556169 /nfs/dbraw/zinc/55/61/69/499556169.db2.gz WJLPRCJPEABFOS-SEJPIABJSA-N 2 0 363.505 3.113 20 0 FGADRP CCOc1ccc(C[NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000397493827 499563891 /nfs/dbraw/zinc/56/38/91/499563891.db2.gz NVZCGWYYNFOVPR-UHFFFAOYSA-N 2 0 354.494 3.202 20 0 FGADRP C[C@H]([NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1)c1ccc2c(c1)OCO2 ZINC000397554488 499564403 /nfs/dbraw/zinc/56/44/03/499564403.db2.gz KJRGLZKMDRJLIK-KRWDZBQOSA-N 2 0 368.477 3.093 20 0 FGADRP CC(=O)c1c(C)cc(C)c(C[N@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)c1C ZINC000375906443 499567381 /nfs/dbraw/zinc/56/73/81/499567381.db2.gz PFMBLLSJTFTDGD-NRFANRHFSA-N 2 0 371.569 3.415 20 0 FGADRP C[NH+](C)Cc1c2ccccc2oc1C(=O)NC[C@H]1[NH2+]CCc2ccccc21 ZINC000375958673 499571590 /nfs/dbraw/zinc/57/15/90/499571590.db2.gz QMOVSYJZJYPMDR-LJQANCHMSA-N 2 0 363.461 3.111 20 0 FGADRP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)NCc1ccccc1C[NH+]1CCC(C)CC1 ZINC000582171318 506150304 /nfs/dbraw/zinc/15/03/04/506150304.db2.gz DVETZYGRJSBOHV-GHTZIAJQSA-N 2 0 372.557 3.330 20 0 FGADRP C[C@@]1([NH2+]Cc2cnn(CC(F)(F)F)c2)CCN(Cc2ccccc2)C1 ZINC000405953273 499571839 /nfs/dbraw/zinc/57/18/39/499571839.db2.gz HZLVHTWUQANLQZ-QGZVFWFLSA-N 2 0 352.404 3.200 20 0 FGADRP Cc1cc(NC(=O)N2CCC([NH+](C)C)CC2)cnc1N1CCCC[C@@H]1C ZINC000408158488 499578534 /nfs/dbraw/zinc/57/85/34/499578534.db2.gz LIIWFLFVMVDLOW-INIZCTEOSA-N 2 0 359.518 3.327 20 0 FGADRP O[C@H](Cc1ccccc1)C[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000409446136 499596734 /nfs/dbraw/zinc/59/67/34/499596734.db2.gz NKIRJJURZDKTIV-RJGXRXQPSA-N 2 0 350.506 3.044 20 0 FGADRP CN1c2ccc(C[NH+]3CCC4(C[C@H]4C[N@H+](C)C4CC4)CC3)cc2CCC1=O ZINC000376325931 499600704 /nfs/dbraw/zinc/60/07/04/499600704.db2.gz UEGJYPFTPJPVOW-IBGZPJMESA-N 2 0 367.537 3.292 20 0 FGADRP CC[C@H]([NH2+][C@H]1CCN(Cc2ccccn2)C[C@@H]1C)C1(C(=O)OC)CCC1 ZINC000376637548 499624997 /nfs/dbraw/zinc/62/49/97/499624997.db2.gz RXJPLZNPNQZJCO-WDSOQIARSA-N 2 0 359.514 3.004 20 0 FGADRP C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@@H]1NCc1ccc(OC(C)(C)C)nc1 ZINC000376823563 499637794 /nfs/dbraw/zinc/63/77/94/499637794.db2.gz PUXQQZJZTKUBDO-QRQLOZEOSA-N 2 0 361.530 3.238 20 0 FGADRP C[C@@H]1C[C@@H](C)C[NH+](CCCC[NH2+]C2CCN(c3nccs3)CC2)C1 ZINC000376878702 499643152 /nfs/dbraw/zinc/64/31/52/499643152.db2.gz WVTRMIPDBFKYFW-IAGOWNOFSA-N 2 0 350.576 3.460 20 0 FGADRP CC[NH+](CC)CCOc1ccccc1NC(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000377168041 499667612 /nfs/dbraw/zinc/66/76/12/499667612.db2.gz HXOQEXYVQSFQDI-MSOLQXFVSA-N 2 0 374.529 3.156 20 0 FGADRP COc1cc(C[NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)cc(OC)c1O ZINC000377336617 499681012 /nfs/dbraw/zinc/68/10/12/499681012.db2.gz KUDZPQOCWJCHKN-QGZVFWFLSA-N 2 0 356.466 3.021 20 0 FGADRP C[NH+]1CCC(N(Cc2ccccc2F)C(=O)C2CC[NH+](C3CC3)CC2)CC1 ZINC000377534705 499701464 /nfs/dbraw/zinc/70/14/64/499701464.db2.gz WSXNFNIVORQFIC-UHFFFAOYSA-N 2 0 373.516 3.123 20 0 FGADRP COc1ccc2c(c1)CCC[C@@H]2[N@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000377626230 499712248 /nfs/dbraw/zinc/71/22/48/499712248.db2.gz MEAAAGDZOBJFSL-KNQAVFIVSA-N 2 0 357.542 3.173 20 0 FGADRP Cc1cc(C[N@@H+](C)C2CCN(c3cc[nH+]cc3)CC2)ccc1-n1cncn1 ZINC000377705055 499723167 /nfs/dbraw/zinc/72/31/67/499723167.db2.gz RBBJDYWUXGMPHX-UHFFFAOYSA-N 2 0 362.481 3.072 20 0 FGADRP COCCC1(C[NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)CCCCC1 ZINC000377715009 499724096 /nfs/dbraw/zinc/72/40/96/499724096.db2.gz JCZXDGDUEBXOQA-WCRBZPEASA-N 2 0 363.590 3.216 20 0 FGADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2ccc(-c3ncco3)cc2F)C1 ZINC000411309887 499724938 /nfs/dbraw/zinc/72/49/38/499724938.db2.gz STBPNEJLGQPXMS-GOSISDBHSA-N 2 0 361.461 3.413 20 0 FGADRP Cc1ncc(CN2CC[C@@H]([NH2+]Cc3c(C)nn(C)c3Cl)[C@@H](C)C2)s1 ZINC000377794305 499735234 /nfs/dbraw/zinc/73/52/34/499735234.db2.gz YKRHGOHXHXJNRV-MEDUHNTESA-N 2 0 367.950 3.147 20 0 FGADRP CC[NH+]1CCC(NC(=O)C[NH2+][C@H](c2ccccc2Cl)C(C)C)CC1 ZINC000411467535 499744464 /nfs/dbraw/zinc/74/44/64/499744464.db2.gz AZNYLCYJMBDYDP-IBGZPJMESA-N 2 0 351.922 3.227 20 0 FGADRP CC[NH+]1CCC(NC(=O)C[NH2+][C@@H](c2ccc(F)cc2F)C(C)(C)C)CC1 ZINC000411471175 499744795 /nfs/dbraw/zinc/74/47/95/499744795.db2.gz DSUJRIYYDQOBAY-IBGZPJMESA-N 2 0 367.484 3.242 20 0 FGADRP C[C@@H]([NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1)c1ccccc1C(C)(C)C ZINC000414181721 499766280 /nfs/dbraw/zinc/76/62/80/499766280.db2.gz CHKYDXHZNUAHHV-LJQANCHMSA-N 2 0 373.585 3.431 20 0 FGADRP CCCc1ccc([C@@H](C)[NH2+]CC2(N3CCOCC3)CC[NH+](C)CC2)cc1 ZINC000414206687 499768361 /nfs/dbraw/zinc/76/83/61/499768361.db2.gz YUFCZVGSAKMTDY-LJQANCHMSA-N 2 0 359.558 3.086 20 0 FGADRP Cc1ccc2cc([C@@H](C)[NH2+]CC3(N4CCOCC4)CC[NH+](C)CC3)oc2c1 ZINC000414204283 499768370 /nfs/dbraw/zinc/76/83/70/499768370.db2.gz WCUVZGGCXGFVBE-GOSISDBHSA-N 2 0 371.525 3.188 20 0 FGADRP C[C@H]1C[C@H]([NH2+]Cc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)C[C@@H](C)C1 ZINC000414323337 499777782 /nfs/dbraw/zinc/77/77/82/499777782.db2.gz IJZXTIIGPQSTNN-LFUKPOHLSA-N 2 0 357.542 3.298 20 0 FGADRP CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]Cc3ccc(C[NH+]4CCCCC4)cc3)[C@H]2C1 ZINC000411738031 499784904 /nfs/dbraw/zinc/78/49/04/499784904.db2.gz RUWYWBXOOBCIBO-VABKMULXSA-N 2 0 369.553 3.409 20 0 FGADRP CC(CC[NH+]1CC[C@@H](O)CC(C)(C)C1)CC[N@@H+]1CC[C@@H](O)CC(C)(C)C1 ZINC000411801669 499792110 /nfs/dbraw/zinc/79/21/10/499792110.db2.gz ZJNFBYVMKSFOAF-WOJBJXKFSA-N 2 0 368.606 3.369 20 0 FGADRP Cc1nn(-c2cc[nH+]cc2)cc1CN1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000414513252 499801397 /nfs/dbraw/zinc/80/13/97/499801397.db2.gz OWLLCJMFDIIVBS-SFHVURJKSA-N 2 0 361.493 3.282 20 0 FGADRP C[C@H](c1ccc(Cl)cc1Cl)[N@H+](C)C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414677135 499820046 /nfs/dbraw/zinc/82/00/46/499820046.db2.gz ONIVOMAZJKUWSG-OLZOCXBDSA-N 2 0 358.313 3.184 20 0 FGADRP C[C@@H]1C[C@@H](C[NH+]2CCN(C(=O)c3cccc(Cl)c3Cl)CC2)CC[NH2+]1 ZINC000414738473 499825020 /nfs/dbraw/zinc/82/50/20/499825020.db2.gz OZQZYJQLBVHSMA-KGLIPLIRSA-N 2 0 370.324 3.139 20 0 FGADRP CCCN(C(=O)c1cccs1)C1CC[NH+](C[C@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000414752526 499826824 /nfs/dbraw/zinc/82/68/24/499826824.db2.gz KYQCFMBQOSNOEA-SJORKVTESA-N 2 0 363.571 3.453 20 0 FGADRP Cc1cc(C[N@@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)cc(C)c1OC(F)F ZINC000414777419 499829842 /nfs/dbraw/zinc/82/98/42/499829842.db2.gz FHQAGIAUMWAUOM-INIZCTEOSA-N 2 0 354.441 3.092 20 0 FGADRP CCCCOc1cc(C[N@@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)ccc1OC ZINC000414785401 499831047 /nfs/dbraw/zinc/83/10/47/499831047.db2.gz JRKAJEFJXUIZHV-GOSISDBHSA-N 2 0 362.514 3.061 20 0 FGADRP CCCCOc1ccc(C[NH+]2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)cc1OC ZINC000414788060 499831364 /nfs/dbraw/zinc/83/13/64/499831364.db2.gz MWLBZZZTQGQEEA-NQIIRXRSSA-N 2 0 362.514 3.202 20 0 FGADRP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)c2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000412188285 499832047 /nfs/dbraw/zinc/83/20/47/499832047.db2.gz VZJKHUWCOBFEAZ-FQEVSTJZSA-N 2 0 357.542 3.380 20 0 FGADRP C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000414798439 499832716 /nfs/dbraw/zinc/83/27/16/499832716.db2.gz JBSYKVSIQNSVIA-WWGRRREGSA-N 2 0 373.419 3.409 20 0 FGADRP Clc1ccc(-n2cc(C[NH2+]CC[C@H]3CCC[NH2+]C3)nn2)c(Cl)c1 ZINC000414829434 499834890 /nfs/dbraw/zinc/83/48/90/499834890.db2.gz AUPFEDZTPQJQNM-GFCCVEGCSA-N 2 0 354.285 3.053 20 0 FGADRP CCOc1c(Br)cc(C[NH2+]CC[C@H]2CCC[NH2+]C2)cc1OC ZINC000414844692 499837105 /nfs/dbraw/zinc/83/71/05/499837105.db2.gz DZLCKVYZZMSSDJ-CYBMUJFWSA-N 2 0 371.319 3.336 20 0 FGADRP C[C@@H]([NH2+]Cc1cc(Br)c2c(c1)OCCCO2)[C@@H]1CCC[NH2+]C1 ZINC000414851943 499837882 /nfs/dbraw/zinc/83/78/82/499837882.db2.gz JQBUQFWFIVIPAM-TZMCWYRMSA-N 2 0 369.303 3.088 20 0 FGADRP C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000414851905 499837915 /nfs/dbraw/zinc/83/79/15/499837915.db2.gz JNMRBQKSXCWJRN-HZSPNIEDSA-N 2 0 368.319 3.144 20 0 FGADRP C[NH2+]C[C@H](C)C[NH2+]Cc1ccc(OC(F)(F)F)c(Br)c1 ZINC000414852274 499838064 /nfs/dbraw/zinc/83/80/64/499838064.db2.gz QPCZTFSJFHSZQS-VIFPVBQESA-N 2 0 355.198 3.293 20 0 FGADRP Brc1ccc(C[NH2+]CC[C@H]2CCC[NH2+]2)cc1Br ZINC000414900394 499842862 /nfs/dbraw/zinc/84/28/62/499842862.db2.gz DIGYPYNTUCQTDQ-LLVKDONJSA-N 2 0 362.109 3.443 20 0 FGADRP C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]C[C@@]1(C)CCC[NH2+]C1 ZINC000414920468 499844501 /nfs/dbraw/zinc/84/45/01/499844501.db2.gz ZLVKSOANFHAATL-BEFAXECRSA-N 2 0 351.922 3.056 20 0 FGADRP COc1cc(C[NH2+]CCC[C@H]2CCC[NH2+]2)ccc1OCc1ccncc1 ZINC000414980404 499850992 /nfs/dbraw/zinc/85/09/92/499850992.db2.gz WPAVQDWNCBLYJM-IBGZPJMESA-N 2 0 355.482 3.291 20 0 FGADRP FC(F)(F)[C@@H](C[NH2+]C1CCC(c2ccccc2)CC1)N1CC[NH2+]CC1 ZINC000414985534 499851481 /nfs/dbraw/zinc/85/14/81/499851481.db2.gz MYQKSOIHHNZMLO-DAWZGUTISA-N 2 0 355.448 3.139 20 0 FGADRP [NH3+][C@@H]1CCC[C@H](C[NH2+]Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)C1 ZINC000415000604 499853502 /nfs/dbraw/zinc/85/35/02/499853502.db2.gz KIOUNRXHOGOVGU-LSDHHAIUSA-N 2 0 352.404 3.498 20 0 FGADRP C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+]C[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000415003986 499854129 /nfs/dbraw/zinc/85/41/29/499854129.db2.gz NOGQODFYESDIAA-UMVBOHGHSA-N 2 0 368.319 3.273 20 0 FGADRP Cc1cccn2cc(COc3ccc(C[NH2+][C@H]4CC[C@@H](C[NH3+])C4)cc3)nc12 ZINC000415028696 499856033 /nfs/dbraw/zinc/85/60/33/499856033.db2.gz DBXGJQHKLSINBG-MOPGFXCFSA-N 2 0 364.493 3.439 20 0 FGADRP C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+][C@@H]1CC[C@@H](C[NH3+])C1 ZINC000415041809 499857314 /nfs/dbraw/zinc/85/73/14/499857314.db2.gz QDQGDYDUVAAOPL-YRGRVCCFSA-N 2 0 359.392 3.019 20 0 FGADRP CC(C)CCOc1ccc(C[NH2+]C2CCC([NH+]3CCNCC3)CC2)cc1 ZINC000415049457 499858130 /nfs/dbraw/zinc/85/81/30/499858130.db2.gz HHLVQBHYGNGTDL-UHFFFAOYSA-N 2 0 359.558 3.418 20 0 FGADRP CC[C@H](C(=O)N1CCC([NH2+]C[C@H]2CC[NH2+][C@H](C)C2)CC1)c1ccccc1 ZINC000415095963 499862784 /nfs/dbraw/zinc/86/27/84/499862784.db2.gz ACGOZYDMBGKNMV-LQWHRVPQSA-N 2 0 357.542 3.149 20 0 FGADRP Fc1ccc(CN2CCC([NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)CC2)cc1F ZINC000415103607 499864129 /nfs/dbraw/zinc/86/41/29/499864129.db2.gz KPKHXLGIEAAXRD-JRGCBEDISA-N 2 0 363.496 3.440 20 0 FGADRP C[C@]1(C[N@@H+]2C[C@H]3CCC[C@@]3(c3nc(-c4ccccc4)no3)C2)CC[NH2+]C1 ZINC000415111275 499865117 /nfs/dbraw/zinc/86/51/17/499865117.db2.gz UGHSPCPNBMBTOG-JRGCBEDISA-N 2 0 352.482 3.090 20 0 FGADRP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000415111908 499865130 /nfs/dbraw/zinc/86/51/30/499865130.db2.gz RJUMFILJQJWXKV-FCHUYYIVSA-N 3 0 373.585 3.363 20 0 FGADRP [NH3+][C@H]1CCO[C@@H](C2CC[NH+](Cc3cc(Br)cs3)CC2)C1 ZINC000415124230 499866831 /nfs/dbraw/zinc/86/68/31/499866831.db2.gz MJDGXIXBJJEECU-DZGCQCFKSA-N 2 0 359.333 3.229 20 0 FGADRP CCCOc1ccc(C[NH+]2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)cc1OC ZINC000415127265 499867300 /nfs/dbraw/zinc/86/73/00/499867300.db2.gz QRMNQQBAZKSXFT-QUCCMNQESA-N 2 0 362.514 3.202 20 0 FGADRP CC[NH+](CC)CCOc1ccc(NC(=O)N[C@H]2CCCC[C@H]2C[NH3+])cc1 ZINC000415179483 499874046 /nfs/dbraw/zinc/87/40/46/499874046.db2.gz JVSOPZLCGOWSGD-LPHOPBHVSA-N 2 0 362.518 3.046 20 0 FGADRP C[NH+](C)[C@@H]1CCc2cc(NC(=O)N3CCC([C@H]4CC[NH2+]C4)CC3)ccc21 ZINC000415781265 499918462 /nfs/dbraw/zinc/91/84/62/499918462.db2.gz CULUFTIYSYGYKX-FXAWDEMLSA-N 2 0 356.514 3.089 20 0 FGADRP C[NH+](C)[C@H]1CCc2cc(NC(=O)N3CCC([C@@H]4[NH2+]CC4(C)C)CC3)ccc21 ZINC000415796308 499919297 /nfs/dbraw/zinc/91/92/97/499919297.db2.gz XWOYOYXSBGCSED-PMACEKPBSA-N 2 0 370.541 3.477 20 0 FGADRP CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000415883496 499924014 /nfs/dbraw/zinc/92/40/14/499924014.db2.gz NRPDCDKMDVQFLH-FXAWDEMLSA-N 2 0 358.530 3.354 20 0 FGADRP CC[NH2+]Cc1cccc(NC(=O)NCc2ccccc2OCC[NH+](C)C)c1 ZINC000415900931 499926231 /nfs/dbraw/zinc/92/62/31/499926231.db2.gz AUABUFNFVFMLHI-UHFFFAOYSA-N 2 0 370.497 3.058 20 0 FGADRP C[NH2+]Cc1cccc(NC(=O)NCc2ccc(OCCC[NH+](C)C)cc2)c1 ZINC000415915309 499927810 /nfs/dbraw/zinc/92/78/10/499927810.db2.gz DSUXEIRRWXUORS-UHFFFAOYSA-N 2 0 370.497 3.058 20 0 FGADRP CC[NH2+]Cc1cccc(NC(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)c1 ZINC000415931702 499929877 /nfs/dbraw/zinc/92/98/77/499929877.db2.gz LHZCSJDRRXAFPO-IBGZPJMESA-N 2 0 358.461 3.360 20 0 FGADRP C[NH2+]Cc1cccc(NC(=O)NCc2ccc(N3CCC(C)CC3)nc2)c1 ZINC000415932082 499929951 /nfs/dbraw/zinc/92/99/51/499929951.db2.gz NTCYIHIEWYTXFT-UHFFFAOYSA-N 2 0 367.497 3.359 20 0 FGADRP CC[NH2+]Cc1cccc(NC(=O)NCCn2c(C)nc3ccccc32)c1 ZINC000415931786 499929975 /nfs/dbraw/zinc/92/99/75/499929975.db2.gz LVAZABFYEGRKQQ-UHFFFAOYSA-N 2 0 351.454 3.276 20 0 FGADRP Cc1ccccc1[C@H]([C@@H](C)NC(=O)Nc1ccc(OCC[NH3+])cc1)[NH+](C)C ZINC000415945235 499931850 /nfs/dbraw/zinc/93/18/50/499931850.db2.gz KPTFYLUGISJMOH-UZLBHIALSA-N 2 0 370.497 3.145 20 0 FGADRP C[NH+](C)CC1CCC(NC(=O)Nc2cc(C[NH3+])cc(C(F)(F)F)c2)CC1 ZINC000415952459 499932778 /nfs/dbraw/zinc/93/27/78/499932778.db2.gz HIKBCURJYNEEPP-UHFFFAOYSA-N 2 0 372.435 3.406 20 0 FGADRP CCCN(CC[NH+]1CCCCC1)C(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000415956433 499933222 /nfs/dbraw/zinc/93/32/22/499933222.db2.gz OCBFAAWKZDPLFH-UHFFFAOYSA-N 2 0 362.493 3.201 20 0 FGADRP C[C@H]1CN(C(=O)Nc2ccc(C[NH3+])cc2)CC[N@H+](Cc2ccccc2)C1 ZINC000415960969 499933932 /nfs/dbraw/zinc/93/39/32/499933932.db2.gz QYFFHXQAVRFANX-QGZVFWFLSA-N 2 0 352.482 3.131 20 0 FGADRP C[NH+](C)CCCC(C)(C)NC(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000415966502 499934981 /nfs/dbraw/zinc/93/49/81/499934981.db2.gz GPXDNIXYWLRHSZ-UHFFFAOYSA-N 2 0 360.424 3.406 20 0 FGADRP C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)Nc1ccc(C[NH3+])cc1 ZINC000415970628 499935357 /nfs/dbraw/zinc/93/53/57/499935357.db2.gz FKLOZTHZWYBXCW-KRWDZBQOSA-N 2 0 352.482 3.274 20 0 FGADRP C[C@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)Nc1ccc(C[NH3+])cc1 ZINC000415981363 499937163 /nfs/dbraw/zinc/93/71/63/499937163.db2.gz VLXUUOCSFZQTPF-IRXDYDNUSA-N 2 0 352.482 3.272 20 0 FGADRP C[NH2+]Cc1ccc(NC(=O)N(C)CC2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000415986078 499937758 /nfs/dbraw/zinc/93/77/58/499937758.db2.gz UOAOBWQYHWJOQO-UHFFFAOYSA-N 2 0 367.497 3.181 20 0 FGADRP CC[C@H]1CN(C(=O)Nc2ccc3c(c2)C[NH2+]C3)CC[N@@H+]1Cc1ccccc1 ZINC000416005798 499940177 /nfs/dbraw/zinc/94/01/77/499940177.db2.gz IVGKNRSNQYWADB-NRFANRHFSA-N 2 0 364.493 3.418 20 0 FGADRP C[NH+](C)[C@H](CC(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1)c1ccccc1 ZINC000416118963 499950104 /nfs/dbraw/zinc/95/01/04/499950104.db2.gz AWUYIXCVQXEHHE-MOPGFXCFSA-N 2 0 355.482 3.226 20 0 FGADRP C[NH+](C)[C@H](CNC(=O)N[C@H](CCC[NH3+])c1ccccc1)c1ccc(F)cc1 ZINC000417169247 499994325 /nfs/dbraw/zinc/99/43/25/499994325.db2.gz HTFOFCWJWVEHFQ-WOJBJXKFSA-N 2 0 372.488 3.208 20 0 FGADRP C[NH+](C)CCOc1ccc(NC(=O)C[C@H](c2ccccc2)[NH+](C)C)cc1F ZINC000416252478 499995573 /nfs/dbraw/zinc/99/55/73/499995573.db2.gz OYKOLCPQTPEGGL-LJQANCHMSA-N 2 0 373.472 3.398 20 0 FGADRP CC1CC[NH+]([C@H](CNC(=O)NCC[C@@H]2CCC[NH2+]C2)c2ccccc2)CC1 ZINC000417208609 500006033 /nfs/dbraw/zinc/00/60/33/500006033.db2.gz BESBSOVHTODFLI-PZJWPPBQSA-N 2 0 372.557 3.149 20 0 FGADRP CC1CC[NH+]([C@H](CNC(=O)NCCC2=CC[NH2+]CC2)c2ccccc2)CC1 ZINC000417214494 500007176 /nfs/dbraw/zinc/00/71/76/500007176.db2.gz KZGXDNBXGBKASQ-OAQYLSRUSA-N 2 0 370.541 3.069 20 0 FGADRP CCc1nc(C(C)C)ccc1C[N@@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000582254312 506170005 /nfs/dbraw/zinc/17/00/05/506170005.db2.gz YBNLIPVFZYRULR-FQEVSTJZSA-N 2 0 358.574 3.368 20 0 FGADRP C[C@H]([NH3+])c1ccc(CNC(=O)NCC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000417217055 500007989 /nfs/dbraw/zinc/00/79/89/500007989.db2.gz COOXEECJBYXTQB-BBWFWOEESA-N 2 0 360.546 3.262 20 0 FGADRP c1cnc(N2CC[NH+](CCCC[NH2+]Cc3cccc(C4CC4)c3)CC2)nc1 ZINC000421328657 500017978 /nfs/dbraw/zinc/01/79/78/500017978.db2.gz TVBWSLSYKSRFOY-UHFFFAOYSA-N 2 0 365.525 3.046 20 0 FGADRP COC(=O)c1cc2c(o1)c(OC)ccc2C[NH2+]C1CCC([NH+](C)C)CC1 ZINC000421376001 500031441 /nfs/dbraw/zinc/03/14/41/500031441.db2.gz QWGCRMLOANQTED-UHFFFAOYSA-N 2 0 360.454 3.190 20 0 FGADRP CC[C@H]([NH3+])CNC(=O)NC[C@@H](c1ccc(C(F)(F)F)cc1)[NH+](CC)CC ZINC000417295222 500031850 /nfs/dbraw/zinc/03/18/50/500031850.db2.gz JMKHHQQLRKGXMM-HOTGVXAUSA-N 2 0 374.451 3.125 20 0 FGADRP Cc1ccc([C@@H](CNC(=O)N[C@@H](CCC[NH3+])c2ccccc2)[NH+](C)C)cc1 ZINC000417315274 500037359 /nfs/dbraw/zinc/03/73/59/500037359.db2.gz SAFYZMDGQYRASZ-LEWJYISDSA-N 2 0 368.525 3.377 20 0 FGADRP C[C@H]([NH2+]CC(C)(C)C1(O)CCOCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000417388849 500057926 /nfs/dbraw/zinc/05/79/26/500057926.db2.gz WNAVUCKDDXZRJZ-ICSRJNTNSA-N 2 0 360.542 3.054 20 0 FGADRP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]CC(C)(C)C2(O)CCOCC2)CC1 ZINC000417391007 500058459 /nfs/dbraw/zinc/05/84/59/500058459.db2.gz ZMHTWUGLAFYLLW-LJQANCHMSA-N 2 0 374.569 3.239 20 0 FGADRP C[C@@H]1C[NH+](CCOc2ccc(CC[NH2+][C@@H]3CCC[C@@H]([NH3+])C3)cc2)C[C@H]1C ZINC000570462193 506173439 /nfs/dbraw/zinc/17/34/39/506173439.db2.gz BMFWORKIZRWJKN-VURPSTOHSA-N 3 0 359.558 3.055 20 0 FGADRP CC[C@H]([NH2+]CCCC[NH+]1CCN(Cc2ccccc2)CC1)c1ccn(C)n1 ZINC000576505669 506174069 /nfs/dbraw/zinc/17/40/69/506174069.db2.gz LTDGBGSBTGAPED-NRFANRHFSA-N 2 0 369.557 3.059 20 0 FGADRP CC(C)[NH+]1CCC([NH2+]C[C@@H](CO)Cc2ccc(Br)cc2)CC1 ZINC000429439707 500079166 /nfs/dbraw/zinc/07/91/66/500079166.db2.gz AZMZKCLXGGGQND-INIZCTEOSA-N 2 0 369.347 3.063 20 0 FGADRP CCC[NH+](CCC)CCCNC(=O)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]C1 ZINC000417469831 500082689 /nfs/dbraw/zinc/08/26/89/500082689.db2.gz QWRZKYPONFFQJF-RTBURBONSA-N 2 0 352.567 3.062 20 0 FGADRP COC1(C[C@@H](C)[NH2+]CCCN2CC[N@H+](C)C[C@H]2c2ccccc2)CCC1 ZINC000429520486 500092712 /nfs/dbraw/zinc/09/27/12/500092712.db2.gz SONZZJAVRMSRSY-CTNGQTDRSA-N 2 0 359.558 3.303 20 0 FGADRP COC(=O)[C@H](CC[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1)c1ccccc1 ZINC000425419346 500100390 /nfs/dbraw/zinc/10/03/90/500100390.db2.gz KYVIHJKOFCHZOX-NRSPTQNISA-N 2 0 356.510 3.282 20 0 FGADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@H](CCC[NH3+])c1ccccc1 ZINC000417554808 500107213 /nfs/dbraw/zinc/10/72/13/500107213.db2.gz KKPXCSLHQZFKQJ-WOJBJXKFSA-N 2 0 360.546 3.420 20 0 FGADRP O[C@@H](Cc1ccccc1)C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000425463823 500113589 /nfs/dbraw/zinc/11/35/89/500113589.db2.gz YPQIGLCWDWMJIS-GOTSBHOMSA-N 2 0 350.506 3.188 20 0 FGADRP C[C@H](CCC[NH3+])NC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1 ZINC000417581604 500116741 /nfs/dbraw/zinc/11/67/41/500116741.db2.gz TXHDXMGUFBAEPQ-QAPCUYQASA-N 2 0 366.937 3.121 20 0 FGADRP C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000429650076 500118222 /nfs/dbraw/zinc/11/82/22/500118222.db2.gz OFURKDXBQYBWNI-YADHBBJMSA-N 2 0 363.505 3.285 20 0 FGADRP C[C@@H](CCCC[NH3+])NC(=O)NC[C@@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000416829235 500131505 /nfs/dbraw/zinc/13/15/05/500131505.db2.gz FOXKLIMUICKSGX-IRXDYDNUSA-N 2 0 366.575 3.338 20 0 FGADRP C[C@H]([NH3+])c1ccc(CNC(=O)NCCC[N@H+](C)Cc2ccccc2)cc1 ZINC000416870814 500144140 /nfs/dbraw/zinc/14/41/40/500144140.db2.gz IWNFFAYZHNKWTR-KRWDZBQOSA-N 2 0 354.498 3.028 20 0 FGADRP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000417677193 500147002 /nfs/dbraw/zinc/14/70/02/500147002.db2.gz FPDQPRSPUJBXMJ-ZWOKBUDYSA-N 2 0 358.530 3.123 20 0 FGADRP C[NH+](C)Cc1ccc(CNC(=O)N[C@H](CCC[NH3+])c2ccccc2)cc1 ZINC000416893127 500149264 /nfs/dbraw/zinc/14/92/64/500149264.db2.gz RFKBFAZWENWVFD-HXUWFJFHSA-N 2 0 354.498 3.028 20 0 FGADRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000416906799 500152475 /nfs/dbraw/zinc/15/24/75/500152475.db2.gz SQKUHXDMQRQJIA-FQEVSTJZSA-N 2 0 360.546 3.187 20 0 FGADRP CC(C)(C)O[C@@H]1C[C@H]([NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)C1(C)C ZINC000414098865 500153170 /nfs/dbraw/zinc/15/31/70/500153170.db2.gz SZUSEYMJOBBNSE-ZSYWTGECSA-N 2 0 352.563 3.326 20 0 FGADRP CCC(CC)(CNC(=O)NC1CCC([NH3+])CC1)[NH2+][C@@H](C)c1ccccc1 ZINC000417706993 500153725 /nfs/dbraw/zinc/15/37/25/500153725.db2.gz PQLKLDYFIPUHNP-IVMQYODDSA-N 2 0 360.546 3.465 20 0 FGADRP C[C@@H]([NH2+]C1(CNC(=O)NCCC2=CC[NH2+]CC2)CCCC1)c1ccccc1 ZINC000417711752 500154633 /nfs/dbraw/zinc/15/46/33/500154633.db2.gz WDGVSIZZJTYZOF-GOSISDBHSA-N 2 0 370.541 3.259 20 0 FGADRP CC[NH+]1CCC(CCNC(=O)N[C@@H](C[NH3+])c2ccc3ccccc3c2)CC1 ZINC000417753175 500164124 /nfs/dbraw/zinc/16/41/24/500164124.db2.gz SJZSBAKEJRIEFZ-NRFANRHFSA-N 2 0 368.525 3.261 20 0 FGADRP C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)N(C)CC(C)(C)C[NH3+])cc2)C1 ZINC000416965252 500168048 /nfs/dbraw/zinc/16/80/48/500168048.db2.gz DGACNRDXFTWVFG-QGZVFWFLSA-N 2 0 360.546 3.045 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)NC[C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000416969819 500170285 /nfs/dbraw/zinc/17/02/85/500170285.db2.gz CQXAEPLWHHWSSE-QMMLZNLJSA-N 2 0 372.557 3.378 20 0 FGADRP CC(C)[NH+](CCCNC(=O)N1CCCC[C@H]1[C@@H]1CCC[NH2+]C1)C(C)C ZINC000417800362 500174116 /nfs/dbraw/zinc/17/41/16/500174116.db2.gz SLJJOZIMVMIRRQ-MOPGFXCFSA-N 2 0 352.567 3.059 20 0 FGADRP CC(C)[C@@H](CNC(=O)NCc1ccc([C@@H](C)[NH3+])cc1)[NH+]1CCC(C)CC1 ZINC000417009925 500183361 /nfs/dbraw/zinc/18/33/61/500183361.db2.gz OASDTFWZGJZOIG-YLJYHZDGSA-N 2 0 360.546 3.262 20 0 FGADRP CCCC[N@H+](CC)Cc1cccc(CNC(=O)N2CC[C@H]([NH3+])[C@H](C)C2)c1 ZINC000417870429 500188025 /nfs/dbraw/zinc/18/80/25/500188025.db2.gz FXXVAQKMPZVZDJ-XLIONFOSSA-N 2 0 360.546 3.187 20 0 FGADRP CCCC[N@H+](CC)Cc1cccc(CNC(=O)N2CC[C@@](C)(C[NH3+])C2)c1 ZINC000417869815 500188173 /nfs/dbraw/zinc/18/81/73/500188173.db2.gz FFIORPSMJARKKO-NRFANRHFSA-N 2 0 360.546 3.189 20 0 FGADRP C[NH2+]C[C@@H]1CCCN(C(=O)NC[C@@H](CC(C)C)[NH2+][C@@H](C)c2ccccc2)C1 ZINC000417881282 500190749 /nfs/dbraw/zinc/19/07/49/500190749.db2.gz TUHYVSOBFAWJCC-IRFCIJBXSA-N 2 0 374.573 3.393 20 0 FGADRP CC(C)C[C@H](CNC(=O)N1CC[C@@]2(CC[NH2+]C2)C1)[NH2+][C@@H](C)c1ccccc1 ZINC000417882696 500191401 /nfs/dbraw/zinc/19/14/01/500191401.db2.gz VGCQFXBBSRTQHG-CZTZKLFOSA-N 2 0 372.557 3.147 20 0 FGADRP C[C@@H](C(=O)NC1CCC([NH+](C)C)CC1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000422004316 500195738 /nfs/dbraw/zinc/19/57/38/500195738.db2.gz GBAHSIZEVBZWGF-XTWGIRIWSA-N 2 0 371.569 3.319 20 0 FGADRP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccc(-n4ccc(C(F)(F)F)n4)cc3)C2)C1 ZINC000430126131 500196338 /nfs/dbraw/zinc/19/63/38/500196338.db2.gz CVZRURXMBFTTFI-GOSISDBHSA-N 2 0 364.415 3.419 20 0 FGADRP CCC1(CNC(=O)N[C@H]2CC[C@@H](C[NH3+])C2)CC[NH+](Cc2ccccc2)CC1 ZINC000417916092 500197237 /nfs/dbraw/zinc/19/72/37/500197237.db2.gz CQICYQSPXPHBAD-UXHICEINSA-N 2 0 372.557 3.105 20 0 FGADRP CCC1(CNC(=O)N2CC[C@@H]([C@H](C)[NH3+])C2)CC[NH+](Cc2ccccc2)CC1 ZINC000417922388 500198273 /nfs/dbraw/zinc/19/82/73/500198273.db2.gz IXDVXFVDMXVHRR-AZUAARDMSA-N 2 0 372.557 3.058 20 0 FGADRP CCCN(C(=O)NC1CCC([NH+]2CCC(C)CC2)CC1)C1CC[NH2+]CC1 ZINC000417925306 500198722 /nfs/dbraw/zinc/19/87/22/500198722.db2.gz NOUGSQBUICWAMS-UHFFFAOYSA-N 2 0 364.578 3.203 20 0 FGADRP C[C@@H]1C[C@H](CCNC(=O)NC[C@@H]2CCC[C@@H]([NH3+])C2)C[N@@H+]1Cc1ccccc1 ZINC000417932027 500199872 /nfs/dbraw/zinc/19/98/72/500199872.db2.gz WKYCTSXIYRBYBB-AYWYSENESA-N 2 0 372.557 3.104 20 0 FGADRP CCC([NH3+])(CC)CNC(=O)NCC[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000417933593 500200498 /nfs/dbraw/zinc/20/04/98/500200498.db2.gz XYRPJSIMCFQZDK-MJGOQNOKSA-N 2 0 360.546 3.104 20 0 FGADRP CCC([NH3+])(CC)CNC(=O)NCC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000417933592 500200700 /nfs/dbraw/zinc/20/07/00/500200700.db2.gz XYRPJSIMCFQZDK-IEBWSBKVSA-N 2 0 360.546 3.104 20 0 FGADRP C[C@H](NC(=O)N(CCC[NH3+])Cc1ccccc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000417983803 500209235 /nfs/dbraw/zinc/20/92/35/500209235.db2.gz CRFZSDCSORMGBB-AZUAARDMSA-N 2 0 372.557 3.200 20 0 FGADRP C[C@H](NC(=O)N[C@@H](CCC[NH3+])c1ccccc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000417989791 500210488 /nfs/dbraw/zinc/21/04/88/500210488.db2.gz JSGCYXFEAAASHM-DSKINZAPSA-N 2 0 372.557 3.419 20 0 FGADRP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)NCc2ccc(C[NH3+])cc2)CC1 ZINC000579471218 506182723 /nfs/dbraw/zinc/18/27/23/506182723.db2.gz NEAQUHRBCAESLA-QGZVFWFLSA-N 2 0 366.509 3.170 20 0 FGADRP [NH3+]CCCN(CC1CCCC1)C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000418106212 500230551 /nfs/dbraw/zinc/23/05/51/500230551.db2.gz MWMGVEWLEXTSQH-NRFANRHFSA-N 2 0 372.557 3.059 20 0 FGADRP C[C@H](NC(=O)N(CCC[NH3+])Cc1ccccc1)[C@H](c1ccccc1)[NH+](C)C ZINC000418160219 500239534 /nfs/dbraw/zinc/23/95/34/500239534.db2.gz BDKIRJMKHSHQGR-GHTZIAJQSA-N 2 0 368.525 3.238 20 0 FGADRP CCCC[C@@H](C[NH3+])NC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000418161117 500239711 /nfs/dbraw/zinc/23/97/11/500239711.db2.gz SNEFANTYKOIWJC-OALUTQOASA-N 2 0 360.546 3.104 20 0 FGADRP C[C@H]([NH3+])c1ccc(CNC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)cc1 ZINC000418191373 500246328 /nfs/dbraw/zinc/24/63/28/500246328.db2.gz KPLMVJQKGVKEGA-FIKGOQFSSA-N 2 0 366.509 3.169 20 0 FGADRP CC(C)Cc1ccc([C@H](CNC(=O)N2CC[C@H](C)[C@H](C[NH3+])C2)[NH+](C)C)cc1 ZINC000418198230 500247907 /nfs/dbraw/zinc/24/79/07/500247907.db2.gz UYODJDVQMYCNHB-WMQCIHAUSA-N 2 0 374.573 3.114 20 0 FGADRP CC(C)Cc1ccc([C@@H](CNC(=O)N2CCC[C@@H](CC[NH3+])C2)[NH+](C)C)cc1 ZINC000418199546 500248440 /nfs/dbraw/zinc/24/84/40/500248440.db2.gz XBLWUISNRNIRDN-PZJWPPBQSA-N 2 0 374.573 3.258 20 0 FGADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000418231554 500253364 /nfs/dbraw/zinc/25/33/64/500253364.db2.gz GQHBHXVGLMOLPS-LEWJYISDSA-N 2 0 374.573 3.304 20 0 FGADRP CC[NH2+]CC1CC[NH+](CC(=O)N[C@@H](C)c2ccc(Cl)c(Cl)c2)CC1 ZINC000430554719 500253514 /nfs/dbraw/zinc/25/35/14/500253514.db2.gz QXHJYUNMHOTGNB-ZDUSSCGKSA-N 2 0 372.340 3.492 20 0 FGADRP CCCN(C(=O)NCC1([N@H+](C)Cc2ccccc2)CCC1)C1CC[NH2+]CC1 ZINC000418241891 500254736 /nfs/dbraw/zinc/25/47/36/500254736.db2.gz KWSZXHNISRLXQD-UHFFFAOYSA-N 2 0 372.557 3.215 20 0 FGADRP C[C@H](C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)c1ccc(Cl)s1 ZINC000426267816 500254730 /nfs/dbraw/zinc/25/47/30/500254730.db2.gz QIBBRRVZIYAADI-AWEZNQCLSA-N 2 0 359.967 3.237 20 0 FGADRP C[NH+](C)CCCOc1cccc(NC(=O)C2(C[NH+](C)C)CCCCC2)c1 ZINC000426304979 500258806 /nfs/dbraw/zinc/25/88/06/500258806.db2.gz UZRYQSVIPOYRQG-UHFFFAOYSA-N 2 0 361.530 3.468 20 0 FGADRP [NH3+]CC1CC[NH+](Cc2ncc(-c3ccccc3Br)o2)CC1 ZINC000430613662 500262052 /nfs/dbraw/zinc/26/20/52/500262052.db2.gz ABGXMBHFAGOWMD-UHFFFAOYSA-N 2 0 350.260 3.275 20 0 FGADRP CCN(C(=O)NCC[C@@H]1CCC[NH2+]C1)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000418350123 500266475 /nfs/dbraw/zinc/26/64/75/500266475.db2.gz QPVDRDFTONZCDT-ZJOUEHCJSA-N 2 0 372.557 3.243 20 0 FGADRP CCC[NH+]1CCC(N(C)C(=O)NC[C@@H]([NH3+])c2ccc(C(C)C)cc2)CC1 ZINC000418355123 500267494 /nfs/dbraw/zinc/26/74/94/500267494.db2.gz PBHNSCNIJARNMK-HXUWFJFHSA-N 2 0 360.546 3.326 20 0 FGADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000418359537 500268153 /nfs/dbraw/zinc/26/81/53/500268153.db2.gz JILFYFWKPARIIH-FQEVSTJZSA-N 2 0 360.546 3.187 20 0 FGADRP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)N[C@H](C[NH3+])c1ccc2ccccc2c1 ZINC000418483099 500281843 /nfs/dbraw/zinc/28/18/43/500281843.db2.gz FLULSWAGKGKPNI-HRAATJIYSA-N 2 0 368.525 3.211 20 0 FGADRP CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC(=O)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000418490065 500283330 /nfs/dbraw/zinc/28/33/30/500283330.db2.gz MQIPVLCNMOPECD-FFZOFVMBSA-N 2 0 360.546 3.406 20 0 FGADRP C[C@@H]1C[C@@H](C)[N@H+](CCC(=O)Nc2ccc(Br)cc2)C[C@@H]1C[NH3+] ZINC000422640953 500285038 /nfs/dbraw/zinc/28/50/38/500285038.db2.gz WPTCEWPSBLNAHS-MCIONIFRSA-N 2 0 368.319 3.083 20 0 FGADRP C[NH+](C)CCCC(C)(C)NC(=O)N[C@H](C[NH3+])c1ccc2ccccc2c1 ZINC000418500950 500285150 /nfs/dbraw/zinc/28/51/50/500285150.db2.gz PZDRVWMYXWFSQJ-LJQANCHMSA-N 2 0 356.514 3.259 20 0 FGADRP C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)NC[C@@]2(C)CCC[NH2+]C2)CC1 ZINC000418525177 500287097 /nfs/dbraw/zinc/28/70/97/500287097.db2.gz XODPHFWVZBONKY-RXVVDRJESA-N 2 0 364.578 3.062 20 0 FGADRP C[C@@H]([NH3+])[C@H](Cc1ccccc1)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000422724752 500290306 /nfs/dbraw/zinc/29/03/06/500290306.db2.gz WNTHACZFMLCWBA-VGSWGCGISA-N 2 0 355.501 3.338 20 0 FGADRP C[C@H](N[C@@H]1C[C@H]([NH3+])c2ccccc21)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000422741132 500292594 /nfs/dbraw/zinc/29/25/94/500292594.db2.gz ODONDSKXLQQEOF-ONGXBYRLSA-N 2 0 368.500 3.373 20 0 FGADRP CCOC(=O)C1([C@H](C)[NH2+][C@H](C)c2ccc(F)cc2Cl)CC[NH2+]CC1 ZINC000422750867 500293766 /nfs/dbraw/zinc/29/37/66/500293766.db2.gz DSHGRRBJKLBWIY-OLZOCXBDSA-N 2 0 356.869 3.451 20 0 FGADRP C[C@H](C[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)Oc1ccc(F)cc1 ZINC000422778763 500296650 /nfs/dbraw/zinc/29/66/50/500296650.db2.gz AXPMQSNJOGPAFA-JJXUHFIVSA-N 2 0 356.441 3.439 20 0 FGADRP c1sc(-c2ccccc2)nc1CC[NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000422784352 500297406 /nfs/dbraw/zinc/29/74/06/500297406.db2.gz LWGHBJYMSVPRKP-GUDVDZBRSA-N 2 0 357.523 3.099 20 0 FGADRP C[C@H](C(=O)NC[C@@H](c1c(F)cccc1Cl)N1CCCC1)N1CC(C)C1 ZINC000570527370 506187952 /nfs/dbraw/zinc/18/79/52/506187952.db2.gz SQUMHFNTMSQNKF-PBHICJAKSA-N 2 0 367.896 3.072 20 0 FGADRP COC[C@H](Cc1ccccc1)[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422819687 500301801 /nfs/dbraw/zinc/30/18/01/500301801.db2.gz IUKADVDACLUIGH-RCZSKKKRSA-N 2 0 352.478 3.090 20 0 FGADRP CCOC(=O)C1([C@H](C)[NH2+]C[C@H]2CCCC[C@@H]2C(F)(F)F)CC[NH2+]CC1 ZINC000422817774 500301848 /nfs/dbraw/zinc/30/18/48/500301848.db2.gz IJGBRMDQNFHNBR-ZNMIVQPWSA-N 2 0 364.452 3.266 20 0 FGADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000422819394 500302155 /nfs/dbraw/zinc/30/21/55/500302155.db2.gz NAYKJAFVIKGPED-DENIHFKCSA-N 3 0 359.558 3.035 20 0 FGADRP FC(F)(F)COCc1ccc(C[NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000422825919 500302430 /nfs/dbraw/zinc/30/24/30/500302430.db2.gz QEINWKLLNXYDHA-KZNAEPCWSA-N 2 0 372.431 3.012 20 0 FGADRP COc1cc(Cl)c(C)cc1NC(=O)CC[NH2+][C@H]1CCCCC[C@H]1[NH3+] ZINC000422825169 500302683 /nfs/dbraw/zinc/30/26/83/500302683.db2.gz PCQKUMUBAZNZAL-CABCVRRESA-N 2 0 353.894 3.235 20 0 FGADRP COc1ccc(Cl)cc1NC(=O)CC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000422824160 500302956 /nfs/dbraw/zinc/30/29/56/500302956.db2.gz NEPZDYAUDYHBCJ-ARFHVFGLSA-N 2 0 365.905 3.188 20 0 FGADRP C[C@H](CCCC[NH3+])NC(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000418669148 500304569 /nfs/dbraw/zinc/30/45/69/500304569.db2.gz HYUWILFBGYZNBB-DENIHFKCSA-N 2 0 372.557 3.202 20 0 FGADRP CCOC(=O)C1([C@H](C)[NH2+][C@@H]2c3cccc(F)c3CC[C@H]2C)CC[NH2+]CC1 ZINC000422842654 500304796 /nfs/dbraw/zinc/30/47/96/500304796.db2.gz YTQCZNSJWSJTBZ-VCBZYWHSSA-N 2 0 362.489 3.360 20 0 FGADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]Cc1ccc(COCc2ccccc2)cc1 ZINC000422856860 500306717 /nfs/dbraw/zinc/30/67/17/500306717.db2.gz GSVABUCIDXZLFA-MTNREXPMSA-N 2 0 354.494 3.245 20 0 FGADRP CCOC(=O)C1([C@@H](C)[NH2+]Cc2ccc(C)cc2SC)CC[NH2+]CC1 ZINC000422879099 500309477 /nfs/dbraw/zinc/30/94/77/500309477.db2.gz ULALGTPRIRSZPN-OAHLLOKOSA-N 2 0 350.528 3.128 20 0 FGADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]CC(C)(C)c1ccc(Br)cc1 ZINC000422884607 500310377 /nfs/dbraw/zinc/31/03/77/500310377.db2.gz SEAKFMFAPBMILL-MAZHCROVSA-N 2 0 355.320 3.069 20 0 FGADRP CCOC(=O)C1([C@H](C)[NH2+][C@@H](C)c2cccc(OC(C)C)c2)CC[NH2+]CC1 ZINC000422882086 500310424 /nfs/dbraw/zinc/31/04/24/500310424.db2.gz OZIQTTODZVJKAG-IRXDYDNUSA-N 2 0 362.514 3.446 20 0 FGADRP COC[C@@H](CCC[NH3+])[NH2+]C[C@@H](c1ccccc1)N1CCc2sccc2C1 ZINC000422883282 500310432 /nfs/dbraw/zinc/31/04/32/500310432.db2.gz QIYADRCKAYGOEQ-UXHICEINSA-N 2 0 373.566 3.191 20 0 FGADRP C[C@@H]1CCC[N@H+](Cc2ccccc2C[NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000422886730 500310764 /nfs/dbraw/zinc/31/07/64/500310764.db2.gz XIQHKGIYQMESOL-TWHAJKEOSA-N 3 0 371.569 3.165 20 0 FGADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]Cc1ccc(N2CCC(C)CC2)nc1 ZINC000422887591 500310996 /nfs/dbraw/zinc/31/09/96/500310996.db2.gz BKCOUFCWACOIOQ-INIZCTEOSA-N 2 0 353.514 3.331 20 0 FGADRP C[C@H](C[C@@H]1COCCN1)[NH2+]Cc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000422892055 500311593 /nfs/dbraw/zinc/31/15/93/500311593.db2.gz LWSXYYQAJKBPSC-VQQMMKBISA-N 2 0 359.558 3.021 20 0 FGADRP COCCOc1ccc([C@H](C)[NH2+][C@H](C)c2ccc(C[NH3+])nc2C)cc1OC ZINC000422893394 500312183 /nfs/dbraw/zinc/31/21/83/500312183.db2.gz QIAXZTGQJWUZQG-LSDHHAIUSA-N 2 0 373.497 3.294 20 0 FGADRP CC[NH+](CC)CCCC1CCN(C(=O)NC[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000418719527 500312367 /nfs/dbraw/zinc/31/23/67/500312367.db2.gz KRTZHAFFDYJCOC-RBUKOAKNSA-N 2 0 352.567 3.048 20 0 FGADRP C[C@@H](C[C@H]1COCCN1)[NH2+]CCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000422901035 500313520 /nfs/dbraw/zinc/31/35/20/500313520.db2.gz BBDFCNLXMIPSPI-REWPJTCUSA-N 2 0 373.585 3.078 20 0 FGADRP C[C@H](C[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)N(C)Cc1ccccc1 ZINC000422901124 500313912 /nfs/dbraw/zinc/31/39/12/500313912.db2.gz BQRFPIKUVIHDBO-RZFNWQHOSA-N 2 0 365.521 3.352 20 0 FGADRP COc1ccc(C2(C[NH2+][C@@H]3C[C@H]([NH3+])c4ccccc43)CCOCC2)cc1 ZINC000422905900 500314535 /nfs/dbraw/zinc/31/45/35/500314535.db2.gz ZSRTVTKXFKYVTQ-LEWJYISDSA-N 2 0 352.478 3.478 20 0 FGADRP Fc1cccc(F)c1CN1CCC[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000422909149 500315117 /nfs/dbraw/zinc/31/51/17/500315117.db2.gz NLWWBBZDVITTBW-LXDRIQHSSA-N 2 0 363.496 3.440 20 0 FGADRP [NH3+]CC1CCC([NH2+][C@H](Cc2ccccc2)C(=O)Nc2ccccc2)CC1 ZINC000422912477 500315652 /nfs/dbraw/zinc/31/56/52/500315652.db2.gz WGFJWUGYEUMXPI-DQVLVPHSSA-N 2 0 351.494 3.344 20 0 FGADRP CC[C@H](C[NH2+][C@@H]1CCOC[C@@H]1[C@H](C)[NH3+])Oc1ccccc1C(F)(F)F ZINC000422920523 500316665 /nfs/dbraw/zinc/31/66/65/500316665.db2.gz MWCKRSTYWMPKRA-DSJMHWKBSA-N 2 0 360.420 3.205 20 0 FGADRP CCOC(=O)C1([C@H](C)[NH2+][C@@H]2C[C@H](OCC)C23CCCCC3)CC[NH2+]CC1 ZINC000422921274 500317078 /nfs/dbraw/zinc/31/70/78/500317078.db2.gz PLGUHILYYLDPPF-KSZLIROESA-N 2 0 366.546 3.025 20 0 FGADRP C[C@@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)c1ccc(I)cc1 ZINC000423322080 500364075 /nfs/dbraw/zinc/36/40/75/500364075.db2.gz GWSMIKDNJWRZCT-DOMZBBRYSA-N 2 0 358.267 3.332 20 0 FGADRP Cc1ccc(NC(=O)COc2ccc(CC[NH2+][C@@H](C)C[C@H](C)[NH3+])cc2)cc1 ZINC000422933135 500319131 /nfs/dbraw/zinc/31/91/31/500319131.db2.gz HDGFKWPELDLZBY-ROUUACIJSA-N 2 0 369.509 3.270 20 0 FGADRP C[C@@H]([NH2+]C1CCC(C[NH3+])CC1)c1cc2c(cc1Br)OCCO2 ZINC000422935837 500319608 /nfs/dbraw/zinc/31/96/08/500319608.db2.gz DYJZASKGLLKPQD-PNESKVBLSA-N 2 0 369.303 3.388 20 0 FGADRP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000418768415 500320546 /nfs/dbraw/zinc/32/05/46/500320546.db2.gz MBHMTWDGFKYZRI-SFTDATJTSA-N 2 0 372.557 3.072 20 0 FGADRP C[C@H]([NH2+]C[C@H]1CCN(c2ccc(Br)cc2)C1)[C@H]1CCC[NH2+]1 ZINC000422942055 500321064 /nfs/dbraw/zinc/32/10/64/500321064.db2.gz JYOUBAGZYGRITE-JJRVBVJISA-N 2 0 352.320 3.006 20 0 FGADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000422946113 500321581 /nfs/dbraw/zinc/32/15/81/500321581.db2.gz OMIJANDBEBVIMM-SPLOXXLWSA-N 2 0 353.466 3.422 20 0 FGADRP c1ccc2c(c1)O[C@@]1(CC[NH2+]C1)C[C@@H]2[NH2+]CCc1nc2c(s1)CCCC2 ZINC000422955342 500323130 /nfs/dbraw/zinc/32/31/30/500323130.db2.gz LWMZUSSEFDODBT-UWJYYQICSA-N 2 0 369.534 3.410 20 0 FGADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)Nc1ccc(N2CCC([NH+](C)C)CC2)cn1 ZINC000422955452 500323476 /nfs/dbraw/zinc/32/34/76/500323476.db2.gz LXCNQTBDKPSKHY-MSOLQXFVSA-N 2 0 359.562 3.335 20 0 FGADRP COCCNc1ccc(C[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422963306 500324575 /nfs/dbraw/zinc/32/45/75/500324575.db2.gz FMRZAPOZNZMOEE-IRLDBZIGSA-N 2 0 367.493 3.090 20 0 FGADRP Cn1cc(-c2cccc(C[NH2+][C@H]3C[C@@]4(CC[NH2+]C4)Oc4ccccc43)c2)cn1 ZINC000422961457 500324768 /nfs/dbraw/zinc/32/47/68/500324768.db2.gz CBCYDHGIRKYCEX-JTHBVZDNSA-N 2 0 374.488 3.433 20 0 FGADRP [NH3+][C@H]1C[C@@H](Nc2cccc(C[NH+]3CCC(CO)CC3)c2)c2ccccc21 ZINC000422977586 500326219 /nfs/dbraw/zinc/32/62/19/500326219.db2.gz FXKNAJNKKRRKOM-FCHUYYIVSA-N 2 0 351.494 3.448 20 0 FGADRP CC(C)(C)N(Cc1cccc(F)c1)C(=O)C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000431039536 500327009 /nfs/dbraw/zinc/32/70/09/500327009.db2.gz XJTISIZROMVODV-UHFFFAOYSA-N 2 0 361.505 3.028 20 0 FGADRP COc1cccc(COCC[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000422999985 500328985 /nfs/dbraw/zinc/32/89/85/500328985.db2.gz GKLMCESXCCDTMK-IFMALSPDSA-N 2 0 368.477 3.057 20 0 FGADRP COc1ccc([C@H](NC[C@@H]2CCC[N@H+](CC(C)C)C2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422997314 500329309 /nfs/dbraw/zinc/32/93/09/500329309.db2.gz NMFBDCRYGDUACZ-NYVOZVTQSA-N 2 0 359.558 3.446 20 0 FGADRP FC(F)(F)COCc1cccc(C[NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000423006034 500330323 /nfs/dbraw/zinc/33/03/23/500330323.db2.gz UDKXMUCIJMKKMI-OKZBNKHCSA-N 2 0 372.431 3.012 20 0 FGADRP COC[C@H](CCC[NH3+])[NH2+][C@@H](c1cc(F)cc(Br)c1)C1CC1 ZINC000423046057 500334891 /nfs/dbraw/zinc/33/48/91/500334891.db2.gz CZIZSIDFJOWYKL-JKSUJKDBSA-N 2 0 359.283 3.383 20 0 FGADRP FC(F)(F)COc1ccc(CC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)cn1 ZINC000423046876 500335194 /nfs/dbraw/zinc/33/51/94/500335194.db2.gz FHKDUAYEYZQJSV-BRWVUGGUSA-N 2 0 371.447 3.466 20 0 FGADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]CCc1c[nH]c2cc(Cl)cc(Cl)c12 ZINC000423071247 500338416 /nfs/dbraw/zinc/33/84/16/500338416.db2.gz HOQYUOLCSNTJOS-XEGUGMAKSA-N 2 0 356.297 3.359 20 0 FGADRP COC[C@@H](CCC[NH3+])[NH2+][C@H]1C[C@H](c2ccc(F)c(Br)c2)C1 ZINC000423093035 500341114 /nfs/dbraw/zinc/34/11/14/500341114.db2.gz FKNDXNAXWSPVAA-MGPQQGTHSA-N 2 0 359.283 3.178 20 0 FGADRP O=C(Cc1ccccc1)N1CCC[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)C1 ZINC000423117483 500344551 /nfs/dbraw/zinc/34/45/51/500344551.db2.gz VRMNIASIVOFPOS-LNRXMEIDSA-N 2 0 369.553 3.121 20 0 FGADRP CCOC(=O)C1([C@H](C)[NH2+][C@H]2CCc3sc(Cl)cc32)CC[NH2+]CC1 ZINC000423127101 500345722 /nfs/dbraw/zinc/34/57/22/500345722.db2.gz SXXHSZYIYQWDHV-AAEUAGOBSA-N 2 0 356.919 3.300 20 0 FGADRP COc1ccc(CC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)c(Cl)c1OC ZINC000423127279 500345746 /nfs/dbraw/zinc/34/57/46/500345746.db2.gz BTNADDHZKPRKSW-OAGGEKHMSA-N 2 0 352.906 3.410 20 0 FGADRP O=C([C@@H]1CCC[N@@H+]1C1CC1)N1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000427056368 500348887 /nfs/dbraw/zinc/34/88/87/500348887.db2.gz FEZHTTZCZGIYEL-HJNYFJLDSA-N 2 0 367.537 3.126 20 0 FGADRP Cc1ccc(C[C@@H](CO)C[NH2+][C@H](C)CCCC[NH3+])cc1Br ZINC000423153551 500348984 /nfs/dbraw/zinc/34/89/84/500348984.db2.gz HSRVZEAIHWHLBU-GDBMZVCRSA-N 2 0 357.336 3.016 20 0 FGADRP CCOC(=O)C1(C(=O)c2ccccc2)CC[NH+]([C@H](C)CCCC[NH3+])CC1 ZINC000423158035 500350043 /nfs/dbraw/zinc/35/00/43/500350043.db2.gz NPWVAWMRWYAGDG-QGZVFWFLSA-N 2 0 360.498 3.032 20 0 FGADRP Fc1ccc([C@H]([NH2+]CCCN2CC[NH2+]CC2)c2ccc(Cl)cc2)cc1 ZINC000423192569 500354038 /nfs/dbraw/zinc/35/40/38/500354038.db2.gz WAAFLJNZMZGPPC-HXUWFJFHSA-N 2 0 361.892 3.453 20 0 FGADRP C[C@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1ccc(OC[C@@H]2CCCCO2)c(F)c1 ZINC000423219105 500356063 /nfs/dbraw/zinc/35/60/63/500356063.db2.gz WDHVCEYKHLALOW-JZXOWHBKSA-N 2 0 350.478 3.424 20 0 FGADRP C[C@H](CCc1ccc(I)cc1)[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000423254426 500358475 /nfs/dbraw/zinc/35/84/75/500358475.db2.gz YAWBOZMGFUCKDP-HIFRSBDPSA-N 2 0 372.294 3.202 20 0 FGADRP CC(C)[C@@H]([NH3+])C[NH2+][C@@H](C)CCc1ccc(I)cc1 ZINC000423272596 500360351 /nfs/dbraw/zinc/36/03/51/500360351.db2.gz JWJQFWQFEALQIW-WFASDCNBSA-N 2 0 360.283 3.185 20 0 FGADRP CCc1ccc([C@@H](CN2CCOCC2)[NH2+]Cc2ccc([C@@H](C)[NH3+])cc2)cc1 ZINC000423292340 500361754 /nfs/dbraw/zinc/36/17/54/500361754.db2.gz MPLSISIUIJNRHM-WZONZLPQSA-N 2 0 367.537 3.432 20 0 FGADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2N[C@@H]2CC[NH2+][C@H](c3ccccc3)C2)cc1 ZINC000423324572 500364833 /nfs/dbraw/zinc/36/48/33/500364833.db2.gz HYULZHAYLWGTOJ-SWUCNREESA-N 2 0 365.521 3.224 20 0 FGADRP FC(F)(F)[C@@H](C[NH2+]C(c1ccccc1)c1ccccc1)N1CC[NH2+]CC1 ZINC000423380728 500369033 /nfs/dbraw/zinc/36/90/33/500369033.db2.gz HOPGHILODRRMPH-GOSISDBHSA-N 2 0 363.427 3.202 20 0 FGADRP C[C@@H]([NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc(-c2ccccc2)o1 ZINC000423376467 500369128 /nfs/dbraw/zinc/36/91/28/500369128.db2.gz DRNPODGMLMJQDI-RDTXWAMCSA-N 2 0 367.415 3.433 20 0 FGADRP C[C@H](c1ccc(Cl)cc1)[C@H](C)[NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000423389113 500369550 /nfs/dbraw/zinc/36/95/50/500369550.db2.gz LDXLXLZGKQDHEK-HEHGZKQESA-N 2 0 363.855 3.258 20 0 FGADRP FC(F)(F)[C@H](C[NH2+][C@@H](c1ccc(Cl)cc1)C1CC1)N1CC[NH2+]CC1 ZINC000423404281 500371152 /nfs/dbraw/zinc/37/11/52/500371152.db2.gz ZSGXYWUFXUOOIP-JKSUJKDBSA-N 2 0 361.839 3.217 20 0 FGADRP COCC1(C[NH2+][C@H](Cc2ccccc2Cl)[C@@H]2CCCO2)CC[NH2+]CC1 ZINC000423413153 500372695 /nfs/dbraw/zinc/37/26/95/500372695.db2.gz YLHUUZCSOOSOAG-MOPGFXCFSA-N 2 0 366.933 3.036 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)C[C@@H]1CC[NH2+]C1)c1ccc(C(F)(F)F)cc1 ZINC000427269742 500375666 /nfs/dbraw/zinc/37/56/66/500375666.db2.gz NCODNCLRPKYQSD-YOEHRIQHSA-N 2 0 371.447 3.204 20 0 FGADRP CCCCc1ccc([C@H](C)[NH2+][C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)cc1 ZINC000423452953 500375932 /nfs/dbraw/zinc/37/59/32/500375932.db2.gz KJPZIHIRPHXENM-AQKFKSFVSA-N 2 0 357.542 3.327 20 0 FGADRP C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)C[C@H]2CCC[NH2+]CC2)C1 ZINC000427274245 500376226 /nfs/dbraw/zinc/37/62/26/500376226.db2.gz LJFGVDVAHCXIAH-OALUTQOASA-N 2 0 357.542 3.315 20 0 FGADRP CC(C)(C)[C@@H](C[N@@H+]1CCc2ccccc2C1)NC(=O)C[C@H]1CCC[NH2+]CC1 ZINC000427280835 500377307 /nfs/dbraw/zinc/37/73/07/500377307.db2.gz MDTMRODQUVUFOT-GHTZIAJQSA-N 2 0 371.569 3.355 20 0 FGADRP C[C@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)c1ccc(Br)cc1 ZINC000423507959 500380208 /nfs/dbraw/zinc/38/02/08/500380208.db2.gz KGDXGDOMDDTBNK-NNGSBXSVSA-N 2 0 366.347 3.316 20 0 FGADRP COc1cccc2cc([C@@H](C)[NH2+]C3CCC(N4CC[NH2+]CC4)CC3)oc21 ZINC000423507546 500380657 /nfs/dbraw/zinc/38/06/57/500380657.db2.gz JMHSAZOECDPBHD-FAEJEUNOSA-N 2 0 357.498 3.308 20 0 FGADRP COc1ccccc1[C@H](CNC(=O)C[C@@H]1CCC[NH2+]CC1)[NH+]1CCCCC1 ZINC000427319012 500380937 /nfs/dbraw/zinc/38/09/37/500380937.db2.gz DAVIRHUJKMATSH-QUCCMNQESA-N 2 0 373.541 3.118 20 0 FGADRP Cc1cc(NC(=O)C[C@H]2CCC[NH2+]CC2)ccc1OCC[NH+]1CCCC1 ZINC000427324016 500381576 /nfs/dbraw/zinc/38/15/76/500381576.db2.gz JWSCMUZSONLGBZ-SFHVURJKSA-N 2 0 359.514 3.188 20 0 FGADRP C[C@@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)c1ccccc1OC(F)(F)F ZINC000423522646 500381719 /nfs/dbraw/zinc/38/17/19/500381719.db2.gz VCQMPXGTJRNLOY-QQFBHYJXSA-N 2 0 371.447 3.452 20 0 FGADRP CC(C)n1cc([C@@H](C)[NH2+]CC2(N)CC[NH+](Cc3ccccc3)CC2)cn1 ZINC000423564181 500384801 /nfs/dbraw/zinc/38/48/01/500384801.db2.gz LFMNGBHZACNNAR-GOSISDBHSA-N 2 0 355.530 3.108 20 0 FGADRP CCO[C@@H]1C[C@H]([NH2+]CC2(N)CC[NH+](Cc3ccccc3)CC2)C12CCCC2 ZINC000423557111 500385090 /nfs/dbraw/zinc/38/50/90/500385090.db2.gz INIXCIPAMYKHOF-LEWJYISDSA-N 2 0 371.569 3.307 20 0 FGADRP C[C@@H]([NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1)c1ccccc1N(C)C ZINC000423576281 500386305 /nfs/dbraw/zinc/38/63/05/500386305.db2.gz QWMJWUYDSRVCOA-LJQANCHMSA-N 2 0 366.553 3.397 20 0 FGADRP C[C@H](C(=O)N1CCC(CCC[NH+]2CCCC2)CC1)[C@@H]([NH3+])c1ccccc1 ZINC000423792640 500402067 /nfs/dbraw/zinc/40/20/67/500402067.db2.gz ICHNAGKKWQPYNV-GHTZIAJQSA-N 2 0 357.542 3.437 20 0 FGADRP COc1ccc([C@@H](CNC(=O)CC[C@H]2CCCC[N@@H+]2C)[NH+]2CCCC2)cc1 ZINC000431652417 500403808 /nfs/dbraw/zinc/40/38/08/500403808.db2.gz CEKFGNQLPGPEER-TZIWHRDSSA-N 2 0 373.541 3.213 20 0 FGADRP C[NH+](C)[C@H](CC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000431656134 500404228 /nfs/dbraw/zinc/40/42/28/500404228.db2.gz VFRJZASMGLPTNL-LEWJYISDSA-N 2 0 351.494 3.070 20 0 FGADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000431681529 500407688 /nfs/dbraw/zinc/40/76/88/500407688.db2.gz MVHPXRQBFHFGGF-MANSERQUSA-N 2 0 352.567 3.059 20 0 FGADRP CC[C@@H]1CN(C(=O)C[C@@H](C)[C@@H]2CCC[NH2+]C2)CC[N@@H+]1Cc1ccccc1 ZINC000423831421 500408333 /nfs/dbraw/zinc/40/83/33/500408333.db2.gz WBCLPTKCEHDKCD-HMXCVIKNSA-N 2 0 357.542 3.135 20 0 FGADRP C[C@@H]1C[C@H](CCNC(=O)C[C@H]2CCC[NH2+]CC2)C[N@@H+]1Cc1ccccc1 ZINC000423899458 500417252 /nfs/dbraw/zinc/41/72/52/500417252.db2.gz JETMBHPCQBOLFD-DYXWJJEUSA-N 2 0 357.542 3.183 20 0 FGADRP C[C@H]1C[C@H](CCNC(=O)CCC2CC[NH2+]CC2)C[N@@H+]1Cc1ccccc1 ZINC000423906557 500418082 /nfs/dbraw/zinc/41/80/82/500418082.db2.gz QLRJVGIIESFRLC-RXVVDRJESA-N 2 0 357.542 3.183 20 0 FGADRP CCC[NH+]1CCC(CNC(=O)N[C@@H]2CCCC[C@H]2C[NH+](CC)CC)CC1 ZINC000431789692 500425033 /nfs/dbraw/zinc/42/50/33/500425033.db2.gz CFRGEHXQEVAPGM-VQTJNVASSA-N 2 0 366.594 3.308 20 0 FGADRP O=C(C1CC[NH+](Cc2ccccc2)CC1)N1CC[NH2+]C[C@@H]1c1ccccc1 ZINC000423995496 500432346 /nfs/dbraw/zinc/43/23/46/500432346.db2.gz JMWZFJBLZCSMMS-JOCHJYFZSA-N 2 0 363.505 3.072 20 0 FGADRP Cn1nc(CCC[N@H+](C)CC[C@H]2CCC[NH2+]C2)cc1-c1ccc(F)cc1 ZINC000420295370 500435762 /nfs/dbraw/zinc/43/57/62/500435762.db2.gz ADEXPRDZKKOMAG-QGZVFWFLSA-N 2 0 358.505 3.480 20 0 FGADRP [NH3+]C1(CNC(=O)CCCc2cccs2)CC[NH+](Cc2ccccc2)CC1 ZINC000424018065 500437949 /nfs/dbraw/zinc/43/79/49/500437949.db2.gz IFLWPMNLJCHENM-UHFFFAOYSA-N 2 0 371.550 3.181 20 0 FGADRP O=C(c1cccc(C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1)N1CCCCC1 ZINC000420324178 500441582 /nfs/dbraw/zinc/44/15/82/500441582.db2.gz GWVLTTJEYZNXKJ-RTWAWAEBSA-N 2 0 355.526 3.134 20 0 FGADRP O=C1[C@H]([NH+]2CCC([C@H]3CCC[NH2+]3)CC2)CCN1c1ccc(Cl)c(F)c1 ZINC000420342624 500444528 /nfs/dbraw/zinc/44/45/28/500444528.db2.gz XHYDLVPYKVIKGX-QZTJIDSGSA-N 2 0 365.880 3.048 20 0 FGADRP O=C1[C@H]([NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)CCN1c1ccc(Cl)c(F)c1 ZINC000420342626 500444536 /nfs/dbraw/zinc/44/45/36/500444536.db2.gz XHYDLVPYKVIKGX-ZWKOTPCHSA-N 2 0 365.880 3.048 20 0 FGADRP Cc1sc2[nH]c([C@H](C)[N@@H+]3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)nc(=O)c2c1C ZINC000420340623 500444745 /nfs/dbraw/zinc/44/47/45/500444745.db2.gz MXHYUCZGEBIBKA-CFVMTHIKSA-N 2 0 360.527 3.396 20 0 FGADRP O=C(C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1)N[C@@H](c1ccccc1)C1CCCC1 ZINC000420341851 500444788 /nfs/dbraw/zinc/44/47/88/500444788.db2.gz WHPXBBZUWNWGMV-GMAHTHKFSA-N 2 0 369.553 3.498 20 0 FGADRP Clc1ccc(CCN2CC[NH+](CC[C@@H]3CC[NH2+]C3)CC2)cc1Cl ZINC000420371565 500449108 /nfs/dbraw/zinc/44/91/08/500449108.db2.gz KMGKZNDTMBNHDJ-INIZCTEOSA-N 2 0 356.341 3.153 20 0 FGADRP C[C@@H](c1ccc(OC(F)(F)F)cc1)[N@@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000420388706 500453212 /nfs/dbraw/zinc/45/32/12/500453212.db2.gz XIGGMZZGPWHWLG-WFASDCNBSA-N 2 0 369.391 3.034 20 0 FGADRP C[C@@H](NC(=O)[C@@H]1CCCCN1Cc1ccc(F)cc1)C(C)(C)C[NH+](C)C ZINC000428004229 500457230 /nfs/dbraw/zinc/45/72/30/500457230.db2.gz FTPZPVHZDVGCQH-APWZRJJASA-N 2 0 363.521 3.273 20 0 FGADRP C[C@@H](C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1)[C@H]([NH3+])c1ccccc1 ZINC000424214186 500469795 /nfs/dbraw/zinc/46/97/95/500469795.db2.gz BTVDUSLYEZSZPC-YCZSINBZSA-N 2 0 363.505 3.055 20 0 FGADRP COc1ccc(Cl)cc1NC(=O)CC[N@@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424283333 500481223 /nfs/dbraw/zinc/48/12/23/500481223.db2.gz BJSIHXVTJYWLDU-CQSZACIVSA-N 2 0 365.905 3.141 20 0 FGADRP C[C@H](c1ccc(Cl)cc1)N(C)C(=O)C[N@@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424297578 500483119 /nfs/dbraw/zinc/48/31/19/500483119.db2.gz SYROPUHKISWDQM-JKSUJKDBSA-N 2 0 363.933 3.323 20 0 FGADRP CN1CC[C@H](C[NH2+][C@@H]2CCCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CC1=O ZINC000424316251 500485955 /nfs/dbraw/zinc/48/59/55/500485955.db2.gz CVTIZESOBATEDG-LNRXMEIDSA-N 2 0 369.553 3.135 20 0 FGADRP CN1CC[C@H](C[NH2+][C@@H]2CCCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CC1=O ZINC000424316049 500485990 /nfs/dbraw/zinc/48/59/90/500485990.db2.gz CVTIZESOBATEDG-DXBBTUNJSA-N 2 0 369.553 3.135 20 0 FGADRP Cc1cc(C[NH3+])cc(NC(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)c1 ZINC000424426973 500502046 /nfs/dbraw/zinc/50/20/46/500502046.db2.gz BKWKKXCCAQHQJG-IBGZPJMESA-N 2 0 366.509 3.140 20 0 FGADRP CC(C)(C)[N@@H+]1CCc2nc(NC(=O)[C@H]3CCCc4nccn43)sc2C1 ZINC000424518879 500513011 /nfs/dbraw/zinc/51/30/11/500513011.db2.gz MIJNVXNLFTYQER-CYBMUJFWSA-N 2 0 359.499 3.012 20 0 FGADRP c1ccc(C[N@H+]2C[C@@H]3CCCC[C@H]([NH2+]CCCO[C@@H]4CCOC4)[C@@H]3C2)cc1 ZINC000428473233 500514907 /nfs/dbraw/zinc/51/49/07/500514907.db2.gz LWRWZPVTGBAXNI-AFXVXQJMSA-N 2 0 372.553 3.462 20 0 FGADRP CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC1CCC([NH+](C)C)CC1 ZINC000420899858 500526097 /nfs/dbraw/zinc/52/60/97/500526097.db2.gz JUXDFXODWUGBFN-QNGMFEMESA-N 2 0 372.557 3.023 20 0 FGADRP CC[N@@H+]1CCCN(C(=O)NCC2([NH2+][C@@H](C)c3ccccc3)CCCC2)CC1 ZINC000428697540 500545542 /nfs/dbraw/zinc/54/55/42/500545542.db2.gz AYRQCTSCIWTHRF-IBGZPJMESA-N 2 0 372.557 3.387 20 0 FGADRP CC[NH+]1CCC(N2CCC[N@H+](Cc3cccc(OC(F)F)c3)CC2)CC1 ZINC000420980739 500546612 /nfs/dbraw/zinc/54/66/12/500546612.db2.gz LVMAJRDGZKUKJQ-UHFFFAOYSA-N 2 0 367.484 3.280 20 0 FGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]CCC2CCOCC2)CC1 ZINC000432785477 500563238 /nfs/dbraw/zinc/56/32/38/500563238.db2.gz UIAFXTBLQQPBDH-QGZVFWFLSA-N 2 0 363.521 3.435 20 0 FGADRP CC(C)N1CCC[C@@H]([N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)C1=O ZINC000433048153 500613555 /nfs/dbraw/zinc/61/35/55/500613555.db2.gz MCMOHTHJTCUNEK-OAQYLSRUSA-N 2 0 369.553 3.374 20 0 FGADRP O=C(C[NH2+][C@H]1CC2CCC1CC2)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000433063988 500617168 /nfs/dbraw/zinc/61/71/68/500617168.db2.gz VLIFRCZMTMRLHD-JITJBCMDSA-N 2 0 355.526 3.067 20 0 FGADRP CCn1cccc(C[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c1=O ZINC000433065288 500617749 /nfs/dbraw/zinc/61/77/49/500617749.db2.gz DPKPLWBURYROKN-YPAWHYETSA-N 2 0 365.521 3.259 20 0 FGADRP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1CCC(=O)Nc1ccccc1Oc1ccccc1 ZINC000442759103 500621190 /nfs/dbraw/zinc/62/11/90/500621190.db2.gz KGBLOTJWSGHTKQ-IAGOWNOFSA-N 2 0 353.466 3.477 20 0 FGADRP CCO[C@@H]1C[C@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)[C@@]12CCCO2 ZINC000447597681 500631104 /nfs/dbraw/zinc/63/11/04/500631104.db2.gz TUQXBJWHEPMPBW-UKIFCOJHSA-N 2 0 370.537 3.498 20 0 FGADRP Cc1ccc([C@@H]2CCC[C@H]2N(C)C(=O)CCC[NH+]2CCC([NH3+])CC2)cc1 ZINC000433159288 500636811 /nfs/dbraw/zinc/63/68/11/500636811.db2.gz DKCYPBXBGXJGHN-LEWJYISDSA-N 2 0 357.542 3.293 20 0 FGADRP [NH3+]C1CC[NH+](CCCC(=O)Nc2ccc(COC3CCCC3)cc2)CC1 ZINC000433167271 500637947 /nfs/dbraw/zinc/63/79/47/500637947.db2.gz MTINBSLWYSJJIF-UHFFFAOYSA-N 2 0 359.514 3.288 20 0 FGADRP CC(C)[C@H](NC(=O)CCC[NH+]1CCC([NH3+])CC1)c1ccccc1Cl ZINC000433170619 500638347 /nfs/dbraw/zinc/63/83/47/500638347.db2.gz YFZSKXBWRIJRAK-IBGZPJMESA-N 2 0 351.922 3.357 20 0 FGADRP CCC[NH+]1CCC(NC(=O)[C@@]23CCC[C@@H]2C[N@H+](Cc2ccccc2)C3)CC1 ZINC000442901214 500644326 /nfs/dbraw/zinc/64/43/26/500644326.db2.gz NZSWHWGCZRQUJT-NFBKMPQASA-N 2 0 369.553 3.279 20 0 FGADRP Cc1cc(C(F)(F)F)ccc1C[NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000443005683 500661853 /nfs/dbraw/zinc/66/18/53/500661853.db2.gz XAOKQELCHHBXMB-QZTJIDSGSA-N 2 0 356.432 3.481 20 0 FGADRP C[C@H]1C[NH+](CCCC[NH2+]Cc2ncc(C(F)(F)F)s2)C[C@H](C)O1 ZINC000433301941 500667189 /nfs/dbraw/zinc/66/71/89/500667189.db2.gz HLZWZNZWKIDSPZ-RYUDHWBXSA-N 2 0 351.438 3.141 20 0 FGADRP [NH3+]CC[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(Oc3ccccc3)cc2)C1 ZINC000443061105 500671694 /nfs/dbraw/zinc/67/16/94/500671694.db2.gz QXVNJSPYTLGHDH-KRWDZBQOSA-N 2 0 353.466 3.478 20 0 FGADRP [NH3+]CC[C@H]1CCC[N@H+](CC(=O)N[C@@H](Cc2ccccc2)c2ccccc2)C1 ZINC000443064948 500672233 /nfs/dbraw/zinc/67/22/33/500672233.db2.gz ZCJTZXWZRQBSIT-IRLDBZIGSA-N 2 0 365.521 3.147 20 0 FGADRP c1cc(-c2n[nH]cc2C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)cs1 ZINC000437713217 500685430 /nfs/dbraw/zinc/68/54/30/500685430.db2.gz FZDGMXPYASKGQX-UHFFFAOYSA-N 2 0 360.527 3.073 20 0 FGADRP Cc1nn(C)c(C[NH2+]CCCC[NH+]2C[C@@H](C)C[C@H](C)C2)c1Br ZINC000447944127 500694149 /nfs/dbraw/zinc/69/41/49/500694149.db2.gz ZHVWNHBRAFEAGL-KBPBESRZSA-N 2 0 371.367 3.339 20 0 FGADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)NC[C@H]1CCCC[NH+]1C1CC1 ZINC000433560214 500712613 /nfs/dbraw/zinc/71/26/13/500712613.db2.gz LCVZDCFZKWYVKR-OAQYLSRUSA-N 2 0 372.557 3.343 20 0 FGADRP C[C@H](C(=O)NCc1ccccc1)[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000443589197 500742544 /nfs/dbraw/zinc/74/25/44/500742544.db2.gz KBVNNTLSPVKMGV-LJQANCHMSA-N 2 0 357.542 3.279 20 0 FGADRP C[NH+](C)CCc1ccc(C(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2)cc1 ZINC000570694264 506214080 /nfs/dbraw/zinc/21/40/80/506214080.db2.gz KTTKSVKRGJHSOI-UHFFFAOYSA-N 2 0 371.500 3.134 20 0 FGADRP CC[NH+](CC)CCOC1CC[NH+](Cc2ccnn2-c2ccccc2)CC1 ZINC000448341985 500750121 /nfs/dbraw/zinc/75/01/21/500750121.db2.gz CCNYIAJOXFDMIV-UHFFFAOYSA-N 2 0 356.514 3.195 20 0 FGADRP CN1CC[N@H+](C)C[C@H]1CNc1cc[nH+]c2ccc(Oc3ccccc3)cc12 ZINC000434099713 500795393 /nfs/dbraw/zinc/79/53/93/500795393.db2.gz KKIIOUAVUMEGPD-QGZVFWFLSA-N 2 0 362.477 3.107 20 0 FGADRP C[C@@H](C(=O)N[C@@H](C[NH3+])c1ccc2ccccc2c1)[N@H+](C)Cc1ccccc1 ZINC000434696763 500880247 /nfs/dbraw/zinc/88/02/47/500880247.db2.gz HUAHRPNUTVFEOT-JTSKRJEESA-N 2 0 361.489 3.476 20 0 FGADRP c1cc2c(cc1C[NH+]1CCC(OCC[NH+]3CCCC3)CC1)OCCCCO2 ZINC000449028950 500904568 /nfs/dbraw/zinc/90/45/68/500904568.db2.gz NIAMIOZUUMBOIX-UHFFFAOYSA-N 2 0 374.525 3.315 20 0 FGADRP C[C@@H](C[NH2+]CCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000449080920 500919750 /nfs/dbraw/zinc/91/97/50/500919750.db2.gz AHCRFIXMHROQHN-KURKYZTESA-N 2 0 366.571 3.151 20 0 FGADRP C[C@H](C[NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000449081674 500920409 /nfs/dbraw/zinc/92/04/09/500920409.db2.gz HBOZUROXWNNBNG-QZTJIDSGSA-N 2 0 366.571 3.295 20 0 FGADRP C[C@H](C[NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)c1cc(F)cc(F)c1 ZINC000449083309 500920835 /nfs/dbraw/zinc/92/08/35/500920835.db2.gz SULCQHFXQWGAAP-OAHLLOKOSA-N 2 0 360.452 3.005 20 0 FGADRP CC[NH+](CC)CCOc1ccc(C[NH2+][C@H]2CSC[C@@H]2C)cc1OC ZINC000449086603 500921546 /nfs/dbraw/zinc/92/15/46/500921546.db2.gz CXRACASONCGIRH-RDJZCZTQSA-N 2 0 352.544 3.257 20 0 FGADRP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]C[C@@H](O)Cc2ccccc2)CC1 ZINC000449125348 500930825 /nfs/dbraw/zinc/93/08/25/500930825.db2.gz JCDAJGFBZGILMM-XXBNENTESA-N 2 0 352.522 3.275 20 0 FGADRP COc1cccc2c(C[NH2+]C3CC[NH+](C[C@H]4CCOC4)CC3)cccc12 ZINC000449162805 500937819 /nfs/dbraw/zinc/93/78/19/500937819.db2.gz UBYCTUUETNGCDI-QGZVFWFLSA-N 2 0 354.494 3.439 20 0 FGADRP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]CCC(=O)N2CCCCCC2)CC1 ZINC000449217723 500950708 /nfs/dbraw/zinc/95/07/08/500950708.db2.gz BGDUWRANPRGYIL-HXUWFJFHSA-N 2 0 371.569 3.464 20 0 FGADRP C[C@H](COc1ccc(Cl)c(Cl)c1)[NH2+][C@@H](C)CCN1CC[NH+](C)CC1 ZINC000449252488 500958327 /nfs/dbraw/zinc/95/83/27/500958327.db2.gz VLIMWHSPLAMJEW-LSDHHAIUSA-N 2 0 374.356 3.376 20 0 FGADRP CC[NH2+]CC1CC[NH+](Cc2c(C)nn(Cc3ccc(OC)cc3)c2C)CC1 ZINC000435370014 500960880 /nfs/dbraw/zinc/96/08/80/500960880.db2.gz HFFPCNHOLGRVLL-UHFFFAOYSA-N 2 0 370.541 3.378 20 0 FGADRP C[C@H]([NH3+])C1CC[NH+](Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)CC1 ZINC000435373288 500961350 /nfs/dbraw/zinc/96/13/50/500961350.db2.gz DFYFQVJXQPQFFQ-ZDUSSCGKSA-N 2 0 352.404 3.450 20 0 FGADRP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3cc4ccccc4nc3N3CCCCC3)C[C@@H]12 ZINC000435379301 500964007 /nfs/dbraw/zinc/96/40/07/500964007.db2.gz LZMXTPUUJGYJNO-DFQSSKMNSA-N 2 0 350.510 3.394 20 0 FGADRP C[C@H]([NH3+])[C@@H]1CCCN(Cc2cc(Cl)ccc2OC[C@H]2CCCO2)C1 ZINC000435385642 500964973 /nfs/dbraw/zinc/96/49/73/500964973.db2.gz QVTZRPJGQMRGDT-HDMKZQKVSA-N 2 0 352.906 3.457 20 0 FGADRP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3cnn(Cc4ccc(C(F)(F)F)cc4)c3)C[C@@H]12 ZINC000435388599 500965543 /nfs/dbraw/zinc/96/55/43/500965543.db2.gz HLVRJUMSJFQMPY-KBAYOESNSA-N 2 0 364.415 3.119 20 0 FGADRP C[N@H+](Cc1cc(Br)c2c(c1)OCCCO2)[C@@H]1CCC[NH2+]CC1 ZINC000435447735 500979448 /nfs/dbraw/zinc/97/94/48/500979448.db2.gz QXFVIEIRGZRMKL-CQSZACIVSA-N 2 0 369.303 3.184 20 0 FGADRP C[C@@H]1CSC[C@@H]1[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000449343930 500982931 /nfs/dbraw/zinc/98/29/31/500982931.db2.gz OFTDTODFEITDIE-RLLQIKCJSA-N 2 0 360.567 3.256 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@H]2CCCC[NH+]2CC(C)C)C[C@@H]1C ZINC000440185765 500985447 /nfs/dbraw/zinc/98/54/47/500985447.db2.gz LACZOBMNIDPUIR-GBESFXJTSA-N 2 0 352.567 3.011 20 0 FGADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]C3CCC(CS(C)(=O)=O)CC3)CC2)C1 ZINC000449371183 500988882 /nfs/dbraw/zinc/98/88/82/500988882.db2.gz RFHJONUCHPSMJQ-KMEYYKJISA-N 2 0 370.603 3.223 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cccc(F)c1SC ZINC000435697094 501013956 /nfs/dbraw/zinc/01/39/56/501013956.db2.gz MKBMDCNBNVQCFQ-OAHLLOKOSA-N 2 0 367.534 3.036 20 0 FGADRP CN(c1ccccc1C[N@@H+]1CC[C@@H]2C[C@@H](O)CC[C@H]2C1)C1CC[NH+](C)CC1 ZINC000449557563 501033134 /nfs/dbraw/zinc/03/31/34/501033134.db2.gz UZNZMRBFURXMHP-DXIQSLLYSA-N 2 0 371.569 3.200 20 0 FGADRP CC(C)OC(=O)c1ccc(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)cc1 ZINC000441147816 501094440 /nfs/dbraw/zinc/09/44/40/501094440.db2.gz AQZCVVBYGQNKIV-UHFFFAOYSA-N 2 0 374.525 3.186 20 0 FGADRP CCc1ccc2[nH+]ccc(N3CC[C@@H]([NH+]4CCN(C)CC4)[C@@H](C)C3)c2c1 ZINC000450403509 501113333 /nfs/dbraw/zinc/11/33/33/501113333.db2.gz AXIXWNOLUBVYOJ-LAUBAEHRSA-N 2 0 352.526 3.259 20 0 FGADRP CCc1cc(NC[C@@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)cc[nH+]1 ZINC000450542003 501149674 /nfs/dbraw/zinc/14/96/74/501149674.db2.gz GCCRXNUJJFRAMC-HXUWFJFHSA-N 2 0 365.521 3.407 20 0 FGADRP CC(C)[C@H](COCc1ccccc1)[NH2+]C[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC000446746226 501160257 /nfs/dbraw/zinc/16/02/57/501160257.db2.gz SYGWNBMRPDZGRK-VXKWHMMOSA-N 2 0 361.574 3.089 20 0 FGADRP C[N@H+](CCc1cscn1)[C@@H]1CCCN(CCc2cscn2)CC1 ZINC000450617406 501167055 /nfs/dbraw/zinc/16/70/55/501167055.db2.gz SURMPIHDDFEJJV-QGZVFWFLSA-N 2 0 350.557 3.171 20 0 FGADRP C=Cn1cc(C[NH2+]CCc2ccc(OCC[N@H+]3C[C@H](C)[C@H](C)C3)cc2)cn1 ZINC000446816705 501168011 /nfs/dbraw/zinc/16/80/11/501168011.db2.gz GSIQWARSXPBWPZ-KDURUIRLSA-N 2 0 368.525 3.283 20 0 FGADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@H]2CCCN(c3ccnn3C)C2)CC1 ZINC000447066099 501199517 /nfs/dbraw/zinc/19/95/17/501199517.db2.gz JLWBWWVREFGAIW-HOJAQTOUSA-N 2 0 359.562 3.022 20 0 FGADRP CCC(CC)n1ccc(CN2CC[C@@H](Oc3cccnc3N(C)C)C2)n1 ZINC000451030837 501240585 /nfs/dbraw/zinc/24/05/85/501240585.db2.gz VCPSKKGGDZGTCP-GOSISDBHSA-N 2 0 357.502 3.359 20 0 FGADRP CC[N@H+](CCNC(=O)[C@H]1CCCC[NH+]1C1CCCC1)CCC(F)(F)F ZINC000451170340 501249682 /nfs/dbraw/zinc/24/96/82/501249682.db2.gz DDHAOGJAMYSZKJ-MRXNPFEDSA-N 2 0 363.468 3.174 20 0 FGADRP C[C@H]([NH2+]CC1CC[NH+](CCO)CC1)c1ccc(Oc2ccccc2)cn1 ZINC000453106639 501270579 /nfs/dbraw/zinc/27/05/79/501270579.db2.gz YZAGJZVBCDANBV-KRWDZBQOSA-N 2 0 355.482 3.229 20 0 FGADRP CC[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1)c1ccncc1 ZINC000453107710 501271257 /nfs/dbraw/zinc/27/12/57/501271257.db2.gz JINYLDOHGIYXGT-SFTDATJTSA-N 2 0 366.509 3.020 20 0 FGADRP CCc1nc(CC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)no1 ZINC000453128468 501274781 /nfs/dbraw/zinc/27/47/81/501274781.db2.gz DIIALLUAXBYGNB-GUDVDZBRSA-N 2 0 354.498 3.207 20 0 FGADRP Cc1cnc(CC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)nc1 ZINC000453179892 501286528 /nfs/dbraw/zinc/28/65/28/501286528.db2.gz PPQOVOHSAFZTKM-NJYVYQBISA-N 2 0 350.510 3.360 20 0 FGADRP C[N@H+](CCCCNC(=O)N1CC[NH+](C(C)(C)CC(C)(C)C)CC1)C1CC1 ZINC000455620044 501348700 /nfs/dbraw/zinc/34/87/00/501348700.db2.gz RSTJJHPITJQGNV-UHFFFAOYSA-N 2 0 366.594 3.403 20 0 FGADRP Cc1cc(Br)c(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)s1 ZINC000453560037 501348806 /nfs/dbraw/zinc/34/88/06/501348806.db2.gz GIVKFAXKMJYBFW-UHFFFAOYSA-N 2 0 373.360 3.363 20 0 FGADRP C[C@H]([NH2+]C(C)(C)CNC(=O)N1CC[N@@H+](C2CC2)C[C@H](C)C1)c1ccccc1 ZINC000458376382 501430593 /nfs/dbraw/zinc/43/05/93/501430593.db2.gz QNONWLPITTUKSA-ROUUACIJSA-N 2 0 372.557 3.242 20 0 FGADRP CC1CC[NH+](C2CCC(NC(=O)NCCCC[N@H+](C)C3CC3)CC2)CC1 ZINC000458568686 501476322 /nfs/dbraw/zinc/47/63/22/501476322.db2.gz LDJIDZTWGYFUNP-UHFFFAOYSA-N 2 0 364.578 3.203 20 0 FGADRP CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000454244597 501490399 /nfs/dbraw/zinc/49/03/99/501490399.db2.gz KBKNVYCLELCKAV-FQEVSTJZSA-N 2 0 360.546 3.058 20 0 FGADRP C[C@@H](NC(=O)NC(C)(C)C[NH+]1CCCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000458663792 501502159 /nfs/dbraw/zinc/50/21/59/501502159.db2.gz FUAYYMBDBIBAKB-QUCCMNQESA-N 2 0 372.557 3.071 20 0 FGADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)NCCCCC[NH+]2CCCC2)C1 ZINC000454358532 501522093 /nfs/dbraw/zinc/52/20/93/501522093.db2.gz GRXINQMSPZZSHK-FPOVZHCZSA-N 2 0 372.557 3.387 20 0 FGADRP C[C@@H]1C[C@H](N(C)C(=O)NCC2([NH+](C)Cc3ccccc3)CCC2)CC[N@@H+]1C ZINC000458972863 501568378 /nfs/dbraw/zinc/56/83/78/501568378.db2.gz LGCZSFFSCRQFPD-UYAOXDASSA-N 2 0 372.557 3.165 20 0 FGADRP C[N@@H+]1CCC[C@@H](CCNC(=O)N2CCC[NH+](CC3CCCCC3)CC2)C1 ZINC000459254092 501619817 /nfs/dbraw/zinc/61/98/17/501619817.db2.gz HQPJESQAKQIILY-FQEVSTJZSA-N 2 0 364.578 3.016 20 0 FGADRP CCOc1cc(C[NH+]2CCC(OCC[NH+](CC)CC)CC2)ccc1O ZINC000459364933 501639964 /nfs/dbraw/zinc/63/99/64/501639964.db2.gz WYUORYSFQXGEEG-UHFFFAOYSA-N 2 0 350.503 3.114 20 0 FGADRP CC(C)(C[NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1ccc2c(c1)OCO2 ZINC000459393009 501645726 /nfs/dbraw/zinc/64/57/26/501645726.db2.gz XLMJBAJNBIRMDR-UHFFFAOYSA-N 2 0 353.466 3.347 20 0 FGADRP COc1ccc(-c2ccccc2C)cc1C[NH2+]C[C@H](C)N1CC[NH+](C)CC1 ZINC000459418376 501650672 /nfs/dbraw/zinc/65/06/72/501650672.db2.gz AAFUWMUPVDPVBY-IBGZPJMESA-N 2 0 367.537 3.396 20 0 FGADRP COc1ccc(C)cc1[C@@H](C)[NH2+]CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000459666998 501695636 /nfs/dbraw/zinc/69/56/36/501695636.db2.gz NSMHMKPBEYYLSI-XLIONFOSSA-N 2 0 369.509 3.073 20 0 FGADRP Cn1c(C[NH2+]CC[C@H]2CCC[N@H+](C)C2)nc2cc(C(F)(F)F)ccc21 ZINC000459733427 501705816 /nfs/dbraw/zinc/70/58/16/501705816.db2.gz NMWMCHRYBZNWKF-CYBMUJFWSA-N 2 0 354.420 3.414 20 0 FGADRP COc1ccc([C@H](CO)C[NH2+]C2CC[NH+]([C@@H]3CCC[C@H](C)C3)CC2)cc1 ZINC000459765327 501711299 /nfs/dbraw/zinc/71/12/99/501711299.db2.gz XGMQOAVSZSOJDT-HFSMHLIXSA-N 2 0 360.542 3.404 20 0 FGADRP Cc1ccc([C@@H](CNC(=O)C2(C[NH+](C)C)CCCCC2)[NH+]2CCCC2)o1 ZINC000460185920 501751915 /nfs/dbraw/zinc/75/19/15/501751915.db2.gz BBXLDGXWFXXNNU-GOSISDBHSA-N 2 0 361.530 3.353 20 0 FGADRP C[C@@H](C(=O)N(C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1)[NH+]1CCCCCC1 ZINC000470669368 501760746 /nfs/dbraw/zinc/76/07/46/501760746.db2.gz JXQGROKOMOWCCB-PZJWPPBQSA-N 2 0 357.542 3.374 20 0 FGADRP C[C@H]1CCC[N@H+](CCNC(=O)N(C)[C@@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000470736892 501787203 /nfs/dbraw/zinc/78/72/03/501787203.db2.gz KXUFGMLUJYGOQJ-PZJWPPBQSA-N 2 0 372.557 3.024 20 0 FGADRP CN(C(=O)Nc1cccc(C[NH+](C)C)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000474337647 501795973 /nfs/dbraw/zinc/79/59/73/501795973.db2.gz OTYGDPNRXBHJJP-OAQYLSRUSA-N 2 0 366.509 3.486 20 0 FGADRP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)NC1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC000460359439 501803865 /nfs/dbraw/zinc/80/38/65/501803865.db2.gz FNSWPKPBHNMKJP-GUDVDZBRSA-N 2 0 374.573 3.171 20 0 FGADRP C[C@H]([NH2+][C@H]1CC(=O)N(c2ccccc2)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000477854472 501811006 /nfs/dbraw/zinc/81/10/06/501811006.db2.gz BKUHBGXNHFYBKU-HKUYNNGSSA-N 2 0 367.493 3.083 20 0 FGADRP COC(=O)c1csc(-c2cccc(C[NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)c2)n1 ZINC000477859775 501812226 /nfs/dbraw/zinc/81/22/26/501812226.db2.gz UTXSMDAOHZLTQN-DLBZAZTESA-N 2 0 371.506 3.313 20 0 FGADRP CCOC[C@H]1CCC[C@@H]1[NH2+]Cc1ccccc1CN1CC[NH+](CC)CC1 ZINC000474464490 501845137 /nfs/dbraw/zinc/84/51/37/501845137.db2.gz POTKKULXSZNUDL-YADHBBJMSA-N 2 0 359.558 3.119 20 0 FGADRP CC(C)[C@@H](C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)c1ccccc1 ZINC000474469811 501847151 /nfs/dbraw/zinc/84/71/51/501847151.db2.gz MQSUTWADMQWHDR-OAQYLSRUSA-N 2 0 352.526 3.363 20 0 FGADRP CC1CC[NH+](Cc2ccccc2CNC(=O)C[C@H]2CCC[NH2+]CC2)CC1 ZINC000478008516 501852010 /nfs/dbraw/zinc/85/20/10/501852010.db2.gz FRUMVNZZSRNXFB-IBGZPJMESA-N 2 0 357.542 3.315 20 0 FGADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@H]1C[C@]12CCCc1ccccc12 ZINC000478082211 501876005 /nfs/dbraw/zinc/87/60/05/501876005.db2.gz FXYZEVGKLSHRBY-GGAORHGYSA-N 2 0 371.569 3.013 20 0 FGADRP C[NH+](C)CCN(Cc1ccccc1)C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000485641026 501885732 /nfs/dbraw/zinc/88/57/32/501885732.db2.gz YRMUILITJYFDMY-HXUWFJFHSA-N 2 0 357.542 3.231 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N1CC[C@H]([NH+]2CCCC2)[C@H]1C)CC(C)C ZINC000478198946 501906942 /nfs/dbraw/zinc/90/69/42/501906942.db2.gz BIBITJHGELDGNJ-QYZOEREBSA-N 2 0 352.567 3.011 20 0 FGADRP C[C@@H](Cc1ccccc1C(F)(F)F)[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000481915506 501917470 /nfs/dbraw/zinc/91/74/70/501917470.db2.gz WIBKERMOANGJAM-HNNXBMFYSA-N 2 0 357.464 3.252 20 0 FGADRP CC[NH+](CC)CCCCNC(=O)[C@@H]1CCCCN1Cc1ccc(F)cc1 ZINC000474700694 501926027 /nfs/dbraw/zinc/92/60/27/501926027.db2.gz IDYRZESVSDTVIW-FQEVSTJZSA-N 2 0 363.521 3.418 20 0 FGADRP CC[N@@H+]1CC[C@H]([NH+](C)CCOc2ccc(Br)cc2)[C@@H](C)C1 ZINC000471244295 501966103 /nfs/dbraw/zinc/96/61/03/501966103.db2.gz PFOXBUREHOXWQN-YOEHRIQHSA-N 2 0 355.320 3.490 20 0 FGADRP C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)[C@@H](C[NH+]2CCCC2)c2ccccc2)C1 ZINC000611756664 506285884 /nfs/dbraw/zinc/28/58/84/506285884.db2.gz BFGYTZVPTFWKCQ-UNMCSNQZSA-N 2 0 369.553 3.056 20 0 FGADRP C[C@@H]1Cc2ccccc2[C@@H]1[NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000482116036 501980370 /nfs/dbraw/zinc/98/03/70/501980370.db2.gz UDPWCWDWSPBRFN-XMSQKQJNSA-N 2 0 350.510 3.117 20 0 FGADRP C[C@H](CNC(=O)N(CC[NH+](C)C)C1CCCC1)[N@H+](C)Cc1ccccc1 ZINC000468311489 502021342 /nfs/dbraw/zinc/02/13/42/502021342.db2.gz WKQDLESAMITFSN-GOSISDBHSA-N 2 0 360.546 3.023 20 0 FGADRP C[C@@H]1C[C@@H](c2ccccc2)C[N@@H+]1CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000475018422 502022352 /nfs/dbraw/zinc/02/23/52/502022352.db2.gz UWNQRBIHSNGEHP-QIJUGHKUSA-N 2 0 365.521 3.284 20 0 FGADRP C[NH+](C)CCN(C(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1)C1CCCC1 ZINC000468327136 502025298 /nfs/dbraw/zinc/02/52/98/502025298.db2.gz PGRORLPPQZVXFO-NRFANRHFSA-N 2 0 372.557 3.339 20 0 FGADRP CN(C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475100682 502059033 /nfs/dbraw/zinc/05/90/33/502059033.db2.gz KACXEBGRGSCLHO-WOJBJXKFSA-N 2 0 374.573 3.269 20 0 FGADRP CCc1ccc([C@@H](C)[NH2+]CCCC[NH+]2CCN(c3ncccn3)CC2)cc1 ZINC000482436539 502067411 /nfs/dbraw/zinc/06/74/11/502067411.db2.gz IMBBNHPDXIEMTP-LJQANCHMSA-N 2 0 367.541 3.292 20 0 FGADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N(C)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000475129613 502070643 /nfs/dbraw/zinc/07/06/43/502070643.db2.gz KHKDEOIMWJBTJH-SVFBPWRDSA-N 2 0 372.557 3.023 20 0 FGADRP C[C@@H](C[NH2+][C@@H](C)c1ccc(OCC(F)(F)F)cc1)CN1CC[NH+](C)CC1 ZINC000482501287 502089433 /nfs/dbraw/zinc/08/94/33/502089433.db2.gz BTKQACXNXWPKDB-HOTGVXAUSA-N 2 0 373.463 3.162 20 0 FGADRP C[C@H](C[NH2+][C@@H](C)c1ccc(OCC(F)(F)F)cc1)CN1CC[NH+](C)CC1 ZINC000482500578 502089462 /nfs/dbraw/zinc/08/94/62/502089462.db2.gz BTKQACXNXWPKDB-CVEARBPZSA-N 2 0 373.463 3.162 20 0 FGADRP CC(C)[C@@H](CNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C)[NH+]1CCc2ccccc2C1 ZINC000468525292 502092062 /nfs/dbraw/zinc/09/20/62/502092062.db2.gz VDBDZNWYGAEITN-LVCYWYKZSA-N 2 0 357.542 3.058 20 0 FGADRP COc1ccc2oc([C@H](C)[NH2+]CCCN3CCC[N@H+](C)CC3)c(C)c2c1 ZINC000482569481 502113811 /nfs/dbraw/zinc/11/38/11/502113811.db2.gz VUNZGAPMYZBXMR-KRWDZBQOSA-N 2 0 359.514 3.428 20 0 FGADRP O=C(NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH+]1C1CC1 ZINC000461469555 502126951 /nfs/dbraw/zinc/12/69/51/502126951.db2.gz LSHQWYRJVPTSNF-FPOVZHCZSA-N 2 0 355.526 3.032 20 0 FGADRP C[C@@H](CC[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1)OCc1ccccc1 ZINC000475316820 502131733 /nfs/dbraw/zinc/13/17/33/502131733.db2.gz MIUZPPZPWVASJV-NRFANRHFSA-N 2 0 373.585 3.331 20 0 FGADRP CC[NH+]1CCN(c2ccccc2C[N@@H+]2CCCC[C@@H](CCOC)C2)CC1 ZINC000468691655 502148089 /nfs/dbraw/zinc/14/80/89/502148089.db2.gz YGFFPOPMJYEZMG-FQEVSTJZSA-N 2 0 359.558 3.467 20 0 FGADRP C[NH+](C)Cc1ccccc1C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000486481609 502165905 /nfs/dbraw/zinc/16/59/05/502165905.db2.gz JLSKCJNILAMVLY-FQEVSTJZSA-N 2 0 351.494 3.143 20 0 FGADRP C[C@@H](C[NH+]1CCCCCC1)NC(=O)NCCCC[N@@H+]1CCCC[C@@H]1C ZINC000482738799 502166454 /nfs/dbraw/zinc/16/64/54/502166454.db2.gz GUCRGDQTJCIWLG-OALUTQOASA-N 2 0 352.567 3.205 20 0 FGADRP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000461729932 502182411 /nfs/dbraw/zinc/18/24/11/502182411.db2.gz QKIYNSQDTQDIJH-TZIWHRDSSA-N 2 0 372.557 3.167 20 0 FGADRP Cc1ccc([C@H](CNC(=O)[C@H](C[NH3+])c2ccc(F)cc2)[NH+]2CCCC2)cc1 ZINC000479205370 502192834 /nfs/dbraw/zinc/19/28/34/502192834.db2.gz LECKGYPFRVVAQW-RTWAWAEBSA-N 2 0 369.484 3.130 20 0 FGADRP COC(=O)c1ccc(-c2nc(CN3CCC[C@H](n4ccnc4)C3)co2)cc1 ZINC000611782160 506301268 /nfs/dbraw/zinc/30/12/68/506301268.db2.gz WGYBTDRQCNOUAH-SFHVURJKSA-N 2 0 366.421 3.162 20 0 FGADRP CCN(CCC[NH+]1CCCC1)C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000472071347 502219652 /nfs/dbraw/zinc/21/96/52/502219652.db2.gz BXBULCYELZYDGR-OAQYLSRUSA-N 2 0 372.557 3.168 20 0 FGADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC1(C(=O)N(C)C)CCCC1 ZINC000482940250 502222361 /nfs/dbraw/zinc/22/23/61/502222361.db2.gz DEGWXYSLIHYZPT-AZUAARDMSA-N 2 0 357.542 3.135 20 0 FGADRP CC[NH+](CC)[C@H](C)CNC(=O)NCC[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000472114646 502237604 /nfs/dbraw/zinc/23/76/04/502237604.db2.gz GOSAIUIBAIPQJE-ZVDOUQERSA-N 2 0 374.573 3.317 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N1CC[C@H]([NH+](CC)CC)C1)c1ccccc1 ZINC000465419384 502256701 /nfs/dbraw/zinc/25/67/01/502256701.db2.gz AVRZETKTGKNSGD-VQTJNVASSA-N 2 0 360.546 3.195 20 0 FGADRP CC(C)[NH+]1CCC(C(=O)NCC2CC[NH+](Cc3cccs3)CC2)CC1 ZINC000461972763 502258341 /nfs/dbraw/zinc/25/83/41/502258341.db2.gz KIYFORPKKVKAMQ-UHFFFAOYSA-N 2 0 363.571 3.197 20 0 FGADRP CC[NH+](CC)CCOCC[NH2+][C@@H]1CCCc2nn(-c3ccccc3)cc21 ZINC000479436682 502259619 /nfs/dbraw/zinc/25/96/19/502259619.db2.gz KITFWNAPCFRBIA-HXUWFJFHSA-N 2 0 356.514 3.198 20 0 FGADRP CC[NH+](CC)[C@H]1CCN(C(=O)NCC2([NH+]3CCCCC3)CCCCC2)C1 ZINC000465435553 502262304 /nfs/dbraw/zinc/26/23/04/502262304.db2.gz BFXYLRXSJQQJEB-IBGZPJMESA-N 2 0 364.578 3.301 20 0 FGADRP C[C@@H]1CCCN1C(=O)CC[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000475727570 502267801 /nfs/dbraw/zinc/26/78/01/502267801.db2.gz FKYHVRFWHBNEAI-OFNKIYASSA-N 2 0 369.553 3.376 20 0 FGADRP CC(C)[N@@H+](C)C[C@H](C)NC(=O)N1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000462004226 502270663 /nfs/dbraw/zinc/27/06/63/502270663.db2.gz QBAVOTFOAOOQEH-IPMKNSEASA-N 2 0 352.567 3.011 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](c1ccccc1)C1CC1 ZINC000465491157 502277274 /nfs/dbraw/zinc/27/72/74/502277274.db2.gz OMMWYERZOBPELU-RTWAWAEBSA-N 2 0 372.557 3.195 20 0 FGADRP CC[NH+]1CCC(NC(=O)C[NH+]2CCC(CC)(Cc3ccccc3)CC2)CC1 ZINC000483132898 502284990 /nfs/dbraw/zinc/28/49/90/502284990.db2.gz WPSWYBJJLJSUEA-UHFFFAOYSA-N 2 0 371.569 3.322 20 0 FGADRP C[NH+](C)CCNC(=O)c1cccc(C[NH2+][C@H]2CCc3ccc(Cl)cc32)c1 ZINC000479529693 502287464 /nfs/dbraw/zinc/28/74/64/502287464.db2.gz QFFUXCUAXXVZNJ-FQEVSTJZSA-N 2 0 371.912 3.409 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)N1CC[C@H]([NH+](CC)CC)C1)Cc1ccccc1 ZINC000465522119 502287797 /nfs/dbraw/zinc/28/77/97/502287797.db2.gz BHXGEGAMTNHQNU-LEWJYISDSA-N 2 0 374.573 3.065 20 0 FGADRP CC(C)[C@@H](CNC(=O)N(C)CC[C@H]1CCCC[N@@H+]1C)[NH+]1CCC(C)CC1 ZINC000465530141 502291168 /nfs/dbraw/zinc/29/11/68/502291168.db2.gz NBOOMRGRESOYFQ-WOJBJXKFSA-N 2 0 366.594 3.259 20 0 FGADRP Cc1c([C@H](C)[NH2+][C@@H]2CCN(Cc3ccccc3)C[C@@H]2CO)cnn1C(C)C ZINC000469086234 502291480 /nfs/dbraw/zinc/29/14/80/502291480.db2.gz YHJOSSXQLMMXGW-UCNVEGJOSA-N 2 0 370.541 3.306 20 0 FGADRP C[NH+](C)[C@H]1CCC[C@@H](NC(=O)NC(C)(C)CC[NH+]2CCCCCC2)C1 ZINC000483152261 502293912 /nfs/dbraw/zinc/29/39/12/502293912.db2.gz RLZUMKYRBGYVCJ-MSOLQXFVSA-N 2 0 352.567 3.203 20 0 FGADRP CC[NH+]1CCC(CCNC(=O)NC[C@H](C(C)C)[NH+]2CCC(C)CC2)CC1 ZINC000465537524 502297324 /nfs/dbraw/zinc/29/73/24/502297324.db2.gz HDLBPIWYNVIDPF-HXUWFJFHSA-N 2 0 366.594 3.164 20 0 FGADRP C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC000465554250 502305061 /nfs/dbraw/zinc/30/50/61/502305061.db2.gz GIKPCPONOGSJCC-LQWHRVPQSA-N 2 0 372.557 3.200 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)NCc1ccccc1C[NH+]1CCCC[C@@H]1C ZINC000465581310 502315443 /nfs/dbraw/zinc/31/54/43/502315443.db2.gz YFZFBTOHVJIPRC-GHTZIAJQSA-N 2 0 372.557 3.345 20 0 FGADRP C[N@H+](CCCNC(=O)N[C@H]1CC[NH+](CC2CCCC2)C1)Cc1ccccc1 ZINC000465605633 502323604 /nfs/dbraw/zinc/32/36/04/502323604.db2.gz SMPHTLHNOCADEN-NRFANRHFSA-N 2 0 372.557 3.072 20 0 FGADRP COC(=O)c1coc(C[N@@H+]2CCCC[C@@H]2[C@H](C[NH3+])Cc2ccccc2)c1 ZINC000472363872 502330084 /nfs/dbraw/zinc/33/00/84/502330084.db2.gz ABDZKJPPMMSGIK-FXAWDEMLSA-N 2 0 356.466 3.238 20 0 FGADRP Cc1[nH]nc2ncc(C[N@@H+]3CCCC[C@@H]3[C@H](C[NH3+])Cc3ccccc3)cc12 ZINC000472376858 502334757 /nfs/dbraw/zinc/33/47/57/502334757.db2.gz ZINOPDNGIJZRQN-PZJWPPBQSA-N 2 0 363.509 3.438 20 0 FGADRP O=C(C[N@H+](CC1CC1)C1CCC1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000483294403 502341755 /nfs/dbraw/zinc/34/17/55/502341755.db2.gz NGJAKLZJOPEMEI-UHFFFAOYSA-N 2 0 355.526 3.163 20 0 FGADRP CN1CC[NH+](CC2(C)CC[NH+](Cc3ccc(OCC4CC4)cc3)CC2)CC1 ZINC000483303209 502344497 /nfs/dbraw/zinc/34/44/97/502344497.db2.gz DZMXWWXNHMZFRK-UHFFFAOYSA-N 2 0 371.569 3.325 20 0 FGADRP CC1CC[NH+]([C@H](CNC(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)c2ccccc2)CC1 ZINC000465721454 502359725 /nfs/dbraw/zinc/35/97/25/502359725.db2.gz KGYFMGUKBQXRQJ-HMXCVIKNSA-N 2 0 372.557 3.242 20 0 FGADRP Cc1ccccc1[C@H]([C@@H](C)NC(=O)N[C@H](C)C[NH+]1CCCCC1)[NH+](C)C ZINC000479790067 502378089 /nfs/dbraw/zinc/37/80/89/502378089.db2.gz QRZMWPFVTFSSQM-GGPKGHCWSA-N 2 0 360.546 3.160 20 0 FGADRP CC[NH+](CC)[C@H]1CCN(C(=O)NC[C@H](c2ccc(C)cc2)[NH+]2CCCC2)C1 ZINC000465814881 502392880 /nfs/dbraw/zinc/39/28/80/502392880.db2.gz MWAHGCCKIMLPAD-LEWJYISDSA-N 2 0 372.557 3.258 20 0 FGADRP CC[N@@H+]1CCC[C@H](CNC(=O)N[C@H](C[NH+](C)Cc2ccccc2)C(C)C)C1 ZINC000469427054 502412512 /nfs/dbraw/zinc/41/25/12/502412512.db2.gz XKSHAYDOQGFURA-NHCUHLMSSA-N 2 0 374.573 3.174 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](C)c1cc(C)cc(C)c1 ZINC000465903801 502422338 /nfs/dbraw/zinc/42/23/38/502422338.db2.gz DUQJXICTHXBUGQ-FPOVZHCZSA-N 2 0 374.573 3.422 20 0 FGADRP COc1cccc2c1CC[C@@H]2[NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000483529190 502422694 /nfs/dbraw/zinc/42/26/94/502422694.db2.gz HJZQVHWEPUBGES-FQEVSTJZSA-N 2 0 357.542 3.222 20 0 FGADRP COc1cc2c(NC[C@@H](C(C)C)[NH+]3CCN(C)CC3)cc[nH+]c2cc1F ZINC000479936964 502423637 /nfs/dbraw/zinc/42/36/37/502423637.db2.gz CDWGJUXYCJSYND-IBGZPJMESA-N 2 0 360.477 3.066 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NCCCC[NH+]2CCCC[C@H]2C)C[C@H]1C ZINC000483682976 502461917 /nfs/dbraw/zinc/46/19/17/502461917.db2.gz LFSZDWIXBLMFQO-QRVBRYPASA-N 2 0 352.567 3.155 20 0 FGADRP CCC[N@H+](CC)CCNC(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000472902494 502468851 /nfs/dbraw/zinc/46/88/51/502468851.db2.gz IIDRJQSOKWQSFF-UHFFFAOYSA-N 2 0 360.546 3.204 20 0 FGADRP C[C@H](C[NH+]1CCCCC1)NC(=O)NCC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000472970077 502487764 /nfs/dbraw/zinc/48/77/64/502487764.db2.gz KLAADWGEBINFCM-RTBURBONSA-N 2 0 360.546 3.071 20 0 FGADRP CCN(CCC[NH+]1CCCC1)C(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000472990667 502492794 /nfs/dbraw/zinc/49/27/94/502492794.db2.gz MPJAYWMGTNLUIY-NRFANRHFSA-N 2 0 357.542 3.233 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C/C=C/c1cccc(F)c1 ZINC000487747148 502520673 /nfs/dbraw/zinc/52/06/73/502520673.db2.gz FRCFCQJEBRCCEL-AQDCRGGLSA-N 2 0 361.505 3.104 20 0 FGADRP CN(C(=O)NCC1([NH+]2CCCCC2)CCCCC1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000476546393 502520686 /nfs/dbraw/zinc/52/06/86/502520686.db2.gz VMONMODLMJWLJA-IBGZPJMESA-N 2 0 362.562 3.053 20 0 FGADRP C[NH+](C)CCN(Cc1ccccc1)C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000466300249 502530767 /nfs/dbraw/zinc/53/07/67/502530767.db2.gz UPRDXYVXGXABBR-OAQYLSRUSA-N 2 0 372.557 3.024 20 0 FGADRP CC(C)[NH+]1CCC(C(=O)N[C@H]2[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000473276113 502556558 /nfs/dbraw/zinc/55/65/58/502556558.db2.gz BFIRXNTXCCJXCS-NGRWLJPCSA-N 2 0 371.569 3.380 20 0 FGADRP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NCCCCC[NH+]1CCCCC1 ZINC000476735729 502575915 /nfs/dbraw/zinc/57/59/15/502575915.db2.gz IZMLOUDODLGIJZ-HSALFYBXSA-N 2 0 366.594 3.308 20 0 FGADRP c1cc2nccc(NCCC[NH+]3CCN(c4cc[nH+]cc4)CC3)c2s1 ZINC000462794620 502577446 /nfs/dbraw/zinc/57/74/46/502577446.db2.gz ZTMNBYKMBMPJOY-UHFFFAOYSA-N 2 0 353.495 3.316 20 0 FGADRP CC[NH+](CC)CC1CC[NH+](CC2CCN(C(=O)C(C)(C)C)CC2)CC1 ZINC000480501867 502585673 /nfs/dbraw/zinc/58/56/73/502585673.db2.gz PDQZVKIAULUZCB-UHFFFAOYSA-N 2 0 351.579 3.325 20 0 FGADRP CC[NH+](CC)CCOc1ccc(-c2noc([C@H]3C[N@H+](C)C[C@H]3C)n2)cc1 ZINC000462822927 502587977 /nfs/dbraw/zinc/58/79/77/502587977.db2.gz XXMPVCPMUJVMNR-QAPCUYQASA-N 2 0 358.486 3.122 20 0 FGADRP O[C@]1(CN[C@@H]2CCCOc3ccc(F)cc32)CC[N@H+](Cc2ccccc2)C1 ZINC000484161111 502588971 /nfs/dbraw/zinc/58/89/71/502588971.db2.gz MOWJMUNTJYNWPC-IRLDBZIGSA-N 2 0 370.468 3.266 20 0 FGADRP COc1ccc2oc([C@@H](C)[NH2+]C3CCN(CC[NH+](C)C)CC3)c(C)c2c1 ZINC000480532858 502593834 /nfs/dbraw/zinc/59/38/34/502593834.db2.gz ALZWXAPHGVYZGH-MRXNPFEDSA-N 2 0 359.514 3.426 20 0 FGADRP Cc1ncc(CNc2cccc(C[N@@H+]3CC[C@@H](O)C3)c2)n1-c1ccccc1 ZINC000462879166 502610602 /nfs/dbraw/zinc/61/06/02/502610602.db2.gz WHYMGCBXPJCRSZ-JOCHJYFZSA-N 2 0 362.477 3.359 20 0 FGADRP C[C@@H](CC(C)(C)c1c[nH]c2ccccc21)[NH2+]CCCN1CC[NH+](C)CC1 ZINC000462882167 502612190 /nfs/dbraw/zinc/61/21/90/502612190.db2.gz RNFFYUDHQTYQFD-SFHVURJKSA-N 2 0 356.558 3.451 20 0 FGADRP CC(C)(C)NC(=O)C[NH+]1CCC(C[NH2+][C@@H]2CCc3c2cccc3F)CC1 ZINC000484290459 502615927 /nfs/dbraw/zinc/61/59/27/502615927.db2.gz DKDKMIPTJOVQNW-LJQANCHMSA-N 2 0 361.505 3.029 20 0 FGADRP CCC[N@H+](Cc1cc(Br)c2c(c1)OCCO2)C1CC[NH2+]CC1 ZINC000470002922 502626715 /nfs/dbraw/zinc/62/67/15/502626715.db2.gz IMMMPIPBHMPINW-UHFFFAOYSA-N 2 0 369.303 3.184 20 0 FGADRP COC1(C[NH2+]CCCN2CC[N@H+](C)C[C@H]2c2ccccc2)CCCCC1 ZINC000480645644 502631812 /nfs/dbraw/zinc/63/18/12/502631812.db2.gz SBWHIPFTLZGPHL-NRFANRHFSA-N 2 0 359.558 3.304 20 0 FGADRP COc1cc(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)c(SC)cc1OC ZINC000470018047 502632825 /nfs/dbraw/zinc/63/28/25/502632825.db2.gz MNPXTCNLLNBOTM-MRXNPFEDSA-N 2 0 350.528 3.390 20 0 FGADRP C[C@H](CNC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C)C[NH+]1CCCCC1 ZINC000484374614 502634248 /nfs/dbraw/zinc/63/42/48/502634248.db2.gz REWGAKFWLLUJOT-SBHAEUEKSA-N 2 0 372.557 3.071 20 0 FGADRP C[C@@H](NC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)c1ccccc1Cl ZINC000488256303 502671027 /nfs/dbraw/zinc/67/10/27/502671027.db2.gz YKHIDZGKYVHKRY-MRXNPFEDSA-N 2 0 368.953 3.316 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cccc(Cn3ccnc3)c2)[C@@H](C)C1 ZINC000480802406 502675117 /nfs/dbraw/zinc/67/51/17/502675117.db2.gz JALXNBKARLUSJU-UGKGYDQZSA-N 2 0 370.541 3.158 20 0 FGADRP CC[C@H](C)[NH2+][C@H](CNC(=O)N[C@@H](C)C[N@@H+]1CCC[C@H](C)C1)c1ccco1 ZINC000484613977 502682754 /nfs/dbraw/zinc/68/27/54/502682754.db2.gz CEMQYOAQUMDBAQ-XLAORIBOSA-N 2 0 364.534 3.128 20 0 FGADRP CC[C@H](C)[NH2+][C@H](CNC(=O)N[C@@H](C)C[N@@H+]1CCC[C@@H](C)C1)c1ccco1 ZINC000484613974 502682886 /nfs/dbraw/zinc/68/28/86/502682886.db2.gz CEMQYOAQUMDBAQ-VSZNYVQBSA-N 2 0 364.534 3.128 20 0 FGADRP C[C@H]1CCCC[N@@H+]1CCC(=O)Nc1ccccc1NC1CC[NH+](C)CC1 ZINC000582620052 506328681 /nfs/dbraw/zinc/32/86/81/506328681.db2.gz YZGINQQOHMKFEV-KRWDZBQOSA-N 2 0 358.530 3.396 20 0 FGADRP CC[C@@H](CNC(=O)CC[C@@H]1CCCC[N@@H+]1C)[NH+]1CCc2ccccc2C1 ZINC000480920728 502705230 /nfs/dbraw/zinc/70/52/30/502705230.db2.gz KHXCHEYTWZDMRQ-SFTDATJTSA-N 2 0 357.542 3.204 20 0 FGADRP C[C@H](C(=O)Nc1cccc(C(F)(F)F)c1)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000480933730 502708302 /nfs/dbraw/zinc/70/83/02/502708302.db2.gz APABUQMCIOJSDP-CYBMUJFWSA-N 2 0 357.420 3.306 20 0 FGADRP CC[NH+](CC)CCCNC(=O)NC1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC000473873881 502734369 /nfs/dbraw/zinc/73/43/69/502734369.db2.gz HMZSKHWGRIZWFP-RTBURBONSA-N 2 0 374.573 3.174 20 0 FGADRP C[C@@H](Oc1ccc(Cl)cc1Cl)[C@H](C)[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000481035413 502735080 /nfs/dbraw/zinc/73/50/80/502735080.db2.gz LAOXFEKTMFKPNU-GZBFAFLISA-N 2 0 361.313 3.196 20 0 FGADRP C[C@H](CNC(=O)N1CCC([NH+]2CCCCC2)CC1)[N@H+](C)Cc1ccccc1 ZINC000477356560 502751849 /nfs/dbraw/zinc/75/18/49/502751849.db2.gz BQSBGLJDNSJDAX-LJQANCHMSA-N 2 0 372.557 3.167 20 0 FGADRP C[C@@H](C(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000463331668 502760871 /nfs/dbraw/zinc/76/08/71/502760871.db2.gz ZUILGXTZBQIZER-ZNMIVQPWSA-N 2 0 367.921 3.480 20 0 FGADRP CCN(C(=O)NC[C@H](C)[NH+](C)C1CC1)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000473957593 502761985 /nfs/dbraw/zinc/76/19/85/502761985.db2.gz HOHHGFXCXFXHQB-WAOWUJCRSA-N 2 0 372.557 3.336 20 0 FGADRP CCCC[N@H+](C)CCNC(=O)NC1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000473959355 502763161 /nfs/dbraw/zinc/76/31/61/502763161.db2.gz XOYGZWXXXIRTAH-OALUTQOASA-N 2 0 374.573 3.174 20 0 FGADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H](O)COCc1ccccc1 ZINC000481169747 502772051 /nfs/dbraw/zinc/77/20/51/502772051.db2.gz FOADEBGHVLUSRG-AJSBUHFISA-N 2 0 368.521 3.064 20 0 FGADRP COc1ccc(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)cc1Cl ZINC000488666262 502776890 /nfs/dbraw/zinc/77/68/90/502776890.db2.gz BFYCZXLLKHOFJC-UHFFFAOYSA-N 2 0 352.906 3.283 20 0 FGADRP C[C@H](NC(=O)NCC[N@@H+]1CCCC[C@H]1C)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000484974573 502791253 /nfs/dbraw/zinc/79/12/53/502791253.db2.gz SNJIQAINPFGLSB-DYXWJJEUSA-N 2 0 372.557 3.071 20 0 FGADRP OC[C@@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+][C@@H]1CCCC[C@H]1[C@@H]1CCOC1 ZINC000474081844 502802621 /nfs/dbraw/zinc/80/26/21/502802621.db2.gz OAOXBFWARLVRMJ-WZYRSQIMSA-N 2 0 372.553 3.328 20 0 FGADRP CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc(C[NH+](CC)C2CC2)cc1 ZINC000489058967 502871008 /nfs/dbraw/zinc/87/10/08/502871008.db2.gz GQEMEGMTDHIZHA-PZJWPPBQSA-N 2 0 355.526 3.370 20 0 FGADRP Cc1nc2ccccc2n1CC(=O)N[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000513383292 502920284 /nfs/dbraw/zinc/92/02/84/502920284.db2.gz PCANVAMAUSTZTE-VQIMIIECSA-N 2 0 362.477 3.296 20 0 FGADRP CC(C)Cc1ccc([C@H](CNC(=O)N2CC[C@H](C[NH+](C)C)C2)[NH+](C)C)cc1 ZINC000513384219 502921108 /nfs/dbraw/zinc/92/11/08/502921108.db2.gz NNOGJNBWZDMICE-CTNGQTDRSA-N 2 0 374.573 3.081 20 0 FGADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)NCCCC[NH+]1CCC[C@H](C)C1 ZINC000501049074 502922177 /nfs/dbraw/zinc/92/21/77/502922177.db2.gz SNYHABJVRWEEKG-RBUKOAKNSA-N 2 0 352.567 3.062 20 0 FGADRP CC[C@H]1CCCCN1C(=O)[C@H](C)[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501066125 502926400 /nfs/dbraw/zinc/92/64/00/502926400.db2.gz CTPIUSXMLAMSBN-ICSRJNTNSA-N 2 0 372.557 3.409 20 0 FGADRP C[C@@H](C(=O)N(C)C1CCCCC1)[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501075218 502929454 /nfs/dbraw/zinc/92/94/54/502929454.db2.gz DPTBTYVHBUTKSS-SFHVURJKSA-N 2 0 372.557 3.409 20 0 FGADRP C[C@H](C(=O)N(C)C1CCCCC1)[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501075216 502929957 /nfs/dbraw/zinc/92/99/57/502929957.db2.gz DPTBTYVHBUTKSS-GOSISDBHSA-N 2 0 372.557 3.409 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)NCC[N@@H+]1CCCC[C@@H]1C)c1ccsc1 ZINC000501161800 502951783 /nfs/dbraw/zinc/95/17/83/502951783.db2.gz GNSYWPOGJTXGSL-WMZOPIPTSA-N 2 0 366.575 3.305 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N[C@H](C)C[NH+]1CCCCC1)c1ccsc1 ZINC000501165835 502952148 /nfs/dbraw/zinc/95/21/48/502952148.db2.gz WEYHTUURCLHXLW-SJLPKXTDSA-N 2 0 366.575 3.305 20 0 FGADRP C[C@@H]1C[C@H](CC[NH2+]Cc2cc(C(N)=O)cs2)C[N@@H+]1Cc1ccccc1 ZINC000513500019 502954300 /nfs/dbraw/zinc/95/43/00/502954300.db2.gz KKIBCKSVZKVCOA-WBVHZDCISA-N 2 0 357.523 3.237 20 0 FGADRP COC(=O)c1cc(C[NH2+]CC[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)c[nH]1 ZINC000513508353 502955431 /nfs/dbraw/zinc/95/54/31/502955431.db2.gz YAJLGJFDCUNKEV-SJLPKXTDSA-N 2 0 355.482 3.192 20 0 FGADRP C[C@H]1C[C@H](CC[NH2+]Cc2cccc(C(N)=O)c2)C[N@@H+]1Cc1ccccc1 ZINC000513544626 502963029 /nfs/dbraw/zinc/96/30/29/502963029.db2.gz KNMGKBPJEDGSEU-PXNSSMCTSA-N 2 0 351.494 3.176 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cc(Cl)ccc1C ZINC000509683320 502966323 /nfs/dbraw/zinc/96/63/23/502966323.db2.gz ZMNWVOYZMJHSJM-KRWDZBQOSA-N 2 0 351.922 3.137 20 0 FGADRP CC(C)[C@H](C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)[NH+]1CCCCC1 ZINC000513571724 502968657 /nfs/dbraw/zinc/96/86/57/502968657.db2.gz GPZYYZKFYJMSLF-LEWJYISDSA-N 2 0 357.542 3.278 20 0 FGADRP CC[N@H+](CCNC(=O)NCC[C@@H]1C[C@H](C)[NH+](Cc2ccccc2)C1)C(C)C ZINC000509710548 502973615 /nfs/dbraw/zinc/97/36/15/502973615.db2.gz FINFHZIXKMGYJR-PZJWPPBQSA-N 2 0 374.573 3.317 20 0 FGADRP CC(C)CN(CC[NH+](C)C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000489516731 502976225 /nfs/dbraw/zinc/97/62/25/502976225.db2.gz TZAYOUXNGGUKQX-TZIWHRDSSA-N 2 0 374.573 3.126 20 0 FGADRP C[C@H](NC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)[C@@H](c1ccccc1)[NH+](C)C ZINC000497555790 502986384 /nfs/dbraw/zinc/98/63/84/502986384.db2.gz DJLFHFFMCFFHSY-WDSOQIARSA-N 2 0 362.562 3.343 20 0 FGADRP C[C@H](NC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)[C@H](c1ccccc1)[NH+](C)C ZINC000497555788 502986719 /nfs/dbraw/zinc/98/67/19/502986719.db2.gz DJLFHFFMCFFHSY-QXAKKESOSA-N 2 0 362.562 3.343 20 0 FGADRP CC[C@H](C)[N@H+](C)CCNC(=O)NCC[C@H]1C[C@H](C)[NH+](Cc2ccccc2)C1 ZINC000509805160 502988968 /nfs/dbraw/zinc/98/89/68/502988968.db2.gz NISHQWZWEJNGEW-ZJOUEHCJSA-N 2 0 374.573 3.317 20 0 FGADRP CCc1nc(CC[NH2+][C@@H]2CCCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)no1 ZINC000513655144 502991862 /nfs/dbraw/zinc/99/18/62/502991862.db2.gz LKWUJWDCUDYCKY-SLFFLAALSA-N 2 0 368.525 3.455 20 0 FGADRP Cn1cc(C(F)(F)F)nc1[C@H]1CCC[N@H+](CC[C@@H]2CCCC[NH+]2C)C1 ZINC000489684231 503010698 /nfs/dbraw/zinc/01/06/98/503010698.db2.gz MCWGESPGGYWMOG-GJZGRUSLSA-N 2 0 358.452 3.493 20 0 FGADRP C/C(=C/c1ccccc1C(F)(F)F)C[NH2+]CCCN1CC[NH+](C)CC1 ZINC000501473480 503016079 /nfs/dbraw/zinc/01/60/79/503016079.db2.gz NYENTWBYZDDFKA-PEZBUJJGSA-N 2 0 355.448 3.336 20 0 FGADRP COc1ccc([C@H](CN[C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)[NH+]2CCCC2)cc1 ZINC000513760206 503018048 /nfs/dbraw/zinc/01/80/48/503018048.db2.gz ILWAKTFCJHZHDB-YSFYHYPLSA-N 2 0 357.542 3.295 20 0 FGADRP c1cc2n(n1)C[C@@H](C[NH2+]Cc1ccccc1C[NH+]1CCCCCC1)CN2 ZINC000602908965 506347902 /nfs/dbraw/zinc/34/79/02/506347902.db2.gz JZSQWAJKWPYUGU-SFHVURJKSA-N 2 0 353.514 3.091 20 0 FGADRP O[C@H](C[NH+]1CC[C@@H](c2ccccc2)C1)C[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC000497767093 503036467 /nfs/dbraw/zinc/03/64/67/503036467.db2.gz IGZKTWURAJRCKY-NUNAXRQHSA-N 2 0 350.506 3.326 20 0 FGADRP C[NH+](C)C1(CNC(=O)N2CCC(CCC[NH+]3CCCC3)CC2)CCCC1 ZINC000506157135 503059357 /nfs/dbraw/zinc/05/93/57/503059357.db2.gz FGPUPFNAPZBYMW-UHFFFAOYSA-N 2 0 364.578 3.158 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)NC[C@H](c2cccs2)[NH+](C)C)C1 ZINC000501713886 503065754 /nfs/dbraw/zinc/06/57/54/503065754.db2.gz DSKBZMSJBNTNDD-IXDOHACOSA-N 2 0 366.575 3.018 20 0 FGADRP C[C@H](NC(=O)[C@H](C)[N@H+]1[C@H](C)CC[C@@H]1C)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000497965938 503075876 /nfs/dbraw/zinc/07/58/76/503075876.db2.gz WHNHRTVTZRHJKH-RVDAZCDBSA-N 2 0 357.542 3.275 20 0 FGADRP CCN(C)[C@H](C(=O)NC[C@H](C)[N@@H+]1CCc2ccccc2C1)c1ccccc1 ZINC000489979043 503080791 /nfs/dbraw/zinc/08/07/91/503080791.db2.gz GPSGTEMBCCDBBM-AVRDEDQJSA-N 2 0 365.521 3.242 20 0 FGADRP CC1(C)CCC(CC(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000501807793 503083675 /nfs/dbraw/zinc/08/36/75/503083675.db2.gz VJQDHXJDFMXLSG-UHFFFAOYSA-N 2 0 372.557 3.316 20 0 FGADRP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NCCCC[NH+]1CCC[C@@H](C)C1 ZINC000514122756 503093496 /nfs/dbraw/zinc/09/34/96/503093496.db2.gz NRJWLGBBIKMABX-YSTOQKLRSA-N 2 0 366.594 3.164 20 0 FGADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)NCC(C)(C)[NH+]2CCC[C@H](C)C2)C1 ZINC000514122698 503093827 /nfs/dbraw/zinc/09/38/27/503093827.db2.gz NANVGXGAGAEWGS-MOPGFXCFSA-N 2 0 366.594 3.308 20 0 FGADRP C[C@@H](CC[NH+](C)C)NC(=O)NC[C@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000514202304 503111596 /nfs/dbraw/zinc/11/15/96/503111596.db2.gz VOHIECDSZYSVRJ-DLBZAZTESA-N 2 0 366.575 3.161 20 0 FGADRP C[C@H](NC(=O)NCCC[NH+]1CCCCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000498128755 503112667 /nfs/dbraw/zinc/11/26/67/503112667.db2.gz WHTPSLAJZYVFQB-FPOVZHCZSA-N 2 0 372.557 3.072 20 0 FGADRP CSc1ccc(Cl)c(C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)c1 ZINC000490163037 503120525 /nfs/dbraw/zinc/12/05/25/503120525.db2.gz ZFCGZVNSNPDSLY-UHFFFAOYSA-N 2 0 371.978 3.408 20 0 FGADRP CC[N@@H+]1C[C@H](C)N(C(=O)NCc2ccccc2C[NH+](C)C(C)C)C[C@H]1C ZINC000498231650 503137825 /nfs/dbraw/zinc/13/78/25/503137825.db2.gz NWUXKKUAFJSMJJ-MSOLQXFVSA-N 2 0 360.546 3.151 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)N[C@@H](C)C1=CC[N@H+](C)CC1)c1ccccc1 ZINC000510542726 503138747 /nfs/dbraw/zinc/13/87/47/503138747.db2.gz BOQJHFOLICKPHS-PXNSSMCTSA-N 2 0 358.530 3.019 20 0 FGADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1[nH]c2ccccc2c1Cl ZINC000498330882 503159567 /nfs/dbraw/zinc/15/95/67/503159567.db2.gz WVHMYSJPOHXFKI-UHFFFAOYSA-N 2 0 364.921 3.167 20 0 FGADRP Cc1cc(OCCC[C@@H](C)[NH2+]CCCN2CC[NH+](C)CC2)ccc1Cl ZINC000510673191 503169725 /nfs/dbraw/zinc/16/97/25/503169725.db2.gz ZPIAOKNPAHPPTA-GOSISDBHSA-N 2 0 367.965 3.423 20 0 FGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@@H](C)CCc2c(F)cccc2F)CC1 ZINC000510721878 503178569 /nfs/dbraw/zinc/17/85/69/503178569.db2.gz OHPOMPJJJFJEDL-IRXDYDNUSA-N 2 0 353.501 3.149 20 0 FGADRP C[C@@H](C(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1F)[NH+]1CCCCCC1 ZINC000510726978 503180117 /nfs/dbraw/zinc/18/01/17/503180117.db2.gz IXKHDPRLYWGDGE-INIZCTEOSA-N 2 0 367.484 3.120 20 0 FGADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@@H]1C[C@@H]1c1ccccc1Cl ZINC000502574234 503229758 /nfs/dbraw/zinc/22/97/58/503229758.db2.gz YXSWETZYDPKOKP-QZTJIDSGSA-N 2 0 365.949 3.176 20 0 FGADRP Cc1nn(-c2ccc(Br)cc2)c(C)c1C[NH2+][C@H](C)C[C@H](C)[NH3+] ZINC000514937940 503231517 /nfs/dbraw/zinc/23/15/17/503231517.db2.gz JFSRBBDBBCEYIR-NWDGAFQWSA-N 2 0 365.319 3.467 20 0 FGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[NH+](CCCc2ccccc2)CC1 ZINC000507138211 503237909 /nfs/dbraw/zinc/23/79/09/503237909.db2.gz IMLNZKRYEANISL-NRFANRHFSA-N 2 0 357.542 3.028 20 0 FGADRP CC(C)([NH3+])c1nocc1C(=O)Nc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000582676177 506360694 /nfs/dbraw/zinc/36/06/94/506360694.db2.gz DRYDXWHJBRKIPQ-UHFFFAOYSA-N 2 0 356.470 3.497 20 0 FGADRP CC[N@@H+]1CCC[C@@H](CNC(=O)NCC(C)(C)[NH2+][C@@H](C)c2ccccc2)C1 ZINC000507415086 503296162 /nfs/dbraw/zinc/29/61/62/503296162.db2.gz SMSPNYCBJGGRBG-ROUUACIJSA-N 2 0 360.546 3.147 20 0 FGADRP CCc1ccc([C@H](CNC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)[NH+](C)C)cc1 ZINC000515291179 503308160 /nfs/dbraw/zinc/30/81/60/503308160.db2.gz CRRSPNOXYHWFAT-IBGZPJMESA-N 2 0 374.573 3.460 20 0 FGADRP C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N2CC[NH+](C)CC[C@H]2C)C1 ZINC000502941981 503312016 /nfs/dbraw/zinc/31/20/16/503312016.db2.gz SLOSNYVGASIVLN-RTBURBONSA-N 2 0 372.557 3.154 20 0 FGADRP CCCN(CC[NH+]1CCCCC1)C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000499116841 503338702 /nfs/dbraw/zinc/33/87/02/503338702.db2.gz LEPCPXZRWXFNNT-UHFFFAOYSA-N 2 0 364.578 3.301 20 0 FGADRP CC(C)[C@@H]1CCC[N@@H+]1CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000507664326 503342710 /nfs/dbraw/zinc/34/27/10/503342710.db2.gz LZVDRLUYMWHDTP-IBGZPJMESA-N 2 0 361.555 3.294 20 0 FGADRP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCCC[C@H]2Cc2ccccc2)CC1 ZINC000511631649 503358654 /nfs/dbraw/zinc/35/86/54/503358654.db2.gz VOFGEZSRHQGDGA-NRFANRHFSA-N 2 0 357.542 3.073 20 0 FGADRP c1nc([C@@H]2CCC[N@@H+](CCOCCOc3ccccc3)C2)n2c1CCCC2 ZINC000503374696 503396990 /nfs/dbraw/zinc/39/69/90/503396990.db2.gz GXBYTGKJBJZZHO-LJQANCHMSA-N 2 0 369.509 3.494 20 0 FGADRP CN(CCN1CC[NH+](Cc2ccccc2)CC1)Cc1csc(C2CC2)n1 ZINC000511855416 503400999 /nfs/dbraw/zinc/40/09/99/503400999.db2.gz OEZCOSFYUKUHMR-UHFFFAOYSA-N 2 0 370.566 3.270 20 0 FGADRP C[C@@H]1CCC[C@H](C[NH2+]Cc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)C1 ZINC000507948905 503402244 /nfs/dbraw/zinc/40/22/44/503402244.db2.gz DYDRIHFUHCTMDD-LVCYWYKZSA-N 2 0 357.542 3.300 20 0 FGADRP CC(C)Cc1ccc([C@H](CNC(=O)NCC2CC[NH+](C)CC2)[NH+](C)C)cc1 ZINC000493807897 503447100 /nfs/dbraw/zinc/44/71/00/503447100.db2.gz IVDYCCSGWDLVMS-NRFANRHFSA-N 2 0 374.573 3.129 20 0 FGADRP CC(C)(C)[NH+]1CCC([NH2+]C[C@@H](O)COc2cccc3ccccc32)CC1 ZINC000516129572 503452398 /nfs/dbraw/zinc/45/23/98/503452398.db2.gz OXNUQRIUQDJMJC-LJQANCHMSA-N 2 0 356.510 3.432 20 0 FGADRP CC[NH+]1CCN(CCC[NH2+][C@H](C)c2cc(C)c(Br)s2)CC1 ZINC000512086746 503453932 /nfs/dbraw/zinc/45/39/32/503453932.db2.gz FZLIYBZXXKDELB-CQSZACIVSA-N 2 0 374.392 3.497 20 0 FGADRP CCC(CC)(CNC(=O)N1CCC[N@H+](C)CC1)[NH2+][C@H](C)c1ccccc1 ZINC000503795765 503472638 /nfs/dbraw/zinc/47/26/38/503472638.db2.gz SRASMCPQXONUSH-GOSISDBHSA-N 2 0 360.546 3.243 20 0 FGADRP Cn1cnnc1C[N@@H+]1CCCCC[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000516254638 503483039 /nfs/dbraw/zinc/48/30/39/503483039.db2.gz XNTQFRPHTWZHGT-NRFANRHFSA-N 2 0 367.541 3.472 20 0 FGADRP Cc1ccc([C@H](CNC(=O)NCC2(C)CC[NH+](C)CC2)[NH+]2CCCC2)cc1 ZINC000508544910 503517410 /nfs/dbraw/zinc/51/74/10/503517410.db2.gz DFXMBFFDWVHXJQ-FQEVSTJZSA-N 2 0 372.557 3.163 20 0 FGADRP Cc1nc2ccc(C[NH2+]Cc3cccnc3N3CC[NH+](C)CC3)cc2s1 ZINC000494306745 503523049 /nfs/dbraw/zinc/52/30/49/503523049.db2.gz DMRGFWXZUQYJHX-UHFFFAOYSA-N 2 0 367.522 3.041 20 0 FGADRP COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)N(C)CCC[NH+]1CCCC1 ZINC000499966093 503523379 /nfs/dbraw/zinc/52/33/79/503523379.db2.gz QTOPBXSILFKDQZ-OAHLLOKOSA-N 2 0 367.921 3.402 20 0 FGADRP C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)N(CC[NH+](C)C)Cc1ccccc1 ZINC000504177284 503534806 /nfs/dbraw/zinc/53/48/06/503534806.db2.gz PSXJUWANVXAJRJ-VAMGGRTRSA-N 2 0 374.573 3.126 20 0 FGADRP C[C@H](NC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1)[C@H](c1ccccc1)[NH+](C)C ZINC000508867941 503582156 /nfs/dbraw/zinc/58/21/56/503582156.db2.gz UNRFSJZYFNXBCV-CEWLAPEOSA-N 2 0 372.557 3.338 20 0 FGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC[C@H]1C[C@@H](C)[NH+](Cc2ccccc2)C1 ZINC000512578761 503588218 /nfs/dbraw/zinc/58/82/18/503588218.db2.gz RYUAGXGJRYBKOP-HLAWJBBLSA-N 2 0 357.542 3.278 20 0 FGADRP Cc1ccccc1[C@@H]([C@@H](C)NC(=O)NCC1(C)CC[NH+](C)CC1)[NH+](C)C ZINC000508891137 503590596 /nfs/dbraw/zinc/59/05/96/503590596.db2.gz ARUIOSUCCZJVOE-IEBWSBKVSA-N 2 0 360.546 3.017 20 0 FGADRP Cc1ccccc1[C@@H]([C@@H](C)NC(=O)N1CCC([NH+]2CCCC2)CC1)[NH+](C)C ZINC000508926898 503602372 /nfs/dbraw/zinc/60/23/72/503602372.db2.gz WMAITRORPNEQMI-WIYYLYMNSA-N 2 0 372.557 3.256 20 0 FGADRP COc1ccc(Oc2ccc(C[NH2+]C[C@H](C)N3CC[NH+](C)CC3)cc2)cc1 ZINC000543171551 503658017 /nfs/dbraw/zinc/65/80/17/503658017.db2.gz GNLLCYUGYZIPAD-SFHVURJKSA-N 2 0 369.509 3.213 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCc2nc3c(s2)CCCC3)[C@H](C)C1 ZINC000540154353 503691239 /nfs/dbraw/zinc/69/12/39/503691239.db2.gz RDPLHFSFNXVMQL-SJORKVTESA-N 2 0 365.587 3.291 20 0 FGADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@@H](C)c1ccc([S@](C)=O)cc1 ZINC000543242078 503695162 /nfs/dbraw/zinc/69/51/62/503695162.db2.gz YTPGDAGTCNDXSL-SXBQZSJRSA-N 2 0 354.479 3.164 20 0 FGADRP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@@H+]([C@H](C)C2CC2)C2CC2)CC1 ZINC000517323806 503714985 /nfs/dbraw/zinc/71/49/85/503714985.db2.gz CHHHUWSHGKBIJT-LJQANCHMSA-N 2 0 369.553 3.292 20 0 FGADRP CCC[N@H+](C)CC(=O)NCc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000517348743 503722504 /nfs/dbraw/zinc/72/25/04/503722504.db2.gz OCLUESPSQJIBER-UHFFFAOYSA-N 2 0 353.510 3.373 20 0 FGADRP Cc1nc2ccc(C(=O)NCc3ccc(C[NH+]4CCCC4)cc3)cc2n1C ZINC000527219753 503724908 /nfs/dbraw/zinc/72/49/08/503724908.db2.gz CVJLHSDNRQMHRY-UHFFFAOYSA-N 2 0 362.477 3.408 20 0 FGADRP C=Cn1cc(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)cn1 ZINC000517382326 503730807 /nfs/dbraw/zinc/73/08/07/503730807.db2.gz WBELLXJNYUNMRG-NRFANRHFSA-N 2 0 366.509 3.002 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C2CCC(c3nc(C)no3)CC2)[C@@H](C)C1 ZINC000536845940 503738587 /nfs/dbraw/zinc/73/85/87/503738587.db2.gz NGVFMQGZKOSZFR-RXQRSOPUSA-N 2 0 364.534 3.131 20 0 FGADRP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000517411255 503739015 /nfs/dbraw/zinc/73/90/15/503739015.db2.gz YKKCVFOBPNJZPG-QZTJIDSGSA-N 2 0 352.567 3.203 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N1CC[C@@H]([NH+]2CCCCC2)C1)CC(C)C ZINC000517419801 503741517 /nfs/dbraw/zinc/74/15/17/503741517.db2.gz DOJBMESYEPZTQO-MOPGFXCFSA-N 2 0 352.567 3.013 20 0 FGADRP C[C@H]([NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1ccc(-n2cccn2)cc1 ZINC000536865570 503743669 /nfs/dbraw/zinc/74/36/69/503743669.db2.gz YPRFCVRCBVBDBJ-QRVBRYPASA-N 2 0 356.514 3.412 20 0 FGADRP C[C@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)c1cc2c(s1)CCC2 ZINC000536861666 503743677 /nfs/dbraw/zinc/74/36/77/503743677.db2.gz FMHGKRLYNUKRAW-HNNXBMFYSA-N 2 0 371.550 3.379 20 0 FGADRP CCCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](Cc2cn(-c3cc[nH+]cc3)nc2C)C1 ZINC000543394710 503751424 /nfs/dbraw/zinc/75/14/24/503751424.db2.gz ZGVXNBXORVPWPG-SJLPKXTDSA-N 2 0 369.513 3.093 20 0 FGADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+](C)[C@H](C)c1ccc(-n2cncn2)cc1 ZINC000543395289 503752240 /nfs/dbraw/zinc/75/22/40/503752240.db2.gz XUYCXBDCMOWRQY-QGZVFWFLSA-N 2 0 373.464 3.349 20 0 FGADRP Cc1cc([C@H]([NH2+]CCN2CCC([NH+](C)C)CC2)c2cccnc2)ccc1F ZINC000543401374 503755347 /nfs/dbraw/zinc/75/53/47/503755347.db2.gz UCJJFXJCQPCGFB-QFIPXVFZSA-N 2 0 370.516 3.234 20 0 FGADRP C[C@@H]([NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1)C1CCCCCC1 ZINC000543403506 503756517 /nfs/dbraw/zinc/75/65/17/503756517.db2.gz UOCTYZIBRFOLQD-LJQANCHMSA-N 2 0 359.562 3.327 20 0 FGADRP C[C@H]([NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1)C1CCCCCC1 ZINC000543403501 503756795 /nfs/dbraw/zinc/75/67/95/503756795.db2.gz UOCTYZIBRFOLQD-IBGZPJMESA-N 2 0 359.562 3.327 20 0 FGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]CCc2c(C)noc2C)CC1 ZINC000540407082 503761716 /nfs/dbraw/zinc/76/17/16/503761716.db2.gz HXCGRZMUKQIJRN-HNNXBMFYSA-N 2 0 374.504 3.466 20 0 FGADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)NC[C@@H](c1ccccc1OC)[NH+]1CCCC1 ZINC000543417293 503762269 /nfs/dbraw/zinc/76/22/69/503762269.db2.gz RKLPAZRHJNGERY-WMZOPIPTSA-N 2 0 361.530 3.115 20 0 FGADRP CCC(C)(C)[NH2+][C@H](C)C(=O)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000543432210 503767892 /nfs/dbraw/zinc/76/78/92/503767892.db2.gz HRZWWWNXYQUMLJ-LJQANCHMSA-N 2 0 359.558 3.320 20 0 FGADRP C[C@H](C(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000517693357 503808727 /nfs/dbraw/zinc/80/87/27/503808727.db2.gz PNNRHVCIOIFCHN-GCJKJVERSA-N 2 0 369.553 3.025 20 0 FGADRP CC(C)c1nc2c([nH]1)C[C@@H](C(=O)N1CCC(C[N@@H+](C)C(C)C)CC1)CC2 ZINC000527528360 503826833 /nfs/dbraw/zinc/82/68/33/503826833.db2.gz DBHBUGCZRUJSNE-KRWDZBQOSA-N 2 0 360.546 3.217 20 0 FGADRP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)N2CCC[C@H]2C[NH+]2CCCC2)C1 ZINC000517916864 503867481 /nfs/dbraw/zinc/86/74/81/503867481.db2.gz MXVNEXRVTHZNPW-AQNXPRMDSA-N 2 0 364.578 3.014 20 0 FGADRP C[NH+](C)CC1(CNC(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)CCCC1 ZINC000546768051 503872750 /nfs/dbraw/zinc/87/27/50/503872750.db2.gz LPGZUAVNFQPMPC-FQEVSTJZSA-N 2 0 357.542 3.137 20 0 FGADRP C[C@@H]([NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1)[C@@H]1C[C@H]1C1CC1 ZINC000527661641 503883076 /nfs/dbraw/zinc/88/30/76/503883076.db2.gz KTIFUQMSKSYXMF-CZAAIQMYSA-N 2 0 355.526 3.036 20 0 FGADRP Clc1ccc(OCCC[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000530240370 503889340 /nfs/dbraw/zinc/88/93/40/503889340.db2.gz LEHIQZKBUBVOOP-LJQANCHMSA-N 2 0 352.906 3.199 20 0 FGADRP CCC[N@H+](C)CC(=O)NC[C@H](c1ccccc1)N1CCc2sccc2C1 ZINC000518052040 503898583 /nfs/dbraw/zinc/89/85/83/503898583.db2.gz YYEMIWFKTOGODF-LJQANCHMSA-N 2 0 371.550 3.306 20 0 FGADRP Cc1cccc(CN(CC[NH+](C)C)C(=O)NCC2(C[NH+](C)C)CCCC2)c1 ZINC000546861201 503905519 /nfs/dbraw/zinc/90/55/19/503905519.db2.gz DJWSFHHORAGHHG-UHFFFAOYSA-N 2 0 374.573 3.190 20 0 FGADRP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)[C@@]12CCCO2 ZINC000546870286 503909769 /nfs/dbraw/zinc/90/97/69/503909769.db2.gz FGYGTLRJLRUQMZ-PTROGCMSSA-N 2 0 370.537 3.213 20 0 FGADRP Cc1ccc(OC[C@@H](O)C[NH2+]C2CCC([NH+]3CCC(C)CC3)CC2)cc1 ZINC000518171139 503920268 /nfs/dbraw/zinc/92/02/68/503920268.db2.gz RBNWJSAGHYQZFQ-CBNMVNINSA-N 2 0 360.542 3.367 20 0 FGADRP CC[NH+](CC)CCCC1CC[NH+](CC(=O)NCc2ccc(C)cc2)CC1 ZINC000543871028 503923230 /nfs/dbraw/zinc/92/32/30/503923230.db2.gz UWQLEVYCEISWOU-UHFFFAOYSA-N 2 0 359.558 3.445 20 0 FGADRP CCC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000527762837 503932269 /nfs/dbraw/zinc/93/22/69/503932269.db2.gz NMMNIUKFPFBLST-DENIHFKCSA-N 2 0 369.553 3.278 20 0 FGADRP COc1ccccc1/C=C/C[NH2+]CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000518269445 503939771 /nfs/dbraw/zinc/93/97/71/503939771.db2.gz JSOLYPNZQMZFTF-YRNVUSSQSA-N 2 0 365.521 3.116 20 0 FGADRP C[C@@H]([NH2+]CCc1ccc2c(c1)OCO2)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000540962450 503955502 /nfs/dbraw/zinc/95/55/02/503955502.db2.gz XYNLXLSSMVGQLY-XLIONFOSSA-N 2 0 352.478 3.458 20 0 FGADRP CCCCO[C@@H]1C[C@H]([NH2+]Cc2ccccc2C[N@@H+]2CC[C@H](O)C2)C1(C)C ZINC000540988596 503966906 /nfs/dbraw/zinc/96/69/06/503966906.db2.gz NVVPSNVJZIYBGS-PCCBWWKXSA-N 2 0 360.542 3.327 20 0 FGADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)NCCC[NH+]2CCCC[C@H]2C)C1 ZINC000518402357 503974635 /nfs/dbraw/zinc/97/46/35/503974635.db2.gz XNEFNOJZCDVCGM-DYXWJJEUSA-N 2 0 372.557 3.386 20 0 FGADRP C[C@H](NCCC[N@@H+]1CCCO[C@@H](C)C1)c1cc(-c2ccccc2)n(C)n1 ZINC000527892829 503987602 /nfs/dbraw/zinc/98/76/02/503987602.db2.gz BJFGOXRAEJBNMR-ROUUACIJSA-N 2 0 356.514 3.239 20 0 FGADRP C[C@H]([NH2+]C[C@@H](n1cccn1)C(F)(F)F)c1ccc(OCC[NH+](C)C)cc1 ZINC000527939672 504008475 /nfs/dbraw/zinc/00/84/75/504008475.db2.gz PWTAISWGAWISON-WMLDXEAASA-N 2 0 370.419 3.278 20 0 FGADRP CC[NH+](CC)CCCC1CCN(C(=O)NC[C@H]2CC[N@@H+](C(C)C)C2)CC1 ZINC000541120882 504016342 /nfs/dbraw/zinc/01/63/42/504016342.db2.gz RQBQIBNSFHETNM-HXUWFJFHSA-N 2 0 366.594 3.260 20 0 FGADRP O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)[C@@H]1CCCN1Cc1ccc(Cl)cc1 ZINC000527986028 504027998 /nfs/dbraw/zinc/02/79/98/504027998.db2.gz OXHUAKDYIGNTKF-QRVBRYPASA-N 2 0 361.917 3.047 20 0 FGADRP COc1ccc(CC[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cn1 ZINC000527991855 504029112 /nfs/dbraw/zinc/02/91/12/504029112.db2.gz XAMBUWSQAIHMBW-MZADTFQBSA-N 2 0 351.494 3.418 20 0 FGADRP COc1ccc(CC[NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)cn1 ZINC000527991424 504029485 /nfs/dbraw/zinc/02/94/85/504029485.db2.gz VPJIFAULTGSIDA-NJDAHSKKSA-N 2 0 351.494 3.133 20 0 FGADRP C[C@H]([NH2+]CC(C)(C)C(=O)N1CCCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000528016296 504041647 /nfs/dbraw/zinc/04/16/47/504041647.db2.gz RDSLGBSBLQKTTP-AZUAARDMSA-N 2 0 357.542 3.135 20 0 FGADRP CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2CC(C)C)C1 ZINC000528113077 504076196 /nfs/dbraw/zinc/07/61/96/504076196.db2.gz HRHLCVVZRIKRQR-BHDDXSALSA-N 2 0 371.569 3.239 20 0 FGADRP CCO[C@@H]1C[C@H]([NH2+][C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)[C@]12CCCO2 ZINC000547507888 504130735 /nfs/dbraw/zinc/13/07/35/504130735.db2.gz DJWPEVCTUVGVFM-MIUGBVLSSA-N 2 0 358.526 3.213 20 0 FGADRP C[C@H](C1CC1)N(Cc1ccccc1)C(=O)C[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000519156764 504153239 /nfs/dbraw/zinc/15/32/39/504153239.db2.gz LHHRGNKXGKYEDW-STZQEDGTSA-N 2 0 369.553 3.135 20 0 FGADRP C[C@@H](NC(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C)C(C)(C)C[NH+](C)C ZINC000531013142 504162541 /nfs/dbraw/zinc/16/25/41/504162541.db2.gz VTCHGAUKIZNKRD-PBHICJAKSA-N 2 0 368.953 3.218 20 0 FGADRP C[C@@H](C(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000531079974 504182677 /nfs/dbraw/zinc/18/26/77/504182677.db2.gz BNHDXLIFQREOPC-KRXQYRFLSA-N 2 0 351.922 3.320 20 0 FGADRP CC[C@@H]1CCCC[N@@H+]1CC(=O)N1CCC[NH+](Cc2ccccc2C)CC1 ZINC000519286045 504183845 /nfs/dbraw/zinc/18/38/45/504183845.db2.gz SZLLGAMCPYGGGG-OAQYLSRUSA-N 2 0 357.542 3.294 20 0 FGADRP CC(C)[N@H+](C)CC1CC[NH+]([C@H](C)C(=O)N2CCc3sccc3C2)CC1 ZINC000531107755 504192004 /nfs/dbraw/zinc/19/20/04/504192004.db2.gz SXAADNOWFRPGHQ-MRXNPFEDSA-N 2 0 363.571 3.074 20 0 FGADRP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000519358288 504201304 /nfs/dbraw/zinc/20/13/04/504201304.db2.gz UVRFCMQNVGRRNF-KDURUIRLSA-N 2 0 372.557 3.345 20 0 FGADRP COC(=O)c1cc2c(o1)c(OC)ccc2C[NH2+]C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000531142568 504203488 /nfs/dbraw/zinc/20/34/88/504203488.db2.gz PQYQNOOSNCBQPT-HNNXBMFYSA-N 2 0 374.481 3.438 20 0 FGADRP CCC[N@@H+]1CC[C@@H](CNC(=O)N2CC[NH+](Cc3ccccc3)[C@H](CC)C2)C1 ZINC000544681341 504215233 /nfs/dbraw/zinc/21/52/33/504215233.db2.gz XCLXEGDFEKBNKA-LEWJYISDSA-N 2 0 372.557 3.024 20 0 FGADRP CCC[N@@H+]1CC[C@H](CNC(=O)N2CC[NH+](Cc3ccccc3)[C@@H](CC)C2)C1 ZINC000544681343 504215596 /nfs/dbraw/zinc/21/55/96/504215596.db2.gz XCLXEGDFEKBNKA-RTWAWAEBSA-N 2 0 372.557 3.024 20 0 FGADRP C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)Cc1cc(CO)ccc1F ZINC000528431574 504221112 /nfs/dbraw/zinc/22/11/12/504221112.db2.gz NHOYHGVBHRMNEG-UHFFFAOYSA-N 2 0 357.473 3.452 20 0 FGADRP C[C@H](CC[NH+](C)C)NC(=O)NCc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000519452994 504224042 /nfs/dbraw/zinc/22/40/42/504224042.db2.gz RVFFFJJVOSJDSJ-CEXWTWQISA-N 2 0 374.573 3.304 20 0 FGADRP C[NH+](C)CCOc1ccc(CC[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)cc1 ZINC000534798940 504244937 /nfs/dbraw/zinc/24/49/37/504244937.db2.gz XKYIRLZBWDNZIR-PWRODBHTSA-N 2 0 358.526 3.107 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1CCCNC(=O)[C@H]1CCCC[NH+]1Cc1ccccc1 ZINC000531282827 504251504 /nfs/dbraw/zinc/25/15/04/504251504.db2.gz NZEVCKYTRKSPOH-TZIWHRDSSA-N 2 0 357.542 3.422 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cc(C)nc(N3CCCC3)c2)[C@H](C)C1 ZINC000519571454 504257745 /nfs/dbraw/zinc/25/77/45/504257745.db2.gz QNUVHAPCVSKBKD-NQIIRXRSSA-N 2 0 374.573 3.217 20 0 FGADRP C[C@H]1CCC[N@H+](Cc2ccc(C[NH2+][C@H](Cc3ccccc3)C(N)=O)cc2)C1 ZINC000541799264 504258538 /nfs/dbraw/zinc/25/85/38/504258538.db2.gz TYRPQQWCWVWMSW-PGRDOPGGSA-N 2 0 365.521 3.105 20 0 FGADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)N[C@@H](CC1CCC1)c1ccccc1 ZINC000541851004 504275553 /nfs/dbraw/zinc/27/55/53/504275553.db2.gz UROHDDBHDNDDGH-FQEVSTJZSA-N 2 0 360.546 3.053 20 0 FGADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H](O)COc2cccc(C(F)(F)F)c2)C[C@H]1C ZINC000531379065 504284847 /nfs/dbraw/zinc/28/48/47/504284847.db2.gz VFCYVKALKVGNOG-HYVNUMGLSA-N 2 0 374.447 3.250 20 0 FGADRP CC[NH+](CC)CC1CCN(C(=O)[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000519652562 504289903 /nfs/dbraw/zinc/28/99/03/504289903.db2.gz SZHXLWHGDIJWBO-NRFANRHFSA-N 2 0 357.542 3.089 20 0 FGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC2(CC[NH+](Cc3ccccc3)C2)CC1 ZINC000534983028 504302165 /nfs/dbraw/zinc/30/21/65/504302165.db2.gz JHRFLENGWYYLMF-OAQYLSRUSA-N 2 0 369.553 3.376 20 0 FGADRP Cc1c[nH+]ccc1N1CCC(C(=O)N[C@H](C)C[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000531442937 504308523 /nfs/dbraw/zinc/30/85/23/504308523.db2.gz RCUASYGBVDOSFD-ZHALLVOQSA-N 2 0 372.557 3.089 20 0 FGADRP OC[C@@H]1CCC2(CCOCC2)C[N@@H+]1Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000528643059 504309481 /nfs/dbraw/zinc/30/94/81/504309481.db2.gz ZGDNVGNLVKBAAW-QFIPXVFZSA-N 2 0 372.553 3.426 20 0 FGADRP C[C@H](C(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000519751863 504327836 /nfs/dbraw/zinc/32/78/36/504327836.db2.gz XMFSRLSNVFXGEE-GUDVDZBRSA-N 2 0 357.542 3.371 20 0 FGADRP FC(F)(F)COc1ccc(CC[NH2+]C2CC[NH+](CC3CC3)CC2)cn1 ZINC000548159057 504351748 /nfs/dbraw/zinc/35/17/48/504351748.db2.gz JHMGFVMJHPCTEM-UHFFFAOYSA-N 2 0 357.420 3.029 20 0 FGADRP CC[C@@H]1C[C@@H](C)CC[C@@H]1[NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000538759625 504359750 /nfs/dbraw/zinc/35/97/50/504359750.db2.gz LPLUCEGCSCIDFH-ZCNNSNEGSA-N 2 0 359.562 3.183 20 0 FGADRP C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[NH2+]Cc1ccccc1C[NH2+][C@@H]1[C@H](C)O[C@H](C)[C@H]1C ZINC000528767396 504371441 /nfs/dbraw/zinc/37/14/41/504371441.db2.gz TYWPFDHAHQILCF-PZZLCKQYSA-N 2 0 360.542 3.490 20 0 FGADRP CC[NH+](CC)[C@@H](C(=O)NC[C@H](Cc1ccccc1)[NH+](C)C)c1ccccc1 ZINC000535262915 504386484 /nfs/dbraw/zinc/38/64/84/504386484.db2.gz YPHVEADZGLQHKG-FCHUYYIVSA-N 2 0 367.537 3.359 20 0 FGADRP CC[N@H+](CCC1CC[NH+](Cc2ccc(C(=O)NC)cc2)CC1)CC1CC1 ZINC000538857703 504394636 /nfs/dbraw/zinc/39/46/36/504394636.db2.gz XLEGKVBTIBKFSL-UHFFFAOYSA-N 2 0 357.542 3.380 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H](CO)Cc1ccc(F)cc1 ZINC000531696872 504396103 /nfs/dbraw/zinc/39/61/03/504396103.db2.gz AAMMSBHBZVAJJB-AAIMPIBUSA-N 2 0 370.512 3.477 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)NC[C@@H](C)C[NH+]1CCCCC1)c1ccco1 ZINC000520067713 504406508 /nfs/dbraw/zinc/40/65/08/504406508.db2.gz CZUCFFUWJUHLEE-MSOLQXFVSA-N 2 0 364.534 3.084 20 0 FGADRP Cc1ccc([C@H](CNC(=O)CC[N@@H+](C)C2CCCCC2)[NH+]2CCCC2)o1 ZINC000545309084 504439160 /nfs/dbraw/zinc/43/91/60/504439160.db2.gz SKHFQPZXDZFRBL-IBGZPJMESA-N 2 0 361.530 3.496 20 0 FGADRP CC[NH+]1CCC(CNC(=O)N2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)CC1 ZINC000520272328 504451458 /nfs/dbraw/zinc/45/14/58/504451458.db2.gz YLXYLTZBVPBDMT-AZUAARDMSA-N 2 0 364.578 3.014 20 0 FGADRP C[C@H]([NH2+][C@H]1CN(C)Cc2ccccc21)c1cccc(OCC[NH+](C)C)c1 ZINC000539050358 504457413 /nfs/dbraw/zinc/45/74/13/504457413.db2.gz IKEQGOUJXVPCMV-JTSKRJEESA-N 2 0 353.510 3.464 20 0 FGADRP C[C@H]1CN(C)C[C@@H]1[NH2+]C1CCN(Cc2cccc(C(F)(F)F)c2)CC1 ZINC000531938368 504480880 /nfs/dbraw/zinc/48/08/80/504480880.db2.gz HFJFKAGRECLOFD-KSSFIOAISA-N 2 0 355.448 3.210 20 0 FGADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H](C)c2sccc2Br)CC1 ZINC000531947529 504483380 /nfs/dbraw/zinc/48/33/80/504483380.db2.gz VXADBXXQRRAEIO-QWHCGFSZSA-N 2 0 360.365 3.187 20 0 FGADRP NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+][C@@H](c2ccc(F)cc2)C2CCCC2)C1 ZINC000539200341 504496812 /nfs/dbraw/zinc/49/68/12/504496812.db2.gz FQHGIUBUGQGDIK-UYAOXDASSA-N 2 0 361.505 3.234 20 0 FGADRP CC[NH+](CC)CCNC(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000535703544 504512075 /nfs/dbraw/zinc/51/20/75/504512075.db2.gz KMKDVUWUNUJVCB-UHFFFAOYSA-N 2 0 372.557 3.026 20 0 FGADRP C[NH+](C)[C@@H]1CCc2cc(NC(=O)NC[C@@H]3CC[N@@H+]3C3CCCC3)ccc21 ZINC000529116494 504541086 /nfs/dbraw/zinc/54/10/86/504541086.db2.gz YJIOQESWUMZJTF-AZUAARDMSA-N 2 0 356.514 3.374 20 0 FGADRP CC1CC[NH+]([C@@H](CNC(=O)C23CCC[NH+]2CCC3)c2cccs2)CC1 ZINC000548735557 504546331 /nfs/dbraw/zinc/54/63/31/504546331.db2.gz FERLYENMJMZIBO-KRWDZBQOSA-N 2 0 361.555 3.266 20 0 FGADRP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000548739710 504547745 /nfs/dbraw/zinc/54/77/45/504547745.db2.gz DYQXDDDUIKYPBD-OTWHNJEPSA-N 2 0 357.542 3.379 20 0 FGADRP CCC[NH+]1CCN(c2ccccc2C[N@@H+]2CCC[C@@H]([C@H]3CCOC3)C2)CC1 ZINC000535806503 504550941 /nfs/dbraw/zinc/55/09/41/504550941.db2.gz ZFNVYJWRSMYMHQ-IRLDBZIGSA-N 2 0 371.569 3.467 20 0 FGADRP C[C@@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1sccc1Br ZINC000532202787 504571969 /nfs/dbraw/zinc/57/19/69/504571969.db2.gz FXKKZEUDJQPRDC-GFCCVEGCSA-N 2 0 360.365 3.187 20 0 FGADRP O=C(NCc1ccc(C[NH+]2CCCCCC2)cc1)N[C@@H]1CC[NH2+]C12CCC2 ZINC000529298457 504625525 /nfs/dbraw/zinc/62/55/25/504625525.db2.gz HRZLSJFBHKCOFT-HXUWFJFHSA-N 2 0 370.541 3.146 20 0 FGADRP COc1cc(C)ccc1[C@@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000542848358 504633097 /nfs/dbraw/zinc/63/30/97/504633097.db2.gz KNAQAKOTXSMDAK-YLJYHZDGSA-N 2 0 354.494 3.421 20 0 FGADRP CN(CCC[NH+]1CCCC1)C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000539627436 504633639 /nfs/dbraw/zinc/63/36/39/504633639.db2.gz WYSKACFVIIQSPW-UHFFFAOYSA-N 2 0 372.557 3.300 20 0 FGADRP CC[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)c1cccc(OC)c1 ZINC000532452082 504655437 /nfs/dbraw/zinc/65/54/37/504655437.db2.gz QHJNPZQPMPWQRJ-HXUWFJFHSA-N 2 0 354.498 3.083 20 0 FGADRP C[NH+]1CCN(C[C@@H]([NH2+]C2C3CC4CC(C3)CC2C4)c2ccccc2)CC1 ZINC000532497778 504672199 /nfs/dbraw/zinc/67/21/99/504672199.db2.gz OSBKCPIBOKFRRD-FCFUPZCYSA-N 2 0 353.554 3.389 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)Cc2cnc3ccc(Br)cn23)C[C@H]1C ZINC000539816980 504698951 /nfs/dbraw/zinc/69/89/51/504698951.db2.gz IBOQZNROIUMYQS-HIFRSBDPSA-N 2 0 365.319 3.401 20 0 FGADRP CC1(C)CCC[C@H]([NH2+]Cc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)C1 ZINC000532616061 504711388 /nfs/dbraw/zinc/71/13/88/504711388.db2.gz RDXQWBGXIHEISH-PMACEKPBSA-N 2 0 357.542 3.442 20 0 FGADRP CC1(C)CCC[C@H]([NH2+]Cc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)C1 ZINC000532616065 504711623 /nfs/dbraw/zinc/71/16/23/504711623.db2.gz RDXQWBGXIHEISH-UXHICEINSA-N 2 0 357.542 3.442 20 0 FGADRP CC[NH+](CC)CCN(Cc1ccccc1)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000521354833 504717028 /nfs/dbraw/zinc/71/70/28/504717028.db2.gz GSDZFFHUMHYEHM-HXUWFJFHSA-N 2 0 372.557 3.024 20 0 FGADRP C[C@@H]([NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1)c1ccccc1N(C)C ZINC000539857525 504719179 /nfs/dbraw/zinc/71/91/79/504719179.db2.gz IAWPDNZVIYXXLH-LJQANCHMSA-N 2 0 367.541 3.011 20 0 FGADRP CC[N@@H+]1CCCN(C(=O)N[C@@H]2CC[NH+](Cc3ccccc3)CC2(C)C)CC1 ZINC000549208234 504724543 /nfs/dbraw/zinc/72/45/43/504724543.db2.gz UDLKMMRRDPPHIK-HXUWFJFHSA-N 2 0 372.557 3.024 20 0 FGADRP CC[C@@H]1CCC[N@@H+]([C@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000532769750 504755000 /nfs/dbraw/zinc/75/50/00/504755000.db2.gz ASNHDFFNHGVXKQ-RTBURBONSA-N 2 0 357.542 3.278 20 0 FGADRP CC[N@H+](CCC1CCN(C(=O)NC[C@H](C)[NH+](C)C2CC2)CC1)CC1CC1 ZINC000540010158 504759049 /nfs/dbraw/zinc/75/90/49/504759049.db2.gz XJJZCIDFCBAWOW-KRWDZBQOSA-N 2 0 364.578 3.013 20 0 FGADRP CC[N@H+](CCC1CC[NH+](CC(=O)N(C)Cc2ccco2)CC1)CC1CC1 ZINC000540046058 504765456 /nfs/dbraw/zinc/76/54/56/504765456.db2.gz BHNAEMKOUUVQMO-UHFFFAOYSA-N 2 0 361.530 3.072 20 0 FGADRP CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)CC1(C[NH3+])CCCCC1 ZINC000565037833 504778353 /nfs/dbraw/zinc/77/83/53/504778353.db2.gz DLQXVBNLAUEYCT-UHFFFAOYSA-N 2 0 372.557 3.446 20 0 FGADRP CC1CC[NH+](CCCCNC(=O)C[C@@H](c2nccn2C)C(F)(F)F)CC1 ZINC000552996913 504801481 /nfs/dbraw/zinc/80/14/81/504801481.db2.gz MNLCANZSORVMLE-HNNXBMFYSA-N 2 0 374.451 3.084 20 0 FGADRP Cc1cnccc1OC1CCN([C@H](C(=O)NC2CC2)c2ccccc2)CC1 ZINC000562383072 504801863 /nfs/dbraw/zinc/80/18/63/504801863.db2.gz QZTDAACXQMTSID-NRFANRHFSA-N 2 0 365.477 3.253 20 0 FGADRP CC[NH+](CC)CCOc1ccc(NC(=O)c2ccccc2CC[NH3+])cc1 ZINC000565150176 504808959 /nfs/dbraw/zinc/80/89/59/504808959.db2.gz IVIBKUAKAZSBAL-UHFFFAOYSA-N 2 0 355.482 3.161 20 0 FGADRP CC[C@@H](C(=O)N1CCC(C[NH+]2CCCC2)CC1)[N@H+](C)Cc1ccccc1 ZINC000559278850 504818789 /nfs/dbraw/zinc/81/87/89/504818789.db2.gz RPYJJGSTKFSACQ-NRFANRHFSA-N 2 0 357.542 3.231 20 0 FGADRP C[NH+](C)C[C@H](NC(=O)NCC[N@H+](C)C1CCCC1)c1ccc(Cl)cc1 ZINC000549472088 504831894 /nfs/dbraw/zinc/83/18/94/504831894.db2.gz QGTUWAKIDFKYGB-SFHVURJKSA-N 2 0 366.937 3.116 20 0 FGADRP CC[C@H](NC(=O)C[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)c1ccc(Cl)cc1 ZINC000565303913 504849308 /nfs/dbraw/zinc/84/93/08/504849308.db2.gz XITLVVAPOFBFGE-AOIWGVFYSA-N 2 0 363.933 3.229 20 0 FGADRP O=C(NCC1CC[NH+](Cc2ccccc2Cl)CC1)[C@@H]1CCCCC[NH2+]1 ZINC000565368536 504867549 /nfs/dbraw/zinc/86/75/49/504867549.db2.gz VLAKYUUMRLGEOY-IBGZPJMESA-N 2 0 363.933 3.200 20 0 FGADRP CCC[N@H+](C)CC(=O)NC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000553300742 504876842 /nfs/dbraw/zinc/87/68/42/504876842.db2.gz ATIBCYVMGCDGAV-UHFFFAOYSA-N 2 0 372.340 3.416 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000553326424 504884423 /nfs/dbraw/zinc/88/44/23/504884423.db2.gz DHGNYUBCWPDWTC-TZIWHRDSSA-N 2 0 357.542 3.279 20 0 FGADRP Cc1cn2cc(NC(=O)N[C@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C)ccc2n1 ZINC000565445839 504889144 /nfs/dbraw/zinc/88/91/44/504889144.db2.gz TTWGAGCGMAOFTE-APWZRJJASA-N 2 0 363.465 3.427 20 0 FGADRP C[NH+](C)[C@H](CNC(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(F)cc1 ZINC000553351287 504890769 /nfs/dbraw/zinc/89/07/69/504890769.db2.gz HJXXDBHOESASQK-PZJWPPBQSA-N 2 0 369.484 3.067 20 0 FGADRP CC[C@@H]1C[N@H+](C)CCN1C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000556570158 504906271 /nfs/dbraw/zinc/90/62/71/504906271.db2.gz CZKCWSUGBLGDMQ-HXUWFJFHSA-N 2 0 358.530 3.273 20 0 FGADRP Ic1cccc(CN2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000556599874 504915907 /nfs/dbraw/zinc/91/59/07/504915907.db2.gz BACDRCIHJFYXJD-HNNXBMFYSA-N 2 0 370.278 3.209 20 0 FGADRP Brc1ccc(OCC[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000565599227 504933476 /nfs/dbraw/zinc/93/34/76/504933476.db2.gz SBMOGAKUBSPEJO-OAHLLOKOSA-N 2 0 353.304 3.149 20 0 FGADRP Cc1ccc(-c2nc(C[NH+]3CCC([C@H]4OCCC[C@H]4[NH3+])CC3)co2)cc1 ZINC000562750791 504933301 /nfs/dbraw/zinc/93/33/01/504933301.db2.gz JUMJMBOAFGZMQU-WOJBJXKFSA-N 2 0 355.482 3.368 20 0 FGADRP C[C@H]1C[C@H](NC(=O)Nc2cccc3c2CC[NH2+]C3)C[N@@H+]1Cc1ccccc1 ZINC000562767651 504938368 /nfs/dbraw/zinc/93/83/68/504938368.db2.gz LGIBUMMJVGBOPZ-LPHOPBHVSA-N 2 0 364.493 3.117 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)Nc2ccc3c(c2)C[NH2+]CCO3)C1 ZINC000562772516 504940674 /nfs/dbraw/zinc/94/06/74/504940674.db2.gz DVMYIQUHPYTKGI-IYBDPMFKSA-N 2 0 374.529 3.047 20 0 FGADRP CC[NH+](CC)[C@@H](C(=O)N1CC[N@@H+](C2CCC2)C[C@@H](C)C1)c1ccccc1 ZINC000553528554 504940954 /nfs/dbraw/zinc/94/09/54/504940954.db2.gz QVNZDCXNFSFEMH-WIYYLYMNSA-N 2 0 357.542 3.402 20 0 FGADRP CC[NH+](CC)[C@@H](C(=O)N1CC[N@@H+](C2CCC2)C[C@H](C)C1)c1ccccc1 ZINC000553528550 504941524 /nfs/dbraw/zinc/94/15/24/504941524.db2.gz QVNZDCXNFSFEMH-GHTZIAJQSA-N 2 0 357.542 3.402 20 0 FGADRP Cc1ccccc1C[NH+]1CCC(NC(=O)CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000550138771 504975527 /nfs/dbraw/zinc/97/55/27/504975527.db2.gz DWPNCWXFXDESHX-LJQANCHMSA-N 2 0 357.542 3.340 20 0 FGADRP Cn1c2ccc(C[NH2+]Cc3ccc(C[NH+](C)C)c(F)c3)cc2sc1=O ZINC000560079648 504986791 /nfs/dbraw/zinc/98/67/91/504986791.db2.gz AIHNRVOFQGAPMU-UHFFFAOYSA-N 2 0 359.470 3.091 20 0 FGADRP CC[N@H+](Cc1ccc(C(=O)N2CC[NH+]([C@@H]3C[C@@H]3C)C[C@@H](C)C2)cc1)C1CC1 ZINC000553781837 505007972 /nfs/dbraw/zinc/00/79/72/505007972.db2.gz GLRUXNINTZMFDW-KGVIQGDOSA-N 2 0 369.553 3.473 20 0 FGADRP Cc1cc2ncn(C[C@@H](O)C[NH2+][C@@H](C)c3nc4ccccc4[nH]3)c2cc1C ZINC000562997137 505013685 /nfs/dbraw/zinc/01/36/85/505013685.db2.gz LBIQRXSQOSRMAQ-HOTGVXAUSA-N 2 0 363.465 3.241 20 0 FGADRP C[N@@H+]1CCC[C@@H]2CN(Cc3cccc(I)c3)CC[C@H]21 ZINC000560258683 505031853 /nfs/dbraw/zinc/03/18/53/505031853.db2.gz SCRIMTQCDGNHMA-GDBMZVCRSA-N 2 0 370.278 3.207 20 0 FGADRP CC(C)[N@@H+]1CCCC[C@@H]1CN1CCC(CC[NH+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000550681831 505084924 /nfs/dbraw/zinc/08/49/24/505084924.db2.gz ULMGPVVLEFYAKD-RZUBCFFCSA-N 2 0 365.606 3.461 20 0 FGADRP Cc1ccc(NC(=O)NC[C@H]2CCC[N@H+](CC[C@H]3CCC[NH2+]C3)C2)cc1 ZINC000557336655 505110372 /nfs/dbraw/zinc/11/03/72/505110372.db2.gz TYQJUSSDMXRGGT-RTBURBONSA-N 2 0 358.530 3.218 20 0 FGADRP CCC[C@H](C)C(=O)NCC[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000550830903 505111256 /nfs/dbraw/zinc/11/12/56/505111256.db2.gz LRANWQWCCWORNA-WSWWRLHASA-N 2 0 371.569 3.429 20 0 FGADRP CCC[N@@H+]1CC[C@H](CNC(=O)N[C@H](C)[C@H](c2ccccc2C)[NH+](C)C)C1 ZINC000554192601 505113271 /nfs/dbraw/zinc/11/32/71/505113271.db2.gz ZYFJOVPEAAUPPT-QWFCFKBJSA-N 2 0 360.546 3.017 20 0 FGADRP NC(=O)C1(C[NH2+][C@@H]2CCCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CCCC1 ZINC000560524503 505114261 /nfs/dbraw/zinc/11/42/61/505114261.db2.gz DFLANTLPYIIMKQ-QHAWAJNXSA-N 2 0 369.553 3.313 20 0 FGADRP O[C@]1(C[NH2+][C@@H]2CCCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CCSC1 ZINC000560528781 505116475 /nfs/dbraw/zinc/11/64/75/505116475.db2.gz KRZVHVRTFMGRMF-NCYKPQTJSA-N 2 0 360.567 3.135 20 0 FGADRP c1ccc(OCc2cccnc2)c(C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)c1 ZINC000566230301 505119177 /nfs/dbraw/zinc/11/91/77/505119177.db2.gz ZZHHOVLGYAAGOK-HXUWFJFHSA-N 2 0 351.494 3.482 20 0 FGADRP C[C@@H]([NH2+]CCCN1CC[N@H+](C)C[C@H]1c1ccccc1)c1ccncc1F ZINC000550885621 505119413 /nfs/dbraw/zinc/11/94/13/505119413.db2.gz ITSHDJWJYOPJSF-UTKZUKDTSA-N 2 0 356.489 3.250 20 0 FGADRP C[C@H]1C[NH+](CCOc2ccc(CC[NH2+]C3CCC(O)CC3)cc2)C[C@@H]1C ZINC000560543859 505120676 /nfs/dbraw/zinc/12/06/76/505120676.db2.gz CVBHLRDLSWBIEU-KHQYNDFOSA-N 2 0 360.542 3.089 20 0 FGADRP Cn1ccc(CC[NH2+][C@@H]2CCCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)n1 ZINC000560549839 505122531 /nfs/dbraw/zinc/12/25/31/505122531.db2.gz ZIGDSWIECDCELN-CEMLEFRQSA-N 2 0 352.526 3.243 20 0 FGADRP CC[C@H](C)[NH2+][C@H](CNC(=O)NCCC[N@@H+]1CCCC[C@@H]1C)c1ccco1 ZINC000554252189 505125655 /nfs/dbraw/zinc/12/56/55/505125655.db2.gz GXNGDLMZCCGBQT-OKZBNKHCSA-N 2 0 364.534 3.273 20 0 FGADRP Cc1ccc(C[NH+]2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)c(-c2ccnn2C)c1 ZINC000563462221 505147316 /nfs/dbraw/zinc/14/73/16/505147316.db2.gz RWAUBOWVJYHWML-KNQAVFIVSA-N 2 0 368.525 3.114 20 0 FGADRP CCC[NH+]1CCN(c2ccccc2C[N@@H+]2CCCO[C@H](C(C)C)C2)CC1 ZINC000560639880 505151738 /nfs/dbraw/zinc/15/17/38/505151738.db2.gz SCOVGCDRPSVANJ-QFIPXVFZSA-N 2 0 359.558 3.466 20 0 FGADRP CC(C)[N@@H+]1CCCC[C@@H]1CN1CCC(C[NH+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000551070113 505152369 /nfs/dbraw/zinc/15/23/69/505152369.db2.gz TXYYTGWGJBVSOE-SVFBPWRDSA-N 2 0 351.579 3.071 20 0 FGADRP C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)Nc2cccc3c2CC[NH2+]C3)C1 ZINC000563499113 505157098 /nfs/dbraw/zinc/15/70/98/505157098.db2.gz MVVPRJQVHWTHLP-IRXDYDNUSA-N 2 0 358.530 3.212 20 0 FGADRP O=C(C[C@@H]1CCC[NH2+]C1)N(CC[NH+]1CCCC1)Cc1ccc(Cl)cc1 ZINC000566470916 505184400 /nfs/dbraw/zinc/18/44/00/505184400.db2.gz MOTDIPRWFCSFOO-SFHVURJKSA-N 2 0 363.933 3.154 20 0 FGADRP COc1cccc(C[NH+]2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)c1OC(C)C ZINC000560979714 505221655 /nfs/dbraw/zinc/22/16/55/505221655.db2.gz PFYHGVQAZIYCII-UYAOXDASSA-N 2 0 362.514 3.201 20 0 FGADRP COc1ncc([C@H](C)[NH2+]CCCC[NH+]2C[C@@H](C)O[C@H](C)C2)cc1Cl ZINC000551529063 505244993 /nfs/dbraw/zinc/24/49/93/505244993.db2.gz AOQQDHOEPMTZNX-KFWWJZLASA-N 2 0 355.910 3.284 20 0 FGADRP COc1ncc([C@H](C)[NH2+]CCCC[NH+]2C[C@H](C)O[C@@H](C)C2)cc1Cl ZINC000551529066 505245065 /nfs/dbraw/zinc/24/50/65/505245065.db2.gz AOQQDHOEPMTZNX-KKUMJFAQSA-N 2 0 355.910 3.284 20 0 FGADRP CC1(C)CCC[C@@H]([NH2+]CCCC[NH+]2CCN(c3ncccn3)CC2)CC1 ZINC000563821429 505249079 /nfs/dbraw/zinc/24/90/79/505249079.db2.gz IVHCSDRBLSLSFJ-LJQANCHMSA-N 2 0 359.562 3.327 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1)CC(C)C ZINC000561109011 505252757 /nfs/dbraw/zinc/25/27/57/505252757.db2.gz BYJBNHVPEACTME-PMACEKPBSA-N 2 0 366.594 3.403 20 0 FGADRP COC(=O)c1cc(C[NH2+]Cc2cccc(C[NH+]3CCC(C)CC3)c2)cn1C ZINC000554861314 505283637 /nfs/dbraw/zinc/28/36/37/505283637.db2.gz LVLDANLIHJOEKS-UHFFFAOYSA-N 2 0 369.509 3.333 20 0 FGADRP CN(c1ccccc1C[N@@H+]1CCC[C@@H]1[C@H]1CCCO1)C1CC[NH+](C)CC1 ZINC000551813594 505316889 /nfs/dbraw/zinc/31/68/89/505316889.db2.gz NFTPSWNGVJEREW-FGZHOGPDSA-N 2 0 357.542 3.360 20 0 FGADRP O=C(c1cccc(C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)c1)N1CCCCC1 ZINC000564085924 505321790 /nfs/dbraw/zinc/32/17/90/505321790.db2.gz RYGLTWKKTAPSKH-NRFANRHFSA-N 2 0 355.526 3.134 20 0 FGADRP C[C@H](C(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)C)[C@H]([NH3+])c1ccccc1 ZINC000567107794 505364686 /nfs/dbraw/zinc/36/46/86/505364686.db2.gz RPBNWZPVQFWLRM-KYNGSXCRSA-N 2 0 359.901 3.395 20 0 FGADRP C[C@@H](NC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)[C@@H](c1ccccc1)[NH+](C)C ZINC000558349317 505365540 /nfs/dbraw/zinc/36/55/40/505365540.db2.gz UQNFXPDPAGMRPB-QAPCUYQASA-N 2 0 360.546 3.286 20 0 FGADRP CCCC[N@H+](C)C[C@@H](C)NC(=O)N[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000555162634 505367956 /nfs/dbraw/zinc/36/79/56/505367956.db2.gz RJGHQIOATYVVMK-SBHAEUEKSA-N 2 0 374.573 3.459 20 0 FGADRP C[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)[C@@H]1C[C@H]1c1ccccc1 ZINC000555167674 505369344 /nfs/dbraw/zinc/36/93/44/505369344.db2.gz KZGGVRAFDAESBZ-YYWHXJBOSA-N 2 0 350.510 3.115 20 0 FGADRP CC[C@@H]([NH2+][C@@H](C)CN1CC[NH+](C)CC1)c1ccc(OC(F)(F)F)cc1 ZINC000552044856 505380299 /nfs/dbraw/zinc/38/02/99/505380299.db2.gz PYNXWTOJTREYOE-WMLDXEAASA-N 2 0 359.436 3.262 20 0 FGADRP C[C@@H](CCc1ccc(F)cc1F)[NH2+]Cc1ccnc(OCC[NH+](C)C)c1 ZINC000552061580 505387122 /nfs/dbraw/zinc/38/71/22/505387122.db2.gz ROSYZFYZBIHGHK-HNNXBMFYSA-N 2 0 363.452 3.411 20 0 FGADRP CN1CCN(C(=O)Nc2cccc(-c3cccc(Cl)c3)c2)[C@@H](C[NH3+])C1 ZINC000567243792 505405548 /nfs/dbraw/zinc/40/55/48/505405548.db2.gz NLLHTEAKFROVAD-SFHVURJKSA-N 2 0 358.873 3.114 20 0 FGADRP C[NH+](C)[C@H](CNC(=O)[C@@H]1C[NH2+]C[C@H]1c1ccc(Cl)cc1)c1ccccc1 ZINC000564464337 505426701 /nfs/dbraw/zinc/42/67/01/505426701.db2.gz BSFFYEHJHDSALR-XUVXKRRUSA-N 2 0 371.912 3.062 20 0 FGADRP [NH3+]CC[C@H]1CCCN(C(=O)NC[C@H]2CCCC[N@H+](Cc3ccccc3)C2)C1 ZINC000567337013 505434162 /nfs/dbraw/zinc/43/41/62/505434162.db2.gz LCENKUJTIZSSJO-NHCUHLMSSA-N 2 0 372.557 3.059 20 0 FGADRP CCCC[N@H+](C)C[C@@H](C)NC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000558608739 505438289 /nfs/dbraw/zinc/43/82/89/505438289.db2.gz WJZLVKWCOCOKIQ-LJQANCHMSA-N 2 0 374.573 3.379 20 0 FGADRP C[NH+]1CCN(c2cc[nH+]cc2N[C@H]2CCC[C@H](c3cccnc3)C2)CC1 ZINC000558620855 505442272 /nfs/dbraw/zinc/44/22/72/505442272.db2.gz QYDUMZGYKGVYFG-HKUYNNGSSA-N 2 0 351.498 3.367 20 0 FGADRP C[C@@H](NC(=O)[C@@H](C)[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)c1cccc2ccccc21 ZINC000567386873 505448476 /nfs/dbraw/zinc/44/84/76/505448476.db2.gz LKGLIEQXQBOPSW-LFGUQSLTSA-N 2 0 365.521 3.337 20 0 FGADRP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]C[C@@H](CO)Cc2ccco2)CC1 ZINC000567453378 505468067 /nfs/dbraw/zinc/46/80/67/505468067.db2.gz TYTDBGIYZJCCCM-ICSRJNTNSA-N 2 0 356.510 3.116 20 0 FGADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)Nc1ccn2ccnc2c1 ZINC000562083988 505513292 /nfs/dbraw/zinc/51/32/92/505513292.db2.gz LZTMADLNSUSTKI-UHFFFAOYSA-N 2 0 351.454 3.496 20 0 FGADRP COc1cc(F)c([C@H](C)[NH2+]CC2(SC)CC[NH+](C)CC2)cc1OC ZINC000562099736 505518995 /nfs/dbraw/zinc/51/89/95/505518995.db2.gz IZSVBIAQLVTLEQ-ZDUSSCGKSA-N 2 0 356.507 3.321 20 0 FGADRP C[C@H](NC(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)cc1)C(C)(C)C[NH+](C)C ZINC000558908680 505527285 /nfs/dbraw/zinc/52/72/85/505527285.db2.gz TWEUNVAHAJHGKO-YOEHRIQHSA-N 2 0 368.953 3.218 20 0 FGADRP C[NH+](C)[C@@H]1CCc2cc(NC[C@H](O)C[N@@H+]3CCc4ccccc4C3)ccc21 ZINC000567706553 505544583 /nfs/dbraw/zinc/54/45/83/505544583.db2.gz WBHUBIHCDFRIKX-JTHBVZDNSA-N 2 0 365.521 3.067 20 0 FGADRP [NH3+]CCC[C@@H](NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000564955333 505562773 /nfs/dbraw/zinc/56/27/73/505562773.db2.gz XBCIYRNKJOZPSE-FGZHOGPDSA-N 2 0 365.521 3.495 20 0 FGADRP CN1CC[NH+](CCCC[NH2+][C@H](Cc2ccncc2)c2cccs2)CC1 ZINC000582719934 506384093 /nfs/dbraw/zinc/38/40/93/506384093.db2.gz JRTOVFBIWPENLN-LJQANCHMSA-N 2 0 358.555 3.044 20 0 FGADRP CC[C@@H]1CCC[C@@H]([NH2+]Cc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)C1 ZINC000608056608 506397957 /nfs/dbraw/zinc/39/79/57/506397957.db2.gz NVEJXEXHNNQQCV-JRGCBEDISA-N 2 0 357.542 3.442 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)Nc1cccc2c1CC[NH2+]C2)c1ccco1 ZINC000582773884 506413341 /nfs/dbraw/zinc/41/33/41/506413341.db2.gz PWYPORNWVUVERS-SFHVURJKSA-N 2 0 356.470 3.130 20 0 FGADRP CC(C)[C@H](C(=O)N1CC[C@H]([N@H+](C)Cc2ccccc2)C1)[NH+]1CCCCC1 ZINC000608167793 506449451 /nfs/dbraw/zinc/44/94/51/506449451.db2.gz SZLSCSCIUCCVLW-LEWJYISDSA-N 2 0 357.542 3.230 20 0 FGADRP CCC(CC)[C@H](CNC(=O)N1CCC[C@H]([NH+]2CCCC2)C1)[NH+]1CCCC1 ZINC000612339164 506534896 /nfs/dbraw/zinc/53/48/96/506534896.db2.gz TZDFEGYYUJMGQA-PMACEKPBSA-N 2 0 364.578 3.157 20 0 FGADRP CC(C)[NH+](CCNC(=O)N1CC[C@@H]([N@H+](C)Cc2ccccc2)C1)C(C)C ZINC000608616174 506634109 /nfs/dbraw/zinc/63/41/09/506634109.db2.gz VNMHOSVVPPHVLO-HXUWFJFHSA-N 2 0 360.546 3.021 20 0 FGADRP CCN(CC(=O)Nc1ccc(F)c(F)c1)Cc1ccc(C[NH+](C)C)cc1 ZINC000589999364 506701300 /nfs/dbraw/zinc/70/13/00/506701300.db2.gz BZPCCDGHJOCJGH-UHFFFAOYSA-N 2 0 361.436 3.487 20 0 FGADRP O=C(N[C@@H](C[NH+]1CCCCC1)c1ccccc1)NC1CC[NH+](C2CC2)CC1 ZINC000604165028 506732546 /nfs/dbraw/zinc/73/25/46/506732546.db2.gz WTVHZSOZIZGFRB-NRFANRHFSA-N 2 0 370.541 3.140 20 0 FGADRP CN(CC1CC[NH+](C)CC1)C(=O)N[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000604201567 506748171 /nfs/dbraw/zinc/74/81/71/506748171.db2.gz ABAGTGGFMIQNIB-OAQYLSRUSA-N 2 0 372.557 3.197 20 0 FGADRP C[NH+](C)[C@@H](CNC(=O)N1CCC[C@@H]1C[NH+]1CCCCC1)C1CCCCC1 ZINC000590147578 506749547 /nfs/dbraw/zinc/74/95/47/506749547.db2.gz VYCZCHPHMFGOIE-UXHICEINSA-N 2 0 364.578 3.157 20 0 FGADRP O=C(N[C@H](C[NH+]1CCCCC1)c1ccccc1)N1CC[NH+](C2CCC2)CC1 ZINC000604206865 506752297 /nfs/dbraw/zinc/75/22/97/506752297.db2.gz WWTQYBWGYQOCRU-OAQYLSRUSA-N 2 0 370.541 3.093 20 0 FGADRP C[N@H+](Cc1ccccc1CNC(=O)N[C@@]1(C)CC[NH2+]C1)C1CCCCC1 ZINC000612873021 506793374 /nfs/dbraw/zinc/79/33/74/506793374.db2.gz NQIIMTSZCDMRSD-NRFANRHFSA-N 2 0 358.530 3.002 20 0 FGADRP Cc1c(CNC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)oc2ccccc12 ZINC000604657589 506904571 /nfs/dbraw/zinc/90/45/71/506904571.db2.gz JYAMRKVNWLHWHV-UHFFFAOYSA-N 2 0 374.529 3.156 20 0 FGADRP O=C(NCc1cccc(C[NH+]2CCCC2)c1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000594092678 506935613 /nfs/dbraw/zinc/93/56/13/506935613.db2.gz JEWRNDYEZHVNLD-NRFANRHFSA-N 2 0 370.541 3.052 20 0 FGADRP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)NCC2([NH+](C)C)CCCC2)CC1 ZINC000604806521 506950997 /nfs/dbraw/zinc/95/09/97/506950997.db2.gz QXKPUWLIWIWXKT-SFHVURJKSA-N 2 0 372.557 3.386 20 0 FGADRP CC(C)[N@H+](C)CC1CC[NH+]([C@H](C)C(=O)N[C@H]2CCC[C@@H](C)[C@H]2C)CC1 ZINC000590786546 506954586 /nfs/dbraw/zinc/95/45/86/506954586.db2.gz DSPUERIRXLQMNP-MLYOOKFZSA-N 2 0 351.579 3.368 20 0 FGADRP C[C@@H](c1cccc2ccccc21)[NH+]1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000590790523 506959441 /nfs/dbraw/zinc/95/94/41/506959441.db2.gz DRJPDMRXVCVAMP-SFHVURJKSA-N 2 0 351.494 3.141 20 0 FGADRP CC(C)[N@H+](C)CC1CC[NH+](C[C@@H](O)COc2ccccc2Cl)CC1 ZINC000590819018 506980108 /nfs/dbraw/zinc/98/01/08/506980108.db2.gz SZUXXUXUCXVLDM-QGZVFWFLSA-N 2 0 354.922 3.132 20 0 FGADRP O=C(Nc1ccc2c(c1)C[NH2+]C2)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000583920081 507051303 /nfs/dbraw/zinc/05/13/03/507051303.db2.gz FGBLAOCPODFFAS-HXUWFJFHSA-N 2 0 350.466 3.076 20 0 FGADRP COC[C@](C)(O)C[NH2+][C@@H](CCC[NH+]1CCC(C)CC1)c1ccc(F)cc1 ZINC000584087378 507144361 /nfs/dbraw/zinc/14/43/61/507144361.db2.gz XAHKNLMGKCEXKT-LEWJYISDSA-N 2 0 366.521 3.366 20 0 FGADRP COC[C@@](C)(O)C[NH2+][C@H](CCC[NH+]1CCC(C)CC1)c1ccc(F)cc1 ZINC000584087380 507144705 /nfs/dbraw/zinc/14/47/05/507144705.db2.gz XAHKNLMGKCEXKT-RTWAWAEBSA-N 2 0 366.521 3.366 20 0 FGADRP CC[NH+](CC)CCOc1ccc(NC(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)cc1 ZINC000605340003 507153313 /nfs/dbraw/zinc/15/33/13/507153313.db2.gz FQTFNEATDPYNQY-LJQANCHMSA-N 2 0 374.529 3.013 20 0 FGADRP C[C@@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1ccc(I)cc1 ZINC000594509386 507161541 /nfs/dbraw/zinc/16/15/41/507161541.db2.gz IEGHYOUGIXUXJF-JMSVASOKSA-N 2 0 358.267 3.282 20 0 FGADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]C[C@H](C(=O)OC(C)(C)C)C(C)C ZINC000594518613 507169082 /nfs/dbraw/zinc/16/90/82/507169082.db2.gz JXVPYSSSSGFWMB-SFHVURJKSA-N 2 0 358.486 3.279 20 0 FGADRP CC(C)(CNC(=O)c1ccc(Nc2cc[nH+]cc2)cc1)[NH+]1CCCCC1 ZINC000605398688 507172695 /nfs/dbraw/zinc/17/26/95/507172695.db2.gz LHASDLPBJMZYMS-UHFFFAOYSA-N 2 0 352.482 3.241 20 0 FGADRP C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000605403250 507178673 /nfs/dbraw/zinc/17/86/73/507178673.db2.gz BZOUCFQSEMZVNW-KURKYZTESA-N 2 0 366.509 3.343 20 0 FGADRP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@@H]2[NH2+]Cc1ccc2c(c1)OCCCO2 ZINC000584166921 507191412 /nfs/dbraw/zinc/19/14/12/507191412.db2.gz QWOLEDGBKRNLIM-PGRDOPGGSA-N 2 0 366.461 3.193 20 0 FGADRP COC(=O)c1cc(C[NH2+]Cc2ccc(OC3CC[NH+](C)CC3)cc2)c(C)o1 ZINC000594606158 507206319 /nfs/dbraw/zinc/20/63/19/507206319.db2.gz GKDQIAHTNNFDIU-UHFFFAOYSA-N 2 0 372.465 3.137 20 0 FGADRP CCCN(C(=O)N[C@H](C)C[C@H](C)[NH3+])[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000584290125 507262185 /nfs/dbraw/zinc/26/21/85/507262185.db2.gz FBIWUWLWGZUMND-NLWGTHIKSA-N 2 0 360.546 3.198 20 0 FGADRP CN1CC[C@@H]([NH2+]Cc2ccc3c(c2)C[NH2+]CC3)[C@H]1c1ccc(F)c(F)c1 ZINC000584296704 507264252 /nfs/dbraw/zinc/26/42/52/507264252.db2.gz FCZNTALALWUZDU-NHCUHLMSSA-N 2 0 357.448 3.146 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N1CCC[C@H]1C[NH+]1CCCC1)c1ccccc1 ZINC000591543836 507284855 /nfs/dbraw/zinc/28/48/55/507284855.db2.gz PTMJCEJKFJFBNL-LEWJYISDSA-N 2 0 372.557 3.339 20 0 FGADRP Cn1ccnc1[C@H]1CC[N@H+](Cc2nc3ccc(Br)cc3o2)C1 ZINC000584358849 507301125 /nfs/dbraw/zinc/30/11/25/507301125.db2.gz IUIZDPOTGJHDMP-NSHDSACASA-N 2 0 361.243 3.313 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)N1CCC[C@@H]([NH2+]C(C)C)C1)Cc1ccccc1 ZINC000601243697 507309356 /nfs/dbraw/zinc/30/93/56/507309356.db2.gz BVAGOJHBQVFTAV-NHCUHLMSSA-N 2 0 374.573 3.112 20 0 FGADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCC(=O)Nc2cc(Cl)ccc2OC)C[C@H]1C ZINC000584440384 507344771 /nfs/dbraw/zinc/34/47/71/507344771.db2.gz QCCVILLSPVPHSN-GDBMZVCRSA-N 2 0 367.921 3.482 20 0 FGADRP CC(C)OCC[C@@H](O)C[NH2+][C@@H](CN1CCc2ccccc2C1)C(C)(C)C ZINC000584464587 507359253 /nfs/dbraw/zinc/35/92/53/507359253.db2.gz ANIHORVPFUBIIT-RTWAWAEBSA-N 2 0 362.558 3.225 20 0 FGADRP [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000584519581 507390533 /nfs/dbraw/zinc/39/05/33/507390533.db2.gz FPLDCFGTPJYQHM-QHAWAJNXSA-N 2 0 372.557 3.105 20 0 FGADRP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000606628102 507458646 /nfs/dbraw/zinc/45/86/46/507458646.db2.gz RYQPYEWZBUIOQS-OAQYLSRUSA-N 2 0 372.557 3.154 20 0 FGADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000595637169 507607817 /nfs/dbraw/zinc/60/78/17/507607817.db2.gz XYIZNGVZBSLITM-QGZVFWFLSA-N 2 0 352.567 3.249 20 0 FGADRP C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)[C@@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000614726068 507637591 /nfs/dbraw/zinc/63/75/91/507637591.db2.gz WHKRLBQUGSNOLT-CEMLEFRQSA-N 2 0 369.553 3.026 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)C[NH+]1[C@H](C)CC[C@H]1C)c1cccc(OC)c1 ZINC000607279467 507675019 /nfs/dbraw/zinc/67/50/19/507675019.db2.gz XSGLFYHSSYBGTG-MBOZVWFJSA-N 2 0 361.530 3.067 20 0 FGADRP CC[C@@H](CNC(=O)c1cccc(C[NH+](C)C)c1)[N@@H+]1CCc2ccccc2C1 ZINC000607383913 507715622 /nfs/dbraw/zinc/71/56/22/507715622.db2.gz GSTXIBGOOTWKLY-QFIPXVFZSA-N 2 0 365.521 3.315 20 0 FGADRP C[C@H]1CN(C(=O)[C@@H](C[NH+]2CCCC2)c2ccccc2)CC[N@@H+](C2CCC2)C1 ZINC000615193023 507774197 /nfs/dbraw/zinc/77/41/97/507774197.db2.gz CYLQUAJFAWXLBU-KNQAVFIVSA-N 2 0 369.553 3.199 20 0 FGADRP C(CC[NH+]1CCCO[C@@H]2CCC[C@H]21)CC[N@@H+]1CCCO[C@@H]2CCC[C@@H]21 ZINC000359870125 527478318 /nfs/dbraw/zinc/47/83/18/527478318.db2.gz LMWCVYULDMBYGC-PLACYPQZSA-N 2 0 350.547 3.444 20 0 FGADRP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)NC[C@H]1CCCC[NH2+]1 ZINC000669117730 568032044 /nfs/dbraw/zinc/03/20/44/568032044.db2.gz AQTWNPGQESJZNX-FXAWDEMLSA-N 2 0 358.530 3.002 20 0 FGADRP C[C@H](c1ccc(-c2nn[nH]n2)cc1)[N@@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000736275178 599337704 /nfs/dbraw/zinc/33/77/04/599337704.db2.gz HYMAUJFMXRGQPV-MSOLQXFVSA-N 2 0 368.529 3.372 20 0 FGADRP C[C@@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)c1cccc(-c2nn[nH]n2)c1 ZINC000820410090 607084068 /nfs/dbraw/zinc/08/40/68/607084068.db2.gz CWJITSKOAKYMPV-OAHLLOKOSA-N 2 0 354.502 3.314 20 0 FGADRP c1ccc(-c2ccc(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@H]4C3)cc2)c(-c2nn[nH]n2)c1 ZINC000826519337 608363268 /nfs/dbraw/zinc/36/32/68/608363268.db2.gz UVPCEXMIMOQBER-MOPGFXCFSA-N 2 0 374.492 3.250 20 0 FGADRP CC(C)(C)[NH+]1CCC([NH2+][C@@H]2CCCc3cc(-c4nn[nH]n4)ccc32)CC1 ZINC000824094560 608517425 /nfs/dbraw/zinc/51/74/25/608517425.db2.gz YOBUVXXEBKLCFX-GOSISDBHSA-N 2 0 354.502 3.097 20 0 FGADRP CC(C)COC(=O)N1CCC([NH2+]CCCC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000089139050 700382623 /nfs/dbraw/zinc/38/26/23/700382623.db2.gz AHROSKYZCPUOLX-SFHVURJKSA-N 2 0 353.551 3.488 20 0 FGADRP C[N@@H+]1CCCN(CCC[NH2+]Cc2cc(Br)ccc2Cl)CC1 ZINC000136059368 704857426 /nfs/dbraw/zinc/85/74/26/704857426.db2.gz QAZKJYZPPRPQRN-UHFFFAOYSA-N 2 0 374.754 3.220 20 0 FGADRP C[C@H]([NH2+]C[C@@H](O)COc1cccc(Cl)c1Cl)C1CC[NH+](C)CC1 ZINC000154293935 705029543 /nfs/dbraw/zinc/02/95/43/705029543.db2.gz IDZLAWPWKLPZRH-GXTWGEPZSA-N 2 0 361.313 3.053 20 0 FGADRP COc1cc([C@@H](C)[NH2+]CCCN2CC[NH+](C)CC2)ccc1SC(F)F ZINC000162566953 705299092 /nfs/dbraw/zinc/29/90/92/705299092.db2.gz GKUBEOHQYDTPAP-CQSZACIVSA-N 2 0 373.513 3.298 20 0 FGADRP CCCC[N@H+](C)CC1CCN(C(=O)[C@@H]([NH3+])c2cccc(Cl)c2)CC1 ZINC000165056611 705336648 /nfs/dbraw/zinc/33/66/48/705336648.db2.gz DCCDAKMXKAPSGO-SFHVURJKSA-N 2 0 351.922 3.310 20 0 FGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H]2CCSc3c(F)cccc32)CC1 ZINC000178693892 705672826 /nfs/dbraw/zinc/67/28/26/705672826.db2.gz RZJFKSJCRJHIHQ-CRAIPNDOSA-N 2 0 351.535 3.226 20 0 FGADRP CC[NH+](CC)Cc1cc([C@H](C)[NH2+]C[C@@]2(O)CCSC2)ccc1OC ZINC000183069414 705875992 /nfs/dbraw/zinc/87/59/92/705875992.db2.gz FXHPJINRHGVOOL-KXBFYZLASA-N 2 0 352.544 3.056 20 0 FGADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)[C@@H](C)C1 ZINC000245420311 713604922 /nfs/dbraw/zinc/60/49/22/713604922.db2.gz HMENNNJJZLMANN-BZSNNMDCSA-N 2 0 353.551 3.296 20 0 FGADRP CC(C)(C)OC(=O)N1CC[C@H]([NH2+]C2CCN(C3CC3)CC2)C(C)(C)C1 ZINC000302424668 713783424 /nfs/dbraw/zinc/78/34/24/713783424.db2.gz ZPCZICOMZXLMPI-KRWDZBQOSA-N 2 0 351.535 3.238 20 0 FGADRP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)NC[C@@H](C1CCCCC1)[NH+](C)C ZINC000521698036 714142616 /nfs/dbraw/zinc/14/26/16/714142616.db2.gz NIUKSSYRFALBSF-SCTDSRPQSA-N 2 0 352.567 3.059 20 0 FGADRP C[C@@H](CNC(=O)NCCCCC[NH+]1CCCCC1)[N@@H+]1CCCC[C@H]1C ZINC000523603261 714242974 /nfs/dbraw/zinc/24/29/74/714242974.db2.gz KNXJUBZDFNDEGX-MOPGFXCFSA-N 2 0 352.567 3.205 20 0 FGADRP CC(C)[N@H+](C)CC1CCN(C(=O)NC[C@@H](C)[NH+]2CCCC[C@H]2C)CC1 ZINC000615672206 714543455 /nfs/dbraw/zinc/54/34/55/714543455.db2.gz NRNYLOACELFCIL-QZTJIDSGSA-N 2 0 352.567 3.011 20 0 FGADRP C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)CC[C@@H]1CCC[NH2+]C1 ZINC000621656729 715014511 /nfs/dbraw/zinc/01/45/11/715014511.db2.gz WAZGOLSRZOVRGH-INIZCTEOSA-N 2 0 351.922 3.010 20 0 FGADRP C[C@H]([NH2+]CCc1c[nH]c2ccc(Br)cc12)[C@@H]1CCC[NH2+]C1 ZINC000643480333 718036172 /nfs/dbraw/zinc/03/61/72/718036172.db2.gz WQONVMXBNUMGED-QWHCGFSZSA-N 2 0 350.304 3.451 20 0 FGADRP C[NH+]1CCN(c2ccc(C[NH2+]Cc3csc(C(F)(F)F)c3)cn2)CC1 ZINC000623352711 715316975 /nfs/dbraw/zinc/31/69/75/715316975.db2.gz KRUIBLRPXWTOKM-UHFFFAOYSA-N 2 0 370.444 3.204 20 0 FGADRP Cc1cc(C[NH2+]CCCC[NH+]2C[C@H](C)O[C@@H](C)C2)ncc1Br ZINC000623424822 715333784 /nfs/dbraw/zinc/33/37/84/715333784.db2.gz GIRYIDQGCQTGJN-GJZGRUSLSA-N 2 0 370.335 3.132 20 0 FGADRP CC[NH+]1CCC(CC[NH2+][C@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2C)CC1 ZINC000779071905 724387562 /nfs/dbraw/zinc/38/75/62/724387562.db2.gz MOIAGKNVCCJDPT-AEFFLSMTSA-N 2 0 353.551 3.344 20 0 FGADRP C[C@H]1[C@H]([NH2+]C2CC[NH+](CC3CC3)CC2)CCCN1C(=O)OC(C)(C)C ZINC000779077843 724387988 /nfs/dbraw/zinc/38/79/88/724387988.db2.gz XVGGBNAWQIOJHR-MAUKXSAKSA-N 2 0 351.535 3.238 20 0 FGADRP Cc1ccc(Br)cc1[C@@H](C)[NH2+][C@H](C)CN1CC[NH+](C)CC1 ZINC000623889928 715425537 /nfs/dbraw/zinc/42/55/37/715425537.db2.gz ZOOAAWNMVVNHAW-HUUCEWRRSA-N 2 0 354.336 3.044 20 0 FGADRP C[NH+](C)C[C@@H](NC(=O)NC[C@@H]1CCCC[NH2+]1)c1ccc(Cl)c(Cl)c1 ZINC000627066319 715991691 /nfs/dbraw/zinc/99/16/91/715991691.db2.gz RULDIDILCSKTRA-XJKSGUPXSA-N 2 0 373.328 3.037 20 0 FGADRP C[C@H](CCC[NH3+])NC(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000627096031 715995994 /nfs/dbraw/zinc/99/59/94/715995994.db2.gz PFBGGUAUJTTYQZ-ABAIWWIYSA-N 2 0 361.317 3.023 20 0 FGADRP FC(F)(F)c1cccc(CC[NH+]2CCC(C[NH+]3CCOCC3)CC2)c1 ZINC000628133697 716113545 /nfs/dbraw/zinc/11/35/45/716113545.db2.gz NBKIYBVVMRJOKB-UHFFFAOYSA-N 2 0 356.432 3.292 20 0 FGADRP COc1ccc(C[C@H](C)C[N@@H+]2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1F ZINC000629654863 716329843 /nfs/dbraw/zinc/32/98/43/716329843.db2.gz IXWDHXPKIZKCJO-QEJZJMRPSA-N 2 0 362.411 3.472 20 0 FGADRP Clc1cc(Br)cnc1C[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000631122247 716569343 /nfs/dbraw/zinc/56/93/43/716569343.db2.gz YUSRBHQHJBKQID-UHFFFAOYSA-N 2 0 358.711 3.462 20 0 FGADRP Fc1cc(Br)cnc1CN1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000631826459 716686754 /nfs/dbraw/zinc/68/67/54/716686754.db2.gz NYOMSHCKWNPACD-OLZOCXBDSA-N 2 0 356.283 3.195 20 0 FGADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000635013840 717139969 /nfs/dbraw/zinc/13/99/69/717139969.db2.gz WQVKEXKBXBSAAH-NUJGCVRESA-N 2 0 352.544 3.094 20 0 FGADRP C[N@@H+]1CC[C@H](CC(=O)Nc2cc(Cl)ccc2OC2CC[NH+](C)CC2)C1 ZINC000636006390 717222214 /nfs/dbraw/zinc/22/22/14/717222214.db2.gz XPTQIMWFNQTSHK-CQSZACIVSA-N 2 0 365.905 3.093 20 0 FGADRP CC[NH2+]Cc1cccc(NC(=O)[C@H]([NH3+])c2ccc(C(F)(F)F)cc2)c1 ZINC000637809105 717380241 /nfs/dbraw/zinc/38/02/41/717380241.db2.gz PSTNPDFQGWHIIN-MRXNPFEDSA-N 2 0 351.372 3.453 20 0 FGADRP C[C@@H]([NH3+])c1ccc(CNC(=O)[C@@H]([NH3+])c2ccc(C(F)(F)F)cc2)cc1 ZINC000637859942 717383864 /nfs/dbraw/zinc/38/38/64/717383864.db2.gz IYAPGTSFGMYTMH-BZNIZROVSA-N 2 0 351.372 3.041 20 0 FGADRP C[C@@H]([NH3+])c1ccc(CNC(=O)[C@H]([NH3+])c2ccc(C(F)(F)F)cc2)cc1 ZINC000637859939 717384138 /nfs/dbraw/zinc/38/41/38/717384138.db2.gz IYAPGTSFGMYTMH-BDJLRTHQSA-N 2 0 351.372 3.041 20 0 FGADRP COCCc1ncc(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)s1 ZINC000638131104 717410617 /nfs/dbraw/zinc/41/06/17/717410617.db2.gz JLCYPNFJTDFPDF-UHFFFAOYSA-N 2 0 351.560 3.420 20 0 FGADRP Cc1cc(C[N@@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)sn1 ZINC000638137690 717411673 /nfs/dbraw/zinc/41/16/73/717411673.db2.gz ZADBBZRRKSREKB-UHFFFAOYSA-N 2 0 350.576 3.080 20 0 FGADRP C[C@H]1C[C@H]([NH2+]Cc2cccc(OCC[N@H+](C)C3CCOCC3)c2)CS1 ZINC000638508984 717453291 /nfs/dbraw/zinc/45/32/91/717453291.db2.gz PUBRKCFDCCWNLM-WMZOPIPTSA-N 2 0 364.555 3.160 20 0 FGADRP C[C@H]([NH2+][C@@H]1CC[C@@](O)(C(F)(F)F)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000644553372 718123374 /nfs/dbraw/zinc/12/33/74/718123374.db2.gz KWPYCQLMKVKYSI-OWLYRPNTSA-N 2 0 356.432 3.333 20 0 FGADRP CCCN(C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1)[C@@H]1CC[N@H+](C)C1 ZINC000645118273 718183855 /nfs/dbraw/zinc/18/38/55/718183855.db2.gz NZKIAFUPVYDDGG-SJORKVTESA-N 2 0 364.559 3.011 20 0 FGADRP CCCN(C(=O)NC[C@H](c1ccsc1)[NH+](CC)CC)[C@@H]1CC[N@H+](C)C1 ZINC000645159432 718188076 /nfs/dbraw/zinc/18/80/76/718188076.db2.gz ALONTSRWORKSLT-QZTJIDSGSA-N 2 0 366.575 3.257 20 0 FGADRP CC[C@@H](NC(=O)C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1)c1ccc(Cl)cc1 ZINC000647970682 718390716 /nfs/dbraw/zinc/39/07/16/718390716.db2.gz WBJYRDRXFJCTCW-IEBWSBKVSA-N 2 0 363.933 3.229 20 0 FGADRP C[C@H](C(=O)Nc1ccc(F)c(F)c1)[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647976713 718391450 /nfs/dbraw/zinc/39/14/50/718391450.db2.gz SKBQNDROFQATJE-KFWWJZLASA-N 2 0 351.441 3.003 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)[C@H]([NH3+])c2cccc(Cl)c2)C1 ZINC000649311555 718503315 /nfs/dbraw/zinc/50/33/15/718503315.db2.gz ZFEAMDCAHLFXLJ-JTDSTZFVSA-N 2 0 363.933 3.453 20 0 FGADRP CC(C)([NH3+])CCC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1 ZINC000649331634 718504988 /nfs/dbraw/zinc/50/49/88/718504988.db2.gz HUVDKPMEVOMCDQ-KRWDZBQOSA-N 2 0 351.922 3.328 20 0 FGADRP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)CCC(=O)N3CCCCC3)C2)s1 ZINC000649603278 718536879 /nfs/dbraw/zinc/53/68/79/718536879.db2.gz DSLNDMWFLBEMBQ-GOSISDBHSA-N 2 0 363.571 3.213 20 0 FGADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@H+](Cc3cc(Br)ccc3F)C2)C1 ZINC000650705821 718717012 /nfs/dbraw/zinc/71/70/12/718717012.db2.gz XIOZUIBIYSHPCV-MJEQTWJJSA-N 2 0 371.294 3.307 20 0 FGADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@H+](Cc3ccc(Br)c(F)c3)C2)C1 ZINC000650708176 718718160 /nfs/dbraw/zinc/71/81/60/718718160.db2.gz UVWRAHKPDASCDP-VBQJREDUSA-N 2 0 371.294 3.307 20 0 FGADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2Cc2sccc2Br)C1 ZINC000650723789 718721184 /nfs/dbraw/zinc/72/11/84/718721184.db2.gz UCRIPDFREITPNK-XBFCOCLRSA-N 2 0 359.333 3.371 20 0 FGADRP CC[N@H+](CCCNC(=O)NCC[C@@H]1CCC[NH+](C)C1)C1CCCCC1 ZINC000651153077 718774266 /nfs/dbraw/zinc/77/42/66/718774266.db2.gz YJHSZKUXQDOCBW-SFHVURJKSA-N 2 0 352.567 3.062 20 0 FGADRP Cc1cc(Br)c(C[NH2+][C@@H]2CCN(C3CC[NH+](C)CC3)C2)s1 ZINC000651582465 718835174 /nfs/dbraw/zinc/83/51/74/718835174.db2.gz GMIPWZLIDISRDT-CYBMUJFWSA-N 2 0 372.376 3.077 20 0 FGADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@H+](CCOc3ccc(Cl)c(F)c3)C2)C1 ZINC000652350378 718935212 /nfs/dbraw/zinc/93/52/12/718935212.db2.gz WHHYDQMLEGPQNF-IYOUNJFTSA-N 2 0 356.869 3.076 20 0 FGADRP C[C@H]1CCC[N@H+](CCC(=O)Nc2ccc(Br)cc2)[C@H]1CC[NH3+] ZINC000652354266 718935896 /nfs/dbraw/zinc/93/58/96/718935896.db2.gz RJBVKJLBEQMULB-BBRMVZONSA-N 2 0 368.319 3.227 20 0 FGADRP C[C@@H]1CCC[N@H+](CCC(=O)Nc2ccc(Br)cc2)[C@@H]1CC[NH3+] ZINC000652354268 718936331 /nfs/dbraw/zinc/93/63/31/718936331.db2.gz RJBVKJLBEQMULB-CZUORRHYSA-N 2 0 368.319 3.227 20 0 FGADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2CCOc2ccc(F)cc2Cl)C1 ZINC000652363640 718937400 /nfs/dbraw/zinc/93/74/00/718937400.db2.gz JWYONGVTZRXCBD-KYJSFNMBSA-N 2 0 356.869 3.219 20 0 FGADRP C[C@@](C[NH3+])(NC(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1)C1CC1 ZINC000652612825 718966056 /nfs/dbraw/zinc/96/60/56/718966056.db2.gz CKINSIGWLAWDRX-IBGZPJMESA-N 2 0 362.543 3.123 20 0 FGADRP c1ccc([C@H]2C[NH2+]C[C@@]23CCN(c2ncccc2C[NH+]2CCCC2)C3)cc1 ZINC001164619297 719049029 /nfs/dbraw/zinc/04/90/29/719049029.db2.gz CLDHQQCPGGRZIT-FYYLOGMGSA-N 2 0 362.521 3.261 20 0 FGADRP Cc1ncsc1-c1ccc(C[NH2+]CCCN2CCC[N@@H+](C)CC2)cc1 ZINC000657349758 719631428 /nfs/dbraw/zinc/63/14/28/719631428.db2.gz MAILNNHZOSWMIQ-UHFFFAOYSA-N 2 0 358.555 3.236 20 0 FGADRP Cc1ccncc1CC[NH2+]Cc1c(Cl)cccc1N1CC[NH+](C)CC1 ZINC000657589376 719680383 /nfs/dbraw/zinc/68/03/83/719680383.db2.gz XKJOIENEEVEVQT-UHFFFAOYSA-N 2 0 358.917 3.128 20 0 FGADRP FC1(F)C[C@@H]1OCC[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000658166590 719765059 /nfs/dbraw/zinc/76/50/59/719765059.db2.gz BOGQNOIVJIIKDL-MKXGPGLRSA-N 2 0 350.453 3.301 20 0 FGADRP O=C1Nc2ccccc2S[C@@H]1CC[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000659842951 719943636 /nfs/dbraw/zinc/94/36/36/719943636.db2.gz JBJYAAVXYPNBPN-LJQANCHMSA-N 2 0 359.539 3.297 20 0 FGADRP CO[C@H](C[NH+]1CCC(N2CC[NH+](C(C)C)CC2)CC1)C1CCCCC1 ZINC000660149566 719997536 /nfs/dbraw/zinc/99/75/36/719997536.db2.gz CTVHWMJYZVQGLU-OAQYLSRUSA-N 2 0 351.579 3.072 20 0 FGADRP COCC[N@H+](C)CCCC1CCN(CC[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000660159452 719999288 /nfs/dbraw/zinc/99/92/88/719999288.db2.gz UJEQETVPKCOMSJ-WOJBJXKFSA-N 2 0 353.595 3.035 20 0 FGADRP CC1(C)CC(NC(=O)N[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC(C)(C)[NH2+]1 ZINC000660284087 720024644 /nfs/dbraw/zinc/02/46/44/720024644.db2.gz STYLOFSRDBKKMN-OAHLLOKOSA-N 2 0 350.551 3.002 20 0 FGADRP C[NH+](C)[C@H](CNC(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1)c1ccsc1 ZINC000660312050 720027496 /nfs/dbraw/zinc/02/74/96/720027496.db2.gz NQKXRSCKJDCTSN-SJLPKXTDSA-N 2 0 364.559 3.057 20 0 FGADRP O=C(CC[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1)Nc1cc(F)cc(F)c1 ZINC000662293332 720411071 /nfs/dbraw/zinc/41/10/71/720411071.db2.gz QMTGXDMZVMQFNF-OAHLLOKOSA-N 2 0 351.441 3.005 20 0 FGADRP CC[NH+](CC)CCN(Cc1ccc(Cl)cc1)C(=O)CC[C@@H]1CC[NH2+]C1 ZINC000662656238 720450174 /nfs/dbraw/zinc/45/01/74/720450174.db2.gz OABULOOXPSQKRP-QGZVFWFLSA-N 2 0 365.949 3.400 20 0 FGADRP C[C@H](CCNC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)[NH+](C)C ZINC000663456383 720517439 /nfs/dbraw/zinc/51/74/39/720517439.db2.gz BIHAEVFFCAKQBN-CRAIPNDOSA-N 2 0 366.937 3.116 20 0 FGADRP COCCc1nc(C)c([C@@H](C)[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)s1 ZINC000663467096 720517767 /nfs/dbraw/zinc/51/77/67/720517767.db2.gz CTQCHEIHSWIAHQ-RHSMWYFYSA-N 2 0 351.560 3.413 20 0 FGADRP CC(C)[C@H]([NH3+])CC[NH2+][C@@H](C)CC(=O)Nc1cccc(Br)c1 ZINC000663501671 720520307 /nfs/dbraw/zinc/52/03/07/720520307.db2.gz BEJARBSAWVEORL-SWLSCSKDSA-N 2 0 356.308 3.129 20 0 FGADRP CCN(C(=O)NC[C@@H](c1ccsc1)[NH+](CC)CC)[C@@H]1CC[N@H+](CC)C1 ZINC000663620729 720530915 /nfs/dbraw/zinc/53/09/15/720530915.db2.gz RLNKEVLYQLYHQL-MSOLQXFVSA-N 2 0 366.575 3.257 20 0 FGADRP CC(C)(C)N(c1ccc(C[NH+]2CCCC2)cn1)[C@H]1COC2(C1)CC[NH2+]CC2 ZINC001164736192 720546060 /nfs/dbraw/zinc/54/60/60/720546060.db2.gz VJNJJSKIDBTESM-LJQANCHMSA-N 2 0 372.557 3.193 20 0 FGADRP C[NH2+]CCCC(=O)N1CCC([NH2+][C@@H](C)c2ccc(SC)c(F)c2)CC1 ZINC000665287654 720750536 /nfs/dbraw/zinc/75/05/36/720750536.db2.gz QUKNOQNSHOKSJJ-AWEZNQCLSA-N 2 0 367.534 3.189 20 0 FGADRP C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000666954093 721005120 /nfs/dbraw/zinc/00/51/20/721005120.db2.gz PMOORBMJWGHQCM-WFASDCNBSA-N 2 0 355.404 3.154 20 0 FGADRP C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000666954092 721005285 /nfs/dbraw/zinc/00/52/85/721005285.db2.gz PMOORBMJWGHQCM-SWLSCSKDSA-N 2 0 355.404 3.154 20 0 FGADRP Fc1cncc(Br)c1CN1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000667708367 721161715 /nfs/dbraw/zinc/16/17/15/721161715.db2.gz AFEUKALRTQYTTB-SJCJKPOMSA-N 2 0 368.294 3.432 20 0 FGADRP CC(C)[NH2+][C@H]1CCCN(C(=O)Nc2cc(C[NH3+])cc(C(F)(F)F)c2)C1 ZINC000667826113 721178898 /nfs/dbraw/zinc/17/88/98/721178898.db2.gz VOWROKACINRGEQ-AWEZNQCLSA-N 2 0 358.408 3.158 20 0 FGADRP CC(C)(C)OC(=O)N1CCC[C@H]([NH2+]C2CC[NH+](C3CCC3)CC2)CC1 ZINC000783503574 724759316 /nfs/dbraw/zinc/75/93/16/724759316.db2.gz CVCHPDWSNRGOQZ-INIZCTEOSA-N 2 0 351.535 3.383 20 0 FGADRP Cc1cc([C@H](C)[NH2+]CC(C)(C)N2CC[NH+](C)CC2)sc1Br ZINC000671706826 721609810 /nfs/dbraw/zinc/60/98/10/721609810.db2.gz NTVYQORMOJDCLU-ZDUSSCGKSA-N 2 0 374.392 3.496 20 0 FGADRP C[C@H](CCc1ccc(F)cc1F)[NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000671747345 721612495 /nfs/dbraw/zinc/61/24/95/721612495.db2.gz JTLVPGLOXLDION-QAPCUYQASA-N 2 0 351.485 3.044 20 0 FGADRP CN(CC[N@H+](C)Cc1ccc(OC(F)(F)F)cc1)C1CC[NH+](C)CC1 ZINC000674322195 721687218 /nfs/dbraw/zinc/68/72/18/721687218.db2.gz MJAQSYRUJPYGNN-UHFFFAOYSA-N 2 0 359.436 3.043 20 0 FGADRP CC[C@H](C[NH+]1CCCC1)NC(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000675191744 721737181 /nfs/dbraw/zinc/73/71/81/721737181.db2.gz AXBBDTBFRIGXJP-MSOLQXFVSA-N 2 0 366.937 3.116 20 0 FGADRP C[C@H](C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)Oc1ccc(Br)cc1 ZINC000677241521 721875832 /nfs/dbraw/zinc/87/58/32/721875832.db2.gz QCFPEJOLZDZMCP-KBMXLJTQSA-N 2 0 353.304 3.433 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@H](OC)c2ccc(F)cc2)[C@@H](C)C1 ZINC000678594681 721966053 /nfs/dbraw/zinc/96/60/53/721966053.db2.gz JHBPJBMWYUBQTK-VDGAXYAQSA-N 2 0 352.494 3.240 20 0 FGADRP Cc1cc(C(F)(F)F)ccc1C[NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000682373402 722243945 /nfs/dbraw/zinc/24/39/45/722243945.db2.gz HQLKMNOTUNYCQY-KRWDZBQOSA-N 2 0 355.448 3.272 20 0 FGADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)Nc1cc(Cl)c(F)c(Cl)c1 ZINC000683156362 722283190 /nfs/dbraw/zinc/28/31/90/722283190.db2.gz MVMLRGXEBLJKCS-UHFFFAOYSA-N 2 0 365.280 3.090 20 0 FGADRP CC(C)[C@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)c1cc(F)ccc1F ZINC000684553552 722346293 /nfs/dbraw/zinc/34/62/93/722346293.db2.gz RTBIMLJEOYAJJM-JXFKEZNVSA-N 2 0 351.485 3.420 20 0 FGADRP C[C@H](C[NH2+]CC(C)(C)N1CC[NH+](C)CC1)c1ccc(C(F)(F)F)cc1 ZINC000685421231 722384071 /nfs/dbraw/zinc/38/40/71/722384071.db2.gz HSIBIWMQHXPQAY-OAHLLOKOSA-N 2 0 357.464 3.425 20 0 FGADRP C[NH+]1CCC(CC[NH2+][C@H]2C[C@H]3C[C@@H](C2)N(C(=O)OC(C)(C)C)C3)CC1 ZINC000707911977 722412353 /nfs/dbraw/zinc/41/23/53/722412353.db2.gz AOFNNIOFQBJQFW-BZSNNMDCSA-N 2 0 351.535 3.096 20 0 FGADRP C[C@H]([NH2+]C1CCC([NH+](C)C)CC1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000715572857 722415972 /nfs/dbraw/zinc/41/59/72/722415972.db2.gz SIZJATMXCWQDCB-KNXWPPODSA-N 2 0 353.551 3.484 20 0 FGADRP C[C@](O)(C[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(F)(F)C(F)(F)F ZINC000724115761 722420937 /nfs/dbraw/zinc/42/09/37/722420937.db2.gz NJDRXQRYJWWFDT-CABCVRRESA-N 2 0 366.374 3.047 20 0 FGADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=S)NCC(C)(C)C[NH+](C)C ZINC000727075005 722440929 /nfs/dbraw/zinc/44/09/29/722440929.db2.gz WCAZFHUWEFYYLW-UHFFFAOYSA-N 2 0 364.603 3.079 20 0 FGADRP CC(C)[NH+]1CCN(C2CC[NH+](CCOC3CCCCCC3)CC2)CC1 ZINC000761123473 723123865 /nfs/dbraw/zinc/12/38/65/723123865.db2.gz OJMZTTLZFCYADH-UHFFFAOYSA-N 2 0 351.579 3.216 20 0 FGADRP CC(C)(C[NH2+][C@@H]1CCC[C@@H]1CNC(=O)OC(C)(C)C)C[NH+]1CCCC1 ZINC000790748123 723173127 /nfs/dbraw/zinc/17/31/27/723173127.db2.gz JUSXWLWPLCNWIM-IAGOWNOFSA-N 2 0 353.551 3.391 20 0 FGADRP CCOC(=O)C(F)(F)[C@H]1CCC[C@@H]([NH2+]CC(C)(C)C[NH+]2CCCC2)C1 ZINC000790749136 723173473 /nfs/dbraw/zinc/17/34/73/723173473.db2.gz CXWSHUWLCUXDLD-JKSUJKDBSA-N 2 0 360.489 3.455 20 0 FGADRP C[NH+](C)CCCOc1ccc(C[NH2+][C@@H]2CC[C@@H]3SCCS[C@H]23)cc1 ZINC000762613950 723262306 /nfs/dbraw/zinc/26/23/06/723262306.db2.gz LHVATTOBIWLSRZ-CEXWTWQISA-N 2 0 366.596 3.486 20 0 FGADRP C[NH+](C)C1(C(=O)NC[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)CCC1 ZINC000763222549 723323757 /nfs/dbraw/zinc/32/37/57/723323757.db2.gz PUNCLDIGPLVPIF-RHSMWYFYSA-N 2 0 367.896 3.072 20 0 FGADRP CCC[NH+]1CCN(c2ccc(NC(=O)[C@H](CC)[NH+](C)C)cc2Cl)CC1 ZINC000765060847 723474660 /nfs/dbraw/zinc/47/46/60/723474660.db2.gz UDVMWYDCCOHLEF-KRWDZBQOSA-N 2 0 366.937 3.151 20 0 FGADRP CC[NH+]1CCC(C[NH2+][C@@H](C)c2ccc(S(=O)(=O)C(F)F)cc2)CC1 ZINC000765767730 723539335 /nfs/dbraw/zinc/53/93/35/723539335.db2.gz HCUHBPFJVYZPAE-ZDUSSCGKSA-N 2 0 360.470 3.065 20 0 FGADRP C[N@@H+]1CC[C@H]([NH2+]CC2CCN(C(=O)OC(C)(C)C)CC2)[C@H]2CCC[C@@H]21 ZINC000796739065 723652745 /nfs/dbraw/zinc/65/27/45/723652745.db2.gz PEOUUDRNYCNZDG-SQNIBIBYSA-N 2 0 351.535 3.096 20 0 FGADRP C[C@@H]1[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)CCCN1C(=O)OC(C)(C)C ZINC000796952955 723660993 /nfs/dbraw/zinc/66/09/93/723660993.db2.gz JUGRTGXNQMOOBR-CWQOZTLDSA-N 2 0 351.535 3.237 20 0 FGADRP C[N@H+](CC[C@@H]1CCCC[NH+]1C)C[C@@]1(C)CCN(C(=O)OC(C)(C)C)C1 ZINC000798944834 723977241 /nfs/dbraw/zinc/97/72/41/723977241.db2.gz DIPOIAZLNICHQQ-FXAWDEMLSA-N 2 0 353.551 3.440 20 0 FGADRP C[NH+]1CCC2(CCC[N@H+](C[C@@H](O)c3cccc(Br)c3)C2)CC1 ZINC000799176767 723995258 /nfs/dbraw/zinc/99/52/58/723995258.db2.gz CMOXJWUHXVLWMP-QGZVFWFLSA-N 2 0 367.331 3.290 20 0 FGADRP C[N@H+](CCC[NH+]1CCCC1)CC[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000801953216 724349966 /nfs/dbraw/zinc/34/99/66/724349966.db2.gz LEAFUYMAUGKLKN-SFHVURJKSA-N 2 0 353.551 3.441 20 0 FGADRP C[C@H](C[NH+]1CCC(C[NH+]2CCCCCC2)CC1)NC(=O)OC(C)(C)C ZINC000785442571 724912965 /nfs/dbraw/zinc/91/29/65/724912965.db2.gz OKMNKNNEHMALBY-QGZVFWFLSA-N 2 0 353.551 3.488 20 0 FGADRP Cn1ncc(Br)c1C[NH2+]C1CCC([NH+]2CCCCC2)CC1 ZINC000785481243 724915713 /nfs/dbraw/zinc/91/57/13/724915713.db2.gz FXNHCMBLMCYPQQ-UHFFFAOYSA-N 2 0 355.324 3.069 20 0 FGADRP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@H](C)C1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000788525038 725070406 /nfs/dbraw/zinc/07/04/06/725070406.db2.gz AYTASEJNIOJDCF-IRXDYDNUSA-N 2 0 353.551 3.344 20 0 FGADRP C[N@@H+]1CCC[C@H]2C[NH+](CCN(C(=O)OC(C)(C)C)C(C)(C)C)CC[C@@H]21 ZINC000809596211 725250735 /nfs/dbraw/zinc/25/07/35/725250735.db2.gz WSXIBBCLJFWUSF-IRXDYDNUSA-N 2 0 353.551 3.438 20 0 FGADRP C[C@H]1C[C@H](C)C[NH+](CCCC[NH2+]C2CC(NC(=O)OC(C)(C)C)C2)C1 ZINC000809605536 725251602 /nfs/dbraw/zinc/25/16/02/725251602.db2.gz DMMAGVDDNGLNKI-VYMRPNJYSA-N 2 0 353.551 3.390 20 0 FGADRP C[NH+](C)C1CC[NH+](C[C@H]2CC[C@H](CNC(=O)OC(C)(C)C)CC2)CC1 ZINC000809935355 725276914 /nfs/dbraw/zinc/27/69/14/725276914.db2.gz LEOOYUMUIQOBKA-QAQDUYKDSA-N 2 0 353.551 3.344 20 0 FGADRP CC(C)C[C@H](C[NH2+]CC1CC[NH+](C2CC2)CC1)NC(=O)OC(C)(C)C ZINC000811496816 725369524 /nfs/dbraw/zinc/36/95/24/725369524.db2.gz MTWXDUGXVDUEKP-QGZVFWFLSA-N 2 0 353.551 3.390 20 0 FGADRP CSC1(C[NH2+]C[C@@]2(C)CCN(C(=O)OC(C)(C)C)C2)CC[NH+](C)CC1 ZINC000811513501 725371318 /nfs/dbraw/zinc/37/13/18/725371318.db2.gz IWFASCZTJSBROH-GOSISDBHSA-N 2 0 371.591 3.051 20 0 FGADRP C[C@@H]([NH2+]CCCCC[NH+]1CCCCC1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000816547423 727173926 /nfs/dbraw/zinc/17/39/26/727173926.db2.gz VQKXYSOWRWZVBA-QGZVFWFLSA-N 2 0 353.551 3.488 20 0 FGADRP C[C@@H]1C[C@H](C)[N@H+](CC[C@@H]2CCC[NH+]2C)C[C@@H]1CNC(=O)OC(C)(C)C ZINC000817290475 727236838 /nfs/dbraw/zinc/23/68/38/727236838.db2.gz DBAKYKORICLISL-OWSLCNJRSA-N 2 0 353.551 3.342 20 0 FGADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H](C)[C@H](O)c1c(F)cccc1Cl ZINC000817916977 727287766 /nfs/dbraw/zinc/28/77/66/727287766.db2.gz CAYCUXDNJVXZIE-RSNWOKGLSA-N 2 0 351.853 3.414 20 0 FGADRP COc1ccc([C@@H](C)[NH2+][C@H]2CCN(C3CC[NH+](C)CC3)C2)c(Cl)c1 ZINC000818330587 727307865 /nfs/dbraw/zinc/30/78/65/727307865.db2.gz AMNDCPUQIOOUGC-CABCVRRESA-N 2 0 351.922 3.168 20 0 FGADRP CC(C)C[NH+]1CCC([NH2+]C[C@H](O)c2ccc(F)c(Br)c2)CC1 ZINC000818980752 727333699 /nfs/dbraw/zinc/33/36/99/727333699.db2.gz NDDIJRPMJCUFII-KRWDZBQOSA-N 2 0 373.310 3.332 20 0 FGADRP C[NH+](C)CCOc1ccc(CC[NH2+]C[C@H](O)c2cccc(Cl)c2)cc1 ZINC000819017370 727338641 /nfs/dbraw/zinc/33/86/41/727338641.db2.gz HYRHTKKHHLMWGK-FQEVSTJZSA-N 2 0 362.901 3.146 20 0 FGADRP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]C[C@H](O)c2ccc(F)c(Br)c2)C1 ZINC000819135448 727351055 /nfs/dbraw/zinc/35/10/55/727351055.db2.gz XDHIZFPEAHIDAS-ZENOOKHLSA-N 2 0 359.283 3.084 20 0 FGADRP C[C@@H]1C[N@H+](CCC[NH2+]C[C@@H](O)c2ccc(Cl)cc2Cl)CCCO1 ZINC000819265034 727362582 /nfs/dbraw/zinc/36/25/82/727362582.db2.gz LAQSBVIBSAOCAJ-CXAGYDPISA-N 2 0 361.313 3.117 20 0 FGADRP CC(C)[C@@H](CNC(=O)OC(C)(C)C)C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000823465422 729283064 /nfs/dbraw/zinc/28/30/64/729283064.db2.gz YBRDNZXHMOTDCC-ROUUACIJSA-N 2 0 353.551 3.201 20 0 FGADRP O[C@H]1CC[N@H+](Cc2ccc(C[NH2+]CCc3ccc(F)cc3Cl)cc2)C1 ZINC000826943702 729419566 /nfs/dbraw/zinc/41/95/66/729419566.db2.gz YOLDMKFNKYCTDR-IBGZPJMESA-N 2 0 362.876 3.378 20 0 FGADRP [NH3+]Cc1cccc(C(=O)NC[C@H](c2cccc(Cl)c2)[NH+]2CCCC2)c1 ZINC000827008864 729421524 /nfs/dbraw/zinc/42/15/24/729421524.db2.gz YCJLWGXIVWBWQT-LJQANCHMSA-N 2 0 357.885 3.366 20 0 FGADRP CC1(C)[C@H](O)CC[NH+]1Cc1cc(Cl)cc(C[N@H+]2CC[C@@H](O)C2(C)C)c1 ZINC000829973737 729526655 /nfs/dbraw/zinc/52/66/55/729526655.db2.gz KJTLKZSUHGFASP-QZTJIDSGSA-N 2 0 366.933 3.030 20 0 FGADRP CC[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000834513350 729808948 /nfs/dbraw/zinc/80/89/48/729808948.db2.gz KYBYIXLCGXZHLA-XSLAGTTESA-N 2 0 351.535 3.381 20 0 FGADRP CC[C@@H]([NH2+]CCC1CC[NH+](C)CC1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000834567097 729815065 /nfs/dbraw/zinc/81/50/65/729815065.db2.gz YBUORVHGRZTIRV-QZTJIDSGSA-N 2 0 353.551 3.486 20 0 FGADRP CSC1(C[NH2+][C@@H](C)[C@@H]2CCCN2C(=O)OC(C)(C)C)CC[NH+](C)CC1 ZINC000834806275 729835670 /nfs/dbraw/zinc/83/56/70/729835670.db2.gz AGQUIILQOKDDLQ-HOTGVXAUSA-N 2 0 371.591 3.191 20 0 FGADRP C[C@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000840810120 730177513 /nfs/dbraw/zinc/17/75/13/730177513.db2.gz QBVRVWDTVQKFHU-DLBZAZTESA-N 2 0 353.551 3.344 20 0 FGADRP CC[C@@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000840810345 730177654 /nfs/dbraw/zinc/17/76/54/730177654.db2.gz RWAWHJQBEIXLAU-RCCFBDPRSA-N 2 0 353.551 3.486 20 0 FGADRP FC1(F)CCC([NH2+]CCCN2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000842667369 730527337 /nfs/dbraw/zinc/52/73/37/730527337.db2.gz HUTNQIYQYGJQID-UHFFFAOYSA-N 2 0 351.485 3.362 20 0 FGADRP Cc1nn(Cc2ccccc2)c(Cl)c1C[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000843120091 730588151 /nfs/dbraw/zinc/58/81/51/730588151.db2.gz VMQFHILUVAJFIC-UHFFFAOYSA-N 2 0 358.917 3.469 20 0 FGADRP [NH3+]CCCCCC[NH2+]Cc1c(F)ccc(I)c1F ZINC000843130006 730589303 /nfs/dbraw/zinc/58/93/03/730589303.db2.gz WNIPYIRQUMAGSI-UHFFFAOYSA-N 2 0 368.209 3.178 20 0 FGADRP C[N@H+](CCC(=O)Nc1ccc(Br)cc1F)C1CCC([NH3+])CC1 ZINC000843355434 730609827 /nfs/dbraw/zinc/60/98/27/730609827.db2.gz OLPNNTNKXDNZAR-UHFFFAOYSA-N 2 0 372.282 3.119 20 0 FGADRP C[C@@H]1C[C@@H]([NH2+]C2CC[NH+](CC3CC3)CC2)CN(C(=O)OC(C)(C)C)C1 ZINC000843398371 730614474 /nfs/dbraw/zinc/61/44/74/730614474.db2.gz IBWKPPQAEBDXLF-CRAIPNDOSA-N 2 0 351.535 3.096 20 0 FGADRP Cc1cc([C@H]([NH3+])CC(=O)N(CC[NH+](C)C)c2ccccc2)cc(Cl)n1 ZINC000844178481 730690789 /nfs/dbraw/zinc/69/07/89/730690789.db2.gz WWHOWBSWRXHORM-QGZVFWFLSA-N 2 0 360.889 3.028 20 0 FGADRP [NH3+]CCCCCC[N@@H+]1CCC[C@H](CNC(=O)Nc2cccc(F)c2)C1 ZINC000846218851 730937336 /nfs/dbraw/zinc/93/73/36/730937336.db2.gz YWWWMWSHQFJNSS-MRXNPFEDSA-N 2 0 350.482 3.178 20 0 FGADRP CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]([NH2+]C2CC[NH+](C3CCC3)CC2)C1 ZINC000848526454 731175263 /nfs/dbraw/zinc/17/52/63/731175263.db2.gz XTLVXGVUFNAWSO-IAGOWNOFSA-N 2 0 351.535 3.429 20 0 FGADRP CC(C)C[N@@H+]1CC[C@H](CNC(=[NH2+])Nc2cccc(OC(F)(F)F)c2)C1 ZINC000849083760 731227214 /nfs/dbraw/zinc/22/72/14/731227214.db2.gz HRZHLUURMBSRIW-CYBMUJFWSA-N 2 0 358.408 3.499 20 0 FGADRP [NH2+]=C(NCC1CC[NH+](C2CC2)CC1)Nc1cccc(OC(F)(F)F)c1 ZINC000849109012 731230201 /nfs/dbraw/zinc/23/02/01/731230201.db2.gz MDBWNBQQJZTKNU-UHFFFAOYSA-N 2 0 356.392 3.396 20 0 FGADRP CCOC(=O)NC1CCC([NH2+]CCCC[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000850425563 731355980 /nfs/dbraw/zinc/35/59/80/731355980.db2.gz UQDKJDZIDVOLBK-YXWAVELNSA-N 2 0 353.551 3.391 20 0 FGADRP CCOC(=O)NC1CCC([NH2+]C[C@@H]2CCC[N@@H+]2C2CCCCC2)CC1 ZINC000850467397 731359730 /nfs/dbraw/zinc/35/97/30/731359730.db2.gz VKXLGGCBDUDERW-TVPLGVNVSA-N 2 0 351.535 3.430 20 0 FGADRP Cc1nccn1CCC[N@H+]1CC[C@@H](C)C[C@H]1CNC(=O)OC(C)(C)C ZINC000852603873 731608117 /nfs/dbraw/zinc/60/81/17/731608117.db2.gz MDGDGTOJDWUHOU-WBVHZDCISA-N 2 0 350.507 3.207 20 0 FGADRP Cn1cc(C[NH2+]CCCCCCC[NH+]2CCCC2)c(Br)n1 ZINC000858127669 732183201 /nfs/dbraw/zinc/18/32/01/732183201.db2.gz MDBXWXLQUWQBJK-UHFFFAOYSA-N 2 0 357.340 3.319 20 0 FGADRP CCC[NH+]1CCC([NH2+]C[C@@H]2CC(F)(F)CN2C(=O)OC(C)(C)C)CC1 ZINC000862294244 732805947 /nfs/dbraw/zinc/80/59/47/732805947.db2.gz DLVIUQJGCKIQKX-HNNXBMFYSA-N 2 0 361.477 3.095 20 0 FGADRP CC(C)[C@@H](C[NH2+][C@H](C)c1cc2c(ccnc2Cl)o1)N1CC[NH+](C)CC1 ZINC000866225673 733326340 /nfs/dbraw/zinc/32/63/40/733326340.db2.gz BJHLJXRFHVEORM-GDBMZVCRSA-N 2 0 364.921 3.404 20 0 FGADRP C[C@H]1C[C@@H]([NH2+]C[C@H]2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)CC[N@@H+]1C ZINC000866549366 733365473 /nfs/dbraw/zinc/36/54/73/733365473.db2.gz MBFLNOAIBGVGJB-TXTZMMAHSA-N 2 0 351.535 3.237 20 0 FGADRP C[C@H]([NH2+]Cc1cc2c(s1)CC[NH2+]C2)c1cccc(N2CCCC2=O)c1 ZINC000873211948 735738594 /nfs/dbraw/zinc/73/85/94/735738594.db2.gz UKVGMXRCCBOEIU-AWEZNQCLSA-N 2 0 355.507 3.371 20 0 FGADRP C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000873259636 735744406 /nfs/dbraw/zinc/74/44/06/735744406.db2.gz IQRWZTSPMLLZMW-XYVMCAHJSA-N 2 0 363.933 3.197 20 0 FGADRP C[C@H]([NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2)c1sccc1Br ZINC000873289924 735746696 /nfs/dbraw/zinc/74/66/96/735746696.db2.gz MIJXJJQXOYUIOZ-NWDGAFQWSA-N 2 0 359.333 3.320 20 0 FGADRP CN(CCCCCC[NH3+])C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000874432574 735869012 /nfs/dbraw/zinc/86/90/12/735869012.db2.gz NHWJKRYNEQUJEH-MRXNPFEDSA-N 2 0 352.548 3.046 20 0 FGADRP O=C(/C=C\[C@@H]1CCC[NH2+]C1)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000876948792 736167097 /nfs/dbraw/zinc/16/70/97/736167097.db2.gz PEEJLWICFIYDNZ-VTGFLYEISA-N 2 0 359.539 3.369 20 0 FGADRP C[NH+](C)CCOc1cc(C[NH2+]Cc2cc3c(ccnc3Cl)o2)ccn1 ZINC000877162506 736193841 /nfs/dbraw/zinc/19/38/41/736193841.db2.gz HVHYWEADJUVVKD-UHFFFAOYSA-N 2 0 360.845 3.106 20 0 FGADRP COCC[N@@H+](Cc1ccc(OC)c(OC)c1Cl)CC1CC[NH+](C)CC1 ZINC000877665514 736702076 /nfs/dbraw/zinc/70/20/76/736702076.db2.gz YDQWHSDGGGCTKZ-UHFFFAOYSA-N 2 0 370.921 3.147 20 0 FGADRP C[NH+](C)C1(C)CCC([NH2+]C[C@@]2(C)CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000877711290 736709111 /nfs/dbraw/zinc/70/91/11/736709111.db2.gz CDUWSAJSWFMKCY-NQKNOSNGSA-N 2 0 353.551 3.486 20 0 FGADRP C[C@@H]1C[C@H](C[N@@H+]2CC[C@@H]3[C@@H](CC[NH+]3C)C2)CCN1C(=O)OC(C)(C)C ZINC000877743215 736713481 /nfs/dbraw/zinc/71/34/81/736713481.db2.gz ULYDCTBXBXJTTP-ZJPYXAASSA-N 2 0 351.535 3.048 20 0 FGADRP C([C@H]1CC2(CO1)CCOCC2)[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000878048588 736763380 /nfs/dbraw/zinc/76/33/80/736763380.db2.gz COKASMNBERZUFO-WOJBJXKFSA-N 2 0 350.547 3.160 20 0 FGADRP C[NH+]1CCC2(CC1)CC[NH+](C[C@@H]1CCN(C(=O)OC(C)(C)C)C1)CC2 ZINC000879247786 736972245 /nfs/dbraw/zinc/97/22/45/736972245.db2.gz HUORILYQMBOSKG-KRWDZBQOSA-N 2 0 351.535 3.051 20 0 FGADRP CCOC(=O)c1nc(C[N@H+](CC(C)C)CC2CC[NH+](C)CC2)cs1 ZINC000879702465 737035232 /nfs/dbraw/zinc/03/52/32/737035232.db2.gz MARPXOPFOCZLNW-UHFFFAOYSA-N 2 0 353.532 3.120 20 0 FGADRP CCOC(=O)c1csc(CC2CC[NH+](CC[C@H]3CCC[N@@H+]3C)CC2)n1 ZINC000880263246 737143921 /nfs/dbraw/zinc/14/39/21/737143921.db2.gz HTZMATLIYDMKBR-MRXNPFEDSA-N 2 0 365.543 3.059 20 0 FGADRP C[C@@H]1C[N@@H+](CCCC[NH2+]C2CCC(C)([NH+]3CCCC3)CC2)C[C@H](C)O1 ZINC000886548055 739266463 /nfs/dbraw/zinc/26/64/63/739266463.db2.gz WOGVGBMXKIZIHA-WHSGIHJSSA-N 3 0 351.579 3.263 20 0 FGADRP C[C@@H]([NH2+]CCC1(O)CC[NH+](Cc2ccccc2)CC1)C1CC(F)(F)C1 ZINC000895650952 742436869 /nfs/dbraw/zinc/43/68/69/742436869.db2.gz XKHRZLKIZWZGDD-MRXNPFEDSA-N 2 0 352.469 3.427 20 0 FGADRP [NH3+]CCCSCCc1nc(-c2cccc(C[NH+]3CCCCC3)c2)no1 ZINC000899999547 743040607 /nfs/dbraw/zinc/04/06/07/743040607.db2.gz LMRLNZKLSUYSCB-UHFFFAOYSA-N 2 0 360.527 3.347 20 0 FGADRP COc1ccc(Cl)cc1NC(=O)CC[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902336494 743734035 /nfs/dbraw/zinc/73/40/35/743734035.db2.gz MKGWXSQILJVJTO-AWEZNQCLSA-N 2 0 353.894 3.045 20 0 FGADRP [NH3+]Cc1cn([C@H]2CCC[N@H+](Cc3cc(Cl)cc4ccccc43)C2)nn1 ZINC000903458712 743853101 /nfs/dbraw/zinc/85/31/01/743853101.db2.gz HUBUARJDRAXRJZ-SFHVURJKSA-N 2 0 355.873 3.381 20 0 FGADRP O[C@H](C[C@@H]1CCCCC[N@@H+]1C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1)c1cccs1 ZINC000903734475 743880042 /nfs/dbraw/zinc/88/00/42/743880042.db2.gz RLSMFQVUXIQGBG-PNYFIKQUSA-N 2 0 364.555 3.185 20 0 FGADRP Clc1ccccc1OC[C@@H]1CCC[N@H+](C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)C1 ZINC000903757108 743881178 /nfs/dbraw/zinc/88/11/78/743881178.db2.gz XWZDTNMAKURIJS-FUHIMQAGSA-N 2 0 364.917 3.199 20 0 FGADRP Cc1cccc(C[NH+]2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)c1Br ZINC000903761576 743881457 /nfs/dbraw/zinc/88/14/57/743881457.db2.gz WICYGNQTJNNFIP-SJORKVTESA-N 2 0 367.331 3.476 20 0 FGADRP Clc1cccc([C@H]([NH2+]C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)c2ccccn2)c1 ZINC000903761085 743881619 /nfs/dbraw/zinc/88/16/19/743881619.db2.gz ZOUCDTZCCHLCFA-YZGWKJHDSA-N 2 0 357.885 3.183 20 0 FGADRP [NH3+]CC1(c2ccccc2)CC[NH+](Cc2nc(-c3cccs3)no2)CC1 ZINC000903794464 743884735 /nfs/dbraw/zinc/88/47/35/743884735.db2.gz WHTFTGBINIIJIU-UHFFFAOYSA-N 2 0 354.479 3.291 20 0 FGADRP CC[C@@H]1[C@@H](C(=O)N2CCC3(CC2)CC[NH+](C/C=C/Cl)CC3)CC[N@@H+]1C ZINC000957552398 762641179 /nfs/dbraw/zinc/64/11/79/762641179.db2.gz NFLAZEVMFSYZSK-XVSUHRFUSA-N 2 0 367.965 3.174 20 0 FGADRP CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1ncc(C(C)(C)C)s1)C2 ZINC000922391099 758911342 /nfs/dbraw/zinc/91/13/42/758911342.db2.gz RZQKONQSBZDYRO-GNSPCKGOSA-N 2 0 351.560 3.010 20 0 FGADRP CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]Cc3cnc(C4CCC4)s3)C2)[C@H]1C(C)C ZINC000922392064 758912406 /nfs/dbraw/zinc/91/24/06/758912406.db2.gz AZFZXNTVAQEXHY-SOAMZJECSA-N 2 0 363.571 3.370 20 0 FGADRP CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3cnc(Cl)c(C)c3)C2)[C@H]1C(C)C ZINC000922393604 758912949 /nfs/dbraw/zinc/91/29/49/758912949.db2.gz MLGTYMRYLFNWBA-MTNOOBJLSA-N 2 0 351.922 3.003 20 0 FGADRP FC(F)(F)CCN1CCC([NH2+]CC[C@@H]2CC[C@H](C(F)(F)F)O2)CC1 ZINC000922675705 758975055 /nfs/dbraw/zinc/97/50/55/758975055.db2.gz FCRPFANTUVHXPT-QWHCGFSZSA-N 2 0 362.358 3.493 20 0 FGADRP CC[C@H]1CN(C(=O)C(C)C)CC[C@H]1[NH2+]C1CC[NH+](CCC(C)C)CC1 ZINC000925176415 759458940 /nfs/dbraw/zinc/45/89/40/759458940.db2.gz GZVFMGXPXPUPFX-AZUAARDMSA-N 2 0 351.579 3.370 20 0 FGADRP C[N@@H+]1CC[C@H](CN[C@@H]2CC[NH2+]C23CCC3)[C@H]1c1ccc(Cl)c(F)c1 ZINC000925628678 759514898 /nfs/dbraw/zinc/51/48/98/759514898.db2.gz GUDOMRKDMVYNSB-ZTFGCOKTSA-N 2 0 351.897 3.346 20 0 FGADRP [NH3+]C1CCN(CC[NH2+][C@H]2CCC[C@@H]2c2ccc(C(F)(F)F)cc2)CC1 ZINC000925815953 759549313 /nfs/dbraw/zinc/54/93/13/759549313.db2.gz UZBDZZXJFKBFSW-MSOLQXFVSA-N 2 0 355.448 3.354 20 0 FGADRP [NH3+]C1CCN(CC[NH2+][C@H]2CCC[C@H]2c2ccc(C(F)(F)F)cc2)CC1 ZINC000925815955 759549677 /nfs/dbraw/zinc/54/96/77/759549677.db2.gz UZBDZZXJFKBFSW-ROUUACIJSA-N 2 0 355.448 3.354 20 0 FGADRP [NH3+]C1CCN(CC[NH2+][C@@H]2CC[C@H](c3ccc(C(F)(F)F)cc3)C2)CC1 ZINC000925816014 759550741 /nfs/dbraw/zinc/55/07/41/759550741.db2.gz CAXSXSPYPGNYKC-MAUKXSAKSA-N 2 0 355.448 3.354 20 0 FGADRP C[C@@H]([NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000925849739 759557359 /nfs/dbraw/zinc/55/73/59/759557359.db2.gz KSZJHKILBHPHNP-ZOBORPQBSA-N 2 0 368.930 3.168 20 0 FGADRP C[C@@H](Cc1c(Cl)cccc1Cl)[NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925855308 759560851 /nfs/dbraw/zinc/56/08/51/759560851.db2.gz UEZLTFJUQRIZTM-QWHCGFSZSA-N 2 0 371.308 3.199 20 0 FGADRP CC(C)[C@@H]([NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ccc(Cl)cc1 ZINC000925860178 759562601 /nfs/dbraw/zinc/56/26/01/759562601.db2.gz ZZZPPIDKZWOANF-IAGOWNOFSA-N 2 0 350.890 3.312 20 0 FGADRP C[C@H]([NH2+]C1CCC(CS(C)(=O)=O)CC1)c1cccc(C[NH+](C)C)c1 ZINC000926503647 759764184 /nfs/dbraw/zinc/76/41/84/759764184.db2.gz PBUSMERKLCJOIL-LYGPFTKASA-N 2 0 352.544 3.002 20 0 FGADRP CCCC[N@H+](CC1CCS(=O)(=O)CC1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000931034732 760760810 /nfs/dbraw/zinc/76/08/10/760760810.db2.gz WJSGNROWPODXOE-UHFFFAOYSA-N 2 0 358.592 3.223 20 0 FGADRP C[C@@H]1[C@H](C(=O)N2CCCC[C@H]2C[NH2+]Cc2ccc(Cl)s2)CC[N@@H+]1C ZINC000960008377 762730767 /nfs/dbraw/zinc/73/07/67/762730767.db2.gz OCTRFFYXHGAUJW-IJEWVQPXSA-N 2 0 369.962 3.212 20 0 FGADRP C[C@@H]1[C@H](C(=O)N2C[C@H]([NH2+]Cc3sccc3Cl)C(C)(C)C2)CC[N@@H+]1C ZINC000995827313 764970390 /nfs/dbraw/zinc/97/03/90/764970390.db2.gz UUBROJWDSOFDKW-IOASZLSFSA-N 2 0 369.962 3.068 20 0 FGADRP Cc1cc(C[NH2+]CC2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)c(C)s1 ZINC000997787385 765082524 /nfs/dbraw/zinc/08/25/24/765082524.db2.gz YRYGNNMZRJOGGZ-DNVCBOLYSA-N 2 0 363.571 3.033 20 0 FGADRP Cc1cc(Cl)ccc1CN1CCC[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001007375478 765590268 /nfs/dbraw/zinc/59/02/68/765590268.db2.gz DKULLWSFFVYUII-ATZDWAIDSA-N 2 0 363.933 3.069 20 0 FGADRP C[C@@H]1[C@H](C(=O)N[C@@H]2CCCC[NH+](Cc3cccc(Cl)c3)C2)CC[N@@H+]1C ZINC001034215214 766233107 /nfs/dbraw/zinc/23/31/07/766233107.db2.gz XIPDBPVUIOPPCM-ATZDWAIDSA-N 2 0 363.933 3.151 20 0 FGADRP Cc1cc(C[NH+]2CCCC[C@@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)c(C)s1 ZINC001034219023 766234212 /nfs/dbraw/zinc/23/42/12/766234212.db2.gz JPRWPIKGWGAVQK-ATZDWAIDSA-N 2 0 363.571 3.176 20 0 FGADRP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]3[C@H]2CC[NH+]3Cc2ccsc2)CC[N@@H+]1C ZINC001049483491 766786659 /nfs/dbraw/zinc/78/66/59/766786659.db2.gz XRYXAXXHBGXZRD-ZSYWTGECSA-N 2 0 361.555 3.044 20 0 FGADRP C[C@@H]1[C@H](C(=O)N[C@@H]2CCC[NH+](Cc3ccc(Cl)cc3)CC2)CC[N@@H+]1C ZINC001052392182 766900478 /nfs/dbraw/zinc/90/04/78/766900478.db2.gz VGCIJTWOPSSTNW-ATZDWAIDSA-N 2 0 363.933 3.151 20 0 FGADRP CC[C@H]([NH2+]CCCN1CC[NH+](C)CC1)c1cccc(Br)c1 ZINC000037229180 257338327 /nfs/dbraw/zinc/33/83/27/257338327.db2.gz NVPYEBNHTFTKRH-KRWDZBQOSA-N 2 0 354.336 3.127 20 0 FGADRP c1ccc(C[N@@H+]2CCCO[C@@H](CN3CCC[C@@H]3C[NH+]3CCCCC3)C2)cc1 ZINC000278565906 257374832 /nfs/dbraw/zinc/37/48/32/257374832.db2.gz IUSSTQNWTAPHLS-DHIUTWEWSA-N 2 0 371.569 3.228 20 0 FGADRP CC(C)(C[NH2+]CCC(=O)Nc1ccccc1)N1CCc2ccccc2C1 ZINC000573580576 505571388 /nfs/dbraw/zinc/57/13/88/505571388.db2.gz SCFMEHDXADBURR-UHFFFAOYSA-N 2 0 351.494 3.442 20 0 FGADRP C[C@H]([NH2+]CCc1c[nH]c2ncccc12)c1cccc(OCC[NH+](C)C)c1 ZINC000540148427 503690205 /nfs/dbraw/zinc/69/02/05/503690205.db2.gz OCINYICQQVOVSB-INIZCTEOSA-N 2 0 352.482 3.397 20 0 FGADRP Cc1nccn1-c1ccc([C@H](C)[NH2+]C2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)cc1 ZINC000540160954 503694692 /nfs/dbraw/zinc/69/46/92/503694692.db2.gz KJXVNIOJRIIVQE-KNXBSLHKSA-N 2 0 368.525 3.209 20 0 FGADRP C[N@@H+]1CCCC12CCN([C@@H](C(=O)N1CCCCC1)c1ccccc1)CC2 ZINC000540299329 503731418 /nfs/dbraw/zinc/73/14/18/503731418.db2.gz ZMBCCTXKPKWMDJ-HXUWFJFHSA-N 2 0 355.526 3.300 20 0 FGADRP C/C(=C/c1cccc(C(F)(F)F)c1)C[NH2+][C@@H](C)CN1CC[NH+](C)CC1 ZINC000573594447 505574163 /nfs/dbraw/zinc/57/41/63/505574163.db2.gz DBKWOYQIWSXKDJ-QZFKAFNDSA-N 2 0 355.448 3.334 20 0 FGADRP C[C@@H](NC(=O)CN1CC[C@]2(C1)CCC[NH2+]C2)c1cccc2ccccc21 ZINC000576704602 505574744 /nfs/dbraw/zinc/57/47/44/505574744.db2.gz XDZHKNILQGIILO-VGOFRKELSA-N 2 0 351.494 3.093 20 0 FGADRP CC[NH+](CC)Cc1cccc(CNC(=O)[C@@H]2C[NH2+]Cc3ccccc32)c1 ZINC000577059421 505654342 /nfs/dbraw/zinc/65/43/42/505654342.db2.gz OQOQWDAMSREVIJ-OAQYLSRUSA-N 2 0 351.494 3.032 20 0 FGADRP COC1CC[NH+](C(C)(C)CNC(=O)CC[C@@H]([NH3+])CC2CCCCC2)CC1 ZINC000573917236 505651139 /nfs/dbraw/zinc/65/11/39/505651139.db2.gz PRYFMBAJVJQEGM-GOSISDBHSA-N 2 0 367.578 3.070 20 0 FGADRP C[C@@H]([NH2+]CCCC[NH+]1CCN(c2ccccc2)CC1)c1ccncc1F ZINC000579985063 505656660 /nfs/dbraw/zinc/65/66/60/505656660.db2.gz YAPPUKOEWZVQEG-GOSISDBHSA-N 2 0 356.489 3.474 20 0 FGADRP C[C@H]([NH2+][C@@H]1CCOC2(CCOCC2)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000568307465 505662545 /nfs/dbraw/zinc/66/25/45/505662545.db2.gz WRQVXQCHQQJLSN-PKOBYXMFSA-N 2 0 362.514 3.006 20 0 FGADRP CC[NH+](CC)[C@H](C)CNC(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000048220861 493804243 /nfs/dbraw/zinc/80/42/43/493804243.db2.gz DQCZBAYSLYHRKZ-GOSISDBHSA-N 2 0 360.546 3.202 20 0 FGADRP C[C@@H](CNC(=O)NCc1ccccc1C[NH+]1CCCC1)[N@@H+]1CCCC[C@H]1C ZINC000048220322 493804477 /nfs/dbraw/zinc/80/44/77/493804477.db2.gz OVMUAIFOAIDAOL-MOPGFXCFSA-N 2 0 372.557 3.345 20 0 FGADRP C[NH+](C)Cc1ccc(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000068527567 493834283 /nfs/dbraw/zinc/83/42/83/493834283.db2.gz FGLUVTZOKGDFDT-UHFFFAOYSA-N 2 0 351.494 3.274 20 0 FGADRP CC(C)(CNC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)[NH+]1CCCCC1 ZINC000061185503 493968609 /nfs/dbraw/zinc/96/86/09/493968609.db2.gz BAISWMLZOIWEGS-UHFFFAOYSA-N 2 0 372.557 3.346 20 0 FGADRP C[NH+](C)CCOc1ccc(C[NH2+]C[C@H]2CCN(c3ccccc3)C2)cc1 ZINC000069679079 493996330 /nfs/dbraw/zinc/99/63/30/493996330.db2.gz UTKKNVWQLJXDCN-HXUWFJFHSA-N 2 0 353.510 3.243 20 0 FGADRP C[NH+](C)[C@@H](CNC(=O)N1CCC[C@@H]1C[NH+]1CCCCC1)c1cccs1 ZINC000069718899 494001631 /nfs/dbraw/zinc/00/16/31/494001631.db2.gz RNSCFLLNYYEBSL-SJORKVTESA-N 2 0 364.559 3.011 20 0 FGADRP C[C@H](CC[NH+](C)C)NC(=O)NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000062505747 494015220 /nfs/dbraw/zinc/01/52/20/494015220.db2.gz VAEDPXMFIMSOFK-QZTJIDSGSA-N 2 0 360.546 3.200 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1cccc2[nH]ccc21 ZINC000077203210 494032473 /nfs/dbraw/zinc/03/24/73/494032473.db2.gz VSQQVUVQWWPQQQ-MRXNPFEDSA-N 2 0 357.502 3.048 20 0 FGADRP C[C@H](CNC(=O)NC1CC[NH+](CC2CCCC2)CC1)[N@@H+]1CCC[C@H](C)C1 ZINC000063407717 494051715 /nfs/dbraw/zinc/05/17/15/494051715.db2.gz LPSSWWKOFRGIMM-ZWKOTPCHSA-N 2 0 364.578 3.061 20 0 FGADRP C[NH+](C)[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1Cc1ccccc1)C1CCCCC1 ZINC000063645251 494073709 /nfs/dbraw/zinc/07/37/09/494073709.db2.gz PPNBDJSWKKNGCH-RTWAWAEBSA-N 2 0 357.542 3.278 20 0 FGADRP COc1ccc(OC2CC[NH+](C[C@H](C[NH3+])c3ccc(OC)cc3)CC2)cc1 ZINC000577270878 505698166 /nfs/dbraw/zinc/69/81/66/505698166.db2.gz NURNVOZPBDGUPN-SFHVURJKSA-N 2 0 370.493 3.290 20 0 FGADRP CC[N@H+](C)Cc1cccc(CNC(=O)N[C@@H](C)C[NH+]2CCC[C@@H](C)C2)c1 ZINC000064227067 494107356 /nfs/dbraw/zinc/10/73/56/494107356.db2.gz QOCNHXFTCWHAKQ-MSOLQXFVSA-N 2 0 360.546 3.058 20 0 FGADRP CCc1ccc([C@H](CNC(=O)NCCC[NH2+]C2CCCCC2)[NH+](C)C)cc1 ZINC000071922872 494108335 /nfs/dbraw/zinc/10/83/35/494108335.db2.gz YLXYIOURZSFBAM-NRFANRHFSA-N 2 0 374.573 3.463 20 0 FGADRP Cc1ccc([C@@H](CNC(=O)NCC2([NH+](C)C)CCCC2)[NH+]2CCCC2)cc1 ZINC000064237601 494108438 /nfs/dbraw/zinc/10/84/38/494108438.db2.gz BICFSEHGAXFWLR-HXUWFJFHSA-N 2 0 372.557 3.306 20 0 FGADRP CC(C)[C@H](C[NH2+][C@@H](C)c1sccc1Br)N1CCN(C)CC1 ZINC000040770318 494146070 /nfs/dbraw/zinc/14/60/70/494146070.db2.gz XKGCULNWRQJGSM-ZFWWWQNUSA-N 2 0 374.392 3.433 20 0 FGADRP CC(C)[N@@H+]1CC[C@@H](CNC(=O)N2CCC[NH+](Cc3ccccc3)C[C@H]2C)C1 ZINC000077694465 494147085 /nfs/dbraw/zinc/14/70/85/494147085.db2.gz TYWIWWYJAQUWGL-CTNGQTDRSA-N 2 0 372.557 3.023 20 0 FGADRP C[C@@H](NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1cccc2ccccc21 ZINC000077754309 494168075 /nfs/dbraw/zinc/16/80/75/494168075.db2.gz IPZRICIQGATPKK-QGZVFWFLSA-N 2 0 356.514 3.036 20 0 FGADRP CC(C)C[NH+]1CCC(NC(=O)N[C@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)CC1 ZINC000065521971 494208718 /nfs/dbraw/zinc/20/87/18/494208718.db2.gz IWFIVOHKZYDBIO-NQIIRXRSSA-N 2 0 372.557 3.242 20 0 FGADRP CCC[NH+]1CCC(N(C)C(=O)C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000065876445 494250991 /nfs/dbraw/zinc/25/09/91/494250991.db2.gz YHOJEDBIGFIDNX-UHFFFAOYSA-N 2 0 357.542 3.231 20 0 FGADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)N2CCC(CC[NH+](C)C)CC2)C1 ZINC000054698591 494263239 /nfs/dbraw/zinc/26/32/39/494263239.db2.gz YCGOATWCZPLERQ-NQIIRXRSSA-N 2 0 372.557 3.195 20 0 FGADRP CC1CC[NH+](CCCCNC(=O)NC[C@H](c2cccs2)[NH+](C)C)CC1 ZINC000043144370 494269675 /nfs/dbraw/zinc/26/96/75/494269675.db2.gz SWNGIRHAZREKGU-QGZVFWFLSA-N 2 0 366.575 3.162 20 0 FGADRP C[C@@H]([NH2+]CC1CCN(c2cc[nH+]cc2)CC1)c1ccc([S@@](C)=O)cc1 ZINC000089214716 494273880 /nfs/dbraw/zinc/27/38/80/494273880.db2.gz HLYWMWVLJGVMJE-CPJLOUKISA-N 2 0 357.523 3.386 20 0 FGADRP O[C@H](C[NH2+]CC1CC[NH+](Cc2ccccc2Cl)CC1)CC(F)(F)F ZINC000568500755 505710670 /nfs/dbraw/zinc/71/06/70/505710670.db2.gz FBRGENLFYBRSHX-HNNXBMFYSA-N 2 0 364.839 3.455 20 0 FGADRP CCC[NH+]1CCC(N(C)C(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000066185520 494285821 /nfs/dbraw/zinc/28/58/21/494285821.db2.gz IGCFJKPFZCJTFH-HXUWFJFHSA-N 2 0 372.557 3.167 20 0 FGADRP C[NH+](C)[C@H](CNC(=O)c1ccc(C[NH+]2CCCC2)cc1)c1ccccc1 ZINC000073041492 494311012 /nfs/dbraw/zinc/31/10/12/494311012.db2.gz UFQDDRIIPYAAJG-OAQYLSRUSA-N 2 0 351.494 3.315 20 0 FGADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)C1CCN(c2cc[nH+]cc2C)CC1 ZINC000073225153 494342451 /nfs/dbraw/zinc/34/24/51/494342451.db2.gz GKWGJANDUKSMHR-HXUWFJFHSA-N 2 0 372.557 3.377 20 0 FGADRP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1ccc(I)cc1 ZINC000044533229 494363269 /nfs/dbraw/zinc/36/32/69/494363269.db2.gz OIWIAFUWDQAIGQ-OLZOCXBDSA-N 2 0 358.267 3.284 20 0 FGADRP O=C(N[C@@H](C[NH+]1CCCC1)c1ccccc1)N1CCC([NH+]2CCCC2)CC1 ZINC000079310565 494435342 /nfs/dbraw/zinc/43/53/42/494435342.db2.gz HZSBYCNGVILVPC-NRFANRHFSA-N 2 0 370.541 3.093 20 0 FGADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCOc1ncc(C(F)(F)F)cc1Cl ZINC000090082448 494438307 /nfs/dbraw/zinc/43/83/07/494438307.db2.gz OCLJWGWWIXYNAJ-MFKMUULPSA-N 2 0 351.800 3.062 20 0 FGADRP C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)NCc2cccc(C[NH+](C)C)c2)C1 ZINC000079394518 494445997 /nfs/dbraw/zinc/44/59/97/494445997.db2.gz GRZKXDYFAJXJTF-OALUTQOASA-N 2 0 374.573 3.306 20 0 FGADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)NCC[NH+]1CCC[C@@H](C)C1 ZINC000045789883 494463142 /nfs/dbraw/zinc/46/31/42/494463142.db2.gz OKCYFCOYIJACNX-GOSISDBHSA-N 2 0 360.546 3.058 20 0 FGADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)NCC(C)(C)[NH+]2CCC[C@H](CC)C2)C1 ZINC000074169263 494491662 /nfs/dbraw/zinc/49/16/62/494491662.db2.gz WVNCGYIYXICDHO-OALUTQOASA-N 2 0 366.594 3.260 20 0 FGADRP COc1ccc2c(c1)[C@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)CCCO2 ZINC000090937382 494504229 /nfs/dbraw/zinc/50/42/29/494504229.db2.gz IBXZOGSZXDRBHA-LJQANCHMSA-N 2 0 371.481 3.034 20 0 FGADRP C[C@@H](OC[C@@H](O)C[NH+]1CCC(CC[NH+](C)C)CC1)c1ccc(Cl)cc1 ZINC000056523008 494520095 /nfs/dbraw/zinc/52/00/95/494520095.db2.gz OELMLTHMZBZHEX-UZLBHIALSA-N 2 0 368.949 3.442 20 0 FGADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NCC[NH+](C(C)C)C(C)C ZINC000067381340 494527527 /nfs/dbraw/zinc/52/75/27/494527527.db2.gz NGPHRPWYOYRZSV-UHFFFAOYSA-N 2 0 362.562 3.399 20 0 FGADRP CCCC[N@H+](C)CC1CCN(C(=O)NCC2([NH+](C)C)CCCC2)CC1 ZINC000079852419 494535759 /nfs/dbraw/zinc/53/57/59/494535759.db2.gz JTBDAXVVNCBDRY-UHFFFAOYSA-N 2 0 352.567 3.014 20 0 FGADRP CC(C)[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000079945229 494553967 /nfs/dbraw/zinc/55/39/67/494553967.db2.gz SNBDIYPDDBKEGH-RXVVDRJESA-N 2 0 357.542 3.276 20 0 FGADRP O=C(c1cccc(C[NH+]2CCCC2)c1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000131341449 494589724 /nfs/dbraw/zinc/58/97/24/494589724.db2.gz OJQSVDSRHBVRRU-NRFANRHFSA-N 2 0 355.526 3.373 20 0 FGADRP CC(C)[C@@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)c1ccccc1 ZINC000091375264 494590801 /nfs/dbraw/zinc/59/08/01/494590801.db2.gz LDIZBIBTGHJDJY-OAQYLSRUSA-N 2 0 353.510 3.465 20 0 FGADRP CCOCCC1(C[NH2+]Cc2c(Cl)cccc2N2CC[NH+](C)CC2)CC1 ZINC000092414841 494618297 /nfs/dbraw/zinc/61/82/97/494618297.db2.gz PDUJQPSWODQGAE-UHFFFAOYSA-N 2 0 365.949 3.388 20 0 FGADRP C[C@@H]1C[C@@H](NC(=O)N(C)C[C@@H]2CCC[NH+](C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000080166303 494621108 /nfs/dbraw/zinc/62/11/08/494621108.db2.gz UKGPJZURCCXTCV-NRSPTQNISA-N 2 0 372.557 3.023 20 0 FGADRP CC[NH+](CC)Cc1ccccc1CNC(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000115789801 494621374 /nfs/dbraw/zinc/62/13/74/494621374.db2.gz PNCRFDZDRROVNU-GOSISDBHSA-N 2 0 360.546 3.012 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)N(C)C[C@H]1CCC[N@H+](C)C1)c1ccsc1 ZINC000115796601 494625047 /nfs/dbraw/zinc/62/50/47/494625047.db2.gz VYNCROKJFJGMBH-WMZOPIPTSA-N 2 0 366.575 3.114 20 0 FGADRP CC(C)CC[NH+]1CCC(CNC(=O)N2CCC[C@H]([NH+]3CCCC3)C2)CC1 ZINC000080219154 494642249 /nfs/dbraw/zinc/64/22/49/494642249.db2.gz KPICXQTYTNLDBU-FQEVSTJZSA-N 2 0 364.578 3.014 20 0 FGADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)NCC2CC[NH+](CCC(C)C)CC2)C1 ZINC000080217318 494642568 /nfs/dbraw/zinc/64/25/68/494642568.db2.gz JYEBDKRWLIAUJQ-FQEVSTJZSA-N 2 0 366.594 3.118 20 0 FGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@@H](C)c2cccc(OC(F)F)c2)CC1 ZINC000121223065 494654442 /nfs/dbraw/zinc/65/44/42/494654442.db2.gz WEVMCRHTZOTALN-HOTGVXAUSA-N 2 0 355.473 3.212 20 0 FGADRP C[C@@H](C(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1)[NH+]1CCCCCC1 ZINC000092516829 494655069 /nfs/dbraw/zinc/65/50/69/494655069.db2.gz MXUJZMWJFBLDIJ-IBGZPJMESA-N 2 0 372.557 3.411 20 0 FGADRP C[C@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+]CC1CC[NH+](C)CC1 ZINC000126190678 494667595 /nfs/dbraw/zinc/66/75/95/494667595.db2.gz WRXKZSVWUVVNJY-CYBMUJFWSA-N 2 0 357.420 3.354 20 0 FGADRP CC[NH+](CC)CCOc1ccc(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)cc1 ZINC000121266047 494674822 /nfs/dbraw/zinc/67/48/22/494674822.db2.gz VTELDHLDMUPESM-HBMCJLEFSA-N 2 0 358.526 3.454 20 0 FGADRP C[NH+](C)Cc1ccccc1CNC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000047303354 494676851 /nfs/dbraw/zinc/67/68/51/494676851.db2.gz LUNIVWKMECMFEE-UHFFFAOYSA-N 2 0 365.521 3.277 20 0 FGADRP C[C@@H]1C[N@@H+](CC2CC[NH+](Cc3cccc(-n4cccn4)c3)CC2)C[C@H](C)O1 ZINC000092587030 494677300 /nfs/dbraw/zinc/67/73/00/494677300.db2.gz SENHHSOEVHIBDA-KDURUIRLSA-N 2 0 368.525 3.194 20 0 FGADRP C[NH+](C)[C@H](CNC(=O)C1CC[NH+](Cc2ccccc2)CC1)c1ccsc1 ZINC000047305690 494678462 /nfs/dbraw/zinc/67/84/62/494678462.db2.gz VVHMLNHQRHJKPT-HXUWFJFHSA-N 2 0 371.550 3.379 20 0 FGADRP C[C@@H]([NH2+]CCN1CCC([NH+](C)C)CC1)c1ccc(Br)c(F)c1 ZINC000131670833 494693583 /nfs/dbraw/zinc/69/35/83/494693583.db2.gz WZOPTYBQLQQWKZ-CYBMUJFWSA-N 2 0 372.326 3.265 20 0 FGADRP C[C@@H](NC(=O)C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1)c1cccc2ccccc21 ZINC000574277450 505736193 /nfs/dbraw/zinc/73/61/93/505736193.db2.gz FFWAXIPHQRXVKE-YLJYHZDGSA-N 2 0 365.521 3.339 20 0 FGADRP C[C@H](Cc1ccsc1)[NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000577480960 505736254 /nfs/dbraw/zinc/73/62/54/505736254.db2.gz ANQIMOVNOOAHBK-MRXNPFEDSA-N 2 0 371.550 3.166 20 0 FGADRP C[NH+](C)CCNC(=O)c1ccc(C[NH2+][C@H]2CC[C@H](c3ccccc3)C2)cc1 ZINC000131692386 494700932 /nfs/dbraw/zinc/70/09/32/494700932.db2.gz PQVLONWXRRMEPZ-VXKWHMMOSA-N 2 0 365.521 3.404 20 0 FGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@H](C)c2ccc(F)cc2OC(F)F)CC1 ZINC000121371558 494724908 /nfs/dbraw/zinc/72/49/08/494724908.db2.gz IYZXUQHPHAIWDV-LSDHHAIUSA-N 2 0 373.463 3.351 20 0 FGADRP O=C(Nc1cccc(C[NH+]2CCSCC2)c1)[C@@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC000080610602 494745219 /nfs/dbraw/zinc/74/52/19/494745219.db2.gz BLUWDRXZEXYDIV-MJGOQNOKSA-N 2 0 359.539 3.048 20 0 FGADRP C[N@@H+](CCC(=O)N1CCCCC1)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821003 494763921 /nfs/dbraw/zinc/76/39/21/494763921.db2.gz XDFZZNLTINMGSZ-UHFFFAOYSA-N 2 0 358.530 3.023 20 0 FGADRP C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)CC(=O)Nc1cccc(F)c1 ZINC000092821101 494764251 /nfs/dbraw/zinc/76/42/51/494764251.db2.gz WZKWWJKFAPWTSP-UHFFFAOYSA-N 2 0 370.472 3.398 20 0 FGADRP COC(=O)[C@H](C)Oc1ccc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000092066961 494773794 /nfs/dbraw/zinc/77/37/94/494773794.db2.gz SLNCIQQNOGIMGK-YRISNDGFSA-N 2 0 372.509 3.076 20 0 FGADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000116435095 494786931 /nfs/dbraw/zinc/78/69/31/494786931.db2.gz AHSQFHHVUJLJDO-GHTZIAJQSA-N 2 0 372.557 3.386 20 0 FGADRP CCc1ccc([C@@H](CNC(=O)NC2CC[NH+](C(C)C)CC2)[NH+](C)C)cc1 ZINC000047883508 494787812 /nfs/dbraw/zinc/78/78/12/494787812.db2.gz WQJUBHRAZLTLMO-HXUWFJFHSA-N 2 0 360.546 3.024 20 0 FGADRP C[C@@H](CNC(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1)C[NH+]1CCCC1 ZINC000116533738 494810203 /nfs/dbraw/zinc/81/02/03/494810203.db2.gz ISOUQBWDUXSMDJ-OALUTQOASA-N 2 0 372.557 3.243 20 0 FGADRP COc1ccc([C@H](C)[NH2+]Cc2ccc(CN3CC[NH+](C)CC3)cc2)cc1 ZINC000126733633 494828395 /nfs/dbraw/zinc/82/83/95/494828395.db2.gz NINIOWONQMADLR-SFHVURJKSA-N 2 0 353.510 3.293 20 0 FGADRP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3cnc(-c4ccc(C)cc4)s3)C2)CC1 ZINC000093133424 494829815 /nfs/dbraw/zinc/82/98/15/494829815.db2.gz KDUJRAHRYKZMHX-LJQANCHMSA-N 2 0 370.566 3.330 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)[C@@H]2CCC[NH+]2Cc2ccccc2)C1 ZINC000109122072 494834844 /nfs/dbraw/zinc/83/48/44/494834844.db2.gz ZUHKHAMFPNJSNU-ZVDOUQERSA-N 2 0 357.542 3.135 20 0 FGADRP C[C@H](NC(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H](c1ccccc1)[NH+](C)C ZINC000577529616 505745944 /nfs/dbraw/zinc/74/59/44/505745944.db2.gz VVKKRZINDWQVQI-BWAGFHJFSA-N 2 0 365.521 3.316 20 0 FGADRP c1ncn(-c2ccc(C[NH+]3CC[C@@]4(CC[N@@H+](Cc5ccccc5)C4)C3)cc2)n1 ZINC000577543004 505748411 /nfs/dbraw/zinc/74/84/11/505748411.db2.gz TYTBAPBLJOCNTD-HSZRJFAPSA-N 2 0 373.504 3.365 20 0 FGADRP Cc1cc2ncc([C@H](C)[NH2+]Cc3ccccc3OCC[NH+](C)C)c(C)n2n1 ZINC000093403372 494887115 /nfs/dbraw/zinc/88/71/15/494887115.db2.gz LEROKHRPKJXHIS-INIZCTEOSA-N 2 0 367.497 3.137 20 0 FGADRP CN1CC[NH+](CCCC[NH2+][C@@H]2CCCc3ncc(C(F)(F)F)cc32)CC1 ZINC000132525614 494888291 /nfs/dbraw/zinc/88/82/91/494888291.db2.gz GDKDNAWUXJSUQF-QGZVFWFLSA-N 2 0 370.463 3.095 20 0 FGADRP CC[N@@H+]1CC[C@H]([NH+](C)Cc2c[nH]nc2-c2ccc3c(c2)OCCO3)[C@H](C)C1 ZINC000093639692 494907335 /nfs/dbraw/zinc/90/73/35/494907335.db2.gz ZIXOODUYUSUEMH-QAPCUYQASA-N 2 0 370.497 3.010 20 0 FGADRP COCC[N@H+](C)CCCC1CC[NH+](Cc2cnc3ccc(C)cn23)CC1 ZINC000093769500 494918430 /nfs/dbraw/zinc/91/84/30/494918430.db2.gz UTMIYMWZLNZUMU-UHFFFAOYSA-N 2 0 358.530 3.213 20 0 FGADRP Cc1cc(Cl)cc2c1OCCC[C@@H]2[NH2+]C[C@H](C)N1CC[NH+](C)CC1 ZINC000122276241 494950499 /nfs/dbraw/zinc/95/04/99/494950499.db2.gz NAMMKOADGXOCNH-YJBOKZPZSA-N 2 0 351.922 3.088 20 0 FGADRP C[C@@H]([NH2+]CCN1CCC([NH+](C)C)CC1)c1ccc(Br)cc1F ZINC000127517101 494955736 /nfs/dbraw/zinc/95/57/36/494955736.db2.gz PCEAUFQNPAFNNU-CYBMUJFWSA-N 2 0 372.326 3.265 20 0 FGADRP Cc1cc(Cl)cc2c1OCCC[C@H]2[NH2+][C@H](C)CN1CC[NH+](C)CC1 ZINC000122314323 494956268 /nfs/dbraw/zinc/95/62/68/494956268.db2.gz PITGMUTXLDSUTM-CRAIPNDOSA-N 2 0 351.922 3.088 20 0 FGADRP C[C@@H]([NH2+]C[C@@H](O)CC1CCCC1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000571516173 505751844 /nfs/dbraw/zinc/75/18/44/505751844.db2.gz IZHNEXJBNOZGPJ-APWZRJJASA-N 2 0 363.521 3.169 20 0 FGADRP O=C(NCCCCC[NH+]1CCCCC1)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000110437664 494978944 /nfs/dbraw/zinc/97/89/44/494978944.db2.gz LYXMYAADWOJZFZ-NRFANRHFSA-N 2 0 357.542 3.423 20 0 FGADRP CN(c1ccccc1C[NH2+]Cc1cccc2c1OCO2)C1CC[NH+](C)CC1 ZINC000133284585 494994743 /nfs/dbraw/zinc/99/47/43/494994743.db2.gz NNHNICOPHFISCD-UHFFFAOYSA-N 2 0 367.493 3.236 20 0 FGADRP CC[C@@H]([NH2+]C[C@@H](C)N1CC[NH+](C)CC1)c1ccc(Br)cc1 ZINC000127811593 495002390 /nfs/dbraw/zinc/00/23/90/495002390.db2.gz GCBDWIWGFNBMMV-RHSMWYFYSA-N 2 0 354.336 3.126 20 0 FGADRP C[N@H+](Cc1ccccc1NC(=O)C[C@H]1CSCC[NH2+]1)C1CCCCC1 ZINC000133354731 495004396 /nfs/dbraw/zinc/00/43/96/495004396.db2.gz ZPTZXGXVNIJFNJ-KRWDZBQOSA-N 2 0 361.555 3.485 20 0 FGADRP CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000133621910 495037165 /nfs/dbraw/zinc/03/71/65/495037165.db2.gz FGMLTCPDDWMODS-FQEVSTJZSA-N 2 0 364.578 3.203 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)[C@H](C)C1 ZINC000128054824 495037995 /nfs/dbraw/zinc/03/79/95/495037995.db2.gz SSZNSNGFPHGYGN-NQIIRXRSSA-N 2 0 372.557 3.154 20 0 FGADRP OCC[C@H]1CCCC[NH+]1Cc1ccccc1C[N@H+]1CCCC[C@@H]1CCO ZINC000111240079 495052441 /nfs/dbraw/zinc/05/24/41/495052441.db2.gz VPKUJKDCPNBYPV-FGZHOGPDSA-N 2 0 360.542 3.160 20 0 FGADRP Cc1ccc(C[NH2+]CCCC[NH+]2CCN(c3cccc(C)c3)CC2)nc1 ZINC000133782453 495061636 /nfs/dbraw/zinc/06/16/36/495061636.db2.gz OIIBJIMURZXJTB-UHFFFAOYSA-N 2 0 352.526 3.390 20 0 FGADRP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]Cc1cccc(C[NH+]2CCCC2)c1 ZINC000123051171 495073142 /nfs/dbraw/zinc/07/31/42/495073142.db2.gz KZFMAIGHTJCCIF-OIBXWCBGSA-N 3 0 371.569 3.261 20 0 FGADRP CC[NH+](CC)CCN(Cc1cccs1)C(=O)NCc1ccc(C[NH3+])cc1 ZINC000580442710 505760807 /nfs/dbraw/zinc/76/08/07/505760807.db2.gz OTJZQQUBQNWCDI-UHFFFAOYSA-N 2 0 374.554 3.260 20 0 FGADRP Clc1ccc(-n2cc(C[NH+]3CCC(C[NH+]4CCOCC4)CC3)cn2)cc1 ZINC000134079993 495103145 /nfs/dbraw/zinc/10/31/45/495103145.db2.gz FGGRKXXAPFSNFZ-UHFFFAOYSA-N 2 0 374.916 3.070 20 0 FGADRP CC(C)[NH2+]C1CCN(C(=O)Nc2ccc(OCCC[NH+](C)C)cc2)CC1 ZINC000111765378 495109246 /nfs/dbraw/zinc/10/92/46/495109246.db2.gz JETZYHVJBVXRJN-UHFFFAOYSA-N 2 0 362.518 3.011 20 0 FGADRP Cc1cc(Br)ccc1C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000134129436 495109960 /nfs/dbraw/zinc/10/99/60/495109960.db2.gz ANVJRLBPCLBDOM-UHFFFAOYSA-N 2 0 367.331 3.302 20 0 FGADRP CC[NH+](CC)[C@H](C)CNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000111816719 495115402 /nfs/dbraw/zinc/11/54/02/495115402.db2.gz JHHURQJFFCBOHY-LBFURVHYSA-N 2 0 372.557 3.212 20 0 FGADRP C[NH+](C)Cc1ccc(C(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)cc1 ZINC000103092864 495192766 /nfs/dbraw/zinc/19/27/66/495192766.db2.gz TXJXJZQFQQDSCW-FQEVSTJZSA-N 2 0 357.542 3.476 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)NCCC1CC[NH+](C)CC1)c1ccccc1 ZINC000103298851 495214841 /nfs/dbraw/zinc/21/48/41/495214841.db2.gz CPNIHCFSQQNTNR-HXUWFJFHSA-N 2 0 360.546 3.101 20 0 FGADRP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH+]2Cc2ccccc2)C1 ZINC000124197541 495249271 /nfs/dbraw/zinc/24/92/71/495249271.db2.gz KWYAFTINXINSQT-SFTDATJTSA-N 2 0 357.542 3.135 20 0 FGADRP C[C@@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)[N@H+](C)CCCn1ccnc1 ZINC000124248125 495256922 /nfs/dbraw/zinc/25/69/22/495256922.db2.gz LNYYBQUQQRJUKC-ZDUSSCGKSA-N 2 0 370.375 3.131 20 0 FGADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]CC2(c3ccc(Br)cc3)CCOCC2)C1 ZINC000568768165 505773798 /nfs/dbraw/zinc/77/37/98/505773798.db2.gz IFEIIXBLJKDOCJ-IAGOWNOFSA-N 2 0 367.331 3.357 20 0 FGADRP CC[NH+](CC)[C@H](C)CNC(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000113591021 495318797 /nfs/dbraw/zinc/31/87/97/495318797.db2.gz YCXSWOXZFHDREJ-GOSISDBHSA-N 2 0 360.546 3.023 20 0 FGADRP CC(=O)Nc1ccc(C[NH2+][C@H](C)c2cccc(OCC[NH+](C)C)c2)cc1 ZINC000120183401 495322701 /nfs/dbraw/zinc/32/27/01/495322701.db2.gz RMWGPEZTGZQVSB-MRXNPFEDSA-N 2 0 355.482 3.436 20 0 FGADRP CC1CC[NH+](Cc2ccc(NC(=O)c3conc3C(C)(C)[NH3+])cc2)CC1 ZINC000568780219 505775366 /nfs/dbraw/zinc/77/53/66/505775366.db2.gz VIVWWSJXMFCBKQ-UHFFFAOYSA-N 2 0 356.470 3.353 20 0 FGADRP C[C@H](c1ccccc1)[NH+]1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000120277842 495341831 /nfs/dbraw/zinc/34/18/31/495341831.db2.gz GUWNRNGIZMAUIT-LJQANCHMSA-N 2 0 357.542 3.452 20 0 FGADRP O=C(NCC[NH+]1CCCC1)c1ccc(CNCc2cc(F)ccc2F)cc1 ZINC000130196818 495355344 /nfs/dbraw/zinc/35/53/44/495355344.db2.gz XCZNDDRFSUILGA-UHFFFAOYSA-N 2 0 373.447 3.080 20 0 FGADRP CC(C)[NH+]1CCC(NC(=O)N2CCC[N@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000124927452 495365423 /nfs/dbraw/zinc/36/54/23/495365423.db2.gz UDRBQWHEMAQHLP-IBGZPJMESA-N 2 0 372.557 3.165 20 0 FGADRP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)NCC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000571630281 505777351 /nfs/dbraw/zinc/77/73/51/505777351.db2.gz KOEZXOJWDRMFSO-RBUKOAKNSA-N 2 0 374.573 3.269 20 0 FGADRP COc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]CC(C)(C)C[NH+](C)C ZINC000120423647 495373820 /nfs/dbraw/zinc/37/38/20/495373820.db2.gz QRPSWAXLUYWSMR-CYBMUJFWSA-N 2 0 355.910 3.243 20 0 FGADRP CCc1nc(C)c([C@H](C)[NH2+]Cc2ccc(N3CC[NH+](C)CC3)nc2)s1 ZINC000130447773 495393616 /nfs/dbraw/zinc/39/36/16/495393616.db2.gz SPOYFPOZWMDDQN-AWEZNQCLSA-N 2 0 359.543 3.012 20 0 FGADRP COc1ccc([C@H](C)[NH2+]CCc2cn3ccccc3n2)cc1NC(C)=O ZINC000130653119 495424909 /nfs/dbraw/zinc/42/49/09/495424909.db2.gz JWEDAMKLPIPMOR-AWEZNQCLSA-N 2 0 352.438 3.195 20 0 FGADRP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]CCCOCCc1ccccc1 ZINC000125325391 495425974 /nfs/dbraw/zinc/42/59/74/495425974.db2.gz FDQMZXLPEATLIX-HJNYFJLDSA-N 2 0 360.542 3.115 20 0 FGADRP CCC[NH+]1CCC([NH2+]CCCC[NH+]2CCN(c3cccc(C)c3)CC2)CC1 ZINC000125322679 495426069 /nfs/dbraw/zinc/42/60/69/495426069.db2.gz BMQUEJNUXWKGOY-UHFFFAOYSA-N 3 0 372.601 3.361 20 0 FGADRP Cc1cccc(C)c1C[NH+]1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000130672958 495428079 /nfs/dbraw/zinc/42/80/79/495428079.db2.gz UJUARSRVEMHZKT-UHFFFAOYSA-N 2 0 359.558 3.219 20 0 FGADRP C[C@@H](C[NH2+][C@@H](C)c1ccccc1OC(F)(F)F)CN1CC[NH+](C)CC1 ZINC000120830794 495466700 /nfs/dbraw/zinc/46/67/00/495466700.db2.gz UWTPSSDDTHUTNY-GJZGRUSLSA-N 2 0 359.436 3.119 20 0 FGADRP C[C@H](CN[C@@H](C)c1ccc(S(C)(=O)=O)c(F)c1)C[NH+]1CCCCC1 ZINC000125607065 495470175 /nfs/dbraw/zinc/47/01/75/495470175.db2.gz YTVVCJHYUUFLIP-CABCVRRESA-N 2 0 356.507 3.002 20 0 FGADRP O=C(NCCC[NH+]1CCCC1)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000139661880 495480925 /nfs/dbraw/zinc/48/09/25/495480925.db2.gz NOUQKIDVEJQMHG-UHFFFAOYSA-N 2 0 372.557 3.348 20 0 FGADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]C[C@H]2CCN(c3cccc(Br)c3)C2)C1 ZINC000571657406 505785110 /nfs/dbraw/zinc/78/51/10/505785110.db2.gz LWYXBEULONCAIL-FVQBIDKESA-N 2 0 352.320 3.135 20 0 FGADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CC[C@@H]3[C@H](CCC[NH+]3C)C2)C1 ZINC000139933181 495485270 /nfs/dbraw/zinc/48/52/70/495485270.db2.gz PVCBGWVGGGXNGO-GUDVDZBRSA-N 2 0 364.578 3.013 20 0 FGADRP Cc1ccccc1[C@@H]([C@H](C)NC(=O)NCc1ccc2c[nH+]cn2c1)[NH+](C)C ZINC000574497616 505785958 /nfs/dbraw/zinc/78/59/58/505785958.db2.gz MXIJIYZQDIKLLD-OXJNMPFZSA-N 2 0 365.481 3.133 20 0 FGADRP Cc1ccc([C@H](CNC(=O)NC2CC[NH+](C(C)C)CC2)[NH+]2CCCC2)cc1 ZINC000141766825 495509912 /nfs/dbraw/zinc/50/99/12/495509912.db2.gz CUVMNDYAPPNPCK-NRFANRHFSA-N 2 0 372.557 3.304 20 0 FGADRP CCC[NH+]1CCC(NC(=O)NC[C@@H](c2ccsc2)[NH+](CC)CC)CC1 ZINC000107327408 495525158 /nfs/dbraw/zinc/52/51/58/495525158.db2.gz ZEZWGCUJTRESST-SFHVURJKSA-N 2 0 366.575 3.305 20 0 FGADRP CC[NH+]1CCN([C@H]2CC[N@H+](CCCOc3cccc4ccccc43)C2)CC1 ZINC000107368145 495525844 /nfs/dbraw/zinc/52/58/44/495525844.db2.gz FCVKUXZONREHDF-NRFANRHFSA-N 2 0 367.537 3.321 20 0 FGADRP Cc1cc([C@H](C)[NH2+]Cc2cccnc2N2CC[NH+](C)CC2)cc(C)c1F ZINC000158540069 495533582 /nfs/dbraw/zinc/53/35/82/495533582.db2.gz SPLAQXCFDVSZQP-KRWDZBQOSA-N 2 0 356.489 3.440 20 0 FGADRP C[C@H](NC(=O)NCCC[NH+]1CCC(C)CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182375857 495538191 /nfs/dbraw/zinc/53/81/91/495538191.db2.gz VQXXHOVZEKNNMH-OALUTQOASA-N 2 0 364.578 3.061 20 0 FGADRP C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000580568704 505788211 /nfs/dbraw/zinc/78/82/11/505788211.db2.gz NYLOEDJPUIXBIA-KIZRIRGWSA-N 2 0 369.553 3.372 20 0 FGADRP CC[NH+](CC)[C@H](C(=O)N1CCC[C@@H]([NH3+])C1)c1cccc(C(F)(F)F)c1 ZINC000158591836 495545122 /nfs/dbraw/zinc/54/51/22/495545122.db2.gz JAPJYBYBQNNGIY-CVEARBPZSA-N 2 0 357.420 3.038 20 0 FGADRP C[C@H]([NH2+]C(C)(C)CNC(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1)c1ccccc1 ZINC000176210966 495548557 /nfs/dbraw/zinc/54/85/57/495548557.db2.gz BQKWBNHHQPMSSM-UHOSZYNNSA-N 2 0 360.546 3.288 20 0 FGADRP O[C@H](C[NH2+]C1CC[NH+](C2CCCC2)CC1)COc1ccc(Cl)cc1 ZINC000574512179 505789254 /nfs/dbraw/zinc/78/92/54/505789254.db2.gz LVZZZBAOHFHEAU-GOSISDBHSA-N 2 0 352.906 3.076 20 0 FGADRP CC[NH+]1CCN(CCC[NH2+][C@@H](C)c2sc(C(C)(C)C)nc2C)CC1 ZINC000154301751 495574082 /nfs/dbraw/zinc/57/40/82/495574082.db2.gz BMRQKCHHYXAOEX-HNNXBMFYSA-N 2 0 352.592 3.427 20 0 FGADRP C[C@H]([NH2+]CCCC[NH+]1CCN(C)CC1)c1ccc(F)c(Br)c1 ZINC000154350611 495589004 /nfs/dbraw/zinc/58/90/04/495589004.db2.gz OEXSBDCUBAIZAK-AWEZNQCLSA-N 2 0 372.326 3.266 20 0 FGADRP Cc1ccc(OC(F)F)c([C@H](C)NC[C@H](O)C[NH+]2CCC(C)CC2)c1 ZINC000158892928 495609765 /nfs/dbraw/zinc/60/97/65/495609765.db2.gz NVUTXQSWEVIATJ-HOTGVXAUSA-N 2 0 356.457 3.340 20 0 FGADRP OC[C@@]1(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)C[C@@H]1c1ccccc1 ZINC000571693979 505792356 /nfs/dbraw/zinc/79/23/56/505792356.db2.gz FDOMTMJSHJVRRK-RPWUZVMVSA-N 2 0 364.533 3.449 20 0 FGADRP CC(C)[NH+]1CCC(NC(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)CC1 ZINC000170882756 495640074 /nfs/dbraw/zinc/64/00/74/495640074.db2.gz MDMYQUSQTMIITR-IBGZPJMESA-N 2 0 364.578 3.157 20 0 FGADRP C[C@H](NC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182644603 495647047 /nfs/dbraw/zinc/64/70/47/495647047.db2.gz OTRNGAUXDYYQFW-LNLFQRSKSA-N 2 0 366.594 3.305 20 0 FGADRP C[NH+](C)CCCC1CCN(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)CC1 ZINC000179581257 495648664 /nfs/dbraw/zinc/64/86/64/495648664.db2.gz IIAPHRFXRSLOIY-RTWAWAEBSA-N 2 0 372.557 3.195 20 0 FGADRP CCc1nc(C)c([C@H](C)[NH2+]Cc2ccnc(N3CC[NH+](C)CC3)c2)s1 ZINC000159126510 495665189 /nfs/dbraw/zinc/66/51/89/495665189.db2.gz MFEVJVCVIRRCGC-AWEZNQCLSA-N 2 0 359.543 3.012 20 0 FGADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N(C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000173752435 495677299 /nfs/dbraw/zinc/67/72/99/495677299.db2.gz CYYFHSDNLMZFTH-PXNSSMCTSA-N 2 0 360.546 3.151 20 0 FGADRP C[NH+](C)CCN1CCC([NH2+][C@@H]2CCCOc3ccc(Cl)cc32)CC1 ZINC000150949828 495691433 /nfs/dbraw/zinc/69/14/33/495691433.db2.gz VNHMENJUIAVQGB-GOSISDBHSA-N 2 0 351.922 3.169 20 0 FGADRP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2cc(=O)n3ccccc3n2)CC1 ZINC000151142119 495751372 /nfs/dbraw/zinc/75/13/72/495751372.db2.gz HVVPWBLWZSUUEG-SFHVURJKSA-N 2 0 368.525 3.171 20 0 FGADRP CN(CC(=O)Nc1ccc(Cl)cn1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000173977320 495771810 /nfs/dbraw/zinc/77/18/10/495771810.db2.gz SXQSUYKWXWNVIX-QGZVFWFLSA-N 2 0 372.900 3.127 20 0 FGADRP COc1ncc(C[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1Cl ZINC000574563298 505802598 /nfs/dbraw/zinc/80/25/98/505802598.db2.gz YHSDNEULBJPVEJ-VQIMIIECSA-N 2 0 359.857 3.089 20 0 FGADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@@H]1CCCc2nc(-c3ccccc3)sc21 ZINC000154925862 495774145 /nfs/dbraw/zinc/77/41/45/495774145.db2.gz FPLMTPADQDGESB-FUHWJXTLSA-N 2 0 370.566 3.413 20 0 FGADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@H]1CCCc2nc(-c3ccccc3)sc21 ZINC000154926088 495774168 /nfs/dbraw/zinc/77/41/68/495774168.db2.gz FPLMTPADQDGESB-WMZOPIPTSA-N 2 0 370.566 3.413 20 0 FGADRP Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000182962671 495777145 /nfs/dbraw/zinc/77/71/45/495777145.db2.gz UTSMCAQSIYLEKD-LJQANCHMSA-N 2 0 374.573 3.015 20 0 FGADRP C[C@H]1[C@@H]([NH+]2CCCC2)CCN1Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000580637204 505803133 /nfs/dbraw/zinc/80/31/33/505803133.db2.gz YESJCLGWTIPQCB-UGKGYDQZSA-N 2 0 370.585 3.276 20 0 FGADRP C/C=C/COc1ccc(CC[C@H](C)[NH2+][C@@H](C)CN2CC[NH+](C)CC2)cc1 ZINC000154995663 495797573 /nfs/dbraw/zinc/79/75/73/495797573.db2.gz AEVGXHOTYQNEDZ-KJBZUCPPSA-N 2 0 359.558 3.188 20 0 FGADRP Cc1nc(-c2cc([C@H](C)[NH2+][C@H](C)CN3CC[NH+](C)CC3)cs2)cs1 ZINC000155001724 495800726 /nfs/dbraw/zinc/80/07/26/495800726.db2.gz KFNMIBADUVOIKJ-KGLIPLIRSA-N 2 0 364.584 3.467 20 0 FGADRP C[N@@H+](Cc1ccccc1)CC1CC[NH+](C[C@H](O)Cc2ccccc2)CC1 ZINC000171384543 495848754 /nfs/dbraw/zinc/84/87/54/495848754.db2.gz FJLVUXQJHRZESN-HSZRJFAPSA-N 2 0 352.522 3.434 20 0 FGADRP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2CC([NH2+][C@H]2CCN(c4ccccn4)C2)C3)cc1 ZINC000180167647 495889695 /nfs/dbraw/zinc/88/96/95/495889695.db2.gz HHEFVXZJJJAXOS-MJLAPFRSSA-N 2 0 362.521 3.446 20 0 FGADRP O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000171575793 495932084 /nfs/dbraw/zinc/93/20/84/495932084.db2.gz JIEGNIDOWMDFSR-RTWAWAEBSA-N 2 0 370.541 3.093 20 0 FGADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)NC2CC[NH+](CC3CCCC3)CC2)C1 ZINC000171667984 495981583 /nfs/dbraw/zinc/98/15/83/495981583.db2.gz GROBEIDDDIZIGD-LJQANCHMSA-N 2 0 364.578 3.061 20 0 FGADRP Cc1cc(C)cc([C@H]2CC[N@@H+](CC(=O)NC3CC[NH+](C(C)C)CC3)C2)c1 ZINC000183486198 496005415 /nfs/dbraw/zinc/00/54/15/496005415.db2.gz GLJRPPOSUDKXKJ-IBGZPJMESA-N 2 0 357.542 3.082 20 0 FGADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]CCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000183498962 496010620 /nfs/dbraw/zinc/01/06/20/496010620.db2.gz QGPDSEIUNZTAOV-KNKQGSTJSA-N 3 0 359.558 3.022 20 0 FGADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H](C)[C@@H](C)c2nc3ccccc3s2)CC1 ZINC000155655951 496026882 /nfs/dbraw/zinc/02/68/82/496026882.db2.gz XDWIWDYFSMHRIL-BRWVUGGUSA-N 2 0 360.571 3.404 20 0 FGADRP CC[C@@H]([NH2+]C[C@H](C)N1CC[NH+](CC)CC1)c1ccccc1OC(F)F ZINC000155695810 496038307 /nfs/dbraw/zinc/03/83/07/496038307.db2.gz FZDVVUYULWVRPA-DOTOQJQBSA-N 2 0 355.473 3.355 20 0 FGADRP CC[C@H]([NH2+]C[C@H](C)N1CC[NH+](CC)CC1)c1ccc(OC(F)F)cc1 ZINC000155716046 496045292 /nfs/dbraw/zinc/04/52/92/496045292.db2.gz YSZIPRGZAJCTKZ-YJBOKZPZSA-N 2 0 355.473 3.355 20 0 FGADRP Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+][C@H](C)CCN1CC[NH+](C)CC1 ZINC000186565987 496048944 /nfs/dbraw/zinc/04/89/44/496048944.db2.gz NCJKYKIXQFLFMC-CVEARBPZSA-N 2 0 373.570 3.190 20 0 FGADRP Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+][C@@H](C)CCN1CC[NH+](C)CC1 ZINC000186577197 496053626 /nfs/dbraw/zinc/05/36/26/496053626.db2.gz IONALTSOGJUPDC-GJZGRUSLSA-N 2 0 352.592 3.426 20 0 FGADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@H](C)c1ccc(F)cc1OC(F)F ZINC000186586334 496057601 /nfs/dbraw/zinc/05/76/01/496057601.db2.gz UWNXSKYUWIAZFM-ZIAGYGMSSA-N 2 0 359.436 3.104 20 0 FGADRP COc1ccc(OC(F)F)c(C[NH2+]CCCC[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC000171841443 496058820 /nfs/dbraw/zinc/05/88/20/496058820.db2.gz TVBBRUROPFLDOA-GJZGRUSLSA-N 2 0 372.456 3.276 20 0 FGADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]C[C@H](C)c1cccc(Br)c1 ZINC000186596203 496065012 /nfs/dbraw/zinc/06/50/12/496065012.db2.gz MHCUXEKEMOULRX-JKSUJKDBSA-N 2 0 368.363 3.168 20 0 FGADRP C[NH+](C)CCn1ccc2ccc(NC(=O)[C@H]3C[NH2+]Cc4ccccc43)cc21 ZINC000580717505 505822280 /nfs/dbraw/zinc/82/22/80/505822280.db2.gz GTYSQFSVXOPGJJ-FQEVSTJZSA-N 2 0 362.477 3.028 20 0 FGADRP C[NH+](C)Cc1cccc(C(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)c1 ZINC000155852358 496088652 /nfs/dbraw/zinc/08/86/52/496088652.db2.gz HGAUYSYRNLRWIM-UHFFFAOYSA-N 2 0 369.484 3.282 20 0 FGADRP O=C(C[NH+]1C[C@H]2CCCC[C@@H]2C1)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000177521238 496095466 /nfs/dbraw/zinc/09/54/66/496095466.db2.gz HRHQJUIYSRSLRQ-RTBURBONSA-N 2 0 373.566 3.296 20 0 FGADRP Cc1oc2ccccc2c1C[NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000155966457 496119558 /nfs/dbraw/zinc/11/95/58/496119558.db2.gz KIMHOOIYSVEONQ-UHFFFAOYSA-N 2 0 365.477 3.322 20 0 FGADRP C[NH+](C)Cc1cccc(C(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)c1 ZINC000156039986 496140365 /nfs/dbraw/zinc/14/03/65/496140365.db2.gz CBAKBNYPJVWICS-GOSISDBHSA-N 2 0 371.550 3.452 20 0 FGADRP C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000152451560 496156895 /nfs/dbraw/zinc/15/68/95/496156895.db2.gz NJKHWAPGWNLBPR-HZPDHXFCSA-N 2 0 363.933 3.151 20 0 FGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCCn2cnc3ccccc32)[C@H](C)C1 ZINC000161548622 496195788 /nfs/dbraw/zinc/19/57/88/496195788.db2.gz QUXULYHOIYCHOG-RTBURBONSA-N 2 0 358.530 3.153 20 0 FGADRP CC[N@H+](C)C[C@H]1CCN(CC(=O)N(Cc2ccco2)Cc2ccccc2)C1 ZINC000177838386 496217513 /nfs/dbraw/zinc/21/75/13/496217513.db2.gz VWMOWQWSULHLGB-HXUWFJFHSA-N 2 0 369.509 3.082 20 0 FGADRP OC1CC[NH+](Cc2ccc(C[NH2+]CC3Cc4ccccc4C3)cc2)CC1 ZINC000574682742 505830841 /nfs/dbraw/zinc/83/08/41/505830841.db2.gz UJNPZESADUYDDH-UHFFFAOYSA-N 2 0 350.506 3.148 20 0 FGADRP C[NH+](C)Cc1cccc(NC(=O)NCC[N@H+](C)Cc2ccc(F)cc2)c1 ZINC000175171694 496276646 /nfs/dbraw/zinc/27/66/46/496276646.db2.gz MDFFTOAZHSQJDH-UHFFFAOYSA-N 2 0 358.461 3.141 20 0 FGADRP CN(C(=O)CC1(C[NH3+])CCCCC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000184234413 496298661 /nfs/dbraw/zinc/29/86/61/496298661.db2.gz AMWRNLHPVJUVSY-UHFFFAOYSA-N 2 0 357.542 3.409 20 0 FGADRP Cc1ccc(NC(=O)N2CCC[C@@H]2C[NH+]2CCCC2)c(OCC[NH+](C)C)c1 ZINC000172501499 496319520 /nfs/dbraw/zinc/31/95/20/496319520.db2.gz SHWBSCYKOBFGLQ-GOSISDBHSA-N 2 0 374.529 3.028 20 0 FGADRP COc1cc(Br)ccc1CCC[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000184332209 496339506 /nfs/dbraw/zinc/33/95/06/496339506.db2.gz XXMGRLAQKGGINR-XJKSGUPXSA-N 2 0 355.320 3.463 20 0 FGADRP C[C@H]1CCC[C@@H]([NH+]2CCC(NCc3ccncc3OCC[NH+](C)C)CC2)C1 ZINC000571886425 505838267 /nfs/dbraw/zinc/83/82/67/505838267.db2.gz UHTZETYFDFNDHR-GHTZIAJQSA-N 2 0 374.573 3.155 20 0 FGADRP C[C@H](CCNC(=O)NC1CC[NH+](CC2CC2)CC1)[N@H+](C)Cc1ccccc1 ZINC000175338237 496346246 /nfs/dbraw/zinc/34/62/46/496346246.db2.gz NYWWTTWYDFLBFX-GOSISDBHSA-N 2 0 372.557 3.071 20 0 FGADRP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+][C@H]2CCO[C@H](C3CC3)C2)CC1 ZINC000156860933 496351095 /nfs/dbraw/zinc/35/10/95/496351095.db2.gz VZLPVEPKJBXCFK-JXFKEZNVSA-N 2 0 363.933 3.139 20 0 FGADRP C[NH+]1CCC(CCNC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000162909422 496432469 /nfs/dbraw/zinc/43/24/69/496432469.db2.gz YJKRVBLZKPOTOI-UHFFFAOYSA-N 2 0 357.542 3.137 20 0 FGADRP CC(C)C[C@@H](NC(=O)NCCN1CCC([NH+](C)C)CC1)c1ccccc1 ZINC000175545952 496435936 /nfs/dbraw/zinc/43/59/36/496435936.db2.gz PQBNPZQGEIEBLH-HXUWFJFHSA-N 2 0 360.546 3.099 20 0 FGADRP CC[NH+](CC)[C@@H](C(=O)NC[C@@H]([NH3+])C(C)C)c1cccc(C(F)(F)F)c1 ZINC000157332909 496456176 /nfs/dbraw/zinc/45/61/76/496456176.db2.gz YHBFTQFETCEHAJ-HZPDHXFCSA-N 2 0 359.436 3.188 20 0 FGADRP CC1CC[NH+](CCCCNC(=O)NC2CC[NH+](C3CCCC3)CC2)CC1 ZINC000175612956 496464467 /nfs/dbraw/zinc/46/44/67/496464467.db2.gz OISOMRGTWKRTOV-UHFFFAOYSA-N 2 0 364.578 3.205 20 0 FGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]CCc2cccnc2)CC1 ZINC000181639906 496482228 /nfs/dbraw/zinc/48/22/28/496482228.db2.gz MXIRSXZYCFTNTM-KRWDZBQOSA-N 2 0 356.489 3.256 20 0 FGADRP C[NH+](C)Cc1cccc(NC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000163218925 496483602 /nfs/dbraw/zinc/48/36/02/496483602.db2.gz YBIPIFXPPOPZTN-FXAWDEMLSA-N 2 0 356.514 3.229 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1cccc(SC)c1 ZINC000157634266 496521093 /nfs/dbraw/zinc/52/10/93/496521093.db2.gz JTTNMAQZZZKFDI-KRWDZBQOSA-N 2 0 364.559 3.288 20 0 FGADRP Cc1ccc([C@H](C)[NH2+]CC2CC[NH+](CC(=O)NC(C)(C)C)CC2)s1 ZINC000163491659 496522650 /nfs/dbraw/zinc/52/26/50/496522650.db2.gz HPMOAHBXAXCHBO-HNNXBMFYSA-N 2 0 351.560 3.334 20 0 FGADRP Cc1ccsc1[C@H](C)[NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000163516671 496526658 /nfs/dbraw/zinc/52/66/58/496526658.db2.gz VRIYNUVVQVLUCR-HNNXBMFYSA-N 2 0 351.560 3.334 20 0 FGADRP C[C@@H](C(=O)N(C)CC1CCN(c2cc[nH+]cc2)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000153670913 496538942 /nfs/dbraw/zinc/53/89/42/496538942.db2.gz PPGSNPWODNXXJJ-KSZLIROESA-N 2 0 358.530 3.018 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(SC)cc1 ZINC000157797913 496557112 /nfs/dbraw/zinc/55/71/12/496557112.db2.gz NPGVPYYGMIQGRM-QGZVFWFLSA-N 2 0 364.559 3.288 20 0 FGADRP O=C1C[C@H](C[NH2+]C2CC[NH+](C3CCCCC3)CC2)CN1Cc1ccccc1 ZINC000181819847 496559538 /nfs/dbraw/zinc/55/95/38/496559538.db2.gz JIKXQZBLQINYMU-HXUWFJFHSA-N 2 0 369.553 3.422 20 0 FGADRP FC(F)CN1CCC([NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000163934097 496571483 /nfs/dbraw/zinc/57/14/83/496571483.db2.gz GAAGBASYDCPWSV-UHFFFAOYSA-N 2 0 351.485 3.492 20 0 FGADRP C[C@H]([NH2+]CCCC[NH+]1CCN(Cc2ccccc2)CC1)c1cncs1 ZINC000163930226 496572045 /nfs/dbraw/zinc/57/20/45/496572045.db2.gz SDTNHCVYSHHKKI-SFHVURJKSA-N 2 0 358.555 3.392 20 0 FGADRP CC[C@H]1CN(C(=O)c2ccc(C[NH+](C)C)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000184918199 496583522 /nfs/dbraw/zinc/58/35/22/496583522.db2.gz UGWQTIQLMRGGKZ-QFIPXVFZSA-N 2 0 365.521 3.485 20 0 FGADRP CC[NH+](CC)CCOc1ccc(NC(=O)C[C@H](C)[C@H]2CCC[NH2+]C2)cc1 ZINC000164305230 496602990 /nfs/dbraw/zinc/60/29/90/496602990.db2.gz PEKDDUIKPCKEIO-ROUUACIJSA-N 2 0 361.530 3.372 20 0 FGADRP C[C@H]1C[NH+](CCCC[NH2+]Cc2nc3cc(Cl)ccc3n2C)C[C@H](C)O1 ZINC000178894974 496608087 /nfs/dbraw/zinc/60/80/87/496608087.db2.gz LNRKGHJMHOYUDZ-GJZGRUSLSA-N 2 0 364.921 3.206 20 0 FGADRP CC1CC[NH+](Cc2ccc(NC(=O)[C@@H]([NH3+])Cc3ccccc3)cc2)CC1 ZINC000164558295 496619496 /nfs/dbraw/zinc/61/94/96/496619496.db2.gz UMAMSKVWIMBILG-NRFANRHFSA-N 2 0 351.494 3.427 20 0 FGADRP O=C(Nc1cc(Cl)cc(Cl)c1)[C@@H]1CCC[N@@H+]1CC1CC[NH2+]CC1 ZINC000178958893 496629922 /nfs/dbraw/zinc/62/99/22/496629922.db2.gz HBXBQMUIFYJOPZ-INIZCTEOSA-N 2 0 356.297 3.396 20 0 FGADRP CC(C)[NH+]1CCC([NH2+][C@H]2CCN(c3ccc(Br)cc3)C2)CC1 ZINC000164760367 496630652 /nfs/dbraw/zinc/63/06/52/496630652.db2.gz LLEBMYKVNJWHBN-KRWDZBQOSA-N 2 0 366.347 3.490 20 0 FGADRP FC(F)(F)c1ccc(CN2CCC[N@H+](CC3CC[NH2+]CC3)CC2)cc1 ZINC000178978312 496634272 /nfs/dbraw/zinc/63/42/72/496634272.db2.gz YBCKKLDAOZCEIQ-UHFFFAOYSA-N 2 0 355.448 3.213 20 0 FGADRP COc1cc(C)c([C@@H](C)[NH2+]CC2(SC)CC[NH+](C)CC2)cc1OC ZINC000571963438 505856401 /nfs/dbraw/zinc/85/64/01/505856401.db2.gz HULBLSCHUGAWEF-OAHLLOKOSA-N 2 0 352.544 3.490 20 0 FGADRP CCO[C@@H]1C[C@H]([NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)C12CCCCC2 ZINC000182029379 496642425 /nfs/dbraw/zinc/64/24/25/496642425.db2.gz ZSCLKWUKCNPEOW-IVAOSVALSA-N 2 0 364.574 3.472 20 0 FGADRP C[C@@H](NC(=O)NCC1CC[NH+](Cc2ccccc2)CC1)C(C)(C)C[NH+](C)C ZINC000176014679 496642850 /nfs/dbraw/zinc/64/28/50/496642850.db2.gz HAUQNTWRSSOIDY-GOSISDBHSA-N 2 0 374.573 3.174 20 0 FGADRP C[C@@H](Cn1cc(Br)cn1)[NH2+]CCCC[NH+]1CCC(C)CC1 ZINC000158182511 496644666 /nfs/dbraw/zinc/64/46/66/496644666.db2.gz KRXDKXRTFFFCGW-HNNXBMFYSA-N 2 0 357.340 3.136 20 0 FGADRP C[NH+](C)Cc1cccc(NC(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)c1 ZINC000179015308 496645964 /nfs/dbraw/zinc/64/59/64/496645964.db2.gz DPEFMSKINHCSCZ-UXHICEINSA-N 2 0 352.482 3.315 20 0 FGADRP CN(C)C(=O)c1cccc(CC[NH2+]C2CC[NH+](C3CCCCC3)CC2)c1 ZINC000165082982 496647530 /nfs/dbraw/zinc/64/75/30/496647530.db2.gz HHTJAFMCLIGFJV-UHFFFAOYSA-N 2 0 357.542 3.318 20 0 FGADRP CC1CC[NH+](CCCC[NH2+][C@H]2CCN(Cc3ccccn3)C[C@@H]2C)CC1 ZINC000158202621 496649374 /nfs/dbraw/zinc/64/93/74/496649374.db2.gz SBZKHXOPJYUMOL-UNMCSNQZSA-N 2 0 358.574 3.394 20 0 FGADRP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2F)CC1)[C@H]([NH3+])c1ccccc1 ZINC000165159389 496650092 /nfs/dbraw/zinc/65/00/92/496650092.db2.gz NLAHNOCQHUOPDK-KKSFZXQISA-N 2 0 369.484 3.242 20 0 FGADRP COc1cc([C@@H](C)[NH2+]CC2(N3CCCCC3)CC[NH+](C)CC2)ccc1F ZINC000154031300 496660260 /nfs/dbraw/zinc/66/02/60/496660260.db2.gz LHFVGMGTLUHIGX-QGZVFWFLSA-N 2 0 363.521 3.435 20 0 FGADRP CC(=O)Nc1ccc(CC[NH2+][C@@H](C)c2ccc(OCC[NH+](C)C)cc2)cc1 ZINC000165591123 496662268 /nfs/dbraw/zinc/66/22/68/496662268.db2.gz JZTVTCSIHCDZIN-KRWDZBQOSA-N 2 0 369.509 3.479 20 0 FGADRP CC(C)(NCc1ccc(-n2ccnc2)cc1)c1cn(-c2ccccc2)nn1 ZINC000154059699 496670903 /nfs/dbraw/zinc/67/09/03/496670903.db2.gz JWESQESPQKXCOG-UHFFFAOYSA-N 2 0 358.449 3.478 20 0 FGADRP C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N(C)CC[NH+](C)C2CC2)C1 ZINC000185125427 496671346 /nfs/dbraw/zinc/67/13/46/496671346.db2.gz BJQWIYDZCPFICZ-GOSISDBHSA-N 2 0 372.557 3.154 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)[C@@H]1CCC[NH2+]C1)c1ccc(C(F)(F)F)cc1 ZINC000166241798 496681635 /nfs/dbraw/zinc/68/16/35/496681635.db2.gz XLLXRDNTUUNDKW-WBVHZDCISA-N 2 0 371.447 3.204 20 0 FGADRP CC[N@@H+]1CC[C@@H]([NH2+]CCC(=O)Nc2cc(C)c(Cl)cc2OC)[C@H](C)C1 ZINC000158384782 496689423 /nfs/dbraw/zinc/68/94/23/496689423.db2.gz IDSAZKOSYNCCJJ-GDBMZVCRSA-N 2 0 367.921 3.306 20 0 FGADRP COc1cc(Cl)c(C)cc1NC(=O)CC[NH2+][C@H]1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000158388704 496691141 /nfs/dbraw/zinc/69/11/41/496691141.db2.gz JIMHTPSFMVLGGK-DZKIICNBSA-N 2 0 367.921 3.304 20 0 FGADRP C[N@@H+]1CC[C@H](NC(=O)NCCCCC[NH+]2CCCCC2)[C@@H]1c1ccccc1 ZINC000179158132 496696912 /nfs/dbraw/zinc/69/69/12/496696912.db2.gz PDFBQKLNRGBOAU-SFTDATJTSA-N 2 0 372.557 3.387 20 0 FGADRP C[C@H]1CCc2c(F)cccc2[C@H]1[NH2+]Cc1cccnc1N1CC[NH+](C)CC1 ZINC000158436544 496702225 /nfs/dbraw/zinc/70/22/25/496702225.db2.gz ISUYWYZAQVEYIN-KKSFZXQISA-N 2 0 368.500 3.386 20 0 FGADRP C[NH+]1CCN(c2ncccc2C[NH2+][C@@H]2CCSc3ccccc32)CC1 ZINC000158455766 496705897 /nfs/dbraw/zinc/70/58/97/496705897.db2.gz SLACOFKZZFYSRQ-GOSISDBHSA-N 2 0 354.523 3.160 20 0 FGADRP C[C@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)c1cc2c(s1)CCC2 ZINC000158486780 496712540 /nfs/dbraw/zinc/71/25/40/496712540.db2.gz UIAXYBVIEOVEMM-HNNXBMFYSA-N 2 0 356.539 3.234 20 0 FGADRP CC[NH+](CC)Cc1ccc(CNC(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)cc1 ZINC000182252980 496720740 /nfs/dbraw/zinc/72/07/40/496720740.db2.gz FFPPJENXBFMHGQ-LEWJYISDSA-N 2 0 372.557 3.154 20 0 FGADRP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)c2ccccc2CC[NH3+])CC1 ZINC000580900314 505864268 /nfs/dbraw/zinc/86/42/68/505864268.db2.gz NPJZQGLFINVYPN-QGZVFWFLSA-N 2 0 351.494 3.143 20 0 FGADRP CC(C)[NH+]1CCN(CCCN2CCO[C@H](c3ccc(Cl)cc3)C2)CC1 ZINC000191456182 496769384 /nfs/dbraw/zinc/76/93/84/496769384.db2.gz RCMFBXPDQMUKBU-FQEVSTJZSA-N 2 0 365.949 3.129 20 0 FGADRP C[NH+]1CCC(CC(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)CC1 ZINC000273317284 496772859 /nfs/dbraw/zinc/77/28/59/496772859.db2.gz YGWAXWUTPVGEQD-UHFFFAOYSA-N 2 0 363.933 3.153 20 0 FGADRP C[NH+](C)CCC[NH2+][C@H](c1cccc(Br)c1)C1CCOCC1 ZINC000191485410 496780147 /nfs/dbraw/zinc/78/01/47/496780147.db2.gz VFQZJKRDLXEQGW-KRWDZBQOSA-N 2 0 355.320 3.458 20 0 FGADRP CCC[C@@H]([NH2+]Cc1ccc(C(=O)N2CCN(C)CC2)cc1)c1cccnc1 ZINC000273368553 496785294 /nfs/dbraw/zinc/78/52/94/496785294.db2.gz FLMKBICKFPHVIM-OAQYLSRUSA-N 2 0 366.509 3.100 20 0 FGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCOc2ccc(Cl)cc2)[C@@H](C)C1 ZINC000247138593 496789496 /nfs/dbraw/zinc/78/94/96/496789496.db2.gz VZAHGOJWMDENEM-QFBILLFUSA-N 2 0 354.922 3.445 20 0 FGADRP CCc1nc(C)c([C@H](C)[N@H+](C)CCCN2CC[NH+](C(C)C)CC2)s1 ZINC000191509132 496790184 /nfs/dbraw/zinc/79/01/84/496790184.db2.gz OUOSFTVUPYIJQY-KRWDZBQOSA-N 2 0 352.592 3.423 20 0 FGADRP COC[C@@H]1CCC[NH+](Cc2ccc(C[N@H+]3CCC[C@@H](COC)C3)cc2)C1 ZINC000247135181 496790359 /nfs/dbraw/zinc/79/03/59/496790359.db2.gz XLWTYYBIDJJXIQ-FGZHOGPDSA-N 2 0 360.542 3.403 20 0 FGADRP OCC1(C[N@@H+]2CCCCC[C@H]2C2CC[NH+](Cc3ccccc3)CC2)COC1 ZINC000572000716 505866457 /nfs/dbraw/zinc/86/64/57/505866457.db2.gz GOKLFDOGEVFMQE-QFIPXVFZSA-N 2 0 372.553 3.152 20 0 FGADRP CCOc1ccc([C@H](C)[NH2+]CCCN2CC[NH+](CC)CC2)cc1OCC ZINC000268840512 496800134 /nfs/dbraw/zinc/80/01/34/496800134.db2.gz UDTCAOQQTLMADV-SFHVURJKSA-N 2 0 363.546 3.162 20 0 FGADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](c2ccccc2Cl)N2CCOCC2)[C@@H](C)C1 ZINC000247183458 496801018 /nfs/dbraw/zinc/80/10/18/496801018.db2.gz VITAXXJTAYUQAW-FFZOFVMBSA-N 2 0 365.949 3.033 20 0 FGADRP CC(C)[NH+]1CCN(CCC[N@H+](CCCO)[C@H]2CCCc3ccccc32)CC1 ZINC000191533649 496801255 /nfs/dbraw/zinc/80/12/55/496801255.db2.gz IXGZSPXXWJYGTR-QHCPKHFHSA-N 2 0 373.585 3.165 20 0 FGADRP CN1CCN(C)[C@H](C[NH2+][C@@H]2CCCc3nc(-c4ccccc4)sc32)C1 ZINC000268866228 496809360 /nfs/dbraw/zinc/80/93/60/496809360.db2.gz FKVDZSCPRSBMTB-IAGOWNOFSA-N 2 0 356.539 3.023 20 0 FGADRP C[C@H]([NH2+]Cc1cccc(-n2cncn2)c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000268933229 496827425 /nfs/dbraw/zinc/82/74/25/496827425.db2.gz RDBNNUFLIJGTLU-KRWDZBQOSA-N 2 0 365.481 3.059 20 0 FGADRP C[C@H]([NH2+]C[C@H](CCO)c1ccccc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000268988774 496843831 /nfs/dbraw/zinc/84/38/31/496843831.db2.gz LWZDRVZLCLLJAQ-RXVVDRJESA-N 2 0 356.510 3.444 20 0 FGADRP O=C(c1ccc(C[NH+]2CCCC2)cc1)N1CCC([NH+]2CCCCC2)CC1 ZINC000264260872 496854966 /nfs/dbraw/zinc/85/49/66/496854966.db2.gz PNVUOPPVBQJAAS-UHFFFAOYSA-N 2 0 355.526 3.373 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)C1CC[NH+](C2CC2)CC1)c1cccc(OC)c1 ZINC000195318490 496886678 /nfs/dbraw/zinc/88/66/78/496886678.db2.gz YDZJHCMCZRCEFW-NRFANRHFSA-N 2 0 373.541 3.069 20 0 FGADRP CCOc1cc(C[NH2+]Cc2ccc(OCCC[NH+](C)C)cc2)ccc1O ZINC000264402827 496893402 /nfs/dbraw/zinc/89/34/02/496893402.db2.gz WGSOLURLVLAPNX-UHFFFAOYSA-N 2 0 358.482 3.411 20 0 FGADRP COc1ccnc(N2CC[NH+](C[C@@H](C)Cc3ccc(OC)c(F)c3)CC2)c1 ZINC000569191437 505872721 /nfs/dbraw/zinc/87/27/21/505872721.db2.gz HDYPVWZWIWYJGU-INIZCTEOSA-N 2 0 373.472 3.239 20 0 FGADRP C[N@H+](C[C@@H](O)COCc1cccs1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000247697188 496907699 /nfs/dbraw/zinc/90/76/99/496907699.db2.gz WYFVWMYFQLIMEY-VQTJNVASSA-N 2 0 374.550 3.080 20 0 FGADRP C[C@H](C(=O)Nc1ccc(N2CCC[N@H+](C)CC2)cc1)[C@@H]([NH3+])c1ccccc1 ZINC000269309326 496916120 /nfs/dbraw/zinc/91/61/20/496916120.db2.gz VPHVIFUWSDJPDI-LAUBAEHRSA-N 2 0 366.509 3.103 20 0 FGADRP C[C@@H](CNC(=O)N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1)[NH+](C)C1CC1 ZINC000247977930 496937532 /nfs/dbraw/zinc/93/75/32/496937532.db2.gz LQUVSDMJUJFQJH-MSOLQXFVSA-N 2 0 364.578 3.155 20 0 FGADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+][C@H]1CCCN(Cc2c(F)cccc2F)C1 ZINC000248180231 496969226 /nfs/dbraw/zinc/96/92/26/496969226.db2.gz WGXKRQGWANSGGQ-IHSNIMORSA-N 2 0 351.485 3.248 20 0 FGADRP C[NH+](C)CCCC[NH2+]Cc1nc(-c2cccc(Br)c2)c[nH]1 ZINC000264794592 496986293 /nfs/dbraw/zinc/98/62/93/496986293.db2.gz YBENDQPTXAZFIJ-UHFFFAOYSA-N 2 0 351.292 3.271 20 0 FGADRP Cn1cc(CCC[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)cn1 ZINC000248397631 496993712 /nfs/dbraw/zinc/99/37/12/496993712.db2.gz IFWTZSLJNIIYLZ-YPAWHYETSA-N 2 0 352.526 3.243 20 0 FGADRP CS[C@@H]1CCCC[NH+](CC2(C[N@H+]3CCCC[C@@H](SC)C3)COC2)C1 ZINC000248408293 496999573 /nfs/dbraw/zinc/99/95/73/496999573.db2.gz CAIDHYHLEMBAEU-QZTJIDSGSA-N 2 0 372.644 3.438 20 0 FGADRP c1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH2+]CCCOC4CCOCC4)[C@@H]3C2)cc1 ZINC000248409294 497001351 /nfs/dbraw/zinc/00/13/51/497001351.db2.gz WMLGQKNWNRYRHO-MDNUFGMLSA-N 2 0 372.553 3.462 20 0 FGADRP COc1ccc([C@@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CC[C@@H](O)C2)cc1OC ZINC000248435585 497010781 /nfs/dbraw/zinc/01/07/81/497010781.db2.gz FQTSRNKBWJZBKU-OXQOHEQNSA-N 2 0 370.493 3.121 20 0 FGADRP C(=C/C[NH+]1CCC([C@@H]2CCCO2)CC1)\C[NH+]1CCC([C@H]2CCCO2)CC1 ZINC000189202819 497043189 /nfs/dbraw/zinc/04/31/89/497043189.db2.gz VYHCKJDPWCDPCH-XFDDJKQHSA-N 2 0 362.558 3.325 20 0 FGADRP Cc1cc([C@@H](C)[NH2+]Cc2ccc(C(=O)N3CCN(C)CC3)cc2)c(C)o1 ZINC000278300959 497066895 /nfs/dbraw/zinc/06/68/95/497066895.db2.gz RVNAUAISBVLCAL-MRXNPFEDSA-N 2 0 355.482 3.135 20 0 FGADRP CC1CC[NH+](Cc2cccc(CNC(=O)[C@@H]([NH3+])c3ccccc3)c2)CC1 ZINC000236638884 497125472 /nfs/dbraw/zinc/12/54/72/497125472.db2.gz WEHOSVTWBQXEGR-NRFANRHFSA-N 2 0 351.494 3.235 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+]Cc2ccc3c(c2)sc(=O)n3C)C1 ZINC000192477402 497128032 /nfs/dbraw/zinc/12/80/32/497128032.db2.gz AQOAAQSDMCKFLK-IYBDPMFKSA-N 2 0 361.555 3.448 20 0 FGADRP CC1CC[NH+]([C@@H](CNC(=O)[C@H]2CC23CC[NH2+]CC3)c2cccs2)CC1 ZINC000236728112 497138231 /nfs/dbraw/zinc/13/82/31/497138231.db2.gz PTOIHTSQYYPNOL-SJORKVTESA-N 2 0 361.555 3.027 20 0 FGADRP CC1CC[NH+](Cc2ccc(CNC(=O)[C@@H]3C[C@H]4CCCC[C@@H]4[NH2+]3)cc2)CC1 ZINC000236721267 497138791 /nfs/dbraw/zinc/13/87/91/497138791.db2.gz WAWCCXQSKSGFGT-FSSWDIPSSA-N 2 0 369.553 3.455 20 0 FGADRP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@H]([NH3+])c1ccccc1 ZINC000236903892 497165878 /nfs/dbraw/zinc/16/58/78/497165878.db2.gz IBZVANBDCUZPTL-FPOVZHCZSA-N 2 0 351.494 3.057 20 0 FGADRP C[NH+](C)CCOc1ccc(NC(=O)[C@H]2[NH2+]CCc3ccccc32)cc1Cl ZINC000236975389 497174520 /nfs/dbraw/zinc/17/45/20/497174520.db2.gz VKUYXEBCCACDGF-IBGZPJMESA-N 2 0 373.884 3.106 20 0 FGADRP CCC(C)(C)[NH2+][C@H](C)C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cc1 ZINC000274846573 497181062 /nfs/dbraw/zinc/18/10/62/497181062.db2.gz VASFAVUFWIMASR-MRXNPFEDSA-N 2 0 360.546 3.322 20 0 FGADRP Cn1c2ccc(C[NH2+]Cc3cccc(C[NH+]4CCCC4)c3)cc2sc1=O ZINC000192673927 497182168 /nfs/dbraw/zinc/18/21/68/497182168.db2.gz BCQBPODNEMQKOV-UHFFFAOYSA-N 2 0 367.518 3.486 20 0 FGADRP C[C@H]([NH2+][C@@H]1CCN(c2ccccn2)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274866804 497186614 /nfs/dbraw/zinc/18/66/14/497186614.db2.gz DZQRWJGZMZKCRB-SESVDKBCSA-N 2 0 350.510 3.161 20 0 FGADRP O[C@H](CN1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1)CC(F)(F)F ZINC000249282563 497186658 /nfs/dbraw/zinc/18/66/58/497186658.db2.gz LCDLHQPWJKXRMX-SQNIBIBYSA-N 2 0 356.432 3.286 20 0 FGADRP C[NH+](C)CC1CCN(c2ccc(NC(=O)CCC3CC[NH2+]CC3)cc2)CC1 ZINC000237095127 497189950 /nfs/dbraw/zinc/18/99/50/497189950.db2.gz QDWAHPWNSDDYIS-UHFFFAOYSA-N 2 0 372.557 3.183 20 0 FGADRP C[NH+](C)CCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)C1CC[NH2+]CC1 ZINC000237100315 497191828 /nfs/dbraw/zinc/19/18/28/497191828.db2.gz DAPVXHYBXRZMRV-UHFFFAOYSA-N 2 0 372.340 3.273 20 0 FGADRP C[NH2+]Cc1ccccc1NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000237150544 497198237 /nfs/dbraw/zinc/19/82/37/497198237.db2.gz HCGYOFSBHPWCMU-GOSISDBHSA-N 2 0 355.457 3.396 20 0 FGADRP CN1c2ccc(C[N@@H+]3CC[C@H]4[C@@H](CCC[NH+]4C4CC4)C3)cc2CCC1=O ZINC000249460262 497207151 /nfs/dbraw/zinc/20/71/51/497207151.db2.gz QSLAUKASBRLBSY-RXVVDRJESA-N 2 0 353.510 3.044 20 0 FGADRP C[C@H](C(=O)N(C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1)[C@@H]([NH3+])c1ccccc1 ZINC000237399035 497230709 /nfs/dbraw/zinc/23/07/09/497230709.db2.gz TTWCDKHHJYCGTR-VLCRHTCISA-N 2 0 365.521 3.446 20 0 FGADRP C[C@@H]([NH2+]C1(CNC(=O)[C@@H]2CC23CC[NH2+]CC3)CCCC1)c1ccccc1 ZINC000237412821 497232903 /nfs/dbraw/zinc/23/29/03/497232903.db2.gz FUJAPVIRUZETMW-MJGOQNOKSA-N 2 0 355.526 3.156 20 0 FGADRP C[C@H](CC(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1)C1CC[NH2+]CC1 ZINC000237473159 497241869 /nfs/dbraw/zinc/24/18/69/497241869.db2.gz VUBOBVSHXPLKPJ-CQSZACIVSA-N 2 0 367.921 3.245 20 0 FGADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000249770066 497246722 /nfs/dbraw/zinc/24/67/22/497246722.db2.gz KPVOKPCVMZSCFA-MOPGFXCFSA-N 2 0 372.557 3.202 20 0 FGADRP C[C@H](CC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)C1CC[NH2+]CC1 ZINC000237506043 497247463 /nfs/dbraw/zinc/24/74/63/497247463.db2.gz XPBXUUQBPPNRIB-DXIQSLLYSA-N 2 0 371.569 3.381 20 0 FGADRP C[C@H](CC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1)C1CC[NH2+]CC1 ZINC000237672367 497273795 /nfs/dbraw/zinc/27/37/95/497273795.db2.gz ZPRNOHZLYHYNBS-GOSISDBHSA-N 2 0 357.542 3.315 20 0 FGADRP CCOc1ccc([C@@H](C)NC(=O)CCC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC000193017825 497275960 /nfs/dbraw/zinc/27/59/60/497275960.db2.gz ALNAFVPZMBTKQW-VOBGVNJCSA-N 2 0 373.541 3.258 20 0 FGADRP FC(F)(F)CN1CCC([NH2+]C[C@H](c2ccccc2)N2CCCC2)CC1 ZINC000237856245 497302752 /nfs/dbraw/zinc/30/27/52/497302752.db2.gz NJZRXKPQTUFPQU-GOSISDBHSA-N 2 0 355.448 3.440 20 0 FGADRP C[NH+]1CCC([C@@H]2CC[N@H+](Cc3cc4c(cc3OC(F)F)OCO4)C2)CC1 ZINC000569291069 505898120 /nfs/dbraw/zinc/89/81/20/505898120.db2.gz RMBTYGOFEPFKHQ-CQSZACIVSA-N 2 0 368.424 3.180 20 0 FGADRP [NH3+][C@@H](CCC(=O)N1CCC[N@H+](Cc2ccccc2)CC1)c1ccccc1 ZINC000237923598 497315072 /nfs/dbraw/zinc/31/50/72/497315072.db2.gz AEZJWECESIUDIR-NRFANRHFSA-N 2 0 351.494 3.201 20 0 FGADRP Cc1ccc(NC(=O)NC[C@H]2CCC[NH+](CC[C@H]3CCC[N@H+]3C)C2)cc1 ZINC000252656729 497315398 /nfs/dbraw/zinc/31/53/98/497315398.db2.gz NXEHSNNKFZLKHW-UYAOXDASSA-N 2 0 358.530 3.313 20 0 FGADRP [NH3+][C@@H](CCC(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1)c1ccccc1 ZINC000237939754 497317393 /nfs/dbraw/zinc/31/73/93/497317393.db2.gz OIBKEOMRGJSEPK-ROUUACIJSA-N 2 0 357.523 3.481 20 0 FGADRP [NH3+]Cc1ccc(C(=O)NCc2ccccc2C[NH+]2CCCCCC2)cc1 ZINC000237973054 497320804 /nfs/dbraw/zinc/32/08/04/497320804.db2.gz GXEOMTGIDCTLMX-UHFFFAOYSA-N 2 0 351.494 3.451 20 0 FGADRP CCN(CCC[NH+](C)C)C(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000190021545 497328081 /nfs/dbraw/zinc/32/80/81/497328081.db2.gz QMFUQOLWHMGUNR-UHFFFAOYSA-N 2 0 352.567 3.013 20 0 FGADRP C[C@@H](C[NH2+]CCCc1c(Cl)cccc1Cl)CN1CC[NH+](C)CC1 ZINC000193291912 497341860 /nfs/dbraw/zinc/34/18/60/497341860.db2.gz QXMISBUQHRSBPC-HNNXBMFYSA-N 2 0 358.357 3.399 20 0 FGADRP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@H]2O)CC1)c1cccc(Br)c1 ZINC000271472648 497357883 /nfs/dbraw/zinc/35/78/83/497357883.db2.gz HSPYVHILAKPUOO-DOPJRALCSA-N 2 0 367.331 3.478 20 0 FGADRP C[NH+](C)CCc1ccccc1NC(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C ZINC000275666432 497397909 /nfs/dbraw/zinc/39/79/09/497397909.db2.gz OMCPDPUUQRPYDW-FQEVSTJZSA-N 2 0 372.488 3.354 20 0 FGADRP C[C@H](C(=O)NC1CCCCC1)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000245430878 497401958 /nfs/dbraw/zinc/40/19/58/497401958.db2.gz AJBOKSZYQVZLKP-UYAOXDASSA-N 2 0 357.542 3.278 20 0 FGADRP Cc1cc(N2CCC([NH2+][C@@H](C)[C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)n[nH]1 ZINC000275814946 497438262 /nfs/dbraw/zinc/43/82/62/497438262.db2.gz CZBTZUGGGYZAAZ-AZUAARDMSA-N 2 0 367.541 3.187 20 0 FGADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CCC(=O)Nc3c(Cl)cccc3Cl)C[C@H]21 ZINC000261928584 497477384 /nfs/dbraw/zinc/47/73/84/497477384.db2.gz SLJXGHOEALIYDJ-LALPHHSUSA-N 2 0 356.297 3.381 20 0 FGADRP C[NH+](C)[C@H](CNC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1)c1cccs1 ZINC000245623167 497477897 /nfs/dbraw/zinc/47/78/97/497477897.db2.gz FRBGWIITSOFYPC-ZHALLVOQSA-N 2 0 372.538 3.095 20 0 FGADRP c1ccc(CC[N@@H+]2CC[C@H](C[NH2+][C@@H]3[C@@H]4CCO[C@H]4C34CCCC4)C2)cc1 ZINC000245641898 497484224 /nfs/dbraw/zinc/48/42/24/497484224.db2.gz XTSJLGMJHIWRGA-CIAFKFPVSA-N 2 0 354.538 3.488 20 0 FGADRP CCc1ccc([C@@H]2C[NH2+]CCN2C(=O)c2cccc(C[NH+](C)C)c2)cc1 ZINC000261976733 497486255 /nfs/dbraw/zinc/48/62/55/497486255.db2.gz NSYRCCPCXNCUEU-NRFANRHFSA-N 2 0 351.494 3.097 20 0 FGADRP CCN(C(=O)[C@@H]1CC12CC[NH2+]CC2)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000261987057 497487484 /nfs/dbraw/zinc/48/74/84/497487484.db2.gz XMFMUNOFAGGYKW-RLLQIKCJSA-N 2 0 355.526 3.060 20 0 FGADRP CCC[N@H+](CC)C[C@H](C)NC(=O)N[C@H](C)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000581105153 505909979 /nfs/dbraw/zinc/90/99/79/505909979.db2.gz OHFQOXMKFDYCAN-QKNQBKEWSA-N 2 0 374.573 3.317 20 0 FGADRP C[NH2+]CCC1CC[NH+]([C@H](C)C(=O)Nc2cccc(C(F)(F)F)c2)CC1 ZINC000261988448 497489454 /nfs/dbraw/zinc/48/94/54/497489454.db2.gz KYDDMTBZWVZHLC-CYBMUJFWSA-N 2 0 357.420 3.354 20 0 FGADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)N[C@@H]2CC[NH+](C)[C@H]2c2ccccc2)C1 ZINC000245677822 497498204 /nfs/dbraw/zinc/49/82/04/497498204.db2.gz UIOYKBPIZUYEPD-NRSPTQNISA-N 2 0 372.557 3.243 20 0 FGADRP C[NH+]1CCC(C[NH2+]CCSCc2ccccc2)(N2CCCCC2)CC1 ZINC000193910633 497517489 /nfs/dbraw/zinc/51/74/89/497517489.db2.gz JESXPYOVCHRXGM-UHFFFAOYSA-N 2 0 361.599 3.460 20 0 FGADRP Cc1nccn1CCC[N@@H+](C)[C@H](C)C(=O)N[C@H](C)c1ccc(Cl)cc1 ZINC000245739249 497523106 /nfs/dbraw/zinc/52/31/06/497523106.db2.gz XAKOLSHWILWXEJ-HUUCEWRRSA-N 2 0 362.905 3.433 20 0 FGADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+] ZINC000262231825 497527150 /nfs/dbraw/zinc/52/71/50/497527150.db2.gz GXECRVLYAWGMDS-OYXUHDIQSA-N 2 0 369.553 3.167 20 0 FGADRP CN(C)C(=O)C1(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CCCC1 ZINC000245750737 497528307 /nfs/dbraw/zinc/52/83/07/497528307.db2.gz TZFNQVFFTZZDIZ-MZADTFQBSA-N 2 0 369.553 3.420 20 0 FGADRP C[C@@H]1C[NH+](Cc2ccc(C[NH2+][C@@H]3[C@H]4CCO[C@H]4C34CCC4)cc2)C[C@@H](C)O1 ZINC000193958344 497533674 /nfs/dbraw/zinc/53/36/74/497533674.db2.gz XMQFXLVLQYMZJE-FXJJGOGXSA-N 2 0 370.537 3.343 20 0 FGADRP C[NH+](C)CCN1CCC([NH2+][C@@H]2CCc3ccc(Br)cc32)CC1 ZINC000193973453 497537410 /nfs/dbraw/zinc/53/74/10/497537410.db2.gz QBOFDIVKRJFPBJ-GOSISDBHSA-N 2 0 366.347 3.052 20 0 FGADRP CC[NH+](CC)Cc1ccc(NC(=O)[C@H]([NH2+]C2CCOCC2)C(C)C)cc1 ZINC000190617571 497547905 /nfs/dbraw/zinc/54/79/05/497547905.db2.gz CTAOEWWUQFMNGZ-HXUWFJFHSA-N 2 0 361.530 3.260 20 0 FGADRP C[C@@H](O)C[C@@H]1CCC[N@@H+]1Cc1ccccc1C[NH+]1CCC[C@H]1C[C@H](C)O ZINC000245919540 497571286 /nfs/dbraw/zinc/57/12/86/497571286.db2.gz WQVSTJMVJXQRJO-UDKICSLYSA-N 2 0 360.542 3.157 20 0 FGADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)[C@@H](C)C1 ZINC000245958918 497584186 /nfs/dbraw/zinc/58/41/86/497584186.db2.gz CKOJVFYYOMUIFO-GHTZIAJQSA-N 2 0 372.557 3.023 20 0 FGADRP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000262629323 497587359 /nfs/dbraw/zinc/58/73/59/497587359.db2.gz DCQDQLZVUXCWFC-XCSKNGGISA-N 2 0 369.553 3.278 20 0 FGADRP C[C@H]1C[C@H](NC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[N@@H+]1Cc1ccccc1 ZINC000262631497 497587952 /nfs/dbraw/zinc/58/79/52/497587952.db2.gz FLCPAVBBKZZZER-KXEVLKFVSA-N 2 0 355.526 3.076 20 0 FGADRP C[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)CC[N@@H+]1Cc1ccccc1 ZINC000262646418 497591022 /nfs/dbraw/zinc/59/10/22/497591022.db2.gz OHKAUDZTXLFGCK-PMXSJFBMSA-N 2 0 355.526 3.030 20 0 FGADRP CN(c1ccccc1C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1)C1CC[NH+](C)CC1 ZINC000246100565 497621888 /nfs/dbraw/zinc/62/18/88/497621888.db2.gz JFIKMAMSFNIGDP-SIKLNZKXSA-N 3 0 370.585 3.133 20 0 FGADRP CO[C@@H](C)c1noc(CN2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)n1 ZINC000246119187 497627778 /nfs/dbraw/zinc/62/77/78/497627778.db2.gz YJHKJBJTFBORIH-CVEARBPZSA-N 2 0 350.507 3.254 20 0 FGADRP CC[C@@H]([NH2+]C1CCN([C@@H](C)c2ccncc2)CC1)C1(C(=O)OC)CCC1 ZINC000272447219 497630760 /nfs/dbraw/zinc/63/07/60/497630760.db2.gz FPFCTQYXFNFSKT-QFBILLFUSA-N 2 0 359.514 3.319 20 0 FGADRP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N(C)[C@H]2CC[N@H+](C)C[C@H]2C)CC1 ZINC000246132489 497632340 /nfs/dbraw/zinc/63/23/40/497632340.db2.gz BBGRFBMUOVIIMV-OPYAIIAOSA-N 2 0 372.557 3.194 20 0 FGADRP C[NH+](C)[C@]1(CN[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CCSC1 ZINC000272467438 497636893 /nfs/dbraw/zinc/63/68/93/497636893.db2.gz ZUVIUEGWZWIPTE-WOZUAGRISA-N 2 0 359.583 3.209 20 0 FGADRP CCC(CC)(CNC(=O)[C@H]([NH3+])CCSC)[NH2+][C@@H](C)c1ccccc1 ZINC000272470842 497638352 /nfs/dbraw/zinc/63/83/52/497638352.db2.gz QDVBVGQAMWDECO-DOTOQJQBSA-N 2 0 351.560 3.093 20 0 FGADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)NC[C@H](c2ccc(CC)cc2)[NH+](C)C)C1 ZINC000246170291 497646424 /nfs/dbraw/zinc/64/64/24/497646424.db2.gz LFTWXNQNACBLTM-PZJWPPBQSA-N 2 0 374.573 3.225 20 0 FGADRP CCC[NH+]1CCC(N(C)C(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000194425400 497663024 /nfs/dbraw/zinc/66/30/24/497663024.db2.gz SGQQWFWVDGBHEA-FQEVSTJZSA-N 2 0 372.557 3.024 20 0 FGADRP C[C@H]([NH2+]Cc1cccc(C(=O)N(C)C)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272586053 497670545 /nfs/dbraw/zinc/67/05/45/497670545.db2.gz WSBJXCRWSOTLPH-AVRDEDQJSA-N 2 0 365.521 3.389 20 0 FGADRP CC1CC[NH+](Cc2cccc(CNC(=O)C3CC[NH+](C4CC4)CC3)c2)CC1 ZINC000194520118 497693235 /nfs/dbraw/zinc/69/32/35/497693235.db2.gz OYNGNHXJVNUYTD-UHFFFAOYSA-N 2 0 369.553 3.409 20 0 FGADRP CC[C@H](C)[N@H+](C)CCNC(=O)N1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000246342964 497702796 /nfs/dbraw/zinc/70/27/96/497702796.db2.gz JDZSQBOWEJILFI-OTWHNJEPSA-N 2 0 352.567 3.013 20 0 FGADRP C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000246347873 497703917 /nfs/dbraw/zinc/70/39/17/497703917.db2.gz OWKCAFFNQPLXPC-WIYYLYMNSA-N 2 0 372.557 3.154 20 0 FGADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N(C)[C@@H]2CC[NH+](CC)C[C@H]2C)C1 ZINC000246416146 497727534 /nfs/dbraw/zinc/72/75/34/497727534.db2.gz LJGIYJYEDGEKTM-GUDVDZBRSA-N 2 0 366.594 3.259 20 0 FGADRP C[NH+](C)CCOc1ccc(NC(=O)C2CC[NH+](C3CC3)CC2)cc1Cl ZINC000194657257 497732038 /nfs/dbraw/zinc/73/20/38/497732038.db2.gz FRAPSZKJPQGFNZ-UHFFFAOYSA-N 2 0 365.905 3.093 20 0 FGADRP C[C@@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)c1csc(Cl)c1 ZINC000191180830 497735472 /nfs/dbraw/zinc/73/54/72/497735472.db2.gz PJXFUIHEGYUAHC-CYBMUJFWSA-N 2 0 350.919 3.399 20 0 FGADRP C[C@H](c1ccc(F)cc1)N(C)C(=O)CN1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246448019 497737729 /nfs/dbraw/zinc/73/77/29/497737729.db2.gz DSJZQAPRPDCIRM-MMOPVJDHSA-N 2 0 373.516 3.294 20 0 FGADRP C[C@H](C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)[C@H]([NH3+])c1ccccc1 ZINC000263262463 497744229 /nfs/dbraw/zinc/74/42/29/497744229.db2.gz MVHPSMMACCUKDU-ZWOKBUDYSA-N 2 0 371.550 3.412 20 0 FGADRP COc1ccccc1[C@H](C)NC(=O)[C@H](C)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000194736080 497753496 /nfs/dbraw/zinc/75/34/96/497753496.db2.gz MUALVSQKLLAFPU-ROUUACIJSA-N 2 0 373.541 3.069 20 0 FGADRP COc1cc(Cl)c(C)cc1NC(=O)CN(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000246511027 497758671 /nfs/dbraw/zinc/75/86/71/497758671.db2.gz BJALMBKTPUCZQF-UONOGXRCSA-N 2 0 353.894 3.010 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H]2C[C@@H](C)[NH+](Cc3ccccc3)C2)[C@H](C)C1 ZINC000246564040 497775708 /nfs/dbraw/zinc/77/57/08/497775708.db2.gz YCVQAFIPGHDENG-UKAVVXHISA-N 2 0 372.557 3.021 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H]2C[C@H](C)[NH+](Cc3ccccc3)C2)[C@@H](C)C1 ZINC000246564029 497775852 /nfs/dbraw/zinc/77/58/52/497775852.db2.gz YCVQAFIPGHDENG-MMKMLUHNSA-N 2 0 372.557 3.021 20 0 FGADRP CC[N@@H+]1CC[C@H]([NH2+]CCCc2cc3c(cc(OC)cc3OC)[nH]2)[C@@H](C)C1 ZINC000246842186 497815554 /nfs/dbraw/zinc/81/55/54/497815554.db2.gz BRMFYPAEARAAQQ-KXBFYZLASA-N 2 0 359.514 3.438 20 0 FGADRP C[C@H](NC(=O)[C@H](C)N(C)C[C@H]1CCC[N@H+](C)C1)c1ccc(Cl)cc1 ZINC000246867127 497817526 /nfs/dbraw/zinc/81/75/26/497817526.db2.gz KWYANZUMSFDNCL-JYJNAYRXSA-N 2 0 351.922 3.179 20 0 FGADRP C[NH+](C)CCCOc1cnccc1CNCc1cnc2ccc(Cl)cn12 ZINC000288609949 497845315 /nfs/dbraw/zinc/84/53/15/497845315.db2.gz QMLZZTNNJUQJIO-UHFFFAOYSA-N 2 0 373.888 3.003 20 0 FGADRP CC[C@@H](NC(=O)N(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1)c1ccc(C)cc1 ZINC000364279993 497877249 /nfs/dbraw/zinc/87/72/49/497877249.db2.gz GVNZFLMTTHUNRF-NHCUHLMSSA-N 2 0 372.557 3.256 20 0 FGADRP Cc1noc(C2CCC([NH2+]CCc3ccc(OCC[NH+](C)C)cc3)CC2)n1 ZINC000292319842 497968811 /nfs/dbraw/zinc/96/88/11/497968811.db2.gz WPAJMJBTLLODSL-UHFFFAOYSA-N 2 0 372.513 3.177 20 0 FGADRP C[C@@H]1C[NH+](CCCCNC(=O)CC[C@@H]([NH3+])CC2CCCCC2)C[C@@H](C)O1 ZINC000575319209 505960345 /nfs/dbraw/zinc/96/03/45/505960345.db2.gz MAXGZFSQNAWQEM-QWFCFKBJSA-N 2 0 367.578 3.070 20 0 FGADRP CC(C)(C)c1ccc(OC[C@H](O)C[NH2+]CC2CC[NH+](C3CC3)CC2)cc1 ZINC000569596170 505972956 /nfs/dbraw/zinc/97/29/56/505972956.db2.gz YDNFWKCFKMUMOC-HXUWFJFHSA-N 2 0 360.542 3.188 20 0 FGADRP C[C@@H](C(=O)N1CCSc2ccccc21)N1CCC[C@@H](c2ncc[nH]2)C1 ZINC000330254357 498081263 /nfs/dbraw/zinc/08/12/63/498081263.db2.gz JLELJJGVHPYDIP-LSDHHAIUSA-N 2 0 356.495 3.117 20 0 FGADRP C[C@@H](O)c1ncc(C[NH2+]CC2CC[NH+](Cc3cccs3)CC2)s1 ZINC000289289087 498092575 /nfs/dbraw/zinc/09/25/75/498092575.db2.gz PLKWWOBOKAZTCL-CYBMUJFWSA-N 2 0 351.541 3.260 20 0 FGADRP CC[NH+]1CCN(Cc2ccccc2C[NH2+][C@@H](C)c2cc(C)ccn2)CC1 ZINC000285532749 498118191 /nfs/dbraw/zinc/11/81/91/498118191.db2.gz FNWLWZFXRMDOPT-IBGZPJMESA-N 2 0 352.526 3.378 20 0 FGADRP CC1CC[NH+](Cc2cccc(CNC(=O)NC[C@]3(C)CCC[NH2+]C3)c2)CC1 ZINC000581418774 505984523 /nfs/dbraw/zinc/98/45/23/505984523.db2.gz XGKZANRCIMPCCL-JOCHJYFZSA-N 2 0 372.557 3.107 20 0 FGADRP Cc1ncc2c(n1)CC[C@H]([NH2+][C@H](C)[C@@H]1CC[N@H+](Cc3ccccc3)C1)C2 ZINC000364780763 498138874 /nfs/dbraw/zinc/13/88/74/498138874.db2.gz WSVGVPKFRRBBHL-BSIFCXSSSA-N 2 0 350.510 3.143 20 0 FGADRP Cc1ncc2c(n1)CC[C@H]([NH2+][C@@H](C)[C@H]1CC[N@H+](Cc3ccccc3)C1)C2 ZINC000364780766 498139277 /nfs/dbraw/zinc/13/92/77/498139277.db2.gz WSVGVPKFRRBBHL-LRQRDZAKSA-N 2 0 350.510 3.143 20 0 FGADRP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N[C@]2(C)CC[NH+](Cc3ccccc3)C2)C1 ZINC000578633189 505985223 /nfs/dbraw/zinc/98/52/23/505985223.db2.gz GBYQOEROLRMUSX-RBBKRZOGSA-N 2 0 372.557 3.071 20 0 FGADRP Cc1ccc(C[NH+]2CC[C@H](CN(C)C(=O)C[N@H+]3[C@H](C)CC[C@@H]3C)C2)s1 ZINC000578634071 505986227 /nfs/dbraw/zinc/98/62/27/505986227.db2.gz JNBCVCFRRIDFKY-SOLBZPMBSA-N 2 0 363.571 3.210 20 0 FGADRP Cc1nn(-c2cc[nH+]cc2)cc1CNc1cc[nH+]c(C)c1Br ZINC000569661873 505986849 /nfs/dbraw/zinc/98/68/49/505986849.db2.gz GOPLEOPQWMRMPK-UHFFFAOYSA-N 2 0 358.243 3.076 20 0 FGADRP C[C@H]([NH3+])C[C@H](C)NC(=O)NCc1ccc(C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000578647713 505989657 /nfs/dbraw/zinc/98/96/57/505989657.db2.gz DLCOOACNZRNICR-BDXSIMOUSA-N 2 0 360.546 3.090 20 0 FGADRP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]C[C@H](O)COc2cc(Cl)ccc2Cl)C1 ZINC000581484135 505998737 /nfs/dbraw/zinc/99/87/37/505998737.db2.gz VFTTXXHOMKPAMC-KFWWJZLASA-N 2 0 361.313 3.196 20 0 FGADRP Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)NC[C@H](O)C[N@H+](C)C1CC1 ZINC000289659378 498235876 /nfs/dbraw/zinc/23/58/76/498235876.db2.gz XVDPXGSNHGBMNL-PXAZEXFGSA-N 2 0 363.502 3.363 20 0 FGADRP C[C@@H](C(=O)Nc1ccccc1OC(F)F)N1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000293056418 498251469 /nfs/dbraw/zinc/25/14/69/498251469.db2.gz UIUZBNLWZGLJJL-LIRRHRJNSA-N 2 0 367.440 3.033 20 0 FGADRP c1cn2c(n1)[C@@H](C[NH2+][C@H]1CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]31)CCC2 ZINC000360642859 498292572 /nfs/dbraw/zinc/29/25/72/498292572.db2.gz RDEKHFLLLKBTHE-ANULTFPQSA-N 2 0 350.510 3.261 20 0 FGADRP COc1ccc(Br)cc1C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000578749220 506011890 /nfs/dbraw/zinc/01/18/90/506011890.db2.gz WNMMOWLLYRLOJJ-CQSZACIVSA-N 2 0 353.304 3.279 20 0 FGADRP C[N@@H+]1C[C@@H]2C[NH+](Cc3ccc(-n4cncn4)cc3)C[C@H]2[C@@H]1c1ccccc1 ZINC000360790455 498309003 /nfs/dbraw/zinc/30/90/03/498309003.db2.gz GZVORPGPMSSBFW-FCEUIQTBSA-N 2 0 359.477 3.002 20 0 FGADRP CC[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccc(C(=O)OC)cc1 ZINC000293248435 498321190 /nfs/dbraw/zinc/32/11/90/498321190.db2.gz BLIHVSUSWYHTDJ-OXJNMPFZSA-N 2 0 360.498 3.015 20 0 FGADRP c1ccc(C[N@H+]2CC[C@H](N3CC[NH+](CCCC4CCOCC4)CC3)C2)cc1 ZINC000286200890 498322284 /nfs/dbraw/zinc/32/22/84/498322284.db2.gz XYFASAARHMUKSC-QHCPKHFHSA-N 2 0 371.569 3.085 20 0 FGADRP Cc1nccn1CCCCNC(=O)N(C)[C@@H](c1ncc[nH]1)c1ccccc1 ZINC000297195048 498352811 /nfs/dbraw/zinc/35/28/11/498352811.db2.gz KLTLHBBAKPGUGE-GOSISDBHSA-N 2 0 366.469 3.126 20 0 FGADRP CC[NH+](CC)Cc1cccc(C[NH2+]C2CCC(CS(C)(=O)=O)CC2)c1 ZINC000293568544 498414686 /nfs/dbraw/zinc/41/46/86/498414686.db2.gz DIMZGGSEUBRHAG-UHFFFAOYSA-N 2 0 366.571 3.221 20 0 FGADRP c1coc(-c2nnc(CN3CCC[C@@H](c4ncc5n4CCCC5)C3)o2)c1 ZINC000282195712 498418122 /nfs/dbraw/zinc/41/81/22/498418122.db2.gz WVARMYQDJDIGHV-CQSZACIVSA-N 2 0 353.426 3.242 20 0 FGADRP CC(C)[N@H+](C)Cc1ccccc1C[NH2+]C1CCC(CS(C)(=O)=O)CC1 ZINC000293651468 498442590 /nfs/dbraw/zinc/44/25/90/498442590.db2.gz IPHHJWHUHHTEAL-UHFFFAOYSA-N 2 0 366.571 3.220 20 0 FGADRP COc1ccc2c(c1F)CC[C@H]2[NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000290192137 498458944 /nfs/dbraw/zinc/45/89/44/498458944.db2.gz FZKXOLVUANPPJE-YLJYHZDGSA-N 2 0 370.468 3.178 20 0 FGADRP C[C@@H]([NH2+]Cc1ccncc1OCCC[NH+](C)C)c1ccc2c(c1)COC2 ZINC000290207459 498465348 /nfs/dbraw/zinc/46/53/48/498465348.db2.gz HBSRUIJRDYVQLE-MRXNPFEDSA-N 2 0 355.482 3.293 20 0 FGADRP COc1ccc2c(c1F)CC[C@@H]2[NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000290319511 498507686 /nfs/dbraw/zinc/50/76/86/498507686.db2.gz OEGRYGCXZONRGT-GBESFXJTSA-N 2 0 362.489 3.179 20 0 FGADRP CCC[N@H+](C)[C@H](CNC(=O)N[C@@H](C)C[C@@H](C)[NH3+])c1ccc(Cl)cc1 ZINC000578888232 506045574 /nfs/dbraw/zinc/04/55/74/506045574.db2.gz XEYDOLLIFXYKBV-JKIFEVAISA-N 2 0 354.926 3.148 20 0 FGADRP C[NH+](C)CCCOc1cnccc1C[NH2+][C@H]1CCCNc2ccccc21 ZINC000290338903 498514772 /nfs/dbraw/zinc/51/47/72/498514772.db2.gz PIFKLNPFAKYEPH-FQEVSTJZSA-N 2 0 354.498 3.449 20 0 FGADRP C[C@@H](NC(=O)C[NH+]1CCC2(C[C@@H]2C[N@H+](C)C2CC2)CC1)c1cccs1 ZINC000362616877 498524448 /nfs/dbraw/zinc/52/44/48/498524448.db2.gz NONHRSZOJHKXAS-HZPDHXFCSA-N 2 0 361.555 3.122 20 0 FGADRP CCOc1cc2c(cc1NC1CCN(c3cc[nH+]cc3)CC1)OCCO2 ZINC000297691140 498537005 /nfs/dbraw/zinc/53/70/05/498537005.db2.gz PUTKMCITPLMONE-UHFFFAOYSA-N 2 0 355.438 3.332 20 0 FGADRP C[NH+](C)CCCOc1cnccc1C[NH2+][C@H]1Cc2[nH]c3ccccc3c2C1 ZINC000575993922 506051499 /nfs/dbraw/zinc/05/14/99/506051499.db2.gz SFNYLRXAIRXTFE-QGZVFWFLSA-N 2 0 364.493 3.150 20 0 FGADRP CCCn1c(C[NH+]2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)nc2ccccc21 ZINC000569941944 506053457 /nfs/dbraw/zinc/05/34/57/506053457.db2.gz IALWZOPOMPHRCN-FXAWDEMLSA-N 2 0 356.514 3.165 20 0 FGADRP CN(C)c1ncc(C[N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)cn1 ZINC000294090127 498585157 /nfs/dbraw/zinc/58/51/57/498585157.db2.gz ZOTOMEPGNJHGSG-UHFFFAOYSA-N 2 0 365.525 3.031 20 0 FGADRP CC1CCC([NH+]2CCC(NC(=O)N(C)[C@H]3CC[N@H+](C)[C@@H](C)C3)CC2)CC1 ZINC000365709728 498608484 /nfs/dbraw/zinc/60/84/84/498608484.db2.gz FLLRHUXDRSZUIK-RZMNMVRNSA-N 2 0 364.578 3.154 20 0 FGADRP C[C@@H]1CCC[C@@](CNC(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)([NH+](C)C)C1 ZINC000303027045 498642231 /nfs/dbraw/zinc/64/22/31/498642231.db2.gz SMBDCPJETQYRGQ-SVFBPWRDSA-N 2 0 366.594 3.451 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cc2c(cc(C)cc2C)[nH]1 ZINC000303127992 498649541 /nfs/dbraw/zinc/64/95/41/498649541.db2.gz OPFBZTYZEFLLIO-SFHVURJKSA-N 2 0 370.541 3.273 20 0 FGADRP C[C@H](CNC(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1)[NH+](C)Cc1ccccc1 ZINC000303461429 498676528 /nfs/dbraw/zinc/67/65/28/498676528.db2.gz LPGZXOCCBITRLX-RTBURBONSA-N 2 0 374.573 3.317 20 0 FGADRP C[C@@H](CNC(=O)NCC(C)(C)[N@@H+]1CCC[C@H](C)C1)[NH+](C)Cc1ccccc1 ZINC000303461419 498676714 /nfs/dbraw/zinc/67/67/14/498676714.db2.gz LPGZXOCCBITRLX-OALUTQOASA-N 2 0 374.573 3.317 20 0 FGADRP C[C@@H](CNC(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1)[N@H+](C)Cc1ccccc1 ZINC000303503190 498683455 /nfs/dbraw/zinc/68/34/55/498683455.db2.gz VJTWWJKDKCWUQV-AQNXPRMDSA-N 2 0 374.573 3.174 20 0 FGADRP CCc1ccc([C@@H](CNC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)[NH+](C)C)cc1 ZINC000287237548 498683808 /nfs/dbraw/zinc/68/38/08/498683808.db2.gz SOULZBSCPYFFGN-JGUMPVPUSA-N 2 0 372.557 3.118 20 0 FGADRP C[C@@H](CNC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1)[N@H+](C)Cc1ccccc1 ZINC000303517342 498685552 /nfs/dbraw/zinc/68/55/52/498685552.db2.gz YHEKQZDLFMMVSL-PZJWPPBQSA-N 2 0 372.557 3.167 20 0 FGADRP COc1c(C)cc(C[NH2+]C[C@H]2CCCN(C)[C@@H]2c2cnn(C)c2)cc1C ZINC000363177849 498687448 /nfs/dbraw/zinc/68/74/48/498687448.db2.gz ZBDIOPILZORBNQ-QUCCMNQESA-N 2 0 356.514 3.218 20 0 FGADRP c1ccc2c(c1)CCN(CCC[NH2+]C1CCN(c3cc[nH+]cc3)CC1)C2 ZINC000298220197 498698813 /nfs/dbraw/zinc/69/88/13/498698813.db2.gz AGUFZZABMNQEKW-UHFFFAOYSA-N 2 0 350.510 3.088 20 0 FGADRP COc1ccccc1N1CC[C@H](C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000298223320 498700348 /nfs/dbraw/zinc/70/03/48/498700348.db2.gz AOVLHQMHCYDZIQ-GOSISDBHSA-N 2 0 366.509 3.175 20 0 FGADRP Cc1cc(C)c(CNC(=O)N[C@@H]2CCN(C)[C@@H]2c2ccc(F)c(F)c2)cn1 ZINC000576113132 506080727 /nfs/dbraw/zinc/08/07/27/506080727.db2.gz TXBJVEBSTPRQSI-RTBURBONSA-N 2 0 374.435 3.221 20 0 FGADRP C[NH+]1CCC(C)(C[NH2+]Cc2cccc(I)c2)CC1 ZINC000310997955 498748041 /nfs/dbraw/zinc/74/80/41/498748041.db2.gz NHGIBUOVDKVKLY-UHFFFAOYSA-N 2 0 358.267 3.113 20 0 FGADRP Cc1ccccc1[C@@H]([NH3+])C(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000294719369 498782201 /nfs/dbraw/zinc/78/22/01/498782201.db2.gz BSMLQSYSBPKALI-VQIMIIECSA-N 2 0 357.523 3.085 20 0 FGADRP CC(C)C[N@@H+]1CCCN(C(=O)C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000363402255 498801725 /nfs/dbraw/zinc/80/17/25/498801725.db2.gz HWDTZPSYMDNLCP-UHFFFAOYSA-N 2 0 357.542 3.089 20 0 FGADRP CC[NH+]1CCC(C[NH2+]C[C@H](O)COc2ccc(Cl)c(Cl)c2)CC1 ZINC000321097952 498811363 /nfs/dbraw/zinc/81/13/63/498811363.db2.gz HKWRZIALRFYVNE-AWEZNQCLSA-N 2 0 361.313 3.055 20 0 FGADRP O=C(c1ccccc1Cl)N1CCC([NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000366260547 498847162 /nfs/dbraw/zinc/84/71/62/498847162.db2.gz RXYGZOYFNZZZPH-IAGOWNOFSA-N 2 0 361.917 3.161 20 0 FGADRP CC[NH+](CC)Cc1ccc(C[NH2+]Cc2cnc(-c3cnn(C)c3)nc2)cc1 ZINC000366351058 498887703 /nfs/dbraw/zinc/88/77/03/498887703.db2.gz WVPZOQOTZAUJDO-UHFFFAOYSA-N 2 0 364.497 3.009 20 0 FGADRP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N[C@@H]1CCN(C)[C@H]1c1ccc(Cl)cc1 ZINC000579175853 506109249 /nfs/dbraw/zinc/10/92/49/506109249.db2.gz RDNRXVXFDDIIPH-OLMNPRSZSA-N 2 0 366.937 3.113 20 0 FGADRP CC[NH+]1CCC(CNC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000579186955 506113037 /nfs/dbraw/zinc/11/30/37/506113037.db2.gz SIPAETYRUJBBDL-NQIIRXRSSA-N 2 0 372.557 3.071 20 0 FGADRP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)N[C@@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC000288164808 498959004 /nfs/dbraw/zinc/95/90/04/498959004.db2.gz OUBCPAUJMVPIES-SQGPQFPESA-N 2 0 360.546 3.050 20 0 FGADRP O=C1CC[C@@H]([NH2+]Cc2ccc(-c3ccccc3)cc2)[C@H](C2CC[NH2+]CC2)N1 ZINC000582050125 506122271 /nfs/dbraw/zinc/12/22/71/506122271.db2.gz KPSKSKWYQDNKCA-GGAORHGYSA-N 2 0 363.505 3.090 20 0 FGADRP Cc1ncc(CN2CC[C@@H]([NH2+]C[C@H](O)c3ccc(F)cc3)[C@@H](C)C2)s1 ZINC000366593933 498993860 /nfs/dbraw/zinc/99/38/60/498993860.db2.gz RPZQZCAKALCJHE-BKTGTZMESA-N 2 0 363.502 3.124 20 0 FGADRP C[C@H](c1ccccc1)N1CC[C@H]([NH2+]C2CCN(CC(F)(F)F)CC2)C1 ZINC000363810689 499004643 /nfs/dbraw/zinc/00/46/43/499004643.db2.gz CRPXUUKYYGQSAO-QAPCUYQASA-N 2 0 355.448 3.438 20 0 FGADRP C[NH+]1CCC(Oc2ccc(C[NH2+]Cc3ccc(-c4cc[nH]n4)o3)cc2)CC1 ZINC000283887008 499008004 /nfs/dbraw/zinc/00/80/04/499008004.db2.gz HGSRWXGRAYVRBS-UHFFFAOYSA-N 2 0 366.465 3.433 20 0 FGADRP C[NH+](C)CCCOc1cnccc1C[NH2+]C/C=C\c1ccc(F)cc1F ZINC000576308439 506126493 /nfs/dbraw/zinc/12/64/93/506126493.db2.gz QSPJKIGJNMCMEC-HYXAFXHYSA-N 2 0 361.436 3.493 20 0 FGADRP Cc1ccc2ncc(C[NH2+]Cc3ccc(OC4CC[NH+](C)CC4)cc3)n2c1 ZINC000284013224 499030917 /nfs/dbraw/zinc/03/09/17/499030917.db2.gz NDWPTOBKVZNVRH-UHFFFAOYSA-N 2 0 364.493 3.406 20 0 FGADRP C[NH+]1CCC(Oc2ccc(C[NH2+]Cc3cccc4nccn43)cc2)CC1 ZINC000284024447 499033142 /nfs/dbraw/zinc/03/31/42/499033142.db2.gz NVHLYKRFHDEQBN-UHFFFAOYSA-N 2 0 350.466 3.097 20 0 FGADRP c1ccc(C[N@@H+]2CCCO[C@H](CN3CC[NH+](C4CCCCC4)CC3)C2)cc1 ZINC000284092157 499046799 /nfs/dbraw/zinc/04/67/99/499046799.db2.gz MARFVNBHECRQIK-HSZRJFAPSA-N 2 0 371.569 3.228 20 0 FGADRP CCOC(=O)c1oc2c(c1C)[C@@H]([NH2+]C[C@@H]1CCc3nccn3C1)CCC2 ZINC000366730493 499051390 /nfs/dbraw/zinc/05/13/90/499051390.db2.gz OXVFWDBWJPERTC-GJZGRUSLSA-N 2 0 357.454 3.191 20 0 FGADRP Cc1nccn1-c1ccc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2nccs2)cc1F ZINC000364148699 499124333 /nfs/dbraw/zinc/12/43/33/499124333.db2.gz XXJBHZDLWZNGIF-RYUDHWBXSA-N 2 0 373.457 3.454 20 0 FGADRP C[C@@H]1C[N@H+](CCSc2ccc(Cl)cc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000367029919 499136178 /nfs/dbraw/zinc/13/61/78/499136178.db2.gz OGTWCDWEFHIRTM-VQIMIIECSA-N 2 0 367.990 3.390 20 0 FGADRP C[C@H](NC(=O)NCc1ccc(C[NH+](C)C)cc1)[C@@H](c1ccccc1)[NH+](C)C ZINC000576333360 506133053 /nfs/dbraw/zinc/13/30/53/506133053.db2.gz CWVWUBUZSXIUOR-UWJYYQICSA-N 2 0 368.525 3.239 20 0 FGADRP c1ccc(C[NH+]2CCC3(CCO3)CC2)c(C[NH+]2CCC3(CCO3)CC2)c1 ZINC000367244763 499167184 /nfs/dbraw/zinc/16/71/84/499167184.db2.gz SFGFTQPIZSGZKT-UHFFFAOYSA-N 2 0 356.510 3.196 20 0 FGADRP Cc1ccc(-c2cnc(CN3CC[C@@H]([NH+]4CCN(C)CC4)[C@@H](C)C3)o2)cc1 ZINC000370149582 499188072 /nfs/dbraw/zinc/18/80/72/499188072.db2.gz PBQRYLGZKGASRA-AZUAARDMSA-N 2 0 368.525 3.108 20 0 FGADRP C[NH+]1CCC(N(Cc2ccco2)C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000370161829 499190492 /nfs/dbraw/zinc/19/04/92/499190492.db2.gz MHGXNRGRJWGNLU-GOSISDBHSA-N 2 0 373.541 3.357 20 0 FGADRP COCCOc1cccc(C[N@H+](C)C2CCN(c3ccccn3)CC2)c1 ZINC000367423826 499197446 /nfs/dbraw/zinc/19/74/46/499197446.db2.gz XHKORRUDAFWPQY-UHFFFAOYSA-N 2 0 355.482 3.208 20 0 FGADRP COc1cc(Br)ccc1C[N@@H+]1CC[C@H](c2nccn2C)C1 ZINC000367697113 499225548 /nfs/dbraw/zinc/22/55/48/499225548.db2.gz BQPBNDZNLCCRNR-ZDUSSCGKSA-N 2 0 350.260 3.181 20 0 FGADRP COc1ccc([C@H](C)[NH2+][C@H](CN2CC[NH+](C)CC2)c2ccccc2)cc1O ZINC000579295048 506138387 /nfs/dbraw/zinc/13/83/87/506138387.db2.gz IBOCDVYDIBREFD-FXAWDEMLSA-N 2 0 369.509 3.040 20 0 FGADRP CSc1nnc(CCC[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)n1CC(C)C ZINC000367751725 499230674 /nfs/dbraw/zinc/23/06/74/499230674.db2.gz GEFNXJKMGKHEHM-BBWFWOEESA-N 2 0 365.591 3.051 20 0 FGADRP CCOc1ccc(C[NH2+][C@@H]2CC[N@H+](C[C@H]3CCCO3)C[C@@H]2C)cc1F ZINC000370623618 499236886 /nfs/dbraw/zinc/23/68/86/499236886.db2.gz AGKXGUCFPVMEGX-KVSKMBFKSA-N 2 0 350.478 3.203 20 0 FGADRP COc1ccc(Cl)cc1[C@@H](C)[NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000370633977 499237755 /nfs/dbraw/zinc/23/77/55/499237755.db2.gz JNBMCSQVIBOTFM-GDBMZVCRSA-N 2 0 351.922 3.168 20 0 FGADRP C[N@H+](C[C@H](O)Cc1cccc(Cl)c1)C1CCN(c2ccccn2)CC1 ZINC000367849003 499237955 /nfs/dbraw/zinc/23/79/55/499237955.db2.gz NPTVZGPHHRIVRP-LJQANCHMSA-N 2 0 359.901 3.239 20 0 FGADRP c1c(C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)nc2ncccn12 ZINC000370650337 499240047 /nfs/dbraw/zinc/24/00/47/499240047.db2.gz LFGGTBMHPHROSV-UHFFFAOYSA-N 2 0 361.493 3.217 20 0 FGADRP C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@H]1[NH2+]CCCCOCc1ccccc1 ZINC000370660074 499240868 /nfs/dbraw/zinc/24/08/68/499240868.db2.gz JDUPXVVJKUZORE-CEMLEFRQSA-N 2 0 360.542 3.462 20 0 FGADRP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+]CCCCOCc1ccccc1 ZINC000370660073 499241006 /nfs/dbraw/zinc/24/10/06/499241006.db2.gz JDUPXVVJKUZORE-BAGYTPMASA-N 2 0 360.542 3.462 20 0 FGADRP [NH3+][C@@H]1CCC[C@@H](C(=O)N2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)C1 ZINC000370763380 499252384 /nfs/dbraw/zinc/25/23/84/499252384.db2.gz KANMKXICPVYXIT-KCZVDYSFSA-N 2 0 355.526 3.019 20 0 FGADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+][C@@H]1CC12CCN(C(=O)OC(C)(C)C)CC2 ZINC000368047327 499259137 /nfs/dbraw/zinc/25/91/37/499259137.db2.gz SWTVTOYOYKBTGY-QBPKDAKJSA-N 2 0 351.535 3.094 20 0 FGADRP CC[NH+](CC)Cc1cc([C@H](C)[NH2+][C@@H]2CCc3nc[nH]c3C2)ccc1OC ZINC000368100536 499264422 /nfs/dbraw/zinc/26/44/22/499264422.db2.gz HTOVSMOKMIGGOL-MAUKXSAKSA-N 2 0 356.514 3.468 20 0 FGADRP Cc1cc(NC(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)c(C)cn1 ZINC000368241465 499277395 /nfs/dbraw/zinc/27/73/95/499277395.db2.gz OATSNAYGRGRNCG-UXHICEINSA-N 2 0 364.493 3.106 20 0 FGADRP CC(=O)N1CC[C@H]([NH2+]C[C@@H]2CCC[N@@H+](C(C)C)C2)c2ccc(F)cc2C1 ZINC000368424831 499294758 /nfs/dbraw/zinc/29/47/58/499294758.db2.gz ALLAMIWCNAYNIV-UWJYYQICSA-N 2 0 361.505 3.329 20 0 FGADRP [NH3+]Cc1ccc(C(=O)N2CCC[C@H]2[C@H]2CCC[N@@H+]2Cc2ccccc2)cc1 ZINC000371271572 499304589 /nfs/dbraw/zinc/30/45/89/499304589.db2.gz SEWOJSJDRUXSBC-YADHBBJMSA-N 2 0 363.505 3.415 20 0 FGADRP COc1ccc(-c2nc(CN3CCO[C@@H]4C[C@H]([NH+](C)C)CC[C@@H]43)co2)cc1 ZINC000371292820 499306590 /nfs/dbraw/zinc/30/65/90/499306590.db2.gz DFUUPWPRYYDDQC-YZGWKJHDSA-N 2 0 371.481 3.034 20 0 FGADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2Cc1cc(Br)cs1 ZINC000371294826 499306666 /nfs/dbraw/zinc/30/66/66/499306666.db2.gz NGEXFBWLNBRVRA-BPLDGKMQSA-N 2 0 359.333 3.194 20 0 FGADRP Cc1cc(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)c2ccccc2n1 ZINC000371304252 499308020 /nfs/dbraw/zinc/30/80/20/499308020.db2.gz SDTMHZXYOTUJSG-VGSWGCGISA-N 2 0 352.526 3.001 20 0 FGADRP Cc1cc(N2CC[C@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)c2cc(F)ccc2[nH+]1 ZINC000371352049 499314165 /nfs/dbraw/zinc/31/41/65/499314165.db2.gz WQAPMGJXSBVTIF-YWZLYKJASA-N 2 0 356.489 3.145 20 0 FGADRP C[C@@H](NC(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1)C1=CC[N@H+](C)CC1 ZINC000371589706 499345044 /nfs/dbraw/zinc/34/50/44/499345044.db2.gz VCRXYXKOFOINAZ-QZTJIDSGSA-N 2 0 370.541 3.162 20 0 FGADRP COC1(C[C@H](C)[NH2+]CCC2CC[NH+](C3CCN(C)CC3)CC2)CCC1 ZINC000369290354 499388305 /nfs/dbraw/zinc/38/83/05/499388305.db2.gz LUGYIDQUNXWJCE-SFHVURJKSA-N 2 0 351.579 3.120 20 0 FGADRP CC(=O)c1c(C)cc(C)c(C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)c1C ZINC000369767129 499441744 /nfs/dbraw/zinc/44/17/44/499441744.db2.gz QHKHLZNXFAHYHI-PGRDOPGGSA-N 2 0 371.569 3.272 20 0 FGADRP COc1ccc2c(c1)[C@H]([NH2+]C[C@H]1CCC[C@H]1N1CCOCC1)CCS2 ZINC000373637912 499481120 /nfs/dbraw/zinc/48/11/20/499481120.db2.gz JZNQGPUTCSPIIC-ATZDWAIDSA-N 2 0 362.539 3.323 20 0 FGADRP C[C@H]1C[N@H+](CC2CCC(C(F)(F)F)CC2)CCN1C1CC[NH+](C)CC1 ZINC000375217648 499496478 /nfs/dbraw/zinc/49/64/78/499496478.db2.gz ILNIFHZJYMFFKQ-GTPINHCMSA-N 2 0 361.496 3.455 20 0 FGADRP NC(=O)C1CCC(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC000378406112 499513042 /nfs/dbraw/zinc/51/30/42/499513042.db2.gz SXTWWEOKBMKDNX-BKDYDCAMSA-N 2 0 355.526 3.063 20 0 FGADRP Cc1cn2c(n1)CC[C@H]([NH2+][C@@H]1CC3(CC[NH+](C)CC3)Oc3ccccc31)C2 ZINC000378440854 499516892 /nfs/dbraw/zinc/51/68/92/499516892.db2.gz CWGYCRREDZLTQM-PKOBYXMFSA-N 2 0 366.509 3.084 20 0 FGADRP C[NH+](C)Cc1ccccc1C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000375425891 499517665 /nfs/dbraw/zinc/51/76/65/499517665.db2.gz LLRVYUCZNXHTEJ-HXUWFJFHSA-N 2 0 365.521 3.043 20 0 FGADRP CCS(=O)(=O)CCCCC[NH2+]C[C@H]1CCC[N@H+](C)[C@@H]1c1ccccc1 ZINC000375448681 499520118 /nfs/dbraw/zinc/52/01/18/499520118.db2.gz MINWOODAZYDKKR-WOJBJXKFSA-N 2 0 366.571 3.264 20 0 FGADRP CN(C)c1ncnc(Cl)c1CNC[C@H]1CCC[N@H+](C)[C@@H]1c1ccccc1 ZINC000375450404 499520526 /nfs/dbraw/zinc/52/05/26/499520526.db2.gz YDUAKVXSAYTJAE-SJLPKXTDSA-N 2 0 373.932 3.369 20 0 FGADRP Cc1cnc([C@H]2CCCC[N@H+]2CCCN2CC[NH+](C(C)C)CC2)s1 ZINC000375595777 499536204 /nfs/dbraw/zinc/53/62/04/499536204.db2.gz GCFINSBFDGJVDQ-GOSISDBHSA-N 2 0 350.576 3.395 20 0 FGADRP CCOC1CC2(C1)CC[NH+](C/C=C/C[N@H+]1CCC3(CC(OCC)C3)C1)C2 ZINC000375738499 499550387 /nfs/dbraw/zinc/55/03/87/499550387.db2.gz OTPDASIIVJVSES-AATRIKPKSA-N 2 0 362.558 3.325 20 0 FGADRP C[C@H](NCC(=O)Nc1cccc(F)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000388839751 499551971 /nfs/dbraw/zinc/55/19/71/499551971.db2.gz XXZVYVGUMSWMGL-FUHWJXTLSA-N 2 0 355.457 3.264 20 0 FGADRP C[C@@H]([NH2+]Cc1ccc2c(c1)OCCO2)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000389105749 499552213 /nfs/dbraw/zinc/55/22/13/499552213.db2.gz PBMVOCMEGIYPLU-YLJYHZDGSA-N 2 0 352.478 3.458 20 0 FGADRP C[NH+](C)CCCC[NH2+]Cc1cc(Cl)ccc1I ZINC000390253176 499554198 /nfs/dbraw/zinc/55/41/98/499554198.db2.gz FPUBHDSDTCDCNG-UHFFFAOYSA-N 2 0 366.674 3.376 20 0 FGADRP OC1(C[NH2+][C@H]2CCc3ccccc3C2)CC[NH+](Cc2ccccc2)CC1 ZINC000397495310 499564129 /nfs/dbraw/zinc/56/41/29/499564129.db2.gz PQXBKERCVOIRPZ-QFIPXVFZSA-N 2 0 350.506 3.161 20 0 FGADRP C[C@@H]1C[N@@H+](Cc2ccccc2C[NH2+][C@@H]2CCCc3n[nH]cc32)C[C@H](C)O1 ZINC000375890679 499565323 /nfs/dbraw/zinc/56/53/23/499565323.db2.gz SZLOHFBOTQMCSE-GQIGUUNPSA-N 2 0 354.498 3.186 20 0 FGADRP C[C@@H]1C[NH+](Cc2ccccc2C[NH2+][C@@H]2CCCc3n[nH]cc32)C[C@@H](C)O1 ZINC000375890680 499565334 /nfs/dbraw/zinc/56/53/34/499565334.db2.gz SZLOHFBOTQMCSE-JXXFODFXSA-N 2 0 354.498 3.186 20 0 FGADRP C[N@@H+](Cc1nccn1CC(F)(F)F)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000376178676 499589264 /nfs/dbraw/zinc/58/92/64/499589264.db2.gz SUDZCTWKCITIIF-UHFFFAOYSA-N 2 0 367.419 3.189 20 0 FGADRP Cc1nccn1CCCC[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000409446118 499596455 /nfs/dbraw/zinc/59/64/55/499596455.db2.gz DCHPIHQZOAFLEW-FCHUYYIVSA-N 2 0 352.526 3.426 20 0 FGADRP C[C@@H](NC1CC[NH+](CCc2ccccc2)CC1)c1nnc2n1CCCCC2 ZINC000376522151 499615105 /nfs/dbraw/zinc/61/51/05/499615105.db2.gz TYIYHENJWHBUSO-GOSISDBHSA-N 2 0 367.541 3.362 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C)CC(C)C ZINC000376572980 499619774 /nfs/dbraw/zinc/61/97/74/499619774.db2.gz IMIZHMPYMVIVNL-ZZJWQFMZSA-N 2 0 352.567 3.010 20 0 FGADRP O=C1Nc2ccccc2C12CCC([NH2+]C1CC([NH+]3CCCCC3)C1)CC2 ZINC000376595243 499621716 /nfs/dbraw/zinc/62/17/16/499621716.db2.gz LQOWILCCYXYBJI-UHFFFAOYSA-N 2 0 353.510 3.426 20 0 FGADRP Brc1cc(C[NH2+]Cc2cnc3n2CCCC3)cc2c1OCO2 ZINC000376729817 499632649 /nfs/dbraw/zinc/63/26/49/499632649.db2.gz TXOBHQYIRZQNJP-UHFFFAOYSA-N 2 0 364.243 3.000 20 0 FGADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+]C[C@@H](CO)c2cccnc2)CC1 ZINC000376803059 499635564 /nfs/dbraw/zinc/63/55/64/499635564.db2.gz UJJYFBILCFTYJH-HWELCPFYSA-N 2 0 353.510 3.190 20 0 FGADRP CN1c2ccc(C[NH2+]C[C@@H]3CC[N@H+](C)[C@H]3c3ccccc3)cc2CCC1=O ZINC000376940844 499648129 /nfs/dbraw/zinc/64/81/29/499648129.db2.gz KTJBPQNJFVQYEZ-REWPJTCUSA-N 2 0 363.505 3.378 20 0 FGADRP C[N@H+](Cc1ccc2c(c1)C[NH2+]CC2)C1CCN(C(=O)c2ccccc2)CC1 ZINC000573257696 506155714 /nfs/dbraw/zinc/15/57/14/506155714.db2.gz KXUONNDJAGXCNO-UHFFFAOYSA-N 2 0 363.505 3.069 20 0 FGADRP C[NH+]1CCN(C[C@@H]2CCC[N@H+](CCCCCOc3ccccc3)C2)CC1 ZINC000377618986 499710899 /nfs/dbraw/zinc/71/08/99/499710899.db2.gz CQMJGXWKGUGHDQ-OAQYLSRUSA-N 2 0 359.558 3.195 20 0 FGADRP Cc1ccncc1CCC[N@@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000377688551 499720223 /nfs/dbraw/zinc/72/02/23/499720223.db2.gz CBJHTXRGGSOVKY-UHFFFAOYSA-N 2 0 372.601 3.451 20 0 FGADRP COc1ccc2c(c1)CCC[C@@H]2[N@@H+]1CCCC[C@H](N2CCN(C)CC2)C1 ZINC000377695572 499721131 /nfs/dbraw/zinc/72/11/31/499721131.db2.gz MJUHTWLJLGKPTK-UGKGYDQZSA-N 2 0 357.542 3.175 20 0 FGADRP C[C@H]1C[C@@H](C(=O)N2CCC[C@@H]2[C@H]2CCC[NH+]2Cc2ccccc2)CC[N@@H+]1C ZINC000377769731 499730996 /nfs/dbraw/zinc/73/09/96/499730996.db2.gz CKUDINDUJWMMPB-VXSCBNMQSA-N 2 0 369.553 3.372 20 0 FGADRP CC(C)[NH+]1CCC(NC(=O)C[NH2+]C2(c3ccccc3)CCCCC2)CC1 ZINC000411387051 499732744 /nfs/dbraw/zinc/73/27/44/499732744.db2.gz ISQGYOBMTRHNCR-UHFFFAOYSA-N 2 0 357.542 3.425 20 0 FGADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411399708 499734519 /nfs/dbraw/zinc/73/45/19/499734519.db2.gz LZVNZLXXDJDPCY-ZLNRFVROSA-N 3 0 371.569 3.356 20 0 FGADRP C[C@H](CC[NH+]1CC[C@@H]([C@H]2CCOC2)C1)CC[N@@H+]1CC[C@H]([C@@H]2CCOC2)C1 ZINC000411399596 499734724 /nfs/dbraw/zinc/73/47/24/499734724.db2.gz RNTWLEGCNKTJKD-QGJCJDORSA-N 2 0 364.574 3.120 20 0 FGADRP C[NH+](C)Cc1ccc(C(=O)N2C[C@@H]3C[N@H+](C)[C@@H](c4ccccc4)[C@H]3C2)cc1 ZINC000377817994 499738322 /nfs/dbraw/zinc/73/83/22/499738322.db2.gz DIBXQFLCCJGORA-FKBYEOEOSA-N 2 0 363.505 3.123 20 0 FGADRP C[C@H]1C[C@@H](C(=O)NC[C@H]2CC[NH+](C)[C@@H]2c2cccc(Cl)c2)CC[N@@H+]1C ZINC000377928304 499748676 /nfs/dbraw/zinc/74/86/76/499748676.db2.gz XKXRESZPPNNIPM-ITQYTPKQSA-N 2 0 363.933 3.179 20 0 FGADRP CC[C@H]([NH2+]CC(=O)NC1CC[NH+](C(C)C)CC1)c1ccc(Cl)s1 ZINC000411508348 499749023 /nfs/dbraw/zinc/74/90/23/499749023.db2.gz AVVRIZSDTLPCAS-AWEZNQCLSA-N 2 0 357.951 3.431 20 0 FGADRP c1cncc(COc2ccc(C[N@@H+]3CCC[C@H]([C@H]4CC[NH2+]C4)C3)cc2)c1 ZINC000570396371 506158644 /nfs/dbraw/zinc/15/86/44/506158644.db2.gz JIZWEYVYVXWCBY-SFTDATJTSA-N 2 0 351.494 3.482 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)CC2(CCOCC2)O1 ZINC000411664449 499774724 /nfs/dbraw/zinc/77/47/24/499774724.db2.gz GDSLEQRCAIQYDA-LJQANCHMSA-N 2 0 358.526 3.442 20 0 FGADRP OC[C@@H](C[NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1ccc(F)cc1 ZINC000414317535 499777030 /nfs/dbraw/zinc/77/70/30/499777030.db2.gz WGHJHGFCQDMBLF-HXUWFJFHSA-N 2 0 356.485 3.198 20 0 FGADRP C[C@@H](CCC(F)(F)F)[NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000414345425 499779731 /nfs/dbraw/zinc/77/97/31/499779731.db2.gz SVCKRAOWFBRXRD-AWEZNQCLSA-N 2 0 371.447 3.205 20 0 FGADRP CC(=O)NCC[C@@H]1CCC[N@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000411744542 499785557 /nfs/dbraw/zinc/78/55/57/499785557.db2.gz UHDJSRLISPYGNI-FQEVSTJZSA-N 2 0 357.542 3.411 20 0 FGADRP CC(CC[NH+]1CCC[C@]2(CCOC2)C1)CC[N@@H+]1CCC[C@]2(CCOC2)C1 ZINC000411804515 499792675 /nfs/dbraw/zinc/79/26/75/499792675.db2.gz RLSLMZVHIFSOIJ-VXKWHMMOSA-N 2 0 364.574 3.408 20 0 FGADRP OC1(C[NH2+]Cc2cc3c(cccc3F)[nH]2)CC[NH+](Cc2ccccc2)CC1 ZINC000414524147 499802802 /nfs/dbraw/zinc/80/28/02/499802802.db2.gz JLSZDTSRNKAEHH-UHFFFAOYSA-N 2 0 367.468 3.424 20 0 FGADRP CC[NH+]1CCN(c2ccccc2C[N@@H+]2CC3(CCOCC3)[C@@H]2C(C)C)CC1 ZINC000414544493 499805671 /nfs/dbraw/zinc/80/56/71/499805671.db2.gz VGNBTHGAUFVEKP-QFIPXVFZSA-N 2 0 371.569 3.466 20 0 FGADRP CC[NH+]1CCN(c2ccccc2C[N@@H+]2CC3(CCOCC3)[C@H]2C(C)C)CC1 ZINC000414544491 499805895 /nfs/dbraw/zinc/80/58/95/499805895.db2.gz VGNBTHGAUFVEKP-JOCHJYFZSA-N 2 0 371.569 3.466 20 0 FGADRP CCCC[N@@H+](Cc1ccccc1Cl)C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414696192 499821147 /nfs/dbraw/zinc/82/11/47/499821147.db2.gz PRXCXQFTAKBJHN-MRXNPFEDSA-N 2 0 351.922 3.139 20 0 FGADRP CC(C)c1ccc(CC2CC[NH+](C[C@H]3CCCN(C(=O)C[NH3+])C3)CC2)cc1 ZINC000414715558 499822201 /nfs/dbraw/zinc/82/22/01/499822201.db2.gz RBTKOMNQKKLHJN-OAQYLSRUSA-N 2 0 371.569 3.262 20 0 FGADRP O=C(c1cccc(C[NH+]2CCCCC2)c1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000412098734 499823563 /nfs/dbraw/zinc/82/35/63/499823563.db2.gz HEHDHCLSRYINQZ-OAQYLSRUSA-N 2 0 355.526 3.373 20 0 FGADRP C[C@@H]1C[C@@H](C[N@@H+]2CCCN(C(=O)Nc3cccc(Cl)c3)CC2)CC[NH2+]1 ZINC000414735251 499824777 /nfs/dbraw/zinc/82/47/77/499824777.db2.gz CFWSZVQTZBDMCM-CVEARBPZSA-N 2 0 364.921 3.268 20 0 FGADRP Cc1nn(-c2ccc(F)cc2F)c(C)c1C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000414762425 499827604 /nfs/dbraw/zinc/82/76/04/499827604.db2.gz AJTQKOYWAYKGJS-IYBDPMFKSA-N 2 0 360.452 3.199 20 0 FGADRP COc1ccc(Br)c(C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000414771740 499829032 /nfs/dbraw/zinc/82/90/32/499829032.db2.gz AIXFKOZWQPDDJD-KGLIPLIRSA-N 2 0 353.304 3.279 20 0 FGADRP C[C@@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)[NH+]1[C@@H](C)CC[C@@H]1C ZINC000412161052 499829120 /nfs/dbraw/zinc/82/91/20/499829120.db2.gz LBXKVFAAZMWLHP-PWIGDYEPSA-N 2 0 357.542 3.275 20 0 FGADRP Cc1nn(Cc2ccccc2)c(C)c1C[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000414787212 499831153 /nfs/dbraw/zinc/83/11/53/499831153.db2.gz VKCPAWIMLQYNNH-LEWJYISDSA-N 2 0 352.526 3.370 20 0 FGADRP CCC([NH3+])(CC)C[NH2+][C@@H](C)CC(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000414810854 499833455 /nfs/dbraw/zinc/83/34/55/499833455.db2.gz OTPSAMVZVGXNAF-LBPRGKRZSA-N 2 0 361.408 3.409 20 0 FGADRP CCCOc1c(Br)cc(CN[C@@H]2C[NH2+]CC[C@H]2C)cc1OC ZINC000414930818 499845643 /nfs/dbraw/zinc/84/56/43/499845643.db2.gz PJSMOHMVCKAFCX-IUODEOHRSA-N 2 0 371.319 3.334 20 0 FGADRP C[C@H]1C[NH2+]CC[C@H]1[NH2+]Cc1ccc(OC(F)(F)F)c(Br)c1 ZINC000414931541 499845878 /nfs/dbraw/zinc/84/58/78/499845878.db2.gz BVXFQXFVJUFAKM-JOYOIKCWSA-N 2 0 367.209 3.435 20 0 FGADRP COCC1(C[NH2+]Cc2ccc(Cl)cc2Br)CC[NH2+]CC1 ZINC000414967052 499849530 /nfs/dbraw/zinc/84/95/30/499849530.db2.gz CTUQXZJEPKOHSJ-UHFFFAOYSA-N 2 0 361.711 3.208 20 0 FGADRP C[C@H]([NH3+])C1CCN(C(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)CC1 ZINC000414973303 499850215 /nfs/dbraw/zinc/85/02/15/499850215.db2.gz ZFEDNGDKJCMELF-KRWDZBQOSA-N 2 0 358.530 3.306 20 0 FGADRP CN(C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000414977227 499850635 /nfs/dbraw/zinc/85/06/35/499850635.db2.gz PQFVOPWGEGJPJG-WCRBZPEASA-N 2 0 370.541 3.462 20 0 FGADRP C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000414980918 499851047 /nfs/dbraw/zinc/85/10/47/499851047.db2.gz XIXDZOLOIWLDDS-NVXWUHKLSA-N 2 0 351.922 3.199 20 0 FGADRP COc1cc(Br)c(C[NH2+]CCC[C@H]2CCC[NH2+]2)cc1OC ZINC000414982730 499851186 /nfs/dbraw/zinc/85/11/86/499851186.db2.gz YZZCVEWANQYTBJ-ZDUSSCGKSA-N 2 0 357.292 3.088 20 0 FGADRP COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000414981577 499851240 /nfs/dbraw/zinc/85/12/40/499851240.db2.gz YBPNERNXNNEDHE-DZGCQCFKSA-N 2 0 353.894 3.188 20 0 FGADRP CCN(C)c1ccc(C[NH2+]C[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)cn1 ZINC000414995987 499852927 /nfs/dbraw/zinc/85/29/27/499852927.db2.gz GAEYVXCAMYZSHY-AZUAARDMSA-N 2 0 356.489 3.160 20 0 FGADRP CCOC(=O)C1CCC([NH2+]C[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)CC1 ZINC000414998544 499853155 /nfs/dbraw/zinc/85/31/55/499853155.db2.gz IENUEONTLWBVBT-CAOKTKFFSA-N 2 0 362.489 3.230 20 0 FGADRP COc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000415005381 499854365 /nfs/dbraw/zinc/85/43/65/499854365.db2.gz JFVMXOUILWGOHL-UHOFOFEASA-N 2 0 365.905 3.043 20 0 FGADRP [NH3+][C@@H]1CCC[C@H](C[NH2+]Cc2cn(-c3ccc(Cl)cc3Cl)nn2)C1 ZINC000415011012 499854828 /nfs/dbraw/zinc/85/48/28/499854828.db2.gz VQJIJMYMRPAGOQ-WCQYABFASA-N 2 0 354.285 3.181 20 0 FGADRP [NH3+]C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(Br)c(Br)c2)C1 ZINC000415033143 499856406 /nfs/dbraw/zinc/85/64/06/499856406.db2.gz IPWSXKXDUJLKHF-MWLCHTKSSA-N 2 0 362.109 3.429 20 0 FGADRP Clc1cc2cccnc2c(C[NH2+]C2CCC([NH+]3CCNCC3)CC2)c1 ZINC000415056725 499859045 /nfs/dbraw/zinc/85/90/45/499859045.db2.gz QLVFRGWYPXEQFS-UHFFFAOYSA-N 2 0 358.917 3.194 20 0 FGADRP CCOc1c(Cl)cccc1C[NH+]1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000415106997 499864694 /nfs/dbraw/zinc/86/46/94/499864694.db2.gz KHAVEISKUKSBQE-PKOBYXMFSA-N 2 0 352.906 3.457 20 0 FGADRP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](Cc2ccccc2OCC(F)(F)F)CC1 ZINC000415116386 499865699 /nfs/dbraw/zinc/86/56/99/499865699.db2.gz YAKVQEAINUJMDC-AEFFLSMTSA-N 2 0 372.431 3.346 20 0 FGADRP CC(C)[C@@](C)(C[NH3+])NC(=O)Nc1cccc(CC[NH+]2CCC(C)CC2)c1 ZINC000415394374 499891148 /nfs/dbraw/zinc/89/11/48/499891148.db2.gz QGWZWJNKDQNNKY-OAQYLSRUSA-N 2 0 360.546 3.456 20 0 FGADRP Cc1cc(C)c(NC(=O)N2CC[C@H](c3ccc(F)cc3)[C@@H]([NH3+])C2)c(C)n1 ZINC000415734605 499915797 /nfs/dbraw/zinc/91/57/97/499915797.db2.gz KLOGJFRVTVGHPH-MSOLQXFVSA-N 2 0 356.445 3.495 20 0 FGADRP C[NH+](C)[C@@H]1CCc2cc(NC(=O)N(CC[NH3+])CCc3ccccc3)ccc21 ZINC000415789340 499918851 /nfs/dbraw/zinc/91/88/51/499918851.db2.gz OEWITJKLJZPRSZ-OAQYLSRUSA-N 2 0 366.509 3.271 20 0 FGADRP C[NH+](C)[C@@H]1CCc2cc(NC(=O)N3CCC([C@@H]4[NH2+]CC4(C)C)CC3)ccc21 ZINC000415796314 499919327 /nfs/dbraw/zinc/91/93/27/499919327.db2.gz XWOYOYXSBGCSED-UXHICEINSA-N 2 0 370.541 3.477 20 0 FGADRP C[NH+](C)[C@H]1CCc2cc(NC(=O)N3CCC([C@H]4[NH2+]CC4(C)C)CC3)ccc21 ZINC000415796318 499919361 /nfs/dbraw/zinc/91/93/61/499919361.db2.gz XWOYOYXSBGCSED-VQTJNVASSA-N 2 0 370.541 3.477 20 0 FGADRP CCc1ccc([C@@H](CNC(=O)Nc2ccc3c(c2)C[NH2+]CC3)[NH+](C)C)cc1 ZINC000415881984 499924047 /nfs/dbraw/zinc/92/40/47/499924047.db2.gz JSSYPEOPJOCIRY-OAQYLSRUSA-N 2 0 366.509 3.319 20 0 FGADRP C[NH2+]Cc1ccccc1NC(=O)NC[C@@H](c1ccc(C)o1)[NH+]1CCCC1 ZINC000415895506 499925338 /nfs/dbraw/zinc/92/53/38/499925338.db2.gz BFCGJWOIHWPYBP-SFHVURJKSA-N 2 0 356.470 3.266 20 0 FGADRP CC[NH2+]Cc1cccc(NC(=O)NCC2([NH+](C)C)Cc3ccccc3C2)c1 ZINC000415911342 499927228 /nfs/dbraw/zinc/92/72/28/499927228.db2.gz XWTIGEURMRTHHZ-UHFFFAOYSA-N 2 0 366.509 3.017 20 0 FGADRP C[NH2+]Cc1cccc(NC(=O)NCc2cccc(C[NH+]3CCCC3)c2)c1 ZINC000415933090 499930274 /nfs/dbraw/zinc/93/02/74/499930274.db2.gz OZRMLLLKRZXJKG-UHFFFAOYSA-N 2 0 352.482 3.324 20 0 FGADRP COc1cc2[nH+]ccc(N3C[C@H](SC)[C@@H]([NH+]4CCCC4)C3)c2cc1OC ZINC000413232289 499930440 /nfs/dbraw/zinc/93/04/40/499930440.db2.gz OHOGSDFKEBZKGO-PXNSSMCTSA-N 2 0 373.522 3.268 20 0 FGADRP Cc1ccccc1[C@@H]([C@H](C)NC(=O)Nc1ccc(OCC[NH3+])cc1)[NH+](C)C ZINC000415945231 499931752 /nfs/dbraw/zinc/93/17/52/499931752.db2.gz KPTFYLUGISJMOH-OXJNMPFZSA-N 2 0 370.497 3.145 20 0 FGADRP C[NH2+]Cc1cccc(NC(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000415945146 499931844 /nfs/dbraw/zinc/93/18/44/499931844.db2.gz QWODTLAJTOCXPX-FQEVSTJZSA-N 2 0 352.482 3.192 20 0 FGADRP CC(C)[NH+](CCCNC(=O)Nc1ccc2c(c1F)CC[NH2+]C2)C(C)C ZINC000415954141 499933079 /nfs/dbraw/zinc/93/30/79/499933079.db2.gz JTNFDPHWVONANF-UHFFFAOYSA-N 2 0 350.482 3.102 20 0 FGADRP C[NH2+]Cc1cccc(NC(=O)N(CC[NH+](C)C)Cc2cccc(OC)c2)c1 ZINC000415963761 499934443 /nfs/dbraw/zinc/93/44/43/499934443.db2.gz RTLGTJHWPZLFNY-UHFFFAOYSA-N 2 0 370.497 3.010 20 0 FGADRP [NH3+]Cc1cc(NC(=O)N2CCC[C@H]([NH+]3CCCC3)C2)cc(C(F)(F)F)c1 ZINC000415971423 499935605 /nfs/dbraw/zinc/93/56/05/499935605.db2.gz NAICWVSHRAUQBF-INIZCTEOSA-N 2 0 370.419 3.256 20 0 FGADRP C[NH+](C)[C@@H]1CCCN(C(=O)Nc2cc(C[NH3+])cc(C(F)(F)F)c2)CC1 ZINC000415973482 499935963 /nfs/dbraw/zinc/93/59/63/499935963.db2.gz QJGZUJVFVGOFFB-OAHLLOKOSA-N 2 0 358.408 3.112 20 0 FGADRP C[C@H](CNC(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1)[NH+]1CCC(C)CC1 ZINC000415978242 499936615 /nfs/dbraw/zinc/93/66/15/499936615.db2.gz XJDYAYPUZDJKHB-CYBMUJFWSA-N 2 0 372.435 3.406 20 0 FGADRP C[C@H]([NH3+])c1ccc(CNC(=O)NCCCC[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000417034563 499953294 /nfs/dbraw/zinc/95/32/94/499953294.db2.gz GAPRMTORGGUFEI-KURKYZTESA-N 2 0 360.546 3.264 20 0 FGADRP CCc1ccccc1[C@@H]([NH3+])CNC(=O)NCCCC[N@@H+]1CCCC[C@@H]1C ZINC000417042691 499956428 /nfs/dbraw/zinc/95/64/28/499956428.db2.gz LXDJICQJOKWKRG-PXNSSMCTSA-N 2 0 360.546 3.203 20 0 FGADRP C[C@@H](NC(=O)N[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1)C(C)(C)C[NH+](C)C ZINC000428957100 499968036 /nfs/dbraw/zinc/96/80/36/499968036.db2.gz ZVUZTYTZIHPETR-LMMKCTJWSA-N 2 0 360.546 3.097 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)c2cccc(C[NH+]3CCCCC3)c2)[C@@H](C)C1 ZINC000413507860 499974953 /nfs/dbraw/zinc/97/49/53/499974953.db2.gz TWDPOZCQOCBSRY-RXVVDRJESA-N 2 0 357.542 3.475 20 0 FGADRP C[C@H]1[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000576478220 506168366 /nfs/dbraw/zinc/16/83/66/506168366.db2.gz SSPHKXGNCMHZPT-PGRDOPGGSA-N 2 0 365.521 3.184 20 0 FGADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)NC2CCC(C[NH+](C)C)CC2)C1 ZINC000429079780 499999661 /nfs/dbraw/zinc/99/96/61/499999661.db2.gz BFMXWCPXZXJNTP-QUWFBVPJSA-N 2 0 372.557 3.242 20 0 FGADRP C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC000582250012 506169487 /nfs/dbraw/zinc/16/94/87/506169487.db2.gz GGHKTGSOFGABDJ-OPYAIIAOSA-N 2 0 357.542 3.268 20 0 FGADRP CCC(C)(C)[NH2+][C@H](C)C(=O)Nc1nc2c(s1)C[N@@H+](C(C)(C)C)CC2 ZINC000425033478 500000610 /nfs/dbraw/zinc/00/06/10/500000610.db2.gz DYEVDZURJZCQAA-GFCCVEGCSA-N 2 0 352.548 3.405 20 0 FGADRP C[NH+](C)CCNC(=O)c1cccc(C[NH2+]Cc2cccc(C3CC3)c2)c1 ZINC000421319815 500015970 /nfs/dbraw/zinc/01/59/70/500015970.db2.gz AZOLNBUUEMNUMG-UHFFFAOYSA-N 2 0 351.494 3.145 20 0 FGADRP C[NH+](C)C1CCC([NH2+]Cc2cn(-c3ccc(F)cc3Cl)nn2)CC1 ZINC000421376553 500032604 /nfs/dbraw/zinc/03/26/04/500032604.db2.gz RJDSOHWNCZBRMP-UHFFFAOYSA-N 2 0 351.857 3.022 20 0 FGADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1C[C@@H](C)C[C@H](C(=O)OC(C)(C)C)C1 ZINC000421383837 500033934 /nfs/dbraw/zinc/03/39/34/500033934.db2.gz LYOATLOPRDSEDE-RDJZCZTQSA-N 2 0 370.497 3.375 20 0 FGADRP CCC[C@@H]([NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1)[C@H]1CC1(C)C ZINC000417304914 500035515 /nfs/dbraw/zinc/03/55/15/500035515.db2.gz FXBNACHWEWFFIA-RTBURBONSA-N 2 0 359.562 3.183 20 0 FGADRP CC(C)(C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C1(O)CCOCC1 ZINC000417383499 500055621 /nfs/dbraw/zinc/05/56/21/500055621.db2.gz OUOOMYVOZBIWLU-MZADTFQBSA-N 2 0 372.553 3.339 20 0 FGADRP CC1CC[NH+](Cc2cccc(CNC(=O)NCCC[C@H]3CCC[NH2+]3)c2)CC1 ZINC000417466394 500082124 /nfs/dbraw/zinc/08/21/24/500082124.db2.gz KDMFKRDFZFVZKM-OAQYLSRUSA-N 2 0 372.557 3.250 20 0 FGADRP CS[C@H]1CC[C@H]1[NH2+]Cc1cc(C(F)(F)F)ccc1N1CC[NH+](C)CC1 ZINC000425360656 500084745 /nfs/dbraw/zinc/08/47/45/500084745.db2.gz SPGZUWAVPLQICD-WBVHZDCISA-N 2 0 373.488 3.441 20 0 FGADRP CC[C@@H](NC(=O)CN1CCC[C@H]([NH+](C)C)CC1)c1ccc(Cl)cc1 ZINC000429541308 500097563 /nfs/dbraw/zinc/09/75/63/500097563.db2.gz ONYSDXODTAGOLT-ZWKOTPCHSA-N 2 0 351.922 3.323 20 0 FGADRP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@@H+](C)[C@@H]3CC[C@@H](C)C3)CC2)cc1 ZINC000429564817 500104618 /nfs/dbraw/zinc/10/46/18/500104618.db2.gz GPDIOYYPMFWRSJ-TZIWHRDSSA-N 2 0 357.542 3.150 20 0 FGADRP COC(=O)[C@H](CC[NH2+][C@@H]1CCN(C)[C@H]1c1ccccc1)c1ccccc1 ZINC000425448780 500109326 /nfs/dbraw/zinc/10/93/26/500109326.db2.gz VVICHEZYIOQTGI-NJYVYQBISA-N 2 0 352.478 3.368 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)N(CC[NH3+])Cc1ccccc1)c1ccccc1 ZINC000416831310 500131986 /nfs/dbraw/zinc/13/19/86/500131986.db2.gz AVZRKDORIACFIV-NRFANRHFSA-N 2 0 368.525 3.240 20 0 FGADRP [NH3+]CCN(Cc1ccccc1)C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000416839768 500134723 /nfs/dbraw/zinc/13/47/23/500134723.db2.gz KGGVUNOUZDWLOC-GOSISDBHSA-N 2 0 372.538 3.056 20 0 FGADRP COc1ccc([C@H](C)[NH2+]CCCN2CCN(c3cc[nH+]cc3)CC2)c(C)c1 ZINC000414075681 500146471 /nfs/dbraw/zinc/14/64/71/500146471.db2.gz OCVMWTQZLZZCIG-IBGZPJMESA-N 2 0 368.525 3.262 20 0 FGADRP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H](C)c3ccc(OC)cc3C)cn2)CC1 ZINC000414076353 500146825 /nfs/dbraw/zinc/14/68/25/500146825.db2.gz PZIVYQXFMHPHBE-SFHVURJKSA-N 2 0 368.525 3.391 20 0 FGADRP [NH3+]C[C@@H](NC(=O)N1CCCC[C@H]1c1ncc[nH]1)c1ccc2ccccc2c1 ZINC000579453348 506178611 /nfs/dbraw/zinc/17/86/11/506178611.db2.gz CMDKIXUUYYEZLA-MOPGFXCFSA-N 2 0 363.465 3.500 20 0 FGADRP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N[C@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000417677520 500147124 /nfs/dbraw/zinc/14/71/24/500147124.db2.gz FVZNIKGPOAYEKY-POAQFYNOSA-N 2 0 358.530 3.029 20 0 FGADRP CC[NH+](CC)Cc1ccccc1CNC(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000416891920 500148699 /nfs/dbraw/zinc/14/86/99/500148699.db2.gz NWWIHQSBHNYQAI-TZIWHRDSSA-N 2 0 372.557 3.060 20 0 FGADRP CCC(CC)(CNC(=O)N1CC[C@H]([C@H](C)[NH3+])C1)[NH2+][C@H](C)c1ccccc1 ZINC000417697767 500151248 /nfs/dbraw/zinc/15/12/48/500151248.db2.gz FEOMAYHXWPXBGE-SCTDSRPQSA-N 2 0 360.546 3.275 20 0 FGADRP COc1ccc([C@H](C)[NH2+]Cc2ccc(C(=O)NCC[NH+](C)C)cc2)c(C)c1 ZINC000414093603 500152185 /nfs/dbraw/zinc/15/21/85/500152185.db2.gz MKWPLDIBBZTTKL-KRWDZBQOSA-N 2 0 369.509 3.146 20 0 FGADRP COc1ccc([C@@H]([NH2+]CCN2CCC([NH+](C)C)CC2)C(C)C)c(F)c1 ZINC000421829589 500161238 /nfs/dbraw/zinc/16/12/38/500161238.db2.gz IOOSGIIGTWODHM-FQEVSTJZSA-N 2 0 351.510 3.147 20 0 FGADRP CC(C)C[NH+]1CCC(NC(=O)N[C@H](C[NH3+])c2ccc3ccccc3c2)CC1 ZINC000416948107 500164375 /nfs/dbraw/zinc/16/43/75/500164375.db2.gz YTKAVKVFFQRJKU-OAQYLSRUSA-N 2 0 368.525 3.259 20 0 FGADRP C[C@@H](CCCC[NH3+])NC(=O)NCc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000416969335 500169620 /nfs/dbraw/zinc/16/96/20/500169620.db2.gz BNBGITNFXWSPIG-ZWKOTPCHSA-N 2 0 360.546 3.378 20 0 FGADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000416969467 500169910 /nfs/dbraw/zinc/16/99/10/500169910.db2.gz KMFDAHJNBLEOPG-UHFFFAOYSA-N 2 0 372.557 3.202 20 0 FGADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)NCCC[C@@H]2CCC[NH2+]2)cc1 ZINC000416981031 500173866 /nfs/dbraw/zinc/17/38/66/500173866.db2.gz UOYDHABDMWFVMY-RXVVDRJESA-N 2 0 372.557 3.392 20 0 FGADRP CC[NH2+]CC1CCN(C(=O)NCc2cccc(C[NH+](CC)CC)c2)CC1 ZINC000416979264 500173927 /nfs/dbraw/zinc/17/39/27/500173927.db2.gz HGMZXKRIXZSLIA-UHFFFAOYSA-N 2 0 360.546 3.060 20 0 FGADRP [NH3+]CCCN(Cc1ccccc1)C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000417808826 500176369 /nfs/dbraw/zinc/17/63/69/500176369.db2.gz LRGINWQJDNZFEH-UHFFFAOYSA-N 2 0 372.557 3.344 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)N(C)CC(C)(C)C[NH3+])cc2)C1 ZINC000416994186 500178835 /nfs/dbraw/zinc/17/88/35/500178835.db2.gz RHGZZNFGKATLCZ-HDICACEKSA-N 2 0 374.573 3.291 20 0 FGADRP CC[NH+]1CCN([C@H](C)C[NH2+]Cc2cc(Cl)ccc2OCC2CC2)CC1 ZINC000430017593 500181188 /nfs/dbraw/zinc/18/11/88/500181188.db2.gz AMPBHBHHDAXHFX-MRXNPFEDSA-N 2 0 365.949 3.244 20 0 FGADRP CCCN(C(=O)NC[C@H](c1ccsc1)[NH+](CC)CC)C1CC[NH2+]CC1 ZINC000417005587 500182383 /nfs/dbraw/zinc/18/23/83/500182383.db2.gz JBFXTOKRRWAXHG-GOSISDBHSA-N 2 0 366.575 3.305 20 0 FGADRP C[N@H+](CCCNC(=O)N1CCCC[C@@H]1[C@H]1CCC[NH2+]C1)C1CCCCC1 ZINC000417023734 500186436 /nfs/dbraw/zinc/18/64/36/500186436.db2.gz WJFKWHAWCANJGJ-AZUAARDMSA-N 2 0 364.578 3.205 20 0 FGADRP C[C@H]([NH3+])c1ccc(CNC(=O)N[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)cc1 ZINC000417866121 500187286 /nfs/dbraw/zinc/18/72/86/500187286.db2.gz DBTROSUEIZYLEN-FIKGOQFSSA-N 2 0 366.509 3.169 20 0 FGADRP CCCC[N@H+](CC)Cc1cccc(CNC(=O)N[C@@H]2CC[NH2+]C[C@H]2C)c1 ZINC000417874011 500188706 /nfs/dbraw/zinc/18/87/06/500188706.db2.gz JYGCDBDQYTYWTF-YLJYHZDGSA-N 2 0 360.546 3.106 20 0 FGADRP CCCC[N@H+](CC)Cc1cccc(CNC(=O)N[C@H]2CC[NH2+][C@@H](C)C2)c1 ZINC000417887191 500192463 /nfs/dbraw/zinc/19/24/63/500192463.db2.gz WWNWTAHIBZFBBF-PXNSSMCTSA-N 2 0 360.546 3.248 20 0 FGADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)NCC[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000417919345 500198432 /nfs/dbraw/zinc/19/84/32/500198432.db2.gz FSSAAMLZUKTVGS-SESVDKBCSA-N 2 0 374.573 3.302 20 0 FGADRP CCC1(CNC(=O)N[C@@H](C)CCC[NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000417933957 500200514 /nfs/dbraw/zinc/20/05/14/500200514.db2.gz YEQGWTIECVLQLC-SFHVURJKSA-N 2 0 360.546 3.105 20 0 FGADRP C[N@@H+]1CC[C@H](NC(=O)N[C@H](CCC[NH3+])c2ccccc2)[C@@H]1c1ccccc1 ZINC000417950164 500202563 /nfs/dbraw/zinc/20/25/63/500202563.db2.gz VVXYHDUDNBCINY-HKBOAZHASA-N 2 0 366.509 3.211 20 0 FGADRP CC(C)(CNC(=O)N[C@H](C[NH3+])c1ccc2ccccc2c1)C[NH+]1CCCC1 ZINC000418060350 500223801 /nfs/dbraw/zinc/22/38/01/500223801.db2.gz CGRGDQNYSWLOQV-HXUWFJFHSA-N 2 0 368.525 3.261 20 0 FGADRP CCOCCOc1ccc(Br)cc1C[NH2+][C@H](C)C[C@H](C)[NH3+] ZINC000579473940 506183378 /nfs/dbraw/zinc/18/33/78/506183378.db2.gz UESWVXJGBATPGP-QWHCGFSZSA-N 2 0 359.308 3.080 20 0 FGADRP CN(C(=O)NC1CCC([NH+](C)C)CC1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000422244083 500240321 /nfs/dbraw/zinc/24/03/21/500240321.db2.gz JLWXSKWVHLXOHN-CBNMVNINSA-N 2 0 372.557 3.165 20 0 FGADRP CCCN(C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)[C@H]1CC[NH2+]C1 ZINC000418166628 500240955 /nfs/dbraw/zinc/24/09/55/500240955.db2.gz ZOAYIYZIGQDAAG-VQTJNVASSA-N 2 0 372.557 3.071 20 0 FGADRP CC[NH2+]CC1CC[NH+](CC(=O)N[C@H](C)c2ccc3ccccc3c2)CC1 ZINC000430586083 500258667 /nfs/dbraw/zinc/25/86/67/500258667.db2.gz XXVGWYOORZJJME-QGZVFWFLSA-N 2 0 353.510 3.339 20 0 FGADRP CN(C(=O)C[NH+]1CCC(C[NH3+])CC1)[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000430608563 500261598 /nfs/dbraw/zinc/26/15/98/500261598.db2.gz DOTOIYURNLWNGQ-QFIPXVFZSA-N 2 0 369.484 3.044 20 0 FGADRP C[C@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)[NH+]1CCC(C[NH3+])CC1 ZINC000430663516 500267289 /nfs/dbraw/zinc/26/72/89/500267289.db2.gz KBCMXSOGVWNVKB-SNVBAGLBSA-N 2 0 363.811 3.357 20 0 FGADRP CCN(C(=O)NC1CCC([NH3+])CC1)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000418377338 500270111 /nfs/dbraw/zinc/27/01/11/500270111.db2.gz BGWCNPDOYVPSCI-CMTQZCSUSA-N 2 0 358.530 3.123 20 0 FGADRP CC(C)[C@H](CNC(=O)C[C@@H](C)[C@H]1CCC[NH2+]C1)[N@@H+]1CCc2ccccc2C1 ZINC000430707558 500273113 /nfs/dbraw/zinc/27/31/13/500273113.db2.gz XVIZDCKCHBBOCX-CBQOVEMMSA-N 2 0 371.569 3.211 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)c2ccc3c(ccn3CCC[NH3+])c2)C1 ZINC000430755884 500280530 /nfs/dbraw/zinc/28/05/30/500280530.db2.gz QIGXSGOXPOOKGH-HDICACEKSA-N 2 0 370.541 3.088 20 0 FGADRP C[N@@H+]1CCC[C@@H](CNC(=O)C(C)(C)C[NH3+])[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000430763895 500281663 /nfs/dbraw/zinc/28/16/63/500281663.db2.gz BPZGWIWCZUQAHB-GOEBONIOSA-N 2 0 371.447 3.189 20 0 FGADRP [NH3+]C[C@@H](NC(=O)NC[C@H]1[NH2+]CCc2ccccc21)c1ccc2ccccc2c1 ZINC000418497880 500284510 /nfs/dbraw/zinc/28/45/10/500284510.db2.gz IUORSRQUTJDLML-FGZHOGPDSA-N 2 0 374.488 3.026 20 0 FGADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]C1CCN(Cc2cccc(C(F)(F)F)c2)CC1 ZINC000422705925 500287653 /nfs/dbraw/zinc/28/76/53/500287653.db2.gz DBMZBCOEHMSXGU-MAUKXSAKSA-N 2 0 355.448 3.387 20 0 FGADRP CCOC(=O)C1([C@@H](C)[NH2+]CC2(c3ccc(Cl)cc3)CC2)CC[NH2+]CC1 ZINC000422708506 500287999 /nfs/dbraw/zinc/28/79/99/500287999.db2.gz XXRIRDXNXWQKED-OAHLLOKOSA-N 2 0 364.917 3.283 20 0 FGADRP COC[C@H](CCC[NH3+])[NH2+]C1CCN(Cc2cccc(C(F)(F)F)c2)CC1 ZINC000422715193 500288588 /nfs/dbraw/zinc/28/85/88/500288588.db2.gz RXVAYZHQIXSLLG-SFHVURJKSA-N 2 0 373.463 3.013 20 0 FGADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000422719438 500289117 /nfs/dbraw/zinc/28/91/17/500289117.db2.gz REIXVWBOQQNNIQ-AJSBUHFISA-N 2 0 351.538 3.099 20 0 FGADRP CC[C@H]([NH2+]C1CCC(C[NH3+])CC1)c1ccccc1OCC(=O)N1CCCC1 ZINC000422726295 500290761 /nfs/dbraw/zinc/29/07/61/500290761.db2.gz ZSIPGWDMBTWICO-QLOJAFMTSA-N 2 0 373.541 3.246 20 0 FGADRP CC1CC[NH+]([C@H](CN[C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)c2ccccc2)CC1 ZINC000422744820 500292987 /nfs/dbraw/zinc/29/29/87/500292987.db2.gz WROYDLMYEXGDBF-KAOXLYBCSA-N 2 0 371.569 3.206 20 0 FGADRP COCCOc1ccccc1C[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422743234 500293400 /nfs/dbraw/zinc/29/34/00/500293400.db2.gz SXKQHAUPWYQTSS-UGKGYDQZSA-N 2 0 368.477 3.057 20 0 FGADRP COc1cccc(N2CCC[C@H]([NH2+][C@H](Cc3ccccc3)[C@@H](C)[NH3+])C2)c1 ZINC000422759311 500294642 /nfs/dbraw/zinc/29/46/42/500294642.db2.gz KRUFVTTZXRBZBA-ZWCUEREDSA-N 2 0 353.510 3.212 20 0 FGADRP CCOC(=O)C1([C@H](C)[NH2+]Cc2cccc(C(F)(F)F)c2)CC[NH2+]CC1 ZINC000422764007 500295239 /nfs/dbraw/zinc/29/52/39/500295239.db2.gz PGEQEGPFUUULJL-ZDUSSCGKSA-N 2 0 358.404 3.116 20 0 FGADRP C[C@H]([NH2+]C1(CN[C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)CCCC1)c1ccccc1 ZINC000422771538 500295771 /nfs/dbraw/zinc/29/57/71/500295771.db2.gz VWDBHUIARCOUHG-WSWWRLHASA-N 2 0 371.569 3.397 20 0 FGADRP COc1ccc([C@H](N[C@H]2CC[N@H+](Cc3ccccc3)C2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422768526 500296086 /nfs/dbraw/zinc/29/60/86/500296086.db2.gz TXEGWROBHRZMMK-PMVMPFDFSA-N 2 0 365.521 3.352 20 0 FGADRP COCc1cc(C[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)ccc1F ZINC000422771118 500296183 /nfs/dbraw/zinc/29/61/83/500296183.db2.gz VKHFXCVQVGLPGR-PZJWPPBQSA-N 2 0 356.441 3.318 20 0 FGADRP Cc1ccc([C@@H]([NH2+][C@@H](C)CCC[NH3+])c2cccc(S(C)(=O)=O)c2)cc1 ZINC000422797972 500298880 /nfs/dbraw/zinc/29/88/80/500298880.db2.gz PGQKTYCZTCCCSD-OXJNMPFZSA-N 2 0 360.523 3.205 20 0 FGADRP CCOC(=O)C1([C@@H](C)[NH2+]C[C@H](C)Sc2ccccc2)CC[NH2+]CC1 ZINC000422795695 500299097 /nfs/dbraw/zinc/29/90/97/500299097.db2.gz WEQVFASWRWUNBQ-JKSUJKDBSA-N 2 0 350.528 3.078 20 0 FGADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]Cc1ccc(OCc2cccc(F)c2)cc1 ZINC000422801122 500299947 /nfs/dbraw/zinc/29/99/47/500299947.db2.gz DQRYWANNBFRTQS-RVHYNSKXSA-N 2 0 358.457 3.247 20 0 FGADRP CCOC(=O)C1([C@@H](C)[NH2+]CCOc2ccc3ccccc3c2)CC[NH2+]CC1 ZINC000422806593 500300291 /nfs/dbraw/zinc/30/02/91/500300291.db2.gz IJJGSTFPVGDCAA-QGZVFWFLSA-N 2 0 370.493 3.130 20 0 FGADRP CCCN(CC[NH+]1CCCCC1)C(=O)N[C@H](CCC[NH3+])c1ccccc1 ZINC000418653456 500301417 /nfs/dbraw/zinc/30/14/17/500301417.db2.gz AOVYQYALKVHBNK-HXUWFJFHSA-N 2 0 360.546 3.374 20 0 FGADRP COC[C@H](Cc1ccccc1)[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422819686 500302041 /nfs/dbraw/zinc/30/20/41/500302041.db2.gz IUKADVDACLUIGH-DWLFOUALSA-N 2 0 352.478 3.090 20 0 FGADRP CCc1ccccc1[C@H]([NH3+])CNC(=O)N[C@H](CCC[NH3+])c1ccccc1 ZINC000418656972 500302448 /nfs/dbraw/zinc/30/24/48/500302448.db2.gz TVWLVIYMHFHUFO-WOJBJXKFSA-N 2 0 354.498 3.028 20 0 FGADRP C[C@H](CCCC[NH3+])NC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000418675902 500306011 /nfs/dbraw/zinc/30/60/11/500306011.db2.gz ROFZKRSLZASBEJ-HLAWJBBLSA-N 2 0 372.557 3.200 20 0 FGADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]Cc1ccccc1COCc1ccccc1 ZINC000422858798 500306651 /nfs/dbraw/zinc/30/66/51/500306651.db2.gz JHWBVFZYIHWJJE-BULFRSBZSA-N 2 0 354.494 3.245 20 0 FGADRP CCCCOc1ccc(C[NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)cc1OC ZINC000422868617 500307266 /nfs/dbraw/zinc/30/72/66/500307266.db2.gz VRWQGCWWHXVURK-IPMKNSEASA-N 2 0 362.514 3.121 20 0 FGADRP C[C@H](CCCC[NH3+])[NH2+][C@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000422880303 500309742 /nfs/dbraw/zinc/30/97/42/500309742.db2.gz WRVIYXAJVJVPFN-YPMHNXCESA-N 2 0 364.843 3.440 20 0 FGADRP C[C@H]([NH3+])C1CC[NH+](CC(=O)N[C@@H](c2ccc(F)cc2)C2CCCC2)CC1 ZINC000430945908 500311651 /nfs/dbraw/zinc/31/16/51/500311651.db2.gz YNWYHYNEWYZESG-YCRPNKLZSA-N 2 0 361.505 3.232 20 0 FGADRP C[C@@H]([NH2+]C1CCN(Cc2ccc(Br)cc2)CC1)[C@H]1CCC[NH2+]1 ZINC000422895684 500312058 /nfs/dbraw/zinc/31/20/58/500312058.db2.gz WQCNERGSVPMASU-RDTXWAMCSA-N 2 0 366.347 3.144 20 0 FGADRP C[C@H](CCCC[NH3+])[NH2+]C[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000422893675 500312161 /nfs/dbraw/zinc/31/21/61/500312161.db2.gz ANOIDGALONDFRP-CABCVRRESA-N 2 0 354.336 3.383 20 0 FGADRP C[NH2+]CC1CC[NH+](CC(=O)N[C@@H](C)c2ccc(Cl)c(Cl)c2)CC1 ZINC000430951951 500312398 /nfs/dbraw/zinc/31/23/98/500312398.db2.gz NYAPEYANPUDJPT-LBPRGKRZSA-N 2 0 358.313 3.102 20 0 FGADRP Cc1cc(Cl)ccc1OCCC[NH2+][C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC000422897119 500312878 /nfs/dbraw/zinc/31/28/78/500312878.db2.gz JAIFLMMYAHNRAO-RCCFBDPRSA-N 2 0 352.906 3.164 20 0 FGADRP c1cc(OCC[NH+]2CCCC2)ccc1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000422907657 500314560 /nfs/dbraw/zinc/31/45/60/500314560.db2.gz BWRHTOUQACFDGY-FDFHNCONSA-N 3 0 357.542 3.172 20 0 FGADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000422913386 500315345 /nfs/dbraw/zinc/31/53/45/500315345.db2.gz PXANQTIRHMVYSD-KRWDZBQOSA-N 3 0 368.525 3.174 20 0 FGADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CCc1nc(-c2ccncc2)cs1 ZINC000422916104 500316479 /nfs/dbraw/zinc/31/64/79/500316479.db2.gz ZYYRREGZHQGRSD-ZDUSSCGKSA-N 2 0 353.495 3.261 20 0 FGADRP CCOC(=O)COc1ccc(CC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)cc1 ZINC000422922443 500316729 /nfs/dbraw/zinc/31/67/29/500316729.db2.gz STBFNJGHXVEPIJ-QHAWAJNXSA-N 2 0 374.525 3.071 20 0 FGADRP CCOC(=O)C1([C@H](C)[NH2+]C[C@@H](C)Oc2ccccc2Cl)CC[NH2+]CC1 ZINC000422919970 500316923 /nfs/dbraw/zinc/31/69/23/500316923.db2.gz LGLQBKBCDJTGJH-CABCVRRESA-N 2 0 368.905 3.018 20 0 FGADRP CCOc1ccc([C@H](C)NC(=O)CCC[NH2+][C@H]2CC[NH2+]CC[C@@H]2C)cc1 ZINC000422926731 500317686 /nfs/dbraw/zinc/31/76/86/500317686.db2.gz DTCCQEAFVVNZPN-ZWOKBUDYSA-N 2 0 361.530 3.020 20 0 FGADRP CCOC(=O)C1([C@@H](C)[NH2+]C2(c3ccc(Cl)cc3)CC2)CC[NH2+]CC1 ZINC000422934527 500319116 /nfs/dbraw/zinc/31/91/16/500319116.db2.gz JRYDOQVDFVALLF-CQSZACIVSA-N 2 0 350.890 3.240 20 0 FGADRP CCN(C(=O)NCCC[C@@H]1CCC[NH2+]1)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000418780670 500322548 /nfs/dbraw/zinc/32/25/48/500322548.db2.gz YOPKGHFXYGCZDJ-HLAWJBBLSA-N 2 0 372.557 3.386 20 0 FGADRP [NH3+]CC1CCC([NH2+][C@@H](Cc2ccccc2)C(=O)NCc2ccccc2)CC1 ZINC000422950424 500322816 /nfs/dbraw/zinc/32/28/16/500322816.db2.gz YCTYAGSIVGTHPU-VTLFHKLASA-N 2 0 365.521 3.021 20 0 FGADRP Cc1ccc(Br)cc1NC(=O)CC[NH2+][C@@H]1CCCCC[C@@H]1[NH3+] ZINC000422953140 500323302 /nfs/dbraw/zinc/32/33/02/500323302.db2.gz DITZNYDYYPAEKB-LSDHHAIUSA-N 2 0 368.319 3.336 20 0 FGADRP Cc1ccc(Br)cc1NC(=O)CC[NH2+]C1CCC(C[NH3+])CC1 ZINC000422954958 500323363 /nfs/dbraw/zinc/32/33/63/500323363.db2.gz KBZQTOHWHNIBJK-UHFFFAOYSA-N 2 0 368.319 3.193 20 0 FGADRP C[C@H]1CC[N@H+](CCOc2ccc(NC(=O)[C@H](C[NH3+])c3ccccc3)cc2)C1 ZINC000431017247 500323916 /nfs/dbraw/zinc/32/39/16/500323916.db2.gz OQHZYMLLJWHGEE-LAUBAEHRSA-N 2 0 367.493 3.088 20 0 FGADRP COc1ccc(C(=O)Nc2cccc(OCC[NH2+][C@H](C)C[C@H](C)[NH3+])c2)cc1 ZINC000422958255 500323983 /nfs/dbraw/zinc/32/39/83/500323983.db2.gz OUYXWEJDPGLOAS-JKSUJKDBSA-N 2 0 371.481 3.042 20 0 FGADRP CC1CC[NH+](Cc2ccccc2C[NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)CC1 ZINC000422970207 500325372 /nfs/dbraw/zinc/32/53/72/500325372.db2.gz VUYZMWAFMUHIJJ-RJGXRXQPSA-N 3 0 371.569 3.165 20 0 FGADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(OCCOc2ccccc2)nc1 ZINC000422971506 500325402 /nfs/dbraw/zinc/32/54/02/500325402.db2.gz IUWUFCYQHNGGDE-QUCCMNQESA-N 2 0 355.482 3.147 20 0 FGADRP FC(F)(F)c1cnc(OCCC[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c(Cl)c1 ZINC000423015460 500331094 /nfs/dbraw/zinc/33/10/94/500331094.db2.gz RADBSBORLJSFPG-FUNVUKJBSA-N 2 0 363.811 3.395 20 0 FGADRP CN1CC[C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@H]1c1ccc(Cl)c(F)c1 ZINC000423021242 500332027 /nfs/dbraw/zinc/33/20/27/500332027.db2.gz DTLYNFSVZFCAJE-XAHNJQFWSA-N 2 0 351.897 3.345 20 0 FGADRP COc1ccc(C[C@H](C)C[NH2+][C@@H](Cc2ccccc2)[C@@H](C)[NH3+])cc1OC ZINC000423027690 500333110 /nfs/dbraw/zinc/33/31/10/500333110.db2.gz RTDPQFSIQRVQBN-QKLQHJQFSA-N 2 0 356.510 3.431 20 0 FGADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]C1CCN(C(=O)c2ccccc2C(F)(F)F)CC1 ZINC000423047833 500334844 /nfs/dbraw/zinc/33/48/44/500334844.db2.gz HGJIWASLAFQPNA-DYVFJYSZSA-N 2 0 369.431 3.027 20 0 FGADRP C[C@H]([NH3+])C[C@H](C)[NH2+]C1CCN(C(=O)c2ccccc2C(F)(F)F)CC1 ZINC000423048770 500335254 /nfs/dbraw/zinc/33/52/54/500335254.db2.gz ITCPTGOZDKACFH-STQMWFEESA-N 2 0 357.420 3.025 20 0 FGADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCc1ccc(OCC(F)(F)F)nc1 ZINC000423049364 500335766 /nfs/dbraw/zinc/33/57/66/500335766.db2.gz JSUUROQOHAPTGC-WMLDXEAASA-N 2 0 367.415 3.113 20 0 FGADRP CCOC(=O)C1([C@@H](C)[NH2+]Cc2ccc(C(F)(F)F)cc2C)CC[NH2+]CC1 ZINC000423057327 500336994 /nfs/dbraw/zinc/33/69/94/500336994.db2.gz HASISKASBRSAOT-CQSZACIVSA-N 2 0 372.431 3.425 20 0 FGADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]C[C@H]1CSCCN1Cc1ccccc1 ZINC000423068949 500338192 /nfs/dbraw/zinc/33/81/92/500338192.db2.gz AJFHKAQSVRDIPW-NYVOZVTQSA-N 2 0 369.578 3.152 20 0 FGADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+][C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000423090626 500340688 /nfs/dbraw/zinc/34/06/88/500340688.db2.gz VWOZRHCHZYVSCN-OIISXLGYSA-N 2 0 352.320 3.277 20 0 FGADRP C[C@H](CCC[NH3+])[NH2+]Cc1ccc(I)c(Cl)c1 ZINC000423102851 500342378 /nfs/dbraw/zinc/34/23/78/500342378.db2.gz ACYIIJQDBDQPDA-SECBINFHSA-N 2 0 352.647 3.162 20 0 FGADRP C[C@H](CCc1ccc(I)cc1)[NH2+]C1CCC([NH3+])CC1 ZINC000423105262 500343511 /nfs/dbraw/zinc/34/35/11/500343511.db2.gz YUHGDOJDWGYWHC-UWTIGNOOSA-N 2 0 372.294 3.472 20 0 FGADRP Clc1ccc(N2CCOCC2)c(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)c1 ZINC000423110892 500343725 /nfs/dbraw/zinc/34/37/25/500343725.db2.gz WDJWRFYSULMBNL-IPMKNSEASA-N 2 0 363.933 3.187 20 0 FGADRP c1ccc(C[N@H+]2CCCC[C@H](CN[C@@H]3CCOC[C@H]3[C@H]3CCC[NH2+]3)C2)cc1 ZINC000423141782 500347833 /nfs/dbraw/zinc/34/78/33/500347833.db2.gz RUKFZTVCNZDTKB-KAOXLYBCSA-N 3 0 371.569 3.035 20 0 FGADRP CCCOc1c(OC)cc(CC[NH2+][C@H]2CC[NH2+]CC[C@@H]2C)cc1OC ZINC000423147041 500348632 /nfs/dbraw/zinc/34/86/32/500348632.db2.gz BVKHQJYEQRTXEN-RDJZCZTQSA-N 2 0 350.503 3.013 20 0 FGADRP CC[C@@H]([NH2+][C@H]1CCc2nc(-c3ccc(F)cc3F)cn2C1)[C@@H]1CCC[NH2+]1 ZINC000423156009 500349277 /nfs/dbraw/zinc/34/92/77/500349277.db2.gz RMOREMGGWOTDGO-QGTPRVQTSA-N 2 0 360.452 3.263 20 0 FGADRP Cc1ccc(C[C@H](CO)C[NH2+][C@H]2CCCC[C@@H]2C[NH3+])cc1Br ZINC000423169806 500350590 /nfs/dbraw/zinc/35/05/90/500350590.db2.gz ZZDVSYWVGOEPMZ-JZXOWHBKSA-N 2 0 369.347 3.016 20 0 FGADRP Brc1ccc(/C=C/C[NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000423165975 500350727 /nfs/dbraw/zinc/35/07/27/500350727.db2.gz YRLIYBSSCPCKPQ-UIBRLXJXSA-N 2 0 365.315 3.209 20 0 FGADRP CO[C@H]1c2ccccc2C[C@H]1[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423173191 500351263 /nfs/dbraw/zinc/35/12/63/500351263.db2.gz XIJAZCXIVGJGHL-WKDRNLAYSA-N 2 0 350.462 3.144 20 0 FGADRP C[C@H]([NH2+]C1CCN(Cc2cccc(Br)c2)CC1)[C@@H]1CCC[NH2+]1 ZINC000423175824 500351627 /nfs/dbraw/zinc/35/16/27/500351627.db2.gz FGJQQSJDYVVARO-KSSFIOAISA-N 2 0 366.347 3.144 20 0 FGADRP C[C@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1ccc(OC[C@H]2CCCCO2)c(F)c1 ZINC000423219107 500356039 /nfs/dbraw/zinc/35/60/39/500356039.db2.gz WDHVCEYKHLALOW-XYJFISCASA-N 2 0 350.478 3.424 20 0 FGADRP C[NH2+]C[C@@H](C)C[NH2+][C@H](C)CCc1ccc(I)cc1 ZINC000423270748 500360760 /nfs/dbraw/zinc/36/07/60/500360760.db2.gz IJFWKSRTUBBTBW-CHWSQXEVSA-N 2 0 360.283 3.057 20 0 FGADRP Cc1ccc([C@H](CNC(=O)C(C)(C)[C@@H]([NH3+])c2ccccc2)[NH+](C)C)cc1 ZINC000423347988 500366045 /nfs/dbraw/zinc/36/60/45/500366045.db2.gz RPLWDZJQJKJKDC-PMACEKPBSA-N 2 0 353.510 3.440 20 0 FGADRP CC(C)n1ccc(C[C@@H](C)[NH2+][C@@H]2CNCC[C@@H]2c2ccc(F)c(F)c2)n1 ZINC000423372009 500368231 /nfs/dbraw/zinc/36/82/31/500368231.db2.gz QTJIBYWJDNIYDI-WIBUTAKZSA-N 2 0 362.468 3.409 20 0 FGADRP Cc1cc2c(cc1C)[C@@H]([NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F)CCS2 ZINC000423397137 500370573 /nfs/dbraw/zinc/37/05/73/500370573.db2.gz UKAFAEVNYCVDFX-DOTOQJQBSA-N 2 0 373.488 3.266 20 0 FGADRP COCC1(C[NH2+][C@@H](c2cccnc2)c2ccc(F)c(C)c2)CC[NH2+]CC1 ZINC000423398970 500370601 /nfs/dbraw/zinc/37/06/01/500370601.db2.gz DQCDHAZKKRYAKS-HXUWFJFHSA-N 2 0 357.473 3.224 20 0 FGADRP Cc1nc(C(C)C)sc1[C@H](C)[NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000423399695 500370651 /nfs/dbraw/zinc/37/06/51/500370651.db2.gz WOLIPPHMLCIPCW-AAEUAGOBSA-N 2 0 364.481 3.062 20 0 FGADRP COCC1(C[NH2+][C@@H]2CCc3ccc(Br)cc32)CC[NH2+]CC1 ZINC000423408562 500371595 /nfs/dbraw/zinc/37/15/95/500371595.db2.gz OWWNSADEEPGJCF-MRXNPFEDSA-N 2 0 353.304 3.042 20 0 FGADRP C[C@H]([NH2+]C[C@@H]1NCCc2ccccc21)c1ccc(OCC[NH+](C)C)cc1 ZINC000423445797 500375617 /nfs/dbraw/zinc/37/56/17/500375617.db2.gz YQSBCLNBLOEIEH-JTSKRJEESA-N 2 0 353.510 3.165 20 0 FGADRP C[C@@H]([NH2+][C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)c1cc(Cl)cc(Cl)c1 ZINC000423452880 500375766 /nfs/dbraw/zinc/37/57/66/500375766.db2.gz KGWHUHPOPXJEDY-ONUMYQOESA-N 2 0 370.324 3.291 20 0 FGADRP Fc1ccc([C@@H]2CC[NH2+]C[C@@H]2CN[C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)cc1 ZINC000423473747 500377651 /nfs/dbraw/zinc/37/76/51/500377651.db2.gz NXXOSGBPDPQWJV-SGCGGLILSA-N 2 0 359.533 3.419 20 0 FGADRP COc1ccc(Cl)cc1[C@@H](C)[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000423500613 500380091 /nfs/dbraw/zinc/38/00/91/500380091.db2.gz CEVNIACNHOFQDT-ODIFPOPNSA-N 2 0 351.922 3.216 20 0 FGADRP CC1(C)[C@H]([NH2+]C2CCC([NH+]3CCNCC3)CC2)C[C@H]1OCc1ccccc1 ZINC000423521780 500381558 /nfs/dbraw/zinc/38/15/58/500381558.db2.gz TVFMLTOLUPJDQE-LIKPIUCQSA-N 2 0 371.569 3.176 20 0 FGADRP CC1(C)[C@H](OCc2ccccc2)C[C@@H]1[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000423521781 500381671 /nfs/dbraw/zinc/38/16/71/500381671.db2.gz TVFMLTOLUPJDQE-QZNJRLLKSA-N 2 0 371.569 3.176 20 0 FGADRP C[C@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)c1ccccc1OC(F)(F)F ZINC000423522645 500381781 /nfs/dbraw/zinc/38/17/81/500381781.db2.gz VCQMPXGTJRNLOY-FHERZECASA-N 2 0 371.447 3.452 20 0 FGADRP Fc1ccc(CC[NH+]2CCC(N[C@@H]3C[NH2+]C[C@H]3c3ccccc3)CC2)cc1 ZINC000423525157 500382349 /nfs/dbraw/zinc/38/23/49/500382349.db2.gz KHOVFFIKNTYZIR-XZOQPEGZSA-N 2 0 367.512 3.178 20 0 FGADRP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1ccccc1I ZINC000423542179 500383519 /nfs/dbraw/zinc/38/35/19/500383519.db2.gz LWSXJKDISDGIIE-RFQIPJPRSA-N 2 0 370.278 3.330 20 0 FGADRP C[C@H](Cc1ccc(Br)c(F)c1)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000423549541 500384285 /nfs/dbraw/zinc/38/42/85/500384285.db2.gz SKIBBSSOMGJGDT-UQOMUDLDSA-N 2 0 355.295 3.497 20 0 FGADRP C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]CCC1=CC[NH2+]CC1 ZINC000423566359 500385660 /nfs/dbraw/zinc/38/56/60/500385660.db2.gz UFMLYBWGZNCRCN-ZDUSSCGKSA-N 2 0 355.404 3.322 20 0 FGADRP C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+]CCC1=CC[NH2+]CC1 ZINC000423567852 500385684 /nfs/dbraw/zinc/38/56/84/500385684.db2.gz VBYOGGMSJRWUEN-CYBMUJFWSA-N 2 0 371.403 3.202 20 0 FGADRP NC1(C[NH2+][C@@H]2CCc3c2cccc3F)CC[NH+](Cc2ccccc2)CC1 ZINC000423578195 500386172 /nfs/dbraw/zinc/38/61/72/500386172.db2.gz UEXJZOKMONDOJU-OAQYLSRUSA-N 2 0 353.485 3.396 20 0 FGADRP CC(C)O[C@H]1C[C@@H]([NH2+]CC2(N)CC[NH+](Cc3ccccc3)CC2)C1(C)C ZINC000423581780 500386634 /nfs/dbraw/zinc/38/66/34/500386634.db2.gz ZLAPQHPTTNDILA-UXHICEINSA-N 2 0 359.558 3.162 20 0 FGADRP COc1cccc([C@H](CNC(=O)C[C@@H](c2ccccc2)[NH+](C)C)[NH+](C)C)c1 ZINC000431560169 500392297 /nfs/dbraw/zinc/39/22/97/500392297.db2.gz YHJCMBFKJBWGAY-SFTDATJTSA-N 2 0 369.509 3.107 20 0 FGADRP COc1ccc(C[NH+]2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)c(OC(F)F)c1 ZINC000582348119 506192996 /nfs/dbraw/zinc/19/29/96/506192996.db2.gz KUVIRAFVWWDTDU-NVXWUHKLSA-N 2 0 370.440 3.015 20 0 FGADRP COc1ccc(C[N@@H+]2CCCN(C(=O)c3ccc([C@H](C)[NH3+])cc3)CC2)cc1 ZINC000423731419 500397437 /nfs/dbraw/zinc/39/74/37/500397437.db2.gz NZTVRFDUTQNOKQ-KRWDZBQOSA-N 2 0 367.493 3.063 20 0 FGADRP CCN(CCC[NH+](CC)CC)C(=O)c1ccccc1CC1CC[NH2+]CC1 ZINC000423787815 500401315 /nfs/dbraw/zinc/40/13/15/500401315.db2.gz VMZBLEUFYFFUQN-UHFFFAOYSA-N 2 0 359.558 3.423 20 0 FGADRP CC(C)CC[NH+]1CCC(CNC(=O)NC[C@H](C)C[NH+]2CCCCC2)CC1 ZINC000431643478 500401927 /nfs/dbraw/zinc/40/19/27/500401927.db2.gz BAOQMFDNIAJAMI-IBGZPJMESA-N 2 0 366.594 3.166 20 0 FGADRP CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000431668731 500406306 /nfs/dbraw/zinc/40/63/06/500406306.db2.gz AWQMKUGNKOARGE-FCFHUKJJSA-N 2 0 364.578 3.202 20 0 FGADRP CC(C)[C@@H](C(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1)[C@@H](C)[NH3+] ZINC000423856414 500412946 /nfs/dbraw/zinc/41/29/46/500412946.db2.gz WUWGJFAOIAUCDV-UYAOXDASSA-N 2 0 357.542 3.121 20 0 FGADRP C[NH+](C)Cc1cc(CNC(=O)C[C@@H](c2ccccc2)[NH+](C)C)ccc1F ZINC000431765111 500421212 /nfs/dbraw/zinc/42/12/12/500421212.db2.gz AQKPVXFHYNEXDI-FQEVSTJZSA-N 2 0 357.473 3.197 20 0 FGADRP CC[NH+](CC)C[C@H]1CCCC[C@H]1NC(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000431795794 500426066 /nfs/dbraw/zinc/42/60/66/500426066.db2.gz HVLUWDVNOBTQPQ-NHCUHLMSSA-N 2 0 374.573 3.448 20 0 FGADRP C[C@H]1CCC[C@@H](CC(=O)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)C1 ZINC000424016997 500437037 /nfs/dbraw/zinc/43/70/37/500437037.db2.gz FEQDTNKVPRPYER-AZUAARDMSA-N 2 0 357.542 3.313 20 0 FGADRP COc1ccc([C@H](C[NH3+])C[N@@H+]2CCC[C@@H]2c2cccc3c2OCCO3)cc1 ZINC000420302465 500437754 /nfs/dbraw/zinc/43/77/54/500437754.db2.gz MHXLPXVISYNZHL-YLJYHZDGSA-N 2 0 368.477 3.346 20 0 FGADRP COC(=O)c1cccc(-c2nc(C[N@@H+]3CCC[C@H](CC[NH3+])C3)cs2)c1 ZINC000420306510 500438328 /nfs/dbraw/zinc/43/83/28/500438328.db2.gz HRCRRNFSMQZTRI-CQSZACIVSA-N 2 0 359.495 3.158 20 0 FGADRP [NH3+]CC[C@H]1CCC[N@@H+]([C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)C1 ZINC000420312760 500438752 /nfs/dbraw/zinc/43/87/52/500438752.db2.gz OVRMFLGHALPRJQ-MLGOLLRUSA-N 2 0 356.297 3.160 20 0 FGADRP c1ccc(COc2cncc(C[N@@H+]3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)c2)cc1 ZINC000420320260 500441017 /nfs/dbraw/zinc/44/10/17/500441017.db2.gz BCKQOAJZEKOTFM-RTWAWAEBSA-N 2 0 351.494 3.482 20 0 FGADRP COc1ccc(-c2noc([C@H](C)[N@@H+]3CCC[C@H]([C@H]4CC[NH2+]C4)C3)n2)cc1 ZINC000420326426 500441364 /nfs/dbraw/zinc/44/13/64/500441364.db2.gz JXCNZIWXSBAQIV-XIRDDKMYSA-N 2 0 356.470 3.128 20 0 FGADRP CCC[N@H+](CC[C@@H]1CCC[NH2+]C1)CC(=O)Nc1ccc(F)c(F)c1F ZINC000420326868 500441877 /nfs/dbraw/zinc/44/18/77/500441877.db2.gz YACXFIPYBYGMDG-ZDUSSCGKSA-N 2 0 357.420 3.144 20 0 FGADRP C[C@H](C(=O)Nc1ccc(C(F)(F)F)cc1)[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000420331071 500443413 /nfs/dbraw/zinc/44/34/13/500443413.db2.gz BLMHJXVMRADRIE-DYVFJYSZSA-N 2 0 369.431 3.496 20 0 FGADRP CC[C@H](C(=O)N1CCC([C@@H]2[NH2+]CC2(C)C)CC1)[N@H+](C)Cc1ccccc1 ZINC000424048719 500443568 /nfs/dbraw/zinc/44/35/68/500443568.db2.gz ZICCUKFOFKLSKX-UXHICEINSA-N 2 0 357.542 3.134 20 0 FGADRP CCCN(Cc1ccc(C)cc1)C(=O)C[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420335001 500443796 /nfs/dbraw/zinc/44/37/96/500443796.db2.gz HAMYLCNKWNJHDH-LEWJYISDSA-N 2 0 357.542 3.055 20 0 FGADRP CCCN(Cc1ccc(C)cc1)C(=O)C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000420337707 500443814 /nfs/dbraw/zinc/44/38/14/500443814.db2.gz JYXPMPPSWJTLJM-OAQYLSRUSA-N 2 0 357.542 3.198 20 0 FGADRP c1ccc(-n2nc(C[N@@H+]3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)c3c2CCC3)cc1 ZINC000420335979 500443895 /nfs/dbraw/zinc/44/38/95/500443895.db2.gz VHSSSAYPZGWFNZ-ZWKOTPCHSA-N 2 0 350.510 3.183 20 0 FGADRP CCC[C@H](NC(=O)[C@H](C)[NH+]1CCC([C@H]2CCC[NH2+]2)CC1)c1ccccc1 ZINC000420343773 500445539 /nfs/dbraw/zinc/44/55/39/500445539.db2.gz RGPHJMSJRADFNC-WMQCIHAUSA-N 2 0 357.542 3.497 20 0 FGADRP CCC[N@H+](CC)Cc1ccc(C(=O)N2C[C@H]([NH3+])Cc3ccccc32)cc1 ZINC000424069277 500447157 /nfs/dbraw/zinc/44/71/57/500447157.db2.gz BNCBBUQTFQFJTK-HXUWFJFHSA-N 2 0 351.494 3.449 20 0 FGADRP [NH3+][C@H]1CCCO[C@@H]1C1CC[NH+](CCOc2ccccc2C(F)(F)F)CC1 ZINC000420381885 500452076 /nfs/dbraw/zinc/45/20/76/500452076.db2.gz PFUYLYHLHAPLHC-FUHWJXTLSA-N 2 0 372.431 3.303 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC000573446638 506196420 /nfs/dbraw/zinc/19/64/20/506196420.db2.gz LWPBBWBCWFCKOZ-QIJUGHKUSA-N 2 0 369.553 3.420 20 0 FGADRP CO[C@H]1C[C@H]2C[C@H]([NH2+]CCCN3CC[N@H+](C)C[C@@H]3c3ccccc3)C[C@H]2C1 ZINC000424275151 500479595 /nfs/dbraw/zinc/47/95/95/500479595.db2.gz ZVVCOZQLYAMTKX-OOYIDZMOSA-N 2 0 371.569 3.158 20 0 FGADRP C[C@@H]1CC2(C[N@@H+]1CC(=O)N[C@H](c1cccs1)C(C)(C)C)CC[NH2+]CC2 ZINC000424288627 500481607 /nfs/dbraw/zinc/48/16/07/500481607.db2.gz KUTHLVIMBUGDRL-CRAIPNDOSA-N 2 0 363.571 3.416 20 0 FGADRP CC[C@@H](NC(=O)C[N@@H+]1CC2(C[C@H]1C)CC[NH2+]CC2)c1ccc(Cl)cc1 ZINC000424287624 500481987 /nfs/dbraw/zinc/48/19/87/500481987.db2.gz JERLXMPLQXHAQR-CRAIPNDOSA-N 2 0 363.933 3.371 20 0 FGADRP COc1c(Br)cccc1C[N@@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424371230 500493181 /nfs/dbraw/zinc/49/31/81/500493181.db2.gz DDMHXQBIIZFDOB-ZDUSSCGKSA-N 2 0 353.304 3.422 20 0 FGADRP CC[NH+](CC)Cc1cccc(CNC(=O)NCC2CC[NH+](C3CC3)CC2)c1 ZINC000428303063 500493455 /nfs/dbraw/zinc/49/34/55/500493455.db2.gz GAFBWBWUHGIMNM-UHFFFAOYSA-N 2 0 372.557 3.202 20 0 FGADRP C[NH+](C)C1CCC(NC(=O)NC[C@@H]2CCC[N@@H+]2CC2CCCCC2)CC1 ZINC000420790130 500502118 /nfs/dbraw/zinc/50/21/18/500502118.db2.gz NBKPVVYWHXQIHE-MHJFOBGBSA-N 2 0 364.578 3.203 20 0 FGADRP Cc1cc(C[NH3+])cc(NC(=O)N[C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000424428780 500503349 /nfs/dbraw/zinc/50/33/49/500503349.db2.gz UVTYCFPNHQZICB-YLJYHZDGSA-N 2 0 366.509 3.486 20 0 FGADRP Cc1cc(C[NH3+])cc(NC(=O)NC2CC[NH+]([C@@H](C)c3ccncc3)CC2)c1 ZINC000424440893 500505698 /nfs/dbraw/zinc/50/56/98/500505698.db2.gz VSGDZSAOWVHUMC-INIZCTEOSA-N 2 0 367.497 3.196 20 0 FGADRP CCNC(=O)C(C)(C)C[NH2+][C@@H]1CCCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000428457946 500512580 /nfs/dbraw/zinc/51/25/80/500512580.db2.gz IAJUZXYAETXXGG-NJDAHSKKSA-N 2 0 371.569 3.429 20 0 FGADRP Cc1c([C@H](C)NCCC[N@@H+]2CCCO[C@@H](C)C2)nnn1-c1ccc(C)cc1 ZINC000432412780 500512940 /nfs/dbraw/zinc/51/29/40/500512940.db2.gz CVDFCUQXRMGURR-ROUUACIJSA-N 2 0 371.529 3.036 20 0 FGADRP CCC[NH+]1CCN(c2ccccc2C[N@@H+]2CCC[C@@](CC)(CO)C2)CC1 ZINC000428468169 500513966 /nfs/dbraw/zinc/51/39/66/500513966.db2.gz MRAQUJPIXHLHDF-JOCHJYFZSA-N 2 0 359.558 3.203 20 0 FGADRP CCc1ccc([C@@H](CNC(=O)N2CC[NH+]3CCC2CC3)[NH+](CC)CC)cc1 ZINC000432432904 500515867 /nfs/dbraw/zinc/51/58/67/500515867.db2.gz UHCFCTLGLSFYAH-OAQYLSRUSA-N 2 0 372.557 3.122 20 0 FGADRP Cc1cc(CNC(=O)N2CCC[N@H+](Cc3ccccc3)CC2)cc(C)n1 ZINC000420856500 500516892 /nfs/dbraw/zinc/51/68/92/500516892.db2.gz YGYZZMRUZMAUGX-UHFFFAOYSA-N 2 0 352.482 3.116 20 0 FGADRP C[C@H]1CCN(C(=O)NC2CCC([NH+](C)C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000420904575 500526669 /nfs/dbraw/zinc/52/66/69/500526669.db2.gz PUHOLOJVYHZYRE-PELRDEGISA-N 2 0 372.557 3.165 20 0 FGADRP [NH3+]C1(CNC(=O)c2ccc(C[NH+]3CCSCC3)cc2)CCCCCC1 ZINC000428581062 500529251 /nfs/dbraw/zinc/52/92/51/500529251.db2.gz JJHODRJHCAVOSZ-UHFFFAOYSA-N 2 0 361.555 3.017 20 0 FGADRP CC(C)(CO)[C@@H]([NH2+]Cc1ccc(CN2CCOCC2)cc1)c1ccccc1 ZINC000420923403 500531340 /nfs/dbraw/zinc/53/13/40/500531340.db2.gz QAPHRIPWZVODCJ-QFIPXVFZSA-N 2 0 368.521 3.368 20 0 FGADRP CC[NH+]1CCC(N2CCC[N@H+](Cc3cnc4ccccc4c3)CC2)CC1 ZINC000420986738 500548825 /nfs/dbraw/zinc/54/88/25/500548825.db2.gz YSWMZIXFMIBALZ-UHFFFAOYSA-N 2 0 352.526 3.227 20 0 FGADRP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+]2CC[C@@H](C)C[C@@H](C)C2)CC1 ZINC000432781783 500562979 /nfs/dbraw/zinc/56/29/79/500562979.db2.gz PTMPCTVGGPFARD-RTBURBONSA-N 2 0 371.569 3.444 20 0 FGADRP CC[NH+](CC)CCOC1CC[NH+]([C@@H](C)c2cc(C(=O)OC)c(C)o2)CC1 ZINC000432824459 500572552 /nfs/dbraw/zinc/57/25/52/500572552.db2.gz OYHUMMLITKPJFG-HNNXBMFYSA-N 2 0 366.502 3.258 20 0 FGADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](Cc1ccc(F)cc1)c1ccccc1 ZINC000447533558 500618925 /nfs/dbraw/zinc/61/89/25/500618925.db2.gz RPEIKURYHIWIBP-GCJKJVERSA-N 2 0 355.501 3.335 20 0 FGADRP Cc1ccc([C@@H]2[C@@H](C)CCCN2C(=O)CCC[NH+]2CCC([NH3+])CC2)cc1 ZINC000433124297 500631318 /nfs/dbraw/zinc/63/13/18/500631318.db2.gz BASWBOKTYLJTPG-AVRDEDQJSA-N 2 0 357.542 3.498 20 0 FGADRP CCCC[C@@H](NC(=O)CCC[NH+]1CCC([NH3+])CC1)c1ccc(OC)cc1 ZINC000433143153 500634574 /nfs/dbraw/zinc/63/45/74/500634574.db2.gz XMANNXKJSDLOMS-HXUWFJFHSA-N 2 0 361.530 3.246 20 0 FGADRP CC(C)[C@@H](C[NH3+])C(=O)NCCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000433160809 500636806 /nfs/dbraw/zinc/63/68/06/500636806.db2.gz PTWRHRCOJXCORK-OAQYLSRUSA-N 2 0 359.558 3.068 20 0 FGADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H](O)Cc2ccc(C(F)(F)F)cc2)C[C@H]1C ZINC000437570846 500661831 /nfs/dbraw/zinc/66/18/31/500661831.db2.gz RDKIOPZXAMHJDJ-JLSDUUJJSA-N 2 0 358.448 3.413 20 0 FGADRP C[C@H](C(=O)N[C@@H](C)c1cccc2ccccc21)[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443065396 500672733 /nfs/dbraw/zinc/67/27/33/500672733.db2.gz ZTCAESYMLNGOLY-KSZLIROESA-N 2 0 353.510 3.466 20 0 FGADRP C[C@H](C(=O)N(c1nccs1)C1CCCCC1)[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443073188 500674894 /nfs/dbraw/zinc/67/48/94/500674894.db2.gz OXZGKDOKTUXEJP-CVEARBPZSA-N 2 0 364.559 3.258 20 0 FGADRP CC[C@H]([NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1)C12CC3CC(CC(C3)C1)C2 ZINC000437646704 500675451 /nfs/dbraw/zinc/67/54/51/500675451.db2.gz PGWHLTLFEIVPFW-DSQUVOCVSA-N 2 0 373.585 3.314 20 0 FGADRP C[C@H](NC(=O)[C@@]12CCC[C@@H]1C[N@H+](Cc1ccccc1)C2)C1=CC[NH+](C)CC1 ZINC000443122196 500683156 /nfs/dbraw/zinc/68/31/56/500683156.db2.gz ZYRMPYPTBGJHJL-QTGUNEKASA-N 2 0 367.537 3.055 20 0 FGADRP CC(C)(C)c1cnc(C[NH2+]CCCN2CCN(c3cc[nH+]cc3)CC2)s1 ZINC000447937200 500692900 /nfs/dbraw/zinc/69/29/00/500692900.db2.gz VWSOSVUIPVRQCF-UHFFFAOYSA-N 2 0 373.570 3.138 20 0 FGADRP Cc1ccc([C@H](CNC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)[NH+]2CCCC2)cc1 ZINC000443242232 500700348 /nfs/dbraw/zinc/70/03/48/500700348.db2.gz UUFCWWBYYKRYDA-ICSRJNTNSA-N 2 0 374.573 3.407 20 0 FGADRP O=C(NC[C@@H]1CCC[N@@H+]1C1CCCCC1)NC1CC([NH+]2CCCCC2)C1 ZINC000437857911 500708103 /nfs/dbraw/zinc/70/81/03/500708103.db2.gz IZNMKSADGJIJRF-SYYJFZTOSA-N 2 0 362.562 3.100 20 0 FGADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)NC[C@@H]2CCC[NH+]2C2CCCCC2)C1 ZINC000438141685 500744438 /nfs/dbraw/zinc/74/44/38/500744438.db2.gz KSRAMPPELUTRND-QUCCMNQESA-N 2 0 364.578 3.203 20 0 FGADRP C[N@H+](CC1CC1)C[C@H]1CC[NH+](C[C@@H](O)Cc2ccccc2C(F)(F)F)C1 ZINC000443619480 500746154 /nfs/dbraw/zinc/74/61/54/500746154.db2.gz QQMGVEFISVVENE-AEFFLSMTSA-N 2 0 370.459 3.273 20 0 FGADRP C[NH+](C)CCN(C(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1)C1CCCC1 ZINC000438327360 500770501 /nfs/dbraw/zinc/77/05/01/500770501.db2.gz QODZDFCNAUFUPD-HXUWFJFHSA-N 2 0 364.578 3.299 20 0 FGADRP CCCC[NH+]1CCC(NC(=O)NC[C@@H]2CCCC[N@@H+]2CC(C)C)CC1 ZINC000439203119 500869375 /nfs/dbraw/zinc/86/93/75/500869375.db2.gz VRFGAHKOIJOVGK-IBGZPJMESA-N 2 0 352.567 3.061 20 0 FGADRP C[C@H]([NH3+])CCC(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000434690999 500880491 /nfs/dbraw/zinc/88/04/91/500880491.db2.gz MIPMIQSJTYHMGP-JCKWVBRZSA-N 2 0 371.447 3.332 20 0 FGADRP COc1cc(C[NH2+]C[C@H](C(C)C)N2CC[NH+](C)CC2)cc2ccccc21 ZINC000449074683 500918023 /nfs/dbraw/zinc/91/80/23/500918023.db2.gz LOEICYYIEYPETL-OAQYLSRUSA-N 2 0 355.526 3.210 20 0 FGADRP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]CCNC(=O)CC2CCCC2)CC1 ZINC000449111284 500927331 /nfs/dbraw/zinc/92/73/31/500927331.db2.gz KPOYMXNNUDRCNK-IBGZPJMESA-N 2 0 371.569 3.368 20 0 FGADRP Cc1cc(Br)c(C[NH2+][C@@H](C)CN2CC[NH+](C)CC2)cc1Cl ZINC000449120795 500929846 /nfs/dbraw/zinc/92/98/46/500929846.db2.gz FGRHJWHPDMTBKZ-ZDUSSCGKSA-N 2 0 374.754 3.136 20 0 FGADRP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+]C[C@@H]2CN(C3CC3)CCO2)CC1 ZINC000449122806 500929983 /nfs/dbraw/zinc/92/99/83/500929983.db2.gz MBSLKVPVOKIBRS-LJQANCHMSA-N 2 0 351.579 3.118 20 0 FGADRP Cc1cccc(CC[NH2+]Cc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)c1 ZINC000449139269 500933498 /nfs/dbraw/zinc/93/34/98/500933498.db2.gz AGVXOOPKKVUVFS-QFIPXVFZSA-N 2 0 365.521 3.025 20 0 FGADRP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]CCCOC[C@H]2CCOC2)CC1 ZINC000449162895 500938225 /nfs/dbraw/zinc/93/82/25/500938225.db2.gz KKQHKBXPMFQHKM-TZIWHRDSSA-N 2 0 360.542 3.115 20 0 FGADRP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@@H](CO)Cc2ccccc2)CC1 ZINC000449253036 500958404 /nfs/dbraw/zinc/95/84/04/500958404.db2.gz WSLHJSLREHKHMD-AUSIDOKSSA-N 2 0 352.522 3.275 20 0 FGADRP COc1ccc(C(=O)Nc2cccc(C[N@@H+]3CC[C@@H]([C@@H](C)[NH3+])C3)c2)cc1 ZINC000435370229 500961373 /nfs/dbraw/zinc/96/13/73/500961373.db2.gz IBIYOHVLUZOXSH-CRAIPNDOSA-N 2 0 353.466 3.117 20 0 FGADRP C[NH2+]CCC1CC[NH+](Cc2ccc(OCC(F)(F)F)c(OC)c2)CC1 ZINC000435372386 500961512 /nfs/dbraw/zinc/96/15/12/500961512.db2.gz AJIOYIVAGAZEOE-UHFFFAOYSA-N 2 0 360.420 3.458 20 0 FGADRP COc1c(Br)cccc1C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000435378402 500962987 /nfs/dbraw/zinc/96/29/87/500962987.db2.gz DPMKGDHKUHIKBK-INIZCTEOSA-N 2 0 353.304 3.422 20 0 FGADRP C[C@H]([NH3+])[C@H]1CCC[N@H+](Cc2cn(-c3ccccc3)nc2-c2cccnc2)C1 ZINC000435386076 500964747 /nfs/dbraw/zinc/96/47/47/500964747.db2.gz SKRWSBRUNXPBAJ-HKUYNNGSSA-N 2 0 361.493 3.494 20 0 FGADRP [NH3+]C[C@@H]1CC[N@H+](Cc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)C1 ZINC000435396814 500967647 /nfs/dbraw/zinc/96/76/47/500967647.db2.gz ZAFLLQVFUOYKDI-INIZCTEOSA-N 2 0 350.441 3.459 20 0 FGADRP Cc1ncsc1CN(Cc1cnc2c(C)cccn12)C[C@@H]1CC[NH2+]C1 ZINC000435426165 500972636 /nfs/dbraw/zinc/97/26/36/500972636.db2.gz GVMCPVYTNOKFSN-MRXNPFEDSA-N 2 0 355.511 3.019 20 0 FGADRP Cc1ncsc1C[N@H+](C[C@H](C)CC1CCOCC1)C[C@H]1CC[NH2+]C1 ZINC000435449755 500980254 /nfs/dbraw/zinc/98/02/54/500980254.db2.gz VTOKXHKOJGXVFU-QAPCUYQASA-N 2 0 351.560 3.316 20 0 FGADRP C[C@@H]1C[C@H]([NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)[C@H](C)O1 ZINC000449345407 500983215 /nfs/dbraw/zinc/98/32/15/500983215.db2.gz VMGATZLOZHPFKK-JYRKZWEQSA-N 2 0 358.526 3.071 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@H]2CCCC[NH+]2CC(C)C)C[C@H]1C ZINC000440185762 500985321 /nfs/dbraw/zinc/98/53/21/500985321.db2.gz LACZOBMNIDPUIR-CEXWTWQISA-N 2 0 352.567 3.011 20 0 FGADRP CC[NH+]1CCN(c2ccccc2C[NH2+]C[C@H]2CCO[C@H](C(C)C)C2)CC1 ZINC000449490707 501016164 /nfs/dbraw/zinc/01/61/64/501016164.db2.gz CLNQONQMLLPIJL-UGKGYDQZSA-N 2 0 359.558 3.369 20 0 FGADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)[C@@]23CCC[C@@H]2C[NH2+]C3)cc1 ZINC000435894239 501042935 /nfs/dbraw/zinc/04/29/35/501042935.db2.gz UHTDECPQXNDGEW-UCNVEGJOSA-N 2 0 355.526 3.067 20 0 FGADRP CC(C)(C)NC(=O)C[NH+]1CCC(C[NH2+]Cc2cc3c(cccc3F)[nH]2)CC1 ZINC000436291174 501102540 /nfs/dbraw/zinc/10/25/40/501102540.db2.gz KTMSVKITVXGHNU-UHFFFAOYSA-N 2 0 374.504 3.023 20 0 FGADRP CC[NH+](CC)CCN(Cc1ccccc1)C(=O)NCC1([NH+](C)C)CCC1 ZINC000446623850 501143676 /nfs/dbraw/zinc/14/36/76/501143676.db2.gz LCLDVZJZYACFLT-UHFFFAOYSA-N 2 0 360.546 3.024 20 0 FGADRP CO[C@@H](Cc1ccccc1)C[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000450643789 501173908 /nfs/dbraw/zinc/17/39/08/501173908.db2.gz RIEAGCIHMNBUIR-QFIPXVFZSA-N 2 0 353.510 3.488 20 0 FGADRP C[C@@H](CCNC(=O)c1sccc1C[NH+](C)C)[N@H+](C)Cc1ccccc1 ZINC000446888637 501177447 /nfs/dbraw/zinc/17/74/47/501177447.db2.gz KYVBEXXCHAKUKJ-INIZCTEOSA-N 2 0 359.539 3.450 20 0 FGADRP C[C@H]1CCC[C@@]1(C)C(=O)N(C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000450119570 501186036 /nfs/dbraw/zinc/18/60/36/501186036.db2.gz POLZADZOMKAEGP-PGRDOPGGSA-N 2 0 363.590 3.467 20 0 FGADRP O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000611639544 506239433 /nfs/dbraw/zinc/23/94/33/506239433.db2.gz JPRIIBPYAJUZNE-OALUTQOASA-N 2 0 374.529 3.076 20 0 FGADRP C[NH+](Cc1cc(Cl)cc(C[N@@H+](C)CC2(O)CCC2)c1)CC1(O)CCC1 ZINC000450747525 501199569 /nfs/dbraw/zinc/19/95/69/501199569.db2.gz ULVJGNSPYYKPJZ-UHFFFAOYSA-N 2 0 366.933 3.034 20 0 FGADRP CCc1cc(N2CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C2)cc[nH+]1 ZINC000450289774 501226800 /nfs/dbraw/zinc/22/68/00/501226800.db2.gz BYDIXORYXWRKRX-IBGZPJMESA-N 2 0 365.525 3.078 20 0 FGADRP c1ccc(C[N@@H+]2CC[C@@H](N3CC[NH+](CC45CCC(CC4)C5)CC3)C2)cc1 ZINC000450981985 501236802 /nfs/dbraw/zinc/23/68/02/501236802.db2.gz JRCDKTDGIJNLCS-GTMAMOSYSA-N 2 0 353.554 3.459 20 0 FGADRP CCC[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1)C1CCC1 ZINC000453108008 501270831 /nfs/dbraw/zinc/27/08/31/501270831.db2.gz JZKDOEKQBDLUQQ-NHCUHLMSSA-N 2 0 357.542 3.442 20 0 FGADRP CN(CC1CC[NH+](C)CC1)C(=O)NCC1([N@H+](C)Cc2ccccc2)CCC1 ZINC000455325206 501271821 /nfs/dbraw/zinc/27/18/21/501271821.db2.gz FJKKBKQKLLUFTB-UHFFFAOYSA-N 2 0 372.557 3.024 20 0 FGADRP CC[N@@H+]1CCC[C@H](CNC(=O)NCC2([NH+](C)Cc3ccccc3)CCC2)C1 ZINC000455343139 501276811 /nfs/dbraw/zinc/27/68/11/501276811.db2.gz YSZKPFLNRHXUPO-HXUWFJFHSA-N 2 0 372.557 3.072 20 0 FGADRP C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)NC(C)(C)C[NH+](C)C)C1 ZINC000457658701 501280259 /nfs/dbraw/zinc/28/02/59/501280259.db2.gz RKGSFGPBLQQXPF-QGZVFWFLSA-N 2 0 360.546 3.058 20 0 FGADRP CC[NH+](CC)Cc1cccc(CNC(=O)N(C)[C@H]2CC[N@@H+](C(C)C)C2)c1 ZINC000457670769 501283831 /nfs/dbraw/zinc/28/38/31/501283831.db2.gz OFUSLOAFCJXZGI-FQEVSTJZSA-N 2 0 360.546 3.153 20 0 FGADRP COC1([C@H](C)[NH2+]CC[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)CCOCC1 ZINC000453179615 501286487 /nfs/dbraw/zinc/28/64/87/501286487.db2.gz UYIFFJAICJPTRK-SVFBPWRDSA-N 2 0 360.542 3.461 20 0 FGADRP c1cn2c(n1)C[C@H]([NH2+][C@H]1CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@H]31)CC2 ZINC000453205235 501290421 /nfs/dbraw/zinc/29/04/21/501290421.db2.gz SXQSUXBBFMRAKG-ANULTFPQSA-N 2 0 350.510 3.231 20 0 FGADRP CCn1ccnc1[C@@H](C)NC(=O)NC[C@@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC000455482155 501314586 /nfs/dbraw/zinc/31/45/86/501314586.db2.gz XJSJVVDOKDJNAC-MJGOQNOKSA-N 2 0 369.513 3.409 20 0 FGADRP CN(C)Cc1cnc(CN2CCC3(CC2)OCCc2ccccc23)s1 ZINC000453574990 501351834 /nfs/dbraw/zinc/35/18/34/501351834.db2.gz JWAKCZOHYHLLQZ-UHFFFAOYSA-N 2 0 357.523 3.269 20 0 FGADRP CC[NH+]1CCN(CC(C)(C)[NH2+]CCOc2cc(Cl)ccc2Cl)CC1 ZINC000451984521 501413649 /nfs/dbraw/zinc/41/36/49/501413649.db2.gz LGMWXNFTVPKOKW-UHFFFAOYSA-N 2 0 374.356 3.378 20 0 FGADRP C[C@@H]1C[C@H](NC(=O)NCC[C@@H]2CCC[NH+](C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000458495527 501458574 /nfs/dbraw/zinc/45/85/74/501458574.db2.gz MNFOHXSFVMMHPQ-HLAWJBBLSA-N 2 0 372.557 3.071 20 0 FGADRP CCc1ccc([C@@H](CNC(=O)N(C)C[C@H]2CC[N@H+](C)C2)[NH+](CC)CC)cc1 ZINC000458793583 501532885 /nfs/dbraw/zinc/53/28/85/501532885.db2.gz NNMHKNFPPWXSDI-PZJWPPBQSA-N 2 0 374.573 3.225 20 0 FGADRP CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000454612690 501591873 /nfs/dbraw/zinc/59/18/73/501591873.db2.gz KCTVDRFCNLWNCO-IBGZPJMESA-N 2 0 364.578 3.203 20 0 FGADRP CC[N@H+](CC(=O)Nc1cc(Cl)ccc1OC1CC[NH+](C)CC1)C1CC1 ZINC000456789085 501598613 /nfs/dbraw/zinc/59/86/13/501598613.db2.gz IWKXSLFNDNEHDR-UHFFFAOYSA-N 2 0 365.905 3.236 20 0 FGADRP C[C@@H](NC(=O)N1CC[N@H+](Cc2ccccc2)C[C@H](C)C1)C(C)(C)C[NH+](C)C ZINC000454680691 501608049 /nfs/dbraw/zinc/60/80/49/501608049.db2.gz ZDSJNNLEZFRWKL-RBUKOAKNSA-N 2 0 374.573 3.126 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)[C@H](C)CN1C(=O)NCC[C@H]1CCC[NH+](C)C1 ZINC000459326206 501631431 /nfs/dbraw/zinc/63/14/31/501631431.db2.gz WVFRFLHQDOELRW-SFHLNBCPSA-N 2 0 372.557 3.023 20 0 FGADRP CC[C@H]1CN(C(=O)NCC[C@@H]2CCC[NH+](C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000459330831 501632125 /nfs/dbraw/zinc/63/21/25/501632125.db2.gz ZVCZMROBCDYNFB-SFTDATJTSA-N 2 0 372.557 3.024 20 0 FGADRP CC[NH+]1CCN(c2ccc(C[NH2+]Cc3ccc(C4CC4)cc3)cn2)CC1 ZINC000459379488 501643043 /nfs/dbraw/zinc/64/30/43/501643043.db2.gz SDRUVEXWZQZZIE-UHFFFAOYSA-N 2 0 350.510 3.391 20 0 FGADRP CCC(C)(C)[NH2+][C@H](C)C(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457067690 501644417 /nfs/dbraw/zinc/64/44/17/501644417.db2.gz LBSDWCYSIXPBKA-CYBMUJFWSA-N 2 0 351.457 3.028 20 0 FGADRP C[NH+](C)CCNC(=O)c1cccc(C[NH2+]Cc2ccc(C3CC3)cc2)c1 ZINC000459399689 501646481 /nfs/dbraw/zinc/64/64/81/501646481.db2.gz GYQMMYNROSVTCI-UHFFFAOYSA-N 2 0 351.494 3.145 20 0 FGADRP CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)[C@@H]1SC ZINC000459414129 501649447 /nfs/dbraw/zinc/64/94/47/501649447.db2.gz PSIUDLCGARVWTI-ZCNNSNEGSA-N 2 0 364.555 3.160 20 0 FGADRP FC(F)(F)c1ccc(OCC[NH2+]C2CCN(c3cc[nH+]cc3)CC2)nc1 ZINC000459444059 501655011 /nfs/dbraw/zinc/65/50/11/501655011.db2.gz QRKVVQIAJPMHCT-UHFFFAOYSA-N 2 0 366.387 3.133 20 0 FGADRP CCO[C@@H]1C[C@H]([NH2+]C2CCN(c3cc[nH+]cc3)CC2)[C@@H]1Oc1ccccc1 ZINC000459497258 501664178 /nfs/dbraw/zinc/66/41/78/501664178.db2.gz IYHZIJDXKHYKSM-BDTNDASRSA-N 2 0 367.493 3.265 20 0 FGADRP Fc1ccc(CCN2CCC([NH2+]Cc3ccc4c[nH+]cn4c3)CC2)cc1 ZINC000459659103 501694095 /nfs/dbraw/zinc/69/40/95/501694095.db2.gz LMKZZYIPPXNREY-UHFFFAOYSA-N 2 0 352.457 3.270 20 0 FGADRP C[NH+](C)CCCC(C)(C)NC(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000457443388 501699067 /nfs/dbraw/zinc/69/90/67/501699067.db2.gz NEVZSYBXNAGMQS-QGZVFWFLSA-N 2 0 364.534 3.226 20 0 FGADRP C[C@@H](Cc1cccc(C(F)(F)F)c1)[NH2+]CC1CC[NH+](CCN(C)C)CC1 ZINC000467332279 501771906 /nfs/dbraw/zinc/77/19/06/501771906.db2.gz GNAZQJNMBMQVCU-INIZCTEOSA-N 2 0 371.491 3.500 20 0 FGADRP COc1cc2c(cc1F)CC[C@H]2[NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000467337678 501773509 /nfs/dbraw/zinc/77/35/09/501773509.db2.gz FDEHTJVUUHBYCP-ZRGWGRIASA-N 2 0 350.478 3.301 20 0 FGADRP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+]C2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)C1 ZINC000467350366 501774289 /nfs/dbraw/zinc/77/42/89/501774289.db2.gz PMUAAVSZJGAFHL-GFOJFJKKSA-N 2 0 357.542 3.384 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@H]([C@H]3CCOC3)C2)[C@@H](C)C1 ZINC000467354152 501776011 /nfs/dbraw/zinc/77/60/11/501776011.db2.gz LXLPRQOALGCSGY-FCMAGTKHSA-N 2 0 352.563 3.308 20 0 FGADRP Cc1cccnc1[C@H]1CCC[C@@H]([NH2+][C@@H](CC(C)C)C(=O)NCC[NH+](C)C)C1 ZINC000467358786 501777009 /nfs/dbraw/zinc/77/70/09/501777009.db2.gz MCMJWSCTAMKHBC-ZCNNSNEGSA-N 2 0 374.573 3.098 20 0 FGADRP C[C@H]([NH2+]C(C)(C)CNC(=O)c1ccc2c(c1)CC[NH2+]CC2)c1ccccc1 ZINC000474294748 501779281 /nfs/dbraw/zinc/77/92/81/501779281.db2.gz AFGPODWEHIPVBK-KRWDZBQOSA-N 2 0 365.521 3.234 20 0 FGADRP CC(C)[C@H](CNC(=O)CC[C@@H]1CCCC[N@@H+]1C)[NH+]1CCc2ccccc2C1 ZINC000481498267 501792303 /nfs/dbraw/zinc/79/23/03/501792303.db2.gz RZTDBLXWRHUFNS-VXKWHMMOSA-N 2 0 371.569 3.450 20 0 FGADRP CCCN(CC[NH+]1CCCCC1)C(=O)NC1CC[NH+](CC(C)C)CC1 ZINC000477876220 501816520 /nfs/dbraw/zinc/81/65/20/501816520.db2.gz ITCKOUFAXVEZDC-UHFFFAOYSA-N 2 0 352.567 3.014 20 0 FGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]C[C@H]2CCO[C@@H]2c2ccccc2)[C@@H](C)C1 ZINC000477926188 501831367 /nfs/dbraw/zinc/83/13/67/501831367.db2.gz KNSFOGLUZZYYDY-BDKRGJGYSA-N 2 0 360.542 3.491 20 0 FGADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)N[C@H]1CCC[C@H]1c1ccccc1 ZINC000477946983 501836501 /nfs/dbraw/zinc/83/65/01/501836501.db2.gz VLBDWEYKRKAIDO-SFTDATJTSA-N 2 0 374.573 3.238 20 0 FGADRP CC(C)CNC(=O)[C@H](C)[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000485497690 501838596 /nfs/dbraw/zinc/83/85/96/501838596.db2.gz VWYHOGZPXSSTKF-IBGZPJMESA-N 2 0 357.542 3.135 20 0 FGADRP CC[NH+](CC)CC1CCN(C(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000478001107 501851008 /nfs/dbraw/zinc/85/10/08/501851008.db2.gz YEVYOXPYMBPCTQ-QFIPXVFZSA-N 2 0 371.569 3.479 20 0 FGADRP CCCC[N@H+](C)C[C@H](C)NC(=O)N[C@H](C)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000460652961 501886078 /nfs/dbraw/zinc/88/60/78/501886078.db2.gz XQDUFRQYZIHUKV-RCCFBDPRSA-N 2 0 352.567 3.059 20 0 FGADRP CC(C)C[C@H](CNC(=O)N[C@H]1CC[N@@H+](C2CC2)C1)[NH2+][C@@H](C)c1ccccc1 ZINC000468021597 501932781 /nfs/dbraw/zinc/93/27/81/501932781.db2.gz KHKSAFBAEVWUFS-YSIASYRMSA-N 2 0 372.557 3.288 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@H](C)c1cccc(Cl)c1 ZINC000460917058 501958843 /nfs/dbraw/zinc/95/88/43/501958843.db2.gz ZNNWGWHTAXLSJI-APWZRJJASA-N 2 0 365.949 3.318 20 0 FGADRP CCCC[N@H+](C)C[C@@H](C)NC(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000460952289 501968473 /nfs/dbraw/zinc/96/84/73/501968473.db2.gz PBFKSSHOQNRMLF-XEVCZEQESA-N 2 0 366.594 3.449 20 0 FGADRP CC(C)(CNC(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)C[NH+]1CCCC1 ZINC000478410420 501972362 /nfs/dbraw/zinc/97/23/62/501972362.db2.gz VKAZERFVTNZQDU-FQEVSTJZSA-N 2 0 372.557 3.072 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)NCC(C)(C)C[NH+]1CCCC1)c1ccco1 ZINC000478414618 501974370 /nfs/dbraw/zinc/97/43/70/501974370.db2.gz VKQMAFXVFYPFDC-KRWDZBQOSA-N 2 0 364.534 3.084 20 0 FGADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC000485891762 501978879 /nfs/dbraw/zinc/97/88/79/501978879.db2.gz BXTNBQCWYAZTTM-YLJYHZDGSA-N 2 0 351.494 3.314 20 0 FGADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]CCC(=O)Nc1cc(N)ccc1F ZINC000482152687 501991363 /nfs/dbraw/zinc/99/13/63/501991363.db2.gz ACTQMKZUAQOGOO-YJBOKZPZSA-N 2 0 364.509 3.227 20 0 FGADRP COC(=O)c1cccc(C[NH+]2CCC(CC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)c1 ZINC000482165634 501995457 /nfs/dbraw/zinc/99/54/57/501995457.db2.gz RPNVKONBCPJFAY-ROUUACIJSA-N 2 0 374.525 3.185 20 0 FGADRP Cc1ccc(NC(=O)CC[N@@H+]2CCc3ccccc3C2)c(C[NH+](C)C)c1 ZINC000471382731 502005905 /nfs/dbraw/zinc/00/59/05/502005905.db2.gz ROUZZDNUOHXSCH-UHFFFAOYSA-N 2 0 351.494 3.444 20 0 FGADRP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)CC[NH+]2CCc3ccccc3C2)C1 ZINC000471390048 502008764 /nfs/dbraw/zinc/00/87/64/502008764.db2.gz LUTPOJOGNHLMGQ-SFHVURJKSA-N 2 0 357.542 3.062 20 0 FGADRP CC(C)[NH+]1CCN(C2CC[NH+](CC[C@@H](C)OCc3ccccc3)CC2)CC1 ZINC000474979548 502010408 /nfs/dbraw/zinc/01/04/08/502010408.db2.gz TVNYFUOFEJSRFV-OAQYLSRUSA-N 2 0 373.585 3.472 20 0 FGADRP C[NH+](C)[C@@H](CNC(=O)C[NH2+][C@H](c1cccs1)C1CC1)c1ccccc1 ZINC000475132991 502072980 /nfs/dbraw/zinc/07/29/80/502072980.db2.gz VWAPEAYJEDWWNJ-PXNSSMCTSA-N 2 0 357.523 3.208 20 0 FGADRP COc1cccc2c1CC[C@@H]2[NH2+]CCc1ccc(OCC[NH+](C)C)cc1 ZINC000482542426 502106382 /nfs/dbraw/zinc/10/63/82/502106382.db2.gz IPVDMZCUABMFFP-NRFANRHFSA-N 2 0 354.494 3.455 20 0 FGADRP COc1ccc2oc([C@@H](C)[NH2+]CCCN3CCC[N@H+](C)CC3)c(C)c2c1 ZINC000482569482 502113847 /nfs/dbraw/zinc/11/38/47/502113847.db2.gz VUNZGAPMYZBXMR-QGZVFWFLSA-N 2 0 359.514 3.428 20 0 FGADRP CC[NH+](CC)CC1CCN(C(=O)c2ccc(Nc3cc[nH+]cc3)cc2)CC1 ZINC000468629562 502130354 /nfs/dbraw/zinc/13/03/54/502130354.db2.gz FJICCBWHMRDEGJ-UHFFFAOYSA-N 2 0 366.509 3.441 20 0 FGADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H]1CCCc2cc(Br)ccc21 ZINC000479058693 502150872 /nfs/dbraw/zinc/15/08/72/502150872.db2.gz JQXMOHKOIKMUNC-RDTXWAMCSA-N 2 0 366.347 3.052 20 0 FGADRP CCN(CCC[NH+](CC)CC)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000471845412 502152172 /nfs/dbraw/zinc/15/21/72/502152172.db2.gz OGAOZJCNKWEMOG-FQEVSTJZSA-N 2 0 360.546 3.024 20 0 FGADRP CC[NH+](CC)C[C@H]1CCCC[C@H]1NC(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000475377144 502153941 /nfs/dbraw/zinc/15/39/41/502153941.db2.gz ZUVJSASPPJSBKA-YNIZLOQISA-N 2 0 364.578 3.203 20 0 FGADRP C[C@H](C[NH+]1CCCCCC1)NC(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000482753873 502171095 /nfs/dbraw/zinc/17/10/95/502171095.db2.gz NLKUFMWQYLCZPV-LJQANCHMSA-N 2 0 372.557 3.346 20 0 FGADRP CC[NH+](CC)CC1CCN(C(=O)N[C@H](C)C[N@H+](C)Cc2ccccc2)CC1 ZINC000461719739 502178065 /nfs/dbraw/zinc/17/80/65/502178065.db2.gz CSCFPJFWSAZVJN-LJQANCHMSA-N 2 0 374.573 3.270 20 0 FGADRP C[C@H](CSc1nnc(CN2CCCCC2)n1-c1ccccc1)[NH+](C)C ZINC000479204559 502191417 /nfs/dbraw/zinc/19/14/17/502191417.db2.gz BSUVWFQTIRBJQD-MRXNPFEDSA-N 2 0 359.543 3.295 20 0 FGADRP CC(C)[C@@H](CNC(=O)N1CC[C@H]([NH+]2CCCC2)[C@@H]1C)[NH+]1CCC(C)CC1 ZINC000479269535 502210988 /nfs/dbraw/zinc/21/09/88/502210988.db2.gz CHNVIXYYSVUCMF-SLFFLAALSA-N 2 0 364.578 3.011 20 0 FGADRP CCC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(OCC[NH+]2CC[C@H](C)C2)cc1 ZINC000465196955 502212016 /nfs/dbraw/zinc/21/20/16/502212016.db2.gz QEMPJXXVJBGQOZ-PXNSSMCTSA-N 2 0 359.514 3.220 20 0 FGADRP CC[C@H](C)[NH2+][C@H](CNC(=O)NC[C@@H](C)[N@@H+]1CCCC[C@H]1C)c1ccco1 ZINC000479280018 502213550 /nfs/dbraw/zinc/21/35/50/502213550.db2.gz JBOCCYWFTXSYID-BSDSXHPESA-N 2 0 364.534 3.271 20 0 FGADRP CC[NH+](CC)CCOc1ccc(C[NH2+][C@@H]2CCCc3nn(C)cc32)cc1 ZINC000479335515 502228525 /nfs/dbraw/zinc/22/85/25/502228525.db2.gz MDPZQLVQUXNMRP-HXUWFJFHSA-N 2 0 356.514 3.308 20 0 FGADRP C[C@H](NC(=O)NC[C@@H](c1ccsc1)[NH+](C)C)[C@@H](c1ccccc1)[NH+](C)C ZINC000479356380 502234122 /nfs/dbraw/zinc/23/41/22/502234122.db2.gz XMLGCXJEDOWCSJ-SNRMKQJTSA-N 2 0 374.554 3.341 20 0 FGADRP O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC000482982201 502235837 /nfs/dbraw/zinc/23/58/37/502235837.db2.gz PVKQYPWKXNDLPI-VQTJNVASSA-N 2 0 355.526 3.032 20 0 FGADRP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)CCCCN2C(=O)c3ccccc3C2=O)C1 ZINC000472139916 502245568 /nfs/dbraw/zinc/24/55/68/502245568.db2.gz IYJNOHFNAIKUMG-MSOLQXFVSA-N 2 0 371.525 3.163 20 0 FGADRP COc1ccsc1[C@H](C)[NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000472142799 502247222 /nfs/dbraw/zinc/24/72/22/502247222.db2.gz SVUWPVZSWAIFGZ-INIZCTEOSA-N 2 0 360.527 3.015 20 0 FGADRP CCCN(CC[NH+](CC)CC)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000461946412 502247619 /nfs/dbraw/zinc/24/76/19/502247619.db2.gz GSGLERPFHKTQBF-UXHICEINSA-N 2 0 360.546 3.195 20 0 FGADRP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000483053356 502257573 /nfs/dbraw/zinc/25/75/73/502257573.db2.gz HCKLFXPZOXFVLJ-HXUWFJFHSA-N 2 0 357.542 3.089 20 0 FGADRP CC[C@@H]1C[N@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)CC[C@@H]1c1ccccc1 ZINC000472232998 502279649 /nfs/dbraw/zinc/27/96/49/502279649.db2.gz WCXORWOSEUPGCQ-GCJKJVERSA-N 2 0 369.553 3.245 20 0 FGADRP COc1c[nH+]ccc1N1CC[NH+](CC[C@H](C)OCc2ccccc2)CC1 ZINC000483195020 502310523 /nfs/dbraw/zinc/31/05/23/502310523.db2.gz ASQFBCVCXCZNIZ-SFHVURJKSA-N 2 0 355.482 3.208 20 0 FGADRP CC(C)c1cc(NC[C@H](c2ccco2)[NH+]2CCCCC2)nc(N(C)C)[nH+]1 ZINC000462110259 502310699 /nfs/dbraw/zinc/31/06/99/502310699.db2.gz DAVODPFPCIKRGS-QGZVFWFLSA-N 2 0 357.502 3.320 20 0 FGADRP CC[NH+]1CCC(N[C@H](C)c2cc(F)ccc2N2CC[NH+](CC)CC2)CC1 ZINC000462116549 502312794 /nfs/dbraw/zinc/31/27/94/502312794.db2.gz OOMJMNPCYGSBNA-QGZVFWFLSA-N 2 0 362.537 3.103 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)NCc1ccccc1C[NH+]1CCCC[C@H]1C ZINC000465581313 502314998 /nfs/dbraw/zinc/31/49/98/502314998.db2.gz YFZFBTOHVJIPRC-WIYYLYMNSA-N 2 0 372.557 3.345 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)N(C)CC[C@H]1CCCC[N@@H+]1C)CC(C)C ZINC000465581043 502315556 /nfs/dbraw/zinc/31/55/56/502315556.db2.gz XKIXPHIIOMIBLT-RTBURBONSA-N 2 0 354.583 3.259 20 0 FGADRP CC1CC[NH+](CCCCNC(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)CC1 ZINC000465614075 502325391 /nfs/dbraw/zinc/32/53/91/502325391.db2.gz YGNCYGJNVJYBSN-HXUWFJFHSA-N 2 0 364.578 3.062 20 0 FGADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)NCc2ccccc2C[NH+](CC)CC)C1 ZINC000465621207 502328363 /nfs/dbraw/zinc/32/83/63/502328363.db2.gz XXHDARMTYHCWON-LJQANCHMSA-N 2 0 374.573 3.402 20 0 FGADRP CC[C@@H]1CCCC[C@H]1NC(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@@H+]1CC ZINC000465669269 502341302 /nfs/dbraw/zinc/34/13/02/502341302.db2.gz WJUSKEUDBXWUAU-GUDVDZBRSA-N 2 0 352.567 3.013 20 0 FGADRP CC[NH+](CC)Cc1ccc(CNC(=O)N2CC[N@H+](C)[C@H](C(C)C)C2)cc1 ZINC000487082197 502351767 /nfs/dbraw/zinc/35/17/67/502351767.db2.gz FWZZOMWXFLKHFG-FQEVSTJZSA-N 2 0 360.546 3.010 20 0 FGADRP CC(C)[N@@H+]1[C@@H]2CC[C@H]1CN(C(=O)N[C@@H](C)C[NH+]1C[C@H](C)C[C@@H](C)C1)CC2 ZINC000465743217 502366446 /nfs/dbraw/zinc/36/64/46/502366446.db2.gz PMCYLVWTIVQEAW-OBKDMQGPSA-N 2 0 364.578 3.010 20 0 FGADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@@H]2CC[NH+]([C@H](C)c3ccccc3)C2)C1 ZINC000465746201 502367686 /nfs/dbraw/zinc/36/76/86/502367686.db2.gz DWZNMIWRMUSDBZ-SVFBPWRDSA-N 2 0 372.557 3.195 20 0 FGADRP C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000479789588 502378549 /nfs/dbraw/zinc/37/85/49/502378549.db2.gz RZBJGXLVMQVWLB-NRSPTQNISA-N 2 0 370.541 3.092 20 0 FGADRP CCC[N@H+](CCCN1CC[NH+](C(C)C)CC1)[C@H]1C[C@H](OCC)C1(C)C ZINC000472600099 502397952 /nfs/dbraw/zinc/39/79/52/502397952.db2.gz XKQWHIVLAIFJEV-PMACEKPBSA-N 2 0 353.595 3.318 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)C[C@@H]1C ZINC000483494478 502411026 /nfs/dbraw/zinc/41/10/26/502411026.db2.gz ADIPZMYLHQZARA-SESVDKBCSA-N 2 0 372.557 3.338 20 0 FGADRP CC[N@@H+]1CCC[C@@H](CNC(=O)N[C@H](C[NH+](C)Cc2ccccc2)C(C)C)C1 ZINC000469427053 502412482 /nfs/dbraw/zinc/41/24/82/502412482.db2.gz XKSHAYDOQGFURA-LEWJYISDSA-N 2 0 374.573 3.174 20 0 FGADRP CCC(C)(C)NC(=O)CN1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000483511978 502416258 /nfs/dbraw/zinc/41/62/58/502416258.db2.gz KOCFQNOAXIPPGU-WOJBJXKFSA-N 2 0 357.542 3.278 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)NCc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000465942618 502435328 /nfs/dbraw/zinc/43/53/28/502435328.db2.gz NJURYCNPTLGFBB-OAQYLSRUSA-N 2 0 372.557 3.202 20 0 FGADRP CC[NH+](CC)CCN(Cc1cccs1)C(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000466038653 502462597 /nfs/dbraw/zinc/46/25/97/502462597.db2.gz KVUDQYVHOOWDSX-DLBZAZTESA-N 2 0 366.575 3.084 20 0 FGADRP C(=C/c1ccncc1)\C[NH2+]CCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000487532818 502471529 /nfs/dbraw/zinc/47/15/29/502471529.db2.gz DBCPLOXLUIOTEQ-ONEGZZNKSA-N 2 0 351.494 3.402 20 0 FGADRP CCC[NH+]1CCC(NC(=O)N2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)CC1 ZINC000466097769 502477582 /nfs/dbraw/zinc/47/75/82/502477582.db2.gz FZABBXCGIADOFO-RTBURBONSA-N 2 0 364.578 3.157 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NCC(C)(C)[NH+]2CCC[C@@H](C)C2)C[C@@H]1C ZINC000483753184 502483994 /nfs/dbraw/zinc/48/39/94/502483994.db2.gz YOAQIMOWQNDKTJ-SQNIBIBYSA-N 2 0 352.567 3.011 20 0 FGADRP COc1cc2c(cc1F)[nH+]ccc2N1C[C@@H]([NH+]2CCCC2)[C@@H](SC)C1 ZINC000480172268 502490793 /nfs/dbraw/zinc/49/07/93/502490793.db2.gz SGNDRVFRPSOYHE-MJGOQNOKSA-N 2 0 361.486 3.399 20 0 FGADRP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCCC[NH+]2CCCCC2)C1 ZINC000476456408 502493345 /nfs/dbraw/zinc/49/33/45/502493345.db2.gz DCWOPRMOOYTESA-SFHVURJKSA-N 2 0 352.567 3.062 20 0 FGADRP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000483797782 502495433 /nfs/dbraw/zinc/49/54/33/502495433.db2.gz HBJHMYWYGFAXKN-FQEVSTJZSA-N 2 0 364.578 3.347 20 0 FGADRP C[C@@H](CCNC(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C)[NH+](C)Cc1ccccc1 ZINC000473007254 502497583 /nfs/dbraw/zinc/49/75/83/502497583.db2.gz GIUQVJKCZCRUPG-FPOVZHCZSA-N 2 0 374.573 3.413 20 0 FGADRP C[C@H](CCNC(=O)N1CC[C@H]([NH+]2CCCCC2)C1)[N@H+](C)Cc1ccccc1 ZINC000473008195 502498522 /nfs/dbraw/zinc/49/85/22/502498522.db2.gz ILWVBCWLLWXCEE-CTNGQTDRSA-N 2 0 372.557 3.167 20 0 FGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(Cn3cccn3)cc2)[C@@H](C)C1 ZINC000480263889 502517107 /nfs/dbraw/zinc/51/71/07/502517107.db2.gz ZKKQAIVRQUVSEQ-SIKLNZKXSA-N 2 0 370.541 3.158 20 0 FGADRP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]CCC(=O)N1CCCCC1 ZINC000469757312 502533551 /nfs/dbraw/zinc/53/35/51/502533551.db2.gz LXOUHVRBSQRTTK-RTBURBONSA-N 2 0 357.542 3.135 20 0 FGADRP CC[NH+](CC)CC1CCN(C(=O)NC2CC[NH+](C3CCCC3)CC2)CC1 ZINC000483990113 502542799 /nfs/dbraw/zinc/54/27/99/502542799.db2.gz WILSYSDISOVORO-UHFFFAOYSA-N 2 0 364.578 3.157 20 0 FGADRP O=C(NC1CC[NH+](C2CCCC2)CC1)N1CCC([NH+]2CCCCC2)CC1 ZINC000483993948 502544210 /nfs/dbraw/zinc/54/42/10/502544210.db2.gz LIXACZGXTHKFIF-UHFFFAOYSA-N 2 0 362.562 3.053 20 0 FGADRP CCOCCOc1ccc(Br)cc1C[NH+]1CCC(C[NH3+])CC1 ZINC000469832720 502561503 /nfs/dbraw/zinc/56/15/03/502561503.db2.gz XXONFJYMQZMLLI-UHFFFAOYSA-N 2 0 371.319 3.035 20 0 FGADRP CCC[NH+]1CCC(NC(=O)NC[C@@H](C2CC2)[N@H+](C)Cc2ccccc2)CC1 ZINC000476698634 502567509 /nfs/dbraw/zinc/56/75/09/502567509.db2.gz GAGAWAXOROSPHA-NRFANRHFSA-N 2 0 372.557 3.071 20 0 FGADRP Cc1cc(Cl)cc(C)c1C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000469865751 502575260 /nfs/dbraw/zinc/57/52/60/502575260.db2.gz YZCIZYNBHKKHID-LPHOPBHVSA-N 2 0 363.933 3.037 20 0 FGADRP CCCOc1c(Br)cc(CN2CC[C@@H]([C@@H](C)[NH3+])C2)cc1OC ZINC000469867346 502576211 /nfs/dbraw/zinc/57/62/11/502576211.db2.gz VIPYXAJZNWYMTQ-TZMCWYRMSA-N 2 0 371.319 3.416 20 0 FGADRP C[C@H](CC(C)(C)c1c[nH]c2ccccc21)[NH2+]C[C@H](C)N1CC[NH+](C)CC1 ZINC000462802706 502581278 /nfs/dbraw/zinc/58/12/78/502581278.db2.gz MKDYHEWJTPCUKJ-MSOLQXFVSA-N 2 0 356.558 3.450 20 0 FGADRP C[C@@H]([NH2+]CC1CC[NH+](CCO)CC1)c1csc(-c2ccccc2F)n1 ZINC000462812618 502583723 /nfs/dbraw/zinc/58/37/23/502583723.db2.gz IEHWOEBHDJRIJK-CQSZACIVSA-N 2 0 363.502 3.304 20 0 FGADRP COCC[N@@H+]1CCN(c2cc(C)[nH+]c3ccc(OC(F)F)cc32)C[C@H]1C ZINC000462824992 502588407 /nfs/dbraw/zinc/58/84/07/502588407.db2.gz FMBNOSUDZPRUTG-CQSZACIVSA-N 2 0 365.424 3.302 20 0 FGADRP CN1CCC([NH+]2CCC(CC[N@H+](C)CCc3ccccc3F)CC2)CC1 ZINC000469949407 502606931 /nfs/dbraw/zinc/60/69/31/502606931.db2.gz BQVDUZXZOKGPAE-UHFFFAOYSA-N 2 0 361.549 3.496 20 0 FGADRP O[C@@H]1CC[N@H+](Cc2cccc(NC3CC[NH+](Cc4ccccc4)CC3)c2)C1 ZINC000462876224 502609316 /nfs/dbraw/zinc/60/93/16/502609316.db2.gz VROQZNWQIIHCFH-HSZRJFAPSA-N 2 0 365.521 3.330 20 0 FGADRP C[NH+]1CCN(Cc2ccc(C[NH2+][C@H]3CCCc4ccc(O)cc43)cc2)CC1 ZINC000462884354 502613207 /nfs/dbraw/zinc/61/32/07/502613207.db2.gz PKFCQLGMXPZSCG-QHCPKHFHSA-N 2 0 365.521 3.307 20 0 FGADRP CC[C@H](C)[NH2+][C@@H](CNC(=O)NC[C@H](C)C[NH+]1CCCCC1)c1ccco1 ZINC000484290289 502616150 /nfs/dbraw/zinc/61/61/50/502616150.db2.gz BZMSKMBEVUMGMB-BZSNNMDCSA-N 2 0 364.534 3.130 20 0 FGADRP CCNC(=O)c1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000480600047 502617311 /nfs/dbraw/zinc/61/73/11/502617311.db2.gz HJBAYSZDQMAIQN-XMSQKQJNSA-N 2 0 365.521 3.437 20 0 FGADRP C[C@H](C(=O)N1CCC[C@@H]([NH+](C)C)CC1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000470014051 502630014 /nfs/dbraw/zinc/63/00/14/502630014.db2.gz UMSPJJQRMQJEED-DENIHFKCSA-N 2 0 371.569 3.272 20 0 FGADRP C[C@H]([NH3+])C1CC[NH+](Cc2cnn(-c3ccc(Br)cc3)c2)CC1 ZINC000470019527 502632381 /nfs/dbraw/zinc/63/23/81/502632381.db2.gz GEKQGYCWUYWYRI-ZDUSSCGKSA-N 2 0 363.303 3.194 20 0 FGADRP O=C([C@H]1CCC[N@H+](Cc2cc(-c3ccccc3)cs2)C1)N1CC[NH2+]CC1 ZINC000470021039 502632792 /nfs/dbraw/zinc/63/27/92/502632792.db2.gz PDXZUYVNENAGAH-SFHVURJKSA-N 2 0 369.534 3.059 20 0 FGADRP CC[NH+]1CCN(Cc2ccccc2C[NH2+]CC2(OC)CCCCC2)CC1 ZINC000480658026 502634892 /nfs/dbraw/zinc/63/48/92/502634892.db2.gz JJQCTJUHGYPJDX-UHFFFAOYSA-N 2 0 359.558 3.263 20 0 FGADRP C[C@@H]([NH2+]CCC[N@H+]1C[C@H](C)C[C@H](C)C1)[C@@H](c1ccccc1)N1CCOCC1 ZINC000480677187 502639448 /nfs/dbraw/zinc/63/94/48/502639448.db2.gz PDAWTBPQJXECQY-SRUXOGRHSA-N 2 0 373.585 3.406 20 0 FGADRP C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000476992050 502644715 /nfs/dbraw/zinc/64/47/15/502644715.db2.gz QWKOAHKCICCUPK-RXVVDRJESA-N 2 0 370.541 3.051 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H](NC[C@H](C(C)C)[NH+]2CCC(C)CC2)[C@@H](C)C1 ZINC000480763952 502664654 /nfs/dbraw/zinc/66/46/54/502664654.db2.gz WZFVMFBBQASBDO-FDFHNCONSA-N 2 0 367.622 3.470 20 0 FGADRP C[C@H]([NH2+]CCCC[NH+]1CCN(CCO)CC1)c1ccc(C(C)(C)C)cc1 ZINC000488240771 502667493 /nfs/dbraw/zinc/66/74/93/502667493.db2.gz IBKJQYIJBWOWFV-IBGZPJMESA-N 2 0 361.574 3.025 20 0 FGADRP OC[C@@H](C[NH2+]C1CC[NH+](CCc2ccccc2)CC1)Cc1ccccc1 ZINC000463077128 502686077 /nfs/dbraw/zinc/68/60/77/502686077.db2.gz FYMBLIQVYWOHTF-JOCHJYFZSA-N 2 0 352.522 3.134 20 0 FGADRP CC[NH+](CC)CC1CC[NH+](CC(=O)N(Cc2ccc(C)o2)C2CC2)CC1 ZINC000488364911 502694995 /nfs/dbraw/zinc/69/49/95/502694995.db2.gz XCZYALRRFUACPP-UHFFFAOYSA-N 2 0 361.530 3.133 20 0 FGADRP CC[C@@H](CNC(=O)CC[C@H]1CCCC[N@@H+]1C)[NH+]1CCc2ccccc2C1 ZINC000480920722 502705805 /nfs/dbraw/zinc/70/58/05/502705805.db2.gz KHXCHEYTWZDMRQ-LEWJYISDSA-N 2 0 357.542 3.204 20 0 FGADRP C[C@@H](C(=O)Nc1cccc(C(F)(F)F)c1)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000480933733 502708791 /nfs/dbraw/zinc/70/87/91/502708791.db2.gz APABUQMCIOJSDP-ZDUSSCGKSA-N 2 0 357.420 3.306 20 0 FGADRP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC[C@H]2CCC[NH+](C(C)C)C2)C1 ZINC000477225710 502712709 /nfs/dbraw/zinc/71/27/09/502712709.db2.gz WJZOGPNQIKCAGF-RBUKOAKNSA-N 2 0 366.594 3.307 20 0 FGADRP CC(C)[C@@H]1C[C@H]([NH2+]CCCN2CC[N@H+](C)C[C@@H]2c2ccccc2)CS1 ZINC000488440116 502714506 /nfs/dbraw/zinc/71/45/06/502714506.db2.gz IXDLBXGNEUYMBR-HBMCJLEFSA-N 2 0 361.599 3.485 20 0 FGADRP C[C@H](CNC(=O)N[C@H](C)[C@@H](c1ccccc1)[NH+](C)C)[NH+]1CCC(C)CC1 ZINC000488444864 502716705 /nfs/dbraw/zinc/71/67/05/502716705.db2.gz XEGOLSZLTQNSKC-GGPKGHCWSA-N 2 0 360.546 3.097 20 0 FGADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCC[NH+](C(C)C)CC2)C1 ZINC000477248668 502718768 /nfs/dbraw/zinc/71/87/68/502718768.db2.gz LPKURXWMJCLPFB-GOSISDBHSA-N 2 0 352.567 3.013 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC000488487332 502729379 /nfs/dbraw/zinc/72/93/79/502729379.db2.gz ZIWRNIRDTCLWPM-XMSQKQJNSA-N 2 0 365.521 3.389 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H](NC[C@]2([NH+](C)C)CCC[C@@H](C)C2)[C@@H](C)C1 ZINC000481039582 502737878 /nfs/dbraw/zinc/73/78/78/502737878.db2.gz RRHVKWRBSZKEAU-ANULTFPQSA-N 2 0 353.595 3.224 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000481039588 502738309 /nfs/dbraw/zinc/73/83/09/502738309.db2.gz RRWNIUDXHLALSB-KDURUIRLSA-N 2 0 358.574 3.392 20 0 FGADRP C[NH+](C)CC1CC[NH+]([C@@H](C(=O)NCc2ccccc2)c2ccccc2)CC1 ZINC000481057604 502742945 /nfs/dbraw/zinc/74/29/45/502742945.db2.gz NGMCTDVUTUFKQV-JOCHJYFZSA-N 2 0 365.521 3.318 20 0 FGADRP O=C(Nc1cccc(C[NH+]2CCSCC2)c1)c1ccc2c(c1)C[NH2+]C2 ZINC000470352029 502746472 /nfs/dbraw/zinc/74/64/72/502746472.db2.gz DFNWOJDMMGEDIM-UHFFFAOYSA-N 2 0 353.491 3.091 20 0 FGADRP C[C@H](C(=O)N(C)Cc1c(F)cccc1Cl)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000481068767 502746653 /nfs/dbraw/zinc/74/66/53/502746653.db2.gz DCUPFEYXNDOBRX-CQSZACIVSA-N 2 0 369.912 3.100 20 0 FGADRP C[C@@H](C(=O)N(C)Cc1c(F)cccc1Cl)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000481068766 502746722 /nfs/dbraw/zinc/74/67/22/502746722.db2.gz DCUPFEYXNDOBRX-AWEZNQCLSA-N 2 0 369.912 3.100 20 0 FGADRP CCN(C(=O)NC[C@H](C)[NH+](C)C1CC1)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000473957591 502761828 /nfs/dbraw/zinc/76/18/28/502761828.db2.gz HOHHGFXCXFXHQB-UEXGIBASSA-N 2 0 372.557 3.336 20 0 FGADRP C[C@@H]([NH2+][C@H]1CC[C@@H](C)C[C@@H]1C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000481164820 502770765 /nfs/dbraw/zinc/77/07/65/502770765.db2.gz HYKXDIDUCZOMJZ-SQAAOVBZSA-N 2 0 357.542 3.180 20 0 FGADRP Cc1ccccc1C[NH+]1CCC(NC(=O)C[NH2+][C@@H]2CCC[C@H](C)[C@H]2C)CC1 ZINC000481185999 502777150 /nfs/dbraw/zinc/77/71/50/502777150.db2.gz HCYZZDJVXRPCJF-LRXVAGHRSA-N 2 0 371.569 3.490 20 0 FGADRP CCN(C(=O)NCC[NH+](CC)C1CC1)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000474019712 502781643 /nfs/dbraw/zinc/78/16/43/502781643.db2.gz XASHFDDACFODDB-GHTZIAJQSA-N 2 0 372.557 3.338 20 0 FGADRP CC(C)[NH+](CCCNC(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1)C(C)C ZINC000470476546 502789007 /nfs/dbraw/zinc/78/90/07/502789007.db2.gz ZITWOOWEEKXJNK-OAQYLSRUSA-N 2 0 374.573 3.459 20 0 FGADRP CC(C)[NH+](CCCNC(=O)N1CC[NH+](CCC(C)(C)C)CC1)C(C)C ZINC000470474851 502789366 /nfs/dbraw/zinc/78/93/66/502789366.db2.gz RWXGPKRKNXSRRX-UHFFFAOYSA-N 2 0 354.583 3.259 20 0 FGADRP C[NH+]1CCN(Cc2ccc(C[NH2+][C@@H]3CCCC[C@H]3[C@@H]3CCOC3)cc2)CC1 ZINC000474049479 502790128 /nfs/dbraw/zinc/79/01/28/502790128.db2.gz YXYPEWLMUIWVMJ-XPWALMASSA-N 2 0 371.569 3.119 20 0 FGADRP Cc1ccc([C@@H](CNC(=O)NCCC[NH+](C(C)C)C(C)C)[NH+](C)C)cc1 ZINC000470480272 502790380 /nfs/dbraw/zinc/79/03/80/502790380.db2.gz RAHDWPPVBWLRSO-HXUWFJFHSA-N 2 0 362.562 3.406 20 0 FGADRP COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+]C[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000474058133 502793848 /nfs/dbraw/zinc/79/38/48/502793848.db2.gz XWHNJKCKLPHGFK-LEWJYISDSA-N 2 0 359.558 3.279 20 0 FGADRP COC(=O)c1ccc(-c2nc(C[N@@H+]3CCC4(C3)CC[NH+](C)CC4)co2)cc1 ZINC000602878361 506334972 /nfs/dbraw/zinc/33/49/72/506334972.db2.gz QJYWMKLFFROWTO-UHFFFAOYSA-N 2 0 369.465 3.046 20 0 FGADRP C[NH+](C)[C@H](CNC(=O)C[NH2+][C@H]1CCCCC12CCCC2)c1ccccc1 ZINC000463444985 502808185 /nfs/dbraw/zinc/80/81/85/502808185.db2.gz OWHXBEWJMSQRGH-UXHICEINSA-N 2 0 357.542 3.498 20 0 FGADRP CC[C@H](OCC[N@@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1)c1ccccc1 ZINC000593013717 506336131 /nfs/dbraw/zinc/33/61/31/506336131.db2.gz SUWMVKMSUSFMNI-YADHBBJMSA-N 2 0 359.558 3.255 20 0 FGADRP C[C@@H]1C[C@H]([NH2+]CCNC(=O)CC2CCCC2)CCN1Cc1ccccc1 ZINC000513040049 502836021 /nfs/dbraw/zinc/83/60/21/502836021.db2.gz DVBIMAGKALKTBM-WIYYLYMNSA-N 2 0 357.542 3.326 20 0 FGADRP CCC[N@H+](CC)Cc1ccc(C(=O)N2C[C@H](SC)[C@@H]([NH+](C)C)C2)cc1 ZINC000495696489 502858367 /nfs/dbraw/zinc/85/83/67/502858367.db2.gz LOLVUNWWEKWYDI-OALUTQOASA-N 2 0 363.571 3.036 20 0 FGADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000500784935 502863355 /nfs/dbraw/zinc/86/33/55/502863355.db2.gz FFKKWSKSQXKDCR-HXUWFJFHSA-N 2 0 366.594 3.404 20 0 FGADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000500855362 502878951 /nfs/dbraw/zinc/87/89/51/502878951.db2.gz AIJDZONHRATYMO-OAQYLSRUSA-N 2 0 372.557 3.346 20 0 FGADRP CC[NH+](CC)CCNC(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000501033410 502917103 /nfs/dbraw/zinc/91/71/03/502917103.db2.gz DAOKEVTUJLYDDU-GOSISDBHSA-N 2 0 366.937 3.118 20 0 FGADRP C[N@H+](CC[S@](=O)c1ccccc1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501048782 502922488 /nfs/dbraw/zinc/92/24/88/502922488.db2.gz XMUVFYKQUUSJPK-VWLOTQADSA-N 2 0 357.523 3.038 20 0 FGADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)NC[C@@H](C1CCCCC1)[NH+](C)C ZINC000501069425 502927169 /nfs/dbraw/zinc/92/71/69/502927169.db2.gz PJNCQKFATKEVCZ-MOPGFXCFSA-N 2 0 352.567 3.061 20 0 FGADRP CC[NH+]1CCN(c2cccc(NC(=O)CC[C@H]3CCCC[N@@H+]3C)c2)CC1 ZINC000505545646 502931981 /nfs/dbraw/zinc/93/19/81/502931981.db2.gz VXSCMCCUHIFHKH-LJQANCHMSA-N 2 0 358.530 3.032 20 0 FGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]C[C@@H]2CCO[C@H]2c2ccccc2)[C@@H](C)C1 ZINC000497387553 502945671 /nfs/dbraw/zinc/94/56/71/502945671.db2.gz KNSFOGLUZZYYDY-UVUJQTEASA-N 2 0 360.542 3.491 20 0 FGADRP COc1ccc(C(=O)CC[NH+]2CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)cc1 ZINC000509666184 502962834 /nfs/dbraw/zinc/96/28/34/502962834.db2.gz MWGCCFUTDZQRLU-QZTJIDSGSA-N 2 0 374.525 3.089 20 0 FGADRP C[C@@H]1C[C@H](CC[NH2+]Cc2cccc(C(N)=O)c2)C[N@@H+]1Cc1ccccc1 ZINC000513544627 502963488 /nfs/dbraw/zinc/96/34/88/502963488.db2.gz KNMGKBPJEDGSEU-XLIONFOSSA-N 2 0 351.494 3.176 20 0 FGADRP c1ccc(N2CC[NH+](CCCN3CC[C@@H](C[NH+]4CCCCC4)C3)CC2)cc1 ZINC000509699675 502971150 /nfs/dbraw/zinc/97/11/50/502971150.db2.gz RTPGPSFVUQBMLY-QFIPXVFZSA-N 2 0 370.585 3.007 20 0 FGADRP C[N@@H+]1CCCN(CCC[NH2+][C@H]2CCCOc3cc4c(cc32)CCCC4)CC1 ZINC000489522681 502978219 /nfs/dbraw/zinc/97/82/19/502978219.db2.gz GGUKAUPHZNNHDL-QFIPXVFZSA-N 2 0 371.569 3.396 20 0 FGADRP C[NH+](C)CC[C@H](NC(=O)N[C@@H](C[NH+](C)C)c1ccc(F)cc1)C(C)(C)C ZINC000497549534 502985237 /nfs/dbraw/zinc/98/52/37/502985237.db2.gz AOYPZRNEWBORKA-ROUUACIJSA-N 2 0 366.525 3.094 20 0 FGADRP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000497564839 502989433 /nfs/dbraw/zinc/98/94/33/502989433.db2.gz SPPVRPQLTQQWTD-QZTJIDSGSA-N 2 0 364.578 3.203 20 0 FGADRP CCCc1cc(C(=O)N(CC[NH+](C)C)C[C@H]2CCC[N@@H+]2CC)sc1C ZINC000505822914 502993637 /nfs/dbraw/zinc/99/36/37/502993637.db2.gz DMIWJFKHYPIYQJ-GOSISDBHSA-N 2 0 365.587 3.497 20 0 FGADRP CC(C)C(=O)NCC[NH2+][C@@H]1CCCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000513679233 502998897 /nfs/dbraw/zinc/99/88/97/502998897.db2.gz VRTYUPDKLSKVJK-PCCBWWKXSA-N 2 0 357.542 3.039 20 0 FGADRP C[N@@H+]1CC[C@H]([NH2+]CCCC[NH+]2CCN(c3ccccc3)CC2)[C@@H]2CCC[C@@H]21 ZINC000513713835 503007105 /nfs/dbraw/zinc/00/71/05/503007105.db2.gz UQWDBYJZEPUOGU-VABKMULXSA-N 3 0 370.585 3.051 20 0 FGADRP C[N@@H+]1CC[C@H]([NH2+]CCCC[NH+]2CCN(c3ccccc3)CC2)[C@H]2CCC[C@H]21 ZINC000513713837 503007626 /nfs/dbraw/zinc/00/76/26/503007626.db2.gz UQWDBYJZEPUOGU-XPWALMASSA-N 3 0 370.585 3.051 20 0 FGADRP CSc1ccccc1[C@@H](C)[NH2+]CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000501491913 503019005 /nfs/dbraw/zinc/01/90/05/503019005.db2.gz PFPRFGIBAKOIPV-VQIMIIECSA-N 2 0 371.550 3.478 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)NC[C@@H](c2ccsc2)[NH+](C)C)C1 ZINC000501494161 503020061 /nfs/dbraw/zinc/02/00/61/503020061.db2.gz FUDRNCQQXDTVLB-JZXOWHBKSA-N 2 0 366.575 3.018 20 0 FGADRP C[NH+](C)[C@H](CNC(=O)NCCC[N@H+](C)C1CCCCC1)c1ccsc1 ZINC000501495609 503021805 /nfs/dbraw/zinc/02/18/05/503021805.db2.gz PGWRDVOKZZYBLL-GOSISDBHSA-N 2 0 366.575 3.305 20 0 FGADRP C[C@H]1CCC[N@H+](CCCCNC(=O)NC[C@@H](c2ccsc2)[NH+](C)C)C1 ZINC000501504650 503023383 /nfs/dbraw/zinc/02/33/83/503023383.db2.gz RYPMLHLEPKZBOC-WMZOPIPTSA-N 2 0 366.575 3.162 20 0 FGADRP C[C@@H](CNC(=O)NCC1([NH+](C)C)CCCCCC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000501518346 503027842 /nfs/dbraw/zinc/02/78/42/503027842.db2.gz SAESUNJCNWCAQK-MSOLQXFVSA-N 2 0 352.567 3.061 20 0 FGADRP CC[NH+](CC)Cc1ccccc1CNC(=O)NCC[N@@H+]1CCC[C@@H](C)C1 ZINC000501550990 503035870 /nfs/dbraw/zinc/03/58/70/503035870.db2.gz MEBHAPUNWUHKNE-GOSISDBHSA-N 2 0 360.546 3.060 20 0 FGADRP CCC1(CNC(=O)NC[C@H]2CCC[N@@H+]2C)CC[NH+](Cc2ccccc2)CC1 ZINC000514016408 503069798 /nfs/dbraw/zinc/06/97/98/503069798.db2.gz WDAAMOOXWWSMHI-HXUWFJFHSA-N 2 0 372.557 3.072 20 0 FGADRP CC[NH+](CC)CCOc1ccccc1C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000514098157 503086897 /nfs/dbraw/zinc/08/68/97/503086897.db2.gz DRQKDGOYCSJGIU-NJYVYQBISA-N 3 0 359.558 3.370 20 0 FGADRP C[C@H](CNC(=O)NCC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)[NH+](C)C1CC1 ZINC000510305150 503089010 /nfs/dbraw/zinc/08/90/10/503089010.db2.gz DLIIYFNOJJFHCG-QWFCFKBJSA-N 2 0 372.557 3.069 20 0 FGADRP COc1cccc([C@@H](CNC(=O)[C@@H](C)[NH+]2CCCCCC2)[NH+]2CCCC2)c1 ZINC000510328569 503093335 /nfs/dbraw/zinc/09/33/35/503093335.db2.gz CKHCCGMSQQQKTQ-WIYYLYMNSA-N 2 0 373.541 3.213 20 0 FGADRP COC[C@@H](c1ccc(Cl)cc1)[N@H+](C)CCCN1CC[NH+](C(C)C)CC1 ZINC000501876495 503099550 /nfs/dbraw/zinc/09/95/50/503099550.db2.gz NPTDFFZHVBSMKQ-FQEVSTJZSA-N 2 0 367.965 3.375 20 0 FGADRP CCc1ccc([C@H](CNC(=O)N2CCCC23CC[NH+](C)CC3)[NH+](C)C)cc1 ZINC000510366236 503100310 /nfs/dbraw/zinc/10/03/10/503100310.db2.gz XKIMCHPCFZADQJ-FQEVSTJZSA-N 2 0 372.557 3.122 20 0 FGADRP C[C@H](CNC(=O)c1oc2ccccc2c1C[NH+](C)C)[N@@H+]1CCC[C@@H](C)C1 ZINC000510384500 503103944 /nfs/dbraw/zinc/10/39/44/503103944.db2.gz MQRALRNIZQCZSM-HZPDHXFCSA-N 2 0 357.498 3.345 20 0 FGADRP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(CC(=O)NCCCc2ccccc2)C1 ZINC000506472750 503122785 /nfs/dbraw/zinc/12/27/85/503122785.db2.gz USSMJMOROVXYMF-RBBKRZOGSA-N 2 0 371.569 3.322 20 0 FGADRP CCC[NH+]1CCC(CNC(=O)N[C@@H](C)[C@@H](c2ccccc2C)[NH+](C)C)CC1 ZINC000490185705 503125861 /nfs/dbraw/zinc/12/58/61/503125861.db2.gz ZNHNQEBRUOZIEZ-RXVVDRJESA-N 2 0 374.573 3.407 20 0 FGADRP CC[NH+](CC)CC1CCN(C(=O)NCC(C)(C)[NH+]2CCCCC2)CC1 ZINC000514564278 503137468 /nfs/dbraw/zinc/13/74/68/503137468.db2.gz DOROGNAVHJUWPT-UHFFFAOYSA-N 2 0 352.567 3.014 20 0 FGADRP C[NH2+][C@H](CC(C)(C)C)C(=O)Nc1ccccc1CN1C[C@H](C)O[C@@H](C)C1 ZINC000514604067 503146955 /nfs/dbraw/zinc/14/69/55/503146955.db2.gz AGFIOHHZDSPKOT-TXPKVOOTSA-N 2 0 361.530 3.259 20 0 FGADRP CC(C)[C@@H](C[NH2+][C@@H](C)CCc1c(F)cccc1F)N1CC[NH+](C)CC1 ZINC000510754730 503185710 /nfs/dbraw/zinc/18/57/10/503185710.db2.gz NTVYUXNELZRPDC-OXJNMPFZSA-N 2 0 353.501 3.148 20 0 FGADRP CC1CC[NH+](CCNC(=O)N2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)CC1 ZINC000506929531 503195965 /nfs/dbraw/zinc/19/59/65/503195965.db2.gz GCZAMODEXHFBLJ-WOJBJXKFSA-N 2 0 364.578 3.014 20 0 FGADRP CSc1cc2c(cc1C[NH+]1CCC(C[NH+]3CCCC3)CC1)OCCO2 ZINC000506944890 503198552 /nfs/dbraw/zinc/19/85/52/503198552.db2.gz MVTAPPDLPVSKTO-UHFFFAOYSA-N 2 0 362.539 3.488 20 0 FGADRP C[C@]12C[C@H]1CCC[C@H]2[NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000502432140 503198715 /nfs/dbraw/zinc/19/87/15/503198715.db2.gz QRDQWJRFROFRER-SJBKTWHCSA-N 2 0 355.526 3.181 20 0 FGADRP C[N@H+](CCCNC(=O)[C@H]1CCC[NH+]1Cc1ccccc1)Cc1ccccc1 ZINC000498600029 503223830 /nfs/dbraw/zinc/22/38/30/503223830.db2.gz ZYSOFHQPVRNKIN-JOCHJYFZSA-N 2 0 365.521 3.289 20 0 FGADRP CCC[C@H]([NH2+]C(C)C)C(=O)N1CCC[C@H]([N@H+](C)Cc2ccccn2)CC1 ZINC000507090686 503228342 /nfs/dbraw/zinc/22/83/42/503228342.db2.gz VDLTYOKUNBODFZ-PMACEKPBSA-N 2 0 360.546 3.061 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)NCC[NH+](C)C3CC3)cc2)C1 ZINC000490863603 503237985 /nfs/dbraw/zinc/23/79/85/503237985.db2.gz UMZKEDZFRXCVRW-HDICACEKSA-N 2 0 372.557 3.058 20 0 FGADRP CC[C@@H]([NH2+]Cc1ccncc1OCC[NH+](C)C)c1ccc2c(c1)OCCO2 ZINC000515012949 503249987 /nfs/dbraw/zinc/24/99/87/503249987.db2.gz FAPUOGDRYFHLCX-GOSISDBHSA-N 2 0 371.481 3.034 20 0 FGADRP CC[NH+]1CCN(Cc2ccccc2C[NH2+][C@H]2CCC[C@@H]2CCOC)CC1 ZINC000502706709 503255334 /nfs/dbraw/zinc/25/53/34/503255334.db2.gz IJTZBBUPOXBXFU-KNQAVFIVSA-N 2 0 359.558 3.119 20 0 FGADRP Cc1cc([C@@H](C)[NH2+]CCCC[NH+]2CCN(c3cccc(C)c3)CC2)nn1C ZINC000502709063 503255974 /nfs/dbraw/zinc/25/59/74/503255974.db2.gz SOLCZHPUQSXRKO-HXUWFJFHSA-N 2 0 369.557 3.290 20 0 FGADRP Cc1cc2ncn(C[C@@H](O)C[N@@H+]3CCC=C(c4ccco4)C3)c2cc1C ZINC000511108828 503256548 /nfs/dbraw/zinc/25/65/48/503256548.db2.gz QPFYLLQKMSSNOV-SFHVURJKSA-N 2 0 351.450 3.396 20 0 FGADRP C[C@@H](C[NH2+]CCC(=O)Nc1cccc(C(F)(F)F)c1)C[NH+]1CCCC1 ZINC000515165928 503282763 /nfs/dbraw/zinc/28/27/63/503282763.db2.gz PGNGRTPDDSIIQP-AWEZNQCLSA-N 2 0 357.420 3.356 20 0 FGADRP CC(C)C[NH+]1CCC(NC(=O)NCCCC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000502865425 503292709 /nfs/dbraw/zinc/29/27/09/503292709.db2.gz YXIIVJPAHSWIOS-GOSISDBHSA-N 2 0 352.567 3.061 20 0 FGADRP C[C@@H]1CN(C(=O)CC[C@H]2CCCC[NH+]2C)[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC000502884863 503298970 /nfs/dbraw/zinc/29/89/70/503298970.db2.gz LGFQYABUHHPAMP-SVFBPWRDSA-N 2 0 357.542 3.372 20 0 FGADRP Cc1cccc(N2CC[NH+](CCCC[NH2+][C@@H](C)[C@H]3CCCOC3)CC2)c1 ZINC000507460296 503302500 /nfs/dbraw/zinc/30/25/00/503302500.db2.gz HVPKLELOOKWTQU-SFTDATJTSA-N 2 0 359.558 3.302 20 0 FGADRP CC(C)n1cc2c(n1)C[C@H]([NH2+]C1CCN(CCC(F)(F)F)CC1)CC2 ZINC000507527857 503315747 /nfs/dbraw/zinc/31/57/47/503315747.db2.gz NGNNLKAGMVOQEA-MRXNPFEDSA-N 2 0 358.452 3.328 20 0 FGADRP C[C@H](NC(=O)NCC[N@H+]1[C@H](C)CCC[C@@H]1C)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000511418874 503318141 /nfs/dbraw/zinc/31/81/41/503318141.db2.gz UWSUBCJMVGQNQO-RDGPPVDQSA-N 2 0 364.578 3.202 20 0 FGADRP CN(CCC(=O)NC[C@@H](C[NH+](C)C)c1ccc(Cl)cc1)c1cc[nH+]cc1 ZINC000515417600 503334628 /nfs/dbraw/zinc/33/46/28/503334628.db2.gz ZLVOIZDSJRFCQL-KRWDZBQOSA-N 2 0 374.916 3.023 20 0 FGADRP C[C@@H](CNC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)[NH+](C)C1CC1 ZINC000511562918 503344057 /nfs/dbraw/zinc/34/40/57/503344057.db2.gz XFXRSVABDWITCM-PXNSSMCTSA-N 2 0 372.557 3.069 20 0 FGADRP COc1cc(C[N@@H+]2CC[C@@H](Nc3cc[nH+]c(C)c3Cl)C2)cc(OC)c1 ZINC000499153357 503344719 /nfs/dbraw/zinc/34/47/19/503344719.db2.gz AAPHCBYBFYISHU-OAHLLOKOSA-N 2 0 361.873 3.169 20 0 FGADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N[C@H]1CC[NH+]([C@H](C)c2ccccc2)C1 ZINC000503093942 503345075 /nfs/dbraw/zinc/34/50/75/503345075.db2.gz ZSDJFZLYXKNKOR-HLAWJBBLSA-N 2 0 372.557 3.386 20 0 FGADRP CC(C)[N@@H+]1CC[C@H](C[NH2+][C@H](C)CC(=O)N(C)Cc2ccccc2Cl)C1 ZINC000515480694 503347039 /nfs/dbraw/zinc/34/70/39/503347039.db2.gz UFNANGDMONGKON-IAGOWNOFSA-N 2 0 365.949 3.397 20 0 FGADRP C[C@H](NC(=O)NC[C@@H]1[N@H+](C)CCCC1(C)C)[C@H](c1ccccc1)[NH+](C)C ZINC000503385944 503398651 /nfs/dbraw/zinc/39/86/51/503398651.db2.gz KNMUSOPOFMRHSK-YTQUADARSA-N 2 0 360.546 3.097 20 0 FGADRP O[C@H]1CC[N@H+](Cc2ccccc2C[NH2+]C/C=C\c2ccc(F)c(F)c2)C1 ZINC000511929252 503417372 /nfs/dbraw/zinc/41/73/72/503417372.db2.gz ZJPSEACYZWIMKX-LLHWWHOWSA-N 2 0 358.432 3.334 20 0 FGADRP C[NH+](C)C1(CNC(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)CCCC1 ZINC000503493457 503420913 /nfs/dbraw/zinc/42/09/13/503420913.db2.gz ZEKPTCYZBIGKPN-IBGZPJMESA-N 2 0 364.578 3.158 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cc(Cl)cc(Cl)c1 ZINC000499508512 503421723 /nfs/dbraw/zinc/42/17/23/503421723.db2.gz OFCPJJFDVONSRS-KRWDZBQOSA-N 2 0 372.340 3.482 20 0 FGADRP C[NH+](C)CCNC(=O)c1ccc(C[NH2+]C/C=C/c2ccc(F)c(F)c2)cc1 ZINC000512073115 503450524 /nfs/dbraw/zinc/45/05/24/503450524.db2.gz PVBVNQBIZHMPPQ-ONEGZZNKSA-N 2 0 373.447 3.059 20 0 FGADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)N[C@@H]2CC[NH+](Cc3ccccc3)[C@H]2C)C1 ZINC000493911312 503457218 /nfs/dbraw/zinc/45/72/18/503457218.db2.gz FWAOXDAMPLQTGL-CEWLAPEOSA-N 2 0 372.557 3.069 20 0 FGADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000499695285 503459272 /nfs/dbraw/zinc/45/92/72/503459272.db2.gz RPZHFHZKXYJJOK-RTWAWAEBSA-N 2 0 357.542 3.279 20 0 FGADRP C[C@@H]([NH2+]C1(CNC(=O)N2CC[N@H+](C)CC[C@H]2C)CCCC1)c1ccccc1 ZINC000503741730 503467594 /nfs/dbraw/zinc/46/75/94/503467594.db2.gz XURVCIDJSWBMDK-RTBURBONSA-N 2 0 372.557 3.386 20 0 FGADRP CC(C)C[NH+]1CCN(C(=O)NCC(C)(C)[NH2+][C@@H](C)c2ccccc2)CC1 ZINC000503739734 503467633 /nfs/dbraw/zinc/46/76/33/503467633.db2.gz SUOQAQSAIKLPFW-SFHVURJKSA-N 2 0 360.546 3.099 20 0 FGADRP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cccc(I)c2)[C@H](C)C1 ZINC000516199876 503468630 /nfs/dbraw/zinc/46/86/30/503468630.db2.gz XSCOTVVIOLKSNP-CJNGLKHVSA-N 2 0 372.294 3.453 20 0 FGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000493990777 503471523 /nfs/dbraw/zinc/47/15/23/503471523.db2.gz DCOLTAFITWCBHW-HXUWFJFHSA-N 2 0 359.514 3.364 20 0 FGADRP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+]2CCCCC[C@@H]2C)CC1 ZINC000512158226 503472681 /nfs/dbraw/zinc/47/26/81/503472681.db2.gz BQWDVMGVOWGLAN-IBGZPJMESA-N 2 0 357.542 3.340 20 0 FGADRP COCC(C)(C)C[NH2+]Cc1cc(C(F)(F)F)ccc1N1CC[NH+](C)CC1 ZINC000494096345 503487041 /nfs/dbraw/zinc/48/70/41/503487041.db2.gz ARELJSLBQKBQFL-UHFFFAOYSA-N 2 0 373.463 3.219 20 0 FGADRP CCCCCNC(=O)[C@H](C)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000512235127 503493784 /nfs/dbraw/zinc/49/37/84/503493784.db2.gz ACSILUWIJDDJNP-UGKGYDQZSA-N 2 0 357.542 3.279 20 0 FGADRP C[C@@H]1CCC[C@](CNC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)([NH+](C)C)C1 ZINC000516394662 503506404 /nfs/dbraw/zinc/50/64/04/503506404.db2.gz HUDYETDREPOTCP-CBQOVEMMSA-N 2 0 357.542 3.278 20 0 FGADRP c1nc(-c2ccccn2)sc1C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000512432361 503548651 /nfs/dbraw/zinc/54/86/51/503548651.db2.gz FMLYIMNVUAGYBF-UHFFFAOYSA-N 2 0 372.538 3.139 20 0 FGADRP Cc1ccccc1[C@H]([C@H](C)NC(=O)NC1CCC(C[NH+](C)C)CC1)[NH+](C)C ZINC000500130644 503561506 /nfs/dbraw/zinc/56/15/06/503561506.db2.gz KSEYJUOXYLWTNU-OXKPJDFFSA-N 2 0 374.573 3.406 20 0 FGADRP CCCN(CC[NH+]1CCCCC1)C(=O)NC[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC000500154751 503566035 /nfs/dbraw/zinc/56/60/35/503566035.db2.gz HYKYIUHFZHHUCJ-FQEVSTJZSA-N 2 0 366.594 3.262 20 0 FGADRP CC(C)[NH+](CCN(C)C(=O)N[C@@H](C)C[N@H+](C)Cc1ccccc1)C(C)C ZINC000504434302 503573639 /nfs/dbraw/zinc/57/36/39/503573639.db2.gz MRSUFSBLEHNLBO-IBGZPJMESA-N 2 0 362.562 3.267 20 0 FGADRP O[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]C2CC(OCc3ccccc3)C2)CC1 ZINC000494644642 503581865 /nfs/dbraw/zinc/58/18/65/503581865.db2.gz DBOJAQGPZBBZGC-QZNJRLLKSA-N 2 0 358.526 3.092 20 0 FGADRP CCOC(=O)c1c(C)c2ccccc2nc1CN1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000516770947 503583724 /nfs/dbraw/zinc/58/37/24/503583724.db2.gz UTRHQGMGQGEYRZ-CGTJXYLNSA-N 2 0 367.493 3.279 20 0 FGADRP CSc1ccc([C@H](C)[NH2+]CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)cc1 ZINC000500244779 503587289 /nfs/dbraw/zinc/58/72/89/503587289.db2.gz JRFMHUDJVKNKQQ-JXFKEZNVSA-N 2 0 371.550 3.478 20 0 FGADRP CC(C)[C@@H]([NH3+])C(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000494672575 503589213 /nfs/dbraw/zinc/58/92/13/503589213.db2.gz ZZNXWGJCRLANFH-DJIMGWMZSA-N 2 0 371.447 3.188 20 0 FGADRP C[C@H](NC(=O)N1CCC[C@H]1C[NH+]1CCCCC1)[C@H](c1ccccc1)[NH+](C)C ZINC000508904941 503596134 /nfs/dbraw/zinc/59/61/34/503596134.db2.gz JFFCHSNOMKDSGC-SESVDKBCSA-N 2 0 372.557 3.338 20 0 FGADRP Cc1ccccc1[C@H]([C@H](C)NC(=O)N1CCCC12CC[NH+](C)CC2)[NH+](C)C ZINC000508908436 503597236 /nfs/dbraw/zinc/59/72/36/503597236.db2.gz SLOFVZOENZZDTI-ICSRJNTNSA-N 2 0 372.557 3.256 20 0 FGADRP C[NH+]1CCN(CCC(C)(C)[NH2+]Cc2ccc(Sc3ccccn3)o2)CC1 ZINC000512644077 503602644 /nfs/dbraw/zinc/60/26/44/503602644.db2.gz IYVFRDWKHGHSKR-UHFFFAOYSA-N 2 0 374.554 3.332 20 0 FGADRP C[NH+](C)C1CCC([NH2+]CCC(=O)Nc2cccc(C(F)(F)F)c2)CC1 ZINC000516923052 503620048 /nfs/dbraw/zinc/62/00/48/503620048.db2.gz ZPXIMLAZKFWHDQ-UHFFFAOYSA-N 2 0 357.420 3.496 20 0 FGADRP C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)c2cccc(C[NH+]3CCCC3)c2)C1 ZINC000517095667 503666943 /nfs/dbraw/zinc/66/69/43/503666943.db2.gz BAHRIFCVGZCNBU-OALUTQOASA-N 2 0 357.542 3.380 20 0 FGADRP CCOc1ccc(NC(=O)[C@H](C)[NH+]2CCC(C[N@H+](C)C(C)C)CC2)cc1 ZINC000532950923 503671085 /nfs/dbraw/zinc/67/10/85/503671085.db2.gz XSQJAKKZAHSHCW-KRWDZBQOSA-N 2 0 361.530 3.465 20 0 FGADRP CC(C)(C)[C@@H]1CCC[N@@H+]1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000532969619 503680705 /nfs/dbraw/zinc/68/07/05/503680705.db2.gz LUWGCYMHSXDGEQ-FQEVSTJZSA-N 2 0 357.542 3.409 20 0 FGADRP C[C@H]1CC[C@H](C)[NH+]1CCN1CC[NH+](CCCCOc2ccccc2)CC1 ZINC000527108035 503681352 /nfs/dbraw/zinc/68/13/52/503681352.db2.gz XZLTUXYDSQNDHH-SFTDATJTSA-N 2 0 359.558 3.336 20 0 FGADRP CC[NH+](CC)CCOC1CC[NH+](Cc2cccc3c2OCCCO3)CC1 ZINC000536711356 503693411 /nfs/dbraw/zinc/69/34/11/503693411.db2.gz SQNVYBUZCSBDHC-UHFFFAOYSA-N 2 0 362.514 3.171 20 0 FGADRP CCCOc1cncc(NC(=O)C2CC[NH+](C3CCN(CC)CC3)CC2)c1 ZINC000529841466 503730422 /nfs/dbraw/zinc/73/04/22/503730422.db2.gz BSSWSYKLSLIYOZ-UHFFFAOYSA-N 2 0 374.529 3.005 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H]2CCN(C(C)=O)c3ccccc32)[C@H](C)C1 ZINC000536842827 503738310 /nfs/dbraw/zinc/73/83/10/503738310.db2.gz BEUSPFCMPGYHGK-QMMLZNLJSA-N 2 0 373.541 3.211 20 0 FGADRP Cc1cccc(CN(CC[NH+](C)C)C(=O)NCC[C@H](C)[NH+]2CCCCC2)c1 ZINC000543381375 503746490 /nfs/dbraw/zinc/74/64/90/503746490.db2.gz XSIUQFXQIXPVES-FQEVSTJZSA-N 2 0 374.573 3.333 20 0 FGADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)NCC2([NH+](C)C)CCCCC2)C1 ZINC000517541701 503767393 /nfs/dbraw/zinc/76/73/93/503767393.db2.gz QOOUNNPAJXJRMB-ICSRJNTNSA-N 2 0 372.557 3.386 20 0 FGADRP CN(CC1([NH+](C)C)CCC1)C(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000527343537 503772784 /nfs/dbraw/zinc/77/27/84/503772784.db2.gz LOVMJHMPGUGWFS-KRWDZBQOSA-N 2 0 366.937 3.068 20 0 FGADRP CC[C@H]([NH2+]CCCC[NH+]1CCN(c2ccccc2)CC1)c1ccn(C)n1 ZINC000543592397 503822511 /nfs/dbraw/zinc/82/25/11/503822511.db2.gz SYCUAVGQNMIZHW-FQEVSTJZSA-N 2 0 355.530 3.063 20 0 FGADRP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000543644264 503840135 /nfs/dbraw/zinc/84/01/35/503840135.db2.gz HOYIWHHTUFPMBW-QRVBRYPASA-N 2 0 366.594 3.116 20 0 FGADRP C[C@H](NC(=O)CN(C)C[C@@H]1CCC[N@H+](C)C1)c1ccc(Cl)cc1Cl ZINC000533431529 503843172 /nfs/dbraw/zinc/84/31/72/503843172.db2.gz OTNWQZPBVWXQST-UONOGXRCSA-N 2 0 372.340 3.444 20 0 FGADRP CC(C)(C)C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1ccc(F)cc1 ZINC000537293259 503871142 /nfs/dbraw/zinc/87/11/42/503871142.db2.gz KEQKVYYSQONRLL-PKOBYXMFSA-N 2 0 363.521 3.480 20 0 FGADRP CCC1(CC)[C@H]([NH2+][C@@H](CN2CC[NH+](C)CC2)c2ccccc2)C[C@@H]1OC ZINC000537295233 503872107 /nfs/dbraw/zinc/87/21/07/503872107.db2.gz KAFYESVPNXTHLL-HBMCJLEFSA-N 2 0 359.558 3.158 20 0 FGADRP OC[C@H](C[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)Cc1ccco1 ZINC000543762213 503883702 /nfs/dbraw/zinc/88/37/02/503883702.db2.gz ISNZKCFPDVAAFX-PABCKOPISA-N 2 0 368.521 3.321 20 0 FGADRP Fc1cccc(-c2cnc(C[NH+]3CCC(CO[C@@H]4CC[NH2+]C4)CC3)o2)c1 ZINC000530242301 503891107 /nfs/dbraw/zinc/89/11/07/503891107.db2.gz SJKXUDDSVYSHHU-GOSISDBHSA-N 2 0 359.445 3.071 20 0 FGADRP CCc1ccc([C@@H](C)[NH2+][C@@H](Cc2ccccc2)C(=O)NCC[NH+](C)C)cc1 ZINC000540788150 503893098 /nfs/dbraw/zinc/89/30/98/503893098.db2.gz YVVRDDCEIFPNMM-GCJKJVERSA-N 2 0 367.537 3.189 20 0 FGADRP Cc1cc(C)cc([C@@H](C)[NH2+][C@@H](Cc2ccccc2)C(=O)NCC[NH+](C)C)c1 ZINC000540789099 503893179 /nfs/dbraw/zinc/89/31/79/503893179.db2.gz QUWOIVYDLIWKCF-KNQAVFIVSA-N 2 0 367.537 3.243 20 0 FGADRP c1csc(-c2ncc(C[NH+]3CCC(CO[C@@H]4CC[NH2+]C4)CC3)s2)c1 ZINC000530248105 503894573 /nfs/dbraw/zinc/89/45/73/503894573.db2.gz FZLABLDGOBRISD-OAHLLOKOSA-N 2 0 363.552 3.462 20 0 FGADRP Fc1cccc(N2CCCC2)c1C[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530249042 503894605 /nfs/dbraw/zinc/89/46/05/503894605.db2.gz SUPFZSFSPPKWRC-SFHVURJKSA-N 2 0 361.505 3.016 20 0 FGADRP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)[C@@]12CCCO2 ZINC000546870280 503909563 /nfs/dbraw/zinc/90/95/63/503909563.db2.gz FGYGTLRJLRUQMZ-CYRMBFQRSA-N 2 0 370.537 3.213 20 0 FGADRP c1nn(-c2ccccc2)cc1C[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000518164206 503919352 /nfs/dbraw/zinc/91/93/52/503919352.db2.gz ACWHFCJSGMDQAF-UNMCSNQZSA-N 2 0 360.461 3.218 20 0 FGADRP CC[NH+](CC)CCCC1CC[NH+](CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000543872304 503923486 /nfs/dbraw/zinc/92/34/86/503923486.db2.gz QDQBPCWGXMQTGG-RTBURBONSA-N 2 0 351.579 3.325 20 0 FGADRP Cc1cc(NC(=O)N[C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)c(C)cn1 ZINC000540913522 503936367 /nfs/dbraw/zinc/93/63/67/503936367.db2.gz SSNHUYWLFRSNHQ-MJGOQNOKSA-N 2 0 352.482 3.152 20 0 FGADRP COc1ccccc1/C=C\C[NH2+]CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000518269444 503940061 /nfs/dbraw/zinc/94/00/61/503940061.db2.gz JSOLYPNZQMZFTF-XFFZJAGNSA-N 2 0 365.521 3.116 20 0 FGADRP C[NH+](C)[C@H](CNC(=O)NCC1([NH+](C)C)CCCCCC1)Cc1ccccc1 ZINC000533809775 503957940 /nfs/dbraw/zinc/95/79/40/503957940.db2.gz WEZZPNLULLLQCR-FQEVSTJZSA-N 2 0 374.573 3.113 20 0 FGADRP CC[C@@H](CCc1ccccc1)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000527853273 503974261 /nfs/dbraw/zinc/97/42/61/503974261.db2.gz TZKDUCTZWMXQJV-NRFANRHFSA-N 2 0 352.526 3.334 20 0 FGADRP CC[NH+](CC)CCCC1CCN(C(=O)N[C@@H](C)C2=CC[N@H+](C)CC2)CC1 ZINC000541109500 504010609 /nfs/dbraw/zinc/01/06/09/504010609.db2.gz KSPIBOMJGLXOKH-SFHVURJKSA-N 2 0 364.578 3.180 20 0 FGADRP C[C@H](CNC(=O)c1cccc(C[N@H+](C)Cc2ccccc2)c1)C[NH+](C)C ZINC000518584599 504021303 /nfs/dbraw/zinc/02/13/03/504021303.db2.gz HWSDHWLCWFACAH-GOSISDBHSA-N 2 0 353.510 3.246 20 0 FGADRP C[C@@H]([NH2+]C[C@@H]1c2ccccc2C(=O)N1C)c1ccc(OCC[NH+](C)C)cc1 ZINC000528002311 504034276 /nfs/dbraw/zinc/03/42/76/504034276.db2.gz IJRPQVWWGGPNMJ-IIBYNOLFSA-N 2 0 367.493 3.105 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H]1c2ccccc2C(=O)N1C ZINC000528008702 504038460 /nfs/dbraw/zinc/03/84/60/504038460.db2.gz XAKAXRMFHXAZAM-WTNAPCKOSA-N 2 0 363.505 3.314 20 0 FGADRP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]CC(C)(C)C(=O)N2CCCC2)CC1 ZINC000528014506 504040478 /nfs/dbraw/zinc/04/04/78/504040478.db2.gz FCFNBOPWLVPSGS-IBGZPJMESA-N 2 0 371.569 3.320 20 0 FGADRP Cc1ccc(C[C@@H]([NH2+]Cc2ccnc(OCC[NH+](C)C)c2)C2CC2)cc1 ZINC000537944774 504091943 /nfs/dbraw/zinc/09/19/43/504091943.db2.gz NKXAOUDORWFQQF-OAQYLSRUSA-N 2 0 353.510 3.441 20 0 FGADRP CC[C@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)c1cccc(OC)c1 ZINC000537973408 504099169 /nfs/dbraw/zinc/09/91/69/504099169.db2.gz JSLXEEMMTOZNIX-NRFANRHFSA-N 2 0 369.509 3.228 20 0 FGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCOc2cccc(Cl)c2)[C@@H](C)C1 ZINC000537991756 504105039 /nfs/dbraw/zinc/10/50/39/504105039.db2.gz SUDZQKHCVFZFJR-QFBILLFUSA-N 2 0 354.922 3.445 20 0 FGADRP CC(C)[C@H](C[NH2+][C@H](C[C@H]1CCOC1)c1ccccc1)N1CC[NH+](C)CC1 ZINC000534353967 504120984 /nfs/dbraw/zinc/12/09/84/504120984.db2.gz UYRZQPKTTLHCGC-FCEUIQTBSA-N 2 0 359.558 3.016 20 0 FGADRP Cc1cccc([C@@H](NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)C(C)(C)C)c1 ZINC000530919861 504130671 /nfs/dbraw/zinc/13/06/71/504130671.db2.gz MHKQDKQVFJOVOB-LJQANCHMSA-N 2 0 362.562 3.217 20 0 FGADRP Cc1ccc(C)c(OCCC[NH+]2CCC(C)(C[NH+]3CCN(C)CC3)CC2)c1 ZINC000544489479 504153006 /nfs/dbraw/zinc/15/30/06/504153006.db2.gz PXSFHDVSDQGERO-UHFFFAOYSA-N 2 0 373.585 3.422 20 0 FGADRP CC(C)[N@@H+]1CC[C@@H](CNC(=O)NC[C@]2(C)CCC[NH+]2Cc2ccccc2)C1 ZINC000547633605 504162288 /nfs/dbraw/zinc/16/22/88/504162288.db2.gz RWCNBDJVZJKSBW-UNMCSNQZSA-N 2 0 372.557 3.071 20 0 FGADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1cccc(Oc2ccccc2)c1 ZINC000531118531 504194499 /nfs/dbraw/zinc/19/44/99/504194499.db2.gz SUVGGOKDGWZFBM-UHFFFAOYSA-N 2 0 355.482 3.044 20 0 FGADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000519361822 504202238 /nfs/dbraw/zinc/20/22/38/504202238.db2.gz FJNSQSRFRKEFDC-PKOBYXMFSA-N 2 0 361.505 3.028 20 0 FGADRP COc1ccc(C[NH+](C)C)cc1NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000531147520 504206987 /nfs/dbraw/zinc/20/69/87/504206987.db2.gz RYNAKEYCBIPIAN-QGZVFWFLSA-N 2 0 359.514 3.350 20 0 FGADRP C[C@H]1C[NH+](CCCC[NH2+]Cc2cc(O)cc(C(F)(F)F)c2)C[C@H](C)O1 ZINC000519415047 504215391 /nfs/dbraw/zinc/21/53/91/504215391.db2.gz BMGAPYLHUICTPW-KBPBESRZSA-N 2 0 360.420 3.390 20 0 FGADRP C[C@H]([NH2+][C@@H]1CCCC[C@H]1N1CCOCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000547827580 504239310 /nfs/dbraw/zinc/23/93/10/504239310.db2.gz OTVSKPOCKSSOJG-MLDBQTBOSA-N 2 0 371.569 3.130 20 0 FGADRP CCC[NH+]1CCN(c2ccccc2C[N@H+](C)CCc2ccncc2)CC1 ZINC000541761585 504244743 /nfs/dbraw/zinc/24/47/43/504244743.db2.gz IDQUKEWIYBBFKH-UHFFFAOYSA-N 2 0 352.526 3.288 20 0 FGADRP C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)[C@H]2CCCC[NH+]2Cc2ccccc2)C1 ZINC000531296645 504255676 /nfs/dbraw/zinc/25/56/76/504255676.db2.gz YKWJXTSAODOLPJ-FCHUYYIVSA-N 2 0 369.553 3.231 20 0 FGADRP CC[NH+](CC)Cc1ccc(CNC(=O)CCN(C)c2cc[nH+]cc2)cc1 ZINC000541858171 504279431 /nfs/dbraw/zinc/27/94/31/504279431.db2.gz UMFRSWFDPAYHIO-UHFFFAOYSA-N 2 0 354.498 3.066 20 0 FGADRP C[NH+](C)CCN(CCCc1ccccc1)C(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+] ZINC000519639738 504285314 /nfs/dbraw/zinc/28/53/14/504285314.db2.gz DKAGCLUAABHDIQ-FDRBHKFBSA-N 2 0 371.569 3.163 20 0 FGADRP CC(C)[N@@H+](C)C[C@H](C)NC(=O)N1CCC[NH+](Cc2ccccc2)C[C@@H]1C ZINC000519736468 504320585 /nfs/dbraw/zinc/32/05/85/504320585.db2.gz SFHKCDOVAYEBFA-OALUTQOASA-N 2 0 360.546 3.021 20 0 FGADRP O=C(Nc1ccc(CC[NH+]2CCCCC2)cc1)N[C@@H]1CC[NH2+]C12CCC2 ZINC000528674160 504324486 /nfs/dbraw/zinc/32/44/86/504324486.db2.gz HDPAXEVCQVAISP-LJQANCHMSA-N 2 0 356.514 3.121 20 0 FGADRP CCC[NH+]1CCN(c2ccccc2CN[C@H]2CC[N@@H+](C3CCCC3)C2)CC1 ZINC000531531955 504336249 /nfs/dbraw/zinc/33/62/49/504336249.db2.gz ICCYLYVRFFRPIF-NRFANRHFSA-N 2 0 370.585 3.325 20 0 FGADRP CCC[NH+]1CCN(c2ccccc2CNC[C@@H](C)C[NH+]2CCCC2)CC1 ZINC000531531989 504336309 /nfs/dbraw/zinc/33/63/09/504336309.db2.gz MXFMAJOIXNWMIS-HXUWFJFHSA-N 2 0 358.574 3.040 20 0 FGADRP CCC[NH+]1CCN(c2ccccc2C[N@H+](C)[C@H]2CC[NH+](CC)C[C@H]2C)CC1 ZINC000538717388 504339840 /nfs/dbraw/zinc/33/98/40/504339840.db2.gz XQWFPMUAOVTIRZ-IRLDBZIGSA-N 3 0 372.601 3.381 20 0 FGADRP C[C@@H]([NH2+]CC1(C(=O)N(C)C)CCCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000548156428 504351148 /nfs/dbraw/zinc/35/11/48/504351148.db2.gz ILUGMSKRNYBQJD-UYAOXDASSA-N 2 0 357.542 3.135 20 0 FGADRP C[C@H](NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)C1(c2ccccc2)CCCC1 ZINC000548189460 504364198 /nfs/dbraw/zinc/36/41/98/504364198.db2.gz UTVWVYYCSLXDMC-IBGZPJMESA-N 2 0 374.573 3.022 20 0 FGADRP COC(=O)c1cc2c(o1)c(OC)ccc2C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000538796614 504374326 /nfs/dbraw/zinc/37/43/26/504374326.db2.gz MSBOVRMYLIWPMF-NVXWUHKLSA-N 2 0 372.465 3.144 20 0 FGADRP CC(C)[C@@H](CNC(=O)N1CCC[N@@H+](C(C)(C)C)CC1)[NH+]1CCC(C)CC1 ZINC000519923810 504385291 /nfs/dbraw/zinc/38/52/91/504385291.db2.gz PPLHRCOVLWKYIW-LJQANCHMSA-N 2 0 366.594 3.259 20 0 FGADRP CC[NH+](CC)CCC[NH2+][C@@H](C)CC(=O)Nc1cccc(Br)c1 ZINC000531680472 504391113 /nfs/dbraw/zinc/39/11/13/504391113.db2.gz AMOYMCGQXCDKRE-AWEZNQCLSA-N 2 0 370.335 3.488 20 0 FGADRP CC[N@H+](CCC1CC[NH+](Cc2cnc(N3CCCC3)nc2)CC1)CC1CC1 ZINC000538857300 504394519 /nfs/dbraw/zinc/39/45/19/504394519.db2.gz HWOHZNRHWULFPN-UHFFFAOYSA-N 2 0 371.573 3.411 20 0 FGADRP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]C[C@]2(C)CCCS2)CC1 ZINC000538878810 504402591 /nfs/dbraw/zinc/40/25/91/504402591.db2.gz OIJMWTXUKWGTPO-SFHVURJKSA-N 2 0 353.963 3.467 20 0 FGADRP CN(CCCn1ccnc1)C(=O)[C@H]1CCCN1Cc1ccc(Cl)cc1 ZINC000528848971 504413105 /nfs/dbraw/zinc/41/31/05/504413105.db2.gz FQSQHHMFFZAXPP-GOSISDBHSA-N 2 0 360.889 3.050 20 0 FGADRP C[C@H](CC[NH+](C)C)NC(=O)NCc1ccccc1C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000520114762 504414821 /nfs/dbraw/zinc/41/48/21/504414821.db2.gz HCQFVWKKFKCUGW-GUDVDZBRSA-N 2 0 374.573 3.304 20 0 FGADRP COc1ccc(-c2ccccc2)cc1C[NH2+]C[C@@H](C)N1CC[NH+](C)CC1 ZINC000531789098 504424587 /nfs/dbraw/zinc/42/45/87/504424587.db2.gz KDPSYYKWUWLZLQ-GOSISDBHSA-N 2 0 353.510 3.088 20 0 FGADRP C[C@H]1CCC[C@](CNC(=O)N2CCC[N@@H+](C(C)(C)C)CC2)([NH+](C)C)C1 ZINC000520192373 504431490 /nfs/dbraw/zinc/43/14/90/504431490.db2.gz OYCSAFZQFJMLJG-PXNSSMCTSA-N 2 0 352.567 3.013 20 0 FGADRP Cc1nn(C)c(C)c1CCC[NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000548481926 504461089 /nfs/dbraw/zinc/46/10/89/504461089.db2.gz SUUCIGFAXAWCHJ-UTKZUKDTSA-N 2 0 354.542 3.470 20 0 FGADRP C[C@H]([NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1ccc2c(c1)CCC(=O)N2 ZINC000539075804 504466058 /nfs/dbraw/zinc/46/60/58/504466058.db2.gz LMTUHSTWIQORQR-ZACQAIPSSA-N 2 0 359.514 3.111 20 0 FGADRP CC(C)[N@@H+]1CC[C@@H](CNC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000548514030 504473921 /nfs/dbraw/zinc/47/39/21/504473921.db2.gz IDHUOOYGEVJWIL-FQEVSTJZSA-N 2 0 357.542 3.135 20 0 FGADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](Cc1cccnc1)c1ccc(Cl)cc1 ZINC000545457334 504493838 /nfs/dbraw/zinc/49/38/38/504493838.db2.gz HDMXADUGANGHRG-UWJYYQICSA-N 2 0 372.944 3.244 20 0 FGADRP Cc1nn(-c2cc[nH+]cc2)cc1CN1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000542465848 504500838 /nfs/dbraw/zinc/50/08/38/504500838.db2.gz MKXLZFZBSWSMPS-UTKZUKDTSA-N 2 0 351.498 3.024 20 0 FGADRP C[C@H](CCC(F)(F)F)[NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000542485954 504509878 /nfs/dbraw/zinc/50/98/78/504509878.db2.gz VLSRNJGGAUZYHK-OAHLLOKOSA-N 2 0 371.447 3.333 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H](O)CCc1ccccc1 ZINC000542487447 504510343 /nfs/dbraw/zinc/51/03/43/504510343.db2.gz XZOMGEWZXRFVBO-UEVCKROQSA-N 2 0 352.522 3.480 20 0 FGADRP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]CCC(=O)Nc2ccccn2)CC1 ZINC000520503632 504515104 /nfs/dbraw/zinc/51/51/04/504515104.db2.gz LXLQTAJOBPSWIP-SFHVURJKSA-N 2 0 366.509 3.095 20 0 FGADRP CCC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N1CCC[C@@H]([NH+](C)C)CC1 ZINC000529164378 504561362 /nfs/dbraw/zinc/56/13/62/504561362.db2.gz ALOQKFAAZNAGDQ-YPAWHYETSA-N 2 0 371.569 3.477 20 0 FGADRP C[C@@H]([NH2+][C@@H](CN1CC[NH+](C)CC1)c1ccccc1)c1ccc2c(c1)OCO2 ZINC000532220771 504577656 /nfs/dbraw/zinc/57/76/56/504577656.db2.gz XDBVOLWNNAANCB-XLIONFOSSA-N 2 0 367.493 3.055 20 0 FGADRP CCO[C@H]1C[C@@H]([NH2+]Cc2ccc(N3CC[NH+](CC)CC3)nc2)C1(CC)CC ZINC000539498792 504591180 /nfs/dbraw/zinc/59/11/80/504591180.db2.gz YPKGUMLJKCFRTR-UXHICEINSA-N 2 0 374.573 3.297 20 0 FGADRP C[N@@H+]1CC[C@H](C(=O)N2CC(C)(C)[C@H]2C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000520971089 504618934 /nfs/dbraw/zinc/61/89/34/504618934.db2.gz BUBCMRQHAKEZII-LEWJYISDSA-N 2 0 369.553 3.087 20 0 FGADRP CCN(CC)[C@@H](C[NH2+][C@@H](C)CC(=O)NC)c1ccc(C(F)(F)F)cc1 ZINC000532462979 504660041 /nfs/dbraw/zinc/66/00/41/504660041.db2.gz QZTWEUIPRXIHBH-BBRMVZONSA-N 2 0 359.436 3.203 20 0 FGADRP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(OC)c3oc(C(=O)OC)cc32)[C@H](C)C1 ZINC000539819342 504700798 /nfs/dbraw/zinc/70/07/98/504700798.db2.gz ZPURMEYUPNAQLA-PBHICJAKSA-N 2 0 374.481 3.390 20 0 FGADRP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(OC)c3oc(C(=O)OC)cc32)[C@H](C)C1 ZINC000539819343 504701104 /nfs/dbraw/zinc/70/11/04/504701104.db2.gz ZPURMEYUPNAQLA-RHSMWYFYSA-N 2 0 374.481 3.390 20 0 FGADRP C[C@@H](C[NH2+][C@@H]1CCCc2c(Br)cccc21)N1CC[NH+](C)CC1 ZINC000543081622 504717022 /nfs/dbraw/zinc/71/70/22/504717022.db2.gz YHZKYCYAKPBBCL-KBXCAEBGSA-N 2 0 366.347 3.052 20 0 FGADRP CCC[NH+]1CCN(c2ccccc2C[N@@H+]2CCC[C@@H]3COCC[C@@H]32)CC1 ZINC000539890770 504731278 /nfs/dbraw/zinc/73/12/78/504731278.db2.gz MMINEEQLQZNTHB-IRLDBZIGSA-N 2 0 357.542 3.220 20 0 FGADRP O[C@]1(C[NH2+]Cc2cccc(-c3ccccn3)c2)CCN(Cc2ccccc2)C1 ZINC000532672338 504731927 /nfs/dbraw/zinc/73/19/27/504731927.db2.gz JGQPDUAZTFARPV-DEOSSOPVSA-N 2 0 373.500 3.475 20 0 FGADRP CN(c1ccccc1C[N@@H+]1CCC[C@@H]([C@@H]2CCOC2)C1)C1CC[NH+](C)CC1 ZINC000539899339 504735029 /nfs/dbraw/zinc/73/50/29/504735029.db2.gz DRFQOPILYOGUIM-TZIWHRDSSA-N 2 0 371.569 3.466 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)N1CCC[C@@H]1C[NH+]1CCCCC1)CC(C)C ZINC000521522323 504752266 /nfs/dbraw/zinc/75/22/66/504752266.db2.gz XZGVGXFNVZQILB-WOJBJXKFSA-N 2 0 366.594 3.403 20 0 FGADRP CCC(CC)[C@@H](CNC(=O)NCC[N@H+](C)C1CCCC1)[NH+]1CCCC1 ZINC000521521746 504752475 /nfs/dbraw/zinc/75/24/75/504752475.db2.gz KLIJLPWKSJEOTA-LJQANCHMSA-N 2 0 352.567 3.061 20 0 FGADRP C[C@H]1[C@H](NC(=O)CC[NH+](C)C2CCCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000559091513 504779490 /nfs/dbraw/zinc/77/94/90/504779490.db2.gz QBHSZUVVDXENNS-GHTZIAJQSA-N 2 0 357.542 3.420 20 0 FGADRP Cc1nc(-c2cccc(NC(=O)CN3C[C@H](C[NH3+])[C@H](C)C[C@@H]3C)c2)cs1 ZINC000565045058 504779960 /nfs/dbraw/zinc/77/99/60/504779960.db2.gz WLWLNWQGRBZLJM-KEYYUXOJSA-N 2 0 372.538 3.362 20 0 FGADRP COc1ccc(-c2nc(C[N@H+]3CC[C@H]4C[NH2+]C[C@H]4CC3)cs2)c(OC)c1 ZINC000565046903 504780652 /nfs/dbraw/zinc/78/06/52/504780652.db2.gz XFSNGVJULKUCOW-GASCZTMLSA-N 2 0 373.522 3.259 20 0 FGADRP C[C@@H]([NH2+][C@@H](CO)Cc1ccc(F)cc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000552922994 504789146 /nfs/dbraw/zinc/78/91/46/504789146.db2.gz DDMOVWBIDAJNOH-OXQOHEQNSA-N 2 0 360.473 3.020 20 0 FGADRP C[N@@H+]1C[C@H](NC(=O)c2ccc(C[NH+]3CCCC3)cc2)[C@@H](c2ccccc2)C1 ZINC000549343511 504796362 /nfs/dbraw/zinc/79/63/62/504796362.db2.gz CKTNHMWWZSHBIZ-YADHBBJMSA-N 2 0 363.505 3.110 20 0 FGADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2ccc(C)cc2-c2cnn(C)c2)C1 ZINC000549402796 504810687 /nfs/dbraw/zinc/81/06/87/504810687.db2.gz CAVXXYRHUKBCGM-OAQYLSRUSA-N 2 0 370.541 3.328 20 0 FGADRP C[C@@H](C(=O)NCc1ccccc1C[N@H+](C)C1CCCCC1)[NH+]1CC(C)C1 ZINC000553039039 504811964 /nfs/dbraw/zinc/81/19/64/504811964.db2.gz FDORBBILULMDAE-SFHVURJKSA-N 2 0 357.542 3.408 20 0 FGADRP CSCc1cnc(C[NH2+]CC2(N3CCCCC3)CC[NH+](C)CC2)s1 ZINC000559272767 504816516 /nfs/dbraw/zinc/81/65/16/504816516.db2.gz BHIONSPKJPSYIV-UHFFFAOYSA-N 2 0 368.616 3.046 20 0 FGADRP CCC[C@H](C)C(=O)NCC[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000556202821 504819728 /nfs/dbraw/zinc/81/97/28/504819728.db2.gz DAHPAWSHHLOINU-ZIBCJSCZSA-N 2 0 357.542 3.039 20 0 FGADRP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000553169929 504842940 /nfs/dbraw/zinc/84/29/40/504842940.db2.gz IPCRZVVUHGMTHP-HLAWJBBLSA-N 2 0 355.526 3.126 20 0 FGADRP CC(C)(C)[NH+]1CCC([NH2+]C[C@@H](O)COc2ccc3ccccc3c2)CC1 ZINC000565299495 504848298 /nfs/dbraw/zinc/84/82/98/504848298.db2.gz IMQKSJVWRGOUTD-HXUWFJFHSA-N 2 0 356.510 3.432 20 0 FGADRP C[NH+]1CCC([C@@H]2CC[N@H+](Cc3ccc(OC[C@H]4CCCO4)cc3)C2)CC1 ZINC000565356102 504863874 /nfs/dbraw/zinc/86/38/74/504863874.db2.gz TYOJBJWJYZLIDO-IFMALSPDSA-N 2 0 358.526 3.408 20 0 FGADRP Cn1nccc1[C@@H]1CCC[C@H]([NH2+]CCc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000562615097 504880095 /nfs/dbraw/zinc/88/00/95/504880095.db2.gz CZXZZHAKPBHPHH-UXHICEINSA-N 2 0 370.541 3.219 20 0 FGADRP CC[NH+](CC)Cc1cccc(CNC(=O)N2C[C@@H]([NH+]3CCCC3)C[C@H]2C)c1 ZINC000553467803 504922894 /nfs/dbraw/zinc/92/28/94/504922894.db2.gz QCMQWJDBSHVLQX-NQIIRXRSSA-N 2 0 372.557 3.297 20 0 FGADRP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]C1CCC(CS(C)(=O)=O)CC1 ZINC000559774295 504926885 /nfs/dbraw/zinc/92/68/85/504926885.db2.gz POTNCQFKXGAWJT-VLOYRQLPSA-N 2 0 358.592 3.080 20 0 FGADRP c1ccc2c(c1)C[C@@H]([NH2+]CCc1ccc(OCC[NH+]3CCCC3)cc1)CO2 ZINC000559788083 504928324 /nfs/dbraw/zinc/92/83/24/504928324.db2.gz SMJLIERVSVYHHX-OAQYLSRUSA-N 2 0 366.505 3.297 20 0 FGADRP c1ccc(C[NH+]2CC[C@@H]3C[N@@H+](CCCO[C@H]4CCCCO4)C[C@@H]3C2)cc1 ZINC000565686135 504958533 /nfs/dbraw/zinc/95/85/33/504958533.db2.gz SLQMTUWQLFYXIH-VSKRKVRLSA-N 2 0 358.526 3.374 20 0 FGADRP COc1ccc([C@@H](Cc2ccccc2)[NH2+]C[C@H](C)N2CC[NH+](C)CC2)cc1 ZINC000565690179 504959377 /nfs/dbraw/zinc/95/93/77/504959377.db2.gz RGNUNHCTSOVMMF-WMZHIEFXSA-N 2 0 367.537 3.205 20 0 FGADRP C[C@@H]([NH2+]C1CCN(Cc2coc(-c3ccccc3)n2)CC1)[C@@H]1CCC[NH2+]1 ZINC000565710592 504965599 /nfs/dbraw/zinc/96/55/99/504965599.db2.gz WLTSWAJQDXBGDX-UZLBHIALSA-N 2 0 354.498 3.036 20 0 FGADRP c1ccc(C[N@H+]2CC[C@H]([NH2+]CCOC[C@@H]3CCCO3)[C@H]3CCC[C@@H]32)cc1 ZINC000565757696 504978551 /nfs/dbraw/zinc/97/85/51/504978551.db2.gz CZHMYARAKDOKAP-LRSLUSHPSA-N 2 0 358.526 3.215 20 0 FGADRP CC[C@H](C(=O)N(CC(C)C)C1CC[NH+](C)CC1)[N@H+](C)Cc1ccccc1 ZINC000550164792 504983083 /nfs/dbraw/zinc/98/30/83/504983083.db2.gz WTIBDEDDPOQFID-OAQYLSRUSA-N 2 0 359.558 3.476 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N1C[C@H]([NH+]2CCCC2)C[C@H]1C)c1ccccc1 ZINC000553708646 504988596 /nfs/dbraw/zinc/98/85/96/504988596.db2.gz XLDFRHPHDBLCFJ-HMXCVIKNSA-N 2 0 372.557 3.338 20 0 FGADRP C[N@@H+]1CCC[C@]2(CC[NH+](CCC(=O)Nc3cccc(C(F)(F)F)c3)C2)C1 ZINC000550238090 504998206 /nfs/dbraw/zinc/99/82/06/504998206.db2.gz QHGNAHQMUDJHDU-SFHVURJKSA-N 2 0 369.431 3.452 20 0 FGADRP C[C@@H]1CC[C@H]([NH2+]C[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)[C@@H](n2cncn2)C1 ZINC000562962876 505000963 /nfs/dbraw/zinc/00/09/63/505000963.db2.gz XDXIGHFFDMBBKD-FVJLHALJSA-N 2 0 371.504 3.130 20 0 FGADRP CCc1nncn1CC[NH2+][C@@H]1CCCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000556884091 505005477 /nfs/dbraw/zinc/00/54/77/505005477.db2.gz PIZLLRBUUAFKHK-QHAWAJNXSA-N 2 0 367.541 3.121 20 0 FGADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+][C@@H]2CC(=O)N(C(C)(C)C)C2)CC1 ZINC000556887625 505006519 /nfs/dbraw/zinc/00/65/19/505006519.db2.gz ZVLMDFUXYGPCEE-IOJLRTSASA-N 2 0 357.542 3.419 20 0 FGADRP CC[N@H+](Cc1ccc(C(=O)N2CC[NH+]([C@@H]3C[C@H]3C)C[C@H](C)C2)cc1)C1CC1 ZINC000553781838 505008035 /nfs/dbraw/zinc/00/80/35/505008035.db2.gz GLRUXNINTZMFDW-NJNPRVFISA-N 2 0 369.553 3.473 20 0 FGADRP Clc1cccc(-c2noc(CC[NH2+][C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)n2)c1 ZINC000565945158 505035302 /nfs/dbraw/zinc/03/53/02/505035302.db2.gz XTNLLXQEJQNTND-BRWVUGGUSA-N 2 0 360.889 3.443 20 0 FGADRP CC[C@@H](CNC(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+])[N@@H+]1CCc2ccccc2C1 ZINC000563093018 505045841 /nfs/dbraw/zinc/04/58/41/505045841.db2.gz WLALNQKDLGDIGT-STQRKRGESA-N 2 0 369.553 3.093 20 0 FGADRP CC(C)[C@H](CNC(=O)Nc1ccc2c(c1)C[NH2+]CCO2)[NH+]1CCC(C)CC1 ZINC000557051527 505054585 /nfs/dbraw/zinc/05/45/85/505054585.db2.gz IQOSMRWODMRVAY-IBGZPJMESA-N 2 0 374.529 3.047 20 0 FGADRP Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@@H]2[NH2+]CC[C@H]2CCC[NH2+]C2)cc1 ZINC000566088201 505076114 /nfs/dbraw/zinc/07/61/14/505076114.db2.gz KACAZNXKLNFTOF-YZGWKJHDSA-N 2 0 364.555 3.059 20 0 FGADRP Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@H]2[NH2+]CC[C@@H]2CCC[NH2+]C2)cc1 ZINC000566088193 505076612 /nfs/dbraw/zinc/07/66/12/505076612.db2.gz KACAZNXKLNFTOF-DFQSSKMNSA-N 2 0 364.555 3.059 20 0 FGADRP CC[NH+]1CCC(CC[NH2+]C[C@@H](O)COc2cccc3ccccc32)CC1 ZINC000566117898 505087060 /nfs/dbraw/zinc/08/70/60/505087060.db2.gz XVTVPYZEUMOZTB-HXUWFJFHSA-N 2 0 356.510 3.291 20 0 FGADRP C[C@@H]1C[C@H](CCNC(=O)c2ccc3c[nH+]cn3c2)C[N@@H+]1Cc1ccccc1 ZINC000550716234 505089775 /nfs/dbraw/zinc/08/97/75/505089775.db2.gz XXFVUVVZMDHJDL-MJGOQNOKSA-N 2 0 362.477 3.365 20 0 FGADRP CCC[N@H+](C)[C@H](CNC(=O)NCC1CC[NH2+]CC1)c1ccc(Cl)cc1 ZINC000557199778 505091601 /nfs/dbraw/zinc/09/16/01/505091601.db2.gz IEKIIXJTGRRTOU-GOSISDBHSA-N 2 0 366.937 3.022 20 0 FGADRP C[NH+](C)[C@H](CNC(=O)C(C)(C)[C@H]([NH3+])c1ccccc1)Cc1ccccc1 ZINC000566147333 505096706 /nfs/dbraw/zinc/09/67/06/505096706.db2.gz PGSGRDQDSPNPIW-VQTJNVASSA-N 2 0 353.510 3.002 20 0 FGADRP C[NH2+][C@H](CC(C)(C)C)C(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1 ZINC000566185465 505106771 /nfs/dbraw/zinc/10/67/71/505106771.db2.gz IOFCZDBFPQPICQ-OAHLLOKOSA-N 2 0 355.910 3.243 20 0 FGADRP CCC[N@@H+]1CC[C@H](CNC(=O)N[C@@H](C)[C@@H](c2ccccc2C)[NH+](C)C)C1 ZINC000554192600 505113221 /nfs/dbraw/zinc/11/32/21/505113221.db2.gz ZYFJOVPEAAUPPT-NSHGMRRFSA-N 2 0 360.546 3.017 20 0 FGADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H](C)Cn1cc(Br)ccc1=O ZINC000550886152 505119508 /nfs/dbraw/zinc/11/95/08/505119508.db2.gz DJRKYTHXANQSPA-GJZGRUSLSA-N 2 0 372.351 3.099 20 0 FGADRP C[C@@H]([NH2+]CCCC[NH+]1CCN(Cc2ccccc2)CC1)[C@]1(C)CCCO1 ZINC000550886270 505119893 /nfs/dbraw/zinc/11/98/93/505119893.db2.gz GOXICPJAUZGACQ-IRLDBZIGSA-N 2 0 359.558 3.132 20 0 FGADRP C[N@@H+]1CC[C@H]([NH2+]CCCOc2ccc(C(F)(F)F)cn2)[C@H]2CCC[C@@H]21 ZINC000560550037 505122872 /nfs/dbraw/zinc/12/28/72/505122872.db2.gz TURMXKKRSDDBFH-PMPSAXMXSA-N 2 0 357.420 3.332 20 0 FGADRP C[N@@H+]1CCC[C@@]2(CCN(Cc3cc(Br)cc4c3OCC4)C2)C1 ZINC000560595123 505137040 /nfs/dbraw/zinc/13/70/40/505137040.db2.gz PDNFZWMMTOXOHB-GOSISDBHSA-N 2 0 365.315 3.302 20 0 FGADRP Cc1ccc(C[NH+]2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)c(-c2ccnn2C)c1 ZINC000563462224 505147400 /nfs/dbraw/zinc/14/74/00/505147400.db2.gz RWAUBOWVJYHWML-UGKGYDQZSA-N 2 0 368.525 3.114 20 0 FGADRP CN1CCN(C(=O)Nc2ccc(Cl)cc2-c2ccccc2)[C@@H](C[NH3+])C1 ZINC000563485512 505153399 /nfs/dbraw/zinc/15/33/99/505153399.db2.gz XGQXNPTXLLFDPL-INIZCTEOSA-N 2 0 358.873 3.114 20 0 FGADRP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)Nc2cccc3c2CC[NH2+]C3)C1 ZINC000563499112 505157438 /nfs/dbraw/zinc/15/74/38/505157438.db2.gz MVVPRJQVHWTHLP-IAGOWNOFSA-N 2 0 358.530 3.212 20 0 FGADRP COc1ccc(CC[NH2+]C2CC[NH+](CC3CC3)CC2)c(Cl)c1OC ZINC000551239585 505183484 /nfs/dbraw/zinc/18/34/84/505183484.db2.gz WQGCDSYFYFFLAO-UHFFFAOYSA-N 2 0 352.906 3.364 20 0 FGADRP C[NH+](C)CCN(Cc1cccs1)C(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000557634598 505188651 /nfs/dbraw/zinc/18/86/51/505188651.db2.gz LGSKFRRGPDTOHT-IBGZPJMESA-N 2 0 371.550 3.160 20 0 FGADRP C(C[NH2+]C1CC[NH+](C2CCCCC2)CC1)Cc1nnc2n1CCCCC2 ZINC000560908172 505209394 /nfs/dbraw/zinc/20/93/94/505209394.db2.gz RABOTLXIFKCPME-UHFFFAOYSA-N 2 0 359.562 3.324 20 0 FGADRP C[C@H]1C[C@H](NC(=O)NCc2ccccc2C[N@H+](C)C2CCCCC2)CC[NH2+]1 ZINC000563690876 505213371 /nfs/dbraw/zinc/21/33/71/505213371.db2.gz DQMUFXKAYSJGQZ-FXAWDEMLSA-N 2 0 372.557 3.391 20 0 FGADRP C[NH+](C)CCCC1CC[NH+](C[C@H]2CN(Cc3ccccc3)CCCO2)CC1 ZINC000551391238 505216164 /nfs/dbraw/zinc/21/61/64/505216164.db2.gz ACEMERSLVRLMPX-QHCPKHFHSA-N 2 0 373.585 3.331 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)NCC1CC[NH2+]CC1)c1ccccc1Cl ZINC000566609868 505221314 /nfs/dbraw/zinc/22/13/14/505221314.db2.gz VPTCTFMUKTXFPC-SFHVURJKSA-N 2 0 366.937 3.022 20 0 FGADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)N2C[C@H]([NH+]3CCCC3)C[C@H]2C)C1 ZINC000557812180 505236418 /nfs/dbraw/zinc/23/64/18/505236418.db2.gz NEWZPNJSDXZUNU-RMVXJAJNSA-N 2 0 370.541 3.090 20 0 FGADRP CC(C)[C@@]1(CO)CCC[NH+]([C@H](C)CC[N@H+]2CCC[C@](CO)(C(C)C)C2)C1 ZINC000561070184 505242540 /nfs/dbraw/zinc/24/25/40/505242540.db2.gz NEPSHCSPLDLBCQ-FSSWDIPSSA-N 2 0 368.606 3.226 20 0 FGADRP C[C@@H]([NH2+]CCC(=O)NC1CCCCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000554856267 505282752 /nfs/dbraw/zinc/28/27/52/505282752.db2.gz NOQJUQQNNYJOPJ-UYAOXDASSA-N 2 0 357.542 3.326 20 0 FGADRP C[C@H]1C[C@@H]1[N@@H+]1CCN(C(=O)c2ccc(C[NH+]3CCCCC3)cc2)C[C@@H](C)C1 ZINC000558012322 505285473 /nfs/dbraw/zinc/28/54/73/505285473.db2.gz POFWCCPBWPXZQZ-IPJJNNNSSA-N 2 0 369.553 3.475 20 0 FGADRP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000558022271 505287993 /nfs/dbraw/zinc/28/79/93/505287993.db2.gz FEHMUCFASXRIJL-HOJAQTOUSA-N 2 0 362.562 3.052 20 0 FGADRP C[NH+](C)CCCCC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000566890581 505301498 /nfs/dbraw/zinc/30/14/98/505301498.db2.gz IYAPREJWYIJZKG-NHCUHLMSSA-N 2 0 357.542 3.231 20 0 FGADRP C[NH+](C)CCCCC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000566890580 505301630 /nfs/dbraw/zinc/30/16/30/505301630.db2.gz IYAPREJWYIJZKG-LEWJYISDSA-N 2 0 357.542 3.231 20 0 FGADRP CCOC(=O)CC(C)(C)CC[NH+]1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000558083696 505303875 /nfs/dbraw/zinc/30/38/75/505303875.db2.gz KPLIMWOHNJJDLS-ROUUACIJSA-N 2 0 368.562 3.177 20 0 FGADRP O=C(c1ccccc1CC1CC[NH2+]CC1)N1CC[NH+](C2CCCCC2)CC1 ZINC000566914599 505310078 /nfs/dbraw/zinc/31/00/78/505310078.db2.gz AUYYZGLUKIVKBZ-UHFFFAOYSA-N 2 0 369.553 3.319 20 0 FGADRP O=C(Nc1ccccc1)NC1CC[NH+](Cc2ccc3c(c2)C[NH2+]CC3)CC1 ZINC000566919635 505311683 /nfs/dbraw/zinc/31/16/83/505311683.db2.gz UACHECUFGKEGLA-UHFFFAOYSA-N 2 0 364.493 3.118 20 0 FGADRP CC[NH+]1CCC(CNC(=O)N[C@H](C[N@H+](C)Cc2ccccc2)C(C)C)CC1 ZINC000567042031 505346329 /nfs/dbraw/zinc/34/63/29/505346329.db2.gz YINAMTPOZXBFFX-OAQYLSRUSA-N 2 0 374.573 3.174 20 0 FGADRP CCc1ccc([C@H](CNC(=O)N2CC[C@H]([NH+]3CCCC3)[C@@H]2C)[NH+](C)C)cc1 ZINC000558346840 505364559 /nfs/dbraw/zinc/36/45/59/505364559.db2.gz DDKWMWQZWLIKHA-YYWHXJBOSA-N 2 0 372.557 3.120 20 0 FGADRP COc1ccc(CC[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)cc1OC(F)F ZINC000552044761 505380519 /nfs/dbraw/zinc/38/05/19/505380519.db2.gz LYUNGIDWOIJOAR-XHSDSOJGSA-N 2 0 354.441 3.302 20 0 FGADRP C[NH+](C)CCOc1cnccc1C[NH2+]C1CC(c2cc(F)cc(F)c2)C1 ZINC000567201358 505392735 /nfs/dbraw/zinc/39/27/35/505392735.db2.gz UBRJTNVISISAAD-UHFFFAOYSA-N 2 0 361.436 3.336 20 0 FGADRP CCC[N@H+](C)[C@H](CNC(=O)N[C@H](C)CC[NH+](C)C)c1ccc(Cl)cc1 ZINC000561637475 505396539 /nfs/dbraw/zinc/39/65/39/505396539.db2.gz FBYRPQQVOUZTOM-CRAIPNDOSA-N 2 0 368.953 3.362 20 0 FGADRP COC(=O)c1cc(C[NH2+]Cc2ccc(C[NH+]3CCC(C)CC3)cc2)cn1C ZINC000564377320 505400008 /nfs/dbraw/zinc/40/00/08/505400008.db2.gz HMMFNQORWQEZGM-UHFFFAOYSA-N 2 0 369.509 3.333 20 0 FGADRP C[C@H](CCc1ccco1)[NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000567241580 505404946 /nfs/dbraw/zinc/40/49/46/505404946.db2.gz ZVRIFMWTZYYGCR-QGZVFWFLSA-N 2 0 369.509 3.088 20 0 FGADRP CC(C)[NH+]1CCC(NC(=O)N[C@@H](C[NH+](C)C)c2ccc(Cl)cc2)CC1 ZINC000567242991 505405721 /nfs/dbraw/zinc/40/57/21/505405721.db2.gz HQKIQUROUDMXFJ-SFHVURJKSA-N 2 0 366.937 3.115 20 0 FGADRP CCC[N@H+](CC)C[C@H](C)NC(=O)NC[C@@H](c1ccc(C)o1)[NH+]1CCCC1 ZINC000558602799 505435950 /nfs/dbraw/zinc/43/59/50/505435950.db2.gz OAFMIFLAJVIZFV-WMZOPIPTSA-N 2 0 364.534 3.145 20 0 FGADRP CCC[N@H+](CC)C[C@H](C)NC(=O)NC[C@H](c1ccc(C)o1)[NH+]1CCCC1 ZINC000558602797 505436274 /nfs/dbraw/zinc/43/62/74/505436274.db2.gz OAFMIFLAJVIZFV-FUHWJXTLSA-N 2 0 364.534 3.145 20 0 FGADRP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+](C)C[C@@H]1CC=CCC1 ZINC000561784853 505436774 /nfs/dbraw/zinc/43/67/74/505436774.db2.gz LKRQRCVNCJXDJP-VQTJNVASSA-N 2 0 369.553 3.444 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1CCC(=O)N[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000555539558 505451106 /nfs/dbraw/zinc/45/11/06/505451106.db2.gz MAAJJHSRJORTFA-SVFBPWRDSA-N 2 0 357.542 3.420 20 0 FGADRP CC[C@@H]([NH2+][C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C)c1cccc(C)c1 ZINC000552290048 505451745 /nfs/dbraw/zinc/45/17/45/505451745.db2.gz WHLNHSXJSSPDAG-YADHBBJMSA-N 2 0 367.537 3.325 20 0 FGADRP C[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]CCn2cc(Br)cn2)CC1 ZINC000552335523 505464148 /nfs/dbraw/zinc/46/41/48/505464148.db2.gz VIXKPNXHVWXRAI-WMLDXEAASA-N 2 0 369.351 3.278 20 0 FGADRP CCc1ccccc1[C@H]([NH3+])CNC(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000567454686 505468534 /nfs/dbraw/zinc/46/85/34/505468534.db2.gz UHUDKBGPKSDUNX-OAQYLSRUSA-N 2 0 372.557 3.345 20 0 FGADRP C[NH+](C)CCCCC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000552362888 505473875 /nfs/dbraw/zinc/47/38/75/505473875.db2.gz QHKOBYANARSKLZ-UHFFFAOYSA-N 2 0 351.922 3.153 20 0 FGADRP CC(C)[N@@H+]1CC[C@H](C[NH2+]C2CCN(C(=O)c3ccccc3Cl)CC2)C1 ZINC000561976444 505483183 /nfs/dbraw/zinc/48/31/83/505483183.db2.gz FUKMJPSPMDWWRB-MRXNPFEDSA-N 2 0 363.933 3.265 20 0 FGADRP CC[N@H+](CC(=O)N1CCC[NH+](Cc2ccccc2C)CC1)C1CCCC1 ZINC000558758447 505484610 /nfs/dbraw/zinc/48/46/10/505484610.db2.gz KPKZNTNYZVTESO-UHFFFAOYSA-N 2 0 357.542 3.294 20 0 FGADRP [NH3+][C@@H]1C[C@@H]([NH2+]CC2(c3ccc4c(c3)OCO4)CCOCC2)c2ccccc21 ZINC000567642337 505522727 /nfs/dbraw/zinc/52/27/27/505522727.db2.gz JMFLHGGZWFLHSY-RTBURBONSA-N 2 0 366.461 3.198 20 0 FGADRP [NH3+][C@H]1C[C@H]([NH2+]CC2(c3ccc4c(c3)OCO4)CCOCC2)c2ccccc21 ZINC000567642335 505522847 /nfs/dbraw/zinc/52/28/47/505522847.db2.gz JMFLHGGZWFLHSY-OALUTQOASA-N 2 0 366.461 3.198 20 0 FGADRP C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)[C@H]2C[NH2+]Cc3ccccc32)CC1 ZINC000564802278 505524361 /nfs/dbraw/zinc/52/43/61/505524361.db2.gz ZJMVWSORWAMVKH-AVRDEDQJSA-N 2 0 369.553 3.377 20 0 FGADRP C[C@@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)[C@@H]1C[C@H]1c1ccccc1 ZINC000558920286 505530344 /nfs/dbraw/zinc/53/03/44/505530344.db2.gz OVPVQBOTZJNYTR-QMMLZNLJSA-N 2 0 350.510 3.115 20 0 FGADRP O[C@H](C[NH2+]CC1CC[NH+](C2CC2)CC1)COc1ccc(Cl)cc1Cl ZINC000567700002 505541523 /nfs/dbraw/zinc/54/15/23/505541523.db2.gz BZCKHNLPNIIGIH-MRXNPFEDSA-N 2 0 373.324 3.197 20 0 FGADRP C[C@H]([NH2+]CCC(=O)Nc1cccc(C(F)(F)F)c1)C1=CC[N@H+](C)CC1 ZINC000567709845 505545262 /nfs/dbraw/zinc/54/52/62/505545262.db2.gz ATGLGYFVBPPGIK-ZDUSSCGKSA-N 2 0 355.404 3.274 20 0 FGADRP C[C@H]([NH2+]CCC(=O)Nc1cccc(Br)c1)C1=CC[N@H+](C)CC1 ZINC000567710892 505545731 /nfs/dbraw/zinc/54/57/31/505545731.db2.gz UXTNRFPKVOAJRW-ZDUSSCGKSA-N 2 0 366.303 3.018 20 0 FGADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)NCCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000564922856 505558881 /nfs/dbraw/zinc/55/88/81/505558881.db2.gz HGUABISORPOYBM-YADHBBJMSA-N 2 0 371.569 3.226 20 0 FGADRP O=C(Nc1cccc(C[NH+]2CCSCC2)c1)[C@@H]1C[NH2+]Cc2ccccc21 ZINC000567784105 505562734 /nfs/dbraw/zinc/56/27/34/505562734.db2.gz HUWHYEKICWNZBL-HXUWFJFHSA-N 2 0 367.518 3.061 20 0 FGADRP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](Cc2ccc(Sc3ccccc3)cc2)C1 ZINC000564969104 505564526 /nfs/dbraw/zinc/56/45/26/505564526.db2.gz RAUGPNPAQGRCCF-GOSISDBHSA-N 2 0 369.534 3.125 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)NCc1ccc(C[NH3+])cc1)c1ccsc1 ZINC000567819463 505565720 /nfs/dbraw/zinc/56/57/20/505565720.db2.gz MBZFZJQYBJOCOY-SFHVURJKSA-N 2 0 360.527 3.089 20 0 FGADRP COc1cc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c(-c2ccccc2)cc1OC ZINC000567870482 505569407 /nfs/dbraw/zinc/56/94/07/505569407.db2.gz DFDMABOFUSPJGB-IEBWSBKVSA-N 2 0 352.478 3.412 20 0 FGADRP Cc1cc(C(=O)C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c(C)n1CC(F)(F)F ZINC000567893705 505570433 /nfs/dbraw/zinc/57/04/33/505570433.db2.gz NEYINQBUFBYOBN-CVEARBPZSA-N 2 0 371.447 3.171 20 0 FGADRP Oc1ccc2c(c1)[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)CCC2 ZINC000582860928 506458752 /nfs/dbraw/zinc/45/87/52/506458752.db2.gz NCSATCJNKBHPBR-IRLDBZIGSA-N 2 0 352.478 3.126 20 0 FGADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1c[nH]c2cc(Cl)ccc12 ZINC000603270862 506472472 /nfs/dbraw/zinc/47/24/72/506472472.db2.gz WCNNBRAIXOCHDV-UHFFFAOYSA-N 2 0 364.921 3.167 20 0 FGADRP COc1ccc(C[NH2+]CC2CCN(c3cc[nH+]cc3)CC2)c(C)c1OC ZINC000582927503 506493090 /nfs/dbraw/zinc/49/30/90/506493090.db2.gz KHGGDIFPIAAFRW-UHFFFAOYSA-N 2 0 355.482 3.413 20 0 FGADRP CCOC(=O)C1([C@H](C)[NH2+][C@H](c2ccccc2F)C(C)C)CC[NH2+]CC1 ZINC000596647931 506508386 /nfs/dbraw/zinc/50/83/86/506508386.db2.gz CZSYOOKDQWICPS-YJBOKZPZSA-N 2 0 350.478 3.434 20 0 FGADRP CCOC(=O)C1([C@H](C)[NH2+]Cc2cc(Cl)cc(Cl)c2)CC[NH2+]CC1 ZINC000596652619 506513489 /nfs/dbraw/zinc/51/34/89/506513489.db2.gz VZIQHMKJPMPVSI-LBPRGKRZSA-N 2 0 359.297 3.404 20 0 FGADRP C[C@H]([NH2+]CCC1(C[NH3+])CC1)c1ccc(F)c(I)c1 ZINC000593320574 506538277 /nfs/dbraw/zinc/53/82/77/506538277.db2.gz UCMQZQZUWDTUOJ-JTQLQIEISA-N 2 0 362.230 3.210 20 0 FGADRP C[N@@H+]1CCN(CCC[NH2+]Cc2ccc3[nH]cnc3c2)[C@H](c2ccccc2)C1 ZINC000589639817 506614929 /nfs/dbraw/zinc/61/49/29/506614929.db2.gz WMFNLYGZBBMUPI-QFIPXVFZSA-N 2 0 363.509 3.031 20 0 FGADRP C[C@@H](CNC(=O)N1CC[C@H]([N@H+](C)Cc2ccccc2)C1)C[NH+]1CCCCC1 ZINC000608645613 506645625 /nfs/dbraw/zinc/64/56/25/506645625.db2.gz QAKDVLUUKLHNTL-FPOVZHCZSA-N 2 0 372.557 3.024 20 0 FGADRP CCc1ccc([C@@H](C)C(=O)N(CC[NH+](C)C)C[C@H]2CCC[N@H+]2CC)cc1 ZINC000589947528 506685789 /nfs/dbraw/zinc/68/57/89/506685789.db2.gz KMJHRDQACDBTIE-WIYYLYMNSA-N 2 0 359.558 3.227 20 0 FGADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)NC[C@H]1CCC[NH+]1Cc1ccccc1 ZINC000604080014 506706887 /nfs/dbraw/zinc/70/68/87/506706887.db2.gz HBZMANYOVPJQLS-LEWJYISDSA-N 2 0 372.557 3.215 20 0 FGADRP CC(C)[NH+](CCNC(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)C(C)C ZINC000604080634 506707528 /nfs/dbraw/zinc/70/75/28/506707528.db2.gz LVVNZZIRMDXGTP-FQEVSTJZSA-N 2 0 360.546 3.069 20 0 FGADRP COCCCn1nccc1C[N@@H+]1CCCC[C@@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000583321793 506717147 /nfs/dbraw/zinc/71/71/47/506717147.db2.gz FEPXZWFGYOACBE-RBBKRZOGSA-N 2 0 370.541 3.092 20 0 FGADRP COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]C[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000583348831 506729342 /nfs/dbraw/zinc/72/93/42/506729342.db2.gz HDIGZCMBQWLPKC-GJZGRUSLSA-N 2 0 367.921 3.386 20 0 FGADRP O=C(N[C@@H](C[NH+]1CCCCC1)c1ccccc1)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000604173077 506736126 /nfs/dbraw/zinc/73/61/26/506736126.db2.gz HDTLDXDZDUIEDW-NJYVYQBISA-N 2 0 370.541 3.140 20 0 FGADRP COCCc1ccc(OC[C@@H](C)[NH2+]CC2(SC)CC[NH+](C)CC2)cc1 ZINC000597131641 506793238 /nfs/dbraw/zinc/79/32/38/506793238.db2.gz CSFPRMNUDJDDJV-QGZVFWFLSA-N 2 0 366.571 3.060 20 0 FGADRP CC1(NC(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)CC[NH2+]CC1 ZINC000583489052 506806349 /nfs/dbraw/zinc/80/63/49/506806349.db2.gz KNVPZSZAMWQXTL-UHFFFAOYSA-N 2 0 358.530 3.004 20 0 FGADRP C[C@H]1[C@@H](NC(=O)N2CCC[NH+](C(C)(C)C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000583583938 506862615 /nfs/dbraw/zinc/86/26/15/506862615.db2.gz LSLAFUQMWRCDMH-ICSRJNTNSA-N 2 0 372.557 3.165 20 0 FGADRP Cc1cccc([C@@H](C)NC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)c1C ZINC000604669377 506905645 /nfs/dbraw/zinc/90/56/45/506905645.db2.gz DMRMBBJQCKNUEL-LJQANCHMSA-N 2 0 362.562 3.279 20 0 FGADRP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)NCCC[NH+](C)Cc1ccccc1 ZINC000594077325 506927349 /nfs/dbraw/zinc/92/73/49/506927349.db2.gz RFJIKGDKKJOADN-KDURUIRLSA-N 2 0 360.546 3.071 20 0 FGADRP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)C1 ZINC000604780684 506941827 /nfs/dbraw/zinc/94/18/27/506941827.db2.gz XAGDKDOYUUCYGX-QRVBRYPASA-N 2 0 368.610 3.410 20 0 FGADRP COc1ccc(-c2nn(Cc3ccccc3)cc2C[N@H+](C)CCC[NH3+])cc1 ZINC000583752412 506953058 /nfs/dbraw/zinc/95/30/58/506953058.db2.gz ITITZPQWQAAYCP-UHFFFAOYSA-N 2 0 364.493 3.388 20 0 FGADRP CCc1ccc([C@H](C)NC(=O)C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)cc1 ZINC000590786689 506958689 /nfs/dbraw/zinc/95/86/89/506958689.db2.gz MLOJUABMHXWJRD-SFHVURJKSA-N 2 0 359.558 3.478 20 0 FGADRP CC(C)[C@@H](C(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1)[NH+]1CCCCC1 ZINC000591136775 507128504 /nfs/dbraw/zinc/12/85/04/507128504.db2.gz ZKUUFZZPCXKOSF-ZCNNSNEGSA-N 2 0 351.579 3.371 20 0 FGADRP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CC[C@H]([NH+]3CCCCC3)C2)C1 ZINC000600888456 507161965 /nfs/dbraw/zinc/16/19/65/507161965.db2.gz WNXZDNKWPYYPHI-OALUTQOASA-N 2 0 364.578 3.157 20 0 FGADRP C[NH+](C)[C@@H](CNC(=O)NCCCCC[NH+]1CCCCC1)c1cccs1 ZINC000600903010 507172581 /nfs/dbraw/zinc/17/25/81/507172581.db2.gz XHPCVGPESMWOGE-KRWDZBQOSA-N 2 0 366.575 3.306 20 0 FGADRP CC(C)CN(CC[NH+](C)C)C(=O)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000591283873 507185833 /nfs/dbraw/zinc/18/58/33/507185833.db2.gz JLKXZMWRIHAPLB-LJQANCHMSA-N 2 0 363.521 3.084 20 0 FGADRP C[N@@H+]1CCCC[C@H]1C(=O)NCCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000601007930 507226083 /nfs/dbraw/zinc/22/60/83/507226083.db2.gz RVKDLHLMSSGEJU-QFIPXVFZSA-N 2 0 371.569 3.322 20 0 FGADRP CC[N@@H+]1CCCC[C@H]1C(=O)Nc1ccc(OCC[NH+]2CCCC2)c(C)c1 ZINC000605560827 507241665 /nfs/dbraw/zinc/24/16/65/507241665.db2.gz XSGJCZBMCSQGJJ-IBGZPJMESA-N 2 0 359.514 3.283 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccccc1OCC[NH+]1CCCC[C@@H]1C ZINC000591423166 507244247 /nfs/dbraw/zinc/24/42/47/507244247.db2.gz GHFKXJSOSZHQDC-OALUTQOASA-N 2 0 373.541 3.154 20 0 FGADRP CC[NH+]1CCC(C[NH2+]Cc2ccc(OC)c3oc(C(=O)OC)cc32)CC1 ZINC000610511394 507271460 /nfs/dbraw/zinc/27/14/60/507271460.db2.gz HFQKTWOACKZODA-UHFFFAOYSA-N 2 0 360.454 3.050 20 0 FGADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)C1 ZINC000591538420 507281708 /nfs/dbraw/zinc/28/17/08/507281708.db2.gz RDRNEMBBZHUVOM-TZIWHRDSSA-N 2 0 372.557 3.243 20 0 FGADRP Cc1cc(C[NH+]2CCC(C(=O)NCCC[NH+]3CCCCC3)CC2)cs1 ZINC000584358981 507300388 /nfs/dbraw/zinc/30/03/88/507300388.db2.gz NGTYZLCSDBCHDL-UHFFFAOYSA-N 2 0 363.571 3.261 20 0 FGADRP CC(C)C[C@H](CNC(=O)NCC1CC[NH2+]CC1)[NH2+][C@H](C)c1ccccc1 ZINC000584400266 507324783 /nfs/dbraw/zinc/32/47/83/507324783.db2.gz QCHHONFHDVOWAB-YLJYHZDGSA-N 2 0 360.546 3.051 20 0 FGADRP CCCC[NH+]1CCC(NC(=O)NCC(C)(C)[N@@H+]2CCC[C@H](CC)C2)CC1 ZINC000601297721 507326635 /nfs/dbraw/zinc/32/66/35/507326635.db2.gz UHARMNXCTRMXMT-SFHVURJKSA-N 2 0 366.594 3.451 20 0 FGADRP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCC[C@@H]([NH2+]C(C)C)C2)C1 ZINC000601341169 507339003 /nfs/dbraw/zinc/33/90/03/507339003.db2.gz KPJLVBGZPWIEHO-ZWKOTPCHSA-N 2 0 352.567 3.059 20 0 FGADRP C[C@@H](NC(=O)NC[C@H]1CCC[N@@H+]1CC1CCCCC1)C1CC[NH+](C)CC1 ZINC000606684808 507480113 /nfs/dbraw/zinc/48/01/13/507480113.db2.gz OKFOFKLBMVPMGH-YLJYHZDGSA-N 2 0 364.578 3.061 20 0 FGADRP C[C@H]([NH2+]C(C)(C)CNC(=O)N[C@@H](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000606688840 507480372 /nfs/dbraw/zinc/48/03/72/507480372.db2.gz HIKAVAQUMFMCNP-IRXDYDNUSA-N 2 0 360.546 3.145 20 0 FGADRP C[C@H](NC(=O)N[C@@H](C[NH+]1CCCCC1)c1ccccc1)C1CC[NH+](C)CC1 ZINC000606690751 507483392 /nfs/dbraw/zinc/48/33/92/507483392.db2.gz LMLQZOOZRKTTTM-RXVVDRJESA-N 2 0 372.557 3.243 20 0 FGADRP COC(=O)c1cc(C[NH2+]CCCC[N@@H+]2CCCC[C@H]2C)n2c1CCCC2 ZINC000598640840 507529363 /nfs/dbraw/zinc/52/93/63/507529363.db2.gz OIANALJTKKYUBO-QGZVFWFLSA-N 2 0 361.530 3.355 20 0 FGADRP COC(=O)c1cc2cc(C[N@@H+]3CCC[C@H]([C@@H]4CCC[NH2+]C4)C3)ccc2o1 ZINC000592491901 507677856 /nfs/dbraw/zinc/67/78/56/507677856.db2.gz PYOHSSSBLYLILH-SJORKVTESA-N 2 0 356.466 3.431 20 0 FGADRP CC(C)(C)[NH+]1CCC([NH2+]CCNc2ccc(-c3ccccc3)nn2)CC1 ZINC000513463970 516634513 /nfs/dbraw/zinc/63/45/13/516634513.db2.gz SELKWZDSGLRNGB-UHFFFAOYSA-N 2 0 353.514 3.408 20 0 FGADRP CC[C@@H](C)[NH2+][C@H](CNC(=O)N1CCC(CC)([NH+](C)C)CC1)c1ccco1 ZINC000637139747 568448289 /nfs/dbraw/zinc/44/82/89/568448289.db2.gz OCGCFYJKTHSASV-IAGOWNOFSA-N 2 0 364.534 3.225 20 0 FGADRP NC(=O)[C@H]1CCC[N@H+](CCC[NH2+][C@H]2CCCCc3ccc(Cl)cc32)C1 ZINC000128076972 700770510 /nfs/dbraw/zinc/77/05/10/700770510.db2.gz OWVVMLYLHHAPKY-LPHOPBHVSA-N 2 0 363.933 3.285 20 0 FGADRP CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000128092027 700770945 /nfs/dbraw/zinc/77/09/45/700770945.db2.gz FNDONFDFYIPEKH-MLHJIOFPSA-N 2 0 351.535 3.286 20 0 FGADRP C[C@H]([NH2+]C[C@H](O)COc1cccc(Cl)c1Cl)C1CC[NH+](C)CC1 ZINC000154293680 705029734 /nfs/dbraw/zinc/02/97/34/705029734.db2.gz IDZLAWPWKLPZRH-JSGCOSHPSA-N 2 0 361.313 3.053 20 0 FGADRP CC[NH+]1CCN(CCC[NH2+][C@H]2CCSc3c(Cl)cccc32)CC1 ZINC000154318882 705030765 /nfs/dbraw/zinc/03/07/65/705030765.db2.gz VFQZSDYHXZCMER-KRWDZBQOSA-N 2 0 353.963 3.494 20 0 FGADRP CC[C@H]([NH2+]CCC[N@H+](C)CCOC)c1cc(Br)ccc1O ZINC000155113879 705063657 /nfs/dbraw/zinc/06/36/57/705063657.db2.gz HGOKHNNBKDSQHO-HNNXBMFYSA-N 2 0 359.308 3.164 20 0 FGADRP C[C@H]([NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1)c1ccnc(Cl)c1 ZINC000163524763 705315385 /nfs/dbraw/zinc/31/53/85/705315385.db2.gz YOYRGKZMPAXXJJ-AWEZNQCLSA-N 2 0 366.937 3.012 20 0 FGADRP C[C@H](CSC(C)(C)C)[NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000163518825 705315683 /nfs/dbraw/zinc/31/56/83/705315683.db2.gz KEGUWGSZYGUCEY-OAHLLOKOSA-N 2 0 357.608 3.123 20 0 FGADRP C[NH+](C)CCOc1cc(C[NH2+][C@H]2CCSc3c(F)cccc32)ccn1 ZINC000179509439 705703878 /nfs/dbraw/zinc/70/38/78/705703878.db2.gz FSLIWOBDQNVHPQ-KRWDZBQOSA-N 2 0 361.486 3.488 20 0 FGADRP COc1ccc([C@@H](C)[NH2+][C@@H](CCO)CSC)cc1C[NH+]1CCCCC1 ZINC000183011436 705874090 /nfs/dbraw/zinc/87/40/90/705874090.db2.gz HZCLOPQGKVIZDS-APWZRJJASA-N 2 0 366.571 3.446 20 0 FGADRP CC[NH+]1CCC(CC[NH2+][C@H]2CCCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000183532980 705889576 /nfs/dbraw/zinc/88/95/76/705889576.db2.gz GDICYFSQJXXCIY-SFHVURJKSA-N 2 0 353.551 3.488 20 0 FGADRP COc1ccc([C@H](C)[NH2+][C@H](C)C[S@@](C)=O)cc1C[NH+]1CCCCC1 ZINC000184299828 705928718 /nfs/dbraw/zinc/92/87/18/705928718.db2.gz BXOCWTBPCNGABT-JRLRZGBRSA-N 2 0 352.544 3.099 20 0 FGADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H](C)c1cc(Br)ccc1O ZINC000185670547 712699614 /nfs/dbraw/zinc/69/96/14/712699614.db2.gz SLHGPDBAXQOJNO-GXTWGEPZSA-N 2 0 359.308 3.162 20 0 FGADRP CC(C)[C@@H](C[NH2+][C@@H]1CCSc2c(F)cccc21)N1CC[NH+](C)CC1 ZINC000194262339 713516461 /nfs/dbraw/zinc/51/64/61/713516461.db2.gz ZAJNOYFYCFAJTK-QZTJIDSGSA-N 2 0 351.535 3.224 20 0 FGADRP [NH3+][C@@H]1CCC[C@H]1CC(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000261810281 713714806 /nfs/dbraw/zinc/71/48/06/713714806.db2.gz RSDWZQZRUBOQNU-QFBILLFUSA-N 2 0 363.933 3.186 20 0 FGADRP Cc1nnc([C@H](C)[NH2+]CCCCC[NH2+][C@@H](C)c2nnc(C)s2)s1 ZINC000273624943 713754241 /nfs/dbraw/zinc/75/42/41/713754241.db2.gz REVMAOZXRUCBAD-QWRGUYRKSA-N 2 0 354.549 3.178 20 0 FGADRP CC[NH+]1CCC(C[NH2+][C@H](C)C[C@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC000310511932 713799333 /nfs/dbraw/zinc/79/93/33/713799333.db2.gz OPNJJXTZVCCOEL-SJLPKXTDSA-N 2 0 353.551 3.486 20 0 FGADRP C[NH+]1CCN(C(C)(C)C[NH2+][C@@H]2CCc3c2cccc3Br)CC1 ZINC000319638838 713809957 /nfs/dbraw/zinc/80/99/57/713809957.db2.gz HBAUUKPOABTNAY-QGZVFWFLSA-N 2 0 366.347 3.052 20 0 FGADRP [NH3+][C@@H]1CCC[C@H](NC(=O)NC[C@@H](c2cccc(Cl)c2)[NH+]2CCCC2)C1 ZINC000416989290 714008348 /nfs/dbraw/zinc/00/83/48/714008348.db2.gz DGVBLXKSPZHBLL-SQNIBIBYSA-N 2 0 364.921 3.046 20 0 FGADRP COCC1(C[NH2+][C@@H]2CCCc3ccc(Br)cc32)CC[NH2+]CC1 ZINC000423397835 714013932 /nfs/dbraw/zinc/01/39/32/714013932.db2.gz CHXNDQUBWCPNFL-QGZVFWFLSA-N 2 0 367.331 3.432 20 0 FGADRP C[C@H](O)C[C@@H]1CCCC[NH+]1CCCCC[N@H+]1CCCC[C@H]1C[C@H](C)O ZINC000447837467 714036993 /nfs/dbraw/zinc/03/69/93/714036993.db2.gz UYTUDAPNYVDPHZ-TUFLPTIASA-N 2 0 354.579 3.408 20 0 FGADRP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)NC[C@@H](C)C[NH+]1CCCCC1 ZINC000521786309 714148162 /nfs/dbraw/zinc/14/81/62/714148162.db2.gz ZHEMQPVXFNLWTH-MOPGFXCFSA-N 2 0 352.567 3.062 20 0 FGADRP CCC[NH+]1CCC(CNC(=O)NCC2([NH+](C)C)CCCCCC2)CC1 ZINC000523336470 714228827 /nfs/dbraw/zinc/22/88/27/714228827.db2.gz CPTXVRYARSZOHB-UHFFFAOYSA-N 2 0 352.567 3.062 20 0 FGADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)N(CC[NH+](C)C)CC1CCCCC1 ZINC000523433274 714234506 /nfs/dbraw/zinc/23/45/06/714234506.db2.gz KZMPEJYUFBLUFZ-LJQANCHMSA-N 2 0 352.567 3.014 20 0 FGADRP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)NC1CC[NH+](CC(C)C)CC1 ZINC000524570632 714288906 /nfs/dbraw/zinc/28/89/06/714288906.db2.gz OXRYSQIBTRLBSW-IBGZPJMESA-N 2 0 352.567 3.061 20 0 FGADRP CC1CC[NH+](CCCNC(=O)NCC2([NH+](C)C)CCCCCC2)CC1 ZINC000642655599 717987005 /nfs/dbraw/zinc/98/70/05/717987005.db2.gz XCJUQMRKEPVOSI-UHFFFAOYSA-N 2 0 352.567 3.062 20 0 FGADRP Brc1ccc([C@H]([NH2+][C@@H]2CCC[NH2+]CC2)[C@@H]2CCCO2)cc1 ZINC000643523196 718037428 /nfs/dbraw/zinc/03/74/28/718037428.db2.gz XLEYIGFAXKKTHP-IKGGRYGDSA-N 2 0 353.304 3.401 20 0 FGADRP COc1cc(C[NH2+]Cc2ccccc2CN2CCOCC2)ccc1Cl ZINC000623341536 715314695 /nfs/dbraw/zinc/31/46/95/715314695.db2.gz HELLQDBVPVNXCB-UHFFFAOYSA-N 2 0 360.885 3.471 20 0 FGADRP CC[NH+]1CCC(CC[NH2+][C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2C)CC1 ZINC000779071906 724387497 /nfs/dbraw/zinc/38/74/97/724387497.db2.gz MOIAGKNVCCJDPT-FUHWJXTLSA-N 2 0 353.551 3.344 20 0 FGADRP Cc1ccc(Br)cc1[C@H](C)[NH2+]C[C@@H](C)CN1CC[NH+](C)CC1 ZINC000623886919 715424057 /nfs/dbraw/zinc/42/40/57/715424057.db2.gz OCAUOJJCTZFGGH-ZBFHGGJFSA-N 2 0 368.363 3.292 20 0 FGADRP C[NH+]1CCC(O)(C[NH2+][C@H]2CCCC[C@@H]2Sc2ccc(F)cc2)CC1 ZINC000623897287 715426823 /nfs/dbraw/zinc/42/68/23/715426823.db2.gz KDOBFJVIJFUNIF-ROUUACIJSA-N 2 0 352.519 3.275 20 0 FGADRP C[C@@H]1CC[C@H](NC(=O)N[C@@H](C[NH+](C)C)c2ccc(Cl)c(Cl)c2)C[NH2+]1 ZINC000627209656 716008017 /nfs/dbraw/zinc/00/80/17/716008017.db2.gz UBTMMUXLUSLHET-FFSVYQOJSA-N 2 0 373.328 3.036 20 0 FGADRP C[NH+](C)C[C@H](NC(=O)N[C@@H]1CCCC[C@H]1[NH3+])c1ccc(Cl)c(Cl)c1 ZINC000627219720 716009186 /nfs/dbraw/zinc/00/91/86/716009186.db2.gz CWSZEPQESIXECC-OAGGEKHMSA-N 2 0 373.328 3.165 20 0 FGADRP C[N@H+](CCCCNC(=O)[C@H]1CCCN1Cc1ccc(Cl)cc1)C1CC1 ZINC000627704507 716057038 /nfs/dbraw/zinc/05/70/38/716057038.db2.gz WNAZNVLCRLNQMT-LJQANCHMSA-N 2 0 363.933 3.295 20 0 FGADRP C[NH2+]CCOCC[NH2+][C@H]1CCCc2nc(-c3ccc(OC)cc3)sc21 ZINC000629528974 716303468 /nfs/dbraw/zinc/30/34/68/716303468.db2.gz OJBQTIMSECUDMY-INIZCTEOSA-N 2 0 361.511 3.022 20 0 FGADRP [NH3+]C[C@H]1C[N@H+](CCC(=O)Nc2ccc(Cl)cc2)CC[C@H]1C(F)(F)F ZINC000629565852 716309805 /nfs/dbraw/zinc/30/98/05/716309805.db2.gz XSGHWQNUEAIHAH-SMDDNHRTSA-N 2 0 363.811 3.128 20 0 FGADRP Cc1cc(Br)ccc1[C@@H]1CCC[N@@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000629580384 716311078 /nfs/dbraw/zinc/31/10/78/716311078.db2.gz ABYNPRIABRRJIV-WBVHZDCISA-N 2 0 365.315 3.415 20 0 FGADRP CC(C)(C)c1nn(-c2ccccc2Cl)cc1C[NH2+]CCOCCC[NH3+] ZINC000629682241 716335247 /nfs/dbraw/zinc/33/52/47/716335247.db2.gz ZGELAMNPQSBUMB-UHFFFAOYSA-N 2 0 364.921 3.278 20 0 FGADRP O[C@H]1CCC[C@@H]1[NH+]1CCC([NH2+]Cc2ccc(CC(F)(F)F)cc2)CC1 ZINC000631091419 716563942 /nfs/dbraw/zinc/56/39/42/716563942.db2.gz MOADIDJXWGEVFA-ROUUACIJSA-N 2 0 356.432 3.259 20 0 FGADRP C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CC[NH+]2C2CCCC2)[C@H]1c1cccs1 ZINC000635602754 717181099 /nfs/dbraw/zinc/18/10/99/717181099.db2.gz JGCFTSQXWJPAAA-AYBZRNKSSA-N 2 0 361.555 3.264 20 0 FGADRP CCN1CC[NH+](CCCC[NH2+][C@@H]2C[C@@H](OC(C)(C)C)C23CCC3)CC1 ZINC000638360542 717439086 /nfs/dbraw/zinc/43/90/86/717439086.db2.gz UEZLIXQVFSQEDU-RTBURBONSA-N 2 0 351.579 3.120 20 0 FGADRP CC(=O)N(c1nc(C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)cs1)c1ccccc1 ZINC000639313201 717543039 /nfs/dbraw/zinc/54/30/39/717543039.db2.gz STDJNUXQQMPDCR-RHNCMZPLSA-N 2 0 358.511 3.258 20 0 FGADRP C[C@H]1CCC[N@H+](CCCC[NH2+]C[C@H](O)COc2ccc(Cl)cc2)C1 ZINC000644521987 718117950 /nfs/dbraw/zinc/11/79/50/718117950.db2.gz MSIQOWWNUWTWOB-WMZOPIPTSA-N 2 0 354.922 3.181 20 0 FGADRP CCC[N@@H+]1CC[C@H](C[NH2+]C[C@H](O)COc2ccc(Cl)c(Cl)c2)C1 ZINC000644530072 718119301 /nfs/dbraw/zinc/11/93/01/718119301.db2.gz LTZJXHYBJJHJOI-KGLIPLIRSA-N 2 0 361.313 3.055 20 0 FGADRP C[NH2+][C@H](CC(C)(C)C)C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000645804250 718242867 /nfs/dbraw/zinc/24/28/67/718242867.db2.gz LIVQWVYRWFPXFJ-GOSISDBHSA-N 2 0 363.571 3.241 20 0 FGADRP C[NH+]1CCC2(CC1)C[N@H+](CCCc1ccccc1Br)CCO2 ZINC000646105871 718263945 /nfs/dbraw/zinc/26/39/45/718263945.db2.gz KGMJIVJHFIFEKX-UHFFFAOYSA-N 2 0 367.331 3.178 20 0 FGADRP C[C@H](C(=O)Nc1ccc(F)cc1F)[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647975893 718390955 /nfs/dbraw/zinc/39/09/55/718390955.db2.gz HJDHEIDFNULEOV-ILXRZTDVSA-N 2 0 351.441 3.003 20 0 FGADRP Clc1ccc(-n2cc(C[N@@H+]3CCC[C@H]([C@H]4CCC[NH2+]C4)C3)nn2)cc1 ZINC000647978645 718391696 /nfs/dbraw/zinc/39/16/96/718391696.db2.gz WHAMQBLPHLKSSP-HOTGVXAUSA-N 2 0 359.905 3.132 20 0 FGADRP C[NH+]1CCC(C)(CNC(=O)NCCCCCCC[NH+]2CCCC2)CC1 ZINC000780838336 724506988 /nfs/dbraw/zinc/50/69/88/724506988.db2.gz TWUZNRSMWBZODA-UHFFFAOYSA-N 2 0 352.567 3.064 20 0 FGADRP Cc1ccc([C@@H](CNC(=O)[C@H]([NH3+])c2cccc(Cl)c2)[NH+]2CCCC2)o1 ZINC000649317631 718503777 /nfs/dbraw/zinc/50/37/77/718503777.db2.gz HJWZRWQHXMDEED-SJLPKXTDSA-N 2 0 361.873 3.195 20 0 FGADRP CC(C)C[N@H+](C)CCCNC(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000650566960 718699668 /nfs/dbraw/zinc/69/96/68/718699668.db2.gz NYHOGARCOSERAA-QGZVFWFLSA-N 2 0 366.575 3.162 20 0 FGADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@H+](Cc3cc(Br)ccc3F)C2)C1 ZINC000650705824 718716855 /nfs/dbraw/zinc/71/68/55/718716855.db2.gz XIOZUIBIYSHPCV-XGWLTEMNSA-N 2 0 371.294 3.307 20 0 FGADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2Cc2ccc(OC(F)F)c(F)c2)C1 ZINC000650722816 718720577 /nfs/dbraw/zinc/72/05/77/718720577.db2.gz BTPRSTYSBYDQJM-UNEWFSDZSA-N 2 0 358.404 3.288 20 0 FGADRP FC(F)(F)[C@H]1N(c2ncccc2C[NH+]2CCCC2)CCC12CC[NH2+]CC2 ZINC001164388574 718815887 /nfs/dbraw/zinc/81/58/87/718815887.db2.gz PYMHTYJSLIAZJQ-KRWDZBQOSA-N 2 0 368.447 3.188 20 0 FGADRP CC[C@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)c1cc(OC)c(OC)c(OC)c1 ZINC000652208653 718923044 /nfs/dbraw/zinc/92/30/44/718923044.db2.gz KUKZGJDWKHKTTR-WBVHZDCISA-N 2 0 350.503 3.485 20 0 FGADRP CC(C)CCc1nc(C[N@@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)cs1 ZINC000652348661 718935171 /nfs/dbraw/zinc/93/51/71/718935171.db2.gz MKSJWOTYARXLEQ-BQFCYCMXSA-N 2 0 351.560 3.450 20 0 FGADRP Cc1ccc(-c2nc(C[N@@H+]3CCC[C@H]([C@H]4C[C@@H]([NH3+])CCO4)C3)cs2)o1 ZINC000652348481 718935176 /nfs/dbraw/zinc/93/51/76/718935176.db2.gz FKUFBPDHEAUPJY-RLFYNMQTSA-N 2 0 361.511 3.430 20 0 FGADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@@H+]2CCC(=O)Nc2cccc(Cl)c2)C1 ZINC000652361662 718936894 /nfs/dbraw/zinc/93/68/94/718936894.db2.gz LXPKQQBRJXTVMN-KBAYOESNSA-N 2 0 365.905 3.029 20 0 FGADRP C[C@H]([NH3+])[C@H]1CCN(C(=O)Nc2ccc(SCC[NH+]3CCCC3)cc2)C1 ZINC000652613060 718966043 /nfs/dbraw/zinc/96/60/43/718966043.db2.gz IYCMJCJLIFMNLK-HOTGVXAUSA-N 2 0 362.543 3.076 20 0 FGADRP CC(C)[C@@](C)(C[NH3+])NC(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000652612997 718966087 /nfs/dbraw/zinc/96/60/87/718966087.db2.gz HTKHYTDTPYCJGE-LJQANCHMSA-N 2 0 364.559 3.369 20 0 FGADRP [NH3+]C[C@H]1CC[C@H](NC(=O)Nc2ccc(SCC[NH+]3CCCC3)cc2)C1 ZINC000652614094 718966345 /nfs/dbraw/zinc/96/63/45/718966345.db2.gz NRSZVCATGQPXGZ-RDJZCZTQSA-N 2 0 362.543 3.123 20 0 FGADRP [NH3+]CC1(CCNC(=O)Nc2ccc(SCC[NH+]3CCCC3)cc2)CC1 ZINC000652613767 718966468 /nfs/dbraw/zinc/96/64/68/718966468.db2.gz BUOANJKGMMUYHD-UHFFFAOYSA-N 2 0 362.543 3.125 20 0 FGADRP CO[C@H](C[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)C(F)(F)F ZINC000781421355 724563087 /nfs/dbraw/zinc/56/30/87/724563087.db2.gz JBOUXCPAWHIXQX-WNRNVDISSA-N 2 0 356.432 3.454 20 0 FGADRP Brc1cccc(C[NH2+]CC2CC[NH+](C3CCOCC3)CC2)c1 ZINC000657535704 719668225 /nfs/dbraw/zinc/66/82/25/719668225.db2.gz AJAJJEMHFZEEFC-UHFFFAOYSA-N 2 0 367.331 3.430 20 0 FGADRP COc1cc(C[NH2+]CC2CC[NH+](C3CCOCC3)CC2)ccc1SC ZINC000657535535 719668327 /nfs/dbraw/zinc/66/83/27/719668327.db2.gz ORCTUNKJPNFIKH-UHFFFAOYSA-N 2 0 364.555 3.398 20 0 FGADRP COCC[N@H+](C)CCOc1cccc(C[NH2+][C@H]2CCCSCC2)c1 ZINC000657868379 719722924 /nfs/dbraw/zinc/72/29/24/719722924.db2.gz OILDBXLQPDZDBI-SFHVURJKSA-N 2 0 352.544 3.019 20 0 FGADRP FC1(F)C[C@@H]1OCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000658169997 719765521 /nfs/dbraw/zinc/76/55/21/719765521.db2.gz OOVAWVYWZAEWDV-RDGPPVDQSA-N 2 0 350.453 3.443 20 0 FGADRP COCCc1nc(C)c([C@H](C)[NH2+]CC2CC[NH+](CC3CC3)CC2)s1 ZINC000658356216 719788657 /nfs/dbraw/zinc/78/86/57/719788657.db2.gz MYGNOXPAWQGYEZ-AWEZNQCLSA-N 2 0 351.560 3.413 20 0 FGADRP CC(C)[C@H]([NH3+])CCNC(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000659433396 719913453 /nfs/dbraw/zinc/91/34/53/719913453.db2.gz CYVJQBFFDDVDIH-QZTJIDSGSA-N 2 0 366.937 3.150 20 0 FGADRP CC(C)[NH+]1CCN(CCC[NH2+][C@@H]2C[C@@H](OC(C)(C)C)C23CCC3)CC1 ZINC000661841435 720329751 /nfs/dbraw/zinc/32/97/51/720329751.db2.gz PLXMEEMWHKEBTB-RTBURBONSA-N 2 0 351.579 3.118 20 0 FGADRP COc1cccc(SCC[N@@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)c1 ZINC000662285247 720410025 /nfs/dbraw/zinc/41/00/25/720410025.db2.gz IBRXUXQAGAPKJI-FCEWJHQRSA-N 2 0 350.528 3.006 20 0 FGADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@H+](Cc3cccc(F)c3OC(F)F)C2)C1 ZINC000662284206 720410087 /nfs/dbraw/zinc/41/00/87/720410087.db2.gz GDZMNCSZPLFJHM-JGGQBBKZSA-N 2 0 358.404 3.145 20 0 FGADRP C[C@H](NC(=O)C[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1)c1ccc(Cl)cc1 ZINC000662291095 720410329 /nfs/dbraw/zinc/41/03/29/720410329.db2.gz PBQQLHWEQHMAKG-MAUKXSAKSA-N 2 0 363.933 3.229 20 0 FGADRP C[NH+](C)[C@@H](CNC(=O)c1ccc2c(c1)[C@@H](C[NH3+])CCC2)c1cccs1 ZINC000662347409 720417384 /nfs/dbraw/zinc/41/73/84/720417384.db2.gz FLFANFWHYCYJDT-AEFFLSMTSA-N 2 0 357.523 3.159 20 0 FGADRP CC(C)C[C@H](C[NH3+])CC(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000662425914 720426897 /nfs/dbraw/zinc/42/68/97/720426897.db2.gz OOKIBOVRHYNQNI-KRWDZBQOSA-N 2 0 351.560 3.087 20 0 FGADRP CC[NH+](CC)[C@@H](C(=O)N(C)CC(C)(C)[NH3+])c1cccc(C(F)(F)F)c1 ZINC000662608181 720446007 /nfs/dbraw/zinc/44/60/07/720446007.db2.gz VPTRYHHVKBYHRK-OAHLLOKOSA-N 2 0 359.436 3.284 20 0 FGADRP O=C(Nc1cccc(C[NH+]2CCCCC2)c1)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662683775 720452382 /nfs/dbraw/zinc/45/23/82/720452382.db2.gz TUFBYTLTXRYQRV-QGZVFWFLSA-N 2 0 355.404 3.153 20 0 FGADRP C[NH+]1CCC(N2CCC([NH2+][C@@H]3CCc4cccc(Cl)c4C3)CC2)CC1 ZINC000666086681 720887454 /nfs/dbraw/zinc/88/74/54/720887454.db2.gz WNPOUZVMMIQHMY-GOSISDBHSA-N 2 0 361.961 3.346 20 0 FGADRP Cn1ccc2c1cc[nH+]c2N1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164897083 721522566 /nfs/dbraw/zinc/52/25/66/721522566.db2.gz DPRHYBPLGZUKAO-SJLPKXTDSA-N 2 0 366.440 3.054 20 0 FGADRP CC(C)[NH+]1CCC(O)(C[NH2+]Cc2c(Cl)cccc2OC(F)F)CC1 ZINC000675485338 721757497 /nfs/dbraw/zinc/75/74/97/721757497.db2.gz LHVYLKNLORJOOM-UHFFFAOYSA-N 2 0 362.848 3.266 20 0 FGADRP CC(C)C([NH2+]CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)C(C)C ZINC000678901210 721989358 /nfs/dbraw/zinc/98/93/58/721989358.db2.gz JBNZQAOPIILGBI-UHFFFAOYSA-N 2 0 363.571 3.444 20 0 FGADRP CC[NH+](CC)CCOCC[NH2+][C@H]1CCc2cc(Br)ccc21 ZINC000680469477 722121895 /nfs/dbraw/zinc/12/18/95/722121895.db2.gz MGZGCCMLIAXZHO-KRWDZBQOSA-N 2 0 355.320 3.384 20 0 FGADRP Cc1cc(Br)cn2cc(C[NH2+][C@@H](C)C3CC[NH+](C)CC3)nc12 ZINC000680636044 722141303 /nfs/dbraw/zinc/14/13/03/722141303.db2.gz MCDULEVOCZSVBF-ZDUSSCGKSA-N 2 0 365.319 3.225 20 0 FGADRP CC[NH+]1CCC(C[NH2+][C@H](c2ccc(Cl)cc2)[C@@H]2CN(C)CCO2)CC1 ZINC000681053653 722176953 /nfs/dbraw/zinc/17/69/53/722176953.db2.gz ZBIGAFGLGMDPCN-VQTJNVASSA-N 2 0 365.949 3.033 20 0 FGADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H]2C[C@H]3CC[C@@H]([C@@H]2C)N3C(=O)OC(C)(C)C)C1 ZINC000709293976 722412920 /nfs/dbraw/zinc/41/29/20/722412920.db2.gz XDKQWEBRQQFONT-DZVNLGKHSA-N 2 0 351.535 3.094 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=S)N[C@H](C)c1cccs1 ZINC000726489993 722435543 /nfs/dbraw/zinc/43/55/43/722435543.db2.gz GTNFNKYGKMAGJJ-HZPDHXFCSA-N 2 0 368.616 3.032 20 0 FGADRP C[C@H]1C[C@H](C)C[NH+](CCC[NH2+]C[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000727467388 722444770 /nfs/dbraw/zinc/44/47/70/722444770.db2.gz VTROGIRPHLEBDP-BZSNNMDCSA-N 2 0 353.551 3.344 20 0 FGADRP C[NH+](C)CCOc1ccc(CC[NH2+]Cc2occc2Br)cc1 ZINC000735323094 722515424 /nfs/dbraw/zinc/51/54/24/722515424.db2.gz QRCCHTOUNBIZDJ-UHFFFAOYSA-N 2 0 367.287 3.315 20 0 FGADRP CCc1ccccc1NC(=S)N(CC[NH+](C)C)C[C@H]1CCC[N@H+]1CC ZINC000751011839 722790541 /nfs/dbraw/zinc/79/05/41/722790541.db2.gz PGLLPCYBWXZWKX-GOSISDBHSA-N 2 0 362.587 3.294 20 0 FGADRP CCc1cccc(NC(=S)N(CC[NH+](C)C)C[C@@H]2CCC[N@H+]2CC)c1 ZINC000751010077 722790692 /nfs/dbraw/zinc/79/06/92/722790692.db2.gz HCCBNIWYXCRFKG-IBGZPJMESA-N 2 0 362.587 3.294 20 0 FGADRP Cc1cc(C[NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)cc(C)c1OC(F)F ZINC000762483040 723247528 /nfs/dbraw/zinc/24/75/28/723247528.db2.gz OHCCOAILAKWPSZ-INIZCTEOSA-N 2 0 356.457 3.495 20 0 FGADRP C[NH+](C)CCOc1ccc(C[NH2+][C@@H]2CC[C@H]3SCCS[C@H]23)cc1 ZINC000762612096 723262120 /nfs/dbraw/zinc/26/21/20/723262120.db2.gz CMFVKYOCUYGVGY-KZNAEPCWSA-N 2 0 352.569 3.096 20 0 FGADRP C[NH+](C)CCOc1ccc(C[NH2+]C[C@](C)(O)c2cccc(Cl)c2)cc1 ZINC000764981372 723465466 /nfs/dbraw/zinc/46/54/66/723465466.db2.gz XWJMOFOVEXHVSP-FQEVSTJZSA-N 2 0 362.901 3.278 20 0 FGADRP C[N@@H+]1CCC[C@@H]1CC[NH+](C1CC1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000767426719 723618870 /nfs/dbraw/zinc/61/88/70/723618870.db2.gz LLAISSGKNHPTLB-MRXNPFEDSA-N 2 0 351.535 3.335 20 0 FGADRP CC[NH+](CC)CCCC1CC[NH+](C2CN(C(=O)OC(C)(C)C)C2)CC1 ZINC000769791080 723695579 /nfs/dbraw/zinc/69/55/79/723695579.db2.gz UPRUVBJJJOCJTF-UHFFFAOYSA-N 2 0 353.551 3.440 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@H](O)c2ccc(Cl)c(F)c2)[C@@H](C)C1 ZINC000773135268 723777469 /nfs/dbraw/zinc/77/74/69/723777469.db2.gz CEMVJKBMASJGOI-ZOCIIQOWSA-N 2 0 372.912 3.239 20 0 FGADRP COc1ccc([C@@H](C)[NH2+]C[C@H](O)C(F)(F)F)cc1C[NH+]1CCCCC1 ZINC000775380086 723986717 /nfs/dbraw/zinc/98/67/17/723986717.db2.gz VGWBEQSPWQOPHV-DYVFJYSZSA-N 2 0 360.420 3.255 20 0 FGADRP C[NH+](C)CCOc1ccccc1C[NH2+][C@@H]1CC[C@H]2SCCS[C@H]12 ZINC000775383149 723987404 /nfs/dbraw/zinc/98/74/04/723987404.db2.gz VEXHNVTXQPPSBL-KBAYOESNSA-N 2 0 352.569 3.096 20 0 FGADRP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCC[C@H](CCNC(=O)OC(C)(C)C)C1 ZINC000799358605 724017830 /nfs/dbraw/zinc/01/78/30/724017830.db2.gz NKFGAXQAGBDUPA-MSOLQXFVSA-N 2 0 353.551 3.488 20 0 FGADRP C[NH+](C)CC1CC[NH+](CC[C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000801913900 724344937 /nfs/dbraw/zinc/34/49/37/724344937.db2.gz BVSUYOWMMXFTMN-QGZVFWFLSA-N 2 0 353.551 3.297 20 0 FGADRP Cn1nc(Br)cc1C[NH2+]Cc1ccc(C[NH+]2CCCC2)cc1 ZINC000785412242 724911118 /nfs/dbraw/zinc/91/11/18/724911118.db2.gz CYPROWIFQAZLHN-UHFFFAOYSA-N 2 0 363.303 3.068 20 0 FGADRP C[NH+](C)CCOc1ccc(C[NH2+]C[C@@H](O)c2cc(F)cc(Cl)c2)cc1 ZINC000785612937 724925142 /nfs/dbraw/zinc/92/51/42/724925142.db2.gz AIDKUGNZLFECLG-LJQANCHMSA-N 2 0 366.864 3.243 20 0 FGADRP C[NH+](C)CCOc1ccc(C[NH2+]C[C@H](O)c2cc(F)cc(Cl)c2)cc1 ZINC000785612935 724925185 /nfs/dbraw/zinc/92/51/85/724925185.db2.gz AIDKUGNZLFECLG-IBGZPJMESA-N 2 0 366.864 3.243 20 0 FGADRP CCCC[N@H+](C)C[C@H](C)NC(=O)NC1CCC([NH+]2CCCCC2)CC1 ZINC000812122542 725389097 /nfs/dbraw/zinc/38/90/97/725389097.db2.gz JQJGCQCXLXYKCA-VIQWUECVSA-N 2 0 352.567 3.203 20 0 FGADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)CC[C@H]2C)C1 ZINC000812717854 726806109 /nfs/dbraw/zinc/80/61/09/726806109.db2.gz LVIPJMJRTLYSHG-KURKYZTESA-N 2 0 353.551 3.344 20 0 FGADRP CC[N@@H+]1CCC[C@H](C[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)CC[C@H]2C)C1 ZINC000812720098 726806472 /nfs/dbraw/zinc/80/64/72/726806472.db2.gz YSMHHPPCXGAXQY-KURKYZTESA-N 2 0 353.551 3.344 20 0 FGADRP CC(C)[NH2+]C1CC[NH+](C[C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)CC1 ZINC000813335082 726862692 /nfs/dbraw/zinc/86/26/92/726862692.db2.gz KBDZBRZZDVQKCI-IAGOWNOFSA-N 2 0 353.551 3.484 20 0 FGADRP C[C@H](OC[C@H](O)C[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2)c1ccc(Cl)cc1 ZINC000815145592 727044750 /nfs/dbraw/zinc/04/47/50/727044750.db2.gz ZHFFFTWJRXBPPU-PWIZWCRZSA-N 2 0 366.933 3.196 20 0 FGADRP C[C@H]1C[C@@H](C[NH2+]C2CCC([NH+](C)C)CC2)CCN1C(=O)OC(C)(C)C ZINC000817413917 727248850 /nfs/dbraw/zinc/24/88/50/727248850.db2.gz LYOBFFJNYHUFDH-VYMRPNJYSA-N 2 0 353.551 3.484 20 0 FGADRP CCOC(=O)C1([C@H](C)[NH2+][C@@H](C)c2nc3ccccc3s2)CC[NH2+]CC1 ZINC000817894678 727287062 /nfs/dbraw/zinc/28/70/62/727287062.db2.gz PNSHEFSOJQZAJS-KBPBESRZSA-N 2 0 361.511 3.268 20 0 FGADRP O[C@@H](C[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ccc(Cl)cc1 ZINC000817931128 727288365 /nfs/dbraw/zinc/28/83/65/727288365.db2.gz IJZIKWCTOXIXHD-CMKODMSKSA-N 2 0 358.869 3.219 20 0 FGADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+]C[C@H](O)c2cccc(Br)c2)C1 ZINC000818984346 727334431 /nfs/dbraw/zinc/33/44/31/727334431.db2.gz FIAJAFZFPSWONH-PBHICJAKSA-N 2 0 355.320 3.193 20 0 FGADRP C[C@H](CC[NH+](C)C)[NH2+]C[C@](C)(O)c1ccc(Br)cc1Cl ZINC000819061125 727343457 /nfs/dbraw/zinc/34/34/57/727343457.db2.gz SGCBXZNPXISWLY-ABAIWWIYSA-N 2 0 363.727 3.240 20 0 FGADRP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]C[C@@H](O)c2ccc(F)c(Br)c2)C1 ZINC000819135446 727351071 /nfs/dbraw/zinc/35/10/71/727351071.db2.gz XDHIZFPEAHIDAS-WOSRLPQWSA-N 2 0 359.283 3.084 20 0 FGADRP CC(C)C[N@@H+]1CC[C@H](C[NH2+]C[C@@H](O)c2ccc(F)c(Br)c2)C1 ZINC000819152191 727352926 /nfs/dbraw/zinc/35/29/26/727352926.db2.gz NYCNFHSPPFLYRQ-CXAGYDPISA-N 2 0 373.310 3.189 20 0 FGADRP C[C@](O)(C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1)C(F)(F)F ZINC000819326627 727367541 /nfs/dbraw/zinc/36/75/41/727367541.db2.gz STQPGXPDHUHKOU-FBVQUNGASA-N 2 0 356.432 3.475 20 0 FGADRP O[C@@H](C[NH2+]CCCCC[NH+]1CCCC1)c1ccccc1Br ZINC000819333663 727368129 /nfs/dbraw/zinc/36/81/29/727368129.db2.gz OHIAYMMKRVLSDI-KRWDZBQOSA-N 2 0 355.320 3.338 20 0 FGADRP O[C@@H](C[NH2+]CCCCC[NH+]1CCCC1)c1ccc(F)c(Br)c1 ZINC000819332998 727368187 /nfs/dbraw/zinc/36/81/87/727368187.db2.gz DQFCCUXVKUFSRV-KRWDZBQOSA-N 2 0 373.310 3.477 20 0 FGADRP C[C@H]1CC[C@@H]([NH2+]C2CCC(C[NH+](C)C)CC2)CN1C(=O)OC(C)(C)C ZINC000822465094 729178068 /nfs/dbraw/zinc/17/80/68/729178068.db2.gz ZZSXJUKQFIPBOD-FCCDEINASA-N 2 0 353.551 3.484 20 0 FGADRP CC(C)[NH+](CCC[NH2+]C[C@]12C[C@H]1CN(C(=O)OC(C)(C)C)C2)C(C)C ZINC000823979226 729314668 /nfs/dbraw/zinc/31/46/68/729314668.db2.gz HUHCTLIPHHVPTI-PXNSSMCTSA-N 2 0 353.551 3.342 20 0 FGADRP [NH3+]Cc1cccc(C(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)c1 ZINC000825701688 729392009 /nfs/dbraw/zinc/39/20/09/729392009.db2.gz AEIXEDFRUALUND-IBGZPJMESA-N 2 0 357.885 3.366 20 0 FGADRP C[NH+](C)C1CC[NH+](CCCC2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000827782859 729434738 /nfs/dbraw/zinc/43/47/38/729434738.db2.gz KBLUGFYZRBOBPQ-UHFFFAOYSA-N 2 0 353.551 3.440 20 0 FGADRP C[C@@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000840810123 730177586 /nfs/dbraw/zinc/17/75/86/730177586.db2.gz QBVRVWDTVQKFHU-SJORKVTESA-N 2 0 353.551 3.344 20 0 FGADRP Cc1nn(C)c2nc(Cl)c(C[NH2+][C@@H](CCC[NH3+])c3ccccc3)cc12 ZINC000841086120 730209166 /nfs/dbraw/zinc/20/91/66/730209166.db2.gz DATZVMUMMSOTRX-KRWDZBQOSA-N 2 0 357.889 3.500 20 0 FGADRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000841754898 730271139 /nfs/dbraw/zinc/27/11/39/730271139.db2.gz VTBYEFNVTHKNBM-IBGZPJMESA-N 2 0 352.567 3.046 20 0 FGADRP Ic1ccccc1C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000843126125 730588902 /nfs/dbraw/zinc/58/89/02/730588902.db2.gz GWHIQTJVFPQOOJ-AWEZNQCLSA-N 2 0 370.278 3.113 20 0 FGADRP CC(C)(C)OC(=O)N1CCC2(CC1)CC[NH+](CC1CC[NH2+]CC1)CC2 ZINC000843130111 730589178 /nfs/dbraw/zinc/58/91/78/730589178.db2.gz XNBUCQXNMNVUBP-UHFFFAOYSA-N 2 0 351.535 3.099 20 0 FGADRP Cc1nn(C)c2nc(Cl)c(C[N@@H+]3CCC[C@H]([C@H]4CCC[NH2+]C4)C3)cc12 ZINC000843128892 730589360 /nfs/dbraw/zinc/58/93/60/730589360.db2.gz YOSXAXPFCDUIMQ-GJZGRUSLSA-N 2 0 361.921 3.142 20 0 FGADRP O=C(C[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)Nc1ccc(SC(F)F)cc1 ZINC000843388740 730612748 /nfs/dbraw/zinc/61/27/48/730612748.db2.gz WYPFNLXNCOIRFL-UONOGXRCSA-N 2 0 369.481 3.261 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1nc(-c2ccccc2F)cs1 ZINC000849110648 731230311 /nfs/dbraw/zinc/23/03/11/731230311.db2.gz MPWVALHLBVHFDW-CYBMUJFWSA-N 2 0 361.490 3.047 20 0 FGADRP CCOC(=O)NC1CCC([NH2+]Cc2ccc(F)c(C[NH+](C)C)c2)CC1 ZINC000850435049 731357069 /nfs/dbraw/zinc/35/70/69/731357069.db2.gz GWKNASGGEQEECA-UHFFFAOYSA-N 2 0 351.466 3.034 20 0 FGADRP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+][C@@H]3CCc4nc(Cl)ccc43)cc2)C1 ZINC000850508765 731366346 /nfs/dbraw/zinc/36/63/46/731366346.db2.gz OATWJNNVTOKXMM-SJLPKXTDSA-N 2 0 357.885 3.079 20 0 FGADRP C[C@H]([NH2+]C[C@]12OCCC[C@H]1C2(F)F)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000850535177 731370548 /nfs/dbraw/zinc/37/05/48/731370548.db2.gz VMQKPVASWVHYQT-AITUJVMLSA-N 2 0 350.453 3.301 20 0 FGADRP CC[N@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3c(C)nsc3C)C2)ccn1 ZINC000856584360 732039525 /nfs/dbraw/zinc/03/95/25/732039525.db2.gz IPEYUQFYWADEOD-SFHVURJKSA-N 2 0 360.527 3.260 20 0 FGADRP C[Si](C)(CC[NH+]1CCC12CCOCC2)CC[N@@H+]1CCC12CCOCC2 ZINC000859280664 732303099 /nfs/dbraw/zinc/30/30/99/732303099.db2.gz MYLQECVNKIATRI-UHFFFAOYSA-N 2 0 366.622 3.205 20 0 FGADRP Cc1ccc(C[NH2+]CCCC[NH+]2CCN(C)CC2)c(C)c1Br ZINC000865412019 733194621 /nfs/dbraw/zinc/19/46/21/733194621.db2.gz IGSZKQPGKAUFGH-UHFFFAOYSA-N 2 0 368.363 3.183 20 0 FGADRP C[NH+](C)C1CCC([NH2+]C[C@@H](CC(F)(F)F)NC(=O)OC(C)(C)C)CC1 ZINC000865606165 733236146 /nfs/dbraw/zinc/23/61/46/733236146.db2.gz RLTVCWCVZISULT-ROKHWSDSSA-N 2 0 367.456 3.295 20 0 FGADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]C[C@H]3CC4(CO3)CCOCC4)CC2)C1 ZINC000866532431 733361915 /nfs/dbraw/zinc/36/19/15/733361915.db2.gz LNEXXMCUUWTNHU-YZGWKJHDSA-N 2 0 350.547 3.205 20 0 FGADRP C[N@@H+]1CCC[C@H](C[NH2+][C@H](c2cccc(Br)c2)[C@@H]2CCOC2)C1 ZINC000872035135 735580016 /nfs/dbraw/zinc/58/00/16/735580016.db2.gz LODUDFDKYDGEHP-QGPMSJSTSA-N 2 0 367.331 3.458 20 0 FGADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1cccc(Cl)c1Br ZINC000873107362 735720639 /nfs/dbraw/zinc/72/06/39/735720639.db2.gz PHBGPYJKBDAUFQ-ZDUSSCGKSA-N 2 0 374.754 3.218 20 0 FGADRP C[C@@H](c1ccncc1)N1CCC([NH2+]Cc2cc3c(s2)CC[NH2+]C3)CC1 ZINC000873211485 735738373 /nfs/dbraw/zinc/73/83/73/735738373.db2.gz OUSHMXVDKZRGLM-HNNXBMFYSA-N 2 0 356.539 3.104 20 0 FGADRP Cc1cc(C)n(-c2ccccc2C[NH2+]Cc2cc3c(s2)CC[NH2+]C3)n1 ZINC000873212663 735738698 /nfs/dbraw/zinc/73/86/98/735738698.db2.gz OHNKUSNSOHDKDY-UHFFFAOYSA-N 2 0 352.507 3.486 20 0 FGADRP OCC1(Cc2ccccc2)CC[NH+](Cc2cc3c(s2)CC[NH2+]C3)CC1 ZINC000873211106 735738705 /nfs/dbraw/zinc/73/87/05/735738705.db2.gz VMKMDEPKBZZKAE-UHFFFAOYSA-N 2 0 356.535 3.211 20 0 FGADRP [NH3+]Cc1cn(-c2cccc(C[NH2+][C@H]3CCc4cc(Cl)ccc43)c2)nn1 ZINC000873247347 735743601 /nfs/dbraw/zinc/74/36/01/735743601.db2.gz LIGJKFPNEWZWCJ-IBGZPJMESA-N 2 0 353.857 3.157 20 0 FGADRP CCOC(=O)C1([C@@H](C)[NH2+]CC(CC)(CC)C(F)(F)F)CC[NH2+]CC1 ZINC000873251657 735744087 /nfs/dbraw/zinc/74/40/87/735744087.db2.gz XCLUGRIAMCJEBC-CYBMUJFWSA-N 2 0 352.441 3.266 20 0 FGADRP C[C@@H]([NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2)c1ccc(Br)cc1 ZINC000873289086 735746648 /nfs/dbraw/zinc/74/66/48/735746648.db2.gz DWKMSSCSVVRVSV-CZUORRHYSA-N 2 0 353.304 3.258 20 0 FGADRP CC[C@@H]([NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2)c1ccc(OC(F)F)cc1 ZINC000873290204 735747210 /nfs/dbraw/zinc/74/72/10/735747210.db2.gz OVHYBUZZPYRBJX-IAGOWNOFSA-N 2 0 354.441 3.487 20 0 FGADRP CC[NH2+]Cc1cccc(NC(=O)[C@H]([NH3+])c2cccc(C(F)(F)F)c2)c1 ZINC000876510039 736108854 /nfs/dbraw/zinc/10/88/54/736108854.db2.gz PPRQWXSFISIVKC-MRXNPFEDSA-N 2 0 351.372 3.453 20 0 FGADRP C[NH+](C)C[C@@H](NC(=O)[C@H]1CC[C@H]([NH3+])CC1)c1ccc(Cl)c(Cl)c1 ZINC000877053885 736181286 /nfs/dbraw/zinc/18/12/86/736181286.db2.gz ZLGDIVKWDYPWMJ-AXAPSJFSSA-N 2 0 358.313 3.230 20 0 FGADRP C[NH+](C)C[C@@H]1CN(Cc2csc(-c3ccsc3)n2)C[C@H]1C[NH+](C)C ZINC000877669343 736701873 /nfs/dbraw/zinc/70/18/73/736701873.db2.gz FDKRKXDBUYGUPI-HZPDHXFCSA-N 2 0 364.584 3.043 20 0 FGADRP C[C@H]([NH2+]C[C@H]1CCC2(CCOCC2)CO1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000878411585 736828050 /nfs/dbraw/zinc/82/80/50/736828050.db2.gz LVMDSQILNXDVMU-CMKODMSKSA-N 2 0 350.547 3.205 20 0 FGADRP CN1CCC(CNC(=O)CC(C)(C)CC(F)F)([NH+]2CCCCC2)CC1 ZINC000878986777 736942046 /nfs/dbraw/zinc/94/20/46/736942046.db2.gz XNSFYRHXAYPIIP-UHFFFAOYSA-N 2 0 359.505 3.124 20 0 FGADRP CCS(=O)(=O)c1ccc(C[N@H+](CC(C)C)CC2CC[NH+](C)CC2)cc1 ZINC000879703378 737035345 /nfs/dbraw/zinc/03/53/45/737035345.db2.gz KBOFPBZPHLINOJ-UHFFFAOYSA-N 2 0 366.571 3.280 20 0 FGADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@H+](CCc3ccccc3Br)C2)C1 ZINC000883434749 737566532 /nfs/dbraw/zinc/56/65/32/737566532.db2.gz ZVGGMIIYLCPKDH-JFIYKMOQSA-N 2 0 367.331 3.210 20 0 FGADRP CC(C)[C@H]([NH3+])C(C)(C)C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000884203571 737643239 /nfs/dbraw/zinc/64/32/39/737643239.db2.gz ZRELMAFUFGWRHB-KRWDZBQOSA-N 2 0 351.560 3.086 20 0 FGADRP C[S@](=O)[C@@H]1CCC[C@H]([NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)C1 ZINC000886636084 739277847 /nfs/dbraw/zinc/27/78/47/739277847.db2.gz FWOAIFTYBMEPGV-FSTIHSPYSA-N 2 0 360.567 3.319 20 0 FGADRP CC(C)[C@@H](C[NH2+]C1CC(c2ccc(F)cc2F)C1)N1CC[NH+](C)CC1 ZINC000892534896 740013607 /nfs/dbraw/zinc/01/36/07/740013607.db2.gz AAGUHMUKXDQTFZ-MKJPBZQASA-N 2 0 351.485 3.072 20 0 FGADRP C[NH+](C)CCOc1cccc(C[NH2+]Cc2cnc(CC(F)(F)F)s2)c1 ZINC000892609805 740022941 /nfs/dbraw/zinc/02/29/41/740022941.db2.gz AMFPSBGYIFXDLV-UHFFFAOYSA-N 2 0 373.444 3.478 20 0 FGADRP CC(C)[N@H+](C)Cc1cccc(C[NH2+][C@H]2CCC3(C[C@@H]2F)OCCO3)c1 ZINC000892697405 740033633 /nfs/dbraw/zinc/03/36/33/740033633.db2.gz SDCIYIYYIKOCHQ-OALUTQOASA-N 2 0 350.478 3.250 20 0 FGADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+]CC2(C)CC[NH+](C)CC2)C[C@@H]1C(F)(F)F ZINC000893470362 742157485 /nfs/dbraw/zinc/15/74/85/742157485.db2.gz HOIQOSNCFOEIPX-ZNMIVQPWSA-N 2 0 364.452 3.218 20 0 FGADRP C[NH+]1CCC(C[NH2+]C(C)(C)[C@@H](O)c2ccc(Br)cc2)CC1 ZINC000893603693 742176149 /nfs/dbraw/zinc/17/61/49/742176149.db2.gz YUDRZFJEFLLZOQ-INIZCTEOSA-N 2 0 355.320 3.193 20 0 FGADRP CC[NH+]1CCN([C@@H](C)C[NH2+]Cc2cc3ccnc(Cl)c3s2)CC1 ZINC000894176448 742248979 /nfs/dbraw/zinc/24/89/79/742248979.db2.gz SMCMWRNGFJQMHO-ZDUSSCGKSA-N 2 0 352.935 3.065 20 0 FGADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+]CC[C@@H]2CCC[N@H+](C)C2)C[C@@H]1C(F)(F)F ZINC000894858414 742343495 /nfs/dbraw/zinc/34/34/95/742343495.db2.gz FPRDFLOVJZMSEK-JONQDZQNSA-N 2 0 364.452 3.218 20 0 FGADRP C[C@@H]1C[N@H+](Cc2nc(-c3ccc(C(F)(F)F)cc3)no2)C[C@H]1CC[NH3+] ZINC000903495914 743856250 /nfs/dbraw/zinc/85/62/50/743856250.db2.gz BVKXNACGFXJPMP-DGCLKSJQSA-N 2 0 354.376 3.172 20 0 FGADRP Fc1ccc(C2CC[NH+](C[C@@H]3CC4(CO3)CC[NH2+]CC4)CC2)cc1F ZINC000903730583 743879661 /nfs/dbraw/zinc/87/96/61/743879661.db2.gz XVUPTIUHZFGNPK-KRWDZBQOSA-N 2 0 350.453 3.303 20 0 FGADRP Fc1ccc([C@H]2CCC[N@H+](C[C@H]3CC4(CO3)CC[NH2+]CC4)C2)cc1F ZINC000903769289 743882043 /nfs/dbraw/zinc/88/20/43/743882043.db2.gz BQGSJDGWTQLZBO-DLBZAZTESA-N 2 0 350.453 3.303 20 0 FGADRP CC1CC[NH+](C2CCC([NH2+]C[C@@H](O)CC3(O)CCCCC3)CC2)CC1 ZINC000905179226 743998615 /nfs/dbraw/zinc/99/86/15/743998615.db2.gz IMWLXNZBFQQLDI-MHJFOBGBSA-N 2 0 352.563 3.065 20 0 FGADRP Cc1ccc([C@@H](C)NC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)s1 ZINC000919787717 758475003 /nfs/dbraw/zinc/47/50/03/758475003.db2.gz FQLZPHLMFNZOBJ-MRXNPFEDSA-N 2 0 354.564 3.033 20 0 FGADRP CC(C)[C@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1cnc(C(C)(C)C)s1)C2 ZINC000922388528 758910398 /nfs/dbraw/zinc/91/03/98/758910398.db2.gz QUNZSDBPCSPEPW-NNFUDEMPSA-N 2 0 351.560 3.010 20 0 FGADRP CC(C)[C@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1ncc(C(C)(C)C)s1)C2 ZINC000922391100 758911273 /nfs/dbraw/zinc/91/12/73/758911273.db2.gz RZQKONQSBZDYRO-PHNROFDPSA-N 2 0 351.560 3.010 20 0 FGADRP CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3ccc(Br)o3)C2)[C@@H]1C(C)C ZINC000922393683 758913857 /nfs/dbraw/zinc/91/38/57/758913857.db2.gz SDQFGRFCEKSDLB-JHNDHUHGSA-N 2 0 371.319 3.002 20 0 FGADRP CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]Cc3cc4ccncc4s3)C2)[C@H]1C(C)C ZINC000922396987 758914845 /nfs/dbraw/zinc/91/48/45/758914845.db2.gz ZXTAHDBKWYEDCP-HNBVOPMISA-N 2 0 359.539 3.256 20 0 FGADRP CC(C)COC(=O)N1CCC([NH2+]C2CCC(C)([NH+]3CCC3)CC2)CC1 ZINC000922847499 759014781 /nfs/dbraw/zinc/01/47/81/759014781.db2.gz RVPUGIMSROTJQL-UHFFFAOYSA-N 2 0 351.535 3.240 20 0 FGADRP [NH3+]C[C@@H]1CC2(CO1)CC[NH+](Cc1coc(-c3cccc(Cl)c3)n1)CC2 ZINC000923451468 759120997 /nfs/dbraw/zinc/12/09/97/759120997.db2.gz BFPGVQJUTHXIKS-KRWDZBQOSA-N 2 0 361.873 3.325 20 0 FGADRP COC(=O)c1ccc(-c2nc(C[N@@H+]3CC[C@H](C[NH3+])[C@@H](C)C3)cs2)cc1 ZINC000923499024 759132182 /nfs/dbraw/zinc/13/21/82/759132182.db2.gz QELHUEXAJCSHBJ-XJKSGUPXSA-N 2 0 359.495 3.013 20 0 FGADRP CSc1nnc(CCC[NH2+][C@H]2C[C@@H]([NH3+])CC(C)(C)C2)n1CC(C)C ZINC000925488947 759496507 /nfs/dbraw/zinc/49/65/07/759496507.db2.gz WMPJAGSBUHISNS-CABCVRRESA-N 2 0 353.580 3.084 20 0 FGADRP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@H]2CCN(c3ccc(Br)cc3)C2)C12CCC2 ZINC000925586579 759510391 /nfs/dbraw/zinc/51/03/91/759510391.db2.gz VFZJTSRAEQLTNK-KBRIMQKVSA-N 2 0 364.331 3.135 20 0 FGADRP C[C@H]([NH2+]CC[C@@H]1C[NH2+]C[C@H]1C)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000925797973 759544009 /nfs/dbraw/zinc/54/40/09/759544009.db2.gz IYQYZBJMWHHYGB-SOLBZPMBSA-N 2 0 364.555 3.299 20 0 FGADRP O=C1O[C@H](C[NH2+][C@@H]2CCC[C@H]2c2ccccc2Cl)CC12CC[NH2+]CC2 ZINC000925848707 759557180 /nfs/dbraw/zinc/55/71/80/759557180.db2.gz DEFJSFZEQDJARX-QILLFSRXSA-N 2 0 362.901 3.251 20 0 FGADRP O=C1O[C@@H](C[NH2+][C@@H]2CCSc3ccc(Cl)cc32)CC12CC[NH2+]CC2 ZINC000925852979 759558313 /nfs/dbraw/zinc/55/83/13/759558313.db2.gz JAVAGFMSVNDNAU-UKRRQHHQSA-N 2 0 366.914 3.152 20 0 FGADRP O=C1O[C@H](C[NH2+][C@@H]2CCCCc3ccc(Cl)cc32)CC12CC[NH2+]CC2 ZINC000925854892 759559340 /nfs/dbraw/zinc/55/93/40/759559340.db2.gz SQGZFXPMRQINDB-FUHWJXTLSA-N 2 0 362.901 3.382 20 0 FGADRP CC(C)CC[NH+]1CCC([NH2+]CC2(OCCO)CCC(F)(F)CC2)CC1 ZINC000926751893 759815390 /nfs/dbraw/zinc/81/53/90/759815390.db2.gz DPSOHALSINKRCE-UHFFFAOYSA-N 2 0 362.505 3.044 20 0 FGADRP CC[C@@H]1[C@@H](C(=O)N2CCC(C[NH+](C)Cc3ccsc3)CC2)CC[N@@H+]1C ZINC001029966339 766159107 /nfs/dbraw/zinc/15/91/07/766159107.db2.gz QSRXCTXPKJIUGJ-RBUKOAKNSA-N 2 0 363.571 3.149 20 0 FGADRP Cc1cc(C[NH+]2CCC(C)(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)c(C)s1 ZINC001045445194 766537816 /nfs/dbraw/zinc/53/78/16/766537816.db2.gz YTMGIBHSDJXFQA-CRAIPNDOSA-N 2 0 363.571 3.176 20 0 FGADRP C[C@@H]([NH2+][C@H](CC(N)=O)c1ccccc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000293555302 257380046 /nfs/dbraw/zinc/38/00/46/257380046.db2.gz FLQSRXSSCODFFR-DUXKGJEZSA-N 2 0 351.494 3.103 20 0 FGADRP C[C@@H]([NH3+])[C@H]1CC[N@H+](Cc2cn(Cc3ccccc3)nc2-c2cccnc2)C1 ZINC000097102806 222160313 /nfs/dbraw/zinc/16/03/13/222160313.db2.gz BXELFMDGJJUYMT-XLIONFOSSA-N 2 0 361.493 3.163 20 0 FGADRP Cc1nccn1-c1ccc([C@H](C)[NH2+]C2CC[NH+]([C@H]3CCC[C@H]3O)CC2)cc1 ZINC000540160962 503694448 /nfs/dbraw/zinc/69/44/48/503694448.db2.gz KJXVNIOJRIIVQE-WQTXXOFMSA-N 2 0 368.525 3.209 20 0 FGADRP Cc1ccc(CN(CC[NH+](C)C)C(=O)[C@@H]2CC[N@H+](Cc3ccccc3)C2)o1 ZINC000570823041 505589142 /nfs/dbraw/zinc/58/91/42/505589142.db2.gz DGUXIMIAFZBERM-HXUWFJFHSA-N 2 0 369.509 3.000 20 0 FGADRP C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)Cn2c3ccccc3c3ccccc32)CC[N@@H+]1C ZINC000573676189 505594615 /nfs/dbraw/zinc/59/46/15/505594615.db2.gz BHQTXIRREGBCIC-FGTMMUONSA-N 2 0 351.494 3.228 20 0 FGADRP CC(C)C[NH+]1CCC([NH2+]C[C@H](O)Cc2ccccc2C(F)(F)F)CC1 ZINC000576863279 505611919 /nfs/dbraw/zinc/61/19/19/505611919.db2.gz JBQPPHOBHDUDIS-QGZVFWFLSA-N 2 0 358.448 3.319 20 0 FGADRP CC1CC[NH+]([C@H](CNC(=O)NCC2(C)CC[NH2+]CC2)c2ccccc2)CC1 ZINC000570938769 505616565 /nfs/dbraw/zinc/61/65/65/505616565.db2.gz CHBQKGQVRMVJPC-HXUWFJFHSA-N 2 0 372.557 3.149 20 0 FGADRP c1onc(Cc2ccccc2)c1C[NH2+]C1CCN(Cc2ccncc2)CC1 ZINC000568132441 505624314 /nfs/dbraw/zinc/62/43/14/505624314.db2.gz BGDGKMBXGZTLDW-UHFFFAOYSA-N 2 0 362.477 3.415 20 0 FGADRP C[NH+](C)[C@H](CNC(=O)Nc1ccc2c(c1F)CC[NH2+]C2)c1cccc(F)c1 ZINC000573817951 505628603 /nfs/dbraw/zinc/62/86/03/505628603.db2.gz HJQHDYVTUQVXDF-GOSISDBHSA-N 2 0 374.435 3.035 20 0 FGADRP [NH3+][C@@H]1CCCC[C@H]1CC(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000573839715 505633104 /nfs/dbraw/zinc/63/31/04/505633104.db2.gz GLBJAZWKCIYHFN-PKOBYXMFSA-N 2 0 361.555 3.124 20 0 FGADRP Cc1ccccc1[C@@H]([NH3+])C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000571041294 505639444 /nfs/dbraw/zinc/63/94/44/505639444.db2.gz HBDCZNWEOQZDTP-OAQYLSRUSA-N 2 0 351.494 3.297 20 0 FGADRP C[C@H]([NH2+]C[C@@H]1CC[NH2+][C@H](C)C1)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000573936686 505656163 /nfs/dbraw/zinc/65/61/63/505656163.db2.gz LYZIYFFWOLUWIE-IXDOHACOSA-N 2 0 352.482 3.373 20 0 FGADRP C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@H]3CCc4cncn4C3)cc2)C1 ZINC000577066441 505656429 /nfs/dbraw/zinc/65/64/29/505656429.db2.gz SKFAYYDXLXMCHU-AEFFLSMTSA-N 2 0 352.482 3.316 20 0 FGADRP [NH3+]CCC1CC[NH+](Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)CC1 ZINC000573973376 505664102 /nfs/dbraw/zinc/66/41/02/505664102.db2.gz UTKGGPANKWLBGF-UHFFFAOYSA-N 2 0 352.404 3.452 20 0 FGADRP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](C[C@H](C)c3cc(F)cc(F)c3)C2)CC1 ZINC000580035805 505666705 /nfs/dbraw/zinc/66/67/05/505666705.db2.gz MSAMOSRZQBIFAG-OXJNMPFZSA-N 2 0 351.485 3.169 20 0 FGADRP C[NH+](C)Cc1ccc(NC(=O)[C@H]2CCC[N@H+](Cc3cccnc3)C2)c(F)c1 ZINC000580047538 505669802 /nfs/dbraw/zinc/66/98/02/505669802.db2.gz NPDBKWCOUDEMCT-SFHVURJKSA-N 2 0 370.472 3.133 20 0 FGADRP COc1ccc(C[NH+]2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)c(Cl)c1OC ZINC000577162285 505676816 /nfs/dbraw/zinc/67/68/16/505676816.db2.gz XODUYBWTWJLDAX-DOTOQJQBSA-N 2 0 368.905 3.076 20 0 FGADRP CC[NH+](CC)CC1CC[NH+]([C@H](C)C(=O)N2CCc3sccc3C2)CC1 ZINC000057847547 493808327 /nfs/dbraw/zinc/80/83/27/493808327.db2.gz OJWSSRMGGMTDDB-MRXNPFEDSA-N 2 0 363.571 3.075 20 0 FGADRP Cc1cccc(C[NH2+]Cc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)c1C ZINC000076331118 493867136 /nfs/dbraw/zinc/86/71/36/493867136.db2.gz LMHCDPHCEKAVDG-UHFFFAOYSA-N 2 0 365.521 3.419 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)c1ccc(C[NH+](C)C)cc1 ZINC000076387761 493880645 /nfs/dbraw/zinc/88/06/45/493880645.db2.gz CNMVLFCOEHDYBZ-LJQANCHMSA-N 2 0 365.521 3.485 20 0 FGADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000058880885 493890645 /nfs/dbraw/zinc/89/06/45/493890645.db2.gz AYCNWQDPVQKJFL-RTWAWAEBSA-N 2 0 357.542 3.135 20 0 FGADRP Cc1ccc(OC[C@@H](O)C[NH2+]Cc2cccc(C[NH+]3CCCC3)c2)cc1 ZINC000574071697 505686970 /nfs/dbraw/zinc/68/69/70/505686970.db2.gz JZPBOIDVFBTPMP-NRFANRHFSA-N 2 0 354.494 3.120 20 0 FGADRP CC[NH+](CC)CCOc1ccc(C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)cc1 ZINC000058917638 493893309 /nfs/dbraw/zinc/89/33/09/493893309.db2.gz MIRYMUGYWRRJJI-FQEVSTJZSA-N 2 0 373.541 3.108 20 0 FGADRP Cc1cc(C)n(-c2ccc(C[NH+]3CCC(C[NH+]4CCOCC4)CC3)cc2)n1 ZINC000069028721 493908355 /nfs/dbraw/zinc/90/83/55/493908355.db2.gz KZUCNEPWICDXGS-UHFFFAOYSA-N 2 0 368.525 3.033 20 0 FGADRP C[C@@H]1C[NH+](CC2CC[NH+](CCOc3cccc(F)c3)CC2)C[C@@H](C)O1 ZINC000060368504 493927997 /nfs/dbraw/zinc/92/79/97/493927997.db2.gz OBKWKRLFZVBWAI-IAGOWNOFSA-N 2 0 350.478 3.026 20 0 FGADRP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@@H+](C)C(C2CC2)C2CC2)CC1 ZINC000050988639 493940421 /nfs/dbraw/zinc/94/04/21/493940421.db2.gz HTKJSWRXBUMVNG-UHFFFAOYSA-N 2 0 369.553 3.150 20 0 FGADRP CC[C@H]1CCCC[N@@H+]1CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000051125110 493949513 /nfs/dbraw/zinc/94/95/13/493949513.db2.gz NIAVTIDUUSRSCJ-NRFANRHFSA-N 2 0 357.542 3.340 20 0 FGADRP O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000069724957 494002251 /nfs/dbraw/zinc/00/22/51/494002251.db2.gz FKOAMBRQEJEQRV-MOPGFXCFSA-N 2 0 374.529 3.076 20 0 FGADRP C[NH+](C)C1(CNC(=O)C2CC[NH+](Cc3ccccc3)CC2)CCCCC1 ZINC000063651732 494074844 /nfs/dbraw/zinc/07/48/44/494074844.db2.gz QJJCQZZDQHPSEG-UHFFFAOYSA-N 2 0 357.542 3.279 20 0 FGADRP C[C@@H]1CCC[N@H+](CCCC[NH2+]CCC(=O)Nc2cc(F)cc(F)c2)C1 ZINC000580184722 505698470 /nfs/dbraw/zinc/69/84/70/505698470.db2.gz QFAYQJKTYOJJOW-OAHLLOKOSA-N 2 0 353.457 3.395 20 0 FGADRP Cc1c(F)cccc1NC(=O)CC[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000580184434 505698659 /nfs/dbraw/zinc/69/86/59/505698659.db2.gz AYUKTBBTCNNBKD-UHFFFAOYSA-N 2 0 373.472 3.193 20 0 FGADRP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000085400716 494120918 /nfs/dbraw/zinc/12/09/18/494120918.db2.gz AYDOETGCYIEAEH-XLIONFOSSA-N 2 0 364.578 3.013 20 0 FGADRP CCC[NH+]1CCN(c2ccccc2C[NH2+]C[C@@H](c2ccco2)N(C)C)CC1 ZINC000088669213 494255509 /nfs/dbraw/zinc/25/55/09/494255509.db2.gz JVOYVSUDCNBPON-NRFANRHFSA-N 2 0 370.541 3.204 20 0 FGADRP CCC[NH+]1CCN(c2ccccc2C[NH2+]CCCCn2ccnc2C)CC1 ZINC000088734686 494256905 /nfs/dbraw/zinc/25/69/05/494256905.db2.gz INPMRZKTHAIECR-UHFFFAOYSA-N 2 0 369.557 3.294 20 0 FGADRP Cc1ccccc1C[N@H+]1CCCN(C(=O)NC2CC[NH+](C(C)C)CC2)CC1 ZINC000043168304 494274512 /nfs/dbraw/zinc/27/45/12/494274512.db2.gz OHRVWVGLQCUDCU-UHFFFAOYSA-N 2 0 372.557 3.085 20 0 FGADRP Cc1c[nH+]ccc1N1CCC(C(=O)NCC(C)(C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000073036010 494310021 /nfs/dbraw/zinc/31/00/21/494310021.db2.gz CWEJQBUTBFFWTC-KRWDZBQOSA-N 2 0 372.557 3.233 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1CCCNC(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000043860115 494325605 /nfs/dbraw/zinc/32/56/05/494325605.db2.gz IWUOQXUIABHXPU-LJQANCHMSA-N 2 0 372.557 3.346 20 0 FGADRP O=C(NCCC[NH2+]C1CC[NH+](C2CCCCC2)CC1)c1ccc(F)cc1 ZINC000089583344 494326150 /nfs/dbraw/zinc/32/61/50/494326150.db2.gz NIOIWDUMEPFBOB-UHFFFAOYSA-N 2 0 361.505 3.332 20 0 FGADRP C[NH+](C)CCN(Cc1ccccc1)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000044277519 494346807 /nfs/dbraw/zinc/34/68/07/494346807.db2.gz DPCVMUOVTJKBJG-UHFFFAOYSA-N 2 0 354.498 3.344 20 0 FGADRP CC[NH+]1CCC(CCNC(=O)NCCCC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000073676687 494411964 /nfs/dbraw/zinc/41/19/64/494411964.db2.gz GVDQZSURFPMACX-GOSISDBHSA-N 2 0 352.567 3.062 20 0 FGADRP COc1ccc([C@H](CNC(=O)C[N@H+](C)[C@@H](C)C2CC2)[NH+]2CCCCC2)cc1 ZINC000073800482 494431210 /nfs/dbraw/zinc/43/12/10/494431210.db2.gz GQCPGPHIUOZYOZ-UWJYYQICSA-N 2 0 373.541 3.069 20 0 FGADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@@H]2CC[NH+]([C@@H](C)c3ccccc3)C2)C1 ZINC000073819733 494434453 /nfs/dbraw/zinc/43/44/53/494434453.db2.gz DWZNMIWRMUSDBZ-IRFCIJBXSA-N 2 0 372.557 3.195 20 0 FGADRP CC[NH+](CC)CCCNC(=O)C1CC[NH+](Cc2cc(Cl)cs2)CC1 ZINC000568565363 505723015 /nfs/dbraw/zinc/72/30/15/505723015.db2.gz UBLPMVLTTVYXPG-UHFFFAOYSA-N 2 0 371.978 3.462 20 0 FGADRP CCC[NH+]1CCC(NC(=O)NC[C@H](c2ccc(C)cc2)[NH+]2CCCC2)CC1 ZINC000073918823 494448229 /nfs/dbraw/zinc/44/82/29/494448229.db2.gz ZFSLASYMMGKAST-OAQYLSRUSA-N 2 0 372.557 3.306 20 0 FGADRP C[NH+](C)CCC1CC[NH+](C[C@H](O)CO[C@@H]2CCCc3ccccc32)CC1 ZINC000079492377 494464685 /nfs/dbraw/zinc/46/46/85/494464685.db2.gz HGYHNWKZLOSNNG-RBBKRZOGSA-N 2 0 360.542 3.105 20 0 FGADRP C[NH+]1CCC(Oc2ccc(C[NH2+][C@@H]3COc4ccccc4C3)cc2)CC1 ZINC000577420174 505723568 /nfs/dbraw/zinc/72/35/68/505723568.db2.gz TWRBMJXSRBSBPT-IBGZPJMESA-N 2 0 352.478 3.253 20 0 FGADRP COc1ccc2c(c1)OC[C@@H]([NH2+][C@H](C)c1cccc(OCC[NH+](C)C)c1)C2 ZINC000090964789 494506452 /nfs/dbraw/zinc/50/64/52/494506452.db2.gz UYIOEFIQBLWITP-APWZRJJASA-N 2 0 370.493 3.290 20 0 FGADRP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000568575483 505725878 /nfs/dbraw/zinc/72/58/78/505725878.db2.gz CFMSXOYAEQZLFR-KNQAVFIVSA-N 2 0 372.557 3.023 20 0 FGADRP CC[C@@H](C)[N@H+](C)CCNC(=O)N1CCC(C[NH+](C)Cc2ccccc2)CC1 ZINC000067421421 494538268 /nfs/dbraw/zinc/53/82/68/494538268.db2.gz MKIYJPJLRJSSJD-LJQANCHMSA-N 2 0 374.573 3.270 20 0 FGADRP CN1CCO[C@H]([C@H]([NH2+]CCC2CC[NH+](C)CC2)c2ccc(Cl)cc2)C1 ZINC000131391479 494604050 /nfs/dbraw/zinc/60/40/50/494604050.db2.gz KDGLQKWIMLUKRP-VQTJNVASSA-N 2 0 365.949 3.033 20 0 FGADRP CC[NH+](CC)[C@@H]1CCN(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000080166700 494622729 /nfs/dbraw/zinc/62/27/29/494622729.db2.gz UCMAJBYDBPSIPQ-HLAWJBBLSA-N 2 0 372.557 3.165 20 0 FGADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)N(C)C[C@@H]1CCC[N@H+](C)C1)c1ccccc1 ZINC000115828595 494634434 /nfs/dbraw/zinc/63/44/34/494634434.db2.gz UEVQKDKUFDROMG-QZTJIDSGSA-N 2 0 360.546 3.099 20 0 FGADRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccncc1 ZINC000126165563 494659667 /nfs/dbraw/zinc/65/96/67/494659667.db2.gz OZLDLTXMDSRWNF-UWJYYQICSA-N 2 0 361.493 3.364 20 0 FGADRP CCOC(=O)CC[N@H+](Cc1ccccc1N(C)C1CC[NH+](C)CC1)C1CC1 ZINC000092532324 494661644 /nfs/dbraw/zinc/66/16/44/494661644.db2.gz HRDWPVYXOVULKS-UHFFFAOYSA-N 2 0 373.541 3.135 20 0 FGADRP C[C@@H](NC(=O)C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1)c1cccc2ccccc21 ZINC000574277449 505736425 /nfs/dbraw/zinc/73/64/25/505736425.db2.gz FFWAXIPHQRXVKE-XLIONFOSSA-N 2 0 365.521 3.339 20 0 FGADRP C[NH+](C)Cc1cccc(C(=O)N2CC[C@H]([N@H+](C)Cc3ccccc3)C2)c1 ZINC000075181013 494702696 /nfs/dbraw/zinc/70/26/96/494702696.db2.gz QGOSXFWPGXRQDI-NRFANRHFSA-N 2 0 351.494 3.095 20 0 FGADRP C[NH+](C)CCN(Cc1ccccc1F)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000047505710 494723234 /nfs/dbraw/zinc/72/32/34/494723234.db2.gz METLURLCXFTNIC-UHFFFAOYSA-N 2 0 372.488 3.483 20 0 FGADRP C[NH+]1CCC(C[NH2+]C2CCN(Cc3c(F)cccc3Cl)CC2)CC1 ZINC000126392603 494735016 /nfs/dbraw/zinc/73/50/16/494735016.db2.gz HNAMHPDHJOTDEE-UHFFFAOYSA-N 2 0 353.913 3.375 20 0 FGADRP C[N@@H+]1CCC[C@H](C[NH2+]Cc2cn(C3CCCC3)nc2-c2ccccn2)C1 ZINC000574284967 505738657 /nfs/dbraw/zinc/73/86/57/505738657.db2.gz PTZRSDJZVLBCKN-QGZVFWFLSA-N 2 0 353.514 3.492 20 0 FGADRP CC1CC[NH+](Cc2ccc(CNC(=O)NC[C@@H]3CCC[N@H+](C)C3)cc2)CC1 ZINC000108549532 494735864 /nfs/dbraw/zinc/73/58/64/494735864.db2.gz GYAHJQGBONCWFH-NRFANRHFSA-N 2 0 372.557 3.060 20 0 FGADRP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+](C)Cc1ccccc1 ZINC000025417743 494739400 /nfs/dbraw/zinc/73/94/00/494739400.db2.gz NCDSOEGITDQQAG-LJQANCHMSA-N 2 0 365.521 3.288 20 0 FGADRP Brc1cc2c(c(C[N@@H+]3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)c1)OCC2 ZINC000577492675 505739312 /nfs/dbraw/zinc/73/93/12/505739312.db2.gz NFLOAZOTOSCNRN-HUUCEWRRSA-N 2 0 365.315 3.206 20 0 FGADRP Cc1cc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)ccc1-n1cncn1 ZINC000092066205 494773337 /nfs/dbraw/zinc/77/33/37/494773337.db2.gz KGRYZECIQAFZGB-NQIIRXRSSA-N 2 0 351.498 3.024 20 0 FGADRP C[C@H](CNC(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1)C[NH+]1CCCC1 ZINC000116533739 494809436 /nfs/dbraw/zinc/80/94/36/494809436.db2.gz ISOUQBWDUXSMDJ-MOPGFXCFSA-N 2 0 372.557 3.243 20 0 FGADRP C[C@H](C[NH2+][C@@H](C)c1ccc(Br)cc1F)CN1CC[NH+](C)CC1 ZINC000126703829 494822889 /nfs/dbraw/zinc/82/28/89/494822889.db2.gz GPRGFMNFFFLATI-KGLIPLIRSA-N 2 0 372.326 3.122 20 0 FGADRP CCn1cc([C@@H](C)[NH2+][C@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)cn1 ZINC000126714297 494825358 /nfs/dbraw/zinc/82/53/58/494825358.db2.gz FVXQLZPGWYSUGM-HZPDHXFCSA-N 2 0 359.493 3.206 20 0 FGADRP C[C@@H](C(=O)Nc1ccc(N2CCCC2)cc1)[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000121636353 494826663 /nfs/dbraw/zinc/82/66/63/494826663.db2.gz DFJRRPUUHUSZLK-SFHVURJKSA-N 2 0 372.557 3.278 20 0 FGADRP Cc1nc(C(C)C)sc1[C@@H](C)[NH2+]C[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC000132434456 494873180 /nfs/dbraw/zinc/87/31/80/494873180.db2.gz RVAPEWKQZYCICP-WBVHZDCISA-N 2 0 352.592 3.498 20 0 FGADRP COc1ccc([C@@H](C)[NH2+]C[C@H](C(C)C)N2CC[NH+](C)CC2)cc1Cl ZINC000132447113 494875949 /nfs/dbraw/zinc/87/59/49/494875949.db2.gz ABFPXWFVORPUDX-CRAIPNDOSA-N 2 0 353.938 3.271 20 0 FGADRP COc1ccc([C@H]2C[C@H](C)C[N@@H+]2CC(=O)NC2CC[NH+](C(C)C)CC2)cc1 ZINC000121862663 494877401 /nfs/dbraw/zinc/87/74/01/494877401.db2.gz COOWSOXVQGEHNZ-LAUBAEHRSA-N 2 0 373.541 3.067 20 0 FGADRP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)N2CCC[N@@H+](C(C)(C)C)CC2)C1 ZINC000109482056 494881011 /nfs/dbraw/zinc/88/10/11/494881011.db2.gz LVTKGCNEBPZFJV-QZTJIDSGSA-N 2 0 366.594 3.259 20 0 FGADRP Cc1nccn1-c1ccc([C@@H](C)[NH2+]C[C@@H](C(C)C)N2CC[NH+](C)CC2)cc1 ZINC000132485327 494881741 /nfs/dbraw/zinc/88/17/41/494881741.db2.gz HUQZLKFXEVEANC-GCJKJVERSA-N 2 0 369.557 3.103 20 0 FGADRP Fc1ccc(-c2n[nH]cc2C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)cc1 ZINC000093735078 494915053 /nfs/dbraw/zinc/91/50/53/494915053.db2.gz MIAOWQTWPDHLRD-UHFFFAOYSA-N 2 0 372.488 3.293 20 0 FGADRP Cc1csc(C[NH2+]CCCC[NH+]2CCN(c3cccc(C)c3)CC2)n1 ZINC000117382197 494915728 /nfs/dbraw/zinc/91/57/28/494915728.db2.gz ZRYNPTHMPLLYKD-UHFFFAOYSA-N 2 0 358.555 3.452 20 0 FGADRP COc1ccsc1C[NH+]1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000093844240 494926926 /nfs/dbraw/zinc/92/69/26/494926926.db2.gz WHKPFPXNMYBSCC-HZPDHXFCSA-N 2 0 352.544 3.468 20 0 FGADRP CC[C@H](NC(=O)NC1CC[NH+](C2CCN(C)CC2)CC1)c1ccc(C)cc1 ZINC000127485556 494951492 /nfs/dbraw/zinc/95/14/92/494951492.db2.gz ZRSFTKFLDYLCJX-NRFANRHFSA-N 2 0 372.557 3.304 20 0 FGADRP C[NH+](C)CCCOc1cnccc1C[NH2+][C@@H]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000577557015 505751460 /nfs/dbraw/zinc/75/14/60/505751460.db2.gz RJIOCLNHMQONSJ-MISYRCLQSA-N 2 0 361.530 3.097 20 0 FGADRP C[C@H]([NH2+]Cc1ccc(-n2ccnc2)c(F)c1)c1ccc(S(C)(=O)=O)cc1 ZINC000127898336 495014501 /nfs/dbraw/zinc/01/45/01/495014501.db2.gz GAMWMQSITKNWFX-AWEZNQCLSA-N 2 0 373.453 3.266 20 0 FGADRP NC(=O)C1CC[NH+](Cc2ccc(C[NH2+][C@H]3CCc4ccccc43)cc2)CC1 ZINC000571531325 505755778 /nfs/dbraw/zinc/75/57/78/505755778.db2.gz QZGKZFFLBZWNJD-QFIPXVFZSA-N 2 0 363.505 3.161 20 0 FGADRP CCC[NH+]1CCC(C[NH2+][C@@H](C)c2cc(OC)c(OC)c(OC)c2)CC1 ZINC000122702658 495019202 /nfs/dbraw/zinc/01/92/02/495019202.db2.gz XNHVCEYGMFMWEY-HNNXBMFYSA-N 2 0 350.503 3.485 20 0 FGADRP Cc1ccc(C)c([C@@H]2CCC[N@H+]2CC(=O)NC2CC[NH+](C(C)C)CC2)c1 ZINC000133742705 495055041 /nfs/dbraw/zinc/05/50/41/495055041.db2.gz JZSXXRSHBIFXOC-NRFANRHFSA-N 2 0 357.542 3.429 20 0 FGADRP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+]1CCC2(CCC2)C1 ZINC000123025981 495069127 /nfs/dbraw/zinc/06/91/27/495069127.db2.gz NLJQUOARXJWOLB-GOSISDBHSA-N 2 0 355.526 3.032 20 0 FGADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NC[C@@H]1CCCC[N@@H+]1CC ZINC000111511794 495083551 /nfs/dbraw/zinc/08/35/51/495083551.db2.gz YCZTXYRRUXBGJJ-FQEVSTJZSA-N 2 0 360.546 3.154 20 0 FGADRP c1csc(-c2ncc(C[NH+]3CCC(C[NH+]4CCOCC4)CC3)s2)c1 ZINC000134111352 495107961 /nfs/dbraw/zinc/10/79/61/495107961.db2.gz SUFTUOJLWLTCRX-UHFFFAOYSA-N 2 0 363.552 3.416 20 0 FGADRP CC[C@H]([NH2+]CCCN1CCC[N@H+](C)CC1)c1ccc(OC(F)F)cc1 ZINC000128572833 495118933 /nfs/dbraw/zinc/11/89/33/495118933.db2.gz FROAGILBCLDKNZ-SFHVURJKSA-N 2 0 355.473 3.356 20 0 FGADRP CCC[NH+]1CCC(CNC(=O)NCCCCC[NH+]2CCCCC2)CC1 ZINC000111847516 495120357 /nfs/dbraw/zinc/12/03/57/495120357.db2.gz MXDMZXXFEXYSIY-UHFFFAOYSA-N 2 0 352.567 3.064 20 0 FGADRP CCCC[N@H+](C)CC1CCN(C(=O)NC[C@@H]2CCCC[NH+]2CC)CC1 ZINC000111884038 495125681 /nfs/dbraw/zinc/12/56/81/495125681.db2.gz XYSIRQBWVRDIHA-IBGZPJMESA-N 2 0 352.567 3.014 20 0 FGADRP C[C@H]([NH2+]CCC(=O)NC1CCCCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000128643089 495128262 /nfs/dbraw/zinc/12/82/62/495128262.db2.gz SRRVGDRVLCDUJH-KRWDZBQOSA-N 2 0 361.530 3.117 20 0 FGADRP CC[C@@H](C(=O)Nc1ccc(OC)cc1)[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123473867 495137363 /nfs/dbraw/zinc/13/73/63/495137363.db2.gz QUOCNKCUWNGDOW-FQEVSTJZSA-N 2 0 361.530 3.466 20 0 FGADRP O=C(NC1CC[NH+](C2CCCC2)CC1)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000128838633 495157163 /nfs/dbraw/zinc/15/71/63/495157163.db2.gz FQAWVKAQLGHLKE-UTKZUKDTSA-N 2 0 374.573 3.052 20 0 FGADRP C[NH+](C)CCNC(=O)c1cccc(C[NH2+][C@@H]2CCCc3ccccc32)c1 ZINC000112542223 495203095 /nfs/dbraw/zinc/20/30/95/495203095.db2.gz TYZROIAXTZVCEL-OAQYLSRUSA-N 2 0 351.494 3.145 20 0 FGADRP C[N@H+](CC[C@@H]1CCC[NH+]1C)C1CCN(c2ncnc3ccccc32)CC1 ZINC000129154830 495203785 /nfs/dbraw/zinc/20/37/85/495203785.db2.gz XYXZKSNSRJYEPD-KRWDZBQOSA-N 2 0 353.514 3.015 20 0 FGADRP C[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1)c1ccccc1F ZINC000112545890 495203803 /nfs/dbraw/zinc/20/38/03/495203803.db2.gz LJQZWNZCYLIHBX-LPHOPBHVSA-N 2 0 369.484 3.374 20 0 FGADRP C[NH+](C)CC1CCC(NC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000129420121 495243224 /nfs/dbraw/zinc/24/32/24/495243224.db2.gz JYSBZTARXRTYLB-NYLDSWQDSA-N 2 0 357.542 3.135 20 0 FGADRP CC(C)[NH+]1CCC([NH2+]C[C@H](c2ccc(Cl)cc2)N2CCOCC2)CC1 ZINC000119813982 495247585 /nfs/dbraw/zinc/24/75/85/495247585.db2.gz DDWCLPDJHWZAQG-HXUWFJFHSA-N 2 0 365.949 3.176 20 0 FGADRP C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)N3CC[C@H](C[NH+](C)C)C3)cc2)C1 ZINC000129459460 495247869 /nfs/dbraw/zinc/24/78/69/495247869.db2.gz MEBFNELFJLEVQT-GHTZIAJQSA-N 2 0 372.557 3.012 20 0 FGADRP CC(C)[C@@H](C(=O)NCc1ccccc1CN(C)Cc1ccco1)[NH+](C)C ZINC000129549336 495260622 /nfs/dbraw/zinc/26/06/22/495260622.db2.gz YQNKFESFJBKIHF-FQEVSTJZSA-N 2 0 357.498 3.114 20 0 FGADRP CC(C)[C@@H](C(=O)Nc1ccc(NC(=O)CC[NH+](C)C)cc1)[NH+]1CCCCC1 ZINC000104336835 495279045 /nfs/dbraw/zinc/27/90/45/495279045.db2.gz TYSFLUPXTMANMT-FQEVSTJZSA-N 2 0 374.529 3.026 20 0 FGADRP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@@H]2CCCc2ccccc2)CC1 ZINC000135367227 495283141 /nfs/dbraw/zinc/28/31/41/495283141.db2.gz LDNGFKQZRWRKKN-NRFANRHFSA-N 2 0 357.542 3.074 20 0 FGADRP Cc1nc2c(s1)[C@@H]([NH2+]CC1(N3CCCCC3)CC[NH+](C)CC1)CCC2 ZINC000124740081 495335844 /nfs/dbraw/zinc/33/58/44/495335844.db2.gz KYCIYMBTEXRLLA-KRWDZBQOSA-N 2 0 362.587 3.369 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)NCC2CC[NH+](C)CC2)cc1 ZINC000105112989 495337589 /nfs/dbraw/zinc/33/75/89/495337589.db2.gz GGBCIHWWDWRIFK-GOSISDBHSA-N 2 0 372.557 3.202 20 0 FGADRP C[C@@H](C[NH2+][C@H]1CC2(CCCCC2)Oc2ccccc21)N1CC[NH+](C)CC1 ZINC000130108445 495343142 /nfs/dbraw/zinc/34/31/42/495343142.db2.gz LXUYGJPLKQAHDH-ICSRJNTNSA-N 2 0 357.542 3.439 20 0 FGADRP Cc1cc(N2CCN(C[C@H]3CCCC[N@H+]3C)CC2)c2cc(F)ccc2[nH+]1 ZINC000125146215 495397512 /nfs/dbraw/zinc/39/75/12/495397512.db2.gz NRNZIOHPLUXGNV-GOSISDBHSA-N 2 0 356.489 3.289 20 0 FGADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000136749271 495399257 /nfs/dbraw/zinc/39/92/57/495399257.db2.gz PHUIPEOOYXREOS-NHCUHLMSSA-N 2 0 372.557 3.153 20 0 FGADRP CCc1nc2c(s1)[C@H]([NH2+]Cc1ccc(N3CC[NH+](C)CC3)nc1)CCC2 ZINC000130499040 495401985 /nfs/dbraw/zinc/40/19/85/495401985.db2.gz QBKCDCRWHLTSAU-MRXNPFEDSA-N 2 0 371.554 3.020 20 0 FGADRP C[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)c1cnc2ccsc2c1 ZINC000130520885 495405395 /nfs/dbraw/zinc/40/53/95/495405395.db2.gz VONKDEXYHFFSOI-OAHLLOKOSA-N 2 0 367.522 3.294 20 0 FGADRP CC(C)(C)CC[NH+]1CCN(CCN2CC[NH+](CCC(C)(C)C)CC2)CC1 ZINC000114715469 495414965 /nfs/dbraw/zinc/41/49/65/495414965.db2.gz WRZMKKMUVFGEOZ-UHFFFAOYSA-N 2 0 366.638 3.094 20 0 FGADRP Cc1cccc(N2CC[NH+](CCCC[NH2+]C3CC[NH+](C(C)C)CC3)CC2)c1 ZINC000125339131 495428845 /nfs/dbraw/zinc/42/88/45/495428845.db2.gz VUUMLOLVMHTKQT-UHFFFAOYSA-N 3 0 372.601 3.360 20 0 FGADRP COc1ccc(C[NH+]2CCC(C[NH2+][C@@H]3C[C@H](C)[N@H+](C)C[C@H]3C)CC2)cc1 ZINC000120674753 495432206 /nfs/dbraw/zinc/43/22/06/495432206.db2.gz NHDIJKSOXAQBRU-KGVIQGDOSA-N 3 0 359.558 3.226 20 0 FGADRP CCC[NH+]1CCC(N(C)C(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000114834545 495433786 /nfs/dbraw/zinc/43/37/86/495433786.db2.gz CZWXUMCIUYIBRJ-NRFANRHFSA-N 2 0 372.557 3.167 20 0 FGADRP CC(C)[NH+]1CCC(NC(=O)NC[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC000137426613 495440808 /nfs/dbraw/zinc/44/08/08/495440808.db2.gz IYGLZYXZQVFFSD-AZUAARDMSA-N 2 0 372.557 3.069 20 0 FGADRP C[NH+](C)CC1CCC(NC(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)CC1 ZINC000137671997 495448521 /nfs/dbraw/zinc/44/85/21/495448521.db2.gz IZFQBIYHAONZFN-MNLRITNHSA-N 2 0 372.557 3.243 20 0 FGADRP CCOc1ccccc1NC(=O)CC[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000137685050 495448545 /nfs/dbraw/zinc/44/85/45/495448545.db2.gz IPWZTCSRDVDHCX-SFHVURJKSA-N 2 0 359.514 3.222 20 0 FGADRP CC(C)[C@@H](CNC(=O)N1CCCC[C@@H]1c1ncc[nH]1)[NH+]1CCC(C)CC1 ZINC000106529713 495463280 /nfs/dbraw/zinc/46/32/80/495463280.db2.gz RNJRYKZSPUNVDH-QZTJIDSGSA-N 2 0 361.534 3.403 20 0 FGADRP O=C(N[C@@H](C[NH+]1CCCC1)c1ccccc1)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000106530846 495464032 /nfs/dbraw/zinc/46/40/32/495464032.db2.gz RZUMEAINVLIESG-FPOVZHCZSA-N 2 0 370.541 3.140 20 0 FGADRP C[C@H](CN[C@H](C)c1ccc(S(C)(=O)=O)c(F)c1)C[NH+]1CCCCC1 ZINC000125607559 495470009 /nfs/dbraw/zinc/47/00/09/495470009.db2.gz YTVVCJHYUUFLIP-HUUCEWRRSA-N 2 0 356.507 3.002 20 0 FGADRP Cc1ccc(OC(F)F)c([C@H](C)[NH2+]C[C@@H](C)CN2CC[NH+](C)CC2)c1 ZINC000120858376 495472869 /nfs/dbraw/zinc/47/28/69/495472869.db2.gz DAUJGHOASINWCN-CVEARBPZSA-N 2 0 355.473 3.131 20 0 FGADRP C[C@H](C[NH2+][C@@H](C)[C@@H](C)c1nc2ccccc2s1)CN1CC[NH+](C)CC1 ZINC000120931753 495487594 /nfs/dbraw/zinc/48/75/94/495487594.db2.gz PECZFKSUVWIKOU-ZACQAIPSSA-N 2 0 360.571 3.261 20 0 FGADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H](C)c2ccc(Br)c(F)c2)CC1 ZINC000131140772 495497324 /nfs/dbraw/zinc/49/73/24/495497324.db2.gz WJWOBDLQXOSKFV-UONOGXRCSA-N 2 0 372.326 3.265 20 0 FGADRP CC[NH+]1CCN([C@H]2CC[N@H+](CCOc3ccc(C(C)C)c(C)c3)C2)CC1 ZINC000107369695 495526213 /nfs/dbraw/zinc/52/62/13/495526213.db2.gz OLLWEJYOSIXVDS-FQEVSTJZSA-N 2 0 359.558 3.209 20 0 FGADRP C[C@@H]1C[C@@H](C)C[NH+](CCCC[NH2+]C2CCN(C(=O)c3ccco3)CC2)C1 ZINC000158604619 495547480 /nfs/dbraw/zinc/54/74/80/495547480.db2.gz CAQPPVHHBFWLJJ-QZTJIDSGSA-N 2 0 361.530 3.232 20 0 FGADRP CC[NH+]1CCN(CCC[NH2+][C@@H](C)c2cc(Cl)c(OC)cc2OC)CC1 ZINC000154313872 495577602 /nfs/dbraw/zinc/57/76/02/495577602.db2.gz GWBQRBOBWOYDHV-HNNXBMFYSA-N 2 0 369.937 3.035 20 0 FGADRP CCC[NH+]1CCC(N(C)C(=O)NC[C@@H](c2ccc(CC)cc2)[NH+](C)C)CC1 ZINC000170756369 495592527 /nfs/dbraw/zinc/59/25/27/495592527.db2.gz KJHQPBPMMOUPAR-NRFANRHFSA-N 2 0 374.573 3.368 20 0 FGADRP C[C@H](CNC(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)C[NH+]1CCCCC1 ZINC000182547983 495610036 /nfs/dbraw/zinc/61/00/36/495610036.db2.gz UOFSFQPHQXNTHU-CEXWTWQISA-N 2 0 364.578 3.061 20 0 FGADRP C[N@@H+]1CCC[C@H]2C[NH+](CCOc3ccc(OC(F)(F)F)cc3)CC[C@@H]21 ZINC000158946678 495622238 /nfs/dbraw/zinc/62/22/38/495622238.db2.gz QSIKDCPIKALGNN-YOEHRIQHSA-N 2 0 358.404 3.380 20 0 FGADRP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)C[C@@H](O)COc3ccccc3)C2)s1 ZINC000568853094 505793635 /nfs/dbraw/zinc/79/36/35/505793635.db2.gz XIBYGXCTMGQMAC-RTBURBONSA-N 2 0 374.550 3.250 20 0 FGADRP CCc1nc2c(s1)[C@@H]([NH2+]CCCCN1CC[NH+](CC)CC1)CCC2 ZINC000154494618 495635265 /nfs/dbraw/zinc/63/52/65/495635265.db2.gz CFXBJYSEYVPCFX-INIZCTEOSA-N 2 0 350.576 3.090 20 0 FGADRP CC[NH+](CC)CCCC1CCN(C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000182638712 495645685 /nfs/dbraw/zinc/64/56/85/495645685.db2.gz POFBVDRHYVMQLZ-WOJBJXKFSA-N 2 0 366.594 3.403 20 0 FGADRP CC[C@@H]1[C@@H](C)CC[N@@H+]1CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000185631676 495654055 /nfs/dbraw/zinc/65/40/55/495654055.db2.gz KEQKMWZYKKRJGZ-QFBILLFUSA-N 2 0 361.555 3.294 20 0 FGADRP COC[C@H]([NH2+]CCCC[NH+]1C[C@H](C)O[C@@H](C)C1)c1ccc(F)c(F)c1 ZINC000182666101 495655216 /nfs/dbraw/zinc/65/52/16/495655216.db2.gz GPDCODMUXAYVQU-DOXZYTNZSA-N 2 0 356.457 3.131 20 0 FGADRP Cc1sc2nc([C@@H](C)N3CC[C@H](C[NH+]4CCCC4)C3)nc(N)c2c1C ZINC000150852653 495656265 /nfs/dbraw/zinc/65/62/65/495656265.db2.gz IMBOMDAEWVSPRG-UKRRQHHQSA-N 2 0 359.543 3.369 20 0 FGADRP O[C@@H](COc1c(Cl)cccc1Cl)CN1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150852590 495656430 /nfs/dbraw/zinc/65/64/30/495656430.db2.gz PVUQJBAXEDWADL-HUUCEWRRSA-N 2 0 373.324 3.151 20 0 FGADRP CN(c1ccccc1CN1CCC[C@@H]1C[NH+]1CCCC1)C1CC[NH+](C)CC1 ZINC000179645380 495674775 /nfs/dbraw/zinc/67/47/75/495674775.db2.gz MCJYFTNPKOPVSX-JOCHJYFZSA-N 2 0 370.585 3.277 20 0 FGADRP Cc1cccc(C[C@H]([NH2+]Cc2ccnc(N3CC[NH+](C)CC3)c2)C2CC2)c1 ZINC000159205145 495682787 /nfs/dbraw/zinc/68/27/87/495682787.db2.gz JCPWDEXRFBZBFN-QFIPXVFZSA-N 2 0 364.537 3.253 20 0 FGADRP C[C@@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)c1cc2ccccc2o1 ZINC000159207052 495684310 /nfs/dbraw/zinc/68/43/10/495684310.db2.gz NGWNGEDIKLNLHX-MRXNPFEDSA-N 2 0 350.466 3.430 20 0 FGADRP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+]2CC[C@H](C)[C@H](C)C2)CC1 ZINC000179686990 495690530 /nfs/dbraw/zinc/69/05/30/495690530.db2.gz ISBKHUHWDWPVJO-PKOBYXMFSA-N 2 0 357.542 3.054 20 0 FGADRP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)N(Cc2ccccc2)C2CC[NH+](C)CC2)C1 ZINC000176611241 495720633 /nfs/dbraw/zinc/72/06/33/495720633.db2.gz NEURQADTXBDVRC-TZIWHRDSSA-N 2 0 372.557 3.165 20 0 FGADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000173858536 495722515 /nfs/dbraw/zinc/72/25/15/495722515.db2.gz GXPIOQBGIPUPAH-FPOVZHCZSA-N 2 0 372.557 3.024 20 0 FGADRP COCC1=CC[NH+](Cc2ccc(C[N@H+]3CC=C(COC)CC3)cc2)CC1 ZINC000185819795 495735781 /nfs/dbraw/zinc/73/57/81/495735781.db2.gz HSZYKGZOMKJBCL-UHFFFAOYSA-N 2 0 356.510 3.244 20 0 FGADRP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000171174192 495753980 /nfs/dbraw/zinc/75/39/80/495753980.db2.gz URKLHCNEROXYHH-QZTJIDSGSA-N 2 0 364.578 3.061 20 0 FGADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1cc(Cl)ccc1Br ZINC000185863424 495755697 /nfs/dbraw/zinc/75/56/97/495755697.db2.gz UQBLRZJUFQNOIL-CYBMUJFWSA-N 2 0 374.754 3.218 20 0 FGADRP CCN(C(=O)[C@@H](C)[NH+]1CCC(OCC[NH+]2CCCC2)CC1)c1ccccc1 ZINC000173956091 495764151 /nfs/dbraw/zinc/76/41/51/495764151.db2.gz HETONIQHXUYPOI-LJQANCHMSA-N 2 0 373.541 3.005 20 0 FGADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](Cc1cccc(F)c1)c1cccc(F)c1 ZINC000154903764 495766769 /nfs/dbraw/zinc/76/67/69/495766769.db2.gz BBQUVLVMAFSQTM-JTSKRJEESA-N 2 0 373.491 3.474 20 0 FGADRP C[N@@H+]1CC[C@H]([NH2+]Cc2cc(Cl)ccc2N2CCOCC2)[C@@H]2CCC[C@H]21 ZINC000577847181 505804113 /nfs/dbraw/zinc/80/41/13/505804113.db2.gz ZSZDVIOSQMDUFZ-CMKODMSKSA-N 2 0 363.933 3.139 20 0 FGADRP CCCC[N@H+](C)CC1CCN(C(=O)Cn2c(C)nc3ccccc32)CC1 ZINC000171319077 495819457 /nfs/dbraw/zinc/81/94/57/495819457.db2.gz NARCYXUNUWPHDN-UHFFFAOYSA-N 2 0 356.514 3.315 20 0 FGADRP Cc1nc(-c2ccccc2)sc1[C@H](C)[NH2+][C@H](C)CN1CC[NH+](C)CC1 ZINC000155071258 495825281 /nfs/dbraw/zinc/82/52/81/495825281.db2.gz YPEJCQYWQXESGN-CVEARBPZSA-N 2 0 358.555 3.405 20 0 FGADRP C[C@@H]([NH2+]Cc1cccnc1-n1cccn1)c1ccc(OCC[NH+](C)C)cc1 ZINC000151441343 495841082 /nfs/dbraw/zinc/84/10/82/495841082.db2.gz ONIKOCFAKBZTEY-QGZVFWFLSA-N 2 0 365.481 3.059 20 0 FGADRP CC(C)C(=O)NCCC[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000183155804 495859849 /nfs/dbraw/zinc/85/98/49/495859849.db2.gz UNJUPVGWFATFQQ-QHAWAJNXSA-N 2 0 357.542 3.039 20 0 FGADRP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]CCc2ccccc2O)CC1 ZINC000180116708 495864924 /nfs/dbraw/zinc/86/49/24/495864924.db2.gz XISIQFCYUDQMHQ-UHFFFAOYSA-N 2 0 359.901 3.130 20 0 FGADRP COc1ccccc1-c1ccc(C[NH2+]CCN2CCC([NH+](C)C)CC2)cc1 ZINC000176989047 495872529 /nfs/dbraw/zinc/87/25/29/495872529.db2.gz RVCUMUNUQMJPEN-UHFFFAOYSA-N 2 0 367.537 3.478 20 0 FGADRP C[C@@H]([NH2+]CCCN1CCC[C@@H]1C(=O)N(C)C)c1cccc(C(F)(F)F)c1 ZINC000155333483 495922857 /nfs/dbraw/zinc/92/28/57/495922857.db2.gz MLKAXMAPSWUCKA-RHSMWYFYSA-N 2 0 371.447 3.299 20 0 FGADRP COC(=O)COc1ccccc1[C@H](C)[NH2+]Cc1ccc(C[NH+](C)C)cc1 ZINC000183308716 495924897 /nfs/dbraw/zinc/92/48/97/495924897.db2.gz QZRMHKVLVWKMEN-INIZCTEOSA-N 2 0 356.466 3.151 20 0 FGADRP C[C@@H]1C[NH+](CCCC[NH2+]Cc2c[nH]nc2-c2ccccc2F)C[C@@H](C)O1 ZINC000151780429 495945636 /nfs/dbraw/zinc/94/56/36/495945636.db2.gz LUUHUOBMQSSUSZ-HZPDHXFCSA-N 2 0 360.477 3.195 20 0 FGADRP C[C@@H]1C[N@@H+](CCCC[NH2+]Cc2ccc(Oc3cnccn3)cc2)C[C@H](C)O1 ZINC000174414001 495947751 /nfs/dbraw/zinc/94/77/51/495947751.db2.gz VZYWLPHKXLZECP-HDICACEKSA-N 2 0 370.497 3.248 20 0 FGADRP Cn1ccnc1[C@@H]([NH2+]CCc1ccc(OCC[NH+]2CCCC2)cc1)C1CC1 ZINC000183368506 495949049 /nfs/dbraw/zinc/94/90/49/495949049.db2.gz FEWFVEDHZKKCGV-NRFANRHFSA-N 2 0 368.525 3.178 20 0 FGADRP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+](C)[C@@H](C)C2(C)CC2)CC1 ZINC000177248679 495993431 /nfs/dbraw/zinc/99/34/31/495993431.db2.gz YGPUCJJJIJOREC-SFHVURJKSA-N 2 0 357.542 3.196 20 0 FGADRP [NH3+]Cc1ccc(C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)cc1 ZINC000186468729 496009859 /nfs/dbraw/zinc/00/98/59/496009859.db2.gz QVHXCOAZDLSQSL-YADHBBJMSA-N 2 0 363.505 3.272 20 0 FGADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H]2CCSc3ccc(Cl)cc32)CC1 ZINC000155639003 496021627 /nfs/dbraw/zinc/02/16/27/496021627.db2.gz JISWRYHXAYMNQE-WMLDXEAASA-N 2 0 353.963 3.493 20 0 FGADRP CCC[NH+]1CCC(C[NH2+][C@H](CN2CCOCC2)c2ccccc2C)CC1 ZINC000183555070 496029350 /nfs/dbraw/zinc/02/93/50/496029350.db2.gz AYYLVFJVBFJUNV-JOCHJYFZSA-N 2 0 359.558 3.080 20 0 FGADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H](C)c2sc(-c3cccnc3)nc2C)CC1 ZINC000155672829 496032486 /nfs/dbraw/zinc/03/24/86/496032486.db2.gz GBJSRLNTEFIFBI-HOTGVXAUSA-N 2 0 373.570 3.190 20 0 FGADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1cc(Br)ccc1F ZINC000186564192 496047220 /nfs/dbraw/zinc/04/72/20/496047220.db2.gz APKVPHAVKQHHLX-KBPBESRZSA-N 2 0 372.326 3.265 20 0 FGADRP CC[NH+]1CCC(CC[NH2+][C@H](CN2CCOCC2)c2ccccc2C)CC1 ZINC000183675494 496074066 /nfs/dbraw/zinc/07/40/66/496074066.db2.gz PIIVFRDLBKMKNU-JOCHJYFZSA-N 2 0 359.558 3.080 20 0 FGADRP C[NH+](C)[C@H](CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)c1ccc(F)cc1 ZINC000177684275 496158397 /nfs/dbraw/zinc/15/83/97/496158397.db2.gz SIVQNMMYAXQKNB-YLJYHZDGSA-N 2 0 361.505 3.199 20 0 FGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]Cc2ccc(Oc3ccccc3)o2)CC1 ZINC000180871748 496181264 /nfs/dbraw/zinc/18/12/64/496181264.db2.gz KPGIYAUMLKFGOX-SFHVURJKSA-N 2 0 357.498 3.435 20 0 FGADRP CCOc1ccc([C@@H](C)[NH2+]Cc2ccc(N3CC[NH+](C)CC3)nc2)cc1 ZINC000177827991 496212770 /nfs/dbraw/zinc/21/27/70/496212770.db2.gz DIDISAFLRGIWSO-QGZVFWFLSA-N 2 0 354.498 3.083 20 0 FGADRP CCCC[N@H+](C)CC1CC[NH+](CCC(=O)Nc2ccc(OC)cc2)CC1 ZINC000172265369 496235564 /nfs/dbraw/zinc/23/55/64/496235564.db2.gz TZQNILAAYCYBDO-UHFFFAOYSA-N 2 0 361.530 3.468 20 0 FGADRP CCc1nc(CN2CCC(C[NH2+][C@@H]3C[C@H](C)[N@H+](C)C[C@@H]3C)CC2)cs1 ZINC000161780372 496237155 /nfs/dbraw/zinc/23/71/55/496237155.db2.gz OCICMPDKYJMKIE-TXPKVOOTSA-N 2 0 364.603 3.236 20 0 FGADRP CC(=O)Nc1cccc([C@H](C)[NH2+]C2CCN(CCc3ccncc3)CC2)c1 ZINC000152809925 496262616 /nfs/dbraw/zinc/26/26/16/496262616.db2.gz FLGHJRFBPPLKHM-KRWDZBQOSA-N 2 0 366.509 3.398 20 0 FGADRP CN(CCC[NH+]1CCCCC1)[C@@H](CO)c1cccc(Br)c1 ZINC000162183232 496310655 /nfs/dbraw/zinc/31/06/55/496310655.db2.gz LUGOOLKAEYTKAN-KRWDZBQOSA-N 2 0 355.320 3.290 20 0 FGADRP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@H]1CCCC[NH+]1CC ZINC000175279490 496320811 /nfs/dbraw/zinc/32/08/11/496320811.db2.gz QCSUTTCWOYGYFG-RTWAWAEBSA-N 2 0 357.542 3.231 20 0 FGADRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCC[NH+](C3CCCC3)CC2)C1 ZINC000172562627 496341717 /nfs/dbraw/zinc/34/17/17/496341717.db2.gz OZAAMJXYPRDQHM-GOSISDBHSA-N 2 0 364.578 3.157 20 0 FGADRP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000181294993 496343896 /nfs/dbraw/zinc/34/38/96/496343896.db2.gz SBYBWIZUZKNHKZ-GOSISDBHSA-N 2 0 368.525 3.068 20 0 FGADRP O=C(NCCCCC[NH+]1CCCCC1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000172608064 496361429 /nfs/dbraw/zinc/36/14/29/496361429.db2.gz LSSGLQZURXTTFK-UHFFFAOYSA-N 2 0 364.578 3.303 20 0 FGADRP C[C@H]([NH2+]CCc1ccc2c(c1)OCCO2)c1cccc(OCC[NH+](C)C)c1 ZINC000178204692 496368985 /nfs/dbraw/zinc/36/89/85/496368985.db2.gz BFBVSSDETJYFJI-KRWDZBQOSA-N 2 0 370.493 3.292 20 0 FGADRP C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)c1cccc(C[NH+](C)C)c1 ZINC000172717325 496399404 /nfs/dbraw/zinc/39/94/04/496399404.db2.gz KIVDRXBYNMOIRF-UHFFFAOYSA-N 2 0 357.473 3.091 20 0 FGADRP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCCCC[NH+]1CCCC1 ZINC000175515132 496421663 /nfs/dbraw/zinc/42/16/63/496421663.db2.gz XSKQRJAVUSUKOM-NRFANRHFSA-N 2 0 372.557 3.026 20 0 FGADRP C[C@H]([NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1cccc(N2CCCC2=O)c1 ZINC000162858295 496424549 /nfs/dbraw/zinc/42/45/49/496424549.db2.gz BSYUOYSJBOMWBN-QRVBRYPASA-N 2 0 373.541 3.353 20 0 FGADRP CCC[N@@H+]1CC[C@@H](CNC(=O)N(CC)[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000157261791 496440541 /nfs/dbraw/zinc/44/05/41/496440541.db2.gz DPWAURXDFKGFAI-LEWJYISDSA-N 2 0 372.557 3.024 20 0 FGADRP C[NH+](C)[C@H](CNC(=O)NC1CC[NH+](C2CCCC2)CC1)C1CCCCC1 ZINC000175605928 496461861 /nfs/dbraw/zinc/46/18/61/496461861.db2.gz CUDAZMLYDCSHOP-HXUWFJFHSA-N 2 0 364.578 3.203 20 0 FGADRP CC(=O)Nc1ccc(C[NH2+][C@H](C)c2ccc(OCC[NH+](C)C)cc2)cc1 ZINC000178485229 496471813 /nfs/dbraw/zinc/47/18/13/496471813.db2.gz YOYWZTALAFZASX-MRXNPFEDSA-N 2 0 355.482 3.436 20 0 FGADRP C[NH+](C)Cc1cccc(NC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000163218644 496483591 /nfs/dbraw/zinc/48/35/91/496483591.db2.gz YBIPIFXPPOPZTN-YLJYHZDGSA-N 2 0 356.514 3.229 20 0 FGADRP CCC(CC)(C[NH3+])C(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000571925408 505846983 /nfs/dbraw/zinc/84/69/83/505846983.db2.gz WTMWLFQFOQKPSF-KRWDZBQOSA-N 2 0 351.922 3.358 20 0 FGADRP C[C@@H](NC(=O)c1ccccc1OCC[NH+](C)C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181662580 496491755 /nfs/dbraw/zinc/49/17/55/496491755.db2.gz DCFQTWXKEBKXHX-MSOLQXFVSA-N 2 0 373.541 3.010 20 0 FGADRP CCO[C@H]1C[C@H]([NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)C12CCC2 ZINC000181707633 496511233 /nfs/dbraw/zinc/51/12/33/496511233.db2.gz JVPCDIOHDOFWLP-SFTDATJTSA-N 2 0 358.526 3.081 20 0 FGADRP Cc1ccccc1C[NH+]1CCC(NC(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000175730080 496518601 /nfs/dbraw/zinc/51/86/01/496518601.db2.gz ATHQMKGHXVMGSW-NHCUHLMSSA-N 2 0 372.557 3.131 20 0 FGADRP CCC[NH+]1CCC(CNC(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)CC1 ZINC000157629479 496519489 /nfs/dbraw/zinc/51/94/89/496519489.db2.gz AUGOERGXFONBQH-NRFANRHFSA-N 2 0 372.557 3.245 20 0 FGADRP CC(C)(C)NC(=O)C[NH+]1CCC(C[NH2+][C@H]2CCCc3ccccc32)CC1 ZINC000163538633 496529708 /nfs/dbraw/zinc/52/97/08/496529708.db2.gz JXBXJSBECJZBBD-FQEVSTJZSA-N 2 0 357.542 3.280 20 0 FGADRP CCC[NH+]1CCC(CNC(=O)NCc2ccc(C[NH+](CC)CC)cc2)CC1 ZINC000157690189 496530784 /nfs/dbraw/zinc/53/07/84/496530784.db2.gz KZHWYKKSYSTUJS-UHFFFAOYSA-N 2 0 374.573 3.450 20 0 FGADRP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1CCC(=O)N[C@H](c1cccs1)c1ccccc1 ZINC000580841515 505850512 /nfs/dbraw/zinc/85/05/12/505850512.db2.gz RQJFPYIEQUROEB-SYNHAJSKSA-N 2 0 357.523 3.155 20 0 FGADRP [NH3+][C@@H]1CCCCCC[C@H]1C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000178731663 496554119 /nfs/dbraw/zinc/55/41/19/496554119.db2.gz HSFVRZPCTIPZSB-NHCUHLMSSA-N 2 0 357.542 3.313 20 0 FGADRP Cc1ccc([C@@H](CNC(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)[NH+](C)C)cc1 ZINC000157907388 496581922 /nfs/dbraw/zinc/58/19/22/496581922.db2.gz GRACMIFPASIQII-LEWJYISDSA-N 2 0 372.557 3.258 20 0 FGADRP COCC[N@H+](C)CCC[NH2+]C1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000153799787 496584434 /nfs/dbraw/zinc/58/44/34/496584434.db2.gz LXZFTTBUFYCKRC-UHFFFAOYSA-N 2 0 371.928 3.001 20 0 FGADRP C[NH+]1CCN(c2ncccc2C[NH2+][C@@H]2CC[C@](C)(c3ccccc3)C2)CC1 ZINC000187856216 496596929 /nfs/dbraw/zinc/59/69/29/496596929.db2.gz RNTBVNOJMTVXPB-GGAORHGYSA-N 2 0 364.537 3.433 20 0 FGADRP Cc1cccnc1[C@@H]([NH2+]CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)C(C)C ZINC000184984995 496611878 /nfs/dbraw/zinc/61/18/78/496611878.db2.gz KHGVPWNBVLAHBJ-FPOVZHCZSA-N 2 0 368.525 3.096 20 0 FGADRP O=C([C@@H]1CCCCC[NH2+]1)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000578071319 505855101 /nfs/dbraw/zinc/85/51/01/505855101.db2.gz POANMHIZXAVGKY-FQEVSTJZSA-N 2 0 355.526 3.033 20 0 FGADRP C[C@H]1CCCC[N@H+](CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)C1 ZINC000187948351 496627930 /nfs/dbraw/zinc/62/79/30/496627930.db2.gz OXDIODKPQLVXSS-KRWDZBQOSA-N 2 0 361.555 3.296 20 0 FGADRP CCC[NH+]1CCC([NH2+][C@H]2CCN(c3ccc(Br)cc3)C2)CC1 ZINC000164722918 496628961 /nfs/dbraw/zinc/62/89/61/496628961.db2.gz WUIOSIASXMOYGI-KRWDZBQOSA-N 2 0 366.347 3.492 20 0 FGADRP C[C@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000158110257 496629629 /nfs/dbraw/zinc/62/96/29/496629629.db2.gz SUCZGGPPRIMPOF-KGLIPLIRSA-N 2 0 357.420 3.354 20 0 FGADRP CSc1ccc([C@@H](C)[NH2+]Cc2cccnc2N2CC[NH+](C)CC2)cc1 ZINC000173356983 496656605 /nfs/dbraw/zinc/65/66/05/496656605.db2.gz ARYMZJZXXOLXJI-MRXNPFEDSA-N 2 0 356.539 3.406 20 0 FGADRP COC[C@@H]([NH2+]Cc1ccccc1C[N@H+](C)Cc1ccco1)C1CCOCC1 ZINC000188068682 496669915 /nfs/dbraw/zinc/66/99/15/496669915.db2.gz CTUISHJSUMTJOW-JOCHJYFZSA-N 2 0 372.509 3.443 20 0 FGADRP CC(=O)Nc1ccc([C@H](C)[NH2+]CC2(N3CCCCC3)CC[NH+](C)CC2)cc1 ZINC000182101236 496670854 /nfs/dbraw/zinc/67/08/54/496670854.db2.gz HHSXXUIHFWEWCM-SFHVURJKSA-N 2 0 372.557 3.246 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)C[C@H]1CCC[NH2+]1)c1ccc(C(F)(F)F)cc1 ZINC000166246188 496681151 /nfs/dbraw/zinc/68/11/51/496681151.db2.gz PVWLLUCLLXZFMY-IAGOWNOFSA-N 2 0 371.447 3.347 20 0 FGADRP O=C(NC[C@H]1CCC[N@@H+]1C1CCCCC1)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000580881568 505859390 /nfs/dbraw/zinc/85/93/90/505859390.db2.gz UOWAFCLVXSHPFD-QGZVFWFLSA-N 2 0 374.504 3.390 20 0 FGADRP COc1cc(Cl)c(C)cc1NC(=O)CC[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000158380586 496689941 /nfs/dbraw/zinc/68/99/41/496689941.db2.gz HTDXBVAICWYVMR-ZIAGYGMSSA-N 2 0 353.894 3.058 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc2[nH]c(C)cc2c1 ZINC000176139944 496700824 /nfs/dbraw/zinc/70/08/24/496700824.db2.gz PWIINVZTKPXCMX-LJQANCHMSA-N 2 0 371.529 3.356 20 0 FGADRP C[C@@H]1CCc2c(F)cccc2[C@H]1[NH2+]Cc1cccnc1N1CC[NH+](C)CC1 ZINC000158436389 496701891 /nfs/dbraw/zinc/70/18/91/496701891.db2.gz ISUYWYZAQVEYIN-IERDGZPVSA-N 2 0 368.500 3.386 20 0 FGADRP Cc1cccc(OC[C@H](O)C[NH2+]Cc2ccccc2C[N@@H+](C)C(C)C)c1 ZINC000580887798 505861461 /nfs/dbraw/zinc/86/14/61/505861461.db2.gz PKFCTFQYHQWJOI-OAQYLSRUSA-N 2 0 356.510 3.365 20 0 FGADRP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO)c1ccc2c(c1)OCO2 ZINC000182226849 496713563 /nfs/dbraw/zinc/71/35/63/496713563.db2.gz JTCCLLIKXOMJLO-OXJNMPFZSA-N 2 0 368.477 3.223 20 0 FGADRP Cc1nc2c(s1)[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)CCC2 ZINC000182263285 496722903 /nfs/dbraw/zinc/72/29/03/496722903.db2.gz DITZSQBXVNUZME-ZWKOTPCHSA-N 2 0 357.523 3.185 20 0 FGADRP CC[C@H]([NH2+]CCCC[NH+]1CCN(c2cccc(C)c2)CC1)c1nccn1C ZINC000182286423 496726455 /nfs/dbraw/zinc/72/64/55/496726455.db2.gz ZWMCVJIEGYWULH-NRFANRHFSA-N 2 0 369.557 3.372 20 0 FGADRP CC[C@H](C(=O)Nc1ccc(OC)cc1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246975972 496740376 /nfs/dbraw/zinc/74/03/76/496740376.db2.gz VQLCFCBNPFTUAB-ZLGUVYLKSA-N 2 0 371.525 3.361 20 0 FGADRP CC(C)N(C)c1ccc(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)cn1 ZINC000191412986 496754574 /nfs/dbraw/zinc/75/45/74/496754574.db2.gz LCMVLZLBGLKDDT-UHFFFAOYSA-N 2 0 360.546 3.003 20 0 FGADRP O[C@H](COc1ccccc1Cl)C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000247060727 496766714 /nfs/dbraw/zinc/76/67/14/496766714.db2.gz ZSLRZLUKUXEOEW-VDZJLULYSA-N 2 0 364.917 3.028 20 0 FGADRP C[C@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1ccc(OCC(F)(F)F)cc1 ZINC000268767356 496778964 /nfs/dbraw/zinc/77/89/64/496778964.db2.gz OIGPVFCJISFOEQ-HNNXBMFYSA-N 2 0 373.463 3.304 20 0 FGADRP C[NH+](C)CCC[NH2+][C@@H](c1cccc(Br)c1)C1CCOCC1 ZINC000191485394 496780127 /nfs/dbraw/zinc/78/01/27/496780127.db2.gz VFQZJKRDLXEQGW-QGZVFWFLSA-N 2 0 355.320 3.458 20 0 FGADRP C[C@@H]([NH2+]Cc1cccc(C(=O)N(C)C)c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000268783338 496784371 /nfs/dbraw/zinc/78/43/71/496784371.db2.gz YTFFPSVYBCJVJQ-QGZVFWFLSA-N 2 0 369.509 3.180 20 0 FGADRP CC(C)(CC[NH+]1CCCCCC1)NC(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000188446821 496793125 /nfs/dbraw/zinc/79/31/25/496793125.db2.gz YCFBRETYRLZFSK-UHFFFAOYSA-N 2 0 364.578 3.205 20 0 FGADRP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)N[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000273405748 496797068 /nfs/dbraw/zinc/79/70/68/496797068.db2.gz HPHRKVBOYJAQKQ-DBXWQHBBSA-N 2 0 372.557 3.021 20 0 FGADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H](c2ccccc2Cl)N2CCOCC2)[C@@H](C)C1 ZINC000247183468 496800916 /nfs/dbraw/zinc/80/09/16/496800916.db2.gz VITAXXJTAYUQAW-VDGAXYAQSA-N 2 0 365.949 3.033 20 0 FGADRP CC[NH+](CC)C[C@H]1CCN(C[C@@H](O)COc2cccc(C(F)(F)F)c2)C1 ZINC000247223632 496809386 /nfs/dbraw/zinc/80/93/86/496809386.db2.gz CWUDZLXQHOTIFY-NVXWUHKLSA-N 2 0 374.447 3.109 20 0 FGADRP CC[NH+]1CCC([NH2+]CCC(=O)Nc2cc(C)c(Cl)cc2OC)CC1 ZINC000268880037 496813047 /nfs/dbraw/zinc/81/30/47/496813047.db2.gz ASHVIHSERMSEDW-UHFFFAOYSA-N 2 0 353.894 3.060 20 0 FGADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)CC1 ZINC000191562056 496813239 /nfs/dbraw/zinc/81/32/39/496813239.db2.gz SXYDZVJUWZQJNI-LJQANCHMSA-N 2 0 370.541 3.423 20 0 FGADRP CCC[N@H+](CCCN1CC[NH+](C(C)C)CC1)[C@H](C)C(=O)Nc1ccccc1 ZINC000191567144 496816160 /nfs/dbraw/zinc/81/61/60/496816160.db2.gz NLBIUYBWOYVDBP-HXUWFJFHSA-N 2 0 374.573 3.142 20 0 FGADRP CCN(CCC[NH+](C)C)C(=O)NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000188586203 496842224 /nfs/dbraw/zinc/84/22/24/496842224.db2.gz BGNMIXSGHBVTGH-IBGZPJMESA-N 2 0 374.573 3.402 20 0 FGADRP O=C(NC[C@H]1CCCC[N@@H+]1C1CC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000277655045 496842738 /nfs/dbraw/zinc/84/27/38/496842738.db2.gz ZIOOLZIVPUZFSH-OAQYLSRUSA-N 2 0 355.526 3.032 20 0 FGADRP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)C1 ZINC000247444901 496859348 /nfs/dbraw/zinc/85/93/48/496859348.db2.gz YGJNTMLRFJEZOM-RBUKOAKNSA-N 2 0 364.578 3.157 20 0 FGADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](Cc1ccccc1F)c1ccccc1 ZINC000191729644 496870573 /nfs/dbraw/zinc/87/05/73/496870573.db2.gz PXKMMFBALLLIHF-AVRDEDQJSA-N 2 0 355.501 3.335 20 0 FGADRP COc1ccc(CN2CCC[C@H](c3ncc[nH]3)C2)c(Br)c1O ZINC000273696233 496877331 /nfs/dbraw/zinc/87/73/31/496877331.db2.gz CKAGIBYPLFHHHG-LBPRGKRZSA-N 2 0 366.259 3.266 20 0 FGADRP O[C@H](CO[C@@H]1CCCc2ccccc21)C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000247641892 496898033 /nfs/dbraw/zinc/89/80/33/496898033.db2.gz SZYQTYWJBZBJHU-IEIRFRATSA-N 2 0 372.553 3.249 20 0 FGADRP O=C(C[N@@H+]1CCC[C@@H]2CCC[C@H]21)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000247685679 496905405 /nfs/dbraw/zinc/90/54/05/496905405.db2.gz UXIOPJMGQJDCCY-LEWJYISDSA-N 2 0 355.526 3.163 20 0 FGADRP COc1ccc(CN2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)cc1Br ZINC000247945350 496930315 /nfs/dbraw/zinc/93/03/15/496930315.db2.gz HKZBJJVDXWLLEP-GDBMZVCRSA-N 2 0 353.304 3.374 20 0 FGADRP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)c1ccc(F)cc1OC(F)F ZINC000247956315 496932284 /nfs/dbraw/zinc/93/22/84/496932284.db2.gz FQKISABHCIMPIK-HIFRSBDPSA-N 2 0 360.420 3.315 20 0 FGADRP COc1cc(OC)c([C@@H](C)[NH2+]C[C@@H]2CN(CC(C)C)CCO2)cc1Cl ZINC000247966864 496934495 /nfs/dbraw/zinc/93/44/95/496934495.db2.gz IBPDPWPQDONGPR-HUUCEWRRSA-N 2 0 370.921 3.365 20 0 FGADRP CCOc1ccccc1[C@H](CC)NC(=O)CN1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000248139546 496961356 /nfs/dbraw/zinc/96/13/56/496961356.db2.gz PMWDNZYMXRGZGT-HOJAQTOUSA-N 2 0 373.541 3.069 20 0 FGADRP Cc1ncc2n1C[C@H](C(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1)CC2 ZINC000580955220 505876587 /nfs/dbraw/zinc/87/65/87/505876587.db2.gz RJFVSNPPSFGEAA-GPMSIDNRSA-N 2 0 372.538 3.015 20 0 FGADRP CC(=O)N1CCC(C[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000248398650 496996249 /nfs/dbraw/zinc/99/62/49/496996249.db2.gz JBKLOUHWICZRSH-DNVJHFABSA-N 2 0 369.553 3.135 20 0 FGADRP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N[C@H](C)C[NH+](C)C(C)C ZINC000572058578 505879596 /nfs/dbraw/zinc/87/95/96/505879596.db2.gz PYFNXCQFCJUCEJ-CTNGQTDRSA-N 2 0 374.573 3.269 20 0 FGADRP O[C@@H](CCc1ccccc1)C[NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000569212897 505879695 /nfs/dbraw/zinc/87/96/95/505879695.db2.gz YYCNXKNWXVEVAL-PKTZIBPZSA-N 2 0 352.522 3.134 20 0 FGADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)NCc1ccc(C(F)F)cc1 ZINC000274226640 497046048 /nfs/dbraw/zinc/04/60/48/497046048.db2.gz RHJJIAYWPQLJRI-UHFFFAOYSA-N 2 0 370.488 3.039 20 0 FGADRP C[N@@H+]1CCC[C@@H]2C[NH+](CCOc3ccc(Br)cc3)CC[C@H]21 ZINC000227344087 497089234 /nfs/dbraw/zinc/08/92/34/497089234.db2.gz COJAKINEJSVCGE-RHSMWYFYSA-N 2 0 353.304 3.244 20 0 FGADRP O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC000248758954 497099806 /nfs/dbraw/zinc/09/98/06/497099806.db2.gz QFKSRINBYPDYKK-SFTDATJTSA-N 2 0 369.553 3.279 20 0 FGADRP Cc1ccc2cc(C[NH2+]Cc3ccccc3C[N@@H+]3CC[C@H](O)C3)ccc2n1 ZINC000189427444 497115614 /nfs/dbraw/zinc/11/56/14/497115614.db2.gz HCTFVLMIOARDNP-QFIPXVFZSA-N 2 0 361.489 3.400 20 0 FGADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000248871764 497121839 /nfs/dbraw/zinc/12/18/39/497121839.db2.gz QSIMKBUJHIOTBS-FXAWDEMLSA-N 2 0 372.557 3.069 20 0 FGADRP CC1CC[NH+](Cc2cccc(CNC(=O)[C@H]([NH3+])c3ccccc3)c2)CC1 ZINC000236639423 497125288 /nfs/dbraw/zinc/12/52/88/497125288.db2.gz WEHOSVTWBQXEGR-OAQYLSRUSA-N 2 0 351.494 3.235 20 0 FGADRP CC1CC[NH+](Cc2cccc(CNC(=O)[C@@H](C[NH3+])c3ccccc3)c2)CC1 ZINC000236638833 497125619 /nfs/dbraw/zinc/12/56/19/497125619.db2.gz ZJVJPZXEJIVZEM-QFIPXVFZSA-N 2 0 365.521 3.277 20 0 FGADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@H](C)c1ccc(OCC(F)(F)F)cc1 ZINC000274640193 497135344 /nfs/dbraw/zinc/13/53/44/497135344.db2.gz QXJSMSVOMKGGEY-HZPDHXFCSA-N 2 0 373.463 3.304 20 0 FGADRP COc1cccc2c1CC[C@H]([NH2+][C@H]1CCN(Cc3ccccn3)C[C@H]1C)C2 ZINC000248943789 497137929 /nfs/dbraw/zinc/13/79/29/497137929.db2.gz AEPKDQFXPKMWIR-LZNRXBQRSA-N 2 0 365.521 3.448 20 0 FGADRP CCC[NH+]1CCC(C[NH2+]Cc2ccccc2N2CC[NH+](CCC)CC2)CC1 ZINC000236790761 497146315 /nfs/dbraw/zinc/14/63/15/497146315.db2.gz JZGYQZTUQIAWRI-UHFFFAOYSA-N 3 0 372.601 3.430 20 0 FGADRP O=C(C1CC[NH+](Cc2ccccc2)CC1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000265647801 497153428 /nfs/dbraw/zinc/15/34/28/497153428.db2.gz KOVZQXNZMTWBCD-JOCHJYFZSA-N 2 0 369.553 3.376 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)C[C@H](C)C1CC[NH2+]CC1)Cc1ccccc1 ZINC000236877471 497161399 /nfs/dbraw/zinc/16/13/99/497161399.db2.gz XQIGJVDELGIVQX-RXVVDRJESA-N 2 0 359.558 3.082 20 0 FGADRP CCN1CC[C@H](NC(=O)[C@@]2(C)CCC[NH2+]C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000236905770 497165758 /nfs/dbraw/zinc/16/57/58/497165758.db2.gz ITOWNSCCOFRTSH-LNLFQRSKSA-N 2 0 367.896 3.120 20 0 FGADRP COc1ccc([C@@H](CCO)[NH2+][C@H](C)c2ccc(OCC[NH+](C)C)cc2)cc1 ZINC000270634191 497167121 /nfs/dbraw/zinc/16/71/21/497167121.db2.gz MYSUEQUOTKNSIJ-VGOFRKELSA-N 2 0 372.509 3.410 20 0 FGADRP COc1ccc([C@H](CCO)[NH2+][C@H](C)c2ccc(OCC[NH+](C)C)cc2)cc1 ZINC000270634194 497167747 /nfs/dbraw/zinc/16/77/47/497167747.db2.gz MYSUEQUOTKNSIJ-VGSWGCGISA-N 2 0 372.509 3.410 20 0 FGADRP CCN(C(=O)c1ccc(C[NH3+])cc1)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000237047707 497183830 /nfs/dbraw/zinc/18/38/30/497183830.db2.gz MJTSUHQGXQXPFH-UWJYYQICSA-N 2 0 351.494 3.443 20 0 FGADRP CC(C)[NH+]1CCN(CCC[N@@H+]2[C@H](C)CO[C@H](c3ccccc3)[C@H]2C)CC1 ZINC000249286503 497186729 /nfs/dbraw/zinc/18/67/29/497186729.db2.gz OMUZSQKTERXZIM-SJBKTWHCSA-N 2 0 359.558 3.253 20 0 FGADRP CC(C)[NH+]1CCN(CCC[NH+]2CCC(COc3ccccc3)CC2)CC1 ZINC000192724957 497195886 /nfs/dbraw/zinc/19/58/86/497195886.db2.gz LDUWWMFIRDHZLZ-UHFFFAOYSA-N 2 0 359.558 3.194 20 0 FGADRP CC1(C2CC2)CC[NH+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000574963080 505892528 /nfs/dbraw/zinc/89/25/28/505892528.db2.gz UWTYRWLPSDNKMI-UHFFFAOYSA-N 2 0 369.553 3.411 20 0 FGADRP CC(C)[NH+]1CCN(CCC[NH2+][C@@H]2CCO[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000192848403 497229676 /nfs/dbraw/zinc/22/96/76/497229676.db2.gz PRQBQEWWNUODCK-WOJBJXKFSA-N 2 0 365.949 3.176 20 0 FGADRP C[C@@H](CC(=O)NCC1CC[NH+](Cc2cccs2)CC1)C1CC[NH2+]CC1 ZINC000237416252 497233561 /nfs/dbraw/zinc/23/35/61/497233561.db2.gz TXRRGCQOGYPDRR-INIZCTEOSA-N 2 0 363.571 3.102 20 0 FGADRP C[C@H](CC(=O)N(C)[C@H]1CCC[N@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH2+]C1 ZINC000237505875 497248279 /nfs/dbraw/zinc/24/82/79/497248279.db2.gz QRTPNLOPWCHXCQ-NRSPTQNISA-N 2 0 357.542 3.135 20 0 FGADRP CN(C)C(=O)[C@@H]1CCC[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000278871403 497249705 /nfs/dbraw/zinc/24/97/05/497249705.db2.gz WZQXWRZQCVGUDI-LMYCIYFBSA-N 2 0 369.553 3.419 20 0 FGADRP CC[C@@](O)(C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccc(Br)cc1 ZINC000192959815 497260850 /nfs/dbraw/zinc/26/08/50/497260850.db2.gz LZXJBCKFYMRYPJ-HQSKLWIPSA-N 2 0 367.331 3.262 20 0 FGADRP C[NH+](C)CCNC(=O)c1ccc(C[NH2+][C@@H]2CCCNc3ccccc32)cc1 ZINC000193002200 497271874 /nfs/dbraw/zinc/27/18/74/497271874.db2.gz PPXLAOYQAPHWOL-OAQYLSRUSA-N 2 0 366.509 3.015 20 0 FGADRP FC(F)CN1CCC([NH2+]Cc2ccccc2C[NH+]2CCCCC2)CC1 ZINC000237775079 497290474 /nfs/dbraw/zinc/29/04/74/497290474.db2.gz KPLCSQRABOTLDX-UHFFFAOYSA-N 2 0 351.485 3.492 20 0 FGADRP C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)NCCC2CC[NH+](C)CC2)C1 ZINC000252441610 497298853 /nfs/dbraw/zinc/29/88/53/497298853.db2.gz NPXMDFNFIQYOPI-AZUAARDMSA-N 2 0 364.578 3.014 20 0 FGADRP CC[NH+](CC)C[C@@H]1CCN(C(=O)C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000266332245 497307336 /nfs/dbraw/zinc/30/73/36/497307336.db2.gz XRUSWCAGQWBKNA-FQEVSTJZSA-N 2 0 357.542 3.089 20 0 FGADRP Cc1ccc(NC(=O)NC[C@@H]2CCC[NH+](CC[C@H]3CCC[N@H+]3C)C2)cc1 ZINC000252656728 497315200 /nfs/dbraw/zinc/31/52/00/497315200.db2.gz NXEHSNNKFZLKHW-AZUAARDMSA-N 2 0 358.530 3.313 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCC(=O)Nc2ccccc2C)[C@@H](C)C1 ZINC000253296757 497325516 /nfs/dbraw/zinc/32/55/16/497325516.db2.gz TYMHBKQFMPPDFV-OALUTQOASA-N 2 0 361.530 3.050 20 0 FGADRP CCN(CCC[NH+]1CCCC1)C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000190094042 497354882 /nfs/dbraw/zinc/35/48/82/497354882.db2.gz PXOMCETXMKLCIC-NRFANRHFSA-N 2 0 372.557 3.341 20 0 FGADRP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)c1cccc(OC(F)F)c1 ZINC000271537343 497376370 /nfs/dbraw/zinc/37/63/70/497376370.db2.gz SCWQHHNUHDHYRK-MORSLUCNSA-N 2 0 354.441 3.316 20 0 FGADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)N[C@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000245399542 497385203 /nfs/dbraw/zinc/38/52/03/497385203.db2.gz ALSUTSUMDGYXDH-RTBURBONSA-N 2 0 374.573 3.400 20 0 FGADRP CCC[N@H+](CC)CCNC(=O)NC[C@H]1CCC[NH+](C)[C@H]1c1cccs1 ZINC000245432059 497402457 /nfs/dbraw/zinc/40/24/57/497402457.db2.gz NQYNUFIGCJFZPZ-SJLPKXTDSA-N 2 0 366.575 3.162 20 0 FGADRP Cc1ccc([C@H]([NH3+])C(=O)N(C)C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000261593293 497415987 /nfs/dbraw/zinc/41/59/87/497415987.db2.gz MWSXTJITVVTNPP-NRFANRHFSA-N 2 0 351.494 3.118 20 0 FGADRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@H](C)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000266777041 497417163 /nfs/dbraw/zinc/41/71/63/497417163.db2.gz BZZAQYRYXXOPLQ-IAGOWNOFSA-N 2 0 369.575 3.098 20 0 FGADRP C[C@@H]1C[N@@H+](Cc2ccc(-c3nc(C4([NH3+])CCCC4)no3)cc2)C[C@H](C)O1 ZINC000261849374 497461141 /nfs/dbraw/zinc/46/11/41/497461141.db2.gz SSBLYEUQNGGCJC-GASCZTMLSA-N 2 0 356.470 3.074 20 0 FGADRP C[C@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1cc2cc(Br)ccc2o1 ZINC000271862223 497473642 /nfs/dbraw/zinc/47/36/42/497473642.db2.gz KSSVOEZMYODRKT-LBPRGKRZSA-N 2 0 367.287 3.303 20 0 FGADRP COc1cc(CN2CC[C@@]3(CC[NH2+]C3)C2)ccc1OCc1ccccc1 ZINC000261951873 497480900 /nfs/dbraw/zinc/48/09/00/497480900.db2.gz GATVQSHPQWITRP-JOCHJYFZSA-N 2 0 352.478 3.460 20 0 FGADRP c1c(CN2CC[C@@]3(CC[NH2+]C3)C2)c(-c2cccnc2)nn1Cc1ccccc1 ZINC000261951834 497480984 /nfs/dbraw/zinc/48/09/84/497480984.db2.gz GADHHFFEUAMWAY-HSZRJFAPSA-N 2 0 373.504 3.179 20 0 FGADRP C[NH2+]CCC1CC[NH+]([C@H](C)C(=O)Nc2ccc(C(F)(F)F)cc2)CC1 ZINC000261973781 497484810 /nfs/dbraw/zinc/48/48/10/497484810.db2.gz FDHYQVVOAYCDJQ-CYBMUJFWSA-N 2 0 357.420 3.354 20 0 FGADRP C[C@@H]([NH3+])C1CC[NH+](Cc2nc(-c3cccc(Br)c3)no2)CC1 ZINC000261969943 497485173 /nfs/dbraw/zinc/48/51/73/497485173.db2.gz PXPSDERITWONTB-LLVKDONJSA-N 2 0 365.275 3.058 20 0 FGADRP O=C(NC1CC[NH+](C2CCCC2)CC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000267154179 497492860 /nfs/dbraw/zinc/49/28/60/497492860.db2.gz NUXYRHHYVGTGLS-UHFFFAOYSA-N 2 0 369.553 3.422 20 0 FGADRP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]CCCOC2CCOCC2)C3)cc1 ZINC000245677022 497498580 /nfs/dbraw/zinc/49/85/80/497498580.db2.gz IDURQBJBAYLDRS-WKCHPHFGSA-N 2 0 358.526 3.357 20 0 FGADRP CC[N@H+](CC(=O)NC[C@@H]1CC[NH+](C)[C@H]1c1ccc(Cl)c(F)c1)C1CC1 ZINC000245703056 497507945 /nfs/dbraw/zinc/50/79/45/497507945.db2.gz NRIYFJHUSYFXOT-LIRRHRJNSA-N 2 0 367.896 3.072 20 0 FGADRP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+]CCCOC[C@H]2CCOC2)C3)cc1 ZINC000245717306 497514834 /nfs/dbraw/zinc/51/48/34/497514834.db2.gz OFAUYXBMWHFLRH-YSFYHYPLSA-N 2 0 358.526 3.215 20 0 FGADRP O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000262193647 497522381 /nfs/dbraw/zinc/52/23/81/497522381.db2.gz IGXKPOVSHQSWSS-HBMCJLEFSA-N 2 0 355.526 3.209 20 0 FGADRP COc1ccccc1-c1ccc([C@H](C)[N@H+](C)CCN2CC[NH2+]CC2)cc1 ZINC000575060085 505912492 /nfs/dbraw/zinc/91/24/92/505912492.db2.gz WHIFIEQOTSTXFI-SFHVURJKSA-N 2 0 353.510 3.260 20 0 FGADRP OC[C@H]1CCC[N@@H+]1CCCC[NH2+][C@@H]1CCc2ccc(Br)cc21 ZINC000193983007 497538754 /nfs/dbraw/zinc/53/87/54/497538754.db2.gz GMZDLODJMRGRRC-SJLPKXTDSA-N 2 0 367.331 3.263 20 0 FGADRP CC(C)CO[C@@H]1C[C@H]([NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)C1(C)C ZINC000245856018 497551218 /nfs/dbraw/zinc/55/12/18/497551218.db2.gz HBTHVPBVOQDKAK-LWYYNNOASA-N 2 0 352.563 3.184 20 0 FGADRP C[NH+](C)CCCC1CCN(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)CC1 ZINC000245882365 497558801 /nfs/dbraw/zinc/55/88/01/497558801.db2.gz IIAPHRFXRSLOIY-LEWJYISDSA-N 2 0 372.557 3.195 20 0 FGADRP CC[NH+]1CCN(Cc2ccccc2C[NH2+][C@@H]2[C@H]3CCCO[C@H]3C2(C)C)CC1 ZINC000245883067 497559519 /nfs/dbraw/zinc/55/95/19/497559519.db2.gz LENYTBJVOQXQHQ-YPAWHYETSA-N 2 0 371.569 3.117 20 0 FGADRP C[N@@H+]1CCN(CCC[NH2+][C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)[C@H](c2ccccc2)C1 ZINC000245897343 497562805 /nfs/dbraw/zinc/56/28/05/497562805.db2.gz NHFWUEMQXFIWAL-FNAHDJPLSA-N 2 0 371.569 3.158 20 0 FGADRP CCN(C(=O)CN1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1)c1cccc2ccccc21 ZINC000578324102 505914593 /nfs/dbraw/zinc/91/45/93/505914593.db2.gz QUKPKTWQKHWKRR-IHPCNDPISA-N 2 0 351.494 3.252 20 0 FGADRP C[C@@H](C(=O)N1CCC[N@H+](Cc2ccccc2)CC1)[C@H]([NH3+])c1ccccc1 ZINC000262519001 497568695 /nfs/dbraw/zinc/56/86/95/497568695.db2.gz VANCCOSGKCMRJN-NQIIRXRSSA-N 2 0 351.494 3.057 20 0 FGADRP Cc1ccc([C@H]([NH3+])C(=O)NCC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000262603572 497580840 /nfs/dbraw/zinc/58/08/40/497580840.db2.gz AIPVGAJIOCIZQT-NRFANRHFSA-N 2 0 351.494 3.023 20 0 FGADRP C[C@H](C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1)[C@H]([NH3+])c1ccccc1 ZINC000262644759 497589947 /nfs/dbraw/zinc/58/99/47/497589947.db2.gz MYLHPDRKIKHPSZ-YYWHXJBOSA-N 2 0 351.494 3.276 20 0 FGADRP C[C@H](CC(=O)N[C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C)C1CC[NH2+]CC1 ZINC000262641537 497590176 /nfs/dbraw/zinc/59/01/76/497590176.db2.gz KXIMRWICJQOTDE-GBPOLFSSSA-N 2 0 371.569 3.285 20 0 FGADRP C[C@H](CC(=O)NC1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C)[C@H]1CCC[NH2+]C1 ZINC000262646401 497590931 /nfs/dbraw/zinc/59/09/31/497590931.db2.gz ODNKTTXHCKDHEZ-XCJLJZCSSA-N 2 0 371.569 3.285 20 0 FGADRP C[C@H](C(=O)N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1)[C@H]([NH3+])c1ccccc1 ZINC000262648979 497591370 /nfs/dbraw/zinc/59/13/70/497591370.db2.gz QCMQMPGLPBZSNB-DXIQSLLYSA-N 2 0 365.521 3.446 20 0 FGADRP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)CC1 ZINC000262661009 497594205 /nfs/dbraw/zinc/59/42/05/497594205.db2.gz GGUIHWISNRCZDY-LMQGHGSNSA-N 2 0 355.526 3.249 20 0 FGADRP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@H]([NH3+])c1ccc(C)cc1 ZINC000262687539 497600892 /nfs/dbraw/zinc/60/08/92/497600892.db2.gz YIQZFLSURXVQAY-IRLDBZIGSA-N 2 0 365.521 3.365 20 0 FGADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N1CCC[C@@H]2C[NH+](C)CC[C@H]21 ZINC000246071237 497611242 /nfs/dbraw/zinc/61/12/42/497611242.db2.gz ZZYNDSFGLMSRKI-NHCUHLMSSA-N 2 0 372.557 3.153 20 0 FGADRP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@](C)([NH3+])c1ccccc1 ZINC000262772155 497617328 /nfs/dbraw/zinc/61/73/28/497617328.db2.gz JAZXHRYVFHNZKK-NFBKMPQASA-N 2 0 365.521 3.231 20 0 FGADRP CC1CC[NH+](Cc2ccc(CNC(=O)[C@@](C)([NH3+])c3ccccc3)cc2)CC1 ZINC000262803885 497624903 /nfs/dbraw/zinc/62/49/03/497624903.db2.gz FGXBHPJGSWOQHJ-QHCPKHFHSA-N 2 0 365.521 3.409 20 0 FGADRP Cc1cc(NC(=O)[C@@H]2CCCC[C@@]2(C)[NH3+])ccc1OCC[NH+]1CCCC1 ZINC000262948979 497664548 /nfs/dbraw/zinc/66/45/48/497664548.db2.gz JJAXZLMIDKTYCR-GHTZIAJQSA-N 2 0 359.514 3.316 20 0 FGADRP CCN(C(=O)CCC1CC[NH2+]CC1)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000262959817 497666357 /nfs/dbraw/zinc/66/63/57/497666357.db2.gz KOVGWZHAKUJVAP-RXVVDRJESA-N 2 0 357.542 3.450 20 0 FGADRP C[C@H](c1ccccc1)N1CC[C@@H]([NH2+]CCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000246260248 497676568 /nfs/dbraw/zinc/67/65/68/497676568.db2.gz QQHBCNZIAYNRCL-XAPVIXHLSA-N 2 0 359.558 3.301 20 0 FGADRP C[C@H](CC(=O)N1CCC(C[N@H+](C)Cc2ccccc2)CC1)[C@H]1CCC[NH2+]C1 ZINC000246281431 497682852 /nfs/dbraw/zinc/68/28/52/497682852.db2.gz MORPGMHUCYPVBE-KNQAVFIVSA-N 2 0 371.569 3.383 20 0 FGADRP CC[C@H](C)[N@H+](C)CCNC(=O)N1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000246342937 497702596 /nfs/dbraw/zinc/70/25/96/497702596.db2.gz JDZSQBOWEJILFI-FHWLQOOXSA-N 2 0 352.567 3.013 20 0 FGADRP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)CCC(=O)Nc3cccnc3)C2)s1 ZINC000572246644 505924477 /nfs/dbraw/zinc/92/44/77/505924477.db2.gz JEDJWUJWCRRLTM-QGZVFWFLSA-N 2 0 372.538 3.234 20 0 FGADRP C[C@H]([NH2+][C@@H]1CCO[C@@]2(CCSC2)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000246376276 497712950 /nfs/dbraw/zinc/71/29/50/497712950.db2.gz JSPASEWFMFRLMN-HQRMLTQVSA-N 2 0 364.555 3.332 20 0 FGADRP CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCCCn1c(C)nc2ccccc21 ZINC000246425116 497729522 /nfs/dbraw/zinc/72/95/22/497729522.db2.gz SSFIZBKJWZFVAR-ROUUACIJSA-N 2 0 369.513 3.003 20 0 FGADRP C[C@]1([NH3+])CCCC[C@H]1C(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000263229869 497737372 /nfs/dbraw/zinc/73/73/72/497737372.db2.gz NHUCOQAEPKTNLY-PMVMPFDFSA-N 2 0 369.553 3.409 20 0 FGADRP Cc1c([C@H](C)[NH2+]Cc2ccc(CN3CC[NH+](C)CC3)cc2)cnn1C(C)C ZINC000191192852 497738747 /nfs/dbraw/zinc/73/87/47/497738747.db2.gz HITQXIGNYLDGFV-SFHVURJKSA-N 2 0 369.557 3.371 20 0 FGADRP Cc1c([C@H](C)[NH2+]CCCC[NH+]2C[C@@H](C)O[C@H](C)C2)cnn1C(C)(C)C ZINC000191231812 497750552 /nfs/dbraw/zinc/75/05/52/497750552.db2.gz FUROKOXQMWVRIV-ZACQAIPSSA-N 2 0 350.551 3.487 20 0 FGADRP Cc1ncc([C@@H](C)NC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)c(C)n1 ZINC000277136284 497752069 /nfs/dbraw/zinc/75/20/69/497752069.db2.gz OVAAOEFFNLEFKX-OXQOHEQNSA-N 2 0 354.498 3.035 20 0 FGADRP CC[NH+](CC)CCN(Cc1ccccc1)C(=O)C[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000263301547 497753050 /nfs/dbraw/zinc/75/30/50/497753050.db2.gz ZPJNTVGTBZQAOE-TZIWHRDSSA-N 2 0 359.558 3.383 20 0 FGADRP Cc1ccccc1[C@@H](C)NC(=O)[C@H](C)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000194736020 497753924 /nfs/dbraw/zinc/75/39/24/497753924.db2.gz COBMHMVNSSUADJ-MOPGFXCFSA-N 2 0 357.542 3.369 20 0 FGADRP C[C@H]([NH2+][C@H]1CCCC1(C)C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000191298256 497773291 /nfs/dbraw/zinc/77/32/91/497773291.db2.gz QCYMKUCHVGJXME-PXNSSMCTSA-N 2 0 357.542 3.324 20 0 FGADRP C(CC[NH+]1CC[C@@H]2OCCC[C@@H]2C1)CC[N@@H+]1CC[C@@H]2OCCC[C@@H]2C1 ZINC000246642170 497793350 /nfs/dbraw/zinc/79/33/50/497793350.db2.gz KWEAVQBQIPMYGR-CGXNFDGLSA-N 2 0 350.547 3.159 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2C[C@@H](OCC)C23CCCC3)[C@H](C)C1 ZINC000246821836 497813860 /nfs/dbraw/zinc/81/38/60/497813860.db2.gz ARDJYAKCLWLVQE-IYWMVGAKSA-N 2 0 352.563 3.451 20 0 FGADRP CC(C)N1CCC[C@H]([NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H](C)C2)C1=O ZINC000246838797 497815050 /nfs/dbraw/zinc/81/50/50/497815050.db2.gz LFTACOGCGRXCOS-RXVVDRJESA-N 2 0 357.542 3.408 20 0 FGADRP CC(C)N1CCC[C@H]([NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H](C)C2)C1=O ZINC000246838778 497815286 /nfs/dbraw/zinc/81/52/86/497815286.db2.gz LFTACOGCGRXCOS-NQIIRXRSSA-N 2 0 357.542 3.408 20 0 FGADRP COc1cccc(O[C@H](C)C[NH2+][C@@H]2CCN(Cc3ccccn3)C[C@H]2C)c1 ZINC000246877778 497818110 /nfs/dbraw/zinc/81/81/10/497818110.db2.gz DGMBJBQDAKFYIA-JBYIUTFZSA-N 2 0 369.509 3.358 20 0 FGADRP C[NH+]1CCN(c2ncccc2C[NH2+][C@H]2CCCc3nc(Cl)ccc32)CC1 ZINC000295859210 497833004 /nfs/dbraw/zinc/83/30/04/497833004.db2.gz GLZLUSOZCSRCSF-KRWDZBQOSA-N 2 0 371.916 3.049 20 0 FGADRP Cc1cc(C[NH2+]C[C@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)ccc1-n1cncn1 ZINC000364296394 497885607 /nfs/dbraw/zinc/88/56/07/497885607.db2.gz BWUBIUZTEQNGLV-IFMALSPDSA-N 2 0 361.493 3.358 20 0 FGADRP C[C@H]([NH2+]CC1([NH3+])C2CC3CC(C2)CC1C3)c1ccccc1-n1ccnn1 ZINC000581245252 505942546 /nfs/dbraw/zinc/94/25/46/505942546.db2.gz IMBVVXNQINTCTM-XJDHANQYSA-N 2 0 351.498 3.072 20 0 FGADRP COC(=O)C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CC[N@H+](CCc3ccccc3)C2)[C@H]1C ZINC000280813137 497907927 /nfs/dbraw/zinc/90/79/27/497907927.db2.gz IHTHUBXBHBAHEC-VMXMFDLUSA-N 2 0 358.526 3.118 20 0 FGADRP CC(=O)N1CCC[C@@H](C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000280898718 497942072 /nfs/dbraw/zinc/94/20/72/497942072.db2.gz FPVMROPVLIMKKI-KJJMTIBFSA-N 2 0 355.526 3.030 20 0 FGADRP [NH3+]Cc1cn([C@H]2CCC[N@H+](Cc3ccc(F)c(-c4cccs4)c3)C2)nn1 ZINC000578486600 505951777 /nfs/dbraw/zinc/95/17/77/505951777.db2.gz XSOFMGXDHOGOGP-INIZCTEOSA-N 2 0 371.485 3.442 20 0 FGADRP C[NH+]1CCC(CC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)CC1 ZINC000292263407 497944347 /nfs/dbraw/zinc/94/43/47/497944347.db2.gz TVBGEZBBZRMUJU-FGZHOGPDSA-N 2 0 369.553 3.231 20 0 FGADRP CC[NH+](CC)CCN(Cc1cccs1)C(=O)CC1CC[NH+](C)CC1 ZINC000292267794 497946093 /nfs/dbraw/zinc/94/60/93/497946093.db2.gz UAEHBOYSEIZIPJ-UHFFFAOYSA-N 2 0 351.560 3.150 20 0 FGADRP C[C@H](Cc1ccccc1C(F)(F)F)[NH2+]C[C@H](C)CN1CC[NH+](C)CC1 ZINC000280947095 497961123 /nfs/dbraw/zinc/96/11/23/497961123.db2.gz SXEBQAUSMICGFY-JKSUJKDBSA-N 2 0 357.464 3.110 20 0 FGADRP Cc1ccc([C@@H](CNC(=O)N2CC(C)(C)[C@H]2c2nccn2C)[NH+](C)C)cc1 ZINC000296435950 498042104 /nfs/dbraw/zinc/04/21/04/498042104.db2.gz TYSQDGQWTSKABW-QZTJIDSGSA-N 2 0 369.513 3.124 20 0 FGADRP Cc1nn(-c2ccccn2)c(Cl)c1C[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000289178454 498048320 /nfs/dbraw/zinc/04/83/20/498048320.db2.gz SODDUFBRYVTLHS-UHFFFAOYSA-N 2 0 361.921 3.393 20 0 FGADRP CC(=O)N1CCC[C@H](C[NH2+]C2CCC([N@H+](C)Cc3ccccc3)CC2)C1 ZINC000285330039 498054828 /nfs/dbraw/zinc/05/48/28/498054828.db2.gz UFJIWCJRWWNBNI-ITAUSPCMSA-N 2 0 357.542 3.278 20 0 FGADRP Cc1ncc(C[NH2+]C[C@@H]2CCN(C)[C@H]2c2cccnc2)n1-c1ccccc1 ZINC000364692991 498092135 /nfs/dbraw/zinc/09/21/35/498092135.db2.gz AZNHBXQXHOMGHB-UGKGYDQZSA-N 2 0 361.493 3.358 20 0 FGADRP C[C@@H](CC(=O)Nc1ccccc1)[NH2+]C[C@@H]1CCN(C)[C@H]1c1cccnc1 ZINC000364693796 498092432 /nfs/dbraw/zinc/09/24/32/498092432.db2.gz FHMCMYFKBGNPET-MDKPJZGXSA-N 2 0 352.482 3.081 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1cnc(-c2ccccn2)s1 ZINC000569626100 505979202 /nfs/dbraw/zinc/97/92/02/505979202.db2.gz VWKBIYDEHFWHDA-KRWDZBQOSA-N 2 0 373.570 3.053 20 0 FGADRP CC[NH+]1CCN(Cc2ccc(C[NH2+][C@H]3CCOC4(CCC4)C3)cc2)CC1 ZINC000296597310 498113802 /nfs/dbraw/zinc/11/38/02/498113802.db2.gz YEYJRVSVLLUNHV-NRFANRHFSA-N 2 0 357.542 3.015 20 0 FGADRP C[C@H]([NH3+])C[C@H](C)NC(=O)NCc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000578647714 505989568 /nfs/dbraw/zinc/98/95/68/505989568.db2.gz DLCOOACNZRNICR-MHORFTMASA-N 2 0 360.546 3.090 20 0 FGADRP O[C@@H]1CC[N@H+](Cc2ccccc2C[NH2+][C@@H](c2cncc(F)c2)C2CC2)C1 ZINC000281517026 498178792 /nfs/dbraw/zinc/17/87/92/498178792.db2.gz HOBXHGJCUMRCGA-NHCUHLMSSA-N 2 0 355.457 3.028 20 0 FGADRP Cc1cc(N[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2CO)nc(C(C)C)n1 ZINC000301723156 498239224 /nfs/dbraw/zinc/23/92/24/498239224.db2.gz OBCLJPPGBZYGDR-RTBURBONSA-N 2 0 354.498 3.203 20 0 FGADRP Cc1ccc(NC(=O)C[N@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)c(C)c1 ZINC000364991894 498243128 /nfs/dbraw/zinc/24/31/28/498243128.db2.gz ALEGJWRBRCMXDE-UHFFFAOYSA-N 2 0 366.509 3.485 20 0 FGADRP C[C@H](C(=O)Nc1ccccc1OC(F)F)N1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000293056413 498251415 /nfs/dbraw/zinc/25/14/15/498251415.db2.gz UIUZBNLWZGLJJL-KUHUBIRLSA-N 2 0 367.440 3.033 20 0 FGADRP C[C@@H]1C[C@@H]([NH3+])CCN1CC(=O)N(C)C(c1ccccc1)c1ccccc1 ZINC000569738171 506004466 /nfs/dbraw/zinc/00/44/66/506004466.db2.gz BVRMUJZRPMESJS-XLIONFOSSA-N 2 0 351.494 3.046 20 0 FGADRP COc1ccc([C@H](C)[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)c(C)c1OC ZINC000286060131 498281354 /nfs/dbraw/zinc/28/13/54/498281354.db2.gz LIFSFSRSWSBLRN-DLBZAZTESA-N 2 0 362.514 3.164 20 0 FGADRP COc1ccc([C@H](C)[NH2+]C2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)c(C)c1OC ZINC000286063646 498282007 /nfs/dbraw/zinc/28/20/07/498282007.db2.gz KTVBVEJPGRDGHY-SNRMKQJTSA-N 2 0 362.514 3.041 20 0 FGADRP CC[NH+](CC)Cc1ccccc1CNC(=O)c1cccn1C1CC[NH2+]CC1 ZINC000365082897 498288274 /nfs/dbraw/zinc/28/82/74/498288274.db2.gz PNGIRPSAEXUFKI-UHFFFAOYSA-N 2 0 368.525 3.184 20 0 FGADRP c1cn2c(n1)[C@H](C[NH2+][C@H]1CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]31)CCC2 ZINC000360642862 498293171 /nfs/dbraw/zinc/29/31/71/498293171.db2.gz RDEKHFLLLKBTHE-TUFLPTIASA-N 2 0 350.510 3.261 20 0 FGADRP CCN1CC[NH+](CCCC[NH2+][C@@H](CCCOC)c2ccc(F)cc2)CC1 ZINC000281921305 498318553 /nfs/dbraw/zinc/31/85/53/498318553.db2.gz JLNNHXLMWUTSNQ-NRFANRHFSA-N 2 0 365.537 3.301 20 0 FGADRP COc1ccc([C@H](C)[NH2+]Cc2cccc(CN3CCO[C@@H](C)C3)c2)cc1O ZINC000289961988 498371857 /nfs/dbraw/zinc/37/18/57/498371857.db2.gz XBDHMLAWCHJNHI-IRXDYDNUSA-N 2 0 370.493 3.472 20 0 FGADRP C[N@H+](Cc1ccccc1CNC(=O)N[C@H]1CCC[NH2+]C1)C1CCCCC1 ZINC000569821301 506024402 /nfs/dbraw/zinc/02/44/02/506024402.db2.gz NJDDDRXRXKMLDS-IBGZPJMESA-N 2 0 358.530 3.002 20 0 FGADRP O=C(c1cccc(CN2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@H]3C2)c1)N1CCCCC1 ZINC000361479802 498397823 /nfs/dbraw/zinc/39/78/23/498397823.db2.gz XHJMVQNOEGYQIF-FSSWDIPSSA-N 2 0 367.537 3.229 20 0 FGADRP Cc1[nH+]c2ccccc2c(N2CCN(C[C@H]3CCCC[N@H+]3C)CC2)c1C ZINC000302104451 498406333 /nfs/dbraw/zinc/40/63/33/498406333.db2.gz WRNJQFLZEZXCDU-LJQANCHMSA-N 2 0 352.526 3.458 20 0 FGADRP C[C@H]1C[C@@H]([NH2+]C2CCN(c3cc[nH+]cc3)CC2)CN1Cc1ccccc1 ZINC000297356814 498418099 /nfs/dbraw/zinc/41/80/99/498418099.db2.gz FLDXAGLZDCOLTA-GHTZIAJQSA-N 2 0 350.510 3.303 20 0 FGADRP C(CCC[N@@H+]1CC[C@H]([C@@H]2CCOC2)C1)CC[NH+]1CC[C@H]([C@H]2CCOC2)C1 ZINC000361748323 498424444 /nfs/dbraw/zinc/42/44/44/498424444.db2.gz BIIPOELOALPYDF-MYGLTJDJSA-N 2 0 364.574 3.264 20 0 FGADRP CC1=C[C@H](C)C[C@@H](C[NH+]2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)C1 ZINC000575913759 506032042 /nfs/dbraw/zinc/03/20/42/506032042.db2.gz JSIBFZVYSVKRPU-PKOBYXMFSA-N 2 0 363.590 3.395 20 0 FGADRP Cc1ccccc1[C@@H]([C@@H](C)NC(=O)c1ccccc1C[NH+](C)C)[NH+](C)C ZINC000569878752 506036891 /nfs/dbraw/zinc/03/68/91/506036891.db2.gz JRUKKBWHQIOBQT-DYESRHJHSA-N 2 0 353.510 3.478 20 0 FGADRP COc1cc(OC)c([C@@H](C)[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)cc1Cl ZINC000282300193 498458171 /nfs/dbraw/zinc/45/81/71/498458171.db2.gz MGZZJBRZGPKFDL-CQSZACIVSA-N 2 0 369.937 3.034 20 0 FGADRP COc1cc(OC)c([C@H](C)[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)cc1Cl ZINC000282300191 498458380 /nfs/dbraw/zinc/45/83/80/498458380.db2.gz MGZZJBRZGPKFDL-AWEZNQCLSA-N 2 0 369.937 3.034 20 0 FGADRP CC[NH+]1CCN(CCC[NH2+][C@H]2CCCOc3cc(Cl)ccc32)CC1 ZINC000362486456 498522700 /nfs/dbraw/zinc/52/27/00/498522700.db2.gz NGAOJDWBXCTLCR-SFHVURJKSA-N 2 0 351.922 3.171 20 0 FGADRP C[C@H]([NH3+])[C@H]1CCN(C(=O)NCc2ccccc2C[N@H+](C)C2CCCCC2)C1 ZINC000581715380 506052040 /nfs/dbraw/zinc/05/20/40/506052040.db2.gz YDXOWFBUWRZGOV-HKUYNNGSSA-N 2 0 372.557 3.330 20 0 FGADRP COCCCn1nccc1C[NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000282559075 498559524 /nfs/dbraw/zinc/55/95/24/498559524.db2.gz DIAVPGMNIXZVQV-UHFFFAOYSA-N 2 0 356.514 3.195 20 0 FGADRP CC[NH+](CC)Cc1cccc(CNC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000286976566 498576962 /nfs/dbraw/zinc/57/69/62/498576962.db2.gz FMVBAZGGIMCLLW-WCRBZPEASA-N 2 0 372.557 3.295 20 0 FGADRP CCC[N@H+](CC)C[C@H](C)NC(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000569980840 506061051 /nfs/dbraw/zinc/06/10/51/506061051.db2.gz UVLSNDGEVIJROR-IBGZPJMESA-N 2 0 374.573 3.113 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)NCc2ccc3c[nH+]cn3c2)C1 ZINC000297972829 498626566 /nfs/dbraw/zinc/62/65/66/498626566.db2.gz XLIIHCPDGHSCBC-IEBWSBKVSA-N 2 0 369.513 3.130 20 0 FGADRP C[C@@H]1[C@@H]([NH2+]C2CCN(CC(F)(F)F)CC2)CCN1Cc1ccccc1 ZINC000287131841 498642249 /nfs/dbraw/zinc/64/22/49/498642249.db2.gz ACNZLWMBLWVXRE-QAPCUYQASA-N 2 0 355.448 3.266 20 0 FGADRP C[C@@H]1CCC[C@](CNC(=O)NCC(C)(C)[NH+]2CCCCC2)([NH+](C)C)C1 ZINC000303059343 498645124 /nfs/dbraw/zinc/64/51/24/498645124.db2.gz ZZSVTKYABDBXOL-XLIONFOSSA-N 2 0 352.567 3.061 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)C[C@@H]1CCCC[C@@H]1[NH3+])c1cccc(OC)c1 ZINC000581819164 506067690 /nfs/dbraw/zinc/06/76/90/506067690.db2.gz GYYDUJHCOVSSIN-FFZOFVMBSA-N 2 0 361.530 3.102 20 0 FGADRP C[C@@H](CNC(=O)NCc1ccccc1C[NH+]1CCCCCC1)[N@H+](C)C1CC1 ZINC000303536089 498689205 /nfs/dbraw/zinc/68/92/05/498689205.db2.gz SGCXJAXKWRCZSQ-SFHVURJKSA-N 2 0 372.557 3.345 20 0 FGADRP C[C@@H](NC(=O)[C@@H](C)[NH+]1CCC(CC[NH3+])CC1)c1cccc2ccccc21 ZINC000572889248 506076458 /nfs/dbraw/zinc/07/64/58/506076458.db2.gz FVBDGVIZEQMSHD-IAGOWNOFSA-N 2 0 353.510 3.466 20 0 FGADRP Cc1nc2ccccc2n1CCCNC(=O)N1CC[C@H]([NH+]2CCCC2)[C@H]1C ZINC000287324411 498716687 /nfs/dbraw/zinc/71/66/87/498716687.db2.gz XTBSUTSNAFAWCZ-APWZRJJASA-N 2 0 369.513 3.003 20 0 FGADRP CCC[NH+]1CCC(NCc2cccc(I)c2)CC1 ZINC000306081502 498737174 /nfs/dbraw/zinc/73/71/74/498737174.db2.gz DCTWHLGYLVBATK-UHFFFAOYSA-N 2 0 358.267 3.255 20 0 FGADRP O=C(OCc1ccccc1)N1CCC([NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000303987677 498734071 /nfs/dbraw/zinc/73/40/71/498734071.db2.gz LYOSIEWEFOKDMI-VQTJNVASSA-N 2 0 357.498 3.004 20 0 FGADRP CCc1cccc(OC[C@H](O)C[NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000312737011 498763166 /nfs/dbraw/zinc/76/31/66/498763166.db2.gz XEDVMHRWKDIIEY-FGZHOGPDSA-N 2 0 368.521 3.100 20 0 FGADRP Cn1cc([C@H]2[C@@H](C[NH2+][C@H]3CCCc4ccc(O)cc43)CCCN2C)cn1 ZINC000366081179 498766980 /nfs/dbraw/zinc/76/69/80/498766980.db2.gz ASWAUNAOSSKGFV-TYCQWZJGSA-N 2 0 354.498 3.176 20 0 FGADRP COc1ccccc1[C@H](CNC1CC[NH+](C2CC2)CC1)[NH+]1CCCCC1 ZINC000298424678 498767023 /nfs/dbraw/zinc/76/70/23/498767023.db2.gz MUGDOHDJXPLMCY-NRFANRHFSA-N 2 0 357.542 3.439 20 0 FGADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NCC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000363372095 498784605 /nfs/dbraw/zinc/78/46/05/498784605.db2.gz SKPDSGAJDNFIAD-SEJPIABJSA-N 2 0 372.557 3.153 20 0 FGADRP O=C(Nc1ccc(CC[NH+]2CCCCC2)cc1)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000363373023 498785965 /nfs/dbraw/zinc/78/59/65/498785965.db2.gz AVUHHLGMTBOTGS-SFTDATJTSA-N 2 0 370.541 3.463 20 0 FGADRP C[C@H]1[C@H](NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000332820516 498803800 /nfs/dbraw/zinc/80/38/00/498803800.db2.gz KLUIQNPSFQZZPV-QFBILLFUSA-N 2 0 372.557 3.258 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCn2c(cnc2C2CCCCC2)C1 ZINC000332827797 498806978 /nfs/dbraw/zinc/80/69/78/498806978.db2.gz ZBMZONWECAFUEN-ROUUACIJSA-N 2 0 358.530 3.094 20 0 FGADRP C[NH2+][C@@H](C)C(=O)N(CC[NH+]1CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC000572974123 506093514 /nfs/dbraw/zinc/09/35/14/506093514.db2.gz MJCRNZMBXURLFS-ZDUSSCGKSA-N 2 0 358.313 3.026 20 0 FGADRP Cc1nccn1-c1ccc(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)cc1F ZINC000298555195 498811967 /nfs/dbraw/zinc/81/19/67/498811967.db2.gz VFHYOWAPRJFDLR-UHFFFAOYSA-N 2 0 365.456 3.473 20 0 FGADRP C[C@@H]1C[N@@H+](Cc2ccc(C[NH2+][C@H]3CCOC4(CCC4)C3)cc2)C[C@H](C)O1 ZINC000294843682 498824028 /nfs/dbraw/zinc/82/40/28/498824028.db2.gz UHPVNRXGIBSPNQ-UEXGIBASSA-N 2 0 358.526 3.487 20 0 FGADRP C[C@@H]1C[C@@H]([NH2+]C[C@H]2COc3ccccc3O2)CCN1Cc1ccccc1 ZINC000581963264 506101112 /nfs/dbraw/zinc/10/11/12/506101112.db2.gz SWKCLSYDQYAOQP-HOJAQTOUSA-N 2 0 352.478 3.469 20 0 FGADRP CCn1ccnc1[C@H]1CCCCN1C(=O)NC[C@@H]1CC[N@H+](CC(C)C)C1 ZINC000332985119 498858021 /nfs/dbraw/zinc/85/80/21/498858021.db2.gz DJWXMXYHSPARSH-ZWKOTPCHSA-N 2 0 361.534 3.118 20 0 FGADRP Cc1ccc(NC(=O)N2CCC[C@H]([NH+]3CCCC3)C2)c(OCC[NH+](C)C)c1 ZINC000363552592 498875520 /nfs/dbraw/zinc/87/55/20/498875520.db2.gz DYAJECDQBVMFPN-SFHVURJKSA-N 2 0 374.529 3.028 20 0 FGADRP COC(=O)c1cc2c(o1)c(OC)ccc2C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000579163761 506106712 /nfs/dbraw/zinc/10/67/12/506106712.db2.gz SOKHUIGVDKAYML-XYPWUTKMSA-N 2 0 372.465 3.285 20 0 FGADRP O=C(NCC[NH+]1CCCCC1)C1CC[NH+](Cc2ccc(Cl)s2)CC1 ZINC000363628391 498912903 /nfs/dbraw/zinc/91/29/03/498912903.db2.gz PVHZBXUFZBVOBK-UHFFFAOYSA-N 2 0 369.962 3.216 20 0 FGADRP COc1cc2c(cc1F)[nH+]ccc2N1CCC[N@@H+](C2CCOCC2)CC1 ZINC000366428329 498922206 /nfs/dbraw/zinc/92/22/06/498922206.db2.gz DPDMPSIUUJTSEQ-UHFFFAOYSA-N 2 0 359.445 3.074 20 0 FGADRP C[C@H](NC(=O)NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1)[C@@H]1CCC[NH2+]C1 ZINC000576253432 506114159 /nfs/dbraw/zinc/11/41/59/506114159.db2.gz GKBRBYHFSMPKNN-LVCYWYKZSA-N 2 0 372.557 3.248 20 0 FGADRP C[C@H]1[C@H](NC(=O)c2cccc(Cn3ccnc3)c2)CC[N@@H+]1Cc1ccccc1 ZINC000288265416 498980562 /nfs/dbraw/zinc/98/05/62/498980562.db2.gz PLQNPYWETWNEED-PGRDOPGGSA-N 2 0 374.488 3.324 20 0 FGADRP C[C@H](NC(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1)[C@H](c1ccccc1)[NH+](C)C ZINC000288309143 498991688 /nfs/dbraw/zinc/99/16/88/498991688.db2.gz XFINGXWAOYIGQJ-IOMROCGXSA-N 2 0 372.557 3.051 20 0 FGADRP C[C@@]1(NC(=O)NCCCCC[NH+]2CCCC2)CC[N@H+](Cc2ccccc2)C1 ZINC000582066431 506126233 /nfs/dbraw/zinc/12/62/33/506126233.db2.gz CJKDZHDFFHXMRE-JOCHJYFZSA-N 2 0 372.557 3.216 20 0 FGADRP COc1cc(C)c([C@@H](C)[NH2+]C2CCN(CC(=O)N3CCCC3)CC2)cc1C ZINC000363829877 499014464 /nfs/dbraw/zinc/01/44/64/499014464.db2.gz UHQPNFMHBIQWNK-GOSISDBHSA-N 2 0 373.541 3.049 20 0 FGADRP CC(CC[NH2+][C@@H](CCO)c1ccco1)CC[NH2+][C@@H](CCO)c1ccco1 ZINC000299397746 499046792 /nfs/dbraw/zinc/04/67/92/499046792.db2.gz RYFKYYMNMIMLJC-ROUUACIJSA-N 2 0 364.486 3.015 20 0 FGADRP OC[C@H]1CCC[N@@H+]1Cc1ccccc1CNc1nccc2cc(F)ccc21 ZINC000570276222 506130878 /nfs/dbraw/zinc/13/08/78/506130878.db2.gz RVLGUVBYNXSWJL-HXUWFJFHSA-N 2 0 365.452 3.365 20 0 FGADRP CCc1noc(C2CCC([NH2+]CC3([NH3+])C4CC5CC(C4)CC3C5)CC2)n1 ZINC000333886127 499093025 /nfs/dbraw/zinc/09/30/25/499093025.db2.gz XGEDCTFQXKVKBE-UHFFFAOYSA-N 2 0 358.530 3.401 20 0 FGADRP CN(C(=O)c1ccc(OC(C)(C)C)cc1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000364175084 499127433 /nfs/dbraw/zinc/12/74/33/499127433.db2.gz HJHPORNUQIUHPO-IBGZPJMESA-N 2 0 373.541 3.104 20 0 FGADRP COCCC[C@@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccc(F)cc1 ZINC000367022035 499135292 /nfs/dbraw/zinc/13/52/92/499135292.db2.gz GYTUIQOENKAHMR-TZIWHRDSSA-N 2 0 363.521 3.052 20 0 FGADRP C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000367065921 499142526 /nfs/dbraw/zinc/14/25/26/499142526.db2.gz HKOUCANVAFCYOT-SOLBZPMBSA-N 2 0 351.535 3.096 20 0 FGADRP C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000367065919 499142814 /nfs/dbraw/zinc/14/28/14/499142814.db2.gz HKOUCANVAFCYOT-NUJGCVRESA-N 2 0 351.535 3.096 20 0 FGADRP COCCCn1nccc1C[NH2+]CC1CC[NH+](Cc2ccc(C)cc2)CC1 ZINC000367233261 499165498 /nfs/dbraw/zinc/16/54/98/499165498.db2.gz XMXWZCHDGHYRJB-UHFFFAOYSA-N 2 0 370.541 3.230 20 0 FGADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CC[C@H](Cc3ccc(F)c(F)c3)C2)CC1 ZINC000367245512 499167738 /nfs/dbraw/zinc/16/77/38/499167738.db2.gz YBTQODBBEYMPRZ-LJQANCHMSA-N 2 0 365.512 3.245 20 0 FGADRP C[C@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccc(Br)cc1 ZINC000370111171 499182086 /nfs/dbraw/zinc/18/20/86/499182086.db2.gz KUXMLSAJGGVACO-WMLDXEAASA-N 2 0 366.347 3.268 20 0 FGADRP CSc1ccc(OC[C@H](O)C[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)cc1 ZINC000582109281 506136357 /nfs/dbraw/zinc/13/63/57/506136357.db2.gz MEKNWGICZYKASU-OAHLLOKOSA-N 2 0 352.544 3.047 20 0 FGADRP C[NH+](C)[C@@H](CNC(=O)NCCCC[N@H+](C)C1CC1)c1ccc(Cl)cc1 ZINC000573180495 506136928 /nfs/dbraw/zinc/13/69/28/506136928.db2.gz RJRCNCHJBVJUJC-SFHVURJKSA-N 2 0 366.937 3.116 20 0 FGADRP Cc1cc(Cl)ccc1NC(=O)N1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000367444360 499199663 /nfs/dbraw/zinc/19/96/63/499199663.db2.gz CHPYZSCSODVUCR-HNNXBMFYSA-N 2 0 364.921 3.281 20 0 FGADRP C[C@@H]1CN(C(=O)Nc2ccc(F)cc2Cl)CCN1C1CC[NH+](C)CC1 ZINC000367523534 499208653 /nfs/dbraw/zinc/20/86/53/499208653.db2.gz CRGCYNATRQQHOO-CYBMUJFWSA-N 2 0 368.884 3.111 20 0 FGADRP CSc1nnc(CCC[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)n1CC(C)C ZINC000367751726 499230631 /nfs/dbraw/zinc/23/06/31/499230631.db2.gz GEFNXJKMGKHEHM-BRWVUGGUSA-N 2 0 365.591 3.051 20 0 FGADRP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+]Cc1cccc(C[NH+]2CCCC2)c1 ZINC000370577675 499232942 /nfs/dbraw/zinc/23/29/42/499232942.db2.gz KZFMAIGHTJCCIF-WTIAFYNJSA-N 2 0 371.569 3.261 20 0 FGADRP COc1ccc([C@@H]2CCCC[C@@H]2[NH2+]C[C@@H](C)N2CC[NH+](C)CC2)cc1F ZINC000370628124 499237252 /nfs/dbraw/zinc/23/72/52/499237252.db2.gz HVKFNUXXVPMWNG-KPFFTGBYSA-N 2 0 363.521 3.086 20 0 FGADRP Cc1nccn1CCCC[N@@H+]1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 ZINC000367979696 499251577 /nfs/dbraw/zinc/25/15/77/499251577.db2.gz ZCQGRHVPGXYOMB-ZWKOTPCHSA-N 2 0 362.518 3.161 20 0 FGADRP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CC23CCN(C(=O)OC(C)(C)C)CC3)[C@H](C)C1 ZINC000368041483 499258592 /nfs/dbraw/zinc/25/85/92/499258592.db2.gz KKLISWSCVITCPN-IXDOHACOSA-N 2 0 351.535 3.096 20 0 FGADRP CC(C)[NH+]1CCC([NH2+][C@@H]2CC23CCN(C(=O)OC(C)(C)C)CC3)CC1 ZINC000368045608 499259211 /nfs/dbraw/zinc/25/92/11/499259211.db2.gz QIQHQMDFKMVZJC-QGZVFWFLSA-N 2 0 351.535 3.238 20 0 FGADRP c1nc2c([nH]1)C[C@@H]([NH2+][C@H]1CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]31)CC2 ZINC000368101819 499264111 /nfs/dbraw/zinc/26/41/11/499264111.db2.gz LQYAVKQBNLCZCD-HAGHYFMRSA-N 2 0 350.510 3.157 20 0 FGADRP CCC[N@H+](C)C[C@H]1CCN(Cc2nc3c(s2)C[NH+](C(C)C)CC3)C1 ZINC000368158136 499269936 /nfs/dbraw/zinc/26/99/36/499269936.db2.gz GPZFXKGSMBETEO-MRXNPFEDSA-N 2 0 350.576 3.073 20 0 FGADRP C[N@@H+](Cc1ccc(-c2cc[nH]n2)o1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000368454297 499297419 /nfs/dbraw/zinc/29/74/19/499297419.db2.gz KACRBMIGFLDFAL-UHFFFAOYSA-N 2 0 351.454 3.413 20 0 FGADRP O[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]C2CCC(O)(c3ccccc3)CC2)CC1 ZINC000368494614 499301774 /nfs/dbraw/zinc/30/17/74/499301774.db2.gz NSQMQAGKHWEDQR-JZEAKTPCSA-N 2 0 372.553 3.174 20 0 FGADRP C[C@@H]1C[N@H+](CCCSCc2ccccc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000371301235 499307371 /nfs/dbraw/zinc/30/73/71/499307371.db2.gz DOJPVODPKIBLOU-TZIWHRDSSA-N 2 0 361.599 3.268 20 0 FGADRP Brc1cnn(CCC[NH2+]C2CC[NH+](C3CCCCC3)CC2)c1 ZINC000368566044 499308161 /nfs/dbraw/zinc/30/81/61/499308161.db2.gz GSSMAVVWYQMWDN-UHFFFAOYSA-N 2 0 369.351 3.422 20 0 FGADRP CC(C)[NH+]1CCC(NC(=O)[C@@H]2CCn3c(cnc3C3CCCCC3)C2)CC1 ZINC000368600377 499312509 /nfs/dbraw/zinc/31/25/09/499312509.db2.gz HFEQFVYJSZEJJM-GOSISDBHSA-N 2 0 372.557 3.482 20 0 FGADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+]C[C@@H](O)CO[C@@H](C)c2ccc(Cl)cc2)C1 ZINC000573199287 506142123 /nfs/dbraw/zinc/14/21/23/506142123.db2.gz SCQGGGNTUOKMSV-SQGPQFPESA-N 2 0 368.949 3.489 20 0 FGADRP Cc1nccn1CCC[N@@H+]1CCC2(C1)CCN(C(=O)OC(C)(C)C)CC2 ZINC000371450667 499328054 /nfs/dbraw/zinc/32/80/54/499328054.db2.gz NACMHILRKKJPHB-UHFFFAOYSA-N 2 0 362.518 3.305 20 0 FGADRP CC1CCC([NH+]2CCC(NC(=O)N3CCC(C[NH+](C)C)CC3)CC2)CC1 ZINC000368986979 499353669 /nfs/dbraw/zinc/35/36/69/499353669.db2.gz NFHIUNCPVFMHTE-UHFFFAOYSA-N 2 0 364.578 3.013 20 0 FGADRP O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)NC1CC([NH+]2CCCCC2)C1 ZINC000369093366 499364999 /nfs/dbraw/zinc/36/49/99/499364999.db2.gz VGOIJFDBGXYIBK-CTWPCTMYSA-N 2 0 374.529 3.123 20 0 FGADRP C(C[NH2+][C@H]1CCCC12CCOCC2)C[NH2+][C@H]1CCCC12CCOCC2 ZINC000369204772 499377084 /nfs/dbraw/zinc/37/70/84/499377084.db2.gz HKFVVVQPZUEWST-OALUTQOASA-N 2 0 350.547 3.254 20 0 FGADRP CC(C)n1cc([C@@H](C)[NH2+]CCC2CC[NH+](C3CCN(C)CC3)CC2)cn1 ZINC000372056290 499394197 /nfs/dbraw/zinc/39/41/97/499394197.db2.gz LOHIHDYFOYYIEN-GOSISDBHSA-N 2 0 361.578 3.311 20 0 FGADRP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](C[C@@H]2CCOc3ccccc32)CC1 ZINC000372410054 499431667 /nfs/dbraw/zinc/43/16/67/499431667.db2.gz OKDMWWVSXOYRIX-AQNXPRMDSA-N 2 0 357.542 3.043 20 0 FGADRP Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)C[C@@H]1CCC[NH2+]CC1 ZINC000373516428 499474421 /nfs/dbraw/zinc/47/44/21/499474421.db2.gz OXZQYKMFEFRHOD-QGZVFWFLSA-N 2 0 361.555 3.262 20 0 FGADRP C[C@H]1C[N@H+](CCCOc2cccc(Cl)c2)CCN1C1CC[NH+](C)CC1 ZINC000378369460 499508164 /nfs/dbraw/zinc/50/81/64/499508164.db2.gz KVZZSQLIYQPNHV-KRWDZBQOSA-N 2 0 365.949 3.209 20 0 FGADRP C[N@H+](Cc1cc(F)cc2c1OCOC2)C1CCN(Cc2ccncc2)CC1 ZINC000378384037 499509980 /nfs/dbraw/zinc/50/99/80/499509980.db2.gz MWXUXQRWMYSWPI-UHFFFAOYSA-N 2 0 371.456 3.184 20 0 FGADRP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+]CCCc1ccc2c(c1)CCO2 ZINC000375628194 499538953 /nfs/dbraw/zinc/53/89/53/499538953.db2.gz MZVMOVHVRGAHKY-JRGCBEDISA-N 2 0 358.526 3.033 20 0 FGADRP C[NH2+]CCc1ccccc1C(=O)N(C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000388342384 499550717 /nfs/dbraw/zinc/55/07/17/499550717.db2.gz NFXAGVKZRRGJBS-NRFANRHFSA-N 2 0 365.521 3.185 20 0 FGADRP Cn1ncc2c1ncnc2NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000388975283 499551901 /nfs/dbraw/zinc/55/19/01/499551901.db2.gz PLWFAOINSBFWFP-QGZVFWFLSA-N 2 0 350.470 3.078 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCC(=O)Nc1c(F)cccc1F ZINC000397985807 499565393 /nfs/dbraw/zinc/56/53/93/499565393.db2.gz OEKNVPVCVLOKOF-BEFAXECRSA-N 2 0 373.447 3.404 20 0 FGADRP Cc1cccc(OC[C@H](O)C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000397960967 499565778 /nfs/dbraw/zinc/56/57/78/499565778.db2.gz DZJHZXCAJIWAQY-XKCSPQBFSA-N 2 0 368.521 3.235 20 0 FGADRP COc1ccc([C@H](C)[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1Br ZINC000400919834 499569083 /nfs/dbraw/zinc/56/90/83/499569083.db2.gz JBVBWOCBSXFGLK-SPWCGHHHSA-N 2 0 353.304 3.496 20 0 FGADRP O=C(C[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)Nc1ccc(Cl)cc1 ZINC000579342290 506151288 /nfs/dbraw/zinc/15/12/88/506151288.db2.gz BPOKSPUKSNAGSE-YLJYHZDGSA-N 2 0 371.868 3.124 20 0 FGADRP O=C(c1c[nH]c2ccccc12)N1CCCN(CCC[NH+]2CCCCC2)CC1 ZINC000376394537 499605323 /nfs/dbraw/zinc/60/53/23/499605323.db2.gz ABRWCVKMJZKOQR-UHFFFAOYSA-N 2 0 368.525 3.192 20 0 FGADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)NC[C@@H](C)[NH+]1CCC[C@H](C)C1 ZINC000410394675 499660045 /nfs/dbraw/zinc/66/00/45/499660045.db2.gz ZPHKMPXUDYLLPC-RBUKOAKNSA-N 2 0 374.573 3.446 20 0 FGADRP C[NH+](C)Cc1ccccc1C(=O)N1C[C@@H]2C[N@H+](C)[C@H](c3ccccc3)[C@H]2C1 ZINC000377320073 499679701 /nfs/dbraw/zinc/67/97/01/499679701.db2.gz GSEONSPDRFIWBY-ILWGZMRPSA-N 2 0 363.505 3.123 20 0 FGADRP Cc1nn(C)c(N2CCC[N@H+](C)CC2)c1C[NH2+][C@@H]1C[C@H](C)c2ccccc21 ZINC000377563678 499704774 /nfs/dbraw/zinc/70/47/74/499704774.db2.gz MBAAAKXXRCXACN-HRAATJIYSA-N 2 0 367.541 3.209 20 0 FGADRP COc1ccc2c(c1)CCC[C@H]2[N@@H+]1CCC[C@@H](CN2CC[NH+](C)CC2)C1 ZINC000377618193 499711022 /nfs/dbraw/zinc/71/10/22/499711022.db2.gz BRHOKMZDTDAEAF-PGRDOPGGSA-N 2 0 357.542 3.032 20 0 FGADRP C[NH+]1CCN(C[C@H]2CCC[N@H+](Cc3cccc(OC(F)(F)F)c3)C2)CC1 ZINC000377618230 499711068 /nfs/dbraw/zinc/71/10/68/499711068.db2.gz BVJPLSBWCXCYNA-QGZVFWFLSA-N 2 0 371.447 3.045 20 0 FGADRP CCCNC(=O)[C@H]1CCC[N@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000411227007 499713975 /nfs/dbraw/zinc/71/39/75/499713975.db2.gz UJQGSZWOXBPRHR-NRFANRHFSA-N 2 0 357.542 3.411 20 0 FGADRP CC(C)[NH+]1CCC(NC(=O)C[NH2+][C@H](c2ccc(F)cc2)C2CCC2)CC1 ZINC000411362359 499729872 /nfs/dbraw/zinc/72/98/72/499729872.db2.gz IJVWEIQADYWYPB-NRFANRHFSA-N 2 0 361.505 3.246 20 0 FGADRP [NH3+][C@@H]1CCCC[C@H]1NC(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000570391430 506157403 /nfs/dbraw/zinc/15/74/03/506157403.db2.gz UPIMGPLXORRALW-WOJBJXKFSA-N 2 0 358.530 3.132 20 0 FGADRP O=C1NCCCN1C1CC[NH+](Cc2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC000411398952 499734798 /nfs/dbraw/zinc/73/47/98/499734798.db2.gz KIZCFJOKJAYOMW-UHFFFAOYSA-N 2 0 370.541 3.052 20 0 FGADRP CC[NH+]1CCC(NC(=O)C[NH2+][C@H](CC(C)(C)C)c2ccc(F)cc2)CC1 ZINC000411443471 499741006 /nfs/dbraw/zinc/74/10/06/499741006.db2.gz CIHLFKQSHJVBHB-LJQANCHMSA-N 2 0 363.521 3.493 20 0 FGADRP CCC(CC)[C@@H]([NH2+]CC(=O)NC1CC[NH+](CC)CC1)c1cccs1 ZINC000411448701 499741754 /nfs/dbraw/zinc/74/17/54/499741754.db2.gz FIJRGMGQVJFCDP-LJQANCHMSA-N 2 0 351.560 3.416 20 0 FGADRP O=C(c1cccc(C[NH+]2CCCCC2)c1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000411516086 499750101 /nfs/dbraw/zinc/75/01/01/499750101.db2.gz JDLRYSXAYVRTPX-NRFANRHFSA-N 2 0 355.526 3.373 20 0 FGADRP CC(C)C[C@H]([NH2+]CC(=O)NC1CC[NH+](C(C)C)CC1)c1cccs1 ZINC000411515217 499750163 /nfs/dbraw/zinc/75/01/63/499750163.db2.gz UZTSAQIHEAYGDS-KRWDZBQOSA-N 2 0 351.560 3.414 20 0 FGADRP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]CCc1nc2ccccc2c(=O)[nH]1 ZINC000411547388 499753382 /nfs/dbraw/zinc/75/33/82/499753382.db2.gz CEOQZMQZXHYLTP-AEFFLSMTSA-N 2 0 356.514 3.368 20 0 FGADRP Cc1nc2c(s1)[C@@H]([NH2+]CC1(O)CC[NH+](Cc3ccccc3)CC1)CCC2 ZINC000414310959 499776268 /nfs/dbraw/zinc/77/62/68/499776268.db2.gz ULQDFVLBYBJCBY-SFHVURJKSA-N 2 0 371.550 3.446 20 0 FGADRP Oc1cccc2c1CCC[C@H]2[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000414310475 499776401 /nfs/dbraw/zinc/77/64/01/499776401.db2.gz TWYMOKYXCJEFQN-OAQYLSRUSA-N 2 0 366.505 3.386 20 0 FGADRP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1)c1cccs1 ZINC000414320170 499777240 /nfs/dbraw/zinc/77/72/40/499777240.db2.gz BIAZVYKVGVDKSU-HNNXBMFYSA-N 2 0 357.523 3.296 20 0 FGADRP NC(=O)C1CC[NH+](Cc2ccc(C[NH2+][C@@H]3CCCC[C@@H]3C3CC3)cc2)CC1 ZINC000414346424 499779727 /nfs/dbraw/zinc/77/97/27/499779727.db2.gz VEAQLILYAUOFAT-FGZHOGPDSA-N 2 0 369.553 3.442 20 0 FGADRP C[C@](CO)([NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1)c1cccc(O)c1 ZINC000411733469 499784189 /nfs/dbraw/zinc/78/41/89/499784189.db2.gz GKOSVKXCWDRFCW-JOCHJYFZSA-N 2 0 354.494 3.375 20 0 FGADRP NC(=O)C1CC[NH+](Cc2ccc(C[NH2+]C/C=C/c3ccccc3)cc2)CC1 ZINC000414551998 499807453 /nfs/dbraw/zinc/80/74/53/499807453.db2.gz GDEHXBPVYSXWIA-QPJJXVBHSA-N 2 0 363.505 3.187 20 0 FGADRP Cc1cccc(C[NH2+]Cc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)c1C ZINC000414553676 499807664 /nfs/dbraw/zinc/80/76/64/499807664.db2.gz JELPEPHTIDCAGW-UHFFFAOYSA-N 2 0 365.521 3.291 20 0 FGADRP [NH3+]CC(=O)N1CCC[C@@H](C[N@@H+]2CCC[C@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000414670384 499819277 /nfs/dbraw/zinc/81/92/77/499819277.db2.gz DCVLUWXHQHMWBH-GUYCJALGSA-N 2 0 370.324 3.328 20 0 FGADRP CC[N@@H+](CC(=O)Nc1ccccc1C(F)(F)F)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414729921 499823964 /nfs/dbraw/zinc/82/39/64/499823964.db2.gz GBTWGHAQMKRRMB-ZIAGYGMSSA-N 2 0 357.420 3.354 20 0 FGADRP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)Nc1ccc([C@H](C)[NH3+])cc1 ZINC000414731868 499824203 /nfs/dbraw/zinc/82/42/03/499824203.db2.gz SZSPWLGVKBODNB-INIZCTEOSA-N 2 0 367.497 3.411 20 0 FGADRP C[C@H]1C[C@@H](C[NH+]2CCN(C(=O)c3cc4ccccc4s3)CC2)CC[NH2+]1 ZINC000414769671 499828731 /nfs/dbraw/zinc/82/87/31/499828731.db2.gz WZJATWPMZHGHLW-HOTGVXAUSA-N 2 0 357.523 3.047 20 0 FGADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000414796798 499832315 /nfs/dbraw/zinc/83/23/15/499832315.db2.gz IAODXLKZSOQMRH-ZBFHGGJFSA-N 2 0 352.404 3.498 20 0 FGADRP C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000414798459 499832452 /nfs/dbraw/zinc/83/24/52/499832452.db2.gz JDUJQSDXVGOVNX-RVKKMQEKSA-N 2 0 351.922 3.184 20 0 FGADRP C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000414799157 499832635 /nfs/dbraw/zinc/83/26/35/499832635.db2.gz JUIFRUTYDDBAOS-DVOMOZLQSA-N 2 0 368.319 3.273 20 0 FGADRP CCC([NH3+])(CC)C[NH2+][C@H](C)CC(=O)Nc1ccc(Br)cc1 ZINC000414809272 499833443 /nfs/dbraw/zinc/83/34/43/499833443.db2.gz LVOIWSQWVFRRPS-GFCCVEGCSA-N 2 0 356.308 3.273 20 0 FGADRP CCOc1cc(C[NH2+][C@H]2CCCC[C@@H]2C[NH3+])cc(Br)c1OC ZINC000414809369 499833534 /nfs/dbraw/zinc/83/35/34/499833534.db2.gz UBEMXIHTUSZTHF-HIFRSBDPSA-N 2 0 371.319 3.464 20 0 FGADRP C[C@@H]([NH3+])c1ccc(C[NH2+]Cc2c[nH]nc2-c2ccc3c(c2)OCO3)cc1 ZINC000414816068 499834177 /nfs/dbraw/zinc/83/41/77/499834177.db2.gz ZDSIIUKXGHAGIQ-CYBMUJFWSA-N 2 0 350.422 3.115 20 0 FGADRP COc1ccc(C(=O)Nc2cccc(C[NH2+]CC[C@@H]3CCC[NH2+]C3)c2)cc1 ZINC000414840776 499836542 /nfs/dbraw/zinc/83/65/42/499836542.db2.gz NGSYBPXKDVDQFS-KRWDZBQOSA-N 2 0 367.493 3.427 20 0 FGADRP C[C@H]([NH2+]Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1)[C@@H]1CCC[NH2+]C1 ZINC000414848250 499837245 /nfs/dbraw/zinc/83/72/45/499837245.db2.gz GEOZHUAFUFYLJL-DZGCQCFKSA-N 2 0 352.404 3.369 20 0 FGADRP C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000414849285 499837611 /nfs/dbraw/zinc/83/76/11/499837611.db2.gz XXUULAKYFXEREF-ZIAGYGMSSA-N 2 0 373.419 3.282 20 0 FGADRP C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000414851909 499838050 /nfs/dbraw/zinc/83/80/50/499838050.db2.gz JNMRBQKSXCWJRN-MGPQQGTHSA-N 2 0 368.319 3.144 20 0 FGADRP CC(C)c1ccc([C@H]([NH3+])CNCc2ccc(S(C)(=O)=O)s2)cc1 ZINC000414853898 499838291 /nfs/dbraw/zinc/83/82/91/499838291.db2.gz YNECCCOYQGAFRN-MRXNPFEDSA-N 2 0 352.525 3.065 20 0 FGADRP O=C(Nc1ccc(CC[NH+]2CCCCC2)cc1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000414965775 499849686 /nfs/dbraw/zinc/84/96/86/499849686.db2.gz NTBSVHDZGFQXDV-QFIPXVFZSA-N 2 0 370.541 3.322 20 0 FGADRP COCC1(C[NH2+]Cc2ccc(Oc3cccnc3)c(C)c2)CC[NH2+]CC1 ZINC000414983692 499851565 /nfs/dbraw/zinc/85/15/65/499851565.db2.gz ZOTSASVIJCECBI-UHFFFAOYSA-N 2 0 355.482 3.288 20 0 FGADRP Cc1cccn2cc(COc3ccc(C[NH2+][C@H]4CC[C@H](C[NH3+])C4)cc3)nc12 ZINC000415028697 499856158 /nfs/dbraw/zinc/85/61/58/499856158.db2.gz DBXGJQHKLSINBG-OALUTQOASA-N 2 0 364.493 3.439 20 0 FGADRP [NH3+]C[C@H]1CC[C@@H]([NH2+]Cc2ccc(Br)c(Br)c2)C1 ZINC000415033141 499856329 /nfs/dbraw/zinc/85/63/29/499856329.db2.gz IPWSXKXDUJLKHF-GXSJLCMTSA-N 2 0 362.109 3.429 20 0 FGADRP C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000415055314 499858820 /nfs/dbraw/zinc/85/88/20/499858820.db2.gz OHDZCKFRPKOKMB-VNCLNFNDSA-N 2 0 369.475 3.442 20 0 FGADRP c1cc(-c2ncc(C[NH2+]C3CCC(N4CC[NH2+]CC4)CC3)s2)cs1 ZINC000415060038 499859793 /nfs/dbraw/zinc/85/97/93/499859793.db2.gz VXTOZPVGRDCYFC-UHFFFAOYSA-N 2 0 362.568 3.178 20 0 FGADRP C[NH+](C)CCOc1ccccc1CN[C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000415078155 499861379 /nfs/dbraw/zinc/86/13/79/499861379.db2.gz FQXSGRVKCKLZMW-RTWAWAEBSA-N 2 0 353.510 3.210 20 0 FGADRP C[C@@H]1C[C@@H](C[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccncc2)CC[NH2+]1 ZINC000415085211 499861986 /nfs/dbraw/zinc/86/19/86/499861986.db2.gz SCGNTDOYABYVGC-MSOLQXFVSA-N 2 0 361.493 3.412 20 0 FGADRP C[C@]1(C[NH2+]C2CCN(Cc3cccc(C(F)(F)F)c3)CC2)CC[NH2+]C1 ZINC000415099641 499863401 /nfs/dbraw/zinc/86/34/01/499863401.db2.gz GTPJKVGDLJRUIG-SFHVURJKSA-N 2 0 355.448 3.259 20 0 FGADRP Cc1ccc(C[NH+]2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)c(Br)c1 ZINC000415104472 499863873 /nfs/dbraw/zinc/86/38/73/499863873.db2.gz GZFUGCLJDUUCCD-MSOLQXFVSA-N 2 0 367.331 3.476 20 0 FGADRP COc1cc(C[NH+]2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)ccc1SC ZINC000415121494 499866328 /nfs/dbraw/zinc/86/63/28/499866328.db2.gz IEEDMWRRNWFNGC-SJORKVTESA-N 2 0 350.528 3.135 20 0 FGADRP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000415124001 499866846 /nfs/dbraw/zinc/86/68/46/499866846.db2.gz LXXUIDHGLNHPSK-FGZHOGPDSA-N 3 0 373.585 3.363 20 0 FGADRP C[C@@H](C[NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1)Cc1ccccc1 ZINC000415132351 499868432 /nfs/dbraw/zinc/86/84/32/499868432.db2.gz KYXVXZGZEKUBMB-HXUWFJFHSA-N 2 0 351.538 3.448 20 0 FGADRP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](Cc2c(F)cccc2N2CCCC2)CC1 ZINC000415137156 499869397 /nfs/dbraw/zinc/86/93/97/499869397.db2.gz XTZVQXKILUEIRN-TZIWHRDSSA-N 2 0 361.505 3.144 20 0 FGADRP CC[NH+](CC)CCOc1ccc(NC(=O)N2CCCC[C@@H]2[C@@H](C)[NH3+])cc1 ZINC000415173000 499873184 /nfs/dbraw/zinc/87/31/84/499873184.db2.gz AXEWXYYCZSGUDH-VQIMIIECSA-N 2 0 362.518 3.141 20 0 FGADRP CC[NH+](CC)CCOc1ccc(NC(=O)N[C@H](C[NH3+])C2CCCC2)cc1 ZINC000415180003 499874017 /nfs/dbraw/zinc/87/40/17/499874017.db2.gz KQPZCHXQRYVKRT-LJQANCHMSA-N 2 0 362.518 3.046 20 0 FGADRP C[C@@H]1C[C@@H](N(C)C(=O)C23CCC[NH+]2CCC3)CC[N@@H+]1Cc1ccccc1 ZINC000415201388 499876503 /nfs/dbraw/zinc/87/65/03/499876503.db2.gz KOXQAMDGNSJJPC-QUCCMNQESA-N 2 0 355.526 3.126 20 0 FGADRP CC1CC[NH+](CCc2cccc(NC(=O)N3C[C@H](C)[NH2+]C[C@H]3C)c2)CC1 ZINC000415386813 499890693 /nfs/dbraw/zinc/89/06/93/499890693.db2.gz GKZUHAJUXKLNSV-ZWKOTPCHSA-N 2 0 358.530 3.175 20 0 FGADRP C[NH+](C)CCc1ccccc1NC(=O)N1CCCC[C@@H]1[C@H]1CCC[NH2+]C1 ZINC000415561115 499902311 /nfs/dbraw/zinc/90/23/11/499902311.db2.gz GHGHVLWURRXYMN-AZUAARDMSA-N 2 0 358.530 3.177 20 0 FGADRP C[NH+](C)[C@H]1CCc2cc(NC(=O)N3CCC([C@H]4CC[NH2+]C4)CC3)ccc21 ZINC000415781266 499918420 /nfs/dbraw/zinc/91/84/20/499918420.db2.gz CULUFTIYSYGYKX-PXNSSMCTSA-N 2 0 356.514 3.089 20 0 FGADRP C[NH2+]Cc1ccccc1NC(=O)N(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000415912185 499927724 /nfs/dbraw/zinc/92/77/24/499927724.db2.gz KQCUTIOOZYSAMD-UHFFFAOYSA-N 2 0 367.497 3.181 20 0 FGADRP CC(C)(CC[NH+]1CCCCCC1)NC(=O)Nc1ccc(OCC[NH3+])cc1 ZINC000415944158 499931537 /nfs/dbraw/zinc/93/15/37/499931537.db2.gz HQIWVRHXUUWTPL-UHFFFAOYSA-N 2 0 362.518 3.190 20 0 FGADRP C[C@H](NC(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1)C(C)(C)C[NH+](C)C ZINC000415951149 499932785 /nfs/dbraw/zinc/93/27/85/499932785.db2.gz FKIZAGJJBNVQEF-NSHDSACASA-N 2 0 360.424 3.262 20 0 FGADRP C[NH2+]Cc1ccc(NC(=O)N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000415966830 499934925 /nfs/dbraw/zinc/93/49/25/499934925.db2.gz AQGWTVCEFRLXHV-HXUWFJFHSA-N 2 0 366.509 3.392 20 0 FGADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000415971638 499935563 /nfs/dbraw/zinc/93/55/63/499935563.db2.gz NTBKLEOOSLQBDF-LBPRGKRZSA-N 2 0 358.408 3.160 20 0 FGADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)Nc1ccc(C[NH3+])cc1 ZINC000415972292 499935696 /nfs/dbraw/zinc/93/56/96/499935696.db2.gz HZIFPYRLEGSAKP-OXJNMPFZSA-N 2 0 352.482 3.177 20 0 FGADRP CC1CC[NH+](C[C@@H]2CCCN(C(=O)Nc3ccc4c(c3)C[NH2+]C4)C2)CC1 ZINC000415988228 499938082 /nfs/dbraw/zinc/93/80/82/499938082.db2.gz CNIGDFNTGDUKOT-KRWDZBQOSA-N 2 0 356.514 3.266 20 0 FGADRP CN(C(=O)Nc1ccc2c(c1)C[NH2+]C2)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000415996150 499939032 /nfs/dbraw/zinc/93/90/32/499939032.db2.gz MLVNDFXLWUGKSW-NRFANRHFSA-N 2 0 364.493 3.418 20 0 FGADRP CN(C(=O)C1CC[NH+](Cc2ccccc2)CC1)C(C)(C)C[NH+]1CCCC1 ZINC000416105961 499948950 /nfs/dbraw/zinc/94/89/50/499948950.db2.gz LVMKWGZTHINCPT-UHFFFAOYSA-N 2 0 357.542 3.231 20 0 FGADRP CC(C)C[C@@H](CNC(=O)c1ccnc(C[NH3+])c1)[NH2+][C@H](C)c1ccccc1 ZINC000582239136 506166175 /nfs/dbraw/zinc/16/61/75/506166175.db2.gz NZPBHWUFHBXYFO-UZLBHIALSA-N 2 0 354.498 3.036 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N(CCC[NH3+])Cc1ccccc1 ZINC000417027981 499951512 /nfs/dbraw/zinc/95/15/12/499951512.db2.gz BDUUVOICHYONLC-LJQANCHMSA-N 2 0 360.546 3.202 20 0 FGADRP CC(C)C[C@@H](CNC(=O)c1ccnc(C[NH3+])c1)[NH2+][C@@H](C)c1ccccc1 ZINC000582239133 506166416 /nfs/dbraw/zinc/16/64/16/506166416.db2.gz NZPBHWUFHBXYFO-JXFKEZNVSA-N 2 0 354.498 3.036 20 0 FGADRP COc1cccc([C@H](C)[NH+]2CCN(Cc3ccc4c(c3)C[NH2+]CC4)CC2)c1 ZINC000570456370 506171002 /nfs/dbraw/zinc/17/10/02/506171002.db2.gz UZTJHNQEPFHWRI-SFHVURJKSA-N 2 0 365.521 3.220 20 0 FGADRP C[NH+](C)[C@H](CC(=O)NCC1CCN(c2cc[nH+]cc2)CC1)c1ccccc1 ZINC000416195367 499976729 /nfs/dbraw/zinc/97/67/29/499976729.db2.gz USRXSWKQLCQCQI-OAQYLSRUSA-N 2 0 366.509 3.107 20 0 FGADRP C[C@@H]1CCC[C@](CNC(=O)N[C@H](CCC[NH3+])c2ccccc2)([NH+](C)C)C1 ZINC000417209675 500005583 /nfs/dbraw/zinc/00/55/83/500005583.db2.gz CUAALOLAEHSIFM-QFUCXCTJSA-N 2 0 360.546 3.276 20 0 FGADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1C[C@H](C)C[C@H](C(=O)OC(C)(C)C)C1 ZINC000421383840 500033684 /nfs/dbraw/zinc/03/36/84/500033684.db2.gz LYOATLOPRDSEDE-WBVHZDCISA-N 2 0 370.497 3.375 20 0 FGADRP Cc1ccc([C@@H](CNC(=O)NCc2ccc([C@@H](C)[NH3+])cc2)[NH+]2CCCC2)o1 ZINC000417414679 500066611 /nfs/dbraw/zinc/06/66/11/500066611.db2.gz DJJRZJFPPXPDRZ-VQIMIIECSA-N 2 0 370.497 3.244 20 0 FGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC(Cc2nc3ccccc3[nH]2)CC1 ZINC000425316748 500073210 /nfs/dbraw/zinc/07/32/10/500073210.db2.gz MBJSOPPHOFWCHQ-IBGZPJMESA-N 2 0 354.498 3.218 20 0 FGADRP CC1CC[NH+](Cc2cccc(CNC(=O)NC[C@@H]3CCC[C@@H]([NH3+])C3)c2)CC1 ZINC000417467562 500082300 /nfs/dbraw/zinc/08/23/00/500082300.db2.gz MFOOJRJXPOAPBM-TZIWHRDSSA-N 2 0 372.557 3.235 20 0 FGADRP C[C@@H]([NH3+])c1ccc(CNC(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000429515570 500091698 /nfs/dbraw/zinc/09/16/98/500091698.db2.gz BSCVZLOQSCOCLF-UTKZUKDTSA-N 2 0 351.494 3.235 20 0 FGADRP C[NH+](C)[C@@H]1CCCN(C[C@H](O)COc2cc(Cl)ccc2Cl)CC1 ZINC000429541382 500097240 /nfs/dbraw/zinc/09/72/40/500097240.db2.gz OUKANZWKCDBLHP-CABCVRRESA-N 2 0 361.313 3.149 20 0 FGADRP CO[C@H](C[NH+]1CCCC2(CCC[N@@H+](C[C@@H](OC)C3CC3)C2)C1)C1CC1 ZINC000425440055 500106876 /nfs/dbraw/zinc/10/68/76/500106876.db2.gz COEVCVKPXGPPEQ-OSBQEZSISA-N 2 0 350.547 3.014 20 0 FGADRP C[C@H]1CC[C@@H]([N@H+](C)CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)C1 ZINC000429585814 500108762 /nfs/dbraw/zinc/10/87/62/500108762.db2.gz UGWHXUFBPAPFMG-QFBILLFUSA-N 2 0 361.555 3.294 20 0 FGADRP C[C@H]([NH3+])c1ccc(CNC(=O)NC[C@H](C)[N@H+](C)Cc2ccccc2)cc1 ZINC000417587096 500118607 /nfs/dbraw/zinc/11/86/07/500118607.db2.gz NMXBFGLSMTYBPZ-IRXDYDNUSA-N 2 0 354.498 3.026 20 0 FGADRP Cc1ccc2c(C[NH+]3CCC(OCC[NH+]4CCCC4)CC3)ccc(O)c2n1 ZINC000429695729 500124884 /nfs/dbraw/zinc/12/48/84/500124884.db2.gz HVOYYSGXAZCMEP-UHFFFAOYSA-N 2 0 369.509 3.326 20 0 FGADRP CCCN(C(=O)NCc1ccccc1C[NH+]1CCCCCC1)[C@H]1CC[NH2+]C1 ZINC000417622644 500127482 /nfs/dbraw/zinc/12/74/82/500127482.db2.gz MILYCSVJOFSRIO-NRFANRHFSA-N 2 0 372.557 3.346 20 0 FGADRP [NH3+]C[C@@H](NC(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1)C1CCCCC1 ZINC000416822242 500130114 /nfs/dbraw/zinc/13/01/14/500130114.db2.gz WRSGAKPRVOCQFP-QZTJIDSGSA-N 2 0 362.518 3.013 20 0 FGADRP COc1ccc([C@@H](C)[NH2+]Cc2ccnc(N3CC[NH+](C)CC3)c2)c(C)c1 ZINC000414072956 500145247 /nfs/dbraw/zinc/14/52/47/500145247.db2.gz NAOJXMGUZVJLFV-QGZVFWFLSA-N 2 0 354.498 3.001 20 0 FGADRP [NH3+]C[C@H](NC(=O)NCCC[NH+]1CCCCC1)c1ccc2ccccc2c1 ZINC000416879001 500146516 /nfs/dbraw/zinc/14/65/16/500146516.db2.gz WPHXEUPJXWTOIM-FQEVSTJZSA-N 2 0 354.498 3.015 20 0 FGADRP CC[NH+](CC)Cc1ccccc1CNC(=O)N1CCC(CC[NH2+]C)CC1 ZINC000416889851 500148277 /nfs/dbraw/zinc/14/82/77/500148277.db2.gz KXYMIVNZJQCGTN-UHFFFAOYSA-N 2 0 360.546 3.060 20 0 FGADRP C[C@H]([NH2+]C1(CNC(=O)N[C@H]2CC[NH2+][C@H](C)C2)CCCC1)c1ccccc1 ZINC000417696165 500150913 /nfs/dbraw/zinc/15/09/13/500150913.db2.gz BZVSWGZCVPGMOG-AOIWGVFYSA-N 2 0 358.530 3.090 20 0 FGADRP CCC(CC)(CNC(=O)N1CC[C@H]([NH3+])[C@H](C)C1)[NH2+][C@H](C)c1ccccc1 ZINC000417709550 500153976 /nfs/dbraw/zinc/15/39/76/500153976.db2.gz SXYCJJZPSZKNSL-LMMKCTJWSA-N 2 0 360.546 3.275 20 0 FGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@@H](C)Cc2ccc(F)cc2Cl)CC1 ZINC000421823509 500159822 /nfs/dbraw/zinc/15/98/22/500159822.db2.gz DDAJXDOAPPPTKD-HOTGVXAUSA-N 2 0 355.929 3.273 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N1CCC([C@H]2[NH2+]CC2(C)C)CC1)CC(C)C ZINC000416959153 500166767 /nfs/dbraw/zinc/16/67/67/500166767.db2.gz PUIVTQJUOQOPGT-RBUKOAKNSA-N 2 0 366.594 3.163 20 0 FGADRP C[NH2+]C[C@H]1CCCN(C(=O)NCc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)C1 ZINC000416967098 500168733 /nfs/dbraw/zinc/16/87/33/500168733.db2.gz GTGNUIZOSHDRSR-WIYYLYMNSA-N 2 0 372.557 3.060 20 0 FGADRP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000416971851 500170530 /nfs/dbraw/zinc/17/05/30/500170530.db2.gz HRMOBLZAADZXSU-LQWHRVPQSA-N 2 0 372.557 3.472 20 0 FGADRP CC[NH2+]CC1CCN(C(=O)NCc2ccccc2C[N@H+](C)C(C)C)CC1 ZINC000416974576 500172003 /nfs/dbraw/zinc/17/20/03/500172003.db2.gz XGHISTSSGCGYDY-UHFFFAOYSA-N 2 0 360.546 3.058 20 0 FGADRP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000416979469 500173811 /nfs/dbraw/zinc/17/38/11/500173811.db2.gz SOVGJENXGAIWQY-DZFGPLHGSA-N 2 0 370.541 3.097 20 0 FGADRP C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)NCCC[NH2+]C2CC2)C1 ZINC000416979496 500173986 /nfs/dbraw/zinc/17/39/86/500173986.db2.gz AENUHPJBZQQKLN-ROUUACIJSA-N 2 0 372.557 3.106 20 0 FGADRP CN(C)C(=O)c1ccccc1C[NH2+]Cc1ccc(C[NH+]2CCCC2)cc1 ZINC000417832409 500180329 /nfs/dbraw/zinc/18/03/29/500180329.db2.gz DVBZVFPQKZYAAV-UHFFFAOYSA-N 2 0 351.494 3.274 20 0 FGADRP C[C@@H]([NH3+])c1ccc(CNC(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)cc1 ZINC000417021720 500185625 /nfs/dbraw/zinc/18/56/25/500185625.db2.gz KBAQFFLBYFZFSC-DYESRHJHSA-N 2 0 366.509 3.343 20 0 FGADRP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)N[C@H](C[NH3+])c2ccc3ccccc3c2)C1 ZINC000417860904 500185689 /nfs/dbraw/zinc/18/56/89/500185689.db2.gz ZJDWYNDAUAVLLO-XUVXKRRUSA-N 2 0 354.498 3.012 20 0 FGADRP C[NH2+][C@@H]1CCCN(C(=O)NC[C@@H](CC(C)C)[NH2+][C@@H](C)c2ccccc2)C1 ZINC000417866136 500187148 /nfs/dbraw/zinc/18/71/48/500187148.db2.gz DCSGAMABXKCUGM-DFQSSKMNSA-N 2 0 360.546 3.145 20 0 FGADRP CC(C)C[C@H](CNC(=O)NC[C@@H]1CCC[NH2+]C1)[NH2+][C@H](C)c1ccccc1 ZINC000417864945 500187316 /nfs/dbraw/zinc/18/73/16/500187316.db2.gz BTMRXAJKWKXSGP-QWFCFKBJSA-N 2 0 360.546 3.051 20 0 FGADRP CC(C)C[C@H](CNC(=O)N1CC[C@H]([C@@H](C)[NH3+])C1)[NH2+][C@H](C)c1ccccc1 ZINC000417869682 500188246 /nfs/dbraw/zinc/18/82/46/500188246.db2.gz HNZAPEDSDJNBJU-IZBJGVDFSA-N 2 0 360.546 3.131 20 0 FGADRP CCCC[N@H+](CC)Cc1cccc(CNC(=O)N[C@H]2CC[NH2+]C[C@@H]2C)c1 ZINC000417874009 500188805 /nfs/dbraw/zinc/18/88/05/500188805.db2.gz JYGCDBDQYTYWTF-PXNSSMCTSA-N 2 0 360.546 3.106 20 0 FGADRP CCCC[N@H+](CC)Cc1cccc(CNC(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)c1 ZINC000417878089 500189819 /nfs/dbraw/zinc/18/98/19/500189819.db2.gz OQJNGSVLMKGIHT-SFTDATJTSA-N 2 0 372.557 3.202 20 0 FGADRP CC(C)C[C@H](CNC(=O)NCCC1=CC[NH2+]CC1)[NH2+][C@@H](C)c1ccccc1 ZINC000417880001 500190344 /nfs/dbraw/zinc/19/03/44/500190344.db2.gz SCRBPMQRDGGGPH-GHTZIAJQSA-N 2 0 372.557 3.361 20 0 FGADRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)NC[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000418046183 500219854 /nfs/dbraw/zinc/21/98/54/500219854.db2.gz PYWGWQBNRDBZIS-FPOVZHCZSA-N 2 0 360.546 3.056 20 0 FGADRP CCCC[C@@H](C[NH3+])NC(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000418044417 500219990 /nfs/dbraw/zinc/21/99/90/500219990.db2.gz ZWWALAYNJBCHQT-HOTGVXAUSA-N 2 0 374.451 3.125 20 0 FGADRP CC[NH+]1CCN(c2ccccc2C[NH2+][C@@H]2COCc3ccccc32)CC1 ZINC000418106771 500230449 /nfs/dbraw/zinc/23/04/49/500230449.db2.gz NUAHBJCDFDXFLM-OAQYLSRUSA-N 2 0 351.494 3.190 20 0 FGADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000418150635 500237625 /nfs/dbraw/zinc/23/76/25/500237625.db2.gz DCCGFGOVKNWBGL-UXHICEINSA-N 2 0 374.573 3.302 20 0 FGADRP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000418151215 500238075 /nfs/dbraw/zinc/23/80/75/500238075.db2.gz FGKWSCOZKGFSFR-PMACEKPBSA-N 2 0 372.557 3.058 20 0 FGADRP C[C@@H]1CCN(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)[C@H](C[NH3+])C1 ZINC000418164490 500240189 /nfs/dbraw/zinc/24/01/89/500240189.db2.gz WYVVDSXGJOPBNS-YZGWKJHDSA-N 2 0 372.557 3.056 20 0 FGADRP Cc1ccccc1[C@H]([C@@H](C)NC(=O)N1CCC([C@H]2CC[NH2+]C2)CC1)[NH+](C)C ZINC000418183993 500244192 /nfs/dbraw/zinc/24/41/92/500244192.db2.gz PFKVPKZJADMWJL-LMNJBCLMSA-N 2 0 372.557 3.017 20 0 FGADRP CCC[N@H+](C)[C@@H](CNC(=O)N1CCC(C[NH3+])CC1)c1ccc(Cl)cc1 ZINC000418183366 500244508 /nfs/dbraw/zinc/24/45/08/500244508.db2.gz OKZYYFDFNOLPIR-SFHVURJKSA-N 2 0 366.937 3.103 20 0 FGADRP CCc1ccc([C@H](CNC(=O)NC2(C)CC[NH2+]CC2)[NH+](CC)CC)cc1 ZINC000418207249 500249176 /nfs/dbraw/zinc/24/91/76/500249176.db2.gz BKQNYDHFBOAMSO-IBGZPJMESA-N 2 0 360.546 3.073 20 0 FGADRP CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)N1CCCC[C@@H]1[C@H]1CCC[NH2+]C1 ZINC000418233570 500253869 /nfs/dbraw/zinc/25/38/69/500253869.db2.gz GUULIVDKKQWAFW-SLFFLAALSA-N 2 0 364.578 3.061 20 0 FGADRP CC(C)[C@H]([NH3+])CC[N@H+](C)CCC(=O)Nc1cccc(Br)c1 ZINC000430587713 500259457 /nfs/dbraw/zinc/25/94/57/500259457.db2.gz ACASZGQXQKHLLI-OAHLLOKOSA-N 2 0 356.308 3.083 20 0 FGADRP CC(C)c1ccc([C@@H]([NH3+])CNC(=O)N(C)[C@H](C)C2CC[NH+](C)CC2)cc1 ZINC000418322790 500262584 /nfs/dbraw/zinc/26/25/84/500262584.db2.gz FAWCVCAWHCRLAE-UZLBHIALSA-N 2 0 360.546 3.182 20 0 FGADRP CC(C)c1ccc([C@H]([NH3+])CNC(=O)N2CCC([NH+]3CCCC3)CC2)cc1 ZINC000418365446 500268587 /nfs/dbraw/zinc/26/85/87/500268587.db2.gz XNUPOAWYKZJRMG-HXUWFJFHSA-N 2 0 358.530 3.080 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)N[C@H](C[NH3+])C2CCCCC2)C1 ZINC000418379466 500270048 /nfs/dbraw/zinc/27/00/48/500270048.db2.gz KNCYDHCBICJOFN-WSTZPKSXSA-N 2 0 364.578 3.190 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)c1ccc2c(ccn2CCC[NH3+])c1 ZINC000430696587 500271402 /nfs/dbraw/zinc/27/14/02/500271402.db2.gz QHGHAKBERZEPDZ-GOSISDBHSA-N 2 0 370.541 3.375 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)N[C@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000418402039 500272700 /nfs/dbraw/zinc/27/27/00/500272700.db2.gz ARDHSHKQEZRIKS-HOJAQTOUSA-N 2 0 364.578 3.190 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)NC[C@H]([NH3+])c2ccccc2)CC1 ZINC000418421749 500274386 /nfs/dbraw/zinc/27/43/86/500274386.db2.gz CUUDNFGYPYFEDH-NQIIRXRSSA-N 2 0 372.557 3.373 20 0 FGADRP CCN(C(=O)NCC([NH3+])(CC)CC)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000418431390 500276113 /nfs/dbraw/zinc/27/61/13/500276113.db2.gz WZGCWQIYWNABDM-IEBWSBKVSA-N 2 0 360.546 3.371 20 0 FGADRP C[NH+](C)[C@@H](CNC(=O)c1ccc2c(ccn2CCC[NH3+])c1)C1CCCCC1 ZINC000430747758 500279189 /nfs/dbraw/zinc/27/91/89/500279189.db2.gz YWOLFIGWCNXGKC-NRFANRHFSA-N 2 0 370.541 3.230 20 0 FGADRP CC[NH+](CC)CCOc1ccc(CN[C@@H]2CCCCC[C@H]2[NH3+])cc1OC ZINC000422697154 500287046 /nfs/dbraw/zinc/28/70/46/500287046.db2.gz UAPVKYWCIKYTQK-RTBURBONSA-N 2 0 363.546 3.165 20 0 FGADRP COc1ccc(CC[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1F ZINC000422701056 500287138 /nfs/dbraw/zinc/28/71/38/500287138.db2.gz BCOBNHHNWRLWAC-RXVVDRJESA-N 2 0 356.441 3.222 20 0 FGADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+][C@@H]1CCN(c2ccccc2Br)C1 ZINC000422703276 500287853 /nfs/dbraw/zinc/28/78/53/500287853.db2.gz HKXCIKFXNUCWAN-FMKPAKJESA-N 2 0 352.320 3.006 20 0 FGADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+][C@H]1CCN(c2ccccc2Br)C1 ZINC000422703279 500287893 /nfs/dbraw/zinc/28/78/93/500287893.db2.gz HKXCIKFXNUCWAN-YCPHGPKFSA-N 2 0 352.320 3.006 20 0 FGADRP C([NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)C1(N2CCSCC2)CCCCC1 ZINC000422711620 500288652 /nfs/dbraw/zinc/28/86/52/500288652.db2.gz MZVJFTQXRBFXDD-GBESFXJTSA-N 2 0 351.604 3.248 20 0 FGADRP COC[C@H](CCC[NH3+])[NH2+][C@H](Cn1cnc2ccccc21)c1ccc(F)cc1 ZINC000422715712 500289323 /nfs/dbraw/zinc/28/93/23/500289323.db2.gz MLPYAEXCMWOQLH-AZUAARDMSA-N 2 0 370.472 3.260 20 0 FGADRP CCOC(=O)C1([C@@H](C)[NH2+][C@@H](c2ccccc2)c2ccccn2)CC[NH2+]CC1 ZINC000422766869 500295376 /nfs/dbraw/zinc/29/53/76/500295376.db2.gz RKUMKLHTMCFLAK-XLIONFOSSA-N 2 0 367.493 3.082 20 0 FGADRP C[C@H]([NH2+]C1(CN[C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)CCCC1)c1ccccc1 ZINC000422771537 500295847 /nfs/dbraw/zinc/29/58/47/500295847.db2.gz VWDBHUIARCOUHG-VXSCBNMQSA-N 2 0 371.569 3.397 20 0 FGADRP Fc1ccc(N2CCOCC2)c(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)c1 ZINC000422789530 500297899 /nfs/dbraw/zinc/29/78/99/500297899.db2.gz UACDBWNQHCMSAR-XUVXKRRUSA-N 2 0 361.505 3.063 20 0 FGADRP CCOC(=O)C1([C@H](C)[NH2+]C[C@H](C)Sc2ccccc2)CC[NH2+]CC1 ZINC000422795693 500299153 /nfs/dbraw/zinc/29/91/53/500299153.db2.gz WEQVFASWRWUNBQ-HOTGVXAUSA-N 2 0 350.528 3.078 20 0 FGADRP Cc1cccc(N2CC[NH+](CCCN[C@@H]3C[C@H]([NH3+])c4ccccc43)CC2)c1 ZINC000422809124 500300531 /nfs/dbraw/zinc/30/05/31/500300531.db2.gz PHMKINDUTJOGKM-XZOQPEGZSA-N 2 0 364.537 3.242 20 0 FGADRP CCOC(=O)C1([C@H](C)[NH2+][C@H](Cc2ccc(F)cc2)C(C)C)CC[NH2+]CC1 ZINC000422805494 500300729 /nfs/dbraw/zinc/30/07/29/500300729.db2.gz JFGLKLHRJJBWDM-QFBILLFUSA-N 2 0 364.505 3.304 20 0 FGADRP c1ccc(N2CCN(CCC[NH2+][C@@H]3CCC[C@H]3[C@H]3CCCC[NH2+]3)CC2)cc1 ZINC000422814794 500301460 /nfs/dbraw/zinc/30/14/60/500301460.db2.gz WDOPUYQWVVHELW-YTFSRNRJSA-N 2 0 370.585 3.099 20 0 FGADRP COc1cc(Cl)c(C)cc1NC(=O)CC[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000422826952 500302919 /nfs/dbraw/zinc/30/29/19/500302919.db2.gz RRBLLRBVHHOEQH-HIFRSBDPSA-N 2 0 353.894 3.093 20 0 FGADRP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@H]2NC1CC[NH+](C2CCCC2)CC1 ZINC000422835850 500304218 /nfs/dbraw/zinc/30/42/18/500304218.db2.gz JGCRGHRNLVAUAC-IFMALSPDSA-N 2 0 355.526 3.239 20 0 FGADRP CC(C)C1CCC([NH+]2CCN(C(=O)N[C@H](C)CCCC[NH3+])CC2)CC1 ZINC000418667972 500304468 /nfs/dbraw/zinc/30/44/68/500304468.db2.gz GBPQUMIKOXPYMZ-LMDPOFIKSA-N 2 0 352.567 3.046 20 0 FGADRP [NH3+]CCC[C@@H](NC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1)c1ccccc1 ZINC000418669731 500305160 /nfs/dbraw/zinc/30/51/60/500305160.db2.gz JTNRBDZLVXBKOO-WOJBJXKFSA-N 2 0 358.530 3.127 20 0 FGADRP C[C@@H]([NH3+])C1CC[NH+](CC(=O)N[C@H](C)c2ccc(Cl)c(Cl)c2)CC1 ZINC000430914770 500306245 /nfs/dbraw/zinc/30/62/45/500306245.db2.gz ABLJYOPTMAFCHG-VXGBXAGGSA-N 2 0 358.313 3.230 20 0 FGADRP C[C@H](C[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)N(C)c1ccccc1 ZINC000422863456 500307090 /nfs/dbraw/zinc/30/70/90/500307090.db2.gz PBLQEVWKMARJDF-PIPMEXSNSA-N 2 0 351.494 3.357 20 0 FGADRP C[NH2+]C[C@@H]1CC[N@H+](CCC(=O)Nc2ccc(Oc3ccccc3)cc2)C1 ZINC000430923305 500307729 /nfs/dbraw/zinc/30/77/29/500307729.db2.gz CSOGQYRJMAAXLS-KRWDZBQOSA-N 2 0 353.466 3.349 20 0 FGADRP C[C@H]([NH3+])C1CC[NH+](CC(=O)N[C@@H](Cc2ccccc2)c2ccccc2)CC1 ZINC000430925480 500307831 /nfs/dbraw/zinc/30/78/31/500307831.db2.gz LWNPVFGREBZCMD-AVRDEDQJSA-N 2 0 365.521 3.146 20 0 FGADRP CCCN(C(=O)N[C@H](C)CCC[NH3+])[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000418694619 500309298 /nfs/dbraw/zinc/30/92/98/500309298.db2.gz WAOLXMUNMKOINO-UYAOXDASSA-N 2 0 360.546 3.200 20 0 FGADRP C[C@H]([NH3+])C1CC[NH+](CC(=O)Nc2ccccc2Cc2ccccc2)CC1 ZINC000430935030 500309638 /nfs/dbraw/zinc/30/96/38/500309638.db2.gz RNWDDMYFODBRFA-KRWDZBQOSA-N 2 0 351.494 3.275 20 0 FGADRP CC[C@H]([NH3+])CNC(=O)N1CC(C)(C)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000418706104 500310062 /nfs/dbraw/zinc/31/00/62/500310062.db2.gz FCKCFTVVBBIQNA-PMACEKPBSA-N 2 0 372.557 3.056 20 0 FGADRP C[C@@H]([NH3+])C1CC[NH+](CC(=O)Nc2ccc(OCc3ccccc3)cc2)CC1 ZINC000430938408 500310436 /nfs/dbraw/zinc/31/04/36/500310436.db2.gz HYJSYKUKBMYAPA-QGZVFWFLSA-N 2 0 367.493 3.263 20 0 FGADRP CCOC(=O)C1([C@@H](C)[NH2+][C@@H](C)c2cccc(OC(C)C)c2)CC[NH2+]CC1 ZINC000422882077 500310429 /nfs/dbraw/zinc/31/04/29/500310429.db2.gz OZIQTTODZVJKAG-DLBZAZTESA-N 2 0 362.514 3.446 20 0 FGADRP CC[C@H](C)[C@@H]([NH2+][C@H](C)C1C[NH2+]C1)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC000422886211 500310832 /nfs/dbraw/zinc/31/08/32/500310832.db2.gz IGRZKQNHAIUUAU-NJNPRVFISA-N 2 0 371.569 3.080 20 0 FGADRP C[C@@H]([NH3+])C1CC[NH+](CC(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)CC1 ZINC000430948053 500311949 /nfs/dbraw/zinc/31/19/49/500311949.db2.gz GYBAZZMPQAUGMI-NEPJUHHUSA-N 2 0 358.313 3.230 20 0 FGADRP C[C@@H]1CN(CC(=O)N2CCC[C@H]2c2ccc(Cl)c(Cl)c2)CC[C@@H]1[NH3+] ZINC000430952260 500312198 /nfs/dbraw/zinc/31/21/98/500312198.db2.gz YJYAUZGKPKMTOV-DQYPLSBCSA-N 2 0 370.324 3.326 20 0 FGADRP COc1ccc(OCCC[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422900647 500313631 /nfs/dbraw/zinc/31/36/31/500313631.db2.gz QVBIXDRGDGLCEH-RBBKRZOGSA-N 2 0 368.477 3.310 20 0 FGADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]C[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000422900428 500313955 /nfs/dbraw/zinc/31/39/55/500313955.db2.gz QKSXYHSJJXQKRT-VKJFTORMSA-N 2 0 366.347 3.253 20 0 FGADRP COc1ccccc1Oc1ccc(C[NH2+][C@@H]2CCOC[C@@H]2[C@@H](C)[NH3+])cc1 ZINC000422905709 500314765 /nfs/dbraw/zinc/31/47/65/500314765.db2.gz IUEUNAGDTDEJRJ-ATZDWAIDSA-N 2 0 356.466 3.329 20 0 FGADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@H]1CCCN(Cc2c(F)cccc2F)C1 ZINC000422906885 500314816 /nfs/dbraw/zinc/31/48/16/500314816.db2.gz KNPXCJQJIDNTNC-RDJZCZTQSA-N 2 0 374.479 3.442 20 0 FGADRP CCOC(=O)C1([C@H](C)[NH2+][C@H]2C[C@@H](OCC)C23CCCCC3)CC[NH2+]CC1 ZINC000422921275 500316862 /nfs/dbraw/zinc/31/68/62/500316862.db2.gz PLGUHILYYLDPPF-OKZBNKHCSA-N 2 0 366.546 3.025 20 0 FGADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]CCOc1ncc(C(F)(F)F)cc1Cl ZINC000422922854 500316993 /nfs/dbraw/zinc/31/69/93/500316993.db2.gz QYJNDMHLJPNNBR-CHWSQXEVSA-N 2 0 351.800 3.382 20 0 FGADRP CCOC(=O)C1([C@H](C)[NH2+][C@@H]2CCc3c2cccc3Cl)CC[NH2+]CC1 ZINC000422930939 500319011 /nfs/dbraw/zinc/31/90/11/500319011.db2.gz AEIZEXLGTZBEMY-SUMWQHHRSA-N 2 0 350.890 3.238 20 0 FGADRP CCOC(=O)C1([C@@H](C)[NH2+][C@H]2CCOc3c(Cl)cccc32)CC[NH2+]CC1 ZINC000422938175 500319603 /nfs/dbraw/zinc/31/96/03/500319603.db2.gz GTHQEOATAJHCBP-CJNGLKHVSA-N 2 0 366.889 3.075 20 0 FGADRP c1ccc(-c2ccccc2OCC[NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000422941867 500321129 /nfs/dbraw/zinc/32/11/29/500321129.db2.gz VTYQIUWLORYNFJ-FDFHNCONSA-N 2 0 366.505 3.479 20 0 FGADRP COc1cc([C@H](C)[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)ccc1OCCO ZINC000422970085 500325644 /nfs/dbraw/zinc/32/56/44/500325644.db2.gz FGORKKBKKZFMDG-WZGPROSRSA-N 2 0 362.514 3.028 20 0 FGADRP O=C(NCc1ccco1)c1cccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000422977479 500326168 /nfs/dbraw/zinc/32/61/68/500326168.db2.gz WUXSIHXEYSXDOI-QHAWAJNXSA-N 2 0 367.493 3.220 20 0 FGADRP Cc1cc(Br)cn2cc(C[NH2+][C@@H]3CCCC[C@H]3C[NH3+])nc12 ZINC000423035172 500333271 /nfs/dbraw/zinc/33/32/71/500333271.db2.gz JDBMLNWRVHJXHT-SWLSCSKDSA-N 2 0 351.292 3.012 20 0 FGADRP Fc1cccc(NCCC[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000423035578 500333613 /nfs/dbraw/zinc/33/36/13/500333613.db2.gz RWSADXRKFVQDJW-CTNGQTDRSA-N 2 0 355.457 3.473 20 0 FGADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]C1CCN(C(=O)c2ccccc2C(F)(F)F)CC1 ZINC000423047832 500335347 /nfs/dbraw/zinc/33/53/47/500335347.db2.gz HGJIWASLAFQPNA-CXAGYDPISA-N 2 0 369.431 3.027 20 0 FGADRP CCOC(=O)C1([C@H](C)[NH2+]Cc2ccccc2N2CCCCC2)CC[NH2+]CC1 ZINC000423051101 500335872 /nfs/dbraw/zinc/33/58/72/500335872.db2.gz ZVVAHHGLTDJEFI-SFHVURJKSA-N 2 0 373.541 3.088 20 0 FGADRP CCOC(=O)C1([C@H](C)[NH2+][C@H]2CC[C@@H](c3cccc(F)c3)C2)CC[NH2+]CC1 ZINC000423093245 500341094 /nfs/dbraw/zinc/34/10/94/500341094.db2.gz GSEIHZDCHOMFSJ-WDYCEAGBSA-N 2 0 362.489 3.373 20 0 FGADRP C[C@H](C[C@H](C)[NH3+])[NH2+][C@@H](CO)c1ccc(Br)cc1C(F)(F)F ZINC000423092525 500341232 /nfs/dbraw/zinc/34/12/32/500341232.db2.gz CENDMFHTZFLVHQ-RWEMILLDSA-N 2 0 369.225 3.217 20 0 FGADRP Cc1ccc(C[C@H](CO)C[NH2+]C2CCC(C[NH3+])CC2)cc1Br ZINC000423150369 500348484 /nfs/dbraw/zinc/34/84/84/500348484.db2.gz BTYBNWZYCMFANA-WIHSUSGWSA-N 2 0 369.347 3.016 20 0 FGADRP CC[C@H](COCC(F)(F)F)[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423148391 500348557 /nfs/dbraw/zinc/34/85/57/500348557.db2.gz VMDKEARMZXASDG-UNEWFSDZSA-N 2 0 358.404 3.189 20 0 FGADRP Cc1ccc(C[C@@H](CO)C[NH2+]C2CCC(C[NH3+])CC2)cc1Br ZINC000423150368 500348752 /nfs/dbraw/zinc/34/87/52/500348752.db2.gz BTYBNWZYCMFANA-ARWYELJZSA-N 2 0 369.347 3.016 20 0 FGADRP Cc1ccc(C[C@H](CO)C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])cc1Br ZINC000423169808 500350776 /nfs/dbraw/zinc/35/07/76/500350776.db2.gz ZZDVSYWVGOEPMZ-XYJFISCASA-N 2 0 369.347 3.016 20 0 FGADRP C[C@H](CCC[NH3+])[NH2+]C1CCN(Cc2cccc(Br)c2)CC1 ZINC000423186342 500352639 /nfs/dbraw/zinc/35/26/39/500352639.db2.gz OJMDKKICCDTERU-CQSZACIVSA-N 2 0 354.336 3.131 20 0 FGADRP C[C@@H]([NH2+]CCCN1CC[NH2+]CC1)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000423185731 500352710 /nfs/dbraw/zinc/35/27/10/500352710.db2.gz WAHUCZNUQOOQCF-GOSISDBHSA-N 2 0 371.500 3.351 20 0 FGADRP C[C@H]([NH2+]CCCN1CC[NH2+]CC1)c1ccc(OCc2ccccc2)cc1 ZINC000423186694 500353532 /nfs/dbraw/zinc/35/35/32/500353532.db2.gz WWZSXSMUFRQNDV-IBGZPJMESA-N 2 0 353.510 3.212 20 0 FGADRP FC(F)(F)c1cccc([C@H]2CCC[C@@H]2[NH2+]CCCN2CC[NH2+]CC2)c1 ZINC000423195569 500354171 /nfs/dbraw/zinc/35/41/71/500354171.db2.gz ZKYCGVKSDJVNCA-MSOLQXFVSA-N 2 0 355.448 3.226 20 0 FGADRP COc1ccc([C@@H](CCn2cncn2)[NH2+]Cc2ccc([C@H](C)[NH3+])cc2)cc1 ZINC000423292438 500361875 /nfs/dbraw/zinc/36/18/75/500361875.db2.gz NAFXVLHYPICYBZ-HRAATJIYSA-N 2 0 365.481 3.228 20 0 FGADRP C[NH+](C)[C@H](CNC(=O)C(C)(C)[C@H]([NH3+])c1ccccc1)c1cccc(F)c1 ZINC000423315280 500363053 /nfs/dbraw/zinc/36/30/53/500363053.db2.gz ZKNKLZUPINRZNP-RTBURBONSA-N 2 0 357.473 3.271 20 0 FGADRP CCc1ccc([C@@H](CNC(=O)c2ccccc2CC[NH2+]C)[NH+](C)C)cc1 ZINC000423316323 500363060 /nfs/dbraw/zinc/36/30/60/500363060.db2.gz ZYCVRHFOWINVJB-OAQYLSRUSA-N 2 0 353.510 3.044 20 0 FGADRP C[NH+](C)[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C1CC1)c1cccc(C(F)(F)F)c1 ZINC000427201802 500366337 /nfs/dbraw/zinc/36/63/37/500366337.db2.gz BZTBYWQSEQLWGL-IAGOWNOFSA-N 2 0 369.431 3.051 20 0 FGADRP C[NH+](C)[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C1CC1)c1cccc(C(F)(F)F)c1 ZINC000427201801 500366422 /nfs/dbraw/zinc/36/64/22/500366422.db2.gz BZTBYWQSEQLWGL-DLBZAZTESA-N 2 0 369.431 3.051 20 0 FGADRP C[C@H]([NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc(C(F)(F)F)cc1 ZINC000423393886 500370085 /nfs/dbraw/zinc/37/00/85/500370085.db2.gz RMZQMHYCMJYGSL-SMDDNHRTSA-N 2 0 369.353 3.192 20 0 FGADRP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH2+][C@@H]4C[C@H]4C4CC[NH2+]CC4)[C@@H]3C2)cc1 ZINC000423421785 500373882 /nfs/dbraw/zinc/37/38/82/500373882.db2.gz BAUAEZGUJKIVAE-LHGONGGSSA-N 3 0 353.554 3.265 20 0 FGADRP Fc1ccc([C@@H]2CC[NH2+]C[C@@H]2C[NH2+][C@H]2[C@H]3CCO[C@H]3C23CCCC3)cc1 ZINC000423479273 500377477 /nfs/dbraw/zinc/37/74/77/500377477.db2.gz UXPPDFBEEGQCHN-KPACCLEDSA-N 2 0 358.501 3.456 20 0 FGADRP C[C@H](N[C@@H]1C[NH2+]C[C@H]1c1ccccc1)c1cccc(OCC[NH+](C)C)c1 ZINC000423500006 500379351 /nfs/dbraw/zinc/37/93/51/500379351.db2.gz CNTLLUGGCOAWEL-BULFRSBZSA-N 2 0 353.510 3.033 20 0 FGADRP O=C(C[C@H]1CCC[NH2+]CC1)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000427316728 500380585 /nfs/dbraw/zinc/38/05/85/500380585.db2.gz SRESXCQOKBLZPT-XSLAUPDRSA-N 2 0 355.526 3.078 20 0 FGADRP C[C@@H]([NH2+][C@@H](CCC[NH3+])c1ccccc1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000423512031 500380686 /nfs/dbraw/zinc/38/06/86/500380686.db2.gz UFVWUWJWCDHHBK-KDOFPFPSSA-N 2 0 364.486 3.360 20 0 FGADRP C[C@@H]([NH2+][C@H](CCC[NH3+])c1ccccc1)c1ccc(NS(C)(=O)=O)cc1 ZINC000423515208 500381048 /nfs/dbraw/zinc/38/10/48/500381048.db2.gz XDKOXUGESOEQRR-DNVCBOLYSA-N 2 0 361.511 3.189 20 0 FGADRP COc1ccccc1NC(=O)C[C@@H](C)[NH2+][C@H](CCC[NH3+])c1ccccc1 ZINC000423515930 500381324 /nfs/dbraw/zinc/38/13/24/500381324.db2.gz XPWRFQLWSWLGQR-SJLPKXTDSA-N 2 0 355.482 3.482 20 0 FGADRP CC(C)CO[C@H]1C[C@@H]([NH2+]CC2(N)CC[NH+](Cc3ccccc3)CC2)C1(C)C ZINC000423561961 500384642 /nfs/dbraw/zinc/38/46/42/500384642.db2.gz KAHIMZZYLLFRGB-RTWAWAEBSA-N 2 0 373.585 3.409 20 0 FGADRP C[NH+](C)[C@H](CNC(=O)C[C@@H](c1ccccc1)[NH+](C)C)c1cccc(F)c1 ZINC000431557919 500391756 /nfs/dbraw/zinc/39/17/56/500391756.db2.gz GFTZDJYECFOAAK-VQTJNVASSA-N 2 0 357.473 3.238 20 0 FGADRP [NH3+]CCCn1ccc2cc(C(=O)N3CCCC[C@@H]3c3ncc[nH]3)ccc21 ZINC000423740124 500398054 /nfs/dbraw/zinc/39/80/54/500398054.db2.gz GPPRMFIKPINHLW-GOSISDBHSA-N 2 0 351.454 3.081 20 0 FGADRP C[C@H](CC(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)cc1)[C@@H]1CCC[NH2+]C1 ZINC000423775035 500400803 /nfs/dbraw/zinc/40/08/03/500400803.db2.gz OKXIRNYWGYKYQR-KYJSFNMBSA-N 2 0 351.922 3.085 20 0 FGADRP C[C@H](NC(=O)[C@@H]1CCCCCC[C@@H]1[NH3+])[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423862235 500413794 /nfs/dbraw/zinc/41/37/94/500413794.db2.gz FUDPBXUTJJCGJZ-KCLUMXDGSA-N 2 0 357.542 3.311 20 0 FGADRP CCC(CC)(C[NH3+])C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000423896097 500416932 /nfs/dbraw/zinc/41/69/32/500416932.db2.gz GHHUUFUGLLYGIC-UXHICEINSA-N 2 0 357.542 3.265 20 0 FGADRP Cn1nc(CCC[N@H+](C)CC[C@@H]2CCC[NH2+]C2)cc1-c1ccc(F)cc1 ZINC000420295366 500435837 /nfs/dbraw/zinc/43/58/37/500435837.db2.gz ADEXPRDZKKOMAG-KRWDZBQOSA-N 2 0 358.505 3.480 20 0 FGADRP CCOC(=O)c1c(C)c2ccccc2nc1C[NH+]1CCC([C@@H](C)[NH3+])CC1 ZINC000420296601 500435970 /nfs/dbraw/zinc/43/59/70/500435970.db2.gz QJPHYAQKKYKIAL-OAHLLOKOSA-N 2 0 355.482 3.279 20 0 FGADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000431870411 500436959 /nfs/dbraw/zinc/43/69/59/500436959.db2.gz MXNASTOWFXSLSD-HKUYNNGSSA-N 2 0 352.567 3.059 20 0 FGADRP C[C@H]1CCC[C@H](CC(=O)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)C1 ZINC000424016998 500437057 /nfs/dbraw/zinc/43/70/57/500437057.db2.gz FEQDTNKVPRPYER-ICSRJNTNSA-N 2 0 357.542 3.313 20 0 FGADRP COc1ccc([C@@H](C[NH3+])C[N@@H+]2CCC[C@@H]2c2ccc3c(c2)OCO3)cc1 ZINC000420302549 500437582 /nfs/dbraw/zinc/43/75/82/500437582.db2.gz MOMSUPLVGUHOHZ-PKOBYXMFSA-N 2 0 354.450 3.303 20 0 FGADRP Ic1ccc([C@H]2CCC[N@@H+]2CC[C@@H]2CC[NH2+]C2)cc1 ZINC000420312409 500438822 /nfs/dbraw/zinc/43/88/22/500438822.db2.gz WXWXNHIHEHGRAH-XJKSGUPXSA-N 2 0 370.278 3.428 20 0 FGADRP O=C(C1CC[NH+](CC[C@@H]2CCC[NH2+]C2)CC1)N(Cc1ccccc1)C1CC1 ZINC000420311970 500439077 /nfs/dbraw/zinc/43/90/77/500439077.db2.gz WOFUXZWOMSZMRP-IBGZPJMESA-N 2 0 369.553 3.279 20 0 FGADRP COc1ccc([C@H](C[NH3+])C[N@@H+]2CC[C@H](COCc3ccccc3)C2)cc1 ZINC000420313167 500440037 /nfs/dbraw/zinc/44/00/37/500440037.db2.gz XPRMJHFRRVGGKQ-PZJWPPBQSA-N 2 0 354.494 3.276 20 0 FGADRP COc1ccc([C@H](C[NH3+])C[N@H+](C)[C@H]2CCCN(c3ccccc3)C2)cc1 ZINC000420317819 500440963 /nfs/dbraw/zinc/44/09/63/500440963.db2.gz NGHGNKGDWREZMC-CTNGQTDRSA-N 2 0 353.510 3.338 20 0 FGADRP Cc1ccc([C@@H](NC(=O)C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)C2CC2)cc1 ZINC000420336507 500444094 /nfs/dbraw/zinc/44/40/94/500444094.db2.gz ISMKWPLRWZLGKS-IFMALSPDSA-N 2 0 355.526 3.026 20 0 FGADRP CC1(C)C[NH2+]CC[C@@H]1[NH2+]CCC(=O)N[C@H](c1cccs1)c1ccccc1 ZINC000420352845 500446413 /nfs/dbraw/zinc/44/64/13/500446413.db2.gz AYEWYYHHGLNLMX-ICSRJNTNSA-N 2 0 371.550 3.322 20 0 FGADRP Clc1ccc(CCN2CC[NH+](CC[C@H]3CC[NH2+]C3)CC2)cc1Cl ZINC000420371568 500449690 /nfs/dbraw/zinc/44/96/90/500449690.db2.gz KMGKZNDTMBNHDJ-MRXNPFEDSA-N 2 0 356.341 3.153 20 0 FGADRP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](CCCOc2cccc(Cl)c2)CC1 ZINC000420375212 500450366 /nfs/dbraw/zinc/45/03/66/500450366.db2.gz INAAKFHIMZZYFC-MOPGFXCFSA-N 2 0 352.906 3.327 20 0 FGADRP [NH3+][C@H]1CCCO[C@H]1C1CC[NH+](CCOc2cccc3ccccc32)CC1 ZINC000420384781 500452699 /nfs/dbraw/zinc/45/26/99/500452699.db2.gz SCUBEINYMCNKSJ-UNMCSNQZSA-N 2 0 354.494 3.437 20 0 FGADRP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](CCOc2ccc(C(F)(F)F)cc2)CC1 ZINC000420389025 500453711 /nfs/dbraw/zinc/45/37/11/500453711.db2.gz XSYVFOZQEDZKKH-QZTJIDSGSA-N 2 0 372.431 3.303 20 0 FGADRP [NH3+][C@H]1CCO[C@H](C2CC[NH+](CCOc3ccc(C(F)(F)F)cc3)CC2)C1 ZINC000420397322 500455281 /nfs/dbraw/zinc/45/52/81/500455281.db2.gz XHMLQEYCLANCJV-WMZOPIPTSA-N 2 0 372.431 3.303 20 0 FGADRP C[C@H]([NH2+]C[C@H](O)[C@@H]([NH3+])Cc1ccccc1)c1ccccc1C(F)(F)F ZINC000420417261 500457538 /nfs/dbraw/zinc/45/75/38/500457538.db2.gz WDXZMUXFFCZPAF-KKXDTOCCSA-N 2 0 352.400 3.287 20 0 FGADRP COc1ccc([C@H](C[NH3+])C[NH2+][C@@H](C[C@H]2CCOC2)c2ccccc2)cc1 ZINC000420421879 500457889 /nfs/dbraw/zinc/45/78/89/500457889.db2.gz YWZPXUZYSFAXHG-ZNLUXHQJSA-N 2 0 354.494 3.495 20 0 FGADRP CC(C)[C@@H](C[NH2+][C@H](Cc1ccncc1)c1cccs1)N1CC[NH+](C)CC1 ZINC000424259528 500476631 /nfs/dbraw/zinc/47/66/31/500476631.db2.gz CSWXFHATOBTUKE-WOJBJXKFSA-N 2 0 372.582 3.289 20 0 FGADRP CC[C@H]1c2ccsc2CCN1C(=O)C[N@@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424297566 500483257 /nfs/dbraw/zinc/48/32/57/500483257.db2.gz SXUMLTSEGJHPIE-WBVHZDCISA-N 2 0 361.555 3.048 20 0 FGADRP CCCNC(=O)CC[NH2+][C@@H]1CCCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000428231480 500484358 /nfs/dbraw/zinc/48/43/58/500484358.db2.gz WFYSKYQVDHSCOI-NJDAHSKKSA-N 2 0 357.542 3.183 20 0 FGADRP CC[C@@H](CNC(=O)Nc1cc(C)cc(C[NH3+])c1)[N@@H+]1CCc2ccccc2C1 ZINC000424434267 500504781 /nfs/dbraw/zinc/50/47/81/500504781.db2.gz GEHORBLLUGJSGR-NRFANRHFSA-N 2 0 366.509 3.412 20 0 FGADRP Cc1cc(C[NH3+])cc(NC(=O)N[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)c1 ZINC000424439138 500505936 /nfs/dbraw/zinc/50/59/36/500505936.db2.gz REWNTOFNAUQFBB-JXFKEZNVSA-N 2 0 352.482 3.238 20 0 FGADRP CCc1ccc([C@@H](CNC(=O)Nc2cc(C)cc(C[NH3+])c2)[NH+](C)C)cc1 ZINC000424443569 500506652 /nfs/dbraw/zinc/50/66/52/500506652.db2.gz KRVOTLLBJRZHMJ-HXUWFJFHSA-N 2 0 354.498 3.441 20 0 FGADRP CC[NH+](CC)CC1CC[NH+](Cc2cccc(CN3CCOCC3)c2)CC1 ZINC000420909876 500528031 /nfs/dbraw/zinc/52/80/31/500528031.db2.gz ZOGXNDJGEOPIEQ-UHFFFAOYSA-N 2 0 359.558 3.073 20 0 FGADRP CC[NH+](CC)[C@H](C(=O)NC[C@@H]1CCC[NH2+]C1)c1cccc(C(F)(F)F)c1 ZINC000428593433 500531152 /nfs/dbraw/zinc/53/11/52/500531152.db2.gz LSAQRSYHQOENTN-PBHICJAKSA-N 2 0 371.447 3.204 20 0 FGADRP CC(C)(CO)[C@@H]([NH2+]Cc1cccc(CN2CCOCC2)c1)c1ccccc1 ZINC000420921920 500531279 /nfs/dbraw/zinc/53/12/79/500531279.db2.gz MXUYVNSGTMRXPA-QFIPXVFZSA-N 2 0 368.521 3.368 20 0 FGADRP CC[NH+]1CCC(N2CCC[N@H+](CC[C@@H](C)OCc3ccccc3)CC2)CC1 ZINC000420975934 500545472 /nfs/dbraw/zinc/54/54/72/500545472.db2.gz GIYMJRGMBOHZJA-OAQYLSRUSA-N 2 0 373.585 3.474 20 0 FGADRP C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)N2CCC(C[NH3+])CC2)c1 ZINC000428802385 500559533 /nfs/dbraw/zinc/55/95/33/500559533.db2.gz JCOFYCWKMZZKNZ-UHFFFAOYSA-N 2 0 351.494 3.130 20 0 FGADRP CC[C@H]1CN(C(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000573486025 506203073 /nfs/dbraw/zinc/20/30/73/506203073.db2.gz VRLNPLAEFDNKGR-HKHIRDCPSA-N 2 0 369.553 3.263 20 0 FGADRP CC(C)[C@H](C(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCCCC1 ZINC000437043673 500595606 /nfs/dbraw/zinc/59/56/06/500595606.db2.gz VNCCNOQAKMGTMC-FGZHOGPDSA-N 2 0 371.569 3.477 20 0 FGADRP OC[C@H](Cc1ccccc1)[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000437076619 500599278 /nfs/dbraw/zinc/59/92/78/500599278.db2.gz VPYIKTINHZBOTH-CJRSTVEYSA-N 2 0 364.533 3.480 20 0 FGADRP C[NH+](C)[C@H](CNC(=O)C[N@@H+]1CCC[C@@H](c2ccccc2)C1)c1ccccc1 ZINC000433046354 500612584 /nfs/dbraw/zinc/61/25/84/500612584.db2.gz PCAVMLFTONBNTO-FGZHOGPDSA-N 2 0 365.521 3.285 20 0 FGADRP O[C@H](C[NH2+][C@H]1CC[C@H](c2ccc(C(F)(F)F)cc2)C1)C[NH+]1CCCC1 ZINC000442776164 500624247 /nfs/dbraw/zinc/62/42/47/500624247.db2.gz GVIZCRQIBXVYEU-RYQLBKOJSA-N 2 0 356.432 3.388 20 0 FGADRP Cc1ccc([C@H](CCn2cncn2)[NH2+]CC2CC[NH+](C3CC3)CC2)cc1 ZINC000447568847 500626486 /nfs/dbraw/zinc/62/64/86/500626486.db2.gz MWRRRZOMSFIYIC-NRFANRHFSA-N 2 0 353.514 3.182 20 0 FGADRP [NH3+]C1CC[NH+](CCCC(=O)N2CCc3c(ccc(Cl)c3Cl)C2)CC1 ZINC000433117100 500629825 /nfs/dbraw/zinc/62/98/25/500629825.db2.gz MODSLNJJETWMDB-UHFFFAOYSA-N 2 0 370.324 3.081 20 0 FGADRP C[NH+](C)CCOCC[NH2+][C@@H]1CCc2c1cc(Cl)cc2Br ZINC000447592099 500630486 /nfs/dbraw/zinc/63/04/86/500630486.db2.gz GTDVXHMYHXWGIF-OAHLLOKOSA-N 2 0 361.711 3.258 20 0 FGADRP [NH3+]C1CC[NH+](CCCC(=O)N(CCc2ccccc2)C2CCCC2)CC1 ZINC000433150009 500635338 /nfs/dbraw/zinc/63/53/38/500635338.db2.gz FNZHRTDGUMBVCK-UHFFFAOYSA-N 2 0 357.542 3.204 20 0 FGADRP Cc1cc(NC(=O)CCC[NH+]2CCC([NH3+])CC2)ccc1OCC(F)(F)F ZINC000433166636 500638338 /nfs/dbraw/zinc/63/83/38/500638338.db2.gz YEDVBOHLZPMHFG-UHFFFAOYSA-N 2 0 373.419 3.078 20 0 FGADRP C[N@@H+]1CCN(CC[NH2+][C@@H]2CCCOc3c(Cl)cccc32)CC1(C)C ZINC000442890596 500642112 /nfs/dbraw/zinc/64/21/12/500642112.db2.gz PDMZESIJNNVQAO-QGZVFWFLSA-N 2 0 351.922 3.169 20 0 FGADRP CC[NH+](CC)CCSCC(=O)Nc1cccc2c1OCC[C@H]2[NH+](C)C ZINC000447720092 500652276 /nfs/dbraw/zinc/65/22/76/500652276.db2.gz AQNFLHPBXFGIQI-QGZVFWFLSA-N 2 0 365.543 3.085 20 0 FGADRP C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)C[C@@H](c1ccccc1)[NH+](C)C ZINC000433316562 500670522 /nfs/dbraw/zinc/67/05/22/500670522.db2.gz ITNJREITTVNFLL-NRFANRHFSA-N 2 0 371.500 3.409 20 0 FGADRP C[C@H](NC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1)C(C)(C)C[NH+](C)C ZINC000443236883 500699999 /nfs/dbraw/zinc/69/99/99/500699999.db2.gz HCMYJMUKTANGHU-SFHVURJKSA-N 2 0 374.573 3.448 20 0 FGADRP CC[NH+](CC)Cc1ccc(CNC(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)cc1 ZINC000433575473 500715513 /nfs/dbraw/zinc/71/55/13/500715513.db2.gz NFRXCZCPZQUALR-NRFANRHFSA-N 2 0 372.557 3.345 20 0 FGADRP Cc1cccc(OC[C@H](O)C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)c1 ZINC000443599573 500744068 /nfs/dbraw/zinc/74/40/68/500744068.db2.gz HAVRBLOHEFQFLI-OAQYLSRUSA-N 2 0 360.542 3.323 20 0 FGADRP CC[NH+]1CCN(c2ccc(C[NH2+]Cc3ccc(C)c(Cl)c3)cn2)CC1 ZINC000443970790 500785478 /nfs/dbraw/zinc/78/54/78/500785478.db2.gz UNMSYSRVKAPILF-UHFFFAOYSA-N 2 0 358.917 3.475 20 0 FGADRP C[C@@H](C(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000444024665 500793897 /nfs/dbraw/zinc/79/38/97/500793897.db2.gz XQWVJJKKSHFBEO-QRVBRYPASA-N 2 0 357.542 3.371 20 0 FGADRP CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000438970639 500842460 /nfs/dbraw/zinc/84/24/60/500842460.db2.gz FLLXLHGYRONVLF-ZWKOTPCHSA-N 2 0 366.575 3.161 20 0 FGADRP CC1(C(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)CC[NH+](Cc2ccccc2)CC1 ZINC000434440948 500843128 /nfs/dbraw/zinc/84/31/28/500843128.db2.gz FAGZYMMFHACGHX-OAQYLSRUSA-N 2 0 369.553 3.422 20 0 FGADRP CN(CC[N@H+](C)CCc1cccc(Cl)c1Cl)C1CC[NH+](C)CC1 ZINC000434469684 500848003 /nfs/dbraw/zinc/84/80/03/500848003.db2.gz KFGGPONDNSIEFH-UHFFFAOYSA-N 2 0 358.357 3.494 20 0 FGADRP C[C@@H]1CN(CCC[NH+]2CCCCC2)[C@@H](C)CN1CCC[NH+]1CCCCC1 ZINC000444605033 500864847 /nfs/dbraw/zinc/86/48/47/500864847.db2.gz CUKIRSWJBZOQLB-SZPZYZBQSA-N 3 0 364.622 3.133 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N1[C@@H]2CC[C@H]1C[N@H+](CC)CC2)CC(C)C ZINC000439200281 500869212 /nfs/dbraw/zinc/86/92/12/500869212.db2.gz PWIOQEPTHRFWCR-QYZOEREBSA-N 2 0 352.567 3.011 20 0 FGADRP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@H](c3ccccc3)C[C@H]2C)CC1 ZINC000439327894 500885523 /nfs/dbraw/zinc/88/55/23/500885523.db2.gz LFHNWYOIRAPONQ-QUCCMNQESA-N 2 0 357.542 3.244 20 0 FGADRP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3cccc4c(OC)cccc34)C2)CC1 ZINC000449022238 500899687 /nfs/dbraw/zinc/89/96/87/500899687.db2.gz HNJUAKAVKSUUTR-IBGZPJMESA-N 2 0 353.510 3.060 20 0 FGADRP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]CCCOC[C@H]2CCCO2)CC1 ZINC000449066528 500915603 /nfs/dbraw/zinc/91/56/03/500915603.db2.gz CNXDHEXCJGHCPP-DENIHFKCSA-N 2 0 360.542 3.257 20 0 FGADRP C[C@@H]1C[N@@H+](CCCC[NH2+]Cc2ccc3c(c2)OCCCCO3)C[C@H](C)O1 ZINC000449100152 500924830 /nfs/dbraw/zinc/92/48/30/500924830.db2.gz AWEZGGHHQXGYQZ-HDICACEKSA-N 2 0 362.514 3.217 20 0 FGADRP C[C@H](C[NH2+]Cc1cccnc1N1CC[NH+](C)CC1)c1cc(F)cc(F)c1 ZINC000449103685 500925373 /nfs/dbraw/zinc/92/53/73/500925373.db2.gz BUOGUBJLGZFBKQ-OAHLLOKOSA-N 2 0 360.452 3.005 20 0 FGADRP CCC[C@H]([NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1)C1CCCC1 ZINC000449128151 500931267 /nfs/dbraw/zinc/93/12/67/500931267.db2.gz YINOHCBNSNNZIF-FQEVSTJZSA-N 2 0 359.562 3.327 20 0 FGADRP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@H]2CCC[C@@H](C(=O)N(C)C)C2)CC1 ZINC000449156353 500936862 /nfs/dbraw/zinc/93/68/62/500936862.db2.gz SGOHEPWGAJAWMY-UZKOGDIHSA-N 2 0 371.569 3.319 20 0 FGADRP C[NH+](C)C1CCN(CC[NH2+]Cc2cnc(-c3ccccc3F)s2)CC1 ZINC000449222644 500951886 /nfs/dbraw/zinc/95/18/86/500951886.db2.gz MZTORSWKMGDZPJ-UHFFFAOYSA-N 2 0 362.518 3.065 20 0 FGADRP O=C(NCc1cccc(C[NH+]2CCCC2)c1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000439905072 500953472 /nfs/dbraw/zinc/95/34/72/500953472.db2.gz SLVXOIAWIYZJFC-OAQYLSRUSA-N 2 0 355.526 3.306 20 0 FGADRP COc1ccc(OCc2ccccn2)c(C[NH+]2CCC([C@H](C)[NH3+])CC2)c1 ZINC000435375665 500962944 /nfs/dbraw/zinc/96/29/44/500962944.db2.gz NGJNXTDOFDILOL-INIZCTEOSA-N 2 0 355.482 3.228 20 0 FGADRP COc1cc(C[N@@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)ccc1OCc1ccncc1 ZINC000435378956 500963890 /nfs/dbraw/zinc/96/38/90/500963890.db2.gz KTGBLEXNEQOJGO-QFBILLFUSA-N 2 0 355.482 3.228 20 0 FGADRP COc1ccc(OCc2ccccn2)c(CN(C)CC[C@H]([NH3+])C(C)C)c1 ZINC000435386540 500965397 /nfs/dbraw/zinc/96/53/97/500965397.db2.gz XFRQSKBUFSGGHQ-FQEVSTJZSA-N 2 0 357.498 3.474 20 0 FGADRP CCS(=O)(=O)c1c(Cl)cccc1CN1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000435386257 500965413 /nfs/dbraw/zinc/96/54/13/500965413.db2.gz TVULKZHVSHHOOX-KRWDZBQOSA-N 2 0 370.946 3.098 20 0 FGADRP Cc1nn(Cc2ccccc2Cl)c(C)c1C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000435387028 500965988 /nfs/dbraw/zinc/96/59/88/500965988.db2.gz WKCDPZPPVMIYGQ-CVAIRZPRSA-N 2 0 358.917 3.371 20 0 FGADRP COc1cccc(CN(Cc2scnc2C)C[C@@H]2CC[NH2+]C2)c1OC ZINC000435426831 500972429 /nfs/dbraw/zinc/97/24/29/500972429.db2.gz KBYGAYMCMRMDMS-OAHLLOKOSA-N 2 0 361.511 3.080 20 0 FGADRP COc1ccc(-n2cc(C[N@@H+]3CC[C@H](C4CC[NH+](C)CC4)C3)cn2)cc1 ZINC000449325039 500977300 /nfs/dbraw/zinc/97/73/00/500977300.db2.gz JGZLCVLPVVCZIP-IBGZPJMESA-N 2 0 354.498 3.045 20 0 FGADRP Cc1cccc(CC[NH+]2CCN([C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)c1 ZINC000449323756 500977658 /nfs/dbraw/zinc/97/76/58/500977658.db2.gz WTVUATGYKLGJNH-XMMPIXPASA-N 2 0 363.549 3.430 20 0 FGADRP CCn1nnc(C)c1C[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000449340165 500981900 /nfs/dbraw/zinc/98/19/00/500981900.db2.gz NAWRYPRARZVSDD-UHFFFAOYSA-N 2 0 353.514 3.095 20 0 FGADRP CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000440191702 500985995 /nfs/dbraw/zinc/98/59/95/500985995.db2.gz VFTILHDMDNJIBX-HXUWFJFHSA-N 2 0 364.578 3.157 20 0 FGADRP CCC[NH+]1CCC([NH2+][C@H](C)Cc2c(OC)cc(OC)cc2OC)CC1 ZINC000449467017 501009123 /nfs/dbraw/zinc/00/91/23/501009123.db2.gz JZUJXSLTQUPZAC-OAHLLOKOSA-N 2 0 350.503 3.107 20 0 FGADRP Cc1nn(-c2cc[nH+]cc2)cc1CNC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000435726875 501019134 /nfs/dbraw/zinc/01/91/34/501019134.db2.gz BVBYGBYYXKPSED-OAQYLSRUSA-N 2 0 353.514 3.462 20 0 FGADRP c1ncn(Cc2ccccc2)c1C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000445816281 501036443 /nfs/dbraw/zinc/03/64/43/501036443.db2.gz VAJQUUOGLQUPCT-UHFFFAOYSA-N 2 0 368.525 3.008 20 0 FGADRP Cn1nccc1[C@H]1C[C@H]([NH2+]CC(C)(C)C[N@H+](C)Cc2ccccc2)CCO1 ZINC000449582002 501037640 /nfs/dbraw/zinc/03/76/40/501037640.db2.gz DAYPHODWHFEADI-TZIWHRDSSA-N 2 0 370.541 3.388 20 0 FGADRP C[C@H]([NH2+][C@@H]1CCO[C@H](c2ccnn2C)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000449586666 501038985 /nfs/dbraw/zinc/03/89/85/501038985.db2.gz GMCKTACZPSGGKE-KMQSCTNJSA-N 2 0 368.525 3.140 20 0 FGADRP COc1cc(C[NH2+]CC2(SC)CC[NH+](C)CC2)cc(Cl)c1OC ZINC000582455723 506231859 /nfs/dbraw/zinc/23/18/59/506231859.db2.gz IUUAJLNQVTUTSM-UHFFFAOYSA-N 2 0 358.935 3.274 20 0 FGADRP CN(c1ccccc1CNc1ccc2c([nH+]1)CCC2)C1CC[NH+](C)CC1 ZINC000449669256 501056500 /nfs/dbraw/zinc/05/65/00/501056500.db2.gz VGHHTKUPPCGMGN-UHFFFAOYSA-N 2 0 350.510 3.135 20 0 FGADRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2ccc(F)c(C(F)(F)F)c2)CC1 ZINC000449744424 501072614 /nfs/dbraw/zinc/07/26/14/501072614.db2.gz HCOWLSXYPUZPAT-UHFFFAOYSA-N 2 0 361.427 3.350 20 0 FGADRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2cc(F)ccc2Br)CC1 ZINC000449744437 501072731 /nfs/dbraw/zinc/07/27/31/501072731.db2.gz HEFWDJRAJUJXRA-UHFFFAOYSA-N 2 0 372.326 3.094 20 0 FGADRP C[C@H](CNC(=O)Nc1ccccc1CC[NH+](C)C)[N@H+](C)Cc1ccccc1 ZINC000446596396 501139757 /nfs/dbraw/zinc/13/97/57/501139757.db2.gz ZIOGPTLVWCLPAJ-GOSISDBHSA-N 2 0 368.525 3.433 20 0 FGADRP CC[NH+]1CCC(CC[NH2+][C@H](CCn2cncn2)c2ccc(OC)cc2)CC1 ZINC000446825868 501169271 /nfs/dbraw/zinc/16/92/71/501169271.db2.gz FGAGHBJVQBYJPG-OAQYLSRUSA-N 2 0 371.529 3.130 20 0 FGADRP COc1ccc([C@H](CCn2cncn2)[NH2+]CC[C@@H](C)[NH+]2CCCCC2)cc1 ZINC000446880830 501176780 /nfs/dbraw/zinc/17/67/80/501176780.db2.gz JCIUKOKANPLSJT-NQIIRXRSSA-N 2 0 371.529 3.272 20 0 FGADRP COc1ccc([C@H](CCn2cncn2)[NH2+]CC[C@H](C)[NH+]2CCCCC2)cc1 ZINC000446880831 501176924 /nfs/dbraw/zinc/17/69/24/501176924.db2.gz JCIUKOKANPLSJT-RXVVDRJESA-N 2 0 371.529 3.272 20 0 FGADRP O=C(N[C@H]1CC[N@@H+](C2CCCC2)C1)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000592774506 506239198 /nfs/dbraw/zinc/23/91/98/506239198.db2.gz UYPMPVDUALIRMI-PMACEKPBSA-N 2 0 355.526 3.032 20 0 FGADRP C[NH+](C)CC1CCN(C(=O)NCC2([NH+]3CCCCC3)CCCCC2)CC1 ZINC000611638205 506239590 /nfs/dbraw/zinc/23/95/90/506239590.db2.gz GCMWJAHRKVMJGI-UHFFFAOYSA-N 2 0 364.578 3.158 20 0 FGADRP CCc1cc(NCc2cccc(OCC[N@H+](C)C3CCOCC3)c2)cc[nH+]1 ZINC000450307766 501230614 /nfs/dbraw/zinc/23/06/14/501230614.db2.gz HWFVXZPSLGRHDX-UHFFFAOYSA-N 2 0 369.509 3.168 20 0 FGADRP C(C[NH+]1CCCC2(CCC[N@@H+](CC[C@H]3CCOC3)C2)C1)[C@H]1CCOC1 ZINC000451045985 501241549 /nfs/dbraw/zinc/24/15/49/501241549.db2.gz NKENWYLTOSNAOH-AHTKWCMKSA-N 2 0 350.547 3.018 20 0 FGADRP C[C@H]1C[C@@H](NCc2ccccc2C[NH+]2C[C@@H](C)O[C@H](C)C2)c2nccn21 ZINC000453078444 501264147 /nfs/dbraw/zinc/26/41/47/501264147.db2.gz GDXNOXGVRNQLOT-TVKQPGBESA-N 2 0 354.498 3.288 20 0 FGADRP CCC(CC)[C@@H](CNC(=O)NC1CC[NH+](C2CCC2)CC1)[NH+]1CCCC1 ZINC000457621663 501270250 /nfs/dbraw/zinc/27/02/50/501270250.db2.gz QNUFAUJUVUCQIO-HXUWFJFHSA-N 2 0 364.578 3.203 20 0 FGADRP CC(C)[C@H](CNC(=O)NCCCC[N@H+](C)C1CC1)[NH+]1CCCCCC1 ZINC000457629416 501271905 /nfs/dbraw/zinc/27/19/05/501271905.db2.gz UZHRWJNRXPNQRV-IBGZPJMESA-N 2 0 352.567 3.061 20 0 FGADRP CC(C)(C)NC(=O)CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000453169621 501284085 /nfs/dbraw/zinc/28/40/85/501284085.db2.gz XVWHRGRLMSFKCC-ZCNNSNEGSA-N 2 0 357.542 3.324 20 0 FGADRP C[C@H]([NH2+]C[C@H](O)Cc1cccc(F)c1)c1cccc(OCC[NH+](C)C)c1 ZINC000453254946 501300569 /nfs/dbraw/zinc/30/05/69/501300569.db2.gz YZEJRJKFVDTIIH-OXJNMPFZSA-N 2 0 360.473 3.020 20 0 FGADRP CCCOc1c(OC)cc(CC[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)cc1OC ZINC000453312570 501312659 /nfs/dbraw/zinc/31/26/59/501312659.db2.gz VGVFAIVQUQNVTP-RDJZCZTQSA-N 2 0 350.503 3.107 20 0 FGADRP C[N@H+](CCCC[NH2+]C1CCC(N2C(=O)c3ccccc3C2=O)CC1)C1CC1 ZINC000453392384 501324395 /nfs/dbraw/zinc/32/43/95/501324395.db2.gz FCUBBKFJCQYXTA-UHFFFAOYSA-N 2 0 369.509 3.058 20 0 FGADRP Cc1cnc(CC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)cn1 ZINC000453399819 501324698 /nfs/dbraw/zinc/32/46/98/501324698.db2.gz LQHFVRXPOBXJMW-VSKRKVRLSA-N 2 0 350.510 3.360 20 0 FGADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+][C@@H]2C[C@@H]3CCCCN3C2=O)CC1 ZINC000453428930 501330273 /nfs/dbraw/zinc/33/02/73/501330273.db2.gz IAOSQTJILXFPPW-NSKBAKJYSA-N 2 0 355.526 3.173 20 0 FGADRP C[NH+](C)[C@H]1CCc2cc(NC(=O)N3CCC[C@@H]([NH+]4CCCC4)C3)ccc21 ZINC000455904289 501411343 /nfs/dbraw/zinc/41/13/43/501411343.db2.gz HDTSFANWSBPWAN-QUCCMNQESA-N 2 0 356.514 3.328 20 0 FGADRP C[NH+](C)[C@@H]1CCc2cc(NC(=O)N3CCC[C@@H]([NH+]4CCCC4)C3)ccc21 ZINC000455904290 501411611 /nfs/dbraw/zinc/41/16/11/501411611.db2.gz HDTSFANWSBPWAN-UYAOXDASSA-N 2 0 356.514 3.328 20 0 FGADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000455910854 501413263 /nfs/dbraw/zinc/41/32/63/501413263.db2.gz IXXVMUWUFCXLSQ-WSTZPKSXSA-N 2 0 356.514 3.326 20 0 FGADRP CSc1ccc([C@H](CNC(=O)CC[C@H]2CCCC[N@@H+]2C)[NH+](C)C)cc1 ZINC000452160165 501448354 /nfs/dbraw/zinc/44/83/54/501448354.db2.gz BWYPDTBKHUIVTR-MJGOQNOKSA-N 2 0 363.571 3.392 20 0 FGADRP CC[N@H+](Cc1ccc(C(=O)N2CC[NH+](C3CC3)C[C@@H](C)C2)cc1)C(C)C ZINC000452174548 501453050 /nfs/dbraw/zinc/45/30/50/501453050.db2.gz QIHWYEGNKURYKD-GOSISDBHSA-N 2 0 357.542 3.473 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)NC(C)(C)CCC[NH+](C)C ZINC000458519911 501464935 /nfs/dbraw/zinc/46/49/35/501464935.db2.gz WLBGTSFPDZBWPX-UYAOXDASSA-N 2 0 374.573 3.317 20 0 FGADRP CC(C)C[C@@H](CNC(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1)[NH2+][C@H](C)c1ccccc1 ZINC000458555120 501473261 /nfs/dbraw/zinc/47/32/61/501473261.db2.gz LZPFAAHULZYSNT-BVOGOJNSSA-N 2 0 372.557 3.097 20 0 FGADRP Cn1cncc1CCC[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000582495039 506255355 /nfs/dbraw/zinc/25/53/55/506255355.db2.gz UMYMYUDRIYGHMO-IFMALSPDSA-N 2 0 352.526 3.339 20 0 FGADRP CC1CC[NH+](C2CCC(NC(=O)NCC[C@@H]3CCC[N@H+](C)C3)CC2)CC1 ZINC000458568631 501476199 /nfs/dbraw/zinc/47/61/99/501476199.db2.gz KXQNUNYGWPWAMQ-HDYDNRTBSA-N 2 0 364.578 3.061 20 0 FGADRP Cn1ccnc1[C@@H]1N(C(=O)NCCC[N@H+](C)C2CCCCC2)CC1(C)C ZINC000454204766 501481655 /nfs/dbraw/zinc/48/16/55/501481655.db2.gz FBQRZWORPPICHO-KRWDZBQOSA-N 2 0 361.534 3.167 20 0 FGADRP CCc1ccc([C@@H](CNC(=O)NCC2=CC[N@H+](C)CC2)[NH+](CC)CC)cc1 ZINC000458793100 501532979 /nfs/dbraw/zinc/53/29/79/501532979.db2.gz MCMGOMMOSPSQLA-OAQYLSRUSA-N 2 0 372.557 3.193 20 0 FGADRP CC[NH+](CC)CCOc1ccc(C(=O)NC2CC[NH+](C3CCC3)CC2)cc1 ZINC000456686318 501576820 /nfs/dbraw/zinc/57/68/20/501576820.db2.gz SZOUYBSAFHKKML-UHFFFAOYSA-N 2 0 373.541 3.154 20 0 FGADRP CN(C(=O)NCC[C@H]1CCC[NH+](C)C1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000459270010 501622882 /nfs/dbraw/zinc/62/28/82/501622882.db2.gz UTXQDXUGSVECNF-RTWAWAEBSA-N 2 0 372.557 3.024 20 0 FGADRP C[C@H](NC(=O)NCCCC[N@H+](C)C1CC1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000454760922 501623830 /nfs/dbraw/zinc/62/38/30/501623830.db2.gz DOTQLIZFEWZWHT-AZUAARDMSA-N 2 0 372.557 3.071 20 0 FGADRP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2cn(C3CCCC3)nc2-c2ccccn2)C1 ZINC000459387808 501644342 /nfs/dbraw/zinc/64/43/42/501644342.db2.gz KFJDZTPVHBICEE-KRWDZBQOSA-N 2 0 353.514 3.492 20 0 FGADRP CN(C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000459416129 501649835 /nfs/dbraw/zinc/64/98/35/501649835.db2.gz QBHXTWLCSKUWMW-VABKMULXSA-N 2 0 364.537 3.281 20 0 FGADRP C[C@@H](C(=O)NCCCC[N@H+](C)C1CC1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000457200756 501664292 /nfs/dbraw/zinc/66/42/92/501664292.db2.gz LZBPBPDFKBXPTA-IBGZPJMESA-N 2 0 371.569 3.320 20 0 FGADRP C[C@@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)C(=O)N1c2ccccc2C[C@@H]1C ZINC000459566609 501678033 /nfs/dbraw/zinc/67/80/33/501678033.db2.gz HOLRQDHNZHRLRA-DLBZAZTESA-N 2 0 364.493 3.006 20 0 FGADRP O=C(NC1CC[NH+](Cc2ccccc2)CC1)C1C[NH+](C2CCCCC2)C1 ZINC000457364156 501687781 /nfs/dbraw/zinc/68/77/81/501687781.db2.gz BQDHHKIZIWZADF-UHFFFAOYSA-N 2 0 355.526 3.032 20 0 FGADRP O=C(NCCCCC[NH+]1CCCC1)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000455121828 501691974 /nfs/dbraw/zinc/69/19/74/501691974.db2.gz VJIVXXWFWIAARN-UHFFFAOYSA-N 2 0 372.557 3.170 20 0 FGADRP C[NH+](C)CCN(Cc1ccsc1)C(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000457413410 501694976 /nfs/dbraw/zinc/69/49/76/501694976.db2.gz CJVFVVQLAGBHRU-LJQANCHMSA-N 2 0 374.554 3.124 20 0 FGADRP CC[C@@H]1C[N@H+](CC)CCN1C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000457495789 501710510 /nfs/dbraw/zinc/71/05/10/501710510.db2.gz ROQZZRUHQMFRHF-IAGOWNOFSA-N 2 0 364.559 3.011 20 0 FGADRP CCCN(CC[NH+]1CCCCCC1)C(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000460107791 501727394 /nfs/dbraw/zinc/72/73/94/501727394.db2.gz LPJHHEHTAIMCPF-LJQANCHMSA-N 2 0 352.567 3.016 20 0 FGADRP C[NH+](C)C1(CNC(=O)N2CCC(C[NH+]3CCCC3)CC2)CCCCCC1 ZINC000611718170 506271516 /nfs/dbraw/zinc/27/15/16/506271516.db2.gz YGTXAPJKNPSNHL-UHFFFAOYSA-N 2 0 364.578 3.158 20 0 FGADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000467342071 501774067 /nfs/dbraw/zinc/77/40/67/501774067.db2.gz HZBSEXUNVATHBP-JKSUJKDBSA-N 2 0 357.464 3.252 20 0 FGADRP C[C@@H](Cc1cccc(C(F)(F)F)c1)[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000467359664 501777248 /nfs/dbraw/zinc/77/72/48/501777248.db2.gz TUBNMQNXVRLVHD-HNNXBMFYSA-N 2 0 357.464 3.252 20 0 FGADRP C[NH+](C)CC1(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CCCCC1 ZINC000460284867 501780498 /nfs/dbraw/zinc/78/04/98/501780498.db2.gz ROKQICJFFWQZPU-UHFFFAOYSA-N 2 0 357.542 3.411 20 0 FGADRP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N[C@H]1[C@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000460359440 501803599 /nfs/dbraw/zinc/80/35/99/501803599.db2.gz FNSWPKPBHNMKJP-HDAAZOAOSA-N 2 0 374.573 3.171 20 0 FGADRP C[C@@H]1C[N@@H+](CCC2CC[NH+](CCCO[C@H]3CCCCO3)CC2)C[C@H](C)O1 ZINC000460383400 501810131 /nfs/dbraw/zinc/81/01/31/501810131.db2.gz IAKYWFNHLFLCCQ-ZVDOUQERSA-N 2 0 368.562 3.131 20 0 FGADRP C[C@H](C(=O)NCC1([NH+]2CCSCC2)CCCCC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000485427342 501818542 /nfs/dbraw/zinc/81/85/42/501818542.db2.gz CFYMVQLLNPXIRP-FGTMMUONSA-N 2 0 367.603 3.116 20 0 FGADRP CC(C)(C)OC[C@H](O)C[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000485472903 501830590 /nfs/dbraw/zinc/83/05/90/501830590.db2.gz DELBMRWAMHTONR-HXUWFJFHSA-N 2 0 360.542 3.151 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@H]2CCO[C@@H]2c2ccccc2)[C@H](C)C1 ZINC000477926191 501830693 /nfs/dbraw/zinc/83/06/93/501830693.db2.gz KNSFOGLUZZYYDY-PSWRPDDJSA-N 2 0 360.542 3.491 20 0 FGADRP C[C@@H](C(=O)NC(C)(C)C)[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000485476919 501831822 /nfs/dbraw/zinc/83/18/22/501831822.db2.gz QNUUDGKHGLBUGT-SFHVURJKSA-N 2 0 357.542 3.278 20 0 FGADRP O=C(C[N@@H+]1CCCC2(CCC2)C1)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000470866819 501834677 /nfs/dbraw/zinc/83/46/77/501834677.db2.gz OWCPYYHPAPSIHA-UHFFFAOYSA-N 2 0 373.566 3.440 20 0 FGADRP Cc1ccc(CN(CC[NH+](C)C)C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)o1 ZINC000470876310 501839680 /nfs/dbraw/zinc/83/96/80/501839680.db2.gz RSANQNCYAPAFRU-SFHVURJKSA-N 2 0 361.530 3.133 20 0 FGADRP CN(CCC[NH+]1CCCC1)C(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000467664572 501840982 /nfs/dbraw/zinc/84/09/82/501840982.db2.gz WCOPPSSKGBWFMP-UHFFFAOYSA-N 2 0 357.542 3.233 20 0 FGADRP CCCC[N@H+](C)CCNC(=O)N(C)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000470899346 501846503 /nfs/dbraw/zinc/84/65/03/501846503.db2.gz WZRBCCVHVGKGOG-FQEVSTJZSA-N 2 0 360.546 3.024 20 0 FGADRP C[NH+](C)CCOc1ccc(CC[NH2+][C@@H]2CCC[C@H]([C@H]3CCOC3)C2)cc1 ZINC000464061236 501887134 /nfs/dbraw/zinc/88/71/34/501887134.db2.gz AUDMMRLXMQLYMO-PCCBWWKXSA-N 2 0 360.542 3.354 20 0 FGADRP Cc1ccccc1-n1nccc1C[NH2+]CCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000474598972 501887696 /nfs/dbraw/zinc/88/76/96/501887696.db2.gz LXJLSOQDSYLRJH-OALUTQOASA-N 2 0 356.514 3.160 20 0 FGADRP C[N@H+](CCC(=O)Nc1cccc(C(F)(F)F)c1)C[C@H]1CCC[NH+](C)C1 ZINC000485669293 501895100 /nfs/dbraw/zinc/89/51/00/501895100.db2.gz DYWSYDHJDJJGSR-AWEZNQCLSA-N 2 0 357.420 3.308 20 0 FGADRP CCC(CC)[C@H](CNC(=O)N1C[C@H]([NH+]2CCCC2)C[C@H]1C)[NH+]1CCCC1 ZINC000478206251 501909602 /nfs/dbraw/zinc/90/96/02/501909602.db2.gz MJFBZACWLSWKSX-RLLQIKCJSA-N 2 0 364.578 3.155 20 0 FGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]C2CCC(C)(C(=O)OCC)CC2)[C@@H](C)C1 ZINC000474722264 501933163 /nfs/dbraw/zinc/93/31/63/501933163.db2.gz ZFQXVKQPBYIKRV-VWMQHHCSSA-N 2 0 368.562 3.225 20 0 FGADRP CC(C)C[C@@H](CNC(=O)NCC1CC[NH+](C)CC1)[NH2+][C@@H](C)c1ccccc1 ZINC000468024631 501933380 /nfs/dbraw/zinc/93/33/80/501933380.db2.gz BJBAQRPMXITGCZ-RXVVDRJESA-N 2 0 374.573 3.393 20 0 FGADRP CC(C)[C@H]1CCC[C@@H]([NH2+]CC2CC[NH+](CC(=O)NC(C)(C)C)CC2)C1 ZINC000474807679 501958740 /nfs/dbraw/zinc/95/87/40/501958740.db2.gz JILXFHSCUYSYOQ-RBUKOAKNSA-N 2 0 351.579 3.418 20 0 FGADRP CC[C@@H]([NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1)c1ccc(F)cc1 ZINC000482121077 501981242 /nfs/dbraw/zinc/98/12/42/501981242.db2.gz KVFROBZCDSLLRX-OAQYLSRUSA-N 2 0 356.489 3.474 20 0 FGADRP C[C@H]1CCC[C@H](C)C1NC(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1 ZINC000478497211 502000517 /nfs/dbraw/zinc/00/05/17/502000517.db2.gz ZRVPNYYMINHXGL-ROUUACIJSA-N 2 0 364.578 3.061 20 0 FGADRP C[C@H]1CC[N@H+](CCOc2ccc(NC(=O)C[NH+]3CCC(C)CC3)cc2)C1 ZINC000474944605 502001663 /nfs/dbraw/zinc/00/16/63/502001663.db2.gz SRWDLFMMBYMVFL-SFHVURJKSA-N 2 0 359.514 3.078 20 0 FGADRP C[C@@H](C[N@H+](C)CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)c1ccccc1 ZINC000475033788 502028855 /nfs/dbraw/zinc/02/88/55/502028855.db2.gz SJABYYTVKBHVLN-GHTZIAJQSA-N 2 0 353.510 3.141 20 0 FGADRP C[C@@H](CC1CCCC1)[NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000468428365 502057241 /nfs/dbraw/zinc/05/72/41/502057241.db2.gz MLJTVGNEVXRXQX-LAUBAEHRSA-N 2 0 357.542 3.442 20 0 FGADRP C[NH+](C)Cc1c2ccccc2oc1C(=O)NC[C@@H]1[N@H+](C)CCCC1(C)C ZINC000468466656 502067264 /nfs/dbraw/zinc/06/72/64/502067264.db2.gz KQFOTGLQFYMMJU-SFHVURJKSA-N 2 0 357.498 3.345 20 0 FGADRP O=C(NCc1cccc(C[NH+]2CCCC2)c1)[C@H]1CCN1Cc1ccccc1 ZINC000468483694 502076232 /nfs/dbraw/zinc/07/62/32/502076232.db2.gz LJMVLVBGBXLUPR-JOCHJYFZSA-N 2 0 363.505 3.173 20 0 FGADRP C[C@H](CCCCN1C(=O)c2ccccc2C1=O)[NH2+][C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000471594219 502079605 /nfs/dbraw/zinc/07/96/05/502079605.db2.gz CBLRIDJMZPRBQL-SQNIBIBYSA-N 2 0 371.525 3.304 20 0 FGADRP C[NH+](C)[C@H](CNC(=O)C[NH2+][C@@]1(C)CCCc2ccccc21)c1ccccc1 ZINC000475145159 502079706 /nfs/dbraw/zinc/07/97/06/502079706.db2.gz OXCBGMNORLUAJT-GGAORHGYSA-N 2 0 365.521 3.247 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)NCC(C)(C)C[NH+]2CCCC2)C1 ZINC000478780308 502083254 /nfs/dbraw/zinc/08/32/54/502083254.db2.gz MAKPHEOYXHDIHZ-KDURUIRLSA-N 2 0 366.594 3.166 20 0 FGADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)NCC(C)(C)C[NH+]2CCCC2)C1 ZINC000478791407 502086380 /nfs/dbraw/zinc/08/63/80/502086380.db2.gz DRUHYNZEUUHBLS-ICSRJNTNSA-N 2 0 372.557 3.243 20 0 FGADRP CCC[N@H+](CC)CCNC(=O)N(CC)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000475183032 502092178 /nfs/dbraw/zinc/09/21/78/502092178.db2.gz MSMJSDORYJCYNI-FQEVSTJZSA-N 2 0 360.546 3.024 20 0 FGADRP CC[C@H]([NH2+][C@H](C)c1cc(F)ccc1N1CC[NH+](CC)CC1)[C@H]1CCOC1 ZINC000482570523 502112957 /nfs/dbraw/zinc/11/29/57/502112957.db2.gz XSPDHRTWQSJNST-UWVAXJGDSA-N 2 0 363.521 3.433 20 0 FGADRP O=C([C@@H]1CCC[N@H+](Cc2ccccc2)C1)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000461438093 502114327 /nfs/dbraw/zinc/11/43/27/502114327.db2.gz KFSSSFUSZNIZGQ-FCHUYYIVSA-N 2 0 369.553 3.233 20 0 FGADRP CCC[C@H]([NH2+]C(C)C)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000461445093 502117185 /nfs/dbraw/zinc/11/71/85/502117185.db2.gz BTSRRIVEBAJWES-HKBOAZHASA-N 2 0 357.542 3.134 20 0 FGADRP C[N@@H+]1CCCC[C@@H]1CCC(=O)N1C[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000461448080 502117959 /nfs/dbraw/zinc/11/79/59/502117959.db2.gz OTISRGJYVFNZJX-BHIFYINESA-N 2 0 369.553 3.231 20 0 FGADRP CCCN(CCC[NH+](C)C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000468664660 502140669 /nfs/dbraw/zinc/14/06/69/502140669.db2.gz BQKPIRQMVMDBJX-CTNGQTDRSA-N 2 0 374.573 3.270 20 0 FGADRP C[C@@H]1C[NH+](Cc2ccccc2C[NH2+][C@H]2CCCc3nn(C)cc32)C[C@@H](C)O1 ZINC000479064116 502151641 /nfs/dbraw/zinc/15/16/41/502151641.db2.gz GHABNZZHGHSZJA-LZJOCLMNSA-N 2 0 368.525 3.197 20 0 FGADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)N[C@H](C)C[NH+](C)Cc2ccccc2)C[C@H]1C ZINC000461721040 502179243 /nfs/dbraw/zinc/17/92/43/502179243.db2.gz FYNLHRQIMCMOOM-QWFCFKBJSA-N 2 0 360.546 3.021 20 0 FGADRP [NH3+]C[C@H](C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1)c1ccc(F)cc1 ZINC000479195182 502189921 /nfs/dbraw/zinc/18/99/21/502189921.db2.gz ZWAYHMMBCBOAJX-FQEVSTJZSA-N 2 0 355.457 3.145 20 0 FGADRP [NH3+]C[C@@H](C(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1)c1ccc(F)cc1 ZINC000479227240 502198427 /nfs/dbraw/zinc/19/84/27/502198427.db2.gz SZALSALCEHLMRZ-NHCUHLMSSA-N 2 0 369.484 3.039 20 0 FGADRP CCC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(OCC[NH+]2CC[C@@H](C)C2)cc1 ZINC000465196957 502211799 /nfs/dbraw/zinc/21/17/99/502211799.db2.gz QEMPJXXVJBGQOZ-XLIONFOSSA-N 2 0 359.514 3.220 20 0 FGADRP C[NH+]1CCC(C[NH2+]Cc2cc3ccc(F)cc3[nH]2)(N2CCCCC2)CC1 ZINC000486706232 502238470 /nfs/dbraw/zinc/23/84/70/502238470.db2.gz KDQUUUNAXNOAJG-UHFFFAOYSA-N 2 0 358.505 3.347 20 0 FGADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000462018075 502275596 /nfs/dbraw/zinc/27/55/96/502275596.db2.gz YOBWZIDVVLTGHJ-PMACEKPBSA-N 2 0 357.542 3.026 20 0 FGADRP CC[C@H]1C[N@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)CC[C@H]1c1ccccc1 ZINC000472232999 502279532 /nfs/dbraw/zinc/27/95/32/502279532.db2.gz WCXORWOSEUPGCQ-PGRDOPGGSA-N 2 0 369.553 3.245 20 0 FGADRP CCC[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000486845497 502282193 /nfs/dbraw/zinc/28/21/93/502282193.db2.gz WALBDUGQAOCGQK-OAQYLSRUSA-N 2 0 357.542 3.231 20 0 FGADRP CC[N@H+](CCNC(=O)N1CCC(CC[NH+]2CCCC[C@@H]2C)CC1)C1CC1 ZINC000479520664 502284784 /nfs/dbraw/zinc/28/47/84/502284784.db2.gz YKPCNHSHVFVRRE-SFHVURJKSA-N 2 0 364.578 3.157 20 0 FGADRP CC(C)[C@H](CNC(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C)[NH+]1CCC(C)CC1 ZINC000465530138 502291395 /nfs/dbraw/zinc/29/13/95/502291395.db2.gz NBOOMRGRESOYFQ-PMACEKPBSA-N 2 0 366.594 3.259 20 0 FGADRP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)NC[C@H](C1CCCCC1)[NH+](C)C ZINC000465541908 502299543 /nfs/dbraw/zinc/29/95/43/502299543.db2.gz MQWPFFYLHJITBT-RBUKOAKNSA-N 2 0 352.567 3.013 20 0 FGADRP C[C@@H]1C[C@H](CCNC(=O)CC2CC[NH+](C)CC2)C[N@@H+]1Cc1ccccc1 ZINC000486910453 502300664 /nfs/dbraw/zinc/30/06/64/502300664.db2.gz HYKRGKUYFRIWFK-NQIIRXRSSA-N 2 0 357.542 3.135 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CNC(=O)NCc1ccccc1C[NH+]1CCC[C@H](C)C1 ZINC000465579870 502314163 /nfs/dbraw/zinc/31/41/63/502314163.db2.gz VUYVGICNONQHCE-RXVVDRJESA-N 2 0 372.557 3.202 20 0 FGADRP CC1CC[NH+](CCCCNC(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)CC1 ZINC000465595735 502319764 /nfs/dbraw/zinc/31/97/64/502319764.db2.gz JHVRTVRVBQCKTR-LJQANCHMSA-N 2 0 352.567 3.014 20 0 FGADRP CCC(C)(C)[NH2+][C@H](C)C(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1F ZINC000475897573 502324581 /nfs/dbraw/zinc/32/45/81/502324581.db2.gz NPEXGZYMNAKOCI-CQSZACIVSA-N 2 0 355.473 3.022 20 0 FGADRP CCC[N@H+](CCC1CC[NH2+]CC1)CC(=O)Nc1ccc(F)c(F)c1F ZINC000479678695 502341025 /nfs/dbraw/zinc/34/10/25/502341025.db2.gz VGVXTDPMHGEQKG-UHFFFAOYSA-N 2 0 357.420 3.144 20 0 FGADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)NC2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC000465766862 502377503 /nfs/dbraw/zinc/37/75/03/502377503.db2.gz YBPGPCLTFPHGSA-VZHSDHNVSA-N 2 0 370.541 3.136 20 0 FGADRP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)c1oc2ccccc2c1C[NH+](C)C ZINC000469345761 502383281 /nfs/dbraw/zinc/38/32/81/502383281.db2.gz RDQVGAOFZANLOC-IYBDPMFKSA-N 2 0 357.498 3.487 20 0 FGADRP CCn1cc(CC[NH2+][C@H](C)c2cc(F)ccc2N2CC[NH+](CC)CC2)cn1 ZINC000472567373 502386319 /nfs/dbraw/zinc/38/63/19/502386319.db2.gz GIGJFTOFRRBKKP-QGZVFWFLSA-N 2 0 373.520 3.077 20 0 FGADRP CC[NH+](CC)[C@@H]1CCN(C(=O)NC[C@H](c2ccc(C)cc2)[NH+]2CCCC2)C1 ZINC000465814883 502392479 /nfs/dbraw/zinc/39/24/79/502392479.db2.gz MWAHGCCKIMLPAD-NHCUHLMSSA-N 2 0 372.557 3.258 20 0 FGADRP Cc1ccc([C@@H](CNC(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)[NH+](C)C)cc1 ZINC000465822361 502396006 /nfs/dbraw/zinc/39/60/06/502396006.db2.gz VZOOWROLOMBKJP-NHCUHLMSSA-N 2 0 372.557 3.161 20 0 FGADRP CC[C@@H](C)[N@H+](C)CCNC(=O)N1CC[C@H](C)[NH+](Cc2ccccc2)CC1 ZINC000465846392 502401856 /nfs/dbraw/zinc/40/18/56/502401856.db2.gz NWIQEFGQGSRTKV-MOPGFXCFSA-N 2 0 360.546 3.023 20 0 FGADRP CCCCCNC(=O)CN1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000483484885 502405663 /nfs/dbraw/zinc/40/56/63/502405663.db2.gz QVJXCCZOWMGQGD-LEWJYISDSA-N 2 0 357.542 3.279 20 0 FGADRP CC(C)(C)NC(=O)C[NH+]1CCC(C[NH2+]Cc2sccc2Cl)CC1 ZINC000487276234 502407441 /nfs/dbraw/zinc/40/74/41/502407441.db2.gz WRSNTIFBCZRBPO-UHFFFAOYSA-N 2 0 357.951 3.118 20 0 FGADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)N1CC[C@@H](C)[NH+](Cc2ccccc2)CC1 ZINC000465886180 502416096 /nfs/dbraw/zinc/41/60/96/502416096.db2.gz ITWONGWREMGOBD-CTNGQTDRSA-N 2 0 372.557 3.167 20 0 FGADRP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N[C@@H]1C[C@@H](C)[NH+](C2CC2)C1 ZINC000469441308 502419437 /nfs/dbraw/zinc/41/94/37/502419437.db2.gz TUJFUAWBWZQXPD-QFUCXCTJSA-N 2 0 372.557 3.067 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@H](C)Oc2ccccc2F)[C@H](C)C1 ZINC000483617976 502444516 /nfs/dbraw/zinc/44/45/16/502444516.db2.gz SMMULFBDLJROEI-AOIWGVFYSA-N 2 0 352.494 3.320 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@H](C)Oc2ccc(F)cc2)[C@@H](C)C1 ZINC000483628928 502447626 /nfs/dbraw/zinc/44/76/26/502447626.db2.gz RYINXQQEIJFZGO-ZWOKBUDYSA-N 2 0 352.494 3.320 20 0 FGADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)NCC2([NH+](C)C)CCCCCC2)C[C@@H]1C ZINC000483714550 502472183 /nfs/dbraw/zinc/47/21/83/502472183.db2.gz OQGRYDIHUPBFNQ-ZWKOTPCHSA-N 2 0 352.567 3.155 20 0 FGADRP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000462535745 502479203 /nfs/dbraw/zinc/47/92/03/502479203.db2.gz QBAVOTFOAOOQEH-QYZOEREBSA-N 2 0 352.567 3.011 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CC[NH+]([C@H](C)c3ccccc3)C2)C[C@@H]1C ZINC000483756149 502484392 /nfs/dbraw/zinc/48/43/92/502484392.db2.gz CFWQOAOELZCMNV-ZSXPUABSSA-N 2 0 372.557 3.336 20 0 FGADRP C[C@@H](CCNC(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1)[NH+](C)Cc1ccccc1 ZINC000473002321 502496372 /nfs/dbraw/zinc/49/63/72/502496372.db2.gz ROOUUNJFOYUDMC-AZUAARDMSA-N 2 0 372.557 3.213 20 0 FGADRP C[C@@H]1C[NH+](CC2CC[NH+](CCOc3ccc(F)cc3)CC2)C[C@@H](C)O1 ZINC000588709454 506317204 /nfs/dbraw/zinc/31/72/04/506317204.db2.gz BMYRGJNCNFEVST-IAGOWNOFSA-N 2 0 350.478 3.026 20 0 FGADRP CCC[N@H+](CC)C[C@@H](C)NC(=O)N1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000462617575 502509158 /nfs/dbraw/zinc/50/91/58/502509158.db2.gz LHSKAEJWJPAAMV-VAMGGRTRSA-N 2 0 366.594 3.403 20 0 FGADRP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](CCC(=O)Nc2cccnc2)CC1 ZINC000483952915 502530951 /nfs/dbraw/zinc/53/09/51/502530951.db2.gz IHMSXSKTRTUXBK-SFHVURJKSA-N 2 0 358.530 3.387 20 0 FGADRP C[C@H]1C[C@H](CC[NH2+]Cc2cn(C(C)(C)C)nn2)C[N@@H+]1Cc1ccccc1 ZINC000480305813 502532712 /nfs/dbraw/zinc/53/27/12/502532712.db2.gz GNWWSQNXVYFHEL-HKUYNNGSSA-N 2 0 355.530 3.423 20 0 FGADRP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1[NH2+]CCC(=O)N1CCCCC1 ZINC000469757311 502533494 /nfs/dbraw/zinc/53/34/94/502533494.db2.gz LXOUHVRBSQRTTK-OALUTQOASA-N 2 0 357.542 3.135 20 0 FGADRP C[C@@H]([NH2+][C@H]1CCCN(CC(F)(F)F)C1=O)c1cccc(-n2ccnc2)c1 ZINC000469779785 502541866 /nfs/dbraw/zinc/54/18/66/502541866.db2.gz LBMSSEQCPNWCEU-CJNGLKHVSA-N 2 0 366.387 3.076 20 0 FGADRP OC[C@@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+][C@@H]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000466365952 502548819 /nfs/dbraw/zinc/54/88/19/502548819.db2.gz YVBNORHRROPQQU-HWHRFOGPSA-N 2 0 372.553 3.328 20 0 FGADRP C[NH+](C)[C@@H]1CCCN(C(=O)NC[C@H]2CCCC[N@H+](Cc3ccccc3)C2)C1 ZINC000462750262 502557043 /nfs/dbraw/zinc/55/70/43/502557043.db2.gz NKLSFKADLOLASZ-NHCUHLMSSA-N 2 0 372.557 3.024 20 0 FGADRP C[C@@H](Oc1ccc(Cl)cc1Cl)[C@H](C)[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000484134143 502579147 /nfs/dbraw/zinc/57/91/47/502579147.db2.gz JUFDAPLKRHKSLA-QWHCGFSZSA-N 2 0 361.313 3.196 20 0 FGADRP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000469884988 502583378 /nfs/dbraw/zinc/58/33/78/502583378.db2.gz RBXFLLXWEKXPNZ-KSEOMHKRSA-N 2 0 352.526 3.416 20 0 FGADRP CC1CC[NH+](CCC[C@H]([NH2+]C[C@H]2COCCO2)c2ccc(F)cc2)CC1 ZINC000462817006 502585502 /nfs/dbraw/zinc/58/55/02/502585502.db2.gz NDSKIKQSFDENIZ-SFTDATJTSA-N 2 0 364.505 3.384 20 0 FGADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)[C@H](c2ccccc2)N2CCOCC2)C1 ZINC000480584086 502610513 /nfs/dbraw/zinc/61/05/13/502610513.db2.gz PEAYUQUYJWZNDX-JAXLGGSGSA-N 2 0 359.558 3.158 20 0 FGADRP CC[C@H](C)[NH2+][C@H](CNC(=O)NC1CC[NH+](C(C)(C)C)CC1)c1ccco1 ZINC000484365743 502633508 /nfs/dbraw/zinc/63/35/08/502633508.db2.gz HDWJJXOBELOMTM-DOTOQJQBSA-N 2 0 364.534 3.271 20 0 FGADRP CC[NH+]1CCN(CCC[NH2+]Cc2ccc(-c3cccc(F)c3F)o2)CC1 ZINC000480662664 502635932 /nfs/dbraw/zinc/63/59/32/502635932.db2.gz VIGYSSLGOPXARU-UHFFFAOYSA-N 2 0 363.452 3.342 20 0 FGADRP C[NH+](C)Cc1cc(CNC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)ccc1F ZINC000480722727 502653319 /nfs/dbraw/zinc/65/33/19/502653319.db2.gz CJGUNVOGAHOFAO-KRWDZBQOSA-N 2 0 361.505 3.158 20 0 FGADRP CCC[N@H+](CC)C[C@H](C)NC(=O)N1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000463061810 502680268 /nfs/dbraw/zinc/68/02/68/502680268.db2.gz LHSKAEJWJPAAMV-SLFFLAALSA-N 2 0 366.594 3.403 20 0 FGADRP Cc1cccc(C(=O)NCC[NH2+][C@@H](C)c2ccc(OCC[NH+](C)C)cc2)c1 ZINC000480895948 502699766 /nfs/dbraw/zinc/69/97/66/502699766.db2.gz AHYXYYPSNZLZNA-SFHVURJKSA-N 2 0 369.509 3.016 20 0 FGADRP CC[C@H](CNC(=O)CC[C@@H]1CCCC[N@@H+]1C)[NH+]1CCc2ccccc2C1 ZINC000480920726 502705484 /nfs/dbraw/zinc/70/54/84/502705484.db2.gz KHXCHEYTWZDMRQ-RTWAWAEBSA-N 2 0 357.542 3.204 20 0 FGADRP CC(C)(C)NC(=O)C[NH+]1CCC(C[NH2+][C@@H]2CS[C@@H](C(C)(C)C)C2)CC1 ZINC000488419535 502709206 /nfs/dbraw/zinc/70/92/06/502709206.db2.gz UYWBAOAKWLGJJX-DLBZAZTESA-N 2 0 369.619 3.123 20 0 FGADRP CC[N@@H+]1CC[C@H]([NH2+][C@H]2CCN(c3cccc(OC(F)(F)F)c3)C2)[C@@H](C)C1 ZINC000470243763 502714426 /nfs/dbraw/zinc/71/44/26/502714426.db2.gz PJDPPGLAYVAELC-MPGHIAIKSA-N 2 0 371.447 3.484 20 0 FGADRP C[NH+](C)CC1CC[NH+](CC(=O)N[C@H](c2ccccc2)C2CCCC2)CC1 ZINC000480997424 502724392 /nfs/dbraw/zinc/72/43/92/502724392.db2.gz IKGQAJSMYJRSLW-JOCHJYFZSA-N 2 0 357.542 3.308 20 0 FGADRP CCN(C(=O)NCC[NH+](CC)CC)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000473884247 502737167 /nfs/dbraw/zinc/73/71/67/502737167.db2.gz HLSPCGOTISQTSB-UYAOXDASSA-N 2 0 360.546 3.195 20 0 FGADRP CCN(C(=O)NC1CC[NH+](CC)CC1)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000473883593 502737504 /nfs/dbraw/zinc/73/75/04/502737504.db2.gz ZVYVLHLFCNIPQE-NQIIRXRSSA-N 2 0 372.557 3.338 20 0 FGADRP c1ccc(CN2CCC([NH2+]CC[C@@H]3COc4ccccc4O3)CC2)cc1 ZINC000481088561 502750510 /nfs/dbraw/zinc/75/05/10/502750510.db2.gz FIYPNKBQWBOZRJ-HXUWFJFHSA-N 2 0 352.478 3.471 20 0 FGADRP Cc1ccc([C@H](CNC(=O)N2CC[N@@H+](C3CCC3)C[C@H](C)C2)[NH+](C)C)cc1 ZINC000488584017 502757521 /nfs/dbraw/zinc/75/75/21/502757521.db2.gz QHDJOYVARDJJBE-RXVVDRJESA-N 2 0 372.557 3.114 20 0 FGADRP Cc1ccc([C@H](CNC(=O)N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)[NH+](C)C)cc1 ZINC000488584014 502757981 /nfs/dbraw/zinc/75/79/81/502757981.db2.gz QHDJOYVARDJJBE-NQIIRXRSSA-N 2 0 372.557 3.114 20 0 FGADRP CC1CCC(NC(=O)CN[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000481176162 502773257 /nfs/dbraw/zinc/77/32/57/502773257.db2.gz XIJVIRAXKQWCSV-USXQIBFBSA-N 2 0 357.542 3.182 20 0 FGADRP Cc1ccccc1C[NH+]1CCC(NC(=O)C[NH2+][C@@H]2CC[C@@H](C)C[C@@H]2C)CC1 ZINC000481180069 502775340 /nfs/dbraw/zinc/77/53/40/502775340.db2.gz LDGHFWAHECAAQZ-ZWCUEREDSA-N 2 0 371.569 3.490 20 0 FGADRP Cc1ccc(C)c(NC(=O)Cc2nc(CN3CC[C@H]([C@H](C)[NH3+])C3)cs2)c1 ZINC000484947714 502784312 /nfs/dbraw/zinc/78/43/12/502784312.db2.gz QKRJSXMPZSBPCS-HOTGVXAUSA-N 2 0 372.538 3.110 20 0 FGADRP CC(C)[NH+](CCCNC(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C)C(C)C ZINC000470490909 502793264 /nfs/dbraw/zinc/79/32/64/502793264.db2.gz WTBBBURLPICORZ-LJQANCHMSA-N 2 0 366.525 3.237 20 0 FGADRP COc1ccccc1[C@H](CNC(=O)C[NH+]1CCC(C)CC1)[NH+]1CCCCC1 ZINC000474063838 502795458 /nfs/dbraw/zinc/79/54/58/502795458.db2.gz HCDJIRSICNYDMP-FQEVSTJZSA-N 2 0 373.541 3.070 20 0 FGADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000500823337 502871216 /nfs/dbraw/zinc/87/12/16/502871216.db2.gz AHIOIELRCWCHDR-LEWJYISDSA-N 2 0 372.557 3.387 20 0 FGADRP CO[C@H](c1ccccc1Cl)[C@@H](C)[NH2+]CCCN1CC[NH+](C(C)C)CC1 ZINC000500991930 502907860 /nfs/dbraw/zinc/90/78/60/502907860.db2.gz XFWXRYOFSAFFLJ-XLIONFOSSA-N 2 0 367.965 3.422 20 0 FGADRP C[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CCCCN3Cc3ccc(F)cc3)C2)C1 ZINC000505602038 502946266 /nfs/dbraw/zinc/94/62/66/502946266.db2.gz JYTBGJPPUJEAEV-IRLDBZIGSA-N 2 0 373.516 3.125 20 0 FGADRP C[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCCCN3Cc3ccc(F)cc3)C2)C1 ZINC000505602035 502946588 /nfs/dbraw/zinc/94/65/88/502946588.db2.gz JYTBGJPPUJEAEV-IFMALSPDSA-N 2 0 373.516 3.125 20 0 FGADRP CCCN(CC[NH+]1CCCC1)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000513509852 502956261 /nfs/dbraw/zinc/95/62/61/502956261.db2.gz VYFJKQCEXSTKPV-UHFFFAOYSA-N 2 0 372.557 3.168 20 0 FGADRP C[C@@H]1C[C@@H](CC[NH2+]Cc2cccc(C(N)=O)c2)C[N@@H+]1Cc1ccccc1 ZINC000513544628 502963241 /nfs/dbraw/zinc/96/32/41/502963241.db2.gz KNMGKBPJEDGSEU-YLJYHZDGSA-N 2 0 351.494 3.176 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cc(C)n(C(C)C)c1C ZINC000505749464 502978328 /nfs/dbraw/zinc/97/83/28/502978328.db2.gz IXOVOXAKJVVGMX-IBGZPJMESA-N 2 0 362.562 3.174 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CCc1ccc(C)cc1C ZINC000505760658 502980719 /nfs/dbraw/zinc/98/07/19/502980719.db2.gz VXDFNHGZYKEODT-OAQYLSRUSA-N 2 0 359.558 3.111 20 0 FGADRP COc1ccc(Br)cc1C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000513656262 502992368 /nfs/dbraw/zinc/99/23/68/502992368.db2.gz QYWTVYRKAJPXIN-BZUAXINKSA-N 2 0 353.304 3.420 20 0 FGADRP CS[C@@H]1CCCC[NH+](CCOCC[N@H+]2CCCC[C@@H](SC)C2)C1 ZINC000489619904 502999725 /nfs/dbraw/zinc/99/97/25/502999725.db2.gz INKFCXYUGKSHAZ-QZTJIDSGSA-N 2 0 360.633 3.438 20 0 FGADRP C[C@@H]1CN(C(=O)c2cccc(C[N@H+](C)Cc3ccccc3)c2)[C@@H](C)C[NH2+]1 ZINC000505875425 503003767 /nfs/dbraw/zinc/00/37/67/503003767.db2.gz WCCAGDDSLZUHQU-MSOLQXFVSA-N 2 0 351.494 3.141 20 0 FGADRP CC[NH+]1CCN(Cc2ccc(C[NH2+][C@H](C)Cc3ccc(O)cc3)cc2)CC1 ZINC000509959537 503018333 /nfs/dbraw/zinc/01/83/33/503018333.db2.gz XFMDUQPFTZYGJU-LJQANCHMSA-N 2 0 367.537 3.251 20 0 FGADRP C[C@H](CNC(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1)[NH+]1CCC[C@@H](C)C1 ZINC000501515802 503026503 /nfs/dbraw/zinc/02/65/03/503026503.db2.gz CUEOOZWPQBYORS-SBHAEUEKSA-N 2 0 372.557 3.071 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)NCC[N@@H+]1CCCC[C@@H]1C)c1ccccc1 ZINC000501547122 503034498 /nfs/dbraw/zinc/03/44/98/503034498.db2.gz RSROJLFXCSVBMS-AZUAARDMSA-N 2 0 360.546 3.243 20 0 FGADRP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000513891553 503042870 /nfs/dbraw/zinc/04/28/70/503042870.db2.gz ITOIZZQYKRYKHR-SBHAEUEKSA-N 2 0 372.557 3.243 20 0 FGADRP C[NH+](C)C1(CNC(=O)NCCC[N@@H+](C)C2CCCCC2)CCCCC1 ZINC000501601864 503047020 /nfs/dbraw/zinc/04/70/20/503047020.db2.gz LBVWPIBROSZSFZ-UHFFFAOYSA-N 2 0 352.567 3.205 20 0 FGADRP C[C@@H](C(=O)N1c2ccccc2C[C@H]1C)[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000501773728 503077629 /nfs/dbraw/zinc/07/76/29/503077629.db2.gz KTPPYVOJWFKJTE-MSOLQXFVSA-N 2 0 357.542 3.407 20 0 FGADRP C[C@H](CCc1ccc(F)cc1F)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000514086995 503083737 /nfs/dbraw/zinc/08/37/37/503083737.db2.gz FBLMMJKHMOEGPI-MRXNPFEDSA-N 2 0 374.479 3.223 20 0 FGADRP CC[NH+]1CCC(NC(=O)NCC[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC000510336828 503094180 /nfs/dbraw/zinc/09/41/80/503094180.db2.gz NPKNONXPQKASOR-AZUAARDMSA-N 2 0 372.557 3.071 20 0 FGADRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCCCC[NH+]2CCCC[C@@H]2C)C1 ZINC000514126705 503094473 /nfs/dbraw/zinc/09/44/73/503094473.db2.gz LHSXEFYMXUAECS-MOPGFXCFSA-N 2 0 366.594 3.451 20 0 FGADRP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)N2CCCC23CC[NH+](C)CC3)C1 ZINC000510350293 503096874 /nfs/dbraw/zinc/09/68/74/503096874.db2.gz HYTOHNGJUADXHJ-QZTJIDSGSA-N 2 0 364.578 3.013 20 0 FGADRP Cc1ccc([C@H](CNC(=O)NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)[NH+](C)C)cc1 ZINC000514220105 503116263 /nfs/dbraw/zinc/11/62/63/503116263.db2.gz UWLHYURNDOOPCG-ZJOUEHCJSA-N 2 0 374.573 3.265 20 0 FGADRP CC[C@H]([NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1)c1ccccc1F ZINC000490167572 503121191 /nfs/dbraw/zinc/12/11/91/503121191.db2.gz KTNHTCATARHUEP-NRFANRHFSA-N 2 0 356.489 3.474 20 0 FGADRP C[C@@H]1C[C@H](CCNC(=O)[C@@H]([NH3+])c2ccccc2)C[N@@H+]1Cc1ccccc1 ZINC000498214140 503132698 /nfs/dbraw/zinc/13/26/98/503132698.db2.gz NVEUBMMRAFAONU-LMNJBCLMSA-N 2 0 351.494 3.103 20 0 FGADRP C[C@H](NC(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1)[C@@H](c1ccccc1)[NH+](C)C ZINC000498270602 503147685 /nfs/dbraw/zinc/14/76/85/503147685.db2.gz AQSOZFNSULSHOR-WMQCIHAUSA-N 2 0 372.557 3.242 20 0 FGADRP C[C@@H]1CCc2nc(C[NH2+]CCCC[NH+]3C[C@@H](C)O[C@H](C)C3)sc2C1 ZINC000498351466 503164183 /nfs/dbraw/zinc/16/41/83/503164183.db2.gz CJDCDEPVXHROMT-BZUAXINKSA-N 2 0 351.560 3.247 20 0 FGADRP CC[N@H+](Cc1ccc(C(=O)N2CC[NH+](C3CCCC3)CC2)cc1)C1CC1 ZINC000510705037 503176370 /nfs/dbraw/zinc/17/63/70/503176370.db2.gz RCFLTOYIMKRXRO-UHFFFAOYSA-N 2 0 355.526 3.371 20 0 FGADRP COc1cc(C[NH+]2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)cc(Cl)c1OC ZINC000514719502 503176686 /nfs/dbraw/zinc/17/66/86/503176686.db2.gz DUOKIUWHXWZIPM-SJLPKXTDSA-N 2 0 368.905 3.076 20 0 FGADRP Cc1cccc([C@@H]([NH2+][C@H](C)CN2CC[NH+](C)CC2)c2cccc(F)c2)c1 ZINC000510747782 503184257 /nfs/dbraw/zinc/18/42/57/503184257.db2.gz HFSKHAVJVFWOPE-XMSQKQJNSA-N 2 0 355.501 3.449 20 0 FGADRP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000514783825 503192212 /nfs/dbraw/zinc/19/22/12/503192212.db2.gz DTNBVGCOWLJXEL-FXAWDEMLSA-N 2 0 358.530 3.084 20 0 FGADRP CC1CC[NH+](C2CCC([NH2+]C[C@H](O)COCc3ccccc3)CC2)CC1 ZINC000514855840 503211224 /nfs/dbraw/zinc/21/12/24/503211224.db2.gz CWFILFXIMDAFSV-HRTMPFAESA-N 2 0 360.542 3.197 20 0 FGADRP C[C@H](CCNC(=O)N1CC[C@@H]([NH+]2CCCC2)[C@H]1C)[N@H+](C)Cc1ccccc1 ZINC000498725841 503249972 /nfs/dbraw/zinc/24/99/72/503249972.db2.gz AMGKSGKQJOJNCE-SFHLNBCPSA-N 2 0 372.557 3.165 20 0 FGADRP CC(C)Sc1ccc(C[NH+]2CCC(C(=O)NCC[NH+](C)C)CC2)cc1 ZINC000511122368 503261588 /nfs/dbraw/zinc/26/15/88/503261588.db2.gz QGMWYHHAUPWBSK-UHFFFAOYSA-N 2 0 363.571 3.077 20 0 FGADRP CC(C)C[NH+]1CCC(NC(=O)NCCCC[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000502829734 503282623 /nfs/dbraw/zinc/28/26/23/503282623.db2.gz RJOJBZBEPWZWFD-OALUTQOASA-N 2 0 366.594 3.164 20 0 FGADRP CC(C)CC[NH+]1CCC(CNC(=O)N2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)CC1 ZINC000498895143 503285592 /nfs/dbraw/zinc/28/55/92/503285592.db2.gz VXIBZEOUZXGOST-ICSRJNTNSA-N 2 0 364.578 3.013 20 0 FGADRP CCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000498898587 503286932 /nfs/dbraw/zinc/28/69/32/503286932.db2.gz COQQLIMUEWPXCF-NRSPTQNISA-N 2 0 372.557 3.213 20 0 FGADRP CC(C)CC[NH+]1CCC(CNC(=O)N2CC[C@@H]([NH+]3CCCC3)[C@@H]2C)CC1 ZINC000498907356 503289199 /nfs/dbraw/zinc/28/91/99/503289199.db2.gz LVGWOICAVBRHGE-AZUAARDMSA-N 2 0 364.578 3.013 20 0 FGADRP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C(=O)NCC[NH+](C)C)cc2)c2ccccc21 ZINC000582688935 506366895 /nfs/dbraw/zinc/36/68/95/506366895.db2.gz VKWCYGFEDPWCBT-IIBYNOLFSA-N 2 0 351.494 3.316 20 0 FGADRP C[C@H](C[NH+]1CCCCC1)NC(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000502916174 503307625 /nfs/dbraw/zinc/30/76/25/503307625.db2.gz DPIJKMFAUMMVJZ-MSOLQXFVSA-N 2 0 360.546 3.289 20 0 FGADRP C[NH+](C)CCOCC[NH2+]Cc1ccc(-c2cccc(Br)c2)o1 ZINC000499230837 503360855 /nfs/dbraw/zinc/36/08/55/503360855.db2.gz UJIRSDXXJWTVOT-UHFFFAOYSA-N 2 0 367.287 3.377 20 0 FGADRP CC(C)[C@@H](C(=O)Nc1ccc(NC(=O)CC[NH+]2CCCCC2)cc1)[C@@H](C)[NH3+] ZINC000515654029 503380914 /nfs/dbraw/zinc/38/09/14/503380914.db2.gz AYBBWKJNJVIXEG-OXQOHEQNSA-N 2 0 374.529 3.059 20 0 FGADRP [NH3+]C1(CNC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CCCCC1 ZINC000515809277 503405693 /nfs/dbraw/zinc/40/56/93/503405693.db2.gz ZXXBHVUBCKOKMV-IHWFROFDSA-N 2 0 370.541 3.143 20 0 FGADRP CCC[N@H+](C)[C@H](CNC(=O)N1CCC[C@H](C[NH3+])C1)c1ccc(Cl)cc1 ZINC000515811091 503406174 /nfs/dbraw/zinc/40/61/74/503406174.db2.gz OMYCLNHDIKUOBN-CRAIPNDOSA-N 2 0 366.937 3.103 20 0 FGADRP CC[C@H](C)[NH2+][C@H](CNC(=O)NC1CC([NH+]2CCCCC2)C1)c1ccco1 ZINC000503428407 503407273 /nfs/dbraw/zinc/40/72/73/503407273.db2.gz OEJAVQQURNYTOB-FCCDEINASA-N 2 0 362.518 3.025 20 0 FGADRP CC1CC[NH+](CCNC(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)CC1 ZINC000503443843 503410742 /nfs/dbraw/zinc/41/07/42/503410742.db2.gz SCIUZPCEVOGHHY-HXUWFJFHSA-N 2 0 364.578 3.016 20 0 FGADRP CC[C@H](C(=O)N1CCC[NH+](CC2CCC2)CC1)[N@H+](C)Cc1ccccc1 ZINC000508037770 503417743 /nfs/dbraw/zinc/41/77/43/503417743.db2.gz KVLSWSNMBPHTQN-OAQYLSRUSA-N 2 0 357.542 3.231 20 0 FGADRP CCN(CCC[NH+](CC)CC)C(=O)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000508211118 503454560 /nfs/dbraw/zinc/45/45/60/503454560.db2.gz OCIOFMZQAZKPMK-UHFFFAOYSA-N 2 0 354.498 3.441 20 0 FGADRP CCC[NH+]1CCN(c2ccccc2CN2C[C@H]([NH+]3CCCC3)C[C@H]2C)CC1 ZINC000516215158 503472754 /nfs/dbraw/zinc/47/27/54/503472754.db2.gz IKKJTMUVXUXKGS-IFMALSPDSA-N 2 0 370.585 3.277 20 0 FGADRP C[C@@H]1[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000494058828 503480784 /nfs/dbraw/zinc/48/07/84/503480784.db2.gz GXZQMJMZHUROCF-UIFIKXQLSA-N 2 0 355.526 3.173 20 0 FGADRP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2C[C@H](C)CC[C@H]2c2ccccc2)CC1 ZINC000512195457 503483321 /nfs/dbraw/zinc/48/33/21/503483321.db2.gz NUGBASLNCYJXIR-NQIIRXRSSA-N 2 0 357.542 3.449 20 0 FGADRP Fc1ccc(C[NH2+][C@@H]2CCO[C@@H]2C2CC2)cc1C[NH2+][C@@H]1CCO[C@@H]1C1CC1 ZINC000582706959 506376373 /nfs/dbraw/zinc/37/63/73/506376373.db2.gz VZPVGYVWHPUGQG-GXRSIYKFSA-N 2 0 374.500 3.140 20 0 FGADRP CCC[N@H+](CC)Cc1ccc(C(=O)NCc2cccnc2N(C)C)cc1 ZINC000508604318 503527618 /nfs/dbraw/zinc/52/76/18/503527618.db2.gz HEUVWYWLHUXFGB-UHFFFAOYSA-N 2 0 354.498 3.310 20 0 FGADRP C[C@@H]1CCC[C@](CNC(=O)NCc2ccc(C[NH+](C)C)cc2)([NH+](C)C)C1 ZINC000516560585 503536562 /nfs/dbraw/zinc/53/65/62/503536562.db2.gz TXZHOMCPMNZCJH-UTKZUKDTSA-N 2 0 360.546 3.058 20 0 FGADRP CC(C)[NH+]1CCN(c2cccc(NC(=O)[C@H](C)[NH+]3CCCCCC3)c2)CC1 ZINC000504198949 503538041 /nfs/dbraw/zinc/53/80/41/503538041.db2.gz GQTMKSSJCIWMAY-IBGZPJMESA-N 2 0 372.557 3.420 20 0 FGADRP C[C@@H]1C[C@@H](CCNC(=O)N2CCC[C@H]([NH+](C)C)C2)C[N@@H+]1Cc1ccccc1 ZINC000512435495 503549871 /nfs/dbraw/zinc/54/98/71/503549871.db2.gz JDIYFCBDRDINRS-NRSPTQNISA-N 2 0 372.557 3.023 20 0 FGADRP CN1CCN(c2cc[nH+]cc2NC(=O)CCc2cccc(Cl)c2)CC1 ZINC000516624961 503553715 /nfs/dbraw/zinc/55/37/15/503553715.db2.gz DNBPQZLYYCCHEL-UHFFFAOYSA-N 2 0 358.873 3.058 20 0 FGADRP CN1CCN(c2cc[nH+]cc2NC(=O)c2cc(Cl)sc2Cl)CC1 ZINC000516625011 503553753 /nfs/dbraw/zinc/55/37/53/503553753.db2.gz LKWGFKNPJYWTNO-UHFFFAOYSA-N 2 0 371.293 3.454 20 0 FGADRP [NH3+]Cc1ccc(NC(=O)NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)cc1 ZINC000516633230 503555973 /nfs/dbraw/zinc/55/59/73/503555973.db2.gz JYEDDMHOPITLPH-UHFFFAOYSA-N 2 0 370.419 3.072 20 0 FGADRP C[C@H]1[C@@H](NC(=O)NC2CCC(C[NH+](C)C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000500113459 503556837 /nfs/dbraw/zinc/55/68/37/503556837.db2.gz VCFVUVWWBDYDBC-RLHVNXBHSA-N 2 0 372.557 3.069 20 0 FGADRP CC(C)[NH+](CCN(C)C(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C)C(C)C ZINC000504393881 503566823 /nfs/dbraw/zinc/56/68/23/503566823.db2.gz AUSCLJAUMTUNPS-LJQANCHMSA-N 2 0 366.525 3.189 20 0 FGADRP C[NH+](C)CCOc1cc(C[NH2+]C2CC(c3cc(F)cc(F)c3)C2)ccn1 ZINC000516685433 503568684 /nfs/dbraw/zinc/56/86/84/503568684.db2.gz SXOOITZTTIHICD-UHFFFAOYSA-N 2 0 361.436 3.336 20 0 FGADRP CC1CC[NH+](Cc2ccc(CNC(=O)[C@@H]3CCC[N@@H+]3C3CC3)cc2)CC1 ZINC000494601109 503572150 /nfs/dbraw/zinc/57/21/50/503572150.db2.gz JOKXBYLCFCAWKB-NRFANRHFSA-N 2 0 355.526 3.162 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)CC[C@@H]2CCC[NH2+]2)C1 ZINC000494686943 503592219 /nfs/dbraw/zinc/59/22/19/503592219.db2.gz PNAMOMLCUWUAAD-UEXGIBASSA-N 2 0 357.542 3.313 20 0 FGADRP Cc1ccccc1[C@H]([C@@H](C)NC(=O)N(C)[C@H](C)C1CC[NH+](C)CC1)[NH+](C)C ZINC000508899875 503594733 /nfs/dbraw/zinc/59/47/33/503594733.db2.gz WIDLRQIFHLUZKW-OPYAIIAOSA-N 2 0 374.573 3.358 20 0 FGADRP C[C@H]1CCCC[N@@H+]1CCCNC(=O)[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000516839508 503597564 /nfs/dbraw/zinc/59/75/64/503597564.db2.gz IARSAYTVLDANGD-PZJWPPBQSA-N 2 0 357.542 3.279 20 0 FGADRP Cc1ccccc1[C@H]([C@@H](C)NC(=O)N1CCC([NH+]2CCCC2)CC1)[NH+](C)C ZINC000508926894 503601936 /nfs/dbraw/zinc/60/19/36/503601936.db2.gz WMAITRORPNEQMI-NQIIRXRSSA-N 2 0 372.557 3.256 20 0 FGADRP CCCC[NH+]1CCC([NH2+]C[C@@H](O)Cc2ccccc2C(F)(F)F)CC1 ZINC000516922464 503619512 /nfs/dbraw/zinc/61/95/12/503619512.db2.gz CQAZSDDSFSVBPL-KRWDZBQOSA-N 2 0 358.448 3.463 20 0 FGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]C[C@H](O)C(C)(C)C)CC1 ZINC000516960964 503631875 /nfs/dbraw/zinc/63/18/75/503631875.db2.gz IKHJVYIRLDGOGK-KXBFYZLASA-N 2 0 351.510 3.025 20 0 FGADRP C[C@H](NC(=O)NCC1([NH3+])CCCCCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000517019810 503645787 /nfs/dbraw/zinc/64/57/87/503645787.db2.gz PRWJFNZIZCPXBC-AZUAARDMSA-N 2 0 372.557 3.248 20 0 FGADRP CCC[N@@H+]1CC[C@@H](C[NH2+]C[C@@H](O)COc2ccc(-c3ccccc3)cc2)C1 ZINC000517025131 503646579 /nfs/dbraw/zinc/64/65/79/503646579.db2.gz JEYCXCIWIUASOJ-SIKLNZKXSA-N 2 0 368.521 3.415 20 0 FGADRP CCCN(CC[NH+]1CCCCC1)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000500567655 503647871 /nfs/dbraw/zinc/64/78/71/503647871.db2.gz YSEPSVLKNNGOII-LEWJYISDSA-N 2 0 372.557 3.339 20 0 FGADRP CN(C)c1nccc(N2CCN(Cc3ccc(-c4ccccc4)o3)CC2)n1 ZINC000536660670 503665468 /nfs/dbraw/zinc/66/54/68/503665468.db2.gz BMXLUALFEGNRRI-UHFFFAOYSA-N 2 0 363.465 3.125 20 0 FGADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]C[C@H](c1ccco1)N1CCCCC1 ZINC000543244025 503696489 /nfs/dbraw/zinc/69/64/89/503696489.db2.gz CWMGDVWQOQXPGP-HXUWFJFHSA-N 2 0 365.481 3.486 20 0 FGADRP Cc1cccc(C[C@@H]([NH2+]Cc2ccnc(OCC[NH+](C)C)c2)C2CC2)c1 ZINC000536832701 503736446 /nfs/dbraw/zinc/73/64/46/503736446.db2.gz MPHXXXGQTPRRHQ-OAQYLSRUSA-N 2 0 353.510 3.441 20 0 FGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H](c2ccc(F)cc2)c2cccnc2)CC1 ZINC000543403217 503756724 /nfs/dbraw/zinc/75/67/24/503756724.db2.gz QVIQQZSVSZSQIP-GCJKJVERSA-N 2 0 370.516 3.173 20 0 FGADRP C[C@H]([NH2+]CCc1ccc(OCC[NH+]2C[C@H](C)[C@@H](C)C2)cc1)c1nccn1C ZINC000540394219 503757086 /nfs/dbraw/zinc/75/70/86/503757086.db2.gz JMUGMLJJFUJQQX-FHWLQOOXSA-N 2 0 370.541 3.280 20 0 FGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H](c2ccc(F)cc2)c2ccccn2)CC1 ZINC000543405521 503757708 /nfs/dbraw/zinc/75/77/08/503757708.db2.gz ZBRGZYOBRFWBDU-GCJKJVERSA-N 2 0 370.516 3.173 20 0 FGADRP Cc1ccccc1[C@@H](CN1CCOCC1)[NH2+]CCCC[N@H+]1CCC[C@@H](C)C1 ZINC000543406857 503757940 /nfs/dbraw/zinc/75/79/40/503757940.db2.gz MYHKBYGWNFSDJE-NFBKMPQASA-N 2 0 373.585 3.470 20 0 FGADRP CC[NH+]1CCC(CC[NH2+]C[C@@H](O)COc2ccc3ccccc3c2)CC1 ZINC000517556378 503770275 /nfs/dbraw/zinc/77/02/75/503770275.db2.gz JUONHNDQNYKSDZ-OAQYLSRUSA-N 2 0 356.510 3.291 20 0 FGADRP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC[C@@H](c2ccsc2)[NH+](C)C)C1 ZINC000517589955 503780055 /nfs/dbraw/zinc/78/00/55/503780055.db2.gz XESIMMARDGEAOW-RDJZCZTQSA-N 2 0 366.575 3.161 20 0 FGADRP O=C(NC[C@H]1CC[N@@H+]1C1CCCC1)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000530024185 503797980 /nfs/dbraw/zinc/79/79/80/503797980.db2.gz KVFRDBBOIYTCLD-PZJWPPBQSA-N 2 0 355.526 3.032 20 0 FGADRP Cc1ccccc1OCCC[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000543524698 503801738 /nfs/dbraw/zinc/80/17/38/503801738.db2.gz NZMHQPDFYQXYPS-UHFFFAOYSA-N 2 0 359.558 3.113 20 0 FGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]Cc2ccnc(OC)c2)CC1 ZINC000537108236 503804676 /nfs/dbraw/zinc/80/46/76/503804676.db2.gz KEXRBVGXJVPMCI-MRXNPFEDSA-N 2 0 372.488 3.222 20 0 FGADRP CCC[C@@H]1CN(C(=O)N[C@@H]2CC[NH+](C)[C@@H](C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000540573279 503821682 /nfs/dbraw/zinc/82/16/82/503821682.db2.gz VUSULWKASODIKQ-CEWLAPEOSA-N 2 0 372.557 3.165 20 0 FGADRP CC(C)[C@@H](C(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1)[NH+]1CCCCC1 ZINC000517812463 503843911 /nfs/dbraw/zinc/84/39/11/503843911.db2.gz XRWRZCVCVDELNE-SFTDATJTSA-N 2 0 363.590 3.467 20 0 FGADRP C[C@@H]1C[NH+](CCOc2ccc(CC[NH2+]C[C@@H]3CCCOC3)cc2)C[C@H]1C ZINC000540653704 503846295 /nfs/dbraw/zinc/84/62/95/503846295.db2.gz RKLGTRJKWPLTAL-SBHAEUEKSA-N 2 0 360.542 3.212 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)CCN(C)c2cc[nH+]cc2)C1 ZINC000543715227 503864399 /nfs/dbraw/zinc/86/43/99/503864399.db2.gz LKFYUNSDFWDUDI-RTBURBONSA-N 2 0 358.530 3.021 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)N2CCC[C@@H]2C[NH+]2CCCC2)C1 ZINC000517916865 503867282 /nfs/dbraw/zinc/86/72/82/503867282.db2.gz MXVNEXRVTHZNPW-HSALFYBXSA-N 2 0 364.578 3.014 20 0 FGADRP C[NH+]1CCN(c2cc(C[NH2+]Cc3ccsc3C(F)(F)F)ccn2)CC1 ZINC000527638541 503870342 /nfs/dbraw/zinc/87/03/42/503870342.db2.gz KOFQEGANPZRSRC-UHFFFAOYSA-N 2 0 370.444 3.204 20 0 FGADRP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(I)cc2)[C@H](C)C1 ZINC000533532609 503877373 /nfs/dbraw/zinc/87/73/73/503877373.db2.gz OLOLUMAXBQMGBN-CJNGLKHVSA-N 2 0 372.294 3.453 20 0 FGADRP COc1cccc([C@H](C[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)OC)c1 ZINC000530213114 503879728 /nfs/dbraw/zinc/87/97/28/503879728.db2.gz VCMQRKMQZIRMKB-HJNYFJLDSA-N 2 0 368.477 3.228 20 0 FGADRP O=C(C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1)Nc1ccc(Cl)c(F)c1 ZINC000530222034 503881943 /nfs/dbraw/zinc/88/19/43/503881943.db2.gz QRNSRQQLPVVEML-KGLIPLIRSA-N 2 0 353.869 3.129 20 0 FGADRP Fc1cccc(Cl)c1CN1CCC([NH2+][C@@H]2CC[NH2+]C23CCC3)CC1 ZINC000530221282 503882602 /nfs/dbraw/zinc/88/26/02/503882602.db2.gz PHHWCFYPTPHDLP-GOSISDBHSA-N 2 0 351.897 3.318 20 0 FGADRP CC[NH+](CC)Cc1cccc(CNC(=O)NC[C@H]2CC[N@@H+]2C2CCCC2)c1 ZINC000527667942 503885094 /nfs/dbraw/zinc/88/50/94/503885094.db2.gz WQTBNILXIWWABJ-OAQYLSRUSA-N 2 0 372.557 3.345 20 0 FGADRP Cc1ccc(C(C)(C)[NH2+]CCOCC[NH2+]C(C)(C)c2ccc(C)nc2)cn1 ZINC000546810266 503886455 /nfs/dbraw/zinc/88/64/55/503886455.db2.gz XGLTWLFHJWLTKI-UHFFFAOYSA-N 2 0 370.541 3.460 20 0 FGADRP Clc1cccc(OCCC[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)c1 ZINC000530239631 503889417 /nfs/dbraw/zinc/88/94/17/503889417.db2.gz HEFHLKFVANHJSH-LJQANCHMSA-N 2 0 352.906 3.199 20 0 FGADRP Cn1cc(C[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)c(C2CCCCC2)n1 ZINC000530248804 503894402 /nfs/dbraw/zinc/89/44/02/503894402.db2.gz PHUXXILXLFXKCP-HXUWFJFHSA-N 2 0 360.546 3.058 20 0 FGADRP c1cncc(-c2cccc(C[NH+]3CCC(CO[C@@H]4CC[NH2+]C4)CC3)c2)c1 ZINC000530248527 503894570 /nfs/dbraw/zinc/89/45/70/503894570.db2.gz LSGHSDVJMQUACM-JOCHJYFZSA-N 2 0 351.494 3.339 20 0 FGADRP CC[NH+](CC)CCCC1CCN(C(=O)N[C@@H](C)C[NH+]2CCCCC2)CC1 ZINC000543946642 503947944 /nfs/dbraw/zinc/94/79/44/503947944.db2.gz NDRRQDXMLIOWGN-IBGZPJMESA-N 2 0 366.594 3.404 20 0 FGADRP Clc1ccc(-c2noc(CC[N@@H+]3CCCC[C@H]3[C@H]3CC[NH2+]C3)n2)cc1 ZINC000518349055 503958419 /nfs/dbraw/zinc/95/84/19/503958419.db2.gz PAXRYJNWZJEAKQ-RDJZCZTQSA-N 2 0 360.889 3.397 20 0 FGADRP C[NH+](C)[C@@H](CNC(=O)c1ccc(Nc2cc[nH+]cc2)cc1)Cc1ccccc1 ZINC000533813827 503959431 /nfs/dbraw/zinc/95/94/31/503959431.db2.gz DLPNWZJQJPPMBV-JOCHJYFZSA-N 2 0 374.488 3.150 20 0 FGADRP c1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH2+]CCOC[C@H]4CCCO4)[C@@H]3C2)cc1 ZINC000540976266 503961319 /nfs/dbraw/zinc/96/13/19/503961319.db2.gz HFHBWMCCZUWKJE-CBPXPLCBSA-N 2 0 358.526 3.072 20 0 FGADRP CC[N@H+](C)[C@@H](C(=O)NC[C@@H](C)[NH+](C)Cc1ccccc1)c1ccccc1 ZINC000518438134 503983835 /nfs/dbraw/zinc/98/38/35/503983835.db2.gz MIUVVHNKIMBMAG-WIYYLYMNSA-N 2 0 353.510 3.316 20 0 FGADRP CC(C)[NH+](CCCNC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1)C(C)C ZINC000533913241 503987495 /nfs/dbraw/zinc/98/74/95/503987495.db2.gz OEDDBIOVDNVPBP-VQTJNVASSA-N 2 0 360.546 3.240 20 0 FGADRP CC(C)[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCCCN2Cc2ccc(F)cc2)C1 ZINC000530623924 504030252 /nfs/dbraw/zinc/03/02/52/504030252.db2.gz XYEMPYJLJQCKMD-AZUAARDMSA-N 2 0 361.505 3.027 20 0 FGADRP C[C@H]([NH2+]C[C@H]1c2ccccc2C(=O)N1C)c1ccc(OCC[NH+](C)C)cc1 ZINC000528002315 504034636 /nfs/dbraw/zinc/03/46/36/504034636.db2.gz IJRPQVWWGGPNMJ-KKSFZXQISA-N 2 0 367.493 3.105 20 0 FGADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@H](C)[C@@H]1OCCc2sccc21 ZINC000518748256 504053762 /nfs/dbraw/zinc/05/37/62/504053762.db2.gz LSCOAWQKTDQWHU-KUHUBIRLSA-N 2 0 354.479 3.429 20 0 FGADRP C[C@@H](CCNC(=O)N(C)CCC[NH+]1CCCC1)[N@H+](C)Cc1ccccc1 ZINC000541240050 504056110 /nfs/dbraw/zinc/05/61/10/504056110.db2.gz UVNYPFCOYDRXID-IBGZPJMESA-N 2 0 360.546 3.024 20 0 FGADRP COc1cccc([C@H](CNC(=O)c2ccc([C@@H](C)[NH3+])cc2)[NH+]2CCCC2)c1 ZINC000518763228 504056750 /nfs/dbraw/zinc/05/67/50/504056750.db2.gz WZTTZKFTZAIKKU-IERDGZPVSA-N 2 0 367.493 3.282 20 0 FGADRP CC(C)[N@@H+]1CC[C@H](CNC(=O)N2CC[C@@H](C)[NH+](Cc3ccccc3)CC2)C1 ZINC000530769845 504081991 /nfs/dbraw/zinc/08/19/91/504081991.db2.gz WGGWNXCFNZNIAT-TZIWHRDSSA-N 2 0 372.557 3.023 20 0 FGADRP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)NC[C@H]2CC[NH+]2C2CCCCC2)C1 ZINC000528146438 504091113 /nfs/dbraw/zinc/09/11/13/504091113.db2.gz ACVZEHILZHBQMI-AZUAARDMSA-N 2 0 364.578 3.061 20 0 FGADRP COc1ccccc1[C@H](CO)[NH2+][C@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000537982091 504102014 /nfs/dbraw/zinc/10/20/14/504102014.db2.gz JXOAFEYXHACWAG-UZLBHIALSA-N 2 0 358.482 3.020 20 0 FGADRP C[C@H]1C[C@H](CC[NH2+]Cc2c(Cl)cccc2N2CC[NH+](C)CC2)CCO1 ZINC000541369665 504105770 /nfs/dbraw/zinc/10/57/70/504105770.db2.gz NIVVMXHTYBDUID-DLBZAZTESA-N 2 0 365.949 3.387 20 0 FGADRP CC[NH+](CC)CCN(Cc1ccccc1)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000519017927 504119708 /nfs/dbraw/zinc/11/97/08/504119708.db2.gz XQBCITJSSOYYEO-LEWJYISDSA-N 2 0 372.557 3.167 20 0 FGADRP CC(C)[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@H]2O)CC1)c1ccc2[nH]c(=O)oc2c1 ZINC000538115012 504135734 /nfs/dbraw/zinc/13/57/34/504135734.db2.gz WYYQNFPMUDAWHW-NSHGMRRFSA-N 2 0 373.497 3.198 20 0 FGADRP O=C(NC[C@@H]1CC[N@@H+]1C1CCCC1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000528284342 504146769 /nfs/dbraw/zinc/14/67/69/504146769.db2.gz AYZBRZHMUFSQCV-FQEVSTJZSA-N 2 0 362.562 3.100 20 0 FGADRP CCC[NH+]1CCN(c2ccccc2C[NH2+]Cc2ccc(CO)c(F)c2)CC1 ZINC000534506161 504158374 /nfs/dbraw/zinc/15/83/74/504158374.db2.gz KNFUZOVXQWDMCZ-UHFFFAOYSA-N 2 0 371.500 3.140 20 0 FGADRP CC(C)[C@@H](CNC(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)[NH+]1CCCC1 ZINC000519178077 504159333 /nfs/dbraw/zinc/15/93/33/504159333.db2.gz ZBJPBWGIZONVOO-NHCUHLMSSA-N 2 0 372.557 3.071 20 0 FGADRP C[C@@H]([NH2+]CCc1ccc(OCC[N@@H+]2C[C@H](C)[C@H](C)C2)cc1)[C@@H]1CCOC1 ZINC000538198251 504159298 /nfs/dbraw/zinc/15/92/98/504159298.db2.gz VVLFXHVFVJGOQE-RCLSDMTESA-N 2 0 360.542 3.210 20 0 FGADRP COC(=O)c1cc2c(o1)c(OC)ccc2C[NH2+]CCC[NH+]1CCCCC1 ZINC000531141980 504204109 /nfs/dbraw/zinc/20/41/09/504204109.db2.gz PHGWPAIDJVLYMY-UHFFFAOYSA-N 2 0 360.454 3.194 20 0 FGADRP C[NH+](C)Cc1cccc(CNC(=O)c2ccc(C[NH+]3CCCC3)cc2)c1 ZINC000547754646 504212852 /nfs/dbraw/zinc/21/28/52/504212852.db2.gz PROPJSIJFAVLPB-UHFFFAOYSA-N 2 0 351.494 3.274 20 0 FGADRP CC[N@H+](CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)Cc1ccc(C)cc1 ZINC000547786469 504225215 /nfs/dbraw/zinc/22/52/15/504225215.db2.gz UGUUUTXTQRTVPF-NRFANRHFSA-N 2 0 353.510 3.236 20 0 FGADRP c1ccc([C@H]([NH2+]CC2CCN(c3cc[nH+]cc3)CC2)c2cncnc2)cc1 ZINC000541735015 504237888 /nfs/dbraw/zinc/23/78/88/504237888.db2.gz QVEVFPZZOJXSFP-QFIPXVFZSA-N 2 0 359.477 3.467 20 0 FGADRP C[NH+](C)CCOc1ccc(CC[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)cc1 ZINC000534798932 504244400 /nfs/dbraw/zinc/24/44/00/504244400.db2.gz XKYIRLZBWDNZIR-HBMCJLEFSA-N 2 0 358.526 3.107 20 0 FGADRP C[C@@H]1C[C@H](N(C)C(=O)NC[C@@H](c2ccc(Cl)cc2)[NH+](C)C)CC[N@@H+]1C ZINC000531318514 504264462 /nfs/dbraw/zinc/26/44/62/504264462.db2.gz TZBKLOUWIAXIIW-OLMNPRSZSA-N 2 0 366.937 3.067 20 0 FGADRP Cc1cc(NC(=O)NC[C@@H]2CCC[N@H+](C)C2)cnc1N1CCCC[C@H]1C ZINC000541878197 504286450 /nfs/dbraw/zinc/28/64/50/504286450.db2.gz ZYGZONUPIKSRBR-SJORKVTESA-N 2 0 359.518 3.232 20 0 FGADRP CCC[NH+]1CCC([NH2+]Cc2ccc(OC)c3oc(C(=O)OC)cc32)CC1 ZINC000531380326 504287585 /nfs/dbraw/zinc/28/75/85/504287585.db2.gz FUTORFQCMJVRIS-UHFFFAOYSA-N 2 0 360.454 3.192 20 0 FGADRP CCC(C)(C)NC(=O)C[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000534967669 504296489 /nfs/dbraw/zinc/29/64/89/504296489.db2.gz IKYIHIHYFQDHNA-UHFFFAOYSA-N 2 0 357.542 3.279 20 0 FGADRP O=C(CC[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1)NC1CCCC1 ZINC000534966786 504297007 /nfs/dbraw/zinc/29/70/07/504297007.db2.gz GEJMIPQWTPGZGG-UHFFFAOYSA-N 2 0 369.553 3.423 20 0 FGADRP Cc1cccn2cc(CC(=O)NC(C)(C)CC[NH+]3CCCCCC3)nc12 ZINC000548153960 504349731 /nfs/dbraw/zinc/34/97/31/504349731.db2.gz SCSWCGSWUJZGOX-UHFFFAOYSA-N 2 0 356.514 3.346 20 0 FGADRP COC(=O)c1cc2c(o1)c(OC)ccc2C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000538796616 504374384 /nfs/dbraw/zinc/37/43/84/504374384.db2.gz MSBOVRMYLIWPMF-WBVHZDCISA-N 2 0 372.465 3.144 20 0 FGADRP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000519920161 504383413 /nfs/dbraw/zinc/38/34/13/504383413.db2.gz QGJOQRUDIZBIJL-XAPVIXHLSA-N 2 0 371.569 3.381 20 0 FGADRP CN(CCC[NH+]1CCCC1)C(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000542169558 504390333 /nfs/dbraw/zinc/39/03/33/504390333.db2.gz SSJKHPOESRGOBL-GOSISDBHSA-N 2 0 366.937 3.070 20 0 FGADRP C[NH+]1CCN(c2cc(C[NH2+][C@H](CC3CC3)c3ccccc3)ccn2)CC1 ZINC000531682381 504392679 /nfs/dbraw/zinc/39/26/79/504392679.db2.gz PKFPSZKQGBJAJF-OAQYLSRUSA-N 2 0 350.510 3.464 20 0 FGADRP C[NH+](C)C1(CNCc2c(Cl)cccc2N2CC[NH+](C)CC2)CCCC1 ZINC000538850456 504392762 /nfs/dbraw/zinc/39/27/62/504392762.db2.gz HSGNTKMVHJBHBH-UHFFFAOYSA-N 2 0 364.965 3.056 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)N1CCC[NH+](C(C)(C)C)CC1 ZINC000545204703 504395317 /nfs/dbraw/zinc/39/53/17/504395317.db2.gz DQWCMVONBHMIGE-QUCCMNQESA-N 2 0 372.557 3.023 20 0 FGADRP C[N@@H+]1CC[C@@H](NC(=O)c2ccc(Nc3cc[nH+]cc3)cc2)[C@@H]1c1ccccc1 ZINC000535469439 504443621 /nfs/dbraw/zinc/44/36/21/504443621.db2.gz ONCBNIXGXAZGDX-YADHBBJMSA-N 2 0 372.472 3.422 20 0 FGADRP CC[NH+]1CCC(CNC(=O)N2CC[C@@H](C)[N@H+](Cc3ccccc3)CC2)CC1 ZINC000520301695 504459159 /nfs/dbraw/zinc/45/91/59/504459159.db2.gz QURNICZUOXWTSS-LJQANCHMSA-N 2 0 372.557 3.024 20 0 FGADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@H](CO)Cc1ccc(C(F)(F)F)cc1 ZINC000539057778 504460089 /nfs/dbraw/zinc/46/00/89/504460089.db2.gz DCAWLJADMYTXBS-SZXPJGKVSA-N 2 0 358.448 3.175 20 0 FGADRP Cc1nn(C)c(C)c1CCC[NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000548481924 504461759 /nfs/dbraw/zinc/46/17/59/504461759.db2.gz SUUCIGFAXAWCHJ-DYESRHJHSA-N 2 0 354.542 3.470 20 0 FGADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC[C@H]2CCCC[NH+]2CC)C1 ZINC000520379710 504484065 /nfs/dbraw/zinc/48/40/65/504484065.db2.gz LJODTQOCJVYMDW-QZTJIDSGSA-N 2 0 352.567 3.061 20 0 FGADRP CCC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)NCC1(C)CC[NH+](C)CC1 ZINC000528991608 504485447 /nfs/dbraw/zinc/48/54/47/504485447.db2.gz RSKMZFNZUDVYEE-NHCUHLMSSA-N 2 0 371.569 3.383 20 0 FGADRP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)N1CC[NH+](CCC(C)(C)C)CC1 ZINC000520406024 504490995 /nfs/dbraw/zinc/49/09/95/504490995.db2.gz SJCVEYBEVBLQBC-IBGZPJMESA-N 2 0 366.594 3.404 20 0 FGADRP C[C@@H](CCNC(=O)[C@@H]1CCCN1Cc1ccc(F)cc1)[NH+]1CCCCC1 ZINC000542454712 504494890 /nfs/dbraw/zinc/49/48/90/504494890.db2.gz MWJLLOKPZZFAPZ-PXNSSMCTSA-N 2 0 361.505 3.171 20 0 FGADRP Cc1nc(CN2CCC(C[NH2+]Cc3ccc4c(n3)CCC4)CC2)oc1C ZINC000520527544 504520510 /nfs/dbraw/zinc/52/05/10/504520510.db2.gz BKAOHLCXOQWMFH-UHFFFAOYSA-N 2 0 354.498 3.177 20 0 FGADRP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+][C@H]1CCCOc2cc(Cl)ccc21 ZINC000539320804 504528957 /nfs/dbraw/zinc/52/89/57/504528957.db2.gz YSUJJGLMWTWNIB-WMZOPIPTSA-N 2 0 352.906 3.380 20 0 FGADRP CN1CC[NH+](CC2(C)CC[NH+](CCSc3ccccc3F)CC2)CC1 ZINC000542591001 504548593 /nfs/dbraw/zinc/54/85/93/504548593.db2.gz DMEWJOMPKBSIOM-UHFFFAOYSA-N 2 0 365.562 3.267 20 0 FGADRP CCC[NH+]1CCN(c2ccccc2C[N@@H+]2CCC[C@@H]([C@@H]3CCOC3)C2)CC1 ZINC000535806502 504550692 /nfs/dbraw/zinc/55/06/92/504550692.db2.gz ZFNVYJWRSMYMHQ-IFMALSPDSA-N 2 0 371.569 3.467 20 0 FGADRP C[C@H]([NH2+]CCCC[NH+]1CCN(C)CC1)c1cc(Br)ccc1F ZINC000532195535 504570002 /nfs/dbraw/zinc/57/00/02/504570002.db2.gz RBZQCZJQVKMMIW-AWEZNQCLSA-N 2 0 372.326 3.266 20 0 FGADRP CN1CC[NH+](CC2(C)CC[NH+](Cc3ccccc3OCC3CC3)CC2)CC1 ZINC000542691942 504577531 /nfs/dbraw/zinc/57/75/31/504577531.db2.gz YOEVIGXDIUQFFH-UHFFFAOYSA-N 2 0 371.569 3.325 20 0 FGADRP C[N@H+]1CC=C(CNC(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)CC1 ZINC000539486261 504586375 /nfs/dbraw/zinc/58/63/75/504586375.db2.gz MBCIHAFVHGODHJ-UHFFFAOYSA-N 2 0 370.541 3.124 20 0 FGADRP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000542758361 504598263 /nfs/dbraw/zinc/59/82/63/504598263.db2.gz ARLUIDINUROGPE-SCTDSRPQSA-N 2 0 364.578 3.011 20 0 FGADRP O=C(NCc1cccc(C[NH+]2CCCCCC2)c1)N[C@@H]1CC[NH2+]C12CCC2 ZINC000529296746 504624403 /nfs/dbraw/zinc/62/44/03/504624403.db2.gz APJNDSPEXMLFOW-HXUWFJFHSA-N 2 0 370.541 3.146 20 0 FGADRP CC[N@H+](CCC1CCN(C(=O)N[C@@H]2CC[NH2+]C23CCC3)CC1)CC(C)C ZINC000529358444 504644004 /nfs/dbraw/zinc/64/40/04/504644004.db2.gz SRNWBRYCPHKVBN-LJQANCHMSA-N 2 0 364.578 3.061 20 0 FGADRP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@H]1CCC[NH+]1Cc1ccccc1 ZINC000521139643 504659209 /nfs/dbraw/zinc/65/92/09/504659209.db2.gz HZTXNLUZSXPVQV-RCLSDMTESA-N 2 0 357.542 3.134 20 0 FGADRP Cc1ccncc1N1CCN(Cc2ccc(Oc3cnccn3)cc2)CC1 ZINC000545984974 504666043 /nfs/dbraw/zinc/66/60/43/504666043.db2.gz CGABILAJIXEJRA-UHFFFAOYSA-N 2 0 361.449 3.295 20 0 FGADRP Cc1ccc2[nH]c(C[N@H+]3CC[C@H](N4CC[NH+](C(C)C)CC4)C3)cc2c1C ZINC000546035173 504682730 /nfs/dbraw/zinc/68/27/30/504682730.db2.gz SZZMCNLRUHJTNF-FQEVSTJZSA-N 2 0 354.542 3.385 20 0 FGADRP CCC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)NCC[C@@H]1CCC[NH+](C)C1 ZINC000529482768 504692962 /nfs/dbraw/zinc/69/29/62/504692962.db2.gz OGVZCPZSHLUIKD-BHDDXSALSA-N 2 0 371.569 3.383 20 0 FGADRP CC(C)COc1ccc(C[N@@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)cc1 ZINC000539824822 504704393 /nfs/dbraw/zinc/70/43/93/504704393.db2.gz LAFVNNYHENKOPS-OAQYLSRUSA-N 2 0 359.558 3.322 20 0 FGADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2c[nH]nc2-c2ccccc2F)C1 ZINC000539851600 504717657 /nfs/dbraw/zinc/71/76/57/504717657.db2.gz VNBUZSJATWWNMS-KRWDZBQOSA-N 2 0 360.477 3.149 20 0 FGADRP C[C@H]([NH2+]C[C@]1(O)CCN(Cc2ccccc2)C1)[C@@H]1C[C@H]1c1ccccc1 ZINC000549236039 504733691 /nfs/dbraw/zinc/73/36/91/504733691.db2.gz VFRHGIXKXWNWPT-FDTGPBLFSA-N 2 0 350.506 3.405 20 0 FGADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]C[C@@H]2CCC3(CCOCC3)[C@@H]2O)CC1 ZINC000549235179 504733949 /nfs/dbraw/zinc/73/39/49/504733949.db2.gz IFMWJOLBWIYELF-YXYSEUPNSA-N 2 0 364.574 3.187 20 0 FGADRP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH+](CC2CC2)CC2CC2)CC1 ZINC000532710344 504741391 /nfs/dbraw/zinc/74/13/91/504741391.db2.gz DUUUIVLADRJFKT-UHFFFAOYSA-N 2 0 369.553 3.151 20 0 FGADRP Cc1ccc([C@@H](CNC(=O)N2CCC(C[N@@H+](C)C(C)C)CC2)[NH+](C)C)cc1 ZINC000521509654 504750063 /nfs/dbraw/zinc/75/00/63/504750063.db2.gz SFKMXDUCFWCVRC-OAQYLSRUSA-N 2 0 374.573 3.360 20 0 FGADRP c1cnc(N2CC[NH+](CCCC[NH2+][C@@H]3CCCC34CCCC4)CC2)nc1 ZINC000556077509 504791378 /nfs/dbraw/zinc/79/13/78/504791378.db2.gz ZNEVXZPRUJOANQ-LJQANCHMSA-N 2 0 357.546 3.081 20 0 FGADRP CCc1oc(C[NH2+]CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)cc1C(=O)OC ZINC000549403721 504811688 /nfs/dbraw/zinc/81/16/88/504811688.db2.gz NLBPNSDHNZKXJR-IYBDPMFKSA-N 2 0 350.503 3.476 20 0 FGADRP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC000553043601 504812972 /nfs/dbraw/zinc/81/29/72/504812972.db2.gz XDJVVQXHXDMDQH-QZTJIDSGSA-N 2 0 359.558 3.277 20 0 FGADRP COc1ccc(C[NH+]2CCC(C[NH2+][C@H](C)c3cncnc3C)CC2)cc1 ZINC000565218465 504828218 /nfs/dbraw/zinc/82/82/18/504828218.db2.gz QYWMGAIVBCPVAR-MRXNPFEDSA-N 2 0 354.498 3.356 20 0 FGADRP [NH3+][C@H]1CCC[C@@H]([NH2+]C2CCN(Cc3cccc(Br)c3)CC2)C1 ZINC000565227212 504830874 /nfs/dbraw/zinc/83/08/74/504830874.db2.gz WIUCXXUPBOKLBI-FUHWJXTLSA-N 2 0 366.347 3.273 20 0 FGADRP CC[C@H](C)[C@H]([NH2+]Cc1cncn1C)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000556326010 504845707 /nfs/dbraw/zinc/84/57/07/504845707.db2.gz BJZFWHVSWWFDKN-JXFKEZNVSA-N 2 0 369.513 3.163 20 0 FGADRP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2cccc(I)c2)C1 ZINC000556387851 504861514 /nfs/dbraw/zinc/86/15/14/504861514.db2.gz VQGHWWZZWPRIAP-AWEZNQCLSA-N 2 0 358.267 3.113 20 0 FGADRP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000553328960 504885348 /nfs/dbraw/zinc/88/53/48/504885348.db2.gz PFYDYGBOSIQVPJ-KCZVDYSFSA-N 2 0 371.569 3.383 20 0 FGADRP [NH3+]CCc1ccccc1C(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000565606018 504936102 /nfs/dbraw/zinc/93/61/02/504936102.db2.gz CBOAOICQAZLTAN-HXUWFJFHSA-N 2 0 371.912 3.408 20 0 FGADRP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000562818918 504956206 /nfs/dbraw/zinc/95/62/06/504956206.db2.gz TYRPIBSVNGOISH-CEWLAPEOSA-N 2 0 372.557 3.200 20 0 FGADRP Cc1ccc(NC(=O)CC[NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)nc1 ZINC000559964461 504959736 /nfs/dbraw/zinc/95/97/36/504959736.db2.gz AWWXCGXAJHHJSK-UHFFFAOYSA-N 2 0 366.509 3.494 20 0 FGADRP Clc1ccc([C@@H]2OCC[C@@H]2[NH2+]Cc2cc(C3CC[NH2+]CC3)no2)cc1 ZINC000562970135 505004219 /nfs/dbraw/zinc/00/42/19/505004219.db2.gz WHQRAMBHUDEPAG-HKUYNNGSSA-N 2 0 361.873 3.415 20 0 FGADRP O=C(Nc1ccc2c(c1F)CC[NH2+]C2)[C@@H]1C[NH2+]C[C@H]1c1ccc(Cl)cc1 ZINC000565899731 505021298 /nfs/dbraw/zinc/02/12/98/505021298.db2.gz BBYDIBWDTQAHIU-DLBZAZTESA-N 2 0 373.859 3.067 20 0 FGADRP C[C@@H](CC(=O)N1CCC[N@H+](CCCc2ccccc2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000563046634 505032545 /nfs/dbraw/zinc/03/25/45/505032545.db2.gz CDBJQLSIYQJFCF-RBBKRZOGSA-N 2 0 371.569 3.179 20 0 FGADRP O[C@H](C[NH2+]Cc1cccc(C[NH+]2CCCC2)c1)COCc1ccccc1F ZINC000566106726 505083457 /nfs/dbraw/zinc/08/34/57/505083457.db2.gz XYCASOYYXPYJIR-OAQYLSRUSA-N 2 0 372.484 3.089 20 0 FGADRP Cc1nn(-c2ccc(Br)cc2)cc1CN1CC[C@H]([NH3+])C[C@H]1C ZINC000563350826 505116901 /nfs/dbraw/zinc/11/69/01/505116901.db2.gz ROUIMHZNEHTAGT-WBMJQRKESA-N 2 0 363.303 3.255 20 0 FGADRP Cc1nn(-c2ccc(Br)cc2)cc1CN1CC[C@@H]([NH3+])C[C@H]1C ZINC000563350823 505117492 /nfs/dbraw/zinc/11/74/92/505117492.db2.gz ROUIMHZNEHTAGT-MLGOLLRUSA-N 2 0 363.303 3.255 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N1CC[C@@H]([NH+]2CCCC2)[C@H]1C)c1ccccc1 ZINC000554218417 505118834 /nfs/dbraw/zinc/11/88/34/505118834.db2.gz OJRKPQPLLPRBJW-HMXCVIKNSA-N 2 0 372.557 3.338 20 0 FGADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1ccc(Br)c(Br)c1 ZINC000566230188 505119327 /nfs/dbraw/zinc/11/93/27/505119327.db2.gz PSETYADXVLSGDC-BDAKNGLRSA-N 2 0 350.098 3.427 20 0 FGADRP C[C@H](c1ccc(Cl)cc1)N(C)C(=O)C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000566245356 505122757 /nfs/dbraw/zinc/12/27/57/505122757.db2.gz OEWBROHIMHHFCK-NJAFHUGGSA-N 2 0 363.933 3.181 20 0 FGADRP Cn1ccc(CC[NH2+][C@@H]2CCCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC000560549826 505122716 /nfs/dbraw/zinc/12/27/16/505122716.db2.gz ZIGDSWIECDCELN-BAGYTPMASA-N 2 0 352.526 3.243 20 0 FGADRP CC[C@H]([NH2+][C@@H](CC(C)C)C(=O)NCC[NH+](C)C)c1cc(F)ccc1F ZINC000554264386 505129296 /nfs/dbraw/zinc/12/92/96/505129296.db2.gz LEHPTEGETQNBSF-ROUUACIJSA-N 2 0 355.473 3.098 20 0 FGADRP O=C(Nc1ccc(CC[NH+]2CCCCC2)cc1)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000563452732 505144502 /nfs/dbraw/zinc/14/45/02/505144502.db2.gz CGGLZMDMPCWXAH-SFHLNBCPSA-N 2 0 370.541 3.225 20 0 FGADRP CCCC[C@@H]([NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1)c1ccc(OC)cc1 ZINC000557522180 505156026 /nfs/dbraw/zinc/15/60/26/505156026.db2.gz OOGBJHDDUKXJKG-OAQYLSRUSA-N 2 0 373.541 3.259 20 0 FGADRP CC(C)[NH2+]CCCNC(=O)NCc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000563597928 505187455 /nfs/dbraw/zinc/18/74/55/505187455.db2.gz VVMVCHCSRBPBJA-UHFFFAOYSA-N 2 0 360.546 3.106 20 0 FGADRP CC(C)CN(C(=O)CN1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1)C1CC1 ZINC000563658160 505203778 /nfs/dbraw/zinc/20/37/78/505203778.db2.gz UQMDPASJKRYTKP-SFTDATJTSA-N 2 0 369.553 3.087 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)NCC1CC[NH2+]CC1)c1ccccc1Cl ZINC000566609864 505221657 /nfs/dbraw/zinc/22/16/57/505221657.db2.gz VPTCTFMUKTXFPC-GOSISDBHSA-N 2 0 366.937 3.022 20 0 FGADRP CC1CC[NH+](CCc2cccc(NC(=O)NCC3CC[NH2+]CC3)c2)CC1 ZINC000561003696 505228203 /nfs/dbraw/zinc/22/82/03/505228203.db2.gz NKKVOMFADDLGIU-UHFFFAOYSA-N 2 0 358.530 3.082 20 0 FGADRP Cc1ccc2cc(C[NH2+]Cc3ccncc3OCC[NH+](C)C)ccc2n1 ZINC000566701334 505247659 /nfs/dbraw/zinc/24/76/59/505247659.db2.gz PGCMANLGGHSSJG-UHFFFAOYSA-N 2 0 350.466 3.168 20 0 FGADRP CN(C(=O)[C@H](Cc1ccccc1)[NH2+][C@H]1CCC[C@H]([NH3+])C1)c1ccccc1 ZINC000563821610 505249198 /nfs/dbraw/zinc/24/91/98/505249198.db2.gz VKMOMVBXONIEFK-ZJOUEHCJSA-N 2 0 351.494 3.120 20 0 FGADRP C[C@H]1CN(C(=O)NCc2ccccc2C[N@H+](C)C2CCCCC2)CC[C@@H]1[NH3+] ZINC000561131324 505258526 /nfs/dbraw/zinc/25/85/26/505258526.db2.gz BEWQAFFYNHJNQO-UWJYYQICSA-N 2 0 372.557 3.330 20 0 FGADRP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]Cc2cccc(I)c2)C1 ZINC000551592512 505263127 /nfs/dbraw/zinc/26/31/27/505263127.db2.gz QMUYLZOMIHVISV-HUUCEWRRSA-N 2 0 358.267 3.254 20 0 FGADRP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)NCc2ccccc2C[NH+]2CCCCCC2)C1 ZINC000561196947 505277829 /nfs/dbraw/zinc/27/78/29/505277829.db2.gz KENJAMGWYPNREL-AZUAARDMSA-N 2 0 372.557 3.331 20 0 FGADRP C[C@@H]1C[C@H]1[N@@H+]1CCN(C(=O)c2ccc(C[NH+]3CCCCC3)cc2)C[C@@H](C)C1 ZINC000558012326 505285571 /nfs/dbraw/zinc/28/55/71/505285571.db2.gz POFWCCPBWPXZQZ-NNMXDRDESA-N 2 0 369.553 3.475 20 0 FGADRP C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2C[NH2+]Cc3ccccc32)[C@@H]1c1cccs1 ZINC000563955556 505288096 /nfs/dbraw/zinc/28/80/96/505288096.db2.gz KURLHIJFSBSCJB-YVWKXTFCSA-N 2 0 369.534 3.134 20 0 FGADRP Cn1ccnc1[C@H](NC(=O)NCC[NH+]1CCC2(CCCCC2)CC1)C1CC1 ZINC000558050609 505296657 /nfs/dbraw/zinc/29/66/57/505296657.db2.gz MXWREFTVEJFDQN-GOSISDBHSA-N 2 0 373.545 3.217 20 0 FGADRP COC(=O)c1cc(C[NH2+][C@H]2[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]2C)cn1C ZINC000566941624 505317431 /nfs/dbraw/zinc/31/74/31/505317431.db2.gz NOAPDLXJXWLXOZ-LFUKPOHLSA-N 2 0 369.509 3.058 20 0 FGADRP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000561449843 505349557 /nfs/dbraw/zinc/34/95/57/505349557.db2.gz LDYHRHKLYWFYRR-GIVPXCGWSA-N 2 0 370.541 3.092 20 0 FGADRP C[NH+]1CCN(c2cc(C[NH2+]C3CC(c4cc(F)cc(F)c4)C3)ccn2)CC1 ZINC000564298363 505376327 /nfs/dbraw/zinc/37/63/27/505376327.db2.gz HKNJTKFBPOMSSZ-UHFFFAOYSA-N 2 0 372.463 3.147 20 0 FGADRP C[C@@H]([NH2+]Cc1ccnc(-n2cccn2)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000558403972 505378445 /nfs/dbraw/zinc/37/84/45/505378445.db2.gz UNUWUNFTHDOATE-WIYYLYMNSA-N 2 0 361.493 3.268 20 0 FGADRP C[C@@H]([NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc2c(c1)OCC(=O)N2 ZINC000552057267 505384789 /nfs/dbraw/zinc/38/47/89/505384789.db2.gz MJODSTSKHHJPOR-AEFFLSMTSA-N 2 0 365.477 3.190 20 0 FGADRP C[C@@H]1[C@@H](NC(=O)NCCC[NH2+]C2CCCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000561591151 505385463 /nfs/dbraw/zinc/38/54/63/505385463.db2.gz PWFDUTMMUKRAFM-NQIIRXRSSA-N 2 0 372.557 3.261 20 0 FGADRP CC(C)(C)c1ccc(C[NH2+]CC(=O)NCC[NH+]2CCCCCC2)s1 ZINC000552065342 505388194 /nfs/dbraw/zinc/38/81/94/505388194.db2.gz ROLDMFVKCYTREN-UHFFFAOYSA-N 2 0 351.560 3.127 20 0 FGADRP CCC[N@H+](C)[C@@H](CNC(=O)N[C@H](C)CC[NH+](C)C)c1ccc(Cl)cc1 ZINC000561637478 505396831 /nfs/dbraw/zinc/39/68/31/505396831.db2.gz FBYRPQQVOUZTOM-QAPCUYQASA-N 2 0 368.953 3.362 20 0 FGADRP Cc1ccc(NC(=O)NC[C@@H]2CCC[N@@H+](C[C@@H]3CC[NH2+][C@H](C)C3)C2)cc1 ZINC000567242391 505405648 /nfs/dbraw/zinc/40/56/48/505405648.db2.gz SXXRFTVFTBMWLU-QRVBRYPASA-N 2 0 358.530 3.217 20 0 FGADRP C[C@H](NC(=O)Nc1cccc2c1CC[NH2+]C2)[C@H](c1ccccc1)[NH+](C)C ZINC000567244476 505406840 /nfs/dbraw/zinc/40/68/40/505406840.db2.gz PKMYTMKKFNOIOH-MGPUTAFESA-N 2 0 352.482 3.145 20 0 FGADRP C[C@@H]1C[C@@H]1[N@@H+]1CCN(C(=O)c2oc3ccccc3c2C[NH+](C)C)C[C@@H](C)C1 ZINC000561760216 505428667 /nfs/dbraw/zinc/42/86/67/505428667.db2.gz APUODCFWEVSKLP-FCEWJHQRSA-N 2 0 369.509 3.297 20 0 FGADRP Cc1ccc(C[C@H]([NH2+]Cc2ccncc2OCC[NH+](C)C)C2CC2)cc1 ZINC000561781828 505436138 /nfs/dbraw/zinc/43/61/38/505436138.db2.gz IABKKKGSGOUFAY-NRFANRHFSA-N 2 0 353.510 3.441 20 0 FGADRP CC[C@@H]([NH2+]CCCN1CC[NH+](C)CC1)c1ccc(OC(F)(F)F)cc1 ZINC000552238770 505437335 /nfs/dbraw/zinc/43/73/35/505437335.db2.gz CCGJQQOIHQTEGL-QGZVFWFLSA-N 2 0 359.436 3.263 20 0 FGADRP [NH3+][C@@H]1CCC[C@@H](CNC(=O)NC[C@H]2CCCC[N@H+](Cc3ccccc3)C2)C1 ZINC000564644682 505481285 /nfs/dbraw/zinc/48/12/85/505481285.db2.gz VEOQTYCTHHNPLL-NJDAHSKKSA-N 2 0 372.557 3.105 20 0 FGADRP CN1CC[NH+](CC2CC[NH+]([C@H]3CC[C@@](C)(c4ccccc4)C3)CC2)CC1 ZINC000561976439 505483410 /nfs/dbraw/zinc/48/34/10/505483410.db2.gz FKAXGDNHVGNWPL-XZOQPEGZSA-N 2 0 355.570 3.456 20 0 FGADRP C[N@@H+]1CC[C@H]([NH2+]Cc2cccc(NC(=O)c3ccccn3)c2)[C@H]2CCC[C@H]21 ZINC000567532281 505490851 /nfs/dbraw/zinc/49/08/51/505490851.db2.gz RQSDHJFKDXVQJS-SVFBPWRDSA-N 2 0 364.493 3.296 20 0 FGADRP C[NH+](C)CCCCC(=O)Nc1ccc(NC(=O)CC[NH+]2CCCCC2)cc1 ZINC000552566071 505514744 /nfs/dbraw/zinc/51/47/44/505514744.db2.gz RFKOKWFFXDZKQD-UHFFFAOYSA-N 2 0 374.529 3.172 20 0 FGADRP c1cn(Cc2ccc(C[NH2+][C@@H]3C[C@]4(CC[NH2+]C4)Oc4ccccc43)cc2)cn1 ZINC000567642316 505522379 /nfs/dbraw/zinc/52/23/79/505522379.db2.gz GUTAMADXAYRNND-GGAORHGYSA-N 2 0 374.488 3.277 20 0 FGADRP C[N@@H+]1CCC[C@@H](CC[NH2+]C[C@H](O)COc2cc(Cl)ccc2Cl)C1 ZINC000564855220 505540439 /nfs/dbraw/zinc/54/04/39/505540439.db2.gz DPSROQBLNNOAHG-ZFWWWQNUSA-N 2 0 361.313 3.055 20 0 FGADRP CC[NH+](CC)C[C@@H](C)NC(=O)NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000562240397 505549660 /nfs/dbraw/zinc/54/96/60/505549660.db2.gz DEDNJFKWIZORMR-CTNGQTDRSA-N 2 0 374.573 3.318 20 0 FGADRP COc1cncc(/C=C\CC[NH+]2CCC(C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)c1 ZINC000564901058 505553979 /nfs/dbraw/zinc/55/39/79/505553979.db2.gz ZBZZHSVQBFCXFO-WDSNSIQLSA-N 2 0 373.541 3.315 20 0 FGADRP C[C@@H](NC(=O)NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1)[C@H]1CCC[NH2+]C1 ZINC000582774535 506413215 /nfs/dbraw/zinc/41/32/15/506413215.db2.gz OZVCTWYBVUYQJA-OPYAIIAOSA-N 2 0 372.557 3.106 20 0 FGADRP C[C@@H]([NH3+])c1ccc(C(=O)NCc2ccc(OCC[NH+]3CCCC3)cc2)cc1 ZINC000582782594 506418611 /nfs/dbraw/zinc/41/86/11/506418611.db2.gz DPNDZOGHEKKBEJ-QGZVFWFLSA-N 2 0 367.493 3.111 20 0 FGADRP CCC[NH+]1CCC([NH2+]Cc2cccc(-n3ccc(C(=O)OCC)n3)c2)CC1 ZINC000589206672 506485180 /nfs/dbraw/zinc/48/51/80/506485180.db2.gz IQGNGVSLUWDXRM-UHFFFAOYSA-N 2 0 370.497 3.013 20 0 FGADRP Fc1ccc([C@@H]2OCC[C@@H]2[NH2+]Cc2cc(C3CC[NH2+]CC3)no2)cc1F ZINC000582959139 506509853 /nfs/dbraw/zinc/50/98/53/506509853.db2.gz SRGGALBNCNKXRR-HKUYNNGSSA-N 2 0 363.408 3.040 20 0 FGADRP CCC(CC)[C@@H](CNC(=O)N[C@@H](C)C[NH+]1CCCCC1)[NH+]1CCCC1 ZINC000612338807 506534145 /nfs/dbraw/zinc/53/41/45/506534145.db2.gz NLPURXURKUSYFO-PKOBYXMFSA-N 2 0 352.567 3.061 20 0 FGADRP CCC(CC)[C@H](CNC(=O)N[C@@H](C)C[NH+]1CCCCC1)[NH+]1CCCC1 ZINC000612338801 506534733 /nfs/dbraw/zinc/53/47/33/506534733.db2.gz NLPURXURKUSYFO-HKUYNNGSSA-N 2 0 352.567 3.061 20 0 FGADRP CCOC(=O)C1([C@H](C)[NH2+]CC2(c3ccccc3F)CCC2)CC[NH2+]CC1 ZINC000593318545 506535545 /nfs/dbraw/zinc/53/55/45/506535545.db2.gz DCTLCTPFXLJIKR-INIZCTEOSA-N 2 0 362.489 3.158 20 0 FGADRP CCOC(=O)C1([C@@H](C)[NH2+]CC2(c3ccccc3F)CCC2)CC[NH2+]CC1 ZINC000593318546 506535880 /nfs/dbraw/zinc/53/58/80/506535880.db2.gz DCTLCTPFXLJIKR-MRXNPFEDSA-N 2 0 362.489 3.158 20 0 FGADRP c1nc2cc(C[NH2+]CCCC[NH+]3CCN(c4ccccc4)CC3)ccc2[nH]1 ZINC000589645073 506619900 /nfs/dbraw/zinc/61/99/00/506619900.db2.gz UFLNQRDAHWDZAD-UHFFFAOYSA-N 2 0 363.509 3.255 20 0 FGADRP CCCc1ccc(C[NH2+]Cc2cccc(C(=O)NCC[NH+](C)C)c2)cc1 ZINC000589650684 506621256 /nfs/dbraw/zinc/62/12/56/506621256.db2.gz UFQWZTWDQQDMKZ-UHFFFAOYSA-N 2 0 353.510 3.220 20 0 FGADRP CCN1CCc2nc(NC(=O)c3cc(C)ccc3-n3ccnc3)sc2C1 ZINC000603824743 506625995 /nfs/dbraw/zinc/62/59/95/506625995.db2.gz HRTGSLQFLGHXJQ-UHFFFAOYSA-N 2 0 367.478 3.268 20 0 FGADRP NC(=O)[C@H]1CC[C@H](C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)CC1 ZINC000583197694 506645127 /nfs/dbraw/zinc/64/51/27/506645127.db2.gz COBRWHNJIZWGIX-MSEOUXRUSA-N 2 0 369.553 3.311 20 0 FGADRP COC(=O)COc1c(C)cc(C[N@@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)cc1C ZINC000583230571 506662087 /nfs/dbraw/zinc/66/20/87/506662087.db2.gz AKVZESJCDJBAIC-HXUWFJFHSA-N 2 0 374.525 3.019 20 0 FGADRP CC[NH+]1CCC(CNC(=O)N2C[C@@H](C)[N@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000583255269 506679975 /nfs/dbraw/zinc/67/99/75/506679975.db2.gz TZQOQGVKRIDONK-RTBURBONSA-N 2 0 372.557 3.023 20 0 FGADRP O[C@@H](C[NH2+]Cc1ccccc1C[NH+]1CCCC1)COc1ccccc1Cl ZINC000583258893 506681078 /nfs/dbraw/zinc/68/10/78/506681078.db2.gz VJBSOYYLTWUJED-IBGZPJMESA-N 2 0 374.912 3.465 20 0 FGADRP CC[NH+](Cc1cccc(C[N@H+](CC)C[C@@H]2CCOC2)c1)C[C@@H]1CCOC1 ZINC000604052045 506698187 /nfs/dbraw/zinc/69/81/87/506698187.db2.gz DVICPEWTZNYMJT-VXKWHMMOSA-N 2 0 360.542 3.403 20 0 FGADRP CC(C)C[NH+]1CCN(C(=O)N[C@H](C[NH+]2CCCCC2)c2ccccc2)CC1 ZINC000604203850 506750267 /nfs/dbraw/zinc/75/02/67/506750267.db2.gz CNVDLHJGEHLQEZ-OAQYLSRUSA-N 2 0 372.557 3.197 20 0 FGADRP C[NH+]1CCC([C@H]2CCN(C(=O)[C@@H](C[NH+]3CCCC3)c3ccccc3)C2)CC1 ZINC000612999906 506858971 /nfs/dbraw/zinc/85/89/71/506858971.db2.gz UMTIBDYGSGOONC-VXKWHMMOSA-N 2 0 369.553 3.056 20 0 FGADRP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]C[C@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000583688612 506918344 /nfs/dbraw/zinc/91/83/44/506918344.db2.gz RSMZZQOQRDJDNB-MJBXVCDLSA-N 2 0 361.313 3.196 20 0 FGADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)C1 ZINC000604782091 506941647 /nfs/dbraw/zinc/94/16/47/506941647.db2.gz FPXVZMWLHQCZNY-YZGWKJHDSA-N 2 0 374.573 3.488 20 0 FGADRP CC[NH+](CC)CCOc1ccc(C(=O)NC[C@@H]2CCCC[N@@H+]2CC)cc1 ZINC000600449149 506958791 /nfs/dbraw/zinc/95/87/91/506958791.db2.gz MLJJVXSCYWZUEV-IBGZPJMESA-N 2 0 361.530 3.011 20 0 FGADRP CC(C)(C)OC(=O)C1CCC(O)(C[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)CC1 ZINC000600738955 507091943 /nfs/dbraw/zinc/09/19/43/507091943.db2.gz KWRYZHHHFXHYEP-UHFFFAOYSA-N 2 0 368.562 3.148 20 0 FGADRP CCCC[N@H+](C)CC1CCN(C(=O)[C@H](C)[NH+]2CCc3ccccc3C2)CC1 ZINC000605182368 507103748 /nfs/dbraw/zinc/10/37/48/507103748.db2.gz OCQLHVBBIIRLFY-IBGZPJMESA-N 2 0 371.569 3.404 20 0 FGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H](c1ccccc1OC)[NH+]1CCCCC1 ZINC000591097764 507113731 /nfs/dbraw/zinc/11/37/31/507113731.db2.gz FIAFBIYZLJEKHK-WOJBJXKFSA-N 2 0 373.541 3.213 20 0 FGADRP C[C@@H]([NH2+]CCCC[NH+]1CCN(C)CC1)c1cc(Br)cs1 ZINC000584089476 507146210 /nfs/dbraw/zinc/14/62/10/507146210.db2.gz PUHDTEVGBJMLAA-CYBMUJFWSA-N 2 0 360.365 3.189 20 0 FGADRP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000600887426 507162526 /nfs/dbraw/zinc/16/25/26/507162526.db2.gz KIOWWDJOXJGVEP-AZUAARDMSA-N 2 0 374.573 3.489 20 0 FGADRP C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)c2ccc(Nc3cc[nH+]cc3)cc2)C1 ZINC000605404304 507180638 /nfs/dbraw/zinc/18/06/38/507180638.db2.gz RZVDRGONVKQERS-ROUUACIJSA-N 2 0 366.509 3.345 20 0 FGADRP Cc1cc(C[N@@H+](C)CCN(C)C2CC[NH+](C)CC2)cc(C)c1OC(F)F ZINC000584199338 507207327 /nfs/dbraw/zinc/20/73/27/507207327.db2.gz BWQPKPAGXGJUCM-UHFFFAOYSA-N 2 0 369.500 3.363 20 0 FGADRP C[C@H](CNC(=O)c1ccccc1OCC[N@@H+]1CCCC[C@@H]1C)[NH+]1CCCC1 ZINC000591430854 507247896 /nfs/dbraw/zinc/24/78/96/507247896.db2.gz VRZGAMGCFWQSFV-RBUKOAKNSA-N 2 0 373.541 3.154 20 0 FGADRP COC(=O)c1ccc(Cl)c(C[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)c1 ZINC000594734549 507260149 /nfs/dbraw/zinc/26/01/49/507260149.db2.gz AYCVBVNWGGDZBU-INIZCTEOSA-N 2 0 350.890 3.338 20 0 FGADRP CCCc1ccc(C[NH2+]Cc2ccc(C(=O)NCC[NH+](C)C)cc2)cc1 ZINC000605815946 507286777 /nfs/dbraw/zinc/28/67/77/507286777.db2.gz JNYFMJMXTVDXGH-UHFFFAOYSA-N 2 0 353.510 3.220 20 0 FGADRP C[C@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)NC[C@@H]1CCC[NH+](C)C1 ZINC000594870342 507301151 /nfs/dbraw/zinc/30/11/51/507301151.db2.gz ZBZYTGILJNADFI-OALUTQOASA-N 2 0 373.541 3.011 20 0 FGADRP CC[NH+]1CCN(Cc2ccc(C[NH2+][C@@H](C)CSCCF)cc2)CC1 ZINC000595012538 507354222 /nfs/dbraw/zinc/35/42/22/507354222.db2.gz PPCOLXAPFNSWEN-KRWDZBQOSA-N 2 0 353.551 3.005 20 0 FGADRP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)N2CC[C@@](C)(C[NH3+])C2)C1 ZINC000584458672 507356980 /nfs/dbraw/zinc/35/69/80/507356980.db2.gz AXDGTDXZYWGBDH-HMFYCAOWSA-N 2 0 372.557 3.045 20 0 FGADRP CCc1ccc([C@H](CNC(=O)N2CCC[C@H]2C[NH+]2CCCC2)[NH+](C)C)cc1 ZINC000584460959 507357859 /nfs/dbraw/zinc/35/78/59/507357859.db2.gz YWTSJORMYJPRQB-SFTDATJTSA-N 2 0 372.557 3.122 20 0 FGADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@H]2CCc3ccc(I)cc32)C1 ZINC000595044809 507366406 /nfs/dbraw/zinc/36/64/06/507366406.db2.gz FEGGURQRFGKGQX-PEYYIBSZSA-N 2 0 370.278 3.208 20 0 FGADRP C[NH+](C)CCOc1ccc(NC(=O)c2ccc(CC[NH+](C)C)cc2)cc1F ZINC000584540418 507401085 /nfs/dbraw/zinc/40/10/85/507401085.db2.gz YMBIXUPGRGZOMY-UHFFFAOYSA-N 2 0 373.472 3.123 20 0 FGADRP c1cc2n(n1)C[C@H](C[NH2+]Cc1ccc(C[NH+]3CCCCCC3)cc1)CN2 ZINC000595151463 507412207 /nfs/dbraw/zinc/41/22/07/507412207.db2.gz NFAYKVGKNAVUHU-HXUWFJFHSA-N 2 0 353.514 3.091 20 0 FGADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N[C@@H](C)C1CC[NH+](C)CC1 ZINC000606635577 507460263 /nfs/dbraw/zinc/46/02/63/507460263.db2.gz NHPWNJHTRQKDFF-KRWDZBQOSA-N 2 0 360.546 3.056 20 0 FGADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)N(CC[NH+](C)C)CC2CCCCC2)C1 ZINC000606677206 507478063 /nfs/dbraw/zinc/47/80/63/507478063.db2.gz MWVWBJOKZYCYCT-HXUWFJFHSA-N 2 0 366.594 3.260 20 0 FGADRP CC1CCC([NH+]2CCN(C(=O)Nc3cccc4c3CC[NH2+]C4)CC2)CC1 ZINC000584827495 507527834 /nfs/dbraw/zinc/52/78/34/507527834.db2.gz ZCGBROASBZIKPL-UHFFFAOYSA-N 2 0 356.514 3.061 20 0 FGADRP C[C@H](C(=O)N1CCC[N@H+](Cc2ccccc2)C[C@H]1C)[NH+]1CCCCCC1 ZINC000607088671 507608512 /nfs/dbraw/zinc/60/85/12/507608512.db2.gz NWFSZSFGRIISCT-WOJBJXKFSA-N 2 0 357.542 3.374 20 0 FGADRP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000595657234 507618129 /nfs/dbraw/zinc/61/81/29/507618129.db2.gz CLCQGEJWLSXOQD-PMACEKPBSA-N 2 0 360.546 3.243 20 0 FGADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000607280660 507677084 /nfs/dbraw/zinc/67/70/84/507677084.db2.gz HNSPSHNYQXWURM-OALUTQOASA-N 2 0 357.542 3.408 20 0 FGADRP CC(C)[C@@H](CNC(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1)[NH+]1CCC(C)CC1 ZINC000592490838 507678523 /nfs/dbraw/zinc/67/85/23/507678523.db2.gz PBEWEQQNXBGNKD-AZUAARDMSA-N 2 0 364.578 3.059 20 0 FGADRP COC(=O)[C@@H](C)C[N@H+](Cc1ccccc1)Cc1cccc2c1CC[NH2+]C2 ZINC000595893460 507730632 /nfs/dbraw/zinc/73/06/32/507730632.db2.gz RJBHYDBPFFBLJW-KRWDZBQOSA-N 2 0 352.478 3.144 20 0 FGADRP COC(=O)c1cc2cc(C[NH+]3CCC([C@@H]4CCC[NH2+]C4)CC3)ccc2o1 ZINC000595900155 507733582 /nfs/dbraw/zinc/73/35/82/507733582.db2.gz AAEKPQSRNVMBMU-QGZVFWFLSA-N 2 0 356.466 3.431 20 0 FGADRP Cc1cc(NC(=O)CC[NH2+]Cc2ccc(C[NH+]3CCCCCC3)cc2)no1 ZINC000515415472 517344295 /nfs/dbraw/zinc/34/42/95/517344295.db2.gz RRFFKJATPWSXOT-UHFFFAOYSA-N 2 0 370.497 3.477 20 0 FGADRP CC1CC[NH+](Cc2ccc(CNC(=O)NC[C@@]3(C)CCC[NH2+]C3)cc2)CC1 ZINC000669115349 567998095 /nfs/dbraw/zinc/99/80/95/567998095.db2.gz QIWDWSYEYUNCBG-QFIPXVFZSA-N 2 0 372.557 3.107 20 0 FGADRP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)N1CCC(C)([NH3+])CC1 ZINC000669117896 568037402 /nfs/dbraw/zinc/03/74/02/568037402.db2.gz VCWYXVLZLZKOFI-KRWDZBQOSA-N 2 0 358.530 3.084 20 0 FGADRP CCCC[N@H+](C)CC1CC[NH+]([C@@H](C)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736453900 599319406 /nfs/dbraw/zinc/31/94/06/599319406.db2.gz SBHHPMAZZOYRQL-INIZCTEOSA-N 2 0 356.518 3.372 20 0 FGADRP CC[NH+](CC)Cc1ccc(C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)cc1 ZINC000821197426 607470706 /nfs/dbraw/zinc/47/07/06/607470706.db2.gz KYXPYLDCYYBHFC-UHFFFAOYSA-N 2 0 368.460 3.137 20 0 FGADRP C[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)CC[N@@H+]1C ZINC000824894563 608362683 /nfs/dbraw/zinc/36/26/83/608362683.db2.gz YSWBLWYELVFXLT-YJBOKZPZSA-N 2 0 362.481 3.106 20 0 FGADRP c1ccc(-c2ccc(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)cc2)c(-c2nn[nH]n2)c1 ZINC000826519340 608363501 /nfs/dbraw/zinc/36/35/01/608363501.db2.gz UVPCEXMIMOQBER-RTBURBONSA-N 2 0 374.492 3.250 20 0 FGADRP C[C@@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)c1cccc(Br)c1 ZINC000020549223 695641936 /nfs/dbraw/zinc/64/19/36/695641936.db2.gz ZJMQPBNPKUMFQN-CQSZACIVSA-N 2 0 354.336 3.126 20 0 FGADRP CC[NH+](CC)C[C@@H]1CC[N@H+](CC2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000076003267 700221474 /nfs/dbraw/zinc/22/14/74/700221474.db2.gz WYWCTIUUEKDEIK-SFHVURJKSA-N 2 0 353.551 3.297 20 0 FGADRP FC(F)(F)c1ccc(C[N@@H+]2CCCN(CC[NH+]3CCCC3)CC2)cc1 ZINC000089884419 700397271 /nfs/dbraw/zinc/39/72/71/700397271.db2.gz IOLBKCMHKSNEHL-UHFFFAOYSA-N 2 0 355.448 3.309 20 0 FGADRP CC[NH+]1CCN(Cc2ccc(C[NH2+][C@H](C)c3cnc(C)s3)cc2)CC1 ZINC000090403146 700402647 /nfs/dbraw/zinc/40/26/47/700402647.db2.gz KXTUTQMHGSDMRJ-MRXNPFEDSA-N 2 0 358.555 3.440 20 0 FGADRP C[NH+](C)CCC1CC[NH+](CC2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000113500867 700572999 /nfs/dbraw/zinc/57/29/99/700572999.db2.gz WFKHFFRLJVEPLK-UHFFFAOYSA-N 2 0 353.551 3.297 20 0 FGADRP C[N@H+](CC1CC[NH+](C)CC1)Cn1ncc2c1cccc2Br ZINC000117863740 700606209 /nfs/dbraw/zinc/60/62/09/700606209.db2.gz CHLKQRSUYRVCIR-UHFFFAOYSA-N 2 0 351.292 3.030 20 0 FGADRP C[C@@H]1C[N@@H+](CCCC[NH2+]Cc2csc(-c3ccccn3)n2)C[C@H](C)O1 ZINC000126818829 700753372 /nfs/dbraw/zinc/75/33/72/700753372.db2.gz WIEORALEXQGZKP-IYBDPMFKSA-N 2 0 360.527 3.184 20 0 FGADRP CCCC[NH+]1CCC([NH2+]CC2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000177551942 705627808 /nfs/dbraw/zinc/62/78/08/705627808.db2.gz AHKVYPXDNYJDCE-UHFFFAOYSA-N 2 0 353.551 3.488 20 0 FGADRP C[NH+](C)CC1CCC([NH2+][C@@H]2CCCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000183625791 705894365 /nfs/dbraw/zinc/89/43/65/705894365.db2.gz QWQHZLRUOZXOJK-LXPRWKDFSA-N 2 0 353.551 3.486 20 0 FGADRP C[NH+](C)[C@H](CNC(=O)NC1CC[NH+](C(C)(C)C)CC1)C1CCCCC1 ZINC000193842188 713501435 /nfs/dbraw/zinc/50/14/35/713501435.db2.gz AZBCZIZNIDSLDD-GOSISDBHSA-N 2 0 352.567 3.059 20 0 FGADRP C[C@@H]([NH2+][C@@H](C)C1CC[NH+](C)CC1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000301644450 713782404 /nfs/dbraw/zinc/78/24/04/713782404.db2.gz USNJAIDCQWOXAX-LZLYRXPVSA-N 2 0 353.551 3.342 20 0 FGADRP C[C@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)c1ccc(F)c(Br)c1 ZINC000315470083 713806504 /nfs/dbraw/zinc/80/65/04/713806504.db2.gz JRGZABKUFXMRBQ-ZDUSSCGKSA-N 2 0 372.326 3.265 20 0 FGADRP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]CCC(=O)N[C@@H](c1cccs1)c1ccccc1 ZINC000641805852 717931100 /nfs/dbraw/zinc/93/11/00/717931100.db2.gz OWSZCINGWVJHGX-ZHALLVOQSA-N 2 0 357.523 3.059 20 0 FGADRP CO[C@H](C[N@@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1)c1ccc(Cl)cc1 ZINC000374783609 713943697 /nfs/dbraw/zinc/94/36/97/713943697.db2.gz WUURDEDCHYYZGR-VQTJNVASSA-N 2 0 365.949 3.128 20 0 FGADRP CC[NH+]1CCC(C[NH2+]C[C@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000390867171 713988817 /nfs/dbraw/zinc/98/88/17/713988817.db2.gz NHPUCMPNRSFRSH-HNNXBMFYSA-N 2 0 361.313 3.055 20 0 FGADRP CCC[N@H+](CC)C[C@H](C)NC(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000641954389 717940718 /nfs/dbraw/zinc/94/07/18/717940718.db2.gz AUUNGECNJNRABZ-KRWDZBQOSA-N 2 0 352.567 3.203 20 0 FGADRP CCOCCOc1ccc(Br)cc1C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000414922168 714005587 /nfs/dbraw/zinc/00/55/87/714005587.db2.gz GNLHCCUHHZTOCY-HZPDHXFCSA-N 2 0 371.319 3.224 20 0 FGADRP [NH3+][C@H]1CCC[C@@H]([NH2+]C2CCN(Cc3ccccc3Br)CC2)C1 ZINC000414924003 714005763 /nfs/dbraw/zinc/00/57/63/714005763.db2.gz JFPZYONYAMDEEI-DOTOQJQBSA-N 2 0 366.347 3.273 20 0 FGADRP [NH3+][C@H]1CCC[C@H]([NH2+]Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)C1 ZINC000414935472 714005841 /nfs/dbraw/zinc/00/58/41/714005841.db2.gz YOLXWVBJUTVXFO-IRXDYDNUSA-N 2 0 352.404 3.310 20 0 FGADRP [NH3+][C@@H]1CCC[C@H]([NH2+]C2CCN(Cc3ccccc3Br)CC2)C1 ZINC000414924008 714005958 /nfs/dbraw/zinc/00/59/58/714005958.db2.gz JFPZYONYAMDEEI-WBVHZDCISA-N 2 0 366.347 3.273 20 0 FGADRP COc1cc(F)cc(C[NH+]2CCC(C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)c1 ZINC000449019547 714039801 /nfs/dbraw/zinc/03/98/01/714039801.db2.gz NPBFOGWFTOKJHV-HOTGVXAUSA-N 2 0 350.478 3.156 20 0 FGADRP CC(C)[C@@H](C(=O)Nc1nc2ccc(C[N@H+](C)C3CC3)cc2s1)[NH+](C)C ZINC000617866187 714698052 /nfs/dbraw/zinc/69/80/52/714698052.db2.gz CSQNOAFOPYEEMV-KRWDZBQOSA-N 2 0 360.527 3.415 20 0 FGADRP C[N@@H+]1CC[C@@H]([NH2+][C@H]2CCN(c3ccccc3Br)C2)CC1(C)C ZINC000623414995 715331141 /nfs/dbraw/zinc/33/11/41/715331141.db2.gz WVPZCSFFYPKYOB-CABCVRRESA-N 2 0 366.347 3.490 20 0 FGADRP FC(F)CN1CCC[C@@H]1C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000623625571 715374038 /nfs/dbraw/zinc/37/40/38/715374038.db2.gz WBXWUNAGEVCBAU-LJQANCHMSA-N 2 0 351.485 3.013 20 0 FGADRP C[C@@H](C[NH2+][C@H]1CCCc2c3cc(Cl)ccc3[nH]c21)N1CC[NH+](C)CC1 ZINC000623888859 715424784 /nfs/dbraw/zinc/42/47/84/715424784.db2.gz WJDQRHBGMASQBJ-LIRRHRJNSA-N 2 0 360.933 3.424 20 0 FGADRP CCC[C@H]([NH2+][C@@H]1CCN(CCN2CCOCC2)C1)c1cc(C)sc1C ZINC000623895135 715426334 /nfs/dbraw/zinc/42/63/34/715426334.db2.gz JMZHHDUBADMTIK-QUCCMNQESA-N 2 0 365.587 3.202 20 0 FGADRP Cc1nn(-c2cccc(Cl)c2)c(Cl)c1C[NH2+]CCOCC[NH+](C)C ZINC000779431967 724413118 /nfs/dbraw/zinc/41/31/18/724413118.db2.gz IXVXFYRXVDRVAM-UHFFFAOYSA-N 2 0 371.312 3.155 20 0 FGADRP COc1cc(CNC2C[C@H]3CC[C@@H](C2)[N@H+]3C)c(F)cc1Br ZINC000631152225 716575766 /nfs/dbraw/zinc/57/57/66/716575766.db2.gz NSYSPQQGMLCWGP-YHWZYXNKSA-N 2 0 357.267 3.312 20 0 FGADRP COCCOc1ccc([C@H](C)[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)cc1OC ZINC000635007250 717139588 /nfs/dbraw/zinc/13/95/88/717139588.db2.gz APGLYGXMKJQFBV-DOTOQJQBSA-N 2 0 350.503 3.149 20 0 FGADRP COc1cc([C@@H](C)Nc2cc(N3CC[NH2+]CC3)cc[nH+]2)ccc1SC ZINC000635006975 717139658 /nfs/dbraw/zinc/13/96/58/717139658.db2.gz CRSNDIURPQQYBS-CQSZACIVSA-N 2 0 358.511 3.395 20 0 FGADRP Cc1cc(C[NH3+])oc1C(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000638390633 717442984 /nfs/dbraw/zinc/44/29/84/717442984.db2.gz LFAGFYGHTMLDKY-UHFFFAOYSA-N 2 0 359.495 3.487 20 0 FGADRP CCOc1ccc(Cl)cc1CC[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000638807849 717488786 /nfs/dbraw/zinc/48/87/86/717488786.db2.gz QGCNJYSBOVQRIA-UHFFFAOYSA-N 2 0 354.922 3.106 20 0 FGADRP COc1ccc(Cl)cc1NC(=O)[C@@H](C)[N@@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639757096 717598712 /nfs/dbraw/zinc/59/87/12/717598712.db2.gz FGHAACLPUNQFGC-CQSZACIVSA-N 2 0 365.905 3.093 20 0 FGADRP C[NH+]1CCC2(CC[N@H+](Cc3nc4cc(Br)ccc4[nH]3)C2)CC1 ZINC000639757483 717598992 /nfs/dbraw/zinc/59/89/92/717598992.db2.gz MUTVKWJRWRDMAX-UHFFFAOYSA-N 2 0 363.303 3.243 20 0 FGADRP C[NH+]1CCN(C(C)(C)C[NH2+][C@@H](Cc2ccncc2)c2cccs2)CC1 ZINC000643882245 718060263 /nfs/dbraw/zinc/06/02/63/718060263.db2.gz HFNQZOYIWLMFGL-SFHVURJKSA-N 2 0 358.555 3.043 20 0 FGADRP C[C@H]1CCC[N@H+](CCCC[NH2+]C[C@@H](O)COc2ccc(Cl)cc2)C1 ZINC000644521985 718117980 /nfs/dbraw/zinc/11/79/80/718117980.db2.gz MSIQOWWNUWTWOB-FUHWJXTLSA-N 2 0 354.922 3.181 20 0 FGADRP C[C@@H]1CCC[N@H+](CCCC[NH2+]C[C@H](O)COc2ccccc2Cl)C1 ZINC000644521961 718118002 /nfs/dbraw/zinc/11/80/02/718118002.db2.gz JTBOLNFMQLRTTI-SJORKVTESA-N 2 0 354.922 3.181 20 0 FGADRP C[C@H]([NH2+][C@@H]1CC[C@](O)(C(F)(F)F)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000644549933 718122227 /nfs/dbraw/zinc/12/22/27/718122227.db2.gz BMHQLBWFNUFOOH-YSVLISHTSA-N 2 0 360.420 3.124 20 0 FGADRP Clc1ccccc1Cn1cc(C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)cn1 ZINC000647542209 718366433 /nfs/dbraw/zinc/36/64/33/718366433.db2.gz YQWLGAYBEVJASO-GOSISDBHSA-N 2 0 358.917 3.406 20 0 FGADRP Clc1ccccc1Cn1cc(C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)cn1 ZINC000647542210 718366440 /nfs/dbraw/zinc/36/64/40/718366440.db2.gz YQWLGAYBEVJASO-SFHVURJKSA-N 2 0 358.917 3.406 20 0 FGADRP Cc1nn2c(C[N@@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]C4)C3)c(C(C)C)nc2s1 ZINC000647544027 718366954 /nfs/dbraw/zinc/36/69/54/718366954.db2.gz VPGSLNZGUCOHGR-HZPDHXFCSA-N 2 0 361.559 3.434 20 0 FGADRP Brc1ccccc1N1CC[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000647784192 718377761 /nfs/dbraw/zinc/37/77/61/718377761.db2.gz LUPBWTOFGMXNSB-QXSJWSMHSA-N 2 0 364.331 3.006 20 0 FGADRP O=C(c1cccc(Cl)c1)N1CCC[N@H+](CCCC2CC[NH2+]CC2)CC1 ZINC000647881631 718383001 /nfs/dbraw/zinc/38/30/01/718383001.db2.gz VZDGOBLEPKNPBS-UHFFFAOYSA-N 2 0 363.933 3.268 20 0 FGADRP C[C@H](C(=O)NCc1ccccc1Cl)[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647976245 718391167 /nfs/dbraw/zinc/39/11/67/718391167.db2.gz MBKBMYPIQZJHOE-JFIYKMOQSA-N 2 0 363.933 3.056 20 0 FGADRP C[NH+](C)CCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@H]1CCC[NH2+]1 ZINC000648151313 718401611 /nfs/dbraw/zinc/40/16/11/718401611.db2.gz NRXOTLGURSQNSX-MRXNPFEDSA-N 2 0 358.313 3.026 20 0 FGADRP C[C@H](CCNC(=O)[C@@H]([NH3+])c1cccc(Cl)c1)[N@H+](C)Cc1ccccc1 ZINC000649347430 718506181 /nfs/dbraw/zinc/50/61/81/718506181.db2.gz WYSPCIWDEGADAR-BEFAXECRSA-N 2 0 359.901 3.367 20 0 FGADRP C[C@@H]1COCCC[N@H+]1Cc1ccc(F)c(CN2CCCOC[C@@H]2C)c1 ZINC000649391553 718510657 /nfs/dbraw/zinc/51/06/57/718510657.db2.gz QOJUTXDCFQXQCR-SJORKVTESA-N 2 0 350.478 3.047 20 0 FGADRP C[C@@H](c1nc2ccccc2s1)N1CC[NH+](CCC2CC[NH2+]CC2)CC1 ZINC000649414671 718512895 /nfs/dbraw/zinc/51/28/95/718512895.db2.gz QDVSAGFMWKRZSK-INIZCTEOSA-N 2 0 358.555 3.365 20 0 FGADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@H+](Cc3csc(Br)c3)C2)C1 ZINC000650706203 718717191 /nfs/dbraw/zinc/71/71/91/718717191.db2.gz GIQFWVDDIIZFOO-MGPQQGTHSA-N 2 0 359.333 3.229 20 0 FGADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@@H+]2Cc2cccc(Br)c2)C1 ZINC000650722692 718720782 /nfs/dbraw/zinc/72/07/82/718720782.db2.gz ZXYGJHPDYBWEGZ-IXDOHACOSA-N 2 0 353.304 3.310 20 0 FGADRP Cn1cc(-c2ccc(C[N@@H+]3CCCC[C@@H]3[C@@H]3C[C@H]([NH3+])CCO3)s2)cn1 ZINC000650725337 718721585 /nfs/dbraw/zinc/72/15/85/718721585.db2.gz YPLXBKBLMPJAPE-NXHRZFHOSA-N 2 0 360.527 3.009 20 0 FGADRP [NH3+]CC1(CC[NH2+][C@@H](c2ccc(Br)cc2)[C@@H]2CCCO2)CC1 ZINC000650747111 718723706 /nfs/dbraw/zinc/72/37/06/718723706.db2.gz RYCYYFBFFXELCM-HOTGVXAUSA-N 2 0 353.304 3.388 20 0 FGADRP CC[N@H+](CCCNC(=O)NC[C@@H]1CCC[NH+](CC)C1)C1CCCCC1 ZINC000650846814 718734732 /nfs/dbraw/zinc/73/47/32/718734732.db2.gz BJFXDMYKFAPXLG-SFHVURJKSA-N 2 0 352.567 3.062 20 0 FGADRP CC[N@H+](CCCN[C@@H](C)c1cccc(S(N)(=O)=O)c1)C1CCCCC1 ZINC000652237804 718925741 /nfs/dbraw/zinc/92/57/41/718925741.db2.gz FPOKYPIVARAGFH-INIZCTEOSA-N 2 0 367.559 3.029 20 0 FGADRP C[C@H](c1ccc(Cl)cc1)N(C)C(=O)C[N@@H+]1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000652355299 718936445 /nfs/dbraw/zinc/93/64/45/718936445.db2.gz UDWFPOXTIBJOQF-IIDMSEBBSA-N 2 0 351.922 3.309 20 0 FGADRP O=C(Nc1ccc(SCC[NH+]2CCCC2)cc1)[C@H]1C[NH2+]CCC1(F)F ZINC000653253010 719030737 /nfs/dbraw/zinc/03/07/37/719030737.db2.gz CJJQQRBBJZNETD-MRXNPFEDSA-N 2 0 369.481 3.058 20 0 FGADRP Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@@H]2[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)cc1 ZINC000655805334 719342072 /nfs/dbraw/zinc/34/20/72/719342072.db2.gz LWISIRQJMAYUHA-KVPLUYHFSA-N 2 0 364.555 3.010 20 0 FGADRP C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655807097 719342661 /nfs/dbraw/zinc/34/26/61/719342661.db2.gz IEJQBBHTHOUJHJ-IOASZLSFSA-N 2 0 368.319 3.096 20 0 FGADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2cnn(-c3ccc(C(F)(F)F)cc3)c2)C1 ZINC000655825050 719344889 /nfs/dbraw/zinc/34/48/89/719344889.db2.gz UTRKUMNFTRAIEQ-XFHMXUHZSA-N 2 0 352.404 3.321 20 0 FGADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2nc(-c3cccc(Br)c3)c[nH]2)C1 ZINC000655826558 719344910 /nfs/dbraw/zinc/34/49/10/719344910.db2.gz IONQFEWFTZGAAA-JNSHFYNHSA-N 2 0 363.303 3.269 20 0 FGADRP Cn1ncc(C(F)(F)F)c1C[NH2+]Cc1ccc(C[NH+]2CCCC2)cc1 ZINC000657297959 719620689 /nfs/dbraw/zinc/62/06/89/719620689.db2.gz RFKUEYFBDWZVNZ-UHFFFAOYSA-N 2 0 352.404 3.325 20 0 FGADRP FC(F)(F)c1csc(CC[NH2+]Cc2ccnn2-c2cc[nH+]cc2)n1 ZINC000657381703 719636823 /nfs/dbraw/zinc/63/68/23/719636823.db2.gz HPIOKAXFSFJRPI-UHFFFAOYSA-N 2 0 353.373 3.075 20 0 FGADRP Clc1cccc(N2CC[C@H]([NH2+]Cc3ccnn3-c3cc[nH+]cc3)C2)c1 ZINC000657388319 719638745 /nfs/dbraw/zinc/63/87/45/719638745.db2.gz IVMYQRJWMYNVNP-INIZCTEOSA-N 2 0 353.857 3.289 20 0 FGADRP Cc1ncsc1-c1ccc(C[NH2+]CCN2CCC([NH+](C)C)CC2)cc1 ZINC000657386769 719638807 /nfs/dbraw/zinc/63/88/07/719638807.db2.gz LZHRXFRRKDSSAM-UHFFFAOYSA-N 2 0 358.555 3.234 20 0 FGADRP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+]Cc1csc(-c2cccs2)n1 ZINC000657573031 719677229 /nfs/dbraw/zinc/67/72/29/719677229.db2.gz ICNVABNEMFSCNL-AWEZNQCLSA-N 2 0 352.573 3.233 20 0 FGADRP C[C@@H]1C[NH+](CCCCCCCCC[N@@H+]2CC[C@H](O)[C@@H](C)C2)CC[C@H]1O ZINC000781919974 724612736 /nfs/dbraw/zinc/61/27/36/724612736.db2.gz UDELBJLKNJMSQB-FXELSEDVSA-N 2 0 354.579 3.123 20 0 FGADRP Fc1cncc(Br)c1C[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000657814696 719716186 /nfs/dbraw/zinc/71/61/86/719716186.db2.gz KSSUEDFHJGAGEO-UHFFFAOYSA-N 2 0 356.283 3.195 20 0 FGADRP CC[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+][C@H](C)CN1CC[NH+](C)CC1 ZINC000657878869 719724284 /nfs/dbraw/zinc/72/42/84/719724284.db2.gz ITBQATFBSJUWFP-CRAIPNDOSA-N 2 0 357.464 3.252 20 0 FGADRP COc1ccc([C@H](C)[NH2+]CC2CC[NH+](C3CCOCC3)CC2)c(F)c1 ZINC000658070458 719751706 /nfs/dbraw/zinc/75/17/06/719751706.db2.gz VZARYHYFRANFMK-HNNXBMFYSA-N 2 0 350.478 3.376 20 0 FGADRP [NH3+]C1(CNC(=O)NC[C@@H](c2cccc(Cl)c2)[NH+]2CCCC2)CCCC1 ZINC000659433798 719913600 /nfs/dbraw/zinc/91/36/00/719913600.db2.gz GGDISJHDINCGQZ-KRWDZBQOSA-N 2 0 364.921 3.048 20 0 FGADRP CC[NH+](CC)CCC[N@@H+](Cc1ccc(Cl)cc1)C[C@H]1CNC(=O)C1 ZINC000661576216 720279253 /nfs/dbraw/zinc/27/92/53/720279253.db2.gz QOMJAERAANMPHZ-QGZVFWFLSA-N 2 0 351.922 3.010 20 0 FGADRP COc1cccc(SCC[NH+]2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)c1 ZINC000662281055 720408965 /nfs/dbraw/zinc/40/89/65/720408965.db2.gz ICGCIRVDWSAYHJ-RBUKOAKNSA-N 2 0 350.528 3.006 20 0 FGADRP C[C@@H](C(=O)Nc1ccc(F)c(F)c1)[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662297465 720411980 /nfs/dbraw/zinc/41/19/80/720411980.db2.gz QFKNKRQGGGOXDX-ZFWWWQNUSA-N 2 0 351.441 3.003 20 0 FGADRP CC(C)C[C@H](C[NH3+])CC(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000662425939 720427109 /nfs/dbraw/zinc/42/71/09/720427109.db2.gz PAHWJEGFYDYCFV-SFHVURJKSA-N 2 0 363.571 3.228 20 0 FGADRP C[NH2+]CCCC(=O)N1CCC([NH2+][C@@H](C)c2sc(C(C)C)nc2C)CC1 ZINC000665287559 720750454 /nfs/dbraw/zinc/75/04/54/720750454.db2.gz OJBSBDRXYUMWGF-AWEZNQCLSA-N 2 0 366.575 3.216 20 0 FGADRP Cc1ccc(C[NH+]2CCC3(CCN(c4cc(C[NH3+])ncn4)CC3)CC2)cc1 ZINC001164759460 721043222 /nfs/dbraw/zinc/04/32/22/721043222.db2.gz MQGGOJWOARTUCW-UHFFFAOYSA-N 2 0 365.525 3.126 20 0 FGADRP [NH3+][C@@H]1CCC[C@H](NC(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)C1 ZINC000668678497 721328973 /nfs/dbraw/zinc/32/89/73/721328973.db2.gz YNKPELRZOVPIPK-VKJFTORMSA-N 2 0 364.921 3.046 20 0 FGADRP COc1cc[nH+]c(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)c1 ZINC001164907001 721584582 /nfs/dbraw/zinc/58/45/82/721584582.db2.gz QGGHFSYNFZIQFY-LJQANCHMSA-N 2 0 374.435 3.223 20 0 FGADRP C[C@@H](CCc1ccc(F)cc1F)[NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000671747346 721612452 /nfs/dbraw/zinc/61/24/52/721612452.db2.gz JTLVPGLOXLDION-YJBOKZPZSA-N 2 0 351.485 3.044 20 0 FGADRP CN(C)c1cc(Cl)cc(Cl)c1C[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000685612784 722394489 /nfs/dbraw/zinc/39/44/89/722394489.db2.gz ZWOPVGJFVXYUPI-UHFFFAOYSA-N 2 0 373.372 3.175 20 0 FGADRP C[C@@](O)(C[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(F)(F)C(F)(F)F ZINC000724115763 722420795 /nfs/dbraw/zinc/42/07/95/722420795.db2.gz NJDRXQRYJWWFDT-HUUCEWRRSA-N 2 0 366.374 3.047 20 0 FGADRP C[NH+](C)CCOc1ccc(NC(=O)CCCC[NH+]2CCCC2)cc1Cl ZINC000735061380 722512198 /nfs/dbraw/zinc/51/21/98/722512198.db2.gz XAKJVJHWNMPQLB-UHFFFAOYSA-N 2 0 367.921 3.485 20 0 FGADRP C[N@@H+]1CCC[C@H](N2CC[NH+](Cn3ccc(=S)c4ccccc43)CC2)C1 ZINC000738210634 722529195 /nfs/dbraw/zinc/52/91/95/722529195.db2.gz CZBRMGNGWXGILK-KRWDZBQOSA-N 2 0 356.539 3.040 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)/C=C\Sc1ccccc1 ZINC000750735139 722779510 /nfs/dbraw/zinc/77/95/10/722779510.db2.gz TXRYYUPQIHLPDC-XSVZSIDJSA-N 2 0 361.555 3.167 20 0 FGADRP CC[NH+](CC)Cc1cc([C@H](C)[NH2+]C2COC(C)(C)OC2)ccc1OC ZINC000757706717 722978720 /nfs/dbraw/zinc/97/87/20/722978720.db2.gz YMOFTAMBXUVLRU-HNNXBMFYSA-N 2 0 350.503 3.339 20 0 FGADRP C[C@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1cc(Cl)c(N)c(Cl)c1 ZINC000760160966 723040689 /nfs/dbraw/zinc/04/06/89/723040689.db2.gz VAZBYNLYKYMLAH-GXTWGEPZSA-N 2 0 371.356 3.395 20 0 FGADRP C[NH+](C)CC1(C[NH2+][C@@H]2CCC[C@@H]2CNC(=O)OC(C)(C)C)CCCC1 ZINC000760898806 723102893 /nfs/dbraw/zinc/10/28/93/723102893.db2.gz SHEJGMOKHMYPOK-IAGOWNOFSA-N 2 0 353.551 3.391 20 0 FGADRP C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000762640100 723266390 /nfs/dbraw/zinc/26/63/90/723266390.db2.gz DWJLPHPKBMBPKV-MAUKXSAKSA-N 2 0 351.535 3.096 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)C1([NH+](C)C)CCC1)c1ccccc1Cl ZINC000762963348 723298981 /nfs/dbraw/zinc/29/89/81/723298981.db2.gz FCLHOIOEMMXCER-KRWDZBQOSA-N 2 0 351.922 3.323 20 0 FGADRP CC(C)[NH+]1CCC([NH2+]CCC2=CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000793333052 723425900 /nfs/dbraw/zinc/42/59/00/723425900.db2.gz TWCYLFRSFGLFGV-UHFFFAOYSA-N 2 0 351.535 3.406 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CNC(=S)Nc1ccc(C[NH+](C)C)c(Cl)c1 ZINC000795019120 723556953 /nfs/dbraw/zinc/55/69/53/723556953.db2.gz TYONYTCMJYEIMO-HNNXBMFYSA-N 2 0 354.951 3.172 20 0 FGADRP COCCn1c(C)c(C)n(C[NH+]2CCC(CCC[NH+](C)C)CC2)c1=S ZINC000766381297 723571118 /nfs/dbraw/zinc/57/11/18/723571118.db2.gz KSQYUCDFZKRJOY-UHFFFAOYSA-N 2 0 368.591 3.294 20 0 FGADRP C[C@@H]([NH2+]C1CC(NC(=O)OC(C)(C)C)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000798187887 723911913 /nfs/dbraw/zinc/91/19/13/723911913.db2.gz VFDJZKMTQRRMMW-NUWOQIAWSA-N 2 0 351.535 3.285 20 0 FGADRP Cc1cc(Br)cc(C[NH2+]CC2(O)CC[NH+](C(C)C)CC2)c1 ZINC000775004552 723950796 /nfs/dbraw/zinc/95/07/96/723950796.db2.gz PLNAUJBBIVMZNJ-UHFFFAOYSA-N 2 0 355.320 3.082 20 0 FGADRP C[N@H+]1CC=C(C[NH2+]Cc2nc3ccc(Br)cc3s2)CC1 ZINC000775018473 723952310 /nfs/dbraw/zinc/95/23/10/723952310.db2.gz YBIKORNMJOZZQP-UHFFFAOYSA-N 2 0 352.301 3.410 20 0 FGADRP Cc1cc(Br)cc(C[NH2+]C2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)c1 ZINC000775031813 723954104 /nfs/dbraw/zinc/95/41/04/723954104.db2.gz TZBSPJQPFIRBIU-ROUUACIJSA-N 2 0 367.331 3.225 20 0 FGADRP C[NH+](C)CCOc1ccc(CC[NH2+][C@@H]2CC[C@H]3SCCS[C@@H]23)cc1 ZINC000775387056 723987573 /nfs/dbraw/zinc/98/75/73/723987573.db2.gz VXMAVEJCLOUBSJ-QRVBRYPASA-N 2 0 366.596 3.139 20 0 FGADRP CC[NH+](CC)CCC[C@@H](C)[NH2+]C1CC2(C1)CN(C(=O)OC(C)(C)C)C2 ZINC000788500104 725068356 /nfs/dbraw/zinc/06/83/56/725068356.db2.gz YYTPSBAIJSYVRY-MRXNPFEDSA-N 2 0 353.551 3.486 20 0 FGADRP CC(C)[NH+](CCC[NH2+]C1CC2(C1)CN(C(=O)OC(C)(C)C)C2)C(C)C ZINC000788613440 725076078 /nfs/dbraw/zinc/07/60/78/725076078.db2.gz RAEZGTHTRGTGMH-UHFFFAOYSA-N 2 0 353.551 3.484 20 0 FGADRP CSC1(C[NH2+][C@@H](C)c2ccc(N3CCOC3=O)cc2)CC[NH+](C)CC1 ZINC000810252668 725300073 /nfs/dbraw/zinc/30/00/73/725300073.db2.gz SDDMCHGJXKOWBC-HNNXBMFYSA-N 2 0 363.527 3.121 20 0 FGADRP C[C@@H]([NH2+]CCCC[N@@H+]1CCCC[C@@H]1C)C1CN(C(=O)OC(C)(C)C)C1 ZINC000816535010 727172631 /nfs/dbraw/zinc/17/26/31/727172631.db2.gz CBUOFOAXBVPLHQ-DLBZAZTESA-N 2 0 353.551 3.486 20 0 FGADRP C[C@H]([NH2+]CCCCC[NH+]1CCCCC1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000816547422 727173717 /nfs/dbraw/zinc/17/37/17/727173717.db2.gz VQKXYSOWRWZVBA-KRWDZBQOSA-N 2 0 353.551 3.488 20 0 FGADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@@H](C)c1cccc(NS(C)(=O)=O)c1 ZINC000817906835 727287734 /nfs/dbraw/zinc/28/77/34/727287734.db2.gz IHLOVOOGENGNIG-VYDXJSESSA-N 2 0 353.532 3.020 20 0 FGADRP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C[C@H](O)c1cccc(Br)c1 ZINC000817932760 727288445 /nfs/dbraw/zinc/28/84/45/727288445.db2.gz XYNQXEQLSDGGHK-XKQJLSEDSA-N 2 0 355.320 3.383 20 0 FGADRP C[C@H](C[NH2+]C[C@H](O)c1ccccc1Br)C[NH+]1CCCCC1 ZINC000818968955 727331924 /nfs/dbraw/zinc/33/19/24/727331924.db2.gz HOJGCOQTHVQICZ-PBHICJAKSA-N 2 0 355.320 3.194 20 0 FGADRP CCCC[NH+]1CCC([NH2+]C[C@@H](O)c2cccc(Br)c2)CC1 ZINC000819044013 727341409 /nfs/dbraw/zinc/34/14/09/727341409.db2.gz XOJJIZXJFGPRCA-QGZVFWFLSA-N 2 0 355.320 3.337 20 0 FGADRP CC[NH+]1CCC(CC[NH2+]C[C@H](O)c2ccc(F)c(Br)c2)CC1 ZINC000819106890 727348226 /nfs/dbraw/zinc/34/82/26/727348226.db2.gz RJSCMICFLJPCFJ-KRWDZBQOSA-N 2 0 373.310 3.333 20 0 FGADRP CC[NH+]1CCC(CC[NH2+]C[C@H](O)c2cccc(Br)c2)CC1 ZINC000819107172 727348456 /nfs/dbraw/zinc/34/84/56/727348456.db2.gz VHDVCQQQZPRCCJ-KRWDZBQOSA-N 2 0 355.320 3.194 20 0 FGADRP CC(C)(C[NH2+]C[C@H](O)c1cccc(Br)c1)C[NH+]1CCCC1 ZINC000819258939 727362216 /nfs/dbraw/zinc/36/22/16/727362216.db2.gz FJHKKFITUGYDTG-INIZCTEOSA-N 2 0 355.320 3.194 20 0 FGADRP CC(C)(C[NH2+]C[C@H](O)c1ccccc1Br)C[NH+]1CCCC1 ZINC000819260927 727362242 /nfs/dbraw/zinc/36/22/42/727362242.db2.gz XLCXTDWFOGLWLZ-INIZCTEOSA-N 2 0 355.320 3.194 20 0 FGADRP CSC1(C[NH2+][C@@H]2CC[C@@H](C)N(C(=O)OC(C)(C)C)C2)CC[NH+](C)CC1 ZINC000822482183 729179949 /nfs/dbraw/zinc/17/99/49/729179949.db2.gz ZDGYITXFPKRCMA-HZPDHXFCSA-N 2 0 371.591 3.191 20 0 FGADRP CC(C)[N@@H+]1CC[C@H](C[NH2+]C[C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)C1 ZINC000824384193 729334883 /nfs/dbraw/zinc/33/48/83/729334883.db2.gz ZGKSZFDHZOXSDX-KZNAEPCWSA-N 2 0 353.551 3.342 20 0 FGADRP Cc1cc([C@@H]([NH3+])CC(=O)NCC(C)(C)[N@@H+]2CCC[C@H](C)C2)cc(Cl)n1 ZINC000827574111 729431947 /nfs/dbraw/zinc/43/19/47/729431947.db2.gz YAZLRDCONWFZEG-BBRMVZONSA-N 2 0 366.937 3.060 20 0 FGADRP C[N@@H+]1CC[C@@H](CNC(=O)CCCCCC[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000831480913 729645346 /nfs/dbraw/zinc/64/53/46/729645346.db2.gz JMBDHADBXTWNDN-KXBFYZLASA-N 2 0 369.912 3.497 20 0 FGADRP CC[C@H]([NH2+]CC1CC[NH+](CC)CC1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000834566192 729814918 /nfs/dbraw/zinc/81/49/18/729814918.db2.gz GCVDPMQYZDBPBL-ZWKOTPCHSA-N 2 0 353.551 3.486 20 0 FGADRP [NH3+]CCc1ccc(C[NH2+]Cc2cc(Br)cc3c2OCC3)cc1 ZINC000841032353 730204917 /nfs/dbraw/zinc/20/49/17/730204917.db2.gz SDIJRLHZNUUBJQ-UHFFFAOYSA-N 2 0 361.283 3.175 20 0 FGADRP Cc1cc([C@@H]([NH3+])CC(=O)N[C@@H](CCC[NH3+])c2ccccc2)cc(Cl)n1 ZINC000841856002 730281398 /nfs/dbraw/zinc/28/13/98/730281398.db2.gz KUXQSXJAQHMCFJ-IRXDYDNUSA-N 2 0 360.889 3.030 20 0 FGADRP C[N@H+](Cc1nc(-c2cc(Br)cs2)no1)C1CCC([NH3+])CC1 ZINC000843355089 730609729 /nfs/dbraw/zinc/60/97/29/730609729.db2.gz LSYXLAZAKNSGNX-UHFFFAOYSA-N 2 0 371.304 3.262 20 0 FGADRP O=C(C[N@@H+]1CCC2(C1)CC[NH2+]CC2)Nc1ccc(SC(F)F)cc1 ZINC000843363398 730611056 /nfs/dbraw/zinc/61/10/56/730611056.db2.gz BAYQGKIARVDVCK-UHFFFAOYSA-N 2 0 355.454 3.015 20 0 FGADRP CC(C)(C)OC(=O)NCCC1CC([NH2+]C2CC[NH+](C3CCC3)CC2)C1 ZINC000845927231 730910154 /nfs/dbraw/zinc/91/01/54/730910154.db2.gz YDWAOYYNHIFEML-UHFFFAOYSA-N 2 0 351.535 3.286 20 0 FGADRP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCC2(CN(C(=O)OC(C)(C)C)C2)CC1 ZINC000847016502 731007256 /nfs/dbraw/zinc/00/72/56/731007256.db2.gz ZBCTWMLCJONFSM-KRWDZBQOSA-N 2 0 351.535 3.194 20 0 FGADRP CCC1(CNC(=[NH2+])N2CCSCC2)CC[NH+](Cc2ccccc2)CC1 ZINC000848991012 731223691 /nfs/dbraw/zinc/22/36/91/731223691.db2.gz RRTRIINQBHZOQW-UHFFFAOYSA-N 2 0 360.571 3.252 20 0 FGADRP C[N@@H+]1CCC[C@@H](CNC(=[NH2+])NC2CC2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000849079414 731226678 /nfs/dbraw/zinc/22/66/78/731226678.db2.gz NISZKFBCUFVTSE-BBRMVZONSA-N 2 0 354.420 3.365 20 0 FGADRP CC(C)(C)OC(=O)N1CCC[C@@H]([NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)C1 ZINC000853084553 731662188 /nfs/dbraw/zinc/66/21/88/731662188.db2.gz QWXWFSAGZUIWDP-QZTJIDSGSA-N 2 0 351.535 3.098 20 0 FGADRP CCc1ncc(C[NH+]2CC[C@H](Oc3ccnc(C[N@@H+](C)CC)c3)C2)s1 ZINC000856554405 732038148 /nfs/dbraw/zinc/03/81/48/732038148.db2.gz RJADESAPMSNQAP-KRWDZBQOSA-N 2 0 360.527 3.206 20 0 FGADRP CC[C@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000858491478 732220220 /nfs/dbraw/zinc/22/02/20/732220220.db2.gz IRQHZLOKVRSARK-SQNIBIBYSA-N 2 0 353.551 3.486 20 0 FGADRP CC[C@@H]1[C@@H]([NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)CCN1C(=O)OC(C)(C)C ZINC000858500236 732220692 /nfs/dbraw/zinc/22/06/92/732220692.db2.gz YZGQURFCVAAJCH-IGKNDFSCSA-N 2 0 351.535 3.237 20 0 FGADRP C[C@@H]1CC(O)C[C@@H](C)[NH+]1CC[Si](C)(C)CC[NH+]1[C@H](C)CC(O)C[C@H]1C ZINC000859268953 732301116 /nfs/dbraw/zinc/30/11/16/732301116.db2.gz RIRKYXBESOHXRK-BRSBDYLESA-N 2 0 370.654 3.162 20 0 FGADRP C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)[C@H]1[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000862366685 732817487 /nfs/dbraw/zinc/81/74/87/732817487.db2.gz VQZZVRXUZYQYKR-VQHPVUNQSA-N 2 0 353.551 3.483 20 0 FGADRP C[NH+]1CCC(CC[NH2+]C[C@H](CC(F)(F)F)NC(=O)OC(C)(C)C)CC1 ZINC000865450588 733203473 /nfs/dbraw/zinc/20/34/73/733203473.db2.gz RKWYYHKURGAPRB-AWEZNQCLSA-N 2 0 367.456 3.154 20 0 FGADRP CC(C)[NH+]1CCC(CC[NH2+][C@@H](C)c2ccc(NS(C)(=O)=O)cc2)CC1 ZINC000866467419 733353372 /nfs/dbraw/zinc/35/33/72/733353372.db2.gz HMACGWXROWQQQR-INIZCTEOSA-N 2 0 367.559 3.219 20 0 FGADRP C[NH+](C)CCCC[NH2+][C@H](c1cccc(Br)c1)[C@@H]1CCOC1 ZINC000872028573 735578544 /nfs/dbraw/zinc/57/85/44/735578544.db2.gz KQGNCMBZJLEZQO-NVXWUHKLSA-N 2 0 355.320 3.458 20 0 FGADRP C[C@@H]([NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2)c1sccc1Br ZINC000873289923 735746702 /nfs/dbraw/zinc/74/67/02/735746702.db2.gz MIJXJJQXOYUIOZ-NEPJUHHUSA-N 2 0 359.333 3.320 20 0 FGADRP CC[N@@H+]1CCC[C@@H](C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)N(C(=O)OC(C)(C)C)C3)C1 ZINC000876987990 736170966 /nfs/dbraw/zinc/17/09/66/736170966.db2.gz PJUXYHQAESZFHA-FJIDUMEYSA-N 2 0 351.535 3.096 20 0 FGADRP COC(=O)c1ccc(C[NH2+]CCCC[N@H+](C)C2CC2)cc1Br ZINC000877577878 736687923 /nfs/dbraw/zinc/68/79/23/736687923.db2.gz MEDAYPGUJQCEPA-UHFFFAOYSA-N 2 0 369.303 3.200 20 0 FGADRP CCO[P@](C)(=O)CC[C@@H](C)[NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000877625499 736695972 /nfs/dbraw/zinc/69/59/72/736695972.db2.gz ZJNNPILKSYPZQX-JIZVJVNCSA-N 2 0 368.458 3.066 20 0 FGADRP COCC[N@@H+](Cc1c(C)nn(C(C)(C)C)c1C)CC1CC[NH+](C)CC1 ZINC000877664070 736701426 /nfs/dbraw/zinc/70/14/26/736701426.db2.gz GKORPLRPBJBOFX-UHFFFAOYSA-N 2 0 350.551 3.045 20 0 FGADRP C[N@@H+]1CC[C@H]2CN(CCC(=O)Nc3c(Cl)cccc3Cl)CC[C@H]21 ZINC000879576872 737009716 /nfs/dbraw/zinc/00/97/16/737009716.db2.gz YOGXTOUKQFDDFE-SWLSCSKDSA-N 2 0 356.297 3.348 20 0 FGADRP CC(C)[C@H]([NH3+])C(C)(C)C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000884203136 737642653 /nfs/dbraw/zinc/64/26/53/737642653.db2.gz POVKDZPZRBNOQG-RDJZCZTQSA-N 2 0 351.560 3.086 20 0 FGADRP CC(C)[C@@H]([NH3+])C(C)(C)C(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000884203135 737642691 /nfs/dbraw/zinc/64/26/91/737642691.db2.gz POVKDZPZRBNOQG-NVXWUHKLSA-N 2 0 351.560 3.086 20 0 FGADRP C[C@@H]1[C@H](C)OC[C@]12CC[C@@H](C[NH2+]C1CCC(C)([NH+]3CCCC3)CC1)O2 ZINC000886768599 739295408 /nfs/dbraw/zinc/29/54/08/739295408.db2.gz DJOKWHRWQMGEIH-OIPPGVIBSA-N 2 0 350.547 3.346 20 0 FGADRP CCC1([NH+]2CCC2)CCN(C(=O)NC[C@H](c2cccs2)[NH+](C)C)CC1 ZINC000887343182 739358973 /nfs/dbraw/zinc/35/89/73/739358973.db2.gz DKYYSIKIJISVLK-MRXNPFEDSA-N 2 0 364.559 3.011 20 0 FGADRP CC[NH+](CC)Cc1ccc(C[NH2+][C@@H]2CCC3(C[C@@H]2F)OCCO3)cc1 ZINC000892460294 740003112 /nfs/dbraw/zinc/00/31/12/740003112.db2.gz MPOGLIITEGADSG-RBUKOAKNSA-N 2 0 350.478 3.252 20 0 FGADRP C[NH+]1CCC(N2CCC([NH2+]Cc3ccc(C(F)F)c(F)c3)CC2)CC1 ZINC000892763839 740041307 /nfs/dbraw/zinc/04/13/07/740041307.db2.gz XBDAKTGWTSTMOE-UHFFFAOYSA-N 2 0 355.448 3.412 20 0 FGADRP CCN1CC[C@@H]([NH2+]CC2CC[NH+](C)CC2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000893499071 742163292 /nfs/dbraw/zinc/16/32/92/742163292.db2.gz QWZBYHPAKVMBON-IEBWSBKVSA-N 2 0 355.448 3.171 20 0 FGADRP COC(=O)c1ccc(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)c(C(F)(F)F)c1 ZINC000894174080 742248838 /nfs/dbraw/zinc/24/88/38/742248838.db2.gz TZVSILHYKGKCNW-LBPRGKRZSA-N 2 0 356.388 3.066 20 0 FGADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+]CC[C@H]2CCC[N@H+](C)C2)C[C@@H]1C(F)(F)F ZINC000894858416 742343675 /nfs/dbraw/zinc/34/36/75/742343675.db2.gz FPRDFLOVJZMSEK-QXSJWSMHSA-N 2 0 364.452 3.218 20 0 FGADRP Cn1c(C[NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)cnc1Cl ZINC000898519317 742804196 /nfs/dbraw/zinc/80/41/96/742804196.db2.gz ORQFZNSFYFWLFD-FGTMMUONSA-N 2 0 358.917 3.464 20 0 FGADRP COc1ccc2c(c1Cl)[C@@H]([NH2+][C@@H](C)CCN1CC[NH+](C)CC1)CCC2 ZINC000903151437 743813389 /nfs/dbraw/zinc/81/33/89/743813389.db2.gz DXNYFJFWJMDBIP-RDJZCZTQSA-N 2 0 365.949 3.342 20 0 FGADRP C[C@H](CS(=O)(=O)c1ccccc1)[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000903253692 743830853 /nfs/dbraw/zinc/83/08/53/743830853.db2.gz OHDIAPRYSGQVDI-PGYGNJIDSA-N 2 0 364.555 3.236 20 0 FGADRP C(OC1CC[NH+](C[C@H]2CC3(CO2)CC[NH2+]CC3)CC1)C1CCCCC1 ZINC000903726190 743879424 /nfs/dbraw/zinc/87/94/24/743879424.db2.gz KJRHULQDOPCOFT-HXUWFJFHSA-N 2 0 350.547 3.206 20 0 FGADRP FC(F)(F)c1cccc([C@@H]2CC[N@H+](C[C@@H]3C[C@@]4(CC[NH2+]C4)CO3)C2)c1 ZINC000903756610 743881171 /nfs/dbraw/zinc/88/11/71/743881171.db2.gz UDQQIPXDIVBOCW-BPQIPLTHSA-N 2 0 354.416 3.263 20 0 FGADRP C[C@H](Cc1ccc(Br)c(F)c1)[NH2+]C[C@H]1C[NH2+]CCC1(F)F ZINC000903956954 743905193 /nfs/dbraw/zinc/90/51/93/743905193.db2.gz NYFAJTNCAADUCO-ZYHUDNBSSA-N 2 0 365.237 3.354 20 0 FGADRP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@@H]2C[NH2+]CCC2(F)F)cc1Cl ZINC000903957416 743905320 /nfs/dbraw/zinc/90/53/20/743905320.db2.gz QNNCSICJXNENBY-OLZOCXBDSA-N 2 0 359.848 3.200 20 0 FGADRP CCCN(C(=O)c1cccs1)C1CC[NH+](C[C@@]2(C)CCC[NH2+]C2)CC1 ZINC000904346220 743948441 /nfs/dbraw/zinc/94/84/41/743948441.db2.gz RFAYFIILJAVHST-FQEVSTJZSA-N 2 0 363.571 3.454 20 0 FGADRP CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)Nc1ccccc1C[NH3+] ZINC000904652351 743966467 /nfs/dbraw/zinc/96/64/67/743966467.db2.gz RBONSJNJLUNSQV-UHFFFAOYSA-N 2 0 360.424 3.273 20 0 FGADRP [NH3+]Cc1ccccc1NC(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000904660453 743966865 /nfs/dbraw/zinc/96/68/65/743966865.db2.gz VCWXEUFLLGCAOP-UHFFFAOYSA-N 2 0 358.511 3.241 20 0 FGADRP CC[C@@](O)(C[NH2+]CC1CC[NH+](Cc2cccs2)CC1)C(F)(F)F ZINC000905076246 743991540 /nfs/dbraw/zinc/99/15/40/743991540.db2.gz NWEGTYJJULXDCT-OAHLLOKOSA-N 2 0 350.450 3.253 20 0 FGADRP O[C@@H](C[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)c1ccc(Cl)c(Cl)c1 ZINC000905127113 743994248 /nfs/dbraw/zinc/99/42/48/743994248.db2.gz IZGCXQMVQLFMMN-ACJLOTCBSA-N 2 0 373.324 3.117 20 0 FGADRP CC1([NH+]2CCC2)CCC([NH2+]CCC(=O)Nc2cc(F)cc(F)c2)CC1 ZINC000905601927 744035866 /nfs/dbraw/zinc/03/58/66/744035866.db2.gz SUMITXRICDGPOM-UHFFFAOYSA-N 2 0 351.441 3.290 20 0 FGADRP O[C@@H](C[NH2+][C@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1)CC(F)(F)F ZINC000905709560 744045837 /nfs/dbraw/zinc/04/58/37/744045837.db2.gz NRUPJOQBXSDELW-VSZNYVQBSA-N 2 0 356.432 3.190 20 0 FGADRP CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]C/C=C\c1ccc(F)cc1F)C2 ZINC000922387420 758909261 /nfs/dbraw/zinc/90/92/61/758909261.db2.gz KRWDXRJNTCRZQR-ZESFDBNRSA-N 2 0 350.453 3.047 20 0 FGADRP CC(C)[C@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1ccccc1Br)C2 ZINC000922388788 758910188 /nfs/dbraw/zinc/91/01/88/758910188.db2.gz RGXGRDFFPRTWDK-BRSBDYLESA-N 2 0 367.331 3.018 20 0 FGADRP CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3ccc(F)c(F)c3F)C2)[C@H]1C(C)C ZINC000922391872 758912648 /nfs/dbraw/zinc/91/26/48/758912648.db2.gz BOMASFBTLDUQTG-RGCFKVTRSA-N 2 0 356.432 3.063 20 0 FGADRP CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]Cc3ccc(Br)o3)C2)[C@@H]1C(C)C ZINC000922393686 758913569 /nfs/dbraw/zinc/91/35/69/758913569.db2.gz SDQFGRFCEKSDLB-TXCZRRACSA-N 2 0 371.319 3.002 20 0 FGADRP CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3cc4ccncc4s3)C2)[C@H]1C(C)C ZINC000922396996 758914649 /nfs/dbraw/zinc/91/46/49/758914649.db2.gz ZXTAHDBKWYEDCP-LFGUQSLTSA-N 2 0 359.539 3.256 20 0 FGADRP O[C@H](Cc1ccccc1C(F)(F)F)CN1CCC([NH2+]CC2CC2)CC1 ZINC000923291722 759096221 /nfs/dbraw/zinc/09/62/21/759096221.db2.gz FQHTYAMCFARRPS-QGZVFWFLSA-N 2 0 356.432 3.073 20 0 FGADRP [NH3+][C@@H]1CCO[C@H](C2CC[NH+](C[C@H](O)c3ccc(Cl)cc3Cl)CC2)C1 ZINC000923378356 759108232 /nfs/dbraw/zinc/10/82/32/759108232.db2.gz HMSUAGFOCKLEAH-JLSDUUJJSA-N 2 0 373.324 3.245 20 0 FGADRP Cc1nc(C[N@@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)sc1C(C)(C)C ZINC000923390916 759110012 /nfs/dbraw/zinc/11/00/12/759110012.db2.gz ZOSSUGPXLCOAPP-XHSDSOJGSA-N 2 0 351.560 3.467 20 0 FGADRP Cc1nc(C[N@@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)sc1C(C)(C)C ZINC000923390914 759110085 /nfs/dbraw/zinc/11/00/85/759110085.db2.gz ZOSSUGPXLCOAPP-HRCADAONSA-N 2 0 351.560 3.467 20 0 FGADRP C[C@H](c1ccccc1Br)[NH+]1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000923449341 759120572 /nfs/dbraw/zinc/12/05/72/759120572.db2.gz MKZRGLOWMAXPAX-ZIAGYGMSSA-N 2 0 353.304 3.340 20 0 FGADRP [NH3+]CC[C@@H]1CC[N@H+](CCC(=O)N[C@@H](c2cccs2)c2ccccc2)C1 ZINC000923486825 759129369 /nfs/dbraw/zinc/12/93/69/759129369.db2.gz KFOKQFUXUGHHME-OXQOHEQNSA-N 2 0 357.523 3.015 20 0 FGADRP COc1cccc(-c2nc(C[N@@H+]3CC[C@H](C[NH3+])[C@H](C)C3)cs2)c1OC ZINC000923498774 759132317 /nfs/dbraw/zinc/13/23/17/759132317.db2.gz PVSXTJMVQMLPJD-ZIAGYGMSSA-N 2 0 361.511 3.244 20 0 FGADRP CCOC(=O)C1(C(F)(F)F)CC[NH+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000923527296 759140997 /nfs/dbraw/zinc/14/09/97/759140997.db2.gz MEGJQGFJPDMSMP-GOOCMWNKSA-N 2 0 362.436 3.115 20 0 FGADRP CCOCCC[N@@H+]1CC[C@@H](NC2CC[NH+](CCC(C)C)CC2)[C@H](C)C1 ZINC000925078385 759444272 /nfs/dbraw/zinc/44/42/72/759444272.db2.gz LNEMEGFKNNMYOV-TZIWHRDSSA-N 2 0 353.595 3.224 20 0 FGADRP C[C@H]([NH2+]Cc1ccccc1CS(C)(=O)=O)c1cccc(C[NH+](C)C)c1 ZINC000925216357 759462528 /nfs/dbraw/zinc/46/25/28/759462528.db2.gz JTQOMEBIJSXCRK-INIZCTEOSA-N 2 0 360.523 3.144 20 0 FGADRP [NH3+][C@@H]1C[C@@H]([NH2+][C@@H]2CCN(c3ncc(C(F)(F)F)cc3Cl)C2)C12CCC2 ZINC000925553651 759503498 /nfs/dbraw/zinc/50/34/98/759503498.db2.gz UNFMLLOKJBMWFU-MRVWCRGKSA-N 2 0 374.838 3.192 20 0 FGADRP C[C@H](Cc1ccc(F)cc1Br)[NH2+]C[C@H]1C[NH2+]CCC1(F)F ZINC000925778925 759536431 /nfs/dbraw/zinc/53/64/31/759536431.db2.gz VHYYTBJARRNBGQ-ZYHUDNBSSA-N 2 0 365.237 3.354 20 0 FGADRP C[C@H]([NH2+]CCN1CCC([NH3+])CC1)c1ccc(SCC(F)(F)F)cc1 ZINC000925812238 759549760 /nfs/dbraw/zinc/54/97/60/759549760.db2.gz WDSLLNPJNKHORX-ZDUSSCGKSA-N 2 0 361.477 3.415 20 0 FGADRP CC(C)[C@@H]([NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ccccc1Cl ZINC000925853157 759559367 /nfs/dbraw/zinc/55/93/67/759559367.db2.gz FIFGDSXROZRTDB-WMLDXEAASA-N 2 0 350.890 3.312 20 0 FGADRP C[C@H]([NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ccc(Cl)c(Cl)c1 ZINC000925855493 759560702 /nfs/dbraw/zinc/56/07/02/759560702.db2.gz OGMRBZCKNPZCBT-WCQYABFASA-N 2 0 357.281 3.329 20 0 FGADRP C[C@H]([NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ccc(Cl)c(Cl)c1 ZINC000925855483 759560833 /nfs/dbraw/zinc/56/08/33/759560833.db2.gz OGMRBZCKNPZCBT-AAEUAGOBSA-N 2 0 357.281 3.329 20 0 FGADRP CC1(C)CN(C(=O)Nc2ccc(SCC[NH+]3CCCC3)cc2)C[C@@H]1[NH3+] ZINC000926172782 759668439 /nfs/dbraw/zinc/66/84/39/759668439.db2.gz YIMZTKDMMWIHKH-KRWDZBQOSA-N 2 0 362.543 3.076 20 0 FGADRP CC(=O)NCCCCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000930373056 760591601 /nfs/dbraw/zinc/59/16/01/760591601.db2.gz GUWPGMBZTUIVEB-SFHVURJKSA-N 2 0 351.560 3.117 20 0 FGADRP CC[C@@H]1[C@@H](C(=O)N[C@H](C)C2CC[NH+](Cc3ccsc3)CC2)CC[N@@H+]1C ZINC000997094145 765045332 /nfs/dbraw/zinc/04/53/32/765045332.db2.gz SPILSVIHQOWQJN-AYOQOUSVSA-N 2 0 363.571 3.195 20 0 FGADRP Cc1cc(C[NH+]2CCC(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)c(C)s1 ZINC001001418730 765285703 /nfs/dbraw/zinc/28/57/03/765285703.db2.gz LJMUHANAGGQOJX-DNVCBOLYSA-N 2 0 363.571 3.033 20 0 FGADRP CC[C@@H]1[C@@H](C(=O)N2CCC([C@@H]3CCC[NH+]3C/C=C\Cl)CC2)CC[N@@H+]1C ZINC001004453923 765432910 /nfs/dbraw/zinc/43/29/10/765432910.db2.gz XUKPNMZULFGHTI-DQHHYCERSA-N 2 0 367.965 3.172 20 0 FGADRP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H](C[NH2+]Cc3csc(C)c3)C2)CC[N@@H+]1C ZINC001023996149 766047643 /nfs/dbraw/zinc/04/76/43/766047643.db2.gz VGLFJBMOQVRNTM-YTQUADARSA-N 2 0 363.571 3.115 20 0 FGADRP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]2C[NH2+]Cc2ccc(Cl)s2)CC[N@@H+]1C ZINC001034941234 766250340 /nfs/dbraw/zinc/25/03/40/766250340.db2.gz NNLSSENXQIYHFK-VNQPRFMTSA-N 2 0 369.962 3.212 20 0 FGADRP C[C@H]1CCC[N@H+](CCCC[NH2+][C@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000779013855 724381109 /nfs/dbraw/zinc/38/11/09/724381109.db2.gz JDLYOUQQVVFEMA-ROUUACIJSA-N 2 0 353.551 3.488 20 0 FGADRP CCn1nccc1[C@@H]1OCC[C@H]1C[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000328636690 223123157 /nfs/dbraw/zinc/12/31/57/223123157.db2.gz OFGYAZABRUXVSK-LAUBAEHRSA-N 2 0 360.546 3.367 20 0 FGADRP CC[N@@H+]1CC[C@H](C[NH2+]Cc2cn(-c3ccccc3)nc2-c2cccnc2)C1 ZINC000048745036 257344130 /nfs/dbraw/zinc/34/41/30/257344130.db2.gz SAGNUMNEQUCOPT-GOSISDBHSA-N 2 0 361.493 3.366 20 0 FGADRP C[C@H](NC(=O)CN1CC[C@]2(C1)CCC[NH2+]C2)c1cccc2ccccc21 ZINC000576704598 505575037 /nfs/dbraw/zinc/57/50/37/505575037.db2.gz XDZHKNILQGIILO-HTAPYJJXSA-N 2 0 351.494 3.093 20 0 FGADRP CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]C3CC[NH+]([C@@H]4CCCC[C@@H]4C)CC3)[C@H]2C1 ZINC000573599770 505575817 /nfs/dbraw/zinc/57/58/17/505575817.db2.gz JIIGZWFRFDPUSV-XXBFSGCESA-N 2 0 361.574 3.266 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)CC[NH+]1CCCC[C@@H]1C ZINC000567940454 505580061 /nfs/dbraw/zinc/58/00/61/505580061.db2.gz YHKYQCHLCCTIDX-DYXWJJEUSA-N 2 0 357.542 3.278 20 0 FGADRP C[N@H+](Cc1ccccc1)CC(C)(C)CN1CCC[C@H](c2ccnc(N)n2)C1 ZINC000576737198 505581829 /nfs/dbraw/zinc/58/18/29/505581829.db2.gz XTHHTQXOWNDZRA-IBGZPJMESA-N 2 0 367.541 3.227 20 0 FGADRP C[C@H]1C[C@@H]([NH3+])CCN1CC(=O)N(CCc1ccccc1)Cc1ccccc1 ZINC000579609221 505586142 /nfs/dbraw/zinc/58/61/42/505586142.db2.gz QOXVBSKMHQSKQH-UGKGYDQZSA-N 2 0 365.521 3.070 20 0 FGADRP CCC[NH+]1CCN(c2ccccc2C[N@@H+]2CCC[C@@]2(C)CCCO)CC1 ZINC000576789079 505594188 /nfs/dbraw/zinc/59/41/88/505594188.db2.gz AFXZZTGMOJKRQA-QFIPXVFZSA-N 2 0 359.558 3.346 20 0 FGADRP CC(C)(C)[NH+]1CCC([NH2+]C[C@@H](O)Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000573676986 505594922 /nfs/dbraw/zinc/59/49/22/505594922.db2.gz XIMOWUSVIJNPJR-KRWDZBQOSA-N 2 0 358.448 3.461 20 0 FGADRP CCc1cc(=O)[nH]c(CN2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)n1 ZINC000579667518 505597603 /nfs/dbraw/zinc/59/76/03/505597603.db2.gz YMDGSJFTUAAFSN-UHFFFAOYSA-N 2 0 366.509 3.233 20 0 FGADRP CC1CC[NH+]([C@@H](CNC(=O)NCC2(C)CC[NH2+]CC2)c2ccccc2)CC1 ZINC000570938768 505616501 /nfs/dbraw/zinc/61/65/01/505616501.db2.gz CHBQKGQVRMVJPC-FQEVSTJZSA-N 2 0 372.557 3.149 20 0 FGADRP CC[NH+]1CCC(C[NH2+][C@@H](C)CC(=O)Nc2cc(Cl)ccc2OC)CC1 ZINC000576902916 505620241 /nfs/dbraw/zinc/62/02/41/505620241.db2.gz XZODRBNEEURYOC-AWEZNQCLSA-N 2 0 367.921 3.387 20 0 FGADRP COc1cc2ccccc2cc1C[N@@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000576908111 505620977 /nfs/dbraw/zinc/62/09/77/505620977.db2.gz FELVHPLQHRLQIR-QFIPXVFZSA-N 2 0 367.537 3.449 20 0 FGADRP CCCOc1ccc(Br)cc1CN1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000573801701 505624337 /nfs/dbraw/zinc/62/43/37/505624337.db2.gz KEANSWMNFTZREB-DZGCQCFKSA-N 2 0 353.304 3.279 20 0 FGADRP C[NH+](C)[C@@H](CNC(=O)Nc1ccc2c(c1F)CC[NH2+]C2)c1cccc(F)c1 ZINC000573817952 505628431 /nfs/dbraw/zinc/62/84/31/505628431.db2.gz HJQHDYVTUQVXDF-SFHVURJKSA-N 2 0 374.435 3.035 20 0 FGADRP c1cnn(Cc2ccc(C[NH2+][C@@H]3C[C@@]4(CC[NH2+]C4)Oc4ccccc43)cc2)c1 ZINC000576934918 505628530 /nfs/dbraw/zinc/62/85/30/505628530.db2.gz QLBIJSKNVIINOO-FYYLOGMGSA-N 2 0 374.488 3.277 20 0 FGADRP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)NCC[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)C1 ZINC000576965677 505635405 /nfs/dbraw/zinc/63/54/05/505635405.db2.gz SNRJFWRPEHLQNQ-FMWKFLBASA-N 2 0 372.557 3.056 20 0 FGADRP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)NCC[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)C1 ZINC000576965678 505635710 /nfs/dbraw/zinc/63/57/10/505635710.db2.gz SNRJFWRPEHLQNQ-JYAXBFRTSA-N 2 0 372.557 3.056 20 0 FGADRP C[NH+](C)CCCOc1cccc(NC(=O)c2ccc(CC[NH+](C)C)cc2)c1 ZINC000568188906 505638624 /nfs/dbraw/zinc/63/86/24/505638624.db2.gz VWCBTAQCQKJOFV-UHFFFAOYSA-N 2 0 369.509 3.374 20 0 FGADRP CCN(C(=O)[C@H](C)Cc1c[nH]cn1)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000568189398 505638964 /nfs/dbraw/zinc/63/89/64/505638964.db2.gz GRLKINYXXXXFAC-HLIPFELVSA-N 2 0 354.498 3.272 20 0 FGADRP [NH3+]Cc1ccc(NC(=O)N2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)cc1 ZINC000571056419 505643739 /nfs/dbraw/zinc/64/37/39/505643739.db2.gz QYKQYUGNSBBRIK-JOCHJYFZSA-N 2 0 364.493 3.275 20 0 FGADRP COc1ccccc1-n1nccc1C[N@@H+]1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000571126624 505658492 /nfs/dbraw/zinc/65/84/92/505658492.db2.gz KGHOTEIBPNIWAV-GOSISDBHSA-N 2 0 354.498 3.045 20 0 FGADRP Cc1nc2ccccc2n1C[C@@H]1CCCN1C(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000568373118 505678852 /nfs/dbraw/zinc/67/88/52/505678852.db2.gz RGTQCIVVSIKZCE-BZSNNMDCSA-N 2 0 369.513 3.036 20 0 FGADRP CC(C)[NH+](CCNC(=O)N(CC[NH+](C)C)Cc1ccccc1F)C(C)C ZINC000057508307 493769797 /nfs/dbraw/zinc/76/97/97/493769797.db2.gz JADRPIOYUYXHHM-UHFFFAOYSA-N 2 0 366.525 3.018 20 0 FGADRP CC[NH+](CC)Cc1ccc(C(=O)NC[C@@H](Cc2ccccc2)[NH+](C)C)cc1 ZINC000048078013 493781573 /nfs/dbraw/zinc/78/15/73/493781573.db2.gz ARFZXFLRAIQYJZ-JOCHJYFZSA-N 2 0 367.537 3.431 20 0 FGADRP CC[NH+](CC)CC1CC[NH+](CC(=O)NC(=O)Nc2cccc(C)c2C)CC1 ZINC000057847432 493808361 /nfs/dbraw/zinc/80/83/61/493808361.db2.gz GGKUAJHAGWORCC-UHFFFAOYSA-N 2 0 374.529 3.005 20 0 FGADRP CC[NH+]1CCC(N(C(=O)C2CC[NH+](Cc3ccccc3)CC2)C2CC2)CC1 ZINC000058260834 493839011 /nfs/dbraw/zinc/83/90/11/493839011.db2.gz SIBBNWIWELXMJD-UHFFFAOYSA-N 2 0 369.553 3.374 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)C1CC[NH+](C)CC1)c1ccccc1Cl ZINC000081238510 493850178 /nfs/dbraw/zinc/85/01/78/493850178.db2.gz HASXKWLVUXCYCR-SFHVURJKSA-N 2 0 351.922 3.181 20 0 FGADRP CC[NH+](CC)C[C@H]1CCN(C(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000081333738 493873428 /nfs/dbraw/zinc/87/34/28/493873428.db2.gz LTCLVLOXUPNNRT-NHCUHLMSSA-N 2 0 357.542 3.089 20 0 FGADRP Cc1ccc(C[NH2+]Cc2cccc(OCC[N@@H+](C)C3CCOCC3)c2)o1 ZINC000076399911 493885774 /nfs/dbraw/zinc/88/57/74/493885774.db2.gz QFRQHFJGLSWEKG-UHFFFAOYSA-N 2 0 358.482 3.367 20 0 FGADRP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+](C)C(C2CC2)C2CC2)CC1 ZINC000050988709 493940052 /nfs/dbraw/zinc/94/00/52/493940052.db2.gz IVEQXCQZGBALSO-UHFFFAOYSA-N 2 0 369.553 3.196 20 0 FGADRP C[N@H+](CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)C(C1CC1)C1CC1 ZINC000050988707 493940508 /nfs/dbraw/zinc/94/05/08/493940508.db2.gz RZXFOOODAAOQMD-UHFFFAOYSA-N 2 0 355.526 3.019 20 0 FGADRP Cc1ccccc1C[NH+]1CCC(NC(=O)C[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000051158534 493952240 /nfs/dbraw/zinc/95/22/40/493952240.db2.gz HDSVXERECRISFH-QZTJIDSGSA-N 2 0 357.542 3.054 20 0 FGADRP Cc1ccccc1-c1cnc(C[NH+]2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)o1 ZINC000574088885 505691378 /nfs/dbraw/zinc/69/13/78/505691378.db2.gz JQRDLKKBCPHSNB-PKOBYXMFSA-N 2 0 355.482 3.368 20 0 FGADRP CC[NH+](CC)CC1CC[NH+](CC(=O)N(Cc2ccccc2)C2CC2)CC1 ZINC000051908662 493992755 /nfs/dbraw/zinc/99/27/55/493992755.db2.gz JEJCOJIMOKDOEM-UHFFFAOYSA-N 2 0 357.542 3.231 20 0 FGADRP CCCC[N@H+](C)CC1CC[NH+](CCCN2C(=O)c3ccccc3C2=O)CC1 ZINC000052209427 494012171 /nfs/dbraw/zinc/01/21/71/494012171.db2.gz AXIPOSGBWHOLNR-UHFFFAOYSA-N 2 0 371.525 3.117 20 0 FGADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)NC[C@@]2(C)CCC[NH2+]C2)cc1 ZINC000580171377 505694798 /nfs/dbraw/zinc/69/47/98/505694798.db2.gz DAZKVBODRCXTIC-AVRDEDQJSA-N 2 0 372.557 3.250 20 0 FGADRP COc1c(Br)cc(Br)cc1C[NH2+]CCCC[NH3+] ZINC000037715407 494107989 /nfs/dbraw/zinc/10/79/89/494107989.db2.gz JSGXEABULRYBNC-UHFFFAOYSA-N 2 0 366.097 3.049 20 0 FGADRP C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000085388410 494119518 /nfs/dbraw/zinc/11/95/18/494119518.db2.gz AASLIKBWPPXGOQ-RXVVDRJESA-N 2 0 372.557 3.154 20 0 FGADRP C[C@@H]1C[C@@H]([NH3+])CCN1Cc1cnn(Cc2ccc(C(F)(F)F)cc2)c1 ZINC000571295146 505701128 /nfs/dbraw/zinc/70/11/28/505701128.db2.gz PTXXUFOJMHYANS-DYVFJYSZSA-N 2 0 352.404 3.262 20 0 FGADRP CC(C)[NH+](CCCNC(=O)N1CCC[N@@H+](C2CCCC2)CC1)C(C)C ZINC000072518253 494190603 /nfs/dbraw/zinc/19/06/03/494190603.db2.gz JABPVRMBKXXDCJ-UHFFFAOYSA-N 2 0 352.567 3.155 20 0 FGADRP CC(C)[N@@H+]1CC[C@H](CNC(=O)NCC2([NH+]3CCCCC3)CCCCC2)C1 ZINC000065441994 494197709 /nfs/dbraw/zinc/19/77/09/494197709.db2.gz XEDZPGHULGGDHW-LJQANCHMSA-N 2 0 364.578 3.205 20 0 FGADRP COc1ccc(Br)c(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)c1 ZINC000087790457 494210362 /nfs/dbraw/zinc/21/03/62/494210362.db2.gz IZPKFNPPJVDDLF-QGZVFWFLSA-N 2 0 353.304 3.422 20 0 FGADRP CC[NH+](CC)Cc1ccc(C(=O)N2CC[N@@H+]([C@@H]3C[C@H]3C)C[C@H](C)C2)cc1 ZINC000568495064 505708843 /nfs/dbraw/zinc/70/88/43/505708843.db2.gz RHDKHRUXHQWCRA-WAOWUJCRSA-N 2 0 357.542 3.331 20 0 FGADRP C[NH+](C)[C@H](CNC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)C1CCCCC1 ZINC000042909491 494251459 /nfs/dbraw/zinc/25/14/59/494251459.db2.gz VJHXJIMTHIZCDZ-QGZVFWFLSA-N 2 0 352.567 3.105 20 0 FGADRP CCC[NH+]1CCN(c2ccccc2C[NH2+]Cc2ccccc2CO)CC1 ZINC000088687955 494255531 /nfs/dbraw/zinc/25/55/31/494255531.db2.gz XBKMMXLFUXFXHW-UHFFFAOYSA-N 2 0 353.510 3.001 20 0 FGADRP COc1ccccc1[C@H](CNC(=O)C1CC[NH+](C(C)C)CC1)[NH+]1CCCC1 ZINC000072812834 494256701 /nfs/dbraw/zinc/25/67/01/494256701.db2.gz TUVHMJBFSKKEPS-FQEVSTJZSA-N 2 0 373.541 3.069 20 0 FGADRP CC(C)CN(CC[NH+](C)C)C(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000043135860 494267136 /nfs/dbraw/zinc/26/71/36/494267136.db2.gz ZBXVQSHCXQWGKI-GOSISDBHSA-N 2 0 364.534 3.036 20 0 FGADRP CC(C)[C@H](CNC(=O)C1CC[NH+](C(C)C)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000072884106 494275587 /nfs/dbraw/zinc/27/55/87/494275587.db2.gz IHQKVNWBQJCYHM-QFIPXVFZSA-N 2 0 371.569 3.306 20 0 FGADRP CCC[NH+]1CCC(N(C)C(=O)NCCCC[NH+]2CCC(C)CC2)CC1 ZINC000066178985 494284646 /nfs/dbraw/zinc/28/46/46/494284646.db2.gz ISUXIDPMWSMHPN-UHFFFAOYSA-N 2 0 352.567 3.014 20 0 FGADRP C[NH+](C)[C@@H](CNC(=O)c1ccc(C[NH+]2CCCC2)cc1)c1ccccc1 ZINC000073041489 494310905 /nfs/dbraw/zinc/31/09/05/494310905.db2.gz UFQDDRIIPYAAJG-NRFANRHFSA-N 2 0 351.494 3.315 20 0 FGADRP CCC[NH+]1CCC(NC(=O)NC[C@H](c2ccc(CC)cc2)[NH+](C)C)CC1 ZINC000073493927 494378092 /nfs/dbraw/zinc/37/80/92/494378092.db2.gz ZWLOFVONINXNPH-HXUWFJFHSA-N 2 0 360.546 3.025 20 0 FGADRP CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCCC[NH+]1CCCCC1 ZINC000073536064 494384937 /nfs/dbraw/zinc/38/49/37/494384937.db2.gz NIGSHUUAGAHOAY-OAQYLSRUSA-N 2 0 372.557 3.026 20 0 FGADRP CC[NH+]1CCC(CCNC(=O)NCc2ccccc2C[NH+]2CCCC2)CC1 ZINC000073550524 494388622 /nfs/dbraw/zinc/38/86/22/494388622.db2.gz JUULWKATUMIIHF-UHFFFAOYSA-N 2 0 372.557 3.204 20 0 FGADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)NCc2ccccc2C[NH+]2CCCC2)C1 ZINC000073550686 494389146 /nfs/dbraw/zinc/38/91/46/494389146.db2.gz PSUQBRWAYOFZMX-IBGZPJMESA-N 2 0 372.557 3.156 20 0 FGADRP CC(C)C[NH+]1CCC(NC(=O)N2CC[C@H]([N@H+](C)Cc3ccccc3)C2)CC1 ZINC000073588407 494395394 /nfs/dbraw/zinc/39/53/94/494395394.db2.gz JORCWCWGDZRBOD-NRFANRHFSA-N 2 0 372.557 3.023 20 0 FGADRP CN(C(=O)c1cccc(C[NH+](C)C)c1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000073664055 494408508 /nfs/dbraw/zinc/40/85/08/494408508.db2.gz YCSUBCOVKUMQED-UHFFFAOYSA-N 2 0 365.521 3.485 20 0 FGADRP O=C(NCc1cccc(C[NH+]2CCCC2)c1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000079198734 494418255 /nfs/dbraw/zinc/41/82/55/494418255.db2.gz AKFMWTONTSQOSI-NRFANRHFSA-N 2 0 370.541 3.052 20 0 FGADRP C[C@H](C[NH+]1CCCCC1)NC(=O)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000079293227 494431465 /nfs/dbraw/zinc/43/14/65/494431465.db2.gz MFVOEGUBKSCIOE-LJQANCHMSA-N 2 0 364.578 3.158 20 0 FGADRP CC(C)CN(CC[NH+](C)C)C(=O)NCc1ccccc1C[N@H+](C)C(C)C ZINC000045788962 494462384 /nfs/dbraw/zinc/46/23/84/494462384.db2.gz VOIKTJPITVKAFS-UHFFFAOYSA-N 2 0 362.562 3.256 20 0 FGADRP C[NH+](C)CCOc1ccc(CNC(=O)Nc2cccc(C[NH+](C)C)c2)cc1 ZINC000045794360 494462752 /nfs/dbraw/zinc/46/27/52/494462752.db2.gz WLTXAHUSZWSHCJ-UHFFFAOYSA-N 2 0 370.497 3.010 20 0 FGADRP COc1ccc([C@H](C)[C@H](C)[NH2+]Cc2ccnc(OCC[NH+](C)C)c2)cc1 ZINC000090936994 494504457 /nfs/dbraw/zinc/50/44/57/494504457.db2.gz VIUSFKQZHHDAAZ-SJORKVTESA-N 2 0 357.498 3.312 20 0 FGADRP C[C@@H](Cn1cc(Br)cn1)[NH2+]Cc1ccc(C[NH+](C)C)c(F)c1 ZINC000090919816 494504593 /nfs/dbraw/zinc/50/45/93/494504593.db2.gz NYTRVUFVPPYHPB-LBPRGKRZSA-N 2 0 369.282 3.025 20 0 FGADRP CC[NH+](CC)[C@@H](C(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1)c1ccccc1 ZINC000074319176 494516833 /nfs/dbraw/zinc/51/68/33/494516833.db2.gz QSNHFHDSSUWPAP-PZJWPPBQSA-N 2 0 357.542 3.260 20 0 FGADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NC[C@@H](C)[NH+]1CCC(C)CC1 ZINC000067411628 494534720 /nfs/dbraw/zinc/53/47/20/494534720.db2.gz CRNRJODNXSDSTQ-LJQANCHMSA-N 2 0 374.573 3.400 20 0 FGADRP C[C@H](C[NH2+][C@H](c1ccc(Br)cc1)C1CC1)N1CC[NH+](C)CC1 ZINC000091333357 494584386 /nfs/dbraw/zinc/58/43/86/494584386.db2.gz AGOMZCVHMNNSTP-KDOFPFPSSA-N 2 0 366.347 3.126 20 0 FGADRP C[C@H](C[NH2+][C@@H](C)c1cccc(-c2ccncc2)c1)CN1CC[NH+](C)CC1 ZINC000121091127 494590601 /nfs/dbraw/zinc/59/06/01/494590601.db2.gz HJDXINPWXAOTSR-MOPGFXCFSA-N 2 0 352.526 3.283 20 0 FGADRP C[NH+](C)CCN(CC1CCCCC1)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000074792427 494602841 /nfs/dbraw/zinc/60/28/41/494602841.db2.gz KALUKRVAKBFSIE-IHWFROFDSA-N 2 0 364.578 3.155 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)NCC(C)(C)[NH+]2CCCCC2)C1 ZINC000107834878 494608189 /nfs/dbraw/zinc/60/81/89/494608189.db2.gz DEEHVTOWZQGIGA-KDURUIRLSA-N 2 0 366.594 3.308 20 0 FGADRP C[NH+](C)CCN(CC[NH+](C)C)Cc1cnc(-c2c(F)cccc2F)s1 ZINC000577458717 505731062 /nfs/dbraw/zinc/73/10/62/505731062.db2.gz ZERFWOMXUGSHBS-UHFFFAOYSA-N 2 0 368.497 3.014 20 0 FGADRP CC(C)c1ccc(C2(O)CCC([NH2+][C@@H](C)CN3CC[NH+](C)CC3)CC2)cc1 ZINC000131422631 494613714 /nfs/dbraw/zinc/61/37/14/494613714.db2.gz SUYLTXJOZCJWAR-BVVFMGSASA-N 2 0 373.585 3.166 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)N(C)C[C@@H]1CCC[N@H+](C)C1)c1ccsc1 ZINC000115796595 494626337 /nfs/dbraw/zinc/62/63/37/494626337.db2.gz VYNCROKJFJGMBH-AEFFLSMTSA-N 2 0 366.575 3.114 20 0 FGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@@H](C)c2ccc(Br)s2)CC1 ZINC000121164356 494626239 /nfs/dbraw/zinc/62/62/39/494626239.db2.gz WXEAKSACZHKCAF-KBPBESRZSA-N 2 0 374.392 3.435 20 0 FGADRP C[C@@H]1C[N@@H+](CC2CC[NH+](Cc3c[nH]nc3-c3cccs3)CC2)C[C@H](C)O1 ZINC000092587168 494677463 /nfs/dbraw/zinc/67/74/63/494677463.db2.gz UGDQFDSZNIQBOI-IYBDPMFKSA-N 2 0 374.554 3.459 20 0 FGADRP C[N@@H+]1CCC[C@@H](CNC(=O)NCC2([NH3+])CCCCC2)[C@@H]1c1cccs1 ZINC000568608522 505735849 /nfs/dbraw/zinc/73/58/49/505735849.db2.gz DLYUKVOIVNGIPG-DOTOQJQBSA-N 2 0 364.559 3.092 20 0 FGADRP C/C(=C\c1ccccc1)C[NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000080373745 494688853 /nfs/dbraw/zinc/68/88/53/494688853.db2.gz OKYNLKAYOOJCSZ-NBVRZTHBSA-N 2 0 357.542 3.306 20 0 FGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H]2CCCOc3c(C)cc(C)cc32)CC1 ZINC000121340475 494710802 /nfs/dbraw/zinc/71/08/02/494710802.db2.gz BDUUBSHLGKYZPD-WIYYLYMNSA-N 2 0 359.558 3.380 20 0 FGADRP CC[C@@H](C(=O)NCc1ccccc1-c1ccc(C[NH+](C)C)cc1)[NH+](C)C ZINC000126366566 494727204 /nfs/dbraw/zinc/72/72/04/494727204.db2.gz QRKDFUCAPHKBHP-NRFANRHFSA-N 2 0 353.510 3.372 20 0 FGADRP CC(C)CCNC(=O)[C@@H](C)[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821140 494763110 /nfs/dbraw/zinc/76/31/10/494763110.db2.gz BZEQSYIMWIBIPT-GOSISDBHSA-N 2 0 360.546 3.171 20 0 FGADRP C[C@H]([NH3+])[C@H]1CCCN(C(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)C1 ZINC000574297374 505740938 /nfs/dbraw/zinc/74/09/38/505740938.db2.gz MNUSQSHRBHJJIU-RXVVDRJESA-N 2 0 372.557 3.331 20 0 FGADRP Cc1ccc(OC[C@H](O)C[NH2+][C@H]2CCN([C@@H](C)c3ccccc3)C2)c(C)c1 ZINC000571474308 505741074 /nfs/dbraw/zinc/74/10/74/505741074.db2.gz LFWWXBDKNZYLTF-ILWGZMRPSA-N 2 0 368.521 3.468 20 0 FGADRP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCC[C@@H](Cn2ccnn2)C1 ZINC000092070480 494778527 /nfs/dbraw/zinc/77/85/27/494778527.db2.gz DLTXJJYWPXJMBA-HXUWFJFHSA-N 2 0 355.530 3.148 20 0 FGADRP C[NH+](C)C1(CNC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)CCCC1 ZINC000047835391 494781611 /nfs/dbraw/zinc/78/16/11/494781611.db2.gz YXAQMIGWBUHPER-UHFFFAOYSA-N 2 0 372.557 3.346 20 0 FGADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000116435097 494786971 /nfs/dbraw/zinc/78/69/71/494786971.db2.gz AHSQFHHVUJLJDO-RXVVDRJESA-N 2 0 372.557 3.386 20 0 FGADRP C[C@H](C[NH+]1CCCCC1)NC(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000116529774 494808838 /nfs/dbraw/zinc/80/88/38/494808838.db2.gz UZAOJUMYKSARKB-MOPGFXCFSA-N 2 0 372.557 3.386 20 0 FGADRP CCCCN(C(=O)[C@H]1CCn2cncc2C1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000132107420 494821168 /nfs/dbraw/zinc/82/11/68/494821168.db2.gz CSKHHAPAAXAVTD-INIZCTEOSA-N 2 0 360.546 3.383 20 0 FGADRP Cc1ncc([C@@H](C)[NH2+][C@@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)c(C)n1 ZINC000126695017 494821312 /nfs/dbraw/zinc/82/13/12/494821312.db2.gz CVWCHXVSLABIGQ-LSDHHAIUSA-N 2 0 371.504 3.396 20 0 FGADRP CCn1cc([C@H](C)[NH2+][C@@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)cn1 ZINC000126714099 494824991 /nfs/dbraw/zinc/82/49/91/494824991.db2.gz FVXQLZPGWYSUGM-HOTGVXAUSA-N 2 0 359.493 3.206 20 0 FGADRP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3cnc(-c4ccc(C)cc4)s3)C2)CC1 ZINC000093133425 494831151 /nfs/dbraw/zinc/83/11/51/494831151.db2.gz KDUJRAHRYKZMHX-IBGZPJMESA-N 2 0 370.566 3.330 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)[C@@H]1CCC[NH+]1Cc1ccccc1 ZINC000109122657 494834450 /nfs/dbraw/zinc/83/44/50/494834450.db2.gz XIJSQOISOOJIJO-CTNGQTDRSA-N 2 0 357.542 3.422 20 0 FGADRP CC[C@H]([NH2+]C[C@@H](C(C)C)N1CC[NH+](C)CC1)c1ccc(OC)c(OC)c1 ZINC000132350285 494860800 /nfs/dbraw/zinc/86/08/00/494860800.db2.gz ZFMZZSCXOHKNEF-OALUTQOASA-N 2 0 363.546 3.017 20 0 FGADRP Cc1cc(Cl)cc2c1OCCC[C@H]2[NH2+]CCCN1CC[NH+](C)CC1 ZINC000121799895 494862722 /nfs/dbraw/zinc/86/27/22/494862722.db2.gz MDYMHMPOOCPEMJ-GOSISDBHSA-N 2 0 351.922 3.089 20 0 FGADRP COc1ccc([C@@H]2C[C@H](C)C[N@@H+]2CC(=O)NC2CC[NH+](C(C)C)CC2)cc1 ZINC000121862920 494877311 /nfs/dbraw/zinc/87/73/11/494877311.db2.gz COOWSOXVQGEHNZ-UWJYYQICSA-N 2 0 373.541 3.067 20 0 FGADRP Cc1nccn1-c1ccc([C@H](C)[NH2+]C[C@H](C(C)C)N2CC[NH+](C)CC2)cc1 ZINC000132485920 494881992 /nfs/dbraw/zinc/88/19/92/494881992.db2.gz HUQZLKFXEVEANC-PGRDOPGGSA-N 2 0 369.557 3.103 20 0 FGADRP C[C@@H]1C[C@H]([N@H+](C)Cc2ccccc2N(C)C2CC[NH+](C)CC2)CCN1C ZINC000093644489 494907391 /nfs/dbraw/zinc/90/73/91/494907391.db2.gz HJWOZGZJQIPPEC-WIYYLYMNSA-N 2 0 358.574 3.132 20 0 FGADRP C[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CCCc4ccc(F)cc43)cn2)CC1 ZINC000132707002 494912759 /nfs/dbraw/zinc/91/27/59/494912759.db2.gz FYQSNTRGZKUBFS-HXUWFJFHSA-N 2 0 354.473 3.140 20 0 FGADRP CN(c1ccccc1C[NH2+]C[C@@H](O)c1ccccc1)C1CC[NH+](C)CC1 ZINC000132716432 494913694 /nfs/dbraw/zinc/91/36/94/494913694.db2.gz ZZOADVNPPYUSQN-JOCHJYFZSA-N 2 0 353.510 3.040 20 0 FGADRP CCC[N@H+](C)C[C@H]1CCN(Cc2ccccc2N2CC[NH+](CCC)CC2)C1 ZINC000093742179 494916452 /nfs/dbraw/zinc/91/64/52/494916452.db2.gz ZIIKFGIZBURVPM-OAQYLSRUSA-N 2 0 372.601 3.382 20 0 FGADRP Cc1cccn2c(C[NH+]3CCC(CC[NH+]4C[C@H](C)O[C@@H](C)C4)CC3)cnc12 ZINC000093844351 494926892 /nfs/dbraw/zinc/92/68/92/494926892.db2.gz UPHNPDMFSWAFBM-OALUTQOASA-N 2 0 370.541 3.354 20 0 FGADRP C[N@@H+]1CCCN(CCC[NH2+][C@@H]2CCCc3ncc(C(F)(F)F)cc32)CC1 ZINC000132885434 494938180 /nfs/dbraw/zinc/93/81/80/494938180.db2.gz LLZLAMNZKKRGHL-QGZVFWFLSA-N 2 0 370.463 3.095 20 0 FGADRP COc1cccc(C[C@@H]([NH2+]C[C@H](C)N2CC[NH+](C)CC2)c2ccccc2)c1 ZINC000127415209 494941521 /nfs/dbraw/zinc/94/15/21/494941521.db2.gz QRDWHYJSYYLUAY-WMZHIEFXSA-N 2 0 367.537 3.205 20 0 FGADRP C[C@H]1CCCCN1CC[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000133007293 494955141 /nfs/dbraw/zinc/95/51/41/494955141.db2.gz YEMFDROJAOAJMA-IBGZPJMESA-N 2 0 358.574 3.181 20 0 FGADRP CC1CC[NH+](CCCC[NH2+]C[C@H](O)COc2ccccc2Cl)CC1 ZINC000571516366 505751681 /nfs/dbraw/zinc/75/16/81/505751681.db2.gz MDXHAKRSHSUDTH-KRWDZBQOSA-N 2 0 354.922 3.181 20 0 FGADRP C[C@H](C[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1)C[NH+]1CCCCC1 ZINC000133120695 494973042 /nfs/dbraw/zinc/97/30/42/494973042.db2.gz JAUBFDLUDRPABA-HXUWFJFHSA-N 3 0 372.601 3.429 20 0 FGADRP [NH3+][C@H]1CCCO[C@H]1C1CC[NH+](Cc2c[nH]nc2-c2cccc(Cl)c2)CC1 ZINC000580409167 505753333 /nfs/dbraw/zinc/75/33/33/505753333.db2.gz BNRFVKCPLRSSQO-ICSRJNTNSA-N 2 0 374.916 3.448 20 0 FGADRP Cc1nc(-c2ccccc2)sc1[C@@H](C)[NH2+]C[C@@H](C)N1CC[NH+](C)CC1 ZINC000127688853 494981321 /nfs/dbraw/zinc/98/13/21/494981321.db2.gz SYKUAPICGJXIIC-HZPDHXFCSA-N 2 0 358.555 3.405 20 0 FGADRP C[C@@H](C(=O)NCCC1CC[NH+](C)CC1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000110679216 495000536 /nfs/dbraw/zinc/00/05/36/495000536.db2.gz NLIBHASNGQDSKR-IBGZPJMESA-N 2 0 371.569 3.178 20 0 FGADRP C[N@H+](CCC(=O)Nc1ccc(Br)cc1)C[C@@H]1CCC[NH+](C)C1 ZINC000118842164 495047325 /nfs/dbraw/zinc/04/73/25/495047325.db2.gz ONCAOPIKQCMLIV-CQSZACIVSA-N 2 0 368.319 3.051 20 0 FGADRP O=C(NC1CC1)[C@@H]([NH2+]CCCCC[NH+]1CCCCC1)c1ccc(F)cc1 ZINC000111374834 495068400 /nfs/dbraw/zinc/06/84/00/495068400.db2.gz HINBIUNRNQHFCZ-FQEVSTJZSA-N 2 0 361.505 3.391 20 0 FGADRP C[N@H+](CCc1cccc2ccccc21)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000101556193 495075999 /nfs/dbraw/zinc/07/59/99/495075999.db2.gz BXABXJYGHRWVIH-UHFFFAOYSA-N 2 0 365.521 3.057 20 0 FGADRP C[C@@H](C(=O)NCc1ccc(N2CCC(C)CC2)nc1)[NH+]1[C@@H](C)CC[C@@H]1C ZINC000101644635 495088854 /nfs/dbraw/zinc/08/88/54/495088854.db2.gz JXXZUNQPQUGDAF-BZSNNMDCSA-N 2 0 358.530 3.195 20 0 FGADRP C[C@H]([NH2+]CCCN1CCC[N@H+](C)CC1)[C@H](C)c1nc2ccccc2s1 ZINC000128412048 495092991 /nfs/dbraw/zinc/09/29/91/495092991.db2.gz JKZSOPLZLMPPKQ-IRXDYDNUSA-N 2 0 360.571 3.406 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)C[NH2+]C2CCN(C(=O)c3ccco3)CC2)C1 ZINC000134122020 495109202 /nfs/dbraw/zinc/10/92/02/495109202.db2.gz MJXRIUXJFGJTTJ-CALCHBBNSA-N 2 0 361.530 3.230 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)N1CCC([NH2+]C(C)C)CC1)c1ccccc1 ZINC000111800959 495112378 /nfs/dbraw/zinc/11/23/78/495112378.db2.gz MNFWRHSBPFEAFL-FQEVSTJZSA-N 2 0 360.546 3.242 20 0 FGADRP CC[NH+](CC)Cc1ccccc1CNC(=O)N1CCC([NH2+]C(C)C)CC1 ZINC000111808012 495114136 /nfs/dbraw/zinc/11/41/36/495114136.db2.gz MOPWJJPTLNHTDW-UHFFFAOYSA-N 2 0 360.546 3.200 20 0 FGADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCC(CC[NH+](C)C)CC2)C1 ZINC000111881030 495124639 /nfs/dbraw/zinc/12/46/39/495124639.db2.gz NDYVTPNDGLYZIN-GOSISDBHSA-N 2 0 366.594 3.260 20 0 FGADRP CCCC[N@H+](C)CC1CCN(C(=O)NC[C@H]2CCCC[NH+]2CC)CC1 ZINC000111884041 495125774 /nfs/dbraw/zinc/12/57/74/495125774.db2.gz XYSIRQBWVRDIHA-LJQANCHMSA-N 2 0 352.567 3.014 20 0 FGADRP Cc1cccc(NC(=O)NC(=O)C[NH+]2CCC(CCC[NH+](C)C)CC2)c1C ZINC000123442734 495133366 /nfs/dbraw/zinc/13/33/66/495133366.db2.gz QRQFCMCHMAIPNB-UHFFFAOYSA-N 2 0 374.529 3.005 20 0 FGADRP C[C@H](C(=O)NC[C@@H](C)c1ccccc1)[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123547634 495149850 /nfs/dbraw/zinc/14/98/50/495149850.db2.gz YFLAHJTUXXJIDK-RTBURBONSA-N 2 0 359.558 3.349 20 0 FGADRP Cc1cc2ncn(C[C@H](O)C[NH+]3CCC(CCC[NH+](C)C)CC3)c2cc1C ZINC000123627757 495162781 /nfs/dbraw/zinc/16/27/81/495162781.db2.gz GNGXWRWOMISXNG-HXUWFJFHSA-N 2 0 372.557 3.068 20 0 FGADRP C[C@H]1C[C@@H]([NH2+]C[C@H](O)c2cccc(OCc3ccccc3)c2)CC[N@@H+]1C ZINC000123633940 495164479 /nfs/dbraw/zinc/16/44/79/495164479.db2.gz BCEHNENLPBYUSN-XJABCFGWSA-N 2 0 354.494 3.371 20 0 FGADRP Cn1cc(CN[C@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)c(C(F)(F)F)n1 ZINC000574403456 505764863 /nfs/dbraw/zinc/76/48/63/505764863.db2.gz CLCYUTXJDUMJAZ-JKSUJKDBSA-N 2 0 352.404 3.364 20 0 FGADRP C[N@H+](Cc1ccccc1)C1(CNC(=O)Nc2ccc3c(c2)C[NH2+]C3)CCC1 ZINC000568735834 505765720 /nfs/dbraw/zinc/76/57/20/505765720.db2.gz WMTDNSKTIZLALI-UHFFFAOYSA-N 2 0 364.493 3.466 20 0 FGADRP c1cc(OCCC[N@@H+]2CC[C@H]3[C@H](CCCN3C3CC3)C2)cc2c1OCO2 ZINC000134904943 495219782 /nfs/dbraw/zinc/21/97/82/495219782.db2.gz PZBMAQYFHLXNEG-APWZRJJASA-N 2 0 358.482 3.133 20 0 FGADRP O=C(C[N@@H+]1CCC[C@@H]1CCCc1ccccc1)NC1CC[NH+](C2CC2)CC1 ZINC000135359168 495282060 /nfs/dbraw/zinc/28/20/60/495282060.db2.gz UPSHZEYPNIWXMJ-NRFANRHFSA-N 2 0 369.553 3.217 20 0 FGADRP CN(c1ccccc1C[NH2+]C1CCC(C[NH+](C)C)CC1)C1CC[NH+](C)CC1 ZINC000119983325 495282079 /nfs/dbraw/zinc/28/20/79/495282079.db2.gz WDQDQXJIBIMCCZ-UHFFFAOYSA-N 3 0 372.601 3.427 20 0 FGADRP O=C(NC1CC[NH+](C2CCCC2)CC1)N1CC[NH+](C2CCCCC2)CC1 ZINC000120079690 495302857 /nfs/dbraw/zinc/30/28/57/495302857.db2.gz IONJCLMSYIZRNK-UHFFFAOYSA-N 2 0 362.562 3.053 20 0 FGADRP [NH3+][C@H]1CCC[C@H]([NH2+]CC2(c3ccc(Br)cc3)CCOCC2)C1 ZINC000568768166 505773549 /nfs/dbraw/zinc/77/35/49/505773549.db2.gz IFEIIXBLJKDOCJ-IRXDYDNUSA-N 2 0 367.331 3.357 20 0 FGADRP C[NH+](C)C[C@H]1CC[N@H+](C[C@H](O)Cn2c3ccccc3c3ccccc32)C1 ZINC000113515828 495308679 /nfs/dbraw/zinc/30/86/79/495308679.db2.gz SPRWIBWPMJQWEC-MSOLQXFVSA-N 2 0 351.494 3.039 20 0 FGADRP CCc1ccc([C@@H](CNC(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)[NH+](C)C)cc1 ZINC000105083259 495335452 /nfs/dbraw/zinc/33/54/52/495335452.db2.gz LVMMHAKGRMHYQY-TZIWHRDSSA-N 2 0 374.573 3.271 20 0 FGADRP COc1ccc([C@H](CCO)[NH2+][C@H]2CN(Cc3ccccc3)C[C@@H]2C)cc1 ZINC000120263661 495338530 /nfs/dbraw/zinc/33/85/30/495338530.db2.gz ANKMDSGUONBWGL-HSQYWUDLSA-N 2 0 354.494 3.229 20 0 FGADRP CC(C)[NH+]1CCC(NC(=O)N2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)CC1 ZINC000114016659 495344402 /nfs/dbraw/zinc/34/44/02/495344402.db2.gz QWPONJCDNGIKOA-OALUTQOASA-N 2 0 364.578 3.155 20 0 FGADRP C[NH+]1CCC(CNC(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)CC1 ZINC000105207795 495345608 /nfs/dbraw/zinc/34/56/08/495345608.db2.gz RZVUNYUFVWMLIT-UHFFFAOYSA-N 2 0 372.557 3.204 20 0 FGADRP C[C@@H]1CCN(C(=O)C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c2ccccc2S1 ZINC000574452639 505777157 /nfs/dbraw/zinc/77/71/57/505777157.db2.gz GTFDRTFNGCUREY-KZNAEPCWSA-N 2 0 373.566 3.225 20 0 FGADRP Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)C[NH+]1CCC(C)CC1 ZINC000136238234 495367028 /nfs/dbraw/zinc/36/70/28/495367028.db2.gz UQUOKTLFPRRCFE-UHFFFAOYSA-N 2 0 361.555 3.214 20 0 FGADRP O[C@H]1CC[N@H+](Cc2ccccc2C[NH2+][C@@H]2CCC[C@H](C(F)(F)F)C2)C1 ZINC000130372393 495381381 /nfs/dbraw/zinc/38/13/81/495381381.db2.gz SCLRCRBVANOLMM-KSZLIROESA-N 2 0 356.432 3.464 20 0 FGADRP CC(C)CC[C@H](O)C[NH2+][C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000571633740 505779225 /nfs/dbraw/zinc/77/92/25/505779225.db2.gz BBZGFZPKXZUXPP-WMZOPIPTSA-N 2 0 351.510 3.025 20 0 FGADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)N2CC[NH+](C3CCCCC3)CC2)C1 ZINC000136861472 495405861 /nfs/dbraw/zinc/40/58/61/495405861.db2.gz PQQMNFLUSDJBKV-LJQANCHMSA-N 2 0 364.578 3.158 20 0 FGADRP CC[NH+](CC)Cc1cccc(C[NH2+][C@H](C)C(=O)NCc2ccccc2F)c1 ZINC000114748626 495421666 /nfs/dbraw/zinc/42/16/66/495421666.db2.gz KVXWOXWXIOFQKE-QGZVFWFLSA-N 2 0 371.500 3.462 20 0 FGADRP CC(C)[NH+]1CCC(NC(=O)NC[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC000137426572 495440590 /nfs/dbraw/zinc/44/05/90/495440590.db2.gz IYGLZYXZQVFFSD-UYAOXDASSA-N 2 0 372.557 3.069 20 0 FGADRP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)C1 ZINC000130830732 495452571 /nfs/dbraw/zinc/45/25/71/495452571.db2.gz JXHLZIWXHWIHDC-VQTJNVASSA-N 2 0 364.578 3.014 20 0 FGADRP C[C@H](C[NH2+][C@@H](C)c1ccc(F)c(Br)c1)CN1CC[NH+](C)CC1 ZINC000120826337 495466188 /nfs/dbraw/zinc/46/61/88/495466188.db2.gz BTUZOECFSONCKU-KGLIPLIRSA-N 2 0 372.326 3.122 20 0 FGADRP CCOc1ccc(Cl)cc1[C@@H](C)[NH2+]C[C@@H](C)CN1CC[NH+](C)CC1 ZINC000120884898 495478325 /nfs/dbraw/zinc/47/83/25/495478325.db2.gz ADTLCBJDSMGGCD-HZPDHXFCSA-N 2 0 353.938 3.273 20 0 FGADRP Cc1ccccc1[C@@H]([C@@H](C)NC(=O)NCc1ccc2c[nH+]cn2c1)[NH+](C)C ZINC000574497617 505785787 /nfs/dbraw/zinc/78/57/87/505785787.db2.gz MXIJIYZQDIKLLD-OXQOHEQNSA-N 2 0 365.481 3.133 20 0 FGADRP C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]C[C@@H](C1CC1)N(C)C ZINC000121042776 495510296 /nfs/dbraw/zinc/51/02/96/495510296.db2.gz OXMIZNIDBHADTK-LRDDRELGSA-N 2 0 368.319 3.096 20 0 FGADRP COc1ccc2cc([C@H](C)[NH2+]C[C@@H](C)CN3CC[NH+](C)CC3)ccc2c1 ZINC000121062601 495515302 /nfs/dbraw/zinc/51/53/02/495515302.db2.gz NCLVNNNZVBYARU-MSOLQXFVSA-N 2 0 355.526 3.383 20 0 FGADRP C[C@@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)c1ccc(NS(C)(=O)=O)cc1 ZINC000125917734 495518826 /nfs/dbraw/zinc/51/88/26/495518826.db2.gz ODLDNMMEBKGQFL-RHSMWYFYSA-N 2 0 355.548 3.075 20 0 FGADRP C[C@H]([NH2+]CCCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000158564982 495539714 /nfs/dbraw/zinc/53/97/14/495539714.db2.gz FKLDNRZFWAAQOM-KURKYZTESA-N 2 0 366.571 3.499 20 0 FGADRP O=C([C@H]1CCCCC[NH2+]1)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000580569168 505788579 /nfs/dbraw/zinc/78/85/79/505788579.db2.gz CAGDHRGXVOFXQE-IRLDBZIGSA-N 2 0 355.526 3.033 20 0 FGADRP CC[NH+]1CCN(CCC[NH2+][C@H]2CCCOc3c(Cl)cccc32)CC1 ZINC000154245360 495555174 /nfs/dbraw/zinc/55/51/74/495555174.db2.gz SOCHSNMMVODORL-SFHVURJKSA-N 2 0 351.922 3.171 20 0 FGADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]C[C@H](O)COc1cccc(Cl)c1Cl ZINC000154279807 495566815 /nfs/dbraw/zinc/56/68/15/495566815.db2.gz GWEKSUDOLUTFHP-OSFYFWSMSA-N 2 0 361.313 3.051 20 0 FGADRP Cc1ccc(S(=O)(=O)C[C@@H](C)[NH2+]CCCCC[NH+]2CCCCC2)cc1 ZINC000185442995 495578447 /nfs/dbraw/zinc/57/84/47/495578447.db2.gz ROZWXGZXZFDMOV-LJQANCHMSA-N 2 0 366.571 3.403 20 0 FGADRP CC[C@@H]([NH2+]CCCC[NH+]1CCN(C)CC1)c1cc(Cl)ccc1OC ZINC000154355412 495590618 /nfs/dbraw/zinc/59/06/18/495590618.db2.gz LABZKZUKMPXUBR-GOSISDBHSA-N 2 0 353.938 3.417 20 0 FGADRP C[C@@H](O)C[C@H]1CCC[N@@H+]1Cc1ccccc1C[NH+]1CCC[C@@H]1C[C@H](C)O ZINC000179453951 495597629 /nfs/dbraw/zinc/59/76/29/495597629.db2.gz WQVSTJMVJXQRJO-GMQQQROESA-N 2 0 360.542 3.157 20 0 FGADRP C[C@@H](c1nc2ccccc2s1)[C@H](C)[NH2+]CCCC[NH+]1CCN(C)CC1 ZINC000154389032 495600824 /nfs/dbraw/zinc/60/08/24/495600824.db2.gz KODGBDSXIGYJRS-SJORKVTESA-N 2 0 360.571 3.406 20 0 FGADRP C[C@H]([NH2+]C[C@]1(CO)C[C@H]1c1ccccc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000571694788 505792193 /nfs/dbraw/zinc/79/21/93/505792193.db2.gz NUSBOKRYIWMVSE-TZYHBYERSA-N 2 0 368.521 3.444 20 0 FGADRP OC[C@]1(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)C[C@@H]1c1ccccc1 ZINC000571693977 505792290 /nfs/dbraw/zinc/79/22/90/505792290.db2.gz FDOMTMJSHJVRRK-DNQXCXABSA-N 2 0 364.533 3.449 20 0 FGADRP C[C@@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)c1cc(F)c(F)c(F)c1 ZINC000159160841 495672410 /nfs/dbraw/zinc/67/24/10/495672410.db2.gz LZLCFDJTRYXIBM-CYBMUJFWSA-N 2 0 364.415 3.102 20 0 FGADRP Cc1ccc(C)c(OC[C@H](O)C[NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000185676029 495673495 /nfs/dbraw/zinc/67/34/95/495673495.db2.gz QSQBPAJJLIGCDS-QKNQBKEWSA-N 2 0 360.542 3.286 20 0 FGADRP CC[NH+](CC)CCCC1CC[NH+](CCN2C(=O)c3ccccc3C2=O)CC1 ZINC000182745851 495685926 /nfs/dbraw/zinc/68/59/26/495685926.db2.gz LLCXOICDIUORRZ-UHFFFAOYSA-N 2 0 371.525 3.117 20 0 FGADRP CN(c1ccccc1C[NH2+]Cc1ccc(O)c(F)c1)C1CC[NH+](C)CC1 ZINC000150961936 495696022 /nfs/dbraw/zinc/69/60/22/495696022.db2.gz ORVNMBVOKUOEHY-UHFFFAOYSA-N 2 0 357.473 3.352 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H](NCC(C)(C)[NH+]2CCC[C@H](C)C2)[C@H](C)C1 ZINC000151084388 495731957 /nfs/dbraw/zinc/73/19/57/495731957.db2.gz PKBTWDOGQWRFKJ-ZCNNSNEGSA-N 2 0 353.595 3.224 20 0 FGADRP CC[N@H+](C)C[C@H]1CCN(Cc2csc(-c3ccc(O)c(OC)c3)n2)C1 ZINC000173913492 495744486 /nfs/dbraw/zinc/74/44/86/495744486.db2.gz CMCCMCPLNKNZSM-CQSZACIVSA-N 2 0 361.511 3.298 20 0 FGADRP CC[N@H+](C)C[C@@H]1CCN(Cc2csc(-c3ccc(O)c(OC)c3)n2)C1 ZINC000173913478 495744536 /nfs/dbraw/zinc/74/45/36/495744536.db2.gz CMCCMCPLNKNZSM-AWEZNQCLSA-N 2 0 361.511 3.298 20 0 FGADRP O=C1[C@@H]([N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)CCN1c1ccc(Cl)cc1Cl ZINC000580646512 505805216 /nfs/dbraw/zinc/80/52/16/505805216.db2.gz JBUZYZSTGHXYJV-AHIWAGSCSA-N 2 0 368.308 3.030 20 0 FGADRP COc1cc(-c2ccccc2)ccc1C[NH2+]C[C@@H](C)N1CC[NH+](C)CC1 ZINC000183058751 495817182 /nfs/dbraw/zinc/81/71/82/495817182.db2.gz ZRCKQQQKHVNVGW-GOSISDBHSA-N 2 0 353.510 3.088 20 0 FGADRP Cc1ccc(CN(C(=O)C[NH+]2CCC(C[NH+]3CCCC3)CC2)C2CC2)cc1 ZINC000171385996 495849924 /nfs/dbraw/zinc/84/99/24/495849924.db2.gz QHKJUHFVMXBKTD-UHFFFAOYSA-N 2 0 369.553 3.294 20 0 FGADRP COc1ccc([C@H](C)[NH2+]Cc2cccc(OCCN3CCOCC3)c2)cc1 ZINC000155180363 495864133 /nfs/dbraw/zinc/86/41/33/495864133.db2.gz VQAYNDBRJOCMED-SFHVURJKSA-N 2 0 370.493 3.257 20 0 FGADRP C[C@H]([NH2+]Cc1cccc(OCCN2CCOCC2)c1)c1cccc(F)c1 ZINC000155179572 495864563 /nfs/dbraw/zinc/86/45/63/495864563.db2.gz WWWDFNFKMBPMIF-KRWDZBQOSA-N 2 0 358.457 3.388 20 0 FGADRP Cc1ccccc1[C@H]1C[C@@H](C)[N@H+](CC(=O)NC2CC[NH+](C(C)C)CC2)C1 ZINC000155229929 495883857 /nfs/dbraw/zinc/88/38/57/495883857.db2.gz HEUYLGKFNPNHTD-MOPGFXCFSA-N 2 0 357.542 3.162 20 0 FGADRP COc1ccsc1[C@@H](C)[NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000186179588 495886485 /nfs/dbraw/zinc/88/64/85/495886485.db2.gz QLZZCCOVTJRWEF-MRXNPFEDSA-N 2 0 351.560 3.358 20 0 FGADRP Cc1ncsc1C[NH2+]CCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000174279536 495892878 /nfs/dbraw/zinc/89/28/78/495892878.db2.gz WYFDHQXTSRZYKR-UHFFFAOYSA-N 2 0 358.555 3.139 20 0 FGADRP C[NH+](C)CCNC(=O)c1ccc(C[NH2+][C@H]2CCCc3cc(F)ccc32)cc1 ZINC000183289962 495917425 /nfs/dbraw/zinc/91/74/25/495917425.db2.gz XDBCVAQBIYHTDV-NRFANRHFSA-N 2 0 369.484 3.284 20 0 FGADRP C[NH+](C)[C@H]1CCC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)C1 ZINC000180280599 495935130 /nfs/dbraw/zinc/93/51/30/495935130.db2.gz HRIWMTPKZMTJPK-KLUKMEKLSA-N 2 0 351.535 3.379 20 0 FGADRP C[C@@H]1C[N@@H+](CCCC[NH2+][C@H](c2cnn(C)c2)c2cccc(F)c2)C[C@H](C)O1 ZINC000180312454 495946466 /nfs/dbraw/zinc/94/64/66/495946466.db2.gz WAPVYFFJQALLOD-FVJLSDCUSA-N 2 0 374.504 3.128 20 0 FGADRP OCC[NH+]1CCC(C[NH2+][C@H]2CCCc3nc(-c4ccccc4)sc32)CC1 ZINC000151801526 495951974 /nfs/dbraw/zinc/95/19/74/495951974.db2.gz QKYYCHNHRCCJMG-SFHVURJKSA-N 2 0 371.550 3.481 20 0 FGADRP C[C@@H]([NH2+]CC1CC[NH+](CCO)CC1)c1cc(Cl)ccc1OC(F)F ZINC000151863728 495973417 /nfs/dbraw/zinc/97/34/17/495973417.db2.gz HAIHPCLEQNDTGD-GFCCVEGCSA-N 2 0 362.848 3.296 20 0 FGADRP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3cnc(-c4ccccc4)s3)C2)CC1 ZINC000174545329 496001921 /nfs/dbraw/zinc/00/19/21/496001921.db2.gz WCACCWLEMQDKDX-GOSISDBHSA-N 2 0 356.539 3.022 20 0 FGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H](C)c2ccc(Br)cc2)CC1 ZINC000177294732 496009228 /nfs/dbraw/zinc/00/92/28/496009228.db2.gz SYWXWEIJANGPAZ-CVEARBPZSA-N 2 0 368.363 3.373 20 0 FGADRP c1cn2c(C[NH+]3CCC(OCC[NH+]4CCCC4)CC3)c(C3CC3)nc2s1 ZINC000180508319 496024982 /nfs/dbraw/zinc/02/49/82/496024982.db2.gz LCHXSJADAQMKLF-UHFFFAOYSA-N 2 0 374.554 3.350 20 0 FGADRP C[C@H]1C[NH+](CCCC[NH2+]Cc2cn(C)nc2C2CCCCC2)C[C@H](C)O1 ZINC000183564907 496033203 /nfs/dbraw/zinc/03/32/03/496033203.db2.gz XUHXRVJVXFONAA-ROUUACIJSA-N 2 0 362.562 3.447 20 0 FGADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1ccc(Br)cc1 ZINC000186583759 496056539 /nfs/dbraw/zinc/05/65/39/496056539.db2.gz LIXOJHJBLYOAOU-GJZGRUSLSA-N 2 0 354.336 3.126 20 0 FGADRP C[C@@H]1C[N@@H+](CCC2CC[NH+](CCCOCC(F)(F)F)CC2)C[C@H](C)O1 ZINC000177484516 496081130 /nfs/dbraw/zinc/08/11/30/496081130.db2.gz HODXWCPDTWYFAU-IYBDPMFKSA-N 2 0 366.468 3.167 20 0 FGADRP c1coc([C@@H](C[NH2+]C2CCN(Cc3ccncc3)CC2)N2CCCC2)c1 ZINC000152263240 496098338 /nfs/dbraw/zinc/09/83/38/496098338.db2.gz PVDCORZPHQGEGD-HXUWFJFHSA-N 2 0 354.498 3.066 20 0 FGADRP Cc1ccc([C@@H](CNC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)[NH+]2CCCC2)o1 ZINC000177709648 496166948 /nfs/dbraw/zinc/16/69/48/496166948.db2.gz YMZNQZVTUPHHRH-AZUAARDMSA-N 2 0 373.541 3.496 20 0 FGADRP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1cccc(-n2ccnc2)c1 ZINC000174942863 496174116 /nfs/dbraw/zinc/17/41/16/496174116.db2.gz RWPRUYWHRYNVJA-FQEVSTJZSA-N 2 0 374.488 3.466 20 0 FGADRP CC(C)[C@H](Cc1ccc(F)cc1)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000177826912 496213224 /nfs/dbraw/zinc/21/32/24/496213224.db2.gz DIIBPUSYTKSBIO-NRFANRHFSA-N 2 0 370.516 3.329 20 0 FGADRP CC[N@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)[C@H](C)c1cccc(OC)c1 ZINC000172246215 496226560 /nfs/dbraw/zinc/22/65/60/496226560.db2.gz WEZXDEJROIOPGP-QGZVFWFLSA-N 2 0 361.530 3.067 20 0 FGADRP CCC[N@H+](CC)C[C@@H](C)NC(=O)N[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000571848913 505826909 /nfs/dbraw/zinc/82/69/09/505826909.db2.gz VXRGKNXVPSUQJA-DYXWJJEUSA-N 2 0 374.573 3.459 20 0 FGADRP C[NH+](C)C1(CNC(=O)NC[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)CCC1 ZINC000574685307 505831587 /nfs/dbraw/zinc/83/15/87/505831587.db2.gz XBODMCFBSUHGMQ-FQEVSTJZSA-N 2 0 372.557 3.072 20 0 FGADRP C[NH+](C)CCNC(=O)c1ccc(C[NH2+][C@H]2CCc3cc(Cl)ccc32)cc1 ZINC000180996232 496234818 /nfs/dbraw/zinc/23/48/18/496234818.db2.gz VTLOLZDCTGKNDY-FQEVSTJZSA-N 2 0 371.912 3.409 20 0 FGADRP Cc1ccc([C@H](C)[NH2+]Cc2ccc(C(=O)NCC[NH+](C)C)cc2)cc1C ZINC000180998456 496235350 /nfs/dbraw/zinc/23/53/50/496235350.db2.gz SCOBYNQPQDYJEL-SFHVURJKSA-N 2 0 353.510 3.446 20 0 FGADRP Cc1c([C@@H](C)[NH2+]CCc2cn3c(n2)CCCC3)nnn1-c1ccc(F)cc1 ZINC000152787339 496257268 /nfs/dbraw/zinc/25/72/68/496257268.db2.gz PEPMCOVKXMZEIX-CQSZACIVSA-N 2 0 368.460 3.141 20 0 FGADRP CN(CC[N@H+](C)Cc1cccc(OC(F)(F)F)c1)C1CC[NH+](C)CC1 ZINC000569039148 505835489 /nfs/dbraw/zinc/83/54/89/505835489.db2.gz PQGIVQWBIPOSRM-UHFFFAOYSA-N 2 0 359.436 3.043 20 0 FGADRP O=C([C@@H]1CCC[N@@H+]1Cc1ccccc1)N1CCC[NH+](C2CCCC2)CC1 ZINC000172422958 496291492 /nfs/dbraw/zinc/29/14/92/496291492.db2.gz ZILRFPAGNLQMGU-NRFANRHFSA-N 2 0 355.526 3.128 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCn2c(C)nc3ccccc32)[C@H](C)C1 ZINC000162237878 496320008 /nfs/dbraw/zinc/32/00/08/496320008.db2.gz WBGRLVZPKLEXFG-MJGOQNOKSA-N 2 0 358.530 3.071 20 0 FGADRP CC[N@H+](C)Cc1cccc(C[NH2+]Cc2ccc3c(c2)CCC(=O)N3C)c1 ZINC000187206970 496339209 /nfs/dbraw/zinc/33/92/09/496339209.db2.gz JJOPOYSXCIUWLC-UHFFFAOYSA-N 2 0 351.494 3.337 20 0 FGADRP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCN(c3ccccc3Br)C2)[C@H](C)C1 ZINC000162470050 496358096 /nfs/dbraw/zinc/35/80/96/496358096.db2.gz XBOBAKABPFSLPY-INMHGKMJSA-N 2 0 366.347 3.348 20 0 FGADRP C[NH+](C)[C@H](CNC(=O)N1CCC[N@@H+](C2CCCC2)CC1)C1CCCCC1 ZINC000569053765 505839463 /nfs/dbraw/zinc/83/94/63/505839463.db2.gz HDPLNLAPRYQNFV-HXUWFJFHSA-N 2 0 364.578 3.157 20 0 FGADRP COc1ccc([C@H](C)[C@H](C)[NH2+]C2CCN(C3CC[NH+](C)CC3)CC2)cc1 ZINC000178242307 496384066 /nfs/dbraw/zinc/38/40/66/496384066.db2.gz UVLMCKYSXGOXGW-MSOLQXFVSA-N 2 0 359.558 3.335 20 0 FGADRP CC(C)[NH+]1CCC(C(=O)N(CCCc2ccccc2)CC[NH+](C)C)CC1 ZINC000172712462 496397304 /nfs/dbraw/zinc/39/73/04/496397304.db2.gz DWHKFBBPPBCMPZ-UHFFFAOYSA-N 2 0 359.558 3.130 20 0 FGADRP Cc1ccccc1CN(C)C(=O)[C@H](C)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157167773 496420059 /nfs/dbraw/zinc/42/00/59/496420059.db2.gz YSWSSRCNEJLGBJ-FPOVZHCZSA-N 2 0 357.542 3.292 20 0 FGADRP C[C@H](C(=O)NCc1ccc(Cl)cc1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157179310 496422006 /nfs/dbraw/zinc/42/20/06/496422006.db2.gz FKWILAMHPBYKPV-APWZRJJASA-N 2 0 363.933 3.295 20 0 FGADRP C[NH+](C)[C@@H](CNC(=O)NC1CC[NH+](C2CCCC2)CC1)c1cccs1 ZINC000175528811 496428175 /nfs/dbraw/zinc/42/81/75/496428175.db2.gz OLIMHRBDFFDGGS-KRWDZBQOSA-N 2 0 364.559 3.057 20 0 FGADRP C[C@H]([NH2+]C1CCN(CC(F)(F)F)CC1)c1cccc(OCC[NH+](C)C)c1 ZINC000178366223 496430405 /nfs/dbraw/zinc/43/04/05/496430405.db2.gz XSJXMMWXRAUONV-HNNXBMFYSA-N 2 0 373.463 3.304 20 0 FGADRP COc1ccccc1[C@@H](O)C[NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000178445358 496458716 /nfs/dbraw/zinc/45/87/16/496458716.db2.gz BZUPFTJKTRQMBC-JXFKEZNVSA-N 2 0 358.482 3.020 20 0 FGADRP C[C@H]([NH2+]C[C@@H]1CCN(CC(F)(F)F)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000163092284 496463127 /nfs/dbraw/zinc/46/31/27/496463127.db2.gz CIEFSLRBNGQYIU-HOTGVXAUSA-N 2 0 373.463 3.162 20 0 FGADRP CC[C@@H]([NH2+]C[C@H](C)N1CC[NH+](C)CC1)c1cc(F)cc(Br)c1 ZINC000181703134 496509931 /nfs/dbraw/zinc/50/99/31/496509931.db2.gz GDISRPCXNCFMHE-SUMWQHHRSA-N 2 0 372.326 3.265 20 0 FGADRP C[C@@H](CCNC(=O)NCc1ccccc1C[NH+]1CCCC1)[NH+]1CCCCC1 ZINC000184759452 496520591 /nfs/dbraw/zinc/52/05/91/496520591.db2.gz MAVJCKVTFBBVDZ-IBGZPJMESA-N 2 0 372.557 3.346 20 0 FGADRP CC(C)(C)NC(=O)C[NH+]1CCC(C[NH2+][C@H](Cc2ccccc2)C2CC2)CC1 ZINC000163494822 496523314 /nfs/dbraw/zinc/52/33/14/496523314.db2.gz LAPYBBONFPUJQX-OAQYLSRUSA-N 2 0 371.569 3.224 20 0 FGADRP C[C@H]([NH2+]Cc1ccc(C[NH3+])cc1)c1ccc(OCc2nccn2C)cc1 ZINC000574757347 505849250 /nfs/dbraw/zinc/84/92/50/505849250.db2.gz CRKLVLALZUQELJ-INIZCTEOSA-N 2 0 350.466 3.309 20 0 FGADRP C[C@H]([NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1)c1cc(F)ccc1F ZINC000163497691 496524157 /nfs/dbraw/zinc/52/41/57/496524157.db2.gz AQVWDKPITQRMMF-AWEZNQCLSA-N 2 0 367.484 3.242 20 0 FGADRP CC1CC[NH+]([C@H](CNC(=O)[C@H](C[NH3+])c2ccccc2)c2cccs2)CC1 ZINC000178660583 496531789 /nfs/dbraw/zinc/53/17/89/496531789.db2.gz AQQMDQFOPPFYBZ-RTBURBONSA-N 2 0 371.550 3.380 20 0 FGADRP C[C@@H](CC(=O)NCC1CC[NH+](Cc2ccccc2)CC1)C1CC[NH2+]CC1 ZINC000178731888 496554279 /nfs/dbraw/zinc/55/42/79/496554279.db2.gz LLIWZMAYLWAGJL-SFHVURJKSA-N 2 0 357.542 3.041 20 0 FGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+][C@H](C)c2cn(C)nc2C)CC1 ZINC000178770435 496564764 /nfs/dbraw/zinc/56/47/64/496564764.db2.gz QQVIDRDSICDDQK-HZPDHXFCSA-N 2 0 373.520 3.421 20 0 FGADRP C[C@H](CC(=O)NCc1ccccc1C[NH+]1CCCCC1)[C@@H]1CCC[NH2+]C1 ZINC000163889620 496566678 /nfs/dbraw/zinc/56/66/78/496566678.db2.gz FZUFILKETBSLOY-RTBURBONSA-N 2 0 357.542 3.315 20 0 FGADRP CN(C)C(=O)[C@@H](c1ccccc1)[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000178917862 496616932 /nfs/dbraw/zinc/61/69/32/496616932.db2.gz QRIXIDJCUGJNQX-OAQYLSRUSA-N 2 0 357.542 3.404 20 0 FGADRP c1cc(CN2CCC([NH2+]C3CC[NH+](C4CCCCC4)CC3)CC2)ccn1 ZINC000164835256 496635025 /nfs/dbraw/zinc/63/50/25/496635025.db2.gz DBWVVDPJZMHZKC-UHFFFAOYSA-N 2 0 356.558 3.433 20 0 FGADRP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)CC2CC[NH2+]CC2)C1 ZINC000164846189 496635980 /nfs/dbraw/zinc/63/59/80/496635980.db2.gz MLERKNRHTSETOK-QZTJIDSGSA-N 2 0 357.542 3.170 20 0 FGADRP C[C@@H]1C[N@@H+](CCCC[NH2+]Cc2ccc(OC(F)F)c(F)c2)C[C@H](C)O1 ZINC000178992819 496639057 /nfs/dbraw/zinc/63/90/57/496639057.db2.gz UHQUBVHLTHXQIA-OKILXGFUSA-N 2 0 360.420 3.406 20 0 FGADRP C[NH+](C)Cc1cccc(NC(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)c1 ZINC000179015298 496646341 /nfs/dbraw/zinc/64/63/41/496646341.db2.gz DPEFMSKINHCSCZ-PMACEKPBSA-N 2 0 352.482 3.315 20 0 FGADRP C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000158210629 496650915 /nfs/dbraw/zinc/65/09/15/496650915.db2.gz BYNKIZRFNWZJBM-HZPDHXFCSA-N 2 0 351.922 3.008 20 0 FGADRP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)N(C)CC[NH+](C)C1CC1 ZINC000185125020 496671088 /nfs/dbraw/zinc/67/10/88/496671088.db2.gz SRBWIKNHMIAAEG-SFHVURJKSA-N 2 0 372.557 3.297 20 0 FGADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]C1CCN(Cc2ccc(F)c(F)c2)CC1 ZINC000166168588 496678087 /nfs/dbraw/zinc/67/80/87/496678087.db2.gz BNRNUWXKVZSLDK-STXHMFSFSA-N 2 0 351.485 3.248 20 0 FGADRP C[C@@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)c1ccc(F)c(F)c1 ZINC000173429136 496690073 /nfs/dbraw/zinc/69/00/73/496690073.db2.gz VHJCKDPRLMDVDQ-CQSZACIVSA-N 2 0 361.436 3.107 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)N3CCC[C@H](C[NH3+])C3)cc2)C1 ZINC000580882052 505860462 /nfs/dbraw/zinc/86/04/62/505860462.db2.gz NZKHGSIFOUUGJD-LVCYWYKZSA-N 2 0 372.557 3.045 20 0 FGADRP [NH3+][C@@H]1CCO[C@@H](C2CC[NH+](CCCOc3ccc(Cl)cc3)CC2)C1 ZINC000580883937 505860762 /nfs/dbraw/zinc/86/07/62/505860762.db2.gz KPCDUIRUEOFKCF-IEBWSBKVSA-N 2 0 352.906 3.327 20 0 FGADRP C[C@@H](NC(C)(C)C[NH2+][C@@H](C)c1ccc(-n2cnnn2)cc1)c1ccccc1 ZINC000167874486 496707471 /nfs/dbraw/zinc/70/74/71/496707471.db2.gz IOPFFDXOXYKHRY-DLBZAZTESA-N 2 0 364.497 3.442 20 0 FGADRP Cc1cc(NC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)ccc1OCC[NH+]1CCCC1 ZINC000169093033 496713835 /nfs/dbraw/zinc/71/38/35/496713835.db2.gz ZRRJFXDUBODNEB-CTXDPNEZSA-N 2 0 371.525 3.329 20 0 FGADRP COc1ccc([C@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CC[C@H](O)C2)cc1F ZINC000182270930 496724135 /nfs/dbraw/zinc/72/41/35/496724135.db2.gz SDQDTXYNEZCLDL-KXBFYZLASA-N 2 0 358.457 3.252 20 0 FGADRP CC(C)[NH+](CCNC(=O)N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)C(C)C ZINC000182352404 496730976 /nfs/dbraw/zinc/73/09/76/496730976.db2.gz BNRDQUGKYKESNK-ROUUACIJSA-N 2 0 352.567 3.057 20 0 FGADRP O=C(C1CC[NH+](Cc2ccccc2)CC1)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000263924892 496765353 /nfs/dbraw/zinc/76/53/53/496765353.db2.gz VDGOXHZVSNAOAN-QFIPXVFZSA-N 2 0 369.553 3.376 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H]1CCN(CC(F)(F)F)C1 ZINC000268748895 496772145 /nfs/dbraw/zinc/77/21/45/496772145.db2.gz BQNNFMYYMBYKAN-NEWSRXKRSA-N 2 0 369.475 3.371 20 0 FGADRP COCCN(C)c1ccc(C[NH2+]C2CCC([NH+]3CCC(C)CC3)CC2)cn1 ZINC000191470786 496773591 /nfs/dbraw/zinc/77/35/91/496773591.db2.gz GPKHQLJJAVGUER-UHFFFAOYSA-N 2 0 374.573 3.297 20 0 FGADRP CCCn1ccnc1CCC[N@H+](C)[C@@H](C)C(=O)Nc1nc(C)c(C)s1 ZINC000191493527 496781760 /nfs/dbraw/zinc/78/17/60/496781760.db2.gz YBRJYJXAZZQDLH-AWEZNQCLSA-N 2 0 363.531 3.258 20 0 FGADRP CCCn1ccnc1CCC[N@H+](C)[C@H](C)C(=O)Nc1nc(C)c(C)s1 ZINC000191493546 496781894 /nfs/dbraw/zinc/78/18/94/496781894.db2.gz YBRJYJXAZZQDLH-CQSZACIVSA-N 2 0 363.531 3.258 20 0 FGADRP Cc1c([C@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CC[C@H](O)C2)cnn1C(C)(C)C ZINC000191492113 496782458 /nfs/dbraw/zinc/78/24/58/496782458.db2.gz UAXKAHVWJSTFID-JXFKEZNVSA-N 2 0 370.541 3.364 20 0 FGADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H](c2ccc(Cl)cc2)N2CCOCC2)[C@@H](C)C1 ZINC000247164991 496796552 /nfs/dbraw/zinc/79/65/52/496796552.db2.gz YALGRVYFCRVYEK-VDGAXYAQSA-N 2 0 365.949 3.033 20 0 FGADRP C[C@@H]([NH2+][C@@H](C)CCN1CC[NH+](C)CC1)c1ccc(Br)cc1F ZINC000188485443 496806332 /nfs/dbraw/zinc/80/63/32/496806332.db2.gz ZUTSVMDOBPZMMN-UONOGXRCSA-N 2 0 372.326 3.265 20 0 FGADRP C[C@H]([NH2+]C1CC1)C(=O)N(CCC[NH+](C)C)Cc1ccc(Cl)c(Cl)c1 ZINC000578129525 505869108 /nfs/dbraw/zinc/86/91/08/505869108.db2.gz KKLPRRYWTFRYJI-ZDUSSCGKSA-N 2 0 372.340 3.414 20 0 FGADRP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC[C@H](C)Cn2ccnc2C)C1 ZINC000247370814 496845635 /nfs/dbraw/zinc/84/56/35/496845635.db2.gz FATMIALSCXDFQC-WMZOPIPTSA-N 2 0 363.550 3.027 20 0 FGADRP CC(C)[NH+]1CCC(O)(C[NH2+][C@H](C)CCc2ccc(OC(F)F)cc2)CC1 ZINC000269029812 496853054 /nfs/dbraw/zinc/85/30/54/496853054.db2.gz UCWYMGNCXUDMOG-MRXNPFEDSA-N 2 0 370.484 3.434 20 0 FGADRP C[NH+]1CCC(O)(C[NH2+][C@@H]2CCCc3nc(-c4ccccc4)sc32)CC1 ZINC000269051233 496858767 /nfs/dbraw/zinc/85/87/67/496858767.db2.gz RCEUALUUCIHFEZ-MRXNPFEDSA-N 2 0 357.523 3.234 20 0 FGADRP C[C@H](C[NH2+][C@@H](Cc1ccccc1F)c1ccccc1)N1CC[NH+](C)CC1 ZINC000191722989 496868194 /nfs/dbraw/zinc/86/81/94/496868194.db2.gz DRLIOBAQUDYCFT-GCJKJVERSA-N 2 0 355.501 3.335 20 0 FGADRP O=C(c1ccc(C[NH+]2CCCC2)cc1)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000264432190 496899593 /nfs/dbraw/zinc/89/95/93/496899593.db2.gz LBCBUCNXZTXNSN-OAQYLSRUSA-N 2 0 355.526 3.373 20 0 FGADRP C[C@@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)[C@@H]([NH3+])c1ccccc1 ZINC000269258906 496905795 /nfs/dbraw/zinc/90/57/95/496905795.db2.gz LKYRCCYUMRGBNK-RPHTVSPISA-N 2 0 365.521 3.349 20 0 FGADRP C[N@@H+]1CCC[C@@H]2C[NH+](C[C@@H](O)COc3ccc(Cl)cc3Cl)CC[C@H]21 ZINC000248025636 496943826 /nfs/dbraw/zinc/94/38/26/496943826.db2.gz OTIRCGFGLOGVFS-FRFSOERESA-N 2 0 373.324 3.149 20 0 FGADRP C[C@@H](NCCC[N@@H+]1CCCC[C@H]1C)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000248044535 496947803 /nfs/dbraw/zinc/94/78/03/496947803.db2.gz UNNYWSLGNPTHHE-HUUCEWRRSA-N 2 0 356.507 3.144 20 0 FGADRP C[C@H]([NH2+]C1(CN[C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)CCOCC1)c1ccccc1 ZINC000248158677 496965711 /nfs/dbraw/zinc/96/57/11/496965711.db2.gz RTLXWWHRCSXNDI-YOUFYPILSA-N 2 0 359.558 3.205 20 0 FGADRP CC(C)C[C@H](C)C(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000248389448 496989753 /nfs/dbraw/zinc/98/97/53/496989753.db2.gz GNBMNSRQIHDLOZ-SXLOBPIMSA-N 2 0 351.579 3.464 20 0 FGADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+][C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1 ZINC000569211721 505879722 /nfs/dbraw/zinc/87/97/22/505879722.db2.gz BDJXCLWHEFDKNI-KBRIMQKVSA-N 2 0 357.420 3.414 20 0 FGADRP CCN(CCC[NH+](C)C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000248710351 497084546 /nfs/dbraw/zinc/08/45/46/497084546.db2.gz PYVQPXFXAMSZML-AZUAARDMSA-N 2 0 360.546 3.023 20 0 FGADRP Cc1cc([C@H](C)[NH2+]Cc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)c(C)o1 ZINC000278372959 497092400 /nfs/dbraw/zinc/09/24/00/497092400.db2.gz CJBJKTASECHUMM-OXJNMPFZSA-N 2 0 369.509 3.445 20 0 FGADRP Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@@H]1N2C(=O)C1CC[NH+](C2CC2)CC1 ZINC000278390114 497098093 /nfs/dbraw/zinc/09/80/93/497098093.db2.gz ITUBEMIFWIHMPM-CTNGQTDRSA-N 2 0 353.510 3.004 20 0 FGADRP C[C@@H]1C[C@@H](O)C[C@H](C)[NH+]1Cc1cccc(C[N@H+]2[C@H](C)C[C@@H](O)C[C@@H]2C)c1 ZINC000248828679 497112897 /nfs/dbraw/zinc/11/28/97/497112897.db2.gz KYCGOZJJIXMIQK-VKFKGBHESA-N 2 0 360.542 3.154 20 0 FGADRP C[C@@H]1CC(O)C[C@@H](C)[NH+]1Cc1ccccc1C[NH+]1[C@H](C)CC(O)C[C@H]1C ZINC000248838580 497114974 /nfs/dbraw/zinc/11/49/74/497114974.db2.gz ORFRPZRAZDJICU-BRSBDYLESA-N 2 0 360.542 3.154 20 0 FGADRP CC1CC[NH+]([C@@H](CNC(=O)CCC2CC[NH2+]CC2)c2cccs2)CC1 ZINC000236650756 497127511 /nfs/dbraw/zinc/12/75/11/497127511.db2.gz NHGIXWYLNBSYHC-SFHVURJKSA-N 2 0 363.571 3.417 20 0 FGADRP CC(C)(C)[C@H]([NH3+])C(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000236688777 497132508 /nfs/dbraw/zinc/13/25/08/497132508.db2.gz HKTZCBJLXVJVKF-QGZVFWFLSA-N 2 0 351.922 3.042 20 0 FGADRP CC(C)c1ccc([C@@H]([NH3+])CNC(=O)C2(c3ccccc3)CC[NH2+]CC2)cc1 ZINC000236764130 497142916 /nfs/dbraw/zinc/14/29/16/497142916.db2.gz XMQKHUNEPAAOFG-NRFANRHFSA-N 2 0 365.521 3.247 20 0 FGADRP CC[N@H+](C)Cc1cccc(C[NH2+]Cc2ccc3c(c2)sc(=O)n3C)c1 ZINC000192550186 497147444 /nfs/dbraw/zinc/14/74/44/497147444.db2.gz JQXFFXVOFVQTSV-UHFFFAOYSA-N 2 0 355.507 3.342 20 0 FGADRP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(C[NH2+][C@H]3CCCc4occc43)c2)C1 ZINC000249031838 497151180 /nfs/dbraw/zinc/15/11/80/497151180.db2.gz RIIZVJIKIYXPDJ-QUCCMNQESA-N 2 0 367.493 3.144 20 0 FGADRP CCCC[C@@H](C[NH3+])NC(=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000236845957 497155287 /nfs/dbraw/zinc/15/52/87/497155287.db2.gz WVKZYXFXQUMTRK-FUHWJXTLSA-N 2 0 371.447 3.075 20 0 FGADRP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@H](C[NH3+])c1ccccc1 ZINC000236903718 497165729 /nfs/dbraw/zinc/16/57/29/497165729.db2.gz JRKPMAMXBSMTOU-UNMCSNQZSA-N 2 0 365.521 3.100 20 0 FGADRP CC[NH+](CC)Cc1cccc(C[NH2+]Cc2cnc3c(c2)c(C)nn3C)c1 ZINC000236938661 497171147 /nfs/dbraw/zinc/17/11/47/497171147.db2.gz CQFRLXNRJKVHBR-UHFFFAOYSA-N 2 0 351.498 3.408 20 0 FGADRP C[NH+](C)CCOc1ccc(NC(=O)[C@@H]2[NH2+]CCc3ccccc32)cc1Cl ZINC000236974240 497174593 /nfs/dbraw/zinc/17/45/93/497174593.db2.gz VKUYXEBCCACDGF-LJQANCHMSA-N 2 0 373.884 3.106 20 0 FGADRP C[NH+](C)CCn1ccc2ccc(NC(=O)C[C@@H]([NH3+])c3ccccc3)cc21 ZINC000237000107 497178814 /nfs/dbraw/zinc/17/88/14/497178814.db2.gz VXLAGDMHSVJIGD-LJQANCHMSA-N 2 0 350.466 3.232 20 0 FGADRP C[NH+](C)CCn1ccc2ccc(NC(=O)[C@@H]3C[C@@H]4CCCC[C@@H]4[NH2+]3)cc21 ZINC000237010393 497180108 /nfs/dbraw/zinc/18/01/08/497180108.db2.gz FETJXDYJPVGTNA-WDSOQIARSA-N 2 0 354.498 3.062 20 0 FGADRP CC[NH+]1CCN(c2ccc(NC(=O)C[C@@H](C)[C@@H]3CCC[NH2+]C3)c(C)c2)CC1 ZINC000237009505 497180286 /nfs/dbraw/zinc/18/02/86/497180286.db2.gz ZEMHVADXUBNORF-IEBWSBKVSA-N 2 0 372.557 3.101 20 0 FGADRP O[C@@H]1CC[N@H+](Cc2ccccc2C[NH2+][C@H]2CCC[C@H](C(F)(F)F)C2)C1 ZINC000249393343 497197351 /nfs/dbraw/zinc/19/73/51/497197351.db2.gz SCLRCRBVANOLMM-OKZBNKHCSA-N 2 0 356.432 3.464 20 0 FGADRP CCN(CCC[NH+](C)C)C(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000189668398 497203121 /nfs/dbraw/zinc/20/31/21/497203121.db2.gz YLEUPGQBHFAPFN-SFHVURJKSA-N 2 0 360.546 3.195 20 0 FGADRP Cc1ccccc1C[NH+]1CCC(NC(=O)N(C)CC2([NH+](C)C)CCC2)CC1 ZINC000189700258 497216490 /nfs/dbraw/zinc/21/64/90/497216490.db2.gz GQTPZTGHUMUSIQ-UHFFFAOYSA-N 2 0 372.557 3.085 20 0 FGADRP C[C@H](c1ccccc1Cl)N1CCN(C(=O)c2ccc(C[NH3+])cc2)CC1 ZINC000237437207 497236638 /nfs/dbraw/zinc/23/66/38/497236638.db2.gz SYQOLKHYYHDXJU-OAHLLOKOSA-N 2 0 357.885 3.318 20 0 FGADRP C[C@@H](C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000237479064 497243645 /nfs/dbraw/zinc/24/36/45/497243645.db2.gz GLVMVOWDXJPVGS-HNYYDBCASA-N 2 0 369.553 3.071 20 0 FGADRP C[C@H](CC(=O)N1CC[N@H+](Cc2ccccc2)C(C)(C)C1)[C@@H]1CCC[NH2+]C1 ZINC000237568103 497256795 /nfs/dbraw/zinc/25/67/95/497256795.db2.gz ZMVYGXUBSUSSEE-UYAOXDASSA-N 2 0 357.542 3.135 20 0 FGADRP Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)[C@@H]([NH3+])c1ccccc1 ZINC000237591243 497260171 /nfs/dbraw/zinc/26/01/71/497260171.db2.gz JDVGNEQDNDTHGY-IBGZPJMESA-N 2 0 355.507 3.182 20 0 FGADRP C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)NC[C@@]1(C)CCC[NH+]1Cc1ccccc1 ZINC000252007106 497294045 /nfs/dbraw/zinc/29/40/45/497294045.db2.gz XWVMPXZMLUZFNB-SYYKKAFVSA-N 2 0 372.557 3.023 20 0 FGADRP [NH3+][C@@H](Cc1ccccc1)C(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000237808351 497294459 /nfs/dbraw/zinc/29/44/59/497294459.db2.gz QBEJJCQIDOPYHF-QFIPXVFZSA-N 2 0 365.521 3.249 20 0 FGADRP O[C@H]1CC[N@H+](Cc2ccccc2C[NH2+]Cc2cnc(-c3ccco3)s2)C1 ZINC000193207042 497323836 /nfs/dbraw/zinc/32/38/36/497323836.db2.gz BEUCHDBQAWWQCH-KRWDZBQOSA-N 2 0 369.490 3.260 20 0 FGADRP C[C@H]1CC[C@H](C)[NH+]1CCN1CC[NH+](CCCc2ccc3c(c2)CCO3)CC1 ZINC000193242458 497332401 /nfs/dbraw/zinc/33/24/01/497332401.db2.gz QHODBSMULQFQEK-PMACEKPBSA-N 2 0 371.569 3.045 20 0 FGADRP O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000238055150 497334260 /nfs/dbraw/zinc/33/42/60/497334260.db2.gz IGXKPOVSHQSWSS-ACRUOGEOSA-N 2 0 355.526 3.209 20 0 FGADRP COc1ccc2c(c1)[C@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)CCC2 ZINC000271517366 497369520 /nfs/dbraw/zinc/36/95/20/497369520.db2.gz NYJISQMPRPUUST-HXUWFJFHSA-N 2 0 355.482 3.198 20 0 FGADRP C[C@H]([NH2+]CCCCCCC[NH+]1CCCC1)c1ccc(S(N)(=O)=O)cc1 ZINC000271618826 497400374 /nfs/dbraw/zinc/40/03/74/497400374.db2.gz BNNLAWXKEBVOFH-KRWDZBQOSA-N 2 0 367.559 3.031 20 0 FGADRP O=C(NC[C@@H]1CCCN(Cc2cc(Cl)ccc2Cl)C1)[C@@H]1CCC[NH2+]1 ZINC000261626343 497422307 /nfs/dbraw/zinc/42/23/07/497422307.db2.gz GSPIFMSELBLGGN-GUYCJALGSA-N 2 0 370.324 3.074 20 0 FGADRP CN1CCC([NH+]2CCC(CC[N@H+](C)Cc3cccc4c3NCC4)CC2)CC1 ZINC000261656239 497428748 /nfs/dbraw/zinc/42/87/48/497428748.db2.gz BHVQWGKWVHWQBJ-UHFFFAOYSA-N 2 0 370.585 3.283 20 0 FGADRP C[NH2+]CCc1ccccc1C(=O)N[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261754399 497445770 /nfs/dbraw/zinc/44/57/70/497445770.db2.gz NGPBVFHUCFETES-GHTZIAJQSA-N 2 0 365.521 3.089 20 0 FGADRP Brc1cccc(C[N@H+](CC2CC[NH2+]CC2)C2CCOCC2)c1 ZINC000261773861 497448467 /nfs/dbraw/zinc/44/84/67/497448467.db2.gz DWIPUBFZHQSLNR-UHFFFAOYSA-N 2 0 367.331 3.430 20 0 FGADRP CCOc1cc(C[NH2+]CC2=CC[N@H+](C)CC2)ccc1OCC(F)(F)F ZINC000271785282 497449202 /nfs/dbraw/zinc/44/92/02/497449202.db2.gz FLBUWNLCZOIQFV-UHFFFAOYSA-N 2 0 358.404 3.378 20 0 FGADRP Cc1ccccc1Cc1noc(CN2CC[C@H](C)[C@@H](n3ccnc3)C2)n1 ZINC000245555994 497453529 /nfs/dbraw/zinc/45/35/29/497453529.db2.gz AHODMHBAXATJKA-WMZOPIPTSA-N 2 0 351.454 3.248 20 0 FGADRP C[NH+]1CCN(c2cc(C[NH2+][C@@H](c3ccc(F)cc3)C3CC3)ccn2)CC1 ZINC000271878792 497478120 /nfs/dbraw/zinc/47/81/20/497478120.db2.gz SEZXPUAGPUYJKZ-OAQYLSRUSA-N 2 0 354.473 3.213 20 0 FGADRP COc1ccc(C[C@@H](C)[NH2+]CC2(SC)CC[NH+](C)CC2)cc1OC ZINC000581102241 505909545 /nfs/dbraw/zinc/90/95/45/505909545.db2.gz WUBUOBAFAZJALP-OAHLLOKOSA-N 2 0 352.544 3.052 20 0 FGADRP Cc1ncsc1CN(C)C[C@@H]1CC[N@H+](Cc2ccc3c[nH]nc3c2)C1 ZINC000190456560 497485877 /nfs/dbraw/zinc/48/58/77/497485877.db2.gz XEYFURRSOVBCRY-INIZCTEOSA-N 2 0 355.511 3.282 20 0 FGADRP C[NH2+]CCC1CC[NH+](CC(=O)N(C)Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000261993792 497489061 /nfs/dbraw/zinc/48/90/61/497489061.db2.gz MZNBXBPGOYCDMN-UHFFFAOYSA-N 2 0 372.340 3.273 20 0 FGADRP CC(C)[C@H](C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)N1CCOCC1 ZINC000245759902 497531447 /nfs/dbraw/zinc/53/14/47/497531447.db2.gz VKQQDVNHMYMNAX-GPJHCHHRSA-N 2 0 371.569 3.128 20 0 FGADRP Brc1ccc(C2CC([NH2+]CCCC[NH+]3CCOCC3)C2)cc1 ZINC000193976528 497537140 /nfs/dbraw/zinc/53/71/40/497537140.db2.gz LNWFRJBYHWGUKL-UHFFFAOYSA-N 2 0 367.331 3.397 20 0 FGADRP CC[NH+](CC)Cc1cccc(CNC(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])c1 ZINC000262321890 497539716 /nfs/dbraw/zinc/53/97/16/497539716.db2.gz QKLOTKFXYMACRY-WHSGIHJSSA-N 2 0 357.542 3.298 20 0 FGADRP O=C([C@@H]1CCC[N@@H+]1Cc1ccccc1)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000245917123 497569994 /nfs/dbraw/zinc/56/99/94/497569994.db2.gz LDXNMQYVUMPWRJ-RTWAWAEBSA-N 2 0 355.526 3.128 20 0 FGADRP O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)c1ccc2c(c1)CC[NH2+]CC2 ZINC000276465794 497581085 /nfs/dbraw/zinc/58/10/85/497581085.db2.gz AWXWDKNVQQJILT-IBGZPJMESA-N 2 0 369.534 3.003 20 0 FGADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NCc1ccccc1C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000569357226 505916106 /nfs/dbraw/zinc/91/61/06/505916106.db2.gz AGHHJERAPGQOKR-USNOLKROSA-N 2 0 357.542 3.169 20 0 FGADRP CCO[C@@H]1C[C@H]([NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)C12CCCCC2 ZINC000245971097 497586913 /nfs/dbraw/zinc/58/69/13/497586913.db2.gz ZSCLKWUKCNPEOW-XSDIEEQYSA-N 2 0 364.574 3.472 20 0 FGADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)NCc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000569357225 505916358 /nfs/dbraw/zinc/91/63/58/505916358.db2.gz AGHHJERAPGQOKR-OVQGTLEDSA-N 2 0 357.542 3.169 20 0 FGADRP Cc1ccc([C@@H]([NH3+])C(=O)Nc2cccc(C[NH+]3CCSCC3)c2)cc1 ZINC000262645145 497591217 /nfs/dbraw/zinc/59/12/17/497591217.db2.gz JWWOMNOTXSDBSW-LJQANCHMSA-N 2 0 355.507 3.182 20 0 FGADRP C[C@H]1C[C@H](N(C)C(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[N@@H+]1Cc1ccccc1 ZINC000262676514 497597778 /nfs/dbraw/zinc/59/77/78/497597778.db2.gz SOVBVZNYXKSMGC-OGAVPMENSA-N 2 0 369.553 3.419 20 0 FGADRP C[C@@H](C(=O)NCC(C)(C)[N@@H+]1CCc2ccccc2C1)[C@H]([NH3+])c1ccccc1 ZINC000262677349 497597848 /nfs/dbraw/zinc/59/78/48/497597848.db2.gz UNQGDWOERATGLM-UTKZUKDTSA-N 2 0 365.521 3.276 20 0 FGADRP CCc1ccccc1[C@@H]([NH3+])CNC(=O)N1CCC(C[N@H+](C)C(C)C)CC1 ZINC000578336053 505917604 /nfs/dbraw/zinc/91/76/04/505917604.db2.gz CMXOBIXTWAHMCJ-FQEVSTJZSA-N 2 0 360.546 3.011 20 0 FGADRP C([NH2+][C@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)[C@H]1CC[C@@H](c2nc(C3CC3)no2)O1 ZINC000569349578 505914347 /nfs/dbraw/zinc/91/43/47/505914347.db2.gz PKAPVBSJMFLQAQ-DZVNLGKHSA-N 2 0 360.502 3.068 20 0 FGADRP C[C@]([NH3+])(C(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)c1ccccc1 ZINC000262870876 497643570 /nfs/dbraw/zinc/64/35/70/497643570.db2.gz MHYQBDKTPMTCCI-OAQYLSRUSA-N 2 0 371.912 3.295 20 0 FGADRP C[C@@]1(O)CCC[N@H+](Cc2cccc(C[NH+]3CCC[C@](C)(O)CC3)c2)CC1 ZINC000280088616 497645211 /nfs/dbraw/zinc/64/52/11/497645211.db2.gz OGOXFUOELVDVHI-SZPZYZBQSA-N 2 0 360.542 3.160 20 0 FGADRP CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C[C@@H]([NH3+])c1ccccc1 ZINC000246241129 497672600 /nfs/dbraw/zinc/67/26/00/497672600.db2.gz DGAFEDINOUWMMK-TZIWHRDSSA-N 2 0 351.494 3.057 20 0 FGADRP C[C@@H]1C[C@H](NC(=O)[C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)CC[N@@H+]1Cc1ccccc1 ZINC000246278417 497680531 /nfs/dbraw/zinc/68/05/31/497680531.db2.gz MHZNEGNRDOVNAB-MLZLACJZSA-N 2 0 355.526 3.076 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NCCCC[NH+]2CCCC[C@H]2C)[C@@H](C)C1 ZINC000246312998 497692200 /nfs/dbraw/zinc/69/22/00/497692200.db2.gz BMJHUNASDHWWHL-OTWHNJEPSA-N 2 0 352.567 3.013 20 0 FGADRP CC(=O)NC1CCC([NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000272730603 497715079 /nfs/dbraw/zinc/71/50/79/497715079.db2.gz ZRHSHRQBIXVHEK-FQUXPLTJSA-N 2 0 369.553 3.324 20 0 FGADRP O=C(CCC1CC[NH2+]CC1)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000263177705 497724794 /nfs/dbraw/zinc/72/47/94/497724794.db2.gz GIZLHKDVYFYUBP-UHFFFAOYSA-N 2 0 365.521 3.264 20 0 FGADRP COc1ccc(NC(=O)CC[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)cc1Cl ZINC000277046026 497725549 /nfs/dbraw/zinc/72/55/49/497725549.db2.gz CCEMYGMPFRUOTE-OAHLLOKOSA-N 2 0 353.894 3.093 20 0 FGADRP CC(=O)c1ccc(NC(=O)CCN2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000246423526 497729484 /nfs/dbraw/zinc/72/94/84/497729484.db2.gz CGIFGKQXOYPLJX-RXVVDRJESA-N 2 0 369.509 3.167 20 0 FGADRP CC[NH+](CC)[C@H](C)CNC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000246434039 497733805 /nfs/dbraw/zinc/73/38/05/497733805.db2.gz HDSLNCVXMCLCNU-NSHGMRRFSA-N 2 0 360.546 3.069 20 0 FGADRP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)c1ccc2c(c1)OCCCO2 ZINC000246462956 497741860 /nfs/dbraw/zinc/74/18/60/497741860.db2.gz PYJVVCBKOYFVOK-PWIZWCRZSA-N 2 0 374.525 3.266 20 0 FGADRP C[C@H](C(=O)N1c2ccccc2C[C@@H]1C)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000194739654 497754656 /nfs/dbraw/zinc/75/46/56/497754656.db2.gz KINPLWMQIQNHPX-ZWKOTPCHSA-N 2 0 355.526 3.161 20 0 FGADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)[C@@H](C)C1 ZINC000246503575 497756393 /nfs/dbraw/zinc/75/63/93/497756393.db2.gz SSZNSNGFPHGYGN-GHTZIAJQSA-N 2 0 372.557 3.154 20 0 FGADRP CC[C@@H]([NH2+]C1CC[NH+](C(C)C)CC1)[C@@H](c1ccc(C)cc1)n1cncn1 ZINC000272988235 497778759 /nfs/dbraw/zinc/77/87/59/497778759.db2.gz WFWZFRSQETZPGP-NHCUHLMSSA-N 2 0 355.530 3.417 20 0 FGADRP C[NH+](C)[C@@H]1CCC[N@H+](CCC(=O)Nc2ccccc2Br)CC1 ZINC000277260704 497790027 /nfs/dbraw/zinc/79/00/27/497790027.db2.gz QYMULSVJBVWYPZ-CQSZACIVSA-N 2 0 368.319 3.194 20 0 FGADRP C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2[NH2+]CCc3ccccc32)[C@@H]1c1cccs1 ZINC000246729273 497805269 /nfs/dbraw/zinc/80/52/69/497805269.db2.gz YDVQGKHRZROMCK-NSISKUIASA-N 2 0 369.534 3.134 20 0 FGADRP COc1cc(C[NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)cc(OC)c1O ZINC000263736035 497811976 /nfs/dbraw/zinc/81/19/76/497811976.db2.gz CQNNPOWDEZFMAN-UHFFFAOYSA-N 2 0 356.466 3.295 20 0 FGADRP C[NH+]1CCC(O)(C[NH2+][C@H]2CCC[C@@H]2c2cccc(C(F)(F)F)c2)CC1 ZINC000284548372 497825499 /nfs/dbraw/zinc/82/54/99/497825499.db2.gz XVNPTCCIGBQDCT-SJORKVTESA-N 2 0 356.432 3.388 20 0 FGADRP Cc1cn2c(n1)CC[C@H]([NH2+][C@@H]1C[C@H]3CC[C@@H](C1)[N@H+]3Cc1ccccc1)C2 ZINC000364242263 497857987 /nfs/dbraw/zinc/85/79/87/497857987.db2.gz GNECIWDUYIEPCB-XSDIEEQYSA-N 2 0 350.510 3.292 20 0 FGADRP COc1ccc([C@H](C)[C@@H](C)[NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)cc1OC ZINC000280771752 497892460 /nfs/dbraw/zinc/89/24/60/497892460.db2.gz FDZYGPUQLYIALU-ZHALLVOQSA-N 2 0 364.530 3.022 20 0 FGADRP C[C@H]([NH2+]CCc1cnc(C2CC2)nc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000364357378 497916992 /nfs/dbraw/zinc/91/69/92/497916992.db2.gz RMQPRXLNLIHJDV-LAUBAEHRSA-N 2 0 350.510 3.397 20 0 FGADRP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)NCc1ccccc1C[NH+]1CCC(C)CC1 ZINC000578475934 505948686 /nfs/dbraw/zinc/94/86/86/505948686.db2.gz PPLOPRRNERMYEV-LJQANCHMSA-N 2 0 374.573 3.446 20 0 FGADRP C[NH+](C)CCN(CC[NH+](C)C)Cc1cc(Cl)ccc1Br ZINC000581277615 505949135 /nfs/dbraw/zinc/94/91/35/505949135.db2.gz HZSWYLYVADCYBN-UHFFFAOYSA-N 2 0 362.743 3.028 20 0 FGADRP CCCC[N@H+](C)C[C@H](C)NC(=O)N(Cc1ccco1)C1CC[NH+](C)CC1 ZINC000292241408 497936365 /nfs/dbraw/zinc/93/63/65/497936365.db2.gz UXRVMHWMOHULQV-KRWDZBQOSA-N 2 0 364.534 3.006 20 0 FGADRP Cc1c([C@H](C)[NH2+]C[C@H]2CCCN(C)[C@H]2c2cnn(C)c2)cnn1C(C)(C)C ZINC000364437636 497957437 /nfs/dbraw/zinc/95/74/37/497957437.db2.gz DFYVIFPMKMHTCL-XAUMDUMWSA-N 2 0 372.561 3.414 20 0 FGADRP O[C@H](C[NH2+]C[C@H]1CCCC[N@H+](Cc2ccccc2)C1)Cc1ccccc1 ZINC000578500165 505955318 /nfs/dbraw/zinc/95/53/18/505955318.db2.gz OWLUARAZEXLYLO-PKTZIBPZSA-N 2 0 352.522 3.482 20 0 FGADRP CC1(C)C(=O)N[C@H]1C1CC[NH+](Cc2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC000581318745 505960318 /nfs/dbraw/zinc/96/03/18/505960318.db2.gz GVWKCTRNLWUFAB-NRFANRHFSA-N 2 0 369.553 3.409 20 0 FGADRP COc1c(O)cccc1C[NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000285126135 498000310 /nfs/dbraw/zinc/00/03/10/498000310.db2.gz NYUYITXVPOYZDU-UHFFFAOYSA-N 2 0 356.466 3.164 20 0 FGADRP C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCCC[N@@H+]2Cc2ccc(-n3ccnc3)nc2)C1 ZINC000281077377 498011777 /nfs/dbraw/zinc/01/17/77/498011777.db2.gz UFBKNOOEYUJCNG-AFYVEPGGSA-N 2 0 354.498 3.419 20 0 FGADRP C[N@@H+]1CCN(CCC[NH2+][C@H]2CCOC3(CCC3)C2)[C@H](c2ccccc2)C1 ZINC000296398027 498027164 /nfs/dbraw/zinc/02/71/64/498027164.db2.gz LKGXTGHLQZBPSR-SFTDATJTSA-N 2 0 357.542 3.057 20 0 FGADRP Cc1cccc(OC[C@@H](O)C[NH2+]CC2CC[NH+](Cc3cccs3)CC2)c1 ZINC000575377352 505969733 /nfs/dbraw/zinc/96/97/33/505969733.db2.gz MHQZTCGBKSNGTB-IBGZPJMESA-N 2 0 374.550 3.298 20 0 FGADRP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)NC[C@H]1CCC[NH+](C)[C@H]1c1cccs1 ZINC000581403061 505980275 /nfs/dbraw/zinc/98/02/75/505980275.db2.gz ZCQPLXDXDVAXFE-JFIYKMOQSA-N 2 0 366.575 3.159 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)c1ccccc1CC[NH3+])c1cccc(OC)c1 ZINC000572492723 505982080 /nfs/dbraw/zinc/98/20/80/505982080.db2.gz QKKOACUXMWCIQM-NRFANRHFSA-N 2 0 369.509 3.009 20 0 FGADRP CN1CC[NH+](CC2CC[NH+](Cc3cccc(-c4cccnc4)c3)CC2)CC1 ZINC000289484097 498164374 /nfs/dbraw/zinc/16/43/74/498164374.db2.gz QVEAOIODOVBXTP-UHFFFAOYSA-N 2 0 364.537 3.208 20 0 FGADRP CC(C)[C@H](CNC(=O)C1CC[NH+](C2CC2)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000569674452 505989899 /nfs/dbraw/zinc/98/98/99/505989899.db2.gz PZCBPNCCEAZIPN-QFIPXVFZSA-N 2 0 369.553 3.060 20 0 FGADRP COC(=O)c1cc2c(o1)c(OC)ccc2C[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000569693485 505995326 /nfs/dbraw/zinc/99/53/26/505995326.db2.gz OILITPWIXBYUKD-CABCVRRESA-N 2 0 372.465 3.050 20 0 FGADRP C[N@@H+]1CC[C@H](NC(=O)c2ccc(C[NH+]3CCCC3)cc2)[C@@H]1c1ccccc1 ZINC000569701030 505996847 /nfs/dbraw/zinc/99/68/47/505996847.db2.gz QJBPXSUOFMEZEE-VXKWHMMOSA-N 2 0 363.505 3.458 20 0 FGADRP Cc1cc(NCc2ccc(N3CC[NH+](C)CC3)nc2)c2cc(F)ccc2[nH+]1 ZINC000301679621 498220233 /nfs/dbraw/zinc/22/02/33/498220233.db2.gz RKLHXHCTFSSNQA-UHFFFAOYSA-N 2 0 365.456 3.441 20 0 FGADRP C[C@H]([NH2+][C@@H]1C[C@@H](CO)c2ccccc21)c1cccc(OCC[NH+](C)C)c1 ZINC000364951864 498224996 /nfs/dbraw/zinc/22/49/96/498224996.db2.gz ICQHARGCDCLQIV-SGXKBVARSA-N 2 0 354.494 3.499 20 0 FGADRP CC[NH+]1CCN(CCC[NH2+]C2CCC([N@H+](C)Cc3ccccc3)CC2)CC1 ZINC000285887202 498230723 /nfs/dbraw/zinc/23/07/23/498230723.db2.gz ZUKGSOZOJFBREO-UHFFFAOYSA-N 3 0 372.601 3.047 20 0 FGADRP CCn1ccnc1[C@H]1OCC[C@@H]1[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000289799210 498299352 /nfs/dbraw/zinc/29/93/52/498299352.db2.gz SFKRKEFFPMAKGP-NRDMVMEKSA-N 2 0 368.525 3.233 20 0 FGADRP CC[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)c1ccc(C(=O)OC)cc1 ZINC000293248439 498321457 /nfs/dbraw/zinc/32/14/57/498321457.db2.gz BLIHVSUSWYHTDJ-OXQOHEQNSA-N 2 0 360.498 3.015 20 0 FGADRP C[C@@H](C[NH+]1CCC(C(=O)NCCC[NH+]2CCCC2)CC1)c1ccccc1 ZINC000289858244 498326075 /nfs/dbraw/zinc/32/60/75/498326075.db2.gz QKJMQEKVDVLNCG-IBGZPJMESA-N 2 0 357.542 3.104 20 0 FGADRP O=C(Nc1cccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)c1)[C@@H]1CCCO1 ZINC000575795123 506006315 /nfs/dbraw/zinc/00/63/15/506006315.db2.gz VVWHFEXVVOSUSX-MHTWAQMVSA-N 2 0 371.525 3.205 20 0 FGADRP C[C@H]1CCN(C(=O)NCc2ccccc2C[NH+]2CCCCCC2)C[C@H]1C[NH3+] ZINC000575853128 506018083 /nfs/dbraw/zinc/01/80/83/506018083.db2.gz BDFWPGSUCPSJPZ-GHTZIAJQSA-N 2 0 372.557 3.189 20 0 FGADRP O=C(NCc1ccc(C[NH+]2CCCC2)cc1)NC1CC[NH+](C2CCC2)CC1 ZINC000297215617 498362462 /nfs/dbraw/zinc/36/24/62/498362462.db2.gz YWOXFRIEUIUKRI-UHFFFAOYSA-N 2 0 370.541 3.099 20 0 FGADRP C[C@H](NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)[C@@H](c1ccccc1)[NH+](C)C ZINC000578806398 506024835 /nfs/dbraw/zinc/02/48/35/506024835.db2.gz OPXSPOLXWYGATM-CUWPLCDZSA-N 2 0 357.542 3.449 20 0 FGADRP CC(C)[NH2+]CC(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000569826219 506025943 /nfs/dbraw/zinc/02/59/43/506025943.db2.gz RJHWYSJMMUMGHR-QAPCUYQASA-N 2 0 371.447 3.203 20 0 FGADRP CCC[N@H+](C)[C@H](CNC(=O)C1CC[NH+](C)CC1)c1ccc(Cl)cc1 ZINC000286477715 498410467 /nfs/dbraw/zinc/41/04/67/498410467.db2.gz VAWIBXWBDKBEHQ-GOSISDBHSA-N 2 0 351.922 3.181 20 0 FGADRP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)NCC[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000569846275 506029673 /nfs/dbraw/zinc/02/96/73/506029673.db2.gz HQDQXWGNNBYNQP-RBUKOAKNSA-N 2 0 372.557 3.243 20 0 FGADRP C[C@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)c1cc(Br)cs1 ZINC000282185408 498416304 /nfs/dbraw/zinc/41/63/04/498416304.db2.gz FYBJCODEULOGJG-LBPRGKRZSA-N 2 0 360.365 3.187 20 0 FGADRP CN(C(=O)c1cccc(-n2ccnc2)c1)C1CCN(c2cc[nH+]cc2)CC1 ZINC000365370069 498428037 /nfs/dbraw/zinc/42/80/37/498428037.db2.gz ALYSDXDHKRARQX-UHFFFAOYSA-N 2 0 361.449 3.008 20 0 FGADRP COCc1ccccc1NC(=[NH2+])NC[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000361785040 498430641 /nfs/dbraw/zinc/43/06/41/498430641.db2.gz RDKJJNRZPUBEPU-GOSISDBHSA-N 2 0 367.497 3.076 20 0 FGADRP CC(C)(C(=O)N1CCC[N@H+](Cc2ccccc2)CC1)[C@@H]([NH3+])c1ccccc1 ZINC000578862833 506039935 /nfs/dbraw/zinc/03/99/35/506039935.db2.gz AGKUHXJBVACRFI-NRFANRHFSA-N 2 0 365.521 3.447 20 0 FGADRP [NH3+][C@@H]1CCC[C@H](CNC(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)C1 ZINC000572737975 506041008 /nfs/dbraw/zinc/04/10/08/506041008.db2.gz ZQKUMPBIZAYFKP-PZJWPPBQSA-N 2 0 372.557 3.379 20 0 FGADRP C[N@H+](CCC[NH+]1CCCC1)CC1CCN(C(=O)Nc2ccccc2)CC1 ZINC000362641817 498530552 /nfs/dbraw/zinc/53/05/52/498530552.db2.gz SAGQDIOSLDAPDH-UHFFFAOYSA-N 2 0 358.530 3.348 20 0 FGADRP CC[C@H]1CC[C@@H](C)[N@@H+]1CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000578921155 506051944 /nfs/dbraw/zinc/05/19/44/506051944.db2.gz LMIBHEJEMUNLNW-NQIIRXRSSA-N 2 0 357.542 3.339 20 0 FGADRP COc1ccc(OC(F)F)c(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000297718512 498546838 /nfs/dbraw/zinc/54/68/38/498546838.db2.gz RPOXWDXMGBPONZ-UHFFFAOYSA-N 2 0 363.408 3.450 20 0 FGADRP FC(F)(F)c1cccnc1OCC[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000297737022 498553122 /nfs/dbraw/zinc/55/31/22/498553122.db2.gz SRYVXMJDJAGUEY-UHFFFAOYSA-N 2 0 366.387 3.133 20 0 FGADRP CC(C)c1nc(N2CCC[C@H](C[NH+]3CCOCC3)C2)cc(C(C)(C)C)n1 ZINC000302753278 498559796 /nfs/dbraw/zinc/55/97/96/498559796.db2.gz HUDPKHNYOFSSRQ-QGZVFWFLSA-N 2 0 360.546 3.446 20 0 FGADRP CN1CC[C@@H]([NH2+]C2CCN(c3cc[nH+]cc3)CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000297782908 498566767 /nfs/dbraw/zinc/56/67/67/498566767.db2.gz WISRIBDLMMMQSL-NHCUHLMSSA-N 2 0 372.463 3.364 20 0 FGADRP c1[nH]c2nccnc2c1C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000365671129 498590250 /nfs/dbraw/zinc/59/02/50/498590250.db2.gz YQXAFYKVPWIXKM-UHFFFAOYSA-N 2 0 361.493 3.398 20 0 FGADRP C[N@@H+]1CCN(CC[NH2+][C@H]2CCc3sc(Br)cc32)CC1(C)C ZINC000294120430 498594705 /nfs/dbraw/zinc/59/47/05/498594705.db2.gz KRKOZNDTYHUMTD-ZDUSSCGKSA-N 2 0 372.376 3.114 20 0 FGADRP CC[NH+](CC)CCNC(=O)C1CC[NH+](Cc2ccc(Cl)s2)CC1 ZINC000363060408 498628444 /nfs/dbraw/zinc/62/84/44/498628444.db2.gz UKMCSCIKLWEKGQ-UHFFFAOYSA-N 2 0 357.951 3.072 20 0 FGADRP COc1c(C)cc(C[NH2+]C[C@@H]2CCCN(C)[C@@H]2c2cnn(C)c2)cc1C ZINC000363177848 498689057 /nfs/dbraw/zinc/68/90/57/498689057.db2.gz ZBDIOPILZORBNQ-ICSRJNTNSA-N 2 0 356.514 3.218 20 0 FGADRP CC(C)[NH+]1CCC(NC(=O)N2CCC(C[NH+]3CCC(C)CC3)CC2)CC1 ZINC000363213545 498706671 /nfs/dbraw/zinc/70/66/71/498706671.db2.gz YHMQYJXDTFOIEA-UHFFFAOYSA-N 2 0 364.578 3.013 20 0 FGADRP O=C(OCc1ccccc1)N1CCC([NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000303987680 498733198 /nfs/dbraw/zinc/73/31/98/498733198.db2.gz LYOSIEWEFOKDMI-WOJBJXKFSA-N 2 0 357.498 3.004 20 0 FGADRP O[C@H](C[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1)COc1ccccc1Cl ZINC000311424428 498752280 /nfs/dbraw/zinc/75/22/80/498752280.db2.gz FQZZBEBSUQEYHA-RTBURBONSA-N 2 0 374.912 3.191 20 0 FGADRP COC(=O)c1ccc(C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000312851487 498764624 /nfs/dbraw/zinc/76/46/24/498764624.db2.gz GHHKCDAJINKJOQ-VXKWHMMOSA-N 2 0 364.489 3.427 20 0 FGADRP O=C(Nc1ccc2c(c1)C[NH2+]CCO2)c1cccc(C[NH+]2CCCC2)c1 ZINC000291047783 498772473 /nfs/dbraw/zinc/77/24/73/498772473.db2.gz JDCOGGKWICCRMT-UHFFFAOYSA-N 2 0 351.450 3.017 20 0 FGADRP CC(C)[C@@H](Cn1cccn1)[NH2+]CCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000581934292 506093971 /nfs/dbraw/zinc/09/39/71/506093971.db2.gz FPEXPGOAFIQDJX-JOCHJYFZSA-N 2 0 369.557 3.100 20 0 FGADRP OC1(CC[NH2+][C@@H]2CCCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CCOCC1 ZINC000287692506 498839192 /nfs/dbraw/zinc/83/91/92/498839192.db2.gz WTLMVABSGNTKKF-BHDDXSALSA-N 2 0 372.553 3.198 20 0 FGADRP C[NH+](C)Cc1ccccc1C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000366254513 498843817 /nfs/dbraw/zinc/84/38/17/498843817.db2.gz IHLGJPDIILQBKA-LJQANCHMSA-N 2 0 351.494 3.000 20 0 FGADRP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2ccccc2CC2CC[NH2+]CC2)C1 ZINC000579125620 506100008 /nfs/dbraw/zinc/10/00/08/506100008.db2.gz OFZWSSOAAUJYQV-SFHVURJKSA-N 2 0 371.569 3.469 20 0 FGADRP COCc1cccc(C[N@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)c1 ZINC000363510384 498854673 /nfs/dbraw/zinc/85/46/73/498854673.db2.gz OCMYDPABAAFFIM-UHFFFAOYSA-N 2 0 373.585 3.461 20 0 FGADRP CC(C)[C@@H]1OCCC[C@@H]1Nc1cc(N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)ncn1 ZINC000332991910 498860792 /nfs/dbraw/zinc/86/07/92/498860792.db2.gz ABWTWSXDYPNQRM-NTLWEQJWSA-N 2 0 373.545 3.013 20 0 FGADRP CC(C)C[C@H](CNC(=O)CCc1cncn1C)[NH2+][C@H](C)c1ccccc1 ZINC000283382951 498869244 /nfs/dbraw/zinc/86/92/44/498869244.db2.gz MVSABDOIEQPSAK-IEBWSBKVSA-N 2 0 356.514 3.234 20 0 FGADRP CC1CCC([NH+]2CCC(N(C)C(=O)CC3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)CC1 ZINC000366321071 498873177 /nfs/dbraw/zinc/87/31/77/498873177.db2.gz GHTAGRSRUCAQGR-KXDGDBGWSA-N 2 0 361.574 3.409 20 0 FGADRP Cc1cc(C)c(NC(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)c(C)n1 ZINC000333058379 498885461 /nfs/dbraw/zinc/88/54/61/498885461.db2.gz CUIVLQDLDXHSKM-UHFFFAOYSA-N 2 0 374.529 3.411 20 0 FGADRP C[C@@H]([N@H+](C)Cc1ccc(F)c(C[NH+](C)[C@@H](C)C(C)(C)O)c1)C(C)(C)O ZINC000295091955 498905826 /nfs/dbraw/zinc/90/58/26/498905826.db2.gz FJTFAYAOTWRWNN-CABCVRRESA-N 2 0 354.510 3.008 20 0 FGADRP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC000576240184 506111219 /nfs/dbraw/zinc/11/12/19/506111219.db2.gz UTCPEICZAXYKME-GOSISDBHSA-N 2 0 353.510 3.041 20 0 FGADRP Fc1ccc([C@@H]2OCC[C@@H]2[NH2+]C2CCN(c3cc[nH+]cc3)CC2)cc1F ZINC000291422621 498934692 /nfs/dbraw/zinc/93/46/92/498934692.db2.gz ICWXHUFJQAKCOL-PMACEKPBSA-N 2 0 359.420 3.448 20 0 FGADRP COc1cc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)ccc1OCc1ccncc1 ZINC000573090499 506116697 /nfs/dbraw/zinc/11/66/97/506116697.db2.gz GAUNBNGZCMRWMB-BGYRXZFFSA-N 2 0 367.493 3.101 20 0 FGADRP C[N@@H+]1CC[C@@]2(CC[NH+](CC[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)C2)C1 ZINC000366532915 498968485 /nfs/dbraw/zinc/96/84/85/498968485.db2.gz GCRILSJTDRJVIX-FXAWDEMLSA-N 2 0 351.535 3.051 20 0 FGADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@H](C)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000288221509 498970118 /nfs/dbraw/zinc/97/01/18/498970118.db2.gz SBNWZRXGXVLEPQ-WSTZPKSXSA-N 2 0 360.546 3.051 20 0 FGADRP C[C@@H]1[C@@H](NC(=O)c2cccc(Cn3ccnc3)c2)CC[N@@H+]1Cc1ccccc1 ZINC000288265410 498980762 /nfs/dbraw/zinc/98/07/62/498980762.db2.gz PLQNPYWETWNEED-GCJKJVERSA-N 2 0 374.488 3.324 20 0 FGADRP C[C@H](NC(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1)[C@H](c1ccccc1)[NH+](C)C ZINC000288309141 498991532 /nfs/dbraw/zinc/99/15/32/498991532.db2.gz XFINGXWAOYIGQJ-DZFGPLHGSA-N 2 0 372.557 3.051 20 0 FGADRP O=C(Nc1ccc2c(c1)C[NH2+]CCO2)NC1CC[NH+](C2CCCCC2)CC1 ZINC000333403197 498999171 /nfs/dbraw/zinc/99/91/71/498999171.db2.gz YXZRAOMEEGCOCL-UHFFFAOYSA-N 2 0 372.513 3.087 20 0 FGADRP CC[C@@H](C)[N@H+](C)CCNC(=O)N1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000576301532 506125328 /nfs/dbraw/zinc/12/53/28/506125328.db2.gz ZXSRUJIXQMPYMF-DENIHFKCSA-N 2 0 372.557 3.024 20 0 FGADRP COC(=O)C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(OC3CC[NH+](C)CC3)cc2)[C@H]1C ZINC000283862799 499002244 /nfs/dbraw/zinc/00/22/44/499002244.db2.gz GJWYRJVJCZKSPA-DJPFJPOOSA-N 2 0 374.525 3.227 20 0 FGADRP COC(=O)C[C@@H]1CC[C@H]([NH2+]Cc2ccc(OC3CC[NH+](C)CC3)cc2)[C@H]1C ZINC000283862804 499002318 /nfs/dbraw/zinc/00/23/18/499002318.db2.gz GJWYRJVJCZKSPA-MDKPJZGXSA-N 2 0 374.525 3.227 20 0 FGADRP C[C@H]1CC2(C[N@@H+]1Cc1nc3sc4c(c3c(N)n1)CCCC4)CC[NH2+]CC2 ZINC000333460808 499009565 /nfs/dbraw/zinc/00/95/65/499009565.db2.gz GKYIMFCPYFLNBT-ZDUSSCGKSA-N 2 0 371.554 3.116 20 0 FGADRP C[C@H](NC(=O)N1CC(C)(C)[C@H]1c1nccn1C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000333616986 499043451 /nfs/dbraw/zinc/04/34/51/499043451.db2.gz OZXDUBJTRMHFKJ-XYJFISCASA-N 2 0 373.545 3.166 20 0 FGADRP Cn1cc([C@@H]2[C@@H](C[NH2+]Cc3ccc(F)c(Cl)c3)CCCN2C)cn1 ZINC000366738528 499054474 /nfs/dbraw/zinc/05/44/74/499054474.db2.gz LHOGFHLZGISJII-KDOFPFPSSA-N 2 0 350.869 3.385 20 0 FGADRP CS(=O)(=O)[C@@H]1CCC[C@H]([NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000284307385 499086247 /nfs/dbraw/zinc/08/62/47/499086247.db2.gz ZDKWMQCPYPKGMV-VQTJNVASSA-N 2 0 364.555 3.118 20 0 FGADRP C[C@@H]1C[C@@H](N(C)C(=O)c2ccc3c[nH+]cn3c2)CC[N@@H+]1Cc1ccccc1 ZINC000284329266 499090053 /nfs/dbraw/zinc/09/00/53/499090053.db2.gz LJXKWVBXNFCHJU-XLIONFOSSA-N 2 0 362.477 3.459 20 0 FGADRP CCCN(CCC[NH+](C)C)C(=O)NC[C@@H]1CC[N@H+](C)[C@@H]1c1cccs1 ZINC000364051645 499100357 /nfs/dbraw/zinc/10/03/57/499100357.db2.gz KUEWVQNPEOMOOQ-WMZOPIPTSA-N 2 0 366.575 3.114 20 0 FGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H](C)[C@H]2C[C@@H]2c2ccc(OC)cc2)CC1 ZINC000284463602 499111455 /nfs/dbraw/zinc/11/14/55/499111455.db2.gz TZQKWWVBLCIAKF-MCEIDBOGSA-N 2 0 359.558 3.050 20 0 FGADRP C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000364122180 499119145 /nfs/dbraw/zinc/11/91/45/499119145.db2.gz AYDOETGCYIEAEH-FXAWDEMLSA-N 2 0 364.578 3.013 20 0 FGADRP CC(C)[C@H](C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1)c1ccccc1 ZINC000570279936 506132191 /nfs/dbraw/zinc/13/21/91/506132191.db2.gz RQMGUYKYAYWZAA-JBACZVJFSA-N 2 0 357.542 3.006 20 0 FGADRP CO[C@@H](C[N@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccc(Cl)cc1 ZINC000367288612 499173804 /nfs/dbraw/zinc/17/38/04/499173804.db2.gz HILCEMZRNIDYPZ-UXHICEINSA-N 2 0 365.949 3.128 20 0 FGADRP COc1ccccc1CNC(=[NH2+])NC[C@@H]1CC[N@H+](C)[C@@H]1c1cccs1 ZINC000370160840 499189905 /nfs/dbraw/zinc/18/99/05/499189905.db2.gz IMSYQSPLMFAODD-YJBOKZPZSA-N 2 0 358.511 3.064 20 0 FGADRP Cn1cc([C@@H]2[C@@H](C[NH2+][C@@H]3Cc4[nH]c5ccccc5c4C3)CCCN2C)cn1 ZINC000370250256 499202106 /nfs/dbraw/zinc/20/21/06/499202106.db2.gz ZOWMKDOPOIBTAA-ZWWNWMABSA-N 2 0 363.509 3.041 20 0 FGADRP C[C@H](NC(=O)NC[C@H]1CC[N@H+](C)[C@@H]1c1cccs1)C(C)(C)C[NH+](C)C ZINC000370300071 499207077 /nfs/dbraw/zinc/20/70/77/499207077.db2.gz HYGAPDSBOFXYBV-UXLLHSPISA-N 2 0 366.575 3.016 20 0 FGADRP C[C@@H]1CN(C(=O)Nc2ccc(F)c(Cl)c2)CCN1C1CC[NH+](C)CC1 ZINC000367529178 499209388 /nfs/dbraw/zinc/20/93/88/499209388.db2.gz MOGRKAHIRWABCB-CYBMUJFWSA-N 2 0 368.884 3.111 20 0 FGADRP C[C@@H]1C[C@H]([NH2+]Cc2ccc(C[S@@](C)=O)cc2)CN1Cc1ccccc1 ZINC000367599951 499216278 /nfs/dbraw/zinc/21/62/78/499216278.db2.gz YINZGLPXNAEJIE-FTGWLVSGSA-N 2 0 356.535 3.318 20 0 FGADRP CN(CC(=O)Nc1cccc(Cl)c1Cl)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000367603413 499216593 /nfs/dbraw/zinc/21/65/93/499216593.db2.gz KXMNHMYIKMNGLF-FUNVUKJBSA-N 2 0 356.297 3.489 20 0 FGADRP Cc1nc(C(C)C)sc1[C@@H](C)[NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000370624173 499236712 /nfs/dbraw/zinc/23/67/12/499236712.db2.gz HOOCEVODSVHHQB-ZBFHGGJFSA-N 2 0 350.576 3.394 20 0 FGADRP Cc1nc(C(C)C)sc1[C@H](C)[NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000370624172 499236725 /nfs/dbraw/zinc/23/67/25/499236725.db2.gz HOOCEVODSVHHQB-HOCLYGCPSA-N 2 0 350.576 3.394 20 0 FGADRP C[C@@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1cccc(OC(F)F)c1 ZINC000370638196 499238311 /nfs/dbraw/zinc/23/83/11/499238311.db2.gz WOHOUAHZHFRPKK-GDBMZVCRSA-N 2 0 353.457 3.107 20 0 FGADRP COc1ccccc1C[C@@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)C(C)C ZINC000370636632 499238392 /nfs/dbraw/zinc/23/83/92/499238392.db2.gz RYNPMPWUUOZXOZ-TZIWHRDSSA-N 2 0 359.558 3.020 20 0 FGADRP C[C@@H]([NH2+]Cc1ccnc(-n2ccnc2)c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000370645949 499239419 /nfs/dbraw/zinc/23/94/19/499239419.db2.gz NCEXAZCQYNPABC-QGZVFWFLSA-N 2 0 365.481 3.059 20 0 FGADRP C[C@H]1C[N@H+](Cc2cccc(-c3ccccn3)c2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000370695617 499245249 /nfs/dbraw/zinc/24/52/49/499245249.db2.gz BUIDNBHTHKQNMC-CVDCTZTESA-N 2 0 364.537 3.206 20 0 FGADRP Cc1nccn1CCCC[N@@H+]1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC000367979695 499251632 /nfs/dbraw/zinc/25/16/32/499251632.db2.gz ZCQGRHVPGXYOMB-ROUUACIJSA-N 2 0 362.518 3.161 20 0 FGADRP C[C@H]1C[C@@H](C(=O)N(C)CC2(C)CC[NH+](Cc3ccccc3)CC2)CC[N@@H+]1C ZINC000367987495 499252418 /nfs/dbraw/zinc/25/24/18/499252418.db2.gz ONNFHRGHHZUAEO-FPOVZHCZSA-N 2 0 371.569 3.477 20 0 FGADRP CCC1(CNC(=O)NC2CC[NH+](C3CCN(C)CC3)CC2)CCCCC1 ZINC000368341032 499286826 /nfs/dbraw/zinc/28/68/26/499286826.db2.gz DKVAJESWTLGGOS-UHFFFAOYSA-N 2 0 364.578 3.205 20 0 FGADRP CN(C(=O)CC[C@H]1CC[NH2+]C1)C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000371157080 499294231 /nfs/dbraw/zinc/29/42/31/499294231.db2.gz YKIDZJYQQJHEMP-YBVXAUJNSA-N 2 0 355.526 3.030 20 0 FGADRP C[NH+](C)CCOc1cc(C[NH2+][C@@H]2CCC[C@@H](c3cccnc3)C2)ccn1 ZINC000368520486 499304128 /nfs/dbraw/zinc/30/41/28/499304128.db2.gz VTTUCBRDMLCZLA-UYAOXDASSA-N 2 0 354.498 3.233 20 0 FGADRP Cc1cn2c(n1)[C@H](CNC(=O)c1ccc(C[NH+]3CCCC3)cc1)CCC2 ZINC000371294687 499306640 /nfs/dbraw/zinc/30/66/40/499306640.db2.gz MLUOGJVHCUTIID-IBGZPJMESA-N 2 0 352.482 3.095 20 0 FGADRP CC(C)c1nc2c([nH]1)C[C@H](C(=O)N[C@@H](C)[C@@H](c1ccccc1)[NH+](C)C)CC2 ZINC000368738726 499326964 /nfs/dbraw/zinc/32/69/64/499326964.db2.gz BRTFWIUNKKHKBJ-VPWXQRGCSA-N 2 0 368.525 3.446 20 0 FGADRP CC(C)c1nc2c([nH]1)C[C@H](C(=O)N[C@@H](C)[C@H](c1ccccc1)[NH+](C)C)CC2 ZINC000368738728 499327043 /nfs/dbraw/zinc/32/70/43/499327043.db2.gz BRTFWIUNKKHKBJ-XAUMDUMWSA-N 2 0 368.525 3.446 20 0 FGADRP Cc1ccc2c(C)cc(N3CCC[C@H](C[NH+]4CCN(C)CC4)C3)nc2c1 ZINC000368831438 499337404 /nfs/dbraw/zinc/33/74/04/499337404.db2.gz AKTYFGZUPWPDTP-LJQANCHMSA-N 2 0 352.526 3.315 20 0 FGADRP Cc1nnc(N2CCC([NH2+]CCC[N@@H+](C)C3CCCCC3)CC2)s1 ZINC000371684996 499354805 /nfs/dbraw/zinc/35/48/05/499354805.db2.gz IVPWVMSGGIWRDF-UHFFFAOYSA-N 2 0 351.564 3.060 20 0 FGADRP C[C@@H]1C[N@H+](CCOc2cccc3ccccc32)CCN1C1CC[NH+](C)CC1 ZINC000371691920 499355673 /nfs/dbraw/zinc/35/56/73/499355673.db2.gz DTCMQTXTFMJRAK-LJQANCHMSA-N 2 0 367.537 3.319 20 0 FGADRP C[NH+](C)Cc1cccc(C(=O)NC[C@@H]2CC[N@H+](C)[C@@H]2c2cccs2)c1 ZINC000371762619 499362808 /nfs/dbraw/zinc/36/28/08/499362808.db2.gz MMGMBTPDIPGFSP-HKUYNNGSSA-N 2 0 357.523 3.233 20 0 FGADRP CC[N@@H+]1CC[C@@H](CNC(=O)C2CC[NH+](Cc3ccc(Cl)s3)CC2)C1 ZINC000371841972 499370753 /nfs/dbraw/zinc/37/07/53/499370753.db2.gz DUYGLSJWUFLCNY-AWEZNQCLSA-N 2 0 369.962 3.072 20 0 FGADRP C[C@@H]([NH2+]CCCOCC1CCOCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000372346145 499423411 /nfs/dbraw/zinc/42/34/11/499423411.db2.gz JJEPMPYQXPSLRS-KNQAVFIVSA-N 2 0 360.542 3.320 20 0 FGADRP Cc1c[nH+]ccc1N1CCC(C(=O)NC[C@H]2CCC[N@@H+](CC(C)C)C2)CC1 ZINC000378217997 499491213 /nfs/dbraw/zinc/49/12/13/499491213.db2.gz PIXCBMQWDLRSID-LJQANCHMSA-N 2 0 372.557 3.091 20 0 FGADRP OC1(Cc2ccc(F)cc2F)C[C@H]2CC[C@@H](C1)[N@H+]2CCC[NH+]1CCCC1 ZINC000378430172 499516033 /nfs/dbraw/zinc/51/60/33/499516033.db2.gz NKTGRCOPXWSCTO-PMSBKCLSSA-N 2 0 364.480 3.351 20 0 FGADRP CN(Cc1ncc(-c2cccc(F)c2)o1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000378434808 499516173 /nfs/dbraw/zinc/51/61/73/499516173.db2.gz SKEDSTSDYDCUQT-IBGZPJMESA-N 2 0 372.488 3.081 20 0 FGADRP C[NH2+]CCc1ccccc1C(=O)N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000382750469 499546032 /nfs/dbraw/zinc/54/60/32/499546032.db2.gz ZIPQCGKKFPUQHK-LJQANCHMSA-N 2 0 365.521 3.185 20 0 FGADRP C[C@H](CC(=O)N1CCC[N@H+](Cc2ccccc2)C[C@@H]1C)[C@@H]1CCC[NH2+]C1 ZINC000382732939 499546224 /nfs/dbraw/zinc/54/62/24/499546224.db2.gz DAHIGKXNTKNVRO-SVFBPWRDSA-N 2 0 357.542 3.135 20 0 FGADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000390688288 499555183 /nfs/dbraw/zinc/55/51/83/499555183.db2.gz ZMYNRXFVWIXVOL-BAGYTPMASA-N 2 0 359.558 3.178 20 0 FGADRP COc1ccccc1[C@@H](C)[NH2+]CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000390910498 499556199 /nfs/dbraw/zinc/55/61/99/499556199.db2.gz OGXOJGLUYHOHLY-LJQANCHMSA-N 2 0 353.510 3.164 20 0 FGADRP CN(C)c1ccc(N2CCC([NH2+][C@@H]3CC[N@H+](C)[C@@H]4CCC[C@H]43)CC2)cc1 ZINC000375802018 499557067 /nfs/dbraw/zinc/55/70/67/499557067.db2.gz PVLHPFBZZGTOHO-BHDDXSALSA-N 2 0 356.558 3.184 20 0 FGADRP CC(C)[NH+]1CCC([NH2+]C[C@@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000395746752 499562983 /nfs/dbraw/zinc/56/29/83/499562983.db2.gz XGUZLYLKUAAJMR-CQSZACIVSA-N 2 0 361.313 3.196 20 0 FGADRP C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)NCc1ccccc1C[NH+]1CCC(C)CC1 ZINC000582171321 506150239 /nfs/dbraw/zinc/15/02/39/506150239.db2.gz DVETZYGRJSBOHV-WIYYLYMNSA-N 2 0 372.557 3.330 20 0 FGADRP Cc1nc2c(s1)CCC[C@H]2C[N@@H+](C)CCCN1CC[NH+](C(C)C)CC1 ZINC000375953729 499571160 /nfs/dbraw/zinc/57/11/60/499571160.db2.gz JMAGQZIKHFLROR-SFHVURJKSA-N 2 0 364.603 3.219 20 0 FGADRP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+][C@@H]3CCCN(c4ccnn4C)C3)CC2)C1 ZINC000376056437 499579201 /nfs/dbraw/zinc/57/92/01/499579201.db2.gz VVMOHHRORGQZDM-MISYRCLQSA-N 2 0 359.562 3.022 20 0 FGADRP O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)N1CCC(c2c[nH]cn2)CC1 ZINC000376191295 499590030 /nfs/dbraw/zinc/59/00/30/499590030.db2.gz NNTKAHYTHVEKRT-HXUWFJFHSA-N 2 0 367.497 3.136 20 0 FGADRP Cc1nccn1CCCC[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000409446120 499596473 /nfs/dbraw/zinc/59/64/73/499596473.db2.gz DCHPIHQZOAFLEW-VXKWHMMOSA-N 2 0 352.526 3.426 20 0 FGADRP Cc1ccccc1OC[C@@H](O)C[NH2+]Cc1ccccc1C[N@@H+](C)C(C)C ZINC000582176186 506151891 /nfs/dbraw/zinc/15/18/91/506151891.db2.gz GXHZWNKZUKTBAV-NRFANRHFSA-N 2 0 356.510 3.365 20 0 FGADRP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](CCCCC2CCOCC2)CC1 ZINC000410337984 499655879 /nfs/dbraw/zinc/65/58/79/499655879.db2.gz MFOHDTYEOCISRV-WOJBJXKFSA-N 2 0 351.579 3.074 20 0 FGADRP COc1ncc(C[NH+]2CCC(C[N@H+](C)Cc3ccccc3)CC2)c(C)n1 ZINC000410345663 499656388 /nfs/dbraw/zinc/65/63/88/499656388.db2.gz RYADXTCDWWOATE-UHFFFAOYSA-N 2 0 354.498 3.138 20 0 FGADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+][C@@H]2CCO[C@]3(CCOC3)C2)CC1 ZINC000377132171 499664715 /nfs/dbraw/zinc/66/47/15/499664715.db2.gz WUYFQUWGTPOBIB-JYAXOCDNSA-N 2 0 358.526 3.357 20 0 FGADRP C[C@@H](O)c1ncc(C[NH2+]CC2CC[NH+](Cc3ccccc3F)CC2)s1 ZINC000377539801 499702220 /nfs/dbraw/zinc/70/22/20/499702220.db2.gz FVTAVUMWOQELIE-CQSZACIVSA-N 2 0 363.502 3.337 20 0 FGADRP C[NH+](C)CCCOc1cnccc1C[NH2+][C@@H]1CCCC[C@@H]1[C@@H]1CCOC1 ZINC000377562331 499704962 /nfs/dbraw/zinc/70/49/62/499704962.db2.gz IYQZKAXCNPAFLP-VAMGGRTRSA-N 2 0 361.530 3.097 20 0 FGADRP OCC1([NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)Cc2ccccc2C1 ZINC000411271554 499719916 /nfs/dbraw/zinc/71/99/16/499719916.db2.gz AHZJCTZVBAOPRK-UHFFFAOYSA-N 2 0 350.506 3.292 20 0 FGADRP COC(=O)C[C@H]1CSCC[N@@H+]1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411341735 499727600 /nfs/dbraw/zinc/72/76/00/499727600.db2.gz DCYKPLTYTIRMNF-IBGZPJMESA-N 2 0 362.539 3.153 20 0 FGADRP c1cn(C[C@H]2CCC[N@H+](Cc3cccc(C[NH+]4CCCCC4)c3)C2)nn1 ZINC000411391840 499733279 /nfs/dbraw/zinc/73/32/79/499733279.db2.gz BVFJIJNJVAYGEM-NRFANRHFSA-N 2 0 353.514 3.176 20 0 FGADRP C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2CC2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000377834215 499740324 /nfs/dbraw/zinc/74/03/24/499740324.db2.gz JVHUVEHYQNIPPC-QZTJIDSGSA-N 2 0 351.535 3.050 20 0 FGADRP CC[NH+]1CCC(NC(=O)C[NH2+][C@H](c2ccc(F)cc2F)C(C)(C)C)CC1 ZINC000411471179 499744902 /nfs/dbraw/zinc/74/49/02/499744902.db2.gz DSUJRIYYDQOBAY-LJQANCHMSA-N 2 0 367.484 3.242 20 0 FGADRP C[C@@H](CC[NH2+][C@]1(C)CCO[C@@H]1C1CC1)CC[NH2+][C@]1(C)CCO[C@H]1C1CC1 ZINC000411509154 499749264 /nfs/dbraw/zinc/74/92/64/499749264.db2.gz CJBPZGHYWDQTNP-CHKJKVEQSA-N 2 0 364.574 3.497 20 0 FGADRP CC(C)Cc1ccc([C@H](C)[NH2+]CC2(N3CCOCC3)CC[NH+](C)CC2)cc1 ZINC000414183676 499766587 /nfs/dbraw/zinc/76/65/87/499766587.db2.gz FHSPRGQEJNGAPF-FQEVSTJZSA-N 2 0 373.585 3.332 20 0 FGADRP CC(C)CC[C@@H]([NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1)c1ccoc1 ZINC000414186355 499766901 /nfs/dbraw/zinc/76/69/01/499766901.db2.gz HQPRLNVLCFUJLT-HXUWFJFHSA-N 2 0 363.546 3.143 20 0 FGADRP C[NH+]1CCC(C[NH2+][C@@H]2CCC(C)(C)c3ccccc32)(N2CCOCC2)CC1 ZINC000414197737 499767872 /nfs/dbraw/zinc/76/78/72/499767872.db2.gz PWIDIDVAPSTBRN-OAQYLSRUSA-N 2 0 371.569 3.185 20 0 FGADRP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(C[NH2+]Cc3cnc(N(C)C)n3C)cc2)C1 ZINC000414277317 499773637 /nfs/dbraw/zinc/77/36/37/499773637.db2.gz AZPVTAWMNGTMHB-QZTJIDSGSA-N 2 0 369.557 3.254 20 0 FGADRP OC1(C[NH2+]C2CCC3(CCOCC3)CC2)CC[NH+](Cc2ccccc2)CC1 ZINC000414302361 499775743 /nfs/dbraw/zinc/77/57/43/499775743.db2.gz KQCFDIHFHCCVNM-UHFFFAOYSA-N 2 0 372.553 3.343 20 0 FGADRP OC[C@H](C[NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1ccc(F)cc1 ZINC000414317533 499777024 /nfs/dbraw/zinc/77/70/24/499777024.db2.gz WGHJHGFCQDMBLF-FQEVSTJZSA-N 2 0 356.485 3.198 20 0 FGADRP NC(=O)C1CC[NH+](Cc2ccc(C[NH2+][C@@H]3CCC[C@H](C4CC4)C3)cc2)CC1 ZINC000414330035 499778370 /nfs/dbraw/zinc/77/83/70/499778370.db2.gz RDHQJNROWNRGCM-FCHUYYIVSA-N 2 0 369.553 3.442 20 0 FGADRP CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]Cc3ccc(C[NH+]4CCCCC4)cc3)[C@H]2C1 ZINC000411738030 499784818 /nfs/dbraw/zinc/78/48/18/499784818.db2.gz RUWYWBXOOBCIBO-RJGXRXQPSA-N 2 0 369.553 3.409 20 0 FGADRP C[C@H](c1ccccc1)[C@H]([NH2+]Cc1cccc(C[NH+]2CCCCC2)c1)C(N)=O ZINC000411764738 499787856 /nfs/dbraw/zinc/78/78/56/499787856.db2.gz ZQCVRPLCSNZACS-GCJKJVERSA-N 2 0 365.521 3.420 20 0 FGADRP COc1cc(C)ccc1C[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000414520517 499802257 /nfs/dbraw/zinc/80/22/57/499802257.db2.gz DBOSBXORQKCBII-UHFFFAOYSA-N 2 0 354.494 3.120 20 0 FGADRP CC1=CCC[C@H](C)[C@H]1C[NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000414551246 499807279 /nfs/dbraw/zinc/80/72/79/499807279.db2.gz FBQICQQRPQIVPF-AVRDEDQJSA-N 2 0 369.553 3.466 20 0 FGADRP CC1=CCC[C@H](C)[C@@H]1C[NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000414551251 499807482 /nfs/dbraw/zinc/80/74/82/499807482.db2.gz FBQICQQRPQIVPF-PGRDOPGGSA-N 2 0 369.553 3.466 20 0 FGADRP C[N@H+](Cc1ccccc1NC(=O)N1CCCO[C@@H](C[NH3+])C1)C1CCCCC1 ZINC000414716748 499822562 /nfs/dbraw/zinc/82/25/62/499822562.db2.gz SVKGAABVLHPYGK-IBGZPJMESA-N 2 0 374.529 3.033 20 0 FGADRP C[C@H]1C[C@H](C[NH+]2CCN(Cc3ccc(Br)s3)CC2)CC[NH2+]1 ZINC000414731577 499824105 /nfs/dbraw/zinc/82/41/05/499824105.db2.gz HZYBXGJHLOKSFS-UONOGXRCSA-N 2 0 372.376 3.016 20 0 FGADRP C[C@H]1C[C@@H](C[NH+]2CCN(Cc3ccc(Br)s3)CC2)CC[NH2+]1 ZINC000414731558 499824275 /nfs/dbraw/zinc/82/42/75/499824275.db2.gz HZYBXGJHLOKSFS-KBPBESRZSA-N 2 0 372.376 3.016 20 0 FGADRP CCC[N@@H+](CC(=O)Nc1ccc(F)c(F)c1F)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414741559 499825612 /nfs/dbraw/zinc/82/56/12/499825612.db2.gz RZSJIGLSIXPIDI-CHWSQXEVSA-N 2 0 357.420 3.143 20 0 FGADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1 ZINC000412131768 499826324 /nfs/dbraw/zinc/82/63/24/499826324.db2.gz PMDXDBRIROGATL-RBUKOAKNSA-N 2 0 365.949 3.176 20 0 FGADRP FC(F)(F)c1ccn(-c2ccc(CN3CCC[C@H]4C[NH2+]C[C@H]43)cc2)n1 ZINC000414791913 499831729 /nfs/dbraw/zinc/83/17/29/499831729.db2.gz RJUVONWRNBPOOA-GOEBONIOSA-N 2 0 350.388 3.075 20 0 FGADRP Clc1ccc(-n2cc(C[NH2+]CC[C@@H]3CCC[NH2+]C3)nn2)cc1Cl ZINC000414833017 499835534 /nfs/dbraw/zinc/83/55/34/499835534.db2.gz FTNVLYRCYONQAQ-LBPRGKRZSA-N 2 0 354.285 3.053 20 0 FGADRP CCCOc1c(Br)cc(C[NH2+][C@@H](C)CC[NH3+])cc1OCC ZINC000414882442 499841013 /nfs/dbraw/zinc/84/10/13/499841013.db2.gz MCXXALXASVJAEE-LBPRGKRZSA-N 2 0 359.308 3.464 20 0 FGADRP [NH3+]CCCC[NH2+]Cc1cc(Br)ccc1OCc1ccccn1 ZINC000414898297 499843089 /nfs/dbraw/zinc/84/30/89/499843089.db2.gz DNORGMIPQLIIGV-UHFFFAOYSA-N 2 0 364.287 3.252 20 0 FGADRP COc1ccc(OCc2nc(C[NH2+]CC3(C)CC[NH2+]CC3)cs2)cc1 ZINC000414897374 499843096 /nfs/dbraw/zinc/84/30/96/499843096.db2.gz DUVHMNBHNCAUHS-UHFFFAOYSA-N 2 0 361.511 3.210 20 0 FGADRP COc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]C[C@@]1(C)CCC[NH2+]C1 ZINC000414902223 499843187 /nfs/dbraw/zinc/84/31/87/499843187.db2.gz GYGWWULQSFIPIP-ACJLOTCBSA-N 2 0 353.894 3.045 20 0 FGADRP CC1(C[NH2+]Cc2nc(-c3ccc(Br)cc3)c[nH]2)CC[NH2+]CC1 ZINC000414904748 499843245 /nfs/dbraw/zinc/84/32/45/499843245.db2.gz NXUFTBBVIYGPSG-UHFFFAOYSA-N 2 0 363.303 3.319 20 0 FGADRP C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000414908146 499843729 /nfs/dbraw/zinc/84/37/29/499843729.db2.gz RHNLQRVJJOFOQS-CHWSQXEVSA-N 2 0 359.392 3.034 20 0 FGADRP C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]C[C@]1(C)CCC[NH2+]C1 ZINC000414917934 499844700 /nfs/dbraw/zinc/84/47/00/499844700.db2.gz SNCYAYHHODTWHO-SUMWQHHRSA-N 2 0 368.319 3.146 20 0 FGADRP CCCOc1c(Br)cc(CN[C@H]2C[NH2+]CC[C@@H]2C)cc1OC ZINC000414930820 499845664 /nfs/dbraw/zinc/84/56/64/499845664.db2.gz PJSMOHMVCKAFCX-WFASDCNBSA-N 2 0 371.319 3.334 20 0 FGADRP O=C(NCCC1=CC[NH2+]CC1)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000414959982 499849145 /nfs/dbraw/zinc/84/91/45/499849145.db2.gz GLBCZUMAQHRSGI-UHFFFAOYSA-N 2 0 356.514 3.146 20 0 FGADRP COc1ccc(C[NH2+]CCC[C@@H]2CCC[NH2+]2)cc1OCc1cccnc1 ZINC000414967271 499849872 /nfs/dbraw/zinc/84/98/72/499849872.db2.gz HHHQVLWTYVMBKD-LJQANCHMSA-N 2 0 355.482 3.291 20 0 FGADRP C[C@@H]1CCN(C(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)C[C@H]1C[NH3+] ZINC000414973599 499850503 /nfs/dbraw/zinc/85/05/03/499850503.db2.gz ZWSFHMFPBYLGDU-IEBWSBKVSA-N 2 0 358.530 3.164 20 0 FGADRP Cc1ccc2ncc(C[NH2+]C[C@@H]3C[NH2+]CC[C@@H]3c3ccc(F)cc3)n2c1 ZINC000414998141 499853198 /nfs/dbraw/zinc/85/31/98/499853198.db2.gz HXMZVNMXGDHVDJ-FXAWDEMLSA-N 2 0 352.457 3.265 20 0 FGADRP COc1cccc(C[C@@H](C)[NH2+]C[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)n1 ZINC000415001117 499853538 /nfs/dbraw/zinc/85/35/38/499853538.db2.gz KPFYDKGNDFMXOZ-OXFYSEKESA-N 2 0 357.473 3.143 20 0 FGADRP Cc1cccn2cc(COc3ccc(C[NH2+][C@@H]4CC[C@H](C[NH3+])C4)cc3)nc12 ZINC000415028698 499856068 /nfs/dbraw/zinc/85/60/68/499856068.db2.gz DBXGJQHKLSINBG-RBUKOAKNSA-N 2 0 364.493 3.439 20 0 FGADRP [NH3+]C[C@H]1CC[C@@H]([NH2+]Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)C1 ZINC000415042499 499857364 /nfs/dbraw/zinc/85/73/64/499857364.db2.gz QYBYHMGRVOISJJ-WMLDXEAASA-N 2 0 352.404 3.167 20 0 FGADRP Fc1cccc(Cl)c1CCC[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000415061121 499859762 /nfs/dbraw/zinc/85/97/62/499859762.db2.gz XYUCGFKSSABZRK-UHFFFAOYSA-N 2 0 353.913 3.218 20 0 FGADRP COc1cc([C@H](C)[NH2+]C[C@@H]2CCC[NH2+]C2)ccc1OCc1ccncc1 ZINC000415095316 499862718 /nfs/dbraw/zinc/86/27/18/499862718.db2.gz ZLORHWVKUIRSPU-FUHWJXTLSA-N 2 0 355.482 3.319 20 0 FGADRP Cc1cc(Br)ccc1C[NH+]1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000415104583 499863966 /nfs/dbraw/zinc/86/39/66/499863966.db2.gz HEWRBMVYFPFZIJ-ROUUACIJSA-N 2 0 367.331 3.476 20 0 FGADRP CCOc1ccc(C[NH+]2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)cc1OCC ZINC000415119358 499866052 /nfs/dbraw/zinc/86/60/52/499866052.db2.gz FDXQHFIESRKZMV-QUCCMNQESA-N 2 0 362.514 3.202 20 0 FGADRP CC[C@H](C(=O)N1CCC([NH2+]C2CCC(C[NH3+])CC2)CC1)c1ccccc1 ZINC000415121749 499866336 /nfs/dbraw/zinc/86/63/36/499866336.db2.gz ZMUOCWOWJMXRFY-XTXLOEGASA-N 2 0 357.542 3.278 20 0 FGADRP [NH3+][C@@H]1CCO[C@H](C2CC[NH+](Cc3ccc(OCC(F)F)cc3)CC2)C1 ZINC000415123099 499866548 /nfs/dbraw/zinc/86/65/48/499866548.db2.gz KXOACJSQZCTBSJ-AEFFLSMTSA-N 2 0 354.441 3.049 20 0 FGADRP [NH3+][C@@H]1CCO[C@@H](C2CC[NH+](Cc3c(F)cccc3N3CCCC3)CC2)C1 ZINC000415124684 499866759 /nfs/dbraw/zinc/86/67/59/499866759.db2.gz NAQUIXNLIAWIRH-DYESRHJHSA-N 2 0 361.505 3.144 20 0 FGADRP [NH3+][C@H]1CCO[C@H](C2CC[NH+](Cc3ccccc3Br)CC2)C1 ZINC000415124630 499866779 /nfs/dbraw/zinc/86/67/79/499866779.db2.gz MVFOJQZLIGOGJS-RDJZCZTQSA-N 2 0 353.304 3.167 20 0 FGADRP [NH3+][C@@H]1CCO[C@@H](C2CC[NH+](Cc3cccc(Br)c3)CC2)C1 ZINC000415129665 499867660 /nfs/dbraw/zinc/86/76/60/499867660.db2.gz VPLIRWCHRITSRL-IAGOWNOFSA-N 2 0 353.304 3.167 20 0 FGADRP [NH3+][C@H]1CCO[C@@H](C2CC[NH+](Cc3ccc(Br)cc3)CC2)C1 ZINC000415129548 499867723 /nfs/dbraw/zinc/86/77/23/499867723.db2.gz UYFQOISFZQNPAL-DLBZAZTESA-N 2 0 353.304 3.167 20 0 FGADRP CCOc1ccc(C[NH+]2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)cc1OCC ZINC000415132416 499868358 /nfs/dbraw/zinc/86/83/58/499868358.db2.gz UDQXLISFJQLAJB-RXVVDRJESA-N 2 0 362.514 3.202 20 0 FGADRP COc1cc(C[NH+]2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)ccc1SC ZINC000415132698 499868380 /nfs/dbraw/zinc/86/83/80/499868380.db2.gz UJJDASZHZKFNEM-LPHOPBHVSA-N 2 0 350.528 3.135 20 0 FGADRP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](Cc2c(F)cccc2N2CCCC2)CC1 ZINC000415137150 499869219 /nfs/dbraw/zinc/86/92/19/499869219.db2.gz XTZVQXKILUEIRN-CTNGQTDRSA-N 2 0 361.505 3.144 20 0 FGADRP [NH3+]CC1(O)CC[NH+](Cc2cccc(OCc3ccccc3Cl)c2)CC1 ZINC000415146276 499870210 /nfs/dbraw/zinc/87/02/10/499870210.db2.gz YBHPXWUEHYLBGC-UHFFFAOYSA-N 2 0 360.885 3.205 20 0 FGADRP CC1CC[NH+](CCc2cccc(NC(=O)N3CC[NH2+]C(C)(C)C3)c2)CC1 ZINC000415388951 499890687 /nfs/dbraw/zinc/89/06/87/499890687.db2.gz IEXGDDDCRFGFMP-UHFFFAOYSA-N 2 0 358.530 3.177 20 0 FGADRP CC[C@@H](C)[NH2+][C@@H](CNC(=O)Nc1ccc2c(c1)C[NH2+]CC2)c1ccco1 ZINC000415894560 499925105 /nfs/dbraw/zinc/92/51/05/499925105.db2.gz MKWJHHJNDGKESN-KDOFPFPSSA-N 2 0 356.470 3.176 20 0 FGADRP C[NH2+]Cc1cccc(NC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)c1 ZINC000415926108 499929231 /nfs/dbraw/zinc/92/92/31/499929231.db2.gz CMKPMWIRTGONIZ-UHFFFAOYSA-N 2 0 352.482 3.324 20 0 FGADRP CC[NH2+]Cc1cccc(NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000415929426 499929754 /nfs/dbraw/zinc/92/97/54/499929754.db2.gz HAXJCBPXKRZPHM-FQEVSTJZSA-N 2 0 352.482 3.192 20 0 FGADRP CC[NH2+]Cc1cccc(NC(=O)NCC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000415934767 499930467 /nfs/dbraw/zinc/93/04/67/499930467.db2.gz QPRUVWWVGGQZAC-UHFFFAOYSA-N 2 0 367.497 3.229 20 0 FGADRP CC[NH+](CC)CC1CCN(C(=O)Nc2ccc3c(c2F)CC[NH2+]C3)CC1 ZINC000415949167 499932383 /nfs/dbraw/zinc/93/23/83/499932383.db2.gz BKJIPFGGRVDASB-UHFFFAOYSA-N 2 0 362.493 3.057 20 0 FGADRP [NH3+]Cc1ccc(NC(=O)NCc2ccccc2C[NH+]2CCCCC2)cc1 ZINC000415954279 499932849 /nfs/dbraw/zinc/93/28/49/499932849.db2.gz ICHQVZJVCTWXGO-UHFFFAOYSA-N 2 0 352.482 3.453 20 0 FGADRP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000415959481 499933577 /nfs/dbraw/zinc/93/35/77/499933577.db2.gz ZHYQCWLOIVPIFG-LBPRGKRZSA-N 2 0 372.435 3.358 20 0 FGADRP C[C@@H](NC(=O)Nc1ccc(C[NH3+])cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000415961624 499933871 /nfs/dbraw/zinc/93/38/71/499933871.db2.gz RURQPQGCROSXRL-APWZRJJASA-N 2 0 352.482 3.177 20 0 FGADRP O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000415964870 499934211 /nfs/dbraw/zinc/93/42/11/499934211.db2.gz YPESZGXGJRVFFX-QGZVFWFLSA-N 2 0 372.444 3.023 20 0 FGADRP CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)Nc1ccc(C[NH3+])cc1 ZINC000415964521 499934471 /nfs/dbraw/zinc/93/44/71/499934471.db2.gz WLCUFGNKPBRJIE-HXUWFJFHSA-N 2 0 354.498 3.423 20 0 FGADRP [NH3+]Cc1cc(NC(=O)N2CCC[C@H]2C[NH+]2CCCC2)cc(C(F)(F)F)c1 ZINC000415968936 499935370 /nfs/dbraw/zinc/93/53/70/499935370.db2.gz JIROGEMMLIWHBU-INIZCTEOSA-N 2 0 370.419 3.256 20 0 FGADRP C[C@@H]1C[C@@H](NC(=O)Nc2ccc(C[NH3+])cc2)CC[N@@H+]1Cc1ccccc1 ZINC000415971258 499935699 /nfs/dbraw/zinc/93/56/99/499935699.db2.gz GFTHUBPQLCQQIX-UZLBHIALSA-N 2 0 352.482 3.320 20 0 FGADRP [NH3+]Cc1cc(NC(=O)NC2CC[NH+](CC3CC3)CC2)cc(C(F)(F)F)c1 ZINC000415973013 499936054 /nfs/dbraw/zinc/93/60/54/499936054.db2.gz PONLYDDZVJJDLY-UHFFFAOYSA-N 2 0 370.419 3.160 20 0 FGADRP C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000415994186 499938743 /nfs/dbraw/zinc/93/87/43/499938743.db2.gz HEHNMCAVWSBZOL-UHFFFAOYSA-N 2 0 356.445 3.025 20 0 FGADRP C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(C(=O)CC[N@@H+]2CCc3ccccc3C2)C1 ZINC000416146356 499958035 /nfs/dbraw/zinc/95/80/35/499958035.db2.gz UIXQIIXIEMRTHB-WOIUINJBSA-N 2 0 369.553 3.299 20 0 FGADRP C[C@H](CCNC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)[N@H+](C)Cc1ccccc1 ZINC000428957368 499967983 /nfs/dbraw/zinc/96/79/83/499967983.db2.gz QONOHFBVXYUOIE-MSOLQXFVSA-N 2 0 362.562 3.173 20 0 FGADRP C[NH+](C)[C@H](CC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1)c1ccccc1 ZINC000416177573 499969801 /nfs/dbraw/zinc/96/98/01/499969801.db2.gz GEHNQAVOBFLFDH-TUNNFDKTSA-N 2 0 351.494 3.241 20 0 FGADRP CC(C)(C)[N@@H+]1CCc2nc(NC(=O)C3CC[NH+](C4CC4)CC3)sc2C1 ZINC000425050849 500006114 /nfs/dbraw/zinc/00/61/14/500006114.db2.gz ZIIMCEOTMVHYCN-UHFFFAOYSA-N 2 0 362.543 3.113 20 0 FGADRP CC1CC[NH+]([C@@H](CNC(=O)NCCC2=CC[NH2+]CC2)c2ccccc2)CC1 ZINC000417214493 500007251 /nfs/dbraw/zinc/00/72/51/500007251.db2.gz KZGXDNBXGBKASQ-NRFANRHFSA-N 2 0 370.541 3.069 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N[C@@H](C)[C@@H](C)[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000417293177 500030714 /nfs/dbraw/zinc/03/07/14/500030714.db2.gz DZUJYBGIZOXTQZ-DVOMOZLQSA-N 2 0 374.451 3.123 20 0 FGADRP O=C(NCC[C@H]1CCC[NH2+]C1)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000417352984 500047204 /nfs/dbraw/zinc/04/72/04/500047204.db2.gz HNTLRFXBVFXPBO-LJQANCHMSA-N 2 0 372.557 3.252 20 0 FGADRP O=C(NCc1ccc(C[NH+]2CCCCCC2)cc1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000417356610 500047725 /nfs/dbraw/zinc/04/77/25/500047725.db2.gz GEADVCBJYSQTPP-RTWAWAEBSA-N 2 0 370.541 3.099 20 0 FGADRP CC[N@H+](C)Cc1cccc(CNC(=O)N2CCCC[C@@H]2[C@@H]2CCC[NH2+]C2)c1 ZINC000417398912 500061401 /nfs/dbraw/zinc/06/14/01/500061401.db2.gz IGTBJSNJVUOCDI-NHCUHLMSSA-N 2 0 372.557 3.202 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N[C@@H]1CC[C@@H](C[NH3+])C1)c1ccccc1Cl ZINC000416827800 500131612 /nfs/dbraw/zinc/13/16/12/500131612.db2.gz DABVZWNVOYKNMX-IIDMSEBBSA-N 2 0 366.937 3.150 20 0 FGADRP [NH3+]CCC[C@@H](NC(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1)c1ccccc1 ZINC000416837189 500134771 /nfs/dbraw/zinc/13/47/71/500134771.db2.gz WWQAPINGSKMWER-MOPGFXCFSA-N 2 0 370.497 3.196 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N1CC[C@@H]([C@H](C)[NH3+])C1)c1ccccc1Cl ZINC000416842234 500135614 /nfs/dbraw/zinc/13/56/14/500135614.db2.gz MXZVOPACQGOQSL-HDMKZQKVSA-N 2 0 366.937 3.102 20 0 FGADRP [NH3+]CCC[C@H](NC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000416845414 500137117 /nfs/dbraw/zinc/13/71/17/500137117.db2.gz RRZCPDNDIFNFKP-RTWAWAEBSA-N 2 0 366.509 3.040 20 0 FGADRP CC[N@@H+]1CC[C@H]([NH+](C)CCOc2cccc(Br)c2)[C@@H](C)C1 ZINC000429813594 500148652 /nfs/dbraw/zinc/14/86/52/500148652.db2.gz RRBAVGGMUXOYTB-YOEHRIQHSA-N 2 0 355.320 3.490 20 0 FGADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCOc2ccc(C(=O)OC)cc2Cl)[C@@H](C)C1 ZINC000429811382 500148788 /nfs/dbraw/zinc/14/87/88/500148788.db2.gz WPKYEMABXJEQGU-WMLDXEAASA-N 2 0 368.905 3.168 20 0 FGADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCOc2cccc(Br)c2)[C@H](C)C1 ZINC000429813589 500149005 /nfs/dbraw/zinc/14/90/05/500149005.db2.gz RRBAVGGMUXOYTB-RHSMWYFYSA-N 2 0 355.320 3.490 20 0 FGADRP CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)NCCCCC[NH+]2CCCCC2)CC1 ZINC000417695863 500151217 /nfs/dbraw/zinc/15/12/17/500151217.db2.gz BBPNLOPYJHGAFM-LJQANCHMSA-N 2 0 364.578 3.062 20 0 FGADRP O=C(NCCCCC[NH+]1CCCCC1)N1CCCC[C@H]1[C@H]1CCC[NH2+]C1 ZINC000417698633 500152101 /nfs/dbraw/zinc/15/21/01/500152101.db2.gz DVIDBUQDUJWNAX-PMACEKPBSA-N 2 0 364.578 3.206 20 0 FGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H](c2ccc(OC)cc2F)C(C)C)CC1 ZINC000421827583 500161156 /nfs/dbraw/zinc/16/11/56/500161156.db2.gz YIRBZIONMPRTFO-UTKZUKDTSA-N 2 0 365.537 3.395 20 0 FGADRP C[C@@H](Cc1ccc(F)cc1Cl)[NH2+]CC1CC[NH+](CCN(C)C)CC1 ZINC000421827125 500161350 /nfs/dbraw/zinc/16/13/50/500161350.db2.gz WKZAMRQAHOKCBK-HNNXBMFYSA-N 2 0 355.929 3.273 20 0 FGADRP CC1CC[NH+](C[C@@H]2CCCN(C(=O)Nc3cccc4c3CC[NH2+]C4)C2)CC1 ZINC000573342077 506175739 /nfs/dbraw/zinc/17/57/39/506175739.db2.gz MWBKBTIVYLMLNA-SFHVURJKSA-N 2 0 370.541 3.308 20 0 FGADRP C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)N3CC[C@H](C)[C@H](C[NH3+])C3)cc2)C1 ZINC000416968519 500169591 /nfs/dbraw/zinc/16/95/91/500169591.db2.gz JHTUOBKJSDDJOG-LVCYWYKZSA-N 2 0 372.557 3.045 20 0 FGADRP C[C@@H]1C[C@@H](NC(=O)NCc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)CC[NH2+]1 ZINC000416974432 500172340 /nfs/dbraw/zinc/17/23/40/500172340.db2.gz LJODBSHUVURITF-HLIPFELVSA-N 2 0 358.530 3.001 20 0 FGADRP CC1CC[NH+](Cc2ccc(CNC(=O)NCCC[C@H]3CCC[NH2+]3)cc2)CC1 ZINC000416974720 500172759 /nfs/dbraw/zinc/17/27/59/500172759.db2.gz LRDBKHBNPOLCOG-OAQYLSRUSA-N 2 0 372.557 3.250 20 0 FGADRP CC1CC[NH+](Cc2ccc(CNC(=O)N3CC[C@@H](C)[C@@H](C[NH3+])C3)cc2)CC1 ZINC000416976935 500173203 /nfs/dbraw/zinc/17/32/03/500173203.db2.gz OUTMIPLFGYOTMR-NQIIRXRSSA-N 2 0 372.557 3.045 20 0 FGADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)NCC[C@H]2CCC[NH2+]2)cc1 ZINC000416977541 500173440 /nfs/dbraw/zinc/17/34/40/500173440.db2.gz QBYGTWJCUPAJFP-FXAWDEMLSA-N 2 0 358.530 3.002 20 0 FGADRP C[C@@H](CCNC(=O)N1CCC([C@H]2CCC[NH2+]2)CC1)[N@H+](C)Cc1ccccc1 ZINC000417806597 500175966 /nfs/dbraw/zinc/17/59/66/500175966.db2.gz BGNXGZKMXORUTM-GHTZIAJQSA-N 2 0 372.557 3.071 20 0 FGADRP C[C@@H](CCCC[NH3+])NC(=O)NCc1ccc(C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000416987036 500176293 /nfs/dbraw/zinc/17/62/93/500176293.db2.gz JRPUFOIULDVKAY-QRVBRYPASA-N 2 0 374.573 3.481 20 0 FGADRP C[NH2+][C@@H]1CCCN(C(=O)NCc2ccccc2C[N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000416990112 500177314 /nfs/dbraw/zinc/17/73/14/500177314.db2.gz MYOHRIOIUUAGQA-LVCYWYKZSA-N 2 0 372.557 3.058 20 0 FGADRP CN(CC(C)(C)C[NH3+])C(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000416996128 500179531 /nfs/dbraw/zinc/17/95/31/500179531.db2.gz MKRHKUWUNDNREF-QGZVFWFLSA-N 2 0 366.937 3.103 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000417828971 500179586 /nfs/dbraw/zinc/17/95/86/500179586.db2.gz QVXNVHONTSTBEM-QMMLZNLJSA-N 2 0 372.557 3.104 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)N1CCC(CC[NH2+]C)CC1)c1ccsc1 ZINC000417004763 500182467 /nfs/dbraw/zinc/18/24/67/500182467.db2.gz HXXKUNNREPAGQF-SFHVURJKSA-N 2 0 366.575 3.162 20 0 FGADRP CC(C)C[C@@H](CNC(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2)[NH2+][C@H](C)c1ccccc1 ZINC000417866612 500187130 /nfs/dbraw/zinc/18/71/30/500187130.db2.gz DPTMRZYMVKHHBL-PBASOCQRSA-N 2 0 372.557 3.288 20 0 FGADRP CC(C)C[C@H](CNC(=O)N1CC[C@](C)(C[NH3+])C1)[NH2+][C@H](C)c1ccccc1 ZINC000417877896 500189957 /nfs/dbraw/zinc/18/99/57/500189957.db2.gz QIVZLRQCLWRBIT-YFVAEKQCSA-N 2 0 360.546 3.132 20 0 FGADRP CC[NH+]1CCN(c2ccccc2C[N@@H+]2CCOC[C@H](C3CCC3)C2)CC1 ZINC000430132540 500197628 /nfs/dbraw/zinc/19/76/28/500197628.db2.gz CHRDXCWGBCCUQD-OAQYLSRUSA-N 2 0 357.542 3.077 20 0 FGADRP CCC1(CNC(=O)N2CCC(C[NH3+])CC2)CC[NH+](Cc2ccccc2)CC1 ZINC000417934331 500200458 /nfs/dbraw/zinc/20/04/58/500200458.db2.gz YQFBSMKJVHOOGG-UHFFFAOYSA-N 2 0 372.557 3.059 20 0 FGADRP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N(CCC[NH3+])Cc1ccccc1 ZINC000417988176 500210556 /nfs/dbraw/zinc/21/05/56/500210556.db2.gz RVMBNYGCIKWJDE-LJQANCHMSA-N 2 0 368.525 3.068 20 0 FGADRP CC(C)N1CC[C@H](NC(=O)N[C@@H](C)[C@H](C)[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000418009724 500213499 /nfs/dbraw/zinc/21/34/99/500213499.db2.gz SCTZEHJKSQLGIK-MWDDYTRKSA-N 2 0 370.900 3.038 20 0 FGADRP CCCN(C(=O)N[C@@H](C[N@H+](C)Cc1ccccc1)C(C)C)C1CC[NH2+]CC1 ZINC000418043068 500219292 /nfs/dbraw/zinc/21/92/92/500219292.db2.gz YJEUIXYKCRVSQF-NRFANRHFSA-N 2 0 374.573 3.317 20 0 FGADRP C[C@@H](C[NH2+][C@@H](Cc1cccnc1)c1cccc(Cl)c1)N1CC[NH+](C)CC1 ZINC000426041032 500229229 /nfs/dbraw/zinc/22/92/29/500229229.db2.gz CFGWPIURZMDTGM-UWJYYQICSA-N 2 0 372.944 3.244 20 0 FGADRP C[C@H](C[NH2+][C@@H](Cc1cccnc1)c1cccc(Cl)c1)N1CC[NH+](C)CC1 ZINC000426041031 500229546 /nfs/dbraw/zinc/22/95/46/500229546.db2.gz CFGWPIURZMDTGM-UTKZUKDTSA-N 2 0 372.944 3.244 20 0 FGADRP C[C@@H](CCCC[NH3+])NC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000418166069 500240519 /nfs/dbraw/zinc/24/05/19/500240519.db2.gz YWFVYJCAIZVTTM-HKUYNNGSSA-N 2 0 360.546 3.104 20 0 FGADRP CCC[N@H+](C)[C@H](CNC(=O)N[C@@H](C)CCC[NH3+])c1ccc(Cl)cc1 ZINC000418183876 500244439 /nfs/dbraw/zinc/24/44/39/500244439.db2.gz OXZMRGMEKNJXEG-WMLDXEAASA-N 2 0 354.926 3.150 20 0 FGADRP C[C@H](NC(=O)N[C@H](CCC[NH3+])c1ccccc1)[C@@H](c1ccccc1)[NH+](C)C ZINC000418190128 500245655 /nfs/dbraw/zinc/24/56/55/500245655.db2.gz WBMGJUDWUPRXPN-WMQCIHAUSA-N 2 0 368.525 3.457 20 0 FGADRP C[NH+](Cc1ccc(C[N@@H+](C)[C@@H]2CCCC[C@H]2O)cc1)[C@@H]1CCCC[C@H]1O ZINC000426221169 500249574 /nfs/dbraw/zinc/24/95/74/500249574.db2.gz XMVVAHFJZCDMHU-GXRSIYKFSA-N 2 0 360.542 3.157 20 0 FGADRP CCc1ccc([C@H](CNC(=O)N[C@@H]2CC[C@H](C[NH3+])C2)[NH+](CC)CC)cc1 ZINC000418211837 500249641 /nfs/dbraw/zinc/24/96/41/500249641.db2.gz IUXVECJSJYYKFQ-SXLOBPIMSA-N 2 0 360.546 3.059 20 0 FGADRP C[C@@H](C(=O)Nc1ccc(OCc2ccccc2)cc1)[NH+]1CCC(C[NH3+])CC1 ZINC000430632389 500263929 /nfs/dbraw/zinc/26/39/29/500263929.db2.gz XHUFVUNREHAMFA-KRWDZBQOSA-N 2 0 367.493 3.263 20 0 FGADRP [NH3+]C[C@@H]1CCC[N@H+](CCC(=O)N[C@@H](c2cccs2)c2ccccc2)C1 ZINC000430642439 500265634 /nfs/dbraw/zinc/26/56/34/500265634.db2.gz KMFWWESXPSJEPK-OXJNMPFZSA-N 2 0 357.523 3.015 20 0 FGADRP CC(C)c1ccc([C@@H]([NH3+])CNC(=O)NCc2ccc([C@@H](C)[NH3+])cc2)cc1 ZINC000418357105 500268108 /nfs/dbraw/zinc/26/81/08/500268108.db2.gz QMQWUCMSOPTWMU-QRWLVFNGSA-N 2 0 354.498 3.329 20 0 FGADRP [NH3+][C@H]1CCCCCC[C@@H]1C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000430752738 500279719 /nfs/dbraw/zinc/27/97/19/500279719.db2.gz HQAMYJRRGSQOED-PMACEKPBSA-N 2 0 361.505 3.204 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)NC(C)(C)CC[NH3+])c1ccccc1Cl ZINC000422594090 500279725 /nfs/dbraw/zinc/27/97/25/500279725.db2.gz REDUBYVEKKZYCP-MRXNPFEDSA-N 2 0 354.926 3.150 20 0 FGADRP Cc1cccc(CN(CC[NH+](C)C)C(=O)NCc2ccc([C@@H](C)[NH3+])cc2)c1 ZINC000418461498 500280164 /nfs/dbraw/zinc/28/01/64/500280164.db2.gz LXXUHFLVQJMJOX-GOSISDBHSA-N 2 0 368.525 3.288 20 0 FGADRP CC1(C)CN(C(=O)NCCCC[NH3+])[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000418530477 500287757 /nfs/dbraw/zinc/28/77/57/500287757.db2.gz QZWNJWPUHOLCNQ-FQEVSTJZSA-N 2 0 372.557 3.058 20 0 FGADRP C[C@@H]([NH2+]C1CCN(Cc2cccc(C(F)(F)F)c2)CC1)[C@@H]1CCC[NH2+]1 ZINC000422708305 500287711 /nfs/dbraw/zinc/28/77/11/500287711.db2.gz IXFKZTDDOQQHEL-KDOFPFPSSA-N 2 0 355.448 3.400 20 0 FGADRP C[C@H]([NH2+]C1CCN(Cc2cccc(C(F)(F)F)c2)CC1)[C@H]1CCC[NH2+]1 ZINC000422708304 500287785 /nfs/dbraw/zinc/28/77/85/500287785.db2.gz IXFKZTDDOQQHEL-KBXCAEBGSA-N 2 0 355.448 3.400 20 0 FGADRP C[C@H]([NH2+]C1CCN(Cc2cccc(C(F)(F)F)c2)CC1)[C@@H]1CCC[NH2+]1 ZINC000422708306 500288024 /nfs/dbraw/zinc/28/80/24/500288024.db2.gz IXFKZTDDOQQHEL-KSSFIOAISA-N 2 0 355.448 3.400 20 0 FGADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000422717803 500289165 /nfs/dbraw/zinc/28/91/65/500289165.db2.gz PDZAWJOVPGVOFB-PXNSSMCTSA-N 3 0 352.526 3.064 20 0 FGADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+][C@H]1CCN(c2ccccc2Br)C1 ZINC000422720025 500290299 /nfs/dbraw/zinc/29/02/99/500290299.db2.gz ZJTRAIYDZVSMDE-IMJJTQAJSA-N 2 0 352.320 3.277 20 0 FGADRP c1ccc(C[NH+]2CCCCCC2)c(C[NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)c1 ZINC000422720416 500290319 /nfs/dbraw/zinc/29/03/19/500290319.db2.gz ZKSHFBICUSPPRT-YTFSRNRJSA-N 3 0 371.569 3.309 20 0 FGADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]Cc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000422729019 500290665 /nfs/dbraw/zinc/29/06/65/500290665.db2.gz HDXCHXMSGBJAJV-BULFRSBZSA-N 3 0 359.558 3.293 20 0 FGADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]Cc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000422729020 500291034 /nfs/dbraw/zinc/29/10/34/500291034.db2.gz HDXCHXMSGBJAJV-HSQYWUDLSA-N 3 0 359.558 3.293 20 0 FGADRP C[NH+](C)CCOc1ccc(CC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)cc1 ZINC000422733641 500291848 /nfs/dbraw/zinc/29/18/48/500291848.db2.gz BQBZTGOUXZJIQW-FDFHNCONSA-N 3 0 359.558 3.070 20 0 FGADRP C[NH+](C)Cc1cc(C[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)ccc1F ZINC000422746276 500293819 /nfs/dbraw/zinc/29/38/19/500293819.db2.gz NOZZTTJKSZXAAH-RBBKRZOGSA-N 3 0 369.484 3.233 20 0 FGADRP COc1ccc([C@H](CN[C@H](Cc2ccccc2)[C@H](C)[NH3+])[NH+]2CCCC2)cc1 ZINC000422754191 500294520 /nfs/dbraw/zinc/29/45/20/500294520.db2.gz JFUUWQHHLFMRCF-NMNUPHIUSA-N 2 0 367.537 3.380 20 0 FGADRP C[C@H](NC[C@H]1CCC[N@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1)C1C[NH2+]C1 ZINC000422757738 500294765 /nfs/dbraw/zinc/29/47/65/500294765.db2.gz IXBDFHKFTYBYRB-JCKWVBRZSA-N 2 0 355.448 3.286 20 0 FGADRP CSC1(C[NH2+]Cc2cn(C)nc2-c2cccs2)CC[NH+](C)CC1 ZINC000582330108 506187629 /nfs/dbraw/zinc/18/76/29/506187629.db2.gz BLQOFQNOBQYBNA-UHFFFAOYSA-N 2 0 350.557 3.066 20 0 FGADRP COc1ccccc1[C@H](CNC(=O)[C@H]1CCCCCC[C@H]1[NH3+])[NH+]1CCCC1 ZINC000430841009 500294923 /nfs/dbraw/zinc/29/49/23/500294923.db2.gz ZMYQTNYUIULAKD-SXLOBPIMSA-N 2 0 373.541 3.246 20 0 FGADRP COc1cccc([C@H](CN[C@@H](Cc2ccccc2)[C@@H](C)[NH3+])[NH+]2CCCC2)c1 ZINC000422763049 500294999 /nfs/dbraw/zinc/29/49/99/500294999.db2.gz OKOAMFISYNKOAO-LEOXJPRUSA-N 2 0 367.537 3.380 20 0 FGADRP CC[C@H](C[NH2+][C@@H]1CCOC[C@@H]1[C@@H](C)[NH3+])Cc1cccc(Br)c1 ZINC000422761409 500295437 /nfs/dbraw/zinc/29/54/37/500295437.db2.gz RFIHJPXLAOUVTQ-LTCOOKNTSA-N 2 0 369.347 3.360 20 0 FGADRP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CC1CCN(C(=O)c2ccccc2)CC1 ZINC000422772364 500295955 /nfs/dbraw/zinc/29/59/55/500295955.db2.gz XBUCCTHFZBEVGI-XMSQKQJNSA-N 2 0 365.521 3.087 20 0 FGADRP C[C@H](C[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)Oc1ccc(F)cc1 ZINC000422778769 500296754 /nfs/dbraw/zinc/29/67/54/500296754.db2.gz AXPMQSNJOGPAFA-QFIXIFRTSA-N 2 0 356.441 3.439 20 0 FGADRP Clc1ccccc1N1CCC[C@H]([NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000422780641 500296823 /nfs/dbraw/zinc/29/68/23/500296823.db2.gz JQBJPWFSZMNIAL-OGWHTMIXSA-N 2 0 363.933 3.056 20 0 FGADRP CN(C(=O)NC[C@H]1[NH2+]CCCC1(C)C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000418622443 500297562 /nfs/dbraw/zinc/29/75/62/500297562.db2.gz VLHJRTFRINGYOU-HXUWFJFHSA-N 2 0 372.557 3.071 20 0 FGADRP OC[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)Cc1c(F)cccc1Cl ZINC000422797884 500299167 /nfs/dbraw/zinc/29/91/67/500299167.db2.gz OWSLNFNJBYVTBP-KODHJQJWSA-N 2 0 354.897 3.140 20 0 FGADRP CCc1ccccc1[C@H]([NH3+])CNC(=O)N(CC[NH+](C)C)Cc1ccsc1 ZINC000418643525 500299778 /nfs/dbraw/zinc/29/97/78/500299778.db2.gz BGFYNPKOCCWJIS-LJQANCHMSA-N 2 0 374.554 3.084 20 0 FGADRP CCOC(=O)C1([C@@H](C)[NH2+][C@@H](C)c2ccccc2OC(F)F)CC[NH2+]CC1 ZINC000422802937 500299830 /nfs/dbraw/zinc/29/98/30/500299830.db2.gz IAHAQGVIRUYOTN-UONOGXRCSA-N 2 0 370.440 3.260 20 0 FGADRP CC1(C(=O)NC[C@H]([NH3+])c2ccccc2)CC[NH+](Cc2ccccc2)CC1 ZINC000422803844 500300657 /nfs/dbraw/zinc/30/06/57/500300657.db2.gz JSIXZMPQTPSLIW-FQEVSTJZSA-N 2 0 351.494 3.105 20 0 FGADRP CC[C@@H]1Oc2cc([C@H](C)[NH2+][C@@H](C)c3ccc(C[NH3+])nc3C)ccc2NC1=O ZINC000422812773 500300936 /nfs/dbraw/zinc/30/09/36/500300936.db2.gz QXVIWQXXVDSRDT-JMERFSKESA-N 2 0 368.481 3.370 20 0 FGADRP Cc1cccc(Oc2cc(C[NH2+][C@@H]3CCOC[C@@H]3[C@@H](C)[NH3+])ccn2)c1C ZINC000422813910 500301338 /nfs/dbraw/zinc/30/13/38/500301338.db2.gz YZUAXSLOWYVLPQ-BHIYHBOVSA-N 2 0 355.482 3.333 20 0 FGADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]CCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000422819397 500301873 /nfs/dbraw/zinc/30/18/73/500301873.db2.gz NAYKJAFVIKGPED-UGKGYDQZSA-N 3 0 359.558 3.035 20 0 FGADRP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@@H]2[NH2+]Cc1ccnc(N2CCCC2)c1 ZINC000422821938 500302746 /nfs/dbraw/zinc/30/27/46/500302746.db2.gz ZHUKEKSNUFMILL-SIKLNZKXSA-N 2 0 364.493 3.027 20 0 FGADRP COc1cc(Cl)c(C)cc1NC(=O)CC[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000422826953 500302936 /nfs/dbraw/zinc/30/29/36/500302936.db2.gz RRBLLRBVHHOEQH-UKRRQHHQSA-N 2 0 353.894 3.093 20 0 FGADRP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1ccccc1C[NH+]1CCN(c2ccccc2)CC1 ZINC000422844403 500304636 /nfs/dbraw/zinc/30/46/36/500304636.db2.gz LRNRAIHHESELQD-VQTJNVASSA-N 3 0 366.553 3.224 20 0 FGADRP CCOC(=O)C1([C@H](C)[NH2+][C@@H]2CCSc3c(F)cccc32)CC[NH2+]CC1 ZINC000422847086 500305473 /nfs/dbraw/zinc/30/54/73/500305473.db2.gz QZYARHXGNYIEQZ-XJKSGUPXSA-N 2 0 366.502 3.274 20 0 FGADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]Cc1cccc(COCc2ccccc2)c1 ZINC000422852491 500306033 /nfs/dbraw/zinc/30/60/33/500306033.db2.gz AWOKOHJALZHLNW-HSQYWUDLSA-N 2 0 354.494 3.245 20 0 FGADRP C[C@@H]1CCC[N@H+](Cc2ccc(C[NH2+][C@@H]3CCOC[C@H]3[C@H]3CCC[NH2+]3)cc2)C1 ZINC000422855419 500306065 /nfs/dbraw/zinc/30/60/65/500306065.db2.gz DUCUYGADZJMHNB-YJSIEXFISA-N 3 0 371.569 3.165 20 0 FGADRP CCN(C(=O)N[C@H](C)CCCC[NH3+])[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000418681755 500307025 /nfs/dbraw/zinc/30/70/25/500307025.db2.gz ZCAUIYZNKITSME-WSTZPKSXSA-N 2 0 360.546 3.371 20 0 FGADRP Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)c(OC[C@H]2CCOC2)c1 ZINC000422866627 500307419 /nfs/dbraw/zinc/30/74/19/500307419.db2.gz QYYAKFXWPSPHPT-FYZZASKESA-N 2 0 358.526 3.421 20 0 FGADRP C[NH2+]C[C@H]1CC[N@H+](CCC(=O)Nc2ccc(Oc3ccccc3)cc2)C1 ZINC000430923306 500307973 /nfs/dbraw/zinc/30/79/73/500307973.db2.gz CSOGQYRJMAAXLS-QGZVFWFLSA-N 2 0 353.466 3.349 20 0 FGADRP O=C(CCc1ccccc1)N1CC[C@H]([NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)C1 ZINC000422869545 500308282 /nfs/dbraw/zinc/30/82/82/500308282.db2.gz ANLYJOFTQVXYTQ-MYGLTJDJSA-N 2 0 369.553 3.121 20 0 FGADRP FC(F)(F)c1cnc(N2CC[C@@H]([NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)c(Cl)c1 ZINC000422874388 500308711 /nfs/dbraw/zinc/30/87/11/500308711.db2.gz NTGZUUQHEMBBFM-RBKKPWLPSA-N 2 0 374.838 3.205 20 0 FGADRP C[C@@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]Cc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000422874803 500308961 /nfs/dbraw/zinc/30/89/61/500308961.db2.gz DFDVXLDVVNJIAC-PEWUMXJESA-N 3 0 359.558 3.006 20 0 FGADRP C[C@@H](CCCC[NH3+])[NH2+][C@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000422880294 500309447 /nfs/dbraw/zinc/30/94/47/500309447.db2.gz WRVIYXAJVJVPFN-AAEUAGOBSA-N 2 0 364.843 3.440 20 0 FGADRP C[NH2+]C[C@H]1CCN(CC(=O)N2CCC[C@@H]2c2ccc(C(C)(C)C)cc2)C1 ZINC000430941524 500310339 /nfs/dbraw/zinc/31/03/39/500310339.db2.gz WXAXVVBPSVNJRY-YLJYHZDGSA-N 2 0 357.542 3.189 20 0 FGADRP C[NH2+]CC1CC[NH+](CC(=O)N[C@@H](Cc2ccccc2)c2ccccc2)CC1 ZINC000430943861 500311066 /nfs/dbraw/zinc/31/10/66/500311066.db2.gz JWTMVLRBEMOPPS-QFIPXVFZSA-N 2 0 365.521 3.018 20 0 FGADRP C[C@@H]1C[N@H+](CCC(=O)Nc2ccccc2Oc2ccccc2)CC[C@@H]1[NH3+] ZINC000430966424 500314051 /nfs/dbraw/zinc/31/40/51/500314051.db2.gz OSVPDWFHBMZDOI-AEFFLSMTSA-N 2 0 353.466 3.477 20 0 FGADRP CCOC(=O)C1([C@H](C)[NH2+][C@@H](CC)c2cc(F)ccc2F)CC[NH2+]CC1 ZINC000422918225 500316263 /nfs/dbraw/zinc/31/62/63/500316263.db2.gz HNYNPDVCYPHFPS-GUYCJALGSA-N 2 0 354.441 3.327 20 0 FGADRP CO[C@H](C[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1ccc(F)cc1 ZINC000422923784 500317852 /nfs/dbraw/zinc/31/78/52/500317852.db2.gz XBJXFEAAFMRPQH-TYPHKJRUSA-N 2 0 356.441 3.359 20 0 FGADRP CCOC(=O)C1([C@@H](C)[NH2+][C@H]2CCc3c2cccc3Cl)CC[NH2+]CC1 ZINC000422930937 500318978 /nfs/dbraw/zinc/31/89/78/500318978.db2.gz AEIZEXLGTZBEMY-DYVFJYSZSA-N 2 0 350.890 3.238 20 0 FGADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCc1cc(Cl)c2c(c1)OCCO2 ZINC000422931356 500319137 /nfs/dbraw/zinc/31/91/37/500319137.db2.gz XJKRMSYNZIOBPV-KBXCAEBGSA-N 2 0 360.885 3.202 20 0 FGADRP COc1ccccc1SC[C@H](C)C[NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000422940568 500320474 /nfs/dbraw/zinc/32/04/74/500320474.db2.gz HBRYPOXSICGMPO-VSZNYVQBSA-N 2 0 364.555 3.170 20 0 FGADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000422946111 500321579 /nfs/dbraw/zinc/32/15/79/500321579.db2.gz OMIJANDBEBVIMM-LHSJRXKWSA-N 2 0 353.466 3.422 20 0 FGADRP CCCCNC(=O)c1ccc(C[NH2+][C@H](C)c2ccc(C[NH3+])nc2C)cc1 ZINC000422945356 500322093 /nfs/dbraw/zinc/32/20/93/500322093.db2.gz UFMQGYZNWUXERH-OAHLLOKOSA-N 2 0 354.498 3.229 20 0 FGADRP C[C@H](C(=O)N[C@@H](C)c1ccc2ccccc2c1)[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000431012861 500322851 /nfs/dbraw/zinc/32/28/51/500322851.db2.gz GTBZDOAVXKVCFI-ZWKOTPCHSA-N 2 0 365.521 3.481 20 0 FGADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000422951282 500322850 /nfs/dbraw/zinc/32/28/50/500322850.db2.gz XVYCWHARBYYVQZ-MPGHIAIKSA-N 2 0 366.347 3.383 20 0 FGADRP COc1cccc(C[C@H](C)[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000422956002 500323469 /nfs/dbraw/zinc/32/34/69/500323469.db2.gz OCNTYWCFQLERKM-XUEUYAKLSA-N 2 0 352.478 3.472 20 0 FGADRP C[C@@H](C(=O)Nc1ccccc1C(F)(F)F)[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000431017795 500324385 /nfs/dbraw/zinc/32/43/85/500324385.db2.gz SDHMTZOWOJBZEJ-ZDUSSCGKSA-N 2 0 355.404 3.108 20 0 FGADRP O=C(CCC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)N1CCc2ccccc21 ZINC000422961337 500324537 /nfs/dbraw/zinc/32/45/37/500324537.db2.gz YWYPJXMWCADHDW-XUVXKRRUSA-N 2 0 355.526 3.256 20 0 FGADRP C[C@@H](C[C@@H]1COCCN1)[NH2+]Cc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000422964282 500324639 /nfs/dbraw/zinc/32/46/39/500324639.db2.gz IDQKPOKTBGKRGZ-PGRDOPGGSA-N 2 0 367.537 3.272 20 0 FGADRP C[C@@H]([NH3+])[C@H](Cc1ccccc1)Nc1cccc(C[NH+]2CCC(CO)CC2)c1 ZINC000422981870 500326697 /nfs/dbraw/zinc/32/66/97/500326697.db2.gz PLMRZIFOVCTOQC-JPYJTQIMSA-N 2 0 367.537 3.261 20 0 FGADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)Nc1cccc(C[NH+]2CCC(CO)CC2)c1 ZINC000422981869 500326836 /nfs/dbraw/zinc/32/68/36/500326836.db2.gz PLMRZIFOVCTOQC-FDDCHVKYSA-N 2 0 367.537 3.261 20 0 FGADRP c1ccc2c(c1)CCC[C@@H]2OCCC[NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000422984194 500327186 /nfs/dbraw/zinc/32/71/86/500327186.db2.gz XKYWRGNRXUFCKU-YSFYHYPLSA-N 2 0 358.526 3.217 20 0 FGADRP c1cc(OCC[NH+]2CCCC2)ccc1CC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000423012852 500331089 /nfs/dbraw/zinc/33/10/89/500331089.db2.gz DTCYOJWDZHTOJL-ZRBLBEILSA-N 3 0 371.569 3.214 20 0 FGADRP COc1ccc(C[C@H](C)C[NH2+][C@H](C)c2ccc(C[NH3+])nc2C)cc1OC ZINC000423027257 500332438 /nfs/dbraw/zinc/33/24/38/500332438.db2.gz REKNKTZRXILZDV-LSDHHAIUSA-N 2 0 357.498 3.395 20 0 FGADRP Cc1cc(Br)cn2cc(CC[NH2+][C@H]3CCCCC[C@@H]3[NH3+])nc12 ZINC000423036470 500333700 /nfs/dbraw/zinc/33/37/00/500333700.db2.gz LDDUMHZQKVKESC-HOTGVXAUSA-N 2 0 365.319 3.197 20 0 FGADRP FC(F)(F)COc1ccc(CC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)cn1 ZINC000423045059 500334388 /nfs/dbraw/zinc/33/43/88/500334388.db2.gz BHILSLLOLIJPSQ-OAGGEKHMSA-N 2 0 357.420 3.076 20 0 FGADRP CCOC(=O)C1([C@H](C)[NH2+][C@H](C)CSc2ccc(C)cc2)CC[NH2+]CC1 ZINC000423044388 500334540 /nfs/dbraw/zinc/33/45/40/500334540.db2.gz AMHDVRDFYBDWJQ-SJORKVTESA-N 2 0 364.555 3.387 20 0 FGADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]C1CCN(C(=O)c2ccccc2C(F)(F)F)CC1 ZINC000423048767 500335326 /nfs/dbraw/zinc/33/53/26/500335326.db2.gz ITCPTGOZDKACFH-CHWSQXEVSA-N 2 0 357.420 3.025 20 0 FGADRP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1)CC3 ZINC000423050266 500335698 /nfs/dbraw/zinc/33/56/98/500335698.db2.gz YTDBINWWKPADKG-CIVUBGFFSA-N 2 0 353.510 3.080 20 0 FGADRP CN1C[C@H](C[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)Cc2ccccc21 ZINC000423062506 500337321 /nfs/dbraw/zinc/33/73/21/500337321.db2.gz UFVLUZJHKAGGPJ-XTQVGHSUSA-N 2 0 363.505 3.141 20 0 FGADRP Cn1cc(CC[NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)c2ccc(Cl)cc21 ZINC000423064107 500337502 /nfs/dbraw/zinc/33/75/02/500337502.db2.gz QLASPXQVAKGYOQ-CEXWTWQISA-N 2 0 361.917 3.121 20 0 FGADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H](C)CCc1ccc(I)cc1 ZINC000423092656 500341277 /nfs/dbraw/zinc/34/12/77/500341277.db2.gz CVGUMCWMADTYSE-AVGNSLFASA-N 2 0 360.283 3.328 20 0 FGADRP Brc1ccc(/C=C\C[NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000423165974 500350306 /nfs/dbraw/zinc/35/03/06/500350306.db2.gz YRLIYBSSCPCKPQ-RSIXOJRVSA-N 2 0 365.315 3.209 20 0 FGADRP CO[C@H]1c2ccccc2C[C@H]1[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423173192 500351213 /nfs/dbraw/zinc/35/12/13/500351213.db2.gz XIJAZCXIVGJGHL-XMGTWHOFSA-N 2 0 350.462 3.144 20 0 FGADRP C[C@H]([NH2+]C1CC[NH2+]CC1)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000423180689 500352049 /nfs/dbraw/zinc/35/20/49/500352049.db2.gz IKYJTVGZQZWRRX-INIZCTEOSA-N 2 0 350.466 3.316 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCCC[NH2+]Cc1cccnc1 ZINC000423187786 500353095 /nfs/dbraw/zinc/35/30/95/500353095.db2.gz MTMMUADAGLRAJO-KNQAVFIVSA-N 2 0 352.526 3.062 20 0 FGADRP C[C@@H]1C[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C[N@@H+]1Cc1ccccc1 ZINC000427152502 500359874 /nfs/dbraw/zinc/35/98/74/500359874.db2.gz KEMIVMLDPKVOPG-UYAOXDASSA-N 2 0 357.542 3.278 20 0 FGADRP C[N@H+](Cc1ccccc1NC(=O)COC1CC[NH2+]CC1)C1CCCCC1 ZINC000423299967 500362299 /nfs/dbraw/zinc/36/22/99/500362299.db2.gz QPJAFUGUKSQKGT-UHFFFAOYSA-N 2 0 359.514 3.158 20 0 FGADRP Brc1cc(Br)c2c(c1)[C@H]([NH2+]CC1C[NH2+]C1)CCC2 ZINC000423312199 500363439 /nfs/dbraw/zinc/36/34/39/500363439.db2.gz CUAUXCKCQLQDMG-CQSZACIVSA-N 2 0 374.120 3.398 20 0 FGADRP C[NH+](C)[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C1CC1)c1cccc(C(F)(F)F)c1 ZINC000427201804 500366159 /nfs/dbraw/zinc/36/61/59/500366159.db2.gz BZTBYWQSEQLWGL-SJORKVTESA-N 2 0 369.431 3.051 20 0 FGADRP C[NH2+]CCc1ccccc1C(=O)N[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000423360359 500367225 /nfs/dbraw/zinc/36/72/25/500367225.db2.gz LHJOPGKPCXBYEB-XLIONFOSSA-N 2 0 351.494 3.014 20 0 FGADRP Cc1cc([C@H]([NH2+]C[C@H](N2CC[NH2+]CC2)C(F)(F)F)C2CC2)ccc1F ZINC000423375147 500368434 /nfs/dbraw/zinc/36/84/34/500368434.db2.gz CWNMARMIZRTZAK-DLBZAZTESA-N 2 0 359.411 3.011 20 0 FGADRP [NH3+]C[C@H](NC1CC[NH+](Cc2ccccn2)CC1)c1ccc2ccccc2c1 ZINC000423387132 500369655 /nfs/dbraw/zinc/36/96/55/500369655.db2.gz HOZNTAUMGCHKHM-QHCPKHFHSA-N 2 0 360.505 3.489 20 0 FGADRP CC(C)[C@H](C(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2)[C@H](C)[NH3+] ZINC000423396099 500370317 /nfs/dbraw/zinc/37/03/17/500370317.db2.gz RGXDUJVUONNUIN-VCOUNFBDSA-N 2 0 357.542 3.121 20 0 FGADRP COCC1(C[NH2+][C@@H](C)c2cc(Cl)c(OC)cc2OC)CC[NH2+]CC1 ZINC000423405383 500371199 /nfs/dbraw/zinc/37/11/99/500371199.db2.gz ZFGUULVFDJGUIC-ZDUSSCGKSA-N 2 0 356.894 3.024 20 0 FGADRP COCC1(C[NH2+][C@H]2CCCc3ncc(C(F)(F)F)cc32)CC[NH2+]CC1 ZINC000423411978 500372235 /nfs/dbraw/zinc/37/22/35/500372235.db2.gz VWWIXWUOROGDDJ-INIZCTEOSA-N 2 0 357.420 3.084 20 0 FGADRP COc1ccc([C@H](C)[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)c(Br)c1 ZINC000423451728 500376166 /nfs/dbraw/zinc/37/61/66/500376166.db2.gz YNHMVKVYGCJPEE-XNJJOIOASA-N 2 0 353.304 3.496 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)C[C@H]2CCC[NH2+]CC2)cc1 ZINC000427274791 500376990 /nfs/dbraw/zinc/37/69/90/500376990.db2.gz NROGTGJLDUIEBF-MOPGFXCFSA-N 2 0 357.542 3.457 20 0 FGADRP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000423473756 500377489 /nfs/dbraw/zinc/37/74/89/500377489.db2.gz NYSALFQISCTVBC-DGEVVOEJSA-N 2 0 355.501 3.067 20 0 FGADRP Fc1ccc([C@H]([NH2+]C2CCC(N3CC[NH2+]CC3)CC2)c2ccccn2)cc1 ZINC000423505404 500379719 /nfs/dbraw/zinc/37/97/19/500379719.db2.gz HRFPPNQRRNOLKL-AOMIVXANSA-N 2 0 368.500 3.116 20 0 FGADRP C[C@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)c1ccccc1OC(F)F ZINC000423500964 500380049 /nfs/dbraw/zinc/38/00/49/500380049.db2.gz CHHOVKGRWCHBDG-FHERZECASA-N 2 0 353.457 3.155 20 0 FGADRP COc1ccsc1[C@H](C)[NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1 ZINC000423544713 500383490 /nfs/dbraw/zinc/38/34/90/500383490.db2.gz CILJRZUWBCSGRD-INIZCTEOSA-N 2 0 359.539 3.401 20 0 FGADRP COc1cccc2c1CC[C@@H]2[NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1 ZINC000423541246 500383796 /nfs/dbraw/zinc/38/37/96/500383796.db2.gz ANMVKRSBUZPKRF-NRFANRHFSA-N 2 0 365.521 3.266 20 0 FGADRP O=C(N1CCC(CCC[NH+]2CCCC2)CC1)[C@]1(c2ccccc2)CC[NH2+]C1 ZINC000423801034 500403015 /nfs/dbraw/zinc/40/30/15/500403015.db2.gz SMFSUEXAURAGRW-HSZRJFAPSA-N 2 0 369.553 3.032 20 0 FGADRP CCC(CC)(C[NH3+])C(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000423841924 500410615 /nfs/dbraw/zinc/41/06/15/500410615.db2.gz GRDUUERWMOXCAJ-UHFFFAOYSA-N 2 0 357.542 3.266 20 0 FGADRP CC1CC[NH+](CCc2cccc(NC(=O)[C@H]3CC34CC[NH2+]CC4)c2)CC1 ZINC000423847561 500411056 /nfs/dbraw/zinc/41/10/56/500411056.db2.gz OZMOHTVVRSXHMO-HXUWFJFHSA-N 2 0 355.526 3.289 20 0 FGADRP CC(C)(C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)[C@H]([NH3+])c1ccccc1 ZINC000423906263 500417789 /nfs/dbraw/zinc/41/77/89/500417789.db2.gz PWZDCBWWMQDEQC-MISYRCLQSA-N 2 0 355.526 3.188 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)C[C@H](c1ccccc1)[NH+](C)C)c1ccco1 ZINC000431781078 500423659 /nfs/dbraw/zinc/42/36/59/500423659.db2.gz ISQMGBWMPWVQRP-RTBURBONSA-N 2 0 357.498 3.472 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)C[C@@H](c1ccccc1)[NH+](C)C)c1ccco1 ZINC000431781077 500424042 /nfs/dbraw/zinc/42/40/42/500424042.db2.gz ISQMGBWMPWVQRP-RBUKOAKNSA-N 2 0 357.498 3.472 20 0 FGADRP C[NH2+]CC1CC[NH+]([C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)CC1 ZINC000420284011 500433672 /nfs/dbraw/zinc/43/36/72/500433672.db2.gz CGTDSXSJOFSIID-MRXNPFEDSA-N 2 0 356.297 3.030 20 0 FGADRP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)CC[C@@H]1CCCC[NH+]1C ZINC000431852936 500434346 /nfs/dbraw/zinc/43/43/46/500434346.db2.gz CEIJEPHYIODHLW-SFTDATJTSA-N 2 0 357.542 3.231 20 0 FGADRP COc1ccc([C@@H](C[NH3+])C[N@H+](CCO)[C@H]2CCCc3ccccc32)cc1 ZINC000420299926 500436429 /nfs/dbraw/zinc/43/64/29/500436429.db2.gz JRPUGBVJZBACER-UGKGYDQZSA-N 2 0 354.494 3.109 20 0 FGADRP COc1ccc([C@@H](C[NH3+])C[N@H+](CCO)[C@@H]2CCCc3ccccc32)cc1 ZINC000420299924 500436929 /nfs/dbraw/zinc/43/69/29/500436929.db2.gz JRPUGBVJZBACER-SIKLNZKXSA-N 2 0 354.494 3.109 20 0 FGADRP CC[C@H]1CC[C@H](C(=O)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000424018768 500437537 /nfs/dbraw/zinc/43/75/37/500437537.db2.gz JWBVYQGIWGVPNJ-KESTWPANSA-N 2 0 357.542 3.313 20 0 FGADRP Cc1cccc([C@H](C)C(=O)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)c1 ZINC000424023419 500438413 /nfs/dbraw/zinc/43/84/13/500438413.db2.gz VWBAKSILCWLCNS-IBGZPJMESA-N 2 0 365.521 3.208 20 0 FGADRP COc1ccc([C@@H](C[NH3+])C[N@@H+]2CC[C@H](OCCCc3ccccc3)C2)cc1 ZINC000420307925 500438482 /nfs/dbraw/zinc/43/84/82/500438482.db2.gz RRVZBEURQMUYBO-GMAHTHKFSA-N 2 0 368.521 3.461 20 0 FGADRP CCc1ccccc1NC(=O)[C@H](C)N1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000420311347 500438742 /nfs/dbraw/zinc/43/87/42/500438742.db2.gz HNERIAYILCUSHZ-DBVUQKKJSA-N 2 0 351.494 3.250 20 0 FGADRP C[NH+](C)[C@H](CC(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000431903065 500441390 /nfs/dbraw/zinc/44/13/90/500441390.db2.gz MNKCMZOBCXPAST-FCHUYYIVSA-N 2 0 365.521 3.460 20 0 FGADRP CC(C)(C)c1ccc(OCCC[N@@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)cc1 ZINC000420325029 500441327 /nfs/dbraw/zinc/44/13/27/500441327.db2.gz HWQGGXGLBGJGID-IBGZPJMESA-N 2 0 360.542 3.440 20 0 FGADRP C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000420329870 500442747 /nfs/dbraw/zinc/44/27/47/500442747.db2.gz AAJBWDDPGDNAOA-HNAYVOBHSA-N 2 0 363.933 3.323 20 0 FGADRP O=C(C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1)NCC1(c2ccccc2)CCCC1 ZINC000420331576 500443104 /nfs/dbraw/zinc/44/31/04/500443104.db2.gz CECXRGGFIUFKMU-OAQYLSRUSA-N 2 0 369.553 3.079 20 0 FGADRP CCCN(Cc1ccc(C)cc1)C(=O)C[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420335003 500444236 /nfs/dbraw/zinc/44/42/36/500444236.db2.gz HAMYLCNKWNJHDH-NHCUHLMSSA-N 2 0 357.542 3.055 20 0 FGADRP CC(C)C[C@H](NC(=O)C[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)c1ccccc1 ZINC000420340153 500444856 /nfs/dbraw/zinc/44/48/56/500444856.db2.gz MSOOQJBYQJNIEX-HBMCJLEFSA-N 2 0 357.542 3.212 20 0 FGADRP CC[N@H+](Cc1ccc(C(=O)N2C[C@H]([NH3+])Cc3ccccc32)cc1)C(C)C ZINC000424086521 500450463 /nfs/dbraw/zinc/45/04/63/500450463.db2.gz ZHNGIJASGABCGK-HXUWFJFHSA-N 2 0 351.494 3.447 20 0 FGADRP CSc1ccc(OCC[NH+]2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)cc1 ZINC000420391108 500453986 /nfs/dbraw/zinc/45/39/86/500453986.db2.gz OARDNSUQZOWMND-QFBILLFUSA-N 2 0 350.528 3.006 20 0 FGADRP O=C(CC[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1)Nc1cccc(C(F)(F)F)c1 ZINC000420391749 500454317 /nfs/dbraw/zinc/45/43/17/500454317.db2.gz ZCEARICPBWNAKU-QGZVFWFLSA-N 2 0 355.404 3.110 20 0 FGADRP COc1ccc([C@@H](C[NH3+])C[NH2+][C@@H](C)c2cccc(-n3cccn3)c2)cc1 ZINC000420421312 500458472 /nfs/dbraw/zinc/45/84/72/500458472.db2.gz YQPHKLVTTJYFEW-LPHOPBHVSA-N 2 0 350.466 3.274 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccc2c(c1)CCC=C2 ZINC000576604194 506197104 /nfs/dbraw/zinc/19/71/04/506197104.db2.gz NTSUPCFDFQXMLJ-NRFANRHFSA-N 2 0 355.526 3.134 20 0 FGADRP Cc1cc(C[NH3+])cc(NC(=O)c2ccc(C[NH+]3CCSCC3)cc2)c1 ZINC000424233322 500473011 /nfs/dbraw/zinc/47/30/11/500473011.db2.gz FQGVCNLXUYFCGY-UHFFFAOYSA-N 2 0 355.507 3.255 20 0 FGADRP CCC[NH+]1CCC(NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000428146365 500474517 /nfs/dbraw/zinc/47/45/17/500474517.db2.gz OHNGXOFVUJLHTD-RXVVDRJESA-N 2 0 372.557 3.213 20 0 FGADRP COc1ccc([C@@H](C)[NH2+]C[C@@H](C(C)C)N2CC[NH+](C)CC2)c(Cl)c1 ZINC000424268594 500478167 /nfs/dbraw/zinc/47/81/67/500478167.db2.gz NUWULGWRKPKGDQ-BEFAXECRSA-N 2 0 353.938 3.271 20 0 FGADRP C[C@@H]1CC2(C[N@@H+]1CC(=O)N1CC[C@@H](C)Sc3ccccc31)CC[NH2+]CC2 ZINC000424298986 500483396 /nfs/dbraw/zinc/48/33/96/500483396.db2.gz VENKZJICLSBITB-IAGOWNOFSA-N 2 0 373.566 3.368 20 0 FGADRP C[C@@H]1[C@@H](NC(=O)N(C)CC[C@H]2CCCC[NH+]2C)CC[N@@H+]1Cc1ccccc1 ZINC000576612355 506198348 /nfs/dbraw/zinc/19/83/48/506198348.db2.gz JOXXKBGDTKYQDM-NRSPTQNISA-N 2 0 372.557 3.165 20 0 FGADRP CC(C)O[C@H](C[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1)c1ccccc1 ZINC000428283950 500491483 /nfs/dbraw/zinc/49/14/83/500491483.db2.gz CJIMOGOEZVZOAU-KSEOMHKRSA-N 2 0 359.558 3.111 20 0 FGADRP C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000424362587 500492066 /nfs/dbraw/zinc/49/20/66/500492066.db2.gz AHVLNMXCAAJPQT-NILFDRSVSA-N 2 0 354.292 3.026 20 0 FGADRP C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000424374813 500493155 /nfs/dbraw/zinc/49/31/55/500493155.db2.gz ZPNLHSVISMLLTG-KCPJHIHWSA-N 2 0 354.292 3.026 20 0 FGADRP CC1CC[NH+](Cc2ccc(CNC(=O)N(C)C[C@@H]3CCC[N@@H+]3C)cc2)CC1 ZINC000420755293 500495327 /nfs/dbraw/zinc/49/53/27/500495327.db2.gz CNFDJEWZIWRXJQ-NRFANRHFSA-N 2 0 372.557 3.154 20 0 FGADRP C[NH+](C)C1CCC(NC(=O)NCC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000420776968 500498548 /nfs/dbraw/zinc/49/85/48/500498548.db2.gz GHBATLCSJTYCSI-UHFFFAOYSA-N 2 0 372.557 3.071 20 0 FGADRP CCOc1cc(C[NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)ccc1OC(F)F ZINC000432364982 500505811 /nfs/dbraw/zinc/50/58/11/500505811.db2.gz OUSNVMIPSVNKFN-HNNXBMFYSA-N 2 0 372.456 3.277 20 0 FGADRP CCNC(=O)C(C)(C)C[NH2+][C@@H]1CCCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000428457949 500512520 /nfs/dbraw/zinc/51/25/20/500512520.db2.gz IAJUZXYAETXXGG-QHAWAJNXSA-N 2 0 371.569 3.429 20 0 FGADRP CC[NH+](CC)[C@H](C(=O)N1CCC[C@H](C[NH3+])C1)c1cccc(C(F)(F)F)c1 ZINC000428522047 500520073 /nfs/dbraw/zinc/52/00/73/500520073.db2.gz ABVFGDBQIOQJQB-PBHICJAKSA-N 2 0 371.447 3.286 20 0 FGADRP CC[NH+]1CCC(N2CCC[N@H+](CCCOCCc3ccccc3)CC2)CC1 ZINC000420975401 500545308 /nfs/dbraw/zinc/54/53/08/500545308.db2.gz FWPKLFZCCYOSJH-UHFFFAOYSA-N 2 0 373.585 3.128 20 0 FGADRP C[NH+](C)CCN(Cc1ccco1)C(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000447239083 500579635 /nfs/dbraw/zinc/57/96/35/500579635.db2.gz MFZXMMOXFKNDPG-UHFFFAOYSA-N 2 0 364.534 3.007 20 0 FGADRP OCCOc1ccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cc1 ZINC000447578872 500628092 /nfs/dbraw/zinc/62/80/92/500628092.db2.gz HXTSDWKXZCCHQS-DKUWSORSSA-N 2 0 366.505 3.343 20 0 FGADRP Cc1nc(-c2ccccc2F)sc1[C@H](C)[NH2+]CCOCC[NH+](C)C ZINC000447592856 500630821 /nfs/dbraw/zinc/63/08/21/500630821.db2.gz OCPIXIRDSMREPC-ZDUSSCGKSA-N 2 0 351.491 3.486 20 0 FGADRP [NH3+]C1CC[NH+](CCCC(=O)N[C@@H](c2ccc(F)cc2)C2CCCC2)CC1 ZINC000433120562 500630787 /nfs/dbraw/zinc/63/07/87/500630787.db2.gz ZHOPTEZRXUKGRI-OAQYLSRUSA-N 2 0 361.505 3.377 20 0 FGADRP [NH3+]C1CC[NH+](CCCC(=O)Nc2cccc(N3CCCCCC3)c2)CC1 ZINC000433159080 500636932 /nfs/dbraw/zinc/63/69/32/500636932.db2.gz RDXMINMGZJQOAW-UHFFFAOYSA-N 2 0 358.530 3.209 20 0 FGADRP COc1ccc([C@H]([NH2+]CCN2CC[N@H+](C)C(C)(C)C2)c2ccccc2)cc1 ZINC000442875987 500638204 /nfs/dbraw/zinc/63/82/04/500638204.db2.gz QEDCACJLWPSRLY-JOCHJYFZSA-N 2 0 367.537 3.400 20 0 FGADRP C[NH+](C)Cc1ccccc1C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000433229880 500651229 /nfs/dbraw/zinc/65/12/29/500651229.db2.gz SQOXMPLICOAXIX-UHFFFAOYSA-N 2 0 351.494 3.274 20 0 FGADRP [NH3+]CC[C@@H]1CCC[N@H+](Cc2nc(-c3cccc(C(F)(F)F)c3)no2)C1 ZINC000443064329 500672812 /nfs/dbraw/zinc/67/28/12/500672812.db2.gz XYQZSCPJSURHPE-LBPRGKRZSA-N 2 0 354.376 3.316 20 0 FGADRP CC(C)C[NH+]1CCC(NC(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)CC1 ZINC000437637780 500673189 /nfs/dbraw/zinc/67/31/89/500673189.db2.gz WSKWTPIGXQWTPC-HXUWFJFHSA-N 2 0 364.578 3.203 20 0 FGADRP C[C@@H](C(=O)N(c1nccs1)C1CCCCC1)[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443073194 500675400 /nfs/dbraw/zinc/67/54/00/500675400.db2.gz OXZGKDOKTUXEJP-JKSUJKDBSA-N 2 0 364.559 3.258 20 0 FGADRP c1ccc(COc2ccc(C[N@@H+]3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)cc2)nc1 ZINC000573564644 506212619 /nfs/dbraw/zinc/21/26/19/506212619.db2.gz HRVNAXHTILREGU-UXHICEINSA-N 2 0 351.494 3.482 20 0 FGADRP C[C@@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+]C1CCC([NH3+])CC1 ZINC000437802542 500698818 /nfs/dbraw/zinc/69/88/18/500698818.db2.gz RGBFKLVVLZGPSP-HIFPTAJRSA-N 2 0 359.392 3.162 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)NC[C@@H]1[NH+](C)CCCC1(C)C ZINC000447982214 500701098 /nfs/dbraw/zinc/70/10/98/500701098.db2.gz JJWBSPPPHYOIHF-MSOLQXFVSA-N 2 0 352.567 3.061 20 0 FGADRP CC[NH+](CC)CCOc1ccc(NC(=O)N[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000438051476 500731539 /nfs/dbraw/zinc/73/15/39/500731539.db2.gz QWQWSTPOKCDBSC-WMZOPIPTSA-N 2 0 362.518 3.011 20 0 FGADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)NCCC[NH+](C)Cc2ccccc2)C1 ZINC000448204733 500732708 /nfs/dbraw/zinc/73/27/08/500732708.db2.gz MDOGZGDZACPPLX-OAQYLSRUSA-N 2 0 374.573 3.176 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@@H]1CCCc2sccc21 ZINC000434189675 500808709 /nfs/dbraw/zinc/80/87/09/500808709.db2.gz OFSMSPGCJFIHLZ-SJLPKXTDSA-N 2 0 363.571 3.043 20 0 FGADRP CC(C)[C@@H](c1ccc(F)cc1)[N@H+](C)CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000434619887 500866988 /nfs/dbraw/zinc/86/69/88/500866988.db2.gz HFNZVJLUHXAEDE-NRFANRHFSA-N 2 0 363.521 3.444 20 0 FGADRP CCOC(=O)c1cc(C[NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)[nH]c1C ZINC000449066608 500915951 /nfs/dbraw/zinc/91/59/51/500915951.db2.gz DFSSRMNUPGIYEW-UHFFFAOYSA-N 2 0 355.482 3.385 20 0 FGADRP CC1(C)CCC[N@H+](CCNC(=O)NCc2ccccc2C[NH+]2CCCC2)C1 ZINC000444883050 500916732 /nfs/dbraw/zinc/91/67/32/500916732.db2.gz UPCVUDAIHFJXEK-UHFFFAOYSA-N 2 0 372.557 3.204 20 0 FGADRP CC(C)C(=O)N1CCC([NH2+]C2CC[NH+]([C@@H](C)Cc3ccccc3)CC2)CC1 ZINC000449075068 500917805 /nfs/dbraw/zinc/91/78/05/500917805.db2.gz MGIZVORPDCSXAZ-IBGZPJMESA-N 2 0 371.569 3.319 20 0 FGADRP COCC[N@H+](C)CCC[NH2+]Cc1ccnc2c(Br)cccc12 ZINC000449075643 500918743 /nfs/dbraw/zinc/91/87/43/500918743.db2.gz FRYHPIKRSVUAJL-UHFFFAOYSA-N 2 0 366.303 3.055 20 0 FGADRP C[C@@H]1[C@H](NC(=O)N(CC[NH+](C)C)C2CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000582439981 506224254 /nfs/dbraw/zinc/22/42/54/506224254.db2.gz YLYWZOZEFAJTAV-WIYYLYMNSA-N 2 0 372.557 3.165 20 0 FGADRP CC[NH+]1CCN(c2ccc(C[NH2+]C[C@@H](C)c3cc(F)cc(F)c3)cn2)CC1 ZINC000449082194 500920455 /nfs/dbraw/zinc/92/04/55/500920455.db2.gz LITFSMVTAJTZAX-MRXNPFEDSA-N 2 0 374.479 3.395 20 0 FGADRP c1cc2cccc(C[NH2+]CCCN3CCN(c4cc[nH+]cc4)CC3)c2o1 ZINC000449105715 500926690 /nfs/dbraw/zinc/92/66/90/500926690.db2.gz FEKSJODGXPCAKH-UHFFFAOYSA-N 2 0 350.466 3.130 20 0 FGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+][C@@H]2CSC[C@H]2C)CC1 ZINC000449132509 500932012 /nfs/dbraw/zinc/93/20/12/500932012.db2.gz UUCKXFHWFOTTQV-RVKKMQEKSA-N 2 0 351.535 3.370 20 0 FGADRP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]CCCN2CCCCC2=O)CC1 ZINC000449137573 500933219 /nfs/dbraw/zinc/93/32/19/500933219.db2.gz YKMZHSUVRQQYOG-IBGZPJMESA-N 2 0 357.542 3.074 20 0 FGADRP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@H]2CCC[C@H](C(=O)N(C)C)C2)CC1 ZINC000449156350 500936363 /nfs/dbraw/zinc/93/63/63/500936363.db2.gz SGOHEPWGAJAWMY-CBQOVEMMSA-N 2 0 371.569 3.319 20 0 FGADRP C[C@H]1CSC[C@@H]1[NH2+]Cc1cc(C(F)(F)F)ccc1N1CC[NH+](C)CC1 ZINC000449155366 500936675 /nfs/dbraw/zinc/93/66/75/500936675.db2.gz PJRXJLCVBKLNCN-BBRMVZONSA-N 2 0 373.488 3.298 20 0 FGADRP [NH3+]CC1CC[NH+](Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)CC1 ZINC000435368627 500960841 /nfs/dbraw/zinc/96/08/41/500960841.db2.gz BVQRCGCAGQKQSZ-UHFFFAOYSA-N 2 0 352.404 3.121 20 0 FGADRP COc1ccc(C(=O)Nc2cccc(C[N@@H+]3CC[C@@H]([C@H](C)[NH3+])C3)c2)cc1 ZINC000435370230 500961436 /nfs/dbraw/zinc/96/14/36/500961436.db2.gz IBIYOHVLUZOXSH-MAUKXSAKSA-N 2 0 353.466 3.117 20 0 FGADRP CC[NH2+]CC1CC[NH+](Cc2cc(OC)ccc2OCc2ccccn2)CC1 ZINC000435380882 500963752 /nfs/dbraw/zinc/96/37/52/500963752.db2.gz UFJXIPMHMMKIHQ-UHFFFAOYSA-N 2 0 369.509 3.491 20 0 FGADRP Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000435380999 500964175 /nfs/dbraw/zinc/96/41/75/500964175.db2.gz UHPLKIYONWCBNE-VDGAXYAQSA-N 2 0 358.917 3.371 20 0 FGADRP C[C@H]([NH3+])[C@H]1CCCN(Cc2cn(-c3cccc(Cl)c3Cl)nn2)C1 ZINC000435385877 500965066 /nfs/dbraw/zinc/96/50/66/500965066.db2.gz RYHDNAKTMLPPRN-RYUDHWBXSA-N 2 0 354.285 3.133 20 0 FGADRP CCOc1cc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)ccc1OCC(F)(F)F ZINC000435389026 500965899 /nfs/dbraw/zinc/96/58/99/500965899.db2.gz KIGMFVASVNMKGC-KKUMJFAQSA-N 2 0 358.404 3.196 20 0 FGADRP CCOC(=O)c1cc(C[NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)[nH]c1C ZINC000449296309 500969161 /nfs/dbraw/zinc/96/91/61/500969161.db2.gz YOOBJXZLPQFPKT-GOSISDBHSA-N 2 0 355.482 3.112 20 0 FGADRP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+][C@@H](CO)C[C@H](O)C(C)(C)C)CC1 ZINC000449313018 500973937 /nfs/dbraw/zinc/97/39/37/500973937.db2.gz OBALCNDJRBCENI-MSOLQXFVSA-N 2 0 356.595 3.413 20 0 FGADRP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@@H]2CCC(=O)N[C@H]2C(C)(C)C)CC1 ZINC000449318177 500976225 /nfs/dbraw/zinc/97/62/25/500976225.db2.gz FOXZRQYVSQIJOJ-NQSCKRDGSA-N 2 0 371.569 3.365 20 0 FGADRP Cc1cccc(CC[NH+]2CCC(OCCN3C[C@@H](C)O[C@@H](C)C3)CC2)c1 ZINC000449323809 500977863 /nfs/dbraw/zinc/97/78/63/500977863.db2.gz AZEJZQRQZFWYFR-BGYRXZFFSA-N 2 0 360.542 3.128 20 0 FGADRP CN(CCC[N@H+](C)Cc1cnc(-c2ccccc2F)s1)CC[NH+](C)C ZINC000449327227 500978438 /nfs/dbraw/zinc/97/84/38/500978438.db2.gz BYOMFRQSZPHELZ-UHFFFAOYSA-N 2 0 364.534 3.265 20 0 FGADRP CCO[C@@H]1CC[N@H+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)C[C@H]1C ZINC000449490819 501015548 /nfs/dbraw/zinc/01/55/48/501015548.db2.gz CZZSNDOMZJJWHR-XMSQKQJNSA-N 2 0 359.558 3.464 20 0 FGADRP COc1cc(Br)c(C[NH2+]C(C)(C)CCC[NH+](C)C)cc1O ZINC000449529649 501026258 /nfs/dbraw/zinc/02/62/58/501026258.db2.gz YRAJDAKZAFWQGF-UHFFFAOYSA-N 2 0 359.308 3.373 20 0 FGADRP CC[NH+](CC)CCOC1CC[NH+](Cc2cncn2Cc2ccccc2)CC1 ZINC000445812028 501035768 /nfs/dbraw/zinc/03/57/68/501035768.db2.gz VHMKXCCBBFWBGK-UHFFFAOYSA-N 2 0 370.541 3.254 20 0 FGADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@H]2CCO[C@@H](c3ccnn3C)C2)CC1 ZINC000449597308 501040428 /nfs/dbraw/zinc/04/04/28/501040428.db2.gz ZAHFJNXIZSXHQZ-BOFXEDATSA-N 2 0 360.546 3.273 20 0 FGADRP C[C@@H]1CN(Cc2ccccc2)C[C@H]1[NH2+][C@@H]1CCO[C@@H](c2ccccn2)C1 ZINC000449613906 501043715 /nfs/dbraw/zinc/04/37/15/501043715.db2.gz DQFPTMGALDMOSD-JHMKDJTOSA-N 2 0 351.494 3.412 20 0 FGADRP C[NH+](C)[C@H](CNC(=O)C[NH2+][C@@H]1CCC[C@H]1c1ccccc1)c1ccccc1 ZINC000446002792 501061403 /nfs/dbraw/zinc/06/14/03/501061403.db2.gz PENBSNFHPVMXID-BHDDXSALSA-N 2 0 365.521 3.331 20 0 FGADRP C[NH+](C)CCc1ccccc1NC(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000446589539 501138401 /nfs/dbraw/zinc/13/84/01/501138401.db2.gz KWRYGIUHXMDVDZ-LJQANCHMSA-N 2 0 358.530 3.177 20 0 FGADRP CC[NH+](CC)CCOc1ccccc1NC(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000607721814 506238024 /nfs/dbraw/zinc/23/80/24/506238024.db2.gz VDAPBCUJGQUSAS-IAGOWNOFSA-N 2 0 362.518 3.011 20 0 FGADRP CC[NH+]1CCN(Cc2ccccc2C[NH2+][C@@H](COC)C2CCCC2)CC1 ZINC000446744933 501159957 /nfs/dbraw/zinc/15/99/57/501159957.db2.gz KQHJKELEFXOUOX-QFIPXVFZSA-N 2 0 359.558 3.119 20 0 FGADRP Brc1cc2c(cc1C[NH2+]CC1CC[NH+](C3CC3)CC1)OCO2 ZINC000446882773 501176679 /nfs/dbraw/zinc/17/66/79/501176679.db2.gz BXBHSVSLQITBMV-UHFFFAOYSA-N 2 0 367.287 3.142 20 0 FGADRP CCC[N@H+](CCN1CC[NH+](CC)CC1)Cc1ccc(Cl)c(OC)c1 ZINC000451037677 501241190 /nfs/dbraw/zinc/24/11/90/501241190.db2.gz QCOZAKMQFGCIMB-UHFFFAOYSA-N 2 0 353.938 3.198 20 0 FGADRP CC[NH+](Cc1cc(C[N@@H+](CC)[C@H]2CCOC2)ccc1F)[C@H]1CCOC1 ZINC000451047665 501241783 /nfs/dbraw/zinc/24/17/83/501241783.db2.gz CZIXMKMQOZJZJU-OALUTQOASA-N 2 0 350.478 3.047 20 0 FGADRP COC1([C@@H](C)[NH2+]CC2CC[NH+](Cc3cccs3)CC2)CCOCC1 ZINC000453080189 501264688 /nfs/dbraw/zinc/26/46/88/501264688.db2.gz DSPJSFGJVPIZKM-MRXNPFEDSA-N 2 0 352.544 3.134 20 0 FGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@@H](C)c2cc(-c3ccccc3)nn2C)CC1 ZINC000453103309 501269361 /nfs/dbraw/zinc/26/93/61/501269361.db2.gz BWTZPIHQVNOYCM-OALUTQOASA-N 2 0 369.557 3.011 20 0 FGADRP C[C@H](Cc1cnccn1)[NH2+]Cc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000453118894 501272738 /nfs/dbraw/zinc/27/27/38/501272738.db2.gz JMSZVTLXPCCVPY-QGZVFWFLSA-N 2 0 350.466 3.422 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)NCC[C@H]1CCC[N@H+](C)C1)c1ccsc1 ZINC000457698594 501289771 /nfs/dbraw/zinc/28/97/71/501289771.db2.gz ZCIGDXYYYFICGH-AEFFLSMTSA-N 2 0 366.575 3.162 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)NC(C)(C)CCC[NH+](C)C)C1 ZINC000457734791 501297559 /nfs/dbraw/zinc/29/75/59/501297559.db2.gz KWAMYYUSRVXIQN-HDICACEKSA-N 2 0 354.583 3.164 20 0 FGADRP Cc1c([C@@H](C)[NH2+]C[C@@H]2CCCCN2CCO)cnn1-c1cc(C)ccc1C ZINC000453278817 501306844 /nfs/dbraw/zinc/30/68/44/501306844.db2.gz ZKDNYNPVMFOUAW-QUCCMNQESA-N 2 0 370.541 3.295 20 0 FGADRP CC(C)[NH+]1CCN(CCC[NH2+][C@H]2C[C@H](OCc3ccccc3)C2(C)C)CC1 ZINC000451498074 501307151 /nfs/dbraw/zinc/30/71/51/501307151.db2.gz NDQBCUMGQBINRQ-VXKWHMMOSA-N 2 0 373.585 3.376 20 0 FGADRP C[NH+](C)CCCC(C)(C)NC(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000457804729 501312667 /nfs/dbraw/zinc/31/26/67/501312667.db2.gz UMPYDTIHEFFHHY-LJQANCHMSA-N 2 0 360.546 3.071 20 0 FGADRP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000455483349 501315461 /nfs/dbraw/zinc/31/54/61/501315461.db2.gz XLZQXMORLJDNBZ-BRIRTLKKSA-N 2 0 370.541 3.136 20 0 FGADRP Cc1ncccc1NC(=O)[C@H](C)[NH2+][C@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000453414467 501326660 /nfs/dbraw/zinc/32/66/60/501326660.db2.gz BCXQDIZTEJLVDR-WBVHZDCISA-N 2 0 370.497 3.008 20 0 FGADRP COc1cc(C[NH2+]CCCC[N@H+](C)C2CC2)cc(Br)c1O ZINC000453606213 501359699 /nfs/dbraw/zinc/35/96/99/501359699.db2.gz VICDQMRWVFETPG-UHFFFAOYSA-N 2 0 357.292 3.127 20 0 FGADRP O=C(C[N@H+](Cc1ccoc1)C1CCCCC1)NC1CC[NH+](C2CC2)CC1 ZINC000607742545 506248368 /nfs/dbraw/zinc/24/83/68/506248368.db2.gz MVYFMIDELPKVKB-UHFFFAOYSA-N 2 0 359.514 3.157 20 0 FGADRP C[C@@H](C(=O)NCC[C@H]1CCC[N@H+](C)C1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000458172537 501384453 /nfs/dbraw/zinc/38/44/53/501384453.db2.gz QUEXZQNDVCRSLG-SIKLNZKXSA-N 2 0 371.569 3.178 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N1CC[NH+](C2CCCC2)CC1)c1ccccc1 ZINC000611673542 506250492 /nfs/dbraw/zinc/25/04/92/506250492.db2.gz KZHNPTLKKAMTSB-OAQYLSRUSA-N 2 0 372.557 3.339 20 0 FGADRP C[C@@H](CNC(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C)[N@@H+]1CCC[C@@H](C)C1 ZINC000455912456 501413783 /nfs/dbraw/zinc/41/37/83/501413783.db2.gz JOIYXPMSQZHHCK-GQIGUUNPSA-N 2 0 358.530 3.477 20 0 FGADRP C[C@@H]1CCC(C)(C)[N@@H+]1CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000452019750 501419677 /nfs/dbraw/zinc/41/96/77/501419677.db2.gz YZNHNUMFDMFLKM-MRXNPFEDSA-N 2 0 361.555 3.437 20 0 FGADRP C[C@@H](CCNC(=O)NCc1ccc2c[nH+]cn2c1)[N@H+](C)Cc1ccccc1 ZINC000458509777 501461991 /nfs/dbraw/zinc/46/19/91/501461991.db2.gz PCGZWGIUXVQQHL-KRWDZBQOSA-N 2 0 365.481 3.044 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)NC(C)(C)C[NH+]1CCCC1 ZINC000458522836 501465407 /nfs/dbraw/zinc/46/54/07/501465407.db2.gz YKYZSWDDSBZITK-UYAOXDASSA-N 2 0 372.557 3.071 20 0 FGADRP C[NH+](C)CCCC(C)(C)NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000456206347 501474974 /nfs/dbraw/zinc/47/49/74/501474974.db2.gz QRWSMTNQNNXXGZ-GOSISDBHSA-N 2 0 363.521 3.274 20 0 FGADRP C[NH+](C)CCCC(C)(C)NC(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000458729792 501517037 /nfs/dbraw/zinc/51/70/37/501517037.db2.gz JNUXPJGYOWAAGW-SFHVURJKSA-N 2 0 352.567 3.203 20 0 FGADRP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCCCCC[NH+]2CCCC2)C1 ZINC000454367399 501524799 /nfs/dbraw/zinc/52/47/99/501524799.db2.gz DUAZJQAGKGSQAO-SFHVURJKSA-N 2 0 352.567 3.062 20 0 FGADRP C[N@H+](Cc1ccccc1)C1(CNC(=O)C2CC[NH+](C3CC3)CC2)CCC1 ZINC000452736241 501553975 /nfs/dbraw/zinc/55/39/75/501553975.db2.gz YTCAMAZXAJEFCG-UHFFFAOYSA-N 2 0 355.526 3.032 20 0 FGADRP C[NH+]1CCC(N(Cc2ccccc2)C(=O)NCC[C@H]2CCC[N@H+](C)C2)CC1 ZINC000459263206 501621393 /nfs/dbraw/zinc/62/13/93/501621393.db2.gz MCIVCLWCSRNVNY-HXUWFJFHSA-N 2 0 372.557 3.024 20 0 FGADRP COC(=O)c1cc2c(o1)c(OC)ccc2C[NH2+]C[C@@H]1CCCC[N@H+](C)C1 ZINC000598993896 506266323 /nfs/dbraw/zinc/26/63/23/506266323.db2.gz DQKZMGLXMPIMFX-AWEZNQCLSA-N 2 0 360.454 3.050 20 0 FGADRP C[NH+](C)CC(=O)N1CCCCC[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000457194462 501663913 /nfs/dbraw/zinc/66/39/13/501663913.db2.gz KLMLGJNZZRJJID-OAQYLSRUSA-N 2 0 357.542 3.231 20 0 FGADRP CC[C@H](C)[NH+]1CCN(C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)CC1 ZINC000457488428 501708807 /nfs/dbraw/zinc/70/88/07/501708807.db2.gz KAULMBKUJYCJPV-IRXDYDNUSA-N 2 0 364.559 3.011 20 0 FGADRP C[N@@H+]1CCC[C@H](CCNC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000457515779 501714662 /nfs/dbraw/zinc/71/46/62/501714662.db2.gz BOVLBEAHYFZPJB-HXUWFJFHSA-N 2 0 372.557 3.204 20 0 FGADRP Cc1ccc(CCC[N@@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)cn1 ZINC000474269967 501768609 /nfs/dbraw/zinc/76/86/09/501768609.db2.gz IHCNQASJBOMUPD-UHFFFAOYSA-N 3 0 372.601 3.451 20 0 FGADRP Cc1cccc(C[C@H](CO)[NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)c1 ZINC000467353856 501775534 /nfs/dbraw/zinc/77/55/34/501775534.db2.gz BDOGAUCHSSZOBQ-MOUTVQLLSA-N 2 0 364.533 3.399 20 0 FGADRP Cc1ccc(C[C@H](CO)[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)cc1 ZINC000467369508 501778566 /nfs/dbraw/zinc/77/85/66/501778566.db2.gz ZAABKNLYSOMRBX-UARRHKHWSA-N 2 0 364.533 3.399 20 0 FGADRP Cc1cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)ccc1I ZINC000467381973 501781452 /nfs/dbraw/zinc/78/14/52/501781452.db2.gz OBPFMBHLBTZHGT-GJZGRUSLSA-N 2 0 370.278 3.316 20 0 FGADRP C[C@@H]1CC[C@H]([NH2+]Cc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)C[C@H]1C ZINC000463736994 501806280 /nfs/dbraw/zinc/80/62/80/501806280.db2.gz XOCAXFYBSWAJGJ-DGQTTZFYSA-N 2 0 357.542 3.298 20 0 FGADRP CCS[C@@H]1CCCC[N@H+](CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000460385788 501811312 /nfs/dbraw/zinc/81/13/12/501811312.db2.gz GCWSVTBCFSEHOF-RTBURBONSA-N 2 0 363.571 3.013 20 0 FGADRP O=C(C[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2)NC1CCCCC1 ZINC000485497993 501838008 /nfs/dbraw/zinc/83/80/08/501838008.db2.gz YMMOAUVCOQWUKS-UHFFFAOYSA-N 2 0 369.553 3.423 20 0 FGADRP CCOC[C@H]1CCC[C@H]1[NH2+]Cc1ccccc1CN1CC[NH+](CC)CC1 ZINC000474464488 501844968 /nfs/dbraw/zinc/84/49/68/501844968.db2.gz POTKKULXSZNUDL-FGZHOGPDSA-N 2 0 359.558 3.119 20 0 FGADRP CC[C@@H](C[N@H+](CC)CC(=O)NC1CC[NH+](C2CC2)CC1)c1ccccc1 ZINC000481733834 501868354 /nfs/dbraw/zinc/86/83/54/501868354.db2.gz JNXPLWZNEWXIBZ-SFHVURJKSA-N 2 0 357.542 3.245 20 0 FGADRP O[C@H](CCc1ccccc1)C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000470993045 501885497 /nfs/dbraw/zinc/88/54/97/501885497.db2.gz AYUGVMCQBAPVLH-XPWALMASSA-N 2 0 350.506 3.044 20 0 FGADRP O=C(CC[N@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1)Nc1cccc(F)c1 ZINC000470994213 501886729 /nfs/dbraw/zinc/88/67/29/501886729.db2.gz DPZPEUHANGCPED-KDURUIRLSA-N 2 0 367.468 3.218 20 0 FGADRP CCCC[N@H+](C)C[C@@H](C)NC(=O)N[C@@H](C)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000460659855 501888125 /nfs/dbraw/zinc/88/81/25/501888125.db2.gz XQDUFRQYZIHUKV-SQNIBIBYSA-N 2 0 352.567 3.059 20 0 FGADRP C[C@H]1CCC[C@](CNC(=O)c2ccc(Nc3cc[nH+]cc3)cc2)([NH+](C)C)C1 ZINC000467958602 501913283 /nfs/dbraw/zinc/91/32/83/501913283.db2.gz KTLQAWGDYMBYJQ-JTSKRJEESA-N 2 0 366.509 3.487 20 0 FGADRP C[C@@H]([NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1)C1C(C)(C)C1(C)C ZINC000474729145 501934784 /nfs/dbraw/zinc/93/47/84/501934784.db2.gz NVGFGYCOWJKURE-QGZVFWFLSA-N 2 0 359.562 3.039 20 0 FGADRP CCC[C@@H]([NH2+]C(C)C)C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000468089342 501952504 /nfs/dbraw/zinc/95/25/04/501952504.db2.gz VOWWTYIVGOVGIU-LJQANCHMSA-N 2 0 363.571 3.383 20 0 FGADRP C[C@H]([NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1)C1C(C)(C)C1(C)C ZINC000474810548 501960491 /nfs/dbraw/zinc/96/04/91/501960491.db2.gz PHJSBIXTOYFNFL-HNNXBMFYSA-N 2 0 351.579 3.273 20 0 FGADRP CN(C(=O)NCC(C)(C)C[NH+]1CCCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000478408687 501971662 /nfs/dbraw/zinc/97/16/62/501971662.db2.gz VSOKVJQERRWSIR-FQEVSTJZSA-N 2 0 372.557 3.024 20 0 FGADRP C[C@H](C[N@H+](C)CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)c1ccccc1 ZINC000475033790 502028093 /nfs/dbraw/zinc/02/80/93/502028093.db2.gz SJABYYTVKBHVLN-NQIIRXRSSA-N 2 0 353.510 3.141 20 0 FGADRP CC[NH+](CC)C[C@@H]1CCN(C(=O)c2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000464653822 502056137 /nfs/dbraw/zinc/05/61/37/502056137.db2.gz XIKGCOFOWSLSGK-FQEVSTJZSA-N 2 0 357.542 3.476 20 0 FGADRP CCc1ccc([C@H](C)[NH2+]CCCC[NH+]2CCN(c3ncccn3)CC2)cc1 ZINC000482436064 502067624 /nfs/dbraw/zinc/06/76/24/502067624.db2.gz IMBBNHPDXIEMTP-IBGZPJMESA-N 2 0 367.541 3.292 20 0 FGADRP Cc1cccc([C@H](C)[NH2+]CCCC[NH+]2CCN(c3ncccn3)CC2)c1 ZINC000482449169 502070390 /nfs/dbraw/zinc/07/03/90/502070390.db2.gz PBAAFMDKHAFODD-IBGZPJMESA-N 2 0 353.514 3.038 20 0 FGADRP CC(C)=CCOc1ccc(CC[C@H](C)[NH2+]CC2(O)CC[NH+](C)CC2)cc1 ZINC000468552999 502102627 /nfs/dbraw/zinc/10/26/27/502102627.db2.gz JRRXHWYFIACZPW-IBGZPJMESA-N 2 0 360.542 3.399 20 0 FGADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000486265189 502104747 /nfs/dbraw/zinc/10/47/47/502104747.db2.gz GCGIFQABBHVMDU-UGKGYDQZSA-N 2 0 371.569 3.035 20 0 FGADRP CC[C@H](C(=O)NC1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C)[NH+](CC)CC ZINC000461451932 502119278 /nfs/dbraw/zinc/11/92/78/502119278.db2.gz GOVAZFMJJJWADX-QWFCFKBJSA-N 2 0 359.558 3.380 20 0 FGADRP [NH3+]C[C@H](Cc1ccccc1)[C@H]1CCCCN1C(=O)C[C@H]([NH3+])c1ccccc1 ZINC000471791591 502137540 /nfs/dbraw/zinc/13/75/40/502137540.db2.gz WMKNAWCQAGTMSM-FDFHNCONSA-N 2 0 365.521 3.275 20 0 FGADRP CC[NH+]1CCC(NC(=O)C[N@H+](C)C2c3ccccc3-c3ccccc32)CC1 ZINC000464885652 502138093 /nfs/dbraw/zinc/13/80/93/502138093.db2.gz IZOADIGINORLJI-UHFFFAOYSA-N 2 0 363.505 3.289 20 0 FGADRP C[NH+]1CCC(O)(C[NH2+][C@@H]2CC(C)(C)c3ccc(Br)cc32)CC1 ZINC000479058772 502150798 /nfs/dbraw/zinc/15/07/98/502150798.db2.gz KAOXGAZEZYNPMR-MRXNPFEDSA-N 2 0 367.331 3.218 20 0 FGADRP C[C@@H]1C[NH+](Cc2ccccc2C[NH2+][C@@H]2CCCc3nn(C)cc32)C[C@@H](C)O1 ZINC000479064113 502151703 /nfs/dbraw/zinc/15/17/03/502151703.db2.gz GHABNZZHGHSZJA-CBGDNZLLSA-N 2 0 368.525 3.197 20 0 FGADRP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC000464947088 502153594 /nfs/dbraw/zinc/15/35/94/502153594.db2.gz DJTJYWHTEFBPER-RBUKOAKNSA-N 2 0 366.594 3.164 20 0 FGADRP CCc1cc(NC(=O)N(CC[NH+](C)C)C[C@@H]2CCC[N@H+]2CC)ccc1F ZINC000486439687 502154083 /nfs/dbraw/zinc/15/40/83/502154083.db2.gz YPVRMCUEPGBKSY-SFHVURJKSA-N 2 0 364.509 3.268 20 0 FGADRP COc1cc(Cl)ccc1C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000482770805 502176124 /nfs/dbraw/zinc/17/61/24/502176124.db2.gz JRZVAEKEJGTUBR-UHFFFAOYSA-N 2 0 352.906 3.425 20 0 FGADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)[C@H](C[NH3+])c1ccc(F)cc1)c1ccccc1 ZINC000479221146 502196663 /nfs/dbraw/zinc/19/66/63/502196663.db2.gz IJCCWCVRRVGMDQ-DNVCBOLYSA-N 2 0 357.473 3.114 20 0 FGADRP CCN(CCC[NH+](CC)CC)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000472051712 502211982 /nfs/dbraw/zinc/21/19/82/502211982.db2.gz IJKSCEKNBNLTMR-UXHICEINSA-N 2 0 360.546 3.195 20 0 FGADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N(CC[NH+](C)C)Cc1cccc(Cl)c1 ZINC000461974992 502259341 /nfs/dbraw/zinc/25/93/41/502259341.db2.gz RILVYHNUXOITFL-HZPDHXFCSA-N 2 0 351.922 3.103 20 0 FGADRP C[C@@H]1C[C@H](C)[C@@H](C)[N@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000475725135 502265820 /nfs/dbraw/zinc/26/58/20/502265820.db2.gz XYMSWCQLKGLSGI-CEXWTWQISA-N 2 0 357.542 3.265 20 0 FGADRP C[C@@H](C[NH+]1CCCCCC1)NC(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000472195879 502266141 /nfs/dbraw/zinc/26/61/41/502266141.db2.gz VWJPWFLBMIUZNX-FPOVZHCZSA-N 2 0 372.557 3.072 20 0 FGADRP C[C@H]1C[C@@H](CCNC(=O)CC2CC[NH+](C)CC2)C[N@@H+]1Cc1ccccc1 ZINC000486910452 502300456 /nfs/dbraw/zinc/30/04/56/502300456.db2.gz HYKRGKUYFRIWFK-GHTZIAJQSA-N 2 0 357.542 3.135 20 0 FGADRP CC[C@H](CCc1ccc(Br)cc1)[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000462123818 502315197 /nfs/dbraw/zinc/31/51/97/502315197.db2.gz RWKDGPZRXFNEEW-QGZVFWFLSA-N 2 0 369.347 3.207 20 0 FGADRP CC1CC[NH+]([C@H](CNC(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)c2ccccc2)CC1 ZINC000465721452 502359868 /nfs/dbraw/zinc/35/98/68/502359868.db2.gz KGYFMGUKBQXRQJ-CEWLAPEOSA-N 2 0 372.557 3.242 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CNC(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000465813830 502392824 /nfs/dbraw/zinc/39/28/24/502392824.db2.gz OSGVWIDCZVIKBB-NRFANRHFSA-N 2 0 372.557 3.346 20 0 FGADRP CCc1ccc([C@H](CNC(=O)N(C)[C@H]2CC[N@@H+](CC)[C@H](C)C2)[NH+](C)C)cc1 ZINC000483513093 502416114 /nfs/dbraw/zinc/41/61/14/502416114.db2.gz BGNYTCRBNQEHQL-QMMLZNLJSA-N 2 0 374.573 3.366 20 0 FGADRP O=C(CC[N@@H+]1CC[C@]2(CC[NH2+]C2)C1)Nc1ccccc1Oc1ccccc1 ZINC000462396133 502420510 /nfs/dbraw/zinc/42/05/10/502420510.db2.gz NXVQUCUHJWVWKB-QFIPXVFZSA-N 2 0 365.477 3.493 20 0 FGADRP COc1cc2c(cc1F)[nH+]ccc2N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000479959260 502431024 /nfs/dbraw/zinc/43/10/24/502431024.db2.gz CZMSAYFOABIOCH-UHFFFAOYSA-N 2 0 373.472 3.321 20 0 FGADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)NCc2cccc(C[NH+]3CCCC3)c2)C[C@@H]1C ZINC000483683313 502462046 /nfs/dbraw/zinc/46/20/46/502462046.db2.gz KZVSKJIPYUEOES-GHTZIAJQSA-N 2 0 372.557 3.297 20 0 FGADRP COc1cc(OC)cc(N2CCC[N@H+](CC[C@H]3CCCC[NH+]3C)CC2)c1 ZINC000472933636 502475256 /nfs/dbraw/zinc/47/52/56/502475256.db2.gz KISHVJLLSFPTIU-GOSISDBHSA-N 2 0 361.530 3.090 20 0 FGADRP COCCC[C@@H](C)[NH2+]Cc1cc(C(F)(F)F)ccc1N1CC[NH+](C)CC1 ZINC000483738378 502478967 /nfs/dbraw/zinc/47/89/67/502478967.db2.gz BUXPTQFXVJMTAG-OAHLLOKOSA-N 2 0 373.463 3.362 20 0 FGADRP CC1CC[NH+](C2CCC([NH2+]Cc3c(Br)cnn3C)CC2)CC1 ZINC000487571682 502482690 /nfs/dbraw/zinc/48/26/90/502482690.db2.gz JCBCPVQXTHWBGP-UHFFFAOYSA-N 2 0 369.351 3.315 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@H](C)[NH+](C)Cc2ccccc2)C[C@H]1C ZINC000483794643 502494871 /nfs/dbraw/zinc/49/48/71/502494871.db2.gz QIJLIVUNPLHZKK-HBFSDRIKSA-N 2 0 360.546 3.021 20 0 FGADRP Cc1cc(N2CC[N@@H+](C[C@@H](C)O)C[C@@H]2C)c2cc(OC(F)F)ccc2[nH+]1 ZINC000480191339 502496517 /nfs/dbraw/zinc/49/65/17/502496517.db2.gz OHFPYUPCYSNKRQ-UONOGXRCSA-N 2 0 365.424 3.036 20 0 FGADRP C[C@H](CNC(=O)N[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)C[NH+]1CCCCC1 ZINC000466242323 502514665 /nfs/dbraw/zinc/51/46/65/502514665.db2.gz URQNKFVPIZIUKM-SBHAEUEKSA-N 2 0 372.557 3.071 20 0 FGADRP C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000462639672 502517024 /nfs/dbraw/zinc/51/70/24/502517024.db2.gz IKAQVCHGWKJFQS-HSZRJFAPSA-N 2 0 363.505 3.144 20 0 FGADRP CCC[N@H+](CC)CCNC(=O)N1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000473170115 502534714 /nfs/dbraw/zinc/53/47/14/502534714.db2.gz DVXNZNDXAFBLDJ-RTBURBONSA-N 2 0 352.567 3.014 20 0 FGADRP C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]CCOCC(F)(F)C(F)F ZINC000469765930 502537404 /nfs/dbraw/zinc/53/74/04/502537404.db2.gz AETTYZOHUDQRBX-GDBMZVCRSA-N 2 0 362.411 3.404 20 0 FGADRP O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)[C@@]12CCC[C@@H]1C[NH+](Cc1ccccc1)C2 ZINC000466330475 502538934 /nfs/dbraw/zinc/53/89/34/502538934.db2.gz HFMZMZWIFUVRLA-CUDBPUKSSA-N 2 0 367.537 3.032 20 0 FGADRP OC[C@@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+][C@@H]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000466365953 502548918 /nfs/dbraw/zinc/54/89/18/502548918.db2.gz YVBNORHRROPQQU-IITNATTFSA-N 2 0 372.553 3.328 20 0 FGADRP CCC[C@H]([NH2+]C(C)C)C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000473299682 502562639 /nfs/dbraw/zinc/56/26/39/502562639.db2.gz HVHBXFZGHJNAKX-SFHVURJKSA-N 2 0 351.560 3.243 20 0 FGADRP [NH3+]CCCOC1CC[NH+](Cc2ccc(-n3cnc4ccccc43)cc2)CC1 ZINC000469853018 502568454 /nfs/dbraw/zinc/56/84/54/502568454.db2.gz RSPRIWYSVDCOHC-UHFFFAOYSA-N 2 0 364.493 3.355 20 0 FGADRP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CC[NH+](C3CCC3)C[C@H](C)C2)C1 ZINC000487965479 502582111 /nfs/dbraw/zinc/58/21/11/502582111.db2.gz TWJFUHGIZCYYSZ-ROUUACIJSA-N 2 0 364.578 3.013 20 0 FGADRP C[C@@H]([NH2+]C[C@]1(O)CCN(Cc2ccccc2)C1)c1ccc2c(c1)CCC2 ZINC000484155862 502588301 /nfs/dbraw/zinc/58/83/01/502588301.db2.gz FJOQMVDQMGAFJJ-WZONZLPQSA-N 2 0 350.506 3.463 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC000462823675 502588682 /nfs/dbraw/zinc/58/86/82/502588682.db2.gz WGUNHIGXGNYMNO-SYYKKAFVSA-N 2 0 369.553 3.278 20 0 FGADRP C[C@@H]([NH2+]CCC[NH+]1CCC(C)CC1)[C@H](c1ccccc1)N1CCOCC1 ZINC000480606218 502618006 /nfs/dbraw/zinc/61/80/06/502618006.db2.gz CRYBZIBTDXFGTA-IFMALSPDSA-N 2 0 359.558 3.160 20 0 FGADRP C[C@H]([NH2+]CCCC[N@@H+]1CCCC[C@@H]1C)c1cccc(NS(C)(=O)=O)c1 ZINC000480609545 502618768 /nfs/dbraw/zinc/61/87/68/502618768.db2.gz LPDNTNBEILAVCS-IRXDYDNUSA-N 2 0 367.559 3.363 20 0 FGADRP CC[NH+](CC)C[C@@H](C)NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000476928184 502624433 /nfs/dbraw/zinc/62/44/33/502624433.db2.gz GIQMEAUAIUBBGE-LBFURVHYSA-N 2 0 372.557 3.212 20 0 FGADRP CC[NH+]1CCC(CC[NH2+][C@@H](C)[C@H](c2ccccc2)N2CCOCC2)CC1 ZINC000480686379 502643098 /nfs/dbraw/zinc/64/30/98/502643098.db2.gz ONDRDHNNQBSRGS-SIKLNZKXSA-N 2 0 359.558 3.160 20 0 FGADRP Cc1ccc(C[C@@H]([NH2+]Cc2ccnc(N3CC[NH+](C)CC3)c2)C(C)C)cc1 ZINC000480698765 502645874 /nfs/dbraw/zinc/64/58/74/502645874.db2.gz OBEMJAGSCDEEPL-JOCHJYFZSA-N 2 0 366.553 3.499 20 0 FGADRP C[C@H](C[NH2+][C@@H](C)[C@@H](c1ccccc1)N1CCOCC1)C[NH+]1CCCCC1 ZINC000480705244 502648380 /nfs/dbraw/zinc/64/83/80/502648380.db2.gz QJKJDZVQIBDNOG-URVUXULASA-N 2 0 359.558 3.160 20 0 FGADRP CC[C@@H](C(=O)Nc1ccc(OCC[N@@H+]2CC[C@@H](C)C2)cc1)[NH+](CC)CC ZINC000470083512 502653690 /nfs/dbraw/zinc/65/36/90/502653690.db2.gz VYEPUWBBOWIIBD-XLIONFOSSA-N 2 0 361.530 3.466 20 0 FGADRP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+]2CC[C@H](CC(C)C)C2)CC1 ZINC000466723844 502654856 /nfs/dbraw/zinc/65/48/56/502654856.db2.gz ZFJZJIDPIVSCAP-HXUWFJFHSA-N 2 0 371.569 3.444 20 0 FGADRP CCC[N@H+](CC)C[C@H](C)NC(=O)N1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000463061813 502680250 /nfs/dbraw/zinc/68/02/50/502680250.db2.gz LHSKAEJWJPAAMV-ZCNNSNEGSA-N 2 0 366.594 3.403 20 0 FGADRP C[NH+](C)CCOc1ccccc1N1CC[NH+]([C@H]2C[C@H]2c2ccccc2)CC1 ZINC000463100541 502693862 /nfs/dbraw/zinc/69/38/62/502693862.db2.gz ZPIMSAHBZFCQDP-UNMCSNQZSA-N 2 0 365.521 3.305 20 0 FGADRP CC(C)(C[NH2+]Cc1c[nH]nc1-c1ccc2c(c1)OCO2)C[NH+]1CCCC1 ZINC000480914019 502703354 /nfs/dbraw/zinc/70/33/54/502703354.db2.gz YVPSAODBAJVPJF-UHFFFAOYSA-N 2 0 356.470 3.017 20 0 FGADRP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)NC[C@@H](C2CC2)[N@H+](C)Cc2ccccc2)C1 ZINC000477192575 502703580 /nfs/dbraw/zinc/70/35/80/502703580.db2.gz KJUGEVBFXZMGJP-HBMCJLEFSA-N 2 0 372.557 3.069 20 0 FGADRP CC[NH+](CC)CC1CC[NH+]([C@H](C)C(=O)N(C)Cc2ccccc2C)CC1 ZINC000488421484 502710667 /nfs/dbraw/zinc/71/06/67/502710667.db2.gz RRAQBUNSNQBRBA-LJQANCHMSA-N 2 0 359.558 3.396 20 0 FGADRP CC(C)[NH+](CCCNC(=O)c1ccc(Nc2cc[nH+]cc2)cc1)C(C)C ZINC000470238298 502713050 /nfs/dbraw/zinc/71/30/50/502713050.db2.gz FBHDKJNNVOVEKR-UHFFFAOYSA-N 2 0 354.498 3.486 20 0 FGADRP CC[NH+](CC)CCN(Cc1ccccc1)C(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000466922233 502727102 /nfs/dbraw/zinc/72/71/02/502727102.db2.gz VTROXXRYGZDGEI-GHTZIAJQSA-N 2 0 372.557 3.023 20 0 FGADRP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)NCc1ccc(CC[NH+](C)C)cc1 ZINC000466974693 502742855 /nfs/dbraw/zinc/74/28/55/502742855.db2.gz AKJQQRCVFVXVTL-IBGZPJMESA-N 2 0 374.573 3.245 20 0 FGADRP C[NH+](C)CC1CC[NH+]([C@H](C(=O)NCc2ccccc2)c2ccccc2)CC1 ZINC000481057606 502743096 /nfs/dbraw/zinc/74/30/96/502743096.db2.gz NGMCTDVUTUFKQV-QFIPXVFZSA-N 2 0 365.521 3.318 20 0 FGADRP CC[NH+](CC)CCN(Cc1ccccc1)C(=O)NC[C@H]1CCCC[N@@H+]1CC ZINC000477340484 502747786 /nfs/dbraw/zinc/74/77/86/502747786.db2.gz UENILOLAKATWOU-OAQYLSRUSA-N 2 0 374.573 3.414 20 0 FGADRP CC(C)[NH+](CCNC(=O)N[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(C)C ZINC000488555298 502749988 /nfs/dbraw/zinc/74/99/88/502749988.db2.gz GCMTZVHITZOZFC-PZJWPPBQSA-N 2 0 374.573 3.315 20 0 FGADRP CC(C)[C@H](CNC(=O)c1ccc2c(c1)C[NH2+]C2)[N@@H+]1CCc2ccccc2C1 ZINC000470364451 502750802 /nfs/dbraw/zinc/75/08/02/502750802.db2.gz LLFDPWKVEUWXEL-QFIPXVFZSA-N 2 0 363.505 3.103 20 0 FGADRP CC1CC[NH+](Cc2ccccc2CNC(=O)c2ccc3c(c2)C[NH2+]C3)CC1 ZINC000470377300 502754967 /nfs/dbraw/zinc/75/49/67/502754967.db2.gz YYQYWJUSVQYTNB-UHFFFAOYSA-N 2 0 363.505 3.452 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)NC1CC([NH+]2CCCCC2)C1)c1ccccc1 ZINC000473986830 502771612 /nfs/dbraw/zinc/77/16/12/502771612.db2.gz YYPOEWRQEXIVSK-CBNMVNINSA-N 2 0 372.557 3.386 20 0 FGADRP C[C@H]([NH2+][C@@H]1CCN(Cc2ccccc2)C[C@@H]1C)C(=O)N1CCC(C)CC1 ZINC000481176086 502773201 /nfs/dbraw/zinc/77/32/01/502773201.db2.gz WYJPSJHEXLWUCQ-IRFCIJBXSA-N 2 0 357.542 3.134 20 0 FGADRP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C[NH+]1CCC(C)CC1 ZINC000474102170 502809770 /nfs/dbraw/zinc/80/97/70/502809770.db2.gz CUDDVKQEQLCHLD-OAQYLSRUSA-N 2 0 357.542 3.089 20 0 FGADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1cnc(-c2ccccc2)s1 ZINC000513404079 502927922 /nfs/dbraw/zinc/92/79/22/502927922.db2.gz ANYZROUTDQZIDR-UHFFFAOYSA-N 2 0 374.554 3.156 20 0 FGADRP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3ccc(-c4ccccc4F)o3)C2)CC1 ZINC000513453852 502942554 /nfs/dbraw/zinc/94/25/54/502942554.db2.gz AZHDIGSQDTXXQA-KRWDZBQOSA-N 2 0 357.473 3.298 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)NCC[N@@H+]1CCC[C@@H](C)C1)c1ccsc1 ZINC000501163488 502951977 /nfs/dbraw/zinc/95/19/77/502951977.db2.gz MQBHUCXACLUQIA-SJLPKXTDSA-N 2 0 366.575 3.162 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)NCC[NH+]1CCC(C)CC1)c1ccsc1 ZINC000501162387 502952158 /nfs/dbraw/zinc/95/21/58/502952158.db2.gz JRFNOBNQKOXPDE-SFHVURJKSA-N 2 0 366.575 3.162 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)NCCC[NH+]1CCCCC1)c1ccsc1 ZINC000501162392 502952296 /nfs/dbraw/zinc/95/22/96/502952296.db2.gz JSZLHZDQJXQJEH-SFHVURJKSA-N 2 0 366.575 3.306 20 0 FGADRP CC[N@@H+]1CC[C@@H](N(C)CCC[NH+]2CCN(c3ccccc3)CC2)C[C@@H]1C ZINC000509664768 502961740 /nfs/dbraw/zinc/96/17/40/502961740.db2.gz IJWQSSICOSAUFO-RBBKRZOGSA-N 2 0 358.574 3.003 20 0 FGADRP c1ccc(N2CC[NH+](CCCN3CCC[C@H]([NH+]4CCCC4)CC3)CC2)cc1 ZINC000509694617 502969736 /nfs/dbraw/zinc/96/97/36/502969736.db2.gz DKVNSALNPODSJF-QHCPKHFHSA-N 2 0 370.585 3.149 20 0 FGADRP c1ccc(N2CC[NH+](CCCN3CC[C@H](C[NH+]4CCCCC4)C3)CC2)cc1 ZINC000509699673 502970646 /nfs/dbraw/zinc/97/06/46/502970646.db2.gz RTPGPSFVUQBMLY-JOCHJYFZSA-N 2 0 370.585 3.007 20 0 FGADRP C[NH+](C)[C@H](CNC(=O)NCC(C)(C)[NH+]1CCCCC1)C1CCCCC1 ZINC000501375521 502995779 /nfs/dbraw/zinc/99/57/79/502995779.db2.gz GBNMULDINAVEOR-GOSISDBHSA-N 2 0 352.567 3.061 20 0 FGADRP CC[NH+](CC)CCN(Cc1ccccc1)C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000489752207 503026012 /nfs/dbraw/zinc/02/60/12/503026012.db2.gz DSXOTSUOLJYMSU-NHCUHLMSSA-N 2 0 374.573 3.413 20 0 FGADRP FC(F)Oc1cccc(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)c1 ZINC000513819301 503029289 /nfs/dbraw/zinc/02/92/89/503029289.db2.gz UJFMINLYHSPZAI-UHFFFAOYSA-N 2 0 354.441 3.222 20 0 FGADRP CCC[C@H]([NH2+]C(C)C)C(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000497758634 503035238 /nfs/dbraw/zinc/03/52/38/503035238.db2.gz LHLGKHWIQVITOF-KRWDZBQOSA-N 2 0 355.592 3.021 20 0 FGADRP [NH3+]CC[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1ccc(Br)cc1F ZINC000489798379 503038425 /nfs/dbraw/zinc/03/84/25/503038425.db2.gz XDNNYONCCWHVCV-ZDUSSCGKSA-N 2 0 372.282 3.120 20 0 FGADRP C[N@H+](CCCNC(=O)NCCC[NH2+]C1CCCCC1)C1CCCCC1 ZINC000501577322 503043287 /nfs/dbraw/zinc/04/32/87/503043287.db2.gz AESILUMYVPAWCL-UHFFFAOYSA-N 2 0 352.567 3.253 20 0 FGADRP CC(C)[N@@H+]1CCCN(C(=O)N[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000489836883 503046022 /nfs/dbraw/zinc/04/60/22/503046022.db2.gz BOGAVVIJLKXASA-PZJWPPBQSA-N 2 0 372.557 3.023 20 0 FGADRP C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000501749822 503071912 /nfs/dbraw/zinc/07/19/12/503071912.db2.gz URNOSMNBTRRIEK-LJQANCHMSA-N 2 0 365.949 3.495 20 0 FGADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000514032289 503072243 /nfs/dbraw/zinc/07/22/43/503072243.db2.gz FEUVHASHBGHRRH-MOPGFXCFSA-N 2 0 372.557 3.202 20 0 FGADRP CCC[C@H]([NH2+]C(C)C)C(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1F ZINC000501763558 503074819 /nfs/dbraw/zinc/07/48/19/503074819.db2.gz FUVRTEDCOADHPR-SFHVURJKSA-N 2 0 355.473 3.022 20 0 FGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC[C@H]1C[C@@H](C)[NH+](Cc2ccccc2)C1 ZINC000510260146 503080453 /nfs/dbraw/zinc/08/04/53/503080453.db2.gz RRMPVNCOSCPJDJ-HLAWJBBLSA-N 2 0 357.542 3.278 20 0 FGADRP CCC1CCC([N@H+](C)CC(=O)Nc2ccc(CN3CCOCC3)cc2)CC1 ZINC000514086201 503083580 /nfs/dbraw/zinc/08/35/80/503083580.db2.gz ZQHASJCRCHKWLU-UHFFFAOYSA-N 2 0 373.541 3.358 20 0 FGADRP CCc1ccc([C@@H](CNC(=O)N[C@H](C)C[NH+]2CCCCC2)[NH+](C)C)cc1 ZINC000501811394 503084626 /nfs/dbraw/zinc/08/46/26/503084626.db2.gz XMVJWSFEJSMYCI-YLJYHZDGSA-N 2 0 360.546 3.025 20 0 FGADRP CCCC[NH+]1CCC(NC(=O)NCCCC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000514118725 503092854 /nfs/dbraw/zinc/09/28/54/503092854.db2.gz MQAHKXVJLXMRKS-GOSISDBHSA-N 2 0 352.567 3.205 20 0 FGADRP C[C@H]1CCCC[N@@H+]1CCCNC(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000501846879 503092860 /nfs/dbraw/zinc/09/28/60/503092860.db2.gz AZHPHKYHROTULX-FPOVZHCZSA-N 2 0 372.557 3.387 20 0 FGADRP CC[NH+]1CCN(c2ccccc2CN(C)C2CC[NH+](C(C)C)CC2)CC1 ZINC000506370299 503104467 /nfs/dbraw/zinc/10/44/67/503104467.db2.gz OIUOZMDQKVHQRK-UHFFFAOYSA-N 2 0 358.574 3.133 20 0 FGADRP CSC1(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)CC[NH+](C)CC1 ZINC000514636624 503154676 /nfs/dbraw/zinc/15/46/76/503154676.db2.gz AUUGJGLYCCPVNS-ICSRJNTNSA-N 3 0 361.599 3.314 20 0 FGADRP CCCC[N@H+](C)CCNC(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000506716536 503160360 /nfs/dbraw/zinc/16/03/60/503160360.db2.gz NBDBCRYVDSPTTK-UHFFFAOYSA-N 2 0 352.567 3.016 20 0 FGADRP CC[NH+](CC)CCCCNC(=O)c1ccc(N2CC[NH+](C(C)C)CC2)cc1 ZINC000498356987 503166321 /nfs/dbraw/zinc/16/63/21/503166321.db2.gz WJAQABVHRFEDQD-UHFFFAOYSA-N 2 0 374.573 3.069 20 0 FGADRP C[C@H](CCc1c(F)cccc1F)[NH2+]C1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000510696193 503174280 /nfs/dbraw/zinc/17/42/80/503174280.db2.gz QKUXRMXEDUHENC-UAOJZALGSA-N 2 0 352.469 3.253 20 0 FGADRP Cc1cc(OCCC[C@H](C)[NH2+]CC2CC[NH+](CCO)CC2)ccc1Cl ZINC000510721699 503178630 /nfs/dbraw/zinc/17/86/30/503178630.db2.gz ZKXFQUPJDHDSKI-KRWDZBQOSA-N 2 0 368.949 3.490 20 0 FGADRP C[NH2+]CCC1CC[NH+]([C@@H]2CCN(c3ccccc3C(F)(F)F)C2=O)CC1 ZINC000514726993 503178795 /nfs/dbraw/zinc/17/87/95/503178795.db2.gz LBADGGHHHISQNF-QGZVFWFLSA-N 2 0 369.431 3.132 20 0 FGADRP CC[NH+]1CCC(CCNC(=O)N[C@@H](C)[C@H](c2ccccc2C)[NH+](C)C)CC1 ZINC000498412661 503182186 /nfs/dbraw/zinc/18/21/86/503182186.db2.gz IDNNNQYDXBWFBH-GHTZIAJQSA-N 2 0 374.573 3.407 20 0 FGADRP CC[NH+](CC)Cc1cccc(C[NH2+]Cc2cnnn2Cc2ccccc2)c1 ZINC000490507862 503185752 /nfs/dbraw/zinc/18/57/52/503185752.db2.gz PKJJKQXKBINCJQ-UHFFFAOYSA-N 2 0 363.509 3.458 20 0 FGADRP CSC1(C[NH2+][C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)CC[NH+](C)CC1 ZINC000514761937 503186799 /nfs/dbraw/zinc/18/67/99/503186799.db2.gz PJEFMDVDVSXONX-QUCCMNQESA-N 3 0 361.599 3.314 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)c1ccccc1C[NH+](C)C)Cc1ccccc1 ZINC000498555918 503209842 /nfs/dbraw/zinc/20/98/42/503209842.db2.gz CGGYODDPAJPHKI-NRFANRHFSA-N 2 0 367.537 3.431 20 0 FGADRP C[C@H]1CCC[N@H+](CCNC(=O)N2CCC(CCC[NH+]3CCCC3)CC2)C1 ZINC000502633276 503242458 /nfs/dbraw/zinc/24/24/58/503242458.db2.gz XTCJWWPJNFZBRQ-IBGZPJMESA-N 2 0 364.578 3.016 20 0 FGADRP CC(C)[NH+](CCCNC(=O)N[C@H](C)[C@H](c1ccccc1)[NH+](C)C)C(C)C ZINC000498705304 503242917 /nfs/dbraw/zinc/24/29/17/503242917.db2.gz ORNLMUIWTUMJHC-UYAOXDASSA-N 2 0 362.562 3.486 20 0 FGADRP CC1CC[NH+](CCCCNC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000502784885 503271520 /nfs/dbraw/zinc/27/15/20/503271520.db2.gz PUKKVGDJSUMDNW-FQEVSTJZSA-N 2 0 360.546 3.101 20 0 FGADRP Clc1ccc(CCCC[NH+]2CCN([C@H]3CC[NH2+]C3)CC2)cc1Cl ZINC000491140403 503279263 /nfs/dbraw/zinc/27/92/63/503279263.db2.gz UBNAAIKQUMJKOX-INIZCTEOSA-N 2 0 356.341 3.296 20 0 FGADRP CC(C)CC[NH+]1CCC(CNC(=O)N2C[C@@H]([NH+]3CCCC3)C[C@H]2C)CC1 ZINC000498895144 503285436 /nfs/dbraw/zinc/28/54/36/503285436.db2.gz VXIBZEOUZXGOST-QUCCMNQESA-N 2 0 364.578 3.013 20 0 FGADRP CC(C)C[NH+]1CCC(NC(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000502865426 503292426 /nfs/dbraw/zinc/29/24/26/503292426.db2.gz YXIIVJPAHSWIOS-SFHVURJKSA-N 2 0 352.567 3.061 20 0 FGADRP C[C@H](NC(=O)NCC[N@H+](C)C1CCCCC1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000511290427 503293749 /nfs/dbraw/zinc/29/37/49/503293749.db2.gz FTSHDCWOKINMSC-ZWKOTPCHSA-N 2 0 364.578 3.203 20 0 FGADRP C[C@@H](NC(=O)NCC[N@H+](C)C1CCCCC1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000511290425 503293795 /nfs/dbraw/zinc/29/37/95/503293795.db2.gz FTSHDCWOKINMSC-QZTJIDSGSA-N 2 0 364.578 3.203 20 0 FGADRP CC(C)[C@@H]([NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1)c1ccc(F)cn1 ZINC000498936452 503297496 /nfs/dbraw/zinc/29/74/96/503297496.db2.gz HKGZFFYGBMUGLM-HXUWFJFHSA-N 2 0 362.537 3.458 20 0 FGADRP C[NH+](C)[C@@H](CNC(=O)NC[C@H](c1ccccc1)[NH+](C)C)c1cccc(F)c1 ZINC000515290856 503306780 /nfs/dbraw/zinc/30/67/80/503306780.db2.gz JIDIBMACLRHOOH-UXHICEINSA-N 2 0 372.488 3.031 20 0 FGADRP Cc1cc(C[NH3+])cc(NC(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC000515346915 503320746 /nfs/dbraw/zinc/32/07/46/503320746.db2.gz FWHZIVZQRJRBQS-BGYRXZFFSA-N 2 0 364.493 3.049 20 0 FGADRP CCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C[C@H]1C ZINC000499108877 503336486 /nfs/dbraw/zinc/33/64/86/503336486.db2.gz CRNINFCCNASHLI-HLAWJBBLSA-N 2 0 372.557 3.071 20 0 FGADRP CN1CCO[C@@H]([C@@H]([NH2+]C2CCC([NH+](C)C)CC2)c2ccc(Cl)cc2)C1 ZINC000515443456 503338577 /nfs/dbraw/zinc/33/85/77/503338577.db2.gz SWRPCLAVDDVSIM-TUNPWDSISA-N 2 0 365.949 3.174 20 0 FGADRP CCCC[N@H+](CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)C1CC1 ZINC000507660419 503341216 /nfs/dbraw/zinc/34/12/16/503341216.db2.gz ZTCZKMQEWJRBED-UHFFFAOYSA-N 2 0 361.555 3.438 20 0 FGADRP CC(C)[N@@H+]1CC[C@@H](C[NH2+][C@H](C)CC(=O)N(C)Cc2ccccc2Cl)C1 ZINC000515480696 503347150 /nfs/dbraw/zinc/34/71/50/503347150.db2.gz UFNANGDMONGKON-SJORKVTESA-N 2 0 365.949 3.397 20 0 FGADRP C[C@@H]1CCC[C@@H](C[NH2+]Cc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)C1 ZINC000507948902 503402549 /nfs/dbraw/zinc/40/25/49/503402549.db2.gz DYDRIHFUHCTMDD-DBXWQHBBSA-N 2 0 357.542 3.300 20 0 FGADRP C[NH+](C)Cc1ccc(CNC(=O)N2CC[NH+](CCC(C)(C)C)CC2)cc1 ZINC000515804477 503404784 /nfs/dbraw/zinc/40/47/84/503404784.db2.gz FZMFDWSBHBPGJW-UHFFFAOYSA-N 2 0 360.546 3.012 20 0 FGADRP CCC[N@@H+]1CCC[C@H]1CNC(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000511900516 503410758 /nfs/dbraw/zinc/41/07/58/503410758.db2.gz HIEUMXQNMGLNBW-FQEVSTJZSA-N 2 0 364.578 3.158 20 0 FGADRP C[NH+](C)CCN(CC[NH+](C)C)Cc1cc(Cl)cc(C(F)(F)F)c1 ZINC000515918677 503419584 /nfs/dbraw/zinc/41/95/84/503419584.db2.gz PTOCNVKAXFOJBM-UHFFFAOYSA-N 2 0 351.844 3.284 20 0 FGADRP C[C@H]1CC[N@H+](C)CCN1C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000493409879 503425793 /nfs/dbraw/zinc/42/57/93/503425793.db2.gz CPIDDQXQHALFBQ-SFHVURJKSA-N 2 0 358.530 3.273 20 0 FGADRP CC[C@H](C)[NH2+][C@@H](CNC(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1)c1ccco1 ZINC000493814729 503448013 /nfs/dbraw/zinc/44/80/13/503448013.db2.gz WKLWKRNHBPNDKU-KSZLIROESA-N 2 0 364.534 3.128 20 0 FGADRP C[C@@H]1CCC[C@](CNC(=O)N2CCC(C[NH+]3CCCC3)CC2)([NH+](C)C)C1 ZINC000516154192 503456817 /nfs/dbraw/zinc/45/68/17/503456817.db2.gz KHOOJMXYOFSDAJ-NQIIRXRSSA-N 2 0 364.578 3.014 20 0 FGADRP C[C@H]1CCC[C@](CNC(=O)NCc2cccc(C[NH+](C)C)c2)([NH+](C)C)C1 ZINC000516155376 503457014 /nfs/dbraw/zinc/45/70/14/503457014.db2.gz VTXIFMKZCYBJCA-UWJYYQICSA-N 2 0 360.546 3.058 20 0 FGADRP C[C@@H]1CCC[C@](CNC(=O)NC[C@@H](c2cccs2)[NH+](C)C)([NH+](C)C)C1 ZINC000516154095 503457117 /nfs/dbraw/zinc/45/71/17/503457117.db2.gz WMEGGMUGZPZLAS-GJYPPUQNSA-N 2 0 366.575 3.161 20 0 FGADRP CC(C)CN(CC[NH+](C)C)C(=O)N[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000516163555 503460085 /nfs/dbraw/zinc/46/00/85/503460085.db2.gz HFINYXIQPIBQCT-UYAOXDASSA-N 2 0 360.546 3.051 20 0 FGADRP COc1ccc([C@H](CNC(=O)[C@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)[NH+]2CCCC2)cc1 ZINC000508375585 503485168 /nfs/dbraw/zinc/48/51/68/503485168.db2.gz GESADYADKYQMTJ-NYUBLWNDSA-N 2 0 373.541 3.210 20 0 FGADRP CC[NH+](CC)CCCC1CC[NH+](Cc2ccc3c(c2)NC(=O)CO3)CC1 ZINC000512364570 503529247 /nfs/dbraw/zinc/52/92/47/503529247.db2.gz INOKBXGKKAVUKM-UHFFFAOYSA-N 2 0 359.514 3.352 20 0 FGADRP Cc1ccc(-c2n[nH]cc2C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)cc1 ZINC000512420192 503544633 /nfs/dbraw/zinc/54/46/33/503544633.db2.gz IFBOUGGKGGTEGK-UHFFFAOYSA-N 2 0 368.525 3.319 20 0 FGADRP COc1ccc2c(c1)OC[C@H]([NH2+][C@H](C)[C@H]1CC[N@H+](Cc3ccccc3)C1)C2 ZINC000508718621 503550148 /nfs/dbraw/zinc/55/01/48/503550148.db2.gz OAYQZDJIDHIINS-JRGCBEDISA-N 2 0 366.505 3.499 20 0 FGADRP C[C@@H]1C[C@H](CCNC(=O)N2CCC[C@@H]([NH+](C)C)C2)C[N@@H+]1Cc1ccccc1 ZINC000512435493 503550578 /nfs/dbraw/zinc/55/05/78/503550578.db2.gz JDIYFCBDRDINRS-HLAWJBBLSA-N 2 0 372.557 3.023 20 0 FGADRP C[C@H]([NH2+]CCn1c2ccccc2[nH]c1=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508722319 503551256 /nfs/dbraw/zinc/55/12/56/503551256.db2.gz XFLSUEJANDTLHU-PKOBYXMFSA-N 2 0 364.493 3.242 20 0 FGADRP O=C(NCC1([NH+]2CCCCC2)CCCCC1)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000504316334 503554895 /nfs/dbraw/zinc/55/48/95/503554895.db2.gz HBDCGFOAPTXOAG-OALUTQOASA-N 2 0 362.562 3.101 20 0 FGADRP CC(C)[NH+](CCN(C)C(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C)C(C)C ZINC000504393880 503566853 /nfs/dbraw/zinc/56/68/53/503566853.db2.gz AUSCLJAUMTUNPS-IBGZPJMESA-N 2 0 366.525 3.189 20 0 FGADRP CC(C)[NH+](CCN(C)C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1)C(C)C ZINC000504427635 503573261 /nfs/dbraw/zinc/57/32/61/503573261.db2.gz SGZYIRRLOFIXKV-LJQANCHMSA-N 2 0 352.567 3.011 20 0 FGADRP C[C@@H](NC(=O)N1CCC([NH+]2CCCCC2)CC1)[C@@H](c1ccccc1)[NH+](C)C ZINC000508848860 503576173 /nfs/dbraw/zinc/57/61/73/503576173.db2.gz AYZDHKHDCJNHET-NQIIRXRSSA-N 2 0 372.557 3.338 20 0 FGADRP C[C@@H](NC(=O)NCCC[NH2+]C1CCCCC1)[C@H](c1ccccc1)[NH+](C)C ZINC000508851448 503577225 /nfs/dbraw/zinc/57/72/25/503577225.db2.gz HHODYFOYFUMZDW-YLJYHZDGSA-N 2 0 360.546 3.289 20 0 FGADRP Cc1ccccc1[C@H]([C@H](C)NC(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1)[NH+](C)C ZINC000508895911 503591845 /nfs/dbraw/zinc/59/18/45/503591845.db2.gz MAZKXRWLLDXFJE-JPLJXNOCSA-N 2 0 360.546 3.110 20 0 FGADRP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)CC[C@H]2CCC[NH2+]2)C1 ZINC000494686940 503592253 /nfs/dbraw/zinc/59/22/53/503592253.db2.gz PNAMOMLCUWUAAD-DBXWQHBBSA-N 2 0 357.542 3.313 20 0 FGADRP C[NH+](C)CCOc1cccc(NC(=O)c2ccc(C[NH+]3CCCC3)cc2)c1 ZINC000500272206 503593482 /nfs/dbraw/zinc/59/34/82/503593482.db2.gz FKNZFAUPCOAEBN-UHFFFAOYSA-N 2 0 367.493 3.475 20 0 FGADRP CC[NH+](CC)[C@@H]1CCN(C(=O)N[C@H](C)[C@@H](c2ccccc2C)[NH+](C)C)C1 ZINC000508896489 503593524 /nfs/dbraw/zinc/59/35/24/503593524.db2.gz MXHJLNZTQSYYCW-GGPKGHCWSA-N 2 0 360.546 3.112 20 0 FGADRP Cc1ccccc1[C@H]([C@H](C)NC(=O)N1CCC[C@@H]1C[NH+]1CCCC1)[NH+](C)C ZINC000508899187 503594209 /nfs/dbraw/zinc/59/42/09/503594209.db2.gz OAMCJBNROYZAHY-ZVDOUQERSA-N 2 0 372.557 3.256 20 0 FGADRP CC[NH+](CC)Cc1ccc(CNC(=O)N2CCC[C@H]2C[NH+]2CCCC2)cc1 ZINC000517101071 503668689 /nfs/dbraw/zinc/66/86/89/503668689.db2.gz NEELLSCAWVXLOF-NRFANRHFSA-N 2 0 372.557 3.298 20 0 FGADRP C[C@@H]([NH2+][C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)c1cc2ccccc2s1 ZINC000517230057 503686299 /nfs/dbraw/zinc/68/62/99/503686299.db2.gz TWASBPCMMFJOOK-AUJRIZCKSA-N 2 0 357.523 3.199 20 0 FGADRP C[C@@H]1C[NH+](CCC2CC[NH+](Cc3ccc4[nH]cnc4c3)CC2)C[C@@H](C)O1 ZINC000536710322 503691993 /nfs/dbraw/zinc/69/19/93/503691993.db2.gz QOWBLMZKAAUMTL-IAGOWNOFSA-N 2 0 356.514 3.274 20 0 FGADRP C[C@@H]1CCCC[C@@H]1C[NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000543245291 503695925 /nfs/dbraw/zinc/69/59/25/503695925.db2.gz BTPGQAYTADNRRC-DUXKGJEZSA-N 2 0 357.542 3.300 20 0 FGADRP CC[C@@H]1CCC[N@@H+]1CC(=O)NC[C@H](c1ccc(OC)cc1)[NH+]1CCCCC1 ZINC000533287211 503792187 /nfs/dbraw/zinc/79/21/87/503792187.db2.gz WVPKABYWGXWRTP-TZIWHRDSSA-N 2 0 373.541 3.213 20 0 FGADRP O=C(NC[C@@H]1CC[N@@H+]1C1CCCC1)[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000530024179 503798091 /nfs/dbraw/zinc/79/80/91/503798091.db2.gz KVFRDBBOIYTCLD-CTNGQTDRSA-N 2 0 355.526 3.032 20 0 FGADRP C[NH+](C)Cc1c2ccccc2oc1C(=O)NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000530028359 503801757 /nfs/dbraw/zinc/80/17/57/503801757.db2.gz KUFVYXITIGIBJZ-INIZCTEOSA-N 2 0 355.482 3.241 20 0 FGADRP Cc1cc(C[NH2+]CC2(O)CC[NH+](C(C)C)CC2)ccc1Br ZINC000540610434 503833925 /nfs/dbraw/zinc/83/39/25/503833925.db2.gz HNPOKNVAPMWMHH-UHFFFAOYSA-N 2 0 355.320 3.082 20 0 FGADRP C[C@H]1CCCC[N@@H+]1CCN[C@@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21 ZINC000537173996 503827129 /nfs/dbraw/zinc/82/71/29/503827129.db2.gz SGRTZWWXKDMPRG-AZUAARDMSA-N 2 0 357.542 3.439 20 0 FGADRP CCOc1ccccc1NC(=O)CC[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000533408337 503834256 /nfs/dbraw/zinc/83/42/56/503834256.db2.gz YXXMVGJKIAXXDQ-UHFFFAOYSA-N 2 0 361.530 3.466 20 0 FGADRP C[C@@H](CCO)C1(C[NH2+]Cc2ccccc2N(C)C2CC[NH+](C)CC2)CCC1 ZINC000540644547 503843526 /nfs/dbraw/zinc/84/35/26/503843526.db2.gz NBDGBNILUJQQQS-IBGZPJMESA-N 2 0 373.585 3.495 20 0 FGADRP C[C@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+][C@@H](Cc1ccccc1)C(N)=O ZINC000543659271 503843842 /nfs/dbraw/zinc/84/38/42/503843842.db2.gz ZKSRRRQYIQXATD-AVRDEDQJSA-N 2 0 365.521 3.247 20 0 FGADRP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)NCC(C)(C)[NH+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000517887974 503858529 /nfs/dbraw/zinc/85/85/29/503858529.db2.gz MUTYBTUTBOIHLO-OTWHNJEPSA-N 2 0 366.594 3.163 20 0 FGADRP CC[NH+](CC)CCN(CC(C)C)C(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000517913427 503865307 /nfs/dbraw/zinc/86/53/07/503865307.db2.gz JSKRDQWWHFAPLG-LJQANCHMSA-N 2 0 354.583 3.116 20 0 FGADRP CC1(C)[C@H]([NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)[C@H]2CCCO[C@@H]21 ZINC000537294103 503871115 /nfs/dbraw/zinc/87/11/15/503871115.db2.gz UIOZRTHQOGCBHI-NJYVYQBISA-N 2 0 358.526 3.454 20 0 FGADRP CC(C)C[C@H]([NH2+][C@@H]1CCc2ccc(Cl)cc21)C(=O)NCC[NH+](C)C ZINC000540746999 503877138 /nfs/dbraw/zinc/87/71/38/503877138.db2.gz BFOUPEWCSYIXHK-MSOLQXFVSA-N 2 0 351.922 3.009 20 0 FGADRP O=C1c2ccccc2C(=O)N1[C@@H]1CCCC[C@@H]([NH2+]CCC[NH+]2CCCC2)C1 ZINC000533548878 503885642 /nfs/dbraw/zinc/88/56/42/503885642.db2.gz ASUKOLNPHRSTDS-QZTJIDSGSA-N 2 0 369.509 3.059 20 0 FGADRP CC(C)(C)c1ccccc1NC(=O)CN1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530238497 503888001 /nfs/dbraw/zinc/88/80/01/503888001.db2.gz OFILIJAYDRXROK-SFHVURJKSA-N 2 0 373.541 3.013 20 0 FGADRP Fc1cccc(-c2cnc(C[NH+]3CCC(CO[C@H]4CC[NH2+]C4)CC3)o2)c1 ZINC000530242303 503891277 /nfs/dbraw/zinc/89/12/77/503891277.db2.gz SJKXUDDSVYSHHU-SFHVURJKSA-N 2 0 359.445 3.071 20 0 FGADRP FC(F)(F)Oc1ccccc1C[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530249644 503894292 /nfs/dbraw/zinc/89/42/92/503894292.db2.gz XDTVASMHQMDQFV-INIZCTEOSA-N 2 0 358.404 3.176 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)CCN(C)c1cc[nH+]cc1)c1ccsc1 ZINC000540928767 503942007 /nfs/dbraw/zinc/94/20/07/503942007.db2.gz WZPYSASXMPCMPQ-GOSISDBHSA-N 2 0 360.527 3.169 20 0 FGADRP CC[N@H+](Cc1ccc(C(=O)N2CCC3(CCC[NH+]3C)CC2)cc1)C1CC1 ZINC000546973301 503942681 /nfs/dbraw/zinc/94/26/81/503942681.db2.gz LKTPWXXYTKHQKI-UHFFFAOYSA-N 2 0 355.526 3.371 20 0 FGADRP C[C@H](CNC(=O)NC[C@H]1CCC[N@@H+]1CC1CCCCC1)C[NH+]1CCCC1 ZINC000518296867 503946967 /nfs/dbraw/zinc/94/69/67/503946967.db2.gz CNKJQPRGPINILT-UYAOXDASSA-N 2 0 364.578 3.062 20 0 FGADRP C[C@H]1C[C@H]([NH2+]CC(C)(C)C(=O)N2CCCC2)CCN1Cc1ccccc1 ZINC000527810685 503955369 /nfs/dbraw/zinc/95/53/69/503955369.db2.gz HLSKWDCUBNICTJ-AZUAARDMSA-N 2 0 357.542 3.278 20 0 FGADRP CC(C)[C@@H]1CN(C(=O)N[C@H]2CC[NH+](C)[C@@H](C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000527812240 503956164 /nfs/dbraw/zinc/95/61/64/503956164.db2.gz VVDOVYWGOOFTCH-JBACZVJFSA-N 2 0 372.557 3.021 20 0 FGADRP CC(C)[N@H+](C)CC1CCN(C(=O)NC[C@@]2([NH+](C)C)CCC[C@H](C)C2)CC1 ZINC000518360769 503962016 /nfs/dbraw/zinc/96/20/16/503962016.db2.gz FWKIAMCHOTUKFC-GHTZIAJQSA-N 2 0 366.594 3.259 20 0 FGADRP C[C@@H]1CCC[C@](CNC(=O)N2CCC([NH+]3CCCCC3)CC2)([NH+](C)C)C1 ZINC000518367679 503964737 /nfs/dbraw/zinc/96/47/37/503964737.db2.gz WYLDQQDLNUEVAJ-NQIIRXRSSA-N 2 0 364.578 3.157 20 0 FGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@H]2CCc3cc(F)c(Cl)cc32)CC1 ZINC000527859319 503975854 /nfs/dbraw/zinc/97/58/54/503975854.db2.gz PSKKNMKAPSDKKA-LIRRHRJNSA-N 2 0 353.913 3.330 20 0 FGADRP CC[NH+](CC)CCCC1CC[NH+](CC(=O)N(C)Cc2ccccc2)CC1 ZINC000541085067 504001133 /nfs/dbraw/zinc/00/11/33/504001133.db2.gz WIMWFWCVVCDKOF-UHFFFAOYSA-N 2 0 359.558 3.479 20 0 FGADRP CC(C)[NH+]1CCC(NC(=O)NC[C@H](c2ccc(Cl)cc2)[NH+](C)C)CC1 ZINC000530599809 504022274 /nfs/dbraw/zinc/02/22/74/504022274.db2.gz GTENEJMJGLOOTI-GOSISDBHSA-N 2 0 366.937 3.115 20 0 FGADRP C[C@@H](CCc1n[nH]c2ccccc21)[NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000541155299 504024352 /nfs/dbraw/zinc/02/43/52/504024352.db2.gz BGWNVNKYAXURGG-OKZBNKHCSA-N 2 0 358.530 3.363 20 0 FGADRP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]C[C@@H](O)C2CCCCC2)CC1 ZINC000537748105 504026544 /nfs/dbraw/zinc/02/65/44/504026544.db2.gz FQWKPUNGBIRKAI-HXUWFJFHSA-N 2 0 365.949 3.123 20 0 FGADRP C[C@@H]1C[N@@H+](Cc2ccc(C[NH2+][C@@H]3[C@@H]4CCO[C@H]4C34CCC4)cc2)C[C@H](C)O1 ZINC000534063954 504030454 /nfs/dbraw/zinc/03/04/54/504030454.db2.gz XMQFXLVLQYMZJE-LJQVGOIWSA-N 2 0 370.537 3.343 20 0 FGADRP C[NH+](C)[C@H](CNC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1)C1CCCCC1 ZINC000518628581 504032134 /nfs/dbraw/zinc/03/21/34/504032134.db2.gz DAWAWOVPRFQWQW-VQTJNVASSA-N 2 0 364.578 3.157 20 0 FGADRP CCc1ccc(-c2ccc(C(=O)N(CC[NH+](C)C)CC[NH+](C)C)o2)cc1 ZINC000530641780 504036418 /nfs/dbraw/zinc/03/64/18/504036418.db2.gz KWVYVNSQIQLRPL-UHFFFAOYSA-N 2 0 357.498 3.074 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)CC(=O)N[C@H](c2ccc(OC)cc2)C2CC2)C[C@H]1C ZINC000530662415 504043766 /nfs/dbraw/zinc/04/37/66/504043766.db2.gz ZYHKVRVNGGRIFT-WVBUVRCRSA-N 2 0 373.541 3.067 20 0 FGADRP c1ccc([C@@H]([NH2+]CCCC[NH+]2CCN(c3ncccn3)CC2)C2CC2)cc1 ZINC000538101325 504133035 /nfs/dbraw/zinc/13/30/35/504133035.db2.gz VHQNHYDEVKCGCC-OAQYLSRUSA-N 2 0 365.525 3.120 20 0 FGADRP CC[NH+](CC)C[C@@H](C)NC(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000519082124 504134603 /nfs/dbraw/zinc/13/46/03/504134603.db2.gz NAXGXHXARSUUCQ-GOSISDBHSA-N 2 0 352.567 3.205 20 0 FGADRP C[NH+](C)Cc1cccc(C(=O)NC[C@@H](c2ccc(Cl)cc2)[NH+](C)C)c1 ZINC000531067604 504176933 /nfs/dbraw/zinc/17/69/33/504176933.db2.gz AVVHOOAEWUDKNY-IBGZPJMESA-N 2 0 359.901 3.434 20 0 FGADRP COCCOCCCC[NH2+][C@@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21 ZINC000538260764 504180490 /nfs/dbraw/zinc/18/04/90/504180490.db2.gz HULYLFDOKHIZGU-LJQANCHMSA-N 2 0 362.514 3.007 20 0 FGADRP CN1CC[NH+](CC2(C)CC[NH+](Cc3ccc4c(c3)CC(C)(C)O4)CC2)CC1 ZINC000544595496 504185422 /nfs/dbraw/zinc/18/54/22/504185422.db2.gz YMSNXCLFNKXRHJ-UHFFFAOYSA-N 2 0 371.569 3.250 20 0 FGADRP C[NH+](C)[C@H](CNC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1)c1ccsc1 ZINC000534612990 504192022 /nfs/dbraw/zinc/19/20/22/504192022.db2.gz WCSXXSJYADMOPW-GUDVDZBRSA-N 2 0 372.538 3.095 20 0 FGADRP CO[C@@H](C[NH+]1CCC(OCC[NH+]2CCCC2)CC1)c1ccc(F)cc1 ZINC000528397209 504206429 /nfs/dbraw/zinc/20/64/29/504206429.db2.gz SKKWJBCVGAHAIL-FQEVSTJZSA-N 2 0 350.478 3.090 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)NCC2=CC[NH+](C)CC2)cc1 ZINC000538337079 504213153 /nfs/dbraw/zinc/21/31/53/504213153.db2.gz HOSUMZIDDDCQGE-GOSISDBHSA-N 2 0 370.541 3.122 20 0 FGADRP Cc1ccc(CN(CC[NH+](C)C)C(=O)c2ccc(C[NH+]3CCCC3)cc2)o1 ZINC000547757902 504213548 /nfs/dbraw/zinc/21/35/48/504213548.db2.gz ZWOGEVGHPDIQHX-UHFFFAOYSA-N 2 0 369.509 3.388 20 0 FGADRP Cc1ccc(C[NH+]2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)c(-c2cnn(C)c2)c1 ZINC000519528675 504240777 /nfs/dbraw/zinc/24/07/77/504240777.db2.gz DNPRJLAYYSJRJA-VXKWHMMOSA-N 2 0 368.525 3.114 20 0 FGADRP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)NCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000541780927 504252097 /nfs/dbraw/zinc/25/20/97/504252097.db2.gz ISOCRTWTNOYNTK-KSZLIROESA-N 2 0 366.594 3.115 20 0 FGADRP O=C([C@H]1CCCC[N@@H+]1Cc1ccccc1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000531292715 504254303 /nfs/dbraw/zinc/25/43/03/504254303.db2.gz DIWOOGMLVGKFQF-NHCUHLMSSA-N 2 0 355.526 3.128 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1sccc1C[NH+](C)C ZINC000519602050 504269519 /nfs/dbraw/zinc/26/95/19/504269519.db2.gz JMZHRUBHAUJWGN-APWZRJJASA-N 2 0 371.550 3.450 20 0 FGADRP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(-n2cncn2)c(F)c1 ZINC000531430211 504304035 /nfs/dbraw/zinc/30/40/35/504304035.db2.gz BZBUKKRKFDPCHR-IEBWSBKVSA-N 2 0 359.493 3.397 20 0 FGADRP C[NH+](C)Cc1ccc(CNC(=O)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1F ZINC000519776393 504334720 /nfs/dbraw/zinc/33/47/20/504334720.db2.gz NGVLDGOOVRGVGP-HXUWFJFHSA-N 2 0 369.484 3.026 20 0 FGADRP O=C(Nc1ccc2c(c1)OCC[NH2+]C2)NC1CC[NH+](C2CCCCC2)CC1 ZINC000528712867 504344904 /nfs/dbraw/zinc/34/49/04/504344904.db2.gz KHBZAKKQBNYJCX-UHFFFAOYSA-N 2 0 372.513 3.087 20 0 FGADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2c(C)nn(C(C)(C)C)c2C)C1 ZINC000538749763 504356847 /nfs/dbraw/zinc/35/68/47/504356847.db2.gz DZPIECCMMWHAKV-SFHVURJKSA-N 2 0 350.551 3.188 20 0 FGADRP CCC[NH+]1CCN(c2ccccc2C[N@@H+]2CCC3(C2)CCOCC3)CC1 ZINC000538763410 504362948 /nfs/dbraw/zinc/36/29/48/504362948.db2.gz BZGCLNBYUJNULD-UHFFFAOYSA-N 2 0 357.542 3.221 20 0 FGADRP C[N@@H+]1CC[C@@](O)(CNCc2ccc(-c3cccc(Cl)c3Cl)o2)C1 ZINC000545151632 504377346 /nfs/dbraw/zinc/37/73/46/504377346.db2.gz RNOCLKUBCOJPBJ-QGZVFWFLSA-N 2 0 355.265 3.410 20 0 FGADRP C[C@@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000531683354 504392187 /nfs/dbraw/zinc/39/21/87/504392187.db2.gz IEXJHPZHVHBVPH-KBPBESRZSA-N 2 0 369.431 3.496 20 0 FGADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)N1CCC[NH+](C(C)(C)C)CC1 ZINC000545204701 504395289 /nfs/dbraw/zinc/39/52/89/504395289.db2.gz DQWCMVONBHMIGE-AZUAARDMSA-N 2 0 372.557 3.023 20 0 FGADRP CC[C@@H](C(=O)NC[C@@H]1CCCCN1Cc1cccc(Cl)c1)[NH+](C)C ZINC000531709079 504399556 /nfs/dbraw/zinc/39/95/56/504399556.db2.gz DYDIOEPCKZQGPK-ROUUACIJSA-N 2 0 351.922 3.151 20 0 FGADRP C[NH+]1CCN(C[C@H]([NH2+][C@@H]2CCC[C@@H]([C@H]3CCOC3)C2)c2ccccc2)CC1 ZINC000545274749 504426337 /nfs/dbraw/zinc/42/63/37/504426337.db2.gz MFDRWLMVRWKOTC-ACESQOTJSA-N 2 0 371.569 3.160 20 0 FGADRP CCN1CC[NH+](CCCC[NH2+][C@@H](c2ccc3[nH]c(=O)oc3c2)C(C)C)CC1 ZINC000539162383 504491055 /nfs/dbraw/zinc/49/10/55/504491055.db2.gz ZLCZBZDAJSTPFZ-HXUWFJFHSA-N 2 0 374.529 3.238 20 0 FGADRP COCCC[NH+]1CCC([NH2+][C@@H](c2ccc3[nH]c(=O)oc3c2)C(C)C)CC1 ZINC000539200950 504496870 /nfs/dbraw/zinc/49/68/70/504496870.db2.gz HXONBXIEHILQFC-LJQANCHMSA-N 2 0 361.486 3.321 20 0 FGADRP C[C@@H]1CCCCN1C(=O)C[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000535681156 504506194 /nfs/dbraw/zinc/50/61/94/504506194.db2.gz OTOQVJMEMTVKIQ-HXUWFJFHSA-N 2 0 369.553 3.376 20 0 FGADRP C[NH+](C)C1(CNC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)CCCC1 ZINC000542514641 504521416 /nfs/dbraw/zinc/52/14/16/504521416.db2.gz LFHNKMIWRSAGBR-UHFFFAOYSA-N 2 0 357.542 3.279 20 0 FGADRP C[C@H]([NH2+]CCc1ccc(OCC[NH+]2C[C@@H](C)[C@H](C)C2)cc1)c1cnccn1 ZINC000539299135 504523135 /nfs/dbraw/zinc/52/31/35/504523135.db2.gz WDKZZTJQGYKIHJ-QRVBRYPASA-N 2 0 368.525 3.337 20 0 FGADRP CC(C)(C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[C@@H]([NH3+])c1ccccc1 ZINC000520572710 504531764 /nfs/dbraw/zinc/53/17/64/504531764.db2.gz ISJBRIUUVPWRPN-NRFANRHFSA-N 2 0 365.521 3.493 20 0 FGADRP CC[NH+](CC)CCOc1ccc(C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)cc1 ZINC000520775191 504579890 /nfs/dbraw/zinc/57/98/90/504579890.db2.gz NJYVHEFWQBMLEP-HXUWFJFHSA-N 2 0 373.541 3.108 20 0 FGADRP Cc1ccc([C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)[NH+](C)C)cc1 ZINC000520854017 504597956 /nfs/dbraw/zinc/59/79/56/504597956.db2.gz TYDJUYDFHPIALB-FCHUYYIVSA-N 2 0 365.521 3.379 20 0 FGADRP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)NC[C@@H]1CCC[NH+](C(C)C)C1 ZINC000520908841 504607830 /nfs/dbraw/zinc/60/78/30/504607830.db2.gz FAXNRZKVBRBGTH-OALUTQOASA-N 2 0 352.567 3.061 20 0 FGADRP CC[NH+](CC)Cc1cccc(CNC(=O)CCN(C)c2cc[nH+]cc2)c1 ZINC000542784580 504608962 /nfs/dbraw/zinc/60/89/62/504608962.db2.gz DYSLGBHJSRNGSY-UHFFFAOYSA-N 2 0 354.498 3.066 20 0 FGADRP CC1CC[NH+](Cc2ccccc2CNC(=O)N[C@H]2CC[NH2+]C23CCC3)CC1 ZINC000529320861 504634388 /nfs/dbraw/zinc/63/43/88/504634388.db2.gz GGXMTECSVPSHMX-FQEVSTJZSA-N 2 0 370.541 3.002 20 0 FGADRP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@@H]1CCC[NH+]1Cc1ccccc1 ZINC000521139642 504659115 /nfs/dbraw/zinc/65/91/15/504659115.db2.gz HZTXNLUZSXPVQV-JTJHWIPRSA-N 2 0 357.542 3.134 20 0 FGADRP CCN(CC)[C@H](C[NH2+][C@@H](C)CC(=O)NC)c1ccc(C(F)(F)F)cc1 ZINC000532462986 504659850 /nfs/dbraw/zinc/65/98/50/504659850.db2.gz QZTWEUIPRXIHBH-XJKSGUPXSA-N 2 0 359.436 3.203 20 0 FGADRP CCC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N1CC[C@]2(CC[NH+](C)C2)C1 ZINC000529419596 504667153 /nfs/dbraw/zinc/66/71/53/504667153.db2.gz QFSGSDHHPFQVDW-XPNTWCBSSA-N 2 0 369.553 3.089 20 0 FGADRP CCC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000529458656 504683601 /nfs/dbraw/zinc/68/36/01/504683601.db2.gz PLKMVXOVUYEUMN-SPVGOVNVSA-N 2 0 369.553 3.276 20 0 FGADRP CC[N@@H+]1CC[C@@H](N(C)Cc2cnc3ccc(Br)cn23)C[C@H]1C ZINC000539816981 504698907 /nfs/dbraw/zinc/69/89/07/504698907.db2.gz IBOQZNROIUMYQS-UKRRQHHQSA-N 2 0 365.319 3.401 20 0 FGADRP C[C@@H]1C[NH+](CCC2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)C[C@@H](C)O1 ZINC000539861646 504720816 /nfs/dbraw/zinc/72/08/16/504720816.db2.gz XEBMDPINOVPBAZ-QZTJIDSGSA-N 2 0 358.526 3.333 20 0 FGADRP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]C[C@@]2(C)CCCC[C@@H]2O)CC1 ZINC000536402607 504723994 /nfs/dbraw/zinc/72/39/94/504723994.db2.gz HCMJOLKOOGLJSK-VQTJNVASSA-N 2 0 365.949 3.123 20 0 FGADRP CC(C)C[C@@H](CNCc1c(Cl)cccc1N1CC[NH+](C)CC1)[NH+](C)C ZINC000539951692 504746797 /nfs/dbraw/zinc/74/67/97/504746797.db2.gz WRFKIVRIAZVBEH-KRWDZBQOSA-N 2 0 366.981 3.158 20 0 FGADRP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000521589366 504761279 /nfs/dbraw/zinc/76/12/79/504761279.db2.gz YUVXGPCPCCZGIB-OALUTQOASA-N 2 0 357.542 3.007 20 0 FGADRP Cc1ccc(C(=O)Nc2c[nH+]ccc2N2CCN(C)CC2)c(F)c1Cl ZINC000562298095 504776232 /nfs/dbraw/zinc/77/62/32/504776232.db2.gz LLTFIXDBXGFKNT-UHFFFAOYSA-N 2 0 362.836 3.187 20 0 FGADRP Cc1cc(C)n(-c2ccc(C[NH+]3CCC([C@@H]4OCCC[C@H]4[NH3+])CC3)cc2)n1 ZINC000565044275 504779908 /nfs/dbraw/zinc/77/99/08/504779908.db2.gz QZROLYSUTHAGRG-YADHBBJMSA-N 2 0 368.525 3.207 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCc2cc(C(F)(F)F)ccn2)[C@@H](C)C1 ZINC000556234071 504824883 /nfs/dbraw/zinc/82/48/83/504824883.db2.gz ULBDCTFLYCSEFW-YJBOKZPZSA-N 2 0 373.463 3.370 20 0 FGADRP CC(C)[NH+]1CCN(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)CC1 ZINC000549584817 504854062 /nfs/dbraw/zinc/85/40/62/504854062.db2.gz SEAFLJWRTKWLLA-HXUWFJFHSA-N 2 0 372.557 3.023 20 0 FGADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H](CO)c1ccc(C(F)(F)F)cc1 ZINC000565357570 504863810 /nfs/dbraw/zinc/86/38/10/504863810.db2.gz VIVWHPUUTXYRGV-SJCJKPOMSA-N 2 0 353.388 3.252 20 0 FGADRP C[C@@H]1C[C@@H](CCNC(=O)C2CC[NH+](C3CC3)CC2)C[N@@H+]1Cc1ccccc1 ZINC000549646679 504867030 /nfs/dbraw/zinc/86/70/30/504867030.db2.gz IKVYHMFMLKXURH-UYAOXDASSA-N 2 0 369.553 3.278 20 0 FGADRP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000553326423 504884326 /nfs/dbraw/zinc/88/43/26/504884326.db2.gz DHGNYUBCWPDWTC-PZJWPPBQSA-N 2 0 357.542 3.279 20 0 FGADRP CC[NH+](CC)Cc1cccc(CNC(=O)N2C[C@H]([NH+]3CCCC3)C[C@@H]2C)c1 ZINC000553467796 504922334 /nfs/dbraw/zinc/92/23/34/504922334.db2.gz QCMQWJDBSHVLQX-GHTZIAJQSA-N 2 0 372.557 3.297 20 0 FGADRP C[C@@H]([NH2+]CCCC[NH+]1CCN(CCO)CC1)c1ccc(F)c2ccccc21 ZINC000559767426 504924583 /nfs/dbraw/zinc/92/45/83/504924583.db2.gz WVFIGBVEOBAPFX-GOSISDBHSA-N 2 0 373.516 3.020 20 0 FGADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1ccc(C(C)(F)F)cc1 ZINC000559774569 504926514 /nfs/dbraw/zinc/92/65/14/504926514.db2.gz RYDJKRFYEGUKAO-UHFFFAOYSA-N 2 0 355.473 3.144 20 0 FGADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1csc(-c2ccc3c(c2)OCO3)n1 ZINC000562748289 504931836 /nfs/dbraw/zinc/93/18/36/504931836.db2.gz ABPNNUYMEHLYNE-PLFUUQOJSA-N 2 0 357.479 3.144 20 0 FGADRP Cc1ncc2n1C[C@@H](C(=O)N1CCC(CC[N@H+]3CCCC[C@@H]3C)CC1)CC2 ZINC000553513798 504937201 /nfs/dbraw/zinc/93/72/01/504937201.db2.gz OIJGXCMVNRZBRE-PXNSSMCTSA-N 2 0 372.557 3.257 20 0 FGADRP CCn1cccc(C[NH2+]C2CCC([N@H+](C)Cc3ccccc3)CC2)c1=O ZINC000559900347 504947731 /nfs/dbraw/zinc/94/77/31/504947731.db2.gz BACMAHLHQSTYGQ-UHFFFAOYSA-N 2 0 353.510 3.401 20 0 FGADRP CN(CC(C)(C)C[NH3+])C(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000562795650 504948355 /nfs/dbraw/zinc/94/83/55/504948355.db2.gz PVNVMFLHAHSFLA-KRWDZBQOSA-N 2 0 366.937 3.103 20 0 FGADRP CCO[C@@H]1C[C@H]([NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3C)CC2)[C@@H]1n1cccn1 ZINC000559924579 504952278 /nfs/dbraw/zinc/95/22/78/504952278.db2.gz MDSXZKULHXSXPR-URZNZNTCSA-N 2 0 360.546 3.234 20 0 FGADRP Cc1c[nH+]ccc1N1CCC(C(=O)NCCC[NH2+]C2CCCCC2)CC1 ZINC000565707820 504964869 /nfs/dbraw/zinc/96/48/69/504964869.db2.gz TVBHHPPJYGAEMM-UHFFFAOYSA-N 2 0 358.530 3.035 20 0 FGADRP O[C@@H](Cc1ccc(F)cc1)C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000550097521 504966297 /nfs/dbraw/zinc/96/62/97/504966297.db2.gz RMVUJIOZMXLRAM-XZOQPEGZSA-N 2 0 368.496 3.327 20 0 FGADRP C[C@@H]([NH2+]Cc1ccc(F)c(C[NH+](C)C)c1)c1ccc2c(c1)OCC(=O)N2 ZINC000556873181 505002043 /nfs/dbraw/zinc/00/20/43/505002043.db2.gz URURTTAIBSRJAP-CYBMUJFWSA-N 2 0 357.429 3.069 20 0 FGADRP C[C@H]([NH2+]CCc1ccc(OCC[N@@H+]2C[C@H](C)[C@H](C)C2)cc1)c1ncc[nH]1 ZINC000556886896 505006872 /nfs/dbraw/zinc/00/68/72/505006872.db2.gz PUONXEXFERFYTF-KSZLIROESA-N 2 0 356.514 3.270 20 0 FGADRP C[NH+](C)CCOc1cccc(NC(=O)N2CCCC[C@@H]2[C@H]2CCC[NH2+]C2)c1 ZINC000556932252 505021540 /nfs/dbraw/zinc/02/15/40/505021540.db2.gz LUHFDNQQTOHWSV-FXAWDEMLSA-N 2 0 374.529 3.013 20 0 FGADRP C[C@@H]1[C@H](NC(=O)Nc2cccc3c2CC[NH2+]C3)CC[N@@H+]1Cc1ccccc1 ZINC000557028828 505047609 /nfs/dbraw/zinc/04/76/09/505047609.db2.gz SHKZXJUPSNZRTK-OXQOHEQNSA-N 2 0 364.493 3.117 20 0 FGADRP FC(F)(F)CN1CC[C@@H]([NH2+][C@@H]2CCN(Cc3ccccc3)C3(CC3)C2)C1 ZINC000563120111 505052373 /nfs/dbraw/zinc/05/23/73/505052373.db2.gz RVGBHRWABMLBSN-QZTJIDSGSA-N 2 0 367.459 3.410 20 0 FGADRP O=C1CCCN1[C@@H]1CCC[N@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000563203171 505074622 /nfs/dbraw/zinc/07/46/22/505074622.db2.gz FIOSJSZLPYPGGQ-OAQYLSRUSA-N 2 0 355.526 3.259 20 0 FGADRP C[NH+](C)CCN(Cc1ccccc1F)C(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000566102038 505081362 /nfs/dbraw/zinc/08/13/62/505081362.db2.gz HFWUYHCAKLRAFD-HXUWFJFHSA-N 2 0 357.473 3.196 20 0 FGADRP COC1([C@@H](C)[NH2+]Cc2cncc(C[NH2+][C@@H](C)C3(OC)CCC3)c2)CCC1 ZINC000563232842 505082460 /nfs/dbraw/zinc/08/24/60/505082460.db2.gz DGEGMOWYOWDAJR-CALCHBBNSA-N 2 0 361.530 3.176 20 0 FGADRP c1ccc(-c2n[nH]c([C@H]3CCC[N@@H+](Cc4ccc5c(c4)C[NH2+]CC5)C3)n2)cc1 ZINC000563271562 505092447 /nfs/dbraw/zinc/09/24/47/505092447.db2.gz XGKKXJWZOGOYGB-FQEVSTJZSA-N 2 0 373.504 3.497 20 0 FGADRP C[N@@H+]1CC[C@H]([NH2+]C[C@H](CO)Cc2ccc(C(F)(F)F)cc2)[C@@H]2CCC[C@@H]21 ZINC000560544425 505120635 /nfs/dbraw/zinc/12/06/35/505120635.db2.gz QRHPUPZTDHOHCM-BVBHFADKSA-N 2 0 370.459 3.319 20 0 FGADRP C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000554481270 505183644 /nfs/dbraw/zinc/18/36/44/505183644.db2.gz XUZWPYUURONKCT-GUDVDZBRSA-N 2 0 374.529 3.075 20 0 FGADRP c1ccc(C[N@H+]2C[C@@H](C[NH2+][C@@H]3CCCOCC3)C3(C2)CCOCC3)cc1 ZINC000551265377 505188466 /nfs/dbraw/zinc/18/84/66/505188466.db2.gz UZLQTEWMQABNCL-NHCUHLMSSA-N 2 0 358.526 3.074 20 0 FGADRP CC(C)CN(C(=O)CN1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1)C1CC1 ZINC000563658159 505203672 /nfs/dbraw/zinc/20/36/72/505203672.db2.gz UQMDPASJKRYTKP-RTWAWAEBSA-N 2 0 369.553 3.087 20 0 FGADRP CC(C)Cc1ccc([C@H](CNC(=O)NC[C@@H]2CCC[N@H+](C)C2)[NH+](C)C)cc1 ZINC000554550050 505204666 /nfs/dbraw/zinc/20/46/66/505204666.db2.gz ATFMPNFADVHJFT-FPOVZHCZSA-N 2 0 374.573 3.129 20 0 FGADRP C[C@H]([NH2+][C@H]1CCOC2(CCOCC2)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000560920540 505211152 /nfs/dbraw/zinc/21/11/52/505211152.db2.gz SAEAKOXMLNMULQ-HKUYNNGSSA-N 2 0 362.514 3.006 20 0 FGADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000563804459 505243796 /nfs/dbraw/zinc/24/37/96/505243796.db2.gz MVUPRYVXXQKFQY-NVPAJSRCSA-N 3 0 370.463 3.305 20 0 FGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@@H]2CCCc3c4ccccc4[nH]c32)CC1 ZINC000554735208 505252461 /nfs/dbraw/zinc/25/24/61/505252461.db2.gz QFLHKLQSWQQQLG-LAUBAEHRSA-N 2 0 354.542 3.409 20 0 FGADRP CCc1ccc([C@H](CNC(=O)Nc2cccc3c2CC[NH2+]C3)[NH+](C)C)cc1 ZINC000563873506 505263894 /nfs/dbraw/zinc/26/38/94/505263894.db2.gz KAPPVRQVDFRVDA-NRFANRHFSA-N 2 0 366.509 3.319 20 0 FGADRP C[C@H]1C[C@@H]1[N@@H+]1CCN(C(=O)C2CC[NH+](Cc3ccccc3)CC2)C[C@@H](C)C1 ZINC000558022176 505288093 /nfs/dbraw/zinc/28/80/93/505288093.db2.gz HWVJMFVFITYAQO-IPJJNNNSSA-N 2 0 369.553 3.087 20 0 FGADRP Cc1nn(-c2ccccn2)c(C)c1C[NH2+]CCCC[N@H+]1CCC[C@H](C)C1 ZINC000554924698 505300779 /nfs/dbraw/zinc/30/07/79/505300779.db2.gz FGCAXXHYRAAHRR-KRWDZBQOSA-N 2 0 355.530 3.486 20 0 FGADRP C[NH+](C)CCCCC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000566890583 505301881 /nfs/dbraw/zinc/30/18/81/505301881.db2.gz IYAPREJWYIJZKG-SFTDATJTSA-N 2 0 357.542 3.231 20 0 FGADRP O[C@H](C[NH2+][C@H]1CCC[C@@H]1c1cccc(C(F)(F)F)c1)C[NH+]1CCCC1 ZINC000551789828 505307322 /nfs/dbraw/zinc/30/73/22/505307322.db2.gz SGQSIYIQFFRQAD-KURKYZTESA-N 2 0 356.432 3.388 20 0 FGADRP CC(C)[NH+]1CCC(O)(C[NH2+]Cc2c(Cl)cc(Cl)cc2N(C)C)CC1 ZINC000554972433 505316384 /nfs/dbraw/zinc/31/63/84/505316384.db2.gz YVTJVVLFLSJUCH-UHFFFAOYSA-N 2 0 374.356 3.384 20 0 FGADRP CN(C)c1cc(Cl)cc(Cl)c1C[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000554976141 505317220 /nfs/dbraw/zinc/31/72/20/505317220.db2.gz QIZLVGUHTLBMHI-UHFFFAOYSA-N 2 0 373.372 3.175 20 0 FGADRP C[N@H+](Cc1ccccc1)CC(C)(C)NC(=O)Nc1ccn2ccnc2c1 ZINC000554985938 505320669 /nfs/dbraw/zinc/32/06/69/505320669.db2.gz AQQOVKJIXQWKQW-UHFFFAOYSA-N 2 0 351.454 3.366 20 0 FGADRP CC(C)Cc1ccc([C@@H](C[NH2+][C@H](C)C(C)(C)n2cncn2)N(C)C)cc1 ZINC000555002707 505325731 /nfs/dbraw/zinc/32/57/31/505325731.db2.gz FTZSEKRAOSUPTI-YLJYHZDGSA-N 2 0 357.546 3.493 20 0 FGADRP C[C@@H](c1ccc(Br)cc1)[N@H+](C)CCCN(C)CC[NH+](C)C ZINC000564150379 505338077 /nfs/dbraw/zinc/33/80/77/505338077.db2.gz BCEDRLVCUPBZQZ-HNNXBMFYSA-N 2 0 356.352 3.325 20 0 FGADRP CC(C)[N@H+](C)CC1CC[NH+]([C@H](C)C(=O)N2c3ccccc3C[C@@H]2C)CC1 ZINC000551908429 505339413 /nfs/dbraw/zinc/33/94/13/505339413.db2.gz QTFLQYQFLCJECR-ZWKOTPCHSA-N 2 0 357.542 3.405 20 0 FGADRP CN(CCC[N@H+](C)Cc1ccco1)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000561422484 505340899 /nfs/dbraw/zinc/34/08/99/505340899.db2.gz KHLOXAMMQMGARZ-UHFFFAOYSA-N 2 0 364.534 3.052 20 0 FGADRP C[NH+](C)[C@H](CNC(=O)c1ccc(C[NH+]2CCCC2)cc1)c1ccc(F)cc1 ZINC000555079505 505343565 /nfs/dbraw/zinc/34/35/65/505343565.db2.gz ZTALSUZVVRILMH-OAQYLSRUSA-N 2 0 369.484 3.454 20 0 FGADRP CCc1ccc([C@H](CNC(=O)N2CC[C@H]([NH+]3CCCC3)[C@H]2C)[NH+](C)C)cc1 ZINC000558346837 505364912 /nfs/dbraw/zinc/36/49/12/505364912.db2.gz DDKWMWQZWLIKHA-QMMLZNLJSA-N 2 0 372.557 3.120 20 0 FGADRP C[C@H]([NH2+]C1(CO)Cc2ccccc2C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000567147509 505377015 /nfs/dbraw/zinc/37/70/15/505377015.db2.gz PHOHSQCRIHRYOO-AVRDEDQJSA-N 2 0 350.506 3.017 20 0 FGADRP COc1ccc2cc(C[N@H+](C)CCN(C)C3CC[NH+](C)CC3)ccc2c1 ZINC000564319771 505383156 /nfs/dbraw/zinc/38/31/56/505383156.db2.gz YTNPSEZNDBMEAQ-UHFFFAOYSA-N 2 0 355.526 3.306 20 0 FGADRP CCOC1CC(O)(C[NH2+][C@@H]2CCCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000552056633 505383829 /nfs/dbraw/zinc/38/38/29/505383829.db2.gz MHSPAPPUPFODCL-AVSSGJIKSA-N 2 0 372.553 3.197 20 0 FGADRP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)[C@@H]1C[NH2+]C[C@H]1c1ccc(Cl)cc1 ZINC000567176108 505385774 /nfs/dbraw/zinc/38/57/74/505385774.db2.gz IJMWOUVKIHILFY-QGWWYQLQSA-N 2 0 363.933 3.022 20 0 FGADRP C[N@@H+]1CC[C@H]([NH2+]C[C@H](CO)Cc2ccccc2C(F)(F)F)[C@@H]2CCC[C@@H]21 ZINC000552063311 505387139 /nfs/dbraw/zinc/38/71/39/505387139.db2.gz VXKOQCNBYYBOAC-XIVBQZFQSA-N 2 0 370.459 3.319 20 0 FGADRP CC(C)Cc1ccc([C@@H](CNC(=O)N(C)CCC[NH+](C)C)[NH+](C)C)cc1 ZINC000567192256 505390798 /nfs/dbraw/zinc/39/07/98/505390798.db2.gz XKSOVASGRXLOLO-HXUWFJFHSA-N 2 0 362.562 3.081 20 0 FGADRP CC[N@H+](CCC1CCN(C(=O)C2CC[NH+](C3CC3)CC2)CC1)CC1CC1 ZINC000555249326 505391209 /nfs/dbraw/zinc/39/12/09/505391209.db2.gz XHOIRZGJOJFUGV-UHFFFAOYSA-N 2 0 361.574 3.221 20 0 FGADRP C([NH2+]C1CC[NH+](C2CCCC2)CC1)[C@H]1CC[C@@H](c2nc(C3CC3)no2)O1 ZINC000552075333 505391665 /nfs/dbraw/zinc/39/16/65/505391665.db2.gz TUPFEONLXUNFTH-MSOLQXFVSA-N 2 0 360.502 3.164 20 0 FGADRP C[C@@]12CCC[N@@H+]1C[C@H](c1noc(-c3cccc(C[NH+]4CCCC4)c3)n1)OC2 ZINC000567199941 505392632 /nfs/dbraw/zinc/39/26/32/505392632.db2.gz IXYNIRXFCYDXOT-NQIIRXRSSA-N 2 0 368.481 3.258 20 0 FGADRP CC[NH+]1CCC(CC[NH2+]Cc2cn3ccc(Br)cc3n2)CC1 ZINC000558485738 505405995 /nfs/dbraw/zinc/40/59/95/505405995.db2.gz IXXNROQVBGEIDX-UHFFFAOYSA-N 2 0 365.319 3.308 20 0 FGADRP C[C@H](OC[C@@H](O)C[N@@H+]1CC[C@H](c2nccn2C)C1)c1ccc(Cl)cc1 ZINC000567246658 505406582 /nfs/dbraw/zinc/40/65/82/505406582.db2.gz QBCFEMCDIAXENQ-ZVZYQTTQSA-N 2 0 363.889 3.002 20 0 FGADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2cnc(C)n2-c2ccccc2)C1 ZINC000552344055 505467592 /nfs/dbraw/zinc/46/75/92/505467592.db2.gz VRFQGOZCQULICH-NRFANRHFSA-N 2 0 356.514 3.113 20 0 FGADRP Cn1ccc(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)c1 ZINC000555611850 505475110 /nfs/dbraw/zinc/47/51/10/505475110.db2.gz DTJDUEVUSPYKCT-NRFANRHFSA-N 2 0 353.510 3.044 20 0 FGADRP CC(C)(C)[C@H]1CC[C@@H]1[NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000564674253 505489254 /nfs/dbraw/zinc/48/92/54/505489254.db2.gz CDUJKVBRPSOCSW-PMACEKPBSA-N 2 0 357.542 3.427 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cc(F)c2ccccc2c1 ZINC000555683360 505491020 /nfs/dbraw/zinc/49/10/20/505491020.db2.gz BIWRDGXGAPMVKA-IBGZPJMESA-N 2 0 371.500 3.467 20 0 FGADRP CC1(C)C[N@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)[C@H]2CCC[C@H]21 ZINC000555712742 505497322 /nfs/dbraw/zinc/49/73/22/505497322.db2.gz WTFWFRHWIZGBRV-RTWAWAEBSA-N 2 0 369.553 3.409 20 0 FGADRP CC(C)(C)CC[NH+]1CCN(C(=O)c2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000558866034 505514697 /nfs/dbraw/zinc/51/46/97/505514697.db2.gz CZYMNIDVQGCZEE-UHFFFAOYSA-N 2 0 357.542 3.476 20 0 FGADRP Cc1cc(C(C)(C)C)ccc1OC[C@H](O)C[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000564793058 505521941 /nfs/dbraw/zinc/52/19/41/505521941.db2.gz GEIRESNIVJEHBA-FXAWDEMLSA-N 2 0 360.542 3.106 20 0 FGADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000562120522 505523395 /nfs/dbraw/zinc/52/33/95/505523395.db2.gz MCZPZJNVLUPVEZ-WOJBJXKFSA-N 2 0 369.553 3.374 20 0 FGADRP O[C@@H](C[NH2+]C1CC[NH+](CC2CC2)CC1)COc1ccc2ccccc2c1 ZINC000567679473 505533290 /nfs/dbraw/zinc/53/32/90/505533290.db2.gz YMVWIOQPDFRYBI-NRFANRHFSA-N 2 0 354.494 3.044 20 0 FGADRP CCC[N@H+](CC)C[C@@H](C)NC(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C[C@H]1C ZINC000562241063 505549332 /nfs/dbraw/zinc/54/93/32/505549332.db2.gz CZAZMNLXPKUFPG-SFHLNBCPSA-N 2 0 374.573 3.317 20 0 FGADRP Cc1ccccc1[C@@H]([NH3+])C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000567785049 505562719 /nfs/dbraw/zinc/56/27/19/505562719.db2.gz UGLOSITYPGAVNE-HXUWFJFHSA-N 2 0 369.534 3.225 20 0 FGADRP Cc1ccccc1[C@@H]([NH3+])C(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1 ZINC000567811740 505564966 /nfs/dbraw/zinc/56/49/66/505564966.db2.gz CWDCXISKFPTUNK-GOSISDBHSA-N 2 0 361.873 3.227 20 0 FGADRP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCN(Cc3ccccc3)C3(CC3)C2)[C@]12CCCO2 ZINC000567851679 505568415 /nfs/dbraw/zinc/56/84/15/505568415.db2.gz WUCDLWOPVDJRMS-ADYITMSISA-N 2 0 370.537 3.500 20 0 FGADRP C[C@@H](NC(=O)NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1)[C@@H]1CCC[NH2+]C1 ZINC000582774530 506413544 /nfs/dbraw/zinc/41/35/44/506413544.db2.gz OZVCTWYBVUYQJA-DBXWQHBBSA-N 2 0 372.557 3.106 20 0 FGADRP CC[C@H](C)[N@H+](C)CCNC(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000589203977 506482716 /nfs/dbraw/zinc/48/27/16/506482716.db2.gz KLOFKQHCEYVTKM-SFHVURJKSA-N 2 0 352.567 3.205 20 0 FGADRP C[C@H](CCc1ccc(I)cc1)[NH2+]CCC1(C[NH3+])CC1 ZINC000593320488 506538512 /nfs/dbraw/zinc/53/85/12/506538512.db2.gz SKIRANNBFAHBFZ-CYBMUJFWSA-N 2 0 372.294 3.331 20 0 FGADRP C(CC[N@@H+]1CCOC[C@H](C2CCC2)C1)C[NH+]1CCOC[C@H](C2CCC2)C1 ZINC000583060959 506566586 /nfs/dbraw/zinc/56/65/86/506566586.db2.gz GKMXZQJBLLLROP-FGZHOGPDSA-N 2 0 364.574 3.264 20 0 FGADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N1CC[C@H]([NH+](C)Cc2ccccc2)C1 ZINC000608650976 506648719 /nfs/dbraw/zinc/64/87/19/506648719.db2.gz VQGCYZVBDSVRCQ-DYXWJJEUSA-N 2 0 372.557 3.023 20 0 FGADRP CC[N@H+](C)[C@H](C(=O)NCCC[NH+](C)Cc1ccccc1)c1ccccc1 ZINC000589993004 506698649 /nfs/dbraw/zinc/69/86/49/506698649.db2.gz PMQNYZDETYDCTR-NRFANRHFSA-N 2 0 353.510 3.318 20 0 FGADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)NC[C@H]1CCC[NH+]1Cc1ccccc1 ZINC000604080015 506707239 /nfs/dbraw/zinc/70/72/39/506707239.db2.gz HBZMANYOVPJQLS-NHCUHLMSSA-N 2 0 372.557 3.215 20 0 FGADRP CCOc1cccc(Cl)c1CN(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000583329930 506720796 /nfs/dbraw/zinc/72/07/96/506720796.db2.gz GXIKEUGDUCNGBK-UHFFFAOYSA-N 2 0 353.938 3.197 20 0 FGADRP CC1CC[NH+](CCNC(=O)N[C@H](C[NH+]2CCCCC2)c2ccccc2)CC1 ZINC000604170941 506734410 /nfs/dbraw/zinc/73/44/10/506734410.db2.gz HHAPPEOCMHVFDI-OAQYLSRUSA-N 2 0 372.557 3.245 20 0 FGADRP O=C(N[C@H](C[NH+]1CCCCC1)c1ccccc1)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000604173076 506736301 /nfs/dbraw/zinc/73/63/01/506736301.db2.gz HDTLDXDZDUIEDW-NJDAHSKKSA-N 2 0 370.541 3.140 20 0 FGADRP CC[NH+](CC)C[C@H](C)NC(=O)N[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000604183026 506740693 /nfs/dbraw/zinc/74/06/93/506740693.db2.gz ULRIXFXQKNVCST-AZUAARDMSA-N 2 0 360.546 3.243 20 0 FGADRP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)CCOCC(F)(F)F)C2)s1 ZINC000583384531 506749587 /nfs/dbraw/zinc/74/95/87/506749587.db2.gz WPRYTYJRJHSXCJ-AWEZNQCLSA-N 2 0 350.450 3.389 20 0 FGADRP C[NH+](C)[C@@H](CNC(=O)N1CCC[C@H]1C[NH+]1CCCCC1)C1CCCCC1 ZINC000590147575 506750430 /nfs/dbraw/zinc/75/04/30/506750430.db2.gz VYCZCHPHMFGOIE-PMACEKPBSA-N 2 0 364.578 3.157 20 0 FGADRP CC(C[NH+]1CCCC2(CCOCC2)C1)C[N@@H+]1CCCC2(CCOCC2)C1 ZINC000583413903 506764850 /nfs/dbraw/zinc/76/48/50/506764850.db2.gz DKCWFBFARGDDKU-UHFFFAOYSA-N 2 0 364.574 3.408 20 0 FGADRP C[C@@H]1CCN(Cc2ccnn2-c2cc[nH+]cc2)C[C@H]1C(=O)OC(C)(C)C ZINC000597153586 506800851 /nfs/dbraw/zinc/80/08/51/506800851.db2.gz HANMUBAGACWBNK-CRAIPNDOSA-N 2 0 356.470 3.067 20 0 FGADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N[C@@H]2CC23CC[NH2+]CC3)cc1 ZINC000612963355 506841599 /nfs/dbraw/zinc/84/15/99/506841599.db2.gz MWPIAEHQDUUWCT-FXAWDEMLSA-N 2 0 370.541 3.002 20 0 FGADRP CC1CCC([NH+]2CCN(C(=O)NCc3ccc(C[NH+](C)C)cc3)CC2)CC1 ZINC000604575715 506879920 /nfs/dbraw/zinc/87/99/20/506879920.db2.gz JQPRFPOJFCYBOL-UHFFFAOYSA-N 2 0 372.557 3.154 20 0 FGADRP C[NH+]1CCC2(CCCN2C(=O)[C@H]2CCC[N@H+](CCc3ccccc3)C2)CC1 ZINC000613190737 506960237 /nfs/dbraw/zinc/96/02/37/506960237.db2.gz JIZYVHLRRIDWFC-NRFANRHFSA-N 2 0 369.553 3.028 20 0 FGADRP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000594133710 506965865 /nfs/dbraw/zinc/96/58/65/506965865.db2.gz TXMMZFCVPKFORZ-ZVDOUQERSA-N 2 0 372.557 3.386 20 0 FGADRP CC(C)[N@H+](C)CC1CC[NH+](C[C@H](O)COCc2ccccc2Cl)CC1 ZINC000590819031 506979994 /nfs/dbraw/zinc/97/99/94/506979994.db2.gz UUZVCZBAJHVKEO-IBGZPJMESA-N 2 0 368.949 3.270 20 0 FGADRP O=C(NCc1ccc(C[NH+]2CCCC2)cc1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000594290145 507064560 /nfs/dbraw/zinc/06/45/60/507064560.db2.gz ROSYUFYWISPXAT-OAQYLSRUSA-N 2 0 370.541 3.052 20 0 FGADRP CCOC(=O)C1([C@@H](C)[NH2+][C@H]2CC[C@H](OCCC(C)C)CC2)CC[NH2+]CC1 ZINC000600707828 507074949 /nfs/dbraw/zinc/07/49/49/507074949.db2.gz BOQYAFRWVOHOSP-GUDVDZBRSA-N 2 0 368.562 3.271 20 0 FGADRP CC(C)[C@@H](C(=O)NC[C@@H](C)[N@@H+]1CCc2ccccc2C1)[NH+]1CCCCC1 ZINC000591128289 507125881 /nfs/dbraw/zinc/12/58/81/507125881.db2.gz SDTCUMVTVLDZFZ-NQIIRXRSSA-N 2 0 357.542 3.060 20 0 FGADRP Cn1nc(C[NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)c2ccccc21 ZINC000600811984 507132336 /nfs/dbraw/zinc/13/23/36/507132336.db2.gz FKDPWTGPENEJAV-UHFFFAOYSA-N 2 0 364.493 3.338 20 0 FGADRP COc1ccccc1[C@H](CNC(=O)[C@H](C)[NH+]1CCCCCC1)[NH+]1CCCC1 ZINC000605398939 507173253 /nfs/dbraw/zinc/17/32/53/507173253.db2.gz TZPCGNBMTIAQCG-ICSRJNTNSA-N 2 0 373.541 3.213 20 0 FGADRP CCC[NH+]1CCC(N(C)C(=O)c2ccc(Nc3cc[nH+]cc3)cc2)CC1 ZINC000605425605 507189240 /nfs/dbraw/zinc/18/92/40/507189240.db2.gz GNIWDTCGHYNDCI-UHFFFAOYSA-N 2 0 352.482 3.194 20 0 FGADRP C[C@H]([NH2+][C@@H](CO)Cc1ccc(F)cc1)c1cccc(OCC[NH+](C)C)c1 ZINC000584248282 507235746 /nfs/dbraw/zinc/23/57/46/507235746.db2.gz JLAHXQPSYQONKD-OXJNMPFZSA-N 2 0 360.473 3.020 20 0 FGADRP CCC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(OCC[NH+]2CCCC2)c(C)c1 ZINC000605559555 507242158 /nfs/dbraw/zinc/24/21/58/507242158.db2.gz KPLBCFIBXULDJK-IBGZPJMESA-N 2 0 359.514 3.283 20 0 FGADRP C[C@H](CNC(=O)NCc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1)[NH+](C)C1CC1 ZINC000591555150 507288905 /nfs/dbraw/zinc/28/89/05/507288905.db2.gz RXKOEZVGSRQKLQ-ZWKOTPCHSA-N 2 0 372.557 3.200 20 0 FGADRP CC(C)[C@@H](CNC(=O)NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1)[NH+]1CCCC1 ZINC000591559042 507291589 /nfs/dbraw/zinc/29/15/89/507291589.db2.gz CHPJFHREEISZAZ-VAMGGRTRSA-N 2 0 366.594 3.164 20 0 FGADRP CC(C)[C@@H](C(=O)Nc1cccc(NC(=O)C[NH+]2CCCCCC2)c1)[C@@H](C)[NH3+] ZINC000584348112 507295501 /nfs/dbraw/zinc/29/55/01/507295501.db2.gz YSBCTYQSFMJNFW-OXQOHEQNSA-N 2 0 374.529 3.059 20 0 FGADRP CCOC(=O)C1([C@H](C)[NH2+]CCc2ccc(C(F)(F)F)cc2)CC[NH2+]CC1 ZINC000591567372 507295719 /nfs/dbraw/zinc/29/57/19/507295719.db2.gz SUUDRJQZEQIAQW-AWEZNQCLSA-N 2 0 372.431 3.159 20 0 FGADRP CC(C)[N@@H+]1CC[C@@H](CNC(=O)NCC(C)(C)[NH2+][C@H](C)c2ccccc2)C1 ZINC000598175401 507296127 /nfs/dbraw/zinc/29/61/27/507296127.db2.gz GEIRWNHWLVLMRB-MSOLQXFVSA-N 2 0 360.546 3.145 20 0 FGADRP C[C@H]([NH2+][C@H]1CCC[NH2+]CC1)c1ccc(F)c(I)c1 ZINC000591578392 507299125 /nfs/dbraw/zinc/29/91/25/507299125.db2.gz YUNJNRBSRQVWSJ-JQWIXIFHSA-N 2 0 362.230 3.223 20 0 FGADRP CC(C)(C)OC(=O)C1CCC([NH2+]Cc2ccnn2-c2cc[nH+]cc2)CC1 ZINC000594934944 507321301 /nfs/dbraw/zinc/32/13/01/507321301.db2.gz LTQAIUAZFRQWGW-UHFFFAOYSA-N 2 0 356.470 3.257 20 0 FGADRP COC(=O)CC1CC([NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000591656132 507324496 /nfs/dbraw/zinc/32/44/96/507324496.db2.gz KTELFVMBLCATCA-ZOBFTUDESA-N 2 0 356.510 3.218 20 0 FGADRP CC[NH+](CC)Cc1ccc(CNC(=O)N2CC[N@H+](C)C[C@H]2C(C)C)cc1 ZINC000606627602 507459234 /nfs/dbraw/zinc/45/92/34/507459234.db2.gz SCKYDKOKOXOPCH-FQEVSTJZSA-N 2 0 360.546 3.010 20 0 FGADRP O=C(CC[NH2+]Cc1ccccc1C[NH+]1CCCCC1)Nc1cccnc1 ZINC000584715503 507467540 /nfs/dbraw/zinc/46/75/40/507467540.db2.gz VQPLGYWOJNRQAG-UHFFFAOYSA-N 2 0 352.482 3.186 20 0 FGADRP Cc1ccc([C@@H](CNC(=O)N[C@H](C)C2CC[NH+](C)CC2)[NH+]2CCCC2)cc1 ZINC000606662120 507473393 /nfs/dbraw/zinc/47/33/93/507473393.db2.gz NRENYMFZUIIMRA-WIYYLYMNSA-N 2 0 372.557 3.161 20 0 FGADRP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000606684339 507478515 /nfs/dbraw/zinc/47/85/15/507478515.db2.gz QVFXTFCSUJAHFQ-UXHICEINSA-N 2 0 364.578 3.301 20 0 FGADRP CC[N@@H+]1CC[C@H](CNC(=O)c2ccccc2OCC[NH+]2CCCC[C@H]2C)C1 ZINC000595407437 507483110 /nfs/dbraw/zinc/48/31/10/507483110.db2.gz RUAAOFUDKBCUSZ-RTBURBONSA-N 2 0 373.541 3.011 20 0 FGADRP C[C@@H](NC(=O)N1CC[N@H+](Cc2ccccc2)C(C)(C)C1)C1CC[NH+](C)CC1 ZINC000606701665 507488202 /nfs/dbraw/zinc/48/82/02/507488202.db2.gz HRUPDTWROGBTFU-GOSISDBHSA-N 2 0 372.557 3.023 20 0 FGADRP C[C@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000592377052 507626788 /nfs/dbraw/zinc/62/67/88/507626788.db2.gz RKMASBFOVXWGDQ-RBUKOAKNSA-N 2 0 373.541 3.106 20 0 FGADRP COC(=O)c1ccc(Cl)c(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC000592433645 507655490 /nfs/dbraw/zinc/65/54/90/507655490.db2.gz MZGAJXBIWFOHDG-CVEARBPZSA-N 2 0 350.890 3.338 20 0 FGADRP CC(C)[C@@H](C(=O)NCc1ccc(C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1)[NH+](C)C ZINC000592450458 507660328 /nfs/dbraw/zinc/66/03/28/507660328.db2.gz BESQEIGCXPDRGI-OPYAIIAOSA-N 2 0 359.558 3.367 20 0 FGADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000607280661 507678078 /nfs/dbraw/zinc/67/80/78/507678078.db2.gz HNSPSHNYQXWURM-RTBURBONSA-N 2 0 357.542 3.408 20 0 FGADRP COC(=O)CC[N@H+](CCCC1CC[NH2+]CC1)Cc1ccc(F)c(F)c1 ZINC000592493342 507678716 /nfs/dbraw/zinc/67/87/16/507678716.db2.gz NLCJZBKJAYXXJG-UHFFFAOYSA-N 2 0 354.441 3.110 20 0 FGADRP Cc1cccn2cc(CC(=O)N3CCC[C@@H](C[NH+]4CCC(C)CC4)C3)nc12 ZINC000586839803 507690038 /nfs/dbraw/zinc/69/00/38/507690038.db2.gz PEIXGJABJYNZES-IBGZPJMESA-N 2 0 368.525 3.156 20 0 FGADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000595825834 507702446 /nfs/dbraw/zinc/70/24/46/507702446.db2.gz JSCICDKNUQZGRR-WOJBJXKFSA-N 2 0 364.578 3.301 20 0 FGADRP CCC[N@H+](CC)Cc1ccc(C(=O)N2CCC3(C2)CC[NH+](C)CC3)cc1 ZINC000614963481 507707300 /nfs/dbraw/zinc/70/73/00/507707300.db2.gz HHPKEVKOVNDRKP-UHFFFAOYSA-N 2 0 357.542 3.476 20 0 FGADRP CC[N@H+](Cc1ccc(C(=O)N(C)[C@@H]2CC[NH+](CC)C[C@@H]2C)cc1)C1CC1 ZINC000607520481 507756367 /nfs/dbraw/zinc/75/63/67/507756367.db2.gz ORXDGHRQZMEJKR-LAUBAEHRSA-N 2 0 357.542 3.473 20 0 FGADRP CCC[NH+]1CCC(C[NH2+][C@@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2C)CC1 ZINC000779053959 724385145 /nfs/dbraw/zinc/38/51/45/724385145.db2.gz GGHYNIUSRYAGEZ-SJLPKXTDSA-N 2 0 353.551 3.344 20 0 FGADRP CCC1([NH+]2CCCC2)CCN(C(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC000636730097 567985370 /nfs/dbraw/zinc/98/53/70/567985370.db2.gz DZWXJTJFSVZQJJ-IBGZPJMESA-N 2 0 364.578 3.157 20 0 FGADRP CC[C@@H]1CN(C(=O)NCc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)CC[C@H]1[NH3+] ZINC000669121472 568069636 /nfs/dbraw/zinc/06/96/36/568069636.db2.gz BHDXGRVJJJGCQH-IOMROCGXSA-N 2 0 372.557 3.187 20 0 FGADRP c1cc(-c2nn[nH]n2)sc1C[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000826514725 608737734 /nfs/dbraw/zinc/73/77/34/608737734.db2.gz AVWQNLUZESLBEX-UHFFFAOYSA-N 2 0 360.531 3.016 20 0 FGADRP CC(C)CN(CC[NH+](C)C)C(=O)NC1CCC([NH+]2CCCCC2)CC1 ZINC000080203598 700312300 /nfs/dbraw/zinc/31/23/00/700312300.db2.gz FSEUQIGGTWZZPW-UHFFFAOYSA-N 2 0 352.567 3.013 20 0 FGADRP CCC[NH+]1CCC(C[NH2+][C@H](C)CC(=O)Nc2cccnc2Cl)CC1 ZINC000122643594 700693379 /nfs/dbraw/zinc/69/33/79/700693379.db2.gz OHIYLIWESZDLNG-CQSZACIVSA-N 2 0 352.910 3.164 20 0 FGADRP CC(C)(C)OC(=O)N1CC[C@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)C1 ZINC000164499018 705330093 /nfs/dbraw/zinc/33/00/93/705330093.db2.gz AFBXNDZLRHGSGX-KRWDZBQOSA-N 2 0 351.535 3.383 20 0 FGADRP C[C@@H]([NH2+][C@H]1CCN(c2ccc(Br)cc2)C1)C1CC[NH+](C)CC1 ZINC000164763416 705332534 /nfs/dbraw/zinc/33/25/34/705332534.db2.gz TYJIZGMMKAOKKT-PBHICJAKSA-N 2 0 366.347 3.348 20 0 FGADRP CC1CC[NH+](CCC[NH2+][C@H]2CCCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000182692756 705856887 /nfs/dbraw/zinc/85/68/87/705856887.db2.gz DMZIKVJHMMLMHV-SFHVURJKSA-N 2 0 353.551 3.488 20 0 FGADRP CC[NH+](CC)C[C@H]1CC[N@H+](C[C@]2(C)CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000195175201 713547943 /nfs/dbraw/zinc/54/79/43/713547943.db2.gz MMHOTVFDRAABDQ-XLIONFOSSA-N 2 0 353.551 3.297 20 0 FGADRP C[C@H](C[NH2+][C@H]1CCCC[C@@H]1CNC(=O)OC(C)(C)C)C[NH+]1CCCC1 ZINC000301466923 713782110 /nfs/dbraw/zinc/78/21/10/713782110.db2.gz WMDNUBNEZFTKTJ-KURKYZTESA-N 2 0 353.551 3.391 20 0 FGADRP CC(C)(C)OC(=O)N1CC[C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)C(C)(C)C1 ZINC000310677744 713800228 /nfs/dbraw/zinc/80/02/28/713800228.db2.gz QBLZSYQTZLBWFL-IKGGRYGDSA-N 2 0 351.535 3.238 20 0 FGADRP CC(C)(C)OC(=O)Nc1ncc(CN[C@H]2CC[N@@H+]3CCC[C@H]3C2)s1 ZINC000374328290 713913837 /nfs/dbraw/zinc/91/38/37/713913837.db2.gz IAGUFTVSLBISKV-STQMWFEESA-N 2 0 352.504 3.207 20 0 FGADRP CC(C)(C)OC(=O)N[C@@H]1CCCCC[C@@H]1[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000385405789 713983088 /nfs/dbraw/zinc/98/30/88/713983088.db2.gz AEQMXHISTGOOJN-XLAORIBOSA-N 2 0 351.535 3.429 20 0 FGADRP C[NH+]1CCC(C)(C[NH2+][C@@H]2CCCC[C@H]2CNC(=O)OC(C)(C)C)CC1 ZINC000385447510 713983607 /nfs/dbraw/zinc/98/36/07/713983607.db2.gz WWRDSSUONAMRFU-DLBZAZTESA-N 2 0 353.551 3.391 20 0 FGADRP C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000414933977 714005791 /nfs/dbraw/zinc/00/57/91/714005791.db2.gz XMARLJIKLVFMDC-MBNYWOFBSA-N 2 0 359.392 3.162 20 0 FGADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+][C@H]1CCSc2c(Cl)cccc21 ZINC000471598839 714081111 /nfs/dbraw/zinc/08/11/11/714081111.db2.gz MFWBHHINFJJUON-YOEHRIQHSA-N 2 0 353.963 3.493 20 0 FGADRP O=C(CC[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2)Nc1c(Cl)cccc1Cl ZINC000517567629 714136734 /nfs/dbraw/zinc/13/67/34/714136734.db2.gz VQZNXUKPXPPHAA-QGZVFWFLSA-N 2 0 356.297 3.398 20 0 FGADRP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)NC[C@H](C1CCCCC1)[NH+](C)C ZINC000521698040 714142741 /nfs/dbraw/zinc/14/27/41/714142741.db2.gz NIUKSSYRFALBSF-ZIFCJYIRSA-N 2 0 352.567 3.059 20 0 FGADRP CC(C)[N@H+](C)CCNC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000523195819 714222281 /nfs/dbraw/zinc/22/22/81/714222281.db2.gz AYQVNOHPNKKTMY-GOSISDBHSA-N 2 0 366.937 3.116 20 0 FGADRP CCCC[NH+]1CCC(NC(=O)NC[C@H](C2CCCCC2)[NH+](C)C)CC1 ZINC000523351759 714229272 /nfs/dbraw/zinc/22/92/72/714229272.db2.gz HADMNZYGGNUMRH-LJQANCHMSA-N 2 0 352.567 3.061 20 0 FGADRP C[NH+]1CCC(C[NH2+]Cc2cc(Cl)ccc2OC[C@H]2CCCO2)CC1 ZINC000525758854 714375854 /nfs/dbraw/zinc/37/58/54/714375854.db2.gz MJVFXDGPBVYOIA-GOSISDBHSA-N 2 0 352.906 3.329 20 0 FGADRP CC1CCN(Cc2csc(NC(=O)CC[C@@H]3CCC[NH2+]C3)n2)CC1 ZINC000621645210 715013944 /nfs/dbraw/zinc/01/39/44/715013944.db2.gz CQLWPDCGIBDWSY-HNNXBMFYSA-N 2 0 350.532 3.093 20 0 FGADRP Brc1cccc(CCC[NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000643469467 718035365 /nfs/dbraw/zinc/03/53/65/718035365.db2.gz XLEZHSBWLJPKRR-OKZBNKHCSA-N 2 0 367.331 3.128 20 0 FGADRP COc1ccc(Cl)cc1N1CC[C@H]([NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)C1 ZINC000623396341 715326773 /nfs/dbraw/zinc/32/67/73/715326773.db2.gz PCZRERHOGGFLFH-CVEARBPZSA-N 2 0 351.922 3.390 20 0 FGADRP C[N@@H+]1CC[C@@H]([NH2+]C[C@@H](CO)Cc2ccccc2C(F)(F)F)CC1(C)C ZINC000623454674 715339911 /nfs/dbraw/zinc/33/99/11/715339911.db2.gz NQSHXOCMDBTSSN-GOEBONIOSA-N 2 0 358.448 3.319 20 0 FGADRP CCOc1cc(C[NH2+]CC2CC[NH+](CC3CC3)CC2)c(F)cc1OC ZINC000623574940 715364985 /nfs/dbraw/zinc/36/49/85/715364985.db2.gz BNOMJKXKEYSFCD-UHFFFAOYSA-N 2 0 350.478 3.445 20 0 FGADRP Cc1ccc(Br)cc1[C@@H](C)[NH2+]CCCC[NH+]1CCN(C)CC1 ZINC000623862113 715417574 /nfs/dbraw/zinc/41/75/74/715417574.db2.gz MEKGOAQTYJUDFB-MRXNPFEDSA-N 2 0 368.363 3.436 20 0 FGADRP COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]C[C@@H]1CCCC[N@H+](C)C1 ZINC000624119930 715476732 /nfs/dbraw/zinc/47/67/32/715476732.db2.gz MUSDEQNEROJJHX-GJZGRUSLSA-N 2 0 367.921 3.387 20 0 FGADRP CN1CCO[C@@H]([C@H](NC[C@H]2CCCC[N@H+](C)C2)c2ccc(Cl)cc2)C1 ZINC000624122584 715477330 /nfs/dbraw/zinc/47/73/30/715477330.db2.gz WDOOKMVCKQVTEJ-NSISKUIASA-N 2 0 365.949 3.033 20 0 FGADRP C[NH+](C)C[C@@H](NC(=O)NCCC1(C[NH3+])CC1)c1ccc(Cl)c(Cl)c1 ZINC000627109980 715997676 /nfs/dbraw/zinc/99/76/76/715997676.db2.gz SDJWKCZCJQISMW-OAHLLOKOSA-N 2 0 373.328 3.024 20 0 FGADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2CCc1cccc(C(F)(F)F)c1 ZINC000628191006 716123284 /nfs/dbraw/zinc/12/32/84/716123284.db2.gz XFTQCDZQJKQZCK-KURKYZTESA-N 2 0 356.432 3.431 20 0 FGADRP FC(F)(F)c1cccc(CC[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)c1 ZINC000628217941 716126331 /nfs/dbraw/zinc/12/63/31/716126331.db2.gz NZIRIOWGXWVGRT-MRXNPFEDSA-N 2 0 356.432 3.338 20 0 FGADRP [NH3+]C[C@@H]1CN(CCOc2ccc(F)cc2Cl)CC[C@H]1C(F)(F)F ZINC000629559540 716307020 /nfs/dbraw/zinc/30/70/20/716307020.db2.gz BGYDHUJTRQGTDC-ZYHUDNBSSA-N 2 0 354.775 3.317 20 0 FGADRP O[C@H]1CCC[C@H]1[NH+]1CCC([NH2+]Cc2ccccc2CC(F)(F)F)CC1 ZINC000631091295 716563602 /nfs/dbraw/zinc/56/36/02/716563602.db2.gz LTYGNXOZQSWVTC-MSOLQXFVSA-N 2 0 356.432 3.259 20 0 FGADRP C[NH+](C)CC[C@@H](NC(=O)N1CCC(C)([NH+]2CCCC2)CC1)C(C)(C)C ZINC000633018422 716858173 /nfs/dbraw/zinc/85/81/73/716858173.db2.gz ZKZVGRAQHPUPAR-QGZVFWFLSA-N 2 0 352.567 3.013 20 0 FGADRP FC(F)(F)c1cccc(C2(C[NH2+]CC34CC(C3)C[NH2+]4)CCOCC2)c1 ZINC000634995928 717139095 /nfs/dbraw/zinc/13/90/95/717139095.db2.gz UHNPUUBKYLQMBK-UHFFFAOYSA-N 2 0 354.416 3.095 20 0 FGADRP C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@H]1CC[C@H](C[NH3+])CC1 ZINC000635009780 717139522 /nfs/dbraw/zinc/13/95/22/717139522.db2.gz ZNGJPXAXIZYURH-YDHLFZDLSA-N 2 0 368.319 3.273 20 0 FGADRP CC[NH+](CC)CCC[C@@H](C)NC(=O)[C@@H]([NH3+])c1ccc(C(F)(F)F)cc1 ZINC000638047999 717404079 /nfs/dbraw/zinc/40/40/79/717404079.db2.gz LWQKGGGFCKFAAY-CJNGLKHVSA-N 2 0 359.436 3.332 20 0 FGADRP Cc1cc(Br)ccc1C[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000638609090 717470017 /nfs/dbraw/zinc/47/00/17/717470017.db2.gz NPJQCWSIDUYXCL-UHFFFAOYSA-N 2 0 355.320 3.082 20 0 FGADRP C[NH+](C)C[C@@H](NC(=O)[C@@H]1CC12CC[NH2+]CC2)c1ccc(Cl)c(Cl)c1 ZINC000638665073 717473901 /nfs/dbraw/zinc/47/39/01/717473901.db2.gz ZKISEQMKCDMAKS-XJKSGUPXSA-N 2 0 370.324 3.102 20 0 FGADRP C[NH+]1CCC2(CC[N@H+](CCc3nc(-c4cccc(Cl)c4)no3)C2)CC1 ZINC000639758992 717599164 /nfs/dbraw/zinc/59/91/64/717599164.db2.gz ZHXRYKAITGFWSB-UHFFFAOYSA-N 2 0 360.889 3.350 20 0 FGADRP COc1cc2[nH+]ccc(N3CC[C@@H]4CC[NH2+][C@H]4C3)c2cc1Br ZINC000644181097 718091146 /nfs/dbraw/zinc/09/11/46/718091146.db2.gz DSMVECOUEAHYOO-NHYWBVRUSA-N 2 0 362.271 3.194 20 0 FGADRP C[NH+](C)Cc1cc(C[NH2+]C[C@@H](O)COc2ccc(Cl)cc2)ccc1F ZINC000644568668 718126780 /nfs/dbraw/zinc/12/67/80/718126780.db2.gz OBLBUVNJGOPPOQ-QGZVFWFLSA-N 2 0 366.864 3.070 20 0 FGADRP COc1cc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)ccc1OCC(F)(F)F ZINC000647549722 718367213 /nfs/dbraw/zinc/36/72/13/718367213.db2.gz OCBZFTPMBFLESA-SOUVJXGZSA-N 2 0 358.404 3.114 20 0 FGADRP FC(F)(F)c1cnc(OCC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)c(Cl)c1 ZINC000647550427 718367222 /nfs/dbraw/zinc/36/72/22/718367222.db2.gz PZAOCXUKJXDVNS-GMXVVIOVSA-N 2 0 363.811 3.110 20 0 FGADRP O=C1[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)CCN1c1ccc(Cl)c(Cl)c1 ZINC000647794418 718377921 /nfs/dbraw/zinc/37/79/21/718377921.db2.gz ZWXIHFAGJGWPCH-HPTBWKMGSA-N 2 0 368.308 3.076 20 0 FGADRP COc1ccc(Br)cc1C1([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000647801519 718378527 /nfs/dbraw/zinc/37/85/27/718378527.db2.gz WZHNRJISQJMXNW-UMVBOHGHSA-N 2 0 365.315 3.425 20 0 FGADRP O=C(CC[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1)Nc1ccc(Cl)cc1F ZINC000647902060 718385597 /nfs/dbraw/zinc/38/55/97/718385597.db2.gz ZIHIJOCKJJSPPF-CJNGLKHVSA-N 2 0 353.869 3.272 20 0 FGADRP C[C@H](NC(=O)C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1)c1ccccc1Cl ZINC000647976897 718391331 /nfs/dbraw/zinc/39/13/31/718391331.db2.gz VWOUOOFYKDMNEE-YESZJQIVSA-N 2 0 363.933 3.229 20 0 FGADRP C[C@H](C(=O)Nc1cc(F)ccc1F)[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647977030 718391364 /nfs/dbraw/zinc/39/13/64/718391364.db2.gz XEXQRMYSRFTSCK-ILXRZTDVSA-N 2 0 351.441 3.003 20 0 FGADRP O=C(Nc1ccc(Cl)cn1)[C@@H]1CCC[N@H+](CCCC2CC[NH2+]CC2)C1 ZINC000649411789 718512403 /nfs/dbraw/zinc/51/24/03/718512403.db2.gz CFDOABCCLIOUNF-MRXNPFEDSA-N 2 0 364.921 3.165 20 0 FGADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@H+](Cc3cc(F)ccc3Br)C2)C1 ZINC000650708245 718718203 /nfs/dbraw/zinc/71/82/03/718718203.db2.gz WETNRHRJHPKOIR-XGWLTEMNSA-N 2 0 371.294 3.307 20 0 FGADRP FC(F)(F)[C@H]1CCC2(CC[NH2+]CC2)N1c1ccc(C[NH+]2CCCC2)cn1 ZINC001164413695 718881024 /nfs/dbraw/zinc/88/10/24/718881024.db2.gz KQTJTDVINKUTLE-MRXNPFEDSA-N 2 0 368.447 3.331 20 0 FGADRP Cc1oc(-c2cccs2)nc1C[N@@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652347145 718934898 /nfs/dbraw/zinc/93/48/98/718934898.db2.gz STRSJUAKJAHHOF-UXLLHSPISA-N 2 0 361.511 3.430 20 0 FGADRP CC(C)CCc1nc(C[N@@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)cs1 ZINC000652348662 718935229 /nfs/dbraw/zinc/93/52/29/718935229.db2.gz MKSJWOTYARXLEQ-JZXOWHBKSA-N 2 0 351.560 3.450 20 0 FGADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@H+](CCOc3ccc(Cl)c(F)c3)C2)C1 ZINC000652350377 718935273 /nfs/dbraw/zinc/93/52/73/718935273.db2.gz WHHYDQMLEGPQNF-HBUWYVDXSA-N 2 0 356.869 3.076 20 0 FGADRP CC(C)C[C@@H](C[NH3+])NC(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000652612827 718965942 /nfs/dbraw/zinc/96/59/42/718965942.db2.gz CKWBSRVAQSWPMA-KRWDZBQOSA-N 2 0 364.559 3.369 20 0 FGADRP O=C(Nc1ccc(SCC[NH+]2CCCC2)cc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000653253067 719030709 /nfs/dbraw/zinc/03/07/09/719030709.db2.gz FUJZISWTKCCBAN-SFHVURJKSA-N 2 0 359.539 3.203 20 0 FGADRP C[NH+](C)C[C@H](NC1CC[NH+](C[C@H]2CCCO2)CC1)c1ccc(Cl)cc1 ZINC000655765633 719336762 /nfs/dbraw/zinc/33/67/62/719336762.db2.gz IDSBPNHLNAVHEB-UXHICEINSA-N 2 0 365.949 3.176 20 0 FGADRP CCOc1cc(C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)cc(Br)c1OC ZINC000655825882 719344913 /nfs/dbraw/zinc/34/49/13/719344913.db2.gz NXWWLHPSNOTRJD-XBXGTLAGSA-N 2 0 371.319 3.286 20 0 FGADRP Cc1ncsc1-c1ccc(C[NH2+]C2CCN(CC[NH+](C)C)CC2)cc1 ZINC000657306035 719622458 /nfs/dbraw/zinc/62/24/58/719622458.db2.gz QIMGYSOZEUTCNB-UHFFFAOYSA-N 2 0 358.555 3.234 20 0 FGADRP C([NH2+][C@H]1CCC[C@H]([C@@H]2CCOC2)C1)C1CC[NH+](C2CCOCC2)CC1 ZINC000657537403 719668136 /nfs/dbraw/zinc/66/81/36/719668136.db2.gz JTVGIFUNFKEMDM-ZCNNSNEGSA-N 2 0 350.547 3.062 20 0 FGADRP O[C@H]1CC[N@H+](Cc2ccc(C[NH2+]Cc3cc4ccncc4s3)cc2)C1 ZINC000657595148 719680991 /nfs/dbraw/zinc/68/09/91/719680991.db2.gz FOAMPTGDFQJURF-SFHVURJKSA-N 2 0 353.491 3.153 20 0 FGADRP C[C@@H]1C[N@@H+](Cc2ccc(C[NH2+]C3CC(CF)(CF)C3)cc2)C[C@H](C)O1 ZINC000657829314 719718198 /nfs/dbraw/zinc/71/81/98/719718198.db2.gz YCSRYIIUZKWXFS-IYBDPMFKSA-N 2 0 352.469 3.473 20 0 FGADRP c1ccc(CN2CC[NH+](CCCC[NH2+][C@@H]3CCCSCC3)CC2)cc1 ZINC000657841615 719719322 /nfs/dbraw/zinc/71/93/22/719719322.db2.gz PUXVBUJKWWTGMR-OAQYLSRUSA-N 2 0 361.599 3.460 20 0 FGADRP c1ccc(CN2CC[NH+](CCCC[NH2+][C@H]3CCCSCC3)CC2)cc1 ZINC000657841613 719719578 /nfs/dbraw/zinc/71/95/78/719719578.db2.gz PUXVBUJKWWTGMR-NRFANRHFSA-N 2 0 361.599 3.460 20 0 FGADRP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+][C@H]3Cc4ccc(Cl)cc4C3)cc2)C1 ZINC000658135785 719761357 /nfs/dbraw/zinc/76/13/57/719761357.db2.gz AUMZIFJSRQRKQS-LEWJYISDSA-N 2 0 356.897 3.164 20 0 FGADRP CCc1nc(C)c([C@@H](C)[NH2+]Cc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)s1 ZINC000658137544 719762171 /nfs/dbraw/zinc/76/21/71/719762171.db2.gz HJKQZSIHDOJUKT-KDOFPFPSSA-N 2 0 359.539 3.431 20 0 FGADRP CC[NH+](CC)CCCN(Cc1ccc(Cl)cc1)C(=O)N[C@H](C)[C@@H](C)[NH3+] ZINC000659549377 719925007 /nfs/dbraw/zinc/92/50/07/719925007.db2.gz MRFSIPHXSUOUJC-HZPDHXFCSA-N 2 0 368.953 3.319 20 0 FGADRP CCC[N@@H+]1CC[C@@H](NC(=O)N2CCC(CCC[NH+](CC)CC)CC2)C1 ZINC000661948280 720348026 /nfs/dbraw/zinc/34/80/26/720348026.db2.gz HJKDNKSAAKCFGH-LJQANCHMSA-N 2 0 352.567 3.014 20 0 FGADRP Clc1ccc2oc(C3CC[NH+](C[C@@H]4CCC5(C[NH2+]C5)O4)CC3)nc2c1 ZINC000662260604 720406363 /nfs/dbraw/zinc/40/63/63/720406363.db2.gz NMGQFOVYKZZLDD-HNNXBMFYSA-N 2 0 361.873 3.182 20 0 FGADRP Brc1ccc([C@H]2CCC[N@@H+]2C[C@H]2CCC3(C[NH2+]C3)O2)s1 ZINC000662281740 720409399 /nfs/dbraw/zinc/40/93/99/720409399.db2.gz ZTQRLDIOLPALAA-VXGBXAGGSA-N 2 0 357.317 3.169 20 0 FGADRP C[C@H](C(=O)NCc1ccccc1Cl)[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662290749 720410527 /nfs/dbraw/zinc/41/05/27/720410527.db2.gz JLEAKVBWOPURRC-NVXWUHKLSA-N 2 0 363.933 3.056 20 0 FGADRP C[C@H](C(=O)Nc1cc(F)ccc1F)[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662294656 720411516 /nfs/dbraw/zinc/41/15/16/720411516.db2.gz DJYTYPMIIVOOSN-HIFRSBDPSA-N 2 0 351.441 3.003 20 0 FGADRP C[NH+](C)CCOc1ccc(NC(=O)c2cccc3c2C[NH2+]C3)cc1Cl ZINC000662465429 720431300 /nfs/dbraw/zinc/43/13/00/720431300.db2.gz IRSKKBPSVHXRED-UHFFFAOYSA-N 2 0 359.857 3.136 20 0 FGADRP CC(C)C[C@H](C[NH3+])CC(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1 ZINC000662466963 720431387 /nfs/dbraw/zinc/43/13/87/720431387.db2.gz ZTSQIIDVJMUBPZ-AWEZNQCLSA-N 2 0 355.910 3.230 20 0 FGADRP CC[NH+](CC)CCN(Cc1ccc(Cl)cc1)C(=O)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000662654192 720449935 /nfs/dbraw/zinc/44/99/35/720449935.db2.gz CAHCNDZLWVVRAQ-UYAOXDASSA-N 2 0 363.933 3.010 20 0 FGADRP [NH3+]C1(C(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)CC2(CCC2)C1 ZINC000662663053 720450627 /nfs/dbraw/zinc/45/06/27/720450627.db2.gz DNJRCKDBKFUZNK-KRWDZBQOSA-N 2 0 361.917 3.255 20 0 FGADRP C[NH+](C)CCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)CC1([NH3+])CC1 ZINC000662787693 720458122 /nfs/dbraw/zinc/45/81/22/720458122.db2.gz BFWBQQIEAPDHKO-UHFFFAOYSA-N 2 0 358.313 3.155 20 0 FGADRP CC(C)(C)[N@@H+]1CC[C@H](NC(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)C1 ZINC000663450624 720515998 /nfs/dbraw/zinc/51/59/98/720515998.db2.gz KGEHIUPHVINNFJ-JKSUJKDBSA-N 2 0 364.559 3.057 20 0 FGADRP [NH3+]Cc1cccc(NC(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)c1 ZINC000667729457 721165156 /nfs/dbraw/zinc/16/51/56/721165156.db2.gz HSKHMZVAHHEMOP-MRXNPFEDSA-N 2 0 358.511 3.241 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N1CCC(C)([NH3+])CC1)c1ccccc1Cl ZINC000668649523 721325284 /nfs/dbraw/zinc/32/52/84/721325284.db2.gz IQSTXWAXNVMKAR-QGZVFWFLSA-N 2 0 366.937 3.246 20 0 FGADRP CC1CC[NH+]([C@H](CNC(=O)NC2CCC([NH3+])CC2)c2cccs2)CC1 ZINC000668644698 721325537 /nfs/dbraw/zinc/32/55/37/721325537.db2.gz JACRFUPRWHTHDD-OFLPRAFFSA-N 2 0 364.559 3.090 20 0 FGADRP CCC[N@H+](C)[C@@H](CNC(=O)N[C@@H]1CCC[NH+](C)C1)c1ccc(Cl)cc1 ZINC000672454645 721634074 /nfs/dbraw/zinc/63/40/74/721634074.db2.gz QYCIDCKSTLQFSB-MSOLQXFVSA-N 2 0 366.937 3.116 20 0 FGADRP CCOCC(C)(C)C[NH2+]Cc1c(Cl)cccc1N1CC[NH+](C)CC1 ZINC000674062846 721681628 /nfs/dbraw/zinc/68/16/28/721681628.db2.gz ZXHGBMUDMJKTNZ-UHFFFAOYSA-N 2 0 353.938 3.244 20 0 FGADRP C[N@@H+]1CCC[C@@H]2C[NH+](C[C@@H](O)COc3ccc(Cl)c(Cl)c3)CC[C@@H]21 ZINC000675734150 721771179 /nfs/dbraw/zinc/77/11/79/721771179.db2.gz XPQMKPWTYFXJHJ-LBTNJELSSA-N 2 0 373.324 3.149 20 0 FGADRP Cc1c[nH+]c(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)c(N)c1 ZINC001165028912 721820245 /nfs/dbraw/zinc/82/02/45/721820245.db2.gz YCILGGKRZUZGAR-ILZDJORESA-N 2 0 351.498 3.104 20 0 FGADRP CCC[N@@H+]1CCCC[C@H]1c1ccc(N2CC[NH+](C[C@@H]3CCCO3)CC2)nc1 ZINC001165041634 721924552 /nfs/dbraw/zinc/92/45/52/721924552.db2.gz AKTIASNUAHLVBE-SFTDATJTSA-N 2 0 372.557 3.320 20 0 FGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+][C@@H](C)CCCCO)CC1 ZINC000679341028 722024068 /nfs/dbraw/zinc/02/40/68/722024068.db2.gz WBCOPNFHAUMBPV-IRXDYDNUSA-N 2 0 351.510 3.169 20 0 FGADRP C[C@H]([NH2+][C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)C1CC[NH+](C)CC1 ZINC000679366100 722025353 /nfs/dbraw/zinc/02/53/53/722025353.db2.gz JQRURQFXFCSSJE-SJCJKPOMSA-N 2 0 370.324 3.419 20 0 FGADRP CC[N@H+](CCNC(=O)N1CCC(C[NH+]2CCCCCC2)CC1)C(C)C ZINC000726710957 722437265 /nfs/dbraw/zinc/43/72/65/722437265.db2.gz AVBFVGMZIYRKNO-UHFFFAOYSA-N 2 0 352.567 3.014 20 0 FGADRP CC(C)[C@@H](C)[N@@H+]1Cc2cccc(NC(=S)NC3CC[NH+](C)CC3)c2C1 ZINC000727704917 722446897 /nfs/dbraw/zinc/44/68/97/722446897.db2.gz KYSRVLMNNKXUBK-OAHLLOKOSA-N 2 0 360.571 3.427 20 0 FGADRP c1cc(-c2ccn(C[NH+]3CCC(CC[NH+]4CCOCC4)CC3)n2)cs1 ZINC000738111639 722528686 /nfs/dbraw/zinc/52/86/86/722528686.db2.gz OEJQBPAJTRXGIK-UHFFFAOYSA-N 2 0 360.527 3.003 20 0 FGADRP C[N@H+](CC[C@H]1CCCC[NH+]1C)C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000743855305 722571913 /nfs/dbraw/zinc/57/19/13/722571913.db2.gz KCAYHOSZXFBXSY-ZWKOTPCHSA-N 2 0 353.551 3.440 20 0 FGADRP CC(C)[C@H](C[NH2+][C@@H](C)c1cc(Cl)c(N)c(Cl)c1)N1CC[NH+](C)CC1 ZINC000760158579 723040703 /nfs/dbraw/zinc/04/07/03/723040703.db2.gz INVQJLOOULOBCW-GUYCJALGSA-N 2 0 373.372 3.498 20 0 FGADRP CCOC(=O)NC1CCC([NH2+]C2CC[NH+](C3CCCCC3)CC2)CC1 ZINC000790748715 723173022 /nfs/dbraw/zinc/17/30/22/723173022.db2.gz VVEHHGJXECOTTJ-UHFFFAOYSA-N 2 0 351.535 3.430 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@H](O)c2cccc(Cl)c2)[C@@H](C)C1 ZINC000765259994 723499107 /nfs/dbraw/zinc/49/91/07/723499107.db2.gz QDAGHBSLWZCJCA-SNRMKQJTSA-N 2 0 354.922 3.100 20 0 FGADRP CC(C)(C)OC(=O)NCC1CCC([NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000796263048 723629163 /nfs/dbraw/zinc/62/91/63/723629163.db2.gz FLTUHRAIHULEMA-CGZBRXJRSA-N 2 0 351.535 3.144 20 0 FGADRP Cc1nn(-c2ccccn2)c(Cl)c1C[NH2+]C1CCC(C[NH+](C)C)CC1 ZINC000796337565 723633272 /nfs/dbraw/zinc/63/32/72/723633272.db2.gz DXUAQAQLGZZWQS-UHFFFAOYSA-N 2 0 361.921 3.439 20 0 FGADRP C[N@@H+]1CC[C@H]([NH2+]CC2CCN(C(=O)OC(C)(C)C)CC2)[C@H]2CCC[C@H]21 ZINC000796739063 723652813 /nfs/dbraw/zinc/65/28/13/723652813.db2.gz PEOUUDRNYCNZDG-FGTMMUONSA-N 2 0 351.535 3.096 20 0 FGADRP C[N@H+](CC[C@H]1CCCC[NH+]1C)C[C@@]1(C)CCN(C(=O)OC(C)(C)C)C1 ZINC000798944843 723977216 /nfs/dbraw/zinc/97/72/16/723977216.db2.gz DIPOIAZLNICHQQ-YLJYHZDGSA-N 2 0 353.551 3.440 20 0 FGADRP CC(C)[NH+]1CCC([N@H+](C)C[C@]2(C)CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000798942479 723977333 /nfs/dbraw/zinc/97/73/33/723977333.db2.gz LZYDLQHTSJCYLI-FQEVSTJZSA-N 2 0 353.551 3.438 20 0 FGADRP C[NH+](C)CCOc1ccccc1C[NH2+][C@@H]1CC[C@H]2SCCS[C@@H]12 ZINC000775383151 723987466 /nfs/dbraw/zinc/98/74/66/723987466.db2.gz VEXHNVTXQPPSBL-NXHRZFHOSA-N 2 0 352.569 3.096 20 0 FGADRP Cc1sc2nc(C[N@H+]3CCCC4(CC[NH+](C)CC4)C3)nc(N)c2c1C ZINC000799179373 723995375 /nfs/dbraw/zinc/99/53/75/723995375.db2.gz JXCZPQKAZGNFTB-UHFFFAOYSA-N 2 0 359.543 3.198 20 0 FGADRP C[C@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1[NH2+]CCC[NH+]1CCCCC1 ZINC000788503595 725068585 /nfs/dbraw/zinc/06/85/85/725068585.db2.gz DOULCDSKSQZEFY-ROUUACIJSA-N 2 0 353.551 3.488 20 0 FGADRP CC(C)[NH+]1CCC([NH2+][C@H]2CCN(C(=O)OC(C)(C)C)CC[C@H]2C)CC1 ZINC000788651847 725078658 /nfs/dbraw/zinc/07/86/58/725078658.db2.gz NCJGYKNVIFWXCL-AEFFLSMTSA-N 2 0 353.551 3.484 20 0 FGADRP C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000788732131 725084267 /nfs/dbraw/zinc/08/42/67/725084267.db2.gz CWSDRPSEFHIOCY-SJORKVTESA-N 2 0 353.551 3.344 20 0 FGADRP CC(C)(C)OC(=O)NC1CC([NH2+]C2CC[NH+](CC3CCCC3)CC2)C1 ZINC000809611505 725252257 /nfs/dbraw/zinc/25/22/57/725252257.db2.gz FKBCUFZMTSPMAK-UHFFFAOYSA-N 2 0 351.535 3.286 20 0 FGADRP CCC[NH+]1CCC([NH2+][C@@H]2[C@@H](C)CCN(C(=O)OC(C)(C)C)[C@H]2C)CC1 ZINC000809717148 725262106 /nfs/dbraw/zinc/26/21/06/725262106.db2.gz CKMXOCHATAMZGB-XYJFISCASA-N 2 0 353.551 3.484 20 0 FGADRP CC(C)[NH+]1CCC([NH2+][C@H]2[C@H](C)CCN(C(=O)OC(C)(C)C)[C@H]2C)CC1 ZINC000809717487 725262227 /nfs/dbraw/zinc/26/22/27/725262227.db2.gz IRAKOVPRTKOSCC-RYRKJORJSA-N 2 0 353.551 3.483 20 0 FGADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)CC[C@@H]2C)C1 ZINC000812717856 726806290 /nfs/dbraw/zinc/80/62/90/726806290.db2.gz LVIPJMJRTLYSHG-RCCFBDPRSA-N 2 0 353.551 3.344 20 0 FGADRP C[C@@H]([NH2+]C1CCC([NH+](C)C)CC1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000817585223 727268199 /nfs/dbraw/zinc/26/81/99/727268199.db2.gz CSPZGSNDYLGTOD-LRVUVFPRSA-N 2 0 360.470 3.206 20 0 FGADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C[C@@H](O)c1cccc(Br)c1 ZINC000817930139 727288067 /nfs/dbraw/zinc/28/80/67/727288067.db2.gz XYNQXEQLSDGGHK-KBRIMQKVSA-N 2 0 355.320 3.383 20 0 FGADRP C[NH+](C)CCOc1ccc(C[NH2+]C[C@@H](O)c2ccc(F)cc2Cl)cc1 ZINC000819011484 727337723 /nfs/dbraw/zinc/33/77/23/727337723.db2.gz QWMWPQLVKKRIEL-LJQANCHMSA-N 2 0 366.864 3.243 20 0 FGADRP CCCC[NH+]1CCC([NH2+]C[C@@H](O)c2ccccc2Br)CC1 ZINC000819042149 727341234 /nfs/dbraw/zinc/34/12/34/727341234.db2.gz GGHSQBZNRZRMOL-QGZVFWFLSA-N 2 0 355.320 3.337 20 0 FGADRP C[C@@H](CC[NH+](C)C)[NH2+]C[C@@](C)(O)c1ccc(Br)cc1Cl ZINC000819061128 727343343 /nfs/dbraw/zinc/34/33/43/727343343.db2.gz SGCBXZNPXISWLY-XHDPSFHLSA-N 2 0 363.727 3.240 20 0 FGADRP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]C[C@@H](O)COc2ccc(Cl)c(Cl)c2)C1 ZINC000819133368 727351097 /nfs/dbraw/zinc/35/10/97/727351097.db2.gz OWTYGIPPRQHRKG-MGPQQGTHSA-N 2 0 361.313 3.196 20 0 FGADRP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+]C[C@@H](O)c2cccc(Br)c2)C1 ZINC000819183170 727355372 /nfs/dbraw/zinc/35/53/72/727355372.db2.gz UMLISUFMPWNKEB-MAUKXSAKSA-N 2 0 369.347 3.440 20 0 FGADRP CCC[NH+]1CCN(c2ccc(NC(=O)CCCCC[NH3+])cc2Cl)CC1 ZINC000827619026 729432462 /nfs/dbraw/zinc/43/24/62/729432462.db2.gz VOHBXFUSBRRILA-UHFFFAOYSA-N 2 0 366.937 3.330 20 0 FGADRP CC1(C)[C@@H](O)CC[NH+]1Cc1cc(Cl)cc(C[N@H+]2CC[C@H](O)C2(C)C)c1 ZINC000829973738 729526894 /nfs/dbraw/zinc/52/68/94/729526894.db2.gz KJTLKZSUHGFASP-ROUUACIJSA-N 2 0 366.933 3.030 20 0 FGADRP C[N@@H+]1CC[C@]2(CC[NH+](CCCCCCCNC(=O)OC(C)(C)C)C2)C1 ZINC000830008493 729529584 /nfs/dbraw/zinc/52/95/84/729529584.db2.gz CTOYHTXGGSHHGZ-FQEVSTJZSA-N 2 0 353.551 3.489 20 0 FGADRP [NH3+]CCCCCCNC(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000831100489 729617732 /nfs/dbraw/zinc/61/77/32/729617732.db2.gz WYKNEDPLHJIMIS-SFHVURJKSA-N 2 0 366.937 3.295 20 0 FGADRP Cc1cc([C@@H]([NH3+])CC(=O)NCCC[N@@H+](C)C2CCCCC2)cc(Cl)n1 ZINC000831822819 729670093 /nfs/dbraw/zinc/67/00/93/729670093.db2.gz OYXVWGAHPMPXHS-KRWDZBQOSA-N 2 0 366.937 3.204 20 0 FGADRP CC[C@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000834508752 729808566 /nfs/dbraw/zinc/80/85/66/729808566.db2.gz QGJVHUTVIFZPAZ-NJAFHUGGSA-N 2 0 351.535 3.238 20 0 FGADRP CC[C@@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000834508748 729808628 /nfs/dbraw/zinc/80/86/28/729808628.db2.gz QGJVHUTVIFZPAZ-JQHSSLGASA-N 2 0 351.535 3.238 20 0 FGADRP C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000834893075 729844425 /nfs/dbraw/zinc/84/44/25/729844425.db2.gz NSNDMAIEOHKTNC-AJYUKVHDSA-N 2 0 351.535 3.237 20 0 FGADRP Cc1nn(Cc2ccc(C)cc2)c(Cl)c1C[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000841079280 730208283 /nfs/dbraw/zinc/20/82/83/730208283.db2.gz KUNGYOUVNUBCLE-SFHVURJKSA-N 2 0 358.917 3.433 20 0 FGADRP C[C@H](NC(=O)C[N@H+](C)C1CCC([NH3+])CC1)c1ccc(Cl)c(Cl)c1 ZINC000843353590 730609966 /nfs/dbraw/zinc/60/99/66/730609966.db2.gz CPUMGQWWMRIEAA-XGNXJENSSA-N 2 0 358.313 3.372 20 0 FGADRP O=C(C[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)Nc1ccccc1SC(F)F ZINC000843388445 730612584 /nfs/dbraw/zinc/61/25/84/730612584.db2.gz NUQFUMDWGKLYCL-UONOGXRCSA-N 2 0 369.481 3.261 20 0 FGADRP C[N@@H+]1CCC[C@]2(CC[NH+](CCCCCCNC(=O)OC(C)(C)C)C2)C1 ZINC000844331815 730704467 /nfs/dbraw/zinc/70/44/67/730704467.db2.gz MBVGNTKYYKIWEJ-FQEVSTJZSA-N 2 0 353.551 3.489 20 0 FGADRP CC(C)C[N@@H+]1CC[C@H](CNC(=[NH2+])NCc2cccc(C(F)(F)F)c2)C1 ZINC000849087452 731227423 /nfs/dbraw/zinc/22/74/23/731227423.db2.gz NKTIQQRZOYGVTR-OAHLLOKOSA-N 2 0 356.436 3.297 20 0 FGADRP C[C@@H](CNC(=[NH2+])NCc1cccc(C(F)(F)F)c1)C[NH+]1CCCCC1 ZINC000849091330 731228229 /nfs/dbraw/zinc/22/82/29/731228229.db2.gz VRRCPCDMVFBPBL-AWEZNQCLSA-N 2 0 356.436 3.441 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])N[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000849105839 731230055 /nfs/dbraw/zinc/23/00/55/731230055.db2.gz FFAGTPHNAQEIOT-DVOMOZLQSA-N 2 0 355.313 3.448 20 0 FGADRP CCc1nn(C)c(Cl)c1C[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000850362933 731348631 /nfs/dbraw/zinc/34/86/31/731348631.db2.gz VUAJLQGXVLQFSN-UHFFFAOYSA-N 2 0 361.921 3.033 20 0 FGADRP CCOC(=O)NC1CCC([NH2+]CCCC[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000850425564 731355921 /nfs/dbraw/zinc/35/59/21/731355921.db2.gz UQDKJDZIDVOLBK-YYZRRKBYSA-N 2 0 353.551 3.391 20 0 FGADRP O[C@H]1CC[N@H+](Cc2ccc(C[NH2+][C@H]3CCc4nc(Cl)ccc43)cc2)C1 ZINC000850508767 731366505 /nfs/dbraw/zinc/36/65/05/731366505.db2.gz OATWJNNVTOKXMM-WMZOPIPTSA-N 2 0 357.885 3.079 20 0 FGADRP CC(C)[C@@H](CC[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21)NC(=O)OC(C)(C)C ZINC000850566709 731374231 /nfs/dbraw/zinc/37/42/31/731374231.db2.gz QRFGFVQATXCHQE-BSDSXHPESA-N 2 0 353.551 3.388 20 0 FGADRP CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000850582770 731376203 /nfs/dbraw/zinc/37/62/03/731376203.db2.gz LEAQZACCSMUJPT-ZWKOTPCHSA-N 2 0 351.535 3.144 20 0 FGADRP CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000850582769 731376228 /nfs/dbraw/zinc/37/62/28/731376228.db2.gz LEAQZACCSMUJPT-ROUUACIJSA-N 2 0 351.535 3.144 20 0 FGADRP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)C23CCC3)CC1(C)C ZINC000858228236 732194400 /nfs/dbraw/zinc/19/44/00/732194400.db2.gz FHCQHMACKOQHCE-JKSUJKDBSA-N 2 0 351.535 3.381 20 0 FGADRP C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)CN1C(=O)OC(C)(C)C ZINC000858532296 732224754 /nfs/dbraw/zinc/22/47/54/732224754.db2.gz LZXNBDHODGPBKT-ICUGJSFKSA-N 2 0 351.535 3.237 20 0 FGADRP COC[C@]1(C)CC[N@H+](CC[Si](C)(C)CC[NH+]2CC[C@](C)(COC)C2)C1 ZINC000859321288 732309990 /nfs/dbraw/zinc/30/99/90/732309990.db2.gz BDCGCYZDFKIDLX-BGYRXZFFSA-N 2 0 370.654 3.412 20 0 FGADRP Cc1c(Cl)cccc1C[NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000865446499 733202999 /nfs/dbraw/zinc/20/29/99/733202999.db2.gz VLQRIAHEOFSASA-UHFFFAOYSA-N 2 0 359.901 3.230 20 0 FGADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNCc1ncc(CN(C)C)s1 ZINC000865659616 733247784 /nfs/dbraw/zinc/24/77/84/733247784.db2.gz DLMHAROIUANOQN-FUHWJXTLSA-N 2 0 358.555 3.062 20 0 FGADRP CC(C)(C)OC(=O)N[C@H]1CC[C@H]([NH2+]C2CC[NH+](CC3CC3)CC2)CC1 ZINC000866466836 733353527 /nfs/dbraw/zinc/35/35/27/733353527.db2.gz MDCXQMMOVKFAIY-QAQDUYKDSA-N 2 0 351.535 3.286 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)NC1CCC(C)([NH+](C)C)CC1 ZINC000868103236 733556563 /nfs/dbraw/zinc/55/65/63/733556563.db2.gz QCQAHUMUAJIUFZ-PGYGNJIDSA-N 2 0 352.567 3.203 20 0 FGADRP CC(C)c1ccc(C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)cc1Cl ZINC000870020011 733802006 /nfs/dbraw/zinc/80/20/06/733802006.db2.gz YVGNXTKYFWLHSR-IAGOWNOFSA-N 2 0 365.949 3.275 20 0 FGADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H](c2cccc(Br)c2)[C@@H]2CCOC2)C1 ZINC000872025761 735577884 /nfs/dbraw/zinc/57/78/84/735577884.db2.gz SPABTKCTRWWJGC-QGPMSJSTSA-N 2 0 367.331 3.458 20 0 FGADRP C[NH+]1CCC(C[NH2+][C@H](c2cccc(Br)c2)[C@@H]2CCOC2)CC1 ZINC000872034761 735579452 /nfs/dbraw/zinc/57/94/52/735579452.db2.gz RBPDWXXJHDHUIC-SJLPKXTDSA-N 2 0 367.331 3.458 20 0 FGADRP CCOc1c(Br)cc(C[NH2+][C@@H](C)C2CC[NH2+]CC2)cc1OC ZINC000873222427 735739716 /nfs/dbraw/zinc/73/97/16/735739716.db2.gz RVHUXWIOVSPFTI-LBPRGKRZSA-N 2 0 371.319 3.334 20 0 FGADRP COC[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)c1cccc(Br)c1 ZINC000873222803 735739786 /nfs/dbraw/zinc/73/97/86/735739786.db2.gz GDBCPEXGBXZKEH-ABFRBSLYSA-N 2 0 353.304 3.114 20 0 FGADRP CCOC(=O)C1([C@H](C)[NH2+]CC(CC)(CC)C(F)(F)F)CC[NH2+]CC1 ZINC000873251702 735744002 /nfs/dbraw/zinc/74/40/02/735744002.db2.gz XCLUGRIAMCJEBC-ZDUSSCGKSA-N 2 0 352.441 3.266 20 0 FGADRP C[C@@H]([NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2)c1ccccc1Br ZINC000873289498 735746558 /nfs/dbraw/zinc/74/65/58/735746558.db2.gz ISSKEESKRHVWNB-ZIAGYGMSSA-N 2 0 353.304 3.258 20 0 FGADRP CC[C@@H]([NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2)c1ccccc1OC(F)F ZINC000873291541 735747132 /nfs/dbraw/zinc/74/71/32/735747132.db2.gz XAFDBSIHYWLTAG-GOEBONIOSA-N 2 0 354.441 3.487 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NCCC2CC[NH+](C(C)C)CC2)C[C@H]1C ZINC000876029288 736050153 /nfs/dbraw/zinc/05/01/53/736050153.db2.gz BZZBULRDEVTYGK-MJGOQNOKSA-N 2 0 352.567 3.011 20 0 FGADRP C[NH+](C)[C@H](CNC(=O)[C@@H]([NH3+])c1cccc(C(F)(F)F)c1)c1cccs1 ZINC000876711010 736135039 /nfs/dbraw/zinc/13/50/39/736135039.db2.gz RQKZGOHTUKKEPF-HIFRSBDPSA-N 2 0 371.428 3.186 20 0 FGADRP C[NH+]1CCN(C(C)(C)C[NH2+]Cc2cc3nc(Cl)ccc3s2)CC1 ZINC000876924389 736163170 /nfs/dbraw/zinc/16/31/70/736163170.db2.gz QSJQWUWAIKKACX-UHFFFAOYSA-N 2 0 352.935 3.065 20 0 FGADRP CC[NH+]1CCN([C@@H](C)C[NH2+]Cc2cc3nc(Cl)ccc3s2)CC1 ZINC000876930595 736163919 /nfs/dbraw/zinc/16/39/19/736163919.db2.gz BLQIVMLDNDAWNV-ZDUSSCGKSA-N 2 0 352.935 3.065 20 0 FGADRP C[NH+](C)C[C@H](NC(=O)C=C1CC[NH2+]CC1)c1ccc(Cl)c(Cl)c1 ZINC000877053410 736181321 /nfs/dbraw/zinc/18/13/21/736181321.db2.gz MDLHHGBHYQXDLX-INIZCTEOSA-N 2 0 356.297 3.022 20 0 FGADRP CC(C)(C)O[C@@H]1C[C@H]([NH2+]C2CC[NH+]([C@H]3CCC[C@H]3O)CC2)C12CCC2 ZINC000877090643 736186644 /nfs/dbraw/zinc/18/66/44/736186644.db2.gz WTHYUNWWMVJWTI-ZSYWTGECSA-N 2 0 350.547 3.080 20 0 FGADRP Nc1c(Cl)cccc1C[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000877190431 736196487 /nfs/dbraw/zinc/19/64/87/736196487.db2.gz FISZERZLTIYBNU-GOSISDBHSA-N 2 0 359.901 3.169 20 0 FGADRP C[NH+](C)C[C@@H]1CN(c2cc3ccc(F)cc3c(Cl)n2)C[C@H]1C[NH+](C)C ZINC000884569043 737678054 /nfs/dbraw/zinc/67/80/54/737678054.db2.gz BFAMEBYTFXYNTG-HUUCEWRRSA-N 2 0 364.896 3.203 20 0 FGADRP CC[C@H]([NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2)[C@H](O)C(F)(F)F ZINC000886558491 739267245 /nfs/dbraw/zinc/26/72/45/739267245.db2.gz LSLXKAPROGDECX-ATIWLJMLSA-N 2 0 356.432 3.331 20 0 FGADRP C(CC[NH+]1CC[C@H]([C@@H]2CCCO2)C1)CC[N@@H+]1CC[C@H]([C@@H]2CCCO2)C1 ZINC000886821424 739306100 /nfs/dbraw/zinc/30/61/00/739306100.db2.gz BXNWIMKDBQGJDK-TUFLPTIASA-N 2 0 350.547 3.159 20 0 FGADRP C[NH+]1CCC(C[N@H+](C2CC2)C2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000891629150 739922272 /nfs/dbraw/zinc/92/22/72/739922272.db2.gz BTFSLJCYKMBWBB-UHFFFAOYSA-N 2 0 351.535 3.192 20 0 FGADRP C[C@@H]([NH3+])c1ccc(CNC(=O)N(CC[NH3+])Cc2cccc(Cl)c2)cc1 ZINC000892045621 739960795 /nfs/dbraw/zinc/96/07/95/739960795.db2.gz UKAHRRKKZCYSHX-CQSZACIVSA-N 2 0 360.889 3.030 20 0 FGADRP F[C@H]1CC2(CC[C@@H]1[NH+]1CCC(CCC[NH+]3CCCC3)CC1)OCCO2 ZINC000892144338 739969760 /nfs/dbraw/zinc/96/97/60/739969760.db2.gz NGOAGTHJLYJWJT-OALUTQOASA-N 2 0 354.510 3.208 20 0 FGADRP CC[NH+](CC)Cc1ccccc1C[NH2+][C@H]1CCC2(C[C@H]1F)OCCO2 ZINC000892465740 740003630 /nfs/dbraw/zinc/00/36/30/740003630.db2.gz GJYCVJFVUDJWTN-MOPGFXCFSA-N 2 0 350.478 3.252 20 0 FGADRP CC[NH+](CC)CCOc1ccc(C[NH2+]Cc2cn3ccnc3s2)cc1 ZINC000892595957 740021291 /nfs/dbraw/zinc/02/12/91/740021291.db2.gz CBEHRXPFCLBZEE-UHFFFAOYSA-N 2 0 358.511 3.406 20 0 FGADRP C[NH+](C)CCOc1ccc(CC[NH2+]Cc2csc(C(F)(F)F)n2)cc1 ZINC000892913883 740057455 /nfs/dbraw/zinc/05/74/55/740057455.db2.gz JSZWVPRURPNYMM-UHFFFAOYSA-N 2 0 373.444 3.435 20 0 FGADRP CC(=O)Nc1cc(Br)ccc1C[NH2+]C1CCC([NH+](C)C)CC1 ZINC000894979762 742359871 /nfs/dbraw/zinc/35/98/71/742359871.db2.gz ZYNSEBUVIKAWDO-UHFFFAOYSA-N 2 0 368.319 3.370 20 0 FGADRP Clc1ccccc1C[NH+]1CCC(C[NH2+][C@H]2CCO[C@]23CCOC3)CC1 ZINC000903091871 743804026 /nfs/dbraw/zinc/80/40/26/743804026.db2.gz BRQHJJWIYSYPHK-PMACEKPBSA-N 2 0 364.917 3.090 20 0 FGADRP Brc1ccc([C@@H]2CCC[N@@H+]2C[C@H]2C[C@]3(CC[NH2+]C3)CO2)s1 ZINC000903758770 743880931 /nfs/dbraw/zinc/88/09/31/743880931.db2.gz MHXGEYVGMWNPNC-WWGRRREGSA-N 2 0 371.344 3.416 20 0 FGADRP Clc1ccccc1OC1CC[NH+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000903752625 743881073 /nfs/dbraw/zinc/88/10/73/743881073.db2.gz ORMTWCQIEHWZPQ-KRWDZBQOSA-N 2 0 364.917 3.342 20 0 FGADRP Clc1cccc(C2([NH2+]Cc3cnnn3[C@@H]3CCC[NH2+]C3)CCCC2)c1 ZINC000903903829 743894829 /nfs/dbraw/zinc/89/48/29/743894829.db2.gz XAJYSQIVLNCTMM-QGZVFWFLSA-N 2 0 359.905 3.415 20 0 FGADRP O[C@H](c1cc(F)ccc1F)C1CC[NH+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000903930133 743900397 /nfs/dbraw/zinc/90/03/97/743900397.db2.gz STJLEEZNILNYJC-OUQPWMGESA-N 2 0 350.453 3.241 20 0 FGADRP [NH3+][C@H]1C[C@@H](C[N@H+](Cc2cccc(Br)c2)C2CCOCC2)C1 ZINC000904341998 743948424 /nfs/dbraw/zinc/94/84/24/743948424.db2.gz UALFAYCCLVMIRL-FZNQNYSPSA-N 2 0 353.304 3.167 20 0 FGADRP C[N@@H+]1CCC[C@H](CNC(=O)Nc2ccccc2C[NH3+])[C@H]1c1cccs1 ZINC000904655137 743966507 /nfs/dbraw/zinc/96/65/07/743966507.db2.gz QEXSQKGUOHHMRV-QAPCUYQASA-N 2 0 358.511 3.411 20 0 FGADRP C[NH+](C)[C@H](CNC(=O)NC1CCC(C)([NH+]2CCC2)CC1)c1cccs1 ZINC000913874248 757616446 /nfs/dbraw/zinc/61/64/46/757616446.db2.gz DTGWUNXQVWXWIY-KOHRHEQBSA-N 2 0 364.559 3.057 20 0 FGADRP CC[NH2+]CC1CC[NH+](C[C@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000923294127 759097041 /nfs/dbraw/zinc/09/70/41/759097041.db2.gz CHGLUDOJZIDOJX-AWEZNQCLSA-N 2 0 361.313 3.055 20 0 FGADRP Cc1nc(C[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)sc1C(C)(C)C ZINC000923411850 759114174 /nfs/dbraw/zinc/11/41/74/759114174.db2.gz UMPZGXFGGIXYRP-MRXNPFEDSA-N 2 0 351.560 3.340 20 0 FGADRP [NH3+]C[C@H]1CC2(CO1)CC[NH+](Cc1csc(-c3ccccc3F)n1)CC2 ZINC000923450410 759120409 /nfs/dbraw/zinc/12/04/09/759120409.db2.gz HDCLKEGLCOUSFY-OAHLLOKOSA-N 2 0 361.486 3.279 20 0 FGADRP COC(=O)c1ccc(-c2nc(C[N@@H+]3CC[C@H](C[NH3+])[C@H](C)C3)cs2)cc1 ZINC000923499023 759132367 /nfs/dbraw/zinc/13/23/67/759132367.db2.gz QELHUEXAJCSHBJ-CZUORRHYSA-N 2 0 359.495 3.013 20 0 FGADRP C[C@@H]1C[N@H+](CC(=O)Nc2ccc(Cl)cc2C(F)(F)F)CC[C@@H]1C[NH3+] ZINC000923506428 759135217 /nfs/dbraw/zinc/13/52/17/759135217.db2.gz FMVLGJWSQDBIGT-GHMZBOCLSA-N 2 0 363.811 3.214 20 0 FGADRP C[C@H]1C[N@H+](CC(=O)Nc2ccc(Cl)cc2C(F)(F)F)CC[C@H]1C[NH3+] ZINC000923506434 759135534 /nfs/dbraw/zinc/13/55/34/759135534.db2.gz FMVLGJWSQDBIGT-QWRGUYRKSA-N 2 0 363.811 3.214 20 0 FGADRP CC(C)(C)OC(=O)NC[C@@H]1CC[C@H]([NH2+]C2CC[NH+](C3CCC3)CC2)C1 ZINC000924841759 759402399 /nfs/dbraw/zinc/40/23/99/759402399.db2.gz DEBCOYOGBVLKGT-WBVHZDCISA-N 2 0 351.535 3.286 20 0 FGADRP CCS(=O)(=O)c1cc(Cl)cc(C[NH2+][C@H]2C[C@H]([NH3+])CC(C)(C)C2)c1 ZINC000925684871 759523411 /nfs/dbraw/zinc/52/34/11/759523411.db2.gz DLZCLMJHJBEKIX-GJZGRUSLSA-N 2 0 358.935 3.129 20 0 FGADRP C[C@@H]1C[C@H]([NH2+]CCN2CCC([NH3+])CC2)c2cccc(Br)c21 ZINC000925812194 759549451 /nfs/dbraw/zinc/54/94/51/759549451.db2.gz VJUPZGUJZGMHJI-WBMJQRKESA-N 2 0 352.320 3.010 20 0 FGADRP C[C@@H]([NH2+]CCCCCN1CC[NH2+]CC1)[C@@H](C)c1nc2ccccc2s1 ZINC000925842584 759556449 /nfs/dbraw/zinc/55/64/49/759556449.db2.gz AYIDTUUEMLMPPZ-IAGOWNOFSA-N 2 0 360.571 3.453 20 0 FGADRP C[C@@H]([NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1cc(Cl)cc(Cl)c1 ZINC000925850616 759558060 /nfs/dbraw/zinc/55/80/60/759558060.db2.gz KLZIKMIUPDWMKI-IAQYHMDHSA-N 2 0 357.281 3.329 20 0 FGADRP CCC[C@@H]([NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ccc(Cl)cc1 ZINC000925850387 759558294 /nfs/dbraw/zinc/55/82/94/759558294.db2.gz ADMVWGPXFDKTJE-IAGOWNOFSA-N 2 0 350.890 3.456 20 0 FGADRP C[C@H]([NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1cc(Cl)cc(Cl)c1 ZINC000925850618 759558354 /nfs/dbraw/zinc/55/83/54/759558354.db2.gz KLZIKMIUPDWMKI-NHYWBVRUSA-N 2 0 357.281 3.329 20 0 FGADRP C[C@H]([NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1cc(Cl)ccc1Cl ZINC000925854405 759559396 /nfs/dbraw/zinc/55/93/96/759559396.db2.gz LTBXJAGKHUMHHC-WCQYABFASA-N 2 0 357.281 3.329 20 0 FGADRP C[C@H]([NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1cccc(Cl)c1Cl ZINC000925855997 759560504 /nfs/dbraw/zinc/56/05/04/759560504.db2.gz RCGFLSBMWCLALU-NWDGAFQWSA-N 2 0 357.281 3.329 20 0 FGADRP C[C@H]([NH2+]CC1CC[NH+](Cc2ccncc2)CC1)C1(Br)CC1 ZINC000926693303 759804329 /nfs/dbraw/zinc/80/43/29/759804329.db2.gz MCUJXUZKGYIKJJ-AWEZNQCLSA-N 2 0 352.320 3.199 20 0 FGADRP C[C@@H]([NH2+]C1CCC(C)([NH+]2CCC2)CC1)c1cccc(NS(C)(=O)=O)c1 ZINC000927039956 759881340 /nfs/dbraw/zinc/88/13/40/759881340.db2.gz YRCNDJFUAXZAOO-LSJNQWAISA-N 2 0 365.543 3.116 20 0 FGADRP C[C@@H]1[C@H](C(=O)N2C[C@@H]([NH2+]Cc3ccccc3Cl)C(C)(C)C2)CC[N@@H+]1C ZINC000995828606 764970750 /nfs/dbraw/zinc/97/07/50/764970750.db2.gz ZPQIBRIKJBGHLA-QGPMSJSTSA-N 2 0 363.933 3.007 20 0 FGADRP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)C2CC[NH+](Cc3ccsc3)CC2)CC[N@@H+]1C ZINC000997597347 765069481 /nfs/dbraw/zinc/06/94/81/765069481.db2.gz SPILSVIHQOWQJN-ZYSHUDEJSA-N 2 0 363.571 3.195 20 0 FGADRP CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@@H]1CCC[N@H+](CCC(C)(C)C)CC1 ZINC000998015007 765091445 /nfs/dbraw/zinc/09/14/45/765091445.db2.gz BJIWQTDYVBOJLA-GUDVDZBRSA-N 2 0 351.579 3.466 20 0 FGADRP Cc1cc(Cl)ccc1C[NH2+]C1CC(N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000998795550 765125407 /nfs/dbraw/zinc/12/54/07/765125407.db2.gz IKCUBPPTGVUGLQ-YOODTLSXSA-N 2 0 363.933 3.068 20 0 FGADRP C[C@@H]1[C@H](C(=O)N2CC[C@H]([NH2+]Cc3cc(Cl)cc(Cl)c3)C2)CC[N@@H+]1C ZINC001018867133 765847344 /nfs/dbraw/zinc/84/73/44/765847344.db2.gz IAZXFWXKZRYCDH-OAUYIBNBSA-N 2 0 370.324 3.024 20 0 FGADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3c(C)cccc3Cl)C2)CC[N@@H+]1C ZINC001020174819 765867085 /nfs/dbraw/zinc/86/70/85/765867085.db2.gz SIIVUJINPWDHDS-IUVQAAGXSA-N 2 0 363.933 3.116 20 0 FGADRP CC[C@@H]1[C@@H](C(=O)N2CCCC[C@@H]2C[NH2+]Cc2csc(C)c2)CC[N@@H+]1C ZINC001024967711 766064703 /nfs/dbraw/zinc/06/47/03/766064703.db2.gz FKKPZUNEYOBMJO-CEXWTWQISA-N 2 0 363.571 3.258 20 0 FGADRP C[C@@H]1[C@H](C(=O)N2CCC[C@H]([NH+](C)Cc3ccc(Cl)s3)C2)CC[N@@H+]1C ZINC001027417432 766093279 /nfs/dbraw/zinc/09/32/79/766093279.db2.gz YEFVEWLTLQSSOR-IJEWVQPXSA-N 2 0 369.962 3.165 20 0 FGADRP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CC[NH+](Cc3cc(C)sc3C)C2)CC[N@@H+]1C ZINC001028553949 766124721 /nfs/dbraw/zinc/12/47/21/766124721.db2.gz RXVHENWRJXNYBA-NZSAHSFTSA-N 2 0 363.571 3.033 20 0 FGADRP Cc1cc(C[NH+](C)CC2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)cs1 ZINC001029966579 766159453 /nfs/dbraw/zinc/15/94/53/766159453.db2.gz ZMDMAWGYTXKTFT-VQIMIIECSA-N 2 0 363.571 3.067 20 0 FGADRP Cc1cc(Cl)ccc1C[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001033095239 766206088 /nfs/dbraw/zinc/20/60/88/766206088.db2.gz VBIJWIZWGYOKAM-ATZDWAIDSA-N 2 0 363.933 3.021 20 0 FGADRP Cc1cccc(Cl)c1C[NH+]1CC[C@@](C)(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001046329803 766584333 /nfs/dbraw/zinc/58/43/33/766584333.db2.gz RZCSLKPIEROARP-JXXFODFXSA-N 2 0 363.933 3.069 20 0 FGADRP c1ccc(C[N@@H+]2CCCO[C@H](CN3CCC[C@H]3C[NH+]3CCCCC3)C2)cc1 ZINC000278565909 257374825 /nfs/dbraw/zinc/37/48/25/257374825.db2.gz IUSSTQNWTAPHLS-GOTSBHOMSA-N 2 0 371.569 3.228 20 0 FGADRP C[C@@H](CCc1ccc(I)cc1)[NH2+][C@H]1CCC[NH2+]CC1 ZINC000423093114 500340901 /nfs/dbraw/zinc/34/09/01/500340901.db2.gz FUZZLIKQSNCNOC-BBRMVZONSA-N 2 0 372.294 3.344 20 0 FGADRP CC(C)[C@@H]([NH3+])C[NH2+][C@H](C)CCc1ccc(I)cc1 ZINC000423272593 500360321 /nfs/dbraw/zinc/36/03/21/500360321.db2.gz JWJQFWQFEALQIW-DOMZBBRYSA-N 2 0 360.283 3.185 20 0 FGADRP COc1cccc([C@@H](C)[NH+]2CCN(C[C@H](C[NH3+])c3ccc(F)cc3)CC2)c1 ZINC000579598249 505583808 /nfs/dbraw/zinc/58/38/08/505583808.db2.gz WNMJQLRSXVXASK-XLIONFOSSA-N 2 0 371.500 3.255 20 0 FGADRP Cc1ccc([C@@H]([NH3+])C(=O)N2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)cc1 ZINC000567980514 505589029 /nfs/dbraw/zinc/58/90/29/505589029.db2.gz CKUVCUHCFHQCCN-WIYYLYMNSA-N 2 0 357.542 3.498 20 0 FGADRP [NH3+][C@H]1CCC[C@@H]([NH2+]C2CCN(Cc3coc(-c4ccccc4)n3)CC2)C1 ZINC000570867313 505599017 /nfs/dbraw/zinc/59/90/17/505599017.db2.gz QURDMYRZGQRZEJ-PKOBYXMFSA-N 2 0 354.498 3.166 20 0 FGADRP C[C@H](CC[NH2+][C@@H]1CCCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21)[S@@](C)=O ZINC000568076884 505610424 /nfs/dbraw/zinc/61/04/24/505610424.db2.gz DGXGQLRDOBUUNE-ONDKGVJBSA-N 2 0 362.583 3.424 20 0 FGADRP [NH3+]CCC1CCN(C(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)CC1 ZINC000576880482 505615434 /nfs/dbraw/zinc/61/54/34/505615434.db2.gz PVWNENYCXVZUGU-UHFFFAOYSA-N 2 0 372.557 3.333 20 0 FGADRP Cc1ncncc1[C@H](C)[NH2+]Cc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000576957945 505634030 /nfs/dbraw/zinc/63/40/30/505634030.db2.gz UAMFLDXSADWTKI-BBWFWOEESA-N 2 0 354.498 3.245 20 0 FGADRP Cc1ncncc1[C@H](C)[NH2+]Cc1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000576957954 505634257 /nfs/dbraw/zinc/63/42/57/505634257.db2.gz UAMFLDXSADWTKI-ULQDDVLXSA-N 2 0 354.498 3.245 20 0 FGADRP C[C@@H]([NH2+]Cc1ccncc1OCC[NH+](C)C)c1ccc(-n2ccnc2)cc1 ZINC000568320704 505666095 /nfs/dbraw/zinc/66/60/95/505666095.db2.gz ITNOYCWRQVMGSF-QGZVFWFLSA-N 2 0 365.481 3.059 20 0 FGADRP C[C@@H](NC(=O)NCc1ccccc1C[NH+]1CCCCCC1)[C@@H]1CCC[NH2+]C1 ZINC000577164713 505678518 /nfs/dbraw/zinc/67/85/18/505678518.db2.gz XIIYCYCKQFWKPM-RTBURBONSA-N 2 0 372.557 3.250 20 0 FGADRP C[C@H](OC[C@H](O)C[NH2+]C1CCC([NH+](C)C)CC1)c1ccc(Cl)cc1 ZINC000574033085 505677769 /nfs/dbraw/zinc/67/77/69/505677769.db2.gz GHTZCVRDKJNBFF-VKDMSYRKSA-N 2 0 354.922 3.241 20 0 FGADRP O=C(NCC[NH+]1CCCC1)c1ccc(C[NH2+]Cc2cccc(Cl)c2)cc1 ZINC000076331187 493866775 /nfs/dbraw/zinc/86/67/75/493866775.db2.gz QFCFAHXZOKBSCC-UHFFFAOYSA-N 2 0 371.912 3.455 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)C1CC[NH+](Cc2cccnc2)CC1)CC(C)C ZINC000081395669 493886558 /nfs/dbraw/zinc/88/65/58/493886558.db2.gz QSUVUDAJMBYKFQ-OAQYLSRUSA-N 2 0 374.573 3.166 20 0 FGADRP C[NH+](C)[C@H](CNC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1cccs1 ZINC000050024742 493892272 /nfs/dbraw/zinc/89/22/72/493892272.db2.gz OLHHYIKIGXDILU-RBUKOAKNSA-N 2 0 371.550 3.379 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H]1COc2ccccc2O1 ZINC000568427420 505691580 /nfs/dbraw/zinc/69/15/80/505691580.db2.gz UUMVEMVBBVPROP-HOJAQTOUSA-N 2 0 352.478 3.327 20 0 FGADRP CC(C)Oc1ccccc1C[NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000076893871 493985441 /nfs/dbraw/zinc/98/54/41/493985441.db2.gz GCGFQNUAVKMYLV-UHFFFAOYSA-N 2 0 369.509 3.055 20 0 FGADRP C[C@H](CNC(=O)NC1CC[NH+](Cc2ccccc2)CC1)[NH+]1CCC(C)CC1 ZINC000062428511 494012888 /nfs/dbraw/zinc/01/28/88/494012888.db2.gz PYBDBPUYWWEUQR-LJQANCHMSA-N 2 0 372.557 3.071 20 0 FGADRP Cc1ncc(C[NH2+]CCCC[NH+]2C[C@@H](C)O[C@H](C)C2)n1-c1ccccc1 ZINC000084018240 494043954 /nfs/dbraw/zinc/04/39/54/494043954.db2.gz PMNHCRPJSQSLNW-QZTJIDSGSA-N 2 0 356.514 3.160 20 0 FGADRP C[C@@H](C(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1)[NH+]1CCCCCC1 ZINC000084365118 494066399 /nfs/dbraw/zinc/06/63/99/494066399.db2.gz RJNPRJQMKQRABB-IBGZPJMESA-N 2 0 357.542 3.374 20 0 FGADRP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@H+]3CCC[C@H]3C(C)C)CC2)cc1 ZINC000063619155 494071073 /nfs/dbraw/zinc/07/10/73/494071073.db2.gz QTVXPMVXSCLURZ-NRFANRHFSA-N 2 0 357.542 3.150 20 0 FGADRP CCCC[NH+]1CCC(NC(=O)N(CC[NH+](C)C)Cc2cccs2)CC1 ZINC000084435546 494072390 /nfs/dbraw/zinc/07/23/90/494072390.db2.gz GYBNPRLXXOSXLM-UHFFFAOYSA-N 2 0 366.575 3.086 20 0 FGADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000063710810 494078240 /nfs/dbraw/zinc/07/82/40/494078240.db2.gz ZCIYRSPTBBCSEO-HXUWFJFHSA-N 2 0 357.542 3.135 20 0 FGADRP CC(C)(C)[N@@H+]1CCCN(C(=O)[C@H]2CCC[NH+](Cc3ccccc3)C2)CC1 ZINC000064057466 494104067 /nfs/dbraw/zinc/10/40/67/494104067.db2.gz XMJMGTBFWNCUQH-FQEVSTJZSA-N 2 0 357.542 3.231 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)N1CC[NH+](C2CCCC2)CC1)CC(C)C ZINC000071925741 494108550 /nfs/dbraw/zinc/10/85/50/494108550.db2.gz AXMCKBQRVLKHQG-LJQANCHMSA-N 2 0 352.567 3.013 20 0 FGADRP C[C@H](NC(=O)NC[C@H](c1cccs1)[NH+]1CCCC1)C(C)(C)C[NH+](C)C ZINC000085387480 494118739 /nfs/dbraw/zinc/11/87/39/494118739.db2.gz STEPAXXIZWRKPP-JKSUJKDBSA-N 2 0 366.575 3.161 20 0 FGADRP CCC1CC[NH+]([C@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000053379293 494124081 /nfs/dbraw/zinc/12/40/81/494124081.db2.gz UGFUTDVNOLZOPM-GOSISDBHSA-N 2 0 357.542 3.278 20 0 FGADRP CCC[N@@H+]1CC[C@H](CNC(=O)NCc2ccc(C[NH+](CC)CC)cc2)C1 ZINC000054509962 494241853 /nfs/dbraw/zinc/24/18/53/494241853.db2.gz CWNBKQODBPNXTD-HXUWFJFHSA-N 2 0 360.546 3.060 20 0 FGADRP CC[NH+](CC)CCN(CC(C)C)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000042908786 494251421 /nfs/dbraw/zinc/25/14/21/494251421.db2.gz NDQUKVWZRQYGIP-UHFFFAOYSA-N 2 0 354.583 3.305 20 0 FGADRP CCC[NH+]1CCN(c2ccccc2C[NH2+]C[C@@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC000088703154 494256218 /nfs/dbraw/zinc/25/62/18/494256218.db2.gz MHCFKEWJATYWLD-NRFANRHFSA-N 3 0 372.601 3.429 20 0 FGADRP C[C@H]([NH2+]CC1CCN(c2cc[nH+]cc2)CC1)c1ccc([S@@](C)=O)cc1 ZINC000089214713 494274134 /nfs/dbraw/zinc/27/41/34/494274134.db2.gz HLYWMWVLJGVMJE-LMKMVOKYSA-N 2 0 357.523 3.386 20 0 FGADRP C[C@@H]([NH2+]Cc1ccncc1OCC[NH+](C)C)c1ccc2c(c1)OCCCO2 ZINC000580240815 505711489 /nfs/dbraw/zinc/71/14/89/505711489.db2.gz SNHOTPWTDYNNDG-MRXNPFEDSA-N 2 0 371.481 3.034 20 0 FGADRP CC[N@H+](C)[C@H](C(=O)NCC1CCN(c2cc[nH+]cc2)CC1)c1ccccc1 ZINC000089393718 494298766 /nfs/dbraw/zinc/29/87/66/494298766.db2.gz BPIXWNGBIQJNQR-NRFANRHFSA-N 2 0 366.509 3.107 20 0 FGADRP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)N(C)C1CC[NH+](CCC)CC1 ZINC000066704723 494389188 /nfs/dbraw/zinc/38/91/88/494389188.db2.gz IDYSFSZCAVSQOY-IBGZPJMESA-N 2 0 352.567 3.157 20 0 FGADRP C[NH+](C)C[C@@H](NC(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(F)cc1 ZINC000577387995 505718702 /nfs/dbraw/zinc/71/87/02/505718702.db2.gz ZJMSRQUSKPZUSR-TZIWHRDSSA-N 2 0 369.484 3.067 20 0 FGADRP CC[NH+](CC)[C@H](C)CNC(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000073653711 494407814 /nfs/dbraw/zinc/40/78/14/494407814.db2.gz CAWAJPFEYCRROI-RYRKJORJSA-N 2 0 366.575 3.161 20 0 FGADRP Cc1c[nH+]ccc1N1CCC(C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)CC1 ZINC000073764303 494424396 /nfs/dbraw/zinc/42/43/96/494424396.db2.gz PZQSRDFWHIETPF-IBGZPJMESA-N 2 0 360.546 3.089 20 0 FGADRP C[C@H]([NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1)c1cccs1 ZINC000090028694 494431512 /nfs/dbraw/zinc/43/15/12/494431512.db2.gz PLQTZGDEAKNXLH-INIZCTEOSA-N 2 0 357.523 3.425 20 0 FGADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)NCCCC[NH+]2CCCC[C@@H]2C)C1 ZINC000079393011 494446136 /nfs/dbraw/zinc/44/61/36/494446136.db2.gz HJXGSGSMTZTNPJ-UXHICEINSA-N 2 0 366.594 3.452 20 0 FGADRP C[C@@H]([NH2+]Cc1ccc([S@](C)=O)cc1)c1cccc(OCC[NH+](C)C)c1 ZINC000090221121 494456375 /nfs/dbraw/zinc/45/63/75/494456375.db2.gz GFWONFOFOREZAQ-PUAOIOHZSA-N 2 0 360.523 3.215 20 0 FGADRP CC(C)[N@H+](C)CC1CCN(C(=O)NC[C@H](C)[NH+]2CCCC[C@H]2C)CC1 ZINC000079599404 494490431 /nfs/dbraw/zinc/49/04/31/494490431.db2.gz NRNYLOACELFCIL-MSOLQXFVSA-N 2 0 352.567 3.011 20 0 FGADRP COc1c(C)cnc(C[NH+]2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c1C ZINC000067227517 494497186 /nfs/dbraw/zinc/49/71/86/494497186.db2.gz FFHBZONLNVMXHU-CALCHBBNSA-N 2 0 361.530 3.028 20 0 FGADRP C[C@@H](C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)[NH+]1CCCCCC1 ZINC000074249906 494504277 /nfs/dbraw/zinc/50/42/77/494504277.db2.gz TUCHEROKCVMJQS-ROUUACIJSA-N 2 0 363.571 3.341 20 0 FGADRP C[C@@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)c1ccc2c(c1)OCCCO2 ZINC000090936976 494504629 /nfs/dbraw/zinc/50/46/29/494504629.db2.gz JZOVQSRTMONVPP-MRXNPFEDSA-N 2 0 371.481 3.034 20 0 FGADRP COc1ccc2c(c1)OC[C@@H]([NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1)C2 ZINC000090964788 494507206 /nfs/dbraw/zinc/50/72/06/494507206.db2.gz UYIOEFIQBLWITP-LPHOPBHVSA-N 2 0 370.493 3.290 20 0 FGADRP Cc1nc2ccccc2n1C[C@@H]1CCCN1C(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000580293815 505725039 /nfs/dbraw/zinc/72/50/39/505725039.db2.gz VBMLJHAZRVLQLV-KURKYZTESA-N 2 0 369.513 3.036 20 0 FGADRP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000074299756 494513908 /nfs/dbraw/zinc/51/39/08/494513908.db2.gz BDNNZTPQHRGFQA-WMQCIHAUSA-N 2 0 370.541 3.090 20 0 FGADRP C[NH+](C)CCC1CC[NH+]([C@H](C(=O)N2CCCCC2)c2ccccc2)CC1 ZINC000056523567 494519834 /nfs/dbraw/zinc/51/98/34/494519834.db2.gz DYFAYLXOENEERL-NRFANRHFSA-N 2 0 357.542 3.404 20 0 FGADRP CCCC[N@H+](C)CC1CCN(C(=O)NCCC2CC[NH+](CC)CC2)CC1 ZINC000074713505 494580403 /nfs/dbraw/zinc/58/04/03/494580403.db2.gz HVNFQTXSNAQBSD-UHFFFAOYSA-N 2 0 366.594 3.262 20 0 FGADRP C[C@H](C[NH2+][C@H](C)c1cccc(OC(F)(F)F)c1)CN1CC[NH+](C)CC1 ZINC000121075359 494583035 /nfs/dbraw/zinc/58/30/35/494583035.db2.gz ZIFMZHFKKSUFRE-HUUCEWRRSA-N 2 0 359.436 3.119 20 0 FGADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H]1CCc2c1cccc2Br ZINC000091369106 494587772 /nfs/dbraw/zinc/58/77/72/494587772.db2.gz IBDODXJNWSPUKZ-CXAGYDPISA-N 2 0 355.320 3.383 20 0 FGADRP CC[NH+](CC)CCN(CC(C)C)C(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000107833766 494608397 /nfs/dbraw/zinc/60/83/97/494608397.db2.gz VADOHPQAZRRXES-UHFFFAOYSA-N 2 0 354.583 3.260 20 0 FGADRP FC(F)(F)c1ccn(-c2ccc(C[NH2+]C[C@@H]3CC[N@@H+](C4CC4)C3)cc2)n1 ZINC000067693059 494612833 /nfs/dbraw/zinc/61/28/33/494612833.db2.gz JAPXIVAEISOBTD-HNNXBMFYSA-N 2 0 364.415 3.465 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)NC1CC[NH+](CC(C)C)CC1)c1ccco1 ZINC000067708211 494619395 /nfs/dbraw/zinc/61/93/95/494619395.db2.gz KWQARUUUDDCBQA-GOSISDBHSA-N 2 0 364.534 3.082 20 0 FGADRP CC1CC[NH+](CCCCNC(=O)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000107977359 494630455 /nfs/dbraw/zinc/63/04/55/494630455.db2.gz JREKYOHWFLBRLJ-WOJBJXKFSA-N 2 0 366.594 3.166 20 0 FGADRP C[C@H]([NH2+]CCCN1CC[N@H+](C)C[C@@H]1c1ccccc1)c1cccc(CO)c1 ZINC000121177726 494632642 /nfs/dbraw/zinc/63/26/42/494632642.db2.gz MBLYMNSVTXMTRA-WMZHIEFXSA-N 2 0 367.537 3.208 20 0 FGADRP C[C@@H]([NH2+]CCCN1CC[NH+](Cc2ccccc2)CC1)c1cccc(CO)c1 ZINC000121178863 494633080 /nfs/dbraw/zinc/63/30/80/494633080.db2.gz NKOLNEUSCDQBAZ-HXUWFJFHSA-N 2 0 367.537 3.037 20 0 FGADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000074878970 494640008 /nfs/dbraw/zinc/64/00/08/494640008.db2.gz FFYPNASJFNGVCI-WOJBJXKFSA-N 2 0 364.578 3.014 20 0 FGADRP CC(C)CC[NH+]1CCC(CNC(=O)N2CCC[C@@H]2C[NH+]2CCCC2)CC1 ZINC000080216223 494642239 /nfs/dbraw/zinc/64/22/39/494642239.db2.gz LGJLEDZHPJULRS-HXUWFJFHSA-N 2 0 364.578 3.014 20 0 FGADRP Cc1nccn1CCCC[NH+]1CCC(C(=O)Nc2ccc(C)cn2)CC1 ZINC000126151124 494654366 /nfs/dbraw/zinc/65/43/66/494654366.db2.gz AARYXCDOAWKGCP-UHFFFAOYSA-N 2 0 355.486 3.026 20 0 FGADRP C[C@H]1C[NH+](CC2CC[NH+](Cc3c[nH]nc3-c3ccccc3)CC2)C[C@H](C)O1 ZINC000092587142 494678457 /nfs/dbraw/zinc/67/84/57/494678457.db2.gz OKJINIIFUGQVJT-ROUUACIJSA-N 2 0 368.525 3.398 20 0 FGADRP C[C@@H]([NH2+]CCCC[NH+]1CCN(c2ccccc2)CC1)c1ccc(F)cn1 ZINC000092741135 494734384 /nfs/dbraw/zinc/73/43/84/494734384.db2.gz QQRQLSVLICMSAY-GOSISDBHSA-N 2 0 356.489 3.474 20 0 FGADRP CC[NH+](CC)CCOc1ccccc1NC(=O)[C@@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC000080599013 494741171 /nfs/dbraw/zinc/74/11/71/494741171.db2.gz YXOVITWNZJKLON-MSOLQXFVSA-N 2 0 359.514 3.220 20 0 FGADRP Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)[C@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC000080610647 494744590 /nfs/dbraw/zinc/74/45/90/494744590.db2.gz DLSBODCLJPERRD-OALUTQOASA-N 2 0 373.566 3.357 20 0 FGADRP C[C@H](C(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCCCCC1 ZINC000075410835 494760553 /nfs/dbraw/zinc/76/05/53/494760553.db2.gz QZYBUAZXRYITQL-CTNGQTDRSA-N 2 0 357.542 3.231 20 0 FGADRP C[C@@H](C(=O)NC1CCCCC1)[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092820873 494760822 /nfs/dbraw/zinc/76/08/22/494760822.db2.gz FQFYHDVCCNIQHS-SFHVURJKSA-N 2 0 372.557 3.457 20 0 FGADRP C[C@H](C(=O)Nc1nccs1)[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821609 494764291 /nfs/dbraw/zinc/76/42/91/494764291.db2.gz YUFHGXAGRZBXCZ-OAHLLOKOSA-N 2 0 373.526 3.104 20 0 FGADRP C[NH+](C)[C@H](CNC(=O)c1cccc(C[NH+]2CCCC2)c1)c1cccc(F)c1 ZINC000108711143 494767308 /nfs/dbraw/zinc/76/73/08/494767308.db2.gz MPUCABZEZAUOAB-OAQYLSRUSA-N 2 0 369.484 3.454 20 0 FGADRP C[C@@H]([NH2+]C[C@@H](O)COc1ccc(F)cc1)c1ccc(-n2ccnc2)cc1 ZINC000121473243 494771754 /nfs/dbraw/zinc/77/17/54/494771754.db2.gz LNORVUAQJFXGKY-DNVCBOLYSA-N 2 0 355.413 3.102 20 0 FGADRP CC[N@H+](CCNC(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1)C(C)C ZINC000116433866 494785205 /nfs/dbraw/zinc/78/52/05/494785205.db2.gz NXEWJYYQVBEHPV-GOSISDBHSA-N 2 0 360.546 3.242 20 0 FGADRP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCC(Cn2ccnn2)CC1 ZINC000092098566 494787185 /nfs/dbraw/zinc/78/71/85/494787185.db2.gz HUXCDRVKXVKEGR-UHFFFAOYSA-N 2 0 355.530 3.148 20 0 FGADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000075538695 494789490 /nfs/dbraw/zinc/78/94/90/494789490.db2.gz ZKKODZTVYJLBIT-HXUWFJFHSA-N 2 0 372.557 3.024 20 0 FGADRP C[C@@H](C(=O)N1CCC[C@@H]1c1cccs1)[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000121647587 494829546 /nfs/dbraw/zinc/82/95/46/494829546.db2.gz WKVYHTJDYFTCBV-FUHWJXTLSA-N 2 0 363.571 3.464 20 0 FGADRP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3c(OC)ccc4ccccc43)C2)CC1 ZINC000093132727 494829988 /nfs/dbraw/zinc/82/99/88/494829988.db2.gz XKLLWFCMXHFPPM-IBGZPJMESA-N 2 0 353.510 3.060 20 0 FGADRP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3cc(C)c(OC(F)F)c(C)c3)C2)CC1 ZINC000093132844 494830209 /nfs/dbraw/zinc/83/02/09/494830209.db2.gz HPAZAQDCYSNQAE-GOSISDBHSA-N 2 0 367.484 3.117 20 0 FGADRP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3ccc4cc(OC)ccc4c3)C2)CC1 ZINC000093132747 494830854 /nfs/dbraw/zinc/83/08/54/494830854.db2.gz VBNUSAZRQULLPY-NRFANRHFSA-N 2 0 353.510 3.060 20 0 FGADRP CC(C)C[C@@H](C[NH2+]C1CC[NH+](CCc2ccccc2)CC1)N1CCOCC1 ZINC000121718717 494844609 /nfs/dbraw/zinc/84/46/09/494844609.db2.gz SURXFOAMYLIGNO-QHCPKHFHSA-N 2 0 373.585 3.030 20 0 FGADRP CC[NH+]1CCC(CC[NH2+][C@@H](C)c2nnn(-c3ccc(F)cc3)c2C)CC1 ZINC000121748799 494851971 /nfs/dbraw/zinc/85/19/71/494851971.db2.gz YNEHIOMSWAUZRG-HNNXBMFYSA-N 2 0 359.493 3.487 20 0 FGADRP CC[NH+]1CCN([C@H]2CC[N@H+](CCCc3cccc4ccccc43)C2)CC1 ZINC000132303128 494854457 /nfs/dbraw/zinc/85/44/57/494854457.db2.gz VUQMAFUTWXSKJW-QFIPXVFZSA-N 2 0 351.538 3.484 20 0 FGADRP CCC(CC)[C@@H](C[NH2+]C1CCN(C(=O)c2ccco2)CC1)[NH+]1CCCC1 ZINC000132342701 494859641 /nfs/dbraw/zinc/85/96/41/494859641.db2.gz LPDCESLEOSZWLM-LJQANCHMSA-N 2 0 361.530 3.374 20 0 FGADRP CC(C)c1ccc(CC[NH2+]Cc2ccc(N3CC[NH+](C)CC3)nc2)cc1 ZINC000121898088 494884629 /nfs/dbraw/zinc/88/46/29/494884629.db2.gz VJUVGDVRLLWEKS-UHFFFAOYSA-N 2 0 352.526 3.289 20 0 FGADRP COc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(C[NH+]3CCC(O)CC3)cc1)CC2 ZINC000132652817 494905500 /nfs/dbraw/zinc/90/55/00/494905500.db2.gz PFMOUBZYZHMTFC-QHCPKHFHSA-N 2 0 366.505 3.429 20 0 FGADRP CC[NH+](CC)Cc1ccccc1C[NH2+][C@@H](C)CS(=O)(=O)c1ccccc1 ZINC000122018005 494910125 /nfs/dbraw/zinc/91/01/25/494910125.db2.gz TWTYXKAWKSIJEU-SFHVURJKSA-N 2 0 374.550 3.480 20 0 FGADRP CCC[NH+]1CCC([N@H+](C)C[C@H](O)COc2cccc3ccccc32)CC1 ZINC000109786904 494917604 /nfs/dbraw/zinc/91/76/04/494917604.db2.gz AUJSGNUTRWUWLD-FQEVSTJZSA-N 2 0 356.510 3.386 20 0 FGADRP C[C@H](C[NH2+][C@H](C)c1ccc(SCC(F)F)cc1)N1CC[NH+](C)CC1 ZINC000127339500 494930522 /nfs/dbraw/zinc/93/05/22/494930522.db2.gz WDHWIHAOIUOWIE-HUUCEWRRSA-N 2 0 357.514 3.330 20 0 FGADRP C[C@H](C[NH2+][C@@H](C)c1ccc(SCC(F)F)cc1)N1CC[NH+](C)CC1 ZINC000127339042 494930613 /nfs/dbraw/zinc/93/06/13/494930613.db2.gz WDHWIHAOIUOWIE-CABCVRRESA-N 2 0 357.514 3.330 20 0 FGADRP C[C@@H]([NH2+]C[C@H](C)N1CC[NH+](C)CC1)c1ccc(SCC(F)F)cc1 ZINC000127339263 494930878 /nfs/dbraw/zinc/93/08/78/494930878.db2.gz WDHWIHAOIUOWIE-LSDHHAIUSA-N 2 0 357.514 3.330 20 0 FGADRP CC[NH+](CC)[C@@H]1CCN(Cc2ccccc2N(C)C2CC[NH+](C)CC2)C1 ZINC000127359827 494933222 /nfs/dbraw/zinc/93/32/22/494933222.db2.gz DFZAHIBNKNYZHO-OAQYLSRUSA-N 2 0 358.574 3.133 20 0 FGADRP COCC[N@H+](C)CCCC1CC[NH+](Cc2ccc(OC)c(F)c2)CC1 ZINC000122196320 494938784 /nfs/dbraw/zinc/93/87/84/494938784.db2.gz ZVQXKALDTXCWLH-UHFFFAOYSA-N 2 0 352.494 3.405 20 0 FGADRP CC(C)[C@H](CNCc1ccccc1N(C)C1CC[NH+](C)CC1)[NH+]1CCCC1 ZINC000132913736 494942294 /nfs/dbraw/zinc/94/22/94/494942294.db2.gz RHQYQXQTKPZZKF-QHCPKHFHSA-N 2 0 372.601 3.427 20 0 FGADRP C[C@H](C[NH2+]C1CCN(c2ccc(C(C)(C)C)cc2)CC1)N1CC[NH+](C)CC1 ZINC000127460208 494947775 /nfs/dbraw/zinc/94/77/75/494947775.db2.gz WQCFRKYSZZFPGX-LJQANCHMSA-N 2 0 372.601 3.178 20 0 FGADRP Cc1cccc([C@H]2CCC[N@H+]2CC(=O)NC2CC[NH+](C(C)C)CC2)c1C ZINC000122257577 494948154 /nfs/dbraw/zinc/94/81/54/494948154.db2.gz BRZAGKHCBGBQKW-OAQYLSRUSA-N 2 0 357.542 3.429 20 0 FGADRP CCCCOc1ccc([C@H](C)[NH2+]C[C@@H](C)N2CC[NH+](C)CC2)cc1OC ZINC000127750359 494991711 /nfs/dbraw/zinc/99/17/11/494991711.db2.gz PMXOSTKPQJHAGT-MSOLQXFVSA-N 2 0 363.546 3.161 20 0 FGADRP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]CCc1c[nH]c2cc(F)ccc12 ZINC000127801150 495000820 /nfs/dbraw/zinc/00/08/20/495000820.db2.gz VPXXYVDYUXRXPX-BPAFIMBUSA-N 2 0 359.489 3.329 20 0 FGADRP CCC[N@H+](CC)C[C@H](C)NC(=O)N[C@H]1CC[NH+]([C@H](C)c2ccccc2)C1 ZINC000580417623 505755040 /nfs/dbraw/zinc/75/50/40/505755040.db2.gz RZGLYEMDWXSXGM-NSHGMRRFSA-N 2 0 360.546 3.242 20 0 FGADRP C[C@@H]([NH3+])c1ccc(CNC(=O)NC[C@H](c2ccc(Cl)cc2)[NH+](C)C)cc1 ZINC000580420370 505755814 /nfs/dbraw/zinc/75/58/14/505755814.db2.gz WQSDRBVMJSZGAR-AUUYWEPGSA-N 2 0 374.916 3.462 20 0 FGADRP CCC[NH+]1CCC(C[NH2+][C@@H](C)c2ccc(S(C)(=O)=O)c(F)c2)CC1 ZINC000122728405 495022182 /nfs/dbraw/zinc/02/21/82/495022182.db2.gz OCJSKNMOBHIWPN-AWEZNQCLSA-N 2 0 356.507 3.002 20 0 FGADRP O[C@@H](C[NH2+]C1CC[NH+](C2CCCCC2)CC1)COc1ccc(F)c(F)c1 ZINC000133621184 495037033 /nfs/dbraw/zinc/03/70/33/495037033.db2.gz REPDGESAWZWFKL-KRWDZBQOSA-N 2 0 368.468 3.091 20 0 FGADRP Cn1ccnc1COc1ccc(C[NH+]2CCC(CC[NH+](C)C)CC2)cc1 ZINC000118868408 495050963 /nfs/dbraw/zinc/05/09/63/495050963.db2.gz ZWWCNVCQSQNRAW-UHFFFAOYSA-N 2 0 356.514 3.163 20 0 FGADRP CCC[NH+]1CCC([N@H+](C)C[C@H](O)COc2ccc3ccccc3c2)CC1 ZINC000111241145 495052748 /nfs/dbraw/zinc/05/27/48/495052748.db2.gz LSTODCSXCJBFII-NRFANRHFSA-N 2 0 356.510 3.386 20 0 FGADRP Cc1cc([C@H](C)[NH2+]CCCN2CCN(c3ncccn3)CC2)cc(C)c1F ZINC000133735705 495054152 /nfs/dbraw/zinc/05/41/52/495054152.db2.gz FORBRGAULLBFOC-SFHVURJKSA-N 2 0 371.504 3.095 20 0 FGADRP CC[C@H](C[NH2+]C1CCN(CC(F)(F)F)CC1)N1CCc2ccccc2C1 ZINC000123097615 495079910 /nfs/dbraw/zinc/07/99/10/495079910.db2.gz XDGBGNNQTDSEOF-LJQANCHMSA-N 2 0 369.475 3.440 20 0 FGADRP Cc1nc(-c2cccc(NC(=O)CN(C)[C@@H]3CC[N@H+](C)[C@H](C)C3)c2)cs1 ZINC000123179672 495092840 /nfs/dbraw/zinc/09/28/40/495092840.db2.gz UQUASWAYLVHTEE-RDTXWAMCSA-N 2 0 372.538 3.472 20 0 FGADRP C[C@H](C(=O)NCc1ccc(Cl)cc1)[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123341585 495117954 /nfs/dbraw/zinc/11/79/54/495117954.db2.gz SBLOGSKZHZMQQG-MRXNPFEDSA-N 2 0 365.949 3.399 20 0 FGADRP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2C[C@@H](c3ccccc3)C(C)(C)C2)CC1 ZINC000134278598 495129108 /nfs/dbraw/zinc/12/91/08/495129108.db2.gz PMDKQCYMRIWJDD-FQEVSTJZSA-N 2 0 357.542 3.101 20 0 FGADRP C[C@@H]([NH3+])c1ccc(CNC(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)cc1 ZINC000577605839 505763235 /nfs/dbraw/zinc/76/32/35/505763235.db2.gz XEPJFWLRGRINST-OXQOHEQNSA-N 2 0 358.530 3.303 20 0 FGADRP C[NH+](C)CCCCCCCNC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000128694723 495136634 /nfs/dbraw/zinc/13/66/34/495136634.db2.gz UGSRHLADJHLEPG-UYAOXDASSA-N 2 0 364.578 3.157 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000128720362 495140771 /nfs/dbraw/zinc/14/07/71/495140771.db2.gz IHUJFCVUXYSMFV-GOSISDBHSA-N 2 0 360.546 3.202 20 0 FGADRP c1cnn([C@@H]2CCCC[C@@H]2[NH2+]CCC[NH2+][C@@H]2CCCC[C@@H]2n2cccn2)c1 ZINC000128945183 495172409 /nfs/dbraw/zinc/17/24/09/495172409.db2.gz NSDLMROVQLUZEE-UJOPUZHASA-N 2 0 370.545 3.317 20 0 FGADRP C[C@H]([NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1)c1cccc(Cl)c1 ZINC000112542258 495202870 /nfs/dbraw/zinc/20/28/70/495202870.db2.gz LFBVQQQKZWMOMJ-HNNXBMFYSA-N 2 0 359.901 3.482 20 0 FGADRP C[C@H]1C[C@@H]1[N@@H+]1CCN(C(=O)c2ccc(C[NH+]3CCCC3)cc2)C[C@@H](C)C1 ZINC000571590878 505767495 /nfs/dbraw/zinc/76/74/95/505767495.db2.gz CVIWOWHGNKHDEY-WFXMLNOXSA-N 2 0 355.526 3.085 20 0 FGADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N(C)CC1CC[NH+](C)CC1 ZINC000103511626 495245313 /nfs/dbraw/zinc/24/53/13/495245313.db2.gz XPGDPVVUJJXFRB-UHFFFAOYSA-N 2 0 360.546 3.010 20 0 FGADRP CCC[NH+]1CCC(N2CC[NH+](CCCc3cccc(OC)c3)CC2)CC1 ZINC000119865301 495257839 /nfs/dbraw/zinc/25/78/39/495257839.db2.gz WDCSKKBZFCDMRE-UHFFFAOYSA-N 2 0 359.558 3.120 20 0 FGADRP CCCOc1ccc(NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc1Cl ZINC000119929238 495271885 /nfs/dbraw/zinc/27/18/85/495271885.db2.gz WMQKVLMFZGBOFN-UHFFFAOYSA-N 2 0 370.925 3.086 20 0 FGADRP C[C@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)c1ccccc1Br ZINC000124368740 495276967 /nfs/dbraw/zinc/27/69/67/495276967.db2.gz QAIFMAUVURRKTR-HNNXBMFYSA-N 2 0 368.363 3.373 20 0 FGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC(C[NH+](C)Cc2ccccc2)CC1 ZINC000104392021 495282261 /nfs/dbraw/zinc/28/22/61/495282261.db2.gz UJMQXQRIGYOKBC-NRFANRHFSA-N 2 0 357.542 3.231 20 0 FGADRP C[NH+](CCCC[N@@H+](C)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000120106837 495308256 /nfs/dbraw/zinc/30/82/56/495308256.db2.gz QHSHZYVNPRKMCE-FZWBFHRNSA-N 2 0 364.574 3.257 20 0 FGADRP CC[NH+](CC)[C@@H](C(=O)NCc1cccc(C[NH+](C)C)c1)c1ccccc1 ZINC000104837397 495309327 /nfs/dbraw/zinc/30/93/27/495309327.db2.gz CEUYVLGRMFXZQP-OAQYLSRUSA-N 2 0 353.510 3.448 20 0 FGADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)N(C)CC1CC[NH+](C)CC1)c1ccccc1 ZINC000113625333 495322905 /nfs/dbraw/zinc/32/29/05/495322905.db2.gz OLDIEBOYNUPYCB-QGZVFWFLSA-N 2 0 360.546 3.099 20 0 FGADRP CC[N@H+](C)Cc1cccc(CNC(=O)NC[C@H](C(C)C)[NH+]2CCCC2)c1 ZINC000105207421 495345728 /nfs/dbraw/zinc/34/57/28/495345728.db2.gz XPYGVBDQYSUKFV-HXUWFJFHSA-N 2 0 360.546 3.058 20 0 FGADRP Clc1ccc(-c2noc(CC[NH+]3CCC([C@@H]4CC[NH2+]C4)CC3)n2)cc1 ZINC000574453479 505776684 /nfs/dbraw/zinc/77/66/84/505776684.db2.gz PHKWOLKSCTWCSI-MRXNPFEDSA-N 2 0 360.889 3.254 20 0 FGADRP C[NH+](C)CCOc1cc(C[NH2+]Cc2cccc3c2OC(C)(C)C3)ccn1 ZINC000136213873 495364531 /nfs/dbraw/zinc/36/45/31/495364531.db2.gz AWDZQEMWHUEKDH-UHFFFAOYSA-N 2 0 355.482 3.025 20 0 FGADRP C[C@@H]([NH2+]CCCN1CC[NH+](C)CC1)C(c1ccccc1)c1ccccc1 ZINC000120407215 495370751 /nfs/dbraw/zinc/37/07/51/495370751.db2.gz ANZSPHNGUCDRCY-HXUWFJFHSA-N 2 0 351.538 3.434 20 0 FGADRP Cc1ccc(NC(=O)NC[C@H]2CCC[NH+](CC[C@@H]3CCC[N@H+]3C)C2)cc1 ZINC000125097492 495390543 /nfs/dbraw/zinc/39/05/43/495390543.db2.gz NXEHSNNKFZLKHW-QUCCMNQESA-N 2 0 358.530 3.313 20 0 FGADRP CC[NH+](CC)Cc1cccc(C[NH2+][C@H](C)C(=O)NCc2cccs2)c1 ZINC000120494355 495391071 /nfs/dbraw/zinc/39/10/71/495391071.db2.gz MBZLOGXPYJPKBI-MRXNPFEDSA-N 2 0 359.539 3.384 20 0 FGADRP C[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CCSc4ccc(F)cc43)cn2)CC1 ZINC000130442961 495393095 /nfs/dbraw/zinc/39/30/95/495393095.db2.gz LWJJFRCXNUKQOR-GOSISDBHSA-N 2 0 372.513 3.299 20 0 FGADRP C[C@@H]([NH2+]CCC1CC[NH+](C)CC1)c1ccc(OCc2nccn2C)cc1 ZINC000125335778 495427865 /nfs/dbraw/zinc/42/78/65/495427865.db2.gz WOUJUZNDWMFOPO-QGZVFWFLSA-N 2 0 356.514 3.382 20 0 FGADRP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+]([C@H]2CCCc3ccccc32)CC1 ZINC000130695395 495430930 /nfs/dbraw/zinc/43/09/30/495430930.db2.gz DEHUZBXPPMYCNL-NRFANRHFSA-N 2 0 371.569 3.480 20 0 FGADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)N[C@H](C[NH3+])c2ccc3ccccc3c2)C1 ZINC000571656829 505783839 /nfs/dbraw/zinc/78/38/39/505783839.db2.gz KLSDZLNQRFASNN-DYESRHJHSA-N 2 0 368.525 3.259 20 0 FGADRP C[C@@H](NC[C@H](C)C[NH+]1CCCCC1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000125607290 495470123 /nfs/dbraw/zinc/47/01/23/495470123.db2.gz YTVVCJHYUUFLIP-LSDHHAIUSA-N 2 0 356.507 3.002 20 0 FGADRP CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+]C[C@@H](C)C[NH+]2CCCCC2)cc1 ZINC000125615409 495472078 /nfs/dbraw/zinc/47/20/78/495472078.db2.gz JGLBIVCHKFPWKN-SJORKVTESA-N 2 0 367.559 3.221 20 0 FGADRP C[C@H]([NH2+]Cc1ccc(F)c(C[NH+](C)C)c1)c1ccc(S(C)(=O)=O)cc1 ZINC000120977948 495496828 /nfs/dbraw/zinc/49/68/28/495496828.db2.gz ONZNADZJGZIUKZ-AWEZNQCLSA-N 2 0 364.486 3.142 20 0 FGADRP CC(C)[C@@H](C(=O)Nc1ccc(NC(=O)C[NH+]2CCCCCC2)cc1)[NH+](C)C ZINC000106907816 495509816 /nfs/dbraw/zinc/50/98/16/495509816.db2.gz WINMELGOERMJME-FQEVSTJZSA-N 2 0 374.529 3.026 20 0 FGADRP CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](C(C)C)C2)cc1 ZINC000125882916 495513395 /nfs/dbraw/zinc/51/33/95/495513395.db2.gz SZYKVTYWHKUQAT-DLBZAZTESA-N 2 0 367.559 3.219 20 0 FGADRP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3c(C)cc(C)c(C(C)=O)c3C)C2)CC1 ZINC000107370672 495526277 /nfs/dbraw/zinc/52/62/77/495526277.db2.gz OISWODJGVSJMNI-HXUWFJFHSA-N 2 0 357.542 3.026 20 0 FGADRP C[C@H](C[NH+]1CCCCC1)NC(=O)Nc1ccc(OCCC[NH+](C)C)cc1 ZINC000107385238 495526737 /nfs/dbraw/zinc/52/67/37/495526737.db2.gz NTJDHXWDANZGTH-QGZVFWFLSA-N 2 0 362.518 3.013 20 0 FGADRP C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000580568705 505787997 /nfs/dbraw/zinc/78/79/97/505787997.db2.gz NYLOEDJPUIXBIA-MXNKGDRCSA-N 2 0 369.553 3.372 20 0 FGADRP C[C@H]1C[C@H](C)C[NH+](CCCC[NH2+]C2CCN(C(=O)c3ccco3)CC2)C1 ZINC000158604471 495547968 /nfs/dbraw/zinc/54/79/68/495547968.db2.gz CAQPPVHHBFWLJJ-ROUUACIJSA-N 2 0 361.530 3.232 20 0 FGADRP CCCC[NH+]1CCC(NC(=O)NCCC[N@H+](C)C2CCCCC2)CC1 ZINC000158657980 495560673 /nfs/dbraw/zinc/56/06/73/495560673.db2.gz NNTMVHRIGCZQOF-UHFFFAOYSA-N 2 0 352.567 3.205 20 0 FGADRP CC[C@H]([NH2+]CCCC[NH+]1CCN(Cc2ccccc2)CC1)c1nccn1C ZINC000182498625 495588005 /nfs/dbraw/zinc/58/80/05/495588005.db2.gz VXOKBOFXQUKFGA-NRFANRHFSA-N 2 0 369.557 3.059 20 0 FGADRP Clc1ccc(CN2CCC([NH2+]CCCC[NH+]3CCOCC3)CC2)cc1 ZINC000158796062 495590886 /nfs/dbraw/zinc/59/08/86/495590886.db2.gz ODPLGMHHFHRUPS-UHFFFAOYSA-N 2 0 365.949 3.006 20 0 FGADRP C[N@@H+]1CC[C@H](NCC2([NH+]3CCCC3)CCOCC2)C[C@H]1c1ccccc1 ZINC000577775863 505791018 /nfs/dbraw/zinc/79/10/18/505791018.db2.gz XNTBBHNBSCYUPP-SFTDATJTSA-N 2 0 357.542 3.057 20 0 FGADRP CCS(=O)(=O)C[C@@H](C)[NH2+]Cc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000182534402 495602982 /nfs/dbraw/zinc/60/29/82/495602982.db2.gz VNSAYGRKLGAMBP-QGZVFWFLSA-N 2 0 366.571 3.364 20 0 FGADRP C[C@@H](NC(=O)NC1CC[NH+](C(C)(C)C)CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182547293 495608428 /nfs/dbraw/zinc/60/84/28/495608428.db2.gz ZGTKOUDRMYGSKJ-SJORKVTESA-N 2 0 364.578 3.202 20 0 FGADRP Oc1cc(F)cc(C[NH2+]CC2CC[NH+](C[C@H](O)c3ccccc3)CC2)c1 ZINC000185523055 495609792 /nfs/dbraw/zinc/60/97/92/495609792.db2.gz IHXKDJPISCOOEV-NRFANRHFSA-N 2 0 358.457 3.067 20 0 FGADRP CC[C@@H]([NH2+]CC(=O)NC1CC[NH+](CC)CC1)C12CC3CC(CC(C3)C1)C2 ZINC000580588761 505792477 /nfs/dbraw/zinc/79/24/77/505792477.db2.gz HHWJXLJUXQHAHE-MYZSEDEFSA-N 2 0 361.574 3.172 20 0 FGADRP C[C@H]([NH2+]CCCC[NH+]1CCN(C)CC1)c1cccc(OC(F)(F)F)c1 ZINC000154437455 495615812 /nfs/dbraw/zinc/61/58/12/495615812.db2.gz QWOXHFPERPRLFG-HNNXBMFYSA-N 2 0 359.436 3.263 20 0 FGADRP C[C@@H](c1nc2ccccc2s1)[C@H](C)[NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000158931570 495618300 /nfs/dbraw/zinc/61/83/00/495618300.db2.gz SCHRBPALCOFRMP-IXDOHACOSA-N 2 0 361.555 3.471 20 0 FGADRP CCc1nc(CN2CCN(Cc3ccc(-n4ccnc4)cc3)CC2)cs1 ZINC000154449661 495619831 /nfs/dbraw/zinc/61/98/31/495619831.db2.gz GNAJJZCPRKSYNE-UHFFFAOYSA-N 2 0 367.522 3.209 20 0 FGADRP C[N@@H+]1CCC[C@@H]2C[NH+](CCOc3ccc(OC(F)(F)F)cc3)CC[C@@H]21 ZINC000158946822 495622320 /nfs/dbraw/zinc/62/23/20/495622320.db2.gz QSIKDCPIKALGNN-PBHICJAKSA-N 2 0 358.404 3.380 20 0 FGADRP CC[NH+](CC)CCCC1CCN(C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000182582379 495624799 /nfs/dbraw/zinc/62/47/99/495624799.db2.gz LUFHOZFJNFCSDO-LJQANCHMSA-N 2 0 364.578 3.014 20 0 FGADRP CCC(CC)[C@H](CNC(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1)[NH+]1CCCC1 ZINC000173681611 495645942 /nfs/dbraw/zinc/64/59/42/495645942.db2.gz SPJOMVMBQOTPEC-QRQLOZEOSA-N 2 0 352.567 3.011 20 0 FGADRP Cc1sc2nc([C@H](C)N3CC[C@H](C[NH+]4CCCC4)C3)nc(N)c2c1C ZINC000150852674 495656497 /nfs/dbraw/zinc/65/64/97/495656497.db2.gz IMBOMDAEWVSPRG-DZGCQCFKSA-N 2 0 359.543 3.369 20 0 FGADRP O=C(NC1CC[NH+](C2CCCCC2)CC1)N1CCC([NH+]2CCCC2)CC1 ZINC000176494837 495672643 /nfs/dbraw/zinc/67/26/43/495672643.db2.gz NBSGBBFIGASGFA-UHFFFAOYSA-N 2 0 362.562 3.053 20 0 FGADRP C[N@@H+]1CCC[C@@H]2C[NH+](C[C@H](O)Cc3ccc(C(F)(F)F)cc3)CC[C@@H]21 ZINC000159159703 495672720 /nfs/dbraw/zinc/67/27/20/495672720.db2.gz DUXKXKSJFFIKIG-NXHRZFHOSA-N 2 0 356.432 3.025 20 0 FGADRP CC[C@H]1[C@H](C)CC[N@@H+]1CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000185674082 495674419 /nfs/dbraw/zinc/67/44/19/495674419.db2.gz NHUFSAYUFYLADB-NQIIRXRSSA-N 2 0 357.542 3.196 20 0 FGADRP CC[NH+](CC)CCCC1CC[NH+](CC(=O)NCc2ccccc2F)CC1 ZINC000182746807 495686298 /nfs/dbraw/zinc/68/62/98/495686298.db2.gz ABGURNZGDMUEEJ-UHFFFAOYSA-N 2 0 363.521 3.276 20 0 FGADRP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+]2CC[C@@H](C)[C@H](C)C2)CC1 ZINC000179687005 495690771 /nfs/dbraw/zinc/69/07/71/495690771.db2.gz ISBKHUHWDWPVJO-IEBWSBKVSA-N 2 0 357.542 3.054 20 0 FGADRP CCOc1ccc(Cl)cc1[C@H](C)[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000150967023 495696833 /nfs/dbraw/zinc/69/68/33/495696833.db2.gz ZPSGEHMXYCGAOF-HNNXBMFYSA-N 2 0 353.938 3.415 20 0 FGADRP CN(C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000176565136 495700758 /nfs/dbraw/zinc/70/07/58/495700758.db2.gz RSYRKSJPQJHOBF-TZIWHRDSSA-N 2 0 372.557 3.165 20 0 FGADRP COc1ccc(NC(=O)CC[NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1 ZINC000185755520 495712806 /nfs/dbraw/zinc/71/28/06/495712806.db2.gz MXLINANZBFGRMP-DLBZAZTESA-N 2 0 359.514 3.266 20 0 FGADRP C[C@@H]([NH2+]C[C@@H]1CN(c2ccccc2)C(=O)O1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185763150 495716223 /nfs/dbraw/zinc/71/62/23/495716223.db2.gz VUNNOWNNYDJCKI-FUHIMQAGSA-N 2 0 357.498 3.254 20 0 FGADRP CN(c1ccccc1C[NH2+]C[C@@]1(C)CCCC[C@H]1O)C1CC[NH+](C)CC1 ZINC000151075502 495730713 /nfs/dbraw/zinc/73/07/13/495730713.db2.gz IDWVVDGRVDYMIP-FGZHOGPDSA-N 2 0 359.558 3.248 20 0 FGADRP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)CC(=O)N(C)Cc2cccc(Cl)c2)C1 ZINC000151096141 495736758 /nfs/dbraw/zinc/73/67/58/495736758.db2.gz BZZWEQSMSGWWDU-WMZOPIPTSA-N 2 0 365.949 3.399 20 0 FGADRP CCC[NH+]1CCC(N(C)C(=O)N[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)CC1 ZINC000182874806 495738084 /nfs/dbraw/zinc/73/80/84/495738084.db2.gz GPGGGJMGDATCJS-ROUUACIJSA-N 2 0 364.578 3.155 20 0 FGADRP Cc1ccc(-c2ncc(C[NH2+][C@@H](C)CCN3CC[NH+](C)CC3)s2)cc1 ZINC000185863770 495755378 /nfs/dbraw/zinc/75/53/78/495755378.db2.gz LXRKCFHDYLBCBC-KRWDZBQOSA-N 2 0 358.555 3.234 20 0 FGADRP Fc1ccccc1SCC[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000173957271 495763581 /nfs/dbraw/zinc/76/35/81/495763581.db2.gz XFQYUACLWDRQNR-UHFFFAOYSA-N 2 0 352.519 3.495 20 0 FGADRP COc1ccccc1-c1ccc(C[NH2+][C@H](C)CCN2CC[NH+](C)CC2)cc1 ZINC000185881251 495763632 /nfs/dbraw/zinc/76/36/32/495763632.db2.gz MRUJSBFFVPFJKJ-LJQANCHMSA-N 2 0 367.537 3.478 20 0 FGADRP C[NH+]1CCN(CCC(C)(C)[NH2+]Cc2cnc(-c3cccs3)s2)CC1 ZINC000185887697 495765937 /nfs/dbraw/zinc/76/59/37/495765937.db2.gz IWHXWXFCSHOJDB-UHFFFAOYSA-N 2 0 364.584 3.377 20 0 FGADRP Cc1c([C@@H](C)[NH2+][C@@H](C)CN2CC[NH+](C)CC2)cnn1-c1cc(C)ccc1C ZINC000154901989 495767070 /nfs/dbraw/zinc/76/70/70/495767070.db2.gz RPQKURMFAMCAJC-RBUKOAKNSA-N 2 0 369.557 3.084 20 0 FGADRP Fc1ccccc1OCC[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000182969041 495779648 /nfs/dbraw/zinc/77/96/48/495779648.db2.gz WHVJJGAMPMPNQE-UHFFFAOYSA-N 2 0 350.478 3.029 20 0 FGADRP C[C@@H]1[C@H]([NH+]2CCCC2)CCN1Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000580637201 505803086 /nfs/dbraw/zinc/80/30/86/505803086.db2.gz YESJCLGWTIPQCB-DENIHFKCSA-N 2 0 370.585 3.276 20 0 FGADRP C[C@@H]1CCCC[C@@H]1C[NH+]1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000183015181 495799400 /nfs/dbraw/zinc/79/94/00/495799400.db2.gz XHJDSQWXMGUHKO-IEBWSBKVSA-N 2 0 351.579 3.229 20 0 FGADRP Cc1nc(Cc2ccccc2)sc1[C@H](C)[NH2+][C@@H](C)CN1CC[NH+](C)CC1 ZINC000155037989 495812331 /nfs/dbraw/zinc/81/23/31/495812331.db2.gz OWMMWFQUDJUTMD-IRXDYDNUSA-N 2 0 372.582 3.329 20 0 FGADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H]1CCCSc2ccc(Cl)cc21 ZINC000155051456 495818296 /nfs/dbraw/zinc/81/82/96/495818296.db2.gz VIDOZRNXVGTSOT-RHSMWYFYSA-N 2 0 353.963 3.493 20 0 FGADRP CC(C)C(=O)N1CCC([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC000180106957 495861421 /nfs/dbraw/zinc/86/14/21/495861421.db2.gz NTWYLAXLAOPVTC-FRIKZZABSA-N 2 0 369.553 3.419 20 0 FGADRP COc1ccccc1-c1ccc(C[NH2+]CCCN2CC[NH+](C)CC2)cc1 ZINC000174248485 495881504 /nfs/dbraw/zinc/88/15/04/495881504.db2.gz CSHKZALOMNLTNU-UHFFFAOYSA-N 2 0 353.510 3.089 20 0 FGADRP CC[C@H](C(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1)[N@H+](C)Cc1ccccc1 ZINC000568937008 505812157 /nfs/dbraw/zinc/81/21/57/505812157.db2.gz POWRCPNSWVKBTC-NHCUHLMSSA-N 2 0 357.542 3.374 20 0 FGADRP C[C@@H]1C[N@@H+](CCCC[NH2+]Cc2c[nH]nc2-c2ccccc2F)C[C@H](C)O1 ZINC000151780286 495945057 /nfs/dbraw/zinc/94/50/57/495945057.db2.gz LUUHUOBMQSSUSZ-IYBDPMFKSA-N 2 0 360.477 3.195 20 0 FGADRP C[C@@H]([NH2+]Cc1ccc(C[S@@](C)=O)cc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000571785108 505815085 /nfs/dbraw/zinc/81/50/85/505815085.db2.gz AHRMQUFYAFABFC-WGDIFIGCSA-N 2 0 374.550 3.356 20 0 FGADRP C[C@@H]([NH2+]CCCN1CC[NH+](Cc2ccccc2)CC1)c1cncc(F)c1 ZINC000151912944 495990355 /nfs/dbraw/zinc/99/03/55/495990355.db2.gz GZKPJKCINRAYAI-GOSISDBHSA-N 2 0 356.489 3.079 20 0 FGADRP C[NH+](C)CCOc1ccccc1C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000177265599 496000678 /nfs/dbraw/zinc/00/06/78/496000678.db2.gz YDRCBSPKACPQTH-UHFFFAOYSA-N 2 0 373.541 3.154 20 0 FGADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H](C)c2cc(C)ccc2OC(F)F)CC1 ZINC000155581484 496002449 /nfs/dbraw/zinc/00/24/49/496002449.db2.gz CLVOWCZRANWIAB-JKSUJKDBSA-N 2 0 355.473 3.273 20 0 FGADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H](C)c2ccc(F)c(Br)c2)CC1 ZINC000155584646 496003420 /nfs/dbraw/zinc/00/34/20/496003420.db2.gz YVZONMXUCGNYPA-UONOGXRCSA-N 2 0 372.326 3.265 20 0 FGADRP C[C@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)c1ccc(Br)cc1 ZINC000177298314 496010403 /nfs/dbraw/zinc/01/04/03/496010403.db2.gz YLJUUSPNFXFZFE-HNNXBMFYSA-N 2 0 368.363 3.373 20 0 FGADRP C[C@H]1C[NH+](CC2CC[NH+](CCc3ccc(F)c(F)c3)CC2)C[C@H](C)O1 ZINC000152022605 496025006 /nfs/dbraw/zinc/02/50/06/496025006.db2.gz UYLVNXBWKHSJKS-HOTGVXAUSA-N 2 0 352.469 3.329 20 0 FGADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H](C)[C@@H](C)c2nc3ccccc3s2)CC1 ZINC000155655732 496026218 /nfs/dbraw/zinc/02/62/18/496026218.db2.gz XDWIWDYFSMHRIL-ZACQAIPSSA-N 2 0 360.571 3.404 20 0 FGADRP Cn1cc(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)c(-c2cccs2)n1 ZINC000180508884 496026347 /nfs/dbraw/zinc/02/63/47/496026347.db2.gz PPNYIPIURRMRKR-UHFFFAOYSA-N 2 0 374.554 3.225 20 0 FGADRP CC(C)[NH+]1CCC([NH2+][C@H](C)CC(=O)Nc2cccc(N3CCCC3)c2)CC1 ZINC000155664428 496028795 /nfs/dbraw/zinc/02/87/95/496028795.db2.gz BDFMRPRMBBZZLE-GOSISDBHSA-N 2 0 372.557 3.466 20 0 FGADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H]2CCc3ccc(OC(F)(F)F)cc32)CC1 ZINC000155755417 496057334 /nfs/dbraw/zinc/05/73/34/496057334.db2.gz JTNJPVVKIKJYQA-KBXCAEBGSA-N 2 0 371.447 3.188 20 0 FGADRP C[NH+]1CCC(C[NH2+]Cc2cn(-c3ccc(Cl)c(Cl)c3)nn2)CC1 ZINC000183733089 496096358 /nfs/dbraw/zinc/09/63/58/496096358.db2.gz SGTKUPOUSICSLP-UHFFFAOYSA-N 2 0 354.285 3.006 20 0 FGADRP C[C@H](C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000152392984 496136043 /nfs/dbraw/zinc/13/60/43/496136043.db2.gz FWFJOUMZIGYEFU-IPMKNSEASA-N 2 0 371.569 3.405 20 0 FGADRP C[C@H](NCC(=O)NC12CC3CC(CC(C3)C1)C2)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000571840956 505825371 /nfs/dbraw/zinc/82/53/71/505825371.db2.gz BKJLLCMYNFNYRO-GWZYHKFFSA-N 2 0 373.585 3.314 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCN(c3ccccc3)C2)[C@H](C)C1 ZINC000152518209 496175307 /nfs/dbraw/zinc/17/53/07/496175307.db2.gz SIJUPGRTGLNWNA-URVUXULASA-N 2 0 359.558 3.240 20 0 FGADRP Cc1nn(C)cc1[C@@H](C)[NH2+]Cc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000177751487 496182574 /nfs/dbraw/zinc/18/25/74/496182574.db2.gz SJXLYBDFYUEXAL-BRWVUGGUSA-N 2 0 356.514 3.189 20 0 FGADRP COc1ccc(C)cc1[C@H](C)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000177826664 496212910 /nfs/dbraw/zinc/21/29/10/496212910.db2.gz UGNSFTPKFGNDMY-KRWDZBQOSA-N 2 0 354.498 3.001 20 0 FGADRP CC[N@H+](C)C[C@H]1CCN(C(=O)NCC2([NH+]3CCCCC3)CCCCC2)C1 ZINC000177841799 496218842 /nfs/dbraw/zinc/21/88/42/496218842.db2.gz OJBLLMXVFMBIDO-LJQANCHMSA-N 2 0 364.578 3.158 20 0 FGADRP Cc1c(Br)cccc1C[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000180956963 496218943 /nfs/dbraw/zinc/21/89/43/496218943.db2.gz HMLQQGAWWBPDHU-UHFFFAOYSA-N 2 0 368.363 3.215 20 0 FGADRP CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+]CCC[NH+]2CCC(C)CC2)cc1 ZINC000161782558 496237280 /nfs/dbraw/zinc/23/72/80/496237280.db2.gz WOVUDJBGPPPRLZ-KRWDZBQOSA-N 2 0 367.559 3.221 20 0 FGADRP Cc1cnccc1C[NH2+]CCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000571867204 505832620 /nfs/dbraw/zinc/83/26/20/505832620.db2.gz HMEVGIHBNVOKQQ-UHFFFAOYSA-N 2 0 352.526 3.078 20 0 FGADRP O=C([C@H]1CCC[N@H+](Cc2ccccc2)C1)N1CCC[NH+](C2CCCC2)CC1 ZINC000172418015 496289169 /nfs/dbraw/zinc/28/91/69/496289169.db2.gz RLZQDMZONDAMCR-NRFANRHFSA-N 2 0 369.553 3.376 20 0 FGADRP COc1ccc(C[C@H](C)[NH2+]CCCC[NH+]2C[C@@H](C)O[C@H](C)C2)cc1OC ZINC000178037849 496299333 /nfs/dbraw/zinc/29/93/33/496299333.db2.gz VOHQKRUNAVKFIL-RCCFBDPRSA-N 2 0 364.530 3.114 20 0 FGADRP O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000178075591 496317883 /nfs/dbraw/zinc/31/78/83/496317883.db2.gz QOWMSJDRMPUPQJ-PKOBYXMFSA-N 2 0 359.514 3.187 20 0 FGADRP CCC[NH+]1CCN(c2ccccc2C[NH2+][C@@H]2CCO[C@H](C3CC3)C2)CC1 ZINC000156848870 496347395 /nfs/dbraw/zinc/34/73/95/496347395.db2.gz UZNIANJRZBINJG-IRLDBZIGSA-N 2 0 357.542 3.266 20 0 FGADRP C[NH+](C)Cc1cccc(C(=O)NCC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000172618188 496365678 /nfs/dbraw/zinc/36/56/78/496365678.db2.gz OLUWNDCSOPUVDF-UHFFFAOYSA-N 2 0 365.521 3.390 20 0 FGADRP C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)c1cccc(C[NH+](C)C)c1 ZINC000172717936 496400571 /nfs/dbraw/zinc/40/05/71/496400571.db2.gz GMSRMFCDVNOPJB-UHFFFAOYSA-N 2 0 357.473 3.091 20 0 FGADRP CN(C(=O)c1cccc(C[NH+](C)Cc2ccccc2)c1)[C@@H]1CCC[N@H+](C)C1 ZINC000172749547 496414714 /nfs/dbraw/zinc/41/47/14/496414714.db2.gz MLVBDLNIHYSUML-JOCHJYFZSA-N 2 0 365.521 3.485 20 0 FGADRP CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)N(C)CC1CC[NH+](C)CC1 ZINC000184556037 496437365 /nfs/dbraw/zinc/43/73/65/496437365.db2.gz RGZBTMFHGVBJLW-OAQYLSRUSA-N 2 0 374.573 3.126 20 0 FGADRP C[NH+](C)CCCC1CCN(C(=O)NC2CC[NH+](C3CCCC3)CC2)CC1 ZINC000163082552 496461907 /nfs/dbraw/zinc/46/19/07/496461907.db2.gz XGETVQYUWKBRSI-UHFFFAOYSA-N 2 0 364.578 3.157 20 0 FGADRP Brc1cccc(C2([NH2+]CC[C@@H]3CC[NH2+]C3)CCOCC2)c1 ZINC000574744059 505845800 /nfs/dbraw/zinc/84/58/00/505845800.db2.gz ABESQWGPGHRJPD-AWEZNQCLSA-N 2 0 353.304 3.044 20 0 FGADRP C[C@@H]([NH2+]C[C@@H]1CCN(CC(F)(F)F)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000163126642 496468657 /nfs/dbraw/zinc/46/86/57/496468657.db2.gz AUDFKFDGRFFGOZ-CVEARBPZSA-N 2 0 373.463 3.162 20 0 FGADRP C[C@@H](CCNC(=O)N1CCC([NH+]2CCCC2)CC1)[N@H+](C)Cc1ccccc1 ZINC000175637628 496476813 /nfs/dbraw/zinc/47/68/13/496476813.db2.gz PBORMXBOQZPXAS-IBGZPJMESA-N 2 0 372.557 3.167 20 0 FGADRP C[C@H](CCNC(=O)N1CCC(CC[NH+](C)C)CC1)[N@H+](C)Cc1ccccc1 ZINC000175647267 496482941 /nfs/dbraw/zinc/48/29/41/496482941.db2.gz IKRCVFVPLXRAOP-LJQANCHMSA-N 2 0 374.573 3.270 20 0 FGADRP CCOc1cccc2cc([C@@H](C)[NH2+]C[C@H](C)CN3CC[NH+](C)CC3)oc21 ZINC000181689688 496504285 /nfs/dbraw/zinc/50/42/85/496504285.db2.gz HIEKILCHFHRJIY-DLBZAZTESA-N 2 0 359.514 3.366 20 0 FGADRP C[C@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)c1ccc(Br)cc1 ZINC000578049800 505849365 /nfs/dbraw/zinc/84/93/65/505849365.db2.gz DNQRHERFAYSNTB-AWEZNQCLSA-N 2 0 354.336 3.126 20 0 FGADRP CC[C@H]([NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1)c1cccs1 ZINC000163514572 496526607 /nfs/dbraw/zinc/52/66/07/496526607.db2.gz PPDYJLROSDHOFL-INIZCTEOSA-N 2 0 351.560 3.416 20 0 FGADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)NCc2ccccc2C[NH+]2CCCC2)[C@H](C)C1 ZINC000178688893 496541839 /nfs/dbraw/zinc/54/18/39/496541839.db2.gz YNLMKFFXGKSTJT-WIYYLYMNSA-N 2 0 372.557 3.154 20 0 FGADRP [NH3+][C@H]1CCCCCC[C@@H]1C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000178688783 496542194 /nfs/dbraw/zinc/54/21/94/496542194.db2.gz GXIRGBHHKMWQKD-SFTDATJTSA-N 2 0 357.542 3.107 20 0 FGADRP O=C1Nc2ccccc2C12CCC([NH2+]CCCNc1ccccn1)CC2 ZINC000163853846 496564869 /nfs/dbraw/zinc/56/48/69/496564869.db2.gz CWUCEZOZBWUAMH-UHFFFAOYSA-N 2 0 350.466 3.306 20 0 FGADRP CC1CC[NH+](Cc2ccc(NC(=O)[C@H]([NH3+])Cc3ccccc3)cc2)CC1 ZINC000164558189 496619777 /nfs/dbraw/zinc/61/97/77/496619777.db2.gz UMAMSKVWIMBILG-OAQYLSRUSA-N 2 0 351.494 3.427 20 0 FGADRP C[C@@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000158110135 496629418 /nfs/dbraw/zinc/62/94/18/496629418.db2.gz SUCZGGPPRIMPOF-KBPBESRZSA-N 2 0 357.420 3.354 20 0 FGADRP C[NH+](C)[C@H]1CCC[C@@H](NC(=O)NCC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000175997337 496636548 /nfs/dbraw/zinc/63/65/48/496636548.db2.gz WSEXSKGMTQHRIZ-RTWAWAEBSA-N 2 0 372.557 3.071 20 0 FGADRP C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)N(C)CC[NH+](C)C3CC3)cc2)C1 ZINC000185125328 496671806 /nfs/dbraw/zinc/67/18/06/496671806.db2.gz BUSGOBADEISDLW-SFHVURJKSA-N 2 0 372.557 3.154 20 0 FGADRP CC(C)[N@H+](C)Cc1cccc(CNC(=O)[C@@H]2[NH2+]CCc3ccccc32)c1 ZINC000166001326 496675207 /nfs/dbraw/zinc/67/52/07/496675207.db2.gz IEAKPUYBNOTRKI-OAQYLSRUSA-N 2 0 351.494 3.030 20 0 FGADRP CCO[C@@H](CC[NH+](C)C)C[NH2+]C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000166005782 496675438 /nfs/dbraw/zinc/67/54/38/496675438.db2.gz CVSVISSONJPYPG-FQEVSTJZSA-N 2 0 367.965 3.251 20 0 FGADRP CC[C@H](C)[N@H+](C)CCNC(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000176100989 496683587 /nfs/dbraw/zinc/68/35/87/496683587.db2.gz YURUXXHLPVLDOG-SFHVURJKSA-N 2 0 360.546 3.023 20 0 FGADRP C[C@@H]([NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1)c1ccc(Cl)nc1 ZINC000179132949 496686428 /nfs/dbraw/zinc/68/64/28/496686428.db2.gz PBCZIFZETQSDRY-MRXNPFEDSA-N 2 0 350.938 3.336 20 0 FGADRP CC1CC[NH+](Cc2cccc(CNC(=O)[C@@H]([NH3+])Cc3ccccc3)c2)CC1 ZINC000166420836 496686812 /nfs/dbraw/zinc/68/68/12/496686812.db2.gz QODNUGWBXXLKAH-QFIPXVFZSA-N 2 0 365.521 3.105 20 0 FGADRP [NH3+][C@@H](Cc1ccccc1)C(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000166413759 496687053 /nfs/dbraw/zinc/68/70/53/496687053.db2.gz IZOBVWUKYZEEAA-QFIPXVFZSA-N 2 0 365.521 3.249 20 0 FGADRP C[NH+](C)CCOc1cc(C[NH2+][C@@H]2CCCOc3cc(F)ccc32)ccn1 ZINC000182173716 496697343 /nfs/dbraw/zinc/69/73/43/496697343.db2.gz XTSCBPZZCOQANN-GOSISDBHSA-N 2 0 359.445 3.165 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc2[nH]c(C)cc2c1 ZINC000176139967 496700655 /nfs/dbraw/zinc/70/06/55/496700655.db2.gz PWIINVZTKPXCMX-IBGZPJMESA-N 2 0 371.529 3.356 20 0 FGADRP C[C@H](NC(C)(C)C[NH2+][C@@H](C)c1ccc(-n2cnnn2)cc1)c1ccccc1 ZINC000167874380 496707372 /nfs/dbraw/zinc/70/73/72/496707372.db2.gz IOPFFDXOXYKHRY-IRXDYDNUSA-N 2 0 364.497 3.442 20 0 FGADRP CC(C)n1cc([C@@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H]2CO)cn1 ZINC000182248893 496719799 /nfs/dbraw/zinc/71/97/99/496719799.db2.gz USIUJNQYVQCUAA-DYESRHJHSA-N 2 0 356.514 3.272 20 0 FGADRP COc1ccc(C)cc1[C@@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000182257530 496721623 /nfs/dbraw/zinc/72/16/23/496721623.db2.gz MKSAHVGGHYTLSY-XLIONFOSSA-N 2 0 354.494 3.421 20 0 FGADRP CC(=O)Nc1ccc([C@@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000182267836 496723649 /nfs/dbraw/zinc/72/36/49/496723649.db2.gz WDEJDLNZLODMRA-ZHRRBRCNSA-N 2 0 367.493 3.062 20 0 FGADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](O)COc2cccc(Cl)c2Cl)[C@@H](C)C1 ZINC000246974011 496740067 /nfs/dbraw/zinc/74/00/67/496740067.db2.gz JGZRJZKZGWXTPN-YDHLFZDLSA-N 2 0 361.313 3.053 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)NCC[NH+](C)C2CCCC2)C1 ZINC000246989878 496744865 /nfs/dbraw/zinc/74/48/65/496744865.db2.gz OAWBYIOBMRLNBC-RTBURBONSA-N 2 0 364.578 3.157 20 0 FGADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000246991902 496745770 /nfs/dbraw/zinc/74/57/70/496745770.db2.gz PHUIPEOOYXREOS-SFTDATJTSA-N 2 0 372.557 3.153 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C[C@H](O)COCc2cccs2)C1 ZINC000246993868 496745954 /nfs/dbraw/zinc/74/59/54/496745954.db2.gz OJWXLTDPNLAXIS-QYZOEREBSA-N 2 0 366.571 3.212 20 0 FGADRP CCC(C)(C)[NH2+][C@H](C)C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000273241818 496749855 /nfs/dbraw/zinc/74/98/55/496749855.db2.gz QIAOVNMWZWCOLE-CVEARBPZSA-N 2 0 351.560 3.243 20 0 FGADRP COCCN(C)c1ccc(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)cn1 ZINC000191419228 496756688 /nfs/dbraw/zinc/75/66/88/496756688.db2.gz WNZJCYGVPKATAY-UHFFFAOYSA-N 2 0 374.573 3.252 20 0 FGADRP COc1cc(C[N@H+](C)CCCN2CC[NH+](C(C)C)CC2)ccc1SC ZINC000191465461 496772466 /nfs/dbraw/zinc/77/24/66/496772466.db2.gz KCQYAGWECDTFJP-UHFFFAOYSA-N 2 0 365.587 3.265 20 0 FGADRP Cc1c([C@@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CC[C@H](O)C2)cnn1C(C)C ZINC000191492062 496781975 /nfs/dbraw/zinc/78/19/75/496781975.db2.gz ORNKXXLYYYCMJW-UZLBHIALSA-N 2 0 356.514 3.190 20 0 FGADRP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000273388565 496791358 /nfs/dbraw/zinc/79/13/58/496791358.db2.gz JLEMJUVXXLTECS-GOSISDBHSA-N 2 0 372.557 3.154 20 0 FGADRP COc1cc([C@@H](C)[NH2+]CCCC[N@@H+]2CCC[C@H]2CO)ccc1OC(F)F ZINC000268856063 496805394 /nfs/dbraw/zinc/80/53/94/496805394.db2.gz CWSKMYZFACVYML-ZBFHGGJFSA-N 2 0 372.456 3.184 20 0 FGADRP C[C@H]([NH2+]C[C@@H](CCO)c1ccccc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000268988771 496843726 /nfs/dbraw/zinc/84/37/26/496843726.db2.gz LWZDRVZLCLLJAQ-GHTZIAJQSA-N 2 0 356.510 3.444 20 0 FGADRP CCC[N@H+](C)C[C@@H]1CC[NH+](C[C@H](O)CO[C@H]2CCCc3ccccc32)C1 ZINC000247358879 496844439 /nfs/dbraw/zinc/84/44/39/496844439.db2.gz QEELZBBKESWTFJ-VCOUNFBDSA-N 2 0 360.542 3.105 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)C1 ZINC000247415911 496854476 /nfs/dbraw/zinc/85/44/76/496854476.db2.gz UAHNBQHJBSNBDZ-HSALFYBXSA-N 2 0 364.578 3.014 20 0 FGADRP CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+]C2CC[NH+](C3CCC3)CC2)cc1 ZINC000269056280 496861017 /nfs/dbraw/zinc/86/10/17/496861017.db2.gz WUVAGZIPOKRRBW-HNNXBMFYSA-N 2 0 365.543 3.116 20 0 FGADRP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+]2C[C@@H](C)CC[C@H]2C)CC1 ZINC000247491381 496871475 /nfs/dbraw/zinc/87/14/75/496871475.db2.gz KZASVHWUGLJGDY-PKOBYXMFSA-N 2 0 357.542 3.196 20 0 FGADRP C[C@H](CC(=O)N(CC[NH+](C)C)Cc1cccc(Cl)c1)[C@@H]1CCC[NH2+]C1 ZINC000574875320 505873671 /nfs/dbraw/zinc/87/36/71/505873671.db2.gz XUXUYUKMPSXWOA-SJLPKXTDSA-N 2 0 365.949 3.256 20 0 FGADRP C[C@H](C(=O)Nc1ccccc1OC(F)F)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000247960502 496933502 /nfs/dbraw/zinc/93/35/02/496933502.db2.gz GDOOZTSYRQKHEX-FMKPAKJESA-N 2 0 367.440 3.031 20 0 FGADRP C[C@@H]1CN(Cc2ccccn2)CC[C@H]1[NH2+]CCC[N@H+](C)Cc1ccccc1 ZINC000248040032 496945909 /nfs/dbraw/zinc/94/59/09/496945909.db2.gz SMLKGKFZYLOLQR-NFBKMPQASA-N 2 0 366.553 3.404 20 0 FGADRP C[C@H](CCc1ccco1)[NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000248199146 496972167 /nfs/dbraw/zinc/97/21/67/496972167.db2.gz YBFZWQPYUDGUIM-YLJYHZDGSA-N 2 0 369.509 3.088 20 0 FGADRP CC(C)[NH+]1CCC([NH2+]C2CCC(N3C(=O)c4ccccc4C3=O)CC2)CC1 ZINC000189006802 496976047 /nfs/dbraw/zinc/97/60/47/496976047.db2.gz XGXGGOWGPXNLNS-UHFFFAOYSA-N 2 0 369.509 3.056 20 0 FGADRP C[C@H](Cn1cc(Br)cn1)[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248408712 496999087 /nfs/dbraw/zinc/99/90/87/496999087.db2.gz VTWQACFITYZNRJ-ILXRZTDVSA-N 2 0 369.351 3.277 20 0 FGADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000248410508 497001405 /nfs/dbraw/zinc/00/14/05/497001405.db2.gz XZVGXXMNMQEQLW-BXXSPATCSA-N 3 0 373.585 3.234 20 0 FGADRP CN(C)[C@H](C[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12)c1ccco1 ZINC000248412954 497002799 /nfs/dbraw/zinc/00/27/99/497002799.db2.gz KLENGEUVPGBRHN-XRXFAXGQSA-N 2 0 353.510 3.383 20 0 FGADRP C[NH+](C)CCC1CCN(C(=O)C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000264902134 497008168 /nfs/dbraw/zinc/00/81/68/497008168.db2.gz LPPGIRATZQLYJG-UHFFFAOYSA-N 2 0 357.542 3.089 20 0 FGADRP C[NH+]1CCC([C@H]2CCN(C(=O)C3CC[NH+](Cc4ccccc4)CC3)C2)CC1 ZINC000270272426 497090966 /nfs/dbraw/zinc/09/09/66/497090966.db2.gz UATBVEMVXNRODN-QFIPXVFZSA-N 2 0 369.553 3.089 20 0 FGADRP C[C@H]1C[C@@H](CCNC(=O)N2CCC(CC[NH3+])CC2)C[N@@H+]1Cc1ccccc1 ZINC000569231014 505884807 /nfs/dbraw/zinc/88/48/07/505884807.db2.gz ZUPNWPXKJQJXLP-GHTZIAJQSA-N 2 0 372.557 3.058 20 0 FGADRP C[NH2+]CCCN(C)Cc1ccc(Br)c(Br)c1 ZINC000234369362 497112058 /nfs/dbraw/zinc/11/20/58/497112058.db2.gz XYZGUKQXGIFTAE-UHFFFAOYSA-N 2 0 350.098 3.253 20 0 FGADRP C[C@@H](CC[NH2+]C[C@H](O)COCc1ccccc1Cl)[NH+]1CCCCC1 ZINC000569233012 505885581 /nfs/dbraw/zinc/88/55/81/505885581.db2.gz RWWZRIDDDVGKAQ-WMZOPIPTSA-N 2 0 354.922 3.072 20 0 FGADRP CC(C)(CNC(=O)CC[C@H]([NH3+])c1ccccc1)[N@@H+]1CCc2ccccc2C1 ZINC000236650279 497126442 /nfs/dbraw/zinc/12/64/42/497126442.db2.gz BOHYBWNPRSJAEJ-NRFANRHFSA-N 2 0 365.521 3.420 20 0 FGADRP CC(C)[C@@H](CNC(=O)C[C@@H]([NH3+])c1ccccc1)[N@@H+]1CCc2ccccc2C1 ZINC000236681833 497132121 /nfs/dbraw/zinc/13/21/21/497132121.db2.gz RLOASTBZRFSCAT-FGZHOGPDSA-N 2 0 365.521 3.276 20 0 FGADRP C[C@H]1C[C@H](NC(=O)[C@](C)([NH3+])c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000192528690 497141231 /nfs/dbraw/zinc/14/12/31/497141231.db2.gz DJRUDMLDWULRNM-UCNVEGJOSA-N 2 0 351.494 3.030 20 0 FGADRP Cc1cccc(OC[C@H](O)C[NH2+][C@H]2CCN(C)[C@@H](c3ccccc3)C2)c1 ZINC000569242991 505887400 /nfs/dbraw/zinc/88/74/00/505887400.db2.gz FVTPIUMUYVYPAF-TUNNFDKTSA-N 2 0 354.494 3.160 20 0 FGADRP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)C2CC[NH+](C3CC3)CC2)CC1 ZINC000192557854 497149121 /nfs/dbraw/zinc/14/91/21/497149121.db2.gz ZRZGFBGCEGBBFY-QGZVFWFLSA-N 2 0 355.526 3.203 20 0 FGADRP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@H](C[NH3+])c1ccccc1 ZINC000236895423 497165057 /nfs/dbraw/zinc/16/50/57/497165057.db2.gz JRKPMAMXBSMTOU-IRLDBZIGSA-N 2 0 365.521 3.100 20 0 FGADRP CCOc1ccc(C[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H]2CO)cc1F ZINC000278612408 497167424 /nfs/dbraw/zinc/16/74/24/497167424.db2.gz DALPGHXBJCBSNW-HXUWFJFHSA-N 2 0 372.484 3.471 20 0 FGADRP Cc1cccc(N2CC[NH+](CCCC[NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)c1 ZINC000192638045 497172275 /nfs/dbraw/zinc/17/22/75/497172275.db2.gz GDNRHGVDMUHTOU-FRIKZZABSA-N 3 0 370.585 3.112 20 0 FGADRP CC[NH+]1CCN(c2ccc(NC(=O)C[C@@H](C)C3CC[NH2+]CC3)c(C)c2)CC1 ZINC000237009464 497180027 /nfs/dbraw/zinc/18/00/27/497180027.db2.gz OHQBJAXALHPEHR-QGZVFWFLSA-N 2 0 372.557 3.101 20 0 FGADRP C[C@H](c1ccccc1)[C@H](C)[NH2+]CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000249350663 497194091 /nfs/dbraw/zinc/19/40/91/497194091.db2.gz PMVHAKQWOABOCL-BBTUJRGHSA-N 2 0 353.510 3.187 20 0 FGADRP CC(C)[NH+]1CCN(CCC[N@H+](C)CCCOc2ccc(Cl)cc2)CC1 ZINC000192723973 497195755 /nfs/dbraw/zinc/19/57/55/497195755.db2.gz VXUOUOWOPPRDJK-UHFFFAOYSA-N 2 0 367.965 3.457 20 0 FGADRP Fc1ccc(Cn2cc(C[NH+]3CCC(C[NH+]4CCCC4)CC3)cn2)cc1 ZINC000189658584 497198832 /nfs/dbraw/zinc/19/88/32/497198832.db2.gz SMCKUUBKKNTOJK-UHFFFAOYSA-N 2 0 356.489 3.378 20 0 FGADRP CC(C)[NH+]1CCN(CCC[N@@H+]2[C@H](C)CO[C@H](c3ccccc3)[C@@H]2C)CC1 ZINC000192738702 497200413 /nfs/dbraw/zinc/20/04/13/497200413.db2.gz OMUZSQKTERXZIM-URVUXULASA-N 2 0 359.558 3.253 20 0 FGADRP C[C@@H]([NH3+])c1ccc(C(=O)Nc2cccc(C[NH+]3CCC(CO)CC3)c2)cc1 ZINC000581014200 505890977 /nfs/dbraw/zinc/89/09/77/505890977.db2.gz RDHCLEFHVFZLAH-MRXNPFEDSA-N 2 0 367.493 3.163 20 0 FGADRP CCOc1ccc(C[NH2+]Cc2ccccc2C[N@@H+]2CC[C@@H](O)C2)cc1F ZINC000278741884 497205682 /nfs/dbraw/zinc/20/56/82/497205682.db2.gz MNKUZULOZGIQOW-LJQANCHMSA-N 2 0 358.457 3.081 20 0 FGADRP COc1ccc([C@H](CNC(=O)[C@@H]2CCCCCC[C@@H]2[NH3+])[NH+]2CCCC2)cc1 ZINC000237326088 497220375 /nfs/dbraw/zinc/22/03/75/497220375.db2.gz KJPSDJSXYGKSMK-HKBOAZHASA-N 2 0 373.541 3.246 20 0 FGADRP CC(C)[NH+]1CCN(CCC[NH2+][C@H]2CCO[C@H]2c2ccc(Cl)cc2)CC1 ZINC000192848446 497229621 /nfs/dbraw/zinc/22/96/21/497229621.db2.gz PRQBQEWWNUODCK-PMACEKPBSA-N 2 0 365.949 3.176 20 0 FGADRP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@@H]2[NH2+]CCc3ccccc32)CC1 ZINC000237455453 497239870 /nfs/dbraw/zinc/23/98/70/497239870.db2.gz YINFYBXZHDMEGL-VGOFRKELSA-N 2 0 363.505 3.215 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1N(C)C(=O)CCC1CC[NH2+]CC1 ZINC000237512642 497249189 /nfs/dbraw/zinc/24/91/89/497249189.db2.gz KCMRRUKLJLUGIA-NQIIRXRSSA-N 2 0 357.542 3.135 20 0 FGADRP c1ccc(C[N@H+]2CC[C@H](C[NH2+]Cc3ccccc3N3CCOCC3)C2)cc1 ZINC000192934413 497250869 /nfs/dbraw/zinc/25/08/69/497250869.db2.gz WZNUBUJMYLKXBI-OAQYLSRUSA-N 2 0 365.521 3.135 20 0 FGADRP CC(C)(C)C(=O)N1CCC([NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000192932951 497251111 /nfs/dbraw/zinc/25/11/11/497251111.db2.gz ZRUXUNMVOKRYIA-IBGZPJMESA-N 2 0 357.542 3.135 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N2CC[C@@H](C[NH+](C)C)C2)cc1 ZINC000275229631 497260615 /nfs/dbraw/zinc/26/06/15/497260615.db2.gz JGEAGJZDMFYEKC-NQIIRXRSSA-N 2 0 372.557 3.154 20 0 FGADRP Cc1cc(NC(=O)[C@@H]([NH3+])c2ccccc2)ccc1OCC[NH+]1CCCC1 ZINC000237715798 497280971 /nfs/dbraw/zinc/28/09/71/497280971.db2.gz YJAAIXGLTQTMDQ-FQEVSTJZSA-N 2 0 353.466 3.108 20 0 FGADRP COc1ccc2oc(C[NH+]3CCC(N4CC[NH+](C(C)C)CC4)CC3)cc2c1 ZINC000271228939 497295859 /nfs/dbraw/zinc/29/58/59/497295859.db2.gz SNXXXCDCVOIURI-UHFFFAOYSA-N 2 0 371.525 3.432 20 0 FGADRP C[C@H]([NH2+][C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)c1ccc2ccccc2c1 ZINC000574981436 505897573 /nfs/dbraw/zinc/89/75/73/505897573.db2.gz IGVLKCFBEQHIRT-GNSUPJDDSA-N 2 0 351.494 3.137 20 0 FGADRP O=C(NCc1ccccc1C[NH+]1CCCCC1)[C@@H]1[NH2+]CCc2ccccc21 ZINC000238029696 497330568 /nfs/dbraw/zinc/33/05/68/497330568.db2.gz IUPQHNORYFHECF-JOCHJYFZSA-N 2 0 363.505 3.176 20 0 FGADRP CCN(CCC[NH+]1CCCC1)C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000190094059 497354467 /nfs/dbraw/zinc/35/44/67/497354467.db2.gz PXOMCETXMKLCIC-OAQYLSRUSA-N 2 0 372.557 3.341 20 0 FGADRP CC(=O)Nc1ccc(C[NH2+][C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000279212708 497369736 /nfs/dbraw/zinc/36/97/36/497369736.db2.gz YIBFROMDEBBCAO-OXJNMPFZSA-N 2 0 352.482 3.040 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)NC[C@H](Cc1ccccc1)[NH+](C)C ZINC000255839618 497375920 /nfs/dbraw/zinc/37/59/20/497375920.db2.gz AXENATINCZPQNG-CTNGQTDRSA-N 2 0 374.573 3.113 20 0 FGADRP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@H]2O)CC1)c1cccc(OC(F)F)c1 ZINC000271537339 497376124 /nfs/dbraw/zinc/37/61/24/497376124.db2.gz SCWQHHNUHDHYRK-DOPJRALCSA-N 2 0 354.441 3.316 20 0 FGADRP C[C@H](C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000245202827 497376878 /nfs/dbraw/zinc/37/68/78/497376878.db2.gz WEKIVBSDYSCBAC-IXDOHACOSA-N 2 0 361.505 3.168 20 0 FGADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCCC[NH+]2Cc2ccccc2)C1 ZINC000245439031 497406028 /nfs/dbraw/zinc/40/60/28/497406028.db2.gz SMPNXZSLEAKSQP-NHCUHLMSSA-N 2 0 357.542 3.231 20 0 FGADRP C[C@H](C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1)[C@H]([NH3+])c1ccccc1 ZINC000261561291 497415865 /nfs/dbraw/zinc/41/58/65/497415865.db2.gz RLGVHIYXIWBGPU-YYWHXJBOSA-N 2 0 351.494 3.103 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)NC1CC[NH+](CC2CC2)CC1)c1ccccc1 ZINC000193619006 497428991 /nfs/dbraw/zinc/42/89/91/497428991.db2.gz XETPTVDRBPWZFT-NRFANRHFSA-N 2 0 372.557 3.243 20 0 FGADRP Cc1cc(N2CCC([NH2+][C@H](C)[C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)n[nH]1 ZINC000275814953 497437832 /nfs/dbraw/zinc/43/78/32/497437832.db2.gz CZBTZUGGGYZAAZ-QUCCMNQESA-N 2 0 367.541 3.187 20 0 FGADRP C[NH+](Cc1cccc(C[N@@H+](C)[C@H]2CC[C@H](O)CC2)c1)[C@H]1CC[C@H](O)CC1 ZINC000275811491 497438362 /nfs/dbraw/zinc/43/83/62/497438362.db2.gz IDJDSKUMNHBQRL-CHDDOINTSA-N 2 0 360.542 3.157 20 0 FGADRP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000245590046 497467593 /nfs/dbraw/zinc/46/75/93/497467593.db2.gz AXPLSDPLZIVPIS-OPYAIIAOSA-N 2 0 372.557 3.336 20 0 FGADRP C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000190426760 497474909 /nfs/dbraw/zinc/47/49/09/497474909.db2.gz QAOZMJFWGJJUHZ-SFTDATJTSA-N 2 0 369.553 3.231 20 0 FGADRP O=C(CC[C@H]1CC[NH2+]C1)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000261930461 497478932 /nfs/dbraw/zinc/47/89/32/497478932.db2.gz YVWGQFPKKUQSPZ-INIZCTEOSA-N 2 0 363.933 3.058 20 0 FGADRP c1ccc(CC[N@@H+]2CC[C@H](C[NH2+][C@@H]3[C@H]4CCO[C@@H]4C34CCCC4)C2)cc1 ZINC000245641906 497484258 /nfs/dbraw/zinc/48/42/58/497484258.db2.gz XTSJLGMJHIWRGA-YSFYHYPLSA-N 2 0 354.538 3.488 20 0 FGADRP O[C@H](C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)Cc1ccccc1 ZINC000245671742 497494640 /nfs/dbraw/zinc/49/46/40/497494640.db2.gz HLPWQAVQHNQLMJ-BJESRGMDSA-N 2 0 350.506 3.375 20 0 FGADRP O[C@H](C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)Cc1ccccc1 ZINC000245671749 497495677 /nfs/dbraw/zinc/49/56/77/497495677.db2.gz HLPWQAVQHNQLMJ-GPJHCHHRSA-N 2 0 350.506 3.375 20 0 FGADRP NC(=O)c1cccc(CC[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c1 ZINC000245692167 497503809 /nfs/dbraw/zinc/50/38/09/497503809.db2.gz KLLYGVSVRQBBMV-DKUWSORSSA-N 2 0 363.505 3.113 20 0 FGADRP Cc1nccn1CCC[N@@H+](C)[C@@H](C)C(=O)N[C@H](C)c1ccc(Cl)cc1 ZINC000245739246 497522639 /nfs/dbraw/zinc/52/26/39/497522639.db2.gz XAKOLSHWILWXEJ-CABCVRRESA-N 2 0 362.905 3.433 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@H](O)c2ccc(F)cc2Cl)[C@@H](C)C1 ZINC000276279236 497534770 /nfs/dbraw/zinc/53/47/70/497534770.db2.gz UABAXDJNDMIXRY-ZOCIIQOWSA-N 2 0 372.912 3.239 20 0 FGADRP Clc1ccc(Cl)c(SCC[N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)c1 ZINC000262442069 497557117 /nfs/dbraw/zinc/55/71/17/497557117.db2.gz GVNHBEPEYHBGMV-AWEZNQCLSA-N 2 0 360.354 3.065 20 0 FGADRP c1c[nH]c([C@@H]2CCC[NH+](CCCCC[N@@H+]3CCC[C@H](c4ncc[nH]4)C3)C2)n1 ZINC000267462433 497558351 /nfs/dbraw/zinc/55/83/51/497558351.db2.gz VMKPBDYVCGKNOD-KDURUIRLSA-N 2 0 370.545 3.362 20 0 FGADRP O=C([C@H]1CCC[N@@H+]1Cc1ccccc1)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000245917118 497570295 /nfs/dbraw/zinc/57/02/95/497570295.db2.gz LDXNMQYVUMPWRJ-NHCUHLMSSA-N 2 0 355.526 3.128 20 0 FGADRP C[C@H](CC(=O)N(C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1)[C@H]1CCC[NH2+]C1 ZINC000262668628 497596306 /nfs/dbraw/zinc/59/63/06/497596306.db2.gz QRTPNLOPWCHXCQ-HLAWJBBLSA-N 2 0 357.542 3.135 20 0 FGADRP Cc1ccc([C@H]([NH3+])C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC000262666838 497596325 /nfs/dbraw/zinc/59/63/25/497596325.db2.gz PSZGLWHJHARPKG-NRFANRHFSA-N 2 0 351.494 3.297 20 0 FGADRP C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000262673558 497597042 /nfs/dbraw/zinc/59/70/42/497597042.db2.gz PZVZZYKIRBGDDJ-ARNIEWOOSA-N 2 0 369.553 3.455 20 0 FGADRP CC(C)[NH+](CCCNC(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1)C(C)C ZINC000194219321 497605454 /nfs/dbraw/zinc/60/54/54/497605454.db2.gz DFAXFPZPNXAMRZ-OAQYLSRUSA-N 2 0 374.573 3.317 20 0 FGADRP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)C1 ZINC000246105512 497622801 /nfs/dbraw/zinc/62/28/01/497622801.db2.gz HLTRJFBQCNJVOW-VAMGGRTRSA-N 2 0 366.594 3.260 20 0 FGADRP C[C@H]([NH2+]CC1(C)CC[NH+](C)CC1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000272485826 497641062 /nfs/dbraw/zinc/64/10/62/497641062.db2.gz BRFKZELKCVLPMQ-ZDUSSCGKSA-N 2 0 360.470 3.065 20 0 FGADRP CC(C)[NH2+]C1CCN(C(=O)N[C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000272532341 497653963 /nfs/dbraw/zinc/65/39/63/497653963.db2.gz OXZDRZCCSABTGM-UYAOXDASSA-N 2 0 372.557 3.069 20 0 FGADRP C[NH+](C)CCN(C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1)C1CCCC1 ZINC000194410335 497657483 /nfs/dbraw/zinc/65/74/83/497657483.db2.gz OBMQSMAMANCZSB-HXUWFJFHSA-N 2 0 372.557 3.024 20 0 FGADRP C[NH+](C)Cc1ccsc1C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000268065943 497671390 /nfs/dbraw/zinc/67/13/90/497671390.db2.gz ATQBPOIKIDRKTE-UHFFFAOYSA-N 2 0 357.523 3.336 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N(C)[C@H]1CC[N@H+](CC)C[C@@H]1C)CC(C)C ZINC000246344386 497702166 /nfs/dbraw/zinc/70/21/66/497702166.db2.gz FBRQQOLRBNCJPM-FHWLQOOXSA-N 2 0 354.583 3.115 20 0 FGADRP C[C@@H]1CC[N@H+](CCOc2ccc(NC(=O)[C@@H]3CCCC[C@@]3(C)[NH3+])cc2)C1 ZINC000263122450 497710243 /nfs/dbraw/zinc/71/02/43/497710243.db2.gz BAWCILLNFXKSPI-LKUPVBHCSA-N 2 0 359.514 3.253 20 0 FGADRP CC(C)N(C(=O)CN1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)c1ccccc1 ZINC000246414082 497726321 /nfs/dbraw/zinc/72/63/21/497726321.db2.gz BROPXZGVKKOKFT-GHTZIAJQSA-N 2 0 355.526 3.377 20 0 FGADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)NC2CC[NH+](C3CCCCC3)CC2)[C@@H](C)C1 ZINC000246452126 497738241 /nfs/dbraw/zinc/73/82/41/497738241.db2.gz OLZQDQUVJBZPPC-FXAWDEMLSA-N 2 0 364.578 3.155 20 0 FGADRP CC(C)n1ncc2cc(CN3CC[C@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)cnc21 ZINC000246465609 497743461 /nfs/dbraw/zinc/74/34/61/497743461.db2.gz FRYBHIZMWPLKHV-PXNSSMCTSA-N 2 0 353.514 3.461 20 0 FGADRP CC[NH+](CC)CCN(Cc1ccccc1)C(=O)C[C@@H](C)C1CC[NH2+]CC1 ZINC000263299102 497753449 /nfs/dbraw/zinc/75/34/49/497753449.db2.gz YVGRAQDREFQGQT-LJQANCHMSA-N 2 0 359.558 3.383 20 0 FGADRP C[C@H](CC(=O)Nc1cccc(F)c1)[NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000246825634 497814118 /nfs/dbraw/zinc/81/41/18/497814118.db2.gz AEZNJUXZZSOCFY-ZACQAIPSSA-N 2 0 365.493 3.022 20 0 FGADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000246857310 497817140 /nfs/dbraw/zinc/81/71/40/497817140.db2.gz CKWVEEOBLHHPPQ-VQTJNVASSA-N 2 0 360.546 3.199 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)NC[C@H]1CCC[NH+](C)C1 ZINC000246860819 497817348 /nfs/dbraw/zinc/81/73/48/497817348.db2.gz CHUWHZFMXMZTSX-RTBURBONSA-N 2 0 372.557 3.202 20 0 FGADRP Cc1ccc(C)c(OC[C@H](O)C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c1C ZINC000246873954 497818096 /nfs/dbraw/zinc/81/80/96/497818096.db2.gz QEPAVTBGQSNNJQ-FCEUIQTBSA-N 2 0 372.553 3.300 20 0 FGADRP COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+]C[C@H](C(C)C)N2CC[NH+](C)CC2)cc1 ZINC000284597189 497838850 /nfs/dbraw/zinc/83/88/50/497838850.db2.gz ZZGROSYITKQECK-ZHNGQKSSSA-N 2 0 359.558 3.049 20 0 FGADRP CC(C)c1ccc([C@H]([NH3+])CNC(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)cc1 ZINC000572263224 505928701 /nfs/dbraw/zinc/92/87/01/505928701.db2.gz PRNLOMNKEAJFRX-WOJBJXKFSA-N 2 0 358.530 3.080 20 0 FGADRP COc1ccc(-c2nc(C)c([C@H](C)[NH2+]CCOCC[NH+](C)C)s2)cc1 ZINC000578425446 505936622 /nfs/dbraw/zinc/93/66/22/505936622.db2.gz YNIBILFUIJQHNJ-AWEZNQCLSA-N 2 0 363.527 3.356 20 0 FGADRP CN(CC1([NH+](C)C)CCC1)C(=O)[C@@H]1CCn2c(cnc2-c2ccccc2)C1 ZINC000364261702 497867960 /nfs/dbraw/zinc/86/79/60/497867960.db2.gz LIQZWSQTYQPVTF-GOSISDBHSA-N 2 0 366.509 3.055 20 0 FGADRP C[NH+](C)CCCOc1cnccc1C[NH2+]Cc1c[nH]nc1-c1ccccc1 ZINC000288699338 497873063 /nfs/dbraw/zinc/87/30/63/497873063.db2.gz YMHBBEBRIBBBIJ-UHFFFAOYSA-N 2 0 365.481 3.092 20 0 FGADRP c1nc2cnccn2c1C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000364431765 497954439 /nfs/dbraw/zinc/95/44/39/497954439.db2.gz FSYBCBBZLGDHPF-UHFFFAOYSA-N 2 0 361.493 3.217 20 0 FGADRP C[C@@H]([NH2+][C@@H]1CCN(CCN2CCOCC2)C1)c1ccc(-c2ccccc2)o1 ZINC000364455145 497966182 /nfs/dbraw/zinc/96/61/82/497966182.db2.gz DVCAMMZFCDBGRB-UYAOXDASSA-N 2 0 369.509 3.004 20 0 FGADRP CC(C)C[C@H](CNC(=O)N1CCC[C@@H](C[NH3+])C1)[NH2+][C@H](C)c1ccccc1 ZINC000581299839 505955814 /nfs/dbraw/zinc/95/58/14/505955814.db2.gz KFNPEMYGDXBDAS-WSTZPKSXSA-N 2 0 360.546 3.132 20 0 FGADRP C[NH+](C)[C@@H]1CCc2cc(NC(=O)N3CCc4ccccc4[C@@H]3C[NH3+])ccc21 ZINC000575311802 505958316 /nfs/dbraw/zinc/95/83/16/505958316.db2.gz YTMMPQFEVMUZQT-RTWAWAEBSA-N 2 0 364.493 3.326 20 0 FGADRP CC1(C)C(=O)N[C@@H]1C1CC[NH+](Cc2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC000581318746 505960781 /nfs/dbraw/zinc/96/07/81/505960781.db2.gz GVWKCTRNLWUFAB-OAQYLSRUSA-N 2 0 369.553 3.409 20 0 FGADRP C[N@@H+]1CCC[C@H](N2CCN(CCOc3ccc(Cl)cc3Cl)CC2)C1 ZINC000364547548 498016890 /nfs/dbraw/zinc/01/68/90/498016890.db2.gz RNJIFZOEWPEHPH-INIZCTEOSA-N 2 0 372.340 3.084 20 0 FGADRP CSC1(C[NH2+][C@H](c2cnn(C)c2)c2cccc(F)c2)CC[NH+](C)CC1 ZINC000581340448 505965208 /nfs/dbraw/zinc/96/52/08/505965208.db2.gz YBUGSDAABNRMQO-SFHVURJKSA-N 2 0 362.518 3.066 20 0 FGADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+][C@@H]2CC(=O)N3CCCC[C@@H]23)CC1 ZINC000575342951 505965620 /nfs/dbraw/zinc/96/56/20/505965620.db2.gz ZELCPNBDAYLUOR-VFUGHAIPSA-N 2 0 355.526 3.173 20 0 FGADRP OC1CC[NH+](Cc2ccc(C[NH2+][C@@H](c3cncc(F)c3)C3CC3)cc2)CC1 ZINC000281122813 498026998 /nfs/dbraw/zinc/02/69/98/498026998.db2.gz DKAFKGIGBIWTGP-JOCHJYFZSA-N 2 0 369.484 3.418 20 0 FGADRP C[C@@H]([NH2+]C1(CNC(=O)N2CCC[C@H](C[NH3+])C2)CCCC1)c1ccccc1 ZINC000575354345 505967021 /nfs/dbraw/zinc/96/70/21/505967021.db2.gz HFBLVVCTRWQLII-QZTJIDSGSA-N 2 0 358.530 3.030 20 0 FGADRP Cc1ccc(C[NH2+]C2CCC([N@H+](C)Cc3ccccc3)CC2)c(=O)n1C ZINC000285268054 498037613 /nfs/dbraw/zinc/03/76/13/498037613.db2.gz QQSYFBUEFKLVTG-UHFFFAOYSA-N 2 0 353.510 3.227 20 0 FGADRP C[NH+](C)Cc1ccc(C(=O)NC[C@H]2CC[N@H+](C)[C@H]2c2cccs2)cc1 ZINC000364618871 498052871 /nfs/dbraw/zinc/05/28/71/498052871.db2.gz AYOKRAGCTAETBS-IEBWSBKVSA-N 2 0 357.523 3.233 20 0 FGADRP CN1CC[NH+](CC2(C)CC[NH+](Cc3ccccc3OC(F)F)CC2)CC1 ZINC000364650036 498068273 /nfs/dbraw/zinc/06/82/73/498068273.db2.gz OELWEONUKYNMRK-UHFFFAOYSA-N 2 0 367.484 3.138 20 0 FGADRP C[C@H](O)c1ncc(C[NH2+]CC2CC[NH+](Cc3cccs3)CC2)s1 ZINC000289289089 498091877 /nfs/dbraw/zinc/09/18/77/498091877.db2.gz PLKWWOBOKAZTCL-ZDUSSCGKSA-N 2 0 351.541 3.260 20 0 FGADRP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)NC[C@@H]1CCC[NH+](C)[C@@H]1c1cccs1 ZINC000581403063 505980685 /nfs/dbraw/zinc/98/06/85/505980685.db2.gz ZCQPLXDXDVAXFE-RYRKJORJSA-N 2 0 366.575 3.159 20 0 FGADRP C[NH+](C)CC1CCN(c2ccccc2NC(=O)CC2CC[NH+](C)CC2)CC1 ZINC000292739607 498129317 /nfs/dbraw/zinc/12/93/17/498129317.db2.gz DXAAKBOFXYRGQY-UHFFFAOYSA-N 2 0 372.557 3.135 20 0 FGADRP Fc1ccc(CC[NH+]2CCC(CC[NH+]3CCOCC3)CC2)c(Cl)c1 ZINC000575631839 505985950 /nfs/dbraw/zinc/98/59/50/505985950.db2.gz AINFJWWQMCLBIC-UHFFFAOYSA-N 2 0 354.897 3.456 20 0 FGADRP C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[C@H]([NH3+])C2)[C@H]1c1cccc(Cl)c1 ZINC000364852683 498174094 /nfs/dbraw/zinc/17/40/94/498174094.db2.gz WAHMINZNKONXJQ-ZAWLATJESA-N 2 0 363.933 3.357 20 0 FGADRP C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[C@@H]([NH3+])C2)[C@@H]1c1cccc(Cl)c1 ZINC000364852682 498174131 /nfs/dbraw/zinc/17/41/31/498174131.db2.gz WAHMINZNKONXJQ-RWQQGDIJSA-N 2 0 363.933 3.357 20 0 FGADRP C[N@@H+]1CC[C@]2(CCN(Cc3cn(-c4ccccc4)nc3-c3cccnc3)C2)C1 ZINC000292865222 498175523 /nfs/dbraw/zinc/17/55/23/498175523.db2.gz VSHSFYSMPYKOHM-QHCPKHFHSA-N 2 0 373.504 3.462 20 0 FGADRP C[C@H]([NH2+][C@H]1C[C@H](CO)c2ccccc21)c1cccc(OCC[NH+](C)C)c1 ZINC000364951863 498225183 /nfs/dbraw/zinc/22/51/83/498225183.db2.gz ICQHARGCDCLQIV-CECAUBDESA-N 2 0 354.494 3.499 20 0 FGADRP CC[C@H](C)[NH2+][C@@H](CNC(=O)[C@H]1CCC[N@@H+]1Cc1ccccc1)c1ccco1 ZINC000575777145 506002743 /nfs/dbraw/zinc/00/27/43/506002743.db2.gz NOBIQTUSAVRAKL-YSIASYRMSA-N 2 0 369.509 3.490 20 0 FGADRP COc1ccccc1NC(=O)C1CC[NH+](CC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000360365040 498269723 /nfs/dbraw/zinc/26/97/23/498269723.db2.gz FWIDWRJRLKTFKA-SFHVURJKSA-N 2 0 359.514 3.220 20 0 FGADRP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)N2CCC(c3c[nH]cn3)CC2)C1 ZINC000360891074 498319591 /nfs/dbraw/zinc/31/95/91/498319591.db2.gz WSBHBEBPCUNVJF-IAGOWNOFSA-N 2 0 361.534 3.057 20 0 FGADRP CC(C)[NH2+]CC(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000569826220 506025643 /nfs/dbraw/zinc/02/56/43/506025643.db2.gz RJHWYSJMMUMGHR-YJBOKZPZSA-N 2 0 371.447 3.203 20 0 FGADRP C[C@@H](c1ccc(F)cc1)N1CC[C@@H]([NH+]2CCC(CC[NH+](C)C)CC2)C1=O ZINC000293450873 498388942 /nfs/dbraw/zinc/38/89/42/498388942.db2.gz KOTKVCPYEGVEIZ-OXJNMPFZSA-N 2 0 361.505 3.151 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)[C@@]1(c2ccccc2)CC[NH2+]C1)c1ccsc1 ZINC000581605256 506026953 /nfs/dbraw/zinc/02/69/53/506026953.db2.gz UYWATYNECOZIAH-CTNGQTDRSA-N 2 0 371.550 3.179 20 0 FGADRP Cc1sccc1C[NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000293566055 498413549 /nfs/dbraw/zinc/41/35/49/498413549.db2.gz MPASBCOMLZLADB-IBGZPJMESA-N 2 0 357.523 3.044 20 0 FGADRP FC(F)(F)c1csc(CC[NH2+]C2CCN(c3cc[nH+]cc3)CC2)n1 ZINC000297348117 498414296 /nfs/dbraw/zinc/41/42/96/498414296.db2.gz FBUYIPMXPVYFQW-UHFFFAOYSA-N 2 0 356.417 3.358 20 0 FGADRP C[C@@H](CC(=O)N1CCc2c1cccc2C[NH+]1CCCC1)C1CC[NH2+]CC1 ZINC000361710018 498422126 /nfs/dbraw/zinc/42/21/26/498422126.db2.gz BOEQPHDEUZTYGU-KRWDZBQOSA-N 2 0 355.526 3.197 20 0 FGADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)c1cccn1C1CC[NH2+]CC1 ZINC000361725116 498423819 /nfs/dbraw/zinc/42/38/19/498423819.db2.gz BZJSHMFVQZBCPH-UHFFFAOYSA-N 2 0 368.525 3.183 20 0 FGADRP OC1CC[NH+](Cc2ccc(C[NH2+][C@H]3CCCC34CCOCC4)cc2)CC1 ZINC000282244650 498436510 /nfs/dbraw/zinc/43/65/10/498436510.db2.gz QCRADLONSHWVBA-NRFANRHFSA-N 2 0 358.526 3.082 20 0 FGADRP COc1cc(C[NH2+]CC2(C)CC[NH+](C)CC2)cc(OC)c1OCC(F)F ZINC000290171182 498451395 /nfs/dbraw/zinc/45/13/95/498451395.db2.gz QYVFOQPTIIAJRB-UHFFFAOYSA-N 2 0 372.456 3.169 20 0 FGADRP O=C(NC1CC([NH+]2CCCCC2)C1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000365429647 498463706 /nfs/dbraw/zinc/46/37/06/498463706.db2.gz OLLSSVVXFRLOCP-UHFFFAOYSA-N 2 0 355.526 3.032 20 0 FGADRP C[C@@H](CCc1ccc(O)cc1)[NH2+]Cc1ccncc1OCCC[NH+](C)C ZINC000290223846 498471990 /nfs/dbraw/zinc/47/19/90/498471990.db2.gz SBKLKMXJNDWYNY-KRWDZBQOSA-N 2 0 357.498 3.229 20 0 FGADRP [NH3+][C@H]1CCC[C@H](CNC(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)C1 ZINC000572737974 506040547 /nfs/dbraw/zinc/04/05/47/506040547.db2.gz ZQKUMPBIZAYFKP-FPOVZHCZSA-N 2 0 372.557 3.379 20 0 FGADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000331860725 498478383 /nfs/dbraw/zinc/47/83/83/498478383.db2.gz YMNASNLYAAFDEK-JFIYKMOQSA-N 2 0 372.513 3.245 20 0 FGADRP [NH3+][C@@H]1CCC[C@@H](CNC(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)C1 ZINC000572737976 506041226 /nfs/dbraw/zinc/04/12/26/506041226.db2.gz ZQKUMPBIZAYFKP-TZIWHRDSSA-N 2 0 372.557 3.379 20 0 FGADRP Cc1nc2c(s1)[C@H]([NH2+]Cc1ccncc1OCCC[NH+](C)C)CCC2 ZINC000290271184 498489589 /nfs/dbraw/zinc/48/95/89/498489589.db2.gz LNDJHRQKCVTZCJ-MRXNPFEDSA-N 2 0 360.527 3.344 20 0 FGADRP C[C@@H](CNC(=O)Nc1ccc2c(c1F)CC[NH2+]C2)[N@H+](C)Cc1ccccc1 ZINC000569910481 506045023 /nfs/dbraw/zinc/04/50/23/506045023.db2.gz LSWOYGSMWKPRFR-HNNXBMFYSA-N 2 0 370.472 3.113 20 0 FGADRP COc1cc([C@H](C)[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)ccc1SC ZINC000282426990 498506479 /nfs/dbraw/zinc/50/64/79/498506479.db2.gz SWWILQVZILXVQO-HNNXBMFYSA-N 2 0 351.560 3.094 20 0 FGADRP NC(=O)[C@H](N[C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)c1ccc(F)cc1 ZINC000569926441 506049578 /nfs/dbraw/zinc/04/95/78/506049578.db2.gz HBKFKKWKCYYPOA-VQTJNVASSA-N 2 0 367.468 3.139 20 0 FGADRP CC[NH+]1CCN(CCC[NH2+][C@H]2CCc3sc(Br)cc32)CC1 ZINC000293936373 498538354 /nfs/dbraw/zinc/53/83/54/498538354.db2.gz YHUUBSCBBJWRFY-AWEZNQCLSA-N 2 0 372.376 3.115 20 0 FGADRP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C1CC[NH+](C2CC2)CC1 ZINC000282590164 498571844 /nfs/dbraw/zinc/57/18/44/498571844.db2.gz ALCKXIZHCXEBEJ-NRFANRHFSA-N 2 0 369.553 3.278 20 0 FGADRP c1cc(N2CCC(Nc3ccc(CC[NH+]4CCOCC4)cc3)CC2)cc[nH+]1 ZINC000297931505 498613495 /nfs/dbraw/zinc/61/34/95/498613495.db2.gz UOKHFZRSWGFICR-UHFFFAOYSA-N 2 0 366.509 3.037 20 0 FGADRP C[NH+](C)Cc1cccc(C(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)c1 ZINC000363055950 498626037 /nfs/dbraw/zinc/62/60/37/498626037.db2.gz OVQVXNPCUBBIFW-OAQYLSRUSA-N 2 0 365.521 3.043 20 0 FGADRP CC1CC[NH+](CCc2cccc(NC(=O)N3CC[C@@H](C)[C@H](C[NH3+])C3)c2)CC1 ZINC000572851363 506067920 /nfs/dbraw/zinc/06/79/20/506067920.db2.gz LTSJCXAAOMPIGJ-UYAOXDASSA-N 2 0 372.557 3.410 20 0 FGADRP CC1CC[NH+](CCc2cccc(NC(=O)N3CC[C@H](C)[C@H](C[NH3+])C3)c2)CC1 ZINC000572851360 506067985 /nfs/dbraw/zinc/06/79/85/506067985.db2.gz LTSJCXAAOMPIGJ-AZUAARDMSA-N 2 0 372.557 3.410 20 0 FGADRP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)C1 ZINC000303316228 498664607 /nfs/dbraw/zinc/66/46/07/498664607.db2.gz SHYOQBQEFHFOOS-OALUTQOASA-N 2 0 364.578 3.157 20 0 FGADRP CCC[NH+]1CCN(C2CC[NH+](Cc3cnc(-c4ccco4)s3)CC2)CC1 ZINC000365878854 498685204 /nfs/dbraw/zinc/68/52/04/498685204.db2.gz SBXDWWJQJOWENW-UHFFFAOYSA-N 2 0 374.554 3.395 20 0 FGADRP COC(=O)c1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H](C[NH3+])Cc2ccccc2)nc1 ZINC000572881831 506074437 /nfs/dbraw/zinc/07/44/37/506074437.db2.gz WWVXKBOSBRXDRW-TZIWHRDSSA-N 2 0 367.493 3.040 20 0 FGADRP C[N@@H+]1CC[C@H](CNC(=O)CC2CC[NH+](C)CC2)[C@@H]1c1cccc(Cl)c1 ZINC000365967033 498716049 /nfs/dbraw/zinc/71/60/49/498716049.db2.gz GASHZTWOVBCMDM-XLIONFOSSA-N 2 0 363.933 3.181 20 0 FGADRP CCc1cc(C(=O)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)oc1CC ZINC000581887356 506083425 /nfs/dbraw/zinc/08/34/25/506083425.db2.gz NNOLPVSQBSZLME-UHFFFAOYSA-N 2 0 369.509 3.128 20 0 FGADRP C[S@](=O)C1(C[NH2+][C@@H]2CCCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000287468106 498767665 /nfs/dbraw/zinc/76/76/65/498767665.db2.gz MFVNMPVFKIZHFM-OZAHESQGSA-N 2 0 360.567 3.178 20 0 FGADRP C[C@H]1C[N@H+](CCCN[C@H]2CC[NH+](Cc3ccccc3)C3(CC3)C2)CCCO1 ZINC000570091764 506088730 /nfs/dbraw/zinc/08/87/30/506088730.db2.gz IGSSFQUEBHHNSA-UNMCSNQZSA-N 2 0 371.569 3.274 20 0 FGADRP C[C@@H]([NH3+])c1ccc(CNC(=O)NC2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000572944216 506089170 /nfs/dbraw/zinc/08/91/70/506089170.db2.gz FOMNYCICPZKNKQ-MRXNPFEDSA-N 2 0 358.530 3.303 20 0 FGADRP COc1ccc([C@@H]([NH2+]Cc2ccncc2OCC[NH+](C)C)C2CC2)cc1 ZINC000570123404 506095401 /nfs/dbraw/zinc/09/54/01/506095401.db2.gz JWDBQWPTTNMALB-NRFANRHFSA-N 2 0 355.482 3.272 20 0 FGADRP C[C@H]1CN(c2ccccc2C[NH2+]Cc2ccc(F)c(C[NH+](C)C)c2)CCO1 ZINC000298584979 498820257 /nfs/dbraw/zinc/82/02/57/498820257.db2.gz YBKFHTMHFYBLHQ-KRWDZBQOSA-N 2 0 371.500 3.402 20 0 FGADRP C[C@@H](C(=O)N1c2ccccc2CC[C@@H]1C)N1CC[C@@H](Oc2ccncc2)C1 ZINC000576132828 506084627 /nfs/dbraw/zinc/08/46/27/506084627.db2.gz HTQFKFAHAODJOV-ABSDTBQOSA-N 2 0 365.477 3.291 20 0 FGADRP Cc1nn(C)c(N2CCC[N@H+](C)CC2)c1C[NH2+][C@H]1CCCc2sccc21 ZINC000366241831 498837826 /nfs/dbraw/zinc/83/78/26/498837826.db2.gz SJNYOOOUNZVOIM-SFHVURJKSA-N 2 0 373.570 3.099 20 0 FGADRP C[C@@H](NC(=O)c1ccc(CC[NH+](C)C)cc1)[C@H](c1ccccc1)[NH+](C)C ZINC000581953631 506099954 /nfs/dbraw/zinc/09/99/54/506099954.db2.gz UWPZSMWFOJGELK-DYESRHJHSA-N 2 0 353.510 3.212 20 0 FGADRP O=C(c1ccccc1Cl)N1CCC([NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000366260551 498847406 /nfs/dbraw/zinc/84/74/06/498847406.db2.gz RXYGZOYFNZZZPH-SJORKVTESA-N 2 0 361.917 3.161 20 0 FGADRP C[C@H]1C[C@@H](NC(=O)Nc2ccc3c(c2)C[NH2+]C3)CC[N@@H+]1Cc1ccccc1 ZINC000570145951 506101352 /nfs/dbraw/zinc/10/13/52/506101352.db2.gz VDVYRIQFNDFZHQ-KKSFZXQISA-N 2 0 364.493 3.464 20 0 FGADRP CC1CC[NH+](Cc2ccccc2CNC(=O)NCC2(C)CC[NH2+]CC2)CC1 ZINC000570147380 506101844 /nfs/dbraw/zinc/10/18/44/506101844.db2.gz VWXXGAYFMOCPIG-UHFFFAOYSA-N 2 0 372.557 3.107 20 0 FGADRP C[NH+](C)CCCOc1ccc(C[NH2+][C@H]2CCO[C@@H](C(F)(F)F)C2)cc1 ZINC000287762438 498857744 /nfs/dbraw/zinc/85/77/44/498857744.db2.gz QYINTUNXPPDIDB-DOTOQJQBSA-N 2 0 360.420 3.217 20 0 FGADRP C[NH+](C)CCOc1cccc(C[NH2+]C2CCN(CCC(F)(F)F)CC2)c1 ZINC000291269456 498870808 /nfs/dbraw/zinc/87/08/08/498870808.db2.gz XWAAABFJRWYIPY-UHFFFAOYSA-N 2 0 373.463 3.133 20 0 FGADRP C[N@@H+]1CC[C@H](CNC(=O)CCCCCC[NH3+])[C@H]1c1cccc(Cl)c1 ZINC000366324464 498873982 /nfs/dbraw/zinc/87/39/82/498873982.db2.gz AXZPMEWSEVEKRG-VQIMIIECSA-N 2 0 351.922 3.358 20 0 FGADRP C[C@H]1C[C@@H](c2ccccc2)C[C@@H]([NH2+][C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)C1 ZINC000333208014 498937384 /nfs/dbraw/zinc/93/73/84/498937384.db2.gz ZEGPWRLBJCYBQY-PDZUXIDASA-N 2 0 369.553 3.195 20 0 FGADRP CN(C)CC[NH+]1CCC(C[NH2+][C@@H]2CCCc3c4ccccc4[nH]c32)CC1 ZINC000582026595 506115401 /nfs/dbraw/zinc/11/54/01/506115401.db2.gz ORJOCBJJJIVJRA-OAQYLSRUSA-N 2 0 354.542 3.409 20 0 FGADRP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)N[C@@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC000288164807 498958744 /nfs/dbraw/zinc/95/87/44/498958744.db2.gz OUBCPAUJMVPIES-QKLQHJQFSA-N 2 0 360.546 3.050 20 0 FGADRP C[C@@H](NC(=O)N1CCC(CC[NH+](C)C)CC1)[C@@H](c1ccccc1)[NH+](C)C ZINC000288188211 498963462 /nfs/dbraw/zinc/96/34/62/498963462.db2.gz PXFRACJNOKSGFN-XLIONFOSSA-N 2 0 360.546 3.051 20 0 FGADRP COc1ccc(OCc2nc(CN(C)CCCn3ccnc3)cs2)cc1 ZINC000570233606 506121014 /nfs/dbraw/zinc/12/10/14/506121014.db2.gz OOXLKPGUAJAASC-UHFFFAOYSA-N 2 0 372.494 3.449 20 0 FGADRP COc1ccc(-c2nc(CN3C[C@H](C[NH3+])C4(C3)CCOCC4)cs2)cc1 ZINC000573120461 506123466 /nfs/dbraw/zinc/12/34/66/506123466.db2.gz QSYRDMMWSFIBAB-INIZCTEOSA-N 2 0 373.522 3.006 20 0 FGADRP C[C@H]([NH2+]C1CCN(c2ccccn2)CC1)c1cccc(N2CCOCC2)c1 ZINC000363793634 498995325 /nfs/dbraw/zinc/99/53/25/498995325.db2.gz ROCRQRGGFDMEQV-SFHVURJKSA-N 2 0 366.509 3.238 20 0 FGADRP CC1CC[NH+](C2CCC(NC(=O)N[C@@H](C[NH3+])C3CCCCC3)CC2)CC1 ZINC000333441727 499006736 /nfs/dbraw/zinc/00/67/36/499006736.db2.gz WFHXKURLJTZMOM-MHJFOBGBSA-N 2 0 364.578 3.236 20 0 FGADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+][C@@H]2CCC(=O)NC23CCC3)CC1 ZINC000284067614 499042071 /nfs/dbraw/zinc/04/20/71/499042071.db2.gz MZMYHUSPXLMPHB-SOAGJPPSSA-N 2 0 355.526 3.221 20 0 FGADRP c1ccc(C[N@@H+]2CCCO[C@@H](CN3CCC[C@H]([NH+]4CCCC4)CC3)C2)cc1 ZINC000284196577 499066361 /nfs/dbraw/zinc/06/63/61/499066361.db2.gz SESIWDUNDRESSO-GOTSBHOMSA-N 2 0 371.569 3.228 20 0 FGADRP CC[NH+]1CCN(c2ccc(NC(=O)c3ccc4c[nH+]cn4c3)c(C)c2)CC1 ZINC000284518661 499119884 /nfs/dbraw/zinc/11/98/84/499119884.db2.gz NIVGWEPQFRDVGC-UHFFFAOYSA-N 2 0 363.465 3.037 20 0 FGADRP Cc1cn2c(n1)[C@@H](C[NH2+][C@@H](CCn1cncn1)c1ccc(C)cc1)CCC2 ZINC000364159719 499125876 /nfs/dbraw/zinc/12/58/76/499125876.db2.gz YXANTFKXJQBQOL-UXHICEINSA-N 2 0 364.497 3.390 20 0 FGADRP C[N@H+](Cc1ccccc1CNC(=O)[C@@H]1C[C@@]12CC[NH2+]C2)C1CCCCC1 ZINC000372488986 499133955 /nfs/dbraw/zinc/13/39/55/499133955.db2.gz CJFQGZQOMFICKK-RBBKRZOGSA-N 2 0 355.526 3.067 20 0 FGADRP COC(=O)c1ccc(CN(C)C[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)c(F)c1 ZINC000372521458 499138638 /nfs/dbraw/zinc/13/86/38/499138638.db2.gz JQJBRSPZPRSGNI-ICSRJNTNSA-N 2 0 371.456 3.132 20 0 FGADRP C[C@H]([NH2+]C[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1)c1ccc(S(C)(=O)=O)cc1 ZINC000369852761 499139099 /nfs/dbraw/zinc/13/90/99/499139099.db2.gz OMYZBEQLDZHEEJ-NBHGPNQESA-N 2 0 372.534 3.434 20 0 FGADRP CC(C)[NH+]1CCN([C@H]2CC[N@H+](CCCCCOc3ccccc3)C2)CC1 ZINC000372685429 499160732 /nfs/dbraw/zinc/16/07/32/499160732.db2.gz UOTOHNFUPFQYJH-NRFANRHFSA-N 2 0 359.558 3.336 20 0 FGADRP Cc1cc(C[NH+](C)C)cc(NC(=O)C2CC[NH+](Cc3cccnc3)CC2)c1 ZINC000372853551 499184630 /nfs/dbraw/zinc/18/46/30/499184630.db2.gz DAWZMQBYCPVVRZ-UHFFFAOYSA-N 2 0 366.509 3.302 20 0 FGADRP COc1ccc(NC(=[NH2+])NC[C@@H]2CC[N@H+](C)[C@@H]2c2cccs2)cc1OC ZINC000370163831 499190947 /nfs/dbraw/zinc/19/09/47/499190947.db2.gz UHDQTJDSNZZZAB-UGSOOPFHSA-N 2 0 374.510 3.395 20 0 FGADRP C[N@@H+]1CCC[C@H](C[NH2+]C[C@@H](O)COCc2cccs2)[C@H]1c1ccccc1 ZINC000367482839 499204387 /nfs/dbraw/zinc/20/43/87/499204387.db2.gz IKUSIGFWGDJQEA-SFHLNBCPSA-N 2 0 374.550 3.298 20 0 FGADRP Cc1c(Cl)cccc1NC(=O)N1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000367523525 499208726 /nfs/dbraw/zinc/20/87/26/499208726.db2.gz COECKECJLOYPDE-AWEZNQCLSA-N 2 0 364.921 3.281 20 0 FGADRP CC[NH+]1CCN([C@H](C)C[NH2+]C2CCC([N@H+](C)Cc3ccccc3)CC2)CC1 ZINC000367618193 499218506 /nfs/dbraw/zinc/21/85/06/499218506.db2.gz SBURSLOBGLDVIL-RDABAPPSSA-N 3 0 372.601 3.045 20 0 FGADRP CN1CC[NH+](CC2CC[NH+](Cc3cccc(OC(F)(F)F)c3)CC2)CC1 ZINC000367669789 499223077 /nfs/dbraw/zinc/22/30/77/499223077.db2.gz LXUBGMCAOOLTGP-UHFFFAOYSA-N 2 0 371.447 3.045 20 0 FGADRP CCN(CCC[NH+](CC)CC)C(=O)C1CCN(c2ccc(C)cn2)CC1 ZINC000370475014 499224000 /nfs/dbraw/zinc/22/40/00/499224000.db2.gz ADMIRAMYVZBYJD-UHFFFAOYSA-N 2 0 360.546 3.187 20 0 FGADRP C[NH+](C)C1CCN(c2ccc(NC(=O)[C@H]3C[C@@H]4CCCC[N@@H+]4C3)cc2)CC1 ZINC000370586049 499233772 /nfs/dbraw/zinc/23/37/72/499233772.db2.gz ZXAGMCGYTNFKJK-UWJYYQICSA-N 2 0 370.541 3.030 20 0 FGADRP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000370608400 499235362 /nfs/dbraw/zinc/23/53/62/499235362.db2.gz LJEPSQGAGFUQEI-YPIGPJMWSA-N 2 0 371.569 3.303 20 0 FGADRP Cc1nnc(N2CCC([NH2+][C@H](C)[C@H]3CCC[N@@H+](C4CCC4)C3)CC2)s1 ZINC000367832130 499236772 /nfs/dbraw/zinc/23/67/72/499236772.db2.gz PFHHLFYCZYNQFA-ZBFHGGJFSA-N 2 0 363.575 3.058 20 0 FGADRP C[NH+](C)Cc1ccccc1C(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C1 ZINC000370677638 499243301 /nfs/dbraw/zinc/24/33/01/499243301.db2.gz OVZRRWOZSPQQDN-IRLDBZIGSA-N 2 0 363.505 3.095 20 0 FGADRP c1cc(C[NH+]2CCC[C@]23CCOC3)cc(C[N@@H+]2CCC[C@@]23CCOC3)c1 ZINC000370725304 499248301 /nfs/dbraw/zinc/24/83/01/499248301.db2.gz QWNGBUOCRCMENZ-SZPZYZBQSA-N 2 0 356.510 3.196 20 0 FGADRP C[NH2+]C[C@H](C)C(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000370772936 499253204 /nfs/dbraw/zinc/25/32/04/499253204.db2.gz MSBFXYJGXAIOMJ-QRTARXTBSA-N 2 0 371.447 3.060 20 0 FGADRP Cc1nccn1-c1ccc([C@H](C)[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)cc1 ZINC000368026069 499256935 /nfs/dbraw/zinc/25/69/35/499256935.db2.gz ZVLZFUIPBGNNQK-HAFPXEGZSA-N 2 0 368.525 3.425 20 0 FGADRP C[C@@H](NC(=O)c1ccccc1C[NH+](C)C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000368155537 499269919 /nfs/dbraw/zinc/26/99/19/499269919.db2.gz OTDVJDBLBQJYOG-UYAOXDASSA-N 2 0 365.521 3.389 20 0 FGADRP C[C@@H]1C[C@H](CNC(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)C[NH+]1Cc1ccccc1 ZINC000371007213 499279848 /nfs/dbraw/zinc/27/98/48/499279848.db2.gz HJPWJQURIHSGRT-VURPSTOHSA-N 2 0 372.557 3.021 20 0 FGADRP C[NH+]1CCC(N2CC[C@H]([NH2+]Cc3ccc(Sc4ccccn4)o3)C2)CC1 ZINC000368347035 499287495 /nfs/dbraw/zinc/28/74/95/499287495.db2.gz GRESZEWGGHBTBB-INIZCTEOSA-N 2 0 372.538 3.084 20 0 FGADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000368442578 499296410 /nfs/dbraw/zinc/29/64/10/499296410.db2.gz PSTLRLQXMPOBKY-UHFFFAOYSA-N 2 0 372.557 3.343 20 0 FGADRP O=C(CC1CC[NH2+]CC1)N1CCC[C@@H]1[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000371270569 499304446 /nfs/dbraw/zinc/30/44/46/499304446.db2.gz GAPDDYBFGDUASW-NHCUHLMSSA-N 2 0 355.526 3.032 20 0 FGADRP C[N@H+](C[C@H]1CC12CC[NH+](CCc1nc(-c3ccccc3)no1)CC2)C1CC1 ZINC000371329507 499310777 /nfs/dbraw/zinc/31/07/77/499310777.db2.gz JWXLOTGOXDMOKL-GOSISDBHSA-N 2 0 366.509 3.475 20 0 FGADRP COc1ccc2cc(C[N@@H+]3CC[C@H](N4CC[NH+](C(C)C)CC4)C3)ccc2c1 ZINC000371335009 499312238 /nfs/dbraw/zinc/31/22/38/499312238.db2.gz IJAFKZJFBKGSIS-QFIPXVFZSA-N 2 0 367.537 3.449 20 0 FGADRP CC(C)[NH+]1CCN(C2CC[NH+](CCOc3ccccc3Cl)CC2)CC1 ZINC000371346697 499313796 /nfs/dbraw/zinc/31/37/96/499313796.db2.gz YVTGSNBSYNHVHM-UHFFFAOYSA-N 2 0 365.949 3.209 20 0 FGADRP Cc1cc(N2CC[C@@H]([NH+]3CCN(C)CC3)[C@H](C)C2)c2cc(F)ccc2[nH+]1 ZINC000371352046 499314129 /nfs/dbraw/zinc/31/41/29/499314129.db2.gz WQAPMGJXSBVTIF-FOIQADDNSA-N 2 0 356.489 3.145 20 0 FGADRP COc1cc(C[NH2+]C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cc(OC)c1O ZINC000368624722 499314722 /nfs/dbraw/zinc/31/47/22/499314722.db2.gz OJPCIVGMWALDIM-SFHVURJKSA-N 2 0 370.493 3.411 20 0 FGADRP CC[NH+](CC)Cc1cccc(CNC(=O)N2CCCC23CC[NH+](C)CC3)c1 ZINC000371410979 499322837 /nfs/dbraw/zinc/32/28/37/499322837.db2.gz KNOYZTDFCMWKLS-UHFFFAOYSA-N 2 0 372.557 3.298 20 0 FGADRP CC[NH2+]CC1CCN(C(=O)[C@@]23CCC[C@@H]2C[N@H+](Cc2ccccc2)C3)CC1 ZINC000573204794 506143188 /nfs/dbraw/zinc/14/31/88/506143188.db2.gz MQBLRINQUWIJHP-FYYLOGMGSA-N 2 0 369.553 3.137 20 0 FGADRP CN1CCC([NH+]2CCC(CC[NH2+][C@@H]3CC(C)(C)OC3(C)C)CC2)CC1 ZINC000372056749 499394069 /nfs/dbraw/zinc/39/40/69/499394069.db2.gz VSIWIPSFPJLDQK-LJQANCHMSA-N 2 0 351.579 3.118 20 0 FGADRP CC(C)[NH+]1CCN([C@H]2CC[N@H+](Cc3cc(Cl)cc4cccnc43)C2)CC1 ZINC000369396913 499399228 /nfs/dbraw/zinc/39/92/28/499399228.db2.gz BPFMCBBZYFAPOA-FQEVSTJZSA-N 2 0 372.944 3.489 20 0 FGADRP C[N@H+](C[C@@H]1CC2(CC2)C(=O)O1)CC1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000373025092 499447864 /nfs/dbraw/zinc/44/78/64/499447864.db2.gz KMBPZTGNFWGFHE-IBGZPJMESA-N 2 0 356.510 3.316 20 0 FGADRP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCC[C@@H]1[C@H]1COCC[C@@]1(C)O ZINC000375410590 499515633 /nfs/dbraw/zinc/51/56/33/499515633.db2.gz KPAIFRPFVIYNOG-MQSCRBSSSA-N 2 0 374.569 3.397 20 0 FGADRP C[N@@H+]1CCC[C@H](C[NH2+]C[C@H](O)COCc2ccccc2)[C@H]1c1ccccc1 ZINC000375449306 499520456 /nfs/dbraw/zinc/52/04/56/499520456.db2.gz PGKNQBZOPRRVFN-XPWALMASSA-N 2 0 368.521 3.237 20 0 FGADRP COc1ccc2c(c1)[C@H]([NH2+]CCN1CC[NH+](Cc3ccccc3)CC1)CC2 ZINC000390646013 499554916 /nfs/dbraw/zinc/55/49/16/499554916.db2.gz MFWOOSUWXZRGAF-HSZRJFAPSA-N 2 0 365.521 3.090 20 0 FGADRP C[C@H](Cc1ccccc1F)[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000397529915 499564411 /nfs/dbraw/zinc/56/44/11/499564411.db2.gz YUQIPNNDHGILNU-GOSISDBHSA-N 2 0 356.485 3.373 20 0 FGADRP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](CCSc3ccc(F)cc3)C2)CC1 ZINC000375889055 499565211 /nfs/dbraw/zinc/56/52/11/499565211.db2.gz IXLAWIOVUVXQAM-GOSISDBHSA-N 2 0 351.535 3.018 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000398005779 499565381 /nfs/dbraw/zinc/56/53/81/499565381.db2.gz QFCUZXPTFDEJTG-QIJUGHKUSA-N 2 0 365.521 3.493 20 0 FGADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCC(=O)Nc1c(F)cccc1F ZINC000397985826 499565721 /nfs/dbraw/zinc/56/57/21/499565721.db2.gz OEKNVPVCVLOKOF-KXBFYZLASA-N 2 0 373.447 3.404 20 0 FGADRP CN(C(=O)[C@@H]1CCC[NH+](Cc2cccc(F)c2)C1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000376395015 499605375 /nfs/dbraw/zinc/60/53/75/499605375.db2.gz JKORDMGPAPICAG-OKCRPCIYSA-N 2 0 373.516 3.121 20 0 FGADRP CCOC(=O)CC(C)(C)CC[N@H+](C)C1CCN(Cc2ccncc2)CC1 ZINC000376547840 499617263 /nfs/dbraw/zinc/61/72/63/499617263.db2.gz VHQKWEUKVCUGSJ-UHFFFAOYSA-N 2 0 361.530 3.347 20 0 FGADRP C[C@H]1C[C@@H](C(=O)N2CCC[C@H]2[C@H]2CCC[N@@H+]2Cc2ccccc2)CC[NH2+]1 ZINC000376633124 499624598 /nfs/dbraw/zinc/62/45/98/499624598.db2.gz CJRZGWBBQZNTHP-WJMWBRGCSA-N 2 0 355.526 3.030 20 0 FGADRP Cn1c2ccc(C(F)(F)F)cc2nc1CNCc1cnc2n1CCCC2 ZINC000376730140 499632398 /nfs/dbraw/zinc/63/23/98/499632398.db2.gz VOMUKFIPTXJJDG-UHFFFAOYSA-N 2 0 363.387 3.415 20 0 FGADRP O=C(CC[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1)Nc1cccc2ccccc21 ZINC000582181589 506153135 /nfs/dbraw/zinc/15/31/35/506153135.db2.gz DRIFSRQDZLOILM-LJQANCHMSA-N 2 0 351.494 3.490 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+]C2CCN(c3nccs3)CC2)C1 ZINC000376878701 499643172 /nfs/dbraw/zinc/64/31/72/499643172.db2.gz WVTRMIPDBFKYFW-CALCHBBNSA-N 2 0 350.576 3.460 20 0 FGADRP CC1CC[NH+](Cc2ccccc2CNC(=O)NCC[NH+]2CCCCC2)CC1 ZINC000410336307 499655624 /nfs/dbraw/zinc/65/56/24/499655624.db2.gz BGRKEMDLHVRSFL-UHFFFAOYSA-N 2 0 372.557 3.204 20 0 FGADRP CC(C)[NH+]1CCN(C(=O)NCc2ccccc2C[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000410354436 499657204 /nfs/dbraw/zinc/65/72/04/499657204.db2.gz QAXGGSFDQKBAST-LJQANCHMSA-N 2 0 372.557 3.154 20 0 FGADRP CCCNC(=O)CCC[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000411328808 499726262 /nfs/dbraw/zinc/72/62/62/499726262.db2.gz QGQPVYIVLCEJJH-SFTDATJTSA-N 2 0 357.542 3.279 20 0 FGADRP CC(C)[NH+]1CCC(NC(=O)C[NH2+][C@H](c2ccc(F)cc2)C(C)(C)C)CC1 ZINC000411346560 499728229 /nfs/dbraw/zinc/72/82/29/499728229.db2.gz ISVMQSPRRIBSBN-HXUWFJFHSA-N 2 0 363.521 3.492 20 0 FGADRP c1cn(CC2CC[NH+](Cc3cccc(C[NH+]4CCCCC4)c3)CC2)nn1 ZINC000411401616 499734953 /nfs/dbraw/zinc/73/49/53/499734953.db2.gz NLAZOJFADLWZBI-UHFFFAOYSA-N 2 0 353.514 3.176 20 0 FGADRP FC(F)CN1CCC[N@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000411427515 499738977 /nfs/dbraw/zinc/73/89/77/499738977.db2.gz OZWNDNIATRQHSB-UHFFFAOYSA-N 2 0 351.485 3.445 20 0 FGADRP C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2CC2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000377834214 499740598 /nfs/dbraw/zinc/74/05/98/499740598.db2.gz JVHUVEHYQNIPPC-MSOLQXFVSA-N 2 0 351.535 3.050 20 0 FGADRP CN(Cc1nccn1Cc1ccccc1)C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC000377928415 499748643 /nfs/dbraw/zinc/74/86/43/499748643.db2.gz YNUJXBXCUYARPK-NRFANRHFSA-N 2 0 372.488 3.102 20 0 FGADRP C[C@H](CC[NH+](C)[C@@H](C)c1cnn(C)c1)CC[N@H+](C)[C@H](C)c1cnn(C)c1 ZINC000411506510 499748947 /nfs/dbraw/zinc/74/89/47/499748947.db2.gz YIKSTEJRIAUFFM-BCDXTJNWSA-N 2 0 360.550 3.256 20 0 FGADRP C[C@@H](CC[NH2+][C@]1(C)CCO[C@@H]1C1CC1)CC[NH2+][C@@]1(C)CCO[C@H]1C1CC1 ZINC000411509159 499749249 /nfs/dbraw/zinc/74/92/49/499749249.db2.gz CJBPZGHYWDQTNP-QSXIHAHJSA-N 2 0 364.574 3.497 20 0 FGADRP CC(C)[C@@H]1C[C@@H]([NH2+]CC2(N3CCOCC3)CC[NH+](C)CC2)c2ccccc21 ZINC000414184296 499766628 /nfs/dbraw/zinc/76/66/28/499766628.db2.gz FPTNOTRHNVZPPX-FCHUYYIVSA-N 2 0 371.569 3.257 20 0 FGADRP C[C@@H]([NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1)c1cccc2ccccc21 ZINC000414195237 499767699 /nfs/dbraw/zinc/76/76/99/499767699.db2.gz NWAPGIQTGATIAB-LJQANCHMSA-N 2 0 367.537 3.287 20 0 FGADRP CC(C)[C@H]([NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1)c1cccnc1 ZINC000414302240 499775702 /nfs/dbraw/zinc/77/57/02/499775702.db2.gz KHYCRAQYMOIFBH-NRFANRHFSA-N 2 0 353.510 3.395 20 0 FGADRP C[C@@H]([NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1)c1ccc2c(c1)COC2 ZINC000414307998 499776044 /nfs/dbraw/zinc/77/60/44/499776044.db2.gz PUVZPXNVQARNSU-GOSISDBHSA-N 2 0 366.505 3.395 20 0 FGADRP C[C@@H]1OCC[C@@]12C[N@H+](Cc1ccc(C[NH+]3CCCCC3)cc1)C[C@@H](C)O2 ZINC000411676853 499776624 /nfs/dbraw/zinc/77/66/24/499776624.db2.gz QGVUMJDIQJEZRO-XQBPLPMBSA-N 2 0 358.526 3.441 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCN(c3ccc(F)cc3)C2)[C@H](C)C1 ZINC000414340315 499779215 /nfs/dbraw/zinc/77/92/15/499779215.db2.gz GVONVCFCXICUTL-QFUCXCTJSA-N 2 0 363.521 3.131 20 0 FGADRP C[C@@H](c1ccccc1)[C@H]([NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1)C(N)=O ZINC000411756638 499787126 /nfs/dbraw/zinc/78/71/26/499787126.db2.gz KECQLHCGISNHHG-AVRDEDQJSA-N 2 0 365.521 3.420 20 0 FGADRP O[C@H]([C@@H]1CC[N@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C1)C(F)(F)F ZINC000411793063 499791416 /nfs/dbraw/zinc/79/14/16/499791416.db2.gz BBIAUKWFPBNSNW-QZTJIDSGSA-N 2 0 356.432 3.418 20 0 FGADRP CC(C)N1CC[C@@H]([NH+](C)CC[C@H](C)CC[N@H+](C)[C@H]2CCN(C(C)C)C2)C1 ZINC000411879412 499799236 /nfs/dbraw/zinc/79/92/36/499799236.db2.gz RTDHQBAXMXUHDU-KOUNCHBCSA-N 2 0 366.638 3.232 20 0 FGADRP Cc1ccc(C[NH2+]Cc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)s1 ZINC000414550715 499807394 /nfs/dbraw/zinc/80/73/94/499807394.db2.gz DOOMVJAZDLAWMW-UHFFFAOYSA-N 2 0 357.523 3.044 20 0 FGADRP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3cn(C4CCCC4)nc3-c3ccccn3)C[C@@H]12 ZINC000414670768 499819058 /nfs/dbraw/zinc/81/90/58/499819058.db2.gz MRYBSYNYOAJBCB-KFKAGJAMSA-N 2 0 351.498 3.229 20 0 FGADRP CCOC(=O)[C@H](Cc1cccc2ccccc21)NC[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414740636 499825435 /nfs/dbraw/zinc/82/54/35/499825435.db2.gz DHHIPABJIHCTBH-FVJLSDCUSA-N 2 0 354.494 3.292 20 0 FGADRP COCC[N@@H+](Cc1sccc1Br)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414756901 499827265 /nfs/dbraw/zinc/82/72/65/499827265.db2.gz ROMBADMDLPHNOI-QWHCGFSZSA-N 2 0 361.349 3.347 20 0 FGADRP CC[NH+](CC)CCOc1ccccc1NC(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000414776880 499830023 /nfs/dbraw/zinc/83/00/23/499830023.db2.gz DSOJFLZNNHCFHF-NRFANRHFSA-N 2 0 374.529 3.015 20 0 FGADRP CC[NH+](CC)CCOc1ccccc1NC(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000414793927 499831829 /nfs/dbraw/zinc/83/18/29/499831829.db2.gz UVKMDPBNXYICHU-GOSISDBHSA-N 2 0 370.497 3.229 20 0 FGADRP c1ccc(CC(Cc2ccccc2)C[N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)cc1 ZINC000414794520 499831887 /nfs/dbraw/zinc/83/18/87/499831887.db2.gz UBKZWYTUZCBZAE-XMMPIXPASA-N 2 0 363.549 3.068 20 0 FGADRP C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000414798457 499832674 /nfs/dbraw/zinc/83/26/74/499832674.db2.gz JDUJQSDXVGOVNX-IIDMSEBBSA-N 2 0 351.922 3.184 20 0 FGADRP COc1ccc(OCc2ccccn2)c(C[NH2+]CC[C@@H]2CCC[NH2+]C2)c1 ZINC000414830638 499835267 /nfs/dbraw/zinc/83/52/67/499835267.db2.gz CEUZUIUASHCUEP-KRWDZBQOSA-N 2 0 355.482 3.149 20 0 FGADRP CCCOc1c(Br)cc(C[NH2+]C[C@H]2CCC[NH2+]C2)cc1OC ZINC000414834639 499835790 /nfs/dbraw/zinc/83/57/90/499835790.db2.gz SXVAXFLNPPLRGL-ZDUSSCGKSA-N 2 0 371.319 3.336 20 0 FGADRP C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000414834814 499835935 /nfs/dbraw/zinc/83/59/35/499835935.db2.gz HVOSIBGLRZYRIY-KBPBESRZSA-N 2 0 368.319 3.146 20 0 FGADRP COc1ccc(OCc2nc(C[NH2+]CC[C@@H]3CCC[NH2+]C3)cs2)cc1 ZINC000414839756 499836570 /nfs/dbraw/zinc/83/65/70/499836570.db2.gz MRFOIFNDAKPSOQ-HNNXBMFYSA-N 2 0 361.511 3.210 20 0 FGADRP C[C@@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000414849279 499837566 /nfs/dbraw/zinc/83/75/66/499837566.db2.gz XXUULAKYFXEREF-KBPBESRZSA-N 2 0 373.419 3.282 20 0 FGADRP COc1cc(C[NH2+][C@@H](C)[C@H]2CCC[NH2+]C2)ccc1OCc1ccncc1 ZINC000414849642 499837743 /nfs/dbraw/zinc/83/77/43/499837743.db2.gz HMGIFAWRJGWNLX-LPHOPBHVSA-N 2 0 355.482 3.147 20 0 FGADRP C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+][C@H](C)[C@H]1CCC[NH2+]C1 ZINC000414853043 499838201 /nfs/dbraw/zinc/83/82/01/499838201.db2.gz KNMSVPQANPTALI-INMHGKMJSA-N 2 0 351.922 3.055 20 0 FGADRP c1ccc(C[N@H+]2C[C@@H]3CC[C@H](NCCC[NH2+]Cc4cccnc4)[C@H]3C2)cc1 ZINC000414886221 499841481 /nfs/dbraw/zinc/84/14/81/499841481.db2.gz VPXHKGHEUUGAGM-VABKMULXSA-N 2 0 364.537 3.062 20 0 FGADRP Brc1ccccc1CN1CCC([NH2+]CC[C@H]2CCC[NH2+]2)CC1 ZINC000414912009 499843847 /nfs/dbraw/zinc/84/38/47/499843847.db2.gz XLXWBOAGKQDGRD-MRXNPFEDSA-N 2 0 366.347 3.145 20 0 FGADRP CCc1nn(C)c(CC)c1CN[C@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000414936943 499846408 /nfs/dbraw/zinc/84/64/08/499846408.db2.gz BXAKWZGCFCBJDJ-KUHUBIRLSA-N 2 0 362.468 3.058 20 0 FGADRP C[C@H]1C[C@H]([NH2+]C2CCN(Cc3ccccc3Br)CC2)CC[NH2+]1 ZINC000414940940 499847062 /nfs/dbraw/zinc/84/70/62/499847062.db2.gz BZYWEZCPDVCIHQ-WMLDXEAASA-N 2 0 366.347 3.144 20 0 FGADRP CCC[NH+]1CCN(c2ccccc2C[NH2+]Cc2cc(C)cc(N)c2)CC1 ZINC000414957505 499848980 /nfs/dbraw/zinc/84/89/80/499848980.db2.gz BXSZSCADTBVMRW-UHFFFAOYSA-N 2 0 352.526 3.399 20 0 FGADRP COCC1(C[NH2+]Cc2ccc(Cl)c(Br)c2)CC[NH2+]CC1 ZINC000414972344 499850194 /nfs/dbraw/zinc/85/01/94/499850194.db2.gz JZJJICKUJXFYAC-UHFFFAOYSA-N 2 0 361.711 3.208 20 0 FGADRP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000414974828 499850464 /nfs/dbraw/zinc/85/04/64/499850464.db2.gz KXBHHGMMZSIJRS-PXNSSMCTSA-N 2 0 358.530 3.449 20 0 FGADRP COCC1(C[NH2+]C[C@H](C)c2cccc(Br)c2)CC[NH2+]CC1 ZINC000414979444 499850982 /nfs/dbraw/zinc/85/09/82/499850982.db2.gz VDIZMVVPKFNULF-AWEZNQCLSA-N 2 0 355.320 3.158 20 0 FGADRP CC[NH+](CC)[C@H](C(=O)NC[C@H](C)[NH+](C)C)c1cccc(C(F)(F)F)c1 ZINC000412392439 499851194 /nfs/dbraw/zinc/85/11/94/499851194.db2.gz CKHNOKOJAOSXLN-BBRMVZONSA-N 2 0 359.436 3.155 20 0 FGADRP C[C@@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]C[C@H]1CC[C@H](C[NH3+])CC1 ZINC000415022231 499855678 /nfs/dbraw/zinc/85/56/78/499855678.db2.gz IOOCVOZCPSKBBT-ULQDDVLXSA-N 2 0 365.949 3.432 20 0 FGADRP COc1ccc(C[NH2+]C2CCC([NH+]3CCNCC3)CC2)c2ccccc12 ZINC000415049919 499858116 /nfs/dbraw/zinc/85/81/16/499858116.db2.gz HWVFXRILSAHNPL-UHFFFAOYSA-N 2 0 353.510 3.154 20 0 FGADRP COc1cccc(NC(=O)C[C@@H](C)[NH2+][C@@H](CCC[NH3+])c2ccccc2)c1 ZINC000415055839 499859078 /nfs/dbraw/zinc/85/90/78/499859078.db2.gz OYZFVOWOTQCCOJ-UZLBHIALSA-N 2 0 355.482 3.482 20 0 FGADRP Fc1ccc(CN2CCC([NH2+][C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)CC2)cc1F ZINC000415103600 499864036 /nfs/dbraw/zinc/86/40/36/499864036.db2.gz KPKHXLGIEAAXRD-IOMROCGXSA-N 2 0 363.496 3.440 20 0 FGADRP CCCCCOc1ccc(C[N@@H+]2CCC[C@H](n3cc(C[NH3+])nn3)C2)cc1 ZINC000415103249 499864120 /nfs/dbraw/zinc/86/41/20/499864120.db2.gz CYPYGCLFVUIRFV-IBGZPJMESA-N 2 0 357.502 3.143 20 0 FGADRP [NH3+][C@@H]1CCO[C@H](C2CC[NH+](Cc3c(F)cccc3N3CCCC3)CC2)C1 ZINC000415124688 499866812 /nfs/dbraw/zinc/86/68/12/499866812.db2.gz NAQUIXNLIAWIRH-UTKZUKDTSA-N 2 0 361.505 3.144 20 0 FGADRP [NH3+][C@H]1CCO[C@@H](C2CC[NH+](Cc3ccccc3Br)CC2)C1 ZINC000415124626 499866981 /nfs/dbraw/zinc/86/69/81/499866981.db2.gz MVFOJQZLIGOGJS-DOTOQJQBSA-N 2 0 353.304 3.167 20 0 FGADRP [NH3+][C@H]1CCCO[C@@H]1C1CC[NH+](Cc2ccccc2OC(F)(F)F)CC1 ZINC000415138203 499869352 /nfs/dbraw/zinc/86/93/52/499869352.db2.gz YOVHKZYNSZHKPE-DOTOQJQBSA-N 2 0 358.404 3.304 20 0 FGADRP CC(C)C[C@@H](C[NH3+])NC(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000415312424 499885687 /nfs/dbraw/zinc/88/56/87/499885687.db2.gz SPYQTPUOYUDOEA-SFHVURJKSA-N 2 0 362.518 3.046 20 0 FGADRP C[NH2+]C[C@@H]1CCCN1C(=O)Nc1cccc(CC[NH+]2CCC(C)CC2)c1 ZINC000415391568 499890950 /nfs/dbraw/zinc/89/09/50/499890950.db2.gz LZBFNKFDZMUUEC-FQEVSTJZSA-N 2 0 358.530 3.177 20 0 FGADRP CC1CC[NH+](CCc2cccc(NC(=O)NCCC[NH2+]C3CC3)c2)CC1 ZINC000415390005 499891009 /nfs/dbraw/zinc/89/10/09/499891009.db2.gz JSLJHRASXNOWQW-UHFFFAOYSA-N 2 0 358.530 3.225 20 0 FGADRP CC1CC[NH+](CCc2cccc(NC(=O)NCCC3=CC[NH2+]CC3)c2)CC1 ZINC000415396310 499891220 /nfs/dbraw/zinc/89/12/20/499891220.db2.gz UERRLNRHAZLHCF-UHFFFAOYSA-N 2 0 370.541 3.392 20 0 FGADRP O[C@H](C[NH2+]C1CC[NH+](C2CCC2)CC1)COc1ccccc1C(F)(F)F ZINC000576460564 506164013 /nfs/dbraw/zinc/16/40/13/506164013.db2.gz VBULFOMWIGZJAB-MRXNPFEDSA-N 2 0 372.431 3.052 20 0 FGADRP CC(C)[N@@H+](Cc1ccc(NC(=O)N2CC[C@H]([NH3+])C2)cc1)C[C@H]1CCCCO1 ZINC000415413985 499892300 /nfs/dbraw/zinc/89/23/00/499892300.db2.gz ZHYRQFIMSHCUHJ-AZUAARDMSA-N 2 0 374.529 3.031 20 0 FGADRP CC(C)[N@@H+](Cc1ccc(NC(=O)N2CC[C@H]([NH3+])C2)cc1)C[C@@H]1CCCCO1 ZINC000415413986 499892315 /nfs/dbraw/zinc/89/23/15/499892315.db2.gz ZHYRQFIMSHCUHJ-ICSRJNTNSA-N 2 0 374.529 3.031 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)Nc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000415886438 499924442 /nfs/dbraw/zinc/92/44/42/499924442.db2.gz UXWLBMUGRYFCOJ-QZTJIDSGSA-N 2 0 370.541 3.451 20 0 FGADRP CC[NH2+]Cc1cccc(NC(=O)NC[C@H](C)[N@@H+]2CCc3ccccc3C2)c1 ZINC000415902699 499926314 /nfs/dbraw/zinc/92/63/14/499926314.db2.gz DCOJGUYUPMAVGV-KRWDZBQOSA-N 2 0 366.509 3.364 20 0 FGADRP CC[NH2+]Cc1ccccc1NC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000415922338 499928925 /nfs/dbraw/zinc/92/89/25/499928925.db2.gz SHPSVKBQFFUTDF-LAUBAEHRSA-N 2 0 366.509 3.438 20 0 FGADRP CC[NH2+]Cc1cccc(NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000415929427 499929647 /nfs/dbraw/zinc/92/96/47/499929647.db2.gz HAXJCBPXKRZPHM-HXUWFJFHSA-N 2 0 352.482 3.192 20 0 FGADRP C[NH2+]Cc1cccc(NC(=O)N[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)c1 ZINC000415942214 499931142 /nfs/dbraw/zinc/93/11/42/499931142.db2.gz IRMNUNWPLVADFA-JXFKEZNVSA-N 2 0 352.482 3.191 20 0 FGADRP C[N@H+](CCCNC(=O)Nc1ccc2c(c1F)CC[NH2+]C2)C1CCCCC1 ZINC000415950016 499932469 /nfs/dbraw/zinc/93/24/69/499932469.db2.gz CRWNBNGEOCGOND-UHFFFAOYSA-N 2 0 362.493 3.248 20 0 FGADRP CSc1ccc([C@H](CNC(=O)Nc2ccc(C[NH3+])cc2)[NH+](C)C)cc1 ZINC000415959496 499933642 /nfs/dbraw/zinc/93/36/42/499933642.db2.gz OWKNDAFJCDCMGW-SFHVURJKSA-N 2 0 358.511 3.292 20 0 FGADRP C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000415960919 499933972 /nfs/dbraw/zinc/93/39/72/499933972.db2.gz CNUKUPZGGQMBFZ-MLGOLLRUSA-N 2 0 370.419 3.255 20 0 FGADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2cc(C[NH3+])cc(C(F)(F)F)c2)C1 ZINC000415963576 499934193 /nfs/dbraw/zinc/93/41/93/499934193.db2.gz VUQXXNQDAOPUJZ-ZDUSSCGKSA-N 2 0 372.435 3.360 20 0 FGADRP CC(C)[C@H](CNC(=O)Nc1ccc(C[NH3+])cc1)[N@@H+]1CCc2ccccc2C1 ZINC000415974463 499935971 /nfs/dbraw/zinc/93/59/71/499935971.db2.gz LKZNWPOUGRBIAT-NRFANRHFSA-N 2 0 366.509 3.350 20 0 FGADRP C[N@H+](CCNC(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1)C1CCCC1 ZINC000415975646 499936345 /nfs/dbraw/zinc/93/63/45/499936345.db2.gz UFYOBHAHOAJDAC-UHFFFAOYSA-N 2 0 358.408 3.160 20 0 FGADRP CN(C(=O)Nc1ccc2c(c1)C[NH2+]C2)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000415994890 499938878 /nfs/dbraw/zinc/93/88/78/499938878.db2.gz JELOJWNTPMYLEC-HXUWFJFHSA-N 2 0 350.466 3.028 20 0 FGADRP COCc1cccc(OCC2(C[N@@H+]3CC[C@]4(CC[NH+](C)C4)C3)CCC2)c1 ZINC000429044343 499993832 /nfs/dbraw/zinc/99/38/32/499993832.db2.gz UGLAEWDHZFXKRJ-NRFANRHFSA-N 2 0 358.526 3.410 20 0 FGADRP COC(=O)[C@@H]1C[N@H+](CC[C@H]2CCC[NH+]2C)C[C@H]1c1ccc(Cl)cc1 ZINC000429137838 500010419 /nfs/dbraw/zinc/01/04/19/500010419.db2.gz UIKWKYOXEKYTTK-FGTMMUONSA-N 2 0 350.890 3.013 20 0 FGADRP C[C@@H](CCC[NH3+])NC(=O)NCc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000417229978 500011878 /nfs/dbraw/zinc/01/18/78/500011878.db2.gz YMXFWBXEPMFJMS-KRWDZBQOSA-N 2 0 360.546 3.378 20 0 FGADRP C[C@@H]([NH2+]C[C@H](O)CO[C@@H](C)c1ccc(Cl)cc1)C(C)(C)C[NH+](C)C ZINC000573317466 506170743 /nfs/dbraw/zinc/17/07/43/506170743.db2.gz JHOSTRWFULOAOE-DAYGRLMNSA-N 2 0 356.938 3.344 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)NCC[C@H](C)[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000417294762 500031570 /nfs/dbraw/zinc/03/15/70/500031570.db2.gz ITHQHWKMNLYROS-BBRMVZONSA-N 2 0 374.451 3.125 20 0 FGADRP Cc1ccc([C@@H](CNC(=O)NCc2ccc([C@@H](C)[NH3+])cc2)[NH+](C)C)cc1 ZINC000417311986 500036173 /nfs/dbraw/zinc/03/61/73/500036173.db2.gz MWSYFIGNXVWXKU-OXQOHEQNSA-N 2 0 354.498 3.117 20 0 FGADRP Cc1ccc([C@H](CNC(=O)NCc2ccc([C@@H](C)[NH3+])cc2)[NH+](C)C)cc1 ZINC000417311987 500036657 /nfs/dbraw/zinc/03/66/57/500036657.db2.gz MWSYFIGNXVWXKU-UZLBHIALSA-N 2 0 354.498 3.117 20 0 FGADRP C[NH+](C)[C@H](CNC(=O)N[C@@H](CCC[NH3+])c1ccccc1)c1cccs1 ZINC000416448060 500045171 /nfs/dbraw/zinc/04/51/71/500045171.db2.gz SPPBCOQCIQVRNN-DLBZAZTESA-N 2 0 360.527 3.130 20 0 FGADRP CC[NH+](CC)[C@H](C(=O)N1CC[C@@H](C[NH2+]C)C1)c1cccc(C(F)(F)F)c1 ZINC000429459377 500081923 /nfs/dbraw/zinc/08/19/23/500081923.db2.gz YAUJPBDBDIMTTJ-YOEHRIQHSA-N 2 0 371.447 3.156 20 0 FGADRP CCCN(C(=O)NCc1cccc(C[NH+]2CCC(C)CC2)c1)[C@@H]1CC[NH2+]C1 ZINC000417473650 500083639 /nfs/dbraw/zinc/08/36/39/500083639.db2.gz ZIXWLRFULBOPRI-OAQYLSRUSA-N 2 0 372.557 3.202 20 0 FGADRP [NH3+]CCCn1ccc2cc(C(=O)NCC[NH2+]C3CCCCCC3)ccc21 ZINC000429583239 500107859 /nfs/dbraw/zinc/10/78/59/500107859.db2.gz ALGGMQYBYHUDBN-UHFFFAOYSA-N 2 0 356.514 3.032 20 0 FGADRP C[NH+](C)[C@H](CNC(=O)N[C@@H](CCC[NH3+])c1ccccc1)c1ccccc1 ZINC000416808918 500126144 /nfs/dbraw/zinc/12/61/44/500126144.db2.gz PGELXDPLCUDFNL-VQTJNVASSA-N 2 0 354.498 3.069 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)NC1CCC([NH3+])CC1)c1ccccc1Cl ZINC000416832969 500132903 /nfs/dbraw/zinc/13/29/03/500132903.db2.gz IYDDJTZXWYUFAQ-JTTJXQCZSA-N 2 0 366.937 3.292 20 0 FGADRP CCCN(C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1)C1CC[NH2+]CC1 ZINC000416836618 500134030 /nfs/dbraw/zinc/13/40/30/500134030.db2.gz GTQGTHZXABRINM-KRWDZBQOSA-N 2 0 364.559 3.059 20 0 FGADRP [NH3+]CCC[C@H](NC(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1)c1ccccc1 ZINC000416837190 500134433 /nfs/dbraw/zinc/13/44/33/500134433.db2.gz WWQAPINGSKMWER-OALUTQOASA-N 2 0 370.497 3.196 20 0 FGADRP C[NH+](C)Cc1ccc(C(=O)NC[C@@H](C[NH+](C)C)c2ccc(Cl)cc2)cc1 ZINC000576524637 506178430 /nfs/dbraw/zinc/17/84/30/506178430.db2.gz RVJTWTFYSZWRKT-IBGZPJMESA-N 2 0 373.928 3.477 20 0 FGADRP CC[NH+](CC)Cc1ccccc1CNC(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000416889456 500148729 /nfs/dbraw/zinc/14/87/29/500148729.db2.gz KRNQCHFVRZCVDT-OAQYLSRUSA-N 2 0 372.557 3.202 20 0 FGADRP CCC(CC)(CNC(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1)[NH2+][C@@H](C)c1ccccc1 ZINC000417695624 500150250 /nfs/dbraw/zinc/15/02/50/500150250.db2.gz BKDZUQPCFHWMQT-SXLOBPIMSA-N 2 0 372.557 3.289 20 0 FGADRP CCC(CC)(CNC(=O)NCC[C@H]1CC[NH2+]C1)[NH2+][C@H](C)c1ccccc1 ZINC000417702735 500152410 /nfs/dbraw/zinc/15/24/10/500152410.db2.gz KXNSDZGPPXEVFC-QZTJIDSGSA-N 2 0 360.546 3.195 20 0 FGADRP O=C(NCCC[C@H]1CCC[NH2+]1)NCc1ccccc1C[NH+]1CCCCC1 ZINC000416909348 500153082 /nfs/dbraw/zinc/15/30/82/500153082.db2.gz XUWYACBMPJHXCC-HXUWFJFHSA-N 2 0 358.530 3.004 20 0 FGADRP CCC(CC)(CNC(=O)N[C@@H]1CC[NH2+][C@@H](C)C1)[NH2+][C@@H](C)c1ccccc1 ZINC000417705158 500153731 /nfs/dbraw/zinc/15/37/31/500153731.db2.gz NFSVAKORSCCACP-JENIJYKNSA-N 2 0 360.546 3.336 20 0 FGADRP COc1cc(Cl)ccc1[C@@H](C)[NH2+]C[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC000421821716 500158944 /nfs/dbraw/zinc/15/89/44/500158944.db2.gz SZQAGFGMKDZKIE-QAPCUYQASA-N 2 0 353.938 3.271 20 0 FGADRP CCC(CC)[C@@H](CNC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1)[NH+]1CCCC1 ZINC000416942608 500163021 /nfs/dbraw/zinc/16/30/21/500163021.db2.gz BLWGFXUNCBZLKQ-PWRODBHTSA-N 2 0 372.557 3.023 20 0 FGADRP C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)NCCC[C@H]3CCC[NH2+]3)cc2)C1 ZINC000416966269 500168786 /nfs/dbraw/zinc/16/87/86/500168786.db2.gz FMJVPSODGIFNSN-GHTZIAJQSA-N 2 0 372.557 3.250 20 0 FGADRP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000416968529 500169388 /nfs/dbraw/zinc/16/93/88/500169388.db2.gz JJGHAKHADSRNJK-LVCYWYKZSA-N 2 0 372.557 3.330 20 0 FGADRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)NCc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000416973195 500171386 /nfs/dbraw/zinc/17/13/86/500171386.db2.gz UIEYFDWTHKVYHE-RXVVDRJESA-N 2 0 374.573 3.433 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000416976127 500172697 /nfs/dbraw/zinc/17/26/97/500172697.db2.gz NWVUMXPOFRTUFI-WIYYLYMNSA-N 2 0 372.557 3.392 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)NCCC[C@H]2CCC[NH2+]2)cc1 ZINC000416981034 500174020 /nfs/dbraw/zinc/17/40/20/500174020.db2.gz UOYDHABDMWFVMY-WIYYLYMNSA-N 2 0 372.557 3.392 20 0 FGADRP C[C@H](CCNC(=O)N(CC[NH3+])Cc1ccccc1)[N@H+](C)Cc1ccccc1 ZINC000417823251 500179008 /nfs/dbraw/zinc/17/90/08/500179008.db2.gz YHQOZQNJWOHQEX-LJQANCHMSA-N 2 0 368.525 3.068 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)N(CC[NH3+])Cc1ccccc1)c1ccsc1 ZINC000417002679 500181026 /nfs/dbraw/zinc/18/10/26/500181026.db2.gz GFNFVYDDXJLAFJ-IBGZPJMESA-N 2 0 374.554 3.302 20 0 FGADRP COc1ccccc1-n1nccc1C[NH2+]CCCC[N@@H+]1CCC[C@H](C)C1 ZINC000430020602 500182110 /nfs/dbraw/zinc/18/21/10/500182110.db2.gz HKYRVAJQNFLLRV-SFHVURJKSA-N 2 0 356.514 3.483 20 0 FGADRP CCC[NH+]1CCN(c2ccccc2C[N@@H+]2CCOC[C@H](C3CCC3)C2)CC1 ZINC000430116902 500195475 /nfs/dbraw/zinc/19/54/75/500195475.db2.gz DMWBGQYKLSZTSM-JOCHJYFZSA-N 2 0 371.569 3.467 20 0 FGADRP CC1CC[NH+](C[C@H]2CCCN(C(=O)NC3CCC([NH+](C)C)CC3)C2)CC1 ZINC000422235117 500238935 /nfs/dbraw/zinc/23/89/35/500238935.db2.gz FMTMQRNKBIAPDN-XEVCZEQESA-N 2 0 364.578 3.013 20 0 FGADRP C[C@H](NC(=O)N(CCC[NH3+])Cc1ccccc1)[C@@H](c1ccccc1)[NH+](C)C ZINC000418160226 500239541 /nfs/dbraw/zinc/23/95/41/500239541.db2.gz BDKIRJMKHSHQGR-RXVVDRJESA-N 2 0 368.525 3.238 20 0 FGADRP Cc1ccccc1[C@@H]([C@@H](C)NC(=O)N(CC[NH3+])Cc1ccccc1)[NH+](C)C ZINC000418175995 500242709 /nfs/dbraw/zinc/24/27/09/500242709.db2.gz GNSKZJUJONQUIM-WIYYLYMNSA-N 2 0 368.525 3.157 20 0 FGADRP CCC[N@H+](C)[C@H](CNC(=O)N1C[C@H](C[NH3+])C[C@@H]1C)c1ccc(Cl)cc1 ZINC000418177566 500243155 /nfs/dbraw/zinc/24/31/55/500243155.db2.gz HUXIRGXIDDBEIC-RLFYNMQTSA-N 2 0 366.937 3.102 20 0 FGADRP CCC[N@H+](C)[C@H](CNC(=O)NC[C@@H]1CCC[NH2+]C1)c1ccc(Cl)cc1 ZINC000418179576 500243451 /nfs/dbraw/zinc/24/34/51/500243451.db2.gz JNJGACBGSKTACB-CRAIPNDOSA-N 2 0 366.937 3.022 20 0 FGADRP C[C@H](NC(=O)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]C1)[C@@H](c1ccccc1)[NH+](C)C ZINC000418189800 500245837 /nfs/dbraw/zinc/24/58/37/500245837.db2.gz VSUILIYSEXQCRO-KCLUMXDGSA-N 2 0 372.557 3.242 20 0 FGADRP C[C@H]([NH3+])c1ccc(CNC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)cc1 ZINC000418191375 500246340 /nfs/dbraw/zinc/24/63/40/500246340.db2.gz KPLMVJQKGVKEGA-FVJLSDCUSA-N 2 0 366.509 3.169 20 0 FGADRP CCC[N@H+](C)[C@H](CNC(=O)N[C@H]1CC[NH2+]C[C@H]1C)c1ccc(Cl)cc1 ZINC000418192321 500246937 /nfs/dbraw/zinc/24/69/37/500246937.db2.gz YKJIOCBNUKERQJ-FHLIZLRMSA-N 2 0 366.937 3.020 20 0 FGADRP CCc1ccc([C@@H](CNC(=O)N2CC[C@]3(CC[NH2+]C3)C2)[NH+](CC)CC)cc1 ZINC000418215763 500250609 /nfs/dbraw/zinc/25/06/09/500250609.db2.gz NIEOAVBJDVAMAI-IRLDBZIGSA-N 2 0 372.557 3.027 20 0 FGADRP CC[NH2+]CC1CC[NH+](CC(=O)N[C@@H](C)c2cccc3ccccc32)CC1 ZINC000430541970 500251258 /nfs/dbraw/zinc/25/12/58/500251258.db2.gz JKLLQJRBLCLUQZ-KRWDZBQOSA-N 2 0 353.510 3.339 20 0 FGADRP CCCN(C(=O)NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)[C@H]1CC[NH2+]C1 ZINC000418227718 500252811 /nfs/dbraw/zinc/25/28/11/500252811.db2.gz AMPSGUQIPPEUNE-SFTDATJTSA-N 2 0 372.557 3.072 20 0 FGADRP CC[NH2+]CC1CC[NH+](CC(=O)N(Cc2ccccc2)[C@H](C)C2CC2)CC1 ZINC000430584984 500258358 /nfs/dbraw/zinc/25/83/58/500258358.db2.gz QTYCGTKNWXPYSA-GOSISDBHSA-N 2 0 357.542 3.135 20 0 FGADRP [NH3+]CCCOC1CC[NH+](Cc2c(-c3ccccc3)nc3ccccn32)CC1 ZINC000430593366 500259973 /nfs/dbraw/zinc/25/99/73/500259973.db2.gz IVQUFKGALORIOD-UHFFFAOYSA-N 2 0 364.493 3.331 20 0 FGADRP C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)NCC2([NH3+])CCCCC2)CC1 ZINC000418300987 500260006 /nfs/dbraw/zinc/26/00/06/500260006.db2.gz WZXXHDKTRIAPMG-UHFFFAOYSA-N 2 0 372.557 3.202 20 0 FGADRP C[C@H]1C[C@H](N(C)C(=O)NCC2([NH3+])CCCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000418298925 500260109 /nfs/dbraw/zinc/26/01/09/500260109.db2.gz RBAFAVMKPVIZPG-AZUAARDMSA-N 2 0 372.557 3.343 20 0 FGADRP [NH3+]CC1CC[NH+](CC(=O)N[C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000430605496 500261709 /nfs/dbraw/zinc/26/17/09/500261709.db2.gz RIKBZKMQZRHSLI-NRFANRHFSA-N 2 0 371.912 3.216 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@@H]([NH3+])c2ccc(C(C)C)cc2)C[C@H]1C ZINC000418337981 500264859 /nfs/dbraw/zinc/26/48/59/500264859.db2.gz YQOWSZSZBOXFGQ-LSTHTHJFSA-N 2 0 360.546 3.324 20 0 FGADRP CC(C)c1ccc([C@H]([NH3+])CNC(=O)N2CCC(C[NH+]3CCCC3)CC2)cc1 ZINC000418343362 500265104 /nfs/dbraw/zinc/26/51/04/500265104.db2.gz FQFBLRQXUVAWPE-OAQYLSRUSA-N 2 0 372.557 3.327 20 0 FGADRP CCCN(C(=O)NCC[C@H]1CC[NH2+]C1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000418343889 500265486 /nfs/dbraw/zinc/26/54/86/500265486.db2.gz RKKFDYPMJTXRBP-CTNGQTDRSA-N 2 0 372.557 3.072 20 0 FGADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)NC[C@H]([NH3+])c2ccc(C(C)C)cc2)C1 ZINC000418352003 500267024 /nfs/dbraw/zinc/26/70/24/500267024.db2.gz MBNMBNHGHBJAIF-PXNSSMCTSA-N 2 0 360.546 3.183 20 0 FGADRP CC(C)c1ccc([C@@H]([NH3+])CNC(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)cc1 ZINC000418352612 500267204 /nfs/dbraw/zinc/26/72/04/500267204.db2.gz MUNSWDDDQYWDCW-SFTDATJTSA-N 2 0 372.557 3.470 20 0 FGADRP CC[NH+](CC)CCCC1CCN(C(=O)N[C@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000418407566 500273135 /nfs/dbraw/zinc/27/31/35/500273135.db2.gz FVRSIANSHKHJQF-MOPGFXCFSA-N 2 0 352.567 3.048 20 0 FGADRP CC(C)C[C@H](C[NH3+])NC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000418409476 500273416 /nfs/dbraw/zinc/27/34/16/500273416.db2.gz AIESOVRXSNWKAR-DFQSSKMNSA-N 2 0 360.546 3.054 20 0 FGADRP CCCC[C@H](C[NH3+])NC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000418453770 500278603 /nfs/dbraw/zinc/27/86/03/500278603.db2.gz ZLSSVTGNOLYCBT-MISYRCLQSA-N 2 0 360.546 3.198 20 0 FGADRP C[C@H]([NH3+])c1ccc(CNC(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000418488876 500282836 /nfs/dbraw/zinc/28/28/36/500282836.db2.gz KYIREYFDWVHAGK-UWJYYQICSA-N 2 0 366.509 3.122 20 0 FGADRP CN(C)[C@H](C[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ccc(F)cc1 ZINC000422714062 500288807 /nfs/dbraw/zinc/28/88/07/500288807.db2.gz QNVJUEXPQHSYRE-TUNNFDKTSA-N 2 0 369.484 3.274 20 0 FGADRP O=C1CCCN1Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)cc1 ZINC000422715776 500289224 /nfs/dbraw/zinc/28/92/24/500289224.db2.gz MPTSWDPKRAAGFQ-QHAWAJNXSA-N 2 0 355.526 3.209 20 0 FGADRP C[C@H]([NH3+])C[C@H](C)[NH2+]CCSCCOc1cccc(Br)c1 ZINC000422716903 500289577 /nfs/dbraw/zinc/28/95/77/500289577.db2.gz UVHUDQOFQRGXSI-STQMWFEESA-N 2 0 361.349 3.277 20 0 FGADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000422727630 500290998 /nfs/dbraw/zinc/29/09/98/500290998.db2.gz HQPYJPOMQZAHJQ-JQHSSLGASA-N 2 0 355.448 3.387 20 0 FGADRP C[C@@H]1CCC[C@](CN[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)([NH+](C)C)C1 ZINC000422738416 500292574 /nfs/dbraw/zinc/29/25/74/500292574.db2.gz JBLBUSFGKCLXOT-IVOMFYJKSA-N 2 0 357.542 3.342 20 0 FGADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]CC1(c2cccc(Br)c2)CCC1 ZINC000422742870 500292899 /nfs/dbraw/zinc/29/28/99/500292899.db2.gz SKZZWDLPEIQQAC-XKQJLSEDSA-N 2 0 367.331 3.213 20 0 FGADRP COc1ccccc1C1(C[NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)CCCC1 ZINC000422743345 500293086 /nfs/dbraw/zinc/29/30/86/500293086.db2.gz UBPAPGRENJYHNS-DFQSSKMNSA-N 2 0 358.526 3.254 20 0 FGADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CC1(c2ccc(F)cc2)CCOCC1 ZINC000422750887 500294018 /nfs/dbraw/zinc/29/40/18/500294018.db2.gz AOGUICBBASMHQN-OAHLLOKOSA-N 2 0 357.473 3.387 20 0 FGADRP O=C(c1ccccc1)N1CCC(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)CC1 ZINC000422759421 500294348 /nfs/dbraw/zinc/29/43/48/500294348.db2.gz KDSMOUABPJIRAU-QHAWAJNXSA-N 2 0 355.526 3.049 20 0 FGADRP CCOC(=O)C1([C@H](C)[NH2+]CCSCc2ccc(C)cc2)CC[NH2+]CC1 ZINC000422760792 500295481 /nfs/dbraw/zinc/29/54/81/500295481.db2.gz HENQOLPBLYDFEZ-KRWDZBQOSA-N 2 0 364.555 3.139 20 0 FGADRP COc1ccc([C@H](CNC(=O)[C@H]2CCCCCC[C@H]2[NH3+])[NH+]2CCCC2)cc1 ZINC000430850358 500296507 /nfs/dbraw/zinc/29/65/07/500296507.db2.gz KJPSDJSXYGKSMK-HBMCJLEFSA-N 2 0 373.541 3.246 20 0 FGADRP CN(C(=O)NC[C@@H]1[NH2+]CCCC1(C)C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000418622442 500297486 /nfs/dbraw/zinc/29/74/86/500297486.db2.gz VLHJRTFRINGYOU-FQEVSTJZSA-N 2 0 372.557 3.071 20 0 FGADRP c1nc2ccccc2n1CCC[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422794705 500298352 /nfs/dbraw/zinc/29/83/52/500298352.db2.gz ZDWWIVBMDYKWFK-KNQAVFIVSA-N 2 0 362.477 3.272 20 0 FGADRP COc1cc(CC[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)ccc1C ZINC000422790537 500298356 /nfs/dbraw/zinc/29/83/56/500298356.db2.gz UXYLIUSPPBHSRG-SIKLNZKXSA-N 2 0 352.478 3.392 20 0 FGADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CC(C)(C)c1ccc2c(c1)OCCO2 ZINC000422808081 500300455 /nfs/dbraw/zinc/30/04/55/500300455.db2.gz ABJAEXFVHKRDJT-CQSZACIVSA-N 2 0 355.482 3.248 20 0 FGADRP CC[C@@H](C[NH2+][C@@H](C)c1ccc(C[NH3+])nc1C)N1CCc2ccccc2C1 ZINC000422807534 500300720 /nfs/dbraw/zinc/30/07/20/500300720.db2.gz MNOXLYJDFRDMIX-KKSFZXQISA-N 2 0 352.526 3.336 20 0 FGADRP Cc1cccc(N2CC[NH+](CCCC[NH2+][C@H]3CCCC[C@H]3C[NH3+])CC2)c1 ZINC000422809633 500301269 /nfs/dbraw/zinc/30/12/69/500301269.db2.gz MIFIIWNFKSRVQN-UNMCSNQZSA-N 3 0 358.574 3.004 20 0 FGADRP c1cn(Cc2ccccc2)c(CC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)n1 ZINC000422816658 500301969 /nfs/dbraw/zinc/30/19/69/500301969.db2.gz FQFYNOXHSGPYIE-NJDAHSKKSA-N 2 0 352.526 3.374 20 0 FGADRP O=C1CCCN1Cc1ccccc1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000422828738 500303510 /nfs/dbraw/zinc/30/35/10/500303510.db2.gz GQOMZXHREUBRAR-QHAWAJNXSA-N 2 0 355.526 3.209 20 0 FGADRP C[NH+](C)CCN(Cc1ccccc1)C(=O)N[C@H](CCC[NH3+])c1ccccc1 ZINC000418669841 500305117 /nfs/dbraw/zinc/30/51/17/500305117.db2.gz JZQSUXFIOWNEPB-OAQYLSRUSA-N 2 0 368.525 3.240 20 0 FGADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C1CCN(CCc2ccccc2)CC1 ZINC000422850972 500305238 /nfs/dbraw/zinc/30/52/38/500305238.db2.gz WMBLFHNGAMALMP-QGZVFWFLSA-N 2 0 352.526 3.206 20 0 FGADRP CCOc1ccc(C[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1OC ZINC000422847556 500305531 /nfs/dbraw/zinc/30/55/31/500305531.db2.gz RTAPNUPKWRBGOQ-GCJKJVERSA-N 2 0 368.477 3.439 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(C[NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000422860228 500306522 /nfs/dbraw/zinc/30/65/22/500306522.db2.gz LCQSXZKTWRXPQW-HGSOSGBHSA-N 3 0 371.569 3.308 20 0 FGADRP Cc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)c(N2CCOCC2)c1 ZINC000422859233 500306901 /nfs/dbraw/zinc/30/69/01/500306901.db2.gz HDBQENVOHBJUIQ-PCCBWWKXSA-N 2 0 357.542 3.232 20 0 FGADRP C[C@@H]([NH3+])C1CC[NH+](CC(=O)N[C@H](Cc2ccccc2)c2ccccc2)CC1 ZINC000430925483 500307915 /nfs/dbraw/zinc/30/79/15/500307915.db2.gz LWNPVFGREBZCMD-XMSQKQJNSA-N 2 0 365.521 3.146 20 0 FGADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1ccc(N2C[C@@H](C)O[C@@H](C)C2)nc1 ZINC000422876329 500309137 /nfs/dbraw/zinc/30/91/37/500309137.db2.gz GERGKGJOTPJTIJ-XSYGEPLQSA-N 2 0 360.546 3.096 20 0 FGADRP C[C@@H]([NH3+])C1CC[NH+](CCC(=O)N[C@@H](c2cccs2)c2ccccc2)CC1 ZINC000430945215 500311326 /nfs/dbraw/zinc/31/13/26/500311326.db2.gz WGYOWGYFTOKKCY-IIBYNOLFSA-N 2 0 371.550 3.403 20 0 FGADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]C[C@@H]1CCCCN1Cc1cccc(Cl)c1 ZINC000422905334 500314841 /nfs/dbraw/zinc/31/48/41/500314841.db2.gz HVLBOFRABVMDAJ-KNTRFNDTSA-N 2 0 365.949 3.036 20 0 FGADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CCOc1ncc(C(F)(F)F)cc1Cl ZINC000422920840 500317207 /nfs/dbraw/zinc/31/72/07/500317207.db2.gz MXDAEABLMNUKMB-ZWNOBZJWSA-N 2 0 351.800 3.110 20 0 FGADRP C[C@@H]1C[C@H](N(C)C(=O)NCCC[C@@H]2CCC[NH2+]2)CC[N@@H+]1Cc1ccccc1 ZINC000418750129 500318019 /nfs/dbraw/zinc/31/80/19/500318019.db2.gz NNZRQVQOLIBXMN-HLAWJBBLSA-N 2 0 372.557 3.213 20 0 FGADRP CC[NH+]1CCN(Cc2ccc(N[C@H](Cc3ccccc3)[C@H](C)[NH3+])cc2)CC1 ZINC000422927670 500318336 /nfs/dbraw/zinc/31/83/36/500318336.db2.gz ZNLFWXXMPWSSDK-WMZHIEFXSA-N 2 0 366.553 3.195 20 0 FGADRP COc1cc(C[NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)ccc1OC1CCCC1 ZINC000422936451 500319878 /nfs/dbraw/zinc/31/98/78/500319878.db2.gz IDOYDXFRQHCADO-SLFFLAALSA-N 2 0 374.525 3.263 20 0 FGADRP CCOC(=O)C1([C@H](C)[NH2+]CCCc2cccc(Cl)c2)CC[NH2+]CC1 ZINC000422942628 500321049 /nfs/dbraw/zinc/32/10/49/500321049.db2.gz JKMJLYMVHSZYDL-HNNXBMFYSA-N 2 0 352.906 3.184 20 0 FGADRP C[C@H](CC(=O)Nc1ccc(OCC[N@@H+]2CC[C@@H](C)C2)cc1)[C@@H]1CCC[NH2+]C1 ZINC000431011174 500322532 /nfs/dbraw/zinc/32/25/32/500322532.db2.gz BILPCBYOCHPUOA-GUDVDZBRSA-N 2 0 373.541 3.372 20 0 FGADRP C[C@H]([NH2+]C[C@@H]1CCN(c2ccc(Br)cc2)C1)[C@H]1CCCC[NH2+]1 ZINC000422949889 500322712 /nfs/dbraw/zinc/32/27/12/500322712.db2.gz UWGCSIAVELIDRO-RLFYNMQTSA-N 2 0 366.347 3.396 20 0 FGADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(OCCOc2ccccc2)nc1 ZINC000422971505 500325462 /nfs/dbraw/zinc/32/54/62/500325462.db2.gz IUWUFCYQHNGGDE-ICSRJNTNSA-N 2 0 355.482 3.147 20 0 FGADRP C[C@@H](NC(=O)C[NH+]1CCC2(CC[NH2+]C2)CC1)c1ccc(Cl)c(Cl)c1 ZINC000431032802 500326486 /nfs/dbraw/zinc/32/64/86/500326486.db2.gz LZBUILKQTADDLL-CYBMUJFWSA-N 2 0 370.324 3.246 20 0 FGADRP COc1ccc([C@H](C[NH2+][C@@H](C)C[C@@H]2CCCCC[NH2+]2)N(C)C)cc1OC ZINC000422985487 500327326 /nfs/dbraw/zinc/32/73/26/500327326.db2.gz FAQYCUQZTIEJOE-WDSOQIARSA-N 2 0 363.546 3.207 20 0 FGADRP FC(F)(F)c1ccc(OCC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)nc1 ZINC000422989562 500327703 /nfs/dbraw/zinc/32/77/03/500327703.db2.gz LSBKXESYYMEZMD-HRCADAONSA-N 2 0 357.420 3.380 20 0 FGADRP FC(F)(F)c1ccc(OCC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)nc1 ZINC000422989560 500327914 /nfs/dbraw/zinc/32/79/14/500327914.db2.gz LSBKXESYYMEZMD-ARFHVFGLSA-N 2 0 357.420 3.380 20 0 FGADRP c1ccc2c(c1)O[C@@]1(CC[NH2+]C1)C[C@H]2[NH2+]Cc1ccnc(OC2CCC2)c1 ZINC000423008454 500330598 /nfs/dbraw/zinc/33/05/98/500330598.db2.gz AJBVHROCHHWUPB-KNQAVFIVSA-N 2 0 365.477 3.358 20 0 FGADRP FC(F)(F)c1cccc(OCC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)n1 ZINC000423017841 500331750 /nfs/dbraw/zinc/33/17/50/500331750.db2.gz XFVALJRAVNZUJC-QLFBSQMISA-N 2 0 357.420 3.380 20 0 FGADRP C[C@H](CN(C)Cc1ccccc1)[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423025137 500332265 /nfs/dbraw/zinc/33/22/65/500332265.db2.gz KTJMEJQFMIKPSM-JZWVFAODSA-N 2 0 365.521 3.352 20 0 FGADRP CC1(C)[C@H]([NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)C[C@H]1OCc1ccccc1 ZINC000423053644 500336247 /nfs/dbraw/zinc/33/62/47/500336247.db2.gz SDTAEUNGBGMTJJ-FDKIHUSFSA-N 2 0 358.526 3.117 20 0 FGADRP C[C@@H](CCCC[NH3+])[NH2+]C1CCN(Cc2coc(-c3ccccc3)n2)CC1 ZINC000423086117 500340601 /nfs/dbraw/zinc/34/06/01/500340601.db2.gz LHJUMWTURAPKPX-KRWDZBQOSA-N 2 0 356.514 3.413 20 0 FGADRP Fc1ccc(C2CC([NH2+][C@@H]3CCOC[C@@H]3[C@H]3CCC[NH2+]3)C2)cc1Cl ZINC000423094848 500342055 /nfs/dbraw/zinc/34/20/55/500342055.db2.gz CVEGNNYWDQDTNX-XMMNMGKXSA-N 2 0 352.881 3.472 20 0 FGADRP CCC1(CNC(=O)[C@@H]2CCC[N@@H+]2C2CC2)CC[NH+](Cc2ccccc2)CC1 ZINC000426990383 500342098 /nfs/dbraw/zinc/34/20/98/500342098.db2.gz HYTISTDWMOJMNL-NRFANRHFSA-N 2 0 369.553 3.422 20 0 FGADRP CCOC(=O)C1([C@@H](C)[NH2+]Cc2ccc(OCC)c(Cl)c2)CC[NH2+]CC1 ZINC000423101240 500342499 /nfs/dbraw/zinc/34/24/99/500342499.db2.gz IKAAINKSICYKKS-CQSZACIVSA-N 2 0 368.905 3.150 20 0 FGADRP [NH3+][C@H]1C[C@H]([NH2+]C2CCN(C(=O)c3cc(Cl)c[nH]3)CC2)c2ccccc21 ZINC000423115662 500344376 /nfs/dbraw/zinc/34/43/76/500344376.db2.gz YFYCIPNIVGGIJU-IRXDYDNUSA-N 2 0 358.873 3.007 20 0 FGADRP C[C@@H](NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2)[C@H]1CCCC[NH2+]1 ZINC000423127643 500345880 /nfs/dbraw/zinc/34/58/80/500345880.db2.gz CGTQQNWQFLFDLL-CEMLEFRQSA-N 3 0 371.569 3.035 20 0 FGADRP CCOC(=O)C1([C@@H](C)[NH2+]CCc2cc3ccccc3s2)CC[NH2+]CC1 ZINC000423132306 500346767 /nfs/dbraw/zinc/34/67/67/500346767.db2.gz IXZGYZTWLMBSCI-OAHLLOKOSA-N 2 0 360.523 3.355 20 0 FGADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+][C@@H]1CCc2nc(-c3ccc(F)cc3F)cn2C1 ZINC000423147504 500348326 /nfs/dbraw/zinc/34/83/26/500348326.db2.gz CPTQOELELJLIRV-DDUZABMNSA-N 2 0 360.452 3.121 20 0 FGADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000423147834 500348569 /nfs/dbraw/zinc/34/85/69/500348569.db2.gz SWJOVDBMUUDHKJ-NVXWUHKLSA-N 2 0 372.962 3.404 20 0 FGADRP Clc1ccc(OCC[NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)cc1Cl ZINC000423154740 500349407 /nfs/dbraw/zinc/34/94/07/500349407.db2.gz IDCLPULLMKLTGK-XOKHGSTOSA-N 2 0 359.297 3.119 20 0 FGADRP Fc1ccc(N2CC[C@H]([NH2+][C@H]3C[C@]4(CC[NH2+]C4)Oc4ccccc43)C2)cc1 ZINC000423196382 500354011 /nfs/dbraw/zinc/35/40/11/500354011.db2.gz ZTPJUUXFMBUVSV-XJABCFGWSA-N 2 0 367.468 3.250 20 0 FGADRP CC(C)[C@H]([NH3+])C[NH2+][C@H](c1cccc(Br)c1)C1CCOCC1 ZINC000423280694 500360946 /nfs/dbraw/zinc/36/09/46/500360946.db2.gz UIJGPVOUOZOUNA-SJORKVTESA-N 2 0 355.320 3.490 20 0 FGADRP C[C@H]([NH3+])c1ccc(C(=O)N(C)[C@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000423316202 500363276 /nfs/dbraw/zinc/36/32/76/500363276.db2.gz ASAGLRISZCLTKD-UWJYYQICSA-N 2 0 351.494 3.443 20 0 FGADRP COCC[NH2+]CCN[C@H]1c2cc(Br)ccc2SC[C@H]1C ZINC000423319550 500363654 /nfs/dbraw/zinc/36/36/54/500363654.db2.gz CMOXJFKADJSMGF-IAQYHMDHSA-N 2 0 359.333 3.058 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)c1ccc([C@H](C)[NH3+])cc1)Cc1ccccc1 ZINC000423334296 500365236 /nfs/dbraw/zinc/36/52/36/500365236.db2.gz SNXJNQCFRJTQDK-UWJYYQICSA-N 2 0 353.510 3.389 20 0 FGADRP Cc1ccc([C@H](CNC(=O)C(C)(C)[C@H]([NH3+])c2ccccc2)[NH+](C)C)cc1 ZINC000423347990 500366182 /nfs/dbraw/zinc/36/61/82/500366182.db2.gz RPLWDZJQJKJKDC-VQTJNVASSA-N 2 0 353.510 3.440 20 0 FGADRP C[NH2+]CCc1ccccc1C(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000423353493 500366646 /nfs/dbraw/zinc/36/66/46/500366646.db2.gz DJYNPNLSYRGWAL-RBUKOAKNSA-N 2 0 357.542 3.175 20 0 FGADRP C[C@@H]([NH3+])c1ccc(C(=O)NC[C@H]2CCCC[N@@H+]2Cc2ccccc2)cc1 ZINC000423353584 500366709 /nfs/dbraw/zinc/36/67/09/500366709.db2.gz LYMWEZDDMUJSGB-DYESRHJHSA-N 2 0 351.494 3.491 20 0 FGADRP C[NH2+]CCc1ccccc1C(=O)N[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000423360361 500367478 /nfs/dbraw/zinc/36/74/78/500367478.db2.gz LHJOPGKPCXBYEB-YLJYHZDGSA-N 2 0 351.494 3.014 20 0 FGADRP CSc1ccc([C@@H](C)[NH2+]C[C@H](N2CC[NH2+]CC2)C(F)(F)F)cc1F ZINC000423379197 500368748 /nfs/dbraw/zinc/36/87/48/500368748.db2.gz GKCCXMGJKHNYKB-ABAIWWIYSA-N 2 0 365.440 3.034 20 0 FGADRP C[C@H]([NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1cc2c(s1)CCCC2 ZINC000423385466 500369579 /nfs/dbraw/zinc/36/95/79/500369579.db2.gz KRZBMBNSILSBCF-BLLLJJGKSA-N 2 0 361.477 3.114 20 0 FGADRP C[C@@H]([NH3+])c1ccc(C(=O)N2CC[C@@H](C)[N@H+](Cc3ccccc3)CC2)cc1 ZINC000423444161 500375502 /nfs/dbraw/zinc/37/55/02/500375502.db2.gz WMOPCAOCUGTMFN-QZTJIDSGSA-N 2 0 351.494 3.443 20 0 FGADRP COc1ccc2c(c1)C[C@H]([NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)CO2 ZINC000423460870 500375883 /nfs/dbraw/zinc/37/58/83/500375883.db2.gz BPOCRPZOLPIGMQ-HFSMHLIXSA-N 2 0 370.468 3.121 20 0 FGADRP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)C[C@@H]1CCC[NH2+]CC1 ZINC000427273105 500376056 /nfs/dbraw/zinc/37/60/56/500376056.db2.gz HLPNRNCDOTUPAQ-RBUKOAKNSA-N 2 0 357.542 3.457 20 0 FGADRP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)C[C@H]1CCC[NH2+]CC1 ZINC000427273103 500376321 /nfs/dbraw/zinc/37/63/21/500376321.db2.gz HLPNRNCDOTUPAQ-OALUTQOASA-N 2 0 357.542 3.457 20 0 FGADRP O=C1c2ccccc2C(=O)N1[C@@H]1CCCC[C@H]([NH2+]CCC[C@H]2CCC[NH2+]2)C1 ZINC000423470985 500376439 /nfs/dbraw/zinc/37/64/39/500376439.db2.gz DSBHJYXLSUUCAH-FGTMMUONSA-N 2 0 369.509 3.106 20 0 FGADRP CN1CC[NH2+]C[C@H]1CN[C@H](c1ccc(Br)cc1Cl)C1CC1 ZINC000423486285 500377672 /nfs/dbraw/zinc/37/76/72/500377672.db2.gz BINNEVVEBQHATG-BBRMVZONSA-N 2 0 372.738 3.047 20 0 FGADRP CCN(C(=O)C[C@@H]1CCC[NH2+]CC1)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000427288522 500377756 /nfs/dbraw/zinc/37/77/56/500377756.db2.gz PVKSPORJSFDMQV-ZVDOUQERSA-N 2 0 357.542 3.450 20 0 FGADRP C[C@@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)c1ccc(OC(F)F)cc1 ZINC000423510150 500380506 /nfs/dbraw/zinc/38/05/06/500380506.db2.gz MFJAIQVLSJNVQJ-ODIFPOPNSA-N 2 0 353.457 3.155 20 0 FGADRP CCc1ccccc1[C@H]([NH3+])CN[C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000423518027 500381419 /nfs/dbraw/zinc/38/14/19/500381419.db2.gz ZAUXIEQGGAXLRR-WTOYTKOKSA-N 2 0 352.526 3.144 20 0 FGADRP C[C@H]([NH2+]CCC1=CC[NH2+]CC1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000423539862 500383891 /nfs/dbraw/zinc/38/38/91/500383891.db2.gz PLXAOXOLGKYZMB-INIZCTEOSA-N 2 0 362.539 3.363 20 0 FGADRP COc1ccc([C@H]2C[C@@H]2[C@@H](C)[NH2+]Cc2ccncc2OCC[NH+](C)C)cc1 ZINC000579520998 506193749 /nfs/dbraw/zinc/19/37/49/506193749.db2.gz NJKIAABJCALKFL-MAODMQOUSA-N 2 0 369.509 3.312 20 0 FGADRP COc1ccc([C@H](C[NH+]2CCCC2)NC(=O)c2ccc([C@@H](C)[NH3+])cc2)cc1 ZINC000423897070 500417436 /nfs/dbraw/zinc/41/74/36/500417436.db2.gz OONWWVWYUKDWTB-IERDGZPVSA-N 2 0 367.493 3.282 20 0 FGADRP C[NH2+]CC1CC[NH+](Cc2csc(-c3ccc(C(=O)OC)cc3)n2)CC1 ZINC000420298144 500436512 /nfs/dbraw/zinc/43/65/12/500436512.db2.gz RTPUCAABDANKBP-UHFFFAOYSA-N 2 0 359.495 3.028 20 0 FGADRP COc1ccc([C@H](C[NH3+])C[N@H+](Cc2ccccc2)[C@@H](CO)C(C)C)cc1 ZINC000420297909 500436845 /nfs/dbraw/zinc/43/68/45/500436845.db2.gz GNZGOYJDCKGPST-IRLDBZIGSA-N 2 0 356.510 3.257 20 0 FGADRP COc1ccc([C@H](C[NH3+])C[NH+]2CCC(Oc3ccc(F)cc3)CC2)cc1 ZINC000420301605 500437816 /nfs/dbraw/zinc/43/78/16/500437816.db2.gz LPXMXKBZWNPCQG-QGZVFWFLSA-N 2 0 358.457 3.420 20 0 FGADRP COc1ccc([C@@H](C[NH3+])CN2CCC[C@H](C[NH+]3CCCCCC3)C2)cc1 ZINC000420313127 500439145 /nfs/dbraw/zinc/43/91/45/500439145.db2.gz IPRDXXVCRLWOHQ-CTNGQTDRSA-N 2 0 359.558 3.326 20 0 FGADRP COc1ccc([C@H](C[NH3+])CN2CC[NH2+]C[C@H]2c2cccc(Cl)c2)cc1 ZINC000420316262 500440078 /nfs/dbraw/zinc/44/00/78/500440078.db2.gz NARNIVCLGGGFLH-XLIONFOSSA-N 2 0 359.901 3.037 20 0 FGADRP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](Cc2cc(-c3ccc(Cl)cc3)no2)CC1 ZINC000420320746 500441163 /nfs/dbraw/zinc/44/11/63/500441163.db2.gz BTGMUPAFOATRSG-MJGOQNOKSA-N 2 0 361.873 3.323 20 0 FGADRP Clc1cccc(-c2noc(CC[N@@H+]3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)n2)c1 ZINC000420324856 500441502 /nfs/dbraw/zinc/44/15/02/500441502.db2.gz HROLGVIFKYODJB-JKSUJKDBSA-N 2 0 360.889 3.254 20 0 FGADRP O=C([C@H](c1ccccc1)[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1)N1CCCCC1 ZINC000420330547 500442604 /nfs/dbraw/zinc/44/26/04/500442604.db2.gz AUQXNJFNIZRBCA-ACRUOGEOSA-N 2 0 355.526 3.062 20 0 FGADRP CCN(C(=O)C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1)[C@@H](C)c1ccc(F)cc1 ZINC000420333212 500443113 /nfs/dbraw/zinc/44/31/13/500443113.db2.gz SMLMEKPFDHFJTB-WDSOQIARSA-N 2 0 361.505 3.057 20 0 FGADRP C[C@H](c1cc2ccccc2o1)N(C)C(=O)C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000420334211 500443163 /nfs/dbraw/zinc/44/31/63/500443163.db2.gz IVXIGSSLUQEHCG-VQIMIIECSA-N 2 0 369.509 3.416 20 0 FGADRP Cc1cc(F)ccc1N1CCC[C@@H]([NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)C1=O ZINC000420334226 500443365 /nfs/dbraw/zinc/44/33/65/500443365.db2.gz IWPSSFLECLXOLE-AZUAARDMSA-N 2 0 359.489 3.094 20 0 FGADRP CC(C)C[C@H](NC(=O)C[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)c1ccccc1 ZINC000420340155 500444814 /nfs/dbraw/zinc/44/48/14/500444814.db2.gz MSOOQJBYQJNIEX-HKBOAZHASA-N 2 0 357.542 3.212 20 0 FGADRP CC(C)(C)N(Cc1ccccc1)C(=O)C[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420346477 500445509 /nfs/dbraw/zinc/44/55/09/500445509.db2.gz YJFQMIPRMANHSQ-WOJBJXKFSA-N 2 0 357.542 3.135 20 0 FGADRP O=C(C[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)Nc1ccc(Cl)c(Cl)c1 ZINC000420345011 500445766 /nfs/dbraw/zinc/44/57/66/500445766.db2.gz VOBDQJCNHDXNJM-OLZOCXBDSA-N 2 0 356.297 3.253 20 0 FGADRP CC1(C)C[NH2+]CC[C@@H]1[NH2+]CCC(=O)N[C@@H](c1cccs1)c1ccccc1 ZINC000420352842 500446293 /nfs/dbraw/zinc/44/62/93/500446293.db2.gz AYEWYYHHGLNLMX-AZUAARDMSA-N 2 0 371.550 3.322 20 0 FGADRP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](CCCOc2cccc(Cl)c2)CC1 ZINC000420375215 500450323 /nfs/dbraw/zinc/45/03/23/500450323.db2.gz INAAKFHIMZZYFC-RTBURBONSA-N 2 0 352.906 3.327 20 0 FGADRP C[C@@H](c1ccc(C(F)(F)F)cc1)[N@@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000420376277 500450341 /nfs/dbraw/zinc/45/03/41/500450341.db2.gz JUFUQFYBOUGSJM-LRDDRELGSA-N 2 0 353.392 3.154 20 0 FGADRP CC1CC[NH+](Cc2ccccc2C[NH2+][C@@H]2CCN(C(C)(C)C)C2=O)CC1 ZINC000424114348 500455984 /nfs/dbraw/zinc/45/59/84/500455984.db2.gz QOHVSAIPRWYMDR-HXUWFJFHSA-N 2 0 357.542 3.408 20 0 FGADRP CC(C)c1ccc([C@H](C)[N@@H+]2CC[C@H]3[C@H](C2)NC(=O)N3C2CC[NH2+]CC2)cc1 ZINC000420411134 500457465 /nfs/dbraw/zinc/45/74/65/500457465.db2.gz XFJYUQMEDIBUQO-NDXORKPFSA-N 2 0 370.541 3.091 20 0 FGADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)N[C@H]1CC(C)(C)c2ccccc21 ZINC000432162996 500478567 /nfs/dbraw/zinc/47/85/67/500478567.db2.gz MOQMBYLTSHWVIE-FQEVSTJZSA-N 2 0 374.573 3.324 20 0 FGADRP C[C@H]1CC2(C[N@@H+]1Cc1cn(-c3ccc(F)c(Cl)c3)nn1)CC[NH2+]CC2 ZINC000424370090 500492463 /nfs/dbraw/zinc/49/24/63/500492463.db2.gz CCYYIYHWBBIZNQ-ZDUSSCGKSA-N 2 0 363.868 3.024 20 0 FGADRP COc1c(Br)cccc1C[N@@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424371229 500493301 /nfs/dbraw/zinc/49/33/01/500493301.db2.gz DDMHXQBIIZFDOB-CYBMUJFWSA-N 2 0 353.304 3.422 20 0 FGADRP Cc1cc(C[NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)ccc1Br ZINC000432357434 500504443 /nfs/dbraw/zinc/50/44/43/500504443.db2.gz MAZMQQNLBWNFJT-OAHLLOKOSA-N 2 0 355.320 3.348 20 0 FGADRP OCC[C@]1(C[NH2+][C@@H]2CCCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CCOC1 ZINC000428462051 500512618 /nfs/dbraw/zinc/51/26/18/500512618.db2.gz SVDBSEJMRWDDMZ-MYDTUXCISA-N 2 0 372.553 3.056 20 0 FGADRP Cc1cc(CNC(=O)N[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)cc(C)n1 ZINC000420857571 500516720 /nfs/dbraw/zinc/51/67/20/500516720.db2.gz ZVBGERBPRASCBQ-FXAWDEMLSA-N 2 0 352.482 3.161 20 0 FGADRP C[NH+](C)C1CCC(NC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000420901807 500526409 /nfs/dbraw/zinc/52/64/09/500526409.db2.gz MTRYABKNONIFTI-UHFFFAOYSA-N 2 0 372.557 3.345 20 0 FGADRP C[C@H]1C[NH2+]CC[C@H]1NC(=O)c1cccc(C[N@H+](C)Cc2ccccc2)c1 ZINC000432521630 500526552 /nfs/dbraw/zinc/52/65/52/500526552.db2.gz ZDAOWBWKWZNQHK-LAUBAEHRSA-N 2 0 351.494 3.046 20 0 FGADRP C[C@H]([NH2+]Cc1ccc(CN2CCOCC2)cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000420931232 500534363 /nfs/dbraw/zinc/53/43/63/500534363.db2.gz GISJMXCDEKONEP-SIKLNZKXSA-N 2 0 371.569 3.261 20 0 FGADRP CC[N@H+](CCNC(=O)N[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1)C(C)C ZINC000428695588 500545206 /nfs/dbraw/zinc/54/52/06/500545206.db2.gz WSNMKIJTZIXTRT-ICSRJNTNSA-N 2 0 360.546 3.069 20 0 FGADRP CC[N@H+](Cc1ccc(C(=O)N2CCC[C@H]3C[NH+](C)CC[C@H]32)cc1)C1CC1 ZINC000428719575 500548478 /nfs/dbraw/zinc/54/84/78/500548478.db2.gz JWRQXLKRUBQDHF-PZJWPPBQSA-N 2 0 355.526 3.227 20 0 FGADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)NCc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000573483092 506202340 /nfs/dbraw/zinc/20/23/40/506202340.db2.gz IPPKZFHEFURJLC-YADHBBJMSA-N 2 0 365.521 3.420 20 0 FGADRP CSc1ccc(OC[C@H](O)C[NH2+]CC[C@H](C)[NH+]2CCCCC2)cc1 ZINC000576631393 506202473 /nfs/dbraw/zinc/20/24/73/506202473.db2.gz NZMQUJYHLHHTFF-DLBZAZTESA-N 2 0 352.544 3.002 20 0 FGADRP CCC(CC)[C@H](CNC(=O)NC1CCC(C[NH+](C)C)CC1)[NH+]1CCCC1 ZINC000442236980 500573821 /nfs/dbraw/zinc/57/38/21/500573821.db2.gz VZUIFGXMYLKMGD-UUKMXZOPSA-N 2 0 366.594 3.307 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1c[nH]nc1-c1ccc(C)cc1 ZINC000570606372 506203963 /nfs/dbraw/zinc/20/39/63/506203963.db2.gz MVTZJJRROQKWQJ-NRFANRHFSA-N 2 0 369.557 3.233 20 0 FGADRP C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)[C@@H]([NH3+])Cc2ccccc2)CC1 ZINC000573494540 506204244 /nfs/dbraw/zinc/20/42/44/506204244.db2.gz PCYHMWSJPHVQIQ-RXVVDRJESA-N 2 0 357.542 3.060 20 0 FGADRP Cc1ccccc1C[NH+]1CCC(NC(=O)C[NH2+][C@H]2CC3CCC2CC3)CC1 ZINC000433059516 500615818 /nfs/dbraw/zinc/61/58/18/500615818.db2.gz UBVRWRSNQALWIS-AJTFCVKESA-N 2 0 369.553 3.244 20 0 FGADRP C[NH+]1CCC(O)(C[NH2+][C@H]2CC[C@@H](c3ccc(C(F)(F)F)cc3)C2)CC1 ZINC000442788914 500626057 /nfs/dbraw/zinc/62/60/57/500626057.db2.gz GDNIQXXRWKVYBZ-WBVHZDCISA-N 2 0 356.432 3.388 20 0 FGADRP COc1ccc(N(C(=O)CCC[NH+]2CCC([NH3+])CC2)[C@H](C)C2CC2)cc1 ZINC000433134961 500633029 /nfs/dbraw/zinc/63/30/29/500633029.db2.gz HUWNYLLMQNPOCX-MRXNPFEDSA-N 2 0 359.514 3.030 20 0 FGADRP C[C@@H](NC(=O)CCC[NH+]1CCC([NH3+])CC1)c1ccc(C(F)(F)F)cc1 ZINC000433145598 500634359 /nfs/dbraw/zinc/63/43/59/500634359.db2.gz HWWPHMVAZKAVMC-CYBMUJFWSA-N 2 0 357.420 3.086 20 0 FGADRP Cc1ccc(NC(=O)CCC[NH+]2CCC([NH3+])CC2)cc1NC(=O)C(C)(C)C ZINC000433148103 500634943 /nfs/dbraw/zinc/63/49/43/500634943.db2.gz FUTSAXOHDKHVOL-UHFFFAOYSA-N 2 0 374.529 3.121 20 0 FGADRP Cc1ccc(OC(F)F)c([C@@H](C)[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)c1 ZINC000442878877 500638468 /nfs/dbraw/zinc/63/84/68/500638468.db2.gz VOXIXCYLJKHNEM-OAHLLOKOSA-N 2 0 355.473 3.273 20 0 FGADRP CCOc1c(Br)cc(C[N@@H+]2CCC[C@H](CC[NH3+])C2)cc1OC ZINC000442917245 500646751 /nfs/dbraw/zinc/64/67/51/500646751.db2.gz CVAFBBSESQBSQX-CYBMUJFWSA-N 2 0 371.319 3.417 20 0 FGADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H](O)Cc2ccccc2C(F)(F)F)C[C@H]1C ZINC000443409904 500720471 /nfs/dbraw/zinc/72/04/71/500720471.db2.gz YHLQNLDTPJHPNR-PVAVHDDUSA-N 2 0 358.448 3.413 20 0 FGADRP C[C@@H](NC(=O)C[NH+]1CCC(CCC[NH+]2CCCC2)CC1)c1ccccc1 ZINC000443607126 500744534 /nfs/dbraw/zinc/74/45/34/500744534.db2.gz SRSYNKUBAZGOEI-LJQANCHMSA-N 2 0 357.542 3.452 20 0 FGADRP FC(F)(F)[C@H]1CCC[C@H]([NH2+]CCCN2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000438209621 500754680 /nfs/dbraw/zinc/75/46/80/500754680.db2.gz DAGHXSJHSNYSAG-IRXDYDNUSA-N 2 0 370.463 3.304 20 0 FGADRP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(Nc3cc[nH+]cc3)cc2)C1 ZINC000448424802 500759627 /nfs/dbraw/zinc/75/96/27/500759627.db2.gz LFNPBKGJDCZRLX-SFHVURJKSA-N 2 0 366.509 3.345 20 0 FGADRP C[C@H](CC(=O)NCC[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1)C1CC[NH2+]CC1 ZINC000570716191 506215015 /nfs/dbraw/zinc/21/50/15/506215015.db2.gz BYMBNKVNYRBKNF-DYXWJJEUSA-N 2 0 371.569 3.429 20 0 FGADRP C[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+][C@H]2CCCO[C@@H]2c2cnn(C)c2)CC1 ZINC000433960132 500772110 /nfs/dbraw/zinc/77/21/10/500772110.db2.gz ODMCKLPOXIYGQI-VRXWPRPYSA-N 2 0 360.546 3.273 20 0 FGADRP O=C(NC1CC[NH+](Cc2ccc(F)cc2)CC1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000438542640 500799159 /nfs/dbraw/zinc/79/91/59/500799159.db2.gz CMRZYQCHIVWYCP-NRFANRHFSA-N 2 0 373.516 3.313 20 0 FGADRP C[C@@H]([NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1)[C@H](C)N1CCOCC1 ZINC000438839811 500825517 /nfs/dbraw/zinc/82/55/17/500825517.db2.gz VXAFBPDZNFRJCO-ONZKCSKKSA-N 2 0 359.558 3.128 20 0 FGADRP O=C([C@H]1C[C@]12CC[NH2+]C2)N1CC[N@H+](Cc2ccccc2)C2(CCCCC2)C1 ZINC000444265574 500826618 /nfs/dbraw/zinc/82/66/18/500826618.db2.gz AYEBPTJGPCZNRD-IRLDBZIGSA-N 2 0 367.537 3.033 20 0 FGADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NC[C@H](C(C)C)[NH+]1CCC(C)CC1 ZINC000439180138 500866560 /nfs/dbraw/zinc/86/65/60/500866560.db2.gz AZUSICHGTXZWFJ-HSALFYBXSA-N 2 0 364.578 3.011 20 0 FGADRP C[C@H]([NH3+])CCC(=O)N(CC[N@H+](C)Cc1ccccc1)Cc1ccccc1 ZINC000434689657 500880790 /nfs/dbraw/zinc/88/07/90/500880790.db2.gz XFJVYXOMXVHGLQ-IBGZPJMESA-N 2 0 353.510 3.275 20 0 FGADRP C[C@@H]1CC(C)(C)C[C@H]1[NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000434782002 500894226 /nfs/dbraw/zinc/89/42/26/500894226.db2.gz HKEYJDSHSNYJRA-LSTHTHJFSA-N 2 0 357.542 3.298 20 0 FGADRP c1cc2c(cc1C[NH+]1CCC(CC[NH+]3CCOCC3)CC1)OCCCCO2 ZINC000449020569 500900225 /nfs/dbraw/zinc/90/02/25/500900225.db2.gz WFBKXVCGFVFNSC-UHFFFAOYSA-N 2 0 374.525 3.172 20 0 FGADRP COc1cccc2c(C[N@@H+]3CC[C@H](N4CC[NH+](C)CC4)[C@@H](C)C3)cccc12 ZINC000449036095 500907392 /nfs/dbraw/zinc/90/73/92/500907392.db2.gz ITDSQXBZDHQPNQ-AVRDEDQJSA-N 2 0 367.537 3.306 20 0 FGADRP C[C@H](Cc1coc2ccccc12)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000449075753 500918443 /nfs/dbraw/zinc/91/84/43/500918443.db2.gz RXFFIRLGZQJYHD-QGZVFWFLSA-N 2 0 364.493 3.300 20 0 FGADRP CC(C)COc1ccccc1C[NH2+]C1CCN(C2CC[NH+](C)CC2)CC1 ZINC000449107226 500926193 /nfs/dbraw/zinc/92/61/93/500926193.db2.gz LTBAUESCEHFOAY-UHFFFAOYSA-N 2 0 359.558 3.370 20 0 FGADRP C[C@H]1C[NH+](CCCC[NH2+]Cc2cn(C)nc2-c2ccc(F)cc2)C[C@H](C)O1 ZINC000449105572 500926601 /nfs/dbraw/zinc/92/66/01/500926601.db2.gz YYLQRKFFITZWPL-IRXDYDNUSA-N 2 0 374.504 3.205 20 0 FGADRP COc1cccc2c(C[NH2+]C3CC[NH+](C[C@@H]4CCOC4)CC3)cccc12 ZINC000449162804 500937937 /nfs/dbraw/zinc/93/79/37/500937937.db2.gz UBYCTUUETNGCDI-KRWDZBQOSA-N 2 0 354.494 3.439 20 0 FGADRP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@H](CO)Cc2ccc(F)cc2)CC1 ZINC000449204775 500947517 /nfs/dbraw/zinc/94/75/17/500947517.db2.gz JNNJRZWYZCSLLW-JPYJTQIMSA-N 2 0 370.512 3.414 20 0 FGADRP Cc1cccc(NCC[NH2+]C2CC[NH+]([C@H](C)Cc3ccccc3)CC2)n1 ZINC000449223876 500951890 /nfs/dbraw/zinc/95/18/90/500951890.db2.gz KSGLMJONZHQEDA-LJQANCHMSA-N 2 0 352.526 3.487 20 0 FGADRP COc1cc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)ccc1OCc1ccncc1 ZINC000435379593 500964038 /nfs/dbraw/zinc/96/40/38/500964038.db2.gz JUNDVIRGXCUBEE-UFYCRDLUSA-N 2 0 367.493 3.228 20 0 FGADRP CCCN(Cc1ccc(OC)c(OCc2cccnc2)c1)[C@H]1CC[NH2+]C1 ZINC000435384911 500964840 /nfs/dbraw/zinc/96/48/40/500964840.db2.gz OWMJJNCCXLYCRU-IBGZPJMESA-N 2 0 355.482 3.243 20 0 FGADRP COc1ccc(C[N@@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)cc1OCc1cccnc1 ZINC000435384219 500965240 /nfs/dbraw/zinc/96/52/40/500965240.db2.gz LNYLTJZOOHPFGV-APWZRJJASA-N 2 0 355.482 3.228 20 0 FGADRP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccc(-n4ccc(C(F)(F)F)n4)cc3)C[C@H]12 ZINC000435387574 500965667 /nfs/dbraw/zinc/96/56/67/500965667.db2.gz ASMRHJVRWALUKB-VNQPRFMTSA-N 2 0 350.388 3.060 20 0 FGADRP COC(=O)c1ccc(CN(Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)cc1 ZINC000435391470 500966733 /nfs/dbraw/zinc/96/67/33/500966733.db2.gz FGMWRTLCHIAMNC-HXUWFJFHSA-N 2 0 353.466 3.013 20 0 FGADRP C[N@@H+]1CCN(CC[NH2+]C2CC[NH+](C(C)(C)CC(C)(C)C)CC2)CC1(C)C ZINC000449300768 500970746 /nfs/dbraw/zinc/97/07/46/500970746.db2.gz FSEYTYYQQWGQMJ-UHFFFAOYSA-N 3 0 366.638 3.281 20 0 FGADRP C[C@H](Cc1ccccc1)C[N@H+](Cc1nccn1C)[C@@H]1CC12CC[NH2+]CC2 ZINC000435432431 500975008 /nfs/dbraw/zinc/97/50/08/500975008.db2.gz IRDOBAJHBHLDNZ-UYAOXDASSA-N 2 0 352.526 3.243 20 0 FGADRP Cc1cccc(C[NH+]2CCC(OCCN3C[C@@H](C)O[C@@H](C)C3)CC2)c1F ZINC000449325636 500977518 /nfs/dbraw/zinc/97/75/18/500977518.db2.gz OHEZDGQRGWTHQP-HDICACEKSA-N 2 0 364.505 3.224 20 0 FGADRP C[C@@H]1C[C@H]([NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)[C@@H](C)O1 ZINC000449345408 500982980 /nfs/dbraw/zinc/98/29/80/500982980.db2.gz VMGATZLOZHPFKK-QCFAMHMHSA-N 2 0 358.526 3.071 20 0 FGADRP CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000440184133 500985027 /nfs/dbraw/zinc/98/50/27/500985027.db2.gz HRDPNLDOKPKGBC-WOJBJXKFSA-N 2 0 364.578 3.157 20 0 FGADRP COc1ccccc1OCCN(Cc1ccccn1)[C@H]1CCC[NH2+]CC1 ZINC000435615524 501002336 /nfs/dbraw/zinc/00/23/36/501002336.db2.gz JLQRENMUNGIGPT-IBGZPJMESA-N 2 0 355.482 3.113 20 0 FGADRP CN(Cc1cc(Cl)cc(Cl)c1)C(=O)CN(C)[C@H]1CCC[NH2+]CC1 ZINC000435627971 501004753 /nfs/dbraw/zinc/00/47/53/501004753.db2.gz SRAUTVPIZYGFPR-INIZCTEOSA-N 2 0 358.313 3.026 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N(C)CC1([NH+](C)C)CCC1)Cc1ccccc1 ZINC000446132225 501079681 /nfs/dbraw/zinc/07/96/81/501079681.db2.gz USDDYFIGYOTGJL-FQEVSTJZSA-N 2 0 374.573 3.065 20 0 FGADRP Cn1ccnc1[C@@H]1C[C@@H]([NH2+]CC(C)(C)C[N@H+](C)Cc2ccccc2)CCO1 ZINC000449772259 501082596 /nfs/dbraw/zinc/08/25/96/501082596.db2.gz KSOHLMFRTFPGRH-PMACEKPBSA-N 2 0 370.541 3.388 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)NCC2([NH+](C)C)CCC2)CC1 ZINC000446625384 501143623 /nfs/dbraw/zinc/14/36/23/501143623.db2.gz SYCHRPQGXFWXNL-GOSISDBHSA-N 2 0 364.578 3.157 20 0 FGADRP C=Cn1cc(C[NH2+]CCc2ccc(OCC[NH+]3C[C@H](C)[C@@H](C)C3)cc2)cn1 ZINC000446816706 501168308 /nfs/dbraw/zinc/16/83/08/501168308.db2.gz GSIQWARSXPBWPZ-OALUTQOASA-N 2 0 368.525 3.283 20 0 FGADRP COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]CC1CC[NH+](C2CC2)CC1)CC3 ZINC000446884704 501176836 /nfs/dbraw/zinc/17/68/36/501176836.db2.gz QLIXDSJUSCRZJU-MRXNPFEDSA-N 2 0 353.510 3.498 20 0 FGADRP COc1cc(C[NH+]2CCC(C)(C[NH+]3CCN(C)CC3)CC2)ccc1Cl ZINC000450746786 501199933 /nfs/dbraw/zinc/19/99/33/501199933.db2.gz RUVFHCZHDZPINF-UHFFFAOYSA-N 2 0 365.949 3.198 20 0 FGADRP CCc1cc(N2CCC[C@H](C[NH+]3CCN(c4ccccn4)CC3)C2)cc[nH+]1 ZINC000450289830 501226794 /nfs/dbraw/zinc/22/67/94/501226794.db2.gz BYDIXORYXWRKRX-LJQANCHMSA-N 2 0 365.525 3.078 20 0 FGADRP CC[NH+](Cc1cc(C[N@@H+](CC)[C@@H]2CCOC2)ccc1F)[C@H]1CCOC1 ZINC000451047664 501241813 /nfs/dbraw/zinc/24/18/13/501241813.db2.gz CZIXMKMQOZJZJU-MOPGFXCFSA-N 2 0 350.478 3.047 20 0 FGADRP CC[C@@H]([NH2+]Cc1ccccc1CN1CC[NH+](CC)CC1)c1ccncc1 ZINC000453067937 501261972 /nfs/dbraw/zinc/26/19/72/501261972.db2.gz SGSHUFAZBCPQHV-JOCHJYFZSA-N 2 0 352.526 3.460 20 0 FGADRP COCCN1CCC([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)CC1 ZINC000453077059 501263730 /nfs/dbraw/zinc/26/37/30/501263730.db2.gz VYYQYZNLCGTBRO-ZRBLBEILSA-N 2 0 371.569 3.130 20 0 FGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H](C)c2ncc(-c3ccccc3)n2C)CC1 ZINC000453105115 501270508 /nfs/dbraw/zinc/27/05/08/501270508.db2.gz GWOVTMBQWVUAHG-RTBURBONSA-N 2 0 369.557 3.011 20 0 FGADRP Cc1ccccc1C[NH+]1CCC(NC(=O)N(C)[C@H]2CC[N@@H+](C(C)C)C2)CC1 ZINC000457632419 501272427 /nfs/dbraw/zinc/27/24/27/501272427.db2.gz FQPXQZZCUOLAGC-NRFANRHFSA-N 2 0 372.557 3.084 20 0 FGADRP C[C@H](Cc1cnccn1)[NH2+]CCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000453120955 501273289 /nfs/dbraw/zinc/27/32/89/501273289.db2.gz DAXONWMHPRTMKJ-LJQANCHMSA-N 2 0 368.525 3.069 20 0 FGADRP CC1CC[NH+](Cc2ccccc2CNC(=O)NC(C)(C)C[NH+](C)C)CC1 ZINC000457669702 501283197 /nfs/dbraw/zinc/28/31/97/501283197.db2.gz XTDFIJACKAENTQ-UHFFFAOYSA-N 2 0 360.546 3.058 20 0 FGADRP COc1ccc2c(c1)C[C@H]([NH2+]C[C@@H]1CC[N@H+](Cc3ccccc3)C1)CO2 ZINC000453207934 501291312 /nfs/dbraw/zinc/29/13/12/501291312.db2.gz BYDNDIJXIDSGER-ICSRJNTNSA-N 2 0 352.478 3.110 20 0 FGADRP Cc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)c(=O)n1C ZINC000453209095 501292102 /nfs/dbraw/zinc/29/21/02/501292102.db2.gz CTABQCGIYQXIMH-BDTNDASRSA-N 2 0 365.521 3.227 20 0 FGADRP C[C@H]1CCC[C@@H]([NH+]2CCC([N@H+]3C[C@H]4C[C@H](Cn5c(=O)cccc54)C3)CC2)C1 ZINC000453286647 501308365 /nfs/dbraw/zinc/30/83/65/501308365.db2.gz RADYERICGMXDFX-CTAFRAEOSA-N 2 0 369.553 3.311 20 0 FGADRP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000455483503 501315503 /nfs/dbraw/zinc/31/55/03/501315503.db2.gz YDOMPDJMCAVAPL-VTHDOGFWSA-N 2 0 372.557 3.067 20 0 FGADRP CNC(=O)C[C@H](C)[NH2+][C@H](CCC[NH+]1CCC(C)CC1)c1ccc(F)cc1 ZINC000453386326 501323576 /nfs/dbraw/zinc/32/35/76/501323576.db2.gz VECIOQNBZRTFAU-FXAWDEMLSA-N 2 0 363.521 3.493 20 0 FGADRP CC[C@H]([NH2+][C@H](CCC[NH+]1CCC(C)CC1)c1ccc(F)cc1)C(=O)NC ZINC000453396220 501324171 /nfs/dbraw/zinc/32/41/71/501324171.db2.gz HINOYXIOWZCDSV-VQTJNVASSA-N 2 0 363.521 3.493 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)NC(C)(C)CCC[NH+](C)C)C1 ZINC000457920490 501334863 /nfs/dbraw/zinc/33/48/63/501334863.db2.gz FJIMAUWVBGFIFA-CALCHBBNSA-N 2 0 354.583 3.163 20 0 FGADRP C[C@@H]1C[C@H]([NH2+]C[C@H](O)COC(c2ccccc2)c2ccccc2)CC[N@@H+]1C ZINC000582482287 506248529 /nfs/dbraw/zinc/24/85/29/506248529.db2.gz YXHDESLHEXQSRM-QIJUGHKUSA-N 2 0 368.521 3.226 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N1CCC[N@H+](C)CC1)c1ccccc1Cl ZINC000611664391 506249102 /nfs/dbraw/zinc/24/91/02/506249102.db2.gz GSZXFHLIJYGLEP-GOSISDBHSA-N 2 0 366.937 3.070 20 0 FGADRP C[NH+](C)[C@H]1CCc2cc(NC(=O)N3CCCC34CC[NH+](C)CC4)ccc21 ZINC000455919636 501415617 /nfs/dbraw/zinc/41/56/17/501415617.db2.gz LJJVRHKRDWJEIA-IBGZPJMESA-N 2 0 356.514 3.328 20 0 FGADRP C[N@@H+]1CCC[C@@H]1CC[NH2+][C@@H]1CN(CC(F)(F)F)C[C@H]1c1ccccc1 ZINC000452025215 501420621 /nfs/dbraw/zinc/42/06/21/501420621.db2.gz QRNOLDBKCAKFTL-FGTMMUONSA-N 2 0 355.448 3.091 20 0 FGADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)N1CC[C@@]2(C1)CCC[N@H+](C)C2)c1ccccc1 ZINC000458381086 501431940 /nfs/dbraw/zinc/43/19/40/501431940.db2.gz VOPCQUPYLKDMNN-GCJKJVERSA-N 2 0 372.557 3.243 20 0 FGADRP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)NC(C)(C)C[NH+]2CCCC2)CC1 ZINC000458424772 501441328 /nfs/dbraw/zinc/44/13/28/501441328.db2.gz VNRHCDYCDVLXOJ-GOSISDBHSA-N 2 0 372.557 3.386 20 0 FGADRP CC[N@H+](Cc1ccc(C(=O)N2CC[NH+](C3CC3)C[C@H](C)C2)cc1)C(C)C ZINC000452174549 501453173 /nfs/dbraw/zinc/45/31/73/501453173.db2.gz QIHWYEGNKURYKD-SFHVURJKSA-N 2 0 357.542 3.473 20 0 FGADRP C[C@@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000456317121 501496451 /nfs/dbraw/zinc/49/64/51/501496451.db2.gz GFHIXBCRDZIBHF-IRFPFTSISA-N 2 0 369.553 3.071 20 0 FGADRP CC[C@@H]1C[N@H+](CC)CCN1C(=O)N[C@H](C)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000458654957 501499976 /nfs/dbraw/zinc/49/99/76/501499976.db2.gz BWDGGRFZDPKMOH-HLAWJBBLSA-N 2 0 372.557 3.023 20 0 FGADRP O=C(NCCCCC[NH+]1CCCC1)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000454344508 501519095 /nfs/dbraw/zinc/51/90/95/501519095.db2.gz URSUHSMTGUOQPW-NRFANRHFSA-N 2 0 372.557 3.216 20 0 FGADRP CCc1ccc([C@H](CNC(=O)N2CC[C@@H](C[NH+](C)C)C2)[NH+](CC)CC)cc1 ZINC000458792081 501532817 /nfs/dbraw/zinc/53/28/17/501532817.db2.gz LCNZSEIZVNQPCF-FPOVZHCZSA-N 2 0 374.573 3.225 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H](CC(C)C)C[NH+]2CCCC2)C[C@@H]1C ZINC000458933508 501561662 /nfs/dbraw/zinc/56/16/62/501561662.db2.gz IRAAEPDNRJEFHQ-FHWLQOOXSA-N 2 0 352.567 3.011 20 0 FGADRP C[C@H]1C[C@H](N(C)C(=O)NCC2([NH+](C)Cc3ccccc3)CCC2)CC[N@@H+]1C ZINC000458972857 501568078 /nfs/dbraw/zinc/56/80/78/501568078.db2.gz LGCZSFFSCRQFPD-AZUAARDMSA-N 2 0 372.557 3.165 20 0 FGADRP C[N@H+](CCCCNC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1)C1CC1 ZINC000459149666 501604086 /nfs/dbraw/zinc/60/40/86/501604086.db2.gz GSMYGXRPARFKCJ-IBGZPJMESA-N 2 0 364.578 3.158 20 0 FGADRP C[C@@H]1CN(c2ccccc2C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)CCO1 ZINC000459363557 501639580 /nfs/dbraw/zinc/63/95/80/501639580.db2.gz RJDYXVXNOPAGEW-XQFWAAQXSA-N 2 0 369.553 3.360 20 0 FGADRP CC(=O)N1CC[C@H]([NH2+]C2CCN(c3cc[nH+]cc3)CC2)c2ccccc21 ZINC000459449520 501655959 /nfs/dbraw/zinc/65/59/59/501655959.db2.gz ZIVUFYZOIXOWLT-FQEVSTJZSA-N 2 0 350.466 3.138 20 0 FGADRP C[NH+](C)CC(=O)N1CCCCC[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000457194461 501663834 /nfs/dbraw/zinc/66/38/34/501663834.db2.gz KLMLGJNZZRJJID-NRFANRHFSA-N 2 0 357.542 3.231 20 0 FGADRP COC(=O)[C@H](Cc1ccccc1)[C@H](C)[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000459515916 501667915 /nfs/dbraw/zinc/66/79/15/501667915.db2.gz DCHJPRDZBXWBAH-LAUBAEHRSA-N 2 0 367.493 3.060 20 0 FGADRP CNC(=O)CC[N@@H+]1CCCCC[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000459537654 501672419 /nfs/dbraw/zinc/67/24/19/501672419.db2.gz SBOCPNNDFPXPJR-NRFANRHFSA-N 2 0 357.542 3.279 20 0 FGADRP CC(C)(C)O[C@@H]1C[C@H]([NH2+]C2CCN(c3cc[nH+]cc3)CC2)[C@@H]1n1cccn1 ZINC000459570857 501679008 /nfs/dbraw/zinc/67/90/08/501679008.db2.gz MWULFAQRDAKDMZ-ZCNNSNEGSA-N 2 0 369.513 3.034 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)NCC[C@@H]1CCC[N@H+](C)C1)c1ccccc1 ZINC000457457429 501701937 /nfs/dbraw/zinc/70/19/37/501701937.db2.gz NQTKMAIVSPVTHG-ICSRJNTNSA-N 2 0 360.546 3.101 20 0 FGADRP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH+]2CCC[C@H]2C2CCC2)CC1 ZINC000477623557 501741260 /nfs/dbraw/zinc/74/12/60/501741260.db2.gz AYSOOZNZFDVJNR-QFIPXVFZSA-N 2 0 369.553 3.294 20 0 FGADRP C[NH+](C)CCOc1ccc(CC[NH2+][C@@H](c2cncc(F)c2)C2CC2)cc1 ZINC000467352302 501775324 /nfs/dbraw/zinc/77/53/24/501775324.db2.gz GBLXJSJKBZLSQI-OAQYLSRUSA-N 2 0 357.473 3.445 20 0 FGADRP CC[C@@H](C)[N@H+](C)CCNC(=O)N(C)[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000470718457 501780871 /nfs/dbraw/zinc/78/08/71/501780871.db2.gz SGKMWJQWXKDUSA-UYAOXDASSA-N 2 0 360.546 3.023 20 0 FGADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](C[C@@H](O)Cc2ccc3ccccc3c2)C1 ZINC000470757934 501792934 /nfs/dbraw/zinc/79/29/34/501792934.db2.gz VYTCZLSGHHEZMY-GOTSBHOMSA-N 2 0 370.537 3.176 20 0 FGADRP C[NH+](C)[C@@H](CNC(=O)C[N@@H+]1CCC[C@]2(CC=CCC2)C1)c1ccccc1 ZINC000460378494 501808647 /nfs/dbraw/zinc/80/86/47/501808647.db2.gz CIHPSSLPOCSCEB-RBBKRZOGSA-N 2 0 355.526 3.228 20 0 FGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccccc2-n2ccnc2)[C@@H](C)C1 ZINC000481544823 501809874 /nfs/dbraw/zinc/80/98/74/501809874.db2.gz BMAPOZQDJVOWCG-AZUAARDMSA-N 2 0 356.514 3.099 20 0 FGADRP COC(=O)c1csc(-c2cccc(C[NH2+][C@H]3CC[N@H+](C)C[C@H]3C)c2)n1 ZINC000477860056 501811971 /nfs/dbraw/zinc/81/19/71/501811971.db2.gz LYYFUCZJKPAHHX-CJNGLKHVSA-N 2 0 359.495 3.027 20 0 FGADRP C[C@H](C(=O)NC(C)(C)C)[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000485476918 501832231 /nfs/dbraw/zinc/83/22/31/501832231.db2.gz QNUUDGKHGLBUGT-GOSISDBHSA-N 2 0 357.542 3.278 20 0 FGADRP C[C@@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+]1CCCC2(CCC2)C1 ZINC000470865176 501833837 /nfs/dbraw/zinc/83/38/37/501833837.db2.gz FPCXZNKZZIKLPA-ICSRJNTNSA-N 2 0 355.526 3.032 20 0 FGADRP C[NH+](C)CCN(Cc1ccccc1)C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000485641024 501885479 /nfs/dbraw/zinc/88/54/79/501885479.db2.gz YRMUILITJYFDMY-FQEVSTJZSA-N 2 0 357.542 3.231 20 0 FGADRP CCCC[N@H+](C)C[C@@H](C)NC(=O)N[C@@H](C)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000460659752 501888497 /nfs/dbraw/zinc/88/84/97/501888497.db2.gz XQDUFRQYZIHUKV-FGTMMUONSA-N 2 0 352.567 3.059 20 0 FGADRP Cc1ccccc1-n1nccc1C[NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000474598973 501888722 /nfs/dbraw/zinc/88/87/22/501888722.db2.gz LXJLSOQDSYLRJH-RTBURBONSA-N 2 0 356.514 3.160 20 0 FGADRP C[NH+](C)Cc1ccccc1C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000485660402 501891027 /nfs/dbraw/zinc/89/10/27/501891027.db2.gz HVHJHNHULANSCV-UHFFFAOYSA-N 2 0 351.494 3.274 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C/C=C\c1ccc(F)cc1 ZINC000474629629 501900304 /nfs/dbraw/zinc/90/03/04/501900304.db2.gz NBOIHDDYNPQOMT-MWGFUINXSA-N 2 0 361.505 3.104 20 0 FGADRP CC[N@@H+]1CCCC[C@H]1C(=O)Nc1cc(C)cc(N2CC[NH+](C(C)C)CC2)c1 ZINC000482033023 501953234 /nfs/dbraw/zinc/95/32/34/501953234.db2.gz REPHFSLIFCLWED-NRFANRHFSA-N 2 0 372.557 3.338 20 0 FGADRP CC[C@]1(C)CC[N@@H+]([C@@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000468113667 501961213 /nfs/dbraw/zinc/96/12/13/501961213.db2.gz QBPRBKDWTZPADC-PGRDOPGGSA-N 2 0 357.542 3.278 20 0 FGADRP CNC(=O)C[C@H]([NH2+][C@H](C)c1cccc(OCC[NH+](C)C)c1)c1ccccc1 ZINC000482075619 501965985 /nfs/dbraw/zinc/96/59/85/501965985.db2.gz XKJSQYWDFUIKCJ-UTKZUKDTSA-N 2 0 369.509 3.155 20 0 FGADRP CCC[N@H+](CC)C[C@H](C)NC(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000460948546 501966965 /nfs/dbraw/zinc/96/69/65/501966965.db2.gz KQVGQHHKEQCZCO-HDYDNRTBSA-N 2 0 366.594 3.449 20 0 FGADRP CC(C)(CNC(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1)C[NH+]1CCCC1 ZINC000478406976 501970647 /nfs/dbraw/zinc/97/06/47/501970647.db2.gz GHDQMDMORHQXMX-FQEVSTJZSA-N 2 0 372.557 3.072 20 0 FGADRP CC1(C)Cc2occc2[C@H]([NH2+]CCCN2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000482113429 501978813 /nfs/dbraw/zinc/97/88/13/501978813.db2.gz KOMFPDUZDVCPTI-HXUWFJFHSA-N 2 0 368.525 3.490 20 0 FGADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCC(=O)NCc1ccccc1 ZINC000482113104 501979056 /nfs/dbraw/zinc/97/90/56/501979056.db2.gz XISLZEMQYICMIK-SIKLNZKXSA-N 2 0 365.521 3.193 20 0 FGADRP c1ccc2c(c1)CCC[C@H]2[NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000482126382 501982375 /nfs/dbraw/zinc/98/23/75/501982375.db2.gz XOOXJBBUVODTKK-JOCHJYFZSA-N 2 0 350.510 3.261 20 0 FGADRP COc1ccnc(CN2C[C@H](C)[N@H+](Cc3ccccc3)C[C@@H]2C)c1OC ZINC000474978857 502009243 /nfs/dbraw/zinc/00/92/43/502009243.db2.gz NKOCNIVYTQQYRH-IRXDYDNUSA-N 2 0 355.482 3.194 20 0 FGADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCc1ccc(C[NH+]2CCC[C@H](C)C2)cc1 ZINC000468430292 502057159 /nfs/dbraw/zinc/05/71/59/502057159.db2.gz SYUSKJOTAWIJSZ-GBESFXJTSA-N 2 0 357.542 3.408 20 0 FGADRP CC(C)[C@H]1CC[C@@H](C)C[C@H]1[NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000482441410 502068759 /nfs/dbraw/zinc/06/87/59/502068759.db2.gz USOPIWVOZLJJSI-NJDAHSKKSA-N 2 0 373.589 3.429 20 0 FGADRP CC[C@@H]([NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1)C1CCCCC1 ZINC000482444535 502069260 /nfs/dbraw/zinc/06/92/60/502069260.db2.gz HVGFMBISXRVPMS-HXUWFJFHSA-N 2 0 359.562 3.327 20 0 FGADRP C[C@@H](CNC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCCC[C@H]1C ZINC000475127664 502069375 /nfs/dbraw/zinc/06/93/75/502069375.db2.gz DEPSPCXMADLJOT-SVFBPWRDSA-N 2 0 372.557 3.165 20 0 FGADRP C[C@H](CNC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCC[C@@H](C)C1 ZINC000475136783 502075275 /nfs/dbraw/zinc/07/52/75/502075275.db2.gz PFKHECVAVBNQOT-SFHLNBCPSA-N 2 0 372.557 3.023 20 0 FGADRP C[C@@H](CNC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)C1)C[NH+]1CCCCC1 ZINC000475140329 502076968 /nfs/dbraw/zinc/07/69/68/502076968.db2.gz RYWNOHAXCRJXKQ-FPOVZHCZSA-N 2 0 372.557 3.024 20 0 FGADRP C[NH+](C)[C@H](CNC(=O)C[NH2+][C@]1(C)CCCc2ccccc21)c1ccccc1 ZINC000475145158 502080465 /nfs/dbraw/zinc/08/04/65/502080465.db2.gz OXCBGMNORLUAJT-FYYLOGMGSA-N 2 0 365.521 3.247 20 0 FGADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)NCC(C)(C)C[NH+]2CCCC2)C1 ZINC000478791411 502086571 /nfs/dbraw/zinc/08/65/71/502086571.db2.gz DRUHYNZEUUHBLS-UYAOXDASSA-N 2 0 372.557 3.243 20 0 FGADRP CC(C)c1ccc(NC(=O)C[C@H](C)[NH2+][C@@H](C)CCN2CC[NH+](C)CC2)cc1 ZINC000471613786 502087784 /nfs/dbraw/zinc/08/77/84/502087784.db2.gz YKPUUBUTZRGGQM-OALUTQOASA-N 2 0 374.573 3.143 20 0 FGADRP CCN(C(=O)N[C@H](C)C[NH+]1CCCCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475170326 502088484 /nfs/dbraw/zinc/08/84/84/502088484.db2.gz CGTKTFXKCATMID-TZIWHRDSSA-N 2 0 372.557 3.167 20 0 FGADRP CC[C@H]([NH2+][C@@H](C)CCN1CC[NH+](C)CC1)c1cc(Cl)ccc1OC ZINC000471620256 502091087 /nfs/dbraw/zinc/09/10/87/502091087.db2.gz PWQJTPWHAWWZDU-YJBOKZPZSA-N 2 0 353.938 3.415 20 0 FGADRP Cc1cccc(NC[C@@H]2CC[N@@H+]([C@H]3CCCN(CC(C)(C)C)C3=O)C2)[nH+]1 ZINC000461394894 502092812 /nfs/dbraw/zinc/09/28/12/502092812.db2.gz QMWWXYOCOMRTDM-ROUUACIJSA-N 2 0 358.530 3.161 20 0 FGADRP CC(C)[NH+]1CCC(O)(C[NH2+][C@H](C)Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000468562234 502106700 /nfs/dbraw/zinc/10/67/00/502106700.db2.gz ZJIOQZPTJVGUDW-OAHLLOKOSA-N 2 0 358.448 3.461 20 0 FGADRP C[C@@H]([NH2+]CCCN1CCC[N@H+](C)CC1)c1ccc(-c2ccncc2)cc1 ZINC000482568663 502113321 /nfs/dbraw/zinc/11/33/21/502113321.db2.gz IIGAGYDLUBAXMG-LJQANCHMSA-N 2 0 352.526 3.427 20 0 FGADRP CCC[C@H]([NH2+]C(C)C)C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461445092 502117316 /nfs/dbraw/zinc/11/73/16/502117316.db2.gz BTSRRIVEBAJWES-HBMCJLEFSA-N 2 0 357.542 3.134 20 0 FGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCCC[NH+](Cc2ccccc2)C1 ZINC000461473184 502128047 /nfs/dbraw/zinc/12/80/47/502128047.db2.gz QCWFVZLYMGDBHO-LEWJYISDSA-N 2 0 357.542 3.279 20 0 FGADRP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CCCC[NH+](Cc2ccccc2)C1 ZINC000461473187 502128360 /nfs/dbraw/zinc/12/83/60/502128360.db2.gz QCWFVZLYMGDBHO-SFTDATJTSA-N 2 0 357.542 3.279 20 0 FGADRP NC(=O)[C@H]1CCCN1CCC[NH2+][C@H]1CCCSc2ccc(Cl)cc21 ZINC000482633882 502134187 /nfs/dbraw/zinc/13/41/87/502134187.db2.gz RXRZTKTUBWWRHM-JKSUJKDBSA-N 2 0 367.946 3.196 20 0 FGADRP Cn1cc(CN2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)c(C(C)(C)C)n1 ZINC000475332310 502137898 /nfs/dbraw/zinc/13/78/98/502137898.db2.gz JDQZEXGVONJGLK-KDURUIRLSA-N 2 0 352.526 3.281 20 0 FGADRP CC(C)(CC[NH+]1CCCCCC1)NC(=O)NCCC[NH+]1CCCCC1 ZINC000482672862 502147618 /nfs/dbraw/zinc/14/76/18/502147618.db2.gz QIJSMKXMQOGEII-UHFFFAOYSA-N 2 0 352.567 3.206 20 0 FGADRP [NH3+]C[C@H](Cc1ccccc1)[C@@H]1CCCC[N@@H+]1CCC(=O)NC1CCCC1 ZINC000471875210 502161514 /nfs/dbraw/zinc/16/15/14/502161514.db2.gz WJXUTRQDNSTOMM-FPOVZHCZSA-N 2 0 357.542 3.107 20 0 FGADRP C[C@H](C[NH+]1CCCCCC1)NC(=O)NCCCC[N@@H+]1CCCC[C@H]1C ZINC000482738801 502166479 /nfs/dbraw/zinc/16/64/79/502166479.db2.gz GUCRGDQTJCIWLG-RTBURBONSA-N 2 0 352.567 3.205 20 0 FGADRP CC(C)[C@@H]1CN(C(=O)NC2CC[NH+]([C@@H](C)c3ccccc3)CC2)CC[N@@H+]1C ZINC000486512527 502177600 /nfs/dbraw/zinc/17/76/00/502177600.db2.gz ADMREMYACLVTMX-RXVVDRJESA-N 2 0 372.557 3.194 20 0 FGADRP Cc1nc(-c2ccccc2)oc1C[N@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000602785415 506298837 /nfs/dbraw/zinc/29/88/37/506298837.db2.gz PIKLJUVZECPQRT-FQEVSTJZSA-N 2 0 368.525 3.250 20 0 FGADRP CCCN(CCC[NH+](C)C)C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000468847968 502204696 /nfs/dbraw/zinc/20/46/96/502204696.db2.gz DTMSCGLXZUQGCM-HXUWFJFHSA-N 2 0 360.546 3.024 20 0 FGADRP CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)NCC(C)(C)[NH2+][C@@H](C)c2ccccc2)C1 ZINC000465180155 502208280 /nfs/dbraw/zinc/20/82/80/502208280.db2.gz XIEZJSVYEYYMQW-ZIFCJYIRSA-N 2 0 360.546 3.144 20 0 FGADRP CN(C(=O)[C@@H]1CC[NH+](C2CCCCC2)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475546690 502209480 /nfs/dbraw/zinc/20/94/80/502209480.db2.gz DXHFZBDTARLKES-IFMALSPDSA-N 2 0 369.553 3.374 20 0 FGADRP C[NH+]1CCC(C(=O)NC[C@H]2CCCCN2Cc2cccc(Cl)c2)CC1 ZINC000468900365 502223146 /nfs/dbraw/zinc/22/31/46/502223146.db2.gz KRAOFHHSLBIEJE-LJQANCHMSA-N 2 0 363.933 3.153 20 0 FGADRP COc1c[nH+]ccc1N1CC[NH+](Cc2cccc(-c3ccccn3)c2)CC1 ZINC000475618453 502229393 /nfs/dbraw/zinc/22/93/93/502229393.db2.gz UFKQPYIAPYQCSL-UHFFFAOYSA-N 2 0 360.461 3.474 20 0 FGADRP CC(C)(CNC(=O)c1ccc(Nc2cc[nH+]cc2)cc1)C[NH+]1CCCC1 ZINC000482990787 502238375 /nfs/dbraw/zinc/23/83/75/502238375.db2.gz WHAGHMRDIUTPIB-UHFFFAOYSA-N 2 0 352.482 3.099 20 0 FGADRP C[C@H](C[NH2+][C@H](C)CCCCN1C(=O)c2ccccc2C1=O)C[NH+]1CCCC1 ZINC000472143878 502246811 /nfs/dbraw/zinc/24/68/11/502246811.db2.gz IZZOOBUJCKMWKY-QZTJIDSGSA-N 2 0 371.525 3.163 20 0 FGADRP CCOC(=O)c1cnccc1NCc1ccc(N2CCCCCC2)nc1 ZINC000479400435 502247667 /nfs/dbraw/zinc/24/76/67/502247667.db2.gz RFIPZGJWAKSLLJ-UHFFFAOYSA-N 2 0 354.454 3.068 20 0 FGADRP CCc1ccc([C@H](C)NC(=O)N(CC[NH+](C)C)C[C@@H]2CCC[N@H+]2CC)cc1 ZINC000465420088 502256619 /nfs/dbraw/zinc/25/66/19/502256619.db2.gz HNYWIVSNNHFFOM-RXVVDRJESA-N 2 0 374.573 3.368 20 0 FGADRP CCCC[N@H+](C)CC1CC[NH+](CCC(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000486809466 502270032 /nfs/dbraw/zinc/27/00/32/502270032.db2.gz FMUWTUZNZNSAJJ-UHFFFAOYSA-N 2 0 374.525 3.475 20 0 FGADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2cc(-c3ccc(F)cc3)no2)C1 ZINC000472257620 502287466 /nfs/dbraw/zinc/28/74/66/502287466.db2.gz IKCLMRQPSGHXES-SFHVURJKSA-N 2 0 361.461 3.413 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N(C)CC[C@H]1CCCC[N@@H+]1C)CC(C)C ZINC000465581040 502315038 /nfs/dbraw/zinc/31/50/38/502315038.db2.gz XKIXPHIIOMIBLT-MOPGFXCFSA-N 2 0 354.583 3.259 20 0 FGADRP CC[NH+]1CCN(Cc2ccccc2C[NH2+]C/C=C/c2ccncc2)CC1 ZINC000486960511 502316119 /nfs/dbraw/zinc/31/61/19/502316119.db2.gz ATIQBZNUXLUZMA-AATRIKPKSA-N 2 0 350.510 3.022 20 0 FGADRP Cn1nnc2cc(C[N@@H+]3CCCC[C@H]3[C@H](C[NH3+])Cc3ccccc3)ccc21 ZINC000472370011 502332766 /nfs/dbraw/zinc/33/27/66/502332766.db2.gz OXGNYOXJNWNDNB-FPOVZHCZSA-N 2 0 363.509 3.140 20 0 FGADRP O=C1Nc2cc(Cl)ccc2[C@H]1C1CC[NH+](CCC2CC[NH2+]CC2)CC1 ZINC000479679696 502341687 /nfs/dbraw/zinc/34/16/87/502341687.db2.gz ZANOFLNNNHLKDI-LJQANCHMSA-N 2 0 361.917 3.477 20 0 FGADRP CC[NH+](CC)CCNC(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000475970389 502347221 /nfs/dbraw/zinc/34/72/21/502347221.db2.gz PHIPQLKTTUQGLF-JOCHJYFZSA-N 2 0 372.557 3.026 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)N1CC[N@H+](C)[C@H](C(C)C)C1)c1ccsc1 ZINC000487103827 502360362 /nfs/dbraw/zinc/36/03/62/502360362.db2.gz OCAHUIGCEQBMAI-ROUUACIJSA-N 2 0 366.575 3.113 20 0 FGADRP CCN(C(=O)NC[C@@H](C)[NH+](CC)CC)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000472475102 502362918 /nfs/dbraw/zinc/36/29/18/502362918.db2.gz FGHNYIDQGQJVEJ-UYAOXDASSA-N 2 0 360.546 3.023 20 0 FGADRP C[C@@H](C[NH+]1CCCCCC1)NC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000479807954 502383221 /nfs/dbraw/zinc/38/32/21/502383221.db2.gz SGGXWVSWXUEDIX-IBGZPJMESA-N 2 0 357.542 3.279 20 0 FGADRP Cc1cc(-n2ccnc2)ccc1C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000483577368 502436902 /nfs/dbraw/zinc/43/69/02/502436902.db2.gz CXEUIIQWVHEGSG-UHFFFAOYSA-N 2 0 368.525 3.115 20 0 FGADRP CC(C)c1nc2c([nH]1)C[C@@H](C(=O)NCc1ccc(CC[NH+](C)C)cc1)CC2 ZINC000469491168 502438303 /nfs/dbraw/zinc/43/83/03/502438303.db2.gz CGJGXDCRIOHOAL-SFHVURJKSA-N 2 0 368.525 3.059 20 0 FGADRP COc1cccc2c1CC[C@H]2[NH2+]CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000480037637 502454352 /nfs/dbraw/zinc/45/43/52/502454352.db2.gz RALSHWQRNBFOOK-JOCHJYFZSA-N 2 0 365.521 3.090 20 0 FGADRP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N1CCC[NH+](CC2CCCCC2)CC1 ZINC000462534550 502477751 /nfs/dbraw/zinc/47/77/51/502477751.db2.gz CBSVZQLICWTQFK-GOSISDBHSA-N 2 0 352.567 3.013 20 0 FGADRP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000462535742 502478812 /nfs/dbraw/zinc/47/88/12/502478812.db2.gz QBAVOTFOAOOQEH-CEXWTWQISA-N 2 0 352.567 3.011 20 0 FGADRP COc1cc2c(cc1F)[nH+]ccc2N1C[C@@H](SC)[C@H]([NH+]2CCCC2)C1 ZINC000480172267 502490777 /nfs/dbraw/zinc/49/07/77/502490777.db2.gz SGNDRVFRPSOYHE-IEBWSBKVSA-N 2 0 361.486 3.399 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@@H](C)[NH+](C)Cc2ccccc2)C[C@H]1C ZINC000483794500 502494774 /nfs/dbraw/zinc/49/47/74/502494774.db2.gz QIJLIVUNPLHZKK-GGPKGHCWSA-N 2 0 360.546 3.021 20 0 FGADRP C[NH+](C)CCOc1ccc(CC[NH2+]Cc2nccn2-c2ccccc2)cc1 ZINC000480362796 502546726 /nfs/dbraw/zinc/54/67/26/502546726.db2.gz ZINNUEAZNGCRKT-UHFFFAOYSA-N 2 0 364.493 3.145 20 0 FGADRP COC(=O)c1cc(C[NH2+]C2CCC([NH+]3CCC(C)CC3)CC2)n(C)c1C ZINC000462785876 502572486 /nfs/dbraw/zinc/57/24/86/502572486.db2.gz SIJQOWXOMKSZRU-UHFFFAOYSA-N 2 0 361.530 3.253 20 0 FGADRP CC(C)c1nn(-c2ccccc2)cc1C[NH+]1CCC(OCCC[NH3+])CC1 ZINC000469864577 502574460 /nfs/dbraw/zinc/57/44/60/502574460.db2.gz VSTKNSPEIASKRN-UHFFFAOYSA-N 2 0 356.514 3.326 20 0 FGADRP CCOCCOc1ccc(Br)cc1CN1C[C@@H](C[NH3+])C[C@@H]1C ZINC000469865545 502574726 /nfs/dbraw/zinc/57/47/26/502574726.db2.gz JUNSNDFXODAACM-UONOGXRCSA-N 2 0 371.319 3.034 20 0 FGADRP CC1CC[NH+](CCC[C@@H]([NH2+][C@@H]2CC(=O)N(C)C2)c2ccc(F)cc2)CC1 ZINC000462803076 502581108 /nfs/dbraw/zinc/58/11/08/502581108.db2.gz PUEXITBLSILBIV-WOJBJXKFSA-N 2 0 361.505 3.199 20 0 FGADRP C[NH+]1CCC(C[NH2+][C@H]2CCCc3ccc(O)cc32)(N2CCCCC2)CC1 ZINC000462810479 502583737 /nfs/dbraw/zinc/58/37/37/502583737.db2.gz CSKKCFYCDIKSMT-NRFANRHFSA-N 2 0 357.542 3.310 20 0 FGADRP CC(=O)NCCC[NH2+][C@@H](CCC[NH+]1CCC(C)CC1)c1ccc(F)cc1 ZINC000462811757 502584155 /nfs/dbraw/zinc/58/41/55/502584155.db2.gz XSQMAQBRRGOYCL-NRFANRHFSA-N 2 0 363.521 3.495 20 0 FGADRP C[C@@H]([NH2+]C[C@@]1(O)CCN(Cc2ccccc2)C1)c1ccc2c(c1)CCC2 ZINC000484155854 502588326 /nfs/dbraw/zinc/58/83/26/502588326.db2.gz FJOQMVDQMGAFJJ-JPYJTQIMSA-N 2 0 350.506 3.463 20 0 FGADRP C[C@H](NC(=O)NCc1cccc(C[NH+](C)C)c1)[C@H](c1ccccc1)[NH+](C)C ZINC000480572078 502607591 /nfs/dbraw/zinc/60/75/91/502607591.db2.gz RIQKQXXRZXJMGQ-LAUBAEHRSA-N 2 0 368.525 3.239 20 0 FGADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000473501990 502612561 /nfs/dbraw/zinc/61/25/61/502612561.db2.gz BTNXQDOCTAWHFD-TXTKFYIRSA-N 2 0 369.553 3.374 20 0 FGADRP CC[C@@H](C)[NH2+][C@H](CNC(=O)NCc1cccc(C[NH+](C)C)c1)c1ccco1 ZINC000480595937 502614940 /nfs/dbraw/zinc/61/49/40/502614940.db2.gz PJVAWCBRZDVZFC-VQIMIIECSA-N 2 0 372.513 3.270 20 0 FGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000473510104 502615430 /nfs/dbraw/zinc/61/54/30/502615430.db2.gz VFPWNFUNSBOAJW-FYYLOGMGSA-N 2 0 369.553 3.376 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+]C2CCN(Cc3ccccn3)CC2)C1 ZINC000480601503 502616368 /nfs/dbraw/zinc/61/63/68/502616368.db2.gz AOCPGVYUMIGMPN-BGYRXZFFSA-N 3 0 358.574 3.394 20 0 FGADRP C[C@H](C(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1)[NH+]1CCCCCC1 ZINC000469979806 502617222 /nfs/dbraw/zinc/61/72/22/502617222.db2.gz ABKIXAVZJGNNBZ-LJQANCHMSA-N 2 0 373.541 3.042 20 0 FGADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H](C)c2ccc(OCC(F)(F)F)cc2)CC1 ZINC000480607924 502619501 /nfs/dbraw/zinc/61/95/01/502619501.db2.gz JRUQFDDMANEATJ-HZPDHXFCSA-N 2 0 373.463 3.304 20 0 FGADRP C[C@H]([NH2+]Cc1cccc(C[NH+](C)C)c1)[C@H](c1ccccc1)N1CCOCC1 ZINC000480621144 502623834 /nfs/dbraw/zinc/62/38/34/502623834.db2.gz IYKCGHWKXRXXGC-WMZHIEFXSA-N 2 0 367.537 3.300 20 0 FGADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]C[C@H]1CCN(c2ccccc2F)C1 ZINC000462910037 502623822 /nfs/dbraw/zinc/62/38/22/502623822.db2.gz JPNPPWVNKXDURB-QGZVFWFLSA-N 2 0 365.456 3.331 20 0 FGADRP CCC(C)(C)[NH2+][C@H](C)C(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000473529220 502624385 /nfs/dbraw/zinc/62/43/85/502624385.db2.gz WECGLCKJOBSMJP-LRVUVFPRSA-N 2 0 363.468 3.075 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H](NC[C@@H](C2CCCCC2)[NH+](C)C)[C@@H](C)C1 ZINC000480722892 502652664 /nfs/dbraw/zinc/65/26/64/502652664.db2.gz QNTGHSFYMGXOOO-JBACZVJFSA-N 2 0 353.595 3.224 20 0 FGADRP C[NH+](C)Cc1cc(CNC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)ccc1F ZINC000480722728 502652705 /nfs/dbraw/zinc/65/27/05/502652705.db2.gz CJGUNVOGAHOFAO-QGZVFWFLSA-N 2 0 361.505 3.158 20 0 FGADRP C[C@@H](NC(=O)N[C@@H](C)C[N@@H+]1CCC[C@@H](C)C1)[C@@H](c1ccccc1)[NH+](C)C ZINC000484591104 502678307 /nfs/dbraw/zinc/67/83/07/502678307.db2.gz NGRLZIUBTWHFDP-RMJJICAUSA-N 2 0 360.546 3.097 20 0 FGADRP CC[NH+](CC)CC1CC[NH+]([C@@H](C)C(=O)N[C@@H]2CCOc3ccccc32)CC1 ZINC000488402907 502705054 /nfs/dbraw/zinc/70/50/54/502705054.db2.gz ASXYKUWDQRKKST-FXAWDEMLSA-N 2 0 373.541 3.069 20 0 FGADRP CC(C)[N@@H+]1CCc2nc(CNCC(C)(C)C[NH+]3CCCC3)sc2C1 ZINC000480940277 502709801 /nfs/dbraw/zinc/70/98/01/502709801.db2.gz UVJIGGFPVZFZEJ-UHFFFAOYSA-N 2 0 350.576 3.121 20 0 FGADRP CC(C)(C)NC(=O)C[NH+]1CCC(C[NH2+][C@H]2CS[C@@H](C(C)(C)C)C2)CC1 ZINC000488419537 502709864 /nfs/dbraw/zinc/70/98/64/502709864.db2.gz UYWBAOAKWLGJJX-IAGOWNOFSA-N 2 0 369.619 3.123 20 0 FGADRP CCCC[N@H+](CC)Cc1cccc(CNC(=O)N2CC[C@H](C[NH+](C)C)C2)c1 ZINC000484717935 502718708 /nfs/dbraw/zinc/71/87/08/502718708.db2.gz YYDGRMDLDWMJDM-OAQYLSRUSA-N 2 0 374.573 3.402 20 0 FGADRP O=C(Nc1ccc(CC[NH+]2CCSCC2)cc1)c1ccc2c(c1)C[NH2+]C2 ZINC000470355917 502748041 /nfs/dbraw/zinc/74/80/41/502748041.db2.gz ZCMPGRCMRXSFBU-UHFFFAOYSA-N 2 0 367.518 3.133 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)NC1CC([NH+]2CCCCC2)C1)c1ccccc1 ZINC000473986832 502771851 /nfs/dbraw/zinc/77/18/51/502771851.db2.gz YYPOEWRQEXIVSK-XVAXZDLZSA-N 2 0 372.557 3.386 20 0 FGADRP Cc1ccccc1C[NH+]1CCC(NC(=O)C[NH2+][C@@H]2CCC[C@H](C)[C@@H]2C)CC1 ZINC000481185998 502777937 /nfs/dbraw/zinc/77/79/37/502777937.db2.gz HCYZZDJVXRPCJF-LQBOVUBWSA-N 2 0 371.569 3.490 20 0 FGADRP CC(C)[NH+](CCCNC(=O)NC[C@@H](C)[N@@H+]1CCc2ccccc2C1)C(C)C ZINC000470470673 502787980 /nfs/dbraw/zinc/78/79/80/502787980.db2.gz NWMUQHUTOQJTHX-LJQANCHMSA-N 2 0 374.573 3.241 20 0 FGADRP C[C@H]([NH3+])[C@H]1CC[N@H+](CCC(=O)N[C@@H](c2cccs2)c2ccccc2)C1 ZINC000484984286 502792885 /nfs/dbraw/zinc/79/28/85/502792885.db2.gz CHEUNDGWSJBUNY-RIFZZMRRSA-N 2 0 357.523 3.013 20 0 FGADRP CN(Cc1ccccc1)CC(C)(C)C[NH2+]CC1(S(C)(=O)=O)CCCC1 ZINC000513021846 502832209 /nfs/dbraw/zinc/83/22/09/502832209.db2.gz KUMDBOHZRZHRSJ-UHFFFAOYSA-N 2 0 366.571 3.092 20 0 FGADRP CCC[NH+]1CCN(c2ccccc2CN2CCC([NH2+]C(C)C)CC2)CC1 ZINC000513042585 502836628 /nfs/dbraw/zinc/83/66/28/502836628.db2.gz YPQDIQVCHQZSGR-UHFFFAOYSA-N 2 0 358.574 3.181 20 0 FGADRP C[C@@H](C(=O)N1CCC[NH+](CCCc2ccccc2)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000513070144 502844436 /nfs/dbraw/zinc/84/44/36/502844436.db2.gz OJYDOEBUVKAGCA-HBMCJLEFSA-N 2 0 371.569 3.415 20 0 FGADRP CCC[N@H+](CC)Cc1ccc(C(=O)N2C[C@@H]([NH+](C)C)[C@@H](SC)C2)cc1 ZINC000495696488 502857925 /nfs/dbraw/zinc/85/79/25/502857925.db2.gz LOLVUNWWEKWYDI-MOPGFXCFSA-N 2 0 363.571 3.036 20 0 FGADRP O=C([C@@H]1CCC[N@@H+]1C1CCCC1)N1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000505157559 502860432 /nfs/dbraw/zinc/86/04/32/502860432.db2.gz WZUFEFSUGSDDFB-XLIONFOSSA-N 2 0 370.541 3.332 20 0 FGADRP CC[N@H+](Cc1ccc(C(=O)N2C[C@@H]([NH+](C)C)[C@@H](SC)C2)cc1)C(C)C ZINC000495728412 502861211 /nfs/dbraw/zinc/86/12/11/502861211.db2.gz NSZKAQNTJWLOPW-MOPGFXCFSA-N 2 0 363.571 3.035 20 0 FGADRP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccc(C[NH+](CC)C2CC2)cc1 ZINC000489058965 502870513 /nfs/dbraw/zinc/87/05/13/502870513.db2.gz GQEMEGMTDHIZHA-CTNGQTDRSA-N 2 0 355.526 3.370 20 0 FGADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)NCCC[NH+](C)C1CCCCC1 ZINC000500840093 502875084 /nfs/dbraw/zinc/87/50/84/502875084.db2.gz POWJVQXWCBCCJN-SFHVURJKSA-N 2 0 352.567 3.205 20 0 FGADRP CCN(C(=O)C[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1)c1ccccc1 ZINC000501031832 502916914 /nfs/dbraw/zinc/91/69/14/502916914.db2.gz ZZOKURZTZYYUBB-UHFFFAOYSA-N 2 0 366.509 3.283 20 0 FGADRP CCc1oc(C(=O)OC)cc1C[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501067801 502927396 /nfs/dbraw/zinc/92/73/96/502927396.db2.gz KFOVZELOFNSDJL-UHFFFAOYSA-N 2 0 371.481 3.372 20 0 FGADRP CC[C@@H](C)[NH2+][C@H](CNC(=O)NCC[N@@H+]1CCCC(C)(C)C1)c1ccco1 ZINC000509586529 502941841 /nfs/dbraw/zinc/94/18/41/502941841.db2.gz HIWVRARCKIFJFS-IAGOWNOFSA-N 2 0 364.534 3.130 20 0 FGADRP COc1ccc2c(c1)CCC[C@@H]2[N@H+](C)CCCN1CC[NH+](C(C)C)CC1 ZINC000501132305 502945858 /nfs/dbraw/zinc/94/58/58/502945858.db2.gz RMFPJXWEIQZAQW-QFIPXVFZSA-N 2 0 359.558 3.421 20 0 FGADRP C[C@@H]1C[N@@H+](CCCC[NH2+][C@H](Cc2ccccn2)c2cccnc2)C[C@H](C)O1 ZINC000513505469 502955189 /nfs/dbraw/zinc/95/51/89/502955189.db2.gz KOGCAWJLYCMSIL-XQBPLPMBSA-N 2 0 368.525 3.239 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cc2ccccc2nc1C ZINC000505760818 502980162 /nfs/dbraw/zinc/98/01/62/502980162.db2.gz YJMDXNDUEUFHJB-IBGZPJMESA-N 2 0 368.525 3.031 20 0 FGADRP C/C(=C\c1ccccc1C(F)(F)F)C[NH2+][C@H](C)CN1CC[NH+](C)CC1 ZINC000501417208 503006275 /nfs/dbraw/zinc/00/62/75/503006275.db2.gz AMVRLKGUDYBZLG-ASNKMWSDSA-N 2 0 355.448 3.334 20 0 FGADRP CC(C)[NH+]1CCC(N(C)CCC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000509915414 503011056 /nfs/dbraw/zinc/01/10/56/503011056.db2.gz ZHPKNKUYRDGFRY-UHFFFAOYSA-N 2 0 358.574 3.003 20 0 FGADRP C[C@H](CNC(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000501492570 503020468 /nfs/dbraw/zinc/02/04/68/503020468.db2.gz VPEAPUZRBFCNFR-RTBURBONSA-N 2 0 372.557 3.071 20 0 FGADRP C[C@H](CNC(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1)[N@@H+]1CCCC[C@H]1C ZINC000501528326 503029348 /nfs/dbraw/zinc/02/93/48/503029348.db2.gz CSRADAQNBSONJN-SFHLNBCPSA-N 2 0 372.557 3.386 20 0 FGADRP C[C@H](CNC(=O)NCCC[N@H+](C)Cc1ccccc1)[NH+]1CCCC[C@@H]1C ZINC000501531024 503030368 /nfs/dbraw/zinc/03/03/68/503030368.db2.gz KAXDTIQUQHITQY-RBUKOAKNSA-N 2 0 360.546 3.071 20 0 FGADRP C[C@H](CNC(=O)N1CCC[N@H+](Cc2ccccc2)CC1)[NH+]1CCCC[C@@H]1C ZINC000501545440 503033758 /nfs/dbraw/zinc/03/37/58/503033758.db2.gz IJSRQQBIDRMDOB-VQTJNVASSA-N 2 0 372.557 3.167 20 0 FGADRP CC(C)(C[NH2+][C@@H]1CCCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)OCCO ZINC000489795871 503037596 /nfs/dbraw/zinc/03/75/96/503037596.db2.gz KTWZETFQISVKTI-PCCBWWKXSA-N 2 0 360.542 3.054 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NCCC[NH+]1CCCCC1 ZINC000489861510 503051628 /nfs/dbraw/zinc/05/16/28/503051628.db2.gz OJZZYGKEWVDAKL-CTNGQTDRSA-N 2 0 372.557 3.072 20 0 FGADRP CC(C)[NH+](CCNC(=O)N1CCC(CCC[NH+]2CCCC2)CC1)C(C)C ZINC000506177935 503063595 /nfs/dbraw/zinc/06/35/95/503063595.db2.gz SMEIUZIATSNXNM-UHFFFAOYSA-N 2 0 366.594 3.403 20 0 FGADRP Cc1ccc(NC(=O)NC(=O)C[NH+]2CCC(CCC[NH+](C)C)CC2)cc1C ZINC000501785772 503079188 /nfs/dbraw/zinc/07/91/88/503079188.db2.gz NAXWFSWAVYEQNM-UHFFFAOYSA-N 2 0 374.529 3.005 20 0 FGADRP [NH3+]CC[C@H]1CCCCN1Cc1cnn(-c2ccc(Br)cc2)c1 ZINC000489991529 503084553 /nfs/dbraw/zinc/08/45/53/503084553.db2.gz UNIRDUNFGUEDMQ-MRXNPFEDSA-N 2 0 363.303 3.338 20 0 FGADRP CC[C@H](CNC(=O)[C@H](C)[NH+]1CCCCCC1)[N@@H+]1CCc2ccccc2C1 ZINC000510306291 503088345 /nfs/dbraw/zinc/08/83/45/503088345.db2.gz JHNXJHIXGSGQGG-GHTZIAJQSA-N 2 0 357.542 3.204 20 0 FGADRP CCCN(CC[NH+]1CCCCC1)C(=O)NCC[C@@H](C)[NH+]1CCCCC1 ZINC000501871812 503099113 /nfs/dbraw/zinc/09/91/13/503099113.db2.gz MQSWZDQZDMJOKU-LJQANCHMSA-N 2 0 352.567 3.158 20 0 FGADRP C[NH+](CCNC(=O)NCCC[N@@H+](C)C1CCCCC1)C1CCCCC1 ZINC000514217952 503115984 /nfs/dbraw/zinc/11/59/84/503115984.db2.gz GOHNQXFBOHZTBP-UHFFFAOYSA-N 2 0 352.567 3.205 20 0 FGADRP Cc1ccc([C@@H](CNC(=O)NCC[N@H+]2CCCC[C@H]2C)[NH+]2CCCC2)cc1 ZINC000514229271 503119656 /nfs/dbraw/zinc/11/96/56/503119656.db2.gz PFLSFTAOAUHVRG-TZIWHRDSSA-N 2 0 372.557 3.306 20 0 FGADRP CCC[NH+]1CCN(c2ccccc2CN2CCC[C@@H]([NH+]3CCCC3)C2)CC1 ZINC000510468482 503121668 /nfs/dbraw/zinc/12/16/68/503121668.db2.gz CRXBEJBMUGBXKT-JOCHJYFZSA-N 2 0 370.585 3.279 20 0 FGADRP C[C@H](NC(=O)NCc1ccccc1C[NH+]1CCCCC1)C1=CC[N@H+](C)CC1 ZINC000510514551 503130519 /nfs/dbraw/zinc/13/05/19/503130519.db2.gz UYWXBPXXQLNUQH-SFHVURJKSA-N 2 0 370.541 3.122 20 0 FGADRP CCc1ccc([C@H](CNC(=O)N2CC[NH+](C3CCCC3)CC2)[NH+](C)C)cc1 ZINC000514564596 503137271 /nfs/dbraw/zinc/13/72/71/503137271.db2.gz JEBFVNNWKNCLGC-NRFANRHFSA-N 2 0 372.557 3.122 20 0 FGADRP Cc1cccc([C@H]([NH2+]CCCN2CC[NH+](C)CC2)c2cccc(F)c2)c1 ZINC000510670332 503168898 /nfs/dbraw/zinc/16/88/98/503168898.db2.gz NAFOBUZPWSCORH-QFIPXVFZSA-N 2 0 355.501 3.451 20 0 FGADRP C[C@H](CCc1c(F)cccc1F)[NH2+]Cc1cccnc1N1CC[NH+](C)CC1 ZINC000510750099 503185064 /nfs/dbraw/zinc/18/50/64/503185064.db2.gz LGCMVRFCFWJRLV-MRXNPFEDSA-N 2 0 374.479 3.223 20 0 FGADRP C[NH+](C)CCN(C(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1)C1CCCC1 ZINC000498449969 503186628 /nfs/dbraw/zinc/18/66/28/503186628.db2.gz BKANEERENNWPQZ-HXUWFJFHSA-N 2 0 357.542 3.231 20 0 FGADRP CC[C@H](c1ccc(F)cc1F)N1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000490651714 503209115 /nfs/dbraw/zinc/20/91/15/503209115.db2.gz TWXSUEYRRNJMEW-YSGRDPCXSA-N 2 0 351.485 3.374 20 0 FGADRP CC(C)[NH+]1CCC(C(=O)N[C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000490762091 503223956 /nfs/dbraw/zinc/22/39/56/503223956.db2.gz WWVPNSUGECKGTC-GHTZIAJQSA-N 2 0 357.542 3.134 20 0 FGADRP C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)NCC[N@H+](C)C3CC3)cc2)C1 ZINC000490863605 503237963 /nfs/dbraw/zinc/23/79/63/503237963.db2.gz UMZKEDZFRXCVRW-ROUUACIJSA-N 2 0 372.557 3.058 20 0 FGADRP CC(C)[NH+](CCCNC(=O)N[C@H](C)[C@@H](c1ccccc1)[NH+](C)C)C(C)C ZINC000498705303 503243232 /nfs/dbraw/zinc/24/32/32/503243232.db2.gz ORNLMUIWTUMJHC-QUCCMNQESA-N 2 0 362.562 3.486 20 0 FGADRP CC[C@H]([NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1)c1ccccc1F ZINC000491055176 503266071 /nfs/dbraw/zinc/26/60/71/503266071.db2.gz SNUBYRPRXTZCGJ-FQEVSTJZSA-N 2 0 371.504 3.259 20 0 FGADRP CCCC[N@H+](C)CCNC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000491050918 503266213 /nfs/dbraw/zinc/26/62/13/503266213.db2.gz IFXNUBFARVYNGT-IBGZPJMESA-N 2 0 352.567 3.016 20 0 FGADRP C[NH+](C)C1CCN(C(=O)c2cccc(C[N@H+](C)Cc3ccccc3)c2)CC1 ZINC000511170145 503273074 /nfs/dbraw/zinc/27/30/74/503273074.db2.gz DNPROUJNGFQBLN-UHFFFAOYSA-N 2 0 365.521 3.485 20 0 FGADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)NC[C@H](c2cccs2)[NH+](C)C)C1 ZINC000502823042 503281986 /nfs/dbraw/zinc/28/19/86/503281986.db2.gz DMJJUCUAONOBKA-IAGOWNOFSA-N 2 0 366.575 3.162 20 0 FGADRP CN1CCC[C@H](C[NH2+][C@@H]2CCC[C@H](S(C)(=O)=O)C2)[C@@H]1c1cccs1 ZINC000511245128 503286045 /nfs/dbraw/zinc/28/60/45/503286045.db2.gz ZIWPFZZBMCSKTC-XLMAVXFVSA-N 2 0 370.584 3.076 20 0 FGADRP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)NCc2ccc(C[NH+](C)C)cc2)C1 ZINC000502878437 503296170 /nfs/dbraw/zinc/29/61/70/503296170.db2.gz ZYFVHESIPGPNQS-RTBURBONSA-N 2 0 374.573 3.306 20 0 FGADRP COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000507431207 503298597 /nfs/dbraw/zinc/29/85/97/503298597.db2.gz VKSXDNDKMWQGRT-AWEZNQCLSA-N 2 0 367.921 3.387 20 0 FGADRP CC[N@@H+]1C[C@@H](C)N(C(=O)NC2CCC([NH+]3CCC(C)CC3)CC2)C[C@@H]1C ZINC000499028505 503317071 /nfs/dbraw/zinc/31/70/71/503317071.db2.gz OBLDBZCUKBYLAN-WBYGSUFKSA-N 2 0 364.578 3.154 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc2c(c1)oc(=O)n2C ZINC000511467182 503327163 /nfs/dbraw/zinc/32/71/63/503327163.db2.gz YBLKEOXTJLHTQY-APWZRJJASA-N 2 0 365.477 3.132 20 0 FGADRP CC1CC[NH+](C[C@H]2CCCN(C(=O)NCC3([NH+](C)C)CCCC3)C2)CC1 ZINC000503483694 503418819 /nfs/dbraw/zinc/41/88/19/503418819.db2.gz CGKFIHDOJUSVRL-LJQANCHMSA-N 2 0 364.578 3.014 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1oc2ccccc2c1C ZINC000499510449 503422215 /nfs/dbraw/zinc/42/22/15/503422215.db2.gz VPJCWPCFIARXNY-QGZVFWFLSA-N 2 0 357.498 3.229 20 0 FGADRP O[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]C/C=C\c2ccc(F)c(F)c2)CC1 ZINC000512050926 503444143 /nfs/dbraw/zinc/44/41/43/503444143.db2.gz FHVLDCVZMSHGLT-JGAFRWBPSA-N 2 0 350.453 3.336 20 0 FGADRP CC[NH+]1CCN([C@H]2CCN(Cc3csc(-c4ccccc4)n3)C2)CC1 ZINC000503619231 503447401 /nfs/dbraw/zinc/44/74/01/503447401.db2.gz XRKOARYOTITKIY-IBGZPJMESA-N 2 0 356.539 3.022 20 0 FGADRP CC(C)[C@H]1CCCC[C@@H]1NC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000503745696 503468033 /nfs/dbraw/zinc/46/80/33/503468033.db2.gz HNOQVGWGCOAXEJ-MOPGFXCFSA-N 2 0 354.583 3.116 20 0 FGADRP Cc1nn2c(C[N@@H+]3CC[C@@H](C4CC[NH+](C)CC4)C3)c(C(C)C)nc2s1 ZINC000516215264 503472577 /nfs/dbraw/zinc/47/25/77/503472577.db2.gz NVYFJIXAUWLBRZ-MRXNPFEDSA-N 2 0 361.559 3.386 20 0 FGADRP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2C[C@@H](C)CC[C@H]2c2ccccc2)CC1 ZINC000512195458 503482868 /nfs/dbraw/zinc/48/28/68/503482868.db2.gz NUGBASLNCYJXIR-RXVVDRJESA-N 2 0 357.542 3.449 20 0 FGADRP CC(C)[NH+](CCN(C)C(=O)NC[C@@H](C)[N@H+](C)Cc1ccccc1)C(C)C ZINC000503905576 503486720 /nfs/dbraw/zinc/48/67/20/503486720.db2.gz CCYNAJYRFPMCGB-LJQANCHMSA-N 2 0 362.562 3.267 20 0 FGADRP O=C(NCCC[NH+]1CCCC1)C1CC[NH+](C[C@H]2C[C@@H]2c2ccccc2)CC1 ZINC000516347730 503498742 /nfs/dbraw/zinc/49/87/42/503498742.db2.gz FIDJHJYEZUMKDN-FGZHOGPDSA-N 2 0 369.553 3.104 20 0 FGADRP CC(C)[NH+](CCN(C)C(=O)NCCCC[NH+]1CCC(C)CC1)C(C)C ZINC000503958543 503498789 /nfs/dbraw/zinc/49/87/89/503498789.db2.gz DUYJDDACYYYVMP-UHFFFAOYSA-N 2 0 354.583 3.259 20 0 FGADRP O=C(CC[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1)Nc1cccnc1 ZINC000512257835 503500877 /nfs/dbraw/zinc/50/08/77/503500877.db2.gz DHUSVQUWDXJMIG-JOCHJYFZSA-N 2 0 364.493 3.008 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)[C@H]1CCC[NH+]1C1CC1 ZINC000494247892 503512257 /nfs/dbraw/zinc/51/22/57/503512257.db2.gz NGFZWAUARMPACK-DYESRHJHSA-N 2 0 355.526 3.304 20 0 FGADRP CC1CC[NH+](Cc2ccccc2CNC(=O)[C@@H]2CCC[N@@H+]2C2CC2)CC1 ZINC000494264967 503515719 /nfs/dbraw/zinc/51/57/19/503515719.db2.gz LICXJWQAPAYZHT-NRFANRHFSA-N 2 0 355.526 3.162 20 0 FGADRP CC1CC[NH+](CCCCNC(=O)NC[C@@]2([NH+](C)C)CCC[C@H](C)C2)CC1 ZINC000516559182 503536288 /nfs/dbraw/zinc/53/62/88/503536288.db2.gz ZQIOZQKCUHGPDB-PZJWPPBQSA-N 2 0 366.594 3.308 20 0 FGADRP Fc1cc(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)ccc1OC(F)F ZINC000512431889 503549239 /nfs/dbraw/zinc/54/92/39/503549239.db2.gz BFKDVLIGGMQVAS-UHFFFAOYSA-N 2 0 372.431 3.361 20 0 FGADRP CC[C@@H](C)[NH2+][C@@H](CNC(=O)NC1CCC(C[NH+](C)C)CC1)c1ccco1 ZINC000500097412 503552787 /nfs/dbraw/zinc/55/27/87/503552787.db2.gz JKBGGSVRPRZURN-CPFNUKBASA-N 2 0 364.534 3.128 20 0 FGADRP C[N@H+](CCNC(=O)C1CC[NH+]([C@@H]2C=CCCC2)CC1)Cc1ccccc1 ZINC000494547340 503562160 /nfs/dbraw/zinc/56/21/60/503562160.db2.gz VFDAZLSKPFHRJS-OAQYLSRUSA-N 2 0 355.526 3.055 20 0 FGADRP C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)N1CCC[NH+](Cc2ccccc2)CC1 ZINC000516689229 503570058 /nfs/dbraw/zinc/57/00/58/503570058.db2.gz SBNPLMSDPSUKCB-PMACEKPBSA-N 2 0 372.557 3.024 20 0 FGADRP Cc1ccccc1[C@H]([C@H](C)NC(=O)N(CC[NH+](C)C)CC(C)C)[NH+](C)C ZINC000508852095 503577941 /nfs/dbraw/zinc/57/79/41/503577941.db2.gz ZTPQZMNZBFXAIV-ICSRJNTNSA-N 2 0 362.562 3.215 20 0 FGADRP COCc1ccccc1/C=C(/C)C[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000508875634 503585065 /nfs/dbraw/zinc/58/50/65/503585065.db2.gz BMJVTKWLJNSNJO-QYFOPDBTSA-N 2 0 371.569 3.194 20 0 FGADRP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)CC[C@@H]2CCC[NH2+]2)C1 ZINC000494686942 503591666 /nfs/dbraw/zinc/59/16/66/503591666.db2.gz PNAMOMLCUWUAAD-OPYAIIAOSA-N 2 0 357.542 3.313 20 0 FGADRP Cc1ccccc1[C@H]([C@H](C)NC(=O)N1CCC([NH2+]C(C)C)CC1)[NH+](C)C ZINC000508899262 503594072 /nfs/dbraw/zinc/59/40/72/503594072.db2.gz TZROFRJODQVEQH-PXNSSMCTSA-N 2 0 360.546 3.158 20 0 FGADRP C[NH+](C)CCCCC(=O)Nc1cc(Cl)ccc1OC1CC[NH+](C)CC1 ZINC000516851335 503599317 /nfs/dbraw/zinc/59/93/17/503599317.db2.gz YGHXRPPURUDYLO-UHFFFAOYSA-N 2 0 367.921 3.483 20 0 FGADRP C[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)[C@H]1C ZINC000512667498 503608275 /nfs/dbraw/zinc/60/82/75/503608275.db2.gz PWMRXRLTWFYKRZ-LVCYWYKZSA-N 2 0 357.542 3.427 20 0 FGADRP Fc1cc(C[NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)ccc1Oc1cccnc1 ZINC000516921233 503619464 /nfs/dbraw/zinc/61/94/64/503619464.db2.gz ULUBKSPNHOIVNI-MISYRCLQSA-N 2 0 371.456 3.260 20 0 FGADRP C[NH+](C)[C@@H](CNC(=O)N1CCC[C@H]1C[NH+]1CCCCC1)c1ccsc1 ZINC000517148842 503656584 /nfs/dbraw/zinc/65/65/84/503656584.db2.gz JSXLPOKHDCECNO-ROUUACIJSA-N 2 0 364.559 3.011 20 0 FGADRP CC[C@@H](C)[N@H+](C)CCNC(=O)N1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC000517151658 503657620 /nfs/dbraw/zinc/65/76/20/503657620.db2.gz LGMUYNRQKIZMRI-GOSISDBHSA-N 2 0 360.546 3.023 20 0 FGADRP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](Cc3cccc4c3OC(C)(C)C4)C2)CC1 ZINC000536666019 503669711 /nfs/dbraw/zinc/66/97/11/503669711.db2.gz ARCWIABADLZYOU-HXUWFJFHSA-N 2 0 357.542 3.000 20 0 FGADRP O=C(NC[C@H]1CC[N@@H+]1C1CCCCC1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000529721100 503680683 /nfs/dbraw/zinc/68/06/83/503680683.db2.gz YFSNWZJHPBPJPO-OAQYLSRUSA-N 2 0 355.526 3.419 20 0 FGADRP COc1ccccc1[C@H](CO)[NH2+][C@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000540181885 503699787 /nfs/dbraw/zinc/69/97/87/503699787.db2.gz HUGSFXSENBBBIS-UZLBHIALSA-N 2 0 358.482 3.020 20 0 FGADRP CC(C)[C@@H]1CN(C(=O)C2CC[NH+](C(C)C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000529801052 503704436 /nfs/dbraw/zinc/70/44/36/503704436.db2.gz MAMQTNAJSXJIHP-QFIPXVFZSA-N 2 0 371.569 3.476 20 0 FGADRP CC(C)[N@@H+]1CC[C@H](CNC(=O)N2CCC(CCC[NH+]3CCCC3)CC2)C1 ZINC000533104250 503732134 /nfs/dbraw/zinc/73/21/34/503732134.db2.gz GCUKJICGYDMCFJ-HXUWFJFHSA-N 2 0 364.578 3.014 20 0 FGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@H](c2ccc(F)cc2)c2cccnc2)CC1 ZINC000543403218 503756502 /nfs/dbraw/zinc/75/65/02/503756502.db2.gz QVIQQZSVSZSQIP-PGRDOPGGSA-N 2 0 370.516 3.173 20 0 FGADRP CC1CC[NH+]([C@H](CNC(=O)NCCC[NH+]2CCCC2)c2ccccc2)CC1 ZINC000517512884 503760931 /nfs/dbraw/zinc/76/09/31/503760931.db2.gz DQCALXUQARXXKG-OAQYLSRUSA-N 2 0 372.557 3.245 20 0 FGADRP C[C@H](CC[N@@H+]1CC[C@H](C(C)(C)C)[C@H](O)C1)[NH+]1CC[C@@H](C(C)(C)C)[C@@H](O)C1 ZINC000543478265 503788380 /nfs/dbraw/zinc/78/83/80/503788380.db2.gz OMIJRRHNRVCPSG-IVDHNXQLSA-N 2 0 368.606 3.223 20 0 FGADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2cnc(-c3ccccc3)nc2)C1 ZINC000533309699 503801673 /nfs/dbraw/zinc/80/16/73/503801673.db2.gz LXXFYBLXFHSASE-HXUWFJFHSA-N 2 0 354.498 3.076 20 0 FGADRP CCC[C@H]([NH2+]Cc1ccc(N2CC[NH+](CC)CC2)nc1)c1cccnc1 ZINC000543603465 503825952 /nfs/dbraw/zinc/82/59/52/503825952.db2.gz VIFCDWQJTDIMSM-FQEVSTJZSA-N 2 0 353.514 3.250 20 0 FGADRP CC[NH+]1CCC([NH2+]Cc2c[nH]nc2-c2ccc(Br)s2)CC1 ZINC000527633296 503867796 /nfs/dbraw/zinc/86/77/96/503867796.db2.gz XTOXLFOKLQNIKU-UHFFFAOYSA-N 2 0 369.332 3.475 20 0 FGADRP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(I)cc2)[C@H](C)C1 ZINC000533532610 503877817 /nfs/dbraw/zinc/87/78/17/503877817.db2.gz OLOLUMAXBQMGBN-CZUORRHYSA-N 2 0 372.294 3.453 20 0 FGADRP [NH3+]C[C@H](Cc1ccccc1)[C@H]1CCCC[N@@H+]1Cc1cc(CO)ccc1F ZINC000530217870 503880926 /nfs/dbraw/zinc/88/09/26/503880926.db2.gz IOTHOGUHAKHVOE-SIKLNZKXSA-N 2 0 356.485 3.490 20 0 FGADRP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2CCCOc1ccc(Cl)cc1 ZINC000533539585 503881479 /nfs/dbraw/zinc/88/14/79/503881479.db2.gz INLQUBAOVUUBLJ-NZSAHSFTSA-N 2 0 352.906 3.292 20 0 FGADRP COCCC[NH+]1CCC([NH2+]CC2(O)CCC(c3ccccc3)CC2)CC1 ZINC000530231696 503884972 /nfs/dbraw/zinc/88/49/72/503884972.db2.gz SSXIVYBQUCYGRE-UHFFFAOYSA-N 2 0 360.542 3.166 20 0 FGADRP O=C1c2ccccc2C(=O)N1[C@H]1CCCC[C@H]([NH2+]CCC[NH+]2CCCC2)C1 ZINC000533548879 503885370 /nfs/dbraw/zinc/88/53/70/503885370.db2.gz ASUKOLNPHRSTDS-ROUUACIJSA-N 2 0 369.509 3.059 20 0 FGADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)N[C@H]2CC[NH+](C3CCCC3)C2)C1 ZINC000518023366 503892072 /nfs/dbraw/zinc/89/20/72/503892072.db2.gz NXLKMHWKHFNJRP-HOJAQTOUSA-N 2 0 370.541 3.138 20 0 FGADRP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)NC(C)(C)C[NH+](C)Cc2ccccc2)C1 ZINC000533622378 503903292 /nfs/dbraw/zinc/90/32/92/503903292.db2.gz SZGUKLRBMRYZHG-FQEVSTJZSA-N 2 0 374.573 3.174 20 0 FGADRP C[C@@H]1CCC[C@@](CNC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)([NH+](C)C)C1 ZINC000518366662 503964717 /nfs/dbraw/zinc/96/47/17/503964717.db2.gz FOHIWEXRLSJLFS-SYYKKAFVSA-N 2 0 372.557 3.071 20 0 FGADRP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000518598010 504025096 /nfs/dbraw/zinc/02/50/96/504025096.db2.gz ZPMMMXIXWBOOKV-SBHAEUEKSA-N 2 0 357.542 3.278 20 0 FGADRP CC(C)[NH+](CCNCc1c(Cl)cccc1N1CC[NH+](C)CC1)C(C)C ZINC000537748831 504026153 /nfs/dbraw/zinc/02/61/53/504026153.db2.gz JDDPIXKTQDHMTK-UHFFFAOYSA-N 2 0 366.981 3.300 20 0 FGADRP CC[NH+](CC)CCCC1CCN(C(=O)NCC[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000541160019 504026770 /nfs/dbraw/zinc/02/67/70/504026770.db2.gz OKHSYTGYYZKDAE-LJQANCHMSA-N 2 0 366.594 3.262 20 0 FGADRP CC[N@H+](CCNC(=O)N[C@@H]1CCN(C)[C@H]1c1ccc(Cl)cc1)C(C)C ZINC000534055214 504027621 /nfs/dbraw/zinc/02/76/21/504027621.db2.gz HWQDGNZBWKIYIW-MSOLQXFVSA-N 2 0 366.937 3.115 20 0 FGADRP O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)[C@H]1CCCN1Cc1ccc(Cl)cc1 ZINC000527986027 504027933 /nfs/dbraw/zinc/02/79/33/504027933.db2.gz OXHUAKDYIGNTKF-GUDVDZBRSA-N 2 0 361.917 3.047 20 0 FGADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)NCCCC[NH+]1CCC(C)CC1 ZINC000518709188 504045788 /nfs/dbraw/zinc/04/57/88/504045788.db2.gz LDMNNTKWPWVGMS-HXUWFJFHSA-N 2 0 366.594 3.452 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)[C@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000518753219 504054918 /nfs/dbraw/zinc/05/49/18/504054918.db2.gz RGQPCUFTIVTNAD-VWPQPMDRSA-N 2 0 371.569 3.383 20 0 FGADRP C[NH+](C)CCOc1cccc(C[NH2+][C@@H]2CCC(=O)Nc3ccccc32)c1 ZINC000544362739 504103835 /nfs/dbraw/zinc/10/38/35/504103835.db2.gz IBAQUYNMZBIWEU-LJQANCHMSA-N 2 0 353.466 3.190 20 0 FGADRP C[C@@H]1C[C@@H](CC[NH2+]Cc2c(Cl)cccc2N2CC[NH+](C)CC2)CCO1 ZINC000541369668 504105743 /nfs/dbraw/zinc/10/57/43/504105743.db2.gz NIVVMXHTYBDUID-SJORKVTESA-N 2 0 365.949 3.387 20 0 FGADRP COC(=O)c1cc2c(o1)c(OC)ccc2C[NH2+]CCC1CC[NH+](C)CC1 ZINC000530904485 504124447 /nfs/dbraw/zinc/12/44/47/504124447.db2.gz QMEUSXWLZUZBDO-UHFFFAOYSA-N 2 0 360.454 3.050 20 0 FGADRP COC(=O)c1cc2c(o1)c(OC)ccc2C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000530904167 504125184 /nfs/dbraw/zinc/12/51/84/504125184.db2.gz DBECHXFEKHLSIO-UHFFFAOYSA-N 2 0 372.465 3.192 20 0 FGADRP C[C@@H]1C[N@@H+](CCC2CC[NH+](Cc3ccccc3N(C)C)CC2)C[C@H](C)O1 ZINC000530939828 504136393 /nfs/dbraw/zinc/13/63/93/504136393.db2.gz MQZXBVQPMWNJEZ-KDURUIRLSA-N 2 0 359.558 3.464 20 0 FGADRP CN1CC[NH+](CCCC[NH2+][C@@H]2CCCOc3cc(Cl)ccc32)CC1 ZINC000538204480 504161473 /nfs/dbraw/zinc/16/14/73/504161473.db2.gz GSQOINZEMQJNRM-GOSISDBHSA-N 2 0 351.922 3.171 20 0 FGADRP C[C@H](NC(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)C)C(C)(C)C[NH+](C)C ZINC000531013145 504162674 /nfs/dbraw/zinc/16/26/74/504162674.db2.gz VTCHGAUKIZNKRD-WMLDXEAASA-N 2 0 368.953 3.218 20 0 FGADRP CC(C)C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)NCC1CC[NH+](C)CC1 ZINC000528340775 504177268 /nfs/dbraw/zinc/17/72/68/504177268.db2.gz TYZYEOAXIOCMBP-FGZHOGPDSA-N 2 0 371.569 3.239 20 0 FGADRP C[C@H](C(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000531079972 504182469 /nfs/dbraw/zinc/18/24/69/504182469.db2.gz BNHDXLIFQREOPC-FSZRXZPDSA-N 2 0 351.922 3.320 20 0 FGADRP OCCN1CC[NH+](CCCC[NH2+][C@@H](c2ccccc2)C2CCCCC2)CC1 ZINC000538289428 504190220 /nfs/dbraw/zinc/19/02/20/504190220.db2.gz AYSQPUSOBSVFSA-QHCPKHFHSA-N 2 0 373.585 3.288 20 0 FGADRP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000544623762 504195189 /nfs/dbraw/zinc/19/51/89/504195189.db2.gz DYPLJDDMTQAJQH-KRWDZBQOSA-N 2 0 352.567 3.013 20 0 FGADRP c1ccc([C@@H]([NH2+]CC2CCN(c3cc[nH+]cc3)CC2)c2cncnc2)cc1 ZINC000541735014 504237618 /nfs/dbraw/zinc/23/76/18/504237618.db2.gz QVEVFPZZOJXSFP-JOCHJYFZSA-N 2 0 359.477 3.467 20 0 FGADRP CCC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N1CCC([NH+](C)C)CC1 ZINC000528485111 504242657 /nfs/dbraw/zinc/24/26/57/504242657.db2.gz AADXXFNXDOWQKR-TZIWHRDSSA-N 2 0 357.542 3.087 20 0 FGADRP C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)[C@H]2CCCC[NH+]2Cc2ccccc2)C1 ZINC000531296646 504256069 /nfs/dbraw/zinc/25/60/69/504256069.db2.gz YKWJXTSAODOLPJ-FGZHOGPDSA-N 2 0 369.553 3.231 20 0 FGADRP C[C@H]([NH2+][C@@H](CO)Cc1ccc(F)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000519568263 504256424 /nfs/dbraw/zinc/25/64/24/504256424.db2.gz QMCHHHZWRMPVEG-RBDMOPTHSA-N 2 0 356.485 3.229 20 0 FGADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)N(C)[C@H](C)C1CC[NH+](C)CC1 ZINC000541816481 504263367 /nfs/dbraw/zinc/26/33/67/504263367.db2.gz FQBVIOZYGHDKEZ-IEBWSBKVSA-N 2 0 352.567 3.013 20 0 FGADRP C[C@@H]1C[C@@H](N(C)C(=O)NC[C@@H](c2ccc(Cl)cc2)[NH+](C)C)CC[N@@H+]1C ZINC000531318512 504264928 /nfs/dbraw/zinc/26/49/28/504264928.db2.gz TZBKLOUWIAXIIW-JLSDUUJJSA-N 2 0 366.937 3.067 20 0 FGADRP C[NH+]1CCC(O)(C[NH2+][C@H](Cc2cccnc2)c2ccc(Cl)cc2)CC1 ZINC000544825651 504271486 /nfs/dbraw/zinc/27/14/86/504271486.db2.gz LOIHHCZNCVEVOR-LJQANCHMSA-N 2 0 359.901 3.065 20 0 FGADRP CCC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N1CCC(C[NH+](C)C)CC1 ZINC000528560918 504273032 /nfs/dbraw/zinc/27/30/32/504273032.db2.gz PCTSRHUSEVMYGH-FGZHOGPDSA-N 2 0 371.569 3.335 20 0 FGADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2ccccc2Br)C1 ZINC000531343423 504273365 /nfs/dbraw/zinc/27/33/65/504273365.db2.gz MTXQTORMFBQUMU-MRXNPFEDSA-N 2 0 355.320 3.382 20 0 FGADRP CCC[NH+]1CCN(C(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)CC1 ZINC000531385310 504288173 /nfs/dbraw/zinc/28/81/73/504288173.db2.gz JWRIEIPUVKLLQO-UHFFFAOYSA-N 2 0 358.530 3.275 20 0 FGADRP C[C@@H]1C[C@H](N(C)C(=O)[C@H]2CCCN2Cc2ccc(Cl)cc2)CC[N@@H+]1C ZINC000528650615 504314413 /nfs/dbraw/zinc/31/44/13/504314413.db2.gz PEUUPIWZFXDISN-ATZDWAIDSA-N 2 0 363.933 3.246 20 0 FGADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2c[nH]nc2-c2ccc(OC)cc2)C1 ZINC000538749764 504356485 /nfs/dbraw/zinc/35/64/85/504356485.db2.gz FCWZAUUOKCEISX-FQEVSTJZSA-N 2 0 372.513 3.018 20 0 FGADRP C[C@H]1c2ccccc2CN1C(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1 ZINC000542115880 504368248 /nfs/dbraw/zinc/36/82/48/504368248.db2.gz NGXDKYMTUGEZRY-SFHVURJKSA-N 2 0 370.541 3.223 20 0 FGADRP CC[NH+]1CCN(CCC[NH2+][C@H](C)c2sccc2Br)CC1 ZINC000531686510 504391982 /nfs/dbraw/zinc/39/19/82/504391982.db2.gz MTPHYKDLPMAQGX-CYBMUJFWSA-N 2 0 360.365 3.189 20 0 FGADRP C[C@H]1CCCC[N@@H+]1CCNCc1c(Cl)cccc1N1CC[NH+](C)CC1 ZINC000538850188 504393074 /nfs/dbraw/zinc/39/30/74/504393074.db2.gz RJGCQLRDMDLWSM-KRWDZBQOSA-N 2 0 364.965 3.056 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H](CO)Cc1ccc(F)cc1 ZINC000531696881 504396271 /nfs/dbraw/zinc/39/62/71/504396271.db2.gz AAMMSBHBZVAJJB-JMUQELJHSA-N 2 0 370.512 3.477 20 0 FGADRP C[C@H](CCN1C(=O)c2ccccc2C1=O)[NH2+]CCCCC[NH+]1CCCCC1 ZINC000545246073 504413529 /nfs/dbraw/zinc/41/35/29/504413529.db2.gz BXSCIQKJOZKAON-GOSISDBHSA-N 2 0 371.525 3.307 20 0 FGADRP CC[NH+]1CCC(CNC(=O)N2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)CC1 ZINC000520272329 504451557 /nfs/dbraw/zinc/45/15/57/504451557.db2.gz YLXYLTZBVPBDMT-ICSRJNTNSA-N 2 0 364.578 3.014 20 0 FGADRP Cc1ccc(NC(=O)NC[C@@H]2CC[N@@H+]2C2CCCC2)c(OCC[NH+](C)C)c1 ZINC000528989065 504484873 /nfs/dbraw/zinc/48/48/73/504484873.db2.gz NWWUPDJESLYUKN-SFHVURJKSA-N 2 0 374.529 3.074 20 0 FGADRP C[C@H](CCNC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCCCC1 ZINC000542450685 504494028 /nfs/dbraw/zinc/49/40/28/504494028.db2.gz IEWXRZYOQVAHIX-CTNGQTDRSA-N 2 0 372.557 3.167 20 0 FGADRP CC(C)[C@@H](C)NC(=O)C[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000535679960 504505741 /nfs/dbraw/zinc/50/57/41/504505741.db2.gz LKNPRRCUXHCAML-LJQANCHMSA-N 2 0 357.542 3.135 20 0 FGADRP CCOc1ccc([C@H](C)NC(=O)CCC[NH2+]C2CC[NH+](CC)CC2)cc1 ZINC000539295150 504522113 /nfs/dbraw/zinc/52/21/13/504522113.db2.gz KRWQNBAEYHYMCH-KRWDZBQOSA-N 2 0 361.530 3.117 20 0 FGADRP CC[C@H]([NH2+]C1CC[NH+](CC2CC2)CC1)[C@@H](c1ccc(C)cc1)n1cncn1 ZINC000539298256 504523514 /nfs/dbraw/zinc/52/35/14/504523514.db2.gz YZGPGHHWDCRFFU-FCHUYYIVSA-N 2 0 367.541 3.419 20 0 FGADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)NCc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000520577841 504532943 /nfs/dbraw/zinc/53/29/43/504532943.db2.gz DGIGSUVQOGEJMY-IAGOWNOFSA-N 2 0 360.546 3.376 20 0 FGADRP COc1ccc(CN2CC[C@@H]2CNC(=O)Nc2c(C)ccnc2C)cc1 ZINC000529095636 504533439 /nfs/dbraw/zinc/53/34/39/504533439.db2.gz VUBPGMYURWCJHG-QGZVFWFLSA-N 2 0 354.454 3.103 20 0 FGADRP CN1CC[NH+](CC2(C)CC[NH+](CCc3c(F)cccc3Cl)CC2)CC1 ZINC000542593834 504548394 /nfs/dbraw/zinc/54/83/94/504548394.db2.gz RYXNZWMUONAMGN-UHFFFAOYSA-N 2 0 367.940 3.371 20 0 FGADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2cn(C)nc2-c2cccs2)C1 ZINC000539408027 504562321 /nfs/dbraw/zinc/56/23/21/504562321.db2.gz RPFQJSPGMZMWBI-KRWDZBQOSA-N 2 0 362.543 3.081 20 0 FGADRP C[NH+]1CCN(C[C@@H]([NH2+][C@@H]2CCc3cc(F)ccc32)c2ccccc2)CC1 ZINC000532221178 504578233 /nfs/dbraw/zinc/57/82/33/504578233.db2.gz XPLKCCXKOBAEKO-FGZHOGPDSA-N 2 0 353.485 3.391 20 0 FGADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)c2ccccc2CC[NH3+])cc1 ZINC000520830575 504591441 /nfs/dbraw/zinc/59/14/41/504591441.db2.gz OBRFGYIRVPJYLJ-SFHVURJKSA-N 2 0 365.521 3.492 20 0 FGADRP Cc1ccc([C@@H](CNC(=O)CCN(C)c2cc[nH+]cc2)[NH+]2CCCC2)cc1 ZINC000542787215 504610444 /nfs/dbraw/zinc/61/04/44/504610444.db2.gz LESCHLWAINVWDJ-OAQYLSRUSA-N 2 0 366.509 3.170 20 0 FGADRP CCO[C@@H]1C[C@H]([NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H]2CO)C12CCCC2 ZINC000542849805 504633052 /nfs/dbraw/zinc/63/30/52/504633052.db2.gz SFHCEMNKNSZSEF-BHIFYINESA-N 2 0 372.553 3.471 20 0 FGADRP Cc1cc([C@H](C)[NH2+][C@@H](Cc2ccccc2)C(=O)NCC[NH+](C)C)c(C)s1 ZINC000539688615 504653969 /nfs/dbraw/zinc/65/39/69/504653969.db2.gz IKTKXDPHAZLJKN-JXFKEZNVSA-N 2 0 373.566 3.305 20 0 FGADRP C[C@@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]CCN1CCC[C@H](C)C1 ZINC000532458343 504658944 /nfs/dbraw/zinc/65/89/44/504658944.db2.gz JTLDIPIQZHQCGG-IRXDYDNUSA-N 2 0 365.949 3.399 20 0 FGADRP CC[NH+](CC)CCOC1CC[NH+](Cc2cccc(OC)c2OC)CC1 ZINC000539823678 504704634 /nfs/dbraw/zinc/70/46/34/504704634.db2.gz JNDIABXODQOPJR-UHFFFAOYSA-N 2 0 350.503 3.027 20 0 FGADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2ccc(OC(F)F)c(F)c2)C1 ZINC000539849266 504717337 /nfs/dbraw/zinc/71/73/37/504717337.db2.gz QMYCNIUJNIVJNE-OAHLLOKOSA-N 2 0 360.420 3.360 20 0 FGADRP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]CCCNc2ccccn2)CC1 ZINC000536413135 504727020 /nfs/dbraw/zinc/72/70/20/504727020.db2.gz ONKXCORIHOTEIU-UHFFFAOYSA-N 2 0 373.932 3.079 20 0 FGADRP COc1ccc([C@H](C[NH+]2CCCC2)NC(=O)[C@H](C)[NH+]2CCCCCC2)cc1 ZINC000539932586 504741874 /nfs/dbraw/zinc/74/18/74/504741874.db2.gz SVADYIDNWZTRTA-RXVVDRJESA-N 2 0 373.541 3.213 20 0 FGADRP C[C@H](C[C@@H]1CCCO1)[NH2+]Cc1c(Cl)cccc1N1CC[NH+](C)CC1 ZINC000539949751 504746590 /nfs/dbraw/zinc/74/65/90/504746590.db2.gz FOONXULFNFWOET-CVEARBPZSA-N 2 0 351.922 3.139 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)N1CCC[C@H]1C[NH+]1CCCCC1)CC(C)C ZINC000521522322 504752548 /nfs/dbraw/zinc/75/25/48/504752548.db2.gz XZGVGXFNVZQILB-VQTJNVASSA-N 2 0 366.594 3.403 20 0 FGADRP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000521587616 504760535 /nfs/dbraw/zinc/76/05/35/504760535.db2.gz JDWDPFKXLDLLLT-ZCNNSNEGSA-N 2 0 371.569 3.381 20 0 FGADRP CCC[NH+]1CCN(c2ccccc2C[NH2+]CC(C)(C)[C@@H](O)C(C)C)CC1 ZINC000532828701 504764845 /nfs/dbraw/zinc/76/48/45/504764845.db2.gz LUZWBQWZLKTUEQ-NRFANRHFSA-N 2 0 361.574 3.351 20 0 FGADRP CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000565037415 504777474 /nfs/dbraw/zinc/77/74/74/504777474.db2.gz RMZXPQKPGYPKAH-NRSPTQNISA-N 2 0 370.541 3.067 20 0 FGADRP Cc1ccccc1[C@@H](CN1CCOCC1)[NH2+]CCCCC[NH+]1CCCC1 ZINC000556233529 504824032 /nfs/dbraw/zinc/82/40/32/504824032.db2.gz QIUQEPQEHZKDGY-JOCHJYFZSA-N 2 0 359.558 3.224 20 0 FGADRP C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000553169931 504842721 /nfs/dbraw/zinc/84/27/21/504842721.db2.gz IPCRZVVUHGMTHP-NRSPTQNISA-N 2 0 355.526 3.126 20 0 FGADRP C[C@H]1CC[N@H+](CC(=O)NCc2ccccc2C[NH+](C)C2CCCCC2)C1 ZINC000553368386 504896246 /nfs/dbraw/zinc/89/62/46/504896246.db2.gz FIIOFQAWRVSCKR-SFHVURJKSA-N 2 0 357.542 3.409 20 0 FGADRP CC1CC[NH+](C[C@@H]2CCCN(C(=O)c3ccc(CC[NH+](C)C)cc3)C2)CC1 ZINC000553405695 504906404 /nfs/dbraw/zinc/90/64/04/504906404.db2.gz XNQUJTAXDYNHIC-NRFANRHFSA-N 2 0 371.569 3.375 20 0 FGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H]2C[C@H](Oc3ccccc3)C2(C)C)CC1 ZINC000556585618 504911202 /nfs/dbraw/zinc/91/12/02/504911202.db2.gz NFFAVQPEJSZKTI-GIVPXCGWSA-N 2 0 359.558 3.096 20 0 FGADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)NC[C@@H](c1ccc(OC(C)C)cc1)[NH+](C)C ZINC000565559714 504922352 /nfs/dbraw/zinc/92/23/52/504922352.db2.gz RRIJSDSNQPVBDI-LPHOPBHVSA-N 2 0 363.546 3.359 20 0 FGADRP C[C@H]1CN(C(=O)[C@@H]2CCC[NH+](Cc3ccccc3)C2)CC[N@@H+](C2CCC2)C1 ZINC000553525481 504940197 /nfs/dbraw/zinc/94/01/97/504940197.db2.gz BGTOQGNRGHJXFN-TZIWHRDSSA-N 2 0 369.553 3.231 20 0 FGADRP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)Nc2ccc3c(c2)C[NH2+]CCO3)C1 ZINC000562772515 504940318 /nfs/dbraw/zinc/94/03/18/504940318.db2.gz DVMYIQUHPYTKGI-HZPDHXFCSA-N 2 0 374.529 3.047 20 0 FGADRP CN(CC(C)(C)C[NH3+])C(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000562795656 504948505 /nfs/dbraw/zinc/94/85/05/504948505.db2.gz PVNVMFLHAHSFLA-QGZVFWFLSA-N 2 0 366.937 3.103 20 0 FGADRP CC[NH+](CC)C[C@H](C)NC(=O)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000553598622 504959257 /nfs/dbraw/zinc/95/92/57/504959257.db2.gz DJLXCFPXYAQVMF-UGKGYDQZSA-N 2 0 372.557 3.024 20 0 FGADRP COc1ccc(Cl)cc1NC(=O)CC[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000562837893 504960252 /nfs/dbraw/zinc/96/02/52/504960252.db2.gz VCSNEAKBEBEAHY-MRXNPFEDSA-N 2 0 365.905 3.141 20 0 FGADRP NC(=O)[C@H]1CC[C@H](C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000562939784 504994829 /nfs/dbraw/zinc/99/48/29/504994829.db2.gz WFNMNRHTTPEQFK-GLOJMNGXSA-N 2 0 369.553 3.168 20 0 FGADRP C[NH+](C)CCCOc1cnccc1C[NH2+]Cc1c[nH]nc1-c1ccsc1 ZINC000565853197 505006915 /nfs/dbraw/zinc/00/69/15/505006915.db2.gz BBQDTDVBFTVWQS-UHFFFAOYSA-N 2 0 371.510 3.154 20 0 FGADRP C[C@@H]1C[C@H]([NH2+]CCC[N@@H+]2CCC[C@@H](C(N)=O)C2)C[C@@H](c2ccccc2)C1 ZINC000553780958 505007195 /nfs/dbraw/zinc/00/71/95/505007195.db2.gz DEOCVHBCQVMAAU-NRDMVMEKSA-N 2 0 357.542 3.136 20 0 FGADRP CC[NH+](CC)[C@@H](C(=O)N[C@@H](C)C[NH+](C)C)c1cccc(C(F)(F)F)c1 ZINC000553790684 505012436 /nfs/dbraw/zinc/01/24/36/505012436.db2.gz CYSTYVYTOHRJOP-XJKSGUPXSA-N 2 0 359.436 3.155 20 0 FGADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)N(C)CCC[NH+](C)Cc1ccco1 ZINC000553892954 505035372 /nfs/dbraw/zinc/03/53/72/505035372.db2.gz IHZYQKXVQPSLHX-SFHVURJKSA-N 2 0 364.534 3.007 20 0 FGADRP COc1ccc(OCc2nc(C[N@H+]3CC[C@H]4C[NH2+]C[C@H]4CC3)cs2)cc1 ZINC000563135984 505058510 /nfs/dbraw/zinc/05/85/10/505058510.db2.gz XHLPETQOERYRQX-IYBDPMFKSA-N 2 0 373.522 3.162 20 0 FGADRP COC[C@H]([NH2+]CCCN1CC[N@H+](C)C[C@H]1c1ccccc1)c1ccccc1 ZINC000554050849 505076162 /nfs/dbraw/zinc/07/61/62/505076162.db2.gz VUHFSFATBDERJL-GOTSBHOMSA-N 2 0 367.537 3.343 20 0 FGADRP Cc1ccc(NC(=O)C2(C[NH2+][C@@H]3CCOC[C@@H]3[C@@H](C)[NH3+])CCCC2)cc1C ZINC000566089338 505077570 /nfs/dbraw/zinc/07/75/70/505077570.db2.gz ZVSORZSDUHPHBP-MISYRCLQSA-N 2 0 373.541 3.144 20 0 FGADRP Cc1cc(C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)c2nccc(C)c2c1 ZINC000550683038 505084324 /nfs/dbraw/zinc/08/43/24/505084324.db2.gz MGGLVVGQEGWLRX-UHFFFAOYSA-N 2 0 370.541 3.197 20 0 FGADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+]C[C@@H](CO)Cc2ccco2)CC1 ZINC000560514927 505110386 /nfs/dbraw/zinc/11/03/86/505110386.db2.gz KFGPILPDKAWZOU-MWXLCCTBSA-N 2 0 356.510 3.463 20 0 FGADRP C[C@H]1CC2(CN1C(=O)[C@H]1CCC[N@H+](Cc3cccc(F)c3)C1)CC[NH2+]CC2 ZINC000566209644 505113091 /nfs/dbraw/zinc/11/30/91/505113091.db2.gz UUBSEIWAEICJRN-HKUYNNGSSA-N 2 0 373.516 3.028 20 0 FGADRP COCCN(C)C[C@@H](O)C[NH2+][C@H](C)c1ccc(Cl)c2ccccc21 ZINC000563352334 505117464 /nfs/dbraw/zinc/11/74/64/505117464.db2.gz CBPZEKFOZXLEOC-CABCVRRESA-N 2 0 350.890 3.083 20 0 FGADRP C[C@H](NC(=O)[C@H](C)[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)c1ccc(Cl)cc1 ZINC000566245799 505122360 /nfs/dbraw/zinc/12/23/60/505122360.db2.gz SYWHPNPFUXIMCW-CWLKWCNXSA-N 2 0 363.933 3.227 20 0 FGADRP C[C@H](NC(=O)[C@H](C)[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1)c1ccc(Cl)cc1 ZINC000566245800 505122694 /nfs/dbraw/zinc/12/26/94/505122694.db2.gz SYWHPNPFUXIMCW-LAQRGFTBSA-N 2 0 363.933 3.227 20 0 FGADRP C[C@H](c1ccc(Cl)cc1)N(C)C(=O)C[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000566245357 505123058 /nfs/dbraw/zinc/12/30/58/505123058.db2.gz OEWBROHIMHHFCK-NXHRZFHOSA-N 2 0 363.933 3.181 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)c2ccn(CC[NH+](C)C)n2)cc1 ZINC000563375891 505125638 /nfs/dbraw/zinc/12/56/38/505125638.db2.gz GSTJOOLSMYAUBL-QGZVFWFLSA-N 2 0 369.513 3.071 20 0 FGADRP C[C@@H]([NH2+]Cc1ccc(C[S@](C)=O)cc1)c1cccc(OCC[NH+](C)C)c1 ZINC000560556402 505125656 /nfs/dbraw/zinc/12/56/56/505125656.db2.gz BNBFIIOKPCBXMM-QUGAMOGWSA-N 2 0 374.550 3.356 20 0 FGADRP Cc1ccccc1[C@H]([C@@H](C)NC(=O)NCC1([NH+](C)C)CCCC1)[NH+](C)C ZINC000554255261 505126925 /nfs/dbraw/zinc/12/69/25/505126925.db2.gz RBDXTFXTVIMHHL-MJGOQNOKSA-N 2 0 360.546 3.160 20 0 FGADRP CCCC[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1C[NH+](C(C)(C)C)C[C@H]1C(F)(F)F ZINC000560799158 505187966 /nfs/dbraw/zinc/18/79/66/505187966.db2.gz BWMZEGYMOXWHBJ-RBSFLKMASA-N 2 0 365.484 3.132 20 0 FGADRP Cc1ccc(OC[C@H](O)C[NH2+]CC2CC[NH+](Cc3cccs3)CC2)cc1 ZINC000566555963 505204890 /nfs/dbraw/zinc/20/48/90/505204890.db2.gz CDHNUCBMBCJNMQ-LJQANCHMSA-N 2 0 374.550 3.298 20 0 FGADRP O[C@@H]1CCC[C@@H]1[NH+]1CCC([NH2+][C@H](C[C@@H]2CCOC2)c2ccccc2)CC1 ZINC000560917116 505211018 /nfs/dbraw/zinc/21/10/18/505211018.db2.gz FDBUTPWMBHPYDC-KVJIRVJXSA-N 2 0 358.526 3.122 20 0 FGADRP C[C@@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000560943331 505214524 /nfs/dbraw/zinc/21/45/24/505214524.db2.gz XOMVOZNNBOKUOI-KBPBESRZSA-N 2 0 357.420 3.402 20 0 FGADRP C[NH+](C)[C@H]1CCC[C@H]([NH2+]Cc2cccc(I)c2)C1 ZINC000551592510 505263325 /nfs/dbraw/zinc/26/33/25/505263325.db2.gz QMUYLZOMIHVISV-GJZGRUSLSA-N 2 0 358.267 3.254 20 0 FGADRP [NH3+]CCc1ccccc1C(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000566804137 505277189 /nfs/dbraw/zinc/27/71/89/505277189.db2.gz MJQNURNFVOPZKR-UHFFFAOYSA-N 2 0 365.521 3.494 20 0 FGADRP O=C(C[NH2+][C@H](c1ccccc1F)C1CCCC1)NC1CC[NH+](C2CC2)CC1 ZINC000561198961 505278673 /nfs/dbraw/zinc/27/86/73/505278673.db2.gz DJQWJMVPHPNPME-QFIPXVFZSA-N 2 0 373.516 3.390 20 0 FGADRP C[C@H]([NH2+]CCC(=O)NC1CCCCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000554856264 505282918 /nfs/dbraw/zinc/28/29/18/505282918.db2.gz NOQJUQQNNYJOPJ-AZUAARDMSA-N 2 0 357.542 3.326 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1ccc(OC(F)F)cc1 ZINC000554882254 505289268 /nfs/dbraw/zinc/28/92/68/505289268.db2.gz JPASUJUBYWCBPS-KRWDZBQOSA-N 2 0 355.473 3.136 20 0 FGADRP COc1ccc([C@H](CN(C)C)[NH2+][C@@H]2CN(Cc3ccccc3)C[C@@H]2C)cc1 ZINC000551805564 505313108 /nfs/dbraw/zinc/31/31/08/505313108.db2.gz VFELRUHEKLPCLV-NMNUPHIUSA-N 2 0 367.537 3.408 20 0 FGADRP CC(C)Cc1ccc([C@H](C[NH2+][C@H](C)C(C)(C)n2cncn2)N(C)C)cc1 ZINC000555002705 505325769 /nfs/dbraw/zinc/32/57/69/505325769.db2.gz FTZSEKRAOSUPTI-XLIONFOSSA-N 2 0 357.546 3.493 20 0 FGADRP C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000561449846 505349245 /nfs/dbraw/zinc/34/92/45/505349245.db2.gz LDYHRHKLYWFYRR-NRSPTQNISA-N 2 0 370.541 3.092 20 0 FGADRP Cc1ccc([C@H](CNC(=O)Nc2ccc3c(c2F)CC[NH2+]C3)[NH+](C)C)cc1 ZINC000567095032 505362656 /nfs/dbraw/zinc/36/26/56/505362656.db2.gz NMZFZRVBHPWXIH-IBGZPJMESA-N 2 0 370.472 3.204 20 0 FGADRP CC[C@H](C)[NH2+][C@@H](CNC(=O)NCc1ccc(C[NH+](C)C)cc1)c1ccco1 ZINC000558376993 505370677 /nfs/dbraw/zinc/37/06/77/505370677.db2.gz HADYWYSWFOILLD-LPHOPBHVSA-N 2 0 372.513 3.270 20 0 FGADRP CCCN(CC[NH+]1CCCC1)C(=O)N[C@H](c1nccn1C)c1ccccc1 ZINC000558388645 505373301 /nfs/dbraw/zinc/37/33/01/505373301.db2.gz BSPQAXCSDWASQJ-IBGZPJMESA-N 2 0 369.513 3.027 20 0 FGADRP C[N@@H+]1CC[C@@H](C(=O)NCCC[NH+](Cc2ccccc2)Cc2ccccc2)C1 ZINC000552054193 505384038 /nfs/dbraw/zinc/38/40/38/505384038.db2.gz NSEWAOBLBRQLCB-JOCHJYFZSA-N 2 0 365.521 3.147 20 0 FGADRP CCC[N@H+](C)[C@@H](CNC1CC[NH+](CCOC)CC1)c1ccc(Cl)cc1 ZINC000552090828 505395990 /nfs/dbraw/zinc/39/59/90/505395990.db2.gz VEDJULZAOABERF-FQEVSTJZSA-N 2 0 367.965 3.423 20 0 FGADRP C[C@H](OC[C@H](O)C[N@@H+]1CC[C@H](c2nccn2C)C1)c1ccc(Cl)cc1 ZINC000567246656 505406858 /nfs/dbraw/zinc/40/68/58/505406858.db2.gz QBCFEMCDIAXENQ-QILLFSRXSA-N 2 0 363.889 3.002 20 0 FGADRP CSc1ccc(C[NH2+]CCN2CC[NH+](Cc3ccccc3)CC2)s1 ZINC000558490797 505407150 /nfs/dbraw/zinc/40/71/50/505407150.db2.gz HVSGDQBSQUUOAE-UHFFFAOYSA-N 2 0 361.580 3.377 20 0 FGADRP C[C@H](CCc1ccc(F)cc1F)[NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000552276673 505448230 /nfs/dbraw/zinc/44/82/30/505448230.db2.gz GWKMFYFVLMBZNF-JSNMRZPZSA-N 2 0 352.469 3.253 20 0 FGADRP Clc1ccc([C@H]2CC[C@@H]([NH2+]Cc3nnc(C4CC[NH2+]CC4)[nH]3)C2)cc1 ZINC000567581139 505505534 /nfs/dbraw/zinc/50/55/34/505505534.db2.gz YXUANEAOJJLURV-DOTOQJQBSA-N 2 0 359.905 3.351 20 0 FGADRP CC1CC[NH+](CCc2cccc(NC(=O)[C@@H]([NH3+])Cc3ccccc3)c2)CC1 ZINC000564792414 505522183 /nfs/dbraw/zinc/52/21/83/505522183.db2.gz ISDFDRKRDOTVEE-QFIPXVFZSA-N 2 0 365.521 3.470 20 0 FGADRP C[C@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)[C@@H]1C[C@H]1c1ccccc1 ZINC000558920287 505530130 /nfs/dbraw/zinc/53/01/30/505530130.db2.gz OVPVQBOTZJNYTR-YYWHXJBOSA-N 2 0 350.510 3.115 20 0 FGADRP CC(C)(C)[NH+]1CCC([NH2+]C[C@@H](O)COCc2ccc(Cl)cc2)CC1 ZINC000567678927 505533186 /nfs/dbraw/zinc/53/31/86/505533186.db2.gz DZXIHCQZMBOKKR-GOSISDBHSA-N 2 0 354.922 3.070 20 0 FGADRP C[NH+]1CCC(CC[NH2+]CCC(=O)Nc2ccc(Br)cc2)CC1 ZINC000564847573 505537832 /nfs/dbraw/zinc/53/78/32/505537832.db2.gz GBRGHQSPUGNTAR-UHFFFAOYSA-N 2 0 368.319 3.099 20 0 FGADRP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+]C[C@H](O)COc2ccccc2Cl)C1 ZINC000567688608 505537890 /nfs/dbraw/zinc/53/78/90/505537890.db2.gz USVCMMURNLCHKO-IRXDYDNUSA-N 2 0 354.922 3.037 20 0 FGADRP C[C@@H](c1ccccc1)[C@H](O)C[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000567691246 505538294 /nfs/dbraw/zinc/53/82/94/505538294.db2.gz SLVNTLOKKCSJST-WMZHIEFXSA-N 2 0 368.521 3.415 20 0 FGADRP CC(C)[NH+]1CCC(C(=O)N[C@@H](C[NH+](C)C)c2ccc(Cl)cc2)CC1 ZINC000558971029 505541959 /nfs/dbraw/zinc/54/19/59/505541959.db2.gz ADSNJSDOZUWCAW-SFHVURJKSA-N 2 0 351.922 3.179 20 0 FGADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000564922090 505558743 /nfs/dbraw/zinc/55/87/43/505558743.db2.gz HVLHZWKXYCUSHJ-MJGOQNOKSA-N 2 0 363.933 3.056 20 0 FGADRP COc1ccc([C@H](C[NH+](C)C)NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)cc1 ZINC000552818318 505559537 /nfs/dbraw/zinc/55/95/37/505559537.db2.gz JZXMLSBRJNCRCS-NQIIRXRSSA-N 2 0 373.541 3.069 20 0 FGADRP COc1ccc([C@@H](C[NH+](C)C)NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)cc1 ZINC000552818320 505559699 /nfs/dbraw/zinc/55/96/99/505559699.db2.gz JZXMLSBRJNCRCS-WIYYLYMNSA-N 2 0 373.541 3.069 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)N2CCc3ccccc3[C@@H]2C[NH3+])C1 ZINC000564938735 505561871 /nfs/dbraw/zinc/56/18/71/505561871.db2.gz SHCXGVQJODUBHH-UEXGIBASSA-N 2 0 372.557 3.012 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)NCc1ccc(C[NH3+])cc1)c1ccsc1 ZINC000567819462 505565803 /nfs/dbraw/zinc/56/58/03/505565803.db2.gz MBZFZJQYBJOCOY-GOSISDBHSA-N 2 0 360.527 3.089 20 0 FGADRP CC[NH2+]CC1CC[NH+]([C@H]2CCN(c3ccccc3C(F)(F)F)C2=O)CC1 ZINC000564989792 505565927 /nfs/dbraw/zinc/56/59/27/505565927.db2.gz BRFRTNPHEHMEDK-KRWDZBQOSA-N 2 0 369.431 3.132 20 0 FGADRP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H](c1c(F)cccc1Cl)N1CCCC1 ZINC000599394736 506439643 /nfs/dbraw/zinc/43/96/43/506439643.db2.gz JCJUXDVEIYYBJC-IRXDYDNUSA-N 2 0 367.896 3.217 20 0 FGADRP CC[C@@H](C)[N@H+](C)CCNC(=O)N(CC[NH+](C)C)Cc1cccc(Cl)c1 ZINC000589221103 506490997 /nfs/dbraw/zinc/49/09/97/506490997.db2.gz OZOWRKCTTRRQHF-MRXNPFEDSA-N 2 0 368.953 3.144 20 0 FGADRP C[C@@H]([NH2+]CCC1CC[NH2+]CC1)c1ccccc1I ZINC000593323029 506539586 /nfs/dbraw/zinc/53/95/86/506539586.db2.gz OMCLPTLRTPZGBB-GFCCVEGCSA-N 2 0 358.267 3.332 20 0 FGADRP CCCC[N@H+](C)C[C@@H](C)NC(=O)N1CCC[NH+](Cc2ccccc2)CC1 ZINC000583116757 506596908 /nfs/dbraw/zinc/59/69/08/506596908.db2.gz JTVMLLLYUKHWDY-LJQANCHMSA-N 2 0 360.546 3.024 20 0 FGADRP CC1CC[NH+](CCCNC(=O)N2CC[C@@H]([N@H+](C)Cc3ccccc3)C2)CC1 ZINC000608624035 506637025 /nfs/dbraw/zinc/63/70/25/506637025.db2.gz CDLLLKXSAQHVDW-OAQYLSRUSA-N 2 0 372.557 3.024 20 0 FGADRP CCN(CC(=O)NCc1ccccc1F)Cc1ccc(C[NH+](C)C)cc1 ZINC000589999817 506702263 /nfs/dbraw/zinc/70/22/63/506702263.db2.gz XMJLEVAIMHLUFT-UHFFFAOYSA-N 2 0 357.473 3.026 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1CCNC(=O)N[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000590078972 506727427 /nfs/dbraw/zinc/72/74/27/506727427.db2.gz MJJHOAANWVNUTN-TZIWHRDSSA-N 2 0 372.557 3.387 20 0 FGADRP COc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]C[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000583348830 506729472 /nfs/dbraw/zinc/72/94/72/506729472.db2.gz HDIGZCMBQWLPKC-CABCVRRESA-N 2 0 367.921 3.386 20 0 FGADRP COC(=O)c1ccc(C[NH2+]Cc2cccc(C[NH+]3CCCC3)c2)cc1F ZINC000597074193 506759898 /nfs/dbraw/zinc/75/98/98/506759898.db2.gz BOYJRQGJJNEXLM-UHFFFAOYSA-N 2 0 356.441 3.498 20 0 FGADRP CCC[NH+](CCC)CCCNC(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000590353541 506802110 /nfs/dbraw/zinc/80/21/10/506802110.db2.gz RKBKMQFCPZGLSB-UHFFFAOYSA-N 2 0 352.567 3.016 20 0 FGADRP CC(C)(C)OC(=O)[C@@H](C[NH2+]C1CCN(c2cc[nH+]cc2)CC1)C1CCC1 ZINC000597256812 506865979 /nfs/dbraw/zinc/86/59/79/506865979.db2.gz HGHVHECRMHWQEH-IBGZPJMESA-N 2 0 359.514 3.398 20 0 FGADRP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](Cc3cc4cc(Cl)cnc4o3)C2)CC1 ZINC000590640498 506893407 /nfs/dbraw/zinc/89/34/07/506893407.db2.gz IQVLNSVPIHYFIK-QGZVFWFLSA-N 2 0 362.905 3.082 20 0 FGADRP C[C@H]([NH2+]CC1CC[NH2+]CC1)c1ccc(OC[C@H]2CCCCO2)c(F)c1 ZINC000583687514 506916838 /nfs/dbraw/zinc/91/68/38/506916838.db2.gz KMURZJSVPVVNMZ-MAUKXSAKSA-N 2 0 350.478 3.424 20 0 FGADRP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)N[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000594105050 506940879 /nfs/dbraw/zinc/94/08/79/506940879.db2.gz WYUQRGYNLLJWOF-ZVDOUQERSA-N 2 0 372.557 3.213 20 0 FGADRP CC(C)[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+](Cc3cccc(F)c3)C2)C1 ZINC000604786642 506942705 /nfs/dbraw/zinc/94/27/05/506942705.db2.gz FRTYDTXKBRCWNC-AZUAARDMSA-N 2 0 361.505 3.027 20 0 FGADRP Cc1ccccc1C[NH+]1CCC(NC(=O)C[NH+](CC2CC2)CC2CC2)CC1 ZINC000583744912 506948630 /nfs/dbraw/zinc/94/86/30/506948630.db2.gz MSARTMUVYOVSHU-UHFFFAOYSA-N 2 0 369.553 3.198 20 0 FGADRP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N2CC[NH+](C3CCC3)CC2)CC1 ZINC000604822443 506956961 /nfs/dbraw/zinc/95/69/61/506956961.db2.gz IWPCBBWEDINSQV-GOSISDBHSA-N 2 0 370.541 3.092 20 0 FGADRP CCN(Cc1ccccc1)C(=O)[C@H](C)[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000590819065 506980070 /nfs/dbraw/zinc/98/00/70/506980070.db2.gz XUHULYFSQDZUBT-IBGZPJMESA-N 2 0 359.558 3.476 20 0 FGADRP C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000583806711 506984281 /nfs/dbraw/zinc/98/42/81/506984281.db2.gz SRXOHNZLHDHGCM-APIJFGDWSA-N 2 0 369.431 3.400 20 0 FGADRP C[NH+](C)Cc1ccc(CNC(=O)c2ccc(Nc3cc[nH+]cc3)cc2)cc1 ZINC000605399194 507175849 /nfs/dbraw/zinc/17/58/49/507175849.db2.gz LOWAQAAPZQPWFZ-UHFFFAOYSA-N 2 0 360.461 3.239 20 0 FGADRP C[C@@H](C1CC1)N(C(=O)C[NH+]1CCC(C[NH+]2CCCCCC2)CC1)C1CC1 ZINC000613644809 507197290 /nfs/dbraw/zinc/19/72/90/507197290.db2.gz MWVDCFLJISNJGO-SFHVURJKSA-N 2 0 361.574 3.364 20 0 FGADRP CC(C)[NH2+][C@H]1CCCN(C(=O)[C@H](C)[NH+]2CCC(Cc3ccccc3)CC2)C1 ZINC000600980884 507213918 /nfs/dbraw/zinc/21/39/18/507213918.db2.gz MPDDPVWBAZHXJP-UGKGYDQZSA-N 2 0 371.569 3.319 20 0 FGADRP C[N@@H+]1CCCC[C@@H]1C(=O)NCCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000601007929 507226254 /nfs/dbraw/zinc/22/62/54/507226254.db2.gz RVKDLHLMSSGEJU-JOCHJYFZSA-N 2 0 371.569 3.322 20 0 FGADRP CC[NH+](CC)[C@H](C)CNC(=O)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000584309810 507271179 /nfs/dbraw/zinc/27/11/79/507271179.db2.gz ZBTQRPRSHVDRLZ-DENIHFKCSA-N 2 0 372.557 3.024 20 0 FGADRP C[C@@H]1C[C@@H](NC(=O)NC[C@@H]2CCCC[NH+](Cc3ccccc3)C2)CC[N@@H+]1C ZINC000584323904 507278848 /nfs/dbraw/zinc/27/88/48/507278848.db2.gz NGKFZZBMEUXGDL-GIVPXCGWSA-N 2 0 372.557 3.071 20 0 FGADRP C[C@H](CNC(=O)NCCCCC[NH+]1CCCCC1)[NH+]1CCC(C)CC1 ZINC000601285106 507321724 /nfs/dbraw/zinc/32/17/24/507321724.db2.gz ZIBILFNKTFNLRM-LJQANCHMSA-N 2 0 352.567 3.062 20 0 FGADRP COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000595001551 507348162 /nfs/dbraw/zinc/34/81/62/507348162.db2.gz WXKQDULYVMMZED-VBSBHUPXSA-N 2 0 356.510 3.076 20 0 FGADRP C[C@@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+]CCN1CC[C@@H](C)C1 ZINC000584491723 507373924 /nfs/dbraw/zinc/37/39/24/507373924.db2.gz XWWJHZQKCTWDOY-KGLIPLIRSA-N 2 0 357.420 3.354 20 0 FGADRP CCOC(=O)c1cnc2ccc(OC)cc2c1N1CCC[C@H]([NH2+]C(C)C)C1 ZINC000610806727 507396321 /nfs/dbraw/zinc/39/63/21/507396321.db2.gz LIUMDBPGMDCAGA-HNNXBMFYSA-N 2 0 371.481 3.387 20 0 FGADRP Cc1ccc([C@@H](CNC(=O)N[C@@H](C)C2CC[NH+](C)CC2)[NH+]2CCCC2)cc1 ZINC000606662117 507473507 /nfs/dbraw/zinc/47/35/07/507473507.db2.gz NRENYMFZUIIMRA-GHTZIAJQSA-N 2 0 372.557 3.161 20 0 FGADRP CC[N@H+](CCNC(=O)N(C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1)C(C)C ZINC000606666935 507474371 /nfs/dbraw/zinc/47/43/71/507474371.db2.gz VQAQAPOTVQKYSS-PZJWPPBQSA-N 2 0 374.573 3.411 20 0 FGADRP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)N1CCC[NH+](C2CCCC2)CC1 ZINC000606684419 507478528 /nfs/dbraw/zinc/47/85/28/507478528.db2.gz VHWFYMKQCHPOMO-FQEVSTJZSA-N 2 0 364.578 3.301 20 0 FGADRP C[C@H](NC(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1)C1CC[NH+](C)CC1 ZINC000606701062 507487918 /nfs/dbraw/zinc/48/79/18/507487918.db2.gz VJASYOQLHUTTNU-SFHVURJKSA-N 2 0 372.557 3.023 20 0 FGADRP CC(C)(C)OC(=O)[C@@H]1CC[N@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000611274399 507599240 /nfs/dbraw/zinc/59/92/40/507599240.db2.gz UBEIAGLTHZJLOP-LJQANCHMSA-N 2 0 374.525 3.325 20 0 FGADRP CCC(CC)[C@H](CNC(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1)[NH+]1CCCC1 ZINC000592481438 507674397 /nfs/dbraw/zinc/67/43/97/507674397.db2.gz JQFRMGHZJMLXTM-QUCCMNQESA-N 2 0 364.578 3.203 20 0 FGADRP CC(C)[C@H](CNC(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1)[NH+]1CCC(C)CC1 ZINC000592490840 507678096 /nfs/dbraw/zinc/67/80/96/507678096.db2.gz PBEWEQQNXBGNKD-QUCCMNQESA-N 2 0 364.578 3.059 20 0 FGADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2C)C1 ZINC000779054540 724385203 /nfs/dbraw/zinc/38/52/03/724385203.db2.gz PZIOUIUIJNMXGZ-SQNIBIBYSA-N 2 0 353.551 3.342 20 0 FGADRP CC[C@H]1CN(C(=O)NCc2ccc(C[NH+]3CCC(C)CC3)cc2)CC[C@@H]1[NH3+] ZINC000669115329 567997418 /nfs/dbraw/zinc/99/74/18/567997418.db2.gz MCPBLLWIGBUDQX-SFTDATJTSA-N 2 0 372.557 3.187 20 0 FGADRP CC[NH+]1CCC(N2CCC[N@H+](CCOc3cc(C)cc(C)c3)CC2)CC1 ZINC000643255239 568404550 /nfs/dbraw/zinc/40/45/50/568404550.db2.gz ACJHKSZWKWARII-UHFFFAOYSA-N 2 0 359.558 3.174 20 0 FGADRP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1cc(-c2nn[nH]n2)ccc1F ZINC000736558239 598509815 /nfs/dbraw/zinc/50/98/15/598509815.db2.gz GADMCIWOWICELK-UHFFFAOYSA-N 2 0 368.460 3.090 20 0 FGADRP Fc1ccc(C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)c(-c2nn[nH]n2)c1 ZINC000737649621 598680831 /nfs/dbraw/zinc/68/08/31/598680831.db2.gz NMDYODPHBVFDSK-UHFFFAOYSA-N 2 0 372.492 3.094 20 0 FGADRP C[C@H]([NH2+]CCCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824875216 609328148 /nfs/dbraw/zinc/32/81/48/609328148.db2.gz JRXLYMKLUDXVGM-XHSDSOJGSA-N 2 0 374.508 3.415 20 0 FGADRP C[C@@H]([NH2+]C1CCC([NH+]2CCCCC2)CC1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824536968 609338151 /nfs/dbraw/zinc/33/81/51/609338151.db2.gz BJKNIDVEFXZMHH-ODIFPOPNSA-N 2 0 372.492 3.454 20 0 FGADRP Cc1cccc(C)c1NC(=S)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000016184147 695625948 /nfs/dbraw/zinc/62/59/48/695625948.db2.gz YRIQKYCGNYYZSD-UHFFFAOYSA-N 2 0 350.576 3.206 20 0 FGADRP CCC[NH+]1CCN(c2ccccc2C[NH2+]CCc2nc(C)cs2)CC1 ZINC000088679942 700380746 /nfs/dbraw/zinc/38/07/46/700380746.db2.gz RIJURQIQQYDYEG-UHFFFAOYSA-N 2 0 358.555 3.316 20 0 FGADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCC[C@@H]2NC(=O)OC(C)(C)C)C1 ZINC000123114096 700700267 /nfs/dbraw/zinc/70/02/67/700700267.db2.gz OKBWXXQWXXOKFG-KURKYZTESA-N 2 0 353.551 3.390 20 0 FGADRP COc1cc([C@H](C)[NH2+]C[C@@H](C)N2CC[NH+](C)CC2)ccc1SC(F)F ZINC000127759894 700766196 /nfs/dbraw/zinc/76/61/96/700766196.db2.gz AGUVSARBWLWQFJ-KGLIPLIRSA-N 2 0 373.513 3.296 20 0 FGADRP CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]([NH2+]C2CC[NH+](CC3CC3)CC2)C1 ZINC000130229956 700798336 /nfs/dbraw/zinc/79/83/36/700798336.db2.gz BJYRCLDEHZURCX-QZTJIDSGSA-N 2 0 351.535 3.286 20 0 FGADRP [NH3+][C@@H](C(=O)NCc1cccc(C[NH+]2CCCC2)c1)c1cccc(Cl)c1 ZINC000164738590 705332103 /nfs/dbraw/zinc/33/21/03/705332103.db2.gz HNJZQHXTRGNAFO-LJQANCHMSA-N 2 0 357.885 3.252 20 0 FGADRP CCC[NH+]1CCC(C[NH2+][C@@H]2CCC[C@@H]2CNC(=O)OC(C)(C)C)CC1 ZINC000180448244 705740598 /nfs/dbraw/zinc/74/05/98/705740598.db2.gz VVBRRGXCOHADOA-QZTJIDSGSA-N 2 0 353.551 3.391 20 0 FGADRP O[C@@H](C[NH+]1CCC(CCC[NH+]2CCOCC2)CC1)c1ccccc1Cl ZINC000182988794 705872283 /nfs/dbraw/zinc/87/22/83/705872283.db2.gz RGBFXQIYUVXKMC-FQEVSTJZSA-N 2 0 366.933 3.198 20 0 FGADRP CC1CC[NH+](CCC[NH2+]C[C@]2(C)CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000195185805 713548302 /nfs/dbraw/zinc/54/83/02/713548302.db2.gz NPCTZLULTVXUND-FQEVSTJZSA-N 2 0 353.551 3.345 20 0 FGADRP CCC[NH+]1CCC(C[NH2+]C[C@@]2(C)CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000195201141 713549212 /nfs/dbraw/zinc/54/92/12/713549212.db2.gz WTIZOBKLCJTMMK-HXUWFJFHSA-N 2 0 353.551 3.345 20 0 FGADRP Cc1ncc(C[NH2+]CCCC[NH+]2CCN(c3cccc(C)c3)CC2)s1 ZINC000237722128 713596485 /nfs/dbraw/zinc/59/64/85/713596485.db2.gz BTXANPHPSSUNHO-UHFFFAOYSA-N 2 0 358.555 3.452 20 0 FGADRP CC(C)(C)OC(=O)NC[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)C1CCCC1 ZINC000249043069 713662917 /nfs/dbraw/zinc/66/29/17/713662917.db2.gz VGLOXKFBUGXBMZ-BZSNNMDCSA-N 2 0 351.535 3.286 20 0 FGADRP O=c1[nH]c2ccc(C[NH2+]CC3CC[NH+](Cc4cccs4)CC3)cc2[nH]1 ZINC000641711951 717922893 /nfs/dbraw/zinc/92/28/93/717922893.db2.gz GSUQZOBTJFPWAT-UHFFFAOYSA-N 2 0 356.495 3.332 20 0 FGADRP C[C@@H]([NH2+][C@@H](C)C1CC[NH+](C)CC1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000301644449 713782209 /nfs/dbraw/zinc/78/22/09/713782209.db2.gz USNJAIDCQWOXAX-JZXOWHBKSA-N 2 0 353.551 3.342 20 0 FGADRP C[C@H](C[NH2+][C@H]1CCC[C@@H]1CNC(=O)OC(C)(C)C)C[NH+]1CCCCC1 ZINC000301467114 713782244 /nfs/dbraw/zinc/78/22/44/713782244.db2.gz ZQKJMRMECJNNTK-KURKYZTESA-N 2 0 353.551 3.391 20 0 FGADRP C[C@H]([NH2+]C[C@]1(C)CCCN(C(=O)OC(C)(C)C)C1)C1CC[NH+](C)CC1 ZINC000305588136 713793380 /nfs/dbraw/zinc/79/33/80/713793380.db2.gz CPBUOWZJVSDYMW-JXFKEZNVSA-N 2 0 353.551 3.344 20 0 FGADRP C[NH+](C)CCCC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000310513008 713799281 /nfs/dbraw/zinc/79/92/81/713799281.db2.gz QMMGXHWXXXPECS-KURKYZTESA-N 2 0 353.551 3.486 20 0 FGADRP CC(C)(C)OC(=O)N1CCC[C@](C)(C[NH2+]C2CCN(C3CC3)CC2)C1 ZINC000310763992 713800570 /nfs/dbraw/zinc/80/05/70/713800570.db2.gz NGVUITXLRGUKEA-HXUWFJFHSA-N 2 0 351.535 3.240 20 0 FGADRP CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000378880082 713974911 /nfs/dbraw/zinc/97/49/11/713974911.db2.gz FNDONFDFYIPEKH-FJIDUMEYSA-N 2 0 351.535 3.286 20 0 FGADRP CC1CC[NH+](CCC[NH2+][C@@H]2CCC[C@@H]2CNC(=O)OC(C)(C)C)CC1 ZINC000384457570 713982152 /nfs/dbraw/zinc/98/21/52/713982152.db2.gz ZINOEYSWLKWZAW-QZTJIDSGSA-N 2 0 353.551 3.391 20 0 FGADRP O[C@@H]1[C@@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CCCC1(F)F ZINC000414309690 714003920 /nfs/dbraw/zinc/00/39/20/714003920.db2.gz YKNDOBXARXSSHX-XCDZQEORSA-N 2 0 350.453 3.320 20 0 FGADRP C[NH+](C)CC[C@@H](NC(=O)NCCC[N@H+](C)C1CCCCC1)C(C)(C)C ZINC000522612345 714195317 /nfs/dbraw/zinc/19/53/17/714195317.db2.gz UWHYQJYKMPFLMA-GOSISDBHSA-N 2 0 354.583 3.307 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)NCC[N@H+](C)C(C)C)c1ccccc1Cl ZINC000523194583 714222263 /nfs/dbraw/zinc/22/22/63/714222263.db2.gz FTMBYBMNLXAWKT-SFHVURJKSA-N 2 0 368.953 3.362 20 0 FGADRP Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC000524970283 714313449 /nfs/dbraw/zinc/31/34/49/714313449.db2.gz YAKOZNBXUVQVFS-HZPDHXFCSA-N 2 0 361.555 3.355 20 0 FGADRP C[C@@H](NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1cc2ccccc2s1 ZINC000526951016 714414726 /nfs/dbraw/zinc/41/47/26/714414726.db2.gz ILUORMFGCAUIFE-OAHLLOKOSA-N 2 0 362.543 3.097 20 0 FGADRP C[C@H]([NH2+][C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1)[C@@H]1CCC[NH2+]C1 ZINC000575372960 714457460 /nfs/dbraw/zinc/45/74/60/714457460.db2.gz MQKJVSBCLXZURR-LESCRADOSA-N 2 0 355.448 3.257 20 0 FGADRP CC[NH+]1CCC(CC[NH2+]C[C@H](O)COc2cc(C)ccc2Cl)CC1 ZINC000577722486 714467974 /nfs/dbraw/zinc/46/79/74/714467974.db2.gz SKYNCTIEBWYYBA-KRWDZBQOSA-N 2 0 354.922 3.100 20 0 FGADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2CCn1ccc2cc(Cl)ccc21 ZINC000577920115 714471064 /nfs/dbraw/zinc/47/10/64/714471064.db2.gz BMMLTEHRQNYOJX-RLLQIKCJSA-N 2 0 361.917 3.478 20 0 FGADRP COc1ccc2c(c1)[C@H]([NH2+]CC1(SC)CC[NH+](C)CC1)CCCO2 ZINC000579891347 714500150 /nfs/dbraw/zinc/50/01/50/714500150.db2.gz OFQBZTMRWIUEBN-QGZVFWFLSA-N 2 0 350.528 3.326 20 0 FGADRP CC(C)[NH+](CCNC(=O)NCC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1)C(C)C ZINC000618942659 714789668 /nfs/dbraw/zinc/78/96/68/714789668.db2.gz RADXJTIPDLOZQT-ROUUACIJSA-N 2 0 354.583 3.161 20 0 FGADRP O=C(CC[C@H]1CCC[NH2+]C1)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000621641160 715013523 /nfs/dbraw/zinc/01/35/23/715013523.db2.gz BJYSTJPRVDPHAS-VQIMIIECSA-N 2 0 363.933 3.373 20 0 FGADRP Brc1cccc(CCC[NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)c1 ZINC000643469468 718035241 /nfs/dbraw/zinc/03/52/41/718035241.db2.gz XLEZHSBWLJPKRR-RCCFBDPRSA-N 2 0 367.331 3.128 20 0 FGADRP COc1cc(Cl)c(C)cc1NC(=O)CC[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623438998 715336433 /nfs/dbraw/zinc/33/64/33/715336433.db2.gz RUMXXHRNLOHCLO-CQSZACIVSA-N 2 0 367.921 3.448 20 0 FGADRP CN1C(=O)C[C@H](N[C@@H]2CC[N@H+](C)C(C)(C)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000623472195 715343132 /nfs/dbraw/zinc/34/31/32/715343132.db2.gz HUGWUJUDWSTLCB-RPVQJOFSSA-N 2 0 367.896 3.213 20 0 FGADRP C[N@@H+]1CC[C@H]([NH2+][C@H]2CCN(c3cccc(Br)c3)C2)CC1(C)C ZINC000623509572 715350982 /nfs/dbraw/zinc/35/09/82/715350982.db2.gz JEJFFZAHRFVRKL-HOTGVXAUSA-N 2 0 366.347 3.490 20 0 FGADRP COc1cc(OC)c(C[C@H](C)[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)c(OC)c1 ZINC000623538601 715357491 /nfs/dbraw/zinc/35/74/91/715357491.db2.gz LDHCCTDVGSACGX-LSDHHAIUSA-N 2 0 350.503 3.106 20 0 FGADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H]1CCCC[C@H]1Sc1ccc(F)cc1 ZINC000623889911 715425389 /nfs/dbraw/zinc/42/53/89/715425389.db2.gz ZLSLBNGWBDFARV-LSTHTHJFSA-N 2 0 365.562 3.455 20 0 FGADRP C[NH2+]CCOCC[N@H+](C)Cc1ccc(Oc2ccccc2F)c(F)c1 ZINC000629571786 716310944 /nfs/dbraw/zinc/31/09/44/716310944.db2.gz QMKVNHUZGRRGLW-UHFFFAOYSA-N 2 0 350.409 3.425 20 0 FGADRP C[NH2+]CCOCC[N@H+](C)Cc1cc(Br)cc(C(F)(F)F)c1 ZINC000629653283 716329561 /nfs/dbraw/zinc/32/95/61/716329561.db2.gz JZOCGWJIZDIHIU-UHFFFAOYSA-N 2 0 369.225 3.136 20 0 FGADRP [NH3+]CCCOCC[NH2+]Cc1csc(-c2cccc(Br)c2)n1 ZINC000629660426 716332248 /nfs/dbraw/zinc/33/22/48/716332248.db2.gz UBFLFMXDKSQKOV-UHFFFAOYSA-N 2 0 370.316 3.028 20 0 FGADRP CN1CC[NH+](CCCC[NH2+]Cc2cccc(Br)c2Cl)CC1 ZINC000631040088 716553167 /nfs/dbraw/zinc/55/31/67/716553167.db2.gz GLFWDCYWHBLDHI-UHFFFAOYSA-N 2 0 374.754 3.220 20 0 FGADRP C[NH+](C)[C@@H](CNC(=O)N1CCC(C)([NH+]2CCCC2)CC1)c1ccsc1 ZINC000632856434 716829840 /nfs/dbraw/zinc/82/98/40/716829840.db2.gz JCJIZBISQLGEHI-KRWDZBQOSA-N 2 0 364.559 3.011 20 0 FGADRP O=S1(=O)CCC[C@@H]([NH2+]Cc2ccc(C[NH+]3CCCCCC3)cc2)CC1 ZINC000634957284 717135610 /nfs/dbraw/zinc/13/56/10/717135610.db2.gz HTXPKPCILSRLHY-HXUWFJFHSA-N 2 0 364.555 3.120 20 0 FGADRP C[NH+]1CCC(N2CCC([NH2+]Cc3cc(Cl)cc(Cl)c3N)CC2)CC1 ZINC000638460135 717448969 /nfs/dbraw/zinc/44/89/69/717448969.db2.gz SHWZWFIFFQJATH-UHFFFAOYSA-N 2 0 371.356 3.224 20 0 FGADRP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(OCC[N@H+](C)C3CCOCC3)c2)CS1 ZINC000638508983 717453316 /nfs/dbraw/zinc/45/33/16/717453316.db2.gz PUBRKCFDCCWNLM-SJLPKXTDSA-N 2 0 364.555 3.160 20 0 FGADRP C[NH+](C)C[C@@H](NC(=O)CC[C@H]1CC[NH2+]C1)c1ccc(Cl)c(Cl)c1 ZINC000638663050 717473344 /nfs/dbraw/zinc/47/33/44/717473344.db2.gz FEEXJPGWEVRLHS-BLLLJJGKSA-N 2 0 358.313 3.102 20 0 FGADRP CCCC[N@H+](C)C[C@@H](C)NC(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000638716536 717479247 /nfs/dbraw/zinc/47/92/47/717479247.db2.gz LUNVLXKXCOWLIH-QGZVFWFLSA-N 2 0 352.567 3.203 20 0 FGADRP COc1nsc(C[NH2+]C2CCC(C[NH+](C)C)CC2)c1Br ZINC000638780440 717485847 /nfs/dbraw/zinc/48/58/47/717485847.db2.gz QDWHDZIZBPCABL-UHFFFAOYSA-N 2 0 362.337 3.124 20 0 FGADRP Cc1ccc(C[NH2+]C2CC[NH+](CC(C)(C)O)CC2)cc1Br ZINC000639397775 717552652 /nfs/dbraw/zinc/55/26/52/717552652.db2.gz LOCRZFLRASKXRV-UHFFFAOYSA-N 2 0 355.320 3.082 20 0 FGADRP C[NH+]1CCC2(CC[N@H+](C[C@H](O)Cc3ccc(C(F)(F)F)cc3)C2)CC1 ZINC000639758508 717598915 /nfs/dbraw/zinc/59/89/15/717598915.db2.gz VROVJPXAIQDBIK-QGZVFWFLSA-N 2 0 356.432 3.027 20 0 FGADRP C[C@H](OC[C@@H](O)C[N@@H+]1CCC2(C1)CC[NH+](C)CC2)c1ccc(Cl)cc1 ZINC000639759799 717599243 /nfs/dbraw/zinc/59/92/43/717599243.db2.gz JWLRXZDDVAMEPZ-LPHOPBHVSA-N 2 0 366.933 3.196 20 0 FGADRP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]C[C@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000644583855 718128497 /nfs/dbraw/zinc/12/84/97/718128497.db2.gz ZIAQIMLUHZQALW-KFWWJZLASA-N 2 0 361.313 3.196 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)C1([NH3+])CCC1)c1ccc(C(F)(F)F)cc1 ZINC000645770241 718240327 /nfs/dbraw/zinc/24/03/27/718240327.db2.gz KZACWPIZVCBWKG-OAHLLOKOSA-N 2 0 357.420 3.086 20 0 FGADRP C[NH+]1CCC(C[NH2+]Cc2cc(OC(F)F)ccc2Br)CC1 ZINC000647179657 718338005 /nfs/dbraw/zinc/33/80/05/718338005.db2.gz KBOGWUGEPRHRDG-UHFFFAOYSA-N 2 0 363.246 3.482 20 0 FGADRP Clc1cccc(-c2noc(CC[N@@H+]3CCC[C@@H]([C@H]4CCC[NH2+]4)C3)n2)c1 ZINC000647903617 718385440 /nfs/dbraw/zinc/38/54/40/718385440.db2.gz NCVMDPRIEMUQDU-NVXWUHKLSA-N 2 0 360.889 3.397 20 0 FGADRP O=C(CC[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1)NCc1ccccc1Cl ZINC000647975618 718390863 /nfs/dbraw/zinc/39/08/63/718390863.db2.gz CRDKZPAQGMDIOB-SJLPKXTDSA-N 2 0 363.933 3.058 20 0 FGADRP C[C@H](C(=O)Nc1cc(F)ccc1F)[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647977033 718391441 /nfs/dbraw/zinc/39/14/41/718391441.db2.gz XEXQRMYSRFTSCK-RBSFLKMASA-N 2 0 351.441 3.003 20 0 FGADRP O=C1[C@H]([N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)CCN1c1ccccc1Cl ZINC000647978028 718391734 /nfs/dbraw/zinc/39/17/34/718391734.db2.gz LKOBNKKKGVHGOP-JTDSTZFVSA-N 2 0 361.917 3.157 20 0 FGADRP C[NH+](C)CCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000648151560 718401533 /nfs/dbraw/zinc/40/15/33/718401533.db2.gz RMTJUPXPVHYJHH-OKILXGFUSA-N 2 0 358.313 3.011 20 0 FGADRP C[NH+](C)CCOc1ccc(C[N@H+](C)[C@@H](CO)c2ccc(Cl)cc2)cc1 ZINC000648714238 718445931 /nfs/dbraw/zinc/44/59/31/718445931.db2.gz QIJXQUHEXJFVNJ-FQEVSTJZSA-N 2 0 362.901 3.446 20 0 FGADRP C[C@@H]1CC[NH2+][C@@H](C(=O)NCC2CC[NH+](Cc3ccccc3Cl)CC2)C1 ZINC000649323971 718504005 /nfs/dbraw/zinc/50/40/05/718504005.db2.gz BPEOVMURUKQABO-DNVCBOLYSA-N 2 0 363.933 3.056 20 0 FGADRP CC(C)([NH3+])CCC(=O)NC[C@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1 ZINC000649331635 718505208 /nfs/dbraw/zinc/50/52/08/718505208.db2.gz HUVDKPMEVOMCDQ-QGZVFWFLSA-N 2 0 351.922 3.328 20 0 FGADRP CC[C@@]1([NH2+]Cc2ccc(F)c(C[NH2+][C@]3(CC)CCOC3)c2)CCOC1 ZINC000649482969 718520175 /nfs/dbraw/zinc/52/01/75/718520175.db2.gz XMPMPDWAJOCHLE-WOJBJXKFSA-N 2 0 350.478 3.143 20 0 FGADRP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)CCC(=O)N3CCCCC3)C2)s1 ZINC000649603279 718536668 /nfs/dbraw/zinc/53/66/68/718536668.db2.gz DSLNDMWFLBEMBQ-SFHVURJKSA-N 2 0 363.571 3.213 20 0 FGADRP C[C@@H](CC[NH+](C)C)NC(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000650416900 718674777 /nfs/dbraw/zinc/67/47/77/718674777.db2.gz FROATVWDOOIPNQ-INIZCTEOSA-N 2 0 364.559 3.336 20 0 FGADRP CC(C)[N@H+](C)CCNC(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000650417017 718674797 /nfs/dbraw/zinc/67/47/97/718674797.db2.gz KDEAQYFRJZKKIA-UHFFFAOYSA-N 2 0 364.559 3.336 20 0 FGADRP CC[N@H+](CCCNC(=O)NC1CC[NH+](C(C)C)CC1)C1CCCCC1 ZINC000650561702 718698728 /nfs/dbraw/zinc/69/87/28/718698728.db2.gz WUYBCRLXENLPMT-UHFFFAOYSA-N 2 0 352.567 3.203 20 0 FGADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@@H+]2Cc2ccc(F)cc2Br)C1 ZINC000650724056 718721327 /nfs/dbraw/zinc/72/13/27/718721327.db2.gz XRODLVOULKHDRA-DJIMGWMZSA-N 2 0 371.294 3.449 20 0 FGADRP C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+]CCC1CC[NH2+]CC1 ZINC000650764431 718725009 /nfs/dbraw/zinc/72/50/09/718725009.db2.gz YIVOEAYYYXHBNS-ZDUSSCGKSA-N 2 0 368.319 3.146 20 0 FGADRP C[C@@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+]CCC1CC[NH2+]CC1 ZINC000650764015 718725019 /nfs/dbraw/zinc/72/50/19/718725019.db2.gz OKKMTRVKHSYTGB-ZDUSSCGKSA-N 2 0 357.420 3.402 20 0 FGADRP CC[N@H+](CCCNC(=O)NCCC1CC[NH+](C)CC1)C1CCCCC1 ZINC000650841262 718734143 /nfs/dbraw/zinc/73/41/43/718734143.db2.gz JKNUSRFPTXYMRV-UHFFFAOYSA-N 2 0 352.567 3.062 20 0 FGADRP CC[N@H+](CCCNC(=O)N(C)[C@@H]1CC[NH+](C)C[C@@H]1C)C1CCCCC1 ZINC000651220060 718784396 /nfs/dbraw/zinc/78/43/96/718784396.db2.gz QXDLJMSQWGPWSE-PKOBYXMFSA-N 2 0 352.567 3.013 20 0 FGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H]2CCc3ccc(F)c(Cl)c32)CC1 ZINC000651705339 718853262 /nfs/dbraw/zinc/85/32/62/718853262.db2.gz PJVKVXWEUVXDBU-PBHICJAKSA-N 2 0 353.913 3.330 20 0 FGADRP CC[C@H]([NH2+]CC1CC[NH+](CC)CC1)c1cc(OC)c(OC)c(OC)c1 ZINC000652149166 718917278 /nfs/dbraw/zinc/91/72/78/718917278.db2.gz UWEFZMDBOFOPCR-KRWDZBQOSA-N 2 0 350.503 3.485 20 0 FGADRP CC[N@H+](CCCN[C@H](C)c1cccc(S(N)(=O)=O)c1)C1CCCCC1 ZINC000652237805 718925649 /nfs/dbraw/zinc/92/56/49/718925649.db2.gz FPOKYPIVARAGFH-MRXNPFEDSA-N 2 0 367.559 3.029 20 0 FGADRP Cc1oc(-c2cccs2)nc1C[N@@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652347147 718934755 /nfs/dbraw/zinc/93/47/55/718934755.db2.gz STRSJUAKJAHHOF-ZMSDIMECSA-N 2 0 361.511 3.430 20 0 FGADRP C[C@@H]1CCC[N@H+](CCC(=O)Nc2ccc(Br)cc2)[C@H]1CC[NH3+] ZINC000652354267 718935714 /nfs/dbraw/zinc/93/57/14/718935714.db2.gz RJBVKJLBEQMULB-CJNGLKHVSA-N 2 0 368.319 3.227 20 0 FGADRP [NH3+]CC1CCN(C(=O)Nc2ccc(SCC[NH+]3CCCC3)cc2)CC1 ZINC000652613293 718966037 /nfs/dbraw/zinc/96/60/37/718966037.db2.gz PUDFLESBPZXGMU-UHFFFAOYSA-N 2 0 362.543 3.077 20 0 FGADRP [NH3+][C@H]1CCC[C@H](NC(=O)Nc2ccc(SCC[NH+]3CCCC3)cc2)C1 ZINC000652613943 718966476 /nfs/dbraw/zinc/96/64/76/718966476.db2.gz ILHWAPPPGFFVGI-RDJZCZTQSA-N 2 0 362.543 3.266 20 0 FGADRP Oc1cccc(C[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)c1Br ZINC000656782975 719470256 /nfs/dbraw/zinc/47/02/56/719470256.db2.gz KMZPTQSCEQFAAJ-CQSZACIVSA-N 2 0 353.304 3.366 20 0 FGADRP C[NH+](C)CCOc1ccc(CC[NH2+]Cc2ccc(F)c(F)c2F)cc1 ZINC000657351113 719631315 /nfs/dbraw/zinc/63/13/15/719631315.db2.gz KVKYVBKCDFWPJK-UHFFFAOYSA-N 2 0 352.400 3.377 20 0 FGADRP C[C@@H]([NH2+]CCCN1CC[NH+](Cc2ccccc2)CC1)C(C)(C)C(F)F ZINC000657836261 719719726 /nfs/dbraw/zinc/71/97/26/719719726.db2.gz UCJZWGGMJWSDGW-QGZVFWFLSA-N 2 0 353.501 3.464 20 0 FGADRP CC(C)[C@@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1cc(F)cc(Br)c1 ZINC000657888206 719725314 /nfs/dbraw/zinc/72/53/14/719725314.db2.gz PIMSBSQUHZLWCV-MRXNPFEDSA-N 2 0 373.310 3.332 20 0 FGADRP COc1cc([C@H](C)[NH2+]CC2CC[NH+](C3CCOCC3)CC2)ccc1F ZINC000658067967 719750987 /nfs/dbraw/zinc/75/09/87/719750987.db2.gz SZZMEHILMJVBLI-HNNXBMFYSA-N 2 0 350.478 3.376 20 0 FGADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]CC(C)(C)[C@@]2(O)CCCOC2)CC1 ZINC000658308249 719783554 /nfs/dbraw/zinc/78/35/54/719783554.db2.gz CVVXDHWYALHUAN-SLYNCCJLSA-N 2 0 352.563 3.187 20 0 FGADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC1(O)CCC(F)(F)CC1 ZINC000658322422 719785891 /nfs/dbraw/zinc/78/58/91/719785891.db2.gz GWUPQIRRKCEHTK-FUHWJXTLSA-N 2 0 352.469 3.427 20 0 FGADRP C[N@H+](CC1CC[NH+](C)CC1)C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000782184007 724635130 /nfs/dbraw/zinc/63/51/30/724635130.db2.gz PQPDLCWIAXLQGT-JWTNVVGKSA-N 2 0 351.535 3.191 20 0 FGADRP COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1[nH+]c(C)cc3[nH]ccc31)C2 ZINC001164815407 720125705 /nfs/dbraw/zinc/12/57/05/720125705.db2.gz VJBLTGPAHCKLAL-UTKZUKDTSA-N 2 0 354.498 3.056 20 0 FGADRP C[NH+](C)[C@@H](CNC(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C)c1ccc(Cl)cc1 ZINC000661404271 720243248 /nfs/dbraw/zinc/24/32/48/720243248.db2.gz VZSIHZBZVOVMLG-IRXDYDNUSA-N 2 0 366.937 3.115 20 0 FGADRP CC(C)[N@@H+](Cc1cc(Br)ccc1F)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662250220 720405277 /nfs/dbraw/zinc/40/52/77/720405277.db2.gz AZCSDZQXIIYZLG-OAHLLOKOSA-N 2 0 371.294 3.320 20 0 FGADRP Brc1cccc([C@@H]2CCC[N@@H+]2C[C@@H]2CCC3(C[NH2+]C3)O2)c1 ZINC000662252655 720405352 /nfs/dbraw/zinc/40/53/52/720405352.db2.gz QHKSNYUMLKVXDE-HOTGVXAUSA-N 2 0 351.288 3.107 20 0 FGADRP C[C@@H](C(=O)Nc1cc(F)ccc1F)[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662294655 720410971 /nfs/dbraw/zinc/41/09/71/720410971.db2.gz DJYTYPMIIVOOSN-DZGCQCFKSA-N 2 0 351.441 3.003 20 0 FGADRP C[C@H](C(=O)Nc1ccc(F)cc1F)[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662296472 720411623 /nfs/dbraw/zinc/41/16/23/720411623.db2.gz KYBZGSMCXYKUOV-UKRRQHHQSA-N 2 0 351.441 3.003 20 0 FGADRP C[NH+](C)C[C@H](NC(=O)c1cc2c(s1)CC[NH2+]C2)c1ccc(Cl)cc1 ZINC000662529891 720438950 /nfs/dbraw/zinc/43/89/50/720438950.db2.gz FJGDVSPVKONOFS-HNNXBMFYSA-N 2 0 363.914 3.080 20 0 FGADRP O=C(NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)C1([NH2+]C2CC2)CCC1 ZINC000662670597 720451469 /nfs/dbraw/zinc/45/14/69/720451469.db2.gz XJZPJKBQKDXSMQ-UHFFFAOYSA-N 2 0 361.917 3.095 20 0 FGADRP CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)C1 ZINC000663450623 720516005 /nfs/dbraw/zinc/51/60/05/720516005.db2.gz KGEHIUPHVINNFJ-HZPDHXFCSA-N 2 0 364.559 3.057 20 0 FGADRP CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000663452501 720516611 /nfs/dbraw/zinc/51/66/11/720516611.db2.gz ZKICJIRBHGCYOU-JKSUJKDBSA-N 2 0 364.559 3.057 20 0 FGADRP C[NH2+]CCCC(=O)N1CCC([NH2+]Cc2ccc(Cl)cc2Cl)CC1 ZINC000663503535 720520369 /nfs/dbraw/zinc/52/03/69/720520369.db2.gz OOBHANDQORUSSO-UHFFFAOYSA-N 2 0 358.313 3.074 20 0 FGADRP CCOc1cc(C[NH2+][C@@H]2CC23CC[NH2+]CC3)ccc1OCC(F)(F)F ZINC000666954015 721005321 /nfs/dbraw/zinc/00/53/21/721005321.db2.gz NNSUUQZXZBOVLI-MRXNPFEDSA-N 2 0 358.404 3.258 20 0 FGADRP CSc1ccc([C@@H](CNC(=O)Nc2cccc(C[NH3+])c2)[NH+](C)C)cc1 ZINC000667733576 721165759 /nfs/dbraw/zinc/16/57/59/721165759.db2.gz JMQRTKBANZCQPM-GOSISDBHSA-N 2 0 358.511 3.292 20 0 FGADRP [NH3+][C@@H]1CCC[C@H](NC(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)C1 ZINC000668678495 721329484 /nfs/dbraw/zinc/32/94/84/721329484.db2.gz YNKPELRZOVPIPK-RVKKMQEKSA-N 2 0 364.921 3.046 20 0 FGADRP Cc1c[nH+]c(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)cc1N ZINC001165022134 721822239 /nfs/dbraw/zinc/82/22/39/721822239.db2.gz GKOUHFOQEHMVJC-QRFRQXIXSA-N 2 0 351.498 3.104 20 0 FGADRP C[C@H](C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)Oc1cccc(Br)c1 ZINC000677241230 721875946 /nfs/dbraw/zinc/87/59/46/721875946.db2.gz NUFCYBLATDCCIN-KBMXLJTQSA-N 2 0 353.304 3.433 20 0 FGADRP C[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCCC[NH+]2C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000677842946 721918943 /nfs/dbraw/zinc/91/89/43/721918943.db2.gz OLUSBPSTPITZJG-QGTPRVQTSA-N 2 0 367.896 3.072 20 0 FGADRP CCOc1cc[nH+]c(N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)c1 ZINC001164951733 722017160 /nfs/dbraw/zinc/01/71/60/722017160.db2.gz CWFBCRCAWWZXTG-UHFFFAOYSA-N 2 0 352.482 3.368 20 0 FGADRP C[C@@H]([NH2+][C@H](CCO)c1ccccc1Br)C1CC[NH+](C)CC1 ZINC000679773011 722047640 /nfs/dbraw/zinc/04/76/40/722047640.db2.gz QFBDQVJAHHKPPS-CXAGYDPISA-N 2 0 355.320 3.193 20 0 FGADRP C[C@H]([NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)OC(C)(C)C)C2)C1CC[NH+](C)CC1 ZINC000709489494 722413101 /nfs/dbraw/zinc/41/31/01/722413101.db2.gz ZNPWOIFNKICCEU-ONIAQPFYSA-N 2 0 351.535 3.094 20 0 FGADRP C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CC[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000721140148 722419679 /nfs/dbraw/zinc/41/96/79/722419679.db2.gz OOURFCFUTSIVBM-TVFCKZIOSA-N 2 0 351.535 3.096 20 0 FGADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=S)NCC(C)(C)C[NH+](C)C ZINC000727282547 722443176 /nfs/dbraw/zinc/44/31/76/722443176.db2.gz AZRNJAFRGIORRR-UHFFFAOYSA-N 2 0 364.603 3.032 20 0 FGADRP C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=S)NCC(C)(C)C[NH+](C)C)C1 ZINC000733753329 722500620 /nfs/dbraw/zinc/50/06/20/722500620.db2.gz KNPSNQFALQEVMJ-ZWKOTPCHSA-N 2 0 368.635 3.035 20 0 FGADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H](O)Cc2ccc(C(F)(F)F)cc2)[C@H](C)C1 ZINC000749347364 722725573 /nfs/dbraw/zinc/72/55/73/722725573.db2.gz WLGJOOYLFONFRS-OLMNPRSZSA-N 2 0 358.448 3.271 20 0 FGADRP Cc1cc(C[NH2+]CC2(O)CC[NH+](C(C)C)CC2)cc(C)c1OC(F)F ZINC000760704352 723084068 /nfs/dbraw/zinc/08/40/68/723084068.db2.gz VZDSAUOOJBENEQ-UHFFFAOYSA-N 2 0 356.457 3.230 20 0 FGADRP CN(C[C@H]1CCC[N@H+](CC[C@@H]2CCCC[NH+]2C)C1)C(=O)OC(C)(C)C ZINC000760832268 723096431 /nfs/dbraw/zinc/09/64/31/723096431.db2.gz WXLIGPPMHBPHRW-MSOLQXFVSA-N 2 0 353.551 3.440 20 0 FGADRP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000765024677 723470931 /nfs/dbraw/zinc/47/09/31/723470931.db2.gz GYSGTXAORAWBNR-XLIONFOSSA-N 2 0 351.535 3.194 20 0 FGADRP CC(C)(C)[NH+]1CCC([NH2+]C[C@H](O)c2ccc(OC(F)(F)F)cc2)CC1 ZINC000765505175 723518278 /nfs/dbraw/zinc/51/82/78/723518278.db2.gz UMKSHZPMFYNLHD-INIZCTEOSA-N 2 0 360.420 3.471 20 0 FGADRP CC(C)[NH2+]C1CC[NH+](CC[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000801932305 724347718 /nfs/dbraw/zinc/34/77/18/724347718.db2.gz KDKGDOSKCMSQCG-KRWDZBQOSA-N 2 0 353.551 3.486 20 0 FGADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1C[C@@H]2CCC[C@H](NC(=O)OC(C)(C)C)[C@@H]2C1 ZINC000784510063 724859873 /nfs/dbraw/zinc/85/98/73/724859873.db2.gz JIFAVBLTEUCOLC-MLHJIOFPSA-N 2 0 351.535 3.096 20 0 FGADRP C[NH+](C)CCOc1ccc(CC[NH2+][C@@H]2CCc3nc(Cl)ccc32)cc1 ZINC000806137585 725117574 /nfs/dbraw/zinc/11/75/74/725117574.db2.gz LKDJAUSFEHLEDD-GOSISDBHSA-N 2 0 359.901 3.495 20 0 FGADRP C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1[NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000812720387 726806674 /nfs/dbraw/zinc/80/66/74/726806674.db2.gz FAOIPAFPKQAFIT-BDXSIMOUSA-N 2 0 353.551 3.484 20 0 FGADRP C[C@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1[NH2+]C1CCC([NH+](C)C)CC1 ZINC000817414059 727248980 /nfs/dbraw/zinc/24/89/80/727248980.db2.gz QTHHKHLWZKAEHC-FCCDEINASA-N 2 0 353.551 3.484 20 0 FGADRP C[NH+](C)C1CCC([NH2+]Cc2ccccc2I)CC1 ZINC000817416163 727249350 /nfs/dbraw/zinc/24/93/50/727249350.db2.gz NJJVZDDCUCKNAN-UHFFFAOYSA-N 2 0 358.267 3.254 20 0 FGADRP CCOC(=O)C1([C@@H](C)[NH2+][C@@H](C)c2nc3ccccc3s2)CC[NH2+]CC1 ZINC000817894680 727287280 /nfs/dbraw/zinc/28/72/80/727287280.db2.gz PNSHEFSOJQZAJS-UONOGXRCSA-N 2 0 361.511 3.268 20 0 FGADRP O[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)c1ccccc1Br ZINC000817934607 727288733 /nfs/dbraw/zinc/28/87/33/727288733.db2.gz IZODGSNIBYIDMF-VDHUWJSZSA-N 2 0 367.331 3.383 20 0 FGADRP O[C@H](C[NH2+]C1CC[NH+](CC2CC2)CC1)c1ccc(F)c(Br)c1 ZINC000818967367 727332023 /nfs/dbraw/zinc/33/20/23/727332023.db2.gz UHAPXRGFIHNCFI-QGZVFWFLSA-N 2 0 371.294 3.086 20 0 FGADRP O[C@@H](C[NH2+]C1CCC([NH+]2CCCCC2)CC1)COc1ccc(Cl)cc1 ZINC000819142032 727351874 /nfs/dbraw/zinc/35/18/74/727351874.db2.gz MEWSKUNJEJQQMC-ACBHZAAOSA-N 2 0 366.933 3.466 20 0 FGADRP O[C@H](C[NH2+]C1CC(N2CCC(C(F)(F)F)CC2)C1)c1ccccc1F ZINC000819275009 727363450 /nfs/dbraw/zinc/36/34/50/727363450.db2.gz LDTOMUKLAXFPNZ-MQBCKMQZSA-N 2 0 360.395 3.254 20 0 FGADRP C[N@@H+]1CCC[C@@H](CC[NH2+]C[C@](C)(O)c2ccc(Br)cc2F)C1 ZINC000819366071 727371261 /nfs/dbraw/zinc/37/12/61/727371261.db2.gz ICHAOCVJNGPZNZ-GUYCJALGSA-N 2 0 373.310 3.117 20 0 FGADRP CC(C)[NH+]1CCC([NH2+]C[C@H]2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)CC1 ZINC000823614388 729292555 /nfs/dbraw/zinc/29/25/55/729292555.db2.gz PVAOTZOVAARBRM-IRXDYDNUSA-N 2 0 353.551 3.484 20 0 FGADRP C[C@H](C[NH2+]C[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1)C[NH+]1CCCC1 ZINC000823671426 729297611 /nfs/dbraw/zinc/29/76/11/729297611.db2.gz OFTAQWJXMFOEQR-SQNIBIBYSA-N 2 0 353.551 3.344 20 0 FGADRP Cc1ccc(NC(=O)C[C@@H]([NH3+])c2cc(C)nc(Cl)c2)c(C[NH+](C)C)c1 ZINC000829612334 729495445 /nfs/dbraw/zinc/49/54/45/729495445.db2.gz GPIREORIJKXVFE-MRXNPFEDSA-N 2 0 360.889 3.442 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)NCCCCCC[NH3+])CC1 ZINC000831267005 729629095 /nfs/dbraw/zinc/62/90/95/729629095.db2.gz GWEHQVUZURVBSI-GOSISDBHSA-N 2 0 352.567 3.192 20 0 FGADRP C[N@@H+]1CC[C@@H](CNC(=O)CCCCC[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000831481856 729645357 /nfs/dbraw/zinc/64/53/57/729645357.db2.gz WBMPCLJDMHPQCM-KBXCAEBGSA-N 2 0 355.885 3.107 20 0 FGADRP CC[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000834513354 729808853 /nfs/dbraw/zinc/80/88/53/729808853.db2.gz KYBYIXLCGXZHLA-ZJPYXAASSA-N 2 0 351.535 3.381 20 0 FGADRP C[C@@H]([NH2+]CC1CC[NH+](C2CC2)CC1)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000834787281 729834276 /nfs/dbraw/zinc/83/42/76/729834276.db2.gz JTYUOXUVSHIYBU-QAPCUYQASA-N 2 0 351.535 3.238 20 0 FGADRP Cc1nn(C)c2nc(Cl)c(C[NH2+][C@H](CCC[NH3+])c3ccccc3)cc12 ZINC000841086122 730209216 /nfs/dbraw/zinc/20/92/16/730209216.db2.gz DATZVMUMMSOTRX-QGZVFWFLSA-N 2 0 357.889 3.500 20 0 FGADRP CC(C)n1ncc2cc(C[NH+]3CCC([C@@H]4CC[NH2+]C4)CC3)c(Cl)nc21 ZINC000843127078 730589078 /nfs/dbraw/zinc/58/90/78/730589078.db2.gz OIJIMINLZVAEGD-OAHLLOKOSA-N 2 0 361.921 3.487 20 0 FGADRP CC(C)(C)OC(=O)N1CCC2(CC1)CC[NH+](C[C@]1(C)CC[NH2+]C1)CC2 ZINC000843127528 730589275 /nfs/dbraw/zinc/58/92/75/730589275.db2.gz DPFCLXXNIXRUMK-LJQANCHMSA-N 2 0 351.535 3.099 20 0 FGADRP C[N@H+](CC(=O)N[C@H](c1cccs1)c1ccccc1)C1CCC([NH3+])CC1 ZINC000843354198 730609991 /nfs/dbraw/zinc/60/99/91/730609991.db2.gz XOVVFWGMXNNSFX-UHYCVJNDSA-N 2 0 357.523 3.155 20 0 FGADRP CCC[NH+]1CCN(c2ccc(NC(=O)[C@@H]([NH3+])C(C)(C)C)cc2Cl)CC1 ZINC000844190676 730691324 /nfs/dbraw/zinc/69/13/24/730691324.db2.gz PBKAEAYNZMVXOB-QGZVFWFLSA-N 2 0 366.937 3.184 20 0 FGADRP CC(C)(C)OC(=O)NCCC1CC[NH+](CCC[NH+]2CCCCC2)CC1 ZINC000844442710 730719504 /nfs/dbraw/zinc/71/95/04/730719504.db2.gz DSJQHVHFRGXFKI-UHFFFAOYSA-N 2 0 353.551 3.489 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000849108038 731230130 /nfs/dbraw/zinc/23/01/30/731230130.db2.gz VDAMUGVWBCNRDT-XJKSGUPXSA-N 2 0 356.436 3.407 20 0 FGADRP CC(C)(C)OC(=O)NC1(C[NH2+]C2CC[NH+](CC3CC3)CC2)CCCC1 ZINC000849351180 731251406 /nfs/dbraw/zinc/25/14/06/731251406.db2.gz UNGBVJNNRNLJJR-UHFFFAOYSA-N 2 0 351.535 3.288 20 0 FGADRP C[C@@H]1CCC[N@H+](Cc2ccc(S(=O)(=O)C(F)F)cc2)[C@@H]1CCC[NH3+] ZINC000852759425 731631106 /nfs/dbraw/zinc/63/11/06/731631106.db2.gz OEGQPWSBQQSLNK-CZUORRHYSA-N 2 0 360.470 3.022 20 0 FGADRP CC[N@H+](C)Cc1cc(O[C@H]2CC[NH+](C[C@@H]3CC3(Cl)Cl)C2)ccn1 ZINC000856596161 732040197 /nfs/dbraw/zinc/04/01/97/732040197.db2.gz SFCWZSOCHOMEGQ-BBRMVZONSA-N 2 0 358.313 3.180 20 0 FGADRP C[C@H]([NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C12CCC2)C1CC[NH+](C)CC1 ZINC000858474591 732218693 /nfs/dbraw/zinc/21/86/93/732218693.db2.gz BQHRERRSPWXOAC-RDJZCZTQSA-N 2 0 351.535 3.238 20 0 FGADRP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)C23CCC3)[C@H](C)C1 ZINC000858477031 732218988 /nfs/dbraw/zinc/21/89/88/732218988.db2.gz TULQIKXTZHQPEN-IXDOHACOSA-N 2 0 351.535 3.238 20 0 FGADRP C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)CN1C(=O)OC(C)(C)C ZINC000858532289 732224610 /nfs/dbraw/zinc/22/46/10/732224610.db2.gz LZXNBDHODGPBKT-CWQOZTLDSA-N 2 0 351.535 3.237 20 0 FGADRP C[C@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)c1cc2c(ccnc2Cl)o1 ZINC000866226338 733326484 /nfs/dbraw/zinc/32/64/84/733326484.db2.gz IXEQWSSTVLYLHU-ZDUSSCGKSA-N 2 0 350.894 3.158 20 0 FGADRP C[C@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1cc2c(ccnc2Cl)o1 ZINC000866227758 733327009 /nfs/dbraw/zinc/32/70/09/733327009.db2.gz FTCCDKJPMJISSA-ZDUSSCGKSA-N 2 0 350.894 3.158 20 0 FGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCC2CC[NH+](C(C)C)CC2)[C@H](C)C1 ZINC000866467809 733354104 /nfs/dbraw/zinc/35/41/04/733354104.db2.gz QVJBHBBNAOUYNV-TZIWHRDSSA-N 3 0 353.595 3.224 20 0 FGADRP CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+]C2CCC(C)([NH+](C)C)CC2)cc1 ZINC000866515619 733359069 /nfs/dbraw/zinc/35/90/69/733359069.db2.gz DVRSLZIAITYOIM-LSJNQWAISA-N 2 0 367.559 3.362 20 0 FGADRP CCC1([NH+](C)C)CCN(C(=O)NCCC2CC[NH+](C(C)C)CC2)CC1 ZINC000868947801 733667103 /nfs/dbraw/zinc/66/71/03/733667103.db2.gz MLXNNTCLJXOPNQ-UHFFFAOYSA-N 2 0 352.567 3.013 20 0 FGADRP CCOC(=O)c1ncc(C[N@@H+]2CCC[C@H](C[C@@H]([NH3+])C3CCCC3)C2)s1 ZINC000872156359 735597259 /nfs/dbraw/zinc/59/72/59/735597259.db2.gz ILZFMDARAHGPPG-RHSMWYFYSA-N 2 0 365.543 3.439 20 0 FGADRP O=C(CC1CC[NH+](Cc2cc3c(s2)CC[NH2+]C3)CC1)NC1CCCC1 ZINC000873203531 735737334 /nfs/dbraw/zinc/73/73/34/735737334.db2.gz HMJVDPHKQXTVEF-UHFFFAOYSA-N 2 0 361.555 3.055 20 0 FGADRP C[C@H]([NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2)c1ccc(F)cc1OC(F)F ZINC000873292598 735747176 /nfs/dbraw/zinc/74/71/76/735747176.db2.gz UQJBHXDYJLFPMZ-GXTWGEPZSA-N 2 0 358.404 3.236 20 0 FGADRP Brc1ccc2c(c1)[C@H]([NH2+]C[C@H]1CC3(CO1)CC[NH2+]CC3)CC2 ZINC000873293753 735747522 /nfs/dbraw/zinc/74/75/22/735747522.db2.gz PASKDTZOBVEKEO-NVXWUHKLSA-N 2 0 365.315 3.185 20 0 FGADRP Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000876743754 736139318 /nfs/dbraw/zinc/13/93/18/736139318.db2.gz LPLSCCJPNUJVGV-QUCCMNQESA-N 2 0 359.539 3.015 20 0 FGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+]Cc2cc3nc(Cl)ccc3s2)CC1 ZINC000877017638 736175441 /nfs/dbraw/zinc/17/54/41/736175441.db2.gz VMBREPCENCJYAR-CQSZACIVSA-N 2 0 366.962 3.313 20 0 FGADRP C[N@@H+]1CCC[C@H](CC[NH2+][C@H]2C[C@H]3C[C@@H](C2)N(C(=O)OC(C)(C)C)C3)C1 ZINC000877584489 736688271 /nfs/dbraw/zinc/68/82/71/736688271.db2.gz GFXIWMUYEVIQRJ-OWSLCNJRSA-N 2 0 351.535 3.096 20 0 FGADRP COC(=O)c1ccc(C[NH2+]CC[C@H]2CCC[N@H+](C)C2)cc1Br ZINC000877584070 736688461 /nfs/dbraw/zinc/68/84/61/736688461.db2.gz BXFZWFBTHRJNFF-CYBMUJFWSA-N 2 0 369.303 3.057 20 0 FGADRP Clc1nccc2oc(C[NH2+]CC3CC[NH+](C4CCOCC4)CC3)cc21 ZINC000877620022 736694756 /nfs/dbraw/zinc/69/47/56/736694756.db2.gz BOFQJXAUGZUKMO-UHFFFAOYSA-N 2 0 363.889 3.462 20 0 FGADRP CCOC(=O)c1csc(C[N@H+](CC(C)C)CC2CC[NH+](C)CC2)n1 ZINC000879703617 737035408 /nfs/dbraw/zinc/03/54/08/737035408.db2.gz QJBQNLHYGVBUHY-UHFFFAOYSA-N 2 0 353.532 3.120 20 0 FGADRP C[NH+](C)[C@H](CNC(=O)[C@H](N)c1ccccc1C(F)(F)F)c1cccs1 ZINC000884177702 737640934 /nfs/dbraw/zinc/64/09/34/737640934.db2.gz QOCMZSJKIIDKGR-UKRRQHHQSA-N 2 0 371.428 3.186 20 0 FGADRP CC1([NH+]2CCCC2)CCC([NH2+]CCn2cc(Br)cn2)CC1 ZINC000886608567 739274645 /nfs/dbraw/zinc/27/46/45/739274645.db2.gz BIFQGVGSNOKKCV-UHFFFAOYSA-N 2 0 355.324 3.032 20 0 FGADRP CCC1([NH3+])CCN(C(=O)NC[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)CC1 ZINC000891596467 739919402 /nfs/dbraw/zinc/91/94/02/739919402.db2.gz CGRKYKXJEGOWFA-DOTOQJQBSA-N 2 0 364.559 3.044 20 0 FGADRP CCC1([NH3+])CCN(C(=O)NC[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)CC1 ZINC000891596468 739919486 /nfs/dbraw/zinc/91/94/86/739919486.db2.gz CGRKYKXJEGOWFA-NVXWUHKLSA-N 2 0 364.559 3.044 20 0 FGADRP C[C@H]([NH3+])c1ccc(CNC(=O)N(CC[NH3+])Cc2cccc(Cl)c2)cc1 ZINC000892045618 739961120 /nfs/dbraw/zinc/96/11/20/739961120.db2.gz UKAHRRKKZCYSHX-AWEZNQCLSA-N 2 0 360.889 3.030 20 0 FGADRP F[C@H]1CC2(CC[C@H]1[NH+]1CCC(CCC[NH+]3CCCC3)CC1)OCCO2 ZINC000892144339 739970007 /nfs/dbraw/zinc/97/00/07/739970007.db2.gz NGOAGTHJLYJWJT-RBUKOAKNSA-N 2 0 354.510 3.208 20 0 FGADRP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]CC2CC[NH+](CC)CC2)C[C@H]1C(F)(F)F ZINC000892939675 740060652 /nfs/dbraw/zinc/06/06/52/740060652.db2.gz UPWHJCBNSVNGNU-BZUAXINKSA-N 2 0 364.452 3.218 20 0 FGADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@H]([NH+](C)C)C2)C[C@@H]1C(F)(F)F ZINC000893094412 742109018 /nfs/dbraw/zinc/10/90/18/742109018.db2.gz JQTMHSPNFHGMFD-CWVYHPPDSA-N 2 0 364.452 3.359 20 0 FGADRP CN1CC[C@@H](C[NH2+]CC2CC[NH+](C)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000893271811 742133357 /nfs/dbraw/zinc/13/33/57/742133357.db2.gz BSOGGDBIMTVTHI-LPHOPBHVSA-N 2 0 353.913 3.403 20 0 FGADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H](CC(F)F)NC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000894050851 742232002 /nfs/dbraw/zinc/23/20/02/742232002.db2.gz VAMTVIBATGAGTH-KFWWJZLASA-N 2 0 363.493 3.197 20 0 FGADRP Cn1nc2c(c1C[NH+]1CCC(CCC[NH+]3CCCC3)CC1)CSCC2 ZINC000894070556 742234234 /nfs/dbraw/zinc/23/42/34/742234234.db2.gz CRIFVFIQIGITRO-UHFFFAOYSA-N 2 0 362.587 3.297 20 0 FGADRP CSc1ccccc1OC[C@H](O)C[N@H+](CC1CC[NH+](C)CC1)C(C)C ZINC000894912916 742352420 /nfs/dbraw/zinc/35/24/20/742352420.db2.gz JWXSILWGIPMDTI-GOSISDBHSA-N 2 0 366.571 3.200 20 0 FGADRP CC(C)(C)OC(=O)N1CCC(C[NH+]2CCC([NH2+]C3CCC3)CC2)CC1 ZINC000897981173 742730240 /nfs/dbraw/zinc/73/02/40/742730240.db2.gz JFFHFRGYHSGIHS-UHFFFAOYSA-N 2 0 351.535 3.240 20 0 FGADRP Cn1c(C[NH2+][C@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)cnc1Cl ZINC000898519319 742804436 /nfs/dbraw/zinc/80/44/36/742804436.db2.gz ORQFZNSFYFWLFD-SQNIBIBYSA-N 2 0 358.917 3.464 20 0 FGADRP COCC1(C[NH2+][C@@H](CCCC[NH3+])c2ccc(F)cc2F)CCOCC1 ZINC000902389409 743740052 /nfs/dbraw/zinc/74/00/52/743740052.db2.gz UHUJRDULYVDTFD-SFHVURJKSA-N 2 0 356.457 3.168 20 0 FGADRP C[C@H](C[NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1)c1ccc(Br)cc1 ZINC000902428570 743742569 /nfs/dbraw/zinc/74/25/69/743742569.db2.gz FSIGKJXTSYOSAF-NKGKWGDASA-N 2 0 367.331 3.299 20 0 FGADRP CSc1ccc(Br)cc1CC[NH2+][C@@H]1CCOC[C@@H]1[C@@H](C)[NH3+] ZINC000902428956 743742713 /nfs/dbraw/zinc/74/27/13/743742713.db2.gz IPSOWEPRPUIENN-KCPJHIHWSA-N 2 0 373.360 3.055 20 0 FGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H](C)c2ccc(C(F)(F)F)cn2)CC1 ZINC000902791331 743775800 /nfs/dbraw/zinc/77/58/00/743775800.db2.gz UMLQLXORSZMLOR-CABCVRRESA-N 2 0 358.452 3.025 20 0 FGADRP Cc1cccc(C[NH+]2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)c1Br ZINC000903761573 743881567 /nfs/dbraw/zinc/88/15/67/743881567.db2.gz WICYGNQTJNNFIP-DLBZAZTESA-N 2 0 367.331 3.476 20 0 FGADRP C[C@H](C(=O)N1CCC[C@@H]1c1cccs1)[NH+]1CCC(C(C)(C)C[NH3+])CC1 ZINC000903790658 743884313 /nfs/dbraw/zinc/88/43/13/743884313.db2.gz ULFLIFSJDLHKGG-NVXWUHKLSA-N 2 0 363.571 3.497 20 0 FGADRP CC(C)(C)OC(=O)N1C[C@H]2CC[C@@H]([NH2+]C[C@@]3(C)CCC[NH2+]C3)C[C@@H]2C1 ZINC000904372090 743949918 /nfs/dbraw/zinc/94/99/18/743949918.db2.gz YIDQXEBIVDIDCJ-VIPLHTEESA-N 2 0 351.535 3.001 20 0 FGADRP CC1CC[NH+](C2CCC([NH2+]C[C@H](O)CC3(O)CCCCC3)CC2)CC1 ZINC000905179227 743998485 /nfs/dbraw/zinc/99/84/85/743998485.db2.gz IMWLXNZBFQQLDI-SOAGJPPSSA-N 2 0 352.563 3.065 20 0 FGADRP C[N@@H+]1CCC[C@@H]1CSc1nnc(CN2CCCC2)n1-c1ccccc1 ZINC000915507229 757942200 /nfs/dbraw/zinc/94/22/00/757942200.db2.gz DNFWGXPKXHYINY-QGZVFWFLSA-N 2 0 357.527 3.049 20 0 FGADRP CSC1(C[NH2+][C@H]2CC[C@H](CNC(=O)OC(C)(C)C)C2)CC[NH+](C)CC1 ZINC000922138022 758857538 /nfs/dbraw/zinc/85/75/38/758857538.db2.gz GGVZGEIGIZIOOB-HOTGVXAUSA-N 2 0 371.591 3.097 20 0 FGADRP CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1cc(Cl)cc(Cl)c1N)C2 ZINC000922391537 758911321 /nfs/dbraw/zinc/91/13/21/758911321.db2.gz WIYVYWQAORYLRH-LMSBXDPUSA-N 2 0 372.340 3.145 20 0 FGADRP CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3ncc(C(C)(C)C)s3)C2)[C@@H]1C(C)C ZINC000922392353 758912712 /nfs/dbraw/zinc/91/27/12/758912712.db2.gz DCBKLCQZQBCAEQ-OHRYMORCSA-N 2 0 365.587 3.400 20 0 FGADRP CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]Cc3cnc(Cl)c(C)c3)C2)[C@H]1C(C)C ZINC000922393607 758912755 /nfs/dbraw/zinc/91/27/55/758912755.db2.gz MLGTYMRYLFNWBA-YWTNHNAXSA-N 2 0 351.922 3.003 20 0 FGADRP Cc1nn(C)c2nc(Cl)c(C[NH2+]C3CCC(C)([NH+]4CCC4)CC3)cc12 ZINC000922848502 759014845 /nfs/dbraw/zinc/01/48/45/759014845.db2.gz UYJZIFSNLZVBFZ-UHFFFAOYSA-N 2 0 361.921 3.427 20 0 FGADRP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C[C@H](O)COc1c(Cl)cccc1Cl ZINC000923329726 759101534 /nfs/dbraw/zinc/10/15/34/759101534.db2.gz NUBVSOHOODQWSP-GSPSYOTPSA-N 2 0 359.297 3.077 20 0 FGADRP Cc1nc(C[NH+]2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)sc1C(C)(C)C ZINC000923374868 759108218 /nfs/dbraw/zinc/10/82/18/759108218.db2.gz FBQZLKCWZVFZOH-DOTOQJQBSA-N 2 0 351.560 3.467 20 0 FGADRP COC(=O)c1cccc(-c2nc(C[N@@H+]3CC[C@H](C[NH3+])[C@H](C)C3)cs2)c1 ZINC000923499503 759132437 /nfs/dbraw/zinc/13/24/37/759132437.db2.gz RQXMHXHEACRJGW-CZUORRHYSA-N 2 0 359.495 3.013 20 0 FGADRP C[N@@H+]1CCC[C@@H](C[NH2+]C2CC3(C2)CCN(C(=O)OC(C)(C)C)CC3)C1 ZINC000925012941 759431567 /nfs/dbraw/zinc/43/15/67/759431567.db2.gz XZHOPQKFRUWQBH-INIZCTEOSA-N 2 0 351.535 3.098 20 0 FGADRP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+]C2CCN(Cc3ccc(F)c(F)c3)CC2)C1 ZINC000925475510 759494265 /nfs/dbraw/zinc/49/42/65/759494265.db2.gz UUKFPVKRCXWHIM-DOTOQJQBSA-N 2 0 351.485 3.425 20 0 FGADRP C[C@@H]1[C@H]2CC[C@@H](C[C@H]1[NH2+][C@@H]1CCN(c3ccc(Br)cc3)C1)[NH2+]2 ZINC000925476290 759494562 /nfs/dbraw/zinc/49/45/62/759494562.db2.gz HIWITYGNVXSWAA-BPSIQINWSA-N 2 0 364.331 3.146 20 0 FGADRP C[N@@H+]1CC[C@H](CN[C@H]2CC[NH2+]C23CCC3)[C@H]1c1ccc(Cl)c(F)c1 ZINC000925628675 759514848 /nfs/dbraw/zinc/51/48/48/759514848.db2.gz GUDOMRKDMVYNSB-FHLIZLRMSA-N 2 0 351.897 3.346 20 0 FGADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@@H]2C[NH2+]CCC2(F)F)c2ccccc21 ZINC000925777857 759536010 /nfs/dbraw/zinc/53/60/10/759536010.db2.gz QZKJAGRXZZHMEA-XKQJLSEDSA-N 2 0 352.425 3.003 20 0 FGADRP C[C@H]([NH2+]CCCCCC1CC[NH2+]CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000925816724 759550903 /nfs/dbraw/zinc/55/09/03/759550903.db2.gz JOJMKYIFLCLMDO-INIZCTEOSA-N 2 0 352.544 3.301 20 0 FGADRP C[C@H]([NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ccc(SC(F)F)cc1 ZINC000925850604 759558448 /nfs/dbraw/zinc/55/84/48/759558448.db2.gz KHVHNNHHHZLSDE-GXTWGEPZSA-N 2 0 370.465 3.337 20 0 FGADRP CC(C)[C@H]([NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ccccc1Cl ZINC000925853153 759559016 /nfs/dbraw/zinc/55/90/16/759559016.db2.gz FIFGDSXROZRTDB-PBHICJAKSA-N 2 0 350.890 3.312 20 0 FGADRP CC[C@H]([NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1cc(Cl)ccc1OC ZINC000925857312 759561464 /nfs/dbraw/zinc/56/14/64/759561464.db2.gz ZKAOMRUMUDPKCL-ZBFHGGJFSA-N 2 0 366.889 3.075 20 0 FGADRP Cc1cc(Cl)ccc1NC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000925895621 759570325 /nfs/dbraw/zinc/57/03/25/759570325.db2.gz NCFZBKDNNJECET-CALCHBBNSA-N 2 0 362.905 3.081 20 0 FGADRP C[C@H]([NH2+]C1CCC(C)([NH+]2CCC2)CC1)c1ccc(NS(C)(=O)=O)cc1 ZINC000927040172 759881484 /nfs/dbraw/zinc/88/14/84/759881484.db2.gz YVWJCSIVKUZVDI-DMKPSLHHSA-N 2 0 365.543 3.116 20 0 FGADRP FC1(F)[C@@H](C[NH+]2CCC(C[NH+]3CCOCC3)CC2)[C@@H]1c1ccccc1 ZINC000929283478 760353083 /nfs/dbraw/zinc/35/30/83/760353083.db2.gz JNMOOSMQMQCDFH-OALUTQOASA-N 2 0 350.453 3.080 20 0 FGADRP FC(F)(F)[C@@H]1CCC[C@@H](C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)O1 ZINC000929762127 760451457 /nfs/dbraw/zinc/45/14/57/760451457.db2.gz DPAVEXHLRGTOIK-IRXDYDNUSA-N 2 0 364.452 3.063 20 0 FGADRP C[C@@H]1[C@H](C(=O)N2CCCC[C@H]2C[NH2+]Cc2ccc(Cl)cc2)CC[N@@H+]1C ZINC000960008438 762730662 /nfs/dbraw/zinc/73/06/62/762730662.db2.gz QVHAAPZHOQFSBG-AYOQOUSVSA-N 2 0 363.933 3.151 20 0 FGADRP C[C@@H]1[C@H](C(=O)N2CC[C@@H]([NH2+]Cc3cc(Cl)ccc3Cl)C2)CC[N@@H+]1C ZINC000968728301 762841565 /nfs/dbraw/zinc/84/15/65/762841565.db2.gz HBNALJJGQVDLKW-DAXOMENPSA-N 2 0 370.324 3.024 20 0 FGADRP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]([NH+](C)Cc3ccc(Cl)s3)C2)CC[N@@H+]1C ZINC000971566223 762913947 /nfs/dbraw/zinc/91/39/47/762913947.db2.gz BXTAEDNSJOAOOU-CWRNSKLLSA-N 2 0 369.962 3.165 20 0 FGADRP CC[C@@H]1[C@@H](C(=O)N2CCC([NH+](C)Cc3csc(C)c3)CC2)CC[N@@H+]1C ZINC000985440838 763930173 /nfs/dbraw/zinc/93/01/73/763930173.db2.gz QXXIKLQQVYAFBE-RBUKOAKNSA-N 2 0 363.571 3.210 20 0 FGADRP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CC[NH+](Cc3c(C)cccc3Cl)C2)CC[N@@H+]1C ZINC001014509659 765787893 /nfs/dbraw/zinc/78/78/93/765787893.db2.gz SOOFUCYKNRNDNL-JTDSTZFVSA-N 2 0 363.933 3.069 20 0 FGADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H]([NH2+][C@H](C)c3ccccc3Cl)C2)CC[N@@H+]1C ZINC001020174528 765866805 /nfs/dbraw/zinc/86/68/05/765866805.db2.gz DTWWDKBMTHIKEX-PVYRDQNTSA-N 2 0 363.933 3.368 20 0 FGADRP C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1)c1ccc(F)c(Cl)c1 ZINC001022105053 765974328 /nfs/dbraw/zinc/97/43/28/765974328.db2.gz MSEANGPQYIPUAF-LKAFINOVSA-N 2 0 367.896 3.117 20 0 FGADRP Cc1cc(C[NH2+]C[C@@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)c(C)s1 ZINC001023991394 766047285 /nfs/dbraw/zinc/04/72/85/766047285.db2.gz VTWVGZIFIIEFQV-HHXXYDBFSA-N 2 0 363.571 3.033 20 0 FGADRP CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@H]1CC[N@H+](Cc2ccccc2Cl)C1 ZINC001033835284 766223383 /nfs/dbraw/zinc/22/33/83/766223383.db2.gz WXFGYEHBAYECCJ-BPQIPLTHSA-N 2 0 363.933 3.103 20 0 FGADRP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]2C[NH2+]Cc2ccc(Cl)s2)CC[N@@H+]1C ZINC001045044564 766505489 /nfs/dbraw/zinc/50/54/89/766505489.db2.gz NNLSSENXQIYHFK-CWRNSKLLSA-N 2 0 369.962 3.212 20 0 FGADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[C@H](C[NH2+]Cc3ccsc3)CC2)CC[N@@H+]1C ZINC001050330134 766835439 /nfs/dbraw/zinc/83/54/39/766835439.db2.gz ZHQKOSWLWQFRPQ-DSLXNQLJSA-N 2 0 363.571 3.243 20 0 FGADRP C[NH+](C)[C@@H](CNC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)c1ccc(F)cc1 ZINC000056950464 257349615 /nfs/dbraw/zinc/34/96/15/257349615.db2.gz YUQAZVOBLXQCDW-KRWDZBQOSA-N 2 0 364.509 3.037 20 0 FGADRP Cc1cc(NC(=O)NCC2=CC[N@H+](C)CC2)cnc1N1CCCC[C@@H]1C ZINC000540949431 503950474 /nfs/dbraw/zinc/95/04/74/503950474.db2.gz DNGKANPZQGQXGB-INIZCTEOSA-N 2 0 357.502 3.152 20 0 FGADRP [NH3+][C@H](CCC(=O)NC1CC[NH+](CCc2ccccc2)CC1)c1ccccc1 ZINC000573602665 505576340 /nfs/dbraw/zinc/57/63/40/505576340.db2.gz SQFYMVKSHAQSOC-JOCHJYFZSA-N 2 0 365.521 3.290 20 0 FGADRP CCC[NH2+][C@@H](C)C(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000570797576 505583481 /nfs/dbraw/zinc/58/34/81/505583481.db2.gz ATGKASNXMQUVIL-HNNXBMFYSA-N 2 0 351.922 3.056 20 0 FGADRP CCCN(CC[NH+]1CCCC1)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H]1C ZINC000573637236 505584063 /nfs/dbraw/zinc/58/40/63/505584063.db2.gz JWASGZKISBIVAN-PZJWPPBQSA-N 2 0 372.557 3.167 20 0 FGADRP O=C(Nc1ccc(F)cc1)[C@@H](c1ccccc1)[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000576755535 505587172 /nfs/dbraw/zinc/58/71/72/505587172.db2.gz OPZIBIUZRFELBQ-LVCYWYKZSA-N 2 0 367.468 3.437 20 0 FGADRP Cc1ccc([C@H]([NH3+])C(=O)N2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)cc1 ZINC000567980513 505588987 /nfs/dbraw/zinc/58/89/87/505588987.db2.gz CKUVCUHCFHQCCN-RXVVDRJESA-N 2 0 357.542 3.498 20 0 FGADRP [NH3+][C@H]1CCC[C@H]([NH2+]C2CCN(Cc3coc(-c4ccccc4)n3)CC2)C1 ZINC000570867307 505599004 /nfs/dbraw/zinc/59/90/04/505599004.db2.gz QURDMYRZGQRZEJ-HKUYNNGSSA-N 2 0 354.498 3.166 20 0 FGADRP C[C@H](CC[NH2+][C@@H]1CCCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21)[S@](C)=O ZINC000568076886 505610126 /nfs/dbraw/zinc/61/01/26/505610126.db2.gz DGXGQLRDOBUUNE-QVNZYJNBSA-N 2 0 362.583 3.424 20 0 FGADRP C[C@@H]([NH2+]CCNC(=O)CC1CCCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000576882965 505615741 /nfs/dbraw/zinc/61/57/41/505615741.db2.gz OSQUGVOWUYMOMD-NQIIRXRSSA-N 2 0 357.542 3.183 20 0 FGADRP O=C(C[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)N[C@@H](c1ccccc1)C1CCCC1 ZINC000570964359 505621639 /nfs/dbraw/zinc/62/16/39/505621639.db2.gz PXHCGIRJKRVSFQ-GIWBLDEGSA-N 2 0 369.553 3.356 20 0 FGADRP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+]2C[C@@H](C)CC(C)(C)C2)CC1 ZINC000579877473 505637065 /nfs/dbraw/zinc/63/70/65/505637065.db2.gz LYFZSMSLCIZFDH-SFHVURJKSA-N 2 0 371.569 3.444 20 0 FGADRP CC[NH+](CC)CCN(Cc1cccs1)C(=O)C[C@@H]1CCCC[C@H]1[NH3+] ZINC000571082348 505649378 /nfs/dbraw/zinc/64/93/78/505649378.db2.gz NJBCLEZWXFMZGK-FUHWJXTLSA-N 2 0 351.560 3.326 20 0 FGADRP CCN1CC[C@H]([NH2+]CC[C@H]2CCC[N@@H+]2C)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000573902648 505647666 /nfs/dbraw/zinc/64/76/66/505647666.db2.gz KJVFPBVMQZDQBC-LJHODMEESA-N 2 0 355.448 3.313 20 0 FGADRP CC1(C)C[NH2+][C@H]1C1CCN(C(=O)c2ccc(Nc3cc[nH+]cc3)cc2)CC1 ZINC000579950830 505651485 /nfs/dbraw/zinc/65/14/85/505651485.db2.gz WOLJSUWREXZBHN-FQEVSTJZSA-N 2 0 364.493 3.097 20 0 FGADRP Cc1c(Br)cccc1C[NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000568247575 505652046 /nfs/dbraw/zinc/65/20/46/505652046.db2.gz QNYPIBOWUTXEAD-BHYGNILZSA-N 2 0 353.304 3.004 20 0 FGADRP C[C@@H](OC[C@H](O)C[NH2+]C1CCC([NH+](C)C)CC1)c1ccc(Cl)cc1 ZINC000574033086 505677474 /nfs/dbraw/zinc/67/74/74/505677474.db2.gz GHTZCVRDKJNBFF-YOODTLSXSA-N 2 0 354.922 3.241 20 0 FGADRP CC(C)[NH+]1CCC(NC(=O)[C@H]2CCC[N@H+](Cc3cccc(F)c3)C2)CC1 ZINC000068200174 493776958 /nfs/dbraw/zinc/77/69/58/493776958.db2.gz LJHLLUSIWITZMV-SFHVURJKSA-N 2 0 361.505 3.027 20 0 FGADRP CC[N@H+](Cc1ccc(C(=O)N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)cc1)C(C)C ZINC000577182872 505681288 /nfs/dbraw/zinc/68/12/88/505681288.db2.gz RTMADKLXWCFOPI-FCHUYYIVSA-N 2 0 365.521 3.402 20 0 FGADRP CC[C@@H](CNC(=O)C1CC[NH+](C(C)C)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000081248599 493851860 /nfs/dbraw/zinc/85/18/60/493851860.db2.gz AIXBBAOUMJSIIU-NRFANRHFSA-N 2 0 357.542 3.060 20 0 FGADRP C[NH+](C)Cc1ccc(C(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)cc1 ZINC000069179317 493933585 /nfs/dbraw/zinc/93/35/85/493933585.db2.gz IOJSQTSPHUEKCC-LJQANCHMSA-N 2 0 355.482 3.298 20 0 FGADRP CC(C)[C@H](CNC(=O)NCc1cccc(C[NH+](C)C)c1)[NH+]1CCC(C)CC1 ZINC000061943515 493998977 /nfs/dbraw/zinc/99/89/77/493998977.db2.gz ILXJGPXSCYBSHH-NRFANRHFSA-N 2 0 374.573 3.304 20 0 FGADRP C[N@H+](C[C@@H](O)CNCc1ccc(-c2nc3ccccc3s2)o1)C1CC1 ZINC000571277045 505696394 /nfs/dbraw/zinc/69/63/94/505696394.db2.gz HWOLGWNFXACLMW-AWEZNQCLSA-N 2 0 357.479 3.101 20 0 FGADRP C[NH+](C)Cc1ccc(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000070736753 494051717 /nfs/dbraw/zinc/05/17/17/494051717.db2.gz PPMHLMITSZVYCS-UHFFFAOYSA-N 2 0 351.494 3.143 20 0 FGADRP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCCCC[C@H]2c2ccc(OC)cc2)CC1 ZINC000052711793 494055902 /nfs/dbraw/zinc/05/59/02/494055902.db2.gz ODGIAODOEVMBLV-NRFANRHFSA-N 2 0 373.541 3.213 20 0 FGADRP C[C@H](NC(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1)C(C)(C)C[NH+](C)C ZINC000085359494 494116666 /nfs/dbraw/zinc/11/66/66/494116666.db2.gz VYCXJOFDQDKYGN-KSZLIROESA-N 2 0 354.583 3.020 20 0 FGADRP C[C@H](NC(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1)C(C)(C)C[NH+](C)C ZINC000085358859 494116812 /nfs/dbraw/zinc/11/68/12/494116812.db2.gz DPZUQMRDMQURSB-PKOBYXMFSA-N 2 0 360.546 3.099 20 0 FGADRP C[C@H](NC(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1)C(C)(C)C[NH+](C)C ZINC000085418359 494123623 /nfs/dbraw/zinc/12/36/23/494123623.db2.gz USIKSMJCTHTUIK-SFHVURJKSA-N 2 0 374.573 3.269 20 0 FGADRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCCC[NH2+]C2CCCCC2)C1 ZINC000065549814 494212288 /nfs/dbraw/zinc/21/22/88/494212288.db2.gz HRGMEZSYPKEJBL-QGZVFWFLSA-N 2 0 352.567 3.109 20 0 FGADRP CCC[NH+]1CCN(c2ccccc2C[NH2+]CCc2ccc(C)nc2)CC1 ZINC000088719323 494256478 /nfs/dbraw/zinc/25/64/78/494256478.db2.gz FFMQBGNNUHTCBB-UHFFFAOYSA-N 2 0 352.526 3.254 20 0 FGADRP CC[NH+](CC)CCOc1ccc(NC(=O)C2CC[NH+](C(C)C)CC2)cc1 ZINC000072969646 494294182 /nfs/dbraw/zinc/29/41/82/494294182.db2.gz DEHSDKRQQWCRQN-UHFFFAOYSA-N 2 0 361.530 3.466 20 0 FGADRP CC[NH+](CC)CCC[C@H](C)NC(=O)C1CCN(c2cc[nH+]cc2C)CC1 ZINC000073012517 494305672 /nfs/dbraw/zinc/30/56/72/494305672.db2.gz YQKMFHDUHOJLQC-SFHVURJKSA-N 2 0 360.546 3.233 20 0 FGADRP Cc1c[nH+]ccc1N1CCC(C(=O)NC[C@@]2([NH+](C)C)CCC[C@H](C)C2)CC1 ZINC000073025554 494307861 /nfs/dbraw/zinc/30/78/61/494307861.db2.gz FEIQVEQKHKRPTC-HTAPYJJXSA-N 2 0 372.557 3.233 20 0 FGADRP CC(C)C[NH+]1CCC(NC(=O)NCCC[N@H+](C)C2CCCCC2)CC1 ZINC000079097275 494403938 /nfs/dbraw/zinc/40/39/38/494403938.db2.gz PPQVUWJWKAMEKY-UHFFFAOYSA-N 2 0 352.567 3.061 20 0 FGADRP CC[NH+](CC)[C@H](C)CNC(=O)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000079253943 494426029 /nfs/dbraw/zinc/42/60/29/494426029.db2.gz KDKSYTZFHIROKA-GOSISDBHSA-N 2 0 352.567 3.014 20 0 FGADRP C[C@H](CNC(=O)N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1)C[NH+]1CCCC1 ZINC000073773593 494426523 /nfs/dbraw/zinc/42/65/23/494426523.db2.gz JZCRVDMBUVNADG-UXHICEINSA-N 2 0 372.557 3.024 20 0 FGADRP O=C(NCC[NH+]1CCCC1)c1ccc(C[NH2+][C@H]2CCc3ccccc32)cc1 ZINC000090028328 494430237 /nfs/dbraw/zinc/43/02/37/494430237.db2.gz YASDBSUEVLEOSD-QFIPXVFZSA-N 2 0 363.505 3.289 20 0 FGADRP C[C@@H]([NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1)c1ccsc1 ZINC000090028841 494431449 /nfs/dbraw/zinc/43/14/49/494431449.db2.gz OYLROXFIVFLJEA-MRXNPFEDSA-N 2 0 357.523 3.425 20 0 FGADRP C[C@H](CCc1ccc(F)cc1)[NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000090038559 494431698 /nfs/dbraw/zinc/43/16/98/494431698.db2.gz ZBYKYGOHQRTTCR-QGZVFWFLSA-N 2 0 371.500 3.228 20 0 FGADRP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N(C)CC[C@@H]2CCCC[NH+]2C)C1 ZINC000073822217 494434974 /nfs/dbraw/zinc/43/49/74/494434974.db2.gz AZOCWJCGELSYHQ-ROUUACIJSA-N 2 0 352.567 3.013 20 0 FGADRP CC[NH+](CC)CCOc1ccc(C(=O)N2CCC[C@@H]2C[NH+]2CCCC2)cc1 ZINC000066943800 494441753 /nfs/dbraw/zinc/44/17/53/494441753.db2.gz JTSLSQKEADASAD-HXUWFJFHSA-N 2 0 373.541 3.108 20 0 FGADRP CCOC(=O)COc1ccc(CC[NH2+]C2CC[NH+](C3CCCC3)CC2)cc1 ZINC000090173566 494453019 /nfs/dbraw/zinc/45/30/19/494453019.db2.gz XDNKKZVOXPZXNE-UHFFFAOYSA-N 2 0 374.525 3.168 20 0 FGADRP C[C@H](NC(=O)C[NH+]1CCC(CC[NH+](C)C)CC1)c1ccc(Cl)cc1 ZINC000079492598 494465111 /nfs/dbraw/zinc/46/51/11/494465111.db2.gz SCGJOIRRBUMWGP-HNNXBMFYSA-N 2 0 351.922 3.181 20 0 FGADRP CC[NH+](CC)CCOc1ccc(C(=O)NC2CC[NH+](C(C)C)CC2)cc1 ZINC000056188453 494468578 /nfs/dbraw/zinc/46/85/78/494468578.db2.gz MSTJMAVDXYYSCD-UHFFFAOYSA-N 2 0 361.530 3.010 20 0 FGADRP CC[NH+](CC)CCCNC(=O)C1CC[NH+](C[C@@H]2C[C@@H]2c2ccccc2)CC1 ZINC000568564605 505723317 /nfs/dbraw/zinc/72/33/17/505723317.db2.gz DBBGLPVEBBEBKE-FCHUYYIVSA-N 2 0 371.569 3.350 20 0 FGADRP Cc1cccc(C)c1C[NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000091060777 494522672 /nfs/dbraw/zinc/52/26/72/494522672.db2.gz MQLMCRPQIOPGIH-UHFFFAOYSA-N 2 0 365.521 3.419 20 0 FGADRP CC[N@H+](CC(=O)NC1CC[NH+](CC)CC1)[C@@H](C)c1cc2ccccc2o1 ZINC000067458267 494545703 /nfs/dbraw/zinc/54/57/03/494545703.db2.gz OYURITIBGUKRTM-INIZCTEOSA-N 2 0 357.498 3.416 20 0 FGADRP Cc1nccn1CC[NH2+]C[C@@H](O)COc1ccc(Oc2ccccc2)cc1 ZINC000580304466 505728199 /nfs/dbraw/zinc/72/81/99/505728199.db2.gz HVGYRLQCNAHKMW-GOSISDBHSA-N 2 0 367.449 3.013 20 0 FGADRP CC(C)[N@H+](C)CC1CCN(C(=O)N[C@@H]2CC[NH+](Cc3ccccc3)C2)CC1 ZINC000056796642 494564664 /nfs/dbraw/zinc/56/46/64/494564664.db2.gz ZCHWODXXOOPLAA-OAQYLSRUSA-N 2 0 372.557 3.023 20 0 FGADRP C[C@H]([NH2+]Cc1cccc(OCC[NH+](C)C)c1)c1nc2ccccc2n1C ZINC000091287613 494578397 /nfs/dbraw/zinc/57/83/97/494578397.db2.gz ISDYHIUCSZGRSJ-INIZCTEOSA-N 2 0 352.482 3.365 20 0 FGADRP C[C@H]1C[C@@H](NC(=O)NCCC2CC[NH+](C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000080115008 494603138 /nfs/dbraw/zinc/60/31/38/494603138.db2.gz YTUYTPDWXMVUKJ-RXVVDRJESA-N 2 0 372.557 3.071 20 0 FGADRP Cc1cnccc1CC[NH2+]Cc1c(Cl)cccc1N1CC[NH+](C)CC1 ZINC000092415163 494618241 /nfs/dbraw/zinc/61/82/41/494618241.db2.gz ODPATOVUZLJMHC-UHFFFAOYSA-N 2 0 358.917 3.128 20 0 FGADRP C[C@H]1C[C@H](NC(=O)N(C)CC2CC[NH+](C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000080166439 494622970 /nfs/dbraw/zinc/62/29/70/494622970.db2.gz ONZNUTMCLJUZJK-GHTZIAJQSA-N 2 0 372.557 3.023 20 0 FGADRP Cc1ccc([C@@H](CNC(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)[NH+]2CCCC2)cc1 ZINC000115813814 494629217 /nfs/dbraw/zinc/62/92/17/494629217.db2.gz APTJRHPKVSMNKG-TZIWHRDSSA-N 2 0 372.557 3.115 20 0 FGADRP CN(C(=O)NCCC1CC[NH+](C)CC1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000074875283 494635549 /nfs/dbraw/zinc/63/55/49/494635549.db2.gz VZGLJTBHHLXYJN-OAQYLSRUSA-N 2 0 372.557 3.024 20 0 FGADRP CC[C@@H]([NH2+]C[C@@H](C)CN1CC[NH+](CC)CC1)c1ccc(OC)c(OC)c1 ZINC000121217818 494650886 /nfs/dbraw/zinc/65/08/86/494650886.db2.gz RYGFOZDCNKMTQV-IEBWSBKVSA-N 2 0 363.546 3.018 20 0 FGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H](C)c2cccc(OC(F)F)c2)CC1 ZINC000121223212 494654198 /nfs/dbraw/zinc/65/41/98/494654198.db2.gz WEVMCRHTZOTALN-CVEARBPZSA-N 2 0 355.473 3.212 20 0 FGADRP COC[C@H](Cc1ccccc1)[NH2+][C@H]1CCN(Cc2ccccn2)C[C@H]1C ZINC000126225012 494677148 /nfs/dbraw/zinc/67/71/48/494677148.db2.gz XNAHAHLKWBBNIY-COPCDDAFSA-N 2 0 353.510 3.139 20 0 FGADRP C[C@@H]1C[N@@H+](CC2CC[NH+](Cc3cccc4c3OCCCO4)CC2)C[C@H](C)O1 ZINC000092587016 494678491 /nfs/dbraw/zinc/67/84/91/494678491.db2.gz LDLMIVQQBQOYSJ-HDICACEKSA-N 2 0 374.525 3.169 20 0 FGADRP Cc1ccc(C)c(C[NH2+]Cc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)c1 ZINC000108420614 494703826 /nfs/dbraw/zinc/70/38/26/494703826.db2.gz PDBAHBAOCDWARY-NRFANRHFSA-N 2 0 365.521 3.291 20 0 FGADRP CC1CC[NH+](Cc2ccc(CNC(=O)NC[C@H]3CCC[N@H+](C)C3)cc2)CC1 ZINC000108549537 494735892 /nfs/dbraw/zinc/73/58/92/494735892.db2.gz GYAHJQGBONCWFH-OAQYLSRUSA-N 2 0 372.557 3.060 20 0 FGADRP CC[NH+](CC)CCOc1ccccc1NC(=O)[C@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC000080599019 494742140 /nfs/dbraw/zinc/74/21/40/494742140.db2.gz YXOVITWNZJKLON-ROUUACIJSA-N 2 0 359.514 3.220 20 0 FGADRP Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)[C@@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC000080611590 494746663 /nfs/dbraw/zinc/74/66/63/494746663.db2.gz GTWBAKDBPFSDLN-MOPGFXCFSA-N 2 0 373.566 3.357 20 0 FGADRP C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)C[C@@H](O)Cc1ccccc1 ZINC000092821069 494763867 /nfs/dbraw/zinc/76/38/67/494763867.db2.gz UMXMHIATFIYVJB-QFIPXVFZSA-N 2 0 353.510 3.224 20 0 FGADRP C[C@H]1CCCC[C@@H]1NC(=O)C[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821425 494763966 /nfs/dbraw/zinc/76/39/66/494763966.db2.gz XXMNYDXYYOAGFV-RXVVDRJESA-N 2 0 372.557 3.315 20 0 FGADRP CC[C@@H]1CCCCN1C(=O)C[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821090 494764233 /nfs/dbraw/zinc/76/42/33/494764233.db2.gz HOSYXGIKTXENQN-HXUWFJFHSA-N 2 0 372.557 3.411 20 0 FGADRP C[NH+](C)CC[C@H](NC(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1)C(C)(C)C ZINC000116413014 494778008 /nfs/dbraw/zinc/77/80/08/494778008.db2.gz ULLGACXVLLKCKV-WMZOPIPTSA-N 2 0 364.534 3.082 20 0 FGADRP Cc1nccn1C[C@H](C)C[NH2+]C1CCC2(CC1)C(=O)Nc1ccccc12 ZINC000121514272 494788392 /nfs/dbraw/zinc/78/83/92/494788392.db2.gz ZEEXLSNSYLOWDQ-FPPRHVDESA-N 2 0 352.482 3.250 20 0 FGADRP CC(C)c1ccc2c(c1)[C@H](NCCC[N@@H+]1CCC[C@H](C(N)=O)C1)CCCO2 ZINC000126662215 494813185 /nfs/dbraw/zinc/81/31/85/494813185.db2.gz CHFYNXZIYVXUTQ-AZUAARDMSA-N 2 0 373.541 3.201 20 0 FGADRP C[C@@H]1CCCN1C(=O)CC[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000075685586 494815936 /nfs/dbraw/zinc/81/59/36/494815936.db2.gz SDWAFNMSOAKDQS-LJQANCHMSA-N 2 0 357.542 3.231 20 0 FGADRP CC[NH+]1CCC(CC[NH2+][C@@H](C)CC(=O)Nc2cccnc2Cl)CC1 ZINC000121641272 494828189 /nfs/dbraw/zinc/82/81/89/494828189.db2.gz KCMDGCCFLTYJME-AWEZNQCLSA-N 2 0 352.910 3.164 20 0 FGADRP c1ncn(-c2ccc(C[NH+]3CC[C@]4(CC[N@@H+](Cc5ccccc5)C4)C3)cc2)n1 ZINC000577543005 505748210 /nfs/dbraw/zinc/74/82/10/505748210.db2.gz TYTBAPBLJOCNTD-QHCPKHFHSA-N 2 0 373.504 3.365 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C2CCN(c3ccccc3)CC2)[C@H](C)C1 ZINC000132752126 494918941 /nfs/dbraw/zinc/91/89/41/494918941.db2.gz NLGVWEHQFIQTLB-KNQAVFIVSA-N 2 0 359.558 3.382 20 0 FGADRP COCC[N@H+](C)CCCC1CC[NH+](Cc2ccc(-n3ccnc3)cc2)CC1 ZINC000122082392 494920193 /nfs/dbraw/zinc/92/01/93/494920193.db2.gz KCXOKCIBFYSACG-UHFFFAOYSA-N 2 0 370.541 3.443 20 0 FGADRP C[C@@H]1C[C@@H](NC(=O)NC2CC[NH+](C(C)(C)C)CC2)C[N@@H+]1Cc1ccccc1 ZINC000127291707 494923332 /nfs/dbraw/zinc/92/33/32/494923332.db2.gz PEIPOFNZBMHUIU-YLJYHZDGSA-N 2 0 372.557 3.212 20 0 FGADRP OC1CC[NH+](Cc2ccccc2C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)CC1 ZINC000122124421 494927112 /nfs/dbraw/zinc/92/71/12/494927112.db2.gz NPUGBZSMXLSZNG-VSKRKVRLSA-N 2 0 370.537 3.081 20 0 FGADRP CC(C)c1cccc2c1OCCC[C@@H]2[NH2+]C[C@@H](C)CN1CC[NH+](C)CC1 ZINC000122250215 494946403 /nfs/dbraw/zinc/94/64/03/494946403.db2.gz YWNKWXZUEGUHPL-NQIIRXRSSA-N 2 0 359.558 3.497 20 0 FGADRP C[C@@H]1C[C@@H](NC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)C[N@@H+]1C1CC1 ZINC000127460660 494947865 /nfs/dbraw/zinc/94/78/65/494947865.db2.gz DDURJXHYUMWRIL-YLJYHZDGSA-N 2 0 370.541 3.097 20 0 FGADRP OC[C@H]1CCC[N@@H+]1CCCC[NH2+][C@@H]1CCCOc2cc3c(cc21)CCC3 ZINC000122335534 494959356 /nfs/dbraw/zinc/95/93/56/494959356.db2.gz MLEPCRYKPGMEEO-TZIWHRDSSA-N 2 0 358.526 3.216 20 0 FGADRP CC(C)Cc1ccc([C@@H](CNC(=O)C2CC[NH+](C3CC3)CC2)[NH+](C)C)cc1 ZINC000568685714 505752299 /nfs/dbraw/zinc/75/22/99/505752299.db2.gz BXOZGANOASVQOL-JOCHJYFZSA-N 2 0 371.569 3.478 20 0 FGADRP C[C@@H](C(=O)Nc1cccc2ncccc21)[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000118868003 495051064 /nfs/dbraw/zinc/05/10/64/495051064.db2.gz MUQIDHMJGVIRCC-INIZCTEOSA-N 2 0 354.498 3.226 20 0 FGADRP CN(c1ccccc1C[NH2+]C[C@@H](O)C1CCCCC1)C1CC[NH+](C)CC1 ZINC000133770592 495060059 /nfs/dbraw/zinc/06/00/59/495060059.db2.gz KZARXKYMIUMIIL-JOCHJYFZSA-N 2 0 359.558 3.248 20 0 FGADRP C[NH+](Cc1ccccc1C[N@@H+](C)[C@H](CO)C(C)(C)C)[C@@H](CO)C(C)(C)C ZINC000118969723 495061455 /nfs/dbraw/zinc/06/14/55/495061455.db2.gz MEHSQWONJTVOGP-BGYRXZFFSA-N 2 0 364.574 3.364 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1c(C)cccc1F ZINC000134110247 495107203 /nfs/dbraw/zinc/10/72/03/495107203.db2.gz DGJBBXIQRLGRJY-MRXNPFEDSA-N 2 0 350.482 3.014 20 0 FGADRP CCCOc1cc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)ccc1OC ZINC000134117359 495108646 /nfs/dbraw/zinc/10/86/46/495108646.db2.gz MIYKPYBSTDZUEP-UHFFFAOYSA-N 2 0 362.514 3.028 20 0 FGADRP C[C@H](C(=O)N[C@@H]1CCOc2ccccc21)[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123408559 495127725 /nfs/dbraw/zinc/12/77/25/495127725.db2.gz UWSAQFMDAXAJFI-YLJYHZDGSA-N 2 0 373.541 3.069 20 0 FGADRP C[NH+](C)CCCC1CC[NH+](CC(=O)N[C@H](c2ccccc2)C2CC2)CC1 ZINC000123444727 495133179 /nfs/dbraw/zinc/13/31/79/495133179.db2.gz QXWBTKWIXBSCFF-JOCHJYFZSA-N 2 0 357.542 3.308 20 0 FGADRP C[C@H](C(=O)Nc1ccc(F)c(F)c1)[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123481570 495138885 /nfs/dbraw/zinc/13/88/85/495138885.db2.gz SYLCPWMKSNUECC-CQSZACIVSA-N 2 0 353.457 3.346 20 0 FGADRP C[C@@H](NC(=O)NCc1cccc(C[NH+]2CCCC2)c1)C(C)(C)C[NH+](C)C ZINC000119377316 495153759 /nfs/dbraw/zinc/15/37/59/495153759.db2.gz ADLZFOLRDNMLJH-QGZVFWFLSA-N 2 0 360.546 3.058 20 0 FGADRP C[C@H](CC(=O)Nc1cccnc1Cl)[NH2+]Cc1cccc(C[NH+](C)C)c1 ZINC000123585245 495156243 /nfs/dbraw/zinc/15/62/43/495156243.db2.gz PLJZBERUWYCKDY-CQSZACIVSA-N 2 0 360.889 3.304 20 0 FGADRP C[C@@H]1C[C@@H](C)C[NH+](CCCC[NH2+]C[C@@H](O)COc2ccccc2Cl)C1 ZINC000568740506 505766203 /nfs/dbraw/zinc/76/62/03/505766203.db2.gz FZFWMLUYWAOFAS-KZNAEPCWSA-N 2 0 368.949 3.427 20 0 FGADRP C[NH+]1CCC(CCNC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000103300744 495214902 /nfs/dbraw/zinc/21/49/02/495214902.db2.gz PPENURRYIZVYAM-UHFFFAOYSA-N 2 0 372.557 3.204 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)NCCC1CC[NH+](C)CC1)c1ccsc1 ZINC000103304857 495216811 /nfs/dbraw/zinc/21/68/11/495216811.db2.gz NPEMWVGYMOWSQF-GOSISDBHSA-N 2 0 366.575 3.162 20 0 FGADRP O=C1[C@H](N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)CCN1c1ccc(Cl)cc1 ZINC000134906020 495219517 /nfs/dbraw/zinc/21/95/17/495219517.db2.gz SURWZHRVAZMTPL-CDHQVMDDSA-N 2 0 373.928 3.394 20 0 FGADRP Cc1nc(COc2ccc(C[NH2+]C3CC(C)(C)[NH2+]C(C)(C)C3)cc2)no1 ZINC000103341029 495222898 /nfs/dbraw/zinc/22/28/98/495222898.db2.gz JGAOWEWGUIWVEG-UHFFFAOYSA-N 2 0 358.486 3.356 20 0 FGADRP CN(CC[NH+]1CCCC1)C(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000112746953 495235760 /nfs/dbraw/zinc/23/57/60/495235760.db2.gz QIXHLXVNQKJNAC-UHFFFAOYSA-N 2 0 372.557 3.300 20 0 FGADRP FC(F)(F)c1cccc(OCCC[N@@H+]2CC[C@H](CN3CCOCC3)C2)c1 ZINC000129406635 495240834 /nfs/dbraw/zinc/24/08/34/495240834.db2.gz CPXDSFSQACXWNZ-INIZCTEOSA-N 2 0 372.431 3.128 20 0 FGADRP C[NH+](C)CCCC[NH2+]Cc1ncc(Br)cc1Br ZINC000135299385 495275128 /nfs/dbraw/zinc/27/51/28/495275128.db2.gz ZHWJTQHYILLRHK-UHFFFAOYSA-N 2 0 365.113 3.038 20 0 FGADRP C[C@@H]1C[C@@H](CCNC(=O)c2ccc(C[NH3+])cc2)C[N@@H+]1Cc1ccccc1 ZINC000568760266 505772130 /nfs/dbraw/zinc/77/21/30/505772130.db2.gz QEMXHTRSMBCABY-YLJYHZDGSA-N 2 0 351.494 3.176 20 0 FGADRP CCSc1ccc(Cl)cc1NC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000120101201 495307732 /nfs/dbraw/zinc/30/77/32/495307732.db2.gz HNBHLZZQUDMAAI-UHFFFAOYSA-N 2 0 372.966 3.409 20 0 FGADRP Cc1ccc(S(=O)(=O)[C@H]2CCCC[C@H]2[NH2+]CC2(C)CC[NH2+]CC2)cc1 ZINC000574442089 505774168 /nfs/dbraw/zinc/77/41/68/505774168.db2.gz UQCVJIHSRIAJAF-MOPGFXCFSA-N 2 0 364.555 3.059 20 0 FGADRP COc1ccc([C@H](C)[NH2+]CC2(N3CCCCC3)CC[NH+](C)CC2)c(F)c1 ZINC000124626535 495318739 /nfs/dbraw/zinc/31/87/39/495318739.db2.gz SHJRVGQQXZVZDM-KRWDZBQOSA-N 2 0 363.521 3.435 20 0 FGADRP CN(C(=O)NCCC1CC[NH+](C)CC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000113615010 495321424 /nfs/dbraw/zinc/32/14/24/495321424.db2.gz YDHXDYLUJMBIKY-UHFFFAOYSA-N 2 0 372.557 3.024 20 0 FGADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)N1CCC[C@H]([NH+]2CCCC2)C1)c1ccccc1 ZINC000113624964 495321730 /nfs/dbraw/zinc/32/17/30/495321730.db2.gz DNJGDMIXAMPDRO-QUCCMNQESA-N 2 0 372.557 3.386 20 0 FGADRP CC(C)C[C@@H](C[NH2+]C1CC[NH+](C2CCCCC2)CC1)N1CCOCC1 ZINC000120214809 495329060 /nfs/dbraw/zinc/32/90/60/495329060.db2.gz LDXWTTIVKJFQLG-NRFANRHFSA-N 2 0 351.579 3.120 20 0 FGADRP CC[C@H](C)[C@@H]1CN(Cc2ccc(C)nc2)CCN1CC[NH+]1CCCCC1 ZINC000135892573 495341312 /nfs/dbraw/zinc/34/13/12/495341312.db2.gz NGTQVOZSXZSOOZ-UGKGYDQZSA-N 2 0 358.574 3.408 20 0 FGADRP CC(C)(C)[NH+]1CCC(NC(=O)NC2CC[NH+](CC3CCCC3)CC2)CC1 ZINC000120289097 495344487 /nfs/dbraw/zinc/34/44/87/495344487.db2.gz IULWYYAGQIPACF-UHFFFAOYSA-N 2 0 364.578 3.203 20 0 FGADRP [NH3+]C[C@@H](NC(=O)NC1CC[NH+](CC2CC2)CC1)c1ccc2ccccc2c1 ZINC000571625307 505776475 /nfs/dbraw/zinc/77/64/75/505776475.db2.gz KUJPFEYWMIKRCG-OAQYLSRUSA-N 2 0 366.509 3.013 20 0 FGADRP CCCn1ccnc1CCC[N@H+](C)CCCn1c2ccccc2[nH]c1=O ZINC000577695981 505777040 /nfs/dbraw/zinc/77/70/40/505777040.db2.gz GZQAXRZKYKARQX-UHFFFAOYSA-N 2 0 355.486 3.303 20 0 FGADRP Cc1cc(C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)c(Cl)cc1F ZINC000130323854 495373254 /nfs/dbraw/zinc/37/32/54/495373254.db2.gz XAIPAEVRIZIEEO-UHFFFAOYSA-N 2 0 357.901 3.133 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1)c1ccccc1 ZINC000136375756 495376025 /nfs/dbraw/zinc/37/60/25/495376025.db2.gz ASOILZCKVPQXTP-NJDAHSKKSA-N 2 0 372.557 3.195 20 0 FGADRP CC[NH+](CC)Cc1ccc(CNC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)cc1 ZINC000136574504 495387575 /nfs/dbraw/zinc/38/75/75/495387575.db2.gz HAQJISBJNMJODU-LEWJYISDSA-N 2 0 372.557 3.154 20 0 FGADRP C[NH+]1CCN(c2cc(C[NH2+][C@H]3CC[C@H](c4ccccc4)C3)ccn2)CC1 ZINC000130519819 495404890 /nfs/dbraw/zinc/40/48/90/495404890.db2.gz PSOCHNPWNOUFSZ-SFTDATJTSA-N 2 0 350.510 3.259 20 0 FGADRP CC[NH+](CC)Cc1ccccc1C[NH2+][C@H](C)C(=O)NCc1ccccc1F ZINC000114746150 495420422 /nfs/dbraw/zinc/42/04/22/495420422.db2.gz PWMZIOAXXQRHAY-QGZVFWFLSA-N 2 0 371.500 3.462 20 0 FGADRP CC[C@H]([NH2+]CCCC[NH+]1CCN(c2cccc(C)c2)CC1)c1cnn(C)c1 ZINC000125323842 495426297 /nfs/dbraw/zinc/42/62/97/495426297.db2.gz YAZVYZSDZUXWDP-QFIPXVFZSA-N 2 0 369.557 3.372 20 0 FGADRP Cc1cccc(N2CC[NH+](CCCC[NH2+][C@@H](C)C3CCOCC3)CC2)c1 ZINC000125342107 495429782 /nfs/dbraw/zinc/42/97/82/495429782.db2.gz CKCIUUSUXZNREL-FQEVSTJZSA-N 2 0 359.558 3.302 20 0 FGADRP C[NH+](C)CC1CCC(NC(=O)NC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000137328845 495437183 /nfs/dbraw/zinc/43/71/83/495437183.db2.gz VCCANIXLIUYPSW-UHFFFAOYSA-N 2 0 372.557 3.071 20 0 FGADRP Cc1cccc(CN(CC[NH+](C)C)C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)c1 ZINC000114908962 495441025 /nfs/dbraw/zinc/44/10/25/495441025.db2.gz JFIVYCMCDVWYJM-UHFFFAOYSA-N 2 0 374.573 3.377 20 0 FGADRP Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)C[NH+]1CCC(C)CC1 ZINC000137478893 495442491 /nfs/dbraw/zinc/44/24/91/495442491.db2.gz DQZDRVLTJIOMAF-UHFFFAOYSA-N 2 0 361.555 3.214 20 0 FGADRP C[C@@H]1CCC[N@@H+]1C1CCN(C(=O)[C@@H]2CCC[NH+](Cc3ccccc3)C2)CC1 ZINC000125529307 495458700 /nfs/dbraw/zinc/45/87/00/495458700.db2.gz QHWFPTDXXZUERU-TZIWHRDSSA-N 2 0 369.553 3.374 20 0 FGADRP C[N@H+](CCNC(=O)C1CC[NH+](Cc2ccsc2)CC1)Cc1ccccc1 ZINC000130910024 495465204 /nfs/dbraw/zinc/46/52/04/495465204.db2.gz HSAGBWVNGNXYFV-UHFFFAOYSA-N 2 0 371.550 3.208 20 0 FGADRP Cc1ccc(OC(F)F)c([C@H](C)[NH2+]C[C@H](C)CN2CC[NH+](C)CC2)c1 ZINC000120858725 495472356 /nfs/dbraw/zinc/47/23/56/495472356.db2.gz DAUJGHOASINWCN-HOTGVXAUSA-N 2 0 355.473 3.131 20 0 FGADRP COc1ccc([C@@H](C)[NH2+]C[C@H](C)CN2CC[NH+](C)CC2)c2ccccc12 ZINC000120865037 495474494 /nfs/dbraw/zinc/47/44/94/495474494.db2.gz SLWPNITZQBRYCG-ZWKOTPCHSA-N 2 0 355.526 3.383 20 0 FGADRP Cc1ccc([C@@H](CNC(=O)NC[C@@H]2CC[N@@H+](C(C)C)C2)[NH+]2CCCC2)cc1 ZINC000139782280 495483563 /nfs/dbraw/zinc/48/35/63/495483563.db2.gz MJBSHQZUABIRON-PZJWPPBQSA-N 2 0 372.557 3.161 20 0 FGADRP CC(C)C[NH+]1CCC([NH2+][C@@H](C)CC(=O)Nc2cccnc2Cl)CC1 ZINC000131154474 495500023 /nfs/dbraw/zinc/50/00/23/495500023.db2.gz CNEFMPISFXQECS-AWEZNQCLSA-N 2 0 352.910 3.162 20 0 FGADRP CCC[NH+]1CCC(NC(=O)NCc2cccc(C[NH+](CC)CC)c2)CC1 ZINC000107327153 495525260 /nfs/dbraw/zinc/52/52/60/495525260.db2.gz YFQWPJXKJKMBET-UHFFFAOYSA-N 2 0 360.546 3.202 20 0 FGADRP C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000143606004 495537001 /nfs/dbraw/zinc/53/70/01/495537001.db2.gz JDWDPFKXLDLLLT-VAMGGRTRSA-N 2 0 371.569 3.381 20 0 FGADRP CC[NH+](CC)[C@@H](C(=O)N1CCC[C@@H]([NH3+])C1)c1cccc(C(F)(F)F)c1 ZINC000158591973 495545411 /nfs/dbraw/zinc/54/54/11/495545411.db2.gz JAPJYBYBQNNGIY-HZPDHXFCSA-N 2 0 357.420 3.038 20 0 FGADRP CC[NH+]1CCN(CCC[NH2+][C@@H]2CCCOc3ccc(Cl)cc32)CC1 ZINC000154225180 495549916 /nfs/dbraw/zinc/54/99/16/495549916.db2.gz MHAFIQFSEITIGH-GOSISDBHSA-N 2 0 351.922 3.171 20 0 FGADRP CC[NH+]1CCN(CCC[NH2+][C@@H](C)c2ccccc2Br)CC1 ZINC000154246913 495556759 /nfs/dbraw/zinc/55/67/59/495556759.db2.gz CLZPSXKSVDQVHP-HNNXBMFYSA-N 2 0 354.336 3.127 20 0 FGADRP CC[NH+]1CCN(CCC[NH2+][C@H](C)c2ccccc2Br)CC1 ZINC000154247026 495556808 /nfs/dbraw/zinc/55/68/08/495556808.db2.gz CLZPSXKSVDQVHP-OAHLLOKOSA-N 2 0 354.336 3.127 20 0 FGADRP C[C@@H](CNC(=O)C1CC[NH+](Cc2ccccc2)CC1)[N@@H+]1CCCC[C@H]1C ZINC000148016084 495580171 /nfs/dbraw/zinc/58/01/71/495580171.db2.gz DPOFQYFIMCXNRY-MOPGFXCFSA-N 2 0 357.542 3.278 20 0 FGADRP CCOC[C@H]1CC[NH+](Cc2cccc(C[N@H+]3CC[C@H](COCC)C3)c2)C1 ZINC000176332414 495605119 /nfs/dbraw/zinc/60/51/19/495605119.db2.gz HCXRXZZUXUSDQW-VXKWHMMOSA-N 2 0 360.542 3.403 20 0 FGADRP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](C[C@H](O)COc2ccccc2)CC1 ZINC000158872045 495605839 /nfs/dbraw/zinc/60/58/39/495605839.db2.gz PZCQKJDRLFOELN-FPOVZHCZSA-N 2 0 360.542 3.403 20 0 FGADRP Cc1cccc(C[C@H](CO)[NH2+][C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000580602552 505794071 /nfs/dbraw/zinc/79/40/71/505794071.db2.gz JYPNHYJLZHBADH-WTIAFYNJSA-N 2 0 352.522 3.399 20 0 FGADRP C[C@@H](C(=O)N(C)CC1CCN(c2cc[nH+]cc2)CC1)[NH+]1CCCCCC1 ZINC000154503785 495637242 /nfs/dbraw/zinc/63/72/42/495637242.db2.gz FRLXSYLRSUJOQD-SFHVURJKSA-N 2 0 358.530 3.021 20 0 FGADRP C[C@@H](NC(=O)CN1CC[C@H](C[NH+]2CCCC2)C1)c1cccc2ccccc21 ZINC000150838167 495651119 /nfs/dbraw/zinc/65/11/19/495651119.db2.gz DCNUVSWLZSJDBA-RTBURBONSA-N 2 0 365.521 3.435 20 0 FGADRP C[C@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)C(C)(C)c1ccccc1 ZINC000159127916 495665378 /nfs/dbraw/zinc/66/53/78/495665378.db2.gz PYCIBYIMWHTSMS-SFHVURJKSA-N 2 0 352.526 3.289 20 0 FGADRP CCc1nc2c(s1)[C@@H]([NH2+]Cc1ccnc(N3CC[NH+](C)CC3)c1)CCC2 ZINC000159167203 495674347 /nfs/dbraw/zinc/67/43/47/495674347.db2.gz ARNXQZZCZIMRND-INIZCTEOSA-N 2 0 371.554 3.020 20 0 FGADRP C[NH+](C)CCN1CCC([NH2+][C@H]2CCCOc3ccc(Cl)cc32)CC1 ZINC000150949867 495691407 /nfs/dbraw/zinc/69/14/07/495691407.db2.gz VNHMENJUIAVQGB-SFHVURJKSA-N 2 0 351.922 3.169 20 0 FGADRP C[NH+](C)CCN1CCC([NH2+][C@@H]2CCc3cc(Br)ccc32)CC1 ZINC000150952708 495692281 /nfs/dbraw/zinc/69/22/81/495692281.db2.gz LJQZDIWVTUXKCK-GOSISDBHSA-N 2 0 366.347 3.052 20 0 FGADRP CC[NH+](CC)CCCNC(=O)C1CC[NH+](Cc2cc(C)cc(C)c2)CC1 ZINC000151004219 495709291 /nfs/dbraw/zinc/70/92/91/495709291.db2.gz MAPBNSBBTNXWQL-UHFFFAOYSA-N 2 0 359.558 3.364 20 0 FGADRP CC(C)C[C@@H](CCO)C[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000151048446 495722970 /nfs/dbraw/zinc/72/29/70/495722970.db2.gz VWIWCXXWVNHLTM-LJQANCHMSA-N 2 0 361.574 3.351 20 0 FGADRP O[C@H](CO[C@H]1CCCc2ccccc21)C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000173870534 495727072 /nfs/dbraw/zinc/72/70/72/495727072.db2.gz SZYQTYWJBZBJHU-NWSQWKLXSA-N 2 0 372.553 3.249 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1N[C@@H]1CC[NH+](CC2CCCC2)C1 ZINC000151167532 495760113 /nfs/dbraw/zinc/76/01/13/495760113.db2.gz XEJPTVLDWGEVIM-QIJUGHKUSA-N 2 0 356.558 3.146 20 0 FGADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1ccc(Cl)cc1Br ZINC000185877087 495760979 /nfs/dbraw/zinc/76/09/79/495760979.db2.gz MDJTYUMEJRLYBT-CYBMUJFWSA-N 2 0 374.754 3.218 20 0 FGADRP FC(F)Oc1cccc(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)c1 ZINC000173954516 495762939 /nfs/dbraw/zinc/76/29/39/495762939.db2.gz IDZTUADTPSKOMX-UHFFFAOYSA-N 2 0 354.441 3.365 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)NCC1CC[NH+](CC)CC1)c1ccccc1 ZINC000568903315 505804916 /nfs/dbraw/zinc/80/49/16/505804916.db2.gz DAKIZANORJAKIB-HXUWFJFHSA-N 2 0 360.546 3.101 20 0 FGADRP CC[C@@H]([NH2+][C@@H](C)CN1CC[NH+](C)CC1)c1ccccc1Br ZINC000155145850 495851497 /nfs/dbraw/zinc/85/14/97/495851497.db2.gz DTWGDHXXKPKKOD-WMLDXEAASA-N 2 0 354.336 3.126 20 0 FGADRP c1[nH]nc2c1C[C@H]([NH2+][C@H]1CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]31)CC2 ZINC000183153862 495857683 /nfs/dbraw/zinc/85/76/83/495857683.db2.gz YPCYKCWHVFPUCA-RYTRXMBJSA-N 2 0 350.510 3.157 20 0 FGADRP CCC[NH+]1CCC([NH2+]C[C@H](c2cccc(Cl)c2)N2CCOCC2)CC1 ZINC000183206892 495880864 /nfs/dbraw/zinc/88/08/64/495880864.db2.gz JEWBGSBYHSVZHF-HXUWFJFHSA-N 2 0 365.949 3.177 20 0 FGADRP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccc(SC(F)F)cc3)C2)CC1 ZINC000171527686 495914714 /nfs/dbraw/zinc/91/47/14/495914714.db2.gz RAOCFMIUIDXZEN-MRXNPFEDSA-N 2 0 355.498 3.213 20 0 FGADRP C[C@H]1C[C@@H](N(C)C(=O)NCC2CC[NH+](Cc3ccccc3)CC2)CC[N@@H+]1C ZINC000174345209 495920353 /nfs/dbraw/zinc/92/03/53/495920353.db2.gz LLPSLASGOQCJIF-RXVVDRJESA-N 2 0 372.557 3.023 20 0 FGADRP Cc1ccc2c(c1)[C@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)[C@@H](C)C2 ZINC000180267030 495930595 /nfs/dbraw/zinc/93/05/95/495930595.db2.gz JWGTZABCVQOOCK-LAUBAEHRSA-N 2 0 350.510 3.165 20 0 FGADRP CC[NH+]1CCN(CCC[NH2+][C@@H](C)c2ccc(Br)cc2)CC1 ZINC000177212668 495979342 /nfs/dbraw/zinc/97/93/42/495979342.db2.gz QYZSKMLKMZFPGT-HNNXBMFYSA-N 2 0 354.336 3.127 20 0 FGADRP C[C@H]([NH2+]CCCN1CC[NH+](Cc2ccccc2)CC1)c1cncc(F)c1 ZINC000151912866 495990394 /nfs/dbraw/zinc/99/03/94/495990394.db2.gz GZKPJKCINRAYAI-SFHVURJKSA-N 2 0 356.489 3.079 20 0 FGADRP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000183495945 496009098 /nfs/dbraw/zinc/00/90/98/496009098.db2.gz OKGGXUPBDZMKEO-AEFFLSMTSA-N 2 0 374.554 3.171 20 0 FGADRP CC[C@H]([NH2+]CCc1ccc(OCC[NH+]2CCCC2)cc1)c1nccn1C ZINC000183498791 496010896 /nfs/dbraw/zinc/01/08/96/496010896.db2.gz LYQDQKJQKPBWKU-FQEVSTJZSA-N 2 0 356.514 3.178 20 0 FGADRP C[C@H]([NH2+]CCCN1CCC[N@H+](C)CC1)c1ccc(Br)cc1 ZINC000177302810 496010975 /nfs/dbraw/zinc/01/09/75/496010975.db2.gz GWXIQNDHOBURJD-HNNXBMFYSA-N 2 0 354.336 3.127 20 0 FGADRP Cc1ccccc1C[NH+]1CCC(NC(=O)C[NH+]2[C@@H](C)CCC[C@@H]2C)CC1 ZINC000171741319 496016265 /nfs/dbraw/zinc/01/62/65/496016265.db2.gz DJOLOOVSUUEHJL-OALUTQOASA-N 2 0 357.542 3.339 20 0 FGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]Cc2ccc(-c3ccc(F)cc3)o2)CC1 ZINC000171764655 496027273 /nfs/dbraw/zinc/02/72/73/496027273.db2.gz ZXJGISLYTVLDJS-KRWDZBQOSA-N 2 0 359.489 3.449 20 0 FGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@@H](c2ccccc2)c2ccc(F)cn2)CC1 ZINC000183553387 496027968 /nfs/dbraw/zinc/02/79/68/496027968.db2.gz HGJDOFFPMBEOII-AVRDEDQJSA-N 2 0 370.516 3.173 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCc2nc(CC)c(C)s2)[C@@H](C)C1 ZINC000155689630 496037144 /nfs/dbraw/zinc/03/71/44/496037144.db2.gz GYKGOAWKNQBMRX-YJBOKZPZSA-N 2 0 353.576 3.283 20 0 FGADRP CC(C)c1ccccc1NC(=O)C[C@@H](C)[NH2+][C@H](C)CCN1CC[NH+](C)CC1 ZINC000186572604 496050855 /nfs/dbraw/zinc/05/08/55/496050855.db2.gz DIFYEFNOIUICTQ-RTBURBONSA-N 2 0 374.573 3.143 20 0 FGADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+][C@H]1CCSc2ccc(Cl)cc21 ZINC000186592813 496062074 /nfs/dbraw/zinc/06/20/74/496062074.db2.gz TUQVUBIMONPPFJ-YOEHRIQHSA-N 2 0 353.963 3.493 20 0 FGADRP CC(C)[NH+]1CCC(NC(=O)N2CC[C@H](C)[N@H+](Cc3ccccc3)CC2)CC1 ZINC000174689399 496063183 /nfs/dbraw/zinc/06/31/83/496063183.db2.gz HZDRXJXFATZMRL-IBGZPJMESA-N 2 0 372.557 3.165 20 0 FGADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1cccc(-c2ccncc2)c1 ZINC000186597030 496064811 /nfs/dbraw/zinc/06/48/11/496064811.db2.gz NVIXOAONPMRLSF-MOPGFXCFSA-N 2 0 352.526 3.425 20 0 FGADRP C[C@@H]([NH2+][C@@H](C)CCN1CC[NH+](C)CC1)c1ccc(Br)s1 ZINC000186596272 496065001 /nfs/dbraw/zinc/06/50/01/496065001.db2.gz IPLHMCOAGBGECX-QWHCGFSZSA-N 2 0 360.365 3.187 20 0 FGADRP O=C(NC1CC[NH+](C2CCCC2)CC1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000177449207 496065530 /nfs/dbraw/zinc/06/55/30/496065530.db2.gz RKVNLVBQSCIMCH-FQEVSTJZSA-N 2 0 369.553 3.422 20 0 FGADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1ccccc1Br ZINC000186601269 496067020 /nfs/dbraw/zinc/06/70/20/496067020.db2.gz CWSSSWJPDSAOGA-GJZGRUSLSA-N 2 0 354.336 3.126 20 0 FGADRP c1coc([C@H](C[NH2+]C2CCN(Cc3ccncc3)CC2)N2CCCC2)c1 ZINC000152263321 496097495 /nfs/dbraw/zinc/09/74/95/496097495.db2.gz PVDCORZPHQGEGD-FQEVSTJZSA-N 2 0 354.498 3.066 20 0 FGADRP COc1cccc([C@H](CNC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)[NH+](C)C)c1 ZINC000177600824 496128074 /nfs/dbraw/zinc/12/80/74/496128074.db2.gz NXBBCKOVGDMMPZ-RXVVDRJESA-N 2 0 373.541 3.069 20 0 FGADRP CC[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)c1ccc(OC)cc1 ZINC000177826620 496213298 /nfs/dbraw/zinc/21/32/98/496213298.db2.gz NRQGWIBLLWEPAR-FQEVSTJZSA-N 2 0 354.498 3.083 20 0 FGADRP C[C@@H]([NH2+]CC(=O)N(C)C1CCCCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000577971777 505830342 /nfs/dbraw/zinc/83/03/42/505830342.db2.gz YSHLJAOGCNCECV-QGZVFWFLSA-N 2 0 361.530 3.069 20 0 FGADRP CC[NH+](CC)Cc1ccc(CNC(=O)N2CC[C@H](C[N@@H+](C)CC)C2)cc1 ZINC000177845993 496221011 /nfs/dbraw/zinc/22/10/11/496221011.db2.gz KSSDUTPLFXQZKE-HXUWFJFHSA-N 2 0 360.546 3.012 20 0 FGADRP CC(C)CCn1cccc1C[NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000180992740 496233676 /nfs/dbraw/zinc/23/36/76/496233676.db2.gz XRGHAJYKOKJEJR-QFIPXVFZSA-N 2 0 355.526 3.391 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)N1CC[C@@H]([NH+](CC)CC)C1)c1ccsc1 ZINC000175075342 496237583 /nfs/dbraw/zinc/23/75/83/496237583.db2.gz IDZKZBIBZAUNMV-MSOLQXFVSA-N 2 0 366.575 3.257 20 0 FGADRP C[NH+](C)CCCC1CCN(C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)CC1 ZINC000162275272 496328000 /nfs/dbraw/zinc/32/80/00/496328000.db2.gz HMSWNFAYSLIWDM-GOSISDBHSA-N 2 0 354.583 3.116 20 0 FGADRP CCC[N@@H+]1CC[C@@H](CNC(=O)NC2CCC([NH+]3CCC(C)CC3)CC2)C1 ZINC000162354794 496342098 /nfs/dbraw/zinc/34/20/98/496342098.db2.gz XHMAFXNMZATALJ-HDYDNRTBSA-N 2 0 364.578 3.061 20 0 FGADRP CN1C(=O)CCc2cc(C[NH2+]Cc3ccc(F)c(C[NH+](C)C)c3)ccc21 ZINC000187243437 496357861 /nfs/dbraw/zinc/35/78/61/496357861.db2.gz OYNPACPPBVGRJM-UHFFFAOYSA-N 2 0 355.457 3.086 20 0 FGADRP C[C@H]([NH2+]Cc1ccc(OCC[NH+](C)C)cc1)c1ccc([S@](C)=O)cc1 ZINC000162514198 496365384 /nfs/dbraw/zinc/36/53/84/496365384.db2.gz AHBCBFWEIQQXSR-IVCQMTBJSA-N 2 0 360.523 3.215 20 0 FGADRP C[C@@H]([NH2+]CCc1ccc2c(c1)OCCO2)c1ccc(OCC[NH+](C)C)cc1 ZINC000178204210 496368938 /nfs/dbraw/zinc/36/89/38/496368938.db2.gz YKAJVGRJIREWAM-QGZVFWFLSA-N 2 0 370.493 3.292 20 0 FGADRP C[C@H]([NH2+]CCc1ccc2c(c1)CCO2)c1ccc(OCC[NH+](C)C)cc1 ZINC000178232156 496379409 /nfs/dbraw/zinc/37/94/09/496379409.db2.gz MDNUSEMDOLXSIX-KRWDZBQOSA-N 2 0 354.494 3.455 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCN2c3ccccc3C[C@@H]2C)[C@H](C)C1 ZINC000162727930 496403108 /nfs/dbraw/zinc/40/31/08/496403108.db2.gz FKPNARPFKTVTTO-DYXWJJEUSA-N 2 0 359.558 3.164 20 0 FGADRP CC[N@H+](Cc1ccc(C(=O)N2CCC[C@H]3C[NH+](C)CC[C@@H]32)cc1)C(C)C ZINC000157097310 496404998 /nfs/dbraw/zinc/40/49/98/496404998.db2.gz OXZBWTGZCFYCAE-SFTDATJTSA-N 2 0 357.542 3.473 20 0 FGADRP CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+]CC[C@H](C)[NH+]2CCCCC2)cc1 ZINC000184497335 496411822 /nfs/dbraw/zinc/41/18/22/496411822.db2.gz ABQDKFDMCWFALK-IRXDYDNUSA-N 2 0 367.559 3.363 20 0 FGADRP C[C@@H](C(=O)NCc1ccc(Cl)cc1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157179161 496422256 /nfs/dbraw/zinc/42/22/56/496422256.db2.gz FKWILAMHPBYKPV-LPHOPBHVSA-N 2 0 363.933 3.295 20 0 FGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)Nc1cccc(N2CC[NH+](C(C)C)CC2)c1 ZINC000162972214 496442951 /nfs/dbraw/zinc/44/29/51/496442951.db2.gz MABLCAGJTBNZRU-HXUWFJFHSA-N 2 0 358.530 3.030 20 0 FGADRP CC[N@H+](C)C[C@H]1CCN(C(=O)N[C@@H](C[NH+](C)Cc2ccccc2)C(C)C)C1 ZINC000187478227 496458158 /nfs/dbraw/zinc/45/81/58/496458158.db2.gz VJZUVCGRUWAYAB-RTWAWAEBSA-N 2 0 374.573 3.126 20 0 FGADRP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N(C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000187479062 496458606 /nfs/dbraw/zinc/45/86/06/496458606.db2.gz SKEMTKJDIKWQNS-GIVPXCGWSA-N 2 0 374.573 3.267 20 0 FGADRP C[C@@H]([NH2+]CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)C1CCCC1 ZINC000184649315 496479951 /nfs/dbraw/zinc/47/99/51/496479951.db2.gz AXBMFFARRGWLRD-MRXNPFEDSA-N 2 0 361.555 3.342 20 0 FGADRP CC(C)N(CC[NH+](C)C)C(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000157456603 496481319 /nfs/dbraw/zinc/48/13/19/496481319.db2.gz WOEIXVLNMRREFE-LJQANCHMSA-N 2 0 374.573 3.400 20 0 FGADRP CC[NH+]1CCC(N(C)CC(=O)N[C@H](C)c2cccc3ccccc32)CC1 ZINC000157487125 496486118 /nfs/dbraw/zinc/48/61/18/496486118.db2.gz RAGTUAIZGREIAL-QGZVFWFLSA-N 2 0 353.510 3.433 20 0 FGADRP CC[C@H]([NH2+][C@H](C)CN1CC[NH+](C)CC1)c1cc(F)cc(Br)c1 ZINC000181721105 496517484 /nfs/dbraw/zinc/51/74/84/496517484.db2.gz XZNVITVEIMOHEB-DYVFJYSZSA-N 2 0 372.326 3.265 20 0 FGADRP CC[NH+](CC)Cc1cccc(C[NH2+][C@@H](C)c2ccc(-n3cnnn3)cc2)c1 ZINC000163571849 496534113 /nfs/dbraw/zinc/53/41/13/496534113.db2.gz LQSHIPSQDHWHLP-KRWDZBQOSA-N 2 0 364.497 3.355 20 0 FGADRP CCC[NH+]1CCC(CNC(=O)NCCCC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000157753174 496545256 /nfs/dbraw/zinc/54/52/56/496545256.db2.gz FEBMNNPVJWWING-GOSISDBHSA-N 2 0 352.567 3.062 20 0 FGADRP [NH3+][C@@H](CC1CCCCC1)C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000569099713 505852955 /nfs/dbraw/zinc/85/29/55/505852955.db2.gz NJGMRUROHJSKBR-IBGZPJMESA-N 2 0 363.571 3.374 20 0 FGADRP c1cc([C@H]2CCC[N@H+]2CCOCC[NH+]2CCC[C@H]2c2ccncc2)ccn1 ZINC000153935788 496629596 /nfs/dbraw/zinc/62/95/96/496629596.db2.gz IWFQBOOOXZWIJE-SZPZYZBQSA-N 2 0 366.509 3.467 20 0 FGADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H](C)c2cccc(Br)c2)CC1 ZINC000173321599 496642271 /nfs/dbraw/zinc/64/22/71/496642271.db2.gz NBHPKHJTIYKJFZ-CABCVRRESA-N 2 0 354.336 3.126 20 0 FGADRP C[C@@H](C[NH2+]C1CCN(C(=O)c2ccc(Cl)cc2)CC1)C[NH+]1CCCC1 ZINC000165321156 496655931 /nfs/dbraw/zinc/65/59/31/496655931.db2.gz OBYYLLIDMIKXSN-INIZCTEOSA-N 2 0 363.933 3.266 20 0 FGADRP CCO[C@@H]1C[C@@]([NH3+])(C(=O)Nc2cccc(C[NH+]3CCCCC3)c2)C1(C)C ZINC000188080477 496675029 /nfs/dbraw/zinc/67/50/29/496675029.db2.gz MVPFFMJOPXBEHF-WIYYLYMNSA-N 2 0 359.514 3.144 20 0 FGADRP CC[N@@H+]1CC[C@@H]([NH2+]C2CCN(Cc3ccc(F)c(F)c3)CC2)[C@H](C)C1 ZINC000166162654 496678344 /nfs/dbraw/zinc/67/83/44/496678344.db2.gz UVIRMCFNZBFFBO-FOIQADDNSA-N 2 0 351.485 3.249 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)[C@@H](C)C[NH2+]C)c1ccc(C(F)(F)F)cc1 ZINC000166245138 496680487 /nfs/dbraw/zinc/68/04/87/496680487.db2.gz ZKLOQLPJIZZFLW-BBRMVZONSA-N 2 0 359.436 3.060 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)C1CC[NH2+]CC1)c1ccc(C(F)(F)F)cc1 ZINC000166242633 496680951 /nfs/dbraw/zinc/68/09/51/496680951.db2.gz QMOFLOCUYISKRZ-QGZVFWFLSA-N 2 0 371.447 3.204 20 0 FGADRP C[C@H]([NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1)c1ccc(Cl)nc1 ZINC000179132940 496686548 /nfs/dbraw/zinc/68/65/48/496686548.db2.gz PBCZIFZETQSDRY-INIZCTEOSA-N 2 0 350.938 3.336 20 0 FGADRP CCC[NH+]1CCC([NH2+]CCC(=O)Nc2cc(C)c(Cl)cc2OC)CC1 ZINC000158377716 496688565 /nfs/dbraw/zinc/68/85/65/496688565.db2.gz OPJDWGHWDHPJLD-UHFFFAOYSA-N 2 0 367.921 3.450 20 0 FGADRP FC(F)(F)c1ccc(CN2CC[C@@H]([NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)C2)cc1 ZINC000166611191 496689597 /nfs/dbraw/zinc/68/95/97/496689597.db2.gz MVBKEULSXUHSTI-GUDVDZBRSA-N 2 0 367.459 3.496 20 0 FGADRP O=C(CC[NH2+][C@@H](Cc1ccccc1Cl)c1ccccc1)N1CC[NH2+]CC1 ZINC000574811134 505860612 /nfs/dbraw/zinc/86/06/12/505860612.db2.gz AVJJBJHKCPXLGC-FQEVSTJZSA-N 2 0 371.912 3.035 20 0 FGADRP C[C@H]([NH2+]CCCC[NH+]1CCN(CCO)CC1)c1cc(Cl)cc(Cl)c1 ZINC000168954374 496713891 /nfs/dbraw/zinc/71/38/91/496713891.db2.gz DIEGWZOMONMNGQ-HNNXBMFYSA-N 2 0 374.356 3.034 20 0 FGADRP C[C@H]([NH2+]CCCC[NH+]1CCN(CCO)CC1)c1cc(Cl)ccc1Cl ZINC000168957888 496714016 /nfs/dbraw/zinc/71/40/16/496714016.db2.gz HRWHWFLUPAUIAV-HNNXBMFYSA-N 2 0 374.356 3.034 20 0 FGADRP CSc1ccccc1[C@@H](C)[NH2+]C[C@H](O)CN1CCc2ccccc2C1 ZINC000194846452 496733973 /nfs/dbraw/zinc/73/39/73/496733973.db2.gz HBTQOYHYNNZSJW-APWZRJJASA-N 2 0 356.535 3.478 20 0 FGADRP C[NH+](C)[C@H]1CCC[N@H+](CCC(=O)Nc2cccc(Br)c2)CC1 ZINC000277335249 496739470 /nfs/dbraw/zinc/73/94/70/496739470.db2.gz VTPVDRPPDRLLDY-INIZCTEOSA-N 2 0 368.319 3.194 20 0 FGADRP CCN(CC)c1ccc(C[NH2+][C@H]2CCN(Cc3ccccn3)C[C@H]2C)cn1 ZINC000246969603 496739802 /nfs/dbraw/zinc/73/98/02/496739802.db2.gz IZZLDTFXRHWCPW-NQIIRXRSSA-N 2 0 367.541 3.323 20 0 FGADRP COc1cc(C[NH2+]Cc2ccc(OCCC[NH+](C)C)cc2)cc(OC)c1O ZINC000263835290 496740216 /nfs/dbraw/zinc/74/02/16/496740216.db2.gz CAQQKYDWIOSCPC-UHFFFAOYSA-N 2 0 374.481 3.030 20 0 FGADRP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)c2ccccc2CC[NH3+])CC1 ZINC000580900313 505864188 /nfs/dbraw/zinc/86/41/88/505864188.db2.gz NPJZQGLFINVYPN-KRWDZBQOSA-N 2 0 351.494 3.143 20 0 FGADRP CC(C)[NH+]1CCN(CCC[N@H+](C)Cc2csc(Br)c2)CC1 ZINC000191460738 496769836 /nfs/dbraw/zinc/76/98/36/496769836.db2.gz AGIDAVYMOQCCAE-UHFFFAOYSA-N 2 0 374.392 3.359 20 0 FGADRP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000247074117 496771236 /nfs/dbraw/zinc/77/12/36/496771236.db2.gz OSPHATGSVCMRKR-JRGCBEDISA-N 2 0 372.557 3.384 20 0 FGADRP COc1ccccc1[C@H](O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000268767938 496778653 /nfs/dbraw/zinc/77/86/53/496778653.db2.gz COFXEWPKBHMVES-DUXKGJEZSA-N 2 0 354.494 3.229 20 0 FGADRP CC[NH+](CC)Cc1cccc(CNC(=O)N(C)[C@H](C)C2CC[NH+](C)CC2)c1 ZINC000273346307 496779995 /nfs/dbraw/zinc/77/99/95/496779995.db2.gz BUYJLANAHSPBPT-GOSISDBHSA-N 2 0 374.573 3.400 20 0 FGADRP C[C@H]([NH2+]Cc1cccc(C(=O)N(C)C)c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000268783335 496784462 /nfs/dbraw/zinc/78/44/62/496784462.db2.gz YTFFPSVYBCJVJQ-KRWDZBQOSA-N 2 0 369.509 3.180 20 0 FGADRP CC1CC[NH+](CCCC[NH2+][C@@H]2CCN(Cc3ccccn3)C[C@H]2C)CC1 ZINC000247137464 496789726 /nfs/dbraw/zinc/78/97/26/496789726.db2.gz SBZKHXOPJYUMOL-IFMALSPDSA-N 2 0 358.574 3.394 20 0 FGADRP CC[N@@H+](CC(=O)N[C@H]1CCCC[C@H]1C)CC1CCN(c2ccccn2)CC1 ZINC000247204646 496804054 /nfs/dbraw/zinc/80/40/54/496804054.db2.gz CDUUULSRJOBWGF-QUCCMNQESA-N 2 0 372.557 3.315 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCC1([NH+]2CCCC2)CCOCC1 ZINC000268872330 496810825 /nfs/dbraw/zinc/81/08/25/496810825.db2.gz KSNYIKBDHIEFSL-IFMALSPDSA-N 2 0 371.569 3.132 20 0 FGADRP C[C@H]([NH2+]C(C)(C)CNC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1)c1ccccc1 ZINC000247315677 496832953 /nfs/dbraw/zinc/83/29/53/496832953.db2.gz VTULSGVSZYKYRM-YSIASYRMSA-N 2 0 372.557 3.242 20 0 FGADRP CCCOc1ccc([C@@H](C)[NH2+]C[C@@H]2CN(C)CCN2C)cc1OCCC ZINC000268960981 496835972 /nfs/dbraw/zinc/83/59/72/496835972.db2.gz XEUHEKOEVPCODO-IEBWSBKVSA-N 2 0 363.546 3.161 20 0 FGADRP CCn1nc(C)c(CNc2ccc(N3CCC([NH+](C)C)CC3)cn2)c1C ZINC000269166730 496884956 /nfs/dbraw/zinc/88/49/56/496884956.db2.gz XEQQCPJSEKPYFU-UHFFFAOYSA-N 2 0 356.518 3.057 20 0 FGADRP CCC1(CNC(=O)N[C@@H](C)C[C@H](C)[NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000572034083 505874195 /nfs/dbraw/zinc/87/41/95/505874195.db2.gz XLTCMKLOBKNWGH-ROUUACIJSA-N 2 0 360.546 3.104 20 0 FGADRP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC000269678365 496988547 /nfs/dbraw/zinc/98/85/47/496988547.db2.gz ZGLMWPORJZTJNM-LAUBAEHRSA-N 2 0 370.541 3.130 20 0 FGADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N[C@H](C)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000248397841 496993631 /nfs/dbraw/zinc/99/36/31/496993631.db2.gz IGLTUUGPVUMWHE-CEXWTWQISA-N 2 0 364.578 3.203 20 0 FGADRP C[C@H](NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000248396770 496994638 /nfs/dbraw/zinc/99/46/38/496994638.db2.gz HHTBEBWYFKHURI-FHWLQOOXSA-N 2 0 361.574 3.410 20 0 FGADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H](O)COc2ccccc2C(F)(F)F)[C@H](C)C1 ZINC000248460829 497019934 /nfs/dbraw/zinc/01/99/34/497019934.db2.gz OSSYWKASULIJAE-INMHGKMJSA-N 2 0 374.447 3.107 20 0 FGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(-n3ccnc3)cc2C)[C@H](C)C1 ZINC000192193901 497029118 /nfs/dbraw/zinc/02/91/18/497029118.db2.gz SGOSEKVBRZWKIX-DENIHFKCSA-N 2 0 370.541 3.407 20 0 FGADRP CCC[N@H+](C)C[C@@H]1CCN(C[C@@H](O)COc2cc(C)ccc2Cl)C1 ZINC000248546737 497035192 /nfs/dbraw/zinc/03/51/92/497035192.db2.gz DYDVITPJFDFXFN-DLBZAZTESA-N 2 0 354.922 3.052 20 0 FGADRP C[C@H]([NH2+]C[C@@H](O)COc1cccc2[nH]ccc21)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248585285 497048180 /nfs/dbraw/zinc/04/81/80/497048180.db2.gz PWGWUPIOVBYTFS-JENIJYKNSA-N 2 0 371.525 3.150 20 0 FGADRP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]C2CCC(N3C(=O)c4ccccc4C3=O)CC2)C1 ZINC000189272950 497066018 /nfs/dbraw/zinc/06/60/18/497066018.db2.gz ZGDNUWSXWMGQAO-GPQLOAJWSA-N 2 0 369.509 3.056 20 0 FGADRP O=C(Nc1cccc2c1CC[NH2+]C2)c1ccc(C[NH+]2CCSCC2)cc1 ZINC000578191369 505883060 /nfs/dbraw/zinc/88/30/60/505883060.db2.gz GUMUQJRLCRCCGY-UHFFFAOYSA-N 2 0 367.518 3.133 20 0 FGADRP CCN(CCC[NH+](C)C)C(=O)N[C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000248702020 497082000 /nfs/dbraw/zinc/08/20/00/497082000.db2.gz NCPIWKNZNDPDCS-KXTWHKPSSA-N 2 0 374.573 3.126 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1CCCNC(=O)NC[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000248761841 497100389 /nfs/dbraw/zinc/10/03/89/497100389.db2.gz QSOUGYXQNGIWSL-TZIWHRDSSA-N 2 0 372.557 3.072 20 0 FGADRP COc1cccc2c1CC[C@H]([NH2+]Cc1ccc(OCC[NH+](C)C)cc1)C2 ZINC000192439514 497114456 /nfs/dbraw/zinc/11/44/56/497114456.db2.gz FNCXESGPATYBSL-IBGZPJMESA-N 2 0 354.494 3.283 20 0 FGADRP C[C@H](c1cccc(NC(=O)NCC[N@H+](C)C2CCCC2)c1)N1CCOCC1 ZINC000265411531 497114899 /nfs/dbraw/zinc/11/48/99/497114899.db2.gz UOYWXRSWRJQMTJ-QGZVFWFLSA-N 2 0 374.529 3.076 20 0 FGADRP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)c1cc(Cl)c(N)c(Cl)c1 ZINC000270414765 497122841 /nfs/dbraw/zinc/12/28/41/497122841.db2.gz CVFKPYUJDXQPDA-TZMCWYRMSA-N 2 0 360.329 3.463 20 0 FGADRP COc1ccc([C@@H](CNC2C[C@H]3CC[C@@H](C2)[N@H+]3C)[NH+]2CCCCC2)cc1 ZINC000248876957 497123603 /nfs/dbraw/zinc/12/36/03/497123603.db2.gz JQUXFWDQWXSOGS-RKKYOWQMSA-N 2 0 357.542 3.437 20 0 FGADRP CC(C)[C@H](CNC(=O)C1(c2ccccc2)CC[NH2+]CC1)[NH+]1CCC(C)CC1 ZINC000236650479 497126527 /nfs/dbraw/zinc/12/65/27/497126527.db2.gz BHIXCXDBTOXQOD-NRFANRHFSA-N 2 0 371.569 3.181 20 0 FGADRP CC1CC[NH+](Cc2ccc(CNC(=O)[C@@H]3C[C@@H]4CCCC[C@@H]4[NH2+]3)cc2)CC1 ZINC000236721243 497136878 /nfs/dbraw/zinc/13/68/78/497136878.db2.gz WAWCCXQSKSGFGT-FKBYEOEOSA-N 2 0 369.553 3.455 20 0 FGADRP CCC[NH+]1CCN(c2ccccc2CN[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000236803935 497149211 /nfs/dbraw/zinc/14/92/11/497149211.db2.gz ADZOPEXJRWMQOZ-NHCUHLMSSA-N 2 0 358.574 3.181 20 0 FGADRP C[C@@H]1C[C@@H](N(C)C(=O)C2CC[NH+](C3CC3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000192582449 497157284 /nfs/dbraw/zinc/15/72/84/497157284.db2.gz KSKLUITWIFSOGF-GCJKJVERSA-N 2 0 369.553 3.372 20 0 FGADRP C[NH+](C)CCOc1ccc(NC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1Cl ZINC000236974028 497174372 /nfs/dbraw/zinc/17/43/72/497174372.db2.gz GSMASBOTJKRTDF-GOOCMWNKSA-N 2 0 365.905 3.140 20 0 FGADRP Cc1cc(C(C)(C)C)ccc1OC[C@H](O)C[NH2+]C1CCC([NH+](C)C)CC1 ZINC000581007425 505889062 /nfs/dbraw/zinc/88/90/62/505889062.db2.gz OGGHOLPBJPOXGO-SOAGJPPSSA-N 2 0 362.558 3.495 20 0 FGADRP COC[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H](C)C1)C1CCOCC1 ZINC000249169628 497177952 /nfs/dbraw/zinc/17/79/52/497177952.db2.gz APGJQGGMMYPFKC-XMSQKQJNSA-N 2 0 360.542 3.450 20 0 FGADRP C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)C2CC[NH+](C3CC3)CC2)CC1 ZINC000278655415 497180119 /nfs/dbraw/zinc/18/01/19/497180119.db2.gz MHWPIBJCLIAOKZ-UHFFFAOYSA-N 2 0 369.553 3.231 20 0 FGADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cc1 ZINC000274846571 497180880 /nfs/dbraw/zinc/18/08/80/497180880.db2.gz VASFAVUFWIMASR-INIZCTEOSA-N 2 0 360.546 3.322 20 0 FGADRP COc1ccccc1[C@@H](CNC(=O)C[C@@H]([NH3+])c1ccccc1)[NH+]1CCCC1 ZINC000237199350 497203481 /nfs/dbraw/zinc/20/34/81/497203481.db2.gz YPWANWBWTXLENA-WOJBJXKFSA-N 2 0 367.493 3.038 20 0 FGADRP C[C@@H](CC(=O)N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1)C1CC[NH2+]CC1 ZINC000237376612 497227414 /nfs/dbraw/zinc/22/74/14/497227414.db2.gz RXZGIRIITWWKLC-OALUTQOASA-N 2 0 357.542 3.135 20 0 FGADRP CC(C)[NH+]1CCN(CCC[NH2+][C@H]2CCO[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000192848414 497229666 /nfs/dbraw/zinc/22/96/66/497229666.db2.gz PRQBQEWWNUODCK-VQTJNVASSA-N 2 0 365.949 3.176 20 0 FGADRP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@H]2Cc3ccccc3C[NH2+]2)CC1 ZINC000237455733 497239643 /nfs/dbraw/zinc/23/96/43/497239643.db2.gz VODDTUVVUNVOMZ-VGOFRKELSA-N 2 0 363.505 3.043 20 0 FGADRP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)c1ccc(C[NH3+])cc1 ZINC000237520866 497249742 /nfs/dbraw/zinc/24/97/42/497249742.db2.gz BBCFNZPSPAAFCZ-KRWDZBQOSA-N 2 0 351.494 3.450 20 0 FGADRP C[C@H](C(=O)NCc1ccc(N2CCCCCC2)nc1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000249857876 497252959 /nfs/dbraw/zinc/25/29/59/497252959.db2.gz DYFSTKXAOUAOCD-FGTMMUONSA-N 2 0 358.530 3.340 20 0 FGADRP Cc1cc(NC(=O)C[C@@H](C)C2CC[NH2+]CC2)ccc1OCC[NH+]1CCCC1 ZINC000237560618 497256003 /nfs/dbraw/zinc/25/60/03/497256003.db2.gz GUXYUWQMOLZVJT-QGZVFWFLSA-N 2 0 373.541 3.434 20 0 FGADRP Cc1ccccc1C[NH+]1CCC(NC(=O)[C@@H](C)[C@H]([NH3+])c2ccccc2)CC1 ZINC000237563830 497256121 /nfs/dbraw/zinc/25/61/21/497256121.db2.gz OEWYWIWWOOZMSH-AVRDEDQJSA-N 2 0 365.521 3.412 20 0 FGADRP C[C@H](CC(=O)N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000237577681 497258045 /nfs/dbraw/zinc/25/80/45/497258045.db2.gz VGVGVDJNQNAQMX-SFHLNBCPSA-N 2 0 357.542 3.135 20 0 FGADRP Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)[C@H](C[NH3+])c1ccccc1 ZINC000237592262 497259949 /nfs/dbraw/zinc/25/99/49/497259949.db2.gz AFBXDVPZYUPFFF-LJQANCHMSA-N 2 0 369.534 3.225 20 0 FGADRP C[C@@H]1C[C@H](NC(=O)[C@@H]2CCCCCC[C@@H]2[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000237588941 497260488 /nfs/dbraw/zinc/26/04/88/497260488.db2.gz XJHOCHLDPSYLMW-WLRLJWMZSA-N 2 0 357.542 3.453 20 0 FGADRP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N(C)CC2([NH+](C)C)CCC2)CC1 ZINC000189864355 497273117 /nfs/dbraw/zinc/27/31/17/497273117.db2.gz NQRGNBQENZKVQK-GOSISDBHSA-N 2 0 372.557 3.338 20 0 FGADRP O=C(CN1CCC(c2ncc3n2CCCC3)CC1)Nc1ccc(F)cc1F ZINC000278976432 497288816 /nfs/dbraw/zinc/28/88/16/497288816.db2.gz YLRYGCVGYSTSSA-UHFFFAOYSA-N 2 0 374.435 3.316 20 0 FGADRP [NH3+][C@@H](Cc1ccccc1)C(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000237802897 497293237 /nfs/dbraw/zinc/29/32/37/497293237.db2.gz BXZOOBUVMZUBID-VQTJNVASSA-N 2 0 371.912 3.163 20 0 FGADRP O=C(N1CC[NH+](CC2CCCCC2)CC1)C1(c2ccccc2)CC[NH2+]CC1 ZINC000237905516 497311194 /nfs/dbraw/zinc/31/11/94/497311194.db2.gz COXSFZBMGLODHD-UHFFFAOYSA-N 2 0 369.553 3.032 20 0 FGADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NC[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000245404882 497389480 /nfs/dbraw/zinc/38/94/80/497389480.db2.gz QWVZSPWGAPWKJM-MOPGFXCFSA-N 2 0 374.573 3.400 20 0 FGADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCCC[NH+]2Cc2ccccc2)C1 ZINC000245439029 497406753 /nfs/dbraw/zinc/40/67/53/497406753.db2.gz SMPNXZSLEAKSQP-LEWJYISDSA-N 2 0 357.542 3.231 20 0 FGADRP C[NH+](C)CCc1ccccc1NC(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000275720939 497412239 /nfs/dbraw/zinc/41/22/39/497412239.db2.gz VXAHDEONTFYMQI-UHFFFAOYSA-N 2 0 372.488 3.313 20 0 FGADRP C[C@H](NC(=O)[C@@H]([NH3+])CC1CCCCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261585064 497415999 /nfs/dbraw/zinc/41/59/99/497415999.db2.gz IFYJXGGEBCJGFN-WMQCIHAUSA-N 2 0 357.542 3.311 20 0 FGADRP CN(C(=O)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000261607231 497418958 /nfs/dbraw/zinc/41/89/58/497418958.db2.gz ROLSWYLQZKYVPU-NRSPTQNISA-N 2 0 355.526 3.030 20 0 FGADRP O=C(NC[C@H]1CCCN(Cc2cc(Cl)ccc2Cl)C1)[C@H]1CCC[NH2+]1 ZINC000261626339 497422658 /nfs/dbraw/zinc/42/26/58/497422658.db2.gz GSPIFMSELBLGGN-CXAGYDPISA-N 2 0 370.324 3.074 20 0 FGADRP CCc1ccc([C@@H](CNC(=O)NC2CC[NH+](CC3CC3)CC2)[NH+](C)C)cc1 ZINC000193618791 497429607 /nfs/dbraw/zinc/42/96/07/497429607.db2.gz QRGXPYOBPJSLNJ-OAQYLSRUSA-N 2 0 372.557 3.025 20 0 FGADRP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)CC[C@H]2CC[NH2+]C2)C1 ZINC000261778583 497449839 /nfs/dbraw/zinc/44/98/39/497449839.db2.gz JHTVPIVHUDUKRU-QRVBRYPASA-N 2 0 357.542 3.170 20 0 FGADRP c1ccc(N2CCN(C[C@H]3CCC[N@H+](C[C@@H]4CC=CCC4)C3)CC2)nc1 ZINC000245553163 497452405 /nfs/dbraw/zinc/45/24/05/497452405.db2.gz DYVMCUJLQMOJLR-NHCUHLMSSA-N 2 0 354.542 3.272 20 0 FGADRP COc1ccc([C@H](C)C[NH+]2CCN(C3CC[NH+](C(C)C)CC3)CC2)cc1 ZINC000271815324 497459217 /nfs/dbraw/zinc/45/92/17/497459217.db2.gz MMZJRSZUZHDNJJ-LJQANCHMSA-N 2 0 359.558 3.289 20 0 FGADRP C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]CC1=CC[N@H+](C)CC1 ZINC000271842350 497467324 /nfs/dbraw/zinc/46/73/24/497467324.db2.gz GXWFFPHPXUEADM-ZDUSSCGKSA-N 2 0 366.303 3.018 20 0 FGADRP O=C(CC[C@@H]1CC[NH2+]C1)N1CC[N@H+](Cc2ccccc2)C2(CCCCC2)C1 ZINC000261892568 497469748 /nfs/dbraw/zinc/46/97/48/497469748.db2.gz UFDMOXIWRBCOII-HXUWFJFHSA-N 2 0 369.553 3.423 20 0 FGADRP C[C@@H]1CC[N@@H+]([C@H]2CCCN(c3ccccc3F)C2=O)C[C@H]1n1ccnc1 ZINC000245611904 497474055 /nfs/dbraw/zinc/47/40/55/497474055.db2.gz OGMUMTHAQJGQSD-AYOQOUSVSA-N 2 0 356.445 3.101 20 0 FGADRP CC[C@H](c1ccncc1)[N@H+](C)C[C@@H](O)Cn1cnc2cc(C)c(C)cc21 ZINC000245612691 497474067 /nfs/dbraw/zinc/47/40/67/497474067.db2.gz LSVGTJBZMAWQEO-UYAOXDASSA-N 2 0 352.482 3.492 20 0 FGADRP CCC(CC)(C[NH3+])C(=O)Nc1ccc(NC(=O)C[NH+]2CCCCCC2)cc1 ZINC000261915336 497476339 /nfs/dbraw/zinc/47/63/39/497476339.db2.gz YTTJHYDDQQSLTM-UHFFFAOYSA-N 2 0 374.529 3.205 20 0 FGADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](CCC(=O)Nc3c(Cl)cccc3Cl)C[C@H]21 ZINC000261928601 497477134 /nfs/dbraw/zinc/47/71/34/497477134.db2.gz SLJXGHOEALIYDJ-YWPYICTPSA-N 2 0 356.297 3.381 20 0 FGADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](CCC(=O)Nc3c(Cl)cccc3Cl)C[C@@H]21 ZINC000261928589 497477327 /nfs/dbraw/zinc/47/73/27/497477327.db2.gz SLJXGHOEALIYDJ-SLEUVZQESA-N 2 0 356.297 3.381 20 0 FGADRP CCN(CC)C(=O)CCC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000245664423 497492555 /nfs/dbraw/zinc/49/25/55/497492555.db2.gz GJZRIGNUQADAGK-MZADTFQBSA-N 2 0 357.542 3.420 20 0 FGADRP C[NH2+]CCC1CC[NH+]([C@H](C)C(=O)Nc2ccc(Br)cc2)CC1 ZINC000262022991 497494075 /nfs/dbraw/zinc/49/40/75/497494075.db2.gz YOVXOHIILJDIMV-CYBMUJFWSA-N 2 0 368.319 3.098 20 0 FGADRP NC(=O)Nc1ccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cc1 ZINC000245742147 497523951 /nfs/dbraw/zinc/52/39/51/497523951.db2.gz RTEBYFURQRTKST-MZADTFQBSA-N 2 0 364.493 3.462 20 0 FGADRP C[C@H]1CCCC[N@@H+]1CCCNC(=O)NC[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000193932371 497524463 /nfs/dbraw/zinc/52/44/63/497524463.db2.gz QSOUGYXQNGIWSL-FPOVZHCZSA-N 2 0 372.557 3.072 20 0 FGADRP CC(C)[C@H](C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)N1CCOCC1 ZINC000245759890 497530624 /nfs/dbraw/zinc/53/06/24/497530624.db2.gz VKQQDVNHMYMNAX-BJESRGMDSA-N 2 0 371.569 3.128 20 0 FGADRP C[N@@H+]1CCC[C@H](CNC2=[NH+]CCCN2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000262277933 497533011 /nfs/dbraw/zinc/53/30/11/497533011.db2.gz KDRXWUVVQJBRPN-GDBMZVCRSA-N 2 0 354.420 3.027 20 0 FGADRP C[C@@H]1C[N@@H+](Cc2ccc(C[NH2+][C@@H]3[C@H]4CCO[C@H]4C34CCC4)cc2)C[C@H](C)O1 ZINC000193958307 497533390 /nfs/dbraw/zinc/53/33/90/497533390.db2.gz XMQFXLVLQYMZJE-MPMRWZLSSA-N 2 0 370.537 3.343 20 0 FGADRP Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)C[C@@H]1CCCC[C@H]1[NH3+] ZINC000575062679 505913168 /nfs/dbraw/zinc/91/31/68/505913168.db2.gz YJZKPZXMVHTUMS-FUHWJXTLSA-N 2 0 361.555 3.390 20 0 FGADRP CNC(=O)c1ccc(C[NH2+][C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000272137034 497545308 /nfs/dbraw/zinc/54/53/08/497545308.db2.gz ARHWQELWLHQUOI-DYESRHJHSA-N 2 0 351.494 3.046 20 0 FGADRP C[NH+](C)[C@@H](CNC(=O)C[N@@H+]1CCC[C@H]1c1cccs1)c1ccccc1 ZINC000245873701 497556434 /nfs/dbraw/zinc/55/64/34/497556434.db2.gz AGSGFORHWGVTLT-ROUUACIJSA-N 2 0 357.523 3.304 20 0 FGADRP O=C(OCc1ccccc1)N1CCC([NH2+]C2CC[NH+](C3CCC3)CC2)CC1 ZINC000279835201 497557830 /nfs/dbraw/zinc/55/78/30/497557830.db2.gz CLBGYIGKCJKADB-UHFFFAOYSA-N 2 0 371.525 3.394 20 0 FGADRP COc1ccc([C@H]([NH2+]CCCN2CCC[N@H+](C)CC2)c2ccccc2)cc1 ZINC000245890113 497561778 /nfs/dbraw/zinc/56/17/78/497561778.db2.gz CDNFVMJDRLCSLS-HSZRJFAPSA-N 2 0 367.537 3.402 20 0 FGADRP CC[NH+](CC)CCN(Cc1cccs1)C(=O)C[C@H](C)C1CC[NH2+]CC1 ZINC000262657819 497593123 /nfs/dbraw/zinc/59/31/23/497593123.db2.gz VOAQRTJTSYUYSV-KRWDZBQOSA-N 2 0 365.587 3.444 20 0 FGADRP Cc1ccc([C@@H](N)C(=O)N2CC[C@@H](C)[N@@H+](Cc3ccccc3)CC2)cc1 ZINC000262656042 497593296 /nfs/dbraw/zinc/59/32/96/497593296.db2.gz MIMUULQJDLLERD-WIYYLYMNSA-N 2 0 351.494 3.118 20 0 FGADRP C[C@H](C(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1)[C@H]([NH3+])c1ccccc1 ZINC000262663096 497594588 /nfs/dbraw/zinc/59/45/88/497594588.db2.gz ZQISNWRFYKZXBV-ZJOUEHCJSA-N 2 0 357.542 3.437 20 0 FGADRP C[C@H]([NH2+]C[C@H]1CN(c2ccccc2)CCO1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000578334211 505917413 /nfs/dbraw/zinc/91/74/13/505917413.db2.gz CZKOWRIZTIJJFT-JQVVWYNYSA-N 2 0 357.542 3.134 20 0 FGADRP CO[C@@H](C)c1noc(CN2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)n1 ZINC000246119199 497627898 /nfs/dbraw/zinc/62/78/98/497627898.db2.gz YJHKJBJTFBORIH-HOTGVXAUSA-N 2 0 350.507 3.254 20 0 FGADRP O=C(CC[NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1)Nc1cccc(F)c1 ZINC000572235948 505921979 /nfs/dbraw/zinc/92/19/79/505921979.db2.gz PGUXZZUOPYBMMT-IBGZPJMESA-N 2 0 369.484 3.309 20 0 FGADRP CN(CCC[N@H+](C)Cc1cnc(-c2ccsc2)s1)CC[NH+](C)C ZINC000581158725 505922833 /nfs/dbraw/zinc/92/28/33/505922833.db2.gz CSSFIUVDRRRXFL-UHFFFAOYSA-N 2 0 352.573 3.187 20 0 FGADRP COc1cccc2c1CC[C@H]2[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000272730711 497714276 /nfs/dbraw/zinc/71/42/76/497714276.db2.gz ILBQXRNQKYHDJP-DENIHFKCSA-N 2 0 366.505 3.429 20 0 FGADRP C[C@]1([NH3+])CCCC[C@@H]1C(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000263222649 497736326 /nfs/dbraw/zinc/73/63/26/497736326.db2.gz MEYQEOQFZBWGRG-QUCCMNQESA-N 2 0 363.933 3.328 20 0 FGADRP C[C@@H](NC(=O)[C@@H](C)[NH+]1CCC(C[NH+]2CCCC2)CC1)c1ccc(F)cc1 ZINC000194733724 497752864 /nfs/dbraw/zinc/75/28/64/497752864.db2.gz SZJSZUKKEKVHSQ-IAGOWNOFSA-N 2 0 361.505 3.199 20 0 FGADRP C[C@]1([NH3+])CCCC[C@@H]1C(=O)Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1 ZINC000263315541 497756152 /nfs/dbraw/zinc/75/61/52/497756152.db2.gz ZKKHEEDYQKEFFY-IRLDBZIGSA-N 2 0 370.541 3.065 20 0 FGADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000246546018 497769783 /nfs/dbraw/zinc/76/97/83/497769783.db2.gz WWPAWKMESDBCEW-YADHBBJMSA-N 2 0 371.569 3.383 20 0 FGADRP CN(C(=O)c1cccc(C[N@H+](C)Cc2ccccc2)c1)C1CC[NH+](C)CC1 ZINC000194802306 497776596 /nfs/dbraw/zinc/77/65/96/497776596.db2.gz DMVCKOGJLAAGQA-UHFFFAOYSA-N 2 0 365.521 3.485 20 0 FGADRP C[C@H]1CN(Cc2ccccn2)CC[C@H]1[NH2+]CCOc1ccc(F)c(F)c1 ZINC000246589517 497783800 /nfs/dbraw/zinc/78/38/00/497783800.db2.gz ZHBUPQKRRKVSFP-MGPUTAFESA-N 2 0 361.436 3.239 20 0 FGADRP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@@H](c3ccccc3)[C@H](C)C2)CC1 ZINC000246610934 497788691 /nfs/dbraw/zinc/78/86/91/497788691.db2.gz GRKFBJQSNYRZPH-WIYYLYMNSA-N 2 0 357.542 3.101 20 0 FGADRP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)NC[C@H](c2cccs2)[NH+](C)C)C1 ZINC000246724080 497804385 /nfs/dbraw/zinc/80/43/85/497804385.db2.gz VJUGHGSZYDOKFO-DLBZAZTESA-N 2 0 366.575 3.018 20 0 FGADRP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)C1 ZINC000246855391 497816819 /nfs/dbraw/zinc/81/68/19/497816819.db2.gz FKZXHXGLOMWFIP-PZJWPPBQSA-N 2 0 372.557 3.101 20 0 FGADRP C[C@H](C(=O)N[C@@H](C)c1ccc(Cl)cc1)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000246867142 497817555 /nfs/dbraw/zinc/81/75/55/497817555.db2.gz KWYANZUMSFDNCL-XHSDSOJGSA-N 2 0 351.922 3.179 20 0 FGADRP CSc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H]2Cn2ccnc2C)cc1 ZINC000246924691 497820528 /nfs/dbraw/zinc/82/05/28/497820528.db2.gz GUCHSJKRJXRDIY-PBHICJAKSA-N 2 0 358.511 3.405 20 0 FGADRP C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)C[C@H]2CCC[NH2+]CC2)CC1 ZINC000364212733 497842721 /nfs/dbraw/zinc/84/27/21/497842721.db2.gz KPKBATVZCMOOAQ-IBGZPJMESA-N 2 0 357.542 3.137 20 0 FGADRP CC(C)[NH+]1CCN(C2CC[NH+](Cc3ccccc3OC3CC3)CC2)CC1 ZINC000295896785 497845145 /nfs/dbraw/zinc/84/51/45/497845145.db2.gz CDGKUWOYFVHEFR-UHFFFAOYSA-N 2 0 357.542 3.218 20 0 FGADRP CCO[C@@H]1C[C@H]([NH2+]C[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)C12CCOCC2 ZINC000364234203 497851959 /nfs/dbraw/zinc/85/19/59/497851959.db2.gz BNYCVMHRYMSLMV-MHTWAQMVSA-N 2 0 358.526 3.243 20 0 FGADRP CC[NH+]1CCC(CC[NH2+]C[C@@H](O)CO[C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000578435516 505939153 /nfs/dbraw/zinc/93/91/53/505939153.db2.gz FYGQRFCMFIWOLN-OXJNMPFZSA-N 2 0 368.949 3.490 20 0 FGADRP c1cncc([C@@H]([NH2+]CCCN2CCN(c3cc[nH+]cc3)CC2)C2CCC2)c1 ZINC000280752721 497883377 /nfs/dbraw/zinc/88/33/77/497883377.db2.gz DVWNAJRPERZKAM-QFIPXVFZSA-N 2 0 365.525 3.120 20 0 FGADRP CN1C(=O)CCc2cc(C[NH2+]C[C@@H]3CC[N@H+](C)[C@@H]3c3cccs3)ccc21 ZINC000364311394 497892134 /nfs/dbraw/zinc/89/21/34/497892134.db2.gz BLLQXOKITLVMMI-UWJYYQICSA-N 2 0 369.534 3.440 20 0 FGADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@H]1CCc2nnc(-c3ccc(F)cc3)n2C1 ZINC000569474130 505943989 /nfs/dbraw/zinc/94/39/89/505943989.db2.gz VUAQEQCNMBNAHG-LZQZEXGQSA-N 2 0 371.504 3.299 20 0 FGADRP C[NH+](C)CCN(CC[NH+](C)C)Cc1ccc(Cl)c(Br)c1 ZINC000578470253 505947264 /nfs/dbraw/zinc/94/72/64/505947264.db2.gz WJNAWJUEFRSUPY-UHFFFAOYSA-N 2 0 362.743 3.028 20 0 FGADRP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](CC[C@H](C)OCc3ccccc3)C2)CC1 ZINC000572356133 505948685 /nfs/dbraw/zinc/94/86/85/505948685.db2.gz KZTZWXXIEPBUDO-RBBKRZOGSA-N 2 0 359.558 3.082 20 0 FGADRP Cn1cncc1CC[NH2+][C@@H]1CCCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000578479529 505949459 /nfs/dbraw/zinc/94/94/59/505949459.db2.gz OBVRGCCUXWEZAD-CEMLEFRQSA-N 2 0 352.526 3.243 20 0 FGADRP COc1ccc(-c2nc(CN3CC[C@@]4(CC[N@H+](C)C4)C3)cs2)cc1OC ZINC000292272574 497947782 /nfs/dbraw/zinc/94/77/82/497947782.db2.gz ZUNBVFOTLWJTIB-HXUWFJFHSA-N 2 0 373.522 3.355 20 0 FGADRP Cc1cccc(N2CC[NH+](CCCC[NH2+][C@H]3C[C@@H](C)n4ccnc43)CC2)c1 ZINC000296186265 497948436 /nfs/dbraw/zinc/94/84/36/497948436.db2.gz YIAFMAOJOXFVRB-CTNGQTDRSA-N 2 0 367.541 3.389 20 0 FGADRP C[C@@H](CC(=O)N1CCN(Cc2ccccc2Cl)CC1)[C@@H]1CCC[NH2+]C1 ZINC000572400819 505959770 /nfs/dbraw/zinc/95/97/70/505959770.db2.gz CLEBUDUQFJJYBW-DLBZAZTESA-N 2 0 363.933 3.010 20 0 FGADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+]CCCN2CCC[NH+](C)CC2)CC1 ZINC000281019974 497990275 /nfs/dbraw/zinc/99/02/75/497990275.db2.gz OFYYAKGVQJSEHZ-UHFFFAOYSA-N 3 0 372.601 3.047 20 0 FGADRP C[N@@H+]1CCN(CCC[NH2+][C@H]2CCOC3(CCC3)C2)[C@@H](c2ccccc2)C1 ZINC000296398015 498027477 /nfs/dbraw/zinc/02/74/77/498027477.db2.gz LKGXTGHLQZBPSR-LEWJYISDSA-N 2 0 357.542 3.057 20 0 FGADRP CC1(C[NH2+]Cc2ccccc2C[NH+]2CCN(c3ccccc3)CC2)COC1 ZINC000285324575 498052115 /nfs/dbraw/zinc/05/21/15/498052115.db2.gz BHTUMTQBUKWQCT-UHFFFAOYSA-N 2 0 365.521 3.135 20 0 FGADRP C[NH+](C/C=C/C[N@@H+](C)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000364631951 498059598 /nfs/dbraw/zinc/05/95/98/498059598.db2.gz QCJBUMWYBXTERT-IRSMIETPSA-N 2 0 362.558 3.033 20 0 FGADRP C[C@H](C(=O)N1CCSc2ccccc21)N1CCC[C@H](c2ncc[nH]2)C1 ZINC000330254354 498080578 /nfs/dbraw/zinc/08/05/78/498080578.db2.gz JLELJJGVHPYDIP-CABCVRRESA-N 2 0 356.495 3.117 20 0 FGADRP C[C@H]([NH3+])C[C@H](C)NC(=O)NCc1ccc(C[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000578647715 505989272 /nfs/dbraw/zinc/98/92/72/505989272.db2.gz DLCOOACNZRNICR-XSLAGTTESA-N 2 0 360.546 3.090 20 0 FGADRP CCn1nc(C[NH2+]CC2(N3CCCCC3)CC[NH+](C)CC2)c2ccccc21 ZINC000364845992 498169706 /nfs/dbraw/zinc/16/97/06/498169706.db2.gz ZEKLBOIZKLXIKT-UHFFFAOYSA-N 2 0 369.557 3.096 20 0 FGADRP C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]([NH3+])C(C)(C)C)[C@H]1c1cccc(Cl)c1 ZINC000364853527 498174547 /nfs/dbraw/zinc/17/45/47/498174547.db2.gz ZVIXKSWSHXQPNP-USXIJHARSA-N 2 0 351.922 3.213 20 0 FGADRP C[C@H]([NH2+][C@@H]1CCC[C@@H](N2CCCC2=O)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000569743614 506005493 /nfs/dbraw/zinc/00/54/93/506005493.db2.gz BRJWJUHWQPYDLW-VXSCBNMQSA-N 2 0 369.553 3.420 20 0 FGADRP CCS(=O)(=O)c1c(Cl)cccc1C[NH2+]CCCCC[NH+]1CCCC1 ZINC000292921366 498197564 /nfs/dbraw/zinc/19/75/64/498197564.db2.gz GEWGLUGHAQQGHZ-UHFFFAOYSA-N 2 0 372.962 3.489 20 0 FGADRP Cc1nn(C)c(C)c1C[NH2+][C@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21 ZINC000360253053 498260152 /nfs/dbraw/zinc/26/01/52/498260152.db2.gz GAPGRTYZVPKXRA-IBGZPJMESA-N 2 0 354.498 3.115 20 0 FGADRP OC1CC[NH+](Cc2ccccc2C[NH2+][C@@H]2CCCC[C@@H]2[C@@H]2CCOC2)CC1 ZINC000365063806 498278919 /nfs/dbraw/zinc/27/89/19/498278919.db2.gz BDTQTRCMCLDIAT-YMPZKCBVSA-N 2 0 372.553 3.328 20 0 FGADRP Cc1cccc2[nH]cc(CC[NH2+][C@@H]3CC[N@@H+](C[C@H]4CCCO4)C[C@H]3C)c21 ZINC000360873454 498319044 /nfs/dbraw/zinc/31/90/44/498319044.db2.gz WWOKOWVKEWNHLI-MISYRCLQSA-N 2 0 355.526 3.498 20 0 FGADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+]CCCC[NH+]2CCC[C@H]2CO)CC1 ZINC000286253686 498340392 /nfs/dbraw/zinc/34/03/92/498340392.db2.gz UOIGMKBQRGPJGR-VNXZQDSDSA-N 3 0 373.585 3.256 20 0 FGADRP C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)NC[C@]2(C)CCC[NH2+]C2)c1 ZINC000575860652 506020334 /nfs/dbraw/zinc/02/03/34/506020334.db2.gz JYHRICKYIBIMBC-HSZRJFAPSA-N 2 0 365.521 3.438 20 0 FGADRP COc1ccc([C@@H](C)[NH2+]Cc2cccc(CN3CCO[C@H](C)C3)c2)cc1O ZINC000289961981 498371077 /nfs/dbraw/zinc/37/10/77/498371077.db2.gz XBDHMLAWCHJNHI-IAGOWNOFSA-N 2 0 370.493 3.472 20 0 FGADRP C[NH+]1CCC2(CC1)C[C@@H](NC[C@@H]1CC[N@@H+](C3CC3)C1)c1ccccc1O2 ZINC000361900787 498438707 /nfs/dbraw/zinc/43/87/07/498438707.db2.gz RIUCHQKBVGTOBT-FXAWDEMLSA-N 2 0 355.526 3.049 20 0 FGADRP C[C@]1(CNC(=O)Nc2ccc(C[NH3+])cc2)CCC[N@@H+]1Cc1ccccc1 ZINC000575971174 506045857 /nfs/dbraw/zinc/04/58/57/506045857.db2.gz LBPCOBZJGHQJAE-OAQYLSRUSA-N 2 0 352.482 3.322 20 0 FGADRP COc1ccc(C[NH+]2CCC(C[NH2+][C@@H]3C[C@@H](C)n4ccnc43)CC2)cc1 ZINC000297657092 498526705 /nfs/dbraw/zinc/52/67/05/498526705.db2.gz KLVLOMZISILZQW-OXQOHEQNSA-N 2 0 354.498 3.399 20 0 FGADRP CCO[C@@H](CC[NH+](C)C)C[NH2+]Cc1c(C)nc2scc(C3CC3)n12 ZINC000297700309 498540640 /nfs/dbraw/zinc/54/06/40/498540640.db2.gz QKOQYIWUSIQOPG-HNNXBMFYSA-N 2 0 350.532 3.028 20 0 FGADRP C[C@@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)c1cc(Cl)c(N)c(Cl)c1 ZINC000282512458 498540974 /nfs/dbraw/zinc/54/09/74/498540974.db2.gz ZDBFKAMUGJQSAP-GFCCVEGCSA-N 2 0 359.345 3.252 20 0 FGADRP COCCCOc1cccc(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000297716635 498546426 /nfs/dbraw/zinc/54/64/26/498546426.db2.gz RLOKYLBQILPEAI-UHFFFAOYSA-N 2 0 355.482 3.256 20 0 FGADRP COC[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1cccc(Cl)c1 ZINC000290554603 498594926 /nfs/dbraw/zinc/59/49/26/498594926.db2.gz DGEUSWLXWVBKIC-LEWJYISDSA-N 2 0 374.912 3.384 20 0 FGADRP CO[C@H](c1ccccc1)[C@@H](C)[NH2+][C@@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000569994365 506064168 /nfs/dbraw/zinc/06/41/68/506064168.db2.gz ZDWQFFQIELBURS-OIBXWCBGSA-N 2 0 367.537 3.341 20 0 FGADRP CC(C)(C)CC[NH+]1CCN(C(=O)NCC(C)(C)[NH+]2CCCCC2)CC1 ZINC000302962820 498634288 /nfs/dbraw/zinc/63/42/88/498634288.db2.gz MLUIEYCBCBCYRS-UHFFFAOYSA-N 2 0 352.567 3.014 20 0 FGADRP COc1ccc(-c2cnc(C[NH+]3CCC([C@H]4C[C@@H]([NH3+])CCO4)CC3)o2)cc1 ZINC000578983777 506067174 /nfs/dbraw/zinc/06/71/74/506067174.db2.gz PFBCEIAMUKCKHY-PKOBYXMFSA-N 2 0 371.481 3.069 20 0 FGADRP C[C@H](CNC(=O)NC[C@H](c1ccccc1)[NH+]1CCC(C)CC1)[N@H+](C)C1CC1 ZINC000303240095 498657063 /nfs/dbraw/zinc/65/70/63/498657063.db2.gz IZULLISGXOMYNB-WIYYLYMNSA-N 2 0 372.557 3.242 20 0 FGADRP CC[C@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1nnc2n1CCCCC2 ZINC000298235985 498704426 /nfs/dbraw/zinc/70/44/26/498704426.db2.gz BTPYTASMZAZJAM-SFHVURJKSA-N 2 0 354.502 3.109 20 0 FGADRP CC[C@@H](C(=O)N[C@@H](C[NH+](C)C)c1ccc(F)cc1)[N@H+](C)Cc1ccccc1 ZINC000572895575 506077914 /nfs/dbraw/zinc/07/79/14/506077914.db2.gz DAFGBPXUGSBTBR-SFTDATJTSA-N 2 0 371.500 3.455 20 0 FGADRP C[NH+](C)CCCC1CC[NH+](C[C@H]2CCN(C(=O)c3ccccc3)C2)CC1 ZINC000283070544 498767986 /nfs/dbraw/zinc/76/79/86/498767986.db2.gz KBMKLOWTLAGUJX-HXUWFJFHSA-N 2 0 357.542 3.203 20 0 FGADRP COc1cc(C[NH2+][C@H](C)c2ccc(C[NH3+])nc2C)ccc1OC(F)F ZINC000576146492 506087437 /nfs/dbraw/zinc/08/74/37/506087437.db2.gz FOXZHESHJSTSOM-LLVKDONJSA-N 2 0 351.397 3.310 20 0 FGADRP O=C(Nc1ccc(CC[NH+]2CCCCC2)cc1)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000363373022 498785727 /nfs/dbraw/zinc/78/57/27/498785727.db2.gz AVUHHLGMTBOTGS-RTWAWAEBSA-N 2 0 370.541 3.463 20 0 FGADRP CC[NH+]1CCN(CCCC[NH2+][C@H](COC)c2cccc(Cl)c2F)CC1 ZINC000287547717 498794029 /nfs/dbraw/zinc/79/40/29/498794029.db2.gz FMCIAPHLVJSDAK-GOSISDBHSA-N 2 0 371.928 3.174 20 0 FGADRP C[C@H]([NH2+]C[C@@H]1CCC2(CCOCC2)[C@@H]1O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000283161771 498802900 /nfs/dbraw/zinc/80/29/00/498802900.db2.gz IQUMQQPIBBAERP-JKLQHZFJSA-N 2 0 372.553 3.054 20 0 FGADRP Cc1nn(C)c2sc([C@H](C)[NH2+]C3CC[NH+](C[C@H]4CCOC4)CC3)cc12 ZINC000287587942 498805148 /nfs/dbraw/zinc/80/51/48/498805148.db2.gz HVUAEIINSVNADU-LSDHHAIUSA-N 2 0 362.543 3.095 20 0 FGADRP c1ccc([C@@H](CN2CCCC2)[NH2+]C2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000298568162 498816771 /nfs/dbraw/zinc/81/67/71/498816771.db2.gz WUEYXFUAXQCHGR-JOCHJYFZSA-N 2 0 350.510 3.477 20 0 FGADRP C[NH+]1CCC(CC[NH2+]C[C@@H](O)COc2cc(Cl)ccc2Cl)CC1 ZINC000323806901 498822172 /nfs/dbraw/zinc/82/21/72/498822172.db2.gz HHDIGOSMQIIOKC-OAHLLOKOSA-N 2 0 361.313 3.055 20 0 FGADRP C[NH+]1CCC(CC[NH2+]C[C@H](O)COc2cc(Cl)ccc2Cl)CC1 ZINC000323806898 498822839 /nfs/dbraw/zinc/82/28/39/498822839.db2.gz HHDIGOSMQIIOKC-HNNXBMFYSA-N 2 0 361.313 3.055 20 0 FGADRP C[N@H+](CCCOc1ccc(F)cc1)C1CC[NH+](C2CCOCC2)CC1 ZINC000363453084 498828711 /nfs/dbraw/zinc/82/87/11/498828711.db2.gz QMMUKACCAZSDGW-UHFFFAOYSA-N 2 0 350.478 3.170 20 0 FGADRP Cc1nn(C)c(N2CCC[N@H+](C)CC2)c1C[NH2+][C@@H](C)c1ccccc1C ZINC000366230263 498832849 /nfs/dbraw/zinc/83/28/49/498832849.db2.gz CPZMDESOMPKORN-KRWDZBQOSA-N 2 0 355.530 3.030 20 0 FGADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000326444165 498843099 /nfs/dbraw/zinc/84/30/99/498843099.db2.gz BKDKGIHYOBCUHI-DLBZAZTESA-N 2 0 369.575 3.098 20 0 FGADRP C[NH2+]CCc1ccccc1C(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000579128760 506100158 /nfs/dbraw/zinc/10/01/58/506100158.db2.gz NDGDFHGNWADABG-GOSISDBHSA-N 2 0 365.521 3.404 20 0 FGADRP COc1ccc([C@H](C)[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1Cn1cccn1 ZINC000363543206 498870033 /nfs/dbraw/zinc/87/00/33/498870033.db2.gz FCFNTIHMONCVLA-FFZOFVMBSA-N 2 0 354.498 3.217 20 0 FGADRP C[N@@H+]1CC[C@@H](CNC(=O)c2ccc(C[NH3+])cc2)[C@@H]1c1cccc(Cl)c1 ZINC000366331372 498877865 /nfs/dbraw/zinc/87/78/65/498877865.db2.gz VREHVSDIWKFYJW-HKUYNNGSSA-N 2 0 357.885 3.222 20 0 FGADRP [NH3+][C@@H](CC(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000366416764 498917344 /nfs/dbraw/zinc/91/73/44/498917344.db2.gz ZHCYYFCKSLWJBD-FPOVZHCZSA-N 2 0 351.494 3.105 20 0 FGADRP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CCC(CC[NH3+])CC1 ZINC000582008555 506111745 /nfs/dbraw/zinc/11/17/45/506111745.db2.gz RHAZRYMFYCMTOO-FQEVSTJZSA-N 2 0 372.557 3.058 20 0 FGADRP COC(=O)c1ccc(-c2nc(CN3CC[C@@]4(CC[N@H+](C)C4)C3)cs2)cc1 ZINC000366479148 498945057 /nfs/dbraw/zinc/94/50/57/498945057.db2.gz GLLGRKSAQDELRB-HXUWFJFHSA-N 2 0 371.506 3.124 20 0 FGADRP Cc1cn2c(n1)[C@H](C[NH2+][C@H](C)c1ccc(OCC[NH+](C)C)cc1)CCC2 ZINC000363754342 498976698 /nfs/dbraw/zinc/97/66/98/498976698.db2.gz BNTIMAJVLJUHHD-MJGOQNOKSA-N 2 0 356.514 3.360 20 0 FGADRP C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)CC2CC[NH+](C)CC2)CC1 ZINC000291529208 498978779 /nfs/dbraw/zinc/97/87/79/498978779.db2.gz NCRNZJTYZKFZSL-UHFFFAOYSA-N 2 0 357.542 3.089 20 0 FGADRP C[C@@H]([NH2+]C1CCN(c2ccccn2)CC1)c1cccc(N2CCOCC2)c1 ZINC000363793633 498995443 /nfs/dbraw/zinc/99/54/43/498995443.db2.gz ROCRQRGGFDMEQV-GOSISDBHSA-N 2 0 366.509 3.238 20 0 FGADRP CC[NH+]1CCC(C[NH2+]CCC(=O)Nc2cccc(Br)c2)CC1 ZINC000579227564 506124836 /nfs/dbraw/zinc/12/48/36/506124836.db2.gz PWIXENDGMRRRJC-UHFFFAOYSA-N 2 0 368.319 3.099 20 0 FGADRP CC(C)[N@H+](C)Cc1cccc(CNC(=O)[C@H]2C[NH2+]Cc3ccccc32)c1 ZINC000582064821 506125448 /nfs/dbraw/zinc/12/54/48/506125448.db2.gz RKWMDDWIEMIGLC-NRFANRHFSA-N 2 0 351.494 3.030 20 0 FGADRP OC1CC[NH+](CCCNCc2cnc(-c3ccc(Cl)cc3)s2)CC1 ZINC000283877717 499005002 /nfs/dbraw/zinc/00/50/02/499005002.db2.gz IXUAYDZIZLNRNU-UHFFFAOYSA-N 2 0 365.930 3.400 20 0 FGADRP C[C@H]1COCC[C@@H]1[NH2+]Cc1cc(Cl)cc(C[NH2+][C@H]2CCOC[C@H]2C)c1 ZINC000295483610 499030875 /nfs/dbraw/zinc/03/08/75/499030875.db2.gz AAGMXWUYUBFEHX-VZJWBNGJSA-N 2 0 366.933 3.369 20 0 FGADRP Cn1cnc2cc(C[NH2+]Cc3ccc(OC4CC[NH+](C)CC4)cc3)ccc21 ZINC000284169848 499062061 /nfs/dbraw/zinc/06/20/61/499062061.db2.gz WXPKTGAYGYGTTN-UHFFFAOYSA-N 2 0 364.493 3.336 20 0 FGADRP CC(C)Oc1ccc([C@@H](C)[NH2+]C[C@@H](C)N2CC[NH+](C)CC2)cc1Cl ZINC000284216101 499070830 /nfs/dbraw/zinc/07/08/30/499070830.db2.gz HAYWLOGGIKTDQU-HZPDHXFCSA-N 2 0 353.938 3.414 20 0 FGADRP C[C@H]1C[C@@H](N(C)C(=O)c2ccc3c[nH+]cn3c2)CC[N@@H+]1Cc1ccccc1 ZINC000284329260 499090204 /nfs/dbraw/zinc/09/02/04/499090204.db2.gz LJXKWVBXNFCHJU-PXNSSMCTSA-N 2 0 362.477 3.459 20 0 FGADRP COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)cc1 ZINC000284406788 499102396 /nfs/dbraw/zinc/10/23/96/499102396.db2.gz QAKOQYBVSFBJJR-PEYKTXOXSA-N 2 0 358.526 3.278 20 0 FGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H](C)[C@H]2C[C@@H]2c2ccc(OC)cc2)CC1 ZINC000284463599 499111413 /nfs/dbraw/zinc/11/14/13/499111413.db2.gz TZQKWWVBLCIAKF-GMQQQROESA-N 2 0 359.558 3.050 20 0 FGADRP CC(C)Oc1ccc([C@@H](C)[NH2+]CCCN2CC[NH+](C)CC2)cc1Cl ZINC000284503892 499117046 /nfs/dbraw/zinc/11/70/46/499117046.db2.gz VTJHFLULKOUUTA-MRXNPFEDSA-N 2 0 353.938 3.415 20 0 FGADRP CC(C)(C)OC(=O)N[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CCC[NH+]1CCCCC1 ZINC000372557752 499145917 /nfs/dbraw/zinc/14/59/17/499145917.db2.gz OVUZDRPNCQUWGS-NNZMDNLPSA-N 2 0 351.535 3.383 20 0 FGADRP Cc1ccc2cc(C[N@H+]3CC[C@@H](N4CC[NH+](C(C)C)CC4)C3)ccc2n1 ZINC000372686920 499161180 /nfs/dbraw/zinc/16/11/80/499161180.db2.gz ZRCDSGRKTBMKLN-OAQYLSRUSA-N 2 0 352.526 3.144 20 0 FGADRP CC(C)(C)C(=O)N1CCC(C[N@@H+]2CCC[C@@H](C[NH+]3CCCCC3)C2)CC1 ZINC000372801724 499177470 /nfs/dbraw/zinc/17/74/70/499177470.db2.gz LNPBQPCRUNAXQH-FQEVSTJZSA-N 2 0 363.590 3.469 20 0 FGADRP Cc1nn(-c2ccccn2)c(C)c1C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000367340796 499184200 /nfs/dbraw/zinc/18/42/00/499184200.db2.gz AWUBYADJDWOOJP-UHFFFAOYSA-N 2 0 353.514 3.192 20 0 FGADRP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)c2ccc(C[NH+](C)C)nc2)CC1 ZINC000367400016 499194989 /nfs/dbraw/zinc/19/49/89/499194989.db2.gz RUWOPZSCQLNXRP-QGZVFWFLSA-N 2 0 366.509 3.099 20 0 FGADRP C[C@H]1CN(C(=O)Nc2ccc(F)cc2Cl)CCN1C1CC[NH+](C)CC1 ZINC000367523535 499208602 /nfs/dbraw/zinc/20/86/02/499208602.db2.gz CRGCYNATRQQHOO-ZDUSSCGKSA-N 2 0 368.884 3.111 20 0 FGADRP OC[C@H](C[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)c1cccnc1 ZINC000367566060 499213300 /nfs/dbraw/zinc/21/33/00/499213300.db2.gz RMYHSYUCJSNJCR-CWBXHPNXSA-N 2 0 365.521 3.048 20 0 FGADRP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(NC(=O)c3ccco3)cc2)[C@@H]2CCC[C@H]21 ZINC000367617746 499218226 /nfs/dbraw/zinc/21/82/26/499218226.db2.gz RFOQIXKTHNMDRD-GBESFXJTSA-N 2 0 353.466 3.494 20 0 FGADRP CCC[NH+]1CCC([NH2+][C@H]2CCN(Cc3cnc(C)s3)C[C@@H]2C)CC1 ZINC000370619510 499236158 /nfs/dbraw/zinc/23/61/58/499236158.db2.gz AOTSFIHFMPJJLL-KXBFYZLASA-N 2 0 350.576 3.126 20 0 FGADRP C[C@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccccc1Br ZINC000370625477 499236770 /nfs/dbraw/zinc/23/67/70/499236770.db2.gz YLNVFFIVDRCBSG-GJZGRUSLSA-N 2 0 366.347 3.268 20 0 FGADRP COc1cc([C@@H](C)[NH2+][C@@H]2CCN(C3CC[NH+](C)CC3)C2)ccc1SC ZINC000370635254 499238163 /nfs/dbraw/zinc/23/81/63/499238163.db2.gz OOPXFIVQIJLXNA-NVXWUHKLSA-N 2 0 363.571 3.236 20 0 FGADRP C[C@@H](C1CC1)N(C(=O)C[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1)C1CC1 ZINC000367888845 499242138 /nfs/dbraw/zinc/24/21/38/499242138.db2.gz ZBPHTWXDPSIFTH-KRWDZBQOSA-N 2 0 370.541 3.019 20 0 FGADRP C[C@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]CCc1cn2c(n1)CCCC2 ZINC000370669910 499242261 /nfs/dbraw/zinc/24/22/61/499242261.db2.gz SMEUEGXOUSSFTP-RXVVDRJESA-N 2 0 352.526 3.262 20 0 FGADRP c1[nH]nc(-c2cccnc2)c1C[N@@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000367962759 499250199 /nfs/dbraw/zinc/25/01/99/499250199.db2.gz KABLYVSBBNZPNO-IRLDBZIGSA-N 2 0 373.504 3.426 20 0 FGADRP CC(C)N1CCc2nc(C[N@H+]3CCCCC[C@@H]3C[C@H](C)O)sc2C1 ZINC000368037996 499258224 /nfs/dbraw/zinc/25/82/24/499258224.db2.gz OCVCTRCUIPFBEM-JKSUJKDBSA-N 2 0 351.560 3.425 20 0 FGADRP Cc1cnccc1NC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000368060483 499260563 /nfs/dbraw/zinc/26/05/63/499260563.db2.gz NEAISZAFGWWKPX-MOPGFXCFSA-N 2 0 350.466 3.083 20 0 FGADRP Cc1cc2ncn(C[C@H](O)C[NH2+]CCC[NH+](C(C)C)C(C)C)c2cc1C ZINC000570323118 506141738 /nfs/dbraw/zinc/14/17/38/506141738.db2.gz SCCZXIUMXKEGJU-LJQANCHMSA-N 2 0 360.546 3.113 20 0 FGADRP C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@@H]1NCc1coc(-c2ccc(F)cc2)n1 ZINC000368416546 499293815 /nfs/dbraw/zinc/29/38/15/499293815.db2.gz LCVJIPYZYFALIL-YSGRDPCXSA-N 2 0 373.472 3.460 20 0 FGADRP CC(C)[NH+]1CCN([C@@H]2CCN(Cc3ccc(F)cc3C(F)(F)F)C2)CC1 ZINC000371333276 499311772 /nfs/dbraw/zinc/31/17/72/499311772.db2.gz UEMUFTLVNKMKDC-QGZVFWFLSA-N 2 0 373.438 3.445 20 0 FGADRP COc1cc(C[NH+]2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)ccc1OC(C)C ZINC000576368680 506141790 /nfs/dbraw/zinc/14/17/90/506141790.db2.gz QMSBYEKYGJDBAK-NQIIRXRSSA-N 2 0 362.514 3.201 20 0 FGADRP Cc1c[nH+]ccc1N1CCC(C(=O)N2CCC(CCC[NH+](C)C)CC2)CC1 ZINC000371344276 499313459 /nfs/dbraw/zinc/31/34/59/499313459.db2.gz LBSUCGHZSGQMDV-UHFFFAOYSA-N 2 0 372.557 3.187 20 0 FGADRP CC(C)[NH+]1CCN([C@H]2CC[N@H+](CC3CCC(C(F)(F)F)CC3)C2)CC1 ZINC000368651270 499317449 /nfs/dbraw/zinc/31/74/49/499317449.db2.gz UEKVGNILAHALAU-ABHNRTSZSA-N 2 0 361.496 3.455 20 0 FGADRP O=C(NCCCC[NH+]1CCCC1)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000371572554 499343436 /nfs/dbraw/zinc/34/34/36/499343436.db2.gz YKTJGUMKAYHCTL-FQEVSTJZSA-N 2 0 364.578 3.160 20 0 FGADRP CC(C)[NH2+]C1CCN(C(=O)NC2CC[NH+](C3CCC(C)CC3)CC2)CC1 ZINC000369208765 499377657 /nfs/dbraw/zinc/37/76/57/499377657.db2.gz BEMVJOGYFWFOIF-UHFFFAOYSA-N 2 0 364.578 3.202 20 0 FGADRP C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@@H]1[NH2+]CCCCN(C)c1ccccc1 ZINC000371978467 499386174 /nfs/dbraw/zinc/38/61/74/499386174.db2.gz IJXUAIRRQXFBMS-FCEUIQTBSA-N 2 0 359.558 3.382 20 0 FGADRP CC(C)CC[NH+]1CCC(C[NH2+][C@@H]2CC[N@H+](C[C@@H]3CCCO3)C[C@H]2C)CC1 ZINC000372054991 499393921 /nfs/dbraw/zinc/39/39/21/499393921.db2.gz JMDOOQAFEIJCKX-BAGYTPMASA-N 3 0 365.606 3.224 20 0 FGADRP CC(=O)c1c(C)cc(C)c(C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)c1C ZINC000369767130 499441818 /nfs/dbraw/zinc/44/18/18/499441818.db2.gz QHKHLZNXFAHYHI-XMSQKQJNSA-N 2 0 371.569 3.272 20 0 FGADRP NC(=O)C1CCC(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC000373142236 499453441 /nfs/dbraw/zinc/45/34/41/499453441.db2.gz SXTWWEOKBMKDNX-CBRFPRNKSA-N 2 0 355.526 3.063 20 0 FGADRP CC[NH+]1CCN([C@@H]2CC[N@H+](CCCc3c(F)cccc3Cl)C2)CC1 ZINC000373203864 499457183 /nfs/dbraw/zinc/45/71/83/499457183.db2.gz MNSOMULHOOLUQP-MRXNPFEDSA-N 2 0 353.913 3.124 20 0 FGADRP CC[NH+](CC)CCOc1ccc(C(=O)N2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)cc1 ZINC000378237057 499493096 /nfs/dbraw/zinc/49/30/96/499493096.db2.gz ZKIKXLLWOOZLOG-CTNGQTDRSA-N 2 0 373.541 3.011 20 0 FGADRP CN(Cc1ncc(-c2cccc(F)c2)o1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000378434810 499516340 /nfs/dbraw/zinc/51/63/40/499516340.db2.gz SKEDSTSDYDCUQT-LJQANCHMSA-N 2 0 372.488 3.081 20 0 FGADRP CCOC1CC2(C1)CC[NH+](CCC[N@H+]1CCC3(CC(OCC)C3)C1)C2 ZINC000375738239 499550018 /nfs/dbraw/zinc/55/00/18/499550018.db2.gz LRCILXAYMGOIFG-UHFFFAOYSA-N 2 0 350.547 3.159 20 0 FGADRP Cc1cc(C[N@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)c2ccccc2n1 ZINC000375886774 499564774 /nfs/dbraw/zinc/56/47/74/499564774.db2.gz ATXCCKFGQICUPP-FQEVSTJZSA-N 2 0 352.526 3.144 20 0 FGADRP Cn1ccnc1COc1ccc(C[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)cc1 ZINC000375999082 499574831 /nfs/dbraw/zinc/57/48/31/499574831.db2.gz IZXIVAKMOKTTDG-UHFFFAOYSA-N 2 0 368.525 3.307 20 0 FGADRP c1ccc(C[N@@H+]2CCC[C@H]3OCC[C@H]32)c(C[NH+]2CCC[C@H]3OCC[C@H]32)c1 ZINC000376013537 499576225 /nfs/dbraw/zinc/57/62/25/499576225.db2.gz IZFSLNMINHSEAF-GXRSIYKFSA-N 2 0 356.510 3.193 20 0 FGADRP C[C@@H]([NH2+]C[C@H](C)CN1CC[NH+](C)CC1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000376079930 499581529 /nfs/dbraw/zinc/58/15/29/499581529.db2.gz IDEROIOWHCGVGT-XUWVNRHRSA-N 2 0 355.979 3.367 20 0 FGADRP CCNC(=O)c1ccc(C[NH2+][C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000376318095 499600020 /nfs/dbraw/zinc/60/00/20/499600020.db2.gz FSEGSHPPCJDAPO-GCJKJVERSA-N 2 0 365.521 3.437 20 0 FGADRP CN(C(=O)N[C@@H]1CC[NH+](C2CCCCCC2)C1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000376676553 499627962 /nfs/dbraw/zinc/62/79/62/499627962.db2.gz BFFBPZKVKCNQTP-BLMTVLTRSA-N 2 0 362.562 3.050 20 0 FGADRP CC[NH+](CC)CCCNC(=O)NCc1ccccc1C[NH+]1CCC(C)CC1 ZINC000410345672 499656416 /nfs/dbraw/zinc/65/64/16/499656416.db2.gz DBWZPLILKQIDNS-UHFFFAOYSA-N 2 0 374.573 3.450 20 0 FGADRP CN(c1ccccc1C[N@@H+]1CC[C@@H]([C@H]2CCOC2)C1)C1CC[NH+](C)CC1 ZINC000377235691 499672585 /nfs/dbraw/zinc/67/25/85/499672585.db2.gz DAVASMGOHOQVDC-QUCCMNQESA-N 2 0 357.542 3.075 20 0 FGADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCN(C)[C@H]2c2cccnc2)C[C@H]1C ZINC000377255749 499674474 /nfs/dbraw/zinc/67/44/74/499674474.db2.gz JAYDKNQQMJZYDH-ZKIDJSGLSA-N 2 0 359.514 3.032 20 0 FGADRP COc1cc(CN(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c(SC)cc1OC ZINC000377626134 499712206 /nfs/dbraw/zinc/71/22/06/499712206.db2.gz NETQSEKKCKMDMC-XYPWUTKMSA-N 2 0 350.528 3.483 20 0 FGADRP CCCNC(=O)[C@H]1CCC[N@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000411218334 499712652 /nfs/dbraw/zinc/71/26/52/499712652.db2.gz IARCFFPEWHYVOL-NRFANRHFSA-N 2 0 357.542 3.411 20 0 FGADRP CN1CCN([C@H]2CCCC[N@H+](Cc3cccc(-c4cccnc4)c3)C2)CC1 ZINC000377693292 499720710 /nfs/dbraw/zinc/72/07/10/499720710.db2.gz KFWWNCKALQNMCY-QHCPKHFHSA-N 2 0 364.537 3.351 20 0 FGADRP CCO[C@@H]1C[C@H](O)C12CC[NH+](Cc1ccc(C[NH+]3CCCCC3)cc1)CC2 ZINC000411279717 499721098 /nfs/dbraw/zinc/72/10/98/499721098.db2.gz CJCWWZSDTCJGMO-FCHUYYIVSA-N 2 0 372.553 3.424 20 0 FGADRP CC[NH+](CC)CCOc1ccccc1NC(=O)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000377779976 499732292 /nfs/dbraw/zinc/73/22/92/499732292.db2.gz GPDRNYDVFJKUBL-GOSISDBHSA-N 2 0 374.529 3.109 20 0 FGADRP c1cn(CC2CC[NH+](Cc3ccc(C[NH+]4CCCCC4)cc3)CC2)nn1 ZINC000411405389 499735746 /nfs/dbraw/zinc/73/57/46/499735746.db2.gz YWCVCXNXHFMEOL-UHFFFAOYSA-N 2 0 353.514 3.176 20 0 FGADRP C[NH+](C)Cc1ccc(C(=O)N2C[C@@H]3C[N@H+](C)[C@H](c4ccccc4)[C@@H]3C2)cc1 ZINC000377817992 499738233 /nfs/dbraw/zinc/73/82/33/499738233.db2.gz DIBXQFLCCJGORA-BHDDXSALSA-N 2 0 363.505 3.123 20 0 FGADRP C[NH+](C)Cc1cccc(C(=O)N2C[C@@H]3C[N@H+](C)[C@H](c4ccccc4)[C@H]3C2)c1 ZINC000377883688 499745138 /nfs/dbraw/zinc/74/51/38/499745138.db2.gz KOKXOXAOGCVYNJ-FDFHNCONSA-N 2 0 363.505 3.123 20 0 FGADRP Cc1ccc2c(CC[NH2+][C@@H]3CC[N@@H+](C[C@H]4CCCO4)C[C@H]3C)c[nH]c2c1 ZINC000378163925 499761568 /nfs/dbraw/zinc/76/15/68/499761568.db2.gz HUAJMBIOEQOWED-YFVAEKQCSA-N 2 0 355.526 3.498 20 0 FGADRP Cc1ccc2c(CC[NH2+][C@@H]3CC[N@@H+](C[C@@H]4CCCO4)C[C@H]3C)c[nH]c2c1 ZINC000378163924 499761636 /nfs/dbraw/zinc/76/16/36/499761636.db2.gz HUAJMBIOEQOWED-SLYNCCJLSA-N 2 0 355.526 3.498 20 0 FGADRP C[C@H]1CC[C@H]([NH2+]CC2(N3CCOCC3)CC[NH+](C)CC2)c2ccccc21 ZINC000414200246 499768225 /nfs/dbraw/zinc/76/82/25/499768225.db2.gz RPCZUDAKDSODAM-RXVVDRJESA-N 2 0 357.542 3.011 20 0 FGADRP CC(C)C[C@H]([NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1)c1ccccc1 ZINC000414203835 499768334 /nfs/dbraw/zinc/76/83/34/499768334.db2.gz VOELMZKHSGHFJI-NRFANRHFSA-N 2 0 359.558 3.160 20 0 FGADRP O[C@@H]1C[C@H]([C@@H]2CCCOC2)[N@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000411779485 499789892 /nfs/dbraw/zinc/78/98/92/499789892.db2.gz CVSNTKMZHRGPHT-YPAWHYETSA-N 2 0 358.526 3.034 20 0 FGADRP CC(C)c1cnc(C[NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)s1 ZINC000414522959 499802501 /nfs/dbraw/zinc/80/25/01/499802501.db2.gz HNXDOMCNVQXZLV-UHFFFAOYSA-N 2 0 359.539 3.383 20 0 FGADRP [NH3+]CC(=O)N1CCC[C@@H](C[N@H+](Cc2ccccc2)Cc2ccc(F)cc2)C1 ZINC000414695839 499820966 /nfs/dbraw/zinc/82/09/66/499820966.db2.gz FPFFZUIVQHEECG-FQEVSTJZSA-N 2 0 369.484 3.025 20 0 FGADRP [NH3+]CC(=O)N1CCC[C@@H](C[N@H+](Cc2ccc(Cl)c(Cl)c2)C2CC2)C1 ZINC000414697517 499821267 /nfs/dbraw/zinc/82/12/67/499821267.db2.gz WRESJGFWVROHBS-CQSZACIVSA-N 2 0 370.324 3.155 20 0 FGADRP COCC[N@@H+](Cc1ccc(Br)s1)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414753798 499826923 /nfs/dbraw/zinc/82/69/23/499826923.db2.gz FEQCWPNSPINWBW-CHWSQXEVSA-N 2 0 361.349 3.347 20 0 FGADRP [NH3+]C[C@H]1CN(Cc2csc(-c3ccc(F)cc3)n2)CC12CCOCC2 ZINC000414776014 499829607 /nfs/dbraw/zinc/82/96/07/499829607.db2.gz CTVFEBQQPDTFEJ-HNNXBMFYSA-N 2 0 361.486 3.137 20 0 FGADRP Cc1nn(Cc2ccccc2)c(C)c1C[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414787214 499831116 /nfs/dbraw/zinc/83/11/16/499831116.db2.gz VKCPAWIMLQYNNH-RTWAWAEBSA-N 2 0 352.526 3.370 20 0 FGADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(Br)c(Br)c1 ZINC000414795717 499832186 /nfs/dbraw/zinc/83/21/86/499832186.db2.gz HAAKFNVPLQQYAN-GXFFZTMASA-N 2 0 362.109 3.429 20 0 FGADRP Cc1cc(Br)cn2c(C[NH2+][C@H]3CCCC[C@@H]3C[NH3+])cnc12 ZINC000414796801 499832086 /nfs/dbraw/zinc/83/20/86/499832086.db2.gz IASAGBFYIQHQKZ-DOMZBBRYSA-N 2 0 351.292 3.012 20 0 FGADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000414796784 499832332 /nfs/dbraw/zinc/83/23/32/499832332.db2.gz IAODXLKZSOQMRH-GDBMZVCRSA-N 2 0 352.404 3.498 20 0 FGADRP CC(C)c1ccc([C@@H]([NH3+])CNC2CC[NH+](Cc3cccnc3)CC2)cc1 ZINC000414820734 499834278 /nfs/dbraw/zinc/83/42/78/499834278.db2.gz AYRLVTGPYSESAD-QFIPXVFZSA-N 2 0 352.526 3.459 20 0 FGADRP Clc1cccc(-n2cc(C[NH2+]CC[C@@H]3CCC[NH2+]C3)nn2)c1Cl ZINC000414834182 499835480 /nfs/dbraw/zinc/83/54/80/499835480.db2.gz GZJADVDFRWZEKJ-LBPRGKRZSA-N 2 0 354.285 3.053 20 0 FGADRP C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]CC1([NH3+])CCCCC1 ZINC000414847068 499837352 /nfs/dbraw/zinc/83/73/52/499837352.db2.gz UNNXNVWPBPCJBZ-CYBMUJFWSA-N 2 0 368.319 3.417 20 0 FGADRP Fc1cccc(Cl)c1CN1CCC([NH2+]CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000414847692 499837478 /nfs/dbraw/zinc/83/74/78/499837478.db2.gz WFQYAPJQBNJGDN-HNNXBMFYSA-N 2 0 353.913 3.423 20 0 FGADRP C[C@@H]1C[NH2+]CC[C@H]1[NH2+]C1CCN(Cc2ccccc2Br)CC1 ZINC000414945548 499847696 /nfs/dbraw/zinc/84/76/96/499847696.db2.gz RVOQVRVTKMZDNO-RDTXWAMCSA-N 2 0 366.347 3.001 20 0 FGADRP C[C@@H]1C[NH2+]CC[C@H]1[NH2+]Cc1ccc(Br)c(Br)c1 ZINC000414951099 499847894 /nfs/dbraw/zinc/84/78/94/499847894.db2.gz GXDZILLGKRIAGN-NOZJJQNGSA-N 2 0 362.109 3.299 20 0 FGADRP COCC1(C[NH2+]Cc2ccc(Br)c(Cl)c2)CC[NH2+]CC1 ZINC000414971258 499850063 /nfs/dbraw/zinc/85/00/63/499850063.db2.gz ILDNIGUNNNBJPB-UHFFFAOYSA-N 2 0 361.711 3.208 20 0 FGADRP CCOc1c(Br)cc(C[NH2+]C[C@H]2CCC[C@H]([NH3+])C2)cc1OC ZINC000414990727 499852278 /nfs/dbraw/zinc/85/22/78/499852278.db2.gz JABUYNIEOYUGIP-JSGCOSHPSA-N 2 0 371.319 3.464 20 0 FGADRP C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]C[C@H]1CCC[C@@H]([NH3+])C1 ZINC000414994428 499852586 /nfs/dbraw/zinc/85/25/86/499852586.db2.gz DPQRIOGEVGRYBY-VNHYZAJKSA-N 2 0 368.319 3.273 20 0 FGADRP [NH3+]C[C@H]1CC[C@H](C[NH2+]Cc2cn(-c3ccc(Cl)c(Cl)c3)nn2)CC1 ZINC000415024275 499855898 /nfs/dbraw/zinc/85/58/98/499855898.db2.gz MZUDQLBZKBBSNU-JOCQHMNTSA-N 2 0 368.312 3.429 20 0 FGADRP FC(F)[C@H](CCc1ccccc1)[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000415056697 499859028 /nfs/dbraw/zinc/85/90/28/499859028.db2.gz QIWNSYKLYFCZDD-ACBHZAAOSA-N 2 0 351.485 3.059 20 0 FGADRP C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000415056740 499859197 /nfs/dbraw/zinc/85/91/97/499859197.db2.gz QNGGCVVIJMSVDT-VNCLNFNDSA-N 2 0 369.475 3.442 20 0 FGADRP C[NH+](C)CCOc1ccccc1CN[C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000415078156 499861512 /nfs/dbraw/zinc/86/15/12/499861512.db2.gz FQXSGRVKCKLZMW-SFTDATJTSA-N 2 0 353.510 3.210 20 0 FGADRP [NH3+]CC(=O)N1CCC[C@H](C[NH2+][C@H](c2ccccc2)c2cccc(Cl)c2)C1 ZINC000415081811 499861679 /nfs/dbraw/zinc/86/16/79/499861679.db2.gz CGXIAHVJKZORDN-IIBYNOLFSA-N 2 0 371.912 3.216 20 0 FGADRP CCc1noc(-c2ccc(CC[NH2+][C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)cc2)n1 ZINC000415091423 499862524 /nfs/dbraw/zinc/86/25/24/499862524.db2.gz ZFLCQUAQWYOMOK-GUDVDZBRSA-N 2 0 354.498 3.352 20 0 FGADRP CC[C@H](C(=O)N1CCC([NH2+]C[C@H]2CC[NH2+][C@@H](C)C2)CC1)c1ccccc1 ZINC000415095968 499862963 /nfs/dbraw/zinc/86/29/63/499862963.db2.gz ACGOZYDMBGKNMV-WFXMLNOXSA-N 2 0 357.542 3.149 20 0 FGADRP CCN1CC[C@H]([NH2+]C2CCC(C[NH3+])CC2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000415106701 499864333 /nfs/dbraw/zinc/86/43/33/499864333.db2.gz NEJOHRULHMMAAV-IJINUTMPSA-N 2 0 355.448 3.346 20 0 FGADRP CCOc1c(Cl)cccc1C[NH+]1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000415106993 499864653 /nfs/dbraw/zinc/86/46/53/499864653.db2.gz KHAVEISKUKSBQE-HKUYNNGSSA-N 2 0 352.906 3.457 20 0 FGADRP COc1cc(C[NH+]2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)ccc1SC ZINC000415121491 499866168 /nfs/dbraw/zinc/86/61/68/499866168.db2.gz IEEDMWRRNWFNGC-DLBZAZTESA-N 2 0 350.528 3.135 20 0 FGADRP Cc1ccc(-c2ncc(C[NH+]3CCC([C@H]4C[C@@H]([NH3+])CCO4)CC3)s2)o1 ZINC000415130572 499867709 /nfs/dbraw/zinc/86/77/09/499867709.db2.gz XHCRXEQMGBQMRT-MAUKXSAKSA-N 2 0 361.511 3.430 20 0 FGADRP CC1CC[NH+](CCc2cccc(NC(=O)N(C)CC(C)(C)C[NH3+])c2)CC1 ZINC000415399036 499891354 /nfs/dbraw/zinc/89/13/54/499891354.db2.gz XVJNCXFJWCHDAL-UHFFFAOYSA-N 2 0 360.546 3.410 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)Nc1ccc2c(c1)C[NH2+]CC2)c1ccco1 ZINC000415881460 499924115 /nfs/dbraw/zinc/92/41/15/499924115.db2.gz INJOJQGQQWWFQJ-SFHVURJKSA-N 2 0 356.470 3.130 20 0 FGADRP CCc1ccc([C@@H](CNC(=O)Nc2cccc(C[NH2+]C)c2)[NH+](C)C)cc1 ZINC000415925938 499929208 /nfs/dbraw/zinc/92/92/08/499929208.db2.gz BTUVCQHFPGFIFG-HXUWFJFHSA-N 2 0 354.498 3.393 20 0 FGADRP [NH3+]CCOc1ccc(NC(=O)NC[C@@H]2CCC[N@@H+]2CC2CCCCC2)cc1 ZINC000415931814 499930035 /nfs/dbraw/zinc/93/00/35/499930035.db2.gz CIGAYROTKHRGHA-IBGZPJMESA-N 2 0 374.529 3.190 20 0 FGADRP CC[NH+](CC)C[C@H]1CCCC[C@H]1NC(=O)Nc1ccc(OCC[NH3+])cc1 ZINC000415939366 499930940 /nfs/dbraw/zinc/93/09/40/499930940.db2.gz QVWDXMBHUUNNOD-VQIMIIECSA-N 2 0 362.518 3.046 20 0 FGADRP CCC[NH+](CCC)CCCNC(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000415950018 499932284 /nfs/dbraw/zinc/93/22/84/499932284.db2.gz CSVCCYSZURQCJH-UHFFFAOYSA-N 2 0 350.482 3.105 20 0 FGADRP C[NH+](C)CC1(CNC(=O)Nc2cc(C[NH3+])cc(C(F)(F)F)c2)CCCC1 ZINC000415953949 499932867 /nfs/dbraw/zinc/93/28/67/499932867.db2.gz NGVXSFJLXJSTBJ-UHFFFAOYSA-N 2 0 372.435 3.408 20 0 FGADRP CCCC[N@H+](C)CC1CCN(C(=O)Nc2ccc3c(c2)C[NH2+]CCO3)CC1 ZINC000415965927 499934651 /nfs/dbraw/zinc/93/46/51/499934651.db2.gz AYVKHVJLKVQJHA-UHFFFAOYSA-N 2 0 374.529 3.144 20 0 FGADRP C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000415970960 499935267 /nfs/dbraw/zinc/93/52/67/499935267.db2.gz MDJNNKOYACLZLJ-MLGOLLRUSA-N 2 0 370.419 3.255 20 0 FGADRP CC(C)[C@@H](CNC(=O)Nc1ccc(C[NH3+])cc1)[N@@H+]1CCc2ccccc2C1 ZINC000415974464 499936007 /nfs/dbraw/zinc/93/60/07/499936007.db2.gz LKZNWPOUGRBIAT-OAQYLSRUSA-N 2 0 366.509 3.350 20 0 FGADRP CC(C)[N@@H+]1CCCN(C(=O)Nc2cc(C[NH3+])cc(C(F)(F)F)c2)CC1 ZINC000415975307 499936247 /nfs/dbraw/zinc/93/62/47/499936247.db2.gz SQIHKZNTDAHTSR-UHFFFAOYSA-N 2 0 358.408 3.112 20 0 FGADRP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)N(CCC[NH3+])Cc1ccccc1 ZINC000417027980 499951353 /nfs/dbraw/zinc/95/13/53/499951353.db2.gz BDUUVOICHYONLC-IBGZPJMESA-N 2 0 360.546 3.202 20 0 FGADRP C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)CC[NH+]2CCc3ccccc3C2)C1 ZINC000416146200 499958307 /nfs/dbraw/zinc/95/83/07/499958307.db2.gz UIXQIIXIEMRTHB-JQVVWYNYSA-N 2 0 369.553 3.299 20 0 FGADRP C[C@@H](CCNC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)[N@H+](C)Cc1ccccc1 ZINC000428957371 499968552 /nfs/dbraw/zinc/96/85/52/499968552.db2.gz QONOHFBVXYUOIE-ROUUACIJSA-N 2 0 362.562 3.173 20 0 FGADRP C[C@H](NC(=O)CC[N@@H+]1CCc2ccccc2C1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000416189162 499974519 /nfs/dbraw/zinc/97/45/19/499974519.db2.gz ACUNMJUDLDBMRT-AZUAARDMSA-N 2 0 369.553 3.204 20 0 FGADRP CC[NH+]1CCC(N2CCC[N@H+](Cc3cnc(C(C)C)s3)CC2)CC1 ZINC000421368843 500028398 /nfs/dbraw/zinc/02/83/98/500028398.db2.gz GRBJEFWSPNQWPM-UHFFFAOYSA-N 2 0 350.576 3.259 20 0 FGADRP C[NH+](C)C1CCC([NH2+]C2CCC(N3C(=O)c4ccccc4C3=O)CC2)CC1 ZINC000421371157 500029554 /nfs/dbraw/zinc/02/95/54/500029554.db2.gz KFTSUBAOFBQKPM-UHFFFAOYSA-N 2 0 369.509 3.056 20 0 FGADRP CC[NH+]1CCC(N2CCC[N@H+](Cc3cc4ccc(F)cc4[nH]3)CC2)CC1 ZINC000421382892 500033411 /nfs/dbraw/zinc/03/34/11/500033411.db2.gz YTMHPWSBOQTQOI-UHFFFAOYSA-N 2 0 358.505 3.299 20 0 FGADRP [NH3+]CCC[C@H](NC(=O)NC1CC[NH+](CC2CCCC2)CC1)c1ccccc1 ZINC000417334986 500042558 /nfs/dbraw/zinc/04/25/58/500042558.db2.gz RYQPKBBDTZUCCL-NRFANRHFSA-N 2 0 372.557 3.420 20 0 FGADRP CC(C)(C[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)C1(O)CCOCC1 ZINC000417350993 500046193 /nfs/dbraw/zinc/04/61/93/500046193.db2.gz ATTXRQYFJVPJEV-PWRODBHTSA-N 2 0 372.553 3.054 20 0 FGADRP O=C(NCc1cccc(C[NH+]2CCCCCC2)c1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000417351684 500047147 /nfs/dbraw/zinc/04/71/47/500047147.db2.gz DEOMENSKHQDXGS-OAQYLSRUSA-N 2 0 370.541 3.099 20 0 FGADRP CC(C)C[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C1CC1)[NH2+][C@@H](C)c1ccccc1 ZINC000429364309 500060499 /nfs/dbraw/zinc/06/04/99/500060499.db2.gz QSGFHQSSGWZPTE-DSKINZAPSA-N 2 0 357.542 3.495 20 0 FGADRP CC[NH+](CC)[C@@H](C(=O)N1CC[C@H](C[NH2+]C)C1)c1cccc(C(F)(F)F)c1 ZINC000429459375 500081991 /nfs/dbraw/zinc/08/19/91/500081991.db2.gz YAUJPBDBDIMTTJ-RHSMWYFYSA-N 2 0 371.447 3.156 20 0 FGADRP C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)NCc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000417472036 500083815 /nfs/dbraw/zinc/08/38/15/500083815.db2.gz WECFFCLVTUXFNC-WIYYLYMNSA-N 2 0 372.557 3.330 20 0 FGADRP C[NH+](C)CCOc1ccc(NC(=O)c2cccc(C[NH+](C)C)c2)c(F)c1 ZINC000413901311 500090753 /nfs/dbraw/zinc/09/07/53/500090753.db2.gz MTSJZCRWRPCNOG-UHFFFAOYSA-N 2 0 359.445 3.080 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(F)c(F)c1C ZINC000417545590 500103390 /nfs/dbraw/zinc/10/33/90/500103390.db2.gz XWZPZRHCEAOMNR-OAHLLOKOSA-N 2 0 368.472 3.153 20 0 FGADRP CC(C)[NH+](CCNC(=O)N[C@H](C[NH3+])c1ccc2ccccc2c1)C(C)C ZINC000416800288 500123736 /nfs/dbraw/zinc/12/37/36/500123736.db2.gz FKAKJKNPSSUCSG-HXUWFJFHSA-N 2 0 356.514 3.258 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N1CC[C@](C)(C[NH3+])C1)c1ccccc1Cl ZINC000416824858 500130818 /nfs/dbraw/zinc/13/08/18/500130818.db2.gz AGMTTYJHCVIFKM-IEBWSBKVSA-N 2 0 366.937 3.103 20 0 FGADRP [NH3+]C[C@@H](NC(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1)C1CCCCC1 ZINC000416847236 500137028 /nfs/dbraw/zinc/13/70/28/500137028.db2.gz VBADFAVWCWBVKP-SJORKVTESA-N 2 0 364.559 3.092 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)NC[C@H]1CCC[NH2+]C1)c1ccccc1Cl ZINC000416853707 500138171 /nfs/dbraw/zinc/13/81/71/500138171.db2.gz UIIQNRKHAOBKMY-MAUKXSAKSA-N 2 0 366.937 3.022 20 0 FGADRP [NH3+]C[C@H](NC(=O)N1CCCC[C@@H]1c1ncc[nH]1)c1ccc2ccccc2c1 ZINC000579453350 506178467 /nfs/dbraw/zinc/17/84/67/506178467.db2.gz CMDKIXUUYYEZLA-RBUKOAKNSA-N 2 0 363.465 3.500 20 0 FGADRP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N2CCCC[C@H]2[C@H](C)[NH3+])CC1 ZINC000417677191 500147129 /nfs/dbraw/zinc/14/71/29/500147129.db2.gz FPDQPRSPUJBXMJ-QKLQHJQFSA-N 2 0 358.530 3.123 20 0 FGADRP C[NH2+]CCC1CCN(C(=O)NC2CC[NH+]([C@@H](C)c3ccccc3)CC2)CC1 ZINC000417687884 500149408 /nfs/dbraw/zinc/14/94/08/500149408.db2.gz IHGKSYNHYTWQBO-SFHVURJKSA-N 2 0 372.557 3.243 20 0 FGADRP CC[NH+](CC)Cc1ccc(CNC(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)cc1 ZINC000416893932 500149472 /nfs/dbraw/zinc/14/94/72/500149472.db2.gz YJACHSMXBNHGDJ-OAQYLSRUSA-N 2 0 372.557 3.202 20 0 FGADRP C[C@@H]([NH2+]C1(CNC(=O)N[C@@H]2CC[NH2+][C@H](C)C2)CCCC1)c1ccccc1 ZINC000417696167 500150806 /nfs/dbraw/zinc/15/08/06/500150806.db2.gz BZVSWGZCVPGMOG-ZHALLVOQSA-N 2 0 358.530 3.090 20 0 FGADRP O=C(NCCCCC[NH+]1CCCCC1)N1CCCC[C@H]1[C@@H]1CCC[NH2+]C1 ZINC000417698634 500151865 /nfs/dbraw/zinc/15/18/65/500151865.db2.gz DVIDBUQDUJWNAX-UXHICEINSA-N 2 0 364.578 3.206 20 0 FGADRP C[C@H]([NH2+]CCc1ccc(OCC[NH+]2C[C@@H](C)[C@H](C)C2)cc1)c1ccn(C)n1 ZINC000414094198 500152204 /nfs/dbraw/zinc/15/22/04/500152204.db2.gz GIMJCMJJLMTCAF-QRVBRYPASA-N 2 0 370.541 3.280 20 0 FGADRP CC(C)c1ccc([C@@H]([NH3+])CNC(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)cc1 ZINC000417702894 500152882 /nfs/dbraw/zinc/15/28/82/500152882.db2.gz JEOLDPDOYQXRIN-ICSRJNTNSA-N 2 0 358.530 3.126 20 0 FGADRP CCC(CC)(CNC(=O)N(C)C1CC[NH2+]CC1)[NH2+][C@@H](C)c1ccccc1 ZINC000417703595 500152986 /nfs/dbraw/zinc/15/29/86/500152986.db2.gz LMNRXYFVVVFREE-KRWDZBQOSA-N 2 0 360.546 3.289 20 0 FGADRP CCC(CC)(CNC(=O)NC1CCC([NH3+])CC1)[NH2+][C@H](C)c1ccccc1 ZINC000417706992 500153140 /nfs/dbraw/zinc/15/31/40/500153140.db2.gz PQLKLDYFIPUHNP-IPJUCJBFSA-N 2 0 360.546 3.465 20 0 FGADRP CCC(CC)(CNC(=O)N[C@@H]1CC[NH2+][C@H](C)C1)[NH2+][C@H](C)c1ccccc1 ZINC000417705160 500153263 /nfs/dbraw/zinc/15/32/63/500153263.db2.gz NFSVAKORSCCACP-ZHALLVOQSA-N 2 0 360.546 3.336 20 0 FGADRP CC(C)(C)O[C@@H]1C[C@H]([NH2+]Cc2ccccc2C[N@@H+]2CC[C@@H](O)C2)C1(C)C ZINC000414101261 500153747 /nfs/dbraw/zinc/15/37/47/500153747.db2.gz BQSWKWACLHKKOX-HSALFYBXSA-N 2 0 360.542 3.325 20 0 FGADRP Clc1cccc(-c2noc(CC[N@@H+]3CCCC[C@H]3[C@@H]3CC[NH2+]C3)n2)c1 ZINC000579455045 506179027 /nfs/dbraw/zinc/17/90/27/506179027.db2.gz NWGJCATYCXLBHL-WBVHZDCISA-N 2 0 360.889 3.397 20 0 FGADRP C[C@H]([NH2+]C1(CNC(=O)N[C@H]2CC[C@@H](C[NH3+])C2)CCCC1)c1ccccc1 ZINC000417713869 500155245 /nfs/dbraw/zinc/15/52/45/500155245.db2.gz YTAVJLNTFAGKIX-SCTDSRPQSA-N 2 0 358.530 3.077 20 0 FGADRP CC(C)[C@H](C[NH2+][C@H](C)Cc1ccc(F)cc1Cl)N1CC[NH+](C)CC1 ZINC000421821399 500158997 /nfs/dbraw/zinc/15/89/97/500158997.db2.gz REOXHIHONGRXKV-BEFAXECRSA-N 2 0 355.929 3.272 20 0 FGADRP COc1ccc([C@@H]([NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)C(C)C)c(F)c1 ZINC000421830466 500161194 /nfs/dbraw/zinc/16/11/94/500161194.db2.gz JYAOGLKBHSIRAD-UZLBHIALSA-N 2 0 352.494 3.358 20 0 FGADRP CC(C)Cn1ccnc1CNC(=O)NC[C@@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000417742215 500161710 /nfs/dbraw/zinc/16/17/10/500161710.db2.gz VWPSRSKKMDLBOJ-GOSISDBHSA-N 2 0 357.502 3.162 20 0 FGADRP COc1ccc([C@@H]([NH2+]CCCC[N@@H+]2CCC[C@H]2CO)C2CC2)c(F)c1 ZINC000421838579 500161879 /nfs/dbraw/zinc/16/18/79/500161879.db2.gz VOQOJBGZHRSYML-JXFKEZNVSA-N 2 0 350.478 3.112 20 0 FGADRP COC1([C@H](C)[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CCOCC1 ZINC000421876080 500168005 /nfs/dbraw/zinc/16/80/05/500168005.db2.gz YQEUCFFTPNFJCB-WJMWBRGCSA-N 2 0 358.526 3.356 20 0 FGADRP C[C@H](C[NH3+])NC(=O)NCc1ccccc1-c1ccc(C[NH+]2CCCC2)cc1 ZINC000416967123 500168754 /nfs/dbraw/zinc/16/87/54/500168754.db2.gz WRFMHDNEOFMQNC-QGZVFWFLSA-N 2 0 366.509 3.096 20 0 FGADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000416969953 500170209 /nfs/dbraw/zinc/17/02/09/500170209.db2.gz MFWVZGSNCAWITI-FPOVZHCZSA-N 2 0 372.557 3.058 20 0 FGADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N2CCC[C@H](CC[NH3+])C2)cc1 ZINC000416972857 500171178 /nfs/dbraw/zinc/17/11/78/500171178.db2.gz IUPTYJOIABUACO-AZUAARDMSA-N 2 0 372.557 3.331 20 0 FGADRP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000416973755 500172092 /nfs/dbraw/zinc/17/20/92/500172092.db2.gz KFXUWRRMLKDVMY-WMQCIHAUSA-N 2 0 370.541 3.097 20 0 FGADRP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000416976124 500172883 /nfs/dbraw/zinc/17/28/83/500172883.db2.gz NWVUMXPOFRTUFI-GHTZIAJQSA-N 2 0 372.557 3.392 20 0 FGADRP C[C@H](CCNC(=O)N1CCC([C@H]2CCC[NH2+]2)CC1)[N@H+](C)Cc1ccccc1 ZINC000417806600 500175550 /nfs/dbraw/zinc/17/55/50/500175550.db2.gz BGNXGZKMXORUTM-WIYYLYMNSA-N 2 0 372.557 3.071 20 0 FGADRP C[NH2+]C[C@@H]1CCCN1C(=O)NCc1ccccc1C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000416989119 500176932 /nfs/dbraw/zinc/17/69/32/500176932.db2.gz AGDRJTXJNAAWEI-WFXMLNOXSA-N 2 0 372.557 3.058 20 0 FGADRP CC[NH+]1CCN(CCC[NH2+]Cc2cc(Cl)ccc2OCC2CC2)CC1 ZINC000430018725 500181824 /nfs/dbraw/zinc/18/18/24/500181824.db2.gz VKCLOKGJSZNFSC-UHFFFAOYSA-N 2 0 365.949 3.246 20 0 FGADRP CC(C)C[C@H](CNC(=O)N1CC[C@]2(CC[NH2+]C2)C1)[NH2+][C@H](C)c1ccccc1 ZINC000417882699 500191242 /nfs/dbraw/zinc/19/12/42/500191242.db2.gz VGCQFXBBSRTQHG-UZKOGDIHSA-N 2 0 372.557 3.147 20 0 FGADRP CCCC[N@H+](CC)Cc1cccc(CNC(=O)N2CCC[C@@H]2C[NH2+]C)c1 ZINC000417890358 500192978 /nfs/dbraw/zinc/19/29/78/500192978.db2.gz ZFVPAWUKRKOBTE-HXUWFJFHSA-N 2 0 360.546 3.202 20 0 FGADRP CCCC[C@H](C[NH3+])NC(=O)NCC[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000417923208 500198922 /nfs/dbraw/zinc/19/89/22/500198922.db2.gz KLMYVWYJJSJPFT-YSIASYRMSA-N 2 0 360.546 3.104 20 0 FGADRP C[N@@H+]1CC[C@H](NC(=O)N[C@H](CCC[NH3+])c2ccccc2)[C@H]1c1ccccc1 ZINC000417950168 500203330 /nfs/dbraw/zinc/20/33/30/500203330.db2.gz VVXYHDUDNBCINY-QHAWAJNXSA-N 2 0 366.509 3.211 20 0 FGADRP CC[C@H]([NH3+])CNC(=O)N[C@@H]1CCN(C(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000417977415 500207584 /nfs/dbraw/zinc/20/75/84/500207584.db2.gz BUGMPEKMEVRCCD-IAOVAPTHSA-N 2 0 370.900 3.039 20 0 FGADRP C[N@H+](Cc1ccc2ncccc2c1)C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000425935913 500214149 /nfs/dbraw/zinc/21/41/49/500214149.db2.gz GIWYWBMGMWMRLS-HSZRJFAPSA-N 2 0 361.489 3.304 20 0 FGADRP C[C@@]1(CNC(=O)NC[C@H]([NH3+])c2ccccc2)CCC[N@@H+]1Cc1ccccc1 ZINC000418044852 500220001 /nfs/dbraw/zinc/22/00/01/500220001.db2.gz NLHJKCYDZORMOV-UNMCSNQZSA-N 2 0 366.509 3.040 20 0 FGADRP CCCC[C@H](C[NH3+])NC(=O)NC[C@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000418044418 500220112 /nfs/dbraw/zinc/22/01/12/500220112.db2.gz ZWWALAYNJBCHQT-HZPDHXFCSA-N 2 0 374.451 3.125 20 0 FGADRP CC[NH+]1CCC(N2CCCN(C(=O)N[C@H](C)C3CCCCC3)CC2)CC1 ZINC000422224510 500237202 /nfs/dbraw/zinc/23/72/02/500237202.db2.gz FGBZVELQPSGBTM-GOSISDBHSA-N 2 0 364.578 3.157 20 0 FGADRP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)NC2CCC([NH+](C)C)CC2)C1 ZINC000422247633 500240741 /nfs/dbraw/zinc/24/07/41/500240741.db2.gz XJLPULCYABDEMQ-VCAKUFKGSA-N 2 0 364.578 3.155 20 0 FGADRP Cc1ccccc1[C@H]([C@H](C)NC(=O)N1CCC2(CC[NH2+]CC2)CC1)[NH+](C)C ZINC000418193318 500246923 /nfs/dbraw/zinc/24/69/23/500246923.db2.gz ZIHWHGLNJQGYER-ICSRJNTNSA-N 2 0 372.557 3.161 20 0 FGADRP CSc1ccc([C@@H](CNC(=O)NC[C@H]([NH3+])c2ccccc2)[NH+](C)C)cc1 ZINC000418228326 500252892 /nfs/dbraw/zinc/25/28/92/500252892.db2.gz DSUBUFJBMBIBKK-RBUKOAKNSA-N 2 0 372.538 3.010 20 0 FGADRP CC[NH2+]CC1CC[NH+]([C@@H](C)C(=O)N[C@H](C)c2cc3ccccc3o2)CC1 ZINC000430549657 500253049 /nfs/dbraw/zinc/25/30/49/500253049.db2.gz NJEAGLFAEJVMDP-CVEARBPZSA-N 2 0 357.498 3.320 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCN(c3ccccc3F)C2)[C@@H](C)C1 ZINC000426288836 500256992 /nfs/dbraw/zinc/25/69/92/500256992.db2.gz KIOLDJJFSHMMLN-NSHGMRRFSA-N 2 0 363.521 3.131 20 0 FGADRP C[C@H](NC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)[C@H]1CCC[NH2+]C1 ZINC000418311195 500260739 /nfs/dbraw/zinc/26/07/39/500260739.db2.gz LMRCANDHKNZKRF-JYAXBFRTSA-N 2 0 372.557 3.069 20 0 FGADRP C[C@H](c1ccc(Cl)c(Cl)c1)[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430615276 500262234 /nfs/dbraw/zinc/26/22/34/500262234.db2.gz AYSKEXVOSSVMEZ-UKRRQHHQSA-N 2 0 370.324 3.198 20 0 FGADRP CCC[C@@H]1CN(C(=O)N[C@H](C)[C@@H]2CCC[NH2+]C2)CC[N@@H+]1Cc1ccccc1 ZINC000418338142 500264687 /nfs/dbraw/zinc/26/46/87/500264687.db2.gz JQBWIWQULIYJMC-HMXCVIKNSA-N 2 0 372.557 3.071 20 0 FGADRP C[C@H](C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl)[NH+]1CCC(C[NH3+])CC1 ZINC000430635304 500264761 /nfs/dbraw/zinc/26/47/61/500264761.db2.gz VACPBGMCFLFGSL-NWDGAFQWSA-N 2 0 358.313 3.230 20 0 FGADRP [NH3+]C[C@@H](NC(=O)N1CCC(CCC[NH+]2CCCC2)CC1)C1CCCCC1 ZINC000418366489 500268712 /nfs/dbraw/zinc/26/87/12/500268712.db2.gz PVLKYRUNWCJWNK-HXUWFJFHSA-N 2 0 364.578 3.192 20 0 FGADRP C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)N[C@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000418410222 500273223 /nfs/dbraw/zinc/27/32/23/500273223.db2.gz OMLUDZRABQCSBA-SFTDATJTSA-N 2 0 372.557 3.058 20 0 FGADRP CC[N@H+](CCC1CCN(C(=O)N[C@@H](C[NH3+])CC(C)C)CC1)CC(C)C ZINC000418427560 500275472 /nfs/dbraw/zinc/27/54/72/500275472.db2.gz OEWAAKQIAVBUDP-LJQANCHMSA-N 2 0 354.583 3.149 20 0 FGADRP CCC([NH3+])(CC)CNC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000418426733 500275536 /nfs/dbraw/zinc/27/55/36/500275536.db2.gz MNEMAXVEDPAFKJ-VQTJNVASSA-N 2 0 372.557 3.200 20 0 FGADRP C[C@H]([NH3+])c1ccc(CNC(=O)N[C@@H](C[NH+](C)C)c2ccc(Cl)cc2)cc1 ZINC000418485318 500282191 /nfs/dbraw/zinc/28/21/91/500282191.db2.gz GXMPDEXKZXIABU-LIRRHRJNSA-N 2 0 374.916 3.462 20 0 FGADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@@H](C)c1cccc(N2CCCC2=O)c1 ZINC000422708722 500287488 /nfs/dbraw/zinc/28/74/88/500287488.db2.gz YACJWRDDLWLELI-LSDHHAIUSA-N 2 0 352.482 3.387 20 0 FGADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+]CCSCCOc1cccc(Br)c1 ZINC000422710476 500287848 /nfs/dbraw/zinc/28/78/48/500287848.db2.gz LIROPMXJOHQYPP-CABCVRRESA-N 2 0 359.333 3.031 20 0 FGADRP C[C@@H]1C[C@H](N(C)C(=O)NCC2(C)CC[NH2+]CC2)CC[N@@H+]1Cc1ccccc1 ZINC000418530086 500287914 /nfs/dbraw/zinc/28/79/14/500287914.db2.gz VHLHCNUNOPEAGK-UYAOXDASSA-N 2 0 372.557 3.071 20 0 FGADRP C[C@@H]([NH2+]Cc1ccc(OCCOc2ccc(Cl)cc2)cc1)C1C[NH2+]C1 ZINC000422719247 500289268 /nfs/dbraw/zinc/28/92/68/500289268.db2.gz YEWODNSTHYCLQX-OAHLLOKOSA-N 2 0 360.885 3.495 20 0 FGADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000422722288 500289787 /nfs/dbraw/zinc/28/97/87/500289787.db2.gz PBYKBBVLFSBXBP-BBRMVZONSA-N 2 0 352.404 3.369 20 0 FGADRP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@H]2[NH2+]CCCCC[NH+]1CCCCC1 ZINC000422720213 500290286 /nfs/dbraw/zinc/29/02/86/500290286.db2.gz SFZBZTMXGDTTIG-IFMALSPDSA-N 3 0 357.542 3.488 20 0 FGADRP CN(C)[C@H](C[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1cccc(F)c1 ZINC000422730330 500291229 /nfs/dbraw/zinc/29/12/29/500291229.db2.gz MBWSTQBLJYRBNS-KCZVDYSFSA-N 2 0 369.484 3.274 20 0 FGADRP CSc1nnc(CCC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)n1CC(C)C ZINC000422734110 500291481 /nfs/dbraw/zinc/29/14/81/500291481.db2.gz RVPCAQKWUGBMIG-GVDBMIGSSA-N 2 0 365.591 3.099 20 0 FGADRP COc1ccc([C@H](CN[C@@H](Cc2ccccc2)[C@@H](C)[NH3+])[NH+]2CCCC2)cc1 ZINC000422754181 500294672 /nfs/dbraw/zinc/29/46/72/500294672.db2.gz JFUUWQHHLFMRCF-LEOXJPRUSA-N 2 0 367.537 3.380 20 0 FGADRP CCOC(=O)C1([C@H](C)[NH2+]CCCSc2ccccc2)CC[NH2+]CC1 ZINC000422765445 500295170 /nfs/dbraw/zinc/29/51/70/500295170.db2.gz VYEDZTDGSWOHBK-INIZCTEOSA-N 2 0 350.528 3.080 20 0 FGADRP COCc1cc(C[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)ccc1F ZINC000422771115 500296208 /nfs/dbraw/zinc/29/62/08/500296208.db2.gz VKHFXCVQVGLPGR-FPOVZHCZSA-N 2 0 356.441 3.318 20 0 FGADRP C[C@H]([NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1)C1C[NH2+]C1 ZINC000422788420 500297681 /nfs/dbraw/zinc/29/76/81/500297681.db2.gz NKKKHBQAXHCDKW-HNNXBMFYSA-N 2 0 350.441 3.376 20 0 FGADRP CCOc1c(C[N@@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)c(C)nn1CC(C)C ZINC000582328232 506187822 /nfs/dbraw/zinc/18/78/22/506187822.db2.gz QLTZMXIPZGCBEC-LJQANCHMSA-N 2 0 362.562 3.410 20 0 FGADRP CCOC(=O)C1([C@H](C)[NH2+][C@@H]2CCCO[C@@H]2c2ccc(C)cc2)CC[NH2+]CC1 ZINC000422801766 500300034 /nfs/dbraw/zinc/30/00/34/500300034.db2.gz ANHOSHSMISDKMX-DFQSSKMNSA-N 2 0 374.525 3.126 20 0 FGADRP COC[C@@H](CCC[NH3+])[NH2+]Cc1ccc(CN2CCc3ccccc32)cc1 ZINC000422803066 500300479 /nfs/dbraw/zinc/30/04/79/500300479.db2.gz CJNMZJRIWDQCSC-OAQYLSRUSA-N 2 0 353.510 3.093 20 0 FGADRP Cc1cccc(N2CC[NH+](CCCC[NH2+][C@@H]3CCCC[C@@H]3C[NH3+])CC2)c1 ZINC000422809630 500300541 /nfs/dbraw/zinc/30/05/41/500300541.db2.gz MIFIIWNFKSRVQN-IFMALSPDSA-N 3 0 358.574 3.004 20 0 FGADRP COc1ccc([C@H](NCc2cccc(C[NH+](C)C)c2)[C@H]2CCC[NH2+]2)cc1 ZINC000422810074 500300918 /nfs/dbraw/zinc/30/09/18/500300918.db2.gz RBUOIMHLMLDVRP-YADHBBJMSA-N 2 0 353.510 3.340 20 0 FGADRP c1ccc2c(c1)CCN2CCC[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422812334 500301271 /nfs/dbraw/zinc/30/12/71/500301271.db2.gz XLMLBYNMBVGGRT-OFNKIYASSA-N 2 0 363.505 3.285 20 0 FGADRP Cc1ccc([C@@H]2OCCC[C@@H]2C[NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000422813664 500301475 /nfs/dbraw/zinc/30/14/75/500301475.db2.gz YKHHXKGTUWPYFA-BDHVOXNPSA-N 2 0 358.526 3.209 20 0 FGADRP Cc1cccc(N2CC[NH+](CCCC[NH2+][C@@H]3CCCCC[C@H]3[NH3+])CC2)c1 ZINC000422815501 500301638 /nfs/dbraw/zinc/30/16/38/500301638.db2.gz XRLRVWBLXMYAQN-FGZHOGPDSA-N 3 0 358.574 3.147 20 0 FGADRP c1ccc2c(c1)O[C@@]1(CC[NH2+]C1)C[C@H]2[NH2+]Cc1ccc(N2CCCC2)nc1 ZINC000422828667 500303338 /nfs/dbraw/zinc/30/33/38/500303338.db2.gz OUEBVWCYKBHUIQ-KNQAVFIVSA-N 2 0 364.493 3.027 20 0 FGADRP FC(F)(F)c1ccc(NCCC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)nc1 ZINC000422833319 500303525 /nfs/dbraw/zinc/30/35/25/500303525.db2.gz MLCSEVBJRQDLAB-GVDBMIGSSA-N 2 0 370.463 3.225 20 0 FGADRP CCN(CC[NH+]1CCCCCC1)C(=O)N[C@H](CCC[NH3+])c1ccccc1 ZINC000418673010 500305567 /nfs/dbraw/zinc/30/55/67/500305567.db2.gz MYHPSSYLFHDHBG-HXUWFJFHSA-N 2 0 360.546 3.374 20 0 FGADRP Cc1nn(-c2ccc(F)cc2)cc1C[NH2+][C@H](C)c1ccc(C[NH3+])nc1C ZINC000422852185 500305911 /nfs/dbraw/zinc/30/59/11/500305911.db2.gz XQCZUFLPDPVDNZ-CQSZACIVSA-N 2 0 353.445 3.333 20 0 FGADRP COC[C@@H](CCC[NH3+])[NH2+][C@@H](C)c1cccc(NC(=O)c2ccccc2)c1 ZINC000422860844 500306593 /nfs/dbraw/zinc/30/65/93/500306593.db2.gz LXJLWEALCLCDLO-OXJNMPFZSA-N 2 0 355.482 3.343 20 0 FGADRP C[C@H](C[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)N(C)c1ccccc1 ZINC000422863454 500307561 /nfs/dbraw/zinc/30/75/61/500307561.db2.gz PBLQEVWKMARJDF-NQSCKRDGSA-N 2 0 351.494 3.357 20 0 FGADRP C[C@@H](CCC[NH3+])[NH2+][C@@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000422873053 500308090 /nfs/dbraw/zinc/30/80/90/500308090.db2.gz JQDWMAVIDVLWEI-CMPLNLGQSA-N 2 0 350.816 3.050 20 0 FGADRP C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000418689069 500308625 /nfs/dbraw/zinc/30/86/25/500308625.db2.gz UPNAKMGZXIRSNP-UFYCRDLUSA-N 2 0 372.557 3.058 20 0 FGADRP COc1cc(OC)cc(N2CC[C@H](C[NH2+][C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)C2)c1 ZINC000422874918 500308782 /nfs/dbraw/zinc/30/87/82/500308782.db2.gz OFXICWGUSVVHDY-XUFNMVPLSA-N 2 0 373.541 3.040 20 0 FGADRP C[C@@H]([NH3+])[C@@H](C)NC(=O)N(CC[N@H+](C)Cc1ccccc1)Cc1ccccc1 ZINC000418701416 500309462 /nfs/dbraw/zinc/30/94/62/500309462.db2.gz GGYQOPLZRFZDJF-RTBURBONSA-N 2 0 368.525 3.066 20 0 FGADRP C[NH2+]C[C@H]1CC[N@H+](CCC(=O)Nc2ccccc2Oc2ccccc2)C1 ZINC000430935273 500309543 /nfs/dbraw/zinc/30/95/43/500309543.db2.gz SNKZSPUHYIOWKI-QGZVFWFLSA-N 2 0 353.466 3.349 20 0 FGADRP Cc1ccc(CNC(=O)c2cccc(C[NH2+][C@H]3CCC[C@H]3C[NH3+])c2)cc1 ZINC000422883291 500310070 /nfs/dbraw/zinc/31/00/70/500310070.db2.gz QJBXRZPAVVJZMM-SFTDATJTSA-N 2 0 351.494 3.142 20 0 FGADRP c1ccc2cc(OCCC[NH2+][C@@H]3CCOC[C@H]3[C@H]3CCC[NH2+]3)ccc2c1 ZINC000422883916 500310135 /nfs/dbraw/zinc/31/01/35/500310135.db2.gz DGVOQNRIIHYSRO-BHDDXSALSA-N 2 0 354.494 3.355 20 0 FGADRP COC[C@@H](CCC[NH3+])[NH2+]C[C@H](c1ccccc1)N1CCc2sccc2C1 ZINC000422883284 500310282 /nfs/dbraw/zinc/31/02/82/500310282.db2.gz QIYADRCKAYGOEQ-WOJBJXKFSA-N 2 0 373.566 3.191 20 0 FGADRP COC1CC[NH+](C2(CN[C@@H](C)C[C@H]3CCCCC[NH2+]3)CCCC2)CC1 ZINC000422891683 500311935 /nfs/dbraw/zinc/31/19/35/500311935.db2.gz VYPQKNLNKQCHJA-RBUKOAKNSA-N 2 0 351.579 3.310 20 0 FGADRP CC[NH+](CC)CCOc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000422893643 500312035 /nfs/dbraw/zinc/31/20/35/500312035.db2.gz QVSQRZGVQXGPDX-BHDDXSALSA-N 3 0 359.558 3.418 20 0 FGADRP C[C@H]([NH2+]C[C@H]1CCN(c2cccc(Br)c2)C1)[C@@H]1CCC[NH2+]1 ZINC000422896130 500312083 /nfs/dbraw/zinc/31/20/83/500312083.db2.gz HJRHXXRKENNBBA-VBQJREDUSA-N 2 0 352.320 3.006 20 0 FGADRP COc1ccc(OCCC[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422900634 500313724 /nfs/dbraw/zinc/31/37/24/500313724.db2.gz QVBIXDRGDGLCEH-IFMALSPDSA-N 2 0 368.477 3.310 20 0 FGADRP COCCOc1cccc(C[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000422901859 500313810 /nfs/dbraw/zinc/31/38/10/500313810.db2.gz SMHAZNREUXYOJL-IRLDBZIGSA-N 2 0 368.477 3.057 20 0 FGADRP CCOC(=O)C1([C@@H](C)[NH2+]CC2(Sc3ccccc3)CC2)CC[NH2+]CC1 ZINC000422907498 500314643 /nfs/dbraw/zinc/31/46/43/500314643.db2.gz LKJODNMPQWJFCP-MRXNPFEDSA-N 2 0 362.539 3.222 20 0 FGADRP C[C@H](C[C@H]1CCCCC[NH2+]1)Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1 ZINC000422916529 500316020 /nfs/dbraw/zinc/31/60/20/500316020.db2.gz DJQJYNJRJCFZNJ-YLJYHZDGSA-N 2 0 372.557 3.107 20 0 FGADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]CCOc1ncc(C(F)(F)F)cc1Cl ZINC000422920838 500317119 /nfs/dbraw/zinc/31/71/19/500317119.db2.gz MXDAEABLMNUKMB-GXFFZTMASA-N 2 0 351.800 3.110 20 0 FGADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CCc1cc(Cl)c2c(c1)OCCO2 ZINC000422928815 500318526 /nfs/dbraw/zinc/31/85/26/500318526.db2.gz MTUNEJQFUWGSKG-GFCCVEGCSA-N 2 0 361.873 3.167 20 0 FGADRP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000418768409 500320509 /nfs/dbraw/zinc/32/05/09/500320509.db2.gz MBHMTWDGFKYZRI-LEWJYISDSA-N 2 0 372.557 3.072 20 0 FGADRP Fc1ccc(OCC[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1F ZINC000422960783 500324112 /nfs/dbraw/zinc/32/41/12/500324112.db2.gz XRTGZZXPSFVZLV-QUCCMNQESA-N 2 0 360.404 3.189 20 0 FGADRP O=C(CCC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1)N1CCc2ccccc21 ZINC000422961334 500324589 /nfs/dbraw/zinc/32/45/89/500324589.db2.gz YWYPJXMWCADHDW-SLFFLAALSA-N 2 0 355.526 3.256 20 0 FGADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1ccc(OCCOc2ccccc2)nc1 ZINC000422971894 500325579 /nfs/dbraw/zinc/32/55/79/500325579.db2.gz KAXJSSNEJNZVCM-PXNSSMCTSA-N 2 0 355.482 3.017 20 0 FGADRP CCOc1cccc(CC[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000422995408 500328190 /nfs/dbraw/zinc/32/81/90/500328190.db2.gz KCFCYBZQTCEQMD-RBBKRZOGSA-N 2 0 352.478 3.473 20 0 FGADRP C[C@H]([NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)[C@@H]1COc2ccccc21 ZINC000423004664 500329662 /nfs/dbraw/zinc/32/96/62/500329662.db2.gz POLLXESDAANQKA-XCRNZQRYSA-N 2 0 350.462 3.397 20 0 FGADRP CN1C[C@H](C[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)Cc2ccccc21 ZINC000423062505 500337481 /nfs/dbraw/zinc/33/74/81/500337481.db2.gz UFVLUZJHKAGGPJ-WGGBDISSSA-N 2 0 363.505 3.141 20 0 FGADRP c1ccc(CN2CCSC[C@@H]2C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000423075634 500339565 /nfs/dbraw/zinc/33/95/65/500339565.db2.gz PABBEHCCBQYHCZ-UWHLTILDSA-N 2 0 359.583 3.114 20 0 FGADRP COC(=O)c1csc(-c2cccc(C[NH2+][C@H]3CCCC[C@H]3C[NH3+])c2)n1 ZINC000423080920 500339957 /nfs/dbraw/zinc/33/99/57/500339957.db2.gz UAHIBGCPTYOQED-HOTGVXAUSA-N 2 0 359.495 3.204 20 0 FGADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1cnn(-c2ccc(Br)cc2)c1 ZINC000423091733 500341215 /nfs/dbraw/zinc/34/12/15/500341215.db2.gz YMZQSARBGQGZML-DYVFJYSZSA-N 2 0 363.303 3.113 20 0 FGADRP Clc1ccc(-c2ncc(C[NH2+][C@H](C3CC3)[C@H]3CNCCO3)s2)cc1 ZINC000423112824 500343709 /nfs/dbraw/zinc/34/37/09/500343709.db2.gz YBGZMXRVJVMDHE-IAGOWNOFSA-N 2 0 363.914 3.320 20 0 FGADRP C[C@@H](NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2)[C@@H]1CCCC[NH2+]1 ZINC000423127646 500345608 /nfs/dbraw/zinc/34/56/08/500345608.db2.gz CGTQQNWQFLFDLL-FCEUIQTBSA-N 3 0 371.569 3.035 20 0 FGADRP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC000427038766 500346994 /nfs/dbraw/zinc/34/69/94/500346994.db2.gz QOQLQLHLTQUWPV-GOSISDBHSA-N 2 0 372.557 3.235 20 0 FGADRP COC[C@H](CCC[NH3+])[NH2+]CC1(c2ccccc2Br)CCC1 ZINC000423137636 500347245 /nfs/dbraw/zinc/34/72/45/500347245.db2.gz WOMICKAJJKTHDK-AWEZNQCLSA-N 2 0 355.320 3.214 20 0 FGADRP CCOC(=O)C1([C@H](C)[NH2+]C[C@H]2CCC[C@@H]2c2ccccc2)CC[NH2+]CC1 ZINC000423153407 500349221 /nfs/dbraw/zinc/34/92/21/500349221.db2.gz GLRVVJXAHIMIFN-DFQSSKMNSA-N 2 0 358.526 3.481 20 0 FGADRP FC(F)(F)c1cc(C[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)ccn1 ZINC000423161526 500350175 /nfs/dbraw/zinc/35/01/75/500350175.db2.gz SFINSIFYOOMXBY-YJBOKZPZSA-N 2 0 363.383 3.446 20 0 FGADRP CO[C@H]1c2ccccc2C[C@H]1[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423173190 500351099 /nfs/dbraw/zinc/35/10/99/500351099.db2.gz XIJAZCXIVGJGHL-WAGURGNTSA-N 2 0 350.462 3.144 20 0 FGADRP C[C@H]([NH2+]CCCN1CC[NH2+]CC1)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000423185732 500352359 /nfs/dbraw/zinc/35/23/59/500352359.db2.gz WAHUCZNUQOOQCF-SFHVURJKSA-N 2 0 371.500 3.351 20 0 FGADRP CCOc1ccc([C@@H]([NH2+]CCN2CC[NH2+]CC2)c2ccccc2Cl)cc1 ZINC000423199774 500354767 /nfs/dbraw/zinc/35/47/67/500354767.db2.gz CQMSNNRVSRHUKP-OAQYLSRUSA-N 2 0 373.928 3.323 20 0 FGADRP C[C@H]([NH2+]CC[C@@H]1CC[NH2+]C1)c1ccc(OC[C@H]2CCCCO2)c(F)c1 ZINC000423250525 500358567 /nfs/dbraw/zinc/35/85/67/500358567.db2.gz QMSGGMZCIMHSSU-XYJFISCASA-N 2 0 350.478 3.424 20 0 FGADRP C[C@@H](C[NH3+])C[NH2+][C@@H](C)CC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000423302348 500362368 /nfs/dbraw/zinc/36/23/68/500362368.db2.gz HEGJZTCRCVIGDS-UWVGGRQHSA-N 2 0 351.800 3.260 20 0 FGADRP CC(C)[C@@H](C(=O)NC[C@H](c1cccs1)[NH+]1CCC(C)CC1)[C@H](C)[NH3+] ZINC000423311226 500363584 /nfs/dbraw/zinc/36/35/84/500363584.db2.gz SZIZUJBUPFMYQA-LZLYRXPVSA-N 2 0 351.560 3.257 20 0 FGADRP CC[N@H+](C)Cc1cccc(CNC(=O)C(C)(C)[C@H]([NH3+])c2ccccc2)c1 ZINC000423356916 500366559 /nfs/dbraw/zinc/36/65/59/500366559.db2.gz RIXZALDXSSWSTQ-HXUWFJFHSA-N 2 0 353.510 3.481 20 0 FGADRP CC(C)(C)[NH+]1CCC(N[C@H]2C[NH2+]CC[C@H]2c2ccc(F)c(F)c2)CC1 ZINC000423360509 500367591 /nfs/dbraw/zinc/36/75/91/500367591.db2.gz FRHGRDVEBAFTJU-LPHOPBHVSA-N 2 0 351.485 3.263 20 0 FGADRP C[C@@H]([NH3+])c1ccc(C(=O)NCC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000423372500 500368439 /nfs/dbraw/zinc/36/84/39/500368439.db2.gz VULWHXSMLRHWDM-QGZVFWFLSA-N 2 0 351.494 3.348 20 0 FGADRP C[C@H]([NH2+][C@@H]1CC[NH2+]C[C@H]1C)c1ccc(F)c(I)c1 ZINC000423395822 500370586 /nfs/dbraw/zinc/37/05/86/500370586.db2.gz NPTJPSWAOAXBOL-ISTVAULSSA-N 2 0 362.230 3.079 20 0 FGADRP Cc1cc2c(cc1C)[C@@H]([NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F)CCS2 ZINC000423397164 500370590 /nfs/dbraw/zinc/37/05/90/500370590.db2.gz UKAFAEVNYCVDFX-RDJZCZTQSA-N 2 0 373.488 3.266 20 0 FGADRP C[C@H]([NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1cccc2ccccc21 ZINC000423403715 500370789 /nfs/dbraw/zinc/37/07/89/500370789.db2.gz ZKNDVUBIQUKUAD-KBXCAEBGSA-N 2 0 351.416 3.327 20 0 FGADRP C[C@H]([NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1)c1ccccc1I ZINC000423421872 500373642 /nfs/dbraw/zinc/37/36/42/500373642.db2.gz BDEMGAHCCSQWRG-HZUKXOBISA-N 2 0 370.278 3.330 20 0 FGADRP C[C@H]([NH2+]C[C@H]1NCCc2ccccc21)c1ccc(OCC[NH+](C)C)cc1 ZINC000423445793 500375431 /nfs/dbraw/zinc/37/54/31/500375431.db2.gz YQSBCLNBLOEIEH-HTAPYJJXSA-N 2 0 353.510 3.165 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)C[C@@H]1CC[NH2+]C1)c1ccc(C(F)(F)F)cc1 ZINC000427269741 500375768 /nfs/dbraw/zinc/37/57/68/500375768.db2.gz NCODNCLRPKYQSD-WMLDXEAASA-N 2 0 371.447 3.204 20 0 FGADRP COc1ccc([C@@H](C)[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)c(Br)c1 ZINC000423451733 500375929 /nfs/dbraw/zinc/37/59/29/500375929.db2.gz YNHMVKVYGCJPEE-XQAQDONZSA-N 2 0 353.304 3.496 20 0 FGADRP O=C1c2ccccc2C(=O)N1[C@@H]1CCCC[C@H]([NH2+]CCC[C@@H]2CCC[NH2+]2)C1 ZINC000423470987 500376463 /nfs/dbraw/zinc/37/64/63/500376463.db2.gz DSBHJYXLSUUCAH-OKZBNKHCSA-N 2 0 369.509 3.106 20 0 FGADRP C[C@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)c1ccc(I)cc1 ZINC000423471060 500376529 /nfs/dbraw/zinc/37/65/29/500376529.db2.gz DVOFCKMUJIXWKA-SWLSCSKDSA-N 2 0 358.267 3.474 20 0 FGADRP C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)C[C@H]3CCC[NH2+]CC3)cc2)C1 ZINC000427277636 500376981 /nfs/dbraw/zinc/37/69/81/500376981.db2.gz YNXHYJFCEGMIJQ-MOPGFXCFSA-N 2 0 357.542 3.315 20 0 FGADRP Fc1ccc([C@@H]2CC[NH2+]C[C@@H]2C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)cc1 ZINC000423479280 500377358 /nfs/dbraw/zinc/37/73/58/500377358.db2.gz UXPPDFBEEGQCHN-RQSWOZRGSA-N 2 0 358.501 3.456 20 0 FGADRP C[C@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)c1ccccc1Br ZINC000423509036 500380270 /nfs/dbraw/zinc/38/02/70/500380270.db2.gz LEMUHVUBDZBRSD-FHERZECASA-N 2 0 366.347 3.316 20 0 FGADRP C[C@@H]([NH2+][C@H](CCC[NH3+])c1ccccc1)c1cccc(NS(C)(=O)=O)c1 ZINC000423511469 500380482 /nfs/dbraw/zinc/38/04/82/500380482.db2.gz TUOSZSMKJOHPAQ-DNVCBOLYSA-N 2 0 361.511 3.189 20 0 FGADRP CC(C)[C@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)c1ccc2[nH]c(=O)oc2c1 ZINC000423510238 500380681 /nfs/dbraw/zinc/38/06/81/500380681.db2.gz MJRYOQTZDUDBCN-UHYCVJNDSA-N 2 0 372.513 3.037 20 0 FGADRP C[C@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)c1ccc(Br)s1 ZINC000423512224 500381331 /nfs/dbraw/zinc/38/13/31/500381331.db2.gz OKCHJSPCEIPEOX-HSBZDZAISA-N 2 0 372.376 3.378 20 0 FGADRP COc1ccc([C@@H](C)[NH2+]CC2(N)CC[NH+](Cc3ccccc3)CC2)cc1O ZINC000423533739 500383783 /nfs/dbraw/zinc/38/37/83/500383783.db2.gz YJMQCPAYUFCSHK-QGZVFWFLSA-N 2 0 369.509 3.045 20 0 FGADRP c1ccc(C[N@@H+]2CC[C@H]([NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@@H]4C3)[C@@H]3CCC[C@H]32)cc1 ZINC000423549982 500384302 /nfs/dbraw/zinc/38/43/02/500384302.db2.gz NNLHJZWNWGGFIB-LLFXUEIYSA-N 3 0 353.554 3.407 20 0 FGADRP C[C@H](Cc1ccc(Br)cc1F)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000423548485 500384512 /nfs/dbraw/zinc/38/45/12/500384512.db2.gz RHXBPYIKZWRCDM-XKVFNRALSA-N 2 0 355.295 3.497 20 0 FGADRP CCC1(CC)[C@H]([NH2+]CC2(N)CC[NH+](Cc3ccccc3)CC2)C[C@@H]1OC ZINC000423554295 500385026 /nfs/dbraw/zinc/38/50/26/500385026.db2.gz HAICAXKPUXARMP-UXHICEINSA-N 2 0 359.558 3.163 20 0 FGADRP COc1ccccc1[C@H](CNC(=O)CC[C@@H]1CCCC[N@@H+]1C)[NH+]1CCCC1 ZINC000431572949 500393816 /nfs/dbraw/zinc/39/38/16/500393816.db2.gz YWVAYRMHUIOONK-ICSRJNTNSA-N 2 0 373.541 3.213 20 0 FGADRP C[NH+](C)CCN(CCCc1ccccc1)C(=O)C[C@H]([NH3+])c1ccccc1 ZINC000423735765 500397374 /nfs/dbraw/zinc/39/73/74/500397374.db2.gz BAAAQMBMGSBGGR-NRFANRHFSA-N 2 0 353.510 3.100 20 0 FGADRP C[C@H]([NH3+])c1ccc(C(=O)N2CCC[N@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000423775577 500400787 /nfs/dbraw/zinc/40/07/87/500400787.db2.gz MJUPIAKBWXHONP-ROUUACIJSA-N 2 0 351.494 3.443 20 0 FGADRP CC[NH+](CC)C[C@H]1CCCC[C@H]1NC(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000431768161 500422026 /nfs/dbraw/zinc/42/20/26/500422026.db2.gz CUPHMNITULQJJJ-IEBWSBKVSA-N 2 0 366.594 3.449 20 0 FGADRP CSC1(C[NH2+][C@H](C)c2ccc3c(c2)OCCCO3)CC[NH+](C)CC1 ZINC000570555452 506194622 /nfs/dbraw/zinc/19/46/22/506194622.db2.gz CMRVHLPRJJKUJQ-OAHLLOKOSA-N 2 0 350.528 3.326 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)C[C@H](c1ccccc1)[NH+](C)C ZINC000431830264 500430347 /nfs/dbraw/zinc/43/03/47/500430347.db2.gz JHKPEYRKIMGKRU-STZQEDGTSA-N 2 0 365.521 3.316 20 0 FGADRP [NH3+][C@@H]1CCCC[C@@H]1CC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000573442793 506195048 /nfs/dbraw/zinc/19/50/48/506195048.db2.gz QNXPHPFTOOTCHP-MBDNFAEBSA-N 2 0 369.553 3.407 20 0 FGADRP CC(C)(C(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000424018771 500437939 /nfs/dbraw/zinc/43/79/39/500437939.db2.gz JWMIIVKZOUSZCT-UHFFFAOYSA-N 2 0 365.521 3.074 20 0 FGADRP CCOC(=O)c1c(C)c2ccccc2nc1C[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000420309934 500438808 /nfs/dbraw/zinc/43/88/08/500438808.db2.gz LTGYXHATPZIUCV-MRXNPFEDSA-N 2 0 355.482 3.281 20 0 FGADRP C[C@@H]1SCC[N@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)[C@H]1c1ccccc1 ZINC000420309900 500439216 /nfs/dbraw/zinc/43/92/16/500439216.db2.gz UIVMUUNRERRXKB-LRGNLBRXSA-N 2 0 356.535 3.096 20 0 FGADRP CCOC(=O)c1c(C)c2ccccc2nc1C[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000420309931 500439400 /nfs/dbraw/zinc/43/94/00/500439400.db2.gz LTGYXHATPZIUCV-INIZCTEOSA-N 2 0 355.482 3.281 20 0 FGADRP CC[NH+]1CCN(Cc2ccc(NC(=O)CC[C@@H]3CCCC[N@@H+]3C)cc2)CC1 ZINC000431903430 500441568 /nfs/dbraw/zinc/44/15/68/500441568.db2.gz UBAKNSZTEVHXOJ-NRFANRHFSA-N 2 0 372.557 3.027 20 0 FGADRP [NH3+]C1(CNC(=O)c2ccc(Cl)cc2)CC[NH+](Cc2ccccc2)CC1 ZINC000424041043 500441970 /nfs/dbraw/zinc/44/19/70/500441970.db2.gz SJHKWFMMXMBKHM-UHFFFAOYSA-N 2 0 357.885 3.063 20 0 FGADRP Cc1c(Br)cccc1C[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000420327552 500442568 /nfs/dbraw/zinc/44/25/68/500442568.db2.gz GOGMERIREANYEG-SJORKVTESA-N 2 0 353.304 3.086 20 0 FGADRP C[C@@H](C(=O)Nc1ccc(C(F)(F)F)cc1)[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000420331072 500442985 /nfs/dbraw/zinc/44/29/85/500442985.db2.gz BLMHJXVMRADRIE-GUYCJALGSA-N 2 0 369.431 3.496 20 0 FGADRP O=C([C@H](c1ccccc1)[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1)N1CCCCC1 ZINC000420334338 500443335 /nfs/dbraw/zinc/44/33/35/500443335.db2.gz GFVDKQUNGKQYOD-SFTDATJTSA-N 2 0 355.526 3.204 20 0 FGADRP O=C(C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)N(Cc1ccccc1)c1ccccc1 ZINC000420334762 500444085 /nfs/dbraw/zinc/44/40/85/500444085.db2.gz LEDKMOLUIQPJDC-OYRHEFFESA-N 2 0 363.505 3.151 20 0 FGADRP [NH3+][C@@H]1CCO[C@@H](C2CC[NH+](CCOc3ccc(Cl)c(F)c3)CC2)C1 ZINC000420382571 500452039 /nfs/dbraw/zinc/45/20/39/500452039.db2.gz DQZZGOHJRBBCMQ-RDTXWAMCSA-N 2 0 356.869 3.076 20 0 FGADRP C[NH+](C)CCN1CCC([NH2+][C@@H](Cc2ccncc2)c2cccs2)CC1 ZINC000424265814 500478364 /nfs/dbraw/zinc/47/83/64/500478364.db2.gz KHHSIZSLNPSGKY-IBGZPJMESA-N 2 0 358.555 3.043 20 0 FGADRP CC(C)O[C@H](C[N@@H+]1CCN(C2CC[NH+](C)CC2)[C@H](C)C1)c1ccccc1 ZINC000428301309 500492972 /nfs/dbraw/zinc/49/29/72/500492972.db2.gz OWMTZGYBMNAPDC-DENIHFKCSA-N 2 0 359.558 3.253 20 0 FGADRP Cc1cc(C[NH3+])cc(NC(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)c1 ZINC000424426976 500502340 /nfs/dbraw/zinc/50/23/40/500502340.db2.gz BKWKKXCCAQHQJG-LJQANCHMSA-N 2 0 366.509 3.140 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)NC1CCC([NH+](C)C)CC1)c1ccsc1 ZINC000420796333 500503097 /nfs/dbraw/zinc/50/30/97/500503097.db2.gz LPDSIZJWSBYHGV-ABHNRTSZSA-N 2 0 366.575 3.303 20 0 FGADRP Cc1cc(C[NH3+])cc(NC(=O)NC(C)(C)C[N@H+](C)Cc2ccccc2)c1 ZINC000424432526 500504411 /nfs/dbraw/zinc/50/44/11/500504411.db2.gz HSCDPNNFBAKEBM-UHFFFAOYSA-N 2 0 354.498 3.486 20 0 FGADRP CCOc1cccc(CNCCC[N@@H+]2CCCO[C@@H](C)C2)c1OC(F)F ZINC000432370508 500506274 /nfs/dbraw/zinc/50/62/74/500506274.db2.gz UZDUYFXZQWVSHG-HNNXBMFYSA-N 2 0 372.456 3.277 20 0 FGADRP Cc1cc(C[NH3+])cc(NC(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)c1 ZINC000424445265 500506499 /nfs/dbraw/zinc/50/64/99/500506499.db2.gz OGXPQZOZWWGXIU-HXUWFJFHSA-N 2 0 352.482 3.412 20 0 FGADRP C[C@@H](NC(=O)NC1CCC([NH+](C)C)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000420827064 500510458 /nfs/dbraw/zinc/51/04/58/500510458.db2.gz RARHVCPLTBZCON-IDGBJLRDSA-N 2 0 372.557 3.069 20 0 FGADRP c1ccc(C[N@H+]2C[C@@H]3CCCC[C@H]([NH2+]CCCO[C@@H]4CCOC4)[C@H]3C2)cc1 ZINC000428473235 500514939 /nfs/dbraw/zinc/51/49/39/500514939.db2.gz LWRWZPVTGBAXNI-BJESRGMDSA-N 2 0 372.553 3.462 20 0 FGADRP COc1ccc2c(c1)[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)CCS2 ZINC000432428912 500515344 /nfs/dbraw/zinc/51/53/44/500515344.db2.gz OBBWOCAWUYKJPN-YJBOKZPZSA-N 2 0 350.528 3.323 20 0 FGADRP CC[NH+]1CCC(N2CCC[N@H+](CCSc3ccc(F)cc3)CC2)CC1 ZINC000420980774 500546473 /nfs/dbraw/zinc/54/64/73/500546473.db2.gz LXRMTOUVMXXZIK-UHFFFAOYSA-N 2 0 365.562 3.410 20 0 FGADRP CC[NH+]1CCC(N2CCC[N@H+](CCCOc3ccccc3C)CC2)CC1 ZINC000420977509 500546770 /nfs/dbraw/zinc/54/67/70/500546770.db2.gz IIMUSKRPJKCYNM-UHFFFAOYSA-N 2 0 359.558 3.256 20 0 FGADRP C[N@H+](CCC1CCOCC1)[C@@H]1CCC[NH+](CCC2CCOCC2)CC1 ZINC000432785226 500563561 /nfs/dbraw/zinc/56/35/61/500563561.db2.gz SDUHHBZYQNESPN-OAQYLSRUSA-N 2 0 352.563 3.406 20 0 FGADRP [NH3+]C[C@H]1C[N@H+](CCCOc2cccc(C(F)(F)F)c2)CC12CCOCC2 ZINC000576637538 506203636 /nfs/dbraw/zinc/20/36/36/506203636.db2.gz KVTBYTBGMADFRM-INIZCTEOSA-N 2 0 372.431 3.162 20 0 FGADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)NCC[NH+]2CCC3(CCCCC3)CC2)C1 ZINC000442594247 500602527 /nfs/dbraw/zinc/60/25/27/500602527.db2.gz LQQQQIJKNQMIMQ-IBGZPJMESA-N 2 0 364.578 3.016 20 0 FGADRP O=C(C[NH2+][C@H]1CC2CCC1CC2)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000433081542 500622123 /nfs/dbraw/zinc/62/21/23/500622123.db2.gz HHIYTXXVRRPFHL-NLPFYKDJSA-N 2 0 373.566 3.342 20 0 FGADRP c1ccc(C[NH+]2CCN(CC[NH2+][C@H]3CCCNc4ccccc43)CC2)cc1 ZINC000573525858 506207385 /nfs/dbraw/zinc/20/73/85/506207385.db2.gz MNIPWTPKMJEHAN-QHCPKHFHSA-N 2 0 364.537 3.341 20 0 FGADRP Cc1ccc([C@@H]2[C@H](C)CCCN2C(=O)CCC[NH+]2CCC([NH3+])CC2)cc1 ZINC000433124298 500631679 /nfs/dbraw/zinc/63/16/79/500631679.db2.gz BASWBOKTYLJTPG-GCJKJVERSA-N 2 0 357.542 3.498 20 0 FGADRP Cc1csc(-c2cccc(NC(=O)CCC[NH+]3CCC([NH3+])CC3)c2)n1 ZINC000433133184 500632213 /nfs/dbraw/zinc/63/22/13/500632213.db2.gz YNZUWKQFNCPWSD-UHFFFAOYSA-N 2 0 358.511 3.260 20 0 FGADRP [NH3+]C1CC[NH+](CCCC(=O)N(Cc2ccsc2)c2ccccc2)CC1 ZINC000433139474 500633623 /nfs/dbraw/zinc/63/36/23/500633623.db2.gz BGHAACIJLSYSGJ-UHFFFAOYSA-N 2 0 357.523 3.485 20 0 FGADRP C[C@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)c1ccc(OCC(F)(F)F)cc1 ZINC000442865783 500636318 /nfs/dbraw/zinc/63/63/18/500636318.db2.gz GTTDUEBXQYCIRT-HNNXBMFYSA-N 2 0 373.463 3.304 20 0 FGADRP Cc1coc(-c2cc(NC(=O)CCC[NH+]3CCC([NH3+])CC3)ccc2C)n1 ZINC000433173111 500638725 /nfs/dbraw/zinc/63/87/25/500638725.db2.gz JCOAGNDOVWCTDA-UHFFFAOYSA-N 2 0 356.470 3.100 20 0 FGADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]CC1(CO)CC(c2ccccc2)C1 ZINC000433187596 500642152 /nfs/dbraw/zinc/64/21/52/500642152.db2.gz OOZHGXJJGQLPEZ-UHFFFAOYSA-N 2 0 362.477 3.222 20 0 FGADRP [NH3+]CC[C@@H]1CCC[N@H+](Cc2nc(-c3cccc(Br)c3)c[nH]2)C1 ZINC000442929540 500649054 /nfs/dbraw/zinc/64/90/54/500649054.db2.gz RMEHDEARVUUFRP-ZDUSSCGKSA-N 2 0 363.303 3.400 20 0 FGADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H](O)Cc2ccc(C(F)(F)F)cc2)C[C@@H]1C ZINC000437570843 500662121 /nfs/dbraw/zinc/66/21/21/500662121.db2.gz RDKIOPZXAMHJDJ-JCGIZDLHSA-N 2 0 358.448 3.413 20 0 FGADRP COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443061202 500671267 /nfs/dbraw/zinc/67/12/67/500671267.db2.gz RDLHVWLPSWMXCB-KGLIPLIRSA-N 2 0 353.894 3.045 20 0 FGADRP [NH3+]CC[C@@H]1CCC[N@H+](CC(=O)Nc2ccccc2Cc2ccccc2)C1 ZINC000443065374 500672665 /nfs/dbraw/zinc/67/26/65/500672665.db2.gz ZRWDMMLYMNDXQJ-IBGZPJMESA-N 2 0 351.494 3.277 20 0 FGADRP CC(C)(C)[NH+]1CCC(NC(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)CC1 ZINC000437662498 500678473 /nfs/dbraw/zinc/67/84/73/500678473.db2.gz NBZKKTGQBBNHHF-IBGZPJMESA-N 2 0 364.578 3.346 20 0 FGADRP C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+]C1CCC([NH3+])CC1 ZINC000437777130 500693538 /nfs/dbraw/zinc/69/35/38/500693538.db2.gz SFUGUTLSBSZVCG-LMWSTFAQSA-N 2 0 354.292 3.026 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N[C@H](C)C(C)(C)C[NH+](C)C)c1ccsc1 ZINC000443232188 500699516 /nfs/dbraw/zinc/69/95/16/500699516.db2.gz BAKJBCHQSMUBPQ-NVXWUHKLSA-N 2 0 368.591 3.407 20 0 FGADRP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)NC[C@@H]1[NH+](C)CCCC1(C)C ZINC000447982216 500700949 /nfs/dbraw/zinc/70/09/49/500700949.db2.gz JJWBSPPPHYOIHF-ROUUACIJSA-N 2 0 352.567 3.061 20 0 FGADRP CC[NH+](CC)CCOc1ccc(NC(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000438051471 500731705 /nfs/dbraw/zinc/73/17/05/500731705.db2.gz QWQWSTPOKCDBSC-FUHWJXTLSA-N 2 0 362.518 3.011 20 0 FGADRP CC(C)[C@@H]([NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1)c1ccc(Cl)cc1 ZINC000433783833 500743684 /nfs/dbraw/zinc/74/36/84/500743684.db2.gz SKOBASCLCXQEQH-HXUWFJFHSA-N 2 0 363.933 3.370 20 0 FGADRP Cc1cc(C(F)(F)F)ccc1C[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000443639626 500747858 /nfs/dbraw/zinc/74/78/58/500747858.db2.gz GVEIIALLUFNWCR-APWZRJJASA-N 2 0 369.475 3.472 20 0 FGADRP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)NC[C@H]1CCC[NH+]1C1CCCCC1 ZINC000438327298 500770002 /nfs/dbraw/zinc/77/00/02/500770002.db2.gz LNUFYWKQQPZGQZ-UYAOXDASSA-N 2 0 364.578 3.299 20 0 FGADRP COc1ccc(C[NH2+]CCC2CC[NH+](C)CC2)c(OCc2cccnc2)c1 ZINC000443983740 500787357 /nfs/dbraw/zinc/78/73/57/500787357.db2.gz WTWCDYMAUUBRJE-UHFFFAOYSA-N 2 0 369.509 3.491 20 0 FGADRP Cc1ccc(C[NH2+]CC2CC[NH+](CC(=O)NC(C)(C)C)CC2)cc1Cl ZINC000443999733 500790302 /nfs/dbraw/zinc/79/03/02/500790302.db2.gz BWUVQGMBOZQPGX-UHFFFAOYSA-N 2 0 365.949 3.365 20 0 FGADRP CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)NCc1cccc(-n2ccnc2)c1 ZINC000438861905 500828322 /nfs/dbraw/zinc/82/83/22/500828322.db2.gz STCQRKLICDMOCE-HXUWFJFHSA-N 2 0 369.513 3.182 20 0 FGADRP O=C(NC[C@@H]1CCCC[NH+]1C1CC1)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000434446357 500843975 /nfs/dbraw/zinc/84/39/75/500843975.db2.gz TVBIEHITMSBLCS-RXVVDRJESA-N 2 0 373.516 3.171 20 0 FGADRP CCN1CCC[C@@H](C[N@H+](C)CCN(C)c2ccccc2)[C@@H]1c1cnn(C)c1 ZINC000434746829 500887900 /nfs/dbraw/zinc/88/79/00/500887900.db2.gz ONTJEUQKJPCMSO-SIKLNZKXSA-N 2 0 369.557 3.261 20 0 FGADRP O=C(C[N@@H+]1CCCC12CCC2)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000444780373 500899261 /nfs/dbraw/zinc/89/92/61/500899261.db2.gz FACNMNRTOTZRFA-UHFFFAOYSA-N 2 0 359.539 3.192 20 0 FGADRP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3cnc(-c4ccccc4F)s3)C2)CC1 ZINC000449023046 500901430 /nfs/dbraw/zinc/90/14/30/500901430.db2.gz MULDGKWGSFUDNN-MRXNPFEDSA-N 2 0 374.529 3.161 20 0 FGADRP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]CCc2cccc(C(N)=O)c2)CC1 ZINC000449059891 500914759 /nfs/dbraw/zinc/91/47/59/500914759.db2.gz RBWXWHZMSDATFA-GOSISDBHSA-N 2 0 365.521 3.013 20 0 FGADRP Cc1ccccc1-c1ccccc1C[NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000449134561 500932636 /nfs/dbraw/zinc/93/26/36/500932636.db2.gz KCOXBQUFIVIKRB-FQEVSTJZSA-N 2 0 365.521 3.339 20 0 FGADRP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]C[C@H](CO)c2ccccc2)CC1 ZINC000449167637 500939052 /nfs/dbraw/zinc/93/90/52/500939052.db2.gz AVSIFXDSOLVJBJ-SIKLNZKXSA-N 2 0 352.522 3.448 20 0 FGADRP C[C@@H](C[NH2+]CC[C@H](C)[NH+]1CCCCC1)c1ccc(S(C)(=O)=O)cc1 ZINC000449239142 500955454 /nfs/dbraw/zinc/95/54/54/500955454.db2.gz IEPAQJXQEBKCDU-IRXDYDNUSA-N 2 0 352.544 3.048 20 0 FGADRP C[C@H](NC(=O)NCC[N@@H+]1CCCC(C)(C)C1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000445247391 500959878 /nfs/dbraw/zinc/95/98/78/500959878.db2.gz IFJQNZIEGADGBJ-ZWKOTPCHSA-N 2 0 364.578 3.061 20 0 FGADRP C[C@H]([NH3+])C1CC[NH+](Cc2cn(-c3ccccc3)nc2-c2cccnc2)CC1 ZINC000435375331 500962400 /nfs/dbraw/zinc/96/24/00/500962400.db2.gz MAFRJWHBJIWGIL-KRWDZBQOSA-N 2 0 361.493 3.494 20 0 FGADRP C[NH2+]C[C@@H]1CCN(Cc2ccc(OCc3cn4cccc(C)c4n3)cc2)C1 ZINC000435385371 500965008 /nfs/dbraw/zinc/96/50/08/500965008.db2.gz RGSDCRKNFCTCJL-IBGZPJMESA-N 2 0 364.493 3.263 20 0 FGADRP COc1ccc(OCc2ccccn2)c(CN2CCC[C@@H]([C@H](C)[NH3+])C2)c1 ZINC000435386719 500965345 /nfs/dbraw/zinc/96/53/45/500965345.db2.gz VJKODEARUBKZSO-DLBZAZTESA-N 2 0 355.482 3.228 20 0 FGADRP C[C@H](Cc1ccccc1)[NH+]1CCC(NCCC[N@@H+]2CCCO[C@@H](C)C2)CC1 ZINC000449283367 500965638 /nfs/dbraw/zinc/96/56/38/500965638.db2.gz LMOLOPMQHQPPQT-RTWAWAEBSA-N 2 0 373.585 3.173 20 0 FGADRP c1ccc(CN(Cc2ccc(N3CCCC3)nc2)[C@H]2CCC[NH2+]CC2)nc1 ZINC000435391062 500966531 /nfs/dbraw/zinc/96/65/31/500966531.db2.gz CZRAQAVCURNGIU-NRFANRHFSA-N 2 0 365.525 3.221 20 0 FGADRP Cc1cccn2cc(COc3ccc(C[N@@H+]4CCC[C@H](C[NH3+])C4)cc3)nc12 ZINC000435394196 500967491 /nfs/dbraw/zinc/96/74/91/500967491.db2.gz MZSKHOXTQOMALH-LJQANCHMSA-N 2 0 364.493 3.392 20 0 FGADRP O=C(NC1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000440159847 500982216 /nfs/dbraw/zinc/98/22/16/500982216.db2.gz LGNLVHGKMUWVQA-NRFANRHFSA-N 2 0 355.526 3.174 20 0 FGADRP CCN(CC(=O)NCc1ccccc1OC1CCCC1)[C@H]1CCC[NH2+]CC1 ZINC000435615943 501002505 /nfs/dbraw/zinc/00/25/05/501002505.db2.gz JHIPRFZQWJQBGA-IBGZPJMESA-N 2 0 373.541 3.088 20 0 FGADRP CCN(CC(=O)N1CC[C@H](C)Sc2ccccc21)[C@H]1CCC[NH2+]CC1 ZINC000435628706 501004685 /nfs/dbraw/zinc/00/46/85/501004685.db2.gz RNMQYTDZUBJMSF-IRXDYDNUSA-N 2 0 361.555 3.368 20 0 FGADRP O=C(CC[N@H+](Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2)NC1CCCC1 ZINC000435698535 501013970 /nfs/dbraw/zinc/01/39/70/501013970.db2.gz WXNQFRHLGNFYLO-SFHVURJKSA-N 2 0 361.555 3.141 20 0 FGADRP CCCOc1c(OC)cc(CC[NH2+][C@@H]2CC[N@H+](CC)C[C@@H]2C)cc1OC ZINC000449487085 501015185 /nfs/dbraw/zinc/01/51/85/501015185.db2.gz WPQWAZMKNOVSDM-FUHWJXTLSA-N 2 0 364.530 3.355 20 0 FGADRP CCC[NH+]1CCN(c2ccccc2C[N@@H+]2CC[C@@H]3C[C@H](O)CC[C@@H]3C2)CC1 ZINC000449550154 501030621 /nfs/dbraw/zinc/03/06/21/501030621.db2.gz CJKKCSKMVBEBNP-KCZVDYSFSA-N 2 0 371.569 3.202 20 0 FGADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000440778844 501047558 /nfs/dbraw/zinc/04/75/58/501047558.db2.gz BUQPCANFDUYZCB-CTWPCTMYSA-N 2 0 352.567 3.061 20 0 FGADRP C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)c1 ZINC000449728182 501069844 /nfs/dbraw/zinc/06/98/44/501069844.db2.gz UBEMGTNWMMISDS-WIYYLYMNSA-N 2 0 351.494 3.176 20 0 FGADRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2c(Cl)ccc3cccnc32)CC1 ZINC000449744847 501073922 /nfs/dbraw/zinc/07/39/22/501073922.db2.gz KGNSRLUMSCLICQ-UHFFFAOYSA-N 2 0 360.933 3.394 20 0 FGADRP CN(CC1([NH+](C)C)CCC1)C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000446133649 501079853 /nfs/dbraw/zinc/07/98/53/501079853.db2.gz ABKPRQVZMSOVSN-UHFFFAOYSA-N 2 0 372.557 3.298 20 0 FGADRP C[NH+](Cc1ccc(C[N@@H+](C)[C@H](CO)C(C)(C)C)cc1)[C@@H](CO)C(C)(C)C ZINC000441064996 501082422 /nfs/dbraw/zinc/08/24/22/501082422.db2.gz IXPODNOKLGWNJW-BGYRXZFFSA-N 2 0 364.574 3.364 20 0 FGADRP Cn1ccnc1[C@@H]1C[C@H]([NH2+]CC(C)(C)C[N@H+](C)Cc2ccccc2)CCO1 ZINC000449772261 501082939 /nfs/dbraw/zinc/08/29/39/501082939.db2.gz KSOHLMFRTFPGRH-UXHICEINSA-N 2 0 370.541 3.388 20 0 FGADRP CN(c1ccccc1CNCC[N@@H+]1CCCC1(C)C)C1CC[NH+](C)CC1 ZINC000449783559 501085701 /nfs/dbraw/zinc/08/57/01/501085701.db2.gz PXUMJFIHAHIHOL-UHFFFAOYSA-N 2 0 358.574 3.181 20 0 FGADRP C[NH+](C)CCc1ccccc1NC(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000446589537 501138374 /nfs/dbraw/zinc/13/83/74/501138374.db2.gz KWRYGIUHXMDVDZ-IBGZPJMESA-N 2 0 358.530 3.177 20 0 FGADRP CCN(C(=O)NCC1([NH+](C)C)CCC1)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000446611697 501141723 /nfs/dbraw/zinc/14/17/23/501141723.db2.gz ACGGRCVUJVGGHA-AZUAARDMSA-N 2 0 372.557 3.338 20 0 FGADRP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH+]2CCC[C@@H]3CCC[C@H]32)CC1 ZINC000441449259 501141793 /nfs/dbraw/zinc/14/17/93/501141793.db2.gz IWGZCGFEKLMUAL-RBBKRZOGSA-N 2 0 369.553 3.294 20 0 FGADRP Cc1ccc([C@@H]([NH2+]CCC[N@@H+]2CCC[C@H](C(N)=O)C2)C2CCCC2)cc1 ZINC000446818270 501168160 /nfs/dbraw/zinc/16/81/60/501168160.db2.gz MURFKZOSXBINEK-SFTDATJTSA-N 2 0 357.542 3.403 20 0 FGADRP C[NH+](C)CCN(Cc1ccccc1)C(=O)NCC1([NH+](C)C)CCCCC1 ZINC000611637001 506238939 /nfs/dbraw/zinc/23/89/39/506238939.db2.gz LTWWBBBIDRUTEQ-UHFFFAOYSA-N 2 0 360.546 3.024 20 0 FGADRP O=C(CCC[NH+]1CCC(CCC[NH+]2CCOCC2)CC1)c1ccccc1 ZINC000450707518 501190664 /nfs/dbraw/zinc/19/06/64/501190664.db2.gz LIPFXLQRAHRSBJ-UHFFFAOYSA-N 2 0 358.526 3.474 20 0 FGADRP CO[C@H](C[NH2+][C@@H]1CCN(Cc2ccccn2)C[C@@H]1C)Cc1ccccc1 ZINC000450829383 501214748 /nfs/dbraw/zinc/21/47/48/501214748.db2.gz NSHCWFHFYAKNMR-YUXAGFNASA-N 2 0 353.510 3.139 20 0 FGADRP FC1(F)CC[C@@H](C[NH+]2CCN([C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)C1 ZINC000450980829 501236664 /nfs/dbraw/zinc/23/66/64/501236664.db2.gz GSTODIWLSJWQMV-UXHICEINSA-N 2 0 363.496 3.314 20 0 FGADRP CC(C)[C@H](C[NH2+][C@@H](C)c1cc(-c2ccccc2)nn1C)N1CC[NH+](C)CC1 ZINC000453097830 501268253 /nfs/dbraw/zinc/26/82/53/501268253.db2.gz WKBCKHSQLXRNGJ-AVRDEDQJSA-N 2 0 369.557 3.010 20 0 FGADRP CC(=O)N1CCC([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)CC1 ZINC000453097635 501268276 /nfs/dbraw/zinc/26/82/76/501268276.db2.gz USWPXDQVIYQCTO-YPAWHYETSA-N 2 0 355.526 3.030 20 0 FGADRP CC(=O)NC1CCC([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)CC1 ZINC000453102651 501269456 /nfs/dbraw/zinc/26/94/56/501269456.db2.gz YGHNIJOYGVXTMB-GPVXHPMSSA-N 2 0 369.553 3.467 20 0 FGADRP C[NH+](C)C1(CN[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)CCOCC1 ZINC000453126531 501274810 /nfs/dbraw/zinc/27/48/10/501274810.db2.gz SQARMHWETBJXHQ-YPAWHYETSA-N 2 0 371.569 3.130 20 0 FGADRP O=C(NCC[NH+]1CCCC1)c1ccc(C[NH2+][C@H](C2CC2)C2CCC2)cc1 ZINC000453135137 501276363 /nfs/dbraw/zinc/27/63/63/501276363.db2.gz CWTCVRYUZBHWEQ-NRFANRHFSA-N 2 0 355.526 3.181 20 0 FGADRP Cc1noc(CCC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)n1 ZINC000453156871 501281041 /nfs/dbraw/zinc/28/10/41/501281041.db2.gz HXOUHMFYFVGOEM-VAMGGRTRSA-N 2 0 354.498 3.343 20 0 FGADRP C[C@H]1C[N@H+](CCOc2ccc(CC[NH2+][C@@H]3CCn4ccnc43)cc2)C[C@H]1C ZINC000453160799 501282097 /nfs/dbraw/zinc/28/20/97/501282097.db2.gz IANIGVVBJCDPIG-LVCYWYKZSA-N 2 0 368.525 3.127 20 0 FGADRP CN(C)c1nccc(CN[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)n1 ZINC000453167457 501283027 /nfs/dbraw/zinc/28/30/27/501283027.db2.gz RPUXVDFAFJUAEI-PWRODBHTSA-N 2 0 365.525 3.075 20 0 FGADRP CC(C)(C)NC(=O)CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000453169619 501284185 /nfs/dbraw/zinc/28/41/85/501284185.db2.gz XVWHRGRLMSFKCC-XUVXKRRUSA-N 2 0 357.542 3.324 20 0 FGADRP OC[C@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21)c1cccnc1 ZINC000453234377 501295736 /nfs/dbraw/zinc/29/57/36/501295736.db2.gz SGHYOGRHIVUWHO-WBADGQHESA-N 2 0 365.521 3.190 20 0 FGADRP C[S@](=O)C1(C[NH2+]C[C@]2(C(C)(C)C)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000602656249 506247820 /nfs/dbraw/zinc/24/78/20/506247820.db2.gz NKVODTHHBGUKGJ-NLFFAJNJSA-N 2 0 362.583 3.426 20 0 FGADRP Cn1cc(C[N@@H+]2CCCCC[C@H]2C2CC[NH+](Cc3ccccc3)CC2)nn1 ZINC000453592708 501356420 /nfs/dbraw/zinc/35/64/20/501356420.db2.gz AZTABZRODFXICQ-QFIPXVFZSA-N 2 0 367.541 3.472 20 0 FGADRP Cc1ccc([C@@H](CNC(=O)NCC[C@H]2CCC[N@@H+](C)C2)[NH+]2CCCC2)cc1 ZINC000458157337 501381448 /nfs/dbraw/zinc/38/14/48/501381448.db2.gz UTYPTSMWCXETDG-TZIWHRDSSA-N 2 0 372.557 3.163 20 0 FGADRP C[C@H](C(=O)N(CC[NH+](C)C)Cc1ccsc1)[N@H+](C)Cc1ccccc1 ZINC000458194969 501389528 /nfs/dbraw/zinc/38/95/28/501389528.db2.gz BJNGKLKXKNZKLW-QGZVFWFLSA-N 2 0 359.539 3.159 20 0 FGADRP C[NH+](C)[C@@H]1CCc2cc(NC(=O)N3CC[NH+](C4CCCC4)CC3)ccc21 ZINC000455890625 501408101 /nfs/dbraw/zinc/40/81/01/501408101.db2.gz ZGPQHJLBVLBBEH-HXUWFJFHSA-N 2 0 356.514 3.328 20 0 FGADRP C[NH+](C)CCOc1ccc(NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)cc1F ZINC000458273192 501408471 /nfs/dbraw/zinc/40/84/71/501408471.db2.gz AIWXOKLXJUQXTR-GOSISDBHSA-N 2 0 363.477 3.112 20 0 FGADRP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)NC(C)(C)C[NH+]2CCCC2)CC1 ZINC000458424773 501441556 /nfs/dbraw/zinc/44/15/56/501441556.db2.gz VNRHCDYCDVLXOJ-SFHVURJKSA-N 2 0 372.557 3.386 20 0 FGADRP C[C@@H]1C[C@H](NC(=O)NC(C)(C)C[NH+]2CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000458481508 501454574 /nfs/dbraw/zinc/45/45/74/501454574.db2.gz DADXPDMJFQDFKR-UYAOXDASSA-N 2 0 372.557 3.213 20 0 FGADRP C[NH+](C)CCCC(C)(C)NC(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000458729791 501517248 /nfs/dbraw/zinc/51/72/48/501517248.db2.gz JNUXPJGYOWAAGW-GOSISDBHSA-N 2 0 352.567 3.203 20 0 FGADRP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)NC2CC[NH+](C3CCC3)CC2)C1 ZINC000454363426 501523883 /nfs/dbraw/zinc/52/38/83/501523883.db2.gz LNHRGHVPSVZHRD-IAGOWNOFSA-N 2 0 364.578 3.059 20 0 FGADRP C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)NCC[C@H]1CCC[NH+](C)C1 ZINC000459271214 501622565 /nfs/dbraw/zinc/62/25/65/501622565.db2.gz VWYGNNJCALUANY-PZJWPPBQSA-N 2 0 372.557 3.024 20 0 FGADRP C[C@H](NC(=O)N1CC[NH+](C(C)(C)CC(C)(C)C)CC1)C1=CC[N@H+](C)CC1 ZINC000454801494 501633066 /nfs/dbraw/zinc/63/30/66/501633066.db2.gz DAWHYMGVKPKSOG-KRWDZBQOSA-N 2 0 364.578 3.179 20 0 FGADRP CC(C)C[C@@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)C(=O)Nc1nccs1 ZINC000459439075 501653932 /nfs/dbraw/zinc/65/39/32/501653932.db2.gz JYPVGWKZIUUIMD-QGZVFWFLSA-N 2 0 373.526 3.150 20 0 FGADRP C[N@H+](CCCCNC(=O)[C@@]12CCC[C@@H]1C[NH+](Cc1ccccc1)C2)C1CC1 ZINC000457170505 501661496 /nfs/dbraw/zinc/66/14/96/501661496.db2.gz QWKFBLDLIDSRCN-NFBKMPQASA-N 2 0 369.553 3.279 20 0 FGADRP O=C(NCCCCC[NH+]1CCCC1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000455109144 501689324 /nfs/dbraw/zinc/68/93/24/501689324.db2.gz DFBLOOYFMYIOPH-UHFFFAOYSA-N 2 0 364.578 3.349 20 0 FGADRP COc1ccc(C)cc1[C@H](C)[NH2+]CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000459657619 501694210 /nfs/dbraw/zinc/69/42/10/501694210.db2.gz NSMHMKPBEYYLSI-PXNSSMCTSA-N 2 0 369.509 3.073 20 0 FGADRP C[N@@H+]1CCC[C@@H](CC[NH2+]C2CCN(C(=O)c3ccccc3Cl)CC2)C1 ZINC000459727712 501704989 /nfs/dbraw/zinc/70/49/89/501704989.db2.gz HGHHOFOCDBRZDO-INIZCTEOSA-N 2 0 363.933 3.266 20 0 FGADRP C[N@@H+]1CCC[C@H](CC[NH2+]Cc2csc(-c3ccc4c(c3)OCO4)n2)C1 ZINC000459743213 501707276 /nfs/dbraw/zinc/70/72/76/501707276.db2.gz WXNMORDOTNHCDB-CQSZACIVSA-N 2 0 359.495 3.360 20 0 FGADRP COC(=O)c1ccc(C[NH2+]CC[C@H]2CCC[N@H+](C)C2)c(Br)c1 ZINC000459798408 501715404 /nfs/dbraw/zinc/71/54/04/501715404.db2.gz XRXVHXMIGFZJBT-CYBMUJFWSA-N 2 0 369.303 3.057 20 0 FGADRP C[C@H](CCCCN1C(=O)c2ccccc2C1=O)[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000459796018 501715453 /nfs/dbraw/zinc/71/54/53/501715453.db2.gz VXSZYZTURDCXLP-QZTJIDSGSA-N 2 0 371.525 3.163 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)NC2CC([NH+]3CCCCC3)C2)C1 ZINC000474186088 501735753 /nfs/dbraw/zinc/73/57/53/501735753.db2.gz TXXWQIPSLFBMTB-LPOKXYRGSA-N 2 0 364.578 3.059 20 0 FGADRP CCC(CC)(CNC(=O)c1ccnc(C[NH3+])c1)[NH2+][C@H](C)c1ccccc1 ZINC000463482664 501736766 /nfs/dbraw/zinc/73/67/66/501736766.db2.gz CJDBIAWLMXIEEM-MRXNPFEDSA-N 2 0 354.498 3.180 20 0 FGADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)N[C@@H](C[NH+]1CCCC1)c1ccc(OC)cc1 ZINC000477618924 501739315 /nfs/dbraw/zinc/73/93/15/501739315.db2.gz AZSKTZNAKUDWIY-LPHOPBHVSA-N 2 0 361.530 3.115 20 0 FGADRP CCCC[N@H+](C)C[C@H](C)NC(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000460168292 501747272 /nfs/dbraw/zinc/74/72/72/501747272.db2.gz JNNQQGQPXQEPKZ-AZUAARDMSA-N 2 0 360.546 3.243 20 0 FGADRP CC[NH+](CC)CC1CCN(C(=O)NCC2([NH+](C)C)CCCCCC2)CC1 ZINC000611717647 506271303 /nfs/dbraw/zinc/27/13/03/506271303.db2.gz CLUYODWKAYRTMH-UHFFFAOYSA-N 2 0 366.594 3.404 20 0 FGADRP CC[NH+]1CCN(CCC[NH2+][C@H](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000467295240 501762880 /nfs/dbraw/zinc/76/28/80/501762880.db2.gz KZHFMXGJUIXWCN-MRXNPFEDSA-N 2 0 357.464 3.254 20 0 FGADRP CCC(=O)N1CC[C@H]([NH2+][C@@H]2CCCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000485234104 501764459 /nfs/dbraw/zinc/76/44/59/501764459.db2.gz IYRPTQFRKJJTLF-FNAHDJPLSA-N 2 0 369.553 3.278 20 0 FGADRP C[C@H](CNC(=O)C1(C[NH+](C)C)CCCCC1)[N@@H+]1CCc2ccccc2C1 ZINC000460278960 501778956 /nfs/dbraw/zinc/77/89/56/501778956.db2.gz DIQOETUVZOBUHM-GOSISDBHSA-N 2 0 357.542 3.062 20 0 FGADRP C[NH+](C)CC1(C(=O)N2CCC[N@H+](Cc3ccccc3)CC2)CCCCC1 ZINC000460280849 501779818 /nfs/dbraw/zinc/77/98/18/501779818.db2.gz DQBXMXVFXGBMQK-UHFFFAOYSA-N 2 0 357.542 3.233 20 0 FGADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](C[C@H](O)Cc2ccc3ccccc3c2)C1 ZINC000470757933 501792460 /nfs/dbraw/zinc/79/24/60/501792460.db2.gz VYTCZLSGHHEZMY-DHIUTWEWSA-N 2 0 370.537 3.176 20 0 FGADRP C[NH+](C)[C@H](CNC(=O)C[NH+]1CCC(c2ccccc2)CC1)c1ccccc1 ZINC000460384645 501811037 /nfs/dbraw/zinc/81/10/37/501811037.db2.gz YBBCXFGRUUQHLM-JOCHJYFZSA-N 2 0 365.521 3.285 20 0 FGADRP O=C(C1CCC1)N1CCN(CCNc2ccnc3cc(Cl)ccc32)CC1 ZINC000477909772 501826109 /nfs/dbraw/zinc/82/61/09/501826109.db2.gz XBCGSEUYSQTVTP-UHFFFAOYSA-N 2 0 372.900 3.244 20 0 FGADRP CN(C(=O)NCC[NH+](C)C1CCCC1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000470893025 501844344 /nfs/dbraw/zinc/84/43/44/501844344.db2.gz QCWBAQONXGAEPW-NRFANRHFSA-N 2 0 372.557 3.167 20 0 FGADRP CC[C@@]1(C(=O)NCC2CC[NH+](Cc3ccccc3Cl)CC2)CCC[NH2+]1 ZINC000467696915 501846923 /nfs/dbraw/zinc/84/69/23/501846923.db2.gz WJGPLYMANRDVOV-FQEVSTJZSA-N 2 0 363.933 3.200 20 0 FGADRP CC[NH+](CC)[C@@H]1CCN(C(=O)NC[C@@H](C2CC2)[N@H+](C)Cc2ccccc2)C1 ZINC000478015647 501853892 /nfs/dbraw/zinc/85/38/92/501853892.db2.gz KGYGWGUVVRHUBU-RTWAWAEBSA-N 2 0 372.557 3.023 20 0 FGADRP C[N@H+](CCC(=O)Nc1cccc(C(F)(F)F)c1)C[C@@H]1CCC[NH+](C)C1 ZINC000485669294 501895371 /nfs/dbraw/zinc/89/53/71/501895371.db2.gz DYWSYDHJDJJGSR-CQSZACIVSA-N 2 0 357.420 3.308 20 0 FGADRP COC(=O)C[C@@H]1CC[C@H]([NH2+]CC2CC[NH+](Cc3ccccc3)CC2)[C@H]1C ZINC000474631150 501901556 /nfs/dbraw/zinc/90/15/56/501901556.db2.gz MPUUYOZRESKBST-YYWHXJBOSA-N 2 0 358.526 3.466 20 0 FGADRP CC[NH+]1CCN(CCC[NH2+][C@H](C)Cc2ccccc2C(F)(F)F)CC1 ZINC000481917087 501917687 /nfs/dbraw/zinc/91/76/87/501917687.db2.gz OZLYEXKZJBWSPL-MRXNPFEDSA-N 2 0 357.464 3.254 20 0 FGADRP C[C@@H]1CC[C@H](C)N1CC(=O)Nc1nc(CN2CCC[C@@H](C)C2)cs1 ZINC000467985602 501922165 /nfs/dbraw/zinc/92/21/65/501922165.db2.gz SUEIWOLSEIVDLA-KFWWJZLASA-N 2 0 350.532 3.186 20 0 FGADRP C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1)[C@@H](c1ccccc1)[NH+](C)C ZINC000471140669 501932555 /nfs/dbraw/zinc/93/25/55/501932555.db2.gz CIBYANYPQQISLJ-NYVOZVTQSA-N 2 0 365.521 3.459 20 0 FGADRP CC(C)[C@H](C(=O)NCc1ccccc1C[NH+]1C[C@@H](C)C[C@H](C)C1)[NH+](C)C ZINC000471216760 501957498 /nfs/dbraw/zinc/95/74/98/501957498.db2.gz RRTITAWTJCUXPX-BBTUJRGHSA-N 2 0 359.558 3.367 20 0 FGADRP Cc1cccc(CN(CC[NH+](C)C)C(=O)NCC(C)(C)C[NH+]2CCCC2)c1 ZINC000478408265 501971252 /nfs/dbraw/zinc/97/12/52/501971252.db2.gz LGDFJFMAFPPFSN-UHFFFAOYSA-N 2 0 374.573 3.190 20 0 FGADRP Cc1ccc([C@H](CNC(=O)NCC(C)(C)C[NH+]2CCCC2)[NH+](C)C)cc1 ZINC000478409573 501972194 /nfs/dbraw/zinc/97/21/94/501972194.db2.gz FEAWLLQSUVPKIO-IBGZPJMESA-N 2 0 360.546 3.019 20 0 FGADRP CC[C@H]([NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1)c1cccc(OC)c1 ZINC000482111790 501977759 /nfs/dbraw/zinc/97/77/59/501977759.db2.gz SIJAKMLBTUYLGY-QFIPXVFZSA-N 2 0 368.525 3.343 20 0 FGADRP C[C@H](C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)c1cccc(Cl)c1 ZINC000460991611 501982920 /nfs/dbraw/zinc/98/29/20/501982920.db2.gz ZIDRPFHLVFIHJA-INIZCTEOSA-N 2 0 353.938 3.176 20 0 FGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC2(c3ccccc3OC)CC2)[C@@H](C)C1 ZINC000482129039 501983355 /nfs/dbraw/zinc/98/33/55/501983355.db2.gz RKXIDNDLCMDILI-AZUAARDMSA-N 2 0 360.542 3.453 20 0 FGADRP COC(=O)c1cccc(C[NH+]2CCC(CC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)c1 ZINC000482165633 501995163 /nfs/dbraw/zinc/99/51/63/501995163.db2.gz RPNVKONBCPJFAY-QZTJIDSGSA-N 2 0 374.525 3.185 20 0 FGADRP CC1CC[NH+](CC(=O)N2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)CC1 ZINC000474941709 501999255 /nfs/dbraw/zinc/99/92/55/501999255.db2.gz CANBKEBLUCXSGD-QHCPKHFHSA-N 2 0 369.553 3.233 20 0 FGADRP C[C@H](CC[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1)OCc1ccccc1 ZINC000474979617 502010328 /nfs/dbraw/zinc/01/03/28/502010328.db2.gz YWTXHLFSEBEBLW-MEMABINQSA-N 2 0 371.569 3.225 20 0 FGADRP CC(C)[C@@H]1CCC[C@@H]1[NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000468426893 502056175 /nfs/dbraw/zinc/05/61/75/502056175.db2.gz FOIGPTMWYAMBGD-ACRUOGEOSA-N 2 0 357.542 3.298 20 0 FGADRP C[C@H](CNC(=O)c1ccc(Nc2cc[nH+]cc2)cc1)[N@@H+]1CCCC[C@@H]1C ZINC000468467388 502068733 /nfs/dbraw/zinc/06/87/33/502068733.db2.gz AKOVAMKZXZCLCH-DLBZAZTESA-N 2 0 352.482 3.240 20 0 FGADRP CC(C)[C@@H]1CCCC[C@@H]1[NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000482451704 502071904 /nfs/dbraw/zinc/07/19/04/502071904.db2.gz LGQFKRVAVZASKE-PMACEKPBSA-N 2 0 359.562 3.183 20 0 FGADRP C[C@H]([NH2+]CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)C(C)(C)c1ccccc1 ZINC000475141227 502077376 /nfs/dbraw/zinc/07/73/76/502077376.db2.gz VOVOKWZLVXYNGH-GHTZIAJQSA-N 2 0 367.537 3.361 20 0 FGADRP Cc1cccc([C@H](C)[NH2+]CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)c1C ZINC000475157685 502085673 /nfs/dbraw/zinc/08/56/73/502085673.db2.gz PMCAIERRGAYBSV-RXVVDRJESA-N 2 0 353.510 3.373 20 0 FGADRP COc1ccc2c(c1)[C@H]([NH2+]CCc1ccc(OCC[NH+](C)C)cc1)CC2 ZINC000482538893 502105425 /nfs/dbraw/zinc/10/54/25/502105425.db2.gz QQQHVYJPIPGYCY-JOCHJYFZSA-N 2 0 354.494 3.455 20 0 FGADRP CCC[NH+]1CCN(c2ccccc2C[N@@H+]2C[C@H](C)O[C@@H](C3CC3)C2)CC1 ZINC000475269895 502111347 /nfs/dbraw/zinc/11/13/47/502111347.db2.gz NVTQSTUVJKZUGK-PGRDOPGGSA-N 2 0 357.542 3.218 20 0 FGADRP C[C@H](C(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1)[NH+]1CCCCCC1 ZINC000461445747 502117051 /nfs/dbraw/zinc/11/70/51/502117051.db2.gz FQHPGMZJXSCTET-CEMLEFRQSA-N 2 0 369.553 3.231 20 0 FGADRP C[N@H+](Cc1ccccc1)CC(C)(C)NC(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000475376843 502153566 /nfs/dbraw/zinc/15/35/66/502153566.db2.gz YOOSRXCDGYGDGT-UHFFFAOYSA-N 2 0 372.557 3.213 20 0 FGADRP Cc1ncc([C@@H](C)[NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)c(C)n1 ZINC000482868864 502203329 /nfs/dbraw/zinc/20/33/29/502203329.db2.gz RIWSQUKKUJLAHN-MRXNPFEDSA-N 2 0 354.498 3.419 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC1(C(=O)N(C)C)CCCC1 ZINC000482940253 502221908 /nfs/dbraw/zinc/22/19/08/502221908.db2.gz DEGWXYSLIHYZPT-UYAOXDASSA-N 2 0 357.542 3.135 20 0 FGADRP CCN(CCC[NH+]1CCCC1)C(=O)NC[C@H](C1CCCCC1)[NH+](C)C ZINC000472094801 502228823 /nfs/dbraw/zinc/22/88/23/502228823.db2.gz FXVRTCFDYLXJEJ-LJQANCHMSA-N 2 0 352.567 3.014 20 0 FGADRP CC1CC[NH+](Cc2ccccc2CNC(=O)NCC2([NH+](C)C)CCC2)CC1 ZINC000479339862 502228914 /nfs/dbraw/zinc/22/89/14/502228914.db2.gz YEMFHGPAWBXCRO-UHFFFAOYSA-N 2 0 372.557 3.202 20 0 FGADRP CC[NH+]1CCN(c2ccc(C[NH2+]Cc3cc4ccc(F)cc4[nH]3)cn2)CC1 ZINC000486697211 502234554 /nfs/dbraw/zinc/23/45/54/502234554.db2.gz KRJOKZIOMMZRDP-UHFFFAOYSA-N 2 0 367.472 3.134 20 0 FGADRP Cc1ccccc1[C@@H]([C@H](C)NC(=O)NCC[NH+]1CCC(C)CC1)[NH+](C)C ZINC000479396642 502246005 /nfs/dbraw/zinc/24/60/05/502246005.db2.gz VTNUFIYMTQLMEJ-AZUAARDMSA-N 2 0 360.546 3.017 20 0 FGADRP CCc1ccc([C@H](CNC(=O)NCCC2CC[NH+](CC)CC2)[NH+](C)C)cc1 ZINC000465424808 502257731 /nfs/dbraw/zinc/25/77/31/502257731.db2.gz AYOMLKFQHHSWCV-NRFANRHFSA-N 2 0 374.573 3.273 20 0 FGADRP C[C@H](C(=O)N1CCC[N@H+](CCCc2ccccc2)CC1)[NH+]1CCCCCC1 ZINC000462014770 502274533 /nfs/dbraw/zinc/27/45/33/502274533.db2.gz NFVJGBPQOVDJRD-OAQYLSRUSA-N 2 0 371.569 3.418 20 0 FGADRP CC1CC[NH+](CCNC(=O)N2CC[C@@H](C)[N@H+](Cc3ccccc3)CC2)CC1 ZINC000465544577 502300223 /nfs/dbraw/zinc/30/02/23/502300223.db2.gz MSGXGXLAJNRBSD-HXUWFJFHSA-N 2 0 372.557 3.024 20 0 FGADRP CC[C@@H](C(=O)N1CCN([C@H](C)c2cccc(OC)c2)CC1)[NH+](CC)CC ZINC000469195754 502332740 /nfs/dbraw/zinc/33/27/40/502332740.db2.gz NJHVJCVUUNJUTP-XLIONFOSSA-N 2 0 361.530 3.021 20 0 FGADRP Cc1[nH]nc2ncc(C[N@@H+]3CCCC[C@@H]3[C@@H](C[NH3+])Cc3ccccc3)cc12 ZINC000472376859 502334459 /nfs/dbraw/zinc/33/44/59/502334459.db2.gz ZINOPDNGIJZRQN-TZIWHRDSSA-N 2 0 363.509 3.438 20 0 FGADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000475933135 502337216 /nfs/dbraw/zinc/33/72/16/502337216.db2.gz ZALGWARUWVITAB-INIZCTEOSA-N 2 0 363.571 3.383 20 0 FGADRP CC(C)CNC(=O)c1cccc(CN2CC[C@@H](C[N@H+](C)CC3CC3)C2)c1 ZINC000472457765 502356666 /nfs/dbraw/zinc/35/66/66/502356666.db2.gz UTKJBSHZUMVYLZ-FQEVSTJZSA-N 2 0 357.542 3.236 20 0 FGADRP C[C@@H]1CCC[C@](CNC(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)([NH+](C)C)C1 ZINC000465727643 502360863 /nfs/dbraw/zinc/36/08/63/502360863.db2.gz QYFHAQJVRVZQOQ-GGPKGHCWSA-N 2 0 352.567 3.013 20 0 FGADRP CCC[N@@H+]1CC[C@@H](CNC(=O)N2CC[C@@H](C)[NH+](Cc3ccccc3)CC2)C1 ZINC000465744684 502367215 /nfs/dbraw/zinc/36/72/15/502367215.db2.gz FFJHYJVOCXGBPC-CTNGQTDRSA-N 2 0 372.557 3.024 20 0 FGADRP C[C@H](NC(=O)CN(CCC[NH3+])Cc1ccccc1)c1ccc(Cl)cc1 ZINC000479781820 502375913 /nfs/dbraw/zinc/37/59/13/502375913.db2.gz VMPOSNHHJZUEFD-INIZCTEOSA-N 2 0 359.901 3.368 20 0 FGADRP Cc1ccc(CNC(=O)C2CC[NH+](CC[C@@H]3CCCC[N@H+]3C)CC2)cc1 ZINC000472576997 502389581 /nfs/dbraw/zinc/38/95/81/502389581.db2.gz AYCBOBHFOQBMTG-NRFANRHFSA-N 2 0 357.542 3.198 20 0 FGADRP CC[N@H+](CC(=O)OC(C)(C)C)C1CCN(c2[nH+]ccc3[nH]ccc32)CC1 ZINC000596208580 506310616 /nfs/dbraw/zinc/31/06/16/506310616.db2.gz ZBDTZYMDSBAYTN-UHFFFAOYSA-N 2 0 358.486 3.195 20 0 FGADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@@H](CO)Cc1ccccc1OC(F)(F)F ZINC000483451386 502396605 /nfs/dbraw/zinc/39/66/05/502396605.db2.gz CPDMWYAHERJMJB-PNBKFKSVSA-N 2 0 374.447 3.055 20 0 FGADRP CC[C@H](C)[N@H+](C)CCNC(=O)N(CC)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000465854869 502403819 /nfs/dbraw/zinc/40/38/19/502403819.db2.gz MYNHRBUILQHLGL-PZJWPPBQSA-N 2 0 374.573 3.270 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)C[C@@H]1C ZINC000483526652 502421627 /nfs/dbraw/zinc/42/16/27/502421627.db2.gz SGZUUMKSBZDMEK-RXVVDRJESA-N 2 0 372.557 3.165 20 0 FGADRP C[C@H]1C[C@H](NC(=O)NCc2ccccc2C[NH+]2CCCCCC2)CC[N@@H+]1C ZINC000465923177 502428648 /nfs/dbraw/zinc/42/86/48/502428648.db2.gz SMFIHPDFLIGZRM-GHTZIAJQSA-N 2 0 372.557 3.345 20 0 FGADRP CCCC[N@H+](C)CCNC(=O)NC[C@H]1CCC[NH+](C)[C@H]1c1cccs1 ZINC000465923002 502428979 /nfs/dbraw/zinc/42/89/79/502428979.db2.gz QKTFGKAKUJHTND-SJLPKXTDSA-N 2 0 366.575 3.162 20 0 FGADRP CC(C)[C@@H](C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1)[NH+](C)C ZINC000483567413 502434413 /nfs/dbraw/zinc/43/44/13/502434413.db2.gz JIGPKKFTJBXAHI-HBMCJLEFSA-N 2 0 357.542 3.086 20 0 FGADRP CC[NH+](CC)CC1CCN(C(=O)N[C@H](C)C[NH+]2CCCCCC2)CC1 ZINC000483626084 502446286 /nfs/dbraw/zinc/44/62/86/502446286.db2.gz QNCZWYYONRJRKQ-GOSISDBHSA-N 2 0 352.567 3.014 20 0 FGADRP Cc1cccc2c(NCc3ccc(N4CC[NH+](C)CC4)nc3)c(C)c[nH+]c12 ZINC000462476898 502455351 /nfs/dbraw/zinc/45/53/51/502455351.db2.gz BXISAZVVOLEGHU-UHFFFAOYSA-N 2 0 361.493 3.032 20 0 FGADRP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)[C@H]1CCCC[NH+]1Cc1ccccc1 ZINC000469568875 502466272 /nfs/dbraw/zinc/46/62/72/502466272.db2.gz MYAUXHMDRQCBEP-LEWJYISDSA-N 2 0 357.542 3.374 20 0 FGADRP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N(C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000462527416 502476196 /nfs/dbraw/zinc/47/61/96/502476196.db2.gz RKNIZDIFIGXRKI-DYXWJJEUSA-N 2 0 374.573 3.410 20 0 FGADRP CCC[NH+]1CCC(NC(=O)N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000466116025 502481850 /nfs/dbraw/zinc/48/18/50/502481850.db2.gz NBFRGNANCKJVAO-HXUWFJFHSA-N 2 0 372.557 3.024 20 0 FGADRP C[C@H]1CN(C(=O)NC[C@H](C2CCCCC2)[NH+](C)C)CC[N@@H+](C2CCC2)C1 ZINC000487847254 502546541 /nfs/dbraw/zinc/54/65/41/502546541.db2.gz ZWSXSXCVOUFMAQ-YLJYHZDGSA-N 2 0 364.578 3.013 20 0 FGADRP OC[C@@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+][C@@H]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000466365955 502548669 /nfs/dbraw/zinc/54/86/69/502548669.db2.gz YVBNORHRROPQQU-MSYGRNIXSA-N 2 0 372.553 3.328 20 0 FGADRP OCC[NH+]1CCC(C[NH2+]Cc2ccc(-c3cccc(F)c3F)o2)CC1 ZINC000480372412 502550301 /nfs/dbraw/zinc/55/03/01/502550301.db2.gz QLFAQQVSBRACGG-UHFFFAOYSA-N 2 0 350.409 3.019 20 0 FGADRP Cc1cc2cc(C[N@@H+]3CCC[C@H](CNC(=O)[C@H]4CCC[NH2+]4)C3)oc2cc1C ZINC000469857797 502570605 /nfs/dbraw/zinc/57/06/05/502570605.db2.gz XRXZFHNYKWVTPJ-YLJYHZDGSA-N 2 0 369.509 3.130 20 0 FGADRP Cc1nn(-c2ccc(Br)cc2)cc1C[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000469861927 502571931 /nfs/dbraw/zinc/57/19/31/502571931.db2.gz LTBJHQGPEPYVPH-OCCSQVGLSA-N 2 0 363.303 3.112 20 0 FGADRP COC(=O)c1cc(C[NH2+]Cc2ccccc2C[NH+]2CCCCC2)n(C)c1C ZINC000462788281 502573842 /nfs/dbraw/zinc/57/38/42/502573842.db2.gz FNSPWOAAXAQDMW-UHFFFAOYSA-N 2 0 369.509 3.396 20 0 FGADRP Cc1nn(C(C)C)cc1C[NH2+]CCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000462788632 502574017 /nfs/dbraw/zinc/57/40/17/502574017.db2.gz BMGPRVPCYAFSCH-UHFFFAOYSA-N 2 0 369.557 3.464 20 0 FGADRP CCOc1c(Br)cc(CN2C[C@@H](C[NH3+])C[C@@H]2C)cc1OC ZINC000469868052 502575831 /nfs/dbraw/zinc/57/58/31/502575831.db2.gz XBTPJFPCTKVEFC-WCQYABFASA-N 2 0 357.292 3.026 20 0 FGADRP CCC[C@H](C[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1)c1ccccc1 ZINC000469870494 502577205 /nfs/dbraw/zinc/57/72/05/502577205.db2.gz JJAFNXJPMMVUNV-CEWLAPEOSA-N 2 0 357.542 3.151 20 0 FGADRP CC(C)c1cc(NCC2CC[NH+](Cc3cccs3)CC2)nc(N(C)C)[nH+]1 ZINC000462804962 502582652 /nfs/dbraw/zinc/58/26/52/502582652.db2.gz SVYVMUXKVBJPRR-UHFFFAOYSA-N 2 0 373.570 3.474 20 0 FGADRP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000469884986 502583307 /nfs/dbraw/zinc/58/33/07/502583307.db2.gz RBXFLLXWEKXPNZ-BVSLBCMMSA-N 2 0 352.526 3.416 20 0 FGADRP CC(=O)NCCC[NH2+][C@H](CCC[NH+]1CCC(C)CC1)c1ccc(F)cc1 ZINC000462811758 502583865 /nfs/dbraw/zinc/58/38/65/502583865.db2.gz XSQMAQBRRGOYCL-OAQYLSRUSA-N 2 0 363.521 3.495 20 0 FGADRP CC1CC[NH+](CCC[C@@H]([NH2+]C[C@H]2COCCO2)c2ccc(F)cc2)CC1 ZINC000462817003 502585705 /nfs/dbraw/zinc/58/57/05/502585705.db2.gz NDSKIKQSFDENIZ-LEWJYISDSA-N 2 0 364.505 3.384 20 0 FGADRP Cc1nc([C@@H](C)[NH2+]CCCN2CC[NH+](Cc3ccccc3)CC2)cs1 ZINC000462884012 502612743 /nfs/dbraw/zinc/61/27/43/502612743.db2.gz NZWATFWEHNLSJG-QGZVFWFLSA-N 2 0 358.555 3.310 20 0 FGADRP C[NH+](C)Cc1c2ccccc2oc1C(=O)Nc1ccc2c(c1)C[NH2+]CCO2 ZINC000462886592 502614491 /nfs/dbraw/zinc/61/44/91/502614491.db2.gz ZSOSLQGLDOFGRP-UHFFFAOYSA-N 2 0 365.433 3.229 20 0 FGADRP Cc1ccccc1[C@H]([C@@H](C)NC(=O)NCCC[NH+]1CCCCC1)[NH+](C)C ZINC000476984058 502641016 /nfs/dbraw/zinc/64/10/16/502641016.db2.gz PZVVDDAUKFCHBH-QUCCMNQESA-N 2 0 360.546 3.161 20 0 FGADRP C[C@H]1CN(C(=O)NCCC[NH+](C)Cc2ccccc2)CC[N@@H+](C2CCC2)C1 ZINC000488172517 502646426 /nfs/dbraw/zinc/64/64/26/502646426.db2.gz BMGVQMJOYOZLCZ-LJQANCHMSA-N 2 0 372.557 3.024 20 0 FGADRP CC(C)[C@@H](C(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1)[NH+](C)C ZINC000477026082 502652816 /nfs/dbraw/zinc/65/28/16/502652816.db2.gz FWOZVFVGKCVCDE-FQEVSTJZSA-N 2 0 357.542 3.087 20 0 FGADRP CC[NH+]1CCN(CCC[NH2+][C@@H](C)c2oc3ccc(OC)cc3c2C)CC1 ZINC000480757282 502663539 /nfs/dbraw/zinc/66/35/39/502663539.db2.gz BATOLHBKTJGQKY-KRWDZBQOSA-N 2 0 359.514 3.428 20 0 FGADRP CCC[N@H+](CC)C[C@H](C)NC(=O)N1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000463061811 502679743 /nfs/dbraw/zinc/67/97/43/502679743.db2.gz LHSKAEJWJPAAMV-UFYCRDLUSA-N 2 0 366.594 3.403 20 0 FGADRP O=C(C[NH2+][C@@H]1CCCC[C@H]1c1ccccc1)NC1CC[NH+](C2CC2)CC1 ZINC000484609923 502681789 /nfs/dbraw/zinc/68/17/89/502681789.db2.gz BCTWYQJVMSPZGC-LEWJYISDSA-N 2 0 355.526 3.045 20 0 FGADRP CCCN(CC[NH+]1CCCC1)C(=O)N[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000484646314 502694969 /nfs/dbraw/zinc/69/49/69/502694969.db2.gz UNXBXRNIEMERII-FPOVZHCZSA-N 2 0 372.557 3.339 20 0 FGADRP C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000480961502 502715010 /nfs/dbraw/zinc/71/50/10/502715010.db2.gz LNWWNSXIYJDZHU-HNNXBMFYSA-N 2 0 351.922 3.133 20 0 FGADRP C[C@@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)[NH+]1CCCCCC1 ZINC000488478266 502725411 /nfs/dbraw/zinc/72/54/11/502725411.db2.gz BMYXMWSCGCJODI-DYXWJJEUSA-N 2 0 357.542 3.278 20 0 FGADRP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N(CC[NH+](C)C)C(C)C ZINC000470299635 502728570 /nfs/dbraw/zinc/72/85/70/502728570.db2.gz VODDGCKEVHVVDI-FQEVSTJZSA-N 2 0 362.562 3.125 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H](NC[C@]2([NH+](C)C)CCC[C@@H](C)C2)[C@H](C)C1 ZINC000481039583 502737445 /nfs/dbraw/zinc/73/74/45/502737445.db2.gz RRHVKWRBSZKEAU-CGXNFDGLSA-N 2 0 353.595 3.224 20 0 FGADRP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000481039591 502737497 /nfs/dbraw/zinc/73/74/97/502737497.db2.gz RRWNIUDXHLALSB-RTBURBONSA-N 2 0 358.574 3.392 20 0 FGADRP Cc1ccc([C@@H](CNC(=O)N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)[NH+](C)C)cc1 ZINC000488584018 502757411 /nfs/dbraw/zinc/75/74/11/502757411.db2.gz QHDJOYVARDJJBE-WIYYLYMNSA-N 2 0 372.557 3.114 20 0 FGADRP C[C@@H](C(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1)[NH+]1[C@H](C)CC[C@H]1C ZINC000463331665 502761135 /nfs/dbraw/zinc/76/11/35/502761135.db2.gz ZUILGXTZBQIZER-KFWWJZLASA-N 2 0 367.921 3.480 20 0 FGADRP C[C@@H]([NH3+])[C@@H]1CC[N@H+](CCC(=O)Nc2ccccc2Oc2ccccc2)C1 ZINC000484932127 502781120 /nfs/dbraw/zinc/78/11/20/502781120.db2.gz CXQAUEKCXVRZQF-IAGOWNOFSA-N 2 0 353.466 3.477 20 0 FGADRP CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000500899599 502889123 /nfs/dbraw/zinc/88/91/23/502889123.db2.gz GUVNHDPLYIQIBJ-HXUWFJFHSA-N 2 0 366.594 3.260 20 0 FGADRP C[C@H](C(=O)NCC1CCCCC1)[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501027682 502914664 /nfs/dbraw/zinc/91/46/64/502914664.db2.gz KYIIUIBTDOWHRO-GOSISDBHSA-N 2 0 372.557 3.315 20 0 FGADRP Cc1ccc(NC(=O)C[N@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)cc1F ZINC000501046686 502921502 /nfs/dbraw/zinc/92/15/02/502921502.db2.gz MLAZFJDEOYWJNA-UHFFFAOYSA-N 2 0 370.472 3.316 20 0 FGADRP COc1ccc2c(c1)C[C@H](C)[N@@H+](CCCN1CC[NH+](C(C)C)CC1)[C@@H]2C ZINC000501051812 502923256 /nfs/dbraw/zinc/92/32/56/502923256.db2.gz LMOPCIDHVQPBTP-RBUKOAKNSA-N 2 0 359.558 3.419 20 0 FGADRP CC[C@H](C)[NH2+][C@H](CNC(=O)N(C)[C@@H]1CC[N@H+](CC)C[C@H]1C)c1ccco1 ZINC000509591700 502943415 /nfs/dbraw/zinc/94/34/15/502943415.db2.gz RABBCQQMMROROT-XMTFNYHQSA-N 2 0 364.534 3.081 20 0 FGADRP CC[N@H+](Cc1ccc(C(=O)N2CC[C@@]3(C2)CCC[NH+](C)C3)cc1)C1CC1 ZINC000505607843 502948744 /nfs/dbraw/zinc/94/87/44/502948744.db2.gz MVCNDOUONOSYDF-QFIPXVFZSA-N 2 0 355.526 3.229 20 0 FGADRP C[C@@H]1C[C@@H](CC[NH2+]Cc2ccc3c(c2)nnn3C)C[N@@H+]1Cc1ccccc1 ZINC000513504710 502954196 /nfs/dbraw/zinc/95/41/96/502954196.db2.gz FACIIPMIVNGSSY-YLJYHZDGSA-N 2 0 363.509 3.359 20 0 FGADRP C[C@H](NC(=O)NC[C@H](c1cccs1)[NH+](C)C)[C@H](c1ccccc1)[NH+](C)C ZINC000505726876 502974259 /nfs/dbraw/zinc/97/42/59/502974259.db2.gz NWSMVJHKINHBFV-KVSKMBFKSA-N 2 0 374.554 3.341 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc2ccccc2s1 ZINC000505736596 502975991 /nfs/dbraw/zinc/97/59/91/502975991.db2.gz AAFAHQBPRJPQPC-QGZVFWFLSA-N 2 0 359.539 3.389 20 0 FGADRP CCCN(C)c1ccc(C(=O)N(CC[NH+](C)C)C[C@@H]2CCC[N@@H+]2CC)cc1 ZINC000505806127 502989530 /nfs/dbraw/zinc/98/95/30/502989530.db2.gz CEGKRXDFOVTQIE-NRFANRHFSA-N 2 0 374.573 3.021 20 0 FGADRP O=C(NC[C@H]1CCC[N@@H+]1CC1CCCCC1)C1CCN(CC(F)F)CC1 ZINC000497582851 502993494 /nfs/dbraw/zinc/99/34/94/502993494.db2.gz RDYDDJNRLMWRFC-GOSISDBHSA-N 2 0 371.516 3.124 20 0 FGADRP C/C(=C\c1ccccc1C(F)(F)F)C[NH2+]C[C@@H](C)N1CC[NH+](C)CC1 ZINC000501473820 503015967 /nfs/dbraw/zinc/01/59/67/503015967.db2.gz CMJZTPGUXUIVMK-ASNKMWSDSA-N 2 0 355.448 3.334 20 0 FGADRP C[C@@H](CNC(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1)[NH+]1CCCC[C@H]1C ZINC000501489627 503019341 /nfs/dbraw/zinc/01/93/41/503019341.db2.gz GLSFPLARSOJEJD-QRVBRYPASA-N 2 0 352.567 3.061 20 0 FGADRP C[C@H](CNC(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1)[NH+]1CCCC[C@@H]1C ZINC000501489625 503019601 /nfs/dbraw/zinc/01/96/01/503019601.db2.gz GLSFPLARSOJEJD-CEXWTWQISA-N 2 0 352.567 3.061 20 0 FGADRP O=C(NCC[NH+]1CCCCC1)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000497714890 503023086 /nfs/dbraw/zinc/02/30/86/503023086.db2.gz CDWLXHBKAKEJDH-UHFFFAOYSA-N 2 0 372.557 3.348 20 0 FGADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)NC[C@@H](c2ccsc2)[NH+](C)C)C1 ZINC000501504647 503023597 /nfs/dbraw/zinc/02/35/97/503023597.db2.gz RYPMLHLEPKZBOC-AEFFLSMTSA-N 2 0 366.575 3.162 20 0 FGADRP C[NH+](C)[C@@H](CNC(=O)NC[C@H](c1cccs1)[NH+](C)C)c1ccsc1 ZINC000501520490 503027392 /nfs/dbraw/zinc/02/73/92/503027392.db2.gz FHTGNIQNCIBSBU-LSDHHAIUSA-N 2 0 366.556 3.014 20 0 FGADRP OC(C[NH+]1CC[C@H](c2ccccc2)C1)C[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC000497767094 503037002 /nfs/dbraw/zinc/03/70/02/503037002.db2.gz IGZKTWURAJRCKY-VXKWHMMOSA-N 2 0 350.506 3.326 20 0 FGADRP COc1ccccc1[C@H](C)N(C)C(=O)C[N@H+](CCC[NH3+])CC1CCCC1 ZINC000489821778 503042674 /nfs/dbraw/zinc/04/26/74/503042674.db2.gz AQTQPWSVFUUDMA-KRWDZBQOSA-N 2 0 361.530 3.056 20 0 FGADRP CC(C)[C@H]([NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1)c1ccc(F)cn1 ZINC000497836590 503051686 /nfs/dbraw/zinc/05/16/86/503051686.db2.gz PABCIOGNGZVYJV-NRFANRHFSA-N 2 0 371.504 3.115 20 0 FGADRP OCC[NH+]1CCC(C[NH2+][C@H](c2cc3ccccc3o2)c2cccnc2)CC1 ZINC000497854688 503054967 /nfs/dbraw/zinc/05/49/67/503054967.db2.gz XEMJPNFLWQLWRY-QFIPXVFZSA-N 2 0 365.477 3.211 20 0 FGADRP C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000514032290 503071915 /nfs/dbraw/zinc/07/19/15/503071915.db2.gz FEUVHASHBGHRRH-OALUTQOASA-N 2 0 372.557 3.202 20 0 FGADRP Cc1ccc([C@H](CNC(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)[NH+]2CCCC2)cc1 ZINC000514053810 503076617 /nfs/dbraw/zinc/07/66/17/503076617.db2.gz BEFDBDNEAQWWSX-ACRUOGEOSA-N 2 0 370.541 3.058 20 0 FGADRP CC(C)[C@H](CNC(=O)N[C@@H](C)C[NH+]1CCCCC1)[NH+]1CCCCCC1 ZINC000501783566 503079144 /nfs/dbraw/zinc/07/91/44/503079144.db2.gz DJLGTSSALAHJIM-OALUTQOASA-N 2 0 352.567 3.061 20 0 FGADRP CCc1ccc([C@H](CNC(=O)N[C@H](C)C[NH+]2CCCCC2)[NH+](C)C)cc1 ZINC000501811393 503084329 /nfs/dbraw/zinc/08/43/29/503084329.db2.gz XMVJWSFEJSMYCI-XLIONFOSSA-N 2 0 360.546 3.025 20 0 FGADRP COCCOc1ccc([C@@H](C)[NH2+]C2CCC([NH+](C)C)CC2)cc1OC ZINC000514098835 503086945 /nfs/dbraw/zinc/08/69/45/503086945.db2.gz KBTPEVRQHYSCGZ-FAEJEUNOSA-N 2 0 350.503 3.244 20 0 FGADRP CCC[NH+]1CCC(CNC(=O)NC[C@@H](c2ccccc2)[NH+](CC)CC)CC1 ZINC000514144358 503097567 /nfs/dbraw/zinc/09/75/67/503097567.db2.gz DZAKFXXKUORYQI-NRFANRHFSA-N 2 0 374.573 3.491 20 0 FGADRP CCC[NH+]1CCC(NC(=O)N[C@H](C)[C@@H](c2ccccc2C)[NH+](C)C)CC1 ZINC000498106055 503107717 /nfs/dbraw/zinc/10/77/17/503107717.db2.gz FEDYYRNGGRDAER-XLIONFOSSA-N 2 0 360.546 3.160 20 0 FGADRP c1cc(C[N@@H+]2CCO[C@@H]3CCC[C@@H]32)ccc1C[NH+]1CCO[C@@H]2CCC[C@H]21 ZINC000514193697 503109687 /nfs/dbraw/zinc/10/96/87/503109687.db2.gz GYIBUZSNDBSMOR-CIAFKFPVSA-N 2 0 356.510 3.193 20 0 FGADRP CCCN(CC[NH+]1CCCCC1)C(=O)NCC1CC[NH+](CCC)CC1 ZINC000490179356 503124179 /nfs/dbraw/zinc/12/41/79/503124179.db2.gz YOGYWUQNTWIWKL-UHFFFAOYSA-N 2 0 352.567 3.016 20 0 FGADRP C[N@H+](Cc1ccccc1CNC(=O)[C@@H]([NH3+])CC(F)F)C1CCCCC1 ZINC000498193948 503127355 /nfs/dbraw/zinc/12/73/55/503127355.db2.gz BZMFXMSYMWOULJ-KRWDZBQOSA-N 2 0 353.457 3.050 20 0 FGADRP C[C@@H]1C[C@@H](CCNC(=O)[C@H]([NH3+])c2ccccc2)C[N@@H+]1Cc1ccccc1 ZINC000498214143 503132759 /nfs/dbraw/zinc/13/27/59/503132759.db2.gz NVEUBMMRAFAONU-YFVAEKQCSA-N 2 0 351.494 3.103 20 0 FGADRP CC[NH+](CC)Cc1ccc(CNC(=O)N2C[C@@H](C)[N@H+](CC)C[C@H]2C)cc1 ZINC000498250033 503142215 /nfs/dbraw/zinc/14/22/15/503142215.db2.gz HAEBJCZSHOFTNR-QZTJIDSGSA-N 2 0 360.546 3.153 20 0 FGADRP C[C@H](CCc1c(F)cccc1F)[NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000510696192 503174615 /nfs/dbraw/zinc/17/46/15/503174615.db2.gz QKUXRMXEDUHENC-JSNMRZPZSA-N 2 0 352.469 3.253 20 0 FGADRP c1nc([C@@H]2CCC[N@@H+](Cc3ccc4c(c3)OCCO4)C2)n2c1CCCC2 ZINC000502344485 503183888 /nfs/dbraw/zinc/18/38/88/503183888.db2.gz IGOOAYMUHXBKQP-QGZVFWFLSA-N 2 0 353.466 3.370 20 0 FGADRP C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000514783827 503192187 /nfs/dbraw/zinc/19/21/87/503192187.db2.gz DTNBVGCOWLJXEL-XLIONFOSSA-N 2 0 358.530 3.084 20 0 FGADRP CC1CC[NH+](CCNC(=O)N2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)CC1 ZINC000506929528 503195831 /nfs/dbraw/zinc/19/58/31/503195831.db2.gz GCZAMODEXHFBLJ-VQTJNVASSA-N 2 0 364.578 3.014 20 0 FGADRP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1cnn(C2CCCC2)c1 ZINC000502473639 503205393 /nfs/dbraw/zinc/20/53/93/503205393.db2.gz DBSZIHIBZMFTQV-VGSWGCGISA-N 2 0 368.525 3.416 20 0 FGADRP CC[NH+](CC)CCNC(=O)c1cccc(C[N@H+](C)Cc2ccccc2)c1 ZINC000511032931 503239270 /nfs/dbraw/zinc/23/92/70/503239270.db2.gz UDZUZLXEDCFONC-UHFFFAOYSA-N 2 0 353.510 3.390 20 0 FGADRP CC(C)[N@@H+]1CCCN(C(=O)N[C@H](C)[C@@H]2CC[NH+](Cc3ccccc3)C2)CC1 ZINC000498709398 503244078 /nfs/dbraw/zinc/24/40/78/503244078.db2.gz IVAQWWJRIWVRJL-TZIWHRDSSA-N 2 0 372.557 3.023 20 0 FGADRP Cc1ccc(C)c(OCCC[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)c1 ZINC000491021625 503261949 /nfs/dbraw/zinc/26/19/49/503261949.db2.gz QHSNKGZXJKKFHN-SFTDATJTSA-N 2 0 359.558 3.030 20 0 FGADRP CC1CC[NH+](Cc2cccc(CNC(=O)N3CC[N@H+](C)CC[C@H]3C)c2)CC1 ZINC000502763302 503266220 /nfs/dbraw/zinc/26/62/20/503266220.db2.gz OEZZHTAGTKSEOR-LJQANCHMSA-N 2 0 372.557 3.154 20 0 FGADRP CC[N@H+](CCNC(=O)NCC1([NH2+][C@H](C)c2ccccc2)CCCC1)C1CC1 ZINC000502792689 503272678 /nfs/dbraw/zinc/27/26/78/503272678.db2.gz DSGCUODQIAOVHX-GOSISDBHSA-N 2 0 372.557 3.434 20 0 FGADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)NC[C@H](c1ccco1)[NH+](CC)CC ZINC000502824599 503281599 /nfs/dbraw/zinc/28/15/99/503281599.db2.gz JGMRZXLJEOJDDO-ZWKOTPCHSA-N 2 0 364.534 3.226 20 0 FGADRP CC[N@@H+]1CCC[C@H](CNC(=O)NC[C@H](c2ccc(C)cc2)[NH+]2CCCC2)C1 ZINC000507393530 503292467 /nfs/dbraw/zinc/29/24/67/503292467.db2.gz XUMWZJWITGVEQF-TZIWHRDSSA-N 2 0 372.557 3.163 20 0 FGADRP C[C@H]([NH2+]CCCOC1CC[NH+](Cc2ccccc2)CC1)[C@H]1CCCOC1 ZINC000507462973 503303332 /nfs/dbraw/zinc/30/33/32/503303332.db2.gz QVUMATYTWDCQBK-FPOVZHCZSA-N 2 0 360.542 3.462 20 0 FGADRP OC[C@H](N[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)c1ccc(F)cc1 ZINC000507488879 503307277 /nfs/dbraw/zinc/30/72/77/503307277.db2.gz VUAUJSGNJPVMKS-PDGJWGCVSA-N 2 0 354.469 3.359 20 0 FGADRP C[C@@H](NC(=O)C[NH+]1CCC(CC[NH3+])CC1)c1ccc(Cl)cc1Cl ZINC000515306156 503311170 /nfs/dbraw/zinc/31/11/70/503311170.db2.gz WXCUSGICNMNBLV-GFCCVEGCSA-N 2 0 358.313 3.231 20 0 FGADRP C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N2CC[NH+](C)CC[C@@H]2C)C1 ZINC000502941976 503311928 /nfs/dbraw/zinc/31/19/28/503311928.db2.gz SLOSNYVGASIVLN-MOPGFXCFSA-N 2 0 372.557 3.154 20 0 FGADRP CC[NH+]1CCN(c2ccc(C[NH2+]C[C@H]3C[C@@H]3c3ccccc3)cn2)CC1 ZINC000502999661 503321347 /nfs/dbraw/zinc/32/13/47/503321347.db2.gz WNMCAGWCEJNGPB-NHCUHLMSSA-N 2 0 350.510 3.117 20 0 FGADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@H]2CC[NH+](Cc3ccccc3)[C@H]2C)C1 ZINC000515395538 503330163 /nfs/dbraw/zinc/33/01/63/503330163.db2.gz OGBDEFFQOWVQQU-JBACZVJFSA-N 2 0 372.557 3.023 20 0 FGADRP CCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C[C@@H]1C ZINC000499108883 503336176 /nfs/dbraw/zinc/33/61/76/503336176.db2.gz CRNINFCCNASHLI-SESVDKBCSA-N 2 0 372.557 3.071 20 0 FGADRP C[C@H](CNC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)[NH+](C)C1CC1 ZINC000511562919 503344021 /nfs/dbraw/zinc/34/40/21/503344021.db2.gz XFXRSVABDWITCM-XLIONFOSSA-N 2 0 372.557 3.069 20 0 FGADRP CCCC[N@H+](C)CCNC(=O)N[C@@H]1CC[NH+](Cc2ccccc2)CC1(C)C ZINC000511581440 503347767 /nfs/dbraw/zinc/34/77/67/503347767.db2.gz PMCMPFGPQAQGAO-HXUWFJFHSA-N 2 0 374.573 3.318 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Cc1ccc2ccccc2c1 ZINC000499511986 503422595 /nfs/dbraw/zinc/42/25/95/503422595.db2.gz CUJWOMNDISUPIC-QFIPXVFZSA-N 2 0 367.537 3.257 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1cnc(-c2ccco2)s1 ZINC000516118036 503449878 /nfs/dbraw/zinc/44/98/78/503449878.db2.gz RERKWPHWWPGAKG-MRXNPFEDSA-N 2 0 362.543 3.251 20 0 FGADRP C[C@H]([NH3+])[C@H](C)C(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000493892020 503454180 /nfs/dbraw/zinc/45/41/80/503454180.db2.gz RQDSPVWJQSWBHV-HPZZRFSDSA-N 2 0 371.447 3.188 20 0 FGADRP C[C@@H]1CCC[C@@](CNC(=O)N(CC[NH+](C)C)Cc2ccccc2)([NH+](C)C)C1 ZINC000516155323 503456711 /nfs/dbraw/zinc/45/67/11/503456711.db2.gz LTNLXZPMEFYQLA-DENIHFKCSA-N 2 0 374.573 3.270 20 0 FGADRP CC(C)[C@H](CNC(=O)N[C@@H](C)[C@@H](c1ccccc1)[NH+](C)C)[NH+]1CCCC1 ZINC000493939659 503462654 /nfs/dbraw/zinc/46/26/54/503462654.db2.gz FSVUYJAQDRWQBR-IHPCNDPISA-N 2 0 360.546 3.097 20 0 FGADRP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000516181240 503464191 /nfs/dbraw/zinc/46/41/91/503464191.db2.gz AVKCBLNCEUOHLO-HKUYNNGSSA-N 2 0 360.546 3.099 20 0 FGADRP COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]CCC[NH+]1CCCC1 ZINC000512137418 503466179 /nfs/dbraw/zinc/46/61/79/503466179.db2.gz HLTCNOPGRZOGHE-AWEZNQCLSA-N 2 0 353.894 3.141 20 0 FGADRP COCCN1CCC[C@H]1C[NH2+][C@@H]1CCc2cc(Br)cc(C)c21 ZINC000493966414 503467269 /nfs/dbraw/zinc/46/72/69/503467269.db2.gz AQMKHUFICUTUBH-DLBZAZTESA-N 2 0 367.331 3.445 20 0 FGADRP CC(C)[C@H]1CCCC[C@H]1NC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000503745702 503467659 /nfs/dbraw/zinc/46/76/59/503467659.db2.gz HNOQVGWGCOAXEJ-RTBURBONSA-N 2 0 354.583 3.116 20 0 FGADRP CCC[N@H+](CC)Cc1ccc(C(=O)N2CCN(c3ccccn3)CC2)cc1 ZINC000508474590 503501054 /nfs/dbraw/zinc/50/10/54/503501054.db2.gz BEHWJZGNAJCMHH-UHFFFAOYSA-N 2 0 366.509 3.276 20 0 FGADRP CCOc1cc(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)ccc1OC ZINC000512455166 503557422 /nfs/dbraw/zinc/55/74/22/503557422.db2.gz AVQBCXSUDVVJHI-UHFFFAOYSA-N 2 0 362.514 3.028 20 0 FGADRP Cc1ccccc1[C@@H]([C@H](C)NC(=O)N(CC[NH+](C)C)CC(C)C)[NH+](C)C ZINC000508852094 503578136 /nfs/dbraw/zinc/57/81/36/503578136.db2.gz ZTPQZMNZBFXAIV-AZUAARDMSA-N 2 0 362.562 3.215 20 0 FGADRP C[N@H+](C[C@@H](O)COc1c(Cl)cccc1Cl)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000512581456 503589002 /nfs/dbraw/zinc/58/90/02/503589002.db2.gz HRYCKXRAGKEBHY-IZGVIRRGSA-N 2 0 373.324 3.290 20 0 FGADRP Cc1ccccc1[C@H]([C@H](C)NC(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21)[NH+](C)C ZINC000508902337 503595297 /nfs/dbraw/zinc/59/52/97/503595297.db2.gz WFXJRBMWYWGSDS-QIJZPMMNSA-N 2 0 372.557 3.112 20 0 FGADRP CCN(CCC[NH+]1CCCC1)C(=O)N[C@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC000508905452 503596567 /nfs/dbraw/zinc/59/65/67/503596567.db2.gz KXSAPUOXNAFUGD-UYAOXDASSA-N 2 0 360.546 3.195 20 0 FGADRP Cc1ccccc1[C@H]([C@H](C)NC(=O)N1CC[C@H](C[NH+]2CCCC2)C1)[NH+](C)C ZINC000508909733 503597604 /nfs/dbraw/zinc/59/76/04/503597604.db2.gz XNQLXKMFSQFYGW-ZVDOUQERSA-N 2 0 372.557 3.114 20 0 FGADRP OC[C@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+][C@H]1CCc2ccccc2OC1 ZINC000494745246 503603025 /nfs/dbraw/zinc/60/30/25/503603025.db2.gz KQLGBZXHYUURLB-FCHUYYIVSA-N 2 0 366.505 3.127 20 0 FGADRP Fc1cccnc1OCC[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000512667857 503607754 /nfs/dbraw/zinc/60/77/54/503607754.db2.gz RJCMBVPKVKZKLG-SFHLNBCPSA-N 2 0 369.484 3.490 20 0 FGADRP CCc1ccc([C@@H](CNC(=O)N2CCC[C@H](C[NH3+])C2)[NH+](CC)CC)cc1 ZINC000516916967 503618069 /nfs/dbraw/zinc/61/80/69/503618069.db2.gz PZWOLSGUJJFMEL-UYAOXDASSA-N 2 0 360.546 3.012 20 0 FGADRP C[NH+](C)CC1(C[NH2+]C[C@@H](O)CO[C@H]2CCCc3ccccc32)CCCC1 ZINC000517130091 503651709 /nfs/dbraw/zinc/65/17/09/503651709.db2.gz NCTSECKYFAWFLS-CTNGQTDRSA-N 2 0 360.542 3.153 20 0 FGADRP COCC[C@H]([NH2+]CCCC[NH+]1C[C@H](C)O[C@@H](C)C1)c1ccc(F)cc1 ZINC000540169609 503696101 /nfs/dbraw/zinc/69/61/01/503696101.db2.gz FLBIOZKHQSXDDX-ZWOKBUDYSA-N 2 0 352.494 3.382 20 0 FGADRP C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)c1cccc(C[NH+](C)Cc2ccccc2)c1 ZINC000543294158 503713622 /nfs/dbraw/zinc/71/36/22/503713622.db2.gz JZPKMNJZESFQAW-RTBURBONSA-N 2 0 365.521 3.483 20 0 FGADRP CC[N@H+](CCC1CCN(C(=O)N[C@H]2CC[NH+](C3CC3)C2)CC1)CC(C)C ZINC000540267173 503727641 /nfs/dbraw/zinc/72/76/41/503727641.db2.gz SDZYLOZMKOHATD-IBGZPJMESA-N 2 0 364.578 3.013 20 0 FGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccccc2-n2cccn2)[C@@H](C)C1 ZINC000536827512 503733858 /nfs/dbraw/zinc/73/38/58/503733858.db2.gz PKAMZAHIRJPZKK-AZUAARDMSA-N 2 0 356.514 3.099 20 0 FGADRP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000517420383 503741557 /nfs/dbraw/zinc/74/15/57/503741557.db2.gz LWBBNWFOGZHWPM-RTBURBONSA-N 2 0 372.557 3.345 20 0 FGADRP NC(=O)[C@H]1CCC[N@H+](Cc2cccc(C[NH2+]C/C=C\c3ccccc3)c2)C1 ZINC000517453163 503749872 /nfs/dbraw/zinc/74/98/72/503749872.db2.gz YIKOSLRTRRDWAN-CYIGTMLWSA-N 2 0 363.505 3.187 20 0 FGADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+](C)[C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000543395288 503751352 /nfs/dbraw/zinc/75/13/52/503751352.db2.gz XUYCXBDCMOWRQY-KRWDZBQOSA-N 2 0 373.464 3.349 20 0 FGADRP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000517491453 503755800 /nfs/dbraw/zinc/75/58/00/503755800.db2.gz KZSJSRYBBHTCHW-ZWKOTPCHSA-N 2 0 366.575 3.305 20 0 FGADRP COc1ccc2c(c1)[C@@H]([NH2+]CCCC[NH+]1CCN(C)CC1)CCCS2 ZINC000527348795 503773279 /nfs/dbraw/zinc/77/32/79/503773279.db2.gz XMXWXGJOFYOJGZ-IBGZPJMESA-N 2 0 363.571 3.239 20 0 FGADRP CC(C)CO[C@@H]1C[C@H]([NH2+][C@H](CN2CC[NH+](C)CC2)c2ccccc2)C1(C)C ZINC000540595605 503827518 /nfs/dbraw/zinc/82/75/18/503827518.db2.gz CJKJHSVKKAWABE-BHIFYINESA-N 2 0 373.585 3.404 20 0 FGADRP c1ccc(-c2cncc(NCCC[NH+]3CCN(c4cc[nH+]cc4)CC3)n2)cc1 ZINC000540691693 503857980 /nfs/dbraw/zinc/85/79/80/503857980.db2.gz JNDZFAMQMBTELI-UHFFFAOYSA-N 2 0 374.492 3.163 20 0 FGADRP C[C@H](CNC(=O)NCc1cccc(C[NH+]2CCCCCC2)c1)[N@H+](C)C1CC1 ZINC000517910711 503864353 /nfs/dbraw/zinc/86/43/53/503864353.db2.gz LARRITPKNRBSMR-GOSISDBHSA-N 2 0 372.557 3.345 20 0 FGADRP C[NH+](C)[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)c1ccc(Cl)cc1 ZINC000533510641 503870156 /nfs/dbraw/zinc/87/01/56/503870156.db2.gz NKCZTQPJWUQSCN-RBUKOAKNSA-N 2 0 363.933 3.466 20 0 FGADRP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(I)cc2)[C@@H](C)C1 ZINC000533532608 503877834 /nfs/dbraw/zinc/87/78/34/503877834.db2.gz OLOLUMAXBQMGBN-BBRMVZONSA-N 2 0 372.294 3.453 20 0 FGADRP C[C@H](c1ncc(-c2ccccc2)o1)[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530240011 503889242 /nfs/dbraw/zinc/88/92/42/503889242.db2.gz JKTKTWPMJBHRJF-VQIMIIECSA-N 2 0 355.482 3.493 20 0 FGADRP C[C@@H](c1ncc(-c2ccccc2)o1)[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530240010 503889794 /nfs/dbraw/zinc/88/97/94/503889794.db2.gz JKTKTWPMJBHRJF-QFBILLFUSA-N 2 0 355.482 3.493 20 0 FGADRP Cc1cc(C)c(NC(=O)[C@@H](C)[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)c(C)c1 ZINC000530243053 503891234 /nfs/dbraw/zinc/89/12/34/503891234.db2.gz VCOVCZVWZJYGCN-QUCCMNQESA-N 2 0 373.541 3.029 20 0 FGADRP FC(F)(F)Oc1ccc(C[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)cc1 ZINC000530242429 503891289 /nfs/dbraw/zinc/89/12/89/503891289.db2.gz SCTPATDYLPCRHV-KRWDZBQOSA-N 2 0 358.404 3.176 20 0 FGADRP COc1cc(C)c(CN2CCN(c3cc(C)nc(C(C)C)n3)CC2)c(C)n1 ZINC000543787548 503892773 /nfs/dbraw/zinc/89/27/73/503892773.db2.gz LHCQQEWCYFLXDI-UHFFFAOYSA-N 2 0 369.513 3.251 20 0 FGADRP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+]C[C@H](O)COc2ccc(Cl)cc2)C1 ZINC000518361712 503963239 /nfs/dbraw/zinc/96/32/39/503963239.db2.gz DQNWFWOEXQLFQC-WMZOPIPTSA-N 2 0 354.922 3.037 20 0 FGADRP CCOc1cccc(C[N@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)n1 ZINC000537621435 503980102 /nfs/dbraw/zinc/98/01/02/503980102.db2.gz PXPVHWDFKQTILP-UHFFFAOYSA-N 2 0 374.573 3.108 20 0 FGADRP O[C@@H]1CCC[C@@H]1[NH+]1CCC([NH2+][C@H]2CCc3cc(F)c(Cl)cc32)CC1 ZINC000527874792 503981955 /nfs/dbraw/zinc/98/19/55/503981955.db2.gz YOEJNKULPIBWSY-GBESFXJTSA-N 2 0 352.881 3.434 20 0 FGADRP CC(C)[C@H](C(=O)Nc1cccc(OCCC[NH+](C)C)c1)[NH+]1CCCCC1 ZINC000518435122 503983270 /nfs/dbraw/zinc/98/32/70/503983270.db2.gz BJJTYYADONCKFC-HXUWFJFHSA-N 2 0 361.530 3.466 20 0 FGADRP CC[C@@H]1C[C@H](C)CC[C@@H]1[NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000537646713 503990697 /nfs/dbraw/zinc/99/06/97/503990697.db2.gz IDRNPWIRDHEKFX-QRQLOZEOSA-N 2 0 351.579 3.418 20 0 FGADRP [NH3+]C[C@H](NC(=O)NC1CC([NH+]2CCCCC2)C1)c1ccc2ccccc2c1 ZINC000518499016 504002031 /nfs/dbraw/zinc/00/20/31/504002031.db2.gz BBAXEQBKVLFENL-CBNMVNINSA-N 2 0 366.509 3.156 20 0 FGADRP CC(C)CN(CC[NH+](C)C)C(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000530602431 504023375 /nfs/dbraw/zinc/02/33/75/504023375.db2.gz VBVGDSNJBDTSIQ-SFHVURJKSA-N 2 0 368.953 3.172 20 0 FGADRP Cc1ccc([C@@H](CNC(=O)NCC[N@H+]2[C@H](C)CCC[C@@H]2C)[NH+](C)C)cc1 ZINC000518594345 504023846 /nfs/dbraw/zinc/02/38/46/504023846.db2.gz YQGPWHUJPVVLLC-WSTZPKSXSA-N 2 0 360.546 3.160 20 0 FGADRP C[C@@H](CCNC(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1)[NH+]1CCCCC1 ZINC000544289593 504075181 /nfs/dbraw/zinc/07/51/81/504075181.db2.gz SIUFGXAARWIIKF-PZJWPPBQSA-N 2 0 372.557 3.215 20 0 FGADRP CC[NH+]1CCC(CCNC(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2)CC1 ZINC000530822582 504095774 /nfs/dbraw/zinc/09/57/74/504095774.db2.gz YOAWIGHLSIXIPD-OAQYLSRUSA-N 2 0 357.542 3.279 20 0 FGADRP CC[NH+]1CCC(CNC(=O)[C@H]2CCCN2Cc2ccc(Cl)cc2)CC1 ZINC000528165299 504100405 /nfs/dbraw/zinc/10/04/05/504100405.db2.gz BXRIBIUSKOABEZ-LJQANCHMSA-N 2 0 363.933 3.153 20 0 FGADRP C[NH+](C)[C@@H](CNC(=O)NCC1([NH+](C)C)CCCC1)c1ccc(Cl)cc1 ZINC000530839093 504101940 /nfs/dbraw/zinc/10/19/40/504101940.db2.gz FYNMXSIPWYNZGY-KRWDZBQOSA-N 2 0 366.937 3.116 20 0 FGADRP CCC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)NCC1CC[NH+](CC)CC1 ZINC000528168499 504102977 /nfs/dbraw/zinc/10/29/77/504102977.db2.gz MVHJNYFZCNEWOH-FGZHOGPDSA-N 2 0 371.569 3.383 20 0 FGADRP C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000518963884 504103760 /nfs/dbraw/zinc/10/37/60/504103760.db2.gz RHFILESPBONTDM-FQEVSTJZSA-N 2 0 357.473 3.196 20 0 FGADRP CC[C@@H]([NH2+]CCCC[NH+]1CCN(c2ccccc2)CC1)C1CCOCC1 ZINC000537992137 504104959 /nfs/dbraw/zinc/10/49/59/504104959.db2.gz SHHIAGGVLYXTGA-JOCHJYFZSA-N 2 0 359.558 3.384 20 0 FGADRP C[C@@H]1C[C@H](CC[NH2+]Cc2c(Cl)cccc2N2CC[NH+](C)CC2)CCO1 ZINC000541369666 504105901 /nfs/dbraw/zinc/10/59/01/504105901.db2.gz NIVVMXHTYBDUID-IAGOWNOFSA-N 2 0 365.949 3.387 20 0 FGADRP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(C[NH2+][C@@H]3CCC[C@H]3C3CC3)c2)C1 ZINC000538100155 504132786 /nfs/dbraw/zinc/13/27/86/504132786.db2.gz BMRFROGOWACMHT-QHAWAJNXSA-N 2 0 355.526 3.052 20 0 FGADRP Cc1n[nH]c(C)c1C[NH2+]CCc1ccc(OCC[NH+]2C[C@H](C)[C@@H](C)C2)cc1 ZINC000538124268 504137418 /nfs/dbraw/zinc/13/74/18/504137418.db2.gz HNOSSYVJVXGWBI-IRXDYDNUSA-N 2 0 370.541 3.325 20 0 FGADRP Cc1nc(C)c(C[N@@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)s1 ZINC000530949587 504139995 /nfs/dbraw/zinc/13/99/95/504139995.db2.gz XELYZECEKMRHQG-UHFFFAOYSA-N 3 0 364.603 3.388 20 0 FGADRP CC(=O)Nc1ccccc1C[NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000519111745 504143147 /nfs/dbraw/zinc/14/31/47/504143147.db2.gz ZUEZNHHHUHFLCC-AZUAARDMSA-N 2 0 355.457 3.267 20 0 FGADRP CC[NH+](CC)CCOC1CC[NH+]([C@@H](C)c2cc(C)c(C(=O)OC)o2)CC1 ZINC000538148163 504146724 /nfs/dbraw/zinc/14/67/24/504146724.db2.gz VDJYOMDZUDVBPR-INIZCTEOSA-N 2 0 366.502 3.258 20 0 FGADRP Cc1ccc([C@H](CNC(=O)NCC[C@@H](C)[NH+]2CCCCC2)[NH+](C)C)cc1 ZINC000541509908 504155726 /nfs/dbraw/zinc/15/57/26/504155726.db2.gz QLFUSQIZPZQTQD-QUCCMNQESA-N 2 0 360.546 3.161 20 0 FGADRP CN(CCC(=O)NC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1)c1cc[nH+]cc1 ZINC000547658484 504171708 /nfs/dbraw/zinc/17/17/08/504171708.db2.gz XRJPZHZREFECEJ-JOCHJYFZSA-N 2 0 366.509 3.079 20 0 FGADRP CCC[C@H]([NH2+]CCN1CC[NH+](Cc2ccccc2)CC1)c1cccnc1 ZINC000544579349 504180711 /nfs/dbraw/zinc/18/07/11/504180711.db2.gz RLLHGPJMXRTZBC-QFIPXVFZSA-N 2 0 352.526 3.330 20 0 FGADRP CC[NH+]1CCC(CC[NH2+]Cc2ccc(OC)c3oc(C(=O)OC)cc32)CC1 ZINC000531142144 504203851 /nfs/dbraw/zinc/20/38/51/504203851.db2.gz QZAJKROMPICDHG-UHFFFAOYSA-N 2 0 374.481 3.440 20 0 FGADRP C[C@@H]1C[NH+](CCC2CC[NH+](Cc3cc(CO)ccc3F)CC2)C[C@@H](C)O1 ZINC000528395364 504204843 /nfs/dbraw/zinc/20/48/43/504204843.db2.gz KIEWZLVVXPYADV-IAGOWNOFSA-N 2 0 364.505 3.029 20 0 FGADRP C[C@H]([NH2+][C@@H]1CCCC[C@@H]1N1CCOCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000547827581 504238590 /nfs/dbraw/zinc/23/85/90/504238590.db2.gz OTVSKPOCKSSOJG-SNJCGAMXSA-N 2 0 371.569 3.130 20 0 FGADRP C[C@@H]1C[NH+](CCCC[NH2+][C@@H](c2ccccc2)c2cncnc2)C[C@@H](C)O1 ZINC000541744143 504240043 /nfs/dbraw/zinc/24/00/43/504240043.db2.gz XFWLPCUSGNJDOG-OPYAIIAOSA-N 2 0 354.498 3.045 20 0 FGADRP CCC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N1CCC[NH+](CC)CC1 ZINC000528492164 504246492 /nfs/dbraw/zinc/24/64/92/504246492.db2.gz KHLUBFQZQDUACF-NHCUHLMSSA-N 2 0 357.542 3.089 20 0 FGADRP CC(C)(C)[N@@H+]1CCCN(C(=O)[C@H]2CCCC[NH+]2Cc2ccccc2)CC1 ZINC000531290713 504254369 /nfs/dbraw/zinc/25/43/69/504254369.db2.gz UMJUFZTUKNRIIW-HXUWFJFHSA-N 2 0 357.542 3.374 20 0 FGADRP C[C@H]([NH2+][C@@H](CO)Cc1ccc(F)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000519568265 504256645 /nfs/dbraw/zinc/25/66/45/504256645.db2.gz QMCHHHZWRMPVEG-UCNVEGJOSA-N 2 0 356.485 3.229 20 0 FGADRP CC(C)C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000528570862 504276266 /nfs/dbraw/zinc/27/62/66/504276266.db2.gz QZDROTKLEODILE-YPAWHYETSA-N 2 0 371.569 3.191 20 0 FGADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H](O)CO[C@@H]2CCCc3ccccc32)C[C@@H]1C ZINC000531381925 504287051 /nfs/dbraw/zinc/28/70/51/504287051.db2.gz FPNFHVJDHDKZKQ-WCCBULMPSA-N 2 0 360.542 3.246 20 0 FGADRP C[C@@H]([NH2+]Cc1ccc(C[NH+](C)C)cc1)[C@@H](c1ccccc1)N1CCOCC1 ZINC000535003811 504309404 /nfs/dbraw/zinc/30/94/04/504309404.db2.gz BYYAXBQTFKXRIS-XXBNENTESA-N 2 0 367.537 3.300 20 0 FGADRP CC(C)C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000528659704 504317514 /nfs/dbraw/zinc/31/75/14/504317514.db2.gz YEWDPINSTYNWHY-ZHHKINOHSA-N 2 0 371.569 3.380 20 0 FGADRP CC(C)[C@H]1C[NH2+]CCN1C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000528674807 504325731 /nfs/dbraw/zinc/32/57/31/504325731.db2.gz MHKWHEKZHKFUDC-HXUWFJFHSA-N 2 0 358.530 3.177 20 0 FGADRP C[C@H](C(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000519751861 504328058 /nfs/dbraw/zinc/32/80/58/504328058.db2.gz XMFSRLSNVFXGEE-CEXWTWQISA-N 2 0 357.542 3.371 20 0 FGADRP CC[NH+](CC)CCOC1CC[NH+](Cc2c[nH]nc2-c2ccc(C)o2)CC1 ZINC000538763780 504362456 /nfs/dbraw/zinc/36/24/56/504362456.db2.gz UTMVIPNEALDOBX-UHFFFAOYSA-N 2 0 360.502 3.301 20 0 FGADRP CCc1ccc(NC(=O)N(CC[NH+](C)C)C[C@@H]2CCC[N@H+]2CC)cc1C ZINC000538773394 504364901 /nfs/dbraw/zinc/36/49/01/504364901.db2.gz MSBVVJQCPCJMGM-FQEVSTJZSA-N 2 0 360.546 3.437 20 0 FGADRP CC1=CC[N@H+](CCNC(=O)NC2CC[NH+]([C@@H](C)c3ccccc3)CC2)CC1 ZINC000545158781 504378451 /nfs/dbraw/zinc/37/84/51/504378451.db2.gz MXPCNSXKPPANQM-IBGZPJMESA-N 2 0 370.541 3.163 20 0 FGADRP C[C@H]1CCC[N@H+](CCCCNC(=O)N2CCC[NH+](C(C)(C)C)CC2)C1 ZINC000519923830 504385204 /nfs/dbraw/zinc/38/52/04/504385204.db2.gz QOQVWOBULDLKGL-SFHVURJKSA-N 2 0 352.567 3.014 20 0 FGADRP C[C@@H]([NH2+]CCCN1CCC[N@H+](C)CC1)c1sccc1Br ZINC000531704194 504398138 /nfs/dbraw/zinc/39/81/38/504398138.db2.gz UQGNZWTWXOOUCS-CYBMUJFWSA-N 2 0 360.365 3.189 20 0 FGADRP CC[NH+]1CCC(CNC(=O)N2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)CC1 ZINC000520272331 504451502 /nfs/dbraw/zinc/45/15/02/504451502.db2.gz YLXYLTZBVPBDMT-UYAOXDASSA-N 2 0 364.578 3.014 20 0 FGADRP C[C@H]1CN(C)C[C@H]1[NH2+]C1CCN(Cc2cccc(C(F)(F)F)c2)CC1 ZINC000531938349 504480391 /nfs/dbraw/zinc/48/03/91/504480391.db2.gz HFJFKAGRECLOFD-KBXCAEBGSA-N 2 0 355.448 3.210 20 0 FGADRP C[C@H]1C[C@@H]([NH2+]Cc2cc(C(F)(F)F)ccc2N2CC[NH+](C)CC2)CCO1 ZINC000539215432 504499775 /nfs/dbraw/zinc/49/97/75/504499775.db2.gz NIPPAMARKDMOSV-YOEHRIQHSA-N 2 0 371.447 3.114 20 0 FGADRP O=C1CC[C@H]([NH2+]C2CCN(Cc3ccccn3)CC2)c2ccccc2N1 ZINC000542478192 504506748 /nfs/dbraw/zinc/50/67/48/504506748.db2.gz QERMDYMWJJXFKX-FQEVSTJZSA-N 2 0 350.466 3.109 20 0 FGADRP C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+][C@@H]1CN(C2CC2)C[C@H]1C ZINC000532246788 504584586 /nfs/dbraw/zinc/58/45/86/504584586.db2.gz DGPWGGJMOQMVEX-SPYBWZPUSA-N 2 0 363.933 3.149 20 0 FGADRP CCO[C@H]1C[C@@H]([NH2+]Cc2ccccc2CN2CC[NH+](CC)CC2)C12CCC2 ZINC000539500233 504591629 /nfs/dbraw/zinc/59/16/29/504591629.db2.gz VIRXHMHIQJEIFW-YADHBBJMSA-N 2 0 371.569 3.261 20 0 FGADRP CC(C)C[C@H]([NH2+][C@H](C)c1ccc(F)c(Cl)c1)C(=O)NCC[NH+](C)C ZINC000539647548 504638349 /nfs/dbraw/zinc/63/83/49/504638349.db2.gz DAYPYTWSUBZTMN-DYVFJYSZSA-N 2 0 357.901 3.222 20 0 FGADRP CCC[C@H]([NH2+][C@H]1CCC[C@H]([NH3+])C1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000521068381 504641781 /nfs/dbraw/zinc/64/17/81/504641781.db2.gz WUDLPUVWYYLVGB-ZWOKBUDYSA-N 2 0 358.530 3.254 20 0 FGADRP Cc1ccc([C@@H](C)[NH2+][C@@H](Cc2ccccc2)C(=O)NCC[NH+](C)C)cc1C ZINC000539688264 504653728 /nfs/dbraw/zinc/65/37/28/504653728.db2.gz RUFZUZGFRWHQBW-KNQAVFIVSA-N 2 0 367.537 3.243 20 0 FGADRP COc1ccc([C@@H](C)[NH2+][C@H](CN2CC[NH+](C)CC2)c2ccccc2)cc1 ZINC000532497201 504672164 /nfs/dbraw/zinc/67/21/64/504672164.db2.gz JOBRWJCZKAAGNC-XMSQKQJNSA-N 2 0 353.510 3.335 20 0 FGADRP C[NH+](C)CCOC1CC[NH+](CC(C)(C)C[N@H+](C)Cc2ccccc2)CC1 ZINC000539831580 504707811 /nfs/dbraw/zinc/70/78/11/504707811.db2.gz GDHUDEJJDXYJDS-UHFFFAOYSA-N 3 0 361.574 3.187 20 0 FGADRP C[C@@H]1[C@@H]([NH2+]Cc2ccc(C(=O)NCC[NH+](C)C)cc2)C[C@@H]1c1ccccc1 ZINC000543097619 504724085 /nfs/dbraw/zinc/72/40/85/504724085.db2.gz RRDWDSMADHDEPN-HSQYWUDLSA-N 2 0 365.521 3.260 20 0 FGADRP O[C@@]1(C[NH2+]Cc2cccc(-c3ccccn3)c2)CCN(Cc2ccccc2)C1 ZINC000532672339 504731478 /nfs/dbraw/zinc/73/14/78/504731478.db2.gz JGQPDUAZTFARPV-XMMPIXPASA-N 2 0 373.500 3.475 20 0 FGADRP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2CC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000539894560 504733244 /nfs/dbraw/zinc/73/32/44/504733244.db2.gz AMZVEWGYCBOSAZ-BHIFYINESA-N 2 0 373.585 3.328 20 0 FGADRP COC(=O)c1cc(C[NH2+]CC[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)cn1C ZINC000521511951 504750298 /nfs/dbraw/zinc/75/02/98/504750298.db2.gz HFKUTABJUVVADF-MJGOQNOKSA-N 2 0 369.509 3.202 20 0 FGADRP Cc1nc(-c2cccc(NC(=O)CN3C[C@H](C[NH3+])[C@@H](C)C[C@@H]3C)c2)cs1 ZINC000565045061 504779921 /nfs/dbraw/zinc/77/99/21/504779921.db2.gz WLWLNWQGRBZLJM-ZQIUZPCESA-N 2 0 372.538 3.362 20 0 FGADRP COc1ccc([C@H](C[NH3+])CN(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000565047125 504780589 /nfs/dbraw/zinc/78/05/89/504780589.db2.gz NMXAFCAVNAOTLH-IFMALSPDSA-N 2 0 367.537 3.191 20 0 FGADRP C[C@@H]([NH2+][C@H](CO)Cc1ccc(F)cc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000552922995 504789063 /nfs/dbraw/zinc/78/90/63/504789063.db2.gz DDMOVWBIDAJNOH-UZLBHIALSA-N 2 0 360.473 3.020 20 0 FGADRP COC1CC[NH+](C(C)(C)CN[C@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)CC1 ZINC000556076509 504791335 /nfs/dbraw/zinc/79/13/35/504791335.db2.gz OJKPTUJSGQTLDG-PZJWPPBQSA-N 2 0 359.558 3.301 20 0 FGADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C[C@@H](c1ncc[nH]1)c1ccccc1 ZINC000553042356 504811674 /nfs/dbraw/zinc/81/16/74/504811674.db2.gz ZLVGOESKSAQTFV-ZIFCJYIRSA-N 2 0 354.498 3.168 20 0 FGADRP C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC000559517395 504879370 /nfs/dbraw/zinc/87/93/70/504879370.db2.gz GXIDTMUYBSAQTD-KRWDZBQOSA-N 2 0 362.477 3.496 20 0 FGADRP C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000562624040 504884195 /nfs/dbraw/zinc/88/41/95/504884195.db2.gz VSBGDBHUQBPACX-FQEVSTJZSA-N 2 0 372.557 3.202 20 0 FGADRP Cc1ncc2n1C[C@H](C(=O)N1CCC(CC[N@H+]3CCCC[C@H]3C)CC1)CC2 ZINC000553513801 504937175 /nfs/dbraw/zinc/93/71/75/504937175.db2.gz OIJGXCMVNRZBRE-YLJYHZDGSA-N 2 0 372.557 3.257 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)c1ccc(C[NH+](C)C)nc1)c1ccsc1 ZINC000550139590 504975274 /nfs/dbraw/zinc/97/52/74/504975274.db2.gz GKRAPRFAGWRBOF-GOSISDBHSA-N 2 0 360.527 3.018 20 0 FGADRP CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)[C@H](C)[NH+]2[C@@H](C)CC[C@@H]2C)c1 ZINC000565796778 504989585 /nfs/dbraw/zinc/98/95/85/504989585.db2.gz ZYQSUJBATBAPBQ-ULQDDVLXSA-N 2 0 374.529 3.167 20 0 FGADRP CCCC[N@H+](C)C[C@@H](C)NC(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000565865603 505009291 /nfs/dbraw/zinc/00/92/91/505009291.db2.gz CVSHWSLNFHKOQR-IAGOWNOFSA-N 2 0 366.575 3.305 20 0 FGADRP C[C@H](OC[C@@H](O)C[NH2+]Cc1ccc2c[nH+]cn2c1)c1ccc(Cl)cc1 ZINC000562999199 505015128 /nfs/dbraw/zinc/01/51/28/505015128.db2.gz ZELXZVZMIZUEPW-LIRRHRJNSA-N 2 0 359.857 3.216 20 0 FGADRP C[NH+](C)[C@H](CNC(=O)Nc1ccc2c(c1)C[NH2+]C2)c1ccc(Cl)cc1 ZINC000565882353 505016047 /nfs/dbraw/zinc/01/60/47/505016047.db2.gz ZGLLSERZLYASIE-GOSISDBHSA-N 2 0 358.873 3.368 20 0 FGADRP CCc1cccc(OC[C@H](O)C[NH2+]Cc2cccc(Cn3ccnc3)c2)c1 ZINC000565887368 505017927 /nfs/dbraw/zinc/01/79/27/505017927.db2.gz MQHVWGKIVRAIMK-OAQYLSRUSA-N 2 0 365.477 3.023 20 0 FGADRP C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)C[C@@H]2CCCC[C@@H]2[NH3+])CC1 ZINC000563047898 505033494 /nfs/dbraw/zinc/03/34/94/505033494.db2.gz JWAFBBCNUJZDDD-SFTDATJTSA-N 2 0 357.542 3.265 20 0 FGADRP COc1cccc(C[C@@H](C)[NH2+]Cc2ccc(OC3CC[NH+](C)CC3)cc2)n1 ZINC000560268830 505034714 /nfs/dbraw/zinc/03/47/14/505034714.db2.gz QCIKQUNHDBBQPB-QGZVFWFLSA-N 2 0 369.509 3.284 20 0 FGADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]C[C@@H]1CSc2ccccc2O1 ZINC000563122425 505053540 /nfs/dbraw/zinc/05/35/40/505053540.db2.gz NLRBOGOANKXHEL-QGZVFWFLSA-N 2 0 352.463 3.219 20 0 FGADRP C[C@H](NC(=O)CC[N@@H+]1CCc2ccccc2C1)[C@H](c1ccccc1)[NH+](C)C ZINC000557072655 505059219 /nfs/dbraw/zinc/05/92/19/505059219.db2.gz WVKFCHPMWUEPKP-FDDCHVKYSA-N 2 0 365.521 3.242 20 0 FGADRP CCCC[N@H+](C)CCNC(=O)N1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000554003991 505064982 /nfs/dbraw/zinc/06/49/82/505064982.db2.gz FFPIRWMATRJGMG-JOCHJYFZSA-N 2 0 372.557 3.026 20 0 FGADRP COC[C@@H]([NH2+]CCCN1CC[N@H+](C)C[C@H]1c1ccccc1)c1ccccc1 ZINC000554050850 505076196 /nfs/dbraw/zinc/07/61/96/505076196.db2.gz VUHFSFATBDERJL-PKTZIBPZSA-N 2 0 367.537 3.343 20 0 FGADRP Cc1c([C@H](C)[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)nnn1-c1ccc(Cl)cc1 ZINC000566092195 505077329 /nfs/dbraw/zinc/07/73/29/505077329.db2.gz OXQBEVDQIFMCPK-DPAVQSFQSA-N 2 0 359.905 3.268 20 0 FGADRP COC[C@@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)c1cccc(Cl)c1F ZINC000554073610 505081570 /nfs/dbraw/zinc/08/15/70/505081570.db2.gz YZBYPYDVHJBZGE-GOSISDBHSA-N 2 0 371.928 3.030 20 0 FGADRP C[N@@H+]1CCC[C@@H](CNC(=O)c2ccc3c[nH+]cn3c2)[C@@H]1c1cccs1 ZINC000550665139 505081947 /nfs/dbraw/zinc/08/19/47/505081947.db2.gz DVPQKVSIINVRHI-KBXCAEBGSA-N 2 0 354.479 3.209 20 0 FGADRP C[NH+](C)[C@H](CNC(=O)C(C)(C)[C@@H]([NH3+])c1ccccc1)Cc1ccccc1 ZINC000566147327 505097077 /nfs/dbraw/zinc/09/70/77/505097077.db2.gz PGSGRDQDSPNPIW-PMACEKPBSA-N 2 0 353.510 3.002 20 0 FGADRP C[C@H](C(=O)N1CCN(c2cc[nH+]c3ccccc32)CC1)[NH+]1CCCCCC1 ZINC000560489685 505102001 /nfs/dbraw/zinc/10/20/01/505102001.db2.gz GUPFCCCAKUQHRP-GOSISDBHSA-N 2 0 366.509 3.148 20 0 FGADRP CC[NH+](CC)CC(=O)Nc1cccc(N[C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)c1 ZINC000554145696 505104906 /nfs/dbraw/zinc/10/49/06/505104906.db2.gz VNMRRMUNMHTKMP-ZCNNSNEGSA-N 2 0 358.530 3.252 20 0 FGADRP NC(=O)C1(C[NH2+][C@@H]2CCCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CCCC1 ZINC000560524500 505114817 /nfs/dbraw/zinc/11/48/17/505114817.db2.gz DFLANTLPYIIMKQ-NJDAHSKKSA-N 2 0 369.553 3.313 20 0 FGADRP CCc1ccc([C@H](CNC(=O)N2C[C@H]([NH+]3CCCC3)C[C@@H]2C)[NH+](C)C)cc1 ZINC000554217070 505117990 /nfs/dbraw/zinc/11/79/90/505117990.db2.gz UYYDYUNQVKVFOO-WMQCIHAUSA-N 2 0 372.557 3.120 20 0 FGADRP C[C@H]([NH2+]Cc1ccc(C[S@@](C)=O)cc1)c1cccc(OCC[NH+](C)C)c1 ZINC000560556400 505125710 /nfs/dbraw/zinc/12/57/10/505125710.db2.gz BNBFIIOKPCBXMM-MRDQGFSESA-N 2 0 374.550 3.356 20 0 FGADRP [NH3+]Cc1cn([C@H]2CCC[N@H+](Cc3ccc(-c4ccccc4F)s3)C2)nn1 ZINC000563460602 505146256 /nfs/dbraw/zinc/14/62/56/505146256.db2.gz MEKNOJATOKCOEX-HNNXBMFYSA-N 2 0 371.485 3.442 20 0 FGADRP [NH3+]Cc1cn([C@@H]2CCC[N@H+](Cc3ccc(-c4ccccc4F)s3)C2)nn1 ZINC000563460603 505146523 /nfs/dbraw/zinc/14/65/23/505146523.db2.gz MEKNOJATOKCOEX-OAHLLOKOSA-N 2 0 371.485 3.442 20 0 FGADRP Cc1ccccc1[C@H](CC(C)C)[NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000557484131 505147253 /nfs/dbraw/zinc/14/72/53/505147253.db2.gz ALMCKIQHINSDBO-NRFANRHFSA-N 2 0 357.542 3.415 20 0 FGADRP O=C(NCc1ccc(C[NH+]2CCCCCC2)cc1)N1CC[NH+]2CCC1CC2 ZINC000551218669 505179966 /nfs/dbraw/zinc/17/99/66/505179966.db2.gz WNXTYWNCKTUEDZ-UHFFFAOYSA-N 2 0 370.541 3.052 20 0 FGADRP C[C@H]([NH2+][C@@H]1CCN(CC(F)(F)F)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000554549628 505204015 /nfs/dbraw/zinc/20/40/15/505204015.db2.gz FACCCIHTLNBWAQ-RYQLBKOJSA-N 2 0 355.448 3.123 20 0 FGADRP Cc1ccc(OC[C@@H](O)C[NH2+]CC2CC[NH+](Cc3cccs3)CC2)cc1 ZINC000566555961 505205212 /nfs/dbraw/zinc/20/52/12/505205212.db2.gz CDHNUCBMBCJNMQ-IBGZPJMESA-N 2 0 374.550 3.298 20 0 FGADRP O[C@@H]1CCC[C@@H]1[C@@H]1CCC[N@@H+]1CCCC[NH+]1CCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000563680616 505209596 /nfs/dbraw/zinc/20/95/96/505209596.db2.gz AQIJVTXSSOIFHL-VFPNFYTQSA-N 2 0 364.574 3.017 20 0 FGADRP CC(C)C(C[NH+]1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1)C(C)C ZINC000551551508 505251001 /nfs/dbraw/zinc/25/10/01/505251001.db2.gz CAHYTBXMLBFQMG-UHFFFAOYSA-N 2 0 353.595 3.331 20 0 FGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@H]2CCCc3c4ccccc4[nH]c32)CC1 ZINC000554735214 505252240 /nfs/dbraw/zinc/25/22/40/505252240.db2.gz QFLHKLQSWQQQLG-UWJYYQICSA-N 2 0 354.542 3.409 20 0 FGADRP C[C@@H](NC(=O)NC[C@H](c1ccccc1)[NH+]1CCC(C)CC1)[C@H]1CCC[NH2+]C1 ZINC000563874862 505264184 /nfs/dbraw/zinc/26/41/84/505264184.db2.gz QFGWPPVFZDCDLV-HLAWJBBLSA-N 2 0 372.557 3.147 20 0 FGADRP C[NH+](C)CCCCC(=O)N[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000563951213 505285873 /nfs/dbraw/zinc/28/58/73/505285873.db2.gz RNJQUJOIZNTJHC-KRWDZBQOSA-N 2 0 371.447 3.128 20 0 FGADRP CC1(C)C[NH2+][C@H]1C1CCN(C(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000566855174 505292588 /nfs/dbraw/zinc/29/25/88/505292588.db2.gz VKPRDYRVYLMEMI-SFTDATJTSA-N 2 0 369.553 3.135 20 0 FGADRP C[NH+](Cc1cncc(C[N@H+](C)C[C@@H]2CCCCO2)c1)C[C@@H]1CCCCO1 ZINC000566896150 505304152 /nfs/dbraw/zinc/30/41/52/505304152.db2.gz ZTYJYGRLXULPGA-SFTDATJTSA-N 2 0 361.530 3.083 20 0 FGADRP C[NH+](C)C[C@@H](N[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1ccc(F)cc1 ZINC000558252369 505344890 /nfs/dbraw/zinc/34/48/90/505344890.db2.gz LCGVDDOCYLVFNR-FGZHOGPDSA-N 2 0 355.501 3.335 20 0 FGADRP [NH3+][C@H]1CCO[C@H](C2CC[NH+](Cc3coc(-c4cccc(F)c4)n3)CC2)C1 ZINC000564193195 505349317 /nfs/dbraw/zinc/34/93/17/505349317.db2.gz KGQABWDKKDJFII-HKUYNNGSSA-N 2 0 359.445 3.199 20 0 FGADRP CCOC1CC(O)(C[NH2+][C@@H]2CCCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000552056636 505383841 /nfs/dbraw/zinc/38/38/41/505383841.db2.gz MHSPAPPUPFODCL-UDFFUHSHSA-N 2 0 372.553 3.197 20 0 FGADRP CCOC1CC(O)(C[NH2+][C@@H]2CCCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000552056635 505384112 /nfs/dbraw/zinc/38/41/12/505384112.db2.gz MHSPAPPUPFODCL-PZYNUVDYSA-N 2 0 372.553 3.197 20 0 FGADRP C[N@@H+]1CC[C@H]([NH2+]C[C@H](CO)Cc2ccccc2C(F)(F)F)[C@H]2CCC[C@@H]21 ZINC000552063308 505387056 /nfs/dbraw/zinc/38/70/56/505387056.db2.gz VXKOQCNBYYBOAC-JZGRTCEGSA-N 2 0 370.459 3.319 20 0 FGADRP C[C@H](CCNC(=O)N1C[C@@H]([NH+]2CCCC2)C[C@@H]1C)[N@H+](C)Cc1ccccc1 ZINC000561608807 505389691 /nfs/dbraw/zinc/38/96/91/505389691.db2.gz JUCIBILHSMPGDF-DYXWJJEUSA-N 2 0 372.557 3.165 20 0 FGADRP CCC[N@H+](CC)CCNC(=O)N1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000561638909 505397423 /nfs/dbraw/zinc/39/74/23/505397423.db2.gz CGUOHJNHVYYAHP-QFIPXVFZSA-N 2 0 372.557 3.026 20 0 FGADRP C[C@@H](C[NH2+]Cc1c(Cl)cc(Cl)cc1N(C)C)CN1CC[NH+](C)CC1 ZINC000558483437 505404826 /nfs/dbraw/zinc/40/48/26/505404826.db2.gz QMPYLYHPYICUIM-AWEZNQCLSA-N 2 0 373.372 3.033 20 0 FGADRP CCN(CCC[NH+]1CCCC1)Cc1cc2c(cc1OC(F)F)OCO2 ZINC000567312030 505424417 /nfs/dbraw/zinc/42/44/17/505424417.db2.gz AECFRIPCPDINHQ-UHFFFAOYSA-N 2 0 356.413 3.325 20 0 FGADRP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+](C)C[C@@H]1CC=CCC1 ZINC000561784857 505437299 /nfs/dbraw/zinc/43/72/99/505437299.db2.gz LKRQRCVNCJXDJP-WOJBJXKFSA-N 2 0 369.553 3.444 20 0 FGADRP COc1nc(C)cc(C)c1C[NH+]1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000561839703 505447008 /nfs/dbraw/zinc/44/70/08/505447008.db2.gz FARAAGDDNKOPFN-QZTJIDSGSA-N 2 0 361.530 3.028 20 0 FGADRP O=C(N1CCCC1)N1CCC[C@@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)C1 ZINC000552325561 505461187 /nfs/dbraw/zinc/46/11/87/505461187.db2.gz XANFIEFPFRPQQV-LJQANCHMSA-N 2 0 362.562 3.053 20 0 FGADRP C[C@H](CNC(=O)[C@@H]1C[NH2+]C[C@H]1c1ccc(Cl)cc1)[N@@H+]1CCCC[C@H]1C ZINC000567515845 505485783 /nfs/dbraw/zinc/48/57/83/505485783.db2.gz DISSCYYAJLERAC-VVWQDTPRSA-N 2 0 363.933 3.022 20 0 FGADRP CC[C@H]1[NH2+]CC[C@H]1C(=O)NCc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000567608921 505512935 /nfs/dbraw/zinc/51/29/35/505512935.db2.gz URWIDIHDQSROQN-NHCUHLMSSA-N 2 0 357.542 3.455 20 0 FGADRP CCN1CC[C@H]([NH2+]Cc2cnc(C)n2C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000567753950 505556792 /nfs/dbraw/zinc/55/67/92/505556792.db2.gz MJEFRDTWSMACHZ-ROUUACIJSA-N 2 0 350.869 3.446 20 0 FGADRP C[C@H](CC(=O)N[C@H]1CCN(C)[C@@H]1c1ccc(Cl)cc1)C1CC[NH2+]CC1 ZINC000564935237 505561141 /nfs/dbraw/zinc/56/11/41/505561141.db2.gz SQRHEKGSKYCDOO-HEFCMCLBSA-N 2 0 363.933 3.227 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)[C@@H]([NH3+])c1ccccc1C)Cc1ccccc1 ZINC000567776334 505562106 /nfs/dbraw/zinc/56/21/06/505562106.db2.gz XERYLVBEDNHYMU-FPOVZHCZSA-N 2 0 353.510 3.064 20 0 FGADRP COc1cc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)c(-c2ccccc2)cc1OC ZINC000567870483 505569486 /nfs/dbraw/zinc/56/94/86/505569486.db2.gz DFDMABOFUSPJGB-MJGOQNOKSA-N 2 0 352.478 3.412 20 0 FGADRP CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)c2ccccc2CC2CC[NH2+]CC2)CC1 ZINC000582727515 506385871 /nfs/dbraw/zinc/38/58/71/506385871.db2.gz XKOCMEGMUQJZDM-OAQYLSRUSA-N 2 0 369.553 3.079 20 0 FGADRP CC[C@H](C)[N@H+](C)CCNC(=O)NCc1ccc(C[NH+]2CCC[C@@H](C)C2)cc1 ZINC000589209025 506485031 /nfs/dbraw/zinc/48/50/31/506485031.db2.gz KMORRMCRIVOUFN-MOPGFXCFSA-N 2 0 374.573 3.448 20 0 FGADRP CC[NH+](CC)Cc1ccccc1CNC(=O)N1CCC(C[NH+](C)C)CC1 ZINC000612210456 506485043 /nfs/dbraw/zinc/48/50/43/506485043.db2.gz IVBHOESNPASTQG-UHFFFAOYSA-N 2 0 360.546 3.012 20 0 FGADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]CCc1ccc(I)cc1 ZINC000596651197 506511821 /nfs/dbraw/zinc/51/18/21/506511821.db2.gz BFOYLCBIXBYEPT-CABCVRRESA-N 2 0 358.267 3.083 20 0 FGADRP CSC1(C[NH2+][C@@H](C)CCc2ccc3c(c2)OCO3)CC[NH+](C)CC1 ZINC000589349691 506526243 /nfs/dbraw/zinc/52/62/43/506526243.db2.gz SHEFKMHDMMTJMW-HNNXBMFYSA-N 2 0 350.528 3.153 20 0 FGADRP O=C(Nc1ccc2c(c1)C[NH2+]C2)[C@@H](c1ccccc1)N1CCSCC1 ZINC000583143011 506613593 /nfs/dbraw/zinc/61/35/93/506613593.db2.gz UWHRAEYLJTYUME-LJQANCHMSA-N 2 0 353.491 3.018 20 0 FGADRP CC(C)[NH+](CCNC(=O)N1CC[C@H]([N@H+](C)Cc2ccccc2)C1)C(C)C ZINC000608616173 506633526 /nfs/dbraw/zinc/63/35/26/506633526.db2.gz VNMHOSVVPPHVLO-FQEVSTJZSA-N 2 0 360.546 3.021 20 0 FGADRP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1ccccc1CC[NH3+] ZINC000583211171 506651986 /nfs/dbraw/zinc/65/19/86/506651986.db2.gz SOMFTNGFXDZTBS-HXUWFJFHSA-N 2 0 365.521 3.172 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@@H]1CCc2ccc(C)cc21 ZINC000608673414 506659285 /nfs/dbraw/zinc/65/92/85/506659285.db2.gz OLSDHCQQXHGOAG-PZJWPPBQSA-N 2 0 372.557 3.040 20 0 FGADRP C[C@@H](NC(=O)N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1)C1CC[NH+](C)CC1 ZINC000608693368 506668910 /nfs/dbraw/zinc/66/89/10/506668910.db2.gz PWDDOPOZTXNQEA-RTBURBONSA-N 2 0 372.557 3.023 20 0 FGADRP CCOC(=O)C(C)(C)CCC[C@H](C)[NH2+]C1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000593604424 506699380 /nfs/dbraw/zinc/69/93/80/506699380.db2.gz KJESXOOEXURRIO-YTQUADARSA-N 2 0 368.562 3.102 20 0 FGADRP CCOC(=O)C(C)(C)CCC[C@H](C)[NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000593604421 506700044 /nfs/dbraw/zinc/70/00/44/506700044.db2.gz KJESXOOEXURRIO-QXAKKESOSA-N 2 0 368.562 3.102 20 0 FGADRP CC(C)[NH+]1CCC(NC(=O)N[C@@H](C[NH+]2CCCCC2)c2ccccc2)CC1 ZINC000604157869 506729434 /nfs/dbraw/zinc/72/94/34/506729434.db2.gz PYWKRLIYIMGPMK-NRFANRHFSA-N 2 0 372.557 3.386 20 0 FGADRP CC[N@@H+]1CCC[C@@H](CNC(=O)N[C@@H](C[NH+]2CCCCC2)c2ccccc2)C1 ZINC000604193598 506745529 /nfs/dbraw/zinc/74/55/29/506745529.db2.gz BEXPVYRRFXAPDN-FPOVZHCZSA-N 2 0 372.557 3.245 20 0 FGADRP COC(=O)c1ccc(C[NH2+]CCCC[NH+]2C[C@H](C)C[C@@H](C)C2)cc1F ZINC000597047936 506749427 /nfs/dbraw/zinc/74/94/27/506749427.db2.gz SEZOCGIZQLUKHC-HZPDHXFCSA-N 2 0 350.478 3.460 20 0 FGADRP CC[N@H+](CCNC(=O)NCc1cccc(C[NH+]2CCC(C)CC2)c1)C(C)C ZINC000590355623 506803142 /nfs/dbraw/zinc/80/31/42/506803142.db2.gz YWACXGPMNNYCIO-UHFFFAOYSA-N 2 0 374.573 3.448 20 0 FGADRP CCc1oc(C[NH2+]CC2CC[NH+](Cc3ccncc3)CC2)cc1C(=O)OC ZINC000597191958 506825132 /nfs/dbraw/zinc/82/51/32/506825132.db2.gz NDDZRGWQJGRCCL-UHFFFAOYSA-N 2 0 371.481 3.025 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N[C@H]2CC23CC[NH2+]CC3)cc1 ZINC000612963357 506842538 /nfs/dbraw/zinc/84/25/38/506842538.db2.gz MWPIAEHQDUUWCT-XLIONFOSSA-N 2 0 370.541 3.002 20 0 FGADRP O=C(NCc1ccccc1C[NH+]1CCCCCC1)N[C@@H]1CC12CC[NH2+]CC2 ZINC000612969787 506845343 /nfs/dbraw/zinc/84/53/43/506845343.db2.gz GROFHHADTGPXLN-HXUWFJFHSA-N 2 0 370.541 3.004 20 0 FGADRP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000594105047 506941567 /nfs/dbraw/zinc/94/15/67/506941567.db2.gz WYUQRGYNLLJWOF-SBHAEUEKSA-N 2 0 372.557 3.213 20 0 FGADRP CC[NH+]1CCC(C[NH2+]Cc2cn(-c3ccc(Cl)c(Cl)c3)nn2)CC1 ZINC000583776636 506965618 /nfs/dbraw/zinc/96/56/18/506965618.db2.gz MUVDPFJQLZNNJQ-UHFFFAOYSA-N 2 0 368.312 3.396 20 0 FGADRP Cn1cncc1CCC[N@@H+]1CCC[C@@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000583880140 507028412 /nfs/dbraw/zinc/02/84/12/507028412.db2.gz OJSFASYJLQCDKN-MRXNPFEDSA-N 2 0 369.444 3.421 20 0 FGADRP Cc1ccccc1C[NH+]1CCC(NC(=O)NC[C@H]2[NH2+]CCCC2(C)C)CC1 ZINC000583920553 507050869 /nfs/dbraw/zinc/05/08/69/507050869.db2.gz JQRATCKVAMLOAT-HXUWFJFHSA-N 2 0 372.557 3.037 20 0 FGADRP CCCC[NH+]1CCC([NH2+]CC2(O)CCC(C(=O)OC(C)(C)C)CC2)CC1 ZINC000600720521 507082153 /nfs/dbraw/zinc/08/21/53/507082153.db2.gz HQSFUCWUHYLSNX-UHFFFAOYSA-N 2 0 368.562 3.104 20 0 FGADRP CCCC[N@H+](C)CC1CC[NH+](CC(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)CC1 ZINC000613493174 507116949 /nfs/dbraw/zinc/11/69/49/507116949.db2.gz YGJAFGUAAGSOPF-WSTZPKSXSA-N 2 0 351.579 3.371 20 0 FGADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000600835570 507140800 /nfs/dbraw/zinc/14/08/00/507140800.db2.gz FUAIFKHEQCAAKB-NRFANRHFSA-N 2 0 372.557 3.346 20 0 FGADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000600887431 507163154 /nfs/dbraw/zinc/16/31/54/507163154.db2.gz KIOWWDJOXJGVEP-UYAOXDASSA-N 2 0 374.573 3.489 20 0 FGADRP CC[C@H](C[NH+]1CCCC1)NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000605374245 507165185 /nfs/dbraw/zinc/16/51/85/507165185.db2.gz SQXAHKKCIFZTBS-UYAOXDASSA-N 2 0 361.505 3.028 20 0 FGADRP C[C@@H](CNC(=O)c1ccccc1OCC[N@@H+]1CCCC[C@H]1C)[NH+]1CCCC1 ZINC000591430852 507247846 /nfs/dbraw/zinc/24/78/46/507247846.db2.gz VRZGAMGCFWQSFV-MOPGFXCFSA-N 2 0 373.541 3.154 20 0 FGADRP C[C@@H]([NH2+][C@H]1CCC[NH2+]CC1)c1ccc(F)c(I)c1 ZINC000591578393 507300113 /nfs/dbraw/zinc/30/01/13/507300113.db2.gz YUNJNRBSRQVWSJ-PWSUYJOCSA-N 2 0 362.230 3.223 20 0 FGADRP CC(C)[NH2+][C@@H]1CCCN(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000601222939 507302808 /nfs/dbraw/zinc/30/28/08/507302808.db2.gz SEJPPWAZIRAHJU-OAQYLSRUSA-N 2 0 372.557 3.345 20 0 FGADRP Cc1ccc([C@@H](CNC(=O)N(C)[C@H]2CC[N@@H+](C3CC3)C2)[NH+]2CCCC2)cc1 ZINC000601290283 507324694 /nfs/dbraw/zinc/32/46/94/507324694.db2.gz KASFSTFWBPGHOX-LEWJYISDSA-N 2 0 370.541 3.010 20 0 FGADRP CSCc1cnc(C[NH2+]CC2CC[NH+](Cc3ccncc3)CC2)s1 ZINC000594970371 507336775 /nfs/dbraw/zinc/33/67/75/507336775.db2.gz ZSABRJLIWLFZIP-UHFFFAOYSA-N 2 0 362.568 3.403 20 0 FGADRP C[C@H](CSCCF)[NH2+]Cc1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000595003750 507350048 /nfs/dbraw/zinc/35/00/48/507350048.db2.gz LLEVHGZVEWQGIV-IKGGRYGDSA-N 2 0 354.535 3.477 20 0 FGADRP CC[NH+]1CCN(Cc2ccccc2C[NH2+][C@H](C)CSCCF)CC1 ZINC000595009131 507352625 /nfs/dbraw/zinc/35/26/25/507352625.db2.gz DNRQFMUCFIBURO-QGZVFWFLSA-N 2 0 353.551 3.005 20 0 FGADRP [NH3+]C[C@@H](NC(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1)c1ccc2ccccc2c1 ZINC000584459717 507358186 /nfs/dbraw/zinc/35/81/86/507358186.db2.gz MOKYVLJGHFGANO-LEWJYISDSA-N 2 0 366.509 3.013 20 0 FGADRP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]CC2CC[NH+](Cc3ccncc3)CC2)C[C@H]1C ZINC000595069612 507377556 /nfs/dbraw/zinc/37/75/56/507377556.db2.gz ZWGPAXUPHWHVKV-DUXKGJEZSA-N 2 0 373.541 3.251 20 0 FGADRP CC[NH+](CC)Cc1ccccc1CNC(=O)[C@]1(c2ccccc2)CC[NH2+]C1 ZINC000584526226 507393502 /nfs/dbraw/zinc/39/35/02/507393502.db2.gz DLSJVCJLUPJGPX-HSZRJFAPSA-N 2 0 365.521 3.076 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(C[NH2+]C[C@H]2CNc3ccnn3C2)cc1 ZINC000595140664 507407550 /nfs/dbraw/zinc/40/75/50/507407550.db2.gz LZUWJAUUPFBRPP-XLIONFOSSA-N 2 0 353.514 3.089 20 0 FGADRP CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)[C@H]1CCCC[C@@]1(C)[NH3+] ZINC000584617432 507432233 /nfs/dbraw/zinc/43/22/33/507432233.db2.gz UCTSRYYMIGWNSM-TZIWHRDSSA-N 2 0 358.530 3.054 20 0 FGADRP CN(C(=O)c1ccc(CC[NH+](C)C)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000584663722 507438117 /nfs/dbraw/zinc/43/81/17/507438117.db2.gz KBSCJTPUZNYWLH-QFIPXVFZSA-N 2 0 365.521 3.137 20 0 FGADRP C[NH+](C)C1(CNC(=O)N2CCC[N@@H+](C3CCCC3)CC2)CCCCCC1 ZINC000606625113 507456818 /nfs/dbraw/zinc/45/68/18/507456818.db2.gz WDTMTZRZXSKMEW-UHFFFAOYSA-N 2 0 364.578 3.301 20 0 FGADRP C[C@@H]([NH2+]C1(CNC(=O)N2CCC([C@H](C)[NH3+])CC2)CCCC1)c1ccccc1 ZINC000584710140 507463901 /nfs/dbraw/zinc/46/39/01/507463901.db2.gz KDRKMHCLVSMUDG-ZWKOTPCHSA-N 2 0 372.557 3.419 20 0 FGADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCC[NH+](C2CCCC2)CC1 ZINC000606684420 507478272 /nfs/dbraw/zinc/47/82/72/507478272.db2.gz VHWFYMKQCHPOMO-HXUWFJFHSA-N 2 0 364.578 3.301 20 0 FGADRP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N[C@@H](C)C2CC[NH+](C)CC2)CC1 ZINC000606692345 507484125 /nfs/dbraw/zinc/48/41/25/507484125.db2.gz QAHFPHYLRRLVCQ-ZWKOTPCHSA-N 2 0 372.557 3.242 20 0 FGADRP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NCC(=O)N1CCCCCC1 ZINC000390843098 568319777 /nfs/dbraw/zinc/31/97/77/568319777.db2.gz DUZHAFLBYBDARS-HXUWFJFHSA-N 2 0 357.542 3.279 20 0 FGADRP C[NH+]1CCN(C(C)(C)C[NH2+]Cc2ccc(Br)c(Cl)c2)CC1 ZINC000234332451 568427235 /nfs/dbraw/zinc/42/72/35/568427235.db2.gz AZTKQZMYNOHUJB-UHFFFAOYSA-N 2 0 374.754 3.218 20 0 FGADRP C[C@H](c1ccc(-c2nn[nH]n2)cc1)[N@@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000736275182 599338066 /nfs/dbraw/zinc/33/80/66/599338066.db2.gz HYMAUJFMXRGQPV-QZTJIDSGSA-N 2 0 368.529 3.372 20 0 FGADRP CC1CC[NH+](C2CCC([NH2+]Cc3ccc(-c4nn[nH]n4)s3)CC2)CC1 ZINC000824953300 607753547 /nfs/dbraw/zinc/75/35/47/607753547.db2.gz DTGIGJICBCNPGO-UHFFFAOYSA-N 2 0 360.531 3.061 20 0 FGADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H]1CCCc2cc(-c3nn[nH]n3)ccc21 ZINC000825413060 608494939 /nfs/dbraw/zinc/49/49/39/608494939.db2.gz WZIWYLSVWSPLFF-HNAYVOBHSA-N 2 0 356.518 3.344 20 0 FGADRP C[NH+](C)Cc1cccc(C[NH2+][C@H]2CCCc3cc(-c4nn[nH]n4)ccc32)c1 ZINC000825870512 608498654 /nfs/dbraw/zinc/49/86/54/608498654.db2.gz PLZIAKGMDZIPSX-FQEVSTJZSA-N 2 0 362.481 3.096 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+][C@@H]1CCCc2cc(-c3nn[nH]n3)ccc21 ZINC000824935389 608501613 /nfs/dbraw/zinc/50/16/13/608501613.db2.gz ALDDJFLSUOOAHW-OXQOHEQNSA-N 2 0 368.529 3.488 20 0 FGADRP C[C@H]([NH2+]CCCC[N@@H+]1CCCC[C@H]1C)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824585488 609132835 /nfs/dbraw/zinc/13/28/35/609132835.db2.gz RIIUIGFJUBIGKQ-CABCVRRESA-N 2 0 360.481 3.311 20 0 FGADRP CC(C)COC(=O)N1CCC([NH2+]CCCC[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000089139067 700382511 /nfs/dbraw/zinc/38/25/11/700382511.db2.gz WKBWAAXQPSCWNA-SFHVURJKSA-N 2 0 353.551 3.345 20 0 FGADRP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]C[C@@H]2CSCCS2)CC1 ZINC000092411006 700435384 /nfs/dbraw/zinc/43/53/84/700435384.db2.gz SOMQZZFOWCKOCO-CQSZACIVSA-N 2 0 372.003 3.030 20 0 FGADRP C[C@H]([NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1)c1cccnc1Cl ZINC000124667258 700723159 /nfs/dbraw/zinc/72/31/59/700723159.db2.gz VWTNCWPKTFXAQQ-INIZCTEOSA-N 2 0 350.938 3.336 20 0 FGADRP C[C@H](C[NH2+][C@H]1CCc2cc(Cl)cc(Cl)c21)CN1CC[NH+](C)CC1 ZINC000134378904 704821863 /nfs/dbraw/zinc/82/18/63/704821863.db2.gz LTKLGRURRCMPPG-DYVFJYSZSA-N 2 0 356.341 3.454 20 0 FGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]CCCCCCO)CC1 ZINC000181643803 705802601 /nfs/dbraw/zinc/80/26/01/705802601.db2.gz LFTDYMFOMCZCMP-QGZVFWFLSA-N 2 0 351.510 3.171 20 0 FGADRP COc1ccc([C@H](C)[NH2+][C@@H](CCO)CSC)cc1C[NH+]1CCCCC1 ZINC000183011413 705873909 /nfs/dbraw/zinc/87/39/09/705873909.db2.gz HZCLOPQGKVIZDS-LPHOPBHVSA-N 2 0 366.571 3.446 20 0 FGADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H](C)c1cc(Br)cc(C)c1O ZINC000187289309 712738067 /nfs/dbraw/zinc/73/80/67/712738067.db2.gz UZGUOGJMOOEBBO-UKRRQHHQSA-N 2 0 373.335 3.471 20 0 FGADRP C[C@H]1CCCC[N@@H+]1CCC[NH2+]C[C@]1(C)CCN(C(=O)OC(C)(C)C)C1 ZINC000195185665 713548474 /nfs/dbraw/zinc/54/84/74/713548474.db2.gz WSNGCTCCBWLHNR-PXNSSMCTSA-N 2 0 353.551 3.488 20 0 FGADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@H]2CCC[C@@H]2NC(=O)OC(C)(C)C)C1 ZINC000245885020 713613222 /nfs/dbraw/zinc/61/32/22/713613222.db2.gz OKBWXXQWXXOKFG-SQNIBIBYSA-N 2 0 353.551 3.390 20 0 FGADRP CC(C)(C)OC(=O)N1CCC[C@H](C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)C1 ZINC000246260063 713620645 /nfs/dbraw/zinc/62/06/45/713620645.db2.gz YDWGEHNFNRNJTN-MSOLQXFVSA-N 2 0 351.535 3.051 20 0 FGADRP Cc1cc(Br)ccc1[C@H](C)[NH2+]C[C@H](C)N1CC[NH+](C)CC1 ZINC000641775983 717928855 /nfs/dbraw/zinc/92/88/55/717928855.db2.gz QXBLZUZLRRLOBU-GJZGRUSLSA-N 2 0 354.336 3.044 20 0 FGADRP CC(C)([NH3+])CCNC(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000641818987 717932332 /nfs/dbraw/zinc/93/23/32/717932332.db2.gz KXOYLHVAROVOLM-UHFFFAOYSA-N 2 0 350.532 3.123 20 0 FGADRP COCC[C@H]1CCC[C@H]1[NH2+]CC1(N2CC[NH+](C)CC2)CCCCCC1 ZINC000374287730 713910863 /nfs/dbraw/zinc/91/08/63/713910863.db2.gz MPSWHOLQYWYCJU-WOJBJXKFSA-N 2 0 351.579 3.122 20 0 FGADRP CC1CC[NH+](CCC[NH2+][C@H]2CCC[C@H]2CNC(=O)OC(C)(C)C)CC1 ZINC000384457571 713982139 /nfs/dbraw/zinc/98/21/39/713982139.db2.gz ZINOEYSWLKWZAW-ROUUACIJSA-N 2 0 353.551 3.391 20 0 FGADRP CC(C)(C)OC(=O)N1CCC(C)(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000386011702 713984230 /nfs/dbraw/zinc/98/42/30/713984230.db2.gz UXVJQDIRSMEWHU-DLBZAZTESA-N 2 0 351.535 3.240 20 0 FGADRP CC[NH+](CC)Cc1cccc(C[NH2+]Cc2cccc(S(C)(=O)=O)c2)c1 ZINC000449090213 714040696 /nfs/dbraw/zinc/04/06/96/714040696.db2.gz MPVTXLNEFCNARU-UHFFFAOYSA-N 2 0 360.523 3.222 20 0 FGADRP CCCC[NH+]1CCC(NC(=O)N2CCC(C[N@H+](C)C(C)C)CC2)CC1 ZINC000523351752 714229127 /nfs/dbraw/zinc/22/91/27/714229127.db2.gz GVULAJDMNVODRK-UHFFFAOYSA-N 2 0 352.567 3.013 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)NC[C@H]1CC[N@@H+](C(C)C)C1)c1ccsc1 ZINC000523812591 714253971 /nfs/dbraw/zinc/25/39/71/714253971.db2.gz MFWIVYLLIIEXDK-SJLPKXTDSA-N 2 0 366.575 3.161 20 0 FGADRP C[NH+](C)C1(CNC(=O)NC2CC[NH+](C(C)(C)C)CC2)CCCCCC1 ZINC000615755036 714548490 /nfs/dbraw/zinc/54/84/90/714548490.db2.gz LBQROXHECTUFLK-UHFFFAOYSA-N 2 0 352.567 3.203 20 0 FGADRP CC[NH+](CC)CCN(Cc1cccs1)C(=O)CC[C@@H]1CCC[NH2+]C1 ZINC000621641219 715013489 /nfs/dbraw/zinc/01/34/89/715013489.db2.gz DCSDXRRWZMLXME-KRWDZBQOSA-N 2 0 351.560 3.198 20 0 FGADRP CN(CCC[NH2+]Cc1cnc(-c2ccc(Cl)cc2)s1)CC[NH+](C)C ZINC000623088198 715162580 /nfs/dbraw/zinc/16/25/80/715162580.db2.gz ZMPHHDQRDZUMRX-UHFFFAOYSA-N 2 0 366.962 3.437 20 0 FGADRP COC[C@H](CCC[NH3+])[NH2+]C1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000643458562 718034852 /nfs/dbraw/zinc/03/48/52/718034852.db2.gz DVHQNAXYLSAMTC-DCAQKATOSA-N 2 0 350.347 3.239 20 0 FGADRP C[C@H]([NH2+][C@H]1CC12CC[NH2+]CC2)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000643533851 718038192 /nfs/dbraw/zinc/03/81/92/718038192.db2.gz FXAWZOUBHNWEPL-KXBFYZLASA-N 2 0 362.539 3.196 20 0 FGADRP COc1cc(C[NH2+]CC2(N3CCCCC3)CC[NH+](C)CC2)ccc1Cl ZINC000623432185 715334999 /nfs/dbraw/zinc/33/49/99/715334999.db2.gz HXBBGUXPWXCLBN-UHFFFAOYSA-N 2 0 365.949 3.389 20 0 FGADRP Cc1ccc(Br)cc1[C@@H](C)[NH2+]C[C@H](C)N1CC[NH+](C)CC1 ZINC000623888653 715425006 /nfs/dbraw/zinc/42/50/06/715425006.db2.gz OUHODHURRUFZFH-LSDHHAIUSA-N 2 0 354.336 3.044 20 0 FGADRP Cc1ccc(Br)cc1[C@H](C)[NH2+][C@H](C)CCN1CC[NH+](C)CC1 ZINC000623963400 715441877 /nfs/dbraw/zinc/44/18/77/715441877.db2.gz GQUFYOWFOZIGSW-CVEARBPZSA-N 2 0 368.363 3.434 20 0 FGADRP CN(CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@H]21)CC(F)F ZINC000624329108 715512302 /nfs/dbraw/zinc/51/23/02/715512302.db2.gz MGJZRLZMDRNZES-OTWHNJEPSA-N 2 0 351.485 3.216 20 0 FGADRP CN(CCCC[NH+](C)C)C(=O)[C@H]1CCCN1Cc1ccc(Cl)cc1 ZINC000625729536 715781040 /nfs/dbraw/zinc/78/10/40/715781040.db2.gz WBURWEBCMVAMCO-GOSISDBHSA-N 2 0 351.922 3.105 20 0 FGADRP C[C@H]1CC(F)(F)CCN1CC1(C[N@@H+]2CCC(F)(F)C[C@@H]2C)COC1 ZINC000625980208 715821072 /nfs/dbraw/zinc/82/10/72/715821072.db2.gz JBGIIYLUNFIFBE-KBPBESRZSA-N 2 0 352.416 3.242 20 0 FGADRP C[NH+](C)C[C@H](NC(=O)NCCC[NH2+]C1CC1)c1ccc(Cl)c(Cl)c1 ZINC000627064886 715991555 /nfs/dbraw/zinc/99/15/55/715991555.db2.gz VXIVRIOYVKVOGC-INIZCTEOSA-N 2 0 373.328 3.037 20 0 FGADRP C[NH+](C)CCOc1ccccc1N1CC[NH+](C[C@@]2(C)CCCS2)CC1 ZINC000628175380 716120700 /nfs/dbraw/zinc/12/07/00/716120700.db2.gz VNSQATLIIUJLHW-HXUWFJFHSA-N 2 0 363.571 3.035 20 0 FGADRP C[C@@]1(C[NH+]2CCN([C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)CCCS1 ZINC000628272122 716133126 /nfs/dbraw/zinc/13/31/26/716133126.db2.gz DRXXXVFWIZSJSX-SFTDATJTSA-N 2 0 359.583 3.164 20 0 FGADRP C[C@@]1(C[NH+]2CCN([C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)CCCS1 ZINC000628272121 716133253 /nfs/dbraw/zinc/13/32/53/716133253.db2.gz DRXXXVFWIZSJSX-RTWAWAEBSA-N 2 0 359.583 3.164 20 0 FGADRP C[NH2+]CCOCC[NH2+][C@@H](c1ccc(Br)cc1Cl)C1CC1 ZINC000629530990 716304129 /nfs/dbraw/zinc/30/41/29/716304129.db2.gz WVMOFSHINYJAOG-OAHLLOKOSA-N 2 0 361.711 3.379 20 0 FGADRP [NH3+]C[C@H]1C[N@H+](CCC(=O)Nc2ccc(Cl)cc2)CC[C@@H]1C(F)(F)F ZINC000629565850 716310292 /nfs/dbraw/zinc/31/02/92/716310292.db2.gz XSGHWQNUEAIHAH-FZMZJTMJSA-N 2 0 363.811 3.128 20 0 FGADRP [NH3+]CCCOCC[NH2+]Cc1cn(-c2ccccc2)nc1-c1cccs1 ZINC000629660380 716331915 /nfs/dbraw/zinc/33/19/15/716331915.db2.gz SSSBMKQXAYCLNO-UHFFFAOYSA-N 2 0 356.495 3.056 20 0 FGADRP CC(C)[C@@H](C[NH2+]Cc1ccccc1CC(F)(F)F)N1CC[NH+](C)CC1 ZINC000631039164 716553248 /nfs/dbraw/zinc/55/32/48/716553248.db2.gz SGWAADUCTUUNQE-GOSISDBHSA-N 2 0 357.464 3.153 20 0 FGADRP O[C@H]1CCC[C@@H]1[NH+]1CCC([NH2+]Cc2ccccc2CC(F)(F)F)CC1 ZINC000631091301 716563588 /nfs/dbraw/zinc/56/35/88/716563588.db2.gz LTYGNXOZQSWVTC-ROUUACIJSA-N 2 0 356.432 3.259 20 0 FGADRP Brc1cnccc1C[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000631105224 716566527 /nfs/dbraw/zinc/56/65/27/716566527.db2.gz LRPMMBCEOGVGIR-UHFFFAOYSA-N 2 0 361.287 3.245 20 0 FGADRP C[N@@H+]1CCC[C@@H](CNC(=O)C23CCC[NH+](CCC2)C3)[C@@H]1c1cccs1 ZINC000635602421 717180848 /nfs/dbraw/zinc/18/08/48/717180848.db2.gz GYCQDNXTNWTTDN-FUHWJXTLSA-N 2 0 361.555 3.123 20 0 FGADRP CC(C)(O)C[NH+]1CCC([NH2+]CCc2csc(-c3ccccc3)n2)CC1 ZINC000638307669 717432667 /nfs/dbraw/zinc/43/26/67/717432667.db2.gz RALPUUYMOKMNLS-UHFFFAOYSA-N 2 0 359.539 3.178 20 0 FGADRP CCN1CC[NH+](CCCC[NH2+][C@H]2C[C@@H](OC(C)(C)C)C23CCC3)CC1 ZINC000638360541 717438920 /nfs/dbraw/zinc/43/89/20/717438920.db2.gz UEZLIXQVFSQEDU-RBUKOAKNSA-N 2 0 351.579 3.120 20 0 FGADRP C[C@@H](C(=O)N1CCC[C@H]1c1cccs1)[N@@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639758515 717598858 /nfs/dbraw/zinc/59/88/58/717598858.db2.gz VVYNMHFYEQEUMV-IRXDYDNUSA-N 2 0 361.555 3.218 20 0 FGADRP COc1ccc(NC(=O)CC[N@@H+]2CCC3(C2)CC[NH+](C)CC3)cc1Cl ZINC000639757113 717599292 /nfs/dbraw/zinc/59/92/92/717599292.db2.gz FWNAPNCWMSIKEN-UHFFFAOYSA-N 2 0 365.905 3.095 20 0 FGADRP CC[C@@H]1c2ccsc2CCN1C(=O)C[N@@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639759857 717599677 /nfs/dbraw/zinc/59/96/77/717599677.db2.gz LXNFLOHVOAXKSS-QGZVFWFLSA-N 2 0 361.555 3.002 20 0 FGADRP C[NH+]1CCC(CC(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)CC1 ZINC000643902363 718064353 /nfs/dbraw/zinc/06/43/53/718064353.db2.gz AVWGSSGCUOLKSW-IBGZPJMESA-N 2 0 363.933 3.325 20 0 FGADRP C[NH+](C)C1CCC([NH2+]C[C@@H](O)COc2ccc(Cl)c(Cl)c2)CC1 ZINC000644675196 718140837 /nfs/dbraw/zinc/14/08/37/718140837.db2.gz ZVTOMVPLHDXTOM-JXQTWKCFSA-N 2 0 361.313 3.196 20 0 FGADRP CCCN(C(=O)NC[C@@H](c1ccsc1)[NH+](CC)CC)[C@@H]1CC[N@H+](C)C1 ZINC000645159427 718188284 /nfs/dbraw/zinc/18/82/84/718188284.db2.gz ALONTSRWORKSLT-MSOLQXFVSA-N 2 0 366.575 3.257 20 0 FGADRP CC[NH+]1CCN(Cc2ccc(C[NH2+]C3CCC(F)(F)CC3)cc2)CC1 ZINC000647172094 718337424 /nfs/dbraw/zinc/33/74/24/718337424.db2.gz HZXFEMLXBOMVBN-UHFFFAOYSA-N 2 0 351.485 3.492 20 0 FGADRP C[N@@H+]1C[C@@H](C[NH2+]Cc2cc(-n3ccnc3)cs2)[C@H](c2ccccc2)C1 ZINC000647249261 718343143 /nfs/dbraw/zinc/34/31/43/718343143.db2.gz OBRDRHBMGJAVSH-XLIONFOSSA-N 2 0 352.507 3.369 20 0 FGADRP COc1cc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)ccc1OCC(F)(F)F ZINC000647549720 718367177 /nfs/dbraw/zinc/36/71/77/718367177.db2.gz OCBZFTPMBFLESA-RBSFLKMASA-N 2 0 358.404 3.114 20 0 FGADRP C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@H]3C[NH2+]CCC3(F)F)cc2)C1 ZINC000649288210 718501252 /nfs/dbraw/zinc/50/12/52/718501252.db2.gz CZHSPBRXZWOHIW-WMLDXEAASA-N 2 0 351.441 3.102 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)[C@@H]([NH3+])c2cccc(Cl)c2)C1 ZINC000649311556 718503266 /nfs/dbraw/zinc/50/32/66/718503266.db2.gz ZFEAMDCAHLFXLJ-MDZRGWNJSA-N 2 0 363.933 3.453 20 0 FGADRP C[NH+](C)[C@H](CNC(=O)[C@H]([NH3+])c1cccc(Cl)c1)c1ccc(Cl)cc1 ZINC000649346441 718506325 /nfs/dbraw/zinc/50/63/25/718506325.db2.gz HUKXFXQQNANIOY-IAGOWNOFSA-N 2 0 366.292 3.412 20 0 FGADRP CCOc1c(Br)cc(C[NH2+]CCC2(C[NH3+])CC2)cc1OC ZINC000650712220 718718737 /nfs/dbraw/zinc/71/87/37/718718737.db2.gz WYWZCUOGEGYGEM-UHFFFAOYSA-N 2 0 357.292 3.075 20 0 FGADRP COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]CCC1CC[NH2+]CC1 ZINC000650763729 718725134 /nfs/dbraw/zinc/72/51/34/718725134.db2.gz IDROIEYVFFCELV-ZDUSSCGKSA-N 2 0 353.894 3.045 20 0 FGADRP CC[N@H+](CCCNC(=O)N[C@H](C)C1CC[NH+](C)CC1)C1CCCCC1 ZINC000650895290 718741516 /nfs/dbraw/zinc/74/15/16/718741516.db2.gz WASOSTFLTDHTGC-QGZVFWFLSA-N 2 0 352.567 3.061 20 0 FGADRP CC[N@H+](CCCNC(=O)N(C)[C@H]1CC[NH+](C)C[C@@H]1C)C1CCCCC1 ZINC000651220057 718784093 /nfs/dbraw/zinc/78/40/93/718784093.db2.gz QXDLJMSQWGPWSE-HKUYNNGSSA-N 2 0 352.567 3.013 20 0 FGADRP CC[N@H+](CCCNC(=O)N(C)[C@H]1CC[NH+](C)C[C@H]1C)C1CCCCC1 ZINC000651220059 718784135 /nfs/dbraw/zinc/78/41/35/718784135.db2.gz QXDLJMSQWGPWSE-MJGOQNOKSA-N 2 0 352.567 3.013 20 0 FGADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH+]1CCC2(CC1)C(F)(F)C2(F)F ZINC000651900904 718885927 /nfs/dbraw/zinc/88/59/27/718885927.db2.gz ORGOJRYLOCMOKM-UHFFFAOYSA-N 2 0 354.351 3.442 20 0 FGADRP CSc1ccc(OCC[N@@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)cc1 ZINC000652348511 718935225 /nfs/dbraw/zinc/93/52/25/718935225.db2.gz GZLYHGVSGLYRSQ-BXWFABGCSA-N 2 0 350.528 3.006 20 0 FGADRP Cc1nc(C(F)(F)F)c(C[N@@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)s1 ZINC000652349619 718935414 /nfs/dbraw/zinc/93/54/14/718935414.db2.gz VNRDPBZXCSDZMV-YNEHKIRRSA-N 2 0 363.449 3.189 20 0 FGADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2CCCOc2cccc(Cl)c2)C1 ZINC000652362257 718936716 /nfs/dbraw/zinc/93/67/16/718936716.db2.gz BKSSGFALQXJPCT-QRQLOZEOSA-N 2 0 352.906 3.470 20 0 FGADRP CCC[N@@H+]1CCCC[C@@H]1c1ccc(-n2c(C)nc3c2CC[NH2+]CC3)nc1 ZINC001164427134 718949272 /nfs/dbraw/zinc/94/92/72/718949272.db2.gz BFLVCMKLNOMAIW-LJQANCHMSA-N 2 0 353.514 3.201 20 0 FGADRP C[C@H]1CN(C(=O)Nc2ccc(SCC[NH+]3CCCC3)cc2)CC[C@@H]1[NH3+] ZINC000652613444 718966374 /nfs/dbraw/zinc/96/63/74/718966374.db2.gz UNMXVWGKXHPUQT-YJBOKZPZSA-N 2 0 362.543 3.076 20 0 FGADRP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000652613548 718966434 /nfs/dbraw/zinc/96/64/34/718966434.db2.gz WBXGMNOGJPLXOI-HZPDHXFCSA-N 2 0 362.543 3.076 20 0 FGADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000655711820 719328518 /nfs/dbraw/zinc/32/85/18/719328518.db2.gz NFASYTMRWUHJMC-UYAOXDASSA-N 2 0 351.579 3.120 20 0 FGADRP C[NH+](C)Cc1cc(NC2CC[NH+](C[C@@H]3CCCO3)CC2)ccc1Cl ZINC000655764155 719336852 /nfs/dbraw/zinc/33/68/52/719336852.db2.gz WSBULJXUWRIKNM-SFHVURJKSA-N 2 0 351.922 3.457 20 0 FGADRP Brc1ccc2oc(C[NH2+]CCCC[NH+]3CCOCC3)cc2c1 ZINC000657312878 719623225 /nfs/dbraw/zinc/62/32/25/719623225.db2.gz LSAZOQVPWXSRTP-UHFFFAOYSA-N 2 0 367.287 3.397 20 0 FGADRP COc1ncc([C@H](C)[NH2+]CC2CC[NH+](C3CCOCC3)CC2)cc1Cl ZINC000658070810 719751598 /nfs/dbraw/zinc/75/15/98/719751598.db2.gz RHVNYELFYQLDMC-AWEZNQCLSA-N 2 0 367.921 3.285 20 0 FGADRP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]CC(C)(C)[C@@]3(O)CCCOC3)CC2)C1 ZINC000658313074 719784852 /nfs/dbraw/zinc/78/48/52/719784852.db2.gz WQUBIBSOKSUIRG-YFVAEKQCSA-N 2 0 352.563 3.187 20 0 FGADRP c1csc(C[N@@H+]2CCOC3(CCN(c4cc5[nH]ccc5c[nH+]4)CC3)C2)c1 ZINC001164694709 719887445 /nfs/dbraw/zinc/88/74/45/719887445.db2.gz CUOMPIJSZJKVIP-UHFFFAOYSA-N 2 0 368.506 3.496 20 0 FGADRP Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)C1([NH3+])CC2(CCC2)C1 ZINC000659285860 719891331 /nfs/dbraw/zinc/89/13/31/719891331.db2.gz SIYZMJZUVFTQOS-UHFFFAOYSA-N 2 0 359.539 3.144 20 0 FGADRP C[C@@H]1CN(CC[NH+]2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)C[C@@H](C)O1 ZINC000660007129 719971138 /nfs/dbraw/zinc/97/11/38/719971138.db2.gz HFRZQOYEGWPHRA-XUVXKRRUSA-N 2 0 351.579 3.072 20 0 FGADRP CO[C@H](C[N@H+](C)[C@@H]1CCC[NH+](C[C@@H](OC)C2CCC2)CC1)C1CCC1 ZINC000660124243 719993457 /nfs/dbraw/zinc/99/34/57/719993457.db2.gz GPCMFSVUDFRCOY-NJDAHSKKSA-N 2 0 352.563 3.403 20 0 FGADRP C[N@@H+]1CC[C@]2(C1)CCC[NH+](C[C@@H](O)Cc1ccccc1C(F)(F)F)C2 ZINC000660659899 720094435 /nfs/dbraw/zinc/09/44/35/720094435.db2.gz SARWNMQYLJTMSV-WMZOPIPTSA-N 2 0 356.432 3.027 20 0 FGADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@H+](Cc3cc(F)ccc3OC(F)F)C2)C1 ZINC000662286860 720409896 /nfs/dbraw/zinc/40/98/96/720409896.db2.gz STDNGKOQSSZBKY-SRCQZFHVSA-N 2 0 358.404 3.145 20 0 FGADRP CSc1cccc(NC(=O)[C@@H](C)[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)c1 ZINC000662290516 720410609 /nfs/dbraw/zinc/41/06/09/720410609.db2.gz FOAYJZNGJLQNOT-NVXWUHKLSA-N 2 0 361.555 3.447 20 0 FGADRP O=C(C[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1)Nc1ccc(F)c(Cl)c1 ZINC000662295598 720411535 /nfs/dbraw/zinc/41/15/35/720411535.db2.gz VPORJPYORIBULJ-CQSZACIVSA-N 2 0 353.869 3.129 20 0 FGADRP Cc1ccc(SCCNC(=O)C[N@H+]2CCC[C@@H](C)[C@H]2CCC[NH3+])cc1 ZINC000662314594 720414603 /nfs/dbraw/zinc/41/46/03/720414603.db2.gz OHZRQKPNZXRSJS-IEBWSBKVSA-N 2 0 363.571 3.043 20 0 FGADRP CC[C@@H]([NH2+]C)C(=O)N(CCC[NH+](C)C)Cc1ccc(Cl)c(Cl)c1 ZINC000662410275 720425697 /nfs/dbraw/zinc/42/56/97/720425697.db2.gz XNBVWTSJFBJFFD-MRXNPFEDSA-N 2 0 360.329 3.272 20 0 FGADRP CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3cc4[nH]ccc4c[nH+]3)CC[C@@H]21 ZINC001164834897 720516063 /nfs/dbraw/zinc/51/60/63/720516063.db2.gz HXCMWUJKWLKKBC-HBFSDRIKSA-N 2 0 364.497 3.137 20 0 FGADRP CC[C@@H](Cc1ccc(Cl)cc1Cl)[NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1 ZINC000665292049 720751280 /nfs/dbraw/zinc/75/12/80/720751280.db2.gz RLEDCWHMVFBQEV-LBPRGKRZSA-N 2 0 355.269 3.059 20 0 FGADRP CC(C)[N@H+](C)Cc1cnc2n1CCN(c1cc(N3CCCC3)cc[nH+]1)[C@H]2C ZINC001164856277 720979174 /nfs/dbraw/zinc/97/91/74/720979174.db2.gz AOKNKZGKPRKPGZ-KRWDZBQOSA-N 2 0 368.529 3.300 20 0 FGADRP C[C@@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000666954217 721005135 /nfs/dbraw/zinc/00/51/35/721005135.db2.gz SDEOCJKOZXMHIH-WFASDCNBSA-N 2 0 355.404 3.154 20 0 FGADRP C[N@@H+]1CCC[C@@H](CNC(=O)Nc2cccc(C[NH3+])c2)[C@@H]1c1cccs1 ZINC000667727797 721165136 /nfs/dbraw/zinc/16/51/36/721165136.db2.gz JVKJDMVICURSEZ-MAUKXSAKSA-N 2 0 358.511 3.411 20 0 FGADRP CC(C)[NH2+][C@@H]1CCCN(C(=O)NC[C@@H](c2ccc(Cl)cc2)[NH+](C)C)C1 ZINC000673781513 721672239 /nfs/dbraw/zinc/67/22/39/721672239.db2.gz XSTSSDQERBMSEX-MSOLQXFVSA-N 2 0 366.937 3.115 20 0 FGADRP C[C@@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)c1ccc(F)cc1OC(F)F ZINC000675742738 721771886 /nfs/dbraw/zinc/77/18/86/721771886.db2.gz WKGVCYAHNPHQHA-CYBMUJFWSA-N 2 0 359.436 3.104 20 0 FGADRP C[NH+]1CCC(N2CC[C@H]([NH2+][C@@H]3CCCOc4ccc(Cl)cc43)C2)CC1 ZINC000675875684 721777237 /nfs/dbraw/zinc/77/72/37/721777237.db2.gz WOMYIGCDRGHRLW-QFBILLFUSA-N 2 0 363.933 3.312 20 0 FGADRP C[NH+](C)[C@H]1CCCN(C(F)(F)c2cnc(Cl)c(C3=CC[NH2+]CC3)c2)C1 ZINC001165037912 721899559 /nfs/dbraw/zinc/89/95/59/721899559.db2.gz NVDKZBUALKUMCM-HNNXBMFYSA-N 2 0 370.875 3.187 20 0 FGADRP C[C@@H]1C[C@@H]([NH2+]Cc2c(Cl)cccc2N2CC[NH+](C)CC2)C[C@H](C)O1 ZINC000678361329 721954725 /nfs/dbraw/zinc/95/47/25/721954725.db2.gz BMTNKKZPSATXQX-MUJYYYPQSA-N 2 0 351.922 3.137 20 0 FGADRP c1cn(-c2cc[nH+]c(N3CCC4(CC[N@@H+](Cc5cccnc5)C4)CC3)c2)cn1 ZINC001164964240 722023586 /nfs/dbraw/zinc/02/35/86/722023586.db2.gz VYCOXXNUNNMQPY-UHFFFAOYSA-N 2 0 374.492 3.155 20 0 FGADRP CC[NH+]1CCN(c2ccc(C[NH2+]Cc3ccc(SC)s3)cn2)CC1 ZINC000685613291 722394572 /nfs/dbraw/zinc/39/45/72/722394572.db2.gz LHXBIRWMFWCSTP-UHFFFAOYSA-N 2 0 362.568 3.297 20 0 FGADRP C[C@H]([NH2+][C@H]1CCC[C@H]([NH+](C)C)C1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000715554757 722415962 /nfs/dbraw/zinc/41/59/62/722415962.db2.gz YCEGUXKHFIMCEH-SZMVWBNQSA-N 2 0 353.551 3.484 20 0 FGADRP Cc1nc(C)c(C[NH2+]CCC2(O)CC[NH+](Cc3ccccc3)CC2)s1 ZINC000717905172 722417919 /nfs/dbraw/zinc/41/79/19/722417919.db2.gz CXHJFJKWNQJYBQ-UHFFFAOYSA-N 2 0 359.539 3.267 20 0 FGADRP CC1CC[NH+](C2CCC(NC(=S)NCC(C)(C)C[NH+](C)C)CC2)CC1 ZINC000752787266 722871438 /nfs/dbraw/zinc/87/14/38/722871438.db2.gz VVCBRTAYMFIBSH-UHFFFAOYSA-N 2 0 368.635 3.081 20 0 FGADRP CC(C)[C@@H](C[NH2+][C@H](C)c1cc(Cl)c(N)c(Cl)c1)N1CC[NH+](C)CC1 ZINC000760158576 723040549 /nfs/dbraw/zinc/04/05/49/723040549.db2.gz INVQJLOOULOBCW-CXAGYDPISA-N 2 0 373.372 3.498 20 0 FGADRP CN(CC1CC[NH+](CC[C@H]2CCCC[N@@H+]2C)CC1)C(=O)OC(C)(C)C ZINC000760835255 723096901 /nfs/dbraw/zinc/09/69/01/723096901.db2.gz LWCNDSUEFJUGDY-GOSISDBHSA-N 2 0 353.551 3.440 20 0 FGADRP C[C@@H](NC1CC([NH+]2CCCCC2)C1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000794836013 723548347 /nfs/dbraw/zinc/54/83/47/723548347.db2.gz LMJOOVMEQIYFHJ-IUDNXUCKSA-N 2 0 372.481 3.350 20 0 FGADRP C[N@H+](C[C@H]1CCCN(C(=O)OC(C)(C)C)C1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000796454713 723638468 /nfs/dbraw/zinc/63/84/68/723638468.db2.gz QZHHMFAAORYICJ-HRBLRVMOSA-N 2 0 351.535 3.191 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@H](O)c2ccc(Cl)c(F)c2)[C@H](C)C1 ZINC000773135265 723777441 /nfs/dbraw/zinc/77/74/41/723777441.db2.gz CEMVJKBMASJGOI-CCKFTAQKSA-N 2 0 372.912 3.239 20 0 FGADRP CCOC(=O)C(F)(F)[C@@H]1CCC[C@@H]([NH2+]CC2CC[NH+](C3CC3)CC2)C1 ZINC000774498218 723899957 /nfs/dbraw/zinc/89/99/57/723899957.db2.gz RRVYEEWSWDSKHE-HZPDHXFCSA-N 2 0 358.473 3.208 20 0 FGADRP Cc1cc(Br)cc(C[NH2+]CC2CC[NH+](CCN(C)C)CC2)c1 ZINC000774992667 723949426 /nfs/dbraw/zinc/94/94/26/723949426.db2.gz SKYHOKJUMRGEMT-UHFFFAOYSA-N 2 0 368.363 3.121 20 0 FGADRP COc1ccc([C@H](C)[NH2+][C@@H](C)CC[S@](C)=O)cc1C[NH+]1CCCCC1 ZINC000775416887 723989791 /nfs/dbraw/zinc/98/97/91/723989791.db2.gz ZLOMAQOHAJTBIG-TZPNTHKFSA-N 2 0 366.571 3.489 20 0 FGADRP CC(C)(C)OC(=O)N[C@@H]1CCCCC[C@H]1[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000788243141 725052471 /nfs/dbraw/zinc/05/24/71/725052471.db2.gz IYDVWTBEDWEQCU-KBAYOESNSA-N 2 0 351.535 3.286 20 0 FGADRP C[C@@H]([NH2+]CCC[N@H+]1C[C@H](C)C[C@H](C)C1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000788540395 725071662 /nfs/dbraw/zinc/07/16/62/725071662.db2.gz QPTCDZSQRDGIBA-IXDOHACOSA-N 2 0 353.551 3.199 20 0 FGADRP CC(C)CC[NH+]1CCC(C[NH2+]C2CC(NC(=O)OC(C)(C)C)C2)CC1 ZINC000809625260 725253495 /nfs/dbraw/zinc/25/34/95/725253495.db2.gz ABIMBSYXCBCORB-UHFFFAOYSA-N 2 0 353.551 3.390 20 0 FGADRP C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2CCN(C(=O)OC(C)(C)C)C(C)(C)C)C1 ZINC000809766935 725266651 /nfs/dbraw/zinc/26/66/51/725266651.db2.gz CIEIWYLYHJMCOH-IRXDYDNUSA-N 2 0 353.551 3.438 20 0 FGADRP CSC1(C[NH2+][C@H](C)c2ccc(N3CCCC3=O)cc2)CC[NH+](C)CC1 ZINC000810253012 725300015 /nfs/dbraw/zinc/30/00/15/725300015.db2.gz XPWZWTCLKUKVMA-MRXNPFEDSA-N 2 0 361.555 3.291 20 0 FGADRP CC(C)C[C@H](C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1)NC(=O)OC(C)(C)C ZINC000811468104 725367765 /nfs/dbraw/zinc/36/77/65/725367765.db2.gz ZSXNXBLDQPHHGY-RCCFBDPRSA-N 2 0 353.551 3.342 20 0 FGADRP CC(C)[C@H](C)[NH2+]C1CCC([NH+]2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000812744507 726807520 /nfs/dbraw/zinc/80/75/20/726807520.db2.gz HTZADWCPENYELD-AOCRQIFASA-N 2 0 353.551 3.484 20 0 FGADRP C[C@H]1C[C@H]1C[NH2+]C1CCC([NH+]2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000812801101 726813189 /nfs/dbraw/zinc/81/31/89/726813189.db2.gz DBJSKULCBPGEKH-VYMRPNJYSA-N 2 0 351.535 3.096 20 0 FGADRP C[NH+](C)C1CCC([NH2+]Cc2cnc(NC(=O)OC(C)(C)C)s2)CC1 ZINC000817413779 727249065 /nfs/dbraw/zinc/24/90/65/727249065.db2.gz INFFTCLUTWOPJE-UHFFFAOYSA-N 2 0 354.520 3.453 20 0 FGADRP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@@H](O)c2ccc(OC(F)(F)F)cc2)c2ccccc21 ZINC000817901086 727287399 /nfs/dbraw/zinc/28/73/99/727287399.db2.gz SHHZVPYJJDQVDK-BRWVUGGUSA-N 2 0 352.356 3.353 20 0 FGADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@@H](C)c1cccc(NS(C)(=O)=O)c1 ZINC000817906833 727287805 /nfs/dbraw/zinc/28/78/05/727287805.db2.gz IHLOVOOGENGNIG-HLLBOEOZSA-N 2 0 353.532 3.020 20 0 FGADRP CCC[NH+]1CCC(C[NH2+]C[C@H](O)c2cccc(Br)c2)CC1 ZINC000818989697 727335165 /nfs/dbraw/zinc/33/51/65/727335165.db2.gz BXQXOEVTDQOGHT-KRWDZBQOSA-N 2 0 355.320 3.194 20 0 FGADRP C[NH+](C)CC[C@@H]([NH2+]C[C@@H](O)c1ccccc1Br)C(C)(C)C ZINC000819082300 727345568 /nfs/dbraw/zinc/34/55/68/727345568.db2.gz PGXMZFHBUJDQTM-HZPDHXFCSA-N 2 0 357.336 3.439 20 0 FGADRP O[C@H](C[NH2+]C1CCC([NH+]2CCCCC2)CC1)COc1ccc(Cl)cc1 ZINC000819142033 727351948 /nfs/dbraw/zinc/35/19/48/727351948.db2.gz MEWSKUNJEJQQMC-CTWPCTMYSA-N 2 0 366.933 3.466 20 0 FGADRP C[NH+](C)CC1CCC([NH2+]C[C@@H](O)c2cccc(Br)c2)CC1 ZINC000819185405 727355851 /nfs/dbraw/zinc/35/58/51/727355851.db2.gz OHPIQQQSHCIIAD-QWFMPGPPSA-N 2 0 355.320 3.193 20 0 FGADRP C[C@@H](CC[NH2+]C[C@@H](O)c1cccc(Br)c1)[NH+]1CCCCC1 ZINC000819228407 727360056 /nfs/dbraw/zinc/36/00/56/727360056.db2.gz HGSFILDGEUFYRG-WMLDXEAASA-N 2 0 355.320 3.337 20 0 FGADRP CC(C)[C@H](CNC(=O)OC(C)(C)C)C[N@@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000823413907 729277709 /nfs/dbraw/zinc/27/77/09/729277709.db2.gz OAKHEWWDJPQBBO-HZPDHXFCSA-N 2 0 350.507 3.386 20 0 FGADRP CC(C)[C@@H](CNC(=O)OC(C)(C)C)C[N@@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000823413905 729277917 /nfs/dbraw/zinc/27/79/17/729277917.db2.gz OAKHEWWDJPQBBO-CVEARBPZSA-N 2 0 350.507 3.386 20 0 FGADRP C[C@@H]1C[C@H](C[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)CCN1C(=O)OC(C)(C)C ZINC000824292939 729329018 /nfs/dbraw/zinc/32/90/18/729329018.db2.gz WOLVWIVIEINHRA-KZNAEPCWSA-N 2 0 353.551 3.438 20 0 FGADRP C[NH+](C)CCCC(C)(C)[NH2+]Cc1nc2ccccn2c1Br ZINC000824914744 729365011 /nfs/dbraw/zinc/36/50/11/729365011.db2.gz XYKLKTFPADOGFX-UHFFFAOYSA-N 2 0 353.308 3.307 20 0 FGADRP CCC[NH2+][C@@H](C)C(=O)Nc1ccc(N2CC[NH+](CCC)CC2)c(Cl)c1 ZINC000827617056 729432359 /nfs/dbraw/zinc/43/23/59/729432359.db2.gz BEFYQNQVODXOJK-HNNXBMFYSA-N 2 0 366.937 3.199 20 0 FGADRP CC[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000834513347 729808886 /nfs/dbraw/zinc/80/88/86/729808886.db2.gz KYBYIXLCGXZHLA-XLAORIBOSA-N 2 0 351.535 3.381 20 0 FGADRP CC[C@@H]([NH2+]CCC1CC[NH+](C)CC1)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000834567095 729814956 /nfs/dbraw/zinc/81/49/56/729814956.db2.gz YBUORVHGRZTIRV-MSOLQXFVSA-N 2 0 353.551 3.486 20 0 FGADRP CC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000834895102 729844763 /nfs/dbraw/zinc/84/47/63/729844763.db2.gz YRKVBFWIFCJFOY-OOHRUWKFSA-N 2 0 351.535 3.379 20 0 FGADRP C[C@H]1C[C@H](C[NH2+]CCCC[N@H+](C)C2CC2)CCN1C(=O)OC(C)(C)C ZINC000835063121 729854572 /nfs/dbraw/zinc/85/45/72/729854572.db2.gz HJNGQSZXNCYIEM-DLBZAZTESA-N 2 0 353.551 3.486 20 0 FGADRP C[C@@H]([NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1)c1ccnc(Cl)c1 ZINC000840883553 730187769 /nfs/dbraw/zinc/18/77/69/730187769.db2.gz FRQGKVZIMPCZNH-MRXNPFEDSA-N 2 0 359.901 3.413 20 0 FGADRP Fc1ccc([C@@H]2CC[NH2+]C[C@@H]2C[NH2+][C@@H]2CC[C@@H]3SCCS[C@H]23)cc1 ZINC000841075629 730208023 /nfs/dbraw/zinc/20/80/23/730208023.db2.gz TVECFNMVPSAALQ-LZBKUMLDSA-N 2 0 366.571 3.488 20 0 FGADRP Brc1ccc2nc(C[NH2+][C@H]3CC34CC[NH2+]CC4)sc2c1 ZINC000841078721 730208402 /nfs/dbraw/zinc/20/84/02/730208402.db2.gz JCPSBUNNVLQWSG-ZDUSSCGKSA-N 2 0 352.301 3.291 20 0 FGADRP FC(F)Sc1ccc(C[NH2+]C2CCC([NH+]3CCNCC3)CC2)cc1 ZINC000841087630 730209354 /nfs/dbraw/zinc/20/93/54/730209354.db2.gz OJLJXZKJELCMDM-UHFFFAOYSA-N 2 0 355.498 3.307 20 0 FGADRP CCCCn1nc(C)c(C[NH+]2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)c1Cl ZINC000841100370 730211490 /nfs/dbraw/zinc/21/14/90/730211490.db2.gz WNIOJXLEXRNJCY-ZWKOTPCHSA-N 2 0 368.953 3.363 20 0 FGADRP C[N@H+](Cc1cn(-c2cccc(Cl)c2Cl)nn1)C1CCC([NH3+])CC1 ZINC000843054754 730574616 /nfs/dbraw/zinc/57/46/16/730574616.db2.gz GEPDBMXGEOXXQF-UHFFFAOYSA-N 2 0 354.285 3.276 20 0 FGADRP C[N@H+](Cc1cnn(-c2ccc(Br)cc2)c1)C1CCC([NH3+])CC1 ZINC000843055839 730574738 /nfs/dbraw/zinc/57/47/38/730574738.db2.gz QCFSJZDTKUUVPV-UHFFFAOYSA-N 2 0 363.303 3.337 20 0 FGADRP C[C@H]1C[C@@H]([NH2+]C2CC[NH+](CC3CC3)CC2)CN(C(=O)OC(C)(C)C)C1 ZINC000843398373 730614452 /nfs/dbraw/zinc/61/44/52/730614452.db2.gz IBWKPPQAEBDXLF-MAUKXSAKSA-N 2 0 351.535 3.096 20 0 FGADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H](c1ccc(F)cc1)C1CCOCC1 ZINC000883196428 737534992 /nfs/dbraw/zinc/53/49/92/737534992.db2.gz PFHGACSMFWPIFM-PMACEKPBSA-N 2 0 352.494 3.240 20 0 FGADRP CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]([NH2+]C2CC[NH+](C3CCC3)CC2)C1 ZINC000848526453 731175244 /nfs/dbraw/zinc/17/52/44/731175244.db2.gz XTLVXGVUFNAWSO-DLBZAZTESA-N 2 0 351.535 3.429 20 0 FGADRP CC(C)(C)OC(=O)N[C@H]1CCC[C@H]([NH2+]C2CC([NH+]3CCCCC3)C2)C1 ZINC000848549938 731179817 /nfs/dbraw/zinc/17/98/17/731179817.db2.gz YBMMCHQIPRNCRC-VYMRPNJYSA-N 2 0 351.535 3.429 20 0 FGADRP CSC1(C[NH2+][C@@H]2CCC[C@H](NC(=O)OC(C)(C)C)C2)CC[NH+](C)CC1 ZINC000848551144 731180141 /nfs/dbraw/zinc/18/01/41/731180141.db2.gz FCKDCKAEYOQQQV-CVEARBPZSA-N 2 0 371.591 3.239 20 0 FGADRP C[C@H](NC(=[NH2+])NC[C@H]1CCC[N@@H+]1CCCO)c1ccc(Cl)cc1Cl ZINC000849112949 731230643 /nfs/dbraw/zinc/23/06/43/731230643.db2.gz GFVIXMXNALNWEA-GXTWGEPZSA-N 2 0 373.328 3.015 20 0 FGADRP COc1ccc(Cl)cc1C[NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000850357194 731348204 /nfs/dbraw/zinc/34/82/04/731348204.db2.gz AKSGGQBCFYCIRN-IBGZPJMESA-N 2 0 360.885 3.205 20 0 FGADRP CCOC(=O)C(F)(F)[C@H]1CC[C@@H]([NH2+]CC2CC[NH+](CC3CC3)CC2)C1 ZINC000850580755 731375892 /nfs/dbraw/zinc/37/58/92/731375892.db2.gz AWWBMMDSLCYIRO-DLBZAZTESA-N 2 0 358.473 3.065 20 0 FGADRP CC(C)(C)OC(=O)N1CCC[C@@H]([NH2+]CC2CC[NH+](CC3CC3)CC2)C1 ZINC000850584391 731376310 /nfs/dbraw/zinc/37/63/10/731376310.db2.gz RFSIKINHGBAEDG-GOSISDBHSA-N 2 0 351.535 3.098 20 0 FGADRP CC(C)(C)OC(=O)N1CCC[C@H]([NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)C1 ZINC000853084554 731662170 /nfs/dbraw/zinc/66/21/70/731662170.db2.gz QWXWFSAGZUIWDP-ROUUACIJSA-N 2 0 351.535 3.098 20 0 FGADRP CC[N@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3sccc3OC)C2)ccn1 ZINC000856553986 732038421 /nfs/dbraw/zinc/03/84/21/732038421.db2.gz ZIFIDJAUPNFDJG-KRWDZBQOSA-N 2 0 361.511 3.257 20 0 FGADRP CC[C@@H]1[C@@H]([NH2+]C2CC[NH+](CC3CC3)CC2)CCN1C(=O)OC(C)(C)C ZINC000858500532 732220905 /nfs/dbraw/zinc/22/09/05/732220905.db2.gz IJMUZIFATNKZCW-ZWKOTPCHSA-N 2 0 351.535 3.238 20 0 FGADRP CC(C)(C)c1nn(-c2ccccc2)c(Cl)c1C[NH2+]CCOCCC[NH3+] ZINC000863650537 732990471 /nfs/dbraw/zinc/99/04/71/732990471.db2.gz UXZLWNIDLKVXPP-UHFFFAOYSA-N 2 0 364.921 3.278 20 0 FGADRP CC(C)(C)OC(=O)N[C@H](C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)CC(F)(F)F ZINC000865416500 733195126 /nfs/dbraw/zinc/19/51/26/733195126.db2.gz AJKFDRVIWUGFKX-IHRRRGAJSA-N 2 0 365.440 3.049 20 0 FGADRP Cc1ccnc(C[NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1Br ZINC000865471849 733208033 /nfs/dbraw/zinc/20/80/33/733208033.db2.gz SMYSFXCPBPNGDX-GASCZTMLSA-N 2 0 370.335 3.132 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNCc1ncc(CN(C)C)s1 ZINC000865659615 733247910 /nfs/dbraw/zinc/24/79/10/733247910.db2.gz DLMHAROIUANOQN-AEFFLSMTSA-N 2 0 358.555 3.062 20 0 FGADRP C[NH+]1CCC(C[NH2+][C@H]2CCO[C@H](C(F)(F)F)C2)(c2ccccc2)CC1 ZINC000865774710 733266892 /nfs/dbraw/zinc/26/68/92/733266892.db2.gz LHZUAJSLBBDENU-IRXDYDNUSA-N 2 0 356.432 3.350 20 0 FGADRP CC(C)[NH+]1CCC(CC[NH2+][C@@H](C)c2ccc(S(C)(=O)=O)c(F)c2)CC1 ZINC000866467833 733354019 /nfs/dbraw/zinc/35/40/19/733354019.db2.gz ROUFBZMJLUIXHQ-HNNXBMFYSA-N 2 0 370.534 3.390 20 0 FGADRP C[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CC[C@@H]([NH3+])CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000870911030 733901572 /nfs/dbraw/zinc/90/15/72/733901572.db2.gz PYUJYBWPUIILRG-FRQROOTJSA-N 2 0 367.896 3.106 20 0 FGADRP C[C@H](CC(=O)Nc1cccnc1Cl)[NH2+]CC[C@@H]([NH3+])Cc1ccccc1 ZINC000873235930 735741857 /nfs/dbraw/zinc/74/18/57/735741857.db2.gz UYAZAKZNZFXHAI-GDBMZVCRSA-N 2 0 360.889 3.002 20 0 FGADRP C[NH+](C)CCN(Cc1ccsc1)C(=O)NC1CCC(C)([NH+](C)C)CC1 ZINC000876109574 736060349 /nfs/dbraw/zinc/06/03/49/736060349.db2.gz PPZWGKDINVHCDE-UHFFFAOYSA-N 2 0 366.575 3.084 20 0 FGADRP CC(C)[NH+]1CCC(N(C)C(=O)[C@@H]([NH3+])c2cccc(C(F)(F)F)c2)CC1 ZINC000876718264 736135758 /nfs/dbraw/zinc/13/57/58/736135758.db2.gz QWBYCIXSXPPDQA-INIZCTEOSA-N 2 0 357.420 3.036 20 0 FGADRP C[N@H+](CCCN1CC[NH+](C)CC1)Cc1cc2nc(Cl)ccc2s1 ZINC000877527645 736679218 /nfs/dbraw/zinc/67/92/18/736679218.db2.gz UHOLLHWEVCQTTR-UHFFFAOYSA-N 2 0 352.935 3.019 20 0 FGADRP C[N@@H+]1CCC[C@H](CC[NH2+][C@@H]2C[C@H]3C[C@@H](C2)N(C(=O)OC(C)(C)C)C3)C1 ZINC000877584491 736688437 /nfs/dbraw/zinc/68/84/37/736688437.db2.gz GFXIWMUYEVIQRJ-XDNAFOTISA-N 2 0 351.535 3.096 20 0 FGADRP COc1cc(C[N@H+](CC(C)C)CC2CC[NH+](C)CC2)cc(OC)c1O ZINC000877767215 736717272 /nfs/dbraw/zinc/71/72/72/736717272.db2.gz CINYMGZYNRLABP-UHFFFAOYSA-N 2 0 350.503 3.209 20 0 FGADRP C[N@@H+]1CC[C@@H]2CN(CCC(=O)Nc3ccccc3C(F)(F)F)CC[C@H]21 ZINC000879576353 737009896 /nfs/dbraw/zinc/00/98/96/737009896.db2.gz BSPOAZGGLSWFLB-CZUORRHYSA-N 2 0 355.404 3.060 20 0 FGADRP CC(C)(C)OC(=O)N1CCC[C@@H](C[NH+]2CCC(C)([NH+]3CCC3)CC2)C1 ZINC000880472945 737178201 /nfs/dbraw/zinc/17/82/01/737178201.db2.gz JPQOCBMAOKOKGO-KRWDZBQOSA-N 2 0 351.535 3.194 20 0 FGADRP O[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@@H]2CCOC3(CCCCC3)C2)CC1 ZINC000886026260 739209796 /nfs/dbraw/zinc/20/97/96/739209796.db2.gz RTVMUTOQJPDSDJ-HSALFYBXSA-N 2 0 350.547 3.226 20 0 FGADRP CN(CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2)CC(F)(F)F ZINC000886525875 739264730 /nfs/dbraw/zinc/26/47/30/739264730.db2.gz ADRBOQWBAYLYTP-BZSNNMDCSA-N 2 0 355.448 3.123 20 0 FGADRP C(CC[NH+]1CC[C@@H]([C@H]2CCCO2)C1)CC[N@@H+]1CC[C@H]([C@@H]2CCCO2)C1 ZINC000886821423 739305928 /nfs/dbraw/zinc/30/59/28/739305928.db2.gz BXNWIMKDBQGJDK-FXELSEDVSA-N 2 0 350.547 3.159 20 0 FGADRP C(CC[NH+]1CC[C@H]([C@@H]2CCCO2)C1)CC[N@@H+]1CC[C@H]([C@H]2CCCO2)C1 ZINC000886821426 739306122 /nfs/dbraw/zinc/30/61/22/739306122.db2.gz BXNWIMKDBQGJDK-XSDIEEQYSA-N 2 0 350.547 3.159 20 0 FGADRP CC(C)(C)[NH+]1CCC(NC(=O)N(CC[NH3+])Cc2cccc(Cl)c2)CC1 ZINC000891393675 739899784 /nfs/dbraw/zinc/89/97/84/739899784.db2.gz BKGDKHOTJFFKCH-UHFFFAOYSA-N 2 0 366.937 3.073 20 0 FGADRP C[N@@H+]1CCC[C@H](CNC(=O)N2CCCCC[C@H]([NH3+])C2)[C@H]1c1cccs1 ZINC000891596624 739919465 /nfs/dbraw/zinc/91/94/65/739919465.db2.gz DOUVYEREMGIGHH-RYRKJORJSA-N 2 0 364.559 3.044 20 0 FGADRP CC(C)[N@H+](C)Cc1ccccc1C[NH2+][C@H]1CCC2(C[C@@H]1F)OCCO2 ZINC000893328280 742140937 /nfs/dbraw/zinc/14/09/37/742140937.db2.gz WPJQOLHVXQOXLA-OALUTQOASA-N 2 0 350.478 3.250 20 0 FGADRP CCN1CC[NH+](CCCC[NH2+]Cc2cc3ccnc(Cl)c3s2)CC1 ZINC000894174357 742248967 /nfs/dbraw/zinc/24/89/67/742248967.db2.gz RPDWWTVTXWCFFV-UHFFFAOYSA-N 2 0 366.962 3.457 20 0 FGADRP C[N@H+](Cc1ccc(C(F)F)c(F)c1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000894458967 742285909 /nfs/dbraw/zinc/28/59/09/742285909.db2.gz CALNTIGCFZWPGO-INIZCTEOSA-N 2 0 355.448 3.364 20 0 FGADRP C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CC[C@H]3CCCC[NH+]32)[C@@H]1c1cccs1 ZINC000900829727 743180322 /nfs/dbraw/zinc/18/03/22/743180322.db2.gz XNKVZTWGDCHEMD-VXIBKDFQSA-N 2 0 361.555 3.264 20 0 FGADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H](c1ccccc1F)C1CCOCC1 ZINC000903111169 743805779 /nfs/dbraw/zinc/80/57/79/743805779.db2.gz USZKABMCICJUGT-PXNSSMCTSA-N 2 0 352.494 3.240 20 0 FGADRP C[N@@H+](Cc1csc(Br)c1)C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903722744 743879412 /nfs/dbraw/zinc/87/94/12/743879412.db2.gz OJGGRBKILVJOKG-CYBMUJFWSA-N 2 0 359.333 3.101 20 0 FGADRP Cc1cccc(C[N@@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)c1Br ZINC000903765134 743881594 /nfs/dbraw/zinc/88/15/94/743881594.db2.gz YPVWKDFUVIROFO-USXIJHARSA-N 2 0 367.331 3.476 20 0 FGADRP [NH3+][C@@H]1CCO[C@@H](C2CC[NH+](CCOc3ccc(F)c(Cl)c3)CC2)C1 ZINC000903761339 743881700 /nfs/dbraw/zinc/88/17/00/743881700.db2.gz QDKAYYPLMBLXFG-RDTXWAMCSA-N 2 0 356.869 3.076 20 0 FGADRP O=C(c1ccccc1Cl)C1CC[NH+](C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)CC1 ZINC000903832961 743886945 /nfs/dbraw/zinc/88/69/45/743886945.db2.gz ULECMVQXEWDSFH-OXJNMPFZSA-N 2 0 362.901 3.003 20 0 FGADRP COc1cc(C[NH2+]CCC(C)(C)[NH3+])cc(Br)c1OC(F)F ZINC000903939380 743901075 /nfs/dbraw/zinc/90/10/75/743901075.db2.gz YWEDUALAFVIEQR-UHFFFAOYSA-N 2 0 367.234 3.276 20 0 FGADRP C[C@](O)(C[NH2+]C1CCC([NH+]2CCCCC2)CC1)C(F)(F)C(F)(F)F ZINC000905152998 743996208 /nfs/dbraw/zinc/99/62/08/743996208.db2.gz GSOWMLZHBZLNNG-RUXDESIVSA-N 2 0 358.395 3.322 20 0 FGADRP C[C@H]1C[N@H+](CCC[NH2+]C[C@H](O)c2ccc(Cl)c(Cl)c2)CCCO1 ZINC000905230600 744004390 /nfs/dbraw/zinc/00/43/90/744004390.db2.gz GHUJHLMNGVXHTK-GUYCJALGSA-N 2 0 361.313 3.117 20 0 FGADRP C[C@@H]1C[N@H+](CCC[NH2+]C[C@H](O)c2ccc(Cl)c(Cl)c2)CCCO1 ZINC000905230599 744004456 /nfs/dbraw/zinc/00/44/56/744004456.db2.gz GHUJHLMNGVXHTK-DYVFJYSZSA-N 2 0 361.313 3.117 20 0 FGADRP COCC[N@H+](C)CCC[NH2+]Cc1c(-c2ccccc2)nc2sccn12 ZINC000915256718 757909094 /nfs/dbraw/zinc/90/90/94/757909094.db2.gz FHSFYMQYMYAPBB-UHFFFAOYSA-N 2 0 358.511 3.121 20 0 FGADRP CC1CC[NH+](C2CCC([NH2+]Cc3nc(Br)c[nH]3)CC2)CC1 ZINC000921930715 758821182 /nfs/dbraw/zinc/82/11/82/758821182.db2.gz PFAQSYNHHVYPBE-UHFFFAOYSA-N 2 0 355.324 3.305 20 0 FGADRP CC(C)(C)OC(=O)NC[C@H]1CC[C@@H]([NH2+]C2CC([NH+]3CCCCC3)C2)C1 ZINC000922081415 758847686 /nfs/dbraw/zinc/84/76/86/758847686.db2.gz OQNHZMCZJRYAER-KNXWPPODSA-N 2 0 351.535 3.286 20 0 FGADRP CC(C)[C@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1ccc(Br)cc1)C2 ZINC000922388387 758910342 /nfs/dbraw/zinc/91/03/42/758910342.db2.gz PLGQKSVZMGDBQC-TVFCKZIOSA-N 2 0 367.331 3.018 20 0 FGADRP CC(C)[C@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1cnc(C3CCCC3)s1)C2 ZINC000922388221 758910353 /nfs/dbraw/zinc/91/03/53/758910353.db2.gz NOGKSPHJYYJBDP-MLYOOKFZSA-N 2 0 363.571 3.370 20 0 FGADRP CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1cnc(C(C)(C)C)s1)C2 ZINC000922388526 758910706 /nfs/dbraw/zinc/91/07/06/758910706.db2.gz QUNZSDBPCSPEPW-JEWRLFTDSA-N 2 0 351.560 3.010 20 0 FGADRP CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]Cc3ncc(C(C)(C)C)s3)C2)[C@@H]1C(C)C ZINC000922392352 758912439 /nfs/dbraw/zinc/91/24/39/758912439.db2.gz DCBKLCQZQBCAEQ-DZJHOTPTSA-N 2 0 365.587 3.400 20 0 FGADRP CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]Cc3ncc(C(C)C)s3)C2)[C@H]1C(C)C ZINC000922395654 758914830 /nfs/dbraw/zinc/91/48/30/758914830.db2.gz YBWSTJUWAGNGTP-OHDICMOHSA-N 2 0 351.560 3.226 20 0 FGADRP CC(C)(C)OC(=O)N1CCC([NH2+]C2CCC(C)([NH+]3CCC3)CC2)CC1 ZINC000922846267 759014671 /nfs/dbraw/zinc/01/46/71/759014671.db2.gz ATPVETNGCDJFQB-UHFFFAOYSA-N 2 0 351.535 3.383 20 0 FGADRP Clc1ccc(SC2CC[NH+](C[C@@H]3CC4(C[NH2+]C4)CO3)CC2)cc1 ZINC000923371112 759107102 /nfs/dbraw/zinc/10/71/02/759107102.db2.gz PBDBPAOFVCWSJZ-HNNXBMFYSA-N 2 0 352.931 3.275 20 0 FGADRP Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)[NH2+][C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923376465 759107751 /nfs/dbraw/zinc/10/77/51/759107751.db2.gz AZHRAHHBVPEHEU-BCZWGYKPSA-N 2 0 351.903 3.273 20 0 FGADRP C[NH+]1CCN(CCC[NH2+][C@@H](c2ccc(Cl)cc2)c2ccccn2)CC1 ZINC000924578267 759356903 /nfs/dbraw/zinc/35/69/03/759356903.db2.gz MWUJXPQKQRIXMG-FQEVSTJZSA-N 2 0 358.917 3.052 20 0 FGADRP CC[NH+](CC)[C@@H](CNC1C[C@H]2CC[C@@H](C1)[N@H+]2CCOC)c1ccsc1 ZINC000924657570 759369054 /nfs/dbraw/zinc/36/90/54/759369054.db2.gz HYEMOMGDNHUTKX-NXEWRWPSSA-N 2 0 365.587 3.362 20 0 FGADRP C[C@H]1CCC[N@H+](CCCC[NH2+]C2CC(CNC(=O)OC(C)(C)C)C2)C1 ZINC000924688996 759372559 /nfs/dbraw/zinc/37/25/59/759372559.db2.gz WDVIETMTJWTWRQ-AOCRQIFASA-N 2 0 353.551 3.391 20 0 FGADRP C[C@H]([NH2+]Cc1ccc(CS(C)(=O)=O)cc1)c1cccc(C[NH+](C)C)c1 ZINC000924723418 759376776 /nfs/dbraw/zinc/37/67/76/759376776.db2.gz YKTZPACLCFYKPS-INIZCTEOSA-N 2 0 360.523 3.144 20 0 FGADRP C[C@@H]1[C@H]2CC[C@@H](C[C@H]1[NH2+][C@H]1CCN(c3ccc(Br)cc3)C1)[NH2+]2 ZINC000925476596 759494455 /nfs/dbraw/zinc/49/44/55/759494455.db2.gz HIWITYGNVXSWAA-QLKQHDGRSA-N 2 0 364.331 3.146 20 0 FGADRP C[N@@H+]1CC[C@H](CN[C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000925629979 759514690 /nfs/dbraw/zinc/51/46/90/759514690.db2.gz OROLMPQRIGRQHK-JVAXSNDZSA-N 2 0 363.908 3.058 20 0 FGADRP Cc1ccc([C@@H](NCCC(C)(C)[NH3+])c2cccc(S(C)(=O)=O)c2)cc1 ZINC000925742182 759528379 /nfs/dbraw/zinc/52/83/79/759528379.db2.gz QAPNPMUBDVHNRV-LJQANCHMSA-N 2 0 360.523 3.205 20 0 FGADRP [NH3+][C@H]1C[C@H]2COC[C@@H](C1)[C@@H]2[NH2+]Cc1cc2cc(Br)ccc2o1 ZINC000925760503 759533332 /nfs/dbraw/zinc/53/33/32/759533332.db2.gz XCPJYWQJPNIHMA-DWWYIXAYSA-N 2 0 365.271 3.037 20 0 FGADRP C[C@H]([NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ccccc1C(F)(F)F ZINC000925858197 759561481 /nfs/dbraw/zinc/56/14/81/759561481.db2.gz UGSHVUZBRTYEIK-STQMWFEESA-N 2 0 356.388 3.041 20 0 FGADRP [NH3+][C@@H]1CC[C@H](CNC(=O)Nc2ccc(SCC[NH+]3CCCC3)cc2)C1 ZINC000926172746 759668354 /nfs/dbraw/zinc/66/83/54/759668354.db2.gz XNZGAGDSOOVGJN-JKSUJKDBSA-N 2 0 362.543 3.123 20 0 FGADRP CCS(=O)(=O)c1ccc(C[NH2+][C@@H](C)c2cccc(C[NH+](C)C)c2)s1 ZINC000926325807 759716907 /nfs/dbraw/zinc/71/69/07/759716907.db2.gz NMTKPINNHMHIEI-AWEZNQCLSA-N 2 0 366.552 3.454 20 0 FGADRP C[C@H]([NH2+]C1CCC(C)([NH+]2CCC2)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000927037689 759879791 /nfs/dbraw/zinc/87/97/91/759879791.db2.gz KHSIARFQQVIISQ-DMKPSLHHSA-N 2 0 350.528 3.148 20 0 FGADRP C[N@@H+]1CC[C@H]([NH2+][C@@H]2C[C@H](OC(C)(C)C)C23CCOCC3)[C@@H]2CCC[C@@H]21 ZINC000927161228 759910507 /nfs/dbraw/zinc/91/05/07/759910507.db2.gz GNFWXBZLUZAEHX-FKSLSLAPSA-N 2 0 350.547 3.202 20 0 FGADRP CC[N@@H+]1CC[C@@H]([NH+](C)C[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)C2)C[C@H]1C ZINC000929780131 760456137 /nfs/dbraw/zinc/45/61/37/760456137.db2.gz KWIIAYZBRGLAOJ-ZJPYXAASSA-N 2 0 353.551 3.484 20 0 FGADRP CCC[N@H+](CCc1ccns1)C1CCN(c2cc(C)nc(C)n2)CC1 ZINC000929982640 760506051 /nfs/dbraw/zinc/50/60/51/760506051.db2.gz QGMQFYVWRSTCOT-UHFFFAOYSA-N 2 0 359.543 3.473 20 0 FGADRP COCC[N@H+](C[C@@H]1[C@@H](c2ccccc2)C1(F)F)CC1CC[NH+](C)CC1 ZINC000931381179 760848201 /nfs/dbraw/zinc/84/82/01/760848201.db2.gz TZWZUSRXOOOBJZ-RTBURBONSA-N 2 0 352.469 3.326 20 0 FGADRP C[C@@H]1[C@H](C(=O)N2CCC([NH+](C)Cc3ccc(Cl)s3)CC2)CC[N@@H+]1C ZINC000985439733 763929207 /nfs/dbraw/zinc/92/92/07/763929207.db2.gz YIFKUYBCQRKTLC-CZUORRHYSA-N 2 0 369.962 3.165 20 0 FGADRP Cc1cc(C[NH+]2CC[C@]3(NC(=O)[C@@H]4CC[N@H+](C)[C@@H]4C)CCC[C@@H]23)cs1 ZINC000990790129 764562950 /nfs/dbraw/zinc/56/29/50/764562950.db2.gz KOTYBROTKRPOLF-DLVXIWMQSA-N 2 0 361.555 3.010 20 0 FGADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3c(C)cccc3Cl)C2)CC[N@@H+]1C ZINC001022109723 765974302 /nfs/dbraw/zinc/97/43/02/765974302.db2.gz SIIVUJINPWDHDS-CYJAXWMASA-N 2 0 363.933 3.116 20 0 FGADRP Cc1cccc(Cl)c1C[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001027895352 766105377 /nfs/dbraw/zinc/10/53/77/766105377.db2.gz WANHLPMRVHKMLJ-BRWVUGGUSA-N 2 0 363.933 3.069 20 0 FGADRP C[C@@H]1[C@H](C(=O)N[C@H]2CC[C@H]([NH2+]Cc3ccc(Cl)cc3)CC2)CC[N@@H+]1C ZINC001034647883 766243305 /nfs/dbraw/zinc/24/33/05/766243305.db2.gz RNMUJPCUCODMTE-UTRMSSBJSA-N 2 0 363.933 3.197 20 0 FGADRP Cc1nn(C(C)(C)C)c(C)c1C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000359865902 223133090 /nfs/dbraw/zinc/13/30/90/223133090.db2.gz FAQNSAIXHWARGW-UHFFFAOYSA-N 2 0 362.562 3.189 20 0 FGADRP Cc1ccc([C@@H](CNC(=O)NCCC[N@H+]2CCCC[C@@H]2C)[NH+](C)C)cc1 ZINC000072041960 221398918 /nfs/dbraw/zinc/39/89/18/221398918.db2.gz WEHOWYIRNVFVBS-AZUAARDMSA-N 2 0 360.546 3.161 20 0 FGADRP COc1ccc2c(c1)C[C@H]([NH2+]C1CCN([C@@H](C)c3ccncc3)CC1)CO2 ZINC000297144799 257383033 /nfs/dbraw/zinc/38/30/33/257383033.db2.gz ZQSZDECXWVNLPE-JXFKEZNVSA-N 2 0 367.493 3.209 20 0 FGADRP C[C@H]([NH2+][C@H](CC(N)=O)c1ccccc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000293555307 257380357 /nfs/dbraw/zinc/38/03/57/257380357.db2.gz FLQSRXSSCODFFR-IOMROCGXSA-N 2 0 351.494 3.103 20 0 FGADRP CC(C)(CNC(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1)[NH+]1CCCCC1 ZINC000097357631 222175647 /nfs/dbraw/zinc/17/56/47/222175647.db2.gz QYXBJRNGPZAUPW-FQEVSTJZSA-N 2 0 372.557 3.387 20 0 FGADRP COc1ccc2c(c1)[C@H]([NH2+]C1CC[NH+]([C@@H]3CCCC[C@@H]3O)CC1)CCC2 ZINC000536849908 503740347 /nfs/dbraw/zinc/74/03/47/503740347.db2.gz FKFFMKDCSFWSPH-VSKRKVRLSA-N 2 0 358.526 3.430 20 0 FGADRP COc1cccc([C@@H](C)[NH+]2CCN(C[C@@H](C[NH3+])c3ccc(F)cc3)CC2)c1 ZINC000579598250 505583699 /nfs/dbraw/zinc/58/36/99/505583699.db2.gz WNMJQLRSXVXASK-YLJYHZDGSA-N 2 0 371.500 3.255 20 0 FGADRP C[C@H](CC(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1)C1CC[NH2+]CC1 ZINC000567980255 505588361 /nfs/dbraw/zinc/58/83/61/505588361.db2.gz VYDJMBGWZCTWIR-GOSISDBHSA-N 2 0 372.557 3.172 20 0 FGADRP C[NH2+]CCc1ccccc1C(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000567983132 505589877 /nfs/dbraw/zinc/58/98/77/505589877.db2.gz QXBFAJIOJDZQPR-YLJYHZDGSA-N 2 0 371.550 3.323 20 0 FGADRP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)Cn2c3ccccc3c3ccccc32)CC[N@@H+]1C ZINC000573676192 505594557 /nfs/dbraw/zinc/59/45/57/505594557.db2.gz BHQTXIRREGBCIC-KZNAEPCWSA-N 2 0 351.494 3.228 20 0 FGADRP C[C@H]1CCC[C@@H]([NH+]2CCC([NH2+]Cc3ccc(Cn4cncn4)cc3)CC2)C1 ZINC000579631465 505590317 /nfs/dbraw/zinc/59/03/17/505590317.db2.gz ZRDJFIPFJRFGEC-PGRDOPGGSA-N 2 0 367.541 3.459 20 0 FGADRP CC1CC[NH+](CCc2cccc(NC(=O)N3CC[C@](C)(C[NH3+])C3)c2)CC1 ZINC000573816968 505628189 /nfs/dbraw/zinc/62/81/89/505628189.db2.gz QQWDGECQQHRUHC-OAQYLSRUSA-N 2 0 358.530 3.164 20 0 FGADRP CC(C)([NH3+])c1nocc1C(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000568233015 505649096 /nfs/dbraw/zinc/64/90/96/505649096.db2.gz AVMXDCLFJGIRQN-UHFFFAOYSA-N 2 0 370.497 3.174 20 0 FGADRP CCC1(CNC(=O)N2CCC[C@@H](C[NH3+])C2)CC[NH+](Cc2ccccc2)CC1 ZINC000568232919 505649132 /nfs/dbraw/zinc/64/91/32/505649132.db2.gz RGRITMSQSQWQBP-FQEVSTJZSA-N 2 0 372.557 3.059 20 0 FGADRP CN1CC[NH+](CC2CC[NH+](Cc3ccccc3OC3CCCC3)CC2)CC1 ZINC000574002310 505670211 /nfs/dbraw/zinc/67/02/11/505670211.db2.gz BCUHJLAYFKKQBO-UHFFFAOYSA-N 2 0 371.569 3.467 20 0 FGADRP CCC[C@H](NC(=O)[C@@H](C)[NH+]1CCC([C@H]2CC[NH2+]C2)CC1)c1ccccc1 ZINC000571166077 505670187 /nfs/dbraw/zinc/67/01/87/505670187.db2.gz ROXLNRSMMDNSNQ-QMMLZNLJSA-N 2 0 357.542 3.354 20 0 FGADRP Cc1ccccc1NC(=O)Cc1nc(CN2CC[C@@H](C)[C@@H](C[NH3+])C2)cs1 ZINC000580080243 505674017 /nfs/dbraw/zinc/67/40/17/505674017.db2.gz AJCFVFOXMAAXCV-ZBFHGGJFSA-N 2 0 372.538 3.049 20 0 FGADRP CC[C@H](CNC(=O)C1CC[NH+](C(C)C)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000081248600 493852200 /nfs/dbraw/zinc/85/22/00/493852200.db2.gz AIXBBAOUMJSIIU-OAQYLSRUSA-N 2 0 357.542 3.060 20 0 FGADRP Cc1ccccc1-c1cnc(C[NH+]2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)o1 ZINC000574088881 505691071 /nfs/dbraw/zinc/69/10/71/505691071.db2.gz JQRDLKKBCPHSNB-IEBWSBKVSA-N 2 0 355.482 3.368 20 0 FGADRP O=C(C[N@H+](CCc1ccccc1)C1CCCC1)NC1CC[NH+](C2CC2)CC1 ZINC000069521060 493980129 /nfs/dbraw/zinc/98/01/29/493980129.db2.gz WXQCCZFCQQMYNA-UHFFFAOYSA-N 2 0 369.553 3.217 20 0 FGADRP CC[NH+]1CCC(C[NH2+]Cc2cc(OC)ccc2OCc2ccccn2)CC1 ZINC000577237954 505692567 /nfs/dbraw/zinc/69/25/67/505692567.db2.gz OGGGNIJRYZXMTK-UHFFFAOYSA-N 2 0 369.509 3.491 20 0 FGADRP C[C@@H]1C[NH+](CCC2CC[NH+](Cc3ccc4c(n3)CCC4)CC2)C[C@@H](C)O1 ZINC000580165089 505693089 /nfs/dbraw/zinc/69/30/89/505693089.db2.gz VMVJBIUHJKPFFD-QZTJIDSGSA-N 2 0 357.542 3.282 20 0 FGADRP C[C@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+]CC1(C)CC[NH2+]CC1 ZINC000580168617 505694463 /nfs/dbraw/zinc/69/44/63/505694463.db2.gz UUUNPGNFLCKSLI-CYBMUJFWSA-N 2 0 357.420 3.402 20 0 FGADRP C[NH+](C)CCN(Cc1cccs1)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000084070432 494045893 /nfs/dbraw/zinc/04/58/93/494045893.db2.gz SFZCJFNDTHMLGT-UHFFFAOYSA-N 2 0 360.527 3.405 20 0 FGADRP C[C@H](c1cc2ccccc2o1)N(C)C(=O)C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000577280661 505699682 /nfs/dbraw/zinc/69/96/82/505699682.db2.gz CPUDEEUIBGGVGA-NEWSRXKRSA-N 2 0 369.509 3.274 20 0 FGADRP CC[NH+](CC)CCNC(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000064238566 494108389 /nfs/dbraw/zinc/10/83/89/494108389.db2.gz MSTJDBVKJVHTPZ-UHFFFAOYSA-N 2 0 360.546 3.204 20 0 FGADRP CC(C)[N@H+](C)CC1CCN(C(=O)[C@H]2CCC[NH+]2Cc2ccccc2)CC1 ZINC000064739202 494145741 /nfs/dbraw/zinc/14/57/41/494145741.db2.gz RQICDEDYGWSHBT-OAQYLSRUSA-N 2 0 357.542 3.230 20 0 FGADRP C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000574150364 505705747 /nfs/dbraw/zinc/70/57/47/505705747.db2.gz AAZLCFLFIREVSN-HXUWFJFHSA-N 2 0 357.473 3.196 20 0 FGADRP CC(C)(CC[NH+]1CCCCCC1)NC(=O)NCc1ccc2c[nH+]cn2c1 ZINC000568482326 505705773 /nfs/dbraw/zinc/70/57/73/505705773.db2.gz MHKUMACQCGRODG-UHFFFAOYSA-N 2 0 357.502 3.178 20 0 FGADRP C[NH+](C)[C@H](CNC(=O)Nc1ccc2c(c1)C[NH2+]CC2)c1ccc(Cl)cc1 ZINC000568488337 505707421 /nfs/dbraw/zinc/70/74/21/505707421.db2.gz HOXIGVLOTPUTDW-LJQANCHMSA-N 2 0 372.900 3.410 20 0 FGADRP CC(C)[N@H+](C)CC1CCN(C(=O)c2cccc(C[NH+]3CCCC3)c2)CC1 ZINC000066050074 494273153 /nfs/dbraw/zinc/27/31/53/494273153.db2.gz ISZVYRZLZIHJJW-UHFFFAOYSA-N 2 0 357.542 3.475 20 0 FGADRP C[NH+](C)Cc1cccc(NC(=O)NC[C@@H](Cc2ccccc2)[NH+](C)C)c1 ZINC000044292067 494347648 /nfs/dbraw/zinc/34/76/48/494347648.db2.gz MXTCLQAJACYEMJ-HXUWFJFHSA-N 2 0 354.498 3.043 20 0 FGADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)C1 ZINC000073415541 494368913 /nfs/dbraw/zinc/36/89/13/494368913.db2.gz MVIBKDMQAMWPPV-FPOVZHCZSA-N 2 0 372.557 3.197 20 0 FGADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)NCc2cccc(C[NH+]3CCCC3)c2)C1 ZINC000073628252 494404122 /nfs/dbraw/zinc/40/41/22/494404122.db2.gz DTGBXZMDWFLZEM-OAQYLSRUSA-N 2 0 372.557 3.156 20 0 FGADRP O=C(NCc1ccccc1C[NH+]1CCCCC1)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000045192662 494405145 /nfs/dbraw/zinc/40/51/45/494405145.db2.gz OTVJTWCQOHJKGN-NHCUHLMSSA-N 2 0 370.541 3.099 20 0 FGADRP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C ZINC000079221369 494421940 /nfs/dbraw/zinc/42/19/40/494421940.db2.gz AXENATINCZPQNG-PZJWPPBQSA-N 2 0 374.573 3.113 20 0 FGADRP CC[C@H](NC(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@@H+]1CC)c1cccs1 ZINC000073795132 494430259 /nfs/dbraw/zinc/43/02/59/494430259.db2.gz IPAVSIAYXVNTDI-SJORKVTESA-N 2 0 366.575 3.257 20 0 FGADRP Cc1cc(C)cc([C@@H](C)[NH2+]Cc2ccc(C(=O)NCC[NH+](C)C)cc2)c1 ZINC000090038542 494431474 /nfs/dbraw/zinc/43/14/74/494431474.db2.gz XSDOOQYFEMAQDV-GOSISDBHSA-N 2 0 353.510 3.446 20 0 FGADRP C[C@@H]1Cc2ccccc2[C@@H]1[NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000090038576 494431627 /nfs/dbraw/zinc/43/16/27/494431627.db2.gz SNNPHSPICPMUPZ-IIBYNOLFSA-N 2 0 351.494 3.001 20 0 FGADRP CC1CC[NH+](CCCCNC(=O)NCCCC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000079389772 494444935 /nfs/dbraw/zinc/44/49/35/494444935.db2.gz JTZZGQKFZPJONK-HXUWFJFHSA-N 2 0 366.594 3.452 20 0 FGADRP CCCC[N@H+](C)CC1CC[NH+]([C@H](C)C(=O)NCCc2ccccc2)CC1 ZINC000066960863 494446222 /nfs/dbraw/zinc/44/62/22/494446222.db2.gz UFGAPUVFJTUKEZ-LJQANCHMSA-N 2 0 359.558 3.178 20 0 FGADRP CC[N@H+](C)CCNC(=O)NCc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000066987641 494452194 /nfs/dbraw/zinc/45/21/94/494452194.db2.gz HCWPLYBLDAJGQK-UHFFFAOYSA-N 2 0 368.525 3.166 20 0 FGADRP C[C@H]([NH2+]Cc1ccc([S@](C)=O)cc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000090221084 494456471 /nfs/dbraw/zinc/45/64/71/494456471.db2.gz FJIMXHAWAVVQPA-IVCQMTBJSA-N 2 0 360.523 3.215 20 0 FGADRP CC[NH+](CC)CCCNC(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000074001660 494463965 /nfs/dbraw/zinc/46/39/65/494463965.db2.gz XECYZVMTUFEMCX-OALUTQOASA-N 2 0 352.567 3.014 20 0 FGADRP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1ccc2c(c1)OCCCO2 ZINC000090523145 494478586 /nfs/dbraw/zinc/47/85/86/494478586.db2.gz PYJVVCBKOYFVOK-VDGAXYAQSA-N 2 0 374.525 3.266 20 0 FGADRP C[C@@H]([NH2+][C@H]1CCO[C@]2(CCSC2)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000090541745 494480000 /nfs/dbraw/zinc/48/00/00/494480000.db2.gz VPPQILBPVBFLST-IMFGXOCKSA-N 2 0 364.555 3.332 20 0 FGADRP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)CC(=O)Nc2cccnc2Cl)C1 ZINC000090586112 494484475 /nfs/dbraw/zinc/48/44/75/494484475.db2.gz MKRGTYHINPVOSF-HOTGVXAUSA-N 2 0 366.937 3.410 20 0 FGADRP Cc1ccc2c(c1)[C@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)CCCO2 ZINC000090937313 494504178 /nfs/dbraw/zinc/50/41/78/494504178.db2.gz DDQGVOUREIMXPN-LJQANCHMSA-N 2 0 355.482 3.334 20 0 FGADRP C[NH+](C)CCOc1cc(C[NH2+][C@H]2CCCOc3ccc(F)cc32)ccn1 ZINC000090937265 494504770 /nfs/dbraw/zinc/50/47/70/494504770.db2.gz PMDDEXGOVMZVCZ-SFHVURJKSA-N 2 0 359.445 3.165 20 0 FGADRP C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000074298044 494513381 /nfs/dbraw/zinc/51/33/81/494513381.db2.gz ULHHLPFXYAIFHH-OAQYLSRUSA-N 2 0 369.553 3.089 20 0 FGADRP C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)c2cccc(C[NH+]3CCCC3)c2)C1 ZINC000074320878 494517946 /nfs/dbraw/zinc/51/79/46/494517946.db2.gz ACTJLXZHSSYRPA-FQEVSTJZSA-N 2 0 355.526 3.086 20 0 FGADRP CC1CC[NH+](Cc2ccc(CNC(=O)C[N@@H+]3CCC(C)(C)C3)cc2)CC1 ZINC000568578835 505726352 /nfs/dbraw/zinc/72/63/52/505726352.db2.gz BREMINZJGDDNSH-UHFFFAOYSA-N 2 0 357.542 3.267 20 0 FGADRP C[C@H](c1ccc(OC(F)F)cc1)[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000067457281 494545164 /nfs/dbraw/zinc/54/51/64/494545164.db2.gz MKDDTYVOFPJMSN-OAHLLOKOSA-N 2 0 354.441 3.393 20 0 FGADRP [NH3+]C[C@H](Cc1ccccc1)[C@@H]1CCCCN1C(=O)c1ccc2c(c1)C[NH2+]C2 ZINC000580300394 505727634 /nfs/dbraw/zinc/72/76/34/505727634.db2.gz GAWLFYNIRAWLAZ-UNMCSNQZSA-N 2 0 363.505 3.102 20 0 FGADRP C[NH+](C)Cc1c2ccccc2oc1C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000074601841 494564097 /nfs/dbraw/zinc/56/40/97/494564097.db2.gz CAQXNZCOEDIRMH-UHFFFAOYSA-N 2 0 361.405 3.327 20 0 FGADRP C[C@@H]1C[C@H](NC(=O)NCC2([NH+](C)C)CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000080056155 494577916 /nfs/dbraw/zinc/57/79/16/494577916.db2.gz LNNJMSQVJDOQIO-UYAOXDASSA-N 2 0 372.557 3.213 20 0 FGADRP COc1ccccc1[C@H]([NH2+]C[C@H](C)CN1CC[NH+](C)CC1)C1CCCC1 ZINC000091320278 494584450 /nfs/dbraw/zinc/58/44/50/494584450.db2.gz HJCWLBXGAZDQFU-PGRDOPGGSA-N 2 0 359.558 3.400 20 0 FGADRP C[C@@H]([NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1)c1nc2ccccc2n1C ZINC000091348793 494585694 /nfs/dbraw/zinc/58/56/94/494585694.db2.gz VFWOALDLYWYWCX-GOSISDBHSA-N 2 0 369.557 3.174 20 0 FGADRP CC[NH+](CC)Cc1ccc(CNC(=O)NC[C@H](C)[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000107717540 494591273 /nfs/dbraw/zinc/59/12/73/494591273.db2.gz XQBPVHDRDDOCLM-OALUTQOASA-N 2 0 374.573 3.448 20 0 FGADRP C[C@@H]1C[C@@H](NC(=O)NCCC2CC[NH+](C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000080115002 494602355 /nfs/dbraw/zinc/60/23/55/494602355.db2.gz YTUYTPDWXMVUKJ-NQIIRXRSSA-N 2 0 372.557 3.071 20 0 FGADRP C[C@H]1CCC[N@H+](CCCCNC(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)C1 ZINC000107833850 494609033 /nfs/dbraw/zinc/60/90/33/494609033.db2.gz CUHLVYAZQNQREL-PMACEKPBSA-N 2 0 364.578 3.158 20 0 FGADRP CC(C)CC[NH+]1CCC(CNC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC000080155820 494616793 /nfs/dbraw/zinc/61/67/93/494616793.db2.gz WUSDHVRQMXJRPR-IHWFROFDSA-N 2 0 364.578 3.059 20 0 FGADRP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000115789940 494624030 /nfs/dbraw/zinc/62/40/30/494624030.db2.gz ZYAFQMTZGQVVAO-OAQYLSRUSA-N 2 0 372.557 3.156 20 0 FGADRP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](C[C@H]2C[C@H]2c2ccccc2)CC1 ZINC000092426682 494625286 /nfs/dbraw/zinc/62/52/86/494625286.db2.gz FGVWLUDCXAWZTK-RTWAWAEBSA-N 2 0 371.569 3.206 20 0 FGADRP COc1cc(C[NH+]2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)ccc1OC(F)F ZINC000574258784 505733168 /nfs/dbraw/zinc/73/31/68/505733168.db2.gz NSQATZRXBWDBBU-QAPCUYQASA-N 2 0 370.440 3.015 20 0 FGADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000057157325 494659510 /nfs/dbraw/zinc/65/95/10/494659510.db2.gz OPMQOPCMULFUFD-UHFFFAOYSA-N 2 0 374.356 3.268 20 0 FGADRP CC[C@@H](c1ccccc1)[C@@H]1CCC[N@@H+]1CC(=O)NC1CC[NH+](CC)CC1 ZINC000074992080 494669390 /nfs/dbraw/zinc/66/93/90/494669390.db2.gz MLEFURVPYZZXHG-SFTDATJTSA-N 2 0 357.542 3.245 20 0 FGADRP CC1CC[NH+](CCNC(=O)N2CCC[N@H+](CC3CCCCC3)CC2)CC1 ZINC000108410006 494700748 /nfs/dbraw/zinc/70/07/48/494700748.db2.gz WXBUPZCFHMWSQS-UHFFFAOYSA-N 2 0 364.578 3.016 20 0 FGADRP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(C[NH2+]C/C=C/c3ccccc3)c2)C1 ZINC000108420713 494702708 /nfs/dbraw/zinc/70/27/08/494702708.db2.gz YIKOSLRTRRDWAN-NCZOVAKNSA-N 2 0 363.505 3.187 20 0 FGADRP C[N@H+](Cc1ccccc1CNC(=O)NC1CC[NH+](C)CC1)C1CCCCC1 ZINC000057286052 494703927 /nfs/dbraw/zinc/70/39/27/494703927.db2.gz QOWSZYBLZQPUGM-UHFFFAOYSA-N 2 0 372.557 3.345 20 0 FGADRP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cn(-c3ccccc3)nc2-c2cccnc2)C1 ZINC000108428103 494705451 /nfs/dbraw/zinc/70/54/51/494705451.db2.gz UEURKQWBGJIYGI-SFHVURJKSA-N 2 0 361.493 3.366 20 0 FGADRP C[C@H]1CCN(C(=O)/C=C/c2ccc(-n3ccnc3)cc2)C[C@@H]1n1ccnc1 ZINC000126323112 494709536 /nfs/dbraw/zinc/70/95/36/494709536.db2.gz ZKLKQAKMVSZQGY-VHUOYKGJSA-N 2 0 361.449 3.192 20 0 FGADRP CC[N@H+](Cc1ccc(C(=O)N2CC[C@@H](C[NH+](C)CC3CC3)C2)cc1)C1CC1 ZINC000080473120 494713609 /nfs/dbraw/zinc/71/36/09/494713609.db2.gz ZJGAPQMBNSAJCK-FQEVSTJZSA-N 2 0 369.553 3.475 20 0 FGADRP CC1CC[NH+]([C@H](CNC(=O)NC[C@H]2CCC[N@H+](C)C2)c2ccccc2)CC1 ZINC000108561916 494740790 /nfs/dbraw/zinc/74/07/90/494740790.db2.gz MPQQLANEMOYYSJ-TZIWHRDSSA-N 2 0 372.557 3.101 20 0 FGADRP Brc1cc2c(c(C[N@@H+]3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)c1)OCC2 ZINC000577492673 505738970 /nfs/dbraw/zinc/73/89/70/505738970.db2.gz NFLOAZOTOSCNRN-CABCVRRESA-N 2 0 365.315 3.206 20 0 FGADRP CC[NH+](CC)CCCNC(=O)C1CC[NH+](C[C@@H]2CCC[C@H](C)C2)CC1 ZINC000092794253 494751333 /nfs/dbraw/zinc/75/13/33/494751333.db2.gz AOMUPENMPLPWPJ-RBUKOAKNSA-N 2 0 351.579 3.373 20 0 FGADRP C[C@H]1CCC[N@H+](CCCCNC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)C1 ZINC000116422241 494782237 /nfs/dbraw/zinc/78/22/37/494782237.db2.gz HCMWNKDSFLNFAD-ROUUACIJSA-N 2 0 354.583 3.164 20 0 FGADRP C[C@@H](C[NH2+][C@@H]1CCCOc2cc3c(cc21)CCCC3)CN1CC[NH+](C)CC1 ZINC000126648418 494811019 /nfs/dbraw/zinc/81/10/19/494811019.db2.gz IKOUGHRIKMIWFS-PGRDOPGGSA-N 2 0 371.569 3.252 20 0 FGADRP Cc1nn(C)c2ncc(C[NH+]3CCC(CCC[NH+]4CCCC4)CC3)cc12 ZINC000121597977 494816038 /nfs/dbraw/zinc/81/60/38/494816038.db2.gz DVDFPNPPGBIUEO-UHFFFAOYSA-N 2 0 355.530 3.365 20 0 FGADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H]1CCCOc2cc3c(cc21)CCCC3 ZINC000126676401 494817609 /nfs/dbraw/zinc/81/76/09/494817609.db2.gz NVDCWCPOBJLOAY-DYESRHJHSA-N 2 0 357.542 3.005 20 0 FGADRP Cc1nc2c(s1)[C@H]([NH2+]Cc1ccc(CN3CC[NH+](C)CC3)cc1)CCC2 ZINC000126724491 494827488 /nfs/dbraw/zinc/82/74/88/494827488.db2.gz UTUNYAZUGVJDMH-LJQANCHMSA-N 2 0 370.566 3.366 20 0 FGADRP CC(=O)N1CCC([NH2+]CCCC[NH+]2CCC(Cc3ccccc3)CC2)CC1 ZINC000109350676 494862482 /nfs/dbraw/zinc/86/24/82/494862482.db2.gz GOEAMOCHQIERML-UHFFFAOYSA-N 2 0 371.569 3.322 20 0 FGADRP CC[NH+]1CCC(NC(=O)C[N@H+](CC(C)C)[C@@H]2CCCc3cccnc32)CC1 ZINC000127018944 494880589 /nfs/dbraw/zinc/88/05/89/494880589.db2.gz ZBLRIAFXRBJASC-HXUWFJFHSA-N 2 0 372.557 3.018 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)N1CCC[N@@H+](C(C)(C)C)CC1)CC(C)C ZINC000109482043 494881303 /nfs/dbraw/zinc/88/13/03/494881303.db2.gz VKMZBNZKAGALAJ-GOSISDBHSA-N 2 0 354.583 3.259 20 0 FGADRP COc1ccc(Cl)cc1[C@@H](C)[NH2+]C[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000132542290 494890827 /nfs/dbraw/zinc/89/08/27/494890827.db2.gz JXKNUHIRBRJMEI-CRAIPNDOSA-N 2 0 353.938 3.271 20 0 FGADRP CC[NH+](CC)Cc1ccccc1CNC(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000117285485 494907663 /nfs/dbraw/zinc/90/76/63/494907663.db2.gz WELLRWMADHCMRX-NRFANRHFSA-N 2 0 372.557 3.298 20 0 FGADRP C[N@H+](CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)C1CCCCC1 ZINC000109699154 494909355 /nfs/dbraw/zinc/90/93/55/494909355.db2.gz NOHBYYJYWGSHTA-UHFFFAOYSA-N 2 0 361.555 3.438 20 0 FGADRP CC(C)[C@H](C[NH2+][C@H](C)CC(=O)Nc1cccnc1Cl)[NH+]1CCCC1 ZINC000132950789 494947354 /nfs/dbraw/zinc/94/73/54/494947354.db2.gz OPPXJNJDTIPCMB-ZBFHGGJFSA-N 2 0 352.910 3.162 20 0 FGADRP Cc1cc(Cl)cc2c1OCCC[C@@H]2[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000122555656 494993340 /nfs/dbraw/zinc/99/33/40/494993340.db2.gz ROPXEZXKOZCSRZ-IBGZPJMESA-N 2 0 365.949 3.478 20 0 FGADRP C[C@@H](C(=O)NC1CC[NH+](C2CC2)CC1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000110614035 494994065 /nfs/dbraw/zinc/99/40/65/494994065.db2.gz NSHFHILSUMXJRC-SFHVURJKSA-N 2 0 369.553 3.073 20 0 FGADRP C[C@@H](C(=O)N1CC[C@@H]([NH+]2CCCC2)C1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000110690526 495000794 /nfs/dbraw/zinc/00/07/94/495000794.db2.gz ORUUHUSPKVFIFQ-SIKLNZKXSA-N 2 0 369.553 3.026 20 0 FGADRP C[C@@H]([NH2+]Cc1ccc(-n2ccnc2)c(F)c1)c1ccc(S(C)(=O)=O)cc1 ZINC000127898568 495014239 /nfs/dbraw/zinc/01/42/39/495014239.db2.gz GAMWMQSITKNWFX-CQSZACIVSA-N 2 0 373.453 3.266 20 0 FGADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC2CC[NH+](C(C)C)CC2)C1 ZINC000111439306 495074674 /nfs/dbraw/zinc/07/46/74/495074674.db2.gz ZKEBOOTUDXXSJX-QGZVFWFLSA-N 2 0 352.567 3.059 20 0 FGADRP C[NH+](C)Cc1ccc(CNC(=O)NCCCCC[NH+]2CCCCC2)cc1 ZINC000111444198 495075574 /nfs/dbraw/zinc/07/55/74/495075574.db2.gz ZSHFNFFYSVSGGW-UHFFFAOYSA-N 2 0 360.546 3.204 20 0 FGADRP CC[C@@H](C[NH2+]C1CCN(CC(F)(F)F)CC1)N1CCc2ccccc2C1 ZINC000123097430 495080028 /nfs/dbraw/zinc/08/00/28/495080028.db2.gz XDGBGNNQTDSEOF-IBGZPJMESA-N 2 0 369.475 3.440 20 0 FGADRP Cc1nccn1C[C@@H](C)C[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000133934094 495083244 /nfs/dbraw/zinc/08/32/44/495083244.db2.gz OZOFJFGNNHEYPR-SFHVURJKSA-N 2 0 369.557 3.148 20 0 FGADRP COc1ccc2ccccc2c1C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000134071587 495101397 /nfs/dbraw/zinc/10/13/97/495101397.db2.gz HJVDJICXBAXQCX-UHFFFAOYSA-N 2 0 354.494 3.393 20 0 FGADRP Cc1ccc(C[NH2+]CCCC[NH+]2CCN(Cc3ccccc3)CC2)nc1 ZINC000134074331 495102593 /nfs/dbraw/zinc/10/25/93/495102593.db2.gz XPCPKIPAISQAHT-UHFFFAOYSA-N 2 0 352.526 3.078 20 0 FGADRP Cc1ccc([C@@H](CNC(=O)NCC[NH+](C(C)C)C(C)C)[NH+]2CCCC2)o1 ZINC000102039013 495117361 /nfs/dbraw/zinc/11/73/61/495117361.db2.gz BLCCIXTZDKZEFL-GOSISDBHSA-N 2 0 364.534 3.143 20 0 FGADRP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCC(CC[NH+](C)C)CC2)C1 ZINC000111881032 495124907 /nfs/dbraw/zinc/12/49/07/495124907.db2.gz NDYVTPNDGLYZIN-SFHVURJKSA-N 2 0 366.594 3.260 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccccc2Cn2cccn2)[C@H](C)C1 ZINC000119243844 495126290 /nfs/dbraw/zinc/12/62/90/495126290.db2.gz HJJNTYYBZGHAOD-KNQAVFIVSA-N 2 0 370.541 3.158 20 0 FGADRP C[C@H]([NH2+]CCCN1CCC[N@H+](C)CC1)c1ccc(F)cc1OC(F)F ZINC000128629611 495126977 /nfs/dbraw/zinc/12/69/77/495126977.db2.gz ZQTODRZMKCIELK-AWEZNQCLSA-N 2 0 359.436 3.105 20 0 FGADRP C[NH+](C)CCCC1CC[NH+](CC(=O)N[C@@H]2CCCc3ccccc32)CC1 ZINC000123410744 495127739 /nfs/dbraw/zinc/12/77/39/495127739.db2.gz GTENPYUQKDIDJY-OAQYLSRUSA-N 2 0 357.542 3.234 20 0 FGADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@H](C[NH3+])c1ccc2ccccc2c1 ZINC000577604945 505762993 /nfs/dbraw/zinc/76/29/93/505762993.db2.gz KQWRUEBZQGVZKS-WOJBJXKFSA-N 2 0 354.498 3.013 20 0 FGADRP C[C@@H]([NH2+]CCCN1CCC[N@H+](C)CC1)c1cccc(OC(F)(F)F)c1 ZINC000128666493 495132664 /nfs/dbraw/zinc/13/26/64/495132664.db2.gz CATQTWCMKDDWDM-OAHLLOKOSA-N 2 0 359.436 3.263 20 0 FGADRP C[NH+](C)CCCCCCCNC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000128695170 495136460 /nfs/dbraw/zinc/13/64/60/495136460.db2.gz UGSRHLADJHLEPG-AZUAARDMSA-N 2 0 364.578 3.157 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000119341716 495146203 /nfs/dbraw/zinc/14/62/03/495146203.db2.gz QSIMKBUJHIOTBS-XLIONFOSSA-N 2 0 372.557 3.069 20 0 FGADRP C[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)c1ccc(F)c(Cl)c1 ZINC000112519850 495199552 /nfs/dbraw/zinc/19/95/52/495199552.db2.gz RKYXMCFLPLYCBW-CQSZACIVSA-N 2 0 362.880 3.477 20 0 FGADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000103305523 495216666 /nfs/dbraw/zinc/21/66/66/495216666.db2.gz SZNGRIMQVAHDES-PMACEKPBSA-N 2 0 364.578 3.158 20 0 FGADRP CC(C)S(=O)(=O)CCCN(C)C1CC[NH+](C2CCC(C)CC2)CC1 ZINC000119752235 495233332 /nfs/dbraw/zinc/23/33/32/495233332.db2.gz FTNHGCLSKABJGR-UHFFFAOYSA-N 2 0 358.592 3.175 20 0 FGADRP COC[C@@H]1CCC[NH+](Cc2ccc(C[N@H+]3CCC[C@H](COC)C3)cc2)C1 ZINC000112986538 495264158 /nfs/dbraw/zinc/26/41/58/495264158.db2.gz XLWTYYBIDJJXIQ-SZPZYZBQSA-N 2 0 360.542 3.403 20 0 FGADRP C[C@H]([NH2+][C@@H]1COc2ccc(F)cc2C1)c1cccc(OCC[NH+](C)C)c1 ZINC000577655684 505771229 /nfs/dbraw/zinc/77/12/29/505771229.db2.gz VFOZCXNVCMVSFT-KXBFYZLASA-N 2 0 358.457 3.420 20 0 FGADRP Cc1c2cc(C)ccc2[nH]c1C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000129639824 495274301 /nfs/dbraw/zinc/27/43/01/495274301.db2.gz ZAZRPUOKDKVBJH-UHFFFAOYSA-N 2 0 358.530 3.130 20 0 FGADRP CCCC[N@H+](CC)Cc1cccc(CNC(=O)NC[C@@H]2CCC[NH+](C)C2)c1 ZINC000135427231 495290828 /nfs/dbraw/zinc/29/08/28/495290828.db2.gz FCWVBQFTHMFNQO-NRFANRHFSA-N 2 0 374.573 3.450 20 0 FGADRP C[C@@H]1OCC[C@H]1[NH2+]Cc1ccccc1C[NH+]1CCN(c2ccccc2)CC1 ZINC000120133671 495313443 /nfs/dbraw/zinc/31/34/43/495313443.db2.gz SXVJSPNMBWWUQL-WMZHIEFXSA-N 2 0 365.521 3.276 20 0 FGADRP C[C@H]([NH2+]C(C)(C)CNC(=O)N1CCC[C@H]([NH+]2CCCC2)C1)c1ccccc1 ZINC000113624962 495322046 /nfs/dbraw/zinc/32/20/46/495322046.db2.gz DNJGDMIXAMPDRO-ICSRJNTNSA-N 2 0 372.557 3.386 20 0 FGADRP CC[N@@H+]1CCC[C@H](CNC(=O)NCc2ccccc2C[NH+](C)C(C)C)C1 ZINC000105113475 495337713 /nfs/dbraw/zinc/33/77/13/495337713.db2.gz BQABTMGOZSWRSJ-GOSISDBHSA-N 2 0 360.546 3.058 20 0 FGADRP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)NCc2cccc(C[NH+]3CCCC3)c2)C1 ZINC000105118753 495338761 /nfs/dbraw/zinc/33/87/61/495338761.db2.gz MOHNGINAVKFSKB-NRFANRHFSA-N 2 0 372.557 3.202 20 0 FGADRP CC[NH+]1CCN([C@H]2CC[N@H+](CCOc3cccc(C(C)(C)C)c3)C2)CC1 ZINC000113997727 495342232 /nfs/dbraw/zinc/34/22/32/495342232.db2.gz GYSRJCMPMRLYIK-FQEVSTJZSA-N 2 0 359.558 3.075 20 0 FGADRP Cc1cc(C[NH2+]Cc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)ccc1F ZINC000130185961 495353854 /nfs/dbraw/zinc/35/38/54/495353854.db2.gz SIRHKAPIMORGKE-UHFFFAOYSA-N 2 0 369.484 3.250 20 0 FGADRP CCCc1cc(N2CC[C@H]([NH+]3CCN(CC)CC3)C2)c2ccccc2[nH+]1 ZINC000124869836 495357510 /nfs/dbraw/zinc/35/75/10/495357510.db2.gz SMNBFDAQVINVIL-IBGZPJMESA-N 2 0 352.526 3.404 20 0 FGADRP CCC[N@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)[C@H]1CCc2ccccc2C1 ZINC000114455637 495377083 /nfs/dbraw/zinc/37/70/83/495377083.db2.gz MFSBCUNLMFSYQI-QFIPXVFZSA-N 2 0 371.569 3.245 20 0 FGADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)N[C@H]1CCCc2sccc21 ZINC000136593827 495388386 /nfs/dbraw/zinc/38/83/86/495388386.db2.gz NPTMWPZDHLSFJQ-KRWDZBQOSA-N 2 0 366.575 3.041 20 0 FGADRP COc1ccc(Cl)cc1[C@@H](C)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000130527324 495405738 /nfs/dbraw/zinc/40/57/38/495405738.db2.gz WGOXSMHCAWADOC-OAHLLOKOSA-N 2 0 374.916 3.346 20 0 FGADRP C[C@H]1CCC[N@H+](CCCCNC(=O)N2CC[NH+](C3CCCCC3)CC2)C1 ZINC000136861514 495405760 /nfs/dbraw/zinc/40/57/60/495405760.db2.gz PQQMNFLUSDJBKV-IBGZPJMESA-N 2 0 364.578 3.158 20 0 FGADRP C[C@@H]1C[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C[N@@H+]1Cc1ccccc1 ZINC000137465271 495441864 /nfs/dbraw/zinc/44/18/64/495441864.db2.gz RIJVMZWNTDOBGM-DYESRHJHSA-N 2 0 351.494 3.141 20 0 FGADRP C[NH+](C)CC1CCC(NC(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)CC1 ZINC000125434636 495444206 /nfs/dbraw/zinc/44/42/06/495444206.db2.gz VYUGKEDUVREQTD-DQVLVPHSSA-N 2 0 372.557 3.243 20 0 FGADRP CC(C)[C@H](C(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)[NH+](C)C ZINC000106427312 495455648 /nfs/dbraw/zinc/45/56/48/495455648.db2.gz QMBWBDXSFNGTEM-GOSISDBHSA-N 2 0 351.922 3.007 20 0 FGADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N[C@H]1CC[NH+](C2CCCC2)C1 ZINC000106527169 495463204 /nfs/dbraw/zinc/46/32/04/495463204.db2.gz PGVCWZSBZSBESB-FQEVSTJZSA-N 2 0 372.557 3.343 20 0 FGADRP C[C@@H](C[NH2+][C@@H](C)c1ccc(F)cc1Br)CN1CC[NH+](C)CC1 ZINC000120871245 495474972 /nfs/dbraw/zinc/47/49/72/495474972.db2.gz LVMOEYZHUUCPHQ-KBPBESRZSA-N 2 0 372.326 3.122 20 0 FGADRP CC1CC[NH+](C2CCC(NC(=O)NCC[N@H+](C)C3CCCC3)CC2)CC1 ZINC000125735441 495489932 /nfs/dbraw/zinc/48/99/32/495489932.db2.gz BOPBSCIUAAQGOT-UHFFFAOYSA-N 2 0 364.578 3.203 20 0 FGADRP CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+]C2CC[NH+](CC(C)C)CC2)cc1 ZINC000131206666 495506588 /nfs/dbraw/zinc/50/65/88/495506588.db2.gz ZSMJKYRLBBQAAM-INIZCTEOSA-N 2 0 367.559 3.219 20 0 FGADRP C[C@H]([NH2+]CCCC[NH+]1CCN(C)CC1)c1ccc(Br)cc1F ZINC000125874506 495511715 /nfs/dbraw/zinc/51/17/15/495511715.db2.gz KUWYTSIRESSKOC-AWEZNQCLSA-N 2 0 372.326 3.266 20 0 FGADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H](C)c1ccc(NS(C)(=O)=O)cc1 ZINC000131285678 495516979 /nfs/dbraw/zinc/51/69/79/495516979.db2.gz ZAWKPNNQXUCMBI-JKSUJKDBSA-N 2 0 355.548 3.219 20 0 FGADRP Cc1cccc(C[C@@H]([NH2+]Cc2cccnc2N2CC[NH+](C)CC2)C2CC2)c1 ZINC000158530084 495531109 /nfs/dbraw/zinc/53/11/09/495531109.db2.gz UEKKUAZHDAKTON-JOCHJYFZSA-N 2 0 364.537 3.253 20 0 FGADRP C[C@H](NC(=O)NCCC[NH+]1CCC(C)CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182375819 495538026 /nfs/dbraw/zinc/53/80/26/495538026.db2.gz VQXXHOVZEKNNMH-RBUKOAKNSA-N 2 0 364.578 3.061 20 0 FGADRP Cc1ccc(S(=O)(=O)[C@H]2CCCC[C@H]2[NH2+]CC2CC[NH+](C)CC2)cc1 ZINC000185359112 495547055 /nfs/dbraw/zinc/54/70/55/495547055.db2.gz NBJNWJGIJVMYGT-UXHICEINSA-N 2 0 364.555 3.011 20 0 FGADRP CC[NH+]1CCN(CCC[NH2+][C@H](C)c2ccc(Br)s2)CC1 ZINC000154246539 495556834 /nfs/dbraw/zinc/55/68/34/495556834.db2.gz GXMBMVGLKFOWHR-CYBMUJFWSA-N 2 0 360.365 3.189 20 0 FGADRP C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]CCC[NH+]1CCCC1 ZINC000170683002 495563916 /nfs/dbraw/zinc/56/39/16/495563916.db2.gz CGKDHXCSNQOPLD-AWEZNQCLSA-N 2 0 368.319 3.242 20 0 FGADRP CCCC[NH+]1CCC(NC(=O)NCc2cccc(C[N@H+](C)CC)c2)CC1 ZINC000158736489 495578194 /nfs/dbraw/zinc/57/81/94/495578194.db2.gz RQZGFPFCHJYXNI-UHFFFAOYSA-N 2 0 360.546 3.202 20 0 FGADRP CCc1ccc(C[NH+]2CCC(C(=O)NCCC[NH+]3CCCCC3)CC2)cc1 ZINC000179449101 495595095 /nfs/dbraw/zinc/59/50/95/495595095.db2.gz GRWLJCAWFTUULA-UHFFFAOYSA-N 2 0 371.569 3.453 20 0 FGADRP C[N@@H+]1CCC[C@@H]2CN([C@H](C(=O)N3CCCCC3)c3ccccc3)CC[C@@H]21 ZINC000158918981 495615832 /nfs/dbraw/zinc/61/58/32/495615832.db2.gz NNEBNEXVCDKQRH-HKBOAZHASA-N 2 0 355.526 3.156 20 0 FGADRP CCN1CC[NH+](CCCC[NH2+][C@@H]2CC3(CCC3)Oc3ccccc32)CC1 ZINC000154510261 495638231 /nfs/dbraw/zinc/63/82/31/495638231.db2.gz QBWKWINOERIHPC-HXUWFJFHSA-N 2 0 357.542 3.440 20 0 FGADRP Cc1cccc(C[C@H](CO)[NH2+][C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000580602551 505794343 /nfs/dbraw/zinc/79/43/43/505794343.db2.gz JYPNHYJLZHBADH-UEVCKROQSA-N 2 0 352.522 3.399 20 0 FGADRP CC1CC[NH+](C[C@H]2CCCN(C(=O)NCCC[NH+]3CCCCC3)C2)CC1 ZINC000170886169 495641038 /nfs/dbraw/zinc/64/10/38/495641038.db2.gz OKIPMCYLVUEPQM-HXUWFJFHSA-N 2 0 364.578 3.016 20 0 FGADRP COC[C@H]([NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(F)c(F)c1 ZINC000182666087 495655257 /nfs/dbraw/zinc/65/52/57/495655257.db2.gz GPDCODMUXAYVQU-KHYOSLBOSA-N 2 0 356.457 3.131 20 0 FGADRP CCC[C@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)c1ccc(OC)cc1 ZINC000159134429 495666647 /nfs/dbraw/zinc/66/66/47/495666647.db2.gz AEJQWDVGLCHZRN-NRFANRHFSA-N 2 0 368.525 3.473 20 0 FGADRP CC[C@@H]([NH2+]CC1CC[NH+](CCO)CC1)c1ccc(Br)cc1 ZINC000150937580 495687649 /nfs/dbraw/zinc/68/76/49/495687649.db2.gz SJLXNEYITHGZFS-QGZVFWFLSA-N 2 0 355.320 3.194 20 0 FGADRP C[C@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1ccccc1OC(F)(F)F ZINC000150953237 495692636 /nfs/dbraw/zinc/69/26/36/495692636.db2.gz XJNWPWVNXQZZDE-AWEZNQCLSA-N 2 0 359.436 3.262 20 0 FGADRP CC[NH+](CC)CCCC1CC[NH+](Cc2cc(=O)n3ccsc3n2)CC1 ZINC000182775010 495697499 /nfs/dbraw/zinc/69/74/99/495697499.db2.gz DAUZFTVVBBACMB-UHFFFAOYSA-N 2 0 362.543 3.090 20 0 FGADRP CC(C)(C)OC(=O)N(CC1CC1)C1CC[NH+](CCCn2ccnc2)CC1 ZINC000182832109 495719496 /nfs/dbraw/zinc/71/94/96/495719496.db2.gz ISRXOURBSRLXPQ-UHFFFAOYSA-N 2 0 362.518 3.385 20 0 FGADRP COCC1=CC[NH+](Cc2cccc(C[N@H+]3CC=C(COC)CC3)c2)CC1 ZINC000185827164 495740809 /nfs/dbraw/zinc/74/08/09/495740809.db2.gz ONIIQEGFTYEAAQ-UHFFFAOYSA-N 2 0 356.510 3.244 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(F)c(COC)c2)[C@H](C)C1 ZINC000151195030 495768343 /nfs/dbraw/zinc/76/83/43/495768343.db2.gz LERMQLYTIREVEL-UZLBHIALSA-N 2 0 352.494 3.199 20 0 FGADRP COc1ncc(C[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1Cl ZINC000574563294 505802680 /nfs/dbraw/zinc/80/26/80/505802680.db2.gz YHSDNEULBJPVEJ-LPHOPBHVSA-N 2 0 359.857 3.089 20 0 FGADRP CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000182962207 495777230 /nfs/dbraw/zinc/77/72/30/495777230.db2.gz VBBPVPWFSVSGAE-RBUKOAKNSA-N 2 0 374.573 3.096 20 0 FGADRP CC[NH+](CC)CCNC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000154971672 495788797 /nfs/dbraw/zinc/78/87/97/495788797.db2.gz VUHSUMJQWWJYQH-UYAOXDASSA-N 2 0 360.546 3.023 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cccc(Cn3ccnc3)c2)[C@H](C)C1 ZINC000151325735 495805992 /nfs/dbraw/zinc/80/59/92/495805992.db2.gz JALXNBKARLUSJU-KNQAVFIVSA-N 2 0 370.541 3.158 20 0 FGADRP Cc1nc(Cc2ccccc2)sc1[C@@H](C)[NH2+][C@H](C)CN1CC[NH+](C)CC1 ZINC000155038095 495812392 /nfs/dbraw/zinc/81/23/92/495812392.db2.gz OWMMWFQUDJUTMD-IAGOWNOFSA-N 2 0 372.582 3.329 20 0 FGADRP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@]2(C)Cc2ccccc2)CC1 ZINC000186036977 495830945 /nfs/dbraw/zinc/83/09/45/495830945.db2.gz QLFSTTFGSHEAQV-JOCHJYFZSA-N 2 0 357.542 3.073 20 0 FGADRP CC[NH+](CC)Cc1ccc(CNC(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000174130546 495831353 /nfs/dbraw/zinc/83/13/53/495831353.db2.gz PIWJOACFNRMISQ-NRFANRHFSA-N 2 0 372.557 3.156 20 0 FGADRP CC[C@H]([NH2+][C@H](C)CN1CC[NH+](C)CC1)c1cccc(Br)c1 ZINC000155094937 495833756 /nfs/dbraw/zinc/83/37/56/495833756.db2.gz TWDKZXXGRKOCJA-PBHICJAKSA-N 2 0 354.336 3.126 20 0 FGADRP COc1cc([C@@H](C)[NH2+][C@H](C)CN2CC[NH+](C)CC2)ccc1SC(F)F ZINC000155104648 495837415 /nfs/dbraw/zinc/83/74/15/495837415.db2.gz JNPZWJULVFVPPO-ZIAGYGMSSA-N 2 0 373.513 3.296 20 0 FGADRP Cc1ccc([C@H]([NH2+]Cc2cccnc2N2CC[NH+](C)CC2)C2CC2)cc1 ZINC000180057821 495840058 /nfs/dbraw/zinc/84/00/58/495840058.db2.gz FQQYKHVYECDRPT-NRFANRHFSA-N 2 0 350.510 3.383 20 0 FGADRP CC[NH+](CC)Cc1cccc(CNC(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000174153288 495840366 /nfs/dbraw/zinc/84/03/66/495840366.db2.gz ATWBFHAYIGWZHP-NRFANRHFSA-N 2 0 372.557 3.156 20 0 FGADRP CC(=O)N1CCC(C[NH2+][C@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000183139517 495850736 /nfs/dbraw/zinc/85/07/36/495850736.db2.gz JBKLOUHWICZRSH-VABKMULXSA-N 2 0 369.553 3.135 20 0 FGADRP CC[NH+]1CCN([C@H](C)C[NH2+]Cc2ccc(-c3ccccc3OC)cc2)CC1 ZINC000174269726 495889621 /nfs/dbraw/zinc/88/96/21/495889621.db2.gz LAAGWNVOWZHJDG-LJQANCHMSA-N 2 0 367.537 3.478 20 0 FGADRP C[NH+](C)C1CCN(CC[NH2+]CC(c2ccccc2)c2ccccc2)CC1 ZINC000180242404 495921792 /nfs/dbraw/zinc/92/17/92/495921792.db2.gz ZYXCIUYXKVWYLW-UHFFFAOYSA-N 2 0 351.538 3.434 20 0 FGADRP COc1ccccc1-c1ccc(C[NH2+]C[C@@H](C)N2CC[NH+](C)CC2)cc1 ZINC000174353623 495923665 /nfs/dbraw/zinc/92/36/65/495923665.db2.gz PMSDYXKLHHUIKT-GOSISDBHSA-N 2 0 353.510 3.088 20 0 FGADRP CCC[NH+]1CCC([NH2+]C[C@@H](CO)Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000183349829 495942403 /nfs/dbraw/zinc/94/24/03/495942403.db2.gz WIFJYADDVPDRMP-INIZCTEOSA-N 2 0 374.447 3.200 20 0 FGADRP C[N@H+](C[C@H](O)COc1ccccc1F)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000174404885 495944278 /nfs/dbraw/zinc/94/42/78/495944278.db2.gz RCJRPLRXKFQROJ-PMACEKPBSA-N 2 0 372.484 3.019 20 0 FGADRP CC[NH+](CC)Cc1cccc(CNC(=O)N2CCC[C@H]2C[NH+]2CCCC2)c1 ZINC000171615942 495949375 /nfs/dbraw/zinc/94/93/75/495949375.db2.gz ONPUKDMPJCAMLV-NRFANRHFSA-N 2 0 372.557 3.298 20 0 FGADRP CN(C)C(=O)CC1CC[NH+](CC(C)(C)C[N@H+](C)Cc2ccccc2)CC1 ZINC000180330650 495954032 /nfs/dbraw/zinc/95/40/32/495954032.db2.gz FUPNLZPJFPONKF-UHFFFAOYSA-N 2 0 359.558 3.335 20 0 FGADRP C[C@@H](c1ccc(C(C)(C)C)cc1)[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000171656181 495975553 /nfs/dbraw/zinc/97/55/53/495975553.db2.gz GPNJVBVXVKQAFS-KRWDZBQOSA-N 2 0 359.558 3.435 20 0 FGADRP COc1ccc([C@@H]([NH2+]CCCN2CCC[N@H+](C)CC2)c2ccccc2)cc1 ZINC000180467193 496006859 /nfs/dbraw/zinc/00/68/59/496006859.db2.gz CDNFVMJDRLCSLS-QHCPKHFHSA-N 2 0 367.537 3.402 20 0 FGADRP Cn1ncc2c1CCC[C@@H]2[NH2+]CCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000183497772 496009712 /nfs/dbraw/zinc/00/97/12/496009712.db2.gz RTTMCGUIAUTVTQ-NRFANRHFSA-N 2 0 368.525 3.104 20 0 FGADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H](C)c2ccc(Br)s2)CC1 ZINC000155602635 496010149 /nfs/dbraw/zinc/01/01/49/496010149.db2.gz LLVBCMUWWOJEEF-QWHCGFSZSA-N 2 0 360.365 3.187 20 0 FGADRP C[C@@H]([NH2+]CCc1nn(C)c2ccccc12)c1cccc(OCC[NH+](C)C)c1 ZINC000186475619 496011908 /nfs/dbraw/zinc/01/19/08/496011908.db2.gz CBNJQKKKACATKN-QGZVFWFLSA-N 2 0 366.509 3.407 20 0 FGADRP Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)CC3 ZINC000180516177 496028848 /nfs/dbraw/zinc/02/88/48/496028848.db2.gz WXPVVILVVYSQPA-ZWKOTPCHSA-N 2 0 355.526 3.160 20 0 FGADRP Cc1ccc(OC(F)F)c([C@@H](C)[NH2+][C@H](C)CCN2CC[NH+](C)CC2)c1 ZINC000186592634 496061985 /nfs/dbraw/zinc/06/19/85/496061985.db2.gz AXRVABMUAGLIIR-HZPDHXFCSA-N 2 0 355.473 3.273 20 0 FGADRP CCN(CC[NH2+][C@H](C)CC(=O)Nc1cccc(Br)c1)C1CC1 ZINC000155818976 496077768 /nfs/dbraw/zinc/07/77/68/496077768.db2.gz MBDUWXJDCGKKLS-CYBMUJFWSA-N 2 0 368.319 3.240 20 0 FGADRP C[C@@H]1C[NH+](CCC2CC[NH+](Cc3cccc4nccn43)CC2)C[C@@H](C)O1 ZINC000180633294 496079070 /nfs/dbraw/zinc/07/90/70/496079070.db2.gz JNYUSUHOYHDQRL-QZTJIDSGSA-N 2 0 356.514 3.046 20 0 FGADRP C[C@@H](NCC(=O)NC12CC3CC(CC(C3)C1)C2)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000571840952 505824922 /nfs/dbraw/zinc/82/49/22/505824922.db2.gz BKJLLCMYNFNYRO-CGVQKBNFSA-N 2 0 373.585 3.314 20 0 FGADRP O=C(NCCCCC[NH+]1CCCCC1)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000161626303 496210014 /nfs/dbraw/zinc/21/00/14/496210014.db2.gz CCPZKLXVSZECAQ-HXUWFJFHSA-N 2 0 364.578 3.303 20 0 FGADRP CC[N@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)[C@@H](C)c1cccc(OC)c1 ZINC000172246206 496226239 /nfs/dbraw/zinc/22/62/39/496226239.db2.gz WEZXDEJROIOPGP-KRWDZBQOSA-N 2 0 361.530 3.067 20 0 FGADRP Cc1nc(COc2ccc(C[NH+]3CCC(C[NH+]4CCCC4)CC3)cc2)no1 ZINC000152687649 496226609 /nfs/dbraw/zinc/22/66/09/496226609.db2.gz KOPKNZNMJDXWBL-UHFFFAOYSA-N 2 0 370.497 3.265 20 0 FGADRP CCc1nc(CN2CCC(C[NH2+][C@@H]3C[C@@H](C)[N@H+](C)C[C@@H]3C)CC2)cs1 ZINC000161780609 496236905 /nfs/dbraw/zinc/23/69/05/496236905.db2.gz OCICMPDKYJMKIE-FRQCXROJSA-N 2 0 364.603 3.236 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)N1CC[C@H]([NH+](CC)CC)C1)c1ccsc1 ZINC000175075359 496237570 /nfs/dbraw/zinc/23/75/70/496237570.db2.gz IDZKZBIBZAUNMV-ROUUACIJSA-N 2 0 366.575 3.257 20 0 FGADRP C[C@@H]([NH2+]CCCC[NH+]1CCN(Cc2ccccc2)CC1)c1ccncc1 ZINC000156471350 496254276 /nfs/dbraw/zinc/25/42/76/496254276.db2.gz NZXOMAHSDTWTTP-HXUWFJFHSA-N 2 0 352.526 3.330 20 0 FGADRP CCN(C(=O)c1cccc(C[NH+](C)C)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000184178972 496273602 /nfs/dbraw/zinc/27/36/02/496273602.db2.gz IYXHYBJZPMJBJE-JOCHJYFZSA-N 2 0 365.521 3.485 20 0 FGADRP CCC[NH+]1CCC(C[NH2+]C[C@H](O)Cc2ccccc2C(F)(F)F)CC1 ZINC000580769427 505834589 /nfs/dbraw/zinc/83/45/89/505834589.db2.gz PSUPKNCAKQPUCN-QGZVFWFLSA-N 2 0 358.448 3.320 20 0 FGADRP COc1ccc(C[N@H+](Cc2cccc3nccn32)[C@H](CO)C(C)C)cc1 ZINC000181153668 496290278 /nfs/dbraw/zinc/29/02/78/496290278.db2.gz FVFMXVJKECVFFB-HXUWFJFHSA-N 2 0 353.466 3.362 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)[C@@](C)([NH3+])c2ccccc2)CC1 ZINC000580776103 505835822 /nfs/dbraw/zinc/83/58/22/505835822.db2.gz MKWVOTCOIFPWKY-GCJKJVERSA-N 2 0 357.542 3.364 20 0 FGADRP Cc1cncc([C@@H](C)[NH2+]CCCN2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000184275282 496314982 /nfs/dbraw/zinc/31/49/82/496314982.db2.gz LENOAJFJSUVXEK-HXUWFJFHSA-N 2 0 352.526 3.249 20 0 FGADRP C[C@@H]1C[C@H](N(C)CC(=O)N(C)Cc2ccco2)CC[N@@H+]1Cc1ccccc1 ZINC000157078697 496401026 /nfs/dbraw/zinc/40/10/26/496401026.db2.gz NGFGKWZDPDIGKS-UYAOXDASSA-N 2 0 369.509 3.223 20 0 FGADRP C[C@@H]1C[C@@H](N(C)CC(=O)N(C)Cc2ccco2)CC[N@@H+]1Cc1ccccc1 ZINC000157079003 496401315 /nfs/dbraw/zinc/40/13/15/496401315.db2.gz NGFGKWZDPDIGKS-QUCCMNQESA-N 2 0 369.509 3.223 20 0 FGADRP O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)NC1CC[NH+](C2CCCC2)CC1 ZINC000175531598 496430005 /nfs/dbraw/zinc/43/00/05/496430005.db2.gz ZNQSMIOZBQWRQB-LJQANCHMSA-N 2 0 374.529 3.123 20 0 FGADRP CC(C)C[C@H](NC(=O)NCCN1CCC([NH+](C)C)CC1)c1ccccc1 ZINC000175545932 496436136 /nfs/dbraw/zinc/43/61/36/496436136.db2.gz PQBNPZQGEIEBLH-FQEVSTJZSA-N 2 0 360.546 3.099 20 0 FGADRP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCCC2)cc1)c1ccc(-n2cnnn2)cc1 ZINC000162942683 496438020 /nfs/dbraw/zinc/43/80/20/496438020.db2.gz HWDZVMUJCQJPKP-KRWDZBQOSA-N 2 0 362.481 3.109 20 0 FGADRP O=C(c1ccccc1Cl)N1CCC([NH2+]CCC[NH+]2CCCCC2)CC1 ZINC000178409112 496445126 /nfs/dbraw/zinc/44/51/26/496445126.db2.gz RLPKLNRAZYIFJE-UHFFFAOYSA-N 2 0 363.933 3.410 20 0 FGADRP C[C@@H]1[C@@H](C)CCC[N@@H+]1CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000172864377 496466161 /nfs/dbraw/zinc/46/61/61/496466161.db2.gz XFKCAMIANUQWPH-DLBZAZTESA-N 2 0 361.555 3.294 20 0 FGADRP C[C@H](CCNC(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1)[NH+](C)Cc1ccccc1 ZINC000175640600 496478071 /nfs/dbraw/zinc/47/80/71/496478071.db2.gz IIXLNEVKIQAZAU-GGPKGHCWSA-N 2 0 360.546 3.021 20 0 FGADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)CC(=O)N(C)Cc2cccc(Cl)c2)C1 ZINC000163214929 496482186 /nfs/dbraw/zinc/48/21/86/496482186.db2.gz IYWOJRSXHVGZOV-RDJZCZTQSA-N 2 0 351.922 3.008 20 0 FGADRP CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)C12CCCC2 ZINC000181707530 496511180 /nfs/dbraw/zinc/51/11/80/496511180.db2.gz UBRUVTDBGYROOU-FCHUYYIVSA-N 2 0 372.553 3.471 20 0 FGADRP CCCOc1ccc(C[NH2+]CC2(SC)CC[NH+](C)CC2)cc1OC ZINC000571931771 505848667 /nfs/dbraw/zinc/84/86/67/505848667.db2.gz VDZOVBBYEDJOMS-UHFFFAOYSA-N 2 0 352.544 3.401 20 0 FGADRP C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)C[C@@H]2CCC[NH2+]2)cc1 ZINC000569099879 505852801 /nfs/dbraw/zinc/85/28/01/505852801.db2.gz RBOAYUYFXNIGHQ-FQEVSTJZSA-N 2 0 351.494 3.174 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(F)cc1Cl ZINC000157665257 496525493 /nfs/dbraw/zinc/52/54/93/496525493.db2.gz DMBZTJBPBBBQOQ-HNNXBMFYSA-N 2 0 370.900 3.359 20 0 FGADRP C[NH+](C)CC[C@H](NC(=O)NC1CC[NH+](C2CCCC2)CC1)C(C)(C)C ZINC000175772873 496539790 /nfs/dbraw/zinc/53/97/90/496539790.db2.gz XLUXKLKZCVRUPR-SFHVURJKSA-N 2 0 352.567 3.059 20 0 FGADRP C[C@@H]([NH2+]CCCC[NH+]1CCN(Cc2ccccc2)CC1)c1cncc(F)c1 ZINC000163934530 496571607 /nfs/dbraw/zinc/57/16/07/496571607.db2.gz YGXKEWVVXSVQCZ-LJQANCHMSA-N 2 0 370.516 3.469 20 0 FGADRP CC[C@H]1CN(C(=O)c2cccc(C[NH+](C)C)c2)CC[N@@H+]1Cc1ccccc1 ZINC000184923856 496586142 /nfs/dbraw/zinc/58/61/42/496586142.db2.gz LHFFOOAJLACTSV-QFIPXVFZSA-N 2 0 365.521 3.485 20 0 FGADRP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000164526439 496617269 /nfs/dbraw/zinc/61/72/69/496617269.db2.gz PPXPEQRQPWTHHQ-VQTJNVASSA-N 2 0 357.542 3.278 20 0 FGADRP CCO[C@H](CC[NH+](C)C)C[NH2+]C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000166005895 496675650 /nfs/dbraw/zinc/67/56/50/496675650.db2.gz CVSVISSONJPYPG-HXUWFJFHSA-N 2 0 367.965 3.251 20 0 FGADRP Cc1ccc2c(c1)[C@@H]([NH2+]Cc1ccnc(N3CC[NH+](C)CC3)c1)CCC2 ZINC000166180462 496679751 /nfs/dbraw/zinc/67/97/51/496679751.db2.gz YYEXKOREZWPXAL-NRFANRHFSA-N 2 0 350.510 3.309 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)C1CC[NH2+]CC1)c1ccc(C(F)(F)F)cc1 ZINC000166242512 496681295 /nfs/dbraw/zinc/68/12/95/496681295.db2.gz QMOFLOCUYISKRZ-KRWDZBQOSA-N 2 0 371.447 3.204 20 0 FGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000166507230 496687587 /nfs/dbraw/zinc/68/75/87/496687587.db2.gz VVULJLDURUCGMH-YSIASYRMSA-N 2 0 374.548 3.245 20 0 FGADRP FC(F)(F)c1ccc(CN2CC[C@H]([NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)C2)cc1 ZINC000166611071 496689103 /nfs/dbraw/zinc/68/91/03/496689103.db2.gz MVBKEULSXUHSTI-CEXWTWQISA-N 2 0 367.459 3.496 20 0 FGADRP C[NH+](C)CCCOc1ccc(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)cc1 ZINC000168898049 496713312 /nfs/dbraw/zinc/71/33/12/496713312.db2.gz BFLHKYOSPHMASC-NJYVYQBISA-N 2 0 358.526 3.454 20 0 FGADRP CC[NH+](CC)Cc1ccccc1CNC(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000182254601 496720410 /nfs/dbraw/zinc/72/04/10/496720410.db2.gz HJUXFDIXFOCECR-RTWAWAEBSA-N 2 0 372.557 3.154 20 0 FGADRP CCO[C@@H]1C[C@H]([NH2+]Cc2ccccc2C[N@@H+]2CC[C@H](O)C2)C12CCCCC2 ZINC000182261766 496722713 /nfs/dbraw/zinc/72/27/13/496722713.db2.gz ZCAZHTKIXFDSLO-FDFHNCONSA-N 2 0 372.553 3.471 20 0 FGADRP C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)N(C)CCC[NH+](C)C)cc2)C1 ZINC000185320191 496728673 /nfs/dbraw/zinc/72/86/73/496728673.db2.gz FADTYEFJASSDPN-SFHVURJKSA-N 2 0 360.546 3.012 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CC[NH+](Cc3ccccc3)[C@H]2C)C[C@H]1C ZINC000574835234 505864275 /nfs/dbraw/zinc/86/42/75/505864275.db2.gz BLCFLOULYFEXIL-YXYSEUPNSA-N 2 0 372.557 3.164 20 0 FGADRP O=C(C1CC[NH+](Cc2ccccc2)CC1)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000263924890 496764904 /nfs/dbraw/zinc/76/49/04/496764904.db2.gz VDGOXHZVSNAOAN-JOCHJYFZSA-N 2 0 369.553 3.376 20 0 FGADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)CC(=O)N(C)Cc2ccccc2Cl)C1 ZINC000247073736 496771438 /nfs/dbraw/zinc/77/14/38/496771438.db2.gz OKLGWEJNJRVBAI-CVEARBPZSA-N 2 0 351.922 3.008 20 0 FGADRP COc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(N3CC[NH+](C)CC3)nc1)CCC2 ZINC000268775286 496781306 /nfs/dbraw/zinc/78/13/06/496781306.db2.gz RGMOMRCYGKGQSE-NRFANRHFSA-N 2 0 366.509 3.009 20 0 FGADRP COc1ccc2c(c1)[C@H]([NH2+]Cc1ccnc(N3CC[NH+](C)CC3)c1)CCC2 ZINC000268803218 496790610 /nfs/dbraw/zinc/79/06/10/496790610.db2.gz ZINPASZRWCANII-OAQYLSRUSA-N 2 0 366.509 3.009 20 0 FGADRP C[C@@H](C[NH2+][C@@H]1CCN(Cc2ccccn2)C[C@H]1C)N(C)c1ccccc1 ZINC000247204573 496804252 /nfs/dbraw/zinc/80/42/52/496804252.db2.gz WMUADUQRSZWPJR-XQBPLPMBSA-N 2 0 352.526 3.407 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCC1([NH+]2CCCC2)CCOCC1 ZINC000268872335 496810290 /nfs/dbraw/zinc/81/02/90/496810290.db2.gz KSNYIKBDHIEFSL-IRLDBZIGSA-N 2 0 371.569 3.132 20 0 FGADRP COCCC[C@H](C)[NH2+]Cc1cccc(OCC[N@H+](C)C2CCOCC2)c1 ZINC000268872890 496810330 /nfs/dbraw/zinc/81/03/30/496810330.db2.gz UXRLKMPIEKVVJR-SFHVURJKSA-N 2 0 364.530 3.081 20 0 FGADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)NC[C@H]2CCC[NH+](C)C2)cc1 ZINC000247240722 496813311 /nfs/dbraw/zinc/81/33/11/496813311.db2.gz VGNPQBPWTBIBBT-GHTZIAJQSA-N 2 0 372.557 3.202 20 0 FGADRP C[NH+](C)CCCN(CCC[NH+](C)C)Cc1nc2ccc(F)cc2s1 ZINC000569171445 505868228 /nfs/dbraw/zinc/86/82/28/505868228.db2.gz FLYBXHBPRLMCSD-UHFFFAOYSA-N 2 0 352.523 3.141 20 0 FGADRP CC[N@H+](Cc1ccc(C(=O)N2CCC[C@H]3C[NH+](C)CC[C@H]32)cc1)C(C)C ZINC000247300068 496829636 /nfs/dbraw/zinc/82/96/36/496829636.db2.gz OXZBWTGZCFYCAE-LEWJYISDSA-N 2 0 357.542 3.473 20 0 FGADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)NC[C@H](c2ccc(C)cc2)[NH+]2CCCC2)C1 ZINC000247355165 496842929 /nfs/dbraw/zinc/84/29/29/496842929.db2.gz PRQVPWASUYXNPC-PZJWPPBQSA-N 2 0 372.557 3.115 20 0 FGADRP C[NH+](C)[C@H](CNC(=O)c1ccc2c(ccn2CCC[NH3+])c1)c1ccsc1 ZINC000269230782 496900035 /nfs/dbraw/zinc/90/00/35/496900035.db2.gz HVGFOZROXKPZIK-LJQANCHMSA-N 2 0 370.522 3.084 20 0 FGADRP CN(c1ccc(NC(=O)C2CC[NH+](C3CC3)CC2)cc1)C1CC[NH+](C)CC1 ZINC000195368413 496903865 /nfs/dbraw/zinc/90/38/65/496903865.db2.gz UQXQQFYCZRDIQZ-UHFFFAOYSA-N 2 0 370.541 3.030 20 0 FGADRP C[C@@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)[C@H]([NH3+])c1ccccc1 ZINC000269258908 496905641 /nfs/dbraw/zinc/90/56/41/496905641.db2.gz LKYRCCYUMRGBNK-UBBRYJJRSA-N 2 0 365.521 3.349 20 0 FGADRP C[C@@H](CNC(=O)N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1)[NH+](C)C1CC1 ZINC000247977932 496937125 /nfs/dbraw/zinc/93/71/25/496937125.db2.gz LQUVSDMJUJFQJH-ROUUACIJSA-N 2 0 364.578 3.155 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1CCCNC(=O)NCCC[NH+](C)C1CCCCC1 ZINC000195619874 496954812 /nfs/dbraw/zinc/95/48/12/496954812.db2.gz CZPFYYDYLORWMV-GOSISDBHSA-N 2 0 352.567 3.205 20 0 FGADRP C[C@@H]1C[C@H]([NH2+][C@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)CCN1C ZINC000248181451 496969258 /nfs/dbraw/zinc/96/92/58/496969258.db2.gz WMXSVZGUSGDPNN-OLMNPRSZSA-N 2 0 355.448 3.352 20 0 FGADRP C[C@@H](C(=O)NCCC[NH+](Cc1ccccc1)Cc1ccccc1)[C@H](C)[NH3+] ZINC000192122567 497001711 /nfs/dbraw/zinc/00/17/11/497001711.db2.gz IYVFNRPZEKXMST-MOPGFXCFSA-N 2 0 353.510 3.178 20 0 FGADRP Fc1ccccc1-c1noc(CN2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)n1 ZINC000189126735 497016173 /nfs/dbraw/zinc/01/61/73/497016173.db2.gz XQXKMJLAQHSQCZ-RDTXWAMCSA-N 2 0 356.445 3.324 20 0 FGADRP C[C@@H](CCNC(=O)NCCCC[N@@H+]1CCC[C@H](C)C1)[NH+]1CCCCC1 ZINC000248455596 497017625 /nfs/dbraw/zinc/01/76/25/497017625.db2.gz MOUJSFBHVYUQDB-OALUTQOASA-N 2 0 352.567 3.062 20 0 FGADRP COc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000248456096 497017769 /nfs/dbraw/zinc/01/77/69/497017769.db2.gz RYJLHEYKAXBVEG-OFNKIYASSA-N 2 0 366.505 3.429 20 0 FGADRP CC(C)C[N@@H+]1CC[C@@H](C[NH2+]C[C@@H](O)COc2ccccc2C(F)(F)F)C1 ZINC000569213748 505880191 /nfs/dbraw/zinc/88/01/91/505880191.db2.gz AYOXUFVFSYGOEH-JKSUJKDBSA-N 2 0 374.447 3.013 20 0 FGADRP COc1ccccc1[C@@H](CNC(=O)c1ccc([C@H](C)[NH3+])cc1)[NH+]1CCCC1 ZINC000569216548 505881204 /nfs/dbraw/zinc/88/12/04/505881204.db2.gz LXNMMWYOPDFGGZ-OXJNMPFZSA-N 2 0 367.493 3.282 20 0 FGADRP C[NH+]1CCC([C@H]2CCN(C(=O)c3ccc(C[NH+]4CCCCC4)cc3)C2)CC1 ZINC000270226078 497081089 /nfs/dbraw/zinc/08/10/89/497081089.db2.gz NKVBFIJTDGNEAB-QFIPXVFZSA-N 2 0 369.553 3.476 20 0 FGADRP Cc1ccc2cc(C[NH2+]C3CC[NH+]([C@H]4CCCC[C@H]4O)CC3)ccc2n1 ZINC000189386645 497102181 /nfs/dbraw/zinc/10/21/81/497102181.db2.gz MQUSRRXLNWGBDA-FCHUYYIVSA-N 2 0 353.510 3.401 20 0 FGADRP C[N@H+](CCOCC(F)(F)C(F)F)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000189482907 497131886 /nfs/dbraw/zinc/13/18/86/497131886.db2.gz AUSKLDDTIGSSFW-MRXNPFEDSA-N 2 0 362.411 3.357 20 0 FGADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1ccc(OCC(F)(F)F)cc1 ZINC000274640188 497135618 /nfs/dbraw/zinc/13/56/18/497135618.db2.gz QXJSMSVOMKGGEY-CVEARBPZSA-N 2 0 373.463 3.304 20 0 FGADRP CC[NH+](CC)CCOc1ccc(NC(=O)[C@](C)([NH3+])c2ccccc2)cc1 ZINC000192514331 497136859 /nfs/dbraw/zinc/13/68/59/497136859.db2.gz LJYYXEOSCWJMRP-OAQYLSRUSA-N 2 0 355.482 3.220 20 0 FGADRP CC1CC[NH+](Cc2ccccc2CNC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)CC1 ZINC000236718651 497137591 /nfs/dbraw/zinc/13/75/91/497137591.db2.gz QZMKYEMTXQCBOB-NYVOZVTQSA-N 2 0 369.553 3.455 20 0 FGADRP OCC[NH+]1CCC(C[NH2+]CCCCc2cccc(C(F)(F)F)c2)CC1 ZINC000192540637 497143506 /nfs/dbraw/zinc/14/35/06/497143506.db2.gz XVOCLRRSKXFFNM-UHFFFAOYSA-N 2 0 358.448 3.322 20 0 FGADRP COc1ccc(C[C@H](C)C[N@@H+]2CCC[C@@H](CN3CCOCC3)C2)cc1F ZINC000249021792 497150861 /nfs/dbraw/zinc/15/08/61/497150861.db2.gz QUUFQNFJBUKVIU-HKUYNNGSSA-N 2 0 364.505 3.057 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)[C@@H]1CC12CC[NH2+]CC2)c1ccccc1Cl ZINC000236880070 497161947 /nfs/dbraw/zinc/16/19/47/497161947.db2.gz KNROYNLPIXKYFO-FUHWJXTLSA-N 2 0 363.933 3.229 20 0 FGADRP CC[NH+]1CCN(c2ccc(NC(=O)C[C@H](C)[C@H]3CCC[NH2+]C3)c(C)c2)CC1 ZINC000237009709 497180317 /nfs/dbraw/zinc/18/03/17/497180317.db2.gz ZEMHVADXUBNORF-HKUYNNGSSA-N 2 0 372.557 3.101 20 0 FGADRP CCC[N@@H+]1CC[C@H](CNC(=O)N(CC)[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000249277242 497185863 /nfs/dbraw/zinc/18/58/63/497185863.db2.gz DPWAURXDFKGFAI-RTWAWAEBSA-N 2 0 372.557 3.024 20 0 FGADRP C[N@H+](Cc1ccccc1NC(=O)C[NH2+]C[C@H]1CCCO1)C1CCCCC1 ZINC000237166937 497200530 /nfs/dbraw/zinc/20/05/30/497200530.db2.gz UJBUJQZYGWFGLF-LJQANCHMSA-N 2 0 359.514 3.158 20 0 FGADRP CC(C)[NH+]1CCN(CCC[NH2+][C@H](C)c2cccc(OC(F)F)c2)CC1 ZINC000192786346 497213767 /nfs/dbraw/zinc/21/37/67/497213767.db2.gz BZGFBDPDEUAGCI-MRXNPFEDSA-N 2 0 355.473 3.355 20 0 FGADRP COc1ccc([C@H]2[C@H](CNC(=O)CCCCCC[NH3+])CCC[N@@H+]2C)cc1 ZINC000237279555 497214898 /nfs/dbraw/zinc/21/48/98/497214898.db2.gz OEQJIHKOMZSZLC-RXVVDRJESA-N 2 0 361.530 3.104 20 0 FGADRP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)C[C@@H]([NH3+])c2ccccc2)CC1 ZINC000237408275 497232145 /nfs/dbraw/zinc/23/21/45/497232145.db2.gz YTVALSUGNPLEQN-DYESRHJHSA-N 2 0 351.494 3.418 20 0 FGADRP C[C@H](Cc1ccc(Br)cc1)[NH2+]CCCC[N@@H+]1CCC[C@H]1CO ZINC000249710875 497235093 /nfs/dbraw/zinc/23/50/93/497235093.db2.gz YDANRJTYZKXVKF-QAPCUYQASA-N 2 0 369.347 3.207 20 0 FGADRP C[C@H](CCNC(=O)CC[C@H]([NH3+])c1ccccc1)[N@H+](C)Cc1ccccc1 ZINC000237456178 497240330 /nfs/dbraw/zinc/24/03/30/497240330.db2.gz XAIRAYXSWWRYGA-NQIIRXRSSA-N 2 0 353.510 3.493 20 0 FGADRP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)CCC1CC[NH2+]CC1 ZINC000237514791 497248514 /nfs/dbraw/zinc/24/85/14/497248514.db2.gz UBIRJIAMXPDKOT-QZTJIDSGSA-N 2 0 357.542 3.039 20 0 FGADRP COCCOc1cccc(C[NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000192932207 497250750 /nfs/dbraw/zinc/25/07/50/497250750.db2.gz LDIQEAWSIGJTJY-NRFANRHFSA-N 2 0 354.494 3.324 20 0 FGADRP CC(C)(C)OC(=O)N1CCC([NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000192934844 497251015 /nfs/dbraw/zinc/25/10/15/497251015.db2.gz FTYISRLYPYVSTC-IBGZPJMESA-N 2 0 373.541 3.498 20 0 FGADRP C[C@H]([NH2+]C1(CNC(=O)[C@H]2CC23CC[NH2+]CC3)CCCC1)c1ccccc1 ZINC000237534810 497252655 /nfs/dbraw/zinc/25/26/55/497252655.db2.gz FUJAPVIRUZETMW-PKOBYXMFSA-N 2 0 355.526 3.156 20 0 FGADRP CC[N@H+](Cc1ccc(C(=O)N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc1)C(C)C ZINC000572117391 505894401 /nfs/dbraw/zinc/89/44/01/505894401.db2.gz HPXRXBAAPUHKRO-LEWJYISDSA-N 2 0 357.542 3.379 20 0 FGADRP C[C@H](CC(=O)NCc1ccccc1C[NH+]1CCCCC1)C1CC[NH2+]CC1 ZINC000237667502 497272775 /nfs/dbraw/zinc/27/27/75/497272775.db2.gz OWAMJDDEZKZJQK-GOSISDBHSA-N 2 0 357.542 3.315 20 0 FGADRP C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)[C@@H]([NH3+])c3ccccc3)cc2)C1 ZINC000237673944 497273626 /nfs/dbraw/zinc/27/36/26/497273626.db2.gz CDXRCRYCTMQLJI-UWJYYQICSA-N 2 0 351.494 3.235 20 0 FGADRP CCN(CCC[NH+](C)C)C(=O)N[C@H](C)c1ccc(-n2ccnc2C)cc1 ZINC000189890640 497282110 /nfs/dbraw/zinc/28/21/10/497282110.db2.gz VZBRLQUNWSJTKA-MRXNPFEDSA-N 2 0 357.502 3.225 20 0 FGADRP COc1ccccc1/C=C/C[NH+]1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC000271228897 497296044 /nfs/dbraw/zinc/29/60/44/497296044.db2.gz SNCIESXAMJCJGY-SOFGYWHQSA-N 2 0 357.542 3.199 20 0 FGADRP [NH3+][C@H]1CCCCCC[C@H]1C(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000237829490 497298138 /nfs/dbraw/zinc/29/81/38/497298138.db2.gz QBAQXYVWNYNKII-MOPGFXCFSA-N 2 0 361.555 3.472 20 0 FGADRP c1cn2c(n1)CC[C@H](C[NH2+][C@@H]1C[C@H]3CC[C@@H](C1)[N@H+]3Cc1ccccc1)C2 ZINC000279010219 497302421 /nfs/dbraw/zinc/30/24/21/497302421.db2.gz SUTQMPGNAUMPSO-NCYKPQTJSA-N 2 0 350.510 3.231 20 0 FGADRP [NH3+][C@H](CC(=O)NCc1ccccc1C[NH+]1CCCCC1)c1ccccc1 ZINC000237860689 497303577 /nfs/dbraw/zinc/30/35/77/497303577.db2.gz OTIVOPODTBMXLX-OAQYLSRUSA-N 2 0 351.494 3.379 20 0 FGADRP [NH3+][C@H](CCC(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1)c1ccccc1 ZINC000237925566 497314854 /nfs/dbraw/zinc/31/48/54/497314854.db2.gz PTWZJMKVEQKGBD-RTWAWAEBSA-N 2 0 351.494 3.420 20 0 FGADRP [NH3+][C@H]1CCC[C@@H](C(=O)NCC2CC[NH+](Cc3ccccc3Cl)CC2)C1 ZINC000238013798 497326899 /nfs/dbraw/zinc/32/68/99/497326899.db2.gz MDDXWVAGZAPZJL-AEFFLSMTSA-N 2 0 363.933 3.186 20 0 FGADRP C[C@H](C[NH2+]CCCc1c(Cl)cccc1Cl)CN1CC[NH+](C)CC1 ZINC000193291924 497341609 /nfs/dbraw/zinc/34/16/09/497341609.db2.gz QXMISBUQHRSBPC-OAHLLOKOSA-N 2 0 358.357 3.399 20 0 FGADRP c1cn(-c2ccccc2)nc1CC[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000572147880 505901360 /nfs/dbraw/zinc/90/13/60/505901360.db2.gz YAPJDRIXCBMUMF-GGAORHGYSA-N 2 0 374.488 3.260 20 0 FGADRP COc1cc(C)c([C@H](C)[NH2+]C2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)cc1OC ZINC000271500667 497364479 /nfs/dbraw/zinc/36/44/79/497364479.db2.gz LWAFRKYOADQCRJ-KFKAGJAMSA-N 2 0 362.514 3.041 20 0 FGADRP C[NH+](C)CCOc1cccc(C[NH2+]Cc2ccnn2-c2ccccc2)c1 ZINC000279223178 497372976 /nfs/dbraw/zinc/37/29/76/497372976.db2.gz XOHURNLNGVUSIL-UHFFFAOYSA-N 2 0 350.466 3.103 20 0 FGADRP C[C@H](C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000245202825 497376797 /nfs/dbraw/zinc/37/67/97/497376797.db2.gz WEKIVBSDYSCBAC-BRWVUGGUSA-N 2 0 361.505 3.168 20 0 FGADRP c1ccc(C[NH+](CCOCC[N@H+](Cc2ccccn2)C2CC2)C2CC2)nc1 ZINC000271557040 497381964 /nfs/dbraw/zinc/38/19/64/497381964.db2.gz PBUJEXYPXFPDDD-UHFFFAOYSA-N 2 0 366.509 3.122 20 0 FGADRP Cc1ccc(NC(=O)NC(=O)[C@@H](C)N(C)CC[C@H]2CCCC[N@@H+]2C)c(C)c1 ZINC000245450958 497414766 /nfs/dbraw/zinc/41/47/66/497414766.db2.gz PBOAGCZONKQHMI-QZTJIDSGSA-N 2 0 374.529 3.146 20 0 FGADRP O=C(NC[C@H]1CCCN(Cc2ccc(Cl)cc2Cl)C1)[C@H]1CCC[NH2+]1 ZINC000261597118 497416076 /nfs/dbraw/zinc/41/60/76/497416076.db2.gz ACGFGRHLQROYOI-CXAGYDPISA-N 2 0 370.324 3.074 20 0 FGADRP C[NH+](C)CCc1ccccc1NC(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000275738343 497417970 /nfs/dbraw/zinc/41/79/70/497417970.db2.gz YIWVOGYOSIEMFO-HXUWFJFHSA-N 2 0 368.525 3.085 20 0 FGADRP CN(C(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000261607230 497418423 /nfs/dbraw/zinc/41/84/23/497418423.db2.gz ROLSWYLQZKYVPU-JBACZVJFSA-N 2 0 355.526 3.030 20 0 FGADRP C[C@@H]1C[C@@H]1c1ccc(C[NH+]2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)o1 ZINC000572167053 505906133 /nfs/dbraw/zinc/90/61/33/505906133.db2.gz OLVJPDGOBNVKFA-XLIONFOSSA-N 2 0 373.541 3.217 20 0 FGADRP CCOc1ccc(-c2nc(CN3CC[C@](C)(C[NH3+])C3)cs2)cc1OC ZINC000261667372 497429145 /nfs/dbraw/zinc/42/91/45/497429145.db2.gz IUHROCIOODSPOP-LJQANCHMSA-N 2 0 361.511 3.388 20 0 FGADRP C[NH+](Cc1ccccc1C[N@@H+](C)[C@H]1CC[C@H](O)CC1)[C@H]1CC[C@H](O)CC1 ZINC000275872910 497453281 /nfs/dbraw/zinc/45/32/81/497453281.db2.gz NZFSUXRGOIHJTD-CHDDOINTSA-N 2 0 360.542 3.157 20 0 FGADRP C[NH+]1CCN(c2cc(C[NH2+][C@H](c3ccc(F)cc3)C3CC3)ccn2)CC1 ZINC000271878788 497478236 /nfs/dbraw/zinc/47/82/36/497478236.db2.gz SEZXPUAGPUYJKZ-NRFANRHFSA-N 2 0 354.473 3.213 20 0 FGADRP Cc1nn(Cc2ccccc2Cl)c(C)c1CN1CC[C@]2(CC[NH2+]C2)C1 ZINC000261951855 497480970 /nfs/dbraw/zinc/48/09/70/497480970.db2.gz GAKAXGXISDYRAS-FQEVSTJZSA-N 2 0 358.917 3.387 20 0 FGADRP C[NH2+]CCC1CC[NH+](CC(=O)N[C@H](c2ccccc2)C2CCCC2)CC1 ZINC000261976871 497486115 /nfs/dbraw/zinc/48/61/15/497486115.db2.gz GHGGKAHOGVJISN-JOCHJYFZSA-N 2 0 357.542 3.356 20 0 FGADRP CC[N@H+](Cc1ccc(C(=O)NC[C@H]2[NH2+]CCc3ccccc32)cc1)C1CC1 ZINC000262027302 497494746 /nfs/dbraw/zinc/49/47/46/497494746.db2.gz BBOPEWKYVZCROO-JOCHJYFZSA-N 2 0 363.505 3.288 20 0 FGADRP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000245668815 497494990 /nfs/dbraw/zinc/49/49/90/497494990.db2.gz FCTXJPYNMWFTFH-GUDVDZBRSA-N 2 0 374.529 3.075 20 0 FGADRP NC(=O)c1cccc(CC[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c1 ZINC000245692174 497503517 /nfs/dbraw/zinc/50/35/17/497503517.db2.gz KLLYGVSVRQBBMV-KOUNCHBCSA-N 2 0 363.505 3.113 20 0 FGADRP [NH3+][C@H](Cc1ccccc1)C(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000262098915 497508511 /nfs/dbraw/zinc/50/85/11/497508511.db2.gz BXZOOBUVMZUBID-UXHICEINSA-N 2 0 371.912 3.163 20 0 FGADRP C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)[C@H]([NH3+])Cc3ccccc3)cc2)C1 ZINC000262169437 497518944 /nfs/dbraw/zinc/51/89/44/497518944.db2.gz QGILKMIGPBSXKH-PGRDOPGGSA-N 2 0 365.521 3.105 20 0 FGADRP CC(C)(O)[C@@H]1CCC[NH+]1Cc1cccc(C[N@H+]2CCC[C@H]2C(C)(C)O)c1 ZINC000245744317 497525597 /nfs/dbraw/zinc/52/55/97/497525597.db2.gz FOVOMZPHHPUJDI-PMACEKPBSA-N 2 0 360.542 3.157 20 0 FGADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H]2CCc3ccc(Br)cc32)CC1 ZINC000193974648 497537663 /nfs/dbraw/zinc/53/76/63/497537663.db2.gz ZGILFXFTIUEKIA-RDTXWAMCSA-N 2 0 366.347 3.052 20 0 FGADRP C[C@@H](C[NH2+][C@H](c1ccc(Br)s1)C1CC1)N1CC[NH+](C)CC1 ZINC000190600512 497540052 /nfs/dbraw/zinc/54/00/52/497540052.db2.gz BVXASNIFBAIOQS-LRDDRELGSA-N 2 0 372.376 3.187 20 0 FGADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@H]1CCc2ccc(Br)cc21 ZINC000194005004 497546097 /nfs/dbraw/zinc/54/60/97/497546097.db2.gz YQFIDQVRQOSRNA-KDOFPFPSSA-N 2 0 366.347 3.052 20 0 FGADRP C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)[C@H]2CC[NH2+][C@@H](C)C2)C1 ZINC000262397692 497549350 /nfs/dbraw/zinc/54/93/50/497549350.db2.gz NPXKDHXMPWMTRP-VJANTYMQSA-N 2 0 357.542 3.169 20 0 FGADRP C[C@@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)c1cc(Br)cs1 ZINC000194027412 497551333 /nfs/dbraw/zinc/55/13/33/497551333.db2.gz AYQRMPVSYYQNHO-CYBMUJFWSA-N 2 0 374.392 3.435 20 0 FGADRP CCO[C@@H]1C[C@@H]([NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)C12CCCCC2 ZINC000245901364 497564762 /nfs/dbraw/zinc/56/47/62/497564762.db2.gz NXBAUEMWBHVTOS-MISYRCLQSA-N 2 0 350.547 3.205 20 0 FGADRP c1nc(-c2ccccc2)sc1C[N@@H+]1CCC[C@H](N2CCOCC2)CC1 ZINC000569355525 505915458 /nfs/dbraw/zinc/91/54/58/505915458.db2.gz PSQODDANJSWHGX-SFHVURJKSA-N 2 0 357.523 3.497 20 0 FGADRP Cc1ccc([C@@H]([NH3+])C(=O)NCC2CC[NH+](Cc3cccs3)CC2)cc1 ZINC000262612355 497583205 /nfs/dbraw/zinc/58/32/05/497583205.db2.gz CBIANDJWUSMNPK-LJQANCHMSA-N 2 0 357.523 3.085 20 0 FGADRP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+][C@H]1CCc2c1cccc2Br ZINC000245955321 497583489 /nfs/dbraw/zinc/58/34/89/497583489.db2.gz COVUWXMTGMWURE-KSSFIOAISA-N 2 0 367.331 3.263 20 0 FGADRP COc1ccccc1O[C@H](C)C[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000581125338 505915956 /nfs/dbraw/zinc/91/59/56/505915956.db2.gz OURWQDSWHRJYPV-NRJQMVOHSA-N 2 0 368.477 3.308 20 0 FGADRP CC[NH+](CC)CCN(Cc1cccs1)C(=O)C[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000262631509 497587701 /nfs/dbraw/zinc/58/77/01/497587701.db2.gz FLODNNMGJVQKAG-ROUUACIJSA-N 2 0 365.587 3.444 20 0 FGADRP O=C1[C@H](N[C@H]2CC[N@@H+]3CCC[C@H]3C2)CCN1c1ccc(Cl)c(Cl)c1 ZINC000245976278 497588205 /nfs/dbraw/zinc/58/82/05/497588205.db2.gz OUAGQJHHWGSTRQ-GDZNZVCISA-N 2 0 368.308 3.315 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)C[C@@H](C)[C@H]1CCC[NH2+]C1)c1ccsc1 ZINC000262654483 497591790 /nfs/dbraw/zinc/59/17/90/497591790.db2.gz BYGPTSFLFZTTDP-SOLBZPMBSA-N 2 0 351.560 3.273 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)C[C@H](C)[C@H]1CCC[NH2+]C1)c1ccsc1 ZINC000262654486 497592017 /nfs/dbraw/zinc/59/20/17/497592017.db2.gz BYGPTSFLFZTTDP-XYJFISCASA-N 2 0 351.560 3.273 20 0 FGADRP COC[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1ccc(Cl)cc1 ZINC000194169358 497592527 /nfs/dbraw/zinc/59/25/27/497592527.db2.gz BLOCTZJDGSQMTG-LEWJYISDSA-N 2 0 374.912 3.384 20 0 FGADRP COc1ccc([C@@H](CNC(=O)CC2(C[NH3+])CCCCC2)[NH+]2CCCC2)cc1 ZINC000262663185 497594571 /nfs/dbraw/zinc/59/45/71/497594571.db2.gz MIWFZJULMNCWDK-HXUWFJFHSA-N 2 0 373.541 3.248 20 0 FGADRP CCO[C@H]1C[C@@]([NH3+])(C(=O)Nc2ccc(C[NH+]3CCC(C)CC3)cc2)C1(C)C ZINC000262780965 497619613 /nfs/dbraw/zinc/61/96/13/497619613.db2.gz KXDQFBMPNXVSKQ-SIKLNZKXSA-N 2 0 373.541 3.390 20 0 FGADRP CCc1cccc(C[NH2+]Cc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)c1 ZINC000569370359 505918314 /nfs/dbraw/zinc/91/83/14/505918314.db2.gz XUTYQKURHPUZOU-UHFFFAOYSA-N 2 0 365.521 3.236 20 0 FGADRP CCN1CC[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H](O)CO[C@@H](C)c1ccc(Cl)cc1 ZINC000246181612 497650479 /nfs/dbraw/zinc/65/04/79/497650479.db2.gz UCEXZQBDQKVSGQ-JOCLIGHLSA-N 2 0 366.933 3.337 20 0 FGADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N(C)[C@@H]1CC[NH+](C)C[C@H]1C ZINC000246193210 497655884 /nfs/dbraw/zinc/65/58/84/497655884.db2.gz IOCZNUSWXBBTRK-YLJYHZDGSA-N 2 0 360.546 3.008 20 0 FGADRP C[NH+](C)CCN(C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)C1CCCC1 ZINC000194410324 497656812 /nfs/dbraw/zinc/65/68/12/497656812.db2.gz OBMQSMAMANCZSB-FQEVSTJZSA-N 2 0 372.557 3.024 20 0 FGADRP CC1=CCC[C@@H](C)[C@@H]1C[NH+]1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000191057398 497696104 /nfs/dbraw/zinc/69/61/04/497696104.db2.gz OMBAUARHXTZOMC-UYAOXDASSA-N 2 0 363.590 3.395 20 0 FGADRP Cc1noc(CCC[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC000272667979 497696852 /nfs/dbraw/zinc/69/68/52/497696852.db2.gz JNYLBXPIINAFQZ-HSALFYBXSA-N 2 0 354.498 3.201 20 0 FGADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)NCCC[NH+](C)C2CCCCC2)[C@@H](C)C1 ZINC000246335594 497699587 /nfs/dbraw/zinc/69/95/87/497699587.db2.gz DGUCNUIKDHHUAF-PKOBYXMFSA-N 2 0 352.567 3.013 20 0 FGADRP C[C@H](C[NH+]1CCCCC1)NC(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000246347972 497703818 /nfs/dbraw/zinc/70/38/18/497703818.db2.gz JOSYUAHWYBHFJM-AABGKKOBSA-N 2 0 364.578 3.157 20 0 FGADRP CC(=O)NC1CCC([NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000272730602 497715141 /nfs/dbraw/zinc/71/51/41/497715141.db2.gz ZRHSHRQBIXVHEK-DSKNIHGZSA-N 2 0 369.553 3.324 20 0 FGADRP CC(C)c1noc([C@@H](C)N2CCC(CC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)n1 ZINC000246388294 497717265 /nfs/dbraw/zinc/71/72/65/497717265.db2.gz PLBCVHWJVVMAAU-BRWVUGGUSA-N 2 0 364.534 3.465 20 0 FGADRP CC(C)Cn1cc(CNc2ccc(N3CCC([NH+](C)C)CC3)cn2)cn1 ZINC000272761581 497723967 /nfs/dbraw/zinc/72/39/67/497723967.db2.gz QBVBVWUDWGZHMP-UHFFFAOYSA-N 2 0 356.518 3.077 20 0 FGADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N(C)[C@H]2CC[NH+](CC)C[C@H]2C)C1 ZINC000246416182 497727155 /nfs/dbraw/zinc/72/71/55/497727155.db2.gz LJGIYJYEDGEKTM-QRVBRYPASA-N 2 0 366.594 3.259 20 0 FGADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)N[C@H]2C[C@H](C)[NH+](Cc3ccccc3)C2)C1 ZINC000246472715 497746250 /nfs/dbraw/zinc/74/62/50/497746250.db2.gz GVCFRNLCZQRFRE-TYPHKJRUSA-N 2 0 372.557 3.069 20 0 FGADRP C[NH+](C)CCOc1ccc(NC(=O)[C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)cc1Cl ZINC000263296162 497752107 /nfs/dbraw/zinc/75/21/07/497752107.db2.gz XZJPCNMRTNBIGH-XYPHTWIQSA-N 2 0 365.905 3.140 20 0 FGADRP CC[NH+]1CCN(c2ccc(NC(=O)[C@H]([NH3+])c3ccc(C)cc3)c(C)c2)CC1 ZINC000280435000 497752726 /nfs/dbraw/zinc/75/27/26/497752726.db2.gz BMIRRDVWUYNAQL-OAQYLSRUSA-N 2 0 366.509 3.084 20 0 FGADRP C[C@H](C(=O)NCc1ccccc1Cl)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000194738364 497755215 /nfs/dbraw/zinc/75/52/15/497755215.db2.gz NPARZYHLMKAQOV-MRXNPFEDSA-N 2 0 363.933 3.153 20 0 FGADRP CC(C)[C@H](NC(=O)CN1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)c1ccccc1 ZINC000246567087 497776463 /nfs/dbraw/zinc/77/64/63/497776463.db2.gz LGRNIWPLSVYCLM-RRPUWOKSSA-N 2 0 369.553 3.449 20 0 FGADRP C[C@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000246639877 497793444 /nfs/dbraw/zinc/79/34/44/497793444.db2.gz ZIVGHUBOVUOKPU-TWHPPBISSA-N 2 0 357.542 3.417 20 0 FGADRP C[NH+](C)C[C@H](NC(=O)Nc1ccc2c(c1)C[NH2+]C2)c1ccc(Cl)cc1 ZINC000581239977 505941071 /nfs/dbraw/zinc/94/10/71/505941071.db2.gz ULRFSUXCUSPKMZ-SFHVURJKSA-N 2 0 358.873 3.368 20 0 FGADRP C[NH+](C)CCCCNC(=O)c1cccc(C[N@H+](C)Cc2ccccc2)c1 ZINC000299690055 497897238 /nfs/dbraw/zinc/89/72/38/497897238.db2.gz ZEFFVKQJEXYBAK-UHFFFAOYSA-N 2 0 353.510 3.390 20 0 FGADRP C[C@H]([NH2+]CCc1cnc(C2CC2)nc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000364357380 497917547 /nfs/dbraw/zinc/91/75/47/497917547.db2.gz RMQPRXLNLIHJDV-UWJYYQICSA-N 2 0 350.510 3.397 20 0 FGADRP C[NH+]1CCC(CC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)CC1 ZINC000292263464 497944601 /nfs/dbraw/zinc/94/46/01/497944601.db2.gz TVBGEZBBZRMUJU-YADHBBJMSA-N 2 0 369.553 3.231 20 0 FGADRP Cc1cccc(N2CC[NH+](CCCC[NH2+][C@@H]3C[C@@H](C)n4ccnc43)CC2)c1 ZINC000296186268 497948677 /nfs/dbraw/zinc/94/86/77/497948677.db2.gz YIAFMAOJOXFVRB-TZIWHRDSSA-N 2 0 367.541 3.389 20 0 FGADRP CC(C)C[C@H](CNC(=O)N1CCC[C@H](C[NH3+])C1)[NH2+][C@H](C)c1ccccc1 ZINC000581299838 505955524 /nfs/dbraw/zinc/95/55/24/505955524.db2.gz KFNPEMYGDXBDAS-QWFCFKBJSA-N 2 0 360.546 3.132 20 0 FGADRP C[C@@H]([NH2+]Cc1ccc(OCC[NH+](C)C)cc1)c1ccc(C(=O)N(C)C)cc1 ZINC000292353544 497983035 /nfs/dbraw/zinc/98/30/35/497983035.db2.gz YIBFZYHXXSHLTH-QGZVFWFLSA-N 2 0 369.509 3.180 20 0 FGADRP C[C@@H]([NH2+]CCC(=O)N1CCc2ccccc21)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000285218667 498025713 /nfs/dbraw/zinc/02/57/13/498025713.db2.gz XKUQPDYAFXFGMU-MJGOQNOKSA-N 2 0 355.526 3.208 20 0 FGADRP OC1CC[NH+](Cc2ccc(C[NH2+][C@H](c3cncc(F)c3)C3CC3)cc2)CC1 ZINC000281122820 498027554 /nfs/dbraw/zinc/02/75/54/498027554.db2.gz DKAFKGIGBIWTGP-QFIPXVFZSA-N 2 0 369.484 3.418 20 0 FGADRP CN1CC[NH+](CC2CC[NH+](Cc3ccc(-c4ccccc4)o3)CC2)CC1 ZINC000289181676 498048860 /nfs/dbraw/zinc/04/88/60/498048860.db2.gz AORDJGLUUJUNCX-UHFFFAOYSA-N 2 0 353.510 3.406 20 0 FGADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N2CCC(C[NH+](C)C(C)C)CC2)C1 ZINC000569543512 505959038 /nfs/dbraw/zinc/95/90/38/505959038.db2.gz URZFRNMOBMUPKX-HXUWFJFHSA-N 2 0 366.594 3.116 20 0 FGADRP C[C@@H](OC[C@@H](O)C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C)c1ccc(Cl)cc1 ZINC000285410762 498075493 /nfs/dbraw/zinc/07/54/93/498075493.db2.gz FVIILVIDBNXKGS-YSXQTRAESA-N 2 0 366.933 3.336 20 0 FGADRP O=C(CCN1CCCC[C@@H]1[C@H]1CCC[NH2+]1)Nc1ccc(Cl)cc1F ZINC000572467980 505975782 /nfs/dbraw/zinc/97/57/82/505975782.db2.gz RMLFKYQVPFQXPZ-IAGOWNOFSA-N 2 0 353.869 3.414 20 0 FGADRP CN(CCC[N@H+](C)C[C@H]1CCN(C(=O)c2ccccc2)C1)Cc1ccco1 ZINC000285463150 498093082 /nfs/dbraw/zinc/09/30/82/498093082.db2.gz AIPHNBHBIOHDAX-LJQANCHMSA-N 2 0 369.509 3.196 20 0 FGADRP CC(C)(C)[N@@H+]1CCCN(C(=O)C[C@H](c2ncc[nH]2)c2ccccc2)CC1 ZINC000572477287 505978408 /nfs/dbraw/zinc/97/84/08/505978408.db2.gz DMTONJGEAJZYBX-SFHVURJKSA-N 2 0 354.498 3.265 20 0 FGADRP C[N@@H+]1CCC[C@H](CC[NH2+]C[C@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000578619157 505982819 /nfs/dbraw/zinc/98/28/19/505982819.db2.gz BZQVKNOJIXLCQL-KGLIPLIRSA-N 2 0 361.313 3.055 20 0 FGADRP C([C@H]1CCCOC1)[N@@H+]1CCC[C@@]2(CCC[NH+](C[C@@H]3CCCOC3)C2)C1 ZINC000575611448 505983704 /nfs/dbraw/zinc/98/37/04/505983704.db2.gz DWTMWJGTHLFWTG-QHAWAJNXSA-N 2 0 350.547 3.018 20 0 FGADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)N[C@]2(C)CC[NH+](Cc3ccccc3)C2)C1 ZINC000578633187 505985416 /nfs/dbraw/zinc/98/54/16/505985416.db2.gz GBYQOEROLRMUSX-IFMALSPDSA-N 2 0 372.557 3.071 20 0 FGADRP C[C@H]1CCN(C(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)C[C@@H]1C[NH3+] ZINC000569676637 505990697 /nfs/dbraw/zinc/99/06/97/505990697.db2.gz ZHAJROGUIVAXPE-RXVVDRJESA-N 2 0 372.557 3.189 20 0 FGADRP C[N@@H+]1CC[C@@]2(CCN(Cc3cn(-c4ccccc4)nc3-c3cccnc3)C2)C1 ZINC000292865216 498175461 /nfs/dbraw/zinc/17/54/61/498175461.db2.gz VSHSFYSMPYKOHM-HSZRJFAPSA-N 2 0 373.504 3.462 20 0 FGADRP O[C@H]1CC[N@H+](Cc2ccccc2C[NH2+][C@H](c2cncc(F)c2)C2CC2)C1 ZINC000281517031 498178197 /nfs/dbraw/zinc/17/81/97/498178197.db2.gz HOBXHGJCUMRCGA-SFTDATJTSA-N 2 0 355.457 3.028 20 0 FGADRP Cc1ncc(CN2CC[C@@H]([NH2+]CC(=O)Nc3cccc(C)c3)[C@@H](C)C2)s1 ZINC000364899284 498198031 /nfs/dbraw/zinc/19/80/31/498198031.db2.gz XNBSOFOTVIDSLO-HNAYVOBHSA-N 2 0 372.538 3.199 20 0 FGADRP C[N@@H+]1CC[C@@H](NC(=O)c2ccc(C[NH+]3CCCC3)cc2)[C@@H]1c1ccccc1 ZINC000569701031 505996960 /nfs/dbraw/zinc/99/69/60/505996960.db2.gz QJBPXSUOFMEZEE-YADHBBJMSA-N 2 0 363.505 3.458 20 0 FGADRP CCN(CC)C(=O)C[N@@H+]1CCCN(c2cc(C)[nH+]c3ccc(F)cc32)CC1 ZINC000301687572 498224514 /nfs/dbraw/zinc/22/45/14/498224514.db2.gz VCBBYGVDQNLPAJ-UHFFFAOYSA-N 2 0 372.488 3.063 20 0 FGADRP C[C@@]1([NH3+])CCCC[C@@H]1C(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000569720723 506000779 /nfs/dbraw/zinc/00/07/79/506000779.db2.gz ROJPUFHVKJCKOQ-IFMALSPDSA-N 2 0 369.553 3.409 20 0 FGADRP O[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@H]2CCCc3nc(Cl)ccc32)CC1 ZINC000296907044 498246922 /nfs/dbraw/zinc/24/69/22/498246922.db2.gz PFNQDVUNKDTFGO-YTQUADARSA-N 2 0 363.933 3.470 20 0 FGADRP CC[C@H](C)[NH2+][C@H](CNC(=O)[C@H]1CCC[N@@H+]1Cc1ccccc1)c1ccco1 ZINC000575777142 506003190 /nfs/dbraw/zinc/00/31/90/506003190.db2.gz NOBIQTUSAVRAKL-DFQSSKMNSA-N 2 0 369.509 3.490 20 0 FGADRP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)c1ccc2c(c1)OCC(=O)N2 ZINC000285990246 498260996 /nfs/dbraw/zinc/26/09/96/498260996.db2.gz GZFYWWXVFCHEGJ-YQQAZPJKSA-N 2 0 357.498 3.321 20 0 FGADRP CN(CC[N@H+](C)Cc1cccc(-c2cccnc2)c1)C1CC[NH+](C)CC1 ZINC000289804413 498300437 /nfs/dbraw/zinc/30/04/37/498300437.db2.gz NACGCZGNJZXOJF-UHFFFAOYSA-N 2 0 352.526 3.206 20 0 FGADRP CCc1cc2c(ncnc2N2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)s1 ZINC000301878987 498308064 /nfs/dbraw/zinc/30/80/64/498308064.db2.gz ZHGLOQQLCRVSGR-XYPWUTKMSA-N 2 0 371.554 3.001 20 0 FGADRP CC(C)C[NH+]1CCC([NH2+]C[C@@H](O)CO[C@H]2CCCc3ccccc32)CC1 ZINC000578759144 506014581 /nfs/dbraw/zinc/01/45/81/506014581.db2.gz RPGYYXMDQCTZTP-IRLDBZIGSA-N 2 0 360.542 3.152 20 0 FGADRP CCC[N@H+](C)[C@@H](CNC(=O)CCc1cncn1C)c1ccc(Cl)cc1 ZINC000286247411 498338383 /nfs/dbraw/zinc/33/83/83/498338383.db2.gz GUOOQUHYNUJOHZ-SFHVURJKSA-N 2 0 362.905 3.205 20 0 FGADRP C[C@H](C(=O)NC1CC[NH+](Cc2ccsc2)CC1)[C@@H]([NH3+])c1ccccc1 ZINC000361723457 498422402 /nfs/dbraw/zinc/42/24/02/498422402.db2.gz QCPZNHJCUUUMAA-HNAYVOBHSA-N 2 0 357.523 3.165 20 0 FGADRP CC(C)N1CC[C@@H](NC(=O)[C@H](C)[NH2+]C2CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000572718612 506035557 /nfs/dbraw/zinc/03/55/57/506035557.db2.gz MOCCKQHQUMEGDD-JBBXEZCESA-N 2 0 367.896 3.260 20 0 FGADRP CC[NH+]1CCC(C[NH2+]C2CCN(C(=O)c3ccccc3Cl)CC2)CC1 ZINC000569882689 506037412 /nfs/dbraw/zinc/03/74/12/506037412.db2.gz QCIYVHOSSCGRQE-UHFFFAOYSA-N 2 0 363.933 3.266 20 0 FGADRP C[C@@H](Cc1ccc(O)cc1)[NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1 ZINC000293744182 498475198 /nfs/dbraw/zinc/47/51/98/498475198.db2.gz XMOLWAMKQDVVKI-KRWDZBQOSA-N 2 0 354.494 3.070 20 0 FGADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)N(C)[C@@H](c2ncc[nH]2)c2ccccc2)C1 ZINC000297526652 498481624 /nfs/dbraw/zinc/48/16/24/498481624.db2.gz DDNCJSDWNLOOET-IEBWSBKVSA-N 2 0 369.513 3.261 20 0 FGADRP Cc1ncc(C[NH2+]C2CCN(c3nccs3)CC2)n1-c1ccccc1 ZINC000282367318 498483116 /nfs/dbraw/zinc/48/31/16/498483116.db2.gz WQYGKGDKZANNNX-UHFFFAOYSA-N 2 0 353.495 3.396 20 0 FGADRP COc1cc([C@@H](C)[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)ccc1SC ZINC000282426998 498506327 /nfs/dbraw/zinc/50/63/27/498506327.db2.gz SWWILQVZILXVQO-OAHLLOKOSA-N 2 0 351.560 3.094 20 0 FGADRP CC(=O)N1CCC[C@@H](C[NH2+][C@@H]2CCN(Cc3ccccc3)C3(CC3)C2)C1 ZINC000578890940 506045672 /nfs/dbraw/zinc/04/56/72/506045672.db2.gz BWDKPFXJJFTMAO-LEWJYISDSA-N 2 0 355.526 3.032 20 0 FGADRP COc1cccc2c1CC[C@@H]2[NH2+]Cc1ccncc1OCCC[NH+](C)C ZINC000290356528 498522136 /nfs/dbraw/zinc/52/21/36/498522136.db2.gz QKUSEEUYRROBKK-IBGZPJMESA-N 2 0 355.482 3.198 20 0 FGADRP O[C@H](C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)COc1ccccc1 ZINC000575982688 506048327 /nfs/dbraw/zinc/04/83/27/506048327.db2.gz WTPHULGTZYKEEA-YUMYIRISSA-N 2 0 366.505 3.212 20 0 FGADRP CCOc1cc(C[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H]2CO)ccc1O ZINC000297691341 498538289 /nfs/dbraw/zinc/53/82/89/498538289.db2.gz PWOKZUAEYOGALZ-FQEVSTJZSA-N 2 0 370.493 3.037 20 0 FGADRP CCC1(CNC(=O)N[C@@H]2CC[NH2+][C@H](C)C2)CC[NH+](Cc2ccccc2)CC1 ZINC000581716048 506051669 /nfs/dbraw/zinc/05/16/69/506051669.db2.gz YFBWDMWGSWLGQB-UYAOXDASSA-N 2 0 372.557 3.119 20 0 FGADRP Cc1cc(N2CCC[C@@H]([NH2+]C3CC[NH+](C4CCCCC4)CC3)C2)n(C)n1 ZINC000365587640 498545587 /nfs/dbraw/zinc/54/55/87/498545587.db2.gz QJCYJAODWRCACM-LJQANCHMSA-N 2 0 359.562 3.084 20 0 FGADRP CN1CC[C@@H](Nc2cc(NCC3CC3)ncn2)[C@@H]1c1ccc(F)c(F)c1 ZINC000302816757 498586211 /nfs/dbraw/zinc/58/62/11/498586211.db2.gz ILMVOCMWIVBGGQ-APWZRJJASA-N 2 0 359.424 3.434 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)NCc2ccc3c[nH+]cn3c2)C1 ZINC000297972830 498625967 /nfs/dbraw/zinc/62/59/67/498625967.db2.gz XLIIHCPDGHSCBC-MJGOQNOKSA-N 2 0 369.513 3.130 20 0 FGADRP CCS(=O)(=O)c1ccc([C@@H](C)[NH2+]C2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000298008984 498636795 /nfs/dbraw/zinc/63/67/95/498636795.db2.gz CABXHCZXMUDFIA-MRXNPFEDSA-N 2 0 373.522 3.195 20 0 FGADRP C[C@@H]1CCC[C@](CNC(=O)NCCCC[N@@H+]2CCCC[C@H]2C)([NH+](C)C)C1 ZINC000303027043 498641886 /nfs/dbraw/zinc/64/18/86/498641886.db2.gz SMBDCPJETQYRGQ-SBHAEUEKSA-N 2 0 366.594 3.451 20 0 FGADRP C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000298046135 498648763 /nfs/dbraw/zinc/64/87/63/498648763.db2.gz IBFPQUSDUUMSQR-LPHOPBHVSA-N 2 0 374.529 3.286 20 0 FGADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000303462659 498678983 /nfs/dbraw/zinc/67/89/83/498678983.db2.gz LVIDNEIKQBCBCA-PMACEKPBSA-N 2 0 364.578 3.158 20 0 FGADRP C[N@H+](Cc1ccccc1)[C@@H]1CCCN(C(=O)CC2CC[NH+](C)CC2)CC1 ZINC000365873962 498681477 /nfs/dbraw/zinc/68/14/77/498681477.db2.gz FFUHDFYJBUMTAA-OAQYLSRUSA-N 2 0 357.542 3.231 20 0 FGADRP O=C1COc2ccc(C[NH2+]CC3CC[NH+](Cc4ccccc4)CC3)cc2N1 ZINC000294399866 498682931 /nfs/dbraw/zinc/68/29/31/498682931.db2.gz VVZSQZMJDJDXPU-UHFFFAOYSA-N 2 0 365.477 3.019 20 0 FGADRP O=C(CC[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)Nc1cccc(C(F)(F)F)c1 ZINC000572881717 506074352 /nfs/dbraw/zinc/07/43/52/506074352.db2.gz FNHPDYFFGXFZRD-HUUCEWRRSA-N 2 0 369.431 3.356 20 0 FGADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)NCc1cccc(C[NH+](C)CC)c1 ZINC000303685849 498705357 /nfs/dbraw/zinc/70/53/57/498705357.db2.gz ZWZNPVUYUCHEPI-FQEVSTJZSA-N 2 0 360.546 3.202 20 0 FGADRP Cc1nc2ccccc2n1CCCNC(=O)N1CC[C@H]([NH+]2CCCC2)[C@@H]1C ZINC000287324414 498717213 /nfs/dbraw/zinc/71/72/13/498717213.db2.gz XTBSUTSNAFAWCZ-LPHOPBHVSA-N 2 0 369.513 3.003 20 0 FGADRP CC(C)[C@@H](C[NH2+]Cc1cc(Cl)sc1Cl)N1CC[NH+](C)CC1 ZINC000312612121 498761357 /nfs/dbraw/zinc/76/13/57/498761357.db2.gz KFEHDQDYZGVZTC-CYBMUJFWSA-N 2 0 350.359 3.417 20 0 FGADRP CSc1ccc([C@@H](CNC(=O)c2ccc3c[nH+]cn3c2)[NH+](C)C)cc1 ZINC000581905876 506086362 /nfs/dbraw/zinc/08/63/62/506086362.db2.gz BLSSLXHVSLTCRE-GOSISDBHSA-N 2 0 354.479 3.089 20 0 FGADRP C[S@](=O)C1(C[NH2+][C@@H]2CCCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000287468104 498767519 /nfs/dbraw/zinc/76/75/19/498767519.db2.gz MFVNMPVFKIZHFM-MIOZMULLSA-N 2 0 360.567 3.178 20 0 FGADRP COc1ccc(C[C@@H](C)[NH2+]C2CCN(c3cc[nH+]cc3)CC2)cc1OC ZINC000298460563 498778562 /nfs/dbraw/zinc/77/85/62/498778562.db2.gz OFXXSSUKEWGAHV-MRXNPFEDSA-N 2 0 355.482 3.288 20 0 FGADRP C[NH+](C)CCOc1ccccc1C[NH2+]C1CCN(CCC(F)(F)F)CC1 ZINC000291069642 498781091 /nfs/dbraw/zinc/78/10/91/498781091.db2.gz DZTKBXPPWQSOHY-UHFFFAOYSA-N 3 0 373.463 3.133 20 0 FGADRP CN(C(=O)NC[C@H]1CCCC[N@@H+]1C1CC1)[C@@H](c1ncc[nH]1)c1ccccc1 ZINC000579082872 506089701 /nfs/dbraw/zinc/08/97/01/506089701.db2.gz HQTGOKFCXBEXCH-RTBURBONSA-N 2 0 367.497 3.157 20 0 FGADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]CCCCCNC(=O)OCc1ccccc1 ZINC000287643942 498824143 /nfs/dbraw/zinc/82/41/43/498824143.db2.gz USMNTJQGVLKRIV-QWFCFKBJSA-N 2 0 361.530 3.401 20 0 FGADRP [NH3+]CCCOC1CC[NH+](CCC(=O)Nc2c(Cl)cccc2Cl)CC1 ZINC000325320712 498836266 /nfs/dbraw/zinc/83/62/66/498836266.db2.gz CIGGCBMKKIUYMV-UHFFFAOYSA-N 2 0 374.312 3.152 20 0 FGADRP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)N2CCC(C[NH+](C)C)CC2)CC1 ZINC000363547136 498872771 /nfs/dbraw/zinc/87/27/71/498872771.db2.gz QTKOIRRPGUKLKI-SFHVURJKSA-N 2 0 372.557 3.195 20 0 FGADRP C[C@H](NCc1ncc(C(F)(F)F)cn1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000295040319 498889109 /nfs/dbraw/zinc/88/91/09/498889109.db2.gz ORURJRCVTKOSTA-HOCLYGCPSA-N 2 0 364.415 3.496 20 0 FGADRP CC[NH+]1CCN(Cc2ccccc2C[NH2+][C@@H](C)c2ccnc(OC)c2)CC1 ZINC000570175817 506108757 /nfs/dbraw/zinc/10/87/57/506108757.db2.gz LZZBHJWJCNRUCS-SFHVURJKSA-N 2 0 368.525 3.079 20 0 FGADRP Cc1cccc(CCC(=O)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)c1 ZINC000581997535 506109477 /nfs/dbraw/zinc/10/94/77/506109477.db2.gz YPRURYZTZGUYNM-UHFFFAOYSA-N 2 0 365.521 3.037 20 0 FGADRP C[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)c1ccc(OCc2nccn2C)cc1 ZINC000576268683 506117156 /nfs/dbraw/zinc/11/71/56/506117156.db2.gz YFMFGEYGRBOWDD-DSLXNQLJSA-N 2 0 354.498 3.038 20 0 FGADRP C(C[N@@H+]1CCC[C@@]2(CCC[NH+](CC[C@@H]3CCCO3)C2)C1)[C@H]1CCCO1 ZINC000579217072 506122191 /nfs/dbraw/zinc/12/21/91/506122191.db2.gz ZQYJXZQOERKYKK-QHAWAJNXSA-N 2 0 350.547 3.303 20 0 FGADRP Cc1nn(C)c(N2CCC[N@H+](C)CC2)c1C[NH2+][C@@H](C)c1cccc(C)c1C ZINC000363785204 498990850 /nfs/dbraw/zinc/99/08/50/498990850.db2.gz OJTJARHPLXYJHW-SFHVURJKSA-N 2 0 369.557 3.338 20 0 FGADRP CNC(=O)C1CCC([NH2+]C2CCC([N@H+](C)Cc3ccccc3)CC2)CC1 ZINC000284004306 499028443 /nfs/dbraw/zinc/02/84/43/499028443.db2.gz HWGVIUJOMVRYRE-UHFFFAOYSA-N 2 0 357.542 3.324 20 0 FGADRP C[C@H](NC(=O)N1CC(C)(C)[C@@H]1c1nccn1C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000333616982 499043392 /nfs/dbraw/zinc/04/33/92/499043392.db2.gz OZXDUBJTRMHFKJ-JZXOWHBKSA-N 2 0 373.545 3.166 20 0 FGADRP CC1CC[NH+](Cc2ccc(CNC(=O)c3ccccc3CC[NH3+])cc2)CC1 ZINC000579253097 506129768 /nfs/dbraw/zinc/12/97/68/506129768.db2.gz QQHGDUJKRNHDBA-UHFFFAOYSA-N 2 0 365.521 3.350 20 0 FGADRP CC[N@@H+]1CCC[C@@H](CN(C)CCC[NH+]2CCCCC2)[C@@H]1c1cnn(C)c1 ZINC000364142756 499123091 /nfs/dbraw/zinc/12/30/91/499123091.db2.gz LLJVTIOOKBSIGS-PZJWPPBQSA-N 3 0 361.578 3.001 20 0 FGADRP C[C@@H](C(=O)NC1CCC(C)CC1)[N@H+](C)C1CCN(Cc2ccncc2)CC1 ZINC000367116839 499150818 /nfs/dbraw/zinc/15/08/18/499150818.db2.gz IQTJPVUBAAADKP-FDYSRKEFSA-N 2 0 372.557 3.061 20 0 FGADRP OC[C@@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+]C1CCC2(CCCO2)CC1 ZINC000372688096 499161127 /nfs/dbraw/zinc/16/11/27/499161127.db2.gz AIJZEFZYNQLULQ-ORFBVSJDSA-N 2 0 358.526 3.225 20 0 FGADRP OC1CC[NH+](Cc2ccc(C[NH2+]C3CC(c4ccccn4)C3)cc2)CC1 ZINC000367308234 499178331 /nfs/dbraw/zinc/17/83/31/499178331.db2.gz OBAYYGOBQRQKHH-UHFFFAOYSA-N 2 0 351.494 3.074 20 0 FGADRP CCN(C(=O)C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1)[C@H](C)c1ccc(F)cc1 ZINC000576346443 506136414 /nfs/dbraw/zinc/13/64/14/506136414.db2.gz OXAINAPSUHOVQD-APWZRJJASA-N 2 0 361.505 3.057 20 0 FGADRP C[C@@H]1CCC[N@@H+]1C1CCN(CCC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000367551731 499211576 /nfs/dbraw/zinc/21/15/76/499211576.db2.gz AQVCDDUXALUWOJ-OAQYLSRUSA-N 2 0 370.585 3.147 20 0 FGADRP C[NH+](C)Cc1cccc(C(=O)N2CCC[C@@H]([NH2+]Cc3ccccc3)C2)c1 ZINC000370386401 499215484 /nfs/dbraw/zinc/21/54/84/499215484.db2.gz LPUADQVYJYKTDY-OAQYLSRUSA-N 2 0 351.494 3.143 20 0 FGADRP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(NC(=O)c3ccco3)cc2)[C@H]2CCC[C@@H]21 ZINC000367617749 499218407 /nfs/dbraw/zinc/21/84/07/499218407.db2.gz RFOQIXKTHNMDRD-QYZOEREBSA-N 2 0 353.466 3.494 20 0 FGADRP C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C[C@@]2(C)CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000367702036 499226507 /nfs/dbraw/zinc/22/65/07/499226507.db2.gz LNXSFSNLSRMDSI-SQGPQFPESA-N 2 0 351.535 3.050 20 0 FGADRP c1ncn(Cc2ccc(C[NH2+]C3CC[NH+](C4CCCCC4)CC3)cc2)n1 ZINC000370578406 499233100 /nfs/dbraw/zinc/23/31/00/499233100.db2.gz XMXIUUCTKHZYOI-UHFFFAOYSA-N 2 0 353.514 3.213 20 0 FGADRP CCN1CC[C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000367792676 499234058 /nfs/dbraw/zinc/23/40/58/499234058.db2.gz ORQXJMYFFRRZCL-DZJHOTPTSA-N 2 0 367.459 3.456 20 0 FGADRP C[C@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccc(OC(F)F)cc1 ZINC000370636890 499238242 /nfs/dbraw/zinc/23/82/42/499238242.db2.gz SLDDWLSHAIDRHL-GOEBONIOSA-N 2 0 353.457 3.107 20 0 FGADRP C[C@@H](NC(=O)NCCCC[NH+]1CCCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000367932439 499247023 /nfs/dbraw/zinc/24/70/23/499247023.db2.gz RZXHESKHUDHUEN-TZIWHRDSSA-N 2 0 372.557 3.072 20 0 FGADRP C[C@@H](C(=O)NC1CC[NH+](C2CCC(C)CC2)CC1)[C@H]([NH3+])c1ccccc1 ZINC000370763713 499252713 /nfs/dbraw/zinc/25/27/13/499252713.db2.gz OBNVOHZIMAJAFX-YPTYLKSTSA-N 2 0 357.542 3.482 20 0 FGADRP COc1ccc(F)cc1C[NH2+]CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000368233087 499276451 /nfs/dbraw/zinc/27/64/51/499276451.db2.gz VUHWFXOMHKTLFL-UHFFFAOYSA-N 2 0 363.521 3.120 20 0 FGADRP Cc1cc(NC(=O)N2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)c(C)cn1 ZINC000368241467 499277387 /nfs/dbraw/zinc/27/73/87/499277387.db2.gz OATSNAYGRGRNCG-WOJBJXKFSA-N 2 0 364.493 3.106 20 0 FGADRP FC(F)Cn1cc(C[NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)cn1 ZINC000368319274 499284989 /nfs/dbraw/zinc/28/49/89/499284989.db2.gz WEBZPDWQGDFRRT-CEXWTWQISA-N 2 0 360.452 3.148 20 0 FGADRP CO[C@H](C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21)c1ccc(Cl)cc1 ZINC000368480903 499300446 /nfs/dbraw/zinc/30/04/46/499300446.db2.gz CRQJTDWZULFYFJ-NCXUSEDFSA-N 2 0 352.906 3.211 20 0 FGADRP C[C@@H](CCc1ccc(O)cc1)[NH2+]CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000368494027 499301415 /nfs/dbraw/zinc/30/14/15/499301415.db2.gz KUAAAOCGRMAUDS-IBGZPJMESA-N 2 0 373.585 3.499 20 0 FGADRP C[C@]1(CN[C@H](c2ncc[nH]2)c2ccncc2)CC[N@H+](Cc2ccccc2)C1 ZINC000368529489 499304852 /nfs/dbraw/zinc/30/48/52/499304852.db2.gz BTTBGNQKMZTVAZ-RBBKRZOGSA-N 2 0 361.493 3.396 20 0 FGADRP Cc1cn2c(n1)[C@@H](CNC(=O)c1ccc(C[NH+]3CCCC3)cc1)CCC2 ZINC000371294688 499306703 /nfs/dbraw/zinc/30/67/03/499306703.db2.gz MLUOGJVHCUTIID-LJQANCHMSA-N 2 0 352.482 3.095 20 0 FGADRP Cc1cccc(C)c1OCCC[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000371302989 499307738 /nfs/dbraw/zinc/30/77/38/499307738.db2.gz LXUAVRRDRQQFBO-RTWAWAEBSA-N 2 0 359.558 3.030 20 0 FGADRP C[NH+]1CCC2(CCCN2C(=O)c2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000371315706 499309313 /nfs/dbraw/zinc/30/93/13/499309313.db2.gz VXGBFVRAKMGGAL-UHFFFAOYSA-N 2 0 355.526 3.373 20 0 FGADRP CN(C(=O)CC[NH+]1CCC2(C[C@H]2C[N@H+](C)C2CC2)CC1)c1ccccc1 ZINC000371320322 499309967 /nfs/dbraw/zinc/30/99/67/499309967.db2.gz BMVKEEDACIALOI-SFHVURJKSA-N 2 0 355.526 3.236 20 0 FGADRP C[C@H]1C[C@@H](C(=O)N2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)CC[N@@H+]1C ZINC000368687124 499321886 /nfs/dbraw/zinc/32/18/86/499321886.db2.gz IORBPWQTAAVGBL-RRPUWOKSSA-N 2 0 369.553 3.231 20 0 FGADRP CC[N@@H+]1CCC[C@@H](NC(=O)C2CC[NH+](Cc3ccc(Cl)s3)CC2)C1 ZINC000368783826 499332404 /nfs/dbraw/zinc/33/24/04/499332404.db2.gz BNFNFGAZIVBUOB-OAHLLOKOSA-N 2 0 369.962 3.214 20 0 FGADRP C[C@H]([NH2+]C[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1)c1ccc(-n2cnnn2)cc1 ZINC000371514895 499336852 /nfs/dbraw/zinc/33/68/52/499336852.db2.gz QTEMSFAKMBODGT-LDQXTDLNSA-N 2 0 362.481 3.006 20 0 FGADRP C[C@@H](NC(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1)C1=CC[N@H+](C)CC1 ZINC000371589705 499345277 /nfs/dbraw/zinc/34/52/77/499345277.db2.gz VCRXYXKOFOINAZ-MSOLQXFVSA-N 2 0 370.541 3.162 20 0 FGADRP C[NH+](C)CCOc1ccccc1C[NH2+][C@@H]1CCC(=O)Nc2ccc(F)cc21 ZINC000371725669 499359482 /nfs/dbraw/zinc/35/94/82/499359482.db2.gz DRRVUBZJNIBQMF-GOSISDBHSA-N 2 0 371.456 3.329 20 0 FGADRP COc1ccc(C[C@@H]2CCC[N@@H+]2CCCN2CC[NH+](C(C)C)CC2)cc1 ZINC000369106849 499366099 /nfs/dbraw/zinc/36/60/99/499366099.db2.gz MJUBRBPGAHLNNT-NRFANRHFSA-N 2 0 359.558 3.118 20 0 FGADRP CC(C)CC[NH+]1CCC(C[NH2+][C@@H]2CC[N@H+](C[C@@H]3CCCO3)C[C@@H]2C)CC1 ZINC000372054993 499393781 /nfs/dbraw/zinc/39/37/81/499393781.db2.gz JMDOOQAFEIJCKX-ILWGZMRPSA-N 3 0 365.606 3.224 20 0 FGADRP CC(C)n1cc([C@H](C)[NH2+]CCC2CC[NH+](C3CCN(C)CC3)CC2)cn1 ZINC000372056291 499394079 /nfs/dbraw/zinc/39/40/79/499394079.db2.gz LOHIHDYFOYYIEN-SFHVURJKSA-N 2 0 361.578 3.311 20 0 FGADRP CC(C)n1cc([C@H](C)[NH2+]CC2(N3CC[NH+](C)CC3)CCCCCC2)cn1 ZINC000372066275 499395067 /nfs/dbraw/zinc/39/50/67/499395067.db2.gz YCEJBAYTWBOLRL-IBGZPJMESA-N 2 0 361.578 3.455 20 0 FGADRP C[N@@H+]1CCCC12CCN(C(=O)C1(C)CC[NH+](Cc3ccccc3)CC1)CC2 ZINC000372329261 499421413 /nfs/dbraw/zinc/42/14/13/499421413.db2.gz GLSYTYVRRNHXJP-UHFFFAOYSA-N 2 0 369.553 3.376 20 0 FGADRP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1NCc1ncc(-c2cccc(F)c2)o1 ZINC000372353675 499424095 /nfs/dbraw/zinc/42/40/95/499424095.db2.gz HFBNXDKDFZXFKK-AYOQOUSVSA-N 2 0 373.472 3.460 20 0 FGADRP CC1CC[NH+](CC2CC[NH+](Cc3cn(C)nc3-c3ccncc3)CC2)CC1 ZINC000372391217 499428120 /nfs/dbraw/zinc/42/81/20/499428120.db2.gz FZFQQMANHGPGDY-UHFFFAOYSA-N 2 0 367.541 3.426 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccc(C(F)(F)F)cc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000369768401 499441662 /nfs/dbraw/zinc/44/16/62/499441662.db2.gz WOGPSPILIFCTEG-QAPCUYQASA-N 2 0 355.448 3.163 20 0 FGADRP Cn1c2ccccc2nc1CC[NH+]1CCC2(C[C@@H]2C[N@H+](C)C2CC2)CC1 ZINC000378353003 499505949 /nfs/dbraw/zinc/50/59/49/499505949.db2.gz DUDIIWMBCGSRCD-QGZVFWFLSA-N 2 0 352.526 3.312 20 0 FGADRP COc1ccc(C2CC[NH+](CCCN3CC[NH+](C(C)C)CC3)CC2)cc1 ZINC000375599628 499536559 /nfs/dbraw/zinc/53/65/59/499536559.db2.gz QRMWJBMZLDGYFH-UHFFFAOYSA-N 2 0 359.558 3.291 20 0 FGADRP C[C@H]([NH2+]C[C@H](O)COc1ccc(F)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000383333875 499546628 /nfs/dbraw/zinc/54/66/28/499546628.db2.gz ZWZCVGYFYDKZCV-DSKINZAPSA-N 2 0 372.484 3.066 20 0 FGADRP C[N@@H+]1CC[C@H]([NH2+]CCc2ccc(OCC[NH+]3CCCC3)cc2)[C@H]2CCC[C@@H]21 ZINC000579336793 506149913 /nfs/dbraw/zinc/14/99/13/506149913.db2.gz XDCVMMCCEDDVJL-VJBWXMMDSA-N 3 0 371.569 3.166 20 0 FGADRP COc1ccc(C[C@H](C)[NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000397559783 499564258 /nfs/dbraw/zinc/56/42/58/499564258.db2.gz QGCPKWUIAXYSHL-IBGZPJMESA-N 2 0 368.521 3.243 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H](O)COCc1ccccc1 ZINC000397962202 499565466 /nfs/dbraw/zinc/56/54/66/499565466.db2.gz FOADEBGHVLUSRG-UEVCKROQSA-N 2 0 368.521 3.064 20 0 FGADRP Cc1cc(C)cc(OCCC[N@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)c1 ZINC000375900067 499566723 /nfs/dbraw/zinc/56/67/23/499566723.db2.gz FKRVIJQDPLZZKC-NRFANRHFSA-N 2 0 359.558 3.173 20 0 FGADRP Cc1nc2c(s1)CCC[C@@H]2C[N@@H+](C)CCCN1CC[NH+](C(C)C)CC1 ZINC000375953726 499571151 /nfs/dbraw/zinc/57/11/51/499571151.db2.gz JMAGQZIKHFLROR-GOSISDBHSA-N 2 0 364.603 3.219 20 0 FGADRP C[C@@H]1CN(C(=O)Nc2cccc3ccccc32)CCN1C1CC[NH+](C)CC1 ZINC000376213445 499591492 /nfs/dbraw/zinc/59/14/92/499591492.db2.gz YLXOPIWLYAXEMV-QGZVFWFLSA-N 2 0 366.509 3.472 20 0 FGADRP C[N@H+]1CC=C(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC000376296058 499598340 /nfs/dbraw/zinc/59/83/40/499598340.db2.gz LMXDLBDRUICIBK-IPMKNSEASA-N 2 0 363.546 3.406 20 0 FGADRP CCn1c2ccccc2nc1CN1CCC[N@@H+](C2CCN(CC)CC2)CC1 ZINC000582175050 506151542 /nfs/dbraw/zinc/15/15/42/506151542.db2.gz ZFUKKAFVVJTIIF-UHFFFAOYSA-N 2 0 369.557 3.048 20 0 FGADRP C[N@H+](Cc1cn2cc(Cl)ccc2n1)C1CCN(c2cc[nH+]cc2)CC1 ZINC000376799392 499634994 /nfs/dbraw/zinc/63/49/94/499634994.db2.gz QDRRMZDNQRKSNX-UHFFFAOYSA-N 2 0 355.873 3.484 20 0 FGADRP CN1c2ccc(C[NH2+]C[C@H]3CC[N@H+](C)[C@H]3c3ccccc3)cc2CCC1=O ZINC000376940843 499648101 /nfs/dbraw/zinc/64/81/01/499648101.db2.gz KTJBPQNJFVQYEZ-OFNKIYASSA-N 2 0 363.505 3.378 20 0 FGADRP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CCN(C)[C@H]2c2cccnc2)C[C@H]1C ZINC000377255747 499674355 /nfs/dbraw/zinc/67/43/55/499674355.db2.gz JAYDKNQQMJZYDH-JUSBFGHESA-N 2 0 359.514 3.032 20 0 FGADRP CC[NH+]1CCC(NC(=O)C[NH2+][C@H](c2ccc(Cl)cc2)C(C)C)CC1 ZINC000411145060 499702562 /nfs/dbraw/zinc/70/25/62/499702562.db2.gz QZPHRKXRGSLYLW-IBGZPJMESA-N 2 0 351.922 3.227 20 0 FGADRP CC(C)C(=O)NC1CC[NH+](Cc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000411169842 499706026 /nfs/dbraw/zinc/70/60/26/499706026.db2.gz VHOGSXFEFDQOBZ-UHFFFAOYSA-N 2 0 357.542 3.409 20 0 FGADRP CC(C)C(=O)NC1CC[NH+](Cc2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC000411171159 499706432 /nfs/dbraw/zinc/70/64/32/499706432.db2.gz YTVOHZDJWGTHPY-UHFFFAOYSA-N 2 0 357.542 3.409 20 0 FGADRP CN(Cc1ccccc1N(C)C1CC[NH+](C)CC1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000377622559 499711739 /nfs/dbraw/zinc/71/17/39/499711739.db2.gz IBDXIALRYYTLAM-CBQGHPETSA-N 3 0 370.585 3.274 20 0 FGADRP CCCn1c2ccccc2nc1CN1CCCC[C@@H]([NH+]2CCN(C)CC2)C1 ZINC000377689979 499720431 /nfs/dbraw/zinc/72/04/31/499720431.db2.gz FTRHOEJXTUOQFM-LJQANCHMSA-N 2 0 369.557 3.048 20 0 FGADRP COc1cc(C[NH+]2CCC3(C[C@H]3C[N@H+](C)C3CC3)CC2)cc(OC)c1O ZINC000377699965 499722079 /nfs/dbraw/zinc/72/20/79/499722079.db2.gz REQGUVHQLFHNTD-INIZCTEOSA-N 2 0 360.498 3.106 20 0 FGADRP COc1cc(OC)c(C[N@H+](C)C2CCN(c3cc[nH+]cc3)CC2)c(OC)c1 ZINC000377710881 499723759 /nfs/dbraw/zinc/72/37/59/499723759.db2.gz YEEZMVLIQLQIMK-UHFFFAOYSA-N 2 0 371.481 3.208 20 0 FGADRP CO[C@@H](C)c1noc(CN(C)Cc2ccc(C[NH+]3CCCCC3)cc2)n1 ZINC000411308909 499724595 /nfs/dbraw/zinc/72/45/95/499724595.db2.gz PSBVCOJKTFSFRE-INIZCTEOSA-N 2 0 358.486 3.395 20 0 FGADRP C([C@@H]1CCCCO1)[NH+]1CCCC2(CCC[N@@H+](C[C@@H]3CCCCO3)C2)C1 ZINC000377724763 499725230 /nfs/dbraw/zinc/72/52/30/499725230.db2.gz MWBOZUDCESZMAU-AHTKWCMKSA-N 2 0 350.547 3.303 20 0 FGADRP CC[NH+](CC)CCOc1ccccc1NC(=O)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000377779982 499732243 /nfs/dbraw/zinc/73/22/43/499732243.db2.gz GPDRNYDVFJKUBL-SFHVURJKSA-N 2 0 374.529 3.109 20 0 FGADRP Cc1ncc(CN2CC[C@H]([NH2+]Cc3c(C)nn(C)c3Cl)[C@@H](C)C2)s1 ZINC000377794306 499735263 /nfs/dbraw/zinc/73/52/63/499735263.db2.gz YKRHGOHXHXJNRV-ZBEGNZNMSA-N 2 0 367.950 3.147 20 0 FGADRP CCC1(CO)CC[NH+](CCC(C)CC[NH+]2CCC(CC)(CO)CC2)CC1 ZINC000411419533 499737942 /nfs/dbraw/zinc/73/79/42/499737942.db2.gz SUOBQCNLHFXKRA-UHFFFAOYSA-N 2 0 368.606 3.372 20 0 FGADRP Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000377816713 499738276 /nfs/dbraw/zinc/73/82/76/499738276.db2.gz KOPAGNRSDTXWSF-RBUKOAKNSA-N 2 0 373.566 3.118 20 0 FGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]CCc2cncs2)CC1 ZINC000411454494 499742638 /nfs/dbraw/zinc/74/26/38/499742638.db2.gz LGFWUVVZZJQDDQ-OAHLLOKOSA-N 2 0 362.518 3.317 20 0 FGADRP COCCOc1ccc([C@@H](C)[NH2+]Cc2ccc3c[nH+]cn3c2)cc1OC ZINC000414177280 499765871 /nfs/dbraw/zinc/76/58/71/499765871.db2.gz IFXRZUZEZYJTIF-OAHLLOKOSA-N 2 0 355.438 3.219 20 0 FGADRP CC[C@H]([NH2+]Cc1ccc2c[nH+]cn2c1)c1ccccc1OCC(=O)N(C)C ZINC000414198316 499767695 /nfs/dbraw/zinc/76/76/95/499767695.db2.gz YJPIUUQJAPOBAC-IBGZPJMESA-N 2 0 366.465 3.042 20 0 FGADRP C[C@H]([NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1)c1cccc(C2CC2)c1 ZINC000414205168 499768320 /nfs/dbraw/zinc/76/83/20/499768320.db2.gz WZALXXHKZNPGRQ-SFHVURJKSA-N 2 0 357.542 3.011 20 0 FGADRP CCN1CC[N@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C[C@H]1c1ncc[nH]1 ZINC000411658396 499774260 /nfs/dbraw/zinc/77/42/60/499774260.db2.gz LTIWLWGQFOPXSX-NRFANRHFSA-N 2 0 367.541 3.274 20 0 FGADRP CC[C@@H]1CCC[C@H]([NH2+]Cc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)C1 ZINC000414326384 499777870 /nfs/dbraw/zinc/77/78/70/499777870.db2.gz NPNRZHTXXREJJT-UTKZUKDTSA-N 2 0 357.542 3.442 20 0 FGADRP C[C@@H]1CC[C@H](C)[C@@H]([NH2+]Cc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)C1 ZINC000414342339 499779387 /nfs/dbraw/zinc/77/93/87/499779387.db2.gz PEJUZXZCSAHVGK-WWMYMODYSA-N 2 0 357.542 3.298 20 0 FGADRP NC(=O)C1CC[NH+](Cc2ccc(C[NH2+][C@H]3CCCC[C@H]3C3CC3)cc2)CC1 ZINC000414346427 499779489 /nfs/dbraw/zinc/77/94/89/499779489.db2.gz VEAQLILYAUOFAT-VXKWHMMOSA-N 2 0 369.553 3.442 20 0 FGADRP CCN1C[C@@H](C)[NH+](CCC(C)CC[N@@H+]2[C@H](C)CN(CC)C[C@@H]2C)[C@@H](C)C1 ZINC000411726755 499783568 /nfs/dbraw/zinc/78/35/68/499783568.db2.gz ZBYUDFPQVAXQHU-COPRSSIGSA-N 2 0 366.638 3.232 20 0 FGADRP Cc1nn(-c2cccc(F)c2)cc1C[NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000414394079 499785836 /nfs/dbraw/zinc/78/58/36/499785836.db2.gz OVNDSTKPBVXNCW-CALCHBBNSA-N 2 0 374.504 3.299 20 0 FGADRP CC(C)C[C@@H](C[NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1)c1ccccc1 ZINC000414490811 499798661 /nfs/dbraw/zinc/79/86/61/499798661.db2.gz XXUSJSZEPBCUEN-QFIPXVFZSA-N 2 0 373.585 3.203 20 0 FGADRP OC1(C[NH2+]C/C=C/c2ccc(F)cc2)CC[NH+](Cc2ccccc2)CC1 ZINC000414546493 499806148 /nfs/dbraw/zinc/80/61/48/499806148.db2.gz GLINWSFDBSDSFG-QPJJXVBHSA-N 2 0 354.469 3.456 20 0 FGADRP C[C@H]1CCCC[C@@H]1C[NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000414549485 499806758 /nfs/dbraw/zinc/80/67/58/499806758.db2.gz ASDIYKSUHWCEJF-LAUBAEHRSA-N 2 0 357.542 3.300 20 0 FGADRP NC(=O)C1CC[NH+](Cc2ccc(C[NH2+]C/C=C\c3ccccc3)cc2)CC1 ZINC000414551996 499807219 /nfs/dbraw/zinc/80/72/19/499807219.db2.gz GDEHXBPVYSXWIA-DAXSKMNVSA-N 2 0 363.505 3.187 20 0 FGADRP [NH3+]CC(=O)N1CCC[C@@H](C[N@H+](Cc2ccc(F)cc2)C2CCCCC2)C1 ZINC000414676128 499820085 /nfs/dbraw/zinc/82/00/85/499820085.db2.gz UUOUILVZRIZKEO-GOSISDBHSA-N 2 0 361.505 3.158 20 0 FGADRP O=C(c1cccc(C[NH+]2CCCCC2)c1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000412098733 499823379 /nfs/dbraw/zinc/82/33/79/499823379.db2.gz HEHDHCLSRYINQZ-NRFANRHFSA-N 2 0 355.526 3.373 20 0 FGADRP CC[N@H+](C[C@@H]1CCCN(C(=O)C[NH3+])C1)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000414732574 499824376 /nfs/dbraw/zinc/82/43/76/499824376.db2.gz CTOPMMZSNRPOPJ-CABCVRRESA-N 2 0 371.447 3.286 20 0 FGADRP C[C@H]1C[C@H](C[N@@H+]2CCCN(C(=O)Nc3cccc(Cl)c3)CC2)CC[NH2+]1 ZINC000414735262 499824677 /nfs/dbraw/zinc/82/46/77/499824677.db2.gz CFWSZVQTZBDMCM-JKSUJKDBSA-N 2 0 364.921 3.268 20 0 FGADRP C[C@H]1C[C@H](C[NH+]2CCN(C(=O)c3cccc(Cl)c3Cl)CC2)CC[NH2+]1 ZINC000414738476 499824984 /nfs/dbraw/zinc/82/49/84/499824984.db2.gz OZQZYJQLBVHSMA-UONOGXRCSA-N 2 0 370.324 3.139 20 0 FGADRP CCOC(=O)[C@H](Cc1cccc2ccccc21)NC[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414740638 499825495 /nfs/dbraw/zinc/82/54/95/499825495.db2.gz DHHIPABJIHCTBH-LZJOCLMNSA-N 2 0 354.494 3.292 20 0 FGADRP C[C@@H]1c2cc(Cl)cc(Cl)c2CC[N@H+]1C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414753824 499826835 /nfs/dbraw/zinc/82/68/35/499826835.db2.gz NAVZACBUABYYNH-CHWSQXEVSA-N 2 0 370.324 3.110 20 0 FGADRP CC[NH+](CC)CCOc1ccccc1NC(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000414778107 499829881 /nfs/dbraw/zinc/82/98/81/499829881.db2.gz GBQCHUNCNGMNCK-UHFFFAOYSA-N 2 0 374.529 3.015 20 0 FGADRP CCOc1cc(C[NH2+][C@H]2CCCC[C@H]2C[NH3+])cc(Br)c1OC ZINC000414809376 499833478 /nfs/dbraw/zinc/83/34/78/499833478.db2.gz UBEMXIHTUSZTHF-ZFWWWQNUSA-N 2 0 371.319 3.464 20 0 FGADRP C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000414834832 499835890 /nfs/dbraw/zinc/83/58/90/499835890.db2.gz HXVMXKBVRMMQHB-UONOGXRCSA-N 2 0 357.420 3.402 20 0 FGADRP Cc1cccn2cc(COc3ccc(C[NH2+]C[C@@H]4CCC[NH2+]C4)cc3)nc12 ZINC000414835499 499835917 /nfs/dbraw/zinc/83/59/17/499835917.db2.gz UHFWLTBDDONEEM-LJQANCHMSA-N 2 0 364.493 3.311 20 0 FGADRP C[C@@H](CCCCN1C(=O)c2ccccc2C1=O)[NH2+]CC1([NH3+])CCCCC1 ZINC000414843879 499836698 /nfs/dbraw/zinc/83/66/98/499836698.db2.gz OXERVMIQLLKANB-INIZCTEOSA-N 2 0 357.498 3.093 20 0 FGADRP C[C@H](CCCCN1C(=O)c2ccccc2C1=O)[NH2+]CC1([NH3+])CCCCC1 ZINC000414843880 499836718 /nfs/dbraw/zinc/83/67/18/499836718.db2.gz OXERVMIQLLKANB-MRXNPFEDSA-N 2 0 357.498 3.093 20 0 FGADRP C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000414847728 499837374 /nfs/dbraw/zinc/83/73/74/499837374.db2.gz GAIPGPYSXFGCSE-RDBSUJKOSA-N 2 0 368.319 3.144 20 0 FGADRP COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000414848308 499837398 /nfs/dbraw/zinc/83/73/98/499837398.db2.gz GLNZKTWAAMOYFK-IHRRRGAJSA-N 2 0 353.894 3.043 20 0 FGADRP CC1(C[NH2+]Cc2cc(Cl)ccc2OC[C@@H]2CCCO2)CC[NH2+]CC1 ZINC000414907231 499843544 /nfs/dbraw/zinc/84/35/44/499843544.db2.gz QDKZNGZOBRKAQK-KRWDZBQOSA-N 2 0 352.906 3.377 20 0 FGADRP COc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]CC1(C)CC[NH2+]CC1 ZINC000414908492 499843573 /nfs/dbraw/zinc/84/35/73/499843573.db2.gz QZQWPXIAHTUXPQ-CYBMUJFWSA-N 2 0 353.894 3.045 20 0 FGADRP C[C@@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+]C[C@@]1(C)CCC[NH2+]C1 ZINC000414916704 499844232 /nfs/dbraw/zinc/84/42/32/499844232.db2.gz QDOQADNNXKQNCY-GUYCJALGSA-N 2 0 373.419 3.282 20 0 FGADRP C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]C[C@@]1(C)CCC[NH2+]C1 ZINC000414919524 499844647 /nfs/dbraw/zinc/84/46/47/499844647.db2.gz XGLQGKHTABGZTR-BEFAXECRSA-N 2 0 351.922 3.056 20 0 FGADRP C[C@@H]1C[NH2+]CC[C@H]1[NH2+]Cc1ccc(OC(F)(F)F)c(Br)c1 ZINC000414931536 499845754 /nfs/dbraw/zinc/84/57/54/499845754.db2.gz BVXFQXFVJUFAKM-BXKDBHETSA-N 2 0 367.209 3.435 20 0 FGADRP C[C@H]1C[NH2+]CC[C@H]1[NH2+]C1CCN(Cc2ccccc2Br)CC1 ZINC000414945545 499847472 /nfs/dbraw/zinc/84/74/72/499847472.db2.gz RVOQVRVTKMZDNO-KBXCAEBGSA-N 2 0 366.347 3.001 20 0 FGADRP CCOc1cccc(Cl)c1C[NH2+]C(C)(C)CN1CC[NH+](CC)CC1 ZINC000570408080 506161725 /nfs/dbraw/zinc/16/17/25/506161725.db2.gz VMXRKVOEYHKZHT-UHFFFAOYSA-N 2 0 353.938 3.244 20 0 FGADRP C[C@H]1CCN(C(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)[C@H](C[NH3+])C1 ZINC000414961491 499849288 /nfs/dbraw/zinc/84/92/88/499849288.db2.gz ILPVCFBKPCXVKB-PXNSSMCTSA-N 2 0 358.530 3.306 20 0 FGADRP COCC1(C[NH2+][C@@H](C)Cc2ccc(Br)cc2F)CC[NH2+]CC1 ZINC000414970467 499850233 /nfs/dbraw/zinc/85/02/33/499850233.db2.gz HQIMWBGJCRKUNE-ZDUSSCGKSA-N 2 0 373.310 3.125 20 0 FGADRP C[C@@H]1CCCN(C(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)[C@H]1C[NH3+] ZINC000414974034 499850459 /nfs/dbraw/zinc/85/04/59/499850459.db2.gz JQEDPOIYFGWHMO-XLIONFOSSA-N 2 0 358.530 3.306 20 0 FGADRP C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]C[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000414992614 499852244 /nfs/dbraw/zinc/85/22/44/499852244.db2.gz BVMCAMXAOKNQAF-IIDMSEBBSA-N 2 0 351.922 3.184 20 0 FGADRP C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]C[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000414992631 499852281 /nfs/dbraw/zinc/85/22/81/499852281.db2.gz BWOGTCJJEXOVOB-BFYDXBDKSA-N 2 0 351.922 3.184 20 0 FGADRP C[C@H](CCc1ccc(Cl)s1)[NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000414993216 499852549 /nfs/dbraw/zinc/85/25/49/499852549.db2.gz UDGCQACDRKIMAZ-YPMHNXCESA-N 2 0 369.884 3.148 20 0 FGADRP C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+]C[C@H]1CCC[C@H]([NH3+])C1 ZINC000414994897 499853004 /nfs/dbraw/zinc/85/30/04/499853004.db2.gz DZMFVIOBVZEINO-RDBSUJKOSA-N 2 0 373.419 3.409 20 0 FGADRP COc1ccc(C[NH2+]C[C@@H]2CCC[C@@H]([NH3+])C2)cc1OCc1cccnc1 ZINC000415000052 499853457 /nfs/dbraw/zinc/85/34/57/499853457.db2.gz JVEBNOUZWKCVDB-VQIMIIECSA-N 2 0 355.482 3.276 20 0 FGADRP CCc1nn(C)c(CC)c1C[NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000415007953 499854421 /nfs/dbraw/zinc/85/44/21/499854421.db2.gz RZUGVHNWKQESKN-FUHWJXTLSA-N 2 0 358.505 3.167 20 0 FGADRP CCOCCOc1ccc(Br)cc1C[NH2+][C@H]1CC[C@@H](C[NH3+])C1 ZINC000415035082 499856665 /nfs/dbraw/zinc/85/66/65/499856665.db2.gz KMGORULONQDOCZ-CJNGLKHVSA-N 2 0 371.319 3.081 20 0 FGADRP Fc1ccccc1CC(Cc1ccccc1F)[NH2+]C[C@H]1C[NH2+]CCCO1 ZINC000415034863 499856682 /nfs/dbraw/zinc/85/66/82/499856682.db2.gz IHTFOSPHMJXXHF-LJQANCHMSA-N 2 0 360.448 3.087 20 0 FGADRP CC[C@@H](CCc1ccc(Br)cc1)[NH2+]C[C@@H]1C[NH2+]CCCO1 ZINC000415045224 499857481 /nfs/dbraw/zinc/85/74/81/499857481.db2.gz TUFGICIIDWYIBK-IRXDYDNUSA-N 2 0 355.320 3.128 20 0 FGADRP C[C@H](Cn1cc(Br)cn1)[NH2+][C@@H](CCC[NH3+])c1ccccc1 ZINC000415058601 499859481 /nfs/dbraw/zinc/85/94/81/499859481.db2.gz UDXVECNFEVKTNN-CJNGLKHVSA-N 2 0 351.292 3.104 20 0 FGADRP C[C@@H]1C[C@@H](C[NH2+][C@H]2CCCN(Cc3ccc(F)cc3Cl)C2)CC[NH2+]1 ZINC000415078190 499861544 /nfs/dbraw/zinc/86/15/44/499861544.db2.gz FWORVZYFZZPSPK-VKJFTORMSA-N 2 0 353.913 3.421 20 0 FGADRP [NH3+][C@H]1CCO[C@H](C2CC[NH+](Cc3sccc3Br)CC2)C1 ZINC000415116634 499865649 /nfs/dbraw/zinc/86/56/49/499865649.db2.gz BSOLDCPRGMSDJX-JSGCOSHPSA-N 2 0 359.333 3.229 20 0 FGADRP CCOc1ccc(C[NH+]2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)cc1OCC ZINC000415119351 499865894 /nfs/dbraw/zinc/86/58/94/499865894.db2.gz FDXQHFIESRKZMV-AZUAARDMSA-N 2 0 362.514 3.202 20 0 FGADRP CCCOc1ccc(C[NH+]2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)cc1OC ZINC000415121382 499866330 /nfs/dbraw/zinc/86/63/30/499866330.db2.gz GYRDGYVZWVEQJV-RXVVDRJESA-N 2 0 362.514 3.202 20 0 FGADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)Nc1ccccc1C[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000415123258 499866540 /nfs/dbraw/zinc/86/65/40/499866540.db2.gz PJTOUZFMWJMJQP-RLLQIKCJSA-N 2 0 372.557 3.107 20 0 FGADRP C[C@@H](C[N@@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1)c1ccc(C(F)(F)F)cc1 ZINC000415127859 499867329 /nfs/dbraw/zinc/86/73/29/499867329.db2.gz NJWGEQCQGMROBG-SUMWQHHRSA-N 2 0 367.419 3.196 20 0 FGADRP [NH3+]Cc1cn([C@@H]2CCC[N@H+](Cc3ccc(-c4ccccc4)cc3F)C2)nn1 ZINC000415131508 499867958 /nfs/dbraw/zinc/86/79/58/499867958.db2.gz SKZSAPJQOLNSJC-HXUWFJFHSA-N 2 0 365.456 3.380 20 0 FGADRP NC1(C[NH2+]C/C=C/c2ccc(F)cc2)CC[NH+](Cc2ccccc2)CC1 ZINC000415135206 499868798 /nfs/dbraw/zinc/86/87/98/499868798.db2.gz PWSVUNDZAFJVJW-QPJJXVBHSA-N 2 0 353.485 3.422 20 0 FGADRP [NH3+]C1CCC([NH2+]C2CCN(Cc3cccc(Br)c3)CC2)CC1 ZINC000415142740 499869968 /nfs/dbraw/zinc/86/99/68/499869968.db2.gz RRWQARJAXLWICL-UHFFFAOYSA-N 2 0 366.347 3.273 20 0 FGADRP C[NH2+]Cc1ccccc1NC(=O)NC1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000415915581 499927837 /nfs/dbraw/zinc/92/78/37/499927837.db2.gz ZILGIMUWPVQOIL-MRXNPFEDSA-N 2 0 367.497 3.148 20 0 FGADRP CC[NH2+]Cc1ccccc1NC(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000415916254 499928031 /nfs/dbraw/zinc/92/80/31/499928031.db2.gz BHMDRODPNMHGEP-SFHVURJKSA-N 2 0 356.470 3.348 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)Nc2ccc(OCC[NH3+])cc2)C1 ZINC000415930518 499929739 /nfs/dbraw/zinc/92/97/39/499929739.db2.gz ABVHZNXHHFOCDZ-QZTJIDSGSA-N 2 0 374.529 3.142 20 0 FGADRP C[NH2+]Cc1cccc(NC(=O)N(C)CC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000415941993 499931168 /nfs/dbraw/zinc/93/11/68/499931168.db2.gz HTXGONFATUFLNS-UHFFFAOYSA-N 2 0 367.497 3.181 20 0 FGADRP [NH3+]Cc1cc(NC(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)cc(C(F)(F)F)c1 ZINC000415950504 499932442 /nfs/dbraw/zinc/93/24/42/499932442.db2.gz DOKWUIMNXMEFFP-ZDUSSCGKSA-N 2 0 370.419 3.114 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)Nc1ccc(C[NH3+])cc1 ZINC000415972295 499935628 /nfs/dbraw/zinc/93/56/28/499935628.db2.gz HZIFPYRLEGSAKP-OXQOHEQNSA-N 2 0 352.482 3.177 20 0 FGADRP C[C@@H]1C[C@H](NC(=O)Nc2ccc(C[NH3+])cc2)CC[N@@H+]1Cc1ccccc1 ZINC000415971257 499935678 /nfs/dbraw/zinc/93/56/78/499935678.db2.gz GFTHUBPQLCQQIX-OXQOHEQNSA-N 2 0 352.482 3.320 20 0 FGADRP [NH3+]Cc1ccc(NC(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)cc1 ZINC000415983384 499937049 /nfs/dbraw/zinc/93/70/49/499937049.db2.gz ZKRBLYQBSCDCJF-INIZCTEOSA-N 2 0 358.511 3.241 20 0 FGADRP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)N(CCC[NH3+])CC1CCCC1 ZINC000417034560 499953227 /nfs/dbraw/zinc/95/32/27/499953227.db2.gz GAJNOQMQCGWMOL-SFHVURJKSA-N 2 0 352.567 3.192 20 0 FGADRP C[NH2+]CC1CC[NH+]([C@H](C(=O)Nc2ccc(OC)cc2)c2ccccc2)CC1 ZINC000582241815 506167284 /nfs/dbraw/zinc/16/72/84/506167284.db2.gz KPHKWCFYBXXHOC-NRFANRHFSA-N 2 0 367.493 3.306 20 0 FGADRP Cc1cc(C[NH+](C)C)cc(NC(=O)CC[N@@H+]2CCc3ccccc3C2)c1 ZINC000416176517 499969636 /nfs/dbraw/zinc/96/96/36/499969636.db2.gz DLMCECHANCTRRD-UHFFFAOYSA-N 2 0 351.494 3.444 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N(C)[C@H](C)C1CC[NH+](C)CC1)CC(C)C ZINC000570438148 506167936 /nfs/dbraw/zinc/16/79/36/506167936.db2.gz RVZZYTWWHFUUJL-MJGOQNOKSA-N 2 0 354.583 3.115 20 0 FGADRP COc1c[nH+]ccc1N1CC[NH+](C[C@H](OC(C)C)c2ccccc2)CC1 ZINC000428986471 499973652 /nfs/dbraw/zinc/97/36/52/499973652.db2.gz ZIJQPRCEMFAYMP-NRFANRHFSA-N 2 0 355.482 3.379 20 0 FGADRP C[C@@H](CCNC(=O)NC[C@H]1CCCC[N@@H+]1C1CC1)[NH+](C)Cc1ccccc1 ZINC000429092367 500002039 /nfs/dbraw/zinc/00/20/39/500002039.db2.gz KDOLNGCUAJJELT-GHTZIAJQSA-N 2 0 372.557 3.213 20 0 FGADRP C[NH2+][C@@H]1CCCN(C(=O)NCc2ccccc2C[N@H+](C)C2CCCCC2)C1 ZINC000417219057 500009255 /nfs/dbraw/zinc/00/92/55/500009255.db2.gz LZATWNMCRSVSRC-HXUWFJFHSA-N 2 0 372.557 3.345 20 0 FGADRP CC(C)[NH+]1CCC(C(=O)Nc2nc3c(s2)C[N@@H+](C(C)(C)C)CC3)CC1 ZINC000425087173 500015667 /nfs/dbraw/zinc/01/56/67/500015667.db2.gz UPCSFAAMOMKCER-UHFFFAOYSA-N 2 0 364.559 3.359 20 0 FGADRP C[C@@H]([NH2+]C[C@@H](O)CO[C@@H](C)c1ccc(Cl)cc1)C(C)(C)C[NH+](C)C ZINC000573317467 506170800 /nfs/dbraw/zinc/17/08/00/506170800.db2.gz JHOSTRWFULOAOE-HDMKZQKVSA-N 2 0 356.938 3.344 20 0 FGADRP Cc1ccc([C@H](CNC(=O)N2CCC([C@H]3[NH2+]CC3(C)C)CC2)[NH+](C)C)cc1 ZINC000417310925 500036666 /nfs/dbraw/zinc/03/66/66/500036666.db2.gz KYZQEIIPDFMWCT-VQTJNVASSA-N 2 0 372.557 3.017 20 0 FGADRP CC(C)C[C@@H](C[NH3+])NC(=O)c1cccc(C[N@H+](C)Cc2ccccc2)c1 ZINC000429312043 500049514 /nfs/dbraw/zinc/04/95/14/500049514.db2.gz ASKZAHGDWDKXMH-NRFANRHFSA-N 2 0 353.510 3.422 20 0 FGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC(Cc2nc3ccccc3[nH]2)CC1 ZINC000425316749 500073040 /nfs/dbraw/zinc/07/30/40/500073040.db2.gz MBJSOPPHOFWCHQ-LJQANCHMSA-N 2 0 354.498 3.218 20 0 FGADRP CC1CC[NH+](Cc2cccc(CNC(=O)NC[C@H]3CCC[C@@H]([NH3+])C3)c2)CC1 ZINC000417467561 500082096 /nfs/dbraw/zinc/08/20/96/500082096.db2.gz MFOOJRJXPOAPBM-PZJWPPBQSA-N 2 0 372.557 3.235 20 0 FGADRP CS[C@@H]1CC[C@@H]1[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000425375429 500089369 /nfs/dbraw/zinc/08/93/69/500089369.db2.gz ZOLVMHPCFYPRME-HSALFYBXSA-N 2 0 360.567 3.399 20 0 FGADRP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCC3(CC[NH2+]CC3)CC2)C1 ZINC000417584011 500117203 /nfs/dbraw/zinc/11/72/03/500117203.db2.gz LSYXQCJCUVLYRK-SFHVURJKSA-N 2 0 364.578 3.062 20 0 FGADRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000417586153 500117865 /nfs/dbraw/zinc/11/78/65/500117865.db2.gz QGHWMBXGKZCEHW-VTHDOGFWSA-N 2 0 372.557 3.197 20 0 FGADRP C[C@H](CCCC[NH3+])NC(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000417629416 500130269 /nfs/dbraw/zinc/13/02/69/500130269.db2.gz VNVORWHCUPUQNF-GOSISDBHSA-N 2 0 360.546 3.379 20 0 FGADRP CCc1ccc([C@H](CNC(=O)N2CCC3(CC[NH2+]CC3)CC2)[NH+](C)C)cc1 ZINC000416838902 500134619 /nfs/dbraw/zinc/13/46/19/500134619.db2.gz JLFZEMPCPCSDBD-FQEVSTJZSA-N 2 0 372.557 3.027 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1)c1ccccc1 ZINC000416847650 500137011 /nfs/dbraw/zinc/13/70/11/500137011.db2.gz VPBVXGWHJYGHAQ-PCCBWWKXSA-N 2 0 372.557 3.101 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)NC[C@@H]1CCC[NH2+]C1)c1ccccc1Cl ZINC000416853709 500138569 /nfs/dbraw/zinc/13/85/69/500138569.db2.gz UIIQNRKHAOBKMY-QAPCUYQASA-N 2 0 366.937 3.022 20 0 FGADRP COc1ccc([C@@H](C)[NH2+]C[C@@H](O)CN2CCc3ccccc3C2)c(C)c1 ZINC000414075058 500146800 /nfs/dbraw/zinc/14/68/00/500146800.db2.gz XFHWALJNXGOKQB-YLJYHZDGSA-N 2 0 354.494 3.073 20 0 FGADRP CC(C)c1ccc([C@@H]([NH3+])CNC(=O)NCc2ccc(C[NH+](C)C)cc2)cc1 ZINC000416887821 500147875 /nfs/dbraw/zinc/14/78/75/500147875.db2.gz OBHMSBQUAKLDHO-NRFANRHFSA-N 2 0 368.525 3.371 20 0 FGADRP CC[NH+](CC)Cc1ccc(CNC(=O)N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000416894190 500149294 /nfs/dbraw/zinc/14/92/94/500149294.db2.gz YLJAIEIUGLTBIP-NHCUHLMSSA-N 2 0 372.557 3.060 20 0 FGADRP C[C@H]([NH2+]C1(CNC(=O)NCC2(C)CC[NH2+]CC2)CCCC1)c1ccccc1 ZINC000417695822 500150888 /nfs/dbraw/zinc/15/08/88/500150888.db2.gz BUYDEIOIDJDAHY-SFHVURJKSA-N 2 0 372.557 3.339 20 0 FGADRP C[C@@H]([NH2+]CCc1ccc(OCC[NH+]2CCCC2)cc1)c1cc2n(n1)CCC2 ZINC000414092151 500151495 /nfs/dbraw/zinc/15/14/95/500151495.db2.gz DXWPGAKUCGGBLK-GOSISDBHSA-N 2 0 368.525 3.197 20 0 FGADRP C[C@H]([NH2+]C1(CNC(=O)NCC[C@H]2CCC[NH2+]C2)CCCC1)c1ccccc1 ZINC000417698568 500152140 /nfs/dbraw/zinc/15/21/40/500152140.db2.gz GPGNTTJHHBJWBK-RBUKOAKNSA-N 2 0 372.557 3.339 20 0 FGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H](C)c2ccc(Cl)cc2OC)CC1 ZINC000421824548 500160306 /nfs/dbraw/zinc/16/03/06/500160306.db2.gz JHVVXVGSQDZNAA-CVEARBPZSA-N 2 0 353.938 3.273 20 0 FGADRP COc1ccc([C@@H]([NH2+]CCN2CC[N@H+](C)C(C)(C)C2)C(C)C)c(F)c1 ZINC000421850228 500163098 /nfs/dbraw/zinc/16/30/98/500163098.db2.gz DDUJEQXJDOUVGN-IBGZPJMESA-N 2 0 351.510 3.147 20 0 FGADRP COC1([C@H](C)[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CCOCC1 ZINC000421876085 500168354 /nfs/dbraw/zinc/16/83/54/500168354.db2.gz YQEUCFFTPNFJCB-ZIBCJSCZSA-N 2 0 358.526 3.356 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N(C)CC(C)(C)C[NH3+])cc1 ZINC000416975514 500172929 /nfs/dbraw/zinc/17/29/29/500172929.db2.gz MYJVHZORLNWKGV-QGZVFWFLSA-N 2 0 360.546 3.187 20 0 FGADRP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)N(C)CC(C)(C)C[NH3+])cc2)C1 ZINC000416994187 500178804 /nfs/dbraw/zinc/17/88/04/500178804.db2.gz RHGZZNFGKATLCZ-QZTJIDSGSA-N 2 0 374.573 3.291 20 0 FGADRP [NH3+]CCC[C@@H](NC(=O)NC1CC[NH+](C2CCCC2)CC1)c1ccccc1 ZINC000417825238 500178947 /nfs/dbraw/zinc/17/89/47/500178947.db2.gz MRTKZJKSOVIMHI-HXUWFJFHSA-N 2 0 358.530 3.173 20 0 FGADRP CCC1(CNC(=O)N2C[C@H](C[NH3+])C[C@@H]2C)CC[NH+](Cc2ccccc2)CC1 ZINC000417922420 500198903 /nfs/dbraw/zinc/19/89/03/500198903.db2.gz IZTTWYGZIYSQIJ-ICSRJNTNSA-N 2 0 372.557 3.058 20 0 FGADRP c1c(C[NH2+][C@H]2CCC[C@H]2OCc2ccccc2)onc1C1CC[NH2+]CC1 ZINC000425895177 500208822 /nfs/dbraw/zinc/20/88/22/500208822.db2.gz IBWXUXDBQGGJDN-PZJWPPBQSA-N 2 0 355.482 3.369 20 0 FGADRP C[C@H](NC(=O)NCC[NH2+]C1CCCCCC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000417984299 500209537 /nfs/dbraw/zinc/20/95/37/500209537.db2.gz DGIYHYTZGLIXKE-ZWKOTPCHSA-N 2 0 364.578 3.251 20 0 FGADRP Cc1ccc([C@@H]2OCCC[C@@H]2[NH2+]Cc2cc(C3CC[NH2+]CC3)no2)cc1 ZINC000425899102 500209961 /nfs/dbraw/zinc/20/99/61/500209961.db2.gz KQLXXRCOLOZQJM-FPOVZHCZSA-N 2 0 355.482 3.460 20 0 FGADRP C[NH+](C)CC1CCN(C(=O)NC[C@@]2(C)CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000430214061 500210034 /nfs/dbraw/zinc/21/00/34/500210034.db2.gz WNBBPBGJAPVWES-JOCHJYFZSA-N 2 0 372.557 3.024 20 0 FGADRP CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000418034852 500217598 /nfs/dbraw/zinc/21/75/98/500217598.db2.gz OXEBRPBRFZUDSF-JGUMPVPUSA-N 2 0 372.557 3.067 20 0 FGADRP C[C@@H](CCCC[NH3+])NC(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000418042760 500219268 /nfs/dbraw/zinc/21/92/68/500219268.db2.gz YDPSRROURFFRTA-BBRMVZONSA-N 2 0 374.451 3.125 20 0 FGADRP C[C@]1(CNC(=O)NC[C@@H]([NH3+])c2ccccc2)CCC[N@@H+]1Cc1ccccc1 ZINC000418044849 500220045 /nfs/dbraw/zinc/22/00/45/500220045.db2.gz NLHJKCYDZORMOV-IFMALSPDSA-N 2 0 366.509 3.040 20 0 FGADRP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NCC1([NH3+])CCCCC1 ZINC000418151960 500238156 /nfs/dbraw/zinc/23/81/56/500238156.db2.gz GINFAGGSEGIZML-IBGZPJMESA-N 2 0 372.557 3.248 20 0 FGADRP CC[NH+](CC)C[C@H]1CCCC[C@H]1NC(=O)NC1CCC([NH+](C)C)CC1 ZINC000422247349 500240752 /nfs/dbraw/zinc/24/07/52/500240752.db2.gz WKFZDCUQYQZGQM-LWSMDNFKSA-N 2 0 352.567 3.059 20 0 FGADRP CC[C@H](C)[NH2+][C@H](CNC(=O)NCc1ccc([C@@H](C)[NH3+])cc1)c1ccco1 ZINC000418171358 500241741 /nfs/dbraw/zinc/24/17/41/500241741.db2.gz UPYFGCIDNWVJPK-HDMKZQKVSA-N 2 0 358.486 3.228 20 0 FGADRP CCC[N@H+](C)[C@H](CNC(=O)NCC[C@H]1CC[NH2+]C1)c1ccc(Cl)cc1 ZINC000418175459 500242981 /nfs/dbraw/zinc/24/29/81/500242981.db2.gz FWXHRCWCAMTOOZ-CRAIPNDOSA-N 2 0 366.937 3.022 20 0 FGADRP C[C@H](NC(=O)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]C1)[C@H](c1ccccc1)[NH+](C)C ZINC000418189802 500245854 /nfs/dbraw/zinc/24/58/54/500245854.db2.gz VSUILIYSEXQCRO-OYNPSCLESA-N 2 0 372.557 3.242 20 0 FGADRP CCc1ccc([C@@H](CNC(=O)N2CC[C@@]3(CC[NH2+]C3)C2)[NH+](CC)CC)cc1 ZINC000418215760 500250517 /nfs/dbraw/zinc/25/05/17/500250517.db2.gz NIEOAVBJDVAMAI-IFMALSPDSA-N 2 0 372.557 3.027 20 0 FGADRP Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[N@@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000430546313 500252133 /nfs/dbraw/zinc/25/21/33/500252133.db2.gz JQCSKJGRBNHYQO-LJQANCHMSA-N 2 0 371.529 3.123 20 0 FGADRP C[N@H+](CCC(=O)N[C@H](c1cccs1)c1ccccc1)CC(C)(C)C[NH3+] ZINC000430560091 500254824 /nfs/dbraw/zinc/25/48/24/500254824.db2.gz YZLCXNWLOBQTDJ-IBGZPJMESA-N 2 0 359.539 3.261 20 0 FGADRP CN(C(=O)NCC1([NH3+])CCCCCC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000418280867 500259238 /nfs/dbraw/zinc/25/92/38/500259238.db2.gz BSKBECYVFQDPGW-UHFFFAOYSA-N 2 0 372.557 3.344 20 0 FGADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NCC1([NH3+])CCCCCC1 ZINC000418288502 500259677 /nfs/dbraw/zinc/25/96/77/500259677.db2.gz WHDDPHRAHCZGMI-UHFFFAOYSA-N 2 0 360.546 3.331 20 0 FGADRP CC(C)c1ccc([C@H]([NH3+])CNC(=O)N(C)[C@@H](C)C2CC[NH+](C)CC2)cc1 ZINC000418322786 500261817 /nfs/dbraw/zinc/26/18/17/500261817.db2.gz FAWCVCAWHCRLAE-OXJNMPFZSA-N 2 0 360.546 3.182 20 0 FGADRP C[C@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)[NH+]1CCC(C[NH3+])CC1 ZINC000430611272 500262377 /nfs/dbraw/zinc/26/23/77/500262377.db2.gz OAKSEQNQYWLVHQ-LLVKDONJSA-N 2 0 354.376 3.487 20 0 FGADRP CC[N@H+](CCC1CCN(C(=O)N[C@H](C)[C@@H]2CCC[NH2+]C2)CC1)CC(C)C ZINC000418348045 500266746 /nfs/dbraw/zinc/26/67/46/500266746.db2.gz QYDAMKDHVANDLZ-UYAOXDASSA-N 2 0 366.594 3.164 20 0 FGADRP CCN(C(=O)NC1CCC([NH3+])CC1)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000418377337 500269955 /nfs/dbraw/zinc/26/99/55/500269955.db2.gz BGWCNPDOYVPSCI-ACAXCVFMSA-N 2 0 358.530 3.123 20 0 FGADRP COc1cccc(OC)c1Oc1ccc(C[NH2+][C@H]2CC[NH2+]CC[C@H]2C)cn1 ZINC000422700215 500287034 /nfs/dbraw/zinc/28/70/34/500287034.db2.gz BTCRFCFVDLHSJN-WBVHZDCISA-N 2 0 371.481 3.369 20 0 FGADRP FC(F)(F)c1cccc(C2(C[NH2+][C@@H]3CCOC[C@H]3[C@H]3CCC[NH2+]3)CC2)c1 ZINC000422702435 500287352 /nfs/dbraw/zinc/28/73/52/500287352.db2.gz KRNOEQPBOCUPPO-RCCFBDPRSA-N 2 0 368.443 3.484 20 0 FGADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]CCSCCOc1cccc(Br)c1 ZINC000422704327 500287682 /nfs/dbraw/zinc/28/76/82/500287682.db2.gz KJHVUYVLJREENO-XJKSGUPXSA-N 2 0 373.360 3.278 20 0 FGADRP C[C@@H]1C[C@@H](N(C)C(=O)NCC2(C)CC[NH2+]CC2)CC[N@@H+]1Cc1ccccc1 ZINC000418530082 500287868 /nfs/dbraw/zinc/28/78/68/500287868.db2.gz VHLHCNUNOPEAGK-QUCCMNQESA-N 2 0 372.557 3.071 20 0 FGADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C1CCN(Cc2ccc(F)c(F)c2)CC1 ZINC000422723357 500290173 /nfs/dbraw/zinc/29/01/73/500290173.db2.gz RCDWECXOGOJPPX-CQSZACIVSA-N 2 0 374.479 3.442 20 0 FGADRP C[C@H](COc1cccc(F)c1)[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422740692 500292127 /nfs/dbraw/zinc/29/21/27/500292127.db2.gz OCVUZEFHBJEYFV-VMRPVKRXSA-N 2 0 356.441 3.439 20 0 FGADRP COCCOc1ccccc1C[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422743231 500292924 /nfs/dbraw/zinc/29/29/24/500292924.db2.gz SXKQHAUPWYQTSS-DENIHFKCSA-N 2 0 368.477 3.057 20 0 FGADRP c1csc([C@H](C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)N2CCOCC2)c1 ZINC000422741889 500293097 /nfs/dbraw/zinc/29/30/97/500293097.db2.gz FLHLEBVMXOTFGN-HCXYKTFWSA-N 2 0 363.571 3.022 20 0 FGADRP COc1ccccc1C1(C[NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)CCCC1 ZINC000422743348 500293160 /nfs/dbraw/zinc/29/31/60/500293160.db2.gz UBPAPGRENJYHNS-YZGWKJHDSA-N 2 0 358.526 3.254 20 0 FGADRP CCOC(=O)C1([C@H](C)[NH2+][C@@H](CC)c2ccc(F)cc2F)CC[NH2+]CC1 ZINC000422753355 500294718 /nfs/dbraw/zinc/29/47/18/500294718.db2.gz CEJXZDJQDZPEFB-GUYCJALGSA-N 2 0 354.441 3.327 20 0 FGADRP C[C@@H](C(=O)NC[C@@H](c1c(F)cccc1Cl)N1CCCC1)N1CC(C)C1 ZINC000570527373 506187705 /nfs/dbraw/zinc/18/77/05/506187705.db2.gz SQUMHFNTMSQNKF-YOEHRIQHSA-N 2 0 367.896 3.072 20 0 FGADRP C[C@H]([NH2+]C1(CN[C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)CCCC1)c1ccccc1 ZINC000422771535 500296035 /nfs/dbraw/zinc/29/60/35/500296035.db2.gz VWDBHUIARCOUHG-BDKRGJGYSA-N 2 0 371.569 3.397 20 0 FGADRP O=C(c1ccccc1)N1CCC(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)CC1 ZINC000422768506 500296080 /nfs/dbraw/zinc/29/60/80/500296080.db2.gz SFNWYLOAEFNYMY-FDFHNCONSA-N 2 0 369.553 3.439 20 0 FGADRP CCOC(=O)C1([C@@H](C)[NH2+][C@H](c2ccc(F)cc2)C(C)C)CC[NH2+]CC1 ZINC000422781789 500297729 /nfs/dbraw/zinc/29/77/29/500297729.db2.gz JGOQUDLYVSXUNZ-QAPCUYQASA-N 2 0 350.478 3.434 20 0 FGADRP Fc1ccc(-n2ccc(CC[NH2+][C@@H]3CCC[C@H]3[C@@H]3CCCC[NH2+]3)n2)cc1 ZINC000422789323 500298213 /nfs/dbraw/zinc/29/82/13/500298213.db2.gz OBFQIYAXICTEKD-PCCBWWKXSA-N 2 0 356.489 3.454 20 0 FGADRP CCCN(CC[NH+]1CCCCC1)C(=O)N[C@@H](CCC[NH3+])c1ccccc1 ZINC000418653455 500301331 /nfs/dbraw/zinc/30/13/31/500301331.db2.gz AOVYQYALKVHBNK-FQEVSTJZSA-N 2 0 360.546 3.374 20 0 FGADRP Fc1ccc(OCC[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c(F)c1 ZINC000422818760 500301950 /nfs/dbraw/zinc/30/19/50/500301950.db2.gz LEOCPZCPXWKLKW-YLJYHZDGSA-N 2 0 360.404 3.189 20 0 FGADRP CN(CC[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)Cc1ccc(F)cc1 ZINC000422820797 500302099 /nfs/dbraw/zinc/30/20/99/500302099.db2.gz SGCMLGKSARARIX-RBBKRZOGSA-N 2 0 369.484 3.103 20 0 FGADRP Cc1cccc(N2CC[NH+](CCCC[NH2+][C@H]3CCCCC[C@@H]3[NH3+])CC2)c1 ZINC000422815502 500302150 /nfs/dbraw/zinc/30/21/50/500302150.db2.gz XRLRVWBLXMYAQN-VXKWHMMOSA-N 3 0 358.574 3.147 20 0 FGADRP CCC(CC)[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1)N1CCOCC1 ZINC000422821636 500302475 /nfs/dbraw/zinc/30/24/75/500302475.db2.gz XQGWAJAQFRMHSG-BURNTYAHSA-N 2 0 351.579 3.024 20 0 FGADRP [NH3+]CCC[C@H](NC(=O)N[C@@H](CCC[NH3+])c1ccccc1)c1ccccc1 ZINC000418665137 500304231 /nfs/dbraw/zinc/30/42/31/500304231.db2.gz DUAUDUCWQUUSKH-PMACEKPBSA-N 2 0 354.498 3.246 20 0 FGADRP OC1CC[NH+](Cc2ccccc2C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)CC1 ZINC000422840516 500304360 /nfs/dbraw/zinc/30/43/60/500304360.db2.gz TVVPSJYUUIVKGU-XPWALMASSA-N 3 0 371.569 3.044 20 0 FGADRP c1ccc(N2CC[C@H](C[NH2+][C@@H]3C[C@@]4(CC[NH2+]C4)Oc4ccccc43)C2)cc1 ZINC000422836668 500304427 /nfs/dbraw/zinc/30/44/27/500304427.db2.gz RREXFELPDSHJQH-JMUQELJHSA-N 2 0 363.505 3.358 20 0 FGADRP CCOC(=O)C1([C@H](C)[NH2+]CC(C)(C)c2ccccc2F)CC[NH2+]CC1 ZINC000422846940 500305441 /nfs/dbraw/zinc/30/54/41/500305441.db2.gz HAEPTSHQIFHMGK-HNNXBMFYSA-N 2 0 350.478 3.014 20 0 FGADRP COc1ccccc1N1CC[C@H](C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)C1 ZINC000422851673 500306248 /nfs/dbraw/zinc/30/62/48/500306248.db2.gz PKSATYBRCLQWHR-UAFMIMERSA-N 2 0 357.542 3.422 20 0 FGADRP CCOC(=O)C1([C@H](C)[NH2+]C[C@@H]2CCC[C@H](C(F)(F)F)C2)CC[NH2+]CC1 ZINC000422853028 500306287 /nfs/dbraw/zinc/30/62/87/500306287.db2.gz RSBLYRMOODBWNY-ZNMIVQPWSA-N 2 0 364.452 3.266 20 0 FGADRP C[C@@H]([NH3+])C1CC[NH+](CC(=O)N[C@@H](C)c2ccc(Cl)c(Cl)c2)CC1 ZINC000430914767 500306270 /nfs/dbraw/zinc/30/62/70/500306270.db2.gz ABLJYOPTMAFCHG-NEPJUHHUSA-N 2 0 358.313 3.230 20 0 FGADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]Cc1ccc(COCc2ccccc2)cc1 ZINC000422856858 500306560 /nfs/dbraw/zinc/30/65/60/500306560.db2.gz GSVABUCIDXZLFA-BULFRSBZSA-N 2 0 354.494 3.245 20 0 FGADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]Cc1ccnc(OCC(F)(F)F)c1 ZINC000422863711 500307291 /nfs/dbraw/zinc/30/72/91/500307291.db2.gz PLJIHBGKJOAMKH-LLVKDONJSA-N 2 0 354.376 3.036 20 0 FGADRP O=C(CCc1ccccc1)N1CC[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)C1 ZINC000422869543 500308024 /nfs/dbraw/zinc/30/80/24/500308024.db2.gz ANLYJOFTQVXYTQ-LNRXMEIDSA-N 2 0 369.553 3.121 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422874440 500308752 /nfs/dbraw/zinc/30/87/52/500308752.db2.gz CYKHHVPDBSTDMA-CBQOVEMMSA-N 3 0 357.542 3.487 20 0 FGADRP COc1ccc(CC[NH2+][C@@H](C)c2ccc(C[NH3+])nc2C)cc1OC(F)F ZINC000422877283 500308878 /nfs/dbraw/zinc/30/88/78/500308878.db2.gz HQZZRWLDZLYKBO-LBPRGKRZSA-N 2 0 365.424 3.352 20 0 FGADRP C[C@H]([NH2+]CC1(c2ccc(Br)cc2)CCOCC1)[C@@H]1CCC[NH2+]1 ZINC000422883267 500310092 /nfs/dbraw/zinc/31/00/92/500310092.db2.gz UOPSMVMRTZRWPD-YOEHRIQHSA-N 2 0 367.331 3.227 20 0 FGADRP CC[C@H](C)[C@H]([NH2+][C@H](C)C1C[NH2+]C1)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC000422886214 500310993 /nfs/dbraw/zinc/31/09/93/500310993.db2.gz IGRZKQNHAIUUAU-SVMVAKDDSA-N 2 0 371.569 3.080 20 0 FGADRP C[C@H]([NH2+]C[C@@H]1CCN(c2cccc(Br)c2)C1)[C@H]1CCCC[NH2+]1 ZINC000422903520 500313624 /nfs/dbraw/zinc/31/36/24/500313624.db2.gz WHPITGQNKUDPSX-RLFYNMQTSA-N 2 0 366.347 3.396 20 0 FGADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]C[C@H]1CCCCN1Cc1cccc(Cl)c1 ZINC000422905335 500314478 /nfs/dbraw/zinc/31/44/78/500314478.db2.gz HVLBOFRABVMDAJ-LDTOTXGLSA-N 2 0 365.949 3.036 20 0 FGADRP CCOc1ccc([C@H](C)NC(=O)CCC[NH2+][C@@H]2CC[NH2+]CC[C@@H]2C)cc1 ZINC000422926728 500317722 /nfs/dbraw/zinc/31/77/22/500317722.db2.gz DTCCQEAFVVNZPN-ABSDTBQOSA-N 2 0 361.530 3.020 20 0 FGADRP CC[N@H+](CCC1CCN(C(=O)NCCC[C@@H]2CCC[NH2+]2)CC1)CC1CC1 ZINC000418760897 500319327 /nfs/dbraw/zinc/31/93/27/500319327.db2.gz FKHNUFPYFMANTK-FQEVSTJZSA-N 2 0 364.578 3.062 20 0 FGADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]CCc1ccc(OCc2ccccc2)cc1 ZINC000422935168 500319583 /nfs/dbraw/zinc/31/95/83/500319583.db2.gz DEMQOCQNCKZYPE-BULFRSBZSA-N 2 0 354.494 3.150 20 0 FGADRP CCOC(=O)C1([C@H](C)[NH2+][C@@H]2CCOc3c(Cl)cccc32)CC[NH2+]CC1 ZINC000422938177 500319813 /nfs/dbraw/zinc/31/98/13/500319813.db2.gz GTHQEOATAJHCBP-XJKSGUPXSA-N 2 0 366.889 3.075 20 0 FGADRP [NH3+]CC1CCC([NH2+]C[C@H]2CCN(c3ccc(Br)cc3)C2)CC1 ZINC000422942451 500321128 /nfs/dbraw/zinc/32/11/28/500321128.db2.gz KFUAISMPJSDIAD-ISXOHVOVSA-N 2 0 366.347 3.383 20 0 FGADRP C[C@@H]1C[N@@H+](Cc2ccccc2C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)C[C@H](C)O1 ZINC000422947426 500321615 /nfs/dbraw/zinc/32/16/15/500321615.db2.gz PZUVNBVDPJFRNI-NQDIBGKZSA-N 3 0 371.569 3.306 20 0 FGADRP C[C@H](C[NH2+][C@@H]1CCOC[C@@H]1[C@H](C)[NH3+])Sc1ccc(Br)cc1 ZINC000422952505 500322521 /nfs/dbraw/zinc/32/25/21/500322521.db2.gz COKRJHQXRQOYOW-NOXHYTERSA-N 2 0 373.360 3.272 20 0 FGADRP C[C@@H](NC(=O)[C@@H](C)[NH+]1CCC2(CC[NH2+]C2)CC1)c1ccc2ccccc2c1 ZINC000431012857 500322675 /nfs/dbraw/zinc/32/26/75/500322675.db2.gz GTBZDOAVXKVCFI-QZTJIDSGSA-N 2 0 365.521 3.481 20 0 FGADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000422951285 500322891 /nfs/dbraw/zinc/32/28/91/500322891.db2.gz XVYCWHARBYYVQZ-VKJFTORMSA-N 2 0 366.347 3.383 20 0 FGADRP CCOC(=O)C1([C@@H](C)[NH2+]CCOc2ccccc2C(C)C)CC[NH2+]CC1 ZINC000422953457 500323030 /nfs/dbraw/zinc/32/30/30/500323030.db2.gz FKLCDACLDLVGKW-QGZVFWFLSA-N 2 0 362.514 3.100 20 0 FGADRP Cc1ccc(-c2noc(CCC[NH+]3CCC4(CC[NH2+]C4)CC3)n2)cc1F ZINC000431037037 500327280 /nfs/dbraw/zinc/32/72/80/500327280.db2.gz LBFYUPNSMBEQJS-UHFFFAOYSA-N 2 0 358.461 3.192 20 0 FGADRP COC[C@@H](CCC[NH3+])[NH2+]CCc1csc(-c2ccc(Cl)cc2)n1 ZINC000423016489 500331014 /nfs/dbraw/zinc/33/10/14/500331014.db2.gz TUBYBTBHWGYXGG-OAHLLOKOSA-N 2 0 353.919 3.350 20 0 FGADRP Fc1ccc(C2(C[NH2+][C@@H]3CCOC[C@@H]3[C@@H]3CCC[NH2+]3)CC2)c(Cl)c1 ZINC000423015556 500331212 /nfs/dbraw/zinc/33/12/12/500331212.db2.gz ADBQIPVQTODZQL-FHLIZLRMSA-N 2 0 352.881 3.257 20 0 FGADRP COc1ccc(CC[N@H+](Cc2nc(C(C)(C)[NH3+])no2)CC(C)(C)C)cc1 ZINC000431079446 500332873 /nfs/dbraw/zinc/33/28/73/500332873.db2.gz YLARAWSHPSYOOD-UHFFFAOYSA-N 2 0 360.502 3.363 20 0 FGADRP Fc1ccccc1NCCC[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423038420 500333838 /nfs/dbraw/zinc/33/38/38/500333838.db2.gz YSZPBZVZYQAWFF-CTNGQTDRSA-N 2 0 355.457 3.473 20 0 FGADRP Fc1ccccc1NCCC[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423038422 500333859 /nfs/dbraw/zinc/33/38/59/500333859.db2.gz YSZPBZVZYQAWFF-PZJWPPBQSA-N 2 0 355.457 3.473 20 0 FGADRP Cc1cc(Br)cn2cc(CC[NH2+][C@H](C)CCCC[NH3+])nc12 ZINC000423039101 500334404 /nfs/dbraw/zinc/33/44/04/500334404.db2.gz PSIKXRDNDRGVQE-CYBMUJFWSA-N 2 0 353.308 3.055 20 0 FGADRP C[C@H]([NH2+][C@H]1CC2CCC1CC2)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000431103787 500336464 /nfs/dbraw/zinc/33/64/64/500336464.db2.gz RFFFYAMWTXCOMV-IDRNXTJZSA-N 2 0 369.553 3.324 20 0 FGADRP Fc1cccc2c1OCC[C@@H]2[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423061900 500336699 /nfs/dbraw/zinc/33/66/99/500336699.db2.gz RWDQRKUQMYXCJH-WFXMLNOXSA-N 2 0 354.425 3.495 20 0 FGADRP Cc1ccc(Br)cc1C[NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000423057100 500336972 /nfs/dbraw/zinc/33/69/72/500336972.db2.gz GXFJKWUGLNPKAL-BRWVUGGUSA-N 2 0 353.304 3.004 20 0 FGADRP C[C@H]([NH2+][C@@H](Cc1ccccn1)c1ccc(Br)cc1)C1C[NH2+]C1 ZINC000423072903 500338567 /nfs/dbraw/zinc/33/85/67/500338567.db2.gz QLLSPFFKXBNHCA-UGSOOPFHSA-N 2 0 360.299 3.325 20 0 FGADRP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)NCc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000423097112 500341745 /nfs/dbraw/zinc/34/17/45/500341745.db2.gz AJDXTUKLJGOTGK-WZONZLPQSA-N 2 0 367.537 3.208 20 0 FGADRP Cc1cc(C[NH2+][C@H]2CC[NH2+]CC[C@H]2C)ccc1I ZINC000423101206 500342745 /nfs/dbraw/zinc/34/27/45/500342745.db2.gz VOPVBRAELJHASJ-ABAIWWIYSA-N 2 0 358.267 3.077 20 0 FGADRP CCOC(=O)C1([C@@H](C)[NH2+][C@@H]2CCCC[C@H]2OCCC(C)C)CC[NH2+]CC1 ZINC000423104761 500343013 /nfs/dbraw/zinc/34/30/13/500343013.db2.gz YOIFBHVPMVOMEY-GUDVDZBRSA-N 2 0 368.562 3.271 20 0 FGADRP FC(F)(F)[C@H](C[NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1)Cc1ccccc1 ZINC000423125307 500345941 /nfs/dbraw/zinc/34/59/41/500345941.db2.gz QHYBRJXVZHBBHU-XLAORIBOSA-N 2 0 356.432 3.154 20 0 FGADRP CCCOc1c(OC)cc(CC[NH2+][C@@H]2CC[NH2+]CC[C@@H]2C)cc1OC ZINC000423147039 500348226 /nfs/dbraw/zinc/34/82/26/500348226.db2.gz BVKHQJYEQRTXEN-DOTOQJQBSA-N 2 0 350.503 3.013 20 0 FGADRP COc1cc(OC)c(C[C@H](C)[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)c(OC)c1 ZINC000423162173 500349969 /nfs/dbraw/zinc/34/99/69/500349969.db2.gz SWTWTFKMBQMNPY-BKTGTZMESA-N 2 0 356.466 3.378 20 0 FGADRP FC(F)(F)c1cc(C[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)ccn1 ZINC000423161525 500350165 /nfs/dbraw/zinc/35/01/65/500350165.db2.gz SFINSIFYOOMXBY-QAPCUYQASA-N 2 0 363.383 3.446 20 0 FGADRP CO[C@H]1c2ccccc2C[C@H]1[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423173189 500351285 /nfs/dbraw/zinc/35/12/85/500351285.db2.gz XIJAZCXIVGJGHL-KRXUUXHPSA-N 2 0 350.462 3.144 20 0 FGADRP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CN[C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000423190542 500353131 /nfs/dbraw/zinc/35/31/31/500353131.db2.gz SAIRUQLSFGNMPB-TWHAJKEOSA-N 2 0 365.521 3.258 20 0 FGADRP FC(F)(F)c1cccc([C@@H]2CCC[C@H]2[NH2+]CCCN2CC[NH2+]CC2)c1 ZINC000423195572 500354091 /nfs/dbraw/zinc/35/40/91/500354091.db2.gz ZKYCGVKSDJVNCA-ZWKOTPCHSA-N 2 0 355.448 3.226 20 0 FGADRP C[NH2+]C[C@@H](C)C[NH2+][C@@H](C)CCc1ccc(I)cc1 ZINC000423270749 500360466 /nfs/dbraw/zinc/36/04/66/500360466.db2.gz IJFWKSRTUBBTBW-OLZOCXBDSA-N 2 0 360.283 3.057 20 0 FGADRP C[C@@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[NH2+]C[C@@H]([NH3+])C1CC1 ZINC000423323885 500363673 /nfs/dbraw/zinc/36/36/73/500363673.db2.gz PCDSFUYLBCICGV-TVQRCGJNSA-N 2 0 363.811 3.403 20 0 FGADRP [NH3+][C@@H](CC1CCCCC1)C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000423331651 500364678 /nfs/dbraw/zinc/36/46/78/500364678.db2.gz MSHOVRFPFYVTBF-FQEVSTJZSA-N 2 0 361.505 3.204 20 0 FGADRP FC(F)(F)[C@H](C[NH2+][C@H](c1cccs1)C1CCCC1)N1CC[NH2+]CC1 ZINC000423372805 500368496 /nfs/dbraw/zinc/36/84/96/500368496.db2.gz BJOZUPSUWIXDKU-HOTGVXAUSA-N 2 0 361.477 3.405 20 0 FGADRP COCCOc1ccc([C@H](C)[NH2+]Cc2ccc3c(c2)C[NH2+]C3)cc1OC ZINC000423384981 500368878 /nfs/dbraw/zinc/36/88/78/500368878.db2.gz LESDNEJMLLOKBR-HNNXBMFYSA-N 2 0 356.466 3.174 20 0 FGADRP C[C@H](CCc1ccc(I)cc1)[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000423378223 500369088 /nfs/dbraw/zinc/36/90/88/500369088.db2.gz WGKJKROMOWUVFW-DAXOMENPSA-N 2 0 372.294 3.472 20 0 FGADRP COCC1(C[NH2+][C@@H](C)c2ccc(OC)c(Br)c2)CC[NH2+]CC1 ZINC000423396852 500370653 /nfs/dbraw/zinc/37/06/53/500370653.db2.gz BLIZUUAFQRLMQC-ZDUSSCGKSA-N 2 0 371.319 3.125 20 0 FGADRP COCC1(C[NH2+][C@H]2CCCOc3c(C)cc(Cl)cc32)CC[NH2+]CC1 ZINC000423405518 500371269 /nfs/dbraw/zinc/37/12/69/500371269.db2.gz JMIJTTSSXVPGDF-KRWDZBQOSA-N 2 0 352.906 3.468 20 0 FGADRP COCC1(C[NH2+][C@H](C)c2cc(Br)ccc2F)CC[NH2+]CC1 ZINC000423413699 500372283 /nfs/dbraw/zinc/37/22/83/500372283.db2.gz ZRIAIFCXHLWVAB-GFCCVEGCSA-N 2 0 359.283 3.255 20 0 FGADRP COc1ccc2c(c1)C[C@@H]([NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)CO2 ZINC000423460869 500375837 /nfs/dbraw/zinc/37/58/37/500375837.db2.gz BPOCRPZOLPIGMQ-FBBABVLZSA-N 2 0 370.468 3.121 20 0 FGADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000423461912 500376579 /nfs/dbraw/zinc/37/65/79/500376579.db2.gz OPWODRWVLSVYKX-PGCKRBSRSA-N 3 0 353.554 3.393 20 0 FGADRP C[C@@H]1C[C@H](N(C)C(=O)C[C@H]2CCC[NH2+]CC2)CC[N@@H+]1Cc1ccccc1 ZINC000427275569 500376683 /nfs/dbraw/zinc/37/66/83/500376683.db2.gz PQCAYPKHOXGZIW-SVFBPWRDSA-N 2 0 357.542 3.278 20 0 FGADRP CC[C@H]([NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)C1(C(=O)OC)CCC1 ZINC000423479819 500378231 /nfs/dbraw/zinc/37/82/31/500378231.db2.gz VCUCWTLXXYQMAI-UHOSZYNNSA-N 2 0 362.489 3.230 20 0 FGADRP Fc1ccc([C@H]([NH2+]C2CCC(N3CC[NH2+]CC3)CC2)c2cccnc2)cc1 ZINC000423521236 500381950 /nfs/dbraw/zinc/38/19/50/500381950.db2.gz SHXGCTQZKVWYNI-HRTMPFAESA-N 2 0 368.500 3.116 20 0 FGADRP C[C@@H]([NH2+]CC1([NH3+])C2CC3CC(C2)CC1C3)c1ccc(-n2cncn2)cc1 ZINC000423531603 500383180 /nfs/dbraw/zinc/38/31/80/500383180.db2.gz SXMLVDIKAFDDKZ-WPIBWQAYSA-N 2 0 351.498 3.072 20 0 FGADRP Cc1nc2c(s1)[C@H]([NH2+]CC1(N)CC[NH+](Cc3ccccc3)CC1)CCC2 ZINC000423562018 500384854 /nfs/dbraw/zinc/38/48/54/500384854.db2.gz KHZNPRJMXBIUHY-GOSISDBHSA-N 2 0 370.566 3.412 20 0 FGADRP C[N@@H+]1CC[C@H](NC(=O)Nc2ccc3c(c2F)CC[NH2+]C3)[C@H]1c1ccccc1 ZINC000570546043 506192485 /nfs/dbraw/zinc/19/24/85/506192485.db2.gz VILJNXOFARXORG-AZUAARDMSA-N 2 0 368.456 3.038 20 0 FGADRP C[NH+](C)[C@H](CC(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C)c1ccccc1 ZINC000431557920 500391903 /nfs/dbraw/zinc/39/19/03/500391903.db2.gz GFTZDJYECFOAAK-WOJBJXKFSA-N 2 0 357.473 3.238 20 0 FGADRP CC(C)O[C@H]1C[C@@H]([NH2+]Cc2c(Cl)cccc2N2CC[NH+](C)CC2)C1 ZINC000419769253 500395288 /nfs/dbraw/zinc/39/52/88/500395288.db2.gz DQFXGISRSMYEHW-IYBDPMFKSA-N 2 0 351.922 3.137 20 0 FGADRP COc1ccc([C@@H](CNC(=O)CC[C@@H]2CCCC[N@@H+]2C)[NH+]2CCCC2)cc1 ZINC000431652416 500403455 /nfs/dbraw/zinc/40/34/55/500403455.db2.gz CEKFGNQLPGPEER-PZJWPPBQSA-N 2 0 373.541 3.213 20 0 FGADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)NCC2CC[NH+](CCC(C)C)CC2)C[C@@H]1C ZINC000431653174 500403682 /nfs/dbraw/zinc/40/36/82/500403682.db2.gz YWTMFLNJPQXRMJ-AZUAARDMSA-N 2 0 366.594 3.259 20 0 FGADRP CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC(=O)NCCC1CC[NH+](CC)CC1 ZINC000431687743 500408999 /nfs/dbraw/zinc/40/89/99/500408999.db2.gz RANLWBDMBASYNM-VQTJNVASSA-N 2 0 366.594 3.308 20 0 FGADRP CC(C)[NH+]1CCN(c2cccc(NC(=O)C[C@@H]3CCCC[C@H]3[NH3+])c2)CC1 ZINC000423837057 500409618 /nfs/dbraw/zinc/40/96/18/500409618.db2.gz GNCGINCKJXAMQD-FXAWDEMLSA-N 2 0 358.530 3.063 20 0 FGADRP [NH3+]C1CC[NH+](CCCC(=O)NCC2(Cc3ccccc3)CCCC2)CC1 ZINC000423901602 500417105 /nfs/dbraw/zinc/41/71/05/500417105.db2.gz TZOIRWYAKLHXCM-UHFFFAOYSA-N 2 0 357.542 3.109 20 0 FGADRP CC[C@@H](C(=O)N[C@@H](CCC[NH3+])c1ccccc1)[N@H+](C)Cc1ccccc1 ZINC000423961110 500424990 /nfs/dbraw/zinc/42/49/90/500424990.db2.gz DLECGYWTCIKQQP-SFTDATJTSA-N 2 0 353.510 3.493 20 0 FGADRP C[C@@H]1CCC[C@@H](CC(=O)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)C1 ZINC000424017000 500437050 /nfs/dbraw/zinc/43/70/50/500437050.db2.gz FEQDTNKVPRPYER-UYAOXDASSA-N 2 0 357.542 3.313 20 0 FGADRP COc1ccc(-c2nc(CN(C)[C@H]3CCC[NH2+]CC3)cs2)cc1OC ZINC000420304675 500437536 /nfs/dbraw/zinc/43/75/36/500437536.db2.gz FIXWWHUQYULGCM-INIZCTEOSA-N 2 0 361.511 3.401 20 0 FGADRP Cc1cc(Cl)ccc1C(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000424017723 500437980 /nfs/dbraw/zinc/43/79/80/500437980.db2.gz HAWJPOGVPOHDNQ-UHFFFAOYSA-N 2 0 371.912 3.372 20 0 FGADRP COc1ccc([C@H](C[NH3+])C[N@@H+]2CC[C@H](OCCCc3ccccc3)C2)cc1 ZINC000420307923 500438158 /nfs/dbraw/zinc/43/81/58/500438158.db2.gz RRVZBEURQMUYBO-GGAORHGYSA-N 2 0 368.521 3.461 20 0 FGADRP COc1ccc([C@H](C[NH3+])C[NH+]2CCC(C(=O)Nc3ccccc3)CC2)cc1 ZINC000420315250 500439727 /nfs/dbraw/zinc/43/97/27/500439727.db2.gz LKGCXWDLMCESHC-LJQANCHMSA-N 2 0 367.493 3.088 20 0 FGADRP CCOC(=O)c1oc2ccccc2c1C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000420321481 500440667 /nfs/dbraw/zinc/44/06/67/500440667.db2.gz VHYXTAZJWRPBHL-INIZCTEOSA-N 2 0 356.466 3.431 20 0 FGADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H]1CCCc2ncc(C(F)(F)F)cc21 ZINC000427871582 500441694 /nfs/dbraw/zinc/44/16/94/500441694.db2.gz WHOPNXIGQRGZJM-RDTXWAMCSA-N 2 0 370.463 3.093 20 0 FGADRP CC[C@H](NC(=O)C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1)c1ccc(Cl)cc1 ZINC000420330638 500442378 /nfs/dbraw/zinc/44/23/78/500442378.db2.gz BAQGCZZUDKBMCU-RBUKOAKNSA-N 2 0 363.933 3.371 20 0 FGADRP C[C@H](c1cc2ccccc2o1)N(C)C(=O)C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000420334200 500443020 /nfs/dbraw/zinc/44/30/20/500443020.db2.gz IVXIGSSLUQEHCG-APWZRJJASA-N 2 0 369.509 3.416 20 0 FGADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1ccc(F)c2ccccc12 ZINC000431918010 500443021 /nfs/dbraw/zinc/44/30/21/500443021.db2.gz CQTKZVUHUBMTDX-UHFFFAOYSA-N 2 0 359.489 3.325 20 0 FGADRP Brc1cccc(OCC[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000420338354 500443987 /nfs/dbraw/zinc/44/39/87/500443987.db2.gz XUYGNTUYAMQKHA-LSDHHAIUSA-N 2 0 353.304 3.149 20 0 FGADRP CCCC[NH+]1CCC(NC(=O)N[C@@H]2CCCC[C@@H]2C[NH+](CC)CC)CC1 ZINC000431953942 500447444 /nfs/dbraw/zinc/44/74/44/500447444.db2.gz OMTZETXCDXCRGK-UYAOXDASSA-N 2 0 366.594 3.451 20 0 FGADRP C[C@H]1CCN(CC(=O)Nc2ccccc2Oc2ccccc2)C[C@H]1C[NH3+] ZINC000420378576 500450851 /nfs/dbraw/zinc/45/08/51/500450851.db2.gz MEYXKGNZKASXEF-DLBZAZTESA-N 2 0 353.466 3.334 20 0 FGADRP CSc1ccc(OCC[NH+]2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)cc1 ZINC000420377475 500451260 /nfs/dbraw/zinc/45/12/60/500451260.db2.gz LCDMIRJCFYMSEI-RTBURBONSA-N 2 0 350.528 3.006 20 0 FGADRP [NH3+][C@H]1CCO[C@@H](C2CC[NH+](CCOc3ccc(Cl)c(F)c3)CC2)C1 ZINC000420382564 500451750 /nfs/dbraw/zinc/45/17/50/500451750.db2.gz DQZZGOHJRBBCMQ-KBXCAEBGSA-N 2 0 356.869 3.076 20 0 FGADRP [NH3+][C@H]1CCO[C@@H](C2CC[NH+](CCOc3ccc(F)cc3Cl)CC2)C1 ZINC000420383822 500452408 /nfs/dbraw/zinc/45/24/08/500452408.db2.gz FRHGHHHXVMYEBA-MAUKXSAKSA-N 2 0 356.869 3.076 20 0 FGADRP Brc1cccc(OCC[N@@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)c1 ZINC000420384430 500452671 /nfs/dbraw/zinc/45/26/71/500452671.db2.gz DSYYMRRZEFLTLR-YOEHRIQHSA-N 2 0 353.304 3.292 20 0 FGADRP Cc1oc(-c2ccsc2)nc1C[NH+]1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000420394574 500454770 /nfs/dbraw/zinc/45/47/70/500454770.db2.gz RXPYWNHXSVKYOL-FUHWJXTLSA-N 2 0 361.511 3.430 20 0 FGADRP C[C@@H]1CC2(C[N@@H+]1CC(=O)N[C@@H](c1ccccc1)C1CCCC1)CC[NH2+]CC2 ZINC000424289545 500481775 /nfs/dbraw/zinc/48/17/75/500481775.db2.gz LXGSQOWSGDBSOH-GCJKJVERSA-N 2 0 369.553 3.498 20 0 FGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H](Cc2ccncc2)c2cccs2)CC1 ZINC000424293278 500482716 /nfs/dbraw/zinc/48/27/16/500482716.db2.gz CRWREYQUDZAYKF-UYAOXDASSA-N 2 0 372.582 3.290 20 0 FGADRP C[C@@H](NC(=O)C[N@@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2)c1ccc2c(c1)CCCC2 ZINC000424295864 500482986 /nfs/dbraw/zinc/48/29/86/500482986.db2.gz RLJSHSCQSBWAFG-ZWKOTPCHSA-N 2 0 369.553 3.207 20 0 FGADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC000570580081 506199162 /nfs/dbraw/zinc/19/91/62/506199162.db2.gz LKFBKWYBYQIZPL-XMSQKQJNSA-N 2 0 365.521 3.356 20 0 FGADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC000570580078 506199211 /nfs/dbraw/zinc/19/92/11/506199211.db2.gz LKFBKWYBYQIZPL-AVRDEDQJSA-N 2 0 365.521 3.356 20 0 FGADRP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000420784488 500500606 /nfs/dbraw/zinc/50/06/06/500500606.db2.gz GZFZOSFUQQQRKQ-NRFANRHFSA-N 2 0 372.557 3.298 20 0 FGADRP C[C@@H](CCNC(=O)NC1CCC([NH+](C)C)CC1)[N@H+](C)Cc1ccccc1 ZINC000420791184 500502279 /nfs/dbraw/zinc/50/22/79/500502279.db2.gz HKHBVRLYYGAUAH-KKXNLOMOSA-N 2 0 360.546 3.069 20 0 FGADRP C[C@@H]1C[N@H+](CCC[NH2+]Cc2c[nH]nc2-c2cccc(Cl)c2)CCCO1 ZINC000432356250 500504485 /nfs/dbraw/zinc/50/44/85/500504485.db2.gz HWOKJRRKYNVTIX-OAHLLOKOSA-N 2 0 362.905 3.321 20 0 FGADRP CCC1(CNC(=O)N[C@@H]2CCCC[C@H]2[NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000424458731 500509167 /nfs/dbraw/zinc/50/91/67/500509167.db2.gz CRZWOMXJPJFSGL-WOJBJXKFSA-N 2 0 372.557 3.248 20 0 FGADRP C[C@@H]1CCC[C@H]([NH+]2CCC(NCCC[N@@H+]3CCCO[C@H](C)C3)CC2)C1 ZINC000432416954 500513380 /nfs/dbraw/zinc/51/33/80/500513380.db2.gz JSCHGIHDGOUFJB-SBHAEUEKSA-N 2 0 351.579 3.120 20 0 FGADRP CC[NH+](CC)[C@H](C(=O)NC[C@H]1CCC[NH2+]C1)c1cccc(C(F)(F)F)c1 ZINC000428593436 500531070 /nfs/dbraw/zinc/53/10/70/500531070.db2.gz LSAQRSYHQOENTN-YOEHRIQHSA-N 2 0 371.447 3.204 20 0 FGADRP CC[N@H+](CCNC(=O)N[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1)C(C)C ZINC000428695590 500544677 /nfs/dbraw/zinc/54/46/77/500544677.db2.gz WSNMKIJTZIXTRT-UYAOXDASSA-N 2 0 360.546 3.069 20 0 FGADRP C[N@H+](CCCNC(=O)C1CCC1)[C@@H]1CC[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]12 ZINC000432797208 500565294 /nfs/dbraw/zinc/56/52/94/500565294.db2.gz KLZZBVKGGHQWQR-YPAWHYETSA-N 2 0 369.553 3.135 20 0 FGADRP Cc1ccc(NC(=O)CCN2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)nc1 ZINC000447346809 500594789 /nfs/dbraw/zinc/59/47/89/500594789.db2.gz HCZQFGZRXAWEOU-RBUKOAKNSA-N 2 0 358.530 3.305 20 0 FGADRP C[C@H]([NH2+]CCCN1CC[NH+](Cc2ccccc2)CC1)c1cccc(O)c1 ZINC000442717646 500614218 /nfs/dbraw/zinc/61/42/18/500614218.db2.gz JWCYRPUHWXKZQV-IBGZPJMESA-N 2 0 353.510 3.251 20 0 FGADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H](Cc1ccc(F)cc1)c1ccccc1 ZINC000447533560 500618650 /nfs/dbraw/zinc/61/86/50/500618650.db2.gz RPEIKURYHIWIBP-XMSQKQJNSA-N 2 0 355.501 3.335 20 0 FGADRP [NH3+]C1CC[NH+](CCCC(=O)N[C@@H](c2ccccc2)c2ccc(F)cc2)CC1 ZINC000433143017 500634491 /nfs/dbraw/zinc/63/44/91/500634491.db2.gz GLTJRDHJCYNUBZ-QFIPXVFZSA-N 2 0 369.484 3.235 20 0 FGADRP C[C@@H](c1nc2ccccc2s1)N(C)C(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433148421 500635238 /nfs/dbraw/zinc/63/52/38/500635238.db2.gz ATFZEYFKXXUMNE-AWEZNQCLSA-N 2 0 360.527 3.019 20 0 FGADRP Cc1ccc([C@H]2CCC[C@H]2N(C)C(=O)CCC[NH+]2CCC([NH3+])CC2)cc1 ZINC000433159291 500636566 /nfs/dbraw/zinc/63/65/66/500636566.db2.gz DKCYPBXBGXJGHN-NHCUHLMSSA-N 2 0 357.542 3.293 20 0 FGADRP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000442876580 500637898 /nfs/dbraw/zinc/63/78/98/500637898.db2.gz RVIOUULHWJERMT-HNNXBMFYSA-N 2 0 357.464 3.252 20 0 FGADRP Cc1cc(Cl)cc2c1OCCC[C@H]2[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000442880291 500638856 /nfs/dbraw/zinc/63/88/56/500638856.db2.gz XHGHHEDGKSNHFT-GOSISDBHSA-N 2 0 365.949 3.478 20 0 FGADRP [NH3+]CCCn1ccc2cc(C(=O)N3CC[NH+](C4CCCCC4)CC3)ccc21 ZINC000570630052 506207852 /nfs/dbraw/zinc/20/78/52/506207852.db2.gz HBFAUBCIHQAVMK-UHFFFAOYSA-N 2 0 368.525 3.081 20 0 FGADRP CC[NH+](CC)CCCNC(=O)C1CC[NH+](C[C@H](C)c2ccccc2)CC1 ZINC000573527079 506208059 /nfs/dbraw/zinc/20/80/59/506208059.db2.gz WKZOADDKWCNFFI-IBGZPJMESA-N 2 0 359.558 3.350 20 0 FGADRP CC(C)[C@@H](C[NH2+]CCCc1c(F)cccc1Cl)N1CC[NH+](C)CC1 ZINC000447824020 500670763 /nfs/dbraw/zinc/67/07/63/500670763.db2.gz YVCAYTFPPLJGHX-LJQANCHMSA-N 2 0 355.929 3.273 20 0 FGADRP [NH3+]CC[C@@H]1CCC[N@H+](CC(=O)N[C@@H](c2ccc(F)cc2)C2CCCC2)C1 ZINC000443061677 500671634 /nfs/dbraw/zinc/67/16/34/500671634.db2.gz SDKHHXHOHCYTBD-HRAATJIYSA-N 2 0 361.505 3.234 20 0 FGADRP CC1(C)CC(NC(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)CC(C)(C)[NH2+]1 ZINC000437629643 500671771 /nfs/dbraw/zinc/67/17/71/500671771.db2.gz ZACHWJAZFUIWTO-SFHVURJKSA-N 2 0 364.578 3.392 20 0 FGADRP [NH3+]CC[C@H]1CCC[N@H+](CC(=O)Nc2ccccc2Cc2ccccc2)C1 ZINC000443065376 500672715 /nfs/dbraw/zinc/67/27/15/500672715.db2.gz ZRWDMMLYMNDXQJ-LJQANCHMSA-N 2 0 351.494 3.277 20 0 FGADRP O=C(NCc1ccccc1C[NH+]1CCCC1)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000433574416 500715611 /nfs/dbraw/zinc/71/56/11/500715611.db2.gz IUYMFLZBSFYOAV-NRFANRHFSA-N 2 0 370.541 3.099 20 0 FGADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)NC[C@H](C)[NH+](C)Cc2ccccc2)C1 ZINC000448211735 500733407 /nfs/dbraw/zinc/73/34/07/500733407.db2.gz DYTZEUHWDNXQKD-PZJWPPBQSA-N 2 0 374.573 3.174 20 0 FGADRP C[C@H](NC(=O)NC[C@@H]1[N@H+](C)CCCC1(C)C)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000448252165 500739038 /nfs/dbraw/zinc/73/90/38/500739038.db2.gz LZHVGDACBGMKDT-LNLFQRSKSA-N 2 0 364.578 3.059 20 0 FGADRP C[C@H]1OCC[C@@]12CN(CC(C)(C)C[N@H+](C)Cc1ccccc1)C[C@@H](C)O2 ZINC000448369919 500754991 /nfs/dbraw/zinc/75/49/91/500754991.db2.gz CWFVVGBDRMNRRO-WOIUINJBSA-N 2 0 360.542 3.413 20 0 FGADRP Cc1cccc(CN(CC[NH+](C)C)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)c1 ZINC000443687632 500756232 /nfs/dbraw/zinc/75/62/32/500756232.db2.gz RVSSYAWHVFJZDX-GOSISDBHSA-N 2 0 362.562 3.045 20 0 FGADRP CCO[C@@H]1C[C@](CO)([NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3C)CC2)C1(C)C ZINC000438330765 500770966 /nfs/dbraw/zinc/77/09/66/500770966.db2.gz VTRSGCNLFBPGSW-XFIJJGBISA-N 2 0 352.563 3.185 20 0 FGADRP CC[N@H+](C)CCNC(=O)[C@H](c1c(F)cccc1Cl)N1CCCCC1 ZINC000433984348 500775892 /nfs/dbraw/zinc/77/58/92/500775892.db2.gz HIPDKLBDDNAVOV-KRWDZBQOSA-N 2 0 355.885 3.074 20 0 FGADRP CC(C)OCC[NH+]1CCC(NCc2cnc(C(F)(F)F)s2)CC1 ZINC000443981131 500786796 /nfs/dbraw/zinc/78/67/96/500786796.db2.gz AKGOITZFLDYZSS-UHFFFAOYSA-N 2 0 351.438 3.141 20 0 FGADRP O=C(N[C@H]1CCC[N@H+](Cc2ccccc2)C1)[C@H]1CCC[NH+]1C1CCCC1 ZINC000438582176 500804844 /nfs/dbraw/zinc/80/48/44/500804844.db2.gz SPVOCIQEVFYPRC-PZJWPPBQSA-N 2 0 355.526 3.174 20 0 FGADRP CCCC[N@H+](C)CC1CCN(C(=O)NC[C@H]2CCCC[NH+]2C2CC2)CC1 ZINC000434346780 500829243 /nfs/dbraw/zinc/82/92/43/500829243.db2.gz NZSYPVSSLOCILL-HXUWFJFHSA-N 2 0 364.578 3.157 20 0 FGADRP C[NH+](C)CC[C@H](NC(=O)N(CC[NH+](C)C)Cc1cccs1)C(C)(C)C ZINC000439297304 500882501 /nfs/dbraw/zinc/88/25/01/500882501.db2.gz LWSXCPOKDUYPJP-KRWDZBQOSA-N 2 0 368.591 3.188 20 0 FGADRP C[C@H]1CC(C)(C)C[C@H]1[NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000434778056 500893499 /nfs/dbraw/zinc/89/34/99/500893499.db2.gz ROAKLBBIRYSIRX-FXAWDEMLSA-N 2 0 357.542 3.427 20 0 FGADRP CC[NH+]1CCN([C@@H](C)C[NH2+]Cc2cnc(-c3ccccc3F)s2)CC1 ZINC000449078967 500919487 /nfs/dbraw/zinc/91/94/87/500919487.db2.gz NBQJHGDVXLMPOK-HNNXBMFYSA-N 2 0 362.518 3.065 20 0 FGADRP C[C@@H]([NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1)[C@H]1CCCC[C@H]1C ZINC000449120161 500929627 /nfs/dbraw/zinc/92/96/27/500929627.db2.gz CBFSKGMQMOKVDL-AQNXPRMDSA-N 2 0 359.562 3.183 20 0 FGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]Cc2cc3ccccc3c(OC)c2)CC1 ZINC000449130472 500931124 /nfs/dbraw/zinc/93/11/24/500931124.db2.gz GRKYYUYSDLVZSN-SFHVURJKSA-N 2 0 355.526 3.212 20 0 FGADRP COc1cccc2c(C[NH2+]CC3CC[NH+](CCN(C)C)CC3)cccc12 ZINC000449131420 500932123 /nfs/dbraw/zinc/93/21/23/500932123.db2.gz MOHRSOMWRPTZEK-UHFFFAOYSA-N 2 0 355.526 3.212 20 0 FGADRP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]CC2(C(=O)N(C)C)CCCC2)CC1 ZINC000449138836 500933506 /nfs/dbraw/zinc/93/35/06/500933506.db2.gz JBPIJLPFJAOBEJ-LJQANCHMSA-N 2 0 371.569 3.320 20 0 FGADRP C[C@@H](C[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)c1ccc(S(C)(=O)=O)cc1 ZINC000449143792 500934720 /nfs/dbraw/zinc/93/47/20/500934720.db2.gz RHKIHWLINSGGAZ-YJBOKZPZSA-N 2 0 354.560 3.150 20 0 FGADRP C[C@@H](C[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1)CN1CCOCC1 ZINC000449162945 500938286 /nfs/dbraw/zinc/93/82/86/500938286.db2.gz KUDXJGYGQBINEK-SFHVURJKSA-N 2 0 353.595 3.224 20 0 FGADRP O=C(NC[C@H]1CC[N@H+](CCc2ccccc2)C1)[C@H]1CCC[NH+]1C1CCCC1 ZINC000439844137 500944985 /nfs/dbraw/zinc/94/49/85/500944985.db2.gz SVMLKKMCQBYXKN-IFMALSPDSA-N 2 0 369.553 3.074 20 0 FGADRP O=C(NC[C@@H]1CCC[N@H+](Cc2ccc(-c3ccccc3)o2)C1)[C@@H]1CCC[NH2+]1 ZINC000435375363 500962255 /nfs/dbraw/zinc/96/22/55/500962255.db2.gz UPDDRQXGOURUPM-PXNSSMCTSA-N 2 0 367.493 3.027 20 0 FGADRP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1cnn(Cc2ccc(C(F)(F)F)cc2)c1 ZINC000435373943 500962546 /nfs/dbraw/zinc/96/25/46/500962546.db2.gz OLKKONUPICHZOI-UKRRQHHQSA-N 2 0 352.404 3.119 20 0 FGADRP C[C@H]([NH3+])[C@H]1CCC[N@H+](Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)C1 ZINC000435383764 500964276 /nfs/dbraw/zinc/96/42/76/500964276.db2.gz JSWMQVSZIAQCTE-ZFWWWQNUSA-N 2 0 352.404 3.450 20 0 FGADRP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3cn(-c4ccccc4)nc3-c3ccncc3)C[C@@H]12 ZINC000435388655 500965760 /nfs/dbraw/zinc/96/57/60/500965760.db2.gz IHNUVQOLCZVWPS-IOMROCGXSA-N 2 0 359.477 3.103 20 0 FGADRP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccc(-n4ccc(C(F)(F)F)n4)cc3)C[C@@H]12 ZINC000435387572 500965963 /nfs/dbraw/zinc/96/59/63/500965963.db2.gz ASMRHJVRWALUKB-FVQBIDKESA-N 2 0 350.388 3.060 20 0 FGADRP CC[NH2+]CC1CC[NH+](Cc2ccc(OCC(F)(F)F)c(OC)c2)CC1 ZINC000435390067 500966610 /nfs/dbraw/zinc/96/66/10/500966610.db2.gz QHXIHSHDUULCGI-UHFFFAOYSA-N 2 0 360.420 3.458 20 0 FGADRP [NH3+]C[C@H]1CC[N@H+](Cc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)C1 ZINC000435396815 500967219 /nfs/dbraw/zinc/96/72/19/500967219.db2.gz ZAFLLQVFUOYKDI-MRXNPFEDSA-N 2 0 350.441 3.459 20 0 FGADRP O=C(Nc1ccc(CC[NH+]2CCCC2)cc1)[C@]1(c2ccccc2)CC[NH2+]C1 ZINC000449338014 500981370 /nfs/dbraw/zinc/98/13/70/500981370.db2.gz RAIGCGVHKCLJNB-HSZRJFAPSA-N 2 0 363.505 3.195 20 0 FGADRP C[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]C2CCC(CS(C)(=O)=O)CC2)CC1 ZINC000449369137 500988411 /nfs/dbraw/zinc/98/84/11/500988411.db2.gz BBRJMZQPCMPSSD-NNZWXOEDSA-N 2 0 370.603 3.223 20 0 FGADRP Cn1ccnc1CN(C(=O)CCCC1CCCC1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435561193 500991872 /nfs/dbraw/zinc/99/18/72/500991872.db2.gz RJEQBQWSOSUHRU-GOSISDBHSA-N 2 0 358.530 3.251 20 0 FGADRP CN(CC(=O)Nc1c(Cl)cccc1C(F)(F)F)[C@H]1CCC[NH2+]CC1 ZINC000435616095 501002627 /nfs/dbraw/zinc/00/26/27/501002627.db2.gz LEFRYPQTEULGKY-NSHDSACASA-N 2 0 363.811 3.371 20 0 FGADRP CCN(CC(=O)N[C@@H](c1cccs1)C(C)(C)C)[C@@H]1CCC[NH2+]CC1 ZINC000435615639 501002679 /nfs/dbraw/zinc/00/26/79/501002679.db2.gz ILOOEONGHJXSKG-QAPCUYQASA-N 2 0 351.560 3.416 20 0 FGADRP CCCOc1c(OC)cc(CC[NH2+][C@H]2CC[N@H+](CC)C[C@@H]2C)cc1OC ZINC000449487087 501014683 /nfs/dbraw/zinc/01/46/83/501014683.db2.gz WPQWAZMKNOVSDM-WMZOPIPTSA-N 2 0 364.530 3.355 20 0 FGADRP CCO[C@H]1CC[N@H+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)C[C@H]1C ZINC000449490817 501015553 /nfs/dbraw/zinc/01/55/53/501015553.db2.gz CZZSNDOMZJJWHR-GCJKJVERSA-N 2 0 359.558 3.464 20 0 FGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N(CC)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000440538764 501020907 /nfs/dbraw/zinc/02/09/07/501020907.db2.gz RPOMDJASFIBYIM-SFTDATJTSA-N 2 0 357.542 3.231 20 0 FGADRP CN(CC1([NH+](C)C)CCC1)C(=O)NC[C@@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000445972483 501056568 /nfs/dbraw/zinc/05/65/68/501056568.db2.gz WMUYJSZSBPVCHV-FQEVSTJZSA-N 2 0 372.557 3.023 20 0 FGADRP C[NH+]1CCC(CCNC(=O)NCC[NH+]2CCC3(CCCCC3)CC2)CC1 ZINC000441007310 501074268 /nfs/dbraw/zinc/07/42/68/501074268.db2.gz CHPDISOJHJHRJX-UHFFFAOYSA-N 2 0 364.578 3.064 20 0 FGADRP CC(C)[N@@H+]1CC[C@H](N(C)Cc2ccccc2N(C)C2CC[NH+](C)CC2)C1 ZINC000449785991 501087244 /nfs/dbraw/zinc/08/72/44/501087244.db2.gz KJLSXINHFVSGQQ-NRFANRHFSA-N 2 0 358.574 3.132 20 0 FGADRP CC(C)Oc1ccc2[nH+]ccc(N3CC[NH+](C[C@H]4CCOC4)CC3)c2c1 ZINC000450369502 501102136 /nfs/dbraw/zinc/10/21/36/501102136.db2.gz PSSKDRFXVTZRJI-QGZVFWFLSA-N 2 0 355.482 3.181 20 0 FGADRP Fc1ccc(C[N@@H+]2CC[C@]3(CCOC3)C2)cc1C[NH+]1CC[C@]2(CCOC2)C1 ZINC000450484851 501133653 /nfs/dbraw/zinc/13/36/53/501133653.db2.gz NIGQVDOOAPVXFD-VXKWHMMOSA-N 2 0 374.500 3.051 20 0 FGADRP O=C(CC[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1)NCc1ccccc1Cl ZINC000441449872 501141467 /nfs/dbraw/zinc/14/14/67/501141467.db2.gz RMOPWVHNLPDELE-QGZVFWFLSA-N 2 0 363.933 3.154 20 0 FGADRP CCN(C(=O)NCC1([NH+](C)C)CCC1)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000446611708 501141706 /nfs/dbraw/zinc/14/17/06/501141706.db2.gz ACGGRCVUJVGGHA-UYAOXDASSA-N 2 0 372.557 3.338 20 0 FGADRP CN(CC[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1)Cc1ccccc1 ZINC000450643156 501173683 /nfs/dbraw/zinc/17/36/83/501173683.db2.gz QJBMUXNTPGBGCG-UHFFFAOYSA-N 2 0 352.526 3.362 20 0 FGADRP COC(=O)c1cc2c(o1)c(OC)ccc2C[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000446883854 501177087 /nfs/dbraw/zinc/17/70/87/501177087.db2.gz KJQLBIOLFIEVMB-UHFFFAOYSA-N 2 0 372.465 3.192 20 0 FGADRP CCCC[N@H+](C)CC1CCN(C(=O)NCC2CC[NH+](C3CC3)CC2)CC1 ZINC000447040607 501196328 /nfs/dbraw/zinc/19/63/28/501196328.db2.gz VIALFSLDPFJFKZ-UHFFFAOYSA-N 2 0 364.578 3.014 20 0 FGADRP C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)c2sccc2C[NH+](C)C)C1 ZINC000447090426 501204017 /nfs/dbraw/zinc/20/40/17/501204017.db2.gz LORRFUGYQXRDQY-HOTGVXAUSA-N 2 0 351.560 3.298 20 0 FGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+][C@@H](C)Cc2cnccn2)CC1 ZINC000453094060 501267367 /nfs/dbraw/zinc/26/73/67/501267367.db2.gz GKXLKMPLJIOEBW-DLBZAZTESA-N 2 0 371.504 3.039 20 0 FGADRP C[C@H]([NH2+]C[C@@H](O)Cc1cccc(F)c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000453248370 501298682 /nfs/dbraw/zinc/29/86/82/501298682.db2.gz PNGIZAGPLMSMKL-JXFKEZNVSA-N 2 0 360.473 3.020 20 0 FGADRP COCC1(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)CCOCC1 ZINC000453249685 501299540 /nfs/dbraw/zinc/29/95/40/501299540.db2.gz YNPHTFPERTYCLA-YPAWHYETSA-N 2 0 372.553 3.462 20 0 FGADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([N@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)CC1 ZINC000453277355 501306008 /nfs/dbraw/zinc/30/60/08/501306008.db2.gz JEFVEFOGSUMPJD-HDAAZOAOSA-N 2 0 369.553 3.311 20 0 FGADRP C[N@H+](CCCC[NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1)C1CC1 ZINC000453413840 501326955 /nfs/dbraw/zinc/32/69/55/501326955.db2.gz WMUJHPWXTYAXFH-UHFFFAOYSA-N 2 0 363.933 3.409 20 0 FGADRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2cc(-c3ccc(C)cc3)no2)CC1 ZINC000451983382 501413125 /nfs/dbraw/zinc/41/31/25/501413125.db2.gz KQTHDPOTRMPIDI-UHFFFAOYSA-N 2 0 356.514 3.156 20 0 FGADRP CCC[NH+]1CCC(CNC(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)CC1 ZINC000455945559 501422400 /nfs/dbraw/zinc/42/24/00/501422400.db2.gz WJHDIQLBYMEUMO-FQEVSTJZSA-N 2 0 358.530 3.479 20 0 FGADRP C[C@H](CNC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C)[NH+]1CCC(C)CC1 ZINC000455947595 501423595 /nfs/dbraw/zinc/42/35/95/501423595.db2.gz XMSPPZVUYDTLPM-UZLBHIALSA-N 2 0 358.530 3.477 20 0 FGADRP C[C@H]([NH2+]C(C)(C)CNC(=O)NCc1ccc2c[nH+]cn2c1)c1ccccc1 ZINC000458367775 501428426 /nfs/dbraw/zinc/42/84/26/501428426.db2.gz HTOXCCKTFIFKJK-INIZCTEOSA-N 2 0 365.481 3.263 20 0 FGADRP CC(C)[NH+]1CCN(c2ccc(C(=O)NC(C)(C)CCC[NH+](C)C)cc2)CC1 ZINC000456162082 501467107 /nfs/dbraw/zinc/46/71/07/501467107.db2.gz ASOFVKRBPQDZJN-UHFFFAOYSA-N 2 0 374.573 3.067 20 0 FGADRP CC1CC[NH+](C2CCC(NC(=O)NC(C)(C)CCC[NH+](C)C)CC2)CC1 ZINC000458567078 501476411 /nfs/dbraw/zinc/47/64/11/501476411.db2.gz JSUIBLIGGJCQLU-UHFFFAOYSA-N 2 0 366.594 3.449 20 0 FGADRP C[C@@H](NC(=O)NCCCCC[NH+]1CCCC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000458638179 501495279 /nfs/dbraw/zinc/49/52/79/501495279.db2.gz SUVOQNITOBGVMO-RTBURBONSA-N 2 0 364.578 3.205 20 0 FGADRP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)NC[C@H](C2CC2)[NH+](C)Cc2ccccc2)C1 ZINC000458665701 501502920 /nfs/dbraw/zinc/50/29/20/501502920.db2.gz JCFAYWYUBVVNOJ-NHCUHLMSSA-N 2 0 372.557 3.021 20 0 FGADRP C[C@H](NC(=O)NC(C)(C)CCC[NH+](C)C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000458670730 501503934 /nfs/dbraw/zinc/50/39/34/501503934.db2.gz IJUDKDCSGYAYRL-ICSRJNTNSA-N 2 0 374.573 3.317 20 0 FGADRP C[C@@H](CNC(=O)NCc1ccccc1C[N@H+](C)C1CCCCC1)[NH+](C)C ZINC000454357391 501522451 /nfs/dbraw/zinc/52/24/51/501522451.db2.gz CRXNOYSBGMHIFT-KRWDZBQOSA-N 2 0 360.546 3.200 20 0 FGADRP CCc1ccc([C@H](CNC(=O)N(C)C[C@H]2CC[N@H+](C)C2)[NH+](CC)CC)cc1 ZINC000458793582 501533002 /nfs/dbraw/zinc/53/30/02/501533002.db2.gz NNMHKNFPPWXSDI-FPOVZHCZSA-N 2 0 374.573 3.225 20 0 FGADRP C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)NCC1([NH+](C)Cc2ccccc2)CCC1 ZINC000458981239 501570153 /nfs/dbraw/zinc/57/01/53/501570153.db2.gz TVOYEKFNXKUXSO-AZUAARDMSA-N 2 0 372.557 3.023 20 0 FGADRP CCOC[C@H](O)C[N@@H+]1CC(C)(C)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000453007306 501600077 /nfs/dbraw/zinc/60/00/77/501600077.db2.gz CWZMYCRQJSWZSP-RTWAWAEBSA-N 2 0 360.542 3.006 20 0 FGADRP CN(C(=O)NCCCC[NH+](C)C1CC1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000459158320 501605647 /nfs/dbraw/zinc/60/56/47/501605647.db2.gz NCOCZKAECQPXKS-NRFANRHFSA-N 2 0 372.557 3.167 20 0 FGADRP C[N@@H+]1CCC[C@H](CCNC(=O)NC(C)(C)CC[NH+]2CCCCCC2)C1 ZINC000459327848 501631681 /nfs/dbraw/zinc/63/16/81/501631681.db2.gz XVCKWPQJIQBOHJ-GOSISDBHSA-N 2 0 352.567 3.062 20 0 FGADRP C[C@H]1CN(c2ccccc2CN2CCC[C@H]([NH+]3CCCC3)CC2)CCO1 ZINC000459350820 501637146 /nfs/dbraw/zinc/63/71/46/501637146.db2.gz SVBYQDKIGBISND-FPOVZHCZSA-N 2 0 357.542 3.362 20 0 FGADRP Clc1cccc(CC[NH2+]CCCN2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000459383393 501643700 /nfs/dbraw/zinc/64/37/00/501643700.db2.gz BMGWKDUEVCWICS-UHFFFAOYSA-N 2 0 358.917 3.079 20 0 FGADRP Cc1cc(F)c(CNC2CC[NH+](C3CCN(C)CC3)CC2)c(Cl)c1 ZINC000459390139 501645157 /nfs/dbraw/zinc/64/51/57/501645157.db2.gz OUWKWBCNWSWCJU-UHFFFAOYSA-N 2 0 353.913 3.436 20 0 FGADRP COc1ccc(-c2ccccc2C)cc1C[NH2+]CC1CC[NH+](CCO)CC1 ZINC000459397313 501646509 /nfs/dbraw/zinc/64/65/09/501646509.db2.gz HDUXZADZHAQBPT-UHFFFAOYSA-N 2 0 368.521 3.465 20 0 FGADRP CC[N@H+](CCNC(=O)N1CCC[NH+](CCCc2ccccc2)CC1)C(C)C ZINC000588303397 506265772 /nfs/dbraw/zinc/26/57/72/506265772.db2.gz WZJVSZATQCAPFH-UHFFFAOYSA-N 2 0 374.573 3.067 20 0 FGADRP CC(C)C[C@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)C(=O)Nc1nccs1 ZINC000459439072 501653837 /nfs/dbraw/zinc/65/38/37/501653837.db2.gz JYPVGWKZIUUIMD-KRWDZBQOSA-N 2 0 373.526 3.150 20 0 FGADRP O=C1[C@@H]([NH2+]C2CCN(c3cc[nH+]cc3)CC2)CCN1c1ccc(Cl)cc1 ZINC000459442400 501654632 /nfs/dbraw/zinc/65/46/32/501654632.db2.gz JLPFGAZDQWUOGC-IBGZPJMESA-N 2 0 370.884 3.099 20 0 FGADRP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccccc2N2CCO[C@@H](C)C2)C1 ZINC000459447406 501655442 /nfs/dbraw/zinc/65/54/42/501655442.db2.gz JODXQBSJCHUTKC-PMACEKPBSA-N 2 0 359.558 3.369 20 0 FGADRP c1cc(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)cc(C[NH+]2CCCC2)c1 ZINC000459464399 501658544 /nfs/dbraw/zinc/65/85/44/501658544.db2.gz MEGGFNNXAAOFEB-UHFFFAOYSA-N 3 0 350.510 3.436 20 0 FGADRP C[C@H](C(=O)N(C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1)[NH+]1CCCCCC1 ZINC000470669369 501760243 /nfs/dbraw/zinc/76/02/43/501760243.db2.gz JXQGROKOMOWCCB-TZIWHRDSSA-N 2 0 357.542 3.374 20 0 FGADRP Cc1ccccc1-n1nccc1C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000474269523 501768431 /nfs/dbraw/zinc/76/84/31/501768431.db2.gz VRUIQRWGCFBFOG-UHFFFAOYSA-N 2 0 368.525 3.115 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@H]([C@@H]3CCOC3)C2)[C@H](C)C1 ZINC000467354154 501775485 /nfs/dbraw/zinc/77/54/85/501775485.db2.gz LXLPRQOALGCSGY-XNTOXWQXSA-N 2 0 352.563 3.308 20 0 FGADRP C[NH+](C)CCOc1ccc(CC[NH2+][C@H](c2cncc(F)c2)C2CC2)cc1 ZINC000467352301 501775503 /nfs/dbraw/zinc/77/55/03/501775503.db2.gz GBLXJSJKBZLSQI-NRFANRHFSA-N 2 0 357.473 3.445 20 0 FGADRP C[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]CCN2CCc3ccccc3C2=O)CC1 ZINC000467367753 501779059 /nfs/dbraw/zinc/77/90/59/501779059.db2.gz ZTZGHMWVFKFIOX-AVRDEDQJSA-N 2 0 369.553 3.318 20 0 FGADRP CC[NH+](CC)[C@H](C)CNC(=O)N(C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000470742178 501789078 /nfs/dbraw/zinc/78/90/78/501789078.db2.gz GSAPRTCTCGVCOE-QUCCMNQESA-N 2 0 360.546 3.023 20 0 FGADRP C[C@@H]([NH2+]CC(C)(C)C[NH+]1CCCC1)[C@@H](c1ccccc1)N1CCOCC1 ZINC000477910793 501826610 /nfs/dbraw/zinc/82/66/10/501826610.db2.gz GFQKQLDZASCEEM-CTNGQTDRSA-N 2 0 359.558 3.160 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@H]2CCO[C@@H]2c2ccccc2)[C@@H](C)C1 ZINC000477926195 501831268 /nfs/dbraw/zinc/83/12/68/501831268.db2.gz KNSFOGLUZZYYDY-WSWWRLHASA-N 2 0 360.542 3.491 20 0 FGADRP C[C@@H](CCNC(=O)NC1CC([NH+]2CCCCC2)C1)[N@H+](C)Cc1ccccc1 ZINC000474439367 501837764 /nfs/dbraw/zinc/83/77/64/501837764.db2.gz MBWUDSFHMKHBFF-PELRDEGISA-N 2 0 372.557 3.213 20 0 FGADRP CCC(CC)[C@@H](CNC(=O)NCc1ccc(C[NH+](C)C)cc1)[NH+]1CCCC1 ZINC000611738147 506277980 /nfs/dbraw/zinc/27/79/80/506277980.db2.gz WDTTZRWFIJUQKT-OAQYLSRUSA-N 2 0 374.573 3.448 20 0 FGADRP CC[N@@H+]1CC[C@H]([NH+](C)CCC(=O)Nc2ccc(OC)c(Cl)c2)C[C@@H]1C ZINC000485671593 501896590 /nfs/dbraw/zinc/89/65/90/501896590.db2.gz JBQPONCWVPFCHU-HOCLYGCPSA-N 2 0 367.921 3.482 20 0 FGADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NC[C@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC000467973648 501917198 /nfs/dbraw/zinc/91/71/98/501917198.db2.gz NUVGLEQACXCKCZ-IRFCIJBXSA-N 2 0 357.542 3.449 20 0 FGADRP CC(C)C[C@@H](CNC(=O)NCC1CC[NH+](C)CC1)[NH2+][C@H](C)c1ccccc1 ZINC000468024630 501933831 /nfs/dbraw/zinc/93/38/31/501933831.db2.gz BJBAQRPMXITGCZ-NQIIRXRSSA-N 2 0 374.573 3.393 20 0 FGADRP CC(C)C[C@H](CNC(=O)N1CCC[C@H]([NH+](C)C)C1)[NH2+][C@@H](C)c1ccccc1 ZINC000468029095 501934714 /nfs/dbraw/zinc/93/47/14/501934714.db2.gz JTVQBWUAHHKCJN-TYPHKJRUSA-N 2 0 374.573 3.488 20 0 FGADRP CC(C)[C@@H]1CCC[C@@H]([NH2+]CC2CC[NH+](CC(=O)NC(C)(C)C)CC2)C1 ZINC000474807680 501959521 /nfs/dbraw/zinc/95/95/21/501959521.db2.gz JILXFHSCUYSYOQ-RTBURBONSA-N 2 0 351.579 3.418 20 0 FGADRP O=C(NC1CC[NH+](CC2CCCC2)CC1)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000478482996 501996599 /nfs/dbraw/zinc/99/65/99/501996599.db2.gz ILMKSBVNEVAWOR-IBGZPJMESA-N 2 0 361.574 3.412 20 0 FGADRP CC[NH+](CC)CCOC1CC[NH+](CCCc2ccc3c(c2)CCO3)CC1 ZINC000482174315 501997497 /nfs/dbraw/zinc/99/74/97/501997497.db2.gz YVWUFTZMRAFBEL-UHFFFAOYSA-N 2 0 360.542 3.377 20 0 FGADRP CN1CCC([NH+]2CCC(CC[N@H+](C)C[C@H](O)CC3CCCC3)CC2)CC1 ZINC000475037345 502029173 /nfs/dbraw/zinc/02/91/73/502029173.db2.gz CUPCVUUZGBWPKZ-JOCHJYFZSA-N 2 0 365.606 3.056 20 0 FGADRP CCCN(CCC[NH+](C)C)C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000468360717 502035176 /nfs/dbraw/zinc/03/51/76/502035176.db2.gz WODJIJVIYHMIHY-UHFFFAOYSA-N 2 0 374.573 3.272 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1c(C)oc2ccccc21 ZINC000464654922 502056934 /nfs/dbraw/zinc/05/69/34/502056934.db2.gz CNHIFFHGCBTRST-QGZVFWFLSA-N 2 0 357.498 3.229 20 0 FGADRP C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000475121754 502067694 /nfs/dbraw/zinc/06/76/94/502067694.db2.gz SELQKLAJHMHOIN-ROUUACIJSA-N 2 0 364.578 3.346 20 0 FGADRP CC(C)[N@H+](C)CCNC(=O)N1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000475128552 502069319 /nfs/dbraw/zinc/06/93/19/502069319.db2.gz JDIVOWGPBKMHFQ-JOCHJYFZSA-N 2 0 372.557 3.024 20 0 FGADRP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH2+][C@H]2CCCC[C@@H]2C)CC1 ZINC000475151851 502082552 /nfs/dbraw/zinc/08/25/52/502082552.db2.gz SGCZSMAMLYMHPR-FPOVZHCZSA-N 2 0 357.542 3.198 20 0 FGADRP CC(C)[C@H](CNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C)[N@@H+]1CCc2ccccc2C1 ZINC000468525295 502092021 /nfs/dbraw/zinc/09/20/21/502092021.db2.gz VDBDZNWYGAEITN-WFXMLNOXSA-N 2 0 357.542 3.058 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cnc2ccccc2c1C ZINC000482525202 502099461 /nfs/dbraw/zinc/09/94/61/502099461.db2.gz QVNLYWMIVPUXHE-SFHVURJKSA-N 2 0 368.525 3.031 20 0 FGADRP COc1ccc2cc([C@H](C)[NH2+]CCC[N@@H+]3CCC[C@@H](C(N)=O)C3)ccc2c1 ZINC000482534674 502103346 /nfs/dbraw/zinc/10/33/46/502103346.db2.gz JUMSDFKQGQDZTE-OXJNMPFZSA-N 2 0 369.509 3.086 20 0 FGADRP C[N@H+](CCNC(=O)NC[C@H]1CC[NH+](Cc2ccccc2)C1)C1CCCCC1 ZINC000471772391 502133241 /nfs/dbraw/zinc/13/32/41/502133241.db2.gz SCSSENQNZOUHLY-HXUWFJFHSA-N 2 0 372.557 3.072 20 0 FGADRP NC(=O)[C@@H]1CCCN1CCC[NH2+][C@@H]1CCCSc2ccc(Cl)cc21 ZINC000482633879 502134134 /nfs/dbraw/zinc/13/41/34/502134134.db2.gz RXRZTKTUBWWRHM-CVEARBPZSA-N 2 0 367.946 3.196 20 0 FGADRP CC(C)[NH+]1CCC(C(=O)N2CCCC[C@@H]2[C@H](C[NH3+])Cc2ccccc2)CC1 ZINC000471790015 502137975 /nfs/dbraw/zinc/13/79/75/502137975.db2.gz UETJLYHKUNRWBD-FCHUYYIVSA-N 2 0 371.569 3.306 20 0 FGADRP CCCN(CCC[NH+](C)C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000468664663 502140229 /nfs/dbraw/zinc/14/02/29/502140229.db2.gz BQKPIRQMVMDBJX-TZIWHRDSSA-N 2 0 374.573 3.270 20 0 FGADRP [NH3+]C[C@@H](Cc1ccccc1)[C@H]1CCCCN1CC(=O)Nc1ccccc1 ZINC000471832155 502147640 /nfs/dbraw/zinc/14/76/40/502147640.db2.gz JUAJOGVVWAXZJD-TZIWHRDSSA-N 2 0 351.494 3.297 20 0 FGADRP C[C@@H](C[NH2+][C@H]1CCCc2cc(Br)ccc21)N1CC[NH+](C)CC1 ZINC000479068376 502152612 /nfs/dbraw/zinc/15/26/12/502152612.db2.gz XCUNGDXKWBZXQL-KSSFIOAISA-N 2 0 366.347 3.052 20 0 FGADRP CCCN(CCC[NH+](C)C)C(=O)N[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000468749593 502169574 /nfs/dbraw/zinc/16/95/74/502169574.db2.gz NNUKJOXJVPCLQM-FPOVZHCZSA-N 2 0 374.573 3.270 20 0 FGADRP C[NH+]1CCN(c2ccc(C[NH2+][C@H]3CCc4ccc(Cl)cc43)cn2)CC1 ZINC000479228952 502199649 /nfs/dbraw/zinc/19/96/49/502199649.db2.gz XKRPYQUXUVULMX-IBGZPJMESA-N 2 0 356.901 3.264 20 0 FGADRP CCCC[N@H+](C)C[C@H](C)NC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000461799158 502206752 /nfs/dbraw/zinc/20/67/52/502206752.db2.gz CZXAVGGQRVWCGM-PMACEKPBSA-N 2 0 366.594 3.404 20 0 FGADRP Clc1cnc(C[NH2+]CCCC[NH+]2CCN(c3ccccc3)CC2)s1 ZINC000472048743 502210761 /nfs/dbraw/zinc/21/07/61/502210761.db2.gz MWYAMNJZCSMTGZ-UHFFFAOYSA-N 2 0 364.946 3.489 20 0 FGADRP CCN(CCC[NH+](CC)CC)C(=O)N[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000472066957 502217702 /nfs/dbraw/zinc/21/77/02/502217702.db2.gz ZKIPGQYFXJIMLF-RTBURBONSA-N 2 0 366.594 3.403 20 0 FGADRP CCN(CCC[NH+](CC)CC)C(=O)NC[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000472093114 502228797 /nfs/dbraw/zinc/22/87/97/502228797.db2.gz GTRPXUJCHBNLSW-IBGZPJMESA-N 2 0 374.573 3.197 20 0 FGADRP O=C(N[C@H]1CC[N@H+](CC2CCCC2)C1)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000468939027 502237474 /nfs/dbraw/zinc/23/74/74/502237474.db2.gz LZQLVGUDRTWYEW-NRFANRHFSA-N 2 0 364.493 3.241 20 0 FGADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)CCCCN2C(=O)c3ccccc3C2=O)C1 ZINC000472139919 502245686 /nfs/dbraw/zinc/24/56/86/502245686.db2.gz IYJNOHFNAIKUMG-ZWKOTPCHSA-N 2 0 371.525 3.163 20 0 FGADRP CC[NH+](CC)CCCNC(=O)N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000479408849 502249093 /nfs/dbraw/zinc/24/90/93/502249093.db2.gz DSGMSYZGMXCYOV-IBGZPJMESA-N 2 0 366.594 3.404 20 0 FGADRP Cc1cc(C)n(CC[N@@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)n1 ZINC000475732536 502269081 /nfs/dbraw/zinc/26/90/81/502269081.db2.gz YGLRGDBLKSQAER-JOCHJYFZSA-N 2 0 352.526 3.488 20 0 FGADRP CC(C)[N@@H+](C)C[C@H](C)NC(=O)N(C)[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000462010635 502273541 /nfs/dbraw/zinc/27/35/41/502273541.db2.gz OTYOYQXVAYLALD-AZUAARDMSA-N 2 0 360.546 3.021 20 0 FGADRP CC(C)[N@@H+](C)C[C@H](C)NC(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000462016157 502275481 /nfs/dbraw/zinc/27/54/81/502275481.db2.gz QGKCINPAHAWSML-SFHVURJKSA-N 2 0 360.546 3.021 20 0 FGADRP CC[C@@H](C)[N@H+](C)CCNC(=O)N1CCC(CC[NH+]2CCCC[C@@H]2C)CC1 ZINC000479526240 502286692 /nfs/dbraw/zinc/28/66/92/502286692.db2.gz KRJOEPVCVCSBRF-MOPGFXCFSA-N 2 0 366.594 3.403 20 0 FGADRP C[C@@H]1C[N@H+](CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)C(C)(C)C1 ZINC000472277895 502295321 /nfs/dbraw/zinc/29/53/21/502295321.db2.gz OCHWLOPBGUQVMP-INIZCTEOSA-N 2 0 361.555 3.294 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCC(C)(C)c1ccccc1 ZINC000465550146 502302649 /nfs/dbraw/zinc/30/26/49/502302649.db2.gz WLGCBGKJDIVYOQ-HXUWFJFHSA-N 2 0 374.573 3.022 20 0 FGADRP COc1c[nH+]ccc1N1CC[NH+](CC[C@@H](C)OCc2ccccc2)CC1 ZINC000483195019 502310405 /nfs/dbraw/zinc/31/04/05/502310405.db2.gz ASQFBCVCXCZNIZ-GOSISDBHSA-N 2 0 355.482 3.208 20 0 FGADRP CCC(CC)[C@@H](CNC(=O)N1CC[C@@H]([NH+](CC)CC)C1)[NH+]1CCCC1 ZINC000465568403 502310564 /nfs/dbraw/zinc/31/05/64/502310564.db2.gz DHBBATXUUCJDMG-RTBURBONSA-N 2 0 352.567 3.013 20 0 FGADRP C[C@@H]1C[N@@H+](Cc2ccc(C[NH2+]C/C=C\c3ccncc3)cc2)C[C@H](C)O1 ZINC000486965324 502317898 /nfs/dbraw/zinc/31/78/98/502317898.db2.gz IRMHQDJUEOSULE-FANKGXDISA-N 2 0 351.494 3.494 20 0 FGADRP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCCC[NH+]1CCCC1 ZINC000465627787 502329836 /nfs/dbraw/zinc/32/98/36/502329836.db2.gz HFGYUFMRMXKNOR-NRFANRHFSA-N 2 0 372.557 3.026 20 0 FGADRP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)C1 ZINC000465747428 502369097 /nfs/dbraw/zinc/36/90/97/502369097.db2.gz FNMFPTHAPVCNMN-GUDVDZBRSA-N 2 0 366.594 3.259 20 0 FGADRP CO[C@H](CC[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12)C(F)(F)F ZINC000469321195 502375171 /nfs/dbraw/zinc/37/51/71/502375171.db2.gz HDHZWBJAEWDUNE-BRSBDYLESA-N 2 0 356.432 3.454 20 0 FGADRP CCCN(CC[NH+]1CCCCC1)C(=O)NCCCC[NH+]1CCC(C)CC1 ZINC000479808533 502384270 /nfs/dbraw/zinc/38/42/70/502384270.db2.gz BZFIJCFILPCYFE-UHFFFAOYSA-N 2 0 366.594 3.406 20 0 FGADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@H](CO)Cc1ccccc1OC(F)(F)F ZINC000483451385 502396881 /nfs/dbraw/zinc/39/68/81/502396881.db2.gz CPDMWYAHERJMJB-KCYZZUKISA-N 2 0 374.447 3.055 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)C[C@H]1C ZINC000483494475 502411075 /nfs/dbraw/zinc/41/10/75/502411075.db2.gz ADIPZMYLHQZARA-GIVPXCGWSA-N 2 0 372.557 3.338 20 0 FGADRP CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)NCCC1CC[NH+](C)CC1 ZINC000469425824 502412618 /nfs/dbraw/zinc/41/26/18/502412618.db2.gz GMOYMLQOCHVZGR-OAQYLSRUSA-N 2 0 374.573 3.174 20 0 FGADRP CC(C)[C@H](C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1)[NH+](C)C ZINC000483558509 502431684 /nfs/dbraw/zinc/43/16/84/502431684.db2.gz JIGPKKFTJBXAHI-PWRODBHTSA-N 2 0 357.542 3.086 20 0 FGADRP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC000472761186 502432381 /nfs/dbraw/zinc/43/23/81/502432381.db2.gz DBUMTVPBKXVHML-DOTOQJQBSA-N 2 0 364.921 3.260 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CNC(=O)NCc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000465942617 502434867 /nfs/dbraw/zinc/43/48/67/502434867.db2.gz NJURYCNPTLGFBB-NRFANRHFSA-N 2 0 372.557 3.202 20 0 FGADRP COc1ccc(OC)c([C@H](C)[NH2+]C2CCN(Cc3ccccn3)CC2)c1 ZINC000479997077 502439978 /nfs/dbraw/zinc/43/99/78/502439978.db2.gz RDMXJHJRUSTRBH-INIZCTEOSA-N 2 0 355.482 3.414 20 0 FGADRP CCCC[N@H+](C)CC1CCN(C(=O)N[C@H](C)C[NH+]2CCCCCC2)CC1 ZINC000483619205 502444534 /nfs/dbraw/zinc/44/45/34/502444534.db2.gz FIPXIYYSQRXGMS-LJQANCHMSA-N 2 0 366.594 3.404 20 0 FGADRP C[C@H](CCNC(=O)NCCC[NH+]1CCCCC1)[N@H+](C)Cc1ccccc1 ZINC000472933869 502475308 /nfs/dbraw/zinc/47/53/08/502475308.db2.gz WXRCRCYUQZLWEH-LJQANCHMSA-N 2 0 360.546 3.072 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NCC(C)(C)[NH+]2CCC[C@H](C)C2)C[C@@H]1C ZINC000483753180 502483778 /nfs/dbraw/zinc/48/37/78/502483778.db2.gz YOAQIMOWQNDKTJ-BZSNNMDCSA-N 2 0 352.567 3.011 20 0 FGADRP C[C@@H](CCNC(=O)NCC[N@H+](C)C1CCCC1)[NH+](C)Cc1ccccc1 ZINC000472999189 502495049 /nfs/dbraw/zinc/49/50/49/502495049.db2.gz INBCKQRSQGEHEV-SFHVURJKSA-N 2 0 360.546 3.071 20 0 FGADRP C[C@@H]1CC[N@H+](C)CCN1C(=O)NC[C@@H]1CCCC[NH+](Cc2ccccc2)C1 ZINC000462749069 502556681 /nfs/dbraw/zinc/55/66/81/502556681.db2.gz GWKGLJIZUAQGBK-CTNGQTDRSA-N 2 0 372.557 3.024 20 0 FGADRP C[C@@H]1C[C@@H](NC(=O)NCCC[NH+]2CCC(C)CC2)C[N@@H+]1Cc1ccccc1 ZINC000466421345 502566132 /nfs/dbraw/zinc/56/61/32/502566132.db2.gz DGIDSIDAPKSWMG-TZIWHRDSSA-N 2 0 372.557 3.071 20 0 FGADRP C[C@H](NC(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000487925162 502569505 /nfs/dbraw/zinc/56/95/05/502569505.db2.gz VUXPWAJXQAJZFD-MJUUVYJYSA-N 2 0 372.557 3.069 20 0 FGADRP CCC(C)(C)[NH2+][C@H](C)C(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000476762186 502580583 /nfs/dbraw/zinc/58/05/83/502580583.db2.gz MURFWNCJQFCKCA-HLLBOEOZSA-N 2 0 351.560 3.414 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC000462823674 502588537 /nfs/dbraw/zinc/58/85/37/502588537.db2.gz WGUNHIGXGNYMNO-KAGYGMCKSA-N 2 0 369.553 3.278 20 0 FGADRP CCOCC[NH+]1CCN(c2cc[nH+]c3cc(OCC)c(OCC)cc32)CC1 ZINC000462824202 502588626 /nfs/dbraw/zinc/58/86/26/502588626.db2.gz COHOLVXXJDQCJM-UHFFFAOYSA-N 2 0 373.497 3.191 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H]2C[C@H](C)[NH+](Cc3ccccc3)C2)C[C@@H]1C ZINC000466523812 502596596 /nfs/dbraw/zinc/59/65/96/502596596.db2.gz AYRCELGLBLXDLV-MMKMLUHNSA-N 2 0 372.557 3.164 20 0 FGADRP CC[C@@H](C(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1)[NH+](CC)CC ZINC000473523893 502622131 /nfs/dbraw/zinc/62/21/31/502622131.db2.gz UDHKPNRAZOZRRU-GPANFISMSA-N 2 0 363.468 3.028 20 0 FGADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H](C)c2ccc(-c3ccncc3)cc2)CC1 ZINC000480619151 502622351 /nfs/dbraw/zinc/62/23/51/502622351.db2.gz XFFLGFCHGBQDHP-MOPGFXCFSA-N 2 0 352.526 3.425 20 0 FGADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H](C)c2oc3ccc(OC)cc3c2C)CC1 ZINC000480618703 502622379 /nfs/dbraw/zinc/62/23/79/502622379.db2.gz PIANIYFNMAEBNG-WBVHZDCISA-N 2 0 359.514 3.426 20 0 FGADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H](C)c2oc3ccc(OC)cc3c2C)CC1 ZINC000480618684 502622954 /nfs/dbraw/zinc/62/29/54/502622954.db2.gz PIANIYFNMAEBNG-DOTOQJQBSA-N 2 0 359.514 3.426 20 0 FGADRP CC[NH+]1CCN([C@@H](C)C[NH2+]Cc2ccc(-c3cccc(F)c3F)o2)CC1 ZINC000480632159 502628258 /nfs/dbraw/zinc/62/82/58/502628258.db2.gz BSTXVAIZSCNPKS-HNNXBMFYSA-N 2 0 363.452 3.340 20 0 FGADRP C[C@@H](C(=O)N1CCC[C@@H]([NH+](C)C)CC1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000470014053 502630129 /nfs/dbraw/zinc/63/01/29/502630129.db2.gz UMSPJJQRMQJEED-SIKLNZKXSA-N 2 0 371.569 3.272 20 0 FGADRP OC[C@@H](Cc1ccccc1)[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000480679626 502640606 /nfs/dbraw/zinc/64/06/06/502640606.db2.gz VPYIKTINHZBOTH-JLLPCOHGSA-N 2 0 364.533 3.480 20 0 FGADRP CCC[N@@H+]1CCC[C@H]1CNC(=O)NCc1ccccc1C[NH+](CC)CC ZINC000476984715 502641734 /nfs/dbraw/zinc/64/17/34/502641734.db2.gz QUEARGCAAFNVCF-FQEVSTJZSA-N 2 0 360.546 3.202 20 0 FGADRP C[C@@H]1[C@H](NC(=O)NC2CC[NH+](C(C)(C)C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000484433063 502642325 /nfs/dbraw/zinc/64/23/25/502642325.db2.gz AHQUNCVRDNCIEK-YLJYHZDGSA-N 2 0 372.557 3.212 20 0 FGADRP CCOc1cc2[nH+]ccc(N[C@H]3CC[N@@H+]4CCC[C@@H]4C3)c2cc1OCC ZINC000488173138 502646699 /nfs/dbraw/zinc/64/66/99/502646699.db2.gz BTNLNPRLRZNCLH-JKSUJKDBSA-N 2 0 355.482 3.493 20 0 FGADRP CC(C)O[C@H]1C[C@H]([NH2+]Cc2ccc(CN3CC[NH+](C)CC3)cc2)C1(C)C ZINC000463035505 502669119 /nfs/dbraw/zinc/66/91/19/502669119.db2.gz QRUKPEUTWWXQNY-SFTDATJTSA-N 2 0 359.558 3.116 20 0 FGADRP CCC[N@H+](CC)C[C@H](C)NC(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000463065655 502681209 /nfs/dbraw/zinc/68/12/09/502681209.db2.gz ZPHGNEBLGXMMNY-PMACEKPBSA-N 2 0 366.594 3.260 20 0 FGADRP CC[N@@H+]1CC[C@H]([NH2+]CC2(N3CCOC(C)(C)C3)CCCCC2)[C@H](C)C1 ZINC000470161754 502687479 /nfs/dbraw/zinc/68/74/79/502687479.db2.gz XEHQAZGQSRUWJN-MOPGFXCFSA-N 2 0 351.579 3.120 20 0 FGADRP CCCN(CC[NH+]1CCCC1)C(=O)N[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000484646316 502694668 /nfs/dbraw/zinc/69/46/68/502694668.db2.gz UNXBXRNIEMERII-PZJWPPBQSA-N 2 0 372.557 3.339 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cccc(Cn3cccn3)c2)[C@@H](C)C1 ZINC000480880877 502696719 /nfs/dbraw/zinc/69/67/19/502696719.db2.gz JOESEIVLOYILPE-UGKGYDQZSA-N 2 0 370.541 3.158 20 0 FGADRP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(OCCO)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000463115222 502699604 /nfs/dbraw/zinc/69/96/04/502699604.db2.gz XEINZEXEAUJLCV-NQIIRXRSSA-N 2 0 354.494 3.200 20 0 FGADRP C[C@@H](NC(=O)[C@H](C)[NH+]1CCC(C[NH+](C)C)CC1)c1ccc2c(c1)CCCC2 ZINC000480971048 502716746 /nfs/dbraw/zinc/71/67/46/502716746.db2.gz ZVQABXMMNXYFCB-MSOLQXFVSA-N 2 0 371.569 3.405 20 0 FGADRP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N(C)[C@H]1CC[NH+](C2CC2)C1 ZINC000470276381 502721834 /nfs/dbraw/zinc/72/18/34/502721834.db2.gz GCKSRGFVMPHTTP-SFTDATJTSA-N 2 0 372.557 3.021 20 0 FGADRP CC[N@H+](C)Cc1cccc(CNC(=O)N2CC[NH+](C3CCC3)C[C@H](C)C2)c1 ZINC000488498440 502732911 /nfs/dbraw/zinc/73/29/11/502732911.db2.gz HAURIDJMSXZNSM-SFHVURJKSA-N 2 0 372.557 3.154 20 0 FGADRP CC[NH+](CC)CCCNC(=O)N[C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000473873879 502733985 /nfs/dbraw/zinc/73/39/85/502733985.db2.gz HMZSKHWGRIZWFP-KXTWHKPSSA-N 2 0 374.573 3.174 20 0 FGADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)C1 ZINC000477339585 502747688 /nfs/dbraw/zinc/74/76/88/502747688.db2.gz QTEMXKPTDDXOCM-RTBURBONSA-N 2 0 364.578 3.157 20 0 FGADRP Cc1ccc(C[C@@H]([NH2+]Cc2cccnc2N2CC[NH+](C)CC2)C(C)C)cc1 ZINC000481213993 502785674 /nfs/dbraw/zinc/78/56/74/502785674.db2.gz ZIRSVAMRFLOLEB-JOCHJYFZSA-N 2 0 366.553 3.499 20 0 FGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H]2CC(C)(C)c3cc(OC)ccc32)CC1 ZINC000474068588 502796764 /nfs/dbraw/zinc/79/67/64/502796764.db2.gz VIXPTELENBGSFO-UTKZUKDTSA-N 2 0 359.558 3.281 20 0 FGADRP CC(C)[NH+](CCCNC(=O)NC[C@@H](C1CCCCC1)[NH+](C)C)C(C)C ZINC000470504531 502798395 /nfs/dbraw/zinc/79/83/95/502798395.db2.gz XEQAEACMMXOSLK-IBGZPJMESA-N 2 0 354.583 3.305 20 0 FGADRP CCN1CCN(C(=O)c2cccc(C[N@H+](C)Cc3ccccc3)c2)CC1 ZINC000485040245 502808022 /nfs/dbraw/zinc/80/80/22/502808022.db2.gz ATEKNRGEGQQTJM-UHFFFAOYSA-N 2 0 351.494 3.096 20 0 FGADRP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NCCC[NH+]1CCCC1 ZINC000509131525 502829230 /nfs/dbraw/zinc/82/92/30/502829230.db2.gz IWMQGQCUZHGPMX-FQEVSTJZSA-N 2 0 372.557 3.072 20 0 FGADRP O=C([C@@H]1CCCC[N@@H+]1Cc1ccccc1)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000495669951 502857424 /nfs/dbraw/zinc/85/74/24/502857424.db2.gz QBNIAXJNDDKVKS-SFTDATJTSA-N 2 0 355.526 3.032 20 0 FGADRP CCC[N@@H+]1CC[C@@H](CNC(=O)NC[C@@]2(C)CCC[NH+]2Cc2ccccc2)C1 ZINC000489091565 502877890 /nfs/dbraw/zinc/87/78/90/502877890.db2.gz ZPCAXOVNNBHSCV-RBBKRZOGSA-N 2 0 372.557 3.072 20 0 FGADRP CC[N@H+](CCNC(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1)C(C)C ZINC000489154252 502889869 /nfs/dbraw/zinc/88/98/69/502889869.db2.gz YDYGWQZYGVRPMD-UHFFFAOYSA-N 2 0 360.546 3.023 20 0 FGADRP CN(C(=O)C[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1)C1CCCCC1 ZINC000501038835 502918940 /nfs/dbraw/zinc/91/89/40/502918940.db2.gz KOZHUARZXGWKHR-UHFFFAOYSA-N 2 0 358.530 3.021 20 0 FGADRP COc1cccc([C@@H]2C[C@H](C)C[N@@H+]2CCCN2CC[NH+](C(C)C)CC2)c1 ZINC000501063147 502925371 /nfs/dbraw/zinc/92/53/71/502925371.db2.gz GFZZFNHEBJMCOR-UGKGYDQZSA-N 2 0 359.558 3.494 20 0 FGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000489351888 502935416 /nfs/dbraw/zinc/93/54/16/502935416.db2.gz AZJYOGAQJUQNSG-HXUWFJFHSA-N 2 0 359.514 3.364 20 0 FGADRP CC(C)[C@H](CNC(=O)NCCC[NH2+]C1CCCCC1)[NH+]1CCC(C)CC1 ZINC000501143391 502947716 /nfs/dbraw/zinc/94/77/16/502947716.db2.gz RLDFFOWCVDTSBC-FQEVSTJZSA-N 2 0 366.594 3.355 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccsc1 ZINC000501149875 502949662 /nfs/dbraw/zinc/94/96/62/502949662.db2.gz IFJZANOMJFIRAI-RCCFBDPRSA-N 2 0 364.559 3.057 20 0 FGADRP CC[N@H+](CCNC(=O)NCC[C@@H]1C[C@@H](C)[NH+](Cc2ccccc2)C1)C(C)C ZINC000509710549 502973218 /nfs/dbraw/zinc/97/32/18/502973218.db2.gz FINFHZIXKMGYJR-TZIWHRDSSA-N 2 0 374.573 3.317 20 0 FGADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC000489565474 502987404 /nfs/dbraw/zinc/98/74/04/502987404.db2.gz ZRXOCRZGNQCBPN-FGTMMUONSA-N 2 0 352.567 3.059 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CCc1ccc(Cl)s1 ZINC000505802212 502989158 /nfs/dbraw/zinc/98/91/58/502989158.db2.gz NXZGUTGGUPTDTC-OAHLLOKOSA-N 2 0 371.978 3.209 20 0 FGADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000497566396 502989927 /nfs/dbraw/zinc/98/99/27/502989927.db2.gz RRKZEYNWRDWOJQ-FQEVSTJZSA-N 2 0 364.578 3.205 20 0 FGADRP C[NH+]1CCN(c2ncccc2C[NH2+][C@H]2CCC[C@@H](c3cccnc3)C2)CC1 ZINC000501378243 502996920 /nfs/dbraw/zinc/99/69/20/502996920.db2.gz PDWPNWDBOBROJG-NQIIRXRSSA-N 2 0 365.525 3.044 20 0 FGADRP CC(C)Cc1ccc([C@H](CNC(=O)N[C@H]2CC[N@@H+](C3CC3)C2)[NH+](C)C)cc1 ZINC000497608297 502998925 /nfs/dbraw/zinc/99/89/25/502998925.db2.gz DCMXNMGWGNUQAX-FPOVZHCZSA-N 2 0 372.557 3.024 20 0 FGADRP C[N@@H+]1CCCC[C@@H]1CN1CCN(Cc2ccc3c(c2)CC(C)(C)O3)CC1 ZINC000513696702 503002696 /nfs/dbraw/zinc/00/26/96/503002696.db2.gz CIBVZYDZFOFBSJ-HXUWFJFHSA-N 2 0 357.542 3.002 20 0 FGADRP C[N@@H+](Cc1ccccc1)CC1CC[NH+](CC(=O)NCCC(C)(C)C)CC1 ZINC000489658487 503005900 /nfs/dbraw/zinc/00/59/00/503005900.db2.gz JTKRIRCFXIFFQP-UHFFFAOYSA-N 2 0 359.558 3.383 20 0 FGADRP C/C(=C\c1ccccc1C(F)(F)F)C[NH2+]C[C@H](C)N1CC[NH+](C)CC1 ZINC000501473826 503015777 /nfs/dbraw/zinc/01/57/77/503015777.db2.gz CMJZTPGUXUIVMK-STTHAQSSSA-N 2 0 355.448 3.334 20 0 FGADRP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)N2CCC[N@H+](CC3CCCCC3)CC2)C1 ZINC000489793515 503036236 /nfs/dbraw/zinc/03/62/36/503036236.db2.gz CUNBAJZQDVGERC-VQTJNVASSA-N 2 0 364.578 3.157 20 0 FGADRP C[NH+](C)[C@@H](CNC(=O)NCCC[N@H+](C)C1CCCCC1)c1cccs1 ZINC000501575438 503042422 /nfs/dbraw/zinc/04/24/22/503042422.db2.gz OCGONHMORCQNRY-KRWDZBQOSA-N 2 0 366.575 3.305 20 0 FGADRP CC(C)[C@@H](C(=O)N(C)CC1CCN(c2cc[nH+]cc2)CC1)[NH+]1CCCCC1 ZINC000501615327 503049886 /nfs/dbraw/zinc/04/98/86/503049886.db2.gz LVNYLFBNVBOVED-NRFANRHFSA-N 2 0 372.557 3.267 20 0 FGADRP C[N@H+](CCNC(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1)C1CCCCC1 ZINC000513932033 503051413 /nfs/dbraw/zinc/05/14/13/503051413.db2.gz QVWANVPAMPZXFE-OAQYLSRUSA-N 2 0 372.557 3.387 20 0 FGADRP OCC[NH+]1CCC(C[NH2+][C@@H](c2cc3ccccc3o2)c2cccnc2)CC1 ZINC000497854687 503054821 /nfs/dbraw/zinc/05/48/21/503054821.db2.gz XEMJPNFLWQLWRY-JOCHJYFZSA-N 2 0 365.477 3.211 20 0 FGADRP C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)N2CCC([NH+]3CCCCC3)CC2)C1 ZINC000501760823 503074014 /nfs/dbraw/zinc/07/40/14/503074014.db2.gz YQKQTRWMJPCKSJ-OALUTQOASA-N 2 0 364.578 3.014 20 0 FGADRP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)N2CCC([NH+]3CCCCC3)CC2)C1 ZINC000501760824 503074244 /nfs/dbraw/zinc/07/42/44/503074244.db2.gz YQKQTRWMJPCKSJ-RTBURBONSA-N 2 0 364.578 3.014 20 0 FGADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)NCC(C)(C)[NH+]2CCCCC2)C1 ZINC000514197523 503110762 /nfs/dbraw/zinc/11/07/62/503110762.db2.gz ORFSNDJFSIKGQF-UYAOXDASSA-N 2 0 372.557 3.386 20 0 FGADRP C[C@H](CNC(=O)N[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1)[NH+]1CCCC[C@H]1C ZINC000514244797 503124112 /nfs/dbraw/zinc/12/41/12/503124112.db2.gz NFSGQVGFMDEFQL-XCJLJZCSSA-N 2 0 372.557 3.384 20 0 FGADRP CN(c1ccccc1CN1CCC[C@@H]([NH+]2CCCC2)C1)C1CC[NH+](C)CC1 ZINC000510486686 503124600 /nfs/dbraw/zinc/12/46/00/503124600.db2.gz BKOCPRWPUFJDGK-JOCHJYFZSA-N 2 0 370.585 3.277 20 0 FGADRP CCC[NH+]1CCC([N@H+](C)CCCC(=O)Nc2ccccc2C(C)=O)CC1 ZINC000514738232 503181300 /nfs/dbraw/zinc/18/13/00/503181300.db2.gz WMWRZNZOKBVVST-UHFFFAOYSA-N 2 0 359.514 3.414 20 0 FGADRP C[C@H]1C[C@H](C)C[NH+](CCCC[NH2+]Cc2cnnn2Cc2ccccc2)C1 ZINC000490553494 503194266 /nfs/dbraw/zinc/19/42/66/503194266.db2.gz BHUZMLAHBDAYFQ-OALUTQOASA-N 2 0 355.530 3.174 20 0 FGADRP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCCC23CC[NH+](C)CC3)C1 ZINC000511019776 503236555 /nfs/dbraw/zinc/23/65/55/503236555.db2.gz WBPXJCNVRBWDDQ-SFHVURJKSA-N 2 0 364.578 3.157 20 0 FGADRP Cc1cc(C[NH2+]CCCN2CCN(c3ccccc3)CC2)cc(C)c1O ZINC000507402445 503294168 /nfs/dbraw/zinc/29/41/68/503294168.db2.gz MQGXZAAIUHRQCL-UHFFFAOYSA-N 2 0 353.510 3.311 20 0 FGADRP C[C@H]1CCC[N@H+](CCCCNC(=O)NCC2([NH+](C)C)CCCCCC2)C1 ZINC000502896557 503302439 /nfs/dbraw/zinc/30/24/39/503302439.db2.gz VNHLLXWFKZCXOJ-IBGZPJMESA-N 2 0 366.594 3.452 20 0 FGADRP CC[N@@H+]1C[C@@H](C)N(C(=O)NC2CCC([NH+]3CCC(C)CC3)CC2)C[C@H]1C ZINC000499028496 503317195 /nfs/dbraw/zinc/31/71/95/503317195.db2.gz OBLDBZCUKBYLAN-UVHRUJRTSA-N 2 0 364.578 3.154 20 0 FGADRP CC[NH+]1CCN(c2ccc(C[NH2+]C[C@H]3C[C@H]3c3ccccc3)cn2)CC1 ZINC000502999664 503321200 /nfs/dbraw/zinc/32/12/00/503321200.db2.gz WNMCAGWCEJNGPB-RTWAWAEBSA-N 2 0 350.510 3.117 20 0 FGADRP COCc1ccccc1/C=C(/C)C[NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000511603631 503353132 /nfs/dbraw/zinc/35/31/32/503353132.db2.gz BPXSYMQLMLPYBT-BCSVNHGESA-N 2 0 358.526 3.204 20 0 FGADRP CC[C@H]1C[C@H](C[N@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)CCO1 ZINC000507814998 503372226 /nfs/dbraw/zinc/37/22/26/503372226.db2.gz NQNFTAJGMQUNLC-IRLDBZIGSA-N 2 0 365.606 3.320 20 0 FGADRP COc1ccc(CN[C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)c(OC)n1 ZINC000515648274 503379655 /nfs/dbraw/zinc/37/96/55/503379655.db2.gz OABGXIYKOWTEDN-IBGZPJMESA-N 2 0 367.493 3.386 20 0 FGADRP CC(=O)N1CC[C@H]([NH2+]C2CC[NH+](C3CCCC3)CC2)c2ccccc2C1 ZINC000493145033 503409650 /nfs/dbraw/zinc/40/96/50/503409650.db2.gz FOKQVKBWKYSAAK-QFIPXVFZSA-N 2 0 355.526 3.477 20 0 FGADRP CC1CC[NH+]([C@@H](CNC(=O)[C@H]2CCC[N@@H+]2C2CC2)c2cccs2)CC1 ZINC000493676758 503439051 /nfs/dbraw/zinc/43/90/51/503439051.db2.gz IZIXYUZHTPXUCP-MSOLQXFVSA-N 2 0 361.555 3.264 20 0 FGADRP CC(C)c1cc(N(C)CC2CCN(c3cc[nH+]cc3)CC2)nc(N(C)C)[nH+]1 ZINC000499655929 503451144 /nfs/dbraw/zinc/45/11/44/503451144.db2.gz IQMUGDOYKXZJBR-UHFFFAOYSA-N 2 0 368.529 3.414 20 0 FGADRP CC(C)[N@@H+]1CCCN(C(=O)NCC(C)(C)[NH2+][C@@H](C)c2ccccc2)CC1 ZINC000503686490 503459289 /nfs/dbraw/zinc/45/92/89/503459289.db2.gz AVXGGCVFUCYQAK-SFHVURJKSA-N 2 0 360.546 3.242 20 0 FGADRP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H](C)[C@H](OC)c3ccccc3)cn2)CC1 ZINC000493938444 503462169 /nfs/dbraw/zinc/46/21/69/503462169.db2.gz YSCSAZKLDXVWTH-AVRDEDQJSA-N 2 0 368.525 3.089 20 0 FGADRP CC(C)[C@H](CNC(=O)N[C@H](C)[C@@H](c1ccccc1)[NH+](C)C)[NH+]1CCCC1 ZINC000493939658 503462304 /nfs/dbraw/zinc/46/23/04/503462304.db2.gz FSVUYJAQDRWQBR-HOJAQTOUSA-N 2 0 360.546 3.097 20 0 FGADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1)c1ccccc1 ZINC000503731051 503466340 /nfs/dbraw/zinc/46/63/40/503466340.db2.gz UAMLFGNCXKWVIO-MJGOQNOKSA-N 2 0 372.557 3.432 20 0 FGADRP C[C@H]([NH2+]C(C)(C)CNC(=O)N1CCC(C[NH+](C)C)CC1)c1ccccc1 ZINC000503739810 503467884 /nfs/dbraw/zinc/46/78/84/503467884.db2.gz TXZYBVXRFRHHLI-KRWDZBQOSA-N 2 0 360.546 3.099 20 0 FGADRP C[C@@H]1CC[C@H](c2ccccc2)[N@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000512182628 503479152 /nfs/dbraw/zinc/47/91/52/503479152.db2.gz FLJJRJJQOIAFOQ-DYESRHJHSA-N 2 0 355.526 3.203 20 0 FGADRP CCC[NH+]1CCC(CNC(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2)CC1 ZINC000608011728 506374621 /nfs/dbraw/zinc/37/46/21/506374621.db2.gz AUSUQFKBSQJLDM-OAQYLSRUSA-N 2 0 357.542 3.279 20 0 FGADRP COc1ccc([C@H](CNC(=O)[C@H](C)[NH+]2[C@H](C)CC[C@H]2C)[NH+]2CCCC2)cc1 ZINC000508375586 503484902 /nfs/dbraw/zinc/48/49/02/503484902.db2.gz GESADYADKYQMTJ-WIRSXHRWSA-N 2 0 373.541 3.210 20 0 FGADRP CC(C)[NH+](CCN(C)C(=O)NCCCC[N@@H+]1CCCC[C@H]1C)C(C)C ZINC000503981322 503503632 /nfs/dbraw/zinc/50/36/32/503503632.db2.gz IMXMHOKIDLLYKL-LJQANCHMSA-N 2 0 354.583 3.401 20 0 FGADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCc1c[nH]c2cccc(Br)c12 ZINC000516441922 503512817 /nfs/dbraw/zinc/51/28/17/503512817.db2.gz HGTAHUJECYYYJL-DOMZBBRYSA-N 2 0 350.304 3.403 20 0 FGADRP C[C@H](CNC(=O)N[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1)C[NH+]1CCCCC1 ZINC000516582080 503542470 /nfs/dbraw/zinc/54/24/70/503542470.db2.gz QRWFNDIBVGGVRM-SBHAEUEKSA-N 2 0 372.557 3.243 20 0 FGADRP CC(C)N(CC[NH+](C)C)C(=O)NCC[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000512416603 503543863 /nfs/dbraw/zinc/54/38/63/503543863.db2.gz ANHZPRKFLAZTNC-PZJWPPBQSA-N 2 0 374.573 3.269 20 0 FGADRP CC(C)C[C@H](C[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)N1CCOCC1 ZINC000508702259 503546725 /nfs/dbraw/zinc/54/67/25/503546725.db2.gz VZWYJLQFLBFPFO-MDNUFGMLSA-N 2 0 373.585 3.234 20 0 FGADRP CC[NH+](CC)Cc1cccc(CNC(=O)N2CC[NH+](CC(C)C)CC2)c1 ZINC000500088917 503550394 /nfs/dbraw/zinc/55/03/94/503550394.db2.gz LOUVGQJGKYNNSZ-UHFFFAOYSA-N 2 0 360.546 3.012 20 0 FGADRP CCCCc1ccc(CC(=O)Nc2c[nH+]ccc2N2CCN(C)CC2)cc1 ZINC000516625022 503553897 /nfs/dbraw/zinc/55/38/97/503553897.db2.gz NIYAALRNCCRCNS-UHFFFAOYSA-N 2 0 366.509 3.357 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@H](C)[C@H](c2ccccc2)[NH+](C)C)C[C@@H]1C ZINC000508849433 503577022 /nfs/dbraw/zinc/57/70/22/503577022.db2.gz BTTUVBLZRJOGQG-KVPLUYHFSA-N 2 0 360.546 3.192 20 0 FGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC[C@H]1C[C@H](C)[NH+](Cc2ccccc2)C1 ZINC000512578763 503589074 /nfs/dbraw/zinc/58/90/74/503589074.db2.gz RYUAGXGJRYBKOP-SESVDKBCSA-N 2 0 357.542 3.278 20 0 FGADRP CC(C)[NH+](CCN(C)C(=O)N[C@H](C)[C@H](c1ccccc1)[NH+](C)C)C(C)C ZINC000508894025 503592057 /nfs/dbraw/zinc/59/20/57/503592057.db2.gz JYNITIOQJZIKCQ-UYAOXDASSA-N 2 0 362.562 3.438 20 0 FGADRP CCN(CCC[NH+]1CCCC1)C(=O)N[C@@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC000508905449 503596076 /nfs/dbraw/zinc/59/60/76/503596076.db2.gz KXSAPUOXNAFUGD-AZUAARDMSA-N 2 0 360.546 3.195 20 0 FGADRP c1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH2+]CCNc4ccccn4)[C@@H]3C2)cc1 ZINC000512627103 503598379 /nfs/dbraw/zinc/59/83/79/503598379.db2.gz ZYZGYGBMCSTVBA-HBMCJLEFSA-N 2 0 350.510 3.384 20 0 FGADRP c1[nH]nc2c1CC[C@@H]([NH2+][C@H]1CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]31)C2 ZINC000512640992 503601760 /nfs/dbraw/zinc/60/17/60/503601760.db2.gz CEDDINIBMKUAIA-BQJUDKOJSA-N 2 0 350.510 3.157 20 0 FGADRP COc1ccc(C[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)cn1 ZINC000512646818 503602542 /nfs/dbraw/zinc/60/25/42/503602542.db2.gz DIYVRGYLVQLGEB-QHAWAJNXSA-N 2 0 351.494 3.481 20 0 FGADRP Fc1cccnc1OCC[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000512667858 503608192 /nfs/dbraw/zinc/60/81/92/503608192.db2.gz RJCMBVPKVKZKLG-SVFBPWRDSA-N 2 0 369.484 3.490 20 0 FGADRP C[C@H](NC(=O)C[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)c1ccc2c(c1)CCCC2 ZINC000516927836 503621752 /nfs/dbraw/zinc/62/17/52/503621752.db2.gz HSNJMWSQDPSYMJ-WTOYTKOKSA-N 2 0 369.553 3.064 20 0 FGADRP CC(C)C[C@@H](C[NH+](C)C)NC(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000504865404 503628731 /nfs/dbraw/zinc/62/87/31/503628731.db2.gz XAOMKKPSTVERRT-ZWKOTPCHSA-N 2 0 364.534 3.082 20 0 FGADRP CSc1ccc(OC[C@H](O)C[NH2+]C[C@H]2CCC[N@H+](CC(C)C)C2)cc1 ZINC000517025446 503646498 /nfs/dbraw/zinc/64/64/98/503646498.db2.gz SNTUURXGESPZRD-QZTJIDSGSA-N 2 0 366.571 3.106 20 0 FGADRP [NH3+]C[C@@H]1c2ccccc2CCN1C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000517029042 503647331 /nfs/dbraw/zinc/64/73/31/503647331.db2.gz WJWLAVOCDSEUBW-OAQYLSRUSA-N 2 0 370.541 3.051 20 0 FGADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC000495122871 503675649 /nfs/dbraw/zinc/67/56/49/503675649.db2.gz TVWFJJOFKDFMLT-UYAOXDASSA-N 2 0 357.542 3.450 20 0 FGADRP CC[NH+](CC)CCC[NH2+][C@@H]1CCCC[C@H](N2C(=O)c3ccccc3C2=O)C1 ZINC000533090558 503728137 /nfs/dbraw/zinc/72/81/37/503728137.db2.gz HOTFEUHVHHOGRF-MSOLQXFVSA-N 2 0 371.525 3.305 20 0 FGADRP CC(C)[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)c1ccc2[nH]c(=O)oc2c1 ZINC000540300944 503732087 /nfs/dbraw/zinc/73/20/87/503732087.db2.gz FIWWBDMTYBKZON-QFBILLFUSA-N 2 0 361.486 3.057 20 0 FGADRP C[C@@H]([NH2+]CCc1c[nH]c2ncccc12)c1ccc(OCC[NH+](C)C)cc1 ZINC000536832025 503735280 /nfs/dbraw/zinc/73/52/80/503735280.db2.gz IJKOIGOLYARHEV-MRXNPFEDSA-N 2 0 352.482 3.397 20 0 FGADRP C[C@@H]1C[N@@H+](CC2CC[NH+](Cc3cc(-n4ccnc4)cs3)CC2)C[C@H](C)O1 ZINC000543394337 503751406 /nfs/dbraw/zinc/75/14/06/503751406.db2.gz IRXQUERYJMJXMB-CALCHBBNSA-N 2 0 374.554 3.255 20 0 FGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H](c2ccc(F)cc2)c2cccnc2)CC1 ZINC000543403219 503756648 /nfs/dbraw/zinc/75/66/48/503756648.db2.gz QVIQQZSVSZSQIP-XMSQKQJNSA-N 2 0 370.516 3.173 20 0 FGADRP CC1(C(=O)NC[C@@H]2CC[N@@H+]2C2CCCC2)CC[NH+](Cc2ccccc2)CC1 ZINC000530026344 503800700 /nfs/dbraw/zinc/80/07/00/503800700.db2.gz IMVASQGUMOQHQC-NRFANRHFSA-N 2 0 369.553 3.422 20 0 FGADRP CC(C)[N@@H+](Cc1ccc(NC(=O)[C@@H]2CC[NH+](C)C2)cc1)C[C@H]1CCCCO1 ZINC000537118641 503808089 /nfs/dbraw/zinc/80/80/89/503808089.db2.gz WNEFAFNNWRLOPJ-TZIWHRDSSA-N 2 0 373.541 3.356 20 0 FGADRP NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+][C@H](c2ccccc2)C2CCCCC2)C1 ZINC000537194837 503835837 /nfs/dbraw/zinc/83/58/37/503835837.db2.gz LBBTZHRRCPBFMO-NHCUHLMSSA-N 2 0 357.542 3.485 20 0 FGADRP COc1cccc([C@@H](CNC(=O)CC[N@H+](C)C2CCCCC2)[NH+](C)C)c1 ZINC000546723007 503852536 /nfs/dbraw/zinc/85/25/36/503852536.db2.gz HMZIJBUYMHIODF-HXUWFJFHSA-N 2 0 361.530 3.069 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)NC[C@H](C(C)C)[NH+]1CCCC1)c1ccco1 ZINC000517892940 503860406 /nfs/dbraw/zinc/86/04/06/503860406.db2.gz WPDOIPFKWWPIIH-QZTJIDSGSA-N 2 0 364.534 3.082 20 0 FGADRP C[C@H]1C[C@@H](NC(=O)CCN(C)c2cc[nH+]cc2)CC[N@@H+]1Cc1ccccc1 ZINC000543713760 503863280 /nfs/dbraw/zinc/86/32/80/503863280.db2.gz UTBKTEZWQLGFAU-ICSRJNTNSA-N 2 0 366.509 3.077 20 0 FGADRP [NH3+]C[C@H](Cc1ccccc1)[C@@H]1CCCC[N@@H+]1Cc1cc(CO)ccc1F ZINC000530217872 503881201 /nfs/dbraw/zinc/88/12/01/503881201.db2.gz IOTHOGUHAKHVOE-UGKGYDQZSA-N 2 0 356.485 3.490 20 0 FGADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2CCCOc1ccc(Cl)cc1 ZINC000533539583 503881805 /nfs/dbraw/zinc/88/18/05/503881805.db2.gz INLQUBAOVUUBLJ-BHIYHBOVSA-N 2 0 352.906 3.292 20 0 FGADRP CC(C)[C@H]([NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1cc2ccccc2o1 ZINC000537345395 503884589 /nfs/dbraw/zinc/88/45/89/503884589.db2.gz ZGOQDZUJNKUXDR-PXNSSMCTSA-N 2 0 357.498 3.307 20 0 FGADRP c1csc(-c2ncc(C[NH+]3CCC(CO[C@H]4CC[NH2+]C4)CC3)s2)c1 ZINC000530248104 503894472 /nfs/dbraw/zinc/89/44/72/503894472.db2.gz FZLABLDGOBRISD-HNNXBMFYSA-N 2 0 363.552 3.462 20 0 FGADRP CCCCOc1ccc(CN2CC[C@H]([NH+]3CCN(C)CC3)[C@H](C)C2)cc1 ZINC000537620236 503979030 /nfs/dbraw/zinc/97/90/30/503979030.db2.gz SNQDTLVGQVMWCX-KNQAVFIVSA-N 2 0 359.558 3.323 20 0 FGADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2cc3ccccc3nc2OC)C1 ZINC000537649139 503991918 /nfs/dbraw/zinc/99/19/18/503991918.db2.gz GKZRKZRYDHVNDV-IBGZPJMESA-N 2 0 357.498 3.176 20 0 FGADRP C[NH+](C)[C@@H](CNC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1)C1CCCCC1 ZINC000518628580 504031811 /nfs/dbraw/zinc/03/18/11/504031811.db2.gz DAWAWOVPRFQWQW-UXHICEINSA-N 2 0 364.578 3.157 20 0 FGADRP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)Cn2c(C)nc3ccccc32)C1 ZINC000530639461 504034964 /nfs/dbraw/zinc/03/49/64/504034964.db2.gz VHFJVPQWEKZBDS-KRWDZBQOSA-N 2 0 356.514 3.362 20 0 FGADRP CCC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)NC[C@H]1CC[NH+](C2CC2)C1 ZINC000528112366 504077048 /nfs/dbraw/zinc/07/70/48/504077048.db2.gz FZEHVGFUILKWKU-KCZVDYSFSA-N 2 0 369.553 3.135 20 0 FGADRP C[C@H](CCNC(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1)[NH+]1CCCCC1 ZINC000544297792 504077444 /nfs/dbraw/zinc/07/74/44/504077444.db2.gz CQMQLAFQDRWQBH-CTNGQTDRSA-N 2 0 372.557 3.387 20 0 FGADRP CC(C)[N@@H+]1CC[C@H](CNC(=O)N2CC[C@H](C)[NH+](Cc3ccccc3)CC2)C1 ZINC000530769843 504082584 /nfs/dbraw/zinc/08/25/84/504082584.db2.gz WGGWNXCFNZNIAT-PZJWPPBQSA-N 2 0 372.557 3.023 20 0 FGADRP COc1ccc2c(c1)OC[C@H]([NH2+][C@@H]1CCN(Cc3ccccc3)C[C@H]1C)C2 ZINC000537960325 504095378 /nfs/dbraw/zinc/09/53/78/504095378.db2.gz QWIJYEZKRIBPPL-NQSCKRDGSA-N 2 0 366.505 3.499 20 0 FGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCOc2cccc(Cl)c2)[C@H](C)C1 ZINC000537991759 504104289 /nfs/dbraw/zinc/10/42/89/504104289.db2.gz SUDZQKHCVFZFJR-VQIMIIECSA-N 2 0 354.922 3.445 20 0 FGADRP CC(C)[NH2+]C1CCN(C(=O)NC[C@@H](c2ccc(Cl)cc2)[NH+](C)C)CC1 ZINC000530841478 504104469 /nfs/dbraw/zinc/10/44/69/504104469.db2.gz UOZCFTWFROMJOU-SFHVURJKSA-N 2 0 366.937 3.115 20 0 FGADRP CC(C)[NH2+]C1CCN(C(=O)NC[C@H](c2ccc(Cl)cc2)[NH+](C)C)CC1 ZINC000530841477 504104882 /nfs/dbraw/zinc/10/48/82/504104882.db2.gz UOZCFTWFROMJOU-GOSISDBHSA-N 2 0 366.937 3.115 20 0 FGADRP C[C@@H](C[NH2+][C@@H](CN1CC[NH+](C)CC1)c1ccccc1)Cc1ccccc1 ZINC000547516381 504133585 /nfs/dbraw/zinc/13/35/85/504133585.db2.gz FKNGADWETVPFQO-OFNKIYASSA-N 2 0 351.538 3.444 20 0 FGADRP C[C@H]1C[N@H+](CCOc2ccc(CC[NH2+][C@H]3CCO[C@H](C)C3)cc2)C[C@H]1C ZINC000538196792 504158415 /nfs/dbraw/zinc/15/84/15/504158415.db2.gz ALLGUYLADBIEJQ-HDAAZOAOSA-N 2 0 360.542 3.353 20 0 FGADRP CCC[C@H](C)NC(=O)[C@H]1CCC[N@H+](Cc2cn(-c3cc[nH+]cc3)nc2C)C1 ZINC000541534447 504168167 /nfs/dbraw/zinc/16/81/67/504168167.db2.gz QBKQGHIORJOKGR-WMZOPIPTSA-N 2 0 369.513 3.093 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cccc(C(F)F)c1F ZINC000528335178 504175367 /nfs/dbraw/zinc/17/53/67/504175367.db2.gz NALRJKJFAHYUSP-CQSZACIVSA-N 2 0 371.447 3.251 20 0 FGADRP CN1CC[NH+](CC2(C)CC[NH+](C/C=C/c3ccc(F)cc3F)CC2)CC1 ZINC000544596643 504186087 /nfs/dbraw/zinc/18/60/87/504186087.db2.gz WAOHNYURDOGFRG-ONEGZZNKSA-N 2 0 363.496 3.328 20 0 FGADRP CC(C)[C@@H](CNC(=O)N(C)[C@H](C)C1CC[NH+](C)CC1)[NH+]1CCC(C)CC1 ZINC000544622171 504194938 /nfs/dbraw/zinc/19/49/38/504194938.db2.gz RVZAEAHCJFHYIJ-UYAOXDASSA-N 2 0 366.594 3.115 20 0 FGADRP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+][C@H]2CCOC3(CCOCC3)C2)CC1 ZINC000519443229 504221581 /nfs/dbraw/zinc/22/15/81/504221581.db2.gz IAZFRTLVBWJQET-YZGWKJHDSA-N 2 0 350.547 3.347 20 0 FGADRP CC[NH+](CC)Cc1ccc(CNC(=O)NCC2(C[NH+](C)C)CCCC2)cc1 ZINC000544705511 504227289 /nfs/dbraw/zinc/22/72/89/504227289.db2.gz YTRXWVVNFBBZCU-UHFFFAOYSA-N 2 0 374.573 3.450 20 0 FGADRP C[C@@H]([NH2+]CC1=CC[N@H+](C)CC1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000538406627 504237715 /nfs/dbraw/zinc/23/77/15/504237715.db2.gz MVKSZXRODCAMEC-MRXNPFEDSA-N 2 0 362.539 3.315 20 0 FGADRP CC[NH+](CC)C[C@H](C)NC(=O)N1CCC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000531246351 504241668 /nfs/dbraw/zinc/24/16/68/504241668.db2.gz QBXPCVGZZPYFAB-OALUTQOASA-N 2 0 360.546 3.023 20 0 FGADRP C[C@H]1CCN(C(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)C[C@@H]1C[NH3+] ZINC000519529664 504242613 /nfs/dbraw/zinc/24/26/13/504242613.db2.gz IKNDVKUTRWMLOL-RXVVDRJESA-N 2 0 372.557 3.189 20 0 FGADRP CC[N@H+](C)C[C@H](O)CN[C@@H](Cc1ccccc1)c1nc2ccccc2s1 ZINC000519539643 504245813 /nfs/dbraw/zinc/24/58/13/504245813.db2.gz CHXRJOLDUYRIHY-MJGOQNOKSA-N 2 0 369.534 3.482 20 0 FGADRP C/C(=C/c1ccccc1)C[NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000531430258 504303993 /nfs/dbraw/zinc/30/39/93/504303993.db2.gz OKYNLKAYOOJCSZ-JXAWBTAJSA-N 2 0 357.542 3.306 20 0 FGADRP CC[C@]1(C(=O)NC[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)CCC[NH2+]1 ZINC000519824395 504354777 /nfs/dbraw/zinc/35/47/77/504354777.db2.gz HMODKPIYKSBHSX-POZUXBRTSA-N 2 0 367.896 3.120 20 0 FGADRP CC[N@@H+]1CC[C@@H](CNC(=O)Nc2cccc(CC[NH+]3CCC(C)CC3)c2)C1 ZINC000538773415 504364672 /nfs/dbraw/zinc/36/46/72/504364672.db2.gz NHBHLQSLMRKFQK-FQEVSTJZSA-N 2 0 372.557 3.424 20 0 FGADRP CCc1ccc(NC(=O)N(CC[NH+](C)C)C[C@H]2CCC[N@H+]2CC)cc1C ZINC000538773395 504364716 /nfs/dbraw/zinc/36/47/16/504364716.db2.gz MSBVVJQCPCJMGM-HXUWFJFHSA-N 2 0 360.546 3.437 20 0 FGADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](CCOc2ccc(F)cc2Cl)C1 ZINC000538782659 504369454 /nfs/dbraw/zinc/36/94/54/504369454.db2.gz XQZXQSZTKKRFRX-INIZCTEOSA-N 2 0 358.885 3.291 20 0 FGADRP CC(C)[N@H+](C)CCC[NH2+][C@@H](C)CC(=O)Nc1cccc(Br)c1 ZINC000542141776 504379023 /nfs/dbraw/zinc/37/90/23/504379023.db2.gz SYIRDCNZZGCPJJ-AWEZNQCLSA-N 2 0 370.335 3.486 20 0 FGADRP CC[N@H+](C)Cc1cccc(CNC(=O)NC[C@]2([NH+](C)C)CCC[C@@H](C)C2)c1 ZINC000519937781 504388682 /nfs/dbraw/zinc/38/86/82/504388682.db2.gz PVKUMEIEZYLLFW-GCJKJVERSA-N 2 0 374.573 3.448 20 0 FGADRP C[C@H]1C[C@H](N(C)C(=O)[C@@]23CCC[C@@H]2C[NH+](Cc2ccccc2)C3)CC[N@@H+]1C ZINC000542185189 504396733 /nfs/dbraw/zinc/39/67/33/504396733.db2.gz IQFXQFVTRBOXCU-BWKHYTDRSA-N 2 0 369.553 3.230 20 0 FGADRP C[C@@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+][C@@H]1CCN(C2CC2)C1 ZINC000531702580 504397413 /nfs/dbraw/zinc/39/74/13/504397413.db2.gz BNSBROXOBBCERZ-GXTWGEPZSA-N 2 0 371.403 3.129 20 0 FGADRP CCCCOc1ccccc1C[N@@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000545239935 504411008 /nfs/dbraw/zinc/41/10/08/504411008.db2.gz WTCZFCCTGAPIOO-OAQYLSRUSA-N 2 0 359.558 3.466 20 0 FGADRP C[C@@H](CC[NH+](C)C)NC(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000520114261 504414277 /nfs/dbraw/zinc/41/42/77/504414277.db2.gz ZBBWVWDDHWMTBI-YJBOKZPZSA-N 2 0 366.937 3.116 20 0 FGADRP C[C@@H]([NH2+][C@H]1CN(C)Cc2ccccc21)c1cccc(OCC[NH+](C)C)c1 ZINC000539050360 504457999 /nfs/dbraw/zinc/45/79/99/504457999.db2.gz IKEQGOUJXVPCMV-VGSWGCGISA-N 2 0 353.510 3.464 20 0 FGADRP CN1CCN(c2cc[nH+]cc2NC(=O)Cc2ccc(C(C)(C)C)cc2)CC1 ZINC000531937169 504480624 /nfs/dbraw/zinc/48/06/24/504480624.db2.gz IHTIHKVZTBQKDJ-UHFFFAOYSA-N 2 0 366.509 3.312 20 0 FGADRP CC(C)c1ccc2c(c1)[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1)CCC2 ZINC000535624253 504488446 /nfs/dbraw/zinc/48/84/46/504488446.db2.gz LQAJWKDZEDOLDQ-CTNGQTDRSA-N 2 0 357.542 3.364 20 0 FGADRP CC[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+]1C)c1ccccc1OCC(=O)N1CCCC1 ZINC000539250610 504512519 /nfs/dbraw/zinc/51/25/19/504512519.db2.gz AMBOLZJQYOLYOX-AZUAARDMSA-N 2 0 373.541 3.213 20 0 FGADRP CCC(C)(C)[NH2+][C@H](C)C(=O)Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1 ZINC000542504645 504516370 /nfs/dbraw/zinc/51/63/70/504516370.db2.gz XTTFPCJQQSKUCB-QGZVFWFLSA-N 2 0 372.557 3.324 20 0 FGADRP C[C@@H]([NH2+]CCc1ccc(OCC[N@@H+]2C[C@H](C)[C@H](C)C2)cc1)c1cnn(C)c1 ZINC000539294736 504522285 /nfs/dbraw/zinc/52/22/85/504522285.db2.gz FKWPGFMLKNBAQG-CEXWTWQISA-N 2 0 370.541 3.280 20 0 FGADRP C[C@@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)c1ccc(Cl)c(F)c1 ZINC000535778271 504542826 /nfs/dbraw/zinc/54/28/26/504542826.db2.gz VIEKZDHBMRGKJH-CQSZACIVSA-N 2 0 362.880 3.477 20 0 FGADRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCC[NH+]2[C@H](C)CCC[C@H]2C)C1 ZINC000520756146 504574631 /nfs/dbraw/zinc/57/46/31/504574631.db2.gz FCUMQOPHXSNHJR-KZNAEPCWSA-N 2 0 352.567 3.059 20 0 FGADRP CN1CC[NH+](CC2(C)CC[NH+](Cc3cccc4c3OC(C)(C)C4)CC2)CC1 ZINC000542689138 504576306 /nfs/dbraw/zinc/57/63/06/504576306.db2.gz PJXIJCAKCOLLSW-UHFFFAOYSA-N 2 0 371.569 3.250 20 0 FGADRP CC[NH+](CC)Cc1ccccc1CNC(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000520772948 504578095 /nfs/dbraw/zinc/57/80/95/504578095.db2.gz MVKWJJXOSDPQTH-OAQYLSRUSA-N 2 0 372.557 3.298 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)NCCC[N@@H+]1CCCC[C@H]1C)c1ccco1 ZINC000520892812 504605254 /nfs/dbraw/zinc/60/52/54/504605254.db2.gz OIDVQGCRFAFZQG-MSOLQXFVSA-N 2 0 364.534 3.226 20 0 FGADRP CN(CCC(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1)c1cc[nH+]cc1 ZINC000542786723 504610673 /nfs/dbraw/zinc/61/06/73/504610673.db2.gz PZXOXJYLFLRHLO-OXJNMPFZSA-N 2 0 372.538 3.169 20 0 FGADRP C[C@]12C[C@H]1CCC[C@H]2[NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000520996626 504625673 /nfs/dbraw/zinc/62/56/73/504625673.db2.gz DTUJRRCSUYCAOD-SJBKTWHCSA-N 2 0 355.526 3.052 20 0 FGADRP C[C@@H]([NH2+]CCn1cnc2ccccc21)c1ccc(OCC[NH+](C)C)cc1 ZINC000532476495 504664062 /nfs/dbraw/zinc/66/40/62/504664062.db2.gz GYHGTTPSPPKKJK-QGZVFWFLSA-N 2 0 352.482 3.328 20 0 FGADRP CC[NH+](CC)CCOc1ccccc1C[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000536307342 504692833 /nfs/dbraw/zinc/69/28/33/504692833.db2.gz IKJZTFDFVYPRCJ-CEWLAPEOSA-N 2 0 358.526 3.454 20 0 FGADRP CCC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)NCC[C@H]1CCC[NH+](C)C1 ZINC000529482769 504692920 /nfs/dbraw/zinc/69/29/20/504692920.db2.gz OGVZCPZSHLUIKD-YPAWHYETSA-N 2 0 371.569 3.383 20 0 FGADRP Cc1ncsc1C[N@@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000539822509 504704442 /nfs/dbraw/zinc/70/44/42/504704442.db2.gz HCFPQVSDQKWUDE-UHFFFAOYSA-N 2 0 350.576 3.080 20 0 FGADRP CCOC(=O)CC[NH2+][C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000549164274 504708082 /nfs/dbraw/zinc/70/80/82/504708082.db2.gz CNFPQKLGEANAQX-LEWJYISDSA-N 2 0 352.478 3.197 20 0 FGADRP CC[NH+]1CCN(Cc2ccccc2C[NH2+][C@H](C)C2CC(F)(F)C2)CC1 ZINC000529535594 504719867 /nfs/dbraw/zinc/71/98/67/504719867.db2.gz YNESJEQGSIREPI-MRXNPFEDSA-N 2 0 351.485 3.348 20 0 FGADRP C[NH+](C)CC1(CNC(=O)c2ccc(Nc3cc[nH+]cc3)cc2)CCCC1 ZINC000546134464 504722356 /nfs/dbraw/zinc/72/23/56/504722356.db2.gz WPHICHXNVXYERI-UHFFFAOYSA-N 2 0 352.482 3.099 20 0 FGADRP CC[NH+](CC)C[C@@H](C)NC(=O)[C@H](C)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000521380926 504724433 /nfs/dbraw/zinc/72/44/33/504724433.db2.gz MQJOFHITWCKCCV-MOPGFXCFSA-N 2 0 359.558 3.176 20 0 FGADRP C[C@@H]([NH2+]C[C@@]1(O)CCN(Cc2ccccc2)C1)[C@@H]1C[C@H]1c1ccccc1 ZINC000549236041 504733771 /nfs/dbraw/zinc/73/37/71/504733771.db2.gz VFRHGIXKXWNWPT-PVSGBFIBSA-N 2 0 350.506 3.405 20 0 FGADRP C[C@H](CNC(=O)N1CCC[N@H+](Cc2ccccc2)CC1)[NH+]1CCC(C)CC1 ZINC000521509781 504750280 /nfs/dbraw/zinc/75/02/80/504750280.db2.gz ZZWGXIPUNYDZFO-HXUWFJFHSA-N 2 0 372.557 3.024 20 0 FGADRP Cc1ccc([C@@H](Cn2ccnc2)NC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)c(C)c1 ZINC000532754321 504751886 /nfs/dbraw/zinc/75/18/86/504751886.db2.gz VNKAHORFAIHJJG-WSTZPKSXSA-N 2 0 354.498 3.230 20 0 FGADRP C[NH+](C)C1CCC(Nc2cncc(NC3CCC([NH+](C)C)CC3)n2)CC1 ZINC000521603159 504762740 /nfs/dbraw/zinc/76/27/40/504762740.db2.gz RFIZWOYRRMFMJA-UHFFFAOYSA-N 2 0 360.550 3.046 20 0 FGADRP C[C@H](CC[NH+](C)C)NC(=O)NCc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000521605354 504763286 /nfs/dbraw/zinc/76/32/86/504763286.db2.gz LJIKAKSQVCAGHE-QZTJIDSGSA-N 2 0 360.546 3.200 20 0 FGADRP C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC000553043602 504812826 /nfs/dbraw/zinc/81/28/26/504812826.db2.gz XDJVVQXHXDMDQH-ROUUACIJSA-N 2 0 359.558 3.277 20 0 FGADRP C[C@H]([NH2+]CCCN1CC[NH+](Cc2ccccc2)CC1)c1ccncc1F ZINC000556233113 504824407 /nfs/dbraw/zinc/82/44/07/504824407.db2.gz FTXHTIYGBFPYTA-SFHVURJKSA-N 2 0 356.489 3.079 20 0 FGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCc2cc(C(F)(F)F)ccn2)[C@@H](C)C1 ZINC000556234067 504824708 /nfs/dbraw/zinc/82/47/08/504824708.db2.gz ULBDCTFLYCSEFW-MAUKXSAKSA-N 2 0 373.463 3.370 20 0 FGADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]C2CCN(Cc3ccc(Br)cc3)CC2)C1 ZINC000565225820 504830321 /nfs/dbraw/zinc/83/03/21/504830321.db2.gz GNRLOZSPAKLFKP-SJLPKXTDSA-N 2 0 366.347 3.273 20 0 FGADRP CC1CC[NH+](CCc2cccc(NC(=O)N[C@@H]3CC[NH2+]C[C@H]3C)c2)CC1 ZINC000565292042 504846277 /nfs/dbraw/zinc/84/62/77/504846277.db2.gz JLRRRZDITYOMLK-YLJYHZDGSA-N 2 0 358.530 3.081 20 0 FGADRP O=C(NC1CCCCC1)N1CCC([NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)CC1 ZINC000565298640 504847720 /nfs/dbraw/zinc/84/77/20/504847720.db2.gz MREOQWXNLYYVJQ-XUVXKRRUSA-N 2 0 362.562 3.003 20 0 FGADRP Cc1cnccc1CC[N@@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000565304853 504849159 /nfs/dbraw/zinc/84/91/59/504849159.db2.gz RJMBLMFFPGSPHK-UHFFFAOYSA-N 2 0 358.574 3.061 20 0 FGADRP C[NH+]1CCC(Oc2ccc(C[NH2+]Cc3cccc4c[nH]nc43)cc2)CC1 ZINC000556409014 504865775 /nfs/dbraw/zinc/86/57/75/504865775.db2.gz OGXSQTAWXXRFII-UHFFFAOYSA-N 2 0 350.466 3.326 20 0 FGADRP Cn1nccc1[C@H]1CCC[C@@H]([NH2+]CCc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000562615098 504880304 /nfs/dbraw/zinc/88/03/04/504880304.db2.gz CZXZZHAKPBHPHH-VQTJNVASSA-N 2 0 370.541 3.219 20 0 FGADRP C[NH+](C)Cc1ccc(C(=O)Nc2cccc(C[NH+]3CCCCC3)c2)cn1 ZINC000549755500 504889405 /nfs/dbraw/zinc/88/94/05/504889405.db2.gz PXHMCOIEJXKAFX-UHFFFAOYSA-N 2 0 352.482 3.381 20 0 FGADRP Clc1ccc([C@H]2CCC[C@@H]2[NH2+]Cc2nnc(C3CC[NH2+]CC3)[nH]2)cc1 ZINC000565476558 504899359 /nfs/dbraw/zinc/89/93/59/504899359.db2.gz RPBXOQSEFDQPLJ-SJORKVTESA-N 2 0 359.905 3.351 20 0 FGADRP C[NH+]1CCC(Oc2ccc(C[NH2+]Cc3ccc4c(n3)CCC4)cc2)CC1 ZINC000562686960 504909293 /nfs/dbraw/zinc/90/92/93/504909293.db2.gz CRBUHMJZKKUYBW-UHFFFAOYSA-N 2 0 351.494 3.333 20 0 FGADRP CN(C(=O)[C@@H]1CCCC[NH+]1Cc1ccccc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000553494658 504932005 /nfs/dbraw/zinc/93/20/05/504932005.db2.gz WDVMOMGGGBQXBE-JKWVGCSGSA-N 2 0 355.526 3.125 20 0 FGADRP Cc1nn(-c2cccc(F)c2)cc1C[NH+]1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000562750314 504932573 /nfs/dbraw/zinc/93/25/73/504932573.db2.gz GNTIUXVSYOCFAR-LEWJYISDSA-N 2 0 372.488 3.038 20 0 FGADRP COc1ccncc1CN[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000559870630 504941012 /nfs/dbraw/zinc/94/10/12/504941012.db2.gz GXPCWSRFOCQEQJ-SESVDKBCSA-N 2 0 351.494 3.481 20 0 FGADRP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH2+][C@H]1CCOC2(CCOCC2)C1 ZINC000553541564 504944418 /nfs/dbraw/zinc/94/44/18/504944418.db2.gz RWZBRKSOBCWWDU-FQEVSTJZSA-N 2 0 360.542 3.462 20 0 FGADRP C/C(=C/c1cccc(C(F)(F)F)c1)C[NH2+]C[C@@H](C)N1CC[NH+](C)CC1 ZINC000565739060 504973127 /nfs/dbraw/zinc/97/31/27/504973127.db2.gz XHOUSJWOEILYFT-UVQBRAAOSA-N 2 0 355.448 3.334 20 0 FGADRP CC(=O)N1CCC([NH2+][C@@H]2CCCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000556864179 504999659 /nfs/dbraw/zinc/99/96/59/504999659.db2.gz CNUGWFUTFCUDIA-MDNUFGMLSA-N 2 0 369.553 3.278 20 0 FGADRP CC[C@@H]([NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1)c1cccc(C)c1 ZINC000556869460 505001399 /nfs/dbraw/zinc/00/13/99/505001399.db2.gz JLDVEGRGSXANJF-OAQYLSRUSA-N 2 0 367.541 3.428 20 0 FGADRP CC[NH+](CC)CCOc1ccc(C(=O)N2CC[C@@H]([NH+]3CCCC3)[C@H]2C)cc1 ZINC000553790548 505012350 /nfs/dbraw/zinc/01/23/50/505012350.db2.gz HMGLPFLENWLOQJ-WIYYLYMNSA-N 2 0 373.541 3.106 20 0 FGADRP CCC[NH+]1CCC(C[NH2+]C[C@H](O)CO[C@H](C)c2ccc(Cl)cc2)CC1 ZINC000565887535 505017448 /nfs/dbraw/zinc/01/74/48/505017448.db2.gz UPXRHGUUTMYYEZ-UZLBHIALSA-N 2 0 368.949 3.490 20 0 FGADRP C[NH+](C)CCOc1cccc(NC(=O)N2CCCC[C@@H]2[C@@H]2CCC[NH2+]C2)c1 ZINC000556932257 505021557 /nfs/dbraw/zinc/02/15/57/505021557.db2.gz LUHFDNQQTOHWSV-YLJYHZDGSA-N 2 0 374.529 3.013 20 0 FGADRP Cc1cc(NC(=O)C[C@H]2CCCC[C@H]2[NH3+])ccc1OCC[NH+]1CCCC1 ZINC000563082774 505041713 /nfs/dbraw/zinc/04/17/13/505041713.db2.gz ODZFGNINHXSCPZ-IEBWSBKVSA-N 2 0 359.514 3.316 20 0 FGADRP Cc1nn(-c2cc[nH+]cc2)cc1CN(Cc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC000563130677 505056710 /nfs/dbraw/zinc/05/67/10/505056710.db2.gz RKYUKLCPSIKCRJ-QFIPXVFZSA-N 2 0 361.493 3.330 20 0 FGADRP CC[NH+](CC)Cc1ccccc1CNC(=O)NC[C@@H](C(C)C)[NH+]1CCCC1 ZINC000557102094 505065464 /nfs/dbraw/zinc/06/54/64/505065464.db2.gz XQZXBCLVFSRAKR-NRFANRHFSA-N 2 0 374.573 3.448 20 0 FGADRP Cc1ccc(C)c(OC[C@@H](O)C[NH2+]Cc2ccc(C[NH+](C)C)cc2)c1C ZINC000560392949 505070009 /nfs/dbraw/zinc/07/00/09/505070009.db2.gz IIFVWDYKKISVRZ-NRFANRHFSA-N 2 0 356.510 3.203 20 0 FGADRP C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(OCCC[NH+](C)C)cc2)[C@@H](n2cncn2)C1 ZINC000550646191 505078901 /nfs/dbraw/zinc/07/89/01/505078901.db2.gz ZWZRVSUQMDRBNJ-UIFIKXQLSA-N 2 0 371.529 3.128 20 0 FGADRP CC1CC[NH+](Cc2ccccc2CNC(=O)N2CC[C@H](C)[C@@H](C[NH3+])C2)CC1 ZINC000557205119 505092876 /nfs/dbraw/zinc/09/28/76/505092876.db2.gz PEHGGYPJQIFCHV-RXVVDRJESA-N 2 0 372.557 3.045 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)[C@@H]1CC[NH2+][C@H]1C)c1ccc(C(F)(F)F)cc1 ZINC000566163457 505101665 /nfs/dbraw/zinc/10/16/65/505101665.db2.gz GMWYXZVPTCGMNJ-IAOVAPTHSA-N 2 0 371.447 3.203 20 0 FGADRP O=C1C[C@@H](C[NH2+]C2CC[NH+](C3CCCC3)CC2)CN1Cc1ccccc1 ZINC000557274390 505102815 /nfs/dbraw/zinc/10/28/15/505102815.db2.gz UMYBKNCJTVAISQ-IBGZPJMESA-N 2 0 355.526 3.032 20 0 FGADRP CCC[N@@H+]1CC[C@H](CNC(=O)N[C@H](C)[C@@H](c2ccccc2C)[NH+](C)C)C1 ZINC000554192598 505113057 /nfs/dbraw/zinc/11/30/57/505113057.db2.gz ZYFJOVPEAAUPPT-GGPKGHCWSA-N 2 0 360.546 3.017 20 0 FGADRP C[C@@H]1CC2(CN1C(=O)[C@@H]1CCC[N@H+](Cc3cccc(F)c3)C1)CC[NH2+]CC2 ZINC000566209646 505113062 /nfs/dbraw/zinc/11/30/62/505113062.db2.gz UUBSEIWAEICJRN-IEBWSBKVSA-N 2 0 373.516 3.028 20 0 FGADRP CC(C)(C)[C@H](NC(=O)C[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)c1cccs1 ZINC000566245231 505121515 /nfs/dbraw/zinc/12/15/15/505121515.db2.gz MUKZUZBULPJOEF-FRQCXROJSA-N 2 0 363.571 3.273 20 0 FGADRP C[N@@H+]1CC[C@H]([NH2+]CCCc2nc(-c3ccc(F)cc3)no2)[C@@H]2CCC[C@@H]21 ZINC000560548165 505122649 /nfs/dbraw/zinc/12/26/49/505122649.db2.gz AIJFTHNHXIANSX-BZSNNMDCSA-N 2 0 358.461 3.271 20 0 FGADRP CCC[NH+]1CCN(c2ccccc2C[N@@H+]2CCCO[C@@H](C(C)C)C2)CC1 ZINC000560639875 505151802 /nfs/dbraw/zinc/15/18/02/505151802.db2.gz SCOVGCDRPSVANJ-JOCHJYFZSA-N 2 0 359.558 3.466 20 0 FGADRP CSC1(C[NH2+]C2CCC(C(=O)OC(C)(C)C)CC2)CC[NH+](C)CC1 ZINC000563482798 505152531 /nfs/dbraw/zinc/15/25/31/505152531.db2.gz KFBMUEFOJTUZTP-UHFFFAOYSA-N 2 0 356.576 3.304 20 0 FGADRP [NH3+][C@H]1CCC[C@@H]([NH2+]CCCOc2ncc(C(F)(F)F)cc2Cl)C1 ZINC000566483719 505187077 /nfs/dbraw/zinc/18/70/77/505187077.db2.gz WKRKSBRLYRTPKA-NWDGAFQWSA-N 2 0 351.800 3.382 20 0 FGADRP CC1(C)OCC[C@@H]1[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000551265433 505188234 /nfs/dbraw/zinc/18/82/34/505188234.db2.gz VKWODOHPQOZXKD-UXHICEINSA-N 2 0 358.526 3.072 20 0 FGADRP CC[C@H](C(=O)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1)[NH+](CC)CC ZINC000557641494 505191012 /nfs/dbraw/zinc/19/10/12/505191012.db2.gz TYUZBFXQRLALAN-IFMALSPDSA-N 2 0 357.542 3.231 20 0 FGADRP CC(C)Cc1ccc([C@@H](CNC(=O)NC[C@H]2CCC[N@H+](C)C2)[NH+](C)C)cc1 ZINC000554550052 505205191 /nfs/dbraw/zinc/20/51/91/505205191.db2.gz ATFMPNFADVHJFT-TZIWHRDSSA-N 2 0 374.573 3.129 20 0 FGADRP O=C(N[C@@H]1CCC[N@H+](CC[C@H]2CCC[NH2+]C2)C1)c1cc2ccccc2o1 ZINC000563667928 505205322 /nfs/dbraw/zinc/20/53/22/505205322.db2.gz XPUVHELGCLNZPH-SJLPKXTDSA-N 2 0 355.482 3.017 20 0 FGADRP O[C@@H]1CCC[C@@H]1[NH+]1CCC([NH2+][C@H](C[C@H]2CCOC2)c2ccccc2)CC1 ZINC000560917113 505211232 /nfs/dbraw/zinc/21/12/32/505211232.db2.gz FDBUTPWMBHPYDC-HLRQEUIKSA-N 2 0 358.526 3.122 20 0 FGADRP COc1ccc(C[NH+]2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)c(OC(F)F)c1 ZINC000560981427 505222020 /nfs/dbraw/zinc/22/20/20/505222020.db2.gz USMIWJKOIRVGCN-WMZOPIPTSA-N 2 0 370.440 3.015 20 0 FGADRP CC[NH+](CC)CC1CC[NH+](C[C@@H]2CN(Cc3ccccc3)CCCO2)CC1 ZINC000563737275 505224614 /nfs/dbraw/zinc/22/46/14/505224614.db2.gz GSAKYQJXFMKSMU-HSZRJFAPSA-N 2 0 373.585 3.331 20 0 FGADRP COc1ncc([C@H](C)[NH2+]CCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1Cl ZINC000551529068 505244978 /nfs/dbraw/zinc/24/49/78/505244978.db2.gz AOQQDHOEPMTZNX-ZNMIVQPWSA-N 2 0 355.910 3.284 20 0 FGADRP CC[NH+]1CCN(CCC[NH2+][C@H]2CCCc3c4cc(C)ccc4[nH]c32)CC1 ZINC000554735580 505252255 /nfs/dbraw/zinc/25/22/55/505252255.db2.gz UHMZTQNZILJYNC-NRFANRHFSA-N 2 0 354.542 3.471 20 0 FGADRP CC(=O)N1C[C@@H]2CCC[C@H]([NH2+][C@H](C)[C@H]3CC[N@H+](Cc4ccccc4)C3)[C@@H]2C1 ZINC000554741829 505253802 /nfs/dbraw/zinc/25/38/02/505253802.db2.gz PHFPGCWDYBMLSX-PWVUHJLOSA-N 2 0 369.553 3.134 20 0 FGADRP C[NH+](C)[C@H]1CCC[C@@H]([NH2+]Cc2cccc(I)c2)C1 ZINC000551592509 505262900 /nfs/dbraw/zinc/26/29/00/505262900.db2.gz QMUYLZOMIHVISV-CABCVRRESA-N 2 0 358.267 3.254 20 0 FGADRP C[C@H](NC(=O)C[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)c1cccc2ccccc21 ZINC000566797103 505274599 /nfs/dbraw/zinc/27/45/99/505274599.db2.gz VUXPNEJCZMGGNO-DFQSSKMNSA-N 2 0 365.521 3.339 20 0 FGADRP C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2C[NH2+]Cc3ccccc32)[C@@H]1c1cccs1 ZINC000563955553 505287884 /nfs/dbraw/zinc/28/78/84/505287884.db2.gz KURLHIJFSBSCJB-IMFGXOCKSA-N 2 0 369.534 3.134 20 0 FGADRP C[C@H]1C[C@H]1[N@@H+]1CCN(C(=O)C2CC[NH+](Cc3ccccc3)CC2)C[C@@H](C)C1 ZINC000558022172 505288311 /nfs/dbraw/zinc/28/83/11/505288311.db2.gz HWVJMFVFITYAQO-CNNODRBYSA-N 2 0 369.553 3.087 20 0 FGADRP Cc1ccc(C[NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c(-c2cnn(C)c2)c1 ZINC000554915668 505298728 /nfs/dbraw/zinc/29/87/28/505298728.db2.gz XSABMPNPIXLWCT-KDURUIRLSA-N 2 0 370.541 3.375 20 0 FGADRP COc1ccc([C@H]2C[C@@H]2[C@@H](C)[NH2+]Cc2ccnc(OCC[NH+](C)C)c2)cc1 ZINC000551789402 505307633 /nfs/dbraw/zinc/30/76/33/505307633.db2.gz PVJSQTUZBMZCPQ-MAODMQOUSA-N 2 0 369.509 3.312 20 0 FGADRP COc1ccc([C@@H](C[NH+](C)C)N[C@@H]2CC[N@H+](CCc3ccccc3)C2)cc1 ZINC000551806642 505314286 /nfs/dbraw/zinc/31/42/86/505314286.db2.gz UWIKGVQIAUQORM-FYYLOGMGSA-N 2 0 367.537 3.205 20 0 FGADRP CC(C)Cc1ccc([C@@H](C[NH2+][C@@H](C)C(C)(C)n2cncn2)N(C)C)cc1 ZINC000555002701 505325567 /nfs/dbraw/zinc/32/55/67/505325567.db2.gz FTZSEKRAOSUPTI-FXAWDEMLSA-N 2 0 357.546 3.493 20 0 FGADRP C[C@@H]1C[C@H]([NH2+]Cc2nnc(C3CC[NH2+]CC3)[nH]2)C[C@@H](c2ccccc2)C1 ZINC000566968292 505326167 /nfs/dbraw/zinc/32/61/67/505326167.db2.gz MPPVMWMAJVZXNX-SNRMKQJTSA-N 2 0 353.514 3.334 20 0 FGADRP C[C@@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCC2(CCCC2)CC1 ZINC000567001025 505334471 /nfs/dbraw/zinc/33/44/71/505334471.db2.gz DFKXZGGIXDLCEO-PZJWPPBQSA-N 2 0 369.553 3.422 20 0 FGADRP C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)NCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000561506530 505363347 /nfs/dbraw/zinc/36/33/47/505363347.db2.gz ZMDNCHZRCRSAHD-RDGPPVDQSA-N 2 0 364.578 3.011 20 0 FGADRP CC[C@@H]([NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1)c1ccc(Cl)s1 ZINC000558393076 505374803 /nfs/dbraw/zinc/37/48/03/505374803.db2.gz JDMRLZVEHVDJNT-CQSZACIVSA-N 2 0 355.935 3.185 20 0 FGADRP C[C@@H]([NH2+]C1(CO)Cc2ccccc2C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000567147510 505376854 /nfs/dbraw/zinc/37/68/54/505376854.db2.gz PHOHSQCRIHRYOO-GCJKJVERSA-N 2 0 350.506 3.017 20 0 FGADRP CS[C@H](CO)[C@H](C)[NH2+][C@@H]1CCCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000552047641 505381404 /nfs/dbraw/zinc/38/14/04/505381404.db2.gz TWXVVTVUEWKMHB-JOZSIVFUSA-N 2 0 362.583 3.379 20 0 FGADRP C[N@@H+]1CC[C@H]([NH2+]C[C@H](CO)Cc2ccccc2C(F)(F)F)[C@H]2CCC[C@H]21 ZINC000552063309 505386872 /nfs/dbraw/zinc/38/68/72/505386872.db2.gz VXKOQCNBYYBOAC-SKWUIDRYSA-N 2 0 370.459 3.319 20 0 FGADRP CO[C@]1(C[NH2+][C@@H]2CCCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CCOC1 ZINC000552065485 505388031 /nfs/dbraw/zinc/38/80/31/505388031.db2.gz BKUQJLUPQXRJPI-MBDNFAEBSA-N 2 0 358.526 3.072 20 0 FGADRP CSC1(C[NH2+][C@H](C)CC(=O)Nc2cccc(C)c2C)CC[NH+](C)CC1 ZINC000558507846 505411970 /nfs/dbraw/zinc/41/19/70/505411970.db2.gz QRAZOQWRBZOUGT-MRXNPFEDSA-N 2 0 363.571 3.438 20 0 FGADRP CCc1nc(C(C)C)ccc1CN1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000555417652 505428039 /nfs/dbraw/zinc/42/80/39/505428039.db2.gz FXEAPPGVDHCZOO-XMSQKQJNSA-N 2 0 358.574 3.225 20 0 FGADRP COCC[C@](C)(O)C[NH2+][C@@H]1CCCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000552245004 505439295 /nfs/dbraw/zinc/43/92/95/505439295.db2.gz QBDLODSKGPQEED-MBDNFAEBSA-N 2 0 360.542 3.054 20 0 FGADRP C[N@H+](CCOc1cccc(C[NH2+][C@H]2CCC[C@H]3C[C@H]32)c1)C1CCOCC1 ZINC000558699625 505467339 /nfs/dbraw/zinc/46/73/39/505467339.db2.gz XWSIOFYYWWVFRZ-BWAGFHJFSA-N 2 0 358.526 3.454 20 0 FGADRP CC(C)[NH2+]CCC(=O)NC[C@@H](c1ccccc1)N1CCc2sccc2C1 ZINC000561948634 505475518 /nfs/dbraw/zinc/47/55/18/505475518.db2.gz IWPKAMXJVOOXBQ-IBGZPJMESA-N 2 0 371.550 3.352 20 0 FGADRP CC[NH+](CC)CCCNC(=O)C1CC[NH+](Cc2cccc3[nH]ccc32)CC1 ZINC000561971709 505482253 /nfs/dbraw/zinc/48/22/53/505482253.db2.gz SGQNNLSQUAFOOS-UHFFFAOYSA-N 2 0 370.541 3.228 20 0 FGADRP C[C@H](c1nc(-c2ccccc2)no1)[NH+]1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000567573903 505503133 /nfs/dbraw/zinc/50/31/33/505503133.db2.gz MREQCBRHGIJIQW-JLSDUUJJSA-N 2 0 356.470 3.016 20 0 FGADRP CC1(C)CC([NH2+]C[C@H](O)COc2ccccc2C(F)(F)F)CC(C)(C)[NH2+]1 ZINC000567576413 505503951 /nfs/dbraw/zinc/50/39/51/505503951.db2.gz CUCVREGAMUZVIQ-AWEZNQCLSA-N 2 0 374.447 3.344 20 0 FGADRP [NH3+][C@H]1C[C@@H]([NH2+]CC2(c3ccc4c(c3)OCO4)CCOCC2)c2ccccc21 ZINC000567642336 505522366 /nfs/dbraw/zinc/52/23/66/505522366.db2.gz JMFLHGGZWFLHSY-RBUKOAKNSA-N 2 0 366.461 3.198 20 0 FGADRP C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)NCC[C@@H]2CCC[NH2+]C2)c1 ZINC000564837077 505533899 /nfs/dbraw/zinc/53/38/99/505533899.db2.gz WXJBHYIJDDPSBW-IBGZPJMESA-N 2 0 365.521 3.438 20 0 FGADRP CN1CCN([C@@H](C[NH2+]CC2Cc3ccccc3C2)c2cccs2)CC1 ZINC000562201076 505538355 /nfs/dbraw/zinc/53/83/55/505538355.db2.gz AOBQMWYRSRXXQF-FQEVSTJZSA-N 2 0 355.551 3.041 20 0 FGADRP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)N2CCc3ccccc3[C@H]2C[NH3+])C1 ZINC000564938732 505562024 /nfs/dbraw/zinc/56/20/24/505562024.db2.gz SHCXGVQJODUBHH-DBXWQHBBSA-N 2 0 372.557 3.012 20 0 FGADRP C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)NCCC[NH2+]C2CC2)c1 ZINC000565000584 505566701 /nfs/dbraw/zinc/56/67/01/505566701.db2.gz PUFFHOBZGAEJFW-UHFFFAOYSA-N 2 0 351.494 3.191 20 0 FGADRP CN1CCC([NH+]2CCC(CC[N@H+](C)C[C@H]3Cc4ccccc43)CC2)CC1 ZINC000582743439 506393390 /nfs/dbraw/zinc/39/33/90/506393390.db2.gz GNVIQIACNFZQRS-OAQYLSRUSA-N 2 0 355.570 3.454 20 0 FGADRP CC(C)C[NH+]1CCN(C(=O)NCc2ccccc2C[NH+]2CCCCC2)CC1 ZINC000612218580 506486286 /nfs/dbraw/zinc/48/62/86/506486286.db2.gz RDWDDZMYNHSCTQ-UHFFFAOYSA-N 2 0 372.557 3.156 20 0 FGADRP CC[NH+](CC)Cc1ccc(C(=O)NC[C@@H](C)[N@H+](C)Cc2ccccc2)o1 ZINC000599636754 506543144 /nfs/dbraw/zinc/54/31/44/506543144.db2.gz MBNUYQMMLPEVGA-QGZVFWFLSA-N 2 0 357.498 3.372 20 0 FGADRP CCc1ccc([C@@H](C)C(=O)N(CC[NH+](C)C)C[C@@H]2CCC[N@H+]2CC)cc1 ZINC000589947523 506685765 /nfs/dbraw/zinc/68/57/65/506685765.db2.gz KMJHRDQACDBTIE-NQIIRXRSSA-N 2 0 359.558 3.227 20 0 FGADRP CC[N@H+](C)[C@H](C(=O)NC[C@H](c1cccc(OC)c1)[NH+](C)C)c1ccccc1 ZINC000589992637 506698815 /nfs/dbraw/zinc/69/88/15/506698815.db2.gz GOCFLARBEGGXLF-RTWAWAEBSA-N 2 0 369.509 3.107 20 0 FGADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NC[C@H]1CCC[NH+]1Cc1ccccc1 ZINC000604107053 506715492 /nfs/dbraw/zinc/71/54/92/506715492.db2.gz YQHKZYVYPMVJTC-SVFBPWRDSA-N 2 0 372.557 3.071 20 0 FGADRP Cc1cccc(CN(CC[NH+](C)C)C(=O)NC[C@H](C)[N@@H+]2CCCC[C@@H]2C)c1 ZINC000604171465 506734660 /nfs/dbraw/zinc/73/46/60/506734660.db2.gz NUINIBVQJFKXDR-PMACEKPBSA-N 2 0 374.573 3.331 20 0 FGADRP C[C@@H]1CCC[N@H+](CCNC(=O)N[C@@H](C[NH+]2CCCCC2)c2ccccc2)C1 ZINC000604171435 506734826 /nfs/dbraw/zinc/73/48/26/506734826.db2.gz KWQFAVUUQZGZJW-CTNGQTDRSA-N 2 0 372.557 3.245 20 0 FGADRP CC[C@@H](NC(=O)C[NH+]1CCC(C[NH+](C)C)CC1)c1ccc(Cl)cc1 ZINC000590125432 506744208 /nfs/dbraw/zinc/74/42/08/506744208.db2.gz RMUFSHKVTFSRSH-GOSISDBHSA-N 2 0 351.922 3.181 20 0 FGADRP CC(C)[NH2+][C@@H]1CCCN(C(=O)N[C@H](C[NH+]2CCCCC2)c2ccccc2)C1 ZINC000604203714 506750338 /nfs/dbraw/zinc/75/03/38/506750338.db2.gz BQWBGQOHJRBOKA-NHCUHLMSSA-N 2 0 372.557 3.386 20 0 FGADRP CC(C)CN(CC[NH+](C)C)C(=O)N[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000604204342 506750541 /nfs/dbraw/zinc/75/05/41/506750541.db2.gz DXXBJFLPEZAUKK-OAQYLSRUSA-N 2 0 374.573 3.443 20 0 FGADRP C[C@@H]1[C@@H](NC(=O)N2CCC[NH+](C(C)(C)C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000583583939 506862104 /nfs/dbraw/zinc/86/21/04/506862104.db2.gz LSLAFUQMWRCDMH-QUCCMNQESA-N 2 0 372.557 3.165 20 0 FGADRP COC(=O)c1cccc(-c2nc(C[NH+]3CCC4(CC[NH2+]C4)CC3)cs2)c1 ZINC000583631408 506886199 /nfs/dbraw/zinc/88/61/99/506886199.db2.gz WDCLNRCJMMOMIY-UHFFFAOYSA-N 2 0 371.506 3.172 20 0 FGADRP C[C@H]([NH2+]CC1CC[NH2+]CC1)c1ccc(OC[C@@H]2CCCCO2)c(F)c1 ZINC000583687516 506916870 /nfs/dbraw/zinc/91/68/70/506916870.db2.gz KMURZJSVPVVNMZ-YJBOKZPZSA-N 2 0 350.478 3.424 20 0 FGADRP C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000583806713 506984101 /nfs/dbraw/zinc/98/41/01/506984101.db2.gz SRXOHNZLHDHGCM-KBUPBQIOSA-N 2 0 369.431 3.400 20 0 FGADRP C[NH2+]CC1CC[NH+](Cc2cc3c(cc2Br)OCCCO3)CC1 ZINC000583813071 506986872 /nfs/dbraw/zinc/98/68/72/506986872.db2.gz RFTJBPWREMOQNU-UHFFFAOYSA-N 2 0 369.303 3.042 20 0 FGADRP C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1NC(=O)c1cccc(C[N@H+](C)Cc2ccccc2)c1 ZINC000583929224 507054077 /nfs/dbraw/zinc/05/40/77/507054077.db2.gz SUTFYGHJONQQOP-KGVIQGDOSA-N 2 0 365.521 3.435 20 0 FGADRP Cc1ccc(-c2cc(C[NH+]3CCC(C[NH+]4CCOCC4)CC3)on2)cc1 ZINC000613440816 507089950 /nfs/dbraw/zinc/08/99/50/507089950.db2.gz QSZGBSWKVRKTAX-UHFFFAOYSA-N 2 0 355.482 3.194 20 0 FGADRP C[NH+](C)CCCOc1ccc(NC(=O)NCC[N@H+](C)C2CCCC2)cc1 ZINC000605200171 507108931 /nfs/dbraw/zinc/10/89/31/507108931.db2.gz INVPNFCFKHIGND-UHFFFAOYSA-N 2 0 362.518 3.013 20 0 FGADRP CC[N@@H+]1CCCC[C@H]1C(=O)NCc1ccc(C[NH+]2CCC[C@@H](C)C2)cc1 ZINC000591096437 507112728 /nfs/dbraw/zinc/11/27/28/507112728.db2.gz NZQAZQCNBDJWKE-NQIIRXRSSA-N 2 0 357.542 3.409 20 0 FGADRP C[C@@H](CNC(=O)NCCCC[N@@H+]1CCCC[C@H]1C)[NH+](C)Cc1ccccc1 ZINC000600854956 507148256 /nfs/dbraw/zinc/14/82/56/507148256.db2.gz YKGMGHQIECKASR-UXHICEINSA-N 2 0 374.573 3.461 20 0 FGADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)NC[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000600859700 507150805 /nfs/dbraw/zinc/15/08/05/507150805.db2.gz MXYFRQOYDNIDMX-NHCUHLMSSA-N 2 0 372.557 3.072 20 0 FGADRP CN1CC[NH+](CC2CC[NH+](Cc3c(Cl)ccc4cccnc43)CC2)CC1 ZINC000605423052 507187699 /nfs/dbraw/zinc/18/76/99/507187699.db2.gz SSNJGQJAFPKLQP-UHFFFAOYSA-N 2 0 372.944 3.348 20 0 FGADRP C[C@@H]([NH2+][C@H](CO)Cc1ccc(F)cc1)c1cccc(OCC[NH+](C)C)c1 ZINC000584248284 507235298 /nfs/dbraw/zinc/23/52/98/507235298.db2.gz JLAHXQPSYQONKD-UZLBHIALSA-N 2 0 360.473 3.020 20 0 FGADRP CC[NH+]1CCC(NC(=O)c2ccccc2OCC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000591425821 507246051 /nfs/dbraw/zinc/24/60/51/507246051.db2.gz XLOFKMAERXSNTQ-GOSISDBHSA-N 2 0 373.541 3.154 20 0 FGADRP C[NH+](C)CCCCC(=O)Nc1cccc(NC(=O)C[NH+]2CCCCCC2)c1 ZINC000591452365 507255555 /nfs/dbraw/zinc/25/55/55/507255555.db2.gz DKDLWQYTSFHKLS-UHFFFAOYSA-N 2 0 374.529 3.172 20 0 FGADRP COC(=O)COc1c(C)cc(C[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)cc1C ZINC000594735654 507261596 /nfs/dbraw/zinc/26/15/96/507261596.db2.gz MFHAYYRBCHOTAQ-HXUWFJFHSA-N 2 0 374.525 3.067 20 0 FGADRP C[C@@H]1C[C@H](NC(=O)NC[C@H]2CCCC[NH+](Cc3ccccc3)C2)CC[N@@H+]1C ZINC000584323906 507278494 /nfs/dbraw/zinc/27/84/94/507278494.db2.gz NGKFZZBMEUXGDL-HMXCVIKNSA-N 2 0 372.557 3.071 20 0 FGADRP CC(C)[C@@H](CNC(=O)NCCCC[N@@H+]1CCCC[C@@H]1C)[NH+]1CCCC1 ZINC000591559492 507292372 /nfs/dbraw/zinc/29/23/72/507292372.db2.gz SFVADDXASBHTBI-RBUKOAKNSA-N 2 0 352.567 3.061 20 0 FGADRP CC(C)[C@H](CNC(=O)NCCCC[N@@H+]1CCCC[C@H]1C)[NH+]1CCCC1 ZINC000591559490 507292562 /nfs/dbraw/zinc/29/25/62/507292562.db2.gz SFVADDXASBHTBI-MOPGFXCFSA-N 2 0 352.567 3.061 20 0 FGADRP COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]Cc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000594919797 507316089 /nfs/dbraw/zinc/31/60/89/507316089.db2.gz BEZRSLVONZBZOX-CDHQVMDDSA-N 2 0 356.466 3.199 20 0 FGADRP COc1cccc2c1OCCC[C@H]2[NH2+]CC1(SC)CC[NH+](C)CC1 ZINC000601279687 507319769 /nfs/dbraw/zinc/31/97/69/507319769.db2.gz IUUAGGNWLAXZAF-MRXNPFEDSA-N 2 0 350.528 3.326 20 0 FGADRP COc1ccc([C@@H](C[NH+]2CCCC2)NC(=O)CC2(C[NH3+])CCCCC2)cc1 ZINC000584470725 507362567 /nfs/dbraw/zinc/36/25/67/507362567.db2.gz GVUZZMVUVPZIMZ-HXUWFJFHSA-N 2 0 373.541 3.248 20 0 FGADRP CC(C)Cc1ccc(C(=O)N(C)[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)cc1 ZINC000601472825 507370143 /nfs/dbraw/zinc/37/01/43/507370143.db2.gz WIUTWPSTSAVKQR-OAQYLSRUSA-N 2 0 357.542 3.126 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N[C@H](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000606623192 507455199 /nfs/dbraw/zinc/45/51/99/507455199.db2.gz BSIRMGFTECPCIH-YLJYHZDGSA-N 2 0 360.546 3.099 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N[C@@H](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000606623189 507456137 /nfs/dbraw/zinc/45/61/37/507456137.db2.gz BSIRMGFTECPCIH-FXAWDEMLSA-N 2 0 360.546 3.099 20 0 FGADRP C[NH+](C)CCOc1ccc(C[NH+]2CCC(C(=O)OC(C)(C)C)CC2)cc1 ZINC000611268271 507591828 /nfs/dbraw/zinc/59/18/28/507591828.db2.gz IHDQKJRSIHNOFX-UHFFFAOYSA-N 2 0 362.514 3.181 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1)CC(C)C ZINC000592483668 507675066 /nfs/dbraw/zinc/67/50/66/507675066.db2.gz HFJAFNRBCFCYGV-HKUYNNGSSA-N 2 0 352.567 3.059 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccc(C(F)F)cc1 ZINC000588106092 507763759 /nfs/dbraw/zinc/76/37/59/507763759.db2.gz DGQUEMOEZRKFPD-QGZVFWFLSA-N 2 0 353.457 3.112 20 0 FGADRP CCOC1CC(CNc2nccc3cc(F)ccc32)(N2CCOCC2)C1 ZINC000517026667 562072091 /nfs/dbraw/zinc/07/20/91/562072091.db2.gz CFSQKUKCTNYFSN-UHFFFAOYSA-N 2 0 359.445 3.056 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCC[NH+](CCc3ccccc3)C2)[C@H](C)C1 ZINC000669123978 568082453 /nfs/dbraw/zinc/08/24/53/568082453.db2.gz LDCPSUMZFIXVCN-HJNYFJLDSA-N 2 0 371.569 3.130 20 0 FGADRP CC[NH+](CC)Cc1ccccc1C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC000821196566 607471001 /nfs/dbraw/zinc/47/10/01/607471001.db2.gz ANSLWSCTJACUMV-UHFFFAOYSA-N 2 0 368.460 3.137 20 0 FGADRP Fc1cc(-c2nn[nH]n2)ccc1C[NH2+]CCCCCCC[NH+]1CCCC1 ZINC000822741507 607479820 /nfs/dbraw/zinc/47/98/20/607479820.db2.gz YBMMMMAVSKCWNE-UHFFFAOYSA-N 2 0 360.481 3.142 20 0 FGADRP CC[NH+](CC)Cc1ccc(C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)cc1 ZINC000821199115 606405694 /nfs/dbraw/zinc/40/56/94/606405694.db2.gz ZGHWSXGCCBACGR-UHFFFAOYSA-N 2 0 356.499 3.060 20 0 FGADRP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2cc(-c3nn[nH]n3)cs2)CC1 ZINC000824936084 608742108 /nfs/dbraw/zinc/74/21/08/608742108.db2.gz DSESQOJNTWLSKH-HNNXBMFYSA-N 2 0 374.558 3.405 20 0 FGADRP CC(C)CC[NH+]1CCC(C[NH2+][C@@H](C)c2ccc(-c3nn[nH]n3)c(F)c2)CC1 ZINC000824249350 609147356 /nfs/dbraw/zinc/14/73/56/609147356.db2.gz MHIXQUGIRWYEFV-HNNXBMFYSA-N 2 0 374.508 3.415 20 0 FGADRP c1ccc(C[NH+]2CCCCC2)c(C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)c1 ZINC000826516542 609413159 /nfs/dbraw/zinc/41/31/59/609413159.db2.gz OSFUQEYXNYKVHV-UHFFFAOYSA-N 2 0 362.481 3.142 20 0 FGADRP Cc1ccc(C)c(NC(=S)N(CCC[NH+](C)C)CCC[NH+](C)C)c1 ZINC000007518586 695571258 /nfs/dbraw/zinc/57/12/58/695571258.db2.gz WAQIDDHSJJQHKY-UHFFFAOYSA-N 2 0 350.576 3.206 20 0 FGADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1cc2cccc(Cl)c2o1 ZINC000084601900 700360576 /nfs/dbraw/zinc/36/05/76/700360576.db2.gz GIRSBVGCWWYOSZ-UHFFFAOYSA-N 2 0 365.905 3.432 20 0 FGADRP COc1cc(Br)c(C[N@H+](C)C2CCC([NH3+])CC2)cc1OC ZINC000091844300 700427164 /nfs/dbraw/zinc/42/71/64/700427164.db2.gz SCFZXKBLRZABIB-UHFFFAOYSA-N 2 0 357.292 3.168 20 0 FGADRP C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]C[C@H](C1CC1)N(C)C ZINC000121043737 700664434 /nfs/dbraw/zinc/66/44/34/700664434.db2.gz IFPFTDBGSATJDR-BLLLJJGKSA-N 2 0 357.420 3.352 20 0 FGADRP C[C@H]([NH2+][C@H]1CCCC[C@@H]1CNC(=O)OC(C)(C)C)C1CC[NH+](C)CC1 ZINC000122386724 700688987 /nfs/dbraw/zinc/68/89/87/700688987.db2.gz DXYGQGKAKXHUGW-JQHSSLGASA-N 2 0 353.551 3.390 20 0 FGADRP C[C@@H]([NH2+]C[C@H](c1ccccc1Cl)N1CCOCC1)C1CC[NH+](C)CC1 ZINC000122746364 700695051 /nfs/dbraw/zinc/69/50/51/700695051.db2.gz UDRUWYANKOHXCB-OXQOHEQNSA-N 2 0 365.949 3.033 20 0 FGADRP CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]C2CC[NH+](CC3CCCC3)CC2)C1 ZINC000131893005 700821222 /nfs/dbraw/zinc/82/12/22/700821222.db2.gz HPPXTEYILDWKNT-GOSISDBHSA-N 2 0 351.535 3.240 20 0 FGADRP CCC[NH+]1CCN(c2ccccc2C[NH2+]C[C@@H]2CSCCS2)CC1 ZINC000151104349 704912431 /nfs/dbraw/zinc/91/24/31/704912431.db2.gz NHYNHKBRMNQTAV-GOSISDBHSA-N 2 0 365.612 3.157 20 0 FGADRP CN1CC[NH+](CCCC[NH2+][C@H]2CCSc3c(Cl)cccc32)CC1 ZINC000154429581 705034488 /nfs/dbraw/zinc/03/44/88/705034488.db2.gz SOONNHNXYRBXPH-KRWDZBQOSA-N 2 0 353.963 3.494 20 0 FGADRP O[C@@H](C[NH+]1CCC(CCC[NH+]2CCOCC2)CC1)c1ccc(Cl)cc1 ZINC000182980475 705871658 /nfs/dbraw/zinc/87/16/58/705871658.db2.gz FGOWPUYZOJXUPZ-FQEVSTJZSA-N 2 0 366.933 3.198 20 0 FGADRP COc1ccc([C@H](C)[NH2+]C[C@]2(O)CCSC2)cc1C[NH+]1CCCCC1 ZINC000183069541 705875839 /nfs/dbraw/zinc/87/58/39/705875839.db2.gz ZKFXAQUXLSLJOI-OXJNMPFZSA-N 2 0 364.555 3.200 20 0 FGADRP CCC[N@H+](C)C[C@@H]1CC[NH+](C[C@]2(C)CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000195175651 713547993 /nfs/dbraw/zinc/54/79/93/713547993.db2.gz RGPBJNZLVJFRFH-PXNSSMCTSA-N 2 0 353.551 3.297 20 0 FGADRP CC(C)(C)OC(=O)N1CC[C@@](C)(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)C1 ZINC000195174225 713548200 /nfs/dbraw/zinc/54/82/00/713548200.db2.gz PGRDKAYGDWWBKW-XLIONFOSSA-N 2 0 351.535 3.051 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)CC(C)(C)[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000236819863 713584097 /nfs/dbraw/zinc/58/40/97/713584097.db2.gz FJGLRAVAOITBET-HNNXBMFYSA-N 2 0 359.436 3.332 20 0 FGADRP COc1cc(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)ccc1OCC(F)(F)F ZINC000262083922 713718476 /nfs/dbraw/zinc/71/84/76/713718476.db2.gz UAQZYQXAZHUWKW-UHFFFAOYSA-N 2 0 358.404 3.212 20 0 FGADRP C[N@H+](Cc1ccccc1C[NH2+]C1CCS(=O)(=O)CC1)C1CCCCC1 ZINC000291280603 713770962 /nfs/dbraw/zinc/77/09/62/713770962.db2.gz YTKPMTNHPPNKPG-UHFFFAOYSA-N 2 0 364.555 3.118 20 0 FGADRP C[NH+](C)CCCC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000310513014 713799316 /nfs/dbraw/zinc/79/93/16/713799316.db2.gz QMMGXHWXXXPECS-RCCFBDPRSA-N 2 0 353.551 3.486 20 0 FGADRP Cc1cc(Br)ccc1[C@@H](C)[NH2+][C@@H](C)CN1CC[NH+](C)CC1 ZINC000641776272 717929023 /nfs/dbraw/zinc/92/90/23/717929023.db2.gz WMKPAEYFGOUPLX-LSDHHAIUSA-N 2 0 354.336 3.044 20 0 FGADRP C[N@@H+]1CCC[C@H](CNC(=O)C[C@H]([NH3+])c2ccccc2)[C@@H]1c1cccs1 ZINC000374412038 713920769 /nfs/dbraw/zinc/92/07/69/713920769.db2.gz PIKGCQYPVUWSAT-FUHIMQAGSA-N 2 0 357.523 3.337 20 0 FGADRP CCC[NH+]1CCC([NH2+][C@H]2CCN(C(=O)OC(C)(C)C)CC2(C)C)CC1 ZINC000385049073 713982740 /nfs/dbraw/zinc/98/27/40/713982740.db2.gz MZSMDDKAHSOGRJ-KRWDZBQOSA-N 2 0 353.551 3.486 20 0 FGADRP CC(C)(C)OC(=O)N[C@@H]1CCCCC[C@@H]1[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000385405794 713983072 /nfs/dbraw/zinc/98/30/72/713983072.db2.gz AEQMXHISTGOOJN-ZJPYXAASSA-N 2 0 351.535 3.429 20 0 FGADRP C[C@@H]1CC[C@](CO)([NH+](C)CCCCC[N@@H+](C)[C@@]2(CO)CC[C@@H](C)C2)C1 ZINC000495250162 714106037 /nfs/dbraw/zinc/10/60/37/714106037.db2.gz PUZQDXUTXBVJRD-CGXNFDGLSA-N 2 0 354.579 3.123 20 0 FGADRP C[C@@H]1CC[C@@](CO)([N@H+](C)CCCCC[NH+](C)[C@@]2(CO)CC[C@@H](C)C2)C1 ZINC000495250167 714106116 /nfs/dbraw/zinc/10/61/16/714106116.db2.gz PUZQDXUTXBVJRD-NCYKPQTJSA-N 2 0 354.579 3.123 20 0 FGADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)NCC[NH+]2[C@H](C)CCC[C@H]2C)C1 ZINC000521682869 714141440 /nfs/dbraw/zinc/14/14/40/714141440.db2.gz KTALOEUSAXZOSZ-GUDVDZBRSA-N 2 0 352.567 3.061 20 0 FGADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)NC[C@H](C)C[NH+]1CCCCC1 ZINC000521786312 714148236 /nfs/dbraw/zinc/14/82/36/714148236.db2.gz ZHEMQPVXFNLWTH-RBUKOAKNSA-N 2 0 352.567 3.062 20 0 FGADRP C[C@H]([NH2+][C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1)[C@H]1CCC[NH2+]C1 ZINC000575372961 714457553 /nfs/dbraw/zinc/45/75/53/714457553.db2.gz MQKJVSBCLXZURR-QILLFSRXSA-N 2 0 355.448 3.257 20 0 FGADRP COc1ccc([C@@H](C)[NH2+]CC2(SC)CC[NH+](C)CC2)cc1NC(C)=O ZINC000579695776 714495606 /nfs/dbraw/zinc/49/56/06/714495606.db2.gz FANBBMMVLIKGDX-CQSZACIVSA-N 2 0 365.543 3.132 20 0 FGADRP CCc1nc(CN2CCC(C[NH2+][C@@H]3CC[N@H+](C)C(C)(C)C3)CC2)cs1 ZINC000623414155 715330729 /nfs/dbraw/zinc/33/07/29/715330729.db2.gz VTVFQXLJGXOFAX-QGZVFWFLSA-N 2 0 364.603 3.380 20 0 FGADRP C[C@H]1C[NH+](CCCC[NH2+]Cc2ccsc2Br)C[C@H](C)O1 ZINC000623424955 715333863 /nfs/dbraw/zinc/33/38/63/715333863.db2.gz LZQGFEHMGVMMLF-STQMWFEESA-N 2 0 361.349 3.490 20 0 FGADRP C[NH+]1CCN(CCC[NH2+][C@@H]2CCCc3c4cc(Cl)ccc4[nH]c32)CC1 ZINC000623853689 715415494 /nfs/dbraw/zinc/41/54/94/715415494.db2.gz DSQJAJPJHPOARZ-LJQANCHMSA-N 2 0 360.933 3.426 20 0 FGADRP Cc1csc([C@H](C)[NH2+]CCCN2CC[N@H+](C)C[C@@H]2c2ccccc2)n1 ZINC000623861470 715417389 /nfs/dbraw/zinc/41/73/89/715417389.db2.gz YYEVPUSFKJSPSK-PKOBYXMFSA-N 2 0 358.555 3.481 20 0 FGADRP Cc1ccc(Br)cc1[C@@H](C)[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000623888439 715424995 /nfs/dbraw/zinc/42/49/95/715424995.db2.gz HFMAEKQBLJEYQA-MRXNPFEDSA-N 2 0 368.363 3.436 20 0 FGADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H]1CCCc2c3cc(Cl)ccc3[nH]c21 ZINC000623889920 715425459 /nfs/dbraw/zinc/42/54/59/715425459.db2.gz ZMPOLKIJMZLKGG-KUHUBIRLSA-N 2 0 360.933 3.424 20 0 FGADRP CN1CCO[C@@H]([C@@H](NC[C@H]2CCCC[N@H+](C)C2)c2ccc(Cl)cc2)C1 ZINC000624122582 715477641 /nfs/dbraw/zinc/47/76/41/715477641.db2.gz WDOOKMVCKQVTEJ-AHRSYUTCSA-N 2 0 365.949 3.033 20 0 FGADRP C[C@@H]1C[C@@H](NC(=O)N[C@H](C[NH+](C)C)c2ccc(Cl)c(Cl)c2)CC[NH2+]1 ZINC000627089856 715995745 /nfs/dbraw/zinc/99/57/45/715995745.db2.gz PUSIYYFCQUVKRB-PVXIVEMSSA-N 2 0 373.328 3.036 20 0 FGADRP C[NH+](C)C[C@@H](NC(=O)NC(C)(C)CC[NH3+])c1ccc(Cl)c(Cl)c1 ZINC000627220103 716009343 /nfs/dbraw/zinc/00/93/43/716009343.db2.gz LUKXBMZOZWLGMI-CQSZACIVSA-N 2 0 361.317 3.023 20 0 FGADRP CC1(C)C[NH+](CCCCCCCCC[N@@H+]2C[C@@H](O)C(C)(C)C2)C[C@H]1O ZINC000790448480 723141311 /nfs/dbraw/zinc/14/13/11/723141311.db2.gz BNERMLLWIVKFHI-RTBURBONSA-N 2 0 354.579 3.123 20 0 FGADRP C[C@@H]1[C@H](C(=O)N[C@@H](C[NH+](C)C)c2ccc(Cl)c(Cl)c2)CC[N@@H+]1C ZINC000628967976 716193257 /nfs/dbraw/zinc/19/32/57/716193257.db2.gz AOKOMYHVTZUAKT-KFNAQCHYSA-N 2 0 358.313 3.053 20 0 FGADRP O[C@H](C[NH2+]C[C@H]1CCN1C1CCCCC1)COc1ccccc1Cl ZINC000629609146 716321285 /nfs/dbraw/zinc/32/12/85/716321285.db2.gz WUYOTANXHZEVCN-IAGOWNOFSA-N 2 0 352.906 3.076 20 0 FGADRP C[NH+](C)CCCS(=O)(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000631701095 716664345 /nfs/dbraw/zinc/66/43/45/716664345.db2.gz HBEFHMDKTQACGR-UHFFFAOYSA-N 2 0 367.559 3.145 20 0 FGADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000635013837 717139974 /nfs/dbraw/zinc/13/99/74/717139974.db2.gz WQVKEXKBXBSAAH-JFIYKMOQSA-N 2 0 352.544 3.094 20 0 FGADRP O=C(NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)[C@@H]1CC[NH+]1C1CCCC1 ZINC000635454186 717171779 /nfs/dbraw/zinc/17/17/79/717171779.db2.gz UNBJOAKZKHSFHS-LPHOPBHVSA-N 2 0 361.555 3.093 20 0 FGADRP O=C(NCC1CC[NH+](Cc2cccs2)CC1)[C@H]1CC[N@@H+]1C1CCCC1 ZINC000635452733 717172091 /nfs/dbraw/zinc/17/20/91/717172091.db2.gz IPSJNQCYQDTOCG-LJQANCHMSA-N 2 0 361.555 3.093 20 0 FGADRP C[N@@H+]1CCC[C@@H](CC[NH2+]Cc2nc3cc(Br)ccc3o2)C1 ZINC000639258131 717538097 /nfs/dbraw/zinc/53/80/97/717538097.db2.gz ZXALTRPJYCFGSM-LBPRGKRZSA-N 2 0 352.276 3.412 20 0 FGADRP COc1cc(C[NH2+]CC2CC[NH+](C3CCOCC3)CC2)c(Cl)cc1O ZINC000639303365 717541996 /nfs/dbraw/zinc/54/19/96/717541996.db2.gz PPKXGGFKRTVLGH-UHFFFAOYSA-N 2 0 368.905 3.035 20 0 FGADRP C[NH+]1CCC2(CC[N@H+](Cc3cn4cc(Br)ccc4n3)C2)CC1 ZINC000639757318 717598841 /nfs/dbraw/zinc/59/88/41/717598841.db2.gz FXOSAAVAHDQGAY-UHFFFAOYSA-N 2 0 363.303 3.015 20 0 FGADRP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]C[C@@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000644583856 718128569 /nfs/dbraw/zinc/12/85/69/718128569.db2.gz ZIAQIMLUHZQALW-RBSFLKMASA-N 2 0 361.313 3.196 20 0 FGADRP CCCN(C(=O)NC[C@@H](c1ccsc1)[NH+](CC)CC)[C@H]1CC[N@H+](C)C1 ZINC000645159433 718188204 /nfs/dbraw/zinc/18/82/04/718188204.db2.gz ALONTSRWORKSLT-ROUUACIJSA-N 2 0 366.575 3.257 20 0 FGADRP C[NH+]1CCC(N2CC[C@H]([NH2+][C@H](Cc3ccccc3Cl)C3CC3)C2)CC1 ZINC000645409082 718208530 /nfs/dbraw/zinc/20/85/30/718208530.db2.gz VSFHYKXCELOVJZ-GHTZIAJQSA-N 2 0 361.961 3.419 20 0 FGADRP C[NH+](C)CCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)C[C@H]1CC[NH2+]C1 ZINC000645746520 718238863 /nfs/dbraw/zinc/23/88/63/718238863.db2.gz SYFRATNBQDWWNV-CQSZACIVSA-N 2 0 372.340 3.273 20 0 FGADRP Clc1ccccc1Cn1cc(C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cn1 ZINC000647546151 718366912 /nfs/dbraw/zinc/36/69/12/718366912.db2.gz BDNIGOVAVBWWCL-ZWKOTPCHSA-N 2 0 358.917 3.406 20 0 FGADRP CSc1ccccc1NC(=O)[C@H](C)[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647975865 718391086 /nfs/dbraw/zinc/39/10/86/718391086.db2.gz HBJYRXWCUVRSIE-ULQDDVLXSA-N 2 0 361.555 3.447 20 0 FGADRP C[C@H](C(=O)NCc1ccc(Cl)cc1)[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647976604 718391431 /nfs/dbraw/zinc/39/14/31/718391431.db2.gz QXJYXPDDNIMLCG-NJAFHUGGSA-N 2 0 363.933 3.056 20 0 FGADRP C[NH+](C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)CCC(C)(C)[NH3+] ZINC000648137276 718401001 /nfs/dbraw/zinc/40/10/01/718401001.db2.gz GWTMOQFWCALKTL-UHFFFAOYSA-N 2 0 359.436 3.113 20 0 FGADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@H+](Cc3ccc(Br)cc3)C2)C1 ZINC000650705469 718716796 /nfs/dbraw/zinc/71/67/96/718716796.db2.gz ICAHVLJCADIVBY-OIISXLGYSA-N 2 0 353.304 3.167 20 0 FGADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2Cc2cc(O)ccc2Br)C1 ZINC000650722940 718720621 /nfs/dbraw/zinc/72/06/21/718720621.db2.gz DZOXIBYHZFNIKC-COXVUDFISA-N 2 0 369.303 3.016 20 0 FGADRP C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]CCC1CC[NH2+]CC1 ZINC000650764488 718725182 /nfs/dbraw/zinc/72/51/82/718725182.db2.gz ZWOHQBGTXHCBJE-CYBMUJFWSA-N 2 0 368.319 3.146 20 0 FGADRP C[NH+](C)CCOc1ccc(C[NH+]2CCC3(CC2)C(F)(F)C3(F)F)cc1 ZINC000651901680 718885664 /nfs/dbraw/zinc/88/56/64/718885664.db2.gz WTPNSNQUDDWEKI-UHFFFAOYSA-N 2 0 360.395 3.493 20 0 FGADRP CC[C@H]([NH2+]C[C@H](C)C[NH+]1CCCC1)c1cc(OC)c(OC)c(OC)c1 ZINC000652140967 718916662 /nfs/dbraw/zinc/91/66/62/718916662.db2.gz AUTOWJQMZFLBTD-RDJZCZTQSA-N 2 0 350.503 3.485 20 0 FGADRP CCCN(C(=O)NCCC[N@H+](CC)C1CCCCC1)C1CC[NH2+]CC1 ZINC000652228101 718924319 /nfs/dbraw/zinc/92/43/19/718924319.db2.gz WJUSNDCOYKLSCJ-UHFFFAOYSA-N 2 0 352.567 3.205 20 0 FGADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@H+](CCOc3ccc(F)cc3Cl)C2)C1 ZINC000652349448 718935321 /nfs/dbraw/zinc/93/53/21/718935321.db2.gz OYGLSVIDZIOCFS-DDUZABMNSA-N 2 0 356.869 3.076 20 0 FGADRP Cc1c(Br)cccc1C[N@@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652350384 718935395 /nfs/dbraw/zinc/93/53/95/718935395.db2.gz WJFFIPBUXLUOPV-XYJFISCASA-N 2 0 367.331 3.476 20 0 FGADRP C[NH2+]C[C@@H]1CCCN1C(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000652613207 718966030 /nfs/dbraw/zinc/96/60/30/718966030.db2.gz NAKKEOGIAKNJDO-KRWDZBQOSA-N 2 0 362.543 3.090 20 0 FGADRP CC1CC[NH+]([C@H](CNC(=O)[C@@H]2CC[C@H](C3CC3)[NH2+]2)c2cccs2)CC1 ZINC000653106292 719012874 /nfs/dbraw/zinc/01/28/74/719012874.db2.gz ZSOINPWIJARCAD-FGTMMUONSA-N 2 0 361.555 3.168 20 0 FGADRP CO[C@H](C[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)C(F)(F)F ZINC000781421350 724563009 /nfs/dbraw/zinc/56/30/09/724563009.db2.gz JBOUXCPAWHIXQX-BSDSXHPESA-N 2 0 356.432 3.454 20 0 FGADRP C[C@@H](C[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000655802190 719342281 /nfs/dbraw/zinc/34/22/81/719342281.db2.gz FAACWHAWLQDNRO-KYHREEPGSA-N 2 0 351.579 3.117 20 0 FGADRP C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655807095 719342433 /nfs/dbraw/zinc/34/24/33/719342433.db2.gz IEJQBBHTHOUJHJ-HEHGZKQESA-N 2 0 368.319 3.096 20 0 FGADRP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@H]1CCc2sc(Br)cc21 ZINC000658110105 719758068 /nfs/dbraw/zinc/75/80/68/719758068.db2.gz ZXDGHYPTLZGWQB-JSGCOSHPSA-N 2 0 374.392 3.360 20 0 FGADRP CO[C@@H](C[NH+]1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1)C1CCCCC1 ZINC000659863305 719947182 /nfs/dbraw/zinc/94/71/82/719947182.db2.gz HSJYSGLWCQLITO-ZVDOUQERSA-N 2 0 351.579 3.072 20 0 FGADRP OC1(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)CCSCC1 ZINC000660010312 719971432 /nfs/dbraw/zinc/97/14/32/719971432.db2.gz IFXCDFGOKVMWAI-VQTJNVASSA-N 2 0 360.567 3.231 20 0 FGADRP FC(F)(F)c1ccccc1[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662281899 720409390 /nfs/dbraw/zinc/40/93/90/720409390.db2.gz MIXHNIMDOVPHLR-KMFMINBZSA-N 2 0 354.416 3.452 20 0 FGADRP FC(F)(F)c1ccccc1[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662281898 720409610 /nfs/dbraw/zinc/40/96/10/720409610.db2.gz MIXHNIMDOVPHLR-JLJPHGGASA-N 2 0 354.416 3.452 20 0 FGADRP CSc1cccc(NC(=O)[C@H](C)[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)c1 ZINC000662290517 720410318 /nfs/dbraw/zinc/41/03/18/720410318.db2.gz FOAYJZNGJLQNOT-RDJZCZTQSA-N 2 0 361.555 3.447 20 0 FGADRP O=C(c1cc2c(s1)CC[NH2+]C2)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000662397562 720425015 /nfs/dbraw/zinc/42/50/15/720425015.db2.gz GRISLJJXZWNSAD-UHFFFAOYSA-N 2 0 361.555 3.122 20 0 FGADRP CC[NH+](CC)CCN(Cc1ccc(Cl)cc1)C(=O)CC1CC[NH2+]CC1 ZINC000662655836 720450123 /nfs/dbraw/zinc/45/01/23/720450123.db2.gz LGEANCQQVRCTNL-UHFFFAOYSA-N 2 0 365.949 3.400 20 0 FGADRP C[NH+](C)[C@H](CNC(=O)c1cccc2c1CC[NH2+]C2)c1ccc(Cl)cc1 ZINC000662753762 720456462 /nfs/dbraw/zinc/45/64/62/720456462.db2.gz VWYFFWQQBCQARG-LJQANCHMSA-N 2 0 357.885 3.018 20 0 FGADRP CC(C)[N@H+]1[C@@H]2CCN(c3cc4[nH]ccc4c[nH+]3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164834898 720515938 /nfs/dbraw/zinc/51/59/38/720515938.db2.gz HXCMWUJKWLKKBC-WSTZPKSXSA-N 2 0 364.497 3.137 20 0 FGADRP Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+]CC[C@@H]([NH3+])C(C)C ZINC000663498711 720519881 /nfs/dbraw/zinc/51/98/81/720519881.db2.gz DNCJTEMRWFUEBH-QGZVFWFLSA-N 2 0 365.319 3.406 20 0 FGADRP C[NH2+]CCCC(=O)N1CCC([NH2+][C@H]2CCCc3c(Cl)cccc32)CC1 ZINC000665287033 720750137 /nfs/dbraw/zinc/75/01/37/720750137.db2.gz AGKXESXBRNOFAW-IBGZPJMESA-N 2 0 363.933 3.298 20 0 FGADRP C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000666857782 720991643 /nfs/dbraw/zinc/99/16/43/720991643.db2.gz JGIDMUVNKMQJTH-CHWSQXEVSA-N 2 0 359.392 3.034 20 0 FGADRP FC(F)Oc1ccc(C[NH2+][C@@H]2CC23CC[NH2+]CC3)cc1Br ZINC000666952118 721004826 /nfs/dbraw/zinc/00/48/26/721004826.db2.gz GNHIKUNRDYWACC-CYBMUJFWSA-N 2 0 361.230 3.282 20 0 FGADRP CSc1cc(Cl)ccc1NC(=O)NCCN(C)CCC[NH+](C)C ZINC000667373847 721086966 /nfs/dbraw/zinc/08/69/66/721086966.db2.gz BULUXHAGNODFAV-UHFFFAOYSA-N 2 0 358.939 3.067 20 0 FGADRP CC(C)[NH2+][C@H]1CCCN(C(=O)NC[C@@H](c2ccc(Cl)cc2)[NH+](C)C)C1 ZINC000673781515 721672376 /nfs/dbraw/zinc/67/23/76/721672376.db2.gz XSTSSDQERBMSEX-ROUUACIJSA-N 2 0 366.937 3.115 20 0 FGADRP C[NH+](C)Cc1ccsc1C(=O)N1CC[C@@H]([N@H+](C)Cc2ccccc2)C1 ZINC000674881028 721718611 /nfs/dbraw/zinc/71/86/11/721718611.db2.gz XFXCYILYMSKYRT-GOSISDBHSA-N 2 0 357.523 3.156 20 0 FGADRP C[NH+](C)CCN(CC[NH+](C)C)Cc1cc(Br)ccc1Cl ZINC000685457082 722385636 /nfs/dbraw/zinc/38/56/36/722385636.db2.gz KPUNFPCWJQGMEW-UHFFFAOYSA-N 2 0 362.743 3.028 20 0 FGADRP COc1ccc([C@@H]([NH2+]CCOCC[NH+](C)C)C(C)C)c(Br)c1 ZINC000685654975 722397203 /nfs/dbraw/zinc/39/72/03/722397203.db2.gz RNAGDLCKDURGCI-KRWDZBQOSA-N 2 0 373.335 3.323 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+][C@H]1CCO[C@H](C(F)(F)F)C1 ZINC000708529237 722412890 /nfs/dbraw/zinc/41/28/90/722412890.db2.gz JPFFHGDJQJFVLQ-UBDQQSCGSA-N 2 0 356.432 3.454 20 0 FGADRP CC(C)[C@@H](C)[N@@H+]1Cc2ccc(NC(=S)NC3CC[NH+](C)CC3)cc2C1 ZINC000726496570 722435649 /nfs/dbraw/zinc/43/56/49/722435649.db2.gz ZIQYEICITHCGLR-OAHLLOKOSA-N 2 0 360.571 3.427 20 0 FGADRP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC[C@@H](C)[NH+]2CCCCC2)C1 ZINC000732448578 722484887 /nfs/dbraw/zinc/48/48/87/722484887.db2.gz GUHMTNYLRSQEHF-MSOLQXFVSA-N 2 0 352.567 3.061 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=S)NCC(C)(C)C[NH+](C)C)C1 ZINC000733753326 722500574 /nfs/dbraw/zinc/50/05/74/722500574.db2.gz KNPSNQFALQEVMJ-MSOLQXFVSA-N 2 0 368.635 3.035 20 0 FGADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H](O)Cc2ccc(C(F)(F)F)cc2)[C@@H](C)C1 ZINC000749347365 722725518 /nfs/dbraw/zinc/72/55/18/722725518.db2.gz WLGJOOYLFONFRS-QGTPRVQTSA-N 2 0 358.448 3.271 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=S)Nc1cc(C)ccc1C ZINC000751010094 722790678 /nfs/dbraw/zinc/79/06/78/722790678.db2.gz HIICKXZYHIYGQT-GOSISDBHSA-N 2 0 362.587 3.348 20 0 FGADRP CC[NH+](CC)CCOCC[NH2+]Cc1sc2nc(C)nc(C)c2c1C ZINC000757941452 722981686 /nfs/dbraw/zinc/98/16/86/722981686.db2.gz BTTDIKSFGITFIW-UHFFFAOYSA-N 2 0 350.532 3.065 20 0 FGADRP C[C@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)c1cc(Cl)c(N)c(Cl)c1 ZINC000760160967 723040555 /nfs/dbraw/zinc/04/05/55/723040555.db2.gz VAZBYNLYKYMLAH-JSGCOSHPSA-N 2 0 371.356 3.395 20 0 FGADRP CC[N@@H+]1CC[C@H]([NH2+]CCC2=CCN(C(=O)OC(C)(C)C)CC2)[C@@H](C)C1 ZINC000793330603 723425742 /nfs/dbraw/zinc/42/57/42/723425742.db2.gz JWKGZRVEADMBNL-WMZOPIPTSA-N 2 0 351.535 3.264 20 0 FGADRP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1ccc(SC(F)F)cc1 ZINC000765798467 723541812 /nfs/dbraw/zinc/54/18/12/723541812.db2.gz SBRBOWCGLSKDOW-DZGCQCFKSA-N 2 0 371.497 3.239 20 0 FGADRP COc1c(C)cc([C@H](C)[NH2+]C2CCN(CC[NH+](C)C)CC2)cc1Cl ZINC000796697058 723650687 /nfs/dbraw/zinc/65/06/87/723650687.db2.gz UDXYETZVWZNKLC-HNNXBMFYSA-N 2 0 353.938 3.334 20 0 FGADRP C[N@@H+]1CC[C@H]([NH2+]CC2CCN(C(=O)OC(C)(C)C)CC2)[C@@H]2CCC[C@@H]21 ZINC000796739062 723652731 /nfs/dbraw/zinc/65/27/31/723652731.db2.gz PEOUUDRNYCNZDG-BZSNNMDCSA-N 2 0 351.535 3.096 20 0 FGADRP C[N@@H+](Cc1ccccc1I)CC1CC[NH+](C)CC1 ZINC000769330940 723682625 /nfs/dbraw/zinc/68/26/25/723682625.db2.gz SGAVLAUEZHDJSX-UHFFFAOYSA-N 2 0 358.267 3.065 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CNC(=S)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000769556338 723689697 /nfs/dbraw/zinc/68/96/97/723689697.db2.gz ZLLJIFZWOVAPDP-IBGZPJMESA-N 2 0 360.571 3.096 20 0 FGADRP C[C@@H]([NH2+]CCCN(C)C(=O)OC(C)(C)C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000797981648 723894726 /nfs/dbraw/zinc/89/47/26/723894726.db2.gz SDEZEVVVBYUREZ-IAGOWNOFSA-N 2 0 353.551 3.486 20 0 FGADRP CC[NH+](CC)Cc1cc([C@@H](C)[NH2+]CC2([S@](C)=O)CCC2)ccc1OC ZINC000798004151 723897665 /nfs/dbraw/zinc/89/76/65/723897665.db2.gz KMTHVGWAPXJEHI-CPJLOUKISA-N 2 0 366.571 3.489 20 0 FGADRP Cc1cc(Br)cc(C[NH2+][C@@H]2CCN(C3CC[NH+](C)CC3)C2)c1 ZINC000774991692 723948907 /nfs/dbraw/zinc/94/89/07/723948907.db2.gz IZJKSTBTWAYTLB-QGZVFWFLSA-N 2 0 366.347 3.016 20 0 FGADRP CC(C)(C)OC(=O)N1CC[C@@](C)(C[NH2+]CC2CC[NH+](C3CC3)CC2)C1 ZINC000798953375 723978799 /nfs/dbraw/zinc/97/87/99/723978799.db2.gz GCWSHDSWKCRMEP-FQEVSTJZSA-N 2 0 351.535 3.098 20 0 FGADRP COC(=O)c1ccc(Cl)c(C[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)c1 ZINC000798956740 723979432 /nfs/dbraw/zinc/97/94/32/723979432.db2.gz MAUOPWADXXHXFV-UHFFFAOYSA-N 2 0 350.890 3.434 20 0 FGADRP C[C@H](NC(=O)C[N@@H+]1CCCC2(CC[NH+](C)CC2)C1)c1ccc(Cl)cc1 ZINC000799178338 723995267 /nfs/dbraw/zinc/99/52/67/723995267.db2.gz UHEQMLUDHFQOAW-INIZCTEOSA-N 2 0 363.933 3.325 20 0 FGADRP C[C@@H](C(=O)NCc1ccccc1Cl)[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000799178911 723995580 /nfs/dbraw/zinc/99/55/80/723995580.db2.gz QRSAKSSPIVSJNV-INIZCTEOSA-N 2 0 363.933 3.153 20 0 FGADRP Cn1ncc(Br)c1C[NH2+]CCCCCCC[NH+]1CCCC1 ZINC000785455300 724913724 /nfs/dbraw/zinc/91/37/24/724913724.db2.gz GJWKNLSEBPNFGY-UHFFFAOYSA-N 2 0 357.340 3.319 20 0 FGADRP CCCN(CCC[NH+](C)C)C(=O)NC1CCC([NH+]2CCCCC2)CC1 ZINC000786784898 724999604 /nfs/dbraw/zinc/99/96/04/724999604.db2.gz GIEXWIHOHJSVJQ-UHFFFAOYSA-N 2 0 352.567 3.157 20 0 FGADRP CC[N@@H+](CC(=O)Nc1ccccc1C(F)(F)F)CC1CC[NH+](C)CC1 ZINC000788467899 725065974 /nfs/dbraw/zinc/06/59/74/725065974.db2.gz AWBCVNFSHIOSOD-UHFFFAOYSA-N 2 0 357.420 3.308 20 0 FGADRP C[C@@H](C[NH2+]C1CC2(C1)CN(C(=O)OC(C)(C)C)C2)N1CCC(C)CC1 ZINC000788570265 725073213 /nfs/dbraw/zinc/07/32/13/725073213.db2.gz JBOJYBQHFYEXCW-INIZCTEOSA-N 2 0 351.535 3.096 20 0 FGADRP C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1[NH2+]CCC1CC[NH+](C)CC1 ZINC000788596656 725074716 /nfs/dbraw/zinc/07/47/16/725074716.db2.gz ZPCHKVMJDWMGNW-AEFFLSMTSA-N 2 0 353.551 3.344 20 0 FGADRP CC(C)(C)OC(=O)NC1CC([NH2+]C2CC[NH+](C3CCCCC3)CC2)C1 ZINC000809625493 725253345 /nfs/dbraw/zinc/25/33/45/725253345.db2.gz IDUDJVAUODHNBM-UHFFFAOYSA-N 2 0 351.535 3.429 20 0 FGADRP CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)C1 ZINC000809950997 725277856 /nfs/dbraw/zinc/27/78/56/725277856.db2.gz UWIILXFKNBFMTJ-BEFAXECRSA-N 2 0 367.534 3.214 20 0 FGADRP C[N@H+](CCOC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1)Cc1ccc(F)cc1 ZINC000811448561 725365851 /nfs/dbraw/zinc/36/58/51/725365851.db2.gz XFHKKXWIRHWDRN-IBGZPJMESA-N 2 0 354.441 3.013 20 0 FGADRP CC(C)C[C@H](C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1)NC(=O)OC(C)(C)C ZINC000811468102 725367664 /nfs/dbraw/zinc/36/76/64/725367664.db2.gz ZSXNXBLDQPHHGY-KURKYZTESA-N 2 0 353.551 3.342 20 0 FGADRP CC[NH+]1CCC(C[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)CC[C@@H]2C)CC1 ZINC000812718880 726806638 /nfs/dbraw/zinc/80/66/38/726806638.db2.gz PMAOLMVIKNYVQL-WMZOPIPTSA-N 2 0 353.551 3.344 20 0 FGADRP C[C@H]1C[C@@H]1C[NH2+]C1CCC([NH+]2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000812801098 726813230 /nfs/dbraw/zinc/81/32/30/726813230.db2.gz DBJSKULCBPGEKH-KNXWPPODSA-N 2 0 351.535 3.096 20 0 FGADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C[C@H](O)c1cc(Cl)c2c(c1)OCCO2 ZINC000817896720 727287121 /nfs/dbraw/zinc/28/71/21/727287121.db2.gz QJBXPNLMGLCFDQ-UNEWFSDZSA-N 2 0 368.905 3.045 20 0 FGADRP CC[C@H]([NH2+][C@H]1CC[NH2+]C2(CCC2)C1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000817984966 727290637 /nfs/dbraw/zinc/29/06/37/727290637.db2.gz CZGWREFSBOZEET-YESZJQIVSA-N 2 0 351.535 3.429 20 0 FGADRP C[C@H](C[NH2+]C[C@H](O)c1ccc(OC(F)(F)F)cc1)C[NH+]1CCCCC1 ZINC000818968984 727331907 /nfs/dbraw/zinc/33/19/07/727331907.db2.gz IGPMLOYJXDQNEH-PBHICJAKSA-N 2 0 360.420 3.330 20 0 FGADRP C[C@@H]1CC[C@H]([NH2+]C2CC[NH+](C3CCC3)CC2)CN1C(=O)OC(C)(C)C ZINC000822451640 729176484 /nfs/dbraw/zinc/17/64/84/729176484.db2.gz NMAUHSNACKHSJF-WBVHZDCISA-N 2 0 351.535 3.381 20 0 FGADRP C[C@@H]1CC[C@@H]([NH2+]C2CC[NH+](CC3CC3)CC2)CN1C(=O)OC(C)(C)C ZINC000822451873 729176511 /nfs/dbraw/zinc/17/65/11/729176511.db2.gz RHZUYCRGODZUTL-CRAIPNDOSA-N 2 0 351.535 3.238 20 0 FGADRP CC(C)[C@H](CNC(=O)OC(C)(C)C)C[N@@H+]1CCC[C@H](c2ncc[nH]2)C1 ZINC000823413908 729277937 /nfs/dbraw/zinc/27/79/37/729277937.db2.gz OAKHEWWDJPQBBO-JKSUJKDBSA-N 2 0 350.507 3.386 20 0 FGADRP C[C@@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000823649874 729295987 /nfs/dbraw/zinc/29/59/87/729295987.db2.gz VKWQSULGWNEMGD-JFIYKMOQSA-N 2 0 351.535 3.238 20 0 FGADRP C[NH+](C)CCOc1ccc(CC[NH2+]Cc2ccnc(Cl)c2F)cc1 ZINC000823807581 729306139 /nfs/dbraw/zinc/30/61/39/729306139.db2.gz DMIPYXITEGFWFG-UHFFFAOYSA-N 2 0 351.853 3.147 20 0 FGADRP CC(C)[C@@H](CNC(=O)OC(C)(C)C)C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000824439676 729338430 /nfs/dbraw/zinc/33/84/30/729338430.db2.gz PRPVXSFMTGZPIJ-PXNSSMCTSA-N 2 0 353.551 3.201 20 0 FGADRP Cc1cc([C@H]([NH3+])CC(=O)NCC(C)(C)[N@@H+]2CCC[C@H](C)C2)cc(Cl)n1 ZINC000827574114 729431970 /nfs/dbraw/zinc/43/19/70/729431970.db2.gz YAZLRDCONWFZEG-XJKSGUPXSA-N 2 0 366.937 3.060 20 0 FGADRP CC1CC[NH+]([C@@H](CNC(=O)NCCCCCC[NH3+])c2cccs2)CC1 ZINC000831094921 729617267 /nfs/dbraw/zinc/61/72/67/729617267.db2.gz QWXOYGMVWRPPBT-KRWDZBQOSA-N 2 0 366.575 3.339 20 0 FGADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)[C@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000834566639 729815123 /nfs/dbraw/zinc/81/51/23/729815123.db2.gz PTLVZAFTUVTONT-OKZBNKHCSA-N 2 0 353.551 3.484 20 0 FGADRP C[C@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1[NH2+]CCCC[N@H+](C)C1CC1 ZINC000834909770 729845578 /nfs/dbraw/zinc/84/55/78/729845578.db2.gz UFOCRGYOCFXXDZ-FUHWJXTLSA-N 2 0 353.551 3.486 20 0 FGADRP COC(=O)c1ccc(C[NH2+]C(C)(C)CCC[NH+](C)C)cc1Br ZINC000877568493 736685929 /nfs/dbraw/zinc/68/59/29/736685929.db2.gz PGKSRCJFJSMJPM-UHFFFAOYSA-N 2 0 371.319 3.446 20 0 FGADRP C[N@@H+]1CCC[C@H](CC[NH2+][C@@H]2CCCC[C@H]2CNC(=O)OC(C)(C)C)C1 ZINC000840810933 730177624 /nfs/dbraw/zinc/17/76/24/730177624.db2.gz WQCOSOPLNOKHIT-FGTMMUONSA-N 2 0 353.551 3.391 20 0 FGADRP [NH3+]Cc1cn([C@@H]2CCC[N@H+](Cc3ccc(SC(F)(F)F)cc3)C2)nn1 ZINC000841100436 730211435 /nfs/dbraw/zinc/21/14/35/730211435.db2.gz YGLKKIXDLWFMAS-CQSZACIVSA-N 2 0 371.432 3.186 20 0 FGADRP CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@H]([NH2+]C3CCC(C[NH3+])CC3)C[C@@H]2C1 ZINC000841102585 730211768 /nfs/dbraw/zinc/21/17/68/730211768.db2.gz FMNRZRJPRSJOJP-USFGWYQBSA-N 2 0 351.535 3.129 20 0 FGADRP C[C@@H](C(=O)Nc1ccc(C(F)(F)F)cc1)[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000843363877 730610927 /nfs/dbraw/zinc/61/09/27/730610927.db2.gz HAWQMOGKNJKVSW-ZDUSSCGKSA-N 2 0 355.404 3.108 20 0 FGADRP O=C(CC[N@@H+]1CCC2(C1)CC[NH2+]CC2)Nc1c(Cl)cccc1Cl ZINC000843364236 730610942 /nfs/dbraw/zinc/61/09/42/730610942.db2.gz VNIQIPJBAGJSNR-UHFFFAOYSA-N 2 0 356.297 3.398 20 0 FGADRP C[C@@H](C(=O)Nc1ccccc1C(F)(F)F)[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000843363812 730611131 /nfs/dbraw/zinc/61/11/31/730611131.db2.gz BHXLHXUCRKDZRI-ZDUSSCGKSA-N 2 0 355.404 3.108 20 0 FGADRP C[N@@H+]1CCC[C@H](CNC(=[NH2+])NC2CC2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000849079415 731226767 /nfs/dbraw/zinc/22/67/67/731226767.db2.gz NISZKFBCUFVTSE-CJNGLKHVSA-N 2 0 354.420 3.365 20 0 FGADRP CC(C)C[N@@H+]1CC[C@@H](CNC(=[NH2+])NCc2cccc(C(F)(F)F)c2)C1 ZINC000849087451 731227504 /nfs/dbraw/zinc/22/75/04/731227504.db2.gz NKTIQQRZOYGVTR-HNNXBMFYSA-N 2 0 356.436 3.297 20 0 FGADRP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+][C@H]3CCC[C@H](C(F)(F)F)C3)cc2)C1 ZINC000850357642 731348023 /nfs/dbraw/zinc/34/80/23/731348023.db2.gz QJBAGPAXARHCPZ-OKZBNKHCSA-N 2 0 356.432 3.464 20 0 FGADRP c1cc(C[NH+]2CCC(C[NH2+][C@@H]3CC[C@H]4SCCS[C@H]34)CC2)ccn1 ZINC000850516654 731367409 /nfs/dbraw/zinc/36/74/09/731367409.db2.gz IHXJMHZRGGTOBB-GUDVDZBRSA-N 2 0 363.596 3.263 20 0 FGADRP C[N@@H+]1CC[C@H]([NH2+]CC2(NC(=O)OC(C)(C)C)CCCC2)[C@@H]2CCC[C@@H]21 ZINC000850522654 731368875 /nfs/dbraw/zinc/36/88/75/731368875.db2.gz KOEBJQOQOCXUNU-ULQDDVLXSA-N 2 0 351.535 3.286 20 0 FGADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@]12OCCC[C@H]1C2(F)F ZINC000850534302 731370127 /nfs/dbraw/zinc/37/01/27/731370127.db2.gz LJASAKXJZBJTKH-KANFNMMFSA-N 2 0 350.453 3.301 20 0 FGADRP C[NH+](C)C1CCC([NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)C23CCC3)CC1 ZINC000858478142 732219023 /nfs/dbraw/zinc/21/90/23/732219023.db2.gz WCFHKBLFPFOGFO-OFLPRAFFSA-N 2 0 351.535 3.381 20 0 FGADRP C[NH+](CC[Si](C)(C)CC[N@@H+](C)CC1=CCCOC1)CC1=CCCOC1 ZINC000859351421 732315652 /nfs/dbraw/zinc/31/56/52/732315652.db2.gz GZMJFPONSLIKBM-UHFFFAOYSA-N 2 0 366.622 3.252 20 0 FGADRP C[NH+](C)C[C@@H]1CN(c2nc(-c3ccc(F)cc3)cs2)C[C@H]1C[NH+](C)C ZINC000866012511 733300792 /nfs/dbraw/zinc/30/07/92/733300792.db2.gz FQDNOXPTSABBFB-HZPDHXFCSA-N 2 0 362.518 3.125 20 0 FGADRP CC(C)[NH+]1CCC(CC[NH2+][C@@H](C)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC000866468072 733354192 /nfs/dbraw/zinc/35/41/92/733354192.db2.gz ZWPCNFZDIOPDSV-INIZCTEOSA-N 2 0 352.544 3.251 20 0 FGADRP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)NC1CCC(C)([NH+](C)C)CC1 ZINC000868103238 733556444 /nfs/dbraw/zinc/55/64/44/733556444.db2.gz QCQAHUMUAJIUFZ-ZJRDLVKKSA-N 2 0 352.567 3.203 20 0 FGADRP CC(C)[NH+]1CCC(CCNC(=O)NC2CC[NH+](C(C)(C)C)CC2)CC1 ZINC000868124249 733559213 /nfs/dbraw/zinc/55/92/13/733559213.db2.gz RJIUFXHCILOSCC-UHFFFAOYSA-N 2 0 352.567 3.059 20 0 FGADRP O=C(Nc1cccc(-n2ccnc2)c1)c1csc(C2CC[NH2+]CC2)n1 ZINC000870919720 733902103 /nfs/dbraw/zinc/90/21/03/733902103.db2.gz FKPLWUKRMTVHSV-UHFFFAOYSA-N 2 0 353.451 3.048 20 0 FGADRP C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+][C@@H](C)C1CC[NH2+]CC1 ZINC000873222558 735739647 /nfs/dbraw/zinc/73/96/47/735739647.db2.gz ZRGXVJUGVDPSCI-OLZOCXBDSA-N 2 0 357.420 3.400 20 0 FGADRP CC[NH+](CC)CCC[C@H](C)NC(=O)[C@@H]([NH3+])c1cccc(C(F)(F)F)c1 ZINC000876708037 736135048 /nfs/dbraw/zinc/13/50/48/736135048.db2.gz FWIKEYXRZDGPMO-BBRMVZONSA-N 2 0 359.436 3.332 20 0 FGADRP CCCC[N@H+](C)CC1CC[NH+](C[C@H]2CCC3(CCOCC3)CO2)CC1 ZINC000877976913 736751441 /nfs/dbraw/zinc/75/14/41/736751441.db2.gz RPWCLCWCNVYYQY-HXUWFJFHSA-N 2 0 352.563 3.406 20 0 FGADRP CC(C)[NH+]1CCN(CCC[NH2+][C@H](C)c2ccc(C(F)(F)F)nc2)CC1 ZINC000880098083 737119106 /nfs/dbraw/zinc/11/91/06/737119106.db2.gz GUFYKOIEQZPQSQ-OAHLLOKOSA-N 2 0 358.452 3.167 20 0 FGADRP C(=C\C[N@@H+]1CC[C@@H](c2nccs2)C1)\C[NH+]1CC[C@H](c2nccs2)C1 ZINC000880319181 737154677 /nfs/dbraw/zinc/15/46/77/737154677.db2.gz CCPUHYXATKEPEP-QZLXFXEDSA-N 2 0 360.552 3.435 20 0 FGADRP CC(C)[N@H+](C)CC1CC[NH+](C[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC000891745030 739933453 /nfs/dbraw/zinc/93/34/53/739933453.db2.gz DSQNBQKFMGVVFE-HDICACEKSA-N 2 0 353.551 3.342 20 0 FGADRP C[NH+]1CCC(C[NH2+]C[C@H]2CCN(c3ccc(Br)cc3)C2)CC1 ZINC000892662297 740028644 /nfs/dbraw/zinc/02/86/44/740028644.db2.gz HVTHPXHXFIIPAB-MRXNPFEDSA-N 2 0 366.347 3.207 20 0 FGADRP CCC1([NH3+])CCN(C(=O)N2CCC(CC)([NH+]3CCCCC3)CC2)CC1 ZINC000892934599 740060208 /nfs/dbraw/zinc/06/02/08/740060208.db2.gz JMMCJMWSDVQDFI-UHFFFAOYSA-N 2 0 350.551 3.040 20 0 FGADRP COc1cc(C[N@H+](C)C[C@H]2CC3(CO2)CC[NH2+]CC3)ccc1SC ZINC000903726204 743879436 /nfs/dbraw/zinc/87/94/36/743879436.db2.gz KPSZBMOJHQWYEQ-MRXNPFEDSA-N 2 0 350.528 3.008 20 0 FGADRP Fc1cccc(C2CC[NH+](C[C@H]3CC4(CO3)CC[NH2+]CC4)CC2)c1F ZINC000903763224 743881515 /nfs/dbraw/zinc/88/15/15/743881515.db2.gz ISTKHYDLMRLRKA-MRXNPFEDSA-N 2 0 350.453 3.303 20 0 FGADRP C[C@@H](C(=O)N1CCC[C@@H]1c1cccs1)[NH+]1CCC(C(C)(C)C[NH3+])CC1 ZINC000903790657 743884395 /nfs/dbraw/zinc/88/43/95/743884395.db2.gz ULFLIFSJDLHKGG-DOTOQJQBSA-N 2 0 363.571 3.497 20 0 FGADRP FC(F)(F)c1ccnc([C@@H]2CC[N@H+](CCC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)n1 ZINC000903827847 743886843 /nfs/dbraw/zinc/88/68/43/743886843.db2.gz YRQASJYZJCTQKR-NUDNTCICSA-N 2 0 354.420 3.205 20 0 FGADRP Clc1cccc(C2CC[NH+](Cc3cnnn3[C@@H]3CCC[NH2+]C3)CC2)c1 ZINC000903909606 743895897 /nfs/dbraw/zinc/89/58/97/743895897.db2.gz GIYAZMZSTQPURG-GOSISDBHSA-N 2 0 359.905 3.236 20 0 FGADRP O[C@@H](c1cc(F)ccc1F)C1CC[NH+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000903930134 743900374 /nfs/dbraw/zinc/90/03/74/743900374.db2.gz STJLEEZNILNYJC-XDQHQWTQSA-N 2 0 350.453 3.241 20 0 FGADRP CC(C)(C)OC(=O)N1CCC[C@H]([C@H]2CCCC[N@@H+]2C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904371865 743950018 /nfs/dbraw/zinc/95/00/18/743950018.db2.gz VGFVTFVBZAKLEX-WNRNVDISSA-N 2 0 351.535 3.225 20 0 FGADRP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CC[NH+](Cc3ccsc3)CC2(C)C)CC[N@@H+]1C ZINC000940757148 762159898 /nfs/dbraw/zinc/15/98/98/762159898.db2.gz TUUHWZAQFWQOPT-RCCFBDPRSA-N 2 0 363.571 3.195 20 0 FGADRP CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1ccc(Br)cc1)C2 ZINC000922388383 758910035 /nfs/dbraw/zinc/91/00/35/758910035.db2.gz PLGQKSVZMGDBQC-BDXSIMOUSA-N 2 0 367.331 3.018 20 0 FGADRP CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]Cc3nc(C(C)(C)C)cs3)C2)[C@@H]1C(C)C ZINC000922391831 758911230 /nfs/dbraw/zinc/91/12/30/758911230.db2.gz ACUAGDYWBZRLIF-DZJHOTPTSA-N 2 0 365.587 3.400 20 0 FGADRP CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]Cc3cnc(Cl)c(C)c3)C2)[C@@H]1C(C)C ZINC000922393605 758912516 /nfs/dbraw/zinc/91/25/16/758912516.db2.gz MLGTYMRYLFNWBA-VXIBKDFQSA-N 2 0 351.922 3.003 20 0 FGADRP C[C@@H]1C[N@H+](Cc2nc(-c3cccc(C(F)(F)F)c3)no2)CC[C@@H]1C[NH3+] ZINC000923496372 759132133 /nfs/dbraw/zinc/13/21/33/759132133.db2.gz BPBWOQLDKYCFLX-DGCLKSJQSA-N 2 0 354.376 3.172 20 0 FGADRP CCc1nc(CN2CCC(C[NH2+][C@@H]3C[C@H]([NH3+])CC(C)(C)C3)CC2)cs1 ZINC000925573943 759507293 /nfs/dbraw/zinc/50/72/93/759507293.db2.gz QTVKYGCRFGHCPE-DLBZAZTESA-N 2 0 364.603 3.413 20 0 FGADRP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@@H]2CCN(c3ccc(Br)cc3)C2)C12CCC2 ZINC000925586573 759510402 /nfs/dbraw/zinc/51/04/02/759510402.db2.gz VFZJTSRAEQLTNK-IAOVAPTHSA-N 2 0 364.331 3.135 20 0 FGADRP C(C[C@H]1CCC2(CCOCC2)CO1)[NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925774399 759534502 /nfs/dbraw/zinc/53/45/02/759534502.db2.gz VEBQZFURCAYWFI-AABGKKOBSA-N 2 0 350.547 3.110 20 0 FGADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]Cc1cc(Br)c2ccccc2c1 ZINC000925807481 759546268 /nfs/dbraw/zinc/54/62/68/759546268.db2.gz VGYSPYCNVPLRSA-BJOOFOGMSA-N 2 0 363.299 3.444 20 0 FGADRP Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)[NH2+]CCN1CCC([NH3+])CC1 ZINC000925809970 759547523 /nfs/dbraw/zinc/54/75/23/759547523.db2.gz LXCUZDLXMMHYFP-ZDUSSCGKSA-N 2 0 362.518 3.331 20 0 FGADRP [NH3+]C1CCN(CC[NH2+][C@@H]2CCC[C@@H]2c2cccc(C(F)(F)F)c2)CC1 ZINC000925816926 759550926 /nfs/dbraw/zinc/55/09/26/759550926.db2.gz LSIGILVUDCLTNE-QZTJIDSGSA-N 2 0 355.448 3.354 20 0 FGADRP Cc1cc2c(cc1C)[C@H]([NH2+]C[C@@H]1CC3(CC[NH2+]CC3)C(=O)O1)CCS2 ZINC000925848690 759557279 /nfs/dbraw/zinc/55/72/79/759557279.db2.gz CZFJCBOSCDWEKS-DOTOQJQBSA-N 2 0 360.523 3.115 20 0 FGADRP C[C@H]([NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1cccc(Cl)c1Cl ZINC000925856000 759560439 /nfs/dbraw/zinc/56/04/39/759560439.db2.gz RCGFLSBMWCLALU-RYUDHWBXSA-N 2 0 357.281 3.329 20 0 FGADRP CC[C@@H]([NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1cc(Cl)ccc1OC ZINC000925857301 759561511 /nfs/dbraw/zinc/56/15/11/759561511.db2.gz ZKAOMRUMUDPKCL-GOEBONIOSA-N 2 0 366.889 3.075 20 0 FGADRP C[C@H]([NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ccc(Cl)cc1Cl ZINC000925857197 759561647 /nfs/dbraw/zinc/56/16/47/759561647.db2.gz SEFWSZMNYCQNTF-AAEUAGOBSA-N 2 0 357.281 3.329 20 0 FGADRP C[C@@H]([NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1cc2cc(Cl)ccc2o1 ZINC000925857550 759561668 /nfs/dbraw/zinc/56/16/68/759561668.db2.gz PNRZWJBFUWWLGX-DOMZBBRYSA-N 2 0 362.857 3.422 20 0 FGADRP CC(C)(C)OC(=O)NCC1CC([NH2+]CC2CC[NH+](CC3CC3)CC2)C1 ZINC000926731964 759811296 /nfs/dbraw/zinc/81/12/96/759811296.db2.gz NNCLRYXGJDAAGY-UHFFFAOYSA-N 2 0 351.535 3.001 20 0 FGADRP C[C@@H]1[C@H](C(=O)N2CC[C@@H]([NH2+]Cc3cc(Cl)cc(Cl)c3)C2)CC[N@@H+]1C ZINC000968728312 762841454 /nfs/dbraw/zinc/84/14/54/762841454.db2.gz IAZXFWXKZRYCDH-CSMYWGQOSA-N 2 0 370.324 3.024 20 0 FGADRP C[C@@H]1[C@H](C(=O)N2C[C@@H]([NH2+]Cc3cccc(Cl)c3)C(C)(C)C2)CC[N@@H+]1C ZINC000995825024 764970595 /nfs/dbraw/zinc/97/05/95/764970595.db2.gz MKJMDXTWRCNQBD-ZTFGCOKTSA-N 2 0 363.933 3.007 20 0 FGADRP CC[C@@H]1[C@@H](C(=O)NCC2CC[NH+](Cc3csc(C)c3)CC2)CC[N@@H+]1C ZINC001001423549 765286968 /nfs/dbraw/zinc/28/69/68/765286968.db2.gz CXTYUPBNAKOPPE-RBUKOAKNSA-N 2 0 363.571 3.115 20 0 FGADRP CC[C@@H]1[C@@H](C(=O)N2CCC([C@H]3CCC[NH+]3C/C=C\Cl)CC2)CC[N@@H+]1C ZINC001004453921 765432668 /nfs/dbraw/zinc/43/26/68/765432668.db2.gz XUKPNMZULFGHTI-AXMKMONVSA-N 2 0 367.965 3.172 20 0 FGADRP CC[C@H]([NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1)c1ccc(Cl)cc1 ZINC001020171997 765866405 /nfs/dbraw/zinc/86/64/05/765866405.db2.gz HYDVALXSNCMSPH-PYJZQUQOSA-N 2 0 363.933 3.368 20 0 FGADRP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc(Cl)cc3Cl)C2)CC[N@@H+]1C ZINC001022104104 765974148 /nfs/dbraw/zinc/97/41/48/765974148.db2.gz VQDSRSDLDAPGBB-BQDHKBFISA-N 2 0 370.324 3.070 20 0 FGADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+][C@H](C)c3ccccc3Cl)C2)CC[N@@H+]1C ZINC001022106059 765974369 /nfs/dbraw/zinc/97/43/69/765974369.db2.gz DTWWDKBMTHIKEX-DHBZOUTCSA-N 2 0 363.933 3.368 20 0 FGADRP Cc1cc(C[NH+](C)[C@@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)c(C)s1 ZINC001027416241 766092484 /nfs/dbraw/zinc/09/24/84/766092484.db2.gz CGZKJZUDNADTFJ-ATZDWAIDSA-N 2 0 363.571 3.128 20 0 FGADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[C@H]([NH2+]Cc3csc(C)c3)CC2)CC[N@@H+]1C ZINC001034649353 766243296 /nfs/dbraw/zinc/24/32/96/766243296.db2.gz GPGOYEDXXPMADM-CADBVGFASA-N 2 0 363.571 3.304 20 0 FGADRP Cc1ccc([C@H](CNC(=O)NCCC[N@H+]2CCCC[C@@H]2C)[NH+](C)C)cc1 ZINC000072041961 221399065 /nfs/dbraw/zinc/39/90/65/221399065.db2.gz WEHOWYIRNVFVBS-ICSRJNTNSA-N 2 0 360.546 3.161 20 0 FGADRP Cn1c2ccc(C(F)(F)F)cc2nc1C[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000567898801 505570973 /nfs/dbraw/zinc/57/09/73/505570973.db2.gz BPCCRYQEKQEUOI-UONOGXRCSA-N 2 0 366.431 3.414 20 0 FGADRP C/C(=C\c1cccc(C(F)(F)F)c1)C[NH2+][C@H](C)CN1CC[NH+](C)CC1 ZINC000573594448 505574518 /nfs/dbraw/zinc/57/45/18/505574518.db2.gz DBKWOYQIWSXKDJ-RBFDBLARSA-N 2 0 355.448 3.334 20 0 FGADRP Cc1nc(COc2ccc(C[N@H+]3CC[C@@H](C4CC[NH+](C)CC4)C3)cc2)no1 ZINC000568035836 505600564 /nfs/dbraw/zinc/60/05/64/505600564.db2.gz NNPJWZIHFLWHDM-LJQANCHMSA-N 2 0 370.497 3.121 20 0 FGADRP COc1ccc(NC(=O)[C@@H](c2ccccc2)[NH+]2CCC([C@H](C)[NH3+])CC2)cc1 ZINC000570928471 505613639 /nfs/dbraw/zinc/61/36/39/505613639.db2.gz FYZHUYYNHNSWJE-HRAATJIYSA-N 2 0 367.493 3.434 20 0 FGADRP C[C@@H](CCCC[NH3+])NC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000570938492 505616817 /nfs/dbraw/zinc/61/68/17/505616817.db2.gz DPLJMPQXXGAYFD-MAUKXSAKSA-N 2 0 366.937 3.294 20 0 FGADRP [NH3+][C@H]1CCCO[C@H]1C1CC[NH+](CCCOc2ccc(Cl)cc2)CC1 ZINC000573788271 505621400 /nfs/dbraw/zinc/62/14/00/505621400.db2.gz ZXERRPXJJVCDRU-OALUTQOASA-N 2 0 352.906 3.327 20 0 FGADRP [NH3+][C@H]1CCCC[C@H]1CC(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000573839710 505633279 /nfs/dbraw/zinc/63/32/79/505633279.db2.gz GLBJAZWKCIYHFN-HKUYNNGSSA-N 2 0 361.555 3.124 20 0 FGADRP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@H]2C[NH2+]Cc3ccccc32)CC1 ZINC000573840011 505633382 /nfs/dbraw/zinc/63/33/82/505633382.db2.gz NGVHVKZEPSTDHT-JTSKRJEESA-N 2 0 363.505 3.215 20 0 FGADRP [NH3+][C@@H]1CCC[C@H](C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)C1 ZINC000573843486 505633662 /nfs/dbraw/zinc/63/36/62/505633662.db2.gz PRDFZQCDVUPYQQ-UWHLTILDSA-N 2 0 355.526 3.017 20 0 FGADRP C[NH+](C)C[C@@H](NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)c1ccc(F)cc1 ZINC000579879371 505637548 /nfs/dbraw/zinc/63/75/48/505637548.db2.gz BVSFUTVWGULGFC-FXAWDEMLSA-N 2 0 361.505 3.199 20 0 FGADRP CN(C)c1cc(Cl)cc(Cl)c1C[NH2+]CCCC[N@@H+]1CCC[C@H]1CO ZINC000577106127 505665354 /nfs/dbraw/zinc/66/53/54/505665354.db2.gz HGYIVXCKVRJAOK-HNNXBMFYSA-N 2 0 374.356 3.386 20 0 FGADRP COCC[N@H+](C)CCC[NH2+][C@H](C)Cc1ccc(F)cc1Br ZINC000568319048 505665415 /nfs/dbraw/zinc/66/54/15/505665415.db2.gz NHRSYTUHPPKNQF-CYBMUJFWSA-N 2 0 361.299 3.077 20 0 FGADRP COCC[N@H+](C)CCC[NH2+][C@@H](C)Cc1ccc(F)cc1Br ZINC000568319049 505665513 /nfs/dbraw/zinc/66/55/13/505665513.db2.gz NHRSYTUHPPKNQF-ZDUSSCGKSA-N 2 0 361.299 3.077 20 0 FGADRP C[C@H]([NH2+]Cc1ccncc1OCC[NH+](C)C)c1ccc(-n2ccnc2)cc1 ZINC000568320703 505666123 /nfs/dbraw/zinc/66/61/23/505666123.db2.gz ITNOYCWRQVMGSF-KRWDZBQOSA-N 2 0 365.481 3.059 20 0 FGADRP CCC[N@H+](CC)C[C@@H](C)NC(=O)N(C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000574009423 505672713 /nfs/dbraw/zinc/67/27/13/505672713.db2.gz IIDNPBPUOOJAHD-TZIWHRDSSA-N 2 0 374.573 3.270 20 0 FGADRP CCOc1ccc(NC(=O)[C@H](C)[NH+]2CCC(C[NH+](CC)CC)CC2)cc1 ZINC000057847383 493808067 /nfs/dbraw/zinc/80/80/67/493808067.db2.gz KKNRJUIZCMQUPR-KRWDZBQOSA-N 2 0 361.530 3.466 20 0 FGADRP C[N@H+](CCC(=O)Nc1ccccc1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076110016 493824435 /nfs/dbraw/zinc/82/44/35/493824435.db2.gz HLHRQNPJPRSDJI-FQEVSTJZSA-N 2 0 351.494 3.469 20 0 FGADRP Cc1ccc(C[NH2+]Cc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)cc1C ZINC000076331169 493867035 /nfs/dbraw/zinc/86/70/35/493867035.db2.gz BWCHLWDRZJASAM-UHFFFAOYSA-N 2 0 365.521 3.419 20 0 FGADRP C[NH+](C)[C@@H](CNC(=O)c1cccc(C[NH+]2CCCC2)c1)c1ccsc1 ZINC000050029645 493893016 /nfs/dbraw/zinc/89/30/16/493893016.db2.gz MSZKXXVUAQTATL-IBGZPJMESA-N 2 0 357.523 3.377 20 0 FGADRP C[NH+](C)[C@@H](CNC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccsc1 ZINC000050028924 493893228 /nfs/dbraw/zinc/89/32/28/493893228.db2.gz AOUQWEDFNWNRCP-ICSRJNTNSA-N 2 0 371.550 3.379 20 0 FGADRP COc1ccc(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)cc1OCc1cccnc1 ZINC000030906891 493912729 /nfs/dbraw/zinc/91/27/29/493912729.db2.gz AJUSGOSKDDMGRK-GOSISDBHSA-N 2 0 367.493 3.243 20 0 FGADRP C[NH+](C)[C@@H](CNC(=O)c1ccc(C[NH+]2CCCC2)cc1)c1cccc(F)c1 ZINC000069180118 493933351 /nfs/dbraw/zinc/93/33/51/493933351.db2.gz RAQZNGPGLRQWLU-NRFANRHFSA-N 2 0 369.484 3.454 20 0 FGADRP CC[NH+]1CCC(CNC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000568416795 505689586 /nfs/dbraw/zinc/68/95/86/505689586.db2.gz IIHCXJHATVNFSL-UHFFFAOYSA-N 2 0 372.557 3.204 20 0 FGADRP COC(=O)c1oc(CN2C[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)cc1C ZINC000574084882 505689669 /nfs/dbraw/zinc/68/96/69/505689669.db2.gz USCYTMBUYMFYJA-MOPGFXCFSA-N 2 0 368.477 3.329 20 0 FGADRP CC[NH+](CC)CCNC(=O)NCc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000060894184 493957826 /nfs/dbraw/zinc/95/78/26/493957826.db2.gz MVUJGCKMTQZBIS-GOSISDBHSA-N 2 0 360.546 3.202 20 0 FGADRP C[C@@H](CC[NH+](C)C)NC(=O)NCc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000062505503 494014816 /nfs/dbraw/zinc/01/48/16/494014816.db2.gz LJIKAKSQVCAGHE-ZWKOTPCHSA-N 2 0 360.546 3.200 20 0 FGADRP C[C@@H]1CCC[C@@](CNC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)([NH+](C)C)C1 ZINC000052497297 494031830 /nfs/dbraw/zinc/03/18/30/494031830.db2.gz LFJRTEOLCDWSAM-FOIQADDNSA-N 2 0 352.567 3.105 20 0 FGADRP Cc1cccn2c(=O)cc(C[NH+]3CCC(C[NH+]4CCCCCC4)CC3)nc12 ZINC000052713666 494056236 /nfs/dbraw/zinc/05/62/36/494056236.db2.gz WFZORFSUBGJIFZ-UHFFFAOYSA-N 2 0 368.525 3.091 20 0 FGADRP C[NH+](C)C1(CNC(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)CCCCC1 ZINC000063651721 494074293 /nfs/dbraw/zinc/07/42/93/494074293.db2.gz PAXCELGULSCEGZ-FQEVSTJZSA-N 2 0 357.542 3.279 20 0 FGADRP C[C@@H](NC(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1)C(C)(C)C[NH+](C)C ZINC000085365690 494117564 /nfs/dbraw/zinc/11/75/64/494117564.db2.gz RPWOBXRMFFYOQS-IEBWSBKVSA-N 2 0 360.546 3.099 20 0 FGADRP C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)NC[C@]2(C)CCC[NH2+]C2)C1 ZINC000571300791 505702204 /nfs/dbraw/zinc/70/22/04/505702204.db2.gz SWTSIFYDGIYZRY-PGRDOPGGSA-N 2 0 372.557 3.107 20 0 FGADRP C[C@@H](COc1ccc(Cl)c(Cl)c1)[NH2+]CCCC[NH+]1CCN(C)CC1 ZINC000568473070 505702253 /nfs/dbraw/zinc/70/22/53/505702253.db2.gz UOLYWAUKAWOVMT-HNNXBMFYSA-N 2 0 374.356 3.378 20 0 FGADRP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)C1 ZINC000042910801 494251326 /nfs/dbraw/zinc/25/13/26/494251326.db2.gz LKICGZJKZOPQPR-IAGOWNOFSA-N 2 0 366.594 3.353 20 0 FGADRP CC[NH+](CC)Cc1ccc(C(=O)N2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@@H]3C2)cc1 ZINC000078209522 494256111 /nfs/dbraw/zinc/25/61/11/494256111.db2.gz NEHRDZARCPFWFU-PWRODBHTSA-N 2 0 355.526 3.085 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1ccc2nc(C)ccc2c1 ZINC000580245610 505712173 /nfs/dbraw/zinc/71/21/73/505712173.db2.gz WNMRVZRZFUTGIM-NRFANRHFSA-N 2 0 354.542 3.391 20 0 FGADRP CC(C)[C@@H](CNC(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1)[NH+]1CCC(C)CC1 ZINC000078523022 494313764 /nfs/dbraw/zinc/31/37/64/494313764.db2.gz DPHBWSBREUBWOS-VQTJNVASSA-N 2 0 366.594 3.163 20 0 FGADRP Cc1ccc([C@@H](CNC(=O)C2CC[NH+](C(C)C)CC2)[NH+]2CCCC2)cc1 ZINC000073173693 494332682 /nfs/dbraw/zinc/33/26/82/494332682.db2.gz JSVVLEVLNUUUOE-OAQYLSRUSA-N 2 0 357.542 3.369 20 0 FGADRP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000073550754 494388595 /nfs/dbraw/zinc/38/85/95/494388595.db2.gz KKOCWUKXRVLMBO-OAQYLSRUSA-N 2 0 372.557 3.298 20 0 FGADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000066704786 494389051 /nfs/dbraw/zinc/38/90/51/494389051.db2.gz XEIRGPYGZJKZFK-LJQANCHMSA-N 2 0 352.567 3.014 20 0 FGADRP CC[NH+](CC)Cc1ccc(CNC(=O)NC2CC[NH+](CC(C)C)CC2)cc1 ZINC000045181366 494404216 /nfs/dbraw/zinc/40/42/16/494404216.db2.gz ZZMLHXVLDGNCNU-UHFFFAOYSA-N 2 0 374.573 3.448 20 0 FGADRP CC[NH+]1CCC(CCNC(=O)NCCCC[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000073677565 494412254 /nfs/dbraw/zinc/41/22/54/494412254.db2.gz FRELWFIUXXYMQO-OALUTQOASA-N 2 0 366.594 3.166 20 0 FGADRP Cc1ccc2c(c1)[C@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)CC2 ZINC000090038614 494431674 /nfs/dbraw/zinc/43/16/74/494431674.db2.gz OBBNNRRXFCCEHB-OAQYLSRUSA-N 2 0 351.494 3.064 20 0 FGADRP CC1CC[NH+](CCCCNC(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000079389771 494445089 /nfs/dbraw/zinc/44/50/89/494445089.db2.gz JTZZGQKFZPJONK-FQEVSTJZSA-N 2 0 366.594 3.452 20 0 FGADRP C[C@H]([NH2+]Cc1ccc([S@@](C)=O)cc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000090221086 494456410 /nfs/dbraw/zinc/45/64/10/494456410.db2.gz FJIMXHAWAVVQPA-LMKMVOKYSA-N 2 0 360.523 3.215 20 0 FGADRP COc1ccc(-c2ccccc2C)cc1C[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000574204535 505719692 /nfs/dbraw/zinc/71/96/92/505719692.db2.gz KKUADEBPAQENLD-NRFANRHFSA-N 2 0 365.521 3.150 20 0 FGADRP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2ccc(NS(C)(=O)=O)cc2)C1 ZINC000090586821 494484400 /nfs/dbraw/zinc/48/44/00/494484400.db2.gz KHBHYXKJAJPMFV-IRXDYDNUSA-N 2 0 367.559 3.077 20 0 FGADRP CCC[NH+]1CCC(NC(=O)NCC(C)(C)[NH2+][C@H](C)c2ccccc2)CC1 ZINC000074210811 494498514 /nfs/dbraw/zinc/49/85/14/494498514.db2.gz HQMZGECHHPSCKE-QGZVFWFLSA-N 2 0 360.546 3.289 20 0 FGADRP C[C@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)c1cccc(OC(F)F)c1 ZINC000090937168 494504391 /nfs/dbraw/zinc/50/43/91/494504391.db2.gz BQTMIFISKJFLKH-AWEZNQCLSA-N 2 0 365.424 3.474 20 0 FGADRP C[C@@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)c1cc(F)c(F)c(F)c1 ZINC000090937337 494504571 /nfs/dbraw/zinc/50/45/71/494504571.db2.gz JJQYHKQCAUOUQW-GFCCVEGCSA-N 2 0 353.388 3.290 20 0 FGADRP C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)c2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000074318575 494517232 /nfs/dbraw/zinc/51/72/32/494517232.db2.gz KEPYIMGIDBQOAZ-FQEVSTJZSA-N 2 0 355.526 3.086 20 0 FGADRP CC(C)[NH+]1CCC(NC(=O)NC[C@@H]2CCC[N@@H+]2CC2CCCCC2)CC1 ZINC000067455975 494545578 /nfs/dbraw/zinc/54/55/78/494545578.db2.gz XXPFKQLOLVKVQV-FQEVSTJZSA-N 2 0 364.578 3.203 20 0 FGADRP C[C@@H](CNC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1)C[NH+]1CCCC1 ZINC000079924439 494551400 /nfs/dbraw/zinc/55/14/00/494551400.db2.gz XZKGRFLZGACLSD-IBGZPJMESA-N 2 0 372.557 3.204 20 0 FGADRP COc1ccc([C@H]([NH2+]Cc2ccc(N3CC[NH+](C)CC3)nc2)C(C)C)cc1 ZINC000091282909 494577362 /nfs/dbraw/zinc/57/73/62/494577362.db2.gz UBEFOGYVPMKKTR-JOCHJYFZSA-N 2 0 368.525 3.329 20 0 FGADRP CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+][C@H](CC[NH+](C)C)C(C)(C)C)cc1 ZINC000125939396 494582494 /nfs/dbraw/zinc/58/24/94/494582494.db2.gz DEGCYNLMJJTNOF-CRAIPNDOSA-N 2 0 369.575 3.465 20 0 FGADRP CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+][C@H](CC[NH+](C)C)C(C)(C)C)cc1 ZINC000125939619 494582632 /nfs/dbraw/zinc/58/26/32/494582632.db2.gz DEGCYNLMJJTNOF-MAUKXSAKSA-N 2 0 369.575 3.465 20 0 FGADRP Cc1nc(CC[NH2+]Cc2c(Cl)cccc2N2CC[NH+](C)CC2)cs1 ZINC000092368604 494607593 /nfs/dbraw/zinc/60/75/93/494607593.db2.gz YCILXPALNNXRFE-UHFFFAOYSA-N 2 0 364.946 3.189 20 0 FGADRP C[C@@H](CNC(=O)N(C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1)C[NH+]1CCCC1 ZINC000074856583 494626131 /nfs/dbraw/zinc/62/61/31/494626131.db2.gz OAGFPFSDZWMQFI-PZJWPPBQSA-N 2 0 372.557 3.024 20 0 FGADRP C[C@H]([NH2+]C(C)(C)CNC(=O)N(C)C[C@@H]1CCC[N@H+](C)C1)c1ccccc1 ZINC000115828593 494635309 /nfs/dbraw/zinc/63/53/09/494635309.db2.gz UEVQKDKUFDROMG-ZWKOTPCHSA-N 2 0 360.546 3.099 20 0 FGADRP C[NH+](C)Cc1ccc(CNC(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000057137800 494654022 /nfs/dbraw/zinc/65/40/22/494654022.db2.gz DWVPYMPGCQZDDJ-QFIPXVFZSA-N 2 0 365.521 3.277 20 0 FGADRP C[C@@H]1C[NH+](CC2CC[NH+](Cc3c[nH]nc3-c3cccs3)CC2)C[C@@H](C)O1 ZINC000092587170 494678327 /nfs/dbraw/zinc/67/83/27/494678327.db2.gz UGDQFDSZNIQBOI-HZPDHXFCSA-N 2 0 374.554 3.459 20 0 FGADRP CN(c1ccccc1C[NH+]1CCC(n2ccnc2)CC1)C1CC[NH+](C)CC1 ZINC000092648724 494693417 /nfs/dbraw/zinc/69/34/17/494693417.db2.gz IJODRCRDSWXZGT-UHFFFAOYSA-N 2 0 367.541 3.251 20 0 FGADRP C[N@@H+]1CC[C@H]([NH2+]CCc2nc(-c3ccc(Cl)cc3)no2)[C@@H]2CCC[C@H]21 ZINC000580340629 505736378 /nfs/dbraw/zinc/73/63/78/505736378.db2.gz VLJPTCBURZVZDZ-YESZJQIVSA-N 2 0 360.889 3.395 20 0 FGADRP C[C@@H]1CCC[C@@H](C[NH+]2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)C1 ZINC000092797398 494754299 /nfs/dbraw/zinc/75/42/99/494754299.db2.gz VHBOASLCSABTLX-QZTJIDSGSA-N 2 0 351.579 3.229 20 0 FGADRP CCC[NH+](CCC)CCCNC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000126454861 494756184 /nfs/dbraw/zinc/75/61/84/494756184.db2.gz OCNCLUVSYOPGKG-QUCCMNQESA-N 2 0 364.578 3.157 20 0 FGADRP C[C@H](C(=O)NC1CCCCC1)[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092820874 494761066 /nfs/dbraw/zinc/76/10/66/494761066.db2.gz FQFYHDVCCNIQHS-GOSISDBHSA-N 2 0 372.557 3.457 20 0 FGADRP C[NH+](C)CCN1CCC([NH2+][C@@H]2CCCOc3cc4c(cc32)CCCC4)CC1 ZINC000126520555 494777518 /nfs/dbraw/zinc/77/75/18/494777518.db2.gz HUPOCUOIRLXHGF-JOCHJYFZSA-N 2 0 371.569 3.395 20 0 FGADRP Cc1nccn1C[C@@H](C)C[NH2+]C1CCC2(CC1)C(=O)Nc1ccccc12 ZINC000121514117 494788497 /nfs/dbraw/zinc/78/84/97/494788497.db2.gz ZEEXLSNSYLOWDQ-NNDYNSRJSA-N 2 0 352.482 3.250 20 0 FGADRP C[C@H](C[NH2+][C@H]1CCCOc2cc3c(cc21)CCCC3)CN1CC[NH+](C)CC1 ZINC000126649111 494810827 /nfs/dbraw/zinc/81/08/27/494810827.db2.gz IKOUGHRIKMIWFS-GCJKJVERSA-N 2 0 371.569 3.252 20 0 FGADRP CCCC[NH+]1CCC(NC(=O)N[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC000132074498 494813364 /nfs/dbraw/zinc/81/33/64/494813364.db2.gz HKLOLYBOOKSHEV-NQIIRXRSSA-N 2 0 372.557 3.213 20 0 FGADRP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000116560880 494815019 /nfs/dbraw/zinc/81/50/19/494815019.db2.gz SXMUPGBOZIQHPK-RTBURBONSA-N 2 0 372.557 3.195 20 0 FGADRP CC(C)CN(CC[NH+](C)C)C(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000116561583 494816417 /nfs/dbraw/zinc/81/64/17/494816417.db2.gz XEAYXVHOIPYKEG-LJQANCHMSA-N 2 0 374.573 3.441 20 0 FGADRP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)C1 ZINC000109122078 494834603 /nfs/dbraw/zinc/83/46/03/494834603.db2.gz ZUHKHAMFPNJSNU-SBHAEUEKSA-N 2 0 357.542 3.135 20 0 FGADRP CC[NH+](CC)[C@@H](C(=O)N1CCC(C[NH+]2CCCC2)CC1)c1ccccc1 ZINC000109151370 494838209 /nfs/dbraw/zinc/83/82/09/494838209.db2.gz NWMIEHNULATNAD-OAQYLSRUSA-N 2 0 357.542 3.404 20 0 FGADRP CC[C@H]([NH2+]C[C@H](C(C)C)N1CC[NH+](C)CC1)c1ccc(OC)c(OC)c1 ZINC000132350665 494860569 /nfs/dbraw/zinc/86/05/69/494860569.db2.gz ZFMZZSCXOHKNEF-RBUKOAKNSA-N 2 0 363.546 3.017 20 0 FGADRP Cc1nc(C(C)C)sc1[C@H](C)[NH2+]C[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000132435087 494874244 /nfs/dbraw/zinc/87/42/44/494874244.db2.gz RVAPEWKQZYCICP-DOTOQJQBSA-N 2 0 352.592 3.498 20 0 FGADRP CCC[NH+]1CCN(c2ccccc2C[N@H+](C)[C@H]2CCN(C)[C@H](C)C2)CC1 ZINC000093644312 494906454 /nfs/dbraw/zinc/90/64/54/494906454.db2.gz JLTLTJORUSOTNN-CTNGQTDRSA-N 2 0 358.574 3.133 20 0 FGADRP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2c[nH]nc2-c2ccc3c(c2)OCCO3)[C@H](C)C1 ZINC000093639694 494907268 /nfs/dbraw/zinc/90/72/68/494907268.db2.gz ZIXOODUYUSUEMH-CRAIPNDOSA-N 2 0 370.497 3.010 20 0 FGADRP O[C@H](COCc1cccs1)C[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000122094151 494923167 /nfs/dbraw/zinc/92/31/67/494923167.db2.gz OXVLHHZFGORURN-IBGZPJMESA-N 2 0 366.571 3.214 20 0 FGADRP Cn1cc(C[C@@H]2CC[N@H+](CC(C)(C)C[NH+](C)Cc3ccccc3)C2)cn1 ZINC000093870361 494929643 /nfs/dbraw/zinc/92/96/43/494929643.db2.gz VZUNNTKQPHSHSP-FQEVSTJZSA-N 2 0 354.542 3.443 20 0 FGADRP CN(c1ccccc1C[NH2+]C[C@@H]1Cc2ccccc2O1)C1CC[NH+](C)CC1 ZINC000132858393 494934352 /nfs/dbraw/zinc/93/43/52/494934352.db2.gz VJTDWJQOFBRKNI-NRFANRHFSA-N 2 0 365.521 3.310 20 0 FGADRP CN(C)CC[NH+]1CCC(C[NH2+][C@H]2CCCOc3cc4c(cc32)CCC4)CC1 ZINC000122263583 494948665 /nfs/dbraw/zinc/94/86/65/494948665.db2.gz FYQZSLNWFYXBGI-QFIPXVFZSA-N 2 0 371.569 3.252 20 0 FGADRP C[C@H](C[NH2+][C@@H]1CCCc2ncc(C(F)(F)F)cc21)CN1CCOCC1 ZINC000133023709 494957654 /nfs/dbraw/zinc/95/76/54/494957654.db2.gz QVYKIQIPZANGCX-CZUORRHYSA-N 2 0 357.420 3.036 20 0 FGADRP Fc1ccc(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)c2ncccc12 ZINC000110242840 494960725 /nfs/dbraw/zinc/96/07/25/494960725.db2.gz OIYVWQBBVGOGNK-UHFFFAOYSA-N 2 0 357.473 3.308 20 0 FGADRP C[C@@H](C[NH2+][C@H]1CCCSc2ccc(Cl)cc21)N1CC[NH+](C)CC1 ZINC000127646920 494975723 /nfs/dbraw/zinc/97/57/23/494975723.db2.gz HARSDLAJLUKTQT-YOEHRIQHSA-N 2 0 353.963 3.493 20 0 FGADRP C[C@H](C[NH2+][C@H]1C[C@@H](C)c2c1cccc2Br)N1CC[NH+](C)CC1 ZINC000127682335 494981093 /nfs/dbraw/zinc/98/10/93/494981093.db2.gz IBYBLTGNGYKMKO-CPUCHLNUSA-N 2 0 366.347 3.223 20 0 FGADRP C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000580412980 505753606 /nfs/dbraw/zinc/75/36/06/505753606.db2.gz MHSJMDGDHGLWHN-WIYYLYMNSA-N 2 0 372.557 3.474 20 0 FGADRP C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)N2CCC(CC[NH+](C)C)CC2)C1 ZINC000097216232 495028232 /nfs/dbraw/zinc/02/82/32/495028232.db2.gz HPWVAYOKELJKLU-ROUUACIJSA-N 2 0 366.594 3.116 20 0 FGADRP COc1ccc([C@@H](C)[NH2+]CCC[N@@H+]2CCC[C@H](C(N)=O)C2)c2ccccc12 ZINC000128016022 495031366 /nfs/dbraw/zinc/03/13/66/495031366.db2.gz ZTBWQZMULPMCNV-SJORKVTESA-N 2 0 369.509 3.086 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)NCCCC[NH+]2CCCC[C@H]2C)C1 ZINC000097428394 495035428 /nfs/dbraw/zinc/03/54/28/495035428.db2.gz YMWDPTMIFLSSOI-HSALFYBXSA-N 2 0 366.594 3.308 20 0 FGADRP Cc1ccc(-c2noc(CCC[N@@H+](C)C[C@@H]3CCC[NH+](C)C3)n2)cc1F ZINC000118841305 495047358 /nfs/dbraw/zinc/04/73/58/495047358.db2.gz ZXEMZHHXRWFGPE-MRXNPFEDSA-N 2 0 360.477 3.390 20 0 FGADRP C[NH+](C)CCNC(=O)c1ccc(C[NH2+]C2CC(c3ccccc3F)C2)cc1 ZINC000128155798 495053032 /nfs/dbraw/zinc/05/30/32/495053032.db2.gz JBXLUIDZMPSTOP-UHFFFAOYSA-N 2 0 369.484 3.153 20 0 FGADRP C[C@@H]([NH2+]CCCN1CCC[N@H+](C)CC1)c1ccccc1OC(F)(F)F ZINC000128267180 495070127 /nfs/dbraw/zinc/07/01/27/495070127.db2.gz HAMUMVPRPRRUKN-OAHLLOKOSA-N 2 0 359.436 3.263 20 0 FGADRP CN(c1ccccc1C[NH2+]C[C@H](O)c1ccc(F)cc1)C1CC[NH+](C)CC1 ZINC000123070807 495076436 /nfs/dbraw/zinc/07/64/36/495076436.db2.gz ZSWOCDFAPYZONB-QFIPXVFZSA-N 2 0 371.500 3.179 20 0 FGADRP C[NH+](C)CCCC1CC[NH+](C[C@@H](O)CO[C@@H]2CCCc3ccccc32)CC1 ZINC000123119334 495083282 /nfs/dbraw/zinc/08/32/82/495083282.db2.gz IOGNDXRVXVZYBW-FYYLOGMGSA-N 2 0 374.569 3.495 20 0 FGADRP Cc1cc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)cc(C)c1OC(F)F ZINC000134087766 495103991 /nfs/dbraw/zinc/10/39/91/495103991.db2.gz SPFMESSSBLQARD-UHFFFAOYSA-N 2 0 368.468 3.449 20 0 FGADRP c1cc(-c2ncc(C[NH+]3CCC(C[NH+]4CCOCC4)CC3)s2)cs1 ZINC000134101226 495106193 /nfs/dbraw/zinc/10/61/93/495106193.db2.gz KXHYSZAHRJIQLQ-UHFFFAOYSA-N 2 0 363.552 3.416 20 0 FGADRP C[N@H+](Cc1ccccc1CNC(=O)NCC1CC[NH2+]CC1)C1CCCCC1 ZINC000571538337 505757285 /nfs/dbraw/zinc/75/72/85/505757285.db2.gz SKNBTZDGPRZVOW-UHFFFAOYSA-N 2 0 372.557 3.250 20 0 FGADRP Cc1nc(C(C)(C)C)sc1[C@H](C)NCc1nnc(C2CC[NH2+]CC2)[nH]1 ZINC000577602135 505761992 /nfs/dbraw/zinc/76/19/92/505761992.db2.gz VUDKHKPRGBSKCT-NSHDSACASA-N 2 0 362.547 3.185 20 0 FGADRP CCCC[N@H+](C)CC1CC[NH+](Cc2ccccc2N2CCOCC2)CC1 ZINC000134169179 495116216 /nfs/dbraw/zinc/11/62/16/495116216.db2.gz WYYKXJLZXOFZNK-UHFFFAOYSA-N 2 0 359.558 3.467 20 0 FGADRP Cc1ccccc1CCNC(=O)[C@@H](C)[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123477244 495138045 /nfs/dbraw/zinc/13/80/45/495138045.db2.gz QRXMXBVCNYFJIT-LJQANCHMSA-N 2 0 359.558 3.096 20 0 FGADRP C[C@H]1C[C@@H](CNC(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)C[NH+]1Cc1ccccc1 ZINC000119346198 495147231 /nfs/dbraw/zinc/14/72/31/495147231.db2.gz HJPWJQURIHSGRT-YXYSEUPNSA-N 2 0 372.557 3.021 20 0 FGADRP C[C@@H]1CCC[NH+](CCCCNC(=O)NCCCC[N@H+]2CCC[C@H](C)C2)C1 ZINC000128782094 495149569 /nfs/dbraw/zinc/14/95/69/495149569.db2.gz CKZFLWOMTBAQOB-BGYRXZFFSA-N 2 0 366.594 3.310 20 0 FGADRP C[C@@H](C(=O)NCc1ccccc1Cl)[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123619845 495161764 /nfs/dbraw/zinc/16/17/64/495161764.db2.gz QCKNJPVECRPTCF-INIZCTEOSA-N 2 0 365.949 3.399 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1ccc(Cn2ccnc2)cc1 ZINC000119561389 495190997 /nfs/dbraw/zinc/19/09/97/495190997.db2.gz KXZRIGTYFQFXOJ-GCJKJVERSA-N 2 0 374.488 3.182 20 0 FGADRP C[NH+](C)CCCCC(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000571585192 505766666 /nfs/dbraw/zinc/76/66/66/505766666.db2.gz YDJSIKVXMOQVIS-INIZCTEOSA-N 2 0 359.436 3.156 20 0 FGADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1ccc(-c2ccc(F)cc2)s1 ZINC000103211719 495205022 /nfs/dbraw/zinc/20/50/22/495205022.db2.gz LXAWCEAFAYTDSR-UHFFFAOYSA-N 2 0 363.502 3.120 20 0 FGADRP CN(C(=O)C[C@H]([NH3+])c1ccccc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000119656180 495211491 /nfs/dbraw/zinc/21/14/91/495211491.db2.gz AEOCQLHSVBGVQM-NRFANRHFSA-N 2 0 351.494 3.200 20 0 FGADRP C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N2CC[C@H](C[NH+](C)C)C2)C1 ZINC000129459932 495247838 /nfs/dbraw/zinc/24/78/38/495247838.db2.gz FRXIQEGGSRVAKM-RBUKOAKNSA-N 2 0 372.557 3.012 20 0 FGADRP C[NH+]1CCN(c2ncccc2C[NH2+][C@@H]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000129509610 495254821 /nfs/dbraw/zinc/25/48/21/495254821.db2.gz PAGDPTYBYYRABB-HZPDHXFCSA-N 2 0 356.436 3.044 20 0 FGADRP C[C@@H]1CCN(C(=O)c2oc3ccccc3c2C[NH+](C)C)C[C@H]1n1ccnc1 ZINC000124290735 495263537 /nfs/dbraw/zinc/26/35/37/495263537.db2.gz HCSXYLNAXGBGSW-CRAIPNDOSA-N 2 0 366.465 3.414 20 0 FGADRP COC[C@@H]1CCC[NH+](Cc2ccccc2C[N@H+]2CCC[C@H](COC)C2)C1 ZINC000112985381 495263650 /nfs/dbraw/zinc/26/36/50/495263650.db2.gz YEPOFGYSAPNOBW-BGYRXZFFSA-N 2 0 360.542 3.403 20 0 FGADRP COC1(C[NH+]2CCN([C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)CCCCC1 ZINC000574439046 505773353 /nfs/dbraw/zinc/77/33/53/505773353.db2.gz PQIKZFHYPZPSJQ-QFIPXVFZSA-N 2 0 371.569 3.228 20 0 FGADRP CCC(CC)(CNC(=O)NC1CC[NH+](C)CC1)[NH2+][C@H](C)c1ccccc1 ZINC000113579300 495317208 /nfs/dbraw/zinc/31/72/08/495317208.db2.gz ZRVAIMWAYKTUJY-QGZVFWFLSA-N 2 0 360.546 3.289 20 0 FGADRP C[C@H]([NH2+]CCCN1CC[NH+](C)CC1)C(c1ccccc1)c1ccccc1 ZINC000120407067 495371122 /nfs/dbraw/zinc/37/11/22/495371122.db2.gz ANZSPHNGUCDRCY-FQEVSTJZSA-N 2 0 351.538 3.434 20 0 FGADRP OC[C@H](Cc1ccccc1)[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000130323575 495373072 /nfs/dbraw/zinc/37/30/72/495373072.db2.gz ZAOOYBFBWIMFTH-WZYRSQIMSA-N 2 0 350.506 3.090 20 0 FGADRP CC[C@H](Cc1ccccc1)[N@H+](CC)CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000120507890 495394181 /nfs/dbraw/zinc/39/41/81/495394181.db2.gz PGKCDYYKONEVNO-OAQYLSRUSA-N 2 0 359.558 3.319 20 0 FGADRP CC1CC[NH+](CC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC000137104488 495423361 /nfs/dbraw/zinc/42/33/61/495423361.db2.gz MCTZWWFVOILRJQ-SEJPIABJSA-N 2 0 355.526 3.030 20 0 FGADRP CCC[NH+]1CCC(Nc2cc(NC3CC[NH+](CCC)CC3)ncn2)CC1 ZINC000120762215 495453182 /nfs/dbraw/zinc/45/31/82/495453182.db2.gz UTEUCRHBQOYWBE-UHFFFAOYSA-N 2 0 360.550 3.049 20 0 FGADRP O=C(C[C@@H]1CC[NH2+]C1)N1CC[N@H+](Cc2ccccc2)C2(CCCCC2)C1 ZINC000130880321 495460349 /nfs/dbraw/zinc/46/03/49/495460349.db2.gz GXLRZFMDVNLEQG-FQEVSTJZSA-N 2 0 355.526 3.033 20 0 FGADRP CC(C)C[NH+]1CCC[C@@H](CNC(=O)NC[C@H]2CCC[N@@H+](CC(C)C)C2)C1 ZINC000130935905 495468264 /nfs/dbraw/zinc/46/82/64/495468264.db2.gz JGEFXWZMUYRGKX-BGYRXZFFSA-N 2 0 366.594 3.022 20 0 FGADRP C[C@@H](C[NH2+][C@H](Cc1ccccc1)c1ccccc1)CN1CC[NH+](C)CC1 ZINC000120846772 495470227 /nfs/dbraw/zinc/47/02/27/495470227.db2.gz WQGQKIHOOACWKO-NZQKXSOJSA-N 2 0 351.538 3.444 20 0 FGADRP CC(C)(C)[C@H](C[N@@H+]1CCc2ccccc2C1)NC(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000577749328 505784663 /nfs/dbraw/zinc/78/46/63/505784663.db2.gz YDBKTVYSVCZGAI-HOJAQTOUSA-N 2 0 357.542 3.093 20 0 FGADRP C[C@H]([NH2+]C(C)(C)CNC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1)c1ccccc1 ZINC000140390667 495495129 /nfs/dbraw/zinc/49/51/29/495495129.db2.gz VTULSGVSZYKYRM-SXLOBPIMSA-N 2 0 372.557 3.242 20 0 FGADRP Cc1ccc(-c2ncc(C[NH2+]CCCN3CCC[N@@H+](C)CC3)s2)cc1 ZINC000115616689 495521405 /nfs/dbraw/zinc/52/14/05/495521405.db2.gz OUMXUGUJCWUIFQ-UHFFFAOYSA-N 2 0 358.555 3.236 20 0 FGADRP CCC[NH+]1CCC(NC(=O)NCc2ccc(C[NH+](CC)CC)cc2)CC1 ZINC000107326598 495525167 /nfs/dbraw/zinc/52/51/67/495525167.db2.gz PSYOBLXKPHLLCS-UHFFFAOYSA-N 2 0 360.546 3.202 20 0 FGADRP CN(C)[C@@H](C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1)c1ccccc1 ZINC000144147968 495541978 /nfs/dbraw/zinc/54/19/78/495541978.db2.gz FEESNRDVLVROSP-IEBWSBKVSA-N 2 0 357.523 3.304 20 0 FGADRP Cc1ccc([C@H]2CCCCC[N@@H+]2CC(=O)NC2CC[NH+](C3CC3)CC2)o1 ZINC000158637040 495556261 /nfs/dbraw/zinc/55/62/61/495556261.db2.gz HPKOFTNUJRSVSX-LJQANCHMSA-N 2 0 359.514 3.248 20 0 FGADRP Cc1ccc([C@H](CNC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)[NH+]2CCCC2)o1 ZINC000176232117 495556883 /nfs/dbraw/zinc/55/68/83/495556883.db2.gz GWZVVDKGYBMIKN-IPQPSQTFSA-N 2 0 374.529 3.039 20 0 FGADRP C[NH+](C)CC1(CNC(=O)NC2CC[NH+](Cc3ccccc3)CC2)CCCC1 ZINC000185388347 495558698 /nfs/dbraw/zinc/55/86/98/495558698.db2.gz TWIZXDSXTSAMGB-UHFFFAOYSA-N 2 0 372.557 3.072 20 0 FGADRP C[C@H]([NH2+]CCCC[NH+]1CCN(C)CC1)c1ccc(Br)s1 ZINC000154360281 495592283 /nfs/dbraw/zinc/59/22/83/495592283.db2.gz TYGVRCAPUSJVQE-ZDUSSCGKSA-N 2 0 360.365 3.189 20 0 FGADRP CC(C)[C@@H](CNC(=O)NC1CC[NH+](C2CCCCC2)CC1)[NH+]1CCCC1 ZINC000176330026 495603428 /nfs/dbraw/zinc/60/34/28/495603428.db2.gz OKKIRQNQIOMEHR-HXUWFJFHSA-N 2 0 364.578 3.203 20 0 FGADRP Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+]CCCC[NH+]1CCN(C)CC1 ZINC000154411020 495607972 /nfs/dbraw/zinc/60/79/72/495607972.db2.gz QOXXCZZEPQCHER-HNNXBMFYSA-N 2 0 352.592 3.427 20 0 FGADRP Cc1cc(NC(=O)CC[NH+]2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)no1 ZINC000158936570 495619126 /nfs/dbraw/zinc/61/91/26/495619126.db2.gz SGPPYWNUZXUHOP-INIZCTEOSA-N 2 0 362.518 3.288 20 0 FGADRP C[NH+](C)CC1(CNC(=O)NC2CC[NH+](CC3CCCC3)CC2)CCCC1 ZINC000185561785 495621830 /nfs/dbraw/zinc/62/18/30/495621830.db2.gz MCKQWKZGCDYPLC-UHFFFAOYSA-N 2 0 364.578 3.062 20 0 FGADRP CCCC[N@H+](C)CC1CCN(C(=O)NC[C@@H]2CC[NH+](CC(C)C)C2)CC1 ZINC000150762369 495625248 /nfs/dbraw/zinc/62/52/48/495625248.db2.gz JXTFQXBFXBMSNO-FQEVSTJZSA-N 2 0 366.594 3.118 20 0 FGADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@@H]2CCN(c3ncc(C(F)(F)F)cc3Cl)C2)C1 ZINC000574531123 505793949 /nfs/dbraw/zinc/79/39/49/505793949.db2.gz LYKPTXKYRFSVML-FRRDWIJNSA-N 2 0 362.827 3.192 20 0 FGADRP CC[NH+]1CCC(CCNC(=O)N[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)CC1 ZINC000182671755 495657822 /nfs/dbraw/zinc/65/78/22/495657822.db2.gz OHWYUTZGUNOYDG-HKUYNNGSSA-N 2 0 364.578 3.061 20 0 FGADRP C[NH+]1CCN(c2cc(C[NH2+][C@@H]3CC(C)(C)Cc4occc43)ccn2)CC1 ZINC000159150207 495670393 /nfs/dbraw/zinc/67/03/93/495670393.db2.gz XZXZENUZSYIANZ-GOSISDBHSA-N 2 0 354.498 3.230 20 0 FGADRP Cc1ccc(NC(=O)N2CCC([NH+]3CCCC3)CC2)c(OCC[NH+](C)C)c1 ZINC000154606236 495670391 /nfs/dbraw/zinc/67/03/91/495670391.db2.gz GWWIILHZKQUFRU-UHFFFAOYSA-N 2 0 374.529 3.028 20 0 FGADRP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000176492921 495671925 /nfs/dbraw/zinc/67/19/25/495671925.db2.gz VLMLSUBBPIHLFI-LJQANCHMSA-N 2 0 364.578 3.299 20 0 FGADRP Cc1cn2c(n1)CC[C@H]([NH2+][C@@H](C)c1nnn(-c3cccc(Cl)c3)c1C)C2 ZINC000150951069 495691149 /nfs/dbraw/zinc/69/11/49/495691149.db2.gz UHNLPIPPXSXLMT-BBRMVZONSA-N 2 0 370.888 3.400 20 0 FGADRP C[C@H](NC(=O)NC1CCC(C[NH+](C)C)CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182761951 495693187 /nfs/dbraw/zinc/69/31/87/495693187.db2.gz YJCUSLRGFAITOT-BMHOQUIDSA-N 2 0 364.578 3.059 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1CCNC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000159272836 495698803 /nfs/dbraw/zinc/69/88/03/495698803.db2.gz JZFYOBDDOSSVAY-LJQANCHMSA-N 2 0 357.542 3.279 20 0 FGADRP C[C@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)[C@H](C)c1nc2ccccc2s1 ZINC000150976207 495699309 /nfs/dbraw/zinc/69/93/09/495699309.db2.gz UYOVTQMNSGQLDB-HOTGVXAUSA-N 2 0 360.571 3.404 20 0 FGADRP Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000150986235 495703418 /nfs/dbraw/zinc/70/34/18/495703418.db2.gz IUVIDUAQNWTJQB-AWEZNQCLSA-N 2 0 352.592 3.426 20 0 FGADRP O[C@@H](COCc1ccccc1Cl)C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000173872507 495726800 /nfs/dbraw/zinc/72/68/00/495726800.db2.gz CFXBQUOITLTJAQ-IEBWSBKVSA-N 2 0 366.933 3.025 20 0 FGADRP CC(C)[N@@H+]1[C@@H]2CC[C@H]1CN(C(=O)NCCCC[NH+]1CCC(C)CC1)CC2 ZINC000173887434 495732639 /nfs/dbraw/zinc/73/26/39/495732639.db2.gz DQVUMRRLCUOQRY-UXHICEINSA-N 2 0 364.578 3.155 20 0 FGADRP C[NH+]1CCN(CCC(C)(C)[NH2+]Cc2cnc(-c3ccccc3)s2)CC1 ZINC000185897545 495771421 /nfs/dbraw/zinc/77/14/21/495771421.db2.gz FSOWARRQFSFKTO-UHFFFAOYSA-N 2 0 358.555 3.316 20 0 FGADRP COc1cc(-c2ccccc2)ccc1C[NH2+]CCCN1CC[NH+](C)CC1 ZINC000183044183 495810554 /nfs/dbraw/zinc/81/05/54/495810554.db2.gz SNLJRLFWNHHVAO-UHFFFAOYSA-N 2 0 353.510 3.089 20 0 FGADRP Cc1nc2ccccc2nc1C[NH+]1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000171307216 495813325 /nfs/dbraw/zinc/81/33/25/495813325.db2.gz KXKOYMDQJLEVHV-IAGOWNOFSA-N 2 0 368.525 3.259 20 0 FGADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H]1CCCSc2ccc(Cl)cc21 ZINC000155051667 495818062 /nfs/dbraw/zinc/81/80/62/495818062.db2.gz VIDOZRNXVGTSOT-PBHICJAKSA-N 2 0 353.963 3.493 20 0 FGADRP COC1CCC([NH2+]CCCC[NH+]2CCN(Cc3ccccc3)CC2)CC1 ZINC000183136719 495849686 /nfs/dbraw/zinc/84/96/86/495849686.db2.gz RPIBIZZIYISDOI-UHFFFAOYSA-N 2 0 359.558 3.132 20 0 FGADRP Cc1cccc2c1CC[C@@H]2[NH2+]Cc1cccc(OCCN2CCOCC2)c1 ZINC000155154429 495855066 /nfs/dbraw/zinc/85/50/66/495855066.db2.gz PLECSCOGKFVZRW-QHCPKHFHSA-N 2 0 366.505 3.483 20 0 FGADRP C[C@@H](c1ccccc1)N1CC[C@H]([NH2+]C2CCN(Cc3ccccn3)CC2)C1 ZINC000151565444 495879507 /nfs/dbraw/zinc/87/95/07/495879507.db2.gz SHSZNZKQJKEAIL-CVDCTZTESA-N 2 0 364.537 3.471 20 0 FGADRP C[C@@H]1C[C@@H]([NH2+]CCC(=O)NC2CCCCC2)CCN1Cc1ccccc1 ZINC000580670055 505810139 /nfs/dbraw/zinc/81/01/39/505810139.db2.gz QJDZFQGPJDJYQU-NQIIRXRSSA-N 2 0 357.542 3.468 20 0 FGADRP C[C@@H]1C[C@@H](N(C)C(=O)NCC2CC[NH+](Cc3ccccc3)CC2)CC[N@@H+]1C ZINC000174345200 495919878 /nfs/dbraw/zinc/91/98/78/495919878.db2.gz LLPSLASGOQCJIF-NQIIRXRSSA-N 2 0 372.557 3.023 20 0 FGADRP C[C@@H]1C[C@H](N(C)C(=O)NC[C@@H](C2CC2)[NH+](C)Cc2ccccc2)CC[N@@H+]1C ZINC000186269930 495921080 /nfs/dbraw/zinc/92/10/80/495921080.db2.gz FGSITVSMPCCDDC-UIFIKXQLSA-N 2 0 372.557 3.021 20 0 FGADRP CC(C)[C@H](CNC(=O)NCc1ccccc1C[NH+]1CCCC1)[NH+]1CCCC1 ZINC000171598472 495943551 /nfs/dbraw/zinc/94/35/51/495943551.db2.gz LXLYHQYSSZJTAQ-NRFANRHFSA-N 2 0 372.557 3.202 20 0 FGADRP COc1ccc(-c2noc([C@@H](C)[NH+]3CCC(CC[NH+](C)C)CC3)n2)cc1 ZINC000151965062 496007093 /nfs/dbraw/zinc/00/70/93/496007093.db2.gz PQIKUKIVMSRKFT-OAHLLOKOSA-N 2 0 358.486 3.470 20 0 FGADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]CCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000183498999 496010386 /nfs/dbraw/zinc/01/03/86/496010386.db2.gz QGPDSEIUNZTAOV-WOIUINJBSA-N 3 0 359.558 3.022 20 0 FGADRP CC[C@@H]([NH2+]C[C@@H](C)N1CC[NH+](CC)CC1)c1ccccc1OC(F)F ZINC000155695574 496038031 /nfs/dbraw/zinc/03/80/31/496038031.db2.gz FZDVVUYULWVRPA-NVXWUHKLSA-N 2 0 355.473 3.355 20 0 FGADRP Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+][C@@H](C)CCN1CC[NH+](C)CC1 ZINC000186565945 496048903 /nfs/dbraw/zinc/04/89/03/496048903.db2.gz NCJKYKIXQFLFMC-HOTGVXAUSA-N 2 0 373.570 3.190 20 0 FGADRP Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)CC3 ZINC000180577382 496052288 /nfs/dbraw/zinc/05/22/88/496052288.db2.gz QUVUMFSWNLQUNK-MJGOQNOKSA-N 2 0 367.537 3.424 20 0 FGADRP COc1ccc(OC(F)F)c(C[NH2+]CCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000171841438 496058958 /nfs/dbraw/zinc/05/89/58/496058958.db2.gz TVBBRUROPFLDOA-GASCZTMLSA-N 2 0 372.456 3.276 20 0 FGADRP CC(C)n1cc(C[NH2+]CCCC[NH+]2CCN(Cc3ccccc3)CC2)cn1 ZINC000171840284 496059018 /nfs/dbraw/zinc/05/90/18/496059018.db2.gz UCJCUDNESBBFCW-UHFFFAOYSA-N 2 0 369.557 3.152 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)[C@@H]([NH3+])C1CCC1)c1ccc(C(F)(F)F)cc1 ZINC000580711937 505820874 /nfs/dbraw/zinc/82/08/74/505820874.db2.gz RAHKRICDPGLTBF-IRXDYDNUSA-N 2 0 371.447 3.332 20 0 FGADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@H](C)c1ccc(Br)s1 ZINC000186596291 496065033 /nfs/dbraw/zinc/06/50/33/496065033.db2.gz IPLHMCOAGBGECX-CHWSQXEVSA-N 2 0 360.365 3.187 20 0 FGADRP O=C(NC1CC[NH+](C2CCCC2)CC1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000177449223 496066295 /nfs/dbraw/zinc/06/62/95/496066295.db2.gz RKVNLVBQSCIMCH-HXUWFJFHSA-N 2 0 369.553 3.422 20 0 FGADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@H](C)c1ccccc1Br ZINC000186601327 496067084 /nfs/dbraw/zinc/06/70/84/496067084.db2.gz CWSSSWJPDSAOGA-HUUCEWRRSA-N 2 0 354.336 3.126 20 0 FGADRP CC(=O)N1CC([NH2+][C@H](CCC[NH+]2CCC(C)CC2)c2ccc(F)cc2)C1 ZINC000571820900 505821614 /nfs/dbraw/zinc/82/16/14/505821614.db2.gz YCWXUTNKKGTKRR-OAQYLSRUSA-N 2 0 361.505 3.199 20 0 FGADRP CC[C@H](C[N@H+](CC)CC(=O)NC1CC[NH+](C(C)C)CC1)c1ccccc1 ZINC000186620178 496076621 /nfs/dbraw/zinc/07/66/21/496076621.db2.gz ROPFKYGCNBFQNN-LJQANCHMSA-N 2 0 359.558 3.491 20 0 FGADRP C[NH+](Cc1ccc(C[N@@H+](C)CC2(O)CCCC2)cc1)CC1(O)CCCC1 ZINC000152253429 496095581 /nfs/dbraw/zinc/09/55/81/496095581.db2.gz PHIABDVPMWVUIX-UHFFFAOYSA-N 2 0 360.542 3.160 20 0 FGADRP CC[NH+](CC)CCOc1ccc(C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)cc1 ZINC000177542171 496105372 /nfs/dbraw/zinc/10/53/72/496105372.db2.gz MJVJIMPTIYZTSF-RTBURBONSA-N 2 0 361.530 3.010 20 0 FGADRP C[C@H]1CCCC[N@@H+]1CCCNC(=O)[C@@H]1C[NH2+]C[C@H]1c1ccc(Cl)cc1 ZINC000574647646 505823638 /nfs/dbraw/zinc/82/36/38/505823638.db2.gz MMXSIDRERGANHB-ZYSHUDEJSA-N 2 0 363.933 3.024 20 0 FGADRP C[NH+](C)CCCOc1cccc(NC(=O)c2cccc(C[NH+](C)C)c2)c1 ZINC000174795134 496109523 /nfs/dbraw/zinc/10/95/23/496109523.db2.gz VQHJZLJNJNRBGS-UHFFFAOYSA-N 2 0 355.482 3.331 20 0 FGADRP CC1CC[NH+](Cc2cccc(CNC(=O)CCC3CC[NH2+]CC3)c2)CC1 ZINC000155951642 496116112 /nfs/dbraw/zinc/11/61/12/496116112.db2.gz YVAHNRXEZASRID-UHFFFAOYSA-N 2 0 357.542 3.315 20 0 FGADRP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc(OCc2nccn2C)cc1 ZINC000152408476 496142571 /nfs/dbraw/zinc/14/25/71/496142571.db2.gz SNXNWZLJSAPHCF-IRXDYDNUSA-N 2 0 354.498 3.134 20 0 FGADRP COc1ccc([C@H](C)[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)cc1Cn1cccn1 ZINC000152458980 496158973 /nfs/dbraw/zinc/15/89/73/496158973.db2.gz ICJUMWWAKYGFRW-IRXDYDNUSA-N 2 0 354.498 3.075 20 0 FGADRP CCO[C@@H]1C[C@@H]([NH2+]Cc2ccncc2OCC[NH+](C)C)C12CCCCC2 ZINC000574671670 505828638 /nfs/dbraw/zinc/82/86/38/505828638.db2.gz OMKQPBVLEBXBMH-WOJBJXKFSA-N 2 0 361.530 3.240 20 0 FGADRP COc1ccc(C[NH2+]CCCC[NH+]2C[C@@H](C)O[C@H](C)C2)c(OC(F)F)c1 ZINC000172191875 496201746 /nfs/dbraw/zinc/20/17/46/496201746.db2.gz JCSORNDMQCKZNY-HUUCEWRRSA-N 2 0 372.456 3.276 20 0 FGADRP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)C1 ZINC000156349106 496221787 /nfs/dbraw/zinc/22/17/87/496221787.db2.gz UAHNBQHJBSNBDZ-AQNXPRMDSA-N 2 0 364.578 3.014 20 0 FGADRP CC1CC[NH+](CCCCNC(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)CC1 ZINC000156459269 496251385 /nfs/dbraw/zinc/25/13/85/496251385.db2.gz CUKROSONFKXXII-FQEVSTJZSA-N 2 0 364.578 3.158 20 0 FGADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)C1 ZINC000156474231 496256104 /nfs/dbraw/zinc/25/61/04/496256104.db2.gz VXNKCEYNMOPAOS-UXHICEINSA-N 2 0 364.578 3.158 20 0 FGADRP COc1ccc([C@@H](Cc2ccccc2)NC[C@@H](O)C[N@H+](C)C2CC2)cc1 ZINC000577989918 505835344 /nfs/dbraw/zinc/83/53/44/505835344.db2.gz YUFVWPJIVFNMST-IFMALSPDSA-N 2 0 354.494 3.024 20 0 FGADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H](C)c2cc(Br)ccc2F)CC1 ZINC000178034279 496297698 /nfs/dbraw/zinc/29/76/98/496297698.db2.gz OZGMQNCGDWPLDW-KBPBESRZSA-N 2 0 372.326 3.265 20 0 FGADRP O=C(c1ccccc1CC1CC[NH2+]CC1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000580776170 505835744 /nfs/dbraw/zinc/83/57/44/505835744.db2.gz NWSLADSHRTWPIP-OAQYLSRUSA-N 2 0 369.553 3.319 20 0 FGADRP CC(C)[NH+]1CCC(NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000175303472 496330843 /nfs/dbraw/zinc/33/08/43/496330843.db2.gz VBGDDDSDUMFXMN-GHTZIAJQSA-N 2 0 372.557 3.212 20 0 FGADRP C[NH+](C)C1CCN(CCNC(=O)Nc2cccc(SC(F)F)c2)CC1 ZINC000175326681 496341026 /nfs/dbraw/zinc/34/10/26/496341026.db2.gz VOWIFHXIQFWCLS-UHFFFAOYSA-N 2 0 372.485 3.149 20 0 FGADRP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+][C@@H]2CCO[C@@H](C3CC3)C2)CC1 ZINC000156861064 496350571 /nfs/dbraw/zinc/35/05/71/496350571.db2.gz VZLPVEPKJBXCFK-OXQOHEQNSA-N 2 0 363.933 3.139 20 0 FGADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)C1 ZINC000157095875 496404968 /nfs/dbraw/zinc/40/49/68/496404968.db2.gz FKZXHXGLOMWFIP-CTNGQTDRSA-N 2 0 372.557 3.101 20 0 FGADRP C[C@@H](Cn1cc(Br)cn1)[NH2+]CCC[N@H+](C)Cc1ccccc1 ZINC000162746722 496406795 /nfs/dbraw/zinc/40/67/95/496406795.db2.gz GIHVYWUMLBBVSR-HNNXBMFYSA-N 2 0 365.319 3.146 20 0 FGADRP Cc1nc(C)c([C@@H](C)[NH2+]CCN2CC[NH+](Cc3ccccc3)CC2)s1 ZINC000178339264 496418979 /nfs/dbraw/zinc/41/89/79/496418979.db2.gz CSQDTXMLWIBAQQ-MRXNPFEDSA-N 2 0 358.555 3.228 20 0 FGADRP CC(C)C[NH+]1CCC(NC(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2)CC1 ZINC000172770453 496423106 /nfs/dbraw/zinc/42/31/06/496423106.db2.gz PSLRKVMIPNSTJW-OAQYLSRUSA-N 2 0 357.542 3.278 20 0 FGADRP CCC[N@H+](CC)CCNC(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000175524115 496425921 /nfs/dbraw/zinc/42/59/21/496425921.db2.gz TUEFAWPTZULGGJ-SFHVURJKSA-N 2 0 360.546 3.243 20 0 FGADRP COc1ccccc1[C@H](O)C[NH2+][C@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000178445381 496459081 /nfs/dbraw/zinc/45/90/81/496459081.db2.gz BZUPFTJKTRQMBC-OXQOHEQNSA-N 2 0 358.482 3.020 20 0 FGADRP CCO[C@H]1C[C@H]([NH2+]Cc2cccnc2N2CC[NH+](C)CC2)C12CCCCC2 ZINC000181592028 496459541 /nfs/dbraw/zinc/45/95/41/496459541.db2.gz ZJOUAJKPTFNFQG-PMACEKPBSA-N 2 0 372.557 3.051 20 0 FGADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)CC(=O)N(C)Cc2ccccc2Cl)C1 ZINC000163282420 496492368 /nfs/dbraw/zinc/49/23/68/496492368.db2.gz OKLGWEJNJRVBAI-HOTGVXAUSA-N 2 0 351.922 3.008 20 0 FGADRP C[C@H](CCc1ccccc1)[NH+]1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000172984326 496509842 /nfs/dbraw/zinc/50/98/42/496509842.db2.gz PEQWYEAPNLCJEG-LJQANCHMSA-N 2 0 373.585 3.424 20 0 FGADRP CCC1(CC)[C@@H]([NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)C[C@@H]1OC ZINC000181708052 496511554 /nfs/dbraw/zinc/51/15/54/496511554.db2.gz WWJJSTAUUZSQLC-SFTDATJTSA-N 2 0 360.542 3.327 20 0 FGADRP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]C[C@](C)(O)c1ccccc1Cl ZINC000157611391 496515519 /nfs/dbraw/zinc/51/55/19/496515519.db2.gz FHIBEAMGVUETBG-LPWQTFTOSA-N 2 0 366.933 3.027 20 0 FGADRP [NH3+]CC[C@@H]1CCCN(C(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)C1 ZINC000578051228 505850014 /nfs/dbraw/zinc/85/00/14/505850014.db2.gz BVHUOMDZEFBPHW-IBGZPJMESA-N 2 0 372.557 3.333 20 0 FGADRP C[C@@H]([NH2+]C[C@H](C)CN1CC[NH+](C)CC1)c1cc(Br)ccc1F ZINC000178690789 496542135 /nfs/dbraw/zinc/54/21/35/496542135.db2.gz JQYBOCGIHHTHTI-UONOGXRCSA-N 2 0 372.326 3.122 20 0 FGADRP COc1ccc([C@H](C)[NH2+]C[C@@H](C)Cn2ccnc2C)cc1Cn1cccn1 ZINC000178704874 496545361 /nfs/dbraw/zinc/54/53/61/496545361.db2.gz XFPPTUUOAKAOHX-SJORKVTESA-N 2 0 367.497 3.432 20 0 FGADRP COC[C@@H]([NH2+]Cc1ccc(C[NH+]2CCC(C)CC2)cc1)C1CCOCC1 ZINC000187723000 496546490 /nfs/dbraw/zinc/54/64/90/496546490.db2.gz GALXQOKDCYGUNK-JOCHJYFZSA-N 2 0 360.542 3.450 20 0 FGADRP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)N2CCC(CCC[NH+](C)C)CC2)C1 ZINC000163697262 496548167 /nfs/dbraw/zinc/54/81/67/496548167.db2.gz PYORJQGAYGRWQG-FQEVSTJZSA-N 2 0 366.594 3.118 20 0 FGADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000184831742 496548815 /nfs/dbraw/zinc/54/88/15/496548815.db2.gz WSBZCAQPTKNCTH-FQEVSTJZSA-N 2 0 357.542 3.089 20 0 FGADRP C[NH+]1CCC(N(Cc2ccccc2)C(=O)NCCCC[NH+]2CCCC2)CC1 ZINC000175804424 496551623 /nfs/dbraw/zinc/55/16/23/496551623.db2.gz KUVDHWVVCQXHAO-UHFFFAOYSA-N 2 0 372.557 3.168 20 0 FGADRP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)NC[C@@H](c2cccs2)[NH+](C)C)C1 ZINC000158013754 496608895 /nfs/dbraw/zinc/60/88/95/496608895.db2.gz VJUGHGSZYDOKFO-IRXDYDNUSA-N 2 0 366.575 3.018 20 0 FGADRP C[C@H](Cn1cc(Br)cn1)[NH2+]CCCCC[NH+]1CCCCC1 ZINC000164628362 496624512 /nfs/dbraw/zinc/62/45/12/496624512.db2.gz OBLKSLRRDKHSLU-OAHLLOKOSA-N 2 0 357.340 3.280 20 0 FGADRP C[C@@H](C(=O)NCc1cccc(C[NH+]2CCCC2)c1)[C@H]([NH3+])c1ccccc1 ZINC000164728964 496629772 /nfs/dbraw/zinc/62/97/72/496629772.db2.gz OBTPWHPNACEQCL-UTKZUKDTSA-N 2 0 351.494 3.235 20 0 FGADRP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)CC3CC[NH2+]CC3)cc2)C1 ZINC000164839968 496634166 /nfs/dbraw/zinc/63/41/66/496634166.db2.gz CZWWQEDUWMFKAD-QZTJIDSGSA-N 2 0 357.542 3.170 20 0 FGADRP CSc1ccc([C@@H](C)[NH2+]Cc2ccc(N3CC[NH+](C)CC3)nc2)cc1 ZINC000173311264 496637558 /nfs/dbraw/zinc/63/75/58/496637558.db2.gz RYUCRKJELZFSSO-MRXNPFEDSA-N 2 0 356.539 3.406 20 0 FGADRP COC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C1CCOCC1 ZINC000187995891 496644743 /nfs/dbraw/zinc/64/47/43/496644743.db2.gz WYTNWNZSGXKRGJ-LQCXBHPOSA-N 2 0 358.526 3.213 20 0 FGADRP C[C@H]1C[C@@H](N(C)C(=O)NCC2([NH+]3CCCCC3)CCCCC2)CC[N@@H+]1C ZINC000173346484 496652362 /nfs/dbraw/zinc/65/23/62/496652362.db2.gz DNQBNCZFWFRYHY-OALUTQOASA-N 2 0 364.578 3.299 20 0 FGADRP C[C@H](C[NH2+][C@@H](C)CC(=O)N(C)Cc1cccc(Cl)c1)C[NH+]1CCCC1 ZINC000165265455 496653708 /nfs/dbraw/zinc/65/37/08/496653708.db2.gz OGHMMTISYAEWKM-SJORKVTESA-N 2 0 365.949 3.399 20 0 FGADRP COc1ccc([C@H](C)[NH2+]CCCC[NH+]2C[C@@H](C)O[C@H](C)C2)cc1OC ZINC000173359972 496658398 /nfs/dbraw/zinc/65/83/98/496658398.db2.gz MWELCNNOCPCGFV-ZACQAIPSSA-N 2 0 350.503 3.244 20 0 FGADRP COC[C@H]([NH2+]Cc1cc(C(F)(F)F)ccc1N1CC[NH+](C)CC1)C(C)C ZINC000165596215 496662240 /nfs/dbraw/zinc/66/22/40/496662240.db2.gz SLPDARKGPJKQDF-KRWDZBQOSA-N 2 0 373.463 3.218 20 0 FGADRP OC[C@@H](Cc1ccccc1)[NH2+]C1CCN(Cc2ccccc2Cl)CC1 ZINC000158287997 496668047 /nfs/dbraw/zinc/66/80/47/496668047.db2.gz GBTUTRVLEWBXKF-HXUWFJFHSA-N 2 0 358.913 3.498 20 0 FGADRP COc1cc(Cl)c(C)cc1NC(=O)CC[NH2+][C@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000158388990 496690625 /nfs/dbraw/zinc/69/06/25/496690625.db2.gz JIMHTPSFMVLGGK-LZWOXQAQSA-N 2 0 367.921 3.304 20 0 FGADRP COc1cc(Cl)c(C)cc1NC(=O)CC[NH2+][C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000158401315 496693963 /nfs/dbraw/zinc/69/39/63/496693963.db2.gz NZYDGJXZWLMFEH-KGLIPLIRSA-N 2 0 365.905 3.200 20 0 FGADRP COc1cc(Cl)c(C)cc1NC(=O)CC[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000158406663 496696238 /nfs/dbraw/zinc/69/62/38/496696238.db2.gz PXRITLPJUZTSRP-UHFFFAOYSA-N 2 0 367.921 3.448 20 0 FGADRP C[NH+](C)CCCOc1cccc(NC(=O)CC[C@@H]([NH3+])c2ccccc2)c1 ZINC000168764535 496712130 /nfs/dbraw/zinc/71/21/30/496712130.db2.gz HHXGOFOCGGCARD-HXUWFJFHSA-N 2 0 355.482 3.436 20 0 FGADRP C[N@@H+]1CCC[C@H]2C[NH+](CCC(=O)Nc3ccc(Cl)cc3F)CC[C@@H]21 ZINC000158495227 496712955 /nfs/dbraw/zinc/71/29/55/496712955.db2.gz IJROFDQZWVHDDC-GUYCJALGSA-N 2 0 353.869 3.224 20 0 FGADRP CCO[C@@H]1C[C@@H]([NH2+]Cc2ccccc2C[N@@H+]2CC[C@H](O)C2)C12CCCC2 ZINC000182261723 496722683 /nfs/dbraw/zinc/72/26/83/496722683.db2.gz VJMVUIVUKALUPW-PWRODBHTSA-N 2 0 358.526 3.081 20 0 FGADRP Cc1nc2c(s1)[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)CCC2 ZINC000182263309 496722731 /nfs/dbraw/zinc/72/27/31/496722731.db2.gz DITZSQBXVNUZME-ROUUACIJSA-N 2 0 357.523 3.185 20 0 FGADRP C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC000246947802 496731857 /nfs/dbraw/zinc/73/18/57/496731857.db2.gz NVXVBAHMTOABGP-AZUAARDMSA-N 2 0 357.542 3.475 20 0 FGADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H](O)COc2cccc(Cl)c2Cl)[C@@H](C)C1 ZINC000246973959 496740671 /nfs/dbraw/zinc/74/06/71/496740671.db2.gz JGZRJZKZGWXTPN-GUTXKFCHSA-N 2 0 361.313 3.053 20 0 FGADRP CC[S@](=O)[C@@H]1CCC[C@H]([NH2+][C@H](C)c2cccc(OCC[NH+](C)C)c2)C1 ZINC000247004098 496748513 /nfs/dbraw/zinc/74/85/13/496748513.db2.gz KAZLIBACXNTVAT-VNVACVKESA-N 2 0 366.571 3.357 20 0 FGADRP Cc1nc(-c2cccc(NC(=O)CN(C)[C@H]3CC[N@H+](C)[C@@H](C)C3)c2)cs1 ZINC000247024203 496755339 /nfs/dbraw/zinc/75/53/39/496755339.db2.gz UQUASWAYLVHTEE-KSSFIOAISA-N 2 0 372.538 3.472 20 0 FGADRP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000273342308 496778488 /nfs/dbraw/zinc/77/84/88/496778488.db2.gz AQIGHNXFCRKAFD-GHTZIAJQSA-N 2 0 372.557 3.195 20 0 FGADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc(OCCOC)c(OC)c2)C1 ZINC000268822931 496795857 /nfs/dbraw/zinc/79/58/57/496795857.db2.gz IAROOUYYSWSNIM-DLBZAZTESA-N 2 0 350.503 3.103 20 0 FGADRP C[NH+](C)CCCCCCC[NH2+]Cc1c(Cl)cccc1S(C)(=O)=O ZINC000273418353 496800197 /nfs/dbraw/zinc/80/01/97/496800197.db2.gz OBPOEJOHOLVAJI-UHFFFAOYSA-N 2 0 360.951 3.345 20 0 FGADRP CCOC(=O)c1csc(CC[NH2+]C2CC[NH+](C3CCCCC3)CC2)n1 ZINC000191567072 496814577 /nfs/dbraw/zinc/81/45/77/496814577.db2.gz HMMODYXYKFQKRI-UHFFFAOYSA-N 2 0 365.543 3.249 20 0 FGADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC[C@@H](CNC(=O)Nc2cccc(F)c2)C1 ZINC000247299566 496828561 /nfs/dbraw/zinc/82/85/61/496828561.db2.gz ORWSHANNEACSCJ-LPHOPBHVSA-N 2 0 362.493 3.144 20 0 FGADRP C[C@@H](CNC(=O)N1CCC[N@H+](Cc2ccccc2)C[C@H]1C)C[NH+]1CCCC1 ZINC000247325972 496835465 /nfs/dbraw/zinc/83/54/65/496835465.db2.gz XJELSTSHGXOUNL-VQTJNVASSA-N 2 0 372.557 3.024 20 0 FGADRP CCCOc1ccc([C@H](C)[NH2+]C[C@H]2CN(C)CCN2C)cc1OCCC ZINC000268960978 496836408 /nfs/dbraw/zinc/83/64/08/496836408.db2.gz XEUHEKOEVPCODO-HKUYNNGSSA-N 2 0 363.546 3.161 20 0 FGADRP C[NH+]1CCN(CCC[NH2+][C@H](Cc2ccccc2F)c2ccccc2)CC1 ZINC000191692313 496856418 /nfs/dbraw/zinc/85/64/18/496856418.db2.gz GXFCCAJIIWHKDX-JOCHJYFZSA-N 2 0 355.501 3.337 20 0 FGADRP CC[NH+]1CCN([C@H]2CC[N@@H+]([C@H](C)c3ccc(OC(F)F)cc3)C2)CC1 ZINC000264352736 496878599 /nfs/dbraw/zinc/87/85/99/496878599.db2.gz CQTWBNMYYGNLFX-WBVHZDCISA-N 2 0 353.457 3.061 20 0 FGADRP COc1ccnc(N2CC[NH+](C[C@H](C)Cc3ccc(OC)c(F)c3)CC2)c1 ZINC000569191438 505872808 /nfs/dbraw/zinc/87/28/08/505872808.db2.gz HDYPVWZWIWYJGU-MRXNPFEDSA-N 2 0 373.472 3.239 20 0 FGADRP CCCOc1ccc(C[NH2+][C@H]2CCN(Cc3ccccn3)C[C@H]2C)cn1 ZINC000247950120 496931269 /nfs/dbraw/zinc/93/12/69/496931269.db2.gz DYTVVRRMMKYAMK-XLIONFOSSA-N 2 0 354.498 3.266 20 0 FGADRP COc1ccc(CC[NH2+][C@@H]2CCN(Cc3ccccn3)C[C@@H]2C)cc1OC ZINC000248044529 496947988 /nfs/dbraw/zinc/94/79/88/496947988.db2.gz UNMJMNVICGGGIG-FXAWDEMLSA-N 2 0 369.509 3.142 20 0 FGADRP CCN(C)[C@H](C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000248054970 496948624 /nfs/dbraw/zinc/94/86/24/496948624.db2.gz YBKMQKMFLDKFJZ-VXKWHMMOSA-N 2 0 365.521 3.460 20 0 FGADRP c1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH2+]CCCO[C@H]4CCOC4)[C@H]3C2)cc1 ZINC000248411144 497000990 /nfs/dbraw/zinc/00/09/90/497000990.db2.gz YWBAAWLCCCKGRQ-CMOCDZPBSA-N 2 0 358.526 3.072 20 0 FGADRP C[C@H]([NH3+])[C@H](C)C(=O)NCCC[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000192122563 497001881 /nfs/dbraw/zinc/00/18/81/497001881.db2.gz IYVFNRPZEKXMST-OALUTQOASA-N 2 0 353.510 3.178 20 0 FGADRP COc1ccc([C@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CC[C@@H](O)C2)c(F)c1 ZINC000248461631 497020694 /nfs/dbraw/zinc/02/06/94/497020694.db2.gz XROAAMVOYQRXNZ-MAUKXSAKSA-N 2 0 358.457 3.252 20 0 FGADRP CC(=O)N(c1nc(C[NH2+]CCCC[NH+](C)C)cs1)c1ccc(F)cc1 ZINC000264994694 497028133 /nfs/dbraw/zinc/02/81/33/497028133.db2.gz XVRLPSRXNBBFCL-UHFFFAOYSA-N 2 0 364.490 3.398 20 0 FGADRP c1cc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)cc(OC2CCOCC2)n1 ZINC000574910994 505881720 /nfs/dbraw/zinc/88/17/20/505881720.db2.gz KNVUNWKUCIMRFP-SLFFLAALSA-N 2 0 359.514 3.040 20 0 FGADRP C[C@H](CCN1C(=O)c2ccccc2C1=O)[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000274395459 497087312 /nfs/dbraw/zinc/08/73/12/497087312.db2.gz FCARUVNWEXKLQL-MRXNPFEDSA-N 2 0 369.509 3.058 20 0 FGADRP Cc1cc([C@H](C)[NH2+]Cc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)c(C)o1 ZINC000278372954 497091907 /nfs/dbraw/zinc/09/19/07/497091907.db2.gz CJBJKTASECHUMM-JXFKEZNVSA-N 2 0 369.509 3.445 20 0 FGADRP C[C@@H]([NH2+]CCOCC(F)(F)C(F)F)c1ccc(OCC[NH+](C)C)cc1 ZINC000278457001 497121123 /nfs/dbraw/zinc/12/11/23/497121123.db2.gz MDTRRFKXTQGDIM-CYBMUJFWSA-N 2 0 366.399 3.195 20 0 FGADRP CC[NH+]1CCN(CCC[NH2+][C@H](C)c2cc(Cl)c(N)c(Cl)c2)CC1 ZINC000270427429 497125770 /nfs/dbraw/zinc/12/57/70/497125770.db2.gz HDJNGGDJRJGRSU-CYBMUJFWSA-N 2 0 359.345 3.254 20 0 FGADRP CC(C)[C@@H](CNC(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2)[N@@H+]1CCc2ccccc2C1 ZINC000236679557 497131319 /nfs/dbraw/zinc/13/13/19/497131319.db2.gz AUFXALHOBNEZID-DRLVYXDUSA-N 2 0 369.553 3.106 20 0 FGADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)N1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC000274632907 497134625 /nfs/dbraw/zinc/13/46/25/497134625.db2.gz OEEDZZQHXHFQKU-KRWDZBQOSA-N 2 0 357.542 3.202 20 0 FGADRP Cc1cc2c(ncnc2N2CC[NH+](CCCCn3ccnc3C)CC2)s1 ZINC000189521103 497148189 /nfs/dbraw/zinc/14/81/89/497148189.db2.gz MKGYRXGPUURUHL-UHFFFAOYSA-N 2 0 370.526 3.107 20 0 FGADRP CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)N(C)C[C@H]1CCC[NH+](C)C1 ZINC000249031351 497150820 /nfs/dbraw/zinc/15/08/20/497150820.db2.gz SPYLJGBCSHPXTL-LEWJYISDSA-N 2 0 374.573 3.126 20 0 FGADRP C[N@@H+]1CCC[C@H](CNC(=O)[C@](C)([NH3+])c2ccccc2)[C@@H]1c1cccs1 ZINC000249051801 497154006 /nfs/dbraw/zinc/15/40/06/497154006.db2.gz XRKOHLGXBLCGHV-XFQXTVEOSA-N 2 0 357.523 3.121 20 0 FGADRP CC[NH+](CC)CCC[NH2+][C@H](C)CC(=O)Nc1ccc(Br)cc1 ZINC000236854304 497157108 /nfs/dbraw/zinc/15/71/08/497157108.db2.gz DMPXEBSSMLBGPV-CQSZACIVSA-N 2 0 370.335 3.488 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)CC1CC[NH2+]CC1)c1ccccc1Cl ZINC000236874724 497161520 /nfs/dbraw/zinc/16/15/20/497161520.db2.gz ZCQIRNORKSBUET-GOSISDBHSA-N 2 0 351.922 3.229 20 0 FGADRP CC[NH+](CC)Cc1ccc(CNC(=O)[C@@H]2[NH2+]CCc3ccccc32)cc1 ZINC000236934064 497170128 /nfs/dbraw/zinc/17/01/28/497170128.db2.gz REJGETSEUXWXFN-OAQYLSRUSA-N 2 0 351.494 3.032 20 0 FGADRP CCC[N@@H+]1CC[C@@H](CNC(=O)N(CC)[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000249277245 497185905 /nfs/dbraw/zinc/18/59/05/497185905.db2.gz DPWAURXDFKGFAI-SFTDATJTSA-N 2 0 372.557 3.024 20 0 FGADRP C[N@@H+]1CCCN(CCC[NH2+]Cc2cc(Cl)ccc2OC(F)F)CC1 ZINC000237110742 497192720 /nfs/dbraw/zinc/19/27/20/497192720.db2.gz MGHUWGSGGMSYQW-UHFFFAOYSA-N 2 0 361.864 3.059 20 0 FGADRP CC(C)[NH+]1CCN(CCC[NH2+][C@H](C)c2ccc(OC(F)F)cc2)CC1 ZINC000192786376 497214035 /nfs/dbraw/zinc/21/40/35/497214035.db2.gz VCBOPEUNXXSIPD-MRXNPFEDSA-N 2 0 355.473 3.355 20 0 FGADRP C[NH2+]Cc1cccc(NC(=O)[C@H]2CCC[N@H+](Cc3cccc(F)c3)C2)c1 ZINC000237277233 497214111 /nfs/dbraw/zinc/21/41/11/497214111.db2.gz JCOMTNAPTLXNCM-SFHVURJKSA-N 2 0 355.457 3.396 20 0 FGADRP COc1cccc(C[NH2+]CCCC[NH+]2CCN(Cc3ccccc3)CC2)c1 ZINC000237371174 497227205 /nfs/dbraw/zinc/22/72/05/497227205.db2.gz TWLYXTFPYXNWQQ-UHFFFAOYSA-N 2 0 367.537 3.383 20 0 FGADRP Cc1cc(NC(=O)C[C@H](C)[C@@H]2CCC[NH2+]C2)ccc1OCC[NH+]1CCCC1 ZINC000237372486 497227833 /nfs/dbraw/zinc/22/78/33/497227833.db2.gz MSYPELXEMJVJAZ-PKOBYXMFSA-N 2 0 373.541 3.434 20 0 FGADRP C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)CCC2CC[NH2+]CC2)C1 ZINC000237472040 497241891 /nfs/dbraw/zinc/24/18/91/497241891.db2.gz KGPKPEVRWLDALT-GOSISDBHSA-N 2 0 357.542 3.315 20 0 FGADRP C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)[C@@H]([NH3+])Cc3ccccc3)cc2)C1 ZINC000237475865 497242137 /nfs/dbraw/zinc/24/21/37/497242137.db2.gz QGILKMIGPBSXKH-GCJKJVERSA-N 2 0 365.521 3.105 20 0 FGADRP COc1cc(Cl)c(C)cc1NC(=O)CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000192927870 497248696 /nfs/dbraw/zinc/24/86/96/497248696.db2.gz NJBYBIMRMRLMJN-GOOCMWNKSA-N 2 0 365.905 3.200 20 0 FGADRP c1ccc(C[N@H+]2CC[C@@H](C[NH2+]Cc3ccc(N4CCCC4)nc3)C2)cc1 ZINC000192932038 497251050 /nfs/dbraw/zinc/25/10/50/497251050.db2.gz LCNUPBRFIOJSEH-NRFANRHFSA-N 2 0 350.510 3.294 20 0 FGADRP C[C@H](CC(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1)C1CC[NH2+]CC1 ZINC000237649940 497268704 /nfs/dbraw/zinc/26/87/04/497268704.db2.gz ITPHAGZPJNCUSG-SYNHAJSKSA-N 2 0 363.571 3.273 20 0 FGADRP C[C@H](CC(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1)[C@@H]1CCC[NH2+]C1 ZINC000237659040 497270517 /nfs/dbraw/zinc/27/05/17/497270517.db2.gz QNAAXYXKQSNNMR-KZNAEPCWSA-N 2 0 363.571 3.102 20 0 FGADRP Cc1ccc([C@H](CNC(=O)CC[C@@H]([NH3+])c2ccccc2)[NH+]2CCCC2)o1 ZINC000237916319 497313882 /nfs/dbraw/zinc/31/38/82/497313882.db2.gz FRWMBHNBRPPHDN-MOPGFXCFSA-N 2 0 355.482 3.321 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1CCNC(=O)N[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000252652476 497315876 /nfs/dbraw/zinc/31/58/76/497315876.db2.gz QQEYOFYHWJIZRU-DYXWJJEUSA-N 2 0 372.557 3.213 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H](N[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C)[C@@H](C)C1 ZINC000252695968 497317756 /nfs/dbraw/zinc/31/77/56/497317756.db2.gz AZVFMPRMALJRAY-BAMDZGJYSA-N 2 0 373.585 3.234 20 0 FGADRP O=C(Nc1ccc(CC[NH+]2CCSCC2)cc1)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000237968509 497321604 /nfs/dbraw/zinc/32/16/04/497321604.db2.gz RAJSUEHUAKSNKV-HOJAQTOUSA-N 2 0 373.566 3.137 20 0 FGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCC(=O)Nc2ccccc2C)[C@@H](C)C1 ZINC000253296758 497325815 /nfs/dbraw/zinc/32/58/15/497325815.db2.gz TYMHBKQFMPPDFV-RBUKOAKNSA-N 2 0 361.530 3.050 20 0 FGADRP c1cc(CCC[NH2+]CC2(N3CCCCC3)CCOCC2)cc2c1OCC2 ZINC000193309629 497346028 /nfs/dbraw/zinc/34/60/28/497346028.db2.gz AVQCCLAFZGZNRI-UHFFFAOYSA-N 2 0 358.526 3.179 20 0 FGADRP C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)NCCC[NH+](C)C1CCCCC1 ZINC000255958748 497381676 /nfs/dbraw/zinc/38/16/76/497381676.db2.gz NKVGAFZQYVAJME-ZWKOTPCHSA-N 2 0 352.567 3.061 20 0 FGADRP C[NH+](C)CCNC(=O)c1ccc(C[NH2+][C@@H]2CCCc3sccc32)cc1 ZINC000271556864 497381830 /nfs/dbraw/zinc/38/18/30/497381830.db2.gz WXZZXUUJCGYJRA-GOSISDBHSA-N 2 0 357.523 3.207 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)CC(=O)Nc2cccc(C(F)(F)F)c2)[C@@H](C)C1 ZINC000245426320 497399725 /nfs/dbraw/zinc/39/97/25/497399725.db2.gz LFWYIVGPKRMJCY-BBRMVZONSA-N 2 0 357.420 3.306 20 0 FGADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCCCCn2nnc(-c3ccccc3)n2)[C@@H](C)C1 ZINC000245432603 497402800 /nfs/dbraw/zinc/40/28/00/497402800.db2.gz OSIHHLKGPFCWEK-AZUAARDMSA-N 2 0 370.545 3.173 20 0 FGADRP C[C@H](C(=O)Nc1cccc2ncccc21)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000245443334 497410141 /nfs/dbraw/zinc/41/01/41/497410141.db2.gz IRSNYNKAEYNOOJ-IAGOWNOFSA-N 2 0 354.498 3.368 20 0 FGADRP C[NH+](C)CCNC(=O)c1cccc(C[NH2+][C@H](c2ccc(F)cc2)C2CC2)c1 ZINC000271707728 497424558 /nfs/dbraw/zinc/42/45/58/497424558.db2.gz MIYVOUFUZRJQBP-NRFANRHFSA-N 2 0 369.484 3.358 20 0 FGADRP C[N@H+]1CC=C(C[NH2+]Cc2cn(Cc3ccccc3)nc2-c2cccnc2)CC1 ZINC000271771885 497444237 /nfs/dbraw/zinc/44/42/37/497444237.db2.gz BUGHSHKOAFPMNF-UHFFFAOYSA-N 2 0 373.504 3.345 20 0 FGADRP C[NH2+]CCc1ccccc1C(=O)N[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261754401 497445715 /nfs/dbraw/zinc/44/57/15/497445715.db2.gz NGPBVFHUCFETES-RXVVDRJESA-N 2 0 365.521 3.089 20 0 FGADRP C[N@H+]1CC=C(C[NH2+]Cc2cccc3c2N(C(=O)OC(C)(C)C)CC3)CC1 ZINC000271803105 497455098 /nfs/dbraw/zinc/45/50/98/497455098.db2.gz JJBQAUDAJGSDEM-UHFFFAOYSA-N 2 0 357.498 3.336 20 0 FGADRP C[NH+](C)CC1CCN(c2ccc(NC(=O)C34CCC[NH+]3CCC4)cc2)CC1 ZINC000279526026 497462685 /nfs/dbraw/zinc/46/26/85/497462685.db2.gz VOBNGPKRTKDGCZ-UHFFFAOYSA-N 2 0 370.541 3.032 20 0 FGADRP CC[NH+](CC)CCOc1ccc(C[NH2+][C@@H](c2nccn2C)C2CC2)cc1 ZINC000271835267 497464992 /nfs/dbraw/zinc/46/49/92/497464992.db2.gz RXXXFSQNWLENMJ-HXUWFJFHSA-N 2 0 356.514 3.382 20 0 FGADRP Cc1ccc(COc2ccc(C[N@@H+]3CC[C@@H](N4CC[NH2+]CC4)C3)cc2)cc1 ZINC000262092335 497507005 /nfs/dbraw/zinc/50/70/05/497507005.db2.gz HGHAWZHSTFDSFK-JOCHJYFZSA-N 2 0 365.521 3.054 20 0 FGADRP C[C@@H]1CC[N@H+](CC(=O)N2c3ccccc3CC[C@H]2C)C[C@@H]1n1ccnc1 ZINC000245706984 497511299 /nfs/dbraw/zinc/51/12/99/497511299.db2.gz SFCNCYKKBPSQIB-HLIPFELVSA-N 2 0 352.482 3.134 20 0 FGADRP CC(C)Oc1ccc2ccccc2c1C[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000262161710 497518032 /nfs/dbraw/zinc/51/80/32/497518032.db2.gz STANAVYUURTDOO-LJQANCHMSA-N 2 0 353.510 3.107 20 0 FGADRP CN(C(=O)Cc1cccs1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000245737391 497521850 /nfs/dbraw/zinc/52/18/50/497521850.db2.gz UAIBWFFDOJGMED-RTBURBONSA-N 2 0 363.571 3.086 20 0 FGADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H](C)c2cc(Br)cs2)CC1 ZINC000193972781 497536358 /nfs/dbraw/zinc/53/63/58/497536358.db2.gz ZOFODQBOPOIJNI-CHWSQXEVSA-N 2 0 360.365 3.187 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)[C@@H](C)C1C[NH2+]C1)c1ccc(C(F)(F)F)cc1 ZINC000262378332 497546960 /nfs/dbraw/zinc/54/69/60/497546960.db2.gz MRIOSSFNYYZOPT-SUMWQHHRSA-N 2 0 371.447 3.060 20 0 FGADRP CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)N1CCC(C[N@H+](C)C(C)C)CC1 ZINC000578321372 505913492 /nfs/dbraw/zinc/91/34/92/505913492.db2.gz OSHFVCVNQYSAMR-FQEVSTJZSA-N 2 0 366.594 3.259 20 0 FGADRP C([NH2+][C@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)[C@H]1CC[C@@H](c2nc(C3CC3)no2)O1 ZINC000569349580 505914921 /nfs/dbraw/zinc/91/49/21/505914921.db2.gz PKAPVBSJMFLQAQ-WKULXVSPSA-N 2 0 360.502 3.068 20 0 FGADRP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000245924294 497573661 /nfs/dbraw/zinc/57/36/61/497573661.db2.gz NJWDBKBTVHVSFV-VQTJNVASSA-N 2 0 364.578 3.301 20 0 FGADRP COc1cccc(C[NH2+]CCCC[NH+]2CCN(c3cccc(C)c3)CC2)n1 ZINC000190732468 497588584 /nfs/dbraw/zinc/58/85/84/497588584.db2.gz WUQWVJQRHIONDR-UHFFFAOYSA-N 2 0 368.525 3.091 20 0 FGADRP C[C@H](C(=O)Nc1ccccc1NC1CC[NH+](C)CC1)[C@@H]([NH3+])c1ccccc1 ZINC000262644800 497589533 /nfs/dbraw/zinc/58/95/33/497589533.db2.gz NEKRLOBZYJXFNF-HRAATJIYSA-N 2 0 366.509 3.467 20 0 FGADRP C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)CC[N@@H+]1Cc1ccccc1 ZINC000262646417 497591004 /nfs/dbraw/zinc/59/10/04/497591004.db2.gz OHKAUDZTXLFGCK-PBASOCQRSA-N 2 0 355.526 3.030 20 0 FGADRP C[C@@H]1CCC[N@H+](Cc2ccc(C[NH2+]CCC(=O)Nc3cccnc3)cc2)C1 ZINC000572216812 505916378 /nfs/dbraw/zinc/91/63/78/505916378.db2.gz RFCNBTMAKNTTBO-GOSISDBHSA-N 2 0 366.509 3.432 20 0 FGADRP CCN(CC1CCN(c2ccccn2)CC1)C(=O)[C@](C)([NH3+])c1ccccc1 ZINC000262774155 497618616 /nfs/dbraw/zinc/61/86/16/497618616.db2.gz JSFWIYVSUXGQBO-JOCHJYFZSA-N 2 0 366.509 3.021 20 0 FGADRP COC(=O)c1cc(C[NH2+]Cc2ccccc2C[N@H+](C)Cc2ccco2)c[nH]1 ZINC000267811963 497622528 /nfs/dbraw/zinc/62/25/28/497622528.db2.gz NREUSQRIWQFNCK-UHFFFAOYSA-N 2 0 367.449 3.316 20 0 FGADRP CC[C@H]([NH2+]C1CCN([C@H](C)c2ccncc2)CC1)C1(C(=O)OC)CCC1 ZINC000272447210 497631128 /nfs/dbraw/zinc/63/11/28/497631128.db2.gz FPFCTQYXFNFSKT-APWZRJJASA-N 2 0 359.514 3.319 20 0 FGADRP C[NH+](C)[C@@]1(CN[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CCSC1 ZINC000272467434 497637000 /nfs/dbraw/zinc/63/70/00/497637000.db2.gz ZUVIUEGWZWIPTE-PLACYPQZSA-N 2 0 359.583 3.209 20 0 FGADRP Cc1cccc(NC[C@@H]2CC[N@@H+]([C@H](C)C(=O)N[C@@H]3CCCC[C@H]3C)C2)[nH+]1 ZINC000246205875 497660024 /nfs/dbraw/zinc/66/00/24/497660024.db2.gz YJULRJAQAYRRLK-OQIJWPOYSA-N 2 0 358.530 3.207 20 0 FGADRP Cc1cc(NC(=O)[C@@H]2CCCC[C@]2(C)[NH3+])ccc1OCC[NH+]1CCCC1 ZINC000262948999 497664496 /nfs/dbraw/zinc/66/44/96/497664496.db2.gz JJAXZLMIDKTYCR-RXVVDRJESA-N 2 0 359.514 3.316 20 0 FGADRP C[C@@H]([NH2+]Cc1cccc(C(=O)N(C)C)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272586064 497671151 /nfs/dbraw/zinc/67/11/51/497671151.db2.gz WSBJXCRWSOTLPH-XMSQKQJNSA-N 2 0 365.521 3.389 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)NC1CC[NH+](C(C)(C)C)CC1)c1ccco1 ZINC000194480761 497681692 /nfs/dbraw/zinc/68/16/92/497681692.db2.gz LMKUTJBKRDRMME-KRWDZBQOSA-N 2 0 364.534 3.225 20 0 FGADRP Cc1noc(CCC[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)n1 ZINC000272667988 497696889 /nfs/dbraw/zinc/69/68/89/497696889.db2.gz JNYLBXPIINAFQZ-VAMGGRTRSA-N 2 0 354.498 3.201 20 0 FGADRP CCOC(=O)N1CCC([NH2+][C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000272695294 497703686 /nfs/dbraw/zinc/70/36/86/497703686.db2.gz XPXJXPKWYYMKLA-HKUYNNGSSA-N 2 0 359.514 3.108 20 0 FGADRP CC[NH+](CC)CCOC1CC[NH+](Cc2ccc(OC)c(OC)c2C)CC1 ZINC000578369016 505924692 /nfs/dbraw/zinc/92/46/92/505924692.db2.gz QCAQAILDBBQJLI-UHFFFAOYSA-N 2 0 364.530 3.335 20 0 FGADRP C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)c2ccccc2CC[NH3+])CC1 ZINC000578373299 505925218 /nfs/dbraw/zinc/92/52/18/505925218.db2.gz KRNJEHIDQOJPKQ-UHFFFAOYSA-N 2 0 365.521 3.172 20 0 FGADRP CC[NH+](CC)[C@H](C)CNC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000246434027 497733832 /nfs/dbraw/zinc/73/38/32/497733832.db2.gz HDSLNCVXMCLCNU-NLWGTHIKSA-N 2 0 360.546 3.069 20 0 FGADRP CCN(CC1CCN(c2ccccn2)CC1)C(=O)[C@@H]1CCCC[C@@]1(C)[NH3+] ZINC000263237890 497739525 /nfs/dbraw/zinc/73/95/25/497739525.db2.gz OHDKDCFKKXMRAB-GHTZIAJQSA-N 2 0 358.530 3.054 20 0 FGADRP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@H]1CCCC[C@]1(C)[NH3+] ZINC000263263931 497744937 /nfs/dbraw/zinc/74/49/37/497744937.db2.gz RHTMMHHYOYBKMY-SJBKTWHCSA-N 2 0 357.542 3.265 20 0 FGADRP C[C@H](C(=O)NCc1ccc(Cl)cc1)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000194733542 497752885 /nfs/dbraw/zinc/75/28/85/497752885.db2.gz GDZMCNANEFTNTO-MRXNPFEDSA-N 2 0 363.933 3.153 20 0 FGADRP C[C@H](C(=O)Nc1ccccc1)[NH+]1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000246496117 497753462 /nfs/dbraw/zinc/75/34/62/497753462.db2.gz YVIRHWMHJLYMJE-GUDVDZBRSA-N 2 0 373.541 3.225 20 0 FGADRP CCN(Cc1ccccc1)C(=O)[C@@H](C)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000194739995 497755460 /nfs/dbraw/zinc/75/54/60/497755460.db2.gz UWNKLQCXUIGQBK-LJQANCHMSA-N 2 0 357.542 3.231 20 0 FGADRP Cc1cc(C)c(NC(=O)CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c(C)c1 ZINC000246506745 497757581 /nfs/dbraw/zinc/75/75/81/497757581.db2.gz HZOHTDBJMJRVQM-AZUAARDMSA-N 2 0 355.526 3.499 20 0 FGADRP CC1CC[NH+](C2CCC(NC(=O)N(C)[C@H]3CC[N@H+](C)[C@@H](C)C3)CC2)CC1 ZINC000246667872 497797651 /nfs/dbraw/zinc/79/76/51/497797651.db2.gz UVSZMWGZJIXJGP-FVELJTHGSA-N 2 0 364.578 3.154 20 0 FGADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000246790054 497811146 /nfs/dbraw/zinc/81/11/46/497811146.db2.gz AHSQFHHVUJLJDO-WIYYLYMNSA-N 2 0 372.557 3.386 20 0 FGADRP CCCC[N@H+](C)CC1CCN(C(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000246857444 497816912 /nfs/dbraw/zinc/81/69/12/497816912.db2.gz CLIIRWFWFGKLMN-RBUKOAKNSA-N 2 0 352.567 3.013 20 0 FGADRP C[C@H](OC[C@H](O)C[NH2+]C1CCC(C[NH+](C)C)CC1)c1ccc(Cl)cc1 ZINC000572274673 505931428 /nfs/dbraw/zinc/93/14/28/505931428.db2.gz KQBPJQCQIUAKJC-GFBXMDILSA-N 2 0 368.949 3.489 20 0 FGADRP C[N@@H+]1CCC[C@H](CNC(=O)c2coc(C[NH3+])c2)[C@H]1c1cccc(Cl)c1 ZINC000364218688 497845640 /nfs/dbraw/zinc/84/56/40/497845640.db2.gz XBJYPFVKQAUTKS-RDTXWAMCSA-N 2 0 361.873 3.205 20 0 FGADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+][C@H]1CCc2nc(-c3ccc(F)cc3F)cn2C1 ZINC000575242585 505950070 /nfs/dbraw/zinc/95/00/70/505950070.db2.gz VFXZGOCMBSCHLH-QGTPRVQTSA-N 2 0 360.452 3.393 20 0 FGADRP c1[nH]nc(-c2ccc3c(c2)OCCO3)c1C[NH2+]CCCCC[NH+]1CCCC1 ZINC000569506930 505951126 /nfs/dbraw/zinc/95/11/26/505951126.db2.gz BQQYJHOWEVYDIV-UHFFFAOYSA-N 2 0 370.497 3.204 20 0 FGADRP Cc1sc2nc(CN3CCCC3)nc(NC[C@H]3CCC[N@H+]3C)c2c1C ZINC000301090142 497946827 /nfs/dbraw/zinc/94/68/27/497946827.db2.gz FJUBIEUTXKUJQL-OAHLLOKOSA-N 2 0 359.543 3.410 20 0 FGADRP C[C@@H]1C[C@H](NC(=O)NCc2ccccc2C[NH+]2CCCCCC2)CC[NH2+]1 ZINC000572381062 505955084 /nfs/dbraw/zinc/95/50/84/505955084.db2.gz SJKKWRCKHCGWOT-YLJYHZDGSA-N 2 0 358.530 3.002 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)[C@H]([NH3+])c1ccccc1C)c1cccc(OC)c1 ZINC000581307919 505957352 /nfs/dbraw/zinc/95/73/52/505957352.db2.gz LLLPRAYEWCNPFB-NHCUHLMSSA-N 2 0 369.509 3.203 20 0 FGADRP CC(C)[C@@H]1OCCC[C@@H]1Nc1nccc(N2CCC3(CCC[N@@H+]3C)CC2)n1 ZINC000330112679 498026207 /nfs/dbraw/zinc/02/62/07/498026207.db2.gz CEUQHCFCKNSVSW-HKUYNNGSSA-N 2 0 373.545 3.157 20 0 FGADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]Cc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000581364228 505971746 /nfs/dbraw/zinc/97/17/46/505971746.db2.gz LFJRCOWHXKERLD-PEVTXAFISA-N 2 0 359.558 3.006 20 0 FGADRP CCN(CC)[C@@H](c1nc([C@H]2CN(C(C)C)CCO2)no1)c1ccccc1 ZINC000285461617 498093344 /nfs/dbraw/zinc/09/33/44/498093344.db2.gz QSHWMNSLPLANLY-QZTJIDSGSA-N 2 0 358.486 3.283 20 0 FGADRP CC(C)c1ccc([C@@H]([NH3+])CNC(=O)N2CC[N@@H+]([C@H]3C[C@H]3C)C[C@H](C)C2)cc1 ZINC000581419210 505984883 /nfs/dbraw/zinc/98/48/83/505984883.db2.gz NTGHGVPRCCNGSH-JWWGGVBKSA-N 2 0 372.557 3.182 20 0 FGADRP Cc1noc(C2CCC([NH2+]Cc3ccccc3Cn3ccnc3)CC2)n1 ZINC000292840114 498165994 /nfs/dbraw/zinc/16/59/94/498165994.db2.gz CEEHFXUXXNZSFJ-UHFFFAOYSA-N 2 0 351.454 3.439 20 0 FGADRP COc1ccc(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)c(F)c1 ZINC000572531682 505990964 /nfs/dbraw/zinc/99/09/64/505990964.db2.gz GBRYSRJACHOBQJ-UHFFFAOYSA-N 2 0 350.478 3.159 20 0 FGADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)Nc2cccc3c2CC[NH2+]C3)C1 ZINC000575731785 505993638 /nfs/dbraw/zinc/99/36/38/505993638.db2.gz RJGUEMRSNCHLNN-MRXNPFEDSA-N 2 0 358.530 3.354 20 0 FGADRP CC1CC[NH+](CCc2cccc(NC(=O)NC[C@@H]3CC[N@H+](C)C3)c2)CC1 ZINC000296808717 498204081 /nfs/dbraw/zinc/20/40/81/498204081.db2.gz INWNKTHTUASLAO-IBGZPJMESA-N 2 0 358.530 3.034 20 0 FGADRP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]C[C@@H]2CN4CCCC[C@H]4CO2)C3)cc1 ZINC000364927845 498213443 /nfs/dbraw/zinc/21/34/43/498213443.db2.gz CPJHCUNSNJGAHV-MFKCLSPESA-N 2 0 369.553 3.025 20 0 FGADRP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+]Cc1ccc(Sc2ccccn2)o1 ZINC000292968918 498216310 /nfs/dbraw/zinc/21/63/10/498216310.db2.gz LALIUYDDLGGEEO-INIZCTEOSA-N 2 0 361.511 3.152 20 0 FGADRP C[C@H]([NH2+][C@H]1CCO[C@@H]1c1cccnc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000289686297 498248737 /nfs/dbraw/zinc/24/87/37/498248737.db2.gz ZXRYZPIIIXMHTM-AGOPTVSRSA-N 2 0 351.494 3.412 20 0 FGADRP COC(=O)c1csc([C@H](C)[NH2+]Cc2ccccc2OCC[NH+](C)C)c1 ZINC000286007856 498266733 /nfs/dbraw/zinc/26/67/33/498266733.db2.gz JAEKQFOYQXHDBL-AWEZNQCLSA-N 2 0 362.495 3.326 20 0 FGADRP OC1CC[NH+](Cc2ccc(C[NH2+][C@@H]3CCCC[C@@H]3[C@H]3CCOC3)cc2)CC1 ZINC000365070832 498283221 /nfs/dbraw/zinc/28/32/21/498283221.db2.gz YOAIXMJEHGKXAG-MDNUFGMLSA-N 2 0 372.553 3.328 20 0 FGADRP COc1ccccc1-n1nccc1C[NH2+]Cc1cccc(C[NH+](C)C)c1 ZINC000281828840 498284256 /nfs/dbraw/zinc/28/42/56/498284256.db2.gz XCRNPJGDGNECCR-UHFFFAOYSA-N 2 0 350.466 3.232 20 0 FGADRP C[C@H]1C[C@@H](NC(=O)N(C)CCC[NH+]2CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000281867239 498297382 /nfs/dbraw/zinc/29/73/82/498297382.db2.gz MDAKJIORWVIRGM-FPOVZHCZSA-N 2 0 372.557 3.167 20 0 FGADRP C[NH+](C)C1(CNC(=O)c2ccccc2CC2CC[NH2+]CC2)CCCCC1 ZINC000578750500 506011926 /nfs/dbraw/zinc/01/19/26/506011926.db2.gz MZJFQVUEDNCZEA-UHFFFAOYSA-N 2 0 357.542 3.223 20 0 FGADRP CCC[NH+]1CCN(C(=O)Nc2cccc(-c3ncc4n3CCCC4)c2)CC1 ZINC000575848442 506017434 /nfs/dbraw/zinc/01/74/34/506017434.db2.gz VDOTWLAZEGSNEV-UHFFFAOYSA-N 2 0 367.497 3.446 20 0 FGADRP CC[NH+]1CCN(Cc2ccccc2C[NH2+]Cc2ccc(OC)cc2F)CC1 ZINC000572651078 506020901 /nfs/dbraw/zinc/02/09/01/506020901.db2.gz LURZQZREJKWNMX-UHFFFAOYSA-N 2 0 371.500 3.262 20 0 FGADRP Cc1nc2c(c(N3CCC([NH2+]CCOc4ccccc4)CC3)n1)CCCC2 ZINC000302031389 498376272 /nfs/dbraw/zinc/37/62/72/498376272.db2.gz CEKGEOOCIHXJIA-UHFFFAOYSA-N 2 0 366.509 3.301 20 0 FGADRP O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CCc2c1cccc2C[NH+]1CCCC1 ZINC000361710208 498421438 /nfs/dbraw/zinc/42/14/38/498421438.db2.gz FZNHSJANVBECPR-JLYLLQBASA-N 2 0 353.510 3.092 20 0 FGADRP C[C@@H](C(=O)NC1CC[NH+](Cc2ccsc2)CC1)[C@H]([NH3+])c1ccccc1 ZINC000361723455 498423862 /nfs/dbraw/zinc/42/38/62/498423862.db2.gz QCPZNHJCUUUMAA-BEFAXECRSA-N 2 0 357.523 3.165 20 0 FGADRP COCc1ccccc1NC(=[NH2+])NC[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000361785049 498431644 /nfs/dbraw/zinc/43/16/44/498431644.db2.gz RDKJJNRZPUBEPU-SFHVURJKSA-N 2 0 367.497 3.076 20 0 FGADRP C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000286571451 498439587 /nfs/dbraw/zinc/43/95/87/498439587.db2.gz XOZPDEDULQAXJT-RXVVDRJESA-N 2 0 370.541 3.051 20 0 FGADRP COc1ccc2c(c1F)CC[C@@H]2[NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000290192129 498459137 /nfs/dbraw/zinc/45/91/37/498459137.db2.gz FZKXOLVUANPPJE-PXNSSMCTSA-N 2 0 370.468 3.178 20 0 FGADRP CC1CC[NH+](C2CCC(NC(=O)NC[C@@H]3[NH2+]CCCC3(C)C)CC2)CC1 ZINC000572738176 506040974 /nfs/dbraw/zinc/04/09/74/506040974.db2.gz HLTCPZWJGXSURM-ACBHZAAOSA-N 2 0 364.578 3.107 20 0 FGADRP CCc1cccc(OC[C@H](O)C[NH2+]C2CC[NH+](C3CCCCC3)CC2)c1 ZINC000569920035 506047361 /nfs/dbraw/zinc/04/73/61/506047361.db2.gz CRHJIVHKSVYNFC-OAQYLSRUSA-N 2 0 360.542 3.375 20 0 FGADRP CCCCn1cc(C[NH2+]C[C@H](O)Cn2cnc3cc(C)c(C)cc32)c(C)n1 ZINC000569921495 506047783 /nfs/dbraw/zinc/04/77/83/506047783.db2.gz VHXQZIWENYZAEN-IBGZPJMESA-N 2 0 369.513 3.109 20 0 FGADRP CC(C)c1ccccc1NC(=O)C[C@@H](C)[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000282516558 498542396 /nfs/dbraw/zinc/54/23/96/498542396.db2.gz ZJDUMNJBLYLPCS-GOSISDBHSA-N 2 0 374.573 3.143 20 0 FGADRP C[C@@H]([NH3+])[C@H]1CCN(C(=O)NCc2ccccc2C[N@H+](C)C2CCCCC2)C1 ZINC000581715382 506051781 /nfs/dbraw/zinc/05/17/81/506051781.db2.gz YDXOWFBUWRZGOV-MJGOQNOKSA-N 2 0 372.557 3.330 20 0 FGADRP Brc1ccn2cc(CN3CCC(n4ccnc4)CC3)nc2c1 ZINC000290470877 498564433 /nfs/dbraw/zinc/56/44/33/498564433.db2.gz QFZKFEMDGJNISO-UHFFFAOYSA-N 2 0 360.259 3.130 20 0 FGADRP C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000287042840 498603697 /nfs/dbraw/zinc/60/36/97/498603697.db2.gz IXLYJIDQOMXKBT-NQIIRXRSSA-N 2 0 355.526 3.371 20 0 FGADRP C[C@@]1(CNC(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)CCC[NH2+]C1 ZINC000578966500 506063077 /nfs/dbraw/zinc/06/30/77/506063077.db2.gz DVCVGHSGSIGGKS-OAQYLSRUSA-N 2 0 358.530 3.226 20 0 FGADRP Cc1cc(Br)cn2c(C[N@H+](C)CCCn3ccnc3)cnc12 ZINC000290620462 498621290 /nfs/dbraw/zinc/62/12/90/498621290.db2.gz XEFQLQNJIUYWPN-UHFFFAOYSA-N 2 0 362.275 3.124 20 0 FGADRP CN(C(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000287117034 498634701 /nfs/dbraw/zinc/63/47/01/498634701.db2.gz LRPMOMHQKDVHLV-JGUMPVPUSA-N 2 0 370.541 3.090 20 0 FGADRP C[C@@H](CNC(=O)NCCCC[N@@H+]1CCCC[C@H]1C)[NH+]1CCC(C)CC1 ZINC000302959681 498635236 /nfs/dbraw/zinc/63/52/36/498635236.db2.gz FUVKUXWZVYJIGW-MOPGFXCFSA-N 2 0 352.567 3.061 20 0 FGADRP COc1ccc(-c2cnc(C[NH+]3CCC([C@@H]4C[C@H]([NH3+])CCO4)CC3)o2)cc1 ZINC000578983776 506067213 /nfs/dbraw/zinc/06/72/13/506067213.db2.gz PFBCEIAMUKCKHY-MJGOQNOKSA-N 2 0 371.481 3.069 20 0 FGADRP C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000298046132 498649062 /nfs/dbraw/zinc/64/90/62/498649062.db2.gz IBFPQUSDUUMSQR-APWZRJJASA-N 2 0 374.529 3.286 20 0 FGADRP C[C@@H]([NH3+])C[C@H](C)NC(=O)Nc1cc(Cl)ccc1OC1CC[NH+](C)CC1 ZINC000581824493 506068292 /nfs/dbraw/zinc/06/82/92/506068292.db2.gz MULHUJFFPFNEEX-OLZOCXBDSA-N 2 0 368.909 3.060 20 0 FGADRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)C1 ZINC000303277910 498660448 /nfs/dbraw/zinc/66/04/48/498660448.db2.gz SXFIKRNKGYQEOF-RTBURBONSA-N 2 0 364.578 3.157 20 0 FGADRP Cc1nc2ccccc2n1CCCCC[NH+]1CCN(c2ncc[nH]2)CC1 ZINC000579000864 506071707 /nfs/dbraw/zinc/07/17/07/506071707.db2.gz MUDKURODSZFGKX-UHFFFAOYSA-N 3 0 352.486 3.060 20 0 FGADRP CCOCCC1(C[NH2+][C@@H]2CC[N@H+](C[C@H]3CCCO3)C[C@H]2C)CCCC1 ZINC000363158012 498678893 /nfs/dbraw/zinc/67/88/93/498678893.db2.gz RHIIINRKGCXFRI-VAMGGRTRSA-N 2 0 352.563 3.452 20 0 FGADRP O=C(N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2)C12CCC[NH+]1CCC2 ZINC000294402089 498683909 /nfs/dbraw/zinc/68/39/09/498683909.db2.gz DWUSLEOWAZNAOE-UHFFFAOYSA-N 2 0 367.537 3.130 20 0 FGADRP COc1ccc([C@@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H]2CO)cc1O ZINC000290819172 498689180 /nfs/dbraw/zinc/68/91/80/498689180.db2.gz WWKDBELBKWNXEQ-UZLBHIALSA-N 2 0 370.493 3.208 20 0 FGADRP C[NH+]1CCC(CC(=O)N2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)CC1 ZINC000294472036 498703606 /nfs/dbraw/zinc/70/36/06/498703606.db2.gz IREPAIQFLYVYSZ-UHFFFAOYSA-N 2 0 369.553 3.233 20 0 FGADRP C[C@@H]1c2ccccc2O[C@@H]1C[NH2+][C@@H]1CCN(Cc2ccccn2)C[C@@H]1C ZINC000366018202 498735139 /nfs/dbraw/zinc/73/51/39/498735139.db2.gz SLKITSPPJWVFJA-VTAPXXACSA-N 2 0 351.494 3.446 20 0 FGADRP FC(F)(F)c1ccc(-c2noc(C[N@H+]3CC[C@H]4C[NH2+]C[C@H]4CC3)n2)cc1 ZINC000581884874 506082217 /nfs/dbraw/zinc/08/22/17/506082217.db2.gz KDSXEYFKMKNQOD-OKILXGFUSA-N 2 0 366.387 3.187 20 0 FGADRP Cc1cnn([C@@H]2CC[N@@H+](Cc3ccccc3N(C)C3CC[NH+](C)CC3)C2)c1 ZINC000290987827 498746235 /nfs/dbraw/zinc/74/62/35/498746235.db2.gz USVWJPFLBLFAAI-OAQYLSRUSA-N 2 0 367.541 3.169 20 0 FGADRP COc1ccc(C[NH2+][C@H](C)Cn2ccnc2)cc1OCc1cccnc1 ZINC000298427995 498768144 /nfs/dbraw/zinc/76/81/44/498768144.db2.gz UULSBJXEYKEOHW-MRXNPFEDSA-N 2 0 352.438 3.044 20 0 FGADRP Cn1nccc1[C@@H]1CCC[C@H]([NH2+]Cc2ccccc2OCC[NH+](C)C)C1 ZINC000366088530 498769242 /nfs/dbraw/zinc/76/92/42/498769242.db2.gz JJUWAWXORPHFQK-MJGOQNOKSA-N 2 0 356.514 3.177 20 0 FGADRP C[C@@H]1C[C@H](NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000291113145 498801472 /nfs/dbraw/zinc/80/14/72/498801472.db2.gz KOIBLAPAZFMQTC-RLLPEYFOSA-N 2 0 371.569 3.007 20 0 FGADRP Cc1ccc([C@@H](CNC(=O)c2ccc(CC[NH+](C)C)cc2)[NH+]2CCCC2)o1 ZINC000576180726 506095290 /nfs/dbraw/zinc/09/52/90/506095290.db2.gz MXXJJGBQWCSQOO-HXUWFJFHSA-N 2 0 369.509 3.259 20 0 FGADRP C[C@H]([NH2+]Cc1ccc(F)c(C[NH+](C)C)c1)c1cccc(-n2ccnn2)c1 ZINC000287595743 498807411 /nfs/dbraw/zinc/80/74/11/498807411.db2.gz IHUFCLARDKXUEJ-HNNXBMFYSA-N 2 0 353.445 3.319 20 0 FGADRP CC[NH+]1CCC(C[NH2+]C[C@H](O)COc2cc(Cl)ccc2Cl)CC1 ZINC000321412763 498812864 /nfs/dbraw/zinc/81/28/64/498812864.db2.gz BMXDVMMVBXLVDM-HNNXBMFYSA-N 2 0 361.313 3.055 20 0 FGADRP C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)C[NH2+]CC2CC2)cc1 ZINC000579118613 506098272 /nfs/dbraw/zinc/09/82/72/506098272.db2.gz GCLIGOHELBHJRN-UHFFFAOYSA-N 2 0 351.494 3.031 20 0 FGADRP C[N@@H+]1CC[C@@H](CNC(=O)[C@@H]([NH3+])Cc2ccccc2)[C@@H]1c1cccc(Cl)c1 ZINC000366326773 498876507 /nfs/dbraw/zinc/87/65/07/498876507.db2.gz FTOLKAHZQXASPJ-IHPCNDPISA-N 2 0 371.912 3.019 20 0 FGADRP C[C@@H](NCc1ncc(C(F)(F)F)cn1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000295040326 498888893 /nfs/dbraw/zinc/88/88/93/498888893.db2.gz ORURJRCVTKOSTA-ZBFHGGJFSA-N 2 0 364.415 3.496 20 0 FGADRP CCOc1ccccc1C[NH2+]CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000363659905 498928997 /nfs/dbraw/zinc/92/89/97/498928997.db2.gz BZKWGIKMMAVJJF-UHFFFAOYSA-N 2 0 359.558 3.371 20 0 FGADRP CN1CCC([NH+]2CCC(CC[NH2+]Cc3ccc(F)cc3F)CC2)CC1 ZINC000363660216 498929478 /nfs/dbraw/zinc/92/94/78/498929478.db2.gz CZNZIUYAKJFYGN-UHFFFAOYSA-N 2 0 351.485 3.251 20 0 FGADRP C[N@@H+]1CC[C@]2(CC[NH+](CC[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)C2)C1 ZINC000366532916 498967695 /nfs/dbraw/zinc/96/76/95/498967695.db2.gz GCRILSJTDRJVIX-PXNSSMCTSA-N 2 0 351.535 3.051 20 0 FGADRP Cc1cn2c(n1)[C@H](C[NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1)CCC2 ZINC000363754340 498976733 /nfs/dbraw/zinc/97/67/33/498976733.db2.gz BNTIMAJVLJUHHD-HKUYNNGSSA-N 2 0 356.514 3.360 20 0 FGADRP Cc1ccc(Br)cc1NC(=O)CC[NH2+][C@H]1CC[NH2+]CC[C@H]1C ZINC000582056892 506123403 /nfs/dbraw/zinc/12/34/03/506123403.db2.gz ZITKQWLEGHGXMM-HIFRSBDPSA-N 2 0 368.319 3.064 20 0 FGADRP CC1CC[NH+](C2CCC(NC(=O)Nc3ccc4c(c3)C[NH2+]C4)CC2)CC1 ZINC000333360260 498992087 /nfs/dbraw/zinc/99/20/87/498992087.db2.gz SRKWOENZNDQHOJ-UHFFFAOYSA-N 2 0 356.514 3.454 20 0 FGADRP CC(C)(C)[NH+]1CCC(NC(=O)C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000299250545 499006789 /nfs/dbraw/zinc/00/67/89/499006789.db2.gz BOEUFMOLEYWERL-UHFFFAOYSA-N 2 0 357.542 3.278 20 0 FGADRP C[C@@H]1CC2(C[N@@H+]1Cc1nc(-c3cc(F)c(F)c(F)c3)no1)CC[NH2+]CC2 ZINC000333601143 499039487 /nfs/dbraw/zinc/03/94/87/499039487.db2.gz QLLKZKNVIHWXHT-LLVKDONJSA-N 2 0 366.387 3.118 20 0 FGADRP Nc1nc(CN2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)nc2sc3c(c21)CCCC3 ZINC000333850809 499087498 /nfs/dbraw/zinc/08/74/98/499087498.db2.gz NLJFKOCXFHXURQ-UKRRQHHQSA-N 2 0 371.554 3.116 20 0 FGADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CC[C@@H](Cc3ccc(F)c(F)c3)C2)CC1 ZINC000367245511 499167492 /nfs/dbraw/zinc/16/74/92/499167492.db2.gz YBTQODBBEYMPRZ-IBGZPJMESA-N 2 0 365.512 3.245 20 0 FGADRP C[C@H]1CCCC[C@H]1NC(=O)NCCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000370026820 499168319 /nfs/dbraw/zinc/16/83/19/499168319.db2.gz MAUWWZPWZYCVPH-FXAWDEMLSA-N 2 0 364.578 3.061 20 0 FGADRP Cc1nn(-c2ccccn2)c(C)c1C[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000367343276 499185221 /nfs/dbraw/zinc/18/52/21/499185221.db2.gz MOGNOYCQFOKPQE-UHFFFAOYSA-N 2 0 353.514 3.192 20 0 FGADRP Cc1ccncc1CCC[NH2+]CC1(N2CC[NH+](C)CC2)CCCCCC1 ZINC000367374163 499190547 /nfs/dbraw/zinc/19/05/47/499190547.db2.gz ZOGLJEGRUCKRBS-UHFFFAOYSA-N 2 0 358.574 3.253 20 0 FGADRP C[C@H](NC(=O)NC[C@@H]1CC[N@H+](C)[C@H]1c1cccs1)C(C)(C)C[NH+](C)C ZINC000370300072 499207106 /nfs/dbraw/zinc/20/71/06/499207106.db2.gz HYGAPDSBOFXYBV-YQQAZPJKSA-N 2 0 366.575 3.016 20 0 FGADRP Cn1cc(N2CC[C@@H]([NH2+]C3CCC([N@H+](C)Cc4ccccc4)CC3)C2)cn1 ZINC000367596255 499216066 /nfs/dbraw/zinc/21/60/66/499216066.db2.gz GGHAFLIXAONEKN-NYLDSWQDSA-N 2 0 367.541 3.032 20 0 FGADRP COc1ccc(Cl)cc1NC(=O)CC[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000367621765 499219044 /nfs/dbraw/zinc/21/90/44/499219044.db2.gz TVTKLVMMYUSSCN-ZMSDIMECSA-N 2 0 365.905 3.140 20 0 FGADRP C[C@@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccccc1OC(F)(F)F ZINC000370624042 499236813 /nfs/dbraw/zinc/23/68/13/499236813.db2.gz GELMMSJIUWXGEX-CABCVRRESA-N 2 0 371.447 3.404 20 0 FGADRP Cn1cc([C@@H]2[C@@H](C[NH2+]Cc3cc(F)c(F)cc3F)CCCN2C)cn1 ZINC000370715416 499247496 /nfs/dbraw/zinc/24/74/96/499247496.db2.gz SKHHXPHDZFKFMI-XIKOKIGWSA-N 2 0 352.404 3.010 20 0 FGADRP Cc1nccn1CCCC[N@@H+]1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 ZINC000367979693 499251724 /nfs/dbraw/zinc/25/17/24/499251724.db2.gz ZCQGRHVPGXYOMB-QZTJIDSGSA-N 2 0 362.518 3.161 20 0 FGADRP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](CCn3ccc4cc(Cl)ccc43)C2)CC1 ZINC000368121528 499266576 /nfs/dbraw/zinc/26/65/76/499266576.db2.gz CUZGFZKIZZXEIA-HXUWFJFHSA-N 2 0 374.960 3.395 20 0 FGADRP C[C@@H](CC[NH+](C)C)NC(=O)N1CCC[C@H]([N@H+](C)Cc2ccccc2)CC1 ZINC000371106245 499289011 /nfs/dbraw/zinc/28/90/11/499289011.db2.gz JFQHCCSGRIVUJW-ICSRJNTNSA-N 2 0 360.546 3.023 20 0 FGADRP C[C@H]([NH2+]CCC1CC[NH+](C2CCN(C)CC2)CC1)c1cccc(CO)c1 ZINC000368586966 499310646 /nfs/dbraw/zinc/31/06/46/499310646.db2.gz AOBJQFRVNQIUOJ-SFHVURJKSA-N 2 0 359.558 3.026 20 0 FGADRP Fc1cc(F)cc(C2CC([NH2+]C3CC[NH+](C[C@@H]4CCOC4)CC3)C2)c1 ZINC000368586734 499310785 /nfs/dbraw/zinc/31/07/85/499310785.db2.gz YYIUXSPNYBBKCC-GPWPYBQESA-N 2 0 350.453 3.301 20 0 FGADRP C[N@H+](C[C@H]1CC12CC[NH+](C[C@H]1CN(c3ccccc3)C(=O)O1)CC2)C1CC1 ZINC000371329858 499311132 /nfs/dbraw/zinc/31/11/32/499311132.db2.gz OPRUVDUVMIRKOE-XLIONFOSSA-N 2 0 369.509 3.208 20 0 FGADRP C[N@@H+]1CC[C@H](C[NH2+]C2CCN(Cc3ccncc3)CC2)[C@H]1c1ccccc1 ZINC000371520629 499337428 /nfs/dbraw/zinc/33/74/28/499337428.db2.gz VCSVBLSFLNPOFK-FYYLOGMGSA-N 2 0 364.537 3.329 20 0 FGADRP C[N@H+](C[C@@H]1CC12CC[NH+](Cc1nnc(C3CC3)n1C1CC1)CC2)C1CC1 ZINC000371694663 499355919 /nfs/dbraw/zinc/35/59/19/499355919.db2.gz UOFQSAOWGAASAN-INIZCTEOSA-N 2 0 355.530 3.187 20 0 FGADRP Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCN(C3CC[NH+](C)CC3)C2)C1 ZINC000369062957 499361750 /nfs/dbraw/zinc/36/17/50/499361750.db2.gz IOEUBRDIMIEQAO-VAMGGRTRSA-N 2 0 356.558 3.174 20 0 FGADRP COc1ccc(C[C@H]2CCC[N@@H+]2CCCN2CC[NH+](C(C)C)CC2)cc1 ZINC000369106850 499366020 /nfs/dbraw/zinc/36/60/20/499366020.db2.gz MJUBRBPGAHLNNT-OAQYLSRUSA-N 2 0 359.558 3.118 20 0 FGADRP COc1ccc(-c2noc([C@@H](C)[NH+]3CCC([C@@H]4CCC[NH2+]4)CC3)n2)cc1 ZINC000576376172 506143754 /nfs/dbraw/zinc/14/37/54/506143754.db2.gz GBRRBQIYFJYUBJ-KDOFPFPSSA-N 2 0 356.470 3.270 20 0 FGADRP CC(C)c1nccn1[C@@H]1CCCN(Cc2nc(N)c3ccccc3n2)C1 ZINC000369257230 499384076 /nfs/dbraw/zinc/38/40/76/499384076.db2.gz HSLSQQPZXGGTLA-OAHLLOKOSA-N 2 0 350.470 3.199 20 0 FGADRP CCCC(=O)Nc1ccc(C[NH2+][C@@H]2CC[N@H+](C[C@@H]3CCCO3)C[C@H]2C)cc1 ZINC000371983854 499386815 /nfs/dbraw/zinc/38/68/15/499386815.db2.gz KFKXQDYSVCITEH-JRGCBEDISA-N 2 0 373.541 3.404 20 0 FGADRP CC(C)[NH+]1CCN([C@H]2CC[N@H+](Cc3ccccc3C(F)(F)F)C2)CC1 ZINC000369397769 499399379 /nfs/dbraw/zinc/39/93/79/499399379.db2.gz JIAAGFUYIRJGDZ-KRWDZBQOSA-N 2 0 355.448 3.306 20 0 FGADRP c1cc(C[N@@H+]2CCC[C@H]3OCC[C@H]32)ccc1C[NH+]1CCC[C@H]2OCC[C@H]21 ZINC000369541907 499415099 /nfs/dbraw/zinc/41/50/99/499415099.db2.gz QQTFHKICVWQDRN-GXRSIYKFSA-N 2 0 356.510 3.193 20 0 FGADRP [NH3+]Cc1cc(C(=O)N2CCC[C@@H]2[C@H]2CCC[N@@H+]2Cc2ccccc2)co1 ZINC000372436274 499434504 /nfs/dbraw/zinc/43/45/04/499434504.db2.gz IBTBKVRQXXVXFN-WOJBJXKFSA-N 2 0 353.466 3.008 20 0 FGADRP C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)N2CCCC23CC[NH+](C)CC3)C1 ZINC000372436582 499434562 /nfs/dbraw/zinc/43/45/62/499434562.db2.gz UIXSZKNVXBKOAS-OALUTQOASA-N 2 0 364.578 3.014 20 0 FGADRP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+]Cc1cccc(OCC(F)F)c1 ZINC000373157253 499454309 /nfs/dbraw/zinc/45/43/09/499454309.db2.gz ZJERWQSOLDAMKE-AYOQOUSVSA-N 2 0 368.468 3.310 20 0 FGADRP Cc1nc(CN2C[C@@H](F)C[C@H]2C[NH2+]C2CC[NH+](C(C)(C)C)CC2)oc1C ZINC000373385412 499466783 /nfs/dbraw/zinc/46/67/83/499466783.db2.gz PPPVYBKKFQFMBD-WMZOPIPTSA-N 2 0 366.525 3.056 20 0 FGADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N2CCC([NH+]3CCC[C@@H]3C)CC2)C1 ZINC000378214748 499490873 /nfs/dbraw/zinc/49/08/73/499490873.db2.gz LJSLIOMMYJUSBT-RBUKOAKNSA-N 2 0 364.578 3.013 20 0 FGADRP Cc1nc(CN2CCC(C[NH2+][C@H](c3nccn3C)C3CC3)CC2)cs1 ZINC000378442745 499517303 /nfs/dbraw/zinc/51/73/03/499517303.db2.gz PBKHOTSBIWPGMG-SFHVURJKSA-N 2 0 359.543 3.138 20 0 FGADRP COc1cc2c(N[C@@H]3CCCN(Cc4noc(C)n4)C3)cc[nH+]c2cc1F ZINC000375667710 499542975 /nfs/dbraw/zinc/54/29/75/499542975.db2.gz ZPHSAYLYWJXCEF-CYBMUJFWSA-N 2 0 371.416 3.150 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H](O)COCc1ccccc1 ZINC000397962200 499565702 /nfs/dbraw/zinc/56/57/02/499565702.db2.gz FOADEBGHVLUSRG-OIBXWCBGSA-N 2 0 368.521 3.064 20 0 FGADRP C[C@]1(C[NH2+]Cc2ccc3c(c2)NC(=O)CO3)CCCN1Cc1ccccc1 ZINC000397978058 499565783 /nfs/dbraw/zinc/56/57/83/499565783.db2.gz LMOAJNIJMCURFK-JOCHJYFZSA-N 2 0 365.477 3.162 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)CC1(C[NH3+])CCCCC1 ZINC000398062421 499566053 /nfs/dbraw/zinc/56/60/53/499566053.db2.gz MUBRXCRTUPZJKK-QUCCMNQESA-N 2 0 357.542 3.313 20 0 FGADRP Cn1nccc1[C@@H]1CCC[C@H](Nc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000376080654 499581329 /nfs/dbraw/zinc/58/13/29/499581329.db2.gz KLYBJXLQRJWSOG-MJGOQNOKSA-N 2 0 353.514 3.310 20 0 FGADRP C[NH+](C)Cc1ccccc1C(=O)N1CC[C@@H]([N@H+](C)Cc2ccccc2)C1 ZINC000377348711 499681867 /nfs/dbraw/zinc/68/18/67/499681867.db2.gz BPEJVAFOYSKXTJ-HXUWFJFHSA-N 2 0 351.494 3.095 20 0 FGADRP C[NH+](C)Cc1ccccc1C(=O)N1CC[C@H]([N@H+](C)Cc2ccccc2)C1 ZINC000377348708 499681982 /nfs/dbraw/zinc/68/19/82/499681982.db2.gz BPEJVAFOYSKXTJ-FQEVSTJZSA-N 2 0 351.494 3.095 20 0 FGADRP COc1cc(C[NH2+]C[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)cc(OC)c1O ZINC000377362081 499683334 /nfs/dbraw/zinc/68/33/34/499683334.db2.gz ZUMHBGPLAGFBAS-JOCHJYFZSA-N 2 0 370.493 3.411 20 0 FGADRP CCCNC(=O)C1CC[NH+](Cc2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC000411126948 499700836 /nfs/dbraw/zinc/70/08/36/499700836.db2.gz AZDKKNFYIJKPQW-UHFFFAOYSA-N 2 0 357.542 3.411 20 0 FGADRP c1ccc(N2CC[NH+](Cc3ccc(C[NH+]4CCCCC4)cc3)CC2)nc1 ZINC000411152889 499703506 /nfs/dbraw/zinc/70/35/06/499703506.db2.gz HMXYGCVTBCYTRJ-UHFFFAOYSA-N 2 0 350.510 3.390 20 0 FGADRP C[C@H](c1ccc2c(c1)OCCCO2)[N@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000377628126 499712525 /nfs/dbraw/zinc/71/25/25/499712525.db2.gz OAJJHLQZHAHPRN-YLJYHZDGSA-N 2 0 373.541 3.009 20 0 FGADRP C[N@H+](Cc1cccc(-c2cccnc2)c1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000377626792 499712730 /nfs/dbraw/zinc/71/27/30/499712730.db2.gz MQMZPQNQPHKNEA-QHCPKHFHSA-N 2 0 364.537 3.349 20 0 FGADRP C[C@H](c1ccc2c(c1)OCCCO2)[N@H+](C)C1CC[NH+](C2CCOCC2)CC1 ZINC000377648091 499715226 /nfs/dbraw/zinc/71/52/26/499715226.db2.gz KSZPUBDJWWJMRE-QGZVFWFLSA-N 2 0 374.525 3.484 20 0 FGADRP CC(CC[NH+]1CCC2(C1)CCOCC2)CC[N@@H+]1CCC2(C1)CCOCC2 ZINC000411296932 499723290 /nfs/dbraw/zinc/72/32/90/499723290.db2.gz LJIBZHFESIKDEV-UHFFFAOYSA-N 2 0 364.574 3.408 20 0 FGADRP Cc1ccc2ncc(C[NH+]3CCC(C)(C[NH+]4CCN(C)CC4)CC3)cc2c1 ZINC000411530923 499751995 /nfs/dbraw/zinc/75/19/95/499751995.db2.gz WJNJZAUQSGUZLD-UHFFFAOYSA-N 2 0 366.553 3.393 20 0 FGADRP C[NH+](C)CCCOc1cnccc1C[NH2+][C@H]1C[C@@H](OC(C)(C)C)C1(C)C ZINC000414168863 499765501 /nfs/dbraw/zinc/76/55/01/499765501.db2.gz VAJQIEIYROLPOE-RBUKOAKNSA-N 2 0 363.546 3.484 20 0 FGADRP CC(CC[NH+]1CCC[C@@H]([NH+](C)C)CC1)CC[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000411638567 499771966 /nfs/dbraw/zinc/77/19/66/499771966.db2.gz RZOSBRBEYAXBRI-FGZHOGPDSA-N 4 0 366.638 3.235 20 0 FGADRP Cc1nc2c(s1)[C@H]([NH2+]CC1(O)CC[NH+](Cc3ccccc3)CC1)CCC2 ZINC000414310958 499776528 /nfs/dbraw/zinc/77/65/28/499776528.db2.gz ULQDFVLBYBJCBY-GOSISDBHSA-N 2 0 371.550 3.446 20 0 FGADRP CN(C)c1ncc(C[NH2+]Cc2cccc(C[NH+]3CCCCCC3)c2)n1C ZINC000414320424 499777472 /nfs/dbraw/zinc/77/74/72/499777472.db2.gz PKFQNKRQLVOZHW-UHFFFAOYSA-N 2 0 355.530 3.152 20 0 FGADRP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1)c1ccccc1 ZINC000414322544 499777720 /nfs/dbraw/zinc/77/77/20/499777720.db2.gz GZASDKCOOYHFEJ-QGZVFWFLSA-N 2 0 351.494 3.235 20 0 FGADRP CC1CC[NH+](Cc2cccc(C[NH2+]Cc3cnc(N(C)C)n3C)c2)CC1 ZINC000414333806 499778544 /nfs/dbraw/zinc/77/85/44/499778544.db2.gz SZSOCZQVQPTKHF-UHFFFAOYSA-N 2 0 355.530 3.008 20 0 FGADRP C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)C[C@H]1C ZINC000414344402 499779752 /nfs/dbraw/zinc/77/97/52/499779752.db2.gz RLRIYMYKCUNGBK-CBGDNZLLSA-N 2 0 357.542 3.298 20 0 FGADRP C[C@@H](c1nc2ccccc2n1C(F)F)[N@H+](C)CCCN(C)CC[NH+](C)C ZINC000411734014 499784325 /nfs/dbraw/zinc/78/43/25/499784325.db2.gz HIURPIDNCMMELV-HNNXBMFYSA-N 2 0 367.488 3.308 20 0 FGADRP CC(=O)NCC[C@H]1CCC[N@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000411744544 499785444 /nfs/dbraw/zinc/78/54/44/499785444.db2.gz UHDJSRLISPYGNI-HXUWFJFHSA-N 2 0 357.542 3.411 20 0 FGADRP C[C@@H](c1ccccc1)[C@@H]([NH2+]Cc1cccc(C[NH+]2CCCCC2)c1)C(N)=O ZINC000411764739 499788080 /nfs/dbraw/zinc/78/80/80/499788080.db2.gz ZQCVRPLCSNZACS-PGRDOPGGSA-N 2 0 365.521 3.420 20 0 FGADRP C[C@@H]1C[C@@H](C[NH+]2CCN(Cc3ccc(Br)s3)CC2)CC[NH2+]1 ZINC000414731574 499824139 /nfs/dbraw/zinc/82/41/39/499824139.db2.gz HZYBXGJHLOKSFS-KGLIPLIRSA-N 2 0 372.376 3.016 20 0 FGADRP C[C@@H]1C[C@@H](C[N@@H+]2CCO[C@@H](c3ccc(Br)cc3)C2)CC[NH2+]1 ZINC000414747867 499826235 /nfs/dbraw/zinc/82/62/35/499826235.db2.gz NIFYZVBFJKASFH-JKIFEVAISA-N 2 0 353.304 3.211 20 0 FGADRP c1ccc(OCc2cccnc2)c(C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000414772379 499829371 /nfs/dbraw/zinc/82/93/71/499829371.db2.gz BULTVGSSFRCAEK-PMACEKPBSA-N 2 0 351.494 3.482 20 0 FGADRP c1ccc(OCc2cccnc2)c(C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000414772387 499829448 /nfs/dbraw/zinc/82/94/48/499829448.db2.gz BULTVGSSFRCAEK-WOJBJXKFSA-N 2 0 351.494 3.482 20 0 FGADRP Cc1cc(C[N@@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)cc(C)c1OC(F)F ZINC000414777420 499829956 /nfs/dbraw/zinc/82/99/56/499829956.db2.gz FHQAGIAUMWAUOM-MRXNPFEDSA-N 2 0 354.441 3.092 20 0 FGADRP C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000414799160 499832488 /nfs/dbraw/zinc/83/24/88/499832488.db2.gz JUIFRUTYDDBAOS-XJKCOSOUSA-N 2 0 368.319 3.273 20 0 FGADRP C[C@H]([NH3+])c1ccc(C[NH2+]Cc2c[nH]nc2-c2ccc3c(c2)OCCO3)cc1 ZINC000414802035 499832911 /nfs/dbraw/zinc/83/29/11/499832911.db2.gz AYSRAWYJHPBARG-AWEZNQCLSA-N 2 0 364.449 3.157 20 0 FGADRP COc1ccc(NC(=O)C[C@@H](C)[NH2+]Cc2ccc([C@H](C)[NH3+])cc2)c(OC)c1 ZINC000414819774 499834498 /nfs/dbraw/zinc/83/44/98/499834498.db2.gz ZQNXVCJZUVKHTJ-CABCVRRESA-N 2 0 371.481 3.230 20 0 FGADRP C[NH2+]C[C@H](C)C[NH2+]Cc1ccc(Br)c(Br)c1 ZINC000414835940 499835877 /nfs/dbraw/zinc/83/58/77/499835877.db2.gz IVGGIIIBHRDBMV-VIFPVBQESA-N 2 0 350.098 3.157 20 0 FGADRP FC(F)(F)c1ccc(Cn2cc(C[NH2+]CC[C@@H]3CCC[NH2+]C3)cn2)cc1 ZINC000414846108 499837000 /nfs/dbraw/zinc/83/70/00/499837000.db2.gz UCJIQPJQKOXDHL-HNNXBMFYSA-N 2 0 366.431 3.430 20 0 FGADRP Brc1cc(C[NH2+]CC[C@@H]2CCC[NH2+]C2)cc2c1OCCCO2 ZINC000414851229 499837946 /nfs/dbraw/zinc/83/79/46/499837946.db2.gz NWMDNKCRUJHIKH-ZDUSSCGKSA-N 2 0 369.303 3.090 20 0 FGADRP C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000414858885 499838671 /nfs/dbraw/zinc/83/86/71/499838671.db2.gz STPOBXPVJZYQNY-MGPQQGTHSA-N 2 0 357.420 3.400 20 0 FGADRP COc1ccc(NC(=O)C[C@H](C)[NH2+]CC2([NH3+])CCCCCC2)c(OC)c1 ZINC000414861677 499838746 /nfs/dbraw/zinc/83/87/46/499838746.db2.gz SUXMGFIEYNZFSM-HNNXBMFYSA-N 2 0 363.502 3.062 20 0 FGADRP COc1ccc(NC(=O)C[C@@H](C)[NH2+]CC2([NH3+])CCCCCC2)c(OC)c1 ZINC000414861678 499838978 /nfs/dbraw/zinc/83/89/78/499838978.db2.gz SUXMGFIEYNZFSM-OAHLLOKOSA-N 2 0 363.502 3.062 20 0 FGADRP CCCOc1c(Br)cc(C[NH2+]C[C@H](C)C[NH3+])cc1OCC ZINC000414866789 499839412 /nfs/dbraw/zinc/83/94/12/499839412.db2.gz BBNPITQAWBZFMU-GFCCVEGCSA-N 2 0 359.308 3.321 20 0 FGADRP CC1(C[NH2+]Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)CC[NH2+]CC1 ZINC000414898518 499843071 /nfs/dbraw/zinc/84/30/71/499843071.db2.gz GETXUVFKFUUEMR-UHFFFAOYSA-N 2 0 352.404 3.370 20 0 FGADRP COc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]C[C@]1(C)CCC[NH2+]C1 ZINC000414902224 499843411 /nfs/dbraw/zinc/84/34/11/499843411.db2.gz GYGWWULQSFIPIP-FZKQIMNGSA-N 2 0 353.894 3.045 20 0 FGADRP C[C@@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]C[C@@]1(C)CCC[NH2+]C1 ZINC000414920474 499844676 /nfs/dbraw/zinc/84/46/76/499844676.db2.gz ZLVKSOANFHAATL-KXBFYZLASA-N 2 0 351.922 3.056 20 0 FGADRP COc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000414981580 499851211 /nfs/dbraw/zinc/85/12/11/499851211.db2.gz YBPNERNXNNEDHE-UKRRQHHQSA-N 2 0 353.894 3.188 20 0 FGADRP C[C@@H](Cc1ccc(Br)cc1F)[NH2+]C[C@H]1CCNCC1(F)F ZINC000414993446 499852655 /nfs/dbraw/zinc/85/26/55/499852655.db2.gz CIWDXYXEEJKLSC-CMPLNLGQSA-N 2 0 365.237 3.354 20 0 FGADRP C[C@@H](CCCC[NH3+])[NH2+][C@@H](C)CC(=O)Nc1ccc(Br)cc1 ZINC000415014554 499855017 /nfs/dbraw/zinc/85/50/17/499855017.db2.gz MROZUOAOVPIMDF-STQMWFEESA-N 2 0 356.308 3.273 20 0 FGADRP COc1cc(Cl)c(C[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)cc1Cl ZINC000415051386 499858343 /nfs/dbraw/zinc/85/83/43/499858343.db2.gz JNWITAPLTJQGSE-UHFFFAOYSA-N 2 0 372.340 3.308 20 0 FGADRP COc1ccc(C[N@@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)cc1OCc1cccnc1 ZINC000415059212 499859310 /nfs/dbraw/zinc/85/93/10/499859310.db2.gz XNGZBFDCEYFHQX-IIBYNOLFSA-N 2 0 355.482 3.086 20 0 FGADRP CC[C@H](C(=O)N1CCC([NH2+]C[C@@H]2CC[NH2+][C@@H](C)C2)CC1)c1ccccc1 ZINC000415095966 499862957 /nfs/dbraw/zinc/86/29/57/499862957.db2.gz ACGOZYDMBGKNMV-UEXGIBASSA-N 2 0 357.542 3.149 20 0 FGADRP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](Cc2ccc(OCC(F)F)cc2)CC1 ZINC000415115137 499865452 /nfs/dbraw/zinc/86/54/52/499865452.db2.gz WHLNXYOTFBXSDC-IEBWSBKVSA-N 2 0 354.441 3.049 20 0 FGADRP [NH3+][C@H]1CCCO[C@@H]1C1CC[NH+](Cc2ccccc2OCC(F)(F)F)CC1 ZINC000415116387 499865685 /nfs/dbraw/zinc/86/56/85/499865685.db2.gz YAKVQEAINUJMDC-FUHWJXTLSA-N 2 0 372.431 3.346 20 0 FGADRP C[C@@H](c1cccc(NC(=O)N[C@@H](C[NH3+])C2CCCCC2)c1)N1CCOCC1 ZINC000415152161 499870862 /nfs/dbraw/zinc/87/08/62/499870862.db2.gz UGAJLSFWXLOLMQ-JXFKEZNVSA-N 2 0 374.529 3.109 20 0 FGADRP CC[NH+](CC)CCOc1ccc(NC(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000415173005 499873104 /nfs/dbraw/zinc/87/31/04/499873104.db2.gz AXQFTSDZWYNVFN-NRFANRHFSA-N 2 0 374.529 3.015 20 0 FGADRP CC(C)C[C@H](C[NH3+])NC(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000415312423 499885601 /nfs/dbraw/zinc/88/56/01/499885601.db2.gz SPYQTPUOYUDOEA-GOSISDBHSA-N 2 0 362.518 3.046 20 0 FGADRP CC1CC[NH+](CCc2cccc(NC(=O)N3CC[C@H]4C[NH2+]C[C@@H]4C3)c2)CC1 ZINC000415386872 499890645 /nfs/dbraw/zinc/89/06/45/499890645.db2.gz GQOAZSMDLFSNOA-VQTJNVASSA-N 2 0 370.541 3.034 20 0 FGADRP CC[NH+](CC)CCO[C@H]1CCN(c2cc[nH+]c3cc(OC)c(OC)cc32)C1 ZINC000413188807 499924341 /nfs/dbraw/zinc/92/43/41/499924341.db2.gz XWBLHTIHEFOASC-INIZCTEOSA-N 2 0 373.497 3.189 20 0 FGADRP C[NH2+]Cc1cccc(NC(=O)N[C@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)c1 ZINC000415917878 499928168 /nfs/dbraw/zinc/92/81/68/499928168.db2.gz JTRBXJZDWFTEDG-JXFKEZNVSA-N 2 0 352.482 3.363 20 0 FGADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)N2CCCC[C@H]2[C@@H]2CCC[NH2+]C2)C1 ZINC000417050381 499957868 /nfs/dbraw/zinc/95/78/68/499957868.db2.gz WUCHRMJCNWODRV-AQNXPRMDSA-N 2 0 364.578 3.062 20 0 FGADRP C[C@H](NC(=O)C[C@@H](c1ccccc1)[NH+](C)C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000416201214 499979620 /nfs/dbraw/zinc/97/96/20/499979620.db2.gz RKAWZEHNVOGROD-DSKINZAPSA-N 2 0 357.542 3.449 20 0 FGADRP C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)NCC[C@H]2CC[NH2+]C2)c1 ZINC000429107981 500004713 /nfs/dbraw/zinc/00/47/13/500004713.db2.gz SCHHBOBIOLSFNJ-GOSISDBHSA-N 2 0 351.494 3.048 20 0 FGADRP C[C@@H]([NH3+])C1CCN(C(=O)NC[C@H](c2ccccc2)[NH+]2CCC(C)CC2)CC1 ZINC000417215832 500007322 /nfs/dbraw/zinc/00/73/22/500007322.db2.gz NXFKSHWQZRAPQL-WIYYLYMNSA-N 2 0 372.557 3.228 20 0 FGADRP CC[NH+]1CCC(N2CCC[N@H+](Cc3ccccc3OCC3CC3)CC2)CC1 ZINC000421364963 500027208 /nfs/dbraw/zinc/02/72/08/500027208.db2.gz AEEOUEZKWQQRNJ-UHFFFAOYSA-N 2 0 371.569 3.467 20 0 FGADRP CSC[C@@H]1CCC[NH+](CC2(C[N@H+]3CCC[C@@H](CSC)C3)COC2)C1 ZINC000429297025 500046391 /nfs/dbraw/zinc/04/63/91/500046391.db2.gz CLCABYMIRSDZIA-QZTJIDSGSA-N 2 0 372.644 3.153 20 0 FGADRP O=C(NCCC1=CC[NH2+]CC1)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000417352021 500046646 /nfs/dbraw/zinc/04/66/46/500046646.db2.gz DZUKXGFWIURXDG-UHFFFAOYSA-N 2 0 370.541 3.172 20 0 FGADRP C[C@H]1C[N@H+](CCOc2ccc(CC[NH2+][C@@H]3CCC[C@H]([NH3+])C3)cc2)C[C@H]1C ZINC000570462186 506173126 /nfs/dbraw/zinc/17/31/26/506173126.db2.gz BMFWORKIZRWJKN-IZZBFERCSA-N 3 0 359.558 3.055 20 0 FGADRP CC[N@H+](C)Cc1cccc(CNC(=O)N2CCC([C@H]3[NH2+]CC3(C)C)CC2)c1 ZINC000417400706 500061734 /nfs/dbraw/zinc/06/17/34/500061734.db2.gz KWTNJJUAUNKLPW-HXUWFJFHSA-N 2 0 372.557 3.058 20 0 FGADRP Cc1ccc([C@@H](CNC(=O)NCC2([NH3+])CCCCCC2)[NH+]2CCCC2)o1 ZINC000417417589 500067590 /nfs/dbraw/zinc/06/75/90/500067590.db2.gz JOJHEGOBAFSXIY-QGZVFWFLSA-N 2 0 362.518 3.076 20 0 FGADRP CCC[C@H]([NH2+]C(C)C)C(=O)Nc1nc2c(s1)C[N@@H+](C(C)(C)C)CC2 ZINC000425319541 500074246 /nfs/dbraw/zinc/07/42/46/500074246.db2.gz CVJIDRQBYHTHIK-AWEZNQCLSA-N 2 0 352.548 3.405 20 0 FGADRP C[NH2+]C[C@@H]1CCCN(C(=O)NCc2cccc(C[NH+]3CCC(C)CC3)c2)C1 ZINC000417469487 500082770 /nfs/dbraw/zinc/08/27/70/500082770.db2.gz QICAOSPBRZPEJP-NRFANRHFSA-N 2 0 372.557 3.060 20 0 FGADRP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)NCc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000417472034 500083406 /nfs/dbraw/zinc/08/34/06/500083406.db2.gz WECFFCLVTUXFNC-RXVVDRJESA-N 2 0 372.557 3.330 20 0 FGADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)C1 ZINC000417586927 500117772 /nfs/dbraw/zinc/11/77/72/500117772.db2.gz RICNISNEIXLVGF-IEBWSBKVSA-N 2 0 364.578 3.061 20 0 FGADRP C[C@H]([NH3+])c1ccc(CNC(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)cc1 ZINC000416791202 500121487 /nfs/dbraw/zinc/12/14/87/500121487.db2.gz WAALPXYIBXOSIA-UWJYYQICSA-N 2 0 366.509 3.343 20 0 FGADRP C[NH2+]CCC1CCN(C(=O)NCC2([NH+]3CCCCC3)CCCCC2)CC1 ZINC000416820088 500129201 /nfs/dbraw/zinc/12/92/01/500129201.db2.gz KLUMOQNPRGRNPA-UHFFFAOYSA-N 2 0 364.578 3.206 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)NC1(C)CC[NH2+]CC1)c1ccccc1Cl ZINC000416831162 500132008 /nfs/dbraw/zinc/13/20/08/500132008.db2.gz HLVQIESPSLREHG-KRWDZBQOSA-N 2 0 366.937 3.164 20 0 FGADRP CCCN(C(=O)NC[C@H](c1ccccc1)[NH+](CC)CC)C1CC[NH2+]CC1 ZINC000416842172 500135590 /nfs/dbraw/zinc/13/55/90/500135590.db2.gz MTDINIIUXXAVTG-HXUWFJFHSA-N 2 0 360.546 3.243 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)NC[C@@H]1CCC[NH2+]C1)c1ccccc1Cl ZINC000416853706 500138350 /nfs/dbraw/zinc/13/83/50/500138350.db2.gz UIIQNRKHAOBKMY-CRAIPNDOSA-N 2 0 366.937 3.022 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N1CCC[C@H]1C[NH2+]C)c1ccccc1Cl ZINC000416855226 500139403 /nfs/dbraw/zinc/13/94/03/500139403.db2.gz VTYMYEKHWQAEPQ-MAUKXSAKSA-N 2 0 366.937 3.116 20 0 FGADRP CC1CC[NH+](CCCNC(=O)N[C@@H](C[NH3+])c2ccc3ccccc3c2)CC1 ZINC000416873288 500144991 /nfs/dbraw/zinc/14/49/91/500144991.db2.gz NBRHPNOYUKWATB-NRFANRHFSA-N 2 0 368.525 3.261 20 0 FGADRP CC[NH+](CC)Cc1ccccc1CNC(=O)N(CC[NH3+])Cc1ccccc1 ZINC000416888054 500147741 /nfs/dbraw/zinc/14/77/41/500147741.db2.gz IVXYWCRLOCHPPE-UHFFFAOYSA-N 2 0 368.525 3.199 20 0 FGADRP C[C@@H]([NH2+]C1(CNC(=O)NCC[C@H]2CCC[NH2+]C2)CCCC1)c1ccccc1 ZINC000417698571 500151731 /nfs/dbraw/zinc/15/17/31/500151731.db2.gz GPGNTTJHHBJWBK-RTBURBONSA-N 2 0 372.557 3.339 20 0 FGADRP Clc1cccc(-c2noc(CC[N@@H+]3CCCC[C@H]3[C@H]3CC[NH2+]C3)n2)c1 ZINC000579455044 506178924 /nfs/dbraw/zinc/17/89/24/506178924.db2.gz NWGJCATYCXLBHL-RDJZCZTQSA-N 2 0 360.889 3.397 20 0 FGADRP C[C@H]([NH2+]C1(CNC(=O)NCCC[NH2+]C2CC2)CCCC1)c1ccccc1 ZINC000417709673 500154457 /nfs/dbraw/zinc/15/44/57/500154457.db2.gz TXIPHUSAISCHIJ-KRWDZBQOSA-N 2 0 358.530 3.091 20 0 FGADRP C[C@H]([NH2+]C1(CNC(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)CCCC1)c1ccccc1 ZINC000417713870 500154685 /nfs/dbraw/zinc/15/46/85/500154685.db2.gz YTAVJLNTFAGKIX-YQVWRLOYSA-N 2 0 358.530 3.077 20 0 FGADRP C[C@H]([NH2+]C1(CNC(=O)N[C@@H]2CC[C@H](C[NH3+])C2)CCCC1)c1ccccc1 ZINC000417713867 500154815 /nfs/dbraw/zinc/15/48/15/500154815.db2.gz YTAVJLNTFAGKIX-JENIJYKNSA-N 2 0 358.530 3.077 20 0 FGADRP C[C@H](Cc1ccc(F)cc1Cl)[NH2+]C1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000421847095 500163502 /nfs/dbraw/zinc/16/35/02/500163502.db2.gz VYGWAPJBGFTKAK-VMDGZTHMSA-N 2 0 354.897 3.378 20 0 FGADRP C[C@H]([NH3+])C1CCN(C(=O)NCc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)CC1 ZINC000416968895 500169305 /nfs/dbraw/zinc/16/93/05/500169305.db2.gz BADPLZOGYSNKPW-MSOLQXFVSA-N 2 0 372.557 3.330 20 0 FGADRP C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000416968530 500169421 /nfs/dbraw/zinc/16/94/21/500169421.db2.gz JJGHAKHADSRNJK-OPYAIIAOSA-N 2 0 372.557 3.330 20 0 FGADRP CC1CC[NH+](Cc2ccc(CNC(=O)NC[C@@H]3CCC[C@@H]([NH3+])C3)cc2)CC1 ZINC000416973743 500172062 /nfs/dbraw/zinc/17/20/62/500172062.db2.gz KEWMXMGJSKOEFG-NHCUHLMSSA-N 2 0 372.557 3.235 20 0 FGADRP C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)COC3CCC([NH3+])CC3)cc2)C1 ZINC000582299020 506180505 /nfs/dbraw/zinc/18/05/05/506180505.db2.gz PDDMLRLDIMMVGM-VQSBYGRUSA-N 2 0 359.514 3.144 20 0 FGADRP CC1CC[NH+](Cc2ccc(CNC(=O)N3CC[C@@H](C)[C@H](C[NH3+])C3)cc2)CC1 ZINC000416976938 500173513 /nfs/dbraw/zinc/17/35/13/500173513.db2.gz OUTMIPLFGYOTMR-WIYYLYMNSA-N 2 0 372.557 3.045 20 0 FGADRP CC[NH+](CC)Cc1cccc(CNC(=O)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000416979694 500173883 /nfs/dbraw/zinc/17/38/83/500173883.db2.gz HYFTZCDKUZPBHH-RTWAWAEBSA-N 2 0 372.557 3.060 20 0 FGADRP C[C@H](CCCC[NH3+])NC(=O)NCc1ccc(C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000416987027 500176400 /nfs/dbraw/zinc/17/64/00/500176400.db2.gz JRPUFOIULDVKAY-GUDVDZBRSA-N 2 0 374.573 3.481 20 0 FGADRP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)NC2CCC([NH3+])CC2)C1 ZINC000416999272 500180369 /nfs/dbraw/zinc/18/03/69/500180369.db2.gz LZVLDYNYFMANPO-FBIZOPLVSA-N 2 0 372.557 3.234 20 0 FGADRP CCCN(C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)C1CC[NH2+]CC1 ZINC000417833823 500180738 /nfs/dbraw/zinc/18/07/38/500180738.db2.gz UWGMTOLRNMWWAW-NQIIRXRSSA-N 2 0 372.557 3.071 20 0 FGADRP Cc1cc(C(C)(C)C)ccc1OC[C@@H](O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000579463669 506181116 /nfs/dbraw/zinc/18/11/16/506181116.db2.gz FAZRTVBDODGFOH-NXEWRWPSSA-N 2 0 360.542 3.247 20 0 FGADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)N[C@H](C[NH3+])c2ccc3ccccc3c2)C1 ZINC000417872087 500188209 /nfs/dbraw/zinc/18/82/09/500188209.db2.gz IIEAVLCFRRRVPY-DYESRHJHSA-N 2 0 368.525 3.117 20 0 FGADRP CCCC[N@H+](CC)Cc1cccc(CNC(=O)N[C@H]2CC[NH2+]C[C@H]2C)c1 ZINC000417874010 500188850 /nfs/dbraw/zinc/18/88/50/500188850.db2.gz JYGCDBDQYTYWTF-XLIONFOSSA-N 2 0 360.546 3.106 20 0 FGADRP CCCC[N@H+](CC)Cc1cccc(CNC(=O)N[C@@H]2CC[C@H](C[NH3+])C2)c1 ZINC000417874412 500189094 /nfs/dbraw/zinc/18/90/94/500189094.db2.gz KDYHKPABIZCBKW-FXAWDEMLSA-N 2 0 360.546 3.235 20 0 FGADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)NCC[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000417919342 500198179 /nfs/dbraw/zinc/19/81/79/500198179.db2.gz FSSAAMLZUKTVGS-CEWLAPEOSA-N 2 0 374.573 3.302 20 0 FGADRP CCC1(CNC(=O)N[C@H](C)CCC[NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000417933954 500200358 /nfs/dbraw/zinc/20/03/58/500200358.db2.gz YEQGWTIECVLQLC-GOSISDBHSA-N 2 0 360.546 3.105 20 0 FGADRP C[NH+]1CCN(CCC[NH2+][C@H](Cc2cccnc2)c2cccc(Cl)c2)CC1 ZINC000425913842 500211126 /nfs/dbraw/zinc/21/11/26/500211126.db2.gz GIJUOIHQNVHAHD-OAQYLSRUSA-N 2 0 372.944 3.246 20 0 FGADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H]1CCN(Cc2ccccc2)C2(CC2)C1 ZINC000579472095 506182603 /nfs/dbraw/zinc/18/26/03/506182603.db2.gz AEDNCSGNHCDAQY-NHCUHLMSSA-N 2 0 359.558 3.130 20 0 FGADRP C[C@]1(CNC(=O)NC[C@H]([NH3+])c2ccccc2)CCC[N@@H+]1Cc1ccccc1 ZINC000418044851 500219969 /nfs/dbraw/zinc/21/99/69/500219969.db2.gz NLHJKCYDZORMOV-RBBKRZOGSA-N 2 0 366.509 3.040 20 0 FGADRP CCn1nncc1C[N@@H+]1CC(C)(C)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000418075617 500226260 /nfs/dbraw/zinc/22/62/60/500226260.db2.gz HJWRAFHDXZSNLT-OAQYLSRUSA-N 2 0 367.541 3.421 20 0 FGADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)NC1CCC([NH+](C)C)CC1)c1ccccc1 ZINC000422172837 500226751 /nfs/dbraw/zinc/22/67/51/500226751.db2.gz XOPPXCLPLJMRNY-IPJUCJBFSA-N 2 0 360.546 3.288 20 0 FGADRP CCC[N@H+](C)[C@H](CNC(=O)N[C@@H]1CC[NH2+][C@@H](C)C1)c1ccc(Cl)cc1 ZINC000418188961 500245889 /nfs/dbraw/zinc/24/58/89/500245889.db2.gz VBUWOQJKUCQJAX-BMGDILEWSA-N 2 0 366.937 3.163 20 0 FGADRP CC[NH2+]CC1CC[NH+]([C@H](C)C(=O)N[C@@H](C)c2cc3ccccc3o2)CC1 ZINC000430549663 500253021 /nfs/dbraw/zinc/25/30/21/500253021.db2.gz NJEAGLFAEJVMDP-JKSUJKDBSA-N 2 0 357.498 3.320 20 0 FGADRP CCOc1ccc(-c2nc(C[NH+]3CCC(C[NH3+])CC3)cs2)cc1OC ZINC000430613450 500262313 /nfs/dbraw/zinc/26/23/13/500262313.db2.gz VNQKGDPDDBDULB-UHFFFAOYSA-N 2 0 361.511 3.388 20 0 FGADRP [NH3+]CC1CC[NH+](CC(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)CC1 ZINC000430616466 500262409 /nfs/dbraw/zinc/26/24/09/500262409.db2.gz FNRGQMHWEZNMEG-QGZVFWFLSA-N 2 0 370.324 3.328 20 0 FGADRP [NH3+]CC1CC[NH+](CCC(=O)Nc2ccc(Oc3ccccc3)cc2)CC1 ZINC000430617364 500262936 /nfs/dbraw/zinc/26/29/36/500262936.db2.gz MFEZHGPQPMIXMC-UHFFFAOYSA-N 2 0 353.466 3.478 20 0 FGADRP C[NH2+]C[C@@H]1CCC[N@H+](CCC(=O)N[C@@H](c2cccs2)c2ccccc2)C1 ZINC000430619671 500262941 /nfs/dbraw/zinc/26/29/41/500262941.db2.gz AHHGFZSACDTUTA-LAUBAEHRSA-N 2 0 371.550 3.275 20 0 FGADRP COc1ccc(-n2c(C[NH+]3CCC(C[NH3+])CC3)nc3ccccc32)cc1 ZINC000430622146 500263025 /nfs/dbraw/zinc/26/30/25/500263025.db2.gz DSXYDYKQQYQQDR-UHFFFAOYSA-N 2 0 350.466 3.205 20 0 FGADRP CC1CC[NH+](C[C@@H]2CCCN(C(=O)N[C@H](C[NH3+])C3CCCCC3)C2)CC1 ZINC000418356460 500267851 /nfs/dbraw/zinc/26/78/51/500267851.db2.gz GRPKKBQETQKKAO-AZUAARDMSA-N 2 0 364.578 3.048 20 0 FGADRP [NH3+]C[C@H](NC(=O)N[C@@H](C[NH3+])C1CCCCC1)c1ccc2ccccc2c1 ZINC000418394076 500271706 /nfs/dbraw/zinc/27/17/06/500271706.db2.gz XJZFRLFFJXIWIM-PMACEKPBSA-N 2 0 354.498 3.046 20 0 FGADRP C[C@@H]1C[C@H](N(C)C(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000418407834 500273055 /nfs/dbraw/zinc/27/30/55/500273055.db2.gz MDCVTXZCUDKRMQ-CWJKEVGVSA-N 2 0 372.557 3.198 20 0 FGADRP CC[C@@H]1CC[C@H](C)C[C@H]1[NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000430715858 500274322 /nfs/dbraw/zinc/27/43/22/500274322.db2.gz BLZYOAUVHOXSIW-XUVXKRRUSA-N 2 0 359.562 3.183 20 0 FGADRP C[C@H]([NH3+])c1ccc(CNC(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000418488874 500282650 /nfs/dbraw/zinc/28/26/50/500282650.db2.gz KYIREYFDWVHAGK-LAUBAEHRSA-N 2 0 366.509 3.122 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)NCC2(C)CC[NH2+]CC2)CC1 ZINC000418514862 500286669 /nfs/dbraw/zinc/28/66/69/500286669.db2.gz HVGMXXMHKUJQAW-GOSISDBHSA-N 2 0 364.578 3.062 20 0 FGADRP CCN(C(=O)NC[C@]1(C)CCC[NH2+]C1)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000418512978 500286777 /nfs/dbraw/zinc/28/67/77/500286777.db2.gz FOMPYCRHWDAWDO-KAGYGMCKSA-N 2 0 372.557 3.243 20 0 FGADRP c1ccc(CCOCCC[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422705434 500287522 /nfs/dbraw/zinc/28/75/22/500287522.db2.gz BZGJNFQKLXHXGM-GGAORHGYSA-N 2 0 366.505 3.481 20 0 FGADRP CCOc1ccc(Oc2cc(C[NH2+][C@@H]3CCOC[C@@H]3[C@@H](C)[NH3+])ccn2)cc1 ZINC000422710693 500288300 /nfs/dbraw/zinc/28/83/00/500288300.db2.gz LYTLWFOPYSQEOW-CDHQVMDDSA-N 2 0 371.481 3.115 20 0 FGADRP COc1cccc(OC)c1Oc1ccc(C[NH2+][C@H]2CCC[C@@H]2C[NH3+])cn1 ZINC000422719725 500289105 /nfs/dbraw/zinc/28/91/05/500289105.db2.gz MHTGIQNPEPAJCM-CVEARBPZSA-N 2 0 357.454 3.108 20 0 FGADRP C[C@H]([NH2+]Cc1ccc(OCCOc2ccc(Cl)cc2)cc1)C1C[NH2+]C1 ZINC000422719242 500289252 /nfs/dbraw/zinc/28/92/52/500289252.db2.gz YEWODNSTHYCLQX-HNNXBMFYSA-N 2 0 360.885 3.495 20 0 FGADRP COc1ccc(C[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1OC ZINC000422730810 500291759 /nfs/dbraw/zinc/29/17/59/500291759.db2.gz KLKDPCFGXWEXIA-LAUBAEHRSA-N 2 0 354.450 3.049 20 0 FGADRP COc1ccc([C@@H](NCc2ccc(F)c(C[NH+](C)C)c2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422745333 500293052 /nfs/dbraw/zinc/29/30/52/500293052.db2.gz MDACLELGHNVDKN-FCHUYYIVSA-N 2 0 371.500 3.479 20 0 FGADRP COc1ccc([C@H](C[NH2+][C@H](C)c2ccc(C[NH3+])nc2C)N2CCCC2)cc1 ZINC000422752472 500294029 /nfs/dbraw/zinc/29/40/29/500294029.db2.gz HDICBXCKBTZEBD-ZHRRBRCNSA-N 2 0 368.525 3.345 20 0 FGADRP FC(F)Oc1ccccc1N1CC[C@H]([NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)C1 ZINC000422756781 500294624 /nfs/dbraw/zinc/29/46/24/500294624.db2.gz IAMCQOODBFTMHQ-MWDXBVQZSA-N 2 0 365.468 3.377 20 0 FGADRP CCCN(C(=O)N[C@@H]1CC[NH2+]C[C@@H]1C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000418602543 500296229 /nfs/dbraw/zinc/29/62/29/500296229.db2.gz VUOBBTZYDYXNML-SESVDKBCSA-N 2 0 372.557 3.071 20 0 FGADRP COc1ccc(C)cc1CC[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422794302 500297926 /nfs/dbraw/zinc/29/79/26/500297926.db2.gz YOWNOWAWXIUJRI-DENIHFKCSA-N 2 0 352.478 3.392 20 0 FGADRP CC(C)(C)CC[NH+]1CCN(C(=O)N[C@@H](CCC[NH3+])c2ccccc2)CC1 ZINC000418653427 500301113 /nfs/dbraw/zinc/30/11/13/500301113.db2.gz AMFDJFZSQRRGLU-IBGZPJMESA-N 2 0 360.546 3.230 20 0 FGADRP Cc1cccc(N2CC[NH+](CCCC[NH2+][C@H](C)c3cnccc3N)CC2)c1 ZINC000422809645 500301391 /nfs/dbraw/zinc/30/13/91/500301391.db2.gz MKDCYMXEYMKKEK-LJQANCHMSA-N 2 0 367.541 3.056 20 0 FGADRP [NH3+]CCC[C@H](NC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)c1ccccc1 ZINC000418660608 500303530 /nfs/dbraw/zinc/30/35/30/500303530.db2.gz OFEGXMZMKPTDGY-JBACZVJFSA-N 2 0 370.541 3.125 20 0 FGADRP c1ccc2c(c1)O[C@@]1(CC[NH2+]C1)C[C@H]2NC1CC[NH+](C2CCCC2)CC1 ZINC000422835856 500303899 /nfs/dbraw/zinc/30/38/99/500303899.db2.gz JGCRGHRNLVAUAC-IRLDBZIGSA-N 2 0 355.526 3.239 20 0 FGADRP CCOc1ccc(C[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1OC ZINC000422847558 500305338 /nfs/dbraw/zinc/30/53/38/500305338.db2.gz RTAPNUPKWRBGOQ-XMSQKQJNSA-N 2 0 368.477 3.439 20 0 FGADRP C[C@H](CCCC[NH3+])NC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000418687593 500308060 /nfs/dbraw/zinc/30/80/60/500308060.db2.gz DNJBEGCUPJRDEN-WSTZPKSXSA-N 2 0 360.546 3.198 20 0 FGADRP COc1cc(OC)c(CC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)c(OC)c1 ZINC000422885240 500311067 /nfs/dbraw/zinc/31/10/67/500311067.db2.gz GOHBUSBNDFSGSE-QXAKKESOSA-N 2 0 362.514 3.155 20 0 FGADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]Cc1ccc(N2CCCCCC2)nc1 ZINC000422891360 500311414 /nfs/dbraw/zinc/31/14/14/500311414.db2.gz KIWGVSXDFXIXNS-MRXNPFEDSA-N 2 0 353.514 3.475 20 0 FGADRP COc1ccc(C2(C[NH2+][C@@H](C)c3ccc(C[NH3+])nc3C)CCOCC2)cc1 ZINC000422895145 500312615 /nfs/dbraw/zinc/31/26/15/500312615.db2.gz FDEKYHLZSSEQQR-INIZCTEOSA-N 2 0 369.509 3.256 20 0 FGADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]C[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000422900426 500313742 /nfs/dbraw/zinc/31/37/42/500313742.db2.gz QKSXYHSJJXQKRT-RVKKMQEKSA-N 2 0 366.347 3.253 20 0 FGADRP C[NH2+]CC1CC[NH+](CC(=O)N[C@H](CC(C)(C)C)c2ccc(F)cc2)CC1 ZINC000430964870 500314371 /nfs/dbraw/zinc/31/43/71/500314371.db2.gz JEIFKNWVKZDNPZ-LJQANCHMSA-N 2 0 363.521 3.351 20 0 FGADRP COc1cccc(N2CC[C@H](C[NH2+][C@@H](C)c3ccc(C[NH3+])nc3C)C2)c1 ZINC000422906868 500314632 /nfs/dbraw/zinc/31/46/32/500314632.db2.gz VXYZFYQMHVUWER-DOTOQJQBSA-N 2 0 354.498 3.034 20 0 FGADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]CCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000422905350 500314901 /nfs/dbraw/zinc/31/49/01/500314901.db2.gz HZAPPXKGBIXIMA-PMOQBDJRSA-N 3 0 373.585 3.063 20 0 FGADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+][C@@H]1CCCN(Cc2c(F)cccc2F)C1 ZINC000422905396 500314939 /nfs/dbraw/zinc/31/49/39/500314939.db2.gz IGPVWGXKXWTYOP-CECAUBDESA-N 2 0 373.491 3.477 20 0 FGADRP C[NH+](C)CCOc1cccc(N[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000422913004 500315157 /nfs/dbraw/zinc/31/51/57/500315157.db2.gz OUARJIPISMJGQQ-UNMCSNQZSA-N 2 0 367.493 3.295 20 0 FGADRP CCOC(=O)C1([C@H](C)[NH2+]C[C@H](C)Oc2cccc(Cl)c2)CC[NH2+]CC1 ZINC000422917052 500316191 /nfs/dbraw/zinc/31/61/91/500316191.db2.gz FJCCQJPRLSNARW-GJZGRUSLSA-N 2 0 368.905 3.018 20 0 FGADRP CC[NH+]1CCN(Cc2ccc(N[C@@H]3C[C@H]([NH3+])c4ccccc43)cc2)CC1 ZINC000422916280 500316502 /nfs/dbraw/zinc/31/65/02/500316502.db2.gz DFJRVIYQJGYABN-FCHUYYIVSA-N 2 0 350.510 3.381 20 0 FGADRP CC[NH+]1CCN(Cc2ccc(N[C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)cc2)CC1 ZINC000422915282 500316524 /nfs/dbraw/zinc/31/65/24/500316524.db2.gz APVCFNKVJAVHQE-BHDDXSALSA-N 2 0 356.558 3.157 20 0 FGADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]Cc1ccc(C(=O)N2CCCCC2)cc1 ZINC000422927759 500318363 /nfs/dbraw/zinc/31/83/63/500318363.db2.gz GZFQEOOLNLUAMX-MRXNPFEDSA-N 2 0 366.509 3.326 20 0 FGADRP C[C@@H]1C[NH+](CCC2CC[NH+](CCOc3ccc(F)cc3)CC2)C[C@@H](C)O1 ZINC000426778686 500319605 /nfs/dbraw/zinc/31/96/05/500319605.db2.gz ZWOYJTORDGCGJP-QZTJIDSGSA-N 2 0 364.505 3.416 20 0 FGADRP Clc1ccc(OCCCC[NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000422937748 500319639 /nfs/dbraw/zinc/31/96/39/500319639.db2.gz OOIDXBYUHZZLFV-GUDVDZBRSA-N 2 0 352.906 3.246 20 0 FGADRP C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)NCCC[C@H]2CCC[NH2+]2)CC1 ZINC000418763177 500319849 /nfs/dbraw/zinc/31/98/49/500319849.db2.gz HUOTWGOXBBZXCW-AZUAARDMSA-N 2 0 364.578 3.205 20 0 FGADRP C[C@@H](C[C@H]1CCCCC[NH2+]1)Nc1ccc(N2CCC([NH+](C)C)CC2)cn1 ZINC000422955455 500323505 /nfs/dbraw/zinc/32/35/05/500323505.db2.gz LXCNQTBDKPSKHY-ZWKOTPCHSA-N 2 0 359.562 3.335 20 0 FGADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CCNc1cccc(Br)c1 ZINC000422961176 500323858 /nfs/dbraw/zinc/32/38/58/500323858.db2.gz AYVXQSXBIBZGLS-GFCCVEGCSA-N 2 0 363.303 3.374 20 0 FGADRP O=C1C[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)CN1c1ccccc1Cl ZINC000422960543 500323952 /nfs/dbraw/zinc/32/39/52/500323952.db2.gz WVLBCYXYSWHGNA-BURFUSLBSA-N 2 0 361.917 3.346 20 0 FGADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(OCCOc2ccccc2)nc1 ZINC000422971507 500325532 /nfs/dbraw/zinc/32/55/32/500325532.db2.gz IUWUFCYQHNGGDE-UYAOXDASSA-N 2 0 355.482 3.147 20 0 FGADRP CC(C)C[N@@H+]1CCC[C@H](CN[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000423001399 500329528 /nfs/dbraw/zinc/32/95/28/500329528.db2.gz WWWHDVWFTUTNMY-SYYKKAFVSA-N 2 0 357.542 3.200 20 0 FGADRP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@@H]2[NH2+]Cc1ccnc(OC2CCC2)c1 ZINC000423008455 500330339 /nfs/dbraw/zinc/33/03/39/500330339.db2.gz AJBVHROCHHWUPB-SIKLNZKXSA-N 2 0 365.477 3.358 20 0 FGADRP CN1CC[C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000423021241 500331795 /nfs/dbraw/zinc/33/17/95/500331795.db2.gz DTLYNFSVZFCAJE-OOCLLEHJSA-N 2 0 351.897 3.345 20 0 FGADRP COc1cc(Br)ccc1CCC[NH2+][C@H]1CC[NH2+]CC[C@@H]1C ZINC000423028386 500333085 /nfs/dbraw/zinc/33/30/85/500333085.db2.gz GJFFUIHOTXMZGT-BBRMVZONSA-N 2 0 355.320 3.368 20 0 FGADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CCc1ccc(OCC(F)(F)F)nc1 ZINC000423044383 500334386 /nfs/dbraw/zinc/33/43/86/500334386.db2.gz AKWANZXEGIECGO-ZBFHGGJFSA-N 2 0 359.436 3.466 20 0 FGADRP Cc1cc(Br)cn2cc(CC[NH2+]C3CCC(C[NH3+])CC3)nc12 ZINC000423039718 500334444 /nfs/dbraw/zinc/33/44/44/500334444.db2.gz RFKNIRBYMLEUFO-UHFFFAOYSA-N 2 0 365.319 3.055 20 0 FGADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+][C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000423088083 500340592 /nfs/dbraw/zinc/34/05/92/500340592.db2.gz PKDVDBBGMZRMLA-UNEWFSDZSA-N 2 0 352.320 3.006 20 0 FGADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+][C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000423088080 500340699 /nfs/dbraw/zinc/34/06/99/500340699.db2.gz PKDVDBBGMZRMLA-FRFSOERESA-N 2 0 352.320 3.006 20 0 FGADRP CCN1CCO[C@@H](C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)[C@@H]1c1ccccc1 ZINC000423102805 500342393 /nfs/dbraw/zinc/34/23/93/500342393.db2.gz KOIODMPGOWIUJV-CCSDVLNMSA-N 2 0 371.569 3.349 20 0 FGADRP CCOC(=O)C1([C@H](C)[NH2+][C@H](C)c2ccc(SC)cc2)CC[NH2+]CC1 ZINC000423106961 500343252 /nfs/dbraw/zinc/34/32/52/500343252.db2.gz RYZULNYICPOGRR-CABCVRRESA-N 2 0 350.528 3.381 20 0 FGADRP C[C@H](CCC[NH3+])[NH2+][C@H](C)CCc1ccc(I)cc1 ZINC000423106333 500343317 /nfs/dbraw/zinc/34/33/17/500343317.db2.gz ZQPJJGWQRCFINC-CHWSQXEVSA-N 2 0 360.283 3.329 20 0 FGADRP CCOC(=O)C1([C@H](C)[NH2+]Cc2cccc(SCC)c2)CC[NH2+]CC1 ZINC000423124337 500345078 /nfs/dbraw/zinc/34/50/78/500345078.db2.gz GFABFYXOTZDWAF-HNNXBMFYSA-N 2 0 350.528 3.210 20 0 FGADRP FC(F)(F)[C@H](C[NH2+][C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1)Cc1ccccc1 ZINC000423125306 500345980 /nfs/dbraw/zinc/34/59/80/500345980.db2.gz QHYBRJXVZHBBHU-WNRNVDISSA-N 2 0 356.432 3.154 20 0 FGADRP C[C@H](CCCC[NH3+])[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000423129203 500346817 /nfs/dbraw/zinc/34/68/17/500346817.db2.gz FBFRYKHWYAANLT-CTNGQTDRSA-N 3 0 359.558 3.022 20 0 FGADRP CCc1ccc([C@H](CN[C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)[NH+](CC)CC)cc1 ZINC000423137841 500347089 /nfs/dbraw/zinc/34/70/89/500347089.db2.gz XAUUPLFYDJQHSZ-GPJHCHHRSA-N 2 0 373.585 3.379 20 0 FGADRP CCOC(=O)C1([C@@H](C)[NH2+][C@@H]2CCCc3c(F)cc(F)cc32)CC[NH2+]CC1 ZINC000423144519 500348010 /nfs/dbraw/zinc/34/80/10/500348010.db2.gz HHXJDFZMJAINIK-FZKQIMNGSA-N 2 0 366.452 3.253 20 0 FGADRP CCOC(=O)C1([C@H](C)[NH2+][C@H]2CCc3cc(F)c(F)c(F)c32)CC[NH2+]CC1 ZINC000423154051 500349287 /nfs/dbraw/zinc/34/92/87/500349287.db2.gz IOVKQKSMGULPKS-FZMZJTMJSA-N 2 0 370.415 3.002 20 0 FGADRP Fc1ccc([C@@H]([NH2+]CCCN2CC[NH2+]CC2)c2ccccc2Cl)cc1 ZINC000423178061 500352068 /nfs/dbraw/zinc/35/20/68/500352068.db2.gz FPTGGQTVQPJODN-HXUWFJFHSA-N 2 0 361.892 3.453 20 0 FGADRP COc1ccc(Cc2nc(C)c([C@H](C)[NH2+]C[C@H](C)C[NH3+])s2)cc1OC ZINC000423296221 500362566 /nfs/dbraw/zinc/36/25/66/500362566.db2.gz GJQFHSAPFYXKOT-OLZOCXBDSA-N 2 0 363.527 3.305 20 0 FGADRP CCc1ccc([C@@H]([NH2+]CCCC[NH3+])c2cccc(S(C)(=O)=O)c2)cc1 ZINC000423333708 500364776 /nfs/dbraw/zinc/36/47/76/500364776.db2.gz SCVQSRBPLCIOPQ-HXUWFJFHSA-N 2 0 360.523 3.070 20 0 FGADRP COc1ccc(Cc2nc(C)c([C@@H](C)[NH2+]CCCC[NH3+])s2)cc1OC ZINC000423339926 500365568 /nfs/dbraw/zinc/36/55/68/500365568.db2.gz SGMDRHXEADKTJH-CYBMUJFWSA-N 2 0 363.527 3.449 20 0 FGADRP COCCC[C@H]([NH2+]CC1=CC[NH2+]CC1)c1ccc(Br)cc1 ZINC000423348374 500365923 /nfs/dbraw/zinc/36/59/23/500365923.db2.gz SSMICHMMOVWTEV-KRWDZBQOSA-N 2 0 353.304 3.426 20 0 FGADRP C[NH2+]CCc1ccccc1C(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000423353490 500366978 /nfs/dbraw/zinc/36/69/78/500366978.db2.gz DJYNPNLSYRGWAL-MOPGFXCFSA-N 2 0 357.542 3.175 20 0 FGADRP CC(C)[C@@H]([NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc(F)c(F)c1 ZINC000423391013 500369709 /nfs/dbraw/zinc/36/97/09/500369709.db2.gz OYOSDJUXEDOZHS-HZPDHXFCSA-N 2 0 365.390 3.088 20 0 FGADRP COCC1(C[NH2+][C@H](C)c2ccc(Br)cc2F)CC[NH2+]CC1 ZINC000423407200 500371112 /nfs/dbraw/zinc/37/11/12/500371112.db2.gz LXQQWYZQJPIHPB-GFCCVEGCSA-N 2 0 359.283 3.255 20 0 FGADRP COC[C@]1(CN[C@@H](c2cccc(OC(F)(F)F)c2)C2CC2)CCC[NH2+]1 ZINC000423417233 500373221 /nfs/dbraw/zinc/37/32/21/500373221.db2.gz SCDDIXWSCTWIDV-IAGOWNOFSA-N 2 0 358.404 3.395 20 0 FGADRP CC(C)Cc1cccc([C@H](C)[NH2+][C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)c1 ZINC000423457711 500376096 /nfs/dbraw/zinc/37/60/96/500376096.db2.gz PHOIYNUKUDQOPA-AQKFKSFVSA-N 2 0 357.542 3.183 20 0 FGADRP O=C1c2ccccc2C(=O)N1[C@@H]1CCCC[C@@H]([NH2+]CCC[C@H]2CCC[NH2+]2)C1 ZINC000423470986 500376491 /nfs/dbraw/zinc/37/64/91/500376491.db2.gz DSBHJYXLSUUCAH-KZNAEPCWSA-N 2 0 369.509 3.106 20 0 FGADRP COC(=O)C[C@@H]1CC[C@@H]([NH2+]C[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)[C@H]1C ZINC000423481934 500378170 /nfs/dbraw/zinc/37/81/70/500378170.db2.gz XDGYXNYCUDYPPJ-MBKANNOKSA-N 2 0 362.489 3.086 20 0 FGADRP O=C(C[C@H]1CCC[NH2+]CC1)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000427332807 500382351 /nfs/dbraw/zinc/38/23/51/500382351.db2.gz VNFWUOKYMWXHQE-REWPJTCUSA-N 2 0 369.553 3.281 20 0 FGADRP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H](N[C@@H]4C[NH2+]C[C@H]4c4ccccc4)[C@H]3C2)cc1 ZINC000423525583 500382554 /nfs/dbraw/zinc/38/25/54/500382554.db2.gz KLWUUYBXMPDMDZ-QCCYXRBGSA-N 2 0 361.533 3.242 20 0 FGADRP C[C@H]([NH2+]CC1([NH3+])C2CC3CC(C2)CC1C3)c1ccc(OCC[NH+](C)C)cc1 ZINC000423529655 500383309 /nfs/dbraw/zinc/38/33/09/500383309.db2.gz QFLRFHFLEYEWEH-WZCXMZMXSA-N 3 0 371.569 3.431 20 0 FGADRP COc1ccc([C@H](C)[NH2+]Cc2ccncc2OCC[NH+](C)C)c(C)c1OC ZINC000570545906 506192422 /nfs/dbraw/zinc/19/24/22/506192422.db2.gz AVPJUSJVZAUKHQ-INIZCTEOSA-N 2 0 373.497 3.198 20 0 FGADRP CCO[C@@H]1C[C@@H]([NH2+]CC2(N)CC[NH+](Cc3ccccc3)CC2)C12CCCC2 ZINC000423557113 500384654 /nfs/dbraw/zinc/38/46/54/500384654.db2.gz INIXCIPAMYKHOF-NHCUHLMSSA-N 2 0 371.569 3.307 20 0 FGADRP COc1cccc([C@@H](C)[NH2+]CC2(N)CC[NH+](Cc3ccccc3)CC2)c1 ZINC000423578406 500386080 /nfs/dbraw/zinc/38/60/80/500386080.db2.gz UMQOFYKARWPFCZ-GOSISDBHSA-N 2 0 353.510 3.339 20 0 FGADRP C[NH+](C)Cc1ccccc1C(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000423625636 500390609 /nfs/dbraw/zinc/39/06/09/500390609.db2.gz RHEKKNLEKSMXSW-UHFFFAOYSA-N 2 0 351.372 3.478 20 0 FGADRP C[NH+](C)[C@@H](CNC(=O)C[C@H](c1ccccc1)[NH+](C)C)c1cccc(F)c1 ZINC000431557918 500391831 /nfs/dbraw/zinc/39/18/31/500391831.db2.gz GFTZDJYECFOAAK-UXHICEINSA-N 2 0 357.473 3.238 20 0 FGADRP C[C@]1([NH3+])CCCC[C@H]1C(=O)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000423753283 500399342 /nfs/dbraw/zinc/39/93/42/500399342.db2.gz XDGFYTVMEJXUOT-UNMCSNQZSA-N 2 0 357.542 3.061 20 0 FGADRP CC(C)[C@H]([NH3+])C(=O)NC1CCN(Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000423817789 500405648 /nfs/dbraw/zinc/40/56/48/500405648.db2.gz ZORWEOCUEQEKRU-INIZCTEOSA-N 2 0 358.313 3.057 20 0 FGADRP CC[NH+](CC)C[C@H]1CCCC[C@H]1NC(=O)NCCC1CC[NH+](CC)CC1 ZINC000431687744 500409272 /nfs/dbraw/zinc/40/92/72/500409272.db2.gz RANLWBDMBASYNM-WOJBJXKFSA-N 2 0 366.594 3.308 20 0 FGADRP C[C@@H]1C[C@H](CCNC(=O)C[C@@H]2CCCC[C@@H]2[NH3+])C[N@@H+]1Cc1ccccc1 ZINC000423912572 500418614 /nfs/dbraw/zinc/41/86/14/500418614.db2.gz WERLGGJKKDGBDJ-HZEGPAAWSA-N 2 0 357.542 3.311 20 0 FGADRP C[NH+](C)CCOc1ccc(CNC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)cc1 ZINC000431763811 500421370 /nfs/dbraw/zinc/42/13/70/500421370.db2.gz XJURVKHHIKBGSY-OAQYLSRUSA-N 2 0 373.541 3.040 20 0 FGADRP C[NH2+]CC1CC[NH+]([C@@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)CC1 ZINC000420291789 500434829 /nfs/dbraw/zinc/43/48/29/500434829.db2.gz KVCYTINUUVIQJB-HXUWFJFHSA-N 2 0 355.457 3.437 20 0 FGADRP COc1ccc([C@H](C[NH3+])C[N@H+](CCCO)[C@@H]2CCCc3ccccc32)cc1 ZINC000420293760 500435280 /nfs/dbraw/zinc/43/52/80/500435280.db2.gz AJXWBSNSGAWYCJ-NFBKMPQASA-N 2 0 368.521 3.500 20 0 FGADRP O=C(N[C@H]1CCC[N@H+](CC[C@H]2CCC[NH2+]C2)C1)c1ccc2ccccc2c1 ZINC000420296761 500436191 /nfs/dbraw/zinc/43/61/91/500436191.db2.gz DTZDRWFBVBKCFO-GCJKJVERSA-N 2 0 365.521 3.424 20 0 FGADRP CCOc1ccccc1[C@@H](CC)NC(=O)C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000420334618 500443108 /nfs/dbraw/zinc/44/31/08/500443108.db2.gz JMLSLHAZDYXIOZ-WOJBJXKFSA-N 2 0 373.541 3.117 20 0 FGADRP C[C@H](C(=O)Nc1ccc(Cl)c(Cl)c1)[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420330880 500443259 /nfs/dbraw/zinc/44/32/59/500443259.db2.gz IHEPZQMFTZXLCE-UPJWGTAASA-N 2 0 356.297 3.252 20 0 FGADRP CCCN(Cc1ccc(C)cc1)C(=O)C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420335007 500443824 /nfs/dbraw/zinc/44/38/24/500443824.db2.gz HAMYLCNKWNJHDH-SFTDATJTSA-N 2 0 357.542 3.055 20 0 FGADRP CCCN(Cc1ccc(C)cc1)C(=O)C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000420337396 500444131 /nfs/dbraw/zinc/44/41/31/500444131.db2.gz JYXPMPPSWJTLJM-NRFANRHFSA-N 2 0 357.542 3.198 20 0 FGADRP C[C@@H](c1ccc(OC(F)(F)F)cc1)[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000420337949 500444222 /nfs/dbraw/zinc/44/42/22/500444222.db2.gz XLOPQOAHUQJNPL-ZFWWWQNUSA-N 2 0 358.404 3.334 20 0 FGADRP [NH3+][C@H]1CCCO[C@@H]1C1CC[NH+](CCOc2ccc(F)cc2Cl)CC1 ZINC000420376573 500450027 /nfs/dbraw/zinc/45/00/27/500450027.db2.gz JZAZABGHDZSLHB-FUHWJXTLSA-N 2 0 356.869 3.076 20 0 FGADRP COCc1cccc(OCC2(C[N@@H+]3CCC[C@]4(CC[NH2+]C4)C3)CCC2)c1 ZINC000420381656 500451719 /nfs/dbraw/zinc/45/17/19/500451719.db2.gz RZBISAFXHCNYJE-OAQYLSRUSA-N 2 0 358.526 3.458 20 0 FGADRP CCCOc1ccc(OCC[NH+]2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)cc1 ZINC000420394127 500454891 /nfs/dbraw/zinc/45/48/91/500454891.db2.gz RDYZPYGFDQDWQO-WIYYLYMNSA-N 2 0 362.514 3.073 20 0 FGADRP C[C@H]1CC[N@H+](CCC(=O)NC(c2ccccc2)c2ccccc2)C[C@H]1C[NH3+] ZINC000420400151 500455269 /nfs/dbraw/zinc/45/52/69/500455269.db2.gz IJEATHPHJPYQKL-GHTZIAJQSA-N 2 0 365.521 3.199 20 0 FGADRP C[C@@H]([NH2+]CCC1CC[NH2+]CC1)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000420407202 500456956 /nfs/dbraw/zinc/45/69/56/500456956.db2.gz OEXLMYAJUAYAPZ-MRXNPFEDSA-N 2 0 352.482 3.374 20 0 FGADRP C[C@H]1CC2(C[N@@H+]1[C@H]1CCN(c3ccc(Cl)c(F)c3)C1=O)CC[NH2+]CC2 ZINC000424287030 500481476 /nfs/dbraw/zinc/48/14/76/500481476.db2.gz IFDGZFLLFPDBCT-GUYCJALGSA-N 2 0 365.880 3.048 20 0 FGADRP CC[C@@H]1c2ccsc2CCN1C(=O)C[N@@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424297563 500483309 /nfs/dbraw/zinc/48/33/09/500483309.db2.gz SXUMLTSEGJHPIE-NVXWUHKLSA-N 2 0 361.555 3.048 20 0 FGADRP O=C1CCCN1CCC[NH2+][C@@H]1CCCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000428235387 500484628 /nfs/dbraw/zinc/48/46/28/500484628.db2.gz CNIUTZCTRAUMIF-FDFHNCONSA-N 2 0 369.553 3.279 20 0 FGADRP COc1cc2[nH+]ccc(N3CC[C@H]4C[NH2+]C[C@H]4C3)c2cc1Br ZINC000424407885 500498758 /nfs/dbraw/zinc/49/87/58/500498758.db2.gz CRHCPBAKHQTSOK-RYUDHWBXSA-N 2 0 362.271 3.052 20 0 FGADRP C[C@H](NC(=O)NC1CCC([NH+](C)C)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000420827061 500510526 /nfs/dbraw/zinc/51/05/26/500510526.db2.gz RARHVCPLTBZCON-FNOBOGDDSA-N 2 0 372.557 3.069 20 0 FGADRP CCC[NH+]1CCN(c2ccccc2C[N@@H+]2CCC[C@](CC)(CO)C2)CC1 ZINC000428468170 500513868 /nfs/dbraw/zinc/51/38/68/500513868.db2.gz MRAQUJPIXHLHDF-QFIPXVFZSA-N 2 0 359.558 3.203 20 0 FGADRP C[C@@H]1C[N@H+](CCC[NH2+][C@@H]2CCCOc3cc4c(cc32)CCC4)CCCO1 ZINC000432421677 500514486 /nfs/dbraw/zinc/51/44/86/500514486.db2.gz AOHDMENCZKOWTH-DYESRHJHSA-N 2 0 358.526 3.480 20 0 FGADRP CC(C)(CO)[C@H]([NH2+]Cc1cccc(CN2CCOCC2)c1)c1ccccc1 ZINC000420921919 500530710 /nfs/dbraw/zinc/53/07/10/500530710.db2.gz MXUYVNSGTMRXPA-JOCHJYFZSA-N 2 0 368.521 3.368 20 0 FGADRP CC[NH+]1CCC(N2CCC[N@H+](Cc3ccc(OC(F)F)cc3)CC2)CC1 ZINC000420979262 500546651 /nfs/dbraw/zinc/54/66/51/500546651.db2.gz KCXGGWCESXMCPI-UHFFFAOYSA-N 2 0 367.484 3.280 20 0 FGADRP CC[NH+](CC)[C@@H](C(=O)N1CCC([NH3+])CC1)c1cccc(C(F)(F)F)c1 ZINC000428742802 500551951 /nfs/dbraw/zinc/55/19/51/500551951.db2.gz DKUCFEQHVVOHCX-MRXNPFEDSA-N 2 0 357.420 3.038 20 0 FGADRP CC(CC[NH+]1CCC[C@H](CCO)CC1)CC[N@@H+]1CCC[C@H](CCO)CC1 ZINC000421015992 500555071 /nfs/dbraw/zinc/55/50/71/500555071.db2.gz LXURDWRTLCXYAB-VXKWHMMOSA-N 2 0 368.606 3.372 20 0 FGADRP COC(=O)CC1(C[N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)CC1 ZINC000433053225 500614400 /nfs/dbraw/zinc/61/44/00/500614400.db2.gz PODMQNXGDJWVEX-UHFFFAOYSA-N 2 0 356.510 3.318 20 0 FGADRP C[N@H+](CCC(=O)Nc1cccc(C(F)(F)F)c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442758728 500621281 /nfs/dbraw/zinc/62/12/81/500621281.db2.gz JCDYQIZPOQEMNT-XYPWUTKMSA-N 2 0 355.404 3.249 20 0 FGADRP CC[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433116898 500629682 /nfs/dbraw/zinc/62/96/82/500629682.db2.gz NHMHLHHYLJPCSN-LEWJYISDSA-N 2 0 357.542 3.375 20 0 FGADRP Cc1csc(Nc2ccc(NC(=O)CCC[NH+]3CCC([NH3+])CC3)cc2)n1 ZINC000433126029 500631541 /nfs/dbraw/zinc/63/15/41/500631541.db2.gz AUOPNMWIVWTKSI-UHFFFAOYSA-N 2 0 373.526 3.337 20 0 FGADRP [NH3+]C1CC[NH+](CCCC(=O)N[C@@H](c2ccccc2)c2cccc(F)c2)CC1 ZINC000433140320 500633706 /nfs/dbraw/zinc/63/37/06/500633706.db2.gz GKCUNSAJVGVJSG-QFIPXVFZSA-N 2 0 369.484 3.235 20 0 FGADRP [NH3+]C1CC[NH+](CCCC(=O)NC2(c3c(Cl)cccc3Cl)CC2)CC1 ZINC000433150536 500635175 /nfs/dbraw/zinc/63/51/75/500635175.db2.gz LSDXPWBUWRZJOI-UHFFFAOYSA-N 2 0 370.324 3.302 20 0 FGADRP [NH3+]C1CC[NH+](CCCC(=O)N2CCC[C@H]2Cc2ccccc2Cl)CC1 ZINC000433152387 500635876 /nfs/dbraw/zinc/63/58/76/500635876.db2.gz RCJLCYFMTCRIDI-SFHVURJKSA-N 2 0 363.933 3.077 20 0 FGADRP [NH3+]C1CC[NH+](CCCC(=O)Nc2ccc3nc(C4CC4)sc3c2)CC1 ZINC000433169940 500638289 /nfs/dbraw/zinc/63/82/89/500638289.db2.gz UCLKIDFOPDYINF-UHFFFAOYSA-N 2 0 358.511 3.316 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)N[C@H](C)C(C)(C)C[NH+](C)C)c1ccsc1 ZINC000443232190 500699119 /nfs/dbraw/zinc/69/91/19/500699119.db2.gz BAKJBCHQSMUBPQ-WBVHZDCISA-N 2 0 368.591 3.407 20 0 FGADRP C[C@H](Cc1ccccc1F)[NH2+]Cc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000438090712 500736721 /nfs/dbraw/zinc/73/67/21/500736721.db2.gz VNUGJKWNGHZQST-GOSISDBHSA-N 2 0 355.501 3.294 20 0 FGADRP c1cc(-c2n[nH]cc2C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)cs1 ZINC000438119545 500740891 /nfs/dbraw/zinc/74/08/91/500740891.db2.gz PSHPYDLWSQXARV-UHFFFAOYSA-N 2 0 360.527 3.215 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)C1 ZINC000570693688 506214191 /nfs/dbraw/zinc/21/41/91/506214191.db2.gz RJTADPDAZZTTJF-BMQTXXJKSA-N 2 0 372.557 3.091 20 0 FGADRP C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000443644686 500748632 /nfs/dbraw/zinc/74/86/32/500748632.db2.gz AASLIKBWPPXGOQ-WIYYLYMNSA-N 2 0 372.557 3.154 20 0 FGADRP CCCC[NH+]1CCC(NC(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)CC1 ZINC000438165210 500749055 /nfs/dbraw/zinc/74/90/55/500749055.db2.gz ZZSOHLWDHKJKGK-FQEVSTJZSA-N 2 0 364.578 3.347 20 0 FGADRP CC[NH+](CC)CC1CCN(C(=O)NC[C@H]2CCC[N@H+](CC(C)C)C2)CC1 ZINC000448471345 500763064 /nfs/dbraw/zinc/76/30/64/500763064.db2.gz KLNWJDTUZRRZNJ-HXUWFJFHSA-N 2 0 366.594 3.118 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@@H]2CCC[NH+]2C2CCCCC2)[C@@H](C)C1 ZINC000438329649 500770716 /nfs/dbraw/zinc/77/07/16/500770716.db2.gz RFOTXGSTVPYVLW-IHPCNDPISA-N 2 0 364.578 3.155 20 0 FGADRP Cc1ccncc1CCC[N@@H+]1CCC[C@H](CNC(=O)CC(F)(F)F)C1 ZINC000570727694 506215443 /nfs/dbraw/zinc/21/54/43/506215443.db2.gz FYBWMLCAEGCQHX-OAHLLOKOSA-N 2 0 357.420 3.103 20 0 FGADRP CCCC[N@H+](C)CC1CCN(C(=O)[C@@H]([NH3+])Cc2c[nH]c3ccccc23)CC1 ZINC000438890550 500832373 /nfs/dbraw/zinc/83/23/73/500832373.db2.gz ATWGXYOEGSPZKB-FQEVSTJZSA-N 2 0 370.541 3.008 20 0 FGADRP CC[N@H+](CCNC(=O)Nc1nc(CN2CCC[C@@H](C)C2)cs1)C(C)C ZINC000588181718 506223121 /nfs/dbraw/zinc/22/31/21/506223121.db2.gz ADVWVFUEUYULDO-OAHLLOKOSA-N 2 0 367.563 3.227 20 0 FGADRP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc(I)cc2)C1 ZINC000449103813 500925638 /nfs/dbraw/zinc/92/56/38/500925638.db2.gz CFCGFJNFHZHKOY-CQSZACIVSA-N 2 0 358.267 3.113 20 0 FGADRP Cc1cc(Br)c(C[NH2+][C@H](C)CN2CC[NH+](C)CC2)cc1Cl ZINC000449120794 500930340 /nfs/dbraw/zinc/93/03/40/500930340.db2.gz FGRHJWHPDMTBKZ-CYBMUJFWSA-N 2 0 374.754 3.136 20 0 FGADRP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]CC2(C(=O)N(C)C)CCCC2)CC1 ZINC000449138835 500933574 /nfs/dbraw/zinc/93/35/74/500933574.db2.gz JBPIJLPFJAOBEJ-IBGZPJMESA-N 2 0 371.569 3.320 20 0 FGADRP OC[C@H]1CCC[N@@H+]1CCCC[NH2+]Cc1cnc(-c2ccccc2F)s1 ZINC000449149199 500935404 /nfs/dbraw/zinc/93/54/04/500935404.db2.gz MNGNPDWWGZGMNT-OAHLLOKOSA-N 2 0 363.502 3.276 20 0 FGADRP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@@H]2CCN(c3ccccn3)C2)CC1 ZINC000449215204 500949714 /nfs/dbraw/zinc/94/97/14/500949714.db2.gz NDIFTGIFXNADDY-DENIHFKCSA-N 2 0 364.537 3.346 20 0 FGADRP COc1cc2ccccc2cc1C[NH2+]Cc1ccnc(OCC[NH+](C)C)c1 ZINC000449219104 500950742 /nfs/dbraw/zinc/95/07/42/500950742.db2.gz BYHGJOIULTUACO-UHFFFAOYSA-N 2 0 365.477 3.474 20 0 FGADRP C[C@@H](C[NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1cc(F)cc(F)c1 ZINC000449233772 500954023 /nfs/dbraw/zinc/95/40/23/500954023.db2.gz MZIIQRDZJRQHDX-BTYIYWSLSA-N 2 0 360.448 3.425 20 0 FGADRP CCO[C@@H]1C[C@H]([NH2+]C2CC[NH+]([C@@H](C)Cc3ccccc3)CC2)[C@]12CCCO2 ZINC000449237875 500954392 /nfs/dbraw/zinc/95/43/92/500954392.db2.gz PFBKUQBUSWSBMC-XSEFMFLKSA-N 2 0 372.553 3.398 20 0 FGADRP COc1ccc(C(=O)Nc2cccc(C[N@@H+]3C[C@H](C[NH3+])C[C@H]3C)c2)cc1 ZINC000435370268 500961415 /nfs/dbraw/zinc/96/14/15/500961415.db2.gz IFMDPYOWOMVDJH-WBVHZDCISA-N 2 0 353.466 3.117 20 0 FGADRP COc1ccc(C[NH+]2CCC([C@@H](C)[NH3+])CC2)cc1OCc1cccnc1 ZINC000435376062 500962918 /nfs/dbraw/zinc/96/29/18/500962918.db2.gz PGOLDNYSVLKBFQ-MRXNPFEDSA-N 2 0 355.482 3.228 20 0 FGADRP Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000435380896 500964595 /nfs/dbraw/zinc/96/45/95/500964595.db2.gz UHPLKIYONWCBNE-DBVUQKKJSA-N 2 0 358.917 3.371 20 0 FGADRP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+]CC2(N3CCOCC3)CC2)CC1 ZINC000449288184 500967136 /nfs/dbraw/zinc/96/71/36/500967136.db2.gz YAZRDJPOIULGCX-UHFFFAOYSA-N 2 0 351.579 3.120 20 0 FGADRP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+][C@H](CO)C[C@@H](O)C(C)(C)C)CC1 ZINC000449313026 500973862 /nfs/dbraw/zinc/97/38/62/500973862.db2.gz OBALCNDJRBCENI-ZWKOTPCHSA-N 2 0 356.595 3.413 20 0 FGADRP C[C@@H](Cc1ccccc1)C[N@H+](Cc1nccn1C)[C@H]1CC12CC[NH2+]CC2 ZINC000435432429 500974656 /nfs/dbraw/zinc/97/46/56/500974656.db2.gz IRDOBAJHBHLDNZ-ICSRJNTNSA-N 2 0 352.526 3.243 20 0 FGADRP C[C@H](Cc1ccccc1)C[N@H+](Cc1nccn1C)[C@H]1CC12CC[NH2+]CC2 ZINC000435432430 500975135 /nfs/dbraw/zinc/97/51/35/500975135.db2.gz IRDOBAJHBHLDNZ-QUCCMNQESA-N 2 0 352.526 3.243 20 0 FGADRP C[C@@H]1C[C@H]([NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)[C@H](C)O1 ZINC000449345413 500982792 /nfs/dbraw/zinc/98/27/92/500982792.db2.gz VMGATZLOZHPFKK-ZFMNYDKASA-N 2 0 358.526 3.071 20 0 FGADRP CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000440178833 500984333 /nfs/dbraw/zinc/98/43/33/500984333.db2.gz MOUMNRBNBVOMCD-FQEVSTJZSA-N 2 0 364.578 3.014 20 0 FGADRP CCC[NH+]1CCN(c2ccccc2C[N@@H+]2CC[C@@H](OC)C(C)(C)C2)CC1 ZINC000449498060 501018691 /nfs/dbraw/zinc/01/86/91/501018691.db2.gz JQRKWWMZHMUJOD-OAQYLSRUSA-N 2 0 359.558 3.466 20 0 FGADRP OC[C@@H]([C@H]([NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12)C1CC1)C1CC1 ZINC000449501461 501019792 /nfs/dbraw/zinc/01/97/92/501019792.db2.gz FNACVFZFPKGJGO-GNJRFXKQSA-N 2 0 354.538 3.284 20 0 FGADRP C[C@H](C(=O)N1CC[C@@H](C)[NH+](Cc2ccccc2)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000440670728 501037075 /nfs/dbraw/zinc/03/70/75/501037075.db2.gz NQNKIGANCCSFEX-YSTOQKLRSA-N 2 0 357.542 3.371 20 0 FGADRP [NH3+]CCC(=O)NC[C@H]1CCCC[N@@H+]1CCCc1cccc2ccccc21 ZINC000436055143 501063791 /nfs/dbraw/zinc/06/37/91/501063791.db2.gz QYFWOQRSZSCXDB-HXUWFJFHSA-N 2 0 353.510 3.092 20 0 FGADRP CO[C@H](Cc1ccccc1)C[NH+]1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000450339778 501094955 /nfs/dbraw/zinc/09/49/55/501094955.db2.gz BTGWUKYRMPARBL-CNNODRBYSA-N 2 0 360.542 3.065 20 0 FGADRP COc1ccc(C[NH2+]CCCOC2CC[NH+](Cc3ccccc3)CC2)cn1 ZINC000436293684 501103304 /nfs/dbraw/zinc/10/33/04/501103304.db2.gz DEKMFRVQCYFGEY-UHFFFAOYSA-N 2 0 369.509 3.251 20 0 FGADRP C[N@@H+]1CCN(CC[NH2+]Cc2c(Cl)cccc2N2CCCC2)CC1(C)C ZINC000441352549 501126232 /nfs/dbraw/zinc/12/62/32/501126232.db2.gz KWXMHJPBJCLVEQ-UHFFFAOYSA-N 2 0 364.965 3.056 20 0 FGADRP Cc1cccc(N2CCC([NH2+]C3CCN(c4cc[nH+]cc4)CC3)CC2)n1 ZINC000436470480 501132863 /nfs/dbraw/zinc/13/28/63/501132863.db2.gz MCCKKRNQPDKXHS-UHFFFAOYSA-N 2 0 351.498 3.012 20 0 FGADRP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)Nc2ccccc2CC[NH+](C)C)C1 ZINC000446564644 501134278 /nfs/dbraw/zinc/13/42/78/501134278.db2.gz LOOMBEIBCOLUJM-KRWDZBQOSA-N 2 0 360.546 3.423 20 0 FGADRP C[NH+](C)CCc1ccccc1NC(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000446588687 501138338 /nfs/dbraw/zinc/13/83/38/501138338.db2.gz BQYXGHUKOWONBW-UHFFFAOYSA-N 2 0 358.530 3.319 20 0 FGADRP C[C@H]1C[C@H](N(C)C(=O)NCC2([NH+](C)C)CCC2)CC[N@@H+]1Cc1ccccc1 ZINC000446619621 501143166 /nfs/dbraw/zinc/14/31/66/501143166.db2.gz HTZJZRNWCIXOIK-AZUAARDMSA-N 2 0 372.557 3.165 20 0 FGADRP CCc1cc(N2CCN([C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)cc[nH+]1 ZINC000450524211 501144679 /nfs/dbraw/zinc/14/46/79/501144679.db2.gz BHVQDGNZFNBISK-JOCHJYFZSA-N 2 0 350.510 3.041 20 0 FGADRP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)c2sccc2C[NH+](C)C)C1 ZINC000447090429 501203986 /nfs/dbraw/zinc/20/39/86/501203986.db2.gz LORRFUGYQXRDQY-HZPDHXFCSA-N 2 0 351.560 3.298 20 0 FGADRP Cc1cccc2c1CC(C)(C)[N@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)C2 ZINC000451266836 501256476 /nfs/dbraw/zinc/25/64/76/501256476.db2.gz ZYYCKCBADVKGPT-UHFFFAOYSA-N 2 0 357.542 3.121 20 0 FGADRP O=C1CCCCN1CCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000453088178 501266471 /nfs/dbraw/zinc/26/64/71/501266471.db2.gz ADLBBBFFALNMKO-BDTNDASRSA-N 2 0 369.553 3.422 20 0 FGADRP CCC(CC)[C@@H](CNC(=O)N1CC[C@]2(C1)CCC[N@H+](C)C2)[NH+]1CCCC1 ZINC000457621548 501270254 /nfs/dbraw/zinc/27/02/54/501270254.db2.gz QCQUSXXRMHUBTG-TZIWHRDSSA-N 2 0 364.578 3.014 20 0 FGADRP O=C(NCC[NH+]1CCCC1)c1ccc(C[NH2+][C@@H](C2CC2)C2CCC2)cc1 ZINC000453135139 501276290 /nfs/dbraw/zinc/27/62/90/501276290.db2.gz CWTCVRYUZBHWEQ-OAQYLSRUSA-N 2 0 355.526 3.181 20 0 FGADRP CC[C@@H]([NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1)c1ccncc1 ZINC000453138262 501276776 /nfs/dbraw/zinc/27/67/76/501276776.db2.gz HKODVMHOCXXSRZ-OAQYLSRUSA-N 2 0 366.509 3.148 20 0 FGADRP C[C@H](CCN1CCOCC1)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000453148030 501279312 /nfs/dbraw/zinc/27/93/12/501279312.db2.gz QKLCQPUIWVCPOX-CWKRKGSWSA-N 2 0 371.569 3.130 20 0 FGADRP Cc1cc(C)c(NC(=O)NCc2ccccc2CN2CCOCC2)c(C)n1 ZINC000455489126 501316392 /nfs/dbraw/zinc/31/63/92/501316392.db2.gz VMDBUYZYLCPCIA-UHFFFAOYSA-N 2 0 368.481 3.161 20 0 FGADRP Cc1cc(Br)c(C[NH2+]C(C)(C)CCN2CC[NH+](C)CC2)s1 ZINC000453577906 501352472 /nfs/dbraw/zinc/35/24/72/501352472.db2.gz YAUUTLRJQJUDNP-UHFFFAOYSA-N 2 0 374.392 3.325 20 0 FGADRP Cc1ccc([C@H](CNC(=O)NCC[C@H]2CCC[N@@H+](C)C2)[NH+]2CCCC2)cc1 ZINC000458157332 501381167 /nfs/dbraw/zinc/38/11/67/501381167.db2.gz UTYPTSMWCXETDG-CTNGQTDRSA-N 2 0 372.557 3.163 20 0 FGADRP C[NH+](C)CC1(CNC(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)CCCC1 ZINC000455849413 501400010 /nfs/dbraw/zinc/40/00/10/501400010.db2.gz KARIGHSAXZGGMA-IBGZPJMESA-N 2 0 358.530 3.479 20 0 FGADRP C[NH+](C)[C@@H]1CCc2cc(NC(=O)N3CCN(Cc4ccco4)CC3)ccc21 ZINC000455859237 501401139 /nfs/dbraw/zinc/40/11/39/501401139.db2.gz JGUIUELRZDENOO-HXUWFJFHSA-N 2 0 368.481 3.178 20 0 FGADRP C[NH+](C)[C@@H]1CCc2cc(NC(=O)NCC(C)(C)C[NH+]3CCCC3)ccc21 ZINC000455859174 501401307 /nfs/dbraw/zinc/40/13/07/501401307.db2.gz PQIJQYNKYZGPIL-LJQANCHMSA-N 2 0 358.530 3.479 20 0 FGADRP CCc1ccc([C@@H](CNC(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)[NH+](C)C)cc1 ZINC000611671566 506251341 /nfs/dbraw/zinc/25/13/41/506251341.db2.gz XIRPXHONDKWJSA-NHCUHLMSSA-N 2 0 372.557 3.122 20 0 FGADRP C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)N(CC[NH+](C)C)Cc1ccsc1 ZINC000458338268 501423264 /nfs/dbraw/zinc/42/32/64/501423264.db2.gz HQQYUBHOZWDSBN-IRXDYDNUSA-N 2 0 366.575 3.084 20 0 FGADRP CC(C)[C@H](CNC(=O)NC1CC[NH+](C2CCC2)CC1)[NH+]1CCC(C)CC1 ZINC000454262187 501495196 /nfs/dbraw/zinc/49/51/96/501495196.db2.gz JHSPZGSMWJPIIL-FQEVSTJZSA-N 2 0 364.578 3.059 20 0 FGADRP C[C@H](C[NH+]1CCCCCC1)NC(=O)N(CC[NH+](C)C)Cc1ccsc1 ZINC000458649120 501498134 /nfs/dbraw/zinc/49/81/34/501498134.db2.gz HCBGWQCNLZZLFY-QGZVFWFLSA-N 2 0 366.575 3.086 20 0 FGADRP CC[C@@H]1C[N@H+](CC)CCN1C(=O)N[C@@H](C)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000458654956 501500001 /nfs/dbraw/zinc/50/00/01/501500001.db2.gz BWDGGRFZDPKMOH-CEWLAPEOSA-N 2 0 372.557 3.023 20 0 FGADRP C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)NC2CC[NH+](C3CCC3)CC2)C1 ZINC000454316963 501511846 /nfs/dbraw/zinc/51/18/46/501511846.db2.gz HWRPUZXWUBULDE-ROUUACIJSA-N 2 0 364.578 3.061 20 0 FGADRP Cc1ccccc1[C@@H]([C@H](C)NC(=O)NC(C)(C)CCC[NH+](C)C)[NH+](C)C ZINC000458761503 501525313 /nfs/dbraw/zinc/52/53/13/501525313.db2.gz HAWKPDAQXCXGGJ-PKOBYXMFSA-N 2 0 362.562 3.406 20 0 FGADRP C[C@@H]1C[C@@H](NC(=O)NCCCC[NH+](C)C2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000454593434 501586939 /nfs/dbraw/zinc/58/69/39/501586939.db2.gz LMGMDURAWLTIFU-QUCCMNQESA-N 2 0 372.557 3.213 20 0 FGADRP CCN(C(=O)NCCCC[NH+](C)C1CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000459167017 501607037 /nfs/dbraw/zinc/60/70/37/501607037.db2.gz UCMWTMODWQDELQ-NRFANRHFSA-N 2 0 372.557 3.167 20 0 FGADRP CC[NH+](CC)CCN(Cc1ccccc1)C(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000459272132 501622900 /nfs/dbraw/zinc/62/29/00/501622900.db2.gz WXGZQBZJUSFXKX-OAQYLSRUSA-N 2 0 374.573 3.272 20 0 FGADRP CC[NH+](CC)CC1CC[NH+](Cc2cc(=O)[nH]c(-c3ccccc3)n2)CC1 ZINC000459305838 501628444 /nfs/dbraw/zinc/62/84/44/501628444.db2.gz QVMLIXKNRPJPSE-UHFFFAOYSA-N 2 0 354.498 3.403 20 0 FGADRP CC[N@H+](CCc1cn[nH]c1)C1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC000459375179 501642020 /nfs/dbraw/zinc/64/20/20/501642020.db2.gz JXKUJRPWRRGXPP-UHFFFAOYSA-N 2 0 356.518 3.165 20 0 FGADRP CC1(C)CCC[N@@H+]1CCNC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000457057061 501642332 /nfs/dbraw/zinc/64/23/32/501642332.db2.gz OCNAHWHHMPVOSW-UHFFFAOYSA-N 2 0 357.542 3.279 20 0 FGADRP Fc1cccc(N2CCC[C@@H]([NH2+]C3CCN(c4cc[nH+]cc4)CC3)C2)c1 ZINC000459418634 501650588 /nfs/dbraw/zinc/65/05/88/501650588.db2.gz SNJGOPNMIBTVBD-LJQANCHMSA-N 2 0 354.473 3.448 20 0 FGADRP CSCC[NH+]1CCC(N2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC000459518608 501668284 /nfs/dbraw/zinc/66/82/84/501668284.db2.gz YAHGAXKMBIAWIX-UHFFFAOYSA-N 2 0 353.963 3.289 20 0 FGADRP CC(C)(C[NH+]1CCCC1)NC(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000457533465 501717945 /nfs/dbraw/zinc/71/79/45/501717945.db2.gz IONVLQPGMQFFSB-UHFFFAOYSA-N 2 0 372.557 3.346 20 0 FGADRP CC[NH+](CC)CCSCC(=O)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000467287228 501758815 /nfs/dbraw/zinc/75/88/15/501758815.db2.gz FYRZHYTXTQSTQZ-LJQANCHMSA-N 2 0 369.619 3.032 20 0 FGADRP CO[C@@H]1C[NH+](Cc2cccc(C[N@@H+]3CC[C@H](C)[C@H](OC)C3)c2)CC[C@@H]1C ZINC000467290335 501760413 /nfs/dbraw/zinc/76/04/13/501760413.db2.gz IECUIIULYWIBNO-MOXQZVSFSA-N 2 0 360.542 3.400 20 0 FGADRP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+][C@@H](CC(C)C)C(=O)NCC[NH+](C)C)C1 ZINC000467358783 501776921 /nfs/dbraw/zinc/77/69/21/501776921.db2.gz MCMJWSCTAMKHBC-AABGKKOBSA-N 2 0 374.573 3.098 20 0 FGADRP C[C@@H](Cc1cccc(C(F)(F)F)c1)[NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000467368704 501779343 /nfs/dbraw/zinc/77/93/43/501779343.db2.gz IKENFDVQTIEHDN-MAUKXSAKSA-N 2 0 358.448 3.319 20 0 FGADRP CC(C)[C@@H](CNC(=O)CC[C@H]1CCCC[N@@H+]1C)[NH+]1CCc2ccccc2C1 ZINC000481498265 501792481 /nfs/dbraw/zinc/79/24/81/501792481.db2.gz RZTDBLXWRHUFNS-FGZHOGPDSA-N 2 0 371.569 3.450 20 0 FGADRP Cc1nn(C(C)C)cc1C[NH+]1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000467456362 501798766 /nfs/dbraw/zinc/79/87/66/501798766.db2.gz JWVDDELBJROHKS-QZTJIDSGSA-N 2 0 362.562 3.484 20 0 FGADRP COC(=O)c1csc(-c2cccc(C[NH2+][C@@H]3C[C@H](C)[N@H+](C)C[C@H]3C)c2)n1 ZINC000477856319 501810368 /nfs/dbraw/zinc/81/03/68/501810368.db2.gz QBZUUCMSNFPNRN-JKIFEVAISA-N 2 0 373.522 3.415 20 0 FGADRP COC(=O)c1csc(-c2cccc(C[NH2+][C@@H]3C[C@@H](C)[N@H+](C)C[C@H]3C)c2)n1 ZINC000477856314 501810532 /nfs/dbraw/zinc/81/05/32/501810532.db2.gz QBZUUCMSNFPNRN-CKEIUWERSA-N 2 0 373.522 3.415 20 0 FGADRP C[C@@H](C(=O)NCC1([NH+]2CCSCC2)CCCCC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000485427344 501818936 /nfs/dbraw/zinc/81/89/36/501818936.db2.gz CFYMVQLLNPXIRP-KURKYZTESA-N 2 0 367.603 3.116 20 0 FGADRP CC(C)C[NH+]1CCC(NC(=O)N[C@@H](C)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000477884921 501819380 /nfs/dbraw/zinc/81/93/80/501819380.db2.gz VEOUVWFMNUDFOQ-FXAWDEMLSA-N 2 0 360.546 3.097 20 0 FGADRP CC(C)[C@@H](C)NC(=O)C[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000485473343 501831011 /nfs/dbraw/zinc/83/10/11/501831011.db2.gz GNEFRLHYBPITAZ-LJQANCHMSA-N 2 0 357.542 3.135 20 0 FGADRP C[C@H]1CCC[C@@](CNC(=O)c2ccc(Nc3cc[nH+]cc3)cc2)([NH+](C)C)C1 ZINC000467958601 501913728 /nfs/dbraw/zinc/91/37/28/501913728.db2.gz KTLQAWGDYMBYJQ-HTAPYJJXSA-N 2 0 366.509 3.487 20 0 FGADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NC[C@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC000467973649 501917062 /nfs/dbraw/zinc/91/70/62/501917062.db2.gz NUVGLEQACXCKCZ-SFHLNBCPSA-N 2 0 357.542 3.449 20 0 FGADRP C[C@@H](Cc1ccccc1C(F)(F)F)[NH2+]CC1CC[NH+](CCN(C)C)CC1 ZINC000481922897 501920191 /nfs/dbraw/zinc/92/01/91/501920191.db2.gz ODUIIKRQOJDINB-INIZCTEOSA-N 2 0 371.491 3.500 20 0 FGADRP COc1cc(OC)cc(N2CC[C@H]([NH2+]CCCc3ccc(C)nc3)C2)c1 ZINC000474793872 501955113 /nfs/dbraw/zinc/95/51/13/501955113.db2.gz APGJEKHQSXZHHP-SFHVURJKSA-N 2 0 355.482 3.208 20 0 FGADRP O=C(N[C@H]1CC[N@H+](CC2CCCC2)C1)[C@H]1CCC[NH+]1Cc1ccccc1 ZINC000464327704 501955744 /nfs/dbraw/zinc/95/57/44/501955744.db2.gz FJLWVSDBGJMJJI-LEWJYISDSA-N 2 0 355.526 3.032 20 0 FGADRP COC(=O)CC1CCC([NH2+]C[C@H]2CC[N@H+](CCc3ccccc3)C2)CC1 ZINC000599027733 506284981 /nfs/dbraw/zinc/28/49/81/506284981.db2.gz QPMCVAFNJACUBK-NYLDSWQDSA-N 2 0 358.526 3.263 20 0 FGADRP CC[N@@H+]1CC[C@@H](N(C)CC(=O)NCCc2ccc(C(C)(C)C)cc2)[C@H](C)C1 ZINC000471235406 501963541 /nfs/dbraw/zinc/96/35/41/501963541.db2.gz OZPPEWMQGULTPZ-WIYYLYMNSA-N 2 0 373.585 3.305 20 0 FGADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCOc2ccc(Br)cc2)[C@@H](C)C1 ZINC000471244294 501966646 /nfs/dbraw/zinc/96/66/46/501966646.db2.gz PFOXBUREHOXWQN-WMLDXEAASA-N 2 0 355.320 3.490 20 0 FGADRP C[C@@H]1C[NH+](CCOc2ccc(CC[NH2+][C@@H]3CCOC[C@@H]3C)cc2)C[C@H]1C ZINC000474876032 501978131 /nfs/dbraw/zinc/97/81/31/501978131.db2.gz IWPLOZVRMKQHDD-NXWNEQKCSA-N 2 0 360.542 3.210 20 0 FGADRP C[C@H]1C[NH+](CC2CC[NH+](CCCc3ccc4c(c3)CCO4)CC2)C[C@H](C)O1 ZINC000482169291 501996265 /nfs/dbraw/zinc/99/62/65/501996265.db2.gz ZSYZLSJMOABFKS-OALUTQOASA-N 2 0 372.553 3.375 20 0 FGADRP C[NH+](C)C1(CNC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2)CCCCC1 ZINC000468231832 501997797 /nfs/dbraw/zinc/99/77/97/501997797.db2.gz ZLXJQBZAWDBICF-FQEVSTJZSA-N 2 0 357.542 3.422 20 0 FGADRP C[NH+](C)[C@H](CNC(=O)C[N@H+](C)CCc1ccc(Cl)cc1)c1ccccc1 ZINC000475027605 502026019 /nfs/dbraw/zinc/02/60/19/502026019.db2.gz CQHVLMJRAAEHMY-HXUWFJFHSA-N 2 0 373.928 3.233 20 0 FGADRP C[C@@H]1[C@H](c2ccccc2)CC[N@@H+]1CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000475037621 502030780 /nfs/dbraw/zinc/03/07/80/502030780.db2.gz FSROFTIZVCCJCZ-QIJUGHKUSA-N 2 0 365.521 3.284 20 0 FGADRP CCN(CCC[NH+](C)C)C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000468433691 502058211 /nfs/dbraw/zinc/05/82/11/502058211.db2.gz AGNMIHMMPZYJHA-UHFFFAOYSA-N 2 0 360.546 3.156 20 0 FGADRP C[C@@H](CNC(=O)c1ccc(Nc2cc[nH+]cc2)cc1)[N@@H+]1CCCC[C@@H]1C ZINC000468467390 502068281 /nfs/dbraw/zinc/06/82/81/502068281.db2.gz AKOVAMKZXZCLCH-IRXDYDNUSA-N 2 0 352.482 3.240 20 0 FGADRP CC[NH+](CC)Cc1cccc(CNC(=O)N2CC[C@@H]([NH+]3CCCC3)[C@H]2C)c1 ZINC000478769877 502081082 /nfs/dbraw/zinc/08/10/82/502081082.db2.gz MUQPCFJQBJBIQA-WIYYLYMNSA-N 2 0 372.557 3.297 20 0 FGADRP Cc1cc(C)cc([C@H](C)[NH2+]CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)c1 ZINC000475149551 502081618 /nfs/dbraw/zinc/08/16/18/502081618.db2.gz PJCXEXXNYHATKX-RXVVDRJESA-N 2 0 353.510 3.373 20 0 FGADRP C[C@@H](CNC(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCCC[C@H]1C ZINC000471615275 502088831 /nfs/dbraw/zinc/08/88/31/502088831.db2.gz QRMNGGYALXWZIX-DYXWJJEUSA-N 2 0 372.557 3.071 20 0 FGADRP CCN(C(=O)NCC[NH+]1CCC(C)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475170902 502088989 /nfs/dbraw/zinc/08/89/89/502088989.db2.gz OQNDOGHGJLHGQD-NRFANRHFSA-N 2 0 372.557 3.024 20 0 FGADRP CCCN(CCC[NH+](C)C)C(=O)N[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000468532960 502094445 /nfs/dbraw/zinc/09/44/45/502094445.db2.gz RPYRYDVBDOAUOQ-ICSRJNTNSA-N 2 0 360.546 3.195 20 0 FGADRP CCCC[C@H](COC)[NH2+][C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000482539349 502105814 /nfs/dbraw/zinc/10/58/14/502105814.db2.gz BWTJXADSDOFTQD-FUHWJXTLSA-N 2 0 351.510 3.433 20 0 FGADRP C[C@@H]([NH2+]CC1CC[NH+](C)CC1)c1ccccc1I ZINC000482555767 502109736 /nfs/dbraw/zinc/10/97/36/502109736.db2.gz NVAFVJOSIVLYMC-GFCCVEGCSA-N 2 0 358.267 3.284 20 0 FGADRP NC(=O)[C@H]1CCCN1CCC[NH2+][C@@H]1CCCSc2ccc(Cl)cc21 ZINC000482633881 502134038 /nfs/dbraw/zinc/13/40/38/502134038.db2.gz RXRZTKTUBWWRHM-HZPDHXFCSA-N 2 0 367.946 3.196 20 0 FGADRP COC[C@@H]1CCCC[N@H+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)C1 ZINC000468693842 502149536 /nfs/dbraw/zinc/14/95/36/502149536.db2.gz LNPYJXDSUMVNQH-LJQANCHMSA-N 2 0 359.558 3.466 20 0 FGADRP C[NH+]1CCC(O)(C[NH2+][C@H]2CC(C)(C)c3ccc(Br)cc32)CC1 ZINC000479058770 502150708 /nfs/dbraw/zinc/15/07/08/502150708.db2.gz KAOXGAZEZYNPMR-INIZCTEOSA-N 2 0 367.331 3.218 20 0 FGADRP C[N@H+](CCNC(=O)c1ccc(Nc2cc[nH+]cc2)cc1)C1CCCCC1 ZINC000468735804 502164455 /nfs/dbraw/zinc/16/44/55/502164455.db2.gz AEBXJTDVGROGTM-UHFFFAOYSA-N 2 0 352.482 3.241 20 0 FGADRP C[C@@H](C[NH+]1CCCCCC1)NC(=O)NCCCC[NH+]1CCC(C)CC1 ZINC000482745130 502168562 /nfs/dbraw/zinc/16/85/62/502168562.db2.gz MSAPGUOAQGIHJW-IBGZPJMESA-N 2 0 352.567 3.062 20 0 FGADRP Cc1c([C@H](C)[NH2+]Cc2ccc(CN3CCOCC3)cc2)cnn1C(C)C ZINC000468811686 502191067 /nfs/dbraw/zinc/19/10/67/502191067.db2.gz DIPHGXILPIPQDM-KRWDZBQOSA-N 2 0 356.514 3.455 20 0 FGADRP Cc1ccc([C@@H](CNC(=O)[C@H](C[NH3+])c2ccc(F)cc2)[NH+]2CCCC2)cc1 ZINC000479205369 502193272 /nfs/dbraw/zinc/19/32/72/502193272.db2.gz LECKGYPFRVVAQW-NHCUHLMSSA-N 2 0 369.484 3.130 20 0 FGADRP CCN(CCC[NH+]1CCCC1)C(=O)NC[C@H]1CCCC[N@@H+]1CC(C)C ZINC000472085741 502225598 /nfs/dbraw/zinc/22/55/98/502225598.db2.gz TZMKTYIWNXQFSI-LJQANCHMSA-N 2 0 352.567 3.014 20 0 FGADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1ccc(Br)cc1Cl ZINC000472135951 502243837 /nfs/dbraw/zinc/24/38/37/502243837.db2.gz FVBDUOFIUWSGGE-ZDUSSCGKSA-N 2 0 374.754 3.218 20 0 FGADRP CCCN(CC[NH+](CC)CC)C(=O)N[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000461936884 502244504 /nfs/dbraw/zinc/24/45/04/502244504.db2.gz ONFLWYKSLUVRIX-RTBURBONSA-N 2 0 366.594 3.403 20 0 FGADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)NC[C@H](c2ccccc2)[NH+](CC)CC)C1 ZINC000465434094 502260183 /nfs/dbraw/zinc/26/01/83/502260183.db2.gz PHJKTMIBUCFDOV-PZJWPPBQSA-N 2 0 374.573 3.443 20 0 FGADRP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+]2C[C@H](C)C[C@H](C)[C@H]2C)CC1 ZINC000475731241 502267438 /nfs/dbraw/zinc/26/74/38/502267438.db2.gz DAXFCJYHWYKNQF-YZGWKJHDSA-N 2 0 371.569 3.442 20 0 FGADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000462018076 502275713 /nfs/dbraw/zinc/27/57/13/502275713.db2.gz YOBWZIDVVLTGHJ-WOJBJXKFSA-N 2 0 357.542 3.026 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@H](c1ccccc1)C1CC1 ZINC000465491155 502277347 /nfs/dbraw/zinc/27/73/47/502277347.db2.gz OMMWYERZOBPELU-LEWJYISDSA-N 2 0 372.557 3.195 20 0 FGADRP C[C@H]([NH2+]CCCC[NH+]1CCN(CCO)CC1)c1ccc(Cl)c(Cl)c1 ZINC000483141548 502288420 /nfs/dbraw/zinc/28/84/20/502288420.db2.gz JXYCLQXFINJPLT-HNNXBMFYSA-N 2 0 374.356 3.034 20 0 FGADRP c1ccc(CN2CCC[C@H]2C[NH2+]C2CCN(Cc3ccccn3)CC2)cc1 ZINC000483162950 502297702 /nfs/dbraw/zinc/29/77/02/502297702.db2.gz YLBTVSALKXNJOH-QHCPKHFHSA-N 2 0 364.537 3.300 20 0 FGADRP CCOc1ccc(C[NH2+]Cc2ccc(N3CC[NH+](CC)CC3)nc2)cc1F ZINC000486948961 502312925 /nfs/dbraw/zinc/31/29/25/502312925.db2.gz YUOHCWZLOKJRMB-UHFFFAOYSA-N 2 0 372.488 3.051 20 0 FGADRP C[C@@H]1C[NH+](Cc2ccc(C[NH2+]C/C=C\c3ccncc3)cc2)C[C@@H](C)O1 ZINC000486965326 502317887 /nfs/dbraw/zinc/31/78/87/502317887.db2.gz IRMHQDJUEOSULE-IFEVLTCRSA-N 2 0 351.494 3.494 20 0 FGADRP CC[C@@H](CNC(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@@H+]1CC)c1ccccc1 ZINC000465630680 502331855 /nfs/dbraw/zinc/33/18/55/502331855.db2.gz LZKVMKSXTLZTLD-FPOVZHCZSA-N 2 0 374.573 3.238 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CNC(=O)NC[C@@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC000465709733 502355753 /nfs/dbraw/zinc/35/57/53/502355753.db2.gz DZBRIPPWCAILED-SFTDATJTSA-N 2 0 372.557 3.243 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC000465709729 502355786 /nfs/dbraw/zinc/35/57/86/502355786.db2.gz DZBRIPPWCAILED-NHCUHLMSSA-N 2 0 372.557 3.243 20 0 FGADRP CC[NH+]1CCC(CCNC(=O)NCC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000465752937 502371312 /nfs/dbraw/zinc/37/13/12/502371312.db2.gz KDXDEOQELXDXDG-QZTJIDSGSA-N 2 0 366.594 3.164 20 0 FGADRP CC[NH+](CC)C[C@H](C)NC(=O)N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000465773198 502379611 /nfs/dbraw/zinc/37/96/11/502379611.db2.gz YTSKRIUWWONLNO-RBUKOAKNSA-N 2 0 360.546 3.023 20 0 FGADRP CCCCNC(=O)CC[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000483467862 502400259 /nfs/dbraw/zinc/40/02/59/502400259.db2.gz LPDNBCSUMMXNJL-SFTDATJTSA-N 2 0 357.542 3.279 20 0 FGADRP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N[C@@H]1CC[NH+]2CCCC[C@H]12 ZINC000469438431 502418913 /nfs/dbraw/zinc/41/89/13/502418913.db2.gz KLLJGCKAQUXSHU-QHAWAJNXSA-N 2 0 372.557 3.069 20 0 FGADRP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)NC[C@@H]1CCC[NH+]1Cc1ccccc1 ZINC000465939354 502433912 /nfs/dbraw/zinc/43/39/12/502433912.db2.gz SHPGQCKBSMGORV-SFTDATJTSA-N 2 0 372.557 3.167 20 0 FGADRP CC[N@H+](C)[C@@H](C(=O)NCc1ccc(CC[NH+](C)C)cc1)c1ccccc1 ZINC000469483031 502434667 /nfs/dbraw/zinc/43/46/67/502434667.db2.gz AFYVNHXTDWDUPF-OAQYLSRUSA-N 2 0 353.510 3.100 20 0 FGADRP C[C@H]([NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1)c1cccc(NS(C)(=O)=O)c1 ZINC000480035984 502453821 /nfs/dbraw/zinc/45/38/21/502453821.db2.gz GOWCITUJBRCHHU-ZDUSSCGKSA-N 2 0 353.532 3.018 20 0 FGADRP CCC(CC)[C@H](CNC(=O)N(C)[C@H]1CC[N@H+](CC)[C@@H](C)C1)[NH+]1CCCC1 ZINC000483709976 502470720 /nfs/dbraw/zinc/47/07/20/502470720.db2.gz LCYWLBJSHIRRTJ-IHPCNDPISA-N 2 0 366.594 3.401 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCc1ccc(C2CC2)cc1 ZINC000480111314 502475563 /nfs/dbraw/zinc/47/55/63/502475563.db2.gz RYFRFSCMXZWMAE-NRFANRHFSA-N 2 0 372.557 3.122 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCc1ccc(C2CC2)cc1 ZINC000480111315 502475626 /nfs/dbraw/zinc/47/56/26/502475626.db2.gz RYFRFSCMXZWMAE-OAQYLSRUSA-N 2 0 372.557 3.122 20 0 FGADRP C[C@H](CCNC(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1)[NH+](C)Cc1ccccc1 ZINC000473002324 502495970 /nfs/dbraw/zinc/49/59/70/502495970.db2.gz ROOUUNJFOYUDMC-UYAOXDASSA-N 2 0 372.557 3.213 20 0 FGADRP C[C@@H](CCNC(=O)N(C)CC[C@H]1CCCC[N@@H+]1C)[NH+](C)Cc1ccccc1 ZINC000473007255 502496921 /nfs/dbraw/zinc/49/69/21/502496921.db2.gz GIUQVJKCZCRUPG-PZJWPPBQSA-N 2 0 374.573 3.413 20 0 FGADRP CC(C)[N@@H+]1CCCN(C(=O)NCC[C@H](C)[NH+](C)Cc2ccccc2)CC1 ZINC000473009787 502498373 /nfs/dbraw/zinc/49/83/73/502498373.db2.gz IKRNELYJLNTCPJ-IBGZPJMESA-N 2 0 360.546 3.023 20 0 FGADRP CCC[NH+]1CCC(NC(=O)N[C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000483888047 502514455 /nfs/dbraw/zinc/51/44/55/502514455.db2.gz SWXHMWLEMBIISR-QUCCMNQESA-N 2 0 372.557 3.071 20 0 FGADRP C[C@@H]1CN(C(C)(C)C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)C[C@H](C)O1 ZINC000480261364 502516034 /nfs/dbraw/zinc/51/60/34/502516034.db2.gz IYLWSXDNWFITBK-ITTUMRLJSA-N 2 0 373.585 3.374 20 0 FGADRP CC[NH+](CC)CC1CCN(C(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)CC1 ZINC000466303858 502533557 /nfs/dbraw/zinc/53/35/57/502533557.db2.gz ZJQODFYTORHIQX-HXUWFJFHSA-N 2 0 364.578 3.014 20 0 FGADRP C[C@@H]1CCCN1C(=O)CC[NH2+][C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000469763687 502536566 /nfs/dbraw/zinc/53/65/66/502536566.db2.gz LEGTXNFSFKQMCJ-MOXWOTFGSA-N 2 0 357.542 3.134 20 0 FGADRP C[C@H](NC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000487844284 502545309 /nfs/dbraw/zinc/54/53/09/502545309.db2.gz VDNCUOARVNTFKN-BJLQDIEVSA-N 2 0 374.573 3.173 20 0 FGADRP O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH+]1C1CCCC1 ZINC000473290380 502560446 /nfs/dbraw/zinc/56/04/46/502560446.db2.gz GQIGZFYWVLDYKK-FPOVZHCZSA-N 2 0 355.526 3.032 20 0 FGADRP Cc1cc(C(C)(C)C)ccc1OC[C@H](O)C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000480419351 502564010 /nfs/dbraw/zinc/56/40/10/502564010.db2.gz RSYKBMMTIZZEKS-NRSPTQNISA-N 2 0 374.569 3.448 20 0 FGADRP CCC[C@H]([NH2+]C(C)C)C(=O)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000473347544 502570119 /nfs/dbraw/zinc/57/01/19/502570119.db2.gz RQFGLUGJIROVHU-NRFANRHFSA-N 2 0 359.558 3.320 20 0 FGADRP CCc1oc2ccccc2c1C[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000469860170 502572259 /nfs/dbraw/zinc/57/22/59/502572259.db2.gz DPYQLVXQVFJJLZ-QFBILLFUSA-N 2 0 369.509 3.075 20 0 FGADRP CC[NH+](CC)Cc1ccccc1C[NH2+]Cc1cc(C(=O)OC)c(C)n1C ZINC000462791949 502576353 /nfs/dbraw/zinc/57/63/53/502576353.db2.gz UAONOVTURZMJTD-UHFFFAOYSA-N 2 0 357.498 3.252 20 0 FGADRP CC[NH+](CC)CCOc1ccc(-c2noc([C@@H]3C[N@H+](C)C[C@H]3C)n2)cc1 ZINC000462822925 502588197 /nfs/dbraw/zinc/58/81/97/502588197.db2.gz XXMPVCPMUJVMNR-CRAIPNDOSA-N 2 0 358.486 3.122 20 0 FGADRP CC[C@H](C)[NH2+][C@@H](CNC(=O)NCCC[NH+]1CCC(C)CC1)c1ccco1 ZINC000476907372 502617464 /nfs/dbraw/zinc/61/74/64/502617464.db2.gz PWDFJFPEQFJANE-ROUUACIJSA-N 2 0 364.534 3.130 20 0 FGADRP CC[N@H+](Cc1cc(C(=O)OC)c(C)n1C)Cc1ccc(C[NH+](C)C)cc1 ZINC000462900160 502618921 /nfs/dbraw/zinc/61/89/21/502618921.db2.gz JRCIMXSCOBFMIP-UHFFFAOYSA-N 2 0 357.498 3.204 20 0 FGADRP Brc1cc2c(cc1C[NH+]1CCC([C@@H]3CCC[NH2+]3)CC1)OCO2 ZINC000470023291 502634056 /nfs/dbraw/zinc/63/40/56/502634056.db2.gz YWRPKLIRHHONGT-HNNXBMFYSA-N 2 0 367.287 3.142 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)N1CC[N@@H+](C2CCC2)C[C@@H](C)C1)CC(C)C ZINC000488211530 502659382 /nfs/dbraw/zinc/65/93/82/502659382.db2.gz ANKJHTLUMFPYNI-UYAOXDASSA-N 2 0 366.594 3.259 20 0 FGADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC000484639081 502692321 /nfs/dbraw/zinc/69/23/21/502692321.db2.gz CPPHQOULIRDXIS-BJAXAZRTSA-N 2 0 370.541 3.089 20 0 FGADRP CC[NH+](CC)CC1CC[NH+]([C@@H](C)C(=O)NCc2ccccc2Cl)CC1 ZINC000488392759 502702829 /nfs/dbraw/zinc/70/28/29/502702829.db2.gz RJPFFQPVFKLFHW-INIZCTEOSA-N 2 0 365.949 3.399 20 0 FGADRP CC[NH+](CC)CC1CC[NH+]([C@@H](C)C(=O)NCc2ccc(Cl)cc2)CC1 ZINC000488394196 502702862 /nfs/dbraw/zinc/70/28/62/502702862.db2.gz UUTBGUZJNBFIIP-INIZCTEOSA-N 2 0 365.949 3.399 20 0 FGADRP C[C@H](C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000480971051 502716511 /nfs/dbraw/zinc/71/65/11/502716511.db2.gz ZVQABXMMNXYFCB-ZWKOTPCHSA-N 2 0 371.569 3.405 20 0 FGADRP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)NC[C@@]2(C)CCC[N@@H+]2Cc2ccccc2)C1 ZINC000488502415 502733884 /nfs/dbraw/zinc/73/38/84/502733884.db2.gz HWSMWTDUVXMJIT-TUNNFDKTSA-N 2 0 372.557 3.213 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)N(CC[NH+](C)C)C1CCCC1 ZINC000463260272 502739135 /nfs/dbraw/zinc/73/91/35/502739135.db2.gz BTINZIMOXXJOMC-NQIIRXRSSA-N 2 0 372.557 3.023 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)CN(C)Cc1ccccc1 ZINC000488536957 502744254 /nfs/dbraw/zinc/74/42/54/502744254.db2.gz XRWLMGDQLQMSBD-DENIHFKCSA-N 2 0 365.521 3.145 20 0 FGADRP C[C@H](CNC(=O)N1CCC[C@H]1C[NH+]1CCCCC1)[N@H+](C)Cc1ccccc1 ZINC000477342546 502748451 /nfs/dbraw/zinc/74/84/51/502748451.db2.gz RYGZVIVVBKVFBN-CTNGQTDRSA-N 2 0 372.557 3.167 20 0 FGADRP C[C@@H]1C[C@@H](CCNC(=O)c2ccc3c(c2)C[NH2+]C3)C[N@@H+]1Cc1ccccc1 ZINC000470361886 502749109 /nfs/dbraw/zinc/74/91/09/502749109.db2.gz LZRBGXVCMDITIA-IEBWSBKVSA-N 2 0 363.505 3.320 20 0 FGADRP C[NH+](C)CCc1ccc(CNC(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)cc1 ZINC000467051614 502771522 /nfs/dbraw/zinc/77/15/22/502771522.db2.gz QLDPOUUTFPYDRZ-JOCHJYFZSA-N 2 0 365.521 3.072 20 0 FGADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCC(=O)NCc2ccccc2Cl)C[C@@H]1C ZINC000484923971 502778294 /nfs/dbraw/zinc/77/82/94/502778294.db2.gz VPBLQMKWIQFDBH-DOTOQJQBSA-N 2 0 351.922 3.151 20 0 FGADRP COc1ccc2c(c1)C(C)(C)C[C@H]2[NH2+]CC1CC[NH+](CCN(C)C)CC1 ZINC000474019716 502781236 /nfs/dbraw/zinc/78/12/36/502781236.db2.gz CJYKOHITESPTJE-OAQYLSRUSA-N 2 0 359.558 3.281 20 0 FGADRP C[NH+]1CCN(Cc2ccc(C[NH2+][C@@H]3CCCC[C@H]3[C@H]3CCOC3)cc2)CC1 ZINC000474049478 502789567 /nfs/dbraw/zinc/78/95/67/502789567.db2.gz YXYPEWLMUIWVMJ-RJGXRXQPSA-N 2 0 371.569 3.119 20 0 FGADRP COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000474054712 502792461 /nfs/dbraw/zinc/79/24/61/502792461.db2.gz ODVRQDANEGTUSC-HBMCJLEFSA-N 2 0 358.526 3.385 20 0 FGADRP C[NH+](C)[C@H](CNC(=O)C[NH2+][C@@H]1CCCCC12CCCC2)c1ccccc1 ZINC000463444987 502807697 /nfs/dbraw/zinc/80/76/97/502807697.db2.gz OWHXBEWJMSQRGH-WOJBJXKFSA-N 2 0 357.542 3.498 20 0 FGADRP CC[NH+]1CCN(c2ccccc2C[NH2+]CC2(c3ccccn3)CCC2)CC1 ZINC000512977330 502824903 /nfs/dbraw/zinc/82/49/03/502824903.db2.gz KCMMYPWWKOTOPB-UHFFFAOYSA-N 2 0 364.537 3.435 20 0 FGADRP CC(C)Cc1ccc([C@H](CNC(=O)N2CC[C@@H](C[NH+](C)C)C2)[NH+](C)C)cc1 ZINC000513384223 502921259 /nfs/dbraw/zinc/92/12/59/502921259.db2.gz NNOGJNBWZDMICE-FPOVZHCZSA-N 2 0 374.573 3.081 20 0 FGADRP CCC[NH+]1CCC(N(C)C(=O)NC[C@@H]([NH2+][C@@H](C)CC)c2ccco2)CC1 ZINC000509583400 502941134 /nfs/dbraw/zinc/94/11/34/502941134.db2.gz JXJJPLSSYNILBQ-FUHWJXTLSA-N 2 0 364.534 3.225 20 0 FGADRP C(CN1CCOC2(CCCCC2)C1)C[N@@H+]1CCOC2(CCCCC2)C1 ZINC000489385806 502944074 /nfs/dbraw/zinc/94/40/74/502944074.db2.gz DBWAGLQKYKWNIJ-UHFFFAOYSA-N 2 0 350.547 3.447 20 0 FGADRP C[C@H](O)C[NH+]1CCC(C[N@H+](C)Cc2ccc3c(c2)CCC(C)(C)O3)CC1 ZINC000513525103 502959198 /nfs/dbraw/zinc/95/91/98/502959198.db2.gz NAYFSDUUEINULG-KRWDZBQOSA-N 2 0 360.542 3.315 20 0 FGADRP C[C@H]([NH2+]C(C)(C)CNC(=O)N1C[C@@H]([NH+]2CCCC2)C[C@H]1C)c1ccccc1 ZINC000497448212 502962339 /nfs/dbraw/zinc/96/23/39/502962339.db2.gz PKOWWQPQCNWWMA-HBFSDRIKSA-N 2 0 372.557 3.384 20 0 FGADRP CC(C)[C@H](C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1)[NH+]1CCCCC1 ZINC000513571726 502968783 /nfs/dbraw/zinc/96/87/83/502968783.db2.gz GPZYYZKFYJMSLF-NHCUHLMSSA-N 2 0 357.542 3.278 20 0 FGADRP C[C@H]([NH2+]C(C)(C)CNC(=O)NCC[N@@H+]1CCCC[C@@H]1C)c1ccccc1 ZINC000489535969 502980758 /nfs/dbraw/zinc/98/07/58/502980758.db2.gz IHUJCSAPCDCFLV-ROUUACIJSA-N 2 0 360.546 3.289 20 0 FGADRP CC[C@@H](CNC(=O)N[C@@H](CC(C)C)C[NH+](C)C)[N@@H+]1CCc2ccccc2C1 ZINC000501361279 502992028 /nfs/dbraw/zinc/99/20/28/502992028.db2.gz OQUFXQCZLJXABV-SFTDATJTSA-N 2 0 374.573 3.099 20 0 FGADRP C[NH+](C)[C@@H](CNC(=O)NCCC[NH2+]C1CCCCC1)C1CCCCC1 ZINC000501410237 503003944 /nfs/dbraw/zinc/00/39/44/503003944.db2.gz YMVKZLQPMMITCB-IBGZPJMESA-N 2 0 352.567 3.109 20 0 FGADRP CC[NH+](CC)CCSCC(=O)Nc1ccccc1Nc1cc[nH+]cc1 ZINC000588817939 506346564 /nfs/dbraw/zinc/34/65/64/506346564.db2.gz DRFVFNBIQLKPSW-UHFFFAOYSA-N 2 0 358.511 3.261 20 0 FGADRP C[C@H](CNC(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+]1CCCC[C@@H]1C ZINC000501520474 503027403 /nfs/dbraw/zinc/02/74/03/503027403.db2.gz FDIQVKXFAFQRPM-RBUKOAKNSA-N 2 0 372.557 3.213 20 0 FGADRP CCc1ccc(NC(=O)C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)cc1 ZINC000506013403 503028997 /nfs/dbraw/zinc/02/89/97/503028997.db2.gz RVLKRCHDWWKSCZ-UHFFFAOYSA-N 2 0 373.541 3.012 20 0 FGADRP COc1ccc([C@@H](CNC(=O)[C@@H](C)[NH+]2CCCCCC2)[NH+]2CCCC2)cc1 ZINC000510183206 503066335 /nfs/dbraw/zinc/06/63/35/503066335.db2.gz FQJRCFCRAOQEJX-WIYYLYMNSA-N 2 0 373.541 3.213 20 0 FGADRP [NH3+]CC[C@H]1CCCCN1Cc1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC000489943518 503071869 /nfs/dbraw/zinc/07/18/69/503071869.db2.gz SZKSOVITBXXARG-CQSZACIVSA-N 2 0 354.376 3.459 20 0 FGADRP CC[C@@H](CNC(=O)[C@H](C)[NH+]1CCCCCC1)[N@@H+]1CCc2ccccc2C1 ZINC000510306293 503088917 /nfs/dbraw/zinc/08/89/17/503088917.db2.gz JHNXJHIXGSGQGG-RXVVDRJESA-N 2 0 357.542 3.204 20 0 FGADRP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NCCCC[NH+]1CCCC[C@@H]1C ZINC000514126814 503094361 /nfs/dbraw/zinc/09/43/61/503094361.db2.gz MIZNKWGOCKNJFL-YRPNKDGESA-N 2 0 366.594 3.307 20 0 FGADRP Cc1ccc([C@@H]2C[C@@H](C)[N@H+](CC(=O)NC3CC[NH+](C(C)C)CC3)C2)cc1 ZINC000490088764 503107264 /nfs/dbraw/zinc/10/72/64/503107264.db2.gz JEJDGHZCWDKZBB-UYAOXDASSA-N 2 0 357.542 3.162 20 0 FGADRP CCC[NH+]1CCC(CNC(=O)N[C@H](C)[C@H](c2ccccc2C)[NH+](C)C)CC1 ZINC000490185706 503125988 /nfs/dbraw/zinc/12/59/88/503125988.db2.gz ZNHNQEBRUOZIEZ-WIYYLYMNSA-N 2 0 374.573 3.407 20 0 FGADRP CC[NH+](CC)Cc1cccc(CNC(=O)N2C[C@H](C)[N@H+](CC)C[C@H]2C)c1 ZINC000498249940 503142066 /nfs/dbraw/zinc/14/20/66/503142066.db2.gz GOPNMQMSSVYKQN-ZWKOTPCHSA-N 2 0 360.546 3.153 20 0 FGADRP C[NH2+][C@H](CC(C)(C)C)C(=O)Nc1ccccc1CN1C[C@@H](C)O[C@H](C)C1 ZINC000514604063 503146802 /nfs/dbraw/zinc/14/68/02/503146802.db2.gz AGFIOHHZDSPKOT-GPMSIDNRSA-N 2 0 361.530 3.259 20 0 FGADRP CC(C)[C@@H]1CCC[C@H](NC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)C1 ZINC000510580099 503148417 /nfs/dbraw/zinc/14/84/17/503148417.db2.gz QVCVVUWBUYSWAN-MOPGFXCFSA-N 2 0 354.583 3.116 20 0 FGADRP CC[NH+](CC)CCCCNC(=O)c1ccc(C[NH+]2CCSCC2)cc1 ZINC000498353905 503165378 /nfs/dbraw/zinc/16/53/78/503165378.db2.gz LYZMPKFPEMVEFY-UHFFFAOYSA-N 2 0 363.571 3.087 20 0 FGADRP C[NH+]1CCN(c2ccc(N[C@@H]3CCC[C@@H](c4cccnc4)C3)nc2)CC1 ZINC000502247882 503169180 /nfs/dbraw/zinc/16/91/80/503169180.db2.gz JYZKXITZDPADCI-IEBWSBKVSA-N 2 0 351.498 3.367 20 0 FGADRP Cc1cc(C)n(-c2ccc(C[NH+]3CCC([C@@H]4C[C@H]([NH3+])CCO4)CC3)cc2)n1 ZINC000514733759 503179845 /nfs/dbraw/zinc/17/98/45/503179845.db2.gz ODJSBBNXNXVSFH-IRLDBZIGSA-N 2 0 368.525 3.207 20 0 FGADRP C[C@@H](CCc1c(F)cccc1F)[NH2+]C1CCN(C2CC[NH+](C)CC2)CC1 ZINC000510739226 503183144 /nfs/dbraw/zinc/18/31/44/503183144.db2.gz XKKVQKYTYXJYLW-INIZCTEOSA-N 2 0 365.512 3.434 20 0 FGADRP C[C@H](NC(=O)[C@H](C)[NH+]1CCC(Cc2ccccc2)CC1)C1=CC[N@H+](C)CC1 ZINC000510741726 503183283 /nfs/dbraw/zinc/18/32/83/503183283.db2.gz PCALGJSEZURHBV-OALUTQOASA-N 2 0 369.553 3.096 20 0 FGADRP C[C@@H](C(=O)NCC1([NH+]2CCSCC2)CCCCC1)[NH+]1CCCCCC1 ZINC000510746891 503184481 /nfs/dbraw/zinc/18/44/81/503184481.db2.gz KUOHAVSQYMWPBO-SFHVURJKSA-N 2 0 367.603 3.119 20 0 FGADRP Cn1nccc1[C@@H]1CCCC[N@@H+]1CCCN1CCN(c2ccccc2)CC1 ZINC000510784562 503192050 /nfs/dbraw/zinc/19/20/50/503192050.db2.gz WEGCVZJFMTXART-QFIPXVFZSA-N 2 0 367.541 3.159 20 0 FGADRP C[C@H]([NH3+])C1CCN(C(=O)NC[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000514824271 503202012 /nfs/dbraw/zinc/20/20/12/503202012.db2.gz AFXUHLFFTWKTCE-ICSRJNTNSA-N 2 0 372.557 3.058 20 0 FGADRP C[C@H](NC(=O)[C@H](C)[NH+]1CCCCCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000490812345 503231023 /nfs/dbraw/zinc/23/10/23/503231023.db2.gz KLGOPGBVWCXYEW-IRFCIJBXSA-N 2 0 357.542 3.278 20 0 FGADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000502586148 503233154 /nfs/dbraw/zinc/23/31/54/503233154.db2.gz SPXLKGUVHFSZFX-JKSUJKDBSA-N 2 0 365.484 3.087 20 0 FGADRP C[C@H](NC(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000514948889 503233395 /nfs/dbraw/zinc/23/33/95/503233395.db2.gz BSGWOHWRPBKLJS-TYPHKJRUSA-N 2 0 369.553 3.278 20 0 FGADRP CC[NH+]1CCN(Cc2ccccc2C[NH2+][C@@H]2CCC[C@@H]2CCOC)CC1 ZINC000502706707 503255485 /nfs/dbraw/zinc/25/54/85/503255485.db2.gz IJTZBBUPOXBXFU-DENIHFKCSA-N 2 0 359.558 3.119 20 0 FGADRP Cc1ccc(-c2nc(CN3CC[C@@H]([NH+]4CCN(C)CC4)[C@H](C)C3)co2)cc1 ZINC000490996792 503258053 /nfs/dbraw/zinc/25/80/53/503258053.db2.gz RIEOUDWFDLTAHL-WIYYLYMNSA-N 2 0 368.525 3.108 20 0 FGADRP C[N@H+](Cc1ccco1)Cc1ccccc1C[NH2+]C[C@@H](O)CC(F)(F)F ZINC000515054240 503260826 /nfs/dbraw/zinc/26/08/26/503260826.db2.gz CZIJHNSUZHWYSI-INIZCTEOSA-N 2 0 356.388 3.315 20 0 FGADRP C[C@@H](CC[NH+](C)C)NC(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCCC1 ZINC000502796845 503274392 /nfs/dbraw/zinc/27/43/92/503274392.db2.gz BDEFDEBPODPUDM-ROUUACIJSA-N 2 0 360.546 3.289 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000502848126 503288194 /nfs/dbraw/zinc/28/81/94/503288194.db2.gz VDAPSIIYXXXAQB-LJQANCHMSA-N 2 0 364.578 3.158 20 0 FGADRP COc1ccccc1-c1ncc(C[NH2+]CC2CC[NH+](C3CC3)CC2)cn1 ZINC000491359230 503300771 /nfs/dbraw/zinc/30/07/71/503300771.db2.gz JYSUIDNUNGZZIW-UHFFFAOYSA-N 2 0 352.482 3.116 20 0 FGADRP CCCN(CC[NH+]1CCCC1)C(=O)N[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000499186085 503351417 /nfs/dbraw/zinc/35/14/17/503351417.db2.gz AEQXIPWEXTXHPS-TZIWHRDSSA-N 2 0 372.557 3.167 20 0 FGADRP C[C@@H]([NH2+]C1(CNC(=O)NCCC[NH+]2CCCC2)CCCC1)c1ccccc1 ZINC000503140967 503354057 /nfs/dbraw/zinc/35/40/57/503354057.db2.gz UHCNKIUISHIKCI-LJQANCHMSA-N 2 0 372.557 3.435 20 0 FGADRP O=C(NC[C@@H](c1ccco1)N1CCCC1)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000511651708 503362919 /nfs/dbraw/zinc/36/29/19/503362919.db2.gz ZQNWPXAOGTWWTP-PMACEKPBSA-N 2 0 367.493 3.197 20 0 FGADRP COc1ccc(F)c(C[NH+]2CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)c1 ZINC000507833521 503376322 /nfs/dbraw/zinc/37/63/22/503376322.db2.gz MXFCKRMORANDCM-HZPDHXFCSA-N 2 0 350.478 3.156 20 0 FGADRP C[N@H+](CCCOc1ccc(C(C)(C)C)cc1)CCCN1CC[NH+](C)CC1 ZINC000492911634 503393179 /nfs/dbraw/zinc/39/31/79/503393179.db2.gz LWIZNKDQFQOAKZ-UHFFFAOYSA-N 2 0 361.574 3.322 20 0 FGADRP O=[S@](CC[N@@H+]1CCC[C@H](c2ncc3n2CCCC3)C1)c1ccccc1 ZINC000503373570 503397114 /nfs/dbraw/zinc/39/71/14/503397114.db2.gz ILHNYFSOPLDGKN-SSOJOUAXSA-N 2 0 357.523 3.207 20 0 FGADRP CCC[N@H+](CC)C[C@@H](C)NC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000515932418 503422810 /nfs/dbraw/zinc/42/28/10/503422810.db2.gz MODYLSHIQAJBOT-GOSISDBHSA-N 2 0 360.546 3.202 20 0 FGADRP Cc1cc([C@@H](C)[NH2+][C@H](C)CCN2CC[NH+](C)CC2)sc1Br ZINC000511976618 503427136 /nfs/dbraw/zinc/42/71/36/503427136.db2.gz BSNUJEVZKXXDRJ-ZIAGYGMSSA-N 2 0 374.392 3.496 20 0 FGADRP CC[C@H](C)[NH2+][C@H](CNC(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1)c1ccco1 ZINC000493814731 503448172 /nfs/dbraw/zinc/44/81/72/503448172.db2.gz WKLWKRNHBPNDKU-RCCFBDPRSA-N 2 0 364.534 3.128 20 0 FGADRP C[C@@H]([NH2+]C1(CNC(=O)N2CC[N@H+](C)CC[C@@H]2C)CCCC1)c1ccccc1 ZINC000503741729 503467503 /nfs/dbraw/zinc/46/75/03/503467503.db2.gz XURVCIDJSWBMDK-RBUKOAKNSA-N 2 0 372.557 3.386 20 0 FGADRP C[NH+]1CCC(C)(C[NH2+]Cc2cn(-c3cccc(Cl)c3Cl)nn2)CC1 ZINC000503931329 503492178 /nfs/dbraw/zinc/49/21/78/503492178.db2.gz RBDSDPAYYLGDIJ-UHFFFAOYSA-N 2 0 368.312 3.396 20 0 FGADRP CC[NH+](CC)CCOc1ccccc1NC(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000503993566 503507093 /nfs/dbraw/zinc/50/70/93/503507093.db2.gz PKFBWOKBGCKWDM-HKUYNNGSSA-N 2 0 374.529 3.156 20 0 FGADRP O=C(CC[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1)NC1CCCC1 ZINC000512286009 503509633 /nfs/dbraw/zinc/50/96/33/503509633.db2.gz MYEPCZIYKOHFAH-JOCHJYFZSA-N 2 0 355.526 3.033 20 0 FGADRP C[C@@H](NC(=O)[C@H](C)[NH+]1CCC(CC[NH3+])CC1)c1ccc2ccccc2c1 ZINC000516479706 503517619 /nfs/dbraw/zinc/51/76/19/503517619.db2.gz ULWYRZROQNWVCE-SJORKVTESA-N 2 0 353.510 3.466 20 0 FGADRP C[C@H]([NH2+]CCn1c2ccccc2[nH]c1=O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508722314 503551361 /nfs/dbraw/zinc/55/13/61/503551361.db2.gz XFLSUEJANDTLHU-HKUYNNGSSA-N 2 0 364.493 3.242 20 0 FGADRP CCC[C@@H]1CN(C(=O)[C@H](C)Cc2c[nH]cn2)CC[N@@H+]1Cc1ccccc1 ZINC000516660813 503563105 /nfs/dbraw/zinc/56/31/05/503563105.db2.gz CLCALZWKSGZJJY-YLJYHZDGSA-N 2 0 354.498 3.101 20 0 FGADRP CC(C)[NH+](CCN(C)C(=O)NCC[N@H+](C)Cc1ccc(F)cc1)C(C)C ZINC000504403736 503569138 /nfs/dbraw/zinc/56/91/38/503569138.db2.gz PGJRRQYRQQPSEL-UHFFFAOYSA-N 2 0 366.525 3.018 20 0 FGADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@@H](C)[C@@H](c2ccccc2C)[NH+](C)C)C1 ZINC000508860229 503580886 /nfs/dbraw/zinc/58/08/86/503580886.db2.gz DGXRKUQQKOHUSR-ZJOUEHCJSA-N 2 0 374.573 3.360 20 0 FGADRP C[NH2+]CCC1CCN(Cc2cn(-c3ccc(Cl)cc3Cl)nn2)CC1 ZINC000516770848 503583631 /nfs/dbraw/zinc/58/36/31/503583631.db2.gz UMMGTKIBMACIGU-UHFFFAOYSA-N 2 0 368.312 3.396 20 0 FGADRP CCOC(=O)c1c(C)c2ccccc2nc1CN1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000516770951 503583854 /nfs/dbraw/zinc/58/38/54/503583854.db2.gz UTRHQGMGQGEYRZ-RYQLBKOJSA-N 2 0 367.493 3.279 20 0 FGADRP CCCN(CC[NH+]1CCCC1)C(=O)N[C@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC000508902171 503595639 /nfs/dbraw/zinc/59/56/39/503595639.db2.gz ZXXMTYNCYVUFRP-UYAOXDASSA-N 2 0 360.546 3.195 20 0 FGADRP Fc1cccnc1OCC[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000512667855 503608238 /nfs/dbraw/zinc/60/82/38/503608238.db2.gz RJCMBVPKVKZKLG-IRFCIJBXSA-N 2 0 369.484 3.490 20 0 FGADRP C[C@@H]1CCC[C@H]([NH2+]Cc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)[C@@H]1C ZINC000512673586 503608946 /nfs/dbraw/zinc/60/89/46/503608946.db2.gz RHLUEXBYSPLZFO-JYWFKMLOSA-N 2 0 357.542 3.298 20 0 FGADRP C[C@H]([NH2+]CC1CC[NH2+]CC1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000516964550 503632664 /nfs/dbraw/zinc/63/26/64/503632664.db2.gz PVWOVASIRRICLW-HNNXBMFYSA-N 2 0 350.528 3.053 20 0 FGADRP C[NH+](C)Cc1cccc(C(=O)N[C@]2(C)CC[N@H+](Cc3ccccc3)C2)c1 ZINC000516977333 503636206 /nfs/dbraw/zinc/63/62/06/503636206.db2.gz SUTPVYHROFELAN-JOCHJYFZSA-N 2 0 351.494 3.143 20 0 FGADRP [NH3+][C@@H]1CCC[C@@H](NCc2ccc(Cl)cc2I)C1 ZINC000516981019 503637491 /nfs/dbraw/zinc/63/74/91/503637491.db2.gz HDYLRXVKUCVNPT-VXGBXAGGSA-N 2 0 364.658 3.304 20 0 FGADRP COCCC[NH+]1CCC([NH2+][C@H](C[C@H]2CCOC2)c2ccc(F)cc2)CC1 ZINC000495056426 503654711 /nfs/dbraw/zinc/65/47/11/503654711.db2.gz CTROWQGOTXODQY-DYESRHJHSA-N 2 0 364.505 3.384 20 0 FGADRP Cc1ccccc1[C@H]([NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1)C1CCCC1 ZINC000495078939 503661432 /nfs/dbraw/zinc/66/14/32/503661432.db2.gz LNCFSKOLRLFWFX-PZJWPPBQSA-N 2 0 357.542 3.403 20 0 FGADRP COc1cc(CN2CC[C@H]3CC[N@H+](C)C[C@@H]32)ccc1OCC(F)(F)F ZINC000495147147 503681132 /nfs/dbraw/zinc/68/11/32/503681132.db2.gz IEKOPEMAQBRVJR-CABCVRRESA-N 2 0 358.404 3.162 20 0 FGADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](CO)Cc2ccccc2C(F)(F)F)[C@@H](C)C1 ZINC000540158773 503692495 /nfs/dbraw/zinc/69/24/95/503692495.db2.gz YESUSBVIYBIQKW-DAYGRLMNSA-N 2 0 358.448 3.176 20 0 FGADRP C[C@@H]1C[C@@H]([NH2+]Cc2ccnc(-n3cccn3)c2)CCN1Cc1ccccc1 ZINC000517255812 503694400 /nfs/dbraw/zinc/69/44/00/503694400.db2.gz XQRITVHZCBNRHW-NQIIRXRSSA-N 2 0 361.493 3.410 20 0 FGADRP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]C[C@@H]2CCC(C)(C)O2)CC1 ZINC000495189828 503695463 /nfs/dbraw/zinc/69/54/63/503695463.db2.gz IUPZIOXXBGHHTD-HNNXBMFYSA-N 2 0 351.922 3.139 20 0 FGADRP C[C@@H](CC[NH2+][C@@H](C)[C@H](c1ccccc1)N1CCOCC1)[NH+]1CCCCC1 ZINC000543417891 503762404 /nfs/dbraw/zinc/76/24/04/503762404.db2.gz HHFBIZGFYBHTNI-JAXLGGSGSA-N 2 0 359.558 3.303 20 0 FGADRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC[C@@H](c2ccsc2)[NH+](C)C)C1 ZINC000517589956 503779471 /nfs/dbraw/zinc/77/94/71/503779471.db2.gz XESIMMARDGEAOW-WBVHZDCISA-N 2 0 366.575 3.161 20 0 FGADRP C[C@H]1C[NH+](CCOc2ccc(CC[NH2+]Cc3ccc(CO)o3)cc2)C[C@@H]1C ZINC000537024416 503779669 /nfs/dbraw/zinc/77/96/69/503779669.db2.gz KPXUGSMNHTVXSH-ROUUACIJSA-N 2 0 372.509 3.071 20 0 FGADRP CCC[C@@H]([NH2+]Cc1ccc(N2CC[NH+](CC)CC2)nc1)c1cccnc1 ZINC000543603467 503825854 /nfs/dbraw/zinc/82/58/54/503825854.db2.gz VIFCDWQJTDIMSM-HXUWFJFHSA-N 2 0 353.514 3.250 20 0 FGADRP CCO[C@H]1C[C@H]([NH2+]Cc2ccc(N3CC[NH+](CC)CC3)nc2)C12CCCC2 ZINC000540596109 503828213 /nfs/dbraw/zinc/82/82/13/503828213.db2.gz KRGYGIQSWNMSQR-PMACEKPBSA-N 2 0 372.557 3.051 20 0 FGADRP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000543674751 503848083 /nfs/dbraw/zinc/84/80/83/503848083.db2.gz KUJWKCBKWUXSLG-GHTZIAJQSA-N 2 0 372.557 3.023 20 0 FGADRP CC(C)[N@H+](C)Cc1cccc(CNC(=O)CCN(C)c2cc[nH+]cc2)c1 ZINC000543712344 503863183 /nfs/dbraw/zinc/86/31/83/503863183.db2.gz NGWQUUTXTXWDTJ-UHFFFAOYSA-N 2 0 354.498 3.065 20 0 FGADRP C[NH+](C)[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)c1ccc(Cl)cc1 ZINC000533510639 503869863 /nfs/dbraw/zinc/86/98/63/503869863.db2.gz NKCZTQPJWUQSCN-MOPGFXCFSA-N 2 0 363.933 3.466 20 0 FGADRP COc1cc(OC)c(C2CC[NH+]([C@H](C)[C@H]3CCC[NH2+]C3)CC2)c(OC)c1 ZINC000530207856 503877119 /nfs/dbraw/zinc/87/71/19/503877119.db2.gz DTRHPNWMOFLJBH-WBVHZDCISA-N 2 0 362.514 3.280 20 0 FGADRP O=C(C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1)Nc1ccc(Cl)c(F)c1 ZINC000530222038 503882501 /nfs/dbraw/zinc/88/25/01/503882501.db2.gz QRNSRQQLPVVEML-ZIAGYGMSSA-N 2 0 353.869 3.129 20 0 FGADRP C[C@@H]1C[C@@H]([NH2+]Cc2c[nH]nc2-c2ccc(Br)s2)CC[N@@H+]1C ZINC000527669870 503886912 /nfs/dbraw/zinc/88/69/12/503886912.db2.gz ZRLIEYBRHCYYDT-PWSUYJOCSA-N 2 0 369.332 3.473 20 0 FGADRP c1ccc2cc(OCC[NH+]3CCC(CO[C@@H]4CC[NH2+]C4)CC3)ccc2c1 ZINC000530240968 503889513 /nfs/dbraw/zinc/88/95/13/503889513.db2.gz OKSZHFAZOGPDJE-JOCHJYFZSA-N 2 0 354.494 3.309 20 0 FGADRP Clc1cc(Cl)cc(OCC[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)c1 ZINC000530241794 503890335 /nfs/dbraw/zinc/89/03/35/503890335.db2.gz RKHWNMUOJMBTSL-QGZVFWFLSA-N 2 0 373.324 3.463 20 0 FGADRP Brc1cccc(C[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)c1 ZINC000530242417 503891304 /nfs/dbraw/zinc/89/13/04/503891304.db2.gz URIQSDORICXAMP-KRWDZBQOSA-N 2 0 353.304 3.040 20 0 FGADRP COc1cc(C[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)ccc1OC(C)C ZINC000530248552 503893722 /nfs/dbraw/zinc/89/37/22/503893722.db2.gz MFORHYHEHBGPTF-LJQANCHMSA-N 2 0 362.514 3.073 20 0 FGADRP COc1cccc(C[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)c1OC(C)C ZINC000530248829 503894030 /nfs/dbraw/zinc/89/40/30/503894030.db2.gz QADWRGKINKMVQQ-LJQANCHMSA-N 2 0 362.514 3.073 20 0 FGADRP C[NH+](C)C1(CNC(=O)NC(C)(C)C[N@H+](C)Cc2ccccc2)CCCC1 ZINC000533620867 503903752 /nfs/dbraw/zinc/90/37/52/503903752.db2.gz NBHVBSGZJXPCFJ-UHFFFAOYSA-N 2 0 360.546 3.071 20 0 FGADRP c1nn(-c2ccccc2)cc1C[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000518164205 503918922 /nfs/dbraw/zinc/91/89/22/503918922.db2.gz ACWHFCJSGMDQAF-RBBKRZOGSA-N 2 0 360.461 3.218 20 0 FGADRP C[N@@H+]1CC[C@@H](CNC(=O)C2(C[NH3+])CCCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000518167937 503918982 /nfs/dbraw/zinc/91/89/82/503918982.db2.gz RIFWSSNVPVVFJH-YOEHRIQHSA-N 2 0 367.896 3.107 20 0 FGADRP CC1(C)CCC[C@@H](CC(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000533714601 503932454 /nfs/dbraw/zinc/93/24/54/503932454.db2.gz MWLLHEYVUIOTGY-IBGZPJMESA-N 2 0 372.557 3.316 20 0 FGADRP C[N@@H+]1CCCC12CCN(C(=O)[C@H]1CCCC[NH+]1Cc1ccccc1)CC2 ZINC000546974810 503943815 /nfs/dbraw/zinc/94/38/15/503943815.db2.gz GRPUQBJSVCQERN-HXUWFJFHSA-N 2 0 355.526 3.128 20 0 FGADRP CC(C)[N@H+](C)CC1CCN(C(=O)NC[C@@]2([NH+](C)C)CCC[C@@H](C)C2)CC1 ZINC000518360772 503962430 /nfs/dbraw/zinc/96/24/30/503962430.db2.gz FWKIAMCHOTUKFC-WIYYLYMNSA-N 2 0 366.594 3.259 20 0 FGADRP C[C@@H]1CCC[C@](CNC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)([NH+](C)C)C1 ZINC000518366660 503964356 /nfs/dbraw/zinc/96/43/56/503964356.db2.gz FOHIWEXRLSJLFS-CBQOVEMMSA-N 2 0 372.557 3.071 20 0 FGADRP CC(C)[C@H](C[NH2+][C@H](C)c1cc(-c2ccccc2)n(C)n1)N1CC[NH+](C)CC1 ZINC000527854136 503974269 /nfs/dbraw/zinc/97/42/69/503974269.db2.gz WUPXWWIPMBVOAW-GCJKJVERSA-N 2 0 369.557 3.010 20 0 FGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H]2CCc3cc(F)c(Cl)cc32)CC1 ZINC000527859312 503975692 /nfs/dbraw/zinc/97/56/92/503975692.db2.gz PSKKNMKAPSDKKA-AUUYWEPGSA-N 2 0 353.913 3.330 20 0 FGADRP CC(C)[NH+](CCCNC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1)C(C)C ZINC000533913242 503987836 /nfs/dbraw/zinc/98/78/36/503987836.db2.gz OEDDBIOVDNVPBP-WOJBJXKFSA-N 2 0 360.546 3.240 20 0 FGADRP CC[NH+](CC)CCOC1CC[NH+](Cc2ccc(N3CCCC3)nc2)CC1 ZINC000537660444 503995941 /nfs/dbraw/zinc/99/59/41/503995941.db2.gz DPHNKTKFTADKJG-UHFFFAOYSA-N 2 0 360.546 3.005 20 0 FGADRP COCc1cccc(OCC2(C[N@@H+]3CC[C@@H](C[NH+]4CCCC4)C3)CC2)c1 ZINC000537680146 504002758 /nfs/dbraw/zinc/00/27/58/504002758.db2.gz HCIWZVXDANAVFW-FQEVSTJZSA-N 2 0 358.526 3.410 20 0 FGADRP CC[NH+](CC)CCCC1CCN(C(=O)NC[C@@H]2CC[N@@H+](C(C)C)C2)CC1 ZINC000541120881 504016275 /nfs/dbraw/zinc/01/62/75/504016275.db2.gz RQBQIBNSFHETNM-FQEVSTJZSA-N 2 0 366.594 3.260 20 0 FGADRP C[C@@H]([NH2+]Cc1ccc2cn(C)nc2c1)c1cccc(OCC[NH+](C)C)c1 ZINC000527968326 504020142 /nfs/dbraw/zinc/02/01/42/504020142.db2.gz ZLQKZIYTUSOMDC-MRXNPFEDSA-N 2 0 352.482 3.365 20 0 FGADRP O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)[C@H]1CCCN1Cc1ccc(Cl)cc1 ZINC000527986025 504027757 /nfs/dbraw/zinc/02/77/57/504027757.db2.gz OXHUAKDYIGNTKF-CEXWTWQISA-N 2 0 361.917 3.047 20 0 FGADRP C[C@@H]([NH2+]C[C@@H]1c2ccccc2C(=O)N1C)c1cccc(OCC[NH+](C)C)c1 ZINC000528009649 504037599 /nfs/dbraw/zinc/03/75/99/504037599.db2.gz ZCSSFDYPUBULJX-IIBYNOLFSA-N 2 0 367.493 3.105 20 0 FGADRP CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+]C[C@@H]2CCN2C2CCCC2)cc1 ZINC000528011611 504039346 /nfs/dbraw/zinc/03/93/46/504039346.db2.gz MLKPQDAAWNUXBZ-BEFAXECRSA-N 2 0 365.543 3.116 20 0 FGADRP COCCOc1ccc([C@H](C)[NH2+]C[C@H]2CCN2C2CCCC2)cc1OC ZINC000528015427 504040593 /nfs/dbraw/zinc/04/05/93/504040593.db2.gz XKJOPUAIBMJHRA-QFBILLFUSA-N 2 0 362.514 3.388 20 0 FGADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H](O)COc2ccc3ccccc3c2)C[C@@H]1C ZINC000530662917 504043731 /nfs/dbraw/zinc/04/37/31/504043731.db2.gz RAYZYMXYJMXKDJ-DZFGPLHGSA-N 2 0 356.510 3.384 20 0 FGADRP Clc1cnc(NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)c(Cl)c1 ZINC000518809248 504069142 /nfs/dbraw/zinc/06/91/42/504069142.db2.gz LBBWZTYUBZIJPH-UHFFFAOYSA-N 2 0 366.296 3.408 20 0 FGADRP CC[C@H](C(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1)[NH+](CC)CC ZINC000530820751 504096088 /nfs/dbraw/zinc/09/60/88/504096088.db2.gz RJOUEXAFPUVXSA-NUJGCVRESA-N 2 0 351.560 3.368 20 0 FGADRP Cc1ccc([C@H](CNC(=O)NCC[N@@H+](C)C2CCCC2)[NH+]2CCCC2)cc1 ZINC000519209683 504164642 /nfs/dbraw/zinc/16/46/42/504164642.db2.gz YDUOQHARCRKYSV-NRFANRHFSA-N 2 0 372.557 3.306 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cc2cscc2s1 ZINC000528335692 504175446 /nfs/dbraw/zinc/17/54/46/504175446.db2.gz OICQRFJUTRPCNA-HNNXBMFYSA-N 2 0 365.568 3.451 20 0 FGADRP COCCOCCCC[NH2+][C@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21 ZINC000538260762 504179993 /nfs/dbraw/zinc/17/99/93/504179993.db2.gz HULYLFDOKHIZGU-IBGZPJMESA-N 2 0 362.514 3.007 20 0 FGADRP CC(C)[N@H+](C)CC1CC[NH+]([C@@H](C)C(=O)N2CCc3sccc3C2)CC1 ZINC000531107754 504192667 /nfs/dbraw/zinc/19/26/67/504192667.db2.gz SXAADNOWFRPGHQ-INIZCTEOSA-N 2 0 363.571 3.074 20 0 FGADRP O=C(NCc1ccccc1C[NH+]1CCCC1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000519370824 504204431 /nfs/dbraw/zinc/20/44/31/504204431.db2.gz XEWZWJFROAQEFF-NRFANRHFSA-N 2 0 370.541 3.052 20 0 FGADRP CO[C@H](C[NH+]1CCC(OCC[NH+]2CCCC2)CC1)c1ccc(F)cc1 ZINC000528397213 504205584 /nfs/dbraw/zinc/20/55/84/504205584.db2.gz SKKWJBCVGAHAIL-HXUWFJFHSA-N 2 0 350.478 3.090 20 0 FGADRP C[C@@H](C(=O)Nc1cc(F)ccc1F)N1CC[C@H](n2cnc3c2CCCC3)C1 ZINC000519517775 504236811 /nfs/dbraw/zinc/23/68/11/504236811.db2.gz HYQMRXIOZLJJOW-ZFWWWQNUSA-N 2 0 374.435 3.314 20 0 FGADRP C[C@H]([NH2+][C@@H]1CCCC[C@H]1N1CCOCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000547827579 504238476 /nfs/dbraw/zinc/23/84/76/504238476.db2.gz OTVSKPOCKSSOJG-KZKAQZJJSA-N 2 0 371.569 3.130 20 0 FGADRP C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC000544734858 504238954 /nfs/dbraw/zinc/23/89/54/504238954.db2.gz HNBUXDPWYLZZND-QGZVFWFLSA-N 2 0 366.509 3.310 20 0 FGADRP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N(C)CCC[NH+]1CCCC1 ZINC000541769736 504248777 /nfs/dbraw/zinc/24/87/77/504248777.db2.gz MUENPRMLPHNDFB-NRFANRHFSA-N 2 0 374.573 3.270 20 0 FGADRP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)NCC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000541780929 504251906 /nfs/dbraw/zinc/25/19/06/504251906.db2.gz ISOCRTWTNOYNTK-KURKYZTESA-N 2 0 366.594 3.115 20 0 FGADRP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000541786730 504255051 /nfs/dbraw/zinc/25/50/51/504255051.db2.gz DYHVOFHQLSPFCO-GHTZIAJQSA-N 2 0 372.557 3.195 20 0 FGADRP OC1(C[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)Cc2ccccc2C1 ZINC000541882365 504289120 /nfs/dbraw/zinc/28/91/20/504289120.db2.gz FJDIKBQFZBVDGR-YTFSRNRJSA-N 2 0 362.517 3.017 20 0 FGADRP CC1(C(=O)N2CC3CCC2(C[NH3+])CC3)CC[NH+](Cc2ccccc2)CC1 ZINC000519703565 504309436 /nfs/dbraw/zinc/30/94/36/504309436.db2.gz JXFWVQMEJARVCA-UHFFFAOYSA-N 2 0 355.526 3.019 20 0 FGADRP CCC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N(C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000528652065 504313625 /nfs/dbraw/zinc/31/36/25/504313625.db2.gz RYZFEAMOIKQBSE-PSWRPDDJSA-N 2 0 371.569 3.476 20 0 FGADRP C[C@@H](C(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000519751865 504327730 /nfs/dbraw/zinc/32/77/30/504327730.db2.gz XMFSRLSNVFXGEE-OTWHNJEPSA-N 2 0 357.542 3.371 20 0 FGADRP COc1ccc(-c2ccccc2)cc1C[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000531535225 504337300 /nfs/dbraw/zinc/33/73/00/504337300.db2.gz WWFWXFMRAXLMJS-UHFFFAOYSA-N 2 0 367.537 3.478 20 0 FGADRP C[C@H]1O[C@@H](C)[C@@H]([NH2+]Cc2cccc(C[NH2+][C@H]3[C@@H](C)O[C@@H](C)[C@@H]3C)c2)[C@H]1C ZINC000528770046 504372439 /nfs/dbraw/zinc/37/24/39/504372439.db2.gz YUZQTTQTHCFWJU-OPCWMWMRSA-N 2 0 360.542 3.490 20 0 FGADRP COC(=O)c1cc2c(o1)c(OC)ccc2C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000538796613 504374012 /nfs/dbraw/zinc/37/40/12/504374012.db2.gz MSBOVRMYLIWPMF-DOTOQJQBSA-N 2 0 372.465 3.144 20 0 FGADRP C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+][C@@H]1CCn2ccnc2C1 ZINC000548307231 504393584 /nfs/dbraw/zinc/39/35/84/504393584.db2.gz OTXLEQQUTMVFJF-CHWSQXEVSA-N 2 0 366.387 3.224 20 0 FGADRP C[C@H]([NH2+][C@@H]1CN(C)Cc2ccccc21)c1cccc(OCC[NH+](C)C)c1 ZINC000539050357 504458093 /nfs/dbraw/zinc/45/80/93/504458093.db2.gz IKEQGOUJXVPCMV-HTAPYJJXSA-N 2 0 353.510 3.464 20 0 FGADRP Cc1ccc([C@@H](CNC(=O)N2CC[NH+](CC(C)C)CC2)[NH+]2CCCC2)cc1 ZINC000520296823 504458565 /nfs/dbraw/zinc/45/85/65/504458565.db2.gz VJMONMOJLLAXSX-OAQYLSRUSA-N 2 0 372.557 3.115 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(OCCO)cc1 ZINC000539069947 504463248 /nfs/dbraw/zinc/46/32/48/504463248.db2.gz AXBIKQKOVWSFOG-XMSQKQJNSA-N 2 0 354.494 3.058 20 0 FGADRP Brc1cccc(C2([NH2+]CC3CC[NH2+]CC3)CCOCC2)c1 ZINC000520335565 504469432 /nfs/dbraw/zinc/46/94/32/504469432.db2.gz CBJOEFSVZOULSO-UHFFFAOYSA-N 2 0 353.304 3.044 20 0 FGADRP C[C@@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]CCCCn1ccnc1 ZINC000531938488 504480210 /nfs/dbraw/zinc/48/02/10/504480210.db2.gz UBPXVJSIWZWVJI-INIZCTEOSA-N 2 0 362.905 3.344 20 0 FGADRP CC(C)[N@H+](C)CCC[NH2+][C@H](C)CC(=O)N(C)Cc1cccc(Cl)c1 ZINC000531944790 504482786 /nfs/dbraw/zinc/48/27/86/504482786.db2.gz KXSWSFXOKMOLTB-MRXNPFEDSA-N 2 0 353.938 3.397 20 0 FGADRP CC(C)CC[NH+]1CCC(CNC(=O)NCC[C@H](C)[NH+]2CCCCC2)CC1 ZINC000542432004 504487274 /nfs/dbraw/zinc/48/72/74/504487274.db2.gz DPGMMJBYJXUTIC-IBGZPJMESA-N 2 0 366.594 3.308 20 0 FGADRP C[C@@H](CCNC(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1)[NH+]1CCCCC1 ZINC000542435839 504489593 /nfs/dbraw/zinc/48/95/93/504489593.db2.gz PGVXHTKMUPTWQO-FPOVZHCZSA-N 2 0 372.557 3.215 20 0 FGADRP CC(C)[N@@H+]1CC[C@H](CNC(=O)N2C[C@H](C)[NH+](Cc3ccccc3)C[C@H]2C)C1 ZINC000535749657 504529426 /nfs/dbraw/zinc/52/94/26/504529426.db2.gz DGNYETDWKVSMPM-QKNQBKEWSA-N 2 0 372.557 3.021 20 0 FGADRP CC[NH+](CC)CCOC1CC[NH+](Cc2cn(C)nc2-c2ccccc2)CC1 ZINC000539408015 504562159 /nfs/dbraw/zinc/56/21/59/504562159.db2.gz SIXVMEQIEGRMRM-UHFFFAOYSA-N 2 0 370.541 3.410 20 0 FGADRP COc1cc(C)ccc1[C@H](C)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000532197151 504570206 /nfs/dbraw/zinc/57/02/06/504570206.db2.gz LFKBVJSRGOFDPV-KRWDZBQOSA-N 2 0 354.498 3.001 20 0 FGADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)NCC[NH+]2[C@@H](C)CCC[C@@H]2C)C1 ZINC000520756748 504575188 /nfs/dbraw/zinc/57/51/88/504575188.db2.gz VZSHJEQIUHWRMN-HUUJSLGLSA-N 2 0 372.557 3.384 20 0 FGADRP CC(C)C[C@@H](CNC(=O)NCC1=CC[N@H+](C)CC1)[NH2+][C@H](C)c1ccccc1 ZINC000539485313 504585665 /nfs/dbraw/zinc/58/56/65/504585665.db2.gz FRZFGUREXTYFOL-NQIIRXRSSA-N 2 0 372.557 3.313 20 0 FGADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N(C)[C@H](C)C2CC[NH+](C)CC2)C1 ZINC000542747282 504594245 /nfs/dbraw/zinc/59/42/45/504594245.db2.gz ZIPSYKIMASEBOM-QZTJIDSGSA-N 2 0 366.594 3.259 20 0 FGADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)NC[C@@H](C)[NH+]1CCC(C)CC1 ZINC000520878467 504602781 /nfs/dbraw/zinc/60/27/81/504602781.db2.gz BGZRWGGHOLAWBJ-LJQANCHMSA-N 2 0 374.573 3.446 20 0 FGADRP C(CC1CC[NH+](C[C@H]2CCC3(CCCC3)O2)CC1)C[NH+]1CCOCC1 ZINC000548915244 504618130 /nfs/dbraw/zinc/61/81/30/504618130.db2.gz RMTJSWZFAVOAGF-HXUWFJFHSA-N 2 0 350.547 3.303 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)N[C@@H]2CC[NH+](C)[C@@H]2c2ccccc2)C1 ZINC000536100491 504633925 /nfs/dbraw/zinc/63/39/25/504633925.db2.gz VLZWVIKUPROHPL-KOUHRCEDSA-N 2 0 372.557 3.099 20 0 FGADRP C[NH+]1CCN(c2cccc(Cl)c2CNCCC[NH+]2CCCCC2)CC1 ZINC000536132466 504643644 /nfs/dbraw/zinc/64/36/44/504643644.db2.gz SNPSPBQHSROLAU-UHFFFAOYSA-N 2 0 364.965 3.057 20 0 FGADRP COc1ccc2oc([C@H](C)[NH2+]CCCC[NH+]3CCN(C)CC3)c(C)c2c1 ZINC000532449861 504654708 /nfs/dbraw/zinc/65/47/08/504654708.db2.gz SBWWRYXSVKKNPC-KRWDZBQOSA-N 2 0 359.514 3.428 20 0 FGADRP CCC[NH+]1CCC(NC(=O)NCC(C)(C)[N@@H+]2CCC[C@H](CC)C2)CC1 ZINC000521163385 504666277 /nfs/dbraw/zinc/66/62/77/504666277.db2.gz NAMBMASRJMIMNG-KRWDZBQOSA-N 2 0 352.567 3.061 20 0 FGADRP CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)N2CCC(C[N@@H+](C)C(C)C)CC2)c1C ZINC000532536675 504686064 /nfs/dbraw/zinc/68/60/64/504686064.db2.gz HPYKAFPCACLRKH-INIZCTEOSA-N 2 0 361.530 3.458 20 0 FGADRP C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000521246861 504692006 /nfs/dbraw/zinc/69/20/06/504692006.db2.gz YBRWTLGOQIRNMG-QRVBRYPASA-N 2 0 357.542 3.379 20 0 FGADRP CC[NH+]1CCN(Cc2ccc(C[NH2+][C@@H](C)C3CC(F)(F)C3)cc2)CC1 ZINC000529533524 504718571 /nfs/dbraw/zinc/71/85/71/504718571.db2.gz QYQLCBIWVIFFNN-INIZCTEOSA-N 2 0 351.485 3.348 20 0 FGADRP CC(C)[NH+]1CCN([C@H]2CC[N@H+](Cc3ccccc3OCC3CC3)C2)CC1 ZINC000539863158 504720954 /nfs/dbraw/zinc/72/09/54/504720954.db2.gz IWUCBFSEIOKFKU-NRFANRHFSA-N 2 0 357.542 3.076 20 0 FGADRP C[N@@H+]1CCC[C@@H](CNC(=O)Nc2ccc(OCC[NH+]3CCCCC3)cc2)C1 ZINC000532660850 504728571 /nfs/dbraw/zinc/72/85/71/504728571.db2.gz LWVYXVSJFJSPBJ-SFHVURJKSA-N 2 0 374.529 3.015 20 0 FGADRP [NH3+][C@@H](CCC(=O)NCc1ccccc1C[NH+]1CCCC1)c1ccccc1 ZINC000521430679 504736145 /nfs/dbraw/zinc/73/61/45/504736145.db2.gz YFXWYMQLQBOVNT-NRFANRHFSA-N 2 0 351.494 3.379 20 0 FGADRP CCc1cc(NCc2ccnc(OCC[NH+](C)C)c2)c2ccccc2[nH+]1 ZINC000536493621 504747806 /nfs/dbraw/zinc/74/78/06/504747806.db2.gz ZMFNFMGSDGBWFD-UHFFFAOYSA-N 2 0 350.466 3.167 20 0 FGADRP C[C@H]([NH2+]CCCN1CC[N@H+](C)C[C@H]1c1ccccc1)c1ccc(F)cn1 ZINC000539968339 504750073 /nfs/dbraw/zinc/75/00/73/504750073.db2.gz UEEFWXBRXIEOGD-UWJYYQICSA-N 2 0 356.489 3.250 20 0 FGADRP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@@H+](C)C2CCCCC2)CC1 ZINC000521586184 504760578 /nfs/dbraw/zinc/76/05/78/504760578.db2.gz NDQWTMYPZTYOBU-UHFFFAOYSA-N 2 0 357.542 3.294 20 0 FGADRP CC(C)[NH+]1CCN(c2cccc(NC(=O)C[C@@H](C)[C@@H]3CCC[NH2+]C3)c2)CC1 ZINC000521620169 504764993 /nfs/dbraw/zinc/76/49/93/504764993.db2.gz JNROYVTZDLPIQK-RTBURBONSA-N 2 0 372.557 3.181 20 0 FGADRP C[N@H+](Cc1ccccc1)CC(C)(C)NC(=O)NC1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC000532842162 504765749 /nfs/dbraw/zinc/76/57/49/504765749.db2.gz GVPIWNPXUOIPHQ-IHWFROFDSA-N 2 0 372.557 3.212 20 0 FGADRP CC(C)[C@H](C[NH2+]Cc1cc(C(N)=O)cs1)N1CCc2ccccc2C1 ZINC000532870590 504770016 /nfs/dbraw/zinc/77/00/16/504770016.db2.gz FIMFYBMBWBPKTM-IBGZPJMESA-N 2 0 357.523 3.020 20 0 FGADRP O=C1C[C@H](C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)CN1C1CC1 ZINC000565095184 504792653 /nfs/dbraw/zinc/79/26/53/504792653.db2.gz QYVIBUFUCUIVFK-ZDFPQIBNSA-N 2 0 367.537 3.030 20 0 FGADRP C[C@@H](C[NH2+]Cc1ccc(Oc2ccc(F)cc2)cc1)N1CC[NH+](C)CC1 ZINC000556149530 504805740 /nfs/dbraw/zinc/80/57/40/504805740.db2.gz ATHUXSHMLIEIFR-KRWDZBQOSA-N 2 0 357.473 3.344 20 0 FGADRP CCS(=O)(=O)c1ccc(C[NH2+][C@H]2CCN(C)[C@@H](c3ccccc3)C2)cc1 ZINC000556160234 504807377 /nfs/dbraw/zinc/80/73/77/504807377.db2.gz UJLPFTYTXNUVJU-PZJWPPBQSA-N 2 0 372.534 3.405 20 0 FGADRP CCc1nc2cc(CNC(=O)N3CCC[N@@H+](CC)CC3)ccc2n1C1CC1 ZINC000549615450 504860704 /nfs/dbraw/zinc/86/07/04/504860704.db2.gz BZWXEBSPZSVBLX-UHFFFAOYSA-N 2 0 369.513 3.171 20 0 FGADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@@H](CO)c1ccc(C(F)(F)F)cc1 ZINC000565357569 504863932 /nfs/dbraw/zinc/86/39/32/504863932.db2.gz VIVWHPUUTXYRGV-PXAZEXFGSA-N 2 0 353.388 3.252 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)CC1 ZINC000565366312 504866927 /nfs/dbraw/zinc/86/69/27/504866927.db2.gz ARXIQYQRZYBOOC-PBASOCQRSA-N 2 0 361.574 3.410 20 0 FGADRP C[NH+](C)CCOc1ccc(C[NH2+]Cc2cnc(-c3ccncc3)s2)cc1 ZINC000553314909 504880841 /nfs/dbraw/zinc/88/08/41/504880841.db2.gz FWPKQVDTVHOUIS-UHFFFAOYSA-N 2 0 368.506 3.435 20 0 FGADRP CCC[NH+]1CCC(C[NH2+]Cc2c(Cl)cccc2N2CCOCC2)CC1 ZINC000549733810 504883743 /nfs/dbraw/zinc/88/37/43/504883743.db2.gz KGHCTTBMZGPEIQ-UHFFFAOYSA-N 2 0 365.949 3.388 20 0 FGADRP CC(C)[C@@H]([NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1)c1ccccc1Cl ZINC000553338603 504888005 /nfs/dbraw/zinc/88/80/05/504888005.db2.gz GTPMKYBEIKSTGP-HXUWFJFHSA-N 2 0 363.933 3.370 20 0 FGADRP CC[C@@H](C(=O)N1CC[C@H](C[NH+]2CCCCC2)C1)[N@H+](C)Cc1ccccc1 ZINC000549771317 504893824 /nfs/dbraw/zinc/89/38/24/504893824.db2.gz JQFWOLGVXFYBDO-RTWAWAEBSA-N 2 0 357.542 3.231 20 0 FGADRP COc1cccc([C@H]2[C@H](c3ccccc3)CC[N@@H+]2CCN2CC[NH2+]CC2)c1 ZINC000565481330 504900526 /nfs/dbraw/zinc/90/05/26/504900526.db2.gz UKRWKQQSIWLPHR-GOTSBHOMSA-N 2 0 365.521 3.131 20 0 FGADRP CC1(C)CC[N@H+](CC(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)C1 ZINC000553405635 504906826 /nfs/dbraw/zinc/90/68/26/504906826.db2.gz VMBCBFBSUJTRIP-UHFFFAOYSA-N 2 0 357.542 3.411 20 0 FGADRP CCC[NH+]1CCN(c2ccccc2C[NH2+]C[C@@H]2CC[N@@H+](C(C)C)C2)CC1 ZINC000565509504 504907365 /nfs/dbraw/zinc/90/73/65/504907365.db2.gz YRNQPGWSAHZEBK-FQEVSTJZSA-N 3 0 358.574 3.039 20 0 FGADRP C[N@@H+]1CCC[C@@]2(CC[NH+](C[C@@H](O)Cc3ccccc3C(F)(F)F)C2)C1 ZINC000549841648 504913912 /nfs/dbraw/zinc/91/39/12/504913912.db2.gz XQWZHKDKCZVBPW-FUHWJXTLSA-N 2 0 356.432 3.027 20 0 FGADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]C[C@H](O)COc2ccc3ccccc3c2)C1 ZINC000565536209 504916015 /nfs/dbraw/zinc/91/60/15/504916015.db2.gz YCQXNADRLBJLEZ-RXVVDRJESA-N 2 0 356.510 3.290 20 0 FGADRP CC[C@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@H+](C)Cc1ccccc1 ZINC000550128113 504972828 /nfs/dbraw/zinc/97/28/28/504972828.db2.gz YJWSTJTYIUAJGZ-FCHUYYIVSA-N 2 0 365.521 3.288 20 0 FGADRP c1cc(C[NH2+]CCc2ccc(OCC[NH+]3CCCC3)cc2)nc2c1CCC2 ZINC000556785367 504973569 /nfs/dbraw/zinc/97/35/69/504973569.db2.gz XIYVHRMWJKVQJD-UHFFFAOYSA-N 2 0 365.521 3.377 20 0 FGADRP CC[C@@H](C(=O)N(CC(C)C)C1CC[NH+](C)CC1)[N@H+](C)Cc1ccccc1 ZINC000550164791 504982932 /nfs/dbraw/zinc/98/29/32/504982932.db2.gz WTIBDEDDPOQFID-NRFANRHFSA-N 2 0 359.558 3.476 20 0 FGADRP CC[C@H](C(=O)N1CC[NH+]([C@@H]2C[C@@H]2C)C[C@H](C)C1)[N@H+](C)Cc1ccccc1 ZINC000553768224 505004172 /nfs/dbraw/zinc/00/41/72/505004172.db2.gz PWQBPEGZYITJLP-FMWKFLBASA-N 2 0 357.542 3.086 20 0 FGADRP C[NH+](C)CCOc1cnccc1C[NH2+]Cc1cc(Br)cs1 ZINC000565855815 505007004 /nfs/dbraw/zinc/00/70/04/505007004.db2.gz VLABFPULMFINLW-UHFFFAOYSA-N 2 0 370.316 3.136 20 0 FGADRP C[C@H]1CCCC[N@@H+]1CCCC[NH2+]C[C@H](O)COc1cccc2[nH]ccc21 ZINC000562988516 505012445 /nfs/dbraw/zinc/01/24/45/505012445.db2.gz PDQHHJWFAINPHD-ROUUACIJSA-N 2 0 359.514 3.152 20 0 FGADRP C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)C[C@H]2CCCC[C@@H]2[NH3+])CC1 ZINC000563047897 505033720 /nfs/dbraw/zinc/03/37/20/505033720.db2.gz JWAFBBCNUJZDDD-RTWAWAEBSA-N 2 0 357.542 3.265 20 0 FGADRP C[C@H](C(=O)N1CCCC[C@@H]1C[NH+](C)C)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000553975770 505058144 /nfs/dbraw/zinc/05/81/44/505058144.db2.gz MQSYYZNHFKONOP-DENIHFKCSA-N 2 0 371.569 3.272 20 0 FGADRP Cc1ccccc1C[C@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)C1CC1 ZINC000566024526 505058586 /nfs/dbraw/zinc/05/85/86/505058586.db2.gz BDDJEIGYMGKXBZ-QFIPXVFZSA-N 2 0 364.537 3.253 20 0 FGADRP CC[C@H]1C[N@H+](C)CCN1C(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000560410071 505075752 /nfs/dbraw/zinc/07/57/52/505075752.db2.gz DZUOMVRLYXBIEA-IBGZPJMESA-N 2 0 374.529 3.109 20 0 FGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]CCc2cscn2)CC1 ZINC000550711288 505088042 /nfs/dbraw/zinc/08/80/42/505088042.db2.gz ULFZAUAAYIACRL-HNNXBMFYSA-N 2 0 362.518 3.317 20 0 FGADRP C[C@@H](OC[C@H](O)C[NH2+][C@@H](C)C1=CC[N@H+](C)CC1)c1ccc(Cl)cc1 ZINC000566131806 505092612 /nfs/dbraw/zinc/09/26/12/505092612.db2.gz PPZIIDRTAMFNFW-QMTMVMCOSA-N 2 0 352.906 3.019 20 0 FGADRP CC1CC[NH+](Cc2ccccc2CNC(=O)N2CC[C@@H](C)[C@@H](C[NH3+])C2)CC1 ZINC000557205118 505092699 /nfs/dbraw/zinc/09/26/99/505092699.db2.gz PEHGGYPJQIFCHV-NQIIRXRSSA-N 2 0 372.557 3.045 20 0 FGADRP Cn1ccc(CC[NH2+][C@@H]2CCCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC000560549842 505122810 /nfs/dbraw/zinc/12/28/10/505122810.db2.gz ZIGDSWIECDCELN-ILWGZMRPSA-N 2 0 352.526 3.243 20 0 FGADRP CC(C)(C)[C@@H]1NC(=O)CC[C@H]1[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000560576136 505131168 /nfs/dbraw/zinc/13/11/68/505131168.db2.gz UAKGMNAEUOYOLS-UDGWLPKNSA-N 2 0 369.553 3.180 20 0 FGADRP CCCC[C@H]([NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1)c1ccc(OC)cc1 ZINC000557522179 505156392 /nfs/dbraw/zinc/15/63/92/505156392.db2.gz OOGBJHDDUKXJKG-NRFANRHFSA-N 2 0 373.541 3.259 20 0 FGADRP C[NH+](C)C[C@@H](NC(=O)NC[C@H](c1ccccc1)[NH+](C)C)c1ccc(F)cc1 ZINC000554449230 505176526 /nfs/dbraw/zinc/17/65/26/505176526.db2.gz FHVSBCBUGUPBNO-WOJBJXKFSA-N 2 0 372.488 3.031 20 0 FGADRP c1ccc(C[N@H+]2C[C@H](C[NH2+][C@@H]3CCCOCC3)C3(C2)CCOCC3)cc1 ZINC000551265376 505188417 /nfs/dbraw/zinc/18/84/17/505188417.db2.gz UZLQTEWMQABNCL-LEWJYISDSA-N 2 0 358.526 3.074 20 0 FGADRP COc1cc(F)c([C@H](C)[NH2+]CCCC[NH+]2C[C@@H](C)O[C@H](C)C2)cc1OC ZINC000560897415 505208908 /nfs/dbraw/zinc/20/89/08/505208908.db2.gz FGLYQCFFGWBJFX-OAGGEKHMSA-N 2 0 368.493 3.383 20 0 FGADRP CCCN(CCC[NH+](C)C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H]1C ZINC000554622074 505225306 /nfs/dbraw/zinc/22/53/06/505225306.db2.gz MGMBBUPFTKVYHJ-AZUAARDMSA-N 2 0 360.546 3.023 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1)CC(C)C ZINC000561109025 505252906 /nfs/dbraw/zinc/25/29/06/505252906.db2.gz BYJBNHVPEACTME-WOJBJXKFSA-N 2 0 366.594 3.403 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccccc2Cn2ccnc2)[C@H](C)C1 ZINC000564008592 505300813 /nfs/dbraw/zinc/30/08/13/505300813.db2.gz LHVXGOAAGFURFM-KNQAVFIVSA-N 2 0 370.541 3.158 20 0 FGADRP C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](Cc3ccccc3)C2)[C@@H]1c1ccccc1 ZINC000561309545 505311425 /nfs/dbraw/zinc/31/14/25/505311425.db2.gz NOEQJZYPYRCIIV-FSSWDIPSSA-N 2 0 363.505 3.070 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@]2(C)OCCc3sccc32)[C@H](C)C1 ZINC000555003073 505325919 /nfs/dbraw/zinc/32/59/19/505325919.db2.gz NAZXBSQIXQKRBM-KPFFTGBYSA-N 2 0 366.571 3.263 20 0 FGADRP COc1cc([C@@H](C)[NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)ccn1 ZINC000564114952 505328607 /nfs/dbraw/zinc/32/86/07/505328607.db2.gz DBKNUZFDDPDCFB-QGZVFWFLSA-N 2 0 355.482 3.416 20 0 FGADRP COc1cc([C@H](C)[NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)ccn1 ZINC000564114951 505329328 /nfs/dbraw/zinc/32/93/28/505329328.db2.gz DBKNUZFDDPDCFB-KRWDZBQOSA-N 2 0 355.482 3.416 20 0 FGADRP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@H](C(C)(C)C)C2)CC1 ZINC000564156565 505341017 /nfs/dbraw/zinc/34/10/17/505341017.db2.gz ISCMYVNHFHIOEE-FQEVSTJZSA-N 2 0 371.569 3.444 20 0 FGADRP CCC[N@H+](CC)C[C@@H](C)NC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000555158722 505366357 /nfs/dbraw/zinc/36/63/57/505366357.db2.gz GCLNAZMFTHYNPQ-LJQANCHMSA-N 2 0 374.573 3.379 20 0 FGADRP CC[C@H]([NH2+][C@@H](C)CN1CC[NH+](C)CC1)c1ccc(OC(F)(F)F)cc1 ZINC000552044857 505380420 /nfs/dbraw/zinc/38/04/20/505380420.db2.gz PYNXWTOJTREYOE-YOEHRIQHSA-N 2 0 359.436 3.262 20 0 FGADRP CCC[N@H+](C)[C@H](CNC(=O)NCC[NH+](C)C1CC1)c1ccc(Cl)cc1 ZINC000561580734 505382881 /nfs/dbraw/zinc/38/28/81/505382881.db2.gz ZLSHIHZFGNDCEV-GOSISDBHSA-N 2 0 366.937 3.116 20 0 FGADRP CC(C)[N@H+](CC(=O)Nc1ccc(F)cc1)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000567172368 505384757 /nfs/dbraw/zinc/38/47/57/505384757.db2.gz KLHJOYIFFPFTHH-UHFFFAOYSA-N 2 0 355.457 3.321 20 0 FGADRP COCc1ccccc1/C=C(/C)C[N@@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000552060589 505386227 /nfs/dbraw/zinc/38/62/27/505386227.db2.gz PJRDKGMTGHSBRM-HVQRGMKJSA-N 2 0 371.569 3.337 20 0 FGADRP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]C[C@@H](CO)Cc2ccco2)CC1 ZINC000567453379 505468146 /nfs/dbraw/zinc/46/81/46/505468146.db2.gz TYTDBGIYZJCCCM-QUCCMNQESA-N 2 0 356.510 3.116 20 0 FGADRP C[C@@H]1CN(C(=O)NCc2ccccc2C[N@@H+]2CCCC[C@H]2C)C[C@@]1(C)C[NH3+] ZINC000567453899 505468441 /nfs/dbraw/zinc/46/84/41/505468441.db2.gz XCGHCSWSSPLPLQ-JBYIUTFZSA-N 2 0 372.557 3.187 20 0 FGADRP C[NH+](C)CCCCC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000552537173 505510081 /nfs/dbraw/zinc/51/00/81/505510081.db2.gz MTGZVURSSANNRR-SFHVURJKSA-N 2 0 351.922 3.325 20 0 FGADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(N2CCc3ccccc3C2)nc1 ZINC000567647087 505523522 /nfs/dbraw/zinc/52/35/22/505523522.db2.gz SSSVVMLPLMQVRG-FPOVZHCZSA-N 2 0 350.510 3.251 20 0 FGADRP O=C(c1ccc2c[nH+]cn2c1)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000555876610 505530925 /nfs/dbraw/zinc/53/09/25/505530925.db2.gz FUXASWRBYYAHBX-UHFFFAOYSA-N 2 0 374.488 3.463 20 0 FGADRP C[C@@H](c1ccccc1)[C@@H](O)C[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000567691245 505538332 /nfs/dbraw/zinc/53/83/32/505538332.db2.gz SLVNTLOKKCSJST-CVDCTZTESA-N 2 0 368.521 3.415 20 0 FGADRP Cc1ccccc1[C@H]([NH3+])C(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1 ZINC000567811741 505565025 /nfs/dbraw/zinc/56/50/25/505565025.db2.gz CWDCXISKFPTUNK-SFHVURJKSA-N 2 0 361.873 3.227 20 0 FGADRP C[C@@H](c1cc2ccccc2o1)N(C)C(=O)C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000567889656 505570045 /nfs/dbraw/zinc/57/00/45/505570045.db2.gz HLSBJBNNJDUYOW-LPHOPBHVSA-N 2 0 369.509 3.274 20 0 FGADRP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H](c1c(F)cccc1Cl)N1CCCC1 ZINC000599394737 506439692 /nfs/dbraw/zinc/43/96/92/506439692.db2.gz JCJUXDVEIYYBJC-SJORKVTESA-N 2 0 367.896 3.217 20 0 FGADRP Cc1ccc(-c2n[nH]cc2C[NH+]2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)cc1 ZINC000582833053 506445138 /nfs/dbraw/zinc/44/51/38/506445138.db2.gz FYXXXJUGSNZZFG-UXHICEINSA-N 2 0 354.498 3.103 20 0 FGADRP CCC(CC)[C@@H](CNC(=O)NCCC[NH+]1CCCCC1)[NH+]1CCCC1 ZINC000612186547 506476725 /nfs/dbraw/zinc/47/67/25/506476725.db2.gz BLVMOPQMSHYLPV-LJQANCHMSA-N 2 0 352.567 3.062 20 0 FGADRP O=C(NCC1([NH+]2CCCCC2)CCCCC1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000589204719 506482830 /nfs/dbraw/zinc/48/28/30/506482830.db2.gz SVHLVPLXCQAZTB-IBGZPJMESA-N 2 0 362.562 3.055 20 0 FGADRP C[NH+](C)CCc1ccc(NC(=O)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000582971956 506517198 /nfs/dbraw/zinc/51/71/98/506517198.db2.gz BAHOGGRIQBUWRZ-HXUWFJFHSA-N 2 0 351.494 3.251 20 0 FGADRP CCC(CC)[C@@H](CNC(=O)N1CCC[C@@H]([NH+]2CCCC2)C1)[NH+]1CCCC1 ZINC000612339170 506534262 /nfs/dbraw/zinc/53/42/62/506534262.db2.gz TZDFEGYYUJMGQA-WOJBJXKFSA-N 2 0 364.578 3.157 20 0 FGADRP C[C@H]([NH2+]CCC1CC[NH2+]CC1)c1ccccc1I ZINC000593323030 506540233 /nfs/dbraw/zinc/54/02/33/506540233.db2.gz OMCLPTLRTPZGBB-LBPRGKRZSA-N 2 0 358.267 3.332 20 0 FGADRP C[C@H](C(=O)N(CC[NH+](C)C)Cc1ccccc1F)[C@@H]([NH3+])c1ccccc1 ZINC000583082814 506581359 /nfs/dbraw/zinc/58/13/59/506581359.db2.gz CLBWBQIJFZTLMZ-OXJNMPFZSA-N 2 0 357.473 3.052 20 0 FGADRP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@@H]1CCC[NH+]1CC ZINC000608697771 506671878 /nfs/dbraw/zinc/67/18/78/506671878.db2.gz CVAIDGGIPXQZJZ-SFTDATJTSA-N 2 0 372.557 3.024 20 0 FGADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)NC[C@@H]1CCC[NH+]1Cc1ccccc1 ZINC000604080016 506707711 /nfs/dbraw/zinc/70/77/11/506707711.db2.gz HBZMANYOVPJQLS-RTWAWAEBSA-N 2 0 372.557 3.215 20 0 FGADRP CSC1(C[NH2+]C2CCC3(CC2)c2ccccc2NC3=O)CC[NH+](C)CC1 ZINC000583315088 506712047 /nfs/dbraw/zinc/71/20/47/506712047.db2.gz KJPYYAAKHLYQJV-UHFFFAOYSA-N 2 0 373.566 3.236 20 0 FGADRP C[C@H](OC[C@H](O)C[NH2+]CCC1CC[NH+](C)CC1)c1ccc(Cl)cc1 ZINC000583317665 506713933 /nfs/dbraw/zinc/71/39/33/506713933.db2.gz SCODPUYJLMZKLK-HNAYVOBHSA-N 2 0 354.922 3.100 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1CCNC(=O)N[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000590078969 506727149 /nfs/dbraw/zinc/72/71/49/506727149.db2.gz MJJHOAANWVNUTN-CTNGQTDRSA-N 2 0 372.557 3.387 20 0 FGADRP O=C(N[C@H](C[NH+]1CCCCC1)c1ccccc1)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000604176084 506737371 /nfs/dbraw/zinc/73/73/71/506737371.db2.gz VMVXWQKIZSPRNN-NJYVYQBISA-N 2 0 370.541 3.140 20 0 FGADRP O=C(NCc1cccc(C[NH+]2CCCCCC2)c1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000604186111 506742058 /nfs/dbraw/zinc/74/20/58/506742058.db2.gz LWDXLMKKCUEJQT-FQEVSTJZSA-N 2 0 370.541 3.099 20 0 FGADRP CC[NH+]1CCC(CNC(=O)N[C@H](C[NH+]2CCCCC2)c2ccccc2)CC1 ZINC000604187944 506742311 /nfs/dbraw/zinc/74/23/11/506742311.db2.gz NDAFPMQGAJASNL-OAQYLSRUSA-N 2 0 372.557 3.245 20 0 FGADRP CN(C)C(=O)[C@H]([NH2+]CC1CC[NH+](Cc2cccs2)CC1)c1ccccc1 ZINC000604772847 506938264 /nfs/dbraw/zinc/93/82/64/506938264.db2.gz ZAXCTEBJDXIAOT-HXUWFJFHSA-N 2 0 371.550 3.379 20 0 FGADRP CCC[N@H+](C)[C@H](CNC(=O)N(C)CCC[NH+](C)C)c1ccc(Cl)cc1 ZINC000583772021 506964666 /nfs/dbraw/zinc/96/46/66/506964666.db2.gz KEKXBSJFGVLMHR-GOSISDBHSA-N 2 0 368.953 3.316 20 0 FGADRP CC[N@H+](Cc1ccc(C(=O)N2C[C@@H]3CCCC[NH+]3C[C@@H]2C)cc1)C1CC1 ZINC000604967546 507008134 /nfs/dbraw/zinc/00/81/34/507008134.db2.gz DGAHAPCJBCGDDO-UWJYYQICSA-N 2 0 355.526 3.370 20 0 FGADRP C[C@H]([NH3+])[C@H]1CCCN(C(=O)NCc2ccccc2C[N@@H+]2CCC[C@@H](C)C2)C1 ZINC000583920676 507051263 /nfs/dbraw/zinc/05/12/63/507051263.db2.gz XNUZMVHHNUEFTQ-HBFSDRIKSA-N 2 0 372.557 3.187 20 0 FGADRP C[C@@H]([C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+](C)CCCNC(=O)C1CCC1 ZINC000583961966 507071803 /nfs/dbraw/zinc/07/18/03/507071803.db2.gz YSPQYWFNGGBDIB-RXVVDRJESA-N 2 0 357.542 3.135 20 0 FGADRP C[C@@H](CC[NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1)c1ccccc1 ZINC000583974509 507078498 /nfs/dbraw/zinc/07/84/98/507078498.db2.gz SXAOAXKUVBEZCR-FQEVSTJZSA-N 2 0 367.541 3.162 20 0 FGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H](c1ccc(OC)cc1)[NH+]1CCCCC1 ZINC000591095055 507111577 /nfs/dbraw/zinc/11/15/77/507111577.db2.gz UPIWBJZPLVPWJN-NHCUHLMSSA-N 2 0 373.541 3.213 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)N1CCC([NH+](C)C)CC1 ZINC000591429967 507247883 /nfs/dbraw/zinc/24/78/83/507247883.db2.gz JJZAIZRFBLGDLF-GOSISDBHSA-N 2 0 373.541 3.106 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)N1CCC[C@@H]1C[NH+]1CCCC1)CC(C)C ZINC000591552246 507290093 /nfs/dbraw/zinc/29/00/93/507290093.db2.gz LSBVDNMZIPZAIR-RTBURBONSA-N 2 0 352.567 3.013 20 0 FGADRP Cc1ccc([C@H](CNC(=O)NC[C@H](C(C)C)[NH+]2CCCC2)[NH+](C)C)cc1 ZINC000591579246 507301642 /nfs/dbraw/zinc/30/16/42/507301642.db2.gz GFGMXKAKTIFHQK-UXHICEINSA-N 2 0 360.546 3.017 20 0 FGADRP CC(C)[NH2+][C@H]1CCCN(C(=O)NCc2ccc(N3CCCCCC3)nc2)C1 ZINC000601236076 507305903 /nfs/dbraw/zinc/30/59/03/507305903.db2.gz AOWOBILYGIEETG-IBGZPJMESA-N 2 0 373.545 3.134 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N1CCC[C@H]([NH2+]C(C)C)C1)Cc1ccccc1 ZINC000601243700 507308943 /nfs/dbraw/zinc/30/89/43/507308943.db2.gz BVAGOJHBQVFTAV-SFTDATJTSA-N 2 0 374.573 3.112 20 0 FGADRP CN(CC[N@H+](C)CCCc1c(F)cccc1Cl)C1CC[NH+](C)CC1 ZINC000584377784 507310980 /nfs/dbraw/zinc/31/09/80/507310980.db2.gz DZELJDFPFGFKPV-UHFFFAOYSA-N 2 0 355.929 3.370 20 0 FGADRP Ic1ccc(CC[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000594993439 507345429 /nfs/dbraw/zinc/34/54/29/507345429.db2.gz GJYIBLVTSSZGTK-HOTGVXAUSA-N 2 0 370.278 3.050 20 0 FGADRP C[C@@H](CSCCF)[NH2+][C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000595009768 507352785 /nfs/dbraw/zinc/35/27/85/507352785.db2.gz DOGIACIAALZIAF-GJZGRUSLSA-N 2 0 357.514 3.319 20 0 FGADRP O=C(NCc1cccc(-n2ccnc2)c1)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC000584570609 507416738 /nfs/dbraw/zinc/41/67/38/507416738.db2.gz ZTHGIUUADPDGIC-FQEVSTJZSA-N 2 0 352.482 3.286 20 0 FGADRP O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)Nc1ccc2nccn2c1 ZINC000606580742 507449824 /nfs/dbraw/zinc/44/98/24/507449824.db2.gz CDFDTMSUYKYRMD-MRXNPFEDSA-N 2 0 353.426 3.276 20 0 FGADRP C[C@H](C[NH+]1CCCCC1)NC(=O)N(CC[NH+](C)C)CC1CCCCC1 ZINC000606639045 507463365 /nfs/dbraw/zinc/46/33/65/507463365.db2.gz LSYVVZJLGPKTPM-GOSISDBHSA-N 2 0 352.567 3.014 20 0 FGADRP CC[NH+]1CCC(CC[NH2+]C[C@@H](O)CO[C@H]2CCCc3ccccc32)CC1 ZINC000584834344 507530316 /nfs/dbraw/zinc/53/03/16/507530316.db2.gz JZGSMPACEQOIQU-IRLDBZIGSA-N 2 0 360.542 3.153 20 0 FGADRP C[C@H](OC[C@@H](O)C[NH2+]C1CC[NH+](C2CCC2)CC1)c1ccc(Cl)cc1 ZINC000584834551 507531739 /nfs/dbraw/zinc/53/17/39/507531739.db2.gz BHTZWARHGWTWLO-YWZLYKJASA-N 2 0 366.933 3.385 20 0 FGADRP CC[NH+](CC)CC1CC[NH+](Cc2cc(C(=O)OC)c3n2CCCC3)CC1 ZINC000598679417 507549323 /nfs/dbraw/zinc/54/93/23/507549323.db2.gz SHBQXHLLBDHBAV-UHFFFAOYSA-N 2 0 361.530 3.165 20 0 FGADRP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)[C@@H]1CCCC[NH+]1Cc1ccccc1 ZINC000607284610 507679562 /nfs/dbraw/zinc/67/95/62/507679562.db2.gz ILWHDROGGIVKID-SBHAEUEKSA-N 2 0 357.542 3.278 20 0 FGADRP C[N@H+](C[C@H](O)COc1ccc(-c2ccccc2)cc1)C[C@@H]1CCC[NH+](C)C1 ZINC000607358513 507699883 /nfs/dbraw/zinc/69/98/83/507699883.db2.gz XGDFHEZRCPZXRS-KNQAVFIVSA-N 2 0 368.521 3.367 20 0 FGADRP COc1cc(C)c([C@@H](C)[N@@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)cc1C ZINC000614962528 507707218 /nfs/dbraw/zinc/70/72/18/507707218.db2.gz LFJZBVNEBXJYQW-WOJBJXKFSA-N 2 0 359.558 3.473 20 0 FGADRP Cc1nc(NCc2ccccc2C[N@H+]2CCCC[C@H]2C)nc(N(C)C)n1 ZINC000488438816 516225317 /nfs/dbraw/zinc/22/53/17/516225317.db2.gz YQZLWAWFWPJYCA-OAHLLOKOSA-N 2 0 354.502 3.233 20 0 FGADRP Nc1nc(CN2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)nc2ccccc12 ZINC000519035644 516862453 /nfs/dbraw/zinc/86/24/53/516862453.db2.gz BCOYAFVDIZRPPD-OALUTQOASA-N 2 0 373.504 3.166 20 0 FGADRP [NH3+]C1(CNC(=O)Nc2ccc(Cl)cc2)CC[NH+](Cc2ccccc2)CC1 ZINC000623069005 568159993 /nfs/dbraw/zinc/15/99/93/568159993.db2.gz RMNSCHCWLLECNB-UHFFFAOYSA-N 2 0 372.900 3.455 20 0 FGADRP CCc1ccc(NC(=O)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000623069084 568163305 /nfs/dbraw/zinc/16/33/05/568163305.db2.gz UIZVOCGHYNHDLP-UHFFFAOYSA-N 2 0 366.509 3.364 20 0 FGADRP CCC1([NH+](C)C)CCN(C(=O)NCC2CC[NH+](CCC(C)C)CC2)CC1 ZINC000636900790 568185012 /nfs/dbraw/zinc/18/50/12/568185012.db2.gz WVTKNQVSIBSWIR-UHFFFAOYSA-N 2 0 366.594 3.260 20 0 FGADRP CCC1([NH+](C)C)CCN(C(=O)N[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)CC1 ZINC000637033780 568314203 /nfs/dbraw/zinc/31/42/03/568314203.db2.gz LYYWVVMTZRAWLX-ROUUACIJSA-N 2 0 364.578 3.155 20 0 FGADRP C[NH+](C)Cc1cccc(C[NH2+][C@@H]2CCCc3cc(-c4nn[nH]n4)ccc32)c1 ZINC000825870513 608499000 /nfs/dbraw/zinc/49/90/00/608499000.db2.gz PLZIAKGMDZIPSX-HXUWFJFHSA-N 2 0 362.481 3.096 20 0 FGADRP C[C@@H]([NH2+]CCCC[NH+]1CCC(C)CC1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824953279 609133563 /nfs/dbraw/zinc/13/35/63/609133563.db2.gz DDELSBINVKMZNI-OAHLLOKOSA-N 2 0 360.481 3.169 20 0 FGADRP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)c1cccc(-c2nn[nH]n2)c1 ZINC000824529154 609350288 /nfs/dbraw/zinc/35/02/88/609350288.db2.gz FEEDIRKUAZUDSQ-MPGHIAIKSA-N 2 0 354.502 3.170 20 0 FGADRP C[C@@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)c1ccccc1Br ZINC000020007153 695641570 /nfs/dbraw/zinc/64/15/70/695641570.db2.gz SQXKLTWEJJXXFA-CQSZACIVSA-N 2 0 354.336 3.126 20 0 FGADRP S=c1ccn(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)c2ccccc12 ZINC000068614375 695942508 /nfs/dbraw/zinc/94/25/08/695942508.db2.gz UMICJYAKZUMSMS-UHFFFAOYSA-N 2 0 357.523 3.372 20 0 FGADRP Cc1ncc([C@@H](C)[NH2+]CCCN2CC[NH+](Cc3ccccc3)CC2)s1 ZINC000090402400 700402850 /nfs/dbraw/zinc/40/28/50/700402850.db2.gz ZMNOHIZQGGUCSG-QGZVFWFLSA-N 2 0 358.555 3.310 20 0 FGADRP CCC[NH+]1CCC([NH2+][C@H](C)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000105783242 700504914 /nfs/dbraw/zinc/50/49/14/700504914.db2.gz PCJYXQHGFPASPF-IAGOWNOFSA-N 2 0 353.551 3.486 20 0 FGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]C[C@H](O)c2ccc(Cl)cc2)[C@H](C)C1 ZINC000120466602 700655025 /nfs/dbraw/zinc/65/50/25/700655025.db2.gz HJWIQEONDUBUMR-LZQZEXGQSA-N 2 0 354.922 3.100 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@H](O)c2ccc(Cl)cc2)[C@H](C)C1 ZINC000120466437 700655051 /nfs/dbraw/zinc/65/50/51/700655051.db2.gz HJWIQEONDUBUMR-MNEFBYGVSA-N 2 0 354.922 3.100 20 0 FGADRP C[C@@H](CC(=O)Nc1cccnc1Cl)[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C ZINC000125857997 700740618 /nfs/dbraw/zinc/74/06/18/700740618.db2.gz JINKHVLOVXMBPU-ZFWWWQNUSA-N 2 0 354.926 3.408 20 0 FGADRP CC(C)(C)OC(=O)N1CC[C@H]([NH2+]C2CC[NH+](CC3CCCC3)CC2)C1 ZINC000131892769 700821261 /nfs/dbraw/zinc/82/12/61/700821261.db2.gz HPPXTEYILDWKNT-SFHVURJKSA-N 2 0 351.535 3.240 20 0 FGADRP CC(C)(C)OC(=O)N1CCC(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)CC1 ZINC000150829342 704902261 /nfs/dbraw/zinc/90/22/61/704902261.db2.gz DEKYCGWXDWRZFR-GOSISDBHSA-N 2 0 351.535 3.051 20 0 FGADRP C[C@@H]([NH2+]CCN1CC[NH+](Cc2ccccc2)CC1)c1ccnc(Cl)c1 ZINC000159346277 705220347 /nfs/dbraw/zinc/22/03/47/705220347.db2.gz NJWJQEJBWDOGTK-QGZVFWFLSA-N 2 0 358.917 3.203 20 0 FGADRP CC(C)[NH2+]C1CC[NH+](CCC2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000179833600 705718013 /nfs/dbraw/zinc/71/80/13/705718013.db2.gz FVJDQABGLCXSAW-UHFFFAOYSA-N 2 0 353.551 3.486 20 0 FGADRP C[C@H]([NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000180344662 705735814 /nfs/dbraw/zinc/73/58/14/705735814.db2.gz GEHJFWCBNPPORL-YESZJQIVSA-N 2 0 351.535 3.238 20 0 FGADRP O[C@H](C[NH+]1CCC(CCC[NH+]2CCOCC2)CC1)c1cccc(Cl)c1 ZINC000182961197 705870399 /nfs/dbraw/zinc/87/03/99/705870399.db2.gz ZPIOYEVJRBKAOA-HXUWFJFHSA-N 2 0 366.933 3.198 20 0 FGADRP COc1ccc([C@H](C)[NH2+][C@H](C)C[S@](C)=O)cc1C[NH+]1CCCCC1 ZINC000184299785 705928626 /nfs/dbraw/zinc/92/86/26/705928626.db2.gz BXOCWTBPCNGABT-YPCHGGDPSA-N 2 0 352.544 3.099 20 0 FGADRP CCC[NH+]1CCC([N@H+](C)C[C@]2(C)CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000195163704 713547322 /nfs/dbraw/zinc/54/73/22/713547322.db2.gz PYFBDZOZBZPMDK-FQEVSTJZSA-N 2 0 353.551 3.440 20 0 FGADRP C[C@H](C[C@H]1CCCN1C(=O)OC(C)(C)C)[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000246295854 713621257 /nfs/dbraw/zinc/62/12/57/713621257.db2.gz YEEPBEPURPZGRQ-JFIYKMOQSA-N 2 0 351.535 3.238 20 0 FGADRP Brc1cc2c(c(C[NH+]3CCC([C@@H]4CCC[NH2+]4)CC3)c1)OCC2 ZINC000262135774 713719721 /nfs/dbraw/zinc/71/97/21/713719721.db2.gz LYFDZEFNAVXYTI-KRWDZBQOSA-N 2 0 365.315 3.348 20 0 FGADRP C[C@H]([NH2+][C@H](CNC(=O)OC(C)(C)C)C1CCCC1)C1CC[NH+](C)CC1 ZINC000302061667 713782641 /nfs/dbraw/zinc/78/26/41/713782641.db2.gz QUMMKHNECZYVOA-MAUKXSAKSA-N 2 0 353.551 3.390 20 0 FGADRP C[C@H](C[C@@H]1CCCN1C(=O)OC(C)(C)C)[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000310591322 713799771 /nfs/dbraw/zinc/79/97/71/713799771.db2.gz GHIFSHHEEWGIGZ-XDNAFOTISA-N 2 0 351.535 3.381 20 0 FGADRP C[NH+]1CCN(C(C)(C)C[NH2+][C@H]2CCc3cc(Br)ccc32)CC1 ZINC000315333774 713806312 /nfs/dbraw/zinc/80/63/12/713806312.db2.gz VNEFYMXGMQXHDD-KRWDZBQOSA-N 2 0 366.347 3.052 20 0 FGADRP C[N@@H+]1CCC[C@H](CNC(=O)C[C@H]([NH3+])c2ccccc2)[C@H]1c1cccs1 ZINC000374412040 713920755 /nfs/dbraw/zinc/92/07/55/713920755.db2.gz PIKGCQYPVUWSAT-UWVAXJGDSA-N 2 0 357.523 3.337 20 0 FGADRP CC1CCC(O)(C[NH+]2CCC3(C[C@@H]3N(C)Cc3nccs3)CC2)CC1 ZINC000374846958 713947904 /nfs/dbraw/zinc/94/79/04/713947904.db2.gz SPVXTMSGYBJGPT-GNZRSQJKSA-N 2 0 363.571 3.371 20 0 FGADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CCc1c[nH]c2ccc(Br)cc12 ZINC000423030132 714013880 /nfs/dbraw/zinc/01/38/80/714013880.db2.gz JDNDTEOXINITKY-WBMJQRKESA-N 2 0 350.304 3.451 20 0 FGADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]CCc1c[nH]c2ccc(Br)cc12 ZINC000423030129 714013886 /nfs/dbraw/zinc/01/38/86/714013886.db2.gz JDNDTEOXINITKY-BLLLJJGKSA-N 2 0 350.304 3.451 20 0 FGADRP C[C@@H]1C[NH+](CCCC[NH2+]Cc2cscc2Br)C[C@@H](C)O1 ZINC000512037377 714128954 /nfs/dbraw/zinc/12/89/54/714128954.db2.gz GPEAFQBBNYFFFF-CHWSQXEVSA-N 2 0 361.349 3.490 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)C1 ZINC000522604693 714195084 /nfs/dbraw/zinc/19/50/84/714195084.db2.gz UHWJKZPSLGRZTO-FGTMMUONSA-N 2 0 354.583 3.020 20 0 FGADRP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](CCCOc3ccc(Cl)cc3)C2)CC1 ZINC000525172585 714326013 /nfs/dbraw/zinc/32/60/13/714326013.db2.gz DXXTYEKPSUCEHI-LJQANCHMSA-N 2 0 365.949 3.209 20 0 FGADRP C[C@@H]1[C@H](C(=O)Nc2nc3ccc(C[NH+](C)C4CC4)cc3s2)CC[N@@H+]1C ZINC000617867030 714698715 /nfs/dbraw/zinc/69/87/15/714698715.db2.gz GJHYFZKJSQYJGX-IUODEOHRSA-N 2 0 358.511 3.169 20 0 FGADRP Cc1cc(C[NH2+][C@@H](C)C2CC[NH+](C)CC2)ccc1I ZINC000619611443 714856954 /nfs/dbraw/zinc/85/69/54/714856954.db2.gz XCAKIAJLMUMWFY-ZDUSSCGKSA-N 2 0 372.294 3.420 20 0 FGADRP CC1CC[NH+]([C@@H](CNC(=O)CC[C@@H]2CCC[NH2+]C2)c2cccs2)CC1 ZINC000621641145 715013550 /nfs/dbraw/zinc/01/35/50/715013550.db2.gz BESPDYUHRMHKBH-ROUUACIJSA-N 2 0 363.571 3.417 20 0 FGADRP C[N@@H+]1CC[C@@H]([NH2+][C@@H]2CCN(c3ccccc3Br)C2)CC1(C)C ZINC000623414997 715330843 /nfs/dbraw/zinc/33/08/43/715330843.db2.gz WVPZCSFFYPKYOB-HUUCEWRRSA-N 2 0 366.347 3.490 20 0 FGADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H](C)c2cc(Br)ccc2C)CC1 ZINC000623863168 715417249 /nfs/dbraw/zinc/41/72/49/715417249.db2.gz LFSVXJMDRZJADG-CVEARBPZSA-N 2 0 368.363 3.434 20 0 FGADRP O[C@H](C[NH2+][C@H]1CCCC[C@@H]1Sc1ccc(F)cc1)C[NH+]1CCCC1 ZINC000623872079 715420613 /nfs/dbraw/zinc/42/06/13/715420613.db2.gz VFTCGANELKEFAW-NEWSRXKRSA-N 2 0 352.519 3.275 20 0 FGADRP C[C@H](C[NH2+][C@@H]1CCCc2c3cc(Cl)ccc3[nH]c21)N1CC[NH+](C)CC1 ZINC000623888856 715424968 /nfs/dbraw/zinc/42/49/68/715424968.db2.gz WJDQRHBGMASQBJ-AUUYWEPGSA-N 2 0 360.933 3.424 20 0 FGADRP CC(C)c1cc(Cl)ccc1NC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000626837257 715970773 /nfs/dbraw/zinc/97/07/73/715970773.db2.gz PGNKSLCKHJPFJR-UHFFFAOYSA-N 2 0 354.926 3.421 20 0 FGADRP C[C@H]1CSc2ccc(Br)cc2[C@@H]1[NH2+]CCOCCC[NH3+] ZINC000629536394 716304200 /nfs/dbraw/zinc/30/42/00/716304200.db2.gz GXMWSCJQPBGHMP-XHDPSFHLSA-N 2 0 359.333 3.187 20 0 FGADRP CC(C)[C@H](CCc1ccc(Cl)cc1)[NH2+]Cc1cn([C@H]2CC[NH2+]C2)nn1 ZINC000629552372 716305680 /nfs/dbraw/zinc/30/56/80/716305680.db2.gz IOTGGBHOXBMVAT-OALUTQOASA-N 2 0 361.921 3.213 20 0 FGADRP CN(C(=O)CC[C@@H]1CCCC[N@@H+]1C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000630005945 716376941 /nfs/dbraw/zinc/37/69/41/716376941.db2.gz IEBMOOZDDGRGFE-HNNXBMFYSA-N 2 0 363.468 3.126 20 0 FGADRP CC(C)[C@H](C[NH2+]Cc1ccccc1CC(F)(F)F)N1CC[NH+](C)CC1 ZINC000631039166 716552808 /nfs/dbraw/zinc/55/28/08/716552808.db2.gz SGWAADUCTUUNQE-SFHVURJKSA-N 2 0 357.464 3.153 20 0 FGADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@H](CO)c1cccc(C(F)(F)F)c1 ZINC000635006243 717139555 /nfs/dbraw/zinc/13/95/55/717139555.db2.gz XXXFAVWYHSLTOW-YVEFUNNKSA-N 2 0 353.388 3.252 20 0 FGADRP Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@H]2[NH2+][C@H]2CC[C@H](C[NH3+])CC2)cc1 ZINC000635006490 717139625 /nfs/dbraw/zinc/13/96/25/717139625.db2.gz RPBYUGATAKHZLA-HNBVOPMISA-N 2 0 364.555 3.187 20 0 FGADRP C[N@@H+]1CC[C@@H](CC(=O)Nc2cc(Cl)ccc2OC2CC[NH+](C)CC2)C1 ZINC000636006250 717222160 /nfs/dbraw/zinc/22/21/60/717222160.db2.gz XPTQIMWFNQTSHK-AWEZNQCLSA-N 2 0 365.905 3.093 20 0 FGADRP COCCSc1ccc([C@@H](C)[NH2+]C2CC[NH+](CC(C)(C)O)CC2)cc1 ZINC000638537458 717456356 /nfs/dbraw/zinc/45/63/56/717456356.db2.gz FYFMSPQTDFBEJI-MRXNPFEDSA-N 2 0 366.571 3.311 20 0 FGADRP C[NH+](C)C[C@@H](NC(=O)CC1CC[NH2+]CC1)c1ccc(Cl)c(Cl)c1 ZINC000638665036 717473894 /nfs/dbraw/zinc/47/38/94/717473894.db2.gz YDYQMGIPZZXYIL-MRXNPFEDSA-N 2 0 358.313 3.102 20 0 FGADRP C[C@H]1OCC[C@H]1C[N@@H+]1CCC[C@@]2(CCC[NH+](C[C@H]3CCO[C@H]3C)C2)C1 ZINC000639646330 717584416 /nfs/dbraw/zinc/58/44/16/717584416.db2.gz ORPQOAAEILWMCP-XDWAVFMPSA-N 2 0 350.547 3.014 20 0 FGADRP C[N@H+](CCCC[NH+]1CCCCC1)C[C@H]1CCCN(C(=O)C(C)(C)C)C1 ZINC000640534320 717761021 /nfs/dbraw/zinc/76/10/21/717761021.db2.gz PNBLDFWCVRHKRR-LJQANCHMSA-N 2 0 351.579 3.469 20 0 FGADRP C[NH+]1CCC(C[NH2+]Cc2cccc(O)c2Cl)(N2CCCCC2)CC1 ZINC000645159881 718188055 /nfs/dbraw/zinc/18/80/55/718188055.db2.gz QOYZIADMISJNGR-UHFFFAOYSA-N 2 0 351.922 3.086 20 0 FGADRP CC[C@@H](C)Oc1cc(C[NH+]2CCC(OCCC[NH3+])CC2)ccc1OC ZINC000647506576 718364340 /nfs/dbraw/zinc/36/43/40/718364340.db2.gz SWSKVMIJJRKTHR-MRXNPFEDSA-N 2 0 350.503 3.202 20 0 FGADRP C[C@H](C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)Oc1cccc(Br)c1 ZINC000647788564 718377797 /nfs/dbraw/zinc/37/77/97/718377797.db2.gz MCYYJYQWCREEAT-HGTKMLMNSA-N 2 0 353.304 3.194 20 0 FGADRP C[C@H](C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)Oc1ccc(Br)cc1 ZINC000647788745 718377810 /nfs/dbraw/zinc/37/78/10/718377810.db2.gz PPQIWCXJEJAVKE-ORIJERBGSA-N 2 0 353.304 3.194 20 0 FGADRP Clc1cccc(-c2noc(CC[NH+]3CCC([C@@H]4CC[NH2+]C4)CC3)n2)c1 ZINC000647970021 718390657 /nfs/dbraw/zinc/39/06/57/718390657.db2.gz SSFHMXGMRXWSQB-MRXNPFEDSA-N 2 0 360.889 3.254 20 0 FGADRP C[NH+](C)CCCN(CCC[NH+](C)C)Cc1cc2cc(Cl)cnc2o1 ZINC000648585341 718438027 /nfs/dbraw/zinc/43/80/27/718438027.db2.gz WKHRHGRMVIJIHR-UHFFFAOYSA-N 2 0 352.910 3.187 20 0 FGADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@H+](Cc3cccc(Br)c3)C2)C1 ZINC000650705610 718716783 /nfs/dbraw/zinc/71/67/83/718716783.db2.gz NSDQFDOPHYXUJQ-UAGQMJEPSA-N 2 0 353.304 3.167 20 0 FGADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@H+](Cc3ccc(OCC(F)F)cc3)C2)C1 ZINC000650706090 718717101 /nfs/dbraw/zinc/71/71/01/718717101.db2.gz CYPJWLKNUDHWSB-LZLYRXPVSA-N 2 0 354.441 3.049 20 0 FGADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@H+](Cc3cccc(OC(F)(F)F)c3)C2)C1 ZINC000650707013 718717744 /nfs/dbraw/zinc/71/77/44/718717744.db2.gz WYIDOZSKZYVYJM-ZMSDIMECSA-N 2 0 358.404 3.304 20 0 FGADRP CC(=O)N(c1nc(C[NH2+]CCC2(C[NH3+])CC2)cs1)c1ccc(C)cc1 ZINC000650713440 718718634 /nfs/dbraw/zinc/71/86/34/718718634.db2.gz SNFSTTFOELIRQB-UHFFFAOYSA-N 2 0 358.511 3.355 20 0 FGADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@@H+]2Cc2cc(Cl)cc3c2OCC3)C1 ZINC000650723725 718721171 /nfs/dbraw/zinc/72/11/71/718721171.db2.gz SJEHPAMWESFKBN-FGTMMUONSA-N 2 0 350.890 3.136 20 0 FGADRP C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]CCC1CC[NH2+]CC1 ZINC000650763672 718725185 /nfs/dbraw/zinc/72/51/85/718725185.db2.gz GWWZSXGWIMKNEA-ZDUSSCGKSA-N 2 0 357.420 3.402 20 0 FGADRP CCC[NH+]1CCC(NC(=O)NCCC[N@H+](CC)C2CCCCC2)CC1 ZINC000650926721 718745289 /nfs/dbraw/zinc/74/52/89/718745289.db2.gz RHRWMAVRLNHLAW-UHFFFAOYSA-N 2 0 352.567 3.205 20 0 FGADRP CC[N@H+](CCCNC(=O)N(C)CC1CC[NH+](C)CC1)C1CCCCC1 ZINC000651220342 718784336 /nfs/dbraw/zinc/78/43/36/718784336.db2.gz BSCPEVFPARSFCN-UHFFFAOYSA-N 2 0 352.567 3.014 20 0 FGADRP C[C@@H]([NH3+])[C@@H]1CCN(C(=O)Nc2ccc(SCC[NH+]3CCCC3)cc2)C1 ZINC000652613061 718965822 /nfs/dbraw/zinc/96/58/22/718965822.db2.gz IYCMJCJLIFMNLK-HZPDHXFCSA-N 2 0 362.543 3.076 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)[C@@H]1CCC[NH2+]CC1)c1ccccc1Cl ZINC000653105847 719013038 /nfs/dbraw/zinc/01/30/38/719013038.db2.gz LXTOPPOUMBOWTM-QAPCUYQASA-N 2 0 351.922 3.229 20 0 FGADRP c1ccc([C@H]2C[NH2+]C[C@]23CCN(c2ncccc2C[NH+]2CCCC2)C3)cc1 ZINC001164619299 719049177 /nfs/dbraw/zinc/04/91/77/719049177.db2.gz CLDHQQCPGGRZIT-GGAORHGYSA-N 2 0 362.521 3.261 20 0 FGADRP CCO[C@@H](CC[NH+](C)C)C[NH2+]Cc1cn(-c2ccccc2Cl)nc1C ZINC000655745840 719334033 /nfs/dbraw/zinc/33/40/33/719334033.db2.gz GFTHTNDDAHZSEM-KRWDZBQOSA-N 2 0 364.921 3.281 20 0 FGADRP C[NH+]1CCN(C[C@@H]([NH2+]CCc2ccc(Cl)cc2)c2ccccc2)CC1 ZINC000656465467 719394590 /nfs/dbraw/zinc/39/45/90/719394590.db2.gz YOBWUZKNLTYQQR-OAQYLSRUSA-N 2 0 357.929 3.461 20 0 FGADRP Fc1cc2c(c(F)c1)CC[C@@H]2[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000656678466 719440782 /nfs/dbraw/zinc/44/07/82/719440782.db2.gz TWKASSHTJKVSJQ-FQEVSTJZSA-N 2 0 350.453 3.433 20 0 FGADRP Oc1ccc(Br)c(C[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)c1 ZINC000656784777 719471202 /nfs/dbraw/zinc/47/12/02/719471202.db2.gz HEGVQEOBAJQPED-CQSZACIVSA-N 2 0 353.304 3.366 20 0 FGADRP CC[NH+]1CCN([C@@H](C)C[NH2+]Cc2ccc(-c3scnc3C)cc2)CC1 ZINC000657310847 719623271 /nfs/dbraw/zinc/62/32/71/719623271.db2.gz PHDZHHAGXZVKMT-INIZCTEOSA-N 2 0 358.555 3.234 20 0 FGADRP Cc1ncsc1-c1ccc(C[NH2+]C[C@@H](C)CN2CC[NH+](C)CC2)cc1 ZINC000657346007 719630220 /nfs/dbraw/zinc/63/02/20/719630220.db2.gz CPKCFWCOSHHFFY-MRXNPFEDSA-N 2 0 358.555 3.092 20 0 FGADRP NC(=O)[C@H]1CCC[N@H+](CCC[NH2+]Cc2ccc(-c3cccs3)cc2)C1 ZINC000657349083 719631236 /nfs/dbraw/zinc/63/12/36/719631236.db2.gz ADFPLCKDEBSGKZ-SFHVURJKSA-N 2 0 357.523 3.092 20 0 FGADRP C[NH+]1CCC(C[NH2+]Cc2ccc(F)c(F)c2F)(N2CCCCC2)CC1 ZINC000657376878 719635442 /nfs/dbraw/zinc/63/54/42/719635442.db2.gz LATFMAYFQGGKEW-UHFFFAOYSA-N 2 0 355.448 3.144 20 0 FGADRP COCc1csc(C[NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)c1 ZINC000657390124 719638768 /nfs/dbraw/zinc/63/87/68/719638768.db2.gz UAGJFIVYVBVNQR-UHFFFAOYSA-N 2 0 360.523 3.141 20 0 FGADRP CC(C)[N@H+](C)Cc1nn(C(C)(C)c2ccnc(Cl)c2)c2c1CC[NH2+]C2 ZINC001164680296 719652915 /nfs/dbraw/zinc/65/29/15/719652915.db2.gz FDWXCJFRECKRIW-UHFFFAOYSA-N 2 0 361.921 3.201 20 0 FGADRP C[NH+]1CCN(c2cccc(Cl)c2CNC[C@@H]2CC[N@@H+]2C(C)(C)C)CC1 ZINC000657525798 719665779 /nfs/dbraw/zinc/66/57/79/719665779.db2.gz WBLJRICFLMKLEM-INIZCTEOSA-N 2 0 364.965 3.054 20 0 FGADRP c1cc(C[NH+]2CCC(C[NH2+]Cc3nc4c(s3)CCCC4)CC2)ccn1 ZINC000657612633 719682756 /nfs/dbraw/zinc/68/27/56/719682756.db2.gz BWKHJGIPYRCSPB-UHFFFAOYSA-N 2 0 356.539 3.419 20 0 FGADRP Oc1cccc(C[NH2+]CC2CC[NH+](CC3CC3)CC2)c1Br ZINC000657814743 719716078 /nfs/dbraw/zinc/71/60/78/719716078.db2.gz LLOFVNITQCMTFN-UHFFFAOYSA-N 2 0 353.304 3.366 20 0 FGADRP COc1cc[nH+]c(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)c1 ZINC001164698329 719886866 /nfs/dbraw/zinc/88/68/66/719886866.db2.gz FMKZVCNAQDDKQZ-UHFFFAOYSA-N 2 0 359.495 3.023 20 0 FGADRP CC1CC[NH+]([C@@H](CNC(=O)NCC2([NH3+])CCCC2)c2cccs2)CC1 ZINC000659427663 719912766 /nfs/dbraw/zinc/91/27/66/719912766.db2.gz QUWFBTIJGQJIOZ-INIZCTEOSA-N 2 0 364.559 3.092 20 0 FGADRP C[C@@H]1C[N@H+](CCSc2cccc(Cl)c2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000660153732 719998258 /nfs/dbraw/zinc/99/82/58/719998258.db2.gz HEMAKDPUEBPUKJ-VQIMIIECSA-N 2 0 367.990 3.390 20 0 FGADRP CC(C)[NH+]1CCN(CCC[NH2+][C@H](CO)c2cccc(Cl)c2Cl)CC1 ZINC000662052533 720365993 /nfs/dbraw/zinc/36/59/93/720365993.db2.gz RZYCUGQYONHHOP-QGZVFWFLSA-N 2 0 374.356 3.033 20 0 FGADRP Brc1ccccc1C1CC[NH+](C[C@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662278825 720408624 /nfs/dbraw/zinc/40/86/24/720408624.db2.gz BETDBTLWKWWLNC-OAHLLOKOSA-N 2 0 365.315 3.150 20 0 FGADRP Brc1ccc([C@@H]([NH2+]C[C@H]2CCC3(C[NH2+]C3)O2)C2CCC2)cc1 ZINC000662280066 720409099 /nfs/dbraw/zinc/40/90/99/720409099.db2.gz CAMVVPALJBFGMZ-SJORKVTESA-N 2 0 365.315 3.401 20 0 FGADRP CSc1ccccc1NC(=O)[C@H](C)[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662299073 720412101 /nfs/dbraw/zinc/41/21/01/720412101.db2.gz ZKKSTISWXRLTQL-RDJZCZTQSA-N 2 0 361.555 3.447 20 0 FGADRP O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)c1cc2c(s1)CC[NH2+]C2 ZINC000662348979 720417799 /nfs/dbraw/zinc/41/77/99/720417799.db2.gz VYJQVYPDFXCIMW-AWEZNQCLSA-N 2 0 361.536 3.022 20 0 FGADRP CC[C@@H]([NH2+]C)C(=O)NC[C@@H](c1ccc(C(F)(F)F)cc1)[NH+](CC)CC ZINC000662412044 720426172 /nfs/dbraw/zinc/42/61/72/720426172.db2.gz HIAZUQSEMQQSAW-CVEARBPZSA-N 2 0 359.436 3.203 20 0 FGADRP CC[NH+](CC)CCN(Cc1cccs1)C(=O)c1cccc2c1C[NH2+]C2 ZINC000662499429 720435353 /nfs/dbraw/zinc/43/53/53/720435353.db2.gz BBFLGUYLAYMOES-UHFFFAOYSA-N 2 0 357.523 3.336 20 0 FGADRP C[NH+](C)C[C@H](NC(=O)c1cccc2c1CC[NH2+]C2)c1ccc(Cl)cc1 ZINC000662792114 720458234 /nfs/dbraw/zinc/45/82/34/720458234.db2.gz OXEUYPQIDVEBJU-IBGZPJMESA-N 2 0 357.885 3.018 20 0 FGADRP C[N@H+](Cc1ccc(N([C@@H]2COC3(C2)CC[NH2+]CC3)C(C)(C)C)nc1)C1CC1 ZINC001164733989 720546592 /nfs/dbraw/zinc/54/65/92/720546592.db2.gz FKXVKFYSHZPOND-IBGZPJMESA-N 2 0 372.557 3.192 20 0 FGADRP C[NH2+]CCCC(=O)N1CCC([NH2+][C@@H](c2ccc(Cl)cc2)C2CC2)CC1 ZINC000665287739 720750446 /nfs/dbraw/zinc/75/04/46/720750446.db2.gz STVONDZVOFNMBS-HXUWFJFHSA-N 2 0 363.933 3.371 20 0 FGADRP C[NH2+]CCCC(=O)N1CCC([NH2+][C@H](C)[C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000665288912 720750485 /nfs/dbraw/zinc/75/04/85/720750485.db2.gz AQAUFFNCZTVWML-HZPDHXFCSA-N 2 0 365.949 3.412 20 0 FGADRP CCCC[N@H+](C)CC1CCN(C(=O)NC[C@H]2CC[NH+]2C(C)(C)C)CC1 ZINC000665366968 720760668 /nfs/dbraw/zinc/76/06/68/720760668.db2.gz MLFNTKHLUKIDRF-GOSISDBHSA-N 2 0 352.567 3.013 20 0 FGADRP CC(C)[N@H+](C)Cc1cnc2n1CCN(c1cc(N3CCCC3)cc[nH+]1)[C@@H]2C ZINC001164856279 720979450 /nfs/dbraw/zinc/97/94/50/720979450.db2.gz AOKNKZGKPRKPGZ-QGZVFWFLSA-N 2 0 368.529 3.300 20 0 FGADRP Cc1[nH+]c(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)cc2[nH]ccc21 ZINC001164904649 721549179 /nfs/dbraw/zinc/54/91/79/721549179.db2.gz FWZLGJFUFCBRKZ-AEFFLSMTSA-N 2 0 366.440 3.352 20 0 FGADRP C[C@@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)c1ccccc1OC(F)(F)F ZINC000675743103 721771747 /nfs/dbraw/zinc/77/17/47/721771747.db2.gz ZMCFRQJRHTZLHP-CQSZACIVSA-N 2 0 359.436 3.262 20 0 FGADRP CC[C@H](Cc1cccs1)[NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000678591532 721965948 /nfs/dbraw/zinc/96/59/48/721965948.db2.gz QFNGTLJUODKRIS-GOSISDBHSA-N 2 0 359.539 3.150 20 0 FGADRP C[N@@H+]1CCCC[C@H](C[NH2+][C@@H]2CCCC[C@@H]2CNC(=O)OC(C)(C)C)C1 ZINC000700802403 722409861 /nfs/dbraw/zinc/40/98/61/722409861.db2.gz IQTKMHWHKGWSQB-KZNAEPCWSA-N 2 0 353.551 3.391 20 0 FGADRP CC(C)(C)OC(=O)N1CCC(CC[NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000702610349 722410650 /nfs/dbraw/zinc/41/06/50/722410650.db2.gz HUUHYUDNAIENJM-MSOLQXFVSA-N 2 0 351.535 3.240 20 0 FGADRP C[C@H](NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1csc2ccccc21 ZINC000741086633 722542477 /nfs/dbraw/zinc/54/24/77/722542477.db2.gz JHBZEAQCUZTSGR-HNNXBMFYSA-N 2 0 362.543 3.097 20 0 FGADRP CN(C)[C@]1(C[NH2+]CCC2CCN(C(=O)OC(C)(C)C)CC2)CCSC1 ZINC000748244506 722681522 /nfs/dbraw/zinc/68/15/22/722681522.db2.gz MPRCFXSYXMTGRU-IBGZPJMESA-N 2 0 371.591 3.051 20 0 FGADRP C/C(=C/c1ccccc1Cl)C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000755902711 722958229 /nfs/dbraw/zinc/95/82/29/722958229.db2.gz IKEGVBHOQHKGDM-MSUUIHNZSA-N 2 0 365.949 3.475 20 0 FGADRP CCC[NH+]1CCC([NH2+]CCC2=CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000793331920 723425788 /nfs/dbraw/zinc/42/57/88/723425788.db2.gz YARAVWKUKQUCGV-UHFFFAOYSA-N 2 0 351.535 3.408 20 0 FGADRP C[C@H]([NH2+]CCC1CC[NH+](C)CC1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000765779687 723540117 /nfs/dbraw/zinc/54/01/17/723540117.db2.gz ZDTULTTZPNJWGL-ZDUSSCGKSA-N 2 0 360.470 3.065 20 0 FGADRP C[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)Oc1cccc(Br)c1 ZINC000774208872 723869835 /nfs/dbraw/zinc/86/98/35/723869835.db2.gz KLUCVCIBARLANF-OHRKKDJYSA-N 2 0 353.304 3.431 20 0 FGADRP C[N@H+](CC[C@@H]1CCCC[NH+]1C)C[C@]1(C)CCN(C(=O)OC(C)(C)C)C1 ZINC000798944837 723977396 /nfs/dbraw/zinc/97/73/96/723977396.db2.gz DIPOIAZLNICHQQ-PXNSSMCTSA-N 2 0 353.551 3.440 20 0 FGADRP CC(C)(C)OC(=O)N1CC[C@](C)(C[NH2+]CC2CC[NH+](C3CC3)CC2)C1 ZINC000798953376 723978837 /nfs/dbraw/zinc/97/88/37/723978837.db2.gz GCWSHDSWKCRMEP-HXUWFJFHSA-N 2 0 351.535 3.098 20 0 FGADRP CC(C)[NH2+]C1CC[NH+](CC[C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000801932306 724347669 /nfs/dbraw/zinc/34/76/69/724347669.db2.gz KDKGDOSKCMSQCG-QGZVFWFLSA-N 2 0 353.551 3.486 20 0 FGADRP C[C@H](CNC(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)cc1)[NH+]1CCCCC1 ZINC000802012049 724353808 /nfs/dbraw/zinc/35/38/08/724353808.db2.gz HQGLEZWDWRSPTC-QAPCUYQASA-N 2 0 366.937 3.116 20 0 FGADRP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+][C@H](C)C2CN(C(=O)OC(C)(C)C)C2)C1 ZINC000788671636 725080289 /nfs/dbraw/zinc/08/02/89/725080289.db2.gz MYSPBFHUYYLDSY-SJORKVTESA-N 2 0 353.551 3.199 20 0 FGADRP CN(C)c1cc(Cl)cc(Cl)c1C[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000810142541 725292356 /nfs/dbraw/zinc/29/23/56/725292356.db2.gz LKKISTDHIVYUDS-UHFFFAOYSA-N 2 0 373.372 3.177 20 0 FGADRP C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1[NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000812720389 726806613 /nfs/dbraw/zinc/80/66/13/726806613.db2.gz FAOIPAFPKQAFIT-TVFCKZIOSA-N 2 0 353.551 3.484 20 0 FGADRP C[C@@H]([NH2+]C[C@H]1CC[C@H](C[NH3+])CC1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000817975124 727290129 /nfs/dbraw/zinc/29/01/29/727290129.db2.gz JBLYJHVNLBCUQE-MGPQQGTHSA-N 2 0 360.470 3.099 20 0 FGADRP CCC[N@@H+]1CC[C@H](C[NH2+]C[C@](C)(O)c2ccc(Br)cc2F)C1 ZINC000818981488 727333983 /nfs/dbraw/zinc/33/39/83/727333983.db2.gz VGXYKJGWYRNLLB-DYVFJYSZSA-N 2 0 373.310 3.117 20 0 FGADRP C[C@@H](CC[NH+](C)C)[NH2+]C[C@](C)(O)c1ccc(Br)cc1Cl ZINC000819061127 727343284 /nfs/dbraw/zinc/34/32/84/727343284.db2.gz SGCBXZNPXISWLY-NHYWBVRUSA-N 2 0 363.727 3.240 20 0 FGADRP CSC1(C[NH2+]C[C@@H](O)c2ccccc2C(F)(F)F)CC[NH+](C)CC1 ZINC000819321775 727367009 /nfs/dbraw/zinc/36/70/09/727367009.db2.gz NAJFRMSSDBGMGZ-OAHLLOKOSA-N 2 0 362.461 3.156 20 0 FGADRP CC(C)[C@H](CNC(=O)OC(C)(C)C)C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000823489255 729284810 /nfs/dbraw/zinc/28/48/10/729284810.db2.gz CNMGTRYOGRIFDP-KSZLIROESA-N 2 0 353.551 3.199 20 0 FGADRP C[C@@H]1C[C@H](C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)CCN1C(=O)OC(C)(C)C ZINC000823650045 729295898 /nfs/dbraw/zinc/29/58/98/729295898.db2.gz ZUWDLWYWLVGIJQ-ZACQAIPSSA-N 2 0 351.535 3.096 20 0 FGADRP CC[NH+](CC)CC1CCN(C(=O)C[C@H]([NH3+])c2cc(C)nc(Cl)c2)CC1 ZINC000830355265 729551940 /nfs/dbraw/zinc/55/19/40/729551940.db2.gz FIFUAABGFRPHSY-KRWDZBQOSA-N 2 0 366.937 3.014 20 0 FGADRP C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)NCCCCCC[NH3+])CC1 ZINC000831267012 729629076 /nfs/dbraw/zinc/62/90/76/729629076.db2.gz GWEHQVUZURVBSI-SFHVURJKSA-N 2 0 352.567 3.192 20 0 FGADRP CC[NH+](CC)CCC[C@H](C)NC(=O)C[C@H]([NH3+])c1cc(C)nc(Cl)c1 ZINC000831769625 729666633 /nfs/dbraw/zinc/66/66/33/729666633.db2.gz UEKQBQYYKANYMR-BBRMVZONSA-N 2 0 354.926 3.060 20 0 FGADRP C[C@H]([NH2+]CCCC[N@H+](C)C1CC1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000834911621 729845920 /nfs/dbraw/zinc/84/59/20/729845920.db2.gz ZOIRTOWCZFQRAQ-ZDUSSCGKSA-N 2 0 360.470 3.208 20 0 FGADRP COc1sc(C[NH2+]Cc2ccc(CC[NH3+])cc2)cc1Br ZINC000841032133 730204900 /nfs/dbraw/zinc/20/49/00/730204900.db2.gz MJEMRNXTHNJMKS-UHFFFAOYSA-N 2 0 355.301 3.310 20 0 FGADRP CCOC(=O)C(F)(F)[C@@H]1CCC[C@H]([NH2+]Cc2ccc(CC[NH3+])cc2)C1 ZINC000841034355 730205094 /nfs/dbraw/zinc/20/50/94/730205094.db2.gz XIXJZIBKFDLFEO-SJORKVTESA-N 2 0 354.441 3.035 20 0 FGADRP [NH3+]C1C[C@H]2CCC[C@@H](C1)N2CCC(=O)Nc1ccc(Br)cc1 ZINC000843360342 730610480 /nfs/dbraw/zinc/61/04/80/730610480.db2.gz QTTTWWVMLOYIPB-VHRNVKJDSA-N 2 0 366.303 3.122 20 0 FGADRP C[N@@H+]1CCC[C@@]2(CC[NH+](CCCCCCNC(=O)OC(C)(C)C)C2)C1 ZINC000844331906 730704420 /nfs/dbraw/zinc/70/44/20/730704420.db2.gz MBVGNTKYYKIWEJ-HXUWFJFHSA-N 2 0 353.551 3.489 20 0 FGADRP CCOC(=O)C(F)(F)[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(C[NH3+])cc2F)C1 ZINC000844904629 730787274 /nfs/dbraw/zinc/78/72/74/730787274.db2.gz AHSDZYXVDLZNKF-HUUCEWRRSA-N 2 0 358.404 3.131 20 0 FGADRP CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]([NH2+]C2CC([NH+]3CCCCC3)C2)C1 ZINC000848549935 731179718 /nfs/dbraw/zinc/17/97/18/731179718.db2.gz YBMMCHQIPRNCRC-KNXWPPODSA-N 2 0 351.535 3.429 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(-c2csc(C)n2)s1 ZINC000849055855 731224552 /nfs/dbraw/zinc/22/45/52/731224552.db2.gz HIEMGAHXOIPYHS-CYBMUJFWSA-N 2 0 363.556 3.278 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCCCOc1ccc(Cl)cc1 ZINC000849055010 731224597 /nfs/dbraw/zinc/22/45/97/731224597.db2.gz OTLVJPUXKUKPOW-MRXNPFEDSA-N 2 0 352.910 3.097 20 0 FGADRP C[C@H](NC(=[NH2+])NCCCN(C)CC[NH+](C)C)c1ccc(Cl)cc1Cl ZINC000849079350 731226687 /nfs/dbraw/zinc/22/66/87/731226687.db2.gz JMWIPEOHIVDAED-ZDUSSCGKSA-N 2 0 374.360 3.052 20 0 FGADRP Brc1cscc1C[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000850344785 731345107 /nfs/dbraw/zinc/34/51/07/731345107.db2.gz WGXIDAIERGXWIS-UHFFFAOYSA-N 2 0 373.360 3.491 20 0 FGADRP CCOC(=O)C(F)(F)[C@H]1CC[C@H]([NH2+]CC2CC[NH+](CC3CC3)CC2)C1 ZINC000850580757 731375845 /nfs/dbraw/zinc/37/58/45/731375845.db2.gz AWWBMMDSLCYIRO-IRXDYDNUSA-N 2 0 358.473 3.065 20 0 FGADRP Cc1nn(CC(C)C)c(Cl)c1[C@H]1CCC[N@@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000852745976 731629547 /nfs/dbraw/zinc/62/95/47/731629547.db2.gz FYHAFPCQULJWMP-HZPDHXFCSA-N 2 0 366.937 3.159 20 0 FGADRP Cc1cc(C[NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)c(Br)cc1F ZINC000858133270 732183914 /nfs/dbraw/zinc/18/39/14/732183914.db2.gz MSMYVIXUMGCBIR-OAHLLOKOSA-N 2 0 373.310 3.223 20 0 FGADRP C[N@@H+]1CC[C@H]([NH2+][C@H]2CC23CCN(C(=O)OC(C)(C)C)CC3)CC1(C)C ZINC000858168191 732188370 /nfs/dbraw/zinc/18/83/70/732188370.db2.gz GSNYAGMGSNMVPA-HOTGVXAUSA-N 2 0 351.535 3.238 20 0 FGADRP C[N@@H+]1CC[C@@H]([NH2+][C@H]2CC23CCN(C(=O)OC(C)(C)C)CC3)CC1(C)C ZINC000858168190 732188455 /nfs/dbraw/zinc/18/84/55/732188455.db2.gz GSNYAGMGSNMVPA-CVEARBPZSA-N 2 0 351.535 3.238 20 0 FGADRP C[C@@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000858492102 732220271 /nfs/dbraw/zinc/22/02/71/732220271.db2.gz SZKMREOUBPMTTN-KZNAEPCWSA-N 2 0 353.551 3.486 20 0 FGADRP C[C@H](O)C[C@@H]1CCC[NH+]1CC[Si](C)(C)CC[N@H+]1CCC[C@H]1C[C@H](C)O ZINC000859205135 732289698 /nfs/dbraw/zinc/28/96/98/732289698.db2.gz VQBMZFAYDNPYBE-MUGJNUQGSA-N 2 0 370.654 3.165 20 0 FGADRP C[NH+](C)CC1CCC([NH2+]C[C@@H](CC(F)F)NC(=O)OC(C)(C)C)CC1 ZINC000865508273 733216011 /nfs/dbraw/zinc/21/60/11/733216011.db2.gz HCASIVXVAIIBSQ-YMAMQOFZSA-N 2 0 363.493 3.245 20 0 FGADRP C[C@@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000865819079 733275245 /nfs/dbraw/zinc/27/52/45/733275245.db2.gz BCYNYZHGTIVKPN-NXHRZFHOSA-N 2 0 351.535 3.238 20 0 FGADRP C[C@H](C[NH2+][C@H](C)c1cc2c(ccnc2Cl)o1)CN1CC[NH+](C)CC1 ZINC000866260598 733330565 /nfs/dbraw/zinc/33/05/65/733330565.db2.gz VSUFXAMVQWNHJL-ZIAGYGMSSA-N 2 0 350.894 3.015 20 0 FGADRP C[C@H](c1ccc(OC(F)F)cc1)[NH+]1CCC(N2CC[NH+](C)CC2)CC1 ZINC000866589115 733370545 /nfs/dbraw/zinc/37/05/45/733370545.db2.gz DDPNJUNWYZNAIQ-OAHLLOKOSA-N 2 0 353.457 3.061 20 0 FGADRP Cc1cc([C@@H]([NH3+])CC(=O)N2c3ccccc3[C@H]([NH3+])C2(C)C)cc(Cl)n1 ZINC000867988504 733542980 /nfs/dbraw/zinc/54/29/80/733542980.db2.gz NEKWLPUYYJOPHS-KSSFIOAISA-N 2 0 358.873 3.259 20 0 FGADRP [NH3+][C@H](C[C@@H]1CCC[N@H+](C[C@H]2CC3(CO2)CCOCC3)C1)C1CCCC1 ZINC000872157708 735596852 /nfs/dbraw/zinc/59/68/52/735596852.db2.gz PUXNJXAWCHRGSE-DFQSSKMNSA-N 2 0 350.547 3.192 20 0 FGADRP C[C@@H]([NH2+][C@@H](C)CC(=O)Nc1cccc(Br)c1)C1CC[NH2+]CC1 ZINC000873219993 735739273 /nfs/dbraw/zinc/73/92/73/735739273.db2.gz FFSCWGXKDQEDLP-QWHCGFSZSA-N 2 0 368.319 3.144 20 0 FGADRP COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+][C@H](C)C1CC[NH2+]CC1 ZINC000873220320 735739500 /nfs/dbraw/zinc/73/95/00/735739500.db2.gz JLFVJCWFIQATKR-QWHCGFSZSA-N 2 0 353.894 3.043 20 0 FGADRP C[C@@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000873259635 735744392 /nfs/dbraw/zinc/74/43/92/735744392.db2.gz IQRWZTSPMLLZMW-ONIAQPFYSA-N 2 0 363.933 3.197 20 0 FGADRP C[C@H]([NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2)c1ccccc1Br ZINC000873289497 735746685 /nfs/dbraw/zinc/74/66/85/735746685.db2.gz ISSKEESKRHVWNB-UONOGXRCSA-N 2 0 353.304 3.258 20 0 FGADRP C[NH+](C)CCCC[NH2+][C@@H]1CC[C@@H]2[C@@H](CCCN2C(=O)OC(C)(C)C)C1 ZINC000876989409 736171229 /nfs/dbraw/zinc/17/12/29/736171229.db2.gz YDBWJLZYECIIQJ-RCCFBDPRSA-N 2 0 353.551 3.486 20 0 FGADRP C[C@@]([NH3+])(C(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1)c1ccc(Br)cc1 ZINC000877137435 736191888 /nfs/dbraw/zinc/19/18/88/736191888.db2.gz WACUOQAICAWSER-JZXOWHBKSA-N 2 0 374.282 3.076 20 0 FGADRP C[N@H+](CCCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)OC(C)(C)C)C2)C1CC1 ZINC000877577440 736687543 /nfs/dbraw/zinc/68/75/43/736687543.db2.gz CTNLRFWSZXIEIM-JZXOWHBKSA-N 2 0 351.535 3.238 20 0 FGADRP C[NH+]1CCN(C2CC[NH+](Cc3cc4nc(Cl)ccc4s3)CC2)CC1 ZINC000877746548 736713285 /nfs/dbraw/zinc/71/32/85/736713285.db2.gz DSVPGZALQVDURD-UHFFFAOYSA-N 2 0 364.946 3.162 20 0 FGADRP CN1CCC([NH+]2CCC(CC[N@H+](C)CCSC(F)(F)F)CC2)CC1 ZINC000886036028 739211031 /nfs/dbraw/zinc/21/10/31/739211031.db2.gz SHJSVSYAZDVCLI-UHFFFAOYSA-N 2 0 367.525 3.368 20 0 FGADRP COC(=O)c1cnc([C@H](C)[NH2+]C2CCC(C)([NH+]3CCCC3)CC2)s1 ZINC000886629706 739276974 /nfs/dbraw/zinc/27/69/74/739276974.db2.gz LUXPSPBGXWPNDP-VNSJNIRKSA-N 2 0 351.516 3.377 20 0 FGADRP O[C@H]1CCC[C@H]1[NH+]1CCC([NH2+]Cc2cc3ccnc(Cl)c3s2)CC1 ZINC000894331079 742268875 /nfs/dbraw/zinc/26/88/75/742268875.db2.gz AKRVENPARJGADE-CVEARBPZSA-N 2 0 365.930 3.417 20 0 FGADRP CC(=O)Nc1cc(Br)ccc1C[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000894861630 742344042 /nfs/dbraw/zinc/34/40/42/742344042.db2.gz XAGPXFOHNLGPPJ-AWEZNQCLSA-N 2 0 368.319 3.229 20 0 FGADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CC1(OCCO)CCC(C(F)F)CC1 ZINC000902434973 743743601 /nfs/dbraw/zinc/74/36/01/743743601.db2.gz QVQXOQZMASTPLW-XNGIKWSVSA-N 2 0 362.505 3.090 20 0 FGADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@H+](C[C@@H]3[C@@H](c4ccccc4)C3(F)F)C2)C1 ZINC000903461443 743853149 /nfs/dbraw/zinc/85/31/49/743853149.db2.gz UHLBVQOIUZRICH-FVVUREQNSA-N 2 0 350.453 3.254 20 0 FGADRP FC(F)Oc1ccc([C@H]2C[N@H+](CC3C[C@H]4CC[C@@H](C3)[NH2+]4)CCO2)cc1 ZINC000903904452 743894978 /nfs/dbraw/zinc/89/49/78/743894978.db2.gz VOABSZIKUDFKDT-NPVYPNSJSA-N 2 0 352.425 3.192 20 0 FGADRP CCC[C@H]([NH2+]C[C@H](C[NH3+])Cc1cnn(C)c1C)c1ccc(F)cc1F ZINC000903923000 743897757 /nfs/dbraw/zinc/89/77/57/743897757.db2.gz JCAWCXUCHYOJNJ-LIRRHRJNSA-N 2 0 350.457 3.255 20 0 FGADRP C[C@@H](C[NH2+]Cc1cnnn1[C@H]1CCC[NH2+]C1)c1c(Cl)cccc1Cl ZINC000903924464 743898117 /nfs/dbraw/zinc/89/81/17/743898117.db2.gz DHEVEIBCHOJRER-STQMWFEESA-N 2 0 368.312 3.403 20 0 FGADRP Cc1ccc(-c2ncc(C[NH+]3CCC4(CO[C@H](C[NH3+])C4)CC3)s2)cc1 ZINC000904392730 743951478 /nfs/dbraw/zinc/95/14/78/743951478.db2.gz YNFXYVMSBZGOKJ-KRWDZBQOSA-N 2 0 357.523 3.448 20 0 FGADRP C[C@@](O)(C[NH2+]C1CC[NH+](C2CCCCC2)CC1)C(F)(F)C(F)(F)F ZINC000905147080 743995987 /nfs/dbraw/zinc/99/59/87/743995987.db2.gz PZIJOXHAODEPOP-CQSZACIVSA-N 2 0 358.395 3.322 20 0 FGADRP CC1([NH+]2CCC2)CCC([NH2+]C[C@@H](O)c2ccc(Br)cc2)CC1 ZINC000905603373 744035626 /nfs/dbraw/zinc/03/56/26/744035626.db2.gz ZLJLKZLWNWWTLB-LXPRWKDFSA-N 2 0 367.331 3.479 20 0 FGADRP CC(C)[C@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1ncc(C(C)(C)C)s1)C2 ZINC000922391098 758911647 /nfs/dbraw/zinc/91/16/47/758911647.db2.gz RZQKONQSBZDYRO-BCXHYRKLSA-N 2 0 351.560 3.010 20 0 FGADRP COc1cccc(-c2nc(C[N@@H+]3CC[C@@H](C[NH3+])[C@@H](C)C3)cs2)c1OC ZINC000923498493 759132303 /nfs/dbraw/zinc/13/23/03/759132303.db2.gz PVSXTJMVQMLPJD-KBPBESRZSA-N 2 0 361.511 3.244 20 0 FGADRP Clc1ccnc2c1CC[C@@H]2[NH2+]Cc1ccccc1CN1CCOCC1 ZINC000924574796 759355858 /nfs/dbraw/zinc/35/58/58/759355858.db2.gz PIEZIWALRFOISK-IBGZPJMESA-N 2 0 357.885 3.344 20 0 FGADRP C[C@@H]1C[C@H]([NH2+]CC2CC[NH+](Cc3ccccc3Cl)CC2)c2ncnn21 ZINC000924988509 759428746 /nfs/dbraw/zinc/42/87/46/759428746.db2.gz BCSXYECYPIUIIT-KDOFPFPSSA-N 2 0 359.905 3.439 20 0 FGADRP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+]C2CC(CNC(=O)OC(C)(C)C)C2)C1 ZINC000925588309 759510314 /nfs/dbraw/zinc/51/03/14/759510314.db2.gz PLMMWFKENDQJKC-AOCRQIFASA-N 2 0 353.551 3.247 20 0 FGADRP [NH3+]CCC[C@H]([NH2+]CCCCn1cc(Br)cn1)c1ccccc1 ZINC000925652881 759517193 /nfs/dbraw/zinc/51/71/93/759517193.db2.gz HXESMYBKCMDACG-KRWDZBQOSA-N 2 0 365.319 3.496 20 0 FGADRP COc1ncc(Br)cc1C[NH2+][C@H](CCC[NH3+])c1ccccc1 ZINC000925719941 759526169 /nfs/dbraw/zinc/52/61/69/759526169.db2.gz QOXUWGOVQXSTRQ-MRXNPFEDSA-N 2 0 364.287 3.423 20 0 FGADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]Cc1ccc2ccc(Br)cc2c1 ZINC000925732475 759526855 /nfs/dbraw/zinc/52/68/55/759526855.db2.gz BRPBPWKAVVYAII-UYHISHBKSA-N 2 0 363.299 3.444 20 0 FGADRP [NH3+]C1CCN(CC[NH2+][C@@H]2CC[C@@H](c3ccc(C(F)(F)F)cc3)C2)CC1 ZINC000925816013 759550865 /nfs/dbraw/zinc/55/08/65/759550865.db2.gz CAXSXSPYPGNYKC-CRAIPNDOSA-N 2 0 355.448 3.354 20 0 FGADRP O=C1O[C@@H](C[NH2+][C@H]2CCSc3ccc(Cl)cc32)CC12CC[NH2+]CC2 ZINC000925852974 759558374 /nfs/dbraw/zinc/55/83/74/759558374.db2.gz JAVAGFMSVNDNAU-HIFRSBDPSA-N 2 0 366.914 3.152 20 0 FGADRP C[C@H]([NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1cc(Cl)ccc1Cl ZINC000925854397 759559450 /nfs/dbraw/zinc/55/94/50/759559450.db2.gz LTBXJAGKHUMHHC-AAEUAGOBSA-N 2 0 357.281 3.329 20 0 FGADRP CC[C@H]([NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1cccc(Cl)c1F ZINC000925855501 759560293 /nfs/dbraw/zinc/56/02/93/759560293.db2.gz KRHCZTPIJRYDDG-WFASDCNBSA-N 2 0 354.853 3.205 20 0 FGADRP C[C@@H]([NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1cc(Cl)sc1Cl ZINC000925857362 759561424 /nfs/dbraw/zinc/56/14/24/759561424.db2.gz VBLXTMIEFHJKBA-NXEZZACHSA-N 2 0 363.310 3.391 20 0 FGADRP CC(C)[C@H]([NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ccc(Cl)cc1 ZINC000925860180 759563013 /nfs/dbraw/zinc/56/30/13/759563013.db2.gz ZZZPPIDKZWOANF-SJORKVTESA-N 2 0 350.890 3.312 20 0 FGADRP C[C@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000925876428 759565042 /nfs/dbraw/zinc/56/50/42/759565042.db2.gz XTKYLQDAWBKIAJ-UXLLHSPISA-N 2 0 350.528 3.181 20 0 FGADRP FC(F)(F)C1CC[NH+](C2CC(N[C@@H]3CCC[N@@H+]4CCCC[C@@H]34)C2)CC1 ZINC000926332401 759718804 /nfs/dbraw/zinc/71/88/04/759718804.db2.gz XONOPNWTIMKCET-HIEASXQVSA-N 2 0 359.480 3.398 20 0 FGADRP CC(C)CC[NH+]1CCC([NH2+]CC[C@@H]2CCC3(CCOCC3)CO2)CC1 ZINC000926871073 759834695 /nfs/dbraw/zinc/83/46/95/759834695.db2.gz NAIYKCLRRXAWOS-FQEVSTJZSA-N 2 0 352.563 3.452 20 0 FGADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]C[C@H]3CCC4(CCOCC4)O3)CC2)C1 ZINC000927012472 759876824 /nfs/dbraw/zinc/87/68/24/759876824.db2.gz HTSQAIBRJGKROK-YZGWKJHDSA-N 2 0 350.547 3.347 20 0 FGADRP C[C@@H]1[C@H](C(=O)N2CC[C@@H]([NH2+]Cc3ccc(Cl)cc3Cl)C2)CC[N@@H+]1C ZINC000968728104 762841837 /nfs/dbraw/zinc/84/18/37/762841837.db2.gz DOLRWIGPZZLAJZ-DAXOMENPSA-N 2 0 370.324 3.024 20 0 FGADRP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCCCC[NH+]2CCC(F)(F)F)CC[N@@H+]1C ZINC000968867165 762844330 /nfs/dbraw/zinc/84/43/30/762844330.db2.gz SRDFRMSURKBWBI-HRCADAONSA-N 2 0 363.468 3.030 20 0 FGADRP CC[C@@H]1[C@@H](C(=O)N(C)C2CC([NH2+]Cc3cccc(Cl)c3)C2)CC[N@@H+]1C ZINC000998794232 765124234 /nfs/dbraw/zinc/12/42/34/765124234.db2.gz OKWJWLJNUVGKPF-WZOJCFFYSA-N 2 0 363.933 3.149 20 0 FGADRP Cc1cccc(Cl)c1C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000999189045 765144631 /nfs/dbraw/zinc/14/46/31/765144631.db2.gz GSTRTGQDXWHCQB-BRWVUGGUSA-N 2 0 363.933 3.069 20 0 FGADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H]([NH2+][C@H](C)c3cccc(Cl)c3)C2)CC[N@@H+]1C ZINC001020174608 765867053 /nfs/dbraw/zinc/86/70/53/765867053.db2.gz JBSMYDPIRBHVRG-QSGLGXSPSA-N 2 0 363.933 3.368 20 0 FGADRP C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1)c1cccc(Cl)c1F ZINC001022105294 765974077 /nfs/dbraw/zinc/97/40/77/765974077.db2.gz YNMGUDORHUDRDU-OJKRMQCYSA-N 2 0 367.896 3.117 20 0 FGADRP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]([NH+](C)Cc3csc(C)c3)C2)CC[N@@H+]1C ZINC001027418671 766093041 /nfs/dbraw/zinc/09/30/41/766093041.db2.gz GVICIMWCJCEWFQ-GBESFXJTSA-N 2 0 363.571 3.210 20 0 FGADRP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CC[NH+](Cc3ccc(Cl)s3)C2)CC[N@@H+]1C ZINC001028551114 766123123 /nfs/dbraw/zinc/12/31/23/766123123.db2.gz HNNYTKBJLAWLFI-VNQPRFMTSA-N 2 0 369.962 3.070 20 0 FGADRP Cc1nccn1CCC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000779021877 724381561 /nfs/dbraw/zinc/38/15/61/724381561.db2.gz ZKKXFNJUXXKEDG-NVXWUHKLSA-N 2 0 350.507 3.207 20 0 FGADRP c1ccc(C[N@@H+]2CCCO[C@@H](CN3CCC[C@H]3C[NH+]3CCCCC3)C2)cc1 ZINC000278565917 257374647 /nfs/dbraw/zinc/37/46/47/257374647.db2.gz IUSSTQNWTAPHLS-XZOQPEGZSA-N 2 0 371.569 3.228 20 0 FGADRP Cc1ccc2[nH+]ccc(NCc3cccc(C(=O)NCC[NH+](C)C)c3)c2c1 ZINC000302145628 257385106 /nfs/dbraw/zinc/38/51/06/257385106.db2.gz HQUGCMOZCHYQKE-UHFFFAOYSA-N 2 0 362.477 3.447 20 0 FGADRP Cc1nc2ccc(CNc3c[nH+]ccc3N3CC[NH+](C)CC3)cc2s1 ZINC000570775684 505577410 /nfs/dbraw/zinc/57/74/10/505577410.db2.gz IEOOLEKYQCOAEG-UHFFFAOYSA-N 2 0 353.495 3.364 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)CC[NH+]1CCCC[C@H]1C ZINC000567940455 505579980 /nfs/dbraw/zinc/57/99/80/505579980.db2.gz YHKYQCHLCCTIDX-SBHAEUEKSA-N 2 0 357.542 3.278 20 0 FGADRP CCOC(=O)C(C)(C)C1CC[NH+](Cc2cn(-c3cc[nH+]cc3)nc2C)CC1 ZINC000576790217 505594153 /nfs/dbraw/zinc/59/41/53/505594153.db2.gz SSMWNECFQBLWGL-UHFFFAOYSA-N 2 0 370.497 3.377 20 0 FGADRP Cc1cc(C[NH2+]Cc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)c(C)s1 ZINC000573693688 505598529 /nfs/dbraw/zinc/59/85/29/505598529.db2.gz ZVPUSLJEXVXWJS-UHFFFAOYSA-N 2 0 371.550 3.352 20 0 FGADRP COc1cc([C@H](C)[NH2+]CC2(SC)CC[NH+](C)CC2)cc(OC)c1OC ZINC000570890057 505603537 /nfs/dbraw/zinc/60/35/37/505603537.db2.gz DUDSBWYWTSIPSI-AWEZNQCLSA-N 2 0 368.543 3.190 20 0 FGADRP C[C@H](CC(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)C)C1CC[NH2+]CC1 ZINC000579829487 505628253 /nfs/dbraw/zinc/62/82/53/505628253.db2.gz MOTHSSZBCXPXQH-RDTXWAMCSA-N 2 0 351.922 3.085 20 0 FGADRP Cc1ncc2c(n1)CC[C@H]([NH2+][C@H]1CCN(Cc3ccccc3)C3(CC3)C1)C2 ZINC000579836315 505629812 /nfs/dbraw/zinc/62/98/12/505629812.db2.gz GCNYOUIIYGKHGW-SFTDATJTSA-N 2 0 362.521 3.429 20 0 FGADRP COc1cc([C@H](C)[NH2+]CCc2ccc(OCC[NH+]3CCCC3)cc2)ccn1 ZINC000579852456 505632844 /nfs/dbraw/zinc/63/28/44/505632844.db2.gz MYWZIZZNDAPTLV-SFHVURJKSA-N 2 0 369.509 3.458 20 0 FGADRP C[NH+](C)Cc1cc(CNC(=O)[C@@H]2CC[N@H+](Cc3ccccc3)C2)ccc1F ZINC000568199056 505641746 /nfs/dbraw/zinc/64/17/46/505641746.db2.gz OWXQEBIIBBFLDA-LJQANCHMSA-N 2 0 369.484 3.026 20 0 FGADRP C[C@@H]([NH2+]C1(CNC(=O)N2CC[C@@](C)(C[NH3+])C2)CCCC1)c1ccccc1 ZINC000573905524 505648236 /nfs/dbraw/zinc/64/82/36/505648236.db2.gz YTNYZRODMDBMLZ-XLIONFOSSA-N 2 0 358.530 3.030 20 0 FGADRP CC1(C)C(=O)N[C@@H]1C1CC[NH+](Cc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000573930909 505654513 /nfs/dbraw/zinc/65/45/13/505654513.db2.gz GCVMIEVNRRPEPU-OAQYLSRUSA-N 2 0 369.553 3.409 20 0 FGADRP O[C@H](C[NH2+]C1CC[NH+](C2CCC2)CC1)Cc1ccccc1C(F)(F)F ZINC000577098745 505663219 /nfs/dbraw/zinc/66/32/19/505663219.db2.gz HJIBFAJNSHRIPN-KRWDZBQOSA-N 2 0 356.432 3.215 20 0 FGADRP O[C@@H](COc1cccc2ccccc21)C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000047972315 493768601 /nfs/dbraw/zinc/76/86/01/493768601.db2.gz PSZNMJLXQVIXAW-OAQYLSRUSA-N 2 0 368.521 3.387 20 0 FGADRP CC(C)[NH+]1CCC([NH2+]C[C@@H](O)CO[C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000571198318 505677621 /nfs/dbraw/zinc/67/76/21/505677621.db2.gz JLMITHAPMRTBJZ-HNAYVOBHSA-N 2 0 354.922 3.241 20 0 FGADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)N2CCC[NH+](C(C)(C)C)CC2)C1 ZINC000057618010 493779220 /nfs/dbraw/zinc/77/92/20/493779220.db2.gz LJBKRYLMLUPCKM-ICSRJNTNSA-N 2 0 372.557 3.338 20 0 FGADRP CC(C)C[N@@H+]1CC[C@@H](C[NH2+]C[C@@H](O)COc2cccc(C(F)(F)F)c2)C1 ZINC000568382265 505681159 /nfs/dbraw/zinc/68/11/59/505681159.db2.gz VNNWPGASPNRLPN-DOTOQJQBSA-N 2 0 374.447 3.013 20 0 FGADRP Cc1cc2ncn(C[C@H](O)C[NH2+]CCCC[N@H+]3CCCC[C@H]3C)c2cc1C ZINC000568384032 505681431 /nfs/dbraw/zinc/68/14/31/505681431.db2.gz SQSSIVWUASSDPV-WOJBJXKFSA-N 2 0 372.557 3.258 20 0 FGADRP C[N@H+](CCc1cccs1)CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000075965423 493801757 /nfs/dbraw/zinc/80/17/57/493801757.db2.gz FCXBDCBARKMQLO-UHFFFAOYSA-N 2 0 371.550 3.135 20 0 FGADRP CC[NH+](CC)CC1CC[NH+](CC(=O)NC(=O)Nc2ccc(C)cc2C)CC1 ZINC000057847311 493808652 /nfs/dbraw/zinc/80/86/52/493808652.db2.gz IEFCYCDKKQLOFL-UHFFFAOYSA-N 2 0 374.529 3.005 20 0 FGADRP C[C@@H](CC[NH+](C)C)NC(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000068597313 493846199 /nfs/dbraw/zinc/84/61/99/493846199.db2.gz FBCIXIPILXXIFR-SFHVURJKSA-N 2 0 360.546 3.058 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)C1CC[NH+](C)CC1)c1ccccc1Cl ZINC000081238511 493850234 /nfs/dbraw/zinc/85/02/34/493850234.db2.gz HASXKWLVUXCYCR-GOSISDBHSA-N 2 0 351.922 3.181 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(Cl)cc1F ZINC000076330837 493866726 /nfs/dbraw/zinc/86/67/26/493866726.db2.gz GUVYRWAFCYXHOR-OAHLLOKOSA-N 2 0 370.900 3.359 20 0 FGADRP CCC[N@H+](C)C[C@@H]1CC[NH+](CCC(=O)Nc2ccc(Cl)cc2F)C1 ZINC000081578835 493922039 /nfs/dbraw/zinc/92/20/39/493922039.db2.gz RDRDCKHSWVFWID-AWEZNQCLSA-N 2 0 355.885 3.471 20 0 FGADRP C[NH+](C)[C@H](CNC(=O)c1ccc(C[NH+]2CCCC2)cc1)c1cccc(F)c1 ZINC000069180122 493933080 /nfs/dbraw/zinc/93/30/80/493933080.db2.gz RAQZNGPGLRQWLU-OAQYLSRUSA-N 2 0 369.484 3.454 20 0 FGADRP CSc1ccccc1NC(=O)CC[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000081636275 493935653 /nfs/dbraw/zinc/93/56/53/493935653.db2.gz ODOADADAECMSIE-QGZVFWFLSA-N 2 0 361.555 3.401 20 0 FGADRP C/C(=C\c1ccccc1)C[NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000076893892 493985576 /nfs/dbraw/zinc/98/55/76/493985576.db2.gz ZKUQZIOQKGWPEZ-OBGWFSINSA-N 2 0 351.494 3.171 20 0 FGADRP Cc1cc(NC[C@H](C)[NH+]2CCN(C)CC2)c2cc(OC(F)F)ccc2[nH+]1 ZINC000077215891 494034584 /nfs/dbraw/zinc/03/45/84/494034584.db2.gz DZVQJAJTQUAZHU-AWEZNQCLSA-N 2 0 364.440 3.192 20 0 FGADRP O=c1[nH]c(CC[NH+]2CCC(C[NH+]3CCCCCC3)CC2)nc2ccccc21 ZINC000077328240 494058894 /nfs/dbraw/zinc/05/88/94/494058894.db2.gz IXAYDXYTTJWJOV-UHFFFAOYSA-N 2 0 368.525 3.054 20 0 FGADRP OCC[C@H]1CCCC[NH+]1Cc1cccc(C[N@H+]2CCCC[C@@H]2CCO)c1 ZINC000070950229 494073348 /nfs/dbraw/zinc/07/33/48/494073348.db2.gz PPAOJKKCWQTSON-FGZHOGPDSA-N 2 0 360.542 3.160 20 0 FGADRP C[C@H](NC(=O)N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1)C(C)(C)C[NH+](C)C ZINC000085366750 494117689 /nfs/dbraw/zinc/11/76/89/494117689.db2.gz AIWXBHIFGAKDPI-OALUTQOASA-N 2 0 374.573 3.269 20 0 FGADRP Cc1ccc([C@H](CNC(=O)NCc2cccc(C[NH+](C)C)c2)[NH+](C)C)cc1 ZINC000065468977 494200544 /nfs/dbraw/zinc/20/05/44/494200544.db2.gz ODYJNIGNNZDVGS-NRFANRHFSA-N 2 0 368.525 3.159 20 0 FGADRP Cc1ccc([C@H](CNC(=O)NC[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)[NH+](C)C)cc1 ZINC000065469568 494201429 /nfs/dbraw/zinc/20/14/29/494201429.db2.gz VKIDVHYLXBTBRM-GGPKGHCWSA-N 2 0 360.546 3.017 20 0 FGADRP CC(C)C[NH+]1CCC(NC(=O)NCC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000065523664 494210006 /nfs/dbraw/zinc/21/00/06/494210006.db2.gz XMQZDKYNGQXBGV-QZTJIDSGSA-N 2 0 366.594 3.163 20 0 FGADRP CCC[N@@H+]1CC[C@H](CNC(=O)NCc2ccccc2C[NH+]2CCCCC2)C1 ZINC000054509878 494241983 /nfs/dbraw/zinc/24/19/83/494241983.db2.gz GSAKMSOBBZESMB-LJQANCHMSA-N 2 0 372.557 3.204 20 0 FGADRP Cc1cc2ncc([C@@H](C)[NH2+]CC3CCN(c4cc[nH+]cc4)CC3)c(C)n2n1 ZINC000089215344 494274029 /nfs/dbraw/zinc/27/40/29/494274029.db2.gz CHBQQMSIAZZTKN-MRXNPFEDSA-N 2 0 364.497 3.308 20 0 FGADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)[C@H]1C[NH2+]Cc2ccccc21 ZINC000568506532 505711712 /nfs/dbraw/zinc/71/17/12/505711712.db2.gz ZIHLDMOIJLGHTD-NRFANRHFSA-N 2 0 351.494 3.030 20 0 FGADRP CC[NH+](CC)Cc1ccccc1C[NH2+][C@H](C)C(=O)Nc1ccnn1C(C)C ZINC000072981126 494298549 /nfs/dbraw/zinc/29/85/49/494298549.db2.gz NEVDVQTXDLENCT-QGZVFWFLSA-N 2 0 371.529 3.423 20 0 FGADRP C(NC1CC[NH+](C2CCCCC2)CC1)C1([NH+]2CCCCC2)CCOCC1 ZINC000089594929 494327781 /nfs/dbraw/zinc/32/77/81/494327781.db2.gz AEJVVXXRVZTVGV-UHFFFAOYSA-N 2 0 363.590 3.408 20 0 FGADRP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N[C@H](C)C[NH+]1CCCCC1 ZINC000078668767 494340268 /nfs/dbraw/zinc/34/02/68/494340268.db2.gz CLMDUBADRQMJOZ-GOSISDBHSA-N 2 0 360.546 3.200 20 0 FGADRP Cc1nc(-c2cccc(NC(=O)C[NH+]3CCC(CC[NH3+])CC3)c2)cs1 ZINC000577380987 505717083 /nfs/dbraw/zinc/71/70/83/505717083.db2.gz MZGQWHQMOAEGPZ-UHFFFAOYSA-N 2 0 358.511 3.118 20 0 FGADRP O=C(NCCC[NH+]1CCCC1)C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000044913408 494388502 /nfs/dbraw/zinc/38/85/02/494388502.db2.gz AATSEVCYKJHXSZ-UHFFFAOYSA-N 2 0 363.933 3.154 20 0 FGADRP CC1CC[NH+](CCCNC(=O)NCc2cccc(C[NH+]3CCCC3)c2)CC1 ZINC000073679723 494412304 /nfs/dbraw/zinc/41/23/04/494412304.db2.gz LXNXDILIZUGJCJ-UHFFFAOYSA-N 2 0 372.557 3.204 20 0 FGADRP C[C@@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)[C@H](C)c1ccccc1 ZINC000090038801 494432529 /nfs/dbraw/zinc/43/25/29/494432529.db2.gz IEXHNZFLPYVGMJ-ZWKOTPCHSA-N 2 0 353.510 3.260 20 0 FGADRP O=C(N[C@@H](C[NH+]1CCCC1)c1ccccc1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000079310880 494435326 /nfs/dbraw/zinc/43/53/26/494435326.db2.gz JEZTURILJFONLJ-SFTDATJTSA-N 2 0 370.541 3.093 20 0 FGADRP CSC1(C[NH2+][C@H](C)c2ccc(OCC[NH+](C)C)cc2)CCOCC1 ZINC000090112933 494444006 /nfs/dbraw/zinc/44/40/06/494444006.db2.gz XZKAMJJAQFOTRM-MRXNPFEDSA-N 2 0 352.544 3.190 20 0 FGADRP C[C@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)c1cccc(Cl)c1 ZINC000090121705 494445139 /nfs/dbraw/zinc/44/51/39/494445139.db2.gz RUACUFSQHQYJLS-HNNXBMFYSA-N 2 0 359.901 3.482 20 0 FGADRP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000568575479 505725605 /nfs/dbraw/zinc/72/56/05/505725605.db2.gz CFMSXOYAEQZLFR-DENIHFKCSA-N 2 0 372.557 3.023 20 0 FGADRP CC(CN(C)C1CC[NH+](C(C)C)CC1)C[N@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000074353332 494523559 /nfs/dbraw/zinc/52/35/59/494523559.db2.gz ZFPRSLVNRIKNCD-UHFFFAOYSA-N 3 0 366.638 3.232 20 0 FGADRP Cc1nn(-c2cccc(F)c2)cc1C[NH+]1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000580297497 505726485 /nfs/dbraw/zinc/72/64/85/505726485.db2.gz IFJPKXIAFDFQQR-FPOVZHCZSA-N 2 0 372.488 3.038 20 0 FGADRP C[NH+](C)CCN(Cc1ccccc1)C(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000067508917 494555204 /nfs/dbraw/zinc/55/52/04/494555204.db2.gz ZZOCJXGNAJANHN-UHFFFAOYSA-N 2 0 365.521 3.486 20 0 FGADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](c1ccc(Br)cc1)C1CC1 ZINC000091334703 494583091 /nfs/dbraw/zinc/58/30/91/494583091.db2.gz VKSFNCZJNUZRQG-KBXCAEBGSA-N 2 0 366.347 3.126 20 0 FGADRP C[C@H]([NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1)c1nc2ccccc2n1C ZINC000091348792 494585971 /nfs/dbraw/zinc/58/59/71/494585971.db2.gz VFWOALDLYWYWCX-SFHVURJKSA-N 2 0 369.557 3.174 20 0 FGADRP CN1CCO[C@@H]([C@H]([NH2+]CCC2CC[NH+](C)CC2)c2ccc(Cl)cc2)C1 ZINC000131391918 494604518 /nfs/dbraw/zinc/60/45/18/494604518.db2.gz KDGLQKWIMLUKRP-WOJBJXKFSA-N 2 0 365.949 3.033 20 0 FGADRP Cc1noc(C)c1CC[NH2+]Cc1c(Cl)cccc1N1CC[NH+](C)CC1 ZINC000092391013 494612282 /nfs/dbraw/zinc/61/22/82/494612282.db2.gz LRBGZCGLPIJYNU-UHFFFAOYSA-N 2 0 362.905 3.029 20 0 FGADRP C[NH+]1CCC(Nc2ccccc2NC(=O)[C@@H]2C[NH2+]Cc3ccccc32)CC1 ZINC000580315351 505731511 /nfs/dbraw/zinc/73/15/11/505731511.db2.gz DPMIAHRIOUSJSV-LJQANCHMSA-N 2 0 364.493 3.018 20 0 FGADRP CC(C)CN(CC[NH+](C)C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000080164839 494620031 /nfs/dbraw/zinc/62/00/31/494620031.db2.gz PCWKGWVPBMTWJP-FPOVZHCZSA-N 2 0 374.573 3.269 20 0 FGADRP CC(C)CC[NH+]1CCC(CNC(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)CC1 ZINC000080219160 494642430 /nfs/dbraw/zinc/64/24/30/494642430.db2.gz KPICXQTYTNLDBU-HXUWFJFHSA-N 2 0 364.578 3.014 20 0 FGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@@H](C)c2ccc(SC)c(F)c2)CC1 ZINC000121204384 494645752 /nfs/dbraw/zinc/64/57/52/494645752.db2.gz DYDVXBNYMBYPTQ-HOTGVXAUSA-N 2 0 353.551 3.472 20 0 FGADRP Cc1cc2ncc([C@@H](C)[NH2+]Cc3ccc(F)c(C[NH+](C)C)c3)c(C)n2n1 ZINC000091725139 494657549 /nfs/dbraw/zinc/65/75/49/494657549.db2.gz HTBNGBSNDJHOQE-CQSZACIVSA-N 2 0 355.461 3.398 20 0 FGADRP C[C@@H]1CCC[N@@H+]1C1CCN(C(=O)NCCCC[NH+]2CCC(C)CC2)CC1 ZINC000126299798 494700532 /nfs/dbraw/zinc/70/05/32/494700532.db2.gz HOHXADLIUFSUQS-LJQANCHMSA-N 2 0 364.578 3.157 20 0 FGADRP C[NH+](C)CCNC(=O)c1ccc(C[NH2+][C@@H]2CC[C@H](c3ccccc3)C2)cc1 ZINC000131692176 494701559 /nfs/dbraw/zinc/70/15/59/494701559.db2.gz PQVLONWXRRMEPZ-FCHUYYIVSA-N 2 0 365.521 3.404 20 0 FGADRP CC[NH+]1CCC(CCNC(=O)N(CC[NH+](C)C)Cc2cccc(C)c2)CC1 ZINC000080462320 494710749 /nfs/dbraw/zinc/71/07/49/494710749.db2.gz KAZMOCXBCPNRNV-UHFFFAOYSA-N 2 0 374.573 3.190 20 0 FGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H](C)c2ccc(OC(F)F)cc2)CC1 ZINC000121349804 494713837 /nfs/dbraw/zinc/71/38/37/494713837.db2.gz QNLAZHZLHQSNRT-HZPDHXFCSA-N 2 0 355.473 3.212 20 0 FGADRP CCN1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000091892680 494716916 /nfs/dbraw/zinc/71/69/16/494716916.db2.gz MEBXHYCYMUXYHT-YADHBBJMSA-N 2 0 370.585 3.276 20 0 FGADRP CCC(C)(C)NC(=O)[C@@H](C)[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092820990 494762875 /nfs/dbraw/zinc/76/28/75/494762875.db2.gz NEYZCIAMJAIPOH-QGZVFWFLSA-N 2 0 360.546 3.313 20 0 FGADRP C[C@@H]([NH3+])[C@H]1CCCN(C(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)C1 ZINC000574297373 505741235 /nfs/dbraw/zinc/74/12/35/505741235.db2.gz MNUSQSHRBHJJIU-NQIIRXRSSA-N 2 0 372.557 3.331 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000116422219 494782581 /nfs/dbraw/zinc/78/25/81/494782581.db2.gz GKQDXGJBNNMIHC-MSOLQXFVSA-N 2 0 354.583 3.307 20 0 FGADRP CCC[NH+]1CCC(CNC(=O)N[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC000131956729 494785024 /nfs/dbraw/zinc/78/50/24/494785024.db2.gz YKFIXURDBOHBKK-RXVVDRJESA-N 2 0 372.557 3.071 20 0 FGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)Nc1cccc(C[NH+]2CCSCC2)c1C ZINC000116435246 494786431 /nfs/dbraw/zinc/78/64/31/494786431.db2.gz YPEROQFKBUDAAO-LJQANCHMSA-N 2 0 361.555 3.357 20 0 FGADRP CC(C)[NH+]1CCC(NC(=O)NC2CC[NH+]([C@H](C)c3ccccc3)CC2)CC1 ZINC000116435818 494786487 /nfs/dbraw/zinc/78/64/87/494786487.db2.gz IUKUHMVHINWLTH-GOSISDBHSA-N 2 0 372.557 3.384 20 0 FGADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H]2CCCOc3c(Cl)cc(C)cc32)CC1 ZINC000126553510 494787344 /nfs/dbraw/zinc/78/73/44/494787344.db2.gz NKIUWJZMBRCKAA-LPHOPBHVSA-N 2 0 365.949 3.478 20 0 FGADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H]2CCCOc3c(Cl)cc(C)cc32)CC1 ZINC000126553278 494787717 /nfs/dbraw/zinc/78/77/17/494787717.db2.gz NKIUWJZMBRCKAA-VQIMIIECSA-N 2 0 365.949 3.478 20 0 FGADRP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)NC3CC[NH+](C)CC3)cc2)C1 ZINC000047886760 494787841 /nfs/dbraw/zinc/78/78/41/494787841.db2.gz CKIKBZCSIKFXSC-QZTJIDSGSA-N 2 0 372.557 3.058 20 0 FGADRP CCCC[NH+]1CCC(NC(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2)CC1 ZINC000121535673 494796063 /nfs/dbraw/zinc/79/60/63/494796063.db2.gz GOSPKJWGHRKHSS-OAQYLSRUSA-N 2 0 357.542 3.422 20 0 FGADRP Cc1cc(Cl)c2c(c1)[C@H]([NH2+][C@@H](C)CN1CC[NH+](C)CC1)CCCO2 ZINC000126677339 494817018 /nfs/dbraw/zinc/81/70/18/494817018.db2.gz NSNOUSISXBPWLG-MAUKXSAKSA-N 2 0 351.922 3.088 20 0 FGADRP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccc(OC)c4ccccc34)C2)CC1 ZINC000093133380 494829732 /nfs/dbraw/zinc/82/97/32/494829732.db2.gz OJYGPGXUBXUPQW-LJQANCHMSA-N 2 0 353.510 3.060 20 0 FGADRP CC(C)n1cc([C@H](C)[NH2+]Cc2ccc(CN3CC[NH+](C)CC3)cc2)cn1 ZINC000126741838 494830330 /nfs/dbraw/zinc/83/03/30/494830330.db2.gz RTBPVIOPYCKDCG-SFHVURJKSA-N 2 0 355.530 3.062 20 0 FGADRP CC[NH+](CC)[C@H](C(=O)N1CCC(C[NH+]2CCCC2)CC1)c1ccccc1 ZINC000109151369 494838089 /nfs/dbraw/zinc/83/80/89/494838089.db2.gz NWMIEHNULATNAD-NRFANRHFSA-N 2 0 357.542 3.404 20 0 FGADRP FC(F)(F)c1ccccc1OCC[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000126816747 494842787 /nfs/dbraw/zinc/84/27/87/494842787.db2.gz QMXVFADQWBLEHC-UHFFFAOYSA-N 2 0 372.431 3.128 20 0 FGADRP c1ccc(CCN2CCC([NH2+]CCN3CCc4ccccc4C3)CC2)cc1 ZINC000121735503 494848276 /nfs/dbraw/zinc/84/82/76/494848276.db2.gz QGMBNGCZXRDGAB-UHFFFAOYSA-N 2 0 363.549 3.341 20 0 FGADRP CC(C)[C@@H](C[NH2+][C@@H](C)c1cccc(Br)c1)N1CC[NH+](C)CC1 ZINC000132329789 494857877 /nfs/dbraw/zinc/85/78/77/494857877.db2.gz UQMSBLWIDCEXPL-MAUKXSAKSA-N 2 0 368.363 3.372 20 0 FGADRP CC(C)[C@@H](C[NH2+][C@H](C)c1ccc(OC(F)F)cc1)N1CC[NH+](C)CC1 ZINC000132354883 494861402 /nfs/dbraw/zinc/86/14/02/494861402.db2.gz XDAWAIDDYWYFBL-CRAIPNDOSA-N 2 0 355.473 3.211 20 0 FGADRP COc1ccc([C@H]2C[C@@H](C)C[N@@H+]2CC(=O)NC2CC[NH+](C(C)C)CC2)cc1 ZINC000121862500 494877362 /nfs/dbraw/zinc/87/73/62/494877362.db2.gz COOWSOXVQGEHNZ-DYESRHJHSA-N 2 0 373.541 3.067 20 0 FGADRP CC(C)[C@@H](C[NH2+][C@@H](C)c1ccc(F)cc1OC(F)F)N1CC[NH+](C)CC1 ZINC000132554111 494891726 /nfs/dbraw/zinc/89/17/26/494891726.db2.gz XKXFFHDNNJOCOL-WMLDXEAASA-N 2 0 373.463 3.350 20 0 FGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+][C@@H]2C[C@H](C)N(C3CC3)C2)CC1 ZINC000127278345 494921361 /nfs/dbraw/zinc/92/13/61/494921361.db2.gz TXKCOYHQEOPCTM-JENIJYKNSA-N 2 0 374.548 3.243 20 0 FGADRP CC(C)c1ccc2c(c1)[C@H]([NH2+]CCCC[NH+]1CCN(CCO)CC1)CCC2 ZINC000127445875 494945896 /nfs/dbraw/zinc/94/58/96/494945896.db2.gz WYBALYPANAAPPB-HSZRJFAPSA-N 2 0 373.585 3.167 20 0 FGADRP Cc1cc(Cl)cc2c1OCCC[C@H]2[NH2+][C@@H](C)CN1CC[NH+](C)CC1 ZINC000122314004 494956553 /nfs/dbraw/zinc/95/65/53/494956553.db2.gz PITGMUTXLDSUTM-MAUKXSAKSA-N 2 0 351.922 3.088 20 0 FGADRP C[C@@H](C[NH2+][C@H]1CCCc2ncc(C(F)(F)F)cc21)CN1CCOCC1 ZINC000133023930 494957637 /nfs/dbraw/zinc/95/76/37/494957637.db2.gz QVYKIQIPZANGCX-BBRMVZONSA-N 2 0 357.420 3.036 20 0 FGADRP C[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccc(-n2ccnc2)cc1 ZINC000133041219 494960091 /nfs/dbraw/zinc/96/00/91/494960091.db2.gz YTYJCPJBCZYHGF-ROUUACIJSA-N 2 0 354.498 3.024 20 0 FGADRP C[C@H](C[NH2+][C@@H](C)c1cc(Cl)ccc1OC(F)F)N1CC[NH+](C)CC1 ZINC000127698921 494983090 /nfs/dbraw/zinc/98/30/90/494983090.db2.gz CCRZSLXCHPSKKM-OLZOCXBDSA-N 2 0 361.864 3.228 20 0 FGADRP C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000580412978 505753660 /nfs/dbraw/zinc/75/36/60/505753660.db2.gz MHSJMDGDHGLWHN-NQIIRXRSSA-N 2 0 372.557 3.474 20 0 FGADRP CN(c1ccccc1C[NH2+]C[C@H](O)c1cccc(F)c1)C1CC[NH+](C)CC1 ZINC000133334650 495002146 /nfs/dbraw/zinc/00/21/46/495002146.db2.gz YHBJEKZHAAOJBX-QFIPXVFZSA-N 2 0 371.500 3.179 20 0 FGADRP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+]1CC[C@@H](C)[C@@H](C)C1 ZINC000122604689 495002385 /nfs/dbraw/zinc/00/23/85/495002385.db2.gz VSXAKJSMKGCLNO-QYZOEREBSA-N 2 0 357.542 3.134 20 0 FGADRP C[C@H]([NH3+])c1ccc(CNC(=O)NC[C@@H](c2ccc(Cl)cc2)[NH+](C)C)cc1 ZINC000580420373 505755877 /nfs/dbraw/zinc/75/58/77/505755877.db2.gz WQSDRBVMJSZGAR-LIRRHRJNSA-N 2 0 374.916 3.462 20 0 FGADRP C[C@@H](C[NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1)c1ccc(F)cc1 ZINC000128023176 495032058 /nfs/dbraw/zinc/03/20/58/495032058.db2.gz IPHPNQJJVFHGES-INIZCTEOSA-N 2 0 363.521 3.146 20 0 FGADRP Cc1ccc(NC(=O)NC(=O)[C@@H](C)[NH+]2CCC(CC[NH+](C)C)CC2)c(C)c1 ZINC000118868007 495051471 /nfs/dbraw/zinc/05/14/71/495051471.db2.gz HVAQSERRNIWKTD-QGZVFWFLSA-N 2 0 374.529 3.004 20 0 FGADRP C[C@H](CNC(=O)NCc1ccc(C[NH+](C)C)cc1)[N@H+](C)Cc1ccccc1 ZINC000111444217 495075710 /nfs/dbraw/zinc/07/57/10/495075710.db2.gz DLYGDUQBXLDPKC-GOSISDBHSA-N 2 0 368.525 3.068 20 0 FGADRP C[C@H]([NH2+]CCCN1CCC[N@H+](C)CC1)c1ccc(F)cc1Br ZINC000128310162 495077425 /nfs/dbraw/zinc/07/74/25/495077425.db2.gz GVVDWLJPAYHHAP-AWEZNQCLSA-N 2 0 372.326 3.266 20 0 FGADRP C[NH+](C)CCCC1CC[NH+](C[C@H](O)CO[C@H]2CCCc3ccccc32)CC1 ZINC000123119503 495082994 /nfs/dbraw/zinc/08/29/94/495082994.db2.gz IOGNDXRVXVZYBW-GMAHTHKFSA-N 2 0 374.569 3.495 20 0 FGADRP Cc1ccccc1CN(C)C(=O)[C@H](C)[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123124140 495084178 /nfs/dbraw/zinc/08/41/78/495084178.db2.gz HTVXPCXVTIHYPN-IBGZPJMESA-N 2 0 359.558 3.396 20 0 FGADRP CCCC[NH+]1CCC(NC(=O)N[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000128353093 495084290 /nfs/dbraw/zinc/08/42/90/495084290.db2.gz UOAZEHUSGBNUNI-RXVVDRJESA-N 2 0 372.557 3.071 20 0 FGADRP COc1ccc2c(c1)CCCN2C(=O)C[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123318982 495113824 /nfs/dbraw/zinc/11/38/24/495113824.db2.gz NOYNOCQNFOCBAY-UHFFFAOYSA-N 2 0 373.541 3.028 20 0 FGADRP c1[nH+]cn2ccc(-c3noc([C@H]4CCC[N@@H+](Cc5cccnc5)C4)n3)cc12 ZINC000574394051 505762830 /nfs/dbraw/zinc/76/28/30/505762830.db2.gz LPTJMVMESVOWJC-KRWDZBQOSA-N 2 0 360.421 3.159 20 0 FGADRP C[C@@H]([NH2+]CCC(=O)NC1CCCCC1)c1cccc(OCC[NH+](C)C)c1 ZINC000128678964 495133969 /nfs/dbraw/zinc/13/39/69/495133969.db2.gz RBFSTEUWGHZIBB-QGZVFWFLSA-N 2 0 361.530 3.117 20 0 FGADRP COc1ccc([C@H](CNC(=O)C[C@H]([NH3+])c2ccccc2)[NH+]2CCCC2)cc1 ZINC000119423271 495164119 /nfs/dbraw/zinc/16/41/19/495164119.db2.gz KWGPZYQKNOEEMN-SFTDATJTSA-N 2 0 367.493 3.038 20 0 FGADRP CCOc1ccc(NC(=O)CC[NH+]2CCC(CCC[NH+](C)C)CC2)cc1 ZINC000123680679 495169995 /nfs/dbraw/zinc/16/99/95/495169995.db2.gz AHCCZXNJTFWNHD-UHFFFAOYSA-N 2 0 361.530 3.468 20 0 FGADRP C[C@H]([NH2+]C(C)(C)CNC(=O)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1)c1ccccc1 ZINC000129063526 495190556 /nfs/dbraw/zinc/19/05/56/495190556.db2.gz JJVCRLMYDHBLJJ-XYJFISCASA-N 2 0 358.530 3.040 20 0 FGADRP Cc1ccc([C@H](CNC(=O)C[C@H]([NH3+])c2ccccc2)[NH+]2CCCC2)cc1 ZINC000119580954 495194665 /nfs/dbraw/zinc/19/46/65/495194665.db2.gz OFTFNCWJJYMIAG-SFTDATJTSA-N 2 0 351.494 3.338 20 0 FGADRP CC[NH+]1CCN(c2ccc(C[NH2+][C@H](C)c3ccc(F)c(F)c3)cn2)CC1 ZINC000112529229 495201627 /nfs/dbraw/zinc/20/16/27/495201627.db2.gz RGSGEDGYHPMYKY-OAHLLOKOSA-N 2 0 360.452 3.353 20 0 FGADRP C[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1)c1ccc(F)cc1 ZINC000112545869 495204064 /nfs/dbraw/zinc/20/40/64/495204064.db2.gz UVTRNGCKCLXNOJ-JXFKEZNVSA-N 2 0 369.484 3.374 20 0 FGADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)NCCC1CC[NH+](C)CC1 ZINC000103303376 495215793 /nfs/dbraw/zinc/21/57/93/495215793.db2.gz XQTAHFVEBAABGE-UHFFFAOYSA-N 2 0 360.546 3.058 20 0 FGADRP O=C(CCN1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)Nc1cc(F)cc(F)c1 ZINC000134894875 495217295 /nfs/dbraw/zinc/21/72/95/495217295.db2.gz IOVNDHKGRSWNIZ-KUHUBIRLSA-N 2 0 363.452 3.242 20 0 FGADRP CC(=O)c1ccc(NC(=O)CC[NH+]2CCC(C[NH+]3CCCC3)CC2)cc1 ZINC000103482396 495241725 /nfs/dbraw/zinc/24/17/25/495241725.db2.gz PNRMMYFYPKQFAK-UHFFFAOYSA-N 2 0 357.498 3.026 20 0 FGADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H](c2ccc(Cl)cc2)N2CCOCC2)[C@H](C)C1 ZINC000119789741 495241933 /nfs/dbraw/zinc/24/19/33/495241933.db2.gz YALGRVYFCRVYEK-UXPWSPDFSA-N 2 0 365.949 3.033 20 0 FGADRP COc1ccc(Cl)cc1[C@H](C)[NH2+]CC1CC[NH+](CCN(C)C)CC1 ZINC000124511313 495299727 /nfs/dbraw/zinc/29/97/27/495299727.db2.gz ZQDHCYLSDOFZKP-HNNXBMFYSA-N 2 0 353.938 3.273 20 0 FGADRP C[NH+](C)CCNC(=O)c1ccc(C[NH2+][C@@H]2CCC[C@H](C(F)(F)F)C2)cc1 ZINC000129986568 495323930 /nfs/dbraw/zinc/32/39/30/495323930.db2.gz WGRDKPUHTYKHRA-DLBZAZTESA-N 2 0 371.447 3.189 20 0 FGADRP CC1CC[NH+](Cc2ccc(CNC(=O)N3CCC[C@@H]([NH+](C)C)C3)cc2)CC1 ZINC000105112863 495337741 /nfs/dbraw/zinc/33/77/41/495337741.db2.gz AXNZDCOKEFBHCI-OAQYLSRUSA-N 2 0 372.557 3.154 20 0 FGADRP CC[NH+]1CCN([C@@H]2CC[N@H+](CCOc3cccc(C(C)(C)C)c3)C2)CC1 ZINC000113997725 495342124 /nfs/dbraw/zinc/34/21/24/495342124.db2.gz GYSRJCMPMRLYIK-HXUWFJFHSA-N 2 0 359.558 3.075 20 0 FGADRP CCC[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)c1ccc(OC)cc1 ZINC000130454952 495394400 /nfs/dbraw/zinc/39/44/00/495394400.db2.gz IMURBCWWARBWQS-OAQYLSRUSA-N 2 0 368.525 3.473 20 0 FGADRP C[NH+]1CCN(c2cc(C[NH2+][C@@H]3CC[C@@H](c4ccccc4)C3)ccn2)CC1 ZINC000130520043 495405136 /nfs/dbraw/zinc/40/51/36/495405136.db2.gz PSOCHNPWNOUFSZ-NHCUHLMSSA-N 2 0 350.510 3.259 20 0 FGADRP C[C@@H]([NH2+]CCc1cn2ccccc2n1)c1cccc(OCC[NH+](C)C)c1 ZINC000130591799 495416228 /nfs/dbraw/zinc/41/62/28/495416228.db2.gz NAYDVYFRGOIGPJ-QGZVFWFLSA-N 2 0 352.482 3.168 20 0 FGADRP Cc1cccc(N2CC[NH+](CCCC[NH2+][C@@H]3C[C@@H](C)[N@@H+](C)C[C@@H]3C)CC2)c1 ZINC000125328476 495427368 /nfs/dbraw/zinc/42/73/68/495427368.db2.gz KBGVYCRPIOJRKW-QZNHQXDQSA-N 3 0 372.601 3.216 20 0 FGADRP COC(=O)[C@H](NCC1CCN(c2cc[nH+]cc2)CC1)c1ccccc1C ZINC000120785244 495456804 /nfs/dbraw/zinc/45/68/04/495456804.db2.gz OULFDMOACIJXDT-HXUWFJFHSA-N 2 0 353.466 3.110 20 0 FGADRP O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000106513846 495460192 /nfs/dbraw/zinc/46/01/92/495460192.db2.gz ZUBJBAJQAGEWLB-FPOVZHCZSA-N 2 0 370.541 3.140 20 0 FGADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)C1 ZINC000130880468 495460834 /nfs/dbraw/zinc/46/08/34/495460834.db2.gz FGBVLTZPOCIWOJ-UXHICEINSA-N 2 0 364.578 3.014 20 0 FGADRP CC[N@H+](C)Cc1cccc(CNC(=O)NC[C@@H](C)[NH+]2CCCC[C@@H]2C)c1 ZINC000140557406 495497379 /nfs/dbraw/zinc/49/73/79/495497379.db2.gz XKLSQLMGVYXMBO-ZWKOTPCHSA-N 2 0 360.546 3.200 20 0 FGADRP CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+]C2CC[NH+](CC(C)C)CC2)cc1 ZINC000131206426 495506889 /nfs/dbraw/zinc/50/68/89/495506889.db2.gz ZSMJKYRLBBQAAM-MRXNPFEDSA-N 2 0 367.559 3.219 20 0 FGADRP CC[NH+]1CCN([C@@H]2CC[N@H+](CCCOc3ccc4ccccc4c3)C2)CC1 ZINC000107371920 495526127 /nfs/dbraw/zinc/52/61/27/495526127.db2.gz PVMBEHORGCSCLE-JOCHJYFZSA-N 2 0 367.537 3.321 20 0 FGADRP CC(C)C[NH+]1CCC(NC(=O)N[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)CC1 ZINC000182386858 495542897 /nfs/dbraw/zinc/54/28/97/495542897.db2.gz MYJLECYPVWXJJG-MSOLQXFVSA-N 2 0 364.578 3.059 20 0 FGADRP C[C@H](C1CC1)[N@H+](CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)C1CC1 ZINC000170643296 495543626 /nfs/dbraw/zinc/54/36/26/495543626.db2.gz MACAQTOODWDDHG-MRXNPFEDSA-N 2 0 373.566 3.437 20 0 FGADRP CCC[C@H]([NH2+]Cc1ccc(N2CC[NH+](CC)CC2)nc1)c1ccccn1 ZINC000158663209 495562504 /nfs/dbraw/zinc/56/25/04/495562504.db2.gz GVUAVEQSYNBDEV-IBGZPJMESA-N 2 0 353.514 3.250 20 0 FGADRP O=C(C[N@@H+]1CCC[C@@H]2CCC[C@@H]21)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000173561419 495589159 /nfs/dbraw/zinc/58/91/59/495589159.db2.gz SAIYCMKDUDJYGW-ICSRJNTNSA-N 2 0 373.566 3.438 20 0 FGADRP Oc1cc(F)cc(C[NH2+]CC2CC[NH+](C[C@@H](O)c3ccccc3)CC2)c1 ZINC000185523033 495609902 /nfs/dbraw/zinc/60/99/02/495609902.db2.gz IHXKDJPISCOOEV-OAQYLSRUSA-N 2 0 358.457 3.067 20 0 FGADRP C[C@@H](CCNC(=O)N(CC[NH+](C)C)Cc1cccs1)[NH+]1CCCCC1 ZINC000182673489 495658375 /nfs/dbraw/zinc/65/83/75/495658375.db2.gz UAWOPIWBFINUPF-KRWDZBQOSA-N 2 0 366.575 3.086 20 0 FGADRP CC[NH+]1CCC(CCNC(=O)N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)CC1 ZINC000182671738 495658455 /nfs/dbraw/zinc/65/84/55/495658455.db2.gz OHWYUTZGUNOYDG-IEBWSBKVSA-N 2 0 364.578 3.061 20 0 FGADRP CC(C)N(CC[NH+](C)C)C(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000159168081 495673772 /nfs/dbraw/zinc/67/37/72/495673772.db2.gz INPMOQRTFKZCEW-AEFFLSMTSA-N 2 0 366.575 3.113 20 0 FGADRP CC(C)COC[C@H](O)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000159210227 495683884 /nfs/dbraw/zinc/68/38/84/495683884.db2.gz XTXGMKOZSAVOCA-YPAWHYETSA-N 2 0 360.542 3.006 20 0 FGADRP CCCN(C(=O)NC1CC[NH+](C)CC1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000171003262 495684090 /nfs/dbraw/zinc/68/40/90/495684090.db2.gz GEVQVXXZGJXEGX-OAQYLSRUSA-N 2 0 372.557 3.167 20 0 FGADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NCC[C@@H](C)[NH+](C)Cc1ccccc1 ZINC000176570429 495703212 /nfs/dbraw/zinc/70/32/12/495703212.db2.gz BZYONADYDYPCTC-NRSPTQNISA-N 2 0 372.557 3.165 20 0 FGADRP C[C@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1ccc(OC(F)(F)F)cc1 ZINC000151000155 495707730 /nfs/dbraw/zinc/70/77/30/495707730.db2.gz KVUKEHCHFPFQPP-AWEZNQCLSA-N 2 0 359.436 3.262 20 0 FGADRP C[NH+](C)[C@H]1CCC[C@H](NC(=O)N(Cc2ccccc2)C2CC[NH+](C)CC2)C1 ZINC000176611226 495720433 /nfs/dbraw/zinc/72/04/33/495720433.db2.gz NEURQADTXBDVRC-FPOVZHCZSA-N 2 0 372.557 3.165 20 0 FGADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1cccc(OCc2ccccc2)c1 ZINC000185865188 495755890 /nfs/dbraw/zinc/75/58/90/495755890.db2.gz DXOXCDGFFSWUME-HXUWFJFHSA-N 2 0 367.537 3.381 20 0 FGADRP COc1cc(-c2ccccc2)ccc1C[NH2+][C@H](C)CCN1CC[NH+](C)CC1 ZINC000185874618 495759733 /nfs/dbraw/zinc/75/97/33/495759733.db2.gz CNQCXUZOHQUKLV-LJQANCHMSA-N 2 0 367.537 3.478 20 0 FGADRP C[NH+]1CCN(CCC(C)(C)[NH2+]Cc2ccc(F)cc2Br)CC1 ZINC000185887671 495766040 /nfs/dbraw/zinc/76/60/40/495766040.db2.gz WMPLAAXAGGBGAX-UHFFFAOYSA-N 2 0 372.326 3.094 20 0 FGADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H](Cc1cccc(F)c1)c1cccc(F)c1 ZINC000154904111 495767092 /nfs/dbraw/zinc/76/70/92/495767092.db2.gz BBQUVLVMAFSQTM-VGOFRKELSA-N 2 0 373.491 3.474 20 0 FGADRP C[NH+]1CCN(CCC(C)(C)[NH2+]Cc2ccc(OCC(F)(F)F)cc2)CC1 ZINC000185892443 495767780 /nfs/dbraw/zinc/76/77/80/495767780.db2.gz MUSICUKYHCSNHV-UHFFFAOYSA-N 2 0 373.463 3.133 20 0 FGADRP CC[C@@H](C)c1ccccc1NC(=O)[C@H](C)[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000182962218 495776810 /nfs/dbraw/zinc/77/68/10/495776810.db2.gz VBBPVPWFSVSGAE-MOPGFXCFSA-N 2 0 374.573 3.096 20 0 FGADRP C[C@@H](C(=O)NCC1CC[NH+](Cc2ccccc2)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000171274260 495800358 /nfs/dbraw/zinc/80/03/58/495800358.db2.gz ZZNZRWVUJLGNJP-OTWHNJEPSA-N 2 0 357.542 3.276 20 0 FGADRP Cc1ccc(NC(=O)CC[NH2+]C2CCC([NH+]3CCC(C)CC3)CC2)nc1 ZINC000580642522 505804654 /nfs/dbraw/zinc/80/46/54/505804654.db2.gz ZDPHFZXPUWGSOO-UHFFFAOYSA-N 2 0 358.530 3.351 20 0 FGADRP Cc1ccc2c(C[NH+]3CCC(OCC[NH+]4CCCC4)CC3)cc(=O)oc2c1 ZINC000174240279 495877351 /nfs/dbraw/zinc/87/73/51/495877351.db2.gz JKAREUHDEHJVPP-UHFFFAOYSA-N 2 0 370.493 3.178 20 0 FGADRP C[NH+](C)Cc1c2ccccc2oc1C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000174319498 495907624 /nfs/dbraw/zinc/90/76/24/495907624.db2.gz JQARDQCCCLNYSO-INIZCTEOSA-N 2 0 355.482 3.052 20 0 FGADRP C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)N2CCC[NH+](C)CC2)c1 ZINC000171533876 495917735 /nfs/dbraw/zinc/91/77/35/495917735.db2.gz KNEAZIRILTYCRV-UHFFFAOYSA-N 2 0 351.494 3.096 20 0 FGADRP Cc1cc(C[NH2+]CCCN2CCC[N@@H+](C)CC2)c(OC(F)F)cc1C ZINC000174354475 495923342 /nfs/dbraw/zinc/92/33/42/495923342.db2.gz XEOWWHFFPIKSOM-UHFFFAOYSA-N 2 0 355.473 3.022 20 0 FGADRP Cc1ccc2c(c1)[C@@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)[C@@H](C)C2 ZINC000180267043 495930178 /nfs/dbraw/zinc/93/01/78/495930178.db2.gz JWGTZABCVQOOCK-UWJYYQICSA-N 2 0 350.510 3.165 20 0 FGADRP CC[C@@H](C(=O)N1CCCC[C@H]([NH+]2CCCC2)C1)[N@H+](C)Cc1ccccc1 ZINC000568937010 505812551 /nfs/dbraw/zinc/81/25/51/505812551.db2.gz POWRCPNSWVKBTC-SFTDATJTSA-N 2 0 357.542 3.374 20 0 FGADRP Cc1ccc([C@H](CNC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)[NH+](C)C)cc1 ZINC000174383664 495934458 /nfs/dbraw/zinc/93/44/58/495934458.db2.gz XMMJCZKGNYRMIF-HKBOAZHASA-N 2 0 372.557 3.254 20 0 FGADRP C[NH+](C)Cc1c2ccccc2oc1C(=O)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000174383587 495934506 /nfs/dbraw/zinc/93/45/06/495934506.db2.gz CBNPWWNFAYRNIB-QGZVFWFLSA-N 2 0 369.509 3.442 20 0 FGADRP CC[N@H+](C)Cc1cccc(CNC(=O)N2CC[C@H]3CC[C@@H](C2)[NH+]3C(C)C)c1 ZINC000174449011 495964655 /nfs/dbraw/zinc/96/46/55/495964655.db2.gz RMSDKMPRIWNXIU-RTWAWAEBSA-N 2 0 372.557 3.295 20 0 FGADRP Cc1nc(-c2ccccc2)sc1[C@@H](C)[NH2+]CC1CC[NH+](CCO)CC1 ZINC000151859540 495973054 /nfs/dbraw/zinc/97/30/54/495973054.db2.gz HFHCVXJKHAMUST-OAHLLOKOSA-N 2 0 359.539 3.473 20 0 FGADRP C[NH+](C)CCNC(=O)C1CC[NH+](C2c3ccccc3-c3ccccc32)CC1 ZINC000171658869 495976219 /nfs/dbraw/zinc/97/62/19/495976219.db2.gz FBADMIAAZFOADD-UHFFFAOYSA-N 2 0 363.505 3.146 20 0 FGADRP CC(C)[NH+]1CCC([NH2+]C2CCN(C(=O)c3ccccc3Cl)CC2)CC1 ZINC000180406045 495983196 /nfs/dbraw/zinc/98/31/96/495983196.db2.gz GXNISMDVEQILBH-UHFFFAOYSA-N 2 0 363.933 3.407 20 0 FGADRP C[C@H]([NH2+]CCCN1CC[N@H+](C)C[C@@H]1c1ccccc1)c1cncc(F)c1 ZINC000151901415 495987560 /nfs/dbraw/zinc/98/75/60/495987560.db2.gz ISGQSWQQOZNNBI-LAUBAEHRSA-N 2 0 356.489 3.250 20 0 FGADRP CN(C)CC[NH+]1CCC(C[NH2+]Cc2ccc(-c3ccc(F)cc3)o2)CC1 ZINC000171765177 496026951 /nfs/dbraw/zinc/02/69/51/496026951.db2.gz JJUQYDRRRPDESD-UHFFFAOYSA-N 2 0 359.489 3.449 20 0 FGADRP CC(C)N(C)C(=O)[C@@H](C)[NH2+]Cc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000177458759 496069500 /nfs/dbraw/zinc/06/95/00/496069500.db2.gz HHODVIFZYYTOOB-QGZVFWFLSA-N 2 0 357.498 3.257 20 0 FGADRP C[C@H]1CCN(C(=O)NCCC2CC[NH+](C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000174711377 496072924 /nfs/dbraw/zinc/07/29/24/496072924.db2.gz WRGMENFRAPBSQR-IBGZPJMESA-N 2 0 372.557 3.024 20 0 FGADRP C[NH+]1CCC(CC[NH2+]Cc2cn(-c3ccc(Cl)c(Cl)c3)nn2)CC1 ZINC000183733012 496096903 /nfs/dbraw/zinc/09/69/03/496096903.db2.gz RVWNIAUZIKOBJY-UHFFFAOYSA-N 2 0 368.312 3.396 20 0 FGADRP Fc1cccc(F)c1-n1ccc(CN2CC[C@@H](Oc3ccncc3)C2)n1 ZINC000155933121 496110786 /nfs/dbraw/zinc/11/07/86/496110786.db2.gz YPEKYSGYWBKOFF-MRXNPFEDSA-N 2 0 356.376 3.199 20 0 FGADRP Cc1ccc(NC(=O)[C@@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)cc1NC(=O)CC[NH+](C)C ZINC000183838552 496131593 /nfs/dbraw/zinc/13/15/93/496131593.db2.gz DYKYPCJYGJYYGY-IXDOHACOSA-N 2 0 374.529 3.085 20 0 FGADRP CC[C@@H]1C[N@H+](CC(=O)NC2CC[NH+](C(C)C)CC2)CC[C@@H]1c1ccccc1 ZINC000174889078 496151823 /nfs/dbraw/zinc/15/18/23/496151823.db2.gz FFUIKDPLJVZFBU-KNQAVFIVSA-N 2 0 371.569 3.491 20 0 FGADRP Cc1nn(C)cc1[C@H](C)[NH2+]CCCC[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000177759502 496184783 /nfs/dbraw/zinc/18/47/83/496184783.db2.gz UWSXWUFZVUOPMR-IBGZPJMESA-N 2 0 369.557 3.290 20 0 FGADRP CC[NH+](CC)C[C@H]1CCN(C(=O)c2ccccc2CC2CC[NH2+]CC2)C1 ZINC000569007869 505829159 /nfs/dbraw/zinc/82/91/59/505829159.db2.gz NJQWRUOADQRHQM-LJQANCHMSA-N 2 0 357.542 3.033 20 0 FGADRP COc1ccc(C[NH2+]CCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c(OC(F)F)c1 ZINC000172191863 496201640 /nfs/dbraw/zinc/20/16/40/496201640.db2.gz JCSORNDMQCKZNY-GASCZTMLSA-N 2 0 372.456 3.276 20 0 FGADRP C[C@@H](c1ccc(Br)cc1)[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000180945918 496212289 /nfs/dbraw/zinc/21/22/89/496212289.db2.gz RWFBOSBHSRYXKG-HNNXBMFYSA-N 2 0 368.363 3.468 20 0 FGADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)NCC2([NH+]3CCCCC3)CCCCC2)C1 ZINC000177841789 496218835 /nfs/dbraw/zinc/21/88/35/496218835.db2.gz OJBLLMXVFMBIDO-IBGZPJMESA-N 2 0 364.578 3.158 20 0 FGADRP C[N@H+](CCCNC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1)C1CCCCC1 ZINC000156342776 496220601 /nfs/dbraw/zinc/22/06/01/496220601.db2.gz MDBRNCFVIPOQLH-FQEVSTJZSA-N 2 0 364.578 3.301 20 0 FGADRP CC1(C)Cc2cc(C[NH2+]Cc3ccccc3C[N@@H+]3CC[C@@H](O)C3)ccc2O1 ZINC000180993998 496233114 /nfs/dbraw/zinc/23/31/14/496233114.db2.gz OMFCCWJRSUXREP-OAQYLSRUSA-N 2 0 366.505 3.257 20 0 FGADRP C[C@H]([NH2+]CCc1cn2c(n1)CCCC2)c1cccc(N2CCOC2=O)c1 ZINC000152735758 496240495 /nfs/dbraw/zinc/24/04/95/496240495.db2.gz ZSDSCTZEGDOLFH-HNNXBMFYSA-N 2 0 354.454 3.069 20 0 FGADRP CC[NH+]1CCN(Cc2ccc(C[NH2+][C@H](C)C3CCSCC3)cc2)CC1 ZINC000187016788 496253347 /nfs/dbraw/zinc/25/33/47/496253347.db2.gz MHWUJNBAHWNMSE-GOSISDBHSA-N 2 0 361.599 3.445 20 0 FGADRP Cc1ccccc1C[NH+]1CCC(NC(=O)C[NH2+]C2[C@@H](C)CCC[C@@H]2C)CC1 ZINC000574697535 505834435 /nfs/dbraw/zinc/83/44/35/505834435.db2.gz UYCYIHMXTJVPKB-OALUTQOASA-N 2 0 371.569 3.490 20 0 FGADRP C[C@@H](CC(=O)Nc1ccc(F)cc1)[NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000178034236 496298185 /nfs/dbraw/zinc/29/81/85/496298185.db2.gz MUVQGGHLJLQJAA-YESZJQIVSA-N 2 0 365.493 3.022 20 0 FGADRP C[C@H]([NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1ccc(-n2ccnc2)cc1 ZINC000178038664 496299490 /nfs/dbraw/zinc/29/94/90/496299490.db2.gz WLXHGXISGTYKTE-QRVBRYPASA-N 2 0 356.514 3.412 20 0 FGADRP Cc1cncc([C@H](C)[NH2+]CCCN2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000184275298 496315229 /nfs/dbraw/zinc/31/52/29/496315229.db2.gz LENOAJFJSUVXEK-FQEVSTJZSA-N 2 0 352.526 3.249 20 0 FGADRP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)c1cc(Br)ccc1F ZINC000178070833 496315668 /nfs/dbraw/zinc/31/56/68/496315668.db2.gz VSXYNODMGHWCIA-UKRRQHHQSA-N 2 0 373.310 3.476 20 0 FGADRP C[C@H]1C[C@@H](NC(=O)NCCC[NH+]2CCCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000175327919 496341399 /nfs/dbraw/zinc/34/13/99/496341399.db2.gz LTUUREQTPBJLGY-FPOVZHCZSA-N 2 0 372.557 3.215 20 0 FGADRP CCC[NH+]1CCN(c2ccccc2C[NH2+][C@H]2CCO[C@H](C3CC3)C2)CC1 ZINC000156849026 496347297 /nfs/dbraw/zinc/34/72/97/496347297.db2.gz UZNIANJRZBINJG-UNMCSNQZSA-N 2 0 357.542 3.266 20 0 FGADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+][C@@H]1CCN(c2ccccc2Br)C1 ZINC000162471328 496357913 /nfs/dbraw/zinc/35/79/13/496357913.db2.gz BPKYNMPBLQHKHR-ANQUJSFKSA-N 2 0 366.347 3.346 20 0 FGADRP CC[NH+](CC)[C@@H]1CCN(C(=O)NC2CC[NH+](Cc3ccccc3C)CC2)C1 ZINC000175393093 496371305 /nfs/dbraw/zinc/37/13/05/496371305.db2.gz AXNQGLLUZDINDX-OAQYLSRUSA-N 2 0 372.557 3.085 20 0 FGADRP C[C@@H]([NH2+]Cc1cccc(OCC[NH+](C)C)c1)c1ccc([S@@](C)=O)cc1 ZINC000162572904 496375477 /nfs/dbraw/zinc/37/54/77/496375477.db2.gz LDMGCMJSWIKJCN-CPJLOUKISA-N 2 0 360.523 3.215 20 0 FGADRP CN(c1ccccc1C[NH2+][C@@H]1CCO[C@H](C2CC2)C1)C1CC[NH+](C)CC1 ZINC000157096549 496404934 /nfs/dbraw/zinc/40/49/34/496404934.db2.gz DNCJQJFLWZULKL-KNQAVFIVSA-N 2 0 357.542 3.264 20 0 FGADRP C[C@@H](OC[C@H](O)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1)c1ccc(Cl)cc1 ZINC000162820521 496418626 /nfs/dbraw/zinc/41/86/26/496418626.db2.gz MEJMZKUHMRWOGG-RARDXLECSA-N 2 0 366.933 3.195 20 0 FGADRP C[NH+](C)[C@H](CNC(=O)NC1CC[NH+](C2CCCC2)CC1)c1cccs1 ZINC000175528832 496428017 /nfs/dbraw/zinc/42/80/17/496428017.db2.gz OLIMHRBDFFDGGS-QGZVFWFLSA-N 2 0 364.559 3.057 20 0 FGADRP CCO[C@H]1C[C@H]([NH2+]Cc2ccnc(N3CC[NH+](C)CC3)c2)C12CCCCC2 ZINC000181516199 496428700 /nfs/dbraw/zinc/42/87/00/496428700.db2.gz DNKXOKAVRQHLMY-PMACEKPBSA-N 2 0 372.557 3.051 20 0 FGADRP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N(C)CC1CC[NH+](C)CC1 ZINC000184556055 496437265 /nfs/dbraw/zinc/43/72/65/496437265.db2.gz RGZBTMFHGVBJLW-NRFANRHFSA-N 2 0 374.573 3.126 20 0 FGADRP CCC[N@H+](CC)CCNC(=O)NC[C@@H]1CCC[NH+](C)[C@@H]1c1cccs1 ZINC000175569822 496446962 /nfs/dbraw/zinc/44/69/62/496446962.db2.gz NQYNUFIGCJFZPZ-WMZOPIPTSA-N 2 0 366.575 3.162 20 0 FGADRP C[N@H+](CCNC(=O)NCc1cn2cc(Cl)ccc2n1)C1CCCCC1 ZINC000157410908 496471634 /nfs/dbraw/zinc/47/16/34/496471634.db2.gz GQJYEDSJOQCBMR-UHFFFAOYSA-N 2 0 363.893 3.051 20 0 FGADRP CC[NH+](CC)Cc1ccc(CNC(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)cc1 ZINC000175643397 496480360 /nfs/dbraw/zinc/48/03/60/496480360.db2.gz GUMGTNCQGQCJSQ-UXHICEINSA-N 2 0 360.546 3.200 20 0 FGADRP C[C@H](c1ccccc1F)[NH+]1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000157491644 496489104 /nfs/dbraw/zinc/48/91/04/496489104.db2.gz RZCVWIRIMWYETI-MRXNPFEDSA-N 2 0 363.521 3.303 20 0 FGADRP c1cc([C@H]2CCC[NH+](CCCCC[N@@H+]3CCC[C@H](c4cc[nH]n4)C3)C2)n[nH]1 ZINC000157606845 496513699 /nfs/dbraw/zinc/51/36/99/496513699.db2.gz PRDBDSPNYDBQTC-OALUTQOASA-N 2 0 370.545 3.362 20 0 FGADRP CC(C)C[C@@H]([NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1)c1ccccn1 ZINC000163495288 496522608 /nfs/dbraw/zinc/52/26/08/496522608.db2.gz HPGQUBBLOWINQM-HXUWFJFHSA-N 2 0 374.573 3.385 20 0 FGADRP CC(C)(C)NC(=O)C[NH+]1CCC(C[NH2+][C@H]2CCCOc3ccccc32)CC1 ZINC000163527551 496528548 /nfs/dbraw/zinc/52/85/48/496528548.db2.gz IEESJRNOHFPFQL-IBGZPJMESA-N 2 0 373.541 3.117 20 0 FGADRP CC[C@@H]([NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1)c1ccc(F)cc1 ZINC000163539066 496529104 /nfs/dbraw/zinc/52/91/04/496529104.db2.gz CWGLXGHLBPBATA-LJQANCHMSA-N 2 0 363.521 3.493 20 0 FGADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N2CCC[NH+](C3CCCC3)CC2)C1 ZINC000178735682 496554864 /nfs/dbraw/zinc/55/48/64/496554864.db2.gz NQRYCCPGDSIRBX-LJQANCHMSA-N 2 0 364.578 3.014 20 0 FGADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H]2CCCSc3ccc(OC)cc32)CC1 ZINC000187770675 496565621 /nfs/dbraw/zinc/56/56/21/496565621.db2.gz YLSASIPPLAKKQR-APWZRJJASA-N 2 0 363.571 3.238 20 0 FGADRP [NH3+][C@H](CC1CCCCC1)C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000569099714 505852893 /nfs/dbraw/zinc/85/28/93/505852893.db2.gz NJGMRUROHJSKBR-LJQANCHMSA-N 2 0 363.571 3.374 20 0 FGADRP CCS[C@@H]1CC[C@H]([N@H+](C)CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000184976474 496606750 /nfs/dbraw/zinc/60/67/50/496606750.db2.gz KUUZBQZJPCHVFG-OTWHNJEPSA-N 2 0 363.571 3.012 20 0 FGADRP C[C@@H]1C[N@@H+](CCC2CC[NH+](CCCC(=O)OC(C)(C)C)CC2)C[C@H](C)O1 ZINC000181967463 496617184 /nfs/dbraw/zinc/61/71/84/496617184.db2.gz ZOIZQPQZZWFNMU-HDICACEKSA-N 2 0 368.562 3.320 20 0 FGADRP Cc1ccccc1OCCC[NH+]1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000153903926 496618806 /nfs/dbraw/zinc/61/88/06/496618806.db2.gz SDWHPZMTNKVJCK-NHCUHLMSSA-N 2 0 359.558 3.254 20 0 FGADRP C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000158090064 496624978 /nfs/dbraw/zinc/62/49/78/496624978.db2.gz OCXIYGRTKZUUJX-NVXWUHKLSA-N 2 0 351.922 3.008 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)C[C@H](C)C1CC[NH2+]CC1)c1ccsc1 ZINC000164904402 496638545 /nfs/dbraw/zinc/63/85/45/496638545.db2.gz LSMXVTHATLYIHQ-YJBOKZPZSA-N 2 0 351.560 3.273 20 0 FGADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H](C)c2cccc(Br)c2)CC1 ZINC000173321630 496641785 /nfs/dbraw/zinc/64/17/85/496641785.db2.gz NBHPKHJTIYKJFZ-HUUCEWRRSA-N 2 0 354.336 3.126 20 0 FGADRP CCCN(C(=O)CC1CC[NH2+]CC1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000165495821 496659854 /nfs/dbraw/zinc/65/98/54/496659854.db2.gz LSIKZOGYXDLWCD-NRFANRHFSA-N 2 0 357.542 3.279 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)c3coc(C[NH3+])c3)cc2)C1 ZINC000188068250 496670323 /nfs/dbraw/zinc/67/03/23/496670323.db2.gz YYVVZKFOFUNMPC-IYBDPMFKSA-N 2 0 355.482 3.146 20 0 FGADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H]1CCc2cc(Br)ccc21 ZINC000165945673 496672687 /nfs/dbraw/zinc/67/26/87/496672687.db2.gz SKODXUIKBYXLSR-NVXWUHKLSA-N 2 0 355.320 3.383 20 0 FGADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H]1CCc2cc(Br)ccc21 ZINC000165945538 496672905 /nfs/dbraw/zinc/67/29/05/496672905.db2.gz SKODXUIKBYXLSR-DOTOQJQBSA-N 2 0 355.320 3.383 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N[C@@H]1CC[NH+](C)[C@@H]1c1ccccc1 ZINC000179122716 496682611 /nfs/dbraw/zinc/68/26/11/496682611.db2.gz QWTPADNXIWIOFR-HMXCVIKNSA-N 2 0 372.557 3.386 20 0 FGADRP CN(C)CC[NH+]1CCC(C[NH2+][C@H](C[C@@H]2CCOC2)c2ccccc2)CC1 ZINC000166500526 496687619 /nfs/dbraw/zinc/68/76/19/496687619.db2.gz FWETTZOYQDIWRA-RBBKRZOGSA-N 2 0 359.558 3.018 20 0 FGADRP CC(=O)Nc1ccc([C@@H](C)[NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)cc1 ZINC000182155857 496691018 /nfs/dbraw/zinc/69/10/18/496691018.db2.gz ZKWADCMPYIHWMF-LPTQZCDUSA-N 2 0 359.514 3.064 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21)c1ccccc1 ZINC000182215161 496709683 /nfs/dbraw/zinc/70/96/83/496709683.db2.gz IZKUSQWKBQIBTK-PCCBWWKXSA-N 2 0 372.557 3.195 20 0 FGADRP C[C@H]([NH2+]CCCC[NH+]1CCN(CCO)CC1)c1cccc(Cl)c1Cl ZINC000168898184 496712691 /nfs/dbraw/zinc/71/26/91/496712691.db2.gz FJDDSBSKBLUWPN-HNNXBMFYSA-N 2 0 374.356 3.034 20 0 FGADRP CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)[C@@H]1CCCCCC[C@H]1[NH3+] ZINC000574813936 505861375 /nfs/dbraw/zinc/86/13/75/505861375.db2.gz RNLYHGHEGDAFOV-NHCUHLMSSA-N 2 0 372.557 3.444 20 0 FGADRP CC[NH+](CC)Cc1ccccc1CNC(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21 ZINC000182254624 496720628 /nfs/dbraw/zinc/72/06/28/496720628.db2.gz HJUXFDIXFOCECR-LEWJYISDSA-N 2 0 372.557 3.154 20 0 FGADRP CCO[C@@H]1C[C@H]([NH2+]Cc2ccccc2C[N@@H+]2CC[C@H](O)C2)C12CCCC2 ZINC000182261687 496722870 /nfs/dbraw/zinc/72/28/70/496722870.db2.gz VJMVUIVUKALUPW-PCCBWWKXSA-N 2 0 358.526 3.081 20 0 FGADRP CCO[C@@H]1C[C@@H]([NH2+]Cc2ccccc2C[N@@H+]2CC[C@H](O)C2)C12CCCCC2 ZINC000182261806 496723046 /nfs/dbraw/zinc/72/30/46/496723046.db2.gz ZCAZHTKIXFDSLO-BHDDXSALSA-N 2 0 372.553 3.471 20 0 FGADRP CCc1nc2c(s1)[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)CCC2 ZINC000182264352 496723113 /nfs/dbraw/zinc/72/31/13/496723113.db2.gz DUUCYDUOGRJBQX-ROUUACIJSA-N 2 0 371.550 3.439 20 0 FGADRP O[C@H]1CC[N@H+](Cc2ccccc2C[NH2+][C@@H](Cc2ccccc2)C2CC2)C1 ZINC000182272949 496724218 /nfs/dbraw/zinc/72/42/18/496724218.db2.gz GDJLOJCLNFIAOA-GOTSBHOMSA-N 2 0 350.506 3.364 20 0 FGADRP C[NH+](C)[C@]1(CN[C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CCSC1 ZINC000580893249 505862851 /nfs/dbraw/zinc/86/28/51/505862851.db2.gz ZFYODAJTLKPZQE-FPOVZHCZSA-N 2 0 359.583 3.211 20 0 FGADRP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000247074098 496771164 /nfs/dbraw/zinc/77/11/64/496771164.db2.gz OSPHATGSVCMRKR-DUXKGJEZSA-N 2 0 372.557 3.384 20 0 FGADRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@@H](C)CS(=O)(=O)c1ccc(C)cc1 ZINC000273380733 496789017 /nfs/dbraw/zinc/78/90/17/496789017.db2.gz IBRCIZOCDJJWFR-MSOLQXFVSA-N 2 0 354.560 3.257 20 0 FGADRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@H](C)CS(=O)(=O)c1ccc(C)cc1 ZINC000273380737 496789206 /nfs/dbraw/zinc/78/92/06/496789206.db2.gz IBRCIZOCDJJWFR-QZTJIDSGSA-N 2 0 354.560 3.257 20 0 FGADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@H](c1ccc(Cl)cc1)N1CCOCC1 ZINC000247188637 496802089 /nfs/dbraw/zinc/80/20/89/496802089.db2.gz ZUJGPKCGSQKYOT-XNFNUYLZSA-N 2 0 365.949 3.032 20 0 FGADRP C[C@@H](C[NH2+][C@H]1CCN(Cc2ccccn2)C[C@H]1C)N(C)c1ccccc1 ZINC000247204545 496804822 /nfs/dbraw/zinc/80/48/22/496804822.db2.gz WMUADUQRSZWPJR-DXIQSLLYSA-N 2 0 352.526 3.407 20 0 FGADRP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)CC(=O)N(C)Cc2ccccc2Cl)C1 ZINC000247214114 496807180 /nfs/dbraw/zinc/80/71/80/496807180.db2.gz XEYQUTZCJKMYRF-SJORKVTESA-N 2 0 365.949 3.399 20 0 FGADRP Cc1nc2c(s1)[C@H]([N@@H+](C)CCCN1CC[NH+](C(C)C)CC1)CCC2 ZINC000191573092 496817308 /nfs/dbraw/zinc/81/73/08/496817308.db2.gz BEIQOWQLXILBNP-GOSISDBHSA-N 2 0 350.576 3.177 20 0 FGADRP C[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1)c1cccc(F)c1 ZINC000247382658 496847970 /nfs/dbraw/zinc/84/79/70/496847970.db2.gz FQFIRSPCZKVCGR-OXJNMPFZSA-N 2 0 369.484 3.374 20 0 FGADRP COc1ccc([C@@H](CNC(=O)CCCCCC[NH3+])[NH+]2CCCCC2)cc1 ZINC000269230565 496899849 /nfs/dbraw/zinc/89/98/49/496899849.db2.gz HLIVNBILHYTSES-HXUWFJFHSA-N 2 0 361.530 3.248 20 0 FGADRP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)c1cccc(OC(F)(F)F)c1 ZINC000247960622 496933439 /nfs/dbraw/zinc/93/34/39/496933439.db2.gz GELZVNWDINKVGG-ZBFHGGJFSA-N 2 0 360.420 3.473 20 0 FGADRP COc1ccc(CC[NH2+][C@@H]2CCN(Cc3ccccn3)C[C@H]2C)cc1OC ZINC000248044532 496947950 /nfs/dbraw/zinc/94/79/50/496947950.db2.gz UNMJMNVICGGGIG-YLJYHZDGSA-N 2 0 369.509 3.142 20 0 FGADRP C[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1)c1ccsc1 ZINC000248199695 496972239 /nfs/dbraw/zinc/97/22/39/496972239.db2.gz YGSUJCILAPENII-MAUKXSAKSA-N 2 0 357.523 3.296 20 0 FGADRP C[C@H](C[NH2+][C@@H]1CCN(Cc2ccccn2)C[C@H]1C)N(C)Cc1ccccc1 ZINC000248201564 496973243 /nfs/dbraw/zinc/97/32/43/496973243.db2.gz YXHUZGOZXVVCOC-TXTKFYIRSA-N 2 0 366.553 3.402 20 0 FGADRP C[C@H](NC(=O)NCCC[N@@H+]1CCCC[C@H]1C)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000248405121 496998756 /nfs/dbraw/zinc/99/87/56/496998756.db2.gz RBAYACPENMSGED-QYZOEREBSA-N 2 0 364.578 3.203 20 0 FGADRP c1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH2+]CCCO[C@@H]4CCOC4)[C@H]3C2)cc1 ZINC000248411146 497000611 /nfs/dbraw/zinc/00/06/11/497000611.db2.gz YWBAAWLCCCKGRQ-LRSLUSHPSA-N 2 0 358.526 3.072 20 0 FGADRP C[C@@H](CCNC(=O)NCCCC[N@@H+]1CCCC[C@H]1C)[NH+]1CCCCC1 ZINC000248429610 497009317 /nfs/dbraw/zinc/00/93/17/497009317.db2.gz AHFGJIALPXGYND-MOPGFXCFSA-N 2 0 352.567 3.205 20 0 FGADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+][C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1 ZINC000569211723 505879448 /nfs/dbraw/zinc/87/94/48/505879448.db2.gz BDJXCLWHEFDKNI-XYPHTWIQSA-N 2 0 357.420 3.414 20 0 FGADRP CC(=O)Nc1ccc([C@@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000248460028 497018693 /nfs/dbraw/zinc/01/86/93/497018693.db2.gz WDEJDLNZLODMRA-OPAMFIHVSA-N 2 0 367.493 3.062 20 0 FGADRP CCN(CCC[NH+](C)C)C(=O)NC[C@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC000189159626 497027640 /nfs/dbraw/zinc/02/76/40/497027640.db2.gz HKMIQPPDOZPUNN-HXUWFJFHSA-N 2 0 360.546 3.115 20 0 FGADRP C[C@H](CCNC(=O)N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)[NH+]1CCCCC1 ZINC000248506725 497028129 /nfs/dbraw/zinc/02/81/29/497028129.db2.gz WYLSDCXZSJXTIA-QYZOEREBSA-N 2 0 364.578 3.203 20 0 FGADRP CCC[N@H+](C)C[C@H]1CCN(C[C@@H](O)COc2cc(C)ccc2Cl)C1 ZINC000248546739 497035783 /nfs/dbraw/zinc/03/57/83/497035783.db2.gz DYDVITPJFDFXFN-IAGOWNOFSA-N 2 0 354.922 3.052 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)NCc2cn3ccccc3n2)C1 ZINC000265092344 497045868 /nfs/dbraw/zinc/04/58/68/497045868.db2.gz NATWBFYEUSQULC-MSOLQXFVSA-N 2 0 369.513 3.130 20 0 FGADRP C[C@@H](C(=O)Nc1ccccc1C(F)(F)F)[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000569222079 505882535 /nfs/dbraw/zinc/88/25/35/505882535.db2.gz LXVCPLOJPQYHNF-DZGCQCFKSA-N 2 0 369.431 3.354 20 0 FGADRP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)c1cc(Br)cs1 ZINC000248728050 497090868 /nfs/dbraw/zinc/09/08/68/497090868.db2.gz JPYDWCMIJOTVCO-JSGCOSHPSA-N 2 0 361.349 3.398 20 0 FGADRP Cc1ccc2cc(C[NH2+]Cc3ccnc(OCC[NH+](C)C)c3)ccc2n1 ZINC000189412434 497109743 /nfs/dbraw/zinc/10/97/43/497109743.db2.gz PWVXDHWPABQBQZ-UHFFFAOYSA-N 2 0 350.466 3.168 20 0 FGADRP CC1CC[NH+](C[C@H]2CCCN(C(=O)CC[C@@H]([NH3+])c3ccccc3)C2)CC1 ZINC000236628327 497123577 /nfs/dbraw/zinc/12/35/77/497123577.db2.gz JBMPVUYEZJNQOD-TZIWHRDSSA-N 2 0 357.542 3.437 20 0 FGADRP CC(C)[C@H](CNC(=O)C[C@@H]([NH3+])c1ccccc1)[N@@H+]1CCc2ccccc2C1 ZINC000236659625 497128303 /nfs/dbraw/zinc/12/83/03/497128303.db2.gz RLOASTBZRFSCAT-YADHBBJMSA-N 2 0 365.521 3.276 20 0 FGADRP C[C@H](Cc1ccc(Br)cc1)[NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000236711671 497135748 /nfs/dbraw/zinc/13/57/48/497135748.db2.gz CCZNXYYVWCLIEK-CRAIPNDOSA-N 2 0 369.347 3.063 20 0 FGADRP C[C@@H](Cc1ccc(Br)cc1)[NH2+]C[C@H](O)C[NH+]1CCC(C)CC1 ZINC000236708813 497136458 /nfs/dbraw/zinc/13/64/58/497136458.db2.gz CCZNXYYVWCLIEK-YJBOKZPZSA-N 2 0 369.347 3.063 20 0 FGADRP C[NH+](C)CCOc1ccc(C[NH2+]Cc2ccc(Br)o2)cc1 ZINC000189510809 497144182 /nfs/dbraw/zinc/14/41/82/497144182.db2.gz RKZGMHGXSNQKTC-UHFFFAOYSA-N 2 0 353.260 3.272 20 0 FGADRP C[C@H]([NH2+]CCCN1CCC[N@H+](C)CC1)c1cc(Cl)c(N)c(Cl)c1 ZINC000270531298 497145900 /nfs/dbraw/zinc/14/59/00/497145900.db2.gz UXGPZTHVOXFLQD-ZDUSSCGKSA-N 2 0 359.345 3.254 20 0 FGADRP CCN(C(=O)NC[C@H](C)C[NH+]1CCCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000249299959 497190548 /nfs/dbraw/zinc/19/05/48/497190548.db2.gz NZQWBIITBPLXBR-FPOVZHCZSA-N 2 0 372.557 3.024 20 0 FGADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)NCCC[NH+]2CCCC[C@H]2C)C1 ZINC000249336985 497192199 /nfs/dbraw/zinc/19/21/99/497192199.db2.gz ZLDWUDJGWDRLSB-RTBURBONSA-N 2 0 352.567 3.062 20 0 FGADRP Cc1ccc(OC2CC[NH+](CCCN3CC[NH+](C(C)C)CC3)CC2)cc1 ZINC000192742240 497201388 /nfs/dbraw/zinc/20/13/88/497201388.db2.gz KBBYUGBOGZVFHG-UHFFFAOYSA-N 2 0 359.558 3.254 20 0 FGADRP C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)[C@@H]([NH3+])c2ccccc2)CC1 ZINC000237192514 497203059 /nfs/dbraw/zinc/20/30/59/497203059.db2.gz SJVGBQJHNARPBY-NRFANRHFSA-N 2 0 351.494 3.057 20 0 FGADRP COC(=O)c1ccc(CN(C)C[C@@H]2CC[N@H+](Cc3ccc(C)s3)C2)nc1 ZINC000581015029 505890908 /nfs/dbraw/zinc/89/09/08/505890908.db2.gz SVBLMOBQQDBXIZ-INIZCTEOSA-N 2 0 373.522 3.192 20 0 FGADRP C[C@H]([NH3+])c1ccc(C(=O)Nc2cccc(C[NH+]3CCC(CO)CC3)c2)cc1 ZINC000581014199 505891093 /nfs/dbraw/zinc/89/10/93/505891093.db2.gz RDHCLEFHVFZLAH-INIZCTEOSA-N 2 0 367.493 3.163 20 0 FGADRP CC(C)N1CCC[C@@H]([NH2+]C2[C@H](C)C[NH+](Cc3ccccc3)C[C@H]2C)C1=O ZINC000192781791 497213357 /nfs/dbraw/zinc/21/33/57/497213357.db2.gz KQGDYCXSPFXYKB-QWFCFKBJSA-N 2 0 357.542 3.132 20 0 FGADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000189700825 497216803 /nfs/dbraw/zinc/21/68/03/497216803.db2.gz CXFMKYGDDTUKRK-UHFFFAOYSA-N 2 0 360.546 3.153 20 0 FGADRP C[NH+](C)CCCC1CCN(C(=O)NC[C@@H](c2ccsc2)[NH+](C)C)CC1 ZINC000270873566 497219000 /nfs/dbraw/zinc/21/90/00/497219000.db2.gz CNQOHXKCHANNOT-SFHVURJKSA-N 2 0 366.575 3.114 20 0 FGADRP C[NH+](C)CCCC1CCN(C(=O)C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000270922879 497226761 /nfs/dbraw/zinc/22/67/61/497226761.db2.gz FMJHWTNTMJTPAF-UHFFFAOYSA-N 2 0 371.569 3.479 20 0 FGADRP CC(C)[NH+]1CCN(C2CC[NH+](CCOc3cccc(Cl)c3)CC2)CC1 ZINC000270940522 497230194 /nfs/dbraw/zinc/23/01/94/497230194.db2.gz RLICWRKTSRSNQV-UHFFFAOYSA-N 2 0 365.949 3.209 20 0 FGADRP C[C@H](CC[NH+](C)C)NCc1nc(-c2cccc(Br)c2)c[nH]1 ZINC000237447525 497237887 /nfs/dbraw/zinc/23/78/87/497237887.db2.gz OEJYSFTXZNWFBT-GFCCVEGCSA-N 2 0 351.292 3.269 20 0 FGADRP C[C@H](C(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1)[C@@H]([NH3+])c1ccccc1 ZINC000237456272 497239949 /nfs/dbraw/zinc/23/99/49/497239949.db2.gz UXWUQGRCNAXCNB-DZFGPLHGSA-N 2 0 351.494 3.276 20 0 FGADRP C[NH+]1CCC(C[NH2+][C@H]2CCCNc3ccccc32)(N2CCCCC2)CC1 ZINC000192906825 497243340 /nfs/dbraw/zinc/24/33/40/497243340.db2.gz MDVXHJFUKUXJTH-NRFANRHFSA-N 2 0 356.558 3.473 20 0 FGADRP C[C@H](CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)[C@@H]1CCC[NH2+]C1 ZINC000237573479 497256880 /nfs/dbraw/zinc/25/68/80/497256880.db2.gz VUVZPHZVJQGVIF-SJLPKXTDSA-N 2 0 361.555 3.200 20 0 FGADRP C[C@@H]1C[C@H](CCNC(=O)C[C@@H]([NH3+])c2ccccc2)C[N@@H+]1Cc1ccccc1 ZINC000578235776 505894571 /nfs/dbraw/zinc/89/45/71/505894571.db2.gz XNYKBLANJXVWBD-KAGYGMCKSA-N 2 0 365.521 3.493 20 0 FGADRP C[C@@]1(C(=O)NCCCC[NH+]2CCC(Cc3ccccc3)CC2)CCC[NH2+]C1 ZINC000237578108 497257984 /nfs/dbraw/zinc/25/79/84/497257984.db2.gz BUXQYUAUJLYXRD-HSZRJFAPSA-N 2 0 371.569 3.227 20 0 FGADRP C[C@@H](C(=O)NCc1ccc(N2CCCCCC2)nc1)[C@H]([NH3+])c1ccccc1 ZINC000237713740 497280106 /nfs/dbraw/zinc/28/01/06/497280106.db2.gz HAHOBKOLGSILNH-UTKZUKDTSA-N 2 0 366.509 3.414 20 0 FGADRP CC(C)[NH+]1CCN(C2CC[NH+](Cc3c[nH]nc3-c3ccccc3)CC2)CC1 ZINC000271184546 497284032 /nfs/dbraw/zinc/28/40/32/497284032.db2.gz DHSZVEFSHQXHKD-UHFFFAOYSA-N 2 0 367.541 3.067 20 0 FGADRP C[NH+]1CCC(N2CCC([NH2+]Cc3cnc(-c4ccco4)s3)CC2)CC1 ZINC000193071398 497293576 /nfs/dbraw/zinc/29/35/76/497293576.db2.gz WWCNHRBLOJJPCH-UHFFFAOYSA-N 2 0 360.527 3.051 20 0 FGADRP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)NC[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000252111558 497297716 /nfs/dbraw/zinc/29/77/16/497297716.db2.gz JQENCAGHMIWAES-SFHLNBCPSA-N 2 0 374.573 3.347 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)NCCC2CC[NH+](C)CC2)C1 ZINC000252441611 497298890 /nfs/dbraw/zinc/29/88/90/497298890.db2.gz NPXMDFNFIQYOPI-UYAOXDASSA-N 2 0 364.578 3.014 20 0 FGADRP CC[N@H+](C)Cc1cccc(C[NH2+]Cc2cc(OC)ccc2OCOC)c1 ZINC000271256615 497305210 /nfs/dbraw/zinc/30/52/10/497305210.db2.gz YGJACFMZZHCFOT-UHFFFAOYSA-N 2 0 358.482 3.419 20 0 FGADRP O=C(NCc1ccccc1C[NH+]1CCCCC1)[C@H]1Cc2ccccc2C[NH2+]1 ZINC000238030076 497330187 /nfs/dbraw/zinc/33/01/87/497330187.db2.gz CCXZZBBCWRTQDY-JOCHJYFZSA-N 2 0 363.505 3.003 20 0 FGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(O)c(OCC)c2)[C@@H](C)C1 ZINC000271455728 497353285 /nfs/dbraw/zinc/35/32/85/497353285.db2.gz JEISOAWYHUSSBI-FUHWJXTLSA-N 2 0 350.503 3.018 20 0 FGADRP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)NC[C@H](Cc1ccccc1)[NH+](C)C ZINC000255839681 497375853 /nfs/dbraw/zinc/37/58/53/497375853.db2.gz AXENATINCZPQNG-FPOVZHCZSA-N 2 0 374.573 3.113 20 0 FGADRP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@H]2O)CC1)c1ccc(OC(F)F)cc1 ZINC000271564375 497384293 /nfs/dbraw/zinc/38/42/93/497384293.db2.gz XNWHUWVIQLWEAO-DOPJRALCSA-N 2 0 354.441 3.316 20 0 FGADRP CCCN(CCC[NH+](C)C)C(=O)N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000190211802 497400968 /nfs/dbraw/zinc/40/09/68/497400968.db2.gz UPTHUHFDENMWNO-ROUUACIJSA-N 2 0 352.567 3.013 20 0 FGADRP CCC[N@H+](C)C[C@@H]1CCN([C@H](C)C(=O)N2CCC[C@@H]2c2cccs2)C1 ZINC000245433792 497403718 /nfs/dbraw/zinc/40/37/18/497403718.db2.gz PJXNPTGPNAHFBX-FGTMMUONSA-N 2 0 363.571 3.464 20 0 FGADRP C[NH+](C)CCc1ccccc1NC(=O)NCC[N@H+](C)Cc1ccc(F)cc1 ZINC000275691704 497404537 /nfs/dbraw/zinc/40/45/37/497404537.db2.gz RMIATCPROMSVIX-UHFFFAOYSA-N 2 0 372.488 3.183 20 0 FGADRP C[C@H](NC(=O)C[C@H]([NH3+])c1ccccc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261573989 497415938 /nfs/dbraw/zinc/41/59/38/497415938.db2.gz AXSSDISZINDFGF-YYWHXJBOSA-N 2 0 351.494 3.103 20 0 FGADRP C[C@@H]1CC[N@H+](Cc2cn(C3CCCC3)nc2-c2ccccn2)C[C@H]1C[NH3+] ZINC000575021399 505906300 /nfs/dbraw/zinc/90/63/00/505906300.db2.gz CHXODYVNGLCXMF-IAGOWNOFSA-N 2 0 353.514 3.477 20 0 FGADRP CCCN(C(=O)CC[C@H]1CC[NH2+]C1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000261677038 497432018 /nfs/dbraw/zinc/43/20/18/497432018.db2.gz BCOSEIXRQKQMIZ-FPOVZHCZSA-N 2 0 357.542 3.279 20 0 FGADRP O=C(Nc1ccc2c(c1F)CC[NH2+]C2)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000261772679 497448163 /nfs/dbraw/zinc/44/81/63/497448163.db2.gz RNWVQHSGWFXKJO-SFHVURJKSA-N 2 0 367.468 3.322 20 0 FGADRP C[NH+](C)Cc1cccc(NC(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)c1 ZINC000245619016 497476416 /nfs/dbraw/zinc/47/64/16/497476416.db2.gz DPEFMSKINHCSCZ-VQTJNVASSA-N 2 0 352.482 3.315 20 0 FGADRP CC(=O)N1CCC(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC000245646541 497487412 /nfs/dbraw/zinc/48/74/12/497487412.db2.gz BRZNHIKONZOHJA-DKUWSORSSA-N 2 0 355.526 3.030 20 0 FGADRP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]CCCOC[C@@H]2CCCO2)C3)cc1 ZINC000245650377 497488624 /nfs/dbraw/zinc/48/86/24/497488624.db2.gz CIJIRKCQZYAJNI-LRSLUSHPSA-N 2 0 358.526 3.357 20 0 FGADRP CC(C)[C@H](CNC(=O)NC1CC[NH+](C(C)(C)C)CC1)[NH+]1CCC(C)CC1 ZINC000193842018 497499413 /nfs/dbraw/zinc/49/94/13/497499413.db2.gz MJWXYSGMBOERLL-IBGZPJMESA-N 2 0 366.594 3.305 20 0 FGADRP C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)NC2CC[NH+](C(C)(C)C)CC2)C1 ZINC000193846580 497500279 /nfs/dbraw/zinc/50/02/79/497500279.db2.gz HFLKUFWXIWHLSI-IRXDYDNUSA-N 2 0 366.594 3.305 20 0 FGADRP Fc1cc(F)cc(Oc2ccc(C[N@@H+]3CC[C@@H](N4CC[NH2+]CC4)C3)cc2)c1 ZINC000262086843 497505753 /nfs/dbraw/zinc/50/57/53/497505753.db2.gz GEPBKPDWBKCLCO-LJQANCHMSA-N 2 0 373.447 3.237 20 0 FGADRP Fc1cccc(Oc2ccc(C[N@@H+]3CC[C@H](N4CC[NH2+]CC4)C3)cc2)c1 ZINC000262082871 497506090 /nfs/dbraw/zinc/50/60/90/497506090.db2.gz FOKZHMVXXCHOGN-IBGZPJMESA-N 2 0 355.457 3.098 20 0 FGADRP C[C@@H]1C[C@H](NC(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000262261724 497531389 /nfs/dbraw/zinc/53/13/89/497531389.db2.gz JLXOJAMMAFNCGQ-FXTMCPBRSA-N 2 0 369.553 3.309 20 0 FGADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H]1CCc2ccc(Br)cc21 ZINC000193989577 497540784 /nfs/dbraw/zinc/54/07/84/497540784.db2.gz HSNRGFIZDRQCCL-RDJZCZTQSA-N 2 0 355.320 3.383 20 0 FGADRP O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)[C@]12C[NH2+]C[C@@H]1CCCC2 ZINC000262342902 497542985 /nfs/dbraw/zinc/54/29/85/497542985.db2.gz FSJYFJRMQADADB-RBBKRZOGSA-N 2 0 355.526 3.069 20 0 FGADRP CCCN(C(=O)[C@H]1CC[NH2+][C@@H](C)C1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000262357591 497543995 /nfs/dbraw/zinc/54/39/95/497543995.db2.gz JQHZDNMWFSFZEG-SESVDKBCSA-N 2 0 357.542 3.278 20 0 FGADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])C1 ZINC000262394113 497549298 /nfs/dbraw/zinc/54/92/98/497549298.db2.gz ZCJKYPOTVTUFPH-VYIBBNTISA-N 2 0 355.526 3.092 20 0 FGADRP C[C@H]1C[C@@H](C(=O)N2CC[N@H+](Cc3ccccc3)C3(CCCCC3)C2)CC[NH2+]1 ZINC000262416336 497552620 /nfs/dbraw/zinc/55/26/20/497552620.db2.gz PYZAXSBVWVMHMU-FPOVZHCZSA-N 2 0 369.553 3.422 20 0 FGADRP C[C@@H]1CC[N@H+](CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)C[C@H]1C ZINC000245890353 497562296 /nfs/dbraw/zinc/56/22/96/497562296.db2.gz JNRZNKJDOGMDRH-IAGOWNOFSA-N 2 0 361.555 3.152 20 0 FGADRP CCO[C@@H]1C[C@H]([NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)C12CCCCC2 ZINC000245901374 497563998 /nfs/dbraw/zinc/56/39/98/497563998.db2.gz NXBAUEMWBHVTOS-YZGWKJHDSA-N 2 0 350.547 3.205 20 0 FGADRP CC[NH+](CC)CCN(Cc1cccs1)C(=O)C[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000262631507 497587766 /nfs/dbraw/zinc/58/77/66/497587766.db2.gz FLODNNMGJVQKAG-QZTJIDSGSA-N 2 0 365.587 3.444 20 0 FGADRP Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000262632167 497587860 /nfs/dbraw/zinc/58/78/60/497587860.db2.gz FRKOFLUZROJZAM-AHRSYUTCSA-N 2 0 373.566 3.403 20 0 FGADRP O=C(NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000262665402 497594622 /nfs/dbraw/zinc/59/46/22/497594622.db2.gz JJGKGOVOHFWPNB-QCGZVJTDSA-N 2 0 367.537 3.219 20 0 FGADRP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@H]([NH3+])c1ccc(C)cc1 ZINC000262687538 497600722 /nfs/dbraw/zinc/60/07/22/497600722.db2.gz YIQZFLSURXVQAY-IFMALSPDSA-N 2 0 365.521 3.365 20 0 FGADRP CC[C@@H](C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1)[NH+](CC)CC ZINC000569371744 505918985 /nfs/dbraw/zinc/91/89/85/505918985.db2.gz FAZUHPNFUILZSO-IBGZPJMESA-N 2 0 363.571 3.337 20 0 FGADRP C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)[C@](C)([NH3+])c3ccccc3)cc2)C1 ZINC000262851583 497637614 /nfs/dbraw/zinc/63/76/14/497637614.db2.gz KDBVEYOSGONOHG-FDDCHVKYSA-N 2 0 365.521 3.409 20 0 FGADRP CCC[C@H](NC(=O)[C@H](C)N1CC[C@@H](C[NH+]2CCCC2)C1)c1ccccc1 ZINC000246168165 497645496 /nfs/dbraw/zinc/64/54/96/497645496.db2.gz IQEUNOOWEIREAF-ZJOUEHCJSA-N 2 0 357.542 3.450 20 0 FGADRP CC[N@H+](CCC1CC[NH+](Cc2cc(C(=O)OC)n(C)c2)CC1)CC(C)C ZINC000572231635 505920415 /nfs/dbraw/zinc/92/04/15/505920415.db2.gz WUGKRNRXUWDGLG-UHFFFAOYSA-N 2 0 363.546 3.392 20 0 FGADRP C[NH+](C)CCN(Cc1ccco1)C(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000268029932 497662352 /nfs/dbraw/zinc/66/23/52/497662352.db2.gz XJNSFYQYGUYMNS-UHFFFAOYSA-N 2 0 355.482 3.079 20 0 FGADRP CCc1ccc([C@H](C)NC(=O)[C@@H](C)N2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000246222627 497666328 /nfs/dbraw/zinc/66/63/28/497666328.db2.gz QXWAXUDIBQJUMI-NSHGMRRFSA-N 2 0 357.542 3.232 20 0 FGADRP C[NH+](C)Cc1ccsc1C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000268051505 497668285 /nfs/dbraw/zinc/66/82/85/497668285.db2.gz VKNGXWNKBSLDQZ-GOSISDBHSA-N 2 0 371.550 3.104 20 0 FGADRP CCC[N@H+](C)C[C@@H]1CCN([C@H](C)C(=O)N2c3ccccc3CC[C@@H]2C)C1 ZINC000246232661 497669725 /nfs/dbraw/zinc/66/97/25/497669725.db2.gz QKSANHOUPMHWOI-OTWHNJEPSA-N 2 0 357.542 3.407 20 0 FGADRP C[C@@H](CC(=O)N1CCC(C[N@H+](C)Cc2ccccc2)CC1)[C@H]1CCC[NH2+]C1 ZINC000246281461 497682214 /nfs/dbraw/zinc/68/22/14/497682214.db2.gz MORPGMHUCYPVBE-UGKGYDQZSA-N 2 0 371.569 3.383 20 0 FGADRP C[C@]1([NH3+])CCCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000263028830 497685337 /nfs/dbraw/zinc/68/53/37/497685337.db2.gz RQAWLWHKETUSTM-CLVLRRQTSA-N 2 0 355.526 3.206 20 0 FGADRP COC(=O)c1csc(-c2cccc(C[NH2+][C@H]3CC[N@H+](C)[C@@H](C)C3)c2)n1 ZINC000276979252 497705715 /nfs/dbraw/zinc/70/57/15/497705715.db2.gz YZMJPLWHCCUQKN-BBRMVZONSA-N 2 0 359.495 3.169 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N[C@@H](C)C1=CC[N@H+](C)CC1)c1ccsc1 ZINC000272705717 497707705 /nfs/dbraw/zinc/70/77/05/497707705.db2.gz GMUJLTCWMLYYCA-MAUKXSAKSA-N 2 0 364.559 3.081 20 0 FGADRP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCCCn1c(C)nc2ccccc21 ZINC000246425098 497729256 /nfs/dbraw/zinc/72/92/56/497729256.db2.gz SSFIZBKJWZFVAR-MSOLQXFVSA-N 2 0 369.513 3.003 20 0 FGADRP CC[C@H](C)[C@H](C)NC(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000246433701 497733200 /nfs/dbraw/zinc/73/32/00/497733200.db2.gz INRCMYSZLJTVAM-XEYPJELSSA-N 2 0 366.594 3.400 20 0 FGADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)N2CCC[C@H]2C[NH+]2CCCCC2)C1 ZINC000246438673 497734517 /nfs/dbraw/zinc/73/45/17/497734517.db2.gz NSGDMPJWBDHUGM-UXHICEINSA-N 2 0 364.578 3.158 20 0 FGADRP C[C@H](c1ccc(F)cc1)N(C)C(=O)CN1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246448036 497737346 /nfs/dbraw/zinc/73/73/46/497737346.db2.gz DSJZQAPRPDCIRM-PLMTUMEDSA-N 2 0 373.516 3.294 20 0 FGADRP C[C@@H]1C[C@@H](NC(=O)N(C)CC[C@H]2CCCC[NH+]2C)C[N@@H+]1Cc1ccccc1 ZINC000246515036 497760049 /nfs/dbraw/zinc/76/00/49/497760049.db2.gz KBBLEVXWIPYYMP-HMXCVIKNSA-N 2 0 372.557 3.165 20 0 FGADRP CC(C)[N@@H+]1[C@@H]2CC[C@H]1CN(C(=O)NC[C@H](C)[NH+](C)Cc1ccccc1)CC2 ZINC000246533981 497766565 /nfs/dbraw/zinc/76/65/65/497766565.db2.gz XWRSUFJVMURFEX-TYPHKJRUSA-N 2 0 372.557 3.164 20 0 FGADRP Cc1ccccc1NC(=O)C[C@H](C)[NH2+]CCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000246864618 497817327 /nfs/dbraw/zinc/81/73/27/497817327.db2.gz CELDILCCWVKBCH-FHWLQOOXSA-N 2 0 361.530 3.191 20 0 FGADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)C1 ZINC000246904458 497819528 /nfs/dbraw/zinc/81/95/28/497819528.db2.gz HCMWNKDSFLNFAD-QZTJIDSGSA-N 2 0 354.583 3.164 20 0 FGADRP C[C@H](C(=O)N1c2ccccc2C[C@@H]1C)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246929414 497820781 /nfs/dbraw/zinc/82/07/81/497820781.db2.gz SYOKKSGXBONFID-ZDWTUXFCSA-N 2 0 367.537 3.301 20 0 FGADRP Cc1cc(C[NH2+]C[C@H]2CC[N@@H+](C)[C@H]2c2ccccc2)ccc1-n1cncn1 ZINC000364296395 497885862 /nfs/dbraw/zinc/88/58/62/497885862.db2.gz BWUBIUZTEQNGLV-IRLDBZIGSA-N 2 0 361.493 3.358 20 0 FGADRP C[C@@H]([NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1)c1ccc(F)c2ccccc21 ZINC000575214177 505943522 /nfs/dbraw/zinc/94/35/22/505943522.db2.gz YRMXVTAGDRVWOE-OAHLLOKOSA-N 2 0 369.484 3.373 20 0 FGADRP CCCC[N@H+](C)C[C@H](C)NC(=O)NCCCn1c(C)nc2ccccc21 ZINC000578476389 505948746 /nfs/dbraw/zinc/94/87/46/505948746.db2.gz NYMWASMJWFBYMJ-INIZCTEOSA-N 2 0 359.518 3.154 20 0 FGADRP Cc1nn(-c2cc[nH+]cc2)cc1CN[C@@H](C[NH+](C)C)c1ccc(F)cc1 ZINC000569498855 505949690 /nfs/dbraw/zinc/94/96/90/505949690.db2.gz FXGIOJXMXSZKJO-FQEVSTJZSA-N 2 0 353.445 3.107 20 0 FGADRP Cc1c([C@H](C)[NH2+]C[C@H]2CCCN(C)[C@@H]2c2cnn(C)c2)cnn1C(C)(C)C ZINC000364437635 497957610 /nfs/dbraw/zinc/95/76/10/497957610.db2.gz DFYVIFPMKMHTCL-VPWXQRGCSA-N 2 0 372.561 3.414 20 0 FGADRP C[C@@H](CC(=O)N1CCN(Cc2ccccc2Cl)CC1)[C@H]1CCC[NH2+]C1 ZINC000572400821 505959660 /nfs/dbraw/zinc/95/96/60/505959660.db2.gz CLEBUDUQFJJYBW-IRXDYDNUSA-N 2 0 363.933 3.010 20 0 FGADRP C[C@H]([NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1cncc(Br)c1 ZINC000578523919 505960974 /nfs/dbraw/zinc/96/09/74/505960974.db2.gz VLQYBRRDMKKGOC-KFWWJZLASA-N 2 0 370.335 3.384 20 0 FGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](c1ccc(OC(C)C)cc1)[NH+](C)C ZINC000581329766 505962465 /nfs/dbraw/zinc/96/24/65/505962465.db2.gz FBNBBAWCXSAUSD-VQTJNVASSA-N 2 0 361.530 3.067 20 0 FGADRP C[C@H](C[NH2+][C@@H](C)Cc1cccc(C(F)(F)F)c1)CN1CC[NH+](C)CC1 ZINC000281088646 498016115 /nfs/dbraw/zinc/01/61/15/498016115.db2.gz AFHIMSJVTRWMEX-CVEARBPZSA-N 2 0 357.464 3.110 20 0 FGADRP C[C@@H](C[NH2+][C@@H](C)Cc1cccc(C(F)(F)F)c1)CN1CC[NH+](C)CC1 ZINC000281088651 498016623 /nfs/dbraw/zinc/01/66/23/498016623.db2.gz AFHIMSJVTRWMEX-HOTGVXAUSA-N 2 0 357.464 3.110 20 0 FGADRP CC(C)c1nc2c([nH]1)C[C@H](C(=O)N[C@@H](C[NH+](C)C)c1ccccc1)CC2 ZINC000364563062 498024639 /nfs/dbraw/zinc/02/46/39/498024639.db2.gz CRWBBRDZGHJISG-APWZRJJASA-N 2 0 354.498 3.057 20 0 FGADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+]CCN2CC[NH+](C)C(C)(C)C2)CC1 ZINC000285348782 498059082 /nfs/dbraw/zinc/05/90/82/498059082.db2.gz VCGIUFQMFODWFR-UHFFFAOYSA-N 3 0 372.601 3.045 20 0 FGADRP Oc1cccc2c1CCC[C@H]2[NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000285358781 498062592 /nfs/dbraw/zinc/06/25/92/498062592.db2.gz VOAAOCFEJOJSQH-WIYYLYMNSA-N 2 0 352.478 3.126 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)Nc2cccc3c2CC[NH2+]C3)C1 ZINC000572464972 505975183 /nfs/dbraw/zinc/97/51/83/505975183.db2.gz VUPILOQFXCPOGK-IYBDPMFKSA-N 2 0 358.530 3.210 20 0 FGADRP CC[C@H](C)[NH2+][C@H](CNC(=O)N1CCC[N@@H+](C(C)(C)C)CC1)c1ccco1 ZINC000572511959 505986700 /nfs/dbraw/zinc/98/67/00/505986700.db2.gz IQYNNZKZTPUIHW-DLBZAZTESA-N 2 0 364.534 3.225 20 0 FGADRP Cc1ccc2cc(C[NH+]3CCC(C[NH+]4CCN(C)CC4)CC3)ccc2n1 ZINC000289463340 498156383 /nfs/dbraw/zinc/15/63/83/498156383.db2.gz ORKSSPDCCFZIMS-UHFFFAOYSA-N 2 0 352.526 3.003 20 0 FGADRP CCC[N@H+](C)[C@H](CNC(=O)NC[C@@H]1CCC[NH+]1C)c1ccc(Cl)cc1 ZINC000578660274 505991659 /nfs/dbraw/zinc/99/16/59/505991659.db2.gz YTMOEWUOQUGAOA-ZWKOTPCHSA-N 2 0 366.937 3.116 20 0 FGADRP COC(=O)c1cc2c(o1)c(OC)ccc2C[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000569693487 505995489 /nfs/dbraw/zinc/99/54/89/505995489.db2.gz OILITPWIXBYUKD-HUUCEWRRSA-N 2 0 372.465 3.050 20 0 FGADRP C[C@@H]([NH2+]Cc1ccccc1-c1ccc(C[NH+](C)C)cc1)c1ccc(=O)[nH]n1 ZINC000285791417 498201394 /nfs/dbraw/zinc/20/13/94/498201394.db2.gz UTOISRHWWAKOFN-MRXNPFEDSA-N 2 0 362.477 3.349 20 0 FGADRP C[N@@H+]1CC[C@H](NC(=O)c2ccc(C[NH+]3CCCC3)cc2)[C@H]1c1ccccc1 ZINC000569701028 505996789 /nfs/dbraw/zinc/99/67/89/505996789.db2.gz QJBPXSUOFMEZEE-FCHUYYIVSA-N 2 0 363.505 3.458 20 0 FGADRP CN1CC[NH+](CC2(C)CCN(c3cc[nH+]c4cc(F)ccc43)CC2)CC1 ZINC000364944815 498221888 /nfs/dbraw/zinc/22/18/88/498221888.db2.gz PAJCRHDESVAIIF-UHFFFAOYSA-N 2 0 356.489 3.228 20 0 FGADRP COCCOCc1ccc(C[NH2+]Cc2ccc(OCC[NH+](C)C)cc2)cc1 ZINC000289708997 498258669 /nfs/dbraw/zinc/25/86/69/498258669.db2.gz LCCVMYXPOFHKDE-UHFFFAOYSA-N 2 0 372.509 3.080 20 0 FGADRP c1c[nH]c([C@@H](NC[C@H]2CCC[N@H+]2CCc2ccccc2)c2ccncc2)n1 ZINC000365062836 498278837 /nfs/dbraw/zinc/27/88/37/498278837.db2.gz APHVFIKPSXKFLE-RTWAWAEBSA-N 2 0 361.493 3.191 20 0 FGADRP COc1ccc2c(c1F)CC[C@H]2[NH2+]Cc1ccncc1OCCC[NH+](C)C ZINC000289834746 498315562 /nfs/dbraw/zinc/31/55/62/498315562.db2.gz APOATGJQUVLILY-GOSISDBHSA-N 2 0 373.472 3.337 20 0 FGADRP Cc1nccn1CCCC[NH2+][C@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)cc1 ZINC000365190625 498342914 /nfs/dbraw/zinc/34/29/14/498342914.db2.gz IAKFSAGAZZUHJZ-HKUYNNGSSA-N 2 0 360.889 3.187 20 0 FGADRP O[C@@H](C[NH2+]C1CC[NH+](CC2CC2)CC1)COc1c(Cl)cccc1Cl ZINC000575862180 506020157 /nfs/dbraw/zinc/02/01/57/506020157.db2.gz WBIYQFQACVXPLN-HNNXBMFYSA-N 2 0 373.324 3.197 20 0 FGADRP C[C@H]([NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(Br)nc1 ZINC000289969649 498376093 /nfs/dbraw/zinc/37/60/93/498376093.db2.gz XJFKWRVNLWFSNH-ZNMIVQPWSA-N 2 0 370.335 3.384 20 0 FGADRP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000575897663 506028805 /nfs/dbraw/zinc/02/88/05/506028805.db2.gz CQARHLHAXVCNIE-PGRDOPGGSA-N 2 0 372.557 3.250 20 0 FGADRP Cn1c(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)nc2cc(Cl)ccc21 ZINC000297356876 498418145 /nfs/dbraw/zinc/41/81/45/498418145.db2.gz FLWSAGLUAYJUHG-UHFFFAOYSA-N 2 0 355.873 3.380 20 0 FGADRP Cc1cc([C@H](C)[NH2+]C[C@@H](C)N2CC[NH+](C)CC2)sc1Br ZINC000286562311 498435712 /nfs/dbraw/zinc/43/57/12/498435712.db2.gz PCOFQYVXSQCANV-OLZOCXBDSA-N 2 0 360.365 3.106 20 0 FGADRP OC[C@H]1CCC[N@@H+]1CCCC[NH2+][C@H]1CCc2sc(Br)cc21 ZINC000293679529 498451717 /nfs/dbraw/zinc/45/17/17/498451717.db2.gz KGXLXRYYACBXMV-OCCSQVGLSA-N 2 0 373.360 3.324 20 0 FGADRP CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+]CCCCC[NH+]2CCCC2)cc1 ZINC000293730260 498469734 /nfs/dbraw/zinc/46/97/34/498469734.db2.gz OISDZWDKDUYDKR-KRWDZBQOSA-N 2 0 367.559 3.365 20 0 FGADRP CC(C)(C)[NH+]1CCC([NH2+]C[C@H](O)COCc2ccccc2Cl)CC1 ZINC000578860247 506039154 /nfs/dbraw/zinc/03/91/54/506039154.db2.gz OTCMSMNNJFLCTC-KRWDZBQOSA-N 2 0 354.922 3.070 20 0 FGADRP C[C@@H]([NH2+]C1CCN(CC(=O)N2CCCC2)CC1)c1ccc(F)c(Cl)c1 ZINC000362203252 498476078 /nfs/dbraw/zinc/47/60/78/498476078.db2.gz UPQUXJSJDVUBEX-CQSZACIVSA-N 2 0 367.896 3.217 20 0 FGADRP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N(C)[C@@H](c2ncc[nH]2)c2ccccc2)C1 ZINC000297526656 498481554 /nfs/dbraw/zinc/48/15/54/498481554.db2.gz DDNCJSDWNLOOET-PKOBYXMFSA-N 2 0 369.513 3.261 20 0 FGADRP COc1cccc(OC)c1OCCCC[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000290252993 498483431 /nfs/dbraw/zinc/48/34/31/498483431.db2.gz KAEQSPLZZRABJC-MSOLQXFVSA-N 2 0 362.514 3.279 20 0 FGADRP Cc1ccccc1-c1noc([C@H](C)[NH+]2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)n1 ZINC000572741707 506041823 /nfs/dbraw/zinc/04/18/23/506041823.db2.gz YLXYLMXWSZVFMC-KVSKMBFKSA-N 2 0 370.497 3.324 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCc1ncc(C2OCCO2)s1 ZINC000290369263 498526730 /nfs/dbraw/zinc/52/67/30/498526730.db2.gz NGAJGWOGELXGFG-WBVHZDCISA-N 2 0 373.522 3.189 20 0 FGADRP O[C@@H](C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)COc1ccccc1 ZINC000575982685 506048688 /nfs/dbraw/zinc/04/86/88/506048688.db2.gz WTPHULGTZYKEEA-KJJMTIBFSA-N 2 0 366.505 3.212 20 0 FGADRP C[C@@H]([NH2+]CC1(O)CCC(C)CC1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000576030052 506059461 /nfs/dbraw/zinc/05/94/61/506059461.db2.gz LAJYQJOTEINGMG-BQIYRTECSA-N 2 0 363.521 3.169 20 0 FGADRP COc1cc(CN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)ccc1OCc1ccncc1 ZINC000362999461 498597432 /nfs/dbraw/zinc/59/74/32/498597432.db2.gz FKJORHXWGNQVFG-UXHICEINSA-N 2 0 367.493 3.386 20 0 FGADRP CC1CCC([NH+]2CCC(NC(=O)N(C)[C@@H]3CC[N@H+](C)[C@H](C)C3)CC2)CC1 ZINC000365709727 498608527 /nfs/dbraw/zinc/60/85/27/498608527.db2.gz FLLRHUXDRSZUIK-LNXHZJMOSA-N 2 0 364.578 3.154 20 0 FGADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NCCCC[NH+]1C[C@H](C)C[C@H](C)C1 ZINC000303012732 498639066 /nfs/dbraw/zinc/63/90/66/498639066.db2.gz PBLURLWLWWIFJR-ZRNYENFQSA-N 2 0 366.594 3.164 20 0 FGADRP C[C@H](CNC(=O)NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1)[NH+]1CCC(C)CC1 ZINC000303067020 498645691 /nfs/dbraw/zinc/64/56/91/498645691.db2.gz NKBKGAWTJOFAPV-VAMGGRTRSA-N 2 0 366.594 3.164 20 0 FGADRP CC[N@H+](CCNC(=O)NCc1cccc(C[NH+]2CCC(C)CC2)c1)C1CC1 ZINC000303140422 498651023 /nfs/dbraw/zinc/65/10/23/498651023.db2.gz DMIMLPCQFMGSDX-UHFFFAOYSA-N 2 0 372.557 3.202 20 0 FGADRP CC[NH+](CC)Cc1cccc(C[NH2+]Cc2ccc3c(c2)NC(=O)CO3)c1 ZINC000294342117 498663275 /nfs/dbraw/zinc/66/32/75/498663275.db2.gz SCYOLWRUXSXSRA-UHFFFAOYSA-N 2 0 353.466 3.149 20 0 FGADRP C[C@H]1CN(c2ccccc2C[N@@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)CCO1 ZINC000298130648 498673265 /nfs/dbraw/zinc/67/32/65/498673265.db2.gz PZNSEVRUTUIQSQ-ICSRJNTNSA-N 2 0 357.542 3.075 20 0 FGADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000303506435 498683547 /nfs/dbraw/zinc/68/35/47/498683547.db2.gz AZOJUXMUPBCFNU-SFTDATJTSA-N 2 0 372.557 3.387 20 0 FGADRP CC1CCC([NH+]2CCC(NC(=O)N(C)C[C@H]3CCC[N@H+](C)C3)CC2)CC1 ZINC000363220829 498709806 /nfs/dbraw/zinc/70/98/06/498709806.db2.gz IJCFZVIZTOHAHG-FDYSRKEFSA-N 2 0 364.578 3.013 20 0 FGADRP CN(C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000287369539 498733114 /nfs/dbraw/zinc/73/31/14/498733114.db2.gz SUIFNWDSKOUHIE-JKWVGCSGSA-N 2 0 370.541 3.090 20 0 FGADRP C[C@H](c1nnc(SCc2ccnc(N)c2)n1-c1ccc(F)cc1)N(C)C ZINC000298374674 498749337 /nfs/dbraw/zinc/74/93/37/498749337.db2.gz PMURIYXWVTXYRF-GFCCVEGCSA-N 2 0 372.473 3.299 20 0 FGADRP CN(C(=O)CC[C@H]([NH3+])c1ccccc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000311496206 498751955 /nfs/dbraw/zinc/75/19/55/498751955.db2.gz VSIYOHVPLXRUAO-SFTDATJTSA-N 2 0 351.494 3.200 20 0 FGADRP Cc1cc2ncn(C[C@H](O)C[NH2+]CCc3ccc(F)cc3F)c2cc1C ZINC000576138078 506085428 /nfs/dbraw/zinc/08/54/28/506085428.db2.gz ZDFOVKZTGUIFHF-QGZVFWFLSA-N 2 0 359.420 3.125 20 0 FGADRP C[NH2+]CCc1ccccc1C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000572929554 506085659 /nfs/dbraw/zinc/08/56/59/506085659.db2.gz NVPHUFUABSBEET-UHFFFAOYSA-N 2 0 365.521 3.364 20 0 FGADRP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)CCC(=O)N3CCC[C@H]3C)C2)s1 ZINC000570098760 506090473 /nfs/dbraw/zinc/09/04/73/506090473.db2.gz WKHHPVAJVQXRTB-SJLPKXTDSA-N 2 0 363.571 3.211 20 0 FGADRP C[NH+]1CCC(CC[NH2+]Cc2c(F)ccc(C3OCCO3)c2Cl)CC1 ZINC000291113068 498800746 /nfs/dbraw/zinc/80/07/46/498800746.db2.gz KNGYYSQREBXDHP-UHFFFAOYSA-N 2 0 356.869 3.346 20 0 FGADRP C[C@@H]1C[C@H](NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000291113147 498800815 /nfs/dbraw/zinc/80/08/15/498800815.db2.gz KOIBLAPAZFMQTC-TWHAJKEOSA-N 2 0 371.569 3.007 20 0 FGADRP C[C@@H]1C[C@H](NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000291113143 498801027 /nfs/dbraw/zinc/80/10/27/498801027.db2.gz KOIBLAPAZFMQTC-QQUTXWOLSA-N 2 0 371.569 3.007 20 0 FGADRP OC[C@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000572962266 506092521 /nfs/dbraw/zinc/09/25/21/506092521.db2.gz BHFYXKBOPMSHHR-SFHVURJKSA-N 2 0 365.399 3.392 20 0 FGADRP c1ccc(-c2noc(CCC[N@@H+]3C[C@@H]4C[NH+]5CCCC[C@@H]5[C@@H]4C3)n2)cc1 ZINC000363414145 498807549 /nfs/dbraw/zinc/80/75/49/498807549.db2.gz KPAQVXAYKKMNFQ-GUDVDZBRSA-N 2 0 352.482 3.085 20 0 FGADRP CC[C@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)c1ccc(C(=O)OC)cc1 ZINC000294836191 498821410 /nfs/dbraw/zinc/82/14/10/498821410.db2.gz RMAJLSZTLYLONT-IBGZPJMESA-N 2 0 371.481 3.050 20 0 FGADRP Cn1ccnc1[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2-n2cncn2)C1 ZINC000366247235 498838353 /nfs/dbraw/zinc/83/83/53/498838353.db2.gz GBKOVBFRVQWVNY-HNNXBMFYSA-N 2 0 356.861 3.034 20 0 FGADRP CN(C[C@@H]1CC[N@H+](C)C1)C(=O)C1CC[NH+](Cc2ccc(Cl)s2)CC1 ZINC000363479003 498840686 /nfs/dbraw/zinc/84/06/86/498840686.db2.gz FCFUQZKOXFHHQM-CQSZACIVSA-N 2 0 369.962 3.024 20 0 FGADRP CCC[N@H+](CC)Cc1ccc(C(=O)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000576225605 506106947 /nfs/dbraw/zinc/10/69/47/506106947.db2.gz XZNYWRGEJJYJRT-RTWAWAEBSA-N 2 0 357.542 3.380 20 0 FGADRP NC(=O)c1ccc(C[N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)cc1 ZINC000291499828 498965928 /nfs/dbraw/zinc/96/59/28/498965928.db2.gz VAOLNNIMVXHZMW-UHFFFAOYSA-N 2 0 363.505 3.274 20 0 FGADRP FC(F)(F)COc1ccc(C[N@@H+]2CCC[C@@H](N3CCOCC3)CC2)cc1 ZINC000573112206 506121299 /nfs/dbraw/zinc/12/12/99/506121299.db2.gz APPUIFZZJRXCNN-QGZVFWFLSA-N 2 0 372.431 3.314 20 0 FGADRP O=C([C@H](c1ccccc1)[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1)N1CCCCC1 ZINC000582063304 506125172 /nfs/dbraw/zinc/12/51/72/506125172.db2.gz WZQCXCOKXYZREM-RTWAWAEBSA-N 2 0 355.526 3.062 20 0 FGADRP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+]CCCOCCc1ccccc1 ZINC000363814240 499006775 /nfs/dbraw/zinc/00/67/75/499006775.db2.gz FDQMZXLPEATLIX-BAGYTPMASA-N 2 0 360.542 3.115 20 0 FGADRP COCCC1(C[NH+]2CCC(N3CC[NH+](C(C)C)CC3)CC2)CCCCC1 ZINC000363845833 499023290 /nfs/dbraw/zinc/02/32/90/499023290.db2.gz SUNABNARQYRWJY-UHFFFAOYSA-N 2 0 365.606 3.464 20 0 FGADRP COc1ccc([C@@H](C)C[NH+]2CCC(C)(C[NH+]3CCN(C)CC3)CC2)cc1 ZINC000363887358 499040914 /nfs/dbraw/zinc/04/09/14/499040914.db2.gz KTHANBFZDKBIPD-IBGZPJMESA-N 2 0 359.558 3.148 20 0 FGADRP CCOC(=O)c1oc2c(c1C)[C@@H]([NH2+]C[C@H]1CCc3nccn3C1)CCC2 ZINC000366730492 499051943 /nfs/dbraw/zinc/05/19/43/499051943.db2.gz OXVFWDBWJPERTC-CABCVRRESA-N 2 0 357.454 3.191 20 0 FGADRP OC[C@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+]CC1Cc2ccccc2C1 ZINC000576320783 506129880 /nfs/dbraw/zinc/12/98/80/506129880.db2.gz LTONTQKWGHIFAO-HSZRJFAPSA-N 2 0 350.506 3.148 20 0 FGADRP CS(=O)(=O)[C@H]1CCC[C@@H]([NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000284307382 499085919 /nfs/dbraw/zinc/08/59/19/499085919.db2.gz ZDKWMQCPYPKGMV-UXHICEINSA-N 2 0 364.555 3.118 20 0 FGADRP CCc1nccn1C[C@@H]1CCCN1C(=O)NCCCCCCC[NH+](C)C ZINC000364165783 499126499 /nfs/dbraw/zinc/12/64/99/499126499.db2.gz GXWAZFFFDOXQKY-SFHVURJKSA-N 2 0 363.550 3.132 20 0 FGADRP CC(C)[C@H](C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1)c1ccccc1 ZINC000570279934 506132206 /nfs/dbraw/zinc/13/22/06/506132206.db2.gz RQMGUYKYAYWZAA-GIVPXCGWSA-N 2 0 357.542 3.006 20 0 FGADRP C[C@@H]1C[C@H](N(C)C(=O)NC[C@H]2CCC[NH+](Cc3ccccc3)C2)CC[N@@H+]1C ZINC000369872921 499143133 /nfs/dbraw/zinc/14/31/33/499143133.db2.gz QLJDZNUEYXFYTQ-HMXCVIKNSA-N 2 0 372.557 3.023 20 0 FGADRP C[C@@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1cccc(Br)c1 ZINC000369882887 499144374 /nfs/dbraw/zinc/14/43/74/499144374.db2.gz NYKFUTGPHAHLDB-RHSMWYFYSA-N 2 0 366.347 3.268 20 0 FGADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)C1CC[NH+](Cc2cccnc2)CC1 ZINC000370087011 499177759 /nfs/dbraw/zinc/17/77/59/499177759.db2.gz NFUUPMWDRDIHGA-UHFFFAOYSA-N 2 0 366.509 3.302 20 0 FGADRP CCN(C(=O)C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1)[C@@H](C)c1ccc(F)cc1 ZINC000576346448 506136450 /nfs/dbraw/zinc/13/64/50/506136450.db2.gz OXAINAPSUHOVQD-LPHOPBHVSA-N 2 0 361.505 3.057 20 0 FGADRP Cc1ccc(-c2cnc(CN3CC[C@H]([NH+]4CCN(C)CC4)[C@H](C)C3)o2)cc1 ZINC000370149584 499187746 /nfs/dbraw/zinc/18/77/46/499187746.db2.gz PBQRYLGZKGASRA-QUCCMNQESA-N 2 0 368.525 3.108 20 0 FGADRP COc1ccc(NC(=[NH2+])NC[C@@H]2CC[N@H+](C)[C@H]2c2cccs2)cc1OC ZINC000370163829 499191157 /nfs/dbraw/zinc/19/11/57/499191157.db2.gz UHDQTJDSNZZZAB-SCLBCKFNSA-N 2 0 374.510 3.395 20 0 FGADRP COc1cc(OC)c(OC)cc1C[N@H+](C)C1CCN(c2ccccn2)CC1 ZINC000367423715 499197384 /nfs/dbraw/zinc/19/73/84/499197384.db2.gz WMIJXMNZAOXBLC-UHFFFAOYSA-N 2 0 371.481 3.208 20 0 FGADRP CC(C)(C)OC(=O)NCC1CCC([NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000367522312 499208648 /nfs/dbraw/zinc/20/86/48/499208648.db2.gz DSUPHQRHODLIJH-HIEASXQVSA-N 2 0 351.535 3.286 20 0 FGADRP OC[C@H](C[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21)c1cccnc1 ZINC000367566061 499213154 /nfs/dbraw/zinc/21/31/54/499213154.db2.gz RMYHSYUCJSNJCR-KAOXLYBCSA-N 2 0 365.521 3.048 20 0 FGADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)Nc3ccc(CC[NH+]4CCCCC4)cc3)C[C@@H]21 ZINC000367592825 499215954 /nfs/dbraw/zinc/21/59/54/499215954.db2.gz GWDGOQHNUYKWSF-CTNGQTDRSA-N 2 0 370.541 3.273 20 0 FGADRP C[C@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccccc1Br ZINC000370625481 499236738 /nfs/dbraw/zinc/23/67/38/499236738.db2.gz YLNVFFIVDRCBSG-LSDHHAIUSA-N 2 0 366.347 3.268 20 0 FGADRP Cc1nc(C(C)C)sc1[C@H](C)[NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000370624171 499236749 /nfs/dbraw/zinc/23/67/49/499236749.db2.gz HOOCEVODSVHHQB-GOEBONIOSA-N 2 0 350.576 3.394 20 0 FGADRP CN1CCC([NH+]2CCC(CC[NH2+]C3CC[NH+](C(C)(C)C)CC3)CC2)CC1 ZINC000370663897 499241509 /nfs/dbraw/zinc/24/15/09/499241509.db2.gz ZIYPYNXRNLBKTN-UHFFFAOYSA-N 3 0 364.622 3.035 20 0 FGADRP Fc1cncc(C[N@@H+]2CCC3(C2)CC[NH+](Cc2cncc(F)c2)CC3)c1 ZINC000370673959 499243053 /nfs/dbraw/zinc/24/30/53/499243053.db2.gz RAWPEOWGUUUQQH-UHFFFAOYSA-N 2 0 358.436 3.243 20 0 FGADRP C[C@@H]1CN(Cc2ccccc2OC(F)(F)F)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000370696474 499245241 /nfs/dbraw/zinc/24/52/41/499245241.db2.gz BZXYTWBPRKILBD-WBVHZDCISA-N 2 0 371.447 3.043 20 0 FGADRP C[N@@H+]1CCC[C@H](CNC(=O)CC(C)(C)[NH3+])[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000370773612 499253096 /nfs/dbraw/zinc/25/30/96/499253096.db2.gz OXGXKOXCHMHSQK-RHSMWYFYSA-N 2 0 371.447 3.332 20 0 FGADRP C[C@H](C(=O)N1C[C@@H]2C[N@H+](C)[C@H](c3ccccc3)[C@H]2C1)[C@@H]([NH3+])c1ccccc1 ZINC000370772363 499253300 /nfs/dbraw/zinc/25/33/00/499253300.db2.gz KXQMKGQKAYHQQW-XXGVUKKKSA-N 2 0 363.505 3.084 20 0 FGADRP C[NH+]1CCC(N2CC[C@@H]([NH2+][C@@H]3CCCc4c5ccccc5[nH]c43)C2)CC1 ZINC000368007227 499254332 /nfs/dbraw/zinc/25/43/32/499254332.db2.gz PMZLKRGYDNOHTM-IIBYNOLFSA-N 2 0 352.526 3.303 20 0 FGADRP CC[NH+](CC)Cc1cc([C@@H](C)[NH2+][C@@H]2CCc3nc[nH]c3C2)ccc1OC ZINC000368100535 499264318 /nfs/dbraw/zinc/26/43/18/499264318.db2.gz HTOVSMOKMIGGOL-CRAIPNDOSA-N 2 0 356.514 3.468 20 0 FGADRP c1nc2c([nH]1)C[C@H]([NH2+][C@H]1CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]31)CC2 ZINC000368101922 499264474 /nfs/dbraw/zinc/26/44/74/499264474.db2.gz LQYAVKQBNLCZCD-YRPNKDGESA-N 2 0 350.510 3.157 20 0 FGADRP CC(C)c1ccccc1NC(=O)[C@H](C)[NH+]1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000570309908 506139272 /nfs/dbraw/zinc/13/92/72/506139272.db2.gz SBGAAOLLWKAVCW-CDXJDZJCSA-N 2 0 373.541 3.355 20 0 FGADRP C[NH+](C)Cc1c2ccccc2oc1C(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000371230378 499300344 /nfs/dbraw/zinc/30/03/44/499300344.db2.gz LVEMRSIVDKPLSR-QAPCUYQASA-N 2 0 355.482 3.099 20 0 FGADRP O[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]C2CCC(O)(c3ccccc3)CC2)CC1 ZINC000368494615 499301739 /nfs/dbraw/zinc/30/17/39/499301739.db2.gz NSQMQAGKHWEDQR-XOUFRROXSA-N 2 0 372.553 3.174 20 0 FGADRP C[C@H](C[C@H](O)c1ccc(F)cc1)[NH2+][C@@H]1CCN(C[C@H]2CCCO2)C[C@@H]1C ZINC000371258320 499303281 /nfs/dbraw/zinc/30/32/81/499303281.db2.gz NGSXPUJEKBKHJA-ADDNLYQESA-N 2 0 364.505 3.117 20 0 FGADRP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2Cc1cc(Br)cs1 ZINC000371294828 499306740 /nfs/dbraw/zinc/30/67/40/499306740.db2.gz NGEXFBWLNBRVRA-VHDGCEQUSA-N 2 0 359.333 3.194 20 0 FGADRP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](Cc3cccc(-c4ccccn4)c3)C2)CC1 ZINC000371330565 499311272 /nfs/dbraw/zinc/31/12/72/499311272.db2.gz BZWZBSGTAHKFPY-JOCHJYFZSA-N 2 0 364.537 3.349 20 0 FGADRP COc1ccc(C[N@@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)c2ccccc12 ZINC000371332355 499311673 /nfs/dbraw/zinc/31/16/73/499311673.db2.gz ORODBCCWOPNXOY-HXUWFJFHSA-N 2 0 367.537 3.449 20 0 FGADRP C[C@H]([NH2+]C[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1)c1ccc(-n2cnnn2)cc1 ZINC000371514897 499336757 /nfs/dbraw/zinc/33/67/57/499336757.db2.gz QTEMSFAKMBODGT-NBHGPNQESA-N 2 0 362.481 3.006 20 0 FGADRP C[C@@H]1CCC[N@@H+]1C1CCN(C(=O)c2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000372079897 499396603 /nfs/dbraw/zinc/39/66/03/499396603.db2.gz JBVHVUVXEACUQU-GOSISDBHSA-N 2 0 355.526 3.371 20 0 FGADRP CCCC[N@H+](C)CC1CCN(C(=O)NC2CC([NH+]3CCCCC3)C2)CC1 ZINC000369545709 499415294 /nfs/dbraw/zinc/41/52/94/499415294.db2.gz JGRNHPZOQSEVPA-UHFFFAOYSA-N 2 0 364.578 3.157 20 0 FGADRP Cc1ccc(NC(=O)CC[NH2+][C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)nc1 ZINC000372348723 499423767 /nfs/dbraw/zinc/42/37/67/499423767.db2.gz QSRVMQPSTUMWDZ-QUCCMNQESA-N 2 0 366.509 3.219 20 0 FGADRP Cc1nc([C@@H](C)[NH2+]CC2(N3CC[NH+](C)CC3)CCCCCC2)cs1 ZINC000378199987 499489831 /nfs/dbraw/zinc/48/98/31/499489831.db2.gz KBBWQUCIGGNYHQ-MRXNPFEDSA-N 2 0 350.576 3.443 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)c1cccn1C1CC[NH2+]CC1)c1ccsc1 ZINC000378207995 499490432 /nfs/dbraw/zinc/49/04/32/499490432.db2.gz DZZYTIYZTVJXTI-IBGZPJMESA-N 2 0 374.554 3.287 20 0 FGADRP CN1CCC([NH+]2CCC(CC[NH2+]Cc3cnc(C(C)(C)C)nc3)CC2)CC1 ZINC000375325326 499507458 /nfs/dbraw/zinc/50/74/58/499507458.db2.gz ZCBBEKFJSUXOIH-UHFFFAOYSA-N 2 0 373.589 3.060 20 0 FGADRP C[C@@H]1C[N@@H+]([C@@H]2CC[C@](C)(c3ccccc3)C2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000375358006 499510468 /nfs/dbraw/zinc/51/04/68/499510468.db2.gz USQMCCBVMWDUGW-ADHNFCLRSA-N 2 0 355.570 3.455 20 0 FGADRP CC(C)[C@@H](O)C1(C[NH2+]Cc2ccccc2N(C)C2CC[NH+](C)CC2)CC1 ZINC000378447939 499517987 /nfs/dbraw/zinc/51/79/87/499517987.db2.gz CKSQNCGQEVKSQC-OAQYLSRUSA-N 2 0 359.558 3.104 20 0 FGADRP C[NH+](C)C1CCN(CC[NH2+][C@H]2CCCOc3cc(Cl)ccc32)CC1 ZINC000378523450 499527696 /nfs/dbraw/zinc/52/76/96/499527696.db2.gz NZXPAJAHAPHMGI-SFHVURJKSA-N 2 0 351.922 3.169 20 0 FGADRP C[N@H+](C[C@H](O)COc1cc(Cl)ccc1Cl)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000375748892 499551351 /nfs/dbraw/zinc/55/13/51/499551351.db2.gz ASAVHJMDFDTADA-QXULXFAOSA-N 2 0 373.324 3.290 20 0 FGADRP O[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)COc1ccccc1 ZINC000390951425 499555983 /nfs/dbraw/zinc/55/59/83/499555983.db2.gz WTPHULGTZYKEEA-LQCXBHPOSA-N 2 0 366.505 3.212 20 0 FGADRP COCCCOc1ccc(C[NH2+]C2CCN(Cc3ccncc3)CC2)cc1 ZINC000375852649 499562405 /nfs/dbraw/zinc/56/24/05/499562405.db2.gz ODLRQLMPWCTFCA-UHFFFAOYSA-N 2 0 369.509 3.251 20 0 FGADRP CC[C@H]([NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1)c1ccc(F)cn1 ZINC000397495092 499564177 /nfs/dbraw/zinc/56/41/77/499564177.db2.gz DBPGJSMEAUBKQB-IBGZPJMESA-N 2 0 357.473 3.289 20 0 FGADRP COc1ccccc1C[C@@H](C)[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000397560838 499564431 /nfs/dbraw/zinc/56/44/31/499564431.db2.gz RIEFYUFCMUBACL-LJQANCHMSA-N 2 0 368.521 3.243 20 0 FGADRP C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@H]1[NH2+]CCc1ccccc1OC(F)F ZINC000376417072 499607328 /nfs/dbraw/zinc/60/73/28/499607328.db2.gz WLWXAYGQBROETK-KBAYOESNSA-N 2 0 368.468 3.310 20 0 FGADRP O=C(NCC1CC[NH+](C2CC2)CC1)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000376562266 499618930 /nfs/dbraw/zinc/61/89/30/499618930.db2.gz QSLICGBXXVWXKP-IBGZPJMESA-N 2 0 373.516 3.028 20 0 FGADRP [NH3+]C[C@@H]1C[N@H+](CCCc2nc(-c3ccccc3)no2)C[C@H]1c1ccccc1 ZINC000410091929 499640729 /nfs/dbraw/zinc/64/07/29/499640729.db2.gz WQNWANFASCXCRS-UXHICEINSA-N 2 0 362.477 3.344 20 0 FGADRP CC(C)[NH+]1CCN(C(=O)NCc2ccccc2C[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000410354434 499657174 /nfs/dbraw/zinc/65/71/74/499657174.db2.gz QAXGGSFDQKBAST-IBGZPJMESA-N 2 0 372.557 3.154 20 0 FGADRP Cn1ccnc1[C@@H]1CCCN(Cc2noc(-c3ccc(F)cc3F)n2)C1 ZINC000377265615 499675213 /nfs/dbraw/zinc/67/52/13/499675213.db2.gz GHUULYKVDACYCD-GFCCVEGCSA-N 2 0 359.380 3.128 20 0 FGADRP c1csc(CN2CCC([NH2+]Cc3cnc(C4OCCO4)s3)CC2)c1 ZINC000377644178 499714585 /nfs/dbraw/zinc/71/45/85/499714585.db2.gz APXJXYAPEBOWGV-UHFFFAOYSA-N 2 0 365.524 3.004 20 0 FGADRP O=C(C1CC[NH+](Cc2ccccc2)CC1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000377652255 499715840 /nfs/dbraw/zinc/71/58/40/499715840.db2.gz TVIWURZWBVBBAH-UHFFFAOYSA-N 2 0 369.553 3.233 20 0 FGADRP COC(=O)C[C@@H]1CSCC[N@@H+]1Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411340982 499727636 /nfs/dbraw/zinc/72/76/36/499727636.db2.gz BNIXIZNCPWZKDC-LJQANCHMSA-N 2 0 362.539 3.153 20 0 FGADRP c1cn(C[C@@H]2CCC[N@H+](Cc3cccc(C[NH+]4CCCCC4)c3)C2)nn1 ZINC000411391842 499733179 /nfs/dbraw/zinc/73/31/79/499733179.db2.gz BVFJIJNJVAYGEM-OAQYLSRUSA-N 2 0 353.514 3.176 20 0 FGADRP COC(=O)c1cc(C[N@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)cs1 ZINC000411429564 499739350 /nfs/dbraw/zinc/73/93/50/499739350.db2.gz RDKNZGXGCCCPHM-UHFFFAOYSA-N 2 0 359.495 3.278 20 0 FGADRP CC[NH+]1CCC(NC(=O)C[NH2+][C@H](CC2CCCC2)c2ccccc2)CC1 ZINC000411488439 499746883 /nfs/dbraw/zinc/74/68/83/499746883.db2.gz YJUQQTWZMVFVNV-OAQYLSRUSA-N 2 0 357.542 3.498 20 0 FGADRP C[C@H]1C[C@@H](C(=O)N2CCC[C@@H]([NH+](C)Cc3ccccc3)CC2)CC[N@@H+]1C ZINC000377983578 499753025 /nfs/dbraw/zinc/75/30/25/499753025.db2.gz BADJTAYMRFAZEP-SESVDKBCSA-N 2 0 357.542 3.230 20 0 FGADRP C[NH+](C)CC1CC[NH+](CCC(=O)Nc2cccc(Br)c2)CC1 ZINC000582207409 506158278 /nfs/dbraw/zinc/15/82/78/506158278.db2.gz ZLSJNEAGZWMXQH-UHFFFAOYSA-N 2 0 368.319 3.051 20 0 FGADRP Cc1c([C@H]2OCC[C@@H]2[NH2+]Cc2cccc(C[NH+]3CCCCC3)c2)cnn1C ZINC000411573346 499764939 /nfs/dbraw/zinc/76/49/39/499764939.db2.gz KFUYTACLZAGAGC-FCHUYYIVSA-N 2 0 368.525 3.334 20 0 FGADRP C[C@H](CCC1CCCCC1)[NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000414194120 499767437 /nfs/dbraw/zinc/76/74/37/499767437.db2.gz NIUAIONJDJSTBM-LJQANCHMSA-N 2 0 351.579 3.122 20 0 FGADRP CC(CC[NH+]1CCc2ncsc2C1)CC[N@@H+]1CCc2ncsc2C1 ZINC000411602053 499767906 /nfs/dbraw/zinc/76/79/06/499767906.db2.gz BKWNYKNHKRLTLW-UHFFFAOYSA-N 2 0 362.568 3.432 20 0 FGADRP CCN1CC[N@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C[C@@H]1c1ncc[nH]1 ZINC000411658398 499774217 /nfs/dbraw/zinc/77/42/17/499774217.db2.gz LTIWLWGQFOPXSX-OAQYLSRUSA-N 2 0 367.541 3.274 20 0 FGADRP OC1(C[NH2+][C@@H](c2cncc(F)c2)C2CC2)CC[NH+](Cc2ccccc2)CC1 ZINC000414299509 499775303 /nfs/dbraw/zinc/77/53/03/499775303.db2.gz HXRXNPLVWLRUCO-OAQYLSRUSA-N 2 0 369.484 3.289 20 0 FGADRP OC1(C[NH2+][C@@H]2CCC[C@H]([C@H]3CCOC3)C2)CC[NH+](Cc2ccccc2)CC1 ZINC000414302195 499775722 /nfs/dbraw/zinc/77/57/22/499775722.db2.gz KGTOFJGIRMILPQ-FDFHNCONSA-N 2 0 372.553 3.198 20 0 FGADRP C[C@H]1C[N@H+](Cc2cccc(C[NH+]3CCCCC3)c2)CC2(CCOCC2)O1 ZINC000411678495 499776546 /nfs/dbraw/zinc/77/65/46/499776546.db2.gz SFBTUPXGSMFOCH-IBGZPJMESA-N 2 0 358.526 3.442 20 0 FGADRP OC[C@]1([NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)CCOc2ccccc21 ZINC000411680712 499777228 /nfs/dbraw/zinc/77/72/28/499777228.db2.gz YFDAVSRRCOCDRX-HSZRJFAPSA-N 2 0 366.505 3.432 20 0 FGADRP C[C@@H](c1ccccc1)[C@@H]([NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1)C(N)=O ZINC000411756644 499787095 /nfs/dbraw/zinc/78/70/95/499787095.db2.gz KECQLHCGISNHHG-PGRDOPGGSA-N 2 0 365.521 3.420 20 0 FGADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2cn(-c3cccc(F)c3)nc2C)C1 ZINC000414407019 499787616 /nfs/dbraw/zinc/78/76/16/499787616.db2.gz JXULLVCFYCSLMA-OAQYLSRUSA-N 2 0 374.504 3.253 20 0 FGADRP COc1cc(C[NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)ccc1C ZINC000414521724 499802657 /nfs/dbraw/zinc/80/26/57/499802657.db2.gz FQPJAJUXLDWXQN-UHFFFAOYSA-N 2 0 354.494 3.120 20 0 FGADRP C[C@@H]1CC(C)(C)C[N@@H+]1CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000412046908 499816800 /nfs/dbraw/zinc/81/68/00/499816800.db2.gz RWCZIWUAQRHQIQ-MRXNPFEDSA-N 2 0 361.555 3.294 20 0 FGADRP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3cn(C4CCCC4)nc3-c3ccccn3)C[C@@H]12 ZINC000414670766 499819108 /nfs/dbraw/zinc/81/91/08/499819108.db2.gz MRYBSYNYOAJBCB-ATZDWAIDSA-N 2 0 351.498 3.229 20 0 FGADRP [NH3+]CC(=O)N1CCC[C@@H](C[N@H+](Cc2ccc3ccccc3c2)C2CC2)C1 ZINC000414674612 499819428 /nfs/dbraw/zinc/81/94/28/499819428.db2.gz KVBZWGSZNJRDJR-GOSISDBHSA-N 2 0 351.494 3.002 20 0 FGADRP [NH3+]CC(=O)N1CCC[C@H](C[N@@H+]2CCC[C@@H]2c2cccc3ccccc32)C1 ZINC000414683483 499820178 /nfs/dbraw/zinc/82/01/78/499820178.db2.gz BGUVHNFOSZTNLF-DYESRHJHSA-N 2 0 351.494 3.174 20 0 FGADRP [NH3+]CC(=O)N1CCC[C@H](C[N@H+](Cc2ccccc2Cl)C2CCCC2)C1 ZINC000414695186 499820972 /nfs/dbraw/zinc/82/09/72/499820972.db2.gz OIAIQVXMNHBCEH-INIZCTEOSA-N 2 0 363.933 3.282 20 0 FGADRP CC(C)(Cc1ccc(Cl)cc1Cl)[NH2+]C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414717652 499822569 /nfs/dbraw/zinc/82/25/69/499822569.db2.gz ZSVMGCQPFITQMB-ZDUSSCGKSA-N 2 0 372.340 3.101 20 0 FGADRP O[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1ccc(-c2ccc(C(F)(F)F)cc2)s1 ZINC000414779941 499830115 /nfs/dbraw/zinc/83/01/15/499830115.db2.gz GBQSOKZYHANDOL-IUODEOHRSA-N 2 0 356.413 3.104 20 0 FGADRP Cc1cc(C[N@@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)c(OC(F)F)cc1C ZINC000414781641 499830545 /nfs/dbraw/zinc/83/05/45/499830545.db2.gz NJASQPLTRXSNTI-INIZCTEOSA-N 2 0 354.441 3.092 20 0 FGADRP Cc1cc(C[NH+]2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)c(OC(F)F)cc1C ZINC000414785973 499830993 /nfs/dbraw/zinc/83/09/93/499830993.db2.gz KIHHDQGUEONHME-AEFFLSMTSA-N 2 0 354.441 3.233 20 0 FGADRP COc1ccc(OC)c(NC(=O)C[C@@H](C)[NH2+]Cc2ccc([C@@H](C)[NH3+])cc2)c1 ZINC000414806442 499833184 /nfs/dbraw/zinc/83/31/84/499833184.db2.gz BSZGTJUTGPVBHU-HUUCEWRRSA-N 2 0 371.481 3.230 20 0 FGADRP COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000414842484 499836847 /nfs/dbraw/zinc/83/68/47/499836847.db2.gz OXDGDRSCGYIBPP-UONOGXRCSA-N 2 0 353.894 3.045 20 0 FGADRP FC(F)(F)c1ccc(Cn2cc(C[NH2+]CC[C@H]3CCC[NH2+]C3)cn2)cc1 ZINC000414846111 499837051 /nfs/dbraw/zinc/83/70/51/499837051.db2.gz UCJIQPJQKOXDHL-OAHLLOKOSA-N 2 0 366.431 3.430 20 0 FGADRP C[NH2+]C[C@H](C)C[NH2+]Cc1cc(Br)c(OC(F)F)c(OC)c1 ZINC000414848076 499837340 /nfs/dbraw/zinc/83/73/40/499837340.db2.gz WRICIYJNRHXBTK-VIFPVBQESA-N 2 0 367.234 3.004 20 0 FGADRP C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000414850900 499837949 /nfs/dbraw/zinc/83/79/49/499837949.db2.gz IREDPESJBRLSEM-RDBSUJKOSA-N 2 0 373.419 3.280 20 0 FGADRP C[C@@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]C[C@]1(C)CCC[NH2+]C1 ZINC000414920472 499844453 /nfs/dbraw/zinc/84/44/53/499844453.db2.gz ZLVKSOANFHAATL-HNAYVOBHSA-N 2 0 351.922 3.056 20 0 FGADRP COc1cccc(-c2nn(C(C)(C)C)cc2C[NH2+][C@H]2CC[NH2+]C[C@H]2C)c1 ZINC000414942360 499847027 /nfs/dbraw/zinc/84/70/27/499847027.db2.gz MPKDGDRRJBBSOP-BEFAXECRSA-N 2 0 356.514 3.401 20 0 FGADRP COc1ccc(OCc2nc(C[NH2+]CCC[C@H]3CCC[NH2+]3)cs2)cc1 ZINC000414976423 499850640 /nfs/dbraw/zinc/85/06/40/499850640.db2.gz PYQRVVGLULTMEK-HNNXBMFYSA-N 2 0 361.511 3.353 20 0 FGADRP [NH3+][C@H]1CCC[C@@H](C[NH2+]Cc2cn(-c3cccc(Cl)c3Cl)nn2)C1 ZINC000414990688 499852113 /nfs/dbraw/zinc/85/21/13/499852113.db2.gz AKQJWJVLRTUAOO-NEPJUHHUSA-N 2 0 354.285 3.181 20 0 FGADRP COc1ccc(Cn2nc(C)c(C[NH2+][C@@H]3C[C@H]3C3CC[NH2+]CC3)c2C)cc1 ZINC000415005258 499854406 /nfs/dbraw/zinc/85/44/06/499854406.db2.gz IZGKQVBPOHVCRH-RBBKRZOGSA-N 2 0 368.525 3.035 20 0 FGADRP [NH3+][C@H]1CCC[C@@H](C[NH2+]Cc2cn(-c3ccc(Cl)cc3Cl)nn2)C1 ZINC000415011013 499854868 /nfs/dbraw/zinc/85/48/68/499854868.db2.gz VQJIJMYMRPAGOQ-YPMHNXCESA-N 2 0 354.285 3.181 20 0 FGADRP C[C@H](Cc1ccc(Br)c(F)c1)[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000415013886 499855013 /nfs/dbraw/zinc/85/50/13/499855013.db2.gz VTSUDUDMNIQAGO-HYSWKAIVSA-N 2 0 355.295 3.497 20 0 FGADRP COc1ccc(Cn2nc(C)c(C[NH2+]C[C@H]3CC[C@H](C[NH3+])CC3)c2C)cc1 ZINC000415018440 499855264 /nfs/dbraw/zinc/85/52/64/499855264.db2.gz BYXGUDMIPASIRR-WGSAOQKQSA-N 2 0 370.541 3.412 20 0 FGADRP Cc1cccn2cc(COc3ccc(C[NH2+][C@@H]4CC[C@@H](C[NH3+])C4)cc3)nc12 ZINC000415028699 499856091 /nfs/dbraw/zinc/85/60/91/499856091.db2.gz DBXGJQHKLSINBG-RTBURBONSA-N 2 0 364.493 3.439 20 0 FGADRP COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]C[C@H]1CC[C@H](C[NH3+])CC1 ZINC000415027771 499856124 /nfs/dbraw/zinc/85/61/24/499856124.db2.gz WWNSBCZIXQDPMO-KKUMJFAQSA-N 2 0 367.921 3.420 20 0 FGADRP CC[C@H](CCc1ccc(Br)cc1)[NH2+]C[C@@H]1C[NH2+]CCCO1 ZINC000415045225 499857710 /nfs/dbraw/zinc/85/77/10/499857710.db2.gz TUFGICIIDWYIBK-SJORKVTESA-N 2 0 355.320 3.128 20 0 FGADRP Cc1cccc2c1C[NH2+]CCN2Cc1nc2c(s1)C[N@H+](C(C)C)CC2 ZINC000415098731 499863341 /nfs/dbraw/zinc/86/33/41/499863341.db2.gz JGKBAFYNWGRHIK-UHFFFAOYSA-N 2 0 356.539 3.328 20 0 FGADRP [NH3+][C@H]1CCCO[C@@H]1C1CC[NH+](Cc2sccc2Br)CC1 ZINC000415109002 499864834 /nfs/dbraw/zinc/86/48/34/499864834.db2.gz MXWOFIGCMHUKJQ-DZGCQCFKSA-N 2 0 359.333 3.229 20 0 FGADRP C[C@H]1CC[N@H+](Cc2cn(-c3ccccc3)nc2-c2cccnc2)C[C@@H]1C[NH3+] ZINC000415123194 499866482 /nfs/dbraw/zinc/86/64/82/499866482.db2.gz JEBSBURDQUQRNM-HKUYNNGSSA-N 2 0 361.493 3.351 20 0 FGADRP COc1ccc(C[N@@H+]2CC[C@H](C)[C@H](C[NH3+])C2)cc1OCc1cccnc1 ZINC000415122874 499866612 /nfs/dbraw/zinc/86/66/12/499866612.db2.gz IUXVHCIUWYJDKC-QFBILLFUSA-N 2 0 355.482 3.086 20 0 FGADRP [NH3+][C@H]1CCO[C@@H](C2CC[NH+](Cc3ccccc3OCC(F)(F)F)CC2)C1 ZINC000415123568 499866761 /nfs/dbraw/zinc/86/67/61/499866761.db2.gz LGBXXHJWGRFFPY-FUHWJXTLSA-N 2 0 372.431 3.346 20 0 FGADRP Cc1ccc(C[NH+]2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)cc1Br ZINC000415128616 499867423 /nfs/dbraw/zinc/86/74/23/499867423.db2.gz SNSKBDHLYWETDK-WMZOPIPTSA-N 2 0 367.331 3.476 20 0 FGADRP C[C@@]1(CNC(=O)Nc2ccc(OCC[NH+]3CCCCC3)cc2)CCC[NH2+]C1 ZINC000415302322 499884737 /nfs/dbraw/zinc/88/47/37/499884737.db2.gz CBUCVQYANHJVGX-OAQYLSRUSA-N 2 0 374.529 3.063 20 0 FGADRP CC1CC[NH+](CCc2cccc(NC(=O)N(C)C3CC[NH2+]CC3)c2)CC1 ZINC000415392293 499890983 /nfs/dbraw/zinc/89/09/83/499890983.db2.gz NETKPGRUEMQRPH-UHFFFAOYSA-N 2 0 358.530 3.177 20 0 FGADRP C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)Nc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000415886443 499924420 /nfs/dbraw/zinc/92/44/20/499924420.db2.gz UXWLBMUGRYFCOJ-ZWKOTPCHSA-N 2 0 370.541 3.451 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)Nc1ccccc1C[NH2+]C)Cc1ccccc1 ZINC000415899057 499925831 /nfs/dbraw/zinc/92/58/31/499925831.db2.gz IQOOOZUNSZUGGE-HXUWFJFHSA-N 2 0 368.525 3.481 20 0 FGADRP CC[NH2+]Cc1cccc(NC(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)c1 ZINC000415926728 499929396 /nfs/dbraw/zinc/92/93/96/499929396.db2.gz BZNTTWSUQLFQHA-FQEVSTJZSA-N 2 0 354.498 3.091 20 0 FGADRP C[NH2+]Cc1cccc(NC(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000415945147 499931921 /nfs/dbraw/zinc/93/19/21/499931921.db2.gz QWODTLAJTOCXPX-HXUWFJFHSA-N 2 0 352.482 3.192 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)Nc1ccc2c(c1F)CC[NH2+]C2)c1ccco1 ZINC000415952046 499932755 /nfs/dbraw/zinc/93/27/55/499932755.db2.gz GQADFZGRAMTPTF-KRWDZBQOSA-N 2 0 374.460 3.269 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2cc(C[NH3+])cc(C(F)(F)F)c2)[C@H](C)C1 ZINC000415954623 499932974 /nfs/dbraw/zinc/93/29/74/499932974.db2.gz KXFLEDOOJAOKHK-WBMJQRKESA-N 2 0 372.435 3.358 20 0 FGADRP CC[NH+](CC)Cc1ccc(CNC(=O)Nc2ccc(OCC[NH3+])cc2)cc1 ZINC000415966749 499935033 /nfs/dbraw/zinc/93/50/33/499935033.db2.gz WBYSHILIMBTWMC-UHFFFAOYSA-N 2 0 370.497 3.188 20 0 FGADRP C[NH2+]Cc1ccc(NC(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)cc1 ZINC000415969572 499935302 /nfs/dbraw/zinc/93/53/02/499935302.db2.gz GJACSUBQYOHVCK-UHFFFAOYSA-N 2 0 370.472 3.331 20 0 FGADRP C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000415973798 499935940 /nfs/dbraw/zinc/93/59/40/499935940.db2.gz KMUDUOTWCAVQCV-UHFFFAOYSA-N 2 0 360.889 3.394 20 0 FGADRP CC[NH+](CC)Cc1ccc(CNC(=O)Nc2ccc3c(c2)C[NH2+]C3)cc1 ZINC000416023605 499942194 /nfs/dbraw/zinc/94/21/94/499942194.db2.gz ZQMTWFGLXZPFKC-UHFFFAOYSA-N 2 0 352.482 3.453 20 0 FGADRP C[NH+](C)[C@@H](CC(=O)NCC[N@H+](C)Cc1ccc(F)cc1)c1ccccc1 ZINC000416171838 499967415 /nfs/dbraw/zinc/96/74/15/499967415.db2.gz SKSFEDKTJFGITO-FQEVSTJZSA-N 2 0 357.473 3.067 20 0 FGADRP C[C@H]([NH3+])c1ccc(CNC(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000417103367 499973529 /nfs/dbraw/zinc/97/35/29/499973529.db2.gz DAQCPBOGDGEBGV-UWJYYQICSA-N 2 0 366.509 3.170 20 0 FGADRP C[NH+](C)[C@@H](CC(=O)NCC1CCN(c2cc[nH+]cc2)CC1)c1ccccc1 ZINC000416195018 499977297 /nfs/dbraw/zinc/97/72/97/499977297.db2.gz USRXSWKQLCQCQI-NRFANRHFSA-N 2 0 366.509 3.107 20 0 FGADRP CC(C)(C)[NH+]1CCC(NC(=O)N[C@H](C[NH3+])c2ccc3ccccc3c2)CC1 ZINC000417178175 499996178 /nfs/dbraw/zinc/99/61/78/499996178.db2.gz MJJXLDUKAUEQOY-HXUWFJFHSA-N 2 0 368.525 3.402 20 0 FGADRP CC[N@H+](C)Cc1cccc(CNC(=O)N2CCCC[C@H]2[C@H]2CCC[NH2+]C2)c1 ZINC000417399442 500061303 /nfs/dbraw/zinc/06/13/03/500061303.db2.gz IGTBJSNJVUOCDI-SFTDATJTSA-N 2 0 372.557 3.202 20 0 FGADRP c1ccc(C[N@@H+]2CC[C@@H]3CN(c4ccnc(N5CCCCC5)n4)C[C@@H]32)cc1 ZINC000425272268 500061945 /nfs/dbraw/zinc/06/19/45/500061945.db2.gz FQJDMQMSINPIQC-UXHICEINSA-N 2 0 363.509 3.178 20 0 FGADRP CCC[NH+](CCC)CCCNC(=O)N1CCCC[C@@H]1[C@H]1CCC[NH2+]C1 ZINC000417469830 500082820 /nfs/dbraw/zinc/08/28/20/500082820.db2.gz QWRZKYPONFFQJF-RBUKOAKNSA-N 2 0 352.567 3.062 20 0 FGADRP C[C@@H]([NH3+])c1ccc(CNC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2)cc1 ZINC000429519381 500091994 /nfs/dbraw/zinc/09/19/94/500091994.db2.gz VWRMRJVEMCNIRQ-UTKZUKDTSA-N 2 0 351.494 3.377 20 0 FGADRP O[C@H](C[NH2+]Cc1cccc(C[NH+]2CCCC2)c1)COCc1cccs1 ZINC000576509024 506175371 /nfs/dbraw/zinc/17/53/71/506175371.db2.gz OEYPCHUTRYCNMI-LJQANCHMSA-N 2 0 360.523 3.011 20 0 FGADRP CC[C@H](NC(=O)CN1CCC[C@H]([NH+](C)C)CC1)c1ccc(Cl)cc1 ZINC000429541306 500097086 /nfs/dbraw/zinc/09/70/86/500097086.db2.gz ONYSDXODTAGOLT-ROUUACIJSA-N 2 0 351.922 3.323 20 0 FGADRP C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CCN(C(C)(C)C)C1=O ZINC000425458629 500112012 /nfs/dbraw/zinc/11/20/12/500112012.db2.gz MQSLAZIDBVFOTG-LJQANCHMSA-N 2 0 358.530 3.019 20 0 FGADRP C[C@@H](CNC(=O)N(CCC[NH3+])Cc1ccccc1)[N@H+](C)Cc1ccccc1 ZINC000417578066 500114853 /nfs/dbraw/zinc/11/48/53/500114853.db2.gz KMRKVPOMCISYGX-IBGZPJMESA-N 2 0 368.525 3.068 20 0 FGADRP C[C@@H](CCC[NH3+])NC(=O)NC[C@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1 ZINC000417581603 500116366 /nfs/dbraw/zinc/11/63/66/500116366.db2.gz TXHDXMGUFBAEPQ-MAUKXSAKSA-N 2 0 366.937 3.121 20 0 FGADRP C[N@@H+]1CCN(C[C@H]2C[NH+](Cc3ccccc3)CCCO2)C2(CCCCC2)C1 ZINC000429682239 500123465 /nfs/dbraw/zinc/12/34/65/500123465.db2.gz FZVCGJQOGKQEEO-JOCHJYFZSA-N 2 0 371.569 3.228 20 0 FGADRP [NH3+]C[C@H](NC(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1)C1CCCCC1 ZINC000416822246 500129998 /nfs/dbraw/zinc/12/99/98/500129998.db2.gz WRSGAKPRVOCQFP-ZWKOTPCHSA-N 2 0 362.518 3.013 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)N1CC[C@@](C)(C[NH3+])C1)c1ccccc1Cl ZINC000416824850 500130280 /nfs/dbraw/zinc/13/02/80/500130280.db2.gz AGMTTYJHCVIFKM-HKUYNNGSSA-N 2 0 366.937 3.103 20 0 FGADRP C[C@H](CCCC[NH3+])NC(=O)NC[C@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000416829233 500131565 /nfs/dbraw/zinc/13/15/65/500131565.db2.gz FOXKLIMUICKSGX-IAGOWNOFSA-N 2 0 366.575 3.338 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N[C@@H]1CC[NH2+][C@H](C)C1)c1ccccc1Cl ZINC000416842880 500136068 /nfs/dbraw/zinc/13/60/68/500136068.db2.gz NUMODRQELUFHPE-IIDMSEBBSA-N 2 0 366.937 3.163 20 0 FGADRP COc1ccc(C[C@H](C)[NH2+]C[C@H]2CC[N@H+](CCc3ccccc3)C2)cn1 ZINC000414065629 500142528 /nfs/dbraw/zinc/14/25/28/500142528.db2.gz GFHLXSLBXDIQPR-GHTZIAJQSA-N 2 0 353.510 3.175 20 0 FGADRP CCC(CC)(CNC(=O)N[C@@H]1CC[C@H](C[NH3+])C1)[NH2+][C@@H](C)c1ccccc1 ZINC000417695657 500151148 /nfs/dbraw/zinc/15/11/48/500151148.db2.gz BMCLZMDJTGULMC-JENIJYKNSA-N 2 0 360.546 3.323 20 0 FGADRP CCC(CC)(CNC(=O)NC1(C)CC[NH2+]CC1)[NH2+][C@H](C)c1ccccc1 ZINC000417697769 500151360 /nfs/dbraw/zinc/15/13/60/500151360.db2.gz FETJULJGMKTAHI-QGZVFWFLSA-N 2 0 360.546 3.337 20 0 FGADRP C[C@@H]([NH2+]C1(CNC(=O)N2CCC[C@@H](CC[NH3+])C2)CCCC1)c1ccccc1 ZINC000417706247 500153373 /nfs/dbraw/zinc/15/33/73/500153373.db2.gz OVOWESQVQNGFIH-MOPGFXCFSA-N 2 0 372.557 3.420 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000416968837 500169655 /nfs/dbraw/zinc/16/96/55/500169655.db2.gz ATZWMJXJPPOOJM-UIFIKXQLSA-N 2 0 370.541 3.097 20 0 FGADRP CCCN(C(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1)[C@@H]1CC[NH2+]C1 ZINC000416970124 500170059 /nfs/dbraw/zinc/17/00/59/500170059.db2.gz MTONODFEDALZRC-WIYYLYMNSA-N 2 0 372.557 3.202 20 0 FGADRP C[NH2+]CCC1CCN(C(=O)NCc2ccccc2C[N@H+](C)C(C)C)CC1 ZINC000416970173 500170085 /nfs/dbraw/zinc/17/00/85/500170085.db2.gz MVXRRGROTDWJBX-UHFFFAOYSA-N 2 0 360.546 3.058 20 0 FGADRP CCCN(C(=O)NCc1cccc(C[NH+](CC)CC)c1)C1CC[NH2+]CC1 ZINC000416985866 500175541 /nfs/dbraw/zinc/17/55/41/500175541.db2.gz QXKYCMYCSCOEBN-UHFFFAOYSA-N 2 0 360.546 3.202 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)N3CC[C@H]([NH3+])[C@@H](C)C3)cc2)C1 ZINC000417001206 500180877 /nfs/dbraw/zinc/18/08/77/500180877.db2.gz ZOHCNIMDMURZBF-NYUBLWNDSA-N 2 0 372.557 3.043 20 0 FGADRP C[NH2+][C@H](CC(C)(C)C)C(=O)N1CCCC[C@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000417841531 500181938 /nfs/dbraw/zinc/18/19/38/500181938.db2.gz XMNWFXPYAKTXFP-ZCNNSNEGSA-N 2 0 359.558 3.209 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N1CCCC[C@H]1[C@H](C)[NH3+])c1ccsc1 ZINC000417006545 500182198 /nfs/dbraw/zinc/18/21/98/500182198.db2.gz JSTUHQWMTRJDOX-BHYGNILZSA-N 2 0 352.548 3.042 20 0 FGADRP CC1CC[NH+](CCCCNC(=O)N2CCCC[C@H]2[C@@H]2CCC[NH2+]C2)CC1 ZINC000417021535 500185906 /nfs/dbraw/zinc/18/59/06/500185906.db2.gz GSNLDAKCKAGJPO-UXHICEINSA-N 2 0 364.578 3.062 20 0 FGADRP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)NC1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000417888220 500192524 /nfs/dbraw/zinc/19/25/24/500192524.db2.gz IRUMWEBWYUWHJB-JPLJXNOCSA-N 2 0 372.557 3.054 20 0 FGADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)NCC[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000417919343 500198241 /nfs/dbraw/zinc/19/82/41/500198241.db2.gz FSSAAMLZUKTVGS-HLAWJBBLSA-N 2 0 374.573 3.302 20 0 FGADRP CCC1(CNC(=O)N2CC[C@H]([C@@H](C)[NH3+])C2)CC[NH+](Cc2ccccc2)CC1 ZINC000417922390 500198376 /nfs/dbraw/zinc/19/83/76/500198376.db2.gz IXDVXFVDMXVHRR-QUCCMNQESA-N 2 0 372.557 3.058 20 0 FGADRP CCCC[C@H](C[NH3+])NC(=O)NCC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000417923207 500198769 /nfs/dbraw/zinc/19/87/69/500198769.db2.gz KLMYVWYJJSJPFT-MISYRCLQSA-N 2 0 360.546 3.104 20 0 FGADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H]1CCN(Cc2ccccc2)C2(CC2)C1 ZINC000579472097 506182549 /nfs/dbraw/zinc/18/25/49/506182549.db2.gz AEDNCSGNHCDAQY-SFTDATJTSA-N 2 0 359.558 3.130 20 0 FGADRP C[NH+](C)CCOCC[NH2+]Cc1cnn(C2CCCC2)c1-c1ccccc1 ZINC000422082915 500212582 /nfs/dbraw/zinc/21/25/82/500212582.db2.gz GOHOYMZITITPTB-UHFFFAOYSA-N 2 0 356.514 3.333 20 0 FGADRP C[C@H](CCCC[NH3+])NC(=O)NCc1ccccc1C[NH+]1CCC(C)CC1 ZINC000418065772 500224529 /nfs/dbraw/zinc/22/45/29/500224529.db2.gz MDUUTPYBQAPJCA-GOSISDBHSA-N 2 0 360.546 3.235 20 0 FGADRP C[NH+](C)C1CCC(NC(=O)NC(C)(C)CC[NH+]2CCCCCC2)CC1 ZINC000422247216 500241101 /nfs/dbraw/zinc/24/11/01/500241101.db2.gz VYMFGNSEQIOAAO-UHFFFAOYSA-N 2 0 352.567 3.203 20 0 FGADRP C[C@H](NC(=O)N[C@H](CCC[NH3+])c1ccccc1)[C@H](c1ccccc1)[NH+](C)C ZINC000418190127 500245816 /nfs/dbraw/zinc/24/58/16/500245816.db2.gz WBMGJUDWUPRXPN-IOMROCGXSA-N 2 0 368.525 3.457 20 0 FGADRP CCc1ccc([C@H](CNC(=O)N2CC[C@H]([NH3+])[C@@H](C)C2)[NH+](CC)CC)cc1 ZINC000418215426 500250502 /nfs/dbraw/zinc/25/05/02/500250502.db2.gz MXBYOKLNSQDBDL-VDGAXYAQSA-N 2 0 360.546 3.011 20 0 FGADRP CCN(C(=O)C[NH+]1CCC(OCCC[NH3+])CC1)c1cccc2ccccc21 ZINC000430587635 500259129 /nfs/dbraw/zinc/25/91/29/500259129.db2.gz WVPSSJUGGMGGSW-UHFFFAOYSA-N 2 0 369.509 3.023 20 0 FGADRP C[C@@H](c1ccc(Cl)c(Cl)c1)[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430615274 500262060 /nfs/dbraw/zinc/26/20/60/500262060.db2.gz AYSKEXVOSSVMEZ-DZGCQCFKSA-N 2 0 370.324 3.198 20 0 FGADRP C[NH2+]C[C@H]1CCC[N@H+](CCC(=O)NC(c2ccccc2)c2ccccc2)C1 ZINC000430627789 500263773 /nfs/dbraw/zinc/26/37/73/500263773.db2.gz NNHAODZQQCBMIV-LJQANCHMSA-N 2 0 365.521 3.214 20 0 FGADRP CC[N@H+](CCC1CCN(C(=O)NCC[C@@H]2CCC[NH2+]C2)CC1)CC(C)C ZINC000418344775 500265582 /nfs/dbraw/zinc/26/55/82/500265582.db2.gz KWIPOAMDSJHBRT-FQEVSTJZSA-N 2 0 366.594 3.166 20 0 FGADRP CC(C)c1ccc([C@@H]([NH3+])CNC(=O)N2CCC[C@H]([NH+]3CCCC3)C2)cc1 ZINC000418362032 500268334 /nfs/dbraw/zinc/26/83/34/500268334.db2.gz UVSHNKXEAPKYBX-PMACEKPBSA-N 2 0 358.530 3.080 20 0 FGADRP [NH3+][C@H]1CCCCCC[C@H]1C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000430752739 500279779 /nfs/dbraw/zinc/27/97/79/500279779.db2.gz HQAMYJRRGSQOED-UXHICEINSA-N 2 0 361.505 3.204 20 0 FGADRP CC(C)(C[NH+]1CCCC1)NC(=O)N[C@H](C[NH3+])c1ccc2ccccc2c1 ZINC000418496074 500283758 /nfs/dbraw/zinc/28/37/58/500283758.db2.gz CIXBNUAVZVUUJR-LJQANCHMSA-N 2 0 354.498 3.013 20 0 FGADRP Cc1ccc(C(=O)Nc2cccc(C[NH2+][C@@H]3CCOC[C@H]3[C@@H](C)[NH3+])c2)cc1 ZINC000422708267 500287952 /nfs/dbraw/zinc/28/79/52/500287952.db2.gz ISUXCJXUNATJKY-TYCQWZJGSA-N 2 0 367.493 3.089 20 0 FGADRP C[C@H](C[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)N1CCc2ccccc21 ZINC000422714544 500288510 /nfs/dbraw/zinc/28/85/10/500288510.db2.gz LAFLKYSAWTVPAZ-MONBJTKQSA-N 2 0 363.505 3.283 20 0 FGADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C[C@@H](c1cccc(F)c1)N1CCOCC1 ZINC000422720831 500289814 /nfs/dbraw/zinc/28/98/14/500289814.db2.gz TYWPWXIZMFJVAW-QMMLZNLJSA-N 2 0 363.521 3.099 20 0 FGADRP COc1cccc(OC)c1Oc1ccc(C[NH2+][C@H]2CCCC[C@@H]2C[NH3+])cn1 ZINC000422725861 500290196 /nfs/dbraw/zinc/29/01/96/500290196.db2.gz YUIKBXGQQIMWBB-SJORKVTESA-N 2 0 371.481 3.498 20 0 FGADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]CC1(c2ccc(Br)cc2)CCC1 ZINC000422731256 500291752 /nfs/dbraw/zinc/29/17/52/500291752.db2.gz GPUFHYGOINUUSX-XKQJLSEDSA-N 2 0 367.331 3.213 20 0 FGADRP CC1CC[NH+](Cc2cccc(C[NH2+][C@@H]3CCOC[C@@H]3[C@H]3CCC[NH2+]3)c2)CC1 ZINC000422745362 500292929 /nfs/dbraw/zinc/29/29/29/500292929.db2.gz UWVWOFBKLGIZRN-DNVJHFABSA-N 3 0 371.569 3.165 20 0 FGADRP COc1ccccc1[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)N1CCCC1 ZINC000422745633 500293309 /nfs/dbraw/zinc/29/33/09/500293309.db2.gz MPXOICSOSCCVLY-WLRLJWMZSA-N 2 0 357.542 3.342 20 0 FGADRP C[NH+](C)Cc1cc(C[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)ccc1F ZINC000422746275 500293788 /nfs/dbraw/zinc/29/37/88/500293788.db2.gz NOZZTTJKSZXAAH-IRLDBZIGSA-N 3 0 369.484 3.233 20 0 FGADRP COc1ccc([C@H](Cc2ccccc2C)[NH2+][C@H](C)C2C[NH2+]C2)cc1OC ZINC000422778450 500296470 /nfs/dbraw/zinc/29/64/70/500296470.db2.gz HMBNLFYOWSYILE-UZLBHIALSA-N 2 0 354.494 3.494 20 0 FGADRP C[C@H]([NH2+]C1(CN[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)CCOCC1)c1ccccc1 ZINC000422773849 500296632 /nfs/dbraw/zinc/29/66/32/500296632.db2.gz ZKXRSJXRJVOBQW-JKLQHZFJSA-N 2 0 371.569 3.397 20 0 FGADRP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@H]2N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000422797812 500298640 /nfs/dbraw/zinc/29/86/40/500298640.db2.gz OOOYTYJOAOCRHY-CZTZKLFOSA-N 2 0 355.526 3.096 20 0 FGADRP CCOC(=O)C1([C@H](C)[NH2+][C@H](C)c2ccc(OC(F)F)cc2)CC[NH2+]CC1 ZINC000422809223 500300421 /nfs/dbraw/zinc/30/04/21/500300421.db2.gz RKQMPLMGSVPOAT-KGLIPLIRSA-N 2 0 370.440 3.260 20 0 FGADRP C[C@H]([NH2+]CCCOC1CC[NH+](Cc2ccccc2)CC1)c1cnccc1N ZINC000422820153 500301935 /nfs/dbraw/zinc/30/19/35/500301935.db2.gz PEHVWSDYTQGOHA-SFHVURJKSA-N 2 0 368.525 3.216 20 0 FGADRP FC(F)(F)c1ccc(NCCC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)nc1 ZINC000422833318 500303061 /nfs/dbraw/zinc/30/30/61/500303061.db2.gz MLCSEVBJRQDLAB-BRWVUGGUSA-N 2 0 370.463 3.225 20 0 FGADRP CC[C@H](C[NH2+][C@@H]1CCOC[C@@H]1[C@H](C)[NH3+])Oc1cccc(C(F)(F)F)c1 ZINC000422841078 500303973 /nfs/dbraw/zinc/30/39/73/500303973.db2.gz VDNHBYDQZFHJCD-LBRJOISOSA-N 2 0 360.420 3.205 20 0 FGADRP O=C([C@H]1CCC[N@@H+]1C1CC1)N1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000426672625 500304838 /nfs/dbraw/zinc/30/48/38/500304838.db2.gz SBIROOONAGJOGC-FYYLOGMGSA-N 2 0 367.537 3.128 20 0 FGADRP CCOC(=O)C1([C@H](C)[NH2+][C@H]2c3cccc(F)c3CC[C@@H]2C)CC[NH2+]CC1 ZINC000422842655 500304991 /nfs/dbraw/zinc/30/49/91/500304991.db2.gz YTQCZNSJWSJTBZ-YZVOILCLSA-N 2 0 362.489 3.360 20 0 FGADRP Clc1ccc(-n2cc(C[NH+]3CCC4(CC[NH2+]C4)CC3)nn2)cc1Cl ZINC000430904799 500305046 /nfs/dbraw/zinc/30/50/46/500305046.db2.gz ANHSDTMIPHXGAV-UHFFFAOYSA-N 2 0 366.296 3.150 20 0 FGADRP COc1ccccc1N1CC[C@H](C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)C1 ZINC000422851672 500306214 /nfs/dbraw/zinc/30/62/14/500306214.db2.gz PKSATYBRCLQWHR-IYWMVGAKSA-N 2 0 357.542 3.422 20 0 FGADRP Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)c(N2CCOCC2)c1 ZINC000422859235 500306452 /nfs/dbraw/zinc/30/64/52/500306452.db2.gz HDBQENVOHBJUIQ-QHAWAJNXSA-N 2 0 357.542 3.232 20 0 FGADRP Cc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)c(N2CCOCC2)c1 ZINC000422859234 500306607 /nfs/dbraw/zinc/30/66/07/500306607.db2.gz HDBQENVOHBJUIQ-PWRODBHTSA-N 2 0 357.542 3.232 20 0 FGADRP C[C@@H]([NH3+])C1CC[NH+](CC(=O)N[C@H](CC(C)(C)C)c2ccc(F)cc2)CC1 ZINC000430923444 500307946 /nfs/dbraw/zinc/30/79/46/500307946.db2.gz DVGQCHUYLCRIEV-DNVCBOLYSA-N 2 0 363.521 3.478 20 0 FGADRP C[C@@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]Cc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000422874800 500308692 /nfs/dbraw/zinc/30/86/92/500308692.db2.gz DFDVXLDVVNJIAC-CBJMIOPYSA-N 3 0 359.558 3.006 20 0 FGADRP Cc1ccc(CNC(=O)c2cccc(C[NH2+][C@@H]3CCC[C@@H]3C[NH3+])c2)cc1 ZINC000422883287 500310142 /nfs/dbraw/zinc/31/01/42/500310142.db2.gz QJBXRZPAVVJZMM-NHCUHLMSSA-N 2 0 351.494 3.142 20 0 FGADRP COC1CC[NH+](C2(CN[C@@H](C)C[C@@H]3CCCCC[NH2+]3)CCCC2)CC1 ZINC000422891682 500311917 /nfs/dbraw/zinc/31/19/17/500311917.db2.gz VYPQKNLNKQCHJA-OALUTQOASA-N 2 0 351.579 3.310 20 0 FGADRP CCOC(=O)C1([C@H](C)[NH2+]C[C@@H]2CCCO[C@H]2c2ccccc2)CC[NH2+]CC1 ZINC000422908084 500314381 /nfs/dbraw/zinc/31/43/81/500314381.db2.gz XZJYDEHCBNFBRX-IHPCNDPISA-N 2 0 374.525 3.065 20 0 FGADRP COc1cccc(N2CC[C@H](C[NH2+][C@H](Cc3ccccc3)[C@@H](C)[NH3+])C2)c1 ZINC000422907342 500314426 /nfs/dbraw/zinc/31/44/26/500314426.db2.gz XAXVPJKMFPAYOS-SFGWALBWSA-N 2 0 353.510 3.070 20 0 FGADRP COc1cccc(N2CC[C@@H](C[NH2+][C@@H](C)c3ccc(C[NH3+])nc3C)C2)c1 ZINC000422906872 500314467 /nfs/dbraw/zinc/31/44/67/500314467.db2.gz VXYZFYQMHVUWER-RDJZCZTQSA-N 2 0 354.498 3.034 20 0 FGADRP O=C(c1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)cc1)N1CCCCC1 ZINC000422926206 500317789 /nfs/dbraw/zinc/31/77/89/500317789.db2.gz CSWYVBFOXKOABD-PCCBWWKXSA-N 2 0 355.526 3.323 20 0 FGADRP CC[NH+]1CCN(Cc2ccc(N[C@@H](Cc3ccccc3)[C@H](C)[NH3+])cc2)CC1 ZINC000422927669 500318326 /nfs/dbraw/zinc/31/83/26/500318326.db2.gz ZNLFWXXMPWSSDK-CVDCTZTESA-N 2 0 366.553 3.195 20 0 FGADRP C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)NCCC[C@H]2CCC[NH2+]2)CC1 ZINC000418754996 500318787 /nfs/dbraw/zinc/31/87/87/500318787.db2.gz WWBGVDMQWXULFC-OAQYLSRUSA-N 2 0 372.557 3.072 20 0 FGADRP COc1cc(C[NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)ccc1OC1CCCC1 ZINC000422936453 500319659 /nfs/dbraw/zinc/31/96/59/500319659.db2.gz IDOYDXFRQHCADO-XUVXKRRUSA-N 2 0 374.525 3.263 20 0 FGADRP Cc1ccc(NC(=O)COc2ccc(CC[NH2+][C@@H]3CCC[C@H]3[NH3+])cc2)cc1 ZINC000422938474 500319887 /nfs/dbraw/zinc/31/98/87/500319887.db2.gz PPLPKUJSWVPSJC-NHCUHLMSSA-N 2 0 367.493 3.024 20 0 FGADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCOc1ccc(Br)cc1 ZINC000422938304 500319906 /nfs/dbraw/zinc/31/99/06/500319906.db2.gz DOECPBQEHLCQOI-KSSFIOAISA-N 2 0 363.299 3.376 20 0 FGADRP C[C@@H]([NH2+]C[C@H]1CCN(c2ccc(Br)cc2)C1)[C@H]1CCCC[NH2+]1 ZINC000422949886 500322241 /nfs/dbraw/zinc/32/22/41/500322241.db2.gz UWGCSIAVELIDRO-IIDMSEBBSA-N 2 0 366.347 3.396 20 0 FGADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000422951284 500322348 /nfs/dbraw/zinc/32/23/48/500322348.db2.gz XVYCWHARBYYVQZ-RVKKMQEKSA-N 2 0 366.347 3.383 20 0 FGADRP Fc1ccc(OCC[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1F ZINC000422960784 500324015 /nfs/dbraw/zinc/32/40/15/500324015.db2.gz XRTGZZXPSFVZLV-UYAOXDASSA-N 2 0 360.404 3.189 20 0 FGADRP Fc1cccc2c1OCC[C@H]2[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422968688 500325310 /nfs/dbraw/zinc/32/53/10/500325310.db2.gz RWDQRKUQMYXCJH-LVCYWYKZSA-N 2 0 354.425 3.495 20 0 FGADRP O=C(C[NH+]1CCC2(CC[NH2+]C2)CC1)Nc1ccccc1Cc1ccccc1 ZINC000431034258 500326719 /nfs/dbraw/zinc/32/67/19/500326719.db2.gz UZAVWJDZXMRLRQ-UHFFFAOYSA-N 2 0 363.505 3.291 20 0 FGADRP COc1ccc(COCC[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422986717 500326933 /nfs/dbraw/zinc/32/69/33/500326933.db2.gz HEPXKKYAPXLAID-IFMALSPDSA-N 2 0 368.477 3.057 20 0 FGADRP CCOC(=O)C1([C@@H](C)[NH2+]CC2(Cc3ccc(F)cc3)CC2)CC[NH2+]CC1 ZINC000422992732 500328408 /nfs/dbraw/zinc/32/84/08/500328408.db2.gz QGLJABBQURROCB-MRXNPFEDSA-N 2 0 362.489 3.059 20 0 FGADRP CCC1(C[NH2+][C@@H](C2CC2)[C@H]2CNCCO2)CC[NH+](Cc2ccccc2)CC1 ZINC000423003903 500330001 /nfs/dbraw/zinc/33/00/01/500330001.db2.gz NOKXYMVRZJKALB-YADHBBJMSA-N 2 0 371.569 3.035 20 0 FGADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1 ZINC000423024544 500332228 /nfs/dbraw/zinc/33/22/28/500332228.db2.gz LYJBRPMLYYEUPB-CJMONDIMSA-N 2 0 360.452 3.223 20 0 FGADRP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@@H]2[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000423024209 500332640 /nfs/dbraw/zinc/33/26/40/500332640.db2.gz IRKWHHKMGOWCOU-CXUGJCBMSA-N 2 0 354.494 3.180 20 0 FGADRP CCC[N@H+](CCC(=O)Nc1cccc(C(F)(F)F)c1)C1CC[NH2+]CC1 ZINC000431088705 500334629 /nfs/dbraw/zinc/33/46/29/500334629.db2.gz YHXZPQGFPJZXBS-UHFFFAOYSA-N 2 0 357.420 3.498 20 0 FGADRP Fc1cc(CC[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc(F)c1F ZINC000423047407 500334916 /nfs/dbraw/zinc/33/49/16/500334916.db2.gz VEEYHYFZOMAXHI-XLIONFOSSA-N 2 0 362.395 3.492 20 0 FGADRP c1ccc(COCCC2(C[NH2+][C@@H]3CCOC[C@@H]3[C@H]3CCC[NH2+]3)CC2)cc1 ZINC000423052485 500335659 /nfs/dbraw/zinc/33/56/59/500335659.db2.gz QBLRJHCBECDAJK-NJDAHSKKSA-N 2 0 358.526 3.120 20 0 FGADRP c1ccc(COCCC2(C[NH2+][C@@H]3CCOC[C@@H]3[C@@H]3CCC[NH2+]3)CC2)cc1 ZINC000423052488 500335822 /nfs/dbraw/zinc/33/58/22/500335822.db2.gz QBLRJHCBECDAJK-QHAWAJNXSA-N 2 0 358.526 3.120 20 0 FGADRP CCOC(=O)C1([C@@H](C)[NH2+]Cc2ccccc2N2CCCCC2)CC[NH2+]CC1 ZINC000423051099 500335847 /nfs/dbraw/zinc/33/58/47/500335847.db2.gz ZVVAHHGLTDJEFI-GOSISDBHSA-N 2 0 373.541 3.088 20 0 FGADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CCN1CCc2c(Cl)cccc2C1 ZINC000423053294 500336235 /nfs/dbraw/zinc/33/62/35/500336235.db2.gz AHSZAWRRBHSLSK-CQSZACIVSA-N 2 0 358.917 3.211 20 0 FGADRP CC[C@@H]([NH2+]C1CCN(Cc2coc(-c3ccccc3)n2)CC1)[C@@H]1CCC[NH2+]1 ZINC000423081268 500340141 /nfs/dbraw/zinc/34/01/41/500340141.db2.gz CLLAXZGUOUJEKJ-RTWAWAEBSA-N 2 0 368.525 3.426 20 0 FGADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)NCc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000423097109 500341799 /nfs/dbraw/zinc/34/17/99/500341799.db2.gz AJDXTUKLJGOTGK-FDDCHVKYSA-N 2 0 367.537 3.208 20 0 FGADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]Cc1cnc(-c2ccc(Cl)cc2)s1 ZINC000423104352 500342398 /nfs/dbraw/zinc/34/23/98/500342398.db2.gz LXMGHXNOVWIGCA-UVBJJODRSA-N 2 0 351.903 3.305 20 0 FGADRP O=C(Cc1ccccc1)N1CCC[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)C1 ZINC000423117481 500344428 /nfs/dbraw/zinc/34/44/28/500344428.db2.gz VRMNIASIVOFPOS-DXBBTUNJSA-N 2 0 369.553 3.121 20 0 FGADRP CCc1ccc([C@H](CN[C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)[NH+](CC)CC)cc1 ZINC000423137842 500347196 /nfs/dbraw/zinc/34/71/96/500347196.db2.gz XAUUPLFYDJQHSZ-ODAXIHTASA-N 2 0 373.585 3.379 20 0 FGADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+][C@H]1CCc2nc(-c3ccc(F)cc3F)cn2C1 ZINC000423147507 500348596 /nfs/dbraw/zinc/34/85/96/500348596.db2.gz CPTQOELELJLIRV-XUWXXGDYSA-N 2 0 360.452 3.121 20 0 FGADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+][C@@H]1CCc2nc(-c3ccc(F)cc3F)cn2C1 ZINC000423147506 500348602 /nfs/dbraw/zinc/34/86/02/500348602.db2.gz CPTQOELELJLIRV-SIIHOXLZSA-N 2 0 360.452 3.121 20 0 FGADRP C[C@@H]([NH2+]CCCN1CC[NH2+]CC1)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000423183072 500352657 /nfs/dbraw/zinc/35/26/57/500352657.db2.gz RCJBZRGEQBELDD-KGLIPLIRSA-N 2 0 360.329 3.034 20 0 FGADRP Cc1cc(OCCC[C@@H](C)[NH2+]CCCN2CC[NH2+]CC2)ccc1Cl ZINC000423195641 500354224 /nfs/dbraw/zinc/35/42/24/500354224.db2.gz ZVXUMUUEHVLFDV-QGZVFWFLSA-N 2 0 353.938 3.081 20 0 FGADRP Cc1ccc([C@@H]([NH2+]CC[C@@H]2CC[NH2+]C2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000423242978 500357821 /nfs/dbraw/zinc/35/78/21/500357821.db2.gz FYRKWSQBTFVOOP-LAUBAEHRSA-N 2 0 372.534 3.077 20 0 FGADRP C[C@@H]([NH2+]Cc1ccc([C@H](C)[NH3+])cc1)[C@@H](c1ccccc1)N1CCOCC1 ZINC000423290109 500361780 /nfs/dbraw/zinc/36/17/80/500361780.db2.gz CKHWPALETJETLQ-SVMVAKDDSA-N 2 0 353.510 3.258 20 0 FGADRP CC(C)[C@H](C(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)[C@@H](C)[NH3+] ZINC000423312624 500363147 /nfs/dbraw/zinc/36/31/47/500363147.db2.gz SDVGTIXIFFGMAO-KDOFPFPSSA-N 2 0 351.922 3.040 20 0 FGADRP Cc1ccccc1C[NH+]1CCC(NC(=O)c2ccc([C@@H](C)[NH3+])cc2)CC1 ZINC000423338504 500365259 /nfs/dbraw/zinc/36/52/59/500365259.db2.gz RVBRBTBYFMZYPG-QGZVFWFLSA-N 2 0 351.494 3.409 20 0 FGADRP C[C@H](CCc1ccc(I)cc1)[NH2+]CC1=CC[NH2+]CC1 ZINC000423353270 500366587 /nfs/dbraw/zinc/36/65/87/500366587.db2.gz LLZXCMASHYKPBZ-CYBMUJFWSA-N 2 0 370.278 3.122 20 0 FGADRP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)NCc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000423353800 500366902 /nfs/dbraw/zinc/36/69/02/500366902.db2.gz MKGWWSDQQNDJGR-UWJYYQICSA-N 2 0 357.542 3.455 20 0 FGADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000423363474 500367232 /nfs/dbraw/zinc/36/72/32/500367232.db2.gz JCXFGWRNXWHHFN-HSSOGYSNSA-N 2 0 351.485 3.311 20 0 FGADRP CC(C)[C@H]([NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1cc(F)ccc1F ZINC000423391037 500369753 /nfs/dbraw/zinc/36/97/53/500369753.db2.gz PAVFVVGMBZCFDM-HOTGVXAUSA-N 2 0 365.390 3.088 20 0 FGADRP C[C@H]([NH2+][C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)c1ccc(-c2ccccc2)o1 ZINC000423446994 500375265 /nfs/dbraw/zinc/37/52/65/500375265.db2.gz CYFIGELGRSUHAS-REDKUUPNSA-N 2 0 367.493 3.244 20 0 FGADRP CCSc1ccccc1[C@H](C)[NH2+][C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC000423459869 500375937 /nfs/dbraw/zinc/37/59/37/500375937.db2.gz RNCWINBRXCKPOS-NQYLQCIDSA-N 2 0 361.555 3.096 20 0 FGADRP CC1CC[NH+](Cc2ccc(CNC(=O)C[C@@H]3CCC[NH2+]CC3)cc2)CC1 ZINC000427277740 500376974 /nfs/dbraw/zinc/37/69/74/500376974.db2.gz STTVJYVNFBWFKJ-LJQANCHMSA-N 2 0 357.542 3.315 20 0 FGADRP C[C@@H]([NH3+])[C@H](Cc1ccccc1)NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000423473761 500377221 /nfs/dbraw/zinc/37/72/21/500377221.db2.gz NYSALFQISCTVBC-SAIGTISXSA-N 2 0 355.501 3.067 20 0 FGADRP Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@@H]2[NH2+]CCC[C@H]2CCC[NH2+]2)cc1 ZINC000423482619 500377879 /nfs/dbraw/zinc/37/78/79/500377879.db2.gz PJXVVYZDZOHBFB-YZGWKJHDSA-N 2 0 364.555 3.202 20 0 FGADRP CC1CC[NH+](Cc2cccc(CNC(=O)C[C@H]3CCC[NH2+]CC3)c2)CC1 ZINC000427297413 500379036 /nfs/dbraw/zinc/37/90/36/500379036.db2.gz ZTOFJIZRXFCLHS-IBGZPJMESA-N 2 0 357.542 3.315 20 0 FGADRP CC1(C)[C@@H]([NH2+]C2CCC([NH+]3CCNCC3)CC2)C[C@@H]1Oc1ccccc1 ZINC000423510315 500380288 /nfs/dbraw/zinc/38/02/88/500380288.db2.gz NLFOMOSLNOBHES-RQWVFBBXSA-N 2 0 357.542 3.039 20 0 FGADRP Cc1ccc(OC(F)F)c([C@@H](C)[NH2+]C2CCC([NH+]3CCNCC3)CC2)c1 ZINC000423522178 500381589 /nfs/dbraw/zinc/38/15/89/500381589.db2.gz UCWMRZMRMSQMHF-KLAILNCOSA-N 2 0 367.484 3.463 20 0 FGADRP C[C@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)c1ccc(OC(F)(F)F)cc1 ZINC000423518762 500381791 /nfs/dbraw/zinc/38/17/91/500381791.db2.gz PHVXOJULZBRTIR-OOHWJJMZSA-N 2 0 371.447 3.452 20 0 FGADRP COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000423525044 500382436 /nfs/dbraw/zinc/38/24/36/500382436.db2.gz XTCFYYITPZREOB-BPZDKFOGSA-N 2 0 357.542 3.224 20 0 FGADRP C[C@@H](CC(=O)Nc1cccc(F)c1)[NH2+]CC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000423525236 500382558 /nfs/dbraw/zinc/38/25/58/500382558.db2.gz KGTIXZDABYKZKC-PUGNBPNRSA-N 2 0 359.489 3.286 20 0 FGADRP C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000423537009 500383552 /nfs/dbraw/zinc/38/35/52/500383552.db2.gz BPEXTKILMQVSOO-NOCIGQNYSA-N 2 0 363.933 3.055 20 0 FGADRP C[C@@H](N[C@@H]1C[NH2+]C[C@H]1c1ccccc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000423533159 500383844 /nfs/dbraw/zinc/38/38/44/500383844.db2.gz SLXJBPZOHJHDQZ-VOQZNFBZSA-N 2 0 353.510 3.033 20 0 FGADRP C[C@H]([NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1)c1ccccc1N(C)C ZINC000423576279 500386217 /nfs/dbraw/zinc/38/62/17/500386217.db2.gz QWMJWUYDSRVCOA-IBGZPJMESA-N 2 0 366.553 3.397 20 0 FGADRP NC1(C[NH2+][C@@H]2CCCc3c(O)cccc32)CC[NH+](Cc2ccccc2)CC1 ZINC000423579892 500386312 /nfs/dbraw/zinc/38/63/12/500386312.db2.gz WVAHLNWHHNSFKO-OAQYLSRUSA-N 2 0 365.521 3.353 20 0 FGADRP C[C@@H](NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1)c1ccc(Cl)cn1 ZINC000423579942 500386900 /nfs/dbraw/zinc/38/69/00/500386900.db2.gz XBOYRCHWAOAUEU-MRXNPFEDSA-N 2 0 358.917 3.379 20 0 FGADRP COc1ccccc1[C@H](CNC(=O)CC[C@H]1CCCC[N@@H+]1C)[NH+]1CCCC1 ZINC000431572950 500393911 /nfs/dbraw/zinc/39/39/11/500393911.db2.gz YWVAYRMHUIOONK-QUCCMNQESA-N 2 0 373.541 3.213 20 0 FGADRP C[C@H](c1cccc(F)c1)N1CCN(C(=O)C[C@H](C)C2CC[NH2+]CC2)CC1 ZINC000423744488 500398118 /nfs/dbraw/zinc/39/81/18/500398118.db2.gz NZZJOAPPZZWAIZ-DLBZAZTESA-N 2 0 361.505 3.057 20 0 FGADRP C[NH2+]CCc1ccccc1C(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000423791972 500401826 /nfs/dbraw/zinc/40/18/26/500401826.db2.gz HTTVBFOSHREVGT-UHFFFAOYSA-N 2 0 357.542 3.177 20 0 FGADRP CC(C)[C@H](C(=O)NC[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1)[C@@H](C)[NH3+] ZINC000423810718 500404493 /nfs/dbraw/zinc/40/44/93/500404493.db2.gz BDCPRVHUQVCTLA-GLFJAGTFSA-N 2 0 369.912 3.208 20 0 FGADRP CC1CC[NH+](CCc2cccc(NC(=O)c3csc(CN)n3)c2)CC1 ZINC000423847588 500410992 /nfs/dbraw/zinc/41/09/92/500410992.db2.gz PBKCQSNZFOSQDE-UHFFFAOYSA-N 2 0 358.511 3.129 20 0 FGADRP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)CC[C@H]1CCCC[NH+]1C ZINC000431852933 500434504 /nfs/dbraw/zinc/43/45/04/500434504.db2.gz CEIJEPHYIODHLW-LEWJYISDSA-N 2 0 357.542 3.231 20 0 FGADRP COc1ccc([C@H](C[NH3+])C[N@@H+]2CCC[C@H]2c2cccc3c2OCCO3)cc1 ZINC000420302464 500437319 /nfs/dbraw/zinc/43/73/19/500437319.db2.gz MHXLPXVISYNZHL-XLIONFOSSA-N 2 0 368.477 3.346 20 0 FGADRP CCc1ccsc1C(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000424016052 500437385 /nfs/dbraw/zinc/43/73/85/500437385.db2.gz AZKDWQVNYRADSG-UHFFFAOYSA-N 2 0 357.523 3.034 20 0 FGADRP COc1ccc([C@@H](C[NH3+])C[N@@H+]2CCC[C@H]2c2cccc3c2OCCO3)cc1 ZINC000420302463 500437617 /nfs/dbraw/zinc/43/76/17/500437617.db2.gz MHXLPXVISYNZHL-PXNSSMCTSA-N 2 0 368.477 3.346 20 0 FGADRP FC(F)(F)c1cccc(CN2CC[NH+](CC[C@@H]3CCC[NH2+]C3)CC2)c1 ZINC000420309501 500438468 /nfs/dbraw/zinc/43/84/68/500438468.db2.gz UBZZUFAEEIOVDX-INIZCTEOSA-N 2 0 355.448 3.213 20 0 FGADRP Cc1ncsc1C[N@H+](CCCCC1CCOCC1)C[C@H]1CC[NH2+]C1 ZINC000420311081 500439173 /nfs/dbraw/zinc/43/91/73/500439173.db2.gz MYXXWZPSJLGPRW-SFHVURJKSA-N 2 0 351.560 3.460 20 0 FGADRP C[NH+](C)[C@H](CC(=O)NCCC[N@@H+]1CCc2ccccc2C1)c1ccccc1 ZINC000431894844 500440253 /nfs/dbraw/zinc/44/02/53/500440253.db2.gz VICVZTSOGFVMRA-JOCHJYFZSA-N 2 0 365.521 3.244 20 0 FGADRP CC[NH+](CC)CCOCC[NH2+][C@H]1CCCc2ncc(C(F)(F)F)cc21 ZINC000427873338 500441474 /nfs/dbraw/zinc/44/14/74/500441474.db2.gz KRGWSCRIDCSVEL-INIZCTEOSA-N 2 0 359.436 3.426 20 0 FGADRP O=C(C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)N(c1ccccc1)C1CCCCC1 ZINC000420326329 500442033 /nfs/dbraw/zinc/44/20/33/500442033.db2.gz CEOIZUNDOMETRN-KDURUIRLSA-N 2 0 355.526 3.284 20 0 FGADRP C[C@H](C(=O)Nc1cccc(Cl)c1Cl)[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420328704 500442753 /nfs/dbraw/zinc/44/27/53/500442753.db2.gz FLGHACVIDVUTPO-UPJWGTAASA-N 2 0 356.297 3.252 20 0 FGADRP Brc1ccccc1OCC[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000420340984 500444689 /nfs/dbraw/zinc/44/46/89/500444689.db2.gz UJRHQNHRKNGSKB-MRXNPFEDSA-N 2 0 353.304 3.292 20 0 FGADRP C[C@H](C(=O)N1CCC[C@H]1c1cccs1)[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000420345324 500445732 /nfs/dbraw/zinc/44/57/32/500445732.db2.gz VUNBUTHXPZSPBJ-NJAFHUGGSA-N 2 0 361.555 3.264 20 0 FGADRP CCC[C@H](NC(=O)[C@@H](C)[NH+]1CCC([C@H]2CCC[NH2+]2)CC1)c1ccccc1 ZINC000420343771 500445759 /nfs/dbraw/zinc/44/57/59/500445759.db2.gz RGPHJMSJRADFNC-UIFIKXQLSA-N 2 0 357.542 3.497 20 0 FGADRP Cc1nc([C@H](C)[N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)oc1-c1ccc(Cl)cc1 ZINC000420347288 500446385 /nfs/dbraw/zinc/44/63/85/500446385.db2.gz GJKKBKWFSJMJIE-YJBOKZPZSA-N 2 0 374.916 3.344 20 0 FGADRP Cc1c(Br)cccc1C[NH+]1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000420374650 500450375 /nfs/dbraw/zinc/45/03/75/500450375.db2.gz HSVQUFXHRPFYDE-ZWKOTPCHSA-N 2 0 367.331 3.476 20 0 FGADRP Cc1ccc(-c2noc(CCC[N@@H+]3CCC[C@@]4(CC[NH2+]C4)C3)n2)cc1F ZINC000420377222 500451137 /nfs/dbraw/zinc/45/11/37/500451137.db2.gz PMXPPIQIJNWHTC-FQEVSTJZSA-N 2 0 358.461 3.192 20 0 FGADRP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](CCOc2cccc3ccccc32)CC1 ZINC000420384777 500452280 /nfs/dbraw/zinc/45/22/80/500452280.db2.gz SCUBEINYMCNKSJ-IRLDBZIGSA-N 2 0 354.494 3.437 20 0 FGADRP Cc1ccc(-c2cnc(C[NH+]3CCC([C@H]4C[C@H]([NH3+])CCO4)CC3)o2)cc1 ZINC000420389050 500453154 /nfs/dbraw/zinc/45/31/54/500453154.db2.gz LWFWNTRYXLIEHE-RTBURBONSA-N 2 0 355.482 3.368 20 0 FGADRP C[C@H](c1ccc(OC(F)(F)F)cc1)[N@@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000420388699 500453690 /nfs/dbraw/zinc/45/36/90/500453690.db2.gz XIGGMZZGPWHWLG-DOMZBBRYSA-N 2 0 369.391 3.034 20 0 FGADRP [NH3+][C@@H]1CCO[C@@H](C2CC[NH+](CCOc3ccc(C(F)(F)F)cc3)CC2)C1 ZINC000420397321 500455467 /nfs/dbraw/zinc/45/54/67/500455467.db2.gz XHMLQEYCLANCJV-SJLPKXTDSA-N 2 0 372.431 3.303 20 0 FGADRP CC(C)OC1CC([NH2+]CCCC[NH+]2CCN(Cc3ccccc3)CC2)C1 ZINC000428081861 500466118 /nfs/dbraw/zinc/46/61/18/500466118.db2.gz YHECSKNQVCFTGU-UHFFFAOYSA-N 2 0 359.558 3.130 20 0 FGADRP CCCN(Cc1ccc(C)cc1)C(=O)C[N@@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424289016 500481570 /nfs/dbraw/zinc/48/15/70/500481570.db2.gz LGAKHOHVPHNCHT-LJQANCHMSA-N 2 0 357.542 3.198 20 0 FGADRP C[C@@H]1CC2(C[N@@H+]1CCOc1ccc(OC(F)(F)F)cc1)CC[NH2+]CC2 ZINC000424287020 500481789 /nfs/dbraw/zinc/48/17/89/500481789.db2.gz ICXKPZIITYBRAX-CQSZACIVSA-N 2 0 358.404 3.428 20 0 FGADRP C[C@H](NC(=O)C[N@@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2)c1ccc2ccccc2c1 ZINC000424292129 500482118 /nfs/dbraw/zinc/48/21/18/500482118.db2.gz OCRPFMINDWNQRU-ROUUACIJSA-N 2 0 365.521 3.481 20 0 FGADRP COc1cccc(C[NH+]2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)c1OC(C)C ZINC000573460416 506199325 /nfs/dbraw/zinc/19/93/25/506199325.db2.gz FHJKLOJOYQLNSR-UYAOXDASSA-N 2 0 362.514 3.201 20 0 FGADRP Cc1cc(C[NH3+])cc(NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)c1 ZINC000424427693 500503203 /nfs/dbraw/zinc/50/32/03/500503203.db2.gz QKHIZWHTQHSCJJ-JXFKEZNVSA-N 2 0 352.482 3.238 20 0 FGADRP Cc1cc(C[NH3+])cc(NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000424430915 500503695 /nfs/dbraw/zinc/50/36/95/500503695.db2.gz DVPAFHYBGNTXHB-UTKZUKDTSA-N 2 0 366.509 3.486 20 0 FGADRP CC1CC[NH+](CCc2cccc(NC(=O)NCC[N@H+]3CC=CCC3)c2)CC1 ZINC000432357229 500504260 /nfs/dbraw/zinc/50/42/60/500504260.db2.gz KTGKFOZGJSTBRS-UHFFFAOYSA-N 2 0 370.541 3.344 20 0 FGADRP Cc1cc(C[NH3+])cc(NC(=O)N[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)c1 ZINC000424439141 500506091 /nfs/dbraw/zinc/50/60/91/500506091.db2.gz REWNTOFNAUQFBB-UZLBHIALSA-N 2 0 352.482 3.238 20 0 FGADRP C[C@@H]1C[N@H+](CCC[NH2+][C@H]2CCCOc3cc4c(cc32)CCC4)CCCO1 ZINC000432421679 500514842 /nfs/dbraw/zinc/51/48/42/500514842.db2.gz AOHDMENCZKOWTH-UTKZUKDTSA-N 2 0 358.526 3.480 20 0 FGADRP [NH3+][C@@H]1CCCC[C@H]1CC(=O)Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1 ZINC000573482075 506202058 /nfs/dbraw/zinc/20/20/58/506202058.db2.gz FDTVDSXEMGPWIQ-GHTZIAJQSA-N 2 0 370.541 3.065 20 0 FGADRP CC[C@@H]1CN(C(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000573486022 506202637 /nfs/dbraw/zinc/20/26/37/506202637.db2.gz VRLNPLAEFDNKGR-BJOMATTFSA-N 2 0 369.553 3.263 20 0 FGADRP OCC[C@@H]1CCC[NH+](CCCCC[N@H+]2CCC[C@@H](CCO)CC2)CC1 ZINC000421020638 500556503 /nfs/dbraw/zinc/55/65/03/500556503.db2.gz RIJPEFXORBKODN-NHCUHLMSSA-N 2 0 354.579 3.126 20 0 FGADRP CC[N@@H+]1C[C@@H](C)N(C(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)C[C@@H]1C ZINC000428800287 500558939 /nfs/dbraw/zinc/55/89/39/500558939.db2.gz LKYHWEZRRXLXGU-RBUKOAKNSA-N 2 0 357.542 3.230 20 0 FGADRP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000421061930 500568554 /nfs/dbraw/zinc/56/85/54/500568554.db2.gz GKOIQJDIJWEORI-IBGZPJMESA-N 2 0 374.529 3.109 20 0 FGADRP CC[NH+](CC)CCN(CC(C)C)C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000442234859 500573890 /nfs/dbraw/zinc/57/38/90/500573890.db2.gz HEBHCAAHALYLKJ-UHFFFAOYSA-N 2 0 354.583 3.116 20 0 FGADRP C[NH+]1CCC(C[NH2+][C@H]2Cc3[nH]c4ccccc4c3C2)(N2CCCCC2)CC1 ZINC000442766824 500622902 /nfs/dbraw/zinc/62/29/02/500622902.db2.gz LQZHQVKMCLUTMF-GOSISDBHSA-N 2 0 366.553 3.175 20 0 FGADRP CC(C)(CNC(=O)CCC[NH+]1CCC([NH3+])CC1)c1ccc(F)cc1Cl ZINC000433117229 500630025 /nfs/dbraw/zinc/63/00/25/500630025.db2.gz OEZBFHLCQLREHP-UHFFFAOYSA-N 2 0 369.912 3.076 20 0 FGADRP C[N@@H+]1CCN(CC[NH2+]C(Cc2ccccc2)Cc2ccccc2)CC1(C)C ZINC000442864511 500636106 /nfs/dbraw/zinc/63/61/06/500636106.db2.gz AAWXZJVCFPPJKD-UHFFFAOYSA-N 2 0 365.565 3.456 20 0 FGADRP C[C@H](CCc1ccc(OC(F)F)cc1)[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000442869573 500636997 /nfs/dbraw/zinc/63/69/97/500636997.db2.gz DQUCUUDFGYMZJT-MRXNPFEDSA-N 2 0 369.500 3.225 20 0 FGADRP [NH3+]CC[C@@H]1CCC[N@H+](Cc2cn(-c3cccc(Cl)c3Cl)nn2)C1 ZINC000442899684 500644343 /nfs/dbraw/zinc/64/43/43/500644343.db2.gz KPMZVCRCVVSKBK-LBPRGKRZSA-N 2 0 354.285 3.135 20 0 FGADRP [NH3+]CC[C@H]1CCC[N@H+](Cc2cc(Br)c3c(c2)OCCCO3)C1 ZINC000442923694 500647342 /nfs/dbraw/zinc/64/73/42/500647342.db2.gz WQBFYRRUXGZCTH-CYBMUJFWSA-N 2 0 369.303 3.171 20 0 FGADRP [NH3+]CC[C@@H]1CCC[N@H+](Cc2nc(-c3ccc(Br)cc3)c[nH]2)C1 ZINC000442929598 500649186 /nfs/dbraw/zinc/64/91/86/500649186.db2.gz SCAXCTSXXDUDCE-ZDUSSCGKSA-N 2 0 363.303 3.400 20 0 FGADRP CC(C)C[NH+]1CCC(NC(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)CC1 ZINC000437637779 500673452 /nfs/dbraw/zinc/67/34/52/500673452.db2.gz WSKWTPIGXQWTPC-FQEVSTJZSA-N 2 0 364.578 3.203 20 0 FGADRP C[NH+](C)[C@H](CC(=O)N(Cc1ccco1)C1CC[NH+](C)CC1)c1ccccc1 ZINC000433344898 500677522 /nfs/dbraw/zinc/67/75/22/500677522.db2.gz VFJYWVWAQJOQJN-OAQYLSRUSA-N 2 0 369.509 3.395 20 0 FGADRP C[C@H](NC(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1)C(C)(C)C[NH+](C)C ZINC000437808960 500699890 /nfs/dbraw/zinc/69/98/90/500699890.db2.gz HEHYTTIUWVWDLN-WMZOPIPTSA-N 2 0 352.567 3.059 20 0 FGADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H](O)Cc2ccccc2C(F)(F)F)[C@@H](C)C1 ZINC000443574986 500740812 /nfs/dbraw/zinc/74/08/12/500740812.db2.gz GCHGMHCHOGGWFQ-ZVZYQTTQSA-N 2 0 358.448 3.271 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)N[C@H]2CC[C@H](C[NH3+])C2)C1 ZINC000570693694 506214106 /nfs/dbraw/zinc/21/41/06/506214106.db2.gz RJTADPDAZZTTJF-NYUBLWNDSA-N 2 0 372.557 3.091 20 0 FGADRP C[N@H+](CC[C@@H]1CCCC[NH+]1C)C[C@@H](O)Cc1ccccc1C(F)(F)F ZINC000443615084 500745884 /nfs/dbraw/zinc/74/58/84/500745884.db2.gz HZJRPSZVZMPZAA-IRXDYDNUSA-N 2 0 358.448 3.415 20 0 FGADRP C[C@@H](NC(=O)N(CC[NH+](C)C)CC1CCCCC1)C(C)(C)C[NH+](C)C ZINC000443679115 500754822 /nfs/dbraw/zinc/75/48/22/500754822.db2.gz FDRXBCYNZDLVGO-QGZVFWFLSA-N 2 0 354.583 3.116 20 0 FGADRP FC(F)(F)[C@@H]1CCC[C@@H]([NH2+]CCCN2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000438209620 500755040 /nfs/dbraw/zinc/75/50/40/500755040.db2.gz DAGHXSJHSNYSAG-IAGOWNOFSA-N 2 0 370.463 3.304 20 0 FGADRP O=C(NC[C@H]1CCCC[N@@H+]1C1CC1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000433939162 500768487 /nfs/dbraw/zinc/76/84/87/500768487.db2.gz GNBUVXUWJYWOHM-HXUWFJFHSA-N 2 0 362.562 3.100 20 0 FGADRP O=C(NC[C@H]1CCC[N@@H+]1C1CCCCC1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000438329027 500770735 /nfs/dbraw/zinc/77/07/35/500770735.db2.gz OXFMLAQFOXFUNQ-WOJBJXKFSA-N 2 0 362.562 3.053 20 0 FGADRP O=C(NC1CC[NH+](Cc2ccc(F)cc2)CC1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000438542642 500798953 /nfs/dbraw/zinc/79/89/53/500798953.db2.gz CMRZYQCHIVWYCP-OAQYLSRUSA-N 2 0 373.516 3.313 20 0 FGADRP C[C@H](C(=O)N(C)[C@@H]1CC[N@H+](C)C[C@H]1C)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000607660295 506219456 /nfs/dbraw/zinc/21/94/56/506219456.db2.gz DVQKBLGEIRCFQL-WOIUINJBSA-N 2 0 371.569 3.128 20 0 FGADRP CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000438958838 500840748 /nfs/dbraw/zinc/84/07/48/500840748.db2.gz KPVOJRVMNAONMC-KRWDZBQOSA-N 2 0 352.567 3.105 20 0 FGADRP Cc1cc(N2CCC([NH2+]C3CC[NH+]([C@H]4CCC[C@@H](C)C4)CC3)CC2)n[nH]1 ZINC000439146047 500863771 /nfs/dbraw/zinc/86/37/71/500863771.db2.gz LADUXSVXIHBRPZ-UZLBHIALSA-N 2 0 359.562 3.320 20 0 FGADRP C[C@H](CNC(=O)N(CC[NH+](C)C)Cc1cccs1)[N@@H+]1CCCC[C@H]1C ZINC000439177352 500866604 /nfs/dbraw/zinc/86/66/04/500866604.db2.gz LEYIMLYOUWIEEI-IAGOWNOFSA-N 2 0 366.575 3.084 20 0 FGADRP Cc1cnc(C[NH2+]CCCC[NH+]2CCN(c3cccc(C)c3)CC2)s1 ZINC000449075060 500918119 /nfs/dbraw/zinc/91/81/19/500918119.db2.gz QOXZAJICCVQPJN-UHFFFAOYSA-N 2 0 358.555 3.452 20 0 FGADRP CCc1ccc([C@H](CNC(=O)NCC2CC[NH+](C3CC3)CC2)[NH+](C)C)cc1 ZINC000444890220 500918274 /nfs/dbraw/zinc/91/82/74/500918274.db2.gz VOOIHIMCXPAHPZ-NRFANRHFSA-N 2 0 372.557 3.025 20 0 FGADRP C[C@H](COc1ccc(Cl)c(Cl)c1)[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000449076621 500918476 /nfs/dbraw/zinc/91/84/76/500918476.db2.gz PRJPLHMDQGXKCY-CQSZACIVSA-N 2 0 374.356 3.376 20 0 FGADRP CC(C)COc1ccccc1C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000449077731 500918928 /nfs/dbraw/zinc/91/89/28/500918928.db2.gz WNGWPMRUZCAUPT-UHFFFAOYSA-N 2 0 368.525 3.158 20 0 FGADRP CCn1nnc(C)c1C[NH2+]Cc1ccc(C[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000449081082 500919305 /nfs/dbraw/zinc/91/93/05/500919305.db2.gz BPKGLZAPEWIPEI-IRXDYDNUSA-N 2 0 355.530 3.374 20 0 FGADRP CC[NH+]1CCN(c2ccc(C[NH2+]Cc3cccc4ccoc43)cn2)CC1 ZINC000449083208 500920734 /nfs/dbraw/zinc/92/07/34/500920734.db2.gz SHNMKNUZSYTTTA-UHFFFAOYSA-N 2 0 350.466 3.260 20 0 FGADRP CC[NH+](CC)CCOc1ccc(C[NH2+][C@@H]2C[C@H](C)O[C@@H]2C)cc1OC ZINC000449090672 500922491 /nfs/dbraw/zinc/92/24/91/500922491.db2.gz ODMZWSKZILFMCY-LZLYRXPVSA-N 2 0 350.503 3.071 20 0 FGADRP C[C@H](Cc1coc2ccccc12)[NH2+]Cc1cccnc1N1CC[NH+](C)CC1 ZINC000449104417 500926771 /nfs/dbraw/zinc/92/67/71/500926771.db2.gz FMXCMQIWBBPJJK-QGZVFWFLSA-N 2 0 364.493 3.300 20 0 FGADRP C[C@@H](C[NH2+][C@@H](C)COc1ccc(Cl)c(Cl)c1)CN1CC[NH+](C)CC1 ZINC000449129662 500931385 /nfs/dbraw/zinc/93/13/85/500931385.db2.gz DENNCSLZTPWYLD-GJZGRUSLSA-N 2 0 374.356 3.234 20 0 FGADRP NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+][C@H]2CC[C@H](c3ccc(Cl)cc3)C2)C1 ZINC000449134130 500932672 /nfs/dbraw/zinc/93/26/72/500932672.db2.gz HCKWGUKNUXZBNY-SCTDSRPQSA-N 2 0 363.933 3.153 20 0 FGADRP COCC1CCC([NH2+]CCc2ccc(OCC[NH+]3CCCC3)cc2)CC1 ZINC000449209295 500948452 /nfs/dbraw/zinc/94/84/52/500948452.db2.gz USZVSUBYXICJLN-UHFFFAOYSA-N 2 0 360.542 3.499 20 0 FGADRP C[C@H](C[NH2+]Cc1cccc(C[NH+](C)C)c1)c1ccc(S(C)(=O)=O)cc1 ZINC000449219779 500951310 /nfs/dbraw/zinc/95/13/10/500951310.db2.gz NZLVZIRVEVQUBG-MRXNPFEDSA-N 2 0 360.523 3.045 20 0 FGADRP C[N@H+](Cc1cn(Cc2ccccc2)nc1-c1cccnc1)CC(C)(C)C[NH3+] ZINC000435377116 500962802 /nfs/dbraw/zinc/96/28/02/500962802.db2.gz YCYPOLDEDNOLIG-UHFFFAOYSA-N 2 0 363.509 3.410 20 0 FGADRP COc1ccc(CN2CCC[C@@H](C)[C@H]2C[NH3+])cc1OCc1cccnc1 ZINC000435391363 500966588 /nfs/dbraw/zinc/96/65/88/500966588.db2.gz SEHDGDTYKKKVPB-VQIMIIECSA-N 2 0 355.482 3.228 20 0 FGADRP C[C@@H](COc1ccc(Cl)c(Cl)c1)[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000449305317 500971589 /nfs/dbraw/zinc/97/15/89/500971589.db2.gz RTLXRZVHMAQNAZ-AWEZNQCLSA-N 2 0 374.356 3.376 20 0 FGADRP COc1cccc(CN(Cc2scnc2C)C[C@H]2CC[NH2+]C2)c1OC ZINC000435426830 500972661 /nfs/dbraw/zinc/97/26/61/500972661.db2.gz KBYGAYMCMRMDMS-HNNXBMFYSA-N 2 0 361.511 3.080 20 0 FGADRP O=C(NCC1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000440098117 500974780 /nfs/dbraw/zinc/97/47/80/500974780.db2.gz DSLAVULAKBRGSM-QFIPXVFZSA-N 2 0 369.553 3.422 20 0 FGADRP CC[C@@H]1C[C@H](C[N@H+](Cc2nccn2CC)[C@H]2CC23CC[NH2+]CC3)CCO1 ZINC000435437004 500976951 /nfs/dbraw/zinc/97/69/51/500976951.db2.gz IBZLHDAQZVIZSS-QRVBRYPASA-N 2 0 360.546 3.052 20 0 FGADRP COc1cc2ccccc2cc1C[N@@H+]1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000449326453 500978838 /nfs/dbraw/zinc/97/88/38/500978838.db2.gz VWRTUERDKRWGBD-SFHVURJKSA-N 2 0 367.537 3.449 20 0 FGADRP CCC[C@H](C)C(=O)NCC[NH2+]C1CC[NH+]([C@H](C)Cc2ccccc2)CC1 ZINC000449338741 500981592 /nfs/dbraw/zinc/98/15/92/500981592.db2.gz HQQBKUCPEHSGIZ-RBUKOAKNSA-N 2 0 359.558 3.224 20 0 FGADRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2cc(C)c(Br)s2)CC1 ZINC000449747683 501074836 /nfs/dbraw/zinc/07/48/36/501074836.db2.gz XWMBKVSBAHZOSY-UHFFFAOYSA-N 2 0 374.392 3.325 20 0 FGADRP CO[C@@H](Cc1ccccc1)C[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000450339779 501094433 /nfs/dbraw/zinc/09/44/33/501094433.db2.gz BTGWUKYRMPARBL-JQVVWYNYSA-N 2 0 360.542 3.065 20 0 FGADRP CC[NH+]1CCN(c2ccc(C[NH2+]Cc3cc4c(cccc4F)[nH]3)cn2)CC1 ZINC000436269226 501098742 /nfs/dbraw/zinc/09/87/42/501098742.db2.gz KHUMHPDAWSWKAJ-UHFFFAOYSA-N 2 0 367.472 3.134 20 0 FGADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2CCCOc1cccc(Cl)c1 ZINC000441189364 501100721 /nfs/dbraw/zinc/10/07/21/501100721.db2.gz OAVHOXITDIURDO-QRQLOZEOSA-N 2 0 352.906 3.292 20 0 FGADRP Cc1ccc([C@@H]2CCC[C@@H]2[N@H+](C)CC(=O)NC2CC[NH+](C3CC3)CC2)cc1 ZINC000441352991 501125867 /nfs/dbraw/zinc/12/58/67/501125867.db2.gz LGZDPFCDMRXLBI-VXKWHMMOSA-N 2 0 369.553 3.306 20 0 FGADRP CC[NH+](CC)CCN(Cc1cccs1)C(=O)NCC1([NH+](C)C)CCC1 ZINC000446616461 501142334 /nfs/dbraw/zinc/14/23/34/501142334.db2.gz ZKENDDWGFWBUHK-UHFFFAOYSA-N 2 0 366.575 3.086 20 0 FGADRP C[C@H](CCNC(=O)c1sccc1C[NH+](C)C)[N@H+](C)Cc1ccccc1 ZINC000446888638 501177682 /nfs/dbraw/zinc/17/76/82/501177682.db2.gz KYVBEXXCHAKUKJ-MRXNPFEDSA-N 2 0 359.539 3.450 20 0 FGADRP CC[C@H]([NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1)c1cccc(F)c1 ZINC000446927492 501182108 /nfs/dbraw/zinc/18/21/08/501182108.db2.gz GYIKZZKTHBNMSR-IBGZPJMESA-N 2 0 363.521 3.493 20 0 FGADRP C[C@@H]1CCC[C@@]1(C)C(=O)N(C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000450119573 501185795 /nfs/dbraw/zinc/18/57/95/501185795.db2.gz POLZADZOMKAEGP-XMSQKQJNSA-N 2 0 363.590 3.467 20 0 FGADRP C[NH+](C)CC1CCC(NC(=O)c2ccc(Nc3cc[nH+]cc3)cc2)CC1 ZINC000442182128 501205641 /nfs/dbraw/zinc/20/56/41/501205641.db2.gz ORAWXBZZKRIDQC-UHFFFAOYSA-N 2 0 352.482 3.097 20 0 FGADRP CC(C)[C@@H](Cn1cccn1)[NH2+]Cc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000453064999 501261723 /nfs/dbraw/zinc/26/17/23/501261723.db2.gz HFWREZKTFHXKDC-WOIUINJBSA-N 2 0 370.541 3.307 20 0 FGADRP CC(C)[C@@H](Cn1cccn1)[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000453103547 501269563 /nfs/dbraw/zinc/26/95/63/501269563.db2.gz BDGCMUQLPRADMH-OAQYLSRUSA-N 2 0 356.514 3.172 20 0 FGADRP NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+][C@H](c2ccc(Cl)cc2)C2CCC2)C1 ZINC000453106648 501270224 /nfs/dbraw/zinc/27/02/24/501270224.db2.gz ZAQXGFCXXYBKMB-MJGOQNOKSA-N 2 0 363.933 3.358 20 0 FGADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N(C)[C@H]1CC[NH+](C(C)C)C1 ZINC000457646137 501276152 /nfs/dbraw/zinc/27/61/52/501276152.db2.gz JNDWFCOKFKMOCX-FQEVSTJZSA-N 2 0 360.546 3.151 20 0 FGADRP Cc1noc(CCC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)n1 ZINC000453156872 501281193 /nfs/dbraw/zinc/28/11/93/501281193.db2.gz HXOUHMFYFVGOEM-XUVXKRRUSA-N 2 0 354.498 3.343 20 0 FGADRP C[NH+](C)CCCOc1cnccc1C[NH2+]C1CCc2ccccc2CC1 ZINC000453213394 501292721 /nfs/dbraw/zinc/29/27/21/501292721.db2.gz DDLTYSBIHYGCFF-UHFFFAOYSA-N 2 0 353.510 3.449 20 0 FGADRP COC(=O)[C@H]1CC[C@@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)C1 ZINC000453218857 501293005 /nfs/dbraw/zinc/29/30/05/501293005.db2.gz NUUCYZQLIJQSQK-QGLKVJOYSA-N 2 0 356.510 3.361 20 0 FGADRP Cc1cnc(CC[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)cn1 ZINC000453407022 501325521 /nfs/dbraw/zinc/32/55/21/501325521.db2.gz RRAJHRNSROWPJL-CEMLEFRQSA-N 2 0 350.510 3.218 20 0 FGADRP O=C(NCc1ccc2c[nH+]cn2c1)[C@@]12CCC[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000457970347 501347257 /nfs/dbraw/zinc/34/72/57/501347257.db2.gz AJNKSDXUMQOHGR-NFBKMPQASA-N 2 0 374.488 3.253 20 0 FGADRP Cc1cc(NC(=O)c2ccccc2C[NH+](C)C)ccc1OCC[NH+](C)C ZINC000458225396 501398144 /nfs/dbraw/zinc/39/81/44/501398144.db2.gz YKHVIIPGCJMRNU-UHFFFAOYSA-N 2 0 355.482 3.249 20 0 FGADRP CN(C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000455871707 501403735 /nfs/dbraw/zinc/40/37/35/501403735.db2.gz YKHCEOQUMOXZPG-NHJHPMQKSA-N 2 0 356.514 3.324 20 0 FGADRP CC[C@@H](C)c1ccc(NC(=O)C[NH2+]C(C)(C)CN2CC[NH+](CC)CC2)cc1 ZINC000451987472 501414649 /nfs/dbraw/zinc/41/46/49/501414649.db2.gz ONNMDWQXKXABRR-GOSISDBHSA-N 2 0 374.573 3.144 20 0 FGADRP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)C1 ZINC000455923572 501416813 /nfs/dbraw/zinc/41/68/13/501416813.db2.gz MNSSGFCIBQCWHP-OXJNMPFZSA-N 2 0 358.530 3.335 20 0 FGADRP C[NH+](C)[C@H]1CCc2cc(NC(=O)N3CC[C@H](C[NH+]4CCCC4)C3)ccc21 ZINC000455934018 501419797 /nfs/dbraw/zinc/41/97/97/501419797.db2.gz RBNUXULJCGBJJZ-UZLBHIALSA-N 2 0 356.514 3.185 20 0 FGADRP C[C@@H](CCNC(=O)N1CC[N@@H+](C2CC2)C[C@H](C)C1)[NH+](C)Cc1ccccc1 ZINC000458511112 501462657 /nfs/dbraw/zinc/46/26/57/501462657.db2.gz POSJCZLIPHGLAD-OALUTQOASA-N 2 0 372.557 3.023 20 0 FGADRP C[C@@H](NC(=O)NCCCCC[NH+]1CCCC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000458638176 501495656 /nfs/dbraw/zinc/49/56/56/501495656.db2.gz SUVOQNITOBGVMO-MOPGFXCFSA-N 2 0 364.578 3.205 20 0 FGADRP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)N[C@@H](C)[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000458689417 501508559 /nfs/dbraw/zinc/50/85/59/501508559.db2.gz SSDAQFLKZRALHV-SESVDKBCSA-N 2 0 372.557 3.021 20 0 FGADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CC(C)(C)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000452845175 501572919 /nfs/dbraw/zinc/57/29/19/501572919.db2.gz LAZLRKBMDYPTMG-RTWAWAEBSA-N 2 0 369.553 3.230 20 0 FGADRP CN(C(=O)NCCCC[N@H+](C)C1CC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000459170927 501607924 /nfs/dbraw/zinc/60/79/24/501607924.db2.gz XQLPMSOLHNFSEN-UHFFFAOYSA-N 2 0 372.557 3.167 20 0 FGADRP C[N@@H+](Cc1ccccc1)CC1CC[NH+](Cc2cc(=O)[nH]c(C3CC3)n2)CC1 ZINC000459323521 501631033 /nfs/dbraw/zinc/63/10/33/501631033.db2.gz JOMKHANQELESRZ-UHFFFAOYSA-N 2 0 366.509 3.404 20 0 FGADRP Cc1nn(-c2ccc(F)cc2)cc1C[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000459375526 501641988 /nfs/dbraw/zinc/64/19/88/501641988.db2.gz NCOOIKFYTIWLMH-UHFFFAOYSA-N 2 0 365.456 3.473 20 0 FGADRP Fc1ccccc1N1CCC[C@@H]([NH2+]C2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000459446248 501655368 /nfs/dbraw/zinc/65/53/68/501655368.db2.gz DSRLOVOCGHTCMO-GOSISDBHSA-N 2 0 354.473 3.448 20 0 FGADRP C[NH+](C)CC(C)(C)NC(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000454987772 501667146 /nfs/dbraw/zinc/66/71/46/501667146.db2.gz LDHNFDPLNRAZBB-UHFFFAOYSA-N 2 0 362.518 3.013 20 0 FGADRP CC(C)(C)O[C@@H]1C[C@H]([NH2+]C2CCN(c3cc[nH+]cc3)CC2)[C@H]1n1cccn1 ZINC000459570856 501678505 /nfs/dbraw/zinc/67/85/05/501678505.db2.gz MWULFAQRDAKDMZ-XUVXKRRUSA-N 2 0 369.513 3.034 20 0 FGADRP C[C@@H]1C[C@H](NC(=O)NCCCCC[NH+]2CCCC2)C[N@@H+]1Cc1ccccc1 ZINC000455115698 501690529 /nfs/dbraw/zinc/69/05/29/501690529.db2.gz MPQYPGQSTNKQGR-CTNGQTDRSA-N 2 0 372.557 3.215 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N(C)[C@H]1CC[N@@H+](C(C)C)C1)c1ccccc1 ZINC000457464571 501703737 /nfs/dbraw/zinc/70/37/37/501703737.db2.gz VXCMBWSDHOMTQW-VQTJNVASSA-N 2 0 360.546 3.194 20 0 FGADRP COc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000459729700 501705132 /nfs/dbraw/zinc/70/51/32/501705132.db2.gz DKSWALJXUABSSG-HUUCEWRRSA-N 2 0 367.921 3.387 20 0 FGADRP COc1cc(Br)c(C[NH2+]CC[C@H]2CCC[N@H+](C)C2)cc1OC ZINC000459731189 501705663 /nfs/dbraw/zinc/70/56/63/501705663.db2.gz KUMIKCCNBGBWHZ-CYBMUJFWSA-N 2 0 371.319 3.288 20 0 FGADRP COc1ccc([C@H](CO)C[NH2+]C2CC[NH+]([C@H]3CCC[C@H](C)C3)CC2)cc1 ZINC000459765321 501711189 /nfs/dbraw/zinc/71/11/89/501711189.db2.gz XGMQOAVSZSOJDT-CUWPLCDZSA-N 2 0 360.542 3.404 20 0 FGADRP C[N@@H+]1CCC[C@@H](CC[NH2+]Cc2ccc(I)cc2)C1 ZINC000459800217 501715849 /nfs/dbraw/zinc/71/58/49/501715849.db2.gz ZHTKKMIGAUTDDK-AWEZNQCLSA-N 2 0 358.267 3.113 20 0 FGADRP CC[NH+](CC)Cc1ccc(CNC(=O)NC(C)(C)C[NH+]2CCCC2)cc1 ZINC000457526296 501716317 /nfs/dbraw/zinc/71/63/17/501716317.db2.gz MVXGFECSDTZOIN-UHFFFAOYSA-N 2 0 360.546 3.202 20 0 FGADRP CC[NH+](CC)Cc1ccc(CNC(=O)N2CC[C@@]3(C2)CCC[N@H+](C)C3)cc1 ZINC000457529641 501717114 /nfs/dbraw/zinc/71/71/14/501717114.db2.gz PUMTYOROGYSFEH-QFIPXVFZSA-N 2 0 372.557 3.156 20 0 FGADRP CCCN(C(=O)Cn1ccnc1C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000457542252 501719084 /nfs/dbraw/zinc/71/90/84/501719084.db2.gz UHNRRSKIZZDZGD-FQEVSTJZSA-N 2 0 354.498 3.095 20 0 FGADRP O=C(C[NH2+]C1(Cc2ccccc2)CCCCC1)NC1CC[NH+](C2CC2)CC1 ZINC000467183226 501729520 /nfs/dbraw/zinc/72/95/20/501729520.db2.gz WQTSUVVWEYTURR-UHFFFAOYSA-N 2 0 369.553 3.265 20 0 FGADRP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000470603051 501739563 /nfs/dbraw/zinc/73/95/63/501739563.db2.gz SAZSSKJTXLBWRD-IRXDYDNUSA-N 2 0 371.447 3.299 20 0 FGADRP C[C@@H](Cc1cccc(C(F)(F)F)c1)[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000467306488 501766219 /nfs/dbraw/zinc/76/62/19/501766219.db2.gz BRFXTWPWNJYROO-HNNXBMFYSA-N 2 0 357.464 3.252 20 0 FGADRP C[C@H](C[NH+]1CCCCC1)NC(=O)N(C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000470758152 501794426 /nfs/dbraw/zinc/79/44/26/501794426.db2.gz WDYVGTHCHNRCFX-CTNGQTDRSA-N 2 0 372.557 3.167 20 0 FGADRP C[N@@H+]1CCN(C(=O)C2CC[NH+](Cc3ccccc3)CC2)C2(CCCCC2)C1 ZINC000467463139 501801498 /nfs/dbraw/zinc/80/14/98/501801498.db2.gz HJUSRWPBZKVJJM-UHFFFAOYSA-N 2 0 369.553 3.376 20 0 FGADRP CC(C)[N@@H+](C)C[C@H](C)NC(=O)N[C@H]1[C@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000460359442 501803214 /nfs/dbraw/zinc/80/32/14/501803214.db2.gz FNSWPKPBHNMKJP-YOUFYPILSA-N 2 0 374.573 3.171 20 0 FGADRP C[NH+](C)[C@H](CNC(=O)C[N@@H+]1CCC[C@@H]1Cc1ccccc1)c1ccccc1 ZINC000460373376 501807684 /nfs/dbraw/zinc/80/76/84/501807684.db2.gz DUXVVOJYNNTIDW-FGZHOGPDSA-N 2 0 365.521 3.113 20 0 FGADRP COc1ccc(Cn2nc(C)c(C[NH2+]CC3(C)CC[NH+](C)CC3)c2C)cc1 ZINC000463745909 501809777 /nfs/dbraw/zinc/80/97/77/501809777.db2.gz DDEIBYZIJCSRFV-UHFFFAOYSA-N 2 0 370.541 3.378 20 0 FGADRP COC(=O)c1csc(-c2cccc(C[NH2+][C@@H]3CC[N@H+](C)C[C@H]3C)c2)n1 ZINC000477860059 501811726 /nfs/dbraw/zinc/81/17/26/501811726.db2.gz LYYFUCZJKPAHHX-CZUORRHYSA-N 2 0 359.495 3.027 20 0 FGADRP CC[NH+](CC)C[C@H]1CC[N@H+](CCC(=O)Nc2ccc(OC)c(Cl)c2)C1 ZINC000485422417 501816798 /nfs/dbraw/zinc/81/67/98/501816798.db2.gz JUUHUUDCFYSUFD-OAHLLOKOSA-N 2 0 367.921 3.341 20 0 FGADRP CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+]CC(C)(C)C[NH+]2CCCC2)cc1 ZINC000477932990 501833316 /nfs/dbraw/zinc/83/33/16/501833316.db2.gz QXUZDNVOKWWCPX-MRXNPFEDSA-N 2 0 367.559 3.221 20 0 FGADRP CC(C)[NH+]1CCC(O)(C[NH2+][C@@H](C)Cc2ccccc2C(F)(F)F)CC1 ZINC000481657257 501842035 /nfs/dbraw/zinc/84/20/35/501842035.db2.gz ZQAQQFQTEKWTNE-HNNXBMFYSA-N 2 0 358.448 3.461 20 0 FGADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000470896324 501845096 /nfs/dbraw/zinc/84/50/96/501845096.db2.gz FFYPNASJFNGVCI-VQTJNVASSA-N 2 0 364.578 3.014 20 0 FGADRP Cc1ccc(CCC[NH2+]CCCN2CC[NH+](Cc3ccccc3)CC2)cn1 ZINC000474465302 501845247 /nfs/dbraw/zinc/84/52/47/501845247.db2.gz BARQRKVCVPMUOS-UHFFFAOYSA-N 2 0 366.553 3.120 20 0 FGADRP Cc1ccc(CCC[NH2+]CCCN2CC[N@@H+](C)C[C@@H]2c2ccccc2)cn1 ZINC000474470441 501847618 /nfs/dbraw/zinc/84/76/18/501847618.db2.gz RVGUQKPMWDBDJF-HSZRJFAPSA-N 2 0 366.553 3.291 20 0 FGADRP CCCC[N@H+](C)C[C@H](C)NC(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000460950173 501967242 /nfs/dbraw/zinc/96/72/42/501967242.db2.gz PBFKSSHOQNRMLF-HDYDNRTBSA-N 2 0 366.594 3.449 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)[C@H]2CCN2Cc2ccccc2)C1 ZINC000468130978 501967532 /nfs/dbraw/zinc/96/75/32/501967532.db2.gz PQCUNCJBBCWTQS-WSTZPKSXSA-N 2 0 357.542 3.134 20 0 FGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCc2nc(CC)c(C)s2)[C@H](C)C1 ZINC000482087210 501970938 /nfs/dbraw/zinc/97/09/38/501970938.db2.gz GYKGOAWKNQBMRX-CRAIPNDOSA-N 2 0 353.576 3.283 20 0 FGADRP C[C@H]([NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1)c1cc(F)cc(F)c1 ZINC000482119747 501980900 /nfs/dbraw/zinc/98/09/00/501980900.db2.gz MPCNVUUUGRTXCO-INIZCTEOSA-N 2 0 360.452 3.223 20 0 FGADRP C[NH+](C)CCOc1ccc(NC(=O)CC[N@@H+]2CCc3ccccc3C2)cc1 ZINC000471401792 502013428 /nfs/dbraw/zinc/01/34/28/502013428.db2.gz SNKXZQBSPFWUCU-UHFFFAOYSA-N 2 0 367.493 3.014 20 0 FGADRP C[NH+](C)[C@H](CNC(=O)C[N@@H+]1CC[C@@H](c2ccc(F)cc2)C1)c1ccccc1 ZINC000475042686 502032352 /nfs/dbraw/zinc/03/23/52/502032352.db2.gz ZFEILFDJMKDZRL-TZIWHRDSSA-N 2 0 369.484 3.034 20 0 FGADRP C[NH+](C)CCOCC[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000471537908 502059034 /nfs/dbraw/zinc/05/90/34/502059034.db2.gz NLCGECHNBIRDHH-UHFFFAOYSA-N 2 0 364.493 3.207 20 0 FGADRP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N(C)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000475129611 502071335 /nfs/dbraw/zinc/07/13/35/502071335.db2.gz KHKDEOIMWJBTJH-SBHAEUEKSA-N 2 0 372.557 3.023 20 0 FGADRP C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000478738686 502072195 /nfs/dbraw/zinc/07/21/95/502072195.db2.gz KPSDKCLQFIMDHH-WIYYLYMNSA-N 2 0 370.541 3.051 20 0 FGADRP COc1ccc2oc([C@H](C)[NH2+][C@@H](C)CCN3CC[NH+](C)CC3)c(C)c2c1 ZINC000471582221 502073343 /nfs/dbraw/zinc/07/33/43/502073343.db2.gz UFOPLSFLOQIPJX-RDJZCZTQSA-N 2 0 359.514 3.426 20 0 FGADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1ccc(Br)c(F)c1 ZINC000471591926 502078532 /nfs/dbraw/zinc/07/85/32/502078532.db2.gz AZZFIZFACXKEES-KGLIPLIRSA-N 2 0 372.326 3.265 20 0 FGADRP CC[NH+](CC)Cc1cccc(CNC(=O)N2CC[C@H]([NH+]3CCCC3)[C@@H]2C)c1 ZINC000478769872 502081310 /nfs/dbraw/zinc/08/13/10/502081310.db2.gz MUQPCFJQBJBIQA-RXVVDRJESA-N 2 0 372.557 3.297 20 0 FGADRP CCN(C(=O)NCC[NH+](C)C1CCCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475155552 502084031 /nfs/dbraw/zinc/08/40/31/502084031.db2.gz KVHFZMGCRUPFGU-OAQYLSRUSA-N 2 0 372.557 3.167 20 0 FGADRP C[C@H]([NH2+]CC1CC[NH+](C)CC1)c1ccccc1I ZINC000482555769 502110032 /nfs/dbraw/zinc/11/00/32/502110032.db2.gz NVAFVJOSIVLYMC-LBPRGKRZSA-N 2 0 358.267 3.284 20 0 FGADRP CCC[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1ccc(Cl)cc1 ZINC000482556306 502110249 /nfs/dbraw/zinc/11/02/49/502110249.db2.gz JMSMHCJBYNDNFG-SJLPKXTDSA-N 2 0 351.922 3.358 20 0 FGADRP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC000464947086 502152730 /nfs/dbraw/zinc/15/27/30/502152730.db2.gz DJTJYWHTEFBPER-OALUTQOASA-N 2 0 366.594 3.164 20 0 FGADRP C[C@H]([NH2+][C@H]1CCCc2nn(C)cc21)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000479072170 502155040 /nfs/dbraw/zinc/15/50/40/502155040.db2.gz SRMUJYYFHLRJKT-KXBFYZLASA-N 2 0 371.504 3.039 20 0 FGADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]CC1(N2CCOC(C)(C)C2)CCCCC1 ZINC000482725269 502162358 /nfs/dbraw/zinc/16/23/58/502162358.db2.gz VGLYHMYRHLMZEU-CEXWTWQISA-N 2 0 351.579 3.118 20 0 FGADRP C[N@H+](CCNC(=O)[C@H]1CCCC[NH+]1Cc1ccccc1)C1CCCCC1 ZINC000468747857 502170033 /nfs/dbraw/zinc/17/00/33/502170033.db2.gz MRFRKCBYCZVZBW-OAQYLSRUSA-N 2 0 357.542 3.422 20 0 FGADRP COc1cccc([C@@H](C)N2CCN(C(=O)[C@H](C)[NH+]3CCCCCC3)CC2)c1 ZINC000468776263 502178858 /nfs/dbraw/zinc/17/88/58/502178858.db2.gz AYFCVPKNKNLACW-MOPGFXCFSA-N 2 0 373.541 3.165 20 0 FGADRP Cc1nc(-c2ccccc2)oc1C[N@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000602785421 506298450 /nfs/dbraw/zinc/29/84/50/506298450.db2.gz PIKLJUVZECPQRT-HXUWFJFHSA-N 2 0 368.525 3.250 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccc(C)c(Cl)c1 ZINC000486580829 502197279 /nfs/dbraw/zinc/19/72/79/502197279.db2.gz PXCUOXZWFWTIFH-KRWDZBQOSA-N 2 0 351.922 3.137 20 0 FGADRP CC[NH+](CC)[C@H](C)CNC(=O)NC1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000472040019 502207628 /nfs/dbraw/zinc/20/76/28/502207628.db2.gz YCWCSMJSGXYBCZ-GBESFXJTSA-N 2 0 374.573 3.173 20 0 FGADRP CCC[NH+]1CCC(CNC(=O)NC(C)(C)CC[NH+]2CCCCCC2)CC1 ZINC000482938957 502222308 /nfs/dbraw/zinc/22/23/08/502222308.db2.gz WSSYIMZHXTXKKD-UHFFFAOYSA-N 2 0 366.594 3.452 20 0 FGADRP COCC[N@H+](C)CCC[NH2+][C@@H]1CCCc2cc(Br)ccc21 ZINC000479357042 502233936 /nfs/dbraw/zinc/23/39/36/502233936.db2.gz JFHAXTWQOJZFAX-QGZVFWFLSA-N 2 0 355.320 3.384 20 0 FGADRP O[C@H]1CC[N@H+](Cc2ccccc2C[NH2+]Cc2cc3ccc(F)cc3[nH]2)C1 ZINC000486718623 502242742 /nfs/dbraw/zinc/24/27/42/502242742.db2.gz DPGMBVXIDBMNBM-FQEVSTJZSA-N 2 0 353.441 3.163 20 0 FGADRP CCC[N@@H+]1CCC[C@H]1CNC(=O)NC[C@H](c1ccsc1)[NH+](CC)CC ZINC000479389369 502244094 /nfs/dbraw/zinc/24/40/94/502244094.db2.gz PDGNEVABEZTCAP-ZWKOTPCHSA-N 2 0 366.575 3.305 20 0 FGADRP C[C@@H](C[NH2+][C@@H](C)CCCCN1C(=O)c2ccccc2C1=O)C[NH+]1CCCC1 ZINC000472143879 502246987 /nfs/dbraw/zinc/24/69/87/502246987.db2.gz IZZOOBUJCKMWKY-ROUUACIJSA-N 2 0 371.525 3.163 20 0 FGADRP CC[N@@H+]1CC[C@H]([NH2+]CC2(c3cc(C)ccc3OC)CCOCC2)[C@@H](C)C1 ZINC000469020338 502266257 /nfs/dbraw/zinc/26/62/57/502266257.db2.gz MTJLJLRNAQLIEX-ICSRJNTNSA-N 2 0 360.542 3.372 20 0 FGADRP CC(C)[NH+](CCNC(=O)N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1)C(C)C ZINC000465449897 502266384 /nfs/dbraw/zinc/26/63/84/502266384.db2.gz WBLCRVSRVGJYFT-FQEVSTJZSA-N 2 0 374.573 3.411 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CNC(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000465557174 502307206 /nfs/dbraw/zinc/30/72/06/502307206.db2.gz DUYSENJQQISHJJ-NRFANRHFSA-N 2 0 372.557 3.202 20 0 FGADRP COC1CC[NH+](C(C)(C)CNC2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC000462108886 502309247 /nfs/dbraw/zinc/30/92/47/502309247.db2.gz CFNHWSQTFUUTDP-UHFFFAOYSA-N 2 0 373.585 3.173 20 0 FGADRP CCC[NH+]1CCC([NH2+]C[C@H](CO)Cc2ccccc2OC(F)(F)F)CC1 ZINC000462117326 502312542 /nfs/dbraw/zinc/31/25/42/502312542.db2.gz KXWXLWFVFXOPBT-OAHLLOKOSA-N 2 0 374.447 3.200 20 0 FGADRP CC1CC[NH+](Cc2ccccc2CNC(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000465575862 502312637 /nfs/dbraw/zinc/31/26/37/502312637.db2.gz QXRRYPNKXUZCFB-GHTZIAJQSA-N 2 0 372.557 3.200 20 0 FGADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)NCc2ccc(C[NH+](CC)CC)cc2)C1 ZINC000465595028 502319518 /nfs/dbraw/zinc/31/95/18/502319518.db2.gz JBBZODABKYJWFX-NRFANRHFSA-N 2 0 374.573 3.402 20 0 FGADRP NC(=O)c1csc(C[N@@H+]2CCCC[C@@H]2[C@H](C[NH3+])Cc2ccccc2)c1 ZINC000472353930 502326715 /nfs/dbraw/zinc/32/67/15/502326715.db2.gz HEVYFDSPLMYFME-QFBILLFUSA-N 2 0 357.523 3.019 20 0 FGADRP O=C(C[N@H+](CC1CC1)CC1CCC1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000483260570 502331902 /nfs/dbraw/zinc/33/19/02/502331902.db2.gz IRVFARLQJPMRDM-UHFFFAOYSA-N 2 0 369.553 3.411 20 0 FGADRP Cc1ccc(C[N@@H+]2CCCN(C(=O)C[NH+](CC3CC3)C3CCC3)CC2)cc1 ZINC000483301161 502343799 /nfs/dbraw/zinc/34/37/99/502343799.db2.gz FOEGCPVOHHNUTE-UHFFFAOYSA-N 2 0 369.553 3.294 20 0 FGADRP Cn1nc(CCC[N@H+](C)CCC2CC[NH2+]CC2)cc1-c1ccc(F)cc1 ZINC000479689910 502345370 /nfs/dbraw/zinc/34/53/70/502345370.db2.gz RSBVLOQLEIYCKH-UHFFFAOYSA-N 2 0 358.505 3.480 20 0 FGADRP c1sc(-c2ccccc2)nc1CN1CC[NH+](CCC2CC[NH2+]CC2)CC1 ZINC000479694108 502347408 /nfs/dbraw/zinc/34/74/08/502347408.db2.gz ZSGRCTZQONCPEG-UHFFFAOYSA-N 2 0 370.566 3.317 20 0 FGADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H](C)c1cccc(NS(C)(=O)=O)c1 ZINC000479741383 502362398 /nfs/dbraw/zinc/36/23/98/502362398.db2.gz KMCBXSSJZWSTOA-HOTGVXAUSA-N 2 0 355.548 3.219 20 0 FGADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000476029007 502362537 /nfs/dbraw/zinc/36/25/37/502362537.db2.gz DBENCXZGQRMDCF-INIZCTEOSA-N 2 0 355.592 3.021 20 0 FGADRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N[C@H]2CC[NH+](CC3CCCC3)C2)C1 ZINC000465753532 502371028 /nfs/dbraw/zinc/37/10/28/502371028.db2.gz KFHBBOBQINFQKU-MJGOQNOKSA-N 2 0 364.578 3.061 20 0 FGADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)N(C)CC[C@@H]1CCCC[NH+]1C ZINC000465864217 502406964 /nfs/dbraw/zinc/40/69/64/502406964.db2.gz CMAROHBQTMJSTI-RBUKOAKNSA-N 2 0 352.567 3.157 20 0 FGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]C[C@H]2CCSC2)CC1 ZINC000487297121 502411881 /nfs/dbraw/zinc/41/18/81/502411881.db2.gz HMUZSWFLNZDBGM-JKSUJKDBSA-N 2 0 351.535 3.371 20 0 FGADRP CCC[N@H+](CC)Cc1ccc(C(=O)N2CC[C@@H]3[C@H](CCC[NH+]3C)C2)cc1 ZINC000483566134 502433260 /nfs/dbraw/zinc/43/32/60/502433260.db2.gz VZVKQPINYFHAIW-NHCUHLMSSA-N 2 0 357.542 3.475 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@H](C)Oc2ccc(F)cc2)[C@@H](C)C1 ZINC000483628926 502447735 /nfs/dbraw/zinc/44/77/35/502447735.db2.gz RYINXQQEIJFZGO-QKLQHJQFSA-N 2 0 352.494 3.320 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H](C)c1cccc(C)c1C ZINC000466019041 502456148 /nfs/dbraw/zinc/45/61/48/502456148.db2.gz GONPCYCOVHWVDU-WOJBJXKFSA-N 2 0 374.573 3.422 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@H]2CCC[NH+](Cc3ccccc3)C2)C[C@@H]1C ZINC000483676223 502459855 /nfs/dbraw/zinc/45/98/55/502459855.db2.gz BNLVNUFJYKSDDG-JBACZVJFSA-N 2 0 372.557 3.165 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)N(C)[C@H]1CC[N@H+](CC)[C@H](C)C1)c1ccco1 ZINC000483778092 502489944 /nfs/dbraw/zinc/48/99/44/502489944.db2.gz UMIUKRFJIUVALU-SQNIBIBYSA-N 2 0 364.534 3.177 20 0 FGADRP COC(=O)[C@H](c1ccccc1C)[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000466233974 502512458 /nfs/dbraw/zinc/51/24/58/502512458.db2.gz YGNUWHHBHXPEDP-NRFANRHFSA-N 2 0 367.493 3.453 20 0 FGADRP C[C@@H]1CN(C(C)(C)C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)C[C@H](C)O1 ZINC000480261370 502516476 /nfs/dbraw/zinc/51/64/76/502516476.db2.gz IYLWSXDNWFITBK-XWSHUIEDSA-N 2 0 373.585 3.374 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@H](c2ccsc2)N(C)C)[C@@H](C)C1 ZINC000480280327 502523446 /nfs/dbraw/zinc/52/34/46/502523446.db2.gz UBHVIOWLIBQQKB-WDSOQIARSA-N 2 0 353.576 3.077 20 0 FGADRP O=C([C@@H](c1ccccc1)[N@@H+]1CC[C@H](Oc2ccncc2)C1)N1CCCCC1 ZINC000469744170 502529362 /nfs/dbraw/zinc/52/93/62/502529362.db2.gz YVHHNOOYNLOPAT-LEWJYISDSA-N 2 0 365.477 3.289 20 0 FGADRP CC[NH+](CC)CCN(CC(C)C)C(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000466300045 502531157 /nfs/dbraw/zinc/53/11/57/502531157.db2.gz VOJYYKZYQJCUOB-FQEVSTJZSA-N 2 0 366.594 3.260 20 0 FGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCc2cnn(-c3ccccc3)c2)[C@@H](C)C1 ZINC000480330519 502540266 /nfs/dbraw/zinc/54/02/66/502540266.db2.gz RKCCSVBHQQGBOR-SIKLNZKXSA-N 2 0 370.541 3.141 20 0 FGADRP O=C(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH+]1C1CCCC1 ZINC000473290379 502559871 /nfs/dbraw/zinc/55/98/71/502559871.db2.gz GQIGZFYWVLDYKK-CTNGQTDRSA-N 2 0 355.526 3.032 20 0 FGADRP CC[N@H+](CCC1CC[NH+](CCC(=O)Nc2cccnc2)CC1)CC(C)C ZINC000484077395 502564269 /nfs/dbraw/zinc/56/42/69/502564269.db2.gz LZPZTXAVNDCGMN-UHFFFAOYSA-N 2 0 360.546 3.490 20 0 FGADRP Cc1nn(-c2ccc(Br)cc2)cc1C[N@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000469861925 502572326 /nfs/dbraw/zinc/57/23/26/502572326.db2.gz LTBJHQGPEPYVPH-GXTWGEPZSA-N 2 0 363.303 3.112 20 0 FGADRP CCC[C@H](C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1)c1ccccc1 ZINC000469870495 502577080 /nfs/dbraw/zinc/57/70/80/502577080.db2.gz JJAFNXJPMMVUNV-HMXCVIKNSA-N 2 0 357.542 3.151 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC000462812471 502583946 /nfs/dbraw/zinc/58/39/46/502583946.db2.gz NYQZWCGAEGIASI-UIFIKXQLSA-N 2 0 355.526 3.030 20 0 FGADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000473501991 502613009 /nfs/dbraw/zinc/61/30/09/502613009.db2.gz BTNXQDOCTAWHFD-VIZSFHNOSA-N 2 0 369.553 3.374 20 0 FGADRP COc1ccc(F)cc1C[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000462904194 502620180 /nfs/dbraw/zinc/62/01/80/502620180.db2.gz DZBXBAMUAUAGBR-FQEVSTJZSA-N 2 0 358.457 3.081 20 0 FGADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H](C)c2oc3ccc(OC)cc3c2C)CC1 ZINC000480618690 502622587 /nfs/dbraw/zinc/62/25/87/502622587.db2.gz PIANIYFNMAEBNG-NVXWUHKLSA-N 2 0 359.514 3.426 20 0 FGADRP CC(C)[C@@H](C(=O)NC[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1)[NH+](C)C ZINC000476978932 502639942 /nfs/dbraw/zinc/63/99/42/502639942.db2.gz HIJTWXBPTMBIEE-JLSDUUJJSA-N 2 0 369.912 3.174 20 0 FGADRP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H](C)c3cccc(OC)c3)cn2)CC1 ZINC000480703476 502648412 /nfs/dbraw/zinc/64/84/12/502648412.db2.gz YTYBLXBJLAKMMP-KRWDZBQOSA-N 2 0 354.498 3.083 20 0 FGADRP CC(C[NH+]1CCC[C@]2(CCCOC2)C1)C[N@@H+]1CCC[C@]2(CCCOC2)C1 ZINC000477053143 502663326 /nfs/dbraw/zinc/66/33/26/502663326.db2.gz ZDCNRYFIRDQVPL-VXKWHMMOSA-N 2 0 364.574 3.408 20 0 FGADRP C[N@H+](CCCNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1)Cc1ccccc1 ZINC000480805314 502676630 /nfs/dbraw/zinc/67/66/30/502676630.db2.gz XVFQUDDTBZMXHC-HXUWFJFHSA-N 2 0 357.542 3.279 20 0 FGADRP CC[N@@H+]1CC[C@@H]([NH2+]CC2(N3CCOC(C)(C)C3)CCCCC2)[C@H](C)C1 ZINC000470161757 502687526 /nfs/dbraw/zinc/68/75/26/502687526.db2.gz XEHQAZGQSRUWJN-RTBURBONSA-N 2 0 351.579 3.120 20 0 FGADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000477216178 502709275 /nfs/dbraw/zinc/70/92/75/502709275.db2.gz CFGZJGYJOHDSJG-UXHICEINSA-N 2 0 364.578 3.014 20 0 FGADRP C[NH+]1CCN(Cc2ccc(C[NH2+][C@@H]3CS[C@@H](C(C)(C)C)C3)cc2)CC1 ZINC000488420493 502710880 /nfs/dbraw/zinc/71/08/80/502710880.db2.gz WIJNITZAIGQTRB-VQTJNVASSA-N 2 0 361.599 3.444 20 0 FGADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)N2CC[C@H]([NH+]3CCCC3)[C@H]2C)C1 ZINC000484719709 502719553 /nfs/dbraw/zinc/71/95/53/502719553.db2.gz OVRKZYOSAZUZNH-QCFAMHMHSA-N 2 0 370.541 3.090 20 0 FGADRP CC[NH+](CC)CCN(Cc1ccccc1)C(=O)N[C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000466922234 502728006 /nfs/dbraw/zinc/72/80/06/502728006.db2.gz VTROXXRYGZDGEI-NQIIRXRSSA-N 2 0 372.557 3.023 20 0 FGADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)N1CCC[NH+](CC2CCCCC2)CC1 ZINC000477320190 502741296 /nfs/dbraw/zinc/74/12/96/502741296.db2.gz QOFYWEHHUOTGTR-FQEVSTJZSA-N 2 0 364.578 3.158 20 0 FGADRP C[C@H](CCNC(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C)[NH+]1CCCCC1 ZINC000463269735 502741513 /nfs/dbraw/zinc/74/15/13/502741513.db2.gz CANNWFPIQWLHNY-SBHAEUEKSA-N 2 0 372.557 3.071 20 0 FGADRP O=C(NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)c1ccc2c(c1)C[NH2+]C2 ZINC000470372831 502754283 /nfs/dbraw/zinc/75/42/83/502754283.db2.gz GDXVXJYPNRGKFC-UHFFFAOYSA-N 2 0 369.896 3.338 20 0 FGADRP C[C@@H](C(=O)Nc1ccc2ccn(CC[NH+](C)C)c2c1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000463336135 502762177 /nfs/dbraw/zinc/76/21/77/502762177.db2.gz QAJYBNSRVAWARA-BBWFWOEESA-N 2 0 356.514 3.403 20 0 FGADRP C[C@@H]1CC[C@H]([NH2+]CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)[C@H](C)C1 ZINC000481175832 502773620 /nfs/dbraw/zinc/77/36/20/502773620.db2.gz NBXHIPLQFKBCGT-OPYAIIAOSA-N 2 0 357.542 3.313 20 0 FGADRP CC[N@@H+]1CC[C@H]([NH+](C)CCC(=O)N[C@H]2CCCc3ccccc32)C[C@H]1C ZINC000484918747 502775925 /nfs/dbraw/zinc/77/59/25/502775925.db2.gz IRBYNWXBBAXHOU-LMNJBCLMSA-N 2 0 357.542 3.375 20 0 FGADRP COc1ccc([C@H](CNC(=O)C[N@@H+]2CC[C@@H](C)[C@@H]2C)[NH+]2CCCCC2)cc1 ZINC000484933318 502781137 /nfs/dbraw/zinc/78/11/37/502781137.db2.gz GXPXJVXNWOLTKC-LQWHRVPQSA-N 2 0 373.541 3.069 20 0 FGADRP CC(C)[NH+](CCCNC(=O)NC[C@@]1([NH+](C)C)CCC[C@H](C)C1)C(C)C ZINC000470491359 502794140 /nfs/dbraw/zinc/79/41/40/502794140.db2.gz ZWQLFMKWKBWZJQ-AZUAARDMSA-N 2 0 354.583 3.305 20 0 FGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@H]2CC(C)(C)c3cc(OC)ccc32)CC1 ZINC000474068589 502796692 /nfs/dbraw/zinc/79/66/92/502796692.db2.gz VIXPTELENBGSFO-UWJYYQICSA-N 2 0 359.558 3.281 20 0 FGADRP C[N@H+](C[C@@H](O)COc1ccc(C(C)(C)C)cc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000513133157 502859940 /nfs/dbraw/zinc/85/99/40/502859940.db2.gz CXVMATVAOBMEIW-JIRNRHONSA-N 2 0 360.542 3.281 20 0 FGADRP CCCCO[C@H]1C[C@@H]([N@H+](C)CCCN2CC[NH+](C(C)C)CC2)C1(C)C ZINC000500985376 502905674 /nfs/dbraw/zinc/90/56/74/502905674.db2.gz RUJJJXWAEVAZCQ-UXHICEINSA-N 2 0 353.595 3.318 20 0 FGADRP CCOC(=O)c1ccc(C[N@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)o1 ZINC000501036843 502917778 /nfs/dbraw/zinc/91/77/78/502917778.db2.gz DXYWWVXHBFLWEO-UHFFFAOYSA-N 2 0 357.454 3.200 20 0 FGADRP CC[C@H](C)[NH2+][C@@H](CNC(=O)N(C)CC[C@H]1CCCC[N@@H+]1C)c1ccco1 ZINC000509568549 502937190 /nfs/dbraw/zinc/93/71/90/502937190.db2.gz MBHYJCNFFOQUQN-KSZLIROESA-N 2 0 364.534 3.225 20 0 FGADRP CC(C)[NH+]1CCN(CCC[NH+]2CCC(Cc3ccc(F)cc3)CC2)CC1 ZINC000501102677 502939405 /nfs/dbraw/zinc/93/94/05/502939405.db2.gz FBNCYYFHDKWTMZ-UHFFFAOYSA-N 2 0 361.549 3.496 20 0 FGADRP CC[C@H](C)[NH2+][C@H](CNC(=O)N(C)[C@@H]1CC[N@H+](CC)C[C@@H]1C)c1ccco1 ZINC000509591698 502943795 /nfs/dbraw/zinc/94/37/95/502943795.db2.gz RABBCQQMMROROT-WNRNVDISSA-N 2 0 364.534 3.081 20 0 FGADRP COC(=O)c1cc(C[NH2+]CC[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)c[nH]1 ZINC000513508352 502955088 /nfs/dbraw/zinc/95/50/88/502955088.db2.gz YAJLGJFDCUNKEV-FUHWJXTLSA-N 2 0 355.482 3.192 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)N[C@H](C)C[NH+]1CCCCC1)Cc1ccccc1 ZINC000501195911 502957317 /nfs/dbraw/zinc/95/73/17/502957317.db2.gz DGTIGNFPCJFHKH-TZIWHRDSSA-N 2 0 374.573 3.113 20 0 FGADRP Cc1ccc([C@H](CNC(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)[NH+]2CCCC2)cc1 ZINC000489435622 502957782 /nfs/dbraw/zinc/95/77/82/502957782.db2.gz XDWAGBLONZVDTN-ACRUOGEOSA-N 2 0 372.557 3.304 20 0 FGADRP CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)Nc1cccc2ccsc21 ZINC000501251313 502967250 /nfs/dbraw/zinc/96/72/50/502967250.db2.gz CEPFQSLOEDPOEI-UHFFFAOYSA-N 2 0 360.527 3.391 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@@H](C)Sc1ccccc1 ZINC000505760524 502980240 /nfs/dbraw/zinc/98/02/40/502980240.db2.gz TWRNUXRYQSCCPF-MSOLQXFVSA-N 2 0 363.571 3.042 20 0 FGADRP C/C(=C\c1ccccc1C(F)(F)F)C[NH2+]CC1CC[NH+](CCO)CC1 ZINC000501425143 503008371 /nfs/dbraw/zinc/00/83/71/503008371.db2.gz OCPZUMXIHLSOID-NTCAYCPXSA-N 2 0 356.432 3.403 20 0 FGADRP C[NH+](C)CCOc1cccc(NC(=O)N2CCC([NH+]3CCCCC3)CC2)c1 ZINC000509935566 503014642 /nfs/dbraw/zinc/01/46/42/503014642.db2.gz VRCQXNDZYPEDSZ-UHFFFAOYSA-N 2 0 374.529 3.109 20 0 FGADRP C[C@@H](CNC(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000501499207 503021346 /nfs/dbraw/zinc/02/13/46/503021346.db2.gz DPWKICAZDWOESR-DYXWJJEUSA-N 2 0 372.557 3.243 20 0 FGADRP CC(C)(C[NH2+][C@@H]1CCCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)OCCO ZINC000489795874 503037574 /nfs/dbraw/zinc/03/75/74/503037574.db2.gz KTWZETFQISVKTI-PWRODBHTSA-N 2 0 360.542 3.054 20 0 FGADRP CC[C@H](C)[NH2+][C@@H](CNC(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1)c1ccco1 ZINC000497835315 503050241 /nfs/dbraw/zinc/05/02/41/503050241.db2.gz GCJHNIWJWBSBBE-BQFCYCMXSA-N 2 0 362.518 3.025 20 0 FGADRP CCC[C@@H]([NH2+]C(C)C)C(=O)N(CC[NH+](C)C)Cc1ccc(F)c(F)c1 ZINC000501737543 503069353 /nfs/dbraw/zinc/06/93/53/503069353.db2.gz XIIOKZWIWFNXGL-GOSISDBHSA-N 2 0 355.473 3.022 20 0 FGADRP Cc1ccc([C@@H](CNC(=O)NCCCC[NH+]2CCC(C)CC2)[NH+](C)C)cc1 ZINC000514093012 503085839 /nfs/dbraw/zinc/08/58/39/503085839.db2.gz DDBBBGGTGGDOMZ-OAQYLSRUSA-N 2 0 374.573 3.409 20 0 FGADRP C[C@H](CNC(=O)c1oc2ccccc2c1C[NH+](C)C)[N@@H+]1CCCC[C@@H]1C ZINC000510313090 503090170 /nfs/dbraw/zinc/09/01/70/503090170.db2.gz MQEJONUNXYKZGD-JKSUJKDBSA-N 2 0 357.498 3.487 20 0 FGADRP CC[NH+](CC)Cc1ccccc1CNC(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000501840476 503091142 /nfs/dbraw/zinc/09/11/42/503091142.db2.gz DCQCSTUSBWTAPA-SFHVURJKSA-N 2 0 360.546 3.202 20 0 FGADRP COc1cccc([C@H](CNC(=O)[C@H](C)[NH+]2CCCCCC2)[NH+]2CCCC2)c1 ZINC000510328568 503092568 /nfs/dbraw/zinc/09/25/68/503092568.db2.gz CKHCCGMSQQQKTQ-RXVVDRJESA-N 2 0 373.541 3.213 20 0 FGADRP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NCCCC[NH+]1CCCC[C@H]1C ZINC000514126583 503094607 /nfs/dbraw/zinc/09/46/07/503094607.db2.gz JVBWSLNJGKQUGJ-GUDVDZBRSA-N 2 0 352.567 3.061 20 0 FGADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)N2CCCC23CC[NH+](C)CC3)C1 ZINC000510344557 503095951 /nfs/dbraw/zinc/09/59/51/503095951.db2.gz COARARJJRFQMCC-UYAOXDASSA-N 2 0 370.541 3.092 20 0 FGADRP Cc1ccc(-n2ccnc2)c(C(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)c1 ZINC000510380217 503102797 /nfs/dbraw/zinc/10/27/97/503102797.db2.gz VBDCSPRKQGBQBU-FQEVSTJZSA-N 2 0 366.440 3.353 20 0 FGADRP CCC[NH+]1CCC(NC(=O)N[C@@H](C)[C@H](c2ccccc2C)[NH+](C)C)CC1 ZINC000498106048 503107233 /nfs/dbraw/zinc/10/72/33/503107233.db2.gz FEDYYRNGGRDAER-FXAWDEMLSA-N 2 0 360.546 3.160 20 0 FGADRP CCC[NH+]1CCC(CNC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)CC1 ZINC000490171630 503122039 /nfs/dbraw/zinc/12/20/39/503122039.db2.gz GHZIECOLGFPUAH-RXVVDRJESA-N 2 0 372.557 3.071 20 0 FGADRP C[C@@H](NC(=O)NCC[N@H+](C)C1CCCCC1)[C@H](c1ccccc1)[NH+](C)C ZINC000490172700 503122303 /nfs/dbraw/zinc/12/23/03/503122303.db2.gz QCCZVTSGDRTULG-YLJYHZDGSA-N 2 0 360.546 3.242 20 0 FGADRP C[C@]1(C(=O)N2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)CCCC[NH2+]1 ZINC000510479664 503123404 /nfs/dbraw/zinc/12/34/04/503123404.db2.gz JNMNDFKYEZTFQP-YADHBBJMSA-N 2 0 355.526 3.033 20 0 FGADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)NC[C@H](C)[NH+]2CCCC[C@@H]2C)C1 ZINC000514244795 503124301 /nfs/dbraw/zinc/12/43/01/503124301.db2.gz NFSGQVGFMDEFQL-HUUJSLGLSA-N 2 0 372.557 3.384 20 0 FGADRP C[N@H+](CCNC(=O)c1ccccc1CC1CC[NH2+]CC1)C1CCCCC1 ZINC000514605803 503147676 /nfs/dbraw/zinc/14/76/76/503147676.db2.gz QIOWZSLLVXQDIV-UHFFFAOYSA-N 2 0 357.542 3.223 20 0 FGADRP C[C@H](NC(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1)[C@@H](c1ccccc1)[NH+](C)C ZINC000498270603 503147941 /nfs/dbraw/zinc/14/79/41/503147941.db2.gz AQSOZFNSULSHOR-YYWHXJBOSA-N 2 0 372.557 3.242 20 0 FGADRP CC(C)[C@@H]1CCC[C@@H](NC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)C1 ZINC000510580102 503148279 /nfs/dbraw/zinc/14/82/79/503148279.db2.gz QVCVVUWBUYSWAN-RTBURBONSA-N 2 0 354.583 3.116 20 0 FGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H](C)CCc2c(F)cccc2F)CC1 ZINC000510721875 503178473 /nfs/dbraw/zinc/17/84/73/503178473.db2.gz OHPOMPJJJFJEDL-IAGOWNOFSA-N 2 0 353.501 3.149 20 0 FGADRP O=C(NCC[NH+]1CCCC1)c1ccc(C[NH2+][C@@H]2CC[C@@H]2C2CCC2)cc1 ZINC000510735376 503182258 /nfs/dbraw/zinc/18/22/58/503182258.db2.gz OEHMAPHPMDFNRA-NHCUHLMSSA-N 2 0 355.526 3.181 20 0 FGADRP CC[NH+]1CCN(Cc2ccccc2C[NH2+][C@@H]2CCC[C@H]2CCOC)CC1 ZINC000502706711 503255192 /nfs/dbraw/zinc/25/51/92/503255192.db2.gz IJTZBBUPOXBXFU-SIKLNZKXSA-N 2 0 359.558 3.119 20 0 FGADRP CC[NH+]1CCN(Cc2ccccc2C[NH2+][C@H]2CCC[C@H]2CCOC)CC1 ZINC000502706713 503255237 /nfs/dbraw/zinc/25/52/37/503255237.db2.gz IJTZBBUPOXBXFU-UGKGYDQZSA-N 2 0 359.558 3.119 20 0 FGADRP CC(C)[N@H+](C)CCNC(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCCC1 ZINC000502781477 503270773 /nfs/dbraw/zinc/27/07/73/503270773.db2.gz MUDLDNVMUZCGOT-SFHVURJKSA-N 2 0 360.546 3.289 20 0 FGADRP CCCC[N@H+](C)CCNC(=O)N1CCC[NH+](CCCc2ccccc2)CC1 ZINC000491080683 503270995 /nfs/dbraw/zinc/27/09/95/503270995.db2.gz WGSALYCLCFKVEK-UHFFFAOYSA-N 2 0 374.573 3.068 20 0 FGADRP FC(F)(F)c1cccc(CCCC[NH+]2CCN([C@H]3CC[NH2+]C3)CC2)c1 ZINC000491131318 503277073 /nfs/dbraw/zinc/27/70/73/503277073.db2.gz CRCNGMCZXXCURX-SFHVURJKSA-N 2 0 355.448 3.008 20 0 FGADRP CC[NH+](CC)CC1CCN(C(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000502847564 503288074 /nfs/dbraw/zinc/28/80/74/503288074.db2.gz SEGJDVVNAHIMKO-IBGZPJMESA-N 2 0 366.594 3.404 20 0 FGADRP CC[N@@H+]1CCC[C@H](CNC(=O)N[C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000507405872 503294894 /nfs/dbraw/zinc/29/48/94/503294894.db2.gz LVBYZIITWBZXQH-TYPHKJRUSA-N 2 0 372.557 3.071 20 0 FGADRP C[NH+](C)[C@@H](CNC(=O)CC[C@@H]1CCCC[N@@H+]1C)c1ccc(Cl)cc1 ZINC000515419609 503334562 /nfs/dbraw/zinc/33/45/62/503334562.db2.gz DARYQUZEGNUVJM-ROUUACIJSA-N 2 0 351.922 3.323 20 0 FGADRP CCCN(CC[NH+]1CCCCC1)C(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000503081116 503342263 /nfs/dbraw/zinc/34/22/63/503342263.db2.gz HIQRJCJXFVUYCT-UHFFFAOYSA-N 2 0 352.567 3.016 20 0 FGADRP O[C@H](C[NH2+]CC1CC[NH+](C2CC2)CC1)Cc1ccccc1C(F)(F)F ZINC000515468003 503344787 /nfs/dbraw/zinc/34/47/87/503344787.db2.gz ZUHHIVNTQOGNDR-KRWDZBQOSA-N 2 0 356.432 3.073 20 0 FGADRP O=C(NCC1([NH+]2CCCCC2)CCCCC1)N1CC[NH+](C2CCC2)CC1 ZINC000503094293 503345565 /nfs/dbraw/zinc/34/55/65/503345565.db2.gz OPCHCNWQWXDXDK-UHFFFAOYSA-N 2 0 362.562 3.055 20 0 FGADRP CC(C)C[C@@H](CNC(=O)N1CC[NH+]2CCC1CC2)[NH2+][C@H](C)c1ccccc1 ZINC000499196641 503353445 /nfs/dbraw/zinc/35/34/45/503353445.db2.gz WETRQPVCWHONTE-QUCCMNQESA-N 2 0 372.557 3.242 20 0 FGADRP C[NH+](C)[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1)c1ccccc1 ZINC000511668292 503366519 /nfs/dbraw/zinc/36/65/19/503366519.db2.gz SIHXMFWPGOTAKN-SFTDATJTSA-N 2 0 351.494 3.070 20 0 FGADRP C[NH+](C)[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1Cc1ccccc1)c1ccccc1 ZINC000511668291 503366792 /nfs/dbraw/zinc/36/67/92/503366792.db2.gz SIHXMFWPGOTAKN-RTWAWAEBSA-N 2 0 351.494 3.070 20 0 FGADRP C[NH+](C)[C@H]1CCc2cc(NC(=O)C3CC[NH+]([C@H]4CCSC4)CC3)ccc21 ZINC000515798290 503403939 /nfs/dbraw/zinc/40/39/39/503403939.db2.gz NCJFRDRLJYEUOZ-ICSRJNTNSA-N 2 0 373.566 3.392 20 0 FGADRP O=C(c1ccc(C[NH+]2CCCC2)cc1)N1CCC[N@H+](CC2CCC2)CC1 ZINC000508012694 503412952 /nfs/dbraw/zinc/41/29/52/503412952.db2.gz LHYXNYDTTNCVJA-UHFFFAOYSA-N 2 0 355.526 3.230 20 0 FGADRP CC[NH+](CC)Cc1ccc(C(=O)N2CCC[N@H+](CC3CCC3)CC2)cc1 ZINC000508044149 503418288 /nfs/dbraw/zinc/41/82/88/503418288.db2.gz YZOKRNDGVFGGIC-UHFFFAOYSA-N 2 0 357.542 3.476 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC000503485127 503419085 /nfs/dbraw/zinc/41/90/85/503419085.db2.gz GCMMYFFZEIIIKJ-CMKODMSKSA-N 2 0 373.541 3.078 20 0 FGADRP CC(C)[NH+]1CCN(c2cccc(NC(=O)[C@@H](C)[N@H+]3[C@H](C)CC[C@@H]3C)c2)CC1 ZINC000508068124 503422939 /nfs/dbraw/zinc/42/29/39/503422939.db2.gz LUFQLJFZNQGIQM-CEXWTWQISA-N 2 0 372.557 3.417 20 0 FGADRP Cc1cc([C@H](C)[NH2+][C@H](C)CCN2CC[NH+](C)CC2)sc1Br ZINC000511976616 503427197 /nfs/dbraw/zinc/42/71/97/503427197.db2.gz BSNUJEVZKXXDRJ-KGLIPLIRSA-N 2 0 374.392 3.496 20 0 FGADRP CC[NH+]1CCN(c2ccc(C[NH2+][C@H]3CCCc4ccc(O)cc43)cn2)CC1 ZINC000515982841 503427762 /nfs/dbraw/zinc/42/77/62/503427762.db2.gz QWCIHWVMGFUDQT-NRFANRHFSA-N 2 0 366.509 3.096 20 0 FGADRP CC[C@@H]1C[C@H](C[NH2+]CCCC[NH+]2CCN(Cc3ccccc3)CC2)CCO1 ZINC000503575872 503440021 /nfs/dbraw/zinc/44/00/21/503440021.db2.gz LAOUONKRKHHKGO-DHIUTWEWSA-N 2 0 373.585 3.379 20 0 FGADRP CC(C)(C)[NH+]1CCC([NH2+]C[C@H](O)COc2cccc3ccccc32)CC1 ZINC000516129571 503452582 /nfs/dbraw/zinc/45/25/82/503452582.db2.gz OXNUQRIUQDJMJC-IBGZPJMESA-N 2 0 356.510 3.432 20 0 FGADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)N[C@@H](C)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000493940655 503462585 /nfs/dbraw/zinc/46/25/85/503462585.db2.gz JOWNEJGUQMQDTD-NSHGMRRFSA-N 2 0 360.546 3.097 20 0 FGADRP CC[NH+]1CCN(c2ccc(C[NH2+]C/C=C\c3ccc(F)c(F)c3)cn2)CC1 ZINC000512134165 503464893 /nfs/dbraw/zinc/46/48/93/503464893.db2.gz YAMIAVPJHOHBSP-ARJAWSKDSA-N 2 0 372.463 3.305 20 0 FGADRP CCC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000493990776 503471349 /nfs/dbraw/zinc/47/13/49/503471349.db2.gz DCOLTAFITWCBHW-FQEVSTJZSA-N 2 0 359.514 3.364 20 0 FGADRP COC(=O)[C@@H](c1ccsc1)N1CCC(c2ncc3n2CCCC3)CC1 ZINC000499758157 503474895 /nfs/dbraw/zinc/47/48/95/503474895.db2.gz PYRPYQRBASDTMA-QGZVFWFLSA-N 2 0 359.495 3.375 20 0 FGADRP C[NH+](C)CCOC1CC[NH+](Cc2ccc(Sc3ccccn3)o2)CC1 ZINC000508369258 503483732 /nfs/dbraw/zinc/48/37/32/503483732.db2.gz FPEHXOLRKKVUGK-UHFFFAOYSA-N 2 0 361.511 3.368 20 0 FGADRP C[NH+](C)[C@@H](CNC(=O)C[N@@H+](C)Cc1cccc2[nH]ccc21)c1ccccc1 ZINC000494087764 503485943 /nfs/dbraw/zinc/48/59/43/503485943.db2.gz HSRNCEKLIHVQDF-NRFANRHFSA-N 2 0 364.493 3.019 20 0 FGADRP COc1cc(C[NH2+]CC2(C)CC[NH+](C)CC2)ccc1OCC(F)(F)F ZINC000503918749 503488775 /nfs/dbraw/zinc/48/87/75/503488775.db2.gz CXNNUQZEJDQMJA-UHFFFAOYSA-N 2 0 360.420 3.458 20 0 FGADRP O=C(NCCC[NH+]1CCCC1)C1CC[NH+](C[C@H]2C[C@H]2c2ccccc2)CC1 ZINC000516347731 503498311 /nfs/dbraw/zinc/49/83/11/503498311.db2.gz FIDJHJYEZUMKDN-YADHBBJMSA-N 2 0 369.553 3.104 20 0 FGADRP CC1CC[NH+](Cc2ccccc2CNC(=O)[C@H]2CCC[N@@H+]2C2CC2)CC1 ZINC000494264968 503515655 /nfs/dbraw/zinc/51/56/55/503515655.db2.gz LICXJWQAPAYZHT-OAQYLSRUSA-N 2 0 355.526 3.162 20 0 FGADRP C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)[C@@H]3CCC[NH+]3C3CC3)cc2)C1 ZINC000494294942 503521944 /nfs/dbraw/zinc/52/19/44/503521944.db2.gz FJKWMAUKLIEUBS-UTKZUKDTSA-N 2 0 355.526 3.162 20 0 FGADRP C[C@@H]1C[C@@H](CC[NH2+][C@@H](C(N)=O)c2ccccc2)C[N@@H+]1Cc1ccccc1 ZINC000512331700 503522087 /nfs/dbraw/zinc/52/20/87/503522087.db2.gz PFXUPIDZVHCJSU-YFVAEKQCSA-N 2 0 351.494 3.103 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)[C@@H]2CCC[NH+]2C2CC2)cc1 ZINC000494326222 503525713 /nfs/dbraw/zinc/52/57/13/503525713.db2.gz GLMMJXRNJQEAJS-UTKZUKDTSA-N 2 0 355.526 3.304 20 0 FGADRP C[C@H]1C[C@H](CCNC(=O)C[NH+]2CCC(C)CC2)C[N@@H+]1Cc1ccccc1 ZINC000512545454 503581318 /nfs/dbraw/zinc/58/13/18/503581318.db2.gz OFIRUMFPSOCHCU-FPOVZHCZSA-N 2 0 357.542 3.135 20 0 FGADRP CC(C)[C@@H]([NH3+])C(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000494672578 503589506 /nfs/dbraw/zinc/58/95/06/503589506.db2.gz ZZNXWGJCRLANFH-USXIJHARSA-N 2 0 371.447 3.188 20 0 FGADRP CC(C)[NH+](CCN(C)C(=O)N[C@@H](C)[C@@H](c1ccccc1)[NH+](C)C)C(C)C ZINC000508894021 503592412 /nfs/dbraw/zinc/59/24/12/503592412.db2.gz JYNITIOQJZIKCQ-ICSRJNTNSA-N 2 0 362.562 3.438 20 0 FGADRP COc1cc(C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)ccn1 ZINC000512614153 503595547 /nfs/dbraw/zinc/59/55/47/503595547.db2.gz UYHJVGNOFFZHKM-PWRODBHTSA-N 2 0 351.494 3.481 20 0 FGADRP c1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH2+]CCNc4ccccn4)[C@H]3C2)cc1 ZINC000512627104 503597798 /nfs/dbraw/zinc/59/77/98/503597798.db2.gz ZYZGYGBMCSTVBA-PCCBWWKXSA-N 2 0 350.510 3.384 20 0 FGADRP CC[N@H+](CCC1CC[NH+](Cc2ccc(C(=O)OC)cn2)CC1)CC1CC1 ZINC000508990827 503614671 /nfs/dbraw/zinc/61/46/71/503614671.db2.gz KDMJITKPDYBZMD-UHFFFAOYSA-N 2 0 359.514 3.202 20 0 FGADRP Cc1ccc2c(c1)[C@H](NC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)CCC2 ZINC000494855298 503623780 /nfs/dbraw/zinc/62/37/80/503623780.db2.gz DCLVJHKRUYIZPY-OAQYLSRUSA-N 2 0 374.573 3.287 20 0 FGADRP CCc1cc(OC)ccc1C[NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000500439235 503625722 /nfs/dbraw/zinc/62/57/22/503625722.db2.gz INCPOYCEVYVKHW-NRFANRHFSA-N 2 0 354.494 3.114 20 0 FGADRP C[C@H](NC(=O)NCC1([NH3+])CCCCCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000517019811 503645780 /nfs/dbraw/zinc/64/57/80/503645780.db2.gz PRWJFNZIZCPXBC-ICSRJNTNSA-N 2 0 372.557 3.248 20 0 FGADRP CCn1ccnc1CN(C(=O)CC1=CCCCC1)[C@@H]1CC12CC[NH2+]CC2 ZINC000517165967 503659110 /nfs/dbraw/zinc/65/91/10/503659110.db2.gz SMKOVJSUNKRQQS-GOSISDBHSA-N 2 0 356.514 3.264 20 0 FGADRP Cc1ccccc1[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1)C1CCCC1 ZINC000495078938 503661308 /nfs/dbraw/zinc/66/13/08/503661308.db2.gz LNCFSKOLRLFWFX-FPOVZHCZSA-N 2 0 357.542 3.403 20 0 FGADRP Cc1ccccc1[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1)C1CCCC1 ZINC000495078940 503661714 /nfs/dbraw/zinc/66/17/14/503661714.db2.gz LNCFSKOLRLFWFX-TZIWHRDSSA-N 2 0 357.542 3.403 20 0 FGADRP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(C)c(OCC(=O)OC)c(C)c2)C[C@@H]1C ZINC000536660019 503665659 /nfs/dbraw/zinc/66/56/59/503665659.db2.gz SHQPEUJZJKLZGG-PKOBYXMFSA-N 2 0 362.514 3.160 20 0 FGADRP O=C(NC[C@H]1CC[N@@H+]1C1CCCCC1)c1cccc(C[NH+]2CCCC2)c1 ZINC000529717435 503676621 /nfs/dbraw/zinc/67/66/21/503676621.db2.gz GNCQHDWOBIUZNI-OAQYLSRUSA-N 2 0 355.526 3.419 20 0 FGADRP COc1cc(C)ccc1[C@H](C)[NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000540171599 503695921 /nfs/dbraw/zinc/69/59/21/503695921.db2.gz SQMAXPLPIMUZHY-KRWDZBQOSA-N 2 0 369.509 3.146 20 0 FGADRP C[C@@H]([NH2+]C[C@H](O)COc1ccccc1C(F)(F)F)C(C)(C)C[NH+](C)C ZINC000517359503 503724816 /nfs/dbraw/zinc/72/48/16/503724816.db2.gz GPOQRTKNZRRSLD-KGLIPLIRSA-N 2 0 362.436 3.011 20 0 FGADRP CC[N@H+](CCC1CCN(C(=O)NC[C@@H](C)[NH+](C)C2CC2)CC1)CC(C)C ZINC000540272005 503727511 /nfs/dbraw/zinc/72/75/11/503727511.db2.gz YNAZHFXXSOXWCV-GOSISDBHSA-N 2 0 366.594 3.259 20 0 FGADRP CC1CC[NH+](CCCCNC(=O)NCC[NH+]2[C@@H](C)CCC[C@@H]2C)CC1 ZINC000517393508 503735066 /nfs/dbraw/zinc/73/50/66/503735066.db2.gz REDIHXCPWZVCCU-OALUTQOASA-N 2 0 352.567 3.061 20 0 FGADRP CCn1nccc1C[NH2+]CCc1ccc(OCC[NH+]2C[C@H](C)[C@@H](C)C2)cc1 ZINC000540325101 503737544 /nfs/dbraw/zinc/73/75/44/503737544.db2.gz WNMFUXKPOIIWKM-OALUTQOASA-N 2 0 370.541 3.202 20 0 FGADRP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000517420377 503741540 /nfs/dbraw/zinc/74/15/40/503741540.db2.gz LWBBNWFOGZHWPM-KDURUIRLSA-N 2 0 372.557 3.345 20 0 FGADRP Cc1cc([C@@H]([NH2+]CCCC[N@@H+]2CCC[C@H]2CO)c2cccnc2)ccc1F ZINC000543404672 503756656 /nfs/dbraw/zinc/75/66/56/503756656.db2.gz PYYUUAJWSZDWNA-RBBKRZOGSA-N 2 0 371.500 3.445 20 0 FGADRP C[C@@H]1CC[C@H]([NH2+]Cc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)[C@H](C)C1 ZINC000543405470 503757151 /nfs/dbraw/zinc/75/71/51/503757151.db2.gz XINKYULUWROKSN-JYWFKMLOSA-N 2 0 357.542 3.298 20 0 FGADRP CC(C)[C@@H](C[NH2+][C@@H](c1ccc(F)cc1)c1cccnc1)N1CC[NH+](C)CC1 ZINC000543410978 503760011 /nfs/dbraw/zinc/76/00/11/503760011.db2.gz CAGFCJBRZPWWJX-YADHBBJMSA-N 2 0 370.516 3.172 20 0 FGADRP COc1cc(Br)ccc1CCC[NH2+][C@@H]1CC[N@H+](C)C[C@H]1C ZINC000543418285 503762152 /nfs/dbraw/zinc/76/21/52/503762152.db2.gz RZHCQVPREJWVGZ-CZUORRHYSA-N 2 0 355.320 3.320 20 0 FGADRP C[C@H](CC[NH2+][C@@H](C)[C@H](c1ccccc1)N1CCOCC1)[NH+]1CCCCC1 ZINC000543417893 503762361 /nfs/dbraw/zinc/76/23/61/503762361.db2.gz HHFBIZGFYBHTNI-RZUBCFFCSA-N 2 0 359.558 3.303 20 0 FGADRP C[C@@H]1C[C@H](CC[NH2+]C[C@H](O)Cc2ccccc2)C[N@@H+]1Cc1ccccc1 ZINC000517555936 503770142 /nfs/dbraw/zinc/77/01/42/503770142.db2.gz BUMLIELAFIRKMR-WTIAFYNJSA-N 2 0 352.522 3.480 20 0 FGADRP COC[C@@H](C)C[NH2+]Cc1ccccc1C[NH+]1CCN(c2ccccc2)CC1 ZINC000527366335 503779265 /nfs/dbraw/zinc/77/92/65/503779265.db2.gz BSEGDCCXSFOMOR-FQEVSTJZSA-N 2 0 367.537 3.381 20 0 FGADRP Fc1ccc(-n2cc(C[NH2+]CCCCC[NH+]3CCCC3)nn2)cc1Cl ZINC000517593844 503781221 /nfs/dbraw/zinc/78/12/21/503781221.db2.gz NUZRYLOPNTUDST-UHFFFAOYSA-N 2 0 365.884 3.416 20 0 FGADRP C[C@H]1C[N@H+](CCOc2ccc(CC[NH2+][C@@H]3CC[NH+](C)C[C@H]3C)cc2)C[C@H]1C ZINC000537093266 503800906 /nfs/dbraw/zinc/80/09/06/503800906.db2.gz FPRCQRBTQFYCSE-VLVHOKLOSA-N 3 0 373.585 3.126 20 0 FGADRP CC[C@@H]([NH2+]CCCC[NH+]1CCN(c2ccccc2)CC1)c1ccn(C)n1 ZINC000543592398 503823712 /nfs/dbraw/zinc/82/37/12/503823712.db2.gz SYCUAVGQNMIZHW-HXUWFJFHSA-N 2 0 355.530 3.063 20 0 FGADRP CC(C)[C@H](CNC(=O)N[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1)[NH+]1CCCC1 ZINC000517889397 503859681 /nfs/dbraw/zinc/85/96/81/503859681.db2.gz KZGQTCIRZWIBKI-TYPHKJRUSA-N 2 0 372.557 3.242 20 0 FGADRP CC(C)[N@H+](C)Cc1ccccc1C[NH2+]C[C@H](O)COc1ccc(F)cc1 ZINC000517922485 503867791 /nfs/dbraw/zinc/86/77/91/503867791.db2.gz KIMKLZICLMDXGY-FQEVSTJZSA-N 2 0 360.473 3.195 20 0 FGADRP Brc1ccc(-c2n[nH]cc2C[NH2+]CCC[NH+]2CCCC2)s1 ZINC000527632492 503868168 /nfs/dbraw/zinc/86/81/68/503868168.db2.gz OVLMWNQLPQOKAU-UHFFFAOYSA-N 2 0 369.332 3.476 20 0 FGADRP C[C@]1(C[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)COc2ccccc2O1 ZINC000530212947 503879108 /nfs/dbraw/zinc/87/91/08/503879108.db2.gz SCHCBTDVUFXJTE-HSQYWUDLSA-N 2 0 366.461 3.062 20 0 FGADRP Cc1ccc(C[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)c(Br)c1 ZINC000530247880 503893155 /nfs/dbraw/zinc/89/31/55/503893155.db2.gz CHYNMEPJQBFCFA-QGZVFWFLSA-N 2 0 367.331 3.348 20 0 FGADRP CC(C[NH+]1CCC[C@@H]1C1CCOCC1)C[N@@H+]1CCC[C@@H]1C1CCOCC1 ZINC000540827011 503906599 /nfs/dbraw/zinc/90/65/99/503906599.db2.gz QGVSQJSBMDTELV-FGZHOGPDSA-N 2 0 364.574 3.405 20 0 FGADRP c1nn(-c2ccccc2)cc1C[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000518164204 503918684 /nfs/dbraw/zinc/91/86/84/503918684.db2.gz ACWHFCJSGMDQAF-IRLDBZIGSA-N 2 0 360.461 3.218 20 0 FGADRP COc1ccc(NC(=O)[C@@H](c2ccccc2)[N@@H+]2CCC[C@H](CC[NH3+])C2)cc1 ZINC000518187937 503924327 /nfs/dbraw/zinc/92/43/27/503924327.db2.gz PYCOJKOQUOPXJO-DYESRHJHSA-N 2 0 367.493 3.436 20 0 FGADRP Cc1ccc([C@H](C)[NH2+][C@@H](Cc2ccccc2)C(=O)NCC[NH+](C)C)c(C)c1 ZINC000537487160 503930913 /nfs/dbraw/zinc/93/09/13/503930913.db2.gz OAAPTEKJSBPKEC-UGKGYDQZSA-N 2 0 367.537 3.243 20 0 FGADRP O=C(NC[C@@H]1CC[N@@H+]1C1CCCCC1)NC1CC[NH+](C2CCCC2)CC1 ZINC000527792934 503946282 /nfs/dbraw/zinc/94/62/82/503946282.db2.gz YRSSMMZKEFLRDP-FQEVSTJZSA-N 2 0 362.562 3.100 20 0 FGADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]C[C@H](O)COc2ccc(Cl)cc2)C1 ZINC000518361709 503963081 /nfs/dbraw/zinc/96/30/81/503963081.db2.gz DQNWFWOEXQLFQC-AEFFLSMTSA-N 2 0 354.922 3.037 20 0 FGADRP CC[C@H](CCc1ccccc1)[NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000527854939 503974072 /nfs/dbraw/zinc/97/40/72/503974072.db2.gz XARWIAUFNQWGOE-OAQYLSRUSA-N 2 0 352.526 3.334 20 0 FGADRP C[C@H]([NH2+]Cc1cccc(OCC[N@H+](C)C2CCOCC2)c1)[C@H]1CC12CC2 ZINC000527859860 503975804 /nfs/dbraw/zinc/97/58/04/503975804.db2.gz RMOXCCYWRYQMQR-LAUBAEHRSA-N 2 0 358.526 3.454 20 0 FGADRP C[C@H]([NH2+]C[C@@H](n1cccn1)C(F)(F)F)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000527941408 504008242 /nfs/dbraw/zinc/00/82/42/504008242.db2.gz YVQOBGHOLOQULL-CGTJXYLNSA-N 2 0 366.431 3.487 20 0 FGADRP C[N@@H+](CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)C[C@H]1CC=CCC1 ZINC000544112240 504011983 /nfs/dbraw/zinc/01/19/83/504011983.db2.gz WOHDSTGSUOOMJV-FQEVSTJZSA-N 2 0 355.526 3.187 20 0 FGADRP COc1ccc(CC[NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)cn1 ZINC000527991436 504029526 /nfs/dbraw/zinc/02/95/26/504029526.db2.gz VPJIFAULTGSIDA-QHAWAJNXSA-N 2 0 351.494 3.133 20 0 FGADRP Cc1ccc([C@@H](CCn2cncn2)[NH2+]C[C@@H]2CCN2C2CCCC2)cc1 ZINC000528001756 504034151 /nfs/dbraw/zinc/03/41/51/504034151.db2.gz NAOULOGZYXKAAD-LEWJYISDSA-N 2 0 353.514 3.324 20 0 FGADRP C[C@H]([NH2+]C[C@@H]1CCN1C1CCCC1)[C@@H](c1ccccc1)N1CCOCC1 ZINC000528014440 504040543 /nfs/dbraw/zinc/04/05/43/504040543.db2.gz VVSYDEGBAOKUEK-NYVOZVTQSA-N 2 0 357.542 3.055 20 0 FGADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)NCc1ccc2ccccc2c1 ZINC000518741949 504052635 /nfs/dbraw/zinc/05/26/35/504052635.db2.gz LXOXGTLASWLHKT-UHFFFAOYSA-N 2 0 370.541 3.255 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)NCC[C@H](C)[NH+]1CCCCC1)c1ccco1 ZINC000544321496 504087014 /nfs/dbraw/zinc/08/70/14/504087014.db2.gz CVSROOINBPUTFP-ROUUACIJSA-N 2 0 364.534 3.226 20 0 FGADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@H](C)[C@H](c2ccccc2)N2CCOCC2)C1 ZINC000537946345 504091259 /nfs/dbraw/zinc/09/12/59/504091259.db2.gz AREGZVCIQAKBGP-MQSCRBSSSA-N 2 0 373.585 3.406 20 0 FGADRP CC[NH+](CC)[C@@H](C(=O)NCC[N@@H+](C)CC)c1cccc(C(F)(F)F)c1 ZINC000530814767 504095046 /nfs/dbraw/zinc/09/50/46/504095046.db2.gz SPGNGQYSGCXSBN-MRXNPFEDSA-N 2 0 359.436 3.156 20 0 FGADRP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+][C@H](c1ccc(F)cc1)c1ccccn1 ZINC000544355485 504101123 /nfs/dbraw/zinc/10/11/23/504101123.db2.gz RYLLTNQPUPRKLI-PZJWPPBQSA-N 2 0 357.473 3.137 20 0 FGADRP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+][C@@H](c1ccc(F)cc1)c1ccccn1 ZINC000544355484 504101272 /nfs/dbraw/zinc/10/12/72/504101272.db2.gz RYLLTNQPUPRKLI-FPOVZHCZSA-N 2 0 357.473 3.137 20 0 FGADRP C[C@H]1CCCC[N@@H+]1CCCNC(=O)[C@@H](c1cccc(Cl)c1)N(C)C ZINC000518969660 504105952 /nfs/dbraw/zinc/10/59/52/504105952.db2.gz MOYPAFXISQIESO-MAUKXSAKSA-N 2 0 351.922 3.323 20 0 FGADRP CC[NH+]1CCC([NH2+]CCCc2ccc(Br)cc2OC)CC1 ZINC000544374275 504107409 /nfs/dbraw/zinc/10/74/09/504107409.db2.gz FVROMZFNBQHAEN-UHFFFAOYSA-N 2 0 355.320 3.464 20 0 FGADRP C[NH+]1CCC(CC[NH2+]Cc2cn(-c3cccc(Cl)c3Cl)nn2)CC1 ZINC000534353945 504121095 /nfs/dbraw/zinc/12/10/95/504121095.db2.gz UGUHMTHQNSTIPK-UHFFFAOYSA-N 2 0 368.312 3.396 20 0 FGADRP C[C@@H]1C[C@H]([NH2+]CCCN2CCN(c3cc[nH+]cc3)CC2)c2ccccc21 ZINC000519026179 504121606 /nfs/dbraw/zinc/12/16/06/504121606.db2.gz FZKCUALMEMTLQZ-GCJKJVERSA-N 2 0 350.510 3.432 20 0 FGADRP C[N@H+](CCN(Cc1ccccc1)C(=O)[C@@H]1CC[NH+](C)C1)Cc1ccccc1 ZINC000530913278 504128942 /nfs/dbraw/zinc/12/89/42/504128942.db2.gz MDJNLEMTOUIQMO-JOCHJYFZSA-N 2 0 365.521 3.099 20 0 FGADRP C[C@H](CCNC(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1)[NH+]1CCCCC1 ZINC000541448706 504133496 /nfs/dbraw/zinc/13/34/96/504133496.db2.gz UBRMSOJYSPUZME-CTNGQTDRSA-N 2 0 372.557 3.387 20 0 FGADRP Cc1ncc2c(n1)CC[C@@H]([NH2+]C1CC[NH+]([C@@H](C)Cc3ccccc3)CC1)C2 ZINC000519076317 504133656 /nfs/dbraw/zinc/13/36/56/504133656.db2.gz HKNPWMQZPYPVET-HTAPYJJXSA-N 2 0 364.537 3.328 20 0 FGADRP CC[NH+](CC)C[C@H](C)NC(=O)NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000519078354 504134125 /nfs/dbraw/zinc/13/41/25/504134125.db2.gz OMJVULDRONTKNV-MOPGFXCFSA-N 2 0 374.573 3.448 20 0 FGADRP CC(C[NH+]1CC[C@H](C(C)(C)C)[C@H](O)C1)C[N@@H+]1CC[C@H](C(C)(C)C)[C@H](O)C1 ZINC000544439493 504135586 /nfs/dbraw/zinc/13/55/86/504135586.db2.gz ZJQADBUISRYAGV-VNTMZGSJSA-N 2 0 368.606 3.080 20 0 FGADRP Cc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000538128434 504138801 /nfs/dbraw/zinc/13/88/01/504138801.db2.gz OWJZRVKTTZZPCS-CNNODRBYSA-N 2 0 365.521 3.425 20 0 FGADRP CC(C)CC[NH+]1CCC(CNC(=O)NC[C@H]2CC[N@@H+]2C2CCCC2)CC1 ZINC000528287203 504149172 /nfs/dbraw/zinc/14/91/72/504149172.db2.gz IJTIQBZSPFYWLZ-HXUWFJFHSA-N 2 0 364.578 3.061 20 0 FGADRP Cc1ccc([C@H](CNC(=O)NCC[C@H](C)[NH+]2CCCCC2)[NH+](C)C)cc1 ZINC000541509907 504155356 /nfs/dbraw/zinc/15/53/56/504155356.db2.gz QLFUSQIZPZQTQD-ICSRJNTNSA-N 2 0 360.546 3.161 20 0 FGADRP C[C@H]1C[C@@H](CC[NH2+]C2CCN(C(=O)N(C)C)CC2)C[N@@H+]1Cc1ccccc1 ZINC000538196414 504159070 /nfs/dbraw/zinc/15/90/70/504159070.db2.gz GDQJNQSHKNHCKT-AZUAARDMSA-N 2 0 372.557 3.023 20 0 FGADRP C[C@@H]1C[C@H](CC[NH2+]C2CCN(C(=O)N(C)C)CC2)C[N@@H+]1Cc1ccccc1 ZINC000538196416 504159284 /nfs/dbraw/zinc/15/92/84/504159284.db2.gz GDQJNQSHKNHCKT-QUCCMNQESA-N 2 0 372.557 3.023 20 0 FGADRP CC1CC[NH+]([C@@H](CNC(=O)N2CCC[C@@H]([NH+](C)C)C2)c2ccccc2)CC1 ZINC000519179323 504159369 /nfs/dbraw/zinc/15/93/69/504159369.db2.gz HOCCEUCCOJTQMZ-RTWAWAEBSA-N 2 0 372.557 3.195 20 0 FGADRP C[C@H](NC(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C)C(C)(C)C[NH+](C)C ZINC000531013146 504162182 /nfs/dbraw/zinc/16/21/82/504162182.db2.gz VTCHGAUKIZNKRD-YOEHRIQHSA-N 2 0 368.953 3.218 20 0 FGADRP CCC[C@@H](C)NC(=O)[C@H]1CCC[N@H+](Cc2cn(-c3cc[nH+]cc3)nc2C)C1 ZINC000541534440 504166985 /nfs/dbraw/zinc/16/69/85/504166985.db2.gz QBKQGHIORJOKGR-AEFFLSMTSA-N 2 0 369.513 3.093 20 0 FGADRP C[C@H]([NH2+]Cc1cc(C(F)(F)F)ccc1N1CC[NH+](C)CC1)[C@@H]1CCCO1 ZINC000541544085 504171811 /nfs/dbraw/zinc/17/18/11/504171811.db2.gz RHBCWZHCFCEVQD-KSSFIOAISA-N 2 0 371.447 3.114 20 0 FGADRP C[C@@H]1CCC[N@H+](CCN[C@H]2CC3(CC[NH+](C)CC3)Oc3ccccc32)C1 ZINC000538276011 504184809 /nfs/dbraw/zinc/18/48/09/504184809.db2.gz MFCQKGFZCATSIY-QUCCMNQESA-N 2 0 357.542 3.296 20 0 FGADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)[C@@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 ZINC000531118830 504195945 /nfs/dbraw/zinc/19/59/45/504195945.db2.gz COHCLOYXGMNYRF-DLBZAZTESA-N 2 0 372.340 3.049 20 0 FGADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H](O)COCc2ccccc2Cl)C[C@H]1C ZINC000531139522 504202702 /nfs/dbraw/zinc/20/27/02/504202702.db2.gz CBLKDEFQCJWYFC-NJAFHUGGSA-N 2 0 354.922 3.022 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N[C@H](C)C[C@@H](C)[NH3+])c1ccccc1Cl ZINC000519396127 504211397 /nfs/dbraw/zinc/21/13/97/504211397.db2.gz ZNAPSWZWYYENDH-CKEIUWERSA-N 2 0 354.926 3.148 20 0 FGADRP CC[NH+](CC)CC1CCN(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)CC1 ZINC000534721165 504223780 /nfs/dbraw/zinc/22/37/80/504223780.db2.gz KRGBQOZHLIZBFS-LEWJYISDSA-N 2 0 372.557 3.195 20 0 FGADRP CCC1(CC)[C@H]([NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)[C@H](C)[C@@H]1OC ZINC000538407709 504238073 /nfs/dbraw/zinc/23/80/73/504238073.db2.gz KOFJKHZZFCKJDJ-ZMHJYQQXSA-N 2 0 352.563 3.184 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1CCCNC(=O)[C@@H]1CCCC[NH+]1Cc1ccccc1 ZINC000531282824 504251681 /nfs/dbraw/zinc/25/16/81/504251681.db2.gz NZEVCKYTRKSPOH-CTNGQTDRSA-N 2 0 357.542 3.422 20 0 FGADRP COC(=O)c1ccc(C[NH2+]CC[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)[nH]1 ZINC000541922997 504303357 /nfs/dbraw/zinc/30/33/57/504303357.db2.gz WOPMHLSBLXGFPR-SJLPKXTDSA-N 2 0 355.482 3.192 20 0 FGADRP C[C@@H]1C[C@H]([NH2+]CC2CC[NH+](CC(=O)NC(C)(C)C)CC2)c2ccccc21 ZINC000519721366 504316213 /nfs/dbraw/zinc/31/62/13/504316213.db2.gz FFHFEWZRCPOJBS-UZLBHIALSA-N 2 0 357.542 3.451 20 0 FGADRP CC[NH+](CC)CCCC1CC[NH+](Cc2cc(=O)n3cc(C)ccc3n2)CC1 ZINC000542018186 504337251 /nfs/dbraw/zinc/33/72/51/504337251.db2.gz ZNUUYWOGNWNEHE-UHFFFAOYSA-N 2 0 370.541 3.337 20 0 FGADRP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(OCc3noc(C)n3)cc2)C[C@H]1C ZINC000538720177 504342461 /nfs/dbraw/zinc/34/24/61/504342461.db2.gz KYBHCWKCIKXFIW-QAPCUYQASA-N 2 0 358.486 3.262 20 0 FGADRP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000519920159 504383855 /nfs/dbraw/zinc/38/38/55/504383855.db2.gz QGJOQRUDIZBIJL-CUXKYVRBSA-N 2 0 371.569 3.381 20 0 FGADRP C[C@H](C[NH2+][C@@H](C)c1sccc1Br)CN1CC[NH+](C)CC1 ZINC000531705574 504398211 /nfs/dbraw/zinc/39/82/11/504398211.db2.gz URZBSMJWSPSIBQ-OLZOCXBDSA-N 2 0 360.365 3.045 20 0 FGADRP CCc1cnc(C[NH2+]CCCC[NH+]2CCN(Cc3ccccc3)CC2)s1 ZINC000542317193 504447833 /nfs/dbraw/zinc/44/78/33/504447833.db2.gz CWRBDKCDDKFLTR-UHFFFAOYSA-N 2 0 372.582 3.393 20 0 FGADRP COC1CC[NH+](C(C)(C)CN[C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000548483522 504461195 /nfs/dbraw/zinc/46/11/95/504461195.db2.gz CDDVQYRHYLNWGH-CTNGQTDRSA-N 2 0 373.585 3.376 20 0 FGADRP CN1C(=O)C[C@@H](NCC[C@H]2CCCC[N@@H+]2C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000520312375 504462399 /nfs/dbraw/zinc/46/23/99/504462399.db2.gz JRDRIDSPSYXSFK-BJZITVGISA-N 2 0 367.896 3.215 20 0 FGADRP CN1C(=O)C[C@H](NCC[C@H]2CCCC[N@@H+]2C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000520312377 504463346 /nfs/dbraw/zinc/46/33/46/504463346.db2.gz JRDRIDSPSYXSFK-LJHODMEESA-N 2 0 367.896 3.215 20 0 FGADRP C[C@H]([NH2+]CCc1cn2ccccc2n1)c1cccc(N2CCOCC2)c1 ZINC000531942749 504481676 /nfs/dbraw/zinc/48/16/76/504481676.db2.gz KUUKCPIUZIMECZ-KRWDZBQOSA-N 2 0 350.466 3.064 20 0 FGADRP C[C@@H]([NH2+]CCc1ccc(OCC[N@@H+]2C[C@H](C)[C@H](C)C2)cc1)[C@H]1CCCO1 ZINC000542493601 504512177 /nfs/dbraw/zinc/51/21/77/504512177.db2.gz GKSZBJMBAUMCNH-VQQMMKBISA-N 2 0 360.542 3.353 20 0 FGADRP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+][C@@H]1CCCOc2cc(Cl)ccc21 ZINC000539320799 504529154 /nfs/dbraw/zinc/52/91/54/504529154.db2.gz YSUJJGLMWTWNIB-FUHWJXTLSA-N 2 0 352.906 3.380 20 0 FGADRP c1[nH]nc(-c2ccc3c(c2)OCO3)c1C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000535780884 504542260 /nfs/dbraw/zinc/54/22/60/504542260.db2.gz GZTMEWQQGHBADE-UHFFFAOYSA-N 2 0 368.481 3.113 20 0 FGADRP C[C@H]1CCCC[C@H]1[N@H+](C)CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000548730142 504544382 /nfs/dbraw/zinc/54/43/82/504544382.db2.gz NGFVXKUYIDUCRT-GHTZIAJQSA-N 2 0 357.542 3.409 20 0 FGADRP CC[NH+](CC)[C@@H](C(=O)N(C)CCC[NH+](C)C)c1cccc(C(F)(F)F)c1 ZINC000539417381 504564877 /nfs/dbraw/zinc/56/48/77/504564877.db2.gz JOKDXSXAEQGUMU-QGZVFWFLSA-N 2 0 373.463 3.498 20 0 FGADRP O=C(NCc1cccc(C[NH+]2CCCC2)c1)Nc1cccc2c1CC[NH2+]C2 ZINC000520765395 504577192 /nfs/dbraw/zinc/57/71/92/504577192.db2.gz SLRKECHCUOXMSL-UHFFFAOYSA-N 2 0 364.493 3.250 20 0 FGADRP C[C@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+][C@H]1CN(C2CC2)C[C@H]1C ZINC000532246617 504584554 /nfs/dbraw/zinc/58/45/54/504584554.db2.gz UBNQPKLJWZVHRV-XNJGSVPQSA-N 2 0 369.431 3.495 20 0 FGADRP CCO[C@H]1C[C@H]([NH2+]Cc2ccccc2CN2CC[NH+](CC)CC2)C12CCC2 ZINC000539500232 504591878 /nfs/dbraw/zinc/59/18/78/504591878.db2.gz VIRXHMHIQJEIFW-VXKWHMMOSA-N 2 0 371.569 3.261 20 0 FGADRP CN(C)c1cc[nH+]cc1C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000542769026 504601463 /nfs/dbraw/zinc/60/14/63/504601463.db2.gz LGAMNUPDEHZDEV-UHFFFAOYSA-N 2 0 352.482 3.064 20 0 FGADRP CN(CCC(=O)Nc1ccccc1NC1CC[NH+](C)CC1)c1cc[nH+]cc1 ZINC000542784976 504609591 /nfs/dbraw/zinc/60/95/91/504609591.db2.gz JRHQLYVHDDTKRL-UHFFFAOYSA-N 2 0 367.497 3.053 20 0 FGADRP C[C@H](CC[NH+](C)C)NC(=O)NCc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000521016936 504631703 /nfs/dbraw/zinc/63/17/03/504631703.db2.gz IXBWIBJVPNOFII-ZWKOTPCHSA-N 2 0 360.546 3.058 20 0 FGADRP CCC1(CC)[C@H]([NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H]2CO)C[C@@H]1OC ZINC000542847838 504633692 /nfs/dbraw/zinc/63/36/92/504633692.db2.gz YCUJYJMDDMGNLH-HBMCJLEFSA-N 2 0 360.542 3.327 20 0 FGADRP CC(C)(C)N(Cc1ccccc1)C(=O)C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000521045276 504636485 /nfs/dbraw/zinc/63/64/85/504636485.db2.gz MFSRSOXEAYFZKP-HXUWFJFHSA-N 2 0 357.542 3.135 20 0 FGADRP CSc1ccc([C@@H](C)[NH2+][C@@H](CC(C)C)C(=O)NCC[NH+](C)C)cc1F ZINC000539645376 504638194 /nfs/dbraw/zinc/63/81/94/504638194.db2.gz LANRGMBKDQLZED-PBHICJAKSA-N 2 0 369.550 3.291 20 0 FGADRP COc1ccc2oc([C@@H](C)[NH2+]CCCC[NH+]3CCN(C)CC3)c(C)c2c1 ZINC000532449862 504655531 /nfs/dbraw/zinc/65/55/31/504655531.db2.gz SBWWRYXSVKKNPC-QGZVFWFLSA-N 2 0 359.514 3.428 20 0 FGADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CCNc1ncc(C(F)(F)F)cc1Cl ZINC000532521766 504680790 /nfs/dbraw/zinc/68/07/90/504680790.db2.gz MMHWKWGIEKEXSS-ZWNOBZJWSA-N 2 0 350.816 3.096 20 0 FGADRP OC[C@@H](C[NH2+]C1CC[NH+](CC2CC2)CC1)Cc1c(F)cccc1Cl ZINC000532531362 504684745 /nfs/dbraw/zinc/68/47/45/504684745.db2.gz SAEAYKDJOSESNA-OAHLLOKOSA-N 2 0 354.897 3.094 20 0 FGADRP C[C@H]([NH2+]Cc1cnn(CC(F)(F)F)c1)c1cccc(OCC[NH+](C)C)c1 ZINC000532538899 504687284 /nfs/dbraw/zinc/68/72/84/504687284.db2.gz YQEBRDDSLKFJSQ-AWEZNQCLSA-N 2 0 370.419 3.237 20 0 FGADRP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(OCc3nccn3C)cc2)C[C@@H]1C ZINC000532589543 504704659 /nfs/dbraw/zinc/70/46/59/504704659.db2.gz LFVMGXRBVVYADB-PKOBYXMFSA-N 2 0 356.514 3.304 20 0 FGADRP CC(C)[N@H+](C)CC1CC[NH+]([C@H]2CCCN(c3ccccc3F)C2=O)CC1 ZINC000536535643 504756681 /nfs/dbraw/zinc/75/66/81/504756681.db2.gz SMOOQLUBQSUOCA-FQEVSTJZSA-N 2 0 361.505 3.373 20 0 FGADRP Cc1nc(-c2cccc(NC(=O)CN3C[C@H](C[NH3+])[C@@H](C)C[C@H]3C)c2)cs1 ZINC000565045060 504779686 /nfs/dbraw/zinc/77/96/86/504779686.db2.gz WLWLNWQGRBZLJM-VBQJREDUSA-N 2 0 372.538 3.362 20 0 FGADRP Cc1nc(-c2cccc(NC(=O)CN3C[C@H](C[NH3+])[C@H](C)C[C@H]3C)c2)cs1 ZINC000565045055 504779903 /nfs/dbraw/zinc/77/99/03/504779903.db2.gz WLWLNWQGRBZLJM-CPUCHLNUSA-N 2 0 372.538 3.362 20 0 FGADRP O=C(C[NH2+][C@@H](c1ccccc1)C1CCCC1)NC1CC[NH+](C2CC2)CC1 ZINC000552921508 504787955 /nfs/dbraw/zinc/78/79/55/504787955.db2.gz RORIQMPTFVJYFK-QFIPXVFZSA-N 2 0 355.526 3.251 20 0 FGADRP CC(C)(C)C[C@H]([NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1)c1ccccc1 ZINC000552947371 504791933 /nfs/dbraw/zinc/79/19/33/504791933.db2.gz QJVDGFDGJUPYBL-FQEVSTJZSA-N 2 0 357.542 3.497 20 0 FGADRP c1ccc(C[NH2+][C@H]2CCO[C@@H]2C2CC2)c(C[NH2+][C@@H]2CCO[C@@H]2C2CC2)c1 ZINC000562361189 504795132 /nfs/dbraw/zinc/79/51/32/504795132.db2.gz AEUHSEMAWQSJBM-CIAFKFPVSA-N 2 0 356.510 3.001 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCc2cc(C(F)(F)F)ccn2)[C@H](C)C1 ZINC000556234069 504824940 /nfs/dbraw/zinc/82/49/40/504824940.db2.gz ULBDCTFLYCSEFW-QAPCUYQASA-N 2 0 373.463 3.370 20 0 FGADRP Cc1cnccc1OC1CCN(C(=O)NCC2([NH+](C)C)CCCCC2)CC1 ZINC000565285490 504842700 /nfs/dbraw/zinc/84/27/00/504842700.db2.gz LBLGSUVMLAMSEZ-UHFFFAOYSA-N 2 0 374.529 3.207 20 0 FGADRP CC[C@@H](C)[C@H]([NH2+]Cc1cncn1C)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000556326029 504845673 /nfs/dbraw/zinc/84/56/73/504845673.db2.gz BJZFWHVSWWFDKN-UZLBHIALSA-N 2 0 369.513 3.163 20 0 FGADRP CC[C@H](C(=O)N1CC[C@H](C[NH+]2CCCCC2)C1)[N@H+](C)Cc1ccccc1 ZINC000549771315 504893650 /nfs/dbraw/zinc/89/36/50/504893650.db2.gz JQFWOLGVXFYBDO-NHCUHLMSSA-N 2 0 357.542 3.231 20 0 FGADRP CCC[NH+]1CCN(c2ccccc2C[NH2+]C[C@H]2CC[N@@H+](C(C)C)C2)CC1 ZINC000565509512 504907675 /nfs/dbraw/zinc/90/76/75/504907675.db2.gz YRNQPGWSAHZEBK-HXUWFJFHSA-N 3 0 358.574 3.039 20 0 FGADRP Cn1cccc1C[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000549879863 504924134 /nfs/dbraw/zinc/92/41/34/504924134.db2.gz NPEYVHGNVDCFGI-FQEVSTJZSA-N 2 0 353.510 3.044 20 0 FGADRP C[C@H]([NH2+]CCCC[NH+]1CCN(CCO)CC1)c1ccc(F)c2ccccc21 ZINC000559767428 504924778 /nfs/dbraw/zinc/92/47/78/504924778.db2.gz WVFIGBVEOBAPFX-SFHVURJKSA-N 2 0 373.516 3.020 20 0 FGADRP Cc1cc(C)c(NC(=O)[C@H](C)[NH+]2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)c(C)c1 ZINC000565648672 504947781 /nfs/dbraw/zinc/94/77/81/504947781.db2.gz SRXNNHSEISZEFI-SXLOBPIMSA-N 2 0 373.541 3.157 20 0 FGADRP CCC[N@H+](C)[C@H](CNC(=O)NC1CC[NH+](C)CC1)c1ccc(Cl)cc1 ZINC000553599859 504959042 /nfs/dbraw/zinc/95/90/42/504959042.db2.gz LQTULTYPUXZCJA-GOSISDBHSA-N 2 0 366.937 3.116 20 0 FGADRP C[C@H](C(=O)Nc1ccc(OC(F)F)cc1)[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000562838419 504961583 /nfs/dbraw/zinc/96/15/83/504961583.db2.gz XULRXHJNRCBXOI-CXAGYDPISA-N 2 0 367.440 3.079 20 0 FGADRP C[C@H](NC(=O)NCCC[N@@H+]1CCCC[C@@H]1C)[C@H](c1ccccc1)[NH+](C)C ZINC000562878774 504973652 /nfs/dbraw/zinc/97/36/52/504973652.db2.gz ZZUBUVQAHTUPPP-CMKODMSKSA-N 2 0 360.546 3.242 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)N1CC[NH+]2CCC1CC2 ZINC000560094545 504990698 /nfs/dbraw/zinc/99/06/98/504990698.db2.gz QEHAIDHMZZKFLU-GOSISDBHSA-N 2 0 370.541 3.051 20 0 FGADRP Cc1ccc(OC(F)F)c(C[N@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)c1 ZINC000556916898 505016276 /nfs/dbraw/zinc/01/62/76/505016276.db2.gz WWXKFCKJESGOJG-SFHVURJKSA-N 2 0 367.484 3.197 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1nsc2ccc(C)cc21 ZINC000550387850 505031524 /nfs/dbraw/zinc/03/15/24/505031524.db2.gz USWDGOCQXQEHRB-MRXNPFEDSA-N 2 0 374.554 3.093 20 0 FGADRP Cc1nn(-c2cc[nH+]cc2)cc1CN(Cc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000563130674 505056909 /nfs/dbraw/zinc/05/69/09/505056909.db2.gz RKYUKLCPSIKCRJ-JOCHJYFZSA-N 2 0 361.493 3.330 20 0 FGADRP CC[NH+]1CCC(N2CCC[N@H+](Cc3ccnc4ccccc34)CC2)CC1 ZINC000566077566 505074074 /nfs/dbraw/zinc/07/40/74/505074074.db2.gz AWBZOBAVYAQQBX-UHFFFAOYSA-N 2 0 352.526 3.227 20 0 FGADRP C[C@@H](CC(=O)Nc1ccccc1CN1C[C@@H](C)O[C@@H](C)C1)n1ccnc1 ZINC000563222997 505080240 /nfs/dbraw/zinc/08/02/40/505080240.db2.gz QZUDIZLSPPVYBI-YESZJQIVSA-N 2 0 356.470 3.082 20 0 FGADRP COc1ccc(C2CCC([NH2+]Cc3nnc(C4CC[NH2+]CC4)[nH]3)CC2)cc1 ZINC000566103289 505081397 /nfs/dbraw/zinc/08/13/97/505081397.db2.gz DXCBDOJWOQVNOM-UHFFFAOYSA-N 2 0 369.513 3.096 20 0 FGADRP CC(C)[N@@H+]1CCCC[C@H]1CN1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000550682067 505084285 /nfs/dbraw/zinc/08/42/85/505084285.db2.gz ULMGPVVLEFYAKD-SJBKTWHCSA-N 2 0 365.606 3.461 20 0 FGADRP C[C@H]([NH2+]C(C)(C)CNC(=O)N1CCC2(CC[NH2+]CC2)CC1)c1ccccc1 ZINC000557193772 505090383 /nfs/dbraw/zinc/09/03/83/505090383.db2.gz SBUVTNMZLLUVHX-SFHVURJKSA-N 2 0 372.557 3.291 20 0 FGADRP Cc1ccc(C[NH+]2CC[C@H](CN(C)C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)s1 ZINC000560482885 505099885 /nfs/dbraw/zinc/09/98/85/505099885.db2.gz BQQWOTQIVSNVTJ-JQHSSLGASA-N 2 0 363.571 3.067 20 0 FGADRP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@H](CC(C)(C)C)[NH2+]C ZINC000566181572 505106050 /nfs/dbraw/zinc/10/60/50/505106050.db2.gz PAVNGGVLQWQMMN-VQTJNVASSA-N 2 0 359.558 3.381 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2ccccc2-n2ccnn2)[C@@H](C)C1 ZINC000560524571 505114609 /nfs/dbraw/zinc/11/46/09/505114609.db2.gz GKBMMFPHZUOJRU-NSHGMRRFSA-N 2 0 371.529 3.055 20 0 FGADRP C[C@@H](C(=O)Nc1cccc2ccccc21)[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000566242736 505121168 /nfs/dbraw/zinc/12/11/68/505121168.db2.gz XQMWSCFVDSOYTI-LPHOPBHVSA-N 2 0 351.494 3.488 20 0 FGADRP C[C@H]([NH2+]Cc1ccc(C[S@](C)=O)cc1)c1cccc(OCC[NH+](C)C)c1 ZINC000560556401 505125204 /nfs/dbraw/zinc/12/52/04/505125204.db2.gz BNBFIIOKPCBXMM-QLXKLKPCSA-N 2 0 374.550 3.356 20 0 FGADRP C[NH+](C)CCc1ccc(C(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)cc1 ZINC000557436009 505134695 /nfs/dbraw/zinc/13/46/95/505134695.db2.gz WFAXRUZWVOFKPQ-JOCHJYFZSA-N 2 0 365.521 3.358 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccco1 ZINC000557577163 505173133 /nfs/dbraw/zinc/17/31/33/505173133.db2.gz RWJIDSAPMPUKGL-UXHICEINSA-N 2 0 369.509 3.301 20 0 FGADRP c1ccc(C[N@H+]2C[C@H](C[NH2+][C@H]3CCCOCC3)C3(C2)CCOCC3)cc1 ZINC000551265379 505188568 /nfs/dbraw/zinc/18/85/68/505188568.db2.gz UZLQTEWMQABNCL-SFTDATJTSA-N 2 0 358.526 3.074 20 0 FGADRP CC[C@@H](Cn1cncn1)[NH2+]Cc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000551270529 505190123 /nfs/dbraw/zinc/19/01/23/505190123.db2.gz OEXOOIRIDKMJIW-UEXGIBASSA-N 2 0 355.530 3.324 20 0 FGADRP [NH3+][C@H]1CCO[C@H](C2CC[NH+](Cc3c[nH]nc3-c3ccc(Cl)cc3)CC2)C1 ZINC000563607653 505191269 /nfs/dbraw/zinc/19/12/69/505191269.db2.gz CABFWGIYCKSAIT-OALUTQOASA-N 2 0 374.916 3.448 20 0 FGADRP C[N@@H+](Cc1cccc(I)c1)CC1CC[NH+](C)CC1 ZINC000551559248 505253487 /nfs/dbraw/zinc/25/34/87/505253487.db2.gz LXNULQFPECAFOF-UHFFFAOYSA-N 2 0 358.267 3.065 20 0 FGADRP Cc1cc2ncn(C[C@H](O)C[NH2+]Cc3ccc4ccccc4n3)c2cc1C ZINC000557799611 505233068 /nfs/dbraw/zinc/23/30/68/505233068.db2.gz DFGVZESEHTXXFD-LJQANCHMSA-N 2 0 360.461 3.352 20 0 FGADRP CC(C)[C@]1(CO)CCC[N@H+](CC[C@@H](C)[NH+]2CCC[C@](CO)(C(C)C)C2)C1 ZINC000561070189 505243004 /nfs/dbraw/zinc/24/30/04/505243004.db2.gz NEPSHCSPLDLBCQ-VSKRKVRLSA-N 2 0 368.606 3.226 20 0 FGADRP C[C@](CO)(C[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)Cc1ccccc1 ZINC000563804498 505243862 /nfs/dbraw/zinc/24/38/62/505243862.db2.gz PTLZNJUYPMGLQY-WWNPGLIZSA-N 2 0 366.505 3.073 20 0 FGADRP C[N@@H+]1CC[C@H]([NH2+]C[C@H](CO)Cc2c(F)cccc2Cl)[C@@H]2CCC[C@H]21 ZINC000563827616 505250728 /nfs/dbraw/zinc/25/07/28/505250728.db2.gz DTSYLZLVYXKSQW-SPLQCWDRSA-N 2 0 354.897 3.093 20 0 FGADRP C[N@@H+]1CC[C@H]([NH2+]C[C@H](CO)Cc2c(F)cccc2Cl)[C@H]2CCC[C@@H]21 ZINC000563827615 505250738 /nfs/dbraw/zinc/25/07/38/505250738.db2.gz DTSYLZLVYXKSQW-QZCPTFHJSA-N 2 0 354.897 3.093 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1)CC(C)C ZINC000561109024 505252962 /nfs/dbraw/zinc/25/29/62/505252962.db2.gz BYJBNHVPEACTME-VQTJNVASSA-N 2 0 366.594 3.403 20 0 FGADRP COc1ccc([C@H](C[NH3+])CN2CC[C@H](C)[N@H+](Cc3ccccc3)CC2)cc1 ZINC000566741219 505260441 /nfs/dbraw/zinc/26/04/41/505260441.db2.gz UJSCUMHFLLOKRX-SIKLNZKXSA-N 2 0 367.537 3.334 20 0 FGADRP C[C@@H]1CC[N@H+](CC(=O)NCc2ccccc2C[NH+]2C[C@@H](C)C[C@H](C)C2)C1 ZINC000561156872 505267132 /nfs/dbraw/zinc/26/71/32/505267132.db2.gz WPAGUZMDFXNEAF-QYZOEREBSA-N 2 0 357.542 3.123 20 0 FGADRP C[C@H]1C[C@H]1[N@@H+]1CCN(C(=O)c2ccc(Nc3cc[nH+]cc3)cc2)C[C@@H](C)C1 ZINC000558021117 505287632 /nfs/dbraw/zinc/28/76/32/505287632.db2.gz CZZWEMWNVARLGG-XGHQBKJUSA-N 2 0 364.493 3.049 20 0 FGADRP C[C@H]1C[N@H+](C)CC[C@H]1Nc1ccc(NC(=O)C[NH+]2CCCCCC2)cc1 ZINC000558043325 505294593 /nfs/dbraw/zinc/29/45/93/505294593.db2.gz XHIFKUORDGCKBS-FXAWDEMLSA-N 2 0 358.530 3.253 20 0 FGADRP C[C@H]([NH2+]C[C@H](O)Cc1cccc(Cl)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000558116811 505311711 /nfs/dbraw/zinc/31/17/11/505311711.db2.gz LFWAUPPLEWCTNK-XAUMDUMWSA-N 2 0 350.934 3.486 20 0 FGADRP CC(C)[C@H](CNC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1)[N@@H+]1CCc2ccccc2C1 ZINC000558146759 505319730 /nfs/dbraw/zinc/31/97/30/505319730.db2.gz NMAHZZYLXGDHMY-GBAJDQEWSA-N 2 0 369.553 3.106 20 0 FGADRP CSC1(C[NH2+][C@@H](C)c2ccc3c(c2)C(C)(C)C(=O)N3)CC[NH+](C)CC1 ZINC000555002742 505325992 /nfs/dbraw/zinc/32/59/92/505325992.db2.gz GSCCNVSDRHFTQO-AWEZNQCLSA-N 2 0 361.555 3.394 20 0 FGADRP Cc1nn(-c2ccccn2)c(C)c1C[NH2+]CCCC[NH+]1CCC(C)CC1 ZINC000566986122 505331493 /nfs/dbraw/zinc/33/14/93/505331493.db2.gz OEQHXFSFBPIKFS-UHFFFAOYSA-N 2 0 355.530 3.486 20 0 FGADRP C[C@H]([NH2+][C@@H](C)C1CCCCC1)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000567000418 505334353 /nfs/dbraw/zinc/33/43/53/505334353.db2.gz ZVYSCDSWTONLAS-WFXMLNOXSA-N 2 0 357.542 3.324 20 0 FGADRP C[C@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+]CCC1=CC[NH2+]CC1 ZINC000567159493 505381072 /nfs/dbraw/zinc/38/10/72/505381072.db2.gz MTHLWOPLNBFOTG-CYBMUJFWSA-N 2 0 355.404 3.322 20 0 FGADRP OC1(C(F)(F)F)CCC([NH2+]C[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)CC1 ZINC000567159531 505381127 /nfs/dbraw/zinc/38/11/27/505381127.db2.gz URSJRDDTLNFOIQ-FQXVJMBOSA-N 2 0 374.422 3.344 20 0 FGADRP C[C@H](Cc1ccccc1)C[NH+]1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000558415877 505382809 /nfs/dbraw/zinc/38/28/09/505382809.db2.gz IKKXBGHMLMNBPO-HXUWFJFHSA-N 2 0 371.569 3.179 20 0 FGADRP C[N@@H+]1CC[C@H]([NH2+]C[C@]2(Cc3ccc(F)cc3)CCC[C@@H]2O)[C@@H]2CCC[C@@H]21 ZINC000552056614 505383434 /nfs/dbraw/zinc/38/34/34/505383434.db2.gz LIQSDOIZLAEEET-KNOXWWKRSA-N 2 0 360.517 3.362 20 0 FGADRP C[C@@H]([NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc2c(c1)OCC(=O)N2 ZINC000552057269 505384427 /nfs/dbraw/zinc/38/44/27/505384427.db2.gz MJODSTSKHHJPOR-SJLPKXTDSA-N 2 0 365.477 3.190 20 0 FGADRP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)[C@@H]1C[NH2+]C[C@H]1c1ccc(Cl)cc1 ZINC000567176110 505385616 /nfs/dbraw/zinc/38/56/16/505385616.db2.gz IJMWOUVKIHILFY-VVWQDTPRSA-N 2 0 363.933 3.022 20 0 FGADRP CC[NH+]1CCN(Cc2ccc(N[C@@H]3CC[N@H+](C)[C@@H]4CCC[C@H]43)cc2)CC1 ZINC000552064161 505388221 /nfs/dbraw/zinc/38/82/21/505388221.db2.gz ZNYVNORCVWLBLB-BHDDXSALSA-N 2 0 356.558 3.109 20 0 FGADRP Cc1ccc(NC(=O)NC[C@@H]2CCC[N@@H+](C[C@H]3CC[NH2+][C@@H](C)C3)C2)cc1 ZINC000567242389 505405749 /nfs/dbraw/zinc/40/57/49/505405749.db2.gz SXXRFTVFTBMWLU-FHWLQOOXSA-N 2 0 358.530 3.217 20 0 FGADRP Cc1ncc2n1CC[C@H](C(=O)NC1CC[NH+]([C@H](C)c3ccccc3)CC1)C2 ZINC000564472374 505428857 /nfs/dbraw/zinc/42/88/57/505428857.db2.gz CQYICCIHTHFWDH-APWZRJJASA-N 2 0 366.509 3.096 20 0 FGADRP [NH3+]CC[C@@H]1CCCN(C(=O)NC[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)C1 ZINC000567337015 505434306 /nfs/dbraw/zinc/43/43/06/505434306.db2.gz LCENKUJTIZSSJO-SFTDATJTSA-N 2 0 372.557 3.059 20 0 FGADRP C[N@@H+]1CC[C@H]([NH2+]CC2CCN(C(=O)c3ccccc3)CC2)[C@H]2CCC[C@@H]21 ZINC000552246475 505439786 /nfs/dbraw/zinc/43/97/86/505439786.db2.gz VUYZBPFPAFUTOU-HKBOAZHASA-N 2 0 355.526 3.001 20 0 FGADRP C[N@@H+]1CC[C@H]([NH2+]CCc2ccc(OCC(F)(F)F)nc2)[C@@H]2CCC[C@@H]21 ZINC000552281957 505449375 /nfs/dbraw/zinc/44/93/75/505449375.db2.gz PXDQGJFURQETFQ-JYJNAYRXSA-N 2 0 357.420 3.028 20 0 FGADRP C[N@@H+]1CC[C@H]([NH2+]CCc2ccc(OCC(F)(F)F)nc2)[C@H]2CCC[C@H]21 ZINC000552281958 505449625 /nfs/dbraw/zinc/44/96/25/505449625.db2.gz PXDQGJFURQETFQ-OWCLPIDISA-N 2 0 357.420 3.028 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1CCC(=O)N[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000555539555 505451190 /nfs/dbraw/zinc/45/11/90/505451190.db2.gz MAAJJHSRJORTFA-DYXWJJEUSA-N 2 0 357.542 3.420 20 0 FGADRP C[N@@H+]1CC[C@H]([NH2+]Cc2cc(Br)cc3c2OCC3)[C@@H]2CCC[C@@H]21 ZINC000552285706 505451378 /nfs/dbraw/zinc/45/13/78/505451378.db2.gz ZKFTWURATKVPPT-ULQDDVLXSA-N 2 0 365.315 3.346 20 0 FGADRP CC(C)[C@H](NC(=O)CN1CC[C@@]2(C1)CCC[N@H+](C)C2)c1ccc(F)cc1 ZINC000555598300 505469252 /nfs/dbraw/zinc/46/92/52/505469252.db2.gz QAUVZTDTZYYSIS-SFTDATJTSA-N 2 0 361.505 3.057 20 0 FGADRP Cc1ccncc1C[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000555612021 505474789 /nfs/dbraw/zinc/47/47/89/505474789.db2.gz GSPDCEUUPFODGT-QFIPXVFZSA-N 2 0 365.521 3.408 20 0 FGADRP C[C@@H]([NH2+][C@@H](C)C(=O)N1CCCC[C@@H]1C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000561953251 505477093 /nfs/dbraw/zinc/47/70/93/505477093.db2.gz NHJNDDCAMNWKJA-YOUFYPILSA-N 2 0 357.542 3.276 20 0 FGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NCc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000552433577 505491505 /nfs/dbraw/zinc/49/15/05/505491505.db2.gz QJESKYWTOZATKH-NRFANRHFSA-N 2 0 373.541 3.039 20 0 FGADRP CC(C)[C@@H]1C[N@H+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)CCCO1 ZINC000552443884 505493653 /nfs/dbraw/zinc/49/36/53/505493653.db2.gz FIDAGTGFDDQQOE-QFIPXVFZSA-N 2 0 359.558 3.464 20 0 FGADRP CC[NH+]1CCN([C@@H](C)C[NH2+]Cc2c(Cl)cc(Cl)cc2N(C)C)CC1 ZINC000562068298 505508798 /nfs/dbraw/zinc/50/87/98/505508798.db2.gz RCTOVLTVTJSHQL-AWEZNQCLSA-N 2 0 373.372 3.175 20 0 FGADRP CCC[N@H+](CC)C[C@@H](C)NC(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000564764609 505512961 /nfs/dbraw/zinc/51/29/61/505512961.db2.gz PXNUADLYIXFGPH-UYAOXDASSA-N 2 0 360.546 3.243 20 0 FGADRP COc1ccc(Cl)cc1NC(=O)CCN1CCCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000564787849 505519942 /nfs/dbraw/zinc/51/99/42/505519942.db2.gz JZFOUJPTIYBTCO-NVXWUHKLSA-N 2 0 365.905 3.284 20 0 FGADRP C[C@@H]1C[N@@H+](Cc2ccc(-c3nc(C4([NH3+])CCCCC4)no3)cc2)C[C@H](C)O1 ZINC000567663642 505528340 /nfs/dbraw/zinc/52/83/40/505528340.db2.gz XYKONEUJJSAXEO-IYBDPMFKSA-N 2 0 370.497 3.464 20 0 FGADRP CC[NH+]1CCC(CC[NH2+]C[C@H](O)COc2ccccc2C(F)(F)F)CC1 ZINC000564855348 505540412 /nfs/dbraw/zinc/54/04/12/505540412.db2.gz WKLHGDRUUQYDKH-INIZCTEOSA-N 2 0 374.447 3.157 20 0 FGADRP CCC[N@H+](CC)Cc1ccc(C(=O)Nc2nc3c(s2)C[C@@H]([NH3+])CC3)cc1 ZINC000564933835 505561614 /nfs/dbraw/zinc/56/16/14/505561614.db2.gz VPAWKCAPJKGUJN-INIZCTEOSA-N 2 0 372.538 3.443 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)[C@@H]([NH3+])c1ccccc1C)Cc1ccccc1 ZINC000567776327 505562202 /nfs/dbraw/zinc/56/22/02/505562202.db2.gz XERYLVBEDNHYMU-CTNGQTDRSA-N 2 0 353.510 3.064 20 0 FGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000589123051 506449172 /nfs/dbraw/zinc/44/91/72/506449172.db2.gz BQPBAJITISUOJH-OAQYLSRUSA-N 2 0 357.542 3.409 20 0 FGADRP COC(=O)c1ccc(C[NH2+]CCCC[NH+]2C[C@@H](C)C[C@H](C)C2)cc1F ZINC000597047935 506749485 /nfs/dbraw/zinc/74/94/85/506749485.db2.gz SEZOCGIZQLUKHC-HOTGVXAUSA-N 2 0 350.478 3.460 20 0 FGADRP C[C@@H]([NH2+]C1(CNC(=O)N[C@@H]2CC23CC[NH2+]CC3)CCCC1)c1ccccc1 ZINC000612970744 506845073 /nfs/dbraw/zinc/84/50/73/506845073.db2.gz KLHYJERVCBOTQF-IEBWSBKVSA-N 2 0 370.541 3.091 20 0 FGADRP C[NH+]1CCC([C@H]2CCN(C(=O)[C@H](C[NH+]3CCCC3)c3ccccc3)C2)CC1 ZINC000612999904 506858743 /nfs/dbraw/zinc/85/87/43/506858743.db2.gz UMTIBDYGSGOONC-FCHUYYIVSA-N 2 0 369.553 3.056 20 0 FGADRP C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)NCCC[N@H+](C)Cc1ccccc1 ZINC000594077326 506927079 /nfs/dbraw/zinc/92/70/79/506927079.db2.gz RFJIKGDKKJOADN-OALUTQOASA-N 2 0 360.546 3.071 20 0 FGADRP C[NH+](C)CC[C@@H](NC(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C)C(C)(C)C ZINC000604788245 506942732 /nfs/dbraw/zinc/94/27/32/506942732.db2.gz NMACIIUARKTPHW-ZWKOTPCHSA-N 2 0 366.525 3.094 20 0 FGADRP Cc1ccc(OCC[N@@H+](C)C[C@@H](O)Cn2cnc3cc(C)c(C)cc32)cc1 ZINC000613340914 507040796 /nfs/dbraw/zinc/04/07/96/507040796.db2.gz CGQWSATYCPNRTH-LJQANCHMSA-N 2 0 367.493 3.333 20 0 FGADRP C[C@H](c1cccc2ccccc21)[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000590937803 507046525 /nfs/dbraw/zinc/04/65/25/507046525.db2.gz AANHOQRHBLHNFS-QGZVFWFLSA-N 2 0 353.510 3.291 20 0 FGADRP C[NH+](C)[C@H](CNC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1)c1ccsc1 ZINC000594288797 507064832 /nfs/dbraw/zinc/06/48/32/507064832.db2.gz UWGKJDBKHFMRFS-ZWKOTPCHSA-N 2 0 364.559 3.011 20 0 FGADRP CCOC(=O)C1([C@@H](C)[NH2+]CC2CCc3ccccc3CC2)CC[NH2+]CC1 ZINC000600701896 507071701 /nfs/dbraw/zinc/07/17/01/507071701.db2.gz HLLJXSPSAYCWJL-QGZVFWFLSA-N 2 0 358.526 3.093 20 0 FGADRP CCOC(=O)C1([C@H](C)[NH2+]Cc2ccccc2CC(F)(F)F)CC[NH2+]CC1 ZINC000600713491 507078324 /nfs/dbraw/zinc/07/83/24/507078324.db2.gz JJHIJZVTSSDQIY-AWEZNQCLSA-N 2 0 372.431 3.202 20 0 FGADRP C[NH2+]CCC1CC[NH+](Cc2csc(-c3ccc(C(=O)OC)cc3)n2)CC1 ZINC000583995215 507092472 /nfs/dbraw/zinc/09/24/72/507092472.db2.gz YQVVOILRZBQDJL-UHFFFAOYSA-N 2 0 373.522 3.418 20 0 FGADRP C[C@@H](CNC(=O)NCCC[N@H+](C)C1CCCCC1)[NH+](C)Cc1ccccc1 ZINC000600839454 507143594 /nfs/dbraw/zinc/14/35/94/507143594.db2.gz NRMKGGNUGVCIQW-IBGZPJMESA-N 2 0 374.573 3.461 20 0 FGADRP C[C@H](CNC(=O)N1CCN(Cc2ccccc2)C[C@H]1C)[N@@H+]1CCCC[C@@H]1C ZINC000600843745 507145323 /nfs/dbraw/zinc/14/53/23/507145323.db2.gz CANOKINFZPXUER-XUVXKRRUSA-N 2 0 372.557 3.165 20 0 FGADRP C[NH+](C)[C@@H](CNC(=O)c1ccc(Nc2cc[nH+]cc2)cc1)c1ccccc1 ZINC000605398734 507173023 /nfs/dbraw/zinc/17/30/23/507173023.db2.gz VMHIDSJJDGVBQR-NRFANRHFSA-N 2 0 360.461 3.280 20 0 FGADRP CN(CCC(=O)Nc1nc2c(s1)C[N@@H+](C(C)(C)C)CC2)c1cc[nH+]cc1 ZINC000584168920 507192453 /nfs/dbraw/zinc/19/24/53/507192453.db2.gz YLCPFLVEOPXFLD-UHFFFAOYSA-N 2 0 373.526 3.160 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccccc1OCC[NH+]1CCCC[C@H]1C ZINC000591423168 507245384 /nfs/dbraw/zinc/24/53/84/507245384.db2.gz GHFKXJSOSZHQDC-RTBURBONSA-N 2 0 373.541 3.154 20 0 FGADRP C[NH+](C)CCOc1ccc(C[NH2+]C(C)(C)C(=O)Nc2ccccc2)cc1 ZINC000594788276 507280098 /nfs/dbraw/zinc/28/00/98/507280098.db2.gz MMLPLWZKVDSOLH-UHFFFAOYSA-N 2 0 355.482 3.134 20 0 FGADRP COC(=O)CC1CC([NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000591656130 507323546 /nfs/dbraw/zinc/32/35/46/507323546.db2.gz KTELFVMBLCATCA-YCHQTSKFSA-N 2 0 356.510 3.218 20 0 FGADRP Cc1ccccc1C[C@@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)C1CC1 ZINC000584425633 507337980 /nfs/dbraw/zinc/33/79/80/507337980.db2.gz GRYNHQTWGQZQOV-JOCHJYFZSA-N 2 0 364.537 3.253 20 0 FGADRP COC(=O)CC(C)(C)C[C@H](C)[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000595064706 507375245 /nfs/dbraw/zinc/37/52/45/507375245.db2.gz AQIHLCNHBFLRKT-KRWDZBQOSA-N 2 0 361.530 3.251 20 0 FGADRP C[C@@H](NC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1)C1CC[NH+](C)CC1 ZINC000606700306 507486643 /nfs/dbraw/zinc/48/66/43/507486643.db2.gz HQDFVDPYILKTCM-RTBURBONSA-N 2 0 364.578 3.014 20 0 FGADRP C[C@H](C[NH+]1CCCCC1)NC(=O)N1CCC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000607231428 507661966 /nfs/dbraw/zinc/66/19/66/507661966.db2.gz RXGLVBMWJRBLCR-WOJBJXKFSA-N 2 0 372.557 3.167 20 0 FGADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC000607384386 507715593 /nfs/dbraw/zinc/71/55/93/507715593.db2.gz CVIURDQDFLAEPA-UWJYYQICSA-N 2 0 351.494 3.314 20 0 FGADRP C[N@H+](C[C@H](O)COc1ccc(Cl)c(Cl)c1)C[C@@H]1CCC[NH+](C)C1 ZINC000607391349 507719398 /nfs/dbraw/zinc/71/93/98/507719398.db2.gz ZTQZUNJRFXKRRP-KGLIPLIRSA-N 2 0 361.313 3.007 20 0 FGADRP O=C([C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000588101518 507762877 /nfs/dbraw/zinc/76/28/77/507762877.db2.gz CEOQEZPIINDEGO-FPOVZHCZSA-N 2 0 373.516 3.125 20 0 FGADRP O=C([C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000588101519 507763023 /nfs/dbraw/zinc/76/30/23/507763023.db2.gz CEOQEZPIINDEGO-PZJWPPBQSA-N 2 0 373.516 3.125 20 0 FGADRP CC[C@@H]1CN(C(=O)NCc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)CC[C@H]1[NH3+] ZINC000669117727 568032065 /nfs/dbraw/zinc/03/20/65/568032065.db2.gz AEYIMSTZVIGQTE-IOMROCGXSA-N 2 0 372.557 3.330 20 0 FGADRP CC[C@@H]1CN(C(=O)NCc2ccccc2C[N@@H+]2CCCC[C@H]2C)CC[C@H]1[NH3+] ZINC000669117814 568035349 /nfs/dbraw/zinc/03/53/49/568035349.db2.gz SSFUNVVIOOXMPZ-DBXWQHBBSA-N 2 0 372.557 3.330 20 0 FGADRP [NH3+]C1(CNC(=O)Nc2cccc(Cl)c2)CC[NH+](Cc2ccccc2)CC1 ZINC000623069087 568164148 /nfs/dbraw/zinc/16/41/48/568164148.db2.gz UQWUDZZOKBFWQV-UHFFFAOYSA-N 2 0 372.900 3.455 20 0 FGADRP C[NH+](C)Cc1cccc(NC(=O)NCC2([NH3+])C3CC4CC(C3)CC2C4)c1 ZINC000623071137 568234252 /nfs/dbraw/zinc/23/42/52/568234252.db2.gz AFOUWXNZWXFPFZ-UHFFFAOYSA-N 2 0 356.514 3.023 20 0 FGADRP c1cc(C[N@H+]2CCC[C@H](C[C@@H]3CCOC3)C2)ccc1CN1CCOCC1 ZINC000643251551 568333946 /nfs/dbraw/zinc/33/39/46/568333946.db2.gz OTVHXLJPXZPNIU-YADHBBJMSA-N 2 0 358.526 3.157 20 0 FGADRP Fc1ccc(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)cc1-c1nn[nH]n1 ZINC000826374681 607750950 /nfs/dbraw/zinc/75/09/50/607750950.db2.gz JDIXKNYRLLOGFU-UHFFFAOYSA-N 2 0 372.492 3.094 20 0 FGADRP CC[N@@H+]1CC[C@H]([NH+](C)CC2CCN(C(=O)OC(C)(C)C)CC2)[C@H](C)C1 ZINC000081096244 700329150 /nfs/dbraw/zinc/32/91/50/700329150.db2.gz GXMYITSHQBCNFQ-AEFFLSMTSA-N 2 0 353.551 3.296 20 0 FGADRP C[C@@H](NC(=O)NC1CCC([NH+]2CCCCC2)CC1)C(C)(C)C[NH+](C)C ZINC000085418124 700367427 /nfs/dbraw/zinc/36/74/27/700367427.db2.gz NJFFYCQERBYOHS-WWDZGPRUSA-N 2 0 352.567 3.059 20 0 FGADRP C[C@@H](NC(=[NH2+])NCCCC[NH+]1CCOCC1)c1ccc(Cl)cc1Cl ZINC000104169745 700492453 /nfs/dbraw/zinc/49/24/53/700492453.db2.gz PFGQLXJSEAGGCN-CYBMUJFWSA-N 2 0 373.328 3.071 20 0 FGADRP Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C[NH2+]CC1CC[NH+](C)CC1 ZINC000105459224 700500989 /nfs/dbraw/zinc/50/09/89/700500989.db2.gz HTSDIALHJVIPIV-UHFFFAOYSA-N 2 0 364.896 3.464 20 0 FGADRP C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCC[N@H+](CCC[NH+]2CCCCC2)C1 ZINC000161924646 705286146 /nfs/dbraw/zinc/28/61/46/705286146.db2.gz ASUILRBKHAHTAH-ZWKOTPCHSA-N 2 0 353.551 3.488 20 0 FGADRP C[C@@H]([NH2+][C@@H]1CCN(c2ccc(Br)cc2)C1)C1CC[NH+](C)CC1 ZINC000164763194 705332606 /nfs/dbraw/zinc/33/26/06/705332606.db2.gz TYJIZGMMKAOKKT-RHSMWYFYSA-N 2 0 366.347 3.348 20 0 FGADRP C[C@H]1CCC[N@H+](CCCC[NH2+]C2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000177220561 705613715 /nfs/dbraw/zinc/61/37/15/705613715.db2.gz GPVAQKNOJLUDPF-KRWDZBQOSA-N 2 0 353.551 3.488 20 0 FGADRP C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000180166869 705730816 /nfs/dbraw/zinc/73/08/16/705730816.db2.gz CBBMNHDRHSRPEG-MAUKXSAKSA-N 2 0 351.535 3.096 20 0 FGADRP CC(C)(C)OC(=O)N1CC[C@](C)(C[NH2+]C2CC[NH+](C(C)(C)C)CC2)C1 ZINC000195191781 713548496 /nfs/dbraw/zinc/54/84/96/713548496.db2.gz RDTLTKWDVXLPHR-HXUWFJFHSA-N 2 0 353.551 3.486 20 0 FGADRP C[C@H](C[NH2+][C@H](C)C[C@@H]1CCCN1C(=O)OC(C)(C)C)C[NH+]1CCCC1 ZINC000237607789 713594463 /nfs/dbraw/zinc/59/44/63/713594463.db2.gz XCSBSNKOSFVVDX-KURKYZTESA-N 2 0 353.551 3.486 20 0 FGADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]C[C@@]2(C)CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000248665516 713655951 /nfs/dbraw/zinc/65/59/51/713655951.db2.gz MFQBKHOAIGVYSE-FXAWDEMLSA-N 2 0 353.551 3.344 20 0 FGADRP C[NH+]1CCC(C[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)C3(CCC3)C2)CC1 ZINC000310857618 713801022 /nfs/dbraw/zinc/80/10/22/713801022.db2.gz UKUYIVGXPCMJKJ-KRWDZBQOSA-N 2 0 351.535 3.240 20 0 FGADRP C[C@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)c1cc(Br)cs1 ZINC000365889249 713858887 /nfs/dbraw/zinc/85/88/87/713858887.db2.gz SWHBFYNKAJAJDX-JSGCOSHPSA-N 2 0 372.376 3.330 20 0 FGADRP Cn1c(Cl)cnc1C[NH2+]CC1CC[NH+](Cc2ccccc2F)CC1 ZINC000374135519 713901641 /nfs/dbraw/zinc/90/16/41/713901641.db2.gz GLIWXDZCQLOYMD-UHFFFAOYSA-N 2 0 350.869 3.214 20 0 FGADRP C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000414927964 714005829 /nfs/dbraw/zinc/00/58/29/714005829.db2.gz PQPOXGWTENHRRY-KYOSRNDESA-N 2 0 354.292 3.026 20 0 FGADRP CCOc1cc(C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)cc(Br)c1OC ZINC000414928563 714005851 /nfs/dbraw/zinc/00/58/51/714005851.db2.gz QFZOUBHHKGCUEG-QWHCGFSZSA-N 2 0 357.292 3.216 20 0 FGADRP C[N@@H+]1CCCN(CCC[NH2+][C@H]2CCSc3c(Cl)cccc32)CC1 ZINC000482545518 714094875 /nfs/dbraw/zinc/09/48/75/714094875.db2.gz YXNCCCCKQSJUBK-KRWDZBQOSA-N 2 0 353.963 3.494 20 0 FGADRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)C1 ZINC000522603218 714195092 /nfs/dbraw/zinc/19/50/92/714195092.db2.gz PCAXNGVGJIGIRS-SJORKVTESA-N 2 0 354.583 3.163 20 0 FGADRP C[C@@H]1CCC[C@@](CNC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)([NH+](C)C)C1 ZINC000523912573 714258322 /nfs/dbraw/zinc/25/83/22/714258322.db2.gz BWUICKMDVAIBEM-MBOZVWFJSA-N 2 0 354.583 3.163 20 0 FGADRP CC[NH+](CC)CCNC(=O)NC[C@@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000642615650 717983773 /nfs/dbraw/zinc/98/37/73/717983773.db2.gz RXHCLZMNYSYSTC-KRWDZBQOSA-N 2 0 366.575 3.162 20 0 FGADRP Brc1cccc2c1OCCC[C@H]2[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000643534971 718038086 /nfs/dbraw/zinc/03/80/86/718038086.db2.gz GWOADBVABZOAHP-CABCVRRESA-N 2 0 351.288 3.395 20 0 FGADRP C[N@@H+]1CC[C@H]([NH2+]C[C@@H](c2ccccc2Cl)N2CCOCC2)CC1(C)C ZINC000623347616 715315770 /nfs/dbraw/zinc/31/57/70/715315770.db2.gz GAWPEOLFFCIQBC-LPHOPBHVSA-N 2 0 365.949 3.176 20 0 FGADRP C[N@@H+]1CC[C@H]([NH2+][C@H]2CCN(c3ccccc3Br)C2)CC1(C)C ZINC000623414996 715331287 /nfs/dbraw/zinc/33/12/87/715331287.db2.gz WVPZCSFFYPKYOB-GJZGRUSLSA-N 2 0 366.347 3.490 20 0 FGADRP C[N@@H+]1CC[C@@H]([NH2+][C@@H]2CCN(c3ccccc3OC(F)F)C2)CC1(C)C ZINC000623422995 715332986 /nfs/dbraw/zinc/33/29/86/715332986.db2.gz PFTBWVQDOKVHBP-HUUCEWRRSA-N 2 0 353.457 3.329 20 0 FGADRP COc1cc(C[NH2+]C[C@H]2CCCC[N@H+](C)C2)ccc1OCC(F)(F)F ZINC000623655916 715380178 /nfs/dbraw/zinc/38/01/78/715380178.db2.gz IORZRGYAOMFZQT-OAHLLOKOSA-N 2 0 360.420 3.458 20 0 FGADRP CCC[C@H]([NH2+][C@H]1CCN(CCN2CCOCC2)C1)c1cc(C)sc1C ZINC000623895134 715426096 /nfs/dbraw/zinc/42/60/96/715426096.db2.gz JMZHHDUBADMTIK-ICSRJNTNSA-N 2 0 365.587 3.202 20 0 FGADRP COCCOc1ccc([C@H](C)[NH2+]C[C@H]2CCCC[N@H+](C)C2)cc1OC ZINC000624121251 715477774 /nfs/dbraw/zinc/47/77/74/715477774.db2.gz RFQQIFRFBBKHSC-DLBZAZTESA-N 2 0 350.503 3.103 20 0 FGADRP C[NH+](C)C[C@H](NC(=O)NC[C@H]1CCCC[NH2+]1)c1ccc(Cl)c(Cl)c1 ZINC000627066317 715991808 /nfs/dbraw/zinc/99/18/08/715991808.db2.gz RULDIDILCSKTRA-CJNGLKHVSA-N 2 0 373.328 3.037 20 0 FGADRP C[C@@H]1CSc2ccc(Br)cc2[C@H]1[NH2+]CCOCCC[NH3+] ZINC000629536385 716304620 /nfs/dbraw/zinc/30/46/20/716304620.db2.gz GXMWSCJQPBGHMP-ABAIWWIYSA-N 2 0 359.333 3.187 20 0 FGADRP [NH3+]C[C@H]1C[N@H+](CCC(=O)Nc2cccc(Cl)c2)CC[C@H]1C(F)(F)F ZINC000629565063 716309555 /nfs/dbraw/zinc/30/95/55/716309555.db2.gz USKHWLWCXLNGCL-SMDDNHRTSA-N 2 0 363.811 3.128 20 0 FGADRP O[C@H](C[NH2+]C[C@@H]1CCN1C1CCCCC1)COCc1ccc(Cl)cc1 ZINC000629608271 716321644 /nfs/dbraw/zinc/32/16/44/716321644.db2.gz SCHPHTUOPLRWLZ-VQTJNVASSA-N 2 0 366.933 3.214 20 0 FGADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1cccc(Br)c1Cl ZINC000631114057 716567811 /nfs/dbraw/zinc/56/78/11/716567811.db2.gz PPBCOMJWIPQMPC-ZDUSSCGKSA-N 2 0 374.754 3.218 20 0 FGADRP O=S1(=O)CCC[C@@H]([NH2+]Cc2ccccc2C[NH+]2CCCCCC2)CC1 ZINC000634961643 717135848 /nfs/dbraw/zinc/13/58/48/717135848.db2.gz ZNIXNYJPZGMSGT-HXUWFJFHSA-N 2 0 364.555 3.120 20 0 FGADRP CC(C)[NH+]1CCC(N(C)C(=O)[C@@H]([NH3+])c2ccc(C(F)(F)F)cc2)CC1 ZINC000638060216 717404772 /nfs/dbraw/zinc/40/47/72/717404772.db2.gz QRDAOGVFYSIWCD-INIZCTEOSA-N 2 0 357.420 3.036 20 0 FGADRP CC(C)[NH+]1CCC(N(C)C(=O)[C@H]([NH3+])c2ccc(C(F)(F)F)cc2)CC1 ZINC000638060217 717405099 /nfs/dbraw/zinc/40/50/99/717405099.db2.gz QRDAOGVFYSIWCD-MRXNPFEDSA-N 2 0 357.420 3.036 20 0 FGADRP C[N@@H+]1CCC[C@@H](CC[NH2+]C[C@H](O)COc2ccc(Cl)c(Cl)c2)C1 ZINC000644669070 718140136 /nfs/dbraw/zinc/14/01/36/718140136.db2.gz AKZVQTJFYPGQKL-KBPBESRZSA-N 2 0 361.313 3.055 20 0 FGADRP C[N@@H+]1CCC[C@H](CC[NH2+]C[C@@H](O)COc2ccc(Cl)c(Cl)c2)C1 ZINC000644669076 718140300 /nfs/dbraw/zinc/14/03/00/718140300.db2.gz AKZVQTJFYPGQKL-ZIAGYGMSSA-N 2 0 361.313 3.055 20 0 FGADRP CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)C[C@H]1CCCC[C@@H]1[NH3+] ZINC000646254572 718273304 /nfs/dbraw/zinc/27/33/04/718273304.db2.gz JMIGYKKGCQKZRO-CABCVRRESA-N 2 0 351.457 3.017 20 0 FGADRP Clc1ccccc1Cn1cc(C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cn1 ZINC000647546148 718366928 /nfs/dbraw/zinc/36/69/28/718366928.db2.gz BDNIGOVAVBWWCL-MSOLQXFVSA-N 2 0 358.917 3.406 20 0 FGADRP Fc1ccc(CN2CCC[C@H]([NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@H]4C3)C2)c(Cl)c1 ZINC000647550166 718367185 /nfs/dbraw/zinc/36/71/85/718367185.db2.gz CYHMTBGWOMDGOE-WLWJZTKJSA-N 2 0 365.924 3.421 20 0 FGADRP CN1CC[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000647793841 718377933 /nfs/dbraw/zinc/37/79/33/718377933.db2.gz JPTSKNCSYUPOOC-QKWUAHKBSA-N 2 0 351.897 3.202 20 0 FGADRP C[N@H+](CCCC1CC[NH2+]CC1)CC(=O)Nc1ccccc1Br ZINC000647872258 718382369 /nfs/dbraw/zinc/38/23/69/718382369.db2.gz OUSNSTIENSUNJD-UHFFFAOYSA-N 2 0 368.319 3.099 20 0 FGADRP CSc1cccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC000647976585 718391349 /nfs/dbraw/zinc/39/13/49/718391349.db2.gz QKBZMBZDXCCNJF-YESZJQIVSA-N 2 0 361.555 3.447 20 0 FGADRP C[NH+](C)CCOc1ccc(C[N@H+](C)[C@H](CO)c2ccc(Cl)cc2)cc1 ZINC000648714239 718445902 /nfs/dbraw/zinc/44/59/02/718445902.db2.gz QIJXQUHEXJFVNJ-HXUWFJFHSA-N 2 0 362.901 3.446 20 0 FGADRP CC1CC[NH+](C[C@H]2CCCN(C(=O)[C@H]([NH3+])c3cccc(Cl)c3)C2)CC1 ZINC000649310901 718503244 /nfs/dbraw/zinc/50/32/44/718503244.db2.gz LLVFNEAEUTTZKF-VQIMIIECSA-N 2 0 363.933 3.310 20 0 FGADRP O=C(Nc1ccc(C[NH+]2CCCCCC2)cc1)[C@H]1C[NH2+]CCC1(F)F ZINC000649311319 718503391 /nfs/dbraw/zinc/50/33/91/718503391.db2.gz HKPSIQINHVRYEW-QGZVFWFLSA-N 2 0 351.441 3.246 20 0 FGADRP CC(C)CC[NH+]1CCC(CNC(=O)[C@@H]([NH3+])c2cccc(Cl)c2)CC1 ZINC000649346908 718506310 /nfs/dbraw/zinc/50/63/10/718506310.db2.gz WLGAMEKBEKDEDR-SFHVURJKSA-N 2 0 351.922 3.214 20 0 FGADRP FC1(F)CC12CC[NH+](CCOCC[NH+]1CCC3(CC3(F)F)CC1)CC2 ZINC000649774070 718564524 /nfs/dbraw/zinc/56/45/24/718564524.db2.gz QVXOUPPEDXCEHI-UHFFFAOYSA-N 2 0 364.427 3.245 20 0 FGADRP Cc1ccc(C[N@@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)cc1Br ZINC000650707718 718717748 /nfs/dbraw/zinc/71/77/48/718717748.db2.gz LTKMHAQGUFNNOF-JZXOWHBKSA-N 2 0 367.331 3.476 20 0 FGADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@H+](Cc3c(F)cccc3Br)C2)C1 ZINC000650708447 718718254 /nfs/dbraw/zinc/71/82/54/718718254.db2.gz ZPVVGPRVOSLIFC-XNJGSVPQSA-N 2 0 371.294 3.307 20 0 FGADRP CC[N@H+](CCCNC(=O)NCC1CC[NH+](CC)CC1)C1CCCCC1 ZINC000650815162 718731093 /nfs/dbraw/zinc/73/10/93/718731093.db2.gz KHHJRTGBICAIAO-UHFFFAOYSA-N 2 0 352.567 3.062 20 0 FGADRP C[C@H](c1nc(-c2cccs2)no1)[N@@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652347787 718934809 /nfs/dbraw/zinc/93/48/09/718934809.db2.gz LTCZYQFQHYVKST-BARDWOONSA-N 2 0 362.499 3.077 20 0 FGADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@H+](CCOc3ccc(F)cc3Cl)C2)C1 ZINC000652349451 718935331 /nfs/dbraw/zinc/93/53/31/718935331.db2.gz OYGLSVIDZIOCFS-SIIHOXLZSA-N 2 0 356.869 3.076 20 0 FGADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@@H+]2CCC(=O)Nc2ccccc2Cl)C1 ZINC000652361768 718936890 /nfs/dbraw/zinc/93/68/90/718936890.db2.gz OVAOELYFLUCJNF-ZTFGCOKTSA-N 2 0 365.905 3.029 20 0 FGADRP CO[C@H](C[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21)C(F)(F)F ZINC000781421347 724562918 /nfs/dbraw/zinc/56/29/18/724562918.db2.gz JBOUXCPAWHIXQX-BRSBDYLESA-N 2 0 356.432 3.454 20 0 FGADRP CC[NH+](CC)[C@H](CNC1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccsc1 ZINC000655688708 719326086 /nfs/dbraw/zinc/32/60/86/719326086.db2.gz BNDXBZCGZMNMMR-VQTJNVASSA-N 2 0 365.587 3.364 20 0 FGADRP CN(C)[C@H](C[NH2+]Cc1ccnn1-c1cc[nH+]cc1)c1ccccc1Cl ZINC000657290989 719619994 /nfs/dbraw/zinc/61/99/94/719619994.db2.gz XJSWVPVXYRLFIF-LJQANCHMSA-N 2 0 355.873 3.313 20 0 FGADRP c1cc(C[NH2+]CCCc2nc3c(s2)CCCC3)n(-c2cc[nH+]cc2)n1 ZINC000657344005 719630402 /nfs/dbraw/zinc/63/04/02/719630402.db2.gz STWSJSKQJUDZAK-UHFFFAOYSA-N 2 0 353.495 3.325 20 0 FGADRP COc1ccc(C[NH2+]Cc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)c(Cl)c1 ZINC000657596193 719681030 /nfs/dbraw/zinc/68/10/30/719681030.db2.gz VQOGFTOOOQAKIL-SFHVURJKSA-N 2 0 360.885 3.205 20 0 FGADRP CC(C)Cc1ncc(C[NH2+]Cc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)s1 ZINC000657597604 719681634 /nfs/dbraw/zinc/68/16/34/719681634.db2.gz VLBQHJBCSOOLNW-SFHVURJKSA-N 2 0 359.539 3.198 20 0 FGADRP Cc1nn2c(C[NH2+]CC3CC[NH+](CC4CC4)CC3)c(C(C)C)nc2s1 ZINC000657812427 719716016 /nfs/dbraw/zinc/71/60/16/719716016.db2.gz BKMVOKPWHHTTCQ-UHFFFAOYSA-N 2 0 361.559 3.434 20 0 FGADRP CC(C)[C@@H](Cc1ccc(Br)cc1)[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000657886802 719725377 /nfs/dbraw/zinc/72/53/77/719725377.db2.gz JLZJAGKIAJFVDZ-QGZVFWFLSA-N 2 0 369.347 3.063 20 0 FGADRP CC(C)CO[C@@H]1C[C@@H]([NH2+]CC2CC[NH+](C3CCOCC3)CC2)C1(C)C ZINC000658066769 719750282 /nfs/dbraw/zinc/75/02/82/719750282.db2.gz DYBBNDJSONQGRK-WOJBJXKFSA-N 2 0 352.563 3.307 20 0 FGADRP C[NH+](C)[C@H](CNC(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1)c1ccsc1 ZINC000660312049 720027476 /nfs/dbraw/zinc/02/74/76/720027476.db2.gz NQKXRSCKJDCTSN-FUHWJXTLSA-N 2 0 364.559 3.057 20 0 FGADRP Clc1ccc(O[C@H]2CCC[N@H+](C[C@@H]3CCC4(C[NH2+]C4)O3)C2)cc1Cl ZINC000662257480 720405200 /nfs/dbraw/zinc/40/52/00/720405200.db2.gz CZWRCBZHBYTPDY-GJZGRUSLSA-N 2 0 371.308 3.358 20 0 FGADRP COc1ccc(Cl)cc1C[C@H]1CCC[N@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662258315 720405897 /nfs/dbraw/zinc/40/58/97/720405897.db2.gz ZKCKSCSGPDMKMN-CRAIPNDOSA-N 2 0 364.917 3.124 20 0 FGADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@@H+]2CCSc2ccc(F)cc2F)C1 ZINC000662284222 720409837 /nfs/dbraw/zinc/40/98/37/720409837.db2.gz MDIMAQNVPYWDJV-HYVNUMGLSA-N 2 0 356.482 3.418 20 0 FGADRP O=C1[C@@H]([N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)CCN1c1ccccc1Cl ZINC000662295207 720411564 /nfs/dbraw/zinc/41/15/64/720411564.db2.gz FYTHBKYEAUEELA-APWZRJJASA-N 2 0 361.917 3.157 20 0 FGADRP CSc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)cc1 ZINC000662294681 720411580 /nfs/dbraw/zinc/41/15/80/720411580.db2.gz DRPKMKUVKDMYJL-WBVHZDCISA-N 2 0 361.555 3.447 20 0 FGADRP C[C@H](NC(=O)C[N@@H+]1CCC[C@@H](C)[C@H]1CCC[NH3+])c1ccccc1Cl ZINC000662315794 720414715 /nfs/dbraw/zinc/41/47/15/720414715.db2.gz STQZENMDXHEUAU-RVKKMQEKSA-N 2 0 351.922 3.357 20 0 FGADRP CC[C@H]([NH2+]C)C(=O)N(CCC[NH+](C)C)Cc1ccc(Cl)c(Cl)c1 ZINC000662410273 720425836 /nfs/dbraw/zinc/42/58/36/720425836.db2.gz XNBVWTSJFBJFFD-INIZCTEOSA-N 2 0 360.329 3.272 20 0 FGADRP CC[NH+](CC)CCN(Cc1ccc(Cl)cc1)C(=O)[C@H]1CC[NH2+][C@@H](C)C1 ZINC000662657006 720450553 /nfs/dbraw/zinc/45/05/53/720450553.db2.gz WCMHJZABMZBJOT-WMZOPIPTSA-N 2 0 365.949 3.399 20 0 FGADRP CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3[nH+]ccc4[nH]ccc43)CC[C@@H]21 ZINC001164837874 720511976 /nfs/dbraw/zinc/51/19/76/720511976.db2.gz QGSDXOXBJZQIFI-ZWOKBUDYSA-N 2 0 364.497 3.137 20 0 FGADRP COCCc1nc(C)c([C@H](C)[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)s1 ZINC000663467102 720517756 /nfs/dbraw/zinc/51/77/56/720517756.db2.gz CTQCHEIHSWIAHQ-YOEHRIQHSA-N 2 0 351.560 3.413 20 0 FGADRP CCN(C(=O)NC[C@H](c1ccsc1)[NH+](CC)CC)[C@H]1CC[N@H+](CC)C1 ZINC000663620732 720530782 /nfs/dbraw/zinc/53/07/82/720530782.db2.gz RLNKEVLYQLYHQL-ZWKOTPCHSA-N 2 0 366.575 3.257 20 0 FGADRP C[NH+](C)Cc1cccc(C(=O)N[C@@H](C[NH+](C)C)c2ccc(Cl)cc2)c1 ZINC000670172717 721522200 /nfs/dbraw/zinc/52/22/00/721522200.db2.gz OLZCIQCVZIZAKE-IBGZPJMESA-N 2 0 359.901 3.434 20 0 FGADRP C[C@H](CCc1ccc(F)cc1F)[NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000671747341 721612431 /nfs/dbraw/zinc/61/24/31/721612431.db2.gz JTLVPGLOXLDION-CRAIPNDOSA-N 2 0 351.485 3.044 20 0 FGADRP CCC[N@H+](CC)CCNC(=O)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000673780112 721672316 /nfs/dbraw/zinc/67/23/16/721672316.db2.gz URWUHSBQGVHBAX-UHFFFAOYSA-N 2 0 352.567 3.016 20 0 FGADRP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]C2Cc3ccccc3C2)CC1 ZINC000675921079 721779317 /nfs/dbraw/zinc/77/93/17/721779317.db2.gz VIOJNSNLFKUUAN-UHFFFAOYSA-N 2 0 355.913 3.349 20 0 FGADRP C[NH+](C)CC1CCN(c2ccc3c(n2)CC[N@@H+](Cc2ccccc2)C3)CC1 ZINC001165042927 721944370 /nfs/dbraw/zinc/94/43/70/721944370.db2.gz ZHTMINKMDYGDKY-UHFFFAOYSA-N 2 0 364.537 3.418 20 0 FGADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H]2C[C@H]3CC[C@@H]([C@H]2C)N3C(=O)OC(C)(C)C)C1 ZINC000709293977 722412949 /nfs/dbraw/zinc/41/29/49/722412949.db2.gz XDKQWEBRQQFONT-PNKHAZJDSA-N 2 0 351.535 3.094 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)/C=C/Sc1ccccc1 ZINC000750735136 722779420 /nfs/dbraw/zinc/77/94/20/722779420.db2.gz TXRYYUPQIHLPDC-FXFXYLOPSA-N 2 0 361.555 3.167 20 0 FGADRP C[C@@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)c1cc(Cl)c(N)c(Cl)c1 ZINC000760161749 723040573 /nfs/dbraw/zinc/04/05/73/723040573.db2.gz ZXKSYLDIXKUYBA-CYBMUJFWSA-N 2 0 373.372 3.500 20 0 FGADRP CCC[NH+]1CCC(C[NH2+][C@@H](C)c2ccc(S(=O)(=O)C(F)F)cc2)CC1 ZINC000765769116 723539727 /nfs/dbraw/zinc/53/97/27/723539727.db2.gz RGAKEHKHQMWVKJ-AWEZNQCLSA-N 2 0 374.497 3.456 20 0 FGADRP CCC[N@@H+]1CC[C@@H](C[NH2+]C2CCC(CNC(=O)OC(C)(C)C)CC2)C1 ZINC000796274776 723629567 /nfs/dbraw/zinc/62/95/67/723629567.db2.gz AECARAWQMGHBPP-ADKAHSJRSA-N 2 0 353.551 3.391 20 0 FGADRP COCOc1ccc(OC)cc1C[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000768926223 723672337 /nfs/dbraw/zinc/67/23/37/723672337.db2.gz KAQNGEHHQLUFSF-UHFFFAOYSA-N 2 0 350.503 3.230 20 0 FGADRP C[N@H+](CCC1CCN(C(=O)OC(C)(C)C)CC1)CC1CC[NH+](C)CC1 ZINC000769330953 723682611 /nfs/dbraw/zinc/68/26/11/723682611.db2.gz SUMXPUBWBHPNCH-UHFFFAOYSA-N 2 0 353.551 3.297 20 0 FGADRP CC[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)C[C@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000772875169 723770330 /nfs/dbraw/zinc/77/03/30/723770330.db2.gz LGFRWSHOGQWTHW-RCCFBDPRSA-N 2 0 353.551 3.486 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+][C@H]2CCC[C@H]2NC(=O)OC(C)(C)C)C1 ZINC000775621016 724011747 /nfs/dbraw/zinc/01/17/47/724011747.db2.gz GXHMXTGEHRMGDC-XWTMOSNGSA-N 2 0 353.551 3.390 20 0 FGADRP CC[NH+](CC)Cc1cc([C@@H](C)[NH2+]CC2([S@@](C)=O)CC2)ccc1OC ZINC000799728815 724088327 /nfs/dbraw/zinc/08/83/27/724088327.db2.gz NJLURDYYBAEOPM-OYLFLEFRSA-N 2 0 352.544 3.099 20 0 FGADRP C[C@H](CC[NH2+]C1CC2(C1)CN(C(=O)OC(C)(C)C)C2)[NH+]1CCCCC1 ZINC000788740758 725084768 /nfs/dbraw/zinc/08/47/68/725084768.db2.gz QRCOLXVVAYWHLX-MRXNPFEDSA-N 2 0 351.535 3.240 20 0 FGADRP CC[N@H+](CCC[NH+]1CCCC1)CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000809750024 725264809 /nfs/dbraw/zinc/26/48/09/725264809.db2.gz PBCGXNLGCGZHDC-UHFFFAOYSA-N 2 0 353.551 3.441 20 0 FGADRP CC[N@H+](CCC[NH+]1CCCC1)C[C@]1(C)CCN(C(=O)OC(C)(C)C)C1 ZINC000809749751 725264901 /nfs/dbraw/zinc/26/49/01/725264901.db2.gz JWZVPWOGPDXTTL-FQEVSTJZSA-N 2 0 353.551 3.441 20 0 FGADRP CSC1(C[NH2+]C2CCC(NC(=O)OC(C)(C)C)CC2)CC[NH+](C)CC1 ZINC000810170077 725294396 /nfs/dbraw/zinc/29/43/96/725294396.db2.gz FVNXFZPLVLHFRO-UHFFFAOYSA-N 2 0 371.591 3.239 20 0 FGADRP CC(C)C[C@H](C[N@@H+]1CCCC12CC[NH+](C)CC2)NC(=O)OC(C)(C)C ZINC000811494584 725369477 /nfs/dbraw/zinc/36/94/77/725369477.db2.gz YAODGOJIPFXZLB-QGZVFWFLSA-N 2 0 353.551 3.486 20 0 FGADRP CSC1(C[NH2+]C[C@]2(C)CCN(C(=O)OC(C)(C)C)C2)CC[NH+](C)CC1 ZINC000811513503 725371524 /nfs/dbraw/zinc/37/15/24/725371524.db2.gz IWFASCZTJSBROH-SFHVURJKSA-N 2 0 371.591 3.051 20 0 FGADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC2(CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000814645083 726989497 /nfs/dbraw/zinc/98/94/97/726989497.db2.gz OIGNEVMUBUVXSR-KRWDZBQOSA-N 2 0 351.535 3.194 20 0 FGADRP CCOC(=O)C1([C@H](C)[NH2+][C@H](C)Cc2ccccc2Cl)CC[NH2+]CC1 ZINC000817908011 727287739 /nfs/dbraw/zinc/28/77/39/727287739.db2.gz LFQCYSNCWPGUHQ-CABCVRRESA-N 2 0 352.906 3.182 20 0 FGADRP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@@H]2[NH2+][C@@H]1CC[C@H]2SCCS[C@@H]12 ZINC000817917153 727287841 /nfs/dbraw/zinc/28/78/41/727287841.db2.gz NYUISXMJOICKPD-XWCCPHMRSA-N 2 0 362.564 3.212 20 0 FGADRP C[NH+](C)CC[C@@H]([NH2+]C[C@H](O)c1cccc(Br)c1)C(C)(C)C ZINC000819083242 727345966 /nfs/dbraw/zinc/34/59/66/727345966.db2.gz YJVBTXKJASAUOH-JKSUJKDBSA-N 2 0 357.336 3.439 20 0 FGADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]C[C@@H](O)c2cccc(Br)c2)C1 ZINC000819183168 727355548 /nfs/dbraw/zinc/35/55/48/727355548.db2.gz UMLISUFMPWNKEB-CRAIPNDOSA-N 2 0 369.347 3.440 20 0 FGADRP C[C@@H]1C[C@@H](C[N@H+](C)C[C@@H]2CCC[NH+](C)C2)CCN1C(=O)OC(C)(C)C ZINC000823409282 729277456 /nfs/dbraw/zinc/27/74/56/729277456.db2.gz WVDKYUJXTDSDKH-FGTMMUONSA-N 2 0 353.551 3.296 20 0 FGADRP C[C@@H]1C[C@H](C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)CCN1C(=O)OC(C)(C)C ZINC000824428551 729337649 /nfs/dbraw/zinc/33/76/49/729337649.db2.gz TXBRQKUDCBQSPK-MBOZVWFJSA-N 2 0 351.535 3.050 20 0 FGADRP C[C@H]([NH2+]C1CC[NH+](CC2CC2)CC1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000834519398 729809605 /nfs/dbraw/zinc/80/96/05/729809605.db2.gz TYUUJJZTJSMEFF-MAUKXSAKSA-N 2 0 351.535 3.238 20 0 FGADRP C[NH+]1CCC(N2CCC([NH2+][C@@H]3C[C@@H](OC(C)(C)C)C3(C)C)CC2)CC1 ZINC000840718868 730165697 /nfs/dbraw/zinc/16/56/97/730165697.db2.gz GMASYGMIADFQEO-RTBURBONSA-N 2 0 351.579 3.117 20 0 FGADRP CC[C@@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000840810343 730177594 /nfs/dbraw/zinc/17/75/94/730177594.db2.gz RWAWHJQBEIXLAU-KZNAEPCWSA-N 2 0 353.551 3.486 20 0 FGADRP [NH3+]CCCCCCC[N@@H+]1CCCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000842472130 730506784 /nfs/dbraw/zinc/50/67/84/730506784.db2.gz RUSUKAZIGJTFBE-UHFFFAOYSA-N 2 0 351.922 3.397 20 0 FGADRP [NH3+]CCCCCC[NH2+]Cc1cnn(-c2ccc(Br)cc2)c1 ZINC000843127690 730589225 /nfs/dbraw/zinc/58/92/25/730589225.db2.gz GGMPPEZLWLGMQN-UHFFFAOYSA-N 2 0 351.292 3.244 20 0 FGADRP C[NH+](C)Cc1ccc(NC(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)cc1F ZINC000847547534 731063765 /nfs/dbraw/zinc/06/37/65/731063765.db2.gz WJKSQOPJEFTHLF-QGZVFWFLSA-N 2 0 365.518 3.043 20 0 FGADRP Cc1nn(C)c2nc(Cl)c(C[NH+]3CCC([C@@H]4CCC[NH2+]C4)CC3)cc12 ZINC000849350848 731251459 /nfs/dbraw/zinc/25/14/59/731251459.db2.gz YQXLWNMQEWDVLX-OAHLLOKOSA-N 2 0 361.921 3.142 20 0 FGADRP COc1ccc(Cl)cc1C[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000850344594 731344875 /nfs/dbraw/zinc/34/48/75/731344875.db2.gz ODSOUIGILBEBCI-UHFFFAOYSA-N 2 0 352.906 3.329 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@]12OCCC[C@H]1C2(F)F ZINC000850534304 731369989 /nfs/dbraw/zinc/36/99/89/731369989.db2.gz LJASAKXJZBJTKH-OWYHZJEWSA-N 2 0 350.453 3.301 20 0 FGADRP C[NH+]1CCC2(CCC[N@H+](CC[C@@H]3Sc4ccccc4NC3=O)C2)CC1 ZINC000852009110 731532035 /nfs/dbraw/zinc/53/20/35/731532035.db2.gz YRANGKITZPBJML-SFHVURJKSA-N 2 0 359.539 3.297 20 0 FGADRP C[N@@H+]1CC[C@H]([NH2+][C@H]2C[C@H](NC(=O)OC(C)(C)C)C23CCC3)CC1(C)C ZINC000858183358 732190292 /nfs/dbraw/zinc/19/02/92/732190292.db2.gz CTHPKMVGLSJHCX-JYJNAYRXSA-N 2 0 351.535 3.285 20 0 FGADRP C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)CN1C(=O)OC(C)(C)C ZINC000858532292 732224773 /nfs/dbraw/zinc/22/47/73/732224773.db2.gz LZXNBDHODGPBKT-DISONHOPSA-N 2 0 351.535 3.237 20 0 FGADRP CCC[NH+]1CCC([NH2+]C[C@H](CC(F)(F)F)NC(=O)OC(C)(C)C)CC1 ZINC000865404627 733192784 /nfs/dbraw/zinc/19/27/84/733192784.db2.gz OKTOGRVZHRIRFU-AWEZNQCLSA-N 2 0 367.456 3.296 20 0 FGADRP CC(C)(C)OC(=O)N[C@@H](C[NH2+]C[C@H]1CCN1C1CCCC1)CC(F)F ZINC000865643789 733244128 /nfs/dbraw/zinc/24/41/28/733244128.db2.gz RTBRSUULLSMDIM-UKRRQHHQSA-N 2 0 361.477 3.141 20 0 FGADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]C[C@@H]3CC4(CO3)CCOCC4)CC2)C1 ZINC000866532425 733362024 /nfs/dbraw/zinc/36/20/24/733362024.db2.gz LNEXXMCUUWTNHU-HOJAQTOUSA-N 2 0 350.547 3.205 20 0 FGADRP [NH3+][C@H](C[C@H]1CCC[N@H+](C[C@@H]2CC3(CO2)CCOCC3)C1)C1CCCC1 ZINC000872157711 735596906 /nfs/dbraw/zinc/59/69/06/735596906.db2.gz PUXNJXAWCHRGSE-YZGWKJHDSA-N 2 0 350.547 3.192 20 0 FGADRP C[NH+](C)C1(C)CCC([NH2+]C[C@@H](O)c2ccc(F)c(Br)c2)CC1 ZINC000872228195 735605315 /nfs/dbraw/zinc/60/53/15/735605315.db2.gz GCQMBMWBAWZZNP-BLDCVEFLSA-N 2 0 373.310 3.474 20 0 FGADRP C[C@@H](NC(=O)N1CCC(C)([NH+]2CCCCC2)CC1)C(C)(C)C[NH+](C)C ZINC000872932102 735697669 /nfs/dbraw/zinc/69/76/69/735697669.db2.gz LEFQHBMRTKFHMW-QGZVFWFLSA-N 2 0 352.567 3.013 20 0 FGADRP FC(F)(F)COc1cc(C[NH2+]Cc2cc3c(s2)CC[NH2+]C3)ccn1 ZINC000873211845 735738604 /nfs/dbraw/zinc/73/86/04/735738604.db2.gz FGEGGZJRXGHDIV-UHFFFAOYSA-N 2 0 357.401 3.020 20 0 FGADRP CCOC(=O)c1sc(C2CC[NH+](C[C@H]3CC[NH2+][C@@H](C)C3)CC2)nc1C ZINC000873222997 735739782 /nfs/dbraw/zinc/73/97/82/735739782.db2.gz JBNXUBMLIVOLEP-ZFWWWQNUSA-N 2 0 365.543 3.196 20 0 FGADRP CSc1ccc([C@@H](C)[NH2+]Cc2cccc(-n3cc(C[NH3+])nn3)c2)cc1 ZINC000873247717 735743811 /nfs/dbraw/zinc/74/38/11/735743811.db2.gz SKIYSJPRAJIEEH-CQSZACIVSA-N 2 0 353.495 3.299 20 0 FGADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1cc2nc(Cl)ccc2s1 ZINC000877405115 736216027 /nfs/dbraw/zinc/21/60/27/736216027.db2.gz IJGDZUMRYCZZGQ-CYBMUJFWSA-N 2 0 352.935 3.065 20 0 FGADRP C[NH+](C)C[C@@H]1CN(Cc2cnc(-c3cccs3)s2)C[C@H]1C[NH+](C)C ZINC000877669760 736701906 /nfs/dbraw/zinc/70/19/06/736701906.db2.gz YCZRNGJJICNCDI-HUUCEWRRSA-N 2 0 364.584 3.043 20 0 FGADRP CCc1ccc(NC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)cc1Cl ZINC000879549302 737004477 /nfs/dbraw/zinc/00/44/77/737004477.db2.gz OARVLISGSVXGFD-HZPDHXFCSA-N 2 0 366.937 3.106 20 0 FGADRP CC[NH+]1CCN(Cc2ccc(C[NH2+]Cc3ccc(Cl)cn3)cc2)CC1 ZINC000885923953 739199760 /nfs/dbraw/zinc/19/97/60/739199760.db2.gz FXVPCSXXIGHWCS-UHFFFAOYSA-N 2 0 358.917 3.162 20 0 FGADRP CC[NH+]1CCN(Cc2ccccc2C[NH2+]Cc2ccc(Cl)cn2)CC1 ZINC000885924270 739200056 /nfs/dbraw/zinc/20/00/56/739200056.db2.gz LWPLISWDAQTKTK-UHFFFAOYSA-N 2 0 358.917 3.162 20 0 FGADRP O[C@@H]1[C@@H]([NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)CCCC1(F)F ZINC000886626485 739277379 /nfs/dbraw/zinc/27/73/79/739277379.db2.gz CQCXRLYSFDHKHG-VPAKFMSCSA-N 2 0 350.453 3.178 20 0 FGADRP CCC1([NH3+])CCN(C(=O)NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)CC1 ZINC000891596469 739919318 /nfs/dbraw/zinc/91/93/18/739919318.db2.gz CGRKYKXJEGOWFA-RDJZCZTQSA-N 2 0 364.559 3.044 20 0 FGADRP C[NH+]1CCC(C[NH2+]C[C@@H]2CCN(c3ccc(Br)cc3)C2)CC1 ZINC000892662296 740028829 /nfs/dbraw/zinc/02/88/29/740028829.db2.gz HVTHPXHXFIIPAB-INIZCTEOSA-N 2 0 366.347 3.207 20 0 FGADRP C[C@@H]1C[N@H+](Cc2cc3c(cccc3O)s2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000894076962 742235373 /nfs/dbraw/zinc/23/53/73/742235373.db2.gz REYFHSSWWLMLOM-QAPCUYQASA-N 2 0 359.539 3.065 20 0 FGADRP C[C@H]1C[N@H+](Cc2cc3c(cccc3O)s2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000894076961 742235470 /nfs/dbraw/zinc/23/54/70/742235470.db2.gz REYFHSSWWLMLOM-MAUKXSAKSA-N 2 0 359.539 3.065 20 0 FGADRP CC[NH+]1CCN([C@H](C)C[NH2+]Cc2cc3ccnc(Cl)c3s2)CC1 ZINC000894176445 742248925 /nfs/dbraw/zinc/24/89/25/742248925.db2.gz SMCMWRNGFJQMHO-CYBMUJFWSA-N 2 0 352.935 3.065 20 0 FGADRP OC1(CC[NH2+]C[C@@H]2CC2(Cl)Cl)CC[NH+](Cc2ccccc2)CC1 ZINC000895647809 742436835 /nfs/dbraw/zinc/43/68/35/742436835.db2.gz MEMRCRLYRFXJTK-INIZCTEOSA-N 2 0 357.325 3.187 20 0 FGADRP CC(C)(C)[NH+]1CCC([NH2+]CC2(OCCO)CCC(C(F)F)CC2)CC1 ZINC000897541853 742687667 /nfs/dbraw/zinc/68/76/67/742687667.db2.gz YRCKFRXSPDREHN-UHFFFAOYSA-N 2 0 362.505 3.042 20 0 FGADRP [NH3+]CCCC[C@H]([NH2+][C@@H]1CCN(CC(F)(F)F)C1)c1ccc(F)cc1F ZINC000902334468 743733474 /nfs/dbraw/zinc/73/34/74/743733474.db2.gz FLJXXNYOODTBCI-CJNGLKHVSA-N 2 0 365.390 3.361 20 0 FGADRP CS(=O)(=O)C1(C[NH2+][C@@H](CCCC[NH3+])c2ccc(F)cc2F)CCCC1 ZINC000902382824 743739326 /nfs/dbraw/zinc/73/93/26/743739326.db2.gz BXSFRJMPBLZBMD-KRWDZBQOSA-N 2 0 374.497 3.082 20 0 FGADRP FC(F)(F)c1cccc([C@@H]2CC[N@H+](C[C@@H]3C[C@]4(CC[NH2+]C4)CO3)C2)c1 ZINC000903756612 743880947 /nfs/dbraw/zinc/88/09/47/743880947.db2.gz UDQQIPXDIVBOCW-NJAFHUGGSA-N 2 0 354.416 3.263 20 0 FGADRP Cc1c(C[C@H](C[NH3+])C[N@H+]2CCS[C@@H](C)[C@@H]2c2ccccc2)cnn1C ZINC000903894584 743893482 /nfs/dbraw/zinc/89/34/82/743893482.db2.gz ACTNNKBQHXJWPU-SQGPQFPESA-N 2 0 358.555 3.025 20 0 FGADRP CC1([NH+]2CCC2)CCC([NH2+]C[C@@H](O)COc2ccc(Cl)cc2)CC1 ZINC000905603381 744035886 /nfs/dbraw/zinc/03/58/86/744035886.db2.gz ZMYIUSDSIGQLLB-TVRKMHQQSA-N 2 0 352.906 3.076 20 0 FGADRP CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3nc(C(C)(C)C)cs3)C2)[C@@H]1C(C)C ZINC000922391832 758911465 /nfs/dbraw/zinc/91/14/65/758911465.db2.gz ACUAGDYWBZRLIF-OHRYMORCSA-N 2 0 365.587 3.400 20 0 FGADRP O[C@@H](C[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1)c1ccc(Cl)cc1Cl ZINC000923408226 759112924 /nfs/dbraw/zinc/11/29/24/759112924.db2.gz BLWHRXYEPGTAEE-QAPCUYQASA-N 2 0 373.324 3.117 20 0 FGADRP COc1ccc(-c2nc(C[N@@H+]3CC[C@H](C[NH3+])[C@H](C)C3)cs2)c(OC)c1 ZINC000923501990 759133606 /nfs/dbraw/zinc/13/36/06/759133606.db2.gz VDDTWMRACXXBFG-ZIAGYGMSSA-N 2 0 361.511 3.244 20 0 FGADRP C[NH+]1CCN(CCC[NH2+][C@@H](Cc2ccccc2Cl)c2ccoc2)CC1 ZINC000924577780 759357027 /nfs/dbraw/zinc/35/70/27/759357027.db2.gz IBRNXCIISHUHEJ-FQEVSTJZSA-N 2 0 361.917 3.444 20 0 FGADRP C[NH+]1CCN(CCC[NH2+][C@H](Cc2ccccc2Cl)c2ccoc2)CC1 ZINC000924577784 759357076 /nfs/dbraw/zinc/35/70/76/759357076.db2.gz IBRNXCIISHUHEJ-HXUWFJFHSA-N 2 0 361.917 3.444 20 0 FGADRP C[C@H](C[C@H]1CCC(=O)N1)[NH2+]CC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000924993654 759428359 /nfs/dbraw/zinc/42/83/59/759428359.db2.gz QNPPXAOIHHAGJN-CRAIPNDOSA-N 2 0 363.933 3.199 20 0 FGADRP [NH3+][C@H]1C[C@H]2COC[C@@H](C1)[C@H]2[NH2+]CC/C=C/c1ccc(Br)cc1 ZINC000925722918 759525855 /nfs/dbraw/zinc/52/58/55/759525855.db2.gz LJOQCLJEACNAQI-UMQOICHRSA-N 2 0 365.315 3.194 20 0 FGADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]Cc1cc(Br)c2ccccc2c1 ZINC000925807484 759547021 /nfs/dbraw/zinc/54/70/21/759547021.db2.gz VGYSPYCNVPLRSA-ULFGMLNVSA-N 2 0 363.299 3.444 20 0 FGADRP [NH3+]C1CCN(CC[NH2+][C@H]2CCCc3nc(-c4ccccc4)sc32)CC1 ZINC000925811764 759548076 /nfs/dbraw/zinc/54/80/76/759548076.db2.gz RQQWYBFRWORQJI-KRWDZBQOSA-N 2 0 356.539 3.200 20 0 FGADRP C[C@H]([NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1cc(Cl)sc1Cl ZINC000925857368 759561435 /nfs/dbraw/zinc/56/14/35/759561435.db2.gz VBLXTMIEFHJKBA-UWVGGRQHSA-N 2 0 363.310 3.391 20 0 FGADRP C[C@H]([NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1cc2cc(Cl)ccc2o1 ZINC000925857564 759561443 /nfs/dbraw/zinc/56/14/43/759561443.db2.gz PNRZWJBFUWWLGX-WFASDCNBSA-N 2 0 362.857 3.422 20 0 FGADRP CCC1([NH+](C)C)CC[NH+](C[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC000931473005 760870123 /nfs/dbraw/zinc/87/01/23/760870123.db2.gz ZQPDFNAQVZNKHC-SJORKVTESA-N 2 0 353.551 3.486 20 0 FGADRP CSCC1CC[NH+](CC2(C[NH+]3CCC(CSC)CC3)COC2)CC1 ZINC000932586843 761194417 /nfs/dbraw/zinc/19/44/17/761194417.db2.gz BTYDVYYENFGKLS-UHFFFAOYSA-N 2 0 372.644 3.153 20 0 FGADRP CC[C@@H]1[C@@H](C(=O)N2CCC([NH2+]Cc3ccc(Cl)s3)CC2)CC[N@@H+]1C ZINC000996604539 765020871 /nfs/dbraw/zinc/02/08/71/765020871.db2.gz ULCRFEFKGJQYBX-JKSUJKDBSA-N 2 0 369.962 3.212 20 0 FGADRP Cc1cc(C[NH2+]C[C@H]2CCCCN2C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c(C)s1 ZINC001024966915 766064283 /nfs/dbraw/zinc/06/42/83/766064283.db2.gz GLPAMDBSXJJQRC-ATZDWAIDSA-N 2 0 363.571 3.176 20 0 FGADRP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]([NH+](C)Cc3ccccc3Cl)C2)CC[N@@H+]1C ZINC001027416815 766093353 /nfs/dbraw/zinc/09/33/53/766093353.db2.gz MGVVPHMOIXSUNH-KBAYOESNSA-N 2 0 363.933 3.103 20 0 FGADRP CC[C@@H]1[C@@H](C(=O)N2CCC([C@H]3CC[NH+](C/C=C/Cl)C3)CC2)CC[N@@H+]1C ZINC001039133482 766292648 /nfs/dbraw/zinc/29/26/48/766292648.db2.gz SZBCUKCRMWYARK-MBTHWUOESA-N 2 0 367.965 3.030 20 0 FGADRP C[C@H]1CCc2sc(C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)cc2C1 ZINC000071798312 205447723 /nfs/dbraw/zinc/44/77/23/205447723.db2.gz IVTYRFBEONLZCF-INIZCTEOSA-N 2 0 365.587 3.219 20 0 FGADRP CCc1ccc(C[NH+]2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)cc1 ZINC000172984098 206283291 /nfs/dbraw/zinc/28/32/91/206283291.db2.gz SGPZJOQDOKMCDO-UHFFFAOYSA-N 2 0 359.558 3.165 20 0 FGADRP CC[NH+]1CCN(c2ccc(C[NH2+]C/C(C)=C/c3ccccc3)cn2)CC1 ZINC000102422811 257350903 /nfs/dbraw/zinc/35/09/03/257350903.db2.gz DAWJCVXANYTEFQ-XDJHFCHBSA-N 2 0 350.510 3.417 20 0 FGADRP C[N@@H+]1CC[C@@H](CNc2cc[nH+]cc2C(N)=O)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000302145616 257385475 /nfs/dbraw/zinc/38/54/75/257385475.db2.gz JBVYGVDKPPBAKX-SJCJKPOMSA-N 2 0 362.836 3.078 20 0 FGADRP COCC[NH+](CCOC)C1CCN(c2c(C)c(C)[nH+]c3ccccc32)CC1 ZINC000573587491 505573119 /nfs/dbraw/zinc/57/31/19/505573119.db2.gz PZZNUQMSFDURCN-UHFFFAOYSA-N 2 0 371.525 3.415 20 0 FGADRP Cc1cc(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)ccn1 ZINC000527713301 503909202 /nfs/dbraw/zinc/90/92/02/503909202.db2.gz RKFYRQUOSQKDBM-QFIPXVFZSA-N 2 0 365.521 3.408 20 0 FGADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@@H](CO)Cc1ccccc1C(F)(F)F ZINC000536848643 503739891 /nfs/dbraw/zinc/73/98/91/503739891.db2.gz ZEEPHVXBNWQLDN-ZXFNITATSA-N 2 0 358.448 3.175 20 0 FGADRP CCc1ccc([C@H](C)NC(=O)[C@@H](C)[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000573609095 505577325 /nfs/dbraw/zinc/57/73/25/505577325.db2.gz SUUKTLNJTRQMFY-CSODHUTKSA-N 2 0 357.542 3.136 20 0 FGADRP CC[C@H](CNC(=O)c1ccccc1CC[NH2+]C)[N@@H+]1CCc2ccccc2C1 ZINC000567972653 505587201 /nfs/dbraw/zinc/58/72/01/505587201.db2.gz DNCIJYDJAGZIHT-OAQYLSRUSA-N 2 0 365.521 3.015 20 0 FGADRP C[C@@H]([NH2+][C@H]1COc2ccccc2C1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000579619890 505588672 /nfs/dbraw/zinc/58/86/72/505588672.db2.gz ILHHIPDQFXOOGE-VQIMIIECSA-N 2 0 369.484 3.232 20 0 FGADRP C[N@@H+]1CCC[C@H](CNC(=O)NCc2ccc(C[NH3+])cc2)[C@@H]1c1cccs1 ZINC000570839868 505592477 /nfs/dbraw/zinc/59/24/77/505592477.db2.gz PEQUILKREUUNQL-IEBWSBKVSA-N 2 0 372.538 3.089 20 0 FGADRP Cc1nsc(C)c1C[NH+]1CCC(CC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000579669324 505598116 /nfs/dbraw/zinc/59/81/16/505598116.db2.gz ZAWUKSYNSVSPTC-GJZGRUSLSA-N 2 0 351.560 3.471 20 0 FGADRP COC(=O)c1cc(C[NH2+]Cc2ccc(C[NH+]3CCCCCC3)cc2)cn1C ZINC000579723858 505609935 /nfs/dbraw/zinc/60/99/35/505609935.db2.gz BKVIZQZKQQGDLG-UHFFFAOYSA-N 2 0 369.509 3.478 20 0 FGADRP COc1ccc(NC(=O)[C@@H](c2ccccc2)[NH+]2CCC([C@@H](C)[NH3+])CC2)cc1 ZINC000570928473 505613743 /nfs/dbraw/zinc/61/37/43/505613743.db2.gz FYZHUYYNHNSWJE-IIBYNOLFSA-N 2 0 367.493 3.434 20 0 FGADRP C[C@@H](CCCC[NH3+])NC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000570938494 505616603 /nfs/dbraw/zinc/61/66/03/505616603.db2.gz DPLJMPQXXGAYFD-YJBOKZPZSA-N 2 0 366.937 3.294 20 0 FGADRP C[C@H]1C[C@H](N(C)C(=O)C[NH+]2CCC(C)(C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000568200867 505642399 /nfs/dbraw/zinc/64/23/99/505642399.db2.gz BOWNDHMLRKRLOD-AZUAARDMSA-N 2 0 357.542 3.230 20 0 FGADRP CC(C)[NH2+]CCCNC(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000568232977 505649275 /nfs/dbraw/zinc/64/92/75/505649275.db2.gz YPENEVSGUYBEOG-JOCHJYFZSA-N 2 0 372.557 3.072 20 0 FGADRP CC[NH+](CC)CCN(Cc1cccs1)C(=O)C[C@H]1CCCC[C@H]1[NH3+] ZINC000571082349 505648852 /nfs/dbraw/zinc/64/88/52/505648852.db2.gz NJBCLEZWXFMZGK-SJLPKXTDSA-N 2 0 351.560 3.326 20 0 FGADRP CC[NH+](CC)CCN(Cc1cccs1)C(=O)C[C@@H]1CCCC[C@@H]1[NH3+] ZINC000571082350 505649174 /nfs/dbraw/zinc/64/91/74/505649174.db2.gz NJBCLEZWXFMZGK-WMZOPIPTSA-N 2 0 351.560 3.326 20 0 FGADRP Cc1c(Br)cccc1C[NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000568247577 505651804 /nfs/dbraw/zinc/65/18/04/505651804.db2.gz QNYPIBOWUTXEAD-HYVNUMGLSA-N 2 0 353.304 3.004 20 0 FGADRP CCCN(Cc1ccc(C)cc1)C(=O)CN1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000579979255 505655965 /nfs/dbraw/zinc/65/59/65/505655965.db2.gz DFKAJYMEPPVZBP-QFIPXVFZSA-N 2 0 357.542 3.151 20 0 FGADRP Cc1nn(-c2cc[nH+]cc2)cc1CN(Cc1ccco1)C1CC[NH+](C)CC1 ZINC000573962339 505661593 /nfs/dbraw/zinc/66/15/93/505661593.db2.gz YFJYHSNAHHYMCS-UHFFFAOYSA-N 2 0 365.481 3.265 20 0 FGADRP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(OC)c(O)c(OC)c1 ZINC000574001727 505670336 /nfs/dbraw/zinc/67/03/36/505670336.db2.gz KUKZVGAPKMFIDZ-DLBZAZTESA-N 2 0 350.503 3.400 20 0 FGADRP COC[C@@H](O)C[NH2+]Cc1ccccc1-c1ccc(C[NH+]2CCCC2)cc1 ZINC000571198510 505677644 /nfs/dbraw/zinc/67/76/44/505677644.db2.gz MYJWKUMFDBGWCR-NRFANRHFSA-N 2 0 354.494 3.046 20 0 FGADRP CC[C@H](Cc1ccc(C)cc1)[N@H+](CC)CC(=O)NC1CC[NH+](CC)CC1 ZINC000075885787 493790555 /nfs/dbraw/zinc/79/05/55/493790555.db2.gz BXVTXVHBINLGTJ-OAQYLSRUSA-N 2 0 359.558 3.239 20 0 FGADRP C[N@@H+](Cc1ccccc1)CC1CC[NH+](CCC(=O)NC2CCCC2)CC1 ZINC000057844252 493807234 /nfs/dbraw/zinc/80/72/34/493807234.db2.gz CJHDRLWDIWSYKA-UHFFFAOYSA-N 2 0 357.542 3.279 20 0 FGADRP C[C@H](CC[NH+](C)C)NC(=O)NCc1ccccc1C[NH+]1CCC(C)CC1 ZINC000068597360 493846205 /nfs/dbraw/zinc/84/62/05/493846205.db2.gz XQCRXUABVGPXJG-GOSISDBHSA-N 2 0 360.546 3.058 20 0 FGADRP COc1ccc(C[NH2+]Cc2ccccc2C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1O ZINC000048816626 493847271 /nfs/dbraw/zinc/84/72/71/493847271.db2.gz WZBJBXLQPDTEHH-IRXDYDNUSA-N 2 0 370.493 3.300 20 0 FGADRP C[NH+](C)Cc1ccc(CNC(=O)NC2CC[NH+](CC3CCCC3)CC2)cc1 ZINC000068887214 493889682 /nfs/dbraw/zinc/88/96/82/493889682.db2.gz DWHLGEFNOYTJSZ-UHFFFAOYSA-N 2 0 372.557 3.202 20 0 FGADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@@H]1C[C@@H]1c1cccc(Cl)c1 ZINC000049993816 493890055 /nfs/dbraw/zinc/89/00/55/493890055.db2.gz PRALUPUWSJBIPM-RTBURBONSA-N 2 0 365.949 3.176 20 0 FGADRP C[NH+](C)[C@H](CNC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1cccs1 ZINC000050024737 493892158 /nfs/dbraw/zinc/89/21/58/493892158.db2.gz OLHHYIKIGXDILU-RTBURBONSA-N 2 0 371.550 3.379 20 0 FGADRP C[NH+](C)Cc1ccc(C(=O)NCc2ccccc2C[NH+]2CCCC2)cc1 ZINC000068931865 493896911 /nfs/dbraw/zinc/89/69/11/493896911.db2.gz JSBKAMLNHMVMBZ-UHFFFAOYSA-N 2 0 351.494 3.274 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[NH+](Cc3ccccc3)C2)[C@H](C)C1 ZINC000076491507 493904534 /nfs/dbraw/zinc/90/45/34/493904534.db2.gz FWXRBGBGOLUCLN-NRSPTQNISA-N 2 0 357.542 3.087 20 0 FGADRP C[C@@H](CC[NH+](C)C)NC(=O)NCc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000076571396 493927374 /nfs/dbraw/zinc/92/73/74/493927374.db2.gz YBMYFZMQDBCITJ-SFHVURJKSA-N 2 0 360.546 3.058 20 0 FGADRP CC[C@H]1CCC[N@H+](CC(=O)NC2CC[NH+](Cc3ccccc3C)CC2)C1 ZINC000051532698 493974865 /nfs/dbraw/zinc/97/48/65/493974865.db2.gz YKXUTJTZLRIHMT-IBGZPJMESA-N 2 0 357.542 3.198 20 0 FGADRP CC[C@@H]1CCC[N@H+](CC(=O)NC2CC[NH+](Cc3ccccc3C)CC2)C1 ZINC000051532697 493975146 /nfs/dbraw/zinc/97/51/46/493975146.db2.gz YKXUTJTZLRIHMT-LJQANCHMSA-N 2 0 357.542 3.198 20 0 FGADRP C[NH+](C)[C@H](CNC(=O)N1CCC[C@H]1C[NH+]1CCCCC1)c1cccs1 ZINC000069718908 494001843 /nfs/dbraw/zinc/00/18/43/494001843.db2.gz RNSCFLLNYYEBSL-DLBZAZTESA-N 2 0 364.559 3.011 20 0 FGADRP CC[N@H+](C)C[C@@H]1CC[NH+](CCC(=O)Nc2cccc(C(F)(F)F)c2)C1 ZINC000083214654 494009171 /nfs/dbraw/zinc/00/91/71/494009171.db2.gz ULJASLYBQINFEB-AWEZNQCLSA-N 2 0 357.420 3.308 20 0 FGADRP CC[NH+](CC)CCNC(=O)NC[C@@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC000062641063 494019492 /nfs/dbraw/zinc/01/94/92/494019492.db2.gz UHPHYASKVUFRCQ-FQEVSTJZSA-N 2 0 360.546 3.101 20 0 FGADRP CC1CC[NH+]([C@H](CNC(=O)NCC[NH+]2CCCCC2)c2ccccc2)CC1 ZINC000062642392 494019750 /nfs/dbraw/zinc/01/97/50/494019750.db2.gz BRHRNEQECDOPCT-OAQYLSRUSA-N 2 0 372.557 3.245 20 0 FGADRP O=C(Nc1ccc(CC[NH+]2CCCCC2)cc1)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000077202447 494031962 /nfs/dbraw/zinc/03/19/62/494031962.db2.gz COYWKPHYPCQGHK-NRFANRHFSA-N 2 0 370.541 3.417 20 0 FGADRP CCC[NH+]1CCC(N(C)C(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000070448134 494043571 /nfs/dbraw/zinc/04/35/71/494043571.db2.gz AASXRRAPTKHHCX-FQEVSTJZSA-N 2 0 357.542 3.231 20 0 FGADRP CCc1nc2cc(C[NH2+][C@@H]3CCOC[C@H]3[C@H]3CCC[NH2+]3)ccc2n1C1CC1 ZINC000580182220 505697474 /nfs/dbraw/zinc/69/74/74/505697474.db2.gz WZKPPALJKTZRKD-IPMKNSEASA-N 2 0 368.525 3.180 20 0 FGADRP C[C@H](CNC(=O)C1CC[NH+](Cc2ccccc2)CC1)[NH+]1CCC(C)CC1 ZINC000063699161 494077551 /nfs/dbraw/zinc/07/75/51/494077551.db2.gz WLIDYVKFBAUIKG-LJQANCHMSA-N 2 0 357.542 3.135 20 0 FGADRP C[C@H](NC(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1)C(C)(C)C[NH+](C)C ZINC000085387475 494118454 /nfs/dbraw/zinc/11/84/54/494118454.db2.gz STEPAXXIZWRKPP-HOTGVXAUSA-N 2 0 366.575 3.161 20 0 FGADRP CC[NH+](CC)CCOc1ccccc1NC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000072504357 494187111 /nfs/dbraw/zinc/18/71/11/494187111.db2.gz DNMJADRBDOPPPI-MSOLQXFVSA-N 2 0 374.529 3.108 20 0 FGADRP CC(C)[N@@H+]1CC[C@@H](CNC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000065441854 494197317 /nfs/dbraw/zinc/19/73/17/494197317.db2.gz JOTYYHDHOFAOGI-NRFANRHFSA-N 2 0 372.557 3.202 20 0 FGADRP CC(C)C[NH+]1CCC(NC(=O)N2CC[NH+](CC3CCCCC3)CC2)CC1 ZINC000065445233 494198462 /nfs/dbraw/zinc/19/84/62/494198462.db2.gz HNTCJOFLYYSDIJ-UHFFFAOYSA-N 2 0 364.578 3.014 20 0 FGADRP Cc1ccc([C@H](CNC(=O)N2CCC(C[N@@H+](C)C(C)C)CC2)[NH+](C)C)cc1 ZINC000065468483 494200299 /nfs/dbraw/zinc/20/02/99/494200299.db2.gz SFKMXDUCFWCVRC-NRFANRHFSA-N 2 0 374.573 3.360 20 0 FGADRP C[C@H](CNC(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1)[NH+]1CCC(C)CC1 ZINC000065479597 494202397 /nfs/dbraw/zinc/20/23/97/494202397.db2.gz HUKQGJLROPCPDJ-CTNGQTDRSA-N 2 0 372.557 3.071 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1cccc(F)c1C ZINC000072599802 494213621 /nfs/dbraw/zinc/21/36/21/494213621.db2.gz VZSZJDNJVLNUDO-MRXNPFEDSA-N 2 0 350.482 3.014 20 0 FGADRP C[C@H](NC(=O)[C@H](C)[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1)c1cc2ccccc2o1 ZINC000568492425 505708679 /nfs/dbraw/zinc/70/86/79/505708679.db2.gz NSALTDROLSSFHB-BXWFABGCSA-N 2 0 369.509 3.463 20 0 FGADRP C[C@H](NC(=O)[C@H](C)[NH+]1CCC([C@H]2CCC[NH2+]2)CC1)c1cc2ccccc2o1 ZINC000568492428 505708897 /nfs/dbraw/zinc/70/88/97/505708897.db2.gz NSALTDROLSSFHB-TXPKVOOTSA-N 2 0 369.509 3.463 20 0 FGADRP CC[C@H]1C[C@H](C)C[N@@H+]1CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000072697619 494235844 /nfs/dbraw/zinc/23/58/44/494235844.db2.gz WQWIAEIARINEOC-LPHOPBHVSA-N 2 0 361.555 3.294 20 0 FGADRP CCC[N@@H+]1CC[C@H](CNC(=O)NCc2cccc(C[NH+](CC)CC)c2)C1 ZINC000054511135 494243300 /nfs/dbraw/zinc/24/33/00/494243300.db2.gz AFRQRHROCHNKBZ-HXUWFJFHSA-N 2 0 360.546 3.060 20 0 FGADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)C1 ZINC000054718912 494264567 /nfs/dbraw/zinc/26/45/67/494264567.db2.gz VJXQHLGFUMWHPI-AEFFLSMTSA-N 2 0 372.557 3.430 20 0 FGADRP O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)N1CC[NH+](C2CCCC2)CC1 ZINC000043136430 494268355 /nfs/dbraw/zinc/26/83/55/494268355.db2.gz GUODOILLHOIWGH-IBGZPJMESA-N 2 0 374.529 3.076 20 0 FGADRP CCC[NH+]1CCC(N(C)C(=O)NCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000066179026 494284890 /nfs/dbraw/zinc/28/48/90/494284890.db2.gz NDUQGWLEJXLVRE-KDURUIRLSA-N 2 0 366.594 3.260 20 0 FGADRP C[NH+](C)Cc1ccccc1CNC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000073024736 494307760 /nfs/dbraw/zinc/30/77/60/494307760.db2.gz DALCQZBUJNXWMF-UHFFFAOYSA-N 2 0 351.494 3.274 20 0 FGADRP C[NH+](C)Cc1ccc(CNC(=O)NC[C@H](C2CCCCC2)[NH+](C)C)cc1 ZINC000043885323 494328811 /nfs/dbraw/zinc/32/88/11/494328811.db2.gz CJKBXWTWEVMOTH-HXUWFJFHSA-N 2 0 360.546 3.058 20 0 FGADRP CCc1ccc(C[NH2+]Cc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)s1 ZINC000066594168 494362486 /nfs/dbraw/zinc/36/24/86/494362486.db2.gz BXJLYCQEFJPPAG-SFHVURJKSA-N 2 0 371.550 3.298 20 0 FGADRP C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)NCCC[NH+]2CCCC2)C1 ZINC000045121411 494399200 /nfs/dbraw/zinc/39/92/00/494399200.db2.gz MXWPJPPXIYRQOH-IBGZPJMESA-N 2 0 372.557 3.204 20 0 FGADRP C[NH+](C)Cc1cccc(C(=O)N(Cc2ccco2)C2CC[NH+](C)CC2)c1 ZINC000073638431 494405717 /nfs/dbraw/zinc/40/57/17/494405717.db2.gz BQKLRVHDFXJUSF-UHFFFAOYSA-N 2 0 355.482 3.078 20 0 FGADRP C[NH+](C)CCN(Cc1ccccc1)C(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000079198076 494418210 /nfs/dbraw/zinc/41/82/10/494418210.db2.gz WCXNXTNTLXPQQU-GOSISDBHSA-N 2 0 374.554 3.124 20 0 FGADRP CC(C)[C@H](CNC(=O)N1CCC([NH+]2CCCC2)CC1)[NH+]1CCC(C)CC1 ZINC000079251254 494424392 /nfs/dbraw/zinc/42/43/92/494424392.db2.gz CTXOTPOTUZKVFB-FQEVSTJZSA-N 2 0 364.578 3.013 20 0 FGADRP Cc1ccc(C)c([C@@H](C)[NH2+]Cc2ccc(C(=O)NCC[NH+](C)C)cc2)c1 ZINC000090038674 494431432 /nfs/dbraw/zinc/43/14/32/494431432.db2.gz UWCSBQNVIPCXGD-GOSISDBHSA-N 2 0 353.510 3.446 20 0 FGADRP CC[N@@H+]1CC[C@H]([NH2+]CCOc2ncc(C(F)(F)F)cc2Cl)[C@H](C)C1 ZINC000090082446 494438560 /nfs/dbraw/zinc/43/85/60/494438560.db2.gz OCGUVPHKZBYZKQ-RISCZKNCSA-N 2 0 365.827 3.453 20 0 FGADRP CC1CC[NH+](CCCCNC(=O)NCCCC[NH+]2CCC(C)CC2)CC1 ZINC000079389769 494444889 /nfs/dbraw/zinc/44/48/89/494444889.db2.gz QOLBEOLXRLKOIO-UHFFFAOYSA-N 2 0 366.594 3.310 20 0 FGADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)NCC(C)(C)[NH+]2CCC[C@H](CC)C2)C1 ZINC000074169265 494491152 /nfs/dbraw/zinc/49/11/52/494491152.db2.gz WVNCGYIYXICDHO-RBUKOAKNSA-N 2 0 366.594 3.260 20 0 FGADRP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C1CC[NH+](C(C)C)CC1 ZINC000074220887 494500030 /nfs/dbraw/zinc/50/00/30/494500030.db2.gz AMBDZGDIXGYRLL-OAQYLSRUSA-N 2 0 371.569 3.477 20 0 FGADRP C[NH+](C)CCC1CC[NH+](CCOc2ccc(Br)cc2)CC1 ZINC000056525043 494520798 /nfs/dbraw/zinc/52/07/98/494520798.db2.gz VTOCRYLGFDZFDW-UHFFFAOYSA-N 2 0 355.320 3.492 20 0 FGADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)N[C@@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000067409138 494533992 /nfs/dbraw/zinc/53/39/92/494533992.db2.gz ALSUTSUMDGYXDH-OALUTQOASA-N 2 0 374.573 3.400 20 0 FGADRP CC(C)[NH+]1CCC(NC(=O)NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000067570989 494570278 /nfs/dbraw/zinc/57/02/78/494570278.db2.gz LSZQNCSSZPOQGU-FQEVSTJZSA-N 2 0 372.557 3.071 20 0 FGADRP CC[NH+](CC)[C@H](C)CNC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000080072073 494585134 /nfs/dbraw/zinc/58/51/34/494585134.db2.gz HDSLNCVXMCLCNU-QWFCFKBJSA-N 2 0 360.546 3.069 20 0 FGADRP C[C@H](NC(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1)C(C)(C)C[NH+](C)C ZINC000121096343 494593985 /nfs/dbraw/zinc/59/39/85/494593985.db2.gz DWANTWZCNXRCPY-QYZOEREBSA-N 2 0 366.594 3.259 20 0 FGADRP CC[NH+](CC)[C@@H]1CCN(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000080166693 494622509 /nfs/dbraw/zinc/62/25/09/494622509.db2.gz UCMAJBYDBPSIPQ-HMXCVIKNSA-N 2 0 372.557 3.165 20 0 FGADRP COc1ccc2oc(C[NH2+]CC3(N4CCCCC4)CC[NH+](C)CC3)cc2c1 ZINC000126062940 494624742 /nfs/dbraw/zinc/62/47/42/494624742.db2.gz ZLERUTWVXVDXBU-UHFFFAOYSA-N 2 0 371.525 3.481 20 0 FGADRP Cc1ccc(C[NH+]2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)cc1C ZINC000092426877 494625558 /nfs/dbraw/zinc/62/55/58/494625558.db2.gz RUEPSOQOUMKDBW-UHFFFAOYSA-N 2 0 359.558 3.219 20 0 FGADRP CC(C)CC[NH+]1CCC(CNC(=O)N2CCC[C@H]2C[NH+]2CCCC2)CC1 ZINC000080216230 494641894 /nfs/dbraw/zinc/64/18/94/494641894.db2.gz LGJLEDZHPJULRS-FQEVSTJZSA-N 2 0 364.578 3.014 20 0 FGADRP C[NH+](C)CCC1CCN(C(=O)NCCC[N@H+](C)C2CCCCC2)CC1 ZINC000126293712 494699575 /nfs/dbraw/zinc/69/95/75/494699575.db2.gz MEXORQAVMIKUND-UHFFFAOYSA-N 2 0 352.567 3.014 20 0 FGADRP C[NH+](C)CCNC(=O)c1ccc(C[NH2+][C@H]2CC[C@@H](c3ccccc3)C2)cc1 ZINC000131692812 494701525 /nfs/dbraw/zinc/70/15/25/494701525.db2.gz PQVLONWXRRMEPZ-YADHBBJMSA-N 2 0 365.521 3.404 20 0 FGADRP C[C@H]1CCCC[C@@H]1CC(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000577483180 505736827 /nfs/dbraw/zinc/73/68/27/505736827.db2.gz VIIMYPFBKZYMJP-AZUAARDMSA-N 2 0 357.542 3.313 20 0 FGADRP C[C@@H]1CCN(C(=O)/C=C/c2ccc(-n3ccnc3)cc2)C[C@@H]1n1ccnc1 ZINC000126322920 494709712 /nfs/dbraw/zinc/70/97/12/494709712.db2.gz ZKLKQAKMVSZQGY-PJRKJOQASA-N 2 0 361.449 3.192 20 0 FGADRP C[C@@H]([NH2+]Cc1cccc(OCC[N@H+](C)C2CCOCC2)c1)c1cccnc1 ZINC000092745516 494735935 /nfs/dbraw/zinc/73/59/35/494735935.db2.gz FIDUBZWILOCBTP-GOSISDBHSA-N 2 0 369.509 3.422 20 0 FGADRP COc1cccc(C[C@H]([NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)C2CC2)c1 ZINC000121395606 494737024 /nfs/dbraw/zinc/73/70/24/494737024.db2.gz NMLBFBSBLYFOFJ-AVRDEDQJSA-N 2 0 358.526 3.107 20 0 FGADRP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000025508876 494751393 /nfs/dbraw/zinc/75/13/93/494751393.db2.gz MIHQBUHDMRMPAF-OTWHNJEPSA-N 2 0 357.542 3.134 20 0 FGADRP C[N@@H+](CCC(=O)NC1CCCC1)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821260 494764899 /nfs/dbraw/zinc/76/48/99/494764899.db2.gz QSZQUQDVVFQMKU-UHFFFAOYSA-N 2 0 358.530 3.069 20 0 FGADRP CC1CC[NH+](CCCCNC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)CC1 ZINC000116422098 494782513 /nfs/dbraw/zinc/78/25/13/494782513.db2.gz UVGNHKXEYHRCEQ-GOSISDBHSA-N 2 0 354.583 3.164 20 0 FGADRP COc1cc([C@H](C)[NH2+]C[C@@H](C)C[NH+]2CCCCC2)cc(OC)c1OC ZINC000121588414 494812168 /nfs/dbraw/zinc/81/21/68/494812168.db2.gz VZADVIQGYLGSKJ-CVEARBPZSA-N 2 0 350.503 3.485 20 0 FGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1 ZINC000116817432 494856784 /nfs/dbraw/zinc/85/67/84/494856784.db2.gz XMPYLIOXYOVTQQ-MRXNPFEDSA-N 2 0 353.894 3.093 20 0 FGADRP CC(C)[C@@H](C[NH2+][C@H]1CCCOc2c(Cl)cccc21)N1CC[NH+](C)CC1 ZINC000132439095 494873892 /nfs/dbraw/zinc/87/38/92/494873892.db2.gz ROOPKYHRKXOAOK-RBUKOAKNSA-N 2 0 365.949 3.415 20 0 FGADRP C[NH+](C)Cc1ccc(CNC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)cc1F ZINC000121872702 494878962 /nfs/dbraw/zinc/87/89/62/494878962.db2.gz HGXOKDUPDYCPJG-NRFANRHFSA-N 2 0 369.484 3.168 20 0 FGADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H]2CCCOc3cc4c(cc32)CCC4)CC1 ZINC000121914760 494888512 /nfs/dbraw/zinc/88/85/12/494888512.db2.gz IRGVKYJLCKMMGY-DYESRHJHSA-N 2 0 357.542 3.005 20 0 FGADRP COc1cc2c(c(C[NH+]3CCC(OCC[NH+]4CCCC4)CC3)c1)O[C@H](C)C2 ZINC000093734916 494915062 /nfs/dbraw/zinc/91/50/62/494915062.db2.gz BHLHYFWFSYUICI-QGZVFWFLSA-N 2 0 374.525 3.095 20 0 FGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+][C@H](C)c2cnn(C)c2)CC1 ZINC000127250542 494917399 /nfs/dbraw/zinc/91/73/99/494917399.db2.gz PBYHKDMLXFWWNR-CVEARBPZSA-N 2 0 359.493 3.113 20 0 FGADRP Cc1cc(C)n(CCC[NH2+]Cc2ccccc2N(C)C2CC[NH+](C)CC2)n1 ZINC000132744170 494917700 /nfs/dbraw/zinc/91/77/00/494917700.db2.gz DZVQHUORKKNFNB-UHFFFAOYSA-N 2 0 369.557 3.210 20 0 FGADRP Cc1cc(F)ccc1N1CCC[C@H]([NH+]2CCC(CC[NH+](C)C)CC2)C1=O ZINC000117431109 494918869 /nfs/dbraw/zinc/91/88/69/494918869.db2.gz CCAJHOFPSRRMGE-FQEVSTJZSA-N 2 0 361.505 3.293 20 0 FGADRP COCCN1CCC[C@H]1C[NH2+][C@@H]1CCCc2ncc(C(F)(F)F)cc21 ZINC000132844649 494931962 /nfs/dbraw/zinc/93/19/62/494931962.db2.gz OMDBUYJNBGJJGZ-WMLDXEAASA-N 2 0 357.420 3.178 20 0 FGADRP C[C@@H]([NH2+]C[C@@H](C)N1CC[NH+](C)CC1)c1cc(Cl)ccc1OC(F)F ZINC000127699356 494983946 /nfs/dbraw/zinc/98/39/46/494983946.db2.gz CCRZSLXCHPSKKM-CHWSQXEVSA-N 2 0 361.864 3.228 20 0 FGADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H]1CCCc2ncc(C(F)(F)F)cc21 ZINC000133211367 494985358 /nfs/dbraw/zinc/98/53/58/494985358.db2.gz XMIOCSKEPPSTSV-RHSMWYFYSA-N 2 0 359.436 3.424 20 0 FGADRP Cc1cc(Cl)cc2c1OCCC[C@H]2[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000122555938 494994245 /nfs/dbraw/zinc/99/42/45/494994245.db2.gz ROPXEZXKOZCSRZ-LJQANCHMSA-N 2 0 365.949 3.478 20 0 FGADRP CC[C@H]([NH2+]C[C@H](C)N1CC[NH+](C)CC1)c1ccccc1Br ZINC000127859069 495009334 /nfs/dbraw/zinc/00/93/34/495009334.db2.gz FQVFOSOPUKHRGA-YOEHRIQHSA-N 2 0 354.336 3.126 20 0 FGADRP C[C@H](NCCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1ccc(Cl)c(Cl)c1 ZINC000128007126 495029753 /nfs/dbraw/zinc/02/97/53/495029753.db2.gz VTKXFVXVDORZFW-JSGCOSHPSA-N 2 0 358.313 3.231 20 0 FGADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)[C@H](C)C1 ZINC000128055043 495038100 /nfs/dbraw/zinc/03/81/00/495038100.db2.gz SSZNSNGFPHGYGN-WIYYLYMNSA-N 2 0 372.557 3.154 20 0 FGADRP COc1ccc(C[NH2+][C@@H](C)c2ccc(OCC[NH+](C)C)cc2)c(OC)c1 ZINC000118948414 495055472 /nfs/dbraw/zinc/05/54/72/495055472.db2.gz RFBITDIZEVLTIT-INIZCTEOSA-N 2 0 358.482 3.495 20 0 FGADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000133767984 495058874 /nfs/dbraw/zinc/05/88/74/495058874.db2.gz IDZCLHCILXWDLT-OAQYLSRUSA-N 2 0 372.557 3.060 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NCCC[NH+](C)C2CCCCC2)[C@H](C)C1 ZINC000128326399 495079427 /nfs/dbraw/zinc/07/94/27/495079427.db2.gz DGUCNUIKDHHUAF-MJGOQNOKSA-N 2 0 352.567 3.013 20 0 FGADRP C[NH+](C)[C@@H](CNC(=O)NCCCCC[NH+]1CCCCC1)c1ccccc1 ZINC000111518850 495084685 /nfs/dbraw/zinc/08/46/85/495084685.db2.gz XQOQRPITRNXSAZ-FQEVSTJZSA-N 2 0 360.546 3.245 20 0 FGADRP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000134101387 495106040 /nfs/dbraw/zinc/10/60/40/495106040.db2.gz LJEPSQGAGFUQEI-SWUCNREESA-N 2 0 371.569 3.303 20 0 FGADRP CC[C@@H]([NH2+]CCCN1CCC[N@H+](C)CC1)c1ccccc1OC(F)F ZINC000128513856 495109122 /nfs/dbraw/zinc/10/91/22/495109122.db2.gz QVAPUSKOLYTHBY-QGZVFWFLSA-N 2 0 355.473 3.356 20 0 FGADRP C[C@@H]1CCC[N@@H+]1C1CCN(C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)CC1 ZINC000128740950 495143766 /nfs/dbraw/zinc/14/37/66/495143766.db2.gz NMGXDTJEBAAMRC-AEFFLSMTSA-N 2 0 352.567 3.011 20 0 FGADRP CCCC[N@H+](C)CC1CC[NH+](C[C@H](O)COc2cccc3[nH]ccc32)CC1 ZINC000128836455 495156825 /nfs/dbraw/zinc/15/68/25/495156825.db2.gz WUDBQVMMYLFVRZ-IBGZPJMESA-N 2 0 373.541 3.352 20 0 FGADRP COc1ccc(CNc2ncnc3c2cnn3-c2ccncc2)cc1Cl ZINC000119662250 495212778 /nfs/dbraw/zinc/21/27/78/495212778.db2.gz MPDFINJUFLAZKN-UHFFFAOYSA-N 2 0 366.812 3.485 20 0 FGADRP Cc1sc([C@H](C)[NH2+]CCN2CC[NH2+]CC2)nc1-c1ccc(Cl)cc1 ZINC000568749292 505769680 /nfs/dbraw/zinc/76/96/80/505769680.db2.gz PYECXVJGLMTUSW-ZDUSSCGKSA-N 2 0 364.946 3.328 20 0 FGADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000103305557 495217161 /nfs/dbraw/zinc/21/71/61/495217161.db2.gz SLNRUFSMMGIODS-PMACEKPBSA-N 2 0 364.578 3.014 20 0 FGADRP O=C(CCN1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)Nc1cc(F)cc(F)c1 ZINC000134894850 495217751 /nfs/dbraw/zinc/21/77/51/495217751.db2.gz IOVNDHKGRSWNIZ-AUUYWEPGSA-N 2 0 363.452 3.242 20 0 FGADRP CC(C)[NH+]1CCC([NH2+]C[C@@H](c2ccc(Cl)cc2)N2CCOCC2)CC1 ZINC000119813828 495247394 /nfs/dbraw/zinc/24/73/94/495247394.db2.gz DDWCLPDJHWZAQG-FQEVSTJZSA-N 2 0 365.949 3.176 20 0 FGADRP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2CC([NH2+]C2CCC4(CC2)OCCO4)C3)cc1 ZINC000135264628 495270234 /nfs/dbraw/zinc/27/02/34/495270234.db2.gz PZANBLNZXQCDMJ-SEJPIABJSA-N 2 0 356.510 3.457 20 0 FGADRP CN(C)CC[NH+]1CCC(C[NH2+][C@H]2CCCOc3ccc(Cl)cc32)CC1 ZINC000124332504 495271747 /nfs/dbraw/zinc/27/17/47/495271747.db2.gz RLUPLWCELFPMDW-IBGZPJMESA-N 2 0 365.949 3.417 20 0 FGADRP COc1ccc([C@@H](C)[NH2+]CC2CC[NH+](CCN(C)C)CC2)cc1Cl ZINC000124382023 495278651 /nfs/dbraw/zinc/27/86/51/495278651.db2.gz DAKBYEQZUCYRQZ-OAHLLOKOSA-N 2 0 353.938 3.273 20 0 FGADRP C[C@H]1C[C@@H](CCNC(=O)c2ccc(C[NH3+])cc2)C[N@@H+]1Cc1ccccc1 ZINC000568760262 505772221 /nfs/dbraw/zinc/77/22/21/505772221.db2.gz QEMXHTRSMBCABY-FXAWDEMLSA-N 2 0 351.494 3.176 20 0 FGADRP CC(C)[NH+]1CCC(NC(=O)N2CC[N@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC000105079372 495333809 /nfs/dbraw/zinc/33/38/09/495333809.db2.gz CLNDLHURIBXVEW-UHFFFAOYSA-N 2 0 372.557 3.165 20 0 FGADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)NC[C@H]1CCC[NH+](C(C)C)C1 ZINC000105113516 495337749 /nfs/dbraw/zinc/33/77/49/495337749.db2.gz UVQLNSXKASHHBS-LJQANCHMSA-N 2 0 374.573 3.446 20 0 FGADRP Cc1ccc([C@@H](CNC(=O)NCCCCNc2ccccn2)[NH+](C)C)cc1 ZINC000105198113 495344356 /nfs/dbraw/zinc/34/43/56/495344356.db2.gz NZGYUGRQXAKSDD-LJQANCHMSA-N 2 0 369.513 3.184 20 0 FGADRP C[N@H+](CCNC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1)C1CCCC1 ZINC000105294884 495353434 /nfs/dbraw/zinc/35/34/34/495353434.db2.gz RFDLZWPYVXFIQI-IBGZPJMESA-N 2 0 364.578 3.158 20 0 FGADRP CCC[N@H+](CC[C@@H]1CCC[NH+]1C)C1CCN(C(=O)c2ccccc2)CC1 ZINC000125088128 495388640 /nfs/dbraw/zinc/38/86/40/495388640.db2.gz DSAPECRAHYSAJF-FQEVSTJZSA-N 2 0 357.542 3.488 20 0 FGADRP CCC[NH+]1CCN(c2ccccc2C[N@@H+]2CC[C@@H](COC(F)F)C2)CC1 ZINC000568799725 505779472 /nfs/dbraw/zinc/77/94/72/505779472.db2.gz DJWFTEHBGCNBDY-QGZVFWFLSA-N 2 0 367.484 3.280 20 0 FGADRP CC[NH+](CC)Cc1ccccc1C[NH2+][C@@H](C)C(=O)NCc1ccccc1F ZINC000114746148 495420308 /nfs/dbraw/zinc/42/03/08/495420308.db2.gz PWMZIOAXXQRHAY-KRWDZBQOSA-N 2 0 371.500 3.462 20 0 FGADRP C[C@H]1C[C@H](NC(=O)NC2CCC(C[NH+](C)C)CC2)C[N@@H+]1Cc1ccccc1 ZINC000125409353 495440009 /nfs/dbraw/zinc/44/00/09/495440009.db2.gz RFTMEXBLIQFFGY-RLHVNXBHSA-N 2 0 372.557 3.069 20 0 FGADRP CCOc1ccc(NC(=O)CC[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cc1 ZINC000137568602 495445969 /nfs/dbraw/zinc/44/59/69/495445969.db2.gz HZUBGSZVXZYCCT-LJQANCHMSA-N 2 0 359.514 3.364 20 0 FGADRP C[NH+](C)Cc1ccc(CNC(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2)cc1 ZINC000120759813 495452207 /nfs/dbraw/zinc/45/22/07/495452207.db2.gz NONSTYMBKUHCDD-JOCHJYFZSA-N 2 0 365.521 3.419 20 0 FGADRP CC(C)C[NH+]1CCC[C@@H](CNC(=O)NC[C@@H]2CCC[N@@H+](CC(C)C)C2)C1 ZINC000130936135 495468355 /nfs/dbraw/zinc/46/83/55/495468355.db2.gz JGEFXWZMUYRGKX-PMACEKPBSA-N 2 0 366.594 3.022 20 0 FGADRP CC[C@@H]([NH2+]C[C@H](C)CN1CC[NH+](C)CC1)c1cccc(Br)c1 ZINC000121035234 495508791 /nfs/dbraw/zinc/50/87/91/495508791.db2.gz NBBITZLBUUJTIN-MAUKXSAKSA-N 2 0 368.363 3.373 20 0 FGADRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@H](C)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000131292884 495518156 /nfs/dbraw/zinc/51/81/56/495518156.db2.gz CLUOVXUXRHWVSX-HUUCEWRRSA-N 2 0 358.523 3.390 20 0 FGADRP CCC[NH+]1CCC(NC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000107327663 495525155 /nfs/dbraw/zinc/52/51/55/495525155.db2.gz UXNMOAODTPRTBK-UHFFFAOYSA-N 2 0 372.557 3.346 20 0 FGADRP CC[NH+]1CCN(CCC[NH2+][C@@H](C)c2ccccc2OC(F)(F)F)CC1 ZINC000154234505 495552366 /nfs/dbraw/zinc/55/23/66/495552366.db2.gz WOKICYZSLVBZIK-HNNXBMFYSA-N 2 0 359.436 3.263 20 0 FGADRP CCC[NH+]1CCC(N(C)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)CC1 ZINC000577770136 505789339 /nfs/dbraw/zinc/78/93/39/505789339.db2.gz JDZAMOIZINXBIA-RXVVDRJESA-N 2 0 372.557 3.165 20 0 FGADRP C[N@@H+]1CCC[C@@H]2C[NH+](CCc3nc(-c4cccc(Cl)c4)no3)CC[C@@H]21 ZINC000158742047 495579437 /nfs/dbraw/zinc/57/94/37/495579437.db2.gz WCYDGBWYJKWGFQ-WBVHZDCISA-N 2 0 360.889 3.349 20 0 FGADRP Cc1cc(NC(=O)[C@@H]2CCCC[C@@]2(C)[NH3+])cc(N2CC[NH+](C(C)C)CC2)c1 ZINC000574516958 505790539 /nfs/dbraw/zinc/79/05/39/505790539.db2.gz LHUYMTVZFFPWRX-RBBKRZOGSA-N 2 0 372.557 3.372 20 0 FGADRP C[N@@H+]1CC[C@H](NCC2([NH+]3CCCC3)CCOCC2)C[C@@H]1c1ccccc1 ZINC000577775860 505790844 /nfs/dbraw/zinc/79/08/44/505790844.db2.gz XNTBBHNBSCYUPP-LEWJYISDSA-N 2 0 357.542 3.057 20 0 FGADRP C[C@@H]1C[NH+](Cc2ccccc2C[NH2+]Cc2cc(O)cc(F)c2)C[C@@H](C)O1 ZINC000185482220 495594451 /nfs/dbraw/zinc/59/44/51/495594451.db2.gz IGXNUQWKOVQLNN-HZPDHXFCSA-N 2 0 358.457 3.430 20 0 FGADRP C[C@@H](C[NH+]1CCCCCC1)NC(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000185583292 495631468 /nfs/dbraw/zinc/63/14/68/495631468.db2.gz FUIMJRCDCHAWMP-SFHVURJKSA-N 2 0 364.578 3.347 20 0 FGADRP CC[NH+](CC)Cc1cccc(CNC(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000173782706 495692049 /nfs/dbraw/zinc/69/20/49/495692049.db2.gz OPOMJUHBLQAZGK-YLJYHZDGSA-N 2 0 360.546 3.153 20 0 FGADRP Cc1ccc(OC(F)F)c([C@@H](C)[NH2+]C2CCN(CC[NH+](C)C)CC2)c1 ZINC000150951719 495692737 /nfs/dbraw/zinc/69/27/37/495692737.db2.gz OLALGSTXCGTVHA-OAHLLOKOSA-N 2 0 355.473 3.273 20 0 FGADRP Cc1ccc([C@H](CNC(=O)N2CC[C@H]([NH+]3CCCC3)C2)[NH+]2CCCC2)cc1 ZINC000171056921 495705512 /nfs/dbraw/zinc/70/55/12/495705512.db2.gz GNFPLPWANKVZOG-SFTDATJTSA-N 2 0 370.541 3.012 20 0 FGADRP CC[NH+](CC)CCCNC(=O)C1CC[NH+]([C@H](C)c2ccc(F)cc2)CC1 ZINC000150999543 495706451 /nfs/dbraw/zinc/70/64/51/495706451.db2.gz RIQKTGKSLQOBEA-QGZVFWFLSA-N 2 0 363.521 3.447 20 0 FGADRP CC[C@@H]1CN(C(=O)NCCC2CC[NH+](C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000185795997 495729169 /nfs/dbraw/zinc/72/91/69/495729169.db2.gz NFDNKYFSNWTPQB-OAQYLSRUSA-N 2 0 372.557 3.024 20 0 FGADRP CCC[N@@H+]1CC[C@H](C[NH2+]C2CCN(C(=O)c3ccc(Cl)cc3)CC2)C1 ZINC000151129111 495747640 /nfs/dbraw/zinc/74/76/40/495747640.db2.gz JMIVZGVGFVTKHF-MRXNPFEDSA-N 2 0 363.933 3.266 20 0 FGADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1cc(C(F)(F)F)ccc1Cl ZINC000185880418 495762307 /nfs/dbraw/zinc/76/23/07/495762307.db2.gz HEIKTKBUNZADBD-ZDUSSCGKSA-N 2 0 363.855 3.474 20 0 FGADRP Cc1cc(Br)ccc1C[NH2+]C(C)(C)CCN1CC[NH+](C)CC1 ZINC000185896756 495770697 /nfs/dbraw/zinc/77/06/97/495770697.db2.gz SKJDPNXMNOAZAD-UHFFFAOYSA-N 2 0 368.363 3.263 20 0 FGADRP CC(=O)c1ccccc1OCC[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000182982948 495784541 /nfs/dbraw/zinc/78/45/41/495784541.db2.gz JXBXWUWFDOHUGO-UHFFFAOYSA-N 2 0 374.525 3.092 20 0 FGADRP C[N@@H+]1CC[C@H]([NH2+]Cc2cc(Cl)ccc2N2CCOCC2)[C@H]2CCC[C@@H]21 ZINC000577847182 505804003 /nfs/dbraw/zinc/80/40/03/505804003.db2.gz ZSZDVIOSQMDUFZ-HBFSDRIKSA-N 2 0 363.933 3.139 20 0 FGADRP C[C@@H](C(=O)NCC1CC[NH+](Cc2ccccc2)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000171274270 495800490 /nfs/dbraw/zinc/80/04/90/495800490.db2.gz ZZNZRWVUJLGNJP-QRVBRYPASA-N 2 0 357.542 3.276 20 0 FGADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NCCC[NH+]1CCCCC1 ZINC000171296434 495809228 /nfs/dbraw/zinc/80/92/28/495809228.db2.gz GEASZTGWMQRLPY-UHFFFAOYSA-N 2 0 360.546 3.156 20 0 FGADRP CC[C@@H]([NH2+][C@H](C)CN1CC[NH+](C)CC1)c1cccc(Br)c1 ZINC000155095036 495833783 /nfs/dbraw/zinc/83/37/83/495833783.db2.gz TWDKZXXGRKOCJA-RHSMWYFYSA-N 2 0 354.336 3.126 20 0 FGADRP CC(=O)N1CCC(C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000183139501 495850503 /nfs/dbraw/zinc/85/05/03/495850503.db2.gz JBKLOUHWICZRSH-RJGXRXQPSA-N 2 0 369.553 3.135 20 0 FGADRP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CC[C@H](C[NH+]3CCCC3)C2)C1 ZINC000174253726 495883509 /nfs/dbraw/zinc/88/35/09/495883509.db2.gz AEOHLHHDRAMEQS-RBUKOAKNSA-N 2 0 364.578 3.014 20 0 FGADRP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]CCCc2ccccn2)CC1 ZINC000180166537 495888458 /nfs/dbraw/zinc/88/84/58/495888458.db2.gz CXOIZKVBYSOZKX-UHFFFAOYSA-N 2 0 358.917 3.209 20 0 FGADRP CC[N@H+](C)[C@@H](C(=O)NC1CC[NH+](CC2CCCC2)CC1)c1ccccc1 ZINC000171480569 495894329 /nfs/dbraw/zinc/89/43/29/495894329.db2.gz FQZXVIAGGSSIPN-OAQYLSRUSA-N 2 0 357.542 3.450 20 0 FGADRP Cc1ccc(NC(=O)[C@@H](C)[NH+]2CCCCCC2)cc1NC(=O)CC[NH+](C)C ZINC000186209762 495896615 /nfs/dbraw/zinc/89/66/15/495896615.db2.gz SVUNAVWJOYVKGB-QGZVFWFLSA-N 2 0 374.529 3.088 20 0 FGADRP CC(C)[NH+](CCCNC(=O)N1CCC(C[NH+]2CCCC2)CC1)C(C)C ZINC000174352245 495923439 /nfs/dbraw/zinc/92/34/39/495923439.db2.gz PIBSVUHYYZMKJI-UHFFFAOYSA-N 2 0 352.567 3.013 20 0 FGADRP CC(C)Cn1cc(C[NH+]2CCC(CC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)cn1 ZINC000183392392 495961113 /nfs/dbraw/zinc/96/11/13/495961113.db2.gz BYVNSKMFLKCRBY-RTBURBONSA-N 2 0 362.562 3.250 20 0 FGADRP CN(C)CC[NH+]1CCC(C[NH2+][C@@H](c2ccccc2)c2ccccn2)CC1 ZINC000180452519 496002481 /nfs/dbraw/zinc/00/24/81/496002481.db2.gz YKMQEXVHOBMONQ-QFIPXVFZSA-N 2 0 352.526 3.034 20 0 FGADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H](C)c2ccc(Br)s2)CC1 ZINC000155602746 496010414 /nfs/dbraw/zinc/01/04/14/496010414.db2.gz LLVBCMUWWOJEEF-CHWSQXEVSA-N 2 0 360.365 3.187 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)C1CC[NH+](C(C)C)CC1)Cc1ccccc1 ZINC000174601563 496028834 /nfs/dbraw/zinc/02/88/34/496028834.db2.gz OKCPRBOPBUWTRE-OAQYLSRUSA-N 2 0 359.558 3.176 20 0 FGADRP C[NH+](C)Cc1cccc(CNC(=O)NC2CC[NH+](C3CCCCC3)CC2)c1 ZINC000177359624 496030120 /nfs/dbraw/zinc/03/01/20/496030120.db2.gz WVQJUZCKZSPCIK-UHFFFAOYSA-N 2 0 372.557 3.345 20 0 FGADRP OC[C@H]1CCC[N@@H+]1CCCC[NH2+][C@@H](c1ccccc1)c1ccc(F)cn1 ZINC000183569166 496033951 /nfs/dbraw/zinc/03/39/51/496033951.db2.gz HZVRXMSSSKQVAH-CTNGQTDRSA-N 2 0 357.473 3.137 20 0 FGADRP CCC[NH+]1CCC(C[NH2+]C[C@H](O)COc2ccccc2C(F)(F)F)CC1 ZINC000574631343 505820078 /nfs/dbraw/zinc/82/00/78/505820078.db2.gz GIMJZKCWZWEAAM-INIZCTEOSA-N 2 0 374.447 3.157 20 0 FGADRP CC(C)c1ccccc1NC(=O)C[C@@H](C)[NH2+][C@@H](C)CCN1CC[NH+](C)CC1 ZINC000186572564 496050901 /nfs/dbraw/zinc/05/09/01/496050901.db2.gz DIFYEFNOIUICTQ-RBUKOAKNSA-N 2 0 374.573 3.143 20 0 FGADRP CCc1cccc(OC[C@H](O)C[NH2+]Cc2ccccc2Cn2ccnc2)c1 ZINC000580709578 505820188 /nfs/dbraw/zinc/82/01/88/505820188.db2.gz GSQZWRUNGHBJQM-OAQYLSRUSA-N 2 0 365.477 3.023 20 0 FGADRP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)CC3 ZINC000180577401 496052546 /nfs/dbraw/zinc/05/25/46/496052546.db2.gz QUVUMFSWNLQUNK-IEBWSBKVSA-N 2 0 367.537 3.424 20 0 FGADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1ccc(F)c(Br)c1 ZINC000186580516 496055388 /nfs/dbraw/zinc/05/53/88/496055388.db2.gz ZDVOMUCBEXFGEX-KGLIPLIRSA-N 2 0 372.326 3.265 20 0 FGADRP CC(C)N1CC[C@@H]([NH2+]Cc2ccccc2C[NH+]2C[C@H](C)C[C@@H](C)C2)C1=O ZINC000177427484 496057528 /nfs/dbraw/zinc/05/75/28/496057528.db2.gz GBIMPNXRTRDKNV-DBXWQHBBSA-N 2 0 357.542 3.263 20 0 FGADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1cccc(Br)c1 ZINC000186604233 496069074 /nfs/dbraw/zinc/06/90/74/496069074.db2.gz PGLLMSQOMDXLQT-GJZGRUSLSA-N 2 0 354.336 3.126 20 0 FGADRP Cc1nc(C)c(C[NH+]2CCC(CC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)s1 ZINC000177490763 496083170 /nfs/dbraw/zinc/08/31/70/496083170.db2.gz OYWUUPYWJOUEDG-HUUCEWRRSA-N 2 0 351.560 3.471 20 0 FGADRP COc1ccc(CN2CCC[C@H]3C[N@H+](C)CC[C@@H]32)c(Br)c1 ZINC000577945348 505824471 /nfs/dbraw/zinc/82/44/71/505824471.db2.gz WQUGFPRCOMUTNC-YOEHRIQHSA-N 2 0 353.304 3.374 20 0 FGADRP CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC000174949587 496178402 /nfs/dbraw/zinc/17/84/02/496178402.db2.gz VEPJYGVCUFUWES-OAQYLSRUSA-N 2 0 365.521 3.342 20 0 FGADRP C[NH+](C)Cc1cccc(C(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)c1 ZINC000156212057 496188111 /nfs/dbraw/zinc/18/81/11/496188111.db2.gz SYJYNTMBAWLZRW-FQEVSTJZSA-N 2 0 357.542 3.476 20 0 FGADRP OC[C@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+]CC1=Cc2ccccc2OC1 ZINC000180985571 496229897 /nfs/dbraw/zinc/22/98/97/496229897.db2.gz ZCUDCVUGTBEUBW-JOCHJYFZSA-N 2 0 364.489 3.209 20 0 FGADRP CC1(C)Cc2cc(C[NH2+]Cc3ccccc3C[N@@H+]3CC[C@H](O)C3)ccc2O1 ZINC000180993977 496233641 /nfs/dbraw/zinc/23/36/41/496233641.db2.gz OMFCCWJRSUXREP-NRFANRHFSA-N 2 0 366.505 3.257 20 0 FGADRP CC(C)[NH2+]C1CCN(C(=O)NC2CCC([NH+]3CCC(C)CC3)CC2)CC1 ZINC000152766533 496249595 /nfs/dbraw/zinc/24/95/95/496249595.db2.gz GWXWZENQKHLSNC-UHFFFAOYSA-N 2 0 364.578 3.202 20 0 FGADRP CC(C)C[NH+]1CCC(NC(=O)NCC[C@H](C)[N@H+](C)Cc2ccccc2)CC1 ZINC000175232172 496300844 /nfs/dbraw/zinc/30/08/44/496300844.db2.gz BPHVPFLICCBSBY-IBGZPJMESA-N 2 0 374.573 3.317 20 0 FGADRP O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000178075565 496317590 /nfs/dbraw/zinc/31/75/90/496317590.db2.gz QOWMSJDRMPUPQJ-IEBWSBKVSA-N 2 0 359.514 3.187 20 0 FGADRP CC1CC[NH+](CCNC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000175374467 496362354 /nfs/dbraw/zinc/36/23/54/496362354.db2.gz QDZDBYYKBYQCGA-TZIWHRDSSA-N 2 0 372.557 3.071 20 0 FGADRP CC[N@H+](Cc1ccc(C(=O)N2CCC[C@@H]3C[NH+](C)CC[C@@H]32)cc1)C(C)C ZINC000157097472 496404437 /nfs/dbraw/zinc/40/44/37/496404437.db2.gz OXZBWTGZCFYCAE-RTWAWAEBSA-N 2 0 357.542 3.473 20 0 FGADRP C[N@@H+]1CCC[C@@H]2C[NH+](C[C@@H](O)COc3ccc(C(C)(C)C)cc3)CC[C@H]21 ZINC000162796581 496414199 /nfs/dbraw/zinc/41/41/99/496414199.db2.gz UJSBPJQXZPIVSN-YFVAEKQCSA-N 2 0 360.542 3.140 20 0 FGADRP COc1ccc([C@H](C)[NH2+]CCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c(OC)c1 ZINC000162872892 496426801 /nfs/dbraw/zinc/42/68/01/496426801.db2.gz OLRWETGAKULMEI-BBWFWOEESA-N 2 0 350.503 3.244 20 0 FGADRP CC(C)[NH+]1CCC(C(=O)NC[C@H](C2CC2)[N@H+](C)Cc2ccccc2)CC1 ZINC000187465260 496453660 /nfs/dbraw/zinc/45/36/60/496453660.db2.gz SHCDQSXGDAOGNW-OAQYLSRUSA-N 2 0 357.542 3.134 20 0 FGADRP C[C@H](OC[C@@H](O)C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1)c1ccc(Cl)cc1 ZINC000157358109 496461779 /nfs/dbraw/zinc/46/17/79/496461779.db2.gz JNNJXSVBLAIKHN-QKLQHJQFSA-N 2 0 366.933 3.196 20 0 FGADRP CCc1ccc([C@@H](CNC(=O)CC[C@@H]([NH3+])c2ccccc2)[NH+](C)C)cc1 ZINC000163599792 496536239 /nfs/dbraw/zinc/53/62/39/496536239.db2.gz XSUTUABUCMEJLE-NHCUHLMSSA-N 2 0 353.510 3.448 20 0 FGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+][C@H](C)CCn2cccn2)CC1 ZINC000157745013 496544100 /nfs/dbraw/zinc/54/41/00/496544100.db2.gz QGFVVLVOPLMPTL-MSOLQXFVSA-N 2 0 373.520 3.294 20 0 FGADRP C[C@H](C[NH+]1CCCCC1)NC(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000175788104 496545990 /nfs/dbraw/zinc/54/59/90/496545990.db2.gz ZRJRETDERRJGCW-LJQANCHMSA-N 2 0 372.557 3.167 20 0 FGADRP C[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CC[C@@](C)(c4ccccc4)C3)cn2)CC1 ZINC000187742234 496553699 /nfs/dbraw/zinc/55/36/99/496553699.db2.gz YBTWPGDTFANYON-FYYLOGMGSA-N 2 0 364.537 3.433 20 0 FGADRP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@H](C)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000157912706 496583239 /nfs/dbraw/zinc/58/32/39/496583239.db2.gz TYJXLLRORKNTAO-IRXDYDNUSA-N 2 0 352.544 3.253 20 0 FGADRP C[C@@H]1C[NH+](CCCC[NH2+]Cc2nc3cc(Cl)ccc3n2C)C[C@@H](C)O1 ZINC000178894984 496607406 /nfs/dbraw/zinc/60/74/06/496607406.db2.gz LNRKGHJMHOYUDZ-HUUCEWRRSA-N 2 0 364.921 3.206 20 0 FGADRP C[C@@H](C(=O)NC1CC[NH+](C2CCN(C)CC2)CC1)c1ccc(Cl)s1 ZINC000175959568 496618606 /nfs/dbraw/zinc/61/86/06/496618606.db2.gz OMFLPAWWRKUZNY-CYBMUJFWSA-N 2 0 369.962 3.180 20 0 FGADRP C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000164603313 496622358 /nfs/dbraw/zinc/62/23/58/496622358.db2.gz AQCBGBICVKFFNM-AVRDEDQJSA-N 2 0 365.521 3.105 20 0 FGADRP CC(C)[N@H+](C[C@@H](O)COc1cccc2ccccc21)CC1CC[NH2+]CC1 ZINC000178955745 496628059 /nfs/dbraw/zinc/62/80/59/496628059.db2.gz AGHLCJRZWQVKAU-HXUWFJFHSA-N 2 0 356.510 3.290 20 0 FGADRP COc1cccc(C[NH2+][C@@H](C)c2cccc(OCC[NH+](C)C)c2)c1OC ZINC000165952387 496674684 /nfs/dbraw/zinc/67/46/84/496674684.db2.gz BBVSTUJHOHWXEX-INIZCTEOSA-N 2 0 358.482 3.495 20 0 FGADRP CCO[C@H]1C[C@]([NH3+])(C(=O)Nc2cccc(C[NH+]3CCCCC3)c2)C1(C)C ZINC000188080449 496674858 /nfs/dbraw/zinc/67/48/58/496674858.db2.gz MVPFFMJOPXBEHF-RXVVDRJESA-N 2 0 359.514 3.144 20 0 FGADRP FC(F)(F)c1ccc(N2CCC([NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)CC2)nc1 ZINC000166162298 496678093 /nfs/dbraw/zinc/67/80/93/496678093.db2.gz WNSHKCDMMBVIEV-IAGOWNOFSA-N 2 0 368.447 3.286 20 0 FGADRP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)c1cccc(Br)c1 ZINC000173405608 496679135 /nfs/dbraw/zinc/67/91/35/496679135.db2.gz AUHZBCNFQLSWCW-WMLDXEAASA-N 2 0 355.320 3.337 20 0 FGADRP [NH3+][C@H](Cc1ccccc1)C(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000166413875 496686312 /nfs/dbraw/zinc/68/63/12/496686312.db2.gz IZOBVWUKYZEEAA-JOCHJYFZSA-N 2 0 365.521 3.249 20 0 FGADRP C[C@@H]([NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1)c1ccccc1 ZINC000173427168 496689068 /nfs/dbraw/zinc/68/90/68/496689068.db2.gz SSBBEAPFPPQAOZ-GOSISDBHSA-N 2 0 351.494 3.363 20 0 FGADRP C[C@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)C(C)(C)c1ccccc1 ZINC000158435541 496701102 /nfs/dbraw/zinc/70/11/02/496701102.db2.gz WYAKLZUCXDZQNI-SFHVURJKSA-N 2 0 352.526 3.289 20 0 FGADRP C[C@H](C(=O)Nc1cccc(OCCC[NH+](C)C)c1)[C@@H]([NH3+])c1ccccc1 ZINC000168767349 496711596 /nfs/dbraw/zinc/71/15/96/496711596.db2.gz KYJBYWRDVHWOAC-OXJNMPFZSA-N 2 0 355.482 3.292 20 0 FGADRP CC(C)Oc1ccc([C@@H](C)[NH2+]Cc2cccnc2N2CC[NH+](C)CC2)cc1 ZINC000158504576 496715369 /nfs/dbraw/zinc/71/53/69/496715369.db2.gz HITZKDZXFJZIDH-GOSISDBHSA-N 2 0 368.525 3.471 20 0 FGADRP O[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2ccc(OCC3CC3)cc2)CC1 ZINC000191357638 496736931 /nfs/dbraw/zinc/73/69/31/496736931.db2.gz YAJOTFGOHSRSRH-FCHUYYIVSA-N 2 0 358.526 3.333 20 0 FGADRP CC(C)[NH+]1CCN(CCC[N@H+](C)Cc2ccc(OC(F)F)cc2)CC1 ZINC000191384635 496744625 /nfs/dbraw/zinc/74/46/25/496744625.db2.gz XLNVGNSBBZYPCQ-UHFFFAOYSA-N 2 0 355.473 3.136 20 0 FGADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CC[C@H]3[C@@H](CCC[NH+]3C)C2)C1 ZINC000247005719 496749514 /nfs/dbraw/zinc/74/95/14/496749514.db2.gz PVCBGWVGGGXNGO-QYZOEREBSA-N 2 0 364.578 3.013 20 0 FGADRP CC(C)[NH+]1CCN(CCC[N@H+](C)Cc2ccc(Br)s2)CC1 ZINC000191408731 496753718 /nfs/dbraw/zinc/75/37/18/496753718.db2.gz JTHSPJYMIBRPOM-UHFFFAOYSA-N 2 0 374.392 3.359 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CC[NH+](Cc3ccccc3)[C@H]2C)C[C@@H]1C ZINC000574835231 505864460 /nfs/dbraw/zinc/86/44/60/505864460.db2.gz BLCFLOULYFEXIL-JYAXBFRTSA-N 2 0 372.557 3.164 20 0 FGADRP C[C@H]([NH3+])CCC(=O)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000277420392 496767740 /nfs/dbraw/zinc/76/77/40/496767740.db2.gz ANQAQQOMTWSZFU-SFHVURJKSA-N 2 0 366.509 3.075 20 0 FGADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCc1nnc2n1CCCCC2 ZINC000268748619 496772693 /nfs/dbraw/zinc/77/26/93/496772693.db2.gz ISLSTFOLDCLMII-ICSRJNTNSA-N 2 0 367.541 3.047 20 0 FGADRP C[C@H](C(=O)Nc1ccc(OC(F)F)cc1)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000247123120 496785498 /nfs/dbraw/zinc/78/54/98/496785498.db2.gz AMTCPVIPTWDBMB-CPUCHLNUSA-N 2 0 367.440 3.031 20 0 FGADRP C[C@H]([NH2+]Cc1ccc(CN2CC[NH+](C)CC2)cc1)c1ccc2c(c1)COC2 ZINC000268784696 496785616 /nfs/dbraw/zinc/78/56/16/496785616.db2.gz JVQQPICEOCVKNY-SFHVURJKSA-N 2 0 365.521 3.315 20 0 FGADRP COc1ccc(C[C@@H](C)[NH2+]CCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1OC ZINC000247132206 496788197 /nfs/dbraw/zinc/78/81/97/496788197.db2.gz VOHQKRUNAVKFIL-KURKYZTESA-N 2 0 364.530 3.114 20 0 FGADRP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)N[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000273405754 496797404 /nfs/dbraw/zinc/79/74/04/496797404.db2.gz HPHRKVBOYJAQKQ-OPYAIIAOSA-N 2 0 372.557 3.021 20 0 FGADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H](C)[C@H](C)c2nc3ccccc3s2)CC1 ZINC000247213872 496806655 /nfs/dbraw/zinc/80/66/55/496806655.db2.gz XDWIWDYFSMHRIL-IKGGRYGDSA-N 2 0 360.571 3.404 20 0 FGADRP O[C@H]1CC[N@H+](Cc2ccccc2C[NH2+]Cc2ccc(OCC3CC3)cc2)C1 ZINC000191580971 496820951 /nfs/dbraw/zinc/82/09/51/496820951.db2.gz KZPKERVYJKYOCW-QFIPXVFZSA-N 2 0 366.505 3.332 20 0 FGADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cccc(-n2cncn2)c1 ZINC000268940885 496829349 /nfs/dbraw/zinc/82/93/49/496829349.db2.gz SSDPYNHKWGCNDX-AVRDEDQJSA-N 2 0 361.493 3.268 20 0 FGADRP C[C@H](OC[C@H](O)C[N@H+](C)[C@@H]1CCN(C)[C@H](C)C1)c1ccc(Cl)cc1 ZINC000247335797 496837946 /nfs/dbraw/zinc/83/79/46/496837946.db2.gz NELHAWVUPSXVPB-WTLGNFPFSA-N 2 0 354.922 3.193 20 0 FGADRP CCN(CCC[NH+](C)C)C(=O)NCc1ccccc1C[NH+]1CCC(C)CC1 ZINC000188584351 496840392 /nfs/dbraw/zinc/84/03/92/496840392.db2.gz NGGZPHZHFBSCGT-UHFFFAOYSA-N 2 0 374.573 3.402 20 0 FGADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC[C@H](C)Cn2ccnc2C)C1 ZINC000247370810 496846224 /nfs/dbraw/zinc/84/62/24/496846224.db2.gz FATMIALSCXDFQC-FUHWJXTLSA-N 2 0 363.550 3.027 20 0 FGADRP CCC[N@H+](C)C[C@@H]1CC[NH+](C[C@@H](O)CO[C@H](C)c2ccc(Cl)cc2)C1 ZINC000247401193 496852245 /nfs/dbraw/zinc/85/22/45/496852245.db2.gz XHRIIOYZKGPJEU-FUHIMQAGSA-N 2 0 368.949 3.442 20 0 FGADRP C[C@@H](C(=O)Nc1nc2ccccc2s1)N1CC[C@@H](C)[C@H](n2ccnc2)C1 ZINC000247536771 496883242 /nfs/dbraw/zinc/88/32/42/496883242.db2.gz JULSAARRJYKMRV-IJEWVQPXSA-N 2 0 369.494 3.403 20 0 FGADRP CC[C@H](C)[N@H+](C)CCNC(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC000247649733 496900359 /nfs/dbraw/zinc/90/03/59/496900359.db2.gz WGAZACHGCMNQTR-XSLAUPDRSA-N 2 0 372.557 3.212 20 0 FGADRP C[C@H]1CN(Cc2ccccn2)CC[C@H]1[NH2+]Cc1ccc(F)c(C[NH+](C)C)c1 ZINC000247930225 496928485 /nfs/dbraw/zinc/92/84/85/496928485.db2.gz BXTLTVBQVYKUTM-HTAPYJJXSA-N 2 0 370.516 3.283 20 0 FGADRP C[C@H](CNC(=O)NCCC[N@H+](C)C1CCCCC1)[NH+]1CCC[C@@H](C)C1 ZINC000195606599 496953547 /nfs/dbraw/zinc/95/35/47/496953547.db2.gz FOIQZIAMONSGDK-QZTJIDSGSA-N 2 0 352.567 3.061 20 0 FGADRP Cc1c([C@@H](C)[NH2+]CCCC[N@@H+]2CCC[C@H]2CO)cnn1-c1ccc(F)cc1 ZINC000248149351 496963848 /nfs/dbraw/zinc/96/38/48/496963848.db2.gz QNXSPFKGLLDJDH-UZLBHIALSA-N 2 0 374.504 3.207 20 0 FGADRP C[C@@H]1C[C@@H]([NH2+][C@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)CCN1C ZINC000248181449 496968732 /nfs/dbraw/zinc/96/87/32/496968732.db2.gz WMXSVZGUSGDPNN-JLSDUUJJSA-N 2 0 355.448 3.352 20 0 FGADRP CC(C)COC[C@H](O)C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000248198231 496971917 /nfs/dbraw/zinc/97/19/17/496971917.db2.gz XTXGMKOZSAVOCA-BHDDXSALSA-N 2 0 360.542 3.006 20 0 FGADRP C[C@H](CNC(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)[NH+]1CCC[C@@H](C)C1 ZINC000248395683 496994315 /nfs/dbraw/zinc/99/43/15/496994315.db2.gz GOJCDJDXQUDMGQ-AKHDSKFASA-N 2 0 364.578 3.059 20 0 FGADRP O=C(CC[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21)N1CCCCC1 ZINC000248405312 496998378 /nfs/dbraw/zinc/99/83/78/496998378.db2.gz REDGMXHISWQIRE-YPAWHYETSA-N 2 0 369.553 3.279 20 0 FGADRP O=C(CC[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)N1CCCCC1 ZINC000248405308 496998711 /nfs/dbraw/zinc/99/87/11/496998711.db2.gz REDGMXHISWQIRE-BHIFYINESA-N 2 0 369.553 3.279 20 0 FGADRP c1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH2+]C[C@@H]4CC[NH+](C5CC5)C4)[C@H]3C2)cc1 ZINC000248408783 496999930 /nfs/dbraw/zinc/99/99/30/496999930.db2.gz VWQRCBDBJJCKRV-SQOUVECCSA-N 3 0 353.554 3.361 20 0 FGADRP O[C@@H]1CC[N@H+](Cc2ccccc2C[NH2+][C@@H]2CCCOc3ccccc32)C1 ZINC000248434007 497010459 /nfs/dbraw/zinc/01/04/59/497010459.db2.gz DPMCZOXKCSPJJB-TZIWHRDSSA-N 2 0 352.478 3.257 20 0 FGADRP OC[C@@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCCC2 ZINC000248442761 497012605 /nfs/dbraw/zinc/01/26/05/497012605.db2.gz LBQGOBCCJWYXJT-CBPXPLCBSA-N 2 0 370.537 3.081 20 0 FGADRP O[C@H](CCc1ccccc1)C[NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000569212895 505879576 /nfs/dbraw/zinc/87/95/76/505879576.db2.gz YYCNXKNWXVEVAL-DHIUTWEWSA-N 2 0 352.522 3.134 20 0 FGADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H](O)COc2ccccc2C(F)(F)F)[C@@H](C)C1 ZINC000248460831 497020724 /nfs/dbraw/zinc/02/07/24/497020724.db2.gz OSSYWKASULIJAE-ZOBUZTSGSA-N 2 0 374.447 3.107 20 0 FGADRP O=C(NCC[NH+]1CCCC1)c1ccc(C[NH2+][C@@H]2CCC23CCCC3)cc1 ZINC000189168424 497030717 /nfs/dbraw/zinc/03/07/17/497030717.db2.gz WZIZBXDNYPZYBH-HXUWFJFHSA-N 2 0 355.526 3.325 20 0 FGADRP CC[NH+](CC)CCOc1ccc(C[NH2+][C@@H](C)c2ccnn2C)cc1OC ZINC000278268973 497057768 /nfs/dbraw/zinc/05/77/68/497057768.db2.gz OVJAPHZMCNPNGW-INIZCTEOSA-N 2 0 360.502 3.000 20 0 FGADRP C[NH+]1CCC([C@@H]2CCN(C(=O)c3ccc(C[NH+]4CCCCC4)cc3)C2)CC1 ZINC000270226076 497081157 /nfs/dbraw/zinc/08/11/57/497081157.db2.gz NKVBFIJTDGNEAB-JOCHJYFZSA-N 2 0 369.553 3.476 20 0 FGADRP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)NC[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000248707257 497083565 /nfs/dbraw/zinc/08/35/65/497083565.db2.gz AZDPPZKOIIREEC-RTWAWAEBSA-N 2 0 372.557 3.024 20 0 FGADRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)C1CC[NH+](C2CC2)CC1 ZINC000248741549 497095023 /nfs/dbraw/zinc/09/50/23/497095023.db2.gz RAXOCTJDWHXZQP-OEWRPIJISA-N 2 0 369.553 3.134 20 0 FGADRP c1c(CC[NH2+][C@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)nc2n1CCS2 ZINC000274432725 497097055 /nfs/dbraw/zinc/09/70/55/497097055.db2.gz WBOFHUZSWNXKFS-IHPCNDPISA-N 2 0 368.550 3.032 20 0 FGADRP C[C@H](C[NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1)c1ccccc1 ZINC000248830441 497112512 /nfs/dbraw/zinc/11/25/12/497112512.db2.gz HHVUCOPQBXTEEM-XMSQKQJNSA-N 2 0 365.521 3.277 20 0 FGADRP C[C@H]([NH2+]CC1CC[NH+](C2CC2)CC1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000278436226 497113406 /nfs/dbraw/zinc/11/34/06/497113406.db2.gz JYEWCPRYWVBFRP-ZDUSSCGKSA-N 2 0 372.481 3.208 20 0 FGADRP CC1CC[NH+](Cc2ccccc2CNC(=O)c2ccc(C[NH3+])cc2)CC1 ZINC000236631508 497123475 /nfs/dbraw/zinc/12/34/75/497123475.db2.gz FNFCPGCNBVMTSU-UHFFFAOYSA-N 2 0 351.494 3.307 20 0 FGADRP CC(C)[C@H](CNC(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2)[N@@H+]1CCc2ccccc2C1 ZINC000236656586 497128504 /nfs/dbraw/zinc/12/85/04/497128504.db2.gz AUFXALHOBNEZID-IFTBVCKDSA-N 2 0 369.553 3.106 20 0 FGADRP CC(C)[C@H](CNC(=O)C[C@@H](C)[C@@H]1CCC[NH2+]C1)[N@@H+]1CCc2ccccc2C1 ZINC000236659489 497129169 /nfs/dbraw/zinc/12/91/69/497129169.db2.gz XVIZDCKCHBBOCX-UZKOGDIHSA-N 2 0 371.569 3.211 20 0 FGADRP CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21 ZINC000274647498 497137545 /nfs/dbraw/zinc/13/75/45/497137545.db2.gz CFJIBCYWAREWIX-SJLPKXTDSA-N 2 0 373.541 3.258 20 0 FGADRP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)C2CC[NH+](C3CC3)CC2)CC1 ZINC000192557840 497148853 /nfs/dbraw/zinc/14/88/53/497148853.db2.gz ZRZGFBGCEGBBFY-KRWDZBQOSA-N 2 0 355.526 3.203 20 0 FGADRP Cc1c[nH+]ccc1NCc1cccc(OCC[N@@H+](C)C2CCOCC2)c1 ZINC000192562308 497149906 /nfs/dbraw/zinc/14/99/06/497149906.db2.gz CYDAHEIJMQWJOS-UHFFFAOYSA-N 2 0 355.482 3.492 20 0 FGADRP C[NH+](C)CCOc1ccc(NC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)cc1Cl ZINC000236975167 497174262 /nfs/dbraw/zinc/17/42/62/497174262.db2.gz XZJPCNMRTNBIGH-COXVUDFISA-N 2 0 365.905 3.140 20 0 FGADRP CC[NH+]1CCN(c2ccc(NC(=O)C[C@@H](C)[C@H]3CCC[NH2+]C3)c(C)c2)CC1 ZINC000237009535 497179606 /nfs/dbraw/zinc/17/96/06/497179606.db2.gz ZEMHVADXUBNORF-MJGOQNOKSA-N 2 0 372.557 3.101 20 0 FGADRP C[N@H+](Cc1ccccc1CNC(=O)[C@H]1CC12CC[NH2+]CC2)C1CCCCC1 ZINC000237152624 497198325 /nfs/dbraw/zinc/19/83/25/497198325.db2.gz JDUGKENBXJIZDQ-OAQYLSRUSA-N 2 0 369.553 3.457 20 0 FGADRP COc1ccccc1[C@@H](CNC(=O)C[C@H]([NH3+])c1ccccc1)[NH+]1CCCC1 ZINC000237199596 497203202 /nfs/dbraw/zinc/20/32/02/497203202.db2.gz YPWANWBWTXLENA-VQTJNVASSA-N 2 0 367.493 3.038 20 0 FGADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CC[C@H](OCCCc3ccccc3)C2)CC1 ZINC000192754552 497204914 /nfs/dbraw/zinc/20/49/14/497204914.db2.gz UMJFCYQNZPNMDC-QHCPKHFHSA-N 2 0 373.585 3.126 20 0 FGADRP O=C(Nc1cccc2c1CN(c1ccccn1)C2)C1CC[NH+](C2CC2)CC1 ZINC000278758413 497210324 /nfs/dbraw/zinc/21/03/24/497210324.db2.gz NHJWAFZKODVQFM-UHFFFAOYSA-N 2 0 362.477 3.415 20 0 FGADRP CC(C)[NH+]1CCN(CCC[NH2+]C2(c3ccc(F)cc3F)CCC2)CC1 ZINC000192788361 497214119 /nfs/dbraw/zinc/21/41/19/497214119.db2.gz AJXNARFHPSZAEY-UHFFFAOYSA-N 2 0 351.485 3.350 20 0 FGADRP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)C[C@H]([NH3+])c2ccccc2)CC1 ZINC000237408302 497231793 /nfs/dbraw/zinc/23/17/93/497231793.db2.gz YTVALSUGNPLEQN-UTKZUKDTSA-N 2 0 351.494 3.418 20 0 FGADRP C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)[C@@H](C[NH3+])c3ccccc3)cc2)C1 ZINC000237475819 497242812 /nfs/dbraw/zinc/24/28/12/497242812.db2.gz BZKSUCXRBQXGBL-GCJKJVERSA-N 2 0 365.521 3.277 20 0 FGADRP COc1cc(C[NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc2c1OCCO2 ZINC000192933712 497250802 /nfs/dbraw/zinc/25/08/02/497250802.db2.gz HXZHKRMPWGAYMD-SFHVURJKSA-N 2 0 368.477 3.078 20 0 FGADRP C[C@H](CC(=O)Nc1ccccc1NC1CC[NH+](C)CC1)[C@H]1CCC[NH2+]C1 ZINC000237536609 497252034 /nfs/dbraw/zinc/25/20/34/497252034.db2.gz XCLSPHCOZLLDGB-SJORKVTESA-N 2 0 358.530 3.157 20 0 FGADRP C[C@@H]1C[C@@H](NC(=O)C[C@@H]([NH3+])c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000237567687 497256652 /nfs/dbraw/zinc/25/66/52/497256652.db2.gz YXQOGGWEODRCTO-JRGCBEDISA-N 2 0 351.494 3.246 20 0 FGADRP C[C@@](CO)([NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1)c1ccccc1 ZINC000237653976 497269414 /nfs/dbraw/zinc/26/94/14/497269414.db2.gz HCUMFYLZOPKHOP-QFIPXVFZSA-N 2 0 354.494 3.159 20 0 FGADRP C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N2CC[C@@H](C[NH+](C)C)C2)C1 ZINC000251503016 497274561 /nfs/dbraw/zinc/27/45/61/497274561.db2.gz FRXIQEGGSRVAKM-MOPGFXCFSA-N 2 0 372.557 3.012 20 0 FGADRP [NH3+][C@@H]1CCCCCC[C@@H]1C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000237861476 497304098 /nfs/dbraw/zinc/30/40/98/497304098.db2.gz ZCFTVGGKZBTVRO-RBUKOAKNSA-N 2 0 363.571 3.374 20 0 FGADRP [NH3+][C@@H]1CCCCCC[C@H]1C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000237888893 497308289 /nfs/dbraw/zinc/30/82/89/497308289.db2.gz HQAMYJRRGSQOED-WOJBJXKFSA-N 2 0 361.505 3.204 20 0 FGADRP [NH3+][C@H](CCC(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)c1ccccc1 ZINC000237924685 497314999 /nfs/dbraw/zinc/31/49/99/497314999.db2.gz AGANJRYKJXTELD-LEWJYISDSA-N 2 0 351.494 3.247 20 0 FGADRP O=C(NCCC[NH+](Cc1ccccc1)Cc1ccccc1)C1CC[NH2+]CC1 ZINC000238023058 497329526 /nfs/dbraw/zinc/32/95/26/497329526.db2.gz HCIWJRDAKGHBDN-UHFFFAOYSA-N 2 0 365.521 3.195 20 0 FGADRP O=C(NCc1ccccc1C[NH+]1CCCCCC1)[C@H]1CC12CC[NH2+]CC2 ZINC000238030393 497330213 /nfs/dbraw/zinc/33/02/13/497330213.db2.gz MJXZMVJEMPLEAA-HXUWFJFHSA-N 2 0 355.526 3.069 20 0 FGADRP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](CCCc2ccc3c(c2)CCO3)CC1 ZINC000193242477 497332661 /nfs/dbraw/zinc/33/26/61/497332661.db2.gz QHODBSMULQFQEK-WOJBJXKFSA-N 2 0 371.569 3.045 20 0 FGADRP C[C@@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)c1ccc(-n2cccn2)cc1 ZINC000271459230 497354661 /nfs/dbraw/zinc/35/46/61/497354661.db2.gz HCJSXLZAOUVATK-QGZVFWFLSA-N 2 0 365.481 3.059 20 0 FGADRP Cc1ccc([C@H](CCn2cncn2)[NH2+]C2CC[NH+](CC(C)C)CC2)cc1 ZINC000275577645 497370094 /nfs/dbraw/zinc/37/00/94/497370094.db2.gz BQYIPBNIKHZUKH-NRFANRHFSA-N 2 0 355.530 3.428 20 0 FGADRP C[C@@H](CNC(=O)NCCC[N@H+](C)C1CCCCC1)[NH+]1CCC[C@H](C)C1 ZINC000255955878 497380404 /nfs/dbraw/zinc/38/04/04/497380404.db2.gz FOIQZIAMONSGDK-ROUUACIJSA-N 2 0 352.567 3.061 20 0 FGADRP C[NH+](C)CCNC(=O)c1ccc(C[NH2+][C@H]2CCCc3sccc32)cc1 ZINC000271556866 497382176 /nfs/dbraw/zinc/38/21/76/497382176.db2.gz WXZZXUUJCGYJRA-SFHVURJKSA-N 2 0 357.523 3.207 20 0 FGADRP CC[C@@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)c1ccc(OC)c(OC)c1 ZINC000271583703 497390894 /nfs/dbraw/zinc/39/08/94/497390894.db2.gz XGYDVZPBZZVAPQ-GOSISDBHSA-N 2 0 373.497 3.280 20 0 FGADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCC(=O)Nc2cc(Cl)ccc2OC)[C@@H](C)C1 ZINC000245414095 497395035 /nfs/dbraw/zinc/39/50/35/497395035.db2.gz CBCSJPHYZLMAGG-WMLDXEAASA-N 2 0 367.921 3.339 20 0 FGADRP CC(C)[NH+]1CCC(C(=O)NC[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)CC1 ZINC000245417808 497396074 /nfs/dbraw/zinc/39/60/74/497396074.db2.gz GIAIVFPDWIFOIA-IEBWSBKVSA-N 2 0 363.571 3.368 20 0 FGADRP CC[N@@H+]1CC[C@H]([NH+](C)CCCCCn2nnc(-c3ccccc3)n2)[C@@H](C)C1 ZINC000245432604 497401764 /nfs/dbraw/zinc/40/17/64/497401764.db2.gz OSIHHLKGPFCWEK-ICSRJNTNSA-N 2 0 370.545 3.173 20 0 FGADRP O=C([C@H]1CCCC[N@@H+]1Cc1ccccc1)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000245438400 497406537 /nfs/dbraw/zinc/40/65/37/497406537.db2.gz SCQLRMZBTRYQRB-FCHUYYIVSA-N 2 0 369.553 3.376 20 0 FGADRP CCC[N@H+](CC)CCNC(=O)N(C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000245438849 497407199 /nfs/dbraw/zinc/40/71/99/497407199.db2.gz YQNWSCWHFIRWGE-PZJWPPBQSA-N 2 0 374.573 3.413 20 0 FGADRP C[NH+](C)CCc1ccccc1NC(=O)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000275701086 497408037 /nfs/dbraw/zinc/40/80/37/497408037.db2.gz SSEDAOWZPODDLM-GOSISDBHSA-N 2 0 358.530 3.130 20 0 FGADRP C[C@@H]1CN(Cc2ccccn2)CC[C@H]1[NH2+]C[C@H]1COC2(CCCCCC2)O1 ZINC000245555982 497453781 /nfs/dbraw/zinc/45/37/81/497453781.db2.gz CYWOQMTVTHZTGC-HLAWJBBLSA-N 2 0 373.541 3.348 20 0 FGADRP C[C@@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+]CC1=CC[N@H+](C)CC1 ZINC000271817115 497459299 /nfs/dbraw/zinc/45/92/99/497459299.db2.gz BPKOZTDSUPUQHQ-ZDUSSCGKSA-N 2 0 371.403 3.154 20 0 FGADRP CC(C)[C@H](CNC(=O)C[N@@H+]1CC[C@H](C)[C@H](n2ccnc2)C1)c1ccccc1 ZINC000245579423 497463969 /nfs/dbraw/zinc/46/39/69/497463969.db2.gz IKAAKSAMMZGFKU-SESVDKBCSA-N 2 0 368.525 3.322 20 0 FGADRP C[C@]1(CN2CCC[N@H+](Cc3ccc(C(F)(F)F)cc3)CC2)CC[NH2+]C1 ZINC000261884140 497467537 /nfs/dbraw/zinc/46/75/37/497467537.db2.gz ROIDENKPZPJJHF-SFHVURJKSA-N 2 0 355.448 3.213 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)[C@H]2CC23CC[NH2+]CC3)C1 ZINC000261904167 497472520 /nfs/dbraw/zinc/47/25/20/497472520.db2.gz FLAKUQLPBYAPPE-LVCYWYKZSA-N 2 0 369.553 3.170 20 0 FGADRP C[NH+](C)CCc1ccc(CNC(=O)Nc2ccccc2CC[NH+](C)C)cc1 ZINC000276021120 497482187 /nfs/dbraw/zinc/48/21/87/497482187.db2.gz CIPATJZQNADBJI-UHFFFAOYSA-N 2 0 368.525 3.217 20 0 FGADRP C[C@@H](NC(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+])[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261966813 497484078 /nfs/dbraw/zinc/48/40/78/497484078.db2.gz AXQUUYUONHIPPG-JDZQLOALSA-N 2 0 369.553 3.167 20 0 FGADRP CC[NH+]1CCN(c2ccc(-c3nc(-c4ccc(C[NH3+])cc4)no3)cc2)CC1 ZINC000261984059 497487783 /nfs/dbraw/zinc/48/77/83/497487783.db2.gz JMJIEXVNEVFSFE-UHFFFAOYSA-N 2 0 363.465 3.004 20 0 FGADRP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000193840855 497497798 /nfs/dbraw/zinc/49/77/98/497497798.db2.gz ZMCLLGCLWFQMFR-KRWDZBQOSA-N 2 0 352.567 3.203 20 0 FGADRP CC(C)(C)N1C[C@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1=O ZINC000245681768 497499620 /nfs/dbraw/zinc/49/96/20/497499620.db2.gz JAPXEFKGTJDIBG-YSTOQKLRSA-N 2 0 355.526 3.171 20 0 FGADRP Fc1cc(F)cc(Oc2ccc(C[N@@H+]3CC[C@H](N4CC[NH2+]CC4)C3)cc2)c1 ZINC000262086841 497506418 /nfs/dbraw/zinc/50/64/18/497506418.db2.gz GEPBKPDWBKCLCO-IBGZPJMESA-N 2 0 373.447 3.237 20 0 FGADRP CC[N@H+](CCC(=O)N1CC[NH2+]CC1)[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000262203899 497523325 /nfs/dbraw/zinc/52/33/25/497523325.db2.gz SOMJFEOYRRWJOZ-QFIPXVFZSA-N 2 0 369.484 3.059 20 0 FGADRP C[C@@H](CCc1ccc(C(F)(F)F)cc1)[NH2+][C@@H](C)CN1CC[NH+](C)CC1 ZINC000193982617 497539268 /nfs/dbraw/zinc/53/92/68/497539268.db2.gz AJQJGFWCIRPGNY-HOTGVXAUSA-N 2 0 357.464 3.252 20 0 FGADRP CCC[N@@H+]1CC[C@@H](CNC(=O)NCC(C)(C)[NH2+][C@H](C)c2ccccc2)C1 ZINC000245806223 497543457 /nfs/dbraw/zinc/54/34/57/497543457.db2.gz METSPRBWRLLYNA-MSOLQXFVSA-N 2 0 360.546 3.147 20 0 FGADRP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N(C)CC[C@H]1CCCC[NH+]1C ZINC000245838031 497547466 /nfs/dbraw/zinc/54/74/66/497547466.db2.gz CYWAUCPRMAEFKS-UYAOXDASSA-N 2 0 360.546 3.023 20 0 FGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H](C)c2cc(Br)cs2)CC1 ZINC000194025636 497552033 /nfs/dbraw/zinc/55/20/33/497552033.db2.gz ILCACSWHDJUCQQ-KGLIPLIRSA-N 2 0 374.392 3.435 20 0 FGADRP C[C@H]([NH2+]C(C)(C)CNC(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21)c1ccccc1 ZINC000245885009 497560492 /nfs/dbraw/zinc/56/04/92/497560492.db2.gz BNKZYXLSHOGREO-YSIASYRMSA-N 2 0 372.557 3.242 20 0 FGADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCC[C@@H]3C[NH+](C)CC[C@H]32)C1 ZINC000245901590 497564758 /nfs/dbraw/zinc/56/47/58/497564758.db2.gz DSOVUVYXQCGSSL-GUDVDZBRSA-N 2 0 364.578 3.013 20 0 FGADRP Cc1nn(C)c2ncc(C[NH2+][C@@H](C)[C@H]3CC[N@H+](Cc4ccccc4)C3)cc12 ZINC000272232139 497572275 /nfs/dbraw/zinc/57/22/75/497572275.db2.gz URPGBWVNWFIPSJ-JXFKEZNVSA-N 2 0 363.509 3.277 20 0 FGADRP CCC[NH+]1CC[C@H](CNc2nc(NC[C@H]3CC[N@@H+](CCC)C3)ncc2C)C1 ZINC000245965297 497585717 /nfs/dbraw/zinc/58/57/17/497585717.db2.gz DWNBXZCUAINQMH-RTBURBONSA-N 2 0 374.577 3.073 20 0 FGADRP C[C@H](C(=O)N1CCC[N@H+](CC2CCCCC2)CC1)[C@H]([NH3+])c1ccccc1 ZINC000262685383 497599489 /nfs/dbraw/zinc/59/94/89/497599489.db2.gz XRQNXYHFOUZVRI-RXVVDRJESA-N 2 0 357.542 3.437 20 0 FGADRP CCC[C@](C)([NH3+])C(=O)NCCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000262717003 497608062 /nfs/dbraw/zinc/60/80/62/497608062.db2.gz VWONZUIKWNTXGR-QFIPXVFZSA-N 2 0 359.558 3.355 20 0 FGADRP CC[C@H](C)[N@H+](C)CCNC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000246111134 497625318 /nfs/dbraw/zinc/62/53/18/497625318.db2.gz JQVGMWZEYOXJAM-OALUTQOASA-N 2 0 352.567 3.014 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccsc1 ZINC000246128640 497631105 /nfs/dbraw/zinc/63/11/05/497631105.db2.gz IVMUIYNJFYANIB-RYQLBKOJSA-N 2 0 366.575 3.255 20 0 FGADRP C[C@@H](NC(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1)C(C)(C)C[NH+](C)C ZINC000246159823 497642060 /nfs/dbraw/zinc/64/20/60/497642060.db2.gz DWANTWZCNXRCPY-QRVBRYPASA-N 2 0 366.594 3.259 20 0 FGADRP C[C@H](CC[NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1)c1ccccc1 ZINC000194367152 497645742 /nfs/dbraw/zinc/64/57/42/497645742.db2.gz VQQABOKOXWBWPR-GOSISDBHSA-N 2 0 353.510 3.261 20 0 FGADRP CC[N@H+](CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1)[C@@H](C)C(C)C ZINC000194406854 497656250 /nfs/dbraw/zinc/65/62/50/497656250.db2.gz RBDFTLZRRPLLGS-IBGZPJMESA-N 2 0 359.558 3.442 20 0 FGADRP CCOC(=O)c1ccc2c(c1)nc(CN(C)C[C@H]1CCC[N@H+](C)C1)n2CC ZINC000581154496 505921665 /nfs/dbraw/zinc/92/16/65/505921665.db2.gz JCNGNWIQWULHEJ-INIZCTEOSA-N 2 0 372.513 3.007 20 0 FGADRP CC(C)c1ccccc1OC[C@H](O)C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000246276178 497681056 /nfs/dbraw/zinc/68/10/56/497681056.db2.gz APNBHYNMCDBESV-UZKOGDIHSA-N 2 0 372.553 3.498 20 0 FGADRP C[C@@H]1C[C@H](NC(=O)NCC2(C)CC[NH+](C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000272672771 497697686 /nfs/dbraw/zinc/69/76/86/497697686.db2.gz PYJKHURBSPSPKH-UYAOXDASSA-N 2 0 372.557 3.071 20 0 FGADRP C[C@@H]([NH2+]CCc1nnc2n1CCCCC2)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272695456 497704553 /nfs/dbraw/zinc/70/45/53/497704553.db2.gz WYNPOTABAQXYOO-UYAOXDASSA-N 2 0 367.541 3.047 20 0 FGADRP C[C@@H]1C[C@H](NC(=O)c2sccc2CN(C)C)C[N@@H+]1Cc1ccccc1 ZINC000268224079 497704952 /nfs/dbraw/zinc/70/49/52/497704952.db2.gz QZECDHRFPNVMJN-QAPCUYQASA-N 2 0 357.523 3.203 20 0 FGADRP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1ccc2c(c1)COC2 ZINC000272736568 497717025 /nfs/dbraw/zinc/71/70/25/497717025.db2.gz JURRQJUNMSECQB-KSFYIVLOSA-N 2 0 352.478 3.134 20 0 FGADRP C[NH+](C)[C@@H]1CCC[N@H+](CCC(=O)Nc2ccc(Br)cc2)CC1 ZINC000277033826 497721592 /nfs/dbraw/zinc/72/15/92/497721592.db2.gz BIDLCJUTWOOQAF-MRXNPFEDSA-N 2 0 368.319 3.194 20 0 FGADRP C[C@]1([NH3+])CCCC[C@H]1C(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000263229866 497737515 /nfs/dbraw/zinc/73/75/15/497737515.db2.gz NHUCOQAEPKTNLY-ACIOBRDBSA-N 2 0 369.553 3.409 20 0 FGADRP C[C@]1([NH3+])CCCC[C@@H]1C(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000263229868 497737563 /nfs/dbraw/zinc/73/75/63/497737563.db2.gz NHUCOQAEPKTNLY-AKIFATBCSA-N 2 0 369.553 3.409 20 0 FGADRP COc1ccc([C@H](CNC(=O)[C@H]2CCCC[C@@]2(C)[NH3+])[NH+]2CCCCC2)cc1 ZINC000263293535 497751511 /nfs/dbraw/zinc/75/15/11/497751511.db2.gz VZPCPABEFGIYLO-RZUBCFFCSA-N 2 0 373.541 3.246 20 0 FGADRP CC[NH+](CC)Cc1cccc(CNC(=O)N(C)[C@H]2CC[N@H+](CC)C[C@@H]2C)c1 ZINC000246500709 497755072 /nfs/dbraw/zinc/75/50/72/497755072.db2.gz SPKRYGBVDSHYIV-RXVVDRJESA-N 2 0 374.573 3.400 20 0 FGADRP COc1cc(Cl)c(C)cc1NC(=O)CN(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000246511020 497758589 /nfs/dbraw/zinc/75/85/89/497758589.db2.gz BJALMBKTPUCZQF-KBPBESRZSA-N 2 0 353.894 3.010 20 0 FGADRP C[C@@H]1C[C@H](NC(=O)N(C)CC[C@H]2CCCC[NH+]2C)C[N@@H+]1Cc1ccccc1 ZINC000246515025 497759838 /nfs/dbraw/zinc/75/98/38/497759838.db2.gz KBBLEVXWIPYYMP-HLAWJBBLSA-N 2 0 372.557 3.165 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1)c1ccccc1 ZINC000246542106 497769522 /nfs/dbraw/zinc/76/95/22/497769522.db2.gz ASOILZCKVPQXTP-PCCBWWKXSA-N 2 0 372.557 3.195 20 0 FGADRP C[NH+](C)[C@H]1CCCN(Cc2csc(-c3ccc4c(c3)OCO4)n2)CC1 ZINC000277197906 497772721 /nfs/dbraw/zinc/77/27/21/497772721.db2.gz MIJKLLHVEGFHQG-INIZCTEOSA-N 2 0 359.495 3.455 20 0 FGADRP C[C@H]([NH2+][C@@H]1CCCC1(C)C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000191298223 497773750 /nfs/dbraw/zinc/77/37/50/497773750.db2.gz QCYMKUCHVGJXME-FXAWDEMLSA-N 2 0 357.542 3.324 20 0 FGADRP CCN(C(=O)[C@H](C)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)c1ccccc1 ZINC000246570765 497778133 /nfs/dbraw/zinc/77/81/33/497778133.db2.gz LJCDORISMIFISR-UEXGIBASSA-N 2 0 355.526 3.377 20 0 FGADRP CC[N@@H+]1CC[C@@H]([NH2+]CCCc2cc3c(cc(OC)cc3OC)[nH]2)[C@@H](C)C1 ZINC000246842173 497815547 /nfs/dbraw/zinc/81/55/47/497815547.db2.gz BRMFYPAEARAAQQ-HNAYVOBHSA-N 2 0 359.514 3.438 20 0 FGADRP C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000578429650 505937776 /nfs/dbraw/zinc/93/77/76/505937776.db2.gz QQSZEOJFRHBKRD-QRVBRYPASA-N 2 0 374.529 3.075 20 0 FGADRP CN(C(=O)[C@@H]1CCC[C@H]([NH3+])C1)C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000364260247 497866284 /nfs/dbraw/zinc/86/62/84/497866284.db2.gz VCYXLQMPEWJSGX-DQKSBWHRSA-N 2 0 355.526 3.158 20 0 FGADRP CC(C)(C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1)[C@H]([NH3+])c1ccccc1 ZINC000569452765 505939277 /nfs/dbraw/zinc/93/92/77/505939277.db2.gz QVPRCIXSNYFZHA-NHCUHLMSSA-N 2 0 365.521 3.493 20 0 FGADRP CC1(NC(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)CC[NH2+]CC1 ZINC000569457739 505939981 /nfs/dbraw/zinc/93/99/81/505939981.db2.gz RGNFJYFQRANEDA-UHFFFAOYSA-N 2 0 358.530 3.004 20 0 FGADRP CC[NH+](CC)CCOc1ccccc1CNC(=O)[C@H]([NH3+])c1ccccc1C ZINC000578439585 505940049 /nfs/dbraw/zinc/94/00/49/505940049.db2.gz KGDZWBZTDBAJLW-OAQYLSRUSA-N 2 0 369.509 3.032 20 0 FGADRP CN1C(=O)CCc2cc(C[NH2+]C[C@H]3CC[N@H+](C)[C@H]3c3cccs3)ccc21 ZINC000364311391 497892731 /nfs/dbraw/zinc/89/27/31/497892731.db2.gz BLLQXOKITLVMMI-DYESRHJHSA-N 2 0 369.534 3.440 20 0 FGADRP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccc(OCc2nccn2C)cc1 ZINC000296029852 497897337 /nfs/dbraw/zinc/89/73/37/497897337.db2.gz SSOIXLWUDFOFKZ-UXDRXVOSSA-N 2 0 354.498 3.275 20 0 FGADRP C[C@H]1CCC[N@H+](CCCC[NH2+][C@@H]2CCS(=O)(=O)c3c(F)cccc32)C1 ZINC000364363445 497921186 /nfs/dbraw/zinc/92/11/86/497921186.db2.gz MCRCEFMGSIPKQX-MAUKXSAKSA-N 2 0 368.518 3.146 20 0 FGADRP O=C(NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)C1CC[NH+](C2CC2)CC1 ZINC000292275482 497949965 /nfs/dbraw/zinc/94/99/65/497949965.db2.gz QKTLELRLBIMBIF-FQEVSTJZSA-N 2 0 369.553 3.279 20 0 FGADRP Cc1cc(NCc2cccc(C(=O)NCC[NH+](C)C)c2)c2ccccc2[nH+]1 ZINC000301153373 497973860 /nfs/dbraw/zinc/97/38/60/497973860.db2.gz OPNQJLUDDNGXOT-UHFFFAOYSA-N 2 0 362.477 3.447 20 0 FGADRP C[C@@H]([NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1cncc(Br)c1 ZINC000578523920 505960551 /nfs/dbraw/zinc/96/05/51/505960551.db2.gz VLQYBRRDMKKGOC-QLFBSQMISA-N 2 0 370.335 3.384 20 0 FGADRP C[C@@H](NC(=O)c1ccc(CC[NH+](C)C)cc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000581320022 505960589 /nfs/dbraw/zinc/96/05/89/505960589.db2.gz QWJAXFYJIWFYHC-XLIONFOSSA-N 2 0 357.542 3.174 20 0 FGADRP CC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2CC(=O)N(C)C)c1ccc(F)cc1F ZINC000285205554 498021341 /nfs/dbraw/zinc/02/13/41/498021341.db2.gz SYEIRDZNSVPHNN-IHBAFOEMSA-N 2 0 365.468 3.089 20 0 FGADRP CC(C)[C@H]1OCCC[C@@H]1Nc1nccc(N2CCC3(CCC[N@@H+]3C)CC2)n1 ZINC000330112682 498025868 /nfs/dbraw/zinc/02/58/68/498025868.db2.gz CEUQHCFCKNSVSW-PKOBYXMFSA-N 2 0 373.545 3.157 20 0 FGADRP C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC000285257373 498035487 /nfs/dbraw/zinc/03/54/87/498035487.db2.gz LXPHBBCHGFQCMJ-KRWDZBQOSA-N 2 0 354.498 3.451 20 0 FGADRP CC[NH+]1CCC(CC[NH2+]C[C@@H](O)Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000575377326 505969613 /nfs/dbraw/zinc/96/96/13/505969613.db2.gz LKVZSNGJXOQVOV-SFHVURJKSA-N 2 0 358.448 3.320 20 0 FGADRP CC[NH+]1CCN(CCCC[NH2+]Cc2cccc(F)c2Br)CC1 ZINC000296499960 498068114 /nfs/dbraw/zinc/06/81/14/498068114.db2.gz QXYQZPWBAFZZFC-UHFFFAOYSA-N 2 0 372.326 3.096 20 0 FGADRP Cc1nn(C(C)C)cc1C[NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000281297596 498094224 /nfs/dbraw/zinc/09/42/24/498094224.db2.gz IZWPWJAEWAZLEO-UHFFFAOYSA-N 2 0 356.514 3.019 20 0 FGADRP COc1cc(C[N@H+](C)CC2CC[NH+](C)CC2)cc(OC)c1OCC(F)F ZINC000289301420 498096849 /nfs/dbraw/zinc/09/68/49/498096849.db2.gz IFXGPDPKRURWTP-UHFFFAOYSA-N 2 0 372.456 3.121 20 0 FGADRP Cc1cc([C@H](C)[NH2+]CCCN2CC[NH+](C)CC2)sc1Br ZINC000285478914 498100348 /nfs/dbraw/zinc/10/03/48/498100348.db2.gz OKYIMJMURJEFBZ-ZDUSSCGKSA-N 2 0 360.365 3.107 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)[C@H](C[NH3+])c2ccccc2)CC1 ZINC000572486954 505981499 /nfs/dbraw/zinc/98/14/99/505981499.db2.gz QMLJUVFSONDCEB-WIYYLYMNSA-N 2 0 357.542 3.232 20 0 FGADRP C[C@@H](NC(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1)[C@H]1CCC[NH2+]C1 ZINC000572498802 505983157 /nfs/dbraw/zinc/98/31/57/505983157.db2.gz OBKCFHXFNICKRN-NQIIRXRSSA-N 2 0 372.557 3.106 20 0 FGADRP COc1cccc(NC(=O)[C@@H](c2ccccc2)[NH+]2CCC([C@H](C)[NH3+])CC2)c1 ZINC000578652616 505990347 /nfs/dbraw/zinc/99/03/47/505990347.db2.gz JOWIVMQLDPGVNE-HRAATJIYSA-N 2 0 367.493 3.434 20 0 FGADRP CCC[N@H+](C)[C@@H](CNC(=O)NC[C@@H]1CCC[NH+]1C)c1ccc(Cl)cc1 ZINC000578660273 505991521 /nfs/dbraw/zinc/99/15/21/505991521.db2.gz YTMOEWUOQUGAOA-ROUUACIJSA-N 2 0 366.937 3.116 20 0 FGADRP O[C@@H]1CC[N@H+](Cc2ccccc2C[NH2+][C@H](c2cncc(F)c2)C2CC2)C1 ZINC000281517028 498178607 /nfs/dbraw/zinc/17/86/07/498178607.db2.gz HOBXHGJCUMRCGA-RTWAWAEBSA-N 2 0 355.457 3.028 20 0 FGADRP Cc1c([C@H](C)[NH2+]CCOCC[NH+](C)C)cnn1-c1cccc(Cl)c1 ZINC000572538401 505993481 /nfs/dbraw/zinc/99/34/81/505993481.db2.gz FGNCRTWOCWQMIJ-AWEZNQCLSA-N 2 0 350.894 3.063 20 0 FGADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)NC[C@@H](c1ccc(SC)cc1)[NH+](C)C ZINC000569699053 505996768 /nfs/dbraw/zinc/99/67/68/505996768.db2.gz HUHVZOHBLZMXDL-YOEHRIQHSA-N 2 0 351.560 3.294 20 0 FGADRP CC[NH+](CC)Cc1cccc(C[NH2+]CCC(=O)Nc2ccc(C)cn2)c1 ZINC000569715945 506000189 /nfs/dbraw/zinc/00/01/89/506000189.db2.gz VMLROBQDQWZCQV-UHFFFAOYSA-N 2 0 354.498 3.350 20 0 FGADRP C[C@H]1C[C@@H]([NH2+]CCc2ccc(OCC[NH+]3CCCC3)cc2)c2nccn21 ZINC000296883387 498235906 /nfs/dbraw/zinc/23/59/06/498235906.db2.gz OHQGNPFXXSLRPZ-FXAWDEMLSA-N 2 0 354.498 3.196 20 0 FGADRP C[C@@H]([NH2+][C@H]1CCO[C@@H]1c1cccnc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000289686315 498248694 /nfs/dbraw/zinc/24/86/94/498248694.db2.gz ZXRYZPIIIXMHTM-HLRQEUIKSA-N 2 0 351.494 3.412 20 0 FGADRP C[C@@H]([NH2+][C@@H](C)c1ccc2c(c1)OCC(=O)N2)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000285990250 498260764 /nfs/dbraw/zinc/26/07/64/498260764.db2.gz GZFYWWXVFCHEGJ-ZMSDIMECSA-N 2 0 357.498 3.321 20 0 FGADRP C[C@@H]1C[C@@H](CC[NH2+]C[C@@H](O)COc2ccccc2)C[N@@H+]1Cc1ccccc1 ZINC000572594892 506006625 /nfs/dbraw/zinc/00/66/25/506006625.db2.gz ISFDZAKIFZDANY-CEMLEFRQSA-N 2 0 368.521 3.317 20 0 FGADRP COc1cc(OC)cc(N2CC[C@H](C[NH2+][C@@H]3C[C@H]([NH3+])c4ccccc43)C2)c1 ZINC000572593344 506006638 /nfs/dbraw/zinc/00/66/38/506006638.db2.gz KORUVMHLMSALKX-KBJGYGKASA-N 2 0 367.493 3.265 20 0 FGADRP [NH3+][C@@H](CC(=O)NCC1CC[NH+](CCc2ccccc2)CC1)c1ccccc1 ZINC000360404360 498271809 /nfs/dbraw/zinc/27/18/09/498271809.db2.gz BRKHQBXNVLORKI-QFIPXVFZSA-N 2 0 365.521 3.147 20 0 FGADRP C[C@@H](C[NH2+][C@@H]1CCCOc2cc(Cl)ccc21)CN1CC[NH+](C)CC1 ZINC000361050741 498338923 /nfs/dbraw/zinc/33/89/23/498338923.db2.gz VTARBEUVICHMFV-MAUKXSAKSA-N 2 0 351.922 3.027 20 0 FGADRP CC[NH+]1CCN(CCCC[NH2+][C@H](COC)c2cccc(Cl)c2)CC1 ZINC000289925183 498355710 /nfs/dbraw/zinc/35/57/10/498355710.db2.gz VJJHMBKNWUAQSW-LJQANCHMSA-N 2 0 353.938 3.035 20 0 FGADRP COc1ccc([C@@H]2CCCC[C@H]2[NH2+][C@H](C)CN2CC[NH+](C)CC2)cc1F ZINC000361245267 498364803 /nfs/dbraw/zinc/36/48/03/498364803.db2.gz FDECPGYBXNPOPU-IMFGXOCKSA-N 2 0 363.521 3.086 20 0 FGADRP C[C@H]([NH2+]Cc1ccc(F)c(C[NH+](C)C)c1)c1ccccc1-n1ccnn1 ZINC000286351124 498373106 /nfs/dbraw/zinc/37/31/06/498373106.db2.gz YTGQSBGRKYJLBU-HNNXBMFYSA-N 2 0 353.445 3.319 20 0 FGADRP CC(C)[NH2+]CC(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000569826217 506025987 /nfs/dbraw/zinc/02/59/87/506025987.db2.gz RJHWYSJMMUMGHR-CRAIPNDOSA-N 2 0 371.447 3.203 20 0 FGADRP CC[NH+](CC)CCN(Cc1ccccc1)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000297468669 498461168 /nfs/dbraw/zinc/46/11/68/498461168.db2.gz KOSRFEWHVMHREX-SEJPIABJSA-N 2 0 372.557 3.165 20 0 FGADRP CC[N@H+](Cc1ccc(C(=O)Nc2cnc3c(c2)C[C@H]([NH3+])CC3)cc1)C1CC1 ZINC000581669224 506040811 /nfs/dbraw/zinc/04/08/11/506040811.db2.gz JQFOQPCPURZMOF-GOSISDBHSA-N 2 0 364.493 3.134 20 0 FGADRP C[NH+](C)CCNC(=O)c1ccc(C[NH2+]Cc2ccc3occc3c2)cc1 ZINC000286737999 498493422 /nfs/dbraw/zinc/49/34/22/498493422.db2.gz XZJFUTHANLPIOL-UHFFFAOYSA-N 2 0 351.450 3.014 20 0 FGADRP CC[C@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2)[C@@H]1CCOC1 ZINC000581681332 506043723 /nfs/dbraw/zinc/04/37/23/506043723.db2.gz KSKPQHNIMRYIBG-FSSWDIPSSA-N 2 0 372.553 3.320 20 0 FGADRP COc1ccc([C@@H](OC)[C@@H](C)[NH2+]C2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000297585703 498501534 /nfs/dbraw/zinc/50/15/34/498501534.db2.gz ITUWBDGXRUTCGZ-IERDGZPVSA-N 2 0 355.482 3.425 20 0 FGADRP O=C(Nc1cccc(CC[NH+]2CCCC2)c1)c1cnn(-c2ccncc2)c1 ZINC000297600647 498507017 /nfs/dbraw/zinc/50/70/17/498507017.db2.gz UXKLZTTXIGBGAE-UHFFFAOYSA-N 2 0 361.449 3.158 20 0 FGADRP COCCC[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)c1ccc(F)cc1 ZINC000282473365 498525762 /nfs/dbraw/zinc/52/57/62/498525762.db2.gz WLXMWZQAJXOMHX-VQTJNVASSA-N 2 0 352.494 3.120 20 0 FGADRP C[C@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)[C@H](C)c1nc2ccccc2s1 ZINC000282482403 498529528 /nfs/dbraw/zinc/52/95/28/498529528.db2.gz WXQXDOXALVWMPG-HOTGVXAUSA-N 2 0 360.571 3.404 20 0 FGADRP c1ccc(COc2ccc(C[NH+]3CCC([C@H]4CC[NH2+]C4)CC3)cc2)nc1 ZINC000569927747 506049975 /nfs/dbraw/zinc/04/99/75/506049975.db2.gz JJYJDLKTTCMVAK-FQEVSTJZSA-N 2 0 351.494 3.482 20 0 FGADRP Cc1ccc([C@H](CNC(=O)N[C@H](C)C[N@H+](C)C(C)C)[NH+]2CCCC2)cc1 ZINC000578928008 506053337 /nfs/dbraw/zinc/05/33/37/506053337.db2.gz RRVJNPCIMIEJSM-QUCCMNQESA-N 2 0 360.546 3.160 20 0 FGADRP CN1CC[C@@H]([NH2+]C2CCN(c3cc[nH+]cc3)CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000297782913 498566959 /nfs/dbraw/zinc/56/69/59/498566959.db2.gz WISRIBDLMMMQSL-RTWAWAEBSA-N 2 0 372.463 3.364 20 0 FGADRP COc1cc(Br)c(CN(C)[C@@H]2CC[N@H+](C)C[C@@H]2C)cc1OC ZINC000290540101 498590290 /nfs/dbraw/zinc/59/02/90/498590290.db2.gz REUHYBSYBZVDBR-SWLSCSKDSA-N 2 0 371.319 3.238 20 0 FGADRP COc1nccnc1C[NH2+]C[C@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000294109963 498592394 /nfs/dbraw/zinc/59/23/94/498592394.db2.gz CVDHKNUABOLTNN-CXAGYDPISA-N 2 0 364.852 3.060 20 0 FGADRP c1sc(CC[NH2+]C2CCN(c3cc[nH+]cc3)CC2)nc1-c1ccncc1 ZINC000294223978 498626025 /nfs/dbraw/zinc/62/60/25/498626025.db2.gz NSIJBVWXGVYLPK-UHFFFAOYSA-N 2 0 365.506 3.401 20 0 FGADRP CC(C)C[N@@H+]1CC[C@H](C[NH2+]C[C@@H](O)CO[C@H](C)c2ccc(Cl)cc2)C1 ZINC000581809676 506067456 /nfs/dbraw/zinc/06/74/56/506067456.db2.gz PUNPGPMSHAOHLL-MBOZVWFJSA-N 2 0 368.949 3.346 20 0 FGADRP CC(C)[NH+]1CCC(NC(=O)C[N@H+](C)CC23CC4CC(CC(C4)C2)C3)CC1 ZINC000303513198 498685138 /nfs/dbraw/zinc/68/51/38/498685138.db2.gz BTTUZKBREWMKHH-UHFFFAOYSA-N 2 0 361.574 3.124 20 0 FGADRP O=C(CC[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1)Nc1cccc(C(F)(F)F)c1 ZINC000572881716 506074007 /nfs/dbraw/zinc/07/40/07/506074007.db2.gz FNHPDYFFGXFZRD-GJZGRUSLSA-N 2 0 369.431 3.356 20 0 FGADRP C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)C[N@@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000365904853 498692576 /nfs/dbraw/zinc/69/25/76/498692576.db2.gz DGQWPCGSYVPNFT-GOEBONIOSA-N 2 0 360.889 3.462 20 0 FGADRP c1ccc(CN2CCC([NH2+]C3CCN(c4cc[nH+]cc4)CC3)CC2)cc1 ZINC000298233448 498705062 /nfs/dbraw/zinc/70/50/62/498705062.db2.gz BOLYTCDSBBPEIP-UHFFFAOYSA-N 2 0 350.510 3.305 20 0 FGADRP COc1cccc(N2CC[C@@H](C[NH2+]C3CCN(c4cc[nH+]cc4)CC3)C2)c1 ZINC000298248319 498708562 /nfs/dbraw/zinc/70/85/62/498708562.db2.gz DDLNAGJBOFIXKT-SFHVURJKSA-N 2 0 366.509 3.175 20 0 FGADRP Cc1cc2ncn(C[C@@H](O)C[NH2+]CCc3ccc(F)cc3F)c2cc1C ZINC000576138077 506085508 /nfs/dbraw/zinc/08/55/08/506085508.db2.gz ZDFOVKZTGUIFHF-KRWDZBQOSA-N 2 0 359.420 3.125 20 0 FGADRP Cc1cccc(C)c1OC[C@@H](O)C[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000312690832 498760729 /nfs/dbraw/zinc/76/07/29/498760729.db2.gz QJWWSXHKXVYCDD-YADHBBJMSA-N 2 0 368.521 3.155 20 0 FGADRP C[C@@H](C[NH2+]C1CCN(C2CC[NH+](C)CC2)CC1)c1cc(F)cc(F)c1 ZINC000294710417 498779231 /nfs/dbraw/zinc/77/92/31/498779231.db2.gz BGOMAXZWORPLPP-HNNXBMFYSA-N 2 0 351.485 3.217 20 0 FGADRP CCC[NH+](CCC)CCCC(=O)NC[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000363399399 498800754 /nfs/dbraw/zinc/80/07/54/498800754.db2.gz YCPMUMXEYLTDSA-NRFANRHFSA-N 2 0 374.573 3.312 20 0 FGADRP C[C@@H](CNC(=O)[C@@H]1CCn2c(cnc2C2CCCCC2)C1)C[NH+]1CCCC1 ZINC000332826236 498805130 /nfs/dbraw/zinc/80/51/30/498805130.db2.gz KIIJAUQKLGPSMP-PKOBYXMFSA-N 2 0 372.557 3.341 20 0 FGADRP C[C@@H](C[NH2+]C[C@@H](O)COc1ccc(Cl)c(Cl)c1)C[NH+]1CCCC1 ZINC000320864006 498811375 /nfs/dbraw/zinc/81/13/75/498811375.db2.gz JIBYRTVROFQFJC-UONOGXRCSA-N 2 0 361.313 3.055 20 0 FGADRP CC(C)C(=O)Nc1ccc(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000298551307 498811356 /nfs/dbraw/zinc/81/13/56/498811356.db2.gz UUFFMCFEYVCXDN-UHFFFAOYSA-N 2 0 352.482 3.435 20 0 FGADRP COc1ccc(CC[C@@H](C)[NH2+]CC2(SC)CC[NH+](C)CC2)cc1O ZINC000576200536 506100357 /nfs/dbraw/zinc/10/03/57/506100357.db2.gz PVMANZZVQUAOHH-OAHLLOKOSA-N 2 0 352.544 3.139 20 0 FGADRP Cc1ccccc1[C@H]([NH3+])C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000294916222 498848796 /nfs/dbraw/zinc/84/87/96/498848796.db2.gz CJKHDGMPZPLHSQ-IBGZPJMESA-N 2 0 357.523 3.085 20 0 FGADRP C[NH+](C)CCCOc1cnccc1C[NH2+][C@H]1CCCc2ccc(O)cc21 ZINC000291244487 498859958 /nfs/dbraw/zinc/85/99/58/498859958.db2.gz OWQNSTUIIATULE-FQEVSTJZSA-N 2 0 355.482 3.285 20 0 FGADRP COc1ccc([C@H]([NH2+]Cc2ccncc2OCC[NH+](C)C)C2CC2)cc1 ZINC000570123406 506095722 /nfs/dbraw/zinc/09/57/22/506095722.db2.gz JWDBQWPTTNMALB-OAQYLSRUSA-N 2 0 355.482 3.272 20 0 FGADRP C[NH+](Cc1cc(Cl)cc(C[N@H+](C)C[C@H]2CCOC2)c1)C[C@@H]1CCOC1 ZINC000295046562 498891040 /nfs/dbraw/zinc/89/10/40/498891040.db2.gz OHMYHZSZQVYUAL-CALCHBBNSA-N 2 0 366.933 3.277 20 0 FGADRP CC[NH+]1CCC(N(C(=O)c2ccc(C[NH+]3CCCC3)cc2)C2CC2)CC1 ZINC000363629780 498914749 /nfs/dbraw/zinc/91/47/49/498914749.db2.gz GJDISIBJNPUIBC-UHFFFAOYSA-N 2 0 355.526 3.371 20 0 FGADRP CC[NH+]1CCC(CNC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000579186957 506113083 /nfs/dbraw/zinc/11/30/83/506113083.db2.gz SIPAETYRUJBBDL-WIYYLYMNSA-N 2 0 372.557 3.071 20 0 FGADRP Cc1c(F)cccc1NC(=O)CC[NH2+]Cc1ccc(CC[NH+](C)C)cc1 ZINC000576272923 506118714 /nfs/dbraw/zinc/11/87/14/506118714.db2.gz TXRWWGJNCOBNQN-UHFFFAOYSA-N 2 0 357.473 3.357 20 0 FGADRP C[NH+]1CCC2(CC1)C[C@H](N[C@H]1CC[N@@H+]3CCC[C@H]3C1)c1ccccc1O2 ZINC000366467132 498940287 /nfs/dbraw/zinc/94/02/87/498940287.db2.gz BFJCCOSBIXQIGQ-BJLQDIEVSA-N 2 0 355.526 3.191 20 0 FGADRP C[N@@H+]1CCC[C@@H](CC[NH2+]C[C@@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000576271963 506117941 /nfs/dbraw/zinc/11/79/41/506117941.db2.gz MYWKKUDTVFXHAP-DZGCQCFKSA-N 2 0 361.313 3.055 20 0 FGADRP C[C@H](NC(=O)N1CCC(CC[NH+](C)C)CC1)[C@@H](c1ccccc1)[NH+](C)C ZINC000288185871 498962839 /nfs/dbraw/zinc/96/28/39/498962839.db2.gz PXFRACJNOKSGFN-PXNSSMCTSA-N 2 0 360.546 3.051 20 0 FGADRP COc1cc(C[NH2+][C@@H](C)C[C@@H](C)[NH3+])cc(OC)c1OCc1ccccc1 ZINC000582062757 506124984 /nfs/dbraw/zinc/12/49/84/506124984.db2.gz ZVDDSOPVOLLVCL-CVEARBPZSA-N 2 0 358.482 3.498 20 0 FGADRP C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@@H]1[NH2+]CCCOCCc1ccccc1 ZINC000363814249 499007290 /nfs/dbraw/zinc/00/72/90/499007290.db2.gz FDQMZXLPEATLIX-FCEUIQTBSA-N 2 0 360.542 3.115 20 0 FGADRP c1ccc(C[N@@H+]2CCCO[C@@H](CN3CC[NH+](C4CCCCC4)CC3)C2)cc1 ZINC000284092160 499046628 /nfs/dbraw/zinc/04/66/28/499046628.db2.gz MARFVNBHECRQIK-QHCPKHFHSA-N 2 0 371.569 3.228 20 0 FGADRP CCc1nccn1[C@H]1CCCN(CC(=O)Nc2ccc3c(c2)CCC3)C1 ZINC000329164968 499060588 /nfs/dbraw/zinc/06/05/88/499060588.db2.gz HDPSZKMODIQLPX-IBGZPJMESA-N 2 0 352.482 3.210 20 0 FGADRP C[C@H]1C[C@H](N(C)C(=O)c2ccc3c[nH+]cn3c2)CC[N@@H+]1Cc1ccccc1 ZINC000284329257 499090095 /nfs/dbraw/zinc/09/00/95/499090095.db2.gz LJXKWVBXNFCHJU-FXAWDEMLSA-N 2 0 362.477 3.459 20 0 FGADRP CC(C)Oc1ccccc1[C@H](C)[NH2+]CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000576326256 506131208 /nfs/dbraw/zinc/13/12/08/506131208.db2.gz VZXHSBHYOKKNNF-KRWDZBQOSA-N 2 0 361.530 3.113 20 0 FGADRP C[NH+]1CCC(Oc2ccc(C[NH2+][C@@H]3[C@H]4CCCO[C@@H]4C3(C)C)cc2)CC1 ZINC000284451463 499109459 /nfs/dbraw/zinc/10/94/59/499109459.db2.gz UJERVRGIKLZGJE-NJYVYQBISA-N 2 0 358.526 3.453 20 0 FGADRP CCN1CCC[C@@H](C[N@H+](C)C[C@H](O)c2ccc(C)cc2)[C@@H]1c1cnn(C)c1 ZINC000372531514 499140944 /nfs/dbraw/zinc/14/09/44/499140944.db2.gz FKEJIBLIDLOONR-ILWGZMRPSA-N 2 0 370.541 3.167 20 0 FGADRP C(=C/C[NH2+][C@H]1CCCC12CCOCC2)\C[NH2+][C@@H]1CCCC12CCOCC2 ZINC000367110890 499150481 /nfs/dbraw/zinc/15/04/81/499150481.db2.gz ZKJLCDLRRTXIPW-FWDLARJDSA-N 2 0 362.558 3.420 20 0 FGADRP Cc1nccn1CCCC[N@@H+]1CCC[C@@H](C(=O)Nc2ncccc2C)C1 ZINC000367209841 499161786 /nfs/dbraw/zinc/16/17/86/499161786.db2.gz WCRXLEDXIHKKTR-GOSISDBHSA-N 2 0 355.486 3.026 20 0 FGADRP C[N@H+](C[C@@H]1CC12CC[NH+](C[C@@H](O)c1ccc(F)cc1F)CC2)C1CC1 ZINC000367209987 499162326 /nfs/dbraw/zinc/16/23/26/499162326.db2.gz YLAALSIWICMWBU-IFXJQAMLSA-N 2 0 350.453 3.195 20 0 FGADRP CC(C)CC(=O)N1CCC(C[N@@H+]2CCC[C@@H](C[NH+]3CCCCC3)C2)CC1 ZINC000367259981 499169978 /nfs/dbraw/zinc/16/99/78/499169978.db2.gz YXAWBNHMPFLAAV-NRFANRHFSA-N 2 0 363.590 3.469 20 0 FGADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)NC2CC[NH+](CC3CCCCC3)CC2)C1 ZINC000370113936 499182571 /nfs/dbraw/zinc/18/25/71/499182571.db2.gz SMKSKEFGQHYPBI-IBGZPJMESA-N 2 0 364.578 3.014 20 0 FGADRP C[C@H](CCNC(=O)N1CCCC12CC[NH+](C)CC2)[N@H+](C)Cc1ccccc1 ZINC000367467499 499202858 /nfs/dbraw/zinc/20/28/58/499202858.db2.gz PTFUJLSAJBUGMR-LJQANCHMSA-N 2 0 372.557 3.167 20 0 FGADRP CC[C@@H]([NH2+]Cc1c(C)nn(C)c1N1CCC[N@H+](C)CC1)c1cccc(C)c1 ZINC000367619451 499218471 /nfs/dbraw/zinc/21/84/71/499218471.db2.gz WLSUIVLKXLMYRA-OAQYLSRUSA-N 2 0 369.557 3.420 20 0 FGADRP Cc1ccc(-c2cc(C[N@H+]3CCC[C@@H](CN4CC[NH+](C)CC4)C3)on2)cc1 ZINC000367772778 499232414 /nfs/dbraw/zinc/23/24/14/499232414.db2.gz RLMSYFMPRDWNBT-IBGZPJMESA-N 2 0 368.525 3.109 20 0 FGADRP CC[N@@H+]1CC[C@H](NC[C@@H]2CCC[NH+](C)[C@H]2c2ccc(OC)cc2)[C@@H](C)C1 ZINC000370620191 499236049 /nfs/dbraw/zinc/23/60/49/499236049.db2.gz MHIMCYVKNPKATC-UDDWMFPDSA-N 2 0 359.558 3.398 20 0 FGADRP CCC[NH+]1CCC([NH2+][C@@H]2CCN(Cc3cnc(C)s3)C[C@@H]2C)CC1 ZINC000370619509 499236282 /nfs/dbraw/zinc/23/62/82/499236282.db2.gz AOTSFIHFMPJJLL-HNAYVOBHSA-N 2 0 350.576 3.126 20 0 FGADRP C[NH+]1CCC(N2CC[C@@H]([NH2+][C@H]3CC4(CCC4)Oc4ccccc43)C2)CC1 ZINC000370636825 499238425 /nfs/dbraw/zinc/23/84/25/499238425.db2.gz SDTTZOUADGPKBP-XLIONFOSSA-N 2 0 355.526 3.191 20 0 FGADRP O=C(Nc1ccc(-c2ncc3n2CCCC3)cc1)[C@H]1C[NH+]2CCC1CC2 ZINC000370671666 499242734 /nfs/dbraw/zinc/24/27/34/499242734.db2.gz WEZWIDDXAGDJGP-IBGZPJMESA-N 2 0 350.466 3.167 20 0 FGADRP C[C@H]1CN(Cc2ccccc2OC(F)(F)F)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000370696471 499245160 /nfs/dbraw/zinc/24/51/60/499245160.db2.gz BZXYTWBPRKILBD-DOTOQJQBSA-N 2 0 371.447 3.043 20 0 FGADRP C[C@H](NC(=O)NCCCC[NH+]1CCCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000367932437 499246984 /nfs/dbraw/zinc/24/69/84/499246984.db2.gz RZXHESKHUDHUEN-FPOVZHCZSA-N 2 0 372.557 3.072 20 0 FGADRP CC(C)[NH+]1CCN([C@H]2CC[N@H+](CCn3ccc4cc(Cl)ccc43)C2)CC1 ZINC000368121524 499266659 /nfs/dbraw/zinc/26/66/59/499266659.db2.gz CUZGFZKIZZXEIA-FQEVSTJZSA-N 2 0 374.960 3.395 20 0 FGADRP Cc1noc(C2CCC([NH2+]CC3(N4CCSCC4)CCCC3)CC2)n1 ZINC000368182275 499272031 /nfs/dbraw/zinc/27/20/31/499272031.db2.gz DTBJKRJGJIYVPB-UHFFFAOYSA-N 2 0 364.559 3.355 20 0 FGADRP Cn1cc2c(n1)CCC[C@H]2[NH2+][C@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21 ZINC000368184740 499272407 /nfs/dbraw/zinc/27/24/07/499272407.db2.gz LLDMRHZKILGETD-QUCCMNQESA-N 2 0 366.509 3.375 20 0 FGADRP CN1CC[C@H](C[NH2+]Cc2c[nH]c3nccnc23)[C@H]1c1cccc(Cl)c1 ZINC000368213348 499274485 /nfs/dbraw/zinc/27/44/85/499274485.db2.gz ADPVDSTZEDRVFZ-RDTXWAMCSA-N 2 0 355.873 3.346 20 0 FGADRP C(CC[NH+]1CCC([C@H]2CCOC2)CC1)C[NH+]1CCC([C@H]2CCOC2)CC1 ZINC000368263501 499279444 /nfs/dbraw/zinc/27/94/44/499279444.db2.gz KXZNHDHWFZPMNA-VXKWHMMOSA-N 2 0 364.574 3.264 20 0 FGADRP C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000368297317 499283088 /nfs/dbraw/zinc/28/30/88/499283088.db2.gz WJPRBGZNYOJMQK-OWSLCNJRSA-N 2 0 351.535 3.238 20 0 FGADRP CC1(C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC[NH+](Cc2ccccc2)CC1 ZINC000368380949 499290692 /nfs/dbraw/zinc/29/06/92/499290692.db2.gz QREJAFOLQBYEKQ-VQTJNVASSA-N 2 0 355.526 3.032 20 0 FGADRP C[C@@H]1C[NH+](Cc2ccc(C[NH2+][C@@H]3CCC34CCOCC4)cc2)C[C@@H](C)O1 ZINC000368528984 499304881 /nfs/dbraw/zinc/30/48/81/499304881.db2.gz WTNSEMVMPQCLNM-DBXWQHBBSA-N 2 0 358.526 3.345 20 0 FGADRP C[C@H]1C[C@@H](C(=O)N2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)CC[N@@H+]1C ZINC000368687122 499321777 /nfs/dbraw/zinc/32/17/77/499321777.db2.gz IORBPWQTAAVGBL-IEIRFRATSA-N 2 0 369.553 3.231 20 0 FGADRP C[N@@H+](Cc1ccc(N2CCCC2)nc1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000368814456 499335574 /nfs/dbraw/zinc/33/55/74/499335574.db2.gz SBZJSJBODYRKHN-UHFFFAOYSA-N 2 0 365.525 3.425 20 0 FGADRP C[N@@H+]1CC[C@@H](C[NH2+]C2CCN(Cc3ccncc3)CC2)[C@H]1c1ccccc1 ZINC000371520632 499337276 /nfs/dbraw/zinc/33/72/76/499337276.db2.gz VCSVBLSFLNPOFK-JTHBVZDNSA-N 2 0 364.537 3.329 20 0 FGADRP Cn1cc(C[NH2+]C[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)c(-c2cccnc2)n1 ZINC000371722121 499358864 /nfs/dbraw/zinc/35/88/64/499358864.db2.gz CSOQWAJVXJQZFL-SIKLNZKXSA-N 2 0 361.493 3.265 20 0 FGADRP C[NH+](C)Cc1cccc(C(=O)NC[C@H]2CC[N@H+](C)[C@H]2c2cccs2)c1 ZINC000371762620 499362866 /nfs/dbraw/zinc/36/28/66/499362866.db2.gz MMGMBTPDIPGFSP-IEBWSBKVSA-N 2 0 357.523 3.233 20 0 FGADRP CCC[NH+]1CCN(C2CC[NH+](Cc3cc(-c4ccccc4)no3)CC2)CC1 ZINC000369153093 499371409 /nfs/dbraw/zinc/37/14/09/499371409.db2.gz BIBBBDZTRJYUGT-UHFFFAOYSA-N 2 0 368.525 3.334 20 0 FGADRP COc1cccc(CC2CC[NH+](CCCN3CC[NH+](C(C)C)CC3)CC2)c1 ZINC000369197124 499376499 /nfs/dbraw/zinc/37/64/99/499376499.db2.gz HJGVSGMLGLXPJU-UHFFFAOYSA-N 2 0 373.585 3.366 20 0 FGADRP CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)C(=O)N(C)C1CCCC1 ZINC000369214824 499378186 /nfs/dbraw/zinc/37/81/86/499378186.db2.gz MBADTLATNXNQIG-UHFFFAOYSA-N 2 0 364.578 3.109 20 0 FGADRP C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@H]1[NH2+]CCCCC[NH+]1CCCCC1 ZINC000372066027 499395246 /nfs/dbraw/zinc/39/52/46/499395246.db2.gz VHSRFKBZAGFBCL-NJDAHSKKSA-N 2 0 351.579 3.122 20 0 FGADRP Cc1coc2ccc(NC(=O)N3CCN(C4CC[NH+](C)CC4)[C@H](C)C3)cc12 ZINC000372282512 499416274 /nfs/dbraw/zinc/41/62/74/499416274.db2.gz NRXMZQYVFGHNTJ-MRXNPFEDSA-N 2 0 370.497 3.373 20 0 FGADRP Cc1ccc(NC(=O)CC[NH2+][C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)nc1 ZINC000372348721 499423847 /nfs/dbraw/zinc/42/38/47/499423847.db2.gz QSRVMQPSTUMWDZ-AZUAARDMSA-N 2 0 366.509 3.219 20 0 FGADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC([C@@H]2CCCCCN2C(=O)C2CC2)CC1 ZINC000372424840 499433103 /nfs/dbraw/zinc/43/31/03/499433103.db2.gz IMVIRSMFJMGYQC-RTWAWAEBSA-N 2 0 361.574 3.364 20 0 FGADRP CC1(C(=O)NC2CC([NH+]3CCCCC3)C2)CC[NH+](Cc2ccccc2)CC1 ZINC000373005363 499447032 /nfs/dbraw/zinc/44/70/32/499447032.db2.gz YGHFUDFDIDGWMA-UHFFFAOYSA-N 2 0 369.553 3.422 20 0 FGADRP C[NH+](C)Cc1ccccc1C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000373033440 499448230 /nfs/dbraw/zinc/44/82/30/499448230.db2.gz WGDXBZYEKYCVGD-KRWDZBQOSA-N 2 0 371.550 3.452 20 0 FGADRP COCCOc1ccc([C@H](C)[NH2+]C[C@H]2CCCn3cc(C)nc32)cc1OC ZINC000378184014 499488102 /nfs/dbraw/zinc/48/81/02/499488102.db2.gz NDGHPJMRMXECNQ-FUHWJXTLSA-N 2 0 373.497 3.454 20 0 FGADRP CCc1cc(N2CC[C@@H](N(C)Cc3noc(C)n3)C2)c2ccccc2[nH+]1 ZINC000378225157 499492013 /nfs/dbraw/zinc/49/20/13/499492013.db2.gz BRPQFKOOAVHSQC-MRXNPFEDSA-N 2 0 351.454 3.199 20 0 FGADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2Cc1ncc(-c2cccc(F)c2)o1 ZINC000378250262 499494478 /nfs/dbraw/zinc/49/44/78/499494478.db2.gz SPZHAPYASFMLPL-KZNAEPCWSA-N 2 0 359.445 3.164 20 0 FGADRP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2Cc1ncc(-c2cccc(F)c2)o1 ZINC000378250258 499494545 /nfs/dbraw/zinc/49/45/45/499494545.db2.gz SPZHAPYASFMLPL-FGTMMUONSA-N 2 0 359.445 3.164 20 0 FGADRP Cc1nn(C)c(N2CCC[N@H+](C)CC2)c1C[NH2+][C@@H](c1ccccc1)C1CC1 ZINC000378431810 499516154 /nfs/dbraw/zinc/51/61/54/499516154.db2.gz OUJHPASBIKXHNQ-NRFANRHFSA-N 2 0 367.541 3.111 20 0 FGADRP C[C@@H]1C[C@H](NC(=O)[C@@H]([NH3+])CC2CCCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000379676788 499542631 /nfs/dbraw/zinc/54/26/31/499542631.db2.gz AWNBERMDCQDTBD-UIFIKXQLSA-N 2 0 357.542 3.453 20 0 FGADRP C[C@@H](CNCc1ccc(Br)c(Br)c1)C[NH+](C)C ZINC000380101584 499543322 /nfs/dbraw/zinc/54/33/22/499543322.db2.gz XKJRLSLGPVSBRS-JTQLQIEISA-N 2 0 364.125 3.499 20 0 FGADRP C[NH2+]CCc1ccccc1C(=O)N1CCC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000382765297 499546180 /nfs/dbraw/zinc/54/61/80/499546180.db2.gz RSCHOORJDWIVSN-LJQANCHMSA-N 2 0 365.521 3.185 20 0 FGADRP C[NH+]1CCC(C)(C[NH2+]Cc2cc(Br)c3c(c2)OCCO3)CC1 ZINC000389032583 499552242 /nfs/dbraw/zinc/55/22/42/499552242.db2.gz OWPXCRVTGDKUJC-UHFFFAOYSA-N 2 0 369.303 3.042 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H](O)COc1ccc(F)cc1 ZINC000397965997 499565566 /nfs/dbraw/zinc/56/55/66/499565566.db2.gz GXUDZLJECPARRU-NQSCKRDGSA-N 2 0 372.484 3.066 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H](O)COc1ccc(F)cc1 ZINC000397965996 499565633 /nfs/dbraw/zinc/56/56/33/499565633.db2.gz GXUDZLJECPARRU-AGHHOFFYSA-N 2 0 372.484 3.066 20 0 FGADRP CC(C)[NH+]1CCN([C@@H]2CCN(Cc3coc(-c4cccs4)n3)C2)CC1 ZINC000375901419 499566578 /nfs/dbraw/zinc/56/65/78/499566578.db2.gz BYUGJOFASAAGOT-QGZVFWFLSA-N 2 0 360.527 3.003 20 0 FGADRP CC[NH+](CC)CCCNC(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000410334798 499655721 /nfs/dbraw/zinc/65/57/21/499655721.db2.gz XQETVNJLIAEOKF-UHFFFAOYSA-N 2 0 374.573 3.450 20 0 FGADRP C[C@H](c1nc(C2CC2)no1)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000377334783 499680834 /nfs/dbraw/zinc/68/08/34/499680834.db2.gz DCVPNJZDAPNHGB-MNEFBYGVSA-N 2 0 352.482 3.462 20 0 FGADRP C[NH+](C)[C@H]1CCC[NH+](CCCCCC[N@H+]2CCC[C@H]([NH+](C)C)CC2)CC1 ZINC000377392032 499686173 /nfs/dbraw/zinc/68/61/73/499686173.db2.gz NVARBVJFIZKFDZ-VXKWHMMOSA-N 4 0 366.638 3.379 20 0 FGADRP COc1cc(C[NH2+]C[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)cc(OC)c1O ZINC000377617286 499711062 /nfs/dbraw/zinc/71/10/62/499711062.db2.gz AJNNIDHAXVMRSC-FXAWDEMLSA-N 2 0 356.466 3.192 20 0 FGADRP CCCNC(=O)[C@@H]1CCC[N@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000411218335 499712749 /nfs/dbraw/zinc/71/27/49/499712749.db2.gz IARCFFPEWHYVOL-OAQYLSRUSA-N 2 0 357.542 3.411 20 0 FGADRP CO[C@H](C)c1noc(CN(C)Cc2ccc(C[NH+]3CCCCC3)cc2)n1 ZINC000411308910 499724522 /nfs/dbraw/zinc/72/45/22/499724522.db2.gz PSBVCOJKTFSFRE-MRXNPFEDSA-N 2 0 358.486 3.395 20 0 FGADRP O=C(c1cccc(C[NH+]2CCCCC2)c1)N1CC[NH+](C2CCCC2)CC1 ZINC000411317784 499725469 /nfs/dbraw/zinc/72/54/69/499725469.db2.gz BDQOAOFNCIQLGA-UHFFFAOYSA-N 2 0 355.526 3.373 20 0 FGADRP CC(C)[NH+]1CCC(NC(=O)C[NH2+][C@H](c2ccccc2)C2CCCC2)CC1 ZINC000411365254 499729974 /nfs/dbraw/zinc/72/99/74/499729974.db2.gz BZYRITYPRLCJBM-JOCHJYFZSA-N 2 0 357.542 3.497 20 0 FGADRP C[C@H]1C[C@@H](C(=O)N2CCC[C@H]2[C@H]2CCC[NH+]2Cc2ccccc2)CC[N@@H+]1C ZINC000377769729 499731082 /nfs/dbraw/zinc/73/10/82/499731082.db2.gz CKUDINDUJWMMPB-UVUJQTEASA-N 2 0 369.553 3.372 20 0 FGADRP O=C1C[C@H]([C@H]2CCCC[N@@H+]2Cc2ccc(C[NH+]3CCCCC3)cc2)CN1 ZINC000411411060 499736776 /nfs/dbraw/zinc/73/67/76/499736776.db2.gz FOYGWELRLGAZAN-LEWJYISDSA-N 2 0 355.526 3.163 20 0 FGADRP Cc1ccc2ncc(C[N@@H+]3CCN(C4CC[NH+](C)CC4)[C@H](C)C3)cc2c1 ZINC000411435563 499739887 /nfs/dbraw/zinc/73/98/87/499739887.db2.gz ZTNGHOFYTNRBOH-GOSISDBHSA-N 2 0 352.526 3.144 20 0 FGADRP C[C@@H]1C[N@H+](CCn2ccc3cc(Cl)ccc32)CC[C@H]1N1CC[NH+](C)CC1 ZINC000377870043 499743747 /nfs/dbraw/zinc/74/37/47/499743747.db2.gz SADVVSVNHCEZSP-YLJYHZDGSA-N 2 0 374.960 3.253 20 0 FGADRP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]CCc1nc2ccccc2c(=O)[nH]1 ZINC000411547389 499753524 /nfs/dbraw/zinc/75/35/24/499753524.db2.gz CEOQZMQZXHYLTP-FUHWJXTLSA-N 2 0 356.514 3.368 20 0 FGADRP O=C([C@@H]1CCCCN1Cc1ccc(F)cc1)N1CCC(c2c[nH]cn2)CC1 ZINC000378070887 499757274 /nfs/dbraw/zinc/75/72/74/499757274.db2.gz FFYDXAGYLLEUIB-FQEVSTJZSA-N 2 0 370.472 3.310 20 0 FGADRP CCCC[C@H]([NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1)c1ccccc1 ZINC000414185591 499766889 /nfs/dbraw/zinc/76/68/89/499766889.db2.gz GRZBTPKJHADQQO-NRFANRHFSA-N 2 0 359.558 3.304 20 0 FGADRP Cc1cc(C[NH2+]C[C@@H](C(C)C)N2CC[NH+](C)CC2)ccc1C(F)(F)F ZINC000414266572 499772909 /nfs/dbraw/zinc/77/29/09/499772909.db2.gz IDDAAJXSGBHPCN-SFHVURJKSA-N 2 0 357.464 3.375 20 0 FGADRP C[C@H]1CCC[N@H+](Cc2ccccc2C[NH2+]Cc2cnc(N(C)C)n2C)C1 ZINC000414294618 499775207 /nfs/dbraw/zinc/77/52/07/499775207.db2.gz WTJOAGGWBNKPSC-KRWDZBQOSA-N 2 0 355.530 3.008 20 0 FGADRP Cc1c([C@H](C)[NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)cnn1C(C)C ZINC000414298314 499775458 /nfs/dbraw/zinc/77/54/58/499775458.db2.gz GXHNMFMATLANJQ-SFHVURJKSA-N 2 0 370.541 3.450 20 0 FGADRP CCc1cccnc1[C@H](C)[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000414311775 499776388 /nfs/dbraw/zinc/77/63/88/499776388.db2.gz VIXKQUUOIYNHNT-SFHVURJKSA-N 2 0 353.510 3.322 20 0 FGADRP CC(C)n1ccc(C[C@@H](C)[NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)n1 ZINC000414312824 499776768 /nfs/dbraw/zinc/77/67/68/499776768.db2.gz WXYKWJFLBVQBGF-LJQANCHMSA-N 2 0 370.541 3.012 20 0 FGADRP NC(=O)C1CC[NH+](Cc2ccc(C[NH2+][C@H]3CCC[C@H]3C3CC3)cc2)CC1 ZINC000414324933 499777983 /nfs/dbraw/zinc/77/79/83/499777983.db2.gz LGERWZFMDKAWGB-SFTDATJTSA-N 2 0 355.526 3.052 20 0 FGADRP CC(C)[NH+]1CCC(NC(=O)C[NH2+][C@@]2(c3ccc(Cl)cc3)C[C@H]2C)CC1 ZINC000411699273 499780029 /nfs/dbraw/zinc/78/00/29/499780029.db2.gz YIPKTKABFLVXKU-QRWLVFNGSA-N 2 0 363.933 3.154 20 0 FGADRP C[C@@H]1CCC[C@@H](C[NH2+]Cc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)C1 ZINC000414556173 499808309 /nfs/dbraw/zinc/80/83/09/499808309.db2.gz NTQHMINZIRIMFN-YLJYHZDGSA-N 2 0 357.542 3.300 20 0 FGADRP CCOC(=O)[C@H](Cc1cccc2ccccc21)NC[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414740634 499825324 /nfs/dbraw/zinc/82/53/24/499825324.db2.gz DHHIPABJIHCTBH-FIKGOQFSSA-N 2 0 354.494 3.292 20 0 FGADRP C[C@H]1C[C@@H](C[NH+]2CCN(C(=O)c3c(Cl)cccc3Cl)CC2)CC[NH2+]1 ZINC000414747331 499826209 /nfs/dbraw/zinc/82/62/09/499826209.db2.gz MTZOGSQDLAPTDC-KBPBESRZSA-N 2 0 370.324 3.139 20 0 FGADRP COc1c(Br)cccc1C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000414778555 499830092 /nfs/dbraw/zinc/83/00/92/499830092.db2.gz JBPFWDCOULUABX-KBPBESRZSA-N 2 0 353.304 3.279 20 0 FGADRP [NH3+]C[C@@H]1C[N@H+](Cc2ccc(-c3ccncc3)cc2F)CC12CCOCC2 ZINC000414789732 499831245 /nfs/dbraw/zinc/83/12/45/499831245.db2.gz YPENBKIILMENFV-LJQANCHMSA-N 2 0 355.457 3.075 20 0 FGADRP COc1cc(C[NH2+][C@H]2CCCC[C@H]2C[NH3+])cc(Br)c1OC ZINC000414808182 499833278 /nfs/dbraw/zinc/83/32/78/499833278.db2.gz RXTVTPRKNJBJKR-JSGCOSHPSA-N 2 0 357.292 3.073 20 0 FGADRP C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000414812150 499833728 /nfs/dbraw/zinc/83/37/28/499833728.db2.gz WXUDFNZWSBOVSX-DVOMOZLQSA-N 2 0 368.319 3.273 20 0 FGADRP C[NH+]1CCC([C@H]2CCN(C(=O)c3cccc(C[NH+]4CCCCC4)c3)C2)CC1 ZINC000412212185 499834673 /nfs/dbraw/zinc/83/46/73/499834673.db2.gz HCLHYFUHLFBDOW-QFIPXVFZSA-N 2 0 369.553 3.476 20 0 FGADRP FC(F)(F)c1ccc(Cn2cc(C[NH2+]CC[C@H]3CC[NH2+]C3)cn2)cc1 ZINC000414828676 499835016 /nfs/dbraw/zinc/83/50/16/499835016.db2.gz JGCRFCFFSAKUMO-CQSZACIVSA-N 2 0 352.404 3.039 20 0 FGADRP CCCOc1c(Br)cc(C[NH2+]CC[C@@H]2CC[NH2+]C2)cc1OC ZINC000414839891 499836355 /nfs/dbraw/zinc/83/63/55/499836355.db2.gz WSRXCYHQFJOMSM-ZDUSSCGKSA-N 2 0 371.319 3.336 20 0 FGADRP COc1cc(C[NH2+][C@@H](C)[C@@H]2CCC[NH2+]C2)ccc1OCc1ccncc1 ZINC000414849643 499837693 /nfs/dbraw/zinc/83/76/93/499837693.db2.gz HMGIFAWRJGWNLX-QFBILLFUSA-N 2 0 355.482 3.147 20 0 FGADRP C[NH2+]CCC[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc(OC)cc1 ZINC000414860190 499838752 /nfs/dbraw/zinc/83/87/52/499838752.db2.gz OTDATYMDXVCCKD-UHFFFAOYSA-N 2 0 350.466 3.247 20 0 FGADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NCc2cc(F)c(F)c(F)c2)cc1 ZINC000414883739 499841212 /nfs/dbraw/zinc/84/12/12/499841212.db2.gz NIRAHGARCWMFMN-YJBOKZPZSA-N 2 0 350.384 3.348 20 0 FGADRP COc1ccc(OCc2ccccn2)c(C[NH2+]CC2(C)CC[NH2+]CC2)c1 ZINC000414912618 499843836 /nfs/dbraw/zinc/84/38/36/499843836.db2.gz VKNMIZOVRSQJEV-UHFFFAOYSA-N 2 0 355.482 3.149 20 0 FGADRP C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]C[C@@]1(C)CCC[NH2+]C1 ZINC000414917932 499844791 /nfs/dbraw/zinc/84/47/91/499844791.db2.gz SNCYAYHHODTWHO-DYVFJYSZSA-N 2 0 368.319 3.146 20 0 FGADRP COCC1(C[NH2+]Cc2ccc(OCc3ccccc3)cc2)CC[NH2+]CC1 ZINC000414942291 499847073 /nfs/dbraw/zinc/84/70/73/499847073.db2.gz BNXLAIQSHDOYEO-UHFFFAOYSA-N 2 0 354.494 3.371 20 0 FGADRP COCC1(C[NH2+][C@H](C)Cc2ccc(Br)c(F)c2)CC[NH2+]CC1 ZINC000414974921 499850388 /nfs/dbraw/zinc/85/03/88/499850388.db2.gz NBEHIEZMPLDTTF-CYBMUJFWSA-N 2 0 373.310 3.125 20 0 FGADRP [NH3+][C@H]1CCC[C@@H](C[NH2+]Cc2cc(Br)c3c(c2)OCCCO3)C1 ZINC000414987293 499851732 /nfs/dbraw/zinc/85/17/32/499851732.db2.gz DLHCIGGTVNPGPU-OCCSQVGLSA-N 2 0 369.303 3.218 20 0 FGADRP COc1cc(C[NH2+]C[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)cc(OC)c1 ZINC000414997385 499853028 /nfs/dbraw/zinc/85/30/28/499853028.db2.gz HGRNEUARFQAXNX-LAUBAEHRSA-N 2 0 358.457 3.326 20 0 FGADRP [NH3+][C@@H]1CCC[C@@H](C[NH2+]Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)C1 ZINC000415000601 499853529 /nfs/dbraw/zinc/85/35/29/499853529.db2.gz KIOUNRXHOGOVGU-HUUCEWRRSA-N 2 0 352.404 3.498 20 0 FGADRP [NH3+]C[C@H]1CC[C@H](C[NH2+]Cc2csc(-c3ccc4c(c3)OCO4)n2)CC1 ZINC000415020519 499855590 /nfs/dbraw/zinc/85/55/90/499855590.db2.gz GQMUIEYZWZOCPL-HDJSIYSDSA-N 2 0 359.495 3.394 20 0 FGADRP [NH3+]C[C@H]1CC[C@H]([NH2+]Cc2cn(Cc3ccccc3)nc2-c2cccnc2)C1 ZINC000415029518 499856100 /nfs/dbraw/zinc/85/61/00/499856100.db2.gz DQPCZSZMSITTRX-RXVVDRJESA-N 2 0 361.493 3.210 20 0 FGADRP [NH3+]C[C@@H]1CC[C@H]([NH2+]C2CCN(Cc3ccccc3Br)CC2)C1 ZINC000415045470 499857720 /nfs/dbraw/zinc/85/77/20/499857720.db2.gz UCHHBQWVHXUTFZ-PBHICJAKSA-N 2 0 366.347 3.131 20 0 FGADRP CCCOc1c(Br)cc(C[NH2+][C@@H](C)CCC[NH3+])cc1OC ZINC000415059389 499859339 /nfs/dbraw/zinc/85/93/39/499859339.db2.gz JBJILAXGAHCRRJ-LBPRGKRZSA-N 2 0 359.308 3.464 20 0 FGADRP CCOc1cc(C[NH2+][C@@H](C)CCCC[NH3+])cc(Br)c1OC ZINC000415063092 499859967 /nfs/dbraw/zinc/85/99/67/499859967.db2.gz NMARCPATIQJKNW-LBPRGKRZSA-N 2 0 359.308 3.464 20 0 FGADRP CC[NH+]1CCN(c2ccc(N[C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)c(C)c2)CC1 ZINC000415066335 499860210 /nfs/dbraw/zinc/86/02/10/499860210.db2.gz AJXNIZBATCHAGU-KSEOMHKRSA-N 2 0 356.558 3.470 20 0 FGADRP [NH3+]CC(=O)N1CCC[C@@H](C[NH2+][C@H](c2ccccc2)c2cccc(Cl)c2)C1 ZINC000415081809 499861622 /nfs/dbraw/zinc/86/16/22/499861622.db2.gz CGXIAHVJKZORDN-HRAATJIYSA-N 2 0 371.912 3.216 20 0 FGADRP C[NH+](C)Cc1ccc(NC(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)c(F)c1 ZINC000412585608 499865979 /nfs/dbraw/zinc/86/59/79/499865979.db2.gz VMSDVQWTEXHOIL-MRXNPFEDSA-N 2 0 365.518 3.043 20 0 FGADRP Cc1ccc(C[NH+]2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)c(Br)c1 ZINC000415122357 499866568 /nfs/dbraw/zinc/86/65/68/499866568.db2.gz JWKRUAQDJRMEGH-SJLPKXTDSA-N 2 0 367.331 3.476 20 0 FGADRP [NH3+][C@@H]1CCO[C@H](C2CC[NH+](Cc3ccccc3Br)CC2)C1 ZINC000415124632 499866950 /nfs/dbraw/zinc/86/69/50/499866950.db2.gz MVFOJQZLIGOGJS-WBVHZDCISA-N 2 0 353.304 3.167 20 0 FGADRP Cc1ccc(C[NH+]2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)cc1Br ZINC000415128615 499867364 /nfs/dbraw/zinc/86/73/64/499867364.db2.gz SNSKBDHLYWETDK-SJLPKXTDSA-N 2 0 367.331 3.476 20 0 FGADRP CC1CC[NH+](CCc2cccc(NC(=O)N3CC[C@H]4CC[C@@H](C3)[NH2+]4)c2)CC1 ZINC000415385611 499890637 /nfs/dbraw/zinc/89/06/37/499890637.db2.gz FIHCBKCHSLFPAT-CTNGQTDRSA-N 2 0 370.541 3.319 20 0 FGADRP CC1CC[NH+](CCc2cccc(NC(=O)N3C[C@H]4CCC[C@@H](C3)[NH2+]4)c2)CC1 ZINC000415398531 499891356 /nfs/dbraw/zinc/89/13/56/499891356.db2.gz XEMOVZFCGMXVGA-OYRHEFFESA-N 2 0 370.541 3.319 20 0 FGADRP CC(C)[N@@H+](Cc1ccc(NC(=O)N2CC[C@@H]([NH3+])C2)cc1)C[C@H]1CCCCO1 ZINC000415413988 499892309 /nfs/dbraw/zinc/89/23/09/499892309.db2.gz ZHYRQFIMSHCUHJ-UYAOXDASSA-N 2 0 374.529 3.031 20 0 FGADRP C[NH+](C)[C@@H]1CCc2cc(NC(=O)N3CCC[C@H]([C@H]4CC[NH2+]C4)C3)ccc21 ZINC000415781819 499918353 /nfs/dbraw/zinc/91/83/53/499918353.db2.gz DLJBOCKHOQMFHW-ABSDTBQOSA-N 2 0 356.514 3.089 20 0 FGADRP C[NH+](C)[C@@H]1CCc2cc(NC(=O)N(CC[NH3+])Cc3ccccc3)ccc21 ZINC000415789876 499918895 /nfs/dbraw/zinc/91/88/95/499918895.db2.gz OSRMZEKUUVIXRS-HXUWFJFHSA-N 2 0 352.482 3.228 20 0 FGADRP C[NH2+]Cc1ccccc1NC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000415899901 499925848 /nfs/dbraw/zinc/92/58/48/499925848.db2.gz KUIFXIKKAFZWQC-UHFFFAOYSA-N 2 0 352.482 3.324 20 0 FGADRP CC[NH2+]Cc1cccc(NC(=O)N[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000415910073 499927460 /nfs/dbraw/zinc/92/74/60/499927460.db2.gz AVNFCQBLWZYJSI-UWJYYQICSA-N 2 0 366.509 3.438 20 0 FGADRP C[NH2+]Cc1cccc(NC(=O)NC2CC[NH+]([C@@H](C)c3ccncc3)CC2)c1 ZINC000415915831 499927991 /nfs/dbraw/zinc/92/79/91/499927991.db2.gz AHFMKYDBIZBEQN-INIZCTEOSA-N 2 0 367.497 3.148 20 0 FGADRP [NH3+]CCOc1ccc(NC(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)cc1 ZINC000415933568 499930219 /nfs/dbraw/zinc/93/02/19/499930219.db2.gz GBAWACSQOQAKHH-GOSISDBHSA-N 2 0 374.529 3.144 20 0 FGADRP CC[NH2+]Cc1cccc(NC(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)c1 ZINC000415935718 499930605 /nfs/dbraw/zinc/93/06/05/499930605.db2.gz RYJYBVQCZHCPFS-GOSISDBHSA-N 2 0 356.470 3.348 20 0 FGADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)Nc1ccc(OCC[NH3+])cc1 ZINC000415939363 499930918 /nfs/dbraw/zinc/93/09/18/499930918.db2.gz QVWDXMBHUUNNOD-LPHOPBHVSA-N 2 0 362.518 3.046 20 0 FGADRP [NH3+]CCOc1ccc(NC(=O)N2CCC(CCC[NH+]3CCCC3)CC2)cc1 ZINC000415945863 499931891 /nfs/dbraw/zinc/93/18/91/499931891.db2.gz MBRVGFBWUYTXCA-UHFFFAOYSA-N 2 0 374.529 3.144 20 0 FGADRP C[N@@H+]1CCC[C@H]2CN(C(=O)Nc3cc(C[NH3+])cc(C(F)(F)F)c3)CC[C@@H]21 ZINC000415960580 499933715 /nfs/dbraw/zinc/93/37/15/499933715.db2.gz QIIHHJOFAVGVIL-BBRMVZONSA-N 2 0 370.419 3.112 20 0 FGADRP CCC[NH+]1CCC(NC(=O)Nc2cc(C[NH3+])cc(C(F)(F)F)c2)CC1 ZINC000415960783 499933763 /nfs/dbraw/zinc/93/37/63/499933763.db2.gz CFTNVAXBSWFBHE-UHFFFAOYSA-N 2 0 358.408 3.160 20 0 FGADRP CC[N@@H+]1C[C@@H](C)N(C(=O)Nc2cc(C[NH3+])cc(C(F)(F)F)c2)C[C@H]1C ZINC000415964985 499934716 /nfs/dbraw/zinc/93/47/16/499934716.db2.gz YXSXQGJYKOQHPM-VXGBXAGGSA-N 2 0 358.408 3.111 20 0 FGADRP C[NH2+]Cc1ccc(NC(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)cc1 ZINC000415972586 499935614 /nfs/dbraw/zinc/93/56/14/499935614.db2.gz NCBWDZGHBILJHY-FQEVSTJZSA-N 2 0 352.482 3.192 20 0 FGADRP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000415976867 499936197 /nfs/dbraw/zinc/93/61/97/499936197.db2.gz VYDSXSHVZHDXKS-CHWSQXEVSA-N 2 0 372.435 3.406 20 0 FGADRP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)Nc2ccc(C[NH3+])cc2)CC1 ZINC000415983058 499937129 /nfs/dbraw/zinc/93/71/29/499937129.db2.gz YVKZFSPXHDOZKC-MRXNPFEDSA-N 2 0 352.482 3.492 20 0 FGADRP C[NH2+]Cc1ccc(NC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000415982903 499937183 /nfs/dbraw/zinc/93/71/83/499937183.db2.gz FJICSVFCMVGLFC-UHFFFAOYSA-N 2 0 352.482 3.324 20 0 FGADRP C[C@@H]([NH3+])c1ccc(CNC(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000417103366 499973519 /nfs/dbraw/zinc/97/35/19/499973519.db2.gz DAQCPBOGDGEBGV-UTKZUKDTSA-N 2 0 366.509 3.170 20 0 FGADRP C[NH+](C)Cc1cccc(C(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)c1 ZINC000425000296 499988604 /nfs/dbraw/zinc/98/86/04/499988604.db2.gz BCGKYAXYSZVJOL-FCHUYYIVSA-N 2 0 363.505 3.095 20 0 FGADRP C[N@@H+]1CC[C@]2(CC[NH+](C[C@H](O)Cn3c4ccccc4c4ccccc43)C2)C1 ZINC000429032857 499988940 /nfs/dbraw/zinc/98/89/40/499988940.db2.gz XXSLJDJJNRHJQW-MBSDFSHPSA-N 2 0 363.505 3.183 20 0 FGADRP CC1CC[NH+]([C@H](CNC(=O)N2CCC[C@H](CC[NH3+])C2)c2ccccc2)CC1 ZINC000417208681 500006002 /nfs/dbraw/zinc/00/60/02/500006002.db2.gz BIVFUJDQLMPUCJ-TZIWHRDSSA-N 2 0 372.557 3.230 20 0 FGADRP C[NH2+]C[C@@H]1CCCN(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCC(C)CC2)C1 ZINC000417212997 500006536 /nfs/dbraw/zinc/00/65/36/500006536.db2.gz IMTQHDQZNLTSHN-FPOVZHCZSA-N 2 0 372.557 3.101 20 0 FGADRP C[C@H](CCCC[NH3+])NC(=O)NC[C@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC000417220703 500008780 /nfs/dbraw/zinc/00/87/80/500008780.db2.gz YWHXDWPEEWTHGT-UYAOXDASSA-N 2 0 360.546 3.276 20 0 FGADRP COC(=O)[C@@H]1C[N@H+](CC[C@@H]2CCCC[NH+]2C)C[C@H]1c1ccc(Cl)cc1 ZINC000429133246 500009850 /nfs/dbraw/zinc/00/98/50/500009850.db2.gz XYPYAFILLNWINE-GBESFXJTSA-N 2 0 364.917 3.403 20 0 FGADRP C[C@@H]([NH3+])c1ccc(CNC(=O)NC2CC[NH+](CC3CCCC3)CC2)cc1 ZINC000417332227 500041831 /nfs/dbraw/zinc/04/18/31/500041831.db2.gz NSZSTWHCLZJYIO-MRXNPFEDSA-N 2 0 358.530 3.160 20 0 FGADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]C2CCN(c3cccnn3)CC2)CC1 ZINC000429416491 500074530 /nfs/dbraw/zinc/07/45/30/500074530.db2.gz DBDUHJYDWJJWEF-XLIONFOSSA-N 2 0 357.546 3.078 20 0 FGADRP C[NH2+]C[C@H]1CCCN(C(=O)NCc2cccc(C[NH+]3CCC(C)CC3)c2)C1 ZINC000417469488 500082815 /nfs/dbraw/zinc/08/28/15/500082815.db2.gz QICAOSPBRZPEJP-OAQYLSRUSA-N 2 0 372.557 3.060 20 0 FGADRP Cc1cc(CNC(=O)c2ccc(C[NH+]3CCSCC3)cc2)cc(C)n1 ZINC000421577911 500085223 /nfs/dbraw/zinc/08/52/23/500085223.db2.gz PVKZLJUBDBANIF-UHFFFAOYSA-N 2 0 355.507 3.177 20 0 FGADRP C[C@H]([NH3+])c1ccc(CNC(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000429515572 500092174 /nfs/dbraw/zinc/09/21/74/500092174.db2.gz BSCVZLOQSCOCLF-UWJYYQICSA-N 2 0 351.494 3.235 20 0 FGADRP CC(C)c1ccc([C@H]([NH3+])CNC(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)cc1 ZINC000417537156 500100599 /nfs/dbraw/zinc/10/05/99/500100599.db2.gz CPKXFPHIKWNIOF-YLJYHZDGSA-N 2 0 360.546 3.229 20 0 FGADRP C[C@@H](CCCC[NH3+])NC(=O)NC[C@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000416829229 500131550 /nfs/dbraw/zinc/13/15/50/500131550.db2.gz FOXKLIMUICKSGX-DLBZAZTESA-N 2 0 366.575 3.338 20 0 FGADRP C[C@H]([NH2+]C(C)(C)CNC(=O)N(CC[NH3+])Cc1ccccc1)c1ccccc1 ZINC000417636361 500132104 /nfs/dbraw/zinc/13/21/04/500132104.db2.gz XQPUPYQIPMVILT-SFHVURJKSA-N 2 0 368.525 3.286 20 0 FGADRP CC1(C)C[C@H](c2ccccc2)[N@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000425546246 500140723 /nfs/dbraw/zinc/14/07/23/500140723.db2.gz SZESDOHBTFOTTJ-HXUWFJFHSA-N 2 0 355.526 3.203 20 0 FGADRP [NH3+][C@@H](CNC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1)c1ccccc1 ZINC000416888483 500148313 /nfs/dbraw/zinc/14/83/13/500148313.db2.gz JALLNIJMBKAGHS-NRFANRHFSA-N 2 0 366.509 3.172 20 0 FGADRP CCC(CC)(CNC(=O)N[C@@H]1CC[NH2+][C@H](C)C1)[NH2+][C@@H](C)c1ccccc1 ZINC000417705161 500153330 /nfs/dbraw/zinc/15/33/30/500153330.db2.gz NFSVAKORSCCACP-ZIFCJYIRSA-N 2 0 360.546 3.336 20 0 FGADRP COC(=O)c1cnc([C@H](C)[NH2+]CC2CC[NH+](CCC(C)C)CC2)s1 ZINC000414114167 500157111 /nfs/dbraw/zinc/15/71/11/500157111.db2.gz ONFYZPKIYOPBHB-AWEZNQCLSA-N 2 0 353.532 3.338 20 0 FGADRP CC(C)C[NH+]1CCC(NC(=O)NC[C@H]([NH3+])c2ccc(C(C)C)cc2)CC1 ZINC000416935548 500160604 /nfs/dbraw/zinc/16/06/04/500160604.db2.gz GPMMMQHCFORONE-FQEVSTJZSA-N 2 0 360.546 3.229 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N2CCC[C@@H](CC[NH3+])C2)cc1 ZINC000416972861 500171519 /nfs/dbraw/zinc/17/15/19/500171519.db2.gz IUPTYJOIABUACO-QUCCMNQESA-N 2 0 372.557 3.331 20 0 FGADRP C[C@@H]([NH3+])C1CCN(C(=O)NCc2ccc(C[NH+]3CCC(C)CC3)cc2)CC1 ZINC000416984151 500175192 /nfs/dbraw/zinc/17/51/92/500175192.db2.gz XSJCMJYAWOTIAP-GOSISDBHSA-N 2 0 372.557 3.187 20 0 FGADRP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000416983526 500175274 /nfs/dbraw/zinc/17/52/74/500175274.db2.gz XARAZSFXORQLJI-LAUBAEHRSA-N 2 0 370.541 3.097 20 0 FGADRP CCCC[N@H+](CC)Cc1cccc(CNC(=O)NC[C@@]2(C)CCC[NH2+]C2)c1 ZINC000417868014 500187587 /nfs/dbraw/zinc/18/75/87/500187587.db2.gz CKSLJLYXVAVORG-QFIPXVFZSA-N 2 0 374.573 3.498 20 0 FGADRP CC(C)C[C@H](CNC(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1)[NH2+][C@@H](C)c1ccccc1 ZINC000417867164 500187769 /nfs/dbraw/zinc/18/77/69/500187769.db2.gz FEWMKXBLYBKFOD-UYWIDEMCSA-N 2 0 374.573 3.439 20 0 FGADRP C[NH2+]C[C@@H]1CCCN1C(=O)NC[C@H](CC(C)C)[NH2+][C@H](C)c1ccccc1 ZINC000417872714 500188906 /nfs/dbraw/zinc/18/89/06/500188906.db2.gz LFEUYDLFUQWLNR-HOJAQTOUSA-N 2 0 360.546 3.145 20 0 FGADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)N[C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000417896076 500194286 /nfs/dbraw/zinc/19/42/86/500194286.db2.gz PBVFGBQCCKHAHY-JYRKZWEQSA-N 2 0 374.573 3.158 20 0 FGADRP C[C@H](CCCC[NH3+])NC(=O)NCC[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000417935569 500200717 /nfs/dbraw/zinc/20/07/17/500200717.db2.gz ZTAXVFXDINNKLP-HBFSDRIKSA-N 2 0 360.546 3.104 20 0 FGADRP c1c(C[NH2+][C@@H]2CCC[C@@H]2OCc2ccccc2)onc1C1CC[NH2+]CC1 ZINC000425895175 500209076 /nfs/dbraw/zinc/20/90/76/500209076.db2.gz IBWXUXDBQGGJDN-CTNGQTDRSA-N 2 0 355.482 3.369 20 0 FGADRP C[N@H+](CCCOCc1ccccc1)C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000425982847 500220853 /nfs/dbraw/zinc/22/08/53/500220853.db2.gz AHMXFGDVOWRNSJ-QHCPKHFHSA-N 2 0 368.521 3.162 20 0 FGADRP C[NH+]1CCC(O)(C[NH2+][C@@H](Cc2cccnc2)c2cccc(Cl)c2)CC1 ZINC000426033324 500228946 /nfs/dbraw/zinc/22/89/46/500228946.db2.gz FAJPPQKYJUVSGY-IBGZPJMESA-N 2 0 359.901 3.065 20 0 FGADRP OCC[NH+]1CCC(C[NH2+][C@@H](Cc2cccnc2)c2cccc(Cl)c2)CC1 ZINC000426061925 500231541 /nfs/dbraw/zinc/23/15/41/500231541.db2.gz LHBODFUSYMLCOX-NRFANRHFSA-N 2 0 373.928 3.313 20 0 FGADRP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000418148683 500237470 /nfs/dbraw/zinc/23/74/70/500237470.db2.gz ACQUOAWRGBBRAP-DFQSSKMNSA-N 2 0 372.557 3.198 20 0 FGADRP C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)NC2CCC([NH+](C)C)CC2)C1 ZINC000422247635 500240784 /nfs/dbraw/zinc/24/07/84/500240784.db2.gz XJLPULCYABDEMQ-WBYGSUFKSA-N 2 0 364.578 3.155 20 0 FGADRP C[NH+](C)C1CCC(NC(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)CC1 ZINC000422246496 500240853 /nfs/dbraw/zinc/24/08/53/500240853.db2.gz SNNDYYZJFWPJEC-HDYDNRTBSA-N 2 0 364.578 3.157 20 0 FGADRP CCc1ccc([C@@H](CNC(=O)NC2CCC([NH3+])CC2)[NH+](CC)CC)cc1 ZINC000418209275 500249770 /nfs/dbraw/zinc/24/97/70/500249770.db2.gz FDHASNXSBJFNRC-SOAGJPPSSA-N 2 0 360.546 3.201 20 0 FGADRP CC[NH2+]CC1CC[NH+](Cc2ccc(OC)c(OC)c2Br)CC1 ZINC000430548046 500252450 /nfs/dbraw/zinc/25/24/50/500252450.db2.gz VWAAHRIHMVGQKL-UHFFFAOYSA-N 2 0 371.319 3.288 20 0 FGADRP C[C@@H](CCCC[NH3+])NC(=O)NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000418233514 500253641 /nfs/dbraw/zinc/25/36/41/500253641.db2.gz ISFXEAZSWPJCAC-ICSRJNTNSA-N 2 0 360.546 3.105 20 0 FGADRP CC(C)[C@H]([NH3+])CC[N@H+](C)CCC(=O)Nc1ccc(Br)cc1 ZINC000430560691 500255093 /nfs/dbraw/zinc/25/50/93/500255093.db2.gz XHCLYRHDRJEKHV-OAHLLOKOSA-N 2 0 356.308 3.083 20 0 FGADRP C[N@H+](Cc1ccccc1)C1(CNC(=O)NC[C@H]([NH3+])c2ccccc2)CCC1 ZINC000418246806 500255154 /nfs/dbraw/zinc/25/51/54/500255154.db2.gz QDBIUPAKCNUWNO-FQEVSTJZSA-N 2 0 366.509 3.040 20 0 FGADRP CC[NH2+]CC1CC[NH+]([C@@H](C)C(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)CC1 ZINC000430572081 500256631 /nfs/dbraw/zinc/25/66/31/500256631.db2.gz NFDSQJWCLLJYET-ROUUACIJSA-N 2 0 371.569 3.453 20 0 FGADRP CC[NH2+]CC1CC[NH+]([C@H](C)C(=O)N[C@H](C)c2ccc3c(c2)CCCC3)CC1 ZINC000430572078 500256669 /nfs/dbraw/zinc/25/66/69/500256669.db2.gz NFDSQJWCLLJYET-QZTJIDSGSA-N 2 0 371.569 3.453 20 0 FGADRP C[C@H](NC(=O)N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1)[C@@H]1CCC[NH2+]C1 ZINC000418340400 500264668 /nfs/dbraw/zinc/26/46/68/500264668.db2.gz LHGXVSJSUHVAIU-WSTZPKSXSA-N 2 0 364.578 3.061 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@H]([NH3+])c2ccc(C(C)C)cc2)C[C@H]1C ZINC000418337983 500264776 /nfs/dbraw/zinc/26/47/76/500264776.db2.gz YQOWSZSZBOXFGQ-UXPWSPDFSA-N 2 0 360.546 3.324 20 0 FGADRP [NH3+]CC1CC[NH+](CCC(=O)Nc2ccccc2Oc2ccccc2)CC1 ZINC000430640700 500264854 /nfs/dbraw/zinc/26/48/54/500264854.db2.gz HQNSLXQLEYNWQI-UHFFFAOYSA-N 2 0 353.466 3.478 20 0 FGADRP CC(C)c1ccc([C@H]([NH3+])CNC(=O)N(CC[NH3+])CCc2ccccc2)cc1 ZINC000418343300 500265111 /nfs/dbraw/zinc/26/51/11/500265111.db2.gz FKRDMYGPLYYRJT-OAQYLSRUSA-N 2 0 368.525 3.023 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)N[C@H](C[NH3+])C2CCCCC2)C1 ZINC000418379465 500270103 /nfs/dbraw/zinc/27/01/03/500270103.db2.gz KNCYDHCBICJOFN-QWFCFKBJSA-N 2 0 364.578 3.190 20 0 FGADRP CC(C)C[C@@H](C[NH3+])NC(=O)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000418453731 500278269 /nfs/dbraw/zinc/27/82/69/500278269.db2.gz YNLPRDMUZZRQTJ-FQEVSTJZSA-N 2 0 372.557 3.058 20 0 FGADRP CCCC[C@H](C[NH3+])NC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000418453772 500278624 /nfs/dbraw/zinc/27/86/24/500278624.db2.gz ZLSSVTGNOLYCBT-RLLQIKCJSA-N 2 0 360.546 3.198 20 0 FGADRP CCCC[C@H](C[NH3+])NC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000418456960 500278855 /nfs/dbraw/zinc/27/88/55/500278855.db2.gz DEQYNNLALYGQHD-NJDAHSKKSA-N 2 0 372.557 3.200 20 0 FGADRP C[C@H]([NH3+])c1ccc(CNC(=O)N(CC[NH+](C)C)Cc2cccs2)cc1 ZINC000418485924 500282797 /nfs/dbraw/zinc/28/27/97/500282797.db2.gz HTUWEYCVIBNKDJ-HNNXBMFYSA-N 2 0 360.527 3.041 20 0 FGADRP CC(C)(C[NH+]1CCCC1)NC(=O)N[C@@H](C[NH3+])c1ccc2ccccc2c1 ZINC000418496073 500283977 /nfs/dbraw/zinc/28/39/77/500283977.db2.gz CIXBNUAVZVUUJR-IBGZPJMESA-N 2 0 354.498 3.013 20 0 FGADRP C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)NCC2(C)CC[NH2+]CC2)CC1 ZINC000418514869 500286594 /nfs/dbraw/zinc/28/65/94/500286594.db2.gz HVGMXXMHKUJQAW-SFHVURJKSA-N 2 0 364.578 3.062 20 0 FGADRP CCN(C(=O)NC[C@]1(C)CCC[NH2+]C1)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000418512979 500286744 /nfs/dbraw/zinc/28/67/44/500286744.db2.gz FOMPYCRHWDAWDO-RCZSKKKRSA-N 2 0 372.557 3.243 20 0 FGADRP COc1cccc(OC)c1Oc1ccc(C[NH2+][C@@H]2CC[NH2+]CC[C@@H]2C)cn1 ZINC000422700212 500287141 /nfs/dbraw/zinc/28/71/41/500287141.db2.gz BTCRFCFVDLHSJN-DOTOQJQBSA-N 2 0 371.481 3.369 20 0 FGADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+][C@H]1CCN(c2ccccc2Br)C1 ZINC000422703278 500287536 /nfs/dbraw/zinc/28/75/36/500287536.db2.gz HKXCIKFXNUCWAN-IJEWVQPXSA-N 2 0 352.320 3.006 20 0 FGADRP CCOc1ccc(Oc2cc(C[NH2+][C@@H]3CCOC[C@H]3[C@H](C)[NH3+])ccn2)cc1 ZINC000422710695 500288200 /nfs/dbraw/zinc/28/82/00/500288200.db2.gz LYTLWFOPYSQEOW-RYGJVYDSSA-N 2 0 371.481 3.115 20 0 FGADRP CC(=O)Nc1ccc(CC[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422710900 500288289 /nfs/dbraw/zinc/28/82/89/500288289.db2.gz GKGZCNQKKKCTKG-IRLDBZIGSA-N 2 0 365.477 3.033 20 0 FGADRP c1ccc(CC[N@@H+]2CC[C@H](C[NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCCC[NH2+]3)C2)cc1 ZINC000422721864 500289700 /nfs/dbraw/zinc/28/97/00/500289700.db2.gz WFDBEUMCWQOURP-BXXSPATCSA-N 3 0 355.570 3.451 20 0 FGADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+][C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1 ZINC000422731689 500291802 /nfs/dbraw/zinc/29/18/02/500291802.db2.gz OAMDKFDRYGZYTF-CKEIUWERSA-N 2 0 357.420 3.142 20 0 FGADRP COC[C@H](CCC[NH3+])[NH2+]C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000422734510 500291813 /nfs/dbraw/zinc/29/18/13/500291813.db2.gz SLGFEXGEDYSLRX-INIZCTEOSA-N 2 0 374.356 3.301 20 0 FGADRP COc1ccc([C@H](NCc2ccc(F)c(C[NH+](C)C)c2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422745337 500293042 /nfs/dbraw/zinc/29/30/42/500293042.db2.gz MDACLELGHNVDKN-VXKWHMMOSA-N 2 0 371.500 3.479 20 0 FGADRP OC1CC[NH+](Cc2ccc(C[NH2+][C@@H]3CCC[C@H]3[C@@H]3CCCC[NH2+]3)cc2)CC1 ZINC000422746964 500293938 /nfs/dbraw/zinc/29/39/38/500293938.db2.gz XSPXGTPYSXPREL-RJGXRXQPSA-N 3 0 371.569 3.044 20 0 FGADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]CC1(c2cccc(C(F)(F)F)c2)CCOCC1 ZINC000422762549 500295286 /nfs/dbraw/zinc/29/52/86/500295286.db2.gz NXTNDNOBQBAMKY-WMLDXEAASA-N 2 0 356.432 3.471 20 0 FGADRP COc1ccc([C@H](NCC[N@H+](C)Cc2ccccc2)[C@H]2CCC[NH2+]2)cc1 ZINC000422769127 500295775 /nfs/dbraw/zinc/29/57/75/500295775.db2.gz UMOXGNDWYMCAFS-YADHBBJMSA-N 2 0 353.510 3.210 20 0 FGADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CC1CCN(C(=O)c2ccccc2)CC1 ZINC000422772361 500295916 /nfs/dbraw/zinc/29/59/16/500295916.db2.gz XBUCCTHFZBEVGI-AVRDEDQJSA-N 2 0 365.521 3.087 20 0 FGADRP CCOC(=O)C1([C@H](C)[NH2+]CCOc2ccc3ccccc3c2)CC[NH2+]CC1 ZINC000422806592 500300526 /nfs/dbraw/zinc/30/05/26/500300526.db2.gz IJJGSTFPVGDCAA-KRWDZBQOSA-N 2 0 370.493 3.130 20 0 FGADRP c1cn(Cc2ccccc2)c(CC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)n1 ZINC000422816660 500301911 /nfs/dbraw/zinc/30/19/11/500301911.db2.gz FQFYNOXHSGPYIE-PWRODBHTSA-N 2 0 352.526 3.374 20 0 FGADRP CCc1ccccc1[C@H]([NH3+])CNC(=O)N[C@@H](CCC[NH3+])c1ccccc1 ZINC000418656969 500302488 /nfs/dbraw/zinc/30/24/88/500302488.db2.gz TVWLVIYMHFHUFO-UXHICEINSA-N 2 0 354.498 3.028 20 0 FGADRP FC(F)Oc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC000422832161 500303461 /nfs/dbraw/zinc/30/34/61/500303461.db2.gz URRWQEZVASIQGL-ZSYWTGECSA-N 2 0 366.452 3.412 20 0 FGADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]Cc1cccc(COCc2ccccc2)c1 ZINC000422852490 500306122 /nfs/dbraw/zinc/30/61/22/500306122.db2.gz AWOKOHJALZHLNW-BULFRSBZSA-N 2 0 354.494 3.245 20 0 FGADRP FC(F)(F)COc1cc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)ccn1 ZINC000422853417 500306160 /nfs/dbraw/zinc/30/61/60/500306160.db2.gz BTCISCHFHHAHKD-ARFHVFGLSA-N 2 0 357.420 3.423 20 0 FGADRP COCCOc1ccc(C[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422860294 500306747 /nfs/dbraw/zinc/30/67/47/500306747.db2.gz LHXWWEMHVKANBA-IRLDBZIGSA-N 2 0 368.477 3.057 20 0 FGADRP C[C@@H]([NH2+]CC1(c2ccc(Br)cc2)CCOCC1)[C@@H]1CCC[NH2+]1 ZINC000422883261 500310461 /nfs/dbraw/zinc/31/04/61/500310461.db2.gz UOPSMVMRTZRWPD-PBHICJAKSA-N 2 0 367.331 3.227 20 0 FGADRP C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)N1CC[C@H]([NH3+])[C@H](C)C1 ZINC000430940186 500310737 /nfs/dbraw/zinc/31/07/37/500310737.db2.gz JCXVFAXDWUUGQF-RYRKJORJSA-N 2 0 353.466 3.475 20 0 FGADRP CC[N@H+](CCC1CCN(C(=O)NC[C@@H]2CCC[C@@H]([NH3+])C2)CC1)CC1CC1 ZINC000418721218 500312550 /nfs/dbraw/zinc/31/25/50/500312550.db2.gz MAGFFIMCTNXGAZ-WOJBJXKFSA-N 2 0 364.578 3.048 20 0 FGADRP COc1ccc(Cl)cc1C1(C[NH2+][C@@H]2CCC[C@H]2C[NH3+])CCOCC1 ZINC000422899204 500313209 /nfs/dbraw/zinc/31/32/09/500313209.db2.gz GZSOTUPDLCEVGR-WMLDXEAASA-N 2 0 352.906 3.114 20 0 FGADRP Cc1cc(Cl)ccc1OCCC[NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000422897118 500313236 /nfs/dbraw/zinc/31/32/36/500313236.db2.gz JAIFLMMYAHNRAO-OKZBNKHCSA-N 2 0 352.906 3.164 20 0 FGADRP CC(C)Oc1ccc(C[NH2+][C@@H]2CCOC[C@H]2[C@H](C)[NH3+])c(C(F)(F)F)c1 ZINC000422902552 500313595 /nfs/dbraw/zinc/31/35/95/500313595.db2.gz MXFHYUMSJGOBFX-YLQAJVPDSA-N 2 0 360.420 3.335 20 0 FGADRP C[C@H]([NH2+]C[C@H]1CCN(c2cccc(Br)c2)C1)[C@@H]1CCCC[NH2+]1 ZINC000422903515 500313979 /nfs/dbraw/zinc/31/39/79/500313979.db2.gz WHPITGQNKUDPSX-DAYGRLMNSA-N 2 0 366.347 3.396 20 0 FGADRP COc1ccc(C2(C[NH2+][C@H]3C[C@@H]([NH3+])c4ccccc43)CCOCC2)cc1 ZINC000422905902 500314942 /nfs/dbraw/zinc/31/49/42/500314942.db2.gz ZSRTVTKXFKYVTQ-RTWAWAEBSA-N 2 0 352.478 3.478 20 0 FGADRP CCOC(=O)C1([C@H](C)[NH2+][C@H](CC)c2cc(F)ccc2F)CC[NH2+]CC1 ZINC000422918226 500316359 /nfs/dbraw/zinc/31/63/59/500316359.db2.gz HNYNPDVCYPHFPS-SUMWQHHRSA-N 2 0 354.441 3.327 20 0 FGADRP CCOC(=O)C1([C@H](C)[NH2+]C[C@@H](CC)Oc2cccc(C)c2)CC[NH2+]CC1 ZINC000422922054 500316838 /nfs/dbraw/zinc/31/68/38/500316838.db2.gz RQGXSCOPLSFKNG-ZWKOTPCHSA-N 2 0 362.514 3.063 20 0 FGADRP CO[C@H](C[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1ccc(F)cc1 ZINC000422923783 500317524 /nfs/dbraw/zinc/31/75/24/500317524.db2.gz XBJXFEAAFMRPQH-NRSPTQNISA-N 2 0 356.441 3.359 20 0 FGADRP COc1cc(OC)cc(OCCC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)c1 ZINC000422929016 500318217 /nfs/dbraw/zinc/31/82/17/500318217.db2.gz NXZLDZSNDBQFKW-NJDAHSKKSA-N 2 0 362.514 3.373 20 0 FGADRP COc1cc(C[NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)ccc1OC1CCCC1 ZINC000422936452 500319535 /nfs/dbraw/zinc/31/95/35/500319535.db2.gz IDOYDXFRQHCADO-VAMGGRTRSA-N 2 0 374.525 3.263 20 0 FGADRP CCOC(=O)C1([C@@H](C)[NH2+]CCOc2cccc3ccccc32)CC[NH2+]CC1 ZINC000422938555 500319571 /nfs/dbraw/zinc/31/95/71/500319571.db2.gz HDENDLCKVYDVKB-QGZVFWFLSA-N 2 0 370.493 3.130 20 0 FGADRP [NH3+][C@@H]1C[C@@H]([NH2+]CCCC[NH+]2CCN(c3ccccc3)CC2)c2ccccc21 ZINC000422946062 500321569 /nfs/dbraw/zinc/32/15/69/500321569.db2.gz OFJVNIKCMDYTBC-DHIUTWEWSA-N 3 0 364.537 3.323 20 0 FGADRP [NH3+][C@H]1C[C@H]([NH2+]CCCC[NH+]2CCN(c3ccccc3)CC2)c2ccccc21 ZINC000422946063 500321944 /nfs/dbraw/zinc/32/19/44/500321944.db2.gz OFJVNIKCMDYTBC-GOTSBHOMSA-N 3 0 364.537 3.323 20 0 FGADRP CCOC(=O)C1([C@@H](C)[NH2+][C@H]2CCc3cc(Cl)ccc32)CC[NH2+]CC1 ZINC000422945467 500322108 /nfs/dbraw/zinc/32/21/08/500322108.db2.gz NDFRKZBDVRSEPU-DYVFJYSZSA-N 2 0 350.890 3.238 20 0 FGADRP C[C@@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]C[C@@H](C)Sc1ccc(Br)cc1 ZINC000422952502 500322258 /nfs/dbraw/zinc/32/22/58/500322258.db2.gz COKRJHQXRQOYOW-AVRGHOLYSA-N 2 0 373.360 3.272 20 0 FGADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CCc1nc(-c2ccc(Cl)cc2)no1 ZINC000422952284 500322596 /nfs/dbraw/zinc/32/25/96/500322596.db2.gz CBLPTMBLVAMAKI-GFCCVEGCSA-N 2 0 371.872 3.445 20 0 FGADRP COc1cccc(C[C@H](C)[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000422956001 500323244 /nfs/dbraw/zinc/32/32/44/500323244.db2.gz OCNTYWCFQLERKM-SAWYMBPVSA-N 2 0 352.478 3.472 20 0 FGADRP CCCN(C(=O)N[C@@H]1CC[C@H](C[NH3+])C1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000418788877 500323496 /nfs/dbraw/zinc/32/34/96/500323496.db2.gz LMSPVGSJNMROJC-HBMCJLEFSA-N 2 0 372.557 3.200 20 0 FGADRP C[C@@H]1CC[N@H+](CCOc2ccc(NC(=O)[C@@H]3C[C@H]4CCCC[C@@H]4[NH2+]3)cc2)C1 ZINC000431018979 500324141 /nfs/dbraw/zinc/32/41/41/500324141.db2.gz ZEOMPCWULQLQMW-JYWFKMLOSA-N 2 0 371.525 3.266 20 0 FGADRP C[C@@H](NC(=O)[C@@H](C)[NH+]1CCC2(CC[NH2+]C2)CC1)c1cccc2ccccc21 ZINC000431040942 500327497 /nfs/dbraw/zinc/32/74/97/500327497.db2.gz PVTFRVTVYSUHQO-QZTJIDSGSA-N 2 0 365.521 3.481 20 0 FGADRP CCOC(=O)C1([C@H](C)[NH2+][C@H](CC)CSc2ccccc2)CC[NH2+]CC1 ZINC000423007851 500330628 /nfs/dbraw/zinc/33/06/28/500330628.db2.gz YTRLOVPEPOMSAO-DLBZAZTESA-N 2 0 364.555 3.468 20 0 FGADRP COc1ccc(Oc2ccc(CC[NH2+][C@@H]3CCOC[C@H]3[C@@H](C)[NH3+])cc2)cc1 ZINC000423015090 500330688 /nfs/dbraw/zinc/33/06/88/500330688.db2.gz QKCFILFBAOJGQJ-URZJWIJPSA-N 2 0 370.493 3.372 20 0 FGADRP C[C@H]1C[N@H+](CCOc2ccc(CC[NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)cc2)C[C@H]1C ZINC000423018318 500331706 /nfs/dbraw/zinc/33/17/06/500331706.db2.gz QTFBZHVHZYYNAM-YBQSVFPOSA-N 3 0 371.569 3.068 20 0 FGADRP CCCCn1cc(C[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c(C)n1 ZINC000423018039 500331741 /nfs/dbraw/zinc/33/17/41/500331741.db2.gz PYIJPDIMTPXKTH-FPOVZHCZSA-N 2 0 354.498 3.337 20 0 FGADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]CC1(c2cc(F)cc(C(F)(F)F)c2)CC1 ZINC000423058719 500336672 /nfs/dbraw/zinc/33/66/72/500336672.db2.gz KGPNTHAQXZJJMB-IUIKQTSFSA-N 2 0 360.395 3.218 20 0 FGADRP C[C@@H]([NH2+][C@@H](Cc1ccccn1)c1ccc(Br)cc1)C1C[NH2+]C1 ZINC000423072900 500338384 /nfs/dbraw/zinc/33/83/84/500338384.db2.gz QLLSPFFKXBNHCA-ACJLOTCBSA-N 2 0 360.299 3.325 20 0 FGADRP CCOC(=O)C1([C@@H](C)[NH2+]Cc2cc(F)c(Cl)cc2F)CC[NH2+]CC1 ZINC000423088592 500340702 /nfs/dbraw/zinc/34/07/02/500340702.db2.gz SIGLLYPTXHMOFD-LLVKDONJSA-N 2 0 360.832 3.029 20 0 FGADRP C[C@@H](CCC[NH3+])[NH2+][C@@H](CO)c1ccc(Br)cc1C(F)(F)F ZINC000423099359 500341582 /nfs/dbraw/zinc/34/15/82/500341582.db2.gz TXOVNJBBLDNXKP-ZANVPECISA-N 2 0 369.225 3.218 20 0 FGADRP C[NH+]1CCC(Oc2ccc(C[NH2+][C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)cc2)CC1 ZINC000423102633 500342571 /nfs/dbraw/zinc/34/25/71/500342571.db2.gz KIRVIGRLWOKJEV-BHDDXSALSA-N 3 0 357.542 3.170 20 0 FGADRP CCCOc1c(OC)cc(CC[NH2+][C@@H]2CCCCC[C@@H]2[NH3+])cc1OC ZINC000423149325 500348583 /nfs/dbraw/zinc/34/85/83/500348583.db2.gz HHIKFBPOPMIAIB-DLBZAZTESA-N 2 0 350.503 3.285 20 0 FGADRP Fc1cccc(F)c1C1(C[NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)CCC1 ZINC000423174898 500351073 /nfs/dbraw/zinc/35/10/73/500351073.db2.gz CYPVFIYHEVEHBY-ZTFGCOKTSA-N 2 0 350.453 3.133 20 0 FGADRP COc1ccc(-c2nc(C)c([C@H](C)[NH2+]CCCN3CC[NH2+]CC3)s2)cc1 ZINC000423174651 500351334 /nfs/dbraw/zinc/35/13/34/500351334.db2.gz BPYYFUMVODDMSF-HNNXBMFYSA-N 2 0 374.554 3.073 20 0 FGADRP Fc1cccc(C[C@H]([NH2+]CCCN2CC[NH2+]CC2)c2cccc(F)c2)c1 ZINC000423174321 500351350 /nfs/dbraw/zinc/35/13/50/500351350.db2.gz AGCWVVPQQYJDMP-NRFANRHFSA-N 2 0 359.464 3.134 20 0 FGADRP Fc1ccc([C@H]([NH2+]CCCN2CC[NH2+]CC2)c2ccccc2Cl)cc1 ZINC000423178060 500352031 /nfs/dbraw/zinc/35/20/31/500352031.db2.gz FPTGGQTVQPJODN-FQEVSTJZSA-N 2 0 361.892 3.453 20 0 FGADRP C[C@@H]([NH2+]CCCN1CC[NH2+]CC1)c1ccccc1OCc1ccccc1 ZINC000423182652 500352459 /nfs/dbraw/zinc/35/24/59/500352459.db2.gz QVVVXTSKVBFLER-LJQANCHMSA-N 2 0 353.510 3.212 20 0 FGADRP C[C@H]([NH2+]CCCN1CC[NH2+]CC1)c1ccccc1OCc1ccccc1 ZINC000423182651 500352667 /nfs/dbraw/zinc/35/26/67/500352667.db2.gz QVVVXTSKVBFLER-IBGZPJMESA-N 2 0 353.510 3.212 20 0 FGADRP Brc1ccccc1[C@H]([NH2+]CCN1CC[NH2+]CC1)c1ccccc1 ZINC000423209117 500355276 /nfs/dbraw/zinc/35/52/76/500355276.db2.gz UQUHOQRJNAPEBH-LJQANCHMSA-N 2 0 374.326 3.033 20 0 FGADRP C[C@@H]([NH3+])c1ccc(C[NH2+][C@@H](C)c2cccc(N3CCCS3(=O)=O)c2)cc1 ZINC000423293927 500362498 /nfs/dbraw/zinc/36/24/98/500362498.db2.gz SNQPOLPLRIKIRG-CVEARBPZSA-N 2 0 373.522 3.097 20 0 FGADRP [NH3+][C@H](CC1CCCCC1)C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000423331657 500364560 /nfs/dbraw/zinc/36/45/60/500364560.db2.gz MSHOVRFPFYVTBF-HXUWFJFHSA-N 2 0 361.505 3.204 20 0 FGADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC000427197395 500365828 /nfs/dbraw/zinc/36/58/28/500365828.db2.gz CPNOXWGZCBBILI-ICSRJNTNSA-N 2 0 357.542 3.135 20 0 FGADRP CC(C)(C(=O)NC1CC[NH+](CC2CCCC2)CC1)[C@@H]([NH3+])c1ccccc1 ZINC000423357068 500367077 /nfs/dbraw/zinc/36/70/77/500367077.db2.gz LESNIJJSAPQBRM-FQEVSTJZSA-N 2 0 357.542 3.483 20 0 FGADRP C[NH2+]CCc1ccccc1C(=O)N[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000423360357 500367628 /nfs/dbraw/zinc/36/76/28/500367628.db2.gz LHJOPGKPCXBYEB-PXNSSMCTSA-N 2 0 351.494 3.014 20 0 FGADRP C[C@H]([NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc(-c2ccccc2)o1 ZINC000423376441 500368707 /nfs/dbraw/zinc/36/87/07/500368707.db2.gz DRNPODGMLMJQDI-KBXCAEBGSA-N 2 0 367.415 3.433 20 0 FGADRP C[C@H]([NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F)[C@@H](C)c1ccc(Cl)cc1 ZINC000423389114 500369464 /nfs/dbraw/zinc/36/94/64/500369464.db2.gz LDXLXLZGKQDHEK-WWGRRREGSA-N 2 0 363.855 3.258 20 0 FGADRP C[C@H](c1ccc(Cl)cc1)[C@H](C)[NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000423389117 500369616 /nfs/dbraw/zinc/36/96/16/500369616.db2.gz LDXLXLZGKQDHEK-XEZPLFJOSA-N 2 0 363.855 3.258 20 0 FGADRP C[C@@H]([NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc(C(F)(F)F)cc1 ZINC000423393883 500369686 /nfs/dbraw/zinc/36/96/86/500369686.db2.gz RMZQMHYCMJYGSL-BXUZGUMPSA-N 2 0 369.353 3.192 20 0 FGADRP C[C@H]([NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F)[C@@H](C)c1ccc(Cl)cc1 ZINC000423389107 500369813 /nfs/dbraw/zinc/36/98/13/500369813.db2.gz LDXLXLZGKQDHEK-DVOMOZLQSA-N 2 0 363.855 3.258 20 0 FGADRP C[C@H](CCc1ccc(I)cc1)[NH2+][C@@H]1CC[NH2+]C[C@H]1C ZINC000423406317 500370911 /nfs/dbraw/zinc/37/09/11/500370911.db2.gz UPRHEQZPHRLJFK-XJKCOSOUSA-N 2 0 372.294 3.200 20 0 FGADRP COCC1(C[NH2+][C@H]2CCc3cc(Br)ccc32)CC[NH2+]CC1 ZINC000423405462 500371253 /nfs/dbraw/zinc/37/12/53/500371253.db2.gz JHNFCEFDQVACJB-INIZCTEOSA-N 2 0 353.304 3.042 20 0 FGADRP COC[C@@]1(CN[C@H](c2cccc(OC(F)(F)F)c2)C2CC2)CCC[NH2+]1 ZINC000423417235 500373258 /nfs/dbraw/zinc/37/32/58/500373258.db2.gz SCDDIXWSCTWIDV-IRXDYDNUSA-N 2 0 358.404 3.395 20 0 FGADRP COC[C@]1(C[NH2+][C@H](Cc2ccccc2Br)C2CC2)CCC[NH2+]1 ZINC000423418515 500373265 /nfs/dbraw/zinc/37/32/65/500373265.db2.gz USMHSVOHJOIEET-QZTJIDSGSA-N 2 0 367.331 3.128 20 0 FGADRP CC[N@H+](CCNC(=O)[C@@H]1CCC[NH+]1Cc1ccccc1)CCC(F)(F)F ZINC000427252685 500374144 /nfs/dbraw/zinc/37/41/44/500374144.db2.gz YCMLTPQQDZXMQL-KRWDZBQOSA-N 2 0 371.447 3.042 20 0 FGADRP C[C@@H](Nc1nc2ccc(F)cc2n1C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000431416049 500374507 /nfs/dbraw/zinc/37/45/07/500374507.db2.gz ULSIDNPFRVYXNK-NVXWUHKLSA-N 2 0 352.457 3.457 20 0 FGADRP C[C@H]([NH2+][C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)c1cccc(C(F)(F)F)c1 ZINC000423452820 500375809 /nfs/dbraw/zinc/37/58/09/500375809.db2.gz JXZQFFOWWBAOKS-XZOAIXRZSA-N 2 0 369.431 3.003 20 0 FGADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000423461910 500376538 /nfs/dbraw/zinc/37/65/38/500376538.db2.gz OPWODRWVLSVYKX-HRXKGBARSA-N 3 0 353.554 3.393 20 0 FGADRP CC[N@H+](CCNC(=O)c1cccc(C[NH+]2CCCC2)c1)CCC(F)(F)F ZINC000427274978 500376916 /nfs/dbraw/zinc/37/69/16/500376916.db2.gz RNYDIIZSCGGTDY-UHFFFAOYSA-N 2 0 371.447 3.287 20 0 FGADRP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C[C@@H]1CCC[NH2+]CC1 ZINC000427286952 500377703 /nfs/dbraw/zinc/37/77/03/500377703.db2.gz IAZVHJUOARWNPX-TZIWHRDSSA-N 2 0 357.542 3.137 20 0 FGADRP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C[C@H]1CCC[NH2+]CC1 ZINC000427286950 500377832 /nfs/dbraw/zinc/37/78/32/500377832.db2.gz IAZVHJUOARWNPX-FPOVZHCZSA-N 2 0 357.542 3.137 20 0 FGADRP CC(C)[C@@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)c1cc(F)ccc1F ZINC000423518225 500381484 /nfs/dbraw/zinc/38/14/84/500381484.db2.gz ZFSBUJBVPIMSNK-LBXVMSDZSA-N 2 0 351.485 3.468 20 0 FGADRP COc1ccc([C@H](Cc2ccncc2)[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000423543585 500383525 /nfs/dbraw/zinc/38/35/25/500383525.db2.gz NIFQXYJRLOMOMK-KEZQHZCBSA-N 2 0 351.494 3.352 20 0 FGADRP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1ccc(I)cc1 ZINC000423553188 500384385 /nfs/dbraw/zinc/38/43/85/500384385.db2.gz VWDHQXIVOQBLPW-ZGMNHVEMSA-N 2 0 370.278 3.330 20 0 FGADRP C[C@@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+]CCC1=CC[NH2+]CC1 ZINC000423567856 500385349 /nfs/dbraw/zinc/38/53/49/500385349.db2.gz VBYOGGMSJRWUEN-ZDUSSCGKSA-N 2 0 371.403 3.202 20 0 FGADRP C[NH2+]CCC(=O)N(CC[NH+]1CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC000423737719 500397775 /nfs/dbraw/zinc/39/77/75/500397775.db2.gz DBIYJRUWCCZHDQ-UHFFFAOYSA-N 2 0 358.313 3.027 20 0 FGADRP C[C@@H](C(=O)N1CCSc2ccccc21)N1CC[C@@H](Oc2ccncc2)C1 ZINC000431622262 500399700 /nfs/dbraw/zinc/39/97/00/500399700.db2.gz OMWIKBULYCMCAD-DOTOQJQBSA-N 2 0 369.490 3.062 20 0 FGADRP C[C@@H](C(=O)N(CCC[NH+](C)C)Cc1ccc(Cl)c(Cl)c1)[C@H](C)[NH3+] ZINC000423763005 500400375 /nfs/dbraw/zinc/40/03/75/500400375.db2.gz QSBKIQJGZSWRGD-OLZOCXBDSA-N 2 0 360.329 3.257 20 0 FGADRP CC1(C)CC[C@@H](CNC(=O)CCC[NH+]2CCC([NH3+])CC2)c2ccccc21 ZINC000423840428 500410130 /nfs/dbraw/zinc/41/01/30/500410130.db2.gz DXUPJWBFXLNPOD-KRWDZBQOSA-N 2 0 357.542 3.161 20 0 FGADRP CC(C)[NH+]1CCN(c2cccc(NC(=O)[C@H]3CCCC[C@]3(C)[NH3+])c2)CC1 ZINC000423854874 500412449 /nfs/dbraw/zinc/41/24/49/500412449.db2.gz WDTDDUOEBPDCRD-CTNGQTDRSA-N 2 0 358.530 3.063 20 0 FGADRP C[C@@H]1C[C@H](CCNC(=O)C[C@H]2CCCC[C@H]2[NH3+])C[N@@H+]1Cc1ccccc1 ZINC000423912569 500418332 /nfs/dbraw/zinc/41/83/32/500418332.db2.gz WERLGGJKKDGBDJ-GFOJFJKKSA-N 2 0 357.542 3.311 20 0 FGADRP CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000431768163 500421774 /nfs/dbraw/zinc/42/17/74/500421774.db2.gz CUPHMNITULQJJJ-PKOBYXMFSA-N 2 0 366.594 3.449 20 0 FGADRP Cc1cc2c(cc1C)[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1)CCS2 ZINC000427697109 500421928 /nfs/dbraw/zinc/42/19/28/500421928.db2.gz MFFGWABRSQLTBN-WMZOPIPTSA-N 2 0 361.555 3.017 20 0 FGADRP C[N@H+](CCC(=O)N[C@H](c1cccs1)c1ccccc1)C1CC[NH2+]CC1 ZINC000420270864 500431836 /nfs/dbraw/zinc/43/18/36/500431836.db2.gz JVODJVVLIBUXKF-FQEVSTJZSA-N 2 0 357.523 3.028 20 0 FGADRP [NH3+]C1(CNC(=O)c2cccc(C(F)F)c2)CC[NH+](Cc2ccccc2)CC1 ZINC000424019800 500437751 /nfs/dbraw/zinc/43/77/51/500437751.db2.gz MSELNQBTSRUQNU-UHFFFAOYSA-N 2 0 373.447 3.348 20 0 FGADRP COC(=O)c1ccc(-c2nc(C[N@@H+]3CCC[C@@H](CC[NH3+])C3)cs2)cc1 ZINC000420312063 500439391 /nfs/dbraw/zinc/43/93/91/500439391.db2.gz OEGQLRLIDSWRGX-AWEZNQCLSA-N 2 0 359.495 3.158 20 0 FGADRP COc1ccc([C@H](C[NH3+])C[N@@H+]2CC[C@@H](COCc3ccccc3)C2)cc1 ZINC000420313169 500439687 /nfs/dbraw/zinc/43/96/87/500439687.db2.gz XPRMJHFRRVGGKQ-TZIWHRDSSA-N 2 0 354.494 3.276 20 0 FGADRP CCN(C(=O)C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1)[C@H](C)c1ccc(F)cc1 ZINC000420333539 500443307 /nfs/dbraw/zinc/44/33/07/500443307.db2.gz HREKUMISZKMUSN-OXQOHEQNSA-N 2 0 361.505 3.199 20 0 FGADRP Brc1ccc(OCC[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000420330967 500443385 /nfs/dbraw/zinc/44/33/85/500443385.db2.gz BFNSSTIAHRCJBB-HUUCEWRRSA-N 2 0 353.304 3.149 20 0 FGADRP C[C@H](c1ccc(OC(F)(F)F)cc1)[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000420337946 500443934 /nfs/dbraw/zinc/44/39/34/500443934.db2.gz XLOPQOAHUQJNPL-HIFRSBDPSA-N 2 0 358.404 3.334 20 0 FGADRP Fc1ccc(OCc2nc(C[N@H+]3CC[C@H]4C[NH2+]C[C@H]4CC3)cs2)cc1 ZINC000420339550 500444543 /nfs/dbraw/zinc/44/45/43/500444543.db2.gz OHUMFCQVCHWGJJ-GASCZTMLSA-N 2 0 361.486 3.293 20 0 FGADRP CCc1ccc([C@H](C)NC(=O)[C@H](C)[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)cc1 ZINC000420340613 500444921 /nfs/dbraw/zinc/44/49/21/500444921.db2.gz MVXISEXFIQOIQH-XGHQBKJUSA-N 2 0 357.542 3.279 20 0 FGADRP Cc1ccc(F)c(N2CCC[C@H]([NH+]3CCC([C@@H]4CCC[NH2+]4)CC3)C2=O)c1 ZINC000420343005 500444957 /nfs/dbraw/zinc/44/49/57/500444957.db2.gz YAIIVZGJQXXWES-OALUTQOASA-N 2 0 359.489 3.094 20 0 FGADRP CCC[C@H](NC(=O)[C@H](C)[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)c1ccccc1 ZINC000420344273 500445741 /nfs/dbraw/zinc/44/57/41/500445741.db2.gz SJOISRKNTJAWFA-WJMWBRGCSA-N 2 0 357.542 3.354 20 0 FGADRP CC(C)C[C@@H](NC(=O)C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1)c1ccccc1 ZINC000420344822 500445774 /nfs/dbraw/zinc/44/57/74/500445774.db2.gz USNVSMAGTGMPDG-NHCUHLMSSA-N 2 0 357.542 3.354 20 0 FGADRP Fc1ccccc1Oc1ccc(C[N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)cc1F ZINC000420346928 500446231 /nfs/dbraw/zinc/44/62/31/500446231.db2.gz FCLBZDQXJKATKV-QGZVFWFLSA-N 2 0 373.447 3.237 20 0 FGADRP [NH3+][C@H]1CCCO[C@H]1C1CC[NH+](CCOc2ccc3ccccc3c2)CC1 ZINC000420386076 500452392 /nfs/dbraw/zinc/45/23/92/500452392.db2.gz UPIYPUHWQYYRLD-VXKWHMMOSA-N 2 0 354.494 3.437 20 0 FGADRP [NH3+][C@H]1CCO[C@H](C2CC[NH+](CCOc3ccc(F)cc3Cl)CC2)C1 ZINC000420383824 500452552 /nfs/dbraw/zinc/45/25/52/500452552.db2.gz FRHGHHHXVMYEBA-YJBOKZPZSA-N 2 0 356.869 3.076 20 0 FGADRP CC(C)n1cncc1C[NH2+]CCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000424127386 500458373 /nfs/dbraw/zinc/45/83/73/500458373.db2.gz CUEBOOMGMYSSMR-UHFFFAOYSA-N 2 0 355.530 3.156 20 0 FGADRP C[N@H+](Cc1ccco1)Cc1ccccc1C[NH2+][C@H]1CCN(C(C)(C)C)C1=O ZINC000424147946 500460206 /nfs/dbraw/zinc/46/02/06/500460206.db2.gz ZBIOUULSUYWQGL-FQEVSTJZSA-N 2 0 369.509 3.401 20 0 FGADRP CCN1CC[NH+](CCCC[NH2+][C@H](Cc2ccncc2)c2cccs2)CC1 ZINC000424258961 500476510 /nfs/dbraw/zinc/47/65/10/500476510.db2.gz CLWYTDUWSGDXFS-HXUWFJFHSA-N 2 0 372.582 3.434 20 0 FGADRP COc1ccc([C@@H](C)[NH2+]C[C@H](C(C)C)N2CC[NH+](C)CC2)c(Cl)c1 ZINC000424268595 500478959 /nfs/dbraw/zinc/47/89/59/500478959.db2.gz NUWULGWRKPKGDQ-DNVCBOLYSA-N 2 0 353.938 3.271 20 0 FGADRP C[C@@H]1CC2(C[N@@H+]1Cc1ccc(I)cc1)CC[NH2+]CC2 ZINC000424294453 500482335 /nfs/dbraw/zinc/48/23/35/500482335.db2.gz QLNTVPBKUUAWDP-CYBMUJFWSA-N 2 0 370.278 3.255 20 0 FGADRP CN(C)CC[NH+]1CCC(C[NH2+][C@@H](Cc2ccncc2)c2cccs2)CC1 ZINC000424293197 500482601 /nfs/dbraw/zinc/48/26/01/500482601.db2.gz CQGQEIAETPGVTH-FQEVSTJZSA-N 2 0 372.582 3.290 20 0 FGADRP C[C@H]1CC2(C[N@@H+]1CC(=O)Nc1ccc(Cl)c(Cl)c1)CC[NH2+]CC2 ZINC000424301615 500483127 /nfs/dbraw/zinc/48/31/27/500483127.db2.gz XWEGPUCUSZMECI-LBPRGKRZSA-N 2 0 356.297 3.396 20 0 FGADRP C[C@@H](c1cc2ccccc2o1)N(C)C(=O)C[N@@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424302404 500484130 /nfs/dbraw/zinc/48/41/30/500484130.db2.gz ZJXNTOCTCXAUKB-IRXDYDNUSA-N 2 0 369.509 3.416 20 0 FGADRP CN(C[C@H](C[NH3+])c1ccc(F)cc1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000424307106 500484598 /nfs/dbraw/zinc/48/45/98/500484598.db2.gz WVSPZFDHBFCKFN-CTNGQTDRSA-N 2 0 355.501 3.322 20 0 FGADRP C[C@@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000424362367 500492142 /nfs/dbraw/zinc/49/21/42/500492142.db2.gz AARPWULMEAECKT-NILFDRSVSA-N 2 0 359.392 3.162 20 0 FGADRP Cc1cc(C[NH3+])cc(NC(=O)NCC[C@H](C)[N@H+](C)Cc2ccccc2)c1 ZINC000424433070 500504595 /nfs/dbraw/zinc/50/45/95/500504595.db2.gz IAETUGMCCMJYMQ-KRWDZBQOSA-N 2 0 354.498 3.486 20 0 FGADRP Cc1cc(C[NH3+])cc(NC(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2C)c1 ZINC000424442707 500505756 /nfs/dbraw/zinc/50/57/56/500505756.db2.gz YSDHQECRMCVBTN-UHFFFAOYSA-N 2 0 367.497 3.158 20 0 FGADRP Cc1cc(C[NH3+])cc(NC(=O)NC2CC[NH+]([C@H](C)c3ccncc3)CC2)c1 ZINC000424440895 500506189 /nfs/dbraw/zinc/50/61/89/500506189.db2.gz VSGDZSAOWVHUMC-MRXNPFEDSA-N 2 0 367.497 3.196 20 0 FGADRP C[NH+](C)C1CCC(NC(=O)NC[C@@]2(C)CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000420839717 500513569 /nfs/dbraw/zinc/51/35/69/500513569.db2.gz TURZATLREOOHJQ-QETWGEEDSA-N 2 0 372.557 3.213 20 0 FGADRP CCCC[N@H+](C)CC1CC[NH+](Cc2cccc(CN3CCOCC3)c2)CC1 ZINC000420903668 500526912 /nfs/dbraw/zinc/52/69/12/500526912.db2.gz OLZZLTIVORUFHF-UHFFFAOYSA-N 2 0 373.585 3.463 20 0 FGADRP CC[NH+]1CCC(N2CCC[N@H+](Cc3cc(-c4ccccc4)no3)CC2)CC1 ZINC000420982517 500547581 /nfs/dbraw/zinc/54/75/81/500547581.db2.gz PAUBNNHYQGPMMB-UHFFFAOYSA-N 2 0 368.525 3.334 20 0 FGADRP CC[NH+]1CCC(N2CCC[N@H+](Cc3cccc4cccnc43)CC2)CC1 ZINC000420981702 500547933 /nfs/dbraw/zinc/54/79/33/500547933.db2.gz NMTLBBZAICTHQT-UHFFFAOYSA-N 2 0 352.526 3.227 20 0 FGADRP O=C(NCC1([NH+]2CCCCC2)CCCCC1)[C@@H]1C[NH2+]Cc2ccccc21 ZINC000582400541 506202534 /nfs/dbraw/zinc/20/25/34/506202534.db2.gz CDVMDZDWWHEVQZ-HXUWFJFHSA-N 2 0 355.526 3.178 20 0 FGADRP C[N@H+](CCCNC(=O)C1CCC1)C1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC000432813925 500566650 /nfs/dbraw/zinc/56/66/50/500566650.db2.gz PVCHQPBRDJOZEY-CBQGHPETSA-N 2 0 369.553 3.420 20 0 FGADRP CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000442236830 500573727 /nfs/dbraw/zinc/57/37/27/500573727.db2.gz LRYMFTJFZICDRY-ZUPWUQBJSA-N 2 0 366.594 3.307 20 0 FGADRP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@H](CN2CCCC2=O)c2cccc(C(F)(F)F)c2)C1 ZINC000576648588 506205579 /nfs/dbraw/zinc/20/55/79/506205579.db2.gz QDFWOMDFEPMSAR-BRWVUGGUSA-N 2 0 369.431 3.228 20 0 FGADRP Cc1ccc(-c2csc(NC(=O)CCC[NH+]3CCC([NH3+])CC3)n2)s1 ZINC000433113562 500628955 /nfs/dbraw/zinc/62/89/55/500628955.db2.gz CYYBRCBSYKDXED-UHFFFAOYSA-N 2 0 364.540 3.322 20 0 FGADRP CCCC[C@H](NC(=O)CCC[NH+]1CCC([NH3+])CC1)c1ccc(OC)cc1 ZINC000433143152 500634517 /nfs/dbraw/zinc/63/45/17/500634517.db2.gz XMANNXKJSDLOMS-FQEVSTJZSA-N 2 0 361.530 3.246 20 0 FGADRP C[C@H](NC(=O)CCC[NH+]1CCC([NH3+])CC1)c1ccc(Cl)c(Cl)c1 ZINC000433146697 500634813 /nfs/dbraw/zinc/63/48/13/500634813.db2.gz WEIGBNORAYPWIE-LBPRGKRZSA-N 2 0 358.313 3.374 20 0 FGADRP [NH3+]C1CC[NH+](CCCC(=O)NCC2(c3cccs3)CCCCC2)CC1 ZINC000433154606 500635955 /nfs/dbraw/zinc/63/59/55/500635955.db2.gz BFBGFZPQGPMENQ-UHFFFAOYSA-N 2 0 363.571 3.270 20 0 FGADRP Cc1ccc([C@@H](NC(=O)C[N@@H+]2CCC[C@H](CC[NH3+])C2)c2cccs2)cc1 ZINC000443055344 500669753 /nfs/dbraw/zinc/66/97/53/500669753.db2.gz BGLVOXFOMPGWBC-DYESRHJHSA-N 2 0 371.550 3.323 20 0 FGADRP C[C@H](NC(=O)[C@H](C)[N@@H+]1CCC[C@H](CC[NH3+])C1)c1cccc2ccccc21 ZINC000443065399 500672131 /nfs/dbraw/zinc/67/21/31/500672131.db2.gz ZTCAESYMLNGOLY-OKZBNKHCSA-N 2 0 353.510 3.466 20 0 FGADRP C[C@H](C(=O)N[C@@H](C)c1cccc2ccccc21)[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443065402 500672540 /nfs/dbraw/zinc/67/25/40/500672540.db2.gz ZTCAESYMLNGOLY-RCCFBDPRSA-N 2 0 353.510 3.466 20 0 FGADRP CCOc1ccccc1CN1CCN(Cc2cccc3nccn32)[C@H](C)C1 ZINC000443070171 500674401 /nfs/dbraw/zinc/67/44/01/500674401.db2.gz OKVTVPCCIQOPTK-GOSISDBHSA-N 2 0 364.493 3.439 20 0 FGADRP Cc1nn(C)c(C[NH2+]CC2CC[NH+](CCC(C)C)CC2)c1Br ZINC000447939861 500693394 /nfs/dbraw/zinc/69/33/94/500693394.db2.gz GVRMPJPNGWPOTE-UHFFFAOYSA-N 2 0 371.367 3.339 20 0 FGADRP C[C@H]1C[C@@H](NC(=O)[C@@]23CCC[C@@H]2C[NH+](Cc2ccccc2)C3)C[N@@H+]1C1CC1 ZINC000443275575 500702899 /nfs/dbraw/zinc/70/28/99/500702899.db2.gz PVJFGJMJYSSFJJ-JEBQKTDQSA-N 2 0 367.537 3.030 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)NC[C@H]2CCCC[NH+]2C2CC2)C1 ZINC000433567999 500713609 /nfs/dbraw/zinc/71/36/09/500713609.db2.gz KBKBNRZABGUDDW-WSTZPKSXSA-N 2 0 364.578 3.061 20 0 FGADRP c1ccc([C@@H](CNc2cc(N3CCSCC3)ncn2)[NH+]2CCCC2)cc1 ZINC000433621534 500722600 /nfs/dbraw/zinc/72/26/00/500722600.db2.gz JUDJAYXIEDDTDL-GOSISDBHSA-N 2 0 369.538 3.279 20 0 FGADRP CC(C)(CNC(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1)C[NH+]1CCCC1 ZINC000438137859 500743489 /nfs/dbraw/zinc/74/34/89/500743489.db2.gz IJVSNIFLROEFLT-IBGZPJMESA-N 2 0 364.578 3.205 20 0 FGADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)c1ccccc1 ZINC000443630390 500747400 /nfs/dbraw/zinc/74/74/00/500747400.db2.gz OACVPZVXUXUXOT-SJORKVTESA-N 2 0 362.562 3.391 20 0 FGADRP CC(C)[C@H](C(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)[C@@H](C)[NH3+] ZINC000570712667 506214927 /nfs/dbraw/zinc/21/49/27/506214927.db2.gz NLXBGIWQFOMHFH-OLMNPRSZSA-N 2 0 351.922 3.213 20 0 FGADRP CC1(C)C[NH2+][C@H]1C1CCN(C(=O)C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000570718185 506215091 /nfs/dbraw/zinc/21/50/91/506215091.db2.gz RYXDTBBGYXXCNK-NRFANRHFSA-N 2 0 369.553 3.135 20 0 FGADRP O=C(NC[C@H]1CCC[N@@H+]1C1CCCCC1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000438329025 500770813 /nfs/dbraw/zinc/77/08/13/500770813.db2.gz OXFMLAQFOXFUNQ-UXHICEINSA-N 2 0 362.562 3.053 20 0 FGADRP CC(C)c1ccc([C@H](C)[N@@H+]2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)cc1 ZINC000448551326 500771068 /nfs/dbraw/zinc/77/10/68/500771068.db2.gz IKSFIUIHVUCKIB-BBTUJRGHSA-N 2 0 357.542 3.451 20 0 FGADRP CC(C)c1ccc([C@H](C)[N@@H+]2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000448551329 500771248 /nfs/dbraw/zinc/77/12/48/500771248.db2.gz IKSFIUIHVUCKIB-WFXMLNOXSA-N 2 0 357.542 3.451 20 0 FGADRP O=C(NC[C@H]1CCC[N@@H+]1C1CCCCC1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000438344372 500773641 /nfs/dbraw/zinc/77/36/41/500773641.db2.gz GZYQDZGMEULNLB-UXHICEINSA-N 2 0 362.562 3.053 20 0 FGADRP O=C(NC[C@H]1CCC[N@@H+]1C1CCCCC1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000438344374 500773656 /nfs/dbraw/zinc/77/36/56/500773656.db2.gz GZYQDZGMEULNLB-WOJBJXKFSA-N 2 0 362.562 3.053 20 0 FGADRP C[N@H+](CCCn1ccnc1)CC1=Cc2cc(Br)ccc2OC1 ZINC000570729908 506215641 /nfs/dbraw/zinc/21/56/41/506215641.db2.gz ODUDHZMVZAYXHY-UHFFFAOYSA-N 2 0 362.271 3.444 20 0 FGADRP Cc1ccc(C[NH2+]CCCC[NH+]2CCN(c3ncccn3)CC2)cc1Cl ZINC000443978701 500785873 /nfs/dbraw/zinc/78/58/73/500785873.db2.gz LAQBTOUWEOLWRV-UHFFFAOYSA-N 2 0 373.932 3.130 20 0 FGADRP O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000438577290 500804418 /nfs/dbraw/zinc/80/44/18/500804418.db2.gz ROWVIXLZTIVDIB-ROUUACIJSA-N 2 0 361.555 3.408 20 0 FGADRP CCO[C@H]1C[C@]([NH3+])(C(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)C1(C)C ZINC000444162500 500811977 /nfs/dbraw/zinc/81/19/77/500811977.db2.gz AWMSDHGKXONQJB-UGKGYDQZSA-N 2 0 373.541 3.186 20 0 FGADRP O=C(CC[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1)Nc1cc(F)cc(F)c1 ZINC000444226567 500819961 /nfs/dbraw/zinc/81/99/61/500819961.db2.gz PJPLEUWJTYXZQN-GOSISDBHSA-N 2 0 351.441 3.244 20 0 FGADRP Cc1ccc2[nH]c3c(c2c1)CCC[C@@H]3[NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000438834249 500824840 /nfs/dbraw/zinc/82/48/40/500824840.db2.gz ZUUKNWOIFGKSEV-UZLBHIALSA-N 2 0 368.525 3.031 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@H]1C[C@@H]1c1sccc1C ZINC000438909487 500833892 /nfs/dbraw/zinc/83/38/92/500833892.db2.gz DESFMTGRTNOXPC-SQNIBIBYSA-N 2 0 363.571 3.035 20 0 FGADRP Cc1cc(N2CCC([NH2+]C3CC[NH+]([C@@H]4CCC[C@H](C)C4)CC3)CC2)n[nH]1 ZINC000439146045 500863741 /nfs/dbraw/zinc/86/37/41/500863741.db2.gz LADUXSVXIHBRPZ-OXJNMPFZSA-N 2 0 359.562 3.320 20 0 FGADRP CC1(C)CC[NH+](CC2(C[N@@H+]3CCSC(C)(C)CC3)COC2)CCS1 ZINC000434661837 500875374 /nfs/dbraw/zinc/87/53/74/500875374.db2.gz AGZFVHIYXBWRQT-UHFFFAOYSA-N 2 0 372.644 3.438 20 0 FGADRP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]C2CCN(C(=O)C3CC3)CC2)CC1 ZINC000449002206 500892813 /nfs/dbraw/zinc/89/28/13/500892813.db2.gz JQYTTZARDDNAAY-GOSISDBHSA-N 2 0 369.553 3.073 20 0 FGADRP C[C@H]1[C@@H](NC(=O)N(CC[NH+](C)C)C2CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000582439980 506223879 /nfs/dbraw/zinc/22/38/79/506223879.db2.gz YLYWZOZEFAJTAV-RXVVDRJESA-N 2 0 372.557 3.165 20 0 FGADRP CC(C)[C@H](C[NH2+]C1CC[NH+]([C@@H](C)Cc2ccccc2)CC1)N1CCOCC1 ZINC000449070440 500916962 /nfs/dbraw/zinc/91/69/62/500916962.db2.gz KFCMFEOYUKDDBR-REWPJTCUSA-N 2 0 373.585 3.028 20 0 FGADRP C[N@@H+]1CCN(CCC[NH2+]Cc2cc3cccnc3o2)[C@@H](c2ccccc2)C1 ZINC000449075065 500917829 /nfs/dbraw/zinc/91/78/29/500917829.db2.gz MFZGQISWNKGQEI-OAQYLSRUSA-N 2 0 364.493 3.296 20 0 FGADRP C[C@H](C[NH2+]CCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000449080921 500919171 /nfs/dbraw/zinc/91/91/71/500919171.db2.gz AHCRFIXMHROQHN-KZNAEPCWSA-N 2 0 366.571 3.151 20 0 FGADRP CCCC[NH+]1CCC([NH2+]C[C@H](C)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC000449097866 500924987 /nfs/dbraw/zinc/92/49/87/500924987.db2.gz GEEXNLXPMCCDER-INIZCTEOSA-N 2 0 352.544 3.048 20 0 FGADRP CC[N@H+](C)Cc1cccc(C[NH2+]C[C@H](C)c2ccc(S(C)(=O)=O)cc2)c1 ZINC000449131702 500932025 /nfs/dbraw/zinc/93/20/25/500932025.db2.gz OYUZWZWWRXCOPF-KRWDZBQOSA-N 2 0 374.550 3.435 20 0 FGADRP Cc1cccc(CC[NH2+]Cc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)c1 ZINC000449139268 500933034 /nfs/dbraw/zinc/93/30/34/500933034.db2.gz AGVXOOPKKVUVFS-JOCHJYFZSA-N 2 0 365.521 3.025 20 0 FGADRP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+]CCCC[N@@H+]2CCC[C@H]2CO)CC1 ZINC000449148024 500935138 /nfs/dbraw/zinc/93/51/38/500935138.db2.gz IPBJKRJFXFXPGR-FQEVSTJZSA-N 3 0 367.622 3.492 20 0 FGADRP CC[NH+]1CCN(c2ccccc2C[NH+]2CCC([C@H]3CCCO3)CC2)CC1 ZINC000439778974 500936849 /nfs/dbraw/zinc/93/68/49/500936849.db2.gz GEEZMNTUPIHSOU-JOCHJYFZSA-N 2 0 357.542 3.220 20 0 FGADRP COc1cc(C[NH2+]C2CC[NH+]([C@H]3CCC[C@H]3O)CC2)cc2ccccc21 ZINC000449183782 500943302 /nfs/dbraw/zinc/94/33/02/500943302.db2.gz CNGCHBUVTRIXQX-LEWJYISDSA-N 2 0 354.494 3.316 20 0 FGADRP COc1cccc2c(C[NH2+]C3CC[NH+]([C@H]4CCC[C@H]4O)CC3)cccc12 ZINC000449193347 500945210 /nfs/dbraw/zinc/94/52/10/500945210.db2.gz SDBWWGCHWSPJMQ-LEWJYISDSA-N 2 0 354.494 3.316 20 0 FGADRP COc1ccc(Cn2nc(C)c(C[N@@H+]3CCC[C@@H]([C@H](C)[NH3+])C3)c2C)cc1 ZINC000435380535 500963719 /nfs/dbraw/zinc/96/37/19/500963719.db2.gz OQCQSSHXCTYJNU-HNAYVOBHSA-N 2 0 356.514 3.116 20 0 FGADRP COc1cc(C[N@@H+]2CCC[C@H]([C@H](C)[NH3+])C2)ccc1OCc1ccncc1 ZINC000435378954 500963825 /nfs/dbraw/zinc/96/38/25/500963825.db2.gz KTGBLEXNEQOJGO-LPHOPBHVSA-N 2 0 355.482 3.228 20 0 FGADRP C[C@H]([NH3+])[C@H]1CCCN(Cc2cc(Cl)ccc2OC[C@H]2CCCO2)C1 ZINC000435385644 500965078 /nfs/dbraw/zinc/96/50/78/500965078.db2.gz QVTZRPJGQMRGDT-RLFYNMQTSA-N 2 0 352.906 3.457 20 0 FGADRP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3ccc(-n4ccc(C(F)(F)F)n4)cc3)C[C@H]12 ZINC000435387571 500965708 /nfs/dbraw/zinc/96/57/08/500965708.db2.gz ASMRHJVRWALUKB-CWRNSKLLSA-N 2 0 350.388 3.060 20 0 FGADRP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3cn(-c4ccccc4)nc3-c3ccncc3)C[C@H]12 ZINC000435388656 500966089 /nfs/dbraw/zinc/96/60/89/500966089.db2.gz IHNUVQOLCZVWPS-JRGCBEDISA-N 2 0 359.477 3.103 20 0 FGADRP C[NH2+]C[C@@H]1CCCN(Cc2cccc(NC(=O)c3ccc(OC)cc3)c2)C1 ZINC000435390978 500966719 /nfs/dbraw/zinc/96/67/19/500966719.db2.gz UZGMYKUIPCYYQA-SFHVURJKSA-N 2 0 367.493 3.379 20 0 FGADRP [NH3+]C[C@@H]1CCC[N@H+](Cc2cn(Cc3ccccc3)nc2-c2cccnc2)C1 ZINC000435392675 500967001 /nfs/dbraw/zinc/96/70/01/500967001.db2.gz HIMHKHMYYHALGZ-IBGZPJMESA-N 2 0 361.493 3.164 20 0 FGADRP Cc1[nH]nc2ncc(C[N@H+](Cc3ccsc3)[C@H]3CC34CC[NH2+]CC4)cc12 ZINC000435426439 500972903 /nfs/dbraw/zinc/97/29/03/500972903.db2.gz IBOIYCGIBPIPFU-SFHVURJKSA-N 2 0 367.522 3.472 20 0 FGADRP COc1cc(C[N@H+](C)[C@H]2CCC[NH2+]CC2)ccc1OCc1ccncc1 ZINC000435431923 500975061 /nfs/dbraw/zinc/97/50/61/500975061.db2.gz KXRITQVENFSVPV-IBGZPJMESA-N 2 0 355.482 3.243 20 0 FGADRP C[C@@H]1C[C@H](NC(=O)c2ccccc2OCC[N@H+]2CCCC[C@@H]2C)CC[NH+]1C ZINC000607689581 506227654 /nfs/dbraw/zinc/22/76/54/506227654.db2.gz DHSGWOPTECHZBE-IPMKNSEASA-N 2 0 373.541 3.152 20 0 FGADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N(Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435562893 500992666 /nfs/dbraw/zinc/99/26/66/500992666.db2.gz JTYXHTORWCAZIB-JFIYKMOQSA-N 2 0 361.555 3.092 20 0 FGADRP CCN(Cc1nc2sc3c(c2c(N)n1)CCCC3)[C@@H]1CCC[NH2+]CC1 ZINC000435617122 501002436 /nfs/dbraw/zinc/00/24/36/501002436.db2.gz MPDNQAZNPUHVKO-CYBMUJFWSA-N 2 0 359.543 3.116 20 0 FGADRP CCC[NH+]1CCN(c2ccccc2C[NH2+]CCc2scnc2C)CC1 ZINC000449470565 501011100 /nfs/dbraw/zinc/01/11/00/501011100.db2.gz XZQWXNAZTKNQJP-UHFFFAOYSA-N 2 0 358.555 3.316 20 0 FGADRP CN(c1ccccc1C[NH2+][C@H]([C@@H](CO)C1CC1)C1CC1)C1CC[NH+](C)CC1 ZINC000449507158 501020550 /nfs/dbraw/zinc/02/05/50/501020550.db2.gz LSZGDNQVHBVFQK-GMAHTHKFSA-N 2 0 371.569 3.104 20 0 FGADRP C[C@@H](C(=O)N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000440670725 501037199 /nfs/dbraw/zinc/03/71/99/501037199.db2.gz NQNKIGANCCSFEX-WTGUMLROSA-N 2 0 357.542 3.371 20 0 FGADRP C[NH2+]CCCN1CCc2c(cccc2NC(=O)Nc2ccc(F)cc2)C1 ZINC000435884570 501041449 /nfs/dbraw/zinc/04/14/49/501041449.db2.gz UMIMTXOZEOLAPA-UHFFFAOYSA-N 2 0 356.445 3.437 20 0 FGADRP CCC[N@@H+]1CC[C@@H](CNC(=O)NCC[NH+]2CCC3(CCCCC3)CC2)C1 ZINC000440924603 501063900 /nfs/dbraw/zinc/06/39/00/501063900.db2.gz OHBGMQSRPKXDHD-IBGZPJMESA-N 2 0 364.578 3.064 20 0 FGADRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2cccc(F)c2Br)CC1 ZINC000449744722 501072966 /nfs/dbraw/zinc/07/29/66/501072966.db2.gz JJOAMGOJFJYXAU-UHFFFAOYSA-N 2 0 372.326 3.094 20 0 FGADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2CCc1cccc(OC(F)(F)F)c1 ZINC000441248806 501108385 /nfs/dbraw/zinc/10/83/85/501108385.db2.gz AZCXZINDFMOSPM-KBAYOESNSA-N 2 0 372.431 3.311 20 0 FGADRP CC(C)[NH+](Cc1cc(C[N@@H+](C[C@H](C)O)C(C)C)ccc1F)C[C@H](C)O ZINC000450395904 501111592 /nfs/dbraw/zinc/11/15/92/501111592.db2.gz UTUMQGAXTBQGHR-IRXDYDNUSA-N 2 0 354.510 3.008 20 0 FGADRP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH+]2CCC[C@H]3CCC[C@@H]32)CC1 ZINC000441449258 501141565 /nfs/dbraw/zinc/14/15/65/501141565.db2.gz IWGZCGFEKLMUAL-IRLDBZIGSA-N 2 0 369.553 3.294 20 0 FGADRP C[C@@H]([NH2+]C1(CNC(=O)NCC2([NH+](C)C)CCC2)CCCC1)c1ccccc1 ZINC000446617472 501142343 /nfs/dbraw/zinc/14/23/43/501142343.db2.gz MMHBYRMMWFGTRR-GOSISDBHSA-N 2 0 372.557 3.434 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccc2ccccc2c1O ZINC000436531103 501149139 /nfs/dbraw/zinc/14/91/39/501149139.db2.gz DNTYEPVHJPONLA-SFHVURJKSA-N 2 0 369.509 3.034 20 0 FGADRP CC(C)[NH+]1CCC([N@H+](C)C[C@@H](O)Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000446839792 501171742 /nfs/dbraw/zinc/17/17/42/501171742.db2.gz CDJRJALLFWJMQO-SFHVURJKSA-N 2 0 358.448 3.413 20 0 FGADRP CC(C)[C@H](COCc1ccccc1)[NH2+]C1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000446936594 501183708 /nfs/dbraw/zinc/18/37/08/501183708.db2.gz NVWLHWXSNNOEFX-FKBYEOEOSA-N 2 0 360.542 3.195 20 0 FGADRP C[NH+](C)CC1CCC(NC(=O)C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000441948693 501187360 /nfs/dbraw/zinc/18/73/60/501187360.db2.gz MLNBLULDTHLHJK-UHFFFAOYSA-N 2 0 357.542 3.135 20 0 FGADRP Cc1ncsc1C[N@H+](C)C[C@@H]1CCN(CC[NH+](C)Cc2ccccc2)C1 ZINC000450875724 501222631 /nfs/dbraw/zinc/22/26/31/501222631.db2.gz NXHHBZFXNSGXIV-FQEVSTJZSA-N 2 0 372.582 3.337 20 0 FGADRP Cc1ncsc1C[NH+](C)C[C@H]1CCN(C[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC000450878766 501223217 /nfs/dbraw/zinc/22/32/17/501223217.db2.gz TXOCNTBSNWZYNZ-RTBURBONSA-N 2 0 364.603 3.468 20 0 FGADRP CC(C)=CCC[C@@H](C)NC(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1 ZINC000455265382 501258466 /nfs/dbraw/zinc/25/84/66/501258466.db2.gz COBZAIQHIKOMIB-LJQANCHMSA-N 2 0 364.578 3.371 20 0 FGADRP CCn1ccnc1[C@@H](C)[NH2+]CCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000453088273 501266426 /nfs/dbraw/zinc/26/64/26/501266426.db2.gz WKTIQYHNNOZIID-LJQANCHMSA-N 2 0 355.530 3.156 20 0 FGADRP O=C1CCCCN1CCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000453088180 501266532 /nfs/dbraw/zinc/26/65/32/501266532.db2.gz ADLBBBFFALNMKO-BHDDXSALSA-N 2 0 369.553 3.422 20 0 FGADRP CC(=O)N1CCC(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)CC1 ZINC000453106002 501270049 /nfs/dbraw/zinc/27/00/49/501270049.db2.gz YCQXJUZBCREWQX-DNVJHFABSA-N 2 0 369.553 3.278 20 0 FGADRP C[NH+]1CCC(O)(C[NH2+][C@H]2CCCCc3ccc(Br)cc32)CC1 ZINC000453130791 501275353 /nfs/dbraw/zinc/27/53/53/501275353.db2.gz SVGFMZXBSGKMNE-KRWDZBQOSA-N 2 0 367.331 3.263 20 0 FGADRP CCCOc1c(OC)cc(CC[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1OC ZINC000453312568 501312485 /nfs/dbraw/zinc/31/24/85/501312485.db2.gz VGVFAIVQUQNVTP-DOTOQJQBSA-N 2 0 350.503 3.107 20 0 FGADRP CNC(=O)C[C@@H](C)[NH2+][C@@H](CCC[NH+]1CCC(C)CC1)c1ccc(F)cc1 ZINC000453386336 501323628 /nfs/dbraw/zinc/32/36/28/501323628.db2.gz VECIOQNBZRTFAU-XLIONFOSSA-N 2 0 363.521 3.493 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCO[C@@H](c3ccccn3)C2)[C@H](C)C1 ZINC000453385963 501323848 /nfs/dbraw/zinc/32/38/48/501323848.db2.gz VJXGRVDMPOKOMD-WERVVEIQSA-N 2 0 361.530 3.028 20 0 FGADRP Cn1cc(C[N@@H+]2CCCCC[C@@H]2C2CC[NH+](Cc3ccccc3)CC2)nn1 ZINC000453592707 501356258 /nfs/dbraw/zinc/35/62/58/501356258.db2.gz AZTABZRODFXICQ-JOCHJYFZSA-N 2 0 367.541 3.472 20 0 FGADRP Cc1cc(Br)c(C[NH2+]CC2CC[NH+](CCN(C)C)CC2)s1 ZINC000453596113 501357483 /nfs/dbraw/zinc/35/74/83/501357483.db2.gz WZSOMDVAMROYQH-UHFFFAOYSA-N 2 0 374.392 3.182 20 0 FGADRP Cc1cc(NC(=O)c2ccc(C[NH+](C)C)cc2)ccc1OCC[NH+](C)C ZINC000458193616 501388982 /nfs/dbraw/zinc/38/89/82/501388982.db2.gz JETITKOCPPGSPJ-UHFFFAOYSA-N 2 0 355.482 3.249 20 0 FGADRP CCc1ccc([C@@H](CNC(=O)N(CC[NH+](C)C)CC(C)C)[NH+](C)C)cc1 ZINC000611671315 506250576 /nfs/dbraw/zinc/25/05/76/506250576.db2.gz UWGLMAYPNHDYHO-HXUWFJFHSA-N 2 0 362.562 3.081 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)N1CCC[C@H]([NH+]2CCCC2)C1)c1ccccc1 ZINC000611675185 506250657 /nfs/dbraw/zinc/25/06/57/506250657.db2.gz QUXOAKUJYJFQTL-SFTDATJTSA-N 2 0 372.557 3.339 20 0 FGADRP C[NH+](C)[C@@H]1CCc2cc(NC(=O)N3CC[C@]4(C3)CCC[N@H+](C)C4)ccc21 ZINC000455864517 501402384 /nfs/dbraw/zinc/40/23/84/501402384.db2.gz SYYXJAJUFQVAGU-TZIWHRDSSA-N 2 0 356.514 3.185 20 0 FGADRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2ccc(Cl)c3cccnc23)CC1 ZINC000451989426 501414256 /nfs/dbraw/zinc/41/42/56/501414256.db2.gz QOJPZJWDIQWSQS-UHFFFAOYSA-N 2 0 360.933 3.394 20 0 FGADRP C[C@H](CNC(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C)C[NH+]1CCCCC1 ZINC000455938506 501420758 /nfs/dbraw/zinc/42/07/58/501420758.db2.gz SSPCJNILCHWNME-OXQOHEQNSA-N 2 0 358.530 3.479 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)[C@@H](C)C1 ZINC000455944827 501422487 /nfs/dbraw/zinc/42/24/87/501422487.db2.gz WBFLLKVGDKSTDK-YSSFQJQWSA-N 2 0 358.530 3.430 20 0 FGADRP C[C@H]1C[C@@H](NC(=O)NC(C)(C)C[NH+]2CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000458481502 501454649 /nfs/dbraw/zinc/45/46/49/501454649.db2.gz DADXPDMJFQDFKR-ICSRJNTNSA-N 2 0 372.557 3.213 20 0 FGADRP C[C@@H](NC(=O)NC(C)(C)CCC[NH+](C)C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000458625458 501492315 /nfs/dbraw/zinc/49/23/15/501492315.db2.gz DYRWRWVZZQPRIU-SJORKVTESA-N 2 0 352.567 3.059 20 0 FGADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)NCCCCC[NH+]1CCCC1 ZINC000454788495 501629709 /nfs/dbraw/zinc/62/97/09/501629709.db2.gz BCBJHIGGCRQWDQ-FPOVZHCZSA-N 2 0 372.557 3.072 20 0 FGADRP Fc1cccc(F)c1N1CC[C@H]([NH2+]C2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000459425199 501652103 /nfs/dbraw/zinc/65/21/03/501652103.db2.gz BBBLASVYUDAWIZ-INIZCTEOSA-N 2 0 358.436 3.197 20 0 FGADRP C[C@H]([NH2+]C1(CNC2CC[NH+](C3CC3)CC2)CCOCC1)c1ccccc1 ZINC000459445627 501654964 /nfs/dbraw/zinc/65/49/64/501654964.db2.gz NDTXTFWWEDFQJY-SFHVURJKSA-N 2 0 357.542 3.103 20 0 FGADRP CC(=O)N1CC[C@@H]([NH2+]C2CCN(c3cc[nH+]cc3)CC2)c2ccccc21 ZINC000459449521 501656093 /nfs/dbraw/zinc/65/60/93/501656093.db2.gz ZIVUFYZOIXOWLT-HXUWFJFHSA-N 2 0 350.466 3.138 20 0 FGADRP C[N@H+](CCCCNC(=O)[C@@H]1CCC[NH+](Cc2cccc(F)c2)C1)C1CC1 ZINC000457195142 501663865 /nfs/dbraw/zinc/66/38/65/501663865.db2.gz GGKJONITBMLYIK-GOSISDBHSA-N 2 0 361.505 3.028 20 0 FGADRP COc1cc(Br)c(C[NH2+]CC[C@@H]2CCC[N@H+](C)C2)c(OC)c1 ZINC000459723935 501704522 /nfs/dbraw/zinc/70/45/22/501704522.db2.gz DJJCUDZBBGFGEK-ZDUSSCGKSA-N 2 0 371.319 3.288 20 0 FGADRP C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000459728029 501705276 /nfs/dbraw/zinc/70/52/76/501705276.db2.gz CKTZBTJRBPMTHJ-IAGOWNOFSA-N 2 0 365.949 3.399 20 0 FGADRP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)NCc2ccccc2C[NH+]2CCCCC2)C1 ZINC000457545738 501719325 /nfs/dbraw/zinc/71/93/25/501719325.db2.gz YGXPXTMOGSDGJA-OAQYLSRUSA-N 2 0 372.557 3.297 20 0 FGADRP CCCN(C(=O)c1ccnc(C[NH3+])c1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000463479066 501735648 /nfs/dbraw/zinc/73/56/48/501735648.db2.gz PLSGFKDQHNKHQS-NRFANRHFSA-N 2 0 366.509 3.057 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)c1ccnc(C[NH3+])c1)c1ccccc1Cl ZINC000463486765 501739384 /nfs/dbraw/zinc/73/93/84/501739384.db2.gz KSYRQVXSVYIIDX-GOSISDBHSA-N 2 0 360.889 3.007 20 0 FGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000470603050 501739988 /nfs/dbraw/zinc/73/99/88/501739988.db2.gz SAZSSKJTXLBWRD-IAGOWNOFSA-N 2 0 371.447 3.299 20 0 FGADRP CC(C)[C@H](C[NH2+][C@@H](C)Cc1cccc(C(F)(F)F)c1)N1CC[NH+](C)CC1 ZINC000467308441 501767896 /nfs/dbraw/zinc/76/78/96/501767896.db2.gz PEQRRJRYDCKDFR-LPHOPBHVSA-N 2 0 371.491 3.498 20 0 FGADRP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]CCN2CCc3ccccc3C2=O)CC1 ZINC000467367756 501779176 /nfs/dbraw/zinc/77/91/76/501779176.db2.gz ZTZGHMWVFKFIOX-XMSQKQJNSA-N 2 0 369.553 3.318 20 0 FGADRP CC[NH+]1CCC([NH2+]Cc2ccc(I)c(C)c2)CC1 ZINC000467379387 501781661 /nfs/dbraw/zinc/78/16/61/501781661.db2.gz YJKKLTYZJILLCZ-UHFFFAOYSA-N 2 0 358.267 3.174 20 0 FGADRP C[C@@H]1CCC[N@H+](CCNC(=O)N(C)[C@@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000470736893 501787638 /nfs/dbraw/zinc/78/76/38/501787638.db2.gz KXUFGMLUJYGOQJ-TZIWHRDSSA-N 2 0 372.557 3.024 20 0 FGADRP CN(C(=O)NCCC[NH+]1CCCCC1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000470742533 501789957 /nfs/dbraw/zinc/78/99/57/501789957.db2.gz CRTHWZCCRMFTNB-OAQYLSRUSA-N 2 0 372.557 3.168 20 0 FGADRP C[NH+](C)C1(CNC(=O)N2CC[C@H](C[N@H+](C)CC3CC3)C2)CCCCCC1 ZINC000470747906 501790225 /nfs/dbraw/zinc/79/02/25/501790225.db2.gz UBVOXQFIECMIEC-LJQANCHMSA-N 2 0 364.578 3.014 20 0 FGADRP C[NH+](C)[C@@H](CNC(=O)C[N@@H+]1CCC[C@H]1Cc1ccccc1)c1ccccc1 ZINC000460373380 501807812 /nfs/dbraw/zinc/80/78/12/501807812.db2.gz DUXVVOJYNNTIDW-VXKWHMMOSA-N 2 0 365.521 3.113 20 0 FGADRP CC[C@H](C)[NH2+][C@H](CNC(=O)NC1CC[NH+](CC(C)C)CC1)c1ccco1 ZINC000477884691 501820051 /nfs/dbraw/zinc/82/00/51/501820051.db2.gz WZZNROWQWKNNRM-FUHWJXTLSA-N 2 0 364.534 3.128 20 0 FGADRP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+]2CCCC3(CCC3)C2)CC1 ZINC000470865242 501834581 /nfs/dbraw/zinc/83/45/81/501834581.db2.gz FLWTVPBMSPCIFO-UHFFFAOYSA-N 2 0 369.553 3.342 20 0 FGADRP O=C(C[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2)NC1CCCC1 ZINC000485499364 501838355 /nfs/dbraw/zinc/83/83/55/501838355.db2.gz XPIAZUFTKICYAQ-UHFFFAOYSA-N 2 0 355.526 3.033 20 0 FGADRP CC(C)[C@@H](C[NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)c1ccccc1 ZINC000474478253 501849816 /nfs/dbraw/zinc/84/98/16/501849816.db2.gz OSTJGQQYYAWZPR-OAQYLSRUSA-N 2 0 352.526 3.363 20 0 FGADRP O=C(CC[N@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1)Nc1ccc(F)cc1 ZINC000470995702 501886761 /nfs/dbraw/zinc/88/67/61/501886761.db2.gz PMLRVBMGNQEALC-KDURUIRLSA-N 2 0 367.468 3.218 20 0 FGADRP CCC(CC)[C@H](CNC(=O)N1C[C@@H]([NH+]2CCCC2)C[C@H]1C)[NH+]1CCCC1 ZINC000478206248 501909668 /nfs/dbraw/zinc/90/96/68/501909668.db2.gz MJFBZACWLSWKSX-HOJAQTOUSA-N 2 0 364.578 3.155 20 0 FGADRP CC(C)C[C@H](CNC(=O)N1CC[N@H+](C)CC[C@@H]1C)[NH2+][C@H](C)c1ccccc1 ZINC000468023065 501932286 /nfs/dbraw/zinc/93/22/86/501932286.db2.gz VDYGVJQGXCSUKE-QKNQBKEWSA-N 2 0 374.573 3.488 20 0 FGADRP CC1CC[NH+](CCc2cccc(NC(=O)c3ccnc(C[NH3+])c3)c2)CC1 ZINC000468028941 501934428 /nfs/dbraw/zinc/93/44/28/501934428.db2.gz DFRPZDVYTIDMKK-UHFFFAOYSA-N 2 0 352.482 3.067 20 0 FGADRP CC(C)[C@@H]1CCC[C@H]([NH2+]CCCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC000474732285 501936036 /nfs/dbraw/zinc/93/60/36/501936036.db2.gz UVJKIPMPBFKYMY-UXHICEINSA-N 2 0 359.562 3.183 20 0 FGADRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N(CC[NH+](C)C)C2CCCC2)C1 ZINC000468047113 501940153 /nfs/dbraw/zinc/94/01/53/501940153.db2.gz GKHZSEILUHPMFB-QGZVFWFLSA-N 2 0 352.567 3.013 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCc2ccn(-c3ccccc3)n2)[C@H](C)C1 ZINC000482038271 501954332 /nfs/dbraw/zinc/95/43/32/501954332.db2.gz YMOCIQRWXXABOT-KNQAVFIVSA-N 2 0 370.541 3.141 20 0 FGADRP COc1ccc(C)cc1[C@@H](C)[NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000482113285 501978688 /nfs/dbraw/zinc/97/86/88/501978688.db2.gz IGTHNCCOBFZGAS-LJQANCHMSA-N 2 0 368.525 3.262 20 0 FGADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc(Cl)cc2-n2cncn2)C1 ZINC000474878625 501978791 /nfs/dbraw/zinc/97/87/91/501978791.db2.gz KTXWQFCZEYHSKM-MRXNPFEDSA-N 2 0 361.921 3.378 20 0 FGADRP C[C@@H]1Cc2ccc(F)cc2[C@H]1[NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000482130270 501983241 /nfs/dbraw/zinc/98/32/41/501983241.db2.gz UVFYRVIFWWEDSZ-VGSWGCGISA-N 2 0 368.500 3.256 20 0 FGADRP C[NH+](C)C1(CNC(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2)CCCCC1 ZINC000468231833 501998162 /nfs/dbraw/zinc/99/81/62/501998162.db2.gz ZLXJQBZAWDBICF-HXUWFJFHSA-N 2 0 357.542 3.422 20 0 FGADRP C[C@@H]1C[C@H](c2ccccc2)C[N@@H+]1CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000475018418 502022388 /nfs/dbraw/zinc/02/23/88/502022388.db2.gz UWNQRBIHSNGEHP-BVYCBKJFSA-N 2 0 365.521 3.284 20 0 FGADRP CN(C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475018679 502023038 /nfs/dbraw/zinc/02/30/38/502023038.db2.gz RZBNMILXEVHMIG-IBGZPJMESA-N 2 0 372.557 3.212 20 0 FGADRP C[C@@H]1[C@@H](c2ccccc2)CC[N@@H+]1CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000475037618 502030865 /nfs/dbraw/zinc/03/08/65/502030865.db2.gz FSROFTIZVCCJCZ-BVYCBKJFSA-N 2 0 365.521 3.284 20 0 FGADRP CCC1(CC)C[N@H+](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)CCS1 ZINC000475128314 502069971 /nfs/dbraw/zinc/06/99/71/502069971.db2.gz LLGAZUWAOGGLRW-SFHVURJKSA-N 2 0 363.571 3.013 20 0 FGADRP C[C@H](CNC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCC[C@@H](C)C1 ZINC000475136782 502075544 /nfs/dbraw/zinc/07/55/44/502075544.db2.gz PFKHECVAVBNQOT-SBHAEUEKSA-N 2 0 372.557 3.023 20 0 FGADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCC[C@H](CC(=O)OC(C)C)C1 ZINC000468486982 502076979 /nfs/dbraw/zinc/07/69/79/502076979.db2.gz JDOKXGBPIFLJKU-QGZVFWFLSA-N 2 0 356.470 3.129 20 0 FGADRP Cc1cccc([C@@H]2CC[N@@H+](CC(=O)NC[C@@H](c3ccccc3)[NH+](C)C)C2)c1 ZINC000475141661 502077830 /nfs/dbraw/zinc/07/78/30/502077830.db2.gz VRHOBGDYRAEYKL-YADHBBJMSA-N 2 0 365.521 3.203 20 0 FGADRP CCN(C(=O)NCC[NH+]1CCC(C)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475170903 502089312 /nfs/dbraw/zinc/08/93/12/502089312.db2.gz OQNDOGHGJLHGQD-OAQYLSRUSA-N 2 0 372.557 3.024 20 0 FGADRP CC(=O)N[C@@H](C)C1CC[NH+](CC(C)(C)C[N@H+](C)Cc2ccccc2)CC1 ZINC000482505829 502092337 /nfs/dbraw/zinc/09/23/37/502092337.db2.gz OKLNGSIQFUJWCM-SFHVURJKSA-N 2 0 359.558 3.381 20 0 FGADRP CC(C)[C@@H](C(=O)NCc1ccccc1C[NH+]1C[C@@H](C)C[C@H](C)C1)[NH+](C)C ZINC000464778191 502092633 /nfs/dbraw/zinc/09/26/33/502092633.db2.gz RRTITAWTJCUXPX-WFXMLNOXSA-N 2 0 359.558 3.367 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)NC[C@H]1CC[N@H+](CC(C)C)C1)c1ccccc1 ZINC000464825200 502107683 /nfs/dbraw/zinc/10/76/83/502107683.db2.gz CFMWQLVOADXIJN-TZIWHRDSSA-N 2 0 374.573 3.347 20 0 FGADRP CC(C)[NH+]1CCC(C(=O)N2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC000461443156 502117119 /nfs/dbraw/zinc/11/71/19/502117119.db2.gz GKTZXEIZMXRHGB-FGZHOGPDSA-N 2 0 369.553 3.087 20 0 FGADRP CC[C@H](C(=O)N[C@@H](C[NH+]1CCCC1)c1ccc(OC)cc1)[NH+](CC)CC ZINC000461501511 502132332 /nfs/dbraw/zinc/13/23/32/502132332.db2.gz BQDTUMDPFBYIFU-VQTJNVASSA-N 2 0 361.530 3.069 20 0 FGADRP CC[NH+]1CCC(NC(=O)C[N@H+](C)[C@H](C)[C@H](C)c2ccc(Cl)cc2)CC1 ZINC000464871588 502132431 /nfs/dbraw/zinc/13/24/31/502132431.db2.gz HOWKIUUXGYFRCP-JKSUJKDBSA-N 2 0 365.949 3.364 20 0 FGADRP CC[C@@H](C(=O)N[C@@H](C[NH+]1CCCC1)c1ccc(OC)cc1)[NH+](CC)CC ZINC000461501509 502132409 /nfs/dbraw/zinc/13/24/09/502132409.db2.gz BQDTUMDPFBYIFU-PMACEKPBSA-N 2 0 361.530 3.069 20 0 FGADRP CC[N@H+](CCC1CC[NH+](Cc2nccc(OC)c2OC)CC1)CC1CC1 ZINC000475328277 502136427 /nfs/dbraw/zinc/13/64/27/502136427.db2.gz HOMXECYDDCPBBM-UHFFFAOYSA-N 2 0 361.530 3.433 20 0 FGADRP CC(C)(CC[NH+]1CCCCCC1)NC(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000475368035 502150225 /nfs/dbraw/zinc/15/02/25/502150225.db2.gz YZJPLPMRHBMMMP-UHFFFAOYSA-N 2 0 364.578 3.347 20 0 FGADRP C[C@H](NC(=O)NCC(C)(C)C[NH+]1CCCC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000479063803 502151262 /nfs/dbraw/zinc/15/12/62/502151262.db2.gz PPFYSZYATYRZGD-ROUUACIJSA-N 2 0 364.578 3.061 20 0 FGADRP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+][C@H]1CCCc2nn(-c3ccccc3)cc21 ZINC000479071687 502154999 /nfs/dbraw/zinc/15/49/99/502154999.db2.gz SYANPPBZVLVRJW-FPOVZHCZSA-N 2 0 368.525 3.076 20 0 FGADRP OCC[NH+]1CCC(C[NH2+][C@@H]2CCCc3cc(Br)ccc32)CC1 ZINC000479083658 502159626 /nfs/dbraw/zinc/15/96/26/502159626.db2.gz WNZRJCWBJWQREW-GOSISDBHSA-N 2 0 367.331 3.120 20 0 FGADRP CC[C@H](C(=O)N(Cc1ccncc1)C[C@H]1CCC[N@@H+]1CC)[NH+](CC)CC ZINC000461642680 502160986 /nfs/dbraw/zinc/16/09/86/502160986.db2.gz NRWCFGBEQCCIMV-WOJBJXKFSA-N 2 0 360.546 3.015 20 0 FGADRP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+][C@@H]1CCCOc2ccc(Cl)cc21 ZINC000482885109 502207302 /nfs/dbraw/zinc/20/73/02/502207302.db2.gz CZXKUQQWOWQCKE-FUHWJXTLSA-N 2 0 352.906 3.380 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)N[C@H](C)C[NH+]1CCCCCC1)c1ccco1 ZINC000482900091 502211512 /nfs/dbraw/zinc/21/15/12/502211512.db2.gz BBYCYEOVDRVLCC-MSOLQXFVSA-N 2 0 364.534 3.226 20 0 FGADRP CCc1ccc([C@@H](CNC(=O)NC[C@H]2CC[N@H+](CC(C)C)C2)[NH+](C)C)cc1 ZINC000465221500 502219073 /nfs/dbraw/zinc/21/90/73/502219073.db2.gz PWRDVOYMIUGVBC-TZIWHRDSSA-N 2 0 374.573 3.129 20 0 FGADRP C[C@H](C[NH+]1CCCCCC1)NC(=O)NCCCCC[NH+]1CCCCC1 ZINC000483075468 502264580 /nfs/dbraw/zinc/26/45/80/502264580.db2.gz GZEAUPZAZQMFMG-LJQANCHMSA-N 2 0 352.567 3.206 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H](NC[C@H]2CC[NH+](Cc3ccccc3)C2)[C@@H](C)C1 ZINC000479468604 502269213 /nfs/dbraw/zinc/26/92/13/502269213.db2.gz YREZBCKAFRYYQI-WWNPGLIZSA-N 2 0 373.585 3.235 20 0 FGADRP CC[N@H+](CCNC(=O)N1CCC(CC[NH+]2CCCC[C@H]2C)CC1)C(C)C ZINC000479523097 502285201 /nfs/dbraw/zinc/28/52/01/502285201.db2.gz PHPLXIILCXLIPQ-LJQANCHMSA-N 2 0 366.594 3.403 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCCC1CCCCC1 ZINC000465542215 502299959 /nfs/dbraw/zinc/29/99/59/502299959.db2.gz LDXRVKNGWYTEOE-LJQANCHMSA-N 2 0 352.567 3.014 20 0 FGADRP CN(Cc1nccn1CC(F)(F)F)C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000483175227 502303607 /nfs/dbraw/zinc/30/36/07/502303607.db2.gz AUHOEDGSTDHWOW-CQSZACIVSA-N 2 0 372.435 3.058 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccc(Cl)c(C)c1 ZINC000469154893 502316894 /nfs/dbraw/zinc/31/68/94/502316894.db2.gz IYKHQLAQTMXQFV-QGZVFWFLSA-N 2 0 351.922 3.137 20 0 FGADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)N[C@H]2CC[NH+](CC3CCCC3)C2)C1 ZINC000465606869 502323134 /nfs/dbraw/zinc/32/31/34/502323134.db2.gz QYGFYXXGFJEZIO-QUCCMNQESA-N 2 0 364.578 3.062 20 0 FGADRP COC(=O)c1ccc(C[N@@H+]2CCCC[C@H]2[C@@H](C[NH3+])Cc2ccccc2)o1 ZINC000472376524 502334384 /nfs/dbraw/zinc/33/43/84/502334384.db2.gz XTHVBFLLVOWBIE-MJGOQNOKSA-N 2 0 356.466 3.238 20 0 FGADRP Brc1ccc([C@H]2C[N@H+](CCC3CC[NH2+]CC3)CCO2)cc1 ZINC000479683995 502343352 /nfs/dbraw/zinc/34/33/52/502343352.db2.gz AZMJNEYMHOLWOB-QGZVFWFLSA-N 2 0 353.304 3.212 20 0 FGADRP CC[NH+]1CCC(CCNC(=O)NCC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000465752935 502371376 /nfs/dbraw/zinc/37/13/76/502371376.db2.gz KDXDEOQELXDXDG-HDICACEKSA-N 2 0 366.594 3.164 20 0 FGADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)N(C)CC[C@@H]2CCCC[NH+]2C)C1 ZINC000465758088 502374034 /nfs/dbraw/zinc/37/40/34/502374034.db2.gz PDUIBSBLLFKXDL-GIVPXCGWSA-N 2 0 372.557 3.338 20 0 FGADRP C[C@@H]1CCc2ccccc2[C@@H]1NC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000476162677 502402304 /nfs/dbraw/zinc/40/23/04/502402304.db2.gz OIGOVWYNTOADMY-WIYYLYMNSA-N 2 0 374.573 3.225 20 0 FGADRP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCC[NH+](CC)C(C)C ZINC000465848655 502402937 /nfs/dbraw/zinc/40/29/37/502402937.db2.gz RWJVICVCYPVVMH-NRFANRHFSA-N 2 0 374.573 3.270 20 0 FGADRP CC[C@@H](C)[N@H+](C)CCNC(=O)N(CC)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000465854870 502403698 /nfs/dbraw/zinc/40/36/98/502403698.db2.gz MYNHRBUILQHLGL-TZIWHRDSSA-N 2 0 374.573 3.270 20 0 FGADRP CCCCCNC(=O)CN1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000483484887 502405914 /nfs/dbraw/zinc/40/59/14/502405914.db2.gz QVJXCCZOWMGQGD-RTWAWAEBSA-N 2 0 357.542 3.279 20 0 FGADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)C[C@@H]1C ZINC000483526649 502422204 /nfs/dbraw/zinc/42/22/04/502422204.db2.gz SGZUUMKSBZDMEK-GHTZIAJQSA-N 2 0 372.557 3.165 20 0 FGADRP CC(C)[C@H](C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1)[NH+](C)C ZINC000483558508 502431494 /nfs/dbraw/zinc/43/14/94/502431494.db2.gz JIGPKKFTJBXAHI-PCCBWWKXSA-N 2 0 357.542 3.086 20 0 FGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000483561601 502431989 /nfs/dbraw/zinc/43/19/89/502431989.db2.gz NQSRSPWYICVXMQ-YPAWHYETSA-N 2 0 369.553 3.374 20 0 FGADRP CC[N@H+](C)[C@H](C(=O)NCc1ccc(CC[NH+](C)C)cc1)c1ccccc1 ZINC000469483030 502434901 /nfs/dbraw/zinc/43/49/01/502434901.db2.gz AFYVNHXTDWDUPF-NRFANRHFSA-N 2 0 353.510 3.100 20 0 FGADRP Cc1[nH+]c2c(n1[C@@H]1CCN(C(=O)c3ccccc3C[NH+](C)C)C1)CCCC2 ZINC000487416737 502438755 /nfs/dbraw/zinc/43/87/55/502438755.db2.gz RBRFKMASKJCSNY-GOSISDBHSA-N 2 0 366.509 3.219 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NC[C@@H](C)c1cccc(C)c1 ZINC000465953363 502438869 /nfs/dbraw/zinc/43/88/69/502438869.db2.gz ADUGBGYKXUIIEX-CTNGQTDRSA-N 2 0 374.573 3.156 20 0 FGADRP CC[C@@H]1CCC[C@H](NC(=O)N(CC[NH+](C)C)C[C@H]2CCC[N@@H+]2CC)C1 ZINC000465991236 502448023 /nfs/dbraw/zinc/44/80/23/502448023.db2.gz ZJJFNKAYPFOUPZ-CEXWTWQISA-N 2 0 352.567 3.013 20 0 FGADRP CCOC(=O)c1ncc(CN2CCC(c3ncc4n3CCCC4)CC2)s1 ZINC000602819821 506313931 /nfs/dbraw/zinc/31/39/31/506313931.db2.gz DTOAASTXSSUXIL-UHFFFAOYSA-N 2 0 374.510 3.232 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@@H](C(C)C)[NH+]2CCC(C)CC2)C[C@@H]1C ZINC000483735688 502479764 /nfs/dbraw/zinc/47/97/64/502479764.db2.gz ZNQXIHUKIHILBU-UFYCRDLUSA-N 2 0 366.594 3.257 20 0 FGADRP C[C@H](CCCC(F)(F)F)[NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000480151417 502485054 /nfs/dbraw/zinc/48/50/54/502485054.db2.gz UKQHUHLLWBSXRA-CQSZACIVSA-N 2 0 365.484 3.324 20 0 FGADRP C[C@@H]1C[NH+](CC2CC[NH+](CCCOCCc3ccccc3)CC2)C[C@@H](C)O1 ZINC000588711549 506316383 /nfs/dbraw/zinc/31/63/83/506316383.db2.gz QCPXWYDWOGUDOJ-NHCUHLMSSA-N 2 0 374.569 3.457 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NCC[C@H](C)[NH+](C)Cc2ccccc2)C[C@@H]1C ZINC000483786048 502492304 /nfs/dbraw/zinc/49/23/04/502492304.db2.gz SWXDJBCOYWKQES-ZJOUEHCJSA-N 2 0 374.573 3.411 20 0 FGADRP CC(C)[C@@H]1CN(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)CC[N@@H+]1C ZINC000487650317 502498539 /nfs/dbraw/zinc/49/85/39/502498539.db2.gz HBMLTMKDIIKVEJ-NRFANRHFSA-N 2 0 372.557 3.154 20 0 FGADRP CN(C(=O)NCc1ccccc1C[NH+]1CCCCC1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000476487020 502502930 /nfs/dbraw/zinc/50/29/30/502502930.db2.gz JYKIKMRMYBPFSI-NRFANRHFSA-N 2 0 370.541 3.051 20 0 FGADRP CC[NH+]1CCN(c2ccc(C[NH2+][C@H](C)CCCC(F)(F)F)cn2)CC1 ZINC000480278111 502522673 /nfs/dbraw/zinc/52/26/73/502522673.db2.gz ZFOYZCFWONDXHT-OAHLLOKOSA-N 2 0 358.452 3.434 20 0 FGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000469753388 502532560 /nfs/dbraw/zinc/53/25/60/502532560.db2.gz SNYFCEOLCJUSKG-DLBZAZTESA-N 2 0 371.447 3.299 20 0 FGADRP C[C@H]1C[C@@H](CC[NH2+]Cc2cn(C(C)(C)C)nn2)C[N@@H+]1Cc1ccccc1 ZINC000480305818 502532768 /nfs/dbraw/zinc/53/27/68/502532768.db2.gz GNWWSQNXVYFHEL-PKOBYXMFSA-N 2 0 355.530 3.423 20 0 FGADRP C[C@@H]([NH2+]CC1(O)CC[NH+](C)CC1)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000484134139 502579255 /nfs/dbraw/zinc/57/92/55/502579255.db2.gz JUFDAPLKRHKSLA-OLZOCXBDSA-N 2 0 361.313 3.196 20 0 FGADRP O[C@H]1CC[N@H+](Cc2cccc(NC3CC[NH+](Cc4ccccc4)CC3)c2)C1 ZINC000462876225 502609532 /nfs/dbraw/zinc/60/95/32/502609532.db2.gz VROQZNWQIIHCFH-QHCPKHFHSA-N 2 0 365.521 3.330 20 0 FGADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000473501992 502613083 /nfs/dbraw/zinc/61/30/83/502613083.db2.gz BTNXQDOCTAWHFD-ZRCGQRJVSA-N 2 0 369.553 3.374 20 0 FGADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H](C)c2ccc(-c3ccncc3)cc2)CC1 ZINC000480619160 502622668 /nfs/dbraw/zinc/62/26/68/502622668.db2.gz XFFLGFCHGBQDHP-RTBURBONSA-N 2 0 352.526 3.425 20 0 FGADRP CC[C@@H](C)[NH2+][C@H](CNC(=O)NC1CC[NH+](C(C)(C)C)CC1)c1ccco1 ZINC000484365745 502633441 /nfs/dbraw/zinc/63/34/41/502633441.db2.gz HDWJJXOBELOMTM-NVXWUHKLSA-N 2 0 364.534 3.271 20 0 FGADRP COC1(C[NH2+]CCCC[NH+]2CCN(c3cccc(C)c3)CC2)CCCC1 ZINC000480664913 502635978 /nfs/dbraw/zinc/63/59/78/502635978.db2.gz NPEJKRULVRGKNN-UHFFFAOYSA-N 2 0 359.558 3.446 20 0 FGADRP CC[C@H](C(=O)Nc1ccc(OCC[N@@H+]2CC[C@@H](C)C2)cc1)[NH+](CC)CC ZINC000470083513 502654470 /nfs/dbraw/zinc/65/44/70/502654470.db2.gz VYEPUWBBOWIIBD-YLJYHZDGSA-N 2 0 361.530 3.466 20 0 FGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC2(c3ccccc3)CCOCC2)[C@@H](C)C1 ZINC000480753835 502662096 /nfs/dbraw/zinc/66/20/96/502662096.db2.gz IWXMGZYSTAQFTE-RBBKRZOGSA-N 2 0 374.569 3.461 20 0 FGADRP C[NH+](C)CC1CC[NH+]([C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)CC1 ZINC000480759059 502662963 /nfs/dbraw/zinc/66/29/63/502662963.db2.gz GOOYOHNKWZLCHX-KRWDZBQOSA-N 2 0 370.324 3.372 20 0 FGADRP CC(C)C[C@H](CNC(=O)N1CC[C@H](C[NH+](C)C)C1)[NH2+][C@@H](C)c1ccccc1 ZINC000484709031 502715322 /nfs/dbraw/zinc/71/53/22/502715322.db2.gz LWHUOSWGHVVBRE-QKNQBKEWSA-N 2 0 374.573 3.345 20 0 FGADRP C[NH+](C)CC1CC[NH+](CCC(=O)Nc2ccccc2Br)CC1 ZINC000480996326 502723955 /nfs/dbraw/zinc/72/39/55/502723955.db2.gz BQLQXMVVMXUWRP-UHFFFAOYSA-N 2 0 368.319 3.051 20 0 FGADRP CC[NH+](CC)CC1CCN(C(=O)NC[C@H](C)[N@H+](C)Cc2ccccc2)CC1 ZINC000477397678 502763749 /nfs/dbraw/zinc/76/37/49/502763749.db2.gz XUELHJHPYCZBDW-IBGZPJMESA-N 2 0 374.573 3.270 20 0 FGADRP CC[N@@H+]1CC[C@H]([NH+](C)CCC(=O)N[C@H]2CCCc3ccccc32)C[C@@H]1C ZINC000484918743 502775780 /nfs/dbraw/zinc/77/57/80/502775780.db2.gz IRBYNWXBBAXHOU-CUWPLCDZSA-N 2 0 357.542 3.375 20 0 FGADRP C[NH+](C)CCOc1ccc(CC[NH2+][C@@H]2CCCC[C@H]2[C@H]2CCOC2)cc1 ZINC000474032388 502785051 /nfs/dbraw/zinc/78/50/51/502785051.db2.gz IXMQZBZVTVQMBA-ILWGZMRPSA-N 2 0 360.542 3.354 20 0 FGADRP CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@@H]1CC[N@H+](C2CC2)[C@@H]1c1cccc(OC)c1 ZINC000477487184 502786867 /nfs/dbraw/zinc/78/68/67/502786867.db2.gz JGBXTGPYTLZJGJ-CDHQVMDDSA-N 2 0 373.541 3.256 20 0 FGADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1cncc(-c2ccccc2)c1 ZINC000467109586 502788288 /nfs/dbraw/zinc/78/82/88/502788288.db2.gz IYTWFLZTQODIOM-UHFFFAOYSA-N 2 0 368.525 3.094 20 0 FGADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N1CCC[NH+](Cc2ccccc2)CC1 ZINC000501024921 502915164 /nfs/dbraw/zinc/91/51/64/502915164.db2.gz OVKGEXGBJIRAIT-OAQYLSRUSA-N 2 0 372.557 3.168 20 0 FGADRP C[N@H+](CCOCCOc1ccccc1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501039159 502919070 /nfs/dbraw/zinc/91/90/70/502919070.db2.gz LHOAXKGCDCUAAO-UHFFFAOYSA-N 2 0 369.509 3.325 20 0 FGADRP COc1ccc2c(c1)C[C@@H](C)[N@@H+](CCCN1CC[NH+](C(C)C)CC1)[C@@H]2C ZINC000501051813 502923286 /nfs/dbraw/zinc/92/32/86/502923286.db2.gz LMOPCIDHVQPBTP-RTBURBONSA-N 2 0 359.558 3.419 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)N[C@H](C)C[NH+]1CCCCC1)c1ccsc1 ZINC000501165833 502951867 /nfs/dbraw/zinc/95/18/67/502951867.db2.gz WEYHTUURCLHXLW-AEFFLSMTSA-N 2 0 366.575 3.305 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N[C@@H](C)C[NH+]1CCCCC1)Cc1ccccc1 ZINC000501195908 502957149 /nfs/dbraw/zinc/95/71/49/502957149.db2.gz DGTIGNFPCJFHKH-FPOVZHCZSA-N 2 0 374.573 3.113 20 0 FGADRP C[C@H]([NH2+]C(C)(C)CNC(=O)N1CC[C@H]([NH+]2CCCC2)[C@H]1C)c1ccccc1 ZINC000497457166 502964161 /nfs/dbraw/zinc/96/41/61/502964161.db2.gz CVRGFINDYOLQNT-NSHGMRRFSA-N 2 0 372.557 3.384 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N[C@H]1CC[NH+](CC2CCCC2)C1 ZINC000513611881 502979551 /nfs/dbraw/zinc/97/95/51/502979551.db2.gz QHLLXDMGFDUAJY-BVYCBKJFSA-N 2 0 369.553 3.135 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cc2cc(C)ccc2o1 ZINC000505760265 502980600 /nfs/dbraw/zinc/98/06/00/502980600.db2.gz OHIFNCZQOKFPCT-SFHVURJKSA-N 2 0 357.498 3.229 20 0 FGADRP COc1ccc(Br)cc1C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000513656261 502992500 /nfs/dbraw/zinc/99/25/00/502992500.db2.gz QYWTVYRKAJPXIN-ARFHVFGLSA-N 2 0 353.304 3.420 20 0 FGADRP C[C@@H]1C[C@@H](C)CN(C(=O)C[NH+]2CCC(C[N@H+](C)Cc3ccccc3)CC2)C1 ZINC000489650171 503004482 /nfs/dbraw/zinc/00/44/82/503004482.db2.gz PXHVMZGCZIDPDE-WOJBJXKFSA-N 2 0 371.569 3.335 20 0 FGADRP CN(c1ccccc1CN1CC[C@H]([NH+]2CCCCC2)C1)C1CC[NH+](C)CC1 ZINC000513733487 503011839 /nfs/dbraw/zinc/01/18/39/503011839.db2.gz RUMUFLAHWWVLBE-QFIPXVFZSA-N 2 0 370.585 3.277 20 0 FGADRP C[NH+](C)CCN(CC1CCCCC1)C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000489758589 503026810 /nfs/dbraw/zinc/02/68/10/503026810.db2.gz NXDDLONZOZASBP-RBUKOAKNSA-N 2 0 352.567 3.013 20 0 FGADRP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)[C@H]([NH3+])c2ccccc2)C1 ZINC000497774615 503037835 /nfs/dbraw/zinc/03/78/35/503037835.db2.gz DRRZGSFNKLBULT-JBYIUTFZSA-N 2 0 365.521 3.481 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000489810468 503040825 /nfs/dbraw/zinc/04/08/25/503040825.db2.gz XCVAUIKKKBPMIT-PMXSJFBMSA-N 2 0 372.557 3.069 20 0 FGADRP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)NC[C@H](c2cccs2)[NH+](C)C)C1 ZINC000501713885 503065729 /nfs/dbraw/zinc/06/57/29/503065729.db2.gz DSKBZMSJBNTNDD-BRWVUGGUSA-N 2 0 366.575 3.018 20 0 FGADRP CC[NH+](CC)CC1CCN(C(=O)NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000501758712 503073195 /nfs/dbraw/zinc/07/31/95/503073195.db2.gz LAWVGZVKYATZNK-OALUTQOASA-N 2 0 366.594 3.118 20 0 FGADRP C[C@H](CNC(=O)c1oc2ccccc2c1C[NH+](C)C)[N@@H+]1CCCC[C@H]1C ZINC000510313089 503090215 /nfs/dbraw/zinc/09/02/15/503090215.db2.gz MQEJONUNXYKZGD-HZPDHXFCSA-N 2 0 357.498 3.487 20 0 FGADRP Cc1ccc([C@@H](CNC(=O)NCCCC[N@H+]2CCC[C@@H](C)C2)[NH+](C)C)cc1 ZINC000514133890 503095777 /nfs/dbraw/zinc/09/57/77/503095777.db2.gz DUTDSLFGRPKKTN-TZIWHRDSSA-N 2 0 374.573 3.409 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)NCC[NH+](C)C2CCCCC2)C1 ZINC000514130176 503095798 /nfs/dbraw/zinc/09/57/98/503095798.db2.gz HMDMCYRGVBCNOJ-KDURUIRLSA-N 2 0 366.594 3.308 20 0 FGADRP CC[C@H]([NH2+]CCCN1CC[NH+](Cc2ccccc2)CC1)c1ccc(F)cn1 ZINC000490116407 503112023 /nfs/dbraw/zinc/11/20/23/503112023.db2.gz ANXAPNQDNZFIIC-NRFANRHFSA-N 2 0 370.516 3.469 20 0 FGADRP CCC[NH+]1CCC(N(C)Cc2cc3c(cc2OC(F)F)OCO3)CC1 ZINC000510468606 503121592 /nfs/dbraw/zinc/12/15/92/503121592.db2.gz FSGJSNUECFAKIY-UHFFFAOYSA-N 2 0 356.413 3.323 20 0 FGADRP C[C@]1(C(=O)N2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)CCCC[NH2+]1 ZINC000510479662 503123140 /nfs/dbraw/zinc/12/31/40/503123140.db2.gz JNMNDFKYEZTFQP-FGZHOGPDSA-N 2 0 355.526 3.033 20 0 FGADRP C[C@@H]1CN(C2CC[NH+](Cc3c[nH]nc3-c3ccc(Cl)cc3)CC2)CCO1 ZINC000510519038 503131332 /nfs/dbraw/zinc/13/13/32/503131332.db2.gz GNWUTQVFOBZCPE-OAHLLOKOSA-N 2 0 374.916 3.415 20 0 FGADRP CCC[NH+]1CCC(CNC(=O)N(CC)CC[NH+]2CCCCCC2)CC1 ZINC000490223050 503134531 /nfs/dbraw/zinc/13/45/31/503134531.db2.gz QYWQKKYWBQORNA-UHFFFAOYSA-N 2 0 352.567 3.016 20 0 FGADRP C[NH+](C)CCOc1cccc(NC(=O)NCCC[NH+]2CCCCCC2)c1 ZINC000514546980 503136782 /nfs/dbraw/zinc/13/67/82/503136782.db2.gz IBLQYVKYMKZQNS-UHFFFAOYSA-N 2 0 362.518 3.015 20 0 FGADRP C[C@H]([NH3+])[C@H](C)NC(=O)c1ccc(SCc2cn3ccccc3n2)cc1 ZINC000514602967 503146681 /nfs/dbraw/zinc/14/66/81/503146681.db2.gz VIDCPKOKBVAPEY-KBPBESRZSA-N 2 0 354.479 3.092 20 0 FGADRP CC[C@H](C)[NH2+][C@@H](CNC(=O)N[C@@H](C)C[NH+]1CCCCCC1)c1ccco1 ZINC000502135362 503149027 /nfs/dbraw/zinc/14/90/27/503149027.db2.gz DPWHCLHFBVDTAO-BZSNNMDCSA-N 2 0 364.534 3.273 20 0 FGADRP C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)[C@@H]2C[C@@]23CC[NH2+]C3)cc1 ZINC000514725026 503177634 /nfs/dbraw/zinc/17/76/34/503177634.db2.gz LKMOHDPMQWCSBA-JTHBVZDNSA-N 2 0 363.505 3.031 20 0 FGADRP Cc1cc(OCCC[C@H](C)[NH2+][C@@H](C)CN2CC[NH+](C)CC2)ccc1Cl ZINC000510754041 503186056 /nfs/dbraw/zinc/18/60/56/503186056.db2.gz SNRHLQIAEMZYKZ-ROUUACIJSA-N 2 0 367.965 3.421 20 0 FGADRP COCC[C@@H]1CCC[C@@H]1[NH2+]CCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000502362651 503186874 /nfs/dbraw/zinc/18/68/74/503186874.db2.gz AMOKXAJLTKHUOM-UNMCSNQZSA-N 2 0 359.558 3.384 20 0 FGADRP CCN(CC[NH+]1CCCCCC1)C(=O)NCc1ccc(CC[NH+](C)C)cc1 ZINC000502408673 503194555 /nfs/dbraw/zinc/19/45/55/503194555.db2.gz YRVMUBBNIHRCLO-UHFFFAOYSA-N 2 0 374.573 3.198 20 0 FGADRP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)NCC2([NH+](C)C)CCCC2)C1 ZINC000506934683 503196806 /nfs/dbraw/zinc/19/68/06/503196806.db2.gz PKQCQWPDQOEYGI-OALUTQOASA-N 2 0 364.578 3.157 20 0 FGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]C/C(C)=C/c2ccccc2COC)CC1 ZINC000510845929 503203743 /nfs/dbraw/zinc/20/37/43/503203743.db2.gz PHMUYPVQXKMSID-SSUIOBEFSA-N 2 0 359.558 3.100 20 0 FGADRP Cc1ccc(-c2nc(CN3CC[C@H]([NH+]4CCN(C)CC4)[C@H](C)C3)cs2)o1 ZINC000490651148 503209328 /nfs/dbraw/zinc/20/93/28/503209328.db2.gz RCEPSUODZOCILD-QAPCUYQASA-N 2 0 374.554 3.169 20 0 FGADRP C[NH+](C)C1(CNC(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)CCCCCC1 ZINC000498605694 503224357 /nfs/dbraw/zinc/22/43/57/503224357.db2.gz JHQFUCOGDBVMCN-HXUWFJFHSA-N 2 0 357.542 3.422 20 0 FGADRP C[NH+](C)Cc1ccccc1C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000498622603 503227279 /nfs/dbraw/zinc/22/72/79/503227279.db2.gz ZGUHHEVWFXCMGU-OAQYLSRUSA-N 2 0 351.494 3.315 20 0 FGADRP CCCC[N@H+](C)CCNC(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000490860791 503237283 /nfs/dbraw/zinc/23/72/83/503237283.db2.gz IEFSSLLSKZIRPH-UHFFFAOYSA-N 2 0 360.546 3.204 20 0 FGADRP COCC[C@@H]1CCC[C@H]1[NH2+]CCCN1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000502688363 503251409 /nfs/dbraw/zinc/25/14/09/503251409.db2.gz WCXMOHDHLPJGLV-KSEOMHKRSA-N 2 0 359.558 3.160 20 0 FGADRP CC(C)C[NH+]1CCN(C(=O)NC2CCC([NH+]3CCC(C)CC3)CC2)CC1 ZINC000502775159 503269123 /nfs/dbraw/zinc/26/91/23/503269123.db2.gz OOTYLOIYVRQOOV-UHFFFAOYSA-N 2 0 364.578 3.013 20 0 FGADRP Cc1ccc(NC(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)c(C)c1 ZINC000498832444 503272511 /nfs/dbraw/zinc/27/25/11/503272511.db2.gz VAXFYNCQLVGZTK-UHFFFAOYSA-N 2 0 367.497 3.032 20 0 FGADRP C[NH+](C)Cc1ccc(C[NH2+]C[C@@H](O)Cc2cccc(Cl)c2)cc1F ZINC000515165791 503283034 /nfs/dbraw/zinc/28/30/34/503283034.db2.gz HDMWGVUCOPBSLS-SFHVURJKSA-N 2 0 350.865 3.234 20 0 FGADRP CC(C)[N@@H+]1CCCN(C(=O)NC2CCC([NH+]3CCC(C)CC3)CC2)CC1 ZINC000502835046 503284401 /nfs/dbraw/zinc/28/44/01/503284401.db2.gz YJNHJLAXJAAXNQ-UHFFFAOYSA-N 2 0 364.578 3.155 20 0 FGADRP c1ccc([C@H](C[NH+]2CCCC2)Nc2ccnc(N3CCCCC3)n2)cc1 ZINC000498910259 503289850 /nfs/dbraw/zinc/28/98/50/503289850.db2.gz KWOGDWKPRVNJTO-IBGZPJMESA-N 2 0 351.498 3.138 20 0 FGADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)N2CCC([NH+]3CCCCC3)CC2)C1 ZINC000502876291 503295542 /nfs/dbraw/zinc/29/55/42/503295542.db2.gz MTJKRDNOVWUQOJ-LJQANCHMSA-N 2 0 364.578 3.158 20 0 FGADRP Cc1cccc(N2CC[NH+](CCCC[NH2+][C@H](C)[C@@H]3CCCOC3)CC2)c1 ZINC000507460294 503302818 /nfs/dbraw/zinc/30/28/18/503302818.db2.gz HVPKLELOOKWTQU-NHCUHLMSSA-N 2 0 359.558 3.302 20 0 FGADRP CC1CC[NH+](Cc2ccc(CNC(=O)N3CC[N@H+](C)CC[C@@H]3C)cc2)CC1 ZINC000502914005 503306539 /nfs/dbraw/zinc/30/65/39/503306539.db2.gz YIBAWRZTAZMLHQ-IBGZPJMESA-N 2 0 372.557 3.154 20 0 FGADRP CC[NH+]1CCC(NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)CC1 ZINC000511584263 503348723 /nfs/dbraw/zinc/34/87/23/503348723.db2.gz CZNODFMPHLNSJJ-FQEVSTJZSA-N 2 0 372.557 3.071 20 0 FGADRP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](CCC(=O)N2CCCc3ccccc32)C1 ZINC000503114946 503350019 /nfs/dbraw/zinc/35/00/19/503350019.db2.gz MCAJGXMJADHLSN-IBGZPJMESA-N 2 0 355.526 3.020 20 0 FGADRP CC(C)[NH+](CCN(C)C(=O)NC[C@@H](C)[N@@H+]1CCc2ccccc2C1)C(C)C ZINC000503185057 503362798 /nfs/dbraw/zinc/36/27/98/503362798.db2.gz PGIDXCYGIBLJPY-LJQANCHMSA-N 2 0 374.573 3.193 20 0 FGADRP O=C(NC[C@H](c1ccco1)N1CCCC1)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000511651711 503363130 /nfs/dbraw/zinc/36/31/30/503363130.db2.gz ZQNWPXAOGTWWTP-WOJBJXKFSA-N 2 0 367.493 3.197 20 0 FGADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000511677202 503367554 /nfs/dbraw/zinc/36/75/54/503367554.db2.gz HWARWAYOFKBGHD-UTKZUKDTSA-N 2 0 351.494 3.314 20 0 FGADRP C[C@@H]1CCC[C@H](C[NH2+]Cc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)C1 ZINC000507948903 503402287 /nfs/dbraw/zinc/40/22/87/503402287.db2.gz DYDRIHFUHCTMDD-LQWHRVPQSA-N 2 0 357.542 3.300 20 0 FGADRP Cc1ccccc1-c1cnc(C[NH+]2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)o1 ZINC000515851878 503411822 /nfs/dbraw/zinc/41/18/22/503411822.db2.gz KIXIPCGHMGUFEI-WIYYLYMNSA-N 2 0 355.482 3.368 20 0 FGADRP CCC[N@@H+]1CCC[C@H]1CNC(=O)N1CCC(CCC[NH+](CC)CC)CC1 ZINC000511920762 503416848 /nfs/dbraw/zinc/41/68/48/503416848.db2.gz RTYGDSYPLHMTFF-FQEVSTJZSA-N 2 0 366.594 3.404 20 0 FGADRP CC(C)[NH+]1CCN(c2cccc(NC(=O)[C@H](C)[NH+]3[C@H](C)CC[C@H]3C)c2)CC1 ZINC000508068127 503422943 /nfs/dbraw/zinc/42/29/43/503422943.db2.gz LUFQLJFZNQGIQM-QRVBRYPASA-N 2 0 372.557 3.417 20 0 FGADRP O=C(NCCCCC[NH+]1CCCC1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000508122677 503436405 /nfs/dbraw/zinc/43/64/05/503436405.db2.gz XIVFQFFXFRYGKM-OAQYLSRUSA-N 2 0 357.542 3.281 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+]C[C@@H](O)COc1ccccc1Cl ZINC000516048188 503436595 /nfs/dbraw/zinc/43/65/95/503436595.db2.gz FKRWVTCGNKCWFW-IAGOWNOFSA-N 2 0 354.922 3.324 20 0 FGADRP CN(C(=O)CC[C@@H]1CCCC[NH+]1C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000499660089 503451528 /nfs/dbraw/zinc/45/15/28/503451528.db2.gz PBIWQPHVOKDGDJ-SFTDATJTSA-N 2 0 357.542 3.374 20 0 FGADRP CCCN(CC[NH+]1CCCCC1)C(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000493911669 503456688 /nfs/dbraw/zinc/45/66/88/503456688.db2.gz HTIAVMXOZIBMKO-LJQANCHMSA-N 2 0 352.567 3.014 20 0 FGADRP C[C@H]1CCC[C@@](CNC(=O)N2CCC(C[NH+]3CCCC3)CC2)([NH+](C)C)C1 ZINC000516154191 503456959 /nfs/dbraw/zinc/45/69/59/503456959.db2.gz KHOOJMXYOFSDAJ-GHTZIAJQSA-N 2 0 364.578 3.014 20 0 FGADRP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cccc(I)c2)[C@H](C)C1 ZINC000516199877 503468695 /nfs/dbraw/zinc/46/86/95/503468695.db2.gz XSCOTVVIOLKSNP-CZUORRHYSA-N 2 0 372.294 3.453 20 0 FGADRP C[C@H]1[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000494068575 503483195 /nfs/dbraw/zinc/48/31/95/503483195.db2.gz IPQMOTRXIDFPPZ-ICSRJNTNSA-N 2 0 357.542 3.278 20 0 FGADRP COC(=O)c1ccc(CN2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)o1 ZINC000512236144 503493999 /nfs/dbraw/zinc/49/39/99/503493999.db2.gz FZXDRWLOBIIKSS-NRFANRHFSA-N 2 0 354.450 3.164 20 0 FGADRP CC(C)[NH+](CCN(C)C(=O)NCCCC[N@@H+]1CCC[C@H](C)C1)C(C)C ZINC000503986025 503504502 /nfs/dbraw/zinc/50/45/02/503504502.db2.gz ZFZXRMKRBLXWOG-IBGZPJMESA-N 2 0 354.583 3.259 20 0 FGADRP C[C@@H]1CCC[C@@](CNC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)([NH+](C)C)C1 ZINC000516394663 503507027 /nfs/dbraw/zinc/50/70/27/503507027.db2.gz HUDYETDREPOTCP-KAGYGMCKSA-N 2 0 357.542 3.278 20 0 FGADRP CC[NH+](CC)CCN(CC(C)C)C(=O)NC1CC[NH+](CC(C)C)CC1 ZINC000504016582 503511068 /nfs/dbraw/zinc/51/10/68/503511068.db2.gz ABLXKPLYYUARIA-UHFFFAOYSA-N 2 0 354.583 3.116 20 0 FGADRP CCC(CC)[C@@H](CNC(=O)NC1CC[NH+](CC(C)C)CC1)[NH+]1CCCC1 ZINC000504033702 503513869 /nfs/dbraw/zinc/51/38/69/503513869.db2.gz GDQJUVAVAISMFB-HXUWFJFHSA-N 2 0 366.594 3.307 20 0 FGADRP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@@](C)(c3ccccc3)C2)CC1 ZINC000512300914 503514092 /nfs/dbraw/zinc/51/40/92/503514092.db2.gz HLJGZHIMWBKQQQ-JOCHJYFZSA-N 2 0 357.542 3.029 20 0 FGADRP COc1ccc(F)c(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)c1 ZINC000512333526 503521717 /nfs/dbraw/zinc/52/17/17/503521717.db2.gz GXRRFKBQPXAPPR-UHFFFAOYSA-N 2 0 350.478 3.159 20 0 FGADRP C[C@H](Cc1ccc(O)cc1)[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000512350696 503526919 /nfs/dbraw/zinc/52/69/19/503526919.db2.gz TWDKOJWAIWDZAQ-UTKZUKDTSA-N 2 0 354.494 3.070 20 0 FGADRP C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000504130424 503528451 /nfs/dbraw/zinc/52/84/51/503528451.db2.gz ZMKMPMSXIUIUPO-MISYRCLQSA-N 2 0 362.562 3.052 20 0 FGADRP C[C@@H]1CCC[C@@](CNC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)([NH+](C)C)C1 ZINC000516559058 503536099 /nfs/dbraw/zinc/53/60/99/503536099.db2.gz RLCPMDLDMXRPQX-SLYNCCJLSA-N 2 0 360.546 3.099 20 0 FGADRP C[C@H]1CCC[C@@](CNC(=O)NCc2ccc(C[NH+](C)C)cc2)([NH+](C)C)C1 ZINC000516560584 503536744 /nfs/dbraw/zinc/53/67/44/503536744.db2.gz TXZHOMCPMNZCJH-LAUBAEHRSA-N 2 0 360.546 3.058 20 0 FGADRP CC(C)[NH+]1CCN(c2cccc(NC(=O)[C@@H](C)[NH+]3CCCCCC3)c2)CC1 ZINC000504198950 503537620 /nfs/dbraw/zinc/53/76/20/503537620.db2.gz GQTMKSSJCIWMAY-LJQANCHMSA-N 2 0 372.557 3.420 20 0 FGADRP CC(C)[NH+]1CCN(c2cccc(NC(=O)C[NH+]3[C@H](C)CC[C@H]3C)c2)CC1 ZINC000504207399 503538411 /nfs/dbraw/zinc/53/84/11/503538411.db2.gz IKDKIRJGOBXUHC-QZTJIDSGSA-N 2 0 358.530 3.028 20 0 FGADRP CC(C)N(CC[NH+](C)C)C(=O)NCC[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000512416602 503543824 /nfs/dbraw/zinc/54/38/24/503543824.db2.gz ANHZPRKFLAZTNC-FPOVZHCZSA-N 2 0 374.573 3.269 20 0 FGADRP C[NH+](C)CCOc1cccc(NC(=O)c2cccc(C[NH+]3CCCC3)c2)c1 ZINC000500101654 503553706 /nfs/dbraw/zinc/55/37/06/503553706.db2.gz ISAVRRKOYZSWIL-UHFFFAOYSA-N 2 0 367.493 3.475 20 0 FGADRP CN1CCN(c2cc[nH+]cc2NC(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000516624394 503553804 /nfs/dbraw/zinc/55/38/04/503553804.db2.gz VVPGUOXKSGWPQN-UHFFFAOYSA-N 2 0 365.264 3.393 20 0 FGADRP O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000504325289 503556126 /nfs/dbraw/zinc/55/61/26/503556126.db2.gz OUWSMFPEHXITGM-SFTDATJTSA-N 2 0 370.541 3.099 20 0 FGADRP COc1ccc([C@@H]([NH2+]CCCC[NH+]2CCN(C)CC2)C(C)C)c(F)c1 ZINC000516642033 503558466 /nfs/dbraw/zinc/55/84/66/503558466.db2.gz HILQILGFIQRAMQ-FQEVSTJZSA-N 2 0 351.510 3.149 20 0 FGADRP Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c(=O)n1C ZINC000494530775 503558789 /nfs/dbraw/zinc/55/87/89/503558789.db2.gz XYAAGJGSRIYARZ-YPAWHYETSA-N 2 0 365.521 3.084 20 0 FGADRP CC[NH+](CC)Cc1cccc(CNC(=O)NCC[N@@H+]2CCC[C@H](C)C2)c1 ZINC000500130015 503561195 /nfs/dbraw/zinc/56/11/95/503561195.db2.gz BTKJDEUMQJCOON-SFHVURJKSA-N 2 0 360.546 3.060 20 0 FGADRP Fc1cncc(C[NH2+]CCCOC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000494558794 503564099 /nfs/dbraw/zinc/56/40/99/503564099.db2.gz GWFPYSPILCDSQP-UHFFFAOYSA-N 2 0 357.473 3.382 20 0 FGADRP Cc1ccccc1[C@H]([C@@H](C)NC(=O)N(C)CC1([NH+](C)C)CCC1)[NH+](C)C ZINC000508842185 503574716 /nfs/dbraw/zinc/57/47/16/503574716.db2.gz BLCRKSJWDAHLIT-MJGOQNOKSA-N 2 0 360.546 3.112 20 0 FGADRP C[C@H](NC(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1)[C@H](c1ccccc1)[NH+](C)C ZINC000508852707 503578351 /nfs/dbraw/zinc/57/83/51/503578351.db2.gz NDJWLKYKWXFTFO-HFSMHLIXSA-N 2 0 372.557 3.051 20 0 FGADRP Cc1nc(CC[NH2+]Cc2ccccc2N(C)C2CC[NH+](C)CC2)c(C)o1 ZINC000500231809 503584133 /nfs/dbraw/zinc/58/41/33/503584133.db2.gz UROHTDOVRVQAIR-UHFFFAOYSA-N 2 0 356.514 3.154 20 0 FGADRP C[NH+](C)CCCN(CCC[NH+](C)C)Cc1ccc(F)cc1Br ZINC000516777243 503585830 /nfs/dbraw/zinc/58/58/30/503585830.db2.gz SIZFYNURRDLRSB-UHFFFAOYSA-N 2 0 374.342 3.294 20 0 FGADRP Cc1ccccc1[C@H]([C@@H](C)NC(=O)N1CCC[C@H]([NH+]2CCCC2)C1)[NH+](C)C ZINC000508894670 503592019 /nfs/dbraw/zinc/59/20/19/503592019.db2.gz GDJMRAMEFDCTHL-DYXWJJEUSA-N 2 0 372.557 3.256 20 0 FGADRP CC(C)[NH+](CCN(C)C(=O)N[C@H](C)[C@@H](c1ccccc1)[NH+](C)C)C(C)C ZINC000508894023 503592402 /nfs/dbraw/zinc/59/24/02/503592402.db2.gz JYNITIOQJZIKCQ-QUCCMNQESA-N 2 0 362.562 3.438 20 0 FGADRP CC[NH+](CC)[C@@H]1CCN(C(=O)N[C@H](C)[C@H](c2ccccc2C)[NH+](C)C)C1 ZINC000508896891 503592959 /nfs/dbraw/zinc/59/29/59/503592959.db2.gz MXHJLNZTQSYYCW-QWFCFKBJSA-N 2 0 360.546 3.112 20 0 FGADRP Cc1ccccc1[C@H]([C@H](C)NC(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1)[NH+](C)C ZINC000508899877 503594858 /nfs/dbraw/zinc/59/48/58/503594858.db2.gz WIDLRQIFHLUZKW-WFXMLNOXSA-N 2 0 374.573 3.358 20 0 FGADRP CCCN(CC[NH+]1CCCC1)C(=O)N[C@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC000508902170 503595323 /nfs/dbraw/zinc/59/53/23/503595323.db2.gz ZXXMTYNCYVUFRP-QUCCMNQESA-N 2 0 360.546 3.195 20 0 FGADRP C[C@@H](NC(=O)N(CC[NH+](C)C)Cc1ccco1)[C@@H](c1ccccc1)[NH+](C)C ZINC000508903906 503596499 /nfs/dbraw/zinc/59/64/99/503596499.db2.gz YLCOEMFMUWUQDP-XLIONFOSSA-N 2 0 372.513 3.044 20 0 FGADRP CC1CC[NH+](CCCCNC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000516844289 503598324 /nfs/dbraw/zinc/59/83/24/503598324.db2.gz XRDNNVDBVFUFFI-NRFANRHFSA-N 2 0 357.542 3.279 20 0 FGADRP C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N2CC[C@@H](C)[C@@H](C[NH3+])C2)C1 ZINC000582715080 506381586 /nfs/dbraw/zinc/38/15/86/506381586.db2.gz LAQDIDLMORPEFC-OPYAIIAOSA-N 2 0 372.557 3.045 20 0 FGADRP C[C@H]1C[NH2+]CC[C@H]1NC(=O)NCc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000516959361 503631073 /nfs/dbraw/zinc/63/10/73/503631073.db2.gz LJTYAIKPIXTFOB-LAUBAEHRSA-N 2 0 372.557 3.248 20 0 FGADRP CC[NH+]1CCC(C[NH2+]C[C@H](O)CO[C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000517025415 503646734 /nfs/dbraw/zinc/64/67/34/503646734.db2.gz RFYCULDSNPXWIK-KXBFYZLASA-N 2 0 354.922 3.100 20 0 FGADRP CC[NH+]1CCN([C@@H](C)C[NH2+]C[C@H](C)c2ccc(C(F)(F)F)cc2)CC1 ZINC000517202630 503671205 /nfs/dbraw/zinc/67/12/05/503671205.db2.gz PFGLSMBLZPWUPZ-HOTGVXAUSA-N 2 0 357.464 3.425 20 0 FGADRP C[C@@H](CCNC(=O)Nc1cccc(OCC[NH+](C)C)c1)[NH+]1CCCCC1 ZINC000543293795 503713889 /nfs/dbraw/zinc/71/38/89/503713889.db2.gz VHVUMAGRTBIOAQ-KRWDZBQOSA-N 2 0 362.518 3.013 20 0 FGADRP C[C@H](CCNC(=O)N[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1)[NH+]1CCCCC1 ZINC000543299871 503716498 /nfs/dbraw/zinc/71/64/98/503716498.db2.gz FBGQNBITVBAZAK-SFHLNBCPSA-N 2 0 372.557 3.386 20 0 FGADRP COCC[N@H+](C)CCC[NH2+][C@H](c1ccc(Br)cc1)C1CC1 ZINC000540260312 503726970 /nfs/dbraw/zinc/72/69/70/503726970.db2.gz ACIZWFSULVWQBL-KRWDZBQOSA-N 2 0 355.320 3.458 20 0 FGADRP CCCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](Cc2cn(-c3cc[nH+]cc3)nc2C)C1 ZINC000543394708 503751528 /nfs/dbraw/zinc/75/15/28/503751528.db2.gz ZGVXNBXORVPWPG-FUHWJXTLSA-N 2 0 369.513 3.093 20 0 FGADRP COc1cc(Br)ccc1CCC[NH2+][C@H]1CC[N@H+](C)C[C@H]1C ZINC000543418283 503762328 /nfs/dbraw/zinc/76/23/28/503762328.db2.gz RZHCQVPREJWVGZ-CJNGLKHVSA-N 2 0 355.320 3.320 20 0 FGADRP COc1ccc2c(c1)[C@H]([NH2+]CCCC[NH+]1CCN(C)CC1)CCCS2 ZINC000527348796 503773928 /nfs/dbraw/zinc/77/39/28/503773928.db2.gz XMXWXGJOFYOJGZ-LJQANCHMSA-N 2 0 363.571 3.239 20 0 FGADRP C[C@H]([NH2+]CCCn1c2ccccc2[nH]c1=O)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000543458986 503780420 /nfs/dbraw/zinc/78/04/20/503780420.db2.gz MOXOAXSVILINGN-IRXDYDNUSA-N 2 0 356.514 3.375 20 0 FGADRP CC(C)[N@@H+](Cc1ccc(NC(=O)[C@H]2CC[NH+](C)C2)cc1)C[C@@H]1CCCCO1 ZINC000537118639 503807932 /nfs/dbraw/zinc/80/79/32/503807932.db2.gz WNEFAFNNWRLOPJ-FPOVZHCZSA-N 2 0 373.541 3.356 20 0 FGADRP CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CC[NH+](CC)CC3)nc2)C12CCCC2 ZINC000540596113 503828382 /nfs/dbraw/zinc/82/83/82/503828382.db2.gz KRGYGIQSWNMSQR-WOJBJXKFSA-N 2 0 372.557 3.051 20 0 FGADRP Cc1ccc(NC(=O)NC(=O)C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)c(C)c1 ZINC000533408674 503834426 /nfs/dbraw/zinc/83/44/26/503834426.db2.gz CEVCXWUFNSMBDT-UHFFFAOYSA-N 2 0 374.529 3.004 20 0 FGADRP C[N@H+]1CC=C(C[NH2+]Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)CC1 ZINC000540645220 503843065 /nfs/dbraw/zinc/84/30/65/503843065.db2.gz IHZJDYXHCORWLK-UHFFFAOYSA-N 2 0 350.388 3.243 20 0 FGADRP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)Cn1cnc2c1CCCC2 ZINC000546719285 503849966 /nfs/dbraw/zinc/84/99/66/503849966.db2.gz LJOPLPHUYNQPSE-FQEVSTJZSA-N 2 0 368.525 3.035 20 0 FGADRP CC[NH+](CC)Cc1ccccc1CNC(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000517885350 503858486 /nfs/dbraw/zinc/85/84/86/503858486.db2.gz RITDDMCXQKTWOD-NRFANRHFSA-N 2 0 372.557 3.298 20 0 FGADRP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1)CC3 ZINC000543702444 503858948 /nfs/dbraw/zinc/85/89/48/503858948.db2.gz AXIUEUGTYOEJPT-QZTJIDSGSA-N 2 0 355.526 3.016 20 0 FGADRP C[N@@H+]1CCN(CCC[NH2+]Cc2ccncc2Cl)[C@H](c2ccccc2)C1 ZINC000527636881 503869541 /nfs/dbraw/zinc/86/95/41/503869541.db2.gz FONWPSTXNBGYCF-FQEVSTJZSA-N 2 0 358.917 3.203 20 0 FGADRP CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)C1(C)C ZINC000537296640 503872292 /nfs/dbraw/zinc/87/22/92/503872292.db2.gz VGCAUHJXQIBIGI-CWFSZBLJSA-N 2 0 363.521 3.432 20 0 FGADRP CC[NH+]1CCC(Nc2ccc(NC(=O)C[NH+]3CCCCCC3)cc2)CC1 ZINC000540735141 503874752 /nfs/dbraw/zinc/87/47/52/503874752.db2.gz RMVSNZHUUGLJIM-UHFFFAOYSA-N 2 0 358.530 3.397 20 0 FGADRP C[NH+]1CCC(N2CCC([NH2+]Cc3ccsc3C(F)(F)F)CC2)CC1 ZINC000527650196 503875262 /nfs/dbraw/zinc/87/52/62/503875262.db2.gz OCGCVADKJRNOGC-UHFFFAOYSA-N 2 0 361.477 3.415 20 0 FGADRP NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+][C@H]2CCC[C@@H](c3ccccc3)CC2)C1 ZINC000527654867 503878027 /nfs/dbraw/zinc/87/80/27/503878027.db2.gz UTMYHLIPZQNSDS-NJYVYQBISA-N 2 0 357.542 3.280 20 0 FGADRP Cc1cc2oc(=O)cc(C[NH+]3CCC(CO[C@@H]4CC[NH2+]C4)CC3)c2cc1C ZINC000530239465 503889923 /nfs/dbraw/zinc/88/99/23/503889923.db2.gz FXIOZGPRPTWAPU-LJQANCHMSA-N 2 0 370.493 3.000 20 0 FGADRP Cc1cc(C)n(-c2ccc(C[NH+]3CCC(CO[C@H]4CC[NH2+]C4)CC3)cc2)n1 ZINC000530240756 503890020 /nfs/dbraw/zinc/89/00/20/503890020.db2.gz NFUCAFDQZUERIH-QFIPXVFZSA-N 2 0 368.525 3.080 20 0 FGADRP FC(F)(F)COc1ccccc1C[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530242755 503890828 /nfs/dbraw/zinc/89/08/28/503890828.db2.gz UYAKWJWBUXMAIJ-QGZVFWFLSA-N 2 0 372.431 3.218 20 0 FGADRP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000518083361 503904306 /nfs/dbraw/zinc/90/43/06/503904306.db2.gz ZDTZIYKRUCUKDE-RTBURBONSA-N 2 0 372.557 3.345 20 0 FGADRP Clc1ccc(-c2noc(CC[N@@H+]3CCCC[C@@H]3[C@@H]3CC[NH2+]C3)n2)cc1 ZINC000518349054 503959322 /nfs/dbraw/zinc/95/93/22/503959322.db2.gz PAXRYJNWZJEAKQ-NVXWUHKLSA-N 2 0 360.889 3.397 20 0 FGADRP COC(=O)COc1ccc(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)cc1 ZINC000544006513 503969271 /nfs/dbraw/zinc/96/92/71/503969271.db2.gz LUKLPXOVHUKJCJ-UHFFFAOYSA-N 2 0 374.525 3.326 20 0 FGADRP CCCCOc1ccc(CN2CC[C@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)cc1 ZINC000537620239 503978885 /nfs/dbraw/zinc/97/88/85/503978885.db2.gz SNQDTLVGQVMWCX-UGKGYDQZSA-N 2 0 359.558 3.323 20 0 FGADRP CC[N@H+](C)Cc1cccc(CNC(=O)[C@H]2CC[NH+](Cc3ccccc3)C2)c1 ZINC000518559550 504015985 /nfs/dbraw/zinc/01/59/85/504015985.db2.gz AVUOAVUGPBFAET-QFIPXVFZSA-N 2 0 365.521 3.277 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CC[NH+](Cc3ccccc3)[C@H]2C)[C@@H](C)C1 ZINC000518597841 504023146 /nfs/dbraw/zinc/02/31/46/504023146.db2.gz RXKAGRGFTIDIAN-MMKMLUHNSA-N 2 0 372.557 3.021 20 0 FGADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)[C@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000530642146 504036395 /nfs/dbraw/zinc/03/63/95/504036395.db2.gz UJZZNVGXFQXVGG-HOTGVXAUSA-N 2 0 372.340 3.049 20 0 FGADRP CC1=CC[N@H+](CCNC(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)CC1 ZINC000547281548 504046138 /nfs/dbraw/zinc/04/61/38/504046138.db2.gz DHTJSMIAOYKOBN-UHFFFAOYSA-N 2 0 370.541 3.489 20 0 FGADRP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCCC[C@H]2CCc2ccccc2)CC1 ZINC000534126982 504047530 /nfs/dbraw/zinc/04/75/30/504047530.db2.gz UBKZFBSNFYYJKD-QFIPXVFZSA-N 2 0 371.569 3.463 20 0 FGADRP C[C@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2)C1CCOCC1 ZINC000518784207 504062902 /nfs/dbraw/zinc/06/29/02/504062902.db2.gz URRHRNFUGUJJTF-UGKGYDQZSA-N 2 0 372.553 3.320 20 0 FGADRP CC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2CC(C)C)C1 ZINC000528113084 504076623 /nfs/dbraw/zinc/07/66/23/504076623.db2.gz HRHLCVVZRIKRQR-YPAWHYETSA-N 2 0 371.569 3.239 20 0 FGADRP C[C@H]([NH2+]CCc1cnc(C2CC2)nc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000537938961 504090516 /nfs/dbraw/zinc/09/05/16/504090516.db2.gz YJLDVIVOWRFCAO-INIZCTEOSA-N 2 0 354.498 3.188 20 0 FGADRP CC[NH+](CC)[C@H](C(=O)NC1CC[NH+](C)CC1)c1cccc(C(F)(F)F)c1 ZINC000530831537 504100277 /nfs/dbraw/zinc/10/02/77/504100277.db2.gz ARDNLIJXSKGASF-KRWDZBQOSA-N 2 0 371.447 3.299 20 0 FGADRP Cc1cc([C@@H]([NH2+]C[C@H](C)CN2CC[NH+](C)CC2)c2cccnc2)ccc1F ZINC000544357344 504101554 /nfs/dbraw/zinc/10/15/54/504101554.db2.gz KQSPFNHFSSCFPT-HTAPYJJXSA-N 2 0 370.516 3.092 20 0 FGADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H](O)COc2ccccc2C(F)(F)F)C[C@H]1C ZINC000541351289 504102297 /nfs/dbraw/zinc/10/22/97/504102297.db2.gz XWQITUZRBBFNBU-PMPSAXMXSA-N 2 0 374.447 3.250 20 0 FGADRP C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)NCCCCC[NH+]1CCCCC1 ZINC000518974171 504107584 /nfs/dbraw/zinc/10/75/84/504107584.db2.gz UQHWZDNPNMLOCL-OALUTQOASA-N 2 0 352.567 3.205 20 0 FGADRP C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)NCC2=CC[NH+](C)CC2)c1 ZINC000541436568 504128528 /nfs/dbraw/zinc/12/85/28/504128528.db2.gz IEZKXYHRSVCOOC-UHFFFAOYSA-N 2 0 363.505 3.310 20 0 FGADRP C[C@H]1C[NH+](CCOc2ccc(CC[NH2+]Cc3ccncc3)cc2)C[C@@H]1C ZINC000538122692 504136774 /nfs/dbraw/zinc/13/67/74/504136774.db2.gz MSJZLSPANSJIMX-OALUTQOASA-N 2 0 353.510 3.381 20 0 FGADRP C[NH+](C)C1(CNC(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)CCCCCC1 ZINC000534450234 504145665 /nfs/dbraw/zinc/14/56/65/504145665.db2.gz LGSSCMUJNBSWME-LJQANCHMSA-N 2 0 364.578 3.014 20 0 FGADRP C[C@H](C1CC1)N(Cc1ccccc1)C(=O)C[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000519156763 504153134 /nfs/dbraw/zinc/15/31/34/504153134.db2.gz LHHRGNKXGKYEDW-QIJUGHKUSA-N 2 0 369.553 3.135 20 0 FGADRP CC(C)[N@@H+]1CC[C@H](CNC(=O)NC[C@H]2CCC[NH+]2CC2CCCCC2)C1 ZINC000531003663 504159183 /nfs/dbraw/zinc/15/91/83/504159183.db2.gz HDIXIPWLZVAMSI-WOJBJXKFSA-N 2 0 364.578 3.061 20 0 FGADRP CCC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)NC[C@H]1CCC[NH+](CC)C1 ZINC000528306365 504161110 /nfs/dbraw/zinc/16/11/10/504161110.db2.gz GFDFHEMENSLUEX-YPAWHYETSA-N 2 0 371.569 3.383 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)CC[NH+](C)C1CCCCC1 ZINC000547737334 504204620 /nfs/dbraw/zinc/20/46/20/504204620.db2.gz KVWXMXHCQHWVRT-WIYYLYMNSA-N 2 0 357.542 3.278 20 0 FGADRP CC[NH+](CC)C[C@@H](C)NC(=O)N1CCC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000531246350 504241548 /nfs/dbraw/zinc/24/15/48/504241548.db2.gz QBXPCVGZZPYFAB-MOPGFXCFSA-N 2 0 360.546 3.023 20 0 FGADRP CN(C(=O)NCC1(C[NH+](C)C)CCCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000544818062 504268970 /nfs/dbraw/zinc/26/89/70/504268970.db2.gz ZMFDRVCUTMLBEF-HXUWFJFHSA-N 2 0 372.557 3.024 20 0 FGADRP Cc1cc([C@H](C)[NH2+][C@@H](CC(C)C)C(=O)NCC[NH+](C)C)cc(C)c1F ZINC000538545652 504279930 /nfs/dbraw/zinc/27/99/30/504279930.db2.gz XQEYWZHSJDGPEE-WMZOPIPTSA-N 2 0 351.510 3.186 20 0 FGADRP CCCCNC(=O)[C@@H](C)[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000534967998 504296189 /nfs/dbraw/zinc/29/61/89/504296189.db2.gz WKZJJPSZAVWOCN-LJQANCHMSA-N 2 0 357.542 3.279 20 0 FGADRP CCC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000528657043 504316935 /nfs/dbraw/zinc/31/69/35/504316935.db2.gz QOGKVXKAYRXDQB-OYNPSCLESA-N 2 0 357.542 3.134 20 0 FGADRP CC(C)[C@H](C(=O)N(C)CC[N@H+](C)C1CCN(C)CC1)c1ccc(F)cc1 ZINC000535159901 504358441 /nfs/dbraw/zinc/35/84/41/504358441.db2.gz WGYWMVHBRIHNFP-FQEVSTJZSA-N 2 0 363.521 3.050 20 0 FGADRP CC[C@@H]1C[C@H](C)CC[C@H]1[NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000538759623 504359910 /nfs/dbraw/zinc/35/99/10/504359910.db2.gz LPLUCEGCSCIDFH-VAMGGRTRSA-N 2 0 359.562 3.183 20 0 FGADRP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]C[C@H]2Cc3ccccc3O2)CC1 ZINC000538849554 504391449 /nfs/dbraw/zinc/39/14/49/504391449.db2.gz ILBPRWAGZJDOPK-QGZVFWFLSA-N 2 0 371.912 3.185 20 0 FGADRP CC[NH+](CC)CCN(Cc1ccccc1)C(=O)N[C@H](C)C[NH+]1CCCCC1 ZINC000519974469 504392974 /nfs/dbraw/zinc/39/29/74/504392974.db2.gz BDLJDTXIYXTBSF-HXUWFJFHSA-N 2 0 374.573 3.414 20 0 FGADRP C[N@@H+]1CCCC12CCN(C[C@@H](O)COc1ccc(C(C)(C)C)cc1)CC2 ZINC000542267318 504431075 /nfs/dbraw/zinc/43/10/75/504431075.db2.gz LPXYUXDUYXRMIV-LJQANCHMSA-N 2 0 360.542 3.284 20 0 FGADRP CC[NH+]1CCC(CNC(=O)N2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)CC1 ZINC000520272330 504451113 /nfs/dbraw/zinc/45/11/13/504451113.db2.gz YLXYLTZBVPBDMT-QUCCMNQESA-N 2 0 364.578 3.014 20 0 FGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@@H](C)c2sccc2Br)CC1 ZINC000531959496 504487863 /nfs/dbraw/zinc/48/78/63/504487863.db2.gz KDPRWGASKHELBX-KBPBESRZSA-N 2 0 374.392 3.435 20 0 FGADRP CC(C)CNC(=O)[C@H](C)[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000535677581 504504525 /nfs/dbraw/zinc/50/45/25/504504525.db2.gz ZTOQZRAEUZOKDG-IBGZPJMESA-N 2 0 357.542 3.135 20 0 FGADRP CC[NH+]1CCN(CCCC[NH2+][C@H](c2ccc(F)cc2)c2ccccn2)CC1 ZINC000542476913 504505371 /nfs/dbraw/zinc/50/53/71/504505371.db2.gz HJZFWHDJDNXBBD-JOCHJYFZSA-N 2 0 370.516 3.317 20 0 FGADRP CC[NH+](CC)CC(=O)N1CC[NH+]([C@@H](C)c2cccc3ccccc32)CC1 ZINC000520478708 504509243 /nfs/dbraw/zinc/50/92/43/504509243.db2.gz DCZYFCLBMJYNDT-SFHVURJKSA-N 2 0 353.510 3.387 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H](O)CCc1ccccc1 ZINC000542487449 504510618 /nfs/dbraw/zinc/51/06/18/504510618.db2.gz XZOMGEWZXRFVBO-WTIAFYNJSA-N 2 0 352.522 3.480 20 0 FGADRP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]CCC(=O)Nc2ccccn2)CC1 ZINC000520503631 504515050 /nfs/dbraw/zinc/51/50/50/504515050.db2.gz LXLQTAJOBPSWIP-GOSISDBHSA-N 2 0 366.509 3.095 20 0 FGADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H](O)COc2cc(C)ccc2Cl)C[C@@H]1C ZINC000542506820 504518170 /nfs/dbraw/zinc/51/81/70/504518170.db2.gz RMUPPRIVHYVSBX-YESZJQIVSA-N 2 0 354.922 3.193 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)NCC[N@H+](C)C1CCCC1)c1ccsc1 ZINC000520554636 504526562 /nfs/dbraw/zinc/52/65/62/504526562.db2.gz IUJDTDHEPFQIFC-GOSISDBHSA-N 2 0 366.575 3.305 20 0 FGADRP CC(C)C[C@H](CNC(=O)NC[C@@H]1CCC[N@H+](C)C1)[NH2+][C@H](C)c1ccccc1 ZINC000532075840 504527486 /nfs/dbraw/zinc/52/74/86/504527486.db2.gz VPMIFXLAHYMLPH-SVFBPWRDSA-N 2 0 374.573 3.393 20 0 FGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H](C[C@H]2CCOC2)c2ccccc2)CC1 ZINC000535838856 504561422 /nfs/dbraw/zinc/56/14/22/504561422.db2.gz HKHJDGAFIUIMMU-KCZVDYSFSA-N 2 0 359.558 3.018 20 0 FGADRP CCC[C@H]1CN(C(=O)NC2CC[NH+](CC)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000539459147 504578995 /nfs/dbraw/zinc/57/89/95/504578995.db2.gz RJRVFMXHEGVPMH-NRFANRHFSA-N 2 0 372.557 3.167 20 0 FGADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC1(O)Cc2ccccc2C1 ZINC000532235629 504582648 /nfs/dbraw/zinc/58/26/48/504582648.db2.gz IEQKLGUHXLSUIK-PGRDOPGGSA-N 2 0 350.506 3.017 20 0 FGADRP CC[NH+]1CCN(c2ccc(C[NH2+][C@H]3C[C@@H](OCC(C)C)C3(C)C)cn2)CC1 ZINC000539498957 504591682 /nfs/dbraw/zinc/59/16/82/504591682.db2.gz YOFBTZFYTNFJJO-VQTJNVASSA-N 2 0 374.573 3.153 20 0 FGADRP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000542758362 504597872 /nfs/dbraw/zinc/59/78/72/504597872.db2.gz ARLUIDINUROGPE-YQVWRLOYSA-N 2 0 364.578 3.011 20 0 FGADRP CCn1nccc1CC[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000549063913 504672698 /nfs/dbraw/zinc/67/26/98/504672698.db2.gz QPFVRNQFZKIFTH-UHFFFAOYSA-N 2 0 352.526 3.434 20 0 FGADRP CCC[N@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)[C@H]1CCc2ccccc21 ZINC000521193841 504675183 /nfs/dbraw/zinc/67/51/83/504675183.db2.gz VDDRJYVHWZNNBL-NRFANRHFSA-N 2 0 355.526 3.129 20 0 FGADRP C[C@H]([NH2+]CCN1CCC([NH+](C)C)CC1)c1sccc1Br ZINC000532549365 504689370 /nfs/dbraw/zinc/68/93/70/504689370.db2.gz XLHSUDHTVKDEAT-LBPRGKRZSA-N 2 0 360.365 3.187 20 0 FGADRP CCc1oc2ccccc2c1C[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000539825212 504706184 /nfs/dbraw/zinc/70/61/84/504706184.db2.gz NTPRGUSKPRLQCB-YLJYHZDGSA-N 2 0 355.526 3.453 20 0 FGADRP CCc1oc2ccccc2c1C[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000539825210 504706362 /nfs/dbraw/zinc/70/63/62/504706362.db2.gz NTPRGUSKPRLQCB-XLIONFOSSA-N 2 0 355.526 3.453 20 0 FGADRP C[C@H](CNC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1)[NH+]1CCC(C)CC1 ZINC000521486021 504746113 /nfs/dbraw/zinc/74/61/13/504746113.db2.gz HHJHZWGTKBFCRJ-TZIWHRDSSA-N 2 0 357.542 3.135 20 0 FGADRP CC[N@H+](CCC1CC[NH+](CC(=O)NCc2ccc(C)cc2)CC1)CC1CC1 ZINC000540050419 504766059 /nfs/dbraw/zinc/76/60/59/504766059.db2.gz SDPSNPILCNEEPY-UHFFFAOYSA-N 2 0 371.569 3.445 20 0 FGADRP C[NH+]1CCC2(CC1)C[C@H]([NH2+]C[C@H](CO)Cc1ccco1)c1ccccc1O2 ZINC000559116548 504785543 /nfs/dbraw/zinc/78/55/43/504785543.db2.gz WQAKKSHCFKTKKY-XLIONFOSSA-N 2 0 370.493 3.008 20 0 FGADRP CC[NH+]1CCC(CCNC(=O)N[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000565072079 504787110 /nfs/dbraw/zinc/78/71/10/504787110.db2.gz ZGFZZAYRZVNCSC-QFIPXVFZSA-N 2 0 372.557 3.072 20 0 FGADRP COc1ccc(F)cc1CN1CCN(C[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC000556122829 504801539 /nfs/dbraw/zinc/80/15/39/504801539.db2.gz GSRQXGCETOQTHH-FQEVSTJZSA-N 2 0 363.521 3.215 20 0 FGADRP CCc1oc(C[NH2+]CC2CCN(c3cc[nH+]cc3)CC2)cc1C(=O)OC ZINC000549367085 504802086 /nfs/dbraw/zinc/80/20/86/504802086.db2.gz XGTSVQWFPHFVIB-UHFFFAOYSA-N 2 0 357.454 3.030 20 0 FGADRP O=C([C@@H]1CCC[N@H+](Cc2ccccc2)C1)N1CCC[NH+](CC2CCC2)CC1 ZINC000559256181 504810255 /nfs/dbraw/zinc/81/02/55/504810255.db2.gz IZMJQDCBUNZVIT-JOCHJYFZSA-N 2 0 369.553 3.233 20 0 FGADRP Cn1c2ccccc2cc(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)c1=O ZINC000565160217 504811271 /nfs/dbraw/zinc/81/12/71/504811271.db2.gz BXDCSMFANSZYIQ-SZPZYZBQSA-N 2 0 373.500 3.102 20 0 FGADRP COc1cccc([C@@H](CNC(=O)CC[N@@H+]2CCCC[C@@H]2C)[NH+]2CCCC2)c1 ZINC000559260737 504811405 /nfs/dbraw/zinc/81/14/05/504811405.db2.gz APMAIRCJLTYXPB-GHTZIAJQSA-N 2 0 373.541 3.213 20 0 FGADRP Cc1nocc1C[NH2+]CCc1ccc(OCC[NH+]2C[C@H](C)[C@@H](C)C2)cc1 ZINC000559294012 504822958 /nfs/dbraw/zinc/82/29/58/504822958.db2.gz ABRNNPXOELHNMB-IRXDYDNUSA-N 2 0 357.498 3.282 20 0 FGADRP [NH3+][C@@H]1CCC[C@H]([NH2+]C2CCN(Cc3cccc(Br)c3)CC2)C1 ZINC000565227211 504830762 /nfs/dbraw/zinc/83/07/62/504830762.db2.gz WIUCXXUPBOKLBI-AEFFLSMTSA-N 2 0 366.347 3.273 20 0 FGADRP O=C(C[N@@H+]1CC[C@@H](CC2CC2)C1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000559410796 504855984 /nfs/dbraw/zinc/85/59/84/504855984.db2.gz IMHZBVNDODHGCL-NRFANRHFSA-N 2 0 355.526 3.021 20 0 FGADRP O=C(c1ccc2c[nH+]cn2c1)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000559548550 504884684 /nfs/dbraw/zinc/88/46/84/504884684.db2.gz NEYXHBWCUYCMCW-KNQAVFIVSA-N 2 0 374.488 3.461 20 0 FGADRP Cc1nn(-c2cccc(F)c2)cc1C[NH+]1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000562750316 504932202 /nfs/dbraw/zinc/93/22/02/504932202.db2.gz GNTIUXVSYOCFAR-RTWAWAEBSA-N 2 0 372.488 3.038 20 0 FGADRP [NH3+][C@@H]1CCO[C@H](C2CC[NH+](Cc3cccc(-c4ccccn4)c3)CC2)C1 ZINC000562751385 504933307 /nfs/dbraw/zinc/93/33/07/504933307.db2.gz OZCFXBWTHQUIMV-IRLDBZIGSA-N 2 0 351.494 3.467 20 0 FGADRP Cc1cccc(-c2n[nH]cc2C[NH+]2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)c1 ZINC000562751393 504933449 /nfs/dbraw/zinc/93/34/49/504933449.db2.gz QTTOMGDFEZTUGJ-FPOVZHCZSA-N 2 0 354.498 3.103 20 0 FGADRP [NH3+]Cc1cn([C@H]2CCC[N@H+](Cc3ccc(-c4ccccc4)s3)C2)nn1 ZINC000562750853 504933478 /nfs/dbraw/zinc/93/34/78/504933478.db2.gz XJVAFEFMKHQJCJ-KRWDZBQOSA-N 2 0 353.495 3.302 20 0 FGADRP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000553510652 504935800 /nfs/dbraw/zinc/93/58/00/504935800.db2.gz GOEZDKJTDYYLDT-QFUCXCTJSA-N 2 0 373.516 3.123 20 0 FGADRP C[C@@H]1C[C@H]1N1C[C@H]([NH2+]C2CCC([N@H+](C)Cc3ccccc3)CC2)CC1=O ZINC000559913381 504950002 /nfs/dbraw/zinc/95/00/02/504950002.db2.gz KIVJKLRCLDYYHT-ASGNMKHESA-N 2 0 355.526 3.029 20 0 FGADRP CC[C@@H](C(=O)NC[C@@H](c1ccccc1)[NH+](C)C)[N@H+](C)Cc1ccccc1 ZINC000550128074 504972638 /nfs/dbraw/zinc/97/26/38/504972638.db2.gz XOPOBDJOHCHGRV-SFTDATJTSA-N 2 0 353.510 3.316 20 0 FGADRP CC[C@@H](Cn1cncn1)[NH2+]CC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000565804422 504992346 /nfs/dbraw/zinc/99/23/46/504992346.db2.gz UNHAGJJCXDCKJA-SFHVURJKSA-N 2 0 361.921 3.212 20 0 FGADRP NC(=O)[C@H]1CC[C@H](C[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000562939787 504994800 /nfs/dbraw/zinc/99/48/00/504994800.db2.gz WFNMNRHTTPEQFK-OHLDOZIISA-N 2 0 369.553 3.168 20 0 FGADRP FC(F)Oc1cc2c(cc1C[NH2+]CCCCC[NH+]1CCCC1)OCO2 ZINC000550263071 505005788 /nfs/dbraw/zinc/00/57/88/505005788.db2.gz VQKWOAFNMXAHGW-UHFFFAOYSA-N 2 0 356.413 3.372 20 0 FGADRP Cc1ccnc([C@H](C)[NH2+]Cc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)c1 ZINC000556886372 505006850 /nfs/dbraw/zinc/00/68/50/505006850.db2.gz LSWOZGTXNNMQRB-SFHVURJKSA-N 2 0 366.509 3.066 20 0 FGADRP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000565862058 505008429 /nfs/dbraw/zinc/00/84/29/505008429.db2.gz TYIXVMVIHSCCAW-OAQYLSRUSA-N 2 0 372.557 3.154 20 0 FGADRP C[C@H](OC[C@H](O)C[NH2+]C1CC[NH+](CC2CC2)CC1)c1ccc(Cl)cc1 ZINC000562988578 505011746 /nfs/dbraw/zinc/01/17/46/505011746.db2.gz PZOOHFWUBLFUDP-MGPUTAFESA-N 2 0 366.933 3.243 20 0 FGADRP CCc1cccc(CC)c1NC(=O)[C@@H](C)[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000563150070 505061098 /nfs/dbraw/zinc/06/10/98/505061098.db2.gz JCCQPVGLQYDFJP-UZLBHIALSA-N 2 0 357.542 3.460 20 0 FGADRP CC(C)(C)[C@@H]1CC[C@@H]1[NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000554072035 505081522 /nfs/dbraw/zinc/08/15/22/505081522.db2.gz OZAVCZNIJFFLEW-AQNXPRMDSA-N 2 0 357.542 3.298 20 0 FGADRP COC1([C@@H](C)[NH2+]Cc2cncc(C[NH2+][C@H](C)C3(OC)CCC3)c2)CCC1 ZINC000563232843 505082487 /nfs/dbraw/zinc/08/24/87/505082487.db2.gz DGEGMOWYOWDAJR-IAGOWNOFSA-N 2 0 361.530 3.176 20 0 FGADRP Cc1cc(NC(=O)c2ccc3c[nH+]cn3c2)ccc1OCC[NH+]1CCCC1 ZINC000550719268 505090510 /nfs/dbraw/zinc/09/05/10/505090510.db2.gz NXMRPYLMZXZSIA-UHFFFAOYSA-N 2 0 364.449 3.370 20 0 FGADRP CCC[N@H+](C)[C@@H](CNC(=O)NCC1CC[NH2+]CC1)c1ccc(Cl)cc1 ZINC000557199784 505091674 /nfs/dbraw/zinc/09/16/74/505091674.db2.gz IEKIIXJTGRRTOU-SFHVURJKSA-N 2 0 366.937 3.022 20 0 FGADRP O[C@]1(C[NH2+][C@@H]2CCCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CCSC1 ZINC000560528779 505116521 /nfs/dbraw/zinc/11/65/21/505116521.db2.gz KRZVHVRTFMGRMF-MHTWAQMVSA-N 2 0 360.567 3.135 20 0 FGADRP O[C@@H](Cc1cccc(Cl)c1)C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000554250758 505124792 /nfs/dbraw/zinc/12/47/92/505124792.db2.gz VFISUZOYMYKJFJ-VWPQPMDRSA-N 2 0 370.924 3.307 20 0 FGADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)c2ccn(CC[NH+](C)C)n2)cc1 ZINC000563375880 505126117 /nfs/dbraw/zinc/12/61/17/505126117.db2.gz GSTJOOLSMYAUBL-KRWDZBQOSA-N 2 0 369.513 3.071 20 0 FGADRP COc1ccc([C@H](CNC(=O)CCCC[NH+](C)C)[NH+]2CCCCC2)cc1 ZINC000560601954 505139921 /nfs/dbraw/zinc/13/99/21/505139921.db2.gz PFANANYCUZQUQF-FQEVSTJZSA-N 2 0 361.530 3.070 20 0 FGADRP C[C@@H](CN1CCC(C)CC1)[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000563443843 505143135 /nfs/dbraw/zinc/14/31/35/505143135.db2.gz WYFYVAKQRXRJNZ-FQEVSTJZSA-N 2 0 372.601 3.427 20 0 FGADRP CCC[N@H+](CC)C[C@@H](C)NC(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000566398463 505163948 /nfs/dbraw/zinc/16/39/48/505163948.db2.gz ZKHDNOWHWMKTDD-IAGOWNOFSA-N 2 0 366.575 3.305 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccco1 ZINC000557577166 505172742 /nfs/dbraw/zinc/17/27/42/505172742.db2.gz RWJIDSAPMPUKGL-WOJBJXKFSA-N 2 0 369.509 3.301 20 0 FGADRP CN(CCC[N@H+](C)Cc1ccco1)C(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000554450147 505176405 /nfs/dbraw/zinc/17/64/05/505176405.db2.gz TZAACEUYQLVFNM-HXUWFJFHSA-N 2 0 372.513 3.046 20 0 FGADRP C[C@H]([NH3+])C1CCN(C(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)CC1 ZINC000563561973 505177135 /nfs/dbraw/zinc/17/71/35/505177135.db2.gz IOIJDOIGRMTQFR-SFHVURJKSA-N 2 0 372.557 3.331 20 0 FGADRP C[C@@H](NC(=O)NCC1([NH+](C)C)CCCCC1)[C@@H](c1ccccc1)[NH+](C)C ZINC000554478588 505183057 /nfs/dbraw/zinc/18/30/57/505183057.db2.gz MGLKVFJSRQZGTA-MJGOQNOKSA-N 2 0 360.546 3.242 20 0 FGADRP CC[NH+]1CCC(NC(=O)C[NH2+][C@H](Cc2ccccc2)c2ccccc2)CC1 ZINC000560833963 505198228 /nfs/dbraw/zinc/19/82/28/505198228.db2.gz PIGDAVAJKLTOME-JOCHJYFZSA-N 2 0 365.521 3.161 20 0 FGADRP CCC[N@H+](CC)C[C@H](C)NC(=O)[C@@H]1C[NH+](C(C)(C)C)C[C@H]1C(F)(F)F ZINC000560877853 505205501 /nfs/dbraw/zinc/20/55/01/505205501.db2.gz QVLBTXRCEVETPB-RRFJBIMHSA-N 2 0 365.484 3.132 20 0 FGADRP C[C@@H]([NH2+]Cc1ccncc1OCC[NH+](C)C)c1cccc(OC(F)F)c1 ZINC000563771788 505234475 /nfs/dbraw/zinc/23/44/75/505234475.db2.gz YRVSBICGHNRANG-CQSZACIVSA-N 2 0 365.424 3.474 20 0 FGADRP CCOC1CC([NH+](C)Cc2cncc(C[N@@H+](C)C3CC(OCC)C3)c2)C1 ZINC000566660143 505235834 /nfs/dbraw/zinc/23/58/34/505235834.db2.gz JYZBGJQOBMARBD-UHFFFAOYSA-N 2 0 361.530 3.080 20 0 FGADRP O=C(NC[C@@H]1CCC[N@@H+]1C1CCCCC1)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000561047840 505237566 /nfs/dbraw/zinc/23/75/66/505237566.db2.gz VQJQXJYYUJYTSA-FQEVSTJZSA-N 2 0 356.514 3.251 20 0 FGADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2C[C@H]([NH+]3CCCC3)C[C@H]2C)C1 ZINC000557853184 505246322 /nfs/dbraw/zinc/24/63/22/505246322.db2.gz YFOISFJQUJZIKA-GUDVDZBRSA-N 2 0 364.578 3.155 20 0 FGADRP C[C@H](NC(=O)C[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)c1cccc2ccccc21 ZINC000566797105 505274844 /nfs/dbraw/zinc/27/48/44/505274844.db2.gz VUXPNEJCZMGGNO-SXLOBPIMSA-N 2 0 365.521 3.339 20 0 FGADRP C[C@@H]1C[C@H](NC(=O)NC[C@@H]2[NH2+]CCCC2(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000561193866 505277251 /nfs/dbraw/zinc/27/72/51/505277251.db2.gz PKHQRSDVAODAPR-RLLQIKCJSA-N 2 0 372.557 3.117 20 0 FGADRP CSC1(C[NH2+][C@@H](C)c2ncc(Br)s2)CC[NH+](C)CC1 ZINC000566827009 505283158 /nfs/dbraw/zinc/28/31/58/505283158.db2.gz RIHYBKZISVPGIJ-JTQLQIEISA-N 2 0 364.378 3.384 20 0 FGADRP C[C@@H]([NH2+]Cc1cccc(N2CCC2=O)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000554864811 505284773 /nfs/dbraw/zinc/28/47/73/505284773.db2.gz GLBGILBWCVFRRQ-WIYYLYMNSA-N 2 0 363.505 3.424 20 0 FGADRP CC(C)[NH+]1CCC(N(C)C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1 ZINC000551699480 505285080 /nfs/dbraw/zinc/28/50/80/505285080.db2.gz DHQDCZYUZVAXPY-QFIPXVFZSA-N 2 0 359.558 3.082 20 0 FGADRP C[N@H+](Cc1ccccc1CNC(=O)N1CCC(C[NH3+])CC1)C1CCCCC1 ZINC000566844838 505289383 /nfs/dbraw/zinc/28/93/83/505289383.db2.gz LAHMPRLEZBZYDV-UHFFFAOYSA-N 2 0 372.557 3.331 20 0 FGADRP O=C(NCCCCC[NH+]1CCCCC1)N1CCN(Cc2ccccc2)CC1 ZINC000554914222 505298168 /nfs/dbraw/zinc/29/81/68/505298168.db2.gz DYMSLIAATYHDRN-UHFFFAOYSA-N 2 0 372.557 3.170 20 0 FGADRP C[C@@H]1C[C@@H]([N@H+](C)Cc2cccc(I)c2)CCN1C ZINC000551803019 505312604 /nfs/dbraw/zinc/31/26/04/505312604.db2.gz DEPXWZGIGYNDAC-DOMZBBRYSA-N 2 0 358.267 3.206 20 0 FGADRP CC[C@H](C)[NH2+][C@@H](CNC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)c1ccco1 ZINC000558345377 505364873 /nfs/dbraw/zinc/36/48/73/505364873.db2.gz OANUCKJSDZQMJB-WDSOQIARSA-N 2 0 372.513 3.311 20 0 FGADRP CCc1ccc([C@H](CNC(=O)N2CC[C@@H]([NH+]3CCCC3)[C@H]2C)[NH+](C)C)cc1 ZINC000558346838 505364983 /nfs/dbraw/zinc/36/49/83/505364983.db2.gz DDKWMWQZWLIKHA-UIFIKXQLSA-N 2 0 372.557 3.120 20 0 FGADRP C[C@@H]([NH2+]CCC[N@H+](C)Cc1ccccc1)c1ccc2c(c1)OCC(=O)N2 ZINC000552034051 505376730 /nfs/dbraw/zinc/37/67/30/505376730.db2.gz BEKLFWGRXZZZPI-MRXNPFEDSA-N 2 0 353.466 3.190 20 0 FGADRP COC(=O)c1cccc(C[NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)c1 ZINC000558415963 505383076 /nfs/dbraw/zinc/38/30/76/505383076.db2.gz FSYVQRXQMQACKM-YPAWHYETSA-N 2 0 364.489 3.473 20 0 FGADRP CC[C@@H]1CN(C(=O)NCC2CC[NH+](CC)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000564403920 505409948 /nfs/dbraw/zinc/40/99/48/505409948.db2.gz ULUSSRPGPLLSHG-OAQYLSRUSA-N 2 0 372.557 3.024 20 0 FGADRP Cc1nc(NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)ccc1-c1ccccc1 ZINC000564434520 505419454 /nfs/dbraw/zinc/41/94/54/505419454.db2.gz YWKWRMMHJGIXEW-UHFFFAOYSA-N 2 0 369.513 3.014 20 0 FGADRP Cc1nccn1-c1ccc([C@H](C)NC(=O)N[C@H]2C[C@H](C)n3ccnc32)cc1 ZINC000564540094 505446750 /nfs/dbraw/zinc/44/67/50/505446750.db2.gz MHQYBUMQKQEASF-DEYYWGMASA-N 2 0 364.453 3.443 20 0 FGADRP Cc1ccc([C@H](CNC(=O)N2CCCC[C@H]2[C@@H](C)[NH3+])[NH+]2CCCC2)cc1 ZINC000564548673 505449891 /nfs/dbraw/zinc/44/98/91/505449891.db2.gz LZBQGTDFXMTWAA-HOJAQTOUSA-N 2 0 358.530 3.043 20 0 FGADRP CCC[N@H+](CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)Cc1ccccc1 ZINC000552306355 505456348 /nfs/dbraw/zinc/45/63/48/505456348.db2.gz VZAACBRZHWPXIP-NRFANRHFSA-N 2 0 353.510 3.318 20 0 FGADRP [NH3+][C@@H](Cc1ccccc1)C(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000561946604 505475506 /nfs/dbraw/zinc/47/55/06/505475506.db2.gz SPEDOJZBQQWZHG-VQTJNVASSA-N 2 0 371.912 3.163 20 0 FGADRP C[C@@H](CNC(=O)[C@@H]1C[NH2+]C[C@H]1c1ccc(Cl)cc1)[N@@H+]1CCCC[C@H]1C ZINC000567515842 505485394 /nfs/dbraw/zinc/48/53/94/505485394.db2.gz DISSCYYAJLERAC-LVFSCSRESA-N 2 0 363.933 3.022 20 0 FGADRP Cc1ccccc1[C@H]([C@@H](C)NC(=O)NC[C@H]1CC[N@@H+](C(C)C)C1)[NH+](C)C ZINC000562138646 505526925 /nfs/dbraw/zinc/52/69/25/505526925.db2.gz FFWMZPJBPZWXKP-GGPKGHCWSA-N 2 0 360.546 3.016 20 0 FGADRP Cc1cc2ncn(C[C@H](O)C[NH2+]CCCC[N@H+]3CCC[C@@H](C)C3)c2cc1C ZINC000567678580 505533261 /nfs/dbraw/zinc/53/32/61/505533261.db2.gz WOJSZYSZXZHJQO-YLJYHZDGSA-N 2 0 372.557 3.116 20 0 FGADRP C[NH+](C)CCOc1ccc(NC(=O)c2ccc3c[nH+]cn3c2)cc1Cl ZINC000555885727 505533375 /nfs/dbraw/zinc/53/33/75/505533375.db2.gz AKHFHDYASXYKRT-UHFFFAOYSA-N 2 0 358.829 3.180 20 0 FGADRP C[C@@H]([NH2+]C[C@@H](O)COc1cccc(C(F)(F)F)c1)C(C)(C)C[NH+](C)C ZINC000564853668 505539768 /nfs/dbraw/zinc/53/97/68/505539768.db2.gz HKHRQJBYCRRNKT-UKRRQHHQSA-N 2 0 362.436 3.011 20 0 FGADRP C[NH+](C)[C@@H]1CCc2cc(NC[C@@H](O)C[N@@H+]3CCc4ccccc4C3)ccc21 ZINC000567706550 505544331 /nfs/dbraw/zinc/54/43/31/505544331.db2.gz WBHUBIHCDFRIKX-FYYLOGMGSA-N 2 0 365.521 3.067 20 0 FGADRP CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000567713033 505546317 /nfs/dbraw/zinc/54/63/17/505546317.db2.gz BSGHNNRTGJWBTL-INIZCTEOSA-N 2 0 362.493 3.103 20 0 FGADRP CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000567890725 505570285 /nfs/dbraw/zinc/57/02/85/505570285.db2.gz AUVDIRHZMFEHKG-VBQJREDUSA-N 2 0 370.324 3.011 20 0 FGADRP CN1CC[NH+](CCCC[NH2+][C@@H](Cc2ccncc2)c2cccs2)CC1 ZINC000582719933 506384061 /nfs/dbraw/zinc/38/40/61/506384061.db2.gz JRTOVFBIWPENLN-IBGZPJMESA-N 2 0 358.555 3.044 20 0 FGADRP C[N@H+](CC[C@H]1CCCC[NH+]1C)CC1(O)CCC(C(=O)OC(C)(C)C)CC1 ZINC000599300101 506402788 /nfs/dbraw/zinc/40/27/88/506402788.db2.gz NBGCBAPHDOJQSJ-IDYZSHNDSA-N 2 0 368.562 3.056 20 0 FGADRP COC(=O)c1ccc(Cl)c(C[N@@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)c1 ZINC000589197650 506479237 /nfs/dbraw/zinc/47/92/37/506479237.db2.gz HYBQNCSIWOKXNA-INIZCTEOSA-N 2 0 350.890 3.290 20 0 FGADRP COc1cccc(C[NH2+]CC2(SC)CC[NH+](C)CC2)c1OC(F)F ZINC000589325602 506518689 /nfs/dbraw/zinc/51/86/89/506518689.db2.gz TXVUJIRHYMMUBN-UHFFFAOYSA-N 2 0 360.470 3.214 20 0 FGADRP CC[NH+](CC)Cc1ccc(CNC(=O)Nc2cccc3c2CC[NH2+]C3)cc1 ZINC000583132010 506609092 /nfs/dbraw/zinc/60/90/92/506609092.db2.gz BYVDXMWZGGQDGD-UHFFFAOYSA-N 2 0 366.509 3.496 20 0 FGADRP C[C@@H](CNC(=O)N1CC[C@@H]([N@H+](C)Cc2ccccc2)C1)C[NH+]1CCCCC1 ZINC000608645614 506646111 /nfs/dbraw/zinc/64/61/11/506646111.db2.gz QAKDVLUUKLHNTL-PZJWPPBQSA-N 2 0 372.557 3.024 20 0 FGADRP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)N1CC[C@@H]([NH+](C)Cc2ccccc2)C1 ZINC000608674014 506658813 /nfs/dbraw/zinc/65/88/13/506658813.db2.gz NEMVRGDDQZGNER-SVFBPWRDSA-N 2 0 372.557 3.165 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H]1CCc2ccc(C)cc21 ZINC000608673339 506659146 /nfs/dbraw/zinc/65/91/46/506659146.db2.gz OLSDHCQQXHGOAG-CTNGQTDRSA-N 2 0 372.557 3.040 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H]1CCc2ccc(C)cc21 ZINC000608673415 506659364 /nfs/dbraw/zinc/65/93/64/506659364.db2.gz OLSDHCQQXHGOAG-TZIWHRDSSA-N 2 0 372.557 3.040 20 0 FGADRP C[C@@H](NC(=O)N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1)C1CC[NH+](C)CC1 ZINC000608693367 506668468 /nfs/dbraw/zinc/66/84/68/506668468.db2.gz PWDDOPOZTXNQEA-RBUKOAKNSA-N 2 0 372.557 3.023 20 0 FGADRP CC(C)[NH+](CCNC(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1)C(C)C ZINC000604080635 506706773 /nfs/dbraw/zinc/70/67/73/506706773.db2.gz LVVNZZIRMDXGTP-HXUWFJFHSA-N 2 0 360.546 3.069 20 0 FGADRP C[C@@H](C(=O)NCCC[NH+]1CCCCC1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000599966982 506729759 /nfs/dbraw/zinc/72/97/59/506729759.db2.gz AXEWJNOCYDDLRY-FQEVSTJZSA-N 2 0 371.569 3.322 20 0 FGADRP C[C@H](NC(=O)C[NH+]1CCC(C[NH+](C)C)CC1)c1ccc2c(c1)CCCC2 ZINC000590125931 506743278 /nfs/dbraw/zinc/74/32/78/506743278.db2.gz WNWNFLXPEDNYBP-KRWDZBQOSA-N 2 0 357.542 3.016 20 0 FGADRP C[C@H](OC[C@H](O)C[NH+]1CCC(C[NH+](C)C)CC1)c1ccc(Cl)cc1 ZINC000590125902 506743927 /nfs/dbraw/zinc/74/39/27/506743927.db2.gz RPQWSWBLPKWXRY-HNAYVOBHSA-N 2 0 354.922 3.052 20 0 FGADRP CC[C@H](C)[N@H+](C)CCNC(=O)N[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000604189274 506744066 /nfs/dbraw/zinc/74/40/66/506744066.db2.gz XNQVDVMIHDWUHH-AZUAARDMSA-N 2 0 360.546 3.243 20 0 FGADRP CC(C)[NH2+]C1CCN(C(=O)N[C@@H](C[NH+]2CCCCC2)c2ccccc2)CC1 ZINC000604206806 506751769 /nfs/dbraw/zinc/75/17/69/506751769.db2.gz VWDYSJKFKDSUJU-NRFANRHFSA-N 2 0 372.557 3.386 20 0 FGADRP COC[C@H]1CCCC[NH+]1Cc1cncc(C[N@H+]2CCCC[C@@H]2COC)c1 ZINC000583422668 506770094 /nfs/dbraw/zinc/77/00/94/506770094.db2.gz WWZOYJWRDPVTPP-NHCUHLMSSA-N 2 0 361.530 3.083 20 0 FGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000583491481 506808253 /nfs/dbraw/zinc/80/82/53/506808253.db2.gz YWSKTVTVJDTPMV-GGAORHGYSA-N 2 0 369.553 3.374 20 0 FGADRP C[C@@H]([NH2+]C1(CNC(=O)N[C@H]2CC23CC[NH2+]CC3)CCCC1)c1ccccc1 ZINC000612970745 506845064 /nfs/dbraw/zinc/84/50/64/506845064.db2.gz KLHYJERVCBOTQF-MJGOQNOKSA-N 2 0 370.541 3.091 20 0 FGADRP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)[C@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000613128596 506930530 /nfs/dbraw/zinc/93/05/30/506930530.db2.gz HNLXALGLGTXDAE-KNQAVFIVSA-N 2 0 371.569 3.130 20 0 FGADRP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)N2CC[NH+](C3CCC3)CC2)CC1 ZINC000604822444 506957096 /nfs/dbraw/zinc/95/70/96/506957096.db2.gz IWPCBBWEDINSQV-SFHVURJKSA-N 2 0 370.541 3.092 20 0 FGADRP O=C(NCCCCC[NH+]1CCCCC1)[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000600473863 506961675 /nfs/dbraw/zinc/96/16/75/506961675.db2.gz SDJHSNGGIIWMCY-OAQYLSRUSA-N 2 0 372.557 3.066 20 0 FGADRP CC(C)[N@H+](C)CC1CC[NH+]([C@H](C)C(=O)N2CCc3ccccc3C2)CC1 ZINC000590818869 506979976 /nfs/dbraw/zinc/97/99/76/506979976.db2.gz DTFMYNFWLMKKBE-GOSISDBHSA-N 2 0 357.542 3.012 20 0 FGADRP CC(C)[N@H+](C)CC1CC[NH+](C[C@H](O)CO[C@H]2CCCc3ccccc32)CC1 ZINC000590819045 506980129 /nfs/dbraw/zinc/98/01/29/506980129.db2.gz VCMSAYYREIKYGS-GMAHTHKFSA-N 2 0 374.569 3.494 20 0 FGADRP CCN(C(=O)NC[C@@H]1CCC[C@H]([NH3+])C1)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000583802320 506982751 /nfs/dbraw/zinc/98/27/51/506982751.db2.gz QKSKCKBTBVCRDT-YHELAOLJSA-N 2 0 372.557 3.371 20 0 FGADRP C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)Nc1cccc(OCC[NH+](C)C)c1 ZINC000594231192 507027755 /nfs/dbraw/zinc/02/77/55/507027755.db2.gz BCFPAWPBURBHSO-IRXDYDNUSA-N 2 0 362.518 3.011 20 0 FGADRP Clc1ccc(OCC[NH+]2CCC(C[NH+]3CCOCC3)CC2)c(Cl)c1 ZINC000613441198 507092310 /nfs/dbraw/zinc/09/23/10/507092310.db2.gz XDLQRJUZNDWYLX-UHFFFAOYSA-N 2 0 373.324 3.416 20 0 FGADRP CCCC[N@H+](C)CC1CC[NH+](CC(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)CC1 ZINC000613493171 507116701 /nfs/dbraw/zinc/11/67/01/507116701.db2.gz YGJAFGUAAGSOPF-CMKODMSKSA-N 2 0 351.579 3.371 20 0 FGADRP CCCC[N@H+](C)CC1CC[NH+](CC(=O)N2c3ccccc3C[C@H]2C)CC1 ZINC000613493215 507117218 /nfs/dbraw/zinc/11/72/18/507117218.db2.gz ZBTCVKONTXNTEI-GOSISDBHSA-N 2 0 357.542 3.408 20 0 FGADRP Cc1ccc(C[NH+]2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)c(-c2cnn(C)c2)c1 ZINC000584100839 507153914 /nfs/dbraw/zinc/15/39/14/507153914.db2.gz MPFVBZRISQFFKO-RBBKRZOGSA-N 2 0 368.525 3.114 20 0 FGADRP CC[NH+](CC)CCOc1ccc(NC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000605339826 507153864 /nfs/dbraw/zinc/15/38/64/507153864.db2.gz QMJCUSWCLSNLCC-UXHICEINSA-N 2 0 374.529 3.156 20 0 FGADRP C[NH+](C)[C@H](CNC(=O)c1ccc(Nc2cc[nH+]cc2)cc1)c1ccccc1 ZINC000605398735 507172676 /nfs/dbraw/zinc/17/26/76/507172676.db2.gz VMHIDSJJDGVBQR-OAQYLSRUSA-N 2 0 360.461 3.280 20 0 FGADRP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)c2ccc(Nc3cc[nH+]cc3)cc2)C1 ZINC000605404302 507180558 /nfs/dbraw/zinc/18/05/58/507180558.db2.gz RZVDRGONVKQERS-QZTJIDSGSA-N 2 0 366.509 3.345 20 0 FGADRP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@H]2[NH2+]Cc1ccc2c(c1)OCCCO2 ZINC000584166922 507190787 /nfs/dbraw/zinc/19/07/87/507190787.db2.gz QWOLEDGBKRNLIM-XMSQKQJNSA-N 2 0 366.461 3.193 20 0 FGADRP C[N@H+](CCNC(=O)N1CCC(C[NH+]2CCCCCC2)CC1)C1CCCC1 ZINC000591627346 507317483 /nfs/dbraw/zinc/31/74/83/507317483.db2.gz CLWKRGJLIVETTD-UHFFFAOYSA-N 2 0 364.578 3.158 20 0 FGADRP COc1cccc2c1OCCC[C@@H]2[NH2+]CC1(SC)CC[NH+](C)CC1 ZINC000601279686 507319480 /nfs/dbraw/zinc/31/94/80/507319480.db2.gz IUUAGGNWLAXZAF-INIZCTEOSA-N 2 0 350.528 3.326 20 0 FGADRP CC[NH+]1CCC(C[NH2+]Cc2ccc(OC)c(OCc3cccnc3)c2)CC1 ZINC000591708083 507335708 /nfs/dbraw/zinc/33/57/08/507335708.db2.gz IFADXBXQGPWXQM-UHFFFAOYSA-N 2 0 369.509 3.491 20 0 FGADRP Cc1ccccc1C[C@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)C1CC1 ZINC000584425634 507337268 /nfs/dbraw/zinc/33/72/68/507337268.db2.gz GRYNHQTWGQZQOV-QFIPXVFZSA-N 2 0 364.537 3.253 20 0 FGADRP C[C@@H](CNC(=O)N1CCC[N@@H+](C(C)(C)C)CC1)[NH+](C)Cc1ccccc1 ZINC000601338733 507338824 /nfs/dbraw/zinc/33/88/24/507338824.db2.gz BGOVUEJVZIVRTO-SFHVURJKSA-N 2 0 360.546 3.023 20 0 FGADRP Ic1ccc(CC[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000594993438 507345058 /nfs/dbraw/zinc/34/50/58/507345058.db2.gz GJYIBLVTSSZGTK-CVEARBPZSA-N 2 0 370.278 3.050 20 0 FGADRP [NH3+]C[C@H](NC(=O)N1CCC([C@H]2CCC[NH2+]2)CC1)c1ccc2ccccc2c1 ZINC000584459719 507358168 /nfs/dbraw/zinc/35/81/68/507358168.db2.gz MOKYVLJGHFGANO-RTWAWAEBSA-N 2 0 366.509 3.013 20 0 FGADRP C[C@H]([NH2+]CCc1ccc(I)cc1)C1CC[NH+](C)CC1 ZINC000595093368 507387724 /nfs/dbraw/zinc/38/77/24/507387724.db2.gz AMIPJQRHBFFFIM-ZDUSSCGKSA-N 2 0 372.294 3.154 20 0 FGADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(C[NH2+]C[C@@H]2CNc3ccnn3C2)cc1 ZINC000595140647 507407143 /nfs/dbraw/zinc/40/71/43/507407143.db2.gz LZUWJAUUPFBRPP-FXAWDEMLSA-N 2 0 353.514 3.089 20 0 FGADRP C[C@@H](NC(=O)NCC1([NH+]2CCCCC2)CCCCC1)C1CC[NH+](C)CC1 ZINC000606620440 507455310 /nfs/dbraw/zinc/45/53/10/507455310.db2.gz ZDZXQUFWBIGJNR-GOSISDBHSA-N 2 0 364.578 3.205 20 0 FGADRP CC(C)C[NH+]1CCC(NC(=O)N(CC[NH+](C)C)CC2CCCCC2)CC1 ZINC000606632898 507460215 /nfs/dbraw/zinc/46/02/15/507460215.db2.gz XHALFQNKTFKNKI-UHFFFAOYSA-N 2 0 366.594 3.260 20 0 FGADRP C[C@@H](NC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1)C1CC[NH+](C)CC1 ZINC000606700303 507486513 /nfs/dbraw/zinc/48/65/13/507486513.db2.gz HQDFVDPYILKTCM-MOPGFXCFSA-N 2 0 364.578 3.014 20 0 FGADRP CC[C@H](Cc1ccccc1)C(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@@H+]1CC ZINC000602127394 507601679 /nfs/dbraw/zinc/60/16/79/507601679.db2.gz NBAKWDGGDUOPJC-NHCUHLMSSA-N 2 0 359.558 3.130 20 0 FGADRP C[N@H+](C[C@H](O)Cn1c2ccccc2c2ccccc21)C[C@@H]1CCC[NH+](C)C1 ZINC000607358488 507699415 /nfs/dbraw/zinc/69/94/15/507699415.db2.gz NLKBPERSSBANLM-MOPGFXCFSA-N 2 0 365.521 3.429 20 0 FGADRP C[N@H+](C[C@@H](O)COc1ccc(-c2ccccc2)cc1)C[C@H]1CCC[NH+](C)C1 ZINC000607358514 507701295 /nfs/dbraw/zinc/70/12/95/507701295.db2.gz XGDFHEZRCPZXRS-SIKLNZKXSA-N 2 0 368.521 3.367 20 0 FGADRP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3ccc(CC(F)(F)F)cc3)C2)CC1 ZINC000602465913 507718398 /nfs/dbraw/zinc/71/83/98/507718398.db2.gz RZLUYUROHNGOKN-SFHVURJKSA-N 2 0 355.448 3.003 20 0 FGADRP FC(F)(F)c1c[nH]c(=NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)s1 ZINC000477724102 515568362 /nfs/dbraw/zinc/56/83/62/515568362.db2.gz LFACELLEENNWAM-UHFFFAOYSA-N 2 0 371.432 3.181 20 0 FGADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N[C@H]2CCC[NH2+]CC2)cc1 ZINC000669117751 568033289 /nfs/dbraw/zinc/03/32/89/568033289.db2.gz FHPGJABTWLDWIY-PXNSSMCTSA-N 2 0 358.530 3.002 20 0 FGADRP COc1cc(F)cc(OC)c1C[NH2+]C1CCN(c2cc(C)nc(C)n2)CC1 ZINC000631085157 568224131 /nfs/dbraw/zinc/22/41/31/568224131.db2.gz HDBXQKIKOGJIGG-UHFFFAOYSA-N 2 0 374.460 3.008 20 0 FGADRP CC[C@@H]([NH2+]CCN1CC[NH+](Cc2ccccc2)CC1)c1ccc(F)cn1 ZINC000390838999 568309957 /nfs/dbraw/zinc/30/99/57/568309957.db2.gz BFWUIXFGISCEJB-HXUWFJFHSA-N 2 0 356.489 3.079 20 0 FGADRP CC[N@H+](CCC1CC[NH+](Cc2cccc(-c3nn[nH]n3)c2)CC1)CC1CC1 ZINC000825419197 608882431 /nfs/dbraw/zinc/88/24/31/608882431.db2.gz KNIWABOPSOURDF-UHFFFAOYSA-N 2 0 368.529 3.201 20 0 FGADRP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824532597 609350475 /nfs/dbraw/zinc/35/04/75/609350475.db2.gz VQRPMYHSEBKWRO-OFQRWUPVSA-N 2 0 372.492 3.309 20 0 FGADRP CCc1ccc(NC(=S)N(CCC[NH+](C)C)CCC[NH+](C)C)cc1 ZINC000007518596 695571220 /nfs/dbraw/zinc/57/12/20/695571220.db2.gz DUKLMRDMJLPZHJ-UHFFFAOYSA-N 2 0 350.576 3.151 20 0 FGADRP C[C@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)c1sccc1Br ZINC000037240476 695754678 /nfs/dbraw/zinc/75/46/78/695754678.db2.gz BGRMDALDSJBEGC-LBPRGKRZSA-N 2 0 360.365 3.187 20 0 FGADRP C[C@H](NC(=[NH2+])NCCCC[NH+]1CCOCC1)c1ccc(Cl)cc1Cl ZINC000104169742 700492399 /nfs/dbraw/zinc/49/23/99/700492399.db2.gz PFGQLXJSEAGGCN-ZDUSSCGKSA-N 2 0 373.328 3.071 20 0 FGADRP CC(C)COC(=O)N1CCC([NH2+]C[C@@H]2CCC[N@H+](CC(C)C)C2)CC1 ZINC000120819354 700660432 /nfs/dbraw/zinc/66/04/32/700660432.db2.gz HRYSCZXKMDDBHS-SFHVURJKSA-N 2 0 353.551 3.201 20 0 FGADRP O[C@H](C[NH2+]C1CC[NH+](CC2CC2)CC1)c1ccc(OC(F)(F)F)cc1 ZINC000125585959 700737649 /nfs/dbraw/zinc/73/76/49/700737649.db2.gz SOHMLXAKLTXHML-QGZVFWFLSA-N 2 0 358.404 3.083 20 0 FGADRP C[C@@H](C[NH2+][C@H]1CCc2cc(Cl)cc(Cl)c21)CN1CC[NH+](C)CC1 ZINC000134378885 704822064 /nfs/dbraw/zinc/82/20/64/704822064.db2.gz LTKLGRURRCMPPG-GUYCJALGSA-N 2 0 356.341 3.454 20 0 FGADRP CN(c1ccccc1C[NH2+]C[C@@H]1CSCCS1)C1CC[NH+](C)CC1 ZINC000151134553 704913489 /nfs/dbraw/zinc/91/34/89/704913489.db2.gz JKNZDZKMMVSYAE-GOSISDBHSA-N 2 0 365.612 3.155 20 0 FGADRP C[C@@H]([NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1)c1ccnc(Cl)c1 ZINC000163524865 705316234 /nfs/dbraw/zinc/31/62/34/705316234.db2.gz YOYRGKZMPAXXJJ-CQSZACIVSA-N 2 0 366.937 3.012 20 0 FGADRP CC[NH+](CC)Cc1ccccc1CNC(=O)[C@@H]([NH3+])c1cccc(Cl)c1 ZINC000163870194 705321444 /nfs/dbraw/zinc/32/14/44/705321444.db2.gz HPQHLBZGLPEBBZ-IBGZPJMESA-N 2 0 359.901 3.498 20 0 FGADRP CN(C)CC[NH+]1CCC(C[NH2+][C@@H]2CCSc3c(F)cccc32)CC1 ZINC000178739054 705674437 /nfs/dbraw/zinc/67/44/37/705674437.db2.gz VFCHGKDAKPRCKI-GOSISDBHSA-N 2 0 351.535 3.226 20 0 FGADRP C[C@H](C[NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)CC1)C[NH+]1CCCCC1 ZINC000182723686 705858294 /nfs/dbraw/zinc/85/82/94/705858294.db2.gz DKWGYIAMXCFBKL-MSOLQXFVSA-N 2 0 353.551 3.488 20 0 FGADRP CC1(O)CC[NH+](CCCCCCCCC[NH+]2CCC(C)(O)CC2)CC1 ZINC000189083615 712785622 /nfs/dbraw/zinc/78/56/22/712785622.db2.gz MFVNXLIMQPPKPN-UHFFFAOYSA-N 2 0 354.579 3.411 20 0 FGADRP C[NH+](C)CCC1CC[NH+](C[C@@]2(C)CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000195164196 713547687 /nfs/dbraw/zinc/54/76/87/713547687.db2.gz UVDRSWMVIGGOFT-HXUWFJFHSA-N 2 0 353.551 3.297 20 0 FGADRP COc1ccc(C[NH2+]CCCC[NH+]2C[C@H](C)O[C@@H](C)C2)c(Cl)c1OC ZINC000237346471 713590728 /nfs/dbraw/zinc/59/07/28/713590728.db2.gz JOYSGBFZEZECNT-GJZGRUSLSA-N 2 0 370.921 3.336 20 0 FGADRP CC[NH+](CC)C[C@H]1CC[N@H+](C[C@@]2(C)CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000248665804 713655893 /nfs/dbraw/zinc/65/58/93/713655893.db2.gz MMHOTVFDRAABDQ-YLJYHZDGSA-N 2 0 353.551 3.297 20 0 FGADRP C[C@@H]([NH2+][C@@H](CNC(=O)OC(C)(C)C)C1CCCC1)C1CC[NH+](C)CC1 ZINC000302061668 713782604 /nfs/dbraw/zinc/78/26/04/713782604.db2.gz QUMMKHNECZYVOA-QAPCUYQASA-N 2 0 353.551 3.390 20 0 FGADRP Cc1cc(Br)ccc1[C@@H](C)[NH2+]CCCC[NH+]1CCN(C)CC1 ZINC000641789270 717930244 /nfs/dbraw/zinc/93/02/44/717930244.db2.gz NIJSLADRVVWRTJ-MRXNPFEDSA-N 2 0 368.363 3.436 20 0 FGADRP CC(C)(C)OC(=O)N1CCC(C)(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000386011721 713984508 /nfs/dbraw/zinc/98/45/08/713984508.db2.gz UXVJQDIRSMEWHU-SJORKVTESA-N 2 0 351.535 3.240 20 0 FGADRP O[C@@H]1[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CCCC1(F)F ZINC000414309687 714003900 /nfs/dbraw/zinc/00/39/00/714003900.db2.gz YKNDOBXARXSSHX-QXCZDIPSSA-N 2 0 350.453 3.320 20 0 FGADRP COCC1(C[NH2+][C@H]2CCCc3ccc(Br)cc32)CC[NH2+]CC1 ZINC000423397827 714013994 /nfs/dbraw/zinc/01/39/94/714013994.db2.gz CHXNDQUBWCPNFL-KRWDZBQOSA-N 2 0 367.331 3.432 20 0 FGADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)N1CCC(C[NH+](CC)CC)CC1 ZINC000523005304 714216367 /nfs/dbraw/zinc/21/63/67/714216367.db2.gz PJEUUHARGYLOCP-IBGZPJMESA-N 2 0 352.567 3.014 20 0 FGADRP C[C@@H](CNC(=O)NCCCCC[NH+]1CCCCC1)[N@@H+]1CCCC[C@@H]1C ZINC000523603262 714243077 /nfs/dbraw/zinc/24/30/77/714243077.db2.gz KNXJUBZDFNDEGX-OALUTQOASA-N 2 0 352.567 3.205 20 0 FGADRP CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000524370703 714280483 /nfs/dbraw/zinc/28/04/83/714280483.db2.gz ZFBDQGFJYWENOR-UHFFFAOYSA-N 2 0 372.340 3.225 20 0 FGADRP Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)CC[C@H]1CCC[NH2+]C1 ZINC000621643615 715013860 /nfs/dbraw/zinc/01/38/60/715013860.db2.gz IYJDKLCWBAUUBU-QGZVFWFLSA-N 2 0 361.555 3.262 20 0 FGADRP COC[C@@H](CCC[NH3+])[NH2+][C@H]1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000643458563 718035008 /nfs/dbraw/zinc/03/50/08/718035008.db2.gz DVHQNAXYLSAMTC-KXNHARMFSA-N 2 0 350.347 3.239 20 0 FGADRP CN1CCO[C@@H]([C@H]([NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)c2ccc(Cl)cc2)C1 ZINC000643532348 718038225 /nfs/dbraw/zinc/03/82/25/718038225.db2.gz GCARWVXWDGINBW-XNFNUYLZSA-N 2 0 365.949 3.066 20 0 FGADRP COc1ccc(Cl)cc1N1CC[C@@H]([NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)C1 ZINC000623396343 715327001 /nfs/dbraw/zinc/32/70/01/715327001.db2.gz PCZRERHOGGFLFH-HZPDHXFCSA-N 2 0 351.922 3.390 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)NC[C@H]1CCCC[N@H+](C)C1)c1ccsc1 ZINC000623420823 715332670 /nfs/dbraw/zinc/33/26/70/715332670.db2.gz PLOLFAQKLYQSOZ-AEFFLSMTSA-N 2 0 366.575 3.162 20 0 FGADRP COc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]C[C@@H]1CCCC[N@H+](C)C1 ZINC000624119929 715476708 /nfs/dbraw/zinc/47/67/08/715476708.db2.gz MUSDEQNEROJJHX-CABCVRRESA-N 2 0 367.921 3.387 20 0 FGADRP C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]C[C@H]1CCCC[N@H+](C)C1 ZINC000624120662 715477627 /nfs/dbraw/zinc/47/76/27/715477627.db2.gz DPCQKGXKXCDBMD-IAGOWNOFSA-N 2 0 365.949 3.399 20 0 FGADRP C[NH+](C)[C@@H](CNC(=O)NC[C@@H]1CC[N@@H+]1C1CCCCC1)c1cccs1 ZINC000624548436 715554222 /nfs/dbraw/zinc/55/42/22/715554222.db2.gz OSQSEEDQWVVBFR-IRXDYDNUSA-N 2 0 364.559 3.057 20 0 FGADRP C[C@@H]1CSc2ccc(Br)cc2[C@@H]1[NH2+]CCOCCC[NH3+] ZINC000629536390 716304305 /nfs/dbraw/zinc/30/43/05/716304305.db2.gz GXMWSCJQPBGHMP-IAQYHMDHSA-N 2 0 359.333 3.187 20 0 FGADRP O[C@H](C[NH2+]C[C@H]1CCN1C1CCCCC1)COCc1ccc(Cl)cc1 ZINC000629608272 716321476 /nfs/dbraw/zinc/32/14/76/716321476.db2.gz SCHPHTUOPLRWLZ-WOJBJXKFSA-N 2 0 366.933 3.214 20 0 FGADRP COCCc1ncc(C[NH2+]CC2CC[NH+](Cc3ccccc3)CC2)s1 ZINC000631054556 716556113 /nfs/dbraw/zinc/55/61/13/716556113.db2.gz UXXLPPUCMKCJDV-UHFFFAOYSA-N 2 0 359.539 3.334 20 0 FGADRP O=S1(=O)CCC[C@H]([NH2+]Cc2ccccc2C[NH+]2CCCCCC2)CC1 ZINC000634961642 717135931 /nfs/dbraw/zinc/13/59/31/717135931.db2.gz ZNIXNYJPZGMSGT-FQEVSTJZSA-N 2 0 364.555 3.120 20 0 FGADRP O[C@@H](C[NH2+]CC1CC[NH+](C2CC2)CC1)COc1ccc(Cl)c(Cl)c1 ZINC000644633664 718136370 /nfs/dbraw/zinc/13/63/70/718136370.db2.gz RBNIQKAQGXCMOG-HNNXBMFYSA-N 2 0 373.324 3.197 20 0 FGADRP [NH3+][C@H]1CCCC[C@H]1CC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000645242827 718196267 /nfs/dbraw/zinc/19/62/67/718196267.db2.gz RNZJYAOJNUVOMN-LPHOPBHVSA-N 2 0 363.933 3.328 20 0 FGADRP FC(F)(F)c1ccc(N2CC[C@H]([NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@H]4C3)C2)cc1 ZINC000647786742 718377723 /nfs/dbraw/zinc/37/77/23/718377723.db2.gz XXBDZGMQUWEETN-ABFRBSLYSA-N 2 0 353.432 3.262 20 0 FGADRP c1ccc2sc(N3CCC([NH2+][C@@H]4CC[C@@H]5C[NH2+]C[C@H]5C4)CC3)nc2c1 ZINC000647792320 718377982 /nfs/dbraw/zinc/37/79/82/718377982.db2.gz ZEZUJOMCGOGGDR-BFYDXBDKSA-N 2 0 356.539 3.243 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)c1ccccc1Cl ZINC000648724379 718446789 /nfs/dbraw/zinc/44/67/89/718446789.db2.gz VXFMPNMQTZYCOU-RKVPGOIHSA-N 2 0 351.922 3.179 20 0 FGADRP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)[C@H]([NH3+])c2cccc(Cl)c2)C1 ZINC000649295528 718502213 /nfs/dbraw/zinc/50/22/13/718502213.db2.gz UIUGGZAMVHCXSE-IIDMSEBBSA-N 2 0 351.922 3.214 20 0 FGADRP Cc1ccc([C@@H](CNC(=O)[C@@H]([NH3+])c2cccc(Cl)c2)[NH+]2CCCC2)o1 ZINC000649317629 718503962 /nfs/dbraw/zinc/50/39/62/718503962.db2.gz HJWZRWQHXMDEED-AEFFLSMTSA-N 2 0 361.873 3.195 20 0 FGADRP C[NH+](C)CCCOc1ccc(NC(=O)[C@H]([NH3+])c2cccc(Cl)c2)cc1 ZINC000649329021 718504618 /nfs/dbraw/zinc/50/46/18/718504618.db2.gz XMEYSWRQQUAOTO-GOSISDBHSA-N 2 0 361.873 3.309 20 0 FGADRP C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)[C@H]([NH3+])c2cccc(Cl)c2)C1 ZINC000649342908 718505659 /nfs/dbraw/zinc/50/56/59/718505659.db2.gz WVNUZGYUDYIYEJ-RBUKOAKNSA-N 2 0 357.885 3.073 20 0 FGADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@H+](Cc3csc(Br)c3)C2)C1 ZINC000650706202 718716907 /nfs/dbraw/zinc/71/69/07/718716907.db2.gz GIQFWVDDIIZFOO-MCIONIFRSA-N 2 0 359.333 3.229 20 0 FGADRP [NH3+]CC1(CC[NH2+]Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)CC1 ZINC000650713851 718719015 /nfs/dbraw/zinc/71/90/15/718719015.db2.gz FZQKDDRQAWNSQH-UHFFFAOYSA-N 2 0 352.404 3.169 20 0 FGADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2Cc2cc(Cl)cc3c2OCC3)C1 ZINC000650723726 718721102 /nfs/dbraw/zinc/72/11/02/718721102.db2.gz SJEHPAMWESFKBN-KURKYZTESA-N 2 0 350.890 3.136 20 0 FGADRP Fc1cccc(Cl)c1CN1CCC([NH2+]CCC2CC[NH2+]CC2)CC1 ZINC000650764291 718725017 /nfs/dbraw/zinc/72/50/17/718725017.db2.gz VFXXVUDUURIYDV-UHFFFAOYSA-N 2 0 353.913 3.423 20 0 FGADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@H+](CCCOc3ccc(Cl)cc3)C2)C1 ZINC000652347014 718934912 /nfs/dbraw/zinc/93/49/12/718934912.db2.gz OEPSJTZWPOYKSQ-KVSKMBFKSA-N 2 0 352.906 3.327 20 0 FGADRP Cc1oc(-c2ccsc2)nc1C[N@@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652349259 718935360 /nfs/dbraw/zinc/93/53/60/718935360.db2.gz IHUFIZDGMMDCRB-LESCRADOSA-N 2 0 361.511 3.430 20 0 FGADRP [NH3+]C[C@]12CCC[C@H]1C[N@@H+]([C@H]1CCN(c3ccc(Cl)c(Cl)c3)C1=O)C2 ZINC000652352598 718935752 /nfs/dbraw/zinc/93/57/52/718935752.db2.gz CUDVNTWEJDXNOT-IWEFOYFVSA-N 2 0 368.308 3.160 20 0 FGADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2CCC(=O)Nc2cccc(Cl)c2)C1 ZINC000652361664 718936827 /nfs/dbraw/zinc/93/68/27/718936827.db2.gz LXPKQQBRJXTVMN-NXHRZFHOSA-N 2 0 365.905 3.029 20 0 FGADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2CCOc2ccc(F)cc2Cl)C1 ZINC000652363639 718937337 /nfs/dbraw/zinc/93/73/37/718937337.db2.gz JWYONGVTZRXCBD-HFTRVMKXSA-N 2 0 356.869 3.219 20 0 FGADRP CC(C)C[C@H](C[NH3+])NC(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000652612828 718966090 /nfs/dbraw/zinc/96/60/90/718966090.db2.gz CKWBSRVAQSWPMA-QGZVFWFLSA-N 2 0 364.559 3.369 20 0 FGADRP C[C@H]([NH3+])C[C@H](C)NC(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000652614037 718966545 /nfs/dbraw/zinc/96/65/45/718966545.db2.gz LPDOQVUQFUKGRX-GJZGRUSLSA-N 2 0 350.532 3.122 20 0 FGADRP Cc1ccc(S(=O)(=O)[C@H]2CCCC[C@@H]2[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)cc1 ZINC000655805331 719342208 /nfs/dbraw/zinc/34/22/08/719342208.db2.gz LWISIRQJMAYUHA-HNJRGHQBSA-N 2 0 364.555 3.010 20 0 FGADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2cn(-c3ccc(Cl)c(Cl)c3)nn2)C1 ZINC000655827336 719345123 /nfs/dbraw/zinc/34/51/23/719345123.db2.gz SPJDTDXZOXPJCM-VDISTLRHSA-N 2 0 354.285 3.004 20 0 FGADRP Fc1cc2c(c(F)c1)CC[C@H]2[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000656678468 719440767 /nfs/dbraw/zinc/44/07/67/719440767.db2.gz TWKASSHTJKVSJQ-HXUWFJFHSA-N 2 0 350.453 3.433 20 0 FGADRP O[C@@H]1CC[N@H+](Cc2ccccc2C[NH2+]Cc2cc3ccncc3s2)C1 ZINC000657432729 719649061 /nfs/dbraw/zinc/64/90/61/719649061.db2.gz QENRHYRCLDHTSK-GOSISDBHSA-N 2 0 353.491 3.153 20 0 FGADRP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+]Cc3cc4ccncc4s3)cc2)C1 ZINC000657595143 719680745 /nfs/dbraw/zinc/68/07/45/719680745.db2.gz FOAMPTGDFQJURF-GOSISDBHSA-N 2 0 353.491 3.153 20 0 FGADRP C[C@@H]1CCC[C@H](C[NH2+]Cc2c(Cl)cccc2N2CC[NH+](C)CC2)O1 ZINC000657668309 719691531 /nfs/dbraw/zinc/69/15/31/719691531.db2.gz UAVNPYRJGNSRLU-HZPDHXFCSA-N 2 0 351.922 3.139 20 0 FGADRP CC(C)[C@H](Cc1ccc(Br)cc1)[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000657886801 719725511 /nfs/dbraw/zinc/72/55/11/719725511.db2.gz JLZJAGKIAJFVDZ-KRWDZBQOSA-N 2 0 369.347 3.063 20 0 FGADRP CCO[C@H]1C[C@@H]([NH2+]CC2CC[NH+](C3CCOCC3)CC2)C1(CC)CC ZINC000658067149 719750370 /nfs/dbraw/zinc/75/03/70/719750370.db2.gz KNFMIBKWFCLHGH-UXHICEINSA-N 2 0 352.563 3.451 20 0 FGADRP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]CC(C)(C)[C@@]2(O)CCCOC2)CC1 ZINC000658308253 719783662 /nfs/dbraw/zinc/78/36/62/719783662.db2.gz CVVXDHWYALHUAN-YFVAEKQCSA-N 2 0 352.563 3.187 20 0 FGADRP CC[NH+](CC)CCCN(Cc1ccc(Cl)cc1)C(=O)N[C@@H](C)[C@@H](C)[NH3+] ZINC000659549366 719924806 /nfs/dbraw/zinc/92/48/06/719924806.db2.gz MRFSIPHXSUOUJC-CVEARBPZSA-N 2 0 368.953 3.319 20 0 FGADRP COc1cccc(SCC[NH+]2CCC(CC[NH+]3CCOCC3)CC2)c1 ZINC000659861337 719946745 /nfs/dbraw/zinc/94/67/45/719946745.db2.gz SRROEIYQKQYTOO-UHFFFAOYSA-N 2 0 364.555 3.222 20 0 FGADRP CO[C@H](C[NH+]1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1)C1CCCCC1 ZINC000659863302 719947287 /nfs/dbraw/zinc/94/72/87/719947287.db2.gz HSJYSGLWCQLITO-SFHLNBCPSA-N 2 0 351.579 3.072 20 0 FGADRP CO[C@H](C[NH+]1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1)C1CCCCC1 ZINC000659863300 719947313 /nfs/dbraw/zinc/94/73/13/719947313.db2.gz HSJYSGLWCQLITO-IRFCIJBXSA-N 2 0 351.579 3.072 20 0 FGADRP C[N@H+](CC1CC1)C[C@H]1CC[NH+](CC[C@@H]2Sc3ccccc3NC2=O)C1 ZINC000659979902 719967117 /nfs/dbraw/zinc/96/71/17/719967117.db2.gz YUJONOCLRYQJQX-APWZRJJASA-N 2 0 359.539 3.153 20 0 FGADRP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)CCCC(=O)NCC(C)C)C2)s1 ZINC000660498146 720061487 /nfs/dbraw/zinc/06/14/87/720061487.db2.gz XARLSIHWJHBIBE-SFHVURJKSA-N 2 0 365.587 3.363 20 0 FGADRP COc1cccc(SCC[NH+]2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)c1 ZINC000662281840 720409443 /nfs/dbraw/zinc/40/94/43/720409443.db2.gz PXISGUNPCOWTBM-VQIMIIECSA-N 2 0 350.528 3.006 20 0 FGADRP CSc1ccc(NC(=O)[C@@H](C)[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)cc1 ZINC000662290170 720409860 /nfs/dbraw/zinc/40/98/60/720409860.db2.gz AGEAVIBENQJKJA-WBVHZDCISA-N 2 0 361.555 3.447 20 0 FGADRP CC[C@@H]1c2ccsc2CCN1C(=O)C[N@@H+]1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000662314130 720414619 /nfs/dbraw/zinc/41/46/19/720414619.db2.gz NATSDPYDVUYPQB-KBAYOESNSA-N 2 0 363.571 3.423 20 0 FGADRP CCOc1cc[nH+]c(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)c1 ZINC001164838057 720540275 /nfs/dbraw/zinc/54/02/75/720540275.db2.gz NTCSGWNWXPVVFI-WSTZPKSXSA-N 2 0 369.513 3.055 20 0 FGADRP CCCOc1c(Br)cc(C[NH2+][C@@H]2CCC[NH2+]CC2)cc1OC ZINC000666855219 720991195 /nfs/dbraw/zinc/99/11/95/720991195.db2.gz GFJRBNBIDCCQPJ-CQSZACIVSA-N 2 0 371.319 3.478 20 0 FGADRP COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+][C@H]1CC[NH2+]C2(CCC2)C1 ZINC000666995783 721010618 /nfs/dbraw/zinc/01/06/18/721010618.db2.gz ZWXFVGDIKSNZHR-ZFWWWQNUSA-N 2 0 365.905 3.330 20 0 FGADRP CC[C@H](C[NH+]1CCCC1)NC(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000667826370 721179046 /nfs/dbraw/zinc/17/90/46/721179046.db2.gz OOHPTDCNULEDEJ-CQSZACIVSA-N 2 0 358.408 3.160 20 0 FGADRP Cc1c[nH+]c(N2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)cc1N ZINC001164796741 721499510 /nfs/dbraw/zinc/49/95/10/721499510.db2.gz WOPGJTGNOVCXDW-UHFFFAOYSA-N 2 0 351.498 3.248 20 0 FGADRP CC[NH+](CC)[C@H](C(=O)NC[C@@H](C)[NH+](C)C)c1cccc(C(F)(F)F)c1 ZINC000673636963 721668651 /nfs/dbraw/zinc/66/86/51/721668651.db2.gz CKHNOKOJAOSXLN-CJNGLKHVSA-N 2 0 359.436 3.155 20 0 FGADRP COc1cc[nH+]c(N2CCC3(CC2)C[N@H+](Cc2ccc(C)cc2)CCO3)c1 ZINC001164937312 721921180 /nfs/dbraw/zinc/92/11/80/721921180.db2.gz BSBCSGRLODTULG-UHFFFAOYSA-N 2 0 367.493 3.270 20 0 FGADRP C[C@H]([NH2+]C[C@H](CO)Cc1ccc(C(F)(F)F)cc1)C1CC[NH+](C)CC1 ZINC000678601073 721967029 /nfs/dbraw/zinc/96/70/29/721967029.db2.gz YLXUHHXDTAITKX-GOEBONIOSA-N 2 0 358.448 3.176 20 0 FGADRP C[C@H](C[C@@H]1CCCN1C(=O)OC(C)(C)C)[NH2+]C[C@H]1CCCC[N@H+](C)C1 ZINC000700802281 722409759 /nfs/dbraw/zinc/40/97/59/722409759.db2.gz HJQNIIVBGHLZJY-KURKYZTESA-N 2 0 353.551 3.486 20 0 FGADRP OC1(CC[NH2+]C2C[C@H]3CC[C@@H](C2)S3)CC[NH+](Cc2ccccc2)CC1 ZINC000717928683 722417912 /nfs/dbraw/zinc/41/79/12/722417912.db2.gz WNYPGSPMOOVVQY-IHWFROFDSA-N 2 0 360.567 3.420 20 0 FGADRP Cc1nn(C)c2nc(Cl)c(C[NH+]3CCC(C[N@@H+](C)C(C)C)CC3)cc12 ZINC000728571589 722452576 /nfs/dbraw/zinc/45/25/76/722452576.db2.gz GFLCRXUBUROUBW-UHFFFAOYSA-N 2 0 363.937 3.482 20 0 FGADRP CCCC[N@H+](C)CCNC(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000732888694 722490037 /nfs/dbraw/zinc/49/00/37/722490037.db2.gz YYFNDVQUZFYVET-UHFFFAOYSA-N 2 0 352.567 3.062 20 0 FGADRP C[C@H](OC[C@@H](O)C[N@H+](C)C[C@H]1CCC[NH+](C)C1)c1ccc(Cl)cc1 ZINC000741385390 722545268 /nfs/dbraw/zinc/54/52/68/722545268.db2.gz FTDWORQIJDDYIO-BXWFABGCSA-N 2 0 354.922 3.052 20 0 FGADRP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)NCCCCCCC[NH+]1CCCC1 ZINC000747955210 722669272 /nfs/dbraw/zinc/66/92/72/722669272.db2.gz ORYGAQZVEOAEJW-LJQANCHMSA-N 2 0 352.567 3.014 20 0 FGADRP C[NH+](C)[C@H]1CCC[C@H](NC(=O)NCCCCCCC[NH+]2CCCC2)C1 ZINC000749578490 722733466 /nfs/dbraw/zinc/73/34/66/722733466.db2.gz CKQJZQPLLJPZMD-OALUTQOASA-N 2 0 352.567 3.205 20 0 FGADRP C[NH+](C)[C@H]1CCC[N@H+](CCC2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000763618040 723356058 /nfs/dbraw/zinc/35/60/58/723356058.db2.gz ZFSJABXKAKXIGI-SFHVURJKSA-N 2 0 353.551 3.440 20 0 FGADRP CC(C)(C)OC(=O)NCC1CCC([NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000796263046 723629202 /nfs/dbraw/zinc/62/92/02/723629202.db2.gz FLTUHRAIHULEMA-AQFXKWCLSA-N 2 0 351.535 3.144 20 0 FGADRP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)[C@H]2CCC[C@@H]21 ZINC000796737380 723652655 /nfs/dbraw/zinc/65/26/55/723652655.db2.gz AGVOYMRSRZFUBY-MHORFTMASA-N 2 0 351.535 3.096 20 0 FGADRP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)[C@@H]2CCC[C@@H]21 ZINC000796737382 723652666 /nfs/dbraw/zinc/65/26/66/723652666.db2.gz AGVOYMRSRZFUBY-XSLAGTTESA-N 2 0 351.535 3.096 20 0 FGADRP COc1c(C)cc([C@@H](C)[NH2+]CCCN2CCC[N@H+](C)CC2)cc1Cl ZINC000796766148 723653949 /nfs/dbraw/zinc/65/39/49/723653949.db2.gz SWTPCAPMRZVVLH-MRXNPFEDSA-N 2 0 353.938 3.335 20 0 FGADRP C[NH+]1CCC2(CCC[N@H+](C[C@H](O)c3cccc(Br)c3)C2)CC1 ZINC000799176766 723995132 /nfs/dbraw/zinc/99/51/32/723995132.db2.gz CMOXJWUHXVLWMP-KRWDZBQOSA-N 2 0 367.331 3.290 20 0 FGADRP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCC[C@H](CCNC(=O)OC(C)(C)C)C1 ZINC000799358609 724017418 /nfs/dbraw/zinc/01/74/18/724017418.db2.gz NKFGAXQAGBDUPA-QZTJIDSGSA-N 2 0 353.551 3.488 20 0 FGADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)OC(C)(C)C)C2 ZINC000802009060 724353036 /nfs/dbraw/zinc/35/30/36/724353036.db2.gz LNKHOPJPEHDSJH-YLJYHZDGSA-N 2 0 351.535 3.194 20 0 FGADRP C[NH+]1CCC(C[N@@H+]2CCCN(C(=O)Nc3cccc(Cl)c3)CC2)CC1 ZINC000788494922 725067835 /nfs/dbraw/zinc/06/78/35/725067835.db2.gz VTYSZDLMVXMYSO-UHFFFAOYSA-N 2 0 364.921 3.221 20 0 FGADRP CC(C)[NH+]1CCC([NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)CC[C@H]2C)CC1 ZINC000788651849 725078609 /nfs/dbraw/zinc/07/86/09/725078609.db2.gz NCJGYKNVIFWXCL-SJLPKXTDSA-N 2 0 353.551 3.484 20 0 FGADRP C[C@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000788732115 725084389 /nfs/dbraw/zinc/08/43/89/725084389.db2.gz CWSDRPSEFHIOCY-DLBZAZTESA-N 2 0 353.551 3.344 20 0 FGADRP CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)C1 ZINC000809950999 725277806 /nfs/dbraw/zinc/27/78/06/725277806.db2.gz UWIILXFKNBFMTJ-HNAYVOBHSA-N 2 0 367.534 3.214 20 0 FGADRP CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)NC2CC[NH+](C3CCCCC3)CC2)C1 ZINC000810468189 725309495 /nfs/dbraw/zinc/30/94/95/725309495.db2.gz DKLPCLHTWJFYEZ-FQEVSTJZSA-N 2 0 353.526 3.112 20 0 FGADRP C[N@@H+]1CCC[C@]2(CC[NH+](C[C@@H](O)Cc3ccc(C(F)(F)F)cc3)C2)C1 ZINC000815145067 727044605 /nfs/dbraw/zinc/04/46/05/727044605.db2.gz VFSNRRKNOMLHQO-ROUUACIJSA-N 2 0 356.432 3.027 20 0 FGADRP C[C@H](OC[C@@H](O)C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2)c1ccc(Cl)cc1 ZINC000815145593 727044994 /nfs/dbraw/zinc/04/49/94/727044994.db2.gz ZHFFFTWJRXBPPU-VDGAXYAQSA-N 2 0 366.933 3.196 20 0 FGADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+]C[C@@H](O)c2ccc(Br)cc2)C1 ZINC000818985783 727334822 /nfs/dbraw/zinc/33/48/22/727334822.db2.gz VYEOARFCKIYSJR-RHSMWYFYSA-N 2 0 355.320 3.193 20 0 FGADRP C[C@H](CC[NH+](C)C)[NH2+]C[C@@](C)(O)c1ccc(Br)cc1Cl ZINC000819061126 727343527 /nfs/dbraw/zinc/34/35/27/727343527.db2.gz SGCBXZNPXISWLY-IAQYHMDHSA-N 2 0 363.727 3.240 20 0 FGADRP O[C@@H](C[NH2+]C1CC[NH+](C2CCCC2)CC1)c1ccc(Br)cc1 ZINC000819134756 727351088 /nfs/dbraw/zinc/35/10/88/727351088.db2.gz MQJADMCEHQPJCO-SFHVURJKSA-N 2 0 367.331 3.479 20 0 FGADRP CC(C)C[N@@H+]1CC[C@@H](C[NH2+]C[C@H](O)c2cccc(Br)c2)C1 ZINC000819151963 727353047 /nfs/dbraw/zinc/35/30/47/727353047.db2.gz IXFFHESQJFSWBZ-YOEHRIQHSA-N 2 0 355.320 3.050 20 0 FGADRP C[C@@H]1C[C@H](C[N@H+](C)C[C@@H]2CCC[NH+](C)C2)CCN1C(=O)OC(C)(C)C ZINC000823409284 729277351 /nfs/dbraw/zinc/27/73/51/729277351.db2.gz WVDKYUJXTDSDKH-KZNAEPCWSA-N 2 0 353.551 3.296 20 0 FGADRP CC(C)[C@H](CNC(=O)OC(C)(C)C)C[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000824439678 729338437 /nfs/dbraw/zinc/33/84/37/729338437.db2.gz PRPVXSFMTGZPIJ-YLJYHZDGSA-N 2 0 353.551 3.201 20 0 FGADRP CC(C)(C)OC(=O)N1C[C@@H]2C[C@]2(C[NH2+]CCCCC[NH+]2CCCC2)C1 ZINC000824439532 729338554 /nfs/dbraw/zinc/33/85/54/729338554.db2.gz NGPSXSUATPFYLN-PXNSSMCTSA-N 2 0 351.535 3.099 20 0 FGADRP OC[C@H]1CCCC[N@@H+]1Cc1cc(Cl)cc(C[NH+]2CCCC[C@H]2CO)c1 ZINC000827411437 729429851 /nfs/dbraw/zinc/42/98/51/729429851.db2.gz UVNGRICNUXYWNR-BGYRXZFFSA-N 2 0 366.933 3.034 20 0 FGADRP CC[C@H]([NH2+]CC1CC[NH+](CC)CC1)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000834566191 729814837 /nfs/dbraw/zinc/81/48/37/729814837.db2.gz GCVDPMQYZDBPBL-ROUUACIJSA-N 2 0 353.551 3.486 20 0 FGADRP C[N@@H+]1CCC[C@H](CC[NH2+][C@@H]2CCCC[C@@H]2CNC(=O)OC(C)(C)C)C1 ZINC000840810937 730177523 /nfs/dbraw/zinc/17/75/23/730177523.db2.gz WQCOSOPLNOKHIT-KZNAEPCWSA-N 2 0 353.551 3.391 20 0 FGADRP CC[C@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000840810339 730177613 /nfs/dbraw/zinc/17/76/13/730177613.db2.gz RWAWHJQBEIXLAU-BZSNNMDCSA-N 2 0 353.551 3.486 20 0 FGADRP CCOC(=O)C(F)(F)[C@@H]1CC[C@H]([NH2+][C@@H](CCC[NH3+])c2ccccc2)C1 ZINC000841085854 730209193 /nfs/dbraw/zinc/20/91/93/730209193.db2.gz CPVGLPPXCMHZOO-IKGGRYGDSA-N 2 0 354.441 3.423 20 0 FGADRP CC[NH2+]CC1CC[NH+](Cc2ccccc2I)CC1 ZINC000843055575 730574530 /nfs/dbraw/zinc/57/45/30/730574530.db2.gz LXSYRQMRPPCFMN-UHFFFAOYSA-N 2 0 358.267 3.113 20 0 FGADRP Cc1nn(Cc2ccc(F)cc2)c(Cl)c1CN1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000843058258 730575043 /nfs/dbraw/zinc/57/50/43/730575043.db2.gz QLZSSRFAWUZKJE-SWLSCSKDSA-N 2 0 350.869 3.201 20 0 FGADRP C[N@@H+]1CC[C@H]([NH2+]CCC2(CNC(=O)OC(C)(C)C)CC2)[C@H]2CCC[C@@H]21 ZINC000846200732 730936253 /nfs/dbraw/zinc/93/62/53/730936253.db2.gz ULVQDQMOCCJHDE-IKGGRYGDSA-N 2 0 351.535 3.144 20 0 FGADRP [NH2+]=C(NC[C@H]1CCC(F)(F)C1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000849097176 731228838 /nfs/dbraw/zinc/22/88/38/731228838.db2.gz FFGYWFFHDODFKS-INIZCTEOSA-N 2 0 350.457 3.200 20 0 FGADRP O[C@H](C[NH2+]CC1CC[NH+](CC2CC2)CC1)c1ccccc1C(F)(F)F ZINC000853134153 731669497 /nfs/dbraw/zinc/66/94/97/731669497.db2.gz JTZVPBWXOSBFAC-GOSISDBHSA-N 2 0 356.432 3.450 20 0 FGADRP O[C@H](C[NH2+]CC1CC[NH+](CC2CC2)CC1)c1cccc(Br)c1 ZINC000853134731 731669862 /nfs/dbraw/zinc/66/98/62/731669862.db2.gz MMBHDJOPMZQISY-GOSISDBHSA-N 2 0 367.331 3.194 20 0 FGADRP CC[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](C[C@H]3CC3(Cl)Cl)C2)ccn1 ZINC000856596163 732039381 /nfs/dbraw/zinc/03/93/81/732039381.db2.gz SFCWZSOCHOMEGQ-CZUORRHYSA-N 2 0 358.313 3.180 20 0 FGADRP CC[NH+]1CCN([C@@H](C)C[NH2+]Cc2cc(C)c(F)cc2Br)CC1 ZINC000858097783 732180283 /nfs/dbraw/zinc/18/02/83/732180283.db2.gz ZCHXUANFCXFEJG-AWEZNQCLSA-N 2 0 372.326 3.012 20 0 FGADRP OCc1cc(N[C@H]2CC[N@H+](Cc3ccc(C(F)(F)F)cc3)C2)cc[nH+]1 ZINC000858410861 732212055 /nfs/dbraw/zinc/21/20/55/732212055.db2.gz CRLYYYLWGDIQQS-INIZCTEOSA-N 2 0 351.372 3.279 20 0 FGADRP C[NH+](C)CCCC(C)(C)[NH2+]C[C@H]1CC(F)(F)CN1C(=O)OC(C)(C)C ZINC000862387781 732822130 /nfs/dbraw/zinc/82/21/30/732822130.db2.gz QTNNMSQSLMWKQW-CQSZACIVSA-N 2 0 363.493 3.341 20 0 FGADRP C[NH+](C)C1CCC([NH2+]C[C@H]2CC(F)(F)CN2C(=O)OC(C)(C)C)CC1 ZINC000862397380 732824554 /nfs/dbraw/zinc/82/45/54/732824554.db2.gz PPWUWSQLJKAIME-YMAMQOFZSA-N 2 0 361.477 3.094 20 0 FGADRP Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1C[NH2+]CCOCCC[NH3+] ZINC000863649962 732990079 /nfs/dbraw/zinc/99/00/79/732990079.db2.gz LKHGHNHQQUMXJL-UHFFFAOYSA-N 2 0 371.312 3.002 20 0 FGADRP CC[N@@H+]1CCC[C@@H](C[NH2+]C[C@@H](CC(F)(F)F)NC(=O)OC(C)(C)C)C1 ZINC000865438040 733200956 /nfs/dbraw/zinc/20/09/56/733200956.db2.gz XWNVUKHBXGBUGK-UONOGXRCSA-N 2 0 367.456 3.154 20 0 FGADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]C[C@@H](CC(F)F)NC(=O)OC(C)(C)C)C1 ZINC000865449772 733203387 /nfs/dbraw/zinc/20/33/87/733203387.db2.gz FBAQDGAOHUOFPH-LSDHHAIUSA-N 2 0 363.493 3.245 20 0 FGADRP C[NH+]1CCC(C)(C[NH2+]C[C@@H](CC(F)(F)F)NC(=O)OC(C)(C)C)CC1 ZINC000865524517 733219801 /nfs/dbraw/zinc/21/98/01/733219801.db2.gz WIDFFEUMFVQMQX-CYBMUJFWSA-N 2 0 367.456 3.154 20 0 FGADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNCc1ncc(CN(C)C)s1 ZINC000865659618 733247951 /nfs/dbraw/zinc/24/79/51/733247951.db2.gz DLMHAROIUANOQN-WMZOPIPTSA-N 2 0 358.555 3.062 20 0 FGADRP C[C@@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)c1cc2c(ccnc2Cl)o1 ZINC000866264715 733330910 /nfs/dbraw/zinc/33/09/10/733330910.db2.gz DVQYVURBUGZVKX-KGLIPLIRSA-N 2 0 362.905 3.300 20 0 FGADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1cc2c(ccnc2Cl)o1 ZINC000866340701 733337409 /nfs/dbraw/zinc/33/74/09/733337409.db2.gz IFMJRFBGVGAGDX-KGLIPLIRSA-N 2 0 350.894 3.158 20 0 FGADRP CC[N@@H+]1CC[C@H]([NH2+][C@H]2CC[C@H](CNC(=O)OC(C)(C)C)CC2)[C@H](C)C1 ZINC000866453148 733351349 /nfs/dbraw/zinc/35/13/49/733351349.db2.gz IKQXBWJNLOSETD-TVFCKZIOSA-N 2 0 353.551 3.390 20 0 FGADRP Cc1ccc(S(=O)(=O)C[C@H](C)[NH2+]C2CCC(C)([NH+](C)C)CC2)cc1 ZINC000866516859 733360205 /nfs/dbraw/zinc/36/02/05/733360205.db2.gz DHGZRLLKOFWTGQ-MUYFXNHWSA-N 2 0 352.544 3.010 20 0 FGADRP C[C@@H]1C[C@H]([NH2+]C[C@H]2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)CC[N@@H+]1C ZINC000866549365 733364899 /nfs/dbraw/zinc/36/48/99/733364899.db2.gz MBFLNOAIBGVGJB-HSFUPAIVSA-N 2 0 351.535 3.237 20 0 FGADRP CC[N@@H+]1CC[C@H]([NH2+][C@H]2C[C@H]3C[C@@H](C2)N(C(=O)OC(C)(C)C)C3)[C@@H](C)C1 ZINC000872129285 735593755 /nfs/dbraw/zinc/59/37/55/735593755.db2.gz XIFZJXQONKHGAL-ATIWLJMLSA-N 2 0 351.535 3.094 20 0 FGADRP O=C(NC1CCCCC1)C1CC[NH+](Cc2cc3c(s2)CC[NH2+]C3)CC1 ZINC000873208271 735737994 /nfs/dbraw/zinc/73/79/94/735737994.db2.gz KHTSNUIUNLXPMG-UHFFFAOYSA-N 2 0 361.555 3.055 20 0 FGADRP C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@@H](C)C1CC[NH2+]CC1 ZINC000873219698 735739248 /nfs/dbraw/zinc/73/92/48/735739248.db2.gz FFSCWGXKDQEDLP-STQMWFEESA-N 2 0 368.319 3.144 20 0 FGADRP CCOc1c(OC)cc(C[N@@H+]2CC[C@@](C[NH3+])(C(C)(C)C)C2)cc1OC ZINC000873223457 735739676 /nfs/dbraw/zinc/73/96/76/735739676.db2.gz NSFXWAFWAMRFNH-FQEVSTJZSA-N 2 0 350.503 3.299 20 0 FGADRP FC(F)(F)C(F)(F)OCC[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000873283609 735746429 /nfs/dbraw/zinc/74/64/29/735746429.db2.gz XSFOTWYZLMLAMP-OCCSQVGLSA-N 2 0 366.330 3.004 20 0 FGADRP C[C@H]([NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2)c1ccc(F)cc1OC(F)F ZINC000873292599 735747085 /nfs/dbraw/zinc/74/70/85/735747085.db2.gz UQJBHXDYJLFPMZ-JSGCOSHPSA-N 2 0 358.404 3.236 20 0 FGADRP Brc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CC3(CO1)CC[NH2+]CC3)CC2 ZINC000873293755 735747696 /nfs/dbraw/zinc/74/76/96/735747696.db2.gz PASKDTZOBVEKEO-RDJZCZTQSA-N 2 0 365.315 3.185 20 0 FGADRP Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)/C=C\[C@@H]1CCC[NH2+]C1 ZINC000876743485 736139298 /nfs/dbraw/zinc/13/92/98/736139298.db2.gz DHVXKPKQEIIELF-QWPQOLDESA-N 2 0 359.539 3.038 20 0 FGADRP C[NH+](C)CCCC[NH2+][C@@H]1CC[C@@H]2[C@H](CCCN2C(=O)OC(C)(C)C)C1 ZINC000876989408 736171483 /nfs/dbraw/zinc/17/14/83/736171483.db2.gz YDBWJLZYECIIQJ-KZNAEPCWSA-N 2 0 353.551 3.486 20 0 FGADRP C[NH+](C)C[C@H](NC(=O)/C=C/[C@H]1CCC[NH2+]C1)c1ccc(Cl)c(Cl)c1 ZINC000877053273 736180972 /nfs/dbraw/zinc/18/09/72/736180972.db2.gz ITLUKHXSFQBBGS-GBFFFSQQSA-N 2 0 370.324 3.268 20 0 FGADRP CC(C)(C)O[C@@H]1C[C@H]([NH2+]C2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)C12CCC2 ZINC000877090635 736186904 /nfs/dbraw/zinc/18/69/04/736186904.db2.gz WTHYUNWWMVJWTI-AKHDSKFASA-N 2 0 350.547 3.080 20 0 FGADRP COCC[N@@H+](Cc1c(C2CC2)nc2sccn12)CC1CC[NH+](C)CC1 ZINC000877664581 736701926 /nfs/dbraw/zinc/70/19/26/736701926.db2.gz RLWSOYVMGWYXBW-UHFFFAOYSA-N 2 0 362.543 3.063 20 0 FGADRP CCSc1cccc(NC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c1 ZINC000878731267 736912212 /nfs/dbraw/zinc/91/22/12/736912212.db2.gz HUYFEJVUZCQSAW-HZPDHXFCSA-N 2 0 364.559 3.002 20 0 FGADRP [NH3+][C@H](C[C@H]1CCC[N@H+](C[C@H]2CCC3(CCOCC3)O2)C1)C1CCCC1 ZINC000883441178 737567082 /nfs/dbraw/zinc/56/70/82/737567082.db2.gz JHNQHIHREZTVKB-MISYRCLQSA-N 2 0 350.547 3.334 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CNC(=S)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000884236256 737646168 /nfs/dbraw/zinc/64/61/68/737646168.db2.gz PRNDTCRMHMMGMK-SFHVURJKSA-N 2 0 366.619 3.124 20 0 FGADRP CN(CCCCCC[NH3+])C(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000891597157 739919378 /nfs/dbraw/zinc/91/93/78/739919378.db2.gz LBLIWNYUTQRJRG-WMZOPIPTSA-N 2 0 366.575 3.292 20 0 FGADRP CC(C)[N@H+](C)Cc1cccc(C[NH2+][C@@H]2CCC3(C[C@H]2F)OCCO3)c1 ZINC000892697416 740033698 /nfs/dbraw/zinc/03/36/98/740033698.db2.gz SDCIYIYYIKOCHQ-RTBURBONSA-N 2 0 350.478 3.250 20 0 FGADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]C[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)C1 ZINC000893200404 742123147 /nfs/dbraw/zinc/12/31/47/742123147.db2.gz OMBFQSFNLQJMPS-KURKYZTESA-N 2 0 353.551 3.247 20 0 FGADRP C[NH+]1CCC(C[NH2+][C@H](CO)c2ccc(Cl)cc2C(F)(F)F)CC1 ZINC000894183251 742250034 /nfs/dbraw/zinc/25/00/34/742250034.db2.gz ZINDGLIKSGGDDA-OAHLLOKOSA-N 2 0 350.812 3.324 20 0 FGADRP O[C@@H]1CCC[C@@H]1[NH+]1CCC([NH2+]Cc2cc3ccnc(Cl)c3s2)CC1 ZINC000894331082 742268670 /nfs/dbraw/zinc/26/86/70/742268670.db2.gz AKRVENPARJGADE-JKSUJKDBSA-N 2 0 365.930 3.417 20 0 FGADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1cc2ccnc(Cl)c2s1 ZINC000894484123 742289843 /nfs/dbraw/zinc/28/98/43/742289843.db2.gz QDQSBFIVCJKDIO-ZDUSSCGKSA-N 2 0 352.935 3.065 20 0 FGADRP COc1ccc(Cl)c2c1CCC[C@H]2[NH2+]CCCC[NH+]1CCN(C)CC1 ZINC000903067766 743801304 /nfs/dbraw/zinc/80/13/04/743801304.db2.gz XDKUIFKECWRAHC-GOSISDBHSA-N 2 0 365.949 3.343 20 0 FGADRP C[C@@H]([NH2+]C1CC[NH+](C2CCCC2)CC1)C1(NC(=O)OC(C)(C)C)CC1 ZINC000903107362 743805586 /nfs/dbraw/zinc/80/55/86/743805586.db2.gz SBLAZBSTRIJEFS-OAHLLOKOSA-N 2 0 351.535 3.429 20 0 FGADRP O[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)c1cccc(C(F)(F)F)c1 ZINC000903120589 743809342 /nfs/dbraw/zinc/80/93/42/743809342.db2.gz PTBHQFDKZWUXDU-NXCDMZCRSA-N 2 0 354.416 3.486 20 0 FGADRP Fc1ccc([C@@H]2CCC[N@H+](C[C@H]3CC4(CO3)CC[NH2+]CC4)C2)cc1F ZINC000903769290 743882006 /nfs/dbraw/zinc/88/20/06/743882006.db2.gz BQGSJDGWTQLZBO-IAGOWNOFSA-N 2 0 350.453 3.303 20 0 FGADRP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@@H]2C[NH2+]CCC2(F)F)c(Cl)c1 ZINC000903955709 743904778 /nfs/dbraw/zinc/90/47/78/743904778.db2.gz AMZRRGUTLLWIOY-OLZOCXBDSA-N 2 0 359.848 3.200 20 0 FGADRP C[NH+](C)[C@H](CNC(=O)NC1CCC(C)([NH+]2CCC2)CC1)c1ccsc1 ZINC000914074531 757679721 /nfs/dbraw/zinc/67/97/21/757679721.db2.gz HKRSKPSXFVKOEW-TVRKMHQQSA-N 2 0 364.559 3.057 20 0 FGADRP CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3ncc(C(C)C)s3)C2)[C@H]1C(C)C ZINC000922395655 758914747 /nfs/dbraw/zinc/91/47/47/758914747.db2.gz YBWSTJUWAGNGTP-RGCFKVTRSA-N 2 0 351.560 3.226 20 0 FGADRP C[C@@H](c1ccc(S(C)(=O)=O)cc1)[N@H+](C)CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923300144 759097958 /nfs/dbraw/zinc/09/79/58/759097958.db2.gz BTOBLQTWVSWLLB-UNPWZGGWSA-N 2 0 350.528 3.004 20 0 FGADRP Cc1nn(CC(C)C)c(Cl)c1[C@@H]1CCC[N@@H+]1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923317246 759099668 /nfs/dbraw/zinc/09/96/68/759099668.db2.gz CSQFVZBLTMVZMP-CVEARBPZSA-N 2 0 366.937 3.016 20 0 FGADRP [NH3+]C[C@H]1CC2(CO1)CC[NH+](Cc1ncc(-c3cccc(Cl)c3)o1)CC2 ZINC000923448496 759119594 /nfs/dbraw/zinc/11/95/94/759119594.db2.gz DCULYLXANIPPBH-MRXNPFEDSA-N 2 0 361.873 3.325 20 0 FGADRP CCOc1ccc(-c2nc(C[N@@H+]3CC[C@H](CC[NH3+])C3)cs2)cc1OC ZINC000923482965 759129649 /nfs/dbraw/zinc/12/96/49/759129649.db2.gz JYBKOZBHSPLCMJ-AWEZNQCLSA-N 2 0 361.511 3.388 20 0 FGADRP C[C@H]1C[N@H+](Cc2nc(-c3ccc(C(F)(F)F)cc3)no2)CC[C@H]1C[NH3+] ZINC000923499973 759133673 /nfs/dbraw/zinc/13/36/73/759133673.db2.gz PIQWNJYFOBUYFP-AAEUAGOBSA-N 2 0 354.376 3.172 20 0 FGADRP C[NH+]1CCC(C[NH2+]C2CC3(C2)CCN(C(=O)OC(C)(C)C)CC3)CC1 ZINC000924962669 759423310 /nfs/dbraw/zinc/42/33/10/759423310.db2.gz FTJHIJGKWYXIFL-UHFFFAOYSA-N 2 0 351.535 3.098 20 0 FGADRP CON1CCC([NH2+]CC2CC[NH+](Cc3ccccc3Cl)CC2)CC1 ZINC000924993994 759428417 /nfs/dbraw/zinc/42/84/17/759428417.db2.gz QZIRZPQHPWGSCF-UHFFFAOYSA-N 2 0 351.922 3.167 20 0 FGADRP C[NH+]1CCC(O)(C[NH2+][C@H](Cc2cccc(F)c2Cl)c2ccco2)CC1 ZINC000925118259 759449966 /nfs/dbraw/zinc/44/99/66/759449966.db2.gz RYLKCMVXLGNBPO-MRXNPFEDSA-N 2 0 366.864 3.402 20 0 FGADRP C[C@@H]([NH3+])[C@H](NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1)c1ccccc1 ZINC000925660762 759520011 /nfs/dbraw/zinc/52/00/11/759520011.db2.gz ANKXQHUYXBNWAK-BQPQTXTPSA-N 2 0 355.448 3.470 20 0 FGADRP COCCC[C@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1C)c1ccc(Br)cc1 ZINC000925788734 759539736 /nfs/dbraw/zinc/53/97/36/759539736.db2.gz BUNVVDAMXLBDNY-KMFMINBZSA-N 2 0 355.320 3.362 20 0 FGADRP CCc1nc(C)c([C@H](C)[NH2+]Cc2ccc(CN3CC[NH2+]CC3)cc2)s1 ZINC000925807263 759546233 /nfs/dbraw/zinc/54/62/33/759546233.db2.gz DVAZEMPVQMXMAJ-HNNXBMFYSA-N 2 0 358.555 3.270 20 0 FGADRP [NH3+]C1CCN(CC[NH2+][C@@H]2CCC[C@@H]2c2ccc(C(F)(F)F)cc2)CC1 ZINC000925815954 759549359 /nfs/dbraw/zinc/54/93/59/759549359.db2.gz UZBDZZXJFKBFSW-QZTJIDSGSA-N 2 0 355.448 3.354 20 0 FGADRP Cc1c(Br)cccc1CC[NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000925831327 759553907 /nfs/dbraw/zinc/55/39/07/759553907.db2.gz DEGRJLMUSPNYLG-KBAYOESNSA-N 2 0 367.331 3.047 20 0 FGADRP COc1cc(Br)cc(C[NH2+][C@@H](C)c2ccc(C[NH3+])nc2C)c1 ZINC000925832990 759554064 /nfs/dbraw/zinc/55/40/64/759554064.db2.gz YIACBYYCHQPWRZ-NSHDSACASA-N 2 0 364.287 3.471 20 0 FGADRP C[C@H](c1ccc(Cl)cc1)[C@H](C)[NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925849431 759557132 /nfs/dbraw/zinc/55/71/32/759557132.db2.gz JFCCXDYREZVADW-GRDNDAEWSA-N 2 0 350.890 3.107 20 0 FGADRP O=C1O[C@H](C[NH2+][C@@H]2CCc3cc(Cl)cc(Cl)c32)CC12CC[NH2+]CC2 ZINC000925849938 759557395 /nfs/dbraw/zinc/55/73/95/759557395.db2.gz GCCCBFQKHWUJNZ-DZGCQCFKSA-N 2 0 369.292 3.256 20 0 FGADRP O=C1O[C@H](C[NH2+][C@@H]2CCC[C@@H]2c2ccccc2Cl)CC12CC[NH2+]CC2 ZINC000925848708 759557417 /nfs/dbraw/zinc/55/74/17/759557417.db2.gz DEFJSFZEQDJARX-YXJHDRRASA-N 2 0 362.901 3.251 20 0 FGADRP Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925853063 759559578 /nfs/dbraw/zinc/55/95/78/759559578.db2.gz JFQXVMWLSJAEDR-JSGCOSHPSA-N 2 0 365.543 3.085 20 0 FGADRP O=C1O[C@H](C[NH2+][C@@H]2CCc3c2ccc(Cl)c3Cl)CC12CC[NH2+]CC2 ZINC000925857001 759561574 /nfs/dbraw/zinc/56/15/74/759561574.db2.gz YQXBLCUYXLWZHA-XHDPSFHLSA-N 2 0 369.292 3.256 20 0 FGADRP COC/C(C)=C/C[NH+]1CCCC2(CCC[N@@H+](C/C=C(\C)COC)C2)C1 ZINC000930512529 760629713 /nfs/dbraw/zinc/62/97/13/760629713.db2.gz UUFDYGHIYKCZEP-OKXCLTPOSA-N 2 0 350.547 3.350 20 0 FGADRP Cc1cc(-n2ccnc2)ccc1C[NH+]1CCC(CO)(C(F)(F)F)CC1 ZINC000932829085 761256644 /nfs/dbraw/zinc/25/66/44/761256644.db2.gz ZULHMVJTNDGHDC-UHFFFAOYSA-N 2 0 353.388 3.318 20 0 FGADRP Cc1cc(C[NH+]2CCC([C@H](C)NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)cs1 ZINC000997597356 765069260 /nfs/dbraw/zinc/06/92/60/765069260.db2.gz SVTXAKOEBDEHFF-FRQCXROJSA-N 2 0 363.571 3.113 20 0 FGADRP C[C@@H]1[C@H](C(=O)N2CCC(C[NH2+]Cc3ccc(Cl)cc3)CC2)CC[N@@H+]1C ZINC000997787384 765082941 /nfs/dbraw/zinc/08/29/41/765082941.db2.gz YMDVVSZAUJNPNJ-DNVCBOLYSA-N 2 0 363.933 3.008 20 0 FGADRP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3cc(Cl)cc(Cl)c3)C2)CC[N@@H+]1C ZINC001020172252 765866370 /nfs/dbraw/zinc/86/63/70/765866370.db2.gz SQIPXCHAUAASAH-GAEVZRCVSA-N 2 0 370.324 3.070 20 0 FGADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+][C@H](C)c3cccc(Cl)c3)C2)CC[N@@H+]1C ZINC001022106459 765973995 /nfs/dbraw/zinc/97/39/95/765973995.db2.gz JBSMYDPIRBHVRG-RBPQIDMKSA-N 2 0 363.933 3.368 20 0 FGADRP CC[C@@H]1[C@@H](C(=O)N2CC[C@H](C[NH2+]Cc3sccc3Cl)C2)CC[N@@H+]1C ZINC001026854430 766082445 /nfs/dbraw/zinc/08/24/45/766082445.db2.gz BHSUJYNISBOFTH-IJEWVQPXSA-N 2 0 369.962 3.070 20 0 FGADRP Cc1ccc(C[NH+]2CCC[C@H]2CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c(Cl)c1 ZINC001027893774 766104792 /nfs/dbraw/zinc/10/47/92/766104792.db2.gz GADKHSFDWGYXGS-BPQIPLTHSA-N 2 0 363.933 3.069 20 0 FGADRP CC[C@@H]1[C@@H](C(=O)N2CCC([C@H](C)[NH2+]Cc3ccsc3)CC2)CC[N@@H+]1C ZINC001029101925 766141317 /nfs/dbraw/zinc/14/13/17/766141317.db2.gz QZCUNMMMLKSQCS-ZYSHUDEJSA-N 2 0 363.571 3.195 20 0 FGADRP CC[C@@H]1[C@@H](C(=O)N2CCCC[C@@]3(CC[NH+](C/C=C/Cl)C3)C2)CC[N@@H+]1C ZINC001045938714 766576707 /nfs/dbraw/zinc/57/67/07/766576707.db2.gz JQTFVIDJORBHCA-BGXWEFHNSA-N 2 0 367.965 3.174 20 0 FGADRP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000130680010 206125361 /nfs/dbraw/zinc/12/53/61/206125361.db2.gz VHJVABZNTCLLOH-DHZHZOJOSA-N 2 0 357.542 3.116 20 0 FGADRP C/C(=C/c1cccc(C(F)(F)F)c1)C[NH2+][C@H](C)CN1CC[NH+](C)CC1 ZINC000573594450 505574248 /nfs/dbraw/zinc/57/42/48/505574248.db2.gz DBKWOYQIWSXKDJ-UVQBRAAOSA-N 2 0 355.448 3.334 20 0 FGADRP [NH3+][C@@H]1CCC[C@H]([NH2+]C2CCN(Cc3coc(-c4ccccc4)n3)CC2)C1 ZINC000570867311 505599102 /nfs/dbraw/zinc/59/91/02/505599102.db2.gz QURDMYRZGQRZEJ-MJGOQNOKSA-N 2 0 354.498 3.166 20 0 FGADRP COc1ncccc1CC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000573734545 505606856 /nfs/dbraw/zinc/60/68/56/505606856.db2.gz ZFJPUNWMVYMQJF-MZADTFQBSA-N 2 0 351.494 3.418 20 0 FGADRP COc1ccc(NC(=O)[C@H](c2ccccc2)[NH+]2CCC([C@H](C)[NH3+])CC2)cc1 ZINC000570928474 505613975 /nfs/dbraw/zinc/61/39/75/505613975.db2.gz FYZHUYYNHNSWJE-KKSFZXQISA-N 2 0 367.493 3.434 20 0 FGADRP [NH3+]Cc1ccc(NC(=O)N2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)cc1 ZINC000571056420 505643473 /nfs/dbraw/zinc/64/34/73/505643473.db2.gz QYKQYUGNSBBRIK-QFIPXVFZSA-N 2 0 364.493 3.275 20 0 FGADRP C[C@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2)[C@H]1CCCOC1 ZINC000568302478 505661859 /nfs/dbraw/zinc/66/18/59/505661859.db2.gz CGMOETLUKVLWEA-BVSLBCMMSA-N 2 0 372.553 3.320 20 0 FGADRP [NH3+][C@@H]1CCO[C@@H](C2CC[NH+](Cc3cccc(-c4cccnc4)c3)CC2)C1 ZINC000574021364 505675674 /nfs/dbraw/zinc/67/56/74/505675674.db2.gz IOTJLYXDUCZVOM-FGZHOGPDSA-N 2 0 351.494 3.467 20 0 FGADRP C[C@H]([NH2+]C1(CNC(=O)N(C)C2CC[NH2+]CC2)CCCC1)c1ccccc1 ZINC000574024182 505676019 /nfs/dbraw/zinc/67/60/19/505676019.db2.gz IGARBNAQAFNWJE-KRWDZBQOSA-N 2 0 358.530 3.043 20 0 FGADRP C[N@@H+](CCC(=O)NCc1ccccc1Cl)CC[C@H]1CCCC[NH+]1C ZINC000075860780 493787476 /nfs/dbraw/zinc/78/74/76/493787476.db2.gz QABLTVJYJHOEFR-QGZVFWFLSA-N 2 0 351.922 3.153 20 0 FGADRP CC(=O)c1ccc(OC[C@H](O)C[NH2+]C2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000568382081 505681022 /nfs/dbraw/zinc/68/10/22/505681022.db2.gz NLAFXKDFOZLYCE-OAQYLSRUSA-N 2 0 374.525 3.016 20 0 FGADRP C[N@@H+](Cc1ccccc1)CC1CC[NH+]([C@H](C(N)=O)c2ccccc2)CC1 ZINC000057844062 493806902 /nfs/dbraw/zinc/80/69/02/493806902.db2.gz SRYVURVGZQMFQD-NRFANRHFSA-N 2 0 351.494 3.057 20 0 FGADRP C[N@@H+](Cc1ccccc1)CC1CC[NH+](Cc2cccc(C(N)=O)c2)CC1 ZINC000057844270 493807268 /nfs/dbraw/zinc/80/72/68/493807268.db2.gz OCQPJOOSWJWTOR-UHFFFAOYSA-N 2 0 351.494 3.130 20 0 FGADRP CC[NH+](CC)CC1CC[NH+](CC(=O)NCc2ccc(Cl)cc2)CC1 ZINC000057847020 493808356 /nfs/dbraw/zinc/80/83/56/493808356.db2.gz DQTYVIBFZGYSGO-UHFFFAOYSA-N 2 0 351.922 3.010 20 0 FGADRP Ic1ccc(C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000568395132 505684453 /nfs/dbraw/zinc/68/44/53/505684453.db2.gz STUTUPYQFOCGGY-HUUCEWRRSA-N 2 0 370.278 3.113 20 0 FGADRP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+]1CCC[C@@H](C)CC1 ZINC000068829386 493880201 /nfs/dbraw/zinc/88/02/01/493880201.db2.gz DZQDSBJCOZESET-MOPGFXCFSA-N 2 0 357.542 3.278 20 0 FGADRP C[NH+]1CCN(C[C@H]([NH2+]CC2=Cc3ccccc3OC2)c2ccccc2)CC1 ZINC000069170969 493932578 /nfs/dbraw/zinc/93/25/78/493932578.db2.gz MXCBWPLZGGTIIQ-QFIPXVFZSA-N 2 0 363.505 3.041 20 0 FGADRP CC(C)[NH+](CCNC(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1)C(C)C ZINC000060955063 493960463 /nfs/dbraw/zinc/96/04/63/493960463.db2.gz ZJCJXWUQWQZXON-HXUWFJFHSA-N 2 0 360.546 3.242 20 0 FGADRP CC(C)[C@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1nnc2ccccn21 ZINC000577265879 505697883 /nfs/dbraw/zinc/69/78/83/505697883.db2.gz CPJGSFDNEDGMBI-IBGZPJMESA-N 2 0 350.470 3.080 20 0 FGADRP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)c1ccccc1OCC[NH+](C)C ZINC000063757927 494084383 /nfs/dbraw/zinc/08/43/83/494084383.db2.gz ZYUQFOVOKVVZBD-SFHVURJKSA-N 2 0 361.530 3.011 20 0 FGADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)C1 ZINC000085359792 494116894 /nfs/dbraw/zinc/11/68/94/494116894.db2.gz ZVUZTYTZIHPETR-AOIWGVFYSA-N 2 0 360.546 3.097 20 0 FGADRP CC[NH+](CC)Cc1ccccc1CNC(=O)NC[C@H]1CC[N@@H+](C(C)C)C1 ZINC000065441853 494197516 /nfs/dbraw/zinc/19/75/16/494197516.db2.gz UTGHCDDEDUVMTJ-GOSISDBHSA-N 2 0 360.546 3.058 20 0 FGADRP CC[NH+](CC)Cc1ccc(CNC(=O)NC[C@H](C)[NH+]2CCC(C)CC2)cc1 ZINC000065477745 494202486 /nfs/dbraw/zinc/20/24/86/494202486.db2.gz PMRGZCUMWSFMIT-IBGZPJMESA-N 2 0 374.573 3.448 20 0 FGADRP C[NH+](C)CCN(Cc1ccco1)C(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000088348656 494228820 /nfs/dbraw/zinc/22/88/20/494228820.db2.gz BXUXSWOEOVROLE-UHFFFAOYSA-N 2 0 355.482 3.079 20 0 FGADRP O=C(NCCC[NH2+]C1CCCCC1)NCc1ccccc1C[NH+]1CCCC1 ZINC000043036837 494259384 /nfs/dbraw/zinc/25/93/84/494259384.db2.gz JPBBRSXDZVUMDN-UHFFFAOYSA-N 2 0 372.557 3.394 20 0 FGADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)C1 ZINC000054718910 494264932 /nfs/dbraw/zinc/26/49/32/494264932.db2.gz VJXQHLGFUMWHPI-WMZOPIPTSA-N 2 0 372.557 3.430 20 0 FGADRP CC(C)[C@@H](CNC(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1)[NH+]1CCCCCC1 ZINC000078524438 494313371 /nfs/dbraw/zinc/31/33/71/494313371.db2.gz RLEMMDVULOKAFP-WOJBJXKFSA-N 2 0 366.594 3.307 20 0 FGADRP [NH3+]C1(C[NH2+][C@H]2CCCC[C@H](N3C(=O)c4ccccc4C3=O)C2)CCCCC1 ZINC000574188615 505715121 /nfs/dbraw/zinc/71/51/21/505715121.db2.gz RTUUKMIFTTXROM-IRXDYDNUSA-N 2 0 369.509 3.235 20 0 FGADRP CC(C)[NH+]1CCC(C(=O)N2CCC(C[N@H+](C)Cc3ccccc3)CC2)CC1 ZINC000073306656 494354637 /nfs/dbraw/zinc/35/46/37/494354637.db2.gz JAERFKHHWGZKBK-UHFFFAOYSA-N 2 0 371.569 3.477 20 0 FGADRP CC[C@@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)c1ccc(OC)cc1 ZINC000090038596 494431503 /nfs/dbraw/zinc/43/15/03/494431503.db2.gz OYSCXGAOZGCDSF-OAQYLSRUSA-N 2 0 369.509 3.228 20 0 FGADRP CC(C)[NH+]1CCC(C(=O)Nc2ccc3ccn(CC[NH+](C)C)c3c2)CC1 ZINC000073880240 494442200 /nfs/dbraw/zinc/44/22/00/494442200.db2.gz JAKGIBIETXJPHP-UHFFFAOYSA-N 2 0 356.514 3.262 20 0 FGADRP CC1CC[NH+](CCCCNC(=O)NCc2cccc(C[NH+](C)C)c2)CC1 ZINC000079389641 494444754 /nfs/dbraw/zinc/44/47/54/494444754.db2.gz QDQUYVWCGNCKEN-UHFFFAOYSA-N 2 0 360.546 3.060 20 0 FGADRP CCCC[N@H+](C)CC1CC[NH+]([C@@H](C)C(=O)NCCc2ccccc2)CC1 ZINC000066960861 494445749 /nfs/dbraw/zinc/44/57/49/494445749.db2.gz UFGAPUVFJTUKEZ-IBGZPJMESA-N 2 0 359.558 3.178 20 0 FGADRP C[NH+](C)CCN(Cc1ccccc1)C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000079451704 494457272 /nfs/dbraw/zinc/45/72/72/494457272.db2.gz OQOYEAMJYLPYQU-UHFFFAOYSA-N 2 0 368.525 3.022 20 0 FGADRP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(OCc3nccn3C)cc2)[C@H](C)C1 ZINC000079461528 494459246 /nfs/dbraw/zinc/45/92/46/494459246.db2.gz FSGHMMXAXAEYNH-XLIONFOSSA-N 2 0 356.514 3.161 20 0 FGADRP C[C@H]([NH2+]CCOc1ccc(Cl)cn1)c1ccc(OCC[NH+](C)C)cc1 ZINC000090409423 494463418 /nfs/dbraw/zinc/46/34/18/494463418.db2.gz PWNTZNUNLABMMF-HNNXBMFYSA-N 2 0 363.889 3.405 20 0 FGADRP CC(C)[NH+]1CCC(C(=O)N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000074189398 494494483 /nfs/dbraw/zinc/49/44/83/494494483.db2.gz LNMKOBMSBRHESU-HXUWFJFHSA-N 2 0 357.542 3.087 20 0 FGADRP C[NH+](C)Cc1cccc(NC(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)c1 ZINC000056600973 494533702 /nfs/dbraw/zinc/53/37/02/494533702.db2.gz GOBBONPAVSDDKS-HXUWFJFHSA-N 2 0 354.498 3.043 20 0 FGADRP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)c1nc2ccc(Cl)cc2n1C ZINC000091336507 494586205 /nfs/dbraw/zinc/58/62/05/494586205.db2.gz BACAGMKTPCRLNG-GOEBONIOSA-N 2 0 364.921 3.114 20 0 FGADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H](C)c1nc2ccc(Cl)cc2n1C ZINC000091369042 494587219 /nfs/dbraw/zinc/58/72/19/494587219.db2.gz MOWYDJDRMJAVGU-ZFWWWQNUSA-N 2 0 352.910 3.234 20 0 FGADRP C[NH+](C)C1CCN(CC[NH2+][C@H]2CCc3c2cccc3Br)CC1 ZINC000091367540 494588660 /nfs/dbraw/zinc/58/86/60/494588660.db2.gz BXGGHBAJUDBBQQ-SFHVURJKSA-N 2 0 366.347 3.052 20 0 FGADRP CC(C)CC[NH+]1CCC(CNC(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC000080117556 494601947 /nfs/dbraw/zinc/60/19/47/494601947.db2.gz YQGXVUPTBSRUKO-FQEVSTJZSA-N 2 0 366.594 3.164 20 0 FGADRP CC(C)CC[NH+]1CCC(CNC(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC000080117561 494603182 /nfs/dbraw/zinc/60/31/82/494603182.db2.gz YQGXVUPTBSRUKO-HXUWFJFHSA-N 2 0 366.594 3.164 20 0 FGADRP CC(C)[NH+](CCCNC(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1)C(C)C ZINC000074804144 494605215 /nfs/dbraw/zinc/60/52/15/494605215.db2.gz IOCBDNQGMMGVFZ-SFHVURJKSA-N 2 0 364.534 3.225 20 0 FGADRP CC(C)[NH2+]C1CCN(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000080166876 494622528 /nfs/dbraw/zinc/62/25/28/494622528.db2.gz HNGNQYSISDRFTB-WIYYLYMNSA-N 2 0 372.557 3.212 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)NC1CC[NH+](CC(C)C)CC1)CC(C)C ZINC000107939296 494624467 /nfs/dbraw/zinc/62/44/67/494624467.db2.gz IUDKWHUOYDNXRN-LJQANCHMSA-N 2 0 354.583 3.163 20 0 FGADRP C[C@@H](CNC(=O)NCc1ccccc1C[NH+]1CCCC1)C[NH+]1CCCCC1 ZINC000057042622 494627650 /nfs/dbraw/zinc/62/76/50/494627650.db2.gz CUCFUPDNJLDAAB-IBGZPJMESA-N 2 0 372.557 3.204 20 0 FGADRP C[C@@H]([NH2+]CCCN1CC[N@H+](C)C[C@@H]1c1ccccc1)c1cccc(CO)c1 ZINC000121177848 494633851 /nfs/dbraw/zinc/63/38/51/494633851.db2.gz MBLYMNSVTXMTRA-AUSIDOKSSA-N 2 0 367.537 3.208 20 0 FGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@@H](C)c2ccccc2OC(F)F)CC1 ZINC000121218743 494652914 /nfs/dbraw/zinc/65/29/14/494652914.db2.gz MBHMNCVURAIKCZ-HOTGVXAUSA-N 2 0 355.473 3.212 20 0 FGADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)Cc1cccc2ccccc21 ZINC000057157296 494659107 /nfs/dbraw/zinc/65/91/07/494659107.db2.gz IWQFIMYTLDFMMM-UHFFFAOYSA-N 2 0 355.526 3.114 20 0 FGADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccncc1 ZINC000126165338 494659565 /nfs/dbraw/zinc/65/95/65/494659565.db2.gz OZLDLTXMDSRWNF-UTKZUKDTSA-N 2 0 361.493 3.364 20 0 FGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@H](C)c2ccc(-n3ccnc3C)cc2)CC1 ZINC000121249818 494666232 /nfs/dbraw/zinc/66/62/32/494666232.db2.gz NXNCDFRBSGYHJW-RBUKOAKNSA-N 2 0 369.557 3.105 20 0 FGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@@H](C)c2ccc(-n3ccnc3C)cc2)CC1 ZINC000121249539 494666599 /nfs/dbraw/zinc/66/65/99/494666599.db2.gz NXNCDFRBSGYHJW-OALUTQOASA-N 2 0 369.557 3.105 20 0 FGADRP Cn1cnnc1C1CC[NH+](CC(C)(C)C[N@H+](C)Cc2ccccc2)CC1 ZINC000091795299 494685284 /nfs/dbraw/zinc/68/52/84/494685284.db2.gz HGXJHKCZEGMXKJ-UHFFFAOYSA-N 2 0 355.530 3.153 20 0 FGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H](C)c2ccc(SC)c(OC)c2)CC1 ZINC000121319355 494700142 /nfs/dbraw/zinc/70/01/42/494700142.db2.gz XPWCEEVHSJDJBT-IAGOWNOFSA-N 2 0 365.587 3.341 20 0 FGADRP C[C@@H]1CCC[N@H+](CCNC(=O)N2CCC[NH+](CC3CCCCC3)CC2)C1 ZINC000108410319 494701666 /nfs/dbraw/zinc/70/16/66/494701666.db2.gz DBDJYVIIMXLCLK-LJQANCHMSA-N 2 0 364.578 3.016 20 0 FGADRP C[C@H](CN(C)Cc1ccccc1)[NH2+][C@@H](C)Cn1cc(Br)cn1 ZINC000126323223 494709819 /nfs/dbraw/zinc/70/98/19/494709819.db2.gz AYODCJVQFHCWAU-CABCVRRESA-N 2 0 365.319 3.144 20 0 FGADRP c1cnn(Cc2cccc(C[NH2+][C@@H]3C[C@]4(CC[NH2+]C4)Oc4ccccc43)c2)c1 ZINC000568617129 505738023 /nfs/dbraw/zinc/73/80/23/505738023.db2.gz JOJHQRSLMFISNX-GGAORHGYSA-N 2 0 374.488 3.277 20 0 FGADRP C[C@@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+]CC1CC[NH+](C)CC1 ZINC000126370588 494728842 /nfs/dbraw/zinc/72/88/42/494728842.db2.gz SZPZTVAIQHWMRK-ZDUSSCGKSA-N 2 0 373.419 3.234 20 0 FGADRP CN(CC[N@H+](C)CCCOc1cccc(Cl)c1)C1CC[NH+](C)CC1 ZINC000126398483 494737262 /nfs/dbraw/zinc/73/72/62/494737262.db2.gz FCDJTMLVNNWOGH-UHFFFAOYSA-N 2 0 353.938 3.067 20 0 FGADRP FC(F)(F)COc1ccc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)cn1 ZINC000121399199 494738570 /nfs/dbraw/zinc/73/85/70/494738570.db2.gz YWZKRSZCQFZTCF-UHFFFAOYSA-N 2 0 357.420 3.331 20 0 FGADRP C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)C[C@@H](O)COc1ccccc1 ZINC000092821312 494763047 /nfs/dbraw/zinc/76/30/47/494763047.db2.gz RFTFVGZTOVCCSU-OAQYLSRUSA-N 2 0 369.509 3.060 20 0 FGADRP C[NH+](C)CC[C@@H](NC(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1)C(C)(C)C ZINC000116413010 494777115 /nfs/dbraw/zinc/77/71/15/494777115.db2.gz ULLGACXVLLKCKV-FUHWJXTLSA-N 2 0 364.534 3.082 20 0 FGADRP CCC[NH+]1CCN(c2ccccc2C[N@@H+]2CCC[C@@H](c3ncc[nH]3)C2)CC1 ZINC000092072477 494777782 /nfs/dbraw/zinc/77/77/82/494777782.db2.gz QCUQSVBPSZSKPZ-HXUWFJFHSA-N 2 0 367.541 3.321 20 0 FGADRP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3cnc(-c4ccsc4)s3)C2)CC1 ZINC000093132990 494831105 /nfs/dbraw/zinc/83/11/05/494831105.db2.gz CRWBVVVWJSNQOQ-MRXNPFEDSA-N 2 0 362.568 3.083 20 0 FGADRP COc1cccc([C@@H]2CCCN2C(=O)C[NH+]2CCC(CC[NH+](C)C)CC2)c1 ZINC000121668296 494834512 /nfs/dbraw/zinc/83/45/12/494834512.db2.gz OPLVOJDVVAGZOU-NRFANRHFSA-N 2 0 373.541 3.022 20 0 FGADRP CC(C)[C@H](C[NH2+][C@H](C)c1ccccc1OC(F)F)N1CC[NH+](C)CC1 ZINC000132337735 494858942 /nfs/dbraw/zinc/85/89/42/494858942.db2.gz NGHDXWCAKSFIGQ-WBVHZDCISA-N 2 0 355.473 3.211 20 0 FGADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H]2CCCOc3c(C)cc(Cl)cc32)CC1 ZINC000121917006 494889754 /nfs/dbraw/zinc/88/97/54/494889754.db2.gz VKAAKHFKXCJRPY-QFBILLFUSA-N 2 0 365.949 3.478 20 0 FGADRP C[C@H]1C[C@H]([N@H+](C)Cc2ccccc2N(C)C2CC[NH+](C)CC2)CCN1C ZINC000093644490 494907316 /nfs/dbraw/zinc/90/73/16/494907316.db2.gz HJWOZGZJQIPPEC-GHTZIAJQSA-N 2 0 358.574 3.132 20 0 FGADRP CCN(CC)c1ncc(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)s1 ZINC000093734894 494915163 /nfs/dbraw/zinc/91/51/63/494915163.db2.gz PPMXQZLJQKQYPF-UHFFFAOYSA-N 2 0 366.575 3.066 20 0 FGADRP Cc1cc(F)ccc1N1CCC[C@@H]([NH+]2CCC(CC[NH+](C)C)CC2)C1=O ZINC000117431113 494918484 /nfs/dbraw/zinc/91/84/84/494918484.db2.gz CCAJHOFPSRRMGE-HXUWFJFHSA-N 2 0 361.505 3.293 20 0 FGADRP CCO[C@@H](C)c1noc(CN2CCC(CCC[NH+]3CCCC3)CC2)n1 ZINC000122098240 494922873 /nfs/dbraw/zinc/92/28/73/494922873.db2.gz KHOOVNKXDRRYER-INIZCTEOSA-N 2 0 350.507 3.255 20 0 FGADRP C[C@@H]1C[NH+](CCC2CC[NH+](Cc3cnn(C(C)(C)C)c3)CC2)C[C@@H](C)O1 ZINC000093844474 494927018 /nfs/dbraw/zinc/92/70/18/494927018.db2.gz JCISQVUVTUZFMZ-QZTJIDSGSA-N 2 0 362.562 3.349 20 0 FGADRP C[C@@H](CS(=O)(=O)c1ccccc1)[NH2+]CCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000122137769 494930268 /nfs/dbraw/zinc/93/02/68/494930268.db2.gz WPFIXUADUBZION-OTWHNJEPSA-N 2 0 366.571 3.197 20 0 FGADRP CC[C@H](CNCc1ccccc1N(C)C1CC[NH+](C)CC1)[NH+]1CCCC1 ZINC000132941520 494946054 /nfs/dbraw/zinc/94/60/54/494946054.db2.gz NQANUHUTJYEHEI-HXUWFJFHSA-N 2 0 358.574 3.181 20 0 FGADRP CC(C)c1ccc2c(c1)[C@@H]([NH2+]CCCC[NH+]1CCN(CCO)CC1)CCC2 ZINC000127446130 494946130 /nfs/dbraw/zinc/94/61/30/494946130.db2.gz WYBALYPANAAPPB-QHCPKHFHSA-N 2 0 373.585 3.167 20 0 FGADRP CC[C@@H](C(=O)NCCCC[NH+]1CCC(Cc2ccccc2)CC1)[NH+](C)C ZINC000122321995 494957441 /nfs/dbraw/zinc/95/74/41/494957441.db2.gz FJTWODIYBCDYMF-NRFANRHFSA-N 2 0 359.558 3.178 20 0 FGADRP CC[C@H](C(=O)NCCCC[NH+]1CCC(Cc2ccccc2)CC1)[NH+](C)C ZINC000122322224 494958004 /nfs/dbraw/zinc/95/80/04/494958004.db2.gz FJTWODIYBCDYMF-OAQYLSRUSA-N 2 0 359.558 3.178 20 0 FGADRP CN(c1ccccc1C[NH2+]CCCC[NH+]1CCCC1)C1CC[NH+](C)CC1 ZINC000133037119 494959038 /nfs/dbraw/zinc/95/90/38/494959038.db2.gz CRUZUYARGSDFFP-UHFFFAOYSA-N 3 0 358.574 3.183 20 0 FGADRP CC[N@H+](C)Cc1cccc(C[NH2+][C@H](C)CS(=O)(=O)c2ccccc2)c1 ZINC000122347081 494961226 /nfs/dbraw/zinc/96/12/26/494961226.db2.gz NIXKAKFRHOGFKE-QGZVFWFLSA-N 2 0 360.523 3.090 20 0 FGADRP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+][C@@H]2CCOC(C)(C)C2)CC1 ZINC000133174328 494979745 /nfs/dbraw/zinc/97/97/45/494979745.db2.gz LOOCMNTTWKGFMB-OAHLLOKOSA-N 2 0 351.922 3.139 20 0 FGADRP CC(C)[NH+]1CCN(c2cccc(NC(=O)[C@@](C)([NH3+])c3ccccc3)c2)CC1 ZINC000571523001 505754178 /nfs/dbraw/zinc/75/41/78/505754178.db2.gz GBWFNWMFTXOTTB-QFIPXVFZSA-N 2 0 366.509 3.030 20 0 FGADRP CC(C)[NH+]1CCC(NC(=O)N2CCC(CCC[NH+]3CCCC3)CC2)CC1 ZINC000133333466 495002276 /nfs/dbraw/zinc/00/22/76/495002276.db2.gz GGHPUKLMMDPNIG-UHFFFAOYSA-N 2 0 364.578 3.157 20 0 FGADRP CC(C)CC[NH+]1CCC(CNC(=O)NC[C@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC000133782952 495061528 /nfs/dbraw/zinc/06/15/28/495061528.db2.gz PXLGDIDHVALLKJ-HXUWFJFHSA-N 2 0 366.594 3.022 20 0 FGADRP CCCC[NH+]1CCC(NC(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000128352920 495084184 /nfs/dbraw/zinc/08/41/84/495084184.db2.gz UOAZEHUSGBNUNI-GHTZIAJQSA-N 2 0 372.557 3.071 20 0 FGADRP C[C@@H](CNC(=O)NCCCCC[NH+]1CCCCC1)C[NH+]1CCCCC1 ZINC000111834987 495117822 /nfs/dbraw/zinc/11/78/22/495117822.db2.gz SMFSMQREDXDXIO-IBGZPJMESA-N 2 0 352.567 3.064 20 0 FGADRP COc1cc(OC)c([C@@H](C)[NH2+]CCCN2CCC[N@H+](C)CC2)cc1Cl ZINC000128579877 495119232 /nfs/dbraw/zinc/11/92/32/495119232.db2.gz BILZMDVYUGJISQ-OAHLLOKOSA-N 2 0 369.937 3.035 20 0 FGADRP C[C@H](CNC(=O)[C@H](C)[NH+]1CCC(CCC[NH+](C)C)CC1)c1ccccc1 ZINC000123548085 495150016 /nfs/dbraw/zinc/15/00/16/495150016.db2.gz YFLAHJTUXXJIDK-MOPGFXCFSA-N 2 0 359.558 3.349 20 0 FGADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+]Cc1cccc(OCc2ccc(F)cc2)c1 ZINC000119400062 495159155 /nfs/dbraw/zinc/15/91/55/495159155.db2.gz WHVZSWOWSPSBIR-SFHVURJKSA-N 2 0 371.500 3.130 20 0 FGADRP Cn1cc(CN[C@@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)c(C(F)(F)F)n1 ZINC000574403455 505765336 /nfs/dbraw/zinc/76/53/36/505765336.db2.gz CLCYUTXJDUMJAZ-HZPDHXFCSA-N 2 0 352.404 3.364 20 0 FGADRP C[C@H](CCc1ccc(F)cc1F)[NH2+]Cc1cccnc1N1CC[NH+](C)CC1 ZINC000571588608 505767156 /nfs/dbraw/zinc/76/71/56/505767156.db2.gz NITYNVQGQYYZIC-MRXNPFEDSA-N 2 0 374.479 3.223 20 0 FGADRP CC[NH+](CC)CCCNC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000103297078 495215379 /nfs/dbraw/zinc/21/53/79/495215379.db2.gz KCSZBGPURBEUNV-LJQANCHMSA-N 2 0 352.567 3.016 20 0 FGADRP CCN(Cc1ccccc1)C(=O)[C@H](C)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134896220 495217351 /nfs/dbraw/zinc/21/73/51/495217351.db2.gz OHEWOMSQVOCPRP-CZTZKLFOSA-N 2 0 369.553 3.372 20 0 FGADRP C[C@@H](CNC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1)C[NH+]1CCCC1 ZINC000103308137 495217639 /nfs/dbraw/zinc/21/76/39/495217639.db2.gz JRXJFOAMSDLTLJ-PMACEKPBSA-N 2 0 364.578 3.016 20 0 FGADRP CC[C@@H](C)[N@H+](C)CCNC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000103314375 495218238 /nfs/dbraw/zinc/21/82/38/495218238.db2.gz JQVGMWZEYOXJAM-RTBURBONSA-N 2 0 352.567 3.014 20 0 FGADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NCCC1CC[NH+](C)CC1 ZINC000103320876 495220169 /nfs/dbraw/zinc/22/01/69/495220169.db2.gz UJWXDJMJPMKHAR-UHFFFAOYSA-N 2 0 360.546 3.012 20 0 FGADRP C[NH+](C)Cc1ccc(C(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)cc1 ZINC000119759712 495234801 /nfs/dbraw/zinc/23/48/01/495234801.db2.gz YTNHMDCHKNUOHG-GOSISDBHSA-N 2 0 371.550 3.452 20 0 FGADRP C[C@H](CCNC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1)[NH+](C)Cc1ccccc1 ZINC000119782345 495240048 /nfs/dbraw/zinc/24/00/48/495240048.db2.gz YDNIJMUQNDPPPX-NRSPTQNISA-N 2 0 372.557 3.023 20 0 FGADRP C[C@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)c1ccccc1OC(F)F ZINC000124404218 495281573 /nfs/dbraw/zinc/28/15/73/495281573.db2.gz AAORSAMZTCCMEV-HNNXBMFYSA-N 2 0 355.473 3.212 20 0 FGADRP CC(C)[N@@H+](C)C[C@H](C)NC(=O)N1CCC(C[NH+](C)Cc2ccccc2)CC1 ZINC000577671251 505772373 /nfs/dbraw/zinc/77/23/73/505772373.db2.gz XRCRELDYWUGAHR-IBGZPJMESA-N 2 0 374.573 3.269 20 0 FGADRP CCC[N@@H+]1CC[C@H](CNC(=O)N(C)C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000113552747 495313664 /nfs/dbraw/zinc/31/36/64/495313664.db2.gz GYOHWGRQFIBPCF-HXUWFJFHSA-N 2 0 372.557 3.024 20 0 FGADRP C[NH+](C)C[C@@H]1CCN(C(=O)NCc2ccccc2C[NH+]2CCCCCC2)C1 ZINC000129987772 495324770 /nfs/dbraw/zinc/32/47/70/495324770.db2.gz HNPRJGOKFFRZNL-IBGZPJMESA-N 2 0 372.557 3.156 20 0 FGADRP CC(C)c1ccc(/C=C/CC(=O)NCCN2CCC([NH+](C)C)CC2)cc1 ZINC000120726028 495444440 /nfs/dbraw/zinc/44/44/40/495444440.db2.gz QOIOPINGZNWFKM-AATRIKPKSA-N 2 0 357.542 3.356 20 0 FGADRP O=C(N[C@H](C[NH+]1CCCC1)c1ccccc1)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000106530844 495463741 /nfs/dbraw/zinc/46/37/41/495463741.db2.gz RZUMEAINVLIESG-PZJWPPBQSA-N 2 0 370.541 3.140 20 0 FGADRP CCOc1ccc(Cl)cc1[C@H](C)[NH2+]C[C@H](C)CN1CC[NH+](C)CC1 ZINC000120885362 495477810 /nfs/dbraw/zinc/47/78/10/495477810.db2.gz ADTLCBJDSMGGCD-HOTGVXAUSA-N 2 0 353.938 3.273 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)NCCC[NH2+]C1CCCCC1 ZINC000125685550 495482642 /nfs/dbraw/zinc/48/26/42/495482642.db2.gz OCYMUHSXXIBVCJ-GOSISDBHSA-N 2 0 352.567 3.253 20 0 FGADRP C[NH+](C)CCNC(=O)c1cccc(C[NH2+][C@@H]2CC[C@@H](c3ccccc3)C2)c1 ZINC000131119523 495494871 /nfs/dbraw/zinc/49/48/71/495494871.db2.gz NKPNYJPQVVAQCX-IFMALSPDSA-N 2 0 365.521 3.404 20 0 FGADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H](C)c1ccc(NS(C)(=O)=O)cc1 ZINC000131285249 495516629 /nfs/dbraw/zinc/51/66/29/495516629.db2.gz ZAWKPNNQXUCMBI-HOTGVXAUSA-N 2 0 355.548 3.219 20 0 FGADRP Fc1cccc(F)c1-c1ccc(C[NH2+]CCCC[NH+]2CCOCC2)o1 ZINC000115612317 495521351 /nfs/dbraw/zinc/52/13/51/495521351.db2.gz AZWFGMGNHUDWJM-UHFFFAOYSA-N 2 0 350.409 3.427 20 0 FGADRP CCC[NH+]1CCC(NC(=O)NCc2ccccc2C[N@H+](C)C(C)C)CC1 ZINC000107328430 495525378 /nfs/dbraw/zinc/52/53/78/495525378.db2.gz AIVOPZFMMUSHCY-UHFFFAOYSA-N 2 0 360.546 3.200 20 0 FGADRP CC[NH+]1CCN([C@H]2CC[N@@H+]([C@@H](C)c3ccc(OC(F)F)cc3)C2)CC1 ZINC000107369740 495526160 /nfs/dbraw/zinc/52/61/60/495526160.db2.gz CQTWBNMYYGNLFX-RDJZCZTQSA-N 2 0 353.457 3.061 20 0 FGADRP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000143604548 495536514 /nfs/dbraw/zinc/53/65/14/495536514.db2.gz IFPRFIHQLZRTNN-RTBURBONSA-N 2 0 357.542 3.135 20 0 FGADRP CC[NH+]1CCN(CCC[NH2+][C@@H](C)c2ccc(Br)s2)CC1 ZINC000154246443 495556438 /nfs/dbraw/zinc/55/64/38/495556438.db2.gz GXMBMVGLKFOWHR-ZDUSSCGKSA-N 2 0 360.365 3.189 20 0 FGADRP CC[NH+]1CCN(CCC[NH2+][C@H](COC)c2cccc(C(F)(F)F)c2)CC1 ZINC000154288720 495569909 /nfs/dbraw/zinc/56/99/09/495569909.db2.gz VKMTUEALYNWIHA-GOSISDBHSA-N 2 0 373.463 3.010 20 0 FGADRP C[C@@H]1C[C@@H](N(C)C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)CC[N@@H+]1C ZINC000173564646 495590692 /nfs/dbraw/zinc/59/06/92/495590692.db2.gz SDGYLWQRMLENRL-NQIIRXRSSA-N 2 0 372.557 3.297 20 0 FGADRP C[C@@H](O)C[C@H]1CCC[N@@H+]1Cc1ccccc1C[NH+]1CCC[C@H]1C[C@H](C)O ZINC000179453936 495597817 /nfs/dbraw/zinc/59/78/17/495597817.db2.gz WQVSTJMVJXQRJO-VVIORFSUSA-N 2 0 360.542 3.157 20 0 FGADRP CCCN(Cc1ccc(C)cc1)C(=O)CN1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150755499 495622902 /nfs/dbraw/zinc/62/29/02/495622902.db2.gz KAFVJOHKANZAEI-OAQYLSRUSA-N 2 0 357.542 3.151 20 0 FGADRP CC[C@@H]([NH2+]CC1CC[NH+](Cc2ccc(OC)cc2)CC1)c1nccn1C ZINC000182679697 495662241 /nfs/dbraw/zinc/66/22/41/495662241.db2.gz PYDQOCHIKUCIBX-HXUWFJFHSA-N 2 0 356.514 3.382 20 0 FGADRP C[C@H]1CCc2c(F)cccc2[C@@H]1[NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000159128628 495665580 /nfs/dbraw/zinc/66/55/80/495665580.db2.gz SYBQUUUWMQEYQU-KSFYIVLOSA-N 2 0 368.500 3.386 20 0 FGADRP CC[NH+]1CCC(CNC(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)CC1 ZINC000574539666 505796062 /nfs/dbraw/zinc/79/60/62/505796062.db2.gz OBTUADICFBBZFV-HXUWFJFHSA-N 2 0 364.578 3.016 20 0 FGADRP C[C@@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)c1cnc2ccsc2c1 ZINC000159189482 495680076 /nfs/dbraw/zinc/68/00/76/495680076.db2.gz ARHLKQMGHLISNP-OAHLLOKOSA-N 2 0 367.522 3.294 20 0 FGADRP CN(C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000176565103 495700898 /nfs/dbraw/zinc/70/08/98/495700898.db2.gz RSYRKSJPQJHOBF-PZJWPPBQSA-N 2 0 372.557 3.165 20 0 FGADRP CCC[NH+]1CCC(N(C)C(=O)NC[C@]2([NH+](C)C)CCC[C@@H](C)C2)CC1 ZINC000171048272 495701893 /nfs/dbraw/zinc/70/18/93/495701893.db2.gz HWVFWNXGFRPKQY-XLIONFOSSA-N 2 0 352.567 3.013 20 0 FGADRP CCC[NH+]1CCC(N(C)C(=O)NC[C@@]2([NH+](C)C)CCC[C@H](C)C2)CC1 ZINC000171048269 495701938 /nfs/dbraw/zinc/70/19/38/495701938.db2.gz HWVFWNXGFRPKQY-FXAWDEMLSA-N 2 0 352.567 3.013 20 0 FGADRP CC[NH+](CC)CCCNC(=O)C1CC[NH+]([C@@H](C)c2ccc(F)cc2)CC1 ZINC000150999490 495707063 /nfs/dbraw/zinc/70/70/63/495707063.db2.gz RIQKTGKSLQOBEA-KRWDZBQOSA-N 2 0 363.521 3.447 20 0 FGADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000176631883 495727785 /nfs/dbraw/zinc/72/77/85/495727785.db2.gz UBLRPWORVLNPFD-UXHICEINSA-N 2 0 360.546 3.153 20 0 FGADRP COC[C@H](C)[NH2+]Cc1ccccc1C[NH+]1CCN(c2ccccc2)CC1 ZINC000173911226 495744357 /nfs/dbraw/zinc/74/43/57/495744357.db2.gz WIJUOPLQVFVKBS-IBGZPJMESA-N 2 0 353.510 3.133 20 0 FGADRP C[C@@H](NC(=O)N(CC[NH+](C)C)C1CCCC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182898554 495747846 /nfs/dbraw/zinc/74/78/46/495747846.db2.gz SMGDDNOCEPQUEO-MSOLQXFVSA-N 2 0 364.578 3.155 20 0 FGADRP FC(F)Oc1ccc(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)cc1 ZINC000173946925 495757580 /nfs/dbraw/zinc/75/75/80/495757580.db2.gz MWKRHPXOYOPLQH-UHFFFAOYSA-N 2 0 354.441 3.365 20 0 FGADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1ccc(Cl)cc1Br ZINC000185877072 495761170 /nfs/dbraw/zinc/76/11/70/495761170.db2.gz MDJTYUMEJRLYBT-ZDUSSCGKSA-N 2 0 374.754 3.218 20 0 FGADRP C[C@@H]1C[NH+](CC2CC[NH+](Cc3cn(C)nc3C(C)(C)C)CC2)C[C@@H](C)O1 ZINC000179884351 495770222 /nfs/dbraw/zinc/77/02/22/495770222.db2.gz KHYCGCYWIZYGGF-IAGOWNOFSA-N 2 0 362.562 3.039 20 0 FGADRP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)C2CC[NH+](C)CC2)C1 ZINC000173992916 495780022 /nfs/dbraw/zinc/78/00/22/495780022.db2.gz SKUXDAXXBQITDH-QZTJIDSGSA-N 2 0 357.542 3.123 20 0 FGADRP COc1ccc([C@H]([NH2+]Cc2cccnc2N2CC[NH+](C)CC2)C(C)C)cc1 ZINC000180057763 495840163 /nfs/dbraw/zinc/84/01/63/495840163.db2.gz VGJUVBHGCGPVSO-OAQYLSRUSA-N 2 0 368.525 3.329 20 0 FGADRP Cc1ccc2c(c1)[C@H]([NH2+]Cc1ccc(N3CC[NH+](C)CC3)nc1)[C@H](C)C2 ZINC000180061038 495841796 /nfs/dbraw/zinc/84/17/96/495841796.db2.gz AQWRFUZZUNHPAL-VGOFRKELSA-N 2 0 350.510 3.165 20 0 FGADRP C[C@@H](O)c1ccc(C[NH2+]Cc2c(Cl)cccc2N2CC[NH+](C)CC2)cc1 ZINC000180093767 495856183 /nfs/dbraw/zinc/85/61/83/495856183.db2.gz ODJFDMKUEGEEFS-MRXNPFEDSA-N 2 0 373.928 3.435 20 0 FGADRP C[C@@H]([NH2+]Cc1cccc(OCCN2CCOCC2)c1)c1ccc(F)cc1 ZINC000155180018 495864190 /nfs/dbraw/zinc/86/41/90/495864190.db2.gz KQULQGYWHNOQMP-QGZVFWFLSA-N 2 0 358.457 3.388 20 0 FGADRP COc1ccc(C[NH2+][C@H](C)c2cccc(OCC[NH+](C)C)c2)cc1OC ZINC000151579563 495884161 /nfs/dbraw/zinc/88/41/61/495884161.db2.gz MXPQVENKJPTCBU-MRXNPFEDSA-N 2 0 358.482 3.495 20 0 FGADRP COc1ccccc1-c1ccc(C[NH2+]C[C@H](C)CN2CC[NH+](C)CC2)cc1 ZINC000174349624 495922770 /nfs/dbraw/zinc/92/27/70/495922770.db2.gz ABGJUPPEMIMCJL-IBGZPJMESA-N 2 0 367.537 3.335 20 0 FGADRP O=C(CC[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1)Nc1cccc(C(F)(F)F)c1 ZINC000177123587 495935885 /nfs/dbraw/zinc/93/58/85/495935885.db2.gz QERKXKJWKBIFPC-HNNXBMFYSA-N 2 0 369.431 3.452 20 0 FGADRP CSC1(C[NH2+][C@H](C)c2ccc(Br)cn2)CC[NH+](C)CC1 ZINC000580681512 505812897 /nfs/dbraw/zinc/81/28/97/505812897.db2.gz VBVNQOQMXZNZKM-GFCCVEGCSA-N 2 0 358.349 3.322 20 0 FGADRP C[N@H+](C[C@H](O)COc1ccccc1F)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000174404905 495943972 /nfs/dbraw/zinc/94/39/72/495943972.db2.gz RCJRPLRXKFQROJ-UXHICEINSA-N 2 0 372.484 3.019 20 0 FGADRP C[C@H]([NH2+]Cc1ccc(C[S@](C)=O)cc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000571785106 505814889 /nfs/dbraw/zinc/81/48/89/505814889.db2.gz AHRMQUFYAFABFC-QLXKLKPCSA-N 2 0 374.550 3.356 20 0 FGADRP CC[C@H]([NH2+]CC1CC[NH+](CCO)CC1)c1cccc(Br)c1 ZINC000151870087 495976161 /nfs/dbraw/zinc/97/61/61/495976161.db2.gz KNBVSWMNJIXXIH-KRWDZBQOSA-N 2 0 355.320 3.194 20 0 FGADRP COCCC[NH+]1CCC([NH2+][C@H]2CCc3[nH]c4ccc(C)cc4c3C2)CC1 ZINC000180403128 495982462 /nfs/dbraw/zinc/98/24/62/495982462.db2.gz PSVVCBBGZQPIAS-SFHVURJKSA-N 2 0 355.526 3.424 20 0 FGADRP O=C(Nc1ccc2c(c1)nc1n2CCCCC1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000174567615 496013117 /nfs/dbraw/zinc/01/31/17/496013117.db2.gz HQIRAZRIYRFXQG-QGZVFWFLSA-N 2 0 365.481 3.241 20 0 FGADRP CC[C@@H]([NH2+]C[C@H](C)N1CC[NH+](CC)CC1)c1ccc(OC(F)F)cc1 ZINC000155716126 496044983 /nfs/dbraw/zinc/04/49/83/496044983.db2.gz YSZIPRGZAJCTKZ-MAUKXSAKSA-N 2 0 355.473 3.355 20 0 FGADRP C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)C3CC[NH+](C)CC3)cc2)C1 ZINC000174650665 496047004 /nfs/dbraw/zinc/04/70/04/496047004.db2.gz BHHYMPYAIODSFA-ROUUACIJSA-N 2 0 357.542 3.123 20 0 FGADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1cc(Br)ccc1F ZINC000186564211 496047082 /nfs/dbraw/zinc/04/70/82/496047082.db2.gz APKVPHAVKQHHLX-KGLIPLIRSA-N 2 0 372.326 3.265 20 0 FGADRP CC[C@@H]([NH2+][C@H](C)CCN1CC[NH+](C)CC1)c1ccc(OC(F)F)cc1 ZINC000186573539 496052426 /nfs/dbraw/zinc/05/24/26/496052426.db2.gz YYEUILWGDQTMOL-CRAIPNDOSA-N 2 0 355.473 3.355 20 0 FGADRP CC(C)c1ccc(-c2noc(CN3C[C@@H](C[NH3+])C4(C3)CCOCC4)n2)cc1 ZINC000574637874 505820990 /nfs/dbraw/zinc/82/09/90/505820990.db2.gz IYXMIAAALJQROH-GOSISDBHSA-N 2 0 370.497 3.047 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1)CC(C)C ZINC000155914954 496105844 /nfs/dbraw/zinc/10/58/44/496105844.db2.gz PXDCNDODTRSQAY-PMACEKPBSA-N 2 0 366.594 3.403 20 0 FGADRP CC(C)OCC[C@@H](O)C[NH2+]Cc1ccccc1C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000577947570 505825290 /nfs/dbraw/zinc/82/52/90/505825290.db2.gz LHROGDBBMWZCCE-WOIUINJBSA-N 2 0 362.558 3.430 20 0 FGADRP CCOc1ccc(C2(C[NH2+][C@@H]3CC[N@H+](CC)C[C@H]3C)CCOCC2)cc1 ZINC000152454364 496156199 /nfs/dbraw/zinc/15/61/99/496156199.db2.gz QBEICWUFLSVNRT-WIYYLYMNSA-N 2 0 360.542 3.453 20 0 FGADRP CCC[N@H+](CC)C[C@@H](C)NC(=O)N[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000571848914 505827752 /nfs/dbraw/zinc/82/77/52/505827752.db2.gz VXRGKNXVPSUQJA-SBHAEUEKSA-N 2 0 374.573 3.459 20 0 FGADRP O=C(NCCCCC[NH+]1CCCCC1)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000161618099 496208732 /nfs/dbraw/zinc/20/87/32/496208732.db2.gz ZBDRMRCZKIATLV-FQEVSTJZSA-N 2 0 364.578 3.303 20 0 FGADRP C[C@@H]1C[C@@H](NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)C[N@@H+]1Cc1ccccc1 ZINC000161629868 496211201 /nfs/dbraw/zinc/21/12/01/496211201.db2.gz WOALXMLFMNDIBY-SJLPKXTDSA-N 2 0 372.557 3.258 20 0 FGADRP C[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)c1ccc2c(c1)CCC2 ZINC000177826277 496212999 /nfs/dbraw/zinc/21/29/99/496212999.db2.gz YQXYUUWLZYBJPA-QGZVFWFLSA-N 2 0 350.510 3.173 20 0 FGADRP Cc1cccc(CCC[NH+]2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)c1 ZINC000181117117 496276567 /nfs/dbraw/zinc/27/65/67/496276567.db2.gz AHYVFCJOHPBHLA-UHFFFAOYSA-N 2 0 373.585 3.344 20 0 FGADRP Cc1nccn1CCCCNC(=O)NCCCn1c(C)nc2ccccc21 ZINC000175331236 496343030 /nfs/dbraw/zinc/34/30/30/496343030.db2.gz ZWGBDNBWJJVOCJ-UHFFFAOYSA-N 2 0 368.485 3.019 20 0 FGADRP COc1ccc(C(=O)Nc2cccc(CN3CC[C@H]([NH3+])C[C@@H]3C)c2)cc1 ZINC000574700341 505835628 /nfs/dbraw/zinc/83/56/28/505835628.db2.gz NVLZGFXCHLJAGN-YJBOKZPZSA-N 2 0 353.466 3.259 20 0 FGADRP COc1ccc([C@H](C)[NH2+]Cc2cccc(OCC[NH+](C)C)c2)c(OC)c1 ZINC000162583683 496377464 /nfs/dbraw/zinc/37/74/64/496377464.db2.gz CQHTZWGCQIZECD-INIZCTEOSA-N 2 0 358.482 3.495 20 0 FGADRP CCO[C@H]1C[C@H]([NH2+]Cc2ccc(N3CC[NH+](C)CC3)nc2)C12CCCCC2 ZINC000181456252 496404099 /nfs/dbraw/zinc/40/40/99/496404099.db2.gz MTFJEAYIANZNAN-PMACEKPBSA-N 2 0 372.557 3.051 20 0 FGADRP CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+]CC[C@H](C)[NH+]2CCCCC2)cc1 ZINC000184497318 496412324 /nfs/dbraw/zinc/41/23/24/496412324.db2.gz ABQDKFDMCWFALK-DLBZAZTESA-N 2 0 367.559 3.363 20 0 FGADRP CCO[C@H]1C[C@H]([NH2+]CCCC[NH+]2CCN(CC)CC2)C12CCCCC2 ZINC000181493610 496418080 /nfs/dbraw/zinc/41/80/80/496418080.db2.gz UKLKEPALCIUXRW-PMACEKPBSA-N 2 0 351.579 3.122 20 0 FGADRP CC(C)C[NH+]1CCC(NC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2)CC1 ZINC000172770447 496423677 /nfs/dbraw/zinc/42/36/77/496423677.db2.gz PSLRKVMIPNSTJW-NRFANRHFSA-N 2 0 357.542 3.278 20 0 FGADRP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCCC2)cc1)c1ccc(-n2cnnn2)cc1 ZINC000162942803 496437841 /nfs/dbraw/zinc/43/78/41/496437841.db2.gz HWDZVMUJCQJPKP-QGZVFWFLSA-N 2 0 362.481 3.109 20 0 FGADRP C[NH+](C)Cc1cccc(C(=O)NC[C@@H](C2CC2)[N@H+](C)Cc2ccccc2)c1 ZINC000187458727 496449503 /nfs/dbraw/zinc/44/95/03/496449503.db2.gz OGXRMRLNRPOZIP-QFIPXVFZSA-N 2 0 365.521 3.389 20 0 FGADRP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@H](C)[C@@H]2C)CC1 ZINC000172864194 496466130 /nfs/dbraw/zinc/46/61/30/496466130.db2.gz YMHGHIUIAAFTKL-MJGOQNOKSA-N 2 0 357.542 3.196 20 0 FGADRP C[NH+](C)[C@H]1CCC[C@@H](NC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000175646369 496481388 /nfs/dbraw/zinc/48/13/88/496481388.db2.gz PPQXYLJSMAMNLW-RTWAWAEBSA-N 2 0 372.557 3.345 20 0 FGADRP CC[NH+](CC)Cc1ccccc1CNC(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000175645504 496481534 /nfs/dbraw/zinc/48/15/34/496481534.db2.gz NVDDIQNFFJQVGK-UXHICEINSA-N 2 0 360.546 3.200 20 0 FGADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)CC(=O)Nc2cccc(Br)c2)C1 ZINC000163219572 496483640 /nfs/dbraw/zinc/48/36/40/496483640.db2.gz NCVOCKZDCSRQAS-KBPBESRZSA-N 2 0 368.319 3.098 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCOc2ccccc2Cl)[C@H](C)C1 ZINC000181652948 496488743 /nfs/dbraw/zinc/48/87/43/496488743.db2.gz TYKJOGXDPAKYLF-AEFFLSMTSA-N 2 0 354.922 3.445 20 0 FGADRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC2CC[NH+](C3CCCC3)CC2)C1 ZINC000175673256 496495356 /nfs/dbraw/zinc/49/53/56/496495356.db2.gz CTFBRQQQSLSHMV-QGZVFWFLSA-N 2 0 364.578 3.203 20 0 FGADRP C[C@@H](CCc1ccccc1)[NH+]1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000172984320 496509864 /nfs/dbraw/zinc/50/98/64/496509864.db2.gz PEQWYEAPNLCJEG-IBGZPJMESA-N 2 0 373.585 3.424 20 0 FGADRP Cc1ccc(C[N@H+]2CC[C@@H](CN(C)C(=O)c3ccc4c[nH+]cn4c3)C2)s1 ZINC000580838488 505849895 /nfs/dbraw/zinc/84/98/95/505849895.db2.gz AVPPFUKWXHZHIO-INIZCTEOSA-N 2 0 368.506 3.298 20 0 FGADRP CC1(C(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)CC[NH+](Cc2ccccc2)CC1 ZINC000578066035 505853683 /nfs/dbraw/zinc/85/36/83/505853683.db2.gz BTRLDLKSQZEMCR-NRFANRHFSA-N 2 0 369.553 3.279 20 0 FGADRP C[N@@H+](Cc1cc(Br)cc2c1OCC2)CC1CC[NH+](C)CC1 ZINC000153850480 496601172 /nfs/dbraw/zinc/60/11/72/496601172.db2.gz WJBSLWRKTOFSCD-UHFFFAOYSA-N 2 0 353.304 3.158 20 0 FGADRP C[C@@H]([NH2+]CCCCC[NH+]1CCCCC1)c1ccc(S(C)(=O)=O)cc1 ZINC000164650209 496626444 /nfs/dbraw/zinc/62/64/44/496626444.db2.gz AMOGVSOXWQIYBN-QGZVFWFLSA-N 2 0 352.544 3.397 20 0 FGADRP CC[N@H+](C)Cc1cccc(CNC(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC000158109760 496629088 /nfs/dbraw/zinc/62/90/88/496629088.db2.gz XOSIIVKDAMQGCT-OAQYLSRUSA-N 2 0 372.557 3.298 20 0 FGADRP C[C@@H]1CC[C@@H]([NH2+]Cc2cccc(C[NH+]3CCCC3)c2)[C@@H](n2cncn2)C1 ZINC000574790363 505855950 /nfs/dbraw/zinc/85/59/50/505855950.db2.gz IKXURRYRXYVVFZ-UIFIKXQLSA-N 2 0 353.514 3.393 20 0 FGADRP O=C(NC1CC[NH+](C2CCCC2)CC1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000176027577 496648884 /nfs/dbraw/zinc/64/88/84/496648884.db2.gz RYFKFNPBQYAMSU-HXUWFJFHSA-N 2 0 362.562 3.053 20 0 FGADRP C[C@@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)c1sccc1Br ZINC000571965477 505857246 /nfs/dbraw/zinc/85/72/46/505857246.db2.gz VKBYOSOCRBJXLH-GFCCVEGCSA-N 2 0 360.365 3.187 20 0 FGADRP COc1ccc([C@@H](C)[NH2+]Cc2ccccc2OCC[NH+](C)C)cc1OC ZINC000173364880 496660389 /nfs/dbraw/zinc/66/03/89/496660389.db2.gz YRPPWXLMAZETTQ-MRXNPFEDSA-N 2 0 358.482 3.495 20 0 FGADRP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000158260218 496661654 /nfs/dbraw/zinc/66/16/54/496661654.db2.gz ZGSBATQOVPGBDV-IRXDYDNUSA-N 2 0 364.555 3.395 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)N(C)CC[NH+](C)C1CC1 ZINC000185124998 496671741 /nfs/dbraw/zinc/67/17/41/496671741.db2.gz SRBWIKNHMIAAEG-GOSISDBHSA-N 2 0 372.557 3.297 20 0 FGADRP COc1ccc(Cl)cc1C1(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)CCOCC1 ZINC000154067393 496672995 /nfs/dbraw/zinc/67/29/95/496672995.db2.gz FAVWRAXRJDCPAT-DOTOQJQBSA-N 2 0 366.933 3.469 20 0 FGADRP COc1cccc(C[NH2+][C@@H](C)c2ccc(OCC[NH+](C)C)cc2)c1OC ZINC000165940816 496673027 /nfs/dbraw/zinc/67/30/27/496673027.db2.gz HYRUDGKGMJSHFL-INIZCTEOSA-N 2 0 358.482 3.495 20 0 FGADRP Cc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(N3CC[NH+](C)CC3)nc1)CCC2 ZINC000166099539 496676689 /nfs/dbraw/zinc/67/66/89/496676689.db2.gz CWSXXFSDUWMRNS-NRFANRHFSA-N 2 0 350.510 3.309 20 0 FGADRP Cc1ccc2c(c1)[C@H]([NH2+]Cc1ccnc(N3CC[NH+](C)CC3)c1)CCC2 ZINC000166180359 496679778 /nfs/dbraw/zinc/67/97/78/496679778.db2.gz YYEXKOREZWPXAL-OAQYLSRUSA-N 2 0 350.510 3.309 20 0 FGADRP COc1ccc2c(c1)[C@H]([NH2+]CCN1CCC([NH+](C)C)CC1)CCCS2 ZINC000188109974 496687496 /nfs/dbraw/zinc/68/74/96/496687496.db2.gz IKXLJDNBIPIEAI-LJQANCHMSA-N 2 0 363.571 3.238 20 0 FGADRP C[C@@H](CNC(=O)CC[C@H]([NH3+])c1ccccc1)[N@@H+]1CCc2ccccc2C1 ZINC000166500089 496688332 /nfs/dbraw/zinc/68/83/32/496688332.db2.gz WBOFTFYHDXUCHE-UWJYYQICSA-N 2 0 351.494 3.030 20 0 FGADRP C[NH+](C)Cc1cccc(C(=O)N(Cc2ccccc2)C2CC[NH+](C)CC2)c1 ZINC000176125479 496694630 /nfs/dbraw/zinc/69/46/30/496694630.db2.gz YTXLGJNYUWENBM-UHFFFAOYSA-N 2 0 365.521 3.485 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)N3CCC[C@@H](C[NH3+])C3)cc2)C1 ZINC000580882054 505860407 /nfs/dbraw/zinc/86/04/07/505860407.db2.gz NZKHGSIFOUUGJD-UEXGIBASSA-N 2 0 372.557 3.045 20 0 FGADRP C[C@H]1CCCC[N@@H+]1CCCNC(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000176166226 496710958 /nfs/dbraw/zinc/71/09/58/496710958.db2.gz OBVVGYFJSBEDGI-SFHVURJKSA-N 2 0 364.578 3.347 20 0 FGADRP C[NH+](C)CCCOc1cccc(NC(=O)CC[C@H]([NH3+])c2ccccc2)c1 ZINC000168764472 496711569 /nfs/dbraw/zinc/71/15/69/496711569.db2.gz HHXGOFOCGGCARD-FQEVSTJZSA-N 2 0 355.482 3.436 20 0 FGADRP CC1CC[NH+](CCCNC(=O)NC2CC[NH+](C3CCCCC3)CC2)CC1 ZINC000176170547 496712911 /nfs/dbraw/zinc/71/29/11/496712911.db2.gz GTHFPMFJOLJTKA-UHFFFAOYSA-N 2 0 364.578 3.205 20 0 FGADRP COc1ccc2c(c1)[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO)CC2 ZINC000182225622 496713667 /nfs/dbraw/zinc/71/36/67/496713667.db2.gz BPEJVMKONJSOFQ-OFNKIYASSA-N 2 0 366.505 3.429 20 0 FGADRP O[C@H]1CC[N@H+](Cc2ccccc2C[NH2+][C@H]2CCCOc3ccc(F)cc32)C1 ZINC000182268952 496723831 /nfs/dbraw/zinc/72/38/31/496723831.db2.gz LZJMDRHEWIJPOT-FPOVZHCZSA-N 2 0 370.468 3.396 20 0 FGADRP O[C@H]1CC[N@H+](Cc2ccccc2C[NH2+][C@H](Cc2ccccc2)C2CC2)C1 ZINC000182272969 496724226 /nfs/dbraw/zinc/72/42/26/496724226.db2.gz GDJLOJCLNFIAOA-XZOQPEGZSA-N 2 0 350.506 3.364 20 0 FGADRP CCc1nc(C)c([C@@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CC[C@H](O)C2)s1 ZINC000182273640 496724740 /nfs/dbraw/zinc/72/47/40/496724740.db2.gz OWLNFDXVJPWQED-KDOFPFPSSA-N 2 0 359.539 3.431 20 0 FGADRP CC[NH+](CC)Cc1cccc(CNC(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)c1 ZINC000182316724 496729445 /nfs/dbraw/zinc/72/94/45/496729445.db2.gz TUKDVXHGPUKKTC-NHCUHLMSSA-N 2 0 372.557 3.154 20 0 FGADRP O=C(NC1CC[NH+](CC2CC2)CC1)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000194923682 496761662 /nfs/dbraw/zinc/76/16/62/496761662.db2.gz DVJBTNXQDZYJIB-LJQANCHMSA-N 2 0 373.516 3.028 20 0 FGADRP C[C@H](Cn1cc(Br)cn1)[NH2+]CCCC[N@@H+]1CCCC[C@H]1C ZINC000247044036 496761718 /nfs/dbraw/zinc/76/17/18/496761718.db2.gz MXJMMFNEGQEFFQ-HUUCEWRRSA-N 2 0 357.340 3.278 20 0 FGADRP CCCC[NH+]1CCC(NC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000194954005 496772491 /nfs/dbraw/zinc/77/24/91/496772491.db2.gz BGKHVCNLDYOFIO-UHFFFAOYSA-N 2 0 372.557 3.346 20 0 FGADRP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000273342311 496778420 /nfs/dbraw/zinc/77/84/20/496778420.db2.gz AQIGHNXFCRKAFD-WIYYLYMNSA-N 2 0 372.557 3.195 20 0 FGADRP CC[NH+](CC)Cc1ccc(CNC(=O)N(C)[C@H](C)C2CC[NH+](C)CC2)cc1 ZINC000273347777 496780903 /nfs/dbraw/zinc/78/09/03/496780903.db2.gz CBRAZNZSIGOWQC-GOSISDBHSA-N 2 0 374.573 3.400 20 0 FGADRP COc1ccc2c(c1)[C@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)CCC2 ZINC000268789244 496786969 /nfs/dbraw/zinc/78/69/69/496786969.db2.gz FHGFMDBYZWBJNY-OAQYLSRUSA-N 2 0 366.509 3.009 20 0 FGADRP COc1ccc([C@H]2C[C@H](C)[N@H+](CCCN3CC[NH+](C(C)C)CC3)C2)cc1 ZINC000191503218 496787890 /nfs/dbraw/zinc/78/78/90/496787890.db2.gz BWMYKQZIFKNIFO-FPOVZHCZSA-N 2 0 359.558 3.289 20 0 FGADRP COc1ccccc1O[C@H](C)C[NH2+][C@@H]1CCN(Cc2ccccn2)C[C@@H]1C ZINC000247247916 496815883 /nfs/dbraw/zinc/81/58/83/496815883.db2.gz YCNDQPFKAILQFX-NLWGTHIKSA-N 2 0 369.509 3.358 20 0 FGADRP Cc1ccc(C[C@H](CO)[NH2+][C@@H](C)c2cccc(OCC[NH+](C)C)c2)cc1 ZINC000191585059 496821796 /nfs/dbraw/zinc/82/17/96/496821796.db2.gz UTGRFLAPZSKNJW-GHTZIAJQSA-N 2 0 356.510 3.190 20 0 FGADRP Cc1cccc(C[C@H](CO)[NH2+][C@@H](C)c2cccc(OCC[NH+](C)C)c2)c1 ZINC000191602858 496827797 /nfs/dbraw/zinc/82/77/97/496827797.db2.gz OTZGYVQCDSFCBK-GHTZIAJQSA-N 2 0 356.510 3.190 20 0 FGADRP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]CCN3CCc4ccccc4C3=O)CC2)C1 ZINC000191616960 496833758 /nfs/dbraw/zinc/83/37/58/496833758.db2.gz SCFNHLHYDNMMRY-WIYYLYMNSA-N 2 0 369.553 3.318 20 0 FGADRP C[C@@H]([NH2+]C1CC1)C(=O)N(CCC[NH+](C)C)Cc1ccc(Cl)c(Cl)c1 ZINC000578129524 505869323 /nfs/dbraw/zinc/86/93/23/505869323.db2.gz KKLPRRYWTFRYJI-CYBMUJFWSA-N 2 0 372.340 3.414 20 0 FGADRP COc1ccc([C@H](C[NH+]2CCCC2)NC(=O)C[C@@H]([NH3+])c2ccccc2)cc1 ZINC000578132852 505869618 /nfs/dbraw/zinc/86/96/18/505869618.db2.gz BABCDJKHJYYRAT-RTWAWAEBSA-N 2 0 367.493 3.038 20 0 FGADRP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)C1 ZINC000574861688 505871387 /nfs/dbraw/zinc/87/13/87/505871387.db2.gz XDKCHOQXXDQDRX-YSIASYRMSA-N 2 0 372.557 3.023 20 0 FGADRP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)c1ccccc1Br ZINC000248124296 496957544 /nfs/dbraw/zinc/95/75/44/496957544.db2.gz NSUDCBXWKSVZHC-CABCVRRESA-N 2 0 355.320 3.337 20 0 FGADRP CC[NH+]1CCN([C@H](C)C[NH2+]Cc2cc(Cl)cc(C(F)(F)F)c2)CC1 ZINC000189042072 496988991 /nfs/dbraw/zinc/98/89/91/496988991.db2.gz JEHJOVAUFXTFDK-CYBMUJFWSA-N 2 0 363.855 3.474 20 0 FGADRP Cc1cc(NC(=O)CC[NH2+][C@H]2[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]2C)no1 ZINC000248390755 496992288 /nfs/dbraw/zinc/99/22/88/496992288.db2.gz CHBYDYVLUIBSCD-JIPZTSHUSA-N 2 0 370.497 3.058 20 0 FGADRP c1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH2+]C[C@H]4CC[NH+](C5CC5)C4)[C@H]3C2)cc1 ZINC000248408785 496999856 /nfs/dbraw/zinc/99/98/56/496999856.db2.gz VWQRCBDBJJCKRV-VAPSRWTKSA-N 3 0 353.554 3.361 20 0 FGADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000248410510 497000589 /nfs/dbraw/zinc/00/05/89/497000589.db2.gz XZVGXXMNMQEQLW-WBADGQHESA-N 3 0 373.585 3.234 20 0 FGADRP COCCC1(C[NH2+]C2CCN(C3CC[NH+](C)CC3)CC2)CCCCC1 ZINC000189104541 497010186 /nfs/dbraw/zinc/01/01/86/497010186.db2.gz CFBNFWAXUREYRO-UHFFFAOYSA-N 2 0 351.579 3.122 20 0 FGADRP CNc1cc(N2CCC[C@@H]2C[NH2+][C@H]2CCCOc3cc(F)ccc32)ncn1 ZINC000248464971 497021545 /nfs/dbraw/zinc/02/15/45/497021545.db2.gz ZSRRNAPTVURTEE-WBVHZDCISA-N 2 0 371.460 3.130 20 0 FGADRP COc1ccccc1-c1nc(C2CC[NH+](CC[C@H]3CCC[N@@H+]3C)CC2)no1 ZINC000192340219 497078706 /nfs/dbraw/zinc/07/87/06/497078706.db2.gz OHMSAEGNZHSYJO-QGZVFWFLSA-N 2 0 370.497 3.409 20 0 FGADRP c1ccc2c(c1)NCCC[C@H]2[NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000572080099 505883784 /nfs/dbraw/zinc/88/37/84/505883784.db2.gz WQHXCWMKLFDZOX-JOCHJYFZSA-N 2 0 365.525 3.130 20 0 FGADRP Cc1nc(F)ccc1C[NH2+][C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000278368286 497090614 /nfs/dbraw/zinc/09/06/14/497090614.db2.gz JSZIRVUUXVFXPX-HNNXBMFYSA-N 2 0 360.452 3.271 20 0 FGADRP OC[C@H](Cc1ccccc1)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000248823533 497110247 /nfs/dbraw/zinc/11/02/47/497110247.db2.gz FNXXPVCGDHHJEG-CWBXHPNXSA-N 2 0 350.506 3.375 20 0 FGADRP OC[C@@H](Cc1ccccc1)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000248823537 497110473 /nfs/dbraw/zinc/11/04/73/497110473.db2.gz FNXXPVCGDHHJEG-ODAXIHTASA-N 2 0 350.506 3.375 20 0 FGADRP COc1cccc2c1CC[C@@H]([NH2+]Cc1cccc(OCC[NH+](C)C)c1)C2 ZINC000192439516 497114815 /nfs/dbraw/zinc/11/48/15/497114815.db2.gz IWUUQSSLYBVXRE-LJQANCHMSA-N 2 0 354.494 3.283 20 0 FGADRP CC(C)[N@@H+]1CCCN(C(=O)Nc2ccc([C@H](C)N3CCOCC3)cc2)CC1 ZINC000265428726 497118091 /nfs/dbraw/zinc/11/80/91/497118091.db2.gz ZUYTXZVWYIFJBX-SFHVURJKSA-N 2 0 374.529 3.028 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000248872703 497121868 /nfs/dbraw/zinc/12/18/68/497121868.db2.gz QSIMKBUJHIOTBS-YLJYHZDGSA-N 2 0 372.557 3.069 20 0 FGADRP C[C@@]([NH3+])(C(=O)Nc1cccc(C[NH+]2CCSCC2)c1)c1ccccc1 ZINC000192525457 497140388 /nfs/dbraw/zinc/14/03/88/497140388.db2.gz JFINSRSECNXLAM-FQEVSTJZSA-N 2 0 355.507 3.048 20 0 FGADRP C[N@@H+]1CC[C@H](NC(=O)N2CCC([NH+]3CCCCC3)CC2)[C@H]1c1ccccc1 ZINC000270516050 497143151 /nfs/dbraw/zinc/14/31/51/497143151.db2.gz MDXAFKJQFSLABW-LEWJYISDSA-N 2 0 370.541 3.092 20 0 FGADRP Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000278591329 497159674 /nfs/dbraw/zinc/15/96/74/497159674.db2.gz IEJLTRWHIHNJHA-IBGZPJMESA-N 2 0 359.539 3.109 20 0 FGADRP CC[NH+](CC)CCOc1ccccc1NC(=O)C[C@@H]([NH3+])c1ccccc1 ZINC000236876185 497161778 /nfs/dbraw/zinc/16/17/78/497161778.db2.gz OTGVNBRVJQUIBF-GOSISDBHSA-N 2 0 355.482 3.436 20 0 FGADRP CC1(C(=O)NCC2CC[NH+](C3CC3)CC2)CC[NH+](Cc2ccccc2)CC1 ZINC000278605980 497165087 /nfs/dbraw/zinc/16/50/87/497165087.db2.gz VQQOSOLZZGDADE-UHFFFAOYSA-N 2 0 369.553 3.279 20 0 FGADRP CC[C@H]([NH3+])C(=O)NCc1ccccc1-c1ccc(C[NH+]2CCCC2)cc1 ZINC000236916346 497167934 /nfs/dbraw/zinc/16/79/34/497167934.db2.gz KFZIORAUNUFYKK-NRFANRHFSA-N 2 0 351.494 3.303 20 0 FGADRP C[C@H]([NH2+]Cc1cccnc1-n1ccnc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274905863 497196677 /nfs/dbraw/zinc/19/66/77/497196677.db2.gz MDWWYBIXORAJJE-GHTZIAJQSA-N 2 0 361.493 3.268 20 0 FGADRP CC[N@H+](CCCN1CC[NH+](C(C)C)CC1)[C@H](C)Cc1ccc(OC)cc1 ZINC000192738113 497200048 /nfs/dbraw/zinc/20/00/48/497200048.db2.gz JHSXPGKPOXTZIR-HXUWFJFHSA-N 2 0 361.574 3.364 20 0 FGADRP O=C(c1ccc(C[NH+]2CCCCC2)cc1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000265929430 497210683 /nfs/dbraw/zinc/21/06/83/497210683.db2.gz ADWSTCUWJCXTJQ-FQEVSTJZSA-N 2 0 355.526 3.230 20 0 FGADRP COc1ccc([C@H](CNC(=O)CCC2CC[NH2+]CC2)[NH+]2CCCCC2)cc1 ZINC000237324345 497220098 /nfs/dbraw/zinc/22/00/98/497220098.db2.gz UDCDOEHBYPLJFJ-NRFANRHFSA-N 2 0 373.541 3.118 20 0 FGADRP C[C@@H](CNC(=O)NCCCC[N@@H+]1CCCC[C@H]1C)C[NH+]1CCCCC1 ZINC000249686888 497231549 /nfs/dbraw/zinc/23/15/49/497231549.db2.gz JLFLRDVQBONTJF-RBUKOAKNSA-N 2 0 352.567 3.062 20 0 FGADRP O=C(CC[NH2+]C1CC[NH+](CC2CC2)CC1)Nc1cccc(C(F)(F)F)c1 ZINC000578231866 505893359 /nfs/dbraw/zinc/89/33/59/505893359.db2.gz QRAKXHJZRJLGPS-UHFFFAOYSA-N 2 0 369.431 3.498 20 0 FGADRP CC1CC[NH+](Cc2ccccc2CNC(=O)C2CC[NH+](C3CC3)CC2)CC1 ZINC000192901655 497241647 /nfs/dbraw/zinc/24/16/47/497241647.db2.gz JEWDMHBYWLDKRV-UHFFFAOYSA-N 2 0 369.553 3.409 20 0 FGADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)[C@@H]([NH3+])c2ccccc2)cc1 ZINC000237524395 497250134 /nfs/dbraw/zinc/25/01/34/497250134.db2.gz WEQYLQUZFQLZBQ-UWJYYQICSA-N 2 0 351.494 3.377 20 0 FGADRP C[C@H]1C[C@@H](N(C)C(=O)c2ccc(C[NH3+])cc2)CC[N@@H+]1Cc1ccccc1 ZINC000237529198 497251391 /nfs/dbraw/zinc/25/13/91/497251391.db2.gz PLVYQKPQLVQXDU-UWJYYQICSA-N 2 0 351.494 3.270 20 0 FGADRP C[C@@H]1C[C@H](N(C)C(=O)[C@@H]([NH3+])c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000237585795 497259000 /nfs/dbraw/zinc/25/90/00/497259000.db2.gz RMTMNYAXHGZNRK-UIFIKXQLSA-N 2 0 351.494 3.198 20 0 FGADRP Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)[C@H]([NH3+])c1ccccc1 ZINC000237592331 497260542 /nfs/dbraw/zinc/26/05/42/497260542.db2.gz JDVGNEQDNDTHGY-LJQANCHMSA-N 2 0 355.507 3.182 20 0 FGADRP CCCN(CCC[NH+](C)C)C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000189847514 497266209 /nfs/dbraw/zinc/26/62/09/497266209.db2.gz AGLFYUOSGROYTM-UHFFFAOYSA-N 2 0 352.567 3.157 20 0 FGADRP CN(CCC[N@H+](C)Cc1ccncc1)C(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC000572126853 505896337 /nfs/dbraw/zinc/89/63/37/505896337.db2.gz OOBHCMBTQRYWGV-FQEVSTJZSA-N 2 0 372.557 3.017 20 0 FGADRP C[C@]([NH3+])(C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1)c1ccccc1 ZINC000237660503 497270615 /nfs/dbraw/zinc/27/06/15/497270615.db2.gz HDTRJPAMLHIDLN-JOCHJYFZSA-N 2 0 351.494 3.163 20 0 FGADRP C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N2CC[C@@H](C[NH+](C)C)C2)C1 ZINC000251503018 497273955 /nfs/dbraw/zinc/27/39/55/497273955.db2.gz FRXIQEGGSRVAKM-OALUTQOASA-N 2 0 372.557 3.012 20 0 FGADRP CCCN(CCC[NH+](C)C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000189872881 497275564 /nfs/dbraw/zinc/27/55/64/497275564.db2.gz XOSCWQMDAUDXDH-TZIWHRDSSA-N 2 0 374.573 3.413 20 0 FGADRP C[C@@H](C(=O)NCC1CC[NH+](Cc2cccs2)CC1)[C@H]([NH3+])c1ccccc1 ZINC000237704741 497278808 /nfs/dbraw/zinc/27/88/08/497278808.db2.gz GSTOMNWKNIYANP-UZLBHIALSA-N 2 0 371.550 3.412 20 0 FGADRP Cc1cc(NC(=O)[C@H](C[NH3+])c2ccccc2)ccc1OCC[NH+]1CCCC1 ZINC000237721732 497282052 /nfs/dbraw/zinc/28/20/52/497282052.db2.gz KQTSSGPRNOWMBH-HXUWFJFHSA-N 2 0 367.493 3.151 20 0 FGADRP [NH3+][C@@H](C(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1)c1ccccc1 ZINC000237814367 497296374 /nfs/dbraw/zinc/29/63/74/497296374.db2.gz VIWVWHFAVOEXCW-HXUWFJFHSA-N 2 0 371.912 3.368 20 0 FGADRP [NH3+]CC1(C(=O)NC[C@@H](c2c(F)cccc2Cl)N2CCCC2)CCCC1 ZINC000238054271 497333732 /nfs/dbraw/zinc/33/37/32/497333732.db2.gz UFTLVNBPPCCQSQ-INIZCTEOSA-N 2 0 367.896 3.251 20 0 FGADRP c1cc(CCC[NH+]2CCC(OCC[NH+]3CCCC3)CC2)cc2c1OCC2 ZINC000193254789 497334334 /nfs/dbraw/zinc/33/43/34/497334334.db2.gz SMBVZXCVVBSKTB-UHFFFAOYSA-N 2 0 358.526 3.131 20 0 FGADRP [NH3+]C[C@H]1CCCN1C(=O)c1ccc(SCc2cn3ccccc3n2)cc1 ZINC000238055899 497334380 /nfs/dbraw/zinc/33/43/80/497334380.db2.gz QKDKZXUUEAYBRA-QGZVFWFLSA-N 2 0 366.490 3.190 20 0 FGADRP CCOC(=O)N1CC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000193300313 497343842 /nfs/dbraw/zinc/34/38/42/497343842.db2.gz GTSPNQWSAKCTJB-XUBOLADHSA-N 2 0 357.498 3.002 20 0 FGADRP C[C@H](C(=O)NCC1CC[NH+](Cc2cccs2)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000245200991 497376137 /nfs/dbraw/zinc/37/61/37/497376137.db2.gz DUGSFWFELXPHPR-BRWVUGGUSA-N 2 0 363.571 3.338 20 0 FGADRP COc1cc2c(cc1C[NH2+]CC1CCN(c3cc[nH+]cc3)CC1)O[C@@H](C)C2 ZINC000569308081 505902883 /nfs/dbraw/zinc/90/28/83/505902883.db2.gz IDZBVXKKWOULHW-INIZCTEOSA-N 2 0 367.493 3.420 20 0 FGADRP CCC[N@H+](CC)CCNC(=O)N(C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000245438847 497407164 /nfs/dbraw/zinc/40/71/64/497407164.db2.gz YQNWSCWHFIRWGE-FPOVZHCZSA-N 2 0 374.573 3.413 20 0 FGADRP C[NH+](C)CCc1ccccc1NC(=O)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000275698423 497407344 /nfs/dbraw/zinc/40/73/44/497407344.db2.gz SFNFJSSLZJOXNF-OAQYLSRUSA-N 2 0 351.494 3.394 20 0 FGADRP COc1ccc(Cl)cc1NC(=O)[C@H](C)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000245443522 497410030 /nfs/dbraw/zinc/41/00/30/497410030.db2.gz IVSCDGDWHBNLKB-GOEBONIOSA-N 2 0 367.921 3.482 20 0 FGADRP Cc1ccc(NC(=O)NC(=O)[C@H](C)N(C)CC[C@H]2CCCC[N@@H+]2C)c(C)c1 ZINC000245450959 497413752 /nfs/dbraw/zinc/41/37/52/497413752.db2.gz PBOAGCZONKQHMI-ZWKOTPCHSA-N 2 0 374.529 3.146 20 0 FGADRP C[C@H](CC(=O)N[C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH2+]C1 ZINC000261575360 497415825 /nfs/dbraw/zinc/41/58/25/497415825.db2.gz BNELUSGHNHJGRL-VURPSTOHSA-N 2 0 357.542 3.039 20 0 FGADRP C/C(=C\c1ccccc1OC(F)F)C[NH2+]CCCC[NH+]1CCOCC1 ZINC000578285786 505905210 /nfs/dbraw/zinc/90/52/10/505905210.db2.gz VPRMVCRZUZVYDC-JQIJEIRASA-N 2 0 354.441 3.393 20 0 FGADRP COc1ccc([C@@H](C)[NH2+]CCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1OC ZINC000245461280 497417839 /nfs/dbraw/zinc/41/78/39/497417839.db2.gz MWELCNNOCPCGFV-IXDOHACOSA-N 2 0 350.503 3.244 20 0 FGADRP CN(C(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000261607233 497418550 /nfs/dbraw/zinc/41/85/50/497418550.db2.gz ROLSWYLQZKYVPU-TYPHKJRUSA-N 2 0 355.526 3.030 20 0 FGADRP CC(C)N1CC[C@H]([NH2+]Cc2ccccc2C[N@H+]2C[C@H](C)C[C@H](C)C2)C1=O ZINC000245461766 497418708 /nfs/dbraw/zinc/41/87/08/497418708.db2.gz GBIMPNXRTRDKNV-UEXGIBASSA-N 2 0 357.542 3.263 20 0 FGADRP Ic1ccc([C@H]2CCCN2C[C@H]2CCC[NH2+]C2)cc1 ZINC000261658861 497428724 /nfs/dbraw/zinc/42/87/24/497428724.db2.gz BNMYMGGWXNMEIJ-XJKSGUPXSA-N 2 0 370.278 3.428 20 0 FGADRP O=C(NC[C@@H]1CCCN(Cc2cccc(Cl)c2Cl)C1)[C@@H]1CCC[NH2+]1 ZINC000261772476 497448589 /nfs/dbraw/zinc/44/85/89/497448589.db2.gz XAZQDBXMWRGOEU-BBRMVZONSA-N 2 0 370.324 3.074 20 0 FGADRP C[C@H]1CCN(CC(=O)N(C)c2nc3ccccc3s2)C[C@H]1n1ccnc1 ZINC000245585324 497464771 /nfs/dbraw/zinc/46/47/71/497464771.db2.gz JPZMAMABNIZFMX-GOEBONIOSA-N 2 0 369.494 3.039 20 0 FGADRP CC1CC[NH+](CCCCNC(=O)N2CCC(C[NH+]3CCCC3)CC2)CC1 ZINC000193742270 497465552 /nfs/dbraw/zinc/46/55/52/497465552.db2.gz XXBPEACVMPARFH-UHFFFAOYSA-N 2 0 364.578 3.016 20 0 FGADRP C[N@H+](Cc1ccccc1CNC(=O)CC[C@H]1CC[NH2+]C1)C1CCCCC1 ZINC000261875379 497465888 /nfs/dbraw/zinc/46/58/88/497465888.db2.gz RECLXSDEBAKSDZ-SFHVURJKSA-N 2 0 357.542 3.457 20 0 FGADRP CCn1ccnc1CN(Cc1ccc(C)c(OC)c1)[C@H]1CC12CC[NH2+]CC2 ZINC000261914629 497474654 /nfs/dbraw/zinc/47/46/54/497474654.db2.gz JQVCUNKDXOMSGW-FQEVSTJZSA-N 2 0 368.525 3.364 20 0 FGADRP FC(F)(F)c1ccn(-c2ccc(C[N@@H+]3CC[C@@]4(CC[NH2+]C4)C3)cc2)n1 ZINC000261935267 497478618 /nfs/dbraw/zinc/47/86/18/497478618.db2.gz DDNJBFZSIFQVET-QGZVFWFLSA-N 2 0 350.388 3.077 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)[C@H]3CC34CC[NH2+]CC4)cc2)C1 ZINC000261965222 497484154 /nfs/dbraw/zinc/48/41/54/497484154.db2.gz SQSQOZJCTPZOJQ-LVCYWYKZSA-N 2 0 369.553 3.170 20 0 FGADRP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]CCCOC[C@H]2CCCO2)C3)cc1 ZINC000245650368 497488113 /nfs/dbraw/zinc/48/81/13/497488113.db2.gz CIJIRKCQZYAJNI-CIAFKFPVSA-N 2 0 358.526 3.357 20 0 FGADRP CC[C@H](NC(=O)C[NH+]1CCC(CC[NH2+]C)CC1)c1ccc(Cl)cc1 ZINC000261991451 497488851 /nfs/dbraw/zinc/48/88/51/497488851.db2.gz MAURWFMMWHETAM-SFHVURJKSA-N 2 0 351.922 3.229 20 0 FGADRP C[N@@H+]1CC[C@H](NC(=O)NCCCCC[NH+]2CCCCC2)[C@H]1c1ccccc1 ZINC000245658946 497491205 /nfs/dbraw/zinc/49/12/05/497491205.db2.gz PDFBQKLNRGBOAU-LEWJYISDSA-N 2 0 372.557 3.387 20 0 FGADRP O=C(Nc1ccc(F)c(Cl)c1)C1CC[NH+](C[C@@H]2CCC[NH2+]C2)CC1 ZINC000262022006 497494138 /nfs/dbraw/zinc/49/41/38/497494138.db2.gz WGISKBDVUKKCJU-CYBMUJFWSA-N 2 0 353.869 3.129 20 0 FGADRP O[C@@H](C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)Cc1ccccc1 ZINC000245671753 497495129 /nfs/dbraw/zinc/49/51/29/497495129.db2.gz HLPWQAVQHNQLMJ-KAOXLYBCSA-N 2 0 350.506 3.375 20 0 FGADRP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]CCCc2nccs2)CC1 ZINC000572191326 505910585 /nfs/dbraw/zinc/91/05/85/505910585.db2.gz OPKKOERPPHUZCJ-UHFFFAOYSA-N 2 0 364.946 3.271 20 0 FGADRP C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)[C@H]([NH3+])Cc2ccccc2)C1 ZINC000262079141 497504665 /nfs/dbraw/zinc/50/46/65/497504665.db2.gz AQCBGBICVKFFNM-XMSQKQJNSA-N 2 0 365.521 3.105 20 0 FGADRP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(C)c(OCC(=O)OC)c(C)c2)[C@@H](C)C1 ZINC000245694903 497505246 /nfs/dbraw/zinc/50/52/46/497505246.db2.gz CDBTVZXNQSTMGT-PKOBYXMFSA-N 2 0 362.514 3.017 20 0 FGADRP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(OCc3noc(C)n3)cc2)[C@@H](C)C1 ZINC000245707505 497511223 /nfs/dbraw/zinc/51/12/23/497511223.db2.gz FIVBXEXYYUPLFO-KXBFYZLASA-N 2 0 358.486 3.119 20 0 FGADRP CC(C)[NH+]1CCC(NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000267369456 497534570 /nfs/dbraw/zinc/53/45/70/497534570.db2.gz SKROTCBEDOPHLR-WIYYLYMNSA-N 2 0 372.557 3.069 20 0 FGADRP OC[C@H]1CCC[N@@H+]1CCCC[NH2+][C@H]1CCc2ccc(Br)cc21 ZINC000193983022 497538779 /nfs/dbraw/zinc/53/87/79/497538779.db2.gz GMZDLODJMRGRRC-AEFFLSMTSA-N 2 0 367.331 3.263 20 0 FGADRP C[C@@H]1C[NH+](Cc2ccccc2C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCC3)C[C@@H](C)O1 ZINC000194002240 497545351 /nfs/dbraw/zinc/54/53/51/497545351.db2.gz QYRUXWJFDDHRIH-FXJJGOGXSA-N 2 0 370.537 3.343 20 0 FGADRP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000245831489 497545854 /nfs/dbraw/zinc/54/58/54/497545854.db2.gz BTCUDXCNPDUIIK-TZIWHRDSSA-N 2 0 372.557 3.167 20 0 FGADRP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCC(C)CC1)C(=O)NCC(F)(F)F ZINC000194017660 497549583 /nfs/dbraw/zinc/54/95/83/497549583.db2.gz IGUJQULKSKSFPX-OAHLLOKOSA-N 2 0 371.447 3.075 20 0 FGADRP C[N@@H+]1CCN(CCC[NH2+][C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)[C@@H](c2ccccc2)C1 ZINC000245897333 497563639 /nfs/dbraw/zinc/56/36/39/497563639.db2.gz NHFWUEMQXFIWAL-DXBBTUNJSA-N 2 0 371.569 3.158 20 0 FGADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NCC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC000245913381 497569429 /nfs/dbraw/zinc/56/94/29/497569429.db2.gz XMSUVANVZSMETP-RLLQIKCJSA-N 2 0 372.557 3.384 20 0 FGADRP Cc1nn(C)c2ncc(C[NH2+][C@H](C)[C@H]3CC[N@H+](Cc4ccccc4)C3)cc12 ZINC000272232143 497572415 /nfs/dbraw/zinc/57/24/15/497572415.db2.gz URPGBWVNWFIPSJ-UZLBHIALSA-N 2 0 363.509 3.277 20 0 FGADRP CC[NH+]1CCN(Cc2ccc(C[NH2+][C@@H]3[C@H]4CCCO[C@H]4C3(C)C)cc2)CC1 ZINC000245961870 497584735 /nfs/dbraw/zinc/58/47/35/497584735.db2.gz YHBKBFZJWOMKQE-YPAWHYETSA-N 2 0 371.569 3.117 20 0 FGADRP CCc1ccc([C@H](CNC(=O)[C@@H](C)[C@H]([NH3+])c2ccccc2)[NH+](C)C)cc1 ZINC000262645660 497591076 /nfs/dbraw/zinc/59/10/76/497591076.db2.gz NLGOACRRVNVQOD-NDXORKPFSA-N 2 0 353.510 3.304 20 0 FGADRP O[C@H](Cc1ccc(C(F)(F)F)cc1)C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000246085436 497616924 /nfs/dbraw/zinc/61/69/24/497616924.db2.gz HNDQDLCAOOIZNH-PKOBYXMFSA-N 2 0 370.459 3.417 20 0 FGADRP COc1cccc2cc([C@@H](C)[NH2+]C[C@@H](C(C)C)N3CC[NH+](C)CC3)oc21 ZINC000194261691 497617108 /nfs/dbraw/zinc/61/71/08/497617108.db2.gz LTVSCVYMEWXKLM-AEFFLSMTSA-N 2 0 359.514 3.364 20 0 FGADRP C=Cn1cc(C[NH2+][C@H](C)c2cc(F)ccc2N2CC[NH+](CC)CC2)cn1 ZINC000194293985 497626993 /nfs/dbraw/zinc/62/69/93/497626993.db2.gz PFUVXGMFVWTWEL-MRXNPFEDSA-N 2 0 357.477 3.115 20 0 FGADRP CCC[N@H+](C)C[C@@H]1CC[NH+](C[C@@H](O)Cc2ccc(C(F)(F)F)cc2)C1 ZINC000246155060 497639468 /nfs/dbraw/zinc/63/94/68/497639468.db2.gz WHUOPOFIDLBMQG-WMZOPIPTSA-N 2 0 358.448 3.273 20 0 FGADRP COc1ccccc1[C@H](CNC(=O)[C@H]1CCCC[C@]1(C)[NH3+])[NH+]1CCCCC1 ZINC000262905129 497651831 /nfs/dbraw/zinc/65/18/31/497651831.db2.gz FATLZWFZPZSCFA-DXIQSLLYSA-N 2 0 373.541 3.246 20 0 FGADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)C1 ZINC000246198603 497656999 /nfs/dbraw/zinc/65/69/99/497656999.db2.gz MVIBKDMQAMWPPV-PZJWPPBQSA-N 2 0 372.557 3.197 20 0 FGADRP C[NH+](C)Cc1cc(C[NH2+]C2CCN(CCC(F)(F)F)CC2)ccc1F ZINC000272623139 497681932 /nfs/dbraw/zinc/68/19/32/497681932.db2.gz YNKYENVMNZWWDS-UHFFFAOYSA-N 2 0 361.427 3.394 20 0 FGADRP COc1ccc2c(c1)CCC[C@@H]2[NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000246349304 497703617 /nfs/dbraw/zinc/70/36/17/497703617.db2.gz HOWYUTZLGACZOK-FDFHNCONSA-N 2 0 358.526 3.430 20 0 FGADRP C[C@H]([NH2+]CCc1nnc2n1CCCCC2)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272695451 497703935 /nfs/dbraw/zinc/70/39/35/497703935.db2.gz WYNPOTABAQXYOO-AZUAARDMSA-N 2 0 367.541 3.047 20 0 FGADRP C[C@@H](NC(=O)NCC(C)(C)[NH2+][C@H](C)c1ccccc1)C1=CC[N@H+](C)CC1 ZINC000272721686 497711987 /nfs/dbraw/zinc/71/19/87/497711987.db2.gz JFJFWRQYMBPSJD-IAGOWNOFSA-N 2 0 358.530 3.065 20 0 FGADRP C[C@@H]1C[C@H](NC(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000246409116 497724556 /nfs/dbraw/zinc/72/45/56/497724556.db2.gz DYTCHRQKVKHOJN-CWJKEVGVSA-N 2 0 372.557 3.212 20 0 FGADRP Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)[C@H]1CCCC[C@@]1(C)[NH3+] ZINC000263204760 497731953 /nfs/dbraw/zinc/73/19/53/497731953.db2.gz JOIALOSXQAHGBY-YLJYHZDGSA-N 2 0 361.555 3.390 20 0 FGADRP Cc1cc(NC(=O)C2CC[NH+](C3CC3)CC2)ccc1OCC[NH+]1CCCC1 ZINC000194673330 497735899 /nfs/dbraw/zinc/73/58/99/497735899.db2.gz UIVOCZVVDOOEQF-UHFFFAOYSA-N 2 0 371.525 3.283 20 0 FGADRP C[C@@]1([NH3+])CCCC[C@@H]1C(=O)N1CCCN(Cc2ccc(Cl)cc2)CC1 ZINC000263237871 497739562 /nfs/dbraw/zinc/73/95/62/497739562.db2.gz OGSZMGDNABTYGQ-UYAOXDASSA-N 2 0 363.933 3.282 20 0 FGADRP CCCCOc1cc(C[NH2+]CC2(O)CC[NH+](C(C)C)CC2)ccc1OC ZINC000268399663 497741404 /nfs/dbraw/zinc/74/14/04/497741404.db2.gz BSFXCEXKTPDOJV-UHFFFAOYSA-N 2 0 364.530 3.199 20 0 FGADRP COc1ccc([C@@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CC[C@H](O)C2)cc1C ZINC000272854472 497745430 /nfs/dbraw/zinc/74/54/30/497745430.db2.gz IGQDMQSILKNYBH-UTKZUKDTSA-N 2 0 354.494 3.421 20 0 FGADRP C[C@H](C(=O)NC[C@@H](C)c1ccccc1)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000194737900 497755530 /nfs/dbraw/zinc/75/55/30/497755530.db2.gz AKEGYSFYFNRPKJ-RTBURBONSA-N 2 0 357.542 3.103 20 0 FGADRP C[C@@H]1CCC[N@H+](CCNC(=O)N[C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000246578982 497780511 /nfs/dbraw/zinc/78/05/11/497780511.db2.gz TVOQUUCESQAKBT-DYXWJJEUSA-N 2 0 372.557 3.071 20 0 FGADRP CC1CC[NH+](C2CCC(NC(=O)N(C)[C@@H]3CC[N@H+](C)[C@@H](C)C3)CC2)CC1 ZINC000246667855 497797431 /nfs/dbraw/zinc/79/74/31/497797431.db2.gz UVSZMWGZJIXJGP-DCCYDQLOSA-N 2 0 364.578 3.154 20 0 FGADRP COc1ccc([C@H]2C[C@@H]2[C@@H](C)[NH2+]C[C@@H](C(C)C)N2CC[NH+](C)CC2)cc1 ZINC000284597178 497839224 /nfs/dbraw/zinc/83/92/24/497839224.db2.gz ZZGROSYITKQECK-CIQXWFTPSA-N 2 0 359.558 3.049 20 0 FGADRP Cc1cn2c(n1)CC[C@@H]([NH2+][C@@H]1C[C@H]3CC[C@@H](C1)[N@H+]3Cc1ccccc1)C2 ZINC000364242262 497858226 /nfs/dbraw/zinc/85/82/26/497858226.db2.gz GNECIWDUYIEPCB-NCYKPQTJSA-N 2 0 350.510 3.292 20 0 FGADRP CN(C(=O)CC1CC[NH2+]CC1)C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000364245093 497859869 /nfs/dbraw/zinc/85/98/69/497859869.db2.gz HFFFOQQCCQTSEB-WCRBZPEASA-N 2 0 355.526 3.030 20 0 FGADRP Cc1cc(C)cc(NC(=[NH2+])NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cnn(C)c2)c1 ZINC000364268988 497871649 /nfs/dbraw/zinc/87/16/49/497871649.db2.gz YDNNKPWCZVYFKV-LPHOPBHVSA-N 2 0 354.502 3.056 20 0 FGADRP C[N@@H+]1CC[C@]2(CC[NH+](CCC(=O)Nc3cccc(C(F)(F)F)c3)C2)C1 ZINC000292119683 497886680 /nfs/dbraw/zinc/88/66/80/497886680.db2.gz KDLABJAYYHXNRH-KRWDZBQOSA-N 2 0 355.404 3.062 20 0 FGADRP CC(C)[NH+]1CCN(C2CC[NH+](CCCc3ccc4c(c3)CCO4)CC2)CC1 ZINC000280818568 497909425 /nfs/dbraw/zinc/90/94/25/497909425.db2.gz JUSGJEYNQLIWTN-UHFFFAOYSA-N 2 0 371.569 3.045 20 0 FGADRP Cc1cccc(C(=O)N2CCC[N@H+](CCCc3cnccc3C)CC2)c1 ZINC000289009424 497978196 /nfs/dbraw/zinc/97/81/96/497978196.db2.gz FNKBQBRSCGTKJZ-UHFFFAOYSA-N 2 0 351.494 3.479 20 0 FGADRP CN(C(=O)NCc1ccccc1C[NH+]1CCCC1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000289021413 497982230 /nfs/dbraw/zinc/98/22/30/497982230.db2.gz IHBBCEOLPSIMCA-WCRBZPEASA-N 2 0 370.541 3.049 20 0 FGADRP C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000289074641 498004981 /nfs/dbraw/zinc/00/49/81/498004981.db2.gz NFBYUXARWBNAST-GHTZIAJQSA-N 2 0 370.541 3.051 20 0 FGADRP CC[N@@H+](Cc1ccc2c(c1)C[NH2+]CC2)CC1CCN(c2ccccn2)CC1 ZINC000572413810 505963662 /nfs/dbraw/zinc/96/36/62/505963662.db2.gz VUDZPKKIWRGNOU-UHFFFAOYSA-N 2 0 364.537 3.466 20 0 FGADRP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)NC[C@H]2[NH2+]CCCC2(C)C)CC1 ZINC000569558643 505963919 /nfs/dbraw/zinc/96/39/19/505963919.db2.gz BSJCDBMOGJEWPS-FXAWDEMLSA-N 2 0 372.557 3.289 20 0 FGADRP C[N@@H+]1CCC[C@@H](N2CCN(CCOc3ccc(Cl)cc3Cl)CC2)C1 ZINC000364547551 498016778 /nfs/dbraw/zinc/01/67/78/498016778.db2.gz RNJIFZOEWPEHPH-MRXNPFEDSA-N 2 0 372.340 3.084 20 0 FGADRP C[S@](=O)C1(C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CCC1 ZINC000281219127 498060653 /nfs/dbraw/zinc/06/06/53/498060653.db2.gz ZJXCEPSSBOMVOV-OZAHESQGSA-N 2 0 360.567 3.178 20 0 FGADRP C[C@H](OC[C@@H](O)C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C)c1ccc(Cl)cc1 ZINC000285410742 498075523 /nfs/dbraw/zinc/07/55/23/498075523.db2.gz FVIILVIDBNXKGS-GICJRAOTSA-N 2 0 366.933 3.336 20 0 FGADRP CC1(C)CCC[NH2+][C@H]1C(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000569606541 505975297 /nfs/dbraw/zinc/97/52/97/505975297.db2.gz GBEJYONCIIQUOX-SFHVURJKSA-N 2 0 363.933 3.199 20 0 FGADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000285458174 498091803 /nfs/dbraw/zinc/09/18/03/498091803.db2.gz ZUQJYIYAXRBQBF-RDABAPPSSA-N 3 0 372.601 3.045 20 0 FGADRP CC[C@H](CO)[NH+]1CCN(c2cc(C)[nH+]c3ccc(OC(F)F)cc32)CC1 ZINC000301421925 498102523 /nfs/dbraw/zinc/10/25/23/498102523.db2.gz CYJOOIJQMOOTQU-CQSZACIVSA-N 2 0 365.424 3.038 20 0 FGADRP C[C@@H](CNC(=O)NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)[NH+](C)C1CC1 ZINC000581402590 505979588 /nfs/dbraw/zinc/97/95/88/505979588.db2.gz STLLFUHZWYBZKK-ICSRJNTNSA-N 2 0 372.557 3.071 20 0 FGADRP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000364767642 498134301 /nfs/dbraw/zinc/13/43/01/498134301.db2.gz BOSMWSVQTVGLSK-QMMLZNLJSA-N 2 0 370.541 3.138 20 0 FGADRP C[C@@H]([NH3+])C1CCN(C(=O)NCc2ccccc2C[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000569675749 505990507 /nfs/dbraw/zinc/99/05/07/505990507.db2.gz TUFHCTRNXVLDDG-ZWKOTPCHSA-N 2 0 372.557 3.330 20 0 FGADRP C[N@@H+]1CCC[C@@H](CNC(=O)CC2CC[NH2+]CC2)[C@H]1c1cccc(Cl)c1 ZINC000364852387 498172847 /nfs/dbraw/zinc/17/28/47/498172847.db2.gz UAIGUFKZJLPGLI-FXAWDEMLSA-N 2 0 363.933 3.229 20 0 FGADRP CC[NH+](CC)[C@H](C(=O)N[C@@H](C)C[C@H](C)[NH3+])c1cccc(C(F)(F)F)c1 ZINC000578656307 505990874 /nfs/dbraw/zinc/99/08/74/505990874.db2.gz PVWKNVFRSHZVMI-XEZPLFJOSA-N 2 0 359.436 3.330 20 0 FGADRP c1cc2nccc(N3C[C@@H]4[C@H](C3)OCCN4Cc3ccccc3)c2s1 ZINC000301659573 498210001 /nfs/dbraw/zinc/21/00/01/498210001.db2.gz TVDIFHAUZSLORZ-MOPGFXCFSA-N 2 0 351.475 3.386 20 0 FGADRP c1cc2nccc(N3C[C@H]4OCCN(Cc5ccccc5)[C@H]4C3)c2s1 ZINC000301659580 498210404 /nfs/dbraw/zinc/21/04/04/498210404.db2.gz TVDIFHAUZSLORZ-RBUKOAKNSA-N 2 0 351.475 3.386 20 0 FGADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]C[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000289679734 498245080 /nfs/dbraw/zinc/24/50/80/498245080.db2.gz MSZSAUXJEQZIHB-CVEARBPZSA-N 2 0 357.464 3.425 20 0 FGADRP C[C@H](CC(=O)N1CCCC[C@H]1[C@H](C[NH3+])Cc1ccccc1)C1CC[NH2+]CC1 ZINC000364999129 498248269 /nfs/dbraw/zinc/24/82/69/498248269.db2.gz DIILNRYDPARLFQ-COPCDDAFSA-N 2 0 371.569 3.211 20 0 FGADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+]CCCNC(=O)C2CCC2)CC1 ZINC000285946047 498249236 /nfs/dbraw/zinc/24/92/36/498249236.db2.gz DRULFZANPSPZAU-UHFFFAOYSA-N 2 0 357.542 3.326 20 0 FGADRP C[C@H](C(=O)Nc1ccccc1OC(F)F)N1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000293056402 498251844 /nfs/dbraw/zinc/25/18/44/498251844.db2.gz UIUZBNLWZGLJJL-AUUYWEPGSA-N 2 0 367.440 3.033 20 0 FGADRP C[C@@H]1C[N@@H+](CCCC[NH2+][C@@H]2CCC(=O)Nc3ccc(F)cc32)C[C@H](C)O1 ZINC000360696809 498298497 /nfs/dbraw/zinc/29/84/97/498298497.db2.gz FKJIFQMYQZATLC-RVKKMQEKSA-N 2 0 363.477 3.078 20 0 FGADRP COCCC[C@H]([NH2+]C[C@H](C(C)C)N1CC[NH+](C)CC1)c1ccc(F)cc1 ZINC000281888299 498306528 /nfs/dbraw/zinc/30/65/28/498306528.db2.gz GVRNNRSYBOJKBJ-LEWJYISDSA-N 2 0 365.537 3.155 20 0 FGADRP C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@@H]1[NH2+]CCc1csc(C(C)(C)C)n1 ZINC000360813109 498313986 /nfs/dbraw/zinc/31/39/86/498313986.db2.gz WCMQLUYIZOMXLH-NXHRZFHOSA-N 2 0 365.587 3.462 20 0 FGADRP Cc1cccc2[nH]cc(CC[NH2+][C@@H]3CC[N@@H+](C[C@H]4CCCO4)C[C@@H]3C)c21 ZINC000360873453 498318850 /nfs/dbraw/zinc/31/88/50/498318850.db2.gz WWOKOWVKEWNHLI-DFQSSKMNSA-N 2 0 355.526 3.498 20 0 FGADRP CC(C)[C@H](C(=O)NCCCC[NH+]1CCC(Cc2ccccc2)CC1)[C@H](C)[NH3+] ZINC000572637907 506018141 /nfs/dbraw/zinc/01/81/41/506018141.db2.gz BYFDLKCJOOVHIT-UGKGYDQZSA-N 2 0 373.585 3.457 20 0 FGADRP Cc1cc([C@@H](C)[NH2+]C[C@@H](C)CN2CC[NH+](C)CC2)sc1Br ZINC000286291582 498352294 /nfs/dbraw/zinc/35/22/94/498352294.db2.gz CBKRXQHBPXWPBR-TZMCWYRMSA-N 2 0 374.392 3.353 20 0 FGADRP CC[NH+]1CCN([C@@H]2CC[N@H+](CCn3ccc4cc(Cl)ccc43)C2)CC1 ZINC000290032945 498402441 /nfs/dbraw/zinc/40/24/41/498402441.db2.gz QIXBNHMFNPQTOO-LJQANCHMSA-N 2 0 360.933 3.007 20 0 FGADRP C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)[C@@H]1c1cccs1 ZINC000361717103 498423147 /nfs/dbraw/zinc/42/31/47/498423147.db2.gz AXUIBBQJUFXXSI-WAXPSYRMSA-N 2 0 361.555 3.168 20 0 FGADRP NC(=O)[C@H]1CCC[N@H+](Cc2cccc(C[NH2+]C3CCC4(CC4)CC3)c2)C1 ZINC000581642916 506034856 /nfs/dbraw/zinc/03/48/56/506034856.db2.gz KWSYHBWXTZJEFN-IBGZPJMESA-N 2 0 355.526 3.196 20 0 FGADRP C[C@@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)c1cccc(-c2ccncc2)c1 ZINC000282307749 498461425 /nfs/dbraw/zinc/46/14/25/498461425.db2.gz MUNKPBIIPBMRKV-GOSISDBHSA-N 2 0 352.526 3.425 20 0 FGADRP C[C@@H]1C[C@H]([NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)C[C@H](C)O1 ZINC000575953241 506040299 /nfs/dbraw/zinc/04/02/99/506040299.db2.gz MBLZVMJFLDAPMF-KIZRIRGWSA-N 2 0 372.553 3.461 20 0 FGADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000331860729 498478611 /nfs/dbraw/zinc/47/86/11/498478611.db2.gz YMNASNLYAAFDEK-NUJGCVRESA-N 2 0 372.513 3.245 20 0 FGADRP COc1cccc(OC)c1OCCCC[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000290275790 498490816 /nfs/dbraw/zinc/49/08/16/498490816.db2.gz LVMLLUPCFFYODD-QGZVFWFLSA-N 2 0 350.503 3.136 20 0 FGADRP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2cccc(I)c2)C1 ZINC000302502420 498495335 /nfs/dbraw/zinc/49/53/35/498495335.db2.gz ALJXGFGBKNOVBT-CQSZACIVSA-N 2 0 358.267 3.111 20 0 FGADRP C[N@@H+]1CCC[C@]2(CCN(C(=O)c3ccc(C[NH+]4CCCCC4)cc3)C2)C1 ZINC000293852621 498511299 /nfs/dbraw/zinc/51/12/99/498511299.db2.gz DEVLLDZFXRIOQT-QFIPXVFZSA-N 2 0 355.526 3.230 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2Cc3[nH]c4ccccc4c3C2)[C@@H](C)C1 ZINC000282494861 498534667 /nfs/dbraw/zinc/53/46/67/498534667.db2.gz XROIMBFDUIVXKC-ZWOKBUDYSA-N 2 0 355.526 3.362 20 0 FGADRP CCC[NH+]1CCN(C2CC[NH+](CCCc3cccc(OC)c3)CC2)CC1 ZINC000365570278 498537816 /nfs/dbraw/zinc/53/78/16/498537816.db2.gz NMLWYOLIPCMVSE-UHFFFAOYSA-N 2 0 359.558 3.120 20 0 FGADRP Cc1nccn1CCCN(C)Cc1nc2ccccn2c1Br ZINC000290454573 498559788 /nfs/dbraw/zinc/55/97/88/498559788.db2.gz MNERDFPWDYLPSB-UHFFFAOYSA-N 2 0 362.275 3.124 20 0 FGADRP C[C@H](C[C@H](C)[NH3+])NC(=O)Nc1cc(Cl)ccc1OC1CC[NH+](C)CC1 ZINC000581824494 506067904 /nfs/dbraw/zinc/06/79/04/506067904.db2.gz MULHUJFFPFNEEX-QWHCGFSZSA-N 2 0 368.909 3.060 20 0 FGADRP CCOCCOCc1cccc(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000298223330 498700394 /nfs/dbraw/zinc/70/03/94/498700394.db2.gz APINXOVKKRXYOC-UHFFFAOYSA-N 2 0 369.509 3.393 20 0 FGADRP c1cc(N2CCC([NH2+]Cc3ccc(C[NH+]4CCCC4)cc3)CC2)cc[nH+]1 ZINC000298321157 498732327 /nfs/dbraw/zinc/73/23/27/498732327.db2.gz IJWAHNCUNYAOKU-UHFFFAOYSA-N 3 0 350.510 3.436 20 0 FGADRP O=C(c1ccc(C[NH+]2CCCCC2)cc1)N1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000363260485 498732902 /nfs/dbraw/zinc/73/29/02/498732902.db2.gz WSPYAOAXNLXMEQ-BDTNDASRSA-N 2 0 367.537 3.229 20 0 FGADRP C[NH+](C)CCCC1CC[NH+](C[C@@H]2CCN(C(=O)c3ccccc3)C2)CC1 ZINC000283070541 498767597 /nfs/dbraw/zinc/76/75/97/498767597.db2.gz KBMKLOWTLAGUJX-FQEVSTJZSA-N 2 0 357.542 3.203 20 0 FGADRP O=C(Nc1ccc(CC[NH+]2CCCCC2)cc1)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000363373020 498786293 /nfs/dbraw/zinc/78/62/93/498786293.db2.gz AVUHHLGMTBOTGS-LEWJYISDSA-N 2 0 370.541 3.463 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)NC[C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000572944663 506089914 /nfs/dbraw/zinc/08/99/14/506089914.db2.gz WMSNJWWSIXQXLF-MISYRCLQSA-N 2 0 364.578 3.190 20 0 FGADRP C[C@@H]([NH2+]Cc1ccc(F)c(C[NH+](C)C)c1)c1cccc(-n2ccnn2)c1 ZINC000287595747 498807443 /nfs/dbraw/zinc/80/74/43/498807443.db2.gz IHUFCLARDKXUEJ-OAHLLOKOSA-N 2 0 353.445 3.319 20 0 FGADRP C[C@H](C[NH2+]C[C@H](O)COc1cc(Cl)ccc1Cl)C[NH+]1CCCC1 ZINC000320698301 498808678 /nfs/dbraw/zinc/80/86/78/498808678.db2.gz HVJRKOXHELPCKW-HIFRSBDPSA-N 2 0 361.313 3.055 20 0 FGADRP CCOc1cc(C[NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)ccc1O ZINC000298591899 498823590 /nfs/dbraw/zinc/82/35/90/498823590.db2.gz YMQDUSMGQOWBDG-UHFFFAOYSA-N 2 0 370.493 3.037 20 0 FGADRP O=C(NCCC[NH+]1CCCCC1)C1CC[NH+]([C@@H]2C[C@@H]2c2ccccc2)CC1 ZINC000291180677 498831417 /nfs/dbraw/zinc/83/14/17/498831417.db2.gz OFFFBOXNPAQDRR-FGZHOGPDSA-N 2 0 369.553 3.247 20 0 FGADRP OC1(CC[NH2+][C@@H]2CCCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CCOCC1 ZINC000287692510 498839307 /nfs/dbraw/zinc/83/93/07/498839307.db2.gz WTLMVABSGNTKKF-FDFHNCONSA-N 2 0 372.553 3.198 20 0 FGADRP C[NH2+]CCc1ccccc1C(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000579128762 506100374 /nfs/dbraw/zinc/10/03/74/506100374.db2.gz NDGDFHGNWADABG-SFHVURJKSA-N 2 0 365.521 3.404 20 0 FGADRP CC(C)[C@H]1C[C@H]([NH2+][C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)c2ccccc21 ZINC000333240587 498949915 /nfs/dbraw/zinc/94/99/15/498949915.db2.gz DTDISEBSXTXCQA-JBPLPALLSA-N 2 0 355.526 3.107 20 0 FGADRP Cc1nn(C)c(N2CCC[N@H+](C)CC2)c1C[NH2+][C@H](C)[C@@H](C)c1ccccc1 ZINC000363788812 498993980 /nfs/dbraw/zinc/99/39/80/498993980.db2.gz YCZJUKVZTNXMFM-QZTJIDSGSA-N 2 0 369.557 3.152 20 0 FGADRP COC(=O)c1ccc(-c2nc(C[NH+]3CCC4(CC[NH2+]C4)CC3)cs2)cc1 ZINC000582063141 506125325 /nfs/dbraw/zinc/12/53/25/506125325.db2.gz PYTAWGAPNPCEIW-UHFFFAOYSA-N 2 0 371.506 3.172 20 0 FGADRP C[C@@H]1COCC[C@H]1[NH2+]Cc1cc(Cl)cc(C[NH2+][C@H]2CCOC[C@H]2C)c1 ZINC000295483582 499031318 /nfs/dbraw/zinc/03/13/18/499031318.db2.gz AAGMXWUYUBFEHX-IONDEXAJSA-N 2 0 366.933 3.369 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCc2nc(-c3ccccc3)no2)[C@H](C)C1 ZINC000299471958 499070070 /nfs/dbraw/zinc/07/00/70/499070070.db2.gz YNQFLZAPDCDBAV-MJGOQNOKSA-N 2 0 372.513 3.006 20 0 FGADRP C[C@@H]([NH2+]Cc1cc(Cl)cc(C[NH2+][C@@H](C)[C@@H]2CCOC2)c1)[C@@H]1CCOC1 ZINC000295648148 499071260 /nfs/dbraw/zinc/07/12/60/499071260.db2.gz CTUCLKFQWFFCBC-WTLGNFPFSA-N 2 0 366.933 3.369 20 0 FGADRP O=C(C1CC1)N1CCCCC[C@H]1C1CC[NH+](CCC[NH+]2CCCC2)CC1 ZINC000366893752 499108634 /nfs/dbraw/zinc/10/86/34/499108634.db2.gz BPPNGHYJNQVWHU-NRFANRHFSA-N 2 0 361.574 3.366 20 0 FGADRP CC1(C(=O)N2CCC(c3c[nH]cn3)CC2)CC[NH+](Cc2ccccc2)CC1 ZINC000372469744 499131053 /nfs/dbraw/zinc/13/10/53/499131053.db2.gz AQUOGFDRCYKGIY-UHFFFAOYSA-N 2 0 366.509 3.418 20 0 FGADRP C[N@H+](Cc1ccccc1CNC(=O)[C@H]1C[C@@]12CC[NH2+]C2)C1CCCCC1 ZINC000372488984 499133967 /nfs/dbraw/zinc/13/39/67/499133967.db2.gz CJFQGZQOMFICKK-IFMALSPDSA-N 2 0 355.526 3.067 20 0 FGADRP CCN1CCC[C@@H](C[N@H+](C)Cc2cccc(OC)c2)[C@@H]1c1cnn(C)c1 ZINC000372518445 499137331 /nfs/dbraw/zinc/13/73/31/499137331.db2.gz RJRDCTMEZSVOQR-GHTZIAJQSA-N 2 0 356.514 3.334 20 0 FGADRP CC(C)[NH+]1CCN(CCC[NH2+][C@H](c2ccccc2)C2CCOCC2)CC1 ZINC000367042127 499138705 /nfs/dbraw/zinc/13/87/05/499138705.db2.gz DMBQRJYJRXEORQ-JOCHJYFZSA-N 2 0 359.558 3.160 20 0 FGADRP COc1cccc2c(N3CC[C@H]([NH+]4CCN(C)CC4)[C@H](C)C3)cc(C)nc12 ZINC000367059109 499141796 /nfs/dbraw/zinc/14/17/96/499141796.db2.gz BQIGUHIWMUGSRQ-APWZRJJASA-N 2 0 368.525 3.014 20 0 FGADRP Cc1cccc(C[NH+]2CCC(NC(=O)N(C)[C@H]3CC[N@H+](C)[C@@H](C)C3)CC2)c1 ZINC000369892261 499146585 /nfs/dbraw/zinc/14/65/85/499146585.db2.gz LPEKFJOXIFFIIZ-RXVVDRJESA-N 2 0 372.557 3.084 20 0 FGADRP COc1ccccc1[C@@H](C)NC(=O)[C@@H](C)[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000367199370 499160450 /nfs/dbraw/zinc/16/04/50/499160450.db2.gz JJSBDNGCNVMEGZ-QZTJIDSGSA-N 2 0 373.541 3.069 20 0 FGADRP C[N@H+](C[C@H]1CC12CC[NH+](C[C@@H](O)c1ccc(F)cc1F)CC2)C1CC1 ZINC000367209986 499162509 /nfs/dbraw/zinc/16/25/09/499162509.db2.gz YLAALSIWICMWBU-AUUYWEPGSA-N 2 0 350.453 3.195 20 0 FGADRP C[C@H](C(=O)N1CCCCCC1)[N@@H+]1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000367231935 499165505 /nfs/dbraw/zinc/16/55/05/499165505.db2.gz RPZNIJXGLWCQFD-MSOLQXFVSA-N 2 0 358.530 3.190 20 0 FGADRP CC1CCC(O)(C[N@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)CC1 ZINC000370190158 499195607 /nfs/dbraw/zinc/19/56/07/499195607.db2.gz DRIMCQFLSRHKKI-UHFFFAOYSA-N 2 0 365.606 3.056 20 0 FGADRP COC(=O)c1csc([C@@H](C)[NH2+]C2CCN(Cc3ccccn3)CC2)c1 ZINC000367602297 499216682 /nfs/dbraw/zinc/21/66/82/499216682.db2.gz SNUOGBXRNOQEHO-CQSZACIVSA-N 2 0 359.495 3.245 20 0 FGADRP CCOc1ccc(C[NH2+][C@@H]2CC[N@H+](C[C@@H]3CCCO3)C[C@H]2C)cc1F ZINC000370623617 499236855 /nfs/dbraw/zinc/23/68/55/499236855.db2.gz AGKXGUCFPVMEGX-HHXXYDBFSA-N 2 0 350.478 3.203 20 0 FGADRP C[C@@H]([NH2+]Cc1ccnc(-n2ccnc2)c1)c1cccc(OCC[NH+](C)C)c1 ZINC000370650848 499240012 /nfs/dbraw/zinc/24/00/12/499240012.db2.gz GMFJCEBBOPRUAI-QGZVFWFLSA-N 2 0 365.481 3.059 20 0 FGADRP COc1ccccc1C[C@@H](C)[NH2+]CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000370661546 499241350 /nfs/dbraw/zinc/24/13/50/499241350.db2.gz SUDMPOJXZMWPDA-LJQANCHMSA-N 2 0 373.585 3.412 20 0 FGADRP Cn1cc(-c2ccccc2C[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cn1 ZINC000573197492 506140874 /nfs/dbraw/zinc/14/08/74/506140874.db2.gz DBVQSQJAKYYGMK-GMAHTHKFSA-N 2 0 374.488 3.433 20 0 FGADRP Cc1nccn1-c1ccc([C@H](C)[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)cc1 ZINC000368026070 499256804 /nfs/dbraw/zinc/25/68/04/499256804.db2.gz ZVLZFUIPBGNNQK-IRNNPGBSSA-N 2 0 368.525 3.425 20 0 FGADRP C[C@@H]1CCC[N@@H+]1C1CCN(C(=O)C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000370908658 499269689 /nfs/dbraw/zinc/26/96/89/499269689.db2.gz GVOZCXFOMFVAOT-LJQANCHMSA-N 2 0 369.553 3.374 20 0 FGADRP Cc1cc(NC(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)c(C)cn1 ZINC000368241464 499277363 /nfs/dbraw/zinc/27/73/63/499277363.db2.gz OATSNAYGRGRNCG-PMACEKPBSA-N 2 0 364.493 3.106 20 0 FGADRP C[NH+]1CCC2(CC1)C[C@H]([NH2+]CCCOC[C@@H]1CCOC1)c1ccccc1O2 ZINC000368363062 499288800 /nfs/dbraw/zinc/28/88/00/499288800.db2.gz QZSURHYWBFMROE-ICSRJNTNSA-N 2 0 374.525 3.007 20 0 FGADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@@H]2CCCN(c3ccc(Cl)cc3Cl)C2=O)C1 ZINC000576360472 506139712 /nfs/dbraw/zinc/13/97/12/506139712.db2.gz SIDQPLXUCWCKAP-VNHYZAJKSA-N 2 0 356.297 3.348 20 0 FGADRP C[C@@H]1C[N@H+](CCOc2cccc3ccccc32)CC[C@H]1N1CC[NH+](C)CC1 ZINC000371301590 499307405 /nfs/dbraw/zinc/30/74/05/499307405.db2.gz GIUNLJFRXJMONS-DENIHFKCSA-N 2 0 367.537 3.176 20 0 FGADRP CN(C(=O)CC1CC[NH+](C)CC1)C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000368697783 499323093 /nfs/dbraw/zinc/32/30/93/499323093.db2.gz CCBFWLJALMHADC-CBQGHPETSA-N 2 0 369.553 3.372 20 0 FGADRP C[C@@H](Cc1cccc(C(F)(F)F)c1)[NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000369062600 499361599 /nfs/dbraw/zinc/36/15/99/499361599.db2.gz HRIYWHJSVGEYKF-MAUKXSAKSA-N 2 0 369.475 3.395 20 0 FGADRP C[NH+]1CCN(c2ccc(C[NH2+][C@H]3CCC[C@@H](c4cccnc4)C3)cn2)CC1 ZINC000369113337 499366747 /nfs/dbraw/zinc/36/67/47/499366747.db2.gz RCTRHRLOFVQFJG-CTNGQTDRSA-N 2 0 365.525 3.044 20 0 FGADRP COc1ccc(C2=CC[N@H+](CCCN3CC[NH+](C(C)C)CC3)CC2)cc1 ZINC000369121734 499367507 /nfs/dbraw/zinc/36/75/07/499367507.db2.gz JEZJXBNCFICBNX-UHFFFAOYSA-N 2 0 357.542 3.200 20 0 FGADRP CCC[NH+]1CCN(C2CC[NH+](CCOc3cccc(Cl)c3)CC2)CC1 ZINC000369149337 499371107 /nfs/dbraw/zinc/37/11/07/499371107.db2.gz ICWOSVWWMMIRCR-UHFFFAOYSA-N 2 0 365.949 3.211 20 0 FGADRP CCC[NH+]1CCN(C2CC[NH+](CCCOCCc3ccccc3)CC2)CC1 ZINC000369153102 499371558 /nfs/dbraw/zinc/37/15/58/499371558.db2.gz BNFOZIMBFLMISF-UHFFFAOYSA-N 2 0 373.585 3.128 20 0 FGADRP COCCOc1ccc([C@@H](C)[NH2+]C[C@@H]2CCCn3cc(C)nc32)cc1OC ZINC000378184011 499488152 /nfs/dbraw/zinc/48/81/52/499488152.db2.gz NDGHPJMRMXECNQ-AEFFLSMTSA-N 2 0 373.497 3.454 20 0 FGADRP c1ccc(C[N@@H+]2CCC[C@]23CCOC3)c(C[NH+]2CCC[C@@]23CCOC3)c1 ZINC000375278190 499502378 /nfs/dbraw/zinc/50/23/78/499502378.db2.gz KGPFNJXVVVYOPC-SZPZYZBQSA-N 2 0 356.510 3.196 20 0 FGADRP CC(C)[NH+]1CCC([NH2+]C[C@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000387387680 499549716 /nfs/dbraw/zinc/54/97/16/499549716.db2.gz ITRADAUSYYHWCO-HNNXBMFYSA-N 2 0 361.313 3.196 20 0 FGADRP COc1ccc([C@H](C)[NH2+]CCN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000390884614 499556369 /nfs/dbraw/zinc/55/63/69/499556369.db2.gz VJYIKXQUXNEGNV-IBGZPJMESA-N 2 0 353.510 3.164 20 0 FGADRP C[NH+]1CCC(O)(C[NH2+]Cc2ccc(-c3nc4ccccc4s3)o2)CC1 ZINC000397518598 499564234 /nfs/dbraw/zinc/56/42/34/499564234.db2.gz TZFNURTWGSBUGY-UHFFFAOYSA-N 2 0 357.479 3.103 20 0 FGADRP Cc1ccccc1OC[C@H](O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000397959362 499565765 /nfs/dbraw/zinc/56/57/65/499565765.db2.gz DCWQVHBKICWDCE-NNWRFLSQSA-N 2 0 368.521 3.235 20 0 FGADRP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccc(C(F)(F)F)cc3)C2)CC1 ZINC000375907755 499567709 /nfs/dbraw/zinc/56/77/09/499567709.db2.gz UFZMQCVLSIGWRA-GOSISDBHSA-N 2 0 355.448 3.306 20 0 FGADRP CN1CC[C@@H](C[NH2+]CCCc2ccc3c(c2)CCO3)[C@@H]1c1cccnc1 ZINC000376021679 499576709 /nfs/dbraw/zinc/57/67/09/499576709.db2.gz ORPIEMXFGCFPQF-UNMCSNQZSA-N 2 0 351.494 3.232 20 0 FGADRP CCC(CC)[C@@H](CNC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C)[NH+]1CCCC1 ZINC000376627858 499624313 /nfs/dbraw/zinc/62/43/13/499624313.db2.gz LXTHKGREQQBNDF-JIRNRHONSA-N 2 0 364.578 3.154 20 0 FGADRP CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@H+](CCCn2ccnc2)C1 ZINC000376854111 499640793 /nfs/dbraw/zinc/64/07/93/499640793.db2.gz GWXSYMFPDRKONK-QZTJIDSGSA-N 2 0 362.518 3.385 20 0 FGADRP CC[NH+](CC)CCOc1ccccc1NC(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000377168044 499667625 /nfs/dbraw/zinc/66/76/25/499667625.db2.gz HXOQEXYVQSFQDI-ROUUACIJSA-N 2 0 374.529 3.156 20 0 FGADRP COc1ccc2cc(C[N@@H+]3CC[C@H](N4CC[NH+](C)CC4)[C@H](C)C3)ccc2c1 ZINC000377246762 499673734 /nfs/dbraw/zinc/67/37/34/499673734.db2.gz WIYXZDRHLZFZMI-JPYJTQIMSA-N 2 0 367.537 3.306 20 0 FGADRP Cc1ncc(CN2CC[C@H]([NH2+][C@H]3[C@H]4CCO[C@H]4C34CCC4)[C@@H](C)C2)s1 ZINC000377283562 499676511 /nfs/dbraw/zinc/67/65/11/499676511.db2.gz ROIGRMNELBVFRM-BIIJJZAFSA-N 2 0 361.555 3.209 20 0 FGADRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)C[C@@H]1CCCC[C@@H]1[NH3+] ZINC000573253849 506154759 /nfs/dbraw/zinc/15/47/59/506154759.db2.gz GQMXJIATOGIQEF-SRVURFJDSA-N 2 0 357.542 3.167 20 0 FGADRP CC(C)c1ccc2c(c1)[C@@H]([NH2+]C1CCN(CCN3CCOCC3)CC1)CC2 ZINC000377310841 499678978 /nfs/dbraw/zinc/67/89/78/499678978.db2.gz XHRDPWKRBGWIQY-QHCPKHFHSA-N 2 0 371.569 3.184 20 0 FGADRP c1cc(C[N@H+]2CCC[C@H](CN3CCOCC3)C2)ccc1C[NH+]1CCCCC1 ZINC000411263153 499718721 /nfs/dbraw/zinc/71/87/21/499718721.db2.gz SISJEZHXVJIEKE-HSZRJFAPSA-N 2 0 371.569 3.217 20 0 FGADRP OC[C@@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+]C1CC(c2ccccn2)C1 ZINC000377709053 499723751 /nfs/dbraw/zinc/72/37/51/499723751.db2.gz UIKUGLZJDIHWFE-CBNMVNINSA-N 2 0 351.494 3.074 20 0 FGADRP C[C@H](CC[NH+]1CCC[C@@H]2COCC[C@H]21)CC[N@@H+]1CCC[C@@H]2COCC[C@@H]21 ZINC000411315148 499725158 /nfs/dbraw/zinc/72/51/58/499725158.db2.gz HDTRVCCAJIVQNM-LMYCIYFBSA-N 2 0 364.574 3.405 20 0 FGADRP CC(CC[NH+]1CCC([NH2+]C(C)C)CC1)CC[NH+]1CCC([NH2+]C(C)C)CC1 ZINC000411369958 499730680 /nfs/dbraw/zinc/73/06/80/499730680.db2.gz ZJTAJNPPYYYPDC-UHFFFAOYSA-N 4 0 366.638 3.328 20 0 FGADRP C[NH+](C)Cc1ccc(C(=O)N2C[C@@H]3C[N@H+](C)[C@@H](c4ccccc4)[C@@H]3C2)cc1 ZINC000377817991 499738100 /nfs/dbraw/zinc/73/81/00/499738100.db2.gz DIBXQFLCCJGORA-BDTNDASRSA-N 2 0 363.505 3.123 20 0 FGADRP CSc1ccc(OC[C@H](O)C[NH+]2CCC(CCC[NH+](C)C)CC2)cc1 ZINC000411434271 499739874 /nfs/dbraw/zinc/73/98/74/499739874.db2.gz ZNYCVVHPZKHGBI-GOSISDBHSA-N 2 0 366.571 3.202 20 0 FGADRP CCOC(=O)[C@@H](NCc1ccc(C[NH+]2CCCCC2)cc1)[C@@H]1CCCOC1 ZINC000411506736 499748935 /nfs/dbraw/zinc/74/89/35/499748935.db2.gz PBCVQYWAAUDJDW-RTWAWAEBSA-N 2 0 374.525 3.120 20 0 FGADRP Cc1ccc2c(CC[NH2+][C@@H]3CC[N@@H+](C[C@@H]4CCCO4)C[C@@H]3C)c[nH]c2c1 ZINC000378163923 499761595 /nfs/dbraw/zinc/76/15/95/499761595.db2.gz HUAJMBIOEQOWED-HFSMHLIXSA-N 2 0 355.526 3.498 20 0 FGADRP CC(C)C[C@@H]([NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1)c1cccs1 ZINC000414184896 499766989 /nfs/dbraw/zinc/76/69/89/499766989.db2.gz GAKCIJOKXPOYSG-GOSISDBHSA-N 2 0 365.587 3.222 20 0 FGADRP C[C@@H]([NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1)c1cc2ccccc2s1 ZINC000414199144 499767785 /nfs/dbraw/zinc/76/77/85/499767785.db2.gz QSFHJCCMDFYHBU-QGZVFWFLSA-N 2 0 373.566 3.349 20 0 FGADRP C[C@H]([NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1)c1cc2ccccc2s1 ZINC000414199143 499767945 /nfs/dbraw/zinc/76/79/45/499767945.db2.gz QSFHJCCMDFYHBU-KRWDZBQOSA-N 2 0 373.566 3.349 20 0 FGADRP CC(C)c1ccc([C@H](C)[NH2+]CC2(N3CCOCC3)CC[NH+](C)CC2)cc1 ZINC000414205825 499768339 /nfs/dbraw/zinc/76/83/39/499768339.db2.gz XSVAMYICPFLKEE-IBGZPJMESA-N 2 0 359.558 3.257 20 0 FGADRP C[C@H]1OCC[C@]12C[N@H+](Cc1cccc(C[NH+]3CCCCC3)c1)C[C@@H](C)O2 ZINC000411670002 499775606 /nfs/dbraw/zinc/77/56/06/499775606.db2.gz KPSJQKFABHELNW-KNKQGSTJSA-N 2 0 358.526 3.441 20 0 FGADRP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1)c1ccsc1 ZINC000414324913 499778035 /nfs/dbraw/zinc/77/80/35/499778035.db2.gz LDWVCROSEAMLMJ-OAHLLOKOSA-N 2 0 357.523 3.296 20 0 FGADRP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1)c1ccc(F)cc1 ZINC000414330086 499778394 /nfs/dbraw/zinc/77/83/94/499778394.db2.gz RLBVLLAWPPIQIS-MRXNPFEDSA-N 2 0 369.484 3.374 20 0 FGADRP CN(C)c1ncc(C[NH2+]Cc2ccccc2C[NH+]2CCCCCC2)n1C ZINC000414345813 499779769 /nfs/dbraw/zinc/77/97/69/499779769.db2.gz FGQTVYZYNYOZJS-UHFFFAOYSA-N 2 0 355.530 3.152 20 0 FGADRP Cc1ccc(C[NH2+]CCc2ccc(OCC[NH+]3C[C@H](C)[C@@H](C)C3)cc2)nn1 ZINC000414365701 499781400 /nfs/dbraw/zinc/78/14/00/499781400.db2.gz NATNUKXEUFYWEU-ROUUACIJSA-N 2 0 368.525 3.084 20 0 FGADRP CC[NH+]1CCC(NC(=O)C[NH2+][C@@H](C)c2ccc(F)c3ccccc32)CC1 ZINC000411731401 499783972 /nfs/dbraw/zinc/78/39/72/499783972.db2.gz BBVUNHBKLSJADV-HNNXBMFYSA-N 2 0 357.473 3.230 20 0 FGADRP CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]Cc3cccc(C[NH+]4CCCCC4)c3)[C@@H]2C1 ZINC000411740916 499785111 /nfs/dbraw/zinc/78/51/11/499785111.db2.gz ZANWJOFAVQCDKL-YTFSRNRJSA-N 2 0 369.553 3.409 20 0 FGADRP Cc1nn(-c2cccc(F)c2)cc1C[N@H+]1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000414443652 499793053 /nfs/dbraw/zinc/79/30/53/499793053.db2.gz ODRMYFPYIRSFAT-GOSISDBHSA-N 2 0 356.489 3.484 20 0 FGADRP OC1(C[NH2+]CCCCOc2ccccc2)CC[NH+](Cc2ccccc2)CC1 ZINC000414523429 499802976 /nfs/dbraw/zinc/80/29/76/499802976.db2.gz ICTASSZLWZUJCH-UHFFFAOYSA-N 2 0 368.521 3.462 20 0 FGADRP COc1ccccc1/C=C/C[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000414557018 499808754 /nfs/dbraw/zinc/80/87/54/499808754.db2.gz ZHWCMCWDOHIRDG-YRNVUSSQSA-N 2 0 366.505 3.325 20 0 FGADRP Cc1ccc(C[NH2+]Cc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)cc1C ZINC000414558950 499809173 /nfs/dbraw/zinc/80/91/73/499809173.db2.gz TYASXLRHIZHBJM-UHFFFAOYSA-N 2 0 365.521 3.291 20 0 FGADRP CC[NH+]1CCC(NC(=O)C[N@H+](C)[C@H]2CCCC[C@H]2c2ccccc2)CC1 ZINC000411997463 499811543 /nfs/dbraw/zinc/81/15/43/499811543.db2.gz IAMLXJHOLZDUSK-SFTDATJTSA-N 2 0 357.542 3.245 20 0 FGADRP C[NH2+]CC1CC[NH+](Cc2cn(C3CCCC3)nc2-c2ccccn2)CC1 ZINC000414664357 499818378 /nfs/dbraw/zinc/81/83/78/499818378.db2.gz CHWRUXZHIOOCSR-UHFFFAOYSA-N 2 0 353.514 3.492 20 0 FGADRP [NH3+]CC(=O)N1CCC[C@@H](C[N@H+](Cc2ccccc2)Cc2ccccc2F)C1 ZINC000414709019 499821821 /nfs/dbraw/zinc/82/18/21/499821821.db2.gz QUNAEMGOFFTROX-IBGZPJMESA-N 2 0 369.484 3.025 20 0 FGADRP COC(=O)[C@@H]1CSCC[N@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000412084539 499822012 /nfs/dbraw/zinc/82/20/12/499822012.db2.gz TXNXFJRYRFSBEA-IBGZPJMESA-N 2 0 362.539 3.011 20 0 FGADRP CC[NH+]1CCN(c2ccccc2NC(=O)Nc2ccc([C@H](C)[NH3+])cc2)CC1 ZINC000414731643 499824372 /nfs/dbraw/zinc/82/43/72/499824372.db2.gz HQCSWAMDAIUPGN-INIZCTEOSA-N 2 0 367.497 3.492 20 0 FGADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000412145879 499827941 /nfs/dbraw/zinc/82/79/41/499827941.db2.gz DJZOUGGKUHUQCR-FQEVSTJZSA-N 2 0 357.542 3.476 20 0 FGADRP COc1ccc(Br)cc1C[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000414788509 499831450 /nfs/dbraw/zinc/83/14/50/499831450.db2.gz WTVPPHCUVHPUAR-UONOGXRCSA-N 2 0 353.304 3.279 20 0 FGADRP CC[NH+](CC)CCOc1ccccc1NC(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000414791065 499831542 /nfs/dbraw/zinc/83/15/42/499831542.db2.gz QCOIKKIENGOKSS-SFHVURJKSA-N 2 0 362.518 3.046 20 0 FGADRP COc1ccc(-c2nn(Cc3ccccc3)cc2C[NH2+]CCCC[NH3+])cc1 ZINC000414898305 499842952 /nfs/dbraw/zinc/84/29/52/499842952.db2.gz DQPMGQXWCZJMEI-UHFFFAOYSA-N 2 0 364.493 3.436 20 0 FGADRP C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]CC1(C)CC[NH2+]CC1 ZINC000414914260 499844314 /nfs/dbraw/zinc/84/43/14/499844314.db2.gz XSSOECHRUJPKSJ-OAHLLOKOSA-N 2 0 351.922 3.056 20 0 FGADRP CCc1nn(C)c(CC)c1CN[C@@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000414936937 499846352 /nfs/dbraw/zinc/84/63/52/499846352.db2.gz BXAKWZGCFCBJDJ-IFXJQAMLSA-N 2 0 362.468 3.058 20 0 FGADRP Cc1nc(COc2ccc(C[N@@H+](C)C3C[C@H]4CC[C@@H](C3)[NH+]4C)cc2)no1 ZINC000573288358 506161626 /nfs/dbraw/zinc/16/16/26/506161626.db2.gz XVRSMDSAJRELNG-JWTNVVGKSA-N 2 0 356.470 3.014 20 0 FGADRP C[C@H]1C[NH2+]CC[C@@H]1[NH2+]C1CCN(Cc2ccccc2Br)CC1 ZINC000414945547 499847670 /nfs/dbraw/zinc/84/76/70/499847670.db2.gz RVOQVRVTKMZDNO-KSSFIOAISA-N 2 0 366.347 3.001 20 0 FGADRP CCC[C@@H](CCc1ccccc1)[NH2+][C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC000414984404 499851431 /nfs/dbraw/zinc/85/14/31/499851431.db2.gz GJMNXKXPJJPIII-VWPQPMDRSA-N 2 0 357.542 3.024 20 0 FGADRP [NH3+][C@@H]1CCC[C@H](C[NH2+]Cc2nc(-c3ccc(Br)cc3)c[nH]2)C1 ZINC000415004494 499854143 /nfs/dbraw/zinc/85/41/43/499854143.db2.gz OGAJXYKSZNZBQL-SWLSCSKDSA-N 2 0 363.303 3.446 20 0 FGADRP CN(c1ccccc1C[NH2+]C[C@H]1CC[C@H](C[NH3+])CC1)C1CC[NH+](C)CC1 ZINC000415025015 499855993 /nfs/dbraw/zinc/85/59/93/499855993.db2.gz OUGXBNYSXKBYAN-WGSAOQKQSA-N 3 0 358.574 3.072 20 0 FGADRP CC[C@@H](CCc1ccc(Br)cc1)[NH2+]C[C@H]1C[NH2+]CCCO1 ZINC000415045222 499857673 /nfs/dbraw/zinc/85/76/73/499857673.db2.gz TUFGICIIDWYIBK-DLBZAZTESA-N 2 0 355.320 3.128 20 0 FGADRP c1csc(-c2nc(C[NH2+]C3CCC(N4CC[NH2+]CC4)CC3)cs2)c1 ZINC000415051993 499858653 /nfs/dbraw/zinc/85/86/53/499858653.db2.gz KKNGHBOBZYUICT-UHFFFAOYSA-N 2 0 362.568 3.178 20 0 FGADRP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000415055313 499858770 /nfs/dbraw/zinc/85/87/70/499858770.db2.gz OHDZCKFRPKOKMB-MNNVXMFVSA-N 2 0 369.475 3.442 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)C[C@@]1(C)C[NH3+] ZINC000415059050 499859380 /nfs/dbraw/zinc/85/93/80/499859380.db2.gz WUFRQAWSWAMSPK-CXAGYDPISA-N 2 0 352.404 3.308 20 0 FGADRP C[C@H]1C[C@H](C[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccncc2)CC[NH2+]1 ZINC000415085214 499861975 /nfs/dbraw/zinc/86/19/75/499861975.db2.gz SCGNTDOYABYVGC-ZWKOTPCHSA-N 2 0 361.493 3.412 20 0 FGADRP CCc1noc(-c2ccc(CC[NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)cc2)n1 ZINC000415091427 499862331 /nfs/dbraw/zinc/86/23/31/499862331.db2.gz ZFLCQUAQWYOMOK-OTWHNJEPSA-N 2 0 354.498 3.352 20 0 FGADRP Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC000570410702 506162516 /nfs/dbraw/zinc/16/25/16/506162516.db2.gz XZQIALDENRBLCP-UHFFFAOYSA-N 2 0 361.555 3.214 20 0 FGADRP [NH3+][C@H]1CCO[C@@H](C2CC[NH+](Cc3ccc(OC(F)F)c(F)c3)CC2)C1 ZINC000415131608 499868163 /nfs/dbraw/zinc/86/81/63/499868163.db2.gz ZTDCWJKAKGPXAD-WMLDXEAASA-N 2 0 358.404 3.145 20 0 FGADRP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](Cc2cc(Br)cs2)CC1 ZINC000415137788 499869020 /nfs/dbraw/zinc/86/90/20/499869020.db2.gz YLDNXCTZGZKJKH-HUUCEWRRSA-N 2 0 359.333 3.229 20 0 FGADRP [NH3+][C@H]1CCCO[C@H]1C1CC[NH+](Cc2cc(Br)cs2)CC1 ZINC000415137786 499869144 /nfs/dbraw/zinc/86/91/44/499869144.db2.gz YLDNXCTZGZKJKH-GJZGRUSLSA-N 2 0 359.333 3.229 20 0 FGADRP NC1(C[NH2+]Cc2cc(F)c(F)c(F)c2)CC[NH+](Cc2ccccc2)CC1 ZINC000415136290 499869167 /nfs/dbraw/zinc/86/91/67/499869167.db2.gz RJTWJLOHWDKSSE-UHFFFAOYSA-N 2 0 363.427 3.187 20 0 FGADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)Nc3cc(C[NH3+])cc(C(F)(F)F)c3)CC[C@H]21 ZINC000415960582 499933522 /nfs/dbraw/zinc/93/35/22/499933522.db2.gz QIIHHJOFAVGVIL-CZUORRHYSA-N 2 0 370.419 3.112 20 0 FGADRP CC[NH2+]Cc1ccccc1NC(=O)NC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000415960249 499933543 /nfs/dbraw/zinc/93/35/43/499933543.db2.gz UTPAIGSFENTZAI-QGZVFWFLSA-N 2 0 354.498 3.438 20 0 FGADRP [NH3+]Cc1cc(NC(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)cc(C(F)(F)F)c1 ZINC000415960970 499934084 /nfs/dbraw/zinc/93/40/84/499934084.db2.gz CQOGOAWZHPPBAM-MRXNPFEDSA-N 2 0 370.419 3.256 20 0 FGADRP C[C@H](NC(=O)Nc1ccc(C[NH3+])cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000415961627 499934136 /nfs/dbraw/zinc/93/41/36/499934136.db2.gz RURQPQGCROSXRL-LPHOPBHVSA-N 2 0 352.482 3.177 20 0 FGADRP O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000415964869 499934370 /nfs/dbraw/zinc/93/43/70/499934370.db2.gz YPESZGXGJRVFFX-KRWDZBQOSA-N 2 0 372.444 3.023 20 0 FGADRP C[NH2+]Cc1ccc(NC(=O)NCC[C@@H](C)[N@H+](C)Cc2ccccc2)cc1 ZINC000415968084 499935119 /nfs/dbraw/zinc/93/51/19/499935119.db2.gz CHTRYGPMRABAEV-QGZVFWFLSA-N 2 0 354.498 3.438 20 0 FGADRP C[C@H]1C[C@@H](NC(=O)Nc2ccc(C[NH3+])cc2)CC[N@@H+]1Cc1ccccc1 ZINC000415971255 499935744 /nfs/dbraw/zinc/93/57/44/499935744.db2.gz GFTHUBPQLCQQIX-JXFKEZNVSA-N 2 0 352.482 3.320 20 0 FGADRP C[N@@H+]1CCC[C@@H](CCNC(=O)Nc2cc(C[NH3+])cc(C(F)(F)F)c2)C1 ZINC000415975247 499936305 /nfs/dbraw/zinc/93/63/05/499936305.db2.gz SJZUNTBRQHFRJO-LBPRGKRZSA-N 2 0 358.408 3.018 20 0 FGADRP [NH3+]Cc1cc(NC(=O)N2CC[NH+](C3CCCC3)CC2)cc(C(F)(F)F)c1 ZINC000415979267 499936463 /nfs/dbraw/zinc/93/64/63/499936463.db2.gz ZTJYCHYXCUPAKQ-UHFFFAOYSA-N 2 0 370.419 3.256 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)N(CCC[NH3+])Cc2ccccc2)C1 ZINC000417029643 499952095 /nfs/dbraw/zinc/95/20/95/499952095.db2.gz CJWNHZPWFATPFM-BGYRXZFFSA-N 2 0 374.573 3.305 20 0 FGADRP CCCC[N@H+](C)CCNC(=O)N[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000428982866 499972541 /nfs/dbraw/zinc/97/25/41/499972541.db2.gz OPYVYBOUEFQKCA-ICSRJNTNSA-N 2 0 360.546 3.071 20 0 FGADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)NC[C@H]2CCCC[NH+]2C2CC2)C1 ZINC000429098866 500002937 /nfs/dbraw/zinc/00/29/37/500002937.db2.gz QDRVSOUIEKUNSO-SLYNCCJLSA-N 2 0 370.541 3.138 20 0 FGADRP C[N@H+](Cc1ccccc1CNC(=O)NC[C@@H]1CCC[NH2+]1)C1CCCCC1 ZINC000417225809 500010579 /nfs/dbraw/zinc/01/05/79/500010579.db2.gz STSSIPSLKVEDEP-IBGZPJMESA-N 2 0 358.530 3.002 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)N(C)[C@@H](C)C[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000417291944 500030144 /nfs/dbraw/zinc/03/01/44/500030144.db2.gz BONWQYSRKZTOMJ-BBRMVZONSA-N 2 0 374.451 3.077 20 0 FGADRP COc1cc(C[NH2+]C2CCC([NH+](C)C)CC2)c(Br)cc1O ZINC000421373935 500031380 /nfs/dbraw/zinc/03/13/80/500031380.db2.gz OCUGUYOQIYFMFZ-UHFFFAOYSA-N 2 0 357.292 3.126 20 0 FGADRP CCC[NH+]1CCC([NH2+]C[C@H](CO)Cc2cccc(Br)c2)CC1 ZINC000429412911 500073225 /nfs/dbraw/zinc/07/32/25/500073225.db2.gz QUDVBVQKZQWTJY-MRXNPFEDSA-N 2 0 369.347 3.064 20 0 FGADRP CC[C@@H](C(=O)N1CC(C)(C)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1)[NH+](C)C ZINC000413858067 500078346 /nfs/dbraw/zinc/07/83/46/500078346.db2.gz LXWAECBHNBRJFZ-SFTDATJTSA-N 2 0 371.569 3.476 20 0 FGADRP CC1CC[NH+](Cc2cccc(CNC(=O)N3CC[C@H](C)[C@H](C[NH3+])C3)c2)CC1 ZINC000417469497 500082998 /nfs/dbraw/zinc/08/29/98/500082998.db2.gz QIQYGWYTXFLMOS-GHTZIAJQSA-N 2 0 372.557 3.045 20 0 FGADRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)NCc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000417472536 500083732 /nfs/dbraw/zinc/08/37/32/500083732.db2.gz XBQWPDGFUBMGIY-NRFANRHFSA-N 2 0 374.573 3.433 20 0 FGADRP C[C@H]([NH3+])c1ccc(CNC(=O)C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000429478543 500084728 /nfs/dbraw/zinc/08/47/28/500084728.db2.gz TVODDRFIRKIQHG-KRWDZBQOSA-N 2 0 351.494 3.235 20 0 FGADRP C[NH+](C)CCOc1ccc(NC(=O)c2ccccc2C[NH+](C)C)c(F)c1 ZINC000413920540 500095097 /nfs/dbraw/zinc/09/50/97/500095097.db2.gz VUGDKSWIEXAMAU-UHFFFAOYSA-N 2 0 359.445 3.080 20 0 FGADRP CC(C)c1ccc([C@H]([NH3+])CNC(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)cc1 ZINC000417537153 500100220 /nfs/dbraw/zinc/10/02/20/500100220.db2.gz CPKXFPHIKWNIOF-FXAWDEMLSA-N 2 0 360.546 3.229 20 0 FGADRP O=C(NCc1ccccc1C[NH+]1CCCCCC1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000417619792 500127032 /nfs/dbraw/zinc/12/70/32/500127032.db2.gz ICAUINSZPCJUGV-NRFANRHFSA-N 2 0 370.541 3.099 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N1CC[C@@H]([NH3+])[C@H](C)C1)c1ccccc1Cl ZINC000416839202 500134504 /nfs/dbraw/zinc/13/45/04/500134504.db2.gz JOQQCYCTKHWCIU-ZTFGCOKTSA-N 2 0 366.937 3.102 20 0 FGADRP C[N@H+](CCCNC(=O)N1CCCC[C@H]1[C@H]1CCC[NH2+]C1)Cc1ccccc1 ZINC000416874316 500144662 /nfs/dbraw/zinc/14/46/62/500144662.db2.gz PIERSMKDQORVGZ-SFTDATJTSA-N 2 0 372.557 3.072 20 0 FGADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H](O)COc2ccc(C(C)(C)C)cc2)[C@@H](C)C1 ZINC000429785221 500144771 /nfs/dbraw/zinc/14/47/71/500144771.db2.gz LLCYZXOAQFBAPO-CUWPLCDZSA-N 2 0 362.558 3.386 20 0 FGADRP [NH3+][C@H]1CCC[C@H](CNC(=O)NCc2ccccc2C[NH+]2CCCCCC2)C1 ZINC000579452401 506178535 /nfs/dbraw/zinc/17/85/35/506178535.db2.gz BOWOHYSZKONEIL-RXVVDRJESA-N 2 0 372.557 3.379 20 0 FGADRP CC[NH2+]CC1CCN(C(=O)NCc2ccccc2C[NH+](CC)CC)CC1 ZINC000416883100 500147393 /nfs/dbraw/zinc/14/73/93/500147393.db2.gz BECGTABAQLJRQF-UHFFFAOYSA-N 2 0 360.546 3.060 20 0 FGADRP CCC(CC)(CNC(=O)NC[C@H]1CCC[NH2+]C1)[NH2+][C@H](C)c1ccccc1 ZINC000417695337 500150520 /nfs/dbraw/zinc/15/05/20/500150520.db2.gz BDJCPBBXNQZJRP-MSOLQXFVSA-N 2 0 360.546 3.195 20 0 FGADRP CC[NH2+]CC1CCN(C(=O)NC2CC[NH+]([C@@H](C)c3ccccc3)CC2)CC1 ZINC000417699175 500151615 /nfs/dbraw/zinc/15/16/15/500151615.db2.gz YWVXHMDXDWLBCG-SFHVURJKSA-N 2 0 372.557 3.243 20 0 FGADRP C[C@@H]([NH2+]C1(CNC(=O)NC2(C)CC[NH2+]CC2)CCCC1)c1ccccc1 ZINC000417704760 500153541 /nfs/dbraw/zinc/15/35/41/500153541.db2.gz MQTYVUXCFWXYPK-QGZVFWFLSA-N 2 0 358.530 3.091 20 0 FGADRP CCC(CC)(CNC(=O)N(C1CC1)[C@H]1CC[NH2+]C1)[NH2+][C@@H](C)c1ccccc1 ZINC000417705733 500153671 /nfs/dbraw/zinc/15/36/71/500153671.db2.gz NUOZHJIYSFIATL-PXNSSMCTSA-N 2 0 372.557 3.432 20 0 FGADRP CCN1CC[NH+](CCCC[NH2+][C@@H](C)c2ccc(Cl)cc2OC)CC1 ZINC000421818347 500158616 /nfs/dbraw/zinc/15/86/16/500158616.db2.gz AGJGMYOGHLZYCJ-INIZCTEOSA-N 2 0 353.938 3.417 20 0 FGADRP C[C@@H]([NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1)c1ccncc1Cl ZINC000421839498 500162017 /nfs/dbraw/zinc/16/20/17/500162017.db2.gz XEIOYRNBJHTOSV-MRXNPFEDSA-N 2 0 350.938 3.336 20 0 FGADRP C[C@H](Cc1ccc(F)cc1Cl)[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000421847096 500163358 /nfs/dbraw/zinc/16/33/58/500163358.db2.gz VYGWAPJBGFTKAK-ZNOIYHFQSA-N 2 0 354.897 3.378 20 0 FGADRP C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)NC[C@@H]3CCC[C@@H]([NH3+])C3)cc2)C1 ZINC000416966132 500168125 /nfs/dbraw/zinc/16/81/25/500168125.db2.gz FADVJWZJWPCYRJ-DUXKGJEZSA-N 2 0 372.557 3.235 20 0 FGADRP C[NH2+]C[C@@H]1CCCN(C(=O)NCc2ccccc2C[N@@H+]2CCC[C@@H](C)C2)C1 ZINC000416966662 500168656 /nfs/dbraw/zinc/16/86/56/500168656.db2.gz FVCQXCROPHUIST-MOPGFXCFSA-N 2 0 372.557 3.060 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)NC2CCC([NH3+])CC2)cc1 ZINC000416969294 500169572 /nfs/dbraw/zinc/16/95/72/500169572.db2.gz BISSMSGZGIHBDI-PBPGXSGUSA-N 2 0 358.530 3.130 20 0 FGADRP C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)NCC[C@H]2CCC[NH2+]C2)C1 ZINC000416972370 500171756 /nfs/dbraw/zinc/17/17/56/500171756.db2.gz RRVFISJZHDCZKL-RTBURBONSA-N 2 0 372.557 3.107 20 0 FGADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N(C2CC2)[C@H]2CC[NH2+]C2)cc1 ZINC000416975934 500172892 /nfs/dbraw/zinc/17/28/92/500172892.db2.gz NMNOHZHDSVKNOG-UWJYYQICSA-N 2 0 370.541 3.097 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)NCCC2=CC[NH2+]CC2)cc1 ZINC000416977873 500173311 /nfs/dbraw/zinc/17/33/11/500173311.db2.gz QEHWFYBGJRHRRH-GOSISDBHSA-N 2 0 370.541 3.170 20 0 FGADRP C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)COC3CCC([NH3+])CC3)cc2)C1 ZINC000582299019 506180546 /nfs/dbraw/zinc/18/05/46/506180546.db2.gz PDDMLRLDIMMVGM-PPDQVPDSSA-N 2 0 359.514 3.144 20 0 FGADRP C[C@@H]1CC[N@H+](C)CCN1C(=O)Nc1ccccc1-c1ncc2n1CCCC2 ZINC000425674570 500177998 /nfs/dbraw/zinc/17/79/98/500177998.db2.gz PFDUWHAMKNPQOH-MRXNPFEDSA-N 2 0 367.497 3.444 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)NC3CCC([NH3+])CC3)cc2)C1 ZINC000416996707 500179421 /nfs/dbraw/zinc/17/94/21/500179421.db2.gz UZHPAYFMEKCFAU-AGXSTUJCSA-N 2 0 372.557 3.234 20 0 FGADRP C[C@@H]1C[C@@H](NC(=O)N[C@H](C[NH3+])C2CCCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000417835738 500181342 /nfs/dbraw/zinc/18/13/42/500181342.db2.gz LDHMYGSWROQHAY-JRGCBEDISA-N 2 0 372.557 3.246 20 0 FGADRP C[NH2+]C[C@@H]1CCCN1C(=O)NC[C@H](CC(C)C)[NH2+][C@@H](C)c1ccccc1 ZINC000417872715 500188901 /nfs/dbraw/zinc/18/89/01/500188901.db2.gz LFEUYDLFUQWLNR-IHPCNDPISA-N 2 0 360.546 3.145 20 0 FGADRP CC(C)C[C@H](CNC(=O)N1CC[C@@](C)(C[NH3+])C1)[NH2+][C@@H](C)c1ccccc1 ZINC000417877887 500190000 /nfs/dbraw/zinc/19/00/00/500190000.db2.gz QIVZLRQCLWRBIT-DSKINZAPSA-N 2 0 360.546 3.132 20 0 FGADRP CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)N[C@@H](CCC[NH3+])c1ccccc1 ZINC000417920680 500198255 /nfs/dbraw/zinc/19/82/55/500198255.db2.gz QRAXMYNEWGRAIW-PMACEKPBSA-N 2 0 360.546 3.276 20 0 FGADRP C[C@@H]1C[C@@H](CCNC(=O)N2CCC[C@H](CC[NH3+])C2)C[N@@H+]1Cc1ccccc1 ZINC000417935040 500200582 /nfs/dbraw/zinc/20/05/82/500200582.db2.gz ZCSRNPKFAZLJKB-HMXCVIKNSA-N 2 0 372.557 3.058 20 0 FGADRP CC[C@H]([NH3+])CNC(=O)N[C@H]1CCN(C(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000417977416 500207637 /nfs/dbraw/zinc/20/76/37/500207637.db2.gz BUGMPEKMEVRCCD-JQFCIGGWSA-N 2 0 370.900 3.039 20 0 FGADRP CC1CC[NH+](Cc2cccc(CNC(=O)[C@@H]3CCC[N@@H+]3C3CC3)c2)CC1 ZINC000425925303 500212492 /nfs/dbraw/zinc/21/24/92/500212492.db2.gz QQLFNIXCBJMUAW-NRFANRHFSA-N 2 0 355.526 3.162 20 0 FGADRP CN(CCOc1ccccc1Cl)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000425938581 500214232 /nfs/dbraw/zinc/21/42/32/500214232.db2.gz AJAJFMZVCMRWPV-OAQYLSRUSA-N 2 0 374.912 3.288 20 0 FGADRP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000418151218 500238010 /nfs/dbraw/zinc/23/80/10/500238010.db2.gz FGKWSCOZKGFSFR-VQTJNVASSA-N 2 0 372.557 3.058 20 0 FGADRP O=C(NCc1ccc(C[NH+]2CCCCCC2)cc1)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000426135827 500240058 /nfs/dbraw/zinc/24/00/58/500240058.db2.gz IUVZNWULCNVKJI-NRFANRHFSA-N 2 0 355.526 3.306 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)NC2CCC([NH+](C)C)CC2)C1 ZINC000422247631 500240808 /nfs/dbraw/zinc/24/08/08/500240808.db2.gz XJLPULCYABDEMQ-UVHRUJRTSA-N 2 0 364.578 3.155 20 0 FGADRP CCN(C(=O)NC1CCC([NH+](C)C)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000422246745 500240911 /nfs/dbraw/zinc/24/09/11/500240911.db2.gz UFTYMWVGZIKBRN-XVAXZDLZSA-N 2 0 372.557 3.165 20 0 FGADRP CC(C)Cc1ccc([C@H](CNC(=O)N2CCC([C@@H](C)[NH3+])CC2)[NH+](C)C)cc1 ZINC000418188234 500245519 /nfs/dbraw/zinc/24/55/19/500245519.db2.gz GEPSLVCXNKINID-UTKZUKDTSA-N 2 0 374.573 3.257 20 0 FGADRP C[C@@H]1C[C@H](N(C)C(=O)NCC2([NH3+])CCCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000418298931 500260118 /nfs/dbraw/zinc/26/01/18/500260118.db2.gz RBAFAVMKPVIZPG-UYAOXDASSA-N 2 0 372.557 3.343 20 0 FGADRP CC(C)c1ccc([C@@H]([NH3+])CNC(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)cc1 ZINC000418321787 500261599 /nfs/dbraw/zinc/26/15/99/500261599.db2.gz CQOAGGMKEMQPHB-RTWAWAEBSA-N 2 0 372.557 3.183 20 0 FGADRP C[C@@H](NC(=O)[C@@H](C)[NH+]1CCC(C[NH3+])CC1)c1ccc(Cl)cc1Cl ZINC000430635306 500264823 /nfs/dbraw/zinc/26/48/23/500264823.db2.gz VACPBGMCFLFGSL-VXGBXAGGSA-N 2 0 358.313 3.230 20 0 FGADRP CCN(C(=O)NCC[C@@H]1CCC[NH2+]C1)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000418350107 500266502 /nfs/dbraw/zinc/26/65/02/500266502.db2.gz QPVDRDFTONZCDT-DYXWJJEUSA-N 2 0 372.557 3.243 20 0 FGADRP CC1CC[NH+](C[C@@H]2CCCN(C(=O)N[C@@H](C[NH3+])C3CCCCC3)C2)CC1 ZINC000418356462 500267378 /nfs/dbraw/zinc/26/73/78/500267378.db2.gz GRPKKBQETQKKAO-ICSRJNTNSA-N 2 0 364.578 3.048 20 0 FGADRP CCN(C(=O)NC1CCC([NH3+])CC1)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000418377340 500270228 /nfs/dbraw/zinc/27/02/28/500270228.db2.gz BGWCNPDOYVPSCI-WQUXRXDGSA-N 2 0 358.530 3.123 20 0 FGADRP CC[NH+](CC)CCCC1CCN(C(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000418407573 500273002 /nfs/dbraw/zinc/27/30/02/500273002.db2.gz FVRSIANSHKHJQF-RTBURBONSA-N 2 0 352.567 3.048 20 0 FGADRP CCCC[C@@H](C[NH3+])NC(=O)N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000418461661 500279897 /nfs/dbraw/zinc/27/98/97/500279897.db2.gz JFBPMAYXMADVBS-HKUYNNGSSA-N 2 0 352.567 3.190 20 0 FGADRP C[C@H]([NH3+])c1ccc(CNC(=O)N(CC[NH+](C)C)Cc2ccsc2)cc1 ZINC000418466323 500280214 /nfs/dbraw/zinc/28/02/14/500280214.db2.gz RAJKCPWGPKODET-HNNXBMFYSA-N 2 0 360.527 3.041 20 0 FGADRP [NH3+]CCCN(CC1CCCC1)C(=O)N[C@H](C[NH3+])c1ccc2ccccc2c1 ZINC000418498608 500284519 /nfs/dbraw/zinc/28/45/19/500284519.db2.gz KFAOBDQCKFUILF-OAQYLSRUSA-N 2 0 368.525 3.390 20 0 FGADRP c1ccc2[nH]c(CCC[NH2+][C@H]3C[C@]4(CC[NH2+]C4)Oc4ccccc43)nc2c1 ZINC000422699025 500286870 /nfs/dbraw/zinc/28/68/70/500286870.db2.gz CFHSYJFHMVEEKM-UGKGYDQZSA-N 2 0 362.477 3.341 20 0 FGADRP FC(F)(F)c1cccc(C2(C[NH2+][C@@H]3CCOC[C@H]3[C@@H]3CCC[NH2+]3)CC2)c1 ZINC000422702433 500287297 /nfs/dbraw/zinc/28/72/97/500287297.db2.gz KRNOEQPBOCUPPO-OKZBNKHCSA-N 2 0 368.443 3.484 20 0 FGADRP COc1ccc(CC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)c(OC)c1OC ZINC000422705240 500287504 /nfs/dbraw/zinc/28/75/04/500287504.db2.gz RCTAZOBFUDAVIH-KZNAEPCWSA-N 2 0 362.514 3.155 20 0 FGADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]C1CCN(Cc2cccc(C(F)(F)F)c2)CC1 ZINC000422705924 500287527 /nfs/dbraw/zinc/28/75/27/500287527.db2.gz DBMZBCOEHMSXGU-CRAIPNDOSA-N 2 0 355.448 3.387 20 0 FGADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@H](C)c1cccc(N2CCCC2=O)c1 ZINC000422708721 500288004 /nfs/dbraw/zinc/28/80/04/500288004.db2.gz YACJWRDDLWLELI-HUUCEWRRSA-N 2 0 352.482 3.387 20 0 FGADRP CN(C)[C@H](C[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1ccc(F)cc1 ZINC000422714063 500288494 /nfs/dbraw/zinc/28/84/94/500288494.db2.gz QNVJUEXPQHSYRE-VWPQPMDRSA-N 2 0 369.484 3.274 20 0 FGADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]CCSCCOc1cccc(Br)c1 ZINC000422716898 500289103 /nfs/dbraw/zinc/28/91/03/500289103.db2.gz UVHUDQOFQRGXSI-CHWSQXEVSA-N 2 0 361.349 3.277 20 0 FGADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+][C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000422720097 500289962 /nfs/dbraw/zinc/28/99/62/500289962.db2.gz ZNWYTFLHGJCIBJ-FRFSOERESA-N 2 0 352.320 3.006 20 0 FGADRP COc1ccc(CC[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1OC ZINC000422725737 500289825 /nfs/dbraw/zinc/28/98/25/500289825.db2.gz CCSFRNJBPTYHAR-PGRDOPGGSA-N 2 0 368.477 3.092 20 0 FGADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C[C@H](c1cccc(F)c1)N1CCOCC1 ZINC000422720830 500290214 /nfs/dbraw/zinc/29/02/14/500290214.db2.gz TYWPWXIZMFJVAW-JRGCBEDISA-N 2 0 363.521 3.099 20 0 FGADRP CSc1nnc(CCC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)n1CC(C)C ZINC000422734108 500291277 /nfs/dbraw/zinc/29/12/77/500291277.db2.gz RVPCAQKWUGBMIG-BBWFWOEESA-N 2 0 365.591 3.099 20 0 FGADRP COc1ccccc1[C@H](CN[C@@H](Cc1ccccc1)[C@@H](C)[NH3+])[NH+]1CCCC1 ZINC000422749487 500293876 /nfs/dbraw/zinc/29/38/76/500293876.db2.gz ZKKWPSCLECKRGN-COPCDDAFSA-N 2 0 367.537 3.380 20 0 FGADRP CN(CCC[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1ccccc1 ZINC000422758706 500294361 /nfs/dbraw/zinc/29/43/61/500294361.db2.gz KPCWEUSJYPULLC-UNMCSNQZSA-N 2 0 351.494 3.358 20 0 FGADRP C[C@H]([NH2+]CC1(c2cccc(C(F)(F)F)c2)CCOCC1)[C@@H]1CCC[NH2+]1 ZINC000422756613 500294724 /nfs/dbraw/zinc/29/47/24/500294724.db2.gz JCDMMFGSZOUGQH-YOEHRIQHSA-N 2 0 356.432 3.484 20 0 FGADRP c1ccc(CN2CC[C@H]([NH2+][C@H]3C[C@]4(CC[NH2+]C4)Oc4ccccc43)C2)cc1 ZINC000422772061 500296112 /nfs/dbraw/zinc/29/61/12/500296112.db2.gz YCJJIYGADBKWGG-RRPUWOKSSA-N 2 0 363.505 3.106 20 0 FGADRP C[C@@H]1CCCN(C(C)(C)C[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000422771238 500296145 /nfs/dbraw/zinc/29/61/45/500296145.db2.gz XFUGYHHDQVVLAZ-LZNRXBQRSA-N 2 0 357.542 3.342 20 0 FGADRP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CC1(c2ccc(F)cc2)CCOCC1 ZINC000422768551 500296177 /nfs/dbraw/zinc/29/61/77/500296177.db2.gz URRIGCNJQUUPDK-UTKZUKDTSA-N 2 0 356.485 3.422 20 0 FGADRP CS(=O)(=O)c1cccc([C@H]([NH2+]C2CCC(C[NH3+])CC2)c2ccccc2)c1 ZINC000422798413 500299111 /nfs/dbraw/zinc/29/91/11/500299111.db2.gz QYHGERFAUXQYDA-VFIGECHUSA-N 2 0 372.534 3.287 20 0 FGADRP CCOC(=O)C1([C@@H](C)[NH2+]Cc2c(OC)ccc3ccccc32)CC[NH2+]CC1 ZINC000422800296 500299531 /nfs/dbraw/zinc/29/95/31/500299531.db2.gz BCKBPUVBMRHUCS-MRXNPFEDSA-N 2 0 370.493 3.259 20 0 FGADRP COc1ccc([C@@H](NCc2cccc(C[NH+](C)C)c2)[C@H]2CCC[NH2+]2)cc1 ZINC000422810072 500301021 /nfs/dbraw/zinc/30/10/21/500301021.db2.gz RBUOIMHLMLDVRP-FGZHOGPDSA-N 2 0 353.510 3.340 20 0 FGADRP Cc1cccc(N2CC[NH+](CCCC[NH2+][C@@H](C)[C@H]3CCCC[NH2+]3)CC2)c1 ZINC000422812479 500301303 /nfs/dbraw/zinc/30/13/03/500301303.db2.gz QKYINDBXCGCPME-RBBKRZOGSA-N 3 0 358.574 3.017 20 0 FGADRP COc1cc(Cl)c(C)cc1NC(=O)CC[NH2+][C@H]1CCCCC[C@@H]1[NH3+] ZINC000422825170 500302595 /nfs/dbraw/zinc/30/25/95/500302595.db2.gz PCQKUMUBAZNZAL-GJZGRUSLSA-N 2 0 353.894 3.235 20 0 FGADRP [NH3+]CCC[C@H](NC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1)c1ccccc1 ZINC000418669725 500305157 /nfs/dbraw/zinc/30/51/57/500305157.db2.gz JTNRBDZLVXBKOO-PMACEKPBSA-N 2 0 358.530 3.127 20 0 FGADRP Cc1cccc([C@H](C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)N2CCOCC2)c1 ZINC000422852162 500306252 /nfs/dbraw/zinc/30/62/52/500306252.db2.gz AEHFFJVAHVNKAB-ACESQOTJSA-N 2 0 371.569 3.269 20 0 FGADRP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)C1 ZINC000418678431 500306630 /nfs/dbraw/zinc/30/66/30/500306630.db2.gz CKCAPESTJKMLCM-MUGJNUQGSA-N 2 0 364.578 3.048 20 0 FGADRP CCCCOc1ccc(C[NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)cc1OC ZINC000422868615 500307557 /nfs/dbraw/zinc/30/75/57/500307557.db2.gz VRWQGCWWHXVURK-GBESFXJTSA-N 2 0 362.514 3.121 20 0 FGADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]CC(C)(C)c1cccc(Br)c1 ZINC000422879792 500309561 /nfs/dbraw/zinc/30/95/61/500309561.db2.gz MQJMNAIODBERFK-VBNZEHGJSA-N 2 0 355.320 3.069 20 0 FGADRP Clc1cccc(-n2cc(C[NH+]3CCC4(CC[NH2+]C4)CC3)nn2)c1Cl ZINC000430936048 500309875 /nfs/dbraw/zinc/30/98/75/500309875.db2.gz WPLQDZZYBAASOC-UHFFFAOYSA-N 2 0 366.296 3.150 20 0 FGADRP CC(C)(C)CC(C)(C)[NH+]1CCN(C(=O)NC[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000418707348 500310216 /nfs/dbraw/zinc/31/02/16/500310216.db2.gz BOKDUFDWSTYONO-SJORKVTESA-N 2 0 352.567 3.046 20 0 FGADRP C[C@@H]1CCC[N@H+](Cc2ccccc2C[NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)C1 ZINC000422886729 500310979 /nfs/dbraw/zinc/31/09/79/500310979.db2.gz XIQHKGIYQMESOL-RLLPEYFOSA-N 3 0 371.569 3.165 20 0 FGADRP C[NH+](C)[C@H](CN[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)C1CCCCC1 ZINC000422892875 500311395 /nfs/dbraw/zinc/31/13/95/500311395.db2.gz NZWFDQWLUXIRRP-TUNNFDKTSA-N 2 0 357.542 3.342 20 0 FGADRP CCOC(=O)C1([C@H](C)[NH2+]CCCc2c[nH]c3ccccc23)CC[NH2+]CC1 ZINC000422890980 500311763 /nfs/dbraw/zinc/31/17/63/500311763.db2.gz UFCMQYYDHOGXCP-INIZCTEOSA-N 2 0 357.498 3.012 20 0 FGADRP C[C@@H](CCCC[NH3+])NC(=O)N1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000418716478 500311983 /nfs/dbraw/zinc/31/19/83/500311983.db2.gz ZCRWSJUWVTZYFY-SFHVURJKSA-N 2 0 360.546 3.058 20 0 FGADRP COc1ccc(C2(C[NH2+][C@H](Cc3ccccc3)[C@H](C)[NH3+])CCOCC2)cc1 ZINC000422899686 500313222 /nfs/dbraw/zinc/31/32/22/500313222.db2.gz OXLABXSHNNLCIK-PGRDOPGGSA-N 2 0 368.521 3.292 20 0 FGADRP C[C@@H]1CN(Cc2cccc(C[NH2+][C@@H]3CCC[C@H]3[C@@H]3CCCC[NH2+]3)c2)CCO1 ZINC000422903403 500313893 /nfs/dbraw/zinc/31/38/93/500313893.db2.gz OMRMMGSABLHUPM-HGSOSGBHSA-N 2 0 371.569 3.308 20 0 FGADRP COc1ccc(C2(C[NH2+][C@@H]3C[C@@H]([NH3+])c4ccccc43)CCOCC2)cc1 ZINC000422905901 500314721 /nfs/dbraw/zinc/31/47/21/500314721.db2.gz ZSRTVTKXFKYVTQ-NHCUHLMSSA-N 2 0 352.478 3.478 20 0 FGADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCc1nc(-c2ccncc2)cs1 ZINC000422907981 500314874 /nfs/dbraw/zinc/31/48/74/500314874.db2.gz CNRDFWUFDBSMAM-YJBOKZPZSA-N 2 0 352.507 3.296 20 0 FGADRP CCOC(=O)C1([C@@H](C)[NH2+]C[C@@H](CC)Oc2cccc(C)c2)CC[NH2+]CC1 ZINC000422922052 500317225 /nfs/dbraw/zinc/31/72/25/500317225.db2.gz RQGXSCOPLSFKNG-QZTJIDSGSA-N 2 0 362.514 3.063 20 0 FGADRP C[C@@H](CCCC[NH3+])[NH2+]C[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000422940067 500320530 /nfs/dbraw/zinc/32/05/30/500320530.db2.gz IMMSGFSIAVXYFE-LSDHHAIUSA-N 2 0 354.336 3.383 20 0 FGADRP [NH3+][C@H]1C[C@@H]([NH2+]CCCC[NH+]2CCN(c3ccccc3)CC2)c2ccccc21 ZINC000422946065 500321855 /nfs/dbraw/zinc/32/18/55/500321855.db2.gz OFJVNIKCMDYTBC-XZOQPEGZSA-N 3 0 364.537 3.323 20 0 FGADRP C[NH+](C)C1CCN(c2ccc(N[C@H]3C[C@@H]([NH3+])c4ccccc43)nc2)CC1 ZINC000422955316 500323154 /nfs/dbraw/zinc/32/31/54/500323154.db2.gz LSUSKNZDCOZZBT-UXHICEINSA-N 2 0 351.498 3.169 20 0 FGADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C1CCN(C(=O)NC2CCCCC2)CC1 ZINC000422952642 500323380 /nfs/dbraw/zinc/32/33/80/500323380.db2.gz BTEQAAPJWRUWSR-HNNXBMFYSA-N 2 0 373.545 3.006 20 0 FGADRP O=C(C[NH+]1CCC2(CC[NH2+]C2)CC1)N[C@H](c1ccccc1)C1CCCCC1 ZINC000431023319 500324645 /nfs/dbraw/zinc/32/46/45/500324645.db2.gz QRYNSQDBKORWPI-JOCHJYFZSA-N 2 0 369.553 3.500 20 0 FGADRP C[C@@H](NC(=O)C[NH+]1CCC2(CC[NH2+]C2)CC1)c1ccc(Cl)cc1Cl ZINC000431030776 500325693 /nfs/dbraw/zinc/32/56/93/500325693.db2.gz QXRPBDQSIIVIRB-CYBMUJFWSA-N 2 0 370.324 3.246 20 0 FGADRP COCc1cccc(OCC2(C[NH+]3CCC4(CC[NH2+]C4)CC3)CCC2)c1 ZINC000431028256 500326057 /nfs/dbraw/zinc/32/60/57/500326057.db2.gz OGLQPUOOLHECKG-UHFFFAOYSA-N 2 0 358.526 3.458 20 0 FGADRP [NH3+]CCCn1ccc2cc(C(=O)N3CCC[C@@H]3C[NH+]3CCCCC3)ccc21 ZINC000431036893 500326989 /nfs/dbraw/zinc/32/69/89/500326989.db2.gz HCYMINNJLOIXCH-HXUWFJFHSA-N 2 0 368.525 3.081 20 0 FGADRP OCC1CC[NH+](Cc2cccc(N[C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)c2)CC1 ZINC000422984163 500327435 /nfs/dbraw/zinc/32/74/35/500327435.db2.gz XFHKTSNMBQLAKE-BHDDXSALSA-N 2 0 357.542 3.224 20 0 FGADRP COc1ccc([C@H](NC[C@@H]2CCC[N@H+](CC(C)C)C2)[C@H]2CCC[NH2+]2)cc1 ZINC000422997112 500329035 /nfs/dbraw/zinc/32/90/35/500329035.db2.gz NMFBDCRYGDUACZ-BWAGFHJFSA-N 2 0 359.558 3.446 20 0 FGADRP CCc1ccc([C@H](CO)[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422998479 500329316 /nfs/dbraw/zinc/32/93/16/500329316.db2.gz CXDDOAOJLUQHBZ-RZUBCFFCSA-N 2 0 352.478 3.128 20 0 FGADRP CC(C)C[N@@H+]1CCC[C@H](CN[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000423001397 500329631 /nfs/dbraw/zinc/32/96/31/500329631.db2.gz WWWHDVWFTUTNMY-CBQOVEMMSA-N 2 0 357.542 3.200 20 0 FGADRP COCC[C@H](Cc1ccco1)[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423035521 500333601 /nfs/dbraw/zinc/33/36/01/500333601.db2.gz RRKJQOIZOMNAOZ-PBEJRMEISA-N 2 0 356.466 3.073 20 0 FGADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]C1CCN(C(=O)c2ccccc2C(F)(F)F)CC1 ZINC000423047834 500335342 /nfs/dbraw/zinc/33/53/42/500335342.db2.gz HGJIWASLAFQPNA-GUYCJALGSA-N 2 0 369.431 3.027 20 0 FGADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCc1ccc(OCC(F)(F)F)nc1 ZINC000423049365 500335556 /nfs/dbraw/zinc/33/55/56/500335556.db2.gz JSUUROQOHAPTGC-YOEHRIQHSA-N 2 0 367.415 3.113 20 0 FGADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@@H](C1CC1)N(C)Cc1ccccc1 ZINC000423060405 500336735 /nfs/dbraw/zinc/33/67/35/500336735.db2.gz IBHHNNMQIJHAAE-AOMKIAJQSA-N 2 0 352.526 3.410 20 0 FGADRP CN1C[C@H](C[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)Cc2ccccc21 ZINC000423062504 500337457 /nfs/dbraw/zinc/33/74/57/500337457.db2.gz UFVLUZJHKAGGPJ-NYDSKATKSA-N 2 0 363.505 3.141 20 0 FGADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]C[C@]1(Cc2ccc(F)cc2)CCC[C@@H]1O ZINC000423073792 500338680 /nfs/dbraw/zinc/33/86/80/500338680.db2.gz JWAFDKKQVHIDRP-KEIZBESESA-N 2 0 370.512 3.448 20 0 FGADRP OC[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)Cc1cc(F)c(F)c(F)c1 ZINC000423079700 500339668 /nfs/dbraw/zinc/33/96/68/500339668.db2.gz YQQRDVNUNIJEOH-ILRDRHFLSA-N 2 0 370.459 3.155 20 0 FGADRP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000423083423 500339752 /nfs/dbraw/zinc/33/97/52/500339752.db2.gz GAGIVXUMKTUGFK-YOODTLSXSA-N 2 0 369.475 3.340 20 0 FGADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+][C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000423090625 500340524 /nfs/dbraw/zinc/34/05/24/500340524.db2.gz VWOZRHCHZYVSCN-DJIMGWMZSA-N 2 0 352.320 3.277 20 0 FGADRP CCC[N@H+](C)[C@H](CN[C@@H](C1CC1)[C@H]1C[NH2+]CCO1)c1ccc(Cl)cc1 ZINC000423099293 500341739 /nfs/dbraw/zinc/34/17/39/500341739.db2.gz FIHLAUOHAQKFMI-AQNXPRMDSA-N 2 0 365.949 3.080 20 0 FGADRP CC[NH+](CC)CC1CC[NH+]([C@@H]2CCN(c3cccc(Cl)c3)C2=O)CC1 ZINC000426995486 500342894 /nfs/dbraw/zinc/34/28/94/500342894.db2.gz QPJADQONQXNBLW-LJQANCHMSA-N 2 0 363.933 3.499 20 0 FGADRP Clc1ccc(N2CCOCC2)c(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000423110889 500343598 /nfs/dbraw/zinc/34/35/98/500343598.db2.gz WDJWRFYSULMBNL-CEXWTWQISA-N 2 0 363.933 3.187 20 0 FGADRP CCOC(=O)C1([C@H](C)[NH2+][C@@H]2CCc3cc(F)c(F)c(F)c32)CC[NH2+]CC1 ZINC000423154053 500349237 /nfs/dbraw/zinc/34/92/37/500349237.db2.gz IOVKQKSMGULPKS-SMDDNHRTSA-N 2 0 370.415 3.002 20 0 FGADRP Cc1c(Br)cccc1C[C@H](CO)C[NH2+][C@H]1CCCCC[C@H]1[NH3+] ZINC000423160679 500349740 /nfs/dbraw/zinc/34/97/40/500349740.db2.gz MOVLCBMVFYOPAZ-QGTPRVQTSA-N 2 0 369.347 3.158 20 0 FGADRP Brc1ccc([C@@H]([NH2+]CCN2CC[NH2+]CC2)c2ccccc2)cc1 ZINC000423199038 500354266 /nfs/dbraw/zinc/35/42/66/500354266.db2.gz AHYWLTDHMSIGOC-IBGZPJMESA-N 2 0 374.326 3.033 20 0 FGADRP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1)c1ccc(I)cc1 ZINC000423217794 500355872 /nfs/dbraw/zinc/35/58/72/500355872.db2.gz QLAKAJUNZBLUEO-SGMGOOAPSA-N 2 0 358.267 3.330 20 0 FGADRP C[C@H]1C[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C[N@@H+]1Cc1ccccc1 ZINC000427152500 500360070 /nfs/dbraw/zinc/36/00/70/500360070.db2.gz KEMIVMLDPKVOPG-ICSRJNTNSA-N 2 0 357.542 3.278 20 0 FGADRP CCc1ccc([C@H](CNC(=O)c2ccccc2CC[NH2+]C)[NH+](C)C)cc1 ZINC000423316320 500363118 /nfs/dbraw/zinc/36/31/18/500363118.db2.gz ZYCVRHFOWINVJB-NRFANRHFSA-N 2 0 353.510 3.044 20 0 FGADRP C[NH2+]CCc1ccccc1C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000423311993 500363177 /nfs/dbraw/zinc/36/31/77/500363177.db2.gz UUYRYXVPMRIFMP-SFHVURJKSA-N 2 0 357.523 3.077 20 0 FGADRP [NH3+]C1C[C@H]2CCC[C@@H](C1)C2[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000423316165 500363188 /nfs/dbraw/zinc/36/31/88/500363188.db2.gz YBJWQNZDYCQMRK-JKOLBHCTSA-N 3 0 353.554 3.393 20 0 FGADRP [NH3+]C1C[C@H]2CCC[C@@H](C1)C2[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000423316168 500363366 /nfs/dbraw/zinc/36/33/66/500363366.db2.gz YBJWQNZDYCQMRK-XMBDKHIGSA-N 3 0 353.554 3.393 20 0 FGADRP C[C@H]([NH3+])c1ccc(C(=O)N(C)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000423316199 500363550 /nfs/dbraw/zinc/36/35/50/500363550.db2.gz ASAGLRISZCLTKD-LAUBAEHRSA-N 2 0 351.494 3.443 20 0 FGADRP C[C@@H]([NH2+]CC1=CC[NH2+]CC1)c1ccc(F)c(I)c1 ZINC000423356633 500366599 /nfs/dbraw/zinc/36/65/99/500366599.db2.gz QZFFFEIYVOKNSQ-SNVBAGLBSA-N 2 0 360.214 3.001 20 0 FGADRP C[C@H]1C[C@H]([NH2+]C[C@@H](N2CC[NH2+]CC2)C(F)(F)F)c2ccsc2S1 ZINC000423384174 500368824 /nfs/dbraw/zinc/36/88/24/500368824.db2.gz JXTDRPXPUKBSFT-WCFLWFBJSA-N 2 0 365.490 3.099 20 0 FGADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000427215677 500368921 /nfs/dbraw/zinc/36/89/21/500368921.db2.gz CBNQHCCHSSTNCS-ROUUACIJSA-N 2 0 359.514 3.363 20 0 FGADRP C[C@@H]([NH3+])c1ccc(C(=O)N(C)C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000423384785 500369112 /nfs/dbraw/zinc/36/91/12/500369112.db2.gz QMMUFUYQXUJFBM-QGZVFWFLSA-N 2 0 351.494 3.443 20 0 FGADRP C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]Cc1ccc2c(c1)C[NH2+]C2 ZINC000423393615 500369296 /nfs/dbraw/zinc/36/92/96/500369296.db2.gz QQLSKCYMUYOYKU-OAHLLOKOSA-N 2 0 371.912 3.470 20 0 FGADRP COCC1(C[NH2+][C@H](C)c2cnn(-c3cc(C)ccc3C)c2C)CC[NH2+]CC1 ZINC000423408179 500371948 /nfs/dbraw/zinc/37/19/48/500371948.db2.gz OCSXCAAKWQCMLL-GOSISDBHSA-N 2 0 370.541 3.464 20 0 FGADRP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CCCC[C@@H](N2C(=O)c3ccccc3C2=O)C1 ZINC000423422114 500373611 /nfs/dbraw/zinc/37/36/11/500373611.db2.gz CUGJPEGIWBRUAV-BRWVUGGUSA-N 2 0 357.498 3.091 20 0 FGADRP C[C@@H]([NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1)c1ccccc1I ZINC000423421870 500373731 /nfs/dbraw/zinc/37/37/31/500373731.db2.gz BDEMGAHCCSQWRG-DIOULYMOSA-N 2 0 370.278 3.330 20 0 FGADRP C[C@@H](Nc1nc2ccc(F)cc2n1C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000431416053 500374352 /nfs/dbraw/zinc/37/43/52/500374352.db2.gz ULSIDNPFRVYXNK-WBVHZDCISA-N 2 0 352.457 3.457 20 0 FGADRP C[C@H](CCC[NH3+])[NH2+][C@H](C)c1ccc(F)c(I)c1 ZINC000423448765 500375447 /nfs/dbraw/zinc/37/54/47/500375447.db2.gz FNHCZGZJLMCZGJ-NXEZZACHSA-N 2 0 350.219 3.208 20 0 FGADRP C[C@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[NH2+][C@@H](C)[C@H](C)[NH3+] ZINC000423457857 500375863 /nfs/dbraw/zinc/37/58/63/500375863.db2.gz GEXZUOLCNOJGOV-UTLUCORTSA-N 2 0 351.800 3.401 20 0 FGADRP C[C@@H](CCC[NH3+])[NH2+][C@@H]1CCCOc2ccc(I)cc21 ZINC000423456468 500376088 /nfs/dbraw/zinc/37/60/88/500376088.db2.gz NRAPJXKAOBCZBK-SMDDNHRTSA-N 2 0 374.266 3.222 20 0 FGADRP Fc1ccc([C@@H]2CC[NH2+]C[C@@H]2CN[C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)cc1 ZINC000423473746 500377649 /nfs/dbraw/zinc/37/76/49/500377649.db2.gz NXXOSGBPDPQWJV-KMKNWIINSA-N 2 0 359.533 3.419 20 0 FGADRP Clc1cc2c(c(Br)c1)CC[C@H]2NC[C@@H]1C[NH2+]CCCO1 ZINC000423485284 500378130 /nfs/dbraw/zinc/37/81/30/500378130.db2.gz AYSWLYJZSADYBW-XHDPSFHLSA-N 2 0 359.695 3.058 20 0 FGADRP [NH3+]Cc1cn([C@H]2CCC[N@H+](Cc3ccc(-c4ccc(F)cc4)s3)C2)nn1 ZINC000570542712 506192053 /nfs/dbraw/zinc/19/20/53/506192053.db2.gz XDKBAJCZOZDOLX-KRWDZBQOSA-N 2 0 371.485 3.442 20 0 FGADRP C[C@@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)c1ccccc1Br ZINC000423509037 500380295 /nfs/dbraw/zinc/38/02/95/500380295.db2.gz LEMUHVUBDZBRSD-QQFBHYJXSA-N 2 0 366.347 3.316 20 0 FGADRP C[C@@H]([NH2+][C@@H](CCC[NH3+])c1ccccc1)c1cccc(NS(C)(=O)=O)c1 ZINC000423511468 500380676 /nfs/dbraw/zinc/38/06/76/500380676.db2.gz TUOSZSMKJOHPAQ-BEFAXECRSA-N 2 0 361.511 3.189 20 0 FGADRP C[C@H](CC(=O)Nc1cccc(F)c1)[NH2+]CC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000423525244 500382373 /nfs/dbraw/zinc/38/23/73/500382373.db2.gz KGTIXZDABYKZKC-XMYZRKPFSA-N 2 0 359.489 3.286 20 0 FGADRP CO[C@@H](c1ccccc1)[C@H](C)[NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1 ZINC000423540662 500383888 /nfs/dbraw/zinc/38/38/88/500383888.db2.gz ABFSGYYNKZSATL-SIKLNZKXSA-N 2 0 367.537 3.346 20 0 FGADRP COc1cccc([C@H](CNC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)[NH+](C)C)c1 ZINC000431558251 500391869 /nfs/dbraw/zinc/39/18/69/500391869.db2.gz RKAXBOZSVONRCM-RTWAWAEBSA-N 2 0 373.541 3.211 20 0 FGADRP C[C@@H](C(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1)[C@@H]([NH3+])c1ccccc1 ZINC000423770152 500400272 /nfs/dbraw/zinc/40/02/72/500400272.db2.gz ZMLUPWVJEVQILZ-OXQOHEQNSA-N 2 0 357.473 3.052 20 0 FGADRP [NH3+]C[C@H](C(=O)Nc1cccc(CC[NH+]2CCCC2)c1)c1ccc(F)cc1 ZINC000423769154 500400392 /nfs/dbraw/zinc/40/03/92/500400392.db2.gz FWQMDLKRCMQWCR-FQEVSTJZSA-N 2 0 355.457 3.145 20 0 FGADRP COc1cccc([C@@H](CNC(=O)CC[C@H]2CCCC[N@@H+]2C)[NH+]2CCCC2)c1 ZINC000431655079 500403509 /nfs/dbraw/zinc/40/35/09/500403509.db2.gz WGZZQMFTDMQPJQ-TZIWHRDSSA-N 2 0 373.541 3.213 20 0 FGADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000431681533 500407814 /nfs/dbraw/zinc/40/78/14/500407814.db2.gz MVHPXRQBFHFGGF-RDGPPVDQSA-N 2 0 352.567 3.059 20 0 FGADRP CC(C)[NH+]1CCN(c2cccc(NC(=O)C[C@H]3CCCC[C@@H]3[NH3+])c2)CC1 ZINC000423837063 500409663 /nfs/dbraw/zinc/40/96/63/500409663.db2.gz GNCGINCKJXAMQD-XLIONFOSSA-N 2 0 358.530 3.063 20 0 FGADRP CC1CC[NH+](CCc2cccc(NC(=O)[C@@H]3CC34CC[NH2+]CC4)c2)CC1 ZINC000423847556 500410966 /nfs/dbraw/zinc/41/09/66/500410966.db2.gz OZMOHTVVRSXHMO-FQEVSTJZSA-N 2 0 355.526 3.289 20 0 FGADRP CC(C)[C@H](Cc1ccccc1)[NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000427722777 500424468 /nfs/dbraw/zinc/42/44/68/500424468.db2.gz VPTHMEVKMXVWEG-NRFANRHFSA-N 2 0 373.585 3.470 20 0 FGADRP COC(=O)c1ccc(-c2nc(C[NH+]3CCC([C@H](C)[NH3+])CC3)cs2)cc1 ZINC000420285913 500434098 /nfs/dbraw/zinc/43/40/98/500434098.db2.gz FAUGEXKKMOAMFI-ZDUSSCGKSA-N 2 0 359.495 3.156 20 0 FGADRP C[N@H+](CC[C@@H]1CC[NH2+]C1)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000420295833 500435943 /nfs/dbraw/zinc/43/59/43/500435943.db2.gz AXPQIQOHUPDNRF-NSHDSACASA-N 2 0 363.811 3.229 20 0 FGADRP [NH3+]C[C@@H]1CCCCN1CCC(=O)N[C@H](c1cccs1)c1ccccc1 ZINC000420300649 500436963 /nfs/dbraw/zinc/43/69/63/500436963.db2.gz VBWHJEOBZBMCJX-PXNSSMCTSA-N 2 0 357.523 3.157 20 0 FGADRP Cc1cc(C)c(C(=O)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)c(C)c1 ZINC000424020812 500437746 /nfs/dbraw/zinc/43/77/46/500437746.db2.gz PYMPTKPHLUYTLQ-UHFFFAOYSA-N 2 0 365.521 3.335 20 0 FGADRP CCCCS[C@@H](C)C(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000424025580 500438911 /nfs/dbraw/zinc/43/89/11/500438911.db2.gz ZMLJCQKNNSQDTO-KRWDZBQOSA-N 2 0 363.571 3.018 20 0 FGADRP O=C(c1cccc(C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1)N1CCCCC1 ZINC000420324179 500441714 /nfs/dbraw/zinc/44/17/14/500441714.db2.gz GWVLTTJEYZNXKJ-SFTDATJTSA-N 2 0 355.526 3.134 20 0 FGADRP C[C@H](C(=O)Nc1cc(Cl)ccc1Cl)[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420329441 500442866 /nfs/dbraw/zinc/44/28/66/500442866.db2.gz GURGDBIEDCHOBT-UPJWGTAASA-N 2 0 356.297 3.252 20 0 FGADRP C[C@H](C(=O)Nc1cccc(C(F)(F)F)c1)[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000420337136 500444108 /nfs/dbraw/zinc/44/41/08/500444108.db2.gz JMZRDRIWKVJXBR-CXAGYDPISA-N 2 0 369.431 3.496 20 0 FGADRP C[C@H](c1nc(Cc2ccc(F)cc2)no1)[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420339933 500444824 /nfs/dbraw/zinc/44/48/24/500444824.db2.gz ZKDVAICXSJEXIW-DJIMGWMZSA-N 2 0 358.461 3.182 20 0 FGADRP CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000431983959 500451738 /nfs/dbraw/zinc/45/17/38/500451738.db2.gz WDZLTFPVJIMBKZ-SLFFLAALSA-N 2 0 366.594 3.307 20 0 FGADRP Brc1cccc(OCC[N@@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)c1 ZINC000420384428 500452450 /nfs/dbraw/zinc/45/24/50/500452450.db2.gz DSYYMRRZEFLTLR-WMLDXEAASA-N 2 0 353.304 3.292 20 0 FGADRP [NH3+][C@H]1CCO[C@H](C2CC[NH+](CCOc3ccccc3C(F)(F)F)CC2)C1 ZINC000420390447 500453948 /nfs/dbraw/zinc/45/39/48/500453948.db2.gz NKEQZZSWKBVXQE-YJBOKZPZSA-N 2 0 372.431 3.303 20 0 FGADRP C[C@H](C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1)[C@@H]([NH3+])c1ccccc1 ZINC000424214183 500470106 /nfs/dbraw/zinc/47/01/06/500470106.db2.gz BTVDUSLYEZSZPC-GUGJDKNPSA-N 2 0 363.505 3.055 20 0 FGADRP COc1ccc([C@H](C)[NH2+]C[C@@H](C(C)C)N2CC[NH+](C)CC2)c(Cl)c1 ZINC000424268597 500479136 /nfs/dbraw/zinc/47/91/36/500479136.db2.gz NUWULGWRKPKGDQ-KXBFYZLASA-N 2 0 353.938 3.271 20 0 FGADRP CCc1nc(C)c(C[N@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)o1 ZINC000428205024 500481094 /nfs/dbraw/zinc/48/10/94/500481094.db2.gz HBLQGFZIPWDKFT-UHFFFAOYSA-N 2 0 362.562 3.174 20 0 FGADRP CC[C@H](NC(=O)C[N@@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2)c1ccc(Cl)cc1 ZINC000424287627 500481938 /nfs/dbraw/zinc/48/19/38/500481938.db2.gz JERLXMPLQXHAQR-YJBOKZPZSA-N 2 0 363.933 3.371 20 0 FGADRP C[C@@H](NC(=O)C[N@@H+]1CC2(C[C@H]1C)CC[NH2+]CC2)c1ccc2c(c1)CCCC2 ZINC000424295862 500482542 /nfs/dbraw/zinc/48/25/42/500482542.db2.gz RLJSHSCQSBWAFG-QZTJIDSGSA-N 2 0 369.553 3.207 20 0 FGADRP CC(C)O[C@H](C[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1)c1ccccc1 ZINC000428283947 500491538 /nfs/dbraw/zinc/49/15/38/500491538.db2.gz CJIMOGOEZVZOAU-BAGYTPMASA-N 2 0 359.558 3.111 20 0 FGADRP C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000424362586 500491882 /nfs/dbraw/zinc/49/18/82/500491882.db2.gz AHVLNMXCAAJPQT-KCPJHIHWSA-N 2 0 354.292 3.026 20 0 FGADRP Cc1ccc([C@@H](CNC(=O)Nc2cc(C)cc(C[NH3+])c2)[NH+]2CCCC2)o1 ZINC000424432384 500504662 /nfs/dbraw/zinc/50/46/62/500504662.db2.gz HFWLJRUNVMHTEV-GOSISDBHSA-N 2 0 356.470 3.314 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)NC1CCC([NH+](C)C)CC1 ZINC000420893463 500524055 /nfs/dbraw/zinc/52/40/55/500524055.db2.gz FBYZMWVRNLZWAP-KMFTYDHNSA-N 2 0 372.557 3.165 20 0 FGADRP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)c1cccc(C[N@H+](C)Cc2ccccc2)c1 ZINC000432521631 500526726 /nfs/dbraw/zinc/52/67/26/500526726.db2.gz ZDAOWBWKWZNQHK-UTKZUKDTSA-N 2 0 351.494 3.046 20 0 FGADRP CC[N@@H+]1CCCN(C(=O)NCc2ccccc2C[NH+]2CCC[C@@H](C)C2)CC1 ZINC000428697523 500545066 /nfs/dbraw/zinc/54/50/66/500545066.db2.gz DHAFCXONQIBIFN-LJQANCHMSA-N 2 0 372.557 3.156 20 0 FGADRP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@H](C(C)C)C2)CC1 ZINC000432790285 500563899 /nfs/dbraw/zinc/56/38/99/500563899.db2.gz BSGXOQINXNHJDA-FQEVSTJZSA-N 2 0 371.569 3.444 20 0 FGADRP COc1ccc(C[C@H](C)C[NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)cc1F ZINC000433032793 500609733 /nfs/dbraw/zinc/60/97/33/500609733.db2.gz SDKMMNZVIUITRN-DLBZAZTESA-N 2 0 352.494 3.103 20 0 FGADRP CC(C)N(C)C(=O)[C@@H](C)[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433049489 500613259 /nfs/dbraw/zinc/61/32/59/500613259.db2.gz VFWDDZZEIRIVPT-LJQANCHMSA-N 2 0 357.542 3.230 20 0 FGADRP C[C@@H]1C[C@@H](NC(=O)c2cccc(C[N@H+](C)Cc3ccccc3)c2)CC[NH2+]1 ZINC000447513860 500615277 /nfs/dbraw/zinc/61/52/77/500615277.db2.gz ZLRISHPPEOAFOT-UTKZUKDTSA-N 2 0 351.494 3.189 20 0 FGADRP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1CCC(=O)N[C@@H](c1cccs1)c1ccccc1 ZINC000442783602 500625169 /nfs/dbraw/zinc/62/51/69/500625169.db2.gz QFOSKTVCFZUPQG-GQIGUUNPSA-N 2 0 357.523 3.013 20 0 FGADRP C[C@@H](NC(=O)CCC[NH+]1CCC([NH3+])CC1)c1ccc(-c2ccncc2)cc1 ZINC000433112711 500628496 /nfs/dbraw/zinc/62/84/96/500628496.db2.gz AFSHPAZTSLAJBG-QGZVFWFLSA-N 2 0 366.509 3.129 20 0 FGADRP [NH3+]C1CC[NH+](CCCC(=O)NCC(c2ccccc2)c2ccccc2)CC1 ZINC000433119796 500630017 /nfs/dbraw/zinc/63/00/17/500630017.db2.gz WNSUCIDGHYIHTD-UHFFFAOYSA-N 2 0 365.521 3.138 20 0 FGADRP CCCOc1ccc(Cl)cc1NC(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433127147 500631669 /nfs/dbraw/zinc/63/16/69/500631669.db2.gz RFLVKRFHDRWCMU-UHFFFAOYSA-N 2 0 353.894 3.271 20 0 FGADRP [NH3+]C1CC[NH+](CCCC(=O)Nc2ccc(OCc3ccccc3)cc2)CC1 ZINC000433130394 500632146 /nfs/dbraw/zinc/63/21/46/500632146.db2.gz HQWZHNBDOYEYES-UHFFFAOYSA-N 2 0 367.493 3.407 20 0 FGADRP CC[C@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)c1cc(Cl)ccc1OC ZINC000442875651 500637806 /nfs/dbraw/zinc/63/78/06/500637806.db2.gz OLESIDUUPFHJPB-KRWDZBQOSA-N 2 0 353.938 3.415 20 0 FGADRP C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)C[C@H](c1ccccc1)[NH+](C)C ZINC000433316563 500670721 /nfs/dbraw/zinc/67/07/21/500670721.db2.gz ITNJREITTVNFLL-OAQYLSRUSA-N 2 0 371.500 3.409 20 0 FGADRP COc1ccc([C@H]2CCCCCN2C(=O)C[N@@H+]2CCC[C@@H](CC[NH3+])C2)cc1 ZINC000443058651 500670928 /nfs/dbraw/zinc/67/09/28/500670928.db2.gz KWOQZIGIDVLUKD-GHTZIAJQSA-N 2 0 373.541 3.200 20 0 FGADRP C[NH+](C)Cc1ccc(CNC(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)cc1 ZINC000437634773 500672431 /nfs/dbraw/zinc/67/24/31/500672431.db2.gz KZIKBOCGPMPHAH-OAQYLSRUSA-N 2 0 372.557 3.345 20 0 FGADRP C[C@@H](C(=O)N(c1nccs1)C1CCCCC1)[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443073190 500675195 /nfs/dbraw/zinc/67/51/95/500675195.db2.gz OXZGKDOKTUXEJP-HOTGVXAUSA-N 2 0 364.559 3.258 20 0 FGADRP CC(C)(C)[NH+]1CCC(NC(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)CC1 ZINC000437662499 500678453 /nfs/dbraw/zinc/67/84/53/500678453.db2.gz NBZKKTGQBBNHHF-LJQANCHMSA-N 2 0 364.578 3.346 20 0 FGADRP C[C@H]1C[NH+](CC2CC[NH+](Cc3c[nH]nc3-c3ccsc3)CC2)C[C@H](C)O1 ZINC000437688651 500681796 /nfs/dbraw/zinc/68/17/96/500681796.db2.gz BGLZJSDICHGIFW-HOTGVXAUSA-N 2 0 374.554 3.459 20 0 FGADRP C[C@H]1C[N@H+](CCOc2ccc(CC[NH2+]CC[C@H]3CCOC3)cc2)C[C@H]1C ZINC000437776314 500693587 /nfs/dbraw/zinc/69/35/87/500693587.db2.gz PDEXMSJZURTRKU-ZVDOUQERSA-N 2 0 360.542 3.212 20 0 FGADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)NC[C@H]2CCC[NH+]2C2CCCCC2)C1 ZINC000437776810 500693739 /nfs/dbraw/zinc/69/37/39/500693739.db2.gz PXYYIDPNUWQEAU-UYAOXDASSA-N 2 0 364.578 3.061 20 0 FGADRP CC[NH+]1CCC(CCNC(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)CC1 ZINC000437809206 500699920 /nfs/dbraw/zinc/69/99/20/500699920.db2.gz JQGKJKUOWUIGQA-FQEVSTJZSA-N 2 0 364.578 3.205 20 0 FGADRP CC[N@H+](C)C[C@H]1CCN(C(=O)[C@@]23CCC[C@@H]2C[NH+](Cc2ccccc2)C3)C1 ZINC000443296606 500705575 /nfs/dbraw/zinc/70/55/75/500705575.db2.gz PKLURDRXNMFCJV-MQSCRBSSSA-N 2 0 369.553 3.089 20 0 FGADRP C[C@@H](C(=O)NCc1ccccc1)[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000443589196 500742482 /nfs/dbraw/zinc/74/24/82/500742482.db2.gz KBVNNTLSPVKMGV-IBGZPJMESA-N 2 0 357.542 3.279 20 0 FGADRP CC[NH+](CC)[C@@H](C(=O)NCC1([NH3+])CCC1)c1cccc(C(F)(F)F)c1 ZINC000582418951 506217958 /nfs/dbraw/zinc/21/79/58/506217958.db2.gz ZJWPXUFMOODSAU-OAHLLOKOSA-N 2 0 357.420 3.086 20 0 FGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]CCc2ccncc2)CC1 ZINC000438974564 500842678 /nfs/dbraw/zinc/84/26/78/500842678.db2.gz PDKKYWPXHLEYOH-KRWDZBQOSA-N 2 0 356.489 3.256 20 0 FGADRP C[NH+](C)[C@H](CNC(=O)C[N@@H+](C)CC1(c2ccccc2)CC1)c1ccccc1 ZINC000444678705 500877921 /nfs/dbraw/zinc/87/79/21/500877921.db2.gz YCYKHYPROGZZCL-OAQYLSRUSA-N 2 0 365.521 3.069 20 0 FGADRP COc1cccc2c(C[NH+]3CCN(CC[NH+]4CCCC4)CC3)cccc12 ZINC000449006856 500894105 /nfs/dbraw/zinc/89/41/05/500894105.db2.gz ICRXUPQRPFMOGI-UHFFFAOYSA-N 2 0 353.510 3.062 20 0 FGADRP CC(C)[C@H](CNC(=O)NCC1CC[NH+](C2CC2)CC1)[NH+]1CCCCCC1 ZINC000444886792 500917553 /nfs/dbraw/zinc/91/75/53/500917553.db2.gz QJTHGXXFYVSKDG-FQEVSTJZSA-N 2 0 364.578 3.061 20 0 FGADRP C[C@@H](C[NH2+]CCCC[N@@H+]1CCC[C@H](C)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000449081675 500920214 /nfs/dbraw/zinc/92/02/14/500920214.db2.gz HBOZUROXWNNBNG-ROUUACIJSA-N 2 0 366.571 3.295 20 0 FGADRP CC[NH+]1CCN(Cc2ccccc2C[NH2+]C2CCC(COC)CC2)CC1 ZINC000449081923 500920423 /nfs/dbraw/zinc/92/04/23/500920423.db2.gz IZAVMWANSXJRIW-UHFFFAOYSA-N 2 0 359.558 3.119 20 0 FGADRP Cc1cnc(C[NH2+]CCCC[NH+]2CCN(Cc3ccccc3)CC2)s1 ZINC000449091112 500922669 /nfs/dbraw/zinc/92/26/69/500922669.db2.gz PQWXHFWXRYRESJ-UHFFFAOYSA-N 2 0 358.555 3.139 20 0 FGADRP C[C@@H]1C[NH+](Cc2ccccc2C[NH2+][C@H]2CCOC3(CCC3)C2)C[C@@H](C)O1 ZINC000449107443 500926564 /nfs/dbraw/zinc/92/65/64/500926564.db2.gz MQBFANNUHMGSKQ-OPYAIIAOSA-N 2 0 358.526 3.487 20 0 FGADRP C[C@H]([C@H](C)[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1)N1CCOCC1 ZINC000449132781 500931754 /nfs/dbraw/zinc/93/17/54/500931754.db2.gz BKSSSBIZJJUMQP-ZWKOTPCHSA-N 2 0 353.595 3.364 20 0 FGADRP C[C@@H]([NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1)[C@@H](C)N1CCOCC1 ZINC000449132779 500931993 /nfs/dbraw/zinc/93/19/93/500931993.db2.gz BKSSSBIZJJUMQP-QZTJIDSGSA-N 2 0 353.595 3.364 20 0 FGADRP C[C@@H]1C[C@@H]([NH2+]Cc2cc(C(F)(F)F)ccc2N2CC[NH+](C)CC2)[C@@H](C)O1 ZINC000449155096 500936728 /nfs/dbraw/zinc/93/67/28/500936728.db2.gz OYUMRQRWHBNJAQ-CKEIUWERSA-N 2 0 371.447 3.113 20 0 FGADRP COc1cc(C)ccc1C[NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1 ZINC000449172122 500940600 /nfs/dbraw/zinc/94/06/00/500940600.db2.gz BQBUKIZNOSMRGA-UHFFFAOYSA-N 2 0 354.494 3.250 20 0 FGADRP CC(C)[NH+]1CCC(O)(C[NH2+]Cc2cnc(CCc3ccccc3)s2)CC1 ZINC000449187900 500943822 /nfs/dbraw/zinc/94/38/22/500943822.db2.gz JOBRBNCUVHAJLC-UHFFFAOYSA-N 2 0 373.566 3.253 20 0 FGADRP O=C(c1ccc(Oc2ccncc2)c(Cl)c1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000435240175 500947187 /nfs/dbraw/zinc/94/71/87/500947187.db2.gz ZVZYDJXAGCQHAZ-OAHLLOKOSA-N 2 0 357.841 3.494 20 0 FGADRP OC[C@@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+]Cc1cc2cccnc2o1 ZINC000449234581 500953762 /nfs/dbraw/zinc/95/37/62/500953762.db2.gz QQNMWWZSBFJIAG-IBGZPJMESA-N 2 0 351.450 3.074 20 0 FGADRP CN(c1ccccc1CN1CCC([NH2+]CC2CC2)CC1)C1CC[NH+](C)CC1 ZINC000435369236 500960542 /nfs/dbraw/zinc/96/05/42/500960542.db2.gz DQHIKYSQJZCHGP-UHFFFAOYSA-N 2 0 370.585 3.181 20 0 FGADRP COc1cccc(-c2nn(C(C)(C)C)cc2C[N@@H+]2CC[C@H]([C@H](C)[NH3+])C2)c1 ZINC000435375288 500961922 /nfs/dbraw/zinc/96/19/22/500961922.db2.gz LMKWSTPALKHAEV-RDJZCZTQSA-N 2 0 356.514 3.483 20 0 FGADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3cn(-c4ccccc4)nc3-c3cccnc3)C[C@H]21 ZINC000435383896 500964247 /nfs/dbraw/zinc/96/42/47/500964247.db2.gz JUWFIWIUEJMKBC-STZQEDGTSA-N 2 0 373.504 3.494 20 0 FGADRP C[NH2+]C[C@@H]1CCN(Cc2cn(-c3ccccc3)nc2-c2ccc(C)o2)C1 ZINC000435384750 500965051 /nfs/dbraw/zinc/96/50/51/500965051.db2.gz OCTHJQZMQKMVHM-KRWDZBQOSA-N 2 0 350.466 3.482 20 0 FGADRP COc1ccc(CN2CCC[C@H](C)[C@@H]2C[NH3+])cc1OCc1cccnc1 ZINC000435391359 500966743 /nfs/dbraw/zinc/96/67/43/500966743.db2.gz SEHDGDTYKKKVPB-LPHOPBHVSA-N 2 0 355.482 3.228 20 0 FGADRP COc1cc(CN(Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)cc(OC)c1 ZINC000435392679 500966754 /nfs/dbraw/zinc/96/67/54/500966754.db2.gz HINFJAPSKFAUDE-LJQANCHMSA-N 2 0 355.482 3.243 20 0 FGADRP c1nn(-c2ccccc2)cc1CN(Cc1ccccn1)[C@@H]1CCC[NH2+]CC1 ZINC000435390982 500966850 /nfs/dbraw/zinc/96/68/50/500966850.db2.gz QYTBTVVXWTZZJO-OAQYLSRUSA-N 2 0 361.493 3.412 20 0 FGADRP c1cn(-c2ccc(CN(Cc3ccccn3)[C@@H]3CCC[NH2+]CC3)cc2)cn1 ZINC000435392763 500966943 /nfs/dbraw/zinc/96/69/43/500966943.db2.gz XMZSROWRICKTPL-OAQYLSRUSA-N 2 0 361.493 3.412 20 0 FGADRP C[C@H](COc1ccc(Cl)c(Cl)c1)[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000449305318 500971640 /nfs/dbraw/zinc/97/16/40/500971640.db2.gz RTLXRZVHMAQNAZ-CQSZACIVSA-N 2 0 374.356 3.376 20 0 FGADRP CC(C)C1CCC([NH+]2CCN(C(=O)N[C@@H]3CC[N@H+](C)[C@@H](C)C3)CC2)CC1 ZINC000440197896 500986226 /nfs/dbraw/zinc/98/62/26/500986226.db2.gz WVKGLCVVNPEBAF-LHQJTOJGSA-N 2 0 364.578 3.011 20 0 FGADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]C2CCC(CS(C)(=O)=O)CC2)CC1 ZINC000449369136 500988343 /nfs/dbraw/zinc/98/83/43/500988343.db2.gz BBRJMZQPCMPSSD-KMEYYKJISA-N 2 0 370.603 3.223 20 0 FGADRP CN(c1ccccc1C[NH2+][C@@H]([C@H](CO)C1CC1)C1CC1)C1CC[NH+](C)CC1 ZINC000449507156 501020439 /nfs/dbraw/zinc/02/04/39/501020439.db2.gz LSZGDNQVHBVFQK-FYYLOGMGSA-N 2 0 371.569 3.104 20 0 FGADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]C[C@@]1(C)OCCc2sccc21 ZINC000582455942 506231993 /nfs/dbraw/zinc/23/19/93/506231993.db2.gz SMUQWQFOOJJHFI-LJQANCHMSA-N 2 0 354.479 3.215 20 0 FGADRP CC[NH+]1CCN(CC(C)(C)[NH2+]C[C@@H](C)Cc2ccc(OC)c(F)c2)CC1 ZINC000449747512 501074865 /nfs/dbraw/zinc/07/48/65/501074865.db2.gz XKDUCLCIXNHINX-KRWDZBQOSA-N 2 0 365.537 3.019 20 0 FGADRP CC[NH+](CC)CC1CCN(C(=O)NC[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000611626145 506232917 /nfs/dbraw/zinc/23/29/17/506232917.db2.gz ZMRBHLHRAWIJIK-HXUWFJFHSA-N 2 0 360.546 3.053 20 0 FGADRP CCC[NH+]1CCC(NC(=O)NCC[NH+]2CCC3(CCCCC3)CC2)CC1 ZINC000441044262 501079051 /nfs/dbraw/zinc/07/90/51/501079051.db2.gz WHCHDNYORXQZMJ-UHFFFAOYSA-N 2 0 364.578 3.206 20 0 FGADRP CC(C)[N@@H+]1CC[C@@H](N(C)Cc2ccccc2N(C)C2CC[NH+](C)CC2)C1 ZINC000449785992 501086876 /nfs/dbraw/zinc/08/68/76/501086876.db2.gz KJLSXINHFVSGQQ-OAQYLSRUSA-N 2 0 358.574 3.132 20 0 FGADRP CO[C@H](Cc1ccccc1)C[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000450339781 501094910 /nfs/dbraw/zinc/09/49/10/501094910.db2.gz BTGWUKYRMPARBL-XQBPLPMBSA-N 2 0 360.542 3.065 20 0 FGADRP CC[N@H+](Cc1ccc(C(=O)N(CC[NH+](C)C)Cc2ccco2)cc1)C1CC1 ZINC000446429964 501120520 /nfs/dbraw/zinc/12/05/20/501120520.db2.gz QYGCNWFJLFAUPP-UHFFFAOYSA-N 2 0 369.509 3.468 20 0 FGADRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)Nc2ccccc2CC[NH+](C)C)C1 ZINC000446564645 501133976 /nfs/dbraw/zinc/13/39/76/501133976.db2.gz LOOMBEIBCOLUJM-QGZVFWFLSA-N 2 0 360.546 3.423 20 0 FGADRP COc1cc(Br)ccc1C[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000446884746 501176769 /nfs/dbraw/zinc/17/67/69/501176769.db2.gz QXSWYCVQHXHXAT-UHFFFAOYSA-N 2 0 353.304 3.422 20 0 FGADRP COc1c(Br)cccc1C[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000446884752 501177475 /nfs/dbraw/zinc/17/74/75/501177475.db2.gz RBEYBTJOBOSZGH-UHFFFAOYSA-N 2 0 353.304 3.422 20 0 FGADRP Cc1ncsc1C[NH+](C)C[C@H]1CCN(C[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC000450878763 501223284 /nfs/dbraw/zinc/22/32/84/501223284.db2.gz TXOCNTBSNWZYNZ-MOPGFXCFSA-N 2 0 364.603 3.468 20 0 FGADRP CC(C)[NH+]1CCN(CCCN2CCc3c(Cl)cc(F)cc3C2)CC1 ZINC000451160447 501248987 /nfs/dbraw/zinc/24/89/87/501248987.db2.gz GULLVVZWFUWYAL-UHFFFAOYSA-N 2 0 353.913 3.253 20 0 FGADRP COC(=O)[C@H]1CC[C@@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)C1 ZINC000453218864 501292950 /nfs/dbraw/zinc/29/29/50/501292950.db2.gz NUUCYZQLIJQSQK-SRHPJPHMSA-N 2 0 356.510 3.361 20 0 FGADRP CCc1cccc(C[N@@H+]2CCC[C@@H](CN3CCCN(C(C)=O)CC3)C2)c1 ZINC000451529607 501313441 /nfs/dbraw/zinc/31/34/41/501313441.db2.gz NKWIECFQXSSBNW-QFIPXVFZSA-N 2 0 357.542 3.015 20 0 FGADRP C[NH+](C)CCN(Cc1ccsc1)C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000457898884 501331113 /nfs/dbraw/zinc/33/11/13/501331113.db2.gz KNXHGSMUIKJJGQ-UHFFFAOYSA-N 2 0 366.575 3.084 20 0 FGADRP CC[C@H]1CN(C(=O)NCCCC[NH+](C)C2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000455601091 501343770 /nfs/dbraw/zinc/34/37/70/501343770.db2.gz BZGOQCJZQIMGFN-FQEVSTJZSA-N 2 0 372.557 3.167 20 0 FGADRP C[N@H+](CCCC[NH2+]Cc1cccc(I)c1)C1CC1 ZINC000453595789 501356795 /nfs/dbraw/zinc/35/67/95/501356795.db2.gz KTSUDVSXFUBVPN-UHFFFAOYSA-N 2 0 358.267 3.255 20 0 FGADRP C[N@H+](CCCC[NH2+]Cc1cn(-c2ccc(F)cc2Cl)nn1)C1CC1 ZINC000453601791 501358704 /nfs/dbraw/zinc/35/87/04/501358704.db2.gz VWUILSSSNAOEMP-UHFFFAOYSA-N 2 0 351.857 3.024 20 0 FGADRP COc1cc(Br)c(C[NH2+]CCCC[N@H+](C)C2CC2)c(OC)c1 ZINC000453602514 501358731 /nfs/dbraw/zinc/35/87/31/501358731.db2.gz WGFNKWFRIRVPTM-UHFFFAOYSA-N 2 0 371.319 3.430 20 0 FGADRP Cc1cc(NC(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)cn2ccnc12 ZINC000455671059 501361342 /nfs/dbraw/zinc/36/13/42/501361342.db2.gz WIQGQBVEWILWCD-MRXNPFEDSA-N 2 0 353.426 3.194 20 0 FGADRP C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000455847110 501399432 /nfs/dbraw/zinc/39/94/32/501399432.db2.gz IRNHKVASYMZXEM-XFQXTVEOSA-N 2 0 356.514 3.326 20 0 FGADRP CC[NH+]1CCN(CC(C)(C)[NH2+]CCSc2ccc(Cl)cc2)CC1 ZINC000451996028 501415335 /nfs/dbraw/zinc/41/53/35/501415335.db2.gz XSSNASQCMQJECY-UHFFFAOYSA-N 2 0 355.979 3.438 20 0 FGADRP COc1cccc([C@H]2C[C@H]([N@H+](C)CCCN3CC[NH+](C(C)C)CC3)C2)c1 ZINC000452010953 501418157 /nfs/dbraw/zinc/41/81/57/501418157.db2.gz CAMRKEKAULDWTH-MEMLXQNLSA-N 2 0 359.558 3.289 20 0 FGADRP C[NH+](C)[C@@H]1CCc2cc(NC(=O)NC3C[C@H]4CCC[C@@H](C3)[N@H+]4C)ccc21 ZINC000455936424 501420315 /nfs/dbraw/zinc/42/03/15/501420315.db2.gz RUYDZSJCWLKFSP-AQDPXUSMSA-N 2 0 356.514 3.372 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc2cnccc2c1 ZINC000455982403 501431716 /nfs/dbraw/zinc/43/17/16/501431716.db2.gz LOOQSEOHEVTPLO-FQEVSTJZSA-N 2 0 369.513 3.115 20 0 FGADRP C[C@H](CCNC(=O)N1CC[C@]2(C1)CCC[N@H+](C)C2)[NH+](C)Cc1ccccc1 ZINC000458508434 501462084 /nfs/dbraw/zinc/46/20/84/501462084.db2.gz OKNMJMTUVXAEBP-DENIHFKCSA-N 2 0 372.557 3.024 20 0 FGADRP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C)C1 ZINC000458519181 501464621 /nfs/dbraw/zinc/46/46/21/501464621.db2.gz WCDFCTBHJUHCAR-HLAWJBBLSA-N 2 0 372.557 3.021 20 0 FGADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)NCC2([NH+](C)Cc3ccccc3)CCC2)C1 ZINC000458977054 501569581 /nfs/dbraw/zinc/56/95/81/501569581.db2.gz OSCUZAPKKWJBSJ-FQEVSTJZSA-N 2 0 372.557 3.024 20 0 FGADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NCCCC[NH+](C)C1CC1 ZINC000454619994 501593843 /nfs/dbraw/zinc/59/38/43/501593843.db2.gz OMXNUJMEUJTZQN-RXVVDRJESA-N 2 0 372.557 3.071 20 0 FGADRP C[C@H]1C[C@@H](NC(=O)N2CC[NH+](C(C)(C)CC(C)(C)C)CC2)CC[N@@H+]1C ZINC000454646025 501600309 /nfs/dbraw/zinc/60/03/09/501600309.db2.gz PIZAEXDZFVMQPG-IRXDYDNUSA-N 2 0 352.567 3.011 20 0 FGADRP Cn1cncc1CCN1CC[NH+](CCC23CC4CC(CC(C4)C2)C3)CC1 ZINC000459350810 501637293 /nfs/dbraw/zinc/63/72/93/501637293.db2.gz STFWQJYKOIXXFT-UHFFFAOYSA-N 2 0 356.558 3.187 20 0 FGADRP CC(C)(C[NH2+]C1CCN(c2cc[nH+]cc2)CC1)N1CCc2ccccc2C1 ZINC000459398468 501646603 /nfs/dbraw/zinc/64/66/03/501646603.db2.gz ZFVDDZNSMZWFPL-UHFFFAOYSA-N 2 0 364.537 3.477 20 0 FGADRP c1cc(N2CCC([NH2+]CC3(N4CCSCC4)CCCCC3)CC2)cc[nH+]1 ZINC000459410408 501648942 /nfs/dbraw/zinc/64/89/42/501648942.db2.gz IGCWLTRTEGWJBZ-UHFFFAOYSA-N 2 0 374.598 3.392 20 0 FGADRP CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)[C@H]1SC ZINC000459414128 501649676 /nfs/dbraw/zinc/64/96/76/501649676.db2.gz PSIUDLCGARVWTI-XUVXKRRUSA-N 2 0 364.555 3.160 20 0 FGADRP CN(C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000459416132 501650154 /nfs/dbraw/zinc/65/01/54/501650154.db2.gz QBHXTWLCSKUWMW-ZRBLBEILSA-N 2 0 364.537 3.281 20 0 FGADRP C[NH+]1CCC(Oc2ccc(C[NH2+]Cc3cnc(C4CC4)nc3)cc2)CC1 ZINC000459521713 501669279 /nfs/dbraw/zinc/66/92/79/501669279.db2.gz JGPIDWKQTOOWHG-UHFFFAOYSA-N 2 0 352.482 3.117 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N1CC[C@]2(C1)CCC[N@H+](C)C2)c1ccccc1 ZINC000457457441 501701910 /nfs/dbraw/zinc/70/19/10/501701910.db2.gz NROKTAIHGSYTQO-IFMALSPDSA-N 2 0 372.557 3.197 20 0 FGADRP COc1ccc([C@H](CO)C[NH2+][C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000459764047 501710722 /nfs/dbraw/zinc/71/07/22/501710722.db2.gz WNIQZMUJYBRLEN-BWAGFHJFSA-N 2 0 368.521 3.271 20 0 FGADRP CC1CCN(Cc2csc(NC(=O)C[N@H+](C)C3CC(C)(C)C3)n2)CC1 ZINC000459777820 501712445 /nfs/dbraw/zinc/71/24/45/501712445.db2.gz YQIJYNREGYGDLB-UHFFFAOYSA-N 2 0 364.559 3.434 20 0 FGADRP CC[NH+](CC)Cc1ccc(CNC(=O)NCC[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000457529577 501717285 /nfs/dbraw/zinc/71/72/85/501717285.db2.gz PQEBSGSWCBDBDN-IBGZPJMESA-N 2 0 360.546 3.060 20 0 FGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]C2CC(OCc3ccccc3)C2)[C@H](C)C1 ZINC000463572082 501765577 /nfs/dbraw/zinc/76/55/77/501765577.db2.gz XFFZWWUWNHZZGB-DZVQBONVSA-N 2 0 360.542 3.461 20 0 FGADRP O=C(c1ccc2c(c1)CC[NH2+]CC2)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000474294253 501779321 /nfs/dbraw/zinc/77/93/21/501779321.db2.gz NVPXNDYSOYZVHX-UHFFFAOYSA-N 2 0 369.553 3.103 20 0 FGADRP CC[C@@H](C)[N@H+](C)CCNC(=O)N(C)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000470718456 501781249 /nfs/dbraw/zinc/78/12/49/501781249.db2.gz SGKMWJQWXKDUSA-QUCCMNQESA-N 2 0 360.546 3.023 20 0 FGADRP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](C[C@H](O)Cc2ccc3ccccc3c2)C1 ZINC000470774017 501798605 /nfs/dbraw/zinc/79/86/05/501798605.db2.gz QRQOFUJUOMXDIW-NZQKXSOJSA-N 2 0 352.522 3.407 20 0 FGADRP C[C@@H]1CC[C@H]([NH2+]Cc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)C[C@@H]1C ZINC000463736996 501806138 /nfs/dbraw/zinc/80/61/38/501806138.db2.gz XOCAXFYBSWAJGJ-OVQGTLEDSA-N 2 0 357.542 3.298 20 0 FGADRP C[C@@H]1CC[C@H]([NH2+]Cc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)C[C@H]1C ZINC000463736995 501806825 /nfs/dbraw/zinc/80/68/25/501806825.db2.gz XOCAXFYBSWAJGJ-JYWFKMLOSA-N 2 0 357.542 3.298 20 0 FGADRP C[C@@H]1C[NH+](CCC2CC[NH+](CCCO[C@H]3CCCCO3)CC2)C[C@@H](C)O1 ZINC000460383392 501809999 /nfs/dbraw/zinc/80/99/99/501809999.db2.gz IAKYWFNHLFLCCQ-SBHAEUEKSA-N 2 0 368.562 3.131 20 0 FGADRP C[C@H]([NH2+][C@@H]1CC(=O)N(c2ccccc2)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000477855721 501810166 /nfs/dbraw/zinc/81/01/66/501810166.db2.gz ILOXKDNQNWYRDC-PKOBYXMFSA-N 2 0 367.493 3.083 20 0 FGADRP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+]1CCCC2(CCC2)C1 ZINC000470867810 501835149 /nfs/dbraw/zinc/83/51/49/501835149.db2.gz GKAHFQCQAPGOKE-LJQANCHMSA-N 2 0 369.553 3.422 20 0 FGADRP CC[N@H+](Cc1ccc(C(=O)N2CCC3(CC[NH2+]CC3)CC2)cc1)C1CC1 ZINC000477951374 501838205 /nfs/dbraw/zinc/83/82/05/501838205.db2.gz SBXUZGUORNMKKL-UHFFFAOYSA-N 2 0 355.526 3.277 20 0 FGADRP CCOC[C@H]1CCC[C@H]1[NH2+]Cc1ccc(CN2CC[NH+](CC)CC2)cc1 ZINC000474464891 501845266 /nfs/dbraw/zinc/84/52/66/501845266.db2.gz VGDZSZTYXFPBHP-FGZHOGPDSA-N 2 0 359.558 3.119 20 0 FGADRP [NH3+]CCN(Cc1ccccc1)C(=O)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000467697913 501847353 /nfs/dbraw/zinc/84/73/53/501847353.db2.gz UQVNPKPCBHHVIJ-FQEVSTJZSA-N 2 0 369.484 3.025 20 0 FGADRP COc1ccc(NC(=O)CC[NH+]2CCC(CC[NH+](C)C)CC2)cc1Cl ZINC000485677512 501897603 /nfs/dbraw/zinc/89/76/03/501897603.db2.gz ZAJZBFKRHQSSNF-UHFFFAOYSA-N 2 0 367.921 3.341 20 0 FGADRP C[C@H]([NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1)C1C(C)(C)C1(C)C ZINC000474729144 501935063 /nfs/dbraw/zinc/93/50/63/501935063.db2.gz NVGFGYCOWJKURE-KRWDZBQOSA-N 2 0 359.562 3.039 20 0 FGADRP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)CC[N@@H+]2CCc3ccccc3C2)C1 ZINC000474729809 501935924 /nfs/dbraw/zinc/93/59/24/501935924.db2.gz GTVFECFFAAGXTR-WOJBJXKFSA-N 2 0 371.569 3.309 20 0 FGADRP CC[NH+]1CCN(c2cccc(NC(=O)[C@@H]3CCC[N@@H+]3C3CCCC3)c2)CC1 ZINC000474831543 501966472 /nfs/dbraw/zinc/96/64/72/501966472.db2.gz LMLHAQNGKCLSFZ-NRFANRHFSA-N 2 0 370.541 3.174 20 0 FGADRP CC(C)(CNC(=O)NC1CC[NH+](C2CCCCC2)CC1)C[NH+]1CCCC1 ZINC000478423439 501978048 /nfs/dbraw/zinc/97/80/48/501978048.db2.gz YTDKEIAVTPFCJV-UHFFFAOYSA-N 2 0 364.578 3.205 20 0 FGADRP C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)[C@H](C[NH+]2CCCC2)c2ccccc2)C1 ZINC000611756663 506286470 /nfs/dbraw/zinc/28/64/70/506286470.db2.gz BFGYTZVPTFWKCQ-RBBKRZOGSA-N 2 0 369.553 3.056 20 0 FGADRP CC(C)(CNC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)C[NH+]1CCCC1 ZINC000478495831 502000784 /nfs/dbraw/zinc/00/07/84/502000784.db2.gz VKYLEZCKQCEKLS-UHFFFAOYSA-N 2 0 372.557 3.204 20 0 FGADRP CC(C)c1nc2c([nH]1)C[C@@H](C(=O)NC[C@]1([NH+](C)C)CCC[C@@H](C)C1)CC2 ZINC000475107765 502062918 /nfs/dbraw/zinc/06/29/18/502062918.db2.gz GVDAQRWDBZTFIH-XFQAVAEZSA-N 2 0 360.546 3.265 20 0 FGADRP CC[C@@H]([NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1)c1ccc(C)cc1 ZINC000482435923 502066435 /nfs/dbraw/zinc/06/64/35/502066435.db2.gz HOZRGJVLULAMGO-OAQYLSRUSA-N 2 0 367.541 3.428 20 0 FGADRP COc1ccc2oc([C@H](C)[NH2+]C[C@@H](C)CN3CC[NH+](C)CC3)c(C)c2c1 ZINC000482437370 502067590 /nfs/dbraw/zinc/06/75/90/502067590.db2.gz JUJLMRLAJRVERK-WBVHZDCISA-N 2 0 359.514 3.284 20 0 FGADRP CC(C)[NH+]1CCC([NH2+][C@@H](C)CCCCN2C(=O)c3ccccc3C2=O)CC1 ZINC000471584554 502074147 /nfs/dbraw/zinc/07/41/47/502074147.db2.gz HNZDXAMBNQANPR-KRWDZBQOSA-N 2 0 371.525 3.304 20 0 FGADRP Cc1cccc([C@H](C)[NH2+]CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)c1C ZINC000475157683 502085600 /nfs/dbraw/zinc/08/56/00/502085600.db2.gz PMCAIERRGAYBSV-GHTZIAJQSA-N 2 0 353.510 3.373 20 0 FGADRP CCN(C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475163171 502087557 /nfs/dbraw/zinc/08/75/57/502087557.db2.gz FWVDKWUCRSLSSJ-ICSRJNTNSA-N 2 0 374.573 3.269 20 0 FGADRP CCC[N@@H+]1CCC[C@H]1CNC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000478808231 502092894 /nfs/dbraw/zinc/09/28/94/502092894.db2.gz UUDHHBRSQUPTNT-NRFANRHFSA-N 2 0 372.557 3.133 20 0 FGADRP CC[C@]1(C)CCC[N@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000464781465 502093731 /nfs/dbraw/zinc/09/37/31/502093731.db2.gz VKRZGFURSCTXBS-JOCHJYFZSA-N 2 0 357.542 3.411 20 0 FGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCc2ccc(OC)c(F)c2)[C@H](C)C1 ZINC000482531798 502102741 /nfs/dbraw/zinc/10/27/41/502102741.db2.gz JOYXJOAPJGPURF-VQIMIIECSA-N 2 0 352.494 3.103 20 0 FGADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000486265186 502104822 /nfs/dbraw/zinc/10/48/22/502104822.db2.gz GCGIFQABBHVMDU-DENIHFKCSA-N 2 0 371.569 3.035 20 0 FGADRP CC[NH+](CC)[C@@H](C(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1)c1ccccc1 ZINC000461436967 502113335 /nfs/dbraw/zinc/11/33/35/502113335.db2.gz FMRATRFEZGEEQU-PZJWPPBQSA-N 2 0 357.542 3.404 20 0 FGADRP CC[NH+]1CCC(NC(=O)C[N@H+](C)[C@@H]2CCC[C@@H]2c2ccc(C)cc2)CC1 ZINC000464881101 502136771 /nfs/dbraw/zinc/13/67/71/502136771.db2.gz QTZRLDIFUTURTN-NHCUHLMSSA-N 2 0 357.542 3.163 20 0 FGADRP [NH3+]C[C@H](Cc1ccccc1)[C@@H]1CCCCN1CC(=O)Nc1ccccc1 ZINC000471832153 502147552 /nfs/dbraw/zinc/14/75/52/502147552.db2.gz JUAJOGVVWAXZJD-FPOVZHCZSA-N 2 0 351.494 3.297 20 0 FGADRP COC[C@H]1CCCC[N@H+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)C1 ZINC000468693841 502149086 /nfs/dbraw/zinc/14/90/86/502149086.db2.gz LNPYJXDSUMVNQH-IBGZPJMESA-N 2 0 359.558 3.466 20 0 FGADRP C[C@H](c1nnc(SC[C@H](C)[NH+](C)C)n1-c1ccc(F)cc1)N(C)C ZINC000479201317 502191942 /nfs/dbraw/zinc/19/19/42/502191942.db2.gz DIKROYLTSCNTNW-QWHCGFSZSA-N 2 0 351.495 3.071 20 0 FGADRP NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+][C@@H](CC2CC2)c2ccc(Cl)cc2)C1 ZINC000468828688 502197772 /nfs/dbraw/zinc/19/77/72/502197772.db2.gz FCFMZGSBMSIKHC-MJGOQNOKSA-N 2 0 363.933 3.358 20 0 FGADRP CC[NH+](CC)[C@H](C)CNC(=O)N[C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000472040021 502207584 /nfs/dbraw/zinc/20/75/84/502207584.db2.gz YCWCSMJSGXYBCZ-HDAAZOAOSA-N 2 0 374.573 3.173 20 0 FGADRP CC(C)(CNC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1)C[NH+]1CCCC1 ZINC000482966916 502230814 /nfs/dbraw/zinc/23/08/14/502230814.db2.gz WTSFKLNNEQZTGH-FQEVSTJZSA-N 2 0 357.542 3.137 20 0 FGADRP CC[C@H](C)[NH2+][C@H](CNC(=O)NC[C@@H](C)[N@@H+]1CCC[C@H](C)C1)c1ccco1 ZINC000479353432 502233307 /nfs/dbraw/zinc/23/33/07/502233307.db2.gz TZTVYCXLMVHTGC-WNRNVDISSA-N 2 0 364.534 3.128 20 0 FGADRP CCN(CCC[NH+]1CCCC1)C(=O)NCCCC[N@@H+]1CCC[C@H](C)C1 ZINC000472116366 502237656 /nfs/dbraw/zinc/23/76/56/502237656.db2.gz XHHMJTFQDQLHPC-IBGZPJMESA-N 2 0 352.567 3.016 20 0 FGADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H](C)c1cc(S(N)(=O)=O)c(C)cc1C ZINC000479367591 502237893 /nfs/dbraw/zinc/23/78/93/502237893.db2.gz WWFSIVBJAHANTQ-IRXDYDNUSA-N 2 0 369.575 3.112 20 0 FGADRP C[C@H](CCCCN1C(=O)c2ccccc2C1=O)[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000472129378 502242856 /nfs/dbraw/zinc/24/28/56/502242856.db2.gz BCTCQVRABMIQLJ-KZNAEPCWSA-N 2 0 369.509 3.058 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H](NC[C@H]2CC[NH+](Cc3ccccc3)C2)[C@H](C)C1 ZINC000479468599 502268706 /nfs/dbraw/zinc/26/87/06/502268706.db2.gz YREZBCKAFRYYQI-MZYLBHOOSA-N 2 0 373.585 3.235 20 0 FGADRP CC(C)[N@@H+](C)C[C@H](C)NC(=O)N1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000462004215 502270394 /nfs/dbraw/zinc/27/03/94/502270394.db2.gz QBAVOTFOAOOQEH-FHWLQOOXSA-N 2 0 352.567 3.011 20 0 FGADRP CCN(C(=O)N[C@@H](C)C[NH+](C)C(C)C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000462010896 502273268 /nfs/dbraw/zinc/27/32/68/502273268.db2.gz MSHNWHXSTQVOTM-AZUAARDMSA-N 2 0 360.546 3.021 20 0 FGADRP C[NH+](C)CCN(C(=O)c1ccc(Nc2cc[nH+]cc2)cc1)c1ccccc1 ZINC000469041952 502275485 /nfs/dbraw/zinc/27/54/85/502275485.db2.gz QAMJYRYKRFFDNE-UHFFFAOYSA-N 2 0 360.461 3.456 20 0 FGADRP C[N@H+](CC1CC1)C[C@@H]1CCN([C@@H]2CCN(c3ccc(Cl)cc3)C2=O)C1 ZINC000472230594 502278163 /nfs/dbraw/zinc/27/81/63/502278163.db2.gz GQSBFJVLEIDADJ-QFBILLFUSA-N 2 0 361.917 3.109 20 0 FGADRP O=C(NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC000483147794 502290645 /nfs/dbraw/zinc/29/06/45/502290645.db2.gz CMCVUEGDBJTRQL-UNMCSNQZSA-N 2 0 369.553 3.422 20 0 FGADRP Cc1cc2[nH]c(C[NH2+]Cc3ccc(N4CC[NH+](C)CC4)nc3)cc2c(C)c1 ZINC000479539199 502290865 /nfs/dbraw/zinc/29/08/65/502290865.db2.gz GCGZIBHQDDBMHT-UHFFFAOYSA-N 2 0 363.509 3.221 20 0 FGADRP C[NH+](C)[C@H](CNC(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1)C1CCCCC1 ZINC000465540490 502298327 /nfs/dbraw/zinc/29/83/27/502298327.db2.gz LFKBTUYVGODXJK-VQTJNVASSA-N 2 0 364.578 3.061 20 0 FGADRP CC1CC[NH+](CCNC(=O)N2CC[C@H](C)[N@H+](Cc3ccccc3)CC2)CC1 ZINC000465544576 502300249 /nfs/dbraw/zinc/30/02/49/502300249.db2.gz MSGXGXLAJNRBSD-FQEVSTJZSA-N 2 0 372.557 3.024 20 0 FGADRP CC1CC[NH+](Cc2ccccc2CNC(=O)N[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000465575864 502312401 /nfs/dbraw/zinc/31/24/01/502312401.db2.gz QXRRYPNKXUZCFB-RXVVDRJESA-N 2 0 372.557 3.200 20 0 FGADRP C[C@@H]1C[N@@H+](Cc2ccccc2C[NH2+]C/C=C\c2ccncc2)C[C@H](C)O1 ZINC000486960156 502316697 /nfs/dbraw/zinc/31/66/97/502316697.db2.gz AYFWFTJJHQCDGA-WOQGQJNTSA-N 2 0 351.494 3.494 20 0 FGADRP C[C@H](NC(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1)[C@H](c1ccccc1)[NH+](C)C ZINC000479680747 502342063 /nfs/dbraw/zinc/34/20/63/502342063.db2.gz YFTUEAOXZSBUIC-SVFBPWRDSA-N 2 0 374.573 3.489 20 0 FGADRP NC(=O)[C@H]1CCC[N@H+](Cc2cccc(C[NH2+]CCC3CCCCC3)c2)C1 ZINC000483313767 502348368 /nfs/dbraw/zinc/34/83/68/502348368.db2.gz XXFUEIBMERQFPK-NRFANRHFSA-N 2 0 357.542 3.444 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCc1ccc(C(C)C)cc1 ZINC000465735951 502364475 /nfs/dbraw/zinc/36/44/75/502364475.db2.gz BXYQLILTSRLNSW-NRFANRHFSA-N 2 0 374.573 3.368 20 0 FGADRP CC(C)[C@@H](C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1)[NH+](C)C ZINC000483567414 502434434 /nfs/dbraw/zinc/43/44/34/502434434.db2.gz JIGPKKFTJBXAHI-HKBOAZHASA-N 2 0 357.542 3.086 20 0 FGADRP C[C@@H]([NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1)c1cccc(NS(C)(=O)=O)c1 ZINC000480035983 502453232 /nfs/dbraw/zinc/45/32/32/502453232.db2.gz GOWCITUJBRCHHU-CYBMUJFWSA-N 2 0 353.532 3.018 20 0 FGADRP Cc1cccc2c(NCc3cccnc3N3CC[NH+](C)CC3)c(C)c[nH+]c12 ZINC000462485311 502459799 /nfs/dbraw/zinc/45/97/99/502459799.db2.gz MPIGTAMACABVTE-UHFFFAOYSA-N 2 0 361.493 3.032 20 0 FGADRP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N1CCC(CC[NH+]2CCCC[C@@H]2C)CC1 ZINC000462524699 502474538 /nfs/dbraw/zinc/47/45/38/502474538.db2.gz ADWDSVFBLNHGRT-MOPGFXCFSA-N 2 0 366.594 3.401 20 0 FGADRP C[C@@H]1CN(C(=O)NCC2([NH+](C)C)CCCCCC2)CC[N@@H+](C2CCC2)C1 ZINC000487547284 502475802 /nfs/dbraw/zinc/47/58/02/502475802.db2.gz FYVLHILQOJVNAG-SFHVURJKSA-N 2 0 364.578 3.157 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NCC[C@@H](C)[NH+](C)Cc2ccccc2)C[C@H]1C ZINC000483786044 502492354 /nfs/dbraw/zinc/49/23/54/502492354.db2.gz SWXDJBCOYWKQES-SBHAEUEKSA-N 2 0 374.573 3.411 20 0 FGADRP C[C@@H]1C[N@@H+](CC2CC[NH+](CCO[C@@H]3CCCC[C@H]3C)CC2)C[C@H](C)O1 ZINC000588709832 506317172 /nfs/dbraw/zinc/31/71/72/506317172.db2.gz DTULDVXGASFGTN-WERVVEIQSA-N 2 0 352.563 3.403 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(Nc3cc[nH+]cc3)cc2)[C@@H](C)C1 ZINC000469729038 502519444 /nfs/dbraw/zinc/51/94/44/502519444.db2.gz NSNLICIGRGKDLU-JXFKEZNVSA-N 2 0 352.482 3.049 20 0 FGADRP C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]CCOCC(F)(F)C(F)F ZINC000469765933 502537958 /nfs/dbraw/zinc/53/79/58/502537958.db2.gz AETTYZOHUDQRBX-ZBFHGGJFSA-N 2 0 362.411 3.404 20 0 FGADRP CCC[N@H+](CC)C[C@@H](C)NC(=O)N(C)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000462721431 502549171 /nfs/dbraw/zinc/54/91/71/502549171.db2.gz MAAUSQNHELFOOY-UYAOXDASSA-N 2 0 360.546 3.023 20 0 FGADRP CCC[C@H]([NH2+]C(C)C)C(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000473298281 502562452 /nfs/dbraw/zinc/56/24/52/502562452.db2.gz DEOZSDCAEBAZRA-AEFFLSMTSA-N 2 0 351.560 3.243 20 0 FGADRP Cc1cc2cc(C[N@@H+]3CCC[C@@H](CNC(=O)[C@@H]4CCC[NH2+]4)C3)oc2cc1C ZINC000469857795 502570369 /nfs/dbraw/zinc/57/03/69/502570369.db2.gz XRXZFHNYKWVTPJ-PXNSSMCTSA-N 2 0 369.509 3.130 20 0 FGADRP C[NH+]1CCN(Cc2ccc(C[NH2+][C@@H]3CCC[C@H]([C@H]4CCOC4)C3)cc2)CC1 ZINC000462785226 502571031 /nfs/dbraw/zinc/57/10/31/502571031.db2.gz KPZOGEUIMKWSFT-RJGXRXQPSA-N 2 0 371.569 3.119 20 0 FGADRP O[C@@]1(CN[C@H]2CCCOc3ccc(F)cc32)CC[N@H+](Cc2ccccc2)C1 ZINC000484161113 502589363 /nfs/dbraw/zinc/58/93/63/502589363.db2.gz MOWJMUNTJYNWPC-RBBKRZOGSA-N 2 0 370.468 3.266 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H]2C[C@@H](C)[NH+](Cc3ccccc3)C2)C[C@H]1C ZINC000466523813 502596535 /nfs/dbraw/zinc/59/65/35/502596535.db2.gz AYRCELGLBLXDLV-UKAVVXHISA-N 2 0 372.557 3.164 20 0 FGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000473510105 502616252 /nfs/dbraw/zinc/61/62/52/502616252.db2.gz VFPWNFUNSBOAJW-GGAORHGYSA-N 2 0 369.553 3.376 20 0 FGADRP C[C@@H]1C[NH+](CCC2CC[NH+](Cc3cccc4c3NCC4)CC2)C[C@@H](C)O1 ZINC000469985465 502617816 /nfs/dbraw/zinc/61/78/16/502617816.db2.gz YCLRVZYMROXUKB-QZTJIDSGSA-N 2 0 357.542 3.366 20 0 FGADRP C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000476992051 502645339 /nfs/dbraw/zinc/64/53/39/502645339.db2.gz QWKOAHKCICCUPK-WIYYLYMNSA-N 2 0 370.541 3.051 20 0 FGADRP CCCN(CC[NH+]1CCCC1)C(=O)N[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000484646312 502694027 /nfs/dbraw/zinc/69/40/27/502694027.db2.gz UNXBXRNIEMERII-CTNGQTDRSA-N 2 0 372.557 3.339 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@H](c2ccc(F)cc2)N(C)C)[C@@H](C)C1 ZINC000480896503 502699532 /nfs/dbraw/zinc/69/95/32/502699532.db2.gz CYUJDSSJLIZFJJ-DZFGPLHGSA-N 2 0 365.537 3.155 20 0 FGADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000477217016 502709651 /nfs/dbraw/zinc/70/96/51/502709651.db2.gz CFGZJGYJOHDSJG-VQTJNVASSA-N 2 0 364.578 3.014 20 0 FGADRP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N1CC[NH+](C2CCC2)CC1 ZINC000470277230 502722662 /nfs/dbraw/zinc/72/26/62/502722662.db2.gz KNWZPTRITIAPQG-NRFANRHFSA-N 2 0 372.557 3.023 20 0 FGADRP C[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)[NH+]1CCCCCC1 ZINC000488478267 502725625 /nfs/dbraw/zinc/72/56/25/502725625.db2.gz BMYXMWSCGCJODI-SBHAEUEKSA-N 2 0 357.542 3.278 20 0 FGADRP CCN(C(=O)NCC[NH+](CC)CC)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000473884245 502737208 /nfs/dbraw/zinc/73/72/08/502737208.db2.gz HLSPCGOTISQTSB-QUCCMNQESA-N 2 0 360.546 3.195 20 0 FGADRP CC1CC[NH+](Cc2ccc(CNC(=O)c3ccc4c(c3)C[NH2+]C4)cc2)CC1 ZINC000470365306 502750551 /nfs/dbraw/zinc/75/05/51/502750551.db2.gz YHYLHBKYMXSBNA-UHFFFAOYSA-N 2 0 363.505 3.452 20 0 FGADRP CC[N@@H+]1C[C@H](C)N(C(=O)N[C@H](C)[C@@H]2CC[NH+](Cc3ccccc3)C2)C[C@H]1C ZINC000488558967 502751047 /nfs/dbraw/zinc/75/10/47/502751047.db2.gz MYPUKZPMZAWSLN-RCLSDMTESA-N 2 0 372.557 3.021 20 0 FGADRP CC[NH+](CC)CC1CC[NH+]([C@H]2CCCN(c3ccccc3F)C2=O)CC1 ZINC000488589204 502759664 /nfs/dbraw/zinc/75/96/64/502759664.db2.gz XZGMNFJTPAQPLJ-FQEVSTJZSA-N 2 0 361.505 3.375 20 0 FGADRP C[C@@H]1CCC[C@H]([NH2+]CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)[C@H]1C ZINC000481185795 502777613 /nfs/dbraw/zinc/77/76/13/502777613.db2.gz XFUJTAWTYGZBAU-LQWHRVPQSA-N 2 0 357.542 3.313 20 0 FGADRP C[C@H]([NH3+])[C@@H]1CC[N@H+](CCC(=O)Nc2ccccc2Oc2ccccc2)C1 ZINC000484932125 502781324 /nfs/dbraw/zinc/78/13/24/502781324.db2.gz CXQAUEKCXVRZQF-DLBZAZTESA-N 2 0 353.466 3.477 20 0 FGADRP C[C@H]([NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1)C1CCC(F)(F)CC1 ZINC000474025813 502782142 /nfs/dbraw/zinc/78/21/42/502782142.db2.gz XHDIAQWSZFTZJX-KRWDZBQOSA-N 2 0 366.500 3.397 20 0 FGADRP C[C@H]([NH3+])[C@@H]1CCN(CC(=O)Nc2ccccc2Sc2ccccc2)C1 ZINC000484946872 502784581 /nfs/dbraw/zinc/78/45/81/502784581.db2.gz NTYRQFOMICADGU-JKSUJKDBSA-N 2 0 355.507 3.445 20 0 FGADRP CC(C)[NH+](CCCNC(=O)NC[C@@]1([NH+](C)C)CCC[C@@H](C)C1)C(C)C ZINC000470491362 502794523 /nfs/dbraw/zinc/79/45/23/502794523.db2.gz ZWQLFMKWKBWZJQ-UYAOXDASSA-N 2 0 354.583 3.305 20 0 FGADRP CCN(C(=O)CC[C@H]1CCCC[NH+]1C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000504909987 502822703 /nfs/dbraw/zinc/82/27/03/502822703.db2.gz VLTMFIVHERCXMT-NHCUHLMSSA-N 2 0 357.542 3.374 20 0 FGADRP C[C@]1(C(=O)Nc2nc3c(s2)CN(Cc2ccccc2)CC3)CCC[NH2+]C1 ZINC000495499510 502847908 /nfs/dbraw/zinc/84/79/08/502847908.db2.gz JLFGZRCRWUQLKW-FQEVSTJZSA-N 2 0 370.522 3.030 20 0 FGADRP CCC[N@H+](CC)Cc1ccc(C(=O)N2C[C@@H](SC)[C@H]([NH+](C)C)C2)cc1 ZINC000495696491 502858268 /nfs/dbraw/zinc/85/82/68/502858268.db2.gz LOLVUNWWEKWYDI-RTBURBONSA-N 2 0 363.571 3.036 20 0 FGADRP O=C([C@H]1CCC[N@@H+]1C1CCCC1)N1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000505157557 502860147 /nfs/dbraw/zinc/86/01/47/502860147.db2.gz WZUFEFSUGSDDFB-FXAWDEMLSA-N 2 0 370.541 3.332 20 0 FGADRP C[NH+](C)CCCC1CCN(C(=O)NC[C@H](C2CCCCC2)[NH+](C)C)CC1 ZINC000500812815 502869083 /nfs/dbraw/zinc/86/90/83/502869083.db2.gz MAGYNFLJTWKHQG-HXUWFJFHSA-N 2 0 366.594 3.260 20 0 FGADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000500859611 502879857 /nfs/dbraw/zinc/87/98/57/502879857.db2.gz BCEJPPICCSLSHU-LEWJYISDSA-N 2 0 372.557 3.215 20 0 FGADRP CN(C(=O)c1sccc1F)[C@@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000489148590 502888195 /nfs/dbraw/zinc/88/81/95/502888195.db2.gz PQGGAYQOFWLISQ-IAGOWNOFSA-N 2 0 367.534 3.296 20 0 FGADRP Cc1cc(NCCCC[NH+]2C[C@@H](C)C[C@H](C)C2)nc(-c2ccncc2)n1 ZINC000489203537 502900629 /nfs/dbraw/zinc/90/06/29/502900629.db2.gz GGJGFAYCADZSOG-IRXDYDNUSA-N 2 0 353.514 3.439 20 0 FGADRP CO[C@@H](c1ccccc1Cl)[C@@H](C)[NH2+]CCCN1CC[NH+](C(C)C)CC1 ZINC000500991931 502907488 /nfs/dbraw/zinc/90/74/88/502907488.db2.gz XFWXRYOFSAFFLJ-YLJYHZDGSA-N 2 0 367.965 3.422 20 0 FGADRP C[C@@H]1CCC[C@H](NC(=O)C[N@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)[C@H]1C ZINC000501025161 502914701 /nfs/dbraw/zinc/91/47/01/502914701.db2.gz YXOHGWOVJASNQB-LQWHRVPQSA-N 2 0 372.557 3.171 20 0 FGADRP CC[C@@H]1CCCCN1C(=O)C[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501037230 502918624 /nfs/dbraw/zinc/91/86/24/502918624.db2.gz GIUKZSMXCYMVCH-LJQANCHMSA-N 2 0 358.530 3.021 20 0 FGADRP Cc1ccc(NC(=O)C[N@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)cc1C ZINC000501068048 502927363 /nfs/dbraw/zinc/92/73/63/502927363.db2.gz KSAIYVFUFUPCQS-UHFFFAOYSA-N 2 0 366.509 3.485 20 0 FGADRP C[C@@H]1CC[N@H+](CCOc2ccc(NC(=O)[C@H]([NH3+])c3ccccc3)cc2)C1 ZINC000497298231 502930767 /nfs/dbraw/zinc/93/07/67/502930767.db2.gz XYUNVEYDKXHZFY-OXQOHEQNSA-N 2 0 353.466 3.046 20 0 FGADRP Cc1ccc(NC(=O)C[N@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)c(F)c1 ZINC000501082009 502931606 /nfs/dbraw/zinc/93/16/06/502931606.db2.gz QJPHUIUOVFBIQP-UHFFFAOYSA-N 2 0 370.472 3.316 20 0 FGADRP CCc1ccc(NC(=O)N(CC[NH+](C)C)C[C@H]2CCC[N@H+]2CC)cc1F ZINC000501244689 502965990 /nfs/dbraw/zinc/96/59/90/502965990.db2.gz KQSUBUJTJOIQLJ-GOSISDBHSA-N 2 0 364.509 3.268 20 0 FGADRP C[C@H](C[NH+]1CCCCC1)NC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000489491887 502971476 /nfs/dbraw/zinc/97/14/76/502971476.db2.gz FOQNXONCUOSHIS-SBHAEUEKSA-N 2 0 372.557 3.071 20 0 FGADRP CC(C)N1CC[C@H](NC(=O)[C@H]([NH3+])c2ccccc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000497499548 502972893 /nfs/dbraw/zinc/97/28/93/502972893.db2.gz YNYNQJCKKLOXNR-ZCNNSNEGSA-N 2 0 373.447 3.305 20 0 FGADRP CC[NH+](CC)[C@@H]1CCN(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000489532283 502980822 /nfs/dbraw/zinc/98/08/22/502980822.db2.gz IEVONIFBOAGYCO-TYPHKJRUSA-N 2 0 372.557 3.023 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1CCCNC(=O)NC[C@H](C1CCCCC1)[NH+](C)C ZINC000501350938 502990005 /nfs/dbraw/zinc/99/00/05/502990005.db2.gz YKQMOZJDSSINOS-IEBWSBKVSA-N 2 0 352.567 3.061 20 0 FGADRP C[C@H](CN1CCCC1=O)[NH2+][C@@H]1CCCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000513683004 503000182 /nfs/dbraw/zinc/00/01/82/503000182.db2.gz DYLNNOUGCSHLKC-ZHHKINOHSA-N 2 0 369.553 3.278 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)NC[C@H](C1CCCCC1)[NH+](C)C ZINC000501395471 503000758 /nfs/dbraw/zinc/00/07/58/503000758.db2.gz BEDCJALWUFPQDP-UYAOXDASSA-N 2 0 366.594 3.451 20 0 FGADRP C[N@@H+]1CC[C@H]([NH2+]CCOc2ccc(Br)cc2)[C@@H]2CCC[C@@H]21 ZINC000513690591 503001844 /nfs/dbraw/zinc/00/18/44/503001844.db2.gz KVSJRXCOWJONAZ-ULQDDVLXSA-N 2 0 353.304 3.290 20 0 FGADRP CC1CC[NH+](CCCCNC(=O)NC[C@H](C2CCCCC2)[NH+](C)C)CC1 ZINC000501400880 503002548 /nfs/dbraw/zinc/00/25/48/503002548.db2.gz RGFWJLFOASAHHB-HXUWFJFHSA-N 2 0 366.594 3.308 20 0 FGADRP Cn1cc(C(F)(F)F)nc1[C@@H]1CCC[N@H+](CC[C@H]2CCCC[NH+]2C)C1 ZINC000489684237 503010953 /nfs/dbraw/zinc/01/09/53/503010953.db2.gz MCWGESPGGYWMOG-HUUCEWRRSA-N 2 0 358.452 3.493 20 0 FGADRP C[C@H](CNC(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+]1CCC[C@H](C)C1 ZINC000501492569 503019989 /nfs/dbraw/zinc/01/99/89/503019989.db2.gz VPEAPUZRBFCNFR-RBUKOAKNSA-N 2 0 372.557 3.071 20 0 FGADRP C[C@H](CNC(=O)NCC1([NH+](C)C)CCCCCC1)[N@@H+]1CCC[C@H](C)C1 ZINC000501518350 503027440 /nfs/dbraw/zinc/02/74/40/503027440.db2.gz SAESUNJCNWCAQK-ZWKOTPCHSA-N 2 0 352.567 3.061 20 0 FGADRP C[C@H](CNC(=O)NCc1ccccc1C[NH+]1CCCC1)[N@@H+]1CCCC[C@H]1C ZINC000501522097 503028832 /nfs/dbraw/zinc/02/88/32/503028832.db2.gz OVMUAIFOAIDAOL-RTBURBONSA-N 2 0 372.557 3.345 20 0 FGADRP COc1ccc(Cl)cc1C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000513818846 503029493 /nfs/dbraw/zinc/02/94/93/503029493.db2.gz LBJHVYCNMWZYQJ-UHFFFAOYSA-N 2 0 352.906 3.283 20 0 FGADRP Fc1ccc(OCC[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)cc1 ZINC000506023435 503030289 /nfs/dbraw/zinc/03/02/89/503030289.db2.gz XSRLASDNQJHTBX-UHFFFAOYSA-N 2 0 350.478 3.029 20 0 FGADRP CC[NH+](CC)Cc1ccccc1CNC(=O)NCC[N@@H+]1CCCC[C@@H]1C ZINC000501546279 503035036 /nfs/dbraw/zinc/03/50/36/503035036.db2.gz NBENNHYAALMOGI-SFHVURJKSA-N 2 0 360.546 3.202 20 0 FGADRP Cn1c2ccc(C[NH2+]CC3CC[NH+](Cc4ccccc4)CC3)cc2oc1=O ZINC000510158680 503060943 /nfs/dbraw/zinc/06/09/43/503060943.db2.gz ILKWWAXVPKAQHW-UHFFFAOYSA-N 2 0 365.477 3.133 20 0 FGADRP O=C(NCCC[NH+]1CCCC1)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000514012069 503068008 /nfs/dbraw/zinc/06/80/08/503068008.db2.gz XGYLDWUHIUHNAY-UHFFFAOYSA-N 2 0 372.557 3.348 20 0 FGADRP [NH3+]CC[C@@H]1CCCCN1Cc1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC000489943517 503072437 /nfs/dbraw/zinc/07/24/37/503072437.db2.gz SZKSOVITBXXARG-AWEZNQCLSA-N 2 0 354.376 3.459 20 0 FGADRP C[NH+](C)CCCC1CC[NH+]([C@H]2CCCN(c3cccc(F)c3)C2=O)CC1 ZINC000501768578 503075851 /nfs/dbraw/zinc/07/58/51/503075851.db2.gz CDDIUCXCJUHTDH-FQEVSTJZSA-N 2 0 361.505 3.375 20 0 FGADRP Cc1ccc([C@H](CNC(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)[NH+]2CCCC2)cc1 ZINC000514053812 503076147 /nfs/dbraw/zinc/07/61/47/503076147.db2.gz BEFDBDNEAQWWSX-HKBOAZHASA-N 2 0 370.541 3.058 20 0 FGADRP CCN(C)[C@H](C(=O)NC[C@@H](C)[N@@H+]1CCc2ccccc2C1)c1ccccc1 ZINC000489979044 503080465 /nfs/dbraw/zinc/08/04/65/503080465.db2.gz GPSGTEMBCCDBBM-GCJKJVERSA-N 2 0 365.521 3.242 20 0 FGADRP Cc1ccc(-n2ccnc2)c(C(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)c1 ZINC000510380218 503102735 /nfs/dbraw/zinc/10/27/35/503102735.db2.gz VBDCSPRKQGBQBU-HXUWFJFHSA-N 2 0 366.440 3.353 20 0 FGADRP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000514222111 503116551 /nfs/dbraw/zinc/11/65/51/503116551.db2.gz MFXKUXWRZUVGEZ-UIBIWLFHSA-N 2 0 366.575 3.016 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)NC[C@H](C)[N@@H+]1CCC[C@H](C)C1)c1ccco1 ZINC000514225772 503117583 /nfs/dbraw/zinc/11/75/83/503117583.db2.gz PKDSGGAYYRXHRM-OKZBNKHCSA-N 2 0 364.534 3.082 20 0 FGADRP CC(C)[C@@H](CNC(=O)NCC1([NH+](C)C)CCCC1)[NH+]1CCCCCC1 ZINC000514565407 503137581 /nfs/dbraw/zinc/13/75/81/503137581.db2.gz RGUFJNXINLDYJG-GOSISDBHSA-N 2 0 352.567 3.061 20 0 FGADRP Cc1ccccc1[C@H]([C@H](C)NC(=O)c1ccc(C[NH+](C)C)cc1)[NH+](C)C ZINC000510538945 503138398 /nfs/dbraw/zinc/13/83/98/503138398.db2.gz LRIOKLUAPWGQSW-UWJYYQICSA-N 2 0 353.510 3.478 20 0 FGADRP CC[N@@H+]1C[C@H](C)N(C(=O)N[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)C[C@@H]1C ZINC000498254656 503143213 /nfs/dbraw/zinc/14/32/13/503143213.db2.gz VYQWRKGTMYPQFK-XODKDNOYSA-N 2 0 372.557 3.164 20 0 FGADRP Cc1cccc([C@@H]([NH2+]CCCN2CC[NH+](C)CC2)c2cccc(F)c2)c1 ZINC000510670324 503169135 /nfs/dbraw/zinc/16/91/35/503169135.db2.gz NAFOBUZPWSCORH-JOCHJYFZSA-N 2 0 355.501 3.451 20 0 FGADRP CCCC[N@H+](C)CCNC(=O)N1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000506812333 503177164 /nfs/dbraw/zinc/17/71/64/503177164.db2.gz CIAXKBRZQFXYSV-MOPGFXCFSA-N 2 0 352.567 3.014 20 0 FGADRP C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)[C@@H]2C[C@]23CC[NH2+]C3)cc1 ZINC000514725025 503177542 /nfs/dbraw/zinc/17/75/42/503177542.db2.gz LKMOHDPMQWCSBA-GMAHTHKFSA-N 2 0 363.505 3.031 20 0 FGADRP C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)[C@H]2C[C@@]23CC[NH2+]C3)cc1 ZINC000514725021 503177553 /nfs/dbraw/zinc/17/75/53/503177553.db2.gz LKMOHDPMQWCSBA-FYYLOGMGSA-N 2 0 363.505 3.031 20 0 FGADRP CC[NH+]1CCC(CCNC(=O)N[C@H](C)[C@@H](c2ccccc2C)[NH+](C)C)CC1 ZINC000498412665 503181896 /nfs/dbraw/zinc/18/18/96/503181896.db2.gz IDNNNQYDXBWFBH-NQIIRXRSSA-N 2 0 374.573 3.407 20 0 FGADRP C[C@H](C(=O)NCC(C)(C)[N@@H+]1CCc2ccccc2C1)[NH+]1[C@H](C)CC[C@H]1C ZINC000510778979 503190974 /nfs/dbraw/zinc/19/09/74/503190974.db2.gz BOTQZJJZZVZWFW-KZNAEPCWSA-N 2 0 357.542 3.201 20 0 FGADRP COc1ccc(Br)c(C[NH2+]CC2(SC)CC[NH+](C)CC2)c1 ZINC000514819302 503200498 /nfs/dbraw/zinc/20/04/98/503200498.db2.gz CQBYHHMHUBDIPL-UHFFFAOYSA-N 2 0 373.360 3.375 20 0 FGADRP CC(C)CN(CC[NH+](C)C)C(=O)N[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000498696862 503241748 /nfs/dbraw/zinc/24/17/48/503241748.db2.gz SRTSMMFWQTVMIH-PZJWPPBQSA-N 2 0 374.573 3.126 20 0 FGADRP COCC[C@@H]1CCC[C@H]1[NH2+][C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000502721220 503257888 /nfs/dbraw/zinc/25/78/88/503257888.db2.gz FKTAHFSBSRZVHD-ABSDTBQOSA-N 2 0 363.521 3.433 20 0 FGADRP Cc1cc(C)cc(NC(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000498851419 503275286 /nfs/dbraw/zinc/27/52/86/503275286.db2.gz FFMLRRDEYFVJCO-UHFFFAOYSA-N 2 0 367.497 3.032 20 0 FGADRP CC[C@H](CNC(=O)[C@@H](C)[N@H+]1[C@H](C)CC[C@@H]1C)[NH+]1CCc2ccccc2C1 ZINC000511257308 503288326 /nfs/dbraw/zinc/28/83/26/503288326.db2.gz CYNDUOZPFWHPHQ-BMQTXXJKSA-N 2 0 357.542 3.201 20 0 FGADRP CC[NH+](CC)CCN(Cc1ccccc1)C(=O)N[C@H](C)C1=CC[N@H+](C)CC1 ZINC000511271300 503290949 /nfs/dbraw/zinc/29/09/49/503290949.db2.gz VPJTXZUPCRDANU-LJQANCHMSA-N 2 0 372.557 3.190 20 0 FGADRP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]C[C@@H](O)COc2ccccc2)CC1 ZINC000515205188 503292317 /nfs/dbraw/zinc/29/23/17/503292317.db2.gz JZLGEHIGQRXFIE-SIKLNZKXSA-N 2 0 368.521 3.112 20 0 FGADRP C[NH+](C)CCN(CCCc1ccccc1)C(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000498918994 503293414 /nfs/dbraw/zinc/29/34/14/503293414.db2.gz NFXXDTHGQWAGQS-OAQYLSRUSA-N 2 0 359.558 3.274 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N(CC[NH+](C)C)Cc1ccccc1 ZINC000502874932 503295983 /nfs/dbraw/zinc/29/59/83/503295983.db2.gz BIURTEFYWFXYAF-HXUWFJFHSA-N 2 0 374.573 3.414 20 0 FGADRP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(C[NH2+][C@@H]3CCCC[C@@H]3C3CC3)c2)C1 ZINC000507521987 503314492 /nfs/dbraw/zinc/31/44/92/503314492.db2.gz CKORTKHGYSMHGI-YPAWHYETSA-N 2 0 369.553 3.442 20 0 FGADRP C[C@@H]1C[C@@H](CCNC(=O)NCC[NH+]2CCCCC2)C[N@@H+]1Cc1ccccc1 ZINC000511441902 503323379 /nfs/dbraw/zinc/32/33/79/503323379.db2.gz VMAJHGOKSKTSDQ-TZIWHRDSSA-N 2 0 372.557 3.072 20 0 FGADRP CC[NH+](CC)[C@H](C)CNC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000511512943 503335418 /nfs/dbraw/zinc/33/54/18/503335418.db2.gz NHCVCPPYHWIHGN-QUCCMNQESA-N 2 0 374.573 3.317 20 0 FGADRP CC[NH+](CC)[C@H](C)CNC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000511512944 503335669 /nfs/dbraw/zinc/33/56/69/503335669.db2.gz NHCVCPPYHWIHGN-UYAOXDASSA-N 2 0 374.573 3.317 20 0 FGADRP CC[C@H](C)[C@H]1CN(Cc2ccc(C)nc2)CC[N@@H+]1CC[C@H]1CCC[NH+]1C ZINC000503065142 503339154 /nfs/dbraw/zinc/33/91/54/503339154.db2.gz VAXDCPADSXNUEV-VLCRHTCISA-N 2 0 358.574 3.407 20 0 FGADRP Cc1ccccc1[C@@H]([NH3+])C(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000515485894 503348337 /nfs/dbraw/zinc/34/83/37/503348337.db2.gz CFQCOVJPOUYILL-OAQYLSRUSA-N 2 0 351.494 3.118 20 0 FGADRP Cc1ccccc1[C@H]([C@@H](C)NC(=O)NC[C@@H]1CC[N@@H+](CC(C)C)C1)[NH+](C)C ZINC000499200486 503354125 /nfs/dbraw/zinc/35/41/25/503354125.db2.gz BZGIWVHVSMOXHS-DYXWJJEUSA-N 2 0 374.573 3.263 20 0 FGADRP CN(C(=O)NCC1([NH+](C)C)CCCC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000503157477 503356969 /nfs/dbraw/zinc/35/69/69/503356969.db2.gz OMJSPHODQPXWET-UHFFFAOYSA-N 2 0 372.557 3.167 20 0 FGADRP C[N@H+](CCCNC(=O)[C@H]1CCC[NH+]1Cc1ccccc1)C1CCCCC1 ZINC000511668859 503366973 /nfs/dbraw/zinc/36/69/73/503366973.db2.gz WFTUYRQTWUKTKS-OAQYLSRUSA-N 2 0 357.542 3.422 20 0 FGADRP Cc1ccc([C@@H](CNC(=O)N(C)CC[NH+](C(C)C)C(C)C)[NH+](C)C)cc1 ZINC000503214206 503368418 /nfs/dbraw/zinc/36/84/18/503368418.db2.gz CBOSSUAWJKUWLX-HXUWFJFHSA-N 2 0 362.562 3.358 20 0 FGADRP CC[C@H]1C[C@@H](C[N@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)CCO1 ZINC000507815002 503372084 /nfs/dbraw/zinc/37/20/84/503372084.db2.gz NQNFTAJGMQUNLC-UNMCSNQZSA-N 2 0 365.606 3.320 20 0 FGADRP c1onc(Cc2ccccc2)c1C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000507933649 503399126 /nfs/dbraw/zinc/39/91/26/503399126.db2.gz CREOLKULEWXAGI-UHFFFAOYSA-N 2 0 369.509 3.200 20 0 FGADRP Cn1nccc1-c1ccccc1C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000507936555 503400021 /nfs/dbraw/zinc/40/00/21/503400021.db2.gz KQJFQMZNHSOSRW-UHFFFAOYSA-N 2 0 368.525 3.021 20 0 FGADRP CCC[N@@H+]1CCC[C@H]1CNC(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000511914890 503415084 /nfs/dbraw/zinc/41/50/84/503415084.db2.gz BWDKVSPYFZDARA-NRFANRHFSA-N 2 0 372.557 3.167 20 0 FGADRP OC1CC[NH+](Cc2ccc(C[NH2+][C@@H]3CCc4ccccc4OC3)cc2)CC1 ZINC000493880800 503452714 /nfs/dbraw/zinc/45/27/14/503452714.db2.gz BDSYSJUVSWAZKY-OAQYLSRUSA-N 2 0 366.505 3.127 20 0 FGADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)N[C@H]2CC[NH+](Cc3ccccc3)[C@@H]2C)C1 ZINC000493911314 503456652 /nfs/dbraw/zinc/45/66/52/503456652.db2.gz FWAOXDAMPLQTGL-NRSPTQNISA-N 2 0 372.557 3.069 20 0 FGADRP CCC[NH+]1CCN(c2ccccc2CN2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)CC1 ZINC000516215161 503472171 /nfs/dbraw/zinc/47/21/71/503472171.db2.gz IKKJTMUVXUXKGS-UNMCSNQZSA-N 2 0 370.585 3.277 20 0 FGADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)CN(CC)Cc2ccccc2Cl)C1 ZINC000499852061 503494745 /nfs/dbraw/zinc/49/47/45/503494745.db2.gz ZLDZNTAHWMNYKD-KRWDZBQOSA-N 2 0 365.949 3.352 20 0 FGADRP C[C@@H]([NH3+])[C@H](C)C(=O)N1CCC([N@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000516568765 503539118 /nfs/dbraw/zinc/53/91/18/503539118.db2.gz XXFCVEYFJGIFQR-UONOGXRCSA-N 2 0 371.447 3.112 20 0 FGADRP C[C@@H]([NH2+]CC(C)(C)N1C[C@@H](C)O[C@@H](C)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508702654 503547177 /nfs/dbraw/zinc/54/71/77/503547177.db2.gz WEPCCNRESVAODB-DYQZNNLLSA-N 2 0 373.585 3.374 20 0 FGADRP O=C(NCC1([NH+]2CCCCC2)CCCCC1)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000504316335 503554530 /nfs/dbraw/zinc/55/45/30/503554530.db2.gz HBDCGFOAPTXOAG-RBUKOAKNSA-N 2 0 362.562 3.101 20 0 FGADRP C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000516682419 503568284 /nfs/dbraw/zinc/56/82/84/503568284.db2.gz KJNRIUQTFBNPTB-QRVBRYPASA-N 2 0 364.578 3.013 20 0 FGADRP C[C@@H](NC(=O)NCCC[NH2+]C1CCCCC1)[C@@H](c1ccccc1)[NH+](C)C ZINC000508851447 503577103 /nfs/dbraw/zinc/57/71/03/503577103.db2.gz HHODYFOYFUMZDW-XLIONFOSSA-N 2 0 360.546 3.289 20 0 FGADRP Cc1ccccc1[C@H]([C@@H](C)NC(=O)N1CC[C@@H]([NH+]2CCCCC2)C1)[NH+](C)C ZINC000508869450 503583292 /nfs/dbraw/zinc/58/32/92/503583292.db2.gz ICXBZRJUQHILGW-SBHAEUEKSA-N 2 0 372.557 3.256 20 0 FGADRP CCC[NH+]1CCC(NC(=O)N2C[C@H](C)[N@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000500250541 503588870 /nfs/dbraw/zinc/58/88/70/503588870.db2.gz OQKHHPLSLNIGDX-OALUTQOASA-N 2 0 372.557 3.165 20 0 FGADRP Cc1ccccc1[C@H]([C@H](C)NC(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1)[NH+](C)C ZINC000508895916 503591983 /nfs/dbraw/zinc/59/19/83/503591983.db2.gz MAZKXRWLLDXFJE-RMJJICAUSA-N 2 0 360.546 3.110 20 0 FGADRP C[C@H](NC(=O)N1CCC(CCC[NH+](C)C)CC1)[C@@H](c1ccccc1)[NH+](C)C ZINC000508901423 503594806 /nfs/dbraw/zinc/59/48/06/503594806.db2.gz YQNARIJNNGBPDG-RXVVDRJESA-N 2 0 374.573 3.441 20 0 FGADRP Cc1ccccc1[C@H]([C@H](C)NC(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21)[NH+](C)C ZINC000508902342 503595557 /nfs/dbraw/zinc/59/55/57/503595557.db2.gz WFXJRBMWYWGSDS-YHELAOLJSA-N 2 0 372.557 3.112 20 0 FGADRP c1nnc(C2CC2)n1CC[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000512670801 503608859 /nfs/dbraw/zinc/60/88/59/503608859.db2.gz BHWDUBYMJNSLDZ-PWRODBHTSA-N 2 0 365.525 3.046 20 0 FGADRP CCC[N@H+](CC)C[C@H](C)NC(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000516900018 503612429 /nfs/dbraw/zinc/61/24/29/503612429.db2.gz SPHNZNIXRGFDPX-SFHVURJKSA-N 2 0 360.546 3.202 20 0 FGADRP CC[N@H+](CCCN1CCN(c2ccccc2)CC1)CCc1nccs1 ZINC000509007394 503617586 /nfs/dbraw/zinc/61/75/86/503617586.db2.gz GXHDTQUMPIOEFF-UHFFFAOYSA-N 2 0 358.555 3.220 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@H](C)[C@@H]2CCC[NH+](C3CCC3)C2)C[C@H]1C ZINC000512713181 503619099 /nfs/dbraw/zinc/61/90/99/503619099.db2.gz XOWBBCMTOVVZNU-MLYOOKFZSA-N 2 0 364.578 3.154 20 0 FGADRP CCOC(=O)c1nc(-c2ccccc2)oc1C[NH+]1CCC(CC[NH3+])CC1 ZINC000516932121 503622266 /nfs/dbraw/zinc/62/22/66/503622266.db2.gz CBZUZCOWPDXQMW-UHFFFAOYSA-N 2 0 357.454 3.079 20 0 FGADRP CC(C)(C)C[N@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)Cc1ccccc1 ZINC000509082070 503636984 /nfs/dbraw/zinc/63/69/84/503636984.db2.gz VGLRKKWQXGAMAB-UHFFFAOYSA-N 2 0 357.542 3.278 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1cccc(F)c1Cl ZINC000494988298 503645973 /nfs/dbraw/zinc/64/59/73/503645973.db2.gz NNNGOYLSCFMTNA-CQSZACIVSA-N 2 0 370.900 3.359 20 0 FGADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2c(C)nn(-c3ccccc3)c2C)C1 ZINC000536696328 503685561 /nfs/dbraw/zinc/68/55/61/503685561.db2.gz IQRCYVZJFPGLAP-NRFANRHFSA-N 2 0 370.541 3.422 20 0 FGADRP C[NH+](C)[C@H]1CCCN(C(=O)c2cccc(C[N@H+](C)Cc3ccccc3)c2)C1 ZINC000543288212 503710908 /nfs/dbraw/zinc/71/09/08/503710908.db2.gz IDKZYUDRTBEOCF-QFIPXVFZSA-N 2 0 365.521 3.485 20 0 FGADRP OC[C@H](C[NH2+]C1CC[NH+](CC2CC2)CC1)Cc1ccc(C(F)(F)F)cc1 ZINC000540395702 503758841 /nfs/dbraw/zinc/75/88/41/503758841.db2.gz DXNOKTBZIKQILN-KRWDZBQOSA-N 2 0 370.459 3.320 20 0 FGADRP COc1cc2c(cc1F)CN(Cc1cn(-c3cc[nH+]cc3)nc1C)CC2 ZINC000543413839 503760999 /nfs/dbraw/zinc/76/09/99/503760999.db2.gz HBSGUWJNUKUHDO-UHFFFAOYSA-N 2 0 352.413 3.282 20 0 FGADRP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCc2ccc(C[NH+](C)C)cc2)C1 ZINC000517702163 503811489 /nfs/dbraw/zinc/81/14/89/503811489.db2.gz METKRHNAHLMYGC-SFHVURJKSA-N 2 0 374.573 3.448 20 0 FGADRP CC(C)CO[C@@H]1C[C@H]([NH2+][C@@H](CN2CC[NH+](C)CC2)c2ccccc2)C1(C)C ZINC000540595606 503828198 /nfs/dbraw/zinc/82/81/98/503828198.db2.gz CJKJHSVKKAWABE-FDFHNCONSA-N 2 0 373.585 3.404 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)CCN(C)c2cc[nH+]cc2)C1 ZINC000543715224 503864557 /nfs/dbraw/zinc/86/45/57/503864557.db2.gz LKFYUNSDFWDUDI-MOPGFXCFSA-N 2 0 358.530 3.021 20 0 FGADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)N1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000517917242 503867370 /nfs/dbraw/zinc/86/73/70/503867370.db2.gz BHJKTGZQAQANMM-IBGZPJMESA-N 2 0 372.557 3.167 20 0 FGADRP CN(CCC[NH+]1CCCC1)C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000540729964 503871842 /nfs/dbraw/zinc/87/18/42/503871842.db2.gz JKBWCICSAQFSOU-UHFFFAOYSA-N 2 0 372.557 3.300 20 0 FGADRP C[NH+]1CCC(C[NH2+]Cc2c[nH]nc2-c2ccc(Br)s2)CC1 ZINC000527655189 503877747 /nfs/dbraw/zinc/87/77/47/503877747.db2.gz ZAAWMWYQTXBTMY-UHFFFAOYSA-N 2 0 369.332 3.332 20 0 FGADRP O=C(C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1)Nc1ccc(Cl)c(F)c1 ZINC000530222032 503882242 /nfs/dbraw/zinc/88/22/42/503882242.db2.gz QRNSRQQLPVVEML-KBPBESRZSA-N 2 0 353.869 3.129 20 0 FGADRP CC(C)[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1cc2ccccc2o1 ZINC000537345401 503884173 /nfs/dbraw/zinc/88/41/73/503884173.db2.gz ZGOQDZUJNKUXDR-YLJYHZDGSA-N 2 0 357.498 3.307 20 0 FGADRP CC(C)(C)c1ccccc1NC(=O)CN1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530238495 503888343 /nfs/dbraw/zinc/88/83/43/503888343.db2.gz OFILIJAYDRXROK-GOSISDBHSA-N 2 0 373.541 3.013 20 0 FGADRP C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000518083360 503904421 /nfs/dbraw/zinc/90/44/21/503904421.db2.gz ZDTZIYKRUCUKDE-OALUTQOASA-N 2 0 372.557 3.345 20 0 FGADRP CC[NH+](CC)Cc1ccccc1CNC(=O)N(C)CCC[NH+]1CCCC1 ZINC000537427316 503913204 /nfs/dbraw/zinc/91/32/04/503913204.db2.gz HNQFISLEOYIHOY-UHFFFAOYSA-N 2 0 360.546 3.156 20 0 FGADRP C[N@@H+]1CC[C@@H](CNC(=O)C2(C[NH3+])CCCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000518167936 503919322 /nfs/dbraw/zinc/91/93/22/503919322.db2.gz RIFWSSNVPVVFJH-WMLDXEAASA-N 2 0 367.896 3.107 20 0 FGADRP FC(F)(F)[C@H](CNC1CC[NH+](CCc2ccccc2)CC1)n1cccn1 ZINC000527739558 503921855 /nfs/dbraw/zinc/92/18/55/503921855.db2.gz VXKSHSCEZNHXHU-SFHVURJKSA-N 2 0 366.431 3.283 20 0 FGADRP C/C(=C/c1ccccc1)C[NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000518274286 503940603 /nfs/dbraw/zinc/94/06/03/503940603.db2.gz RKDDWPWQSOYUKN-ZZEZOPTASA-N 2 0 350.510 3.287 20 0 FGADRP COc1cc(-c2ccccc2)ccc1C[NH2+]CCCC[NH+]1CCN(C)CC1 ZINC000540975249 503962154 /nfs/dbraw/zinc/96/21/54/503962154.db2.gz QKDPBVKZXZFWOL-UHFFFAOYSA-N 2 0 367.537 3.479 20 0 FGADRP CC(C)[N@H+](C)CC1CCN(C(=O)NC[C@]2([NH+](C)C)CCC[C@@H](C)C2)CC1 ZINC000518360770 503962422 /nfs/dbraw/zinc/96/24/22/503962422.db2.gz FWKIAMCHOTUKFC-NQIIRXRSSA-N 2 0 366.594 3.259 20 0 FGADRP C[C@H]1CCC[C@](CNC(=O)N2CCC([NH+]3CCCCC3)CC2)([NH+](C)C)C1 ZINC000518367680 503964868 /nfs/dbraw/zinc/96/48/68/503964868.db2.gz WYLDQQDLNUEVAJ-RXVVDRJESA-N 2 0 364.578 3.157 20 0 FGADRP C[C@H](CCNC(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1)[NH+]1CCCCC1 ZINC000544297795 504077665 /nfs/dbraw/zinc/07/76/65/504077665.db2.gz CQMQLAFQDRWQBH-TZIWHRDSSA-N 2 0 372.557 3.387 20 0 FGADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)NC[C@@H]2CC[NH+]2C2CCCCC2)C1 ZINC000528146440 504090686 /nfs/dbraw/zinc/09/06/86/504090686.db2.gz ACVZEHILZHBQMI-QUCCMNQESA-N 2 0 364.578 3.061 20 0 FGADRP CN(C)CC[NH+]1CCC(C[NH2+][C@H](c2ccc(F)cc2)c2cccnc2)CC1 ZINC000544358046 504101073 /nfs/dbraw/zinc/10/10/73/504101073.db2.gz JAHKEUUDLLWWPV-JOCHJYFZSA-N 2 0 370.516 3.173 20 0 FGADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)[C@@H]1C[C@@H]1c1cccc(Cl)c1Cl ZINC000530879889 504117885 /nfs/dbraw/zinc/11/78/85/504117885.db2.gz AFPGQWDOJOPEKB-HUUCEWRRSA-N 2 0 372.340 3.049 20 0 FGADRP O[C@@H](C[NH2+]C1CC[NH+](C2CCCC2)CC1)COCc1ccc(Cl)cc1 ZINC000519141643 504148989 /nfs/dbraw/zinc/14/89/89/504148989.db2.gz ORAABOSMTDLPGQ-FQEVSTJZSA-N 2 0 366.933 3.214 20 0 FGADRP COCC[C@H](c1ccccc1)[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000544491618 504152384 /nfs/dbraw/zinc/15/23/84/504152384.db2.gz QDWRCULVEGPWFU-OAQYLSRUSA-N 2 0 359.558 3.114 20 0 FGADRP Cc1ccc(C)c(OCC[NH+]2CCC(C)(C[NH+]3CCN(C)CC3)CC2)c1 ZINC000544491921 504152491 /nfs/dbraw/zinc/15/24/91/504152491.db2.gz HCBFKLCVOBIIQR-UHFFFAOYSA-N 2 0 359.558 3.032 20 0 FGADRP CC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H](C)[NH+]2CCC(Cc3ccccc3)CC2)C1 ZINC000544555686 504172352 /nfs/dbraw/zinc/17/23/52/504172352.db2.gz JQWZYZFIDOAEHR-KNQAVFIVSA-N 2 0 371.569 3.178 20 0 FGADRP c1cn(-c2csc(C[NH+]3CCC(CCC[NH+]4CCOCC4)CC3)c2)cn1 ZINC000541555467 504175107 /nfs/dbraw/zinc/17/51/07/504175107.db2.gz ALCCYYHJEXCORH-UHFFFAOYSA-N 2 0 374.554 3.258 20 0 FGADRP CN(CCC[NH+]1CCCC1)C(=O)NC[C@@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000544598821 504186755 /nfs/dbraw/zinc/18/67/55/504186755.db2.gz YDCTXIJSRPUKSJ-NRFANRHFSA-N 2 0 372.557 3.024 20 0 FGADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2cn(C)nc2-c2ccccc2)C1 ZINC000538304468 504198109 /nfs/dbraw/zinc/19/81/09/504198109.db2.gz IBMVRSRBVNOISN-FQEVSTJZSA-N 2 0 356.514 3.020 20 0 FGADRP CCn1ccnc1C[NH2+]CCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000531141783 504202748 /nfs/dbraw/zinc/20/27/48/504202748.db2.gz BXMDJIHPGBPGEZ-UHFFFAOYSA-N 2 0 356.514 3.064 20 0 FGADRP CC[C@@H]([NH2+]CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)c1ccc(C)cc1 ZINC000547787137 504225110 /nfs/dbraw/zinc/22/51/10/504225110.db2.gz HDBBUFRNYNELDC-RTWAWAEBSA-N 2 0 353.510 3.455 20 0 FGADRP CCO[C@@H]1C[C@H]([NH2+]Cc2ccnc(OCC[NH+](C)C)c2)C12CCCCC2 ZINC000538406467 504238109 /nfs/dbraw/zinc/23/81/09/504238109.db2.gz GUIGTLLMISJXIS-RBUKOAKNSA-N 2 0 361.530 3.240 20 0 FGADRP CC[NH+](CC)[C@@H]1CCN(C(=O)NC[C@H](c2ccc(Cl)cc2)[NH+](C)C)C1 ZINC000531317760 504263343 /nfs/dbraw/zinc/26/33/43/504263343.db2.gz AJBRJQSMXWWBIE-QZTJIDSGSA-N 2 0 366.937 3.068 20 0 FGADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC[C@@H](CC(=O)NCc2ccc(F)cc2)C1 ZINC000519600730 504269562 /nfs/dbraw/zinc/26/95/62/504269562.db2.gz PPFMTCCLKOTYNL-AZUAARDMSA-N 2 0 361.505 3.028 20 0 FGADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)[C@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000531357240 504277736 /nfs/dbraw/zinc/27/77/36/504277736.db2.gz GVDAHCTYHVGBQM-CABCVRRESA-N 2 0 372.340 3.049 20 0 FGADRP CN(CCC(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1)c1cc[nH+]cc1 ZINC000541855245 504278181 /nfs/dbraw/zinc/27/81/81/504278181.db2.gz KUUPCCAZSZPBGT-UHFFFAOYSA-N 2 0 366.509 3.031 20 0 FGADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H](O)COc2cccc3ccccc32)C[C@H]1C ZINC000531378467 504285865 /nfs/dbraw/zinc/28/58/65/504285865.db2.gz NZIIFSAFXZCOGL-HOJAQTOUSA-N 2 0 356.510 3.384 20 0 FGADRP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@]23C[NH2+]C[C@@H]2CCCC3)CC1 ZINC000519641972 504286592 /nfs/dbraw/zinc/28/65/92/504286592.db2.gz HTWZTQVHIUTOMF-LQBOVUBWSA-N 2 0 355.526 3.108 20 0 FGADRP C[N@H+](CCC(=O)N(Cc1ccco1)C1CC[NH+](C)CC1)C1CCCCC1 ZINC000548061072 504315612 /nfs/dbraw/zinc/31/56/12/504315612.db2.gz YBGSJROFIBYKOO-UHFFFAOYSA-N 2 0 361.530 3.357 20 0 FGADRP C[NH+]1CCC(C[NH2+]Cc2cn(-c3cccc(Cl)c3Cl)nn2)CC1 ZINC000535088406 504340840 /nfs/dbraw/zinc/34/08/40/504340840.db2.gz TWLUGLCTYMGOAR-UHFFFAOYSA-N 2 0 354.285 3.006 20 0 FGADRP COc1cccc(CN2CC[C@@H](C[N@H+](C)CC3CC3)C2)c1OC(F)F ZINC000538752158 504358861 /nfs/dbraw/zinc/35/88/61/504358861.db2.gz MNVVLJLTQIVMIX-HNNXBMFYSA-N 2 0 354.441 3.460 20 0 FGADRP CC[NH+](CC)CCOC1CC[NH+](Cc2ccc(OC)cc2OC)CC1 ZINC000538762462 504361475 /nfs/dbraw/zinc/36/14/75/504361475.db2.gz QTBWYYIIZHAOPR-UHFFFAOYSA-N 2 0 350.503 3.027 20 0 FGADRP C[C@H](CC(N)=O)[NH2+]Cc1ccccc1-c1ccc(C[NH+]2CCCC2)cc1 ZINC000531691703 504394325 /nfs/dbraw/zinc/39/43/25/504394325.db2.gz KDVKAQRZXVOWDD-QGZVFWFLSA-N 2 0 351.494 3.303 20 0 FGADRP CC[NH+](CC)C[C@H](C)NC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000520004722 504397569 /nfs/dbraw/zinc/39/75/69/504397569.db2.gz YMWWPDSULNQECA-SFHVURJKSA-N 2 0 360.546 3.202 20 0 FGADRP C[C@H](CCN1C(=O)c2ccccc2C1=O)[NH2+]CCC[N@H+](C)C1CCCCC1 ZINC000545247226 504415073 /nfs/dbraw/zinc/41/50/73/504415073.db2.gz YPGZWWFULAQDTI-QGZVFWFLSA-N 2 0 371.525 3.305 20 0 FGADRP CCC[NH+]1CCN(c2ccccc2C[NH2+]CC2(CCO)CCCC2)CC1 ZINC000531783976 504423340 /nfs/dbraw/zinc/42/33/40/504423340.db2.gz AZEFZZOGGPCXRE-UHFFFAOYSA-N 2 0 359.558 3.251 20 0 FGADRP COc1ccc(-c2ccccc2)cc1C[NH2+][C@@H](C)CN1CC[NH+](C)CC1 ZINC000531789769 504424297 /nfs/dbraw/zinc/42/42/97/504424297.db2.gz DGURMWNYFFBCLN-SFHVURJKSA-N 2 0 353.510 3.088 20 0 FGADRP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)CCN(C)c1cc[nH+]cc1 ZINC000545305710 504436662 /nfs/dbraw/zinc/43/66/62/504436662.db2.gz PHDRZGHYUZLFFJ-NRFANRHFSA-N 2 0 368.525 3.181 20 0 FGADRP CC[N@H+](Cc1ccc(C(=O)N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc1)C1CC1 ZINC000520226422 504440419 /nfs/dbraw/zinc/44/04/19/504440419.db2.gz QNPKFIPBRAHSMT-WOJBJXKFSA-N 2 0 355.526 3.133 20 0 FGADRP Cc1c(Cl)cc(NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc1Cl ZINC000548520975 504475832 /nfs/dbraw/zinc/47/58/32/504475832.db2.gz DGABENWMDIGTHF-UHFFFAOYSA-N 2 0 361.317 3.259 20 0 FGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H](C)c2sccc2Br)CC1 ZINC000531959499 504487804 /nfs/dbraw/zinc/48/78/04/504487804.db2.gz KDPRWGASKHELBX-ZIAGYGMSSA-N 2 0 374.392 3.435 20 0 FGADRP C[NH+](C)Cc1cccc(CNC(=O)N2CC[NH+](CCC(C)(C)C)CC2)c1 ZINC000520406074 504491549 /nfs/dbraw/zinc/49/15/49/504491549.db2.gz YGLLLYICTLNBNT-UHFFFAOYSA-N 2 0 360.546 3.012 20 0 FGADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H](Cc1cccnc1)c1ccc(Cl)cc1 ZINC000545457325 504493477 /nfs/dbraw/zinc/49/34/77/504493477.db2.gz HDMXADUGANGHRG-DYESRHJHSA-N 2 0 372.944 3.244 20 0 FGADRP CCO[C@@H]1C[C@H]([NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3C)CC2)[C@]12CCCO2 ZINC000545458287 504493946 /nfs/dbraw/zinc/49/39/46/504493946.db2.gz ZGDQAMFUIXMBGK-JOZSIVFUSA-N 2 0 350.547 3.346 20 0 FGADRP CC[NH+](CC)CCCNC(=O)C1CC[NH+](Cc2cc3ccccc3o2)CC1 ZINC000532013830 504505485 /nfs/dbraw/zinc/50/54/85/504505485.db2.gz FDYCNNHHURETTI-UHFFFAOYSA-N 2 0 371.525 3.493 20 0 FGADRP CCC[NH+]1CCN(c2ccccc2C[NH2+]CCCNc2ccccn2)CC1 ZINC000532042394 504514385 /nfs/dbraw/zinc/51/43/85/504514385.db2.gz MZUKXLAFBJFNNV-UHFFFAOYSA-N 2 0 367.541 3.205 20 0 FGADRP C[C@@H]([NH2+]CCc1ccc(OCC[N@@H+]2C[C@H](C)[C@H](C)C2)cc1)c1cnccn1 ZINC000539299126 504523310 /nfs/dbraw/zinc/52/33/10/504523310.db2.gz WDKZZTJQGYKIHJ-CEXWTWQISA-N 2 0 368.525 3.337 20 0 FGADRP CC(C)[C@H](CNC(=O)NCCC[N@H+](C)C1CCCCC1)[NH+]1CCCC1 ZINC000520619812 504543106 /nfs/dbraw/zinc/54/31/06/504543106.db2.gz AAMSERGORDPHSX-IBGZPJMESA-N 2 0 352.567 3.061 20 0 FGADRP COc1ccc(C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)c(OC)c1OC ZINC000535811994 504553186 /nfs/dbraw/zinc/55/31/86/504553186.db2.gz XMMRYLLPSXJDFO-UHFFFAOYSA-N 2 0 350.503 3.265 20 0 FGADRP C[C@H]([NH2+]CCCC[NH+]1CCN(C)CC1)c1ccc(Br)cc1 ZINC000532195615 504569847 /nfs/dbraw/zinc/56/98/47/504569847.db2.gz VUBNGCVFLDMBEF-HNNXBMFYSA-N 2 0 354.336 3.127 20 0 FGADRP Cc1ccc(C[N@@H+]2CCCN(C(=O)C[NH+](C3CC3)C3CCCC3)CC2)cc1 ZINC000539450596 504575996 /nfs/dbraw/zinc/57/59/96/504575996.db2.gz REJFBXQOJGRRJO-UHFFFAOYSA-N 2 0 369.553 3.436 20 0 FGADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC1(O)Cc2ccccc2C1 ZINC000532235627 504582243 /nfs/dbraw/zinc/58/22/43/504582243.db2.gz IEQKLGUHXLSUIK-AVRDEDQJSA-N 2 0 350.506 3.017 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC1(O)Cc2ccccc2C1 ZINC000532235630 504582460 /nfs/dbraw/zinc/58/24/60/504582460.db2.gz IEQKLGUHXLSUIK-XMSQKQJNSA-N 2 0 350.506 3.017 20 0 FGADRP Cc1ccc(Cl)c(OC[C@H](O)C[NH2+]CCCC[N@H+]2CCC[C@H](C)C2)c1 ZINC000520797694 504584009 /nfs/dbraw/zinc/58/40/09/504584009.db2.gz IXAGRNYDHYXIPW-ZWKOTPCHSA-N 2 0 368.949 3.490 20 0 FGADRP CCCC[N@H+](C)CC1CC[NH+]([C@@H](C)C(=O)NCc2ccccc2C)CC1 ZINC000520793173 504584342 /nfs/dbraw/zinc/58/43/42/504584342.db2.gz QXNAGIBGHJOQKW-IBGZPJMESA-N 2 0 359.558 3.444 20 0 FGADRP CCO[C@@H]1C[C@@H]([NH2+]Cc2ccccc2CN2CC[NH+](CC)CC2)C12CCC2 ZINC000539500231 504591186 /nfs/dbraw/zinc/59/11/86/504591186.db2.gz VIRXHMHIQJEIFW-FGZHOGPDSA-N 2 0 371.569 3.261 20 0 FGADRP CC[NH+](CC)[C@H](C(=O)N[C@@H](C)CCC[NH3+])c1cccc(C(F)(F)F)c1 ZINC000521042892 504636112 /nfs/dbraw/zinc/63/61/12/504636112.db2.gz XEJIWCXVFYCPRA-BBRMVZONSA-N 2 0 359.436 3.332 20 0 FGADRP C[C@@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]CCN1CCC[C@@H](C)C1 ZINC000532458344 504658409 /nfs/dbraw/zinc/65/84/09/504658409.db2.gz JTLDIPIQZHQCGG-SJORKVTESA-N 2 0 365.949 3.399 20 0 FGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000521233522 504688781 /nfs/dbraw/zinc/68/87/81/504688781.db2.gz QKKRSRJKTSHWOC-OAQYLSRUSA-N 2 0 357.542 3.409 20 0 FGADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](CC(=O)C23CC4CC(CC(C4)C2)C3)C1 ZINC000532568379 504694999 /nfs/dbraw/zinc/69/49/99/504694999.db2.gz KTPGLTKWHKAGOZ-KTKXKACQSA-N 2 0 362.558 3.205 20 0 FGADRP COCc1ccc(C[N@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)o1 ZINC000539823302 504705040 /nfs/dbraw/zinc/70/50/40/504705040.db2.gz ZUIKDEHXPKIUPS-UHFFFAOYSA-N 2 0 363.546 3.054 20 0 FGADRP CCC[NH+]1CCN(c2ccccc2C[N@@H+]2CC[C@H]([C@@H]3CCOC3)C2)CC1 ZINC000539852510 504717672 /nfs/dbraw/zinc/71/76/72/504717672.db2.gz TVPVKAYHTHSVPZ-PZJWPPBQSA-N 2 0 357.542 3.077 20 0 FGADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2Cc1cccc(-c2ccncc2)c1 ZINC000539895586 504732953 /nfs/dbraw/zinc/73/29/53/504732953.db2.gz FBWWEMAMNUSEFI-YPAWHYETSA-N 2 0 351.494 3.432 20 0 FGADRP CN(CC[N@H+](C)CCOc1cc(Cl)cc(Cl)c1)C1CC[NH+](C)CC1 ZINC000536454925 504738430 /nfs/dbraw/zinc/73/84/30/504738430.db2.gz XNVWNJDLJDPBCJ-UHFFFAOYSA-N 2 0 374.356 3.330 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1)c1ccco1 ZINC000521487102 504745959 /nfs/dbraw/zinc/74/59/59/504745959.db2.gz VYXGAMJWPXZMHF-PMACEKPBSA-N 2 0 369.509 3.443 20 0 FGADRP CC[N@H+](CCC1CCN(C(=O)NC[C@@H](C)[NH+](C)C2CC2)CC1)CC1CC1 ZINC000540010159 504759011 /nfs/dbraw/zinc/75/90/11/504759011.db2.gz XJJZCIDFCBAWOW-QGZVFWFLSA-N 2 0 364.578 3.013 20 0 FGADRP C[C@H]([NH2+][C@@H](CO)Cc1ccc(F)cc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000552922993 504789107 /nfs/dbraw/zinc/78/91/07/504789107.db2.gz DDMOVWBIDAJNOH-OXJNMPFZSA-N 2 0 360.473 3.020 20 0 FGADRP C[C@H](C(=O)NCc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1)[NH+]1CC(C)C1 ZINC000552998127 504801227 /nfs/dbraw/zinc/80/12/27/504801227.db2.gz SZJPBJYZLCPIPO-ZIFCJYIRSA-N 2 0 357.542 3.121 20 0 FGADRP Brc1cccc2c1C[C@H]([NH2+]CCCC[NH+]1CCOCC1)CC2 ZINC000559242826 504806917 /nfs/dbraw/zinc/80/69/17/504806917.db2.gz DBBOMBNOSCDNTC-MRXNPFEDSA-N 2 0 367.331 3.008 20 0 FGADRP CCS(=O)(=O)c1ccc(C[NH2+][C@@H]2CCN(C)[C@@H](c3ccccc3)C2)cc1 ZINC000556160236 504807393 /nfs/dbraw/zinc/80/73/93/504807393.db2.gz UJLPFTYTXNUVJU-TZIWHRDSSA-N 2 0 372.534 3.405 20 0 FGADRP COc1cccc([C@@H](CNC(=O)CC[N@@H+]2CCCC[C@H]2C)[NH+]2CCCC2)c1 ZINC000559260741 504811273 /nfs/dbraw/zinc/81/12/73/504811273.db2.gz APMAIRCJLTYXPB-WIYYLYMNSA-N 2 0 373.541 3.213 20 0 FGADRP C[C@H]([NH2+]Cc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1)C(C)(C)n1cncn1 ZINC000556234660 504824787 /nfs/dbraw/zinc/82/47/87/504824787.db2.gz WLKZSPBRQKQNDA-ROUUACIJSA-N 2 0 355.530 3.423 20 0 FGADRP CN(c1ccccc1C[NH2+]C[C@@H](CO)C1CCCCC1)C1CC[NH+](C)CC1 ZINC000559333618 504838018 /nfs/dbraw/zinc/83/80/18/504838018.db2.gz OMNYNTZHWXGZBH-NRFANRHFSA-N 2 0 373.585 3.495 20 0 FGADRP CC[C@H](C(=O)N1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1)[N@H+](C)Cc1ccccc1 ZINC000559337340 504838558 /nfs/dbraw/zinc/83/85/58/504838558.db2.gz UCHXLMJCQHVXHR-FCEUIQTBSA-N 2 0 369.553 3.372 20 0 FGADRP CC(C)(C)[C@H](CO)[NH2+]Cc1cc(Cl)cc(C[NH2+][C@@H](CO)C(C)(C)C)c1 ZINC000562534334 504850427 /nfs/dbraw/zinc/85/04/27/504850427.db2.gz GDKBINDRFSNFQF-ROUUACIJSA-N 2 0 370.965 3.333 20 0 FGADRP CC(C[NH+]1CCC[C@@](CO)(C(C)C)C1)C[N@@H+]1CCC[C@@](CO)(C(C)C)C1 ZINC000559424516 504858996 /nfs/dbraw/zinc/85/89/96/504858996.db2.gz IXUIAZMPPRXKHY-FGZHOGPDSA-N 2 0 368.606 3.084 20 0 FGADRP C[C@H]1CCCC[N@@H+]1CCC(=O)NC[C@H]1CCC[NH+](Cc2cccs2)C1 ZINC000549750990 504888367 /nfs/dbraw/zinc/88/83/67/504888367.db2.gz PRLICOOXNFHFDP-ZWKOTPCHSA-N 2 0 363.571 3.341 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)C[C@H]1C ZINC000556497883 504889008 /nfs/dbraw/zinc/88/90/08/504889008.db2.gz QJBHFRYFEJMOPP-BAGYTPMASA-N 2 0 359.558 3.082 20 0 FGADRP C[NH+](C)[C@@H](CNC(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(F)cc1 ZINC000553351285 504890703 /nfs/dbraw/zinc/89/07/03/504890703.db2.gz HJXXDBHOESASQK-CTNGQTDRSA-N 2 0 369.484 3.067 20 0 FGADRP CC[N@H+](Cc1ccc(C(=O)N2C[C@H]([NH+]3CCCC3)C[C@H]2C)cc1)C1CC1 ZINC000553434939 504914503 /nfs/dbraw/zinc/91/45/03/504914503.db2.gz XQMNEBYVDZEOLY-DYESRHJHSA-N 2 0 355.526 3.370 20 0 FGADRP CC[NH+](CC)C[C@@H]1CCN(Cc2cccc(I)c2)C1 ZINC000556599132 504915559 /nfs/dbraw/zinc/91/55/59/504915559.db2.gz ZBODSUBRDRCKJN-HNNXBMFYSA-N 2 0 372.294 3.455 20 0 FGADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]C[C@@H](O)COc2ccc3ccccc3c2)C1 ZINC000565536207 504916254 /nfs/dbraw/zinc/91/62/54/504916254.db2.gz YCQXNADRLBJLEZ-GHTZIAJQSA-N 2 0 356.510 3.290 20 0 FGADRP Cc1ncccc1C[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000549881828 504924035 /nfs/dbraw/zinc/92/40/35/504924035.db2.gz AJBQZJUGUFUXME-JOCHJYFZSA-N 2 0 365.521 3.408 20 0 FGADRP CC[C@@H](Cn1cncn1)[NH2+]Cc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000559896619 504946813 /nfs/dbraw/zinc/94/68/13/504946813.db2.gz VSQNTSUCPFFDCD-UEXGIBASSA-N 2 0 355.530 3.324 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N1C[C@H]([NH+]2CCCC2)C[C@H]1C)CC(C)C ZINC000553600131 504959030 /nfs/dbraw/zinc/95/90/30/504959030.db2.gz VXQKVYZZPYVWKM-CEXWTWQISA-N 2 0 352.567 3.011 20 0 FGADRP CC[C@H](C(=O)Nc1ccc(OCC[NH+](C)C)cc1)[N@H+](C)Cc1ccccc1 ZINC000550138716 504975450 /nfs/dbraw/zinc/97/54/50/504975450.db2.gz BFAMXLKZKGPSJE-OAQYLSRUSA-N 2 0 369.509 3.476 20 0 FGADRP C[C@H]1CC2(C[N@@H+]1CCc1nc(-c3cccc(Cl)c3)no1)CC[NH2+]CC2 ZINC000562970037 505004641 /nfs/dbraw/zinc/00/46/41/505004641.db2.gz RXPXSRPBVYVNTJ-AWEZNQCLSA-N 2 0 360.889 3.397 20 0 FGADRP C[C@@H]1C[C@@H]([NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)CCO1 ZINC000550262721 505005777 /nfs/dbraw/zinc/00/57/77/505005777.db2.gz PJDAQYZMUNIPAX-GIVPXCGWSA-N 2 0 358.526 3.072 20 0 FGADRP C[N@@H+]1CC[C@H]([NH2+]CCc2nc(-c3cccc(Cl)c3)no2)[C@H]2CCC[C@H]21 ZINC000556885979 505006617 /nfs/dbraw/zinc/00/66/17/505006617.db2.gz ROEHMXZOUOCSRN-IXDOHACOSA-N 2 0 360.889 3.395 20 0 FGADRP CNC(=O)C(C)(C)C[NH2+][C@@H]1CCCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000556886234 505006717 /nfs/dbraw/zinc/00/67/17/505006717.db2.gz KDNUJPUOQOXSOO-VAMGGRTRSA-N 2 0 357.542 3.039 20 0 FGADRP Cc1cc(C)cc(C[NH+]2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)c1 ZINC000565860070 505008851 /nfs/dbraw/zinc/00/88/51/505008851.db2.gz KTJIXDBZJVJRDP-UHFFFAOYSA-N 2 0 357.542 3.118 20 0 FGADRP C[C@H](OC[C@@H](O)C[NH2+]C1CC[NH+](CC2CC2)CC1)c1ccc(Cl)cc1 ZINC000562988580 505012409 /nfs/dbraw/zinc/01/24/09/505012409.db2.gz PZOOHFWUBLFUDP-YWZLYKJASA-N 2 0 366.933 3.243 20 0 FGADRP CC1(C)CC([NH2+]C[C@@H](O)CO[C@H]2CCCc3ccccc32)CC(C)(C)[NH2+]1 ZINC000550328039 505023921 /nfs/dbraw/zinc/02/39/21/505023921.db2.gz KJPYHWJPVWYAKB-QUCCMNQESA-N 2 0 360.542 3.340 20 0 FGADRP C[C@H]1[NH2+]CC[C@@H]1C(=O)NCc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000563065331 505038368 /nfs/dbraw/zinc/03/83/68/505038368.db2.gz HQBIIXDHRRRSIH-UZLBHIALSA-N 2 0 351.494 3.029 20 0 FGADRP Cc1cc(NC(=O)C[C@@H]2CCCC[C@H]2[NH3+])ccc1OCC[NH+]1CCCC1 ZINC000563082778 505041473 /nfs/dbraw/zinc/04/14/73/505041473.db2.gz ODZFGNINHXSCPZ-PKOBYXMFSA-N 2 0 359.514 3.316 20 0 FGADRP C[NH+](C)CCOc1ccc(NC(=O)C[C@@H]2CCCC[C@H]2[NH3+])cc1Cl ZINC000563082604 505041918 /nfs/dbraw/zinc/04/19/18/505041918.db2.gz HBHNEYMCBZMHCA-XJKSGUPXSA-N 2 0 353.894 3.127 20 0 FGADRP COC1([C@H](C)[NH2+]Cc2cncc(C[NH2+][C@@H](C)C3(OC)CCC3)c2)CCC1 ZINC000563232844 505082416 /nfs/dbraw/zinc/08/24/16/505082416.db2.gz DGEGMOWYOWDAJR-IRXDYDNUSA-N 2 0 361.530 3.176 20 0 FGADRP CC1CC[NH+](CCCC[NH2+]C[C@H](O)COc2cccc3[nH]ccc32)CC1 ZINC000566106524 505083465 /nfs/dbraw/zinc/08/34/65/505083465.db2.gz SYEQNITVFGLYOO-SFHVURJKSA-N 2 0 359.514 3.009 20 0 FGADRP C[NH+](C)[C@@H](CNC(=O)C(C)(C)[C@H]([NH3+])c1ccccc1)Cc1ccccc1 ZINC000566147334 505096772 /nfs/dbraw/zinc/09/67/72/505096772.db2.gz PGSGRDQDSPNPIW-WOJBJXKFSA-N 2 0 353.510 3.002 20 0 FGADRP Cc1ccc(C[NH+]2CC[C@@H](CN(C)C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)s1 ZINC000560482886 505099768 /nfs/dbraw/zinc/09/97/68/505099768.db2.gz BQQWOTQIVSNVTJ-SZMVWBNQSA-N 2 0 363.571 3.067 20 0 FGADRP C[C@H](C(=O)N(CCC[NH+](C)C)Cc1ccc(Cl)c(Cl)c1)C1C[NH2+]C1 ZINC000566163572 505101709 /nfs/dbraw/zinc/10/17/09/505101709.db2.gz XPJXABBDXIOQQB-ZDUSSCGKSA-N 2 0 372.340 3.129 20 0 FGADRP CC1(C)C[NH2+][C@H]1C1CCN(C(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2)CC1 ZINC000566208360 505112011 /nfs/dbraw/zinc/11/20/11/505112011.db2.gz OPPXTJWFZBFFQT-SFTDATJTSA-N 2 0 369.553 3.278 20 0 FGADRP COc1ccc(Cl)cc1N1CC[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)C1 ZINC000560525937 505114882 /nfs/dbraw/zinc/11/48/82/505114882.db2.gz BGNXSYNLMYNZNP-MLHJIOFPSA-N 2 0 363.933 3.390 20 0 FGADRP C[N@@H+]1CC[C@H]([NH2+]C[C@H](O)COc2cccc(Cl)c2Cl)[C@H]2CCC[C@H]21 ZINC000560530247 505116424 /nfs/dbraw/zinc/11/64/24/505116424.db2.gz PGQIAXOUHYTHJY-LQKXBSAESA-N 2 0 373.324 3.196 20 0 FGADRP FC(F)Cn1cc(CN2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)cn1 ZINC000560533576 505116890 /nfs/dbraw/zinc/11/68/90/505116890.db2.gz QQQHLJSBYNUBDZ-OALUTQOASA-N 2 0 360.452 3.102 20 0 FGADRP C[C@H]([NH2+]CCCC[NH+]1CCN(Cc2ccccc2)CC1)[C@@]1(C)CCCO1 ZINC000550886271 505119463 /nfs/dbraw/zinc/11/94/63/505119463.db2.gz GOXICPJAUZGACQ-RBBKRZOGSA-N 2 0 359.558 3.132 20 0 FGADRP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H](C)C1)C(C)(C)n1cncn1 ZINC000550886559 505120253 /nfs/dbraw/zinc/12/02/53/505120253.db2.gz HMCFIZLOOWAUDF-ZWKOTPCHSA-N 2 0 355.530 3.423 20 0 FGADRP CC(C)[C@H](C[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1)N1CCOCC1 ZINC000550892129 505121253 /nfs/dbraw/zinc/12/12/53/505121253.db2.gz PBGNISTYJVCOFB-VNXZQDSDSA-N 2 0 373.585 3.376 20 0 FGADRP Cc1ccc(-c2noc(CCC[N@@H+]3C[C@@H]4CCC[C@H]([NH3+])[C@H]4C3)n2)cc1F ZINC000566244450 505121401 /nfs/dbraw/zinc/12/14/01/505121401.db2.gz UXXUSAXJGKEFRT-BQFCYCMXSA-N 2 0 358.461 3.176 20 0 FGADRP CC(C)(C)[C@H](NC(=O)C[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)c1cccs1 ZINC000566245232 505121446 /nfs/dbraw/zinc/12/14/46/505121446.db2.gz MUKZUZBULPJOEF-GPMSIDNRSA-N 2 0 363.571 3.273 20 0 FGADRP CC[NH2+]CC1CC[NH+]([C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)CC1 ZINC000566246392 505122741 /nfs/dbraw/zinc/12/27/41/505122741.db2.gz OKUXLIRFHYOJOU-KRWDZBQOSA-N 2 0 370.324 3.420 20 0 FGADRP CCC(CC)(C[NH3+])C(=O)NC[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000566250858 505123487 /nfs/dbraw/zinc/12/34/87/505123487.db2.gz FLVILTNWUGKQSL-WMLDXEAASA-N 2 0 369.912 3.353 20 0 FGADRP C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)[C@H]([NH3+])c2ccccc2)C1 ZINC000554301363 505139963 /nfs/dbraw/zinc/13/99/63/505139963.db2.gz FEOMGBFDJQOGCJ-DYESRHJHSA-N 2 0 351.494 3.235 20 0 FGADRP O=C(Nc1ccc(CC[NH+]2CCCCC2)cc1)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000563452730 505144719 /nfs/dbraw/zinc/14/47/19/505144719.db2.gz CGGLZMDMPCWXAH-IRFCIJBXSA-N 2 0 370.541 3.225 20 0 FGADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2ccc(Cn3cncn3)cc2)CC1 ZINC000563562251 505177036 /nfs/dbraw/zinc/17/70/36/505177036.db2.gz MVOJJSHVIGNQOH-GCJKJVERSA-N 2 0 367.541 3.459 20 0 FGADRP C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000554481271 505183893 /nfs/dbraw/zinc/18/38/93/505183893.db2.gz XUZWPYUURONKCT-QRVBRYPASA-N 2 0 374.529 3.075 20 0 FGADRP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000566505024 505191637 /nfs/dbraw/zinc/19/16/37/505191637.db2.gz RCCUIUVQMRIRIY-CYBMUJFWSA-N 2 0 372.435 3.406 20 0 FGADRP C[C@H](NC(=O)NCc1cccc(C[NH+]2CCC(C)CC2)c1)[C@@H]1CCC[NH2+]C1 ZINC000563610304 505192167 /nfs/dbraw/zinc/19/21/67/505192167.db2.gz PYBGRBHIIVWBJG-GHTZIAJQSA-N 2 0 372.557 3.106 20 0 FGADRP CC(C)[NH+]1CCC([NH2+][C@H]2CCN(c3cccc(Br)c3)C2)CC1 ZINC000560897297 505208575 /nfs/dbraw/zinc/20/85/75/505208575.db2.gz BKHNROXBIGIQGN-KRWDZBQOSA-N 2 0 366.347 3.490 20 0 FGADRP C[C@H]1C[NH+](CC2CC[NH+](Cc3ccc(C(F)(F)F)cn3)CC2)C[C@H](C)O1 ZINC000551387143 505215164 /nfs/dbraw/zinc/21/51/64/505215164.db2.gz STEFCTGQBXSERJ-GJZGRUSLSA-N 2 0 371.447 3.422 20 0 FGADRP CC(C)CC[NH+]1CCC(CNC(=O)Nc2ccc3c(c2)C[NH2+]CC3)CC1 ZINC000561043773 505236620 /nfs/dbraw/zinc/23/66/20/505236620.db2.gz STDMBOUPYLFIEC-UHFFFAOYSA-N 2 0 358.530 3.212 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccccc2Cn2ccnc2)[C@@H](C)C1 ZINC000564008594 505301374 /nfs/dbraw/zinc/30/13/74/505301374.db2.gz LHVXGOAAGFURFM-UGKGYDQZSA-N 2 0 370.541 3.158 20 0 FGADRP [NH3+][C@@H]1CCO[C@@H](C2CC[NH+](Cc3coc(-c4ccc(F)cc4)n3)CC2)C1 ZINC000561283532 505304788 /nfs/dbraw/zinc/30/47/88/505304788.db2.gz HTLGJPQPYKVVOK-IEBWSBKVSA-N 2 0 359.445 3.199 20 0 FGADRP C[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](Cc3ccccc3)C2)[C@@H]1c1ccccc1 ZINC000561309544 505310860 /nfs/dbraw/zinc/31/08/60/505310860.db2.gz NOEQJZYPYRCIIV-FKBYEOEOSA-N 2 0 363.505 3.070 20 0 FGADRP CN(c1ccccc1C[N@@H+]1CCC[C@@H]1[C@@H]1CCCO1)C1CC[NH+](C)CC1 ZINC000551813596 505316467 /nfs/dbraw/zinc/31/64/67/505316467.db2.gz NFTPSWNGVJEREW-YADHBBJMSA-N 2 0 357.542 3.360 20 0 FGADRP COc1cc2c(c(CNc3ccc(Cn4ccnc4)cn3)c1)O[C@@H](C)C2 ZINC000551964818 505356233 /nfs/dbraw/zinc/35/62/33/505356233.db2.gz OKKFHIGNSQQKOX-AWEZNQCLSA-N 2 0 350.422 3.271 20 0 FGADRP CCc1cc(CCC[NH+]2CCC(CC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)on1 ZINC000564250057 505362705 /nfs/dbraw/zinc/36/27/05/505362705.db2.gz AJIVQHDZWCGNEH-ROUUACIJSA-N 2 0 363.546 3.381 20 0 FGADRP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)CCO[C@@H]3CCCCO3)C2)s1 ZINC000564294121 505374567 /nfs/dbraw/zinc/37/45/67/505374567.db2.gz WMQOGSIDKWGYOH-PKOBYXMFSA-N 2 0 352.544 3.353 20 0 FGADRP CC[C@H]([NH2+]C1CCC([NH+](C)C)CC1)c1ccccc1OCC(=O)N(C)C ZINC000552037883 505377566 /nfs/dbraw/zinc/37/75/66/505377566.db2.gz XSSLWWNWDULTKD-TVPLGVNVSA-N 2 0 361.530 3.067 20 0 FGADRP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N[C@@H](C)C[NH+](C)C(C)C ZINC000564315659 505381225 /nfs/dbraw/zinc/38/12/25/505381225.db2.gz PYFNXCQFCJUCEJ-FPOVZHCZSA-N 2 0 374.573 3.269 20 0 FGADRP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CSCCN2Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000552053981 505384064 /nfs/dbraw/zinc/38/40/64/505384064.db2.gz DMJFXZJOBZTTLU-MXEMCNAFSA-N 2 0 359.583 3.066 20 0 FGADRP Cc1ccc(NC(=O)NC[C@@H]2CCC[N@@H+](C[C@H]3CC[NH2+][C@H](C)C3)C2)cc1 ZINC000567242392 505406065 /nfs/dbraw/zinc/40/60/65/505406065.db2.gz SXXRFTVFTBMWLU-QYZOEREBSA-N 2 0 358.530 3.217 20 0 FGADRP C[N@@H+]1CC[C@H]([NH2+]Cc2cccc(NC(=O)c3ccccn3)c2)[C@H]2CCC[C@@H]21 ZINC000567532279 505490375 /nfs/dbraw/zinc/49/03/75/505490375.db2.gz RQSDHJFKDXVQJS-DYXWJJEUSA-N 2 0 364.493 3.296 20 0 FGADRP CC[C@H](C(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1)[N@H+](C)Cc1ccccc1 ZINC000562034200 505497571 /nfs/dbraw/zinc/49/75/71/505497571.db2.gz RIOFWWMDFKFYGF-UXHICEINSA-N 2 0 369.509 3.443 20 0 FGADRP Cc1c2ccccc2oc1[C@H](C)[NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000558865298 505513984 /nfs/dbraw/zinc/51/39/84/505513984.db2.gz ZQADNYVNLGCFFN-HNNXBMFYSA-N 2 0 355.482 3.135 20 0 FGADRP COc1ccc([C@@H](Cc2ccccc2)[NH2+][C@@H](C)CN2CC[NH+](C)CC2)cc1 ZINC000562095994 505518033 /nfs/dbraw/zinc/51/80/33/505518033.db2.gz PEWCWCRAARLDSN-WMZHIEFXSA-N 2 0 367.537 3.205 20 0 FGADRP Cn1cc(C[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c(-c2ccccc2)n1 ZINC000567645904 505523645 /nfs/dbraw/zinc/52/36/45/505523645.db2.gz IFIXPULZYBNHSX-REWPJTCUSA-N 2 0 374.488 3.433 20 0 FGADRP Cc1cc2ncn(C[C@@H](O)C[NH2+]CCCC[N@H+]3CCC[C@@H](C)C3)c2cc1C ZINC000567678579 505532884 /nfs/dbraw/zinc/53/28/84/505532884.db2.gz WOJSZYSZXZHJQO-XLIONFOSSA-N 2 0 372.557 3.116 20 0 FGADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]C[C@H](O)COc2ccccc2Cl)C1 ZINC000567688609 505537924 /nfs/dbraw/zinc/53/79/24/505537924.db2.gz USVCMMURNLCHKO-SJORKVTESA-N 2 0 354.922 3.037 20 0 FGADRP CC[NH+](CC)C[C@H](C)NC(=O)NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000562240398 505549615 /nfs/dbraw/zinc/54/96/15/505549615.db2.gz DEDNJFKWIZORMR-FPOVZHCZSA-N 2 0 374.573 3.318 20 0 FGADRP CC(C)(C)[NH+]1CCC([NH2+]C[C@@H](O)CO[C@H]2CCCc3ccccc32)CC1 ZINC000567725668 505550148 /nfs/dbraw/zinc/55/01/48/505550148.db2.gz DXJRARZMLWXTPP-CTNGQTDRSA-N 2 0 360.542 3.294 20 0 FGADRP CC1CC[NH+](Cc2ccc(NC(=O)COC3CCC([NH3+])CC3)cc2)CC1 ZINC000564910600 505555847 /nfs/dbraw/zinc/55/58/47/505555847.db2.gz GSXVYSFRYFPLJQ-UHFFFAOYSA-N 2 0 359.514 3.144 20 0 FGADRP C[C@H](NC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1)c1ccc2ccccc2c1 ZINC000564987738 505565841 /nfs/dbraw/zinc/56/58/41/505565841.db2.gz HWXLQXUEUYWYHN-OPXVNJCFSA-N 2 0 365.521 3.465 20 0 FGADRP C[C@H](CC(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1)[C@H]1CCC[NH2+]C1 ZINC000582727859 506387123 /nfs/dbraw/zinc/38/71/23/506387123.db2.gz QGMKSKJEPXXQIC-QUCCMNQESA-N 2 0 372.557 3.172 20 0 FGADRP Oc1ccc2c(c1)[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)CCC2 ZINC000582860929 506459337 /nfs/dbraw/zinc/45/93/37/506459337.db2.gz NCSATCJNKBHPBR-RBBKRZOGSA-N 2 0 352.478 3.126 20 0 FGADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1cc2cc(Cl)ccc2[nH]1 ZINC000603270398 506472178 /nfs/dbraw/zinc/47/21/78/506472178.db2.gz BGGIHVBOETUTFA-UHFFFAOYSA-N 2 0 364.921 3.167 20 0 FGADRP C[N@H+](CCCNC(=O)N1CCC([NH+]2CCCCC2)CC1)Cc1ccccc1 ZINC000612192995 506477284 /nfs/dbraw/zinc/47/72/84/506477284.db2.gz NEMIRZVSIRILNU-UHFFFAOYSA-N 2 0 372.557 3.168 20 0 FGADRP CC[C@H](C)[N@H+](C)CCNC(=O)NCc1ccccc1C[NH+]1CCC[C@@H](C)C1 ZINC000589209790 506484344 /nfs/dbraw/zinc/48/43/44/506484344.db2.gz XCVPSVSJUDHETG-MOPGFXCFSA-N 2 0 374.573 3.448 20 0 FGADRP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1cc(-n2ccnc2)ncn1 ZINC000608368776 506530739 /nfs/dbraw/zinc/53/07/39/506530739.db2.gz UBNIXZQAPSIDFU-IBGZPJMESA-N 2 0 362.481 3.011 20 0 FGADRP C(CC[N@@H+]1CCOC[C@@H](C2CCC2)C1)C[NH+]1CCOC[C@@H](C2CCC2)C1 ZINC000583060961 506567068 /nfs/dbraw/zinc/56/70/68/506567068.db2.gz GKMXZQJBLLLROP-VXKWHMMOSA-N 2 0 364.574 3.264 20 0 FGADRP C[C@H](CNC(=O)N1CC[C@@H]([N@H+](C)Cc2ccccc2)C1)[NH+]1CCC(C)CC1 ZINC000608656143 506651683 /nfs/dbraw/zinc/65/16/83/506651683.db2.gz LDLOTPAVIKWRCN-TZIWHRDSSA-N 2 0 372.557 3.023 20 0 FGADRP CC(C)N(C(=O)C[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1)C(C)C ZINC000589998789 506701789 /nfs/dbraw/zinc/70/17/89/506701789.db2.gz PFLLNGCCAFTOSJ-UHFFFAOYSA-N 2 0 359.558 3.476 20 0 FGADRP CCN(Cc1ccc(C[NH+](C)C)cc1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000589999451 506702062 /nfs/dbraw/zinc/70/20/62/506702062.db2.gz JIOHZJFDGGBHMV-UHFFFAOYSA-N 2 0 350.466 3.419 20 0 FGADRP O=C(NCCC[NH2+]C1CCCCC1)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000604116671 506719961 /nfs/dbraw/zinc/71/99/61/506719961.db2.gz XRPKYRZFFFTRMP-NRFANRHFSA-N 2 0 372.557 3.263 20 0 FGADRP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)N[C@H](C)C[NH+](C)Cc2ccccc2)C1 ZINC000583343845 506727998 /nfs/dbraw/zinc/72/79/98/506727998.db2.gz MFYJMPGLYPTWKX-CTNGQTDRSA-N 2 0 374.573 3.174 20 0 FGADRP COc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]C[C@H]1CC[N@@H+](C(C)C)C1 ZINC000583348832 506729741 /nfs/dbraw/zinc/72/97/41/506729741.db2.gz HDIGZCMBQWLPKC-HUUCEWRRSA-N 2 0 367.921 3.386 20 0 FGADRP O=C(NCCC[NH+]1CCCCC1)N[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000604161910 506730892 /nfs/dbraw/zinc/73/08/92/506730892.db2.gz PCOMGGHTWOSEJH-OAQYLSRUSA-N 2 0 372.557 3.389 20 0 FGADRP CN1CCC([N@@H+]2CC[C@@H](NC(=O)N[C@H](c3ccccc3)C(C)(C)C)C2)CC1 ZINC000604173525 506735824 /nfs/dbraw/zinc/73/58/24/506735824.db2.gz MRNJHBNXTRIFSS-UYAOXDASSA-N 2 0 372.557 3.242 20 0 FGADRP CCC[N@@H+]1CC[C@@H](CNC(=O)N[C@H](C[NH+]2CCCCC2)c2ccccc2)C1 ZINC000604179912 506739576 /nfs/dbraw/zinc/73/95/76/506739576.db2.gz WNRQPIUSSRDSGZ-PZJWPPBQSA-N 2 0 372.557 3.245 20 0 FGADRP CC[C@H](C)[N@H+](C)CCNC(=O)N[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000604189275 506743006 /nfs/dbraw/zinc/74/30/06/506743006.db2.gz XNQVDVMIHDWUHH-ICSRJNTNSA-N 2 0 360.546 3.243 20 0 FGADRP O[C@@H](C[NH2+]C1CC[NH+](C2CCCCC2)CC1)COc1cccc2[nH]ccc21 ZINC000583376479 506746144 /nfs/dbraw/zinc/74/61/44/506746144.db2.gz PLQHRVIMUNJDSR-IBGZPJMESA-N 2 0 371.525 3.294 20 0 FGADRP CCC[NH+](CCC)CCCNC(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000590354275 506802977 /nfs/dbraw/zinc/80/29/77/506802977.db2.gz PNSCDMYPPZZWAM-UHFFFAOYSA-N 2 0 352.567 3.158 20 0 FGADRP COC(=O)Cc1ccc(C[NH2+][C@@H]2CCCN(Cc3ccccc3)C2)cc1 ZINC000600188127 506830041 /nfs/dbraw/zinc/83/00/41/506830041.db2.gz VLVNJMYFWRSYTF-OAQYLSRUSA-N 2 0 352.478 3.156 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000612962689 506840119 /nfs/dbraw/zinc/84/01/19/506840119.db2.gz ISZPSSSXRDNGOZ-XLIONFOSSA-N 2 0 370.541 3.002 20 0 FGADRP CCC[N@H+](CC)C[C@H](C)NC(=O)N[C@H]1CC[NH+](Cc2ccccc2)C[C@H]1C ZINC000583597297 506868065 /nfs/dbraw/zinc/86/80/65/506868065.db2.gz CZAZMNLXPKUFPG-DYXWJJEUSA-N 2 0 374.573 3.317 20 0 FGADRP C/C(=C/c1ccccc1OC(F)F)C[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000583663066 506900923 /nfs/dbraw/zinc/90/09/23/506900923.db2.gz LRVJKPBUDWXCBQ-SQFISAMPSA-N 2 0 354.441 3.128 20 0 FGADRP CN(C)C(=O)[C@@H]([NH2+]CC1CC[NH+](Cc2cccs2)CC1)c1ccccc1 ZINC000604772843 506937488 /nfs/dbraw/zinc/93/74/88/506937488.db2.gz ZAXCTEBJDXIAOT-FQEVSTJZSA-N 2 0 371.550 3.379 20 0 FGADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)C1 ZINC000604782088 506941090 /nfs/dbraw/zinc/94/10/90/506941090.db2.gz FPXVZMWLHQCZNY-HOJAQTOUSA-N 2 0 374.573 3.488 20 0 FGADRP Cc1ccc(C)c(OC[C@H](O)C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)c1C ZINC000590786946 506957533 /nfs/dbraw/zinc/95/75/33/506957533.db2.gz ZGRCTOXXJADFJL-OAQYLSRUSA-N 2 0 362.558 3.404 20 0 FGADRP C[NH+]1CCC2(CCCN2C(=O)[C@@H]2CCC[N@H+](CCc3ccccc3)C2)CC1 ZINC000613190744 506960451 /nfs/dbraw/zinc/96/04/51/506960451.db2.gz JIZYVHLRRIDWFC-OAQYLSRUSA-N 2 0 369.553 3.028 20 0 FGADRP CC(C)[N@H+](C)CC1CC[NH+](C[C@@H](O)COCc2ccccc2Cl)CC1 ZINC000590819032 506980012 /nfs/dbraw/zinc/98/00/12/506980012.db2.gz UUZVCZBAJHVKEO-LJQANCHMSA-N 2 0 368.949 3.270 20 0 FGADRP CC[C@@H]1CCC[N@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000604998873 507026474 /nfs/dbraw/zinc/02/64/74/507026474.db2.gz JWHXQNVAQSETEL-LJQANCHMSA-N 2 0 357.542 3.411 20 0 FGADRP C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)NCc2ccccc2C[N@@H+]2CCC[C@@H](C)C2)C1 ZINC000583920677 507051201 /nfs/dbraw/zinc/05/12/01/507051201.db2.gz XNUZMVHHNUEFTQ-QWFCFKBJSA-N 2 0 372.557 3.187 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)NCC[NH+]1[C@@H](C)CCC[C@@H]1C)c1ccco1 ZINC000594296479 507069565 /nfs/dbraw/zinc/06/95/65/507069565.db2.gz RVMFUDQOEKFBNZ-OKZBNKHCSA-N 2 0 364.534 3.225 20 0 FGADRP CN(CCC[N@H+](C)Cc1ccco1)C(=O)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000584061975 507132441 /nfs/dbraw/zinc/13/24/41/507132441.db2.gz AMJJBUANNYCXNJ-FQEVSTJZSA-N 2 0 369.509 3.082 20 0 FGADRP C[C@H](CNC(=O)NCCC[N@H+](C)C1CCCCC1)[NH+](C)Cc1ccccc1 ZINC000600839462 507143724 /nfs/dbraw/zinc/14/37/24/507143724.db2.gz NRMKGGNUGVCIQW-LJQANCHMSA-N 2 0 374.573 3.461 20 0 FGADRP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000600887427 507162307 /nfs/dbraw/zinc/16/23/07/507162307.db2.gz KIOWWDJOXJGVEP-ICSRJNTNSA-N 2 0 374.573 3.489 20 0 FGADRP C[C@H](CC[S@](C)=O)[NH2+][C@@H]1CCCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000584188200 507201023 /nfs/dbraw/zinc/20/10/23/507201023.db2.gz SKUJOICQCSJSII-QVNZYJNBSA-N 2 0 362.583 3.424 20 0 FGADRP O=C(Nc1cccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)c1)c1ccccn1 ZINC000584226040 507223866 /nfs/dbraw/zinc/22/38/66/507223866.db2.gz BSXILQBSZAHARS-HSALFYBXSA-N 2 0 364.493 3.344 20 0 FGADRP COc1cc(Cl)c(C[NH2+]CC2(SC)CC[NH+](C)CC2)cc1OC ZINC000601124679 507268885 /nfs/dbraw/zinc/26/88/85/507268885.db2.gz HNTFHRRPIYVQBB-UHFFFAOYSA-N 2 0 358.935 3.274 20 0 FGADRP CC[NH+](CC)Cc1ccccc1CNC(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000591548841 507287953 /nfs/dbraw/zinc/28/79/53/507287953.db2.gz SKVKIBXPHHZYEJ-IBGZPJMESA-N 2 0 374.573 3.448 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N1CCC[C@H]1C[NH+]1CCCC1)CC(C)C ZINC000591552242 507289162 /nfs/dbraw/zinc/28/91/62/507289162.db2.gz LSBVDNMZIPZAIR-OALUTQOASA-N 2 0 352.567 3.013 20 0 FGADRP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)NCCCC[NH+]2C[C@H](C)C[C@@H](C)C2)C1 ZINC000591559094 507291375 /nfs/dbraw/zinc/29/13/75/507291375.db2.gz GZAULUWIKRKENY-AQNXPRMDSA-N 2 0 366.594 3.164 20 0 FGADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)NCCCC[NH+]2CCCC[C@H]2C)C1 ZINC000591559431 507292619 /nfs/dbraw/zinc/29/26/19/507292619.db2.gz NGGUYVFQIUUPFK-RTBURBONSA-N 2 0 352.567 3.061 20 0 FGADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)NC[C@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000584415541 507333623 /nfs/dbraw/zinc/33/36/23/507333623.db2.gz MYGFCRKKKCZFTM-GOEBONIOSA-N 2 0 353.938 3.268 20 0 FGADRP C(=C\CN1CCOc2ccccc2C1)\CN1CCOc2ccccc2C1 ZINC000614026751 507337998 /nfs/dbraw/zinc/33/79/98/507337998.db2.gz ZKGUADRMJCHTKA-WAYWQWQTSA-N 2 0 350.462 3.332 20 0 FGADRP Cc1c2cc(F)ccc2oc1C(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000601473012 507369874 /nfs/dbraw/zinc/36/98/74/507369874.db2.gz BRRMBPQNGGFLFO-KRWDZBQOSA-N 2 0 373.472 3.121 20 0 FGADRP CC[C@H]([NH2+]CC1CC[NH+](Cc2ccncc2)CC1)C1(C(=O)OC)CCC1 ZINC000595069601 507377829 /nfs/dbraw/zinc/37/78/29/507377829.db2.gz ZMFABRFEDGQZNK-IBGZPJMESA-N 2 0 359.514 3.005 20 0 FGADRP CSC1(C[NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)CC[NH+](C)CC1 ZINC000584559565 507409924 /nfs/dbraw/zinc/40/99/24/507409924.db2.gz WUCYGKZMVCHUOG-QHAWAJNXSA-N 3 0 373.610 3.314 20 0 FGADRP Cc1cccc(OC[C@H](O)C[NH2+]Cc2cccc(C[NH+]3CCCC3)c2)c1 ZINC000584585360 507426713 /nfs/dbraw/zinc/42/67/13/507426713.db2.gz AFWUDOOTPAKTNW-OAQYLSRUSA-N 2 0 354.494 3.120 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N1CCC[NH+](C2CCCC2)CC1 ZINC000606640407 507463179 /nfs/dbraw/zinc/46/31/79/507463179.db2.gz XVNFQAZEKNRLRP-LJQANCHMSA-N 2 0 364.578 3.301 20 0 FGADRP CC[NH+](CC)C[C@H](C)NC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000606659595 507472316 /nfs/dbraw/zinc/47/23/16/507472316.db2.gz OOTBDALOIJVJOW-ZJOUEHCJSA-N 2 0 374.573 3.411 20 0 FGADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)N[C@@H](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000606688838 507481178 /nfs/dbraw/zinc/48/11/78/507481178.db2.gz HIKAVAQUMFMCNP-DLBZAZTESA-N 2 0 360.546 3.145 20 0 FGADRP CC(C)(C)OC(=O)CN(Cc1ccc(-n2ccnc2)cc1)C1CCOCC1 ZINC000584784719 507502633 /nfs/dbraw/zinc/50/26/33/507502633.db2.gz SPKYSHNWHILOCO-UHFFFAOYSA-N 2 0 371.481 3.195 20 0 FGADRP Cc1nc(CC[NH2+][C@H]2CC3(CC[NH+](C)CC3)Oc3ccccc32)c(C)o1 ZINC000584815617 507519247 /nfs/dbraw/zinc/51/92/47/507519247.db2.gz JKFBBEHPZQQPDY-IBGZPJMESA-N 2 0 355.482 3.412 20 0 FGADRP CCOC(=O)c1csc(C2CC[NH+](CCCC3CC[NH2+]CC3)CC2)n1 ZINC000592495925 507679442 /nfs/dbraw/zinc/67/94/42/507679442.db2.gz XKPHIABUWFWNDA-UHFFFAOYSA-N 2 0 365.543 3.279 20 0 FGADRP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)C1 ZINC000592506013 507683921 /nfs/dbraw/zinc/68/39/21/507683921.db2.gz DBJPGUKPIGNRHG-KZNAEPCWSA-N 2 0 364.578 3.059 20 0 FGADRP C[NH+]1CCC2(CCN(C(=O)c3cccc(C[NH+]4CCCCC4)c3)C2)CC1 ZINC000614966737 507708193 /nfs/dbraw/zinc/70/81/93/507708193.db2.gz DBOLDQYNJJJVFI-UHFFFAOYSA-N 2 0 355.526 3.230 20 0 FGADRP FC(F)(F)c1ccc(NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)nc1 ZINC000498647215 515008656 /nfs/dbraw/zinc/00/86/56/515008656.db2.gz RRDSWYBMRWCMRD-UHFFFAOYSA-N 2 0 365.403 3.120 20 0 FGADRP C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000669125180 568086159 /nfs/dbraw/zinc/08/61/59/568086159.db2.gz XPKPPNZNZSNVFE-OPYAIIAOSA-N 2 0 372.557 3.330 20 0 FGADRP C[NH+](C)CCCOc1ccc(NC(=O)NC2CCC([NH+](C)C)CC2)cc1 ZINC000643260605 568424071 /nfs/dbraw/zinc/42/40/71/568424071.db2.gz MMHRMTDQHXXBCM-UHFFFAOYSA-N 2 0 362.518 3.011 20 0 FGADRP Fc1cc(-c2nn[nH]n2)ccc1C[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000826371924 607750368 /nfs/dbraw/zinc/75/03/68/607750368.db2.gz ZJZXGTIPNYLLQG-UHFFFAOYSA-N 2 0 372.492 3.094 20 0 FGADRP Brc1ccc(OCC[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cc1 ZINC000037917732 695755597 /nfs/dbraw/zinc/75/55/97/695755597.db2.gz HKYJDQZDRODDLD-YOEHRIQHSA-N 2 0 353.304 3.292 20 0 FGADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]C2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000120837949 700660988 /nfs/dbraw/zinc/66/09/88/700660988.db2.gz AWZLHKARTGRRSO-QGZVFWFLSA-N 2 0 353.551 3.344 20 0 FGADRP C[C@@H](C[NH2+][C@@H]1CCc2cc(Cl)cc(Cl)c21)CN1CC[NH+](C)CC1 ZINC000134378840 704822031 /nfs/dbraw/zinc/82/20/31/704822031.db2.gz LTKLGRURRCMPPG-SUMWQHHRSA-N 2 0 356.341 3.454 20 0 FGADRP CC(C)(C)OC(=O)N1CCC[C@@H](C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)C1 ZINC000150829557 704902926 /nfs/dbraw/zinc/90/29/26/704902926.db2.gz YDWGEHNFNRNJTN-ZWKOTPCHSA-N 2 0 351.535 3.051 20 0 FGADRP C[C@@H]([NH2+]CCS(=O)(=O)c1ccc(C(C)(C)C)cc1)C1CC[NH+](C)CC1 ZINC000156644618 705125907 /nfs/dbraw/zinc/12/59/07/705125907.db2.gz HDMUVFRIZQFEKI-MRXNPFEDSA-N 2 0 366.571 3.078 20 0 FGADRP CC(C)(C)OC(=O)N1CC[C@@H](C[NH+]2CCC(C[NH+]3CCCC3)CC2)C1 ZINC000172779341 705429392 /nfs/dbraw/zinc/42/93/92/705429392.db2.gz FEJPWGCLFIZTGB-SFHVURJKSA-N 2 0 351.535 3.051 20 0 FGADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H](C)c1cc(Br)cc(C)c1O ZINC000187289288 712738233 /nfs/dbraw/zinc/73/82/33/712738233.db2.gz UZGUOGJMOOEBBO-HIFRSBDPSA-N 2 0 373.335 3.471 20 0 FGADRP C[N@@H+]1CCCN(CCC[NH2+]Cc2ccc(Br)c(Cl)c2)CC1 ZINC000192167243 712852533 /nfs/dbraw/zinc/85/25/33/712852533.db2.gz QYZOQSJVKLXUJU-UHFFFAOYSA-N 2 0 374.754 3.220 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)NC1CC[NH+](C(C)(C)C)CC1)CC(C)C ZINC000193845359 713501855 /nfs/dbraw/zinc/50/18/55/713501855.db2.gz JIFAAZVDLLJJGB-SFHVURJKSA-N 2 0 354.583 3.305 20 0 FGADRP C[C@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000246025564 713615792 /nfs/dbraw/zinc/61/57/92/713615792.db2.gz VKWQSULGWNEMGD-LZLYRXPVSA-N 2 0 351.535 3.238 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1CCC[NH2+]C[C@@]1(C)CCN(C(=O)OC(C)(C)C)C1 ZINC000248674241 713656325 /nfs/dbraw/zinc/65/63/25/713656325.db2.gz WSNGCTCCBWLHNR-YLJYHZDGSA-N 2 0 353.551 3.488 20 0 FGADRP Brc1cccc(OCC[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000252416941 713673063 /nfs/dbraw/zinc/67/30/63/713673063.db2.gz PHMKQTVZZCYKGA-WMLDXEAASA-N 2 0 353.304 3.292 20 0 FGADRP C[C@H](C[C@@H]1CCCN1C(=O)OC(C)(C)C)[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000310591319 713799735 /nfs/dbraw/zinc/79/97/35/713799735.db2.gz GHIFSHHEEWGIGZ-BDXSIMOUSA-N 2 0 351.535 3.381 20 0 FGADRP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000322839817 713813572 /nfs/dbraw/zinc/81/35/72/713813572.db2.gz JMJXLCPMUTYTBE-AJYUKVHDSA-N 2 0 351.535 3.379 20 0 FGADRP Cc1nn2c(C[NH+]3CCC4(C[C@H]4C[N@@H+](C)C4CC4)CC3)c(C)nc2s1 ZINC000374285039 713910562 /nfs/dbraw/zinc/91/05/62/713910562.db2.gz XJUONYPGQPWREZ-HNNXBMFYSA-N 2 0 359.543 3.104 20 0 FGADRP Cc1nnc(N2CCC([NH2+]CCCC[N@H+]3C[C@H](C)C[C@H](C)C3)CC2)s1 ZINC000374717408 713940931 /nfs/dbraw/zinc/94/09/31/713940931.db2.gz MTIGOBHXUKUUIP-IYBDPMFKSA-N 2 0 365.591 3.163 20 0 FGADRP Cc1nnc(N2CCC([NH2+]CCCC[NH+]3C[C@@H](C)C[C@H](C)C3)CC2)s1 ZINC000374717402 713940933 /nfs/dbraw/zinc/94/09/33/713940933.db2.gz MTIGOBHXUKUUIP-HOTGVXAUSA-N 2 0 365.591 3.163 20 0 FGADRP C[C@@H](C[C@H]1CCCN1C(=O)OC(C)(C)C)[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000385422804 713983086 /nfs/dbraw/zinc/98/30/86/713983086.db2.gz GZUBRKAQCBXICA-DLBZAZTESA-N 2 0 353.551 3.486 20 0 FGADRP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000386553373 713985203 /nfs/dbraw/zinc/98/52/03/713985203.db2.gz HJZIVWUXYJKCIJ-XWTMOSNGSA-N 2 0 351.535 3.381 20 0 FGADRP C[C@@H]1C[N@@H+](CCCC[NH2+]Cc2cscc2Br)C[C@H](C)O1 ZINC000512037376 714128913 /nfs/dbraw/zinc/12/89/13/714128913.db2.gz GPEAFQBBNYFFFF-BETUJISGSA-N 2 0 361.349 3.490 20 0 FGADRP CCCN(CC[NH+]1CCCCCC1)C(=O)N[C@@H](C)C1CC[NH+](C)CC1 ZINC000642518368 717978119 /nfs/dbraw/zinc/97/81/19/717978119.db2.gz PKKYNEMLBPMSKM-SFHVURJKSA-N 2 0 352.567 3.014 20 0 FGADRP COc1ccc(Cl)cc1NC(=O)CC[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000643064130 718003638 /nfs/dbraw/zinc/00/36/38/718003638.db2.gz MBGCEWUTYLAMJZ-YOEHRIQHSA-N 2 0 365.905 3.141 20 0 FGADRP COc1ccc(Cl)cc1NC(=O)CC[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000643064129 718003650 /nfs/dbraw/zinc/00/36/50/718003650.db2.gz MBGCEWUTYLAMJZ-WMLDXEAASA-N 2 0 365.905 3.141 20 0 FGADRP CC[NH+]1CCC(NC(=O)C[N@@H+](Cc2cccc(Cl)c2)CC(C)C)CC1 ZINC000621388564 714987063 /nfs/dbraw/zinc/98/70/63/714987063.db2.gz AZHSNABGJMKPFM-UHFFFAOYSA-N 2 0 365.949 3.399 20 0 FGADRP O=C(CC[C@H]1CCC[NH2+]C1)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000621641442 715014190 /nfs/dbraw/zinc/01/41/90/715014190.db2.gz KAHWWOWONIVUEV-MRXNPFEDSA-N 2 0 363.933 3.200 20 0 FGADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]CCNc1ncc(C(F)(F)F)cc1Cl ZINC000643461104 718034842 /nfs/dbraw/zinc/03/48/42/718034842.db2.gz TXBRASQPJONGAZ-GWCFXTLKSA-N 2 0 350.816 3.143 20 0 FGADRP Brc1ccc2c(c1)OCCC[C@@H]2[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000643534965 718038123 /nfs/dbraw/zinc/03/81/23/718038123.db2.gz GSTUFVSAJIRFQX-HOCLYGCPSA-N 2 0 351.288 3.395 20 0 FGADRP COc1cc(OC)c(C[C@@H](C)[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)c(OC)c1 ZINC000623538600 715357016 /nfs/dbraw/zinc/35/70/16/715357016.db2.gz LDHCCTDVGSACGX-HUUCEWRRSA-N 2 0 350.503 3.106 20 0 FGADRP Cc1ccc(Br)cc1[C@@H](C)[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000623860153 715416611 /nfs/dbraw/zinc/41/66/11/715416611.db2.gz KQNFFIGBXXNUCZ-OAHLLOKOSA-N 2 0 368.363 3.434 20 0 FGADRP Cc1ccc(Br)cc1[C@H](C)[NH2+]C[C@H](C)CN1CC[NH+](C)CC1 ZINC000623886918 715424302 /nfs/dbraw/zinc/42/43/02/715424302.db2.gz OCAUOJJCTZFGGH-HOCLYGCPSA-N 2 0 368.363 3.292 20 0 FGADRP CCC[C@@H]([NH2+][C@H]1CCN(CCN2CCOCC2)C1)c1cc(C)sc1C ZINC000623895133 715426159 /nfs/dbraw/zinc/42/61/59/715426159.db2.gz JMZHHDUBADMTIK-AZUAARDMSA-N 2 0 365.587 3.202 20 0 FGADRP Cc1ccc(Br)cc1[C@H](C)[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000623902540 715427626 /nfs/dbraw/zinc/42/76/26/715427626.db2.gz KLCSCZIUDMQFQU-HNNXBMFYSA-N 2 0 368.363 3.434 20 0 FGADRP Cc1ccc(Br)cc1[C@@H](C)[NH2+][C@H](C)CCN1CC[NH+](C)CC1 ZINC000623963402 715442189 /nfs/dbraw/zinc/44/21/89/715442189.db2.gz GQUFYOWFOZIGSW-HZPDHXFCSA-N 2 0 368.363 3.434 20 0 FGADRP C[C@H]([NH2+]C[C@H]1CCCN1CC(F)F)c1cccc(OCC[NH+](C)C)c1 ZINC000624094825 715470979 /nfs/dbraw/zinc/47/09/79/715470979.db2.gz OAIWCAGEDJTMEM-DOTOQJQBSA-N 2 0 355.473 3.007 20 0 FGADRP C[C@H](O)C[NH+]1CCC(C[N@H+](C)Cc2csc(C(F)(F)F)c2)CC1 ZINC000628165066 716119174 /nfs/dbraw/zinc/11/91/74/716119174.db2.gz LLDSDLSYHOLPQW-LBPRGKRZSA-N 2 0 350.450 3.292 20 0 FGADRP C[NH2+]CCOCC[NH2+][C@@H]1c2cc(Br)ccc2SC[C@@H]1C ZINC000629529893 716303640 /nfs/dbraw/zinc/30/36/40/716303640.db2.gz PRPYARQXZRJQEX-NHYWBVRUSA-N 2 0 359.333 3.058 20 0 FGADRP C[NH2+]CCOCC[NH2+][C@H]1c2cc(Br)ccc2SC[C@H]1C ZINC000629529892 716303824 /nfs/dbraw/zinc/30/38/24/716303824.db2.gz PRPYARQXZRJQEX-IAQYHMDHSA-N 2 0 359.333 3.058 20 0 FGADRP COc1ccc(C[C@H](C)C[N@@H+]2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)cc1F ZINC000629654861 716330495 /nfs/dbraw/zinc/33/04/95/716330495.db2.gz IXWDHXPKIZKCJO-CFVMTHIKSA-N 2 0 362.411 3.472 20 0 FGADRP C[N@H+](CC(=O)NC[C@@H]1CC[NH+](C)[C@@H]1c1ccc(Cl)c(F)c1)C1CCC1 ZINC000629977541 716372815 /nfs/dbraw/zinc/37/28/15/716372815.db2.gz KREKCYXNMNSATK-IFXJQAMLSA-N 2 0 367.896 3.072 20 0 FGADRP CC1(C)C[NH2+]CC[C@H]([NH2+]C2CCN(C(=O)c3ccccc3Cl)CC2)C1 ZINC000634732990 717111546 /nfs/dbraw/zinc/11/15/46/717111546.db2.gz TXCBHGKSUMVUTC-INIZCTEOSA-N 2 0 363.933 3.312 20 0 FGADRP C[NH+](C)Cc1cccc(NC(=O)[C@@H]([NH3+])c2ccc(C(F)(F)F)cc2)c1 ZINC000638067333 717406052 /nfs/dbraw/zinc/40/60/52/717406052.db2.gz RQVNRFYGOIHRRD-INIZCTEOSA-N 2 0 351.372 3.406 20 0 FGADRP C[NH+](C)CCOc1cc(C[NH2+]Cc2cc(Cl)cc(Cl)c2N)ccn1 ZINC000638904222 717498456 /nfs/dbraw/zinc/49/84/56/717498456.db2.gz WPZUWRHSRQKHGG-UHFFFAOYSA-N 2 0 369.296 3.201 20 0 FGADRP CC(C)(O)C[NH+]1CCC([NH2+][C@@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000639358530 717548600 /nfs/dbraw/zinc/54/86/00/717548600.db2.gz LGZKIYHQYAMDPI-MSOLQXFVSA-N 2 0 370.896 3.134 20 0 FGADRP C[N@@H+]1CC[C@H](CNC(=O)CC[C@@H]2CCC[NH2+]2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000646277482 718274641 /nfs/dbraw/zinc/27/46/41/718274641.db2.gz DCMCVDVMIIPHLR-ZRGWGRIASA-N 2 0 367.896 3.120 20 0 FGADRP C[N@@H+]1CC[C@H](CNC(=O)CC[C@@H]2CCC[NH2+]2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000646277481 718274698 /nfs/dbraw/zinc/27/46/98/718274698.db2.gz DCMCVDVMIIPHLR-VCBZYWHSSA-N 2 0 367.896 3.120 20 0 FGADRP Fc1cc(Br)ccc1CCC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000647785621 718377750 /nfs/dbraw/zinc/37/77/50/718377750.db2.gz CIYJNIZYYRJYJW-IJEWVQPXSA-N 2 0 355.295 3.499 20 0 FGADRP CN1CC[C@H](C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000647793624 718377909 /nfs/dbraw/zinc/37/79/09/718377909.db2.gz CCLRBEAAAHAUGZ-XDCWJTEKSA-N 2 0 365.924 3.450 20 0 FGADRP OC[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)c1ccc(Cl)cc1C(F)(F)F ZINC000647796481 718378200 /nfs/dbraw/zinc/37/82/00/718378200.db2.gz ATLGOSPJCZJBPA-MSIPSHCFSA-N 2 0 362.823 3.370 20 0 FGADRP Brc1cccc2[nH]cc(CC[NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@H]4C3)c21 ZINC000647798866 718378543 /nfs/dbraw/zinc/37/85/43/718378543.db2.gz YLFROMBPTAXLTO-NWANDNLSSA-N 2 0 362.315 3.451 20 0 FGADRP C[C@H](NC(=O)C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1)c1ccccc1Cl ZINC000647976894 718391235 /nfs/dbraw/zinc/39/12/35/718391235.db2.gz VWOUOOFYKDMNEE-BBWFWOEESA-N 2 0 363.933 3.229 20 0 FGADRP C[C@H](NC(=O)C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1)c1ccccc1Cl ZINC000647976896 718391444 /nfs/dbraw/zinc/39/14/44/718391444.db2.gz VWOUOOFYKDMNEE-ULQDDVLXSA-N 2 0 363.933 3.229 20 0 FGADRP C[C@H](c1nc2ccccc2s1)N1CC[NH+](CCC2CC[NH2+]CC2)CC1 ZINC000649414672 718512966 /nfs/dbraw/zinc/51/29/66/718512966.db2.gz QDVSAGFMWKRZSK-MRXNPFEDSA-N 2 0 358.555 3.365 20 0 FGADRP C[C@H](c1nc2ccccc2s1)N1CC[NH+](CC[C@H]2CCC[NH2+]C2)CC1 ZINC000649414807 718512975 /nfs/dbraw/zinc/51/29/75/718512975.db2.gz ZAIGSLGZMWQSTL-IAGOWNOFSA-N 2 0 358.555 3.365 20 0 FGADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@H+](Cc3ccccc3OC(F)(F)F)C2)C1 ZINC000650707129 718717365 /nfs/dbraw/zinc/71/73/65/718717365.db2.gz YVCYYNYUYYRMHR-BFYDXBDKSA-N 2 0 358.404 3.304 20 0 FGADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@H+](Cc3cccc(OC(F)(F)F)c3)C2)C1 ZINC000650707011 718717379 /nfs/dbraw/zinc/71/73/79/718717379.db2.gz WYIDOZSKZYVYJM-INMHGKMJSA-N 2 0 358.404 3.304 20 0 FGADRP COc1ccc(C[NH2+]Cc2ccc(C[NH3+])cc2F)cc1Br ZINC000650718229 718718977 /nfs/dbraw/zinc/71/89/77/718718977.db2.gz DDJBLZLQCBIUGZ-UHFFFAOYSA-N 2 0 353.235 3.345 20 0 FGADRP COc1cc(C[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)ccc1SC ZINC000650723673 718721217 /nfs/dbraw/zinc/72/12/17/718721217.db2.gz RPFFIEOXYNZTKP-BBWFWOEESA-N 2 0 350.528 3.278 20 0 FGADRP COc1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)c(Cl)c1OC ZINC000650724083 718721231 /nfs/dbraw/zinc/72/12/31/718721231.db2.gz YCLNYJRCTANMCT-UXLLHSPISA-N 2 0 368.905 3.218 20 0 FGADRP Cn1cc(-c2ccc(C[N@@H+]3CCCC[C@@H]3[C@H]3C[C@H]([NH3+])CCO3)s2)cn1 ZINC000650725336 718721712 /nfs/dbraw/zinc/72/17/12/718721712.db2.gz YPLXBKBLMPJAPE-KBAYOESNSA-N 2 0 360.527 3.009 20 0 FGADRP CC[N@H+](CCCNC(=O)N(C)[C@@H]1CC[NH+](C(C)C)C1)C1CCCCC1 ZINC000651218229 718783663 /nfs/dbraw/zinc/78/36/63/718783663.db2.gz FRTUQMBISMGUOA-LJQANCHMSA-N 2 0 352.567 3.155 20 0 FGADRP CC[NH+]1CCN(CCCC[NH2+][C@H]2CCc3ccc(F)c(Cl)c32)CC1 ZINC000651676787 718849749 /nfs/dbraw/zinc/84/97/49/718849749.db2.gz NKWJMIIMTGSGKL-KRWDZBQOSA-N 2 0 353.913 3.474 20 0 FGADRP CC[N@H+](CCCNC(=O)N1CCC(CC[NH2+]C)CC1)C1CCCCC1 ZINC000652227976 718924515 /nfs/dbraw/zinc/92/45/15/718924515.db2.gz SBZHVFXFOHNLQU-UHFFFAOYSA-N 2 0 352.567 3.062 20 0 FGADRP Cc1oc(-c2cccs2)nc1C[N@@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652347146 718934844 /nfs/dbraw/zinc/93/48/44/718934844.db2.gz STRSJUAKJAHHOF-YQQAZPJKSA-N 2 0 361.511 3.430 20 0 FGADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@H+](Cc3cc(F)cc(Br)c3)C2)C1 ZINC000652348704 718935348 /nfs/dbraw/zinc/93/53/48/718935348.db2.gz NXCDHTVYXOISMI-XKQJLSEDSA-N 2 0 371.294 3.307 20 0 FGADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@@H+]2CCCOc2ccc(Cl)cc2)C1 ZINC000652361834 718936725 /nfs/dbraw/zinc/93/67/25/718936725.db2.gz QMVOXWXJVXBCBI-BHIYHBOVSA-N 2 0 352.906 3.470 20 0 FGADRP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000652613507 718966440 /nfs/dbraw/zinc/96/64/40/718966440.db2.gz VLWBXAHKZVXPPE-JKSUJKDBSA-N 2 0 362.543 3.089 20 0 FGADRP CC(C)(C)[C@@H](C[NH3+])NC(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000652613820 718966487 /nfs/dbraw/zinc/96/64/87/718966487.db2.gz DNKAMOABIINARY-QGZVFWFLSA-N 2 0 364.559 3.369 20 0 FGADRP C[C@H]1C[N@H+](C)[C@@H](C)CN1c1ccc2c(n1)CC[NH+](Cc1ccccc1)C2 ZINC001164631046 719181904 /nfs/dbraw/zinc/18/19/04/719181904.db2.gz ADUJXSUMFMTPGN-ROUUACIJSA-N 2 0 350.510 3.169 20 0 FGADRP Oc1cccc(C[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)c1Br ZINC000656782974 719470494 /nfs/dbraw/zinc/47/04/94/719470494.db2.gz KMZPTQSCEQFAAJ-AWEZNQCLSA-N 2 0 353.304 3.366 20 0 FGADRP C[C@H](Cc1ccc(Cl)c(C(F)(F)F)c1)[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000657846724 719720213 /nfs/dbraw/zinc/72/02/13/719720213.db2.gz QAZSOHHMJQSCSW-OCCSQVGLSA-N 2 0 364.839 3.336 20 0 FGADRP C[C@@H]([NH2+]CC1(O)CCC(F)(F)CC1)c1cccc(OCC[NH+](C)C)c1 ZINC000658322136 719785491 /nfs/dbraw/zinc/78/54/91/719785491.db2.gz DNRMUGIOHPLFHP-OAHLLOKOSA-N 2 0 356.457 3.218 20 0 FGADRP Cc1nc(C[N@@H+]2CCCC23CCN(c2ncc(C)cc2C[NH3+])CC3)cs1 ZINC001164691546 719812149 /nfs/dbraw/zinc/81/21/49/719812149.db2.gz GVMXZAJXYQNQEW-UHFFFAOYSA-N 2 0 371.554 3.249 20 0 FGADRP C[NH+](C)CCCC1CC[NH+](C[C@@H]2CCCN(C(=O)C(C)(C)C)C2)CC1 ZINC000660157165 719998480 /nfs/dbraw/zinc/99/84/80/719998480.db2.gz JAALMETZVRVMCW-IBGZPJMESA-N 2 0 351.579 3.325 20 0 FGADRP Brc1ccc(C2CC[NH+](C[C@@H]3CCC4(C[NH2+]C4)O3)CC2)cc1 ZINC000662279701 720409036 /nfs/dbraw/zinc/40/90/36/720409036.db2.gz XBYOUCDUDBGWPI-KRWDZBQOSA-N 2 0 365.315 3.150 20 0 FGADRP C[C@@H](NC(=O)C[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1)c1ccc(Cl)cc1 ZINC000662291094 720410541 /nfs/dbraw/zinc/41/05/41/720410541.db2.gz PBQQLHWEQHMAKG-CRAIPNDOSA-N 2 0 363.933 3.229 20 0 FGADRP Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)C1([NH2+]C2CC2)CCC1 ZINC000662706983 720453274 /nfs/dbraw/zinc/45/32/74/720453274.db2.gz ZNGZHOBKOLDBTL-UHFFFAOYSA-N 2 0 359.539 3.157 20 0 FGADRP [NH3+]C1(CC(=O)N(CC[NH+]2CCCC2)Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000662788966 720458291 /nfs/dbraw/zinc/45/82/91/720458291.db2.gz QWLQCLJVLBCZIF-UHFFFAOYSA-N 2 0 370.324 3.299 20 0 FGADRP C[NH2+]CCCC(=O)N1CCC([NH2+][C@H](C)c2cc3c(s2)CCCC3)CC1 ZINC000665287187 720749940 /nfs/dbraw/zinc/74/99/40/720749940.db2.gz DUKWFKITJWQYBS-OAHLLOKOSA-N 2 0 363.571 3.268 20 0 FGADRP C[NH2+]CCCC(=O)N1CCC([NH2+][C@H](C)c2sc(C(C)C)nc2C)CC1 ZINC000665287560 720750622 /nfs/dbraw/zinc/75/06/22/720750622.db2.gz OJBSBDRXYUMWGF-CQSZACIVSA-N 2 0 366.575 3.216 20 0 FGADRP CC[C@H](Cc1ccc(Cl)cc1Cl)[NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1 ZINC000665292048 720751003 /nfs/dbraw/zinc/75/10/03/720751003.db2.gz RLEDCWHMVFBQEV-GFCCVEGCSA-N 2 0 355.269 3.059 20 0 FGADRP Cc1ccsc1[C@H](Cc1ccccc1)[NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1 ZINC000665291906 720751153 /nfs/dbraw/zinc/75/11/53/720751153.db2.gz NTLSTWCSNUPPPI-INIZCTEOSA-N 2 0 354.479 3.084 20 0 FGADRP CSc1cc(Cl)ccc1NC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000667379055 721089202 /nfs/dbraw/zinc/08/92/02/721089202.db2.gz RTBQXOXCHXEOPT-UHFFFAOYSA-N 2 0 358.939 3.019 20 0 FGADRP CN(C(=O)Nc1cccc(C[NH3+])c1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000667732951 721165776 /nfs/dbraw/zinc/16/57/76/721165776.db2.gz XFUUXLWHZAGXSN-UHFFFAOYSA-N 2 0 358.408 3.026 20 0 FGADRP C[C@H](NC(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1)C1CC[NH+](C)CC1 ZINC000667826125 721179067 /nfs/dbraw/zinc/17/90/67/721179067.db2.gz YNRSSOYNLGILKC-NSHDSACASA-N 2 0 358.408 3.016 20 0 FGADRP CC(C)(C)OC(=O)N1CCC[C@@H]([NH2+]C2CC[NH+](C3CCC3)CC2)CC1 ZINC000783503576 724759158 /nfs/dbraw/zinc/75/91/58/724759158.db2.gz CVCHPDWSNRGOQZ-MRXNPFEDSA-N 2 0 351.535 3.383 20 0 FGADRP C[NH+](C)CCOc1ccc(C[NH2+][C@H](CCO)c2ccc(Cl)cc2)cc1 ZINC000673615683 721668031 /nfs/dbraw/zinc/66/80/31/721668031.db2.gz WKAHMIBBAXUOCP-HXUWFJFHSA-N 2 0 362.901 3.494 20 0 FGADRP C[C@@H]([NH2+]C1CCN(CC(F)F)CC1)c1cccc(OCC[NH+](C)C)c1 ZINC000675792239 721774643 /nfs/dbraw/zinc/77/46/43/721774643.db2.gz MHWGEFHEDUVLTD-OAHLLOKOSA-N 2 0 355.473 3.007 20 0 FGADRP C[C@H]1C[C@@H]([NH2+][C@H]2CCN(C3CC[NH+](C)CC3)C2)c2ccsc2S1 ZINC000675876617 721777429 /nfs/dbraw/zinc/77/74/29/721777429.db2.gz YDOBTTFGRVEUGA-GRDNDAEWSA-N 2 0 351.585 3.432 20 0 FGADRP C[C@H]1C[C@H]([NH2+][C@H]2CCN(C3CC[NH+](C)CC3)C2)c2ccsc2S1 ZINC000675876620 721777453 /nfs/dbraw/zinc/77/74/53/721777453.db2.gz YDOBTTFGRVEUGA-ZQIUZPCESA-N 2 0 351.585 3.432 20 0 FGADRP OC[C@H](C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)Cc1ccccc1C(F)(F)F ZINC000678600353 721966790 /nfs/dbraw/zinc/96/67/90/721966790.db2.gz MAKCRCIGWQHKJQ-XIRDDKMYSA-N 2 0 356.432 3.073 20 0 FGADRP CN(Cc1sccc1Br)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000678719903 721973647 /nfs/dbraw/zinc/97/36/47/721973647.db2.gz QXKKBMSNHAPJOI-CQSZACIVSA-N 2 0 372.376 3.111 20 0 FGADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@@H]1CCc2c1cccc2Cl ZINC000678842011 721984470 /nfs/dbraw/zinc/98/44/70/721984470.db2.gz CUDXDEKGBOIZHL-GOSISDBHSA-N 2 0 365.949 3.102 20 0 FGADRP Cc1[nH+]ccc(NCc2ccc(OCC[NH+](C)C)cc2)c1Br ZINC000683070953 722279713 /nfs/dbraw/zinc/27/97/13/722279713.db2.gz ODXADSYWABGCHP-UHFFFAOYSA-N 2 0 364.287 3.127 20 0 FGADRP C[NH+](C)C1CCC([NH2+]C[C@@]2(C)CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000715287469 722415702 /nfs/dbraw/zinc/41/57/02/722415702.db2.gz ZDXJZZKUNNPWFH-LBXVMSDZSA-N 2 0 353.551 3.486 20 0 FGADRP C[NH+](C)C1CCC([NH2+]C[C@]2(C)CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000715287474 722415716 /nfs/dbraw/zinc/41/57/16/722415716.db2.gz ZDXJZZKUNNPWFH-UHYCVJNDSA-N 2 0 353.551 3.486 20 0 FGADRP C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000715554747 722415912 /nfs/dbraw/zinc/41/59/12/722415912.db2.gz YCEGUXKHFIMCEH-CGTJXYLNSA-N 2 0 353.551 3.484 20 0 FGADRP O=C(CCCC[NH+]1CCCC1)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000729351106 722459051 /nfs/dbraw/zinc/45/90/51/722459051.db2.gz UEMSPDLHLUSISY-UHFFFAOYSA-N 2 0 363.571 3.342 20 0 FGADRP C[NH+](C)CC(C)(C)CNC(=S)NC[C@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000731492992 722475906 /nfs/dbraw/zinc/47/59/06/722475906.db2.gz SJRMODRZVDYXGW-GOSISDBHSA-N 2 0 368.635 3.083 20 0 FGADRP CC[N@@H+]1CC[C@H]([NH+](C)CC2CCN(C(=O)OC(C)(C)C)CC2)C[C@H]1C ZINC000740886325 722539004 /nfs/dbraw/zinc/53/90/04/722539004.db2.gz MDNPHMQJCYKEEU-AEFFLSMTSA-N 2 0 353.551 3.438 20 0 FGADRP C[N@H+](C[C@H](O)COc1cc(Cl)ccc1Cl)C[C@H]1CCC[NH+](C)C1 ZINC000741253402 722543926 /nfs/dbraw/zinc/54/39/26/722543926.db2.gz VUXJCFRXVURJCW-ZFWWWQNUSA-N 2 0 361.313 3.007 20 0 FGADRP CC(C)[NH2+][C@@H]1CCCN(C(=O)NCCCCCCC[NH+]2CCCC2)C1 ZINC000747957077 722669280 /nfs/dbraw/zinc/66/92/80/722669280.db2.gz RMOXHTAVUBFECF-LJQANCHMSA-N 2 0 352.567 3.205 20 0 FGADRP C[C@@H](NC(=O)OC(C)(C)C)C1CC[NH+](CC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000760840209 723097559 /nfs/dbraw/zinc/09/75/59/723097559.db2.gz GRSYRBNLYHNVAU-AEFFLSMTSA-N 2 0 353.551 3.486 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@H](O)c2ccc(Cl)cc2)[C@H](C)C1 ZINC000764747350 723442070 /nfs/dbraw/zinc/44/20/70/723442070.db2.gz HJWIQEONDUBUMR-AYOQOUSVSA-N 2 0 354.922 3.100 20 0 FGADRP Cc1cc(CC(C)(C)[NH2+]C[C@@H](O)C[NH+]2CCCC2)ccc1Br ZINC000795191346 723571438 /nfs/dbraw/zinc/57/14/38/723571438.db2.gz DJQKWBSQAMUUQF-MRXNPFEDSA-N 2 0 369.347 3.125 20 0 FGADRP CC(C)c1ncc(C[NH+]2CCC(N3CC[NH+](C(C)C)CC3)CC2)s1 ZINC000769537033 723689196 /nfs/dbraw/zinc/68/91/96/723689196.db2.gz GUSVPFIUOVOZNN-UHFFFAOYSA-N 2 0 350.576 3.257 20 0 FGADRP CC(C)(C)OC(=O)N1CC([NH+]2CCC(CCC[NH+]3CCCC3)CC2)C1 ZINC000769771465 723694726 /nfs/dbraw/zinc/69/47/26/723694726.db2.gz XZMQVUMEHYILDW-UHFFFAOYSA-N 2 0 351.535 3.194 20 0 FGADRP C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000774494687 723899698 /nfs/dbraw/zinc/89/96/98/723899698.db2.gz DYCDZLPPFFPWGU-YJBOKZPZSA-N 2 0 351.535 3.096 20 0 FGADRP CC(C)(C)OC(=O)NCCC[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000774908197 723941397 /nfs/dbraw/zinc/94/13/97/723941397.db2.gz HLMPXXCQEQQSGK-UHFFFAOYSA-N 2 0 353.551 3.489 20 0 FGADRP C[NH+]1CCC2(CCC[N@H+](C[C@@H]3CCCN3C(=O)OC(C)(C)C)C2)CC1 ZINC000798956697 723979713 /nfs/dbraw/zinc/97/97/13/723979713.db2.gz KHHQGQJZKODPFM-KRWDZBQOSA-N 2 0 351.535 3.194 20 0 FGADRP C[NH+]1CCC2(CCC[N@@H+]([C@H]3CCN(c4cccc(Cl)c4)C3=O)C2)CC1 ZINC000799177232 723995444 /nfs/dbraw/zinc/99/54/44/723995444.db2.gz MRGYYLQSUGRSAP-SFHVURJKSA-N 2 0 361.917 3.253 20 0 FGADRP C[NH+]1CCC2(CCC[N@@H+]([C@H]3CCN(c4ccc(Cl)cc4)C3=O)C2)CC1 ZINC000799176870 723995491 /nfs/dbraw/zinc/99/54/91/723995491.db2.gz DNYRBCICAGGKPZ-SFHVURJKSA-N 2 0 361.917 3.253 20 0 FGADRP CCO[C@@H]1C[C@H]([NH2+]C2CCN(C3CC[NH+](C)CC3)CC2)C1(CC)CC ZINC000776159270 724114351 /nfs/dbraw/zinc/11/43/51/724114351.db2.gz IUIQSJAAXACOLG-VQTJNVASSA-N 2 0 351.579 3.118 20 0 FGADRP C[NH+]1CCC(CC[NH2+]Cc2cnc(NC(=O)OC(C)(C)C)s2)CC1 ZINC000800233078 724169698 /nfs/dbraw/zinc/16/96/98/724169698.db2.gz PADJFWHFAGEYFX-UHFFFAOYSA-N 2 0 354.520 3.312 20 0 FGADRP C[NH+](C)CC1CC[NH+](Cc2cnc(NC(=O)OC(C)(C)C)s2)CC1 ZINC000800507112 724205011 /nfs/dbraw/zinc/20/50/11/724205011.db2.gz KSGMMBOENPEMRU-UHFFFAOYSA-N 2 0 354.520 3.264 20 0 FGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]C[C@@H](O)c2ccc(Cl)cc2)[C@@H](C)C1 ZINC000787302218 725024161 /nfs/dbraw/zinc/02/41/61/725024161.db2.gz HJWIQEONDUBUMR-KFKAGJAMSA-N 2 0 354.922 3.100 20 0 FGADRP C[C@@H]1C[C@@H](C)C[NH+](CCCC[NH2+]Cc2cnc(C3OCCO3)s2)C1 ZINC000809606292 725251850 /nfs/dbraw/zinc/25/18/50/725251850.db2.gz OUFWAZOURAGZHO-HUUCEWRRSA-N 2 0 353.532 3.036 20 0 FGADRP c1nc(C[NH2+]C2CCC([NH+]3CCCCC3)CC2)sc1C1OCCO1 ZINC000809625025 725253472 /nfs/dbraw/zinc/25/34/72/725253472.db2.gz UUFDVVCFCPRHLQ-UHFFFAOYSA-N 2 0 351.516 3.075 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1)c1ccsc1 ZINC000810115594 725289749 /nfs/dbraw/zinc/28/97/49/725289749.db2.gz LCANAGMLYKYQDB-LPHOPBHVSA-N 2 0 369.550 3.460 20 0 FGADRP CC(C)C[C@H](C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1)NC(=O)OC(C)(C)C ZINC000811468101 725367618 /nfs/dbraw/zinc/36/76/18/725367618.db2.gz ZSXNXBLDQPHHGY-KSZLIROESA-N 2 0 353.551 3.342 20 0 FGADRP CC[N@@H+]1CCC[C@H](C[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)CC[C@@H]2C)C1 ZINC000812720096 726806570 /nfs/dbraw/zinc/80/65/70/726806570.db2.gz YSMHHPPCXGAXQY-KSZLIROESA-N 2 0 353.551 3.344 20 0 FGADRP CC(C)(C)OC(=O)N1CC[NH+](C2CCC([NH2+]C3CCCC3)CC2)CC1 ZINC000812745093 726807681 /nfs/dbraw/zinc/80/76/81/726807681.db2.gz QIOYJXULCNYVJP-UHFFFAOYSA-N 2 0 351.535 3.383 20 0 FGADRP C[C@H](C[NH2+]C[C@@H](O)c1ccc(F)c(Br)c1)C[NH+]1CCCCC1 ZINC000818970592 727332293 /nfs/dbraw/zinc/33/22/93/727332293.db2.gz XCHYHHNVNBTETA-CXAGYDPISA-N 2 0 373.310 3.333 20 0 FGADRP CC[NH+]1CCC(C[NH2+]C[C@](C)(O)c2ccc(Br)cc2F)CC1 ZINC000818974112 727332986 /nfs/dbraw/zinc/33/29/86/727332986.db2.gz DVDJCEAOTVRLFX-KRWDZBQOSA-N 2 0 373.310 3.117 20 0 FGADRP C[C@@H](CC[NH2+]C[C@@H](O)c1ccc(F)c(Br)c1)[NH+]1CCCCC1 ZINC000819231250 727360192 /nfs/dbraw/zinc/36/01/92/727360192.db2.gz RRCFKNJYVCZWIB-SUMWQHHRSA-N 2 0 373.310 3.476 20 0 FGADRP C[C@@H](CC[NH2+]C[C@@H](O)c1ccccc1Br)[NH+]1CCCCC1 ZINC000819231451 727360232 /nfs/dbraw/zinc/36/02/32/727360232.db2.gz WRAVUATYIJRLIE-WMLDXEAASA-N 2 0 355.320 3.337 20 0 FGADRP O[C@H](C[NH2+]C1CC[NH+](C2CCC2)CC1)c1cccc(Br)c1 ZINC000819355256 727370757 /nfs/dbraw/zinc/37/07/57/727370757.db2.gz PWXJMBFNXWMDMC-QGZVFWFLSA-N 2 0 353.304 3.089 20 0 FGADRP C[C@@H]1C[C@H](C[NH+]2CCC(C[NH+](C)C)CC2)CCN1C(=O)OC(C)(C)C ZINC000823399829 729276339 /nfs/dbraw/zinc/27/63/39/729276339.db2.gz SUTAYJVTIAWBIW-SJLPKXTDSA-N 2 0 353.551 3.296 20 0 FGADRP C[C@@H]1C[C@H](C[N@H+](C)C[C@H]2CCC[NH+](C)C2)CCN1C(=O)OC(C)(C)C ZINC000823409283 729277386 /nfs/dbraw/zinc/27/73/86/729277386.db2.gz WVDKYUJXTDSDKH-KURKYZTESA-N 2 0 353.551 3.296 20 0 FGADRP COC(=O)N1CCC[C@@H]([NH2+]C2CC[NH+](C(C)(C)CC(C)(C)C)CC2)C1 ZINC000823756884 729303162 /nfs/dbraw/zinc/30/31/62/729303162.db2.gz DTUYQPGMKGLGKL-QGZVFWFLSA-N 2 0 353.551 3.486 20 0 FGADRP CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H]([NH2+]C2CC[NH+](CC3CC3)CC2)C1 ZINC000825262485 729376038 /nfs/dbraw/zinc/37/60/38/729376038.db2.gz IKLGMBZJLOLMAW-SJLPKXTDSA-N 2 0 351.535 3.144 20 0 FGADRP [NH3+]CCCCCCC[NH+]1CCN(C(=O)c2ccc(F)cc2Cl)CC1 ZINC000842472152 730506630 /nfs/dbraw/zinc/50/66/30/730506630.db2.gz SQFWLNGNIKVIJU-UHFFFAOYSA-N 2 0 355.885 3.146 20 0 FGADRP O=C1[C@@H]([N@@H+]2CCC3(C2)CC[NH2+]CC3)CCN1c1ccc(Cl)c(Cl)c1 ZINC000843364723 730610875 /nfs/dbraw/zinc/61/08/75/730610875.db2.gz NGRHKXUSPAMSET-INIZCTEOSA-N 2 0 368.308 3.174 20 0 FGADRP Cc1cc([C@H]([NH3+])CC(=O)N(C)CC[N@H+](C)C2CCCCC2)cc(Cl)n1 ZINC000843487705 730624214 /nfs/dbraw/zinc/62/42/14/730624214.db2.gz UECDZNNGJGHQLB-QGZVFWFLSA-N 2 0 366.937 3.156 20 0 FGADRP Cc1ccc(-n2c(Cl)c(C[NH2+]CCC3(C[NH3+])CC3)nc2N(C)C)cc1 ZINC000844903571 730787435 /nfs/dbraw/zinc/78/74/35/730787435.db2.gz GTUBBCUHDFLRSW-UHFFFAOYSA-N 2 0 361.921 3.119 20 0 FGADRP [NH2+]=C(NCc1cccc(C(F)(F)F)c1)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000849105540 731229926 /nfs/dbraw/zinc/22/99/26/731229926.db2.gz STUXDUKRCNTFTB-MRXNPFEDSA-N 2 0 354.420 3.336 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000849108035 731230110 /nfs/dbraw/zinc/23/01/10/731230110.db2.gz VDAMUGVWBCNRDT-BBRMVZONSA-N 2 0 356.436 3.407 20 0 FGADRP Cc1nn(C)c2nc(Cl)c(C[NH+]3CCC([C@H]4CCC[NH2+]C4)CC3)cc12 ZINC000849350847 731251512 /nfs/dbraw/zinc/25/15/12/731251512.db2.gz YQXLWNMQEWDVLX-HNNXBMFYSA-N 2 0 361.921 3.142 20 0 FGADRP COC[C@H](CC1CCOCC1)[NH2+]C1CC[NH+](CC2CCCCC2)CC1 ZINC000850431211 731356594 /nfs/dbraw/zinc/35/65/94/731356594.db2.gz UPYMSFZXDRKIKC-NRFANRHFSA-N 2 0 352.563 3.452 20 0 FGADRP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+]C3CCC(C(F)(F)F)CC3)cc2)C1 ZINC000850509443 731366312 /nfs/dbraw/zinc/36/63/12/731366312.db2.gz QDWGVFYNWKRZEI-DAWZGUTISA-N 2 0 356.432 3.464 20 0 FGADRP C[C@H](CC(=O)Nc1cccnc1Cl)[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000853239515 731686771 /nfs/dbraw/zinc/68/67/71/731686771.db2.gz GYOUEAAGZMEELL-ZBFHGGJFSA-N 2 0 364.921 3.164 20 0 FGADRP CCC[N@H+](C)CC(C)(C)NC(=O)NC1CCC([NH+]2CCCCC2)CC1 ZINC000853831744 731759902 /nfs/dbraw/zinc/75/99/02/731759902.db2.gz MXUPQYDJDNTKDP-UHFFFAOYSA-N 2 0 352.567 3.203 20 0 FGADRP CC(C)[NH2+]Cc1nc(-c2ccc(N3CCC[N@H+](C)CC3)c(Cl)c2)no1 ZINC000854146705 731797881 /nfs/dbraw/zinc/79/78/81/731797881.db2.gz CPYMPLKEKSBQSY-UHFFFAOYSA-N 2 0 363.893 3.030 20 0 FGADRP C[NH+](C)CCCC1CC[NH+](CCC2CN(C(=O)OC(C)(C)C)C2)CC1 ZINC000859221709 732291947 /nfs/dbraw/zinc/29/19/47/732291947.db2.gz NLKHSMQWRNJYEU-UHFFFAOYSA-N 2 0 353.551 3.297 20 0 FGADRP C[C@@H]([NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000865818555 733274874 /nfs/dbraw/zinc/27/48/74/733274874.db2.gz CEBWLRMNXCWTDO-NVXWUHKLSA-N 2 0 353.551 3.484 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCC2CC[NH+](C(C)C)CC2)[C@H](C)C1 ZINC000866467806 733353980 /nfs/dbraw/zinc/35/39/80/733353980.db2.gz QVJBHBBNAOUYNV-CTNGQTDRSA-N 3 0 353.595 3.224 20 0 FGADRP CC(C)[NH+]1CCC(CCNC(=O)NC2CCC(C)([NH+](C)C)CC2)CC1 ZINC000868947635 733666954 /nfs/dbraw/zinc/66/69/54/733666954.db2.gz AXGVGEMDEOJPIN-UHFFFAOYSA-N 2 0 352.567 3.059 20 0 FGADRP C[NH+](C)C[C@@H]1CN(C(=O)CC(C)(C)C2CCCCC2)C[C@H]1C[NH+](C)C ZINC000870018501 733801623 /nfs/dbraw/zinc/80/16/23/733801623.db2.gz BRTJZSLXCZUQJG-QZTJIDSGSA-N 2 0 351.579 3.181 20 0 FGADRP CC[C@@H](CC1CCCCC1)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870021958 733802081 /nfs/dbraw/zinc/80/20/81/733802081.db2.gz WSSICEFUMMTKRT-XUVXKRRUSA-N 2 0 351.579 3.181 20 0 FGADRP C[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CC[C@@H]([NH3+])CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000870911023 733901551 /nfs/dbraw/zinc/90/15/51/733901551.db2.gz PYUJYBWPUIILRG-CTNYNGJSSA-N 2 0 367.896 3.106 20 0 FGADRP COC[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1cccc(Br)c1 ZINC000873222807 735739665 /nfs/dbraw/zinc/73/96/65/735739665.db2.gz GDBCPEXGBXZKEH-WTTBNOFXSA-N 2 0 353.304 3.114 20 0 FGADRP O=C(c1ccccc1Cl)N1CCC([NH2+]C[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000873259353 735744381 /nfs/dbraw/zinc/74/43/81/735744381.db2.gz CPXNZNISBCAMTE-ACHSLPGTSA-N 2 0 361.917 3.065 20 0 FGADRP Brc1ccc2c(c1)CC[C@@H]2[NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873289538 735746757 /nfs/dbraw/zinc/74/67/57/735746757.db2.gz JESKYDKFLJQSNF-WBVHZDCISA-N 2 0 365.315 3.185 20 0 FGADRP Clc1ccc2c(c1)OCCC[C@H]2[NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873292541 735747122 /nfs/dbraw/zinc/74/71/22/735747122.db2.gz SXMHRDGLGLALFT-DOTOQJQBSA-N 2 0 350.890 3.302 20 0 FGADRP C[C@H]([NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2)c1ccc(Br)s1 ZINC000873290527 735747184 /nfs/dbraw/zinc/74/71/84/735747184.db2.gz RDFWQUKLSVXJPI-NWDGAFQWSA-N 2 0 359.333 3.320 20 0 FGADRP CCCC[NH+]1CCC(NC(=O)[C@@H]([NH3+])c2cccc(C(F)(F)F)c2)CC1 ZINC000876739980 736138708 /nfs/dbraw/zinc/13/87/08/736138708.db2.gz BPRPMQGUFPFXND-INIZCTEOSA-N 2 0 357.420 3.086 20 0 FGADRP CCO[P@](C)(=O)CC[C@@H](C)[NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000877625497 736695967 /nfs/dbraw/zinc/69/59/67/736695967.db2.gz ZJNNPILKSYPZQX-GSQWSPMESA-N 2 0 368.458 3.066 20 0 FGADRP OC1(CC[NH2+]Cc2ccc(Cl)nc2)CC[NH+](Cc2ccccc2)CC1 ZINC000883342945 737555894 /nfs/dbraw/zinc/55/58/94/737555894.db2.gz RYFBSRPSOAGVQF-UHFFFAOYSA-N 2 0 359.901 3.242 20 0 FGADRP CCC1([NH+]2CCC2)CCN(C(=O)NC[C@@H](c2ccsc2)[NH+](C)C)CC1 ZINC000884049549 737628198 /nfs/dbraw/zinc/62/81/98/737628198.db2.gz WHNLKDIYTGFGAU-KRWDZBQOSA-N 2 0 364.559 3.011 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)N1CCC([NH3+])(CC)CC1)c1ccsc1 ZINC000891349956 739895016 /nfs/dbraw/zinc/89/50/16/739895016.db2.gz YMMJDWXDQSYVOZ-INIZCTEOSA-N 2 0 352.548 3.044 20 0 FGADRP CC[NH+](CC)C[C@@H]1CCN(C(=O)NCCCCC[NH+]2CCCCC2)C1 ZINC000893104256 742110583 /nfs/dbraw/zinc/11/05/83/742110583.db2.gz UYUFGYDVALLQAK-IBGZPJMESA-N 2 0 352.567 3.016 20 0 FGADRP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+]C[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)C1 ZINC000893200406 742123034 /nfs/dbraw/zinc/12/30/34/742123034.db2.gz OMBFQSFNLQJMPS-OKZBNKHCSA-N 2 0 353.551 3.247 20 0 FGADRP C[C@H]1C[N@H+](Cc2cc3c(cccc3O)s2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000894076963 742235141 /nfs/dbraw/zinc/23/51/41/742235141.db2.gz REYFHSSWWLMLOM-YJBOKZPZSA-N 2 0 359.539 3.065 20 0 FGADRP C[N@H+](Cc1cc2c(cccc2O)s1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000894768987 742330464 /nfs/dbraw/zinc/33/04/64/742330464.db2.gz BRGRMLOAGFXVPK-INIZCTEOSA-N 2 0 359.539 3.207 20 0 FGADRP C[C@H](C[NH2+]C1CC[NH+](CC(C)(C)O)CC1)c1ccc(Br)cc1 ZINC000897473100 742681894 /nfs/dbraw/zinc/68/18/94/742681894.db2.gz VYTKCPXPGJLHAA-CQSZACIVSA-N 2 0 369.347 3.378 20 0 FGADRP CCc1nnc(C[NH2+][C@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)s1 ZINC000898517600 742804162 /nfs/dbraw/zinc/80/41/62/742804162.db2.gz RMICWAJGFGHJQX-SQNIBIBYSA-N 2 0 356.539 3.491 20 0 FGADRP O=C(NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)[C@@H]1CC[C@H]2CCCC[NH+]21 ZINC000900439910 743113651 /nfs/dbraw/zinc/11/36/51/743113651.db2.gz PSLUBETUXJUWTH-SCTDSRPQSA-N 2 0 361.555 3.093 20 0 FGADRP [NH3+][C@@H]1CC[C@H](C[NH+]2CCN(Cc3csc(-c4ccccc4)n3)CC2)C1 ZINC000903442072 743851905 /nfs/dbraw/zinc/85/19/05/743851905.db2.gz IHSXJSBEMLAKNR-FUHWJXTLSA-N 2 0 356.539 3.055 20 0 FGADRP c1ccc2sc([C@@H]3CCC[N@@H+](C[C@@H]4C[C@@]5(CC[NH2+]C5)CO4)C3)nc2c1 ZINC000903732988 743880114 /nfs/dbraw/zinc/88/01/14/743880114.db2.gz ITOOILFZGOODFU-GQIGUUNPSA-N 2 0 357.523 3.244 20 0 FGADRP O=C(c1ccccc1Cl)C1CC[NH+](C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)CC1 ZINC000903832962 743887011 /nfs/dbraw/zinc/88/70/11/743887011.db2.gz ULECMVQXEWDSFH-OXQOHEQNSA-N 2 0 362.901 3.003 20 0 FGADRP FC(F)Oc1ccc([C@@H]2C[N@H+](CC3C[C@H]4CC[C@@H](C3)[NH2+]4)CCO2)cc1 ZINC000903904453 743894597 /nfs/dbraw/zinc/89/45/97/743894597.db2.gz VOABSZIKUDFKDT-NZZOQPFGSA-N 2 0 352.425 3.192 20 0 FGADRP CCC[C@H]([NH2+]C[C@@H](C[NH3+])Cc1cnn(C)c1C)c1ccc(F)cc1F ZINC000903922999 743897918 /nfs/dbraw/zinc/89/79/18/743897918.db2.gz JCAWCXUCHYOJNJ-KUHUBIRLSA-N 2 0 350.457 3.255 20 0 FGADRP O[C@H](C[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)c1ccc(Cl)c(Cl)c1 ZINC000905127115 743994340 /nfs/dbraw/zinc/99/43/40/743994340.db2.gz IZGCXQMVQLFMMN-FZKQIMNGSA-N 2 0 373.324 3.117 20 0 FGADRP CSc1ccc(OC[C@H](O)C[NH2+]C2CCC(C)([NH+]3CCC3)CC2)cc1 ZINC000905600004 744035330 /nfs/dbraw/zinc/03/53/30/744035330.db2.gz FIUJCTDKWYQHGL-OHTSDLOESA-N 2 0 364.555 3.145 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=S)NC[C@@H]1CCC[N@@H+]1CC)c1ccsc1 ZINC000915126710 757883892 /nfs/dbraw/zinc/88/38/92/757883892.db2.gz LLKHGRBEYYEXJH-DLBZAZTESA-N 2 0 368.616 3.079 20 0 FGADRP COc1nsc(C[NH2+]C2CCC(C)([NH+]3CCC3)CC2)c1Br ZINC000922846810 759014687 /nfs/dbraw/zinc/01/46/87/759014687.db2.gz PAEVDAWBXXLQAE-UHFFFAOYSA-N 2 0 374.348 3.411 20 0 FGADRP Cc1nc(C[NH+]2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)sc1C(C)(C)C ZINC000923374869 759107945 /nfs/dbraw/zinc/10/79/45/759107945.db2.gz FBQZLKCWZVFZOH-NVXWUHKLSA-N 2 0 351.560 3.467 20 0 FGADRP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](C[C@@H](O)c2ccc(Cl)cc2Cl)CC1 ZINC000923374613 759108135 /nfs/dbraw/zinc/10/81/35/759108135.db2.gz BSLZMTXHTNGVOS-KZNAEPCWSA-N 2 0 373.324 3.245 20 0 FGADRP C[C@@H]1CC2(C[N@@H+]1C[C@@H](O)Cc1ccc(C(F)(F)F)cc1)CC[NH2+]CC2 ZINC000923382341 759109094 /nfs/dbraw/zinc/10/90/94/759109094.db2.gz CGEUVJZCZXVJAI-PBHICJAKSA-N 2 0 356.432 3.073 20 0 FGADRP [NH3+]CC[C@@H]1CC[N@H+](Cc2ncc(-c3ccccc3Br)o2)C1 ZINC000923483733 759129194 /nfs/dbraw/zinc/12/91/94/759129194.db2.gz QQPNLNFFEXQDEE-GFCCVEGCSA-N 2 0 350.260 3.275 20 0 FGADRP [NH3+]CC[C@@H]1CC[N@H+](Cc2coc(-c3ccc(Br)cc3)n2)C1 ZINC000923491678 759130552 /nfs/dbraw/zinc/13/05/52/759130552.db2.gz MDCLTCJQGAWFIO-GFCCVEGCSA-N 2 0 350.260 3.275 20 0 FGADRP Brc1cnc2c(c1)[C@H]([NH2+]C[C@H]1CC[N@@H+](C3CC3)C1)CCC2 ZINC000924648116 759367223 /nfs/dbraw/zinc/36/72/23/759367223.db2.gz KPZJPHXFVSFRJE-MLGOLLRUSA-N 2 0 350.304 3.295 20 0 FGADRP C[C@H]([NH2+]CC1CC[NH+](Cc2ccccc2Cl)CC1)c1cc(CO)on1 ZINC000924993995 759428899 /nfs/dbraw/zinc/42/88/99/759428899.db2.gz QZRUVRWFOMTMTN-AWEZNQCLSA-N 2 0 363.889 3.383 20 0 FGADRP CCC[C@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1ncccc1Cl ZINC000925038931 759435166 /nfs/dbraw/zinc/43/51/66/759435166.db2.gz HTCDVVMONRWYQI-QAPCUYQASA-N 2 0 350.938 3.334 20 0 FGADRP [NH3+][C@@H]1C[C@H]([NH2+]C[C@@H]2CCN(c3cccc(Br)c3)C2)C12CCC2 ZINC000925561789 759506315 /nfs/dbraw/zinc/50/63/15/759506315.db2.gz FHCPVQWDFZEWGG-XKQJLSEDSA-N 2 0 364.331 3.135 20 0 FGADRP [NH3+]CCC[C@H]([NH2+]CCS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1 ZINC000925590182 759511544 /nfs/dbraw/zinc/51/15/44/759511544.db2.gz NSMDCMVTLQOACX-SFHVURJKSA-N 2 0 366.914 3.184 20 0 FGADRP CN1CC[C@H](C[NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)[C@H]1c1ccc(Cl)c(F)c1 ZINC000925629016 759515224 /nfs/dbraw/zinc/51/52/24/759515224.db2.gz JQWDQDZVIZCURR-BVPBIZIASA-N 2 0 351.897 3.331 20 0 FGADRP C[C@H]([NH3+])[C@H](NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1)c1ccccc1 ZINC000925660764 759519655 /nfs/dbraw/zinc/51/96/55/759519655.db2.gz ANKXQHUYXBNWAK-CRZVIPCUSA-N 2 0 355.448 3.470 20 0 FGADRP C[C@H]1[C@@H](N2CCc3sc(C[NH3+])nc3C2)CCC[N@@H+]1Cc1ccccc1 ZINC000925750891 759531722 /nfs/dbraw/zinc/53/17/22/759531722.db2.gz VZJSFCSZLHRFKO-YJBOKZPZSA-N 2 0 356.539 3.013 20 0 FGADRP C(C[C@@H]1CCC2(CCOCC2)CO1)[NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925774402 759534673 /nfs/dbraw/zinc/53/46/73/759534673.db2.gz VEBQZFURCAYWFI-SLFFLAALSA-N 2 0 350.547 3.110 20 0 FGADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]Cc1cc(Br)c2ccccc2c1 ZINC000925807483 759546985 /nfs/dbraw/zinc/54/69/85/759546985.db2.gz VGYSPYCNVPLRSA-IWEFOYFVSA-N 2 0 363.299 3.444 20 0 FGADRP Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)[NH2+]CCN1CCC([NH3+])CC1 ZINC000925809969 759547574 /nfs/dbraw/zinc/54/75/74/759547574.db2.gz LXCUZDLXMMHYFP-CYBMUJFWSA-N 2 0 362.518 3.331 20 0 FGADRP CSC[C@@H]([NH2+]CCN1CCC([NH3+])CC1)c1ccc(C(F)(F)F)cc1 ZINC000925813211 759549061 /nfs/dbraw/zinc/54/90/61/759549061.db2.gz SRWAWAKZRZJYBN-MRXNPFEDSA-N 2 0 361.477 3.122 20 0 FGADRP O=C1O[C@@H](C[NH2+][C@@H]2CCSc3c(Cl)cccc32)CC12CC[NH2+]CC2 ZINC000925850579 759558529 /nfs/dbraw/zinc/55/85/29/759558529.db2.gz JPGWMIJUETZYRH-IUODEOHRSA-N 2 0 366.914 3.152 20 0 FGADRP CC(C)[C@H](CSc1ccccc1)[NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925860020 759562767 /nfs/dbraw/zinc/56/27/67/759562767.db2.gz YSJKFJQDSCVJFA-WMZOPIPTSA-N 2 0 362.539 3.078 20 0 FGADRP CC[N@@H+]1CC[C@@H]([NH+](C)C[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)C2)[C@H](C)C1 ZINC000930001832 760509097 /nfs/dbraw/zinc/50/90/97/760509097.db2.gz WZFWANIRMFOQSF-ZJPYXAASSA-N 2 0 353.551 3.342 20 0 FGADRP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]2C[NH+](C)Cc2ccc(Cl)s2)CC[N@@H+]1C ZINC000960641898 762736854 /nfs/dbraw/zinc/73/68/54/762736854.db2.gz NXCUSSZYNXITPU-IIAWOOMASA-N 2 0 369.962 3.165 20 0 FGADRP Cc1cc(C[NH2+]C2CCC(N(C)C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)cs1 ZINC000963345051 762771004 /nfs/dbraw/zinc/77/10/04/762771004.db2.gz ZYCNTNONYDRSHB-JYPHPWERSA-N 2 0 363.571 3.256 20 0 FGADRP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]([NH+](C)Cc3ccc(Cl)cc3)C2)CC[N@@H+]1C ZINC000971567618 762913731 /nfs/dbraw/zinc/91/37/31/762913731.db2.gz SBEJSEWSWFBYJV-GBESFXJTSA-N 2 0 363.933 3.103 20 0 FGADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[NH+](Cc3csc(C)c3)CC2(C)C)CC[N@@H+]1C ZINC000974598892 763034594 /nfs/dbraw/zinc/03/45/94/763034594.db2.gz KPRUEYHJOJHMFX-KSZLIROESA-N 2 0 363.571 3.113 20 0 FGADRP CC[C@@H]1[C@@H](C(=O)N(C)C2CC([NH2+]Cc3ccc(Cl)s3)C2)CC[N@@H+]1C ZINC000998795533 765125569 /nfs/dbraw/zinc/12/55/69/765125569.db2.gz YZZATWXCDTUUNW-FPCDFSMTSA-N 2 0 369.962 3.211 20 0 FGADRP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]([NH2+]Cc3sccc3Cl)C2)CC[N@@H+]1C ZINC000999203290 765147625 /nfs/dbraw/zinc/14/76/25/765147625.db2.gz ABKPLMGJLQDBFW-OFQRWUPVSA-N 2 0 369.962 3.212 20 0 FGADRP C[C@@H]1[C@H](C(=O)NCC2CC[NH+](Cc3cccc(Cl)c3)CC2)CC[N@@H+]1C ZINC001001420346 765286848 /nfs/dbraw/zinc/28/68/48/765286848.db2.gz IHEITOJOLGIXDB-DNVCBOLYSA-N 2 0 363.933 3.008 20 0 FGADRP C[C@H](c1ccc(Cl)cc1)[NH+]1CCC(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001002861096 765350187 /nfs/dbraw/zinc/35/01/87/765350187.db2.gz RYMTYHYOOIENDF-SPYBWZPUSA-N 2 0 363.933 3.322 20 0 FGADRP CC[C@@H]1[C@@H](C(=O)NC2CCC([NH2+]Cc3csc(C)c3)CC2)CC[N@@H+]1C ZINC001026497006 766074847 /nfs/dbraw/zinc/07/48/47/766074847.db2.gz GPGOYEDXXPMADM-WZOJCFFYSA-N 2 0 363.571 3.304 20 0 FGADRP C[C@@H]1[C@H](C(=O)N2CC[C@@H](C[NH+](C)Cc3sccc3Cl)C2)CC[N@@H+]1C ZINC001029741691 766150591 /nfs/dbraw/zinc/15/05/91/766150591.db2.gz AOGPCAKMCBVIGU-QLFBSQMISA-N 2 0 369.962 3.022 20 0 FGADRP C[C@@H]1[C@H](C(=O)NC2(C)CC[NH+](Cc3ccccc3Cl)CC2)CC[N@@H+]1C ZINC001045443780 766536745 /nfs/dbraw/zinc/53/67/45/766536745.db2.gz WLOAYOWVKBPVAF-NVXWUHKLSA-N 2 0 363.933 3.151 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H]2CCOC3(CCSCC3)C2)[C@H](C)C1 ZINC000536848874 503740045 /nfs/dbraw/zinc/74/00/45/503740045.db2.gz YMIRATWKUISEQZ-QYZOEREBSA-N 2 0 370.603 3.158 20 0 FGADRP CCCN(CC[NH+]1CCCC1)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C ZINC000573637237 505584150 /nfs/dbraw/zinc/58/41/50/505584150.db2.gz JWASGZKISBIVAN-TZIWHRDSSA-N 2 0 372.557 3.167 20 0 FGADRP c1ccc2c(c1)O[C@H](C[NH2+][C@H]1C[C@@]3(CC[NH2+]C3)Oc3ccccc31)CS2 ZINC000570843795 505593088 /nfs/dbraw/zinc/59/30/88/505593088.db2.gz TYSRXJGZBBOBKY-LDBYXDLTSA-N 2 0 368.502 3.385 20 0 FGADRP c1ccc2c(c1)O[C@H](C[NH2+][C@@H]1C[C@@]3(CC[NH2+]C3)Oc3ccccc31)CS2 ZINC000570843796 505593169 /nfs/dbraw/zinc/59/31/69/505593169.db2.gz TYSRXJGZBBOBKY-QLVMHMETSA-N 2 0 368.502 3.385 20 0 FGADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCCC[C@@H](N2C(=O)c3ccccc3C2=O)C1 ZINC000573674960 505593570 /nfs/dbraw/zinc/59/35/70/505593570.db2.gz RPQFOADDHUKGSZ-XLSPSMHOSA-N 2 0 369.509 3.091 20 0 FGADRP CCCC[N@H+](C)CC1CCN(C(=O)[C@@H]2CC[NH+](Cc3ccccc3)C2)CC1 ZINC000573696185 505598983 /nfs/dbraw/zinc/59/89/83/505598983.db2.gz JUYUGHZDIMZKCX-JOCHJYFZSA-N 2 0 371.569 3.479 20 0 FGADRP CC(C)OC[C@H](C)[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000570870888 505599416 /nfs/dbraw/zinc/59/94/16/505599416.db2.gz PXLXDPQQLRUHDD-FPOVZHCZSA-N 2 0 360.542 3.318 20 0 FGADRP [NH3+]CCC1CC[NH+](CCC(=O)NC(c2ccccc2)c2ccccc2)CC1 ZINC000568057069 505605529 /nfs/dbraw/zinc/60/55/29/505605529.db2.gz OBENWPUDXNJIFY-UHFFFAOYSA-N 2 0 365.521 3.343 20 0 FGADRP C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC000576918168 505623669 /nfs/dbraw/zinc/62/36/69/505623669.db2.gz QBEPFPQNFJWKKG-GOSISDBHSA-N 2 0 357.542 3.267 20 0 FGADRP C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)C[C@H](c1ncc[nH]1)c1ccccc1 ZINC000579828958 505628647 /nfs/dbraw/zinc/62/86/47/505628647.db2.gz CJBORDMMNGXAJG-ZWKOTPCHSA-N 2 0 354.498 3.168 20 0 FGADRP C[C@H]([NH2+]C[C@H]1CC[NH2+][C@H](C)C1)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000573936685 505655919 /nfs/dbraw/zinc/65/59/19/505655919.db2.gz LYZIYFFWOLUWIE-IKGGRYGDSA-N 2 0 352.482 3.373 20 0 FGADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2ccc(-c3cnn(C)c3)s2)C1 ZINC000577078966 505659984 /nfs/dbraw/zinc/65/99/84/505659984.db2.gz SOGNGTFTLRCHMQ-KRWDZBQOSA-N 2 0 362.543 3.081 20 0 FGADRP OCCCSCC[NH2+][C@@H]1CCCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000573987895 505667129 /nfs/dbraw/zinc/66/71/29/505667129.db2.gz JKAJDYUSQSXZFG-PWRODBHTSA-N 2 0 362.583 3.382 20 0 FGADRP CCC[C@H](NC(=O)[C@H](C)[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1)c1ccccc1 ZINC000571166079 505670484 /nfs/dbraw/zinc/67/04/84/505670484.db2.gz ROXLNRSMMDNSNQ-WMQCIHAUSA-N 2 0 357.542 3.354 20 0 FGADRP CSc1ccc(OC[C@@H](O)C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)cc1 ZINC000574019065 505675130 /nfs/dbraw/zinc/67/51/30/505675130.db2.gz AOAURPLYLZSQAB-SFHVURJKSA-N 2 0 366.571 3.200 20 0 FGADRP CC[NH+](CC)CC1CC[NH+](CC(=O)N(C)[C@@H](C)c2ccc(F)cc2)CC1 ZINC000047978191 493767834 /nfs/dbraw/zinc/76/78/34/493767834.db2.gz JFBLFHQGBMKOJF-KRWDZBQOSA-N 2 0 363.521 3.399 20 0 FGADRP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000577163543 505677819 /nfs/dbraw/zinc/67/78/19/505677819.db2.gz ICTCGPQWQUKDPZ-LVCYWYKZSA-N 2 0 372.557 3.472 20 0 FGADRP CC[N@H+](Cc1ccc(C(=O)Nc2cnc3c(c2)C[C@@H]([NH3+])CC3)cc1)C(C)C ZINC000571214277 505680540 /nfs/dbraw/zinc/68/05/40/505680540.db2.gz YAEHABNIJNOPOY-IBGZPJMESA-N 2 0 366.509 3.380 20 0 FGADRP O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000068556689 493840686 /nfs/dbraw/zinc/84/06/86/493840686.db2.gz GVUBJOFJVAPLSG-MOPGFXCFSA-N 2 0 374.529 3.076 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)C1CC[NH+](Cc2cccnc2)CC1)CC(C)C ZINC000081395663 493886244 /nfs/dbraw/zinc/88/62/44/493886244.db2.gz QSUVUDAJMBYKFQ-NRFANRHFSA-N 2 0 374.573 3.166 20 0 FGADRP CCC[NH+]1CCN(c2ccccc2C[NH2+]C[C@H]2CCC[C@@H](CO)C2)CC1 ZINC000571240143 505686891 /nfs/dbraw/zinc/68/68/91/505686891.db2.gz FXRNEUKMDQKBRQ-VQTJNVASSA-N 2 0 359.558 3.107 20 0 FGADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)NC[C@]2(C)CCC[NH2+]C2)cc1 ZINC000580171379 505694741 /nfs/dbraw/zinc/69/47/41/505694741.db2.gz DAZKVBODRCXTIC-PGRDOPGGSA-N 2 0 372.557 3.250 20 0 FGADRP COc1ccc(-c2nc(C[NH+]3CCC([C@H]4C[C@@H]([NH3+])CCO4)CC3)co2)cc1 ZINC000580174878 505695420 /nfs/dbraw/zinc/69/54/20/505695420.db2.gz SZYIMEQSWVHCHZ-FXAWDEMLSA-N 2 0 371.481 3.069 20 0 FGADRP C[C@H](NC(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1)C(C)(C)C[NH+](C)C ZINC000085365684 494117330 /nfs/dbraw/zinc/11/73/30/494117330.db2.gz RPWOBXRMFFYOQS-HKUYNNGSSA-N 2 0 360.546 3.099 20 0 FGADRP C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)NC[C@@]2(C)CCC[NH2+]C2)C1 ZINC000571300790 505702106 /nfs/dbraw/zinc/70/21/06/505702106.db2.gz SWTSIFYDGIYZRY-GCJKJVERSA-N 2 0 372.557 3.107 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)c1ccco1 ZINC000065481310 494203294 /nfs/dbraw/zinc/20/32/94/494203294.db2.gz NUYKLUJNSCYKRP-MRXNPFEDSA-N 2 0 364.534 3.271 20 0 FGADRP Cc1cc(Cl)cc(C[NH2+]CC2CC[NH+](CC(=O)NC(C)(C)C)CC2)c1 ZINC000568488634 505707551 /nfs/dbraw/zinc/70/75/51/505707551.db2.gz VIAHUAQBQFRJNV-UHFFFAOYSA-N 2 0 365.949 3.365 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1cccc(F)c1C ZINC000072599805 494214801 /nfs/dbraw/zinc/21/48/01/494214801.db2.gz VZSZJDNJVLNUDO-INIZCTEOSA-N 2 0 350.482 3.014 20 0 FGADRP COc1cccc(NC(=O)CC[N@@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)c1 ZINC000072635879 494222632 /nfs/dbraw/zinc/22/26/32/494222632.db2.gz RLONRFYFASGHRD-LJQANCHMSA-N 2 0 373.541 3.468 20 0 FGADRP COc1cccc(NC(=O)CC[N@@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)c1 ZINC000072635884 494222789 /nfs/dbraw/zinc/22/27/89/494222789.db2.gz RLONRFYFASGHRD-IBGZPJMESA-N 2 0 373.541 3.468 20 0 FGADRP O=C(CC[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1)Nc1cc(F)cc(F)c1 ZINC000072718370 494239235 /nfs/dbraw/zinc/23/92/35/494239235.db2.gz MLAFZUGVLXQYRZ-HNNXBMFYSA-N 2 0 351.441 3.101 20 0 FGADRP CCC[NH+]1CCN(c2ccccc2C[NH2+]C[C@@H](C)Cn2ccnc2C)CC1 ZINC000088702301 494256802 /nfs/dbraw/zinc/25/68/02/494256802.db2.gz UIVIXOBOBOOONA-LJQANCHMSA-N 2 0 369.557 3.149 20 0 FGADRP Cc1c[nH+]ccc1N1CCC(C(=O)NCCC[N@@H+](C)C2CCCCC2)CC1 ZINC000072866521 494272129 /nfs/dbraw/zinc/27/21/29/494272129.db2.gz HVJDLQVHAXLFAE-UHFFFAOYSA-N 2 0 372.557 3.377 20 0 FGADRP C[C@H]1CCCC[N@@H+]1CCNC(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000043231292 494276650 /nfs/dbraw/zinc/27/66/50/494276650.db2.gz ZPJQUTFCAUIHRI-IRXDYDNUSA-N 2 0 364.559 3.059 20 0 FGADRP CN(CC[N@H+](C)CCOc1c(Cl)cccc1Cl)C1CC[NH+](C)CC1 ZINC000089269447 494282519 /nfs/dbraw/zinc/28/25/19/494282519.db2.gz WMKBYPSWJFTGFT-UHFFFAOYSA-N 2 0 374.356 3.330 20 0 FGADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)[C@@H]1C[NH2+]Cc2ccccc21 ZINC000568506533 505711992 /nfs/dbraw/zinc/71/19/92/505711992.db2.gz ZIHLDMOIJLGHTD-OAQYLSRUSA-N 2 0 351.494 3.030 20 0 FGADRP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)NCCCC[NH+]2CCCC2)C1 ZINC000073202472 494335942 /nfs/dbraw/zinc/33/59/42/494335942.db2.gz CHHSSNKOXHKRAH-PMACEKPBSA-N 2 0 364.578 3.158 20 0 FGADRP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000078668761 494339787 /nfs/dbraw/zinc/33/97/87/494339787.db2.gz CLMDUBADRQMJOZ-SFHVURJKSA-N 2 0 360.546 3.200 20 0 FGADRP Cc1c[nH+]ccc1N1CCC(C(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)CC1 ZINC000073327695 494358648 /nfs/dbraw/zinc/35/86/48/494358648.db2.gz UCWVQBIQMAUTKF-HXUWFJFHSA-N 2 0 370.541 3.083 20 0 FGADRP Cc1c[nH+]ccc1N1CCC(C(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)CC1 ZINC000073474640 494375202 /nfs/dbraw/zinc/37/52/02/494375202.db2.gz OVGYOWYLQGBHOR-FQEVSTJZSA-N 2 0 370.541 3.083 20 0 FGADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC000066725930 494395614 /nfs/dbraw/zinc/39/56/14/494395614.db2.gz KNGNURCIKALWMS-UHFFFAOYSA-N 2 0 353.510 3.472 20 0 FGADRP O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000045186682 494404478 /nfs/dbraw/zinc/40/44/78/494404478.db2.gz FMSGXCBUGNPVOK-NHCUHLMSSA-N 2 0 370.541 3.099 20 0 FGADRP CC[NH+]1CCC(CCNC(=O)NCCC[N@H+](C)C2CCCCC2)CC1 ZINC000073660974 494409056 /nfs/dbraw/zinc/40/90/56/494409056.db2.gz AIBCHKZXQLAYLW-UHFFFAOYSA-N 2 0 352.567 3.062 20 0 FGADRP CCOc1ccccc1[C@H](C)[NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000090038533 494431307 /nfs/dbraw/zinc/43/13/07/494431307.db2.gz VXXRCWTTXXTQBC-KRWDZBQOSA-N 2 0 369.509 3.228 20 0 FGADRP CCCC[N@H+](C)CC1CC[NH+]([C@@H](C)C(=O)NCc2ccc(F)cc2)CC1 ZINC000066960791 494446036 /nfs/dbraw/zinc/44/60/36/494446036.db2.gz CZGYBNFZBFJTKT-KRWDZBQOSA-N 2 0 363.521 3.274 20 0 FGADRP CC(C)C[NH+]1CCN(C(=O)NCc2ccccc2C[N@H+](C)C(C)C)CC1 ZINC000045788875 494461924 /nfs/dbraw/zinc/46/19/24/494461924.db2.gz MGXYICPNKRKQPI-UHFFFAOYSA-N 2 0 360.546 3.010 20 0 FGADRP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](CCCSCc2ccccc2)CC1 ZINC000090529888 494479598 /nfs/dbraw/zinc/47/95/98/494479598.db2.gz YAHLDESBPZGTJQ-NRFANRHFSA-N 2 0 361.599 3.412 20 0 FGADRP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@@H](C)[NH+](C)C1CC1 ZINC000074100437 494481509 /nfs/dbraw/zinc/48/15/09/494481509.db2.gz XEMWTYFLWUBNHA-UYAOXDASSA-N 2 0 372.557 3.023 20 0 FGADRP C[NH+]1CCC(Oc2ccc(C[NH2+][C@H]3COc4ccccc4C3)cc2)CC1 ZINC000577420175 505723752 /nfs/dbraw/zinc/72/37/52/505723752.db2.gz TWRBMJXSRBSBPT-LJQANCHMSA-N 2 0 352.478 3.253 20 0 FGADRP C[NH+](C)CCOc1cc(C[NH2+][C@H]2CCSc3ccc(F)cc32)ccn1 ZINC000090937432 494504955 /nfs/dbraw/zinc/50/49/55/494504955.db2.gz OKLOLAZVPDVEFZ-KRWDZBQOSA-N 2 0 361.486 3.488 20 0 FGADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000056846140 494575766 /nfs/dbraw/zinc/57/57/66/494575766.db2.gz CJYLOZFTZWDYIX-UHFFFAOYSA-N 2 0 374.573 3.400 20 0 FGADRP CC[NH+]1CCN(CCC[NH2+][C@H]2CCc3c2cccc3Br)CC1 ZINC000091285080 494578065 /nfs/dbraw/zinc/57/80/65/494578065.db2.gz YCBCBOLEHVGIBS-SFHVURJKSA-N 2 0 366.347 3.054 20 0 FGADRP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H](c3cccnc3)C(C)C)cn2)CC1 ZINC000091286995 494578085 /nfs/dbraw/zinc/57/80/85/494578085.db2.gz NEXDIOMBHBDYAP-OAQYLSRUSA-N 2 0 353.514 3.105 20 0 FGADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC(C(=O)Nc2cc(Cl)ccc2O)CC1 ZINC000125936472 494580556 /nfs/dbraw/zinc/58/05/56/494580556.db2.gz WYZGPQQMSUBJNN-INIZCTEOSA-N 2 0 365.905 3.180 20 0 FGADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@H](c1cccc(C(F)(F)F)c1)C1CC1 ZINC000091334811 494586321 /nfs/dbraw/zinc/58/63/21/494586321.db2.gz MQNQEGPOCGLCFL-KSSFIOAISA-N 2 0 355.448 3.382 20 0 FGADRP C[C@@H]([NH2+]Cc1ccnc(N2CCCC2)c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000131361057 494594775 /nfs/dbraw/zinc/59/47/75/494594775.db2.gz FTPTYZKIFORVKX-GOSISDBHSA-N 2 0 368.525 3.473 20 0 FGADRP CC(C)CC[NH+]1CCC(CNC(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)CC1 ZINC000080146332 494612901 /nfs/dbraw/zinc/61/29/01/494612901.db2.gz HNAFFFIIYRRECZ-LJQANCHMSA-N 2 0 364.578 3.061 20 0 FGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@H](C)c2ccccc2Br)CC1 ZINC000121166617 494628269 /nfs/dbraw/zinc/62/82/69/494628269.db2.gz DLPBTJDANRXITB-JKSUJKDBSA-N 2 0 368.363 3.373 20 0 FGADRP Cc1ccc([C@H](CNC(=O)N(C)C[C@H]2CCC[N@H+](C)C2)[NH+]2CCCC2)cc1 ZINC000115813821 494629353 /nfs/dbraw/zinc/62/93/53/494629353.db2.gz APTJRHPKVSMNKG-FPOVZHCZSA-N 2 0 372.557 3.115 20 0 FGADRP CCC[NH2+][C@H](C)C(=O)NCc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000574273965 505735676 /nfs/dbraw/zinc/73/56/76/505735676.db2.gz XORNZRHSKGZYTE-QGZVFWFLSA-N 2 0 353.510 3.420 20 0 FGADRP C[NH+]1CCN(c2ccc(C(F)(F)F)cc2C[NH2+][C@@H]2CCCSC2)CC1 ZINC000131589119 494668260 /nfs/dbraw/zinc/66/82/60/494668260.db2.gz NQQUGLJBOQGCGY-MRXNPFEDSA-N 2 0 373.488 3.442 20 0 FGADRP COc1cc(C[NH+]2CCC(C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)cc(OC)c1 ZINC000092587259 494677245 /nfs/dbraw/zinc/67/72/45/494677245.db2.gz MQTVJJRPZBGHGR-IRXDYDNUSA-N 2 0 362.514 3.025 20 0 FGADRP C[C@@H]1C[NH+](CC2CC[NH+](Cc3cc(-c4ccccc4)n[nH]3)CC2)C[C@@H](C)O1 ZINC000092587604 494677914 /nfs/dbraw/zinc/67/79/14/494677914.db2.gz VLZFYSNBZRTOGO-QZTJIDSGSA-N 2 0 368.525 3.398 20 0 FGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@@H](C)c2ccc(OC(F)F)cc2)CC1 ZINC000121349326 494714392 /nfs/dbraw/zinc/71/43/92/494714392.db2.gz QNLAZHZLHQSNRT-HOTGVXAUSA-N 2 0 355.473 3.212 20 0 FGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H](C)c2cc(Cl)ccc2OC)CC1 ZINC000121355505 494717336 /nfs/dbraw/zinc/71/73/36/494717336.db2.gz NEZPEPJWFGPOBF-CVEARBPZSA-N 2 0 353.938 3.273 20 0 FGADRP C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)NC[C@@H]2CCC[NH+](C)C2)C1 ZINC000108549649 494735073 /nfs/dbraw/zinc/73/50/73/494735073.db2.gz INQNZZAAIKMCOM-MOPGFXCFSA-N 2 0 372.557 3.060 20 0 FGADRP CCC(CC)NC(=O)[C@@H](C)[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092820886 494761035 /nfs/dbraw/zinc/76/10/35/494761035.db2.gz CVMFFCWFEPCKCN-QGZVFWFLSA-N 2 0 360.546 3.313 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)NC2CC[NH+](C)CC2)C1 ZINC000047885562 494788291 /nfs/dbraw/zinc/78/82/91/494788291.db2.gz ACFRSORLNYBEON-HDICACEKSA-N 2 0 372.557 3.058 20 0 FGADRP CC(C)C[NH+]1CCN(C(=O)NC2CC[NH+]([C@H](C)c3ccccc3)CC2)CC1 ZINC000116561105 494816297 /nfs/dbraw/zinc/81/62/97/494816297.db2.gz FGEQWRHUAQUJON-LJQANCHMSA-N 2 0 372.557 3.195 20 0 FGADRP CC[NH+]1CCC(CC[NH2+][C@H](C)c2ccc(S(C)(=O)=O)c(F)c2)CC1 ZINC000121731650 494847299 /nfs/dbraw/zinc/84/72/99/494847299.db2.gz PUSUQPVACVUQER-CQSZACIVSA-N 2 0 356.507 3.002 20 0 FGADRP CC(C)[C@H](C[NH2+][C@@H](C)c1ccccc1OC(F)F)N1CC[NH+](C)CC1 ZINC000132337320 494858824 /nfs/dbraw/zinc/85/88/24/494858824.db2.gz NGHDXWCAKSFIGQ-RDJZCZTQSA-N 2 0 355.473 3.211 20 0 FGADRP CC[NH+]1CCN(CCCC[NH2+][C@@H](C)c2nc3c(s2)CCCC3)CC1 ZINC000093397603 494885304 /nfs/dbraw/zinc/88/53/04/494885304.db2.gz PKWYDDVXAPQSTB-INIZCTEOSA-N 2 0 350.576 3.090 20 0 FGADRP CCC[NH+]1CCN(c2ccccc2C[N@@H+]2CCC[C@H](COCC)C2)CC1 ZINC000093419171 494890183 /nfs/dbraw/zinc/89/01/83/494890183.db2.gz ZGHFMHLOYDRJSX-FQEVSTJZSA-N 2 0 359.558 3.467 20 0 FGADRP C[NH+](C)[C@@H](CNC(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C)c1ccccc1 ZINC000127156819 494902869 /nfs/dbraw/zinc/90/28/69/494902869.db2.gz DROYEBZQQOFWOS-VQTJNVASSA-N 2 0 372.488 3.031 20 0 FGADRP CCO[C@H](C)c1noc(CN2CCC(CCC[NH+]3CCCC3)CC2)n1 ZINC000122098455 494923207 /nfs/dbraw/zinc/92/32/07/494923207.db2.gz KHOOVNKXDRRYER-MRXNPFEDSA-N 2 0 350.507 3.255 20 0 FGADRP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@H](C)CS(=O)(=O)c1ccccc1 ZINC000122111681 494925872 /nfs/dbraw/zinc/92/58/72/494925872.db2.gz DTLQVWKNPBHGHK-GOSISDBHSA-N 2 0 374.550 3.479 20 0 FGADRP CCc1ncc(C[NH+]2CCC(CC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)s1 ZINC000093844177 494926826 /nfs/dbraw/zinc/92/68/26/494926826.db2.gz IEJNNTBGZGXSRS-HOTGVXAUSA-N 2 0 351.560 3.417 20 0 FGADRP Cc1ccc2ncc(C[NH+]3CCC(CC[N@@H+]4C[C@@H](C)O[C@@H](C)C4)CC3)n2c1 ZINC000093844487 494927490 /nfs/dbraw/zinc/92/74/90/494927490.db2.gz PSOOSKSPLOTLSN-KDURUIRLSA-N 2 0 370.541 3.354 20 0 FGADRP CC(C)C[C@@H](C[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1)N(C)C ZINC000132906905 494941448 /nfs/dbraw/zinc/94/14/48/494941448.db2.gz KCAYPYWYFDNXDC-NRFANRHFSA-N 2 0 360.590 3.283 20 0 FGADRP C[C@@H]1CCCN(CC[NH2+]Cc2ccccc2N(C)C2CC[NH+](C)CC2)C1 ZINC000133008401 494956281 /nfs/dbraw/zinc/95/62/81/494956281.db2.gz ZSISWSGCUZGSQQ-LJQANCHMSA-N 2 0 358.574 3.039 20 0 FGADRP CC[NH+]1CCN(c2ccc(C[NH2+]C[C@H](C)Cc3ccccc3)cn2)CC1 ZINC000133021290 494956771 /nfs/dbraw/zinc/95/67/71/494956771.db2.gz ROOYYVJZBKJZRK-LJQANCHMSA-N 2 0 352.526 3.192 20 0 FGADRP C[C@@H]([NH3+])c1ccc(CNC(=O)NC[C@@H](c2ccc(Cl)cc2)[NH+](C)C)cc1 ZINC000580420372 505755659 /nfs/dbraw/zinc/75/56/59/505755659.db2.gz WQSDRBVMJSZGAR-KUHUBIRLSA-N 2 0 374.916 3.462 20 0 FGADRP COc1ccc2cc([C@@H](C)[NH2+]CCC[N@@H+]3CCC[C@H](C(N)=O)C3)ccc2c1 ZINC000128200707 495060210 /nfs/dbraw/zinc/06/02/10/495060210.db2.gz JUMSDFKQGQDZTE-UZLBHIALSA-N 2 0 369.509 3.086 20 0 FGADRP C[N@@H+]1CCCN(CCC[NH2+][C@@H]2CCCOc3ccc(Cl)cc32)CC1 ZINC000128250548 495067950 /nfs/dbraw/zinc/06/79/50/495067950.db2.gz QHJCJPOXEYGTQZ-GOSISDBHSA-N 2 0 351.922 3.171 20 0 FGADRP CC[C@@H]1CN(CC[NH+]2CCCCC2)[C@H](CC)CN1CC[NH+]1CCCCC1 ZINC000119076000 495086452 /nfs/dbraw/zinc/08/64/52/495086452.db2.gz GQLKQQXKJAISCM-FGZHOGPDSA-N 2 0 364.622 3.133 20 0 FGADRP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)C[NH2+]C2CCN(C(=O)c3ccco3)CC2)C1 ZINC000134122385 495109584 /nfs/dbraw/zinc/10/95/84/495109584.db2.gz MJXRIUXJFGJTTJ-IAGOWNOFSA-N 2 0 361.530 3.230 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1CCCNC(=O)NCCCCC[NH+]1CCCCC1 ZINC000111805310 495113446 /nfs/dbraw/zinc/11/34/46/495113446.db2.gz BKEMYVHGVSORRL-LJQANCHMSA-N 2 0 352.567 3.206 20 0 FGADRP CCC[NH+]1CCC(CNC(=O)NC[C@@H](c2ccc(C)cc2)[NH+](C)C)CC1 ZINC000102005434 495114300 /nfs/dbraw/zinc/11/43/00/495114300.db2.gz FBDDQHKUHDKIBZ-FQEVSTJZSA-N 2 0 360.546 3.019 20 0 FGADRP COc1ccccc1-c1noc(CN2CCC(CCC[NH+](C)C)CC2)n1 ZINC000123333476 495115837 /nfs/dbraw/zinc/11/58/37/495115837.db2.gz RZCGREQQTPZQBU-UHFFFAOYSA-N 2 0 358.486 3.299 20 0 FGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccccc2Cn2cccn2)[C@H](C)C1 ZINC000119244016 495126025 /nfs/dbraw/zinc/12/60/25/495126025.db2.gz HJJNTYYBZGHAOD-DENIHFKCSA-N 2 0 370.541 3.158 20 0 FGADRP C[C@H](C(=O)N[C@@H](C)c1ccc(F)cc1)[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123401075 495126818 /nfs/dbraw/zinc/12/68/18/495126818.db2.gz GMPBOLXWQCHJOS-DLBZAZTESA-N 2 0 363.521 3.445 20 0 FGADRP CC[NH+](CC)Cc1cccc(CNC(=O)N[C@H](C)C(C)(C)C[NH+](C)C)c1 ZINC000119388636 495157383 /nfs/dbraw/zinc/15/73/83/495157383.db2.gz KQZFORWEXUIHTA-QGZVFWFLSA-N 2 0 362.562 3.304 20 0 FGADRP COc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000119421606 495163228 /nfs/dbraw/zinc/16/32/28/495163228.db2.gz ZGIWLDGWUXWFFY-ZIAGYGMSSA-N 2 0 365.905 3.140 20 0 FGADRP CCCC[N@H+](CC)Cc1cccc(CNC(=O)NC2CC[NH+](C)CC2)c1 ZINC000134635080 495179289 /nfs/dbraw/zinc/17/92/89/495179289.db2.gz YDFCEUVZOVTVJC-UHFFFAOYSA-N 2 0 360.546 3.202 20 0 FGADRP CCC[N@@H+]1CC[C@H](CNC(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)C1 ZINC000103236749 495207554 /nfs/dbraw/zinc/20/75/54/495207554.db2.gz XXSIUFGSVIDIMF-WOJBJXKFSA-N 2 0 364.578 3.016 20 0 FGADRP CC[NH+](CC)Cc1ccc(CNC(=O)NCCC2CC[NH+](C)CC2)cc1 ZINC000103300644 495214890 /nfs/dbraw/zinc/21/48/90/495214890.db2.gz RFOHTPWITPFHHF-UHFFFAOYSA-N 2 0 360.546 3.060 20 0 FGADRP CCC[NH+]1CCC([NH2+]C[C@@H](c2ccc(Cl)cc2)N2CCOCC2)CC1 ZINC000119779972 495239149 /nfs/dbraw/zinc/23/91/49/495239149.db2.gz SUMSRHGFAUPVIX-FQEVSTJZSA-N 2 0 365.949 3.177 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)N[C@H]2CC[NH2+][C@@H](C)C2)C1 ZINC000574425946 505770414 /nfs/dbraw/zinc/77/04/14/505770414.db2.gz DFHYRRCDSGFMDF-NYUBLWNDSA-N 2 0 372.557 3.104 20 0 FGADRP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@H]2CCCc2ccccc2)CC1 ZINC000135365879 495282914 /nfs/dbraw/zinc/28/29/14/495282914.db2.gz CPJRYSBSSJYFNP-JOCHJYFZSA-N 2 0 371.569 3.463 20 0 FGADRP C[NH+](C)Cc1ccc(C(=O)N2CCC[N@H+](CC3CCCCC3)CC2)cc1 ZINC000129728861 495287286 /nfs/dbraw/zinc/28/72/86/495287286.db2.gz NVPRWJGVCNONCM-UHFFFAOYSA-N 2 0 357.542 3.476 20 0 FGADRP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000124506351 495298981 /nfs/dbraw/zinc/29/89/81/495298981.db2.gz WWPAWKMESDBCEW-FCHUYYIVSA-N 2 0 371.569 3.383 20 0 FGADRP CC1CC[NH+](C2CCC(NC(=O)N[C@H]3CCC[C@H]([NH+](C)C)C3)CC2)CC1 ZINC000129916030 495314130 /nfs/dbraw/zinc/31/41/30/495314130.db2.gz JOSJNQXPESXWES-PCODVIEZSA-N 2 0 364.578 3.202 20 0 FGADRP CC(C)Oc1c(Cl)cccc1NC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000120144928 495315407 /nfs/dbraw/zinc/31/54/07/495315407.db2.gz DVBDHWVJFAEQGR-UHFFFAOYSA-N 2 0 370.925 3.084 20 0 FGADRP CC[N@@H+]1CCC[C@H](CNC(=O)NCc2ccccc2C[NH+]2CCCCC2)C1 ZINC000105094416 495335774 /nfs/dbraw/zinc/33/57/74/495335774.db2.gz ZJFIHNILKHIGBQ-LJQANCHMSA-N 2 0 372.557 3.204 20 0 FGADRP O=C(C[N@@H+]1CCCCC[C@H]1c1ccccc1)NC1CC[NH+](C2CC2)CC1 ZINC000120315036 495350289 /nfs/dbraw/zinc/35/02/89/495350289.db2.gz BCSJQOSIDALWFS-NRFANRHFSA-N 2 0 355.526 3.347 20 0 FGADRP C[C@H](CC(=O)NCC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)[C@H]1CCC[NH2+]C1 ZINC000574450896 505776364 /nfs/dbraw/zinc/77/63/64/505776364.db2.gz XLIJFFJEYBOTLA-CZAYHTPWSA-N 2 0 371.569 3.429 20 0 FGADRP Cc1ccc(CC[NH+]2CCC(C(=O)NCCC[NH+]3CCCCC3)CC2)cc1 ZINC000120334939 495354670 /nfs/dbraw/zinc/35/46/70/495354670.db2.gz LELVVKZLYFYPME-UHFFFAOYSA-N 2 0 371.569 3.242 20 0 FGADRP C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]CCC1CC[NH+](C)CC1 ZINC000125285349 495420285 /nfs/dbraw/zinc/42/02/85/495420285.db2.gz QSBWNUHRILGHRQ-MRXNPFEDSA-N 2 0 365.949 3.399 20 0 FGADRP C[NH+](Cc1ccccc1C[N@@H+](C)CC1(O)CCCC1)CC1(O)CCCC1 ZINC000120628722 495421814 /nfs/dbraw/zinc/42/18/14/495421814.db2.gz DNSVWUJGZLJYJO-UHFFFAOYSA-N 2 0 360.542 3.160 20 0 FGADRP C[N@H+](C[C@@H](O)CN[C@@H]1CCOc2c(-c3ccccc3)cccc21)C1CC1 ZINC000580543612 505782361 /nfs/dbraw/zinc/78/23/61/505782361.db2.gz LMFBAAUUAIOWHC-GHTZIAJQSA-N 2 0 352.478 3.222 20 0 FGADRP C[NH+](C)CC1CCC(NC(=O)NCc2cccc(C[NH+]3CCCC3)c2)CC1 ZINC000137713503 495449712 /nfs/dbraw/zinc/44/97/12/495449712.db2.gz DNNSKCUJCLAAFK-UHFFFAOYSA-N 2 0 372.557 3.202 20 0 FGADRP C[C@@H]1C[C@H]([NH2+]Cc2cn(Cc3ccccc3)nc2-c2cccnc2)CC[NH2+]1 ZINC000571651426 505783193 /nfs/dbraw/zinc/78/31/93/505783193.db2.gz SZFBNRLRCPZJDN-DYESRHJHSA-N 2 0 361.493 3.224 20 0 FGADRP C[NH+](C)CC1CCC(NC(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000138157165 495456536 /nfs/dbraw/zinc/45/65/36/495456536.db2.gz IOIPPQTVQFDTQD-CBNMVNINSA-N 2 0 372.557 3.071 20 0 FGADRP O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000106513842 495460070 /nfs/dbraw/zinc/46/00/70/495460070.db2.gz ZUBJBAJQAGEWLB-PZJWPPBQSA-N 2 0 370.541 3.140 20 0 FGADRP CC[NH+](CC)Cc1cccc(CNC(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)c1 ZINC000106528754 495462772 /nfs/dbraw/zinc/46/27/72/495462772.db2.gz PTIDKHDFSMBZHY-FQEVSTJZSA-N 2 0 372.557 3.345 20 0 FGADRP CCC[NH+]1CCC(NC(=O)NCc2ccccc2C[NH+]2CCCCC2)CC1 ZINC000107327554 495525173 /nfs/dbraw/zinc/52/51/73/495525173.db2.gz MMKSJJDEAGGVIW-UHFFFAOYSA-N 2 0 372.557 3.346 20 0 FGADRP C[C@@H](Cn1cc(Br)cn1)[NH2+]CCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000158581041 495542886 /nfs/dbraw/zinc/54/28/86/495542886.db2.gz QIKDOLVJYFHPIN-XHSDSOJGSA-N 2 0 371.367 3.382 20 0 FGADRP C[C@@H](Cn1cc(Br)cn1)[NH2+]CCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000158581340 495542997 /nfs/dbraw/zinc/54/29/97/495542997.db2.gz QIKDOLVJYFHPIN-OAGGEKHMSA-N 2 0 371.367 3.382 20 0 FGADRP CC[NH+](CC)[C@H](C(=O)N1CCC[C@H]([NH3+])C1)c1cccc(C(F)(F)F)c1 ZINC000158591559 495545251 /nfs/dbraw/zinc/54/52/51/495545251.db2.gz JAPJYBYBQNNGIY-HOTGVXAUSA-N 2 0 357.420 3.038 20 0 FGADRP CN(CC[N@H+](C)C1CC1)C(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000185386176 495558153 /nfs/dbraw/zinc/55/81/53/495558153.db2.gz MWAISZIFKOEHSA-UHFFFAOYSA-N 2 0 372.557 3.298 20 0 FGADRP C[NH+](C)Cc1c2ccccc2oc1C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000154266304 495561527 /nfs/dbraw/zinc/56/15/27/495561527.db2.gz QHWSHYALYNUSKE-YJBOKZPZSA-N 2 0 355.482 3.051 20 0 FGADRP CC[NH+]1CCN(CCC[NH2+][C@@H](C)c2ccc(SC)c(OC)c2)CC1 ZINC000154302740 495573739 /nfs/dbraw/zinc/57/37/39/495573739.db2.gz AOMYMMVJADNYCN-INIZCTEOSA-N 2 0 351.560 3.095 20 0 FGADRP CC[NH+]1CCN(CCC[NH2+][C@@H](C)c2cccc(OC(F)(F)F)c2)CC1 ZINC000154326111 495582305 /nfs/dbraw/zinc/58/23/05/495582305.db2.gz DPDINCXPDCBPMQ-HNNXBMFYSA-N 2 0 359.436 3.263 20 0 FGADRP COC[C@H]([NH2+]Cc1cccc(OCC[NH+](C)C)c1)c1ccc(F)c(F)c1 ZINC000182487854 495583074 /nfs/dbraw/zinc/58/30/74/495583074.db2.gz FGXLOCIJDCVSRN-FQEVSTJZSA-N 2 0 364.436 3.383 20 0 FGADRP CC[NH+](CC)Cc1ccccc1CNC(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000173561437 495588797 /nfs/dbraw/zinc/58/87/97/495588797.db2.gz DWXIFLWGKHIVEZ-YLJYHZDGSA-N 2 0 360.546 3.153 20 0 FGADRP C[C@H]([NH2+]CCCC[NH+]1CCN(C)CC1)c1ccc(F)cc1Br ZINC000154366645 495595015 /nfs/dbraw/zinc/59/50/15/495595015.db2.gz SRRKTAGWYVNKJM-AWEZNQCLSA-N 2 0 372.326 3.266 20 0 FGADRP C[C@H](CNC(=O)N[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)C[NH+]1CCCCC1 ZINC000182548017 495609764 /nfs/dbraw/zinc/60/97/64/495609764.db2.gz UOFSFQPHQXNTHU-GUDVDZBRSA-N 2 0 364.578 3.061 20 0 FGADRP c1nc(C2CCCCC2)sc1C[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000568853334 505793193 /nfs/dbraw/zinc/79/31/93/505793193.db2.gz GHIDIONBUIEIPU-UHFFFAOYSA-N 2 0 362.587 3.497 20 0 FGADRP CCCC[NH+]1CCC(NC(=O)N[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)CC1 ZINC000182577039 495621944 /nfs/dbraw/zinc/62/19/44/495621944.db2.gz GRZBQRBRWACTDA-MSOLQXFVSA-N 2 0 364.578 3.203 20 0 FGADRP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)NCc2ccccc2C[NH+]2CCCC2)C1 ZINC000176410774 495641212 /nfs/dbraw/zinc/64/12/12/495641212.db2.gz LQRDWWVYUXHZQA-IBGZPJMESA-N 2 0 372.557 3.060 20 0 FGADRP CC[NH+]1CCC(CNC(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)CC1 ZINC000574539665 505796579 /nfs/dbraw/zinc/79/65/79/505796579.db2.gz OBTUADICFBBZFV-FQEVSTJZSA-N 2 0 364.578 3.016 20 0 FGADRP CC(C)CC[C@](C)(O)C[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000150976732 495700236 /nfs/dbraw/zinc/70/02/36/495700236.db2.gz RAIHTGFKZXZLLF-QFIPXVFZSA-N 2 0 361.574 3.494 20 0 FGADRP C[N@@H+](Cc1csc(-c2ccc3c(c2)OCO3)n1)CC1CC[NH+](C)CC1 ZINC000154789503 495728527 /nfs/dbraw/zinc/72/85/27/495728527.db2.gz HRGYVXYEXYDGTK-UHFFFAOYSA-N 2 0 359.495 3.312 20 0 FGADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1cc(Br)ccc1Cl ZINC000185873893 495759073 /nfs/dbraw/zinc/75/90/73/495759073.db2.gz DXCKDDDUIKROGT-ZDUSSCGKSA-N 2 0 374.754 3.218 20 0 FGADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1ccc(Cl)c(C(F)(F)F)c1 ZINC000185873695 495759554 /nfs/dbraw/zinc/75/95/54/495759554.db2.gz XCVHNGIUJDBTII-ZDUSSCGKSA-N 2 0 363.855 3.474 20 0 FGADRP COc1cccc(CN2CCN(c3cc(C)nc(C(C)C)n3)CC2)c1OC ZINC000154974064 495790128 /nfs/dbraw/zinc/79/01/28/495790128.db2.gz BWBDOLUNCHUERA-UHFFFAOYSA-N 2 0 370.497 3.248 20 0 FGADRP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)[C@@H](C)[C@@H]([NH3+])c2ccccc2)CC1 ZINC000577847554 505804065 /nfs/dbraw/zinc/80/40/65/505804065.db2.gz VGSDTTQIRRXXTF-CSODHUTKSA-N 2 0 366.509 3.059 20 0 FGADRP CCCC[NH+]1CCC([NH2+]C[C@H](O)COc2ccc3ccccc3c2)CC1 ZINC000580642403 505804748 /nfs/dbraw/zinc/80/47/48/505804748.db2.gz VUVNIQOXRZTXSH-NRFANRHFSA-N 2 0 356.510 3.434 20 0 FGADRP CSC1(C[NH2+][C@@H](C)c2cccc(OCC[NH+](C)C)c2)CC[NH+](C)CC1 ZINC000580645835 505805424 /nfs/dbraw/zinc/80/54/24/505805424.db2.gz CCGAYRWRJQPMHM-KRWDZBQOSA-N 3 0 365.587 3.105 20 0 FGADRP CC(C)(C(=O)N1CC[C@H](c2ccc(F)cc2)[C@@H]([NH3+])C1)[C@@H]([NH3+])c1ccccc1 ZINC000574571561 505805746 /nfs/dbraw/zinc/80/57/46/505805746.db2.gz PVNPEQAPEDSOQN-AABGKKOBSA-N 2 0 369.484 3.195 20 0 FGADRP CC[C@H]([NH2+][C@H](C)CN1CC[NH+](C)CC1)c1ccccc1Br ZINC000155145966 495851668 /nfs/dbraw/zinc/85/16/68/495851668.db2.gz DTWGDHXXKPKKOD-PBHICJAKSA-N 2 0 354.336 3.126 20 0 FGADRP CCn1cc(C[NH2+]CCCOC2CC[NH+](Cc3ccccc3)CC2)cn1 ZINC000176984298 495870933 /nfs/dbraw/zinc/87/09/33/495870933.db2.gz IPXDNCVMFKMZDP-UHFFFAOYSA-N 2 0 356.514 3.064 20 0 FGADRP C[C@@H]([NH2+]CCCN1CCCCCC1=O)c1ccc(OCC[NH+](C)C)cc1 ZINC000155478437 495969028 /nfs/dbraw/zinc/96/90/28/495969028.db2.gz ABZHBIPEONNVEO-GOSISDBHSA-N 2 0 361.530 3.070 20 0 FGADRP CC[C@@H](c1ccc(Cl)cc1)[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000171656271 495975258 /nfs/dbraw/zinc/97/52/58/495975258.db2.gz HXSHTMJNAFVHIT-SFHVURJKSA-N 2 0 351.922 3.181 20 0 FGADRP C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]CC[C@@H]1c2ccccc2NC1=O ZINC000180391272 495978058 /nfs/dbraw/zinc/97/80/58/495978058.db2.gz JFLLEHWWXHAYBK-AHRSYUTCSA-N 2 0 364.493 3.008 20 0 FGADRP Cc1ncc([C@H](C)[NH2+]CCCN2CC[N@H+](C)C[C@@H]2c2ccccc2)c(C)n1 ZINC000151893113 495984243 /nfs/dbraw/zinc/98/42/43/495984243.db2.gz AWUNYDMIWHHNOA-HTAPYJJXSA-N 2 0 367.541 3.123 20 0 FGADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H]2CCCOc3ccc(Cl)cc32)CC1 ZINC000155571489 496000131 /nfs/dbraw/zinc/00/01/31/496000131.db2.gz ZKWBRZZSPDYBHR-QAPCUYQASA-N 2 0 351.922 3.169 20 0 FGADRP CC[C@@H]([NH2+]CCc1ccc(OCC[NH+]2CCCC2)cc1)c1nccn1C ZINC000183498807 496010347 /nfs/dbraw/zinc/01/03/47/496010347.db2.gz LYQDQKJQKPBWKU-HXUWFJFHSA-N 2 0 356.514 3.178 20 0 FGADRP CN(C)CC[NH+]1CCC(C[NH2+][C@@H](c2ccccc2)c2ccc(F)cn2)CC1 ZINC000183556058 496029115 /nfs/dbraw/zinc/02/91/15/496029115.db2.gz LQLRPHSHXJMZTM-QFIPXVFZSA-N 2 0 370.516 3.173 20 0 FGADRP CN(CC[N@H+](C)Cc1ccc(Cl)c2cccnc12)C1CC[NH+](C)CC1 ZINC000177376269 496037606 /nfs/dbraw/zinc/03/76/06/496037606.db2.gz NXDVTBKMDOCSCL-UHFFFAOYSA-N 2 0 360.933 3.346 20 0 FGADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H](C)c2nc(-c3ccccc3)cs2)CC1 ZINC000155726930 496048730 /nfs/dbraw/zinc/04/87/30/496048730.db2.gz DCKAFLKZGFHAGV-SJORKVTESA-N 2 0 358.555 3.487 20 0 FGADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1cccc(OC(F)(F)F)c1 ZINC000186576030 496053846 /nfs/dbraw/zinc/05/38/46/496053846.db2.gz FPBMNXKKFLOITR-GJZGRUSLSA-N 2 0 359.436 3.262 20 0 FGADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1cccc(OC(F)(F)F)c1 ZINC000186576043 496054062 /nfs/dbraw/zinc/05/40/62/496054062.db2.gz FPBMNXKKFLOITR-CABCVRRESA-N 2 0 359.436 3.262 20 0 FGADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@H](C)c1ccc(F)c(Br)c1 ZINC000186580554 496055494 /nfs/dbraw/zinc/05/54/94/496055494.db2.gz ZDVOMUCBEXFGEX-ZIAGYGMSSA-N 2 0 372.326 3.265 20 0 FGADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@H](C)c1cccc(Br)c1 ZINC000186604289 496068424 /nfs/dbraw/zinc/06/84/24/496068424.db2.gz PGLLMSQOMDXLQT-HUUCEWRRSA-N 2 0 354.336 3.126 20 0 FGADRP C[C@@H]1C[NH+](CCC2CC[NH+](CCCCCn3cccn3)CC2)C[C@@H](C)O1 ZINC000177489782 496083855 /nfs/dbraw/zinc/08/38/55/496083855.db2.gz CGOUIKPAVVFJNS-WOJBJXKFSA-N 2 0 362.562 3.265 20 0 FGADRP C[C@@H](CNC(=O)NC1CC[NH+](C2CCCCC2)CC1)[N@@H+]1CCC[C@H](C)C1 ZINC000177507563 496091603 /nfs/dbraw/zinc/09/16/03/496091603.db2.gz SQUPBNDXJDYLNM-ROUUACIJSA-N 2 0 364.578 3.203 20 0 FGADRP COc1ccc(CN2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)c(Br)c1 ZINC000577945345 505824325 /nfs/dbraw/zinc/82/43/25/505824325.db2.gz WQUGFPRCOMUTNC-PBHICJAKSA-N 2 0 353.304 3.374 20 0 FGADRP Cc1c([C@@H](C)NC[C@H]2CC[N@@H+](C3CC3)C2)nnn1-c1cccc(Cl)c1 ZINC000152367751 496128909 /nfs/dbraw/zinc/12/89/09/496128909.db2.gz BUBIHEYTDNNRLP-UKRRQHHQSA-N 2 0 359.905 3.364 20 0 FGADRP C[NH+]1CCN(c2ccc(C[NH2+][C@H]3CCCCc4ccccc43)cn2)CC1 ZINC000174851527 496134697 /nfs/dbraw/zinc/13/46/97/496134697.db2.gz JFYZJEONLYHNQO-NRFANRHFSA-N 2 0 350.510 3.391 20 0 FGADRP CC(C)C(C[NH+]1CCC(C(=O)NCCC[NH+]2CCCC2)CC1)C(C)C ZINC000571841800 505825582 /nfs/dbraw/zinc/82/55/82/505825582.db2.gz OCUIVWOTFOYYJG-UHFFFAOYSA-N 2 0 351.579 3.229 20 0 FGADRP CN(CC[N@H+](C)C1CC1)C(=O)c1cccc(C[NH+](C)Cc2ccccc2)c1 ZINC000186787326 496151586 /nfs/dbraw/zinc/15/15/86/496151586.db2.gz SLKLUJXPOIIGKJ-UHFFFAOYSA-N 2 0 365.521 3.485 20 0 FGADRP CCO[C@@H]1C[C@H]([NH2+]Cc2ccncc2OCC[NH+](C)C)C12CCCCC2 ZINC000574671669 505828417 /nfs/dbraw/zinc/82/84/17/505828417.db2.gz OMKQPBVLEBXBMH-VQTJNVASSA-N 2 0 361.530 3.240 20 0 FGADRP C[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CC(C)(C)c4ccccc43)cn2)CC1 ZINC000177827381 496213043 /nfs/dbraw/zinc/21/30/43/496213043.db2.gz QEDBJMOUUGXNCG-HXUWFJFHSA-N 2 0 350.510 3.346 20 0 FGADRP CC[N@H+](C)C[C@@H]1CCN(CC(=O)N(Cc2ccco2)Cc2ccccc2)C1 ZINC000177838374 496217174 /nfs/dbraw/zinc/21/71/74/496217174.db2.gz VWMOWQWSULHLGB-FQEVSTJZSA-N 2 0 369.509 3.082 20 0 FGADRP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000152735257 496240416 /nfs/dbraw/zinc/24/04/16/496240416.db2.gz VWYNYDAMCGLUAU-SOAGJPPSSA-N 2 0 364.578 3.011 20 0 FGADRP C[C@H]1C[C@H](NC(=O)CC2(C[NH3+])CCCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000184233673 496297319 /nfs/dbraw/zinc/29/73/19/496297319.db2.gz FCLZUHWALUWPDL-AZUAARDMSA-N 2 0 357.542 3.455 20 0 FGADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H](C)c2cc(Br)ccc2F)CC1 ZINC000178034292 496298039 /nfs/dbraw/zinc/29/80/39/496298039.db2.gz OZGMQNCGDWPLDW-KGLIPLIRSA-N 2 0 372.326 3.265 20 0 FGADRP CC[NH+]1CCN(Cc2ccccc2C[NH2+][C@H](C)c2cncc(C)c2)CC1 ZINC000184282412 496318989 /nfs/dbraw/zinc/31/89/89/496318989.db2.gz UEFMMBGWGPTLLI-LJQANCHMSA-N 2 0 352.526 3.378 20 0 FGADRP O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000172506959 496321632 /nfs/dbraw/zinc/32/16/32/496321632.db2.gz IBJFMDRYWSBWKA-OALUTQOASA-N 2 0 374.529 3.076 20 0 FGADRP C[NH+](C)CCCC1CCN(C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)CC1 ZINC000162275396 496327698 /nfs/dbraw/zinc/32/76/98/496327698.db2.gz HMSWNFAYSLIWDM-SFHVURJKSA-N 2 0 354.583 3.116 20 0 FGADRP COc1cc(OC)cc(OCCC[NH2+]C2CC[NH+](C(C)(C)C)CC2)c1 ZINC000181264896 496332936 /nfs/dbraw/zinc/33/29/36/496332936.db2.gz LORZCMFXKBKVGX-UHFFFAOYSA-N 2 0 350.503 3.325 20 0 FGADRP C[C@H](CC1CCCC1)[NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000156831512 496343251 /nfs/dbraw/zinc/34/32/51/496343251.db2.gz MLJTVGNEVXRXQX-UTKZUKDTSA-N 2 0 357.542 3.442 20 0 FGADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000162389595 496347073 /nfs/dbraw/zinc/34/70/73/496347073.db2.gz MEGBLNZBTIGZFW-LJQANCHMSA-N 2 0 352.567 3.014 20 0 FGADRP C[C@H]([NH2+]CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)c1ccccc1 ZINC000181345234 496360954 /nfs/dbraw/zinc/36/09/54/496360954.db2.gz FKQSGKQLZOVWGN-SFHVURJKSA-N 2 0 351.494 3.249 20 0 FGADRP CCCc1cccc(C[NH2+]Cc2ccc(C(=O)NCC[NH+](C)C)cc2)c1 ZINC000187252044 496362139 /nfs/dbraw/zinc/36/21/39/496362139.db2.gz INABQQNCWWHLLM-UHFFFAOYSA-N 2 0 353.510 3.220 20 0 FGADRP C[C@@H](Oc1ccc(Cl)cc1Cl)[C@H](C)[NH2+]CCCN1CC[NH+](C)CC1 ZINC000162526287 496368074 /nfs/dbraw/zinc/36/80/74/496368074.db2.gz XXGGMSDVUVIXRV-LSDHHAIUSA-N 2 0 374.356 3.376 20 0 FGADRP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)NCC[C@@H](C)[NH+](C)Cc2ccccc2)C1 ZINC000175465614 496403257 /nfs/dbraw/zinc/40/32/57/496403257.db2.gz FMFXOIGJDIRYQY-CTNGQTDRSA-N 2 0 374.573 3.317 20 0 FGADRP CCO[C@H]1C[C@@H]([NH2+]Cc2ccc(N3CC[NH+](C)CC3)nc2)C12CCCCC2 ZINC000181456287 496404180 /nfs/dbraw/zinc/40/41/80/496404180.db2.gz MTFJEAYIANZNAN-UXHICEINSA-N 2 0 372.557 3.051 20 0 FGADRP CN(C)[C@@H](CNC(=O)NCc1ccn2ccnc2c1)c1ccccc1Cl ZINC000178403679 496443142 /nfs/dbraw/zinc/44/31/42/496443142.db2.gz XERLAXQMPQFWDX-KRWDZBQOSA-N 2 0 371.872 3.090 20 0 FGADRP CC(C)N(CC[NH+](C)C)C(=O)NCc1ccccc1C[NH+]1CCC(C)CC1 ZINC000157453155 496479727 /nfs/dbraw/zinc/47/97/27/496479727.db2.gz FUFQSOLCBINJSJ-UHFFFAOYSA-N 2 0 374.573 3.400 20 0 FGADRP C[C@@H](Cn1cc(Br)cn1)[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000157534524 496498098 /nfs/dbraw/zinc/49/80/98/496498098.db2.gz LXCCSMXMNOSPOX-AWEZNQCLSA-N 2 0 369.351 3.421 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1c(C)cc(C)cc1C ZINC000157628240 496518115 /nfs/dbraw/zinc/51/81/15/496518115.db2.gz KBPQNAKBWKUUOZ-LJQANCHMSA-N 2 0 360.546 3.492 20 0 FGADRP CC(C)(C)NC(=O)C[NH+]1CCC(C[NH2+][C@H]2CCc3cc(F)ccc32)CC1 ZINC000163492095 496522487 /nfs/dbraw/zinc/52/24/87/496522487.db2.gz OLFMMICUUBCKQU-IBGZPJMESA-N 2 0 361.505 3.029 20 0 FGADRP Cc1ccc2c(c1)[C@@H]([NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1)CC2 ZINC000163532314 496528421 /nfs/dbraw/zinc/52/84/21/496528421.db2.gz KJKPXMCYCWBVPZ-FQEVSTJZSA-N 2 0 357.542 3.199 20 0 FGADRP CC[NH+](CC)Cc1ccc(C[NH2+][C@H](C)c2ccc(-n3cnnn3)cc2)cc1 ZINC000163579881 496534382 /nfs/dbraw/zinc/53/43/82/496534382.db2.gz AWXQBAWFVYUSLA-QGZVFWFLSA-N 2 0 364.497 3.355 20 0 FGADRP COCC[N@H+](C)CCOc1cccc(C[NH2+][C@@H]2CCc3ccccc32)c1 ZINC000163629255 496540034 /nfs/dbraw/zinc/54/00/34/496540034.db2.gz MEFGTMMZEWNZNN-JOCHJYFZSA-N 2 0 354.494 3.421 20 0 FGADRP C[NH+]1CCN(c2ncccc2C[NH2+][C@@H]2CC[C@@](C)(c3ccccc3)C2)CC1 ZINC000187856243 496597198 /nfs/dbraw/zinc/59/71/98/496597198.db2.gz RNTBVNOJMTVXPB-FYYLOGMGSA-N 2 0 364.537 3.433 20 0 FGADRP C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@@H]([NH3+])Cc3ccccc3)cc2)C1 ZINC000164573560 496620660 /nfs/dbraw/zinc/62/06/60/496620660.db2.gz XSUYUZRBGBRFBJ-UWJYYQICSA-N 2 0 351.494 3.427 20 0 FGADRP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000164785535 496632191 /nfs/dbraw/zinc/63/21/91/496632191.db2.gz XTZXPNIKSMKIJS-NRFANRHFSA-N 2 0 371.569 3.383 20 0 FGADRP Cn1cc(-c2cc(C[NH+]3CCC(CCC[NH+]4CCCC4)CC3)on2)cn1 ZINC000185041318 496632592 /nfs/dbraw/zinc/63/25/92/496632592.db2.gz FVRHCZOETKQPKQ-UHFFFAOYSA-N 2 0 357.502 3.163 20 0 FGADRP CSc1ccc([C@H](C)[NH2+]Cc2ccnc(N3CC[NH+](C)CC3)c2)cc1 ZINC000173326201 496644421 /nfs/dbraw/zinc/64/44/21/496644421.db2.gz ZNXGZLWNYPRQEP-INIZCTEOSA-N 2 0 356.539 3.406 20 0 FGADRP C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000158231934 496656233 /nfs/dbraw/zinc/65/62/33/496656233.db2.gz JVSOLXFYFNBWEB-ZIAGYGMSSA-N 2 0 368.319 3.098 20 0 FGADRP COc1ccc([C@H](C)[NH2+]CCCC[NH+]2C[C@H](C)O[C@@H](C)C2)cc1OC ZINC000173359954 496658262 /nfs/dbraw/zinc/65/82/62/496658262.db2.gz MWELCNNOCPCGFV-ULQDDVLXSA-N 2 0 350.503 3.244 20 0 FGADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H]1CCc2cc(Br)ccc21 ZINC000165945797 496672917 /nfs/dbraw/zinc/67/29/17/496672917.db2.gz SKODXUIKBYXLSR-RDJZCZTQSA-N 2 0 355.320 3.383 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)C[C@@H]1CCC[NH2+]1)c1ccc(C(F)(F)F)cc1 ZINC000166245967 496680894 /nfs/dbraw/zinc/68/08/94/496680894.db2.gz PVWLLUCLLXZFMY-DLBZAZTESA-N 2 0 371.447 3.347 20 0 FGADRP CC1CC[NH+](CCCCNC(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)CC1 ZINC000179122414 496682007 /nfs/dbraw/zinc/68/20/07/496682007.db2.gz HHMWMWOJWOWXPL-LEWJYISDSA-N 2 0 372.557 3.243 20 0 FGADRP Cc1ccc([C@H](CNC(=O)C[C@H](C)C2CC[NH2+]CC2)[NH+]2CCCC2)cc1 ZINC000166329444 496683610 /nfs/dbraw/zinc/68/36/10/496683610.db2.gz RXACMQFGWZRBOB-RXVVDRJESA-N 2 0 357.542 3.274 20 0 FGADRP Cc1ccnc(N2CC[NH+](CCC(=O)Nc3ccccc3Cl)CC2)c1 ZINC000166380945 496684614 /nfs/dbraw/zinc/68/46/14/496684614.db2.gz GQZUXHHBJQPGGS-UHFFFAOYSA-N 2 0 358.873 3.194 20 0 FGADRP CC[C@H](C(=O)N1CCC([NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1)c1ccccc1 ZINC000166414700 496686872 /nfs/dbraw/zinc/68/68/72/496686872.db2.gz LRJUBHXYLGRACW-VSKRKVRLSA-N 2 0 369.553 3.388 20 0 FGADRP C[C@@H](CCNC(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)[NH+]1CCCCC1 ZINC000182161789 496692553 /nfs/dbraw/zinc/69/25/53/496692553.db2.gz WYLSDCXZSJXTIA-GBESFXJTSA-N 2 0 364.578 3.203 20 0 FGADRP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)N[C@@H](C[NH3+])c1ccc2ccccc2c1 ZINC000580882059 505860271 /nfs/dbraw/zinc/86/02/71/505860271.db2.gz JAIOHGXTFFMBHQ-SFTDATJTSA-N 2 0 368.525 3.355 20 0 FGADRP C[C@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)c1ccc2c(c1)CCC2 ZINC000158457908 496706109 /nfs/dbraw/zinc/70/61/09/496706109.db2.gz XBORYUCHTUJIHQ-KRWDZBQOSA-N 2 0 350.510 3.173 20 0 FGADRP C[C@H]([NH2+][C@@H]1CCN(c2ncccc2F)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000168150666 496708852 /nfs/dbraw/zinc/70/88/52/496708852.db2.gz LGUMUMWUXYYRHG-FUHWJXTLSA-N 2 0 372.488 3.091 20 0 FGADRP C[N@@H+]1CCC[C@@H]2C[NH+](CCC(=O)Nc3ccc(Cl)cc3F)CC[C@@H]21 ZINC000158495375 496713151 /nfs/dbraw/zinc/71/31/51/496713151.db2.gz IJROFDQZWVHDDC-DYVFJYSZSA-N 2 0 353.869 3.224 20 0 FGADRP CC1CC[NH+]([C@H](CNC(=O)N(C)CCC[NH+](C)C)c2cccs2)CC1 ZINC000185236414 496714096 /nfs/dbraw/zinc/71/40/96/496714096.db2.gz WSBHXKDFMCMQBJ-QGZVFWFLSA-N 2 0 366.575 3.114 20 0 FGADRP Cc1ccc(Cl)c(OC[C@@H](O)C[NH+]2CCC(C[NH+]3CCCC3)CC2)c1 ZINC000182243861 496718501 /nfs/dbraw/zinc/71/85/01/496718501.db2.gz DRNLIKHBTJXGRS-SFHVURJKSA-N 2 0 366.933 3.196 20 0 FGADRP C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N(C)CCC[NH+](C)C)C1 ZINC000185320361 496728634 /nfs/dbraw/zinc/72/86/34/496728634.db2.gz BUDXATVPKLEQFM-GOSISDBHSA-N 2 0 360.546 3.012 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC000246947832 496732673 /nfs/dbraw/zinc/73/26/73/496732673.db2.gz NVXVBAHMTOABGP-UYAOXDASSA-N 2 0 357.542 3.475 20 0 FGADRP C[C@@H]1Cc2ccccc2N1CC[NH2+][C@@H]1CCN(Cc2ccccn2)C[C@H]1C ZINC000246954152 496735195 /nfs/dbraw/zinc/73/51/95/496735195.db2.gz INMSCRCQBPANDG-WOIUINJBSA-N 2 0 364.537 3.333 20 0 FGADRP C[NH+](C)[C@@H]1CCCN(C(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000277339485 496740652 /nfs/dbraw/zinc/74/06/52/496740652.db2.gz SIHMXKJPACGBRV-HXUWFJFHSA-N 2 0 357.542 3.231 20 0 FGADRP C[C@H](Cn1cc(Br)cn1)[NH2+]CCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000247107387 496780433 /nfs/dbraw/zinc/78/04/33/496780433.db2.gz QIKDOLVJYFHPIN-OWCLPIDISA-N 2 0 371.367 3.382 20 0 FGADRP CC[NH+](CC)Cc1ccccc1CNC(=O)N(C)[C@H](C)C1CC[NH+](C)CC1 ZINC000273373251 496786997 /nfs/dbraw/zinc/78/69/97/496786997.db2.gz HDSNYKHHRAQHCE-GOSISDBHSA-N 2 0 374.573 3.400 20 0 FGADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](C)CC(=O)N(C)Cc2ccccc2Cl)C1 ZINC000247214088 496806515 /nfs/dbraw/zinc/80/65/15/496806515.db2.gz XEYQUTZCJKMYRF-IAGOWNOFSA-N 2 0 365.949 3.399 20 0 FGADRP C[C@@H](CNC(=O)N1CCC[N@H+](Cc2ccccc2)C[C@@H]1C)C[NH+]1CCCC1 ZINC000247325966 496835334 /nfs/dbraw/zinc/83/53/34/496835334.db2.gz XJELSTSHGXOUNL-PMACEKPBSA-N 2 0 372.557 3.024 20 0 FGADRP C[C@@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1ccc(SCC(F)(F)F)cc1 ZINC000268996085 496844359 /nfs/dbraw/zinc/84/43/59/496844359.db2.gz NSMQOCYVUHORML-CYBMUJFWSA-N 2 0 362.461 3.448 20 0 FGADRP CCC[N@H+](C)C[C@@H]1CC[NH+](C[C@@H](O)CO[C@@H]2CCCc3ccccc32)C1 ZINC000247358840 496844510 /nfs/dbraw/zinc/84/45/10/496844510.db2.gz QEELZBBKESWTFJ-CZTZKLFOSA-N 2 0 360.542 3.105 20 0 FGADRP CC[C@H](C)[N@H+](C)CCNC(=O)N(C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000247432337 496857991 /nfs/dbraw/zinc/85/79/91/496857991.db2.gz WQEBATIQTAYKMR-ZJOUEHCJSA-N 2 0 374.573 3.411 20 0 FGADRP CC[NH+]1CCN([C@@H]2CC[N@@H+]([C@H](C)c3ccc(OC(F)F)cc3)C2)CC1 ZINC000264352734 496878551 /nfs/dbraw/zinc/87/85/51/496878551.db2.gz CQTWBNMYYGNLFX-NVXWUHKLSA-N 2 0 353.457 3.061 20 0 FGADRP C[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)[C@H]([NH3+])c1ccccc1 ZINC000269258904 496906026 /nfs/dbraw/zinc/90/60/26/496906026.db2.gz LKYRCCYUMRGBNK-KSCDAYEDSA-N 2 0 365.521 3.349 20 0 FGADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+]Cc1ccc(Oc2ccc(F)cc2)cc1 ZINC000578147331 505872794 /nfs/dbraw/zinc/87/27/94/505872794.db2.gz DXHYKWJMCMOGIE-KRWDZBQOSA-N 2 0 357.473 3.344 20 0 FGADRP C[N@@H+]1CCC[C@@H]2CN([C@H]3CCCN(c4ccccc4Cl)C3=O)CC[C@@H]21 ZINC000247942630 496929843 /nfs/dbraw/zinc/92/98/43/496929843.db2.gz DEFUGEGXJBENEV-AYBZRNKSSA-N 2 0 361.917 3.252 20 0 FGADRP C[N@@H+]1CC[C@@H](NC(=O)c2cccc(C[NH+]3CCCC3)c2)[C@H]1c1ccccc1 ZINC000247980890 496937211 /nfs/dbraw/zinc/93/72/11/496937211.db2.gz HLVRCDYJWVQJQF-FGZHOGPDSA-N 2 0 363.505 3.458 20 0 FGADRP C[NH+]1CCN(c2ccc(C[NH2+][C@H]3CC[C@H](Cc4ccccc4)C3)cn2)CC1 ZINC000189028597 496983024 /nfs/dbraw/zinc/98/30/24/496983024.db2.gz UUFDVHAQTNNUPH-IRLDBZIGSA-N 2 0 364.537 3.334 20 0 FGADRP C[C@H](NC(=O)N(C)CC[C@H]1CCCC[N@@H+]1C)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000248390159 496991414 /nfs/dbraw/zinc/99/14/14/496991414.db2.gz BGRDTBAYVPUNNM-IPMKNSEASA-N 2 0 364.578 3.155 20 0 FGADRP C[NH+](C)CCC1CCN(C(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000264842134 496995744 /nfs/dbraw/zinc/99/57/44/496995744.db2.gz AWMKUTFCWAVTCS-NRFANRHFSA-N 2 0 357.542 3.089 20 0 FGADRP C[NH+](C)[C@H](CNC(=O)C[N@H+](C)[C@H]1CCc2ccccc21)c1ccccc1 ZINC000248399218 496996344 /nfs/dbraw/zinc/99/63/44/496996344.db2.gz ONKVZQHUFNCKCV-LEWJYISDSA-N 2 0 351.494 3.025 20 0 FGADRP Cc1nn(C)c(C)c1C[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000248405050 496997908 /nfs/dbraw/zinc/99/79/08/496997908.db2.gz QXGPTDTUSTVUDG-CEMLEFRQSA-N 2 0 352.526 3.427 20 0 FGADRP C[C@H](NC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248403604 496998509 /nfs/dbraw/zinc/99/85/09/496998509.db2.gz OTRNGAUXDYYQFW-YQVWRLOYSA-N 2 0 366.594 3.305 20 0 FGADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@@H](C)[C@H]2CCC[NH+](C3CCC3)C2)C1 ZINC000248407222 496999975 /nfs/dbraw/zinc/99/99/75/496999975.db2.gz UDFWIQALGNLCOQ-FHWLQOOXSA-N 2 0 364.578 3.013 20 0 FGADRP C[C@@H]1CC[N@H+](CC(=O)NCC2CC[NH+](Cc3ccccc3Cl)CC2)C1 ZINC000572056701 505879569 /nfs/dbraw/zinc/87/95/69/505879569.db2.gz YEYCXNQXGZXORL-MRXNPFEDSA-N 2 0 363.933 3.010 20 0 FGADRP CCN1CC[NH+](CCCC[NH2+][C@H](Cc2cccc(OC)c2)C2CC2)CC1 ZINC000269888009 497018682 /nfs/dbraw/zinc/01/86/82/497018682.db2.gz VDPRMMMYLQVJGA-JOCHJYFZSA-N 2 0 359.558 3.024 20 0 FGADRP C[C@@H](C[NH2+]Cc1ccc(Br)c(Cl)c1)CN1CC[NH+](C)CC1 ZINC000192167113 497021161 /nfs/dbraw/zinc/02/11/61/497021161.db2.gz GKTXOUYLDQXENR-ZDUSSCGKSA-N 2 0 374.754 3.076 20 0 FGADRP CCOC(=O)N1CC[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000248828301 497112801 /nfs/dbraw/zinc/11/28/01/497112801.db2.gz GTSPNQWSAKCTJB-WTGUMLROSA-N 2 0 357.498 3.002 20 0 FGADRP CN1CC[NH+](CC2CC[NH+](Cc3ccc(Cl)c4cccnc34)CC2)CC1 ZINC000265424215 497118170 /nfs/dbraw/zinc/11/81/70/497118170.db2.gz KFRVEIVMWUCKPT-UHFFFAOYSA-N 2 0 372.944 3.348 20 0 FGADRP CCn1nc(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)c2ccccc21 ZINC000274558630 497123752 /nfs/dbraw/zinc/12/37/52/497123752.db2.gz JTQPLTHLWYUBAV-UHFFFAOYSA-N 2 0 356.514 3.133 20 0 FGADRP Cc1nn(C)c2ncc(C[NH2+]Cc3cccc(C[N@@H+](C)C(C)C)c3)cc12 ZINC000236669367 497129518 /nfs/dbraw/zinc/12/95/18/497129518.db2.gz ALSGVSSIQQCVGX-UHFFFAOYSA-N 2 0 351.498 3.407 20 0 FGADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1ccc(OCC(F)(F)F)cc1 ZINC000274640192 497135662 /nfs/dbraw/zinc/13/56/62/497135662.db2.gz QXJSMSVOMKGGEY-HOTGVXAUSA-N 2 0 373.463 3.304 20 0 FGADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)N[C@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21 ZINC000274647501 497137509 /nfs/dbraw/zinc/13/75/09/497137509.db2.gz CFJIBCYWAREWIX-WMZOPIPTSA-N 2 0 373.541 3.258 20 0 FGADRP COc1cccc2c1CC[C@H]([NH2+][C@@H]1CCN(Cc3ccccn3)C[C@@H]1C)C2 ZINC000248943780 497138053 /nfs/dbraw/zinc/13/80/53/497138053.db2.gz AEPKDQFXPKMWIR-LQBOVUBWSA-N 2 0 365.521 3.448 20 0 FGADRP CCC[NH+]1CCN(c2ccccc2CN[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000236803997 497148563 /nfs/dbraw/zinc/14/85/63/497148563.db2.gz ADZOPEXJRWMQOZ-RTWAWAEBSA-N 2 0 358.574 3.181 20 0 FGADRP CC[NH+](CC)CCOc1ccc(NC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)cc1 ZINC000236891908 497163505 /nfs/dbraw/zinc/16/35/05/497163505.db2.gz FQOYZKVAHCACBI-UXPWSPDFSA-N 2 0 359.514 3.266 20 0 FGADRP C[C@H](CC[NH+](C)C)NC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000265704784 497164526 /nfs/dbraw/zinc/16/45/26/497164526.db2.gz AKLCGSKPTKZZNO-WSTZPKSXSA-N 2 0 360.546 3.021 20 0 FGADRP COC(=O)C1CCC([NH2+]C[C@@H]2CCCN(C)[C@@H]2c2cccs2)CC1 ZINC000249107334 497167836 /nfs/dbraw/zinc/16/78/36/497167836.db2.gz VNWVSBRZJRFMIS-OQGULXLBSA-N 2 0 350.528 3.452 20 0 FGADRP NC(=O)[C@H]1CCC[N@H+](Cc2cccc(C[NH2+][C@H]3CCC34CCCC4)c2)C1 ZINC000249108989 497167859 /nfs/dbraw/zinc/16/78/59/497167859.db2.gz QVLYGMXRCFMLEL-PMACEKPBSA-N 2 0 355.526 3.196 20 0 FGADRP COc1ccc([C@@H](CNC(=O)C[N@H+](C)[C@@H](C)C2CC2)[NH+]2CCCCC2)cc1 ZINC000249224758 497182856 /nfs/dbraw/zinc/18/28/56/497182856.db2.gz GQCPGPHIUOZYOZ-LAUBAEHRSA-N 2 0 373.541 3.069 20 0 FGADRP C[N@@H+]1CCC[C@H]2C[NH+](CCOc3cc(F)cc(Br)c3)CC[C@H]21 ZINC000249261430 497184198 /nfs/dbraw/zinc/18/41/98/497184198.db2.gz HWSSMOXJIPXPKE-SUMWQHHRSA-N 2 0 371.294 3.383 20 0 FGADRP CC[NH2+]Cc1ccccc1NC(=O)c1ccc(N2CC[NH+](CC)CC2)cc1 ZINC000237103536 497191241 /nfs/dbraw/zinc/19/12/41/497191241.db2.gz YGHQJVDVZRJYAG-UHFFFAOYSA-N 2 0 366.509 3.190 20 0 FGADRP CC(C)[NH+]1CCN(CCC[NH2+][C@@H](C)c2cccc(N3CCCC3)c2)CC1 ZINC000192790412 497214879 /nfs/dbraw/zinc/21/48/79/497214879.db2.gz FEYSQYPWBARGKD-FQEVSTJZSA-N 2 0 358.574 3.354 20 0 FGADRP C[C@@H](CC(=O)N(C)[C@H]1CCC[N@H+](Cc2ccccc2)C1)C1CC[NH2+]CC1 ZINC000237299126 497216434 /nfs/dbraw/zinc/21/64/34/497216434.db2.gz ISZUQKCLBIHTRT-RXVVDRJESA-N 2 0 357.542 3.135 20 0 FGADRP C[NH+]1CCC(C)(CNC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000275147414 497244495 /nfs/dbraw/zinc/24/44/95/497244495.db2.gz RHVJPZURYASNJF-UHFFFAOYSA-N 2 0 357.542 3.137 20 0 FGADRP C[C@H](CC(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1)C1CC[NH2+]CC1 ZINC000237600146 497261633 /nfs/dbraw/zinc/26/16/33/497261633.db2.gz HKAAOGSQNLHJSW-MSOLQXFVSA-N 2 0 357.542 3.354 20 0 FGADRP OCC[C@@H]1CCCC[NH+]1Cc1ccc(C[N@H+]2CCCC[C@H]2CCO)cc1 ZINC000250238735 497264344 /nfs/dbraw/zinc/26/43/44/497264344.db2.gz GAAMHSIVOXEZCN-VXKWHMMOSA-N 2 0 360.542 3.160 20 0 FGADRP CCN(CCC[NH+](C)C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000189872852 497275853 /nfs/dbraw/zinc/27/58/53/497275853.db2.gz PYVQPXFXAMSZML-QUCCMNQESA-N 2 0 360.546 3.023 20 0 FGADRP O=C([C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)N1CCC([NH2+]CC2CC2)CC1 ZINC000237753143 497286552 /nfs/dbraw/zinc/28/65/52/497286552.db2.gz WVKAOYFRBJDFLA-LJQANCHMSA-N 2 0 373.516 3.028 20 0 FGADRP [NH3+][C@@H](C(=O)NCc1ccccc1C[NH+]1CCCCCC1)c1ccccc1 ZINC000237828489 497298383 /nfs/dbraw/zinc/29/83/83/497298383.db2.gz LNKZMWYKQCSAKL-OAQYLSRUSA-N 2 0 351.494 3.379 20 0 FGADRP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]CCC(=O)NC1CCCC1 ZINC000189951134 497304024 /nfs/dbraw/zinc/30/40/24/497304024.db2.gz NPWWMEZTFYWNIN-QZTJIDSGSA-N 2 0 357.542 3.182 20 0 FGADRP C[C@H](NC(=O)N(C)CC1([NH+](C)C)CCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000275392068 497311204 /nfs/dbraw/zinc/31/12/04/497311204.db2.gz COSIKWBHCREUHU-AZUAARDMSA-N 2 0 372.557 3.023 20 0 FGADRP C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)CCc3ncc[nH]3)cc2)C1 ZINC000279104880 497333823 /nfs/dbraw/zinc/33/38/23/497333823.db2.gz BDABJUWPJUKOOO-IRXDYDNUSA-N 2 0 354.498 3.137 20 0 FGADRP C[C@H]1C[C@@H](C(=O)NC[C@H](c2cccc(Cl)c2)[NH+]2CCCC2)CC[N@@H+]1C ZINC000279192708 497362862 /nfs/dbraw/zinc/36/28/62/497362862.db2.gz LQWNSFHKANGLIU-VDZJLULYSA-N 2 0 363.933 3.323 20 0 FGADRP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)c1ccc(Br)cc1 ZINC000271578523 497388193 /nfs/dbraw/zinc/38/81/93/497388193.db2.gz ZYSYOCYNZILVDU-MORSLUCNSA-N 2 0 367.331 3.478 20 0 FGADRP C[N@H+](CCCNC(=O)N1CCC(C[NH+]2CCCC2)CC1)C1CCCCC1 ZINC000193528836 497404110 /nfs/dbraw/zinc/40/41/10/497404110.db2.gz ZFHOFTWTFCHOQL-UHFFFAOYSA-N 2 0 364.578 3.158 20 0 FGADRP C[C@H](NC(=O)[C@H]([NH3+])CC1CCCCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261585062 497416164 /nfs/dbraw/zinc/41/61/64/497416164.db2.gz IFYJXGGEBCJGFN-DZFGPLHGSA-N 2 0 357.542 3.311 20 0 FGADRP C[C@H](C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]([NH3+])c1ccccc1 ZINC000261573460 497416221 /nfs/dbraw/zinc/41/62/21/497416221.db2.gz APSJUSOSTPLNCI-IOMROCGXSA-N 2 0 351.494 3.055 20 0 FGADRP Cc1ccc([C@@H](CCn2cncn2)[NH2+]C2CC[NH+](CC3CC3)CC2)cc1 ZINC000275831755 497443235 /nfs/dbraw/zinc/44/32/35/497443235.db2.gz HVKPYBPGATTXAC-OAQYLSRUSA-N 2 0 353.514 3.182 20 0 FGADRP C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)N1CC[C@@](C)(C[NH3+])C1 ZINC000261802554 497454692 /nfs/dbraw/zinc/45/46/92/497454692.db2.gz VZITUONWKRYWGS-KKSFZXQISA-N 2 0 353.466 3.477 20 0 FGADRP CCC(CC)(C[NH3+])C(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000261826644 497457799 /nfs/dbraw/zinc/45/77/99/497457799.db2.gz NXAULELSMKWRPK-NRFANRHFSA-N 2 0 357.542 3.266 20 0 FGADRP CC(C)[C@H](CNC(=O)C[N@@H+]1CC[C@@H](C)[C@@H](n2ccnc2)C1)c1ccccc1 ZINC000245579412 497463848 /nfs/dbraw/zinc/46/38/48/497463848.db2.gz IKAAKSAMMZGFKU-GIVPXCGWSA-N 2 0 368.525 3.322 20 0 FGADRP C[NH2+]CCC1CC[NH+]([C@H](C)C(=O)N[C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000261977588 497486345 /nfs/dbraw/zinc/48/63/45/497486345.db2.gz GQEOVIPNVFZDNA-LSDHHAIUSA-N 2 0 351.922 3.227 20 0 FGADRP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+]CCCOC[C@H]2CCCO2)C3)cc1 ZINC000245650381 497488606 /nfs/dbraw/zinc/48/86/06/497488606.db2.gz CIJIRKCQZYAJNI-YUMYIRISSA-N 2 0 358.526 3.357 20 0 FGADRP CC[N@H+](C)[C@H](C(=O)NC[C@@H]1CC[NH+](Cc2ccccc2)C1)c1ccccc1 ZINC000193810551 497488937 /nfs/dbraw/zinc/48/89/37/497488937.db2.gz PKMFIHYYVIYGCJ-UNMCSNQZSA-N 2 0 365.521 3.318 20 0 FGADRP O[C@@H](C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)Cc1ccccc1 ZINC000245671745 497495415 /nfs/dbraw/zinc/49/54/15/497495415.db2.gz HLPWQAVQHNQLMJ-BXXSPATCSA-N 2 0 350.506 3.375 20 0 FGADRP C[C@@]1(C[N@@H+]2CCC[C@H](Nc3cccc(Br)c3)C2)CC[NH2+]C1 ZINC000262080888 497504616 /nfs/dbraw/zinc/50/46/16/497504616.db2.gz TTZSGCKVBILMTH-DLBZAZTESA-N 2 0 352.320 3.325 20 0 FGADRP C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)[C@H]([NH3+])Cc2ccccc2)C1 ZINC000262079138 497505354 /nfs/dbraw/zinc/50/53/54/497505354.db2.gz AQCBGBICVKFFNM-PGRDOPGGSA-N 2 0 365.521 3.105 20 0 FGADRP C[C@@H]1CC[N@H+](CC(=O)N2c3ccccc3CC[C@@H]2C)C[C@H]1n1ccnc1 ZINC000245706981 497511419 /nfs/dbraw/zinc/51/14/19/497511419.db2.gz SFCNCYKKBPSQIB-FUHIMQAGSA-N 2 0 352.482 3.134 20 0 FGADRP CCc1nocc1C[NH2+]CCCC[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000581111878 505911825 /nfs/dbraw/zinc/91/18/25/505911825.db2.gz MEXJHDQVLLZACU-UHFFFAOYSA-N 2 0 356.514 3.237 20 0 FGADRP CC(C)[C@H](NC(=O)C[N@@H+]1CC[C@@H](C)[C@H](n2ccnc2)C1)c1ccccc1 ZINC000245727059 497517960 /nfs/dbraw/zinc/51/79/60/497517960.db2.gz VLXAOQFFXAGPRT-QFUCXCTJSA-N 2 0 354.498 3.280 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N(C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000267314404 497524062 /nfs/dbraw/zinc/52/40/62/497524062.db2.gz CJTJLPGKZAUEFL-ZFMNYDKASA-N 2 0 372.557 3.021 20 0 FGADRP C[N@@H+]1CCC[C@@H](CNC2=[NH+]CCCN2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000262277937 497533145 /nfs/dbraw/zinc/53/31/45/497533145.db2.gz KDRXWUVVQJBRPN-HOCLYGCPSA-N 2 0 354.420 3.027 20 0 FGADRP C[C@@H](CCc1ccc(C(F)(F)F)cc1)[NH2+]CC1CC[NH+](CCO)CC1 ZINC000193982267 497539218 /nfs/dbraw/zinc/53/92/18/497539218.db2.gz GLCIXZLCRPMZBG-HNNXBMFYSA-N 2 0 358.448 3.320 20 0 FGADRP CCN1CC[C@H](NC(=O)[C@H]2CC[NH2+][C@@H](C)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000262363993 497545366 /nfs/dbraw/zinc/54/53/66/497545366.db2.gz JAEMOBAYGVXDDE-CSBKYJRVSA-N 2 0 367.896 3.119 20 0 FGADRP c1c[nH]c([C@H]2CCC[NH+](CCCCC[N@@H+]3CCC[C@H](c4ncc[nH]4)C3)C2)n1 ZINC000267462434 497558501 /nfs/dbraw/zinc/55/85/01/497558501.db2.gz VMKPBDYVCGKNOD-OALUTQOASA-N 2 0 370.545 3.362 20 0 FGADRP OC1CC[NH+](Cc2ccccc2C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCCC3)CC1 ZINC000194069637 497562726 /nfs/dbraw/zinc/56/27/26/497562726.db2.gz NPUGBZSMXLSZNG-YPAWHYETSA-N 2 0 370.537 3.081 20 0 FGADRP COc1ccccc1[C@H](CNC(=O)CC1(C[NH3+])CCCCC1)[NH+]1CCCC1 ZINC000262629008 497586124 /nfs/dbraw/zinc/58/61/24/497586124.db2.gz DWOQZKXWRPHUKI-IBGZPJMESA-N 2 0 373.541 3.248 20 0 FGADRP Cc1ccc([C@@H]([NH3+])C(=O)Nc2ccc(OCC[NH+]3CCCC3)c(C)c2)cc1 ZINC000262626429 497586151 /nfs/dbraw/zinc/58/61/51/497586151.db2.gz GDWRKHPFTQYSLT-OAQYLSRUSA-N 2 0 367.493 3.417 20 0 FGADRP Cc1ccc([C@H](N)C(=O)N2CC[C@H](C)[N@@H+](Cc3ccccc3)CC2)cc1 ZINC000262656038 497592883 /nfs/dbraw/zinc/59/28/83/497592883.db2.gz MIMUULQJDLLERD-RXVVDRJESA-N 2 0 351.494 3.118 20 0 FGADRP Cc1ccc([C@H]([NH3+])C(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)cc1 ZINC000262670163 497596081 /nfs/dbraw/zinc/59/60/81/497596081.db2.gz RHCLPBANUKSOSI-APWZRJJASA-N 2 0 357.523 3.085 20 0 FGADRP C[NH+](C)CC[C@@H](NC(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1)C(C)(C)C ZINC000194183063 497596402 /nfs/dbraw/zinc/59/64/02/497596402.db2.gz MLKJWVILSZPBDE-WOJBJXKFSA-N 2 0 374.573 3.174 20 0 FGADRP COc1cccc([C@H](CNC(=O)CC2(C[NH3+])CCCCC2)[NH+]2CCCC2)c1 ZINC000262682046 497599385 /nfs/dbraw/zinc/59/93/85/497599385.db2.gz SZIUWVGMYJMIJX-FQEVSTJZSA-N 2 0 373.541 3.248 20 0 FGADRP CCC[C@@](C)([NH3+])C(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000262718835 497607653 /nfs/dbraw/zinc/60/76/53/497607653.db2.gz XMTLSMXZHXFEEV-LJQANCHMSA-N 2 0 351.922 3.186 20 0 FGADRP CCC(CC)(CNC(=O)[C@@H]([NH3+])CCSC)[NH2+][C@@H](C)c1ccccc1 ZINC000272470852 497638038 /nfs/dbraw/zinc/63/80/38/497638038.db2.gz QDVBVGQAMWDECO-RDJZCZTQSA-N 2 0 351.560 3.093 20 0 FGADRP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)NC[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000194413983 497658749 /nfs/dbraw/zinc/65/87/49/497658749.db2.gz AZDPPZKOIIREEC-SFTDATJTSA-N 2 0 372.557 3.024 20 0 FGADRP c1coc(-c2ncc(C[NH+]3CCC(OCC[NH+]4CCCC4)CC3)s2)c1 ZINC000194417597 497659778 /nfs/dbraw/zinc/65/97/78/497659778.db2.gz AWMXATBHGLLXDZ-UHFFFAOYSA-N 2 0 361.511 3.480 20 0 FGADRP C[NH+](C)Cc1ccsc1C(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000268051507 497668420 /nfs/dbraw/zinc/66/84/20/497668420.db2.gz VKNGXWNKBSLDQZ-SFHVURJKSA-N 2 0 371.550 3.104 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N(CC[NH+](C)C)Cc1ccco1 ZINC000268049210 497668493 /nfs/dbraw/zinc/66/84/93/497668493.db2.gz ZJRDHVPKURTFOF-GOSISDBHSA-N 2 0 364.534 3.007 20 0 FGADRP C[C@@H]1CN(Cc2ccccc2)C[C@H]1[NH2+]Cc1ccnc(N2CCCC2)c1 ZINC000246245215 497673483 /nfs/dbraw/zinc/67/34/83/497673483.db2.gz OQHZAVFEDRODAF-WIYYLYMNSA-N 2 0 350.510 3.292 20 0 FGADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)NCC(C)(C)[NH2+][C@H](C)c2ccccc2)C1 ZINC000246269197 497679035 /nfs/dbraw/zinc/67/90/35/497679035.db2.gz AIWLPQMSEYHIHU-RTBURBONSA-N 2 0 374.573 3.393 20 0 FGADRP C[C@H](C[N@H+](C)CCCN1CC[NH+](C)CC1)c1cccc(Br)c1 ZINC000581158914 505923019 /nfs/dbraw/zinc/92/30/19/505923019.db2.gz MHJFJZSMFMKTPH-MRXNPFEDSA-N 2 0 368.363 3.122 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N[C@H](C)C1=CC[N@H+](C)CC1)c1ccsc1 ZINC000272705715 497707408 /nfs/dbraw/zinc/70/74/08/497707408.db2.gz GMUJLTCWMLYYCA-CRAIPNDOSA-N 2 0 364.559 3.081 20 0 FGADRP C[C@@H](c1ccc(F)cc1)N(C)C(=O)C[N@@H+]1CC[C@@H](C)[C@H](n2ccnc2)C1 ZINC000246380383 497714163 /nfs/dbraw/zinc/71/41/63/497714163.db2.gz ZMDNEHMNLSVOMV-JTDSTZFVSA-N 2 0 358.461 3.125 20 0 FGADRP C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)N3CCC[C@@H]([NH+](C)C)C3)cc2)C1 ZINC000246402926 497721623 /nfs/dbraw/zinc/72/16/23/497721623.db2.gz KADRFQKNWLKDDA-WIYYLYMNSA-N 2 0 372.557 3.154 20 0 FGADRP C[C@@H]1C[C@H](NC(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000246409124 497723742 /nfs/dbraw/zinc/72/37/42/497723742.db2.gz DYTCHRQKVKHOJN-GFOJFJKKSA-N 2 0 372.557 3.212 20 0 FGADRP C[C@@H]([NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1)[C@@H](O)Cc1ccccc1 ZINC000246434344 497733911 /nfs/dbraw/zinc/73/39/11/497733911.db2.gz ODKFMSGVBJRGEF-SVMVAKDDSA-N 2 0 356.510 3.270 20 0 FGADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCCC[NH+]2Cc2ccccc2)C1 ZINC000246526410 497764389 /nfs/dbraw/zinc/76/43/89/497764389.db2.gz UNELHFBQSFPROL-NHCUHLMSSA-N 2 0 357.542 3.135 20 0 FGADRP Fc1ccc(-n2ccc(CN3CC[C@@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)n2)cc1 ZINC000246566224 497777102 /nfs/dbraw/zinc/77/71/02/497777102.db2.gz LCNCTEHZBVIPBH-HRAATJIYSA-N 2 0 354.473 3.460 20 0 FGADRP CC(C)[C@H](NC(=O)CN1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)c1ccccc1 ZINC000246567078 497777171 /nfs/dbraw/zinc/77/71/71/497777171.db2.gz LGRNIWPLSVYCLM-NWSQWKLXSA-N 2 0 369.553 3.449 20 0 FGADRP C[NH+](C)CCOc1cnccc1C[NH2+][C@@H](C[C@H]1CCOC1)c1ccccc1 ZINC000572319054 505940275 /nfs/dbraw/zinc/94/02/75/505940275.db2.gz FIBSWLMDMZUJFK-NQIIRXRSSA-N 2 0 369.509 3.280 20 0 FGADRP CC[N@H+](Cc1ccc(C(=O)Nc2ccc(OCC[NH3+])cc2)cc1)C1CC1 ZINC000569481632 505945675 /nfs/dbraw/zinc/94/56/75/505945675.db2.gz MQRQKYLLEREAQJ-UHFFFAOYSA-N 2 0 353.466 3.261 20 0 FGADRP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](CC[C@H](C)OCc3ccccc3)C2)CC1 ZINC000572356134 505948647 /nfs/dbraw/zinc/94/86/47/505948647.db2.gz KZTZWXXIEPBUDO-UNMCSNQZSA-N 2 0 359.558 3.082 20 0 FGADRP CCn1ccnc1CNC(=O)NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000296280142 497983092 /nfs/dbraw/zinc/98/30/92/497983092.db2.gz MXDFWOAMUBWMEU-KRWDZBQOSA-N 2 0 369.513 3.277 20 0 FGADRP CC(C)c1nc2c([nH]1)C[C@@H](C(=O)N[C@@H](C[NH+](C)C)c1ccccc1)CC2 ZINC000364563063 498024721 /nfs/dbraw/zinc/02/47/21/498024721.db2.gz CRWBBRDZGHJISG-LPHOPBHVSA-N 2 0 354.498 3.057 20 0 FGADRP CC[NH+]1CCC(CC[NH2+]C[C@H](O)Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000575377325 505969834 /nfs/dbraw/zinc/96/98/34/505969834.db2.gz LKVZSNGJXOQVOV-GOSISDBHSA-N 2 0 358.448 3.320 20 0 FGADRP O=C(CCN1CCCC[C@H]1[C@@H]1CCC[NH2+]1)Nc1ccc(Cl)cc1F ZINC000572467981 505975829 /nfs/dbraw/zinc/97/58/29/505975829.db2.gz RMLFKYQVPFQXPZ-IRXDYDNUSA-N 2 0 353.869 3.414 20 0 FGADRP COc1cccc(OC)c1OCCCCN1CCC2(CCC[N@@H+]2C)CC1 ZINC000578613591 505980818 /nfs/dbraw/zinc/98/08/18/505980818.db2.gz VQQDNOOWKNVFQB-UHFFFAOYSA-N 2 0 362.514 3.423 20 0 FGADRP C[C@H](NC(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1)[C@@H]1CCC[NH2+]C1 ZINC000572498801 505983389 /nfs/dbraw/zinc/98/33/89/505983389.db2.gz OBKCFHXFNICKRN-GHTZIAJQSA-N 2 0 372.557 3.106 20 0 FGADRP CCC[NH+](CCC)CCCC(=O)N[C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000364771596 498135359 /nfs/dbraw/zinc/13/53/59/498135359.db2.gz OWNLDNZMKNURDJ-CTNGQTDRSA-N 2 0 374.573 3.310 20 0 FGADRP C[NH+](C)CCOc1cc(C[NH2+]Cc2cc(O)cc(C(F)(F)F)c2)ccn1 ZINC000289413163 498136312 /nfs/dbraw/zinc/13/63/12/498136312.db2.gz BQTLIHIUTUAAMJ-UHFFFAOYSA-N 2 0 369.387 3.036 20 0 FGADRP Cc1ncc(CNCc2cc(C)nc(N3CCCC3)n2)n1-c1ccccc1 ZINC000292771856 498142015 /nfs/dbraw/zinc/14/20/15/498142015.db2.gz KMJOOBKQOVXMSJ-UHFFFAOYSA-N 2 0 362.481 3.169 20 0 FGADRP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1cnc2c(c1)c(C)nn2C ZINC000289440440 498147437 /nfs/dbraw/zinc/14/74/37/498147437.db2.gz LWECRHCOCGRURE-UHFFFAOYSA-N 2 0 351.498 3.360 20 0 FGADRP CN1CC[NH+](CC2CC[NH+](Cc3cccc(-c4ccccn4)c3)CC2)CC1 ZINC000289455444 498153656 /nfs/dbraw/zinc/15/36/56/498153656.db2.gz NTNDTMDRINFPEO-UHFFFAOYSA-N 2 0 364.537 3.208 20 0 FGADRP C[C@@H]([NH2+]Cc1cccc(OCC[NH+](C)C)c1)c1ccccc1-n1ccnn1 ZINC000285640505 498156606 /nfs/dbraw/zinc/15/66/06/498156606.db2.gz LTNLBLKUXJACIY-QGZVFWFLSA-N 2 0 365.481 3.059 20 0 FGADRP O[C@@H]1CCC[N@H+](Cc2cc(Cl)cc(C[NH+]3CCC[C@H](O)CC3)c2)CC1 ZINC000296709279 498163786 /nfs/dbraw/zinc/16/37/86/498163786.db2.gz LTBPGRGFMIJPIM-BGYRXZFFSA-N 2 0 366.933 3.034 20 0 FGADRP O[C@@H]1CCC[NH+](Cc2cc(Cl)cc(C[N@H+]3CCC[C@@H](O)CC3)c2)CC1 ZINC000296709284 498164512 /nfs/dbraw/zinc/16/45/12/498164512.db2.gz LTBPGRGFMIJPIM-WOJBJXKFSA-N 2 0 366.933 3.034 20 0 FGADRP CC(=O)N1CC[C@H]([NH2+]CC2CC[NH+](C3CC3)CC2)c2ccc(F)cc2C1 ZINC000364847726 498171761 /nfs/dbraw/zinc/17/17/61/498171761.db2.gz JUJLRSDXRIVWGS-NRFANRHFSA-N 2 0 359.489 3.083 20 0 FGADRP COc1cc(C[NH2+]CCC2CC[NH+](C)CC2)cc(OC)c1OCC(F)F ZINC000289513375 498175445 /nfs/dbraw/zinc/17/54/45/498175445.db2.gz ARTDQLPXYFQIPR-UHFFFAOYSA-N 2 0 372.456 3.169 20 0 FGADRP CC[C@H](C(=O)NC[C@H]1CCC[NH+](CC(C)C)C1)[N@H+](C)Cc1ccccc1 ZINC000572534513 505991723 /nfs/dbraw/zinc/99/17/23/505991723.db2.gz GSUCLYBMVHFHJK-NHCUHLMSSA-N 2 0 359.558 3.381 20 0 FGADRP CC(C)[N@H+](C)Cc1cccc(CNC(=O)c2cccn2C2CC[NH2+]CC2)c1 ZINC000364863246 498180290 /nfs/dbraw/zinc/18/02/90/498180290.db2.gz BKSZGLOBCHDZBN-UHFFFAOYSA-N 2 0 368.525 3.183 20 0 FGADRP C[C@H]([NH2+][C@@H]1CCC[C@H](N2CCCC2=O)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000569743613 506005615 /nfs/dbraw/zinc/00/56/15/506005615.db2.gz BRJWJUHWQPYDLW-UVUJQTEASA-N 2 0 369.553 3.420 20 0 FGADRP C[C@H]([NH2+]C[C@H](O)COc1ccc(Cl)cc1Cl)C(C)(C)C[NH+](C)C ZINC000569715513 506000245 /nfs/dbraw/zinc/00/02/45/506000245.db2.gz NNVGVUMTHANFQA-JSGCOSHPSA-N 2 0 363.329 3.299 20 0 FGADRP COc1cc2c(cc1F)CC[C@H]2[NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000281753376 498258369 /nfs/dbraw/zinc/25/83/69/498258369.db2.gz WAEKZFKSHXMFAI-GHTZIAJQSA-N 2 0 370.468 3.178 20 0 FGADRP CC[N@H+](Cc1ccc(C(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)cc1)C(C)C ZINC000289708064 498258868 /nfs/dbraw/zinc/25/88/68/498258868.db2.gz BPNKXUZKZUCZHQ-OAQYLSRUSA-N 2 0 357.542 3.379 20 0 FGADRP C[N@@H+]1CCC[C@@H](CC[NH2+]C[C@H](O)Cn2c3ccccc3c3ccccc32)C1 ZINC000575797678 506007227 /nfs/dbraw/zinc/00/72/27/506007227.db2.gz ZSVOIOAKFQYYKA-OALUTQOASA-N 2 0 365.521 3.477 20 0 FGADRP C[N@@H+]1CCC[C@H](CC[NH2+]C[C@@H](O)Cn2c3ccccc3c3ccccc32)C1 ZINC000575797680 506007343 /nfs/dbraw/zinc/00/73/43/506007343.db2.gz ZSVOIOAKFQYYKA-RTBURBONSA-N 2 0 365.521 3.477 20 0 FGADRP CN(CC1CCN(c2cc[nH+]cc2)CC1)c1cc(NCC2CC2)ncn1 ZINC000301871965 498305339 /nfs/dbraw/zinc/30/53/39/498305339.db2.gz DFCKLQJDDARIHX-UHFFFAOYSA-N 2 0 352.486 3.046 20 0 FGADRP CC(=O)NC1CCC([NH2+]C2CCC([N@H+](C)Cc3ccccc3)CC2)CC1 ZINC000286174301 498315190 /nfs/dbraw/zinc/31/51/90/498315190.db2.gz QNIFHDCCKUPAER-UHFFFAOYSA-N 2 0 357.542 3.467 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+][C@@H]2CC[NH+](C[C@H]3CCCO3)C[C@@H]2C)C1 ZINC000360871154 498317849 /nfs/dbraw/zinc/31/78/49/498317849.db2.gz KTSSBQWHEWWVSC-MLBCHFTJSA-N 3 0 365.606 3.224 20 0 FGADRP Cc1nccn1-c1ccc(CNc2ncnc3c2cnn3C(C)(C)C)cn1 ZINC000301905320 498321442 /nfs/dbraw/zinc/32/14/42/498321442.db2.gz YOPSPGIMZDQBHI-UHFFFAOYSA-N 2 0 362.441 3.083 20 0 FGADRP Cc1ncc2c(n1)CC[C@H]([NH2+][C@@H]1CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]13)C2 ZINC000360999106 498331365 /nfs/dbraw/zinc/33/13/65/498331365.db2.gz MSRCBYQLDXEKIM-ZVXPMLRVSA-N 2 0 362.521 3.143 20 0 FGADRP Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)CC3 ZINC000361068873 498341534 /nfs/dbraw/zinc/34/15/34/498341534.db2.gz RPOMJWSQNLUUES-ROUUACIJSA-N 2 0 366.553 3.092 20 0 FGADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+]Cc2nnc3n2CCCC3)CC1 ZINC000286286880 498350999 /nfs/dbraw/zinc/35/09/99/498350999.db2.gz WICVPSSFLKOVCJ-UHFFFAOYSA-N 2 0 353.514 3.147 20 0 FGADRP C[C@@H]([NH2+]Cc1ccc2cnn(C)c2c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000572661078 506022777 /nfs/dbraw/zinc/02/27/77/506022777.db2.gz BSBLEJKMURKVNO-MRXNPFEDSA-N 2 0 352.482 3.365 20 0 FGADRP O[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]C/C=C/c2ccc(F)c(F)c2)CC1 ZINC000286345682 498371564 /nfs/dbraw/zinc/37/15/64/498371564.db2.gz FHVLDCVZMSHGLT-WGLWSTOQSA-N 2 0 350.453 3.336 20 0 FGADRP COc1cccc(OC)c1Oc1ccc(C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)cn1 ZINC000581617941 506029569 /nfs/dbraw/zinc/02/95/69/506029569.db2.gz KNDFUSUHLHDKIW-HZPDHXFCSA-N 2 0 357.454 3.251 20 0 FGADRP C[NH+](C)Cc1c2ccccc2oc1C(=O)Nc1nc2c(s1)C[C@@H]([NH3+])CC2 ZINC000290069865 498416666 /nfs/dbraw/zinc/41/66/66/498416666.db2.gz VZHKTHIUWPMFSC-NSHDSACASA-N 2 0 370.478 3.019 20 0 FGADRP Cc1cc([C@@H](C)[NH2+]C[C@@H](C)N2CC[NH+](C)CC2)sc1Br ZINC000286562296 498435863 /nfs/dbraw/zinc/43/58/63/498435863.db2.gz PCOFQYVXSQCANV-CHWSQXEVSA-N 2 0 360.365 3.106 20 0 FGADRP C[C@H]([NH2+]Cc1ccncc1OCCC[NH+](C)C)c1ccc2c(c1)COC2 ZINC000290207453 498466086 /nfs/dbraw/zinc/46/60/86/498466086.db2.gz HBSRUIJRDYVQLE-INIZCTEOSA-N 2 0 355.482 3.293 20 0 FGADRP C[C@H]([NH2+]CC1(N2CC[NH+](C)CC2)CCCCCC1)c1cccc(CO)c1 ZINC000362235008 498478473 /nfs/dbraw/zinc/47/84/73/498478473.db2.gz JQVLQWSVOMSYCG-IBGZPJMESA-N 2 0 359.558 3.170 20 0 FGADRP C[NH+](C)Cc1ccccc1C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000365461779 498479420 /nfs/dbraw/zinc/47/94/20/498479420.db2.gz PLRKZCPLIHJIJK-UHFFFAOYSA-N 2 0 371.550 3.452 20 0 FGADRP C[N@@H+]1CCC[C@@]2(CCN(C(=O)c3ccc(C[NH+]4CCCCC4)cc3)C2)C1 ZINC000293852617 498510958 /nfs/dbraw/zinc/51/09/58/498510958.db2.gz DEVLLDZFXRIOQT-JOCHJYFZSA-N 2 0 355.526 3.230 20 0 FGADRP COCC1(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CCOCC1 ZINC000293860276 498514218 /nfs/dbraw/zinc/51/42/18/498514218.db2.gz XSZUDGXEMSTHFN-MZADTFQBSA-N 2 0 358.526 3.215 20 0 FGADRP CC(=O)N1CCCN(C[C@@H]2CCC[N@H+](C[C@H]3CCCC(C)(C)C3)C2)CC1 ZINC000569917153 506046314 /nfs/dbraw/zinc/04/63/14/506046314.db2.gz WPYCKKHUYAOZLO-SFTDATJTSA-N 2 0 363.590 3.469 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2Cc3[nH]c4ccccc4c3C2)[C@H](C)C1 ZINC000282494847 498534519 /nfs/dbraw/zinc/53/45/19/498534519.db2.gz XROIMBFDUIVXKC-UWVAXJGDSA-N 2 0 355.526 3.362 20 0 FGADRP C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N2CCC[C@H](CC[NH3+])C2)C1 ZINC000581715224 506051948 /nfs/dbraw/zinc/05/19/48/506051948.db2.gz HGYAHHYVCARXMW-RTBURBONSA-N 2 0 372.557 3.189 20 0 FGADRP Clc1ccc(-c2noc(CC[NH2+][C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)n2)cc1 ZINC000569957942 506056381 /nfs/dbraw/zinc/05/63/81/506056381.db2.gz XHTCURNBQFGKPI-GVDBMIGSSA-N 2 0 360.889 3.443 20 0 FGADRP C[C@@H](C[NH2+][C@@H](C)c1ccc(Oc2ccccc2)cn1)N1CC[NH+](C)CC1 ZINC000297842336 498584718 /nfs/dbraw/zinc/58/47/18/498584718.db2.gz SMNDMCAFIUXJTQ-ROUUACIJSA-N 2 0 354.498 3.160 20 0 FGADRP C[C@@H]([NH2+]C1CCN(Cc2coc(-c3ccccc3)n2)CC1)[C@H]1CCCC[NH2+]1 ZINC000572832628 506063360 /nfs/dbraw/zinc/06/33/60/506063360.db2.gz RJEKQFCLAVPOPH-DYESRHJHSA-N 2 0 368.525 3.426 20 0 FGADRP C[C@H]1[C@H]([NH2+]C2CCN(CC(F)(F)F)CC2)CCN1Cc1ccccc1 ZINC000287131834 498641929 /nfs/dbraw/zinc/64/19/29/498641929.db2.gz ACNZLWMBLWVXRE-MAUKXSAKSA-N 2 0 355.448 3.266 20 0 FGADRP C[C@H](CNC(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1)[NH+]1CCC(C)CC1 ZINC000303067018 498645580 /nfs/dbraw/zinc/64/55/80/498645580.db2.gz NKBKGAWTJOFAPV-HSALFYBXSA-N 2 0 366.594 3.164 20 0 FGADRP Cc1nn(C)c(N2CCC[N@H+](C)CC2)c1C[NH2+]CC[C@@H](C)c1ccccc1 ZINC000365826339 498656481 /nfs/dbraw/zinc/65/64/81/498656481.db2.gz PSYGZARDRHVDIY-GOSISDBHSA-N 2 0 369.557 3.154 20 0 FGADRP Cc1ccc([C@@H](CNC(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)[NH+](C)C)cc1 ZINC000303269754 498659064 /nfs/dbraw/zinc/65/90/64/498659064.db2.gz HAOLEYCIPHJMCR-NHCUHLMSSA-N 2 0 372.557 3.258 20 0 FGADRP C[C@H]1CC[NH2+][C@H](C(=O)Nc2nc3c(s2)CN(Cc2ccccc2)CC3)C1 ZINC000578992879 506069703 /nfs/dbraw/zinc/06/97/03/506069703.db2.gz VJTYAPSSLZBVLF-YOEHRIQHSA-N 2 0 370.522 3.028 20 0 FGADRP Cn1cc([C@H]2[C@@H](C[NH2+]Cc3cnc(C(C)(C)C)s3)CCCN2C)cn1 ZINC000363177635 498688216 /nfs/dbraw/zinc/68/82/16/498688216.db2.gz WNEFZMUCAZGTRB-RHSMWYFYSA-N 2 0 361.559 3.347 20 0 FGADRP COc1cccc(N2CC[C@H](C[NH2+]C3CCN(c4cc[nH+]cc4)CC3)C2)c1 ZINC000298248313 498708715 /nfs/dbraw/zinc/70/87/15/498708715.db2.gz DDLNAGJBOFIXKT-GOSISDBHSA-N 2 0 366.509 3.175 20 0 FGADRP CN(C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000287369535 498732705 /nfs/dbraw/zinc/73/27/05/498732705.db2.gz SUIFNWDSKOUHIE-JGUMPVPUSA-N 2 0 370.541 3.090 20 0 FGADRP Cc1cccc(OC[C@H](O)C[NH2+][C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000312592138 498760647 /nfs/dbraw/zinc/76/06/47/498760647.db2.gz XDHWKAMZKOAMCI-ILWGZMRPSA-N 2 0 368.521 3.235 20 0 FGADRP c1c(CN2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)nc2ncccn12 ZINC000363324773 498762167 /nfs/dbraw/zinc/76/21/67/498762167.db2.gz SUALYEURCXUODB-JOCHJYFZSA-N 2 0 361.493 3.217 20 0 FGADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)C1 ZINC000332742525 498780297 /nfs/dbraw/zinc/78/02/97/498780297.db2.gz VJXQHLGFUMWHPI-FUHWJXTLSA-N 2 0 372.557 3.430 20 0 FGADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+]C[C@@H]2CCc3nccn3C2)CC1 ZINC000287508080 498781127 /nfs/dbraw/zinc/78/11/27/498781127.db2.gz OBKCDKAIKAULRK-MWXLCCTBSA-N 2 0 352.526 3.478 20 0 FGADRP CN(C(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1)[C@@H](c1ncc[nH]1)c1ccccc1 ZINC000579082871 506089949 /nfs/dbraw/zinc/08/99/49/506089949.db2.gz HQTGOKFCXBEXCH-RBUKOAKNSA-N 2 0 367.497 3.157 20 0 FGADRP COc1cc(C[NH+]2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)ccc1OC(F)F ZINC000579087913 506091043 /nfs/dbraw/zinc/09/10/43/506091043.db2.gz GJWYZSICFPERMB-DOTOQJQBSA-N 2 0 370.440 3.015 20 0 FGADRP Cc1nn(C)c2sc([C@@H](C)[NH2+]C3CC[NH+](C[C@H]4CCOC4)CC3)cc12 ZINC000287587939 498805333 /nfs/dbraw/zinc/80/53/33/498805333.db2.gz HVUAEIINSVNADU-HUUCEWRRSA-N 2 0 362.543 3.095 20 0 FGADRP COc1ccc2c(c1)[C@@H]([NH2+]CCC1CC[NH+](C3CCN(C)CC3)CC1)CC2 ZINC000366211616 498825719 /nfs/dbraw/zinc/82/57/19/498825719.db2.gz SPZNEWPSSSYXAX-QHCPKHFHSA-N 2 0 371.569 3.468 20 0 FGADRP Cc1nn(C)c(N2CCC[N@H+](C)CC2)c1C[NH2+][C@H](C)c1ccc(C)cc1 ZINC000366241916 498836787 /nfs/dbraw/zinc/83/67/87/498836787.db2.gz TUWXWOUKCRXCMK-QGZVFWFLSA-N 2 0 355.530 3.030 20 0 FGADRP CCCN(CCC)C(=O)CN1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000576197163 506098636 /nfs/dbraw/zinc/09/86/36/506098636.db2.gz YDMSILFAHVCMLW-LEWJYISDSA-N 2 0 357.542 3.089 20 0 FGADRP Cc1nn(C)c(N2CCC[N@H+](C)CC2)c1C[NH2+][C@@H]1CCCc2sccc21 ZINC000366241830 498836825 /nfs/dbraw/zinc/83/68/25/498836825.db2.gz SJNYOOOUNZVOIM-GOSISDBHSA-N 2 0 373.570 3.099 20 0 FGADRP CC(C)(C)c1cn2c(n1)CC[C@@H](NC(=O)[C@@H]1CC[N@@H+](C3CCCCC3)C1)C2 ZINC000332968929 498850758 /nfs/dbraw/zinc/85/07/58/498850758.db2.gz JAXBANZNSHMKCY-IAGOWNOFSA-N 2 0 372.557 3.266 20 0 FGADRP C[C@H]1C[C@H](NC(=O)Nc2ccc3c(c2)C[NH2+]C3)CC[N@@H+]1Cc1ccccc1 ZINC000570145948 506101208 /nfs/dbraw/zinc/10/12/08/506101208.db2.gz VDVYRIQFNDFZHQ-HRAATJIYSA-N 2 0 364.493 3.464 20 0 FGADRP Cc1nc2ccccc2n1CCC[NH2+][C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@H]1C ZINC000366285724 498858870 /nfs/dbraw/zinc/85/88/70/498858870.db2.gz PQESONPEDMKKRN-MISYRCLQSA-N 2 0 370.541 3.214 20 0 FGADRP C[C@H](CC[NH2+]C1CCC(CS(C)(=O)=O)CC1)[N@H+](C)Cc1ccccc1 ZINC000294951338 498860495 /nfs/dbraw/zinc/86/04/95/498860495.db2.gz YMTNFAVOHOILAE-QHGAOEGBSA-N 2 0 366.571 3.090 20 0 FGADRP Cc1nn(C)c(N2CCC[N@H+](C)CC2)c1C[NH2+]Cc1ccc(C(C)C)cc1 ZINC000363532909 498865710 /nfs/dbraw/zinc/86/57/10/498865710.db2.gz FJSQKUJUSLHQQI-UHFFFAOYSA-N 2 0 369.557 3.284 20 0 FGADRP Cc1nn(-c2ccc(Cl)cc2)cc1C[N@@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000579108925 506096426 /nfs/dbraw/zinc/09/64/26/506096426.db2.gz KDCMEWDBGXTJLO-QGZVFWFLSA-N 2 0 374.916 3.021 20 0 FGADRP CC(C)[C@@H]1OCCC[C@H]1Nc1cc(N2CC[C@]3(C2)CCC[N@H+](C)C3)ncn1 ZINC000328726395 498916109 /nfs/dbraw/zinc/91/61/09/498916109.db2.gz ZONQGKRQKLGPKI-JRGCBEDISA-N 2 0 373.545 3.014 20 0 FGADRP CC1CC[NH+](CCc2cccc(NC(=O)N3C[C@@H]4CC[C@H]([NH3+])[C@@H]4C3)c2)CC1 ZINC000333198592 498932822 /nfs/dbraw/zinc/93/28/22/498932822.db2.gz WYGQFUIPLHGWOW-TYPHKJRUSA-N 2 0 370.541 3.162 20 0 FGADRP C[C@H](NC(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1)[C@H](c1ccccc1)[NH+](C)C ZINC000288164806 498958813 /nfs/dbraw/zinc/95/88/13/498958813.db2.gz OUBCPAUJMVPIES-ABSDTBQOSA-N 2 0 360.546 3.050 20 0 FGADRP O=C(Nc1ccc2c(c1)C[NH2+]CC2)NC1CC[NH+](C2CCCCC2)CC1 ZINC000333302945 498972925 /nfs/dbraw/zinc/97/29/25/498972925.db2.gz KOGZSRYSISPTRV-UHFFFAOYSA-N 2 0 356.514 3.251 20 0 FGADRP C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@@H]1[NH2+]CCc1c[nH]c2ccc(F)cc12 ZINC000363786356 498992799 /nfs/dbraw/zinc/99/27/99/498992799.db2.gz FWLNRSJVZWBUAA-ZTNFWEORSA-N 2 0 359.489 3.329 20 0 FGADRP C[NH+](C)CC1CCC([NH2+]C[C@H](O)COc2ccc3ccccc3c2)CC1 ZINC000579228723 506124717 /nfs/dbraw/zinc/12/47/17/506124717.db2.gz ZEEFLAIYPYBKSH-JITJBCMDSA-N 2 0 356.510 3.290 20 0 FGADRP C[NH+]1CCC(Oc2ccc(C[NH2+]Cc3cnn(C(C)(C)C)c3)cc2)CC1 ZINC000283855204 499000616 /nfs/dbraw/zinc/00/06/16/499000616.db2.gz GAIHULGEUNAAOC-UHFFFAOYSA-N 2 0 356.514 3.401 20 0 FGADRP CC1CC[NH+](C2CCC(NC(=O)N[C@H](C[NH3+])C3CCCCC3)CC2)CC1 ZINC000333441729 499006624 /nfs/dbraw/zinc/00/66/24/499006624.db2.gz WFHXKURLJTZMOM-SOAGJPPSSA-N 2 0 364.578 3.236 20 0 FGADRP Cc1cc([C@H](C)[NH2+]CCCC[NH+]2CCN(Cc3ccccc3)CC2)no1 ZINC000283916346 499012460 /nfs/dbraw/zinc/01/24/60/499012460.db2.gz DMXMOCKKJZQGRB-IBGZPJMESA-N 2 0 356.514 3.232 20 0 FGADRP C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC000283976417 499023017 /nfs/dbraw/zinc/02/30/17/499023017.db2.gz MJWABYXDHFZGJI-UHFFFAOYSA-N 2 0 362.477 3.319 20 0 FGADRP CCOc1ccccc1NC(=O)CC[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000366889322 499107117 /nfs/dbraw/zinc/10/71/17/499107117.db2.gz WFLIUVDDRYADOL-UHFFFAOYSA-N 2 0 359.514 3.222 20 0 FGADRP Cc1cn2c(n1)[C@@H](C[NH2+][C@H](CCn1cncn1)c1ccc(C)cc1)CCC2 ZINC000364159724 499125903 /nfs/dbraw/zinc/12/59/03/499125903.db2.gz YXANTFKXJQBQOL-WOJBJXKFSA-N 2 0 364.497 3.390 20 0 FGADRP C[N@@H+]1CCC[C@H](CNC(=O)Nc2ccc(C[NH3+])cc2)[C@@H]1c1cccs1 ZINC000576328708 506131966 /nfs/dbraw/zinc/13/19/66/506131966.db2.gz CTZNHRGHTSGRCR-CRAIPNDOSA-N 2 0 358.511 3.411 20 0 FGADRP C[C@@H]1C[C@@H](N(C)C(=O)NC2CC[NH+](CC3CCCCC3)CC2)CC[N@@H+]1C ZINC000369871830 499142629 /nfs/dbraw/zinc/14/26/29/499142629.db2.gz JLHUIVJAXMSZCW-XLIONFOSSA-N 2 0 364.578 3.155 20 0 FGADRP C[C@H](C(=O)N1CCCCCC1)[N@@H+]1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000367231936 499165618 /nfs/dbraw/zinc/16/56/18/499165618.db2.gz RPZNIJXGLWCQFD-QZTJIDSGSA-N 2 0 358.530 3.190 20 0 FGADRP CC(C)[NH+]1CCN(C2CC[NH+](C[C@H]3CCC4(CCCCC4)O3)CC2)CC1 ZINC000372773571 499173441 /nfs/dbraw/zinc/17/34/41/499173441.db2.gz UJUHWJFSILQXBH-OAQYLSRUSA-N 2 0 363.590 3.359 20 0 FGADRP CN(c1ccccc1C[N@@H+]1CCC[C@@H](n2cccn2)C1)C1CC[NH+](C)CC1 ZINC000372805473 499177902 /nfs/dbraw/zinc/17/79/02/499177902.db2.gz SJJCRJFEFICODM-OAQYLSRUSA-N 2 0 367.541 3.251 20 0 FGADRP CC(C)C[C@H](C)NC(=O)N(C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000372820445 499180157 /nfs/dbraw/zinc/18/01/57/499180157.db2.gz GFFYVYXTFYEVLE-SFHVURJKSA-N 2 0 366.594 3.259 20 0 FGADRP Cc1ccc(-c2cnc(CN3CC[C@@H]([NH+]4CCN(C)CC4)[C@H](C)C3)o2)cc1 ZINC000370149585 499188055 /nfs/dbraw/zinc/18/80/55/499188055.db2.gz PBQRYLGZKGASRA-UYAOXDASSA-N 2 0 368.525 3.108 20 0 FGADRP c1nc2n(c1C[NH2+][C@H]1CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]31)CCCC2 ZINC000367437858 499199085 /nfs/dbraw/zinc/19/90/85/499199085.db2.gz KADOQXTXINLRQF-JBACZVJFSA-N 2 0 350.510 3.220 20 0 FGADRP O=C([C@@H]1CCCC[N@@H+]1Cc1ccccc1)N1CCC(c2c[nH]cn2)CC1 ZINC000370244817 499201455 /nfs/dbraw/zinc/20/14/55/499201455.db2.gz RPMDIGUJRMZAML-FQEVSTJZSA-N 2 0 352.482 3.170 20 0 FGADRP C[NH+](C)C1CCN(c2ccc(NC(=O)[C@H]3C[C@H]4CCCC[N@@H+]4C3)cc2)CC1 ZINC000370586047 499233919 /nfs/dbraw/zinc/23/39/19/499233919.db2.gz ZXAGMCGYTNFKJK-LAUBAEHRSA-N 2 0 370.541 3.030 20 0 FGADRP Cc1csc(CCCC[NH2+][C@@H]2CC[N@@H+](C[C@H]3CCCO3)C[C@H]2C)n1 ZINC000370644983 499239090 /nfs/dbraw/zinc/23/90/90/499239090.db2.gz SIAYXMMJLSERJA-KBAYOESNSA-N 2 0 351.560 3.253 20 0 FGADRP Cc1ncc([C@H](C)[NH2+]CC2(N3CC[NH+](C)CC3)CCCCCC2)c(C)n1 ZINC000370646287 499239472 /nfs/dbraw/zinc/23/94/72/499239472.db2.gz ROWNMIUVANFHTA-KRWDZBQOSA-N 2 0 359.562 3.084 20 0 FGADRP CC[NH+](CC)[C@H](CN[C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@@H]1C)c1ccco1 ZINC000370650507 499239941 /nfs/dbraw/zinc/23/99/41/499239941.db2.gz DSPPKHDRHGHFQP-MTQWCTHYSA-N 2 0 363.546 3.142 20 0 FGADRP COC(=O)c1ccc(C[N@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)s1 ZINC000367888225 499241880 /nfs/dbraw/zinc/24/18/80/499241880.db2.gz XHFCLQMPNMWWKX-UHFFFAOYSA-N 2 0 359.495 3.278 20 0 FGADRP C[C@H]1C[N@H+](CCCN[C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)CCCO1 ZINC000370730545 499249063 /nfs/dbraw/zinc/24/90/63/499249063.db2.gz OYRGDLAATPHQIK-XXTHSBEZSA-N 2 0 371.569 3.273 20 0 FGADRP CC1CC[NH+](CC2CC[NH+](CCc3nc4ccccc4c(=O)[nH]3)CC2)CC1 ZINC000370762266 499252336 /nfs/dbraw/zinc/25/23/36/499252336.db2.gz PQMNLOSYWVUAEJ-UHFFFAOYSA-N 2 0 368.525 3.322 20 0 FGADRP C[C@H](C(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)[C@H]([NH3+])c1ccccc1 ZINC000370763846 499252512 /nfs/dbraw/zinc/25/25/12/499252512.db2.gz PWJXGYVJMUVZPB-DWLFOUALSA-N 2 0 365.521 3.351 20 0 FGADRP C[N@@H+]1CCC[C@H](CNC(=O)CC(C)(C)[NH3+])[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000370773610 499253329 /nfs/dbraw/zinc/25/33/29/499253329.db2.gz OXGXKOXCHMHSQK-PBHICJAKSA-N 2 0 371.447 3.332 20 0 FGADRP O=C(Oc1ccccc1)N1CCC[C@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000367999478 499253387 /nfs/dbraw/zinc/25/33/87/499253387.db2.gz UYKZVRIQIBBSKD-FHWLQOOXSA-N 2 0 357.498 3.256 20 0 FGADRP C[C@@H]1CN(Cc2cccc(C[NH2+]C3CC(c4ccccn4)C3)c2)CCO1 ZINC000368031289 499257107 /nfs/dbraw/zinc/25/71/07/499257107.db2.gz SRCUXFGGPYZFRF-MDMXATFFSA-N 2 0 351.494 3.338 20 0 FGADRP C[C@@H]1C[N@H+](CCCCCOc2ccccc2)CCN1C1CC[NH+](C)CC1 ZINC000368050913 499259544 /nfs/dbraw/zinc/25/95/44/499259544.db2.gz IRQASCLTUXNGEG-HXUWFJFHSA-N 2 0 359.558 3.336 20 0 FGADRP Cc1cc(NC(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)c(C)cn1 ZINC000368241466 499277498 /nfs/dbraw/zinc/27/74/98/499277498.db2.gz OATSNAYGRGRNCG-VQTJNVASSA-N 2 0 364.493 3.106 20 0 FGADRP CN(C(=O)NCc1ccccc1C[N@H+](C)C1CCCCC1)C1CC([NH3+])C1 ZINC000573189268 506139433 /nfs/dbraw/zinc/13/94/33/506139433.db2.gz FBAIZYQYSQAAHS-UHFFFAOYSA-N 2 0 358.530 3.082 20 0 FGADRP C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000368297316 499283046 /nfs/dbraw/zinc/28/30/46/499283046.db2.gz WJPRBGZNYOJMQK-BDXSIMOUSA-N 2 0 351.535 3.238 20 0 FGADRP CCC[NH+]1CCN(C2CC[NH+](C/C=C/c3ccccc3OC)CC2)CC1 ZINC000371325260 499310257 /nfs/dbraw/zinc/31/02/57/499310257.db2.gz CTESQEDGNDFUFM-SOFGYWHQSA-N 2 0 357.542 3.200 20 0 FGADRP O=C(NCCc1cn2c(n1)CCCC2)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000368743086 499327125 /nfs/dbraw/zinc/32/71/25/499327125.db2.gz UZKMTJPAYLIRNV-UHFFFAOYSA-N 2 0 366.509 3.178 20 0 FGADRP Cc1ccc2[nH]c(C(=O)N3CCN(C4CC[NH+](C)CC4)[C@@H](C)C3)cc2c1C ZINC000371462584 499329954 /nfs/dbraw/zinc/32/99/54/499329954.db2.gz DHEFDECJHZUHKD-INIZCTEOSA-N 2 0 368.525 3.025 20 0 FGADRP C[NH+](C)[C@@H]1CCc2ccccc2[C@H]1NC1CC[NH+](Cc2ccncc2)CC1 ZINC000371486808 499333294 /nfs/dbraw/zinc/33/32/94/499333294.db2.gz AFGJVZRHMZDOLR-DHIUTWEWSA-N 2 0 364.537 3.253 20 0 FGADRP COc1ccc([C@H]2CCC[N@@H+]2CC(=O)NC2CC[NH+](C(C)C)CC2)cc1C ZINC000371747373 499361124 /nfs/dbraw/zinc/36/11/24/499361124.db2.gz QDIXJJXYUXTGHN-HXUWFJFHSA-N 2 0 373.541 3.130 20 0 FGADRP CC(C)[NH+]1CCN(CCC[NH2+][C@@H](c2ccccc2)c2ccccn2)CC1 ZINC000369203112 499376950 /nfs/dbraw/zinc/37/69/50/499376950.db2.gz KIDAFXIBSJZEDW-QFIPXVFZSA-N 2 0 352.526 3.177 20 0 FGADRP C[C@H](O)C[C@H](C[NH2+][C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@@H]1C)c1ccccc1 ZINC000372056003 499394009 /nfs/dbraw/zinc/39/40/09/499394009.db2.gz XIKYBOWDIGIMNT-MKJVIKKCSA-N 2 0 360.542 3.020 20 0 FGADRP Cn1ccnc1[C@H]([NH2+]CC1CC[NH+](CCc2ccccc2)CC1)C1CC1 ZINC000372300863 499418271 /nfs/dbraw/zinc/41/82/71/499418271.db2.gz KJBKUZUOJDNXQO-OAQYLSRUSA-N 2 0 352.526 3.416 20 0 FGADRP C[C@H]([NH2+]CCCOCC1CCOCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000372346149 499423321 /nfs/dbraw/zinc/42/33/21/499423321.db2.gz JJEPMPYQXPSLRS-UGKGYDQZSA-N 2 0 360.542 3.320 20 0 FGADRP CC(C)[C@@H]1C[C@H]([NH2+]CCC2CC[NH+](C3CCN(C)CC3)CC2)CS1 ZINC000372980726 499445666 /nfs/dbraw/zinc/44/56/66/499445666.db2.gz PGZAYHCFIFPWDZ-ICSRJNTNSA-N 2 0 353.620 3.302 20 0 FGADRP C[C@H]1CCC[N@H+](CCCC[NH2+][C@H]2CCS(=O)(=O)c3ccc(F)cc32)C1 ZINC000373223241 499458388 /nfs/dbraw/zinc/45/83/88/499458388.db2.gz HKCACSISQRXIFL-YJBOKZPZSA-N 2 0 368.518 3.146 20 0 FGADRP CCC[NH+]1CCN(C2CC[NH+](Cc3c[nH]nc3-c3ccccc3)CC2)CC1 ZINC000378341507 499503801 /nfs/dbraw/zinc/50/38/01/499503801.db2.gz LATQCFRMZJPAQT-UHFFFAOYSA-N 2 0 367.541 3.069 20 0 FGADRP C[C@@H]1C[N@@H+]([C@@H]2CC[C@](C)(c3ccccc3)C2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000375358011 499510276 /nfs/dbraw/zinc/51/02/76/499510276.db2.gz USQMCCBVMWDUGW-LGKPFJOYSA-N 2 0 355.570 3.455 20 0 FGADRP CC[NH+](CC)Cc1cc([C@@H](C)[NH2+][C@@H]2CCc3c[nH]nc3C2)ccc1OC ZINC000378510724 499526057 /nfs/dbraw/zinc/52/60/57/499526057.db2.gz INNAKQAZBCWEFN-DNVCBOLYSA-N 2 0 356.514 3.468 20 0 FGADRP C[C@@H](CCc1ccc(F)cc1F)[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000573229187 506148702 /nfs/dbraw/zinc/14/87/02/506148702.db2.gz VCHKBRSDSDEAHF-JKSUJKDBSA-N 2 0 352.469 3.376 20 0 FGADRP Cc1cnc([C@@H]2CCCC[N@H+]2CCCN2CC[NH+](C(C)C)CC2)s1 ZINC000375595782 499536011 /nfs/dbraw/zinc/53/60/11/499536011.db2.gz GCFINSBFDGJVDQ-SFHVURJKSA-N 2 0 350.576 3.395 20 0 FGADRP C[C@@H]1C[C@@H](NC(=O)[C@H]([NH3+])CC2CCCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000379676786 499542753 /nfs/dbraw/zinc/54/27/53/499542753.db2.gz AWNBERMDCQDTBD-JRGCBEDISA-N 2 0 357.542 3.453 20 0 FGADRP Cc1ncc2c(n1)CC[C@H]([NH2+][C@@H]1C[C@H]3CC[C@@H](C1)[N@H+]3Cc1ccccc1)C2 ZINC000375713158 499548209 /nfs/dbraw/zinc/54/82/09/499548209.db2.gz WVIOQPYVQKWAFJ-MYGLTJDJSA-N 2 0 362.521 3.428 20 0 FGADRP O[C@H](C[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1)COc1ccc(Cl)cc1 ZINC000388330965 499550894 /nfs/dbraw/zinc/55/08/94/499550894.db2.gz RNEFQWAQLJCCAR-UYAOXDASSA-N 2 0 374.912 3.191 20 0 FGADRP COC(=O)c1ccc(CN[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)o1 ZINC000388981158 499551982 /nfs/dbraw/zinc/55/19/82/499551982.db2.gz QTLAEINZRDBOKS-BHIYHBOVSA-N 2 0 354.450 3.066 20 0 FGADRP COc1ccc2c(c1)[C@@H]([NH2+]CCN1CC[NH+](Cc3ccccc3)CC1)CC2 ZINC000390646015 499555155 /nfs/dbraw/zinc/55/51/55/499555155.db2.gz MFWOOSUWXZRGAF-QHCPKHFHSA-N 2 0 365.521 3.090 20 0 FGADRP C[C@H](C[C@H]1CCCCC[NH2+]1)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000390688290 499555290 /nfs/dbraw/zinc/55/52/90/499555290.db2.gz ZMYNRXFVWIXVOL-FCEUIQTBSA-N 2 0 359.558 3.178 20 0 FGADRP C[N@@H+]1CC[C@H]([NH2+]Cc2cccc(NC(=O)c3ccncc3)c2)[C@H]2CCC[C@@H]21 ZINC000375854596 499562656 /nfs/dbraw/zinc/56/26/56/499562656.db2.gz UWCZDOFXVNDLDY-HKBOAZHASA-N 2 0 364.493 3.296 20 0 FGADRP OC1(C(F)(F)F)CCC([NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000396337300 499562846 /nfs/dbraw/zinc/56/28/46/499562846.db2.gz VTAKCSHPTFMTEK-WWDZGPRUSA-N 2 0 356.432 3.334 20 0 FGADRP Cc1nn(C)c2ncc(C[NH2+]CC3CC[NH+](Cc4ccccc4)CC3)cc12 ZINC000397487506 499563934 /nfs/dbraw/zinc/56/39/34/499563934.db2.gz DMYCHYKIETZYQU-UHFFFAOYSA-N 2 0 363.509 3.279 20 0 FGADRP Cc1nc(C)c([C@@H](C)[NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)s1 ZINC000397558846 499564223 /nfs/dbraw/zinc/56/42/23/499564223.db2.gz RVEPCFVQAKEMRP-OAHLLOKOSA-N 2 0 359.539 3.438 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H](O)COc1ccc(F)cc1 ZINC000397965999 499565815 /nfs/dbraw/zinc/56/58/15/499565815.db2.gz GXUDZLJECPARRU-ZNLUXHQJSA-N 2 0 372.484 3.066 20 0 FGADRP C[C@@H]([NH2+]C[C@@H](O)COc1ccc(-c2ccccc2)cc1)C1=CC[N@H+](C)CC1 ZINC000573238948 506150987 /nfs/dbraw/zinc/15/09/87/506150987.db2.gz FKDCPXWUBQWAGX-XMSQKQJNSA-N 2 0 366.505 3.333 20 0 FGADRP CN(C)C(=O)c1cccc(C[N@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000376179247 499589203 /nfs/dbraw/zinc/58/92/03/499589203.db2.gz YYQSVMAEZUVGRY-UHFFFAOYSA-N 2 0 366.509 3.132 20 0 FGADRP C[C@@H](Cc1ccccc1C(F)(F)F)[NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000376674151 499627828 /nfs/dbraw/zinc/62/78/28/499627828.db2.gz UFWZSYMRXVROPO-RDJZCZTQSA-N 2 0 369.475 3.395 20 0 FGADRP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000376705180 499630679 /nfs/dbraw/zinc/63/06/79/499630679.db2.gz DOKAOGIEIRKTRK-XLIONFOSSA-N 2 0 362.562 3.052 20 0 FGADRP CC(C)[NH+]1CCN(C(=O)NCc2ccccc2C[N@@H+]2CCCC[C@H]2C)CC1 ZINC000410369365 499658024 /nfs/dbraw/zinc/65/80/24/499658024.db2.gz DTDNECPOLGJRRZ-LJQANCHMSA-N 2 0 372.557 3.297 20 0 FGADRP CC1CC[NH+](Cc2cccc(CNC(=O)N3CCC(CC[NH3+])CC3)c2)CC1 ZINC000573257409 506154664 /nfs/dbraw/zinc/15/46/64/506154664.db2.gz ANHLWOUXHBYZID-UHFFFAOYSA-N 2 0 372.557 3.189 20 0 FGADRP C[NH+](C)[C@@H]1CCC[NH+](CCCCCC[N@H+]2CCC[C@@H]([NH+](C)C)CC2)CC1 ZINC000377392025 499686200 /nfs/dbraw/zinc/68/62/00/499686200.db2.gz NVARBVJFIZKFDZ-FGZHOGPDSA-N 4 0 366.638 3.379 20 0 FGADRP Cc1ccc2cc(C[N@@H+](C)[C@H]3CCN(C4CC[NH+](C)CC4)C3)ccc2n1 ZINC000377621131 499711313 /nfs/dbraw/zinc/71/13/13/499711313.db2.gz AWXZBJKMFFMPMA-NRFANRHFSA-N 2 0 352.526 3.144 20 0 FGADRP CCCNC(=O)[C@@H]1CCC[N@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000411227009 499714155 /nfs/dbraw/zinc/71/41/55/499714155.db2.gz UJQGSZWOXBPRHR-OAQYLSRUSA-N 2 0 357.542 3.411 20 0 FGADRP CCCNC(=O)CCC[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000411328806 499726295 /nfs/dbraw/zinc/72/62/95/499726295.db2.gz QGQPVYIVLCEJJH-NHCUHLMSSA-N 2 0 357.542 3.279 20 0 FGADRP C[N@@H+]1CC[C@H](C[NH2+]Cc2ccccc2N2CCOCC2)[C@@H]1c1ccccc1 ZINC000377764140 499730630 /nfs/dbraw/zinc/73/06/30/499730630.db2.gz SNQDWYSMPSIJRT-GGAORHGYSA-N 2 0 365.521 3.306 20 0 FGADRP CO[C@@H]1CC[C@@H]2OCC[N@H+](Cc3ccc(C[NH+]4CCCCC4)cc3)[C@H]2C1 ZINC000411409639 499736431 /nfs/dbraw/zinc/73/64/31/499736431.db2.gz UCKQYLURBWOTDN-FSSWDIPSSA-N 2 0 358.526 3.441 20 0 FGADRP CCSc1ccc([C@@H](C)[NH2+]CC(=O)NC2CC[NH+](C(C)C)CC2)cc1 ZINC000411466570 499744380 /nfs/dbraw/zinc/74/43/80/499744380.db2.gz SBHHNYNXDNVMOR-MRXNPFEDSA-N 2 0 363.571 3.438 20 0 FGADRP CC(C)N(C)c1ccc(C[N@H+](C)C2CCN(Cc3ccncc3)CC2)cn1 ZINC000377926475 499748853 /nfs/dbraw/zinc/74/88/53/499748853.db2.gz WSNMIXNKOKOUEJ-UHFFFAOYSA-N 2 0 367.541 3.418 20 0 FGADRP CC[NH+]1CCC(NC(=O)C[NH2+][C@@H](C)c2oc3ccc(OC)cc3c2C)CC1 ZINC000411523587 499751019 /nfs/dbraw/zinc/75/10/19/499751019.db2.gz YVNRDOHRWGUEJZ-HNNXBMFYSA-N 2 0 373.497 3.001 20 0 FGADRP C[C@@H]([NH2+][C@@H](C)CCN1CC[NH+](C)CC1)c1csc(-c2ccccc2)n1 ZINC000414147189 499764183 /nfs/dbraw/zinc/76/41/83/499764183.db2.gz WANGFDTYMFTBRI-DLBZAZTESA-N 2 0 358.555 3.487 20 0 FGADRP C[C@H]1CC[C@H]([NH2+]CC2(N3CCOCC3)CC[NH+](C)CC2)c2sccc21 ZINC000414207194 499768390 /nfs/dbraw/zinc/76/83/90/499768390.db2.gz ZGUSXKSHCWIFKF-WMZOPIPTSA-N 2 0 363.571 3.073 20 0 FGADRP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411656196 499773587 /nfs/dbraw/zinc/77/35/87/499773587.db2.gz PUQYSNUAMWGCHX-HXUWFJFHSA-N 2 0 371.569 3.358 20 0 FGADRP CC1CC[NH+](Cc2ccccc2C[NH2+]Cc2cnc(N(C)C)n2C)CC1 ZINC000414280855 499774036 /nfs/dbraw/zinc/77/40/36/499774036.db2.gz DZLUKHHDLSUMRI-UHFFFAOYSA-N 2 0 355.530 3.008 20 0 FGADRP C[C@@H]1CCC[N@H+](Cc2ccc(C[NH2+]Cc3cnc(N(C)C)n3C)cc2)C1 ZINC000414291957 499774765 /nfs/dbraw/zinc/77/47/65/499774765.db2.gz UQKOMEGFAYTRBP-QGZVFWFLSA-N 2 0 355.530 3.008 20 0 FGADRP C[C@H](CCCc1cccnc1)[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000414298293 499775394 /nfs/dbraw/zinc/77/53/94/499775394.db2.gz GWVUQQVVXBDSLL-HXUWFJFHSA-N 2 0 367.537 3.410 20 0 FGADRP CC(C)O[C@H]1C[C@H]([NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)C1(C)C ZINC000414305763 499776107 /nfs/dbraw/zinc/77/61/07/499776107.db2.gz NQRSHECDNFPEMT-PMACEKPBSA-N 2 0 360.542 3.195 20 0 FGADRP C[C@@H]([NH2+]C[C@@H](CO)c1ccc(F)cc1)c1cccc(OCC[NH+](C)C)c1 ZINC000414308703 499776364 /nfs/dbraw/zinc/77/63/64/499776364.db2.gz IQNUQCUWJKASQU-APWZRJJASA-N 2 0 360.473 3.193 20 0 FGADRP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1)c1ccccc1 ZINC000414322543 499777728 /nfs/dbraw/zinc/77/77/28/499777728.db2.gz GZASDKCOOYHFEJ-KRWDZBQOSA-N 2 0 351.494 3.235 20 0 FGADRP O=C(CC[NH+]1CCN(c2cc[nH+]c3ccccc32)CC1)Nc1ccccc1 ZINC000411719198 499782473 /nfs/dbraw/zinc/78/24/73/499782473.db2.gz KWQZGGAOLSYBPS-UHFFFAOYSA-N 2 0 360.461 3.386 20 0 FGADRP C[N@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)[C@H]1CCCC[C@H]1c1ccccc1 ZINC000412014824 499813243 /nfs/dbraw/zinc/81/32/43/499813243.db2.gz RBMSLBPWJTTYDF-VXKWHMMOSA-N 2 0 369.553 3.388 20 0 FGADRP CCC[N@H+](C[C@@H]1CC[NH2+][C@H](C)C1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000414755163 499827093 /nfs/dbraw/zinc/82/70/93/499827093.db2.gz YZQLEODARXVCSQ-RTBURBONSA-N 2 0 357.542 3.391 20 0 FGADRP c1ccc(OCc2cccnc2)c(C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000414772381 499829485 /nfs/dbraw/zinc/82/94/85/499829485.db2.gz BULTVGSSFRCAEK-UXHICEINSA-N 2 0 351.494 3.482 20 0 FGADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]Cc1cnn(-c2ccc(Br)cc2)c1 ZINC000414797331 499832264 /nfs/dbraw/zinc/83/22/64/499832264.db2.gz INIXBNAVYPOMNZ-YOEHRIQHSA-N 2 0 363.303 3.242 20 0 FGADRP COc1ccc(NC(=O)C[C@@H](C)[NH2+]Cc2ccc([C@@H](C)[NH3+])cc2)c(OC)c1 ZINC000414819777 499834384 /nfs/dbraw/zinc/83/43/84/499834384.db2.gz ZQNXVCJZUVKHTJ-HUUCEWRRSA-N 2 0 371.481 3.230 20 0 FGADRP C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000414839216 499836162 /nfs/dbraw/zinc/83/61/62/499836162.db2.gz LYVYZBGSEPILSO-KBPBESRZSA-N 2 0 368.319 3.146 20 0 FGADRP Brc1cc(C[NH2+]CC[C@H]2CCC[NH2+]C2)cc2c1OCCCO2 ZINC000414851228 499837900 /nfs/dbraw/zinc/83/79/00/499837900.db2.gz NWMDNKCRUJHIKH-CYBMUJFWSA-N 2 0 369.303 3.090 20 0 FGADRP C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000414851384 499837937 /nfs/dbraw/zinc/83/79/37/499837937.db2.gz JCOPKYIZMPVHKG-BZUAXINKSA-N 2 0 351.922 3.055 20 0 FGADRP C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@H](C)[C@H]1CCC[NH2+]C1 ZINC000414851908 499838000 /nfs/dbraw/zinc/83/80/00/499838000.db2.gz JNMRBQKSXCWJRN-MCIONIFRSA-N 2 0 368.319 3.144 20 0 FGADRP C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000414853042 499838323 /nfs/dbraw/zinc/83/83/23/499838323.db2.gz KNMSVPQANPTALI-HLLBOEOZSA-N 2 0 351.922 3.055 20 0 FGADRP C[C@@H](CCCCN1C(=O)c2ccccc2C1=O)[NH2+]CC1([NH3+])CCCCCC1 ZINC000414857999 499838725 /nfs/dbraw/zinc/83/87/25/499838725.db2.gz HCXGGJBXZYNZKN-KRWDZBQOSA-N 2 0 371.525 3.483 20 0 FGADRP COc1ccc([C@@H]2CC[NH2+]C[C@H]2NCc2cc(F)c(F)c(F)c2)cc1 ZINC000414883735 499841399 /nfs/dbraw/zinc/84/13/99/499841399.db2.gz NIRAHGARCWMFMN-MAUKXSAKSA-N 2 0 350.384 3.348 20 0 FGADRP C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1cccc(C[NH+]2CCCCC2)c1 ZINC000412343325 499846824 /nfs/dbraw/zinc/84/68/24/499846824.db2.gz ICFYJNSDYSLXPR-WIYYLYMNSA-N 2 0 355.526 3.371 20 0 FGADRP C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000414969122 499849792 /nfs/dbraw/zinc/84/97/92/499849792.db2.gz IYBJPVVBLQGHOX-DZGCQCFKSA-N 2 0 368.319 3.288 20 0 FGADRP COc1ccc(OCc2ccccn2)c(C[NH2+]CCC[C@@H]2CCC[NH2+]2)c1 ZINC000414967198 499849852 /nfs/dbraw/zinc/84/98/52/499849852.db2.gz GZYDGTKWZINFLU-GOSISDBHSA-N 2 0 355.482 3.291 20 0 FGADRP COCC1(C[NH2+][C@@H](C)Cc2ccc(Br)c(F)c2)CC[NH2+]CC1 ZINC000414974925 499850455 /nfs/dbraw/zinc/85/04/55/499850455.db2.gz NBEHIEZMPLDTTF-ZDUSSCGKSA-N 2 0 373.310 3.125 20 0 FGADRP COCC1(C[NH2+]Cc2cc(Cl)ccc2OCC2CC2)CC[NH2+]CC1 ZINC000414978357 499850646 /nfs/dbraw/zinc/85/06/46/499850646.db2.gz SKIAENQKGKXSBI-UHFFFAOYSA-N 2 0 352.906 3.235 20 0 FGADRP C[C@@H]([NH3+])[C@H]1CCCN(C(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)C1 ZINC000414978250 499850827 /nfs/dbraw/zinc/85/08/27/499850827.db2.gz RHCQFFPSNYSFEV-MJGOQNOKSA-N 2 0 358.530 3.306 20 0 FGADRP CC[C@H]([NH3+])C[NH2+][C@@H](C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000414981413 499851315 /nfs/dbraw/zinc/85/13/15/499851315.db2.gz BQNFYCXICGMJHA-UWVGGRQHSA-N 2 0 351.800 3.403 20 0 FGADRP CC(C)C[C@@H](C[NH2+][C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)c1ccccc1 ZINC000414988178 499852091 /nfs/dbraw/zinc/85/20/91/499852091.db2.gz LNKGXPNFRFXGGE-VWPQPMDRSA-N 2 0 357.542 3.053 20 0 FGADRP Cc1cc(Br)cn2c(C[NH2+]C[C@@H]3CCC[C@H]([NH3+])C3)cnc12 ZINC000414993281 499852727 /nfs/dbraw/zinc/85/27/27/499852727.db2.gz CJXSPXWJQJBEOM-OCCSQVGLSA-N 2 0 351.292 3.012 20 0 FGADRP COc1cc(C)c(C[NH2+]C[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)c(C)n1 ZINC000415006635 499854195 /nfs/dbraw/zinc/85/41/95/499854195.db2.gz QKCWZTGJJIVRPF-PKOBYXMFSA-N 2 0 357.473 3.329 20 0 FGADRP Cc1nn(-c2ccc(F)cc2F)c(C)c1C[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000415006218 499854361 /nfs/dbraw/zinc/85/43/61/499854361.db2.gz KFADJZHAFOVUSP-QFBILLFUSA-N 2 0 360.452 3.245 20 0 FGADRP Fc1ccc([C@@H]2CC[NH2+]C[C@@H]2C[NH2+]Cc2ccc(-n3cccn3)cc2)cc1 ZINC000415012810 499854757 /nfs/dbraw/zinc/85/47/57/499854757.db2.gz XNJGPKOGLAAJMG-KNQAVFIVSA-N 2 0 364.468 3.494 20 0 FGADRP [NH3+][C@H]1CCC[C@H](C[NH2+]Cc2cn(-c3ccc(Cl)cc3Cl)nn2)C1 ZINC000415011010 499854968 /nfs/dbraw/zinc/85/49/68/499854968.db2.gz VQJIJMYMRPAGOQ-AAEUAGOBSA-N 2 0 354.285 3.181 20 0 FGADRP COc1cc(Br)c(C[NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)cc1OC ZINC000415028440 499856059 /nfs/dbraw/zinc/85/60/59/499856059.db2.gz YMVKEWZTIVQALH-JOCQHMNTSA-N 2 0 371.319 3.321 20 0 FGADRP [NH3+]C[C@H]1CC[C@H]([NH2+]Cc2ccc(Br)c(Br)c2)C1 ZINC000415033144 499856343 /nfs/dbraw/zinc/85/63/43/499856343.db2.gz IPWSXKXDUJLKHF-ONGXEEELSA-N 2 0 362.109 3.429 20 0 FGADRP Clc1ccc(C[NH2+]C2CCC([NH+]3CCNCC3)CC2)c2ncccc12 ZINC000415052393 499858628 /nfs/dbraw/zinc/85/86/28/499858628.db2.gz LADFBKZPMXGFRF-UHFFFAOYSA-N 2 0 358.917 3.194 20 0 FGADRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1ccc(Cn2ccccc2=O)cc1 ZINC000415088568 499862216 /nfs/dbraw/zinc/86/22/16/499862216.db2.gz XSJXXGODWCFRBF-RXVVDRJESA-N 2 0 353.510 3.297 20 0 FGADRP Cc1ccc(C[NH+]2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)c(Br)c1 ZINC000415104480 499863852 /nfs/dbraw/zinc/86/38/52/499863852.db2.gz GZFUGCLJDUUCCD-ZWKOTPCHSA-N 2 0 367.331 3.476 20 0 FGADRP c1ccc(-c2noc([C@@]34CCC[C@@H]3C[N@@H+](C[C@@H]3CCC[NH2+]C3)C4)n2)cc1 ZINC000415102870 499863915 /nfs/dbraw/zinc/86/39/15/499863915.db2.gz JGRCYEHXBSPXFN-HGHGUNKESA-N 2 0 352.482 3.090 20 0 FGADRP C[C@H](C[C@H]1CCCCC[NH2+]1)Nc1ccccc1C[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000415123255 499866522 /nfs/dbraw/zinc/86/65/22/499866522.db2.gz PJTOUZFMWJMJQP-MISYRCLQSA-N 2 0 372.557 3.107 20 0 FGADRP [NH3+][C@H]1CCCO[C@H]1C1CC[NH+](Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000415126362 499867063 /nfs/dbraw/zinc/86/70/63/499867063.db2.gz MAXGTXXICYRFIU-IRXDYDNUSA-N 2 0 358.404 3.304 20 0 FGADRP [NH3+]Cc1cn([C@H]2CCC[N@H+](CCCc3c(Cl)cccc3Cl)C2)nn1 ZINC000415130116 499867792 /nfs/dbraw/zinc/86/77/92/499867792.db2.gz QKZFUTTXCNSTLL-AWEZNQCLSA-N 2 0 368.312 3.313 20 0 FGADRP CCOc1ccc(C[NH+]2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)cc1OCC ZINC000415132417 499868269 /nfs/dbraw/zinc/86/82/69/499868269.db2.gz UDQXLISFJQLAJB-WIYYLYMNSA-N 2 0 362.514 3.202 20 0 FGADRP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](Cc2ccccc2OC(F)(F)F)CC1 ZINC000415138210 499869224 /nfs/dbraw/zinc/86/92/24/499869224.db2.gz YOVHKZYNSZHKPE-WBVHZDCISA-N 2 0 358.404 3.304 20 0 FGADRP CC[NH+](CC)CCOc1ccc(NC(=O)NCC2([NH3+])CCCCC2)cc1 ZINC000415155870 499871180 /nfs/dbraw/zinc/87/11/80/499871180.db2.gz AJNOFELJZMBPSW-UHFFFAOYSA-N 2 0 362.518 3.190 20 0 FGADRP CC[NH+](CC)CCOc1ccc(NC(=O)N2CCC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000415173008 499873224 /nfs/dbraw/zinc/87/32/24/499873224.db2.gz AXQFTSDZWYNVFN-OAQYLSRUSA-N 2 0 374.529 3.015 20 0 FGADRP C[C@H]1CCCN(C(=O)Nc2ccc(OCC[NH+]3CCCCC3)cc2)[C@H]1C[NH3+] ZINC000415304736 499885008 /nfs/dbraw/zinc/88/50/08/499885008.db2.gz GEXTWQXZFDIYHE-PXNSSMCTSA-N 2 0 374.529 3.142 20 0 FGADRP [NH3+]C[C@@H](NC(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1)C1CCCC1 ZINC000415315464 499885720 /nfs/dbraw/zinc/88/57/20/499885720.db2.gz ZZACXFMUKIDKBY-HXUWFJFHSA-N 2 0 374.529 3.190 20 0 FGADRP CC1CC[NH+](CCc2cccc(NC(=O)N3C[C@H]4CC[NH2+]C[C@H]4C3)c2)CC1 ZINC000415389470 499890882 /nfs/dbraw/zinc/89/08/82/499890882.db2.gz JAQNJBIHTCMWFR-UXHICEINSA-N 2 0 370.541 3.034 20 0 FGADRP CC1CC[NH+](CCc2cccc(NC(=O)N3CC[C@@]4(CC[NH2+]C4)C3)c2)CC1 ZINC000415399928 499891494 /nfs/dbraw/zinc/89/14/94/499891494.db2.gz YYPUMUCKWLFNOO-JOCHJYFZSA-N 2 0 370.541 3.178 20 0 FGADRP CC1CC[NH+](C[C@H]2CCCN(C(=O)Nc3ccc4c(c3)C[NH2+]CC4)C2)CC1 ZINC000415879744 499923631 /nfs/dbraw/zinc/92/36/31/499923631.db2.gz CJLMBLATCMONDM-GOSISDBHSA-N 2 0 370.541 3.308 20 0 FGADRP C[NH2+]Cc1ccccc1NC(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000415897172 499925641 /nfs/dbraw/zinc/92/56/41/499925641.db2.gz FHRVLSJLZKTJOF-UHFFFAOYSA-N 2 0 352.482 3.324 20 0 FGADRP C[NH2+]Cc1ccccc1NC(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000415903795 499926394 /nfs/dbraw/zinc/92/63/94/499926394.db2.gz QRERYCVKIVAPEW-LJQANCHMSA-N 2 0 352.482 3.192 20 0 FGADRP CC[NH2+]Cc1ccccc1NC(=O)N[C@H](C)C[N@H+](C)Cc1ccccc1 ZINC000415910597 499927472 /nfs/dbraw/zinc/92/74/72/499927472.db2.gz CAANINDQVRRZIY-QGZVFWFLSA-N 2 0 354.498 3.438 20 0 FGADRP [NH3+]CCOc1ccc(NC(=O)N2CCC[N@H+](CC3CCCCC3)CC2)cc1 ZINC000415933610 499930291 /nfs/dbraw/zinc/93/02/91/499930291.db2.gz GGLCNFJAASEGRU-UHFFFAOYSA-N 2 0 374.529 3.144 20 0 FGADRP CC[NH2+]Cc1cccc(NC(=O)N(C)CCC[N@H+](C)Cc2ccco2)c1 ZINC000415937939 499930703 /nfs/dbraw/zinc/93/07/03/499930703.db2.gz XKAXTBQNMYDZBA-UHFFFAOYSA-N 2 0 358.486 3.375 20 0 FGADRP CC[NH2+]Cc1ccccc1NC(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C ZINC000415940092 499931086 /nfs/dbraw/zinc/93/10/86/499931086.db2.gz DLSBPAYDQXANJT-LJQANCHMSA-N 2 0 358.461 3.360 20 0 FGADRP C[C@@H](NC(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1)C(C)(C)C[NH+](C)C ZINC000415951147 499932800 /nfs/dbraw/zinc/93/28/00/499932800.db2.gz FKIZAGJJBNVQEF-LLVKDONJSA-N 2 0 360.424 3.262 20 0 FGADRP CC[NH+](CC)CCN(CC(C)C)C(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000415954153 499933042 /nfs/dbraw/zinc/93/30/42/499933042.db2.gz JYEZZWUTEOLHJI-UHFFFAOYSA-N 2 0 364.509 3.303 20 0 FGADRP C[C@H](CNC(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1)[N@@H+]1CCC[C@@H](C)C1 ZINC000415966371 499934494 /nfs/dbraw/zinc/93/44/94/499934494.db2.gz GLIUUOQXCIBIAA-CHWSQXEVSA-N 2 0 372.435 3.406 20 0 FGADRP C[NH2+]Cc1ccc(NC(=O)N2CCC[C@H](C[NH+]3CCC(C)CC3)C2)cc1 ZINC000415974240 499935969 /nfs/dbraw/zinc/93/59/69/499935969.db2.gz QMIWBVBURYTPRC-LJQANCHMSA-N 2 0 358.530 3.382 20 0 FGADRP Cc1ccccc1C[NH+]1CCC(NC(=O)Nc2ccc(C[NH3+])cc2)CC1 ZINC000415978948 499936503 /nfs/dbraw/zinc/93/65/03/499936503.db2.gz QCQDCRFWWBRPNC-UHFFFAOYSA-N 2 0 352.482 3.240 20 0 FGADRP C[NH2+]Cc1ccc(NC(=O)NCC(C)(C)[N@@H+]2CCc3ccccc3C2)cc1 ZINC000415978013 499936623 /nfs/dbraw/zinc/93/66/23/499936623.db2.gz ZOCAQNMVBQAIQC-UHFFFAOYSA-N 2 0 366.509 3.364 20 0 FGADRP C[NH2+]Cc1ccc(NC(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000415979605 499936926 /nfs/dbraw/zinc/93/69/26/499936926.db2.gz DTCFKCOEYYGFDT-OXJNMPFZSA-N 2 0 352.482 3.048 20 0 FGADRP C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000415996911 499939108 /nfs/dbraw/zinc/93/91/08/499939108.db2.gz OGTPGOGZDGUQIE-KRWDZBQOSA-N 2 0 364.493 3.418 20 0 FGADRP CC1(C)CN(C(=O)Nc2ccc3c(c2)C[NH2+]C3)CC[N@@H+]1Cc1ccccc1 ZINC000416001051 499939736 /nfs/dbraw/zinc/93/97/36/499939736.db2.gz YOWBEUCOPVQTGJ-UHFFFAOYSA-N 2 0 364.493 3.418 20 0 FGADRP CN(C(=O)Nc1ccc2c(c1)C[NH2+]C2)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000416006376 499940150 /nfs/dbraw/zinc/94/01/50/499940150.db2.gz JWSQSJZROMQRFI-UHFFFAOYSA-N 2 0 370.419 3.170 20 0 FGADRP C[C@@H](Cc1ccccc1C(F)(F)F)[NH2+]CCCC[NH+]1CCN(C)CC1 ZINC000573300734 506166034 /nfs/dbraw/zinc/16/60/34/506166034.db2.gz MVFIXYCHEHEGIQ-INIZCTEOSA-N 2 0 357.464 3.254 20 0 FGADRP C[NH+](C)[C@H](CC(=O)NC[C@H](c1ccco1)[NH+]1CCCC1)c1ccccc1 ZINC000416118969 499950079 /nfs/dbraw/zinc/95/00/79/499950079.db2.gz AWUYIXCVQXEHHE-RTBURBONSA-N 2 0 355.482 3.226 20 0 FGADRP C[C@H](C[NH+]1CCCCC1)NC(=O)N[C@H](C[NH3+])c1ccc2ccccc2c1 ZINC000417036124 499954204 /nfs/dbraw/zinc/95/42/04/499954204.db2.gz SOIGUUYJLSVIHP-OXQOHEQNSA-N 2 0 354.498 3.013 20 0 FGADRP C[N@@H+]1CC[C@]2(CC[NH+](CCC(=O)Nc3c(Cl)cccc3Cl)C2)C1 ZINC000429015180 499983584 /nfs/dbraw/zinc/98/35/84/499983584.db2.gz XGZMCFWBXKYMMD-KRWDZBQOSA-N 2 0 356.297 3.350 20 0 FGADRP C[N@@H+]1CC[C@]2(CC[NH+](C[C@@H](O)Cn3c4ccccc4c4ccccc43)C2)C1 ZINC000429032855 499989112 /nfs/dbraw/zinc/98/91/12/499989112.db2.gz XXSLJDJJNRHJQW-JPYJTQIMSA-N 2 0 363.505 3.183 20 0 FGADRP C[NH+](C)C[C@@H](NC(=O)C[C@@H](c1ccccc1)[NH+](C)C)c1ccc(F)cc1 ZINC000416235217 499989769 /nfs/dbraw/zinc/98/97/69/499989769.db2.gz SGDDTSQWNLFKJB-UXHICEINSA-N 2 0 357.473 3.238 20 0 FGADRP CC1CC[NH+]([C@H](CNC(=O)NCCC[C@@H]2CCC[NH2+]2)c2ccccc2)CC1 ZINC000417220959 500009175 /nfs/dbraw/zinc/00/91/75/500009175.db2.gz ZHJPTJMFERSJJE-LEWJYISDSA-N 2 0 372.557 3.291 20 0 FGADRP CC[NH+]1CCC(N2CCC[N@H+](Cc3cnc(CC(C)C)s3)CC2)CC1 ZINC000421367586 500028324 /nfs/dbraw/zinc/02/83/24/500028324.db2.gz FIJFJIWAECZDAP-UHFFFAOYSA-N 2 0 364.603 3.334 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)NC(C)(C)C[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000417298296 500033003 /nfs/dbraw/zinc/03/30/03/500033003.db2.gz PSOXVDZNSYSEOO-OAHLLOKOSA-N 2 0 374.451 3.125 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)NCc1ccc([C@@H](C)[NH3+])cc1)c1ccco1 ZINC000417310739 500036256 /nfs/dbraw/zinc/03/62/56/500036256.db2.gz KSDSWXOWCJZWQX-QAPCUYQASA-N 2 0 358.486 3.182 20 0 FGADRP C[NH2+]C[C@@H]1CCCN(C(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)C1 ZINC000417330433 500041462 /nfs/dbraw/zinc/04/14/62/500041462.db2.gz DRAHOWNBEVPIFJ-NRFANRHFSA-N 2 0 372.557 3.204 20 0 FGADRP CSC[C@@H]1CCC[NH+](CCOCC[N@H+]2CCC[C@@H](CSC)C2)C1 ZINC000429289540 500043967 /nfs/dbraw/zinc/04/39/67/500043967.db2.gz BZSNMAKVYMEYAL-QZTJIDSGSA-N 2 0 360.633 3.153 20 0 FGADRP CC(C)(C[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12)C1(O)CCOCC1 ZINC000417350989 500045996 /nfs/dbraw/zinc/04/59/96/500045996.db2.gz ATTXRQYFJVPJEV-NJDAHSKKSA-N 2 0 372.553 3.054 20 0 FGADRP CCCN(C(=O)NCc1cccc(C[NH+]2CCCCCC2)c1)[C@H]1CC[NH2+]C1 ZINC000417355577 500047481 /nfs/dbraw/zinc/04/74/81/500047481.db2.gz ODOSADYNKDGSOU-NRFANRHFSA-N 2 0 372.557 3.346 20 0 FGADRP O=C(NCc1cccc(C[NH+]2CCCCCC2)c1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000417358192 500048700 /nfs/dbraw/zinc/04/87/00/500048700.db2.gz SUAIKXHXBYWEDP-RTWAWAEBSA-N 2 0 370.541 3.099 20 0 FGADRP COc1cc2[nH+]ccc(N[C@H]3CC[N@H+](C)[C@H](C)C3)c2cc1Br ZINC000425225410 500049459 /nfs/dbraw/zinc/04/94/59/500049459.db2.gz FVDRHQNUWRDGQY-NEPJUHHUSA-N 2 0 364.287 3.322 20 0 FGADRP C[C@H]1CCC[C@H]([NH+]2CCC([NH2+]CC(C)(C)C3(O)CCOCC3)CC2)C1 ZINC000417377531 500053754 /nfs/dbraw/zinc/05/37/54/500053754.db2.gz GAGZRDFXXQHVRX-HKUYNNGSSA-N 2 0 352.563 3.187 20 0 FGADRP CC1CC[NH+](Cc2cccc(CNC(=O)N3CC[C@H](C)[C@@H](C[NH3+])C3)c2)CC1 ZINC000417469499 500083023 /nfs/dbraw/zinc/08/30/23/500083023.db2.gz QIQYGWYTXFLMOS-RXVVDRJESA-N 2 0 372.557 3.045 20 0 FGADRP C[C@H]([NH3+])c1ccc(CNC(=O)c2ccc(C[NH+]3CCSCC3)cc2)cc1 ZINC000429505403 500089923 /nfs/dbraw/zinc/08/99/23/500089923.db2.gz UHYQXOKTPNJSLM-INIZCTEOSA-N 2 0 369.534 3.185 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N[C@H]1CC[C@@H](C[NH3+])C1)c1ccccc1Cl ZINC000416827803 500131591 /nfs/dbraw/zinc/13/15/91/500131591.db2.gz DABVZWNVOYKNMX-RVKKMQEKSA-N 2 0 366.937 3.150 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)NCC[C@@H]1CC[NH2+]C1)c1ccccc1Cl ZINC000416839232 500134649 /nfs/dbraw/zinc/13/46/49/500134649.db2.gz JVEPSCGGOFLACC-MAUKXSAKSA-N 2 0 366.937 3.022 20 0 FGADRP CC[NH2+]CC1CCN(C(=O)NC[C@H](c2ccccc2)[NH+](CC)CC)CC1 ZINC000416839914 500135122 /nfs/dbraw/zinc/13/51/22/500135122.db2.gz KPUMQZXOZSUHEA-HXUWFJFHSA-N 2 0 360.546 3.101 20 0 FGADRP CC[NH+](CC)Cc1ccccc1CNC(=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000416893978 500149601 /nfs/dbraw/zinc/14/96/01/500149601.db2.gz QDQSLLMQHNDXSI-FQEVSTJZSA-N 2 0 372.557 3.060 20 0 FGADRP CN(C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000416896937 500150282 /nfs/dbraw/zinc/15/02/82/500150282.db2.gz WVLYKZCRPHYTGU-WCRBZPEASA-N 2 0 370.541 3.097 20 0 FGADRP CCC(CC)(CNC(=O)NC1(C)CC[NH2+]CC1)[NH2+][C@@H](C)c1ccccc1 ZINC000417697768 500150861 /nfs/dbraw/zinc/15/08/61/500150861.db2.gz FETJULJGMKTAHI-KRWDZBQOSA-N 2 0 360.546 3.337 20 0 FGADRP CCC(CC)(CNC(=O)N[C@@H]1CC[C@@H](C[NH3+])C1)[NH2+][C@H](C)c1ccccc1 ZINC000417695663 500150909 /nfs/dbraw/zinc/15/09/09/500150909.db2.gz BMCLZMDJTGULMC-ZHALLVOQSA-N 2 0 360.546 3.323 20 0 FGADRP CC(C)[C@@H]([NH3+])CNC(=O)NCc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000416968542 500169503 /nfs/dbraw/zinc/16/95/03/500169503.db2.gz YPJDTTLRUDZDJU-NRFANRHFSA-N 2 0 368.525 3.198 20 0 FGADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000416969954 500170338 /nfs/dbraw/zinc/17/03/38/500170338.db2.gz MFWVZGSNCAWITI-PZJWPPBQSA-N 2 0 372.557 3.058 20 0 FGADRP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000416971849 500170796 /nfs/dbraw/zinc/17/07/96/500170796.db2.gz HRMOBLZAADZXSU-BBTUJRGHSA-N 2 0 372.557 3.472 20 0 FGADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000416974094 500171872 /nfs/dbraw/zinc/17/18/72/500171872.db2.gz KXOUDNGVGLTOQL-OAQYLSRUSA-N 2 0 374.573 3.433 20 0 FGADRP [NH3+]CCC[C@@H](NC(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1)c1ccccc1 ZINC000417802390 500174875 /nfs/dbraw/zinc/17/48/75/500174875.db2.gz WYAJEGNTWNFPTH-WOJBJXKFSA-N 2 0 358.530 3.030 20 0 FGADRP C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)N(C)CC(C)(C)C[NH3+])C1 ZINC000417009098 500183013 /nfs/dbraw/zinc/18/30/13/500183013.db2.gz XIWPCNRIEKVLKK-ROUUACIJSA-N 2 0 374.573 3.291 20 0 FGADRP CC(C)C[C@H](CNC(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1)[NH2+][C@H](C)c1ccccc1 ZINC000417876327 500190011 /nfs/dbraw/zinc/19/00/11/500190011.db2.gz OYYFOAYDJPGUJW-AYWYSENESA-N 2 0 372.557 3.003 20 0 FGADRP C[C@H](C(=O)NC1CCC([NH+](C)C)CC1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000422004315 500195898 /nfs/dbraw/zinc/19/58/98/500195898.db2.gz GBAHSIZEVBZWGF-OSFYOIPJSA-N 2 0 371.569 3.319 20 0 FGADRP C[C@H](C[NH2+][C@@H](C)CC(=O)Nc1ccc(OC(F)(F)F)cc1)C[NH+](C)C ZINC000425933791 500213553 /nfs/dbraw/zinc/21/35/53/500213553.db2.gz WVRSOKUNPSHODN-OLZOCXBDSA-N 2 0 361.408 3.090 20 0 FGADRP C[C@H]([NH3+])c1ccc(CNC(=O)N[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000418017107 500214709 /nfs/dbraw/zinc/21/47/09/500214709.db2.gz RZMWDELSLZMSMY-WWMYMODYSA-N 2 0 366.509 3.026 20 0 FGADRP CC1(C)C[C@@H]([NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)CO1 ZINC000418071388 500225541 /nfs/dbraw/zinc/22/55/41/500225541.db2.gz WGGBRVSTPMUMQP-WOJBJXKFSA-N 2 0 358.526 3.072 20 0 FGADRP CCCN(C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)[C@@H]1CC[NH2+]C1 ZINC000418166627 500240898 /nfs/dbraw/zinc/24/08/98/500240898.db2.gz ZOAYIYZIGQDAAG-UXHICEINSA-N 2 0 372.557 3.071 20 0 FGADRP CC[C@H](C)[NH2+][C@H](CNC(=O)NCc1ccc([C@H](C)[NH3+])cc1)c1ccco1 ZINC000418171361 500241886 /nfs/dbraw/zinc/24/18/86/500241886.db2.gz UPYFGCIDNWVJPK-RLFYNMQTSA-N 2 0 358.486 3.228 20 0 FGADRP CCC[N@H+](C)[C@@H](CNC(=O)N1CC[C@](C)(C[NH3+])C1)c1ccc(Cl)cc1 ZINC000418176942 500243383 /nfs/dbraw/zinc/24/33/83/500243383.db2.gz HLTKOQLGHKFABF-PKOBYXMFSA-N 2 0 366.937 3.103 20 0 FGADRP CCC[N@H+](C)[C@@H](CNC(=O)N[C@@H](C)CCC[NH3+])c1ccc(Cl)cc1 ZINC000418183878 500244269 /nfs/dbraw/zinc/24/42/69/500244269.db2.gz OXZMRGMEKNJXEG-YOEHRIQHSA-N 2 0 354.926 3.150 20 0 FGADRP CC(C)Cc1ccc([C@H](CNC(=O)NC2CCC([NH3+])CC2)[NH+](C)C)cc1 ZINC000418196577 500247952 /nfs/dbraw/zinc/24/79/52/500247952.db2.gz RJSPAZGPIOYBBN-MHJFOBGBSA-N 2 0 360.546 3.057 20 0 FGADRP CC[NH2+]CC1CC[NH+]([C@H](C)C(=O)N[C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000430542541 500251538 /nfs/dbraw/zinc/25/15/38/500251538.db2.gz KTVCZTYDTAPSKC-LSDHHAIUSA-N 2 0 351.922 3.227 20 0 FGADRP CCc1ccc([C@@H](CNC(=O)N2CC[C@@](C)(C[NH3+])C2)[NH+](CC)CC)cc1 ZINC000418222369 500251999 /nfs/dbraw/zinc/25/19/99/500251999.db2.gz WXEWWHXUEAAJDX-CTNGQTDRSA-N 2 0 360.546 3.012 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H]2CCN(c3ccccc3F)C2)[C@H](C)C1 ZINC000426288835 500257046 /nfs/dbraw/zinc/25/70/46/500257046.db2.gz KIOLDJJFSHMMLN-HBFSDRIKSA-N 2 0 363.521 3.131 20 0 FGADRP CC[NH2+]CC1CC[NH+](CC(=O)N(C)[C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000430582526 500258749 /nfs/dbraw/zinc/25/87/49/500258749.db2.gz LCWYXEORPLRGCY-HNNXBMFYSA-N 2 0 351.922 3.181 20 0 FGADRP Cc1ccc([C@@H]([NH3+])C(=O)Nc2ccc(OCC[N@H+]3CC[C@H](C)C3)cc2)cc1 ZINC000430606486 500261443 /nfs/dbraw/zinc/26/14/43/500261443.db2.gz VYRDHVFRYKJRTR-LAUBAEHRSA-N 2 0 367.493 3.354 20 0 FGADRP CC(C)[C@@H](C(=O)NCCCC[NH+]1CCC(Cc2ccccc2)CC1)[NH+](C)C ZINC000426367448 500265471 /nfs/dbraw/zinc/26/54/71/500265471.db2.gz UIKSLDCCFDTKIZ-QFIPXVFZSA-N 2 0 373.585 3.424 20 0 FGADRP [NH3+]CC1CC[NH+](Cc2ncc(-c3cccc(Br)c3)o2)CC1 ZINC000430644055 500265526 /nfs/dbraw/zinc/26/55/26/500265526.db2.gz STLMKRAXUSEXMT-UHFFFAOYSA-N 2 0 350.260 3.275 20 0 FGADRP CCN(C(=O)NCC[C@@H]1CCC[NH2+]C1)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000418350120 500266333 /nfs/dbraw/zinc/26/63/33/500266333.db2.gz QPVDRDFTONZCDT-IRFCIJBXSA-N 2 0 372.557 3.243 20 0 FGADRP [NH3+]CC1(C(=O)N2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)CCCC1 ZINC000430705586 500272631 /nfs/dbraw/zinc/27/26/31/500272631.db2.gz LGWLAPVTHSKINY-OAQYLSRUSA-N 2 0 355.526 3.020 20 0 FGADRP CC(C)C[C@H](C[NH3+])NC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000418431029 500275759 /nfs/dbraw/zinc/27/57/59/500275759.db2.gz WBFZKQFPLZVEKB-PWRODBHTSA-N 2 0 372.557 3.056 20 0 FGADRP C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)[C@H](C[NH3+])c3ccccc3)cc2)C1 ZINC000430740694 500278587 /nfs/dbraw/zinc/27/85/87/500278587.db2.gz BZKSUCXRBQXGBL-PGRDOPGGSA-N 2 0 365.521 3.277 20 0 FGADRP CC[NH+]1CCN(c2ccc(C[NH2+]CCSCc3ccccc3)cn2)CC1 ZINC000430744097 500278829 /nfs/dbraw/zinc/27/88/29/500278829.db2.gz RIAGVOMNLPLKTR-UHFFFAOYSA-N 2 0 370.566 3.247 20 0 FGADRP C[C@@H]([NH3+])c1ccc(CNC(=O)N2CCC[C@H](C[NH+]3CCC(C)CC3)C2)cc1 ZINC000418466249 500280097 /nfs/dbraw/zinc/28/00/97/500280097.db2.gz QXFCKOWNWDETHE-UYAOXDASSA-N 2 0 372.557 3.360 20 0 FGADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@@H](C[NH3+])c2ccc3ccccc3c2)C1 ZINC000418503850 500285819 /nfs/dbraw/zinc/28/58/19/500285819.db2.gz ZUCJJLGKTPIHPI-UWJYYQICSA-N 2 0 368.525 3.213 20 0 FGADRP COCC[N@H+](C)CC[C@H](N[C@H]1C[C@H]([NH3+])c2ccccc21)c1ccccc1 ZINC000422707516 500287659 /nfs/dbraw/zinc/28/76/59/500287659.db2.gz AGQHYBXSFIAMJO-FKBYEOEOSA-N 2 0 353.510 3.430 20 0 FGADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000422719718 500289387 /nfs/dbraw/zinc/28/93/87/500289387.db2.gz REIXVWBOQQNNIQ-WWPVKYPJSA-N 2 0 351.538 3.099 20 0 FGADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C1CCN(Cc2ccc(F)c(F)c2)CC1 ZINC000422723356 500290121 /nfs/dbraw/zinc/29/01/21/500290121.db2.gz RCDWECXOGOJPPX-AWEZNQCLSA-N 2 0 374.479 3.442 20 0 FGADRP COc1ccc(CC[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1OC ZINC000422725731 500290245 /nfs/dbraw/zinc/29/02/45/500290245.db2.gz CCSFRNJBPTYHAR-AVRDEDQJSA-N 2 0 368.477 3.092 20 0 FGADRP CSc1nnc(CCC[NH2+][C@H](C)C[C@@H]2CCCCC[NH2+]2)n1CC(C)C ZINC000422727319 500290951 /nfs/dbraw/zinc/29/09/51/500290951.db2.gz HCTPAYBFMLRYDF-SJORKVTESA-N 2 0 367.607 3.489 20 0 FGADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+][C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1 ZINC000422731691 500291602 /nfs/dbraw/zinc/29/16/02/500291602.db2.gz OAMDKFDRYGZYTF-CPUCHLNUSA-N 2 0 357.420 3.142 20 0 FGADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+][C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000422738280 500292612 /nfs/dbraw/zinc/29/26/12/500292612.db2.gz YJOSGTIIHFVKGL-OLMNPRSZSA-N 2 0 355.448 3.257 20 0 FGADRP CCOC(=O)C1([C@@H](C)[NH2+][C@@H](CC)c2ccc(F)cc2F)CC[NH2+]CC1 ZINC000422753354 500294614 /nfs/dbraw/zinc/29/46/14/500294614.db2.gz CEJXZDJQDZPEFB-DYVFJYSZSA-N 2 0 354.441 3.327 20 0 FGADRP Clc1ccccc1N1CCC[C@H]([NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)C1 ZINC000422780643 500296366 /nfs/dbraw/zinc/29/63/66/500296366.db2.gz JQBJPWFSZMNIAL-QFHJOOASSA-N 2 0 363.933 3.056 20 0 FGADRP CCOc1cc2c(cc1C[NH2+][C@H](C)c1ccc(C[NH3+])nc1C)O[C@H](C)C2 ZINC000422785977 500297341 /nfs/dbraw/zinc/29/73/41/500297341.db2.gz PXRRMIHTGAMASF-ZIAGYGMSSA-N 2 0 355.482 3.422 20 0 FGADRP CCOC(=O)C1([C@H](C)[NH2+][C@H]2CCCO[C@H]2c2ccc(C)cc2)CC[NH2+]CC1 ZINC000422801773 500299730 /nfs/dbraw/zinc/29/97/30/500299730.db2.gz ANHOSHSMISDKMX-IHPCNDPISA-N 2 0 374.525 3.126 20 0 FGADRP CCCC[N@H+](C)CC1CCN(C(=O)NC[C@H]([NH3+])c2ccccc2CC)CC1 ZINC000418642452 500300010 /nfs/dbraw/zinc/30/00/10/500300010.db2.gz AKVSUMSQLGXDAK-NRFANRHFSA-N 2 0 374.573 3.402 20 0 FGADRP CCOC(=O)C1([C@@H](C)[NH2+][C@H](Cc2ccc(F)cc2)C(C)C)CC[NH2+]CC1 ZINC000422805495 500300709 /nfs/dbraw/zinc/30/07/09/500300709.db2.gz JFGLKLHRJJBWDM-VQIMIIECSA-N 2 0 364.505 3.304 20 0 FGADRP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCC1CCN(CC(F)(F)F)CC1 ZINC000422820472 500301764 /nfs/dbraw/zinc/30/17/64/500301764.db2.gz QTYBRKWMHHNRLC-CRAIPNDOSA-N 2 0 357.464 3.199 20 0 FGADRP [NH3+]CCC[C@H](NC(=O)N1CCC[N@@H+](C2CCCC2)CC1)c1ccccc1 ZINC000418654043 500301773 /nfs/dbraw/zinc/30/17/73/500301773.db2.gz BKQRUNNNKDCQML-FQEVSTJZSA-N 2 0 358.530 3.127 20 0 FGADRP COC[C@H](Cc1ccccc1)[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422819685 500302107 /nfs/dbraw/zinc/30/21/07/500302107.db2.gz IUKADVDACLUIGH-CZTZKLFOSA-N 2 0 352.478 3.090 20 0 FGADRP c1cc(C[NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)cc(C[NH+]2CCCCCC2)c1 ZINC000422824676 500302771 /nfs/dbraw/zinc/30/27/71/500302771.db2.gz HVJLFYSAVVFJLT-DNVJHFABSA-N 3 0 371.569 3.309 20 0 FGADRP C[C@H](CCCC[NH3+])NC(=O)N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000418665356 500304066 /nfs/dbraw/zinc/30/40/66/500304066.db2.gz CAGCFYHIHKCMNR-MSOLQXFVSA-N 2 0 352.567 3.190 20 0 FGADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1 ZINC000422837644 500304331 /nfs/dbraw/zinc/30/43/31/500304331.db2.gz MQTFMTLELFSHGW-WIYYLYMNSA-N 3 0 359.558 3.044 20 0 FGADRP COC[C@@H](CCC[NH3+])[NH2+]CCOc1c(Cl)cc(Cl)cc1Cl ZINC000422842137 500304810 /nfs/dbraw/zinc/30/48/10/500304810.db2.gz XSECJOIVFHARAF-LLVKDONJSA-N 2 0 355.693 3.369 20 0 FGADRP [NH3+]CCC[C@@H](NC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1)c1ccccc1 ZINC000418675018 500306281 /nfs/dbraw/zinc/30/62/81/500306281.db2.gz PHUQXLACPMVVPR-VQTJNVASSA-N 2 0 358.530 3.127 20 0 FGADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CCC(=O)Nc1cccc(Cl)c1C ZINC000422858206 500306850 /nfs/dbraw/zinc/30/68/50/500306850.db2.gz IBHIOFZHFZPJFY-CYBMUJFWSA-N 2 0 360.889 3.490 20 0 FGADRP CCN(C(=O)N[C@H](C)CCCC[NH3+])[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000418681753 500307138 /nfs/dbraw/zinc/30/71/38/500307138.db2.gz ZCAUIYZNKITSME-QWFCFKBJSA-N 2 0 360.546 3.371 20 0 FGADRP Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)c(OC[C@@H]2CCOC2)c1 ZINC000422866626 500307360 /nfs/dbraw/zinc/30/73/60/500307360.db2.gz QYYAKFXWPSPHPT-CWJKEVGVSA-N 2 0 358.526 3.421 20 0 FGADRP CCOC(=O)C1([C@H](C)[NH2+][C@@H](C)c2cccc(OC(F)F)c2)CC[NH2+]CC1 ZINC000422880084 500309596 /nfs/dbraw/zinc/30/95/96/500309596.db2.gz LPCYESBPWUQEIK-KBPBESRZSA-N 2 0 370.440 3.260 20 0 FGADRP CC(C)(C)CC(C)(C)[NH+]1CCN(C(=O)NC[C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000418707346 500310131 /nfs/dbraw/zinc/31/01/31/500310131.db2.gz BOKDUFDWSTYONO-IAGOWNOFSA-N 2 0 352.567 3.046 20 0 FGADRP c1ccc2c(c1)O[C@@]1(CC[NH2+]C1)C[C@H]2[NH2+]C[C@H]1CCOc2ccccc21 ZINC000422882099 500310404 /nfs/dbraw/zinc/31/04/04/500310404.db2.gz AFIFCONBBGSBMM-PERKRYKHSA-N 2 0 350.462 3.398 20 0 FGADRP COC[C@@H](CCC[NH3+])[NH2+][C@@H](c1nc2ccccc2n1C)c1ccccc1 ZINC000422885908 500310844 /nfs/dbraw/zinc/31/08/44/500310844.db2.gz ZKSKOMOUVDIUDH-YLJYHZDGSA-N 2 0 352.482 3.006 20 0 FGADRP C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)NC[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000418716631 500311989 /nfs/dbraw/zinc/31/19/89/500311989.db2.gz JGFNRWJMCRUZLD-SFTDATJTSA-N 2 0 372.557 3.058 20 0 FGADRP C[C@@H]([NH3+])C1CC[NH+](Cc2nc(-c3ccc(C(F)(F)F)cc3)no2)CC1 ZINC000430952301 500312355 /nfs/dbraw/zinc/31/23/55/500312355.db2.gz YRERPKZBINPHOM-LLVKDONJSA-N 2 0 354.376 3.315 20 0 FGADRP C[NH2+]CC1CC[NH+](CC(=O)N[C@H](C)c2ccc(Cl)c(Cl)c2)CC1 ZINC000430951950 500312465 /nfs/dbraw/zinc/31/24/65/500312465.db2.gz NYAPEYANPUDJPT-GFCCVEGCSA-N 2 0 358.313 3.102 20 0 FGADRP COc1ccc(C2(C[NH2+][C@@H](Cc3ccccc3)[C@H](C)[NH3+])CCOCC2)cc1 ZINC000422899678 500313263 /nfs/dbraw/zinc/31/32/63/500313263.db2.gz OXLABXSHNNLCIK-AVRDEDQJSA-N 2 0 368.521 3.292 20 0 FGADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@H](C)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000422901272 500313814 /nfs/dbraw/zinc/31/38/14/500313814.db2.gz RUPWUOWKCONVLI-HLIPFELVSA-N 2 0 373.541 3.305 20 0 FGADRP CCc1nc(CN2CCC(C[NH2+][C@@H](CC)[C@@H]3CCC[NH2+]3)CC2)cs1 ZINC000422913016 500315423 /nfs/dbraw/zinc/31/54/23/500315423.db2.gz OVRGYKGJWXMMFN-ROUUACIJSA-N 2 0 350.576 3.038 20 0 FGADRP COC[C@H]([NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1ccc(F)cc1 ZINC000422919887 500316802 /nfs/dbraw/zinc/31/68/02/500316802.db2.gz LFTDXEHRSJNRJD-ZJOUEHCJSA-N 2 0 356.441 3.359 20 0 FGADRP C[C@@H]([NH2+]C[C@H]1CCN(c2ccc(Br)cc2)C1)[C@@H]1CCC[NH2+]1 ZINC000422942053 500321026 /nfs/dbraw/zinc/32/10/26/500321026.db2.gz JYOUBAGZYGRITE-CPUCHLNUSA-N 2 0 352.320 3.006 20 0 FGADRP CCOC(=O)C1([C@@H](C)[NH2+]CCCc2cccc(Cl)c2)CC[NH2+]CC1 ZINC000422942635 500321357 /nfs/dbraw/zinc/32/13/57/500321357.db2.gz JKMJLYMVHSZYDL-OAHLLOKOSA-N 2 0 352.906 3.184 20 0 FGADRP Cc1ccc(Br)cc1NC(=O)CC[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000422956343 500323103 /nfs/dbraw/zinc/32/31/03/500323103.db2.gz PMBWGWXDWAXFQN-HIFRSBDPSA-N 2 0 368.319 3.193 20 0 FGADRP c1coc([C@H](C[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)N2CCCC2)c1 ZINC000422964437 500324749 /nfs/dbraw/zinc/32/47/49/500324749.db2.gz LOSCHQDZEODHSS-IPJJNNNSSA-N 2 0 367.493 3.262 20 0 FGADRP Fc1cccc2c1OCC[C@H]2[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422968687 500325299 /nfs/dbraw/zinc/32/52/99/500325299.db2.gz RWDQRKUQMYXCJH-LQWHRVPQSA-N 2 0 354.425 3.495 20 0 FGADRP COc1cccc(COCC[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000422999986 500328998 /nfs/dbraw/zinc/32/89/98/500328998.db2.gz GKLMCESXCCDTMK-IRLDBZIGSA-N 2 0 368.477 3.057 20 0 FGADRP CN1CC[C@H]([NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)[C@H]1c1ccccc1 ZINC000423010967 500330514 /nfs/dbraw/zinc/33/05/14/500330514.db2.gz HPXOMMYNVQHJKA-JVSAHFFESA-N 2 0 363.505 3.277 20 0 FGADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]CCc1cccc(OCc2ccccc2)c1 ZINC000423020646 500331483 /nfs/dbraw/zinc/33/14/83/500331483.db2.gz CJWSQNKIUGJLCY-HSQYWUDLSA-N 2 0 354.494 3.150 20 0 FGADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@H](C)c1nc(-c2ccccc2)no1 ZINC000423018774 500331589 /nfs/dbraw/zinc/33/15/89/500331589.db2.gz ZSJIHLABNUNJHK-KBPBESRZSA-N 2 0 351.454 3.353 20 0 FGADRP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@@H]2[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCCC2 ZINC000423024212 500332243 /nfs/dbraw/zinc/33/22/43/500332243.db2.gz IRKWHHKMGOWCOU-LXDWIVHCSA-N 2 0 354.494 3.180 20 0 FGADRP Fc1ccccc1NCCC[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423038421 500333967 /nfs/dbraw/zinc/33/39/67/500333967.db2.gz YSZPBZVZYQAWFF-FPOVZHCZSA-N 2 0 355.457 3.473 20 0 FGADRP COC[C@@H](CCC[NH3+])[NH2+]Cc1nc2c(s1)C[C@H](c1ccccc1)CC2 ZINC000423043844 500334384 /nfs/dbraw/zinc/33/43/84/500334384.db2.gz ACXFOOOXOWICJZ-IAGOWNOFSA-N 2 0 359.539 3.259 20 0 FGADRP C[C@@H](CCC[NH3+])[NH2+]C1CCN(C(=O)c2ccccc2C(F)(F)F)CC1 ZINC000423050777 500335846 /nfs/dbraw/zinc/33/58/46/500335846.db2.gz MAQUUVXHXUTUIW-ZDUSSCGKSA-N 2 0 357.420 3.027 20 0 FGADRP COC(=O)c1csc(-c2cccc(C[NH2+][C@@H]3CCCCC[C@@H]3[NH3+])c2)n1 ZINC000423082206 500339823 /nfs/dbraw/zinc/33/98/23/500339823.db2.gz WMMNAMOKEHYHOO-JKSUJKDBSA-N 2 0 359.495 3.346 20 0 FGADRP CCOC(=O)C1([C@H](C)[NH2+][C@@H](C)c2ccccc2SC)CC[NH2+]CC1 ZINC000423095952 500341575 /nfs/dbraw/zinc/34/15/75/500341575.db2.gz GNIGXGJVFMQLLR-GJZGRUSLSA-N 2 0 350.528 3.381 20 0 FGADRP CC[NH+](CC)CC1CC[NH+]([C@H]2CCN(c3cccc(Cl)c3)C2=O)CC1 ZINC000426995485 500342535 /nfs/dbraw/zinc/34/25/35/500342535.db2.gz QPJADQONQXNBLW-IBGZPJMESA-N 2 0 363.933 3.499 20 0 FGADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@H]1CCCN(C(=O)Cc2ccccc2)C1 ZINC000423108213 500343161 /nfs/dbraw/zinc/34/31/61/500343161.db2.gz FSIWKNDEEGDSQU-NRSPTQNISA-N 2 0 357.542 3.121 20 0 FGADRP Clc1ccc(-c2ncc(C[NH2+][C@H](C3CC3)[C@@H]3CNCCO3)s2)cc1 ZINC000423112823 500344119 /nfs/dbraw/zinc/34/41/19/500344119.db2.gz YBGZMXRVJVMDHE-DLBZAZTESA-N 2 0 363.914 3.320 20 0 FGADRP CCOC(=O)C1([C@@H](C)[NH2+][C@H]2CCCc3c(F)cc(F)cc32)CC[NH2+]CC1 ZINC000423144518 500348051 /nfs/dbraw/zinc/34/80/51/500348051.db2.gz HHXJDFZMJAINIK-ACJLOTCBSA-N 2 0 366.452 3.253 20 0 FGADRP COc1cc(OC)c(C[C@@H](C)[NH2+][C@@H](C)c2ccc(C[NH3+])nc2C)c(OC)c1 ZINC000423151570 500348703 /nfs/dbraw/zinc/34/87/03/500348703.db2.gz CRQNZPGCMTWNCM-KGLIPLIRSA-N 2 0 373.497 3.156 20 0 FGADRP CCCOc1c(OC)cc(CC[NH2+][C@H]2CCCC[C@@H]2C[NH3+])cc1OC ZINC000423160200 500349646 /nfs/dbraw/zinc/34/96/46/500349646.db2.gz ZDSBMARTYGKUIT-SJORKVTESA-N 2 0 350.503 3.142 20 0 FGADRP FC(F)(F)c1ccc([C@@H]2CC[C@@H]([NH2+]CCCN3CC[NH2+]CC3)C2)cc1 ZINC000423176982 500352140 /nfs/dbraw/zinc/35/21/40/500352140.db2.gz DGFSBUVMGNNHAT-SJLPKXTDSA-N 2 0 355.448 3.226 20 0 FGADRP Cc1nc(-c2ccccc2F)sc1[C@@H](C)[NH2+]CCCN1CC[NH2+]CC1 ZINC000423187237 500353500 /nfs/dbraw/zinc/35/35/00/500353500.db2.gz XODTVLQCDFAMDL-CQSZACIVSA-N 2 0 362.518 3.204 20 0 FGADRP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CN[C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000423190541 500353613 /nfs/dbraw/zinc/35/36/13/500353613.db2.gz SAIRUQLSFGNMPB-RLLPEYFOSA-N 2 0 365.521 3.258 20 0 FGADRP C[C@H]([NH2+]CC[C@@H]1CC[NH2+]C1)c1ccc(F)c(I)c1 ZINC000423242797 500357932 /nfs/dbraw/zinc/35/79/32/500357932.db2.gz FWHKIQOEAPGDHZ-QWRGUYRKSA-N 2 0 362.230 3.081 20 0 FGADRP CC(C)[C@@H](C(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)[C@H](C)[NH3+] ZINC000423312623 500363064 /nfs/dbraw/zinc/36/30/64/500363064.db2.gz SDVGTIXIFFGMAO-KBXCAEBGSA-N 2 0 351.922 3.040 20 0 FGADRP C[C@H]([NH3+])c1ccc(C(=O)NCC(C)(C)[N@@H+]2CCc3ccccc3C2)cc1 ZINC000423332288 500364785 /nfs/dbraw/zinc/36/47/85/500364785.db2.gz QSJZDTCJFNOILL-INIZCTEOSA-N 2 0 351.494 3.273 20 0 FGADRP C[C@H]([NH3+])c1ccc(C(=O)Nc2ccccc2NC2CC[NH+](C)CC2)cc1 ZINC000423357762 500366725 /nfs/dbraw/zinc/36/67/25/500366725.db2.gz APRKJEMTZIHYOZ-HNNXBMFYSA-N 2 0 352.482 3.465 20 0 FGADRP COc1cccc(C[C@H](C)[NH2+][C@@H]2CNCC[C@H]2c2ccc(F)c(F)c2)n1 ZINC000423373287 500368181 /nfs/dbraw/zinc/36/81/81/500368181.db2.gz RUTRZRTVQPFBKN-IYJAJMOOSA-N 2 0 361.436 3.035 20 0 FGADRP Cc1ccc([C@H]([NH2+]C[C@H](N2CC[NH2+]CC2)C(F)(F)F)C2CCCC2)o1 ZINC000423374543 500368388 /nfs/dbraw/zinc/36/83/88/500368388.db2.gz CIFYVXSLJGJIEO-DLBZAZTESA-N 2 0 359.436 3.245 20 0 FGADRP C[C@H]([NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1cccc(C(F)(F)F)c1 ZINC000423392424 500369603 /nfs/dbraw/zinc/36/96/03/500369603.db2.gz QLGGCNPQMUWOMT-SMDDNHRTSA-N 2 0 369.353 3.192 20 0 FGADRP Cc1c2ccccc2oc1[C@@H](C)[NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000423404602 500371090 /nfs/dbraw/zinc/37/10/90/500371090.db2.gz ZWOONUQJBHZSEG-CZUORRHYSA-N 2 0 355.404 3.228 20 0 FGADRP C[C@@H]1C[C@H](N(C)C(=O)[C@@H]2[NH2+]CCCC2(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000423404993 500371231 /nfs/dbraw/zinc/37/12/31/500371231.db2.gz YOWWNYQBOZVJFZ-RLLQIKCJSA-N 2 0 357.542 3.276 20 0 FGADRP COCC1(C[NH2+][C@@H](C)Cc2ccc(F)cc2Br)CC[NH2+]CC1 ZINC000423410702 500371993 /nfs/dbraw/zinc/37/19/93/500371993.db2.gz SMCHIUXOYIPGRM-ZDUSSCGKSA-N 2 0 373.310 3.125 20 0 FGADRP COCC1(C[NH2+][C@H](c2cccnc2)c2ccc(F)cc2F)CC[NH2+]CC1 ZINC000423412946 500372155 /nfs/dbraw/zinc/37/21/55/500372155.db2.gz XSEMXENXXDQYCE-LJQANCHMSA-N 2 0 361.436 3.055 20 0 FGADRP c1ccc(C[N@@H+]2CC[C@H]([NH2+][C@@H]3C[C@H]3C3CC[NH2+]CC3)[C@H]3CCC[C@@H]32)cc1 ZINC000423445083 500375574 /nfs/dbraw/zinc/37/55/74/500375574.db2.gz XHGBFZJMZRHDMF-YSFPZDHXSA-N 3 0 353.554 3.407 20 0 FGADRP C[C@H](CCC[NH3+])[NH2+][C@@H](C)c1ccc(F)c(I)c1 ZINC000423448781 500375615 /nfs/dbraw/zinc/37/56/15/500375615.db2.gz FNHCZGZJLMCZGJ-ZJUUUORDSA-N 2 0 350.219 3.208 20 0 FGADRP CC[N@H+](CCNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1)CCC(F)(F)F ZINC000427272829 500376300 /nfs/dbraw/zinc/37/63/00/500376300.db2.gz DTHLEQCKZDGHGC-HNNXBMFYSA-N 2 0 363.468 3.032 20 0 FGADRP [NH3+]CCC[C@H]([NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ccccc1 ZINC000423504799 500379999 /nfs/dbraw/zinc/37/99/99/500379999.db2.gz HEPHEOMELMCTQB-JAXLGGSGSA-N 3 0 351.494 3.312 20 0 FGADRP C[C@H](CC(=O)N(C)c1ccccc1)[NH2+]CC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000423529896 500383267 /nfs/dbraw/zinc/38/32/67/500383267.db2.gz QLEGZBUECROABV-DUEJHXMNSA-N 2 0 355.526 3.171 20 0 FGADRP CC[C@H]([NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1)c1ccc(F)cn1 ZINC000423551545 500384515 /nfs/dbraw/zinc/38/45/15/500384515.db2.gz GCJMLBDCEIMVHA-IBGZPJMESA-N 2 0 356.489 3.255 20 0 FGADRP C[C@H]([NH2+]C1CCN(Cc2ccccn2)CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000419696435 500390158 /nfs/dbraw/zinc/39/01/58/500390158.db2.gz VEMHSOYASDBARV-RBUKOAKNSA-N 2 0 356.558 3.289 20 0 FGADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)[C@@]1(c2ccccc2)CC[NH2+]C1 ZINC000423738220 500398066 /nfs/dbraw/zinc/39/80/66/500398066.db2.gz FXZYKUMCUXUPHE-QHCPKHFHSA-N 2 0 365.521 3.028 20 0 FGADRP Cc1nc(-c2ccccc2)sc1NC(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000423786784 500401454 /nfs/dbraw/zinc/40/14/54/500401454.db2.gz BOGWSFBGFHUBGQ-UHFFFAOYSA-N 2 0 358.511 3.260 20 0 FGADRP CC(C)CC[NH+]1CCC(CNC(=O)NC[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000431651066 500403167 /nfs/dbraw/zinc/40/31/67/500403167.db2.gz HCLQERJKBNMWMZ-OAQYLSRUSA-N 2 0 374.573 3.347 20 0 FGADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)NCCC1CC[NH+](CC)CC1 ZINC000431687741 500409108 /nfs/dbraw/zinc/40/91/08/500409108.db2.gz RANLWBDMBASYNM-PMACEKPBSA-N 2 0 366.594 3.308 20 0 FGADRP [NH3+]CC1(C(=O)N2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)CCCC1 ZINC000423852472 500411904 /nfs/dbraw/zinc/41/19/04/500411904.db2.gz RQTOPSWCJMGPDG-UHFFFAOYSA-N 2 0 355.526 3.020 20 0 FGADRP [NH3+]C1CC[NH+](CCCC(=O)N2CCc3c2cccc3-c2ccccc2)CC1 ZINC000423903178 500418045 /nfs/dbraw/zinc/41/80/45/500418045.db2.gz QBVYIUSHHIQMDD-UHFFFAOYSA-N 2 0 363.505 3.446 20 0 FGADRP [NH3+][C@@H]1CCC[C@H]1CC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000423907636 500418639 /nfs/dbraw/zinc/41/86/39/500418639.db2.gz RONUYNURHYDODC-BURNTYAHSA-N 2 0 355.526 3.017 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)C[C@@H](c1ccccc1)[NH+](C)C ZINC000431830262 500430380 /nfs/dbraw/zinc/43/03/80/500430380.db2.gz JHKPEYRKIMGKRU-COPCDDAFSA-N 2 0 365.521 3.316 20 0 FGADRP [NH3+]CC1CC[NH+](Cc2ccnc(-c3ccc(Br)cc3)n2)CC1 ZINC000420278236 500432122 /nfs/dbraw/zinc/43/21/22/500432122.db2.gz VBWIEEWXRBLLKF-UHFFFAOYSA-N 2 0 361.287 3.077 20 0 FGADRP O=C(N[C@@H]1CCC[N@H+](CC[C@@H]2CC[NH2+]C2)C1)c1ccc2ccccc2c1 ZINC000420295019 500435814 /nfs/dbraw/zinc/43/58/14/500435814.db2.gz BUBDXPDCJUEEHC-LAUBAEHRSA-N 2 0 351.494 3.034 20 0 FGADRP O=C(Nc1ccc(F)cc1)[C@H](c1ccccc1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000420300647 500436776 /nfs/dbraw/zinc/43/67/76/500436776.db2.gz CWMJERMLTNTFIW-PZJWPPBQSA-N 2 0 353.441 3.191 20 0 FGADRP COc1ccc(-c2nc(C[N@@H+]3CCC[C@H](CC[NH3+])C3)cs2)cc1OC ZINC000420301642 500437499 /nfs/dbraw/zinc/43/74/99/500437499.db2.gz AQDVYSSIZQVQEJ-CQSZACIVSA-N 2 0 361.511 3.388 20 0 FGADRP COc1ccc([C@@H](C[NH3+])CN2CC[NH2+]C[C@@H]2c2cccc(Cl)c2)cc1 ZINC000420316259 500440197 /nfs/dbraw/zinc/44/01/97/500440197.db2.gz NARNIVCLGGGFLH-FXAWDEMLSA-N 2 0 359.901 3.037 20 0 FGADRP COc1ccc(-c2noc([C@@H](C)[NH+]3CCC([C@H]4CC[NH2+]C4)CC3)n2)cc1 ZINC000420318518 500440707 /nfs/dbraw/zinc/44/07/07/500440707.db2.gz QBKWZHJULPOASE-PBHICJAKSA-N 2 0 356.470 3.128 20 0 FGADRP CC[C@@H](C(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000424040434 500441726 /nfs/dbraw/zinc/44/17/26/500441726.db2.gz QLZMKCQOYNYOKQ-OAQYLSRUSA-N 2 0 365.521 3.290 20 0 FGADRP CCN(C(=O)C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1)[C@@H](C)c1ccc(F)cc1 ZINC000420333537 500443442 /nfs/dbraw/zinc/44/34/42/500443442.db2.gz HREKUMISZKMUSN-OXJNMPFZSA-N 2 0 361.505 3.199 20 0 FGADRP CCOc1ccccc1[C@H](CC)NC(=O)C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000420334615 500443516 /nfs/dbraw/zinc/44/35/16/500443516.db2.gz JMLSLHAZDYXIOZ-PMACEKPBSA-N 2 0 373.541 3.117 20 0 FGADRP [NH3+]C[C@@H]1C[N@H+](CCOc2cc(Cl)ccc2Cl)CC12CCOCC2 ZINC000420332543 500443574 /nfs/dbraw/zinc/44/35/74/500443574.db2.gz RVSHZWGKIWFOMC-CYBMUJFWSA-N 2 0 359.297 3.060 20 0 FGADRP C[C@H](C(=O)N[C@@H](C)c1ccc(Cl)cc1)[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000420342411 500444997 /nfs/dbraw/zinc/44/49/97/500444997.db2.gz PINZQJHCEYHOND-QMTMVMCOSA-N 2 0 363.933 3.370 20 0 FGADRP CC(C)C[C@H](NC(=O)C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1)c1ccccc1 ZINC000420344825 500445640 /nfs/dbraw/zinc/44/56/40/500445640.db2.gz USNVSMAGTGMPDG-SFTDATJTSA-N 2 0 357.542 3.354 20 0 FGADRP Cc1ccc(-c2cnc(C[NH+]3CCC([C@H]4C[C@@H]([NH3+])CCO4)CC3)o2)cc1 ZINC000420389047 500453295 /nfs/dbraw/zinc/45/32/95/500453295.db2.gz LWFWNTRYXLIEHE-RBUKOAKNSA-N 2 0 355.482 3.368 20 0 FGADRP Cc1cccc(N2CC[NH+](CCCC[NH2+]Cc3cncn3C(C)C)CC2)c1 ZINC000424135386 500458971 /nfs/dbraw/zinc/45/89/71/500458971.db2.gz PCXKLYAIDZCTFF-UHFFFAOYSA-N 2 0 369.557 3.464 20 0 FGADRP CC(C)n1cncc1C[NH2+]CCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000424139986 500459634 /nfs/dbraw/zinc/45/96/34/500459634.db2.gz VXTCNWWKYNUOJS-UHFFFAOYSA-N 2 0 369.557 3.152 20 0 FGADRP O[C@@H]1CCC[C@@H]1[NH+]1CCC([NH2+][C@H](Cc2ccncc2)c2cccs2)CC1 ZINC000424277795 500480403 /nfs/dbraw/zinc/48/04/03/500480403.db2.gz CLEYLONGLSAQJK-HSALFYBXSA-N 2 0 371.550 3.394 20 0 FGADRP COc1ccc(Cl)cc1NC(=O)CC[N@@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424283330 500480905 /nfs/dbraw/zinc/48/09/05/500480905.db2.gz BJSIHXVTJYWLDU-AWEZNQCLSA-N 2 0 365.905 3.141 20 0 FGADRP CN(C)CC[NH+]1CCC(C[NH2+][C@H](Cc2ccncc2)c2cccs2)CC1 ZINC000424293198 500482758 /nfs/dbraw/zinc/48/27/58/500482758.db2.gz CQGQEIAETPGVTH-HXUWFJFHSA-N 2 0 372.582 3.290 20 0 FGADRP C[C@@H]1CC2(C[N@@H+]1Cc1cnc3ccc(Br)cn13)CC[NH2+]CC2 ZINC000424370334 500492413 /nfs/dbraw/zinc/49/24/13/500492413.db2.gz CEPSFIKFRRUVRT-CYBMUJFWSA-N 2 0 363.303 3.061 20 0 FGADRP COC(=O)c1cc2c(o1)c(OC)ccc2C[N@@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424368909 500492580 /nfs/dbraw/zinc/49/25/80/500492580.db2.gz ARTNNJFLTFTAKX-AWEZNQCLSA-N 2 0 372.465 3.192 20 0 FGADRP C[C@H](CCC[NH3+])[NH2+]Cc1cc(Cl)cc(I)c1 ZINC000424367960 500492616 /nfs/dbraw/zinc/49/26/16/500492616.db2.gz AIDCDMHGTUYUIW-SECBINFHSA-N 2 0 352.647 3.162 20 0 FGADRP COc1cc(C[N@@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)c(SC)cc1OC ZINC000424380505 500494424 /nfs/dbraw/zinc/49/44/24/500494424.db2.gz PSIKRTMCHOXLCJ-CQSZACIVSA-N 2 0 350.528 3.390 20 0 FGADRP CC(C)c1ncc(CN(C)C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)s1 ZINC000428438623 500509844 /nfs/dbraw/zinc/50/98/44/500509844.db2.gz KKGHIXWSWWTUJK-HXUWFJFHSA-N 2 0 359.539 3.335 20 0 FGADRP CC(C)(CO)[C@H]([NH2+]Cc1ccc(CN2CCOCC2)cc1)c1ccccc1 ZINC000420923402 500531144 /nfs/dbraw/zinc/53/11/44/500531144.db2.gz QAPHRIPWZVODCJ-JOCHJYFZSA-N 2 0 368.521 3.368 20 0 FGADRP C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)NCC[NH+]1CCC2(CCCCC2)CC1 ZINC000442625770 500605481 /nfs/dbraw/zinc/60/54/81/500605481.db2.gz OXOCPLRBKYUSDW-RBUKOAKNSA-N 2 0 364.578 3.014 20 0 FGADRP CNC(=O)C1CCC([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC000447540689 500621179 /nfs/dbraw/zinc/62/11/79/500621179.db2.gz KFJCUODRQDYMBY-ZHLPAPNQSA-N 2 0 355.526 3.076 20 0 FGADRP Cc1ccc(-c2noc(CCC[N@@H+](C)C3C[C@H]4CC[C@@H](C3)[NH2+]4)n2)cc1F ZINC000442790823 500626009 /nfs/dbraw/zinc/62/60/09/500626009.db2.gz MHTYHOAFUQHAME-SJPCQFCGSA-N 2 0 358.461 3.332 20 0 FGADRP C[NH+](C)[C@H](CC(=O)NC1CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000433110902 500628088 /nfs/dbraw/zinc/62/80/88/500628088.db2.gz CUALCZYAGCJZPE-JOCHJYFZSA-N 2 0 365.521 3.460 20 0 FGADRP CC(C)OCC[C@@H](O)C[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433128206 500631574 /nfs/dbraw/zinc/63/15/74/500631574.db2.gz WEWZJBJCWXZYTI-OAQYLSRUSA-N 2 0 360.542 3.151 20 0 FGADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)CCC[NH+]2CCC([NH3+])CC2)cc1 ZINC000433135600 500632980 /nfs/dbraw/zinc/63/29/80/500632980.db2.gz JPMJFLQXJRWEQM-SFHVURJKSA-N 3 0 372.557 3.203 20 0 FGADRP [NH3+]C1CC[NH+](CCCC(=O)NCc2ccc(OC3CCCCC3)cc2)CC1 ZINC000433139444 500633651 /nfs/dbraw/zinc/63/36/51/500633651.db2.gz AZLPWKHMAGIMBA-UHFFFAOYSA-N 2 0 373.541 3.218 20 0 FGADRP [NH3+]C1CC[NH+](CCCC(=O)Nc2cnccc2Oc2ccccc2)CC1 ZINC000433144706 500634464 /nfs/dbraw/zinc/63/44/64/500634464.db2.gz NHIQUGFEBGITDU-UHFFFAOYSA-N 2 0 354.454 3.016 20 0 FGADRP C[C@@H](NC(=O)CCC[NH+]1CCC([NH3+])CC1)c1ccc(Cl)c(Cl)c1 ZINC000433146696 500635229 /nfs/dbraw/zinc/63/52/29/500635229.db2.gz WEIGBNORAYPWIE-GFCCVEGCSA-N 2 0 358.313 3.374 20 0 FGADRP C[NH+](C)Cc1ccccc1C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000433162288 500637585 /nfs/dbraw/zinc/63/75/85/500637585.db2.gz UENCNYNGINRRJR-SFHVURJKSA-N 2 0 357.523 3.377 20 0 FGADRP CN(CC1CC[NH+](C)CC1)C(=O)[C@@]12CCC[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000442953730 500652750 /nfs/dbraw/zinc/65/27/50/500652750.db2.gz BQFRJOUSOSAUBP-FYYLOGMGSA-N 2 0 369.553 3.089 20 0 FGADRP CCc1ccccc1[C@@H]([NH3+])CNC(=O)c1oc2ccccc2c1C[NH+](C)C ZINC000573562696 506212531 /nfs/dbraw/zinc/21/25/31/506212531.db2.gz CWRWWWZNSUCXIV-IBGZPJMESA-N 2 0 365.477 3.487 20 0 FGADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)NC[C@@H]2CCC[NH+]2C2CCCCC2)C1 ZINC000437776806 500693843 /nfs/dbraw/zinc/69/38/43/500693843.db2.gz PXYYIDPNUWQEAU-QUCCMNQESA-N 2 0 364.578 3.061 20 0 FGADRP CC(C)N1CCC[C@H]([N@H+](Cc2ccsc2)[C@@H]2CC23CC[NH2+]CC3)C1=O ZINC000447947779 500694440 /nfs/dbraw/zinc/69/44/40/500694440.db2.gz IBZMJFXGTJLDCQ-ZWKOTPCHSA-N 2 0 361.555 3.092 20 0 FGADRP Cc1ccc([C@@H](CNC(=O)NC[C@H]2CCC[N@@H+](CC(C)C)C2)[NH+](C)C)cc1 ZINC000448215801 500733887 /nfs/dbraw/zinc/73/38/87/500733887.db2.gz ZTRHTDICBWLALF-TZIWHRDSSA-N 2 0 374.573 3.265 20 0 FGADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)N(C)[C@H]1CC[NH+](CC)C[C@@H]1C ZINC000448519242 500767088 /nfs/dbraw/zinc/76/70/88/500767088.db2.gz CJECOLLCWWUJNZ-OTWHNJEPSA-N 2 0 352.567 3.013 20 0 FGADRP O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000433940269 500768216 /nfs/dbraw/zinc/76/82/16/500768216.db2.gz KQCJJHVFCYFDLG-LEWJYISDSA-N 2 0 370.541 3.140 20 0 FGADRP O=C(NC[C@@H]1CCC[N@@H+]1C1CCCCC1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000438329023 500770779 /nfs/dbraw/zinc/77/07/79/500770779.db2.gz OXFMLAQFOXFUNQ-PMACEKPBSA-N 2 0 362.562 3.053 20 0 FGADRP O=C(NC[C@@H]1CCC[N@@H+]1C1CCCCC1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000438344373 500773930 /nfs/dbraw/zinc/77/39/30/500773930.db2.gz GZYQDZGMEULNLB-VQTJNVASSA-N 2 0 362.562 3.053 20 0 FGADRP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000438348435 500774386 /nfs/dbraw/zinc/77/43/86/500774386.db2.gz XKLCFBPEXLTDNB-FXAWDEMLSA-N 2 0 364.578 3.155 20 0 FGADRP CCO[C@H]1C[C@@]([NH3+])(C(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)C1(C)C ZINC000444162498 500811974 /nfs/dbraw/zinc/81/19/74/500811974.db2.gz AWMSDHGKXONQJB-SIKLNZKXSA-N 2 0 373.541 3.186 20 0 FGADRP COc1cc(F)cc(C[NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)c1 ZINC000449061938 500915196 /nfs/dbraw/zinc/91/51/96/500915196.db2.gz XIFOTSKBWIKORY-UHFFFAOYSA-N 2 0 358.457 3.081 20 0 FGADRP CCN1CC[NH+](CCCC[NH2+]Cc2cc3ccccc3cc2OC)CC1 ZINC000449075291 500918937 /nfs/dbraw/zinc/91/89/37/500918937.db2.gz DPZHGHKHYWGWHD-UHFFFAOYSA-N 2 0 355.526 3.356 20 0 FGADRP CC[NH+]1CCN(c2ccc(C[NH2+]C3CCC(CSC)CC3)cn2)CC1 ZINC000449081445 500920072 /nfs/dbraw/zinc/92/00/72/500920072.db2.gz FHVKASWFSNGQIG-UHFFFAOYSA-N 2 0 362.587 3.235 20 0 FGADRP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]CCNC(=O)c2cccs2)CC1 ZINC000449089904 500922392 /nfs/dbraw/zinc/92/23/92/500922392.db2.gz LSQDRMGHTTUVIL-KRWDZBQOSA-N 2 0 371.550 3.163 20 0 FGADRP C[NH+](C)CCOc1cccc(C[NH2+]Cc2ccc3c(c2)OCCCCO3)c1 ZINC000449092855 500922853 /nfs/dbraw/zinc/92/28/53/500922853.db2.gz VKVJNBKHRJHLQQ-UHFFFAOYSA-N 2 0 370.493 3.468 20 0 FGADRP C[C@@H]([NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1)[C@@H]1CCCC[C@H]1C ZINC000449120163 500929671 /nfs/dbraw/zinc/92/96/71/500929671.db2.gz CBFSKGMQMOKVDL-VAMGGRTRSA-N 2 0 359.562 3.183 20 0 FGADRP CCn1nnc(C)c1C[NH2+]CC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000449128137 500931292 /nfs/dbraw/zinc/93/12/92/500931292.db2.gz RMDSODVJZMLKPH-UHFFFAOYSA-N 2 0 361.921 3.262 20 0 FGADRP C[NH2+][C@H](CC(C)(C)C)C(=O)NCC[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000449169816 500939892 /nfs/dbraw/zinc/93/98/92/500939892.db2.gz PLTMEHGCUQUCIP-DFQSSKMNSA-N 2 0 359.558 3.428 20 0 FGADRP COc1ccc(C[N@@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)cc1OCc1cccnc1 ZINC000435384222 500964830 /nfs/dbraw/zinc/96/48/30/500964830.db2.gz LNYLTJZOOHPFGV-VQIMIIECSA-N 2 0 355.482 3.228 20 0 FGADRP COc1ccc(OCc2ccccn2)c(CN2CCC[C@@H]([C@@H](C)[NH3+])C2)c1 ZINC000435386720 500965182 /nfs/dbraw/zinc/96/51/82/500965182.db2.gz VJKODEARUBKZSO-IAGOWNOFSA-N 2 0 355.482 3.228 20 0 FGADRP Cc1ncsc1CN(Cc1cnc2c(C)cccn12)C[C@H]1CC[NH2+]C1 ZINC000435426164 500972398 /nfs/dbraw/zinc/97/23/98/500972398.db2.gz GVMCPVYTNOKFSN-INIZCTEOSA-N 2 0 355.511 3.019 20 0 FGADRP CC(C)Cc1ncc(CN(Cc2nccn2C)[C@@H]2CC23CC[NH2+]CC3)s1 ZINC000435426401 500972454 /nfs/dbraw/zinc/97/24/54/500972454.db2.gz HWGPGCCASPNRHR-QGZVFWFLSA-N 2 0 373.570 3.219 20 0 FGADRP COc1cc(C[N@H+](C)CCN(C)C2CC[NH+](C)CC2)cc2ccccc21 ZINC000449326197 500978536 /nfs/dbraw/zinc/97/85/36/500978536.db2.gz SZWJLTXWSCLZNH-UHFFFAOYSA-N 2 0 355.526 3.306 20 0 FGADRP CSCC1CCC([NH2+]Cc2ccncc2OCCC[NH+](C)C)CC1 ZINC000449331091 500979903 /nfs/dbraw/zinc/97/99/03/500979903.db2.gz XGGLVMWWIKPFEB-UHFFFAOYSA-N 2 0 351.560 3.424 20 0 FGADRP C[C@H](CCNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)[NH+](C)Cc1ccccc1 ZINC000440272027 500993127 /nfs/dbraw/zinc/99/31/27/500993127.db2.gz TVMINCPKRFQLFF-WIYYLYMNSA-N 2 0 357.542 3.420 20 0 FGADRP CCC[NH+]1CCN(c2ccccc2C[N@@H+]2CC[C@@H](OCC)[C@H](C)C2)CC1 ZINC000449491488 501015801 /nfs/dbraw/zinc/01/58/01/501015801.db2.gz HCCWTKQUPVYVAK-DENIHFKCSA-N 2 0 359.558 3.466 20 0 FGADRP CC[N@@H+]1CC[C@H]([NH2+][C@H]2CCc3nc(-c4ccc(F)cc4F)cn3C2)[C@H](C)C1 ZINC000449547585 501029762 /nfs/dbraw/zinc/02/97/62/501029762.db2.gz IXBKFLRCUNGAEW-ALKREAHSSA-N 2 0 374.479 3.463 20 0 FGADRP CCC[NH+]1CCN(c2ccccc2C[N@@H+]2CC[C@@H]3C[C@@H](O)CC[C@H]3C2)CC1 ZINC000449550157 501030774 /nfs/dbraw/zinc/03/07/74/501030774.db2.gz CJKKCSKMVBEBNP-URVUXULASA-N 2 0 371.569 3.202 20 0 FGADRP CCC[NH+]1CCN(c2ccccc2C[N@@H+]2CC[C@H](O)CC(C)(C)C2)CC1 ZINC000449615786 501043734 /nfs/dbraw/zinc/04/37/34/501043734.db2.gz ABLSBFSYVUPKKB-FQEVSTJZSA-N 2 0 359.558 3.202 20 0 FGADRP C[C@@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+][C@@H]1CCO[C@@H](c2ccccn2)C1 ZINC000449613905 501043782 /nfs/dbraw/zinc/04/37/82/501043782.db2.gz DQFPTMGALDMOSD-CMCXCUNFSA-N 2 0 351.494 3.412 20 0 FGADRP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1sc2ccccc2c1Cl ZINC000436053611 501063643 /nfs/dbraw/zinc/06/36/43/501063643.db2.gz OKZXENGBAHKKMH-ZDUSSCGKSA-N 2 0 365.930 3.374 20 0 FGADRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2ccc(Br)c(C)c2)CC1 ZINC000449747881 501074962 /nfs/dbraw/zinc/07/49/62/501074962.db2.gz YPZATDCAEHECJF-UHFFFAOYSA-N 2 0 368.363 3.263 20 0 FGADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@@H]2CCO[C@@H](c3nccn3C)C2)CC1 ZINC000449781068 501085179 /nfs/dbraw/zinc/08/51/79/501085179.db2.gz ZGSFFTSCYWFIOP-RSPOEFSDSA-N 2 0 360.546 3.273 20 0 FGADRP CC[NH+]1CCN(c2ccc(C[NH2+]CC3(CCOC)CCCCC3)cn2)CC1 ZINC000436268921 501098859 /nfs/dbraw/zinc/09/88/59/501098859.db2.gz INFGQEQEEGZICN-UHFFFAOYSA-N 2 0 374.573 3.300 20 0 FGADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2CCc1cccc(OC(F)(F)F)c1 ZINC000441248808 501108138 /nfs/dbraw/zinc/10/81/38/501108138.db2.gz AZCXZINDFMOSPM-NXHRZFHOSA-N 2 0 372.431 3.311 20 0 FGADRP Cc1cc(C[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)c(OC(F)F)cc1C ZINC000441348229 501124162 /nfs/dbraw/zinc/12/41/62/501124162.db2.gz MMLJUBZOFWELKW-UHFFFAOYSA-N 2 0 355.473 3.020 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccc2ccccc2c1O ZINC000436531100 501149147 /nfs/dbraw/zinc/14/91/47/501149147.db2.gz DNTYEPVHJPONLA-GOSISDBHSA-N 2 0 369.509 3.034 20 0 FGADRP C[C@H](c1ccccc1)[C@H](O)C[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000450640440 501173292 /nfs/dbraw/zinc/17/32/92/501173292.db2.gz MDPJSPKMELDCSK-XMSQKQJNSA-N 2 0 353.510 3.394 20 0 FGADRP COc1ccc([C@@H](CCn2cncn2)[NH2+]CC2(C[NH+](C)C)CCCC2)cc1 ZINC000446881979 501176812 /nfs/dbraw/zinc/17/68/12/501176812.db2.gz YECHXXNHWNUFPS-HXUWFJFHSA-N 2 0 371.529 3.130 20 0 FGADRP Cc1ncsc1C[N@H+](C)C[C@H]1CCN(CC[NH+](C)Cc2ccccc2)C1 ZINC000450875727 501222470 /nfs/dbraw/zinc/22/24/70/501222470.db2.gz NXHHBZFXNSGXIV-HXUWFJFHSA-N 2 0 372.582 3.337 20 0 FGADRP C[NH+](Cc1cc(Cl)cc(C[N@@H+](C)[C@@H]2CCC[C@H]2O)c1)[C@@H]1CCC[C@H]1O ZINC000450983497 501237001 /nfs/dbraw/zinc/23/70/01/501237001.db2.gz YJTFNXBPWXWSOU-UAFMIMERSA-N 2 0 366.933 3.030 20 0 FGADRP CC1(C)OCC[C@H]1[NH2+]Cc1cc(C[NH2+][C@H]2CCOC2(C)C)ccc1F ZINC000451243121 501254465 /nfs/dbraw/zinc/25/44/65/501254465.db2.gz OXDCBXPQUHXLIC-ZWKOTPCHSA-N 2 0 350.478 3.140 20 0 FGADRP NC(=O)[C@H]1CCC[N@H+](Cc2cccc(C[NH2+][C@@H](C3CC3)C3CCC3)c2)C1 ZINC000453109349 501271274 /nfs/dbraw/zinc/27/12/74/501271274.db2.gz MHVYLSILEQZIHO-LEWJYISDSA-N 2 0 355.526 3.052 20 0 FGADRP CC[NH+](CC)Cc1cccc(CNC(=O)N2CC[N@@H+](C3CC3)C[C@@H](C)C2)c1 ZINC000457652761 501278179 /nfs/dbraw/zinc/27/81/79/501278179.db2.gz AVXDANCKCVMDTQ-GOSISDBHSA-N 2 0 372.557 3.154 20 0 FGADRP CCC(=O)N1CC[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)C1 ZINC000453153532 501280445 /nfs/dbraw/zinc/28/04/45/501280445.db2.gz VFPKNHGVKDDFBW-DOIPELPJSA-N 2 0 355.526 3.030 20 0 FGADRP C[C@H]([NH2+]CCc1ccc(OCC[NH+]2C[C@H](C)[C@@H](C)C2)cc1)c1cn[nH]c1 ZINC000453158692 501281206 /nfs/dbraw/zinc/28/12/06/501281206.db2.gz BTLGMPHFPJHVGS-BZSNNMDCSA-N 2 0 356.514 3.270 20 0 FGADRP C[C@](O)(C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@H]21)C(F)(F)F ZINC000453165137 501282724 /nfs/dbraw/zinc/28/27/24/501282724.db2.gz AYWSDXRCCICYDY-MHORFTMASA-N 2 0 356.432 3.333 20 0 FGADRP CN(C)c1nccc(CN[C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)n1 ZINC000453167454 501283180 /nfs/dbraw/zinc/28/31/80/501283180.db2.gz RPUXVDFAFJUAEI-HBMCJLEFSA-N 2 0 365.525 3.075 20 0 FGADRP Cc1cnc(CC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)nc1 ZINC000453179890 501286358 /nfs/dbraw/zinc/28/63/58/501286358.db2.gz PPQOVOHSAFZTKM-NJDAHSKKSA-N 2 0 350.510 3.360 20 0 FGADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+][C@@H]1CCc2nc(-c3ccc(F)cc3F)cn2C1 ZINC000453380065 501322379 /nfs/dbraw/zinc/32/23/79/501322379.db2.gz ZMDUYSGSQBWCDU-UMHPPVOVSA-N 2 0 374.479 3.461 20 0 FGADRP CC[C@@H]([NH2+][C@H](CCC[NH+]1CCC(C)CC1)c1ccc(F)cc1)C(=O)NC ZINC000453396222 501324052 /nfs/dbraw/zinc/32/40/52/501324052.db2.gz HINOYXIOWZCDSV-WOJBJXKFSA-N 2 0 363.521 3.493 20 0 FGADRP CO[C@@H]1CC[N@H+](Cc2ccccc2C[NH+]2CC[C@H](OC)[C@H](C)C2)C[C@@H]1C ZINC000451578751 501329540 /nfs/dbraw/zinc/32/95/40/501329540.db2.gz XMFRYLPFQOCPOO-MTIDIVMFSA-N 2 0 360.542 3.400 20 0 FGADRP CC(C)[NH+]1CCC(O)(C[NH2+]Cc2ccc(C(=O)OC(C)(C)C)s2)CC1 ZINC000598970175 506253319 /nfs/dbraw/zinc/25/33/19/506253319.db2.gz ZELBQODTWIMUTN-UHFFFAOYSA-N 2 0 368.543 3.028 20 0 FGADRP O=C(NCCCCC[NH+]1CCCC1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000454158894 501472791 /nfs/dbraw/zinc/47/27/91/501472791.db2.gz ZEDMDFHXDKXIEJ-UHFFFAOYSA-N 2 0 372.557 3.216 20 0 FGADRP CC(C)[NH+]1CCC(NC(=O)N2CC[N@H+](Cc3ccccc3)C[C@H](C)C2)CC1 ZINC000454190242 501478943 /nfs/dbraw/zinc/47/89/43/501478943.db2.gz IJZCSLLSCOBNFC-IBGZPJMESA-N 2 0 372.557 3.023 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)NC1CC[NH+](C2CCC2)CC1)c1ccccc1 ZINC000454195303 501479943 /nfs/dbraw/zinc/47/99/43/501479943.db2.gz PWQODJWAJLXQEC-OAQYLSRUSA-N 2 0 372.557 3.386 20 0 FGADRP C[C@H](NC(=O)NCCCCC[NH+]1CCCC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000458638177 501495410 /nfs/dbraw/zinc/49/54/10/501495410.db2.gz SUVOQNITOBGVMO-OALUTQOASA-N 2 0 364.578 3.205 20 0 FGADRP CCOC[C@@H](O)C[N@@H+]1CC(C)(C)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000453007308 501599745 /nfs/dbraw/zinc/59/97/45/501599745.db2.gz CWZMYCRQJSWZSP-SFTDATJTSA-N 2 0 360.542 3.006 20 0 FGADRP O=C(NCCCCC[NH+]1CCCC1)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000454878304 501647998 /nfs/dbraw/zinc/64/79/98/501647998.db2.gz WSHRPYPYCJJJLC-NRFANRHFSA-N 2 0 372.557 3.074 20 0 FGADRP c1cc(OCC[NH+]2CCCC2)ccc1C[NH2+]Cc1cnc(C2CC2)nc1 ZINC000459418367 501650275 /nfs/dbraw/zinc/65/02/75/501650275.db2.gz VKJJOTILPMSVPI-UHFFFAOYSA-N 2 0 352.482 3.118 20 0 FGADRP Cc1cc(C[NH2+]CCc2ccc(OCC[N@H+]3C[C@H](C)[C@H](C)C3)cc2)no1 ZINC000459457648 501657443 /nfs/dbraw/zinc/65/74/43/501657443.db2.gz GMJYVHRNFPNOKR-CALCHBBNSA-N 2 0 357.498 3.282 20 0 FGADRP CC1(c2ccccc2)CC([NH2+]Cc2ccccc2C[N@@H+]2CC[C@@H](O)C2)C1 ZINC000459469377 501658932 /nfs/dbraw/zinc/65/89/32/501658932.db2.gz SCOHMZZZMISWQU-OOMBGRCJSA-N 2 0 350.506 3.463 20 0 FGADRP CCOc1cc(C[N@H+](C)C[C@@H]2CCCN(C)[C@H]2c2cnn(C)c2)ccc1O ZINC000459485401 501661889 /nfs/dbraw/zinc/66/18/89/501661889.db2.gz IVWJYSIEWNQZTG-LAUBAEHRSA-N 2 0 372.513 3.039 20 0 FGADRP C[NH+](C)CCN(Cc1ccsc1)C(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000457413407 501694758 /nfs/dbraw/zinc/69/47/58/501694758.db2.gz CJVFVVQLAGBHRU-IBGZPJMESA-N 2 0 374.554 3.124 20 0 FGADRP CC[C@@H](C)[NH+]1CCN(C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)CC1 ZINC000457488426 501708541 /nfs/dbraw/zinc/70/85/41/501708541.db2.gz KAULMBKUJYCJPV-IAGOWNOFSA-N 2 0 364.559 3.011 20 0 FGADRP CC[C@@H]1C[N@H+](CC)CCN1C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000457495791 501710564 /nfs/dbraw/zinc/71/05/64/501710564.db2.gz ROQZZRUHQMFRHF-SJORKVTESA-N 2 0 364.559 3.011 20 0 FGADRP CC[NH+](CC)Cc1ccc(CNC(=O)N(C)[C@@H]2CC[N@@H+](C(C)C)C2)cc1 ZINC000457536328 501718349 /nfs/dbraw/zinc/71/83/49/501718349.db2.gz VIAYPAJCHXIQLB-HXUWFJFHSA-N 2 0 360.546 3.153 20 0 FGADRP [NH3+]CC1(CC(=O)NCc2ccc(OCC[NH+]3CCCC3)cc2)CCCCC1 ZINC000463493077 501741167 /nfs/dbraw/zinc/74/11/67/501741167.db2.gz SSCXQKRQSLVBKZ-UHFFFAOYSA-N 2 0 373.541 3.077 20 0 FGADRP C[NH+](C)C1(CNC(=O)N2CCC([NH+]3CCCCC3)CC2)CCCCCC1 ZINC000611717640 506272347 /nfs/dbraw/zinc/27/23/47/506272347.db2.gz CFHFTXIYXPFXEH-UHFFFAOYSA-N 2 0 364.578 3.301 20 0 FGADRP Cc1cc(C[NH2+][C@H]2CC[N@@H+](C)C[C@@H]2C)ccc1I ZINC000467373203 501779757 /nfs/dbraw/zinc/77/97/57/501779757.db2.gz KDMSIPYXOUPOIX-WFASDCNBSA-N 2 0 358.267 3.029 20 0 FGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000467383513 501783089 /nfs/dbraw/zinc/78/30/89/501783089.db2.gz UANSEZDTQAJCMT-IAGOWNOFSA-N 2 0 371.491 3.500 20 0 FGADRP C[C@H](C[NH+]1CCCCC1)NC(=O)N(C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000470758276 501793980 /nfs/dbraw/zinc/79/39/80/501793980.db2.gz WDYVGTHCHNRCFX-TZIWHRDSSA-N 2 0 372.557 3.167 20 0 FGADRP COCC[N@H+](C)CCCC1CC[NH+](Cc2cn(C(C)C)nc2C)CC1 ZINC000467444976 501796814 /nfs/dbraw/zinc/79/68/14/501796814.db2.gz XZWMOIVFMLCGHF-UHFFFAOYSA-N 2 0 350.551 3.343 20 0 FGADRP CCN1C[C@@H](C)[C@H]([NH2+]Cc2cccc(-c3nc(C(=O)OC)cs3)c2)C1 ZINC000477849882 501807583 /nfs/dbraw/zinc/80/75/83/501807583.db2.gz BNDZGRRHUXGWRL-CZUORRHYSA-N 2 0 359.495 3.027 20 0 FGADRP CC[NH+](CC)C[C@@H]1CC[N@H+](CCC(=O)Nc2ccc(OC)c(Cl)c2)C1 ZINC000485422416 501816708 /nfs/dbraw/zinc/81/67/08/501816708.db2.gz JUUHUUDCFYSUFD-HNNXBMFYSA-N 2 0 367.921 3.341 20 0 FGADRP CCC(C)(C)NC(=O)C[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000485492636 501837540 /nfs/dbraw/zinc/83/75/40/501837540.db2.gz NRNJSPIJPSHFFD-UHFFFAOYSA-N 2 0 357.542 3.279 20 0 FGADRP C[NH+](C)CC1(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)CCCCC1 ZINC000460507317 501842718 /nfs/dbraw/zinc/84/27/18/501842718.db2.gz KIQKGSLMGDUEGP-UHFFFAOYSA-N 2 0 357.542 3.279 20 0 FGADRP O=C(NC1CC([NH+]2CCCCC2)C1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000474497004 501856880 /nfs/dbraw/zinc/85/68/80/501856880.db2.gz NCRZIWKYYSPMAR-UHFFFAOYSA-N 2 0 362.562 3.100 20 0 FGADRP CCC[N@H+](CC)C[C@H](C)NC(=O)N[C@H](C)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000460647454 501884848 /nfs/dbraw/zinc/88/48/48/501884848.db2.gz HULRIERMGNHXIF-RCCFBDPRSA-N 2 0 352.567 3.059 20 0 FGADRP OC1CC[NH+](Cc2ccc(C[NH2+][C@@H]3CCC[C@@H]([C@@H]4CCOC4)C3)cc2)CC1 ZINC000464071304 501890437 /nfs/dbraw/zinc/89/04/37/501890437.db2.gz XAVZJAPGKLAIBJ-YPAWHYETSA-N 2 0 372.553 3.328 20 0 FGADRP CCN(CCC[N@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1)CC(F)(F)F ZINC000471012941 501891297 /nfs/dbraw/zinc/89/12/97/501891297.db2.gz TWABXZBZFOKKNY-KDURUIRLSA-N 2 0 369.475 3.325 20 0 FGADRP CCC(CC)[C@@H](CNC(=O)N[C@H](c1nccn1C)C1CC1)[NH+]1CCCC1 ZINC000478168538 501898789 /nfs/dbraw/zinc/89/87/89/501898789.db2.gz DBSVVQOWQSSRLH-MSOLQXFVSA-N 2 0 361.534 3.071 20 0 FGADRP CC[NH+]1CCN(CCC[NH2+][C@@H](C)Cc2ccccc2C(F)(F)F)CC1 ZINC000481917086 501917482 /nfs/dbraw/zinc/91/74/82/501917482.db2.gz OZLYEXKZJBWSPL-INIZCTEOSA-N 2 0 357.464 3.254 20 0 FGADRP CC(C)C[C@H](CNC(=O)NCC1CC[NH+](C)CC1)[NH2+][C@@H](C)c1ccccc1 ZINC000468024629 501933341 /nfs/dbraw/zinc/93/33/41/501933341.db2.gz BJBAQRPMXITGCZ-GHTZIAJQSA-N 2 0 374.573 3.393 20 0 FGADRP CC(C)[C@H]1CCC[C@@H]([NH2+]CCCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC000474732286 501936126 /nfs/dbraw/zinc/93/61/26/501936126.db2.gz UVJKIPMPBFKYMY-VQTJNVASSA-N 2 0 359.562 3.183 20 0 FGADRP CC[C@@]1(C)CC[N@@H+]([C@@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000468113665 501961451 /nfs/dbraw/zinc/96/14/51/501961451.db2.gz QBPRBKDWTZPADC-AVRDEDQJSA-N 2 0 357.542 3.278 20 0 FGADRP CN(C(=O)NCC(C)(C)C[NH+]1CCCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000478408688 501971271 /nfs/dbraw/zinc/97/12/71/501971271.db2.gz VSOKVJQERRWSIR-HXUWFJFHSA-N 2 0 372.557 3.024 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Cc1cccc(C(F)F)c1 ZINC000468285217 502015630 /nfs/dbraw/zinc/01/56/30/502015630.db2.gz JDURGPXMVDRENF-SFHVURJKSA-N 2 0 367.484 3.041 20 0 FGADRP CCCN(CCC[NH+](C)C)C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000468425465 502055629 /nfs/dbraw/zinc/05/56/29/502055629.db2.gz AAJBVPINIMWUHZ-UHFFFAOYSA-N 2 0 360.546 3.156 20 0 FGADRP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N(C)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000475129612 502070696 /nfs/dbraw/zinc/07/06/96/502070696.db2.gz KHKDEOIMWJBTJH-SFHLNBCPSA-N 2 0 372.557 3.023 20 0 FGADRP COc1ccc([C@@H]2CCCC[C@H]2[NH2+]CC2CC[NH+](CCO)CC2)cc1F ZINC000482541336 502105374 /nfs/dbraw/zinc/10/53/74/502105374.db2.gz FQASPAHZSZQUPY-AZUAARDMSA-N 2 0 364.505 3.154 20 0 FGADRP COc1ccc([C@H]2CCCC[C@@H]2[NH2+]CC2CC[NH+](CCO)CC2)cc1F ZINC000482541343 502105871 /nfs/dbraw/zinc/10/58/71/502105871.db2.gz FQASPAHZSZQUPY-QUCCMNQESA-N 2 0 364.505 3.154 20 0 FGADRP CCC[C@H]([NH2+]C(C)C)C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000461445091 502116696 /nfs/dbraw/zinc/11/66/96/502116696.db2.gz BTSRRIVEBAJWES-ACRUOGEOSA-N 2 0 357.542 3.134 20 0 FGADRP CO[C@@H](CC[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1)C(F)(F)F ZINC000468613022 502125045 /nfs/dbraw/zinc/12/50/45/502125045.db2.gz QVLVEHWDLOPATO-SFHVURJKSA-N 2 0 373.463 3.274 20 0 FGADRP CC[C@@H](CSc1ccc(Cl)cc1)[NH2+]CCCN1CCC[C@@H]1C(N)=O ZINC000482634880 502134021 /nfs/dbraw/zinc/13/40/21/502134021.db2.gz JQUMKMPFUAZPIL-DOTOQJQBSA-N 2 0 369.962 3.140 20 0 FGADRP CCC[NH+]1CCN(c2ccccc2C[N@@H+]2CCCC[C@@H](COC)C2)CC1 ZINC000468695610 502150037 /nfs/dbraw/zinc/15/00/37/502150037.db2.gz GQJPWPKHHZWTIA-HXUWFJFHSA-N 2 0 359.558 3.467 20 0 FGADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000468750416 502170602 /nfs/dbraw/zinc/17/06/02/502170602.db2.gz ZHPBHPODAOZTPM-CALCHBBNSA-N 2 0 361.555 3.089 20 0 FGADRP CC[NH+](CC)CCSCC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000468786146 502183035 /nfs/dbraw/zinc/18/30/35/502183035.db2.gz BUBRLZLZEHCLSF-LJQANCHMSA-N 2 0 369.619 3.176 20 0 FGADRP C[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CCc4ccc(Cl)cc43)cn2)CC1 ZINC000479228954 502199920 /nfs/dbraw/zinc/19/99/20/502199920.db2.gz XKRPYQUXUVULMX-LJQANCHMSA-N 2 0 356.901 3.264 20 0 FGADRP CCCC[N@H+](C)C[C@H](C)NC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000461799159 502206363 /nfs/dbraw/zinc/20/63/63/502206363.db2.gz CZXAVGGQRVWCGM-VQTJNVASSA-N 2 0 366.594 3.404 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)N[C@@H](C)C[NH+]1CCCCCC1)c1ccco1 ZINC000482900094 502211201 /nfs/dbraw/zinc/21/12/01/502211201.db2.gz BBYCYEOVDRVLCC-ROUUACIJSA-N 2 0 364.534 3.226 20 0 FGADRP CCC(CC)[C@@H](CNC(=O)NC[C@@H]1CC[N@H+](CC(C)C)C1)[NH+]1CCCC1 ZINC000465216813 502217145 /nfs/dbraw/zinc/21/71/45/502217145.db2.gz VYSAPOWRKDGDGM-AZUAARDMSA-N 2 0 366.594 3.164 20 0 FGADRP CCN(CCC[NH+]1CCCC1)C(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000472104222 502232539 /nfs/dbraw/zinc/23/25/39/502232539.db2.gz OVRVIYMDDNHETN-UHFFFAOYSA-N 2 0 352.567 3.158 20 0 FGADRP O=C(N[C@@H]1CC[N@H+](CC2CCCC2)C1)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000468939299 502237240 /nfs/dbraw/zinc/23/72/40/502237240.db2.gz LZQLVGUDRTWYEW-OAQYLSRUSA-N 2 0 364.493 3.241 20 0 FGADRP CC[NH+](CC)[C@H](C)CNC(=O)NCC[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000472114644 502237308 /nfs/dbraw/zinc/23/73/08/502237308.db2.gz GOSAIUIBAIPQJE-SBHAEUEKSA-N 2 0 374.573 3.317 20 0 FGADRP Cc1nc2cc(F)c(F)cc2n1CC(=O)N1CCN(C)Cc2ccccc21 ZINC000475665730 502247802 /nfs/dbraw/zinc/24/78/02/502247802.db2.gz YAWQICISUBSWRY-UHFFFAOYSA-N 2 0 370.403 3.102 20 0 FGADRP CC(C)OCC[C@@H](O)C[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000472163679 502253692 /nfs/dbraw/zinc/25/36/92/502253692.db2.gz ULMUYWFDUCMEKR-YADHBBJMSA-N 2 0 360.542 3.151 20 0 FGADRP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000483053355 502257508 /nfs/dbraw/zinc/25/75/08/502257508.db2.gz HCKLFXPZOXFVLJ-FQEVSTJZSA-N 2 0 357.542 3.089 20 0 FGADRP Cc1cc(C)n(CC[N@@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)n1 ZINC000475732537 502269798 /nfs/dbraw/zinc/26/97/98/502269798.db2.gz YGLRGDBLKSQAER-QFIPXVFZSA-N 2 0 352.526 3.488 20 0 FGADRP O=C([C@@H]1CCCC[N@@H+]1Cc1ccccc1)N1CC[NH+](C2CCCC2)CC1 ZINC000462023866 502278067 /nfs/dbraw/zinc/27/80/67/502278067.db2.gz AVZWDPPCAWYDLX-NRFANRHFSA-N 2 0 355.526 3.128 20 0 FGADRP CC[C@@H]1C[N@H+](CC(=O)NC2CC[NH+](CC)CC2)CC[C@@H]1c1ccccc1 ZINC000472236799 502280314 /nfs/dbraw/zinc/28/03/14/502280314.db2.gz CBQSQZADOYCYNR-NQIIRXRSSA-N 2 0 357.542 3.103 20 0 FGADRP CC[N@H+](CCNC(=O)N1CCC(CC[NH+]2CCCC[C@@H]2C)CC1)C(C)C ZINC000479523095 502285126 /nfs/dbraw/zinc/28/51/26/502285126.db2.gz PHPLXIILCXLIPQ-IBGZPJMESA-N 2 0 366.594 3.403 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCCCC1CCCC1 ZINC000465552193 502304230 /nfs/dbraw/zinc/30/42/30/502304230.db2.gz ZLOWBHVJLYNOCQ-IBGZPJMESA-N 2 0 352.567 3.014 20 0 FGADRP C[C@H](CCCOc1ccccc1C(N)=O)[NH2+][C@@H](C)CN1CCC[C@@H](C)C1 ZINC000469178551 502326014 /nfs/dbraw/zinc/32/60/14/502326014.db2.gz MTECDYLZOOJDGY-KURKYZTESA-N 2 0 361.530 3.043 20 0 FGADRP NC(=O)c1csc(C[N@@H+]2CCCC[C@H]2[C@H](C[NH3+])Cc2ccccc2)c1 ZINC000472353929 502326610 /nfs/dbraw/zinc/32/66/10/502326610.db2.gz HEVYFDSPLMYFME-LPHOPBHVSA-N 2 0 357.523 3.019 20 0 FGADRP CCC(C)(C)[NH2+][C@H](C)C(=O)N(CC[NH+](C)C)Cc1cccc(Cl)c1 ZINC000475904470 502327349 /nfs/dbraw/zinc/32/73/49/502327349.db2.gz ZHIWOGDTMSUNQC-OAHLLOKOSA-N 2 0 353.938 3.397 20 0 FGADRP Fc1ccc(-c2noc([C@@H]3CCC[N@H+](CCC4CC[NH2+]CC4)C3)n2)cc1 ZINC000479671214 502339864 /nfs/dbraw/zinc/33/98/64/502339864.db2.gz FUDYASDUJNXXCA-QGZVFWFLSA-N 2 0 358.461 3.445 20 0 FGADRP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N[C@@H](C)C[NH+](CC)CC ZINC000465768594 502378639 /nfs/dbraw/zinc/37/86/39/502378639.db2.gz CQMQSEXHWLGAMI-FPOVZHCZSA-N 2 0 374.573 3.270 20 0 FGADRP CCCCNC(=O)CC[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000483467859 502400963 /nfs/dbraw/zinc/40/09/63/502400963.db2.gz LPDNBCSUMMXNJL-LEWJYISDSA-N 2 0 357.542 3.279 20 0 FGADRP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)NCCC1CC[NH+](C)CC1 ZINC000469425823 502412725 /nfs/dbraw/zinc/41/27/25/502412725.db2.gz GMOYMLQOCHVZGR-NRFANRHFSA-N 2 0 374.573 3.174 20 0 FGADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CC[C@H](C)[NH+](Cc2ccccc2)CC1 ZINC000465886185 502415972 /nfs/dbraw/zinc/41/59/72/502415972.db2.gz ITWONGWREMGOBD-PZJWPPBQSA-N 2 0 372.557 3.167 20 0 FGADRP C[N@@H+](Cc1ccccc1)CC1CC[NH+](CCC(=O)Nc2cccnc2)CC1 ZINC000483585552 502437495 /nfs/dbraw/zinc/43/74/95/502437495.db2.gz UGDCETHHANYMQL-UHFFFAOYSA-N 2 0 366.509 3.254 20 0 FGADRP C[C@@H]1C[C@H](N(C)C(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)CC[NH+]1Cc1ccccc1 ZINC000466030884 502459642 /nfs/dbraw/zinc/45/96/42/502459642.db2.gz DESPVTYPXONRSX-VURPSTOHSA-N 2 0 372.557 3.164 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H]1C[C@@H]1C1CCCCC1 ZINC000466084922 502474229 /nfs/dbraw/zinc/47/42/29/502474229.db2.gz LNACSDLPCDFPOY-VAMGGRTRSA-N 2 0 364.578 3.013 20 0 FGADRP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N(C)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000462535418 502478626 /nfs/dbraw/zinc/47/86/26/502478626.db2.gz OTYOYQXVAYLALD-QUCCMNQESA-N 2 0 360.546 3.021 20 0 FGADRP C[C@H](C[NH+]1CCCCC1)NC(=O)NCC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000472970074 502488086 /nfs/dbraw/zinc/48/80/86/502488086.db2.gz KLAADWGEBINFCM-MOPGFXCFSA-N 2 0 360.546 3.071 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NC2CC[NH+](C3CCCCC3)CC2)C[C@@H]1C ZINC000483792448 502494334 /nfs/dbraw/zinc/49/43/34/502494334.db2.gz VBPMZEIXSHJWIL-PXNSSMCTSA-N 2 0 364.578 3.298 20 0 FGADRP C[C@H]1C[NH+](CC2CC[NH+](CCOc3ccc(F)cc3)CC2)C[C@H](C)O1 ZINC000588709456 506317835 /nfs/dbraw/zinc/31/78/35/506317835.db2.gz BMYRGJNCNFEVST-IRXDYDNUSA-N 2 0 350.478 3.026 20 0 FGADRP CC(C)C[C@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)N1CCOCC1 ZINC000480266327 502518245 /nfs/dbraw/zinc/51/82/45/502518245.db2.gz OQJAHDOEHUREOS-MDNUFGMLSA-N 2 0 373.585 3.234 20 0 FGADRP Cc1ccc([C@@H](Cn2ccnc2)NCc2cn(C(C)(C)C)nn2)c(C)c1 ZINC000480289271 502527311 /nfs/dbraw/zinc/52/73/11/502527311.db2.gz NAMOSWYELMQMFO-LJQANCHMSA-N 2 0 352.486 3.378 20 0 FGADRP CCc1ccc([C@H](CNC(=O)NC[C@@H]2CCCC[N@H+]2CC)[NH+](C)C)cc1 ZINC000476631417 502544792 /nfs/dbraw/zinc/54/47/92/502544792.db2.gz RLCPNFNSJPVJNH-PMACEKPBSA-N 2 0 360.546 3.025 20 0 FGADRP c1cc(CN2CCOCC2)ccc1C[NH2+][C@@H]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000462785380 502571129 /nfs/dbraw/zinc/57/11/29/502571129.db2.gz PFMGAWDHKAMFIU-BHDDXSALSA-N 2 0 358.526 3.204 20 0 FGADRP C[C@H]([NH3+])[C@@H]1CCN(C(=O)c2cccc(C[N@H+](C)Cc3ccccc3)c2)C1 ZINC000484145464 502583031 /nfs/dbraw/zinc/58/30/31/502583031.db2.gz SAJPSGZHDDKJTB-LAUBAEHRSA-N 2 0 351.494 3.128 20 0 FGADRP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000469884989 502583431 /nfs/dbraw/zinc/58/34/31/502583431.db2.gz RBXFLLXWEKXPNZ-NNWRFLSQSA-N 2 0 352.526 3.416 20 0 FGADRP C[C@H](NC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)c1cc2ccccc2o1 ZINC000466499040 502588417 /nfs/dbraw/zinc/58/84/17/502588417.db2.gz ITEWSRPQRSJAKW-KRWDZBQOSA-N 2 0 374.529 3.409 20 0 FGADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1 ZINC000469902848 502591309 /nfs/dbraw/zinc/59/13/09/502591309.db2.gz VQZVMSJGJHBKAG-OKILXGFUSA-N 2 0 353.894 3.092 20 0 FGADRP CCNC(=O)c1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000480600043 502616511 /nfs/dbraw/zinc/61/65/11/502616511.db2.gz HJBAYSZDQMAIQN-AVRDEDQJSA-N 2 0 365.521 3.437 20 0 FGADRP CC(C)[C@@H]1CCCC[C@@H]1[NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000484294922 502617237 /nfs/dbraw/zinc/61/72/37/502617237.db2.gz NMQHEKRALGTQNR-OALUTQOASA-N 2 0 351.579 3.418 20 0 FGADRP C[C@@H]([NH2+]CCCC[N@@H+]1CCCC[C@H]1C)c1cccc(NS(C)(=O)=O)c1 ZINC000480609543 502619586 /nfs/dbraw/zinc/61/95/86/502619586.db2.gz LPDNTNBEILAVCS-IAGOWNOFSA-N 2 0 367.559 3.363 20 0 FGADRP C[C@H](CNC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H]1C)C[NH+]1CCCCC1 ZINC000484374613 502634778 /nfs/dbraw/zinc/63/47/78/502634778.db2.gz REWGAKFWLLUJOT-DYXWJJEUSA-N 2 0 372.557 3.071 20 0 FGADRP COC(=O)c1cc(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)n(C)c1C ZINC000462949472 502639922 /nfs/dbraw/zinc/63/99/22/502639922.db2.gz AHJUDFXOICAJAD-UHFFFAOYSA-N 2 0 361.530 3.208 20 0 FGADRP CCC[N@H+](CC)C[C@H](C)NC(=O)N(C)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000463058418 502678453 /nfs/dbraw/zinc/67/84/53/502678453.db2.gz MAAUSQNHELFOOY-AZUAARDMSA-N 2 0 360.546 3.023 20 0 FGADRP C[C@H]1CCC[C@@](CNC(=O)NCc2ccc(CC[NH+](C)C)cc2)([NH+](C)C)C1 ZINC000466797749 502682921 /nfs/dbraw/zinc/68/29/21/502682921.db2.gz WCSQUEZZYMKWJI-PGRDOPGGSA-N 2 0 374.573 3.100 20 0 FGADRP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)NC[C@H](C2CC2)[N@H+](C)Cc2ccccc2)C1 ZINC000477192587 502703946 /nfs/dbraw/zinc/70/39/46/502703946.db2.gz KJUGEVBFXZMGJP-PWRODBHTSA-N 2 0 372.557 3.069 20 0 FGADRP CC[NH+]1CCN(c2ccccc2CNCC(C)(C)C[NH+]2CCCC2)CC1 ZINC000480915598 502704341 /nfs/dbraw/zinc/70/43/41/502704341.db2.gz ZETSUIYMZDPALX-UHFFFAOYSA-N 2 0 358.574 3.040 20 0 FGADRP CC(C)(C)NC(=O)C[NH+]1CCC(C[NH2+][C@H]2CS[C@H](C(C)(C)C)C2)CC1 ZINC000488419539 502709254 /nfs/dbraw/zinc/70/92/54/502709254.db2.gz UYWBAOAKWLGJJX-SJORKVTESA-N 2 0 369.619 3.123 20 0 FGADRP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC[C@@H]2CCC[NH+](C(C)C)C2)C1 ZINC000477225709 502713058 /nfs/dbraw/zinc/71/30/58/502713058.db2.gz WJZOGPNQIKCAGF-OALUTQOASA-N 2 0 366.594 3.307 20 0 FGADRP C[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)[NH+]1CCCCCC1 ZINC000488478268 502725280 /nfs/dbraw/zinc/72/52/80/502725280.db2.gz BMYXMWSCGCJODI-SFHLNBCPSA-N 2 0 357.542 3.278 20 0 FGADRP C[C@@H](CNC(=O)N1CCC([NH+]2CCCCC2)CC1)[N@H+](C)Cc1ccccc1 ZINC000477356558 502752233 /nfs/dbraw/zinc/75/22/33/502752233.db2.gz BQSBGLJDNSJDAX-IBGZPJMESA-N 2 0 372.557 3.167 20 0 FGADRP CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)c1ccc2c(c1)C[NH2+]C2 ZINC000470369059 502752484 /nfs/dbraw/zinc/75/24/84/502752484.db2.gz ILITWXAMGSBZEM-UHFFFAOYSA-N 2 0 357.420 3.026 20 0 FGADRP Cc1ccc([C@@H](CNC(=O)N2CC[N@@H+](C3CCC3)C[C@H](C)C2)[NH+](C)C)cc1 ZINC000488584012 502757957 /nfs/dbraw/zinc/75/79/57/502757957.db2.gz QHDJOYVARDJJBE-GHTZIAJQSA-N 2 0 372.557 3.114 20 0 FGADRP CC(C)[C@H](CNC(=O)NCCCCC[NH+]1CCCCC1)[NH+]1CCCC1 ZINC000477404673 502766469 /nfs/dbraw/zinc/76/64/69/502766469.db2.gz HFZGHIKMCLBREL-IBGZPJMESA-N 2 0 352.567 3.062 20 0 FGADRP CC[NH+](CC)[C@@H]1CCN(C(=O)N[C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000488642282 502772648 /nfs/dbraw/zinc/77/26/48/502772648.db2.gz IEAGRMPYQHLWRY-HMXCVIKNSA-N 2 0 372.557 3.023 20 0 FGADRP CC1(C)CCCC[C@@H]1[NH2+]CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000481181108 502775927 /nfs/dbraw/zinc/77/59/27/502775927.db2.gz LTXBCVNEULLJEZ-FQEVSTJZSA-N 2 0 357.542 3.457 20 0 FGADRP CC[C@H]1CCCC[C@@H]1[NH2+]CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000481192729 502779617 /nfs/dbraw/zinc/77/96/17/502779617.db2.gz QNLRVRXAULNEIS-SFTDATJTSA-N 2 0 357.542 3.457 20 0 FGADRP CCN(C(=O)NCC[NH+](CC)C1CC1)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000474019718 502781728 /nfs/dbraw/zinc/78/17/28/502781728.db2.gz XASHFDDACFODDB-RXVVDRJESA-N 2 0 372.557 3.338 20 0 FGADRP C[C@H](C(=O)Nc1ccc2ccn(CC[NH+](C)C)c2c1)[NH+]1CCCCCC1 ZINC000467098549 502786857 /nfs/dbraw/zinc/78/68/57/502786857.db2.gz BTCUNCDXOGUALW-QGZVFWFLSA-N 2 0 356.514 3.406 20 0 FGADRP C[C@@H]([NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1)C1CCC(F)(F)CC1 ZINC000474060633 502794154 /nfs/dbraw/zinc/79/41/54/502794154.db2.gz BKPDMSGYSIGMFB-OAHLLOKOSA-N 2 0 373.532 3.417 20 0 FGADRP CC(C)[NH+](CCCNC(=O)N1CCC([NH+]2CCCCC2)CC1)C(C)C ZINC000470500536 502797053 /nfs/dbraw/zinc/79/70/53/502797053.db2.gz MPMNNIIAGIVWPX-UHFFFAOYSA-N 2 0 352.567 3.155 20 0 FGADRP CCC[NH+]1CCC(NC(=O)[C@H]2CCC[N@H+](Cc3cccc(F)c3)C2)CC1 ZINC000588774125 506335103 /nfs/dbraw/zinc/33/51/03/506335103.db2.gz PVZPDXJLOHCIKE-SFHVURJKSA-N 2 0 361.505 3.028 20 0 FGADRP CC[NH+](CC)CCOc1ccc(C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)cc1 ZINC000495299221 502820421 /nfs/dbraw/zinc/82/04/21/502820421.db2.gz MIRYMUGYWRRJJI-HXUWFJFHSA-N 2 0 373.541 3.108 20 0 FGADRP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)NCC[NH+]1CCCCC1 ZINC000509133217 502829769 /nfs/dbraw/zinc/82/97/69/502829769.db2.gz XEZZDPDHSJYEMA-HXUWFJFHSA-N 2 0 372.557 3.072 20 0 FGADRP CCC[C@H]([NH2+]CCN1CC[NH+](Cc2ccccc2)CC1)c1ccccn1 ZINC000500632797 502830270 /nfs/dbraw/zinc/83/02/70/502830270.db2.gz JONGGXINFIUVIG-NRFANRHFSA-N 2 0 352.526 3.330 20 0 FGADRP CC[N@H+](Cc1ccc(C(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)cc1)C1CC1 ZINC000495684642 502858106 /nfs/dbraw/zinc/85/81/06/502858106.db2.gz PYNUMHGFNFIIAJ-OAQYLSRUSA-N 2 0 355.526 3.275 20 0 FGADRP CC[N@H+](Cc1ccc(C(=O)N2C[C@@H](SC)[C@H]([NH+](C)C)C2)cc1)C(C)C ZINC000495728415 502861401 /nfs/dbraw/zinc/86/14/01/502861401.db2.gz NSZKAQNTJWLOPW-RTBURBONSA-N 2 0 363.571 3.035 20 0 FGADRP CCC[N@@H+]1CC[C@H](CNC(=O)NC[C@@]2(C)CCC[NH+]2Cc2ccccc2)C1 ZINC000489091563 502877777 /nfs/dbraw/zinc/87/77/77/502877777.db2.gz ZPCAXOVNNBHSCV-IFMALSPDSA-N 2 0 372.557 3.072 20 0 FGADRP C[N@@H+]1CCN(CCC[NH+]2CCN(c3ccccc3)CC2)C2(CCCCC2)C1 ZINC000509380810 502887707 /nfs/dbraw/zinc/88/77/07/502887707.db2.gz VNCYSQXUGBHBIS-UHFFFAOYSA-N 2 0 370.585 3.149 20 0 FGADRP CCC[N@H+](Cc1cnc(C)nc1)C1CCN(c2cc(C)nc(C)n2)CC1 ZINC000509390259 502890885 /nfs/dbraw/zinc/89/08/85/502890885.db2.gz VCCAQLMKMHVWRD-UHFFFAOYSA-N 2 0 354.502 3.073 20 0 FGADRP C[N@H+](CCc1ccc2c(c1)CCO2)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501030618 502915813 /nfs/dbraw/zinc/91/58/13/502915813.db2.gz MEUKTJRUVRWKOD-UHFFFAOYSA-N 2 0 351.494 3.407 20 0 FGADRP CCC[NH+]1CCN(c2ccccc2C[N@H+](C)C[C@H]2CCCC[C@@H]2O)CC1 ZINC000497122827 502923005 /nfs/dbraw/zinc/92/30/05/502923005.db2.gz BPXRHKQKMZVHDV-IRLDBZIGSA-N 2 0 359.558 3.202 20 0 FGADRP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@H]([NH3+])c1ccccc1 ZINC000497319805 502931186 /nfs/dbraw/zinc/93/11/86/502931186.db2.gz IBZVANBDCUZPTL-TZIWHRDSSA-N 2 0 351.494 3.057 20 0 FGADRP CC(C)[C@H](CNC(=O)N1CC[NH+](C2CCCC2)CC1)[NH+]1CCC(C)CC1 ZINC000501151559 502949337 /nfs/dbraw/zinc/94/93/37/502949337.db2.gz UHEHVRZRLDSRQS-FQEVSTJZSA-N 2 0 364.578 3.013 20 0 FGADRP C[C@@H]1C[C@H](CC[NH2+]Cc2ccc3c(c2)nnn3C)C[N@@H+]1Cc1ccccc1 ZINC000513504709 502954225 /nfs/dbraw/zinc/95/42/25/502954225.db2.gz FACIIPMIVNGSSY-XLIONFOSSA-N 2 0 363.509 3.359 20 0 FGADRP O=C(NCC[NH+]1CCCCCC1)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000513523323 502958776 /nfs/dbraw/zinc/95/87/76/502958776.db2.gz ZOEXXKKFQCKJBM-IBGZPJMESA-N 2 0 361.505 3.030 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccc2c(c1)CCCC2 ZINC000505727446 502974233 /nfs/dbraw/zinc/97/42/33/502974233.db2.gz ZOFXATAISUKGQR-OAQYLSRUSA-N 2 0 357.542 3.054 20 0 FGADRP C[NH+]1CCN(CCC[NH2+][C@@H](c2cc3ccccc3o2)c2cccnc2)CC1 ZINC000497516210 502977806 /nfs/dbraw/zinc/97/78/06/502977806.db2.gz GRMBUEUXPZYYSZ-JOCHJYFZSA-N 2 0 364.493 3.144 20 0 FGADRP CC(C)c1ccc2c(c1)[C@@H](NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1)CCCO2 ZINC000489520233 502978186 /nfs/dbraw/zinc/97/81/86/502978186.db2.gz CHFYNXZIYVXUTQ-QUCCMNQESA-N 2 0 373.541 3.201 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N[C@@H]1CC[NH+](CC2CCCC2)C1 ZINC000513611882 502979430 /nfs/dbraw/zinc/97/94/30/502979430.db2.gz QHLLXDMGFDUAJY-STZQEDGTSA-N 2 0 369.553 3.135 20 0 FGADRP C[NH+](C)CC[C@@H](NC(=O)N[C@H](C[NH+](C)C)c1ccc(F)cc1)C(C)(C)C ZINC000497549533 502985229 /nfs/dbraw/zinc/98/52/29/502985229.db2.gz AOYPZRNEWBORKA-QZTJIDSGSA-N 2 0 366.525 3.094 20 0 FGADRP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)NC[C@H](c2ccsc2)[NH+](C)C)C1 ZINC000501494160 503020424 /nfs/dbraw/zinc/02/04/24/503020424.db2.gz FUDRNCQQXDTVLB-JFIYKMOQSA-N 2 0 366.575 3.018 20 0 FGADRP C[C@@H](CNC(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000501498999 503021386 /nfs/dbraw/zinc/02/13/86/503021386.db2.gz BSHMRJKPZWHYMX-DYXWJJEUSA-N 2 0 372.557 3.243 20 0 FGADRP CC[NH+](CC)CCN(Cc1ccccc1)C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000489752205 503026027 /nfs/dbraw/zinc/02/60/27/503026027.db2.gz DSXOTSUOLJYMSU-LEWJYISDSA-N 2 0 374.573 3.413 20 0 FGADRP C[C@@H](CNC(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)[NH+]1CCC[C@@H](C)C1 ZINC000501515808 503026829 /nfs/dbraw/zinc/02/68/29/503026829.db2.gz CUEOOZWPQBYORS-SVFBPWRDSA-N 2 0 372.557 3.071 20 0 FGADRP C[NH+](C)[C@H](CNC(=O)NC[C@H](c1ccsc1)[NH+](C)C)c1cccs1 ZINC000501520489 503027607 /nfs/dbraw/zinc/02/76/07/503027607.db2.gz FHTGNIQNCIBSBU-HUUCEWRRSA-N 2 0 366.556 3.014 20 0 FGADRP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000489786366 503034625 /nfs/dbraw/zinc/03/46/25/503034625.db2.gz BGOFNMQLZNANLK-ACRUOGEOSA-N 2 0 372.557 3.023 20 0 FGADRP CC[NH+](CC)CC1CCN(C(=O)NC[C@H](C)[N@@H+]2CCCC[C@H]2C)CC1 ZINC000501550412 503035470 /nfs/dbraw/zinc/03/54/70/503035470.db2.gz KPQHIDYMQMMJFM-MSOLQXFVSA-N 2 0 352.567 3.013 20 0 FGADRP C[C@@]1(c2ccccc2)CCC[N@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)CC1 ZINC000510097994 503048595 /nfs/dbraw/zinc/04/85/95/503048595.db2.gz HYJWIUNRLDXHIN-HSZRJFAPSA-N 2 0 369.553 3.173 20 0 FGADRP CC(C)CN(CC[NH+](C)C)C(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000501809706 503084081 /nfs/dbraw/zinc/08/40/81/503084081.db2.gz LLTYQNWSYBPXFC-FQEVSTJZSA-N 2 0 360.546 3.053 20 0 FGADRP CCc1ccc([C@@H](CNC(=O)N2CCCC23CC[NH+](C)CC3)[NH+](C)C)cc1 ZINC000510366237 503100220 /nfs/dbraw/zinc/10/02/20/503100220.db2.gz XKIMCHPCFZADQJ-HXUWFJFHSA-N 2 0 372.557 3.122 20 0 FGADRP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000514215015 503114897 /nfs/dbraw/zinc/11/48/97/503114897.db2.gz QIALOZVRUDWJCJ-SFHLNBCPSA-N 2 0 372.557 3.243 20 0 FGADRP Cc1ccc([C@H](CNC(=O)NCC[N@H+]2CCCC[C@H]2C)[NH+]2CCCC2)cc1 ZINC000514229269 503119695 /nfs/dbraw/zinc/11/96/95/503119695.db2.gz PFLSFTAOAUHVRG-CTNGQTDRSA-N 2 0 372.557 3.306 20 0 FGADRP CC[C@H](C)[NH2+][C@H](CNC(=O)N[C@H](C)C[NH+]1CCCCCC1)c1ccco1 ZINC000502135365 503148994 /nfs/dbraw/zinc/14/89/94/503148994.db2.gz DPWHCLHFBVDTAO-RCCFBDPRSA-N 2 0 364.534 3.273 20 0 FGADRP CC[NH+]1CCC(CCNC(=O)N[C@H](C)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000498418972 503183252 /nfs/dbraw/zinc/18/32/52/503183252.db2.gz AMJDBEOLIHXAJB-XLIONFOSSA-N 2 0 360.546 3.099 20 0 FGADRP CSC1(C[NH2+][C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)CC[NH+](C)CC1 ZINC000514761936 503186736 /nfs/dbraw/zinc/18/67/36/503186736.db2.gz PJEFMDVDVSXONX-ICSRJNTNSA-N 3 0 361.599 3.314 20 0 FGADRP C[C@]12C[C@H]1CCC[C@@H]2[NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000502432142 503199130 /nfs/dbraw/zinc/19/91/30/503199130.db2.gz QRDQWJRFROFRER-URVUXULASA-N 2 0 355.526 3.181 20 0 FGADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000502586146 503233041 /nfs/dbraw/zinc/23/30/41/503233041.db2.gz SPXLKGUVHFSZFX-HOTGVXAUSA-N 2 0 365.484 3.087 20 0 FGADRP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)NCC[N@H+](C)C2CC2)C1 ZINC000490863246 503238193 /nfs/dbraw/zinc/23/81/93/503238193.db2.gz RMQJRWALIADXNC-QZTJIDSGSA-N 2 0 372.557 3.058 20 0 FGADRP C[NH+](C)C1(CNC(=O)[C@@H]2C[NH2+]C[C@H]2c2ccc(Cl)cc2)CCCCC1 ZINC000582673871 506360161 /nfs/dbraw/zinc/36/01/61/506360161.db2.gz GLUOYFACENNGDT-ZWKOTPCHSA-N 2 0 363.933 3.024 20 0 FGADRP CC(C)[N@@H+]1CCCN(C(=O)N[C@H](C)[C@H]2CC[NH+](Cc3ccccc3)C2)CC1 ZINC000498709395 503244174 /nfs/dbraw/zinc/24/41/74/503244174.db2.gz IVAQWWJRIWVRJL-CTNGQTDRSA-N 2 0 372.557 3.023 20 0 FGADRP CC[C@H](CNC(=O)[C@H](C)[NH+]1[C@H](C)CC[C@H]1C)[N@@H+]1CCc2ccccc2C1 ZINC000511257309 503288665 /nfs/dbraw/zinc/28/86/65/503288665.db2.gz CYNDUOZPFWHPHQ-DCXXXQMHSA-N 2 0 357.542 3.201 20 0 FGADRP CC[N@@H+]1CCC[C@H](CNC(=O)NCC(C)(C)[NH2+][C@H](C)c2ccccc2)C1 ZINC000507415085 503295847 /nfs/dbraw/zinc/29/58/47/503295847.db2.gz SMSPNYCBJGGRBG-QZTJIDSGSA-N 2 0 360.546 3.147 20 0 FGADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N2CC[NH+](C)CC[C@@H]2C)cc1 ZINC000502912249 503306573 /nfs/dbraw/zinc/30/65/73/503306573.db2.gz LVGMTMMSRZXGAC-OALUTQOASA-N 2 0 372.557 3.297 20 0 FGADRP C[NH+](C)[C@H](CNC(=O)CC[C@H]1CCCC[N@@H+]1C)c1ccc(Cl)cc1 ZINC000515419608 503335061 /nfs/dbraw/zinc/33/50/61/503335061.db2.gz DARYQUZEGNUVJM-QZTJIDSGSA-N 2 0 351.922 3.323 20 0 FGADRP COc1cccc([C@H](CNC(=O)[C@H](C)[NH+]2[C@@H](C)CC[C@@H]2C)[NH+]2CCCC2)c1 ZINC000511530209 503338064 /nfs/dbraw/zinc/33/80/64/503338064.db2.gz GIOJHXCIYZXAGM-NTLWEQJWSA-N 2 0 373.541 3.210 20 0 FGADRP CC[NH+]1CCC(NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)CC1 ZINC000511584264 503348228 /nfs/dbraw/zinc/34/82/28/503348228.db2.gz CZNODFMPHLNSJJ-HXUWFJFHSA-N 2 0 372.557 3.071 20 0 FGADRP C[NH+](C)[C@@H]1CCc2cc(NC(=O)C3CC[NH+]([C@@H]4CCSC4)CC3)ccc21 ZINC000515798292 503403817 /nfs/dbraw/zinc/40/38/17/503403817.db2.gz NCJFRDRLJYEUOZ-UYAOXDASSA-N 2 0 373.566 3.392 20 0 FGADRP CCC[N@H+](C)[C@@H](CNC(=O)N1CCC[C@@H](C[NH3+])C1)c1ccc(Cl)cc1 ZINC000515811094 503406104 /nfs/dbraw/zinc/40/61/04/503406104.db2.gz OMYCLNHDIKUOBN-YJBOKZPZSA-N 2 0 366.937 3.103 20 0 FGADRP CC(C)[NH+]1CCC(N2CC[NH+](CCCCC3CCOCC3)CC2)CC1 ZINC000499545755 503429073 /nfs/dbraw/zinc/42/90/73/503429073.db2.gz CSZVBGDQVDTQDO-UHFFFAOYSA-N 2 0 351.579 3.074 20 0 FGADRP Cn1cncc1CC[N@@H+]1C[C@H](C(=O)OC(C)(C)C)[C@@H](c2ccccc2)C1 ZINC000516056877 503438377 /nfs/dbraw/zinc/43/83/77/503438377.db2.gz GTKIEMORTWPPHC-MOPGFXCFSA-N 2 0 355.482 3.020 20 0 FGADRP CCN(CC[NH+]1CCCCCC1)C(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000493835883 503448864 /nfs/dbraw/zinc/44/88/64/503448864.db2.gz NSVPOYUYFZWFRS-LJQANCHMSA-N 2 0 352.567 3.014 20 0 FGADRP C[C@H]([NH3+])[C@H](C)C(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000493892021 503453836 /nfs/dbraw/zinc/45/38/36/503453836.db2.gz RQDSPVWJQSWBHV-LBEHMCEESA-N 2 0 371.447 3.188 20 0 FGADRP CCC[N@@H+]1CC[C@H](CNC(=O)NCC2([NH+]3CCCCC3)CCCCC2)C1 ZINC000516177631 503463549 /nfs/dbraw/zinc/46/35/49/503463549.db2.gz PZBVFUPCZPGXQU-LJQANCHMSA-N 2 0 364.578 3.206 20 0 FGADRP COCC[N@H+](C)CCC[NH2+][C@@H]1CCc2cc(Br)cc(C)c21 ZINC000493979090 503469885 /nfs/dbraw/zinc/46/98/85/503469885.db2.gz WTLVWJXUSIVRCP-MRXNPFEDSA-N 2 0 355.320 3.303 20 0 FGADRP COCCc1ccnc(NCc2c(Cl)cccc2N2CC[NH+](C)CC2)c1 ZINC000508517835 503510373 /nfs/dbraw/zinc/51/03/73/503510373.db2.gz KOZRGLAIZKPUPR-UHFFFAOYSA-N 2 0 374.916 3.288 20 0 FGADRP Cc1ccc([C@@H](CNC(=O)NCC2(C)CC[NH+](C)CC2)[NH+]2CCCC2)cc1 ZINC000508544916 503517935 /nfs/dbraw/zinc/51/79/35/503517935.db2.gz DFXMBFFDWVHXJQ-HXUWFJFHSA-N 2 0 372.557 3.163 20 0 FGADRP CC[N@H+](C)Cc1cccc(CNC(=O)N(C)CC[NH+](C(C)C)C(C)C)c1 ZINC000508549730 503518268 /nfs/dbraw/zinc/51/82/68/503518268.db2.gz RGIJOITVKUYQFZ-UHFFFAOYSA-N 2 0 362.562 3.399 20 0 FGADRP C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)[C@H]3CCC[NH+]3C3CC3)cc2)C1 ZINC000494294941 503521529 /nfs/dbraw/zinc/52/15/29/503521529.db2.gz FJKWMAUKLIEUBS-LAUBAEHRSA-N 2 0 355.526 3.162 20 0 FGADRP C[C@@H](Cc1ccc(O)cc1)[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000512350695 503526735 /nfs/dbraw/zinc/52/67/35/503526735.db2.gz TWDKOJWAIWDZAQ-LAUBAEHRSA-N 2 0 354.494 3.070 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)NC[C@H](C)C[NH+]1CCCCC1)c1ccccc1 ZINC000516565573 503538221 /nfs/dbraw/zinc/53/82/21/503538221.db2.gz MGYUWSZIVBIADB-FPOVZHCZSA-N 2 0 374.573 3.491 20 0 FGADRP C[C@@H](C(=O)N1CCC([N@H+](C)Cc2cccc(C(F)(F)F)c2)CC1)[C@H](C)[NH3+] ZINC000516568764 503539007 /nfs/dbraw/zinc/53/90/07/503539007.db2.gz XXFCVEYFJGIFQR-KGLIPLIRSA-N 2 0 371.447 3.112 20 0 FGADRP C[NH+](C)CCOc1ccccc1-c1nc(-c2ccc(C[NH+](C)C)cc2)no1 ZINC000504240523 503542468 /nfs/dbraw/zinc/54/24/68/503542468.db2.gz AYVDYLMFQHJYMD-UHFFFAOYSA-N 2 0 366.465 3.406 20 0 FGADRP C[C@H](O)C[C@@H]1CCCCC[NH+]1CCC[N@H+]1CCCCC[C@H]1C[C@H](C)O ZINC000512439321 503550859 /nfs/dbraw/zinc/55/08/59/503550859.db2.gz QAMQONNZYSBDCY-TUFLPTIASA-N 2 0 354.579 3.408 20 0 FGADRP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]Cc2ccccc2Cn2cncn2)CC1 ZINC000508730019 503552900 /nfs/dbraw/zinc/55/29/00/503552900.db2.gz MAACLCHVWIRZRH-XMSQKQJNSA-N 2 0 367.541 3.459 20 0 FGADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2ccccc2Cn2cncn2)CC1 ZINC000508730017 503552907 /nfs/dbraw/zinc/55/29/07/503552907.db2.gz MAACLCHVWIRZRH-GCJKJVERSA-N 2 0 367.541 3.459 20 0 FGADRP Cc1ccc(C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c(=O)n1C ZINC000494530770 503558991 /nfs/dbraw/zinc/55/89/91/503558991.db2.gz XYAAGJGSRIYARZ-BHDDXSALSA-N 2 0 365.521 3.084 20 0 FGADRP CC(C)[NH+](CCN(C)C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1)C(C)C ZINC000504420579 503572512 /nfs/dbraw/zinc/57/25/12/503572512.db2.gz XIPMLRKQDRZZLW-PMACEKPBSA-N 2 0 360.546 3.192 20 0 FGADRP CC[N@H+](CCNC(=O)NCc1ccccc1C[NH+]1CCCCCC1)C1CC1 ZINC000494630123 503578616 /nfs/dbraw/zinc/57/86/16/503578616.db2.gz FHZRFOUFBGCOGL-UHFFFAOYSA-N 2 0 372.557 3.346 20 0 FGADRP CCOC(=O)c1c(C)c2ccccc2nc1CN1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000516770954 503583914 /nfs/dbraw/zinc/58/39/14/503583914.db2.gz UTRHQGMGQGEYRZ-SZMVWBNQSA-N 2 0 367.493 3.279 20 0 FGADRP O=C(CC[C@@H]1CCC[NH2+]1)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000494657624 503585346 /nfs/dbraw/zinc/58/53/46/503585346.db2.gz UTORALUEMAZMHU-FQEVSTJZSA-N 2 0 351.494 3.016 20 0 FGADRP Cc1ccccc1[C@@H]([C@H](C)NC(=O)NCC1(C)CC[NH+](C)CC1)[NH+](C)C ZINC000508891140 503590334 /nfs/dbraw/zinc/59/03/34/503590334.db2.gz ARUIOSUCCZJVOE-PKOBYXMFSA-N 2 0 360.546 3.017 20 0 FGADRP CCCN(CC[NH+]1CCCC1)C(=O)N[C@@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC000508902168 503595727 /nfs/dbraw/zinc/59/57/27/503595727.db2.gz ZXXMTYNCYVUFRP-AZUAARDMSA-N 2 0 360.546 3.195 20 0 FGADRP [NH3+][C@H]1CCC[C@@H](NCc2ccc(Cl)cc2I)C1 ZINC000516981017 503637208 /nfs/dbraw/zinc/63/72/08/503637208.db2.gz HDYLRXVKUCVNPT-NWDGAFQWSA-N 2 0 364.658 3.304 20 0 FGADRP C[NH+]1CCN(c2cccc(Cl)c2CNCc2cnn3ccccc23)CC1 ZINC000512868281 503647800 /nfs/dbraw/zinc/64/78/00/503647800.db2.gz ACEVSIBNADFGLR-UHFFFAOYSA-N 2 0 369.900 3.029 20 0 FGADRP Cc1ccc([C@H](CNC(=O)N2CCC[C@H]2C[NH+]2CCCCC2)[NH+](C)C)cc1 ZINC000517112054 503671761 /nfs/dbraw/zinc/67/17/61/503671761.db2.gz IEKXHVZLCUGDJN-SFTDATJTSA-N 2 0 372.557 3.258 20 0 FGADRP CC[N@H+](CCC1CC1)[C@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000546227773 503678077 /nfs/dbraw/zinc/67/80/77/503678077.db2.gz OXSCMWUAOPWSEL-GOSISDBHSA-N 2 0 357.542 3.278 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H](NC[C@H]2CCCC[NH+]2CC(C)C)[C@H](C)C1 ZINC000540147206 503688935 /nfs/dbraw/zinc/68/89/35/503688935.db2.gz QNDKPEBAKCIPDC-NJYVYQBISA-N 2 0 353.595 3.224 20 0 FGADRP CC[C@H](C)[C@H](C)[NH2+][C@@H](C)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000540187086 503701368 /nfs/dbraw/zinc/70/13/68/503701368.db2.gz HCKRZKAQAJYVRI-ULQDDVLXSA-N 2 0 369.575 3.002 20 0 FGADRP CC[C@H]1CC[C@H](C)[N@@H+]1CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000536742781 503707711 /nfs/dbraw/zinc/70/77/11/503707711.db2.gz ZOBNGNJRFSSLLX-LPHOPBHVSA-N 2 0 361.555 3.437 20 0 FGADRP CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)N1CCC[NH+](C(C)(C)C)CC1 ZINC000533051060 503714287 /nfs/dbraw/zinc/71/42/87/503714287.db2.gz VBBVKIARTUSDHT-SFHVURJKSA-N 2 0 352.567 3.013 20 0 FGADRP Cc1cccc(C[C@H]([NH2+]Cc2ccnc(OCC[NH+](C)C)c2)C2CC2)c1 ZINC000536832680 503736275 /nfs/dbraw/zinc/73/62/75/503736275.db2.gz MPHXXXGQTPRRHQ-NRFANRHFSA-N 2 0 353.510 3.441 20 0 FGADRP CCC[NH+]1CCC(CNC(=O)NC(C)(C)C[N@H+](C)Cc2ccccc2)CC1 ZINC000533155519 503745415 /nfs/dbraw/zinc/74/54/15/503745415.db2.gz ABAASFVQUNMWHQ-UHFFFAOYSA-N 2 0 374.573 3.318 20 0 FGADRP C[C@@H]([NH2+]CC[C@H]1CCC[N@@H+]1C)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000540388949 503756499 /nfs/dbraw/zinc/75/64/99/503756499.db2.gz XQBADYLEJQQQKY-OXQOHEQNSA-N 2 0 352.482 3.469 20 0 FGADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]CCCc1nc2ccccc2n1C ZINC000543415647 503761301 /nfs/dbraw/zinc/76/13/01/503761301.db2.gz JBHZRLVCGONWRS-UHFFFAOYSA-N 2 0 360.465 3.185 20 0 FGADRP Cc1n[nH]cc1C[NH2+]CCc1ccc(OCC[N@H+]2C[C@H](C)[C@H](C)C2)cc1 ZINC000537024728 503780024 /nfs/dbraw/zinc/78/00/24/503780024.db2.gz WLGCBMGYOFWDKV-CALCHBBNSA-N 2 0 356.514 3.017 20 0 FGADRP CC[C@H]1CCC[N@@H+]1CC(=O)NC[C@H](c1ccc(OC)cc1)[NH+]1CCCCC1 ZINC000533287210 503791702 /nfs/dbraw/zinc/79/17/02/503791702.db2.gz WVPKABYWGXWRTP-PZJWPPBQSA-N 2 0 373.541 3.213 20 0 FGADRP O=C(NC[C@H]1CC[NH+]1C1CCCC1)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000530023198 503796894 /nfs/dbraw/zinc/79/68/94/503796894.db2.gz CRYWQYUSHJGCMN-GHTZIAJQSA-N 2 0 373.516 3.171 20 0 FGADRP CCC1(C[NH2+][C@@H](C)CS(=O)(=O)CC)CC[NH+](Cc2ccccc2)CC1 ZINC000537093200 503800950 /nfs/dbraw/zinc/80/09/50/503800950.db2.gz BKXCATYQMAHTOM-SFHVURJKSA-N 2 0 366.571 3.092 20 0 FGADRP CC(C[NH+]1CCC2(CCOCC2)[C@H]1C)C[N@@H+]1CCC2(CCOCC2)[C@H]1C ZINC000543573911 503816482 /nfs/dbraw/zinc/81/64/82/503816482.db2.gz JQTROSQVHQKOTL-WOJBJXKFSA-N 2 0 364.574 3.405 20 0 FGADRP CC[NH+]1CCC(CNC(=O)NCC(C)(C)[NH2+][C@H](C)c2ccccc2)CC1 ZINC000517769881 503832940 /nfs/dbraw/zinc/83/29/40/503832940.db2.gz WEDZFRLXKGBEPZ-QGZVFWFLSA-N 2 0 360.546 3.147 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+][C@H](Cc1ccccc1)C(N)=O ZINC000543659281 503843948 /nfs/dbraw/zinc/84/39/48/503843948.db2.gz ZKSRRRQYIQXATD-XMSQKQJNSA-N 2 0 365.521 3.247 20 0 FGADRP COc1cccc([C@H](CNC(=O)CC[N@H+](C)C2CCCCC2)[NH+](C)C)c1 ZINC000546723006 503852410 /nfs/dbraw/zinc/85/24/10/503852410.db2.gz HMZIJBUYMHIODF-FQEVSTJZSA-N 2 0 361.530 3.069 20 0 FGADRP CC[NH+](CC)Cc1ccccc1CNC(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000517885351 503858580 /nfs/dbraw/zinc/85/85/80/503858580.db2.gz RITDDMCXQKTWOD-OAQYLSRUSA-N 2 0 372.557 3.298 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)NC[C@@H](C(C)C)[NH+]1CCCC1)c1ccco1 ZINC000517892941 503860680 /nfs/dbraw/zinc/86/06/80/503860680.db2.gz WPDOIPFKWWPIIH-ROUUACIJSA-N 2 0 364.534 3.082 20 0 FGADRP C[N@@H+]1CCN(CCC[NH2+]Cc2ccncc2Cl)[C@@H](c2ccccc2)C1 ZINC000527636883 503868776 /nfs/dbraw/zinc/86/87/76/503868776.db2.gz FONWPSTXNBGYCF-HXUWFJFHSA-N 2 0 358.917 3.203 20 0 FGADRP C[NH+](C)[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)c1ccc(Cl)cc1 ZINC000533510642 503869923 /nfs/dbraw/zinc/86/99/23/503869923.db2.gz NKCZTQPJWUQSCN-RTBURBONSA-N 2 0 363.933 3.466 20 0 FGADRP COc1cc(C[NH2+]CC2CC[NH+](CCN(C)C)CC2)cc(C(F)(F)F)c1 ZINC000527652011 503877016 /nfs/dbraw/zinc/87/70/16/503877016.db2.gz AWAQSDWFFYAVSY-UHFFFAOYSA-N 2 0 373.463 3.077 20 0 FGADRP NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+][C@@H]2CCC[C@@H](c3ccccc3)CC2)C1 ZINC000527654866 503877963 /nfs/dbraw/zinc/87/79/63/503877963.db2.gz UTMYHLIPZQNSDS-NJDAHSKKSA-N 2 0 357.542 3.280 20 0 FGADRP CC(C)[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1cc2ccccc2o1 ZINC000537345398 503884046 /nfs/dbraw/zinc/88/40/46/503884046.db2.gz ZGOQDZUJNKUXDR-XLIONFOSSA-N 2 0 357.498 3.307 20 0 FGADRP O[C@@H]1CCC[C@H]1[NH+]1CCC([NH2+]CC2(O)CCC(c3ccccc3)CC2)CC1 ZINC000530233252 503884740 /nfs/dbraw/zinc/88/47/40/503884740.db2.gz WASXTUKBXLQWLL-ACFFJPHRSA-N 2 0 372.553 3.043 20 0 FGADRP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530247602 503893452 /nfs/dbraw/zinc/89/34/52/503893452.db2.gz BBAIVIPAFFKXBX-JOCHJYFZSA-N 3 0 373.585 3.235 20 0 FGADRP CCCn1c(C[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)nc2ccccc21 ZINC000530248876 503893770 /nfs/dbraw/zinc/89/37/70/503893770.db2.gz RNPNIOKPOSFDFY-SFHVURJKSA-N 2 0 356.514 3.037 20 0 FGADRP Cc1cc(C[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)ccc1Br ZINC000530248710 503893919 /nfs/dbraw/zinc/89/39/19/503893919.db2.gz OKNTXJNBLKZSRJ-QGZVFWFLSA-N 2 0 367.331 3.348 20 0 FGADRP COc1ccc(C[C@@H](C)C[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)cc1F ZINC000530248306 503894532 /nfs/dbraw/zinc/89/45/32/503894532.db2.gz INMPFYHDONIETP-APWZRJJASA-N 2 0 364.505 3.103 20 0 FGADRP Cc1nn(C(C)(C)C)c(C)c1C[NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000533741320 503938699 /nfs/dbraw/zinc/93/86/99/503938699.db2.gz GBGWQENVGQGVRV-IYBDPMFKSA-N 2 0 350.551 3.234 20 0 FGADRP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1Nc1cccc(OCC[NH+](C)C)c1 ZINC000537534148 503945142 /nfs/dbraw/zinc/94/51/42/503945142.db2.gz APIIUZWEFHUHKS-PGRDOPGGSA-N 2 0 368.525 3.345 20 0 FGADRP CCn1c2ccccc2nc1C[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000540952542 503952719 /nfs/dbraw/zinc/95/27/19/503952719.db2.gz PFZAMZMZCUEKPA-UHFFFAOYSA-N 2 0 370.541 3.381 20 0 FGADRP CC(C)[C@@H]1CN(C(=O)N[C@H]2CC[NH+](C)[C@H](C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000527812236 503956183 /nfs/dbraw/zinc/95/61/83/503956183.db2.gz VVDOVYWGOOFTCH-GIVPXCGWSA-N 2 0 372.557 3.021 20 0 FGADRP C[NH+](C)[C@@H](CNC(=O)NCC1([NH+](C)C)CCCCCC1)Cc1ccccc1 ZINC000533809776 503957380 /nfs/dbraw/zinc/95/73/80/503957380.db2.gz WEZZPNLULLLQCR-HXUWFJFHSA-N 2 0 374.573 3.113 20 0 FGADRP CCN1CC[NH+](CCCC[NH2+][C@H]2CCc3cc(F)c(Cl)cc32)CC1 ZINC000527855450 503973496 /nfs/dbraw/zinc/97/34/96/503973496.db2.gz XVHSLVQJRVZPTN-IBGZPJMESA-N 2 0 353.913 3.474 20 0 FGADRP C[C@H]([NH2+]Cc1cccc(OCC[N@H+](C)C2CCOCC2)c1)[C@@H]1CC12CC2 ZINC000527859864 503976246 /nfs/dbraw/zinc/97/62/46/503976246.db2.gz RMOXCCYWRYQMQR-UWJYYQICSA-N 2 0 358.526 3.454 20 0 FGADRP Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH+]1CCC(OCC[NH+](C)C)CC1 ZINC000537629398 503983252 /nfs/dbraw/zinc/98/32/52/503983252.db2.gz FLNJHLLSXGZILR-UHFFFAOYSA-N 2 0 374.504 3.171 20 0 FGADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2cc3ccccc3nc2OC)C1 ZINC000537649140 503992401 /nfs/dbraw/zinc/99/24/01/503992401.db2.gz GKZRKZRYDHVNDV-LJQANCHMSA-N 2 0 357.498 3.176 20 0 FGADRP C[C@@H]([NH2+]C[C@@H](n1cccn1)C(F)(F)F)c1ccc(OCC[NH+](C)C)cc1 ZINC000527939671 504007528 /nfs/dbraw/zinc/00/75/28/504007528.db2.gz PWTAISWGAWISON-RHSMWYFYSA-N 2 0 370.419 3.278 20 0 FGADRP CC[N@H+](C)Cc1cccc(C[NH2+]C[C@@H](O)COc2ccccc2Cl)c1 ZINC000518519423 504007970 /nfs/dbraw/zinc/00/79/70/504007970.db2.gz TZGNIHMQMQEJKN-GOSISDBHSA-N 2 0 362.901 3.321 20 0 FGADRP C[C@H]([NH2+]CC(C)(C)C(=O)N1CCCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000528016297 504041385 /nfs/dbraw/zinc/04/13/85/504041385.db2.gz RDSLGBSBLQKTTP-ICSRJNTNSA-N 2 0 357.542 3.135 20 0 FGADRP Cc1cc([C@@H]([NH2+]CCCN2CCC[N@@H+](C)CC2)c2cccnc2)ccc1F ZINC000544358145 504102710 /nfs/dbraw/zinc/10/27/10/504102710.db2.gz LTDKWFJRRALDSU-JOCHJYFZSA-N 2 0 370.516 3.236 20 0 FGADRP Cc1cnccc1NC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000534325968 504110851 /nfs/dbraw/zinc/11/08/51/504110851.db2.gz KHDNOBFEHZRTDE-SFHVURJKSA-N 2 0 358.873 3.424 20 0 FGADRP CC[NH+](CC)CCN(Cc1ccccc1)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000519017928 504119262 /nfs/dbraw/zinc/11/92/62/504119262.db2.gz XQBCITJSSOYYEO-NHCUHLMSSA-N 2 0 372.557 3.167 20 0 FGADRP C[C@@H](CCNC(=O)NCC(C)(C)[N@@H+]1CCC[C@H](C)C1)[NH+]1CCCCC1 ZINC000541441517 504131415 /nfs/dbraw/zinc/13/14/15/504131415.db2.gz FYXJNEWPLGXJJF-ROUUACIJSA-N 2 0 352.567 3.061 20 0 FGADRP C[NH+]1CCC(C[NH2+]Cc2cn(-c3ccc(Cl)cc3Cl)nn2)CC1 ZINC000534464857 504149658 /nfs/dbraw/zinc/14/96/58/504149658.db2.gz QKIKOGUHMVYFKV-UHFFFAOYSA-N 2 0 354.285 3.006 20 0 FGADRP Cc1nc2ccccc2n1C[C@H]1CCC[N@H+]1CCC(=O)N1CCC[C@@H]1C ZINC000534471974 504150980 /nfs/dbraw/zinc/15/09/80/504150980.db2.gz GIWPLEBISWDHBX-FUHWJXTLSA-N 2 0 354.498 3.210 20 0 FGADRP CN(C)CC[NH+]1CCC(C[NH2+][C@H](c2ccc(F)cc2)c2ccccn2)CC1 ZINC000541545741 504171133 /nfs/dbraw/zinc/17/11/33/504171133.db2.gz PDAXCWHQAFXALL-JOCHJYFZSA-N 2 0 370.516 3.173 20 0 FGADRP CC[C@H]1CCCC[N@@H+]1CC(=O)N1CCC[NH+](Cc2ccccc2C)CC1 ZINC000519286044 504184173 /nfs/dbraw/zinc/18/41/73/504184173.db2.gz SZLLGAMCPYGGGG-NRFANRHFSA-N 2 0 357.542 3.294 20 0 FGADRP C[C@H]1CCC[N@H+](CCN[C@H]2CC3(CC[NH+](C)CC3)Oc3ccccc32)C1 ZINC000538276008 504185481 /nfs/dbraw/zinc/18/54/81/504185481.db2.gz MFCQKGFZCATSIY-ICSRJNTNSA-N 2 0 357.542 3.296 20 0 FGADRP C[C@@H](CNC(=O)CC[N@H+](C)C1CCCCC1)N1CCc2sccc2C1 ZINC000547732295 504202469 /nfs/dbraw/zinc/20/24/69/504202469.db2.gz VLBLSGCJBHMSSU-INIZCTEOSA-N 2 0 363.571 3.266 20 0 FGADRP CCc1ccc([C@@H](CNC(=O)N2CC[C@H]([NH+]3CCCCC3)C2)[NH+](C)C)cc1 ZINC000519383440 504208084 /nfs/dbraw/zinc/20/80/84/504208084.db2.gz WOTBAVRTYARFPU-LEWJYISDSA-N 2 0 372.557 3.122 20 0 FGADRP C[C@@H](CC[NH+](C)C)NC(=O)NC[C@@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC000519449724 504223682 /nfs/dbraw/zinc/22/36/82/504223682.db2.gz KXWDDRXROBVIPB-ICSRJNTNSA-N 2 0 360.546 3.099 20 0 FGADRP C[C@H](CC[NH+](C)C)NC(=O)NCc1ccc(C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000519452995 504224097 /nfs/dbraw/zinc/22/40/97/504224097.db2.gz RVFFFJJVOSJDSJ-GUDVDZBRSA-N 2 0 374.573 3.304 20 0 FGADRP Cc1ccc([C@H]2CC[N@@H+](CC(=O)NC[C@@H](c3ccccc3)[NH+](C)C)C2)cc1 ZINC000547787245 504225399 /nfs/dbraw/zinc/22/53/99/504225399.db2.gz RGBZATISTNPKFX-VXKWHMMOSA-N 2 0 365.521 3.203 20 0 FGADRP COC(=O)c1occc1C[NH2+]CC1CC[NH+](Cc2ccc(OC)cc2)CC1 ZINC000538396525 504234524 /nfs/dbraw/zinc/23/45/24/504234524.db2.gz ZFWPMZZZHGIAQA-UHFFFAOYSA-N 2 0 372.465 3.077 20 0 FGADRP C[C@H]1C[C@@H]1c1ccc(C[NH2+]CCCN2CCN(c3cc[nH+]cc3)CC2)o1 ZINC000538398459 504235568 /nfs/dbraw/zinc/23/55/68/504235568.db2.gz NDJKGIYZRJIBGS-PXNSSMCTSA-N 2 0 354.498 3.100 20 0 FGADRP C[C@H]1C[N@H+](CCOc2ccc(CC[NH2+]Cc3cccn3C)cc2)C[C@H]1C ZINC000538454898 504250865 /nfs/dbraw/zinc/25/08/65/504250865.db2.gz UVGIUEKKBYTFHL-KDURUIRLSA-N 2 0 355.526 3.324 20 0 FGADRP CC[NH+](CC)[C@@H]1CCN(C(=O)NC[C@@H](c2ccc(Cl)cc2)[NH+](C)C)C1 ZINC000531317757 504263455 /nfs/dbraw/zinc/26/34/55/504263455.db2.gz AJBRJQSMXWWBIE-MSOLQXFVSA-N 2 0 366.937 3.068 20 0 FGADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)CCN(C)c1cc[nH+]cc1 ZINC000541858028 504279296 /nfs/dbraw/zinc/27/92/96/504279296.db2.gz YDILUSFRWMXNSW-UHFFFAOYSA-N 2 0 354.498 3.065 20 0 FGADRP c1ccc(C[N@H+]2CCC3(C2)CC[NH+](CCOC[C@@H]2CCCO2)CC3)cc1 ZINC000534964766 504296603 /nfs/dbraw/zinc/29/66/03/504296603.db2.gz AHZUDVOWLYDNER-NRFANRHFSA-N 2 0 358.526 3.170 20 0 FGADRP OC[C@H]1CCC2(CCOCC2)C[N@@H+]1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000528636887 504304362 /nfs/dbraw/zinc/30/43/62/504304362.db2.gz FGMHMUMRPKZOTC-JOCHJYFZSA-N 2 0 372.553 3.426 20 0 FGADRP CC1CC[NH+]([C@@H](CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)c2ccccc2)CC1 ZINC000548083714 504323493 /nfs/dbraw/zinc/32/34/93/504323493.db2.gz ZZEBTPWYRFQFEJ-JBACZVJFSA-N 2 0 357.542 3.306 20 0 FGADRP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(OCc3noc(C)n3)cc2)C[C@@H]1C ZINC000538720178 504342783 /nfs/dbraw/zinc/34/27/83/504342783.db2.gz KYBHCWKCIKXFIW-YJBOKZPZSA-N 2 0 358.486 3.262 20 0 FGADRP C[NH+](C)CCOC1CC[NH+](Cc2cnc(-c3ccsc3)s2)CC1 ZINC000538733037 504349546 /nfs/dbraw/zinc/34/95/46/504349546.db2.gz MFCKHTUBIUHJLY-UHFFFAOYSA-N 2 0 351.541 3.414 20 0 FGADRP C[C@@H]([NH2+]CCCN(C)CC(F)(F)F)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000548155881 504351198 /nfs/dbraw/zinc/35/11/98/504351198.db2.gz ZFEXWIOSMMQCCX-AEFFLSMTSA-N 2 0 357.464 3.371 20 0 FGADRP CC[NH+](CC)[C@H](C(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000535147112 504355326 /nfs/dbraw/zinc/35/53/26/504355326.db2.gz IBFLGQPVDBVPLW-RTWAWAEBSA-N 2 0 357.542 3.260 20 0 FGADRP Cc1cc(C(=O)Nc2cnccc2-n2ccnc2)c(C)n1Cc1ccncc1 ZINC000545147461 504375031 /nfs/dbraw/zinc/37/50/31/504375031.db2.gz WNEMMZHCGCSHOW-UHFFFAOYSA-N 2 0 372.432 3.381 20 0 FGADRP COc1ccc(C)cc1C1(C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)CCOCC1 ZINC000531695337 504394707 /nfs/dbraw/zinc/39/47/07/504394707.db2.gz VKBAABLKMLLAGT-WSTZPKSXSA-N 2 0 360.542 3.370 20 0 FGADRP COc1cccc(CC[NH2+][C@H]2CCN(Cc3ccccn3)C[C@@H]2C)c1OC ZINC000531700284 504396861 /nfs/dbraw/zinc/39/68/61/504396861.db2.gz FOKIYDJWFLDIOQ-PXNSSMCTSA-N 2 0 369.509 3.142 20 0 FGADRP C[NH+]1CCN(C[C@H]([NH2+][C@@H]2CCC[C@H]([C@H]3CCOC3)C2)c2ccccc2)CC1 ZINC000545274751 504425916 /nfs/dbraw/zinc/42/59/16/504425916.db2.gz MFDRWLMVRWKOTC-GPJHCHHRSA-N 2 0 371.569 3.160 20 0 FGADRP Cn1ccnc1[C@H]1CCN(C(=O)[C@H]2CCCN2Cc2ccc(Cl)cc2)C1 ZINC000528908855 504444739 /nfs/dbraw/zinc/44/47/39/504444739.db2.gz RPEBGLCOHYBPLW-FUHWJXTLSA-N 2 0 372.900 3.054 20 0 FGADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]C[C@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000539048129 504455793 /nfs/dbraw/zinc/45/57/93/504455793.db2.gz ZTLNSCXIYRLOFZ-OYYCAODRSA-N 2 0 353.913 3.402 20 0 FGADRP C[C@H]1CC[N@H+](CCNC(=O)c2cccc(C[NH+](C)Cc3ccccc3)c2)C1 ZINC000542351979 504459740 /nfs/dbraw/zinc/45/97/40/504459740.db2.gz QQCWPJDRESHZEX-IBGZPJMESA-N 2 0 365.521 3.390 20 0 FGADRP C[C@@H]([NH2+]CCC(=O)NCc1ccccc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000548483286 504460938 /nfs/dbraw/zinc/46/09/38/504460938.db2.gz WAGWAPPDUDMGKI-KNQAVFIVSA-N 2 0 365.521 3.193 20 0 FGADRP COC1CC[NH+](C(C)(C)CN[C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000548483525 504462345 /nfs/dbraw/zinc/46/23/45/504462345.db2.gz CDDVQYRHYLNWGH-TZIWHRDSSA-N 2 0 373.585 3.376 20 0 FGADRP C[C@@H]([NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc2c(c1)CCC(=O)N2 ZINC000539075802 504465632 /nfs/dbraw/zinc/46/56/32/504465632.db2.gz LMTUHSTWIQORQR-IXDOHACOSA-N 2 0 359.514 3.111 20 0 FGADRP C[C@@H]1CN(C)C[C@H]1[NH2+]C1CCN(Cc2cccc(C(F)(F)F)c2)CC1 ZINC000531938370 504480811 /nfs/dbraw/zinc/48/08/11/504480811.db2.gz HFJFKAGRECLOFD-RDTXWAMCSA-N 2 0 355.448 3.210 20 0 FGADRP Cc1nn(-c2cc[nH+]cc2)cc1CN1CCC[N@H+](Cc2ccccc2)CC1 ZINC000542466136 504501668 /nfs/dbraw/zinc/50/16/68/504501668.db2.gz HLBOTBMITZYXHS-UHFFFAOYSA-N 2 0 361.493 3.284 20 0 FGADRP C[C@H]([NH2+]CCc1ccc(OCC[NH+]2C[C@H](C)[C@@H](C)C2)cc1)c1cnn(C)c1 ZINC000539294737 504521765 /nfs/dbraw/zinc/52/17/65/504521765.db2.gz FKWPGFMLKNBAQG-FHWLQOOXSA-N 2 0 370.541 3.280 20 0 FGADRP CC[C@H]([NH2+]CCc1ccc(OCC[NH+]2CCCC2)cc1)C1CCOCC1 ZINC000539297865 504523242 /nfs/dbraw/zinc/52/32/42/504523242.db2.gz NSBOFTGYIDFGCU-QFIPXVFZSA-N 2 0 360.542 3.499 20 0 FGADRP CC[NH+](CC)CCN(Cc1ccccc1)C(=O)NCC[NH+]1CCC(C)CC1 ZINC000520544253 504524720 /nfs/dbraw/zinc/52/47/20/504524720.db2.gz SPLYFBRZLMKLIO-UHFFFAOYSA-N 2 0 374.573 3.272 20 0 FGADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]C[C@@]1(O)CCC[C@H](C(F)(F)F)C1 ZINC000548691546 504529367 /nfs/dbraw/zinc/52/93/67/504529367.db2.gz OWJUWEJWEBYCPR-DOTOQJQBSA-N 2 0 368.403 3.149 20 0 FGADRP CC[NH+](CC)CCCNC(=O)N1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000520577076 504532905 /nfs/dbraw/zinc/53/29/05/504532905.db2.gz KQONHJXHTGKMKZ-UHFFFAOYSA-N 2 0 360.546 3.024 20 0 FGADRP CC[C@@H]([NH2+]Cc1ccc(CN2CC[NH+](CC)CC2)cc1)C1CCOCC1 ZINC000532192730 504568628 /nfs/dbraw/zinc/56/86/28/504568628.db2.gz GRDRFYCWPPRLMZ-JOCHJYFZSA-N 2 0 359.558 3.119 20 0 FGADRP C[C@H]([NH2+][C@H](CN1CC[NH+](C)CC1)c1ccccc1)c1ccc2c(c1)COC2 ZINC000532214321 504575546 /nfs/dbraw/zinc/57/55/46/504575546.db2.gz KDGWMTXKSBVENX-FDDCHVKYSA-N 2 0 365.521 3.356 20 0 FGADRP C[C@@H](CNC(=O)C1CC[NH+](Cc2ccccc2)CC1)[NH+]1CCC(C)CC1 ZINC000520856261 504597173 /nfs/dbraw/zinc/59/71/73/504597173.db2.gz WLIDYVKFBAUIKG-IBGZPJMESA-N 2 0 357.542 3.135 20 0 FGADRP c1csc(N2CCC([NH2+]Cc3ccc(Cn4ccnc4)cc3)CC2)n1 ZINC000520871827 504600785 /nfs/dbraw/zinc/60/07/85/504600785.db2.gz YPIHLHXREVQBMV-UHFFFAOYSA-N 2 0 353.495 3.147 20 0 FGADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)NCCCC[NH+]1CCC[C@@H](C)C1 ZINC000520887486 504603428 /nfs/dbraw/zinc/60/34/28/504603428.db2.gz WPUQHAIPWSHRFO-WOJBJXKFSA-N 2 0 366.594 3.452 20 0 FGADRP C[C@H](NC(=O)N1CCC[N@@H+](C(C)(C)C)CC1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000542823086 504625719 /nfs/dbraw/zinc/62/57/19/504625719.db2.gz IWPKNMSSLVHNRC-ROUUACIJSA-N 2 0 364.578 3.155 20 0 FGADRP CC(C)C[C@H]([NH2+][C@H](C)c1ccc(Cl)c(F)c1)C(=O)NCC[NH+](C)C ZINC000539647073 504637701 /nfs/dbraw/zinc/63/77/01/504637701.db2.gz SKOOXCWOCJGWQW-DYVFJYSZSA-N 2 0 357.901 3.222 20 0 FGADRP Cc1ccc(NC2CC[NH+](CC3CC3)CC2)cc1NC(=O)CC[NH+](C)C ZINC000545952118 504652597 /nfs/dbraw/zinc/65/25/97/504652597.db2.gz LHHORZVSCWYPON-UHFFFAOYSA-N 2 0 358.530 3.172 20 0 FGADRP C[C@@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)c1sccc1Br ZINC000532482122 504665302 /nfs/dbraw/zinc/66/53/02/504665302.db2.gz OWVUSIDCXUJBAW-CYBMUJFWSA-N 2 0 374.392 3.435 20 0 FGADRP Cc1ccc2[nH]c(C[N@H+]3CC[C@@H](N4CC[NH+](C(C)C)CC4)C3)cc2c1C ZINC000546035174 504682627 /nfs/dbraw/zinc/68/26/27/504682627.db2.gz SZZMCNLRUHJTNF-HXUWFJFHSA-N 2 0 354.542 3.385 20 0 FGADRP CC(C)[NH+]1CCC([NH2+]C[C@@H](CO)Cc2cccc(OC(F)(F)F)c2)CC1 ZINC000532531840 504684890 /nfs/dbraw/zinc/68/48/90/504684890.db2.gz UDKDNTGUFRKMEK-INIZCTEOSA-N 2 0 374.447 3.199 20 0 FGADRP C[N@H+](CCN1CC[NH+](C[C@H]2CCC3(CCCC3)O2)CC1)Cc1ccccc1 ZINC000549139223 504700355 /nfs/dbraw/zinc/70/03/55/504700355.db2.gz TTWQYVFAEBPTIL-JOCHJYFZSA-N 2 0 371.569 3.228 20 0 FGADRP Cc1nn(-c2ccccc2)c(C)c1C[NH+]1CCC(OCC[NH+](C)C)CC1 ZINC000539831443 504707858 /nfs/dbraw/zinc/70/78/58/504707858.db2.gz DLYZQROUBGTWCJ-UHFFFAOYSA-N 2 0 356.514 3.032 20 0 FGADRP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccccc3OCC3CC3)C2)CC1 ZINC000539863159 504720648 /nfs/dbraw/zinc/72/06/48/504720648.db2.gz IWUCBFSEIOKFKU-OAQYLSRUSA-N 2 0 357.542 3.076 20 0 FGADRP CC[NH+](CC)CC1CCN(C(=O)c2ccccc2CC2CC[NH2+]CC2)CC1 ZINC000521629459 504766286 /nfs/dbraw/zinc/76/62/86/504766286.db2.gz NZIHTCOKTLXGQL-UHFFFAOYSA-N 2 0 371.569 3.423 20 0 FGADRP COC1CC[NH+](C(C)(C)CN[C@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)CC1 ZINC000556076508 504791594 /nfs/dbraw/zinc/79/15/94/504791594.db2.gz OJKPTUJSGQTLDG-FPOVZHCZSA-N 2 0 359.558 3.301 20 0 FGADRP Brc1cnccc1N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000565126331 504802164 /nfs/dbraw/zinc/80/21/64/504802164.db2.gz ODOTYMMKMCOAPZ-IYBDPMFKSA-N 2 0 358.283 3.412 20 0 FGADRP COc1ccccc1[C@H](CNC(=O)C[N@@H+]1CCC(C)(C)C1)[NH+]1CCCCC1 ZINC000553020924 504806455 /nfs/dbraw/zinc/80/64/55/504806455.db2.gz CBLKOYIKGSYXLH-IBGZPJMESA-N 2 0 373.541 3.070 20 0 FGADRP C[C@H]1CCCC[N@@H+]1CCC(=O)N1CC[C@H](C)[NH+](Cc2ccccc2)CC1 ZINC000559276613 504817125 /nfs/dbraw/zinc/81/71/25/504817125.db2.gz SZQPUWDABLUTJL-PMACEKPBSA-N 2 0 357.542 3.374 20 0 FGADRP C[C@H](c1ccc(F)cc1)N1CC[C@@H]([NH+]2CCC(c3c[nH]cn3)CC2)C1=O ZINC000549526835 504842526 /nfs/dbraw/zinc/84/25/26/504842526.db2.gz ANNUBFDJCRDSKO-AUUYWEPGSA-N 2 0 356.445 3.090 20 0 FGADRP C[C@@H](C(=O)N1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000553172693 504844179 /nfs/dbraw/zinc/84/41/79/504844179.db2.gz YYEVDEBPDCDMAC-SRYPRDQNSA-N 2 0 369.553 3.372 20 0 FGADRP c1sc(-c2ccc3c(c2)OCO3)nc1C[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000565302958 504849197 /nfs/dbraw/zinc/84/91/97/504849197.db2.gz ICRPPJGHRZBFLN-JKSUJKDBSA-N 2 0 371.506 3.360 20 0 FGADRP Cc1cn2cc(NC(=O)N[C@@H]3CC[N@H+](Cc4ccccc4)[C@H]3C)ccc2n1 ZINC000565445859 504889019 /nfs/dbraw/zinc/88/90/19/504889019.db2.gz TTWGAGCGMAOFTE-QFBILLFUSA-N 2 0 363.465 3.427 20 0 FGADRP Clc1ccc([C@H]2CCC[C@H]2[NH2+]Cc2nnc(C3CC[NH2+]CC3)[nH]2)cc1 ZINC000565476556 504899115 /nfs/dbraw/zinc/89/91/15/504899115.db2.gz RPBXOQSEFDQPLJ-IAGOWNOFSA-N 2 0 359.905 3.351 20 0 FGADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH+]1CCC(F)(c2cccnc2)CC1 ZINC000565530669 504914143 /nfs/dbraw/zinc/91/41/43/504914143.db2.gz XAZJOUKPIASYCB-UHFFFAOYSA-N 2 0 351.429 3.432 20 0 FGADRP C[C@@H]1C[N@@H+](CCCC[NH2+][C@@H]2CCN(C)[C@H](c3ccccc3)C2)C[C@H](C)O1 ZINC000559742852 504921411 /nfs/dbraw/zinc/92/14/11/504921411.db2.gz GQLYLJCLAMNTAR-KIZRIRGWSA-N 2 0 359.558 3.301 20 0 FGADRP c1ccc2c(c1)C[C@H]([NH2+]CCc1ccc(OCC[NH+]3CCCC3)cc1)CO2 ZINC000559788078 504928007 /nfs/dbraw/zinc/92/80/07/504928007.db2.gz SMJLIERVSVYHHX-NRFANRHFSA-N 2 0 366.505 3.297 20 0 FGADRP CCCN(CC[NH+]1CCCCC1)C(=O)[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000553487302 504929323 /nfs/dbraw/zinc/92/93/23/504929323.db2.gz SCLJSGXIFRFSTA-NRFANRHFSA-N 2 0 372.557 3.018 20 0 FGADRP C[C@H]1C[C@@H](NC(=O)Nc2cccc3c2CC[NH2+]C3)C[N@@H+]1Cc1ccccc1 ZINC000562767652 504938562 /nfs/dbraw/zinc/93/85/62/504938562.db2.gz LGIBUMMJVGBOPZ-QFBILLFUSA-N 2 0 364.493 3.117 20 0 FGADRP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000562818921 504955884 /nfs/dbraw/zinc/95/58/84/504955884.db2.gz TYRPIBSVNGOISH-SESVDKBCSA-N 2 0 372.557 3.200 20 0 FGADRP CC[C@@H]([NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1)C(C)(C)c1ccccc1 ZINC000553623947 504966290 /nfs/dbraw/zinc/96/62/90/504966290.db2.gz BXEAAJLGMMIFAT-HXUWFJFHSA-N 2 0 357.542 3.075 20 0 FGADRP C[NH+](C)[C@@H](CNC(=O)NC1CCC([NH+](C)C)CC1)c1ccc(Cl)cc1 ZINC000562932490 504991974 /nfs/dbraw/zinc/99/19/74/504991974.db2.gz OTAWCVLMJJWRLZ-ABHNRTSZSA-N 2 0 366.937 3.115 20 0 FGADRP CN(C)[C@]1(C[NH2+]C2CCC([N@H+](C)Cc3ccccc3)CC2)CCSC1 ZINC000556869997 505000913 /nfs/dbraw/zinc/00/09/13/505000913.db2.gz BAKSWUKHEAZIPK-CBNMVNINSA-N 3 0 361.599 3.457 20 0 FGADRP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000565862056 505008816 /nfs/dbraw/zinc/00/88/16/505008816.db2.gz TYIXVMVIHSCCAW-NRFANRHFSA-N 2 0 372.557 3.154 20 0 FGADRP COc1cc(C[NH+]2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)ccc1OC(C)C ZINC000556963557 505032309 /nfs/dbraw/zinc/03/23/09/505032309.db2.gz PRTJBVYOZCBTHY-ICSRJNTNSA-N 2 0 362.514 3.201 20 0 FGADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000565940632 505033372 /nfs/dbraw/zinc/03/33/72/505033372.db2.gz ZWWCMCUDPKFXSI-UHFFFAOYSA-N 2 0 366.509 3.448 20 0 FGADRP CC1(C(=O)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)CC[NH+](Cc2ccccc2)CC1 ZINC000563099967 505048146 /nfs/dbraw/zinc/04/81/46/505048146.db2.gz JGIPIFVLXGGXFN-SFTDATJTSA-N 2 0 369.553 3.137 20 0 FGADRP CCOC(=O)c1nc(-c2ccccc2)oc1C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000563150040 505060256 /nfs/dbraw/zinc/06/02/56/505060256.db2.gz UUONFLJBUSNJLO-UHFFFAOYSA-N 2 0 369.465 3.094 20 0 FGADRP CCCC[N@H+](C)CCNC(=O)N1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000554003992 505064744 /nfs/dbraw/zinc/06/47/44/505064744.db2.gz FFPIRWMATRJGMG-QFIPXVFZSA-N 2 0 372.557 3.026 20 0 FGADRP C[C@@H]1C[C@@H]([NH2+]C[C@H](O)COc2ccc(Oc3ccccc3)cc2)CC[N@@H+]1C ZINC000566063611 505070171 /nfs/dbraw/zinc/07/01/71/505070171.db2.gz DUPKJRPKNOKMBW-QYZOEREBSA-N 2 0 370.493 3.291 20 0 FGADRP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)C[C@@H](O)Cc3ccccc3)C2)s1 ZINC000566071281 505071984 /nfs/dbraw/zinc/07/19/84/505071984.db2.gz SUSSAJNYMPTVCQ-PMACEKPBSA-N 2 0 358.551 3.414 20 0 FGADRP CC[C@@H]1C[N@H+](C)CCN1C(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000560410078 505075569 /nfs/dbraw/zinc/07/55/69/505075569.db2.gz DZUOMVRLYXBIEA-LJQANCHMSA-N 2 0 374.529 3.109 20 0 FGADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCc2nc(-c3ccc(F)cc3F)cn2C1 ZINC000566088766 505076104 /nfs/dbraw/zinc/07/61/04/505076104.db2.gz KZFVDFMHBXJLNR-JOQOYGCGSA-N 2 0 360.452 3.250 20 0 FGADRP Cc1ccc(NC(=O)C2(C[NH2+][C@@H]3CCOC[C@H]3[C@H](C)[NH3+])CCCC2)cc1C ZINC000566089339 505077236 /nfs/dbraw/zinc/07/72/36/505077236.db2.gz ZVSORZSDUHPHBP-YSIASYRMSA-N 2 0 373.541 3.144 20 0 FGADRP Clc1ccc2sc(C3CC[NH+](CCN4CC[NH2+]CC4)CC3)nc2c1 ZINC000563215654 505077784 /nfs/dbraw/zinc/07/77/84/505077784.db2.gz LXAVTEUQANYBNC-UHFFFAOYSA-N 2 0 364.946 3.034 20 0 FGADRP CC1(C(=O)N2C[C@@H]([NH3+])Cc3ccccc32)CC[NH+](Cc2ccccc2)CC1 ZINC000566103750 505081290 /nfs/dbraw/zinc/08/12/90/505081290.db2.gz JKIODWVYZYISPI-FQEVSTJZSA-N 2 0 363.505 3.205 20 0 FGADRP CC1(C(=O)N2C[C@H]([NH3+])Cc3ccccc32)CC[NH+](Cc2ccccc2)CC1 ZINC000566103751 505081536 /nfs/dbraw/zinc/08/15/36/505081536.db2.gz JKIODWVYZYISPI-HXUWFJFHSA-N 2 0 363.505 3.205 20 0 FGADRP C[N@@H+]1CC[C@H](NCC2([NH+]3CCCCC3)CCOCC2)C[C@H]1c1ccccc1 ZINC000550700348 505085913 /nfs/dbraw/zinc/08/59/13/505085913.db2.gz GASOQRJJKYWSGV-VXKWHMMOSA-N 2 0 371.569 3.447 20 0 FGADRP C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)[C@H]([NH3+])C2CCC2)cc1 ZINC000566171372 505103598 /nfs/dbraw/zinc/10/35/98/505103598.db2.gz CKYWPVNQQLOANK-OAQYLSRUSA-N 2 0 351.494 3.159 20 0 FGADRP O=C(Nc1ccc2c(c1)C[NH2+]C2)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000566211168 505112620 /nfs/dbraw/zinc/11/26/20/505112620.db2.gz GKWPFGLPLWRMTI-QGZVFWFLSA-N 2 0 353.441 3.280 20 0 FGADRP C[C@H](C[NH2+][C@H](c1cccc(OC(F)(F)F)c1)C1CC1)N1CC[NH+](C)CC1 ZINC000560529916 505116312 /nfs/dbraw/zinc/11/63/12/505116312.db2.gz MOYINTNXBMTQRS-KDOFPFPSSA-N 2 0 371.447 3.262 20 0 FGADRP c1ccc(N2CCO[C@H](C[NH+]3CCC(CCC[NH+]4CCCC4)CC3)C2)cc1 ZINC000563350127 505116881 /nfs/dbraw/zinc/11/68/81/505116881.db2.gz LJBVEQUJOJZLTA-HSZRJFAPSA-N 2 0 371.569 3.480 20 0 FGADRP c1ccc(OCc2cccnc2)c(C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)c1 ZINC000566230300 505118889 /nfs/dbraw/zinc/11/88/89/505118889.db2.gz ZZHHOVLGYAAGOK-FQEVSTJZSA-N 2 0 351.494 3.482 20 0 FGADRP COC(=O)c1sc2ccccc2c1C[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000566245805 505122398 /nfs/dbraw/zinc/12/23/98/505122398.db2.gz TVGBPBVPCIUXSN-AEFFLSMTSA-N 2 0 374.506 3.016 20 0 FGADRP CN1CCC([NH+]2CCC(CC[N@H+](C)Cc3ccc4c(c3)CCO4)CC2)CC1 ZINC000560566728 505128701 /nfs/dbraw/zinc/12/87/01/505128701.db2.gz NMBKSPKJDYFXNJ-UHFFFAOYSA-N 2 0 371.569 3.250 20 0 FGADRP C[NH+](C)CCc1ccc(C(=O)N2CCC[N@H+](Cc3ccccc3)CC2)cc1 ZINC000557465438 505141995 /nfs/dbraw/zinc/14/19/95/505141995.db2.gz NHARDYIZJHRKCN-UHFFFAOYSA-N 2 0 365.521 3.139 20 0 FGADRP C[C@@H]1CN(C(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)C[C@@]1(C)C[NH3+] ZINC000563452836 505145735 /nfs/dbraw/zinc/14/57/35/505145735.db2.gz LANHNFQNYDGFHD-DYESRHJHSA-N 2 0 358.530 3.164 20 0 FGADRP CC[NH+](CC)CCOc1ccc(NC(=O)N2CC[C@]3(C2)CCC[NH2+]C3)cc1 ZINC000563453466 505145749 /nfs/dbraw/zinc/14/57/49/505145749.db2.gz GVYVJKQSINZXCK-OAQYLSRUSA-N 2 0 374.529 3.015 20 0 FGADRP CC(C)[C@@H](C(=O)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2)[NH+](C)C ZINC000554412852 505169738 /nfs/dbraw/zinc/16/97/38/505169738.db2.gz SVZBPXBAKTZXKP-FQEVSTJZSA-N 2 0 357.542 3.087 20 0 FGADRP C[C@@H]([NH2+][C@@H]1CCOC2(CCOCC2)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000560920542 505211339 /nfs/dbraw/zinc/21/13/39/505211339.db2.gz SAEAKOXMLNMULQ-IEBWSBKVSA-N 2 0 362.514 3.006 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1ccc(SC)c(OC)c1 ZINC000563751455 505228248 /nfs/dbraw/zinc/22/82/48/505228248.db2.gz CJJQPCGHOPHDKA-SFHVURJKSA-N 2 0 365.587 3.265 20 0 FGADRP C[C@@H]1CN(C(=O)[C@H]2CCCC[NH+]2Cc2ccccc2)CC[N@@H+](C2CCC2)C1 ZINC000557837735 505243274 /nfs/dbraw/zinc/24/32/74/505243274.db2.gz WPVIWTXDCUFJAH-SIKLNZKXSA-N 2 0 369.553 3.374 20 0 FGADRP C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC000561154062 505265653 /nfs/dbraw/zinc/26/56/53/505265653.db2.gz NUPOJRUGUBJRLI-OALUTQOASA-N 2 0 359.558 3.279 20 0 FGADRP O=C(C[NH2+][C@@H](c1cccc(F)c1)C1CCCC1)NC1CC[NH+](C2CC2)CC1 ZINC000561198956 505277487 /nfs/dbraw/zinc/27/74/87/505277487.db2.gz CVTLBVFWKYAIIA-JOCHJYFZSA-N 2 0 373.516 3.390 20 0 FGADRP C[C@@H]([NH2+]CCC(=O)NC1CCCCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000554856266 505282669 /nfs/dbraw/zinc/28/26/69/505282669.db2.gz NOQJUQQNNYJOPJ-QUCCMNQESA-N 2 0 357.542 3.326 20 0 FGADRP CC[NH+]1CCC(CNC(=O)NC2CC[NH+]([C@H](C)c3ccccc3)CC2)CC1 ZINC000558095934 505306959 /nfs/dbraw/zinc/30/69/59/505306959.db2.gz ORKKRXQWWOXIRN-GOSISDBHSA-N 2 0 372.557 3.243 20 0 FGADRP Cc1ccccc1C[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)C1CC1 ZINC000551793673 505309736 /nfs/dbraw/zinc/30/97/36/505309736.db2.gz OPSDESIPZMMAQS-QFIPXVFZSA-N 2 0 364.537 3.253 20 0 FGADRP [NH3+]C[C@H]1CC[C@H](CNC(=O)[C@H]2CCCCN2Cc2ccc(F)cc2)CC1 ZINC000566913860 505309813 /nfs/dbraw/zinc/30/98/13/505309813.db2.gz NFCOTCGUVLJOFQ-MBOZVWFJSA-N 2 0 361.505 3.062 20 0 FGADRP C[C@@H]([NH2+][C@@H](C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)C1CCCCC1 ZINC000567000417 505334787 /nfs/dbraw/zinc/33/47/87/505334787.db2.gz ZVYSCDSWTONLAS-LVCYWYKZSA-N 2 0 357.542 3.324 20 0 FGADRP O[C@H](CCc1ccccc1)C[NH+]1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000564294056 505374872 /nfs/dbraw/zinc/37/48/72/505374872.db2.gz UTNUEQHRRGJERM-HXUWFJFHSA-N 2 0 361.489 3.351 20 0 FGADRP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCN(c3ccccc3OC(F)F)C2)[C@@H]2CCC[C@@H]21 ZINC000552044160 505379957 /nfs/dbraw/zinc/37/99/57/505379957.db2.gz SLDLZTPXPDEWTB-QZWWFDLISA-N 2 0 365.468 3.329 20 0 FGADRP COc1ccc(CC[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)cc1OC(F)F ZINC000552044758 505380499 /nfs/dbraw/zinc/38/04/99/505380499.db2.gz LYUNGIDWOIJOAR-ARFHVFGLSA-N 2 0 354.441 3.302 20 0 FGADRP CCC[N@H+](C)[C@@H](CNC(=O)NCC[NH+](C)C1CC1)c1ccc(Cl)cc1 ZINC000561580736 505382832 /nfs/dbraw/zinc/38/28/32/505382832.db2.gz ZLSHIHZFGNDCEV-SFHVURJKSA-N 2 0 366.937 3.116 20 0 FGADRP Cc1ccc(NC(=O)NC[C@@H]2CCC[N@@H+](C[C@@H]3CC[NH2+][C@@H](C)C3)C2)cc1 ZINC000567242390 505405971 /nfs/dbraw/zinc/40/59/71/505405971.db2.gz SXXRFTVFTBMWLU-OTWHNJEPSA-N 2 0 358.530 3.217 20 0 FGADRP COc1ccc([C@H](C)[NH2+]CC2(SC)CC[NH+](C)CC2)c(C)c1OC ZINC000558509344 505412267 /nfs/dbraw/zinc/41/22/67/505412267.db2.gz NPMAJLCEIDSXDN-HNNXBMFYSA-N 2 0 352.544 3.490 20 0 FGADRP CCC[NH+]1CCC(C[NH2+]Cc2cn3ccc(Br)cc3n2)CC1 ZINC000567314852 505424995 /nfs/dbraw/zinc/42/49/95/505424995.db2.gz XVNMOOCBFDNKRX-UHFFFAOYSA-N 2 0 365.319 3.308 20 0 FGADRP CCc1ccccc1[C@@H]([NH3+])CNC(=O)Nc1cc(C[NH+](C)C)ccc1OC ZINC000567333359 505432805 /nfs/dbraw/zinc/43/28/05/505432805.db2.gz UHNGCKIEWCUJRV-SFHVURJKSA-N 2 0 370.497 3.141 20 0 FGADRP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+](C)C[C@H]1CC=CCC1 ZINC000561784850 505436825 /nfs/dbraw/zinc/43/68/25/505436825.db2.gz LKRQRCVNCJXDJP-UXHICEINSA-N 2 0 369.553 3.444 20 0 FGADRP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+](C)C[C@H]1CC=CCC1 ZINC000561784842 505437033 /nfs/dbraw/zinc/43/70/33/505437033.db2.gz LKRQRCVNCJXDJP-PMACEKPBSA-N 2 0 369.553 3.444 20 0 FGADRP COc1cc(C)cc(C[NH2+]C[C@H](O)Cn2cnc3cc(C)c(C)cc32)c1 ZINC000564562621 505453660 /nfs/dbraw/zinc/45/36/60/505453660.db2.gz JQNJHGNWDCWJBR-SFHVURJKSA-N 2 0 353.466 3.121 20 0 FGADRP COC(=O)c1ccc(-c2nc(CN3CC[C@@]4(C3)CCC[N@H+](C)C4)co2)cc1 ZINC000555598468 505469405 /nfs/dbraw/zinc/46/94/05/505469405.db2.gz VYHAQCPPOUCVTE-NRFANRHFSA-N 2 0 369.465 3.046 20 0 FGADRP FC(F)(F)[C@@H]1C[C@@H]([NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)CCO1 ZINC000562042090 505499606 /nfs/dbraw/zinc/49/96/06/505499606.db2.gz QLVMBZPMUVWGRO-WMZOPIPTSA-N 2 0 372.431 3.361 20 0 FGADRP FC(F)(F)[C@@H]1C[C@H]([NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)CCO1 ZINC000562042087 505499945 /nfs/dbraw/zinc/49/99/45/505499945.db2.gz QLVMBZPMUVWGRO-AEFFLSMTSA-N 2 0 372.431 3.361 20 0 FGADRP C[C@H](c1nc(-c2ccccc2)no1)[NH+]1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000567573904 505503019 /nfs/dbraw/zinc/50/30/19/505503019.db2.gz MREQCBRHGIJIQW-OLMNPRSZSA-N 2 0 356.470 3.016 20 0 FGADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1cccc(-c2nc(CC(F)(F)F)no2)c1 ZINC000562093064 505516237 /nfs/dbraw/zinc/51/62/37/505516237.db2.gz UWRVKSCZDULSAH-IUODEOHRSA-N 2 0 368.403 3.271 20 0 FGADRP [NH3+][C@H]1CCO[C@@H](C2CC[NH+](Cc3ncc(-c4ccc(F)cc4)o3)CC2)C1 ZINC000564788422 505520042 /nfs/dbraw/zinc/52/00/42/505520042.db2.gz HWTNPMJIBIUTJW-ZWKOTPCHSA-N 2 0 359.445 3.199 20 0 FGADRP [NH3+][C@@H]1C[C@H]([NH2+]CC2(c3ccc4c(c3)OCO4)CCOCC2)c2ccccc21 ZINC000567642334 505522877 /nfs/dbraw/zinc/52/28/77/505522877.db2.gz JMFLHGGZWFLHSY-MOPGFXCFSA-N 2 0 366.461 3.198 20 0 FGADRP C[NH+](C)[C@@H]1CCC[C@@H](Nc2cncc(N[C@H]3CCC[C@@H]([NH+](C)C)C3)n2)C1 ZINC000555925186 505539697 /nfs/dbraw/zinc/53/96/97/505539697.db2.gz IYNBEHNBSSSRCO-XMTFNYHQSA-N 2 0 360.550 3.046 20 0 FGADRP COc1cncc(/C=C\CC[NH+]2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c1 ZINC000564901053 505553631 /nfs/dbraw/zinc/55/36/31/505553631.db2.gz ZBZZHSVQBFCXFO-HAKIGUCZSA-N 2 0 373.541 3.315 20 0 FGADRP COc1ccc([C@H](C[NH+](C)C)NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)cc1 ZINC000552818319 505559528 /nfs/dbraw/zinc/55/95/28/505559528.db2.gz JZXMLSBRJNCRCS-RXVVDRJESA-N 2 0 373.541 3.069 20 0 FGADRP C[C@]1([NH3+])CCCC[C@@H]1C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000564993311 505566160 /nfs/dbraw/zinc/56/61/60/505566160.db2.gz SHQJHTKSGAMLOL-JFYQVNSESA-N 2 0 369.553 3.407 20 0 FGADRP CCO[C@@H]1C[C@H]([NH2+][C@H]2CCN(Cc3ccccc3)C3(CC3)C2)[C@@]12CCCO2 ZINC000567851681 505568240 /nfs/dbraw/zinc/56/82/40/505568240.db2.gz WUCDLWOPVDJRMS-QXUYBEEESA-N 2 0 370.537 3.500 20 0 FGADRP C[C@@H](C(=O)Nc1ccc(C(F)(F)F)cc1)[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000567889200 505570159 /nfs/dbraw/zinc/57/01/59/505570159.db2.gz BPAHAHFUSWHGJQ-ZFWWWQNUSA-N 2 0 369.431 3.354 20 0 FGADRP CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000567890724 505570274 /nfs/dbraw/zinc/57/02/74/505570274.db2.gz AUVDIRHZMFEHKG-JJRVBVJISA-N 2 0 370.324 3.011 20 0 FGADRP CCC(CC)[C@H](CNC(=O)N1CCC[C@@H]([NH+]2CCCC2)C1)[NH+]1CCCC1 ZINC000612339166 506534426 /nfs/dbraw/zinc/53/44/26/506534426.db2.gz TZDFEGYYUJMGQA-UXHICEINSA-N 2 0 364.578 3.157 20 0 FGADRP CCOC(=O)c1ccc(C[N@H+](CC)Cc2ccc(C[NH+](C)C)cc2)nc1 ZINC000599659205 506560347 /nfs/dbraw/zinc/56/03/47/506560347.db2.gz FOQSWJOMHGSWJZ-UHFFFAOYSA-N 2 0 355.482 3.342 20 0 FGADRP C[NH+](C)C1(CNC(=O)N2CC[C@H]([N@H+](C)Cc3ccccc3)C2)CCCCC1 ZINC000608617255 506633592 /nfs/dbraw/zinc/63/35/92/506633592.db2.gz UYUSLABVRXJHGP-FQEVSTJZSA-N 2 0 372.557 3.167 20 0 FGADRP Clc1cccc(-n2cc(C[N@H+]3CC[C@H]4C[NH2+]C[C@H]4CC3)nn2)c1Cl ZINC000583263496 506684745 /nfs/dbraw/zinc/68/47/45/506684745.db2.gz WAOWBFMVXVBMGA-BETUJISGSA-N 2 0 366.296 3.006 20 0 FGADRP CC(C)(C)[N@@H+]1CCCN(C(=O)NC[C@H]2CCC[NH+]2Cc2ccccc2)CC1 ZINC000604116116 506719992 /nfs/dbraw/zinc/71/99/92/506719992.db2.gz JCWUDLJKIVDPMY-HXUWFJFHSA-N 2 0 372.557 3.167 20 0 FGADRP Cc1cccc(CN(CC[NH+](C)C)C(=O)N[C@@H](C)C[N@@H+]2CCC[C@H](C)C2)c1 ZINC000604179041 506739549 /nfs/dbraw/zinc/73/95/49/506739549.db2.gz ANHODMGKKUNDSL-PMACEKPBSA-N 2 0 374.573 3.189 20 0 FGADRP C[C@@H](OC[C@@H](O)C[NH+]1CCC(C[NH+](C)C)CC1)c1ccc(Cl)cc1 ZINC000590125900 506743453 /nfs/dbraw/zinc/74/34/53/506743453.db2.gz RPQWSWBLPKWXRY-BEFAXECRSA-N 2 0 354.922 3.052 20 0 FGADRP CN(CC1CC[NH+](C)CC1)C(=O)N[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000604201566 506749358 /nfs/dbraw/zinc/74/93/58/506749358.db2.gz ABAGTGGFMIQNIB-NRFANRHFSA-N 2 0 372.557 3.197 20 0 FGADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@@H](C)c1ccc2c(c1)CCC(=O)N2 ZINC000583408798 506761425 /nfs/dbraw/zinc/76/14/25/506761425.db2.gz NOSQSJPVCKWDKP-AWEZNQCLSA-N 2 0 361.449 3.311 20 0 FGADRP CCC[NH+]1CCC(CNC(=O)N2CC[NH+](C3CCC(C)CC3)CC2)CC1 ZINC000604648336 506901409 /nfs/dbraw/zinc/90/14/09/506901409.db2.gz LCGVQANUPSEKBD-UHFFFAOYSA-N 2 0 364.578 3.014 20 0 FGADRP C[NH+](C)CC[C@H](NC(=O)NC[C@@H](C1CCCCC1)[NH+](C)C)C(C)(C)C ZINC000604784367 506941241 /nfs/dbraw/zinc/94/12/41/506941241.db2.gz ZYGKQMNHZXLBKF-ROUUACIJSA-N 2 0 354.583 3.163 20 0 FGADRP Cc1ccc([C@H](CNC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)[NH+](C)C)cc1 ZINC000604784712 506943072 /nfs/dbraw/zinc/94/30/72/506943072.db2.gz NIHMEIQHJWQCPZ-OALUTQOASA-N 2 0 362.562 3.263 20 0 FGADRP O=C(NCCCCC[NH+]1CCCCC1)[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000600473845 506961737 /nfs/dbraw/zinc/96/17/37/506961737.db2.gz SDJHSNGGIIWMCY-NRFANRHFSA-N 2 0 372.557 3.066 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc2c(cc(F)cc2C)[nH]1 ZINC000604863732 506966098 /nfs/dbraw/zinc/96/60/98/506966098.db2.gz DXNCDYSEEUACPI-QGZVFWFLSA-N 2 0 374.504 3.104 20 0 FGADRP Cc1ccc(NC(=O)CC[NH2+]C2CCN(Cc3ccc(F)cc3)CC2)nc1 ZINC000583851652 507008387 /nfs/dbraw/zinc/00/83/87/507008387.db2.gz GOZHMCWWQBKCFA-UHFFFAOYSA-N 2 0 370.472 3.112 20 0 FGADRP C[NH+](C)C1CC([NH2+]C2CCN(Cc3ccccc3Br)CC2)C1 ZINC000583882818 507028792 /nfs/dbraw/zinc/02/87/92/507028792.db2.gz TVOBMPRZKYCFNE-UHFFFAOYSA-N 2 0 366.347 3.096 20 0 FGADRP C[NH+](C)C1(CNC(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)CCCCCC1 ZINC000594276104 507055339 /nfs/dbraw/zinc/05/53/39/507055339.db2.gz LZQLUNKGZFCUTC-IBGZPJMESA-N 2 0 364.578 3.301 20 0 FGADRP C[NH+](C)[C@H](CNC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1)c1ccsc1 ZINC000594288795 507064677 /nfs/dbraw/zinc/06/46/77/507064677.db2.gz UWGKJDBKHFMRFS-QZTJIDSGSA-N 2 0 364.559 3.011 20 0 FGADRP CCOC(=O)C1([C@@H](C)[NH2+]C2(c3c(F)cccc3F)CCC2)CC[NH2+]CC1 ZINC000600714949 507079141 /nfs/dbraw/zinc/07/91/41/507079141.db2.gz VZVHBBLXNLVUBS-CQSZACIVSA-N 2 0 366.452 3.255 20 0 FGADRP CC(C)(C)[NH+]1CCC([NH2+]C[C@@H](O)Cc2ccccc2C(F)(F)F)CC1 ZINC000583989128 507089350 /nfs/dbraw/zinc/08/93/50/507089350.db2.gz FHKZVYJKIKOFFZ-INIZCTEOSA-N 2 0 358.448 3.461 20 0 FGADRP Cc1cccc(CN(C)CC(=O)N2CCN([C@@H](C)c3ccccc3)CC2)c1 ZINC000613505663 507122775 /nfs/dbraw/zinc/12/27/75/507122775.db2.gz KKAKJNNOMQGZMZ-FQEVSTJZSA-N 2 0 365.521 3.332 20 0 FGADRP CC[NH+](CC)CC(=O)NC[C@H]1CCCCN1Cc1cccc(Cl)c1 ZINC000597867217 507142840 /nfs/dbraw/zinc/14/28/40/507142840.db2.gz DXWYBIBBNHMGFM-GOSISDBHSA-N 2 0 351.922 3.153 20 0 FGADRP CC(C)[C@@H](C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1)[NH+]1CCCCC1 ZINC000591203114 507152441 /nfs/dbraw/zinc/15/24/41/507152441.db2.gz DKIFOOOIYJJRBI-YADHBBJMSA-N 2 0 371.569 3.178 20 0 FGADRP COC(=O)c1ccc2c(c1)[C@@H]([NH2+]CC1(SC)CC[NH+](C)CC1)CCC2 ZINC000594518395 507166784 /nfs/dbraw/zinc/16/67/84/507166784.db2.gz HNVDPCLENCFTGW-SFHVURJKSA-N 2 0 362.539 3.268 20 0 FGADRP CSC1(C[NH2+]Cc2cn(-c3ccccc3F)nc2C)CC[NH+](C)CC1 ZINC000594521358 507169685 /nfs/dbraw/zinc/16/96/85/507169685.db2.gz PUONIKIKNLYAFJ-UHFFFAOYSA-N 2 0 362.518 3.237 20 0 FGADRP CC(C)[N@H+](C)CC1CCN(C(=O)[C@@H](C)[NH+]2CCc3ccccc3C2)CC1 ZINC000600966708 507210975 /nfs/dbraw/zinc/21/09/75/507210975.db2.gz BFDCYSLTVOKMSP-GOSISDBHSA-N 2 0 357.542 3.012 20 0 FGADRP CC[C@H](C[NH+]1CCCC1)NC(=O)[C@@H](C)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000605518635 507228658 /nfs/dbraw/zinc/22/86/58/507228658.db2.gz QCGCQPNAVPWFCC-DENIHFKCSA-N 2 0 371.569 3.320 20 0 FGADRP C[C@@H](CNC(=O)NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1)[NH+](C)C1CC1 ZINC000591555147 507289383 /nfs/dbraw/zinc/28/93/83/507289383.db2.gz RXKOEZVGSRQKLQ-MSOLQXFVSA-N 2 0 372.557 3.200 20 0 FGADRP Cc1ccc([C@H](CNC(=O)N(C)[C@@H]2CC[N@@H+](C3CC3)C2)[NH+]2CCCC2)cc1 ZINC000601290285 507324505 /nfs/dbraw/zinc/32/45/05/507324505.db2.gz KASFSTFWBPGHOX-RTWAWAEBSA-N 2 0 370.541 3.010 20 0 FGADRP [NH3+]C[C@H](NC(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1)c1ccc2ccccc2c1 ZINC000584459720 507358480 /nfs/dbraw/zinc/35/84/80/507358480.db2.gz MOKYVLJGHFGANO-SFTDATJTSA-N 2 0 366.509 3.013 20 0 FGADRP CCc1noc(C2CCC([NH2+]CC3(SC)CC[NH+](C)CC3)CC2)n1 ZINC000584499294 507379351 /nfs/dbraw/zinc/37/93/51/507379351.db2.gz FEVZAIHNTOHFTN-UHFFFAOYSA-N 2 0 352.548 3.075 20 0 FGADRP [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000584519579 507391528 /nfs/dbraw/zinc/39/15/28/507391528.db2.gz FPLDCFGTPJYQHM-HKBOAZHASA-N 2 0 372.557 3.105 20 0 FGADRP CC1CC[NH+](CCCNC(=O)N(CC[NH+](C)C)CC2CCCCC2)CC1 ZINC000606626369 507457634 /nfs/dbraw/zinc/45/76/34/507457634.db2.gz KFVCDIYQCJYZJB-UHFFFAOYSA-N 2 0 366.594 3.262 20 0 FGADRP C[C@H](NC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000606660224 507472525 /nfs/dbraw/zinc/47/25/25/507472525.db2.gz YEPXZIVGPJFHGM-RXVVDRJESA-N 2 0 372.557 3.071 20 0 FGADRP C[C@H](NC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1)C1CC[NH+](C)CC1 ZINC000606700304 507487130 /nfs/dbraw/zinc/48/71/30/507487130.db2.gz HQDFVDPYILKTCM-OALUTQOASA-N 2 0 364.578 3.014 20 0 FGADRP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH+]2[C@@H](C)CCC[C@@H]2C)CC1 ZINC000595571742 507566966 /nfs/dbraw/zinc/56/69/66/507566966.db2.gz BWLOOTFQRRYBLT-PMACEKPBSA-N 2 0 357.542 3.292 20 0 FGADRP C[C@@H]1CN(Cc2ccccn2)CC[C@H]1[NH2+][C@@H]1CC[C@H](C(=O)OC(C)(C)C)C1 ZINC000592404785 507643101 /nfs/dbraw/zinc/64/31/01/507643101.db2.gz WNWJYNFLFGCTMT-AJYBTWMASA-N 2 0 373.541 3.392 20 0 FGADRP C[N@H+](CCNC(=O)[C@H]1CCCC[NH+]1Cc1ccccc1)Cc1ccccc1 ZINC000607284047 507678089 /nfs/dbraw/zinc/67/80/89/507678089.db2.gz UIDUMCLYRLJSOK-JOCHJYFZSA-N 2 0 365.521 3.289 20 0 FGADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)[C@H]1CCCC[NH+]1Cc1ccccc1 ZINC000607284613 507678912 /nfs/dbraw/zinc/67/89/12/507678912.db2.gz ILWHDROGGIVKID-SVFBPWRDSA-N 2 0 357.542 3.278 20 0 FGADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC000607384384 507715672 /nfs/dbraw/zinc/71/56/72/507715672.db2.gz CVIURDQDFLAEPA-LAUBAEHRSA-N 2 0 351.494 3.314 20 0 FGADRP COC(=O)[C@@H]1CCCC[C@]1(C)[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000611526029 507723073 /nfs/dbraw/zinc/72/30/73/507723073.db2.gz ILKQNTTVQLECBO-UNMCSNQZSA-N 2 0 374.525 3.373 20 0 FGADRP CC[N@H+](CCC1CC[NH+](CCC(=O)Nc2cc(C)on2)CC1)CC1CC1 ZINC000540047563 516419314 /nfs/dbraw/zinc/41/93/14/516419314.db2.gz PZVMAIICQDURHV-UHFFFAOYSA-N 2 0 362.518 3.146 20 0 FGADRP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)N[C@H]1CCC[NH2+]CC1 ZINC000669117920 568038226 /nfs/dbraw/zinc/03/82/26/568038226.db2.gz WWOYBJMHMNRKKA-PXNSSMCTSA-N 2 0 358.530 3.002 20 0 FGADRP CCc1ccccc1NC(=S)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000018919906 695638965 /nfs/dbraw/zinc/63/89/65/695638965.db2.gz JKKOILBPWFZJAF-UHFFFAOYSA-N 2 0 350.576 3.151 20 0 FGADRP CCOc1c(Br)cc(C[NH2+]C2CCC([NH3+])CC2)cc1OC ZINC000051693851 695914947 /nfs/dbraw/zinc/91/49/47/695914947.db2.gz XERJLPZVHHTCDW-UHFFFAOYSA-N 2 0 357.292 3.216 20 0 FGADRP COc1cc(Br)c(C[NH2+][C@H](C)C2CC[NH+](C)CC2)cc1OC ZINC000089549453 700392233 /nfs/dbraw/zinc/39/22/33/700392233.db2.gz UKFNPFIGDCFUJM-GFCCVEGCSA-N 2 0 371.319 3.286 20 0 FGADRP CCC[NH+]1CCC([NH2+]CCCc2nnc(SC)n2CC(C)C)CC1 ZINC000122881060 700697230 /nfs/dbraw/zinc/69/72/30/700697230.db2.gz RHQFVNDUDWDBTC-UHFFFAOYSA-N 2 0 353.580 3.053 20 0 FGADRP C[C@@H]([NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1)c1ccnc(Cl)c1 ZINC000124719519 700724054 /nfs/dbraw/zinc/72/40/54/700724054.db2.gz JWNSRYMBZIRVNJ-MRXNPFEDSA-N 2 0 350.938 3.336 20 0 FGADRP C[C@@H](CC(=O)Nc1cccnc1Cl)[NH2+][C@H](CC[NH+](C)C)C(C)(C)C ZINC000125858419 700740716 /nfs/dbraw/zinc/74/07/16/700740716.db2.gz JINKHVLOVXMBPU-DZGCQCFKSA-N 2 0 354.926 3.408 20 0 FGADRP CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]([NH2+]C2CC[NH+](CC3CC3)CC2)C1 ZINC000130230199 700798355 /nfs/dbraw/zinc/79/83/55/700798355.db2.gz BJYRCLDEHZURCX-MSOLQXFVSA-N 2 0 351.535 3.286 20 0 FGADRP COc1ccc(NC(=[NH2+])NC[C@@H]2CCC[N@H+](CC(C)C)C2)cc1Cl ZINC000157393634 705153160 /nfs/dbraw/zinc/15/31/60/705153160.db2.gz SLACLRMVAZRIET-AWEZNQCLSA-N 2 0 352.910 3.443 20 0 FGADRP CN(C[C@@H]1CCC[N@H+](CCC[NH+]2CCCCC2)C1)C(=O)OC(C)(C)C ZINC000161307935 705273261 /nfs/dbraw/zinc/27/32/61/705273261.db2.gz OQONPMBUWRZLNW-SFHVURJKSA-N 2 0 353.551 3.441 20 0 FGADRP C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCC[N@H+](CCC[NH+]2CCCCC2)C1 ZINC000161924773 705286116 /nfs/dbraw/zinc/28/61/16/705286116.db2.gz ASUILRBKHAHTAH-QZTJIDSGSA-N 2 0 353.551 3.488 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+]C2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000177221902 705613453 /nfs/dbraw/zinc/61/34/53/705613453.db2.gz PTWYDXQHYBJQPT-CALCHBBNSA-N 2 0 353.551 3.344 20 0 FGADRP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000182541359 705849075 /nfs/dbraw/zinc/84/90/75/705849075.db2.gz VKWQSULGWNEMGD-BQFCYCMXSA-N 2 0 351.535 3.238 20 0 FGADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H](C)c1cc(Br)ccc1O ZINC000185670589 712699662 /nfs/dbraw/zinc/69/96/62/712699662.db2.gz SLHGPDBAXQOJNO-TZMCWYRMSA-N 2 0 359.308 3.162 20 0 FGADRP C[C@@H]1CSC[C@@H]1[NH2+]Cc1cccc(OCC[N@H+](C)C2CCOCC2)c1 ZINC000294719233 713775378 /nfs/dbraw/zinc/77/53/78/713775378.db2.gz BRNPTRCDXHOOSF-UZLBHIALSA-N 2 0 364.555 3.017 20 0 FGADRP C[C@@H]([NH2+]CCC[NH+]1CCCCC1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000310475000 713798987 /nfs/dbraw/zinc/79/89/87/713798987.db2.gz CRXNNGHEXQBUJL-QZTJIDSGSA-N 2 0 353.551 3.488 20 0 FGADRP C[NH+](C)CCCC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000310513010 713799357 /nfs/dbraw/zinc/79/93/57/713799357.db2.gz QMMGXHWXXXPECS-KZNAEPCWSA-N 2 0 353.551 3.486 20 0 FGADRP C[C@@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)c1ccc(F)cc1Br ZINC000318467701 713808675 /nfs/dbraw/zinc/80/86/75/713808675.db2.gz HHHVGBPUQNXXOK-CYBMUJFWSA-N 2 0 372.326 3.265 20 0 FGADRP CN1CC[NH+](CC2(C)CC[NH+](CCC(Cl)(Cl)Cl)CC2)CC1 ZINC000375093395 713966594 /nfs/dbraw/zinc/96/65/94/713966594.db2.gz CZMOSHNQHFOCLR-UHFFFAOYSA-N 2 0 356.769 3.096 20 0 FGADRP C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000414927968 714005947 /nfs/dbraw/zinc/00/59/47/714005947.db2.gz PQPOXGWTENHRRY-UXIGCNINSA-N 2 0 354.292 3.026 20 0 FGADRP C[C@H]([NH2+][C@@H]1CCC[C@H]([NH3+])C1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000423363786 714013952 /nfs/dbraw/zinc/01/39/52/714013952.db2.gz AKVWDXOGNQOBIP-BHYGNILZSA-N 2 0 350.528 3.323 20 0 FGADRP C[NH+]1CCN(Cc2ccc(C[NH2+]Cc3scnc3C3CC3)cc2)CC1 ZINC000486971890 714098228 /nfs/dbraw/zinc/09/82/28/714098228.db2.gz RARPYMOZCREHPC-UHFFFAOYSA-N 2 0 356.539 3.058 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N1CCC[NH+](C(C)(C)C)CC1 ZINC000521895116 714154706 /nfs/dbraw/zinc/15/47/06/714154706.db2.gz CHKQDVGNSZWGJY-GOSISDBHSA-N 2 0 352.567 3.157 20 0 FGADRP CC(C)[N@H+](C)CCNC(=O)NC[C@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000522411798 714187183 /nfs/dbraw/zinc/18/71/83/714187183.db2.gz IWCOJRWEWFKMQX-QGZVFWFLSA-N 2 0 366.575 3.161 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)C1 ZINC000522604694 714195067 /nfs/dbraw/zinc/19/50/67/714195067.db2.gz UHWJKZPSLGRZTO-KSZLIROESA-N 2 0 354.583 3.020 20 0 FGADRP CC(C)[NH+]1CCN([C@H]2CC[N@H+](CCCOc3ccc(Cl)cc3)C2)CC1 ZINC000525172584 714325715 /nfs/dbraw/zinc/32/57/15/714325715.db2.gz DXXTYEKPSUCEHI-IBGZPJMESA-N 2 0 365.949 3.209 20 0 FGADRP COc1ccc([C@H](C)[NH2+]CC2(SC)CC[NH+](C)CC2)cc1NC(C)=O ZINC000579695774 714495877 /nfs/dbraw/zinc/49/58/77/714495877.db2.gz FANBBMMVLIKGDX-AWEZNQCLSA-N 2 0 365.543 3.132 20 0 FGADRP CC[NH+](CC)CCNC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000642615638 717983602 /nfs/dbraw/zinc/98/36/02/717983602.db2.gz CQCPKBHVIPSUKR-SFHVURJKSA-N 2 0 366.937 3.118 20 0 FGADRP C[C@H]([NH2+]C[C@@H]1CCCN1CC(F)F)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000624096059 715471645 /nfs/dbraw/zinc/47/16/45/715471645.db2.gz SFRJGQNJUVCCFG-UHOSZYNNSA-N 2 0 351.485 3.216 20 0 FGADRP CN(CC[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)CC(F)F ZINC000624326735 715512587 /nfs/dbraw/zinc/51/25/87/715512587.db2.gz SSHLHTLAEQXLSN-GBESFXJTSA-N 2 0 351.485 3.074 20 0 FGADRP C[NH+](C)[C@@H](CNC(=O)NC[C@H]1CC[N@@H+]1C1CCCCC1)c1cccs1 ZINC000624548437 715553724 /nfs/dbraw/zinc/55/37/24/715553724.db2.gz OSQSEEDQWVVBFR-SJORKVTESA-N 2 0 364.559 3.057 20 0 FGADRP C[NH+](C)C[C@H](NC(=O)N[C@H]1CCC[NH2+]CC1)c1ccc(Cl)c(Cl)c1 ZINC000627086159 715994606 /nfs/dbraw/zinc/99/46/06/715994606.db2.gz JKSMQLWKQLXYNO-BBRMVZONSA-N 2 0 373.328 3.037 20 0 FGADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000627156650 716002607 /nfs/dbraw/zinc/00/26/07/716002607.db2.gz FGXFAFUGIGPWOK-ARFHVFGLSA-N 2 0 373.328 3.036 20 0 FGADRP [NH3+]C1(C[NH2+][C@H]2CCCCc3ccc(Br)cc32)CCOCC1 ZINC000629521455 716303030 /nfs/dbraw/zinc/30/30/30/716303030.db2.gz QQTCHVSKZFKITM-INIZCTEOSA-N 2 0 353.304 3.314 20 0 FGADRP C[N@H+](CCOCC[NH3+])Cc1cn(C(C)(C)C)nc1-c1ccccc1Cl ZINC000629667144 716332797 /nfs/dbraw/zinc/33/27/97/716332797.db2.gz UZECLXCKUSTOJP-UHFFFAOYSA-N 2 0 364.921 3.366 20 0 FGADRP CC(C)Sc1cc(Br)ccc1C[N@H+](C)CCOCC[NH3+] ZINC000629663153 716332829 /nfs/dbraw/zinc/33/28/29/716332829.db2.gz HIEZRLSHDXYWBK-UHFFFAOYSA-N 2 0 361.349 3.357 20 0 FGADRP FC(F)(F)Cc1ccc(C[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)cc1 ZINC000631075259 716560100 /nfs/dbraw/zinc/56/01/00/716560100.db2.gz OUFXVDTYKFFJNK-KRWDZBQOSA-N 2 0 356.432 3.382 20 0 FGADRP C[N@@H+]1CCC[C@H](CNC(=O)C23CCC[NH+](CCC2)C3)[C@@H]1c1cccs1 ZINC000635602422 717180944 /nfs/dbraw/zinc/18/09/44/717180944.db2.gz GYCQDNXTNWTTDN-SJLPKXTDSA-N 2 0 361.555 3.123 20 0 FGADRP C[NH+]1CCC2(CC[N@H+](C[C@H](O)Cc3ccccc3C(F)(F)F)C2)CC1 ZINC000639758800 717598770 /nfs/dbraw/zinc/59/87/70/717598770.db2.gz WIJFVBUGDNTMJH-MRXNPFEDSA-N 2 0 356.432 3.027 20 0 FGADRP O[C@H](C[NH2+]C1CC[NH+](CC2CC2)CC1)COc1ccc(Cl)c(Cl)c1 ZINC000644525616 718119448 /nfs/dbraw/zinc/11/94/48/718119448.db2.gz KGDJWCRPBGHPNV-OAHLLOKOSA-N 2 0 373.324 3.197 20 0 FGADRP CCCN(C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1)[C@H]1CC[N@H+](C)C1 ZINC000645118272 718184101 /nfs/dbraw/zinc/18/41/01/718184101.db2.gz NZKIAFUPVYDDGG-IRXDYDNUSA-N 2 0 364.559 3.011 20 0 FGADRP C[C@H]([NH2+][C@@H](CCO)c1cccc(OC(F)(F)F)c1)C1CC[NH+](C)CC1 ZINC000647330125 718349853 /nfs/dbraw/zinc/34/98/53/718349853.db2.gz CVTXXINSVINTDL-GUYCJALGSA-N 2 0 360.420 3.329 20 0 FGADRP C[C@H](Cc1cc(Br)ccc1F)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000647794171 718377971 /nfs/dbraw/zinc/37/79/71/718377971.db2.gz SLOMZAUXWJDOCZ-TWJWRFFLSA-N 2 0 355.295 3.497 20 0 FGADRP Brc1cccc2c1OCC[C@@H]2[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000647796731 718378124 /nfs/dbraw/zinc/37/81/24/718378124.db2.gz LMDKYBIQEXZDKR-JFILPPLUSA-N 2 0 351.288 3.250 20 0 FGADRP CN(Cc1ccc(Cl)s1)C(=O)C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647976293 718391184 /nfs/dbraw/zinc/39/11/84/718391184.db2.gz MOTVEDLHFCAIAU-LSDHHAIUSA-N 2 0 369.962 3.072 20 0 FGADRP C[C@H](NC(=O)C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1)c1ccc(Cl)cc1 ZINC000647976829 718391462 /nfs/dbraw/zinc/39/14/62/718391462.db2.gz URYGHSUBBTVDCM-RYQLBKOJSA-N 2 0 363.933 3.229 20 0 FGADRP COc1ccc(Br)cc1C1([NH2+]CC[C@H]2CCC[NH2+]C2)CC1 ZINC000647995453 718393182 /nfs/dbraw/zinc/39/31/82/718393182.db2.gz ZZBFARWYLONXTQ-CYBMUJFWSA-N 2 0 353.304 3.426 20 0 FGADRP C[NH+](C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)CCC(C)(C)[NH3+] ZINC000648137419 718400977 /nfs/dbraw/zinc/40/09/77/718400977.db2.gz HBFPCSPTYPPKCU-UHFFFAOYSA-N 2 0 359.436 3.113 20 0 FGADRP C[C@H](C[N@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1)c1cc(F)cc(F)c1 ZINC000648586023 718438132 /nfs/dbraw/zinc/43/81/32/718438132.db2.gz SLWPHRLVAGZVCE-QRWLVFNGSA-N 2 0 351.485 3.169 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1cc2cc(Cl)cnc2o1 ZINC000648585394 718438262 /nfs/dbraw/zinc/43/82/62/718438262.db2.gz VEJKMCVVYQPSSB-QGZVFWFLSA-N 2 0 364.921 3.329 20 0 FGADRP O=C(Nc1ccc(Cl)cn1)[C@H]1CCC[N@H+](CCCC2CC[NH2+]CC2)C1 ZINC000649411788 718512570 /nfs/dbraw/zinc/51/25/70/718512570.db2.gz CFDOABCCLIOUNF-INIZCTEOSA-N 2 0 364.921 3.165 20 0 FGADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@H+](Cc3ccc(F)cc3Br)C2)C1 ZINC000650707860 718717720 /nfs/dbraw/zinc/71/77/20/718717720.db2.gz OKPQTFAZLZKNJV-LXZKKBNFSA-N 2 0 371.294 3.307 20 0 FGADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2Cc2ccc(F)cc2Br)C1 ZINC000650724059 718721061 /nfs/dbraw/zinc/72/10/61/718721061.db2.gz XRODLVOULKHDRA-PVAVHDDUSA-N 2 0 371.294 3.449 20 0 FGADRP C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]CCC1CC[NH2+]CC1 ZINC000650764489 718725002 /nfs/dbraw/zinc/72/50/02/718725002.db2.gz ZWOHQBGTXHCBJE-ZDUSSCGKSA-N 2 0 368.319 3.146 20 0 FGADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](CC)c2cc(OC)c(OC)c(OC)c2)C1 ZINC000652143238 718916964 /nfs/dbraw/zinc/91/69/64/718916964.db2.gz SRSMCZBIZFEJKX-WBVHZDCISA-N 2 0 350.503 3.485 20 0 FGADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@@H+]2CCC(=O)Nc2ccc(Cl)cc2)C1 ZINC000652361797 718936780 /nfs/dbraw/zinc/93/67/80/718936780.db2.gz PMFPAYFZVDJQEY-KBAYOESNSA-N 2 0 365.905 3.029 20 0 FGADRP c1csc([C@@H](CNC2CC[NH+](C[C@@H]3CCCO3)CC2)[NH+]2CCCC2)c1 ZINC000655680759 719324941 /nfs/dbraw/zinc/32/49/41/719324941.db2.gz RNGLQTLQXVJJEO-RBUKOAKNSA-N 2 0 363.571 3.118 20 0 FGADRP C[C@@H](C[NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2C)CC1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000655803146 719342219 /nfs/dbraw/zinc/34/22/19/719342219.db2.gz WKGDIFIUIVZSAA-IYWGDAJJSA-N 2 0 351.579 3.117 20 0 FGADRP CCOc1c(Br)cc(C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)cc1OC ZINC000655826369 719344758 /nfs/dbraw/zinc/34/47/58/719344758.db2.gz UPGXXLKAQYMTMN-XBXGTLAGSA-N 2 0 371.319 3.286 20 0 FGADRP c1csc([C@H](C[NH2+]Cc2ccnn2-c2cc[nH+]cc2)N2CCCC2)c1 ZINC000657286051 719618020 /nfs/dbraw/zinc/61/80/20/719618020.db2.gz MKEBUFMHVMLYLS-SFHVURJKSA-N 2 0 353.495 3.256 20 0 FGADRP C[C@@H]1C[NH+](CCCC[NH2+]Cc2cccc(OC3CC3)c2F)C[C@@H](C)O1 ZINC000657368515 719634469 /nfs/dbraw/zinc/63/44/69/719634469.db2.gz XZPZEVLNFCLCPI-HZPDHXFCSA-N 2 0 350.478 3.346 20 0 FGADRP c1coc(-c2ncc(C[NH2+]CC3CC[NH+](C4CCOCC4)CC3)s2)c1 ZINC000657537851 719668095 /nfs/dbraw/zinc/66/80/95/719668095.db2.gz UWYSLVZMMKSTMJ-UHFFFAOYSA-N 2 0 361.511 3.384 20 0 FGADRP Brc1cc(C[NH2+]CC2CC[NH+](C3CCOCC3)CC2)cs1 ZINC000657535896 719668191 /nfs/dbraw/zinc/66/81/91/719668191.db2.gz SSZISTZZPDQOCW-UHFFFAOYSA-N 2 0 373.360 3.491 20 0 FGADRP COc1ccc(C[NH2+]Cc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)cc1Cl ZINC000657594895 719680951 /nfs/dbraw/zinc/68/09/51/719680951.db2.gz KSFKJMUPDXGAKL-GOSISDBHSA-N 2 0 360.885 3.205 20 0 FGADRP CC(C)(C)c1ncc(C[NH2+]Cc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)s1 ZINC000657595697 719680963 /nfs/dbraw/zinc/68/09/63/719680963.db2.gz RTDQBQATZQRSBA-QGZVFWFLSA-N 2 0 359.539 3.297 20 0 FGADRP CC(C)[C@@H](Cc1ccc(Br)cc1)[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000657843410 719720022 /nfs/dbraw/zinc/72/00/22/719720022.db2.gz CHWKAKMYMUIZLK-ZWKOTPCHSA-N 2 0 369.347 3.063 20 0 FGADRP COc1ccc2c(c1)[C@@H]([NH2+][C@@H](C)CN(C)CCC[NH+](C)C)CCS2 ZINC000658108043 719757674 /nfs/dbraw/zinc/75/76/74/719757674.db2.gz OWRJKOHSEJUAHX-YJBOKZPZSA-N 2 0 351.560 3.094 20 0 FGADRP O=C(C[C@H]1[NH2+]Cc2ccccc21)N1CC[NH2+]C[C@@H]1c1cccc(Cl)c1 ZINC000659312295 719895167 /nfs/dbraw/zinc/89/51/67/719895167.db2.gz WGNUYQOQVNUEFT-RTBURBONSA-N 2 0 355.869 3.048 20 0 FGADRP CC[NH+](CC)CCCC1CCN(C(=S)NC[C@@H]2CCC[N@@H+]2CC)CC1 ZINC000782209568 724638651 /nfs/dbraw/zinc/63/86/51/724638651.db2.gz HEZOYGOFZXSBEY-IBGZPJMESA-N 2 0 368.635 3.179 20 0 FGADRP COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1cc(OC(C)C)cc[nH+]1)C2 ZINC001164809129 720126702 /nfs/dbraw/zinc/12/67/02/720126702.db2.gz HGRKNLUSZQBWLG-RXVVDRJESA-N 2 0 359.514 3.054 20 0 FGADRP CC(C)[N@@H+](Cc1ccc(Br)cc1)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662251037 720405255 /nfs/dbraw/zinc/40/52/55/720405255.db2.gz WMWRUGRIOHXKAX-MRXNPFEDSA-N 2 0 353.304 3.181 20 0 FGADRP C[NH+](CC1=CCSC1)Cc1cncc(C[N@H+](C)CC2=CCSC2)c1 ZINC000662267901 720406704 /nfs/dbraw/zinc/40/67/04/720406704.db2.gz YYMMMWYNZDIQQP-UHFFFAOYSA-N 2 0 361.580 3.292 20 0 FGADRP COc1cccc(SCC[N@@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)c1 ZINC000662285248 720409935 /nfs/dbraw/zinc/40/99/35/720409935.db2.gz IBRXUXQAGAPKJI-FRQCXROJSA-N 2 0 350.528 3.006 20 0 FGADRP C[C@H](C(=O)NCc1ccc(Cl)cc1)[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662290756 720410303 /nfs/dbraw/zinc/41/03/03/720410303.db2.gz JQCQBYJZRPHSLG-CRAIPNDOSA-N 2 0 363.933 3.056 20 0 FGADRP C[C@@H](C(=O)NCc1ccc(Cl)cc1)[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662290759 720410667 /nfs/dbraw/zinc/41/06/67/720410667.db2.gz JQCQBYJZRPHSLG-YJBOKZPZSA-N 2 0 363.933 3.056 20 0 FGADRP CC[NH+](CC)CCN(Cc1ccc(Cl)cc1)C(=O)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000662654188 720450041 /nfs/dbraw/zinc/45/00/41/720450041.db2.gz CAHCNDZLWVVRAQ-ICSRJNTNSA-N 2 0 363.933 3.010 20 0 FGADRP C[NH2+]CCCC(=O)N1CCC([NH2+][C@H](C)CCc2ccc(Cl)s2)CC1 ZINC000663506544 720520668 /nfs/dbraw/zinc/52/06/68/720520668.db2.gz UMGHLICIASEEDD-CQSZACIVSA-N 2 0 371.978 3.303 20 0 FGADRP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000665130233 720732871 /nfs/dbraw/zinc/73/28/71/720732871.db2.gz SWYPXKYAKDRBDC-ZDUSSCGKSA-N 2 0 360.424 3.099 20 0 FGADRP Brc1ccc(C[NH2+][C@@H]2CCC[NH2+]CC2)cc1Br ZINC000666856453 720991726 /nfs/dbraw/zinc/99/17/26/720991726.db2.gz IUQGXRZWPAHNIS-LLVKDONJSA-N 2 0 362.109 3.443 20 0 FGADRP Brc1ccc(-c2c[nH]c(C[NH2+][C@H]3CC34CC[NH2+]CC4)n2)cc1 ZINC000666954289 721005077 /nfs/dbraw/zinc/00/50/77/721005077.db2.gz UBPDSCKXHQXLPG-HNNXBMFYSA-N 2 0 361.287 3.071 20 0 FGADRP CSc1ccc(Cl)c(NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1 ZINC000667465845 721109317 /nfs/dbraw/zinc/10/93/17/721109317.db2.gz GBAIKYBHZKQSGZ-UHFFFAOYSA-N 2 0 358.939 3.019 20 0 FGADRP C[NH2+]C(C)(C)CNC(=O)Nc1nc2ccc(C[N@H+](C)C3CC3)cc2s1 ZINC000667609895 721139163 /nfs/dbraw/zinc/13/91/63/721139163.db2.gz SLSBZUNRCUANSQ-UHFFFAOYSA-N 2 0 361.515 3.010 20 0 FGADRP CCC[N@H+](C)[C@@H](CNC(=O)N[C@H]1CCC[NH2+]CC1)c1ccc(Cl)cc1 ZINC000669583624 721469000 /nfs/dbraw/zinc/46/90/00/721469000.db2.gz LKESMJXGPIHAHE-ROUUACIJSA-N 2 0 366.937 3.164 20 0 FGADRP C[C@H]([NH2+]CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)c1ccsc1 ZINC000669937825 721503959 /nfs/dbraw/zinc/50/39/59/721503959.db2.gz UZLYVQZKNLEWMF-INIZCTEOSA-N 2 0 357.523 3.311 20 0 FGADRP C[NH+](C)C[C@H](NC(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1)c1ccc(Cl)cc1 ZINC000670133759 721519090 /nfs/dbraw/zinc/51/90/90/721519090.db2.gz IURRZIGPFKMMQL-BZSNNMDCSA-N 2 0 366.937 3.115 20 0 FGADRP CC[C@H](C[NH+]1CCCC1)NC(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000670136240 721519351 /nfs/dbraw/zinc/51/93/51/721519351.db2.gz SHTMOXTVEJRQJJ-QZTJIDSGSA-N 2 0 366.937 3.116 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1CCC(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000670415632 721537003 /nfs/dbraw/zinc/53/70/03/721537003.db2.gz GNKJIQQDELZMEU-QGZVFWFLSA-N 2 0 363.571 3.341 20 0 FGADRP C[C@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)c1sccc1Br ZINC000675876420 721777201 /nfs/dbraw/zinc/77/72/01/721777201.db2.gz WRDXJSAQYHBQAR-STQMWFEESA-N 2 0 372.376 3.330 20 0 FGADRP Cc1cc(Cl)c2c(c1)[C@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)CCCO2 ZINC000676076610 721785038 /nfs/dbraw/zinc/78/50/38/721785038.db2.gz UXOPWHNMQNUWBW-GOSISDBHSA-N 2 0 365.949 3.478 20 0 FGADRP COc1cccc(OC)c1C[NH+]1CCC(N(C)c2cc(N)c(C)c[nH+]2)CC1 ZINC001165020249 721843059 /nfs/dbraw/zinc/84/30/59/721843059.db2.gz BABMLVFRFSSZDU-UHFFFAOYSA-N 2 0 370.497 3.090 20 0 FGADRP c1csc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3c2cc(-n3ccnc3)cc[nH+]2)c1 ZINC001164938204 721914191 /nfs/dbraw/zinc/91/41/91/721914191.db2.gz YOPIGFAXZWKIOE-CALCHBBNSA-N 2 0 351.479 3.182 20 0 FGADRP C[C@H]([NH2+]C[C@@H](CO)Cc1ccccc1C(F)(F)F)C1CC[NH+](C)CC1 ZINC000678600000 721966729 /nfs/dbraw/zinc/96/67/29/721966729.db2.gz HPWJFWBVAXDTLS-GJZGRUSLSA-N 2 0 358.448 3.176 20 0 FGADRP C[NH+]1CCN(C(C)(C)C[NH2+][C@H]2CCCOc3cc(Cl)ccc32)CC1 ZINC000678766597 721977296 /nfs/dbraw/zinc/97/72/96/721977296.db2.gz NRSQNZGTBRHUFY-KRWDZBQOSA-N 2 0 351.922 3.169 20 0 FGADRP C[N@H+](Cc1ccc(C(F)(F)F)s1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000685457131 722385871 /nfs/dbraw/zinc/38/58/71/722385871.db2.gz FCZPPTUMCREQQM-AWEZNQCLSA-N 2 0 361.477 3.367 20 0 FGADRP C[C@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000700789137 722409800 /nfs/dbraw/zinc/40/98/00/722409800.db2.gz SZKMREOUBPMTTN-RCCFBDPRSA-N 2 0 353.551 3.486 20 0 FGADRP CC(C)(C)OC(=O)N1CCC(CC[NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000702610350 722410641 /nfs/dbraw/zinc/41/06/41/722410641.db2.gz HUUHYUDNAIENJM-QZTJIDSGSA-N 2 0 351.535 3.240 20 0 FGADRP CC[NH+](CC)Cc1cc([C@@H](C)[NH2+]C2COC(C)(C)OC2)ccc1OC ZINC000757706721 722978736 /nfs/dbraw/zinc/97/87/36/722978736.db2.gz YMOFTAMBXUVLRU-OAHLLOKOSA-N 2 0 350.503 3.339 20 0 FGADRP C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCC[N@H+](CC[C@@H]2CCCC[NH+]2C)C1 ZINC000760905348 723103430 /nfs/dbraw/zinc/10/34/30/723103430.db2.gz AYSVEZYYVUFZTK-BZSNNMDCSA-N 2 0 353.551 3.486 20 0 FGADRP CCOC(=O)C(F)(F)[C@H]1CCC[C@H]([NH2+]C2CC([NH+]3CCCCC3)C2)C1 ZINC000793338972 723426206 /nfs/dbraw/zinc/42/62/06/723426206.db2.gz ZNXFNERMPYHRMX-JUVOFCAFSA-N 2 0 358.473 3.350 20 0 FGADRP C[C@@H]([NH2+]CCC1=CCN(C(=O)OC(C)(C)C)CC1)C1CC[NH+](C)CC1 ZINC000794835421 723548530 /nfs/dbraw/zinc/54/85/30/723548530.db2.gz JUTACEQSJHPOHT-MRXNPFEDSA-N 2 0 351.535 3.264 20 0 FGADRP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCCCN2C(=O)OC(C)(C)C)[C@H]2CCC[C@H]21 ZINC000796707474 723651274 /nfs/dbraw/zinc/65/12/74/723651274.db2.gz OBEIZURVAFQGOC-XWTMOSNGSA-N 2 0 351.535 3.238 20 0 FGADRP C[C@@H]1[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)CCCN1C(=O)OC(C)(C)C ZINC000796952959 723660952 /nfs/dbraw/zinc/66/09/52/723660952.db2.gz JUGRTGXNQMOOBR-ILOCAZANSA-N 2 0 351.535 3.237 20 0 FGADRP C[C@H]([NH2+]C1CC(NC(=O)OC(C)(C)C)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000798187886 723912001 /nfs/dbraw/zinc/91/20/01/723912001.db2.gz VFDJZKMTQRRMMW-NJINODPHSA-N 2 0 351.535 3.285 20 0 FGADRP CC[S@](=O)CC[NH2+][C@@H](C)c1ccc(OC)c(C[NH+]2CCCCC2)c1 ZINC000775389858 723987772 /nfs/dbraw/zinc/98/77/72/723987772.db2.gz ZIFCYGDRPLZOKV-FYSMJZIKSA-N 2 0 352.544 3.100 20 0 FGADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CC[C@]2(C1)CCCN(C(=O)OC(C)(C)C)C2 ZINC000802009056 724353183 /nfs/dbraw/zinc/35/31/83/724353183.db2.gz LNKHOPJPEHDSJH-PXNSSMCTSA-N 2 0 351.535 3.194 20 0 FGADRP C[C@H](C[NH+]1CCC(CCC[NH+]2CCCC2)CC1)NC(=O)OC(C)(C)C ZINC000785479223 724915437 /nfs/dbraw/zinc/91/54/37/724915437.db2.gz FMNHOLMFJBMGDZ-QGZVFWFLSA-N 2 0 353.551 3.488 20 0 FGADRP CC(C)(C[NH2+]C1CC2(C1)CN(C(=O)OC(C)(C)C)C2)C[NH+]1CCCC1 ZINC000788786764 725088006 /nfs/dbraw/zinc/08/80/06/725088006.db2.gz YJOOHAAVJITWJC-UHFFFAOYSA-N 2 0 351.535 3.098 20 0 FGADRP CC(C)C[C@@H](C[NH2+]C1CC[NH+](CC2CC2)CC1)NC(=O)OC(C)(C)C ZINC000811474531 725368068 /nfs/dbraw/zinc/36/80/68/725368068.db2.gz KSWLQIUPVTVAGB-SFHVURJKSA-N 2 0 353.551 3.390 20 0 FGADRP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@@H]2[NH2+][C@@H]1CC[C@H]2SCCS[C@H]12 ZINC000817917147 727287865 /nfs/dbraw/zinc/28/78/65/727287865.db2.gz NYUISXMJOICKPD-CSFFLVESSA-N 2 0 362.564 3.212 20 0 FGADRP CC[C@@H]([NH2+][C@@H]1CC[NH2+]C2(CCC2)C1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000817984963 727290780 /nfs/dbraw/zinc/29/07/80/727290780.db2.gz CZGWREFSBOZEET-BRWVUGGUSA-N 2 0 351.535 3.429 20 0 FGADRP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]C[C@@H](O)COc2ccc(Cl)c(Cl)c2)C1 ZINC000819133366 727350671 /nfs/dbraw/zinc/35/06/71/727350671.db2.gz OWTYGIPPRQHRKG-BFHYXJOUSA-N 2 0 361.313 3.196 20 0 FGADRP CC(C)[C@@H](CNC(=O)OC(C)(C)C)C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000823671723 729297706 /nfs/dbraw/zinc/29/77/06/729297706.db2.gz UIPDRLBRPKFCAO-QGZVFWFLSA-N 2 0 353.551 3.247 20 0 FGADRP CC(C)(C)OC(=O)N1C[C@H]2C[C@@]2(C[NH2+]CCCCC[NH+]2CCCC2)C1 ZINC000824439536 729338553 /nfs/dbraw/zinc/33/85/53/729338553.db2.gz NGPSXSUATPFYLN-YLJYHZDGSA-N 2 0 351.535 3.099 20 0 FGADRP O[C@H](C[NH2+]C1CC[NH+](C2CCCC2)CC1)c1ccccc1Br ZINC000825343952 729379688 /nfs/dbraw/zinc/37/96/88/729379688.db2.gz SDELKBKGDURSKF-GOSISDBHSA-N 2 0 367.331 3.479 20 0 FGADRP CC1CC[NH+]([C@H](CNC(=O)c2cccc(C[NH3+])c2)c2cccs2)CC1 ZINC000825769603 729394818 /nfs/dbraw/zinc/39/48/18/729394818.db2.gz BMWSAUOVFHUVJD-GOSISDBHSA-N 2 0 357.523 3.410 20 0 FGADRP C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000834893078 729844378 /nfs/dbraw/zinc/84/43/78/729844378.db2.gz NSNDMAIEOHKTNC-QCLGFWRNSA-N 2 0 351.535 3.237 20 0 FGADRP C[N@H+](CCCC[NH2+]Cc1nc2ccccn2c1Br)C1CC1 ZINC000835063585 729854605 /nfs/dbraw/zinc/85/46/05/729854605.db2.gz MPSZVVINPNOINA-UHFFFAOYSA-N 2 0 351.292 3.061 20 0 FGADRP Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C[NH2+][C@H]1CC[C@@H](C[NH3+])C1 ZINC000841084188 730208905 /nfs/dbraw/zinc/20/89/05/730208905.db2.gz ILNUCHRRNOWCHG-ZBFHGGJFSA-N 2 0 350.869 3.249 20 0 FGADRP CC[N@H+](CCC1CC[NH+](C[C@@H]2CN(C3CC3)C(=O)O2)CC1)CC(C)C ZINC000844315008 730701981 /nfs/dbraw/zinc/70/19/81/730701981.db2.gz FTLHKPFLJORTPO-LJQANCHMSA-N 2 0 351.535 3.050 20 0 FGADRP C[N@@H+]1CCC[C@H]1CC[NH+]1C[C@@H]2CCC[C@]2(CNC(=O)OC(C)(C)C)C1 ZINC000844358521 730707268 /nfs/dbraw/zinc/70/72/68/730707268.db2.gz XNQNKBKPUBXQTM-ZWOKBUDYSA-N 2 0 351.535 3.098 20 0 FGADRP CC(C)(C[NH2+]C1CC(CCNC(=O)OC(C)(C)C)C1)C[NH+]1CCCC1 ZINC000845963143 730912950 /nfs/dbraw/zinc/91/29/50/730912950.db2.gz LLZTYRISNUXIJI-UHFFFAOYSA-N 2 0 353.551 3.391 20 0 FGADRP C[C@H](CNC(=[NH2+])NCc1cccc(C(F)(F)F)c1)C[NH+]1CCCCC1 ZINC000849091331 731228065 /nfs/dbraw/zinc/22/80/65/731228065.db2.gz VRRCPCDMVFBPBL-CQSZACIVSA-N 2 0 356.436 3.441 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC1CC(F)(c2cccc(Cl)c2)C1 ZINC000849095535 731228780 /nfs/dbraw/zinc/22/87/80/731228780.db2.gz BITSRMWYTKCOSG-PQUAAJSLSA-N 2 0 352.885 3.265 20 0 FGADRP C[C@H](NC(=[NH2+])NC[C@@H]1CCC[N@@H+]1CCCO)c1ccc(Cl)cc1Cl ZINC000849112950 731230675 /nfs/dbraw/zinc/23/06/75/731230675.db2.gz GFVIXMXNALNWEA-JSGCOSHPSA-N 2 0 373.328 3.015 20 0 FGADRP O[C@H]1CC[N@H+](Cc2ccc(C[NH2+][C@@H]3CCc4nc(Cl)ccc43)cc2)C1 ZINC000850508762 731366401 /nfs/dbraw/zinc/36/64/01/731366401.db2.gz OATWJNNVTOKXMM-FUHWJXTLSA-N 2 0 357.885 3.079 20 0 FGADRP c1cc(C[NH+]2CCC(C[NH2+][C@@H]3CC[C@@H]4SCCS[C@H]34)CC2)ccn1 ZINC000850516653 731367427 /nfs/dbraw/zinc/36/74/27/731367427.db2.gz IHXJMHZRGGTOBB-CEXWTWQISA-N 2 0 363.596 3.263 20 0 FGADRP C[C@H]([NH2+]C[C@]12OCCC[C@H]1C2(F)F)c1ccc(OCC[NH+](C)C)cc1 ZINC000850535517 731370342 /nfs/dbraw/zinc/37/03/42/731370342.db2.gz YYEYDBPQQOAQID-QGTPRVQTSA-N 2 0 354.441 3.092 20 0 FGADRP O=C(C=C1CC[NH2+]CC1)NC[C@H](c1c(F)cccc1Cl)N1CCCC1 ZINC000852858919 731641414 /nfs/dbraw/zinc/64/14/14/731641414.db2.gz KZQRFHJWGKKWLK-QGZVFWFLSA-N 2 0 365.880 3.042 20 0 FGADRP C[C@H](C[C@@H](C)[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1)NC(=O)OC(C)(C)C ZINC000853241932 731686529 /nfs/dbraw/zinc/68/65/29/731686529.db2.gz YVUSKFQFSIPZLU-JFIYKMOQSA-N 2 0 353.551 3.390 20 0 FGADRP CN(CCC[NH+](C)C)CCNC(=O)Nc1ccccc1SC(F)F ZINC000854225443 731805858 /nfs/dbraw/zinc/80/58/58/731805858.db2.gz BJXUQVPJKGQKKA-UHFFFAOYSA-N 2 0 360.474 3.006 20 0 FGADRP COc1cc(CN2CCCC3(CC[NH+](C)CC3)C2)c(Br)cn1 ZINC000856740585 732050817 /nfs/dbraw/zinc/05/08/17/732050817.db2.gz KHHCRPKGOBUNFZ-UHFFFAOYSA-N 2 0 368.319 3.161 20 0 FGADRP C[C@@H]1C[C@@H](O)C[C@H](C)[N@H+]1CC[Si](C)(C)CC[NH+]1[C@@H](C)CC(O)C[C@@H]1C ZINC000859268955 732301385 /nfs/dbraw/zinc/30/13/85/732301385.db2.gz RIRKYXBESOHXRK-CBNQQXHVSA-N 2 0 370.654 3.162 20 0 FGADRP CC(C)[N@@H+]1CC[C@H](C[NH2+]C[C@H](CC(F)(F)F)NC(=O)OC(C)(C)C)C1 ZINC000865436134 733200807 /nfs/dbraw/zinc/20/08/07/733200807.db2.gz UWKPLGWFYVZQEK-KGLIPLIRSA-N 2 0 367.456 3.152 20 0 FGADRP C[N@@H+]1CCC[C@H](CC[NH2+]C[C@H](CC(F)(F)F)NC(=O)OC(C)(C)C)C1 ZINC000865600952 733234870 /nfs/dbraw/zinc/23/48/70/733234870.db2.gz WMKDRVYGLVGEKS-KGLIPLIRSA-N 2 0 367.456 3.154 20 0 FGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@@H](C)c2cc3c(ccnc3Cl)o2)CC1 ZINC000866260545 733330320 /nfs/dbraw/zinc/33/03/20/733330320.db2.gz VEHSMFDTGZOLCH-GJZGRUSLSA-N 2 0 364.921 3.405 20 0 FGADRP COc1ccc([C@H](C)[NH2+]CC[C@@H](O)C(F)F)cc1C[NH+]1CCCCC1 ZINC000866442216 733350273 /nfs/dbraw/zinc/35/02/73/733350273.db2.gz HCTWTUJHXLAWIV-WMLDXEAASA-N 2 0 356.457 3.348 20 0 FGADRP CC[N@@H+]1CC[C@@H]([NH2+][C@H]2CC[C@H](CNC(=O)OC(C)(C)C)CC2)[C@H](C)C1 ZINC000866453147 733351270 /nfs/dbraw/zinc/35/12/70/733351270.db2.gz IKQXBWJNLOSETD-BRSBDYLESA-N 2 0 353.551 3.390 20 0 FGADRP C[N@@H+]1CC[C@H]([NH2+][C@H]2CC[C@H](NC(=O)OC(C)(C)C)CC2)[C@@H]2CCC[C@H]21 ZINC000866467779 733354045 /nfs/dbraw/zinc/35/40/45/733354045.db2.gz PZYIAVMCNLAVFS-KFGODFMUSA-N 2 0 351.535 3.285 20 0 FGADRP C[NH+]1CCC(C[NH2+][C@H]2CCO[C@@H](C(C)(C)C)C2)(N2CCCCC2)CC1 ZINC000872037923 735580239 /nfs/dbraw/zinc/58/02/39/735580239.db2.gz HBNPZXSPPDLKGO-RBUKOAKNSA-N 2 0 351.579 3.120 20 0 FGADRP C[N@H+](CCCCCC[NH3+])CCC(=O)Nc1ccccc1Br ZINC000872155140 735597202 /nfs/dbraw/zinc/59/72/02/735597202.db2.gz MHLPIMQBUBQGMG-UHFFFAOYSA-N 2 0 356.308 3.229 20 0 FGADRP c1sc(CC[NH2+]Cc2cc3c(s2)CC[NH2+]C3)nc1-c1ccccn1 ZINC000873211406 735738556 /nfs/dbraw/zinc/73/85/56/735738556.db2.gz NAZQPEWFCDBXLP-UHFFFAOYSA-N 2 0 356.520 3.245 20 0 FGADRP CCOc1c(Br)cc(C[NH2+][C@H](C)C2CC[NH2+]CC2)cc1OC ZINC000873221864 735739672 /nfs/dbraw/zinc/73/96/72/735739672.db2.gz RVHUXWIOVSPFTI-GFCCVEGCSA-N 2 0 371.319 3.334 20 0 FGADRP Cc1ccc(S(=O)(=O)[C@H]2CCCC[C@H]2[NH2+][C@@H](C)C2CC[NH2+]CC2)cc1 ZINC000873273221 735744877 /nfs/dbraw/zinc/74/48/77/735744877.db2.gz ZJIMNXPDIHEUHC-DBVUQKKJSA-N 2 0 364.555 3.058 20 0 FGADRP Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@H]2[NH2+][C@@H](C)C2CC[NH2+]CC2)cc1 ZINC000873273226 735744897 /nfs/dbraw/zinc/74/48/97/735744897.db2.gz ZJIMNXPDIHEUHC-PWIZWCRZSA-N 2 0 364.555 3.058 20 0 FGADRP CC(C)[NH+]1CCC(CC[NH2+]C[C@@H](C)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC000877697584 736707953 /nfs/dbraw/zinc/70/79/53/736707953.db2.gz OJHQRSLTHYBGBN-QGZVFWFLSA-N 2 0 366.571 3.294 20 0 FGADRP CC1([NH+]2CCCC2)CCC([NH2+]Cc2ccccc2CS(C)(=O)=O)CC1 ZINC000886537100 739265089 /nfs/dbraw/zinc/26/50/89/739265089.db2.gz UBRQULRNDGPFCH-UHFFFAOYSA-N 2 0 364.555 3.118 20 0 FGADRP C[C@@H]1OC[C@]2(CC[C@@H](C[NH2+]C3CCC(C)([NH+]4CCCC4)CC3)O2)[C@H]1C ZINC000886768598 739295212 /nfs/dbraw/zinc/29/52/12/739295212.db2.gz DJOKWHRWQMGEIH-JNCQHCEUSA-N 2 0 350.547 3.346 20 0 FGADRP C[C@@H]1OC[C@]2(CC[C@H](C[NH2+]C3CCC(C)([NH+]4CCCC4)CC3)O2)[C@H]1C ZINC000886768600 739295482 /nfs/dbraw/zinc/29/54/82/739295482.db2.gz DJOKWHRWQMGEIH-OLWBGCKXSA-N 2 0 350.547 3.346 20 0 FGADRP CC[NH+](CC)CCOc1ccccc1C[NH2+]Cc1cn2ccnc2s1 ZINC000892597464 740021334 /nfs/dbraw/zinc/02/13/34/740021334.db2.gz TZJJHTORSVRMOG-UHFFFAOYSA-N 2 0 358.511 3.406 20 0 FGADRP CC[NH+](CC)Cc1cccc(C[NH2+][C@@H]2CCC3(C[C@@H]2F)OCCO3)c1 ZINC000892613143 740023189 /nfs/dbraw/zinc/02/31/89/740023189.db2.gz QMOMMFNGXSTGQG-RBUKOAKNSA-N 2 0 350.478 3.252 20 0 FGADRP O=S1CCC([NH2+]CCCC[NH+]2CCC(Cc3ccccc3)CC2)CC1 ZINC000892879305 740053722 /nfs/dbraw/zinc/05/37/22/740053722.db2.gz JOHRBWOPLDSRGE-UHFFFAOYSA-N 2 0 362.583 3.222 20 0 FGADRP CC1CC[NH+](C2CCC([NH2+][C@H]3CCC4(C[C@@H]3F)OCCO4)CC2)CC1 ZINC000893187654 742121500 /nfs/dbraw/zinc/12/15/00/742121500.db2.gz SKXRLBQKNJZYLI-BTRQGYIVSA-N 2 0 354.510 3.253 20 0 FGADRP COCC[N@@H+](Cc1cnc(CC(F)(F)F)s1)CC1CC[NH+](C)CC1 ZINC000895692339 742440229 /nfs/dbraw/zinc/44/02/29/742440229.db2.gz PJYIJFBGBAYEDP-UHFFFAOYSA-N 2 0 365.465 3.038 20 0 FGADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]CC2CCC(S(C)(=O)=O)CC2)CC1 ZINC000903155789 743814093 /nfs/dbraw/zinc/81/40/93/743814093.db2.gz HZIPXIFFXCWWKW-OQUMVOOASA-N 2 0 370.603 3.223 20 0 FGADRP CSC1(C[NH2+][C@H](C)c2cccc(COC(C)=O)c2)CC[NH+](C)CC1 ZINC000903173309 743816503 /nfs/dbraw/zinc/81/65/03/743816503.db2.gz YLHXTUHJPGSKNM-OAHLLOKOSA-N 2 0 350.528 3.228 20 0 FGADRP [NH3+]CC1(c2ccccc2)CC[NH+](Cc2ccncc2Br)CC1 ZINC000903792429 743884385 /nfs/dbraw/zinc/88/43/85/743884385.db2.gz ASETYSNTUPPVEO-UHFFFAOYSA-N 2 0 360.299 3.337 20 0 FGADRP Cc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@H]2C[NH2+]CCC2(F)F)cc1Cl ZINC000903957417 743905257 /nfs/dbraw/zinc/90/52/57/743905257.db2.gz QNNCSICJXNENBY-QWHCGFSZSA-N 2 0 359.848 3.200 20 0 FGADRP C[NH+](C)Cc1ccc(-c2cnc3c(cnn3C3CC[NH+](C)CC3)c2)s1 ZINC000904864230 743981363 /nfs/dbraw/zinc/98/13/63/743981363.db2.gz DRKKMXLKSSCGCS-UHFFFAOYSA-N 2 0 355.511 3.488 20 0 FGADRP CCC1([NH+]2CCCCC2)CCN(C(=S)NCC(C)(C)C[NH+](C)C)CC1 ZINC000905521344 744029195 /nfs/dbraw/zinc/02/91/95/744029195.db2.gz CVAJFEJFAWSIPS-UHFFFAOYSA-N 2 0 368.635 3.179 20 0 FGADRP CC(C)(C)OC(=O)NC[C@H]1CC[C@H]([NH2+]C2CC([NH+]3CCCCC3)C2)C1 ZINC000922081421 758847454 /nfs/dbraw/zinc/84/74/54/758847454.db2.gz OQNHZMCZJRYAER-VYMRPNJYSA-N 2 0 351.535 3.286 20 0 FGADRP CC(C)[C@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1cccc(C(F)(F)F)c1)C2 ZINC000922386376 758909530 /nfs/dbraw/zinc/90/95/30/758909530.db2.gz GZXQAZRZOIODQC-TVFCKZIOSA-N 2 0 356.432 3.275 20 0 FGADRP CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]Cc3cnc(C(C)(C)C)s3)C2)[C@@H]1C(C)C ZINC000922391708 758911586 /nfs/dbraw/zinc/91/15/86/758911586.db2.gz GKSNOFGDSQRPMC-PDOICOKGSA-N 2 0 365.587 3.400 20 0 FGADRP CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]Cc3ccnc(Cl)c3Cl)C2)[C@H]1C(C)C ZINC000922395634 758914817 /nfs/dbraw/zinc/91/48/17/758914817.db2.gz XUCSLZOVPGLCDX-GZOSKZMVSA-N 2 0 372.340 3.348 20 0 FGADRP CC[N@@H+]1CC[C@H](C[NH2+]C2CC3(C2)CCN(C(=O)OC(C)(C)C)CC3)C1 ZINC000924707377 759374190 /nfs/dbraw/zinc/37/41/90/759374190.db2.gz UGILYNMYUSJIBK-MRXNPFEDSA-N 2 0 351.535 3.098 20 0 FGADRP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1)C1(Br)CC1 ZINC000924969443 759425661 /nfs/dbraw/zinc/42/56/61/759425661.db2.gz JBUWSJITWQORRL-CQSZACIVSA-N 2 0 367.331 3.049 20 0 FGADRP C[C@H]1C[C@H]([NH2+]CC2CC[NH+](Cc3ccccc3Cl)CC2)c2ncnn21 ZINC000924988511 759428994 /nfs/dbraw/zinc/42/89/94/759428994.db2.gz BCSXYECYPIUIIT-KSSFIOAISA-N 2 0 359.905 3.439 20 0 FGADRP CC[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CCOC)Oc1ccccc1F ZINC000925217328 759463642 /nfs/dbraw/zinc/46/36/42/759463642.db2.gz XYQWNHXBDNITHW-HQSKLWIPSA-N 2 0 350.478 3.215 20 0 FGADRP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1)C1(Br)CC1 ZINC000925222778 759463811 /nfs/dbraw/zinc/46/38/11/759463811.db2.gz SVHPQHVRYPDVER-AWEZNQCLSA-N 2 0 367.331 3.049 20 0 FGADRP [NH3+]CCC[C@@H]([NH2+]C[C@@H](c1cccs1)N1CCOCC1)c1ccccc1 ZINC000925505964 759498286 /nfs/dbraw/zinc/49/82/86/759498286.db2.gz QHVUTOYLDSHAFT-MOPGFXCFSA-N 2 0 359.539 3.191 20 0 FGADRP [NH3+][C@@H]1C[C@H]([NH2+]C[C@@H]2CCN(c3ccc(Br)cc3)C2)C12CCC2 ZINC000925586585 759510195 /nfs/dbraw/zinc/51/01/95/759510195.db2.gz VFZJTSRAEQLTNK-XKQJLSEDSA-N 2 0 364.331 3.135 20 0 FGADRP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]C[C@H]2C[NH2+]CCC2(F)F)c2ccccc21 ZINC000925777855 759535973 /nfs/dbraw/zinc/53/59/73/759535973.db2.gz QZKJAGRXZZHMEA-KBRIMQKVSA-N 2 0 352.425 3.003 20 0 FGADRP [NH3+][C@@H]1CC[C@H](C[NH2+]C2CCN(Cc3ccccc3Br)CC2)C1 ZINC000925881528 759565650 /nfs/dbraw/zinc/56/56/50/759565650.db2.gz CHSRFTXJJSZFGU-GOEBONIOSA-N 2 0 366.347 3.131 20 0 FGADRP CC[NH+](CC)C[C@H]1CC[N@H+](C[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)C2)C1 ZINC000929747080 760448183 /nfs/dbraw/zinc/44/81/83/760448183.db2.gz ARNVTGDUQOHYQY-KURKYZTESA-N 2 0 353.551 3.344 20 0 FGADRP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]([NH2+]Cc3ccc(Cl)cc3C)C2)CC[N@@H+]1C ZINC000968738117 762842114 /nfs/dbraw/zinc/84/21/14/762842114.db2.gz MXYYOHNRGTUFFY-CEXWTWQISA-N 2 0 363.933 3.069 20 0 FGADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](C[NH2+]Cc3ccc(Cl)s3)C2)CC[N@@H+]1C ZINC000983713196 763663681 /nfs/dbraw/zinc/66/36/81/763663681.db2.gz HOBRBWFVVDFWDY-DARAHFNDSA-N 2 0 369.962 3.116 20 0 FGADRP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]([NH2+]Cc3ccc(Cl)cc3C)C2)CC[N@@H+]1C ZINC001018870416 765847003 /nfs/dbraw/zinc/84/70/03/765847003.db2.gz MXYYOHNRGTUFFY-GBESFXJTSA-N 2 0 363.933 3.069 20 0 FGADRP Cc1cc(C[NH2+]C[C@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)c(C)s1 ZINC001023991395 766047556 /nfs/dbraw/zinc/04/75/56/766047556.db2.gz VTWVGZIFIIEFQV-SZVBFZGTSA-N 2 0 363.571 3.033 20 0 FGADRP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCCC[NH+]2Cc2csc(C)c2)CC[N@@H+]1C ZINC001024448554 766054051 /nfs/dbraw/zinc/05/40/51/766054051.db2.gz QLJHJQXJNNPHKX-CEXWTWQISA-N 2 0 363.571 3.258 20 0 FGADRP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCC[NH+]2Cc2cccc(Cl)c2)CC[N@@H+]1C ZINC001027892618 766104170 /nfs/dbraw/zinc/10/41/70/766104170.db2.gz AQFGOFGLLMHAIF-CEXWTWQISA-N 2 0 363.933 3.151 20 0 FGADRP CC[C@@H](c1ccc(Cl)cc1)[NH+]1CC(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001031681471 766182632 /nfs/dbraw/zinc/18/26/32/766182632.db2.gz UHDREZLBTQOQHL-ZMYBRWDISA-N 2 0 363.933 3.179 20 0 FGADRP C[C@@H]1CCC[N@H+](CCCC[NH2+][C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000779013854 724381008 /nfs/dbraw/zinc/38/10/08/724381008.db2.gz JDLYOUQQVVFEMA-QZTJIDSGSA-N 2 0 353.551 3.488 20 0 FGADRP CC[C@H]([NH2+]CCCN1CC[NH+](C)CC1)c1ccc(Br)cc1 ZINC000020567382 257333208 /nfs/dbraw/zinc/33/32/08/257333208.db2.gz CRGLKEQGKAINJW-KRWDZBQOSA-N 2 0 354.336 3.127 20 0 FGADRP C[N@@H+]1CC[C@@H](CNc2cc[nH+]cc2C(N)=O)[C@H]1c1ccc(Cl)c(F)c1 ZINC000302145620 257385403 /nfs/dbraw/zinc/38/54/03/257385403.db2.gz JBVYGVDKPPBAKX-YVEFUNNKSA-N 2 0 362.836 3.078 20 0 FGADRP CSC1(C[NH2+]Cc2cn(C)nc2C2CCCCC2)CC[NH+](C)CC1 ZINC000568010760 505595841 /nfs/dbraw/zinc/59/58/41/505595841.db2.gz RILXADQUMVHVOD-UHFFFAOYSA-N 2 0 350.576 3.385 20 0 FGADRP CC1(C(=O)NCc2ccccc2-c2ccc(C[NH+]3CCCC3)cc2)C[NH2+]C1 ZINC000576820696 505602339 /nfs/dbraw/zinc/60/23/39/505602339.db2.gz WFMCKQTVZAYSLA-UHFFFAOYSA-N 2 0 363.505 3.175 20 0 FGADRP COc1cc(Br)c(C[NH+]2CCC(CC[NH3+])CC2)cc1OC ZINC000070187505 494042374 /nfs/dbraw/zinc/04/23/74/494042374.db2.gz RVOPJQWBUWDIFJ-UHFFFAOYSA-N 2 0 357.292 3.027 20 0 FGADRP C/C(=C/c1cccc(C(F)(F)F)c1)C[NH2+]CCCN1CC[NH+](C)CC1 ZINC000568077940 505611439 /nfs/dbraw/zinc/61/14/39/505611439.db2.gz YHFOPGUMICVFQB-SSZFMOIBSA-N 2 0 355.448 3.336 20 0 FGADRP C[C@H]1C[C@@H](NC(=O)Nc2ccc3c(c2)C[NH2+]C3)C[N@@H+]1Cc1ccccc1 ZINC000570910000 505609475 /nfs/dbraw/zinc/60/94/75/505609475.db2.gz VYSTUIKJRDTDFI-MGPUTAFESA-N 2 0 350.466 3.074 20 0 FGADRP C[C@H](C[NH+]1CC[C@@H](c2ccncc2)C1)C[N@@H+]1CC[C@H](c2ccncc2)C1 ZINC000568176982 505635213 /nfs/dbraw/zinc/63/52/13/505635213.db2.gz JZFMWUKVFAHFHF-RGPKIKJVSA-N 2 0 350.510 3.392 20 0 FGADRP C[C@H]1C[C@@H](N(C)C(=O)C[NH+]2CCC(C)(C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000568200868 505642468 /nfs/dbraw/zinc/64/24/68/505642468.db2.gz BOWNDHMLRKRLOD-ICSRJNTNSA-N 2 0 357.542 3.230 20 0 FGADRP CC[N@H+](CCC1CC[NH+](Cc2cc(C(=O)OC)n(C)c2)CC1)CC1CC1 ZINC000577025517 505647279 /nfs/dbraw/zinc/64/72/79/505647279.db2.gz GBGXNUBVIZYLTI-UHFFFAOYSA-N 2 0 361.530 3.146 20 0 FGADRP C[C@H](C[N@@H+]1CCCC[C@@H]1CNC(=O)CC[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000579952997 505652133 /nfs/dbraw/zinc/65/21/33/505652133.db2.gz YTEHXAMIGVMPRK-RHSMWYFYSA-N 2 0 371.447 3.128 20 0 FGADRP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]C[C@H]2COc3ccccc32)CC1 ZINC000577051127 505652428 /nfs/dbraw/zinc/65/24/28/505652428.db2.gz FSJDYLUGMBFEDN-INIZCTEOSA-N 2 0 371.912 3.358 20 0 FGADRP C[C@@H]([NH2+]Cc1ccncc1OCC[NH+](C)C)c1ccc(-n2cccn2)cc1 ZINC000573955840 505660158 /nfs/dbraw/zinc/66/01/58/505660158.db2.gz LZZFTJYIDZJXTM-QGZVFWFLSA-N 2 0 365.481 3.059 20 0 FGADRP C[C@@H]([NH2+][C@H]1CCOC2(CCOCC2)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000568307464 505663071 /nfs/dbraw/zinc/66/30/71/505663071.db2.gz WRQVXQCHQQJLSN-MJGOQNOKSA-N 2 0 362.514 3.006 20 0 FGADRP CC(C)C[N@@H+]1CC[C@H](C[NH2+]C[C@@H](O)COc2cccc(C(F)(F)F)c2)C1 ZINC000568382266 505680772 /nfs/dbraw/zinc/68/07/72/505680772.db2.gz VNNWPGASPNRLPN-NVXWUHKLSA-N 2 0 374.447 3.013 20 0 FGADRP CC(C)C[N@@H+]1CC[C@H](C[NH2+]C[C@H](O)COc2cccc(C(F)(F)F)c2)C1 ZINC000568382268 505680900 /nfs/dbraw/zinc/68/09/00/505680900.db2.gz VNNWPGASPNRLPN-WBVHZDCISA-N 2 0 374.447 3.013 20 0 FGADRP Cc1cc2ncn(C[C@@H](O)C[NH2+]CCCC[N@H+]3CCCC[C@H]3C)c2cc1C ZINC000568384030 505681882 /nfs/dbraw/zinc/68/18/82/505681882.db2.gz SQSSIVWUASSDPV-UXHICEINSA-N 2 0 372.557 3.258 20 0 FGADRP C[C@H]1CCCN(C(=O)C[NH+]2CCC(C[N@H+](C)Cc3ccccc3)CC2)C1 ZINC000057924445 493815363 /nfs/dbraw/zinc/81/53/63/493815363.db2.gz UXNBQKFCNSHDDQ-IBGZPJMESA-N 2 0 357.542 3.089 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)NC1CC[NH+](C2CC2)CC1)c1ccsc1 ZINC000048395058 493825483 /nfs/dbraw/zinc/82/54/83/493825483.db2.gz HZKKDPMXMUPHCO-SFHVURJKSA-N 2 0 364.559 3.057 20 0 FGADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCC(=O)Nc2ccc(Cl)cc2F)[C@H](C)C1 ZINC000081096403 493831601 /nfs/dbraw/zinc/83/16/01/493831601.db2.gz QAQBYAASUUUQFJ-CXAGYDPISA-N 2 0 355.885 3.470 20 0 FGADRP C[C@@H](CC[NH+](C)C)NC(=O)NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000068597324 493846432 /nfs/dbraw/zinc/84/64/32/493846432.db2.gz VAEDPXMFIMSOFK-ROUUACIJSA-N 2 0 360.546 3.200 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)NCCC[NH+](C)Cc2ccccc2)C1 ZINC000061501588 493981032 /nfs/dbraw/zinc/98/10/32/493981032.db2.gz OLPYDSVTLYFRES-BGYRXZFFSA-N 2 0 374.573 3.176 20 0 FGADRP CC1CC[NH+](CCNC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000061550869 493982664 /nfs/dbraw/zinc/98/26/64/493982664.db2.gz GUMXLLZYJIOGPZ-UHFFFAOYSA-N 2 0 372.557 3.204 20 0 FGADRP CCCC[N@H+](C)CC1CC[NH+](C[C@@H](O)COc2ccc(F)cc2)CC1 ZINC000052208464 494011294 /nfs/dbraw/zinc/01/12/94/494011294.db2.gz CRXNNHCSMSYCDX-LJQANCHMSA-N 2 0 352.494 3.009 20 0 FGADRP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+](CC(C)C)C(C)C)CC1 ZINC000052589443 494043385 /nfs/dbraw/zinc/04/33/85/494043385.db2.gz UPPPJRFINIYYPI-UHFFFAOYSA-N 2 0 359.558 3.442 20 0 FGADRP C[C@H]1CCCC[N@@H+]1CCCNC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000063665411 494075555 /nfs/dbraw/zinc/07/55/55/494075555.db2.gz KIKNGEARDVMJNX-IBGZPJMESA-N 2 0 357.542 3.279 20 0 FGADRP C[C@H](CNC(=O)C1CC[NH+](Cc2ccccc2)CC1)C[NH+]1CCCCC1 ZINC000063781700 494088128 /nfs/dbraw/zinc/08/81/28/494088128.db2.gz NETNWDKDEOYQOH-LJQANCHMSA-N 2 0 357.542 3.137 20 0 FGADRP CC(C)CC[NH+]1CCC(CNC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)CC1 ZINC000085365410 494117541 /nfs/dbraw/zinc/11/75/41/494117541.db2.gz YMNCVFKKJJKZSZ-KRWDZBQOSA-N 2 0 354.583 3.020 20 0 FGADRP C[C@H]1C[C@H](C)C[NH+](CCC[NH2+]CCC(=O)Nc2cc(F)cc(F)c2)C1 ZINC000568469227 505701432 /nfs/dbraw/zinc/70/14/32/505701432.db2.gz HYOKBHKAGYSBGD-GJZGRUSLSA-N 2 0 353.457 3.251 20 0 FGADRP Cc1ccc([C@H](CNC(=O)NCCCC[NH+]2CCC(C)CC2)[NH+](C)C)cc1 ZINC000065469720 494201409 /nfs/dbraw/zinc/20/14/09/494201409.db2.gz DDBBBGGTGGDOMZ-NRFANRHFSA-N 2 0 374.573 3.409 20 0 FGADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)NC[C@H](C)[NH+]1CCC(C)CC1 ZINC000065480346 494202555 /nfs/dbraw/zinc/20/25/55/494202555.db2.gz BGZRWGGHOLAWBJ-IBGZPJMESA-N 2 0 374.573 3.446 20 0 FGADRP CC[NH+](CC)Cc1ccc(C(=O)N2CC[N@@H+]([C@@H]3C[C@@H]3C)C[C@H](C)C2)cc1 ZINC000568495061 505708833 /nfs/dbraw/zinc/70/88/33/505708833.db2.gz RHDKHRUXHQWCRA-BBTUJRGHSA-N 2 0 357.542 3.331 20 0 FGADRP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)c1ccc([C@H](C)[NH3+])cc1 ZINC000568507112 505712155 /nfs/dbraw/zinc/71/21/55/505712155.db2.gz XHHUGSWTNNJFDZ-INIZCTEOSA-N 2 0 352.482 3.019 20 0 FGADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000078559860 494320261 /nfs/dbraw/zinc/32/02/61/494320261.db2.gz VYBHFLTYMWVSKB-DLBZAZTESA-N 2 0 364.559 3.059 20 0 FGADRP CC(C)[NH+]1CCC(C(=O)N2CC[N@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC000073432845 494370719 /nfs/dbraw/zinc/37/07/19/494370719.db2.gz QFDBKYPFWGNDIO-UHFFFAOYSA-N 2 0 357.542 3.230 20 0 FGADRP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)NCCC[NH+](C)Cc1ccccc1 ZINC000073537756 494386035 /nfs/dbraw/zinc/38/60/35/494386035.db2.gz OTDNBFWDUYHULD-FQEVSTJZSA-N 2 0 360.546 3.024 20 0 FGADRP CC[NH+](CC)[C@H]1CCN(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000073542158 494387202 /nfs/dbraw/zinc/38/72/02/494387202.db2.gz JZJWEKIVTCPVEK-NRFANRHFSA-N 2 0 372.557 3.298 20 0 FGADRP O=C(NCCC[NH+]1CCCC1)C1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000044913412 494388138 /nfs/dbraw/zinc/38/81/38/494388138.db2.gz BZZWPQLSCNEXEF-UHFFFAOYSA-N 2 0 363.933 3.154 20 0 FGADRP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)c2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000044907668 494388209 /nfs/dbraw/zinc/38/82/09/494388209.db2.gz FHAISTAMJABHOR-RTBURBONSA-N 2 0 357.542 3.380 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000079121449 494406432 /nfs/dbraw/zinc/40/64/32/494406432.db2.gz JOPNZJAEQDGUAO-QUCCMNQESA-N 2 0 360.546 3.243 20 0 FGADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)NC2CC[NH+](CC3CCCC3)CC2)C1 ZINC000073911036 494447590 /nfs/dbraw/zinc/44/75/90/494447590.db2.gz FWYHEHMBNXDCPI-IBGZPJMESA-N 2 0 364.578 3.014 20 0 FGADRP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(OCc3nccn3C)cc2)[C@H](C)C1 ZINC000079461530 494458961 /nfs/dbraw/zinc/45/89/61/494458961.db2.gz FSGHMMXAXAEYNH-YLJYHZDGSA-N 2 0 356.514 3.161 20 0 FGADRP C[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1ccc2c(c1)OCCCO2 ZINC000090523142 494478448 /nfs/dbraw/zinc/47/84/48/494478448.db2.gz PYJVVCBKOYFVOK-AHRSYUTCSA-N 2 0 374.525 3.266 20 0 FGADRP C[C@@H]([NH2+][C@@H]1CCO[C@]2(CCSC2)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000090541740 494480191 /nfs/dbraw/zinc/48/01/91/494480191.db2.gz VPPQILBPVBFLST-YVWKXTFCSA-N 2 0 364.555 3.332 20 0 FGADRP CCc1nn(C)c(CC)c1C[NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000090846160 494500436 /nfs/dbraw/zinc/50/04/36/494500436.db2.gz HLELNLWDSBCIJE-INIZCTEOSA-N 2 0 358.530 3.336 20 0 FGADRP C[NH+](C)CCOc1cc(C[NH2+][C@@H](C[C@@H]2CCOC2)c2ccccc2)ccn1 ZINC000090937391 494504837 /nfs/dbraw/zinc/50/48/37/494504837.db2.gz ZEPLAYKXGWBZIK-FPOVZHCZSA-N 2 0 369.509 3.280 20 0 FGADRP C[C@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)c1ccc(-n2ccnc2)cc1 ZINC000090937084 494505037 /nfs/dbraw/zinc/50/50/37/494505037.db2.gz DRMNLXWXXDTTMO-KRWDZBQOSA-N 2 0 365.481 3.059 20 0 FGADRP C[NH+](C)CCC1CC[NH+](C[C@@H](O)COc2ccc3ccccc3c2)CC1 ZINC000056523138 494519630 /nfs/dbraw/zinc/51/96/30/494519630.db2.gz LLPJPYCJTCCADJ-OAQYLSRUSA-N 2 0 356.510 3.243 20 0 FGADRP CC[NH+]1CCN(c2ccc(C(=O)NCCC[NH+](C(C)C)C(C)C)cc2)CC1 ZINC000074337568 494521479 /nfs/dbraw/zinc/52/14/79/494521479.db2.gz NYVCEPMWYPSFMT-UHFFFAOYSA-N 2 0 374.573 3.067 20 0 FGADRP CC[NH+](CC)CCN(CC(C)C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000107832861 494608330 /nfs/dbraw/zinc/60/83/30/494608330.db2.gz WFRIOZHCSZQRLL-NRFANRHFSA-N 2 0 374.573 3.270 20 0 FGADRP CC(C)[N@@H+]1CC[C@H](CNC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000067685713 494610981 /nfs/dbraw/zinc/61/09/81/494610981.db2.gz JOTYYHDHOFAOGI-OAQYLSRUSA-N 2 0 372.557 3.202 20 0 FGADRP CCOc1c(C[NH+]2CCC(CC[NH+](C)C)CC2)c(C)nn1CC(C)C ZINC000092380898 494610972 /nfs/dbraw/zinc/61/09/72/494610972.db2.gz IVGDGFYHIHUCFM-UHFFFAOYSA-N 2 0 350.551 3.410 20 0 FGADRP Cc1ccc(F)c(C[NH+]2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)c1 ZINC000092426267 494623341 /nfs/dbraw/zinc/62/33/41/494623341.db2.gz DCPIMMCUUUYLOU-UHFFFAOYSA-N 2 0 363.521 3.050 20 0 FGADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)NCC(C)(C)[NH2+][C@@H](C)c2ccccc2)C1 ZINC000121372093 494725143 /nfs/dbraw/zinc/72/51/43/494725143.db2.gz AIWLPQMSEYHIHU-RBUKOAKNSA-N 2 0 374.573 3.393 20 0 FGADRP CC1CC[NH+](Cc2ccccc2CNC(=O)NC[C@H]2CCC[N@H+](C)C2)CC1 ZINC000108549549 494735012 /nfs/dbraw/zinc/73/50/12/494735012.db2.gz YGQDLXODBHLDDR-LJQANCHMSA-N 2 0 372.557 3.060 20 0 FGADRP CC1CC[NH+]([C@@H](CNC(=O)NC[C@H]2CCC[N@H+](C)C2)c2ccccc2)CC1 ZINC000108561914 494740208 /nfs/dbraw/zinc/74/02/08/494740208.db2.gz MPQQLANEMOYYSJ-CTNGQTDRSA-N 2 0 372.557 3.101 20 0 FGADRP CC[NH+](CC)CCCNC(=O)C1CC[NH+](C[C@H]2CCC[C@@H](C)C2)CC1 ZINC000092794256 494751559 /nfs/dbraw/zinc/75/15/59/494751559.db2.gz AOMUPENMPLPWPJ-MOPGFXCFSA-N 2 0 351.579 3.373 20 0 FGADRP CC(C)[NH2+]CCCNC(=O)NCc1ccccc1C[NH+]1CCC(C)CC1 ZINC000574299604 505741390 /nfs/dbraw/zinc/74/13/90/505741390.db2.gz WNRWIWTXPCIZKE-UHFFFAOYSA-N 2 0 360.546 3.106 20 0 FGADRP C[C@@H]1C[N@@H+](CCCC[NH2+]Cc2cn(C)nc2-c2ccccc2)C[C@H](C)O1 ZINC000093066169 494822087 /nfs/dbraw/zinc/82/20/87/494822087.db2.gz OTHDLQULVMTEPV-HDICACEKSA-N 2 0 356.514 3.066 20 0 FGADRP C[C@@H]1C[NH+](CCCC[NH2+]Cc2cn(C)nc2-c2ccccc2)C[C@@H](C)O1 ZINC000093066171 494822589 /nfs/dbraw/zinc/82/25/89/494822589.db2.gz OTHDLQULVMTEPV-QZTJIDSGSA-N 2 0 356.514 3.066 20 0 FGADRP C[C@H](NC(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H](c1ccccc1)[NH+](C)C ZINC000577529617 505746081 /nfs/dbraw/zinc/74/60/81/505746081.db2.gz VVKKRZINDWQVQI-NYVOZVTQSA-N 2 0 365.521 3.316 20 0 FGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1 ZINC000116816771 494857162 /nfs/dbraw/zinc/85/71/62/494857162.db2.gz IVOBQYBQGAUZEB-MRXNPFEDSA-N 2 0 353.894 3.093 20 0 FGADRP Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000574322676 505746727 /nfs/dbraw/zinc/74/67/27/505746727.db2.gz RWUHSJJJQFYMHF-SFHVURJKSA-N 2 0 356.489 3.450 20 0 FGADRP CC[N@H+](CC(=O)N1CCC[NH+](Cc2ccc(C)cc2)CC1)C1CCCC1 ZINC000577532745 505746740 /nfs/dbraw/zinc/74/67/40/505746740.db2.gz QYNZHNCARXYBHW-UHFFFAOYSA-N 2 0 357.542 3.294 20 0 FGADRP C[NH+](C)CCN1CCC([NH2+][C@@H]2CCCOc3cc4c(cc32)CCC4)CC1 ZINC000121869659 494878486 /nfs/dbraw/zinc/87/84/86/494878486.db2.gz WWZWJLJASNAEMC-OAQYLSRUSA-N 2 0 357.542 3.005 20 0 FGADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H]2CCCc3ncc(C(F)(F)F)cc32)CC1 ZINC000132534540 494888981 /nfs/dbraw/zinc/88/89/81/494888981.db2.gz YZXUAYXEENPIAB-YOEHRIQHSA-N 2 0 370.463 3.093 20 0 FGADRP Cc1ccc([C@H](CNC(=O)Nc2cccc(C[NH+](C)C)c2)[NH+](C)C)cc1 ZINC000127137083 494899303 /nfs/dbraw/zinc/89/93/03/494899303.db2.gz XEQLCFNCBCUKDB-FQEVSTJZSA-N 2 0 354.498 3.481 20 0 FGADRP Cc1ccc([C@@H](CNC(=O)Nc2cccc(C[NH+](C)C)c2)[NH+](C)C)cc1 ZINC000127136850 494899535 /nfs/dbraw/zinc/89/95/35/494899535.db2.gz XEQLCFNCBCUKDB-HXUWFJFHSA-N 2 0 354.498 3.481 20 0 FGADRP C[C@@H]1C[NH+](CC2CC[NH+](CCC(=O)c3ccc(F)cc3)CC2)C[C@@H](C)O1 ZINC000121972786 494901354 /nfs/dbraw/zinc/90/13/54/494901354.db2.gz CKTHWVWMDMRLAP-IAGOWNOFSA-N 2 0 362.489 3.220 20 0 FGADRP CC[NH+](CC)Cc1ccc(C[NH2+][C@H](C)CS(=O)(=O)c2ccccc2)cc1 ZINC000122016968 494909864 /nfs/dbraw/zinc/90/98/64/494909864.db2.gz KQWVFPFYGCPUCC-GOSISDBHSA-N 2 0 374.550 3.480 20 0 FGADRP CC[N@H+](Cc1ccc(C(=O)N(C)[C@@H]2CC[NH+](CC)C[C@H]2C)cc1)C1CC1 ZINC000122120893 494927487 /nfs/dbraw/zinc/92/74/87/494927487.db2.gz ORXDGHRQZMEJKR-DYESRHJHSA-N 2 0 357.542 3.473 20 0 FGADRP C[C@@H]([NH2+][C@H](CN1CC[NH+](C)CC1)c1ccccc1)c1ccccc1N(C)C ZINC000093944414 494937928 /nfs/dbraw/zinc/93/79/28/494937928.db2.gz XRYHWHBHTAWUSO-DENIHFKCSA-N 2 0 366.553 3.392 20 0 FGADRP CC(C)[C@H](C[NH2+][C@@H](C)CC(=O)Nc1cccnc1Cl)[NH+]1CCCC1 ZINC000132950359 494947640 /nfs/dbraw/zinc/94/76/40/494947640.db2.gz OPPXJNJDTIPCMB-HOCLYGCPSA-N 2 0 352.910 3.162 20 0 FGADRP C[C@@H](C[NH2+]C1CCN(c2ccc(C(C)(C)C)cc2)CC1)N1CC[NH+](C)CC1 ZINC000127459954 494947787 /nfs/dbraw/zinc/94/77/87/494947787.db2.gz WQCFRKYSZZFPGX-IBGZPJMESA-N 2 0 372.601 3.178 20 0 FGADRP CCCCNc1ccccc1C(=O)NC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000127463914 494948571 /nfs/dbraw/zinc/94/85/71/494948571.db2.gz JKSJGKHLVHCLFZ-UHFFFAOYSA-N 2 0 372.557 3.187 20 0 FGADRP C/C=C/COc1ccc(CC[C@H](C)[NH2+]C[C@@H](C)N2CC[NH+](C)CC2)cc1 ZINC000127533242 494957685 /nfs/dbraw/zinc/95/76/85/494957685.db2.gz AYCIYTJPGZHJNF-MNVMYWNISA-N 2 0 359.558 3.188 20 0 FGADRP C[NH+](C)Cc1cccc(NC(=O)N2CC[NH+](CC3CCCCC3)CC2)c1 ZINC000128105577 495045496 /nfs/dbraw/zinc/04/54/96/495045496.db2.gz NTVFZNXYFMZPMF-UHFFFAOYSA-N 2 0 358.530 3.478 20 0 FGADRP CC[NH+](CC)CCCNC(=O)C1CC[NH+](CCc2ccc(C)cc2)CC1 ZINC000128126498 495049023 /nfs/dbraw/zinc/04/90/23/495049023.db2.gz ROVCPSDNTGLECA-UHFFFAOYSA-N 2 0 359.558 3.098 20 0 FGADRP CC(C)(O)[C@H]1CCC[N@@H+]1Cc1ccccc1C[NH+]1CCC[C@H]1C(C)(C)O ZINC000119002602 495068284 /nfs/dbraw/zinc/06/82/84/495068284.db2.gz GYVFSSBGBALMIN-BGYRXZFFSA-N 2 0 360.542 3.157 20 0 FGADRP O=C(NC1CC1)[C@H]([NH2+]CCCCC[NH+]1CCCCC1)c1ccc(F)cc1 ZINC000111374835 495068872 /nfs/dbraw/zinc/06/88/72/495068872.db2.gz HINBIUNRNQHFCZ-HXUWFJFHSA-N 2 0 361.505 3.391 20 0 FGADRP C[C@H]1CCC[N@H+](CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)CC1 ZINC000101546998 495075532 /nfs/dbraw/zinc/07/55/32/495075532.db2.gz DHPRLFNZDRMMHD-KRWDZBQOSA-N 2 0 361.555 3.296 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H](NC[C@@H]2CCC[NH+]2Cc2ccccc2)[C@H](C)C1 ZINC000119111673 495096069 /nfs/dbraw/zinc/09/60/69/495096069.db2.gz KIJZVHMMSBSZLD-PUHATCMVSA-N 2 0 373.585 3.378 20 0 FGADRP c1cc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)cc(-c2ccncc2)c1 ZINC000134107859 495106974 /nfs/dbraw/zinc/10/69/74/495106974.db2.gz KISBBFKIVULFFR-UHFFFAOYSA-N 2 0 351.494 3.293 20 0 FGADRP Cc1nc(C(C)(C)C)sc1[C@@H](C)NCc1nnc(C2CC[NH2+]CC2)[nH]1 ZINC000577602134 505761826 /nfs/dbraw/zinc/76/18/26/505761826.db2.gz VUDKHKPRGBSKCT-LLVKDONJSA-N 2 0 362.547 3.185 20 0 FGADRP C[C@@H]([NH2+]CCCN1CCC[N@H+](C)CC1)c1nc(-c2ccccc2)cs1 ZINC000128617307 495125066 /nfs/dbraw/zinc/12/50/66/495125066.db2.gz BYRVFOUAKWEHJX-QGZVFWFLSA-N 2 0 358.555 3.488 20 0 FGADRP Cc1ccccc1C[C@@H](C)NC(=O)C[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123496658 495141270 /nfs/dbraw/zinc/14/12/70/495141270.db2.gz PLDQBZASQVUHQC-LJQANCHMSA-N 2 0 359.558 3.096 20 0 FGADRP O=C(C[N@@H+]1CCC[C@@H]1C1CCC1)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000102927914 495173782 /nfs/dbraw/zinc/17/37/82/495173782.db2.gz FKPYJCJUONMMBX-HXUWFJFHSA-N 2 0 373.566 3.438 20 0 FGADRP COc1ccc(O[C@H](C)C[NH2+]C2CCN(Cc3cccnc3)CC2)cc1 ZINC000129092741 495194520 /nfs/dbraw/zinc/19/45/20/495194520.db2.gz DJQNMJJFADGYIY-QGZVFWFLSA-N 2 0 355.482 3.112 20 0 FGADRP C[C@@H]1C[C@@H]([NH3+])CCN1Cc1ccnc(-c2ccc(Br)cc2)n1 ZINC000574410302 505766835 /nfs/dbraw/zinc/76/68/35/505766835.db2.gz FXWPQKKCTXMBSL-DOMZBBRYSA-N 2 0 361.287 3.218 20 0 FGADRP C[C@H]1C[C@@H]([NH3+])CCN1Cc1ccnc(-c2ccc(Br)cc2)n1 ZINC000574410305 505767303 /nfs/dbraw/zinc/76/73/03/505767303.db2.gz FXWPQKKCTXMBSL-WFASDCNBSA-N 2 0 361.287 3.218 20 0 FGADRP CC(C)c1ccccc1OC[C@H](O)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134910775 495221935 /nfs/dbraw/zinc/22/19/35/495221935.db2.gz APNBHYNMCDBESV-SYYKKAFVSA-N 2 0 372.553 3.498 20 0 FGADRP CC[NH+]1CCN(c2ccc(C[NH2+][C@H]3CCC[C@@H](C(F)(F)F)C3)cn2)CC1 ZINC000129314809 495227844 /nfs/dbraw/zinc/22/78/44/495227844.db2.gz QTOXHXLAPRQRRY-SJORKVTESA-N 2 0 370.463 3.434 20 0 FGADRP C[NH+](C)CCC1CC[NH+](C[C@@H](O)c2ccc(Br)cc2)CC1 ZINC000103555105 495246892 /nfs/dbraw/zinc/24/68/92/495246892.db2.gz OIEVQJDRGMXOLH-QGZVFWFLSA-N 2 0 355.320 3.146 20 0 FGADRP C[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1)c1ccccc1 ZINC000129489900 495252852 /nfs/dbraw/zinc/25/28/52/495252852.db2.gz SNHBEYOHMOLPNA-UWJYYQICSA-N 2 0 351.494 3.235 20 0 FGADRP C[NH+]1CCN(C(C)(C)C[NH2+]Cc2ccc(Br)cc2Cl)CC1 ZINC000135144340 495255923 /nfs/dbraw/zinc/25/59/23/495255923.db2.gz ZHPHIMQIPKSPPN-UHFFFAOYSA-N 2 0 374.754 3.218 20 0 FGADRP Cc1ccccc1[C@@H]([NH3+])C(=O)Nc1cccc(C[NH+]2CCSCC2)c1C ZINC000568752248 505770622 /nfs/dbraw/zinc/77/06/22/505770622.db2.gz PCPQKUKUFRZFEQ-HXUWFJFHSA-N 2 0 369.534 3.491 20 0 FGADRP COC[C@@H]1CCC[N@H+](Cc2cccc(C[NH+]3CCC[C@H](COC)C3)c2)C1 ZINC000112990928 495265829 /nfs/dbraw/zinc/26/58/29/495265829.db2.gz BKWDPQFNPSQRBV-SZPZYZBQSA-N 2 0 360.542 3.403 20 0 FGADRP C[N@H+](CCC[NH+]1CCCC1)C1CCN(c2ncnc3ccccc32)CC1 ZINC000120077625 495302105 /nfs/dbraw/zinc/30/21/05/495302105.db2.gz UVSIORYPPLBOCS-UHFFFAOYSA-N 2 0 353.514 3.016 20 0 FGADRP C[NH+](C)C[C@H]1CCN(C(=O)NCc2ccccc2C[NH+]2CCCCCC2)C1 ZINC000129987989 495325201 /nfs/dbraw/zinc/32/52/01/495325201.db2.gz HNPRJGOKFFRZNL-LJQANCHMSA-N 2 0 372.557 3.156 20 0 FGADRP C[NH+](C)CC1CCC([NH2+]C[C@H](O)CO[C@H]2CCCc3ccccc32)CC1 ZINC000571633946 505779206 /nfs/dbraw/zinc/77/92/06/505779206.db2.gz GEADUHQIYVVQAI-XHXISMBCSA-N 2 0 360.542 3.152 20 0 FGADRP COc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]CCC1CC[NH+](C)CC1 ZINC000125415505 495441139 /nfs/dbraw/zinc/44/11/39/495441139.db2.gz FYCOYQZJANYZOV-CQSZACIVSA-N 2 0 367.921 3.387 20 0 FGADRP C[NH+](C)CC1CCC(NC(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)CC1 ZINC000137672079 495448622 /nfs/dbraw/zinc/44/86/22/495448622.db2.gz IZFQBIYHAONZFN-DQVLVPHSSA-N 2 0 372.557 3.243 20 0 FGADRP C[NH+](C)Cc1ccc(C(=O)NC2CC[NH+](Cc3ccsc3)CC2)cc1 ZINC000115115027 495463846 /nfs/dbraw/zinc/46/38/46/495463846.db2.gz HZFKOKSKHLCEBZ-UHFFFAOYSA-N 2 0 357.523 3.204 20 0 FGADRP CC[C@@H]([NH2+]C[C@@H](C)CN1CC[NH+](C)CC1)c1cc(Cl)ccc1OC ZINC000120840109 495468827 /nfs/dbraw/zinc/46/88/27/495468827.db2.gz BJZFUAWVTOFYKB-CRAIPNDOSA-N 2 0 353.938 3.273 20 0 FGADRP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@H]2C(C)C)CC1 ZINC000140588363 495497849 /nfs/dbraw/zinc/49/78/49/495497849.db2.gz BISZOFXGQYYJPP-NRFANRHFSA-N 2 0 357.542 3.196 20 0 FGADRP Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+]C[C@@H](C)CN1CC[NH+](C)CC1 ZINC000121001682 495500995 /nfs/dbraw/zinc/50/09/95/495500995.db2.gz PTMBQKGASDYVJL-CABCVRRESA-N 2 0 352.592 3.283 20 0 FGADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H](C)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000131293102 495517946 /nfs/dbraw/zinc/51/79/46/495517946.db2.gz CLUOVXUXRHWVSX-LSDHHAIUSA-N 2 0 358.523 3.390 20 0 FGADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H](C)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000131292667 495518086 /nfs/dbraw/zinc/51/80/86/495518086.db2.gz CLUOVXUXRHWVSX-GJZGRUSLSA-N 2 0 358.523 3.390 20 0 FGADRP CCC[NH+]1CCC(NC(=O)NC[C@H](c2ccccc2)[NH+](CC)CC)CC1 ZINC000107326791 495525250 /nfs/dbraw/zinc/52/52/50/495525250.db2.gz BVZSEWZHOAPHGR-HXUWFJFHSA-N 2 0 360.546 3.243 20 0 FGADRP C[C@@H](NC(=O)NCc1ccc(C[NH+](C)C)cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182374067 495537159 /nfs/dbraw/zinc/53/71/59/495537159.db2.gz MHUNPQIFYCLXTF-YLJYHZDGSA-N 2 0 372.557 3.200 20 0 FGADRP C[C@H](c1ccccc1Cl)N1CCN(C(=O)c2ccccc2CC[NH3+])CC1 ZINC000577764505 505788025 /nfs/dbraw/zinc/78/80/25/505788025.db2.gz IYKSXCTWQRJFJJ-MRXNPFEDSA-N 2 0 371.912 3.360 20 0 FGADRP CC(C)C[NH+]1CCC(NC(=O)N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)CC1 ZINC000182386795 495542669 /nfs/dbraw/zinc/54/26/69/495542669.db2.gz MYJLECYPVWXJJG-ZWKOTPCHSA-N 2 0 364.578 3.059 20 0 FGADRP C[NH+]1CCC(CCNC(=O)NC(C)(C)CC[NH+]2CCCCCC2)CC1 ZINC000185365938 495550497 /nfs/dbraw/zinc/55/04/97/495550497.db2.gz QWYQKNAXAMQKLY-UHFFFAOYSA-N 2 0 352.567 3.062 20 0 FGADRP C[N@H+](C[C@H](O)CCc1ccccc1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000182426329 495560202 /nfs/dbraw/zinc/56/02/02/495560202.db2.gz BBQSCWIRYJGDOM-DHIUTWEWSA-N 2 0 352.522 3.434 20 0 FGADRP CCC[NH+]1CCC([N@H+](C)C[C@H](O)COc2cc(C)ccc2Cl)CC1 ZINC000182438482 495563798 /nfs/dbraw/zinc/56/37/98/495563798.db2.gz QYYZEJZEBNQVJH-KRWDZBQOSA-N 2 0 354.922 3.194 20 0 FGADRP CC[C@H](C)[N@H+](C)CCNC(=O)N(C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000158715308 495574968 /nfs/dbraw/zinc/57/49/68/495574968.db2.gz WQEBATIQTAYKMR-QKNQBKEWSA-N 2 0 374.573 3.411 20 0 FGADRP C[C@H](C[NH+]1CCCCCC1)NC(=O)c1oc2ccccc2c1C[NH+](C)C ZINC000185438056 495577365 /nfs/dbraw/zinc/57/73/65/495577365.db2.gz GNLFJJZGZUPSDD-MRXNPFEDSA-N 2 0 357.498 3.489 20 0 FGADRP c1cc(C[N@@H+]2CCOC3(CCC3)C2)ccc1C[NH+]1CCOC2(CCC2)C1 ZINC000154329031 495583456 /nfs/dbraw/zinc/58/34/56/495583456.db2.gz ZCIVLFDOWAHLNM-UHFFFAOYSA-N 2 0 356.510 3.196 20 0 FGADRP CC[NH+](CC)Cc1cccc(NC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)c1 ZINC000154380921 495598641 /nfs/dbraw/zinc/59/86/41/495598641.db2.gz RSWMDZVOUISXQS-HXUWFJFHSA-N 2 0 359.514 3.110 20 0 FGADRP CCOC[C@@H]1CC[NH+](Cc2ccc(C[N@H+]3CC[C@H](COCC)C3)cc2)C1 ZINC000176322354 495600377 /nfs/dbraw/zinc/60/03/77/495600377.db2.gz WFIDJMZUADDSGT-SZPZYZBQSA-N 2 0 360.542 3.403 20 0 FGADRP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](CC2CCC(C(F)(F)F)CC2)CC1 ZINC000185510349 495605217 /nfs/dbraw/zinc/60/52/17/495605217.db2.gz WOGPOYHCHKLVOF-ABHNRTSZSA-N 2 0 361.496 3.457 20 0 FGADRP CC(C)[NH+](CCN(C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(C)C ZINC000150175919 495607481 /nfs/dbraw/zinc/60/74/81/495607481.db2.gz SCODUEDVHVPFSO-HXUWFJFHSA-N 2 0 360.546 3.021 20 0 FGADRP C[C@H]([NH2+]CCCC[NH+]1CCN(C)CC1)c1nc(-c2ccccc2)cs1 ZINC000154429010 495614101 /nfs/dbraw/zinc/61/41/01/495614101.db2.gz ZASLKYHBMBNGTM-KRWDZBQOSA-N 2 0 358.555 3.488 20 0 FGADRP CN1CC[NH+](CCCC[NH2+][C@H]2CCc3ccc(OC(F)(F)F)cc32)CC1 ZINC000154442245 495617344 /nfs/dbraw/zinc/61/73/44/495617344.db2.gz JTRMYZTYNVVWKL-SFHVURJKSA-N 2 0 371.447 3.190 20 0 FGADRP CCCC[NH+]1CCC(NC(=O)N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)CC1 ZINC000182576999 495622342 /nfs/dbraw/zinc/62/23/42/495622342.db2.gz GRZBQRBRWACTDA-QZTJIDSGSA-N 2 0 364.578 3.203 20 0 FGADRP Cc1cccc(C[C@H](CO)[NH2+][C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000580602550 505794171 /nfs/dbraw/zinc/79/41/71/505794171.db2.gz JYPNHYJLZHBADH-AJSBUHFISA-N 2 0 352.522 3.399 20 0 FGADRP CCOC(=O)CC1CC[NH+](Cc2ccc(OCC[NH+]3CCCC3)cc2)CC1 ZINC000159105872 495660608 /nfs/dbraw/zinc/66/06/08/495660608.db2.gz CNXHHLJGEMONCF-UHFFFAOYSA-N 2 0 374.525 3.326 20 0 FGADRP Cc1ccc2c(c1)OCCC[C@H]2[NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000159142694 495669034 /nfs/dbraw/zinc/66/90/34/495669034.db2.gz WPNIAZPRFRANQJ-HXUWFJFHSA-N 2 0 366.509 3.145 20 0 FGADRP C[NH+](C)Cc1ccc(CNC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)cc1F ZINC000154648215 495683375 /nfs/dbraw/zinc/68/33/75/495683375.db2.gz DXKBMPQJKTYALM-GOSISDBHSA-N 2 0 361.505 3.158 20 0 FGADRP Cc1cc([C@H](C)[NH2+]Cc2ccnc(N3CC[NH+](C)CC3)c2)cc(C)c1F ZINC000159213272 495685118 /nfs/dbraw/zinc/68/51/18/495685118.db2.gz HPZLPLVGOMHXLA-KRWDZBQOSA-N 2 0 356.489 3.440 20 0 FGADRP CC[C@@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1cc(Cl)ccc1OC ZINC000150955577 495693366 /nfs/dbraw/zinc/69/33/66/495693366.db2.gz KXBQJJXPQRZVRK-GOSISDBHSA-N 2 0 353.938 3.415 20 0 FGADRP C[C@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1ccc(F)cc1Br ZINC000150963608 495695368 /nfs/dbraw/zinc/69/53/68/495695368.db2.gz AODMLYNMHQBULM-ZDUSSCGKSA-N 2 0 372.326 3.265 20 0 FGADRP Cc1ccc([C@H](CNC(=O)N2CC[C@@H]([NH+]3CCCC3)C2)[NH+]2CCCC2)cc1 ZINC000171056932 495705287 /nfs/dbraw/zinc/70/52/87/495705287.db2.gz GNFPLPWANKVZOG-RTWAWAEBSA-N 2 0 370.541 3.012 20 0 FGADRP CCC[C@H]([NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1)c1ccccn1 ZINC000159323103 495708708 /nfs/dbraw/zinc/70/87/08/495708708.db2.gz ZPZMKGPLIVCXOG-SFHVURJKSA-N 2 0 360.546 3.139 20 0 FGADRP C[C@@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1cccc(-c2ccncc2)c1 ZINC000151003616 495709060 /nfs/dbraw/zinc/70/90/60/495709060.db2.gz GBGOURIPATZNGG-GOSISDBHSA-N 2 0 352.526 3.425 20 0 FGADRP C[C@H]([NH2+]C[C@H](O)COc1cccc2[nH]ccc21)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185751380 495709634 /nfs/dbraw/zinc/70/96/34/495709634.db2.gz PWGWUPIOVBYTFS-SCTDSRPQSA-N 2 0 371.525 3.150 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc2ccn(C)c2c1 ZINC000173834566 495712779 /nfs/dbraw/zinc/71/27/79/495712779.db2.gz ZZJZIQLQOBSBGT-IBGZPJMESA-N 2 0 371.529 3.058 20 0 FGADRP CN(CCC[NH+](C)C)C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000185791120 495726714 /nfs/dbraw/zinc/72/67/14/495726714.db2.gz MVPWMUCDSPYEKV-UHFFFAOYSA-N 2 0 360.546 3.156 20 0 FGADRP CC[C@H]1CN(C(=O)NCCC2CC[NH+](C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000185796018 495729470 /nfs/dbraw/zinc/72/94/70/495729470.db2.gz NFDNKYFSNWTPQB-NRFANRHFSA-N 2 0 372.557 3.024 20 0 FGADRP CN(c1ccccc1CN[C@@H]1CCC[C@H]([NH+](C)C)C1)C1CC[NH+](C)CC1 ZINC000151084641 495732454 /nfs/dbraw/zinc/73/24/54/495732454.db2.gz GOJDWNWFYWSRNT-CTNGQTDRSA-N 2 0 358.574 3.179 20 0 FGADRP COc1c(Cl)cc(Cl)cc1C[NH2+][C@H](C)CCN1CC[NH+](C)CC1 ZINC000185865815 495755658 /nfs/dbraw/zinc/75/56/58/495755658.db2.gz WHBABNYRAPOFEI-CYBMUJFWSA-N 2 0 360.329 3.118 20 0 FGADRP C[N@H+](CC[C@@H]1CCCC[NH+]1C)C[C@H](O)CO[C@@H]1CCCc2ccccc21 ZINC000173949709 495759335 /nfs/dbraw/zinc/75/93/35/495759335.db2.gz MIAHSNWPUBODDR-JAXLGGSGSA-N 2 0 360.542 3.248 20 0 FGADRP C[NH+]1CCN(CCC(C)(C)[NH2+]Cc2cc(Br)ccc2F)CC1 ZINC000185894444 495769812 /nfs/dbraw/zinc/76/98/12/495769812.db2.gz BMEKZRHZCHFLLA-UHFFFAOYSA-N 2 0 372.326 3.094 20 0 FGADRP C[NH2+][C@H](CC(C)(C)C)C(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000577846771 505803488 /nfs/dbraw/zinc/80/34/88/505803488.db2.gz ZIBWPFOJGITETD-INMHGKMJSA-N 2 0 351.560 3.271 20 0 FGADRP CCS(=O)(=O)C[C@H](C)NCC1([NH2+][C@@H](C)c2ccccc2)CCCC1 ZINC000183001676 495792723 /nfs/dbraw/zinc/79/27/23/495792723.db2.gz JDENJDFXZFCWQM-IRXDYDNUSA-N 2 0 352.544 3.063 20 0 FGADRP C[C@@H]1CCCC[C@H]1C[NH+]1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000183015223 495798914 /nfs/dbraw/zinc/79/89/14/495798914.db2.gz XHJDSQWXMGUHKO-MJGOQNOKSA-N 2 0 351.579 3.229 20 0 FGADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H](C)C(c1ccccc1)c1ccccc1 ZINC000155048099 495816793 /nfs/dbraw/zinc/81/67/93/495816793.db2.gz GMADOEBROLTMPQ-WOJBJXKFSA-N 2 0 351.538 3.433 20 0 FGADRP CCOc1ccc([C@H](CC)[NH2+][C@@H](C)CN2CC[NH+](C)CC2)cc1OCC ZINC000155102659 495836233 /nfs/dbraw/zinc/83/62/33/495836233.db2.gz AACDTZUKPXDLJK-HKUYNNGSSA-N 2 0 363.546 3.161 20 0 FGADRP C[C@H]([NH2+]Cc1cccnc1-n1ccnc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000151476443 495852010 /nfs/dbraw/zinc/85/20/10/495852010.db2.gz NDFYHQFLEPWPOD-KRWDZBQOSA-N 2 0 365.481 3.059 20 0 FGADRP OC1(C[NH2+][C@@H]2CCN(Cc3ccccc3)C3(CC3)C2)Cc2ccccc2C1 ZINC000577869159 505809241 /nfs/dbraw/zinc/80/92/41/505809241.db2.gz YAKXNWOXZAOLOI-JOCHJYFZSA-N 2 0 362.517 3.303 20 0 FGADRP Cn1ccnc1[C@@H]([NH2+]CCCC[NH+]1CCN(c2ccccc2)CC1)C1CC1 ZINC000183306432 495923561 /nfs/dbraw/zinc/92/35/61/495923561.db2.gz SBPNLCPZGYVRRT-NRFANRHFSA-N 2 0 367.541 3.063 20 0 FGADRP C[C@@H]1C[NH+](CCCC[NH2+][C@H](c2cnn(C)c2)c2cccc(F)c2)C[C@@H](C)O1 ZINC000180312493 495946346 /nfs/dbraw/zinc/94/63/46/495946346.db2.gz WAPVYFFJQALLOD-LZJOCLMNSA-N 2 0 374.504 3.128 20 0 FGADRP CC[C@@H]([NH2+]CC1CC[NH+](CCO)CC1)c1cccc(Br)c1 ZINC000151870169 495976216 /nfs/dbraw/zinc/97/62/16/495976216.db2.gz KNBVSWMNJIXXIH-QGZVFWFLSA-N 2 0 355.320 3.194 20 0 FGADRP C[C@@H](C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cc1)[NH+]1CCCCCC1 ZINC000180421016 495990133 /nfs/dbraw/zinc/99/01/33/495990133.db2.gz QSPRTAOFCMYQIU-SFHVURJKSA-N 2 0 372.557 3.420 20 0 FGADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H](C)c2cc(C)ccc2OC(F)F)CC1 ZINC000155581254 496001860 /nfs/dbraw/zinc/00/18/60/496001860.db2.gz CLVOWCZRANWIAB-HOTGVXAUSA-N 2 0 355.473 3.273 20 0 FGADRP Cc1nn(C)c(C)c1CCC[NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000183483219 496004681 /nfs/dbraw/zinc/00/46/81/496004681.db2.gz MXRDCRYYBARXLM-INIZCTEOSA-N 2 0 358.530 3.261 20 0 FGADRP Cc1nn(C)cc1[C@@H](C)[NH2+]CCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000183498834 496010852 /nfs/dbraw/zinc/01/08/52/496010852.db2.gz UFTZMDXAVZUVQM-QGZVFWFLSA-N 2 0 356.514 3.096 20 0 FGADRP C[C@@H]1C[N@@H+](CC2CC[NH+](CCc3ccc(F)c(F)c3)CC2)C[C@H](C)O1 ZINC000152022517 496025124 /nfs/dbraw/zinc/02/51/24/496025124.db2.gz UYLVNXBWKHSJKS-IYBDPMFKSA-N 2 0 352.469 3.329 20 0 FGADRP C[C@@H](CCc1ccccc1)[NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000177353416 496029139 /nfs/dbraw/zinc/02/91/39/496029139.db2.gz XYFNTJATWJXLPE-SFHVURJKSA-N 2 0 353.510 3.089 20 0 FGADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H](C)c2ccc(SC)c(OC)c2)CC1 ZINC000155697533 496039462 /nfs/dbraw/zinc/03/94/62/496039462.db2.gz MEFGJNAADCUKAN-JKSUJKDBSA-N 2 0 351.560 3.094 20 0 FGADRP CC1CC[NH+](Cc2cccc(CNC(=O)c3ccccc3CC[NH3+])c2)CC1 ZINC000571815065 505819835 /nfs/dbraw/zinc/81/98/35/505819835.db2.gz SJOSXZIAMUKLFE-UHFFFAOYSA-N 2 0 365.521 3.350 20 0 FGADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000186567817 496048741 /nfs/dbraw/zinc/04/87/41/496048741.db2.gz CUNBUVMDPAFWEQ-CABCVRRESA-N 2 0 359.436 3.262 20 0 FGADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H](C)c2ccc(OC(F)(F)F)cc2)CC1 ZINC000155745677 496055052 /nfs/dbraw/zinc/05/50/52/496055052.db2.gz PFYZGOOBIUJSOB-GJZGRUSLSA-N 2 0 359.436 3.262 20 0 FGADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H](C)c2cccc(OC(F)(F)F)c2)CC1 ZINC000155745004 496055653 /nfs/dbraw/zinc/05/56/53/496055653.db2.gz WJGFHQOCYRCFIU-LSDHHAIUSA-N 2 0 359.436 3.262 20 0 FGADRP C[C@@H](CCc1ccc(OC(F)F)cc1)[NH2+][C@@H](C)CCN1CC[NH+](C)CC1 ZINC000186592424 496062222 /nfs/dbraw/zinc/06/22/22/496062222.db2.gz RYUSRUFKYGEHFQ-IRXDYDNUSA-N 2 0 369.500 3.225 20 0 FGADRP C[C@H]1C[NH+](CCC2CC[NH+](CCCOCC(F)(F)F)CC2)C[C@H](C)O1 ZINC000177484531 496080976 /nfs/dbraw/zinc/08/09/76/496080976.db2.gz HODXWCPDTWYFAU-HOTGVXAUSA-N 2 0 366.468 3.167 20 0 FGADRP Cc1nc(C)c(C[NH+]2CCC(CC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)s1 ZINC000177490776 496083333 /nfs/dbraw/zinc/08/33/33/496083333.db2.gz OYWUUPYWJOUEDG-GJZGRUSLSA-N 2 0 351.560 3.471 20 0 FGADRP C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000152365723 496128316 /nfs/dbraw/zinc/12/83/16/496128316.db2.gz VXUSMXZXWAEDBQ-NVXWUHKLSA-N 2 0 363.933 3.151 20 0 FGADRP C[NH+](C)Cc1cccc(C(=O)NCC2CC[NH+](Cc3cccs3)CC2)c1 ZINC000156026342 496136910 /nfs/dbraw/zinc/13/69/10/496136910.db2.gz MGWLEOZJZLXQEF-UHFFFAOYSA-N 2 0 371.550 3.452 20 0 FGADRP C[NH+](C)[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)c1ccc(F)cc1 ZINC000177684264 496159248 /nfs/dbraw/zinc/15/92/48/496159248.db2.gz SIVQNMMYAXQKNB-XLIONFOSSA-N 2 0 361.505 3.199 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)c1ccco1 ZINC000177699673 496163416 /nfs/dbraw/zinc/16/34/16/496163416.db2.gz LDYJNBQKFQEBPW-MJGOQNOKSA-N 2 0 361.530 3.433 20 0 FGADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)NC2CC[NH+]([C@@H](C)c3ccccc3)CC2)C1 ZINC000177878717 496235383 /nfs/dbraw/zinc/23/53/83/496235383.db2.gz LTDOROZUKUZTET-OALUTQOASA-N 2 0 372.557 3.195 20 0 FGADRP C[NH+](C)Cc1c2ccccc2oc1C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000175216533 496295393 /nfs/dbraw/zinc/29/53/93/496295393.db2.gz HKIQASVXCZZWLW-UHFFFAOYSA-N 2 0 365.477 3.486 20 0 FGADRP COc1ccc2c(c1)[C@H]([NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1)CCCO2 ZINC000178034100 496296336 /nfs/dbraw/zinc/29/63/36/496296336.db2.gz ARXQLAJSRRDHOK-MBOZVWFJSA-N 2 0 362.514 3.388 20 0 FGADRP C[C@@H]1C[C@@H]([NH2+]CCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CN1Cc1ccccc1 ZINC000178034908 496297624 /nfs/dbraw/zinc/29/76/24/496297624.db2.gz QBSRLDBTBSABAD-XWSHUIEDSA-N 2 0 359.558 3.128 20 0 FGADRP Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000152962380 496309592 /nfs/dbraw/zinc/30/95/92/496309592.db2.gz WILMYYXUDLTILA-XLIONFOSSA-N 2 0 350.510 3.480 20 0 FGADRP CCC[NH+]1CCN(c2ccccc2C[NH2+][C@H]2CCO[C@@H](C3CC3)C2)CC1 ZINC000156849309 496347773 /nfs/dbraw/zinc/34/77/73/496347773.db2.gz UZNIANJRZBINJG-RBBKRZOGSA-N 2 0 357.542 3.266 20 0 FGADRP COc1cccc(C[C@@H]([NH2+]CCCN2CC[NH+](C)CC2)c2ccccc2)c1 ZINC000162501238 496363383 /nfs/dbraw/zinc/36/33/83/496363383.db2.gz WAOUIVIROMDPFH-HSZRJFAPSA-N 2 0 367.537 3.206 20 0 FGADRP C[C@@H]([NH3+])c1ccc(NC(=O)CCC[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000178200319 496367396 /nfs/dbraw/zinc/36/73/96/496367396.db2.gz BDNAZHLJYWMLCJ-GOSISDBHSA-N 2 0 366.509 3.247 20 0 FGADRP C[C@H]([NH2+]Cc1ccc2c(c1)OCCO2)c1cccc(OCC[NH+](C)C)c1 ZINC000178209345 496371138 /nfs/dbraw/zinc/37/11/38/496371138.db2.gz GBMLZBKRHWPFLC-INIZCTEOSA-N 2 0 356.466 3.249 20 0 FGADRP C[C@@H]1C[C@@H]([NH2+]CCCN2CC[NH+](C)CC2)c2cccc(Br)c21 ZINC000162546534 496371769 /nfs/dbraw/zinc/37/17/69/496371769.db2.gz BHGOQRYECFXLAP-RHSMWYFYSA-N 2 0 366.347 3.225 20 0 FGADRP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)C1 ZINC000157096030 496404891 /nfs/dbraw/zinc/40/48/91/496404891.db2.gz FKZXHXGLOMWFIP-FPOVZHCZSA-N 2 0 372.557 3.101 20 0 FGADRP C[C@@H](CC(=O)Nc1cccnc1Cl)[NH2+]CC[C@H](C)[NH+]1CCCCC1 ZINC000184508876 496417354 /nfs/dbraw/zinc/41/73/54/496417354.db2.gz FLCIECBTSZTYKH-GJZGRUSLSA-N 2 0 352.910 3.306 20 0 FGADRP Cc1nc(C)c([C@H](C)[NH2+]CCN2CC[NH+](Cc3ccccc3)CC2)s1 ZINC000178339279 496419234 /nfs/dbraw/zinc/41/92/34/496419234.db2.gz CSQDTXMLWIBAQQ-INIZCTEOSA-N 2 0 358.555 3.228 20 0 FGADRP CCC[N@@H+]1CC[C@H](CNC(=O)N(CC)[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000157261630 496440644 /nfs/dbraw/zinc/44/06/44/496440644.db2.gz DPWAURXDFKGFAI-NHCUHLMSSA-N 2 0 372.557 3.024 20 0 FGADRP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)NC2CC[NH+](C3CCCC3)CC2)C1 ZINC000175607354 496461879 /nfs/dbraw/zinc/46/18/79/496461879.db2.gz WJVFJOCDFVIKAG-QZTJIDSGSA-N 2 0 364.578 3.061 20 0 FGADRP CC[C@@]1(CO)CCC[NH+](CCCCC[N@H+]2CCC[C@@](CC)(CO)C2)C1 ZINC000187547608 496485279 /nfs/dbraw/zinc/48/52/79/496485279.db2.gz HOMAUEJSXMHTON-NHCUHLMSSA-N 2 0 354.579 3.126 20 0 FGADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)CC(=O)N(C)Cc2ccccc2Cl)C1 ZINC000163282278 496492812 /nfs/dbraw/zinc/49/28/12/496492812.db2.gz OKLGWEJNJRVBAI-JKSUJKDBSA-N 2 0 351.922 3.008 20 0 FGADRP CC(C)CC(=O)N1CCC([NH2+]C2CCN(CCc3ccccc3)CC2)CC1 ZINC000163425271 496514447 /nfs/dbraw/zinc/51/44/47/496514447.db2.gz WKISHLDMONYZMX-UHFFFAOYSA-N 2 0 371.569 3.320 20 0 FGADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H]2CCCSc3ccc(OC)cc32)CC1 ZINC000187770657 496565201 /nfs/dbraw/zinc/56/52/01/496565201.db2.gz YLSASIPPLAKKQR-LPHOPBHVSA-N 2 0 363.571 3.238 20 0 FGADRP Cc1nccnc1[C@H](C)[NH2+]CCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000187847138 496593851 /nfs/dbraw/zinc/59/38/51/496593851.db2.gz AATCBTQHVIAVSK-SFHVURJKSA-N 2 0 353.514 3.038 20 0 FGADRP Ic1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000157968632 496597651 /nfs/dbraw/zinc/59/76/51/496597651.db2.gz PGHBKWKTWZKLEP-HUUCEWRRSA-N 2 0 356.251 3.008 20 0 FGADRP C[NH+](C)CCCOc1cnccc1C[NH2+]Cc1cc(F)cc2cccnc21 ZINC000571954583 505854903 /nfs/dbraw/zinc/85/49/03/505854903.db2.gz HCPHFDSZPIFLIV-UHFFFAOYSA-N 2 0 368.456 3.389 20 0 FGADRP COC[C@@H]([NH2+]Cc1cccc(C[NH+]2CCC(C)CC2)c1)C1CCOCC1 ZINC000187965505 496633939 /nfs/dbraw/zinc/63/39/39/496633939.db2.gz OURMVZUYGIHXMV-JOCHJYFZSA-N 2 0 360.542 3.450 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)CC3CC[NH2+]CC3)cc2)C1 ZINC000164839755 496634827 /nfs/dbraw/zinc/63/48/27/496634827.db2.gz CZWWQEDUWMFKAD-HDICACEKSA-N 2 0 357.542 3.170 20 0 FGADRP C[C@H](NC(=O)NCC1(C[NH+](C)C)CCCC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185060858 496641613 /nfs/dbraw/zinc/64/16/13/496641613.db2.gz JBFLBCNSIIQXQP-ROUUACIJSA-N 2 0 364.578 3.061 20 0 FGADRP CC(C)(C)CC[NH+]1CCN(C(=O)NC2CC[NH+](C3CCCC3)CC2)CC1 ZINC000176029183 496649955 /nfs/dbraw/zinc/64/99/55/496649955.db2.gz RHVAPNDDFPWJFF-UHFFFAOYSA-N 2 0 364.578 3.157 20 0 FGADRP C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000158236838 496657353 /nfs/dbraw/zinc/65/73/53/496657353.db2.gz OWCMPOMMEAVNPY-KGLIPLIRSA-N 2 0 373.419 3.234 20 0 FGADRP C[C@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)c1cccc(Br)c1 ZINC000173387871 496669799 /nfs/dbraw/zinc/66/97/99/496669799.db2.gz QWRGLMNUFPHUMB-HNNXBMFYSA-N 2 0 368.363 3.373 20 0 FGADRP CC[NH+](CC)CCn1ccc2cc(NC(=O)[C@H]([NH3+])CCSC)ccc21 ZINC000166167480 496678113 /nfs/dbraw/zinc/67/81/13/496678113.db2.gz XHMQMDQRGOEVSW-QGZVFWFLSA-N 2 0 362.543 3.002 20 0 FGADRP CC[NH+](CC)[C@H]1CCN(C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)C1 ZINC000173415052 496682791 /nfs/dbraw/zinc/68/27/91/496682791.db2.gz YMWQKXTWOBPHPP-DLBZAZTESA-N 2 0 364.559 3.011 20 0 FGADRP C[C@H](CC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)C1CC[NH2+]CC1 ZINC000167546498 496702619 /nfs/dbraw/zinc/70/26/19/496702619.db2.gz BQUKQVOTBIUDBL-DBXWQHBBSA-N 2 0 357.542 3.182 20 0 FGADRP [NH3+][C@H]1CCO[C@@H](C2CC[NH+](CCCOc3ccc(Cl)cc3)CC2)C1 ZINC000580883939 505860687 /nfs/dbraw/zinc/86/06/87/505860687.db2.gz KPCDUIRUEOFKCF-PKOBYXMFSA-N 2 0 352.906 3.327 20 0 FGADRP C[C@@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)c1cc2c(s1)CCC2 ZINC000158486919 496712200 /nfs/dbraw/zinc/71/22/00/496712200.db2.gz UIAXYBVIEOVEMM-OAHLLOKOSA-N 2 0 356.539 3.234 20 0 FGADRP CC[NH+](CC)Cc1ccccc1CNC(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC000182254642 496720723 /nfs/dbraw/zinc/72/07/23/496720723.db2.gz HJUXFDIXFOCECR-NHCUHLMSSA-N 2 0 372.557 3.154 20 0 FGADRP CCC(CC)[C@H](CNC(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21)[NH+]1CCCC1 ZINC000182284826 496725796 /nfs/dbraw/zinc/72/57/96/496725796.db2.gz LNVFIKNLDIJZCF-UFYCRDLUSA-N 2 0 364.578 3.013 20 0 FGADRP C[C@@H]1CCCN(C(C)(C)C[NH2+][C@H]2CCN(Cc3ccccn3)C[C@@H]2C)C1 ZINC000246997329 496746969 /nfs/dbraw/zinc/74/69/69/496746969.db2.gz KNYQOTRMZBPFNF-DYXWJJEUSA-N 2 0 358.574 3.392 20 0 FGADRP CC(C)[NH+]1CCN(C2CC[NH+](CCCOCc3ccccc3)CC2)CC1 ZINC000273270751 496759716 /nfs/dbraw/zinc/75/97/16/496759716.db2.gz HNYNNWNLAXTBFY-UHFFFAOYSA-N 2 0 359.558 3.084 20 0 FGADRP C[C@H](C[NH2+][C@H](C)[C@H](C)c1nc2ccccc2s1)CN1CC[NH+](C)CC1 ZINC000247055124 496765372 /nfs/dbraw/zinc/76/53/72/496765372.db2.gz PECZFKSUVWIKOU-IXDOHACOSA-N 2 0 360.571 3.261 20 0 FGADRP C[C@H](C[NH2+][C@@H](C)[C@H](C)Oc1ccc(Cl)cc1Cl)N1CC[NH+](C)CC1 ZINC000247095461 496777272 /nfs/dbraw/zinc/77/72/72/496777272.db2.gz RYMIUEFFMZPPAJ-ILXRZTDVSA-N 2 0 374.356 3.375 20 0 FGADRP CC[C@H]([NH2+]CCCC[NH+]1C[C@H](C)O[C@@H](C)C1)c1ccc2c(c1)OCCO2 ZINC000247148651 496792936 /nfs/dbraw/zinc/79/29/36/496792936.db2.gz WUJUXJUFSNITIL-LNLFQRSKSA-N 2 0 362.514 3.388 20 0 FGADRP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(NC(=O)c3cccnc3)cc2)[C@@H](C)C1 ZINC000247183143 496800336 /nfs/dbraw/zinc/80/03/36/496800336.db2.gz ZIZFBDJKWKTNBY-JXFKEZNVSA-N 2 0 352.482 3.154 20 0 FGADRP CC(C)[NH+]1CCN(CCC[N@H+](CCCO)[C@@H]2CCCc3ccccc32)CC1 ZINC000191533630 496801221 /nfs/dbraw/zinc/80/12/21/496801221.db2.gz IXGZSPXXWJYGTR-HSZRJFAPSA-N 2 0 373.585 3.165 20 0 FGADRP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)c1ccc(Br)cc1 ZINC000247322957 496835661 /nfs/dbraw/zinc/83/56/61/496835661.db2.gz LNTNPLHDYMPVPY-PBHICJAKSA-N 2 0 355.320 3.337 20 0 FGADRP Cc1nc(-c2ccccc2F)sc1[C@H](C)[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000269003487 496845502 /nfs/dbraw/zinc/84/55/02/496845502.db2.gz PWBROGLBLIUSEH-ZDUSSCGKSA-N 2 0 363.502 3.365 20 0 FGADRP Cc1ccc(S(=O)(=O)[C@H]2CCCC[C@H]2[NH2+]CCCC[NH+](C)C)cc1 ZINC000273615834 496854103 /nfs/dbraw/zinc/85/41/03/496854103.db2.gz XJSUAHXKVNSTLW-MOPGFXCFSA-N 2 0 352.544 3.011 20 0 FGADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H](C)c1ccc(OCc2nccn2C)cc1 ZINC000269060781 496861584 /nfs/dbraw/zinc/86/15/84/496861584.db2.gz KBYDXFJOGDKYCH-FXAWDEMLSA-N 2 0 374.529 3.007 20 0 FGADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)N(C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000247473688 496867492 /nfs/dbraw/zinc/86/74/92/496867492.db2.gz SSOIBJAZDDPKAV-RTWAWAEBSA-N 2 0 372.557 3.024 20 0 FGADRP C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)c2c[nH+]ccc2N(C)C)CC1 ZINC000273730451 496887511 /nfs/dbraw/zinc/88/75/11/496887511.db2.gz QRNVCOIWZHEACY-KRWDZBQOSA-N 2 0 358.530 3.264 20 0 FGADRP CC[NH+]1CCN(c2ccccc2NC(=O)[C@H](C)[C@H]([NH3+])c2ccccc2)CC1 ZINC000269245972 496903254 /nfs/dbraw/zinc/90/32/54/496903254.db2.gz DKKSRLHFLNBJQO-UTKZUKDTSA-N 2 0 366.509 3.103 20 0 FGADRP [NH3+]CCCn1ccc2cc(C(=O)N3CCC[N@@H+](C4CCCC4)CC3)ccc21 ZINC000269245203 496903715 /nfs/dbraw/zinc/90/37/15/496903715.db2.gz LZNRLIFSYIPGGE-UHFFFAOYSA-N 2 0 368.525 3.081 20 0 FGADRP Cc1cccc(N2CCC([NH2+][C@H]3CN(Cc4ccccc4)C[C@H]3C)CC2)n1 ZINC000247944547 496930411 /nfs/dbraw/zinc/93/04/11/496930411.db2.gz DKOOSTOFZUYZBG-GCJKJVERSA-N 3 0 364.537 3.469 20 0 FGADRP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+][C@H]1CCCOc2c(Cl)cccc21 ZINC000247970507 496935674 /nfs/dbraw/zinc/93/56/74/496935674.db2.gz HGXZRJZXPYLKEG-YJBOKZPZSA-N 2 0 352.906 3.380 20 0 FGADRP C[N@@H+]1CCC[C@@H]2C[NH+](CCC(=O)Nc3cccc(C(F)(F)F)c3)CC[C@H]21 ZINC000247981483 496938781 /nfs/dbraw/zinc/93/87/81/496938781.db2.gz MUNZTAFGWCGYOS-RHSMWYFYSA-N 2 0 369.431 3.450 20 0 FGADRP C[N@@H+]1CC[C@H](NC(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)[C@H]1c1ccccc1 ZINC000248058408 496948837 /nfs/dbraw/zinc/94/88/37/496948837.db2.gz ORJBFWMSXFFIND-QHAWAJNXSA-N 2 0 370.541 3.092 20 0 FGADRP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)C1 ZINC000248134234 496959826 /nfs/dbraw/zinc/95/98/26/496959826.db2.gz ZUHKHAMFPNJSNU-SFHLNBCPSA-N 2 0 357.542 3.135 20 0 FGADRP COc1cccc(CCC[NH+]2CCN(C3CC[NH+](C(C)C)CC3)CC2)c1 ZINC000269656494 496984554 /nfs/dbraw/zinc/98/45/54/496984554.db2.gz NLPJRLIKCNYDIZ-UHFFFAOYSA-N 2 0 359.558 3.118 20 0 FGADRP Cc1nn(C)c(C)c1CC[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000248391527 496991438 /nfs/dbraw/zinc/99/14/38/496991438.db2.gz CKEXFZUTTFGBBO-MDNUFGMLSA-N 2 0 366.553 3.470 20 0 FGADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N[C@H](C)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000248397843 496994504 /nfs/dbraw/zinc/99/45/04/496994504.db2.gz IGLTUUGPVUMWHE-GUDVDZBRSA-N 2 0 364.578 3.203 20 0 FGADRP CC(=O)N1CCC(C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000248398651 496995432 /nfs/dbraw/zinc/99/54/32/496995432.db2.gz JBKLOUHWICZRSH-YTFSRNRJSA-N 2 0 369.553 3.135 20 0 FGADRP COc1cc([C@@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CC[C@@H](O)C2)ccc1F ZINC000248447713 497015063 /nfs/dbraw/zinc/01/50/63/497015063.db2.gz NOSQITMXGSLBEC-DNVCBOLYSA-N 2 0 358.457 3.252 20 0 FGADRP COC(=O)c1ccc(-c2nc(CN3CC[C@@H]4[C@@H](CCC[N@@H+]4C)C3)co2)cc1 ZINC000248453630 497016893 /nfs/dbraw/zinc/01/68/93/497016893.db2.gz ZDAVZWUWWVOFFO-PKOBYXMFSA-N 2 0 369.465 3.044 20 0 FGADRP CC(C)(C)C(=O)N1CCC(C[N@@H+]2CC[C@H]3[C@@H](CCCN3C3CC3)C2)CC1 ZINC000248563302 497041274 /nfs/dbraw/zinc/04/12/74/497041274.db2.gz NUXKTRBALRCMTD-ICSRJNTNSA-N 2 0 361.574 3.220 20 0 FGADRP C[NH+]1CCC([C@@H]2CCN(C(=O)c3ccc(C[NH+]4CCCC4)cc3)C2)CC1 ZINC000270042402 497045857 /nfs/dbraw/zinc/04/58/57/497045857.db2.gz ATAMBLYGQJCSHB-OAQYLSRUSA-N 2 0 355.526 3.086 20 0 FGADRP C[C@@H](CCN1C(=O)c2ccccc2C1=O)[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000274395457 497087662 /nfs/dbraw/zinc/08/76/62/497087662.db2.gz FCARUVNWEXKLQL-INIZCTEOSA-N 2 0 369.509 3.058 20 0 FGADRP OCC[C@H]([NH2+]CCCCCC[NH2+][C@@H](CCO)c1ccco1)c1ccco1 ZINC000274417383 497092892 /nfs/dbraw/zinc/09/28/92/497092892.db2.gz NKKVYVIBCKRFGB-ROUUACIJSA-N 2 0 364.486 3.159 20 0 FGADRP Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@H]1N2C(=O)C1CC[NH+](C2CC2)CC1 ZINC000278390123 497098465 /nfs/dbraw/zinc/09/84/65/497098465.db2.gz ITUBEMIFWIHMPM-TZIWHRDSSA-N 2 0 353.510 3.004 20 0 FGADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)[C@H]1[NH2+]CCc2ccccc21 ZINC000236656362 497128749 /nfs/dbraw/zinc/12/87/49/497128749.db2.gz JVHHXNAUPSUKOE-NRFANRHFSA-N 2 0 351.494 3.030 20 0 FGADRP CCC[NH+]1CCN(c2ccccc2CNC[C@H](CC)[NH+]2CCCC2)CC1 ZINC000236801523 497147601 /nfs/dbraw/zinc/14/76/01/497147601.db2.gz MHMGUHCXOBNVBH-NRFANRHFSA-N 2 0 358.574 3.183 20 0 FGADRP C[C@@H]1CN(CCC[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C[C@@H](C)O1 ZINC000249044468 497153885 /nfs/dbraw/zinc/15/38/85/497153885.db2.gz VSGAQPBJBAJZIP-MRWXXAKJSA-N 2 0 371.569 3.271 20 0 FGADRP C[C@H]([NH2+]CCc1cn2c(n1)SCC2)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274763066 497159733 /nfs/dbraw/zinc/15/97/33/497159733.db2.gz KQRDDBCHZZVSJI-FUHWJXTLSA-N 2 0 356.539 3.032 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)C[C@@H](C)[C@@H]1CCC[NH2+]C1)c1ccsc1 ZINC000236877079 497161201 /nfs/dbraw/zinc/16/12/01/497161201.db2.gz BYGPTSFLFZTTDP-JFIYKMOQSA-N 2 0 351.560 3.273 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H](O)COCc1cccs1 ZINC000274786506 497165618 /nfs/dbraw/zinc/16/56/18/497165618.db2.gz AYNSXZVIMHZJKB-LMNJBCLMSA-N 2 0 374.550 3.126 20 0 FGADRP C[NH+](C)CCCOc1ccc(C[NH2+]C2CCN(CC(F)(F)F)CC2)cc1 ZINC000237105364 497191349 /nfs/dbraw/zinc/19/13/49/497191349.db2.gz ZUGYRWDXKYLKGW-UHFFFAOYSA-N 2 0 373.463 3.133 20 0 FGADRP CC(C)Oc1cc(C[N@H+](CCCN2CC[NH+](C(C)C)CC2)C2CC2)ccn1 ZINC000192777352 497211603 /nfs/dbraw/zinc/21/16/03/497211603.db2.gz YHRKRJAYQUGOFV-UHFFFAOYSA-N 2 0 374.573 3.249 20 0 FGADRP C[C@@H](CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000237396011 497230795 /nfs/dbraw/zinc/23/07/95/497230795.db2.gz NOMLEAVQFRNQKY-PAMCTJKJSA-N 2 0 369.553 3.324 20 0 FGADRP c1ccc(C[N@H+]2CC[C@H](C[NH2+]C3CCN(Cc4ccncc4)CC3)C2)cc1 ZINC000192926881 497249037 /nfs/dbraw/zinc/24/90/37/497249037.db2.gz YLUQSTKJLNDUCM-JOCHJYFZSA-N 2 0 364.537 3.158 20 0 FGADRP CC[NH+](CC)[C@H](C(=O)NCC1CC[NH2+]CC1)c1cccc(C(F)(F)F)c1 ZINC000572117919 505894164 /nfs/dbraw/zinc/89/41/64/505894164.db2.gz NYAUZAADQVLZHF-KRWDZBQOSA-N 2 0 371.447 3.204 20 0 FGADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)c2ccc(C[NH3+])cc2)cc1 ZINC000237524836 497249588 /nfs/dbraw/zinc/24/95/88/497249588.db2.gz URXZFZLCYLCEEJ-KRWDZBQOSA-N 2 0 351.494 3.450 20 0 FGADRP COCCOc1cccc(C[NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000192932221 497250541 /nfs/dbraw/zinc/25/05/41/497250541.db2.gz LDIQEAWSIGJTJY-OAQYLSRUSA-N 2 0 354.494 3.324 20 0 FGADRP C[C@@H]1C[C@H](NC(=O)CC[C@@H]([NH3+])c2ccccc2)C[N@@H+]1Cc1ccccc1 ZINC000237587658 497259598 /nfs/dbraw/zinc/25/95/98/497259598.db2.gz LSSNWVPQLIDJLZ-JRGCBEDISA-N 2 0 351.494 3.246 20 0 FGADRP C[C@@H](C(=O)N1CCC[N@H+](Cc2ccccc2)CC1)[C@@H]([NH3+])c1ccccc1 ZINC000237588791 497259666 /nfs/dbraw/zinc/25/96/66/497259666.db2.gz VANCCOSGKCMRJN-WIYYLYMNSA-N 2 0 351.494 3.057 20 0 FGADRP CN(C)c1ncc(C[NH2+]Cc2ccccc2C[N@H+](C)Cc2ccco2)cn1 ZINC000266121830 497261251 /nfs/dbraw/zinc/26/12/51/497261251.db2.gz ABNNQWUKISKBDN-UHFFFAOYSA-N 2 0 365.481 3.057 20 0 FGADRP Cc1ccc(OC[C@@H](O)CN2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)cc1 ZINC000250291333 497265014 /nfs/dbraw/zinc/26/50/14/497265014.db2.gz SQVCAGFEOFZCAY-SFTDATJTSA-N 2 0 360.542 3.179 20 0 FGADRP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[C@H]([NH3+])c1ccccc1 ZINC000237701741 497277794 /nfs/dbraw/zinc/27/77/94/497277794.db2.gz ANRVFWHFLAUPDT-UTKZUKDTSA-N 2 0 351.494 3.103 20 0 FGADRP [NH3+][C@H](CC(=O)NC1CCN(Cc2ccc(F)c(F)c2)CC1)c1ccccc1 ZINC000237847274 497301345 /nfs/dbraw/zinc/30/13/45/497301345.db2.gz ZHBDPKJHSXSBAL-HXUWFJFHSA-N 2 0 373.447 3.136 20 0 FGADRP c1csc(CC[NH+]2CCN([C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)c1 ZINC000271248421 497302470 /nfs/dbraw/zinc/30/24/70/497302470.db2.gz GVDQVPYGHYTBHQ-HXUWFJFHSA-N 2 0 355.551 3.183 20 0 FGADRP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1[NH2+]CCC(=O)NC1CCCC1 ZINC000189951113 497304273 /nfs/dbraw/zinc/30/42/73/497304273.db2.gz NPWWMEZTFYWNIN-ROUUACIJSA-N 2 0 357.542 3.182 20 0 FGADRP CC(C)[N@@H+]1[C@@H]2CC[C@H]1CN(C(=O)NCC(C)(C)[NH+]1CCC[C@H](C)C1)CC2 ZINC000252538675 497311642 /nfs/dbraw/zinc/31/16/42/497311642.db2.gz NEHBVUDIPJKVSO-OTWHNJEPSA-N 2 0 364.578 3.154 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H](N[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C)[C@H](C)C1 ZINC000252695970 497317811 /nfs/dbraw/zinc/31/78/11/497317811.db2.gz AZVFMPRMALJRAY-YXPKMTABSA-N 2 0 373.585 3.234 20 0 FGADRP CC(C)[N@@H+](C)C[C@H](C)NC(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000569298089 505899497 /nfs/dbraw/zinc/89/94/97/505899497.db2.gz RAIMPKQHXMERSG-ROUUACIJSA-N 2 0 360.546 3.240 20 0 FGADRP COC(=O)c1cccc(-c2nc(C[NH+]3CCC(CC[NH3+])CC3)cs2)c1 ZINC000574994730 505900478 /nfs/dbraw/zinc/90/04/78/505900478.db2.gz HRJHCJPQUPCCNC-UHFFFAOYSA-N 2 0 359.495 3.158 20 0 FGADRP Cc1ccc([C@@H](CCn2cncn2)[NH2+]C2CC[NH+](CC(C)C)CC2)cc1 ZINC000275577650 497370237 /nfs/dbraw/zinc/37/02/37/497370237.db2.gz BQYIPBNIKHZUKH-OAQYLSRUSA-N 2 0 355.530 3.428 20 0 FGADRP CC1(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)CC[NH+](Cc2ccccc2)CC1 ZINC000275607893 497380300 /nfs/dbraw/zinc/38/03/00/497380300.db2.gz FUZYLNJWLNMMBN-WOJBJXKFSA-N 2 0 355.526 3.032 20 0 FGADRP CCCC[N@H+](C)CC1CC[NH+](CC(=O)N(C)[C@H]2CCCC[C@H]2C)CC1 ZINC000255961339 497381787 /nfs/dbraw/zinc/38/17/87/497381787.db2.gz XNAXYLJFVZWENL-QUCCMNQESA-N 2 0 351.579 3.467 20 0 FGADRP C[C@@H](CCNC(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1)[NH+](C)Cc1ccccc1 ZINC000245428109 497400734 /nfs/dbraw/zinc/40/07/34/497400734.db2.gz IIXLNEVKIQAZAU-NLWGTHIKSA-N 2 0 360.546 3.021 20 0 FGADRP C[C@@]([NH3+])(C(=O)N1CCC[N@H+](CCCc2ccccc2)CC1)c1ccccc1 ZINC000581073397 505904570 /nfs/dbraw/zinc/90/45/70/505904570.db2.gz HKMWBZXBBCRYTB-QHCPKHFHSA-N 2 0 365.521 3.028 20 0 FGADRP CN(C(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CC[NH+](Cc2ccccc2)CC1 ZINC000261579760 497416198 /nfs/dbraw/zinc/41/61/98/497416198.db2.gz DWGUEVBIYXFDTL-IHWFROFDSA-N 2 0 355.526 3.030 20 0 FGADRP O=C(Nc1ccc2c(c1F)CC[NH2+]C2)[C@@H]1CCCN1Cc1ccccc1 ZINC000261634860 497423976 /nfs/dbraw/zinc/42/39/76/497423976.db2.gz BMMBHWVXADKXKX-IBGZPJMESA-N 2 0 353.441 3.075 20 0 FGADRP C[NH+](C)CCc1ccc(C(=O)N(CC[NH+](C)C)Cc2cccc(F)c2)cc1 ZINC000581080580 505906077 /nfs/dbraw/zinc/90/60/77/505906077.db2.gz RVCKAGONEWEZFC-UHFFFAOYSA-N 2 0 371.500 3.134 20 0 FGADRP C[C@@H](NC(=O)CC1(C[NH3+])CCCCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261651687 497427084 /nfs/dbraw/zinc/42/70/84/497427084.db2.gz YIVBCEOZVSIFDL-QUCCMNQESA-N 2 0 357.542 3.313 20 0 FGADRP C[NH+](Cc1ccc(C[N@@H+](C)[C@H]2CC[C@H](O)CC2)cc1)[C@H]1CC[C@H](O)CC1 ZINC000275787503 497431202 /nfs/dbraw/zinc/43/12/02/497431202.db2.gz CNDJFTTUYCBXMB-CHDDOINTSA-N 2 0 360.542 3.157 20 0 FGADRP Cc1cc(N2CCC([NH2+][C@H](C)[C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)n[nH]1 ZINC000275814956 497437779 /nfs/dbraw/zinc/43/77/79/497437779.db2.gz CZBTZUGGGYZAAZ-UYAOXDASSA-N 2 0 367.541 3.187 20 0 FGADRP CC[NH+](CC)[C@H](C(=O)N1CC[C@@](C)(C[NH3+])C1)c1cccc(C(F)(F)F)c1 ZINC000261723466 497439503 /nfs/dbraw/zinc/43/95/03/497439503.db2.gz CNIYLUNVBUTXKE-WMZOPIPTSA-N 2 0 371.447 3.286 20 0 FGADRP C[NH2+][C@H]1CCCN(C(=O)c2cccc(C[N@H+](C)Cc3ccccc3)c2)C1 ZINC000261722348 497439609 /nfs/dbraw/zinc/43/96/09/497439609.db2.gz LRUMVZIHVNHENW-NRFANRHFSA-N 2 0 351.494 3.143 20 0 FGADRP CN(c1ccccc1C[N@@H+]1CCC[C@@H](c2cc[nH]n2)C1)C1CC[NH+](C)CC1 ZINC000245540169 497445645 /nfs/dbraw/zinc/44/56/45/497445645.db2.gz LYOIUKIAOPGRPI-GOSISDBHSA-N 2 0 367.541 3.320 20 0 FGADRP CC[NH+](CC)[C@H](C(=O)N1C[C@H](C[NH3+])C[C@@H]1C)c1cccc(C(F)(F)F)c1 ZINC000261816486 497456929 /nfs/dbraw/zinc/45/69/29/497456929.db2.gz NCPKXCGQRCBQPW-ZQIUZPCESA-N 2 0 371.447 3.284 20 0 FGADRP C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]CC1=CC[N@H+](C)CC1 ZINC000271875089 497476875 /nfs/dbraw/zinc/47/68/75/497476875.db2.gz NYLYGDIWRCXBNY-CYBMUJFWSA-N 2 0 355.404 3.274 20 0 FGADRP C[C@@H](c1cccc(C(F)(F)F)c1)[N@H+](CCC(=O)N1CC[NH2+]CC1)C1CC1 ZINC000262048208 497498722 /nfs/dbraw/zinc/49/87/22/497498722.db2.gz IDALRFRHYVHBRC-AWEZNQCLSA-N 2 0 369.431 3.053 20 0 FGADRP C[C@]1(C[N@@H+]2CCC[C@H](Nc3cccc(Br)c3)C2)CC[NH2+]C1 ZINC000262080892 497505386 /nfs/dbraw/zinc/50/53/86/497505386.db2.gz TTZSGCKVBILMTH-IRXDYDNUSA-N 2 0 352.320 3.325 20 0 FGADRP c1ccc(Sc2ccc(C[N@@H+]3CC[C@H](N4CC[NH2+]CC4)C3)cc2)cc1 ZINC000262123449 497512450 /nfs/dbraw/zinc/51/24/50/497512450.db2.gz MMVIJPUXDWFDGN-IBGZPJMESA-N 2 0 353.535 3.317 20 0 FGADRP CC(C)(O)[C@@H]1CCC[NH+]1Cc1ccccc1C[N@H+]1CCC[C@H]1C(C)(C)O ZINC000245752721 497527883 /nfs/dbraw/zinc/52/78/83/497527883.db2.gz GYVFSSBGBALMIN-PMACEKPBSA-N 2 0 360.542 3.157 20 0 FGADRP c1ccc(CC[N@@H+]2CC[C@H](C[NH2+][C@@H]3[C@H]4CCO[C@H]4C34CCCC4)C2)cc1 ZINC000194022474 497550240 /nfs/dbraw/zinc/55/02/40/497550240.db2.gz XTSJLGMJHIWRGA-GXRSIYKFSA-N 2 0 354.538 3.488 20 0 FGADRP CCC[N@@H+]1CC[C@H](CNC(=O)N[C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000267441533 497552613 /nfs/dbraw/zinc/55/26/13/497552613.db2.gz CJMSDOZIBBWUJZ-TYPHKJRUSA-N 2 0 372.557 3.071 20 0 FGADRP C[C@@H]([NH2+]CCCN1CCC[N@H+](C)CC1)c1cc(Br)cs1 ZINC000194028745 497552783 /nfs/dbraw/zinc/55/27/83/497552783.db2.gz KJXZYMCZWLELIL-CYBMUJFWSA-N 2 0 360.365 3.189 20 0 FGADRP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)c1cc(Br)cs1 ZINC000194035843 497553574 /nfs/dbraw/zinc/55/35/74/497553574.db2.gz JPYDWCMIJOTVCO-TZMCWYRMSA-N 2 0 361.349 3.398 20 0 FGADRP C[NH+](C)[C@H](CNC(=O)C[N@@H+]1CCC[C@H]1c1cccs1)c1ccccc1 ZINC000245873712 497556321 /nfs/dbraw/zinc/55/63/21/497556321.db2.gz AGSGFORHWGVTLT-ZWKOTPCHSA-N 2 0 357.523 3.304 20 0 FGADRP C[C@H]([NH2+]Cc1ccc(S(C)(=O)=O)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272206560 497564456 /nfs/dbraw/zinc/56/44/56/497564456.db2.gz PLQPETLNVDZCHW-FXAWDEMLSA-N 2 0 372.534 3.090 20 0 FGADRP C[NH+](C)CCc1ccccc1NC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000276453239 497578341 /nfs/dbraw/zinc/57/83/41/497578341.db2.gz LXJFZBUIBZDMHA-SFTDATJTSA-N 2 0 366.509 3.358 20 0 FGADRP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000262629468 497587970 /nfs/dbraw/zinc/58/79/70/497587970.db2.gz DLWSUVZNWYFIJR-MBDNFAEBSA-N 2 0 369.553 3.278 20 0 FGADRP Cc1ccc([C@H]([NH3+])C(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1 ZINC000262677380 497598510 /nfs/dbraw/zinc/59/85/10/497598510.db2.gz UPVGXCHAWQRRSP-FQEVSTJZSA-N 2 0 371.912 3.429 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccsc1 ZINC000246128634 497631024 /nfs/dbraw/zinc/63/10/24/497631024.db2.gz IVMUIYNJFYANIB-CGTJXYLNSA-N 2 0 366.575 3.255 20 0 FGADRP CC1CC[NH+](Cc2ccccc2CNC(=O)[C@](C)([NH3+])c2ccccc2)CC1 ZINC000262842069 497634575 /nfs/dbraw/zinc/63/45/75/497634575.db2.gz JBRJSZLGQXNUPI-HSZRJFAPSA-N 2 0 365.521 3.409 20 0 FGADRP C[C@@H]([NH2+]CC1(C)CC[NH+](C)CC1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000272485821 497641496 /nfs/dbraw/zinc/64/14/96/497641496.db2.gz BRFKZELKCVLPMQ-CYBMUJFWSA-N 2 0 360.470 3.065 20 0 FGADRP C[C@H]([NH2+]CC1(C)CC[NH+](C)CC1)c1ccc(OCc2nccn2C)cc1 ZINC000272495249 497643727 /nfs/dbraw/zinc/64/37/27/497643727.db2.gz CZDZPWVFSSJUBX-KRWDZBQOSA-N 2 0 356.514 3.382 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)[C@@](C)([NH3+])c1ccccc1)c1cccc(OC)c1 ZINC000262932351 497658830 /nfs/dbraw/zinc/65/88/30/497658830.db2.gz SWEBMJSJKZXPRN-UNMCSNQZSA-N 2 0 369.509 3.068 20 0 FGADRP COc1ccccc1CCC[NH+]1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000272576386 497668072 /nfs/dbraw/zinc/66/80/72/497668072.db2.gz KOSTWCHFIHHRFN-UHFFFAOYSA-N 2 0 359.558 3.118 20 0 FGADRP Cc1ccc([C@@H](CNC(=O)NC2CC[NH+](C(C)(C)C)CC2)[NH+](C)C)cc1 ZINC000194469434 497677309 /nfs/dbraw/zinc/67/73/09/497677309.db2.gz HYOFNECNSGFGKW-LJQANCHMSA-N 2 0 360.546 3.160 20 0 FGADRP Brc1cccc(N2CC[C@H]([NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)C2)c1 ZINC000268144586 497686341 /nfs/dbraw/zinc/68/63/41/497686341.db2.gz QLYRXNKTUQVXHP-XYJFISCASA-N 2 0 364.331 3.244 20 0 FGADRP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)N2CC[C@H]3CC[C@@H](C2)[NH+]3C(C)C)C1 ZINC000246296606 497687307 /nfs/dbraw/zinc/68/73/07/497687307.db2.gz ACOBVYWYUKEZFT-ZCNNSNEGSA-N 2 0 364.578 3.011 20 0 FGADRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)CCC1CC[NH2+]CC1 ZINC000263046130 497690731 /nfs/dbraw/zinc/69/07/31/497690731.db2.gz UBIRJIAMXPDKOT-OEWRPIJISA-N 2 0 357.542 3.039 20 0 FGADRP C[C@H](C[NH+]1CCCCC1)NC(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000246347998 497703517 /nfs/dbraw/zinc/70/35/17/497703517.db2.gz JOSYUAHWYBHFJM-AQNXPRMDSA-N 2 0 364.578 3.157 20 0 FGADRP CCNC(=O)c1cccc(C[NH2+][C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000272704252 497707884 /nfs/dbraw/zinc/70/78/84/497707884.db2.gz ZVHVAFRUBWKGRW-AVRDEDQJSA-N 2 0 365.521 3.437 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)N[C@@H](C)C1=CC[N@H+](C)CC1)c1ccsc1 ZINC000272705722 497707979 /nfs/dbraw/zinc/70/79/79/497707979.db2.gz GMUJLTCWMLYYCA-YJBOKZPZSA-N 2 0 364.559 3.081 20 0 FGADRP CCCn1ccnc1CCCN(C)C(=O)c1cccc(Cn2ccnc2)c1 ZINC000277071242 497733719 /nfs/dbraw/zinc/73/37/19/497733719.db2.gz AFWKCNNBXPSEFH-UHFFFAOYSA-N 2 0 365.481 3.243 20 0 FGADRP CCC(CC)[C@H](CNC(=O)N(C)[C@H]1CC[N@H+](CC)C[C@H]1C)[NH+]1CCCC1 ZINC000246451405 497738317 /nfs/dbraw/zinc/73/83/17/497738317.db2.gz OIFQGLDCBZDVBZ-HOJAQTOUSA-N 2 0 366.594 3.259 20 0 FGADRP C[C@H](C(=O)Nc1ccc(OC(F)F)cc1)N1CCC[C@H]([NH+](C)C)CC1 ZINC000277107882 497743926 /nfs/dbraw/zinc/74/39/26/497743926.db2.gz GYYLNZBTSUPLLZ-HIFRSBDPSA-N 2 0 355.429 3.031 20 0 FGADRP CC1(C)C[N@@H+](C2(CNC(=O)C[C@H]([NH3+])c3ccccc3)CCCCC2)CCO1 ZINC000263325192 497758148 /nfs/dbraw/zinc/75/81/48/497758148.db2.gz KDNJBFIREUPTQW-IBGZPJMESA-N 2 0 373.541 3.006 20 0 FGADRP CC(C)[C@@H](C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCCCC1 ZINC000194750709 497759463 /nfs/dbraw/zinc/75/94/63/497759463.db2.gz URCDHHZUKIOWMI-SFTDATJTSA-N 2 0 357.542 3.135 20 0 FGADRP COc1ccc([C@H](C)[NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)cc1OC ZINC000246567061 497776439 /nfs/dbraw/zinc/77/64/39/497776439.db2.gz XNXJQTMHZPCMCP-KFKAGJAMSA-N 2 0 362.514 3.122 20 0 FGADRP C[C@@H]1C[C@@H](NC(=O)N(C)C[C@H]2CCC[NH+](C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000246583938 497782356 /nfs/dbraw/zinc/78/23/56/497782356.db2.gz UKGPJZURCCXTCV-GIVPXCGWSA-N 2 0 372.557 3.023 20 0 FGADRP C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)NC[C@@H]2CCC[NH+]2C)c1 ZINC000194834071 497786061 /nfs/dbraw/zinc/78/60/61/497786061.db2.gz NAVWTBBQLQBBFP-NRFANRHFSA-N 2 0 351.494 3.143 20 0 FGADRP CCC[N@H+](C)C[C@@H]1CC[NH+](C[C@@H](O)Cc2ccccc2C(F)(F)F)C1 ZINC000246730831 497805760 /nfs/dbraw/zinc/80/57/60/497805760.db2.gz ORTOAKDGNMCEEP-RDJZCZTQSA-N 2 0 358.448 3.273 20 0 FGADRP C[N@@H+]1CCC[C@H](CNC(=O)c2coc(C[NH3+])c2)[C@@H]1c1cccc(Cl)c1 ZINC000364218686 497845822 /nfs/dbraw/zinc/84/58/22/497845822.db2.gz XBJYPFVKQAUTKS-KDOFPFPSSA-N 2 0 361.873 3.205 20 0 FGADRP COc1cc2c(NC3CC[NH+](C[C@H]4CCOC4)CC3)cc[nH+]c2cc1F ZINC000280657758 497845898 /nfs/dbraw/zinc/84/58/98/497845898.db2.gz GJCQGWVUXCZPFO-CQSZACIVSA-N 2 0 359.445 3.295 20 0 FGADRP Cc1ccc(NC(=[NH2+])NC[C@H]2CCC[N@H+](C)[C@H]2c2cnn(C)c2)cc1C ZINC000364249544 497861482 /nfs/dbraw/zinc/86/14/82/497861482.db2.gz GXVWMNFUQFISMQ-VQIMIIECSA-N 2 0 354.502 3.056 20 0 FGADRP Cc1cc(C[NH2+]C[C@@H]2CC[N@@H+](C)[C@H]2c2ccccc2)ccc1-n1cncn1 ZINC000364296397 497885274 /nfs/dbraw/zinc/88/52/74/497885274.db2.gz BWUBIUZTEQNGLV-UNMCSNQZSA-N 2 0 361.493 3.358 20 0 FGADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH+]1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000329750694 497887507 /nfs/dbraw/zinc/88/75/07/497887507.db2.gz IINGQJUTTJIHGZ-NRFANRHFSA-N 2 0 370.497 3.126 20 0 FGADRP Brc1ccccc1CN1CCC([NH2+]CC2CC[NH2+]CC2)CC1 ZINC000581245772 505942574 /nfs/dbraw/zinc/94/25/74/505942574.db2.gz WKKVLLYPYKNDSF-UHFFFAOYSA-N 2 0 366.347 3.003 20 0 FGADRP C[N@@H+]1CC[C@@]2(CC[NH+](CCC(=O)Nc3ccccc3C(F)(F)F)C2)C1 ZINC000292169410 497907500 /nfs/dbraw/zinc/90/75/00/497907500.db2.gz PLIHPINDGMWOML-QGZVFWFLSA-N 2 0 355.404 3.062 20 0 FGADRP C[C@@H]1C[C@H]([NH2+]CCCC[NH+]2CCN(c3ccccc3)CC2)c2nccn21 ZINC000296069477 497911359 /nfs/dbraw/zinc/91/13/59/497911359.db2.gz SBSDXRNUXBJOFE-QUCCMNQESA-N 2 0 353.514 3.081 20 0 FGADRP Cn1nccc1[C@@H]1CCC[C@H]([NH2+]CCCN2CCc3ccccc3C2)C1 ZINC000572350340 505947604 /nfs/dbraw/zinc/94/76/04/505947604.db2.gz DKNMXYFJIZZMBO-CTNGQTDRSA-N 2 0 352.526 3.484 20 0 FGADRP C[N@@H+]1CC[C@@]2(CC[NH+](CCC(=O)Nc3cc(Cl)ccc3Cl)C2)C1 ZINC000292208693 497922337 /nfs/dbraw/zinc/92/23/37/497922337.db2.gz TUBIYEHYYIEFAG-QGZVFWFLSA-N 2 0 356.297 3.350 20 0 FGADRP Cc1ccc(Cl)c(OC[C@H](O)C[NH2+]C2CCC(C[NH+](C)C)CC2)c1 ZINC000572393545 505957993 /nfs/dbraw/zinc/95/79/93/505957993.db2.gz OMSBHKGWROCHEX-OFLPRAFFSA-N 2 0 354.922 3.098 20 0 FGADRP COc1ccc([C@@H](C[NH+](C)C)NC(=O)Nc2cccc(C[NH+](C)C)c2)cc1 ZINC000285144723 498005817 /nfs/dbraw/zinc/00/58/17/498005817.db2.gz JTAXKSBTJDJQAC-HXUWFJFHSA-N 2 0 370.497 3.181 20 0 FGADRP CC[NH+](CC)Cc1ccc(CNC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC000289088569 498010436 /nfs/dbraw/zinc/01/04/36/498010436.db2.gz OPAKFXKCSKSEDF-WCRBZPEASA-N 2 0 372.557 3.295 20 0 FGADRP CC[NH+](CC)Cc1ccccc1CNC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000289191555 498053748 /nfs/dbraw/zinc/05/37/48/498053748.db2.gz ZUHJSRGXNAXYCG-WCRBZPEASA-N 2 0 372.557 3.295 20 0 FGADRP C1CC1[NH+]1CCC(c2nc([C@@H]3CN(C4CCCCC4)CCO3)no2)CC1 ZINC000350212402 498059388 /nfs/dbraw/zinc/05/93/88/498059388.db2.gz NNGQJUZAJPGSOL-SFHVURJKSA-N 2 0 360.502 3.117 20 0 FGADRP Cc1ccccc1[C@H]([NH3+])C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000296574050 498101603 /nfs/dbraw/zinc/10/16/03/498101603.db2.gz WFMMIVPXLRIAMB-NRFANRHFSA-N 2 0 351.494 3.023 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)[C@@H](C[NH3+])c2ccccc2)CC1 ZINC000572486952 505980964 /nfs/dbraw/zinc/98/09/64/505980964.db2.gz QMLJUVFSONDCEB-NQIIRXRSSA-N 2 0 357.542 3.232 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)c1ccccc1CC[NH3+])c1cccc(OC)c1 ZINC000572492724 505981611 /nfs/dbraw/zinc/98/16/11/505981611.db2.gz QKKOACUXMWCIQM-OAQYLSRUSA-N 2 0 369.509 3.009 20 0 FGADRP CN(C)C(=O)c1cccc(CN2CCN(c3cc[nH+]c4ccccc43)CC2)c1 ZINC000289381451 498125547 /nfs/dbraw/zinc/12/55/47/498125547.db2.gz PZVRSPGMVHGOLZ-UHFFFAOYSA-N 2 0 374.488 3.259 20 0 FGADRP C[NH2+]Cc1ccc(NC(=O)NC[C@H](c2ccc(Cl)cc2)[NH+](C)C)cc1 ZINC000572495899 505983232 /nfs/dbraw/zinc/98/32/32/505983232.db2.gz NTACRLXXSPXMMU-GOSISDBHSA-N 2 0 360.889 3.484 20 0 FGADRP C[C@H](C(=O)Nc1cccc(C(F)(F)F)c1)[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000578652728 505989985 /nfs/dbraw/zinc/98/99/85/505989985.db2.gz VSVGIAKLTFASCA-QLFBSQMISA-N 2 0 369.431 3.354 20 0 FGADRP CC[NH+](CC)[C@H](C(=O)N[C@H](C)C[C@H](C)[NH3+])c1cccc(C(F)(F)F)c1 ZINC000578656308 505990631 /nfs/dbraw/zinc/99/06/31/505990631.db2.gz PVWKNVFRSHZVMI-ZENOOKHLSA-N 2 0 359.436 3.330 20 0 FGADRP C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]([NH3+])C(C)(C)C)[C@H]1c1cccc(Cl)c1 ZINC000364853525 498174572 /nfs/dbraw/zinc/17/45/72/498174572.db2.gz ZVIXKSWSHXQPNP-DJIMGWMZSA-N 2 0 351.922 3.213 20 0 FGADRP C[C@H]([NH2+]Cc1ccccc1-c1ccc(C[NH+](C)C)cc1)c1ccc(=O)[nH]n1 ZINC000285791415 498202069 /nfs/dbraw/zinc/20/20/69/498202069.db2.gz UTOISRHWWAKOFN-INIZCTEOSA-N 2 0 362.477 3.349 20 0 FGADRP CC(C)C[C@H]([NH2+][C@@H]1C[C@H](C)Sc2sccc21)C(=O)NCC[NH+](C)C ZINC000575755785 505997330 /nfs/dbraw/zinc/99/73/30/505997330.db2.gz ZFTIOXHWIPJGGG-IMJJTQAJSA-N 2 0 369.600 3.356 20 0 FGADRP CC[N@H+](C)Cc1cccc(CNC(=O)N2CCC([NH+]3CCC[C@H]3C)CC2)c1 ZINC000360342289 498266693 /nfs/dbraw/zinc/26/66/93/498266693.db2.gz IWMXPKQXKDCVGC-GOSISDBHSA-N 2 0 372.557 3.297 20 0 FGADRP COc1ccc([C@H](C)[NH2+]C2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)c(C)c1OC ZINC000286063641 498281847 /nfs/dbraw/zinc/28/18/47/498281847.db2.gz KTVBVEJPGRDGHY-IPELMVKDSA-N 2 0 362.514 3.041 20 0 FGADRP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(-c3nc(CC(F)(F)F)no3)c2)CC[N@@H+]1C ZINC000289763516 498281845 /nfs/dbraw/zinc/28/18/45/498281845.db2.gz LTLPJZYFRPAZDL-DOMZBBRYSA-N 2 0 368.403 3.414 20 0 FGADRP Cc1nnc(CC[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)s1 ZINC000289789709 498293941 /nfs/dbraw/zinc/29/39/41/498293941.db2.gz NFBNFYVZZZUUGH-CEXWTWQISA-N 2 0 356.539 3.279 20 0 FGADRP C[C@@H]1C[C@@H](NC(=O)N(C)CCC[NH+]2CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000281867238 498296837 /nfs/dbraw/zinc/29/68/37/498296837.db2.gz MDAKJIORWVIRGM-CTNGQTDRSA-N 2 0 372.557 3.167 20 0 FGADRP Cn1cncc1CCCN1CCCC[C@H]1c1nnc(CC(F)(F)F)o1 ZINC000572613816 506012327 /nfs/dbraw/zinc/01/23/27/506012327.db2.gz OGRSTFFUPIUIHY-ZDUSSCGKSA-N 2 0 357.380 3.068 20 0 FGADRP CC(C)C[NH+]1CCC([NH2+]C[C@H](O)CO[C@@H]2CCCc3ccccc32)CC1 ZINC000578759145 506014639 /nfs/dbraw/zinc/01/46/39/506014639.db2.gz RPGYYXMDQCTZTP-RBBKRZOGSA-N 2 0 360.542 3.152 20 0 FGADRP COc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]Cc1ccc(-n2ccnc2)nc1)CC3 ZINC000361037283 498336435 /nfs/dbraw/zinc/33/64/35/498336435.db2.gz VRSWLPQIIBHZTO-INIZCTEOSA-N 2 0 373.460 3.404 20 0 FGADRP Cc1nccn1CCCC[NH2+][C@@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)cc1 ZINC000365190627 498343328 /nfs/dbraw/zinc/34/33/28/498343328.db2.gz IAKFSAGAZZUHJZ-MJGOQNOKSA-N 2 0 360.889 3.187 20 0 FGADRP c1csc(C[NH+]2CCC(N[C@@H](c3ncc[nH]3)c3ccccn3)CC2)c1 ZINC000365195766 498344564 /nfs/dbraw/zinc/34/45/64/498344564.db2.gz IPKFTIQIKMLHIE-GOSISDBHSA-N 2 0 353.495 3.210 20 0 FGADRP Cc1cnn([C@H]2CC[NH+](CCCCC[N@H+]3CC[C@H](n4cc(C)cn4)C3)C2)c1 ZINC000289903338 498346037 /nfs/dbraw/zinc/34/60/37/498346037.db2.gz NNZJDZJIZISBGE-SFTDATJTSA-N 2 0 370.545 3.061 20 0 FGADRP C[C@@H]([NH2+]CC1CCC2(CC1)OCCO2)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000365204410 498350637 /nfs/dbraw/zinc/35/06/37/498350637.db2.gz QGVUVHCIPMVWSW-WIYYLYMNSA-N 2 0 358.526 3.420 20 0 FGADRP CN(C)c1ncc(CN2CCC[C@H]([N@H+](C)Cc3ccccc3)CC2)cn1 ZINC000361154241 498351281 /nfs/dbraw/zinc/35/12/81/498351281.db2.gz OAKDXROINAJGAR-FQEVSTJZSA-N 2 0 353.514 3.029 20 0 FGADRP Cc1nccn1CCCCNC(=O)N(C)[C@H](c1ncc[nH]1)c1ccccc1 ZINC000297195051 498352898 /nfs/dbraw/zinc/35/28/98/498352898.db2.gz KLTLHBBAKPGUGE-SFHVURJKSA-N 2 0 366.469 3.126 20 0 FGADRP CN(C)C(=O)N1CCC([NH2+]C[C@H]2CCCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000289948371 498365697 /nfs/dbraw/zinc/36/56/97/498365697.db2.gz XHZSAWJQFKWYKK-HXUWFJFHSA-N 2 0 372.557 3.024 20 0 FGADRP OC[C@]1(C[NH2+]C2CCN(CCC(F)(F)F)CC2)C[C@H]1c1ccccc1 ZINC000289959594 498370702 /nfs/dbraw/zinc/37/07/02/498370702.db2.gz WWIHOLFDHRJRGH-ZWKOTPCHSA-N 2 0 356.432 3.159 20 0 FGADRP C[NH+]1CCC(N(Cc2ccccc2)C(=O)NCC2([NH3+])CCCCCC2)CC1 ZINC000581597679 506024981 /nfs/dbraw/zinc/02/49/81/506024981.db2.gz NNPMWHSPQNJIJT-UHFFFAOYSA-N 2 0 372.557 3.344 20 0 FGADRP C[C@H](NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)[C@H](c1ccccc1)[NH+](C)C ZINC000578806400 506025276 /nfs/dbraw/zinc/02/52/76/506025276.db2.gz OPXSPOLXWYGATM-FBBABVLZSA-N 2 0 357.542 3.449 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1CCC(=O)N(C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000575885423 506026086 /nfs/dbraw/zinc/02/60/86/506026086.db2.gz NRZDQFBKKIODQE-TZIWHRDSSA-N 2 0 357.542 3.231 20 0 FGADRP COc1ccc([C@H](Cc2ccccc2)[NH2+]CCCN2CC[NH+](C)CC2)cc1 ZINC000290040876 498404664 /nfs/dbraw/zinc/40/46/64/498404664.db2.gz CQFXVFIOBHENAW-QHCPKHFHSA-N 2 0 367.537 3.206 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000575897664 506028665 /nfs/dbraw/zinc/02/86/65/506028665.db2.gz CQARHLHAXVCNIE-XMSQKQJNSA-N 2 0 372.557 3.250 20 0 FGADRP C(CCC[N@@H+]1CC[C@@H]([C@H]2CCOC2)C1)CC[NH+]1CC[C@H]([C@@H]2CCOC2)C1 ZINC000361748324 498424414 /nfs/dbraw/zinc/42/44/14/498424414.db2.gz BIIPOELOALPYDF-ZDNVTZCJSA-N 2 0 364.574 3.264 20 0 FGADRP C[C@@H]1[C@H]([NH2+]C2CCN(c3cc[nH+]cc3)CC2)CCN1Cc1ccccc1 ZINC000297373597 498426731 /nfs/dbraw/zinc/42/67/31/498426731.db2.gz HWXOVNFMRSUBJH-XMSQKQJNSA-N 2 0 350.510 3.303 20 0 FGADRP Cc1cc([C@H](C)[NH2+]C[C@H](C)N2CC[NH+](C)CC2)sc1Br ZINC000286562338 498436494 /nfs/dbraw/zinc/43/64/94/498436494.db2.gz PCOFQYVXSQCANV-STQMWFEESA-N 2 0 360.365 3.106 20 0 FGADRP CC(C)(C(=O)N1CCC[N@H+](Cc2ccccc2)CC1)[C@H]([NH3+])c1ccccc1 ZINC000578862834 506039598 /nfs/dbraw/zinc/03/95/98/506039598.db2.gz AGKUHXJBVACRFI-OAQYLSRUSA-N 2 0 365.521 3.447 20 0 FGADRP C[C@H]([NH2+]CCCCC[NH+]1CCCC1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000293774336 498484778 /nfs/dbraw/zinc/48/47/78/498484778.db2.gz SLXUTILJEIBMFY-HNNXBMFYSA-N 2 0 356.507 3.146 20 0 FGADRP c1ccc(COc2ccc(C[NH+]3CCC([C@@H]4CC[NH2+]C4)CC3)cc2)nc1 ZINC000569927748 506050230 /nfs/dbraw/zinc/05/02/30/506050230.db2.gz JJYJDLKTTCMVAK-HXUWFJFHSA-N 2 0 351.494 3.482 20 0 FGADRP COc1cc2c(cc1F)CC[C@H]2[NH2+]Cc1ccncc1OCCC[NH+](C)C ZINC000290418289 498544966 /nfs/dbraw/zinc/54/49/66/498544966.db2.gz UOMSAVWLCOWJON-LJQANCHMSA-N 2 0 373.472 3.337 20 0 FGADRP C[C@H]1CN(C(=O)c2ccc(Nc3cc[nH+]cc3)cc2)CC[N@@H+](C2CCC2)C1 ZINC000569935821 506051843 /nfs/dbraw/zinc/05/18/43/506051843.db2.gz LOEZMEDWOVZBNZ-QGZVFWFLSA-N 2 0 364.493 3.194 20 0 FGADRP C[NH+](C)CCOc1cnccc1C[NH2+]CCc1ccc(F)cc1Cl ZINC000578943788 506056192 /nfs/dbraw/zinc/05/61/92/506056192.db2.gz MVYMRIMFXLMVQY-UHFFFAOYSA-N 2 0 351.853 3.147 20 0 FGADRP C[C@H]([NH2+]CC1(O)CCC(C)CC1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000576030051 506059399 /nfs/dbraw/zinc/05/93/99/506059399.db2.gz LAJYQJOTEINGMG-BATSVXPKSA-N 2 0 363.521 3.169 20 0 FGADRP Cc1ccc(Cl)c(OC[C@@H](O)C[NH2+]CCCC[NH+]2CCC(C)CC2)c1 ZINC000572834268 506063703 /nfs/dbraw/zinc/06/37/03/506063703.db2.gz ATBDNUIGOCWXMG-SFHVURJKSA-N 2 0 368.949 3.490 20 0 FGADRP CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(OC3CC[NH+](C)CC3)cc2)[C@H]1SC ZINC000298040219 498646349 /nfs/dbraw/zinc/64/63/49/498646349.db2.gz HGNPLIZLFDMBAU-XUVXKRRUSA-N 2 0 364.555 3.158 20 0 FGADRP CC(C)(C)OC(=O)N1CCC[C@@H]([NH2+]C2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000298063936 498653637 /nfs/dbraw/zinc/65/36/37/498653637.db2.gz KIUREZJSWYLMJX-QGZVFWFLSA-N 2 0 360.502 3.040 20 0 FGADRP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)C1 ZINC000303346394 498667113 /nfs/dbraw/zinc/66/71/13/498667113.db2.gz ZPWKLOVCMHUCFO-VAMGGRTRSA-N 2 0 364.578 3.014 20 0 FGADRP C[C@H]1CN(c2ccccc2C[N@@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)CCO1 ZINC000298130643 498672987 /nfs/dbraw/zinc/67/29/87/498672987.db2.gz PZNSEVRUTUIQSQ-AZUAARDMSA-N 2 0 357.542 3.075 20 0 FGADRP C[NH+](C)Cc1ccccc1C(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000365858091 498674084 /nfs/dbraw/zinc/67/40/84/498674084.db2.gz BMWUXBLTDDIKSV-IBGZPJMESA-N 2 0 357.542 3.476 20 0 FGADRP C[NH+](C)Cc1ccccc1C(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000365866275 498677937 /nfs/dbraw/zinc/67/79/37/498677937.db2.gz LWXYSQIWKRKCPW-HXUWFJFHSA-N 2 0 365.521 3.390 20 0 FGADRP Clc1ccccc1C[NH+]1CCC(C[NH2+]Cc2cn3cccnc3n2)CC1 ZINC000298261650 498713700 /nfs/dbraw/zinc/71/37/00/498713700.db2.gz FPVSZQZQBNYIGK-UHFFFAOYSA-N 2 0 369.900 3.385 20 0 FGADRP c1ccc(CN2CCCO[C@@H](C[NH+]3CCC(C[NH+]4CCCC4)CC3)C2)cc1 ZINC000365977444 498718671 /nfs/dbraw/zinc/71/86/71/498718671.db2.gz HDGYQHGXAMQSSM-QHCPKHFHSA-N 2 0 371.569 3.085 20 0 FGADRP Cc1c[nH+]ccc1N1CCC(C(=O)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000363297791 498751005 /nfs/dbraw/zinc/75/10/05/498751005.db2.gz YRWPMEUCBXFABY-HDICACEKSA-N 2 0 372.557 3.091 20 0 FGADRP Cc1c[nH+]ccc1N1CCC(C(=O)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000363297792 498751283 /nfs/dbraw/zinc/75/12/83/498751283.db2.gz YRWPMEUCBXFABY-QZTJIDSGSA-N 2 0 372.557 3.091 20 0 FGADRP CN(C)[C@H](C[NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1c(F)cccc1F ZINC000298498362 498792082 /nfs/dbraw/zinc/79/20/82/498792082.db2.gz QIJAMAKHVHKEOU-LJQANCHMSA-N 2 0 360.452 3.221 20 0 FGADRP [NH3+][C@@H]1CCCCC[C@@H]1NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000581937849 506094823 /nfs/dbraw/zinc/09/48/23/506094823.db2.gz YKACNDAUIOKBAF-BDTNDASRSA-N 2 0 371.569 3.165 20 0 FGADRP Cc1cn2c(n1)[C@H](C[NH2+]C1CC[NH+](CCc3ccccc3)CC1)CCC2 ZINC000366213333 498826609 /nfs/dbraw/zinc/82/66/09/498826609.db2.gz YCCIZEBBESZLAY-FQEVSTJZSA-N 2 0 352.526 3.366 20 0 FGADRP C[C@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1cccc(N2CCOC2=O)c1 ZINC000298611488 498828307 /nfs/dbraw/zinc/82/83/07/498828307.db2.gz ZZVUOHIZDLZZIP-INIZCTEOSA-N 2 0 366.465 3.358 20 0 FGADRP CC(C)[NH+]1CCN(CCC[NH2+][C@H](C)c2ccccc2OC(F)F)CC1 ZINC000283302471 498845631 /nfs/dbraw/zinc/84/56/31/498845631.db2.gz NKKVMTLCVKFXSU-MRXNPFEDSA-N 2 0 355.473 3.355 20 0 FGADRP C[NH+](C)CCCOc1ccc(C[NH2+][C@@H]2CCO[C@H](C(F)(F)F)C2)cc1 ZINC000287762463 498857776 /nfs/dbraw/zinc/85/77/76/498857776.db2.gz QYINTUNXPPDIDB-WBVHZDCISA-N 2 0 360.420 3.217 20 0 FGADRP CC[C@H]([NH2+]Cc1c(C)nn(C)c1N1CCC[N@H+](C)CC1)c1cccs1 ZINC000366295083 498863888 /nfs/dbraw/zinc/86/38/88/498863888.db2.gz JCDLAXLRXZZXIA-KRWDZBQOSA-N 2 0 361.559 3.173 20 0 FGADRP C[C@H]([NH2+]Cc1cccc(OCC[NH+](C)C)c1)c1cccc(-n2ccnn2)c1 ZINC000287828646 498877076 /nfs/dbraw/zinc/87/70/76/498877076.db2.gz VNURHSUGLZYZSX-KRWDZBQOSA-N 2 0 365.481 3.059 20 0 FGADRP C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000295020757 498881922 /nfs/dbraw/zinc/88/19/22/498881922.db2.gz NEUWJLZGPYQCFW-CCNLRDMRSA-N 2 0 363.933 3.292 20 0 FGADRP C[C@@H]([NH+](C)Cc1cc(C[N@@H+](C)[C@@H](C)C(C)(C)O)ccc1F)C(C)(C)O ZINC000295091962 498906573 /nfs/dbraw/zinc/90/65/73/498906573.db2.gz FJTFAYAOTWRWNN-LSDHHAIUSA-N 2 0 354.510 3.008 20 0 FGADRP O=C(c1ccc(C[NH+]2CCCC2)cc1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000363646759 498921654 /nfs/dbraw/zinc/92/16/54/498921654.db2.gz OGHIHOUXBSCHHT-UHFFFAOYSA-N 2 0 355.526 3.373 20 0 FGADRP C[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)c1ccc(OCc2nccn2C)cc1 ZINC000576268684 506117017 /nfs/dbraw/zinc/11/70/17/506117017.db2.gz YFMFGEYGRBOWDD-GDAAHCPNSA-N 2 0 354.498 3.038 20 0 FGADRP C[C@@H]1CC[N@H+](CCOc2ccc(NC(=O)c3ccccc3CC[NH3+])cc2)C1 ZINC000573103046 506120198 /nfs/dbraw/zinc/12/01/98/506120198.db2.gz RGASSJYETOXGFG-QGZVFWFLSA-N 2 0 367.493 3.161 20 0 FGADRP COc1ccc2c(c1)[C@@H]([NH2+]Cc1ccncc1OCC[NH+](C)C)CCC2 ZINC000576309371 506127563 /nfs/dbraw/zinc/12/75/63/506127563.db2.gz WRAQKEFBOIFSJH-FQEVSTJZSA-N 2 0 355.482 3.198 20 0 FGADRP Cc1ccc(Br)cc1NC(=O)CC[NH2+][C@H]1CC[NH2+]CC[C@@H]1C ZINC000582056894 506123186 /nfs/dbraw/zinc/12/31/86/506123186.db2.gz ZITKQWLEGHGXMM-ZFWWWQNUSA-N 2 0 368.319 3.064 20 0 FGADRP Cc1ncc(CN2CC[C@@H]([NH2+]C[C@H](O)c3ccc(F)cc3)[C@H](C)C2)s1 ZINC000366593934 498994141 /nfs/dbraw/zinc/99/41/41/498994141.db2.gz RPZQZCAKALCJHE-ZNOIYHFQSA-N 2 0 363.502 3.124 20 0 FGADRP CC[NH+](CC)CC(=O)Nc1cccc(NCc2c[nH+]ccc2N(C)C)c1 ZINC000288357009 499002980 /nfs/dbraw/zinc/00/29/80/499002980.db2.gz CNQKDPQALLOOND-UHFFFAOYSA-N 2 0 355.486 3.040 20 0 FGADRP C[C@@H](CNC(=O)c1ccccc1CC1CC[NH2+]CC1)[NH+]1CCC(C)CC1 ZINC000579234925 506126229 /nfs/dbraw/zinc/12/62/29/506126229.db2.gz SDMSZENXKOWXLJ-SFHVURJKSA-N 2 0 357.542 3.079 20 0 FGADRP C[C@@H]([NH2+][C@H]1CC[C@@H](C(=O)N2CCCC2)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000366666191 499025224 /nfs/dbraw/zinc/02/52/24/499025224.db2.gz LNDAEKLGDUFJNB-RLLQIKCJSA-N 2 0 373.541 3.069 20 0 FGADRP C[C@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccnn1-c1ccccc1 ZINC000363948792 499064013 /nfs/dbraw/zinc/06/40/13/499064013.db2.gz RSJSAKIXMLMVAW-AVRDEDQJSA-N 2 0 361.493 3.268 20 0 FGADRP CCc1nc2ccccc2n1C1CCN(C(=O)CC2CC[NH+](C)CC2)CC1 ZINC000291778762 499065453 /nfs/dbraw/zinc/06/54/53/499065453.db2.gz XBKAKDYEJLUSLK-UHFFFAOYSA-N 2 0 368.525 3.494 20 0 FGADRP COc1cc2c(cc1F)[nH+]ccc2N1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000333751813 499070380 /nfs/dbraw/zinc/07/03/80/499070380.db2.gz ZDPFODDMIBFJDA-OXJNMPFZSA-N 2 0 359.445 3.105 20 0 FGADRP c1ccc(CN2CC[C@H]([NH2+][C@@H]3CCO[C@@]4(CCOC4)C3)CC23CC3)cc1 ZINC000570279093 506131567 /nfs/dbraw/zinc/13/15/67/506131567.db2.gz FHPIADBECBPRIJ-VWPQPMDRSA-N 2 0 356.510 3.111 20 0 FGADRP c1nnn(Cc2ccccc2)c1C[NH2+]Cc1ccc(C[NH+]2CCCC2)cc1 ZINC000291909701 499099935 /nfs/dbraw/zinc/09/99/35/499099935.db2.gz JZYFSRDBDZNVFM-UHFFFAOYSA-N 2 0 361.493 3.212 20 0 FGADRP CCCN(CCC[NH+](C)C)C(=O)NC[C@H]1CC[N@H+](C)[C@@H]1c1cccs1 ZINC000364051641 499100744 /nfs/dbraw/zinc/10/07/44/499100744.db2.gz KUEWVQNPEOMOOQ-AEFFLSMTSA-N 2 0 366.575 3.114 20 0 FGADRP CN(C(=O)c1ccc(OC(C)(C)C)cc1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000364175085 499127550 /nfs/dbraw/zinc/12/75/50/499127550.db2.gz HJHPORNUQIUHPO-LJQANCHMSA-N 2 0 373.541 3.104 20 0 FGADRP C[C@@H]1CCC[N@@H+]1C1CCN(C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)CC1 ZINC000367071755 499143634 /nfs/dbraw/zinc/14/36/34/499143634.db2.gz CLPDRQPWJHGOLU-NFBKMPQASA-N 2 0 371.569 3.226 20 0 FGADRP Cc1ccc([C@H]([NH3+])C(=O)NC2CC[NH+](Cc3cccc(C)c3)CC2)cc1 ZINC000370115718 499182891 /nfs/dbraw/zinc/18/28/91/499182891.db2.gz YJVVTJGSPQZZDC-NRFANRHFSA-N 2 0 351.494 3.084 20 0 FGADRP Cc1ccc(-c2cnc(CN3CC[C@H]([NH+]4CCN(C)CC4)[C@@H](C)C3)o2)cc1 ZINC000370149583 499187833 /nfs/dbraw/zinc/18/78/33/499187833.db2.gz PBQRYLGZKGASRA-ICSRJNTNSA-N 2 0 368.525 3.108 20 0 FGADRP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)c2ccc(C[NH+](C)C)nc2)CC1 ZINC000367400015 499194677 /nfs/dbraw/zinc/19/46/77/499194677.db2.gz RUWOPZSCQLNXRP-KRWDZBQOSA-N 2 0 366.509 3.099 20 0 FGADRP C[N@@H+]1CC[C@H]([NH2+]Cc2cccc(C(=O)NCc3ccco3)c2)[C@@H]2CCC[C@H]21 ZINC000367610072 499217656 /nfs/dbraw/zinc/21/76/56/499217656.db2.gz ZXMGIMBIDNWAHJ-PCCBWWKXSA-N 2 0 367.493 3.172 20 0 FGADRP COC(=O)N1CCC(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC000367709182 499227175 /nfs/dbraw/zinc/22/71/75/499227175.db2.gz RCTZNCVLLXXMQW-MZADTFQBSA-N 2 0 371.525 3.250 20 0 FGADRP Cc1cccc(C)c1NC(=O)CCC[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@H]2C1 ZINC000370732660 499249120 /nfs/dbraw/zinc/24/91/20/499249120.db2.gz OOOWGDKRCLCYKU-AABGKKOBSA-N 2 0 355.526 3.438 20 0 FGADRP Cc1cccc(C)c1NC(=O)CCC[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@@H]2C1 ZINC000370732661 499249587 /nfs/dbraw/zinc/24/95/87/499249587.db2.gz OOOWGDKRCLCYKU-AQNXPRMDSA-N 2 0 355.526 3.438 20 0 FGADRP c1[nH]nc(-c2cccnc2)c1C[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000367962761 499250285 /nfs/dbraw/zinc/25/02/85/499250285.db2.gz KABLYVSBBNZPNO-UNMCSNQZSA-N 2 0 373.504 3.426 20 0 FGADRP COc1ccc([C@@H]2[C@@H](C[NH2+][C@@H](C)C(C)(C)n3cncn3)CCCN2C)cc1 ZINC000368114915 499266050 /nfs/dbraw/zinc/26/60/50/499266050.db2.gz KMCLGCJVEJHZSP-ILZDJORESA-N 2 0 371.529 3.083 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000371034108 499282282 /nfs/dbraw/zinc/28/22/82/499282282.db2.gz MVALZRUUJKABLY-QUCCMNQESA-N 2 0 364.578 3.014 20 0 FGADRP FC(F)Cn1cc(C[NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)cn1 ZINC000368319276 499284889 /nfs/dbraw/zinc/28/48/89/499284889.db2.gz WEBZPDWQGDFRRT-GUDVDZBRSA-N 2 0 360.452 3.148 20 0 FGADRP C[NH+]1CCC(N2CC[C@@H]([NH2+]Cc3ccc(Sc4ccccn4)o3)C2)CC1 ZINC000368347041 499287294 /nfs/dbraw/zinc/28/72/94/499287294.db2.gz GRESZEWGGHBTBB-MRXNPFEDSA-N 2 0 372.538 3.084 20 0 FGADRP CC(C)(C)OC(=O)NC[C@@]12CCC[C@@H]1C[N@@H+]([C@H]1CC[NH+]3CCC[C@H]3C1)C2 ZINC000368354033 499288267 /nfs/dbraw/zinc/28/82/67/499288267.db2.gz GDHFIRNMCCELLZ-OEMYIYORSA-N 2 0 363.546 3.240 20 0 FGADRP CC(C)(C)OC(=O)NC[C@@]12CCC[C@@H]1C[N@@H+]([C@H]1CC[NH+]3CCC[C@@H]3C1)C2 ZINC000368354031 499288444 /nfs/dbraw/zinc/28/84/44/499288444.db2.gz GDHFIRNMCCELLZ-DCXXXQMHSA-N 2 0 363.546 3.240 20 0 FGADRP CC1(C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)CC[NH+](Cc2ccccc2)CC1 ZINC000368380947 499290732 /nfs/dbraw/zinc/29/07/32/499290732.db2.gz QREJAFOLQBYEKQ-PMACEKPBSA-N 2 0 355.526 3.032 20 0 FGADRP C[NH+](C)Cc1c2ccccc2oc1C(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000371230381 499300407 /nfs/dbraw/zinc/30/04/07/499300407.db2.gz LVEMRSIVDKPLSR-YJBOKZPZSA-N 2 0 355.482 3.099 20 0 FGADRP C[NH+](C)CCOc1cc(C[NH2+][C@H]2CCC[C@@H](c3cccnc3)C2)ccn1 ZINC000368520485 499304092 /nfs/dbraw/zinc/30/40/92/499304092.db2.gz VTTUCBRDMLCZLA-QUCCMNQESA-N 2 0 354.498 3.233 20 0 FGADRP C[C@H]1C[N@H+](CCOc2cccc3ccccc32)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000371301597 499307141 /nfs/dbraw/zinc/30/71/41/499307141.db2.gz GIUNLJFRXJMONS-UGKGYDQZSA-N 2 0 367.537 3.176 20 0 FGADRP C[N@@H+]1CC[C@@H](C[NH2+]C2CCN(C(=O)c3ccoc3)CC2)[C@@H]1c1ccccc1 ZINC000371329801 499311125 /nfs/dbraw/zinc/31/11/25/499311125.db2.gz NVUYIDQUZONUSP-RXVVDRJESA-N 2 0 367.493 3.167 20 0 FGADRP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](Cc3cccn3Cc3cccs3)C2)CC1 ZINC000371334542 499311846 /nfs/dbraw/zinc/31/18/46/499311846.db2.gz GUBWSZUMLSQINX-HXUWFJFHSA-N 2 0 372.582 3.198 20 0 FGADRP C[C@H]1C[N@H+](CCOc2cccc3ccccc32)CCN1C1CC[NH+](C)CC1 ZINC000371691919 499355794 /nfs/dbraw/zinc/35/57/94/499355794.db2.gz DTCMQTXTFMJRAK-IBGZPJMESA-N 2 0 367.537 3.319 20 0 FGADRP Cc1cccc(C[NH+]2CCC(NC(=O)N(C)CCC[NH+]3CCCC3)CC2)c1 ZINC000369071292 499362562 /nfs/dbraw/zinc/36/25/62/499362562.db2.gz MFXOMXUJCPXBCY-UHFFFAOYSA-N 2 0 372.557 3.087 20 0 FGADRP Cc1cc(N2CCC([N@H+](C)C[C@H](O)c3ccc(F)cc3C)CC2)nc(C)n1 ZINC000371884598 499375452 /nfs/dbraw/zinc/37/54/52/499375452.db2.gz SPBFKVMBBBEBLQ-FQEVSTJZSA-N 2 0 372.488 3.175 20 0 FGADRP O=C(c1ccc(C[NH+]2CCCC2)cc1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000372190509 499407200 /nfs/dbraw/zinc/40/72/00/499407200.db2.gz BNNWJBUESZYHAT-RBBKRZOGSA-N 2 0 367.537 3.371 20 0 FGADRP CC1CC[NH+](Cc2ccc(NC(=O)[C@H]3CCc4nccn4C3)cc2)CC1 ZINC000372323058 499420627 /nfs/dbraw/zinc/42/06/27/499420627.db2.gz APGSEOAAHCFABA-SFHVURJKSA-N 2 0 352.482 3.316 20 0 FGADRP O=C1[C@@H](NC2CC[NH+](C3CCCCC3)CC2)CCN1Cc1ccccc1 ZINC000369739818 499439728 /nfs/dbraw/zinc/43/97/28/499439728.db2.gz QKGOHRDAMUTGCM-NRFANRHFSA-N 2 0 355.526 3.174 20 0 FGADRP CN1CC[NH+](CC2(C)CC[NH+](Cc3cc(F)cc4cccnc43)CC2)CC1 ZINC000373254582 499459893 /nfs/dbraw/zinc/45/98/93/499459893.db2.gz FNXZYMYSIVHCSQ-UHFFFAOYSA-N 2 0 370.516 3.223 20 0 FGADRP Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)C[C@@H]1CCC[NH2+]CC1 ZINC000373517732 499474569 /nfs/dbraw/zinc/47/45/69/499474569.db2.gz VLLROENUYBZEQE-QGZVFWFLSA-N 2 0 361.555 3.262 20 0 FGADRP COc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CCC[C@@H]1N1CCOCC1)CCS2 ZINC000373637913 499481249 /nfs/dbraw/zinc/48/12/49/499481249.db2.gz JZNQGPUTCSPIIC-IPELMVKDSA-N 2 0 362.539 3.323 20 0 FGADRP C[C@@H]1CN(Cc2cscc2C(F)(F)F)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000576392758 506147196 /nfs/dbraw/zinc/14/71/96/506147196.db2.gz WGSSHRSXXPMVFO-CZUORRHYSA-N 2 0 361.477 3.225 20 0 FGADRP COc1ncc([C@H](C)N[C@@H]2CC[N@H+](C[C@@H]3CCCO3)C[C@@H]2C)cc1Cl ZINC000375294974 499503838 /nfs/dbraw/zinc/50/38/38/499503838.db2.gz XXHJGFQISUWMCZ-ILXVDBEPSA-N 2 0 367.921 3.284 20 0 FGADRP C[C@H]1C[N@H+](CCCCCOc2ccccc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000375356715 499510287 /nfs/dbraw/zinc/51/02/87/499510287.db2.gz OIVLFXPCFBCGHB-RBBKRZOGSA-N 2 0 359.558 3.194 20 0 FGADRP C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)C[C@@H]([NH3+])c1ccccc1 ZINC000382721996 499546292 /nfs/dbraw/zinc/54/62/92/499546292.db2.gz NWWDWHFVMMFCJB-GHTZIAJQSA-N 2 0 351.494 3.200 20 0 FGADRP COC(=O)c1ccc(CN[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)o1 ZINC000388981163 499551932 /nfs/dbraw/zinc/55/19/32/499551932.db2.gz QTLAEINZRDBOKS-QXAKKESOSA-N 2 0 354.450 3.066 20 0 FGADRP C[C@H]([NH2+][C@@H]1CCOC2(CCOCC2)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000389156292 499552137 /nfs/dbraw/zinc/55/21/37/499552137.db2.gz YCCWBMHZSDKDEC-SESVDKBCSA-N 2 0 358.526 3.215 20 0 FGADRP C[N@@H+]1CC[C@H]([NH2+]Cc2cccc(NC(=O)c3ccncc3)c2)[C@H]2CCC[C@H]21 ZINC000375854598 499562639 /nfs/dbraw/zinc/56/26/39/499562639.db2.gz UWCZDOFXVNDLDY-QHAWAJNXSA-N 2 0 364.493 3.296 20 0 FGADRP OC1(C[NH2+]CCc2ccc(Cl)cc2)CC[NH+](Cc2ccccc2)CC1 ZINC000397615182 499564713 /nfs/dbraw/zinc/56/47/13/499564713.db2.gz SZYSLJGIHRLKEB-UHFFFAOYSA-N 2 0 358.913 3.499 20 0 FGADRP CC(C)[NH+]1CCN([C@H]2CC[N@H+](CCc3c(F)cccc3Cl)C2)CC1 ZINC000375900597 499566633 /nfs/dbraw/zinc/56/66/33/499566633.db2.gz HHKBBRQSTFOIKV-INIZCTEOSA-N 2 0 353.913 3.122 20 0 FGADRP Cn1nccc1[C@H]1CCC[C@@H](Nc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000376080656 499581451 /nfs/dbraw/zinc/58/14/51/499581451.db2.gz KLYBJXLQRJWSOG-PKOBYXMFSA-N 2 0 353.514 3.310 20 0 FGADRP O[C@H](C[NH2+]C1CC[NH+](CC2CC2)CC1)Cc1ccccc1C(F)(F)F ZINC000579343632 506151712 /nfs/dbraw/zinc/15/17/12/506151712.db2.gz HAIJMJVYYLTMJV-KRWDZBQOSA-N 2 0 356.432 3.073 20 0 FGADRP Cn1cc(C[NH2+]C[C@@H]2CCN(C)[C@H]2c2cccnc2)c(-c2ccccc2)n1 ZINC000377298560 499677884 /nfs/dbraw/zinc/67/78/84/499677884.db2.gz NUQSWURAUQQNCG-UGKGYDQZSA-N 2 0 361.493 3.265 20 0 FGADRP CCCNC(=O)CCC[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000411328805 499726217 /nfs/dbraw/zinc/72/62/17/499726217.db2.gz QGQPVYIVLCEJJH-LEWJYISDSA-N 2 0 357.542 3.279 20 0 FGADRP C[N@@H+]1CC[C@@H](CNCc2nccn2CC(F)(F)F)[C@@H]1c1ccccc1 ZINC000377763732 499730378 /nfs/dbraw/zinc/73/03/78/499730378.db2.gz RYKYTVZFMRBOBK-RDJZCZTQSA-N 2 0 352.404 3.228 20 0 FGADRP Cc1ncc(CN2CC[C@H]([NH2+]Cc3c(C)nn(C)c3Cl)[C@H](C)C2)s1 ZINC000377794304 499735207 /nfs/dbraw/zinc/73/52/07/499735207.db2.gz YKRHGOHXHXJNRV-BZNIZROVSA-N 2 0 367.950 3.147 20 0 FGADRP O=C1C[C@@H]([C@@H]2CCCC[N@@H+]2Cc2cccc(C[NH+]3CCCCC3)c2)CN1 ZINC000411410106 499736313 /nfs/dbraw/zinc/73/63/13/499736313.db2.gz CIMHSECIHBRJES-RTWAWAEBSA-N 2 0 355.526 3.163 20 0 FGADRP CC(C)[NH+]1CCC(NC(=O)C[NH2+][C@@H]2CCCC[C@H]2Cc2ccccc2)CC1 ZINC000411555290 499762542 /nfs/dbraw/zinc/76/25/42/499762542.db2.gz VPJDHOAWILAJPY-RBBKRZOGSA-N 2 0 371.569 3.367 20 0 FGADRP CN1CCO[C@@H]([C@@H]([NH2+]CC[C@H]2CCC[N@H+](C)C2)c2ccc(Cl)cc2)C1 ZINC000414199365 499768194 /nfs/dbraw/zinc/76/81/94/499768194.db2.gz WUPXERYPSHHHDV-AHRSYUTCSA-N 2 0 365.949 3.033 20 0 FGADRP C[C@@H]1OCC[C@@]12C[N@H+](Cc1cccc(C[NH+]3CCCCC3)c1)C[C@@H](C)O2 ZINC000411670010 499775524 /nfs/dbraw/zinc/77/55/24/499775524.db2.gz KPSJQKFABHELNW-XQBPLPMBSA-N 2 0 358.526 3.441 20 0 FGADRP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1)c1ccsc1 ZINC000414324912 499778096 /nfs/dbraw/zinc/77/80/96/499778096.db2.gz LDWVCROSEAMLMJ-HNNXBMFYSA-N 2 0 357.523 3.296 20 0 FGADRP CC(C)[NH+]1CCC(NC(=O)C[NH2+][C@]2(c3ccc(Cl)cc3)C[C@H]2C)CC1 ZINC000411699265 499780063 /nfs/dbraw/zinc/78/00/63/499780063.db2.gz YIPKTKABFLVXKU-FOIQADDNSA-N 2 0 363.933 3.154 20 0 FGADRP CC1=C[C@@H](C)C[C@H](C[NH2+]Cc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)C1 ZINC000414553134 499807736 /nfs/dbraw/zinc/80/77/36/499807736.db2.gz HXPONOWKQLMZFZ-UTKZUKDTSA-N 2 0 369.553 3.466 20 0 FGADRP [NH3+]CC(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2CCCc2ccccc2)C1 ZINC000414714847 499822053 /nfs/dbraw/zinc/82/20/53/499822053.db2.gz VYWYIVUEWAKVJA-SFTDATJTSA-N 2 0 357.542 3.061 20 0 FGADRP COc1cc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)ccc1OCC(F)(F)F ZINC000414772418 499829209 /nfs/dbraw/zinc/82/92/09/499829209.db2.gz UGTUEPUEVMKOFN-GASCZTMLSA-N 2 0 358.404 3.068 20 0 FGADRP COc1ccc(C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc1Br ZINC000414780313 499830500 /nfs/dbraw/zinc/83/05/00/499830500.db2.gz LIHGHHSCXSBPND-GJZGRUSLSA-N 2 0 353.304 3.279 20 0 FGADRP FC(F)(F)c1ccc([C@@H]2CCC[C@@H]2[NH2+]CCCN2CC[NH2+]CC2)cc1 ZINC000414784480 499830650 /nfs/dbraw/zinc/83/06/50/499830650.db2.gz SJDXWJBHLNYDHH-ROUUACIJSA-N 2 0 355.448 3.226 20 0 FGADRP COc1sc(C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc1Br ZINC000414784995 499831187 /nfs/dbraw/zinc/83/11/87/499831187.db2.gz RYBAXZSVZVZCJX-RYUDHWBXSA-N 2 0 359.333 3.341 20 0 FGADRP Cc1ccc(-c2ncc(C[N@@H+]3C[C@@H](C[NH3+])C4(C3)CCOCC4)s2)cc1 ZINC000414790535 499831626 /nfs/dbraw/zinc/83/16/26/499831626.db2.gz ZZKFFGMIIRVKQT-QGZVFWFLSA-N 2 0 357.523 3.306 20 0 FGADRP CCCOc1ccc(C[N@@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)cc1OCC ZINC000414791129 499831671 /nfs/dbraw/zinc/83/16/71/499831671.db2.gz QMACUJSKOBFNMC-SFHVURJKSA-N 2 0 362.514 3.061 20 0 FGADRP Cc1cc(Br)cc(C[NH2+]CC[C@H]2CC[NH2+]C2)c1OC(F)F ZINC000414828651 499835000 /nfs/dbraw/zinc/83/50/00/499835000.db2.gz JDNQCMNVOCNQTH-LLVKDONJSA-N 2 0 363.246 3.448 20 0 FGADRP C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000414847726 499837231 /nfs/dbraw/zinc/83/72/31/499837231.db2.gz GAIPGPYSXFGCSE-MGPQQGTHSA-N 2 0 368.319 3.144 20 0 FGADRP C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000414850898 499837902 /nfs/dbraw/zinc/83/79/02/499837902.db2.gz IREDPESJBRLSEM-MGPQQGTHSA-N 2 0 373.419 3.280 20 0 FGADRP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1cccc(C[NH+]2CCCCC2)c1 ZINC000412329499 499845246 /nfs/dbraw/zinc/84/52/46/499845246.db2.gz BLVRTAPCXUGRIG-NQIIRXRSSA-N 2 0 355.526 3.371 20 0 FGADRP COc1cccc(-c2nn(C(C)(C)C)cc2C[NH2+][C@H]2CC[NH2+]C[C@@H]2C)c1 ZINC000414942369 499846849 /nfs/dbraw/zinc/84/68/49/499846849.db2.gz MPKDGDRRJBBSOP-KXBFYZLASA-N 2 0 356.514 3.401 20 0 FGADRP Cc1cccn2cc(COc3ccc(C[NH2+]C4(C)CC[NH2+]CC4)cc3)nc12 ZINC000414948432 499847844 /nfs/dbraw/zinc/84/78/44/499847844.db2.gz YELMZLYLVIMYDV-UHFFFAOYSA-N 2 0 364.493 3.453 20 0 FGADRP COCC1(C[NH2+][C@H](C)CC(=O)Nc2ccccc2C(C)C)CC[NH2+]CC1 ZINC000414975693 499850652 /nfs/dbraw/zinc/85/06/52/499850652.db2.gz OGDMSWLEVCSGQX-QGZVFWFLSA-N 2 0 361.530 3.133 20 0 FGADRP C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]C[C@H]1CCC[C@H]([NH3+])C1 ZINC000414994425 499852609 /nfs/dbraw/zinc/85/26/09/499852609.db2.gz DPQRIOGEVGRYBY-IPYPFGDCSA-N 2 0 368.319 3.273 20 0 FGADRP COc1ccc(C(=O)Nc2cccc(C[NH2+][C@@H]3CC[C@H](C[NH3+])C3)c2)cc1 ZINC000415035032 499856606 /nfs/dbraw/zinc/85/66/06/499856606.db2.gz KJIGVHDKDAUPSH-MAUKXSAKSA-N 2 0 353.466 3.165 20 0 FGADRP c1cc(C[NH2+]C2CCC([NH+]3CCNCC3)CC2)cc(OC2CCCC2)c1 ZINC000415052803 499858681 /nfs/dbraw/zinc/85/86/81/499858681.db2.gz LKBZTQMAAVHCIJ-UHFFFAOYSA-N 2 0 357.542 3.314 20 0 FGADRP FC(F)(F)c1cccc(C2(C[NH2+]C[C@H]3CCC[NH2+]C3)CCOCC2)c1 ZINC000415094759 499862772 /nfs/dbraw/zinc/86/27/72/499862772.db2.gz YETGXJUTESJULA-HNNXBMFYSA-N 2 0 356.432 3.343 20 0 FGADRP C[NH+](C)CCOc1ccccc1C(=O)Nc1ccc(C[NH+](C)C)cc1F ZINC000412557566 499863202 /nfs/dbraw/zinc/86/32/02/499863202.db2.gz JHVJNNGRDOTLOL-UHFFFAOYSA-N 2 0 359.445 3.080 20 0 FGADRP [NH3+]C1CCC([NH2+][C@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)CC1 ZINC000415102094 499863631 /nfs/dbraw/zinc/86/36/31/499863631.db2.gz JHBUYKCPCRZYFR-JCYILVPMSA-N 2 0 369.431 3.056 20 0 FGADRP Cc1ccc(-c2ncc(C[NH+]3CCC([C@H]4OCCC[C@H]4[NH3+])CC3)s2)o1 ZINC000415100960 499863634 /nfs/dbraw/zinc/86/36/34/499863634.db2.gz BCZXOYLSSCGUJU-SJLPKXTDSA-N 2 0 361.511 3.430 20 0 FGADRP Cc1ccc(-c2ncc(C[NH+]3CCC([C@@H]4OCCC[C@@H]4[NH3+])CC3)s2)o1 ZINC000415100961 499863736 /nfs/dbraw/zinc/86/37/36/499863736.db2.gz BCZXOYLSSCGUJU-WMZOPIPTSA-N 2 0 361.511 3.430 20 0 FGADRP Cc1ccc(C[NH+]2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)cc1Br ZINC000415115742 499865745 /nfs/dbraw/zinc/86/57/45/499865745.db2.gz XHALGMDZHGSTEW-QZTJIDSGSA-N 2 0 367.331 3.476 20 0 FGADRP CCCOc1ccc(C[NH+]2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)cc1OC ZINC000415121380 499866101 /nfs/dbraw/zinc/86/61/01/499866101.db2.gz GYRDGYVZWVEQJV-GHTZIAJQSA-N 2 0 362.514 3.202 20 0 FGADRP COc1cc(C[NH+]2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)ccc1SC ZINC000415121492 499866309 /nfs/dbraw/zinc/86/63/09/499866309.db2.gz IEEDMWRRNWFNGC-IAGOWNOFSA-N 2 0 350.528 3.135 20 0 FGADRP CC(C)c1cnc(CNCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)s1 ZINC000415125474 499867014 /nfs/dbraw/zinc/86/70/14/499867014.db2.gz FBWPPDLCFBTYQB-UHFFFAOYSA-N 2 0 358.555 3.350 20 0 FGADRP CCOc1c(Cl)cccc1C[NH+]1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000415129588 499867757 /nfs/dbraw/zinc/86/77/57/499867757.db2.gz VFYVQWVQDSQRMU-AEFFLSMTSA-N 2 0 352.906 3.457 20 0 FGADRP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](Cc2cccc(OCC(F)(F)F)c2)CC1 ZINC000415130362 499867808 /nfs/dbraw/zinc/86/78/08/499867808.db2.gz QREOPLRJTFWMTA-MSOLQXFVSA-N 2 0 372.431 3.346 20 0 FGADRP [NH3+][C@@H]1CCO[C@H](C2CC[NH+](Cc3ccc(Br)cc3)CC2)C1 ZINC000415129551 499867844 /nfs/dbraw/zinc/86/78/44/499867844.db2.gz UYFQOISFZQNPAL-SJORKVTESA-N 2 0 353.304 3.167 20 0 FGADRP [NH3+]CC1(O)CC[NH+](C/C=C/c2ccc(OCc3ccccc3)cc2)CC1 ZINC000415147323 499870343 /nfs/dbraw/zinc/87/03/43/499870343.db2.gz HLYNDFVQLZOONW-QPJJXVBHSA-N 2 0 352.478 3.064 20 0 FGADRP CC[NH+]1CCN(c2ccccc2NC(=O)[C@@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000413091332 499912500 /nfs/dbraw/zinc/91/25/00/499912500.db2.gz CELUHUNFGSPBAC-FGTMMUONSA-N 2 0 358.530 3.028 20 0 FGADRP C[C@@H](C(=O)Nc1ccccc1CN1C[C@@H](C)O[C@H](C)C1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000413175220 499922744 /nfs/dbraw/zinc/92/27/44/499922744.db2.gz JOCZQSTXEQDQBN-ZRSRNVLSSA-N 2 0 373.541 3.496 20 0 FGADRP C[NH2+]Cc1ccccc1NC(=O)N[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000415898080 499925570 /nfs/dbraw/zinc/92/55/70/499925570.db2.gz GXGWXRJCRPGCGG-QFBILLFUSA-N 2 0 352.482 3.363 20 0 FGADRP C[NH2+]Cc1ccccc1NC(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000415901849 499926181 /nfs/dbraw/zinc/92/61/81/499926181.db2.gz NOEAZHUMZXGQPH-UHFFFAOYSA-N 2 0 352.482 3.324 20 0 FGADRP C[NH2+]Cc1ccccc1NC(=O)NCC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC000415906591 499926779 /nfs/dbraw/zinc/92/67/79/499926779.db2.gz XUDLMTSYHDBFKF-UHFFFAOYSA-N 2 0 366.509 3.364 20 0 FGADRP C[NH2+]Cc1ccccc1NC(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000415907695 499927187 /nfs/dbraw/zinc/92/71/87/499927187.db2.gz BUTUIQYRLVLQMY-SFHVURJKSA-N 2 0 358.530 3.382 20 0 FGADRP C[NH2+]Cc1ccccc1NC(=O)NCC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000415911787 499927559 /nfs/dbraw/zinc/92/75/59/499927559.db2.gz KAOBUXLMBOAQDA-QGZVFWFLSA-N 2 0 354.498 3.438 20 0 FGADRP C[NH2+]Cc1cccc(NC(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2)c1 ZINC000415919454 499928526 /nfs/dbraw/zinc/92/85/26/499928526.db2.gz NGSILFCYBNZPAW-UHFFFAOYSA-N 2 0 358.461 3.141 20 0 FGADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)Nc2ccc(OCC[NH3+])cc2)C1 ZINC000415938287 499930834 /nfs/dbraw/zinc/93/08/34/499930834.db2.gz OQLJRKVBSMDWLT-MRXNPFEDSA-N 2 0 362.518 3.046 20 0 FGADRP CC[NH2+]Cc1ccccc1NC(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000415944510 499931397 /nfs/dbraw/zinc/93/13/97/499931397.db2.gz PKONWYHWWRQMOZ-LJQANCHMSA-N 2 0 354.498 3.091 20 0 FGADRP C[N@H+](Cc1ccccc1)C1(CNC(=O)Nc2ccc(C[NH3+])cc2)CCC1 ZINC000415963963 499934438 /nfs/dbraw/zinc/93/44/38/499934438.db2.gz VODAKTWGZBKBNE-UHFFFAOYSA-N 2 0 352.482 3.322 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)Nc1ccc(C[NH3+])cc1)c1cccc(OC)c1 ZINC000415966451 499935068 /nfs/dbraw/zinc/93/50/68/499935068.db2.gz ZQKMWPSNFXBKNE-FQEVSTJZSA-N 2 0 370.497 3.359 20 0 FGADRP CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000415966567 499935080 /nfs/dbraw/zinc/93/50/80/499935080.db2.gz AHBQXPYAXIHZNX-LJQANCHMSA-N 2 0 352.482 3.131 20 0 FGADRP C[C@H]1CCN(C(=O)Nc2ccc(C[NH3+])cc2)CC[N@@H+]1Cc1ccccc1 ZINC000415971688 499935669 /nfs/dbraw/zinc/93/56/69/499935669.db2.gz GSBYBLLDRNOZSM-KRWDZBQOSA-N 2 0 352.482 3.274 20 0 FGADRP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)Nc2ccc3c(c2)C[NH2+]CCO3)C1 ZINC000415971450 499935725 /nfs/dbraw/zinc/93/57/25/499935725.db2.gz JTQFEPUSQVFYAB-IAGOWNOFSA-N 2 0 374.529 3.048 20 0 FGADRP CN(CCC[NH+]1CCCC1)C(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000415974725 499935865 /nfs/dbraw/zinc/93/58/65/499935865.db2.gz RYCJHRYRGRNNRB-UHFFFAOYSA-N 2 0 358.408 3.114 20 0 FGADRP CC1(C)CCC[N@H+](CCNC(=O)Nc2cc(C[NH3+])cc(C(F)(F)F)c2)C1 ZINC000415973009 499935995 /nfs/dbraw/zinc/93/59/95/499935995.db2.gz PNGWDGQLPBWQGA-UHFFFAOYSA-N 2 0 372.435 3.408 20 0 FGADRP CN(C(=O)Nc1ccc2c(c1)C[NH2+]C2)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000415996151 499939216 /nfs/dbraw/zinc/93/92/16/499939216.db2.gz MLVNDFXLWUGKSW-OAQYLSRUSA-N 2 0 364.493 3.418 20 0 FGADRP C[N@@H+]1CC[C@]2(CCN(CCc3cc(Cl)c4c(c3)OCCCO4)C2)C1 ZINC000429000443 499978214 /nfs/dbraw/zinc/97/82/14/499978214.db2.gz TZBNKWXZWVNYRM-IBGZPJMESA-N 2 0 350.890 3.071 20 0 FGADRP CC[C@@H](C(=O)Nc1nc2c(s1)C[N@@H+](C(C)(C)C)CC2)[NH+](CC)CC ZINC000425081634 500014081 /nfs/dbraw/zinc/01/40/81/500014081.db2.gz OALXZIPKLJBFAV-AWEZNQCLSA-N 2 0 352.548 3.359 20 0 FGADRP C[C@H]1CN(C(=O)c2cccc(C[N@H+](C)Cc3ccccc3)c2)CC[C@H]1[NH3+] ZINC000429192122 500022191 /nfs/dbraw/zinc/02/21/91/500022191.db2.gz ZGOFZFFCBLERKU-LAUBAEHRSA-N 2 0 351.494 3.128 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)NCC[C@H](C)[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000417294765 500031778 /nfs/dbraw/zinc/03/17/78/500031778.db2.gz ITHQHWKMNLYROS-XJKSGUPXSA-N 2 0 374.451 3.125 20 0 FGADRP C[C@@H](CCCC[NH3+])NC(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000417325593 500040530 /nfs/dbraw/zinc/04/05/30/500040530.db2.gz AACZUOHLXOUTPX-SFHVURJKSA-N 2 0 360.546 3.379 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(C)(C)C1(O)CCOCC1 ZINC000417384527 500055612 /nfs/dbraw/zinc/05/56/12/500055612.db2.gz QLBRCTPPIHMKRZ-QUCCMNQESA-N 2 0 360.542 3.054 20 0 FGADRP CS[C@@H]1CC[C@H]1[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000425375435 500089033 /nfs/dbraw/zinc/08/90/33/500089033.db2.gz ZOLVMHPCFYPRME-XUVXKRRUSA-N 2 0 360.567 3.399 20 0 FGADRP COC1(C[C@@H](C)[NH2+]CCCN2CC[NH+](Cc3ccccc3)CC2)CCC1 ZINC000429523180 500092796 /nfs/dbraw/zinc/09/27/96/500092796.db2.gz ZGGGHIYBQQEMOF-HXUWFJFHSA-N 2 0 359.558 3.132 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N1CC[C@@](C)(C[NH3+])C1)c1ccccc1Cl ZINC000416824859 500130386 /nfs/dbraw/zinc/13/03/86/500130386.db2.gz AGMTTYJHCVIFKM-MJGOQNOKSA-N 2 0 366.937 3.103 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)NCC[C@@H]1CC[NH2+]C1)c1ccccc1Cl ZINC000416839234 500134754 /nfs/dbraw/zinc/13/47/54/500134754.db2.gz JVEPSCGGOFLACC-YJBOKZPZSA-N 2 0 366.937 3.022 20 0 FGADRP [NH3+]C[C@H]1CC[C@H](CNC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000416883404 500147025 /nfs/dbraw/zinc/14/70/25/500147025.db2.gz BODBIMQLMKRSCL-WGSAOQKQSA-N 2 0 372.557 3.237 20 0 FGADRP CC[NH+](CC)Cc1ccc(CNC(=O)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000416894191 500149476 /nfs/dbraw/zinc/14/94/76/500149476.db2.gz YLJAIEIUGLTBIP-RTWAWAEBSA-N 2 0 372.557 3.060 20 0 FGADRP C[NH2+]CCC1CCN(C(=O)NC2CC[NH+]([C@H](C)c3ccccc3)CC2)CC1 ZINC000417687883 500149691 /nfs/dbraw/zinc/14/96/91/500149691.db2.gz IHGKSYNHYTWQBO-GOSISDBHSA-N 2 0 372.557 3.243 20 0 FGADRP C[C@H]([NH2+]C(C)(C)CNC(=O)NC[C@@H]([NH3+])c1ccccc1)c1ccccc1 ZINC000417698499 500151675 /nfs/dbraw/zinc/15/16/75/500151675.db2.gz GIVUOCJUFXPGCF-QFBILLFUSA-N 2 0 354.498 3.115 20 0 FGADRP C[C@H]([NH2+]C1(CNC(=O)N[C@@H](C)[C@@H]2CCC[NH2+]C2)CCCC1)c1ccccc1 ZINC000417700954 500152004 /nfs/dbraw/zinc/15/20/04/500152004.db2.gz JDQLCFFGIICTLA-CMKODMSKSA-N 2 0 372.557 3.337 20 0 FGADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000417734325 500159661 /nfs/dbraw/zinc/15/96/61/500159661.db2.gz KAXQTWPTNVHKNX-JZXOWHBKSA-N 2 0 366.575 3.146 20 0 FGADRP CC1CC[NH+](C[C@@H]2CCCN(Cc3ccccc3C(=O)N(C)C)C2)CC1 ZINC000417741902 500161756 /nfs/dbraw/zinc/16/17/56/500161756.db2.gz AYDGXSVWPKNXCA-IBGZPJMESA-N 2 0 357.542 3.332 20 0 FGADRP CCCN1C[C@H](C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)CC1=O ZINC000421848858 500163143 /nfs/dbraw/zinc/16/31/43/500163143.db2.gz AQEPIGTWLBCWDG-FNAHDJPLSA-N 2 0 369.553 3.278 20 0 FGADRP C[C@H](Cc1ccc(F)cc1Cl)[NH2+]C1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000421847097 500163207 /nfs/dbraw/zinc/16/32/07/500163207.db2.gz VYGWAPJBGFTKAK-ZNZDAUKMSA-N 2 0 354.897 3.378 20 0 FGADRP CC1CC[NH+](Cc2ccc(CNC(=O)NCCC3=CC[NH2+]CC3)cc2)CC1 ZINC000416969832 500170035 /nfs/dbraw/zinc/17/00/35/500170035.db2.gz CSNRUEABRULVQI-UHFFFAOYSA-N 2 0 370.541 3.028 20 0 FGADRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000416973193 500171323 /nfs/dbraw/zinc/17/13/23/500171323.db2.gz UIEYFDWTHKVYHE-NQIIRXRSSA-N 2 0 374.573 3.433 20 0 FGADRP C[C@@H]([NH3+])c1ccc(CNC(=O)NCC[C@H](C)[N@H+](C)Cc2ccccc2)cc1 ZINC000417811946 500177053 /nfs/dbraw/zinc/17/70/53/500177053.db2.gz KJTJWWKLHBMOFZ-ZWKOTPCHSA-N 2 0 368.525 3.416 20 0 FGADRP C[C@@H](CCCC[NH3+])NC(=O)NCc1ccccc1C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000416990511 500177278 /nfs/dbraw/zinc/17/72/78/500177278.db2.gz NFFGSOKIVAOCNR-QRVBRYPASA-N 2 0 374.573 3.481 20 0 FGADRP CCc1ccccc1[C@H]([NH3+])CNC(=O)c1ccccc1CC1CC[NH2+]CC1 ZINC000417833182 500180531 /nfs/dbraw/zinc/18/05/31/500180531.db2.gz LSHRKDZEFNSVJP-JOCHJYFZSA-N 2 0 365.521 3.221 20 0 FGADRP [NH3+]CCC[C@@H](NC(=O)c1ccc2c(ccn2CCC[NH3+])c1)c1ccccc1 ZINC000417845694 500182709 /nfs/dbraw/zinc/18/27/09/500182709.db2.gz XXVXBUNXOGHCPF-HXUWFJFHSA-N 2 0 364.493 3.200 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)NC[C@H]1CC[C@H](C[NH3+])CC1)c1ccsc1 ZINC000417011787 500183350 /nfs/dbraw/zinc/18/33/50/500183350.db2.gz UARATRBYAJETNJ-JFIYKMOQSA-N 2 0 366.575 3.195 20 0 FGADRP CCCC[N@H+](CC)Cc1cccc(CNC(=O)N2C[C@H](C[NH3+])C[C@@H]2C)c1 ZINC000417874486 500189429 /nfs/dbraw/zinc/18/94/29/500189429.db2.gz KLRLDQJJBLNAEG-PXNSSMCTSA-N 2 0 360.546 3.187 20 0 FGADRP CCCC[N@H+](CC)Cc1cccc(CNC(=O)N2CCC[C@H]([NH2+]C)C2)c1 ZINC000417881589 500190865 /nfs/dbraw/zinc/19/08/65/500190865.db2.gz RDPSMAKTTYHIKX-FQEVSTJZSA-N 2 0 360.546 3.202 20 0 FGADRP CCCC[N@H+](CC)Cc1cccc(CNC(=O)N2CCC[C@H]2C[NH2+]C)c1 ZINC000417890357 500193039 /nfs/dbraw/zinc/19/30/39/500193039.db2.gz ZFVPAWUKRKOBTE-FQEVSTJZSA-N 2 0 360.546 3.202 20 0 FGADRP CC(C)c1ccc([C@H]([NH3+])CNC(=O)NC2CCC(C[NH+](C)C)CC2)cc1 ZINC000417942842 500201608 /nfs/dbraw/zinc/20/16/08/500201608.db2.gz UGICKODPSOWKPF-RRWXTXHCSA-N 2 0 360.546 3.229 20 0 FGADRP CC(C)(C)NC(=O)C[NH+]1CCC(C[NH2+]C[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000417962364 500205348 /nfs/dbraw/zinc/20/53/48/500205348.db2.gz ONORQCWLOFYYBG-PMACEKPBSA-N 2 0 357.542 3.006 20 0 FGADRP CC(C)c1ccc(CC[NH2+]C2C[C@H]3CC[C@@H](C2)N3CC(=O)N(C)C)cc1 ZINC000570503815 506182349 /nfs/dbraw/zinc/18/23/49/506182349.db2.gz NLJUYIIHSHEYPB-SEJPIABJSA-N 2 0 357.542 3.026 20 0 FGADRP C[C@@H](C[NH2+][C@@H](C)CC(=O)Nc1ccc(OC(F)(F)F)cc1)C[NH+](C)C ZINC000425933793 500213707 /nfs/dbraw/zinc/21/37/07/500213707.db2.gz WVRSOKUNPSHODN-STQMWFEESA-N 2 0 361.408 3.090 20 0 FGADRP c1cc(C[N@@H+]2CCO[C@H]3CCC[C@H]32)ccc1C[NH+]1CCO[C@H]2CCC[C@H]21 ZINC000430277770 500220626 /nfs/dbraw/zinc/22/06/26/500220626.db2.gz GYIBUZSNDBSMOR-CZYKHXBRSA-N 2 0 356.510 3.193 20 0 FGADRP Clc1ccc(OC[C@H]2CCCO2)c(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC000579473135 506183679 /nfs/dbraw/zinc/18/36/79/506183679.db2.gz HXGQSMOLTRKODF-JTDSTZFVSA-N 2 0 364.917 3.329 20 0 FGADRP O=C(NCC[NH+]1CCCCC1)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000426155966 500242108 /nfs/dbraw/zinc/24/21/08/500242108.db2.gz CTAWWHUDSCEYBV-UHFFFAOYSA-N 2 0 374.529 3.159 20 0 FGADRP CCC[N@H+](C)[C@@H](CNC(=O)NC1(C)CC[NH2+]CC1)c1ccc(Cl)cc1 ZINC000418174566 500242393 /nfs/dbraw/zinc/24/23/93/500242393.db2.gz FGWCOXRPNCGJPP-KRWDZBQOSA-N 2 0 366.937 3.164 20 0 FGADRP Cc1ccccc1[C@H]([C@H](C)NC(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)[NH+](C)C ZINC000418186466 500244996 /nfs/dbraw/zinc/24/49/96/500244996.db2.gz RYRMMLXCMHUZMO-JTJHWIPRSA-N 2 0 372.557 3.017 20 0 FGADRP C[C@H](NC(=O)N[C@@H](CCC[NH3+])c1ccccc1)[C@@H](c1ccccc1)[NH+](C)C ZINC000418190129 500245966 /nfs/dbraw/zinc/24/59/66/500245966.db2.gz WBMGJUDWUPRXPN-YYWHXJBOSA-N 2 0 368.525 3.457 20 0 FGADRP CC[NH2+]CC1CC[NH+](CC(=O)N2CCC[C@H]2c2ccc(OCC)cc2)CC1 ZINC000430601226 500261174 /nfs/dbraw/zinc/26/11/74/500261174.db2.gz ZEMOBDNUBRVLEL-NRFANRHFSA-N 2 0 373.541 3.070 20 0 FGADRP CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000418355015 500267671 /nfs/dbraw/zinc/26/76/71/500267671.db2.gz FJGADPTVKXTTNO-TZIWHRDSSA-N 2 0 372.557 3.058 20 0 FGADRP [NH3+]CCCn1ccc2cc(C(=O)NCCCCC[NH+]3CCCCC3)ccc21 ZINC000430707022 500273054 /nfs/dbraw/zinc/27/30/54/500273054.db2.gz OSHULZXHESDMAM-UHFFFAOYSA-N 2 0 370.541 3.376 20 0 FGADRP [NH3+]C[C@H](NC(=O)N1CCC([NH+]2CCCC2)CC1)c1ccc2ccccc2c1 ZINC000418501307 500284817 /nfs/dbraw/zinc/28/48/17/500284817.db2.gz QRHATYXPLPLAFA-NRFANRHFSA-N 2 0 366.509 3.109 20 0 FGADRP C[C@@H]1C[C@H](C)[N@H+](CCC(=O)Nc2ccccc2Br)C[C@H]1C[NH3+] ZINC000422641161 500285544 /nfs/dbraw/zinc/28/55/44/500285544.db2.gz XGRFXSQQYLQSFP-HZSPNIEDSA-N 2 0 368.319 3.083 20 0 FGADRP COc1cccc(OC)c1Oc1ccc(C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])cn1 ZINC000422725858 500290080 /nfs/dbraw/zinc/29/00/80/500290080.db2.gz YUIKBXGQQIMWBB-DLBZAZTESA-N 2 0 371.481 3.498 20 0 FGADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+][C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000422720099 500290275 /nfs/dbraw/zinc/29/02/75/500290275.db2.gz ZNWYTFLHGJCIBJ-UKPHBRMFSA-N 2 0 352.320 3.006 20 0 FGADRP C[C@H](N[C@H]1C[C@@H]([NH3+])c2ccccc21)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000422741133 500292212 /nfs/dbraw/zinc/29/22/12/500292212.db2.gz ODONDSKXLQQEOF-RVHYNSKXSA-N 2 0 368.500 3.373 20 0 FGADRP C[C@H]([NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ccc(NC(N)=O)cc1 ZINC000422736290 500292601 /nfs/dbraw/zinc/29/26/01/500292601.db2.gz VUVLQNIODFKCJZ-DHUIEDIVSA-N 2 0 366.465 3.084 20 0 FGADRP COc1ccccc1[C@@H](C[NH2+][C@H](C)c1ccc(C[NH3+])nc1C)N1CCCC1 ZINC000422742412 500293239 /nfs/dbraw/zinc/29/32/39/500293239.db2.gz GHJOLKHOTOHPKG-IIBYNOLFSA-N 2 0 368.525 3.345 20 0 FGADRP CN(CCC[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ccccc1 ZINC000422758700 500294747 /nfs/dbraw/zinc/29/47/47/500294747.db2.gz KPCWEUSJYPULLC-IFMALSPDSA-N 2 0 351.494 3.358 20 0 FGADRP CN(C)[C@H](C[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1cccs1 ZINC000422772527 500296214 /nfs/dbraw/zinc/29/62/14/500296214.db2.gz YWVGWFRJIZTOLH-HLIPFELVSA-N 2 0 357.523 3.196 20 0 FGADRP CCOC(=O)C1([C@H](C)[NH2+]CC2(c3cccc(Cl)c3)CC2)CC[NH2+]CC1 ZINC000422774162 500296459 /nfs/dbraw/zinc/29/64/59/500296459.db2.gz VVPXRULSKKNIQC-HNNXBMFYSA-N 2 0 364.917 3.283 20 0 FGADRP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCc1ccn(-c2ccc(F)cc2)n1 ZINC000422779937 500296502 /nfs/dbraw/zinc/29/65/02/500296502.db2.gz CKEUGFHATZVXGM-IIBYNOLFSA-N 2 0 352.457 3.102 20 0 FGADRP CCOC(=O)C1([C@@H](C)[NH2+]CC[C@@H](C)c2ccc(OC)cc2)CC[NH2+]CC1 ZINC000422781623 500297600 /nfs/dbraw/zinc/29/76/00/500297600.db2.gz LUBVWCLEOCJCIG-IAGOWNOFSA-N 2 0 362.514 3.100 20 0 FGADRP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@H]2N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000422797815 500298860 /nfs/dbraw/zinc/29/88/60/500298860.db2.gz OOOYTYJOAOCRHY-SYYKKAFVSA-N 2 0 355.526 3.096 20 0 FGADRP Cc1cccc(N2CCN(CCC[NH2+][C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)CC2)c1 ZINC000422801437 500299712 /nfs/dbraw/zinc/29/97/12/500299712.db2.gz BXOCIZOHCNIGJN-DNVJHFABSA-N 2 0 370.585 3.017 20 0 FGADRP CN(C)[C@H](C[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ccsc1 ZINC000422809219 500300480 /nfs/dbraw/zinc/30/04/80/500300480.db2.gz RKBFLRSUIUNQIZ-NLWGTHIKSA-N 2 0 357.523 3.196 20 0 FGADRP C[C@@H]1C[N@@H+](Cc2ccc(C[NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)cc2)C[C@H](C)O1 ZINC000422810560 500301060 /nfs/dbraw/zinc/30/10/60/500301060.db2.gz NQJMWHOZQQUKID-HLSZOSTASA-N 3 0 371.569 3.306 20 0 FGADRP CCc1ccccc1[C@@H]([NH3+])CNC(=O)N(CC[NH+](C)C)Cc1cccs1 ZINC000418650896 500301065 /nfs/dbraw/zinc/30/10/65/500301065.db2.gz KZJPWHLFZMAPRQ-IBGZPJMESA-N 2 0 374.554 3.084 20 0 FGADRP CC[C@H](CN[C@@H](Cc1ccccc1)[C@@H](C)[NH3+])[N@@H+]1CCc2ccccc2C1 ZINC000422813416 500301407 /nfs/dbraw/zinc/30/14/07/500301407.db2.gz YCQCLGHTELJRDY-YSZBQJHXSA-N 2 0 351.538 3.371 20 0 FGADRP CCN(CC)[C@H](C[NH2+][C@H](C)c1ccc(C[NH3+])nc1C)Cc1ccccc1 ZINC000422831567 500303142 /nfs/dbraw/zinc/30/31/42/500303142.db2.gz JZCXYFCKVAWJNF-UTKZUKDTSA-N 2 0 354.542 3.452 20 0 FGADRP C[C@H](CCCC[NH3+])[NH2+]C[C@@H](c1ccc(C(F)(F)F)cc1)N1CCOCC1 ZINC000422847475 500305634 /nfs/dbraw/zinc/30/56/34/500305634.db2.gz IJIGMXZUZMWQJC-QAPCUYQASA-N 2 0 373.463 3.186 20 0 FGADRP Cc1cccc([C@H](C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)N2CCOCC2)c1 ZINC000422852166 500306058 /nfs/dbraw/zinc/30/60/58/500306058.db2.gz AEHFFJVAHVNKAB-GPJHCHHRSA-N 2 0 371.569 3.269 20 0 FGADRP COc1cc(C[NH+]2CCC3(CC[NH2+]C3)CC2)ccc1OCc1ccncc1 ZINC000430911316 500306124 /nfs/dbraw/zinc/30/61/24/500306124.db2.gz BNCZGDYSAQHEOW-UHFFFAOYSA-N 2 0 367.493 3.245 20 0 FGADRP CCCN(C(=O)N[C@@H](C)CCC[NH3+])[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000418694617 500309120 /nfs/dbraw/zinc/30/91/20/500309120.db2.gz WAOLXMUNMKOINO-ICSRJNTNSA-N 2 0 360.546 3.200 20 0 FGADRP C[C@H]([NH3+])[C@H](C)NC(=O)N(CC[N@H+](C)Cc1ccccc1)Cc1ccccc1 ZINC000418701412 500309858 /nfs/dbraw/zinc/30/98/58/500309858.db2.gz GGYQOPLZRFZDJF-OALUTQOASA-N 2 0 368.525 3.066 20 0 FGADRP C[NH2+]CC1CC[NH+](CC(=O)N(C)C(c2ccccc2)c2ccccc2)CC1 ZINC000430949645 500312333 /nfs/dbraw/zinc/31/23/33/500312333.db2.gz OGEJBKVNJHHCLC-UHFFFAOYSA-N 2 0 365.521 3.166 20 0 FGADRP CC[NH+](CC)CCOc1ccccc1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000422895621 500312347 /nfs/dbraw/zinc/31/23/47/500312347.db2.gz WJPBAXPNNCMMOU-PCCBWWKXSA-N 3 0 359.558 3.418 20 0 FGADRP CCOC(=O)C1([C@H](C)[NH2+]C[C@H]2CCCO[C@H]2c2ccccc2)CC[NH2+]CC1 ZINC000422908085 500314570 /nfs/dbraw/zinc/31/45/70/500314570.db2.gz XZJYDEHCBNFBRX-SXLOBPIMSA-N 2 0 374.525 3.065 20 0 FGADRP COc1ccc(Cl)cc1N1CC[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)C1 ZINC000422911863 500315532 /nfs/dbraw/zinc/31/55/32/500315532.db2.gz UPJACYFGNOZODP-BSDSXHPESA-N 2 0 363.933 3.438 20 0 FGADRP COc1ccc(Cl)cc1N1CC[C@H]([NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)C1 ZINC000422911864 500315726 /nfs/dbraw/zinc/31/57/26/500315726.db2.gz UPJACYFGNOZODP-WNRNVDISSA-N 2 0 363.933 3.438 20 0 FGADRP CCc1nc(CN2CCC(C[NH2+][C@H]3CCCCC[C@@H]3[NH3+])CC2)cs1 ZINC000422913539 500316150 /nfs/dbraw/zinc/31/61/50/500316150.db2.gz QDSATHUTDKCLHU-ROUUACIJSA-N 2 0 350.576 3.167 20 0 FGADRP CCOC(=O)COc1ccc(CC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)cc1 ZINC000422922440 500316880 /nfs/dbraw/zinc/31/68/80/500316880.db2.gz STBFNJGHXVEPIJ-NJDAHSKKSA-N 2 0 374.525 3.071 20 0 FGADRP C[C@@H]1C[C@@H](N(C)C(=O)NCCC[C@H]2CCC[NH2+]2)CC[N@@H+]1Cc1ccccc1 ZINC000418750131 500318116 /nfs/dbraw/zinc/31/81/16/500318116.db2.gz NNZRQVQOLIBXMN-NRSPTQNISA-N 2 0 372.557 3.213 20 0 FGADRP Clc1cc(CC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)cc2c1OCCO2 ZINC000422928419 500318445 /nfs/dbraw/zinc/31/84/45/500318445.db2.gz KMIOYUCCVXRUOU-DJIMGWMZSA-N 2 0 350.890 3.164 20 0 FGADRP C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)NCCC[C@@H]2CCC[NH2+]2)CC1 ZINC000418754993 500318667 /nfs/dbraw/zinc/31/86/67/500318667.db2.gz WWBGVDMQWXULFC-NRFANRHFSA-N 2 0 372.557 3.072 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)NCCC[C@H]2CCC[NH2+]2)CC1 ZINC000418763180 500320027 /nfs/dbraw/zinc/32/00/27/500320027.db2.gz HUOTWGOXBBZXCW-UYAOXDASSA-N 2 0 364.578 3.205 20 0 FGADRP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCOc1ccc(Br)cc1 ZINC000422938303 500320019 /nfs/dbraw/zinc/32/00/19/500320019.db2.gz DOECPBQEHLCQOI-KDOFPFPSSA-N 2 0 363.299 3.376 20 0 FGADRP COc1ccc(CC[NH+]2CCC(CC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)cc1 ZINC000426787500 500320588 /nfs/dbraw/zinc/32/05/88/500320588.db2.gz FGLPDSQHJZGPHZ-RTBURBONSA-N 2 0 360.542 3.449 20 0 FGADRP C[C@@H]([NH2+]C[C@@H]1CCN(c2ccc(Br)cc2)C1)[C@@H]1CCC[NH2+]1 ZINC000422942057 500320997 /nfs/dbraw/zinc/32/09/97/500320997.db2.gz JYOUBAGZYGRITE-KEYYUXOJSA-N 2 0 352.320 3.006 20 0 FGADRP Brc1ccc(OCC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000422951238 500322818 /nfs/dbraw/zinc/32/28/18/500322818.db2.gz ZYRGDRCATMVWQL-BBWFWOEESA-N 2 0 353.304 3.338 20 0 FGADRP Brc1ccc(OCC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000422951239 500322846 /nfs/dbraw/zinc/32/28/46/500322846.db2.gz ZYRGDRCATMVWQL-BRWVUGGUSA-N 2 0 353.304 3.338 20 0 FGADRP c1cc(COC2CCOCC2)ccc1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000422961988 500324867 /nfs/dbraw/zinc/32/48/67/500324867.db2.gz BLIZDWREQBOAIL-FDFHNCONSA-N 2 0 358.526 3.393 20 0 FGADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1ccc(N2CCc3ccccc3C2)nc1 ZINC000422972407 500325619 /nfs/dbraw/zinc/32/56/19/500325619.db2.gz LNBMCRKOHSDMRA-DYESRHJHSA-N 2 0 350.510 3.122 20 0 FGADRP CCOC(=O)C1([C@@H](C)[NH2+]Cc2cc(Cl)sc2Cl)CC[NH2+]CC1 ZINC000422984896 500327215 /nfs/dbraw/zinc/32/72/15/500327215.db2.gz BOBBHULKJXXAQO-SNVBAGLBSA-N 2 0 365.326 3.466 20 0 FGADRP CCC1(C[NH2+][C@@H]2CCOC[C@@H]2[C@@H](C)[NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000423004469 500329874 /nfs/dbraw/zinc/32/98/74/500329874.db2.gz PCWBDWNRMNTLLC-HMXCVIKNSA-N 3 0 359.558 3.021 20 0 FGADRP CCCCn1cc(C[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c(C)n1 ZINC000423018041 500332063 /nfs/dbraw/zinc/33/20/63/500332063.db2.gz PYIJPDIMTPXKTH-TZIWHRDSSA-N 2 0 354.498 3.337 20 0 FGADRP COc1cc(Br)ccc1CCC[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000423035487 500333846 /nfs/dbraw/zinc/33/38/46/500333846.db2.gz RNAXUCCYECTSDZ-ZBFHGGJFSA-N 2 0 355.320 3.497 20 0 FGADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]CCc1c[nH]c2cccc(Br)c12 ZINC000423119485 500344716 /nfs/dbraw/zinc/34/47/16/500344716.db2.gz CNWZLEPBYXPGJJ-WFASDCNBSA-N 2 0 350.304 3.451 20 0 FGADRP CC(C)c1nnc(CC[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)s1 ZINC000423123459 500345281 /nfs/dbraw/zinc/34/52/81/500345281.db2.gz DRVRTXRJNPLISH-KXBFYZLASA-N 2 0 358.511 3.050 20 0 FGADRP CCOC(=O)C1([C@@H](C)[NH2+][C@@H]2CCc3sc(Cl)cc32)CC[NH2+]CC1 ZINC000423127102 500345806 /nfs/dbraw/zinc/34/58/06/500345806.db2.gz SXXHSZYIYQWDHV-DGCLKSJQSA-N 2 0 356.919 3.300 20 0 FGADRP C[C@H](CCC[NH3+])[NH2+][C@H](Cc1ccc(F)cc1)[C@H]1COc2ccccc2O1 ZINC000423128520 500345884 /nfs/dbraw/zinc/34/58/84/500345884.db2.gz KTROSEDOHMMZCN-FQELHTAISA-N 2 0 358.457 3.294 20 0 FGADRP C[C@@H](CCCC[NH3+])[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000423129205 500346312 /nfs/dbraw/zinc/34/63/12/500346312.db2.gz FBFRYKHWYAANLT-PZJWPPBQSA-N 3 0 359.558 3.022 20 0 FGADRP OC[C@H](C[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ccccc1Cl ZINC000423134600 500347171 /nfs/dbraw/zinc/34/71/71/500347171.db2.gz XBQRPUJJKUWUSX-NYSBEXSLSA-N 2 0 372.896 3.261 20 0 FGADRP OC[C@H](C[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1ccccc1Cl ZINC000423134602 500347417 /nfs/dbraw/zinc/34/74/17/500347417.db2.gz XBQRPUJJKUWUSX-ZRCAFCQKSA-N 2 0 372.896 3.261 20 0 FGADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+][C@H]1CCc2nc(-c3ccc(F)cc3F)cn2C1 ZINC000423147505 500348384 /nfs/dbraw/zinc/34/83/84/500348384.db2.gz CPTQOELELJLIRV-QIIPPGSGSA-N 2 0 360.452 3.121 20 0 FGADRP O=C([C@@H]1CCC[N@@H+]1C1CC1)N1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000427056369 500348830 /nfs/dbraw/zinc/34/88/30/500348830.db2.gz FEZHTTZCZGIYEL-NNWRFLSQSA-N 2 0 367.537 3.126 20 0 FGADRP Clc1ccc(OCC[NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)cc1Cl ZINC000423154738 500349145 /nfs/dbraw/zinc/34/91/45/500349145.db2.gz IDCLPULLMKLTGK-KBRIMQKVSA-N 2 0 359.297 3.119 20 0 FGADRP Cc1c(Br)cccc1C[C@H](CO)C[NH2+][C@@H](C)CCCC[NH3+] ZINC000423168791 500350786 /nfs/dbraw/zinc/35/07/86/500350786.db2.gz YOZHRZFIDSOIEF-ZFWWWQNUSA-N 2 0 357.336 3.016 20 0 FGADRP C[C@H](Cc1ccccc1)[NH+]1CCC(NCCC[NH2+]Cc2cccnc2)CC1 ZINC000423183964 500352372 /nfs/dbraw/zinc/35/23/72/500352372.db2.gz HAYILGFTISHPKS-HXUWFJFHSA-N 2 0 366.553 3.247 20 0 FGADRP COc1ccccc1-c1ccc([C@@H](C)[NH2+]CCCN2CC[NH2+]CC2)cc1 ZINC000423182641 500352838 /nfs/dbraw/zinc/35/28/38/500352838.db2.gz QTFCELTWJGMTJJ-GOSISDBHSA-N 2 0 353.510 3.308 20 0 FGADRP Clc1cc(Br)cc(C[NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)c1 ZINC000423195370 500353847 /nfs/dbraw/zinc/35/38/47/500353847.db2.gz XVYKWQMMMJXHQS-BZUAXINKSA-N 2 0 373.722 3.349 20 0 FGADRP C[C@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1ccc(F)c(I)c1 ZINC000423206526 500354993 /nfs/dbraw/zinc/35/49/93/500354993.db2.gz GAMKNUFXNHFZKB-QWRGUYRKSA-N 2 0 362.230 3.081 20 0 FGADRP Cc1c([C@H](C)[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)nnn1-c1cccc(Cl)c1 ZINC000576577603 506191186 /nfs/dbraw/zinc/19/11/86/506191186.db2.gz VEEGFLLLHIPOJD-UYHISHBKSA-N 2 0 359.905 3.268 20 0 FGADRP C[C@@H]([NH3+])c1ccc(C[NH2+][C@@H](C)c2ccc(S(C)(=O)=O)c(F)c2)cc1 ZINC000423291049 500361736 /nfs/dbraw/zinc/36/17/36/500361736.db2.gz GLFRTVOUFSEGJH-OLZOCXBDSA-N 2 0 350.459 3.100 20 0 FGADRP Cc1ccccc1[C@H](CN1CCOCC1)[NH2+]Cc1ccc([C@H](C)[NH3+])cc1 ZINC000423290049 500361961 /nfs/dbraw/zinc/36/19/61/500361961.db2.gz CCRFCIFLGUPOBG-AVRDEDQJSA-N 2 0 353.510 3.178 20 0 FGADRP COc1ccc(Cc2nc(C)c([C@@H](C)[NH2+]C[C@@H](C)C[NH3+])s2)cc1OC ZINC000423296223 500362603 /nfs/dbraw/zinc/36/26/03/500362603.db2.gz GJQFHSAPFYXKOT-QWHCGFSZSA-N 2 0 363.527 3.305 20 0 FGADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000423363473 500367563 /nfs/dbraw/zinc/36/75/63/500367563.db2.gz JCXFGWRNXWHHFN-FKKBTLCVSA-N 2 0 351.485 3.311 20 0 FGADRP Cc1cc([C@H]([NH2+]C[C@@H](N2CC[NH2+]CC2)C(F)(F)F)C2CC2)ccc1F ZINC000423375157 500367963 /nfs/dbraw/zinc/36/79/63/500367963.db2.gz CWNMARMIZRTZAK-IAGOWNOFSA-N 2 0 359.411 3.011 20 0 FGADRP FC(F)(F)[C@@H](C[NH2+][C@H](c1cccs1)C1CCCC1)N1CC[NH2+]CC1 ZINC000423372804 500368063 /nfs/dbraw/zinc/36/80/63/500368063.db2.gz BJOZUPSUWIXDKU-CVEARBPZSA-N 2 0 361.477 3.405 20 0 FGADRP CSc1ccc([C@H](C)[NH2+]C[C@H](N2CC[NH2+]CC2)C(F)(F)F)cc1F ZINC000423379199 500368832 /nfs/dbraw/zinc/36/88/32/500368832.db2.gz GKCCXMGJKHNYKB-NHYWBVRUSA-N 2 0 365.440 3.034 20 0 FGADRP C[C@@H]([NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1cc2c(s1)CCCC2 ZINC000423385469 500369409 /nfs/dbraw/zinc/36/94/09/500369409.db2.gz KRZBMBNSILSBCF-WBMJQRKESA-N 2 0 361.477 3.114 20 0 FGADRP C[C@@H]([NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1cccc(C(F)(F)F)c1 ZINC000423392413 500369618 /nfs/dbraw/zinc/36/96/18/500369618.db2.gz QLGGCNPQMUWOMT-BXUZGUMPSA-N 2 0 369.353 3.192 20 0 FGADRP C[C@H]([NH3+])c1ccc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000423387641 500369744 /nfs/dbraw/zinc/36/97/44/500369744.db2.gz SSKABVRWLWIXHG-FIKGOQFSSA-N 2 0 351.494 3.489 20 0 FGADRP C[C@H](CCc1ccc(I)cc1)[NH2+][C@H]1CC[NH2+][C@H](C)C1 ZINC000423388075 500369864 /nfs/dbraw/zinc/36/98/64/500369864.db2.gz SXRDBLKNSCKRAF-IOASZLSFSA-N 2 0 372.294 3.342 20 0 FGADRP C[C@H]([NH2+]C[C@H]1CC[C@H](C[NH3+])CC1)c1ccc(OCc2nccn2C)cc1 ZINC000423416535 500373166 /nfs/dbraw/zinc/37/31/66/500373166.db2.gz CRRABRGNHNWOBI-BZSNNMDCSA-N 2 0 356.514 3.415 20 0 FGADRP COCCOc1ccc([C@@H](C)[NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)cc1OC ZINC000423417854 500373225 /nfs/dbraw/zinc/37/32/25/500373225.db2.gz GHAAZEICZRYCJK-BRWVUGGUSA-N 2 0 350.503 3.136 20 0 FGADRP C[C@H]([NH2+][C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)c1cc(Cl)cc(Cl)c1 ZINC000423452879 500375924 /nfs/dbraw/zinc/37/59/24/500375924.db2.gz KGWHUHPOPXJEDY-LSKLOWJMSA-N 2 0 370.324 3.291 20 0 FGADRP O=C(C[C@H]1CCC[NH2+]CC1)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000427297168 500379054 /nfs/dbraw/zinc/37/90/54/500379054.db2.gz YFDKUTLEHHWKOE-IBGZPJMESA-N 2 0 357.542 3.459 20 0 FGADRP COc1ccc([C@H](CNC(=O)C[C@@H]2CCC[NH2+]CC2)[NH+]2CCCCC2)cc1 ZINC000427298974 500379116 /nfs/dbraw/zinc/37/91/16/500379116.db2.gz IFFUHFBHQZRKDD-NQIIRXRSSA-N 2 0 373.541 3.118 20 0 FGADRP CC1(C)[C@H]([NH2+]C2CCC([NH+]3CCNCC3)CC2)C[C@H]1Oc1ccccc1 ZINC000423510314 500380476 /nfs/dbraw/zinc/38/04/76/500380476.db2.gz NLFOMOSLNOBHES-OWQMCBFZSA-N 2 0 357.542 3.039 20 0 FGADRP C[C@@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)c1cccc(Br)c1 ZINC000423524505 500381892 /nfs/dbraw/zinc/38/18/92/500381892.db2.gz XGDGPXXJZREXTK-RWBZWWBESA-N 2 0 366.347 3.316 20 0 FGADRP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H](N[C@@H]4C[NH2+]C[C@H]4c4ccccc4)[C@@H]3C2)cc1 ZINC000423525582 500382066 /nfs/dbraw/zinc/38/20/66/500382066.db2.gz KLWUUYBXMPDMDZ-OSFFKXSWSA-N 2 0 361.533 3.242 20 0 FGADRP CC[NH+](CC)[C@H](C(=O)N1CC[C@H]([NH3+])[C@H]1C)c1cccc(C(F)(F)F)c1 ZINC000423646319 500391895 /nfs/dbraw/zinc/39/18/95/500391895.db2.gz LTGLNJROWHEQEE-KCXAZCMYSA-N 2 0 357.420 3.036 20 0 FGADRP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]C[C@H]2CCOC(C)(C)C2)CC1 ZINC000419739099 500392090 /nfs/dbraw/zinc/39/20/90/500392090.db2.gz WDSLHZXHIMSPFU-INIZCTEOSA-N 2 0 365.949 3.387 20 0 FGADRP C[C@H](C(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)cc1)[C@@H]([NH3+])c1ccccc1 ZINC000423777844 500400822 /nfs/dbraw/zinc/40/08/22/500400822.db2.gz SJKBNBYPWCOZAT-ZOCIIQOWSA-N 2 0 359.901 3.395 20 0 FGADRP C[NH+](C)[C@@H](CC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000431656136 500404106 /nfs/dbraw/zinc/40/41/06/500404106.db2.gz VFRJZASMGLPTNL-RTWAWAEBSA-N 2 0 351.494 3.070 20 0 FGADRP CC(=O)NC1CCC([NH2+]CC[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC000427559395 500405556 /nfs/dbraw/zinc/40/55/56/500405556.db2.gz LZMNKTGQRALMQV-XALWFJFJSA-N 2 0 357.542 3.324 20 0 FGADRP CC[C@@H]1CN(C(=O)C[C@@H](C)[C@H]2CCC[NH2+]C2)CC[N@@H+]1Cc1ccccc1 ZINC000423831419 500408277 /nfs/dbraw/zinc/40/82/77/500408277.db2.gz WBCLPTKCEHDKCD-HLAWJBBLSA-N 2 0 357.542 3.135 20 0 FGADRP C[C@H](CC(=O)N[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)C1CC[NH2+]CC1 ZINC000423878448 500414991 /nfs/dbraw/zinc/41/49/91/500414991.db2.gz UMYCWVUEOMQPBS-LQWHRVPQSA-N 2 0 357.542 3.039 20 0 FGADRP CC[NH+](CC)C[C@H]1CCCC[C@@H]1NC(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000431773611 500422716 /nfs/dbraw/zinc/42/27/16/500422716.db2.gz WHAQVONWRJFJHU-QUCCMNQESA-N 2 0 364.578 3.061 20 0 FGADRP [NH3+]CCC[C@H](NC(=O)c1cccc(C[NH+]2CCCC2)c1)c1ccccc1 ZINC000423968798 500426210 /nfs/dbraw/zinc/42/62/10/500426210.db2.gz KRIVQTQDVTYZJD-NRFANRHFSA-N 2 0 351.494 3.492 20 0 FGADRP O=C([C@@H]1CCCC[N@@H+]1C1CCCC1)N1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000431845535 500433077 /nfs/dbraw/zinc/43/30/77/500433077.db2.gz OVGRWIWGKYZVMO-YYWHXJBOSA-N 2 0 359.558 3.259 20 0 FGADRP Cc1cccc(C)c1C(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000424017359 500437287 /nfs/dbraw/zinc/43/72/87/500437287.db2.gz GOMAMMUNVKLYHD-UHFFFAOYSA-N 2 0 351.494 3.027 20 0 FGADRP COc1ccc([C@@H](C[NH3+])C[N@@H+]2CC[C@@H](OCCCc3ccccc3)C2)cc1 ZINC000420307928 500438584 /nfs/dbraw/zinc/43/85/84/500438584.db2.gz RRVZBEURQMUYBO-JTHBVZDNSA-N 2 0 368.521 3.461 20 0 FGADRP COc1ccc(NC(=O)[C@H](c2ccccc2)N2C[C@H](C[NH3+])C[C@@H]2C)cc1 ZINC000420311467 500439210 /nfs/dbraw/zinc/43/92/10/500439210.db2.gz HCIQXLCTFJYJFO-FTRWYGJKSA-N 2 0 353.466 3.044 20 0 FGADRP COc1ccc([C@@H](C[NH3+])C[NH+]2CCC(C(=O)Nc3ccccc3)CC2)cc1 ZINC000420315244 500440066 /nfs/dbraw/zinc/44/00/66/500440066.db2.gz LKGCXWDLMCESHC-IBGZPJMESA-N 2 0 367.493 3.088 20 0 FGADRP C[C@@H](c1ccccc1Br)[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000420322531 500441956 /nfs/dbraw/zinc/44/19/56/500441956.db2.gz AIIPFDLEKFIBTO-VUCTXSBTSA-N 2 0 353.304 3.338 20 0 FGADRP C[C@H](C(=O)Nc1cccc2ccccc21)[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420330690 500442396 /nfs/dbraw/zinc/44/23/96/500442396.db2.gz BEMFHGNDUXRMJF-BHIYHBOVSA-N 2 0 351.494 3.488 20 0 FGADRP C[C@H](C1CC1)N(Cc1ccccc1)C(=O)C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000420337335 500443761 /nfs/dbraw/zinc/44/37/61/500443761.db2.gz JVLPENVAEHVOGW-XMSQKQJNSA-N 2 0 369.553 3.278 20 0 FGADRP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](CCCOc2ccc3ccccc3c2)CC1 ZINC000420342380 500444587 /nfs/dbraw/zinc/44/45/87/500444587.db2.gz VXHNTPWQYVASPF-YADHBBJMSA-N 2 0 354.494 3.437 20 0 FGADRP C[C@H](NC(=O)[C@H](C)[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1)c1ccc(Cl)cc1 ZINC000420342402 500445099 /nfs/dbraw/zinc/44/50/99/500445099.db2.gz PINZQJHCEYHOND-DOXZYTNZSA-N 2 0 363.933 3.370 20 0 FGADRP C[C@@H](C(=O)Nc1ccccc1C(F)(F)F)[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000420343901 500445752 /nfs/dbraw/zinc/44/57/52/500445752.db2.gz RQOQQGMRDDXGCT-XJKSGUPXSA-N 2 0 369.431 3.496 20 0 FGADRP O=C(CC[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)Nc1cccc2ccccc21 ZINC000420346980 500446154 /nfs/dbraw/zinc/44/61/54/500446154.db2.gz ZPJSQQMSTAYQJI-RBUKOAKNSA-N 2 0 351.494 3.490 20 0 FGADRP C[C@@H]1CC[N@H+](CCC(=O)N[C@@H](c2cccs2)c2ccccc2)C[C@@H]1C[NH3+] ZINC000420416288 500457703 /nfs/dbraw/zinc/45/77/03/500457703.db2.gz VRSMNUFMFPKUJJ-PLMTUMEDSA-N 2 0 371.550 3.261 20 0 FGADRP CC[NH+](CC)Cc1ccc(CNC(=O)NCC2CC[NH+](C3CC3)CC2)cc1 ZINC000428129359 500472933 /nfs/dbraw/zinc/47/29/33/500472933.db2.gz HHRWCDOEGBMGNR-UHFFFAOYSA-N 2 0 372.557 3.202 20 0 FGADRP C[C@H](C1CC1)N(Cc1ccccc1)C(=O)C[N@@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424284231 500481169 /nfs/dbraw/zinc/48/11/69/500481169.db2.gz DCWQSOAKKUMYRV-RTBURBONSA-N 2 0 369.553 3.278 20 0 FGADRP CCCN(Cc1ccc(C)cc1)C(=O)C[N@@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424289015 500481798 /nfs/dbraw/zinc/48/17/98/500481798.db2.gz LGAKHOHVPHNCHT-IBGZPJMESA-N 2 0 357.542 3.198 20 0 FGADRP C[C@@H](NC(=O)C[N@@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2)c1ccc2ccccc2c1 ZINC000424292130 500482522 /nfs/dbraw/zinc/48/25/22/500482522.db2.gz OCRPFMINDWNQRU-ZWKOTPCHSA-N 2 0 365.521 3.481 20 0 FGADRP COc1cc(Cl)c(C)cc1NC(=O)C[N@@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424302311 500483895 /nfs/dbraw/zinc/48/38/95/500483895.db2.gz ZENLGYSJKQAOPW-CQSZACIVSA-N 2 0 365.905 3.060 20 0 FGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H](C)c2ccc(OC)cc2Cl)CC1 ZINC000424309167 500484523 /nfs/dbraw/zinc/48/45/23/500484523.db2.gz HZOHQHAWEUNZHY-HZPDHXFCSA-N 2 0 353.938 3.273 20 0 FGADRP CCCNC(=O)CC[NH2+][C@@H]1CCCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000428231482 500484638 /nfs/dbraw/zinc/48/46/38/500484638.db2.gz WFYSKYQVDHSCOI-PWRODBHTSA-N 2 0 357.542 3.183 20 0 FGADRP CC[NH+](CC)CC1CC[NH+](Cc2ccc(CN3CCOCC3)cc2)CC1 ZINC000420902293 500526173 /nfs/dbraw/zinc/52/61/73/500526173.db2.gz MIYAMSRMKYMLDT-UHFFFAOYSA-N 2 0 359.558 3.073 20 0 FGADRP C[C@@H]1CCN(C(=O)NC2CCC([NH+](C)C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000420904574 500527107 /nfs/dbraw/zinc/52/71/07/500527107.db2.gz PUHOLOJVYHZYRE-KMFTYDHNSA-N 2 0 372.557 3.165 20 0 FGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]CCC2CCOCC2)CC1 ZINC000432785473 500563551 /nfs/dbraw/zinc/56/35/51/500563551.db2.gz UIAFXTBLQQPBDH-KRWDZBQOSA-N 2 0 363.521 3.435 20 0 FGADRP Cc1ccc(NC(=O)CC[N@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)nc1 ZINC000447345935 500594428 /nfs/dbraw/zinc/59/44/28/500594428.db2.gz SHRBXCMBEDJWRN-LJQANCHMSA-N 2 0 358.530 3.163 20 0 FGADRP Cc1cccc(CN2CCN(C(=O)c3sccc3C[NH+](C)C)CC2)c1 ZINC000447432567 500604949 /nfs/dbraw/zinc/60/49/49/500604949.db2.gz VNJYGVNSCNQIKB-UHFFFAOYSA-N 2 0 357.523 3.076 20 0 FGADRP O=C(CC[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2)N1CCCCC1 ZINC000433061958 500616602 /nfs/dbraw/zinc/61/66/02/500616602.db2.gz MRVCEXPXCBCAGS-UHFFFAOYSA-N 2 0 369.553 3.377 20 0 FGADRP [NH3+]C1CC[NH+](CCCC(=O)Nc2cccc(Oc3ccncc3)c2)CC1 ZINC000433119407 500630130 /nfs/dbraw/zinc/63/01/30/500630130.db2.gz VEORYVHDBOZWPV-UHFFFAOYSA-N 2 0 354.454 3.016 20 0 FGADRP [NH3+]C1CC[NH+](CCCC(=O)NC(c2cccs2)c2cccs2)CC1 ZINC000433130533 500632216 /nfs/dbraw/zinc/63/22/16/500632216.db2.gz AINNCYFXAQUYPS-UHFFFAOYSA-N 2 0 363.552 3.219 20 0 FGADRP C[N@@H+](Cc1cc(C(F)(F)F)n[nH]1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000442844970 500633964 /nfs/dbraw/zinc/63/39/64/500633964.db2.gz XCQYPMUEMNGYAD-UHFFFAOYSA-N 2 0 353.392 3.172 20 0 FGADRP CCC[C@@H](NC(=O)CCC[NH+]1CCC([NH3+])CC1)c1ccc(F)cc1F ZINC000433150286 500634738 /nfs/dbraw/zinc/63/47/38/500634738.db2.gz LJYOVRALLQZEIY-GOSISDBHSA-N 2 0 353.457 3.126 20 0 FGADRP Cc1ccc(-c2cccc(CNC(=O)CCC[NH+]3CCC([NH3+])CC3)c2)cc1 ZINC000433146882 500635399 /nfs/dbraw/zinc/63/53/99/500635399.db2.gz MUUKSKIHHIUMIU-UHFFFAOYSA-N 2 0 365.521 3.482 20 0 FGADRP CC(C)c1ccc(NC(=O)C[C@H](C)[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000442878613 500638990 /nfs/dbraw/zinc/63/89/90/500638990.db2.gz ZJJGRWAFISJUCL-SFHVURJKSA-N 2 0 374.573 3.143 20 0 FGADRP NC(=O)[C@@H](c1ccccc1)[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433180904 500640605 /nfs/dbraw/zinc/64/06/05/500640605.db2.gz WIQAAHJGAZQBGU-OAQYLSRUSA-N 2 0 363.505 3.201 20 0 FGADRP [NH3+]CC[C@H]1CCC[N@H+](Cc2nc(-c3ccc(C(F)(F)F)cc3)no2)C1 ZINC000443068432 500673363 /nfs/dbraw/zinc/67/33/63/500673363.db2.gz ICYDEVAZMQAYDN-GFCCVEGCSA-N 2 0 354.376 3.316 20 0 FGADRP [NH3+]C1CCC([NH2+]C2CCN(Cc3ccccc3Br)CC2)CC1 ZINC000437794922 500697102 /nfs/dbraw/zinc/69/71/02/500697102.db2.gz FRLHIYIUWAQPSC-UHFFFAOYSA-N 2 0 366.347 3.273 20 0 FGADRP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCCC[C@@H]2CCCc2ccccc2)CC1 ZINC000443640858 500748984 /nfs/dbraw/zinc/74/89/84/500748984.db2.gz OHDRRFHITRLLJQ-JOCHJYFZSA-N 2 0 371.569 3.464 20 0 FGADRP CC[C@@H]1CC[N@H+](CC(=O)NC[C@H](c2ccc(OC)cc2)[NH+]2CCCCC2)C1 ZINC000438509319 500794968 /nfs/dbraw/zinc/79/49/68/500794968.db2.gz OLAISKDSGYRVLI-WIYYLYMNSA-N 2 0 373.541 3.070 20 0 FGADRP CC[NH+](CC)CC1CC[NH+](CCC(=O)N2CCc3ccccc3C2)CC1 ZINC000444570165 500860647 /nfs/dbraw/zinc/86/06/47/500860647.db2.gz GZRNXSBXGQIJKP-UHFFFAOYSA-N 2 0 357.542 3.015 20 0 FGADRP C[C@H](CNC(=O)N(CC[NH+](C)C)Cc1cccs1)[N@@H+]1CCCC[C@@H]1C ZINC000439177350 500866529 /nfs/dbraw/zinc/86/65/29/500866529.db2.gz LEYIMLYOUWIEEI-DLBZAZTESA-N 2 0 366.575 3.084 20 0 FGADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@H]1CC[NH+]([C@H](C)c2ccccc2)C1 ZINC000439215965 500870889 /nfs/dbraw/zinc/87/08/89/500870889.db2.gz NUFWADJQUXYYQM-PMXSJFBMSA-N 2 0 370.541 3.090 20 0 FGADRP COc1cc(C[NH2+]C[C@@H](C(C)C)N2CC[NH+](C)CC2)cc2ccccc21 ZINC000449074682 500918040 /nfs/dbraw/zinc/91/80/40/500918040.db2.gz LOEICYYIEYPETL-NRFANRHFSA-N 2 0 355.526 3.210 20 0 FGADRP C[C@@H](C[NH2+]Cc1cccc(C[NH+](C)C)c1)c1ccc(S(C)(=O)=O)cc1 ZINC000449219778 500951308 /nfs/dbraw/zinc/95/13/08/500951308.db2.gz NZLVZIRVEVQUBG-INIZCTEOSA-N 2 0 360.523 3.045 20 0 FGADRP c1cc(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)n(C2CCCC2)n1 ZINC000449232576 500953172 /nfs/dbraw/zinc/95/31/72/500953172.db2.gz UVWLEBSYGHBDSN-UHFFFAOYSA-N 2 0 360.546 3.323 20 0 FGADRP CCO[C@@H]1C[C@H]([NH2+]C2CC[NH+]([C@H](C)Cc3ccccc3)CC2)[C@@]12CCCO2 ZINC000449237874 500954705 /nfs/dbraw/zinc/95/47/05/500954705.db2.gz PFBKUQBUSWSBMC-MSYGRNIXSA-N 2 0 372.553 3.398 20 0 FGADRP C[NH+]1CCN(CCC(C)(C)[NH2+]Cc2cccc(F)c2Br)CC1 ZINC000449247417 500956793 /nfs/dbraw/zinc/95/67/93/500956793.db2.gz GCZJSQZOXGFARK-UHFFFAOYSA-N 2 0 372.326 3.094 20 0 FGADRP C[C@@H]([NH3+])C1CC[NH+](Cc2cn(-c3ccccc3)nc2-c2ccncc2)CC1 ZINC000435373017 500961116 /nfs/dbraw/zinc/96/11/16/500961116.db2.gz CSFRNWVYDXNBMX-QGZVFWFLSA-N 2 0 361.493 3.494 20 0 FGADRP COc1cc(C[N@@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)ccc1OCc1ccncc1 ZINC000435378951 500963956 /nfs/dbraw/zinc/96/39/56/500963956.db2.gz KTGBLEXNEQOJGO-APWZRJJASA-N 2 0 355.482 3.228 20 0 FGADRP CCS(=O)(=O)c1c(Cl)cccc1CN1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000435386258 500964988 /nfs/dbraw/zinc/96/49/88/500964988.db2.gz TVULKZHVSHHOOX-QGZVFWFLSA-N 2 0 370.946 3.098 20 0 FGADRP C[NH2+]C[C@H]1CCN(Cc2cn(-c3ccccc3)nc2-c2ccc(C)o2)C1 ZINC000435384751 500965213 /nfs/dbraw/zinc/96/52/13/500965213.db2.gz OCTHJQZMQKMVHM-QGZVFWFLSA-N 2 0 350.466 3.482 20 0 FGADRP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3cn(-c4ccccc4)nc3-c3ccncc3)C[C@@H]12 ZINC000435388653 500966185 /nfs/dbraw/zinc/96/61/85/500966185.db2.gz IHNUVQOLCZVWPS-DUXKGJEZSA-N 2 0 359.477 3.103 20 0 FGADRP Cn1ccnc1CN(Cc1cc2cc(F)ccc2o1)[C@H]1CC12CC[NH2+]CC2 ZINC000435426534 500972315 /nfs/dbraw/zinc/97/23/15/500972315.db2.gz IMFIZANCZGIXCH-IBGZPJMESA-N 2 0 368.456 3.450 20 0 FGADRP C[N@H+](Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1)[C@H]1CCC[NH2+]CC1 ZINC000435436913 500976841 /nfs/dbraw/zinc/97/68/41/500976841.db2.gz IJDBPCSDVUTKJV-HNNXBMFYSA-N 2 0 352.404 3.465 20 0 FGADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N(Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000435562895 500992822 /nfs/dbraw/zinc/99/28/22/500992822.db2.gz JTYXHTORWCAZIB-JZXOWHBKSA-N 2 0 361.555 3.092 20 0 FGADRP CCN(CC(=O)Nc1ccc(C)cc1Br)[C@H]1CCC[NH2+]CC1 ZINC000435630150 501004593 /nfs/dbraw/zinc/00/45/93/501004593.db2.gz VVKZXDOYJJMFPE-AWEZNQCLSA-N 2 0 368.319 3.160 20 0 FGADRP CC[NH+]1CCN(c2ccccc2C[NH2+]C[C@H]2CCOC3(CCC3)C2)CC1 ZINC000449480756 501013518 /nfs/dbraw/zinc/01/35/18/501013518.db2.gz ZMXUXKQFWMQROU-IBGZPJMESA-N 2 0 357.542 3.267 20 0 FGADRP COC(=O)[C@@H]1CCCC[C@@H]1[NH2+]C1CC[NH+]([C@H](C)Cc2ccccc2)CC1 ZINC000449513784 501022449 /nfs/dbraw/zinc/02/24/49/501022449.db2.gz UGZWNSAEYUSCJJ-UIFIKXQLSA-N 2 0 358.526 3.403 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)[C@@]23CCC[C@@H]2C[NH2+]C3)cc1 ZINC000435894238 501042854 /nfs/dbraw/zinc/04/28/54/501042854.db2.gz UHTDECPQXNDGEW-NQSCKRDGSA-N 2 0 355.526 3.067 20 0 FGADRP C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)N2CCC[C@H]3C[NH2+]C[C@H]32)c1 ZINC000449735367 501071525 /nfs/dbraw/zinc/07/15/25/501071525.db2.gz QMQHPXPKXPLELG-FCHUYYIVSA-N 2 0 363.505 3.143 20 0 FGADRP C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)N[C@H]2CC[NH2+]C2(C)C)c1 ZINC000449748917 501074905 /nfs/dbraw/zinc/07/49/05/501074905.db2.gz DBXHJXBGSRBQIE-FQEVSTJZSA-N 2 0 351.494 3.189 20 0 FGADRP COc1cc(F)cc(C[C@@H](C)[NH2+]Cc2cn(-c3cc[nH+]cc3)nc2C)c1 ZINC000449779676 501085109 /nfs/dbraw/zinc/08/51/09/501085109.db2.gz DMMUHRUBVAOSQQ-CQSZACIVSA-N 2 0 354.429 3.444 20 0 FGADRP C[NH+](C)CCOc1ccccc1C[NH2+]Cc1c[nH]nc1-c1ccsc1 ZINC000436276698 501100320 /nfs/dbraw/zinc/10/03/20/501100320.db2.gz UJTQUJFMPDVNIZ-UHFFFAOYSA-N 2 0 356.495 3.368 20 0 FGADRP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2CCCOc1cccc(Cl)c1 ZINC000441189362 501100481 /nfs/dbraw/zinc/10/04/81/501100481.db2.gz OAVHOXITDIURDO-NZSAHSFTSA-N 2 0 352.906 3.292 20 0 FGADRP CC(C)Oc1ccc2[nH+]ccc(N3CC[NH+](C[C@@H]4CCOC4)CC3)c2c1 ZINC000450369501 501102486 /nfs/dbraw/zinc/10/24/86/501102486.db2.gz PSSKDRFXVTZRJI-KRWDZBQOSA-N 2 0 355.482 3.181 20 0 FGADRP CC(C[NH+]1CCC[C@H]([C@@H]2CCOC2)C1)C[N@@H+]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000441200280 501102640 /nfs/dbraw/zinc/10/26/40/501102640.db2.gz CCLDNAOGIFKIBI-FNAHDJPLSA-N 2 0 364.574 3.120 20 0 FGADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2CCOc1cccc2ccccc21 ZINC000441260057 501109802 /nfs/dbraw/zinc/10/98/02/501109802.db2.gz FKUPLLGMJBIPHZ-SYYKKAFVSA-N 2 0 354.494 3.402 20 0 FGADRP CCc1ccc2[nH+]ccc(N3CC[C@H]([NH+]4CCN(C)CC4)[C@@H](C)C3)c2c1 ZINC000450403511 501112742 /nfs/dbraw/zinc/11/27/42/501112742.db2.gz AXIXWNOLUBVYOJ-UWJYYQICSA-N 2 0 352.526 3.259 20 0 FGADRP C[N@@H+](CCC(=O)N[C@H]1CCCc2ccccc21)CC[C@H]1CCCC[NH+]1C ZINC000441367101 501128199 /nfs/dbraw/zinc/12/81/99/501128199.db2.gz GZCGHAOTPHNDTP-CTNGQTDRSA-N 2 0 357.542 3.377 20 0 FGADRP CCC(CC)[C@@H](CNC(=O)N(C)CC1([NH+](C)C)CCC1)[NH+]1CCCC1 ZINC000446587925 501138084 /nfs/dbraw/zinc/13/80/84/501138084.db2.gz WDKDGSJHBWTKDK-GOSISDBHSA-N 2 0 352.567 3.013 20 0 FGADRP COc1ccc([C@@H](CCn2cncn2)[NH2+]C[C@@H](C)C[NH+]2CCCCC2)cc1 ZINC000446744689 501160354 /nfs/dbraw/zinc/16/03/54/501160354.db2.gz KFPURUJPKSSHAC-WIYYLYMNSA-N 2 0 371.529 3.130 20 0 FGADRP O=C([C@@H]([NH2+]CC1CC[NH+](C2CC2)CC1)c1ccccc1)N1CCCCC1 ZINC000447027842 501195526 /nfs/dbraw/zinc/19/55/26/501195526.db2.gz MPDFPFHAOZPGMC-NRFANRHFSA-N 2 0 355.526 3.204 20 0 FGADRP CC1(C)OCC[C@@H]1[NH2+]Cc1ccc(F)c(C[NH2+][C@H]2CCOC2(C)C)c1 ZINC000451243120 501254539 /nfs/dbraw/zinc/25/45/39/501254539.db2.gz OXDCBXPQUHXLIC-ROUUACIJSA-N 2 0 350.478 3.140 20 0 FGADRP Cc1cccc(N2CC[NH+](CCCC[NH2+][C@H](C)c3ccncn3)CC2)c1 ZINC000453059580 501260707 /nfs/dbraw/zinc/26/07/07/501260707.db2.gz BJOPYUBHWGVMDI-LJQANCHMSA-N 2 0 353.514 3.038 20 0 FGADRP CC(C)[C@@H](C[NH2+][C@H](C)c1cc(-c2ccccc2)nn1C)N1CC[NH+](C)CC1 ZINC000453097835 501268245 /nfs/dbraw/zinc/26/82/45/501268245.db2.gz WKBCKHSQLXRNGJ-XMSQKQJNSA-N 2 0 369.557 3.010 20 0 FGADRP Cc1cc([C@H](C)[NH2+]CCCC[NH+]2CCN(c3ncccn3)CC2)cs1 ZINC000453105479 501270282 /nfs/dbraw/zinc/27/02/82/501270282.db2.gz HNIJRHLDOKIRJB-KRWDZBQOSA-N 2 0 359.543 3.100 20 0 FGADRP CC(C)[C@@H](CNC(=O)NC1CC[NH+](C2CCC2)CC1)[NH+]1CCCCCC1 ZINC000457635530 501273498 /nfs/dbraw/zinc/27/34/98/501273498.db2.gz YZDLOBBTDNRWER-HXUWFJFHSA-N 2 0 364.578 3.203 20 0 FGADRP CC[C@H]([NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1)c1ccsc1 ZINC000453133860 501275686 /nfs/dbraw/zinc/27/56/86/501275686.db2.gz RTOOCOHFVKNWBA-KRWDZBQOSA-N 2 0 351.560 3.416 20 0 FGADRP CCn1ccnc1[C@H](C)NC(=O)NC[C@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC000455482156 501314686 /nfs/dbraw/zinc/31/46/86/501314686.db2.gz XJSJVVDOKDJNAC-PKOBYXMFSA-N 2 0 369.513 3.409 20 0 FGADRP Cc1ncccc1NC(=O)[C@H](C)[NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000453414465 501326780 /nfs/dbraw/zinc/32/67/80/501326780.db2.gz BCXQDIZTEJLVDR-RDJZCZTQSA-N 2 0 370.497 3.008 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)[C@H](C)CN1C(=O)NCCCC[NH+](C)C1CC1 ZINC000455626468 501350780 /nfs/dbraw/zinc/35/07/80/501350780.db2.gz YKNDBIFRXBMCGA-RTBURBONSA-N 2 0 372.557 3.165 20 0 FGADRP CC[C@H](C)c1ccc(NC(=O)C[NH2+]C(C)(C)CN2CC[NH+](CC)CC2)cc1 ZINC000451987474 501414641 /nfs/dbraw/zinc/41/46/41/501414641.db2.gz ONNMDWQXKXABRR-SFHVURJKSA-N 2 0 374.573 3.144 20 0 FGADRP CC[NH+]1CCN(CC(C)(C)[NH2+]CC(=O)Nc2c(C)cccc2C(C)C)CC1 ZINC000451997332 501415290 /nfs/dbraw/zinc/41/52/90/501415290.db2.gz ZCRYUICIWBYRBU-UHFFFAOYSA-N 2 0 374.573 3.063 20 0 FGADRP C[NH+](C)[C@@H]1CCc2cc(NC(=O)N3CC[C@H](C[NH+]4CCCC4)C3)ccc21 ZINC000455934017 501420074 /nfs/dbraw/zinc/42/00/74/501420074.db2.gz RBNUXULJCGBJJZ-OXQOHEQNSA-N 2 0 356.514 3.185 20 0 FGADRP C[C@@H]1C[C@@H](NC(=O)NC(C)(C)C[NH+]2CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000458481505 501454438 /nfs/dbraw/zinc/45/44/38/501454438.db2.gz DADXPDMJFQDFKR-QUCCMNQESA-N 2 0 372.557 3.213 20 0 FGADRP CC(C)C[C@@H](CNC(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1)[NH2+][C@@H](C)c1ccccc1 ZINC000458555127 501473342 /nfs/dbraw/zinc/47/33/42/501473342.db2.gz LZPFAAHULZYSNT-ZIBCJSCZSA-N 2 0 372.557 3.097 20 0 FGADRP CCn1ccnc1[C@@H](C)NC(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000454255743 501493508 /nfs/dbraw/zinc/49/35/08/501493508.db2.gz WOOAFQANWKVWLJ-MRXNPFEDSA-N 2 0 355.486 3.059 20 0 FGADRP CC(C)[N@H+](C)CC(=O)N1CC(C)(C)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000452454622 501504013 /nfs/dbraw/zinc/50/40/13/501504013.db2.gz VELJJDZDAIOMLH-QFIPXVFZSA-N 2 0 371.569 3.476 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)NC2CC[NH+](C3CCC3)CC2)C1 ZINC000454316952 501511883 /nfs/dbraw/zinc/51/18/83/501511883.db2.gz HWRPUZXWUBULDE-HDICACEKSA-N 2 0 364.578 3.061 20 0 FGADRP Cc1ccccc1[C@H]([C@@H](C)NC(=O)N1CC[N@@H+](C2CC2)C[C@@H](C)C1)[NH+](C)C ZINC000458763176 501525878 /nfs/dbraw/zinc/52/58/78/501525878.db2.gz IIQOAELESJXOOA-BLIXFSHQSA-N 2 0 372.557 3.112 20 0 FGADRP C[C@@H]1C[C@@H](NC(=O)N2CC[NH+](C(C)(C)CC(C)(C)C)CC2)CC[N@@H+]1C ZINC000454646026 501600243 /nfs/dbraw/zinc/60/02/43/501600243.db2.gz PIZAEXDZFVMQPG-SJORKVTESA-N 2 0 352.567 3.011 20 0 FGADRP CCN(C(=O)NCCCC[NH+](C)C1CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000459167018 501607281 /nfs/dbraw/zinc/60/72/81/501607281.db2.gz UCMWTMODWQDELQ-OAQYLSRUSA-N 2 0 372.557 3.167 20 0 FGADRP C[N@@H+]1CCC[C@H](CCNC(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)C1 ZINC000459268273 501622228 /nfs/dbraw/zinc/62/22/28/501622228.db2.gz SBFJJYOAUXXWHQ-UXHICEINSA-N 2 0 364.578 3.016 20 0 FGADRP C[N@@H+]1CCC[C@@H](CCNC(=O)NC(C)(C)CC[NH+]2CCCCCC2)C1 ZINC000459327849 501631659 /nfs/dbraw/zinc/63/16/59/501631659.db2.gz XVCKWPQJIQBOHJ-SFHVURJKSA-N 2 0 352.567 3.062 20 0 FGADRP COc1cc([C@H](C)[NH2+]C2CCN(c3cc[nH+]cc3)CC2)cc(OC)c1OC ZINC000459371031 501641254 /nfs/dbraw/zinc/64/12/54/501641254.db2.gz HXQHKAFLLFQBNU-HNNXBMFYSA-N 2 0 371.481 3.427 20 0 FGADRP C[C@@H]1CN(c2ccccc2C[NH2+]Cc2ccc(C[NH+](C)C)c(F)c2)CCO1 ZINC000459455988 501656967 /nfs/dbraw/zinc/65/69/67/501656967.db2.gz DLTMOJFVCGYBGU-QGZVFWFLSA-N 2 0 371.500 3.402 20 0 FGADRP CC(C)[N@@H+]1CCc2nc(CN3CC([NH+](C)Cc4ccccc4)C3)sc2C1 ZINC000459597588 501684028 /nfs/dbraw/zinc/68/40/28/501684028.db2.gz VJXWFLHOACJSOJ-UHFFFAOYSA-N 2 0 370.566 3.226 20 0 FGADRP O=C(NCCCCC[NH+]1CCCC1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000455112585 501690128 /nfs/dbraw/zinc/69/01/28/501690128.db2.gz JMSQUCFZFJOSNQ-UHFFFAOYSA-N 2 0 372.557 3.348 20 0 FGADRP CC[NH+]1CCN(c2ccccc2C[NH2+][C@@H]2Cc3cccc(OC)c3C2)CC1 ZINC000459701138 501700933 /nfs/dbraw/zinc/70/09/33/501700933.db2.gz NANFIWVIKGSXHF-HXUWFJFHSA-N 2 0 365.521 3.094 20 0 FGADRP C[N@@H+]1CCC[C@@H](CC[NH2+]Cc2cc(Br)c3c(c2)OCCO3)C1 ZINC000459738336 501706641 /nfs/dbraw/zinc/70/66/41/501706641.db2.gz RQKKARYZFHSBRC-ZDUSSCGKSA-N 2 0 369.303 3.042 20 0 FGADRP C[N@H+](CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)C1CC(C)(C)C1 ZINC000459744459 501707551 /nfs/dbraw/zinc/70/75/51/501707551.db2.gz RKFJWGWWMNHWBQ-UHFFFAOYSA-N 2 0 361.555 3.294 20 0 FGADRP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)C1 ZINC000457500241 501711703 /nfs/dbraw/zinc/71/17/03/501711703.db2.gz XHJXBWHNIDUNOL-DLBZAZTESA-N 2 0 364.559 3.009 20 0 FGADRP CC[NH+](CC)Cc1ccc(CNC(=O)c2ccc3c(c2)CC[NH2+]CC3)cc1 ZINC000474293248 501779015 /nfs/dbraw/zinc/77/90/15/501779015.db2.gz QQTOKHGWNCIVGG-UHFFFAOYSA-N 2 0 365.521 3.147 20 0 FGADRP C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+]C[C@H](O)C[NH+]1CCC(C)CC1 ZINC000467368706 501779259 /nfs/dbraw/zinc/77/92/59/501779259.db2.gz IKENFDVQTIEHDN-QAPCUYQASA-N 2 0 358.448 3.319 20 0 FGADRP CC(C)[N@H+](C)Cc1cccc(CNC(=O)c2ccc3c(c2)CC[NH2+]CC3)c1 ZINC000474306437 501784799 /nfs/dbraw/zinc/78/47/99/501784799.db2.gz QWAYNVUOWPDUAU-UHFFFAOYSA-N 2 0 365.521 3.145 20 0 FGADRP Cc1ccc([C@H](C)[N@H+](C)CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)cc1 ZINC000460382869 501809971 /nfs/dbraw/zinc/80/99/71/501809971.db2.gz VJPKKQPMZDOYGX-RXVVDRJESA-N 2 0 353.510 3.407 20 0 FGADRP CC(C)[C@H](C)NC(=O)C[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000485473342 501831119 /nfs/dbraw/zinc/83/11/19/501831119.db2.gz GNEFRLHYBPITAZ-IBGZPJMESA-N 2 0 357.542 3.135 20 0 FGADRP C[C@H]1[C@@H](NC(=O)NC(C)(C)CCC[NH+](C)C)CC[N@@H+]1Cc1ccccc1 ZINC000458776451 501869927 /nfs/dbraw/zinc/86/99/27/501869927.db2.gz NLTSJHTXULOFDN-HKUYNNGSSA-N 2 0 360.546 3.069 20 0 FGADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@@H]1C[C@@]12CCCc1ccccc12 ZINC000478082217 501876311 /nfs/dbraw/zinc/87/63/11/501876311.db2.gz FXYZEVGKLSHRBY-JTHBVZDNSA-N 2 0 371.569 3.013 20 0 FGADRP C[C@H]([NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1)c1ccc(F)c(F)c1 ZINC000467842675 501889361 /nfs/dbraw/zinc/88/93/61/501889361.db2.gz RJDNUZNCIIVNAM-INIZCTEOSA-N 2 0 360.452 3.223 20 0 FGADRP CC(C)[N@H+](C)Cc1cccc(C[NH2+]Cc2cnc(-c3cnn(C)c3)nc2)c1 ZINC000474619188 501897027 /nfs/dbraw/zinc/89/70/27/501897027.db2.gz DKXKPACFADWCRU-UHFFFAOYSA-N 2 0 364.497 3.007 20 0 FGADRP C[C@H](Cc1ccccc1C(F)(F)F)[NH2+]CC1CC[NH+](CCN(C)C)CC1 ZINC000481922899 501920585 /nfs/dbraw/zinc/92/05/85/501920585.db2.gz ODUIIKRQOJDINB-MRXNPFEDSA-N 2 0 371.491 3.500 20 0 FGADRP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1)[C@H](C)c1nc2ccccc2s1 ZINC000474730583 501936021 /nfs/dbraw/zinc/93/60/21/501936021.db2.gz SCHRBPALCOFRMP-YESZJQIVSA-N 2 0 361.555 3.471 20 0 FGADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)c2cc([C@H]3CC[NH2+]C3)[nH]n2)cc1 ZINC000485787947 501937086 /nfs/dbraw/zinc/93/70/86/501937086.db2.gz QQVVJCACVGHVAW-RDJZCZTQSA-N 2 0 367.497 3.113 20 0 FGADRP O[C@H]1CC[N@H+](Cc2ccccc2C[NH2+][C@@H](c2cccnc2)C2CCC2)C1 ZINC000481995836 501939887 /nfs/dbraw/zinc/93/98/87/501939887.db2.gz XOOBCOOFZMMNDA-FCHUYYIVSA-N 2 0 351.494 3.279 20 0 FGADRP C[C@@H]([NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1)C1C(C)(C)C1(C)C ZINC000474810550 501960650 /nfs/dbraw/zinc/96/06/50/501960650.db2.gz PHJSBIXTOYFNFL-OAHLLOKOSA-N 2 0 351.579 3.273 20 0 FGADRP CC(C)(CNC(=O)NC1CC[NH+](Cc2ccccc2)CC1)C[NH+]1CCCC1 ZINC000478414018 501973766 /nfs/dbraw/zinc/97/37/66/501973766.db2.gz SZXHOWMPQMZFON-UHFFFAOYSA-N 2 0 372.557 3.072 20 0 FGADRP COc1ccnc(CN2C[C@@H](C)[N@H+](Cc3ccccc3)C[C@H]2C)c1OC ZINC000474978856 502010045 /nfs/dbraw/zinc/01/00/45/502010045.db2.gz NKOCNIVYTQQYRH-IAGOWNOFSA-N 2 0 355.482 3.194 20 0 FGADRP COc1ccnc(CN2C[C@H](C)[N@H+](Cc3ccccc3)C[C@H]2C)c1OC ZINC000474978855 502010154 /nfs/dbraw/zinc/01/01/54/502010154.db2.gz NKOCNIVYTQQYRH-DLBZAZTESA-N 2 0 355.482 3.194 20 0 FGADRP C[C@@H]1[C@H](c2ccccc2)CC[N@@H+]1CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000475037622 502030847 /nfs/dbraw/zinc/03/08/47/502030847.db2.gz FSROFTIZVCCJCZ-STZQEDGTSA-N 2 0 365.521 3.284 20 0 FGADRP Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]CCOCC[NH+](C)C)o1 ZINC000471550664 502061794 /nfs/dbraw/zinc/06/17/94/502061794.db2.gz JRIXNWHAEWGJTL-UHFFFAOYSA-N 2 0 368.481 3.109 20 0 FGADRP C[C@H](CNC(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCCC[C@H]1C ZINC000471615276 502088688 /nfs/dbraw/zinc/08/86/88/502088688.db2.gz QRMNGGYALXWZIX-SBHAEUEKSA-N 2 0 372.557 3.071 20 0 FGADRP C[C@@H]([NH2+]C1(CNC(=O)CC2CC[NH+](C)CC2)CCCC1)c1ccccc1 ZINC000486248105 502098707 /nfs/dbraw/zinc/09/87/07/502098707.db2.gz CFKPEDFKBMKWTR-GOSISDBHSA-N 2 0 357.542 3.498 20 0 FGADRP CCCC[C@@H](COC)[NH2+][C@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000482539346 502105515 /nfs/dbraw/zinc/10/55/15/502105515.db2.gz BWTJXADSDOFTQD-AEFFLSMTSA-N 2 0 351.510 3.433 20 0 FGADRP C[C@H](C(=O)N1C[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000461429405 502111113 /nfs/dbraw/zinc/11/11/13/502111113.db2.gz OAKJDMQRUKKGOE-NJKFVAIMSA-N 2 0 369.553 3.228 20 0 FGADRP CCC[N@H+](CC)C[C@H](C)NC(=O)c1ccc(C[NH+]2CCSCC2)cc1 ZINC000461543421 502141234 /nfs/dbraw/zinc/14/12/34/502141234.db2.gz CHQQQBLQDFKJGR-KRWDZBQOSA-N 2 0 363.571 3.086 20 0 FGADRP CCc1ccc([C@@H](CNC(=O)N(CC)CCC[NH+]2CCCC2)[NH+](C)C)cc1 ZINC000471835805 502150143 /nfs/dbraw/zinc/15/01/43/502150143.db2.gz QLPNZKXKPKXMJF-OAQYLSRUSA-N 2 0 374.573 3.369 20 0 FGADRP C[C@@H](C[NH+]1CCCCCC1)NC(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000482740263 502165989 /nfs/dbraw/zinc/16/59/89/502165989.db2.gz IDHDCJZUXIOPQE-MOPGFXCFSA-N 2 0 352.567 3.062 20 0 FGADRP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000461716690 502176723 /nfs/dbraw/zinc/17/67/23/502176723.db2.gz QBPYJMQNMIYXTR-LJQANCHMSA-N 2 0 372.557 3.167 20 0 FGADRP Cc1ccc([C@H](CNC(=O)[C@@H](C[NH3+])c2ccc(F)cc2)[NH+]2CCCC2)cc1 ZINC000479205371 502192680 /nfs/dbraw/zinc/19/26/80/502192680.db2.gz LECKGYPFRVVAQW-SFTDATJTSA-N 2 0 369.484 3.130 20 0 FGADRP C[C@@H]1C[C@H](NC(=O)[C@H](C[NH3+])c2ccc(F)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000479207209 502192948 /nfs/dbraw/zinc/19/29/48/502192948.db2.gz IQYPZPDEMRRHKF-MAODMQOUSA-N 2 0 369.484 3.037 20 0 FGADRP CCCC[N@H+](C)C[C@H](C)NC(=O)N(C)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000461790082 502201455 /nfs/dbraw/zinc/20/14/55/502201455.db2.gz GYVYOEMTVVTZPL-AZUAARDMSA-N 2 0 360.546 3.023 20 0 FGADRP CCN(CCC[NH+](C)C)C(=O)NC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000468890283 502219192 /nfs/dbraw/zinc/21/91/92/502219192.db2.gz HRIVQJZFJIWHCW-OAQYLSRUSA-N 2 0 360.546 3.024 20 0 FGADRP O=C(NCC[NH+]1CCCC1)c1ccc(C[NH2+]C2CCC3(CC3)CC2)cc1 ZINC000486698198 502234512 /nfs/dbraw/zinc/23/45/12/502234512.db2.gz HIQMAPCBKSSJRF-UHFFFAOYSA-N 2 0 355.526 3.325 20 0 FGADRP CCN(CCC[NH+]1CCCC1)C(=O)NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000472115259 502237539 /nfs/dbraw/zinc/23/75/39/502237539.db2.gz MBFVZNJPNCKCRY-WOJBJXKFSA-N 2 0 366.594 3.262 20 0 FGADRP COc1ccsc1[C@@H](C)[NH2+]CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000472134416 502243474 /nfs/dbraw/zinc/24/34/74/502243474.db2.gz JYKIUCARFPMINJ-QGZVFWFLSA-N 2 0 359.539 3.225 20 0 FGADRP CCCN(CC[NH+](CC)CC)C(=O)N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000461936882 502244118 /nfs/dbraw/zinc/24/41/18/502244118.db2.gz ONFLWYKSLUVRIX-OALUTQOASA-N 2 0 366.594 3.403 20 0 FGADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)N(CC[NH+](C)C)CC2CCCCC2)C1 ZINC000465396176 502249312 /nfs/dbraw/zinc/24/93/12/502249312.db2.gz DCTYJHHNIWBLLZ-HXUWFJFHSA-N 2 0 366.594 3.118 20 0 FGADRP O=C([C@H]1CCCC[N@@H+]1Cc1ccccc1)N1CC[NH+](C2CCCC2)CC1 ZINC000462023867 502278506 /nfs/dbraw/zinc/27/85/06/502278506.db2.gz AVZWDPPCAWYDLX-OAQYLSRUSA-N 2 0 355.526 3.128 20 0 FGADRP Cc1cc2[nH]c(C[NH2+]Cc3cccnc3N3CC[NH+](C)CC3)cc2c(C)c1 ZINC000479533478 502288830 /nfs/dbraw/zinc/28/88/30/502288830.db2.gz SCZNOCVLAKWUIC-UHFFFAOYSA-N 2 0 363.509 3.221 20 0 FGADRP CCCc1cccc(C[NH2+]Cc2ccc(N3CC[NH+](CC)CC3)nc2)c1 ZINC000479564314 502298093 /nfs/dbraw/zinc/29/80/93/502298093.db2.gz GAMMLEGTHPCONL-UHFFFAOYSA-N 2 0 352.526 3.466 20 0 FGADRP CC1CC[NH+](Cc2ccc(CNC(=O)N[C@H]3CC[N@H+](C)[C@@H](C)C3)cc2)CC1 ZINC000465555470 502306526 /nfs/dbraw/zinc/30/65/26/502306526.db2.gz XKTCWXXKYBJZBL-RXVVDRJESA-N 2 0 372.557 3.200 20 0 FGADRP C[N@@H+]1CCN(CCC[NH2+]C/C=C/c2ccncc2)[C@@H](c2ccccc2)C1 ZINC000486930009 502307270 /nfs/dbraw/zinc/30/72/70/502307270.db2.gz QNLVLKCLCRBZAQ-YHCZKZFASA-N 2 0 350.510 3.063 20 0 FGADRP CC1CC[NH+](Cc2ccccc2CNC(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000465575865 502312983 /nfs/dbraw/zinc/31/29/83/502312983.db2.gz QXRRYPNKXUZCFB-WIYYLYMNSA-N 2 0 372.557 3.200 20 0 FGADRP C[C@H]1C[C@H](C)C[NH+](CCCC[NH2+]Cc2c(Br)cnn2C)C1 ZINC000486966745 502319116 /nfs/dbraw/zinc/31/91/16/502319116.db2.gz LSBHIQKPOHLNST-KBPBESRZSA-N 2 0 357.340 3.030 20 0 FGADRP CC[C@@H]1CCCC[C@@H]1NC(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@@H+]1CC ZINC000465669272 502341655 /nfs/dbraw/zinc/34/16/55/502341655.db2.gz WJUSKEUDBXWUAU-QYZOEREBSA-N 2 0 352.567 3.013 20 0 FGADRP O=C(NC[C@@H]1CCC[N@H+](CCC2CC[NH2+]CC2)C1)Nc1cccc(F)c1 ZINC000479699728 502348543 /nfs/dbraw/zinc/34/85/43/502348543.db2.gz KXDMFQQAUSVHSE-KRWDZBQOSA-N 2 0 362.493 3.049 20 0 FGADRP O=C(NC1CC[NH+](C2CCCCC2)CC1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000476008074 502356623 /nfs/dbraw/zinc/35/66/23/502356623.db2.gz PKLDWMVBFDWZEP-FQEVSTJZSA-N 2 0 362.562 3.053 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N1CC[N@H+](C)[C@@H](C(C)C)C1)c1ccsc1 ZINC000487103826 502359880 /nfs/dbraw/zinc/35/98/80/502359880.db2.gz OCAHUIGCEQBMAI-QZTJIDSGSA-N 2 0 366.575 3.113 20 0 FGADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)N(C)CC[C@@H]2CCCC[NH+]2C)C1 ZINC000465758091 502374310 /nfs/dbraw/zinc/37/43/10/502374310.db2.gz PDUIBSBLLFKXDL-NRSPTQNISA-N 2 0 372.557 3.338 20 0 FGADRP C[C@@H]1C[C@H](NC(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)CC[N@@H+]1C ZINC000465769585 502378902 /nfs/dbraw/zinc/37/89/02/502378902.db2.gz HNXCNSCAESQKIH-WIYYLYMNSA-N 2 0 372.557 3.345 20 0 FGADRP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)[C@H]1CCCC[NH+]1Cc1ccccc1 ZINC000469345096 502382365 /nfs/dbraw/zinc/38/23/65/502382365.db2.gz QSUMMIYKEGBINK-SVFBPWRDSA-N 2 0 357.542 3.420 20 0 FGADRP Cc1ccc([C@H](CNC(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)[NH+](C)C)cc1 ZINC000465822363 502395942 /nfs/dbraw/zinc/39/59/42/502395942.db2.gz VZOOWROLOMBKJP-SFTDATJTSA-N 2 0 372.557 3.161 20 0 FGADRP CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC000469401539 502401150 /nfs/dbraw/zinc/40/11/50/502401150.db2.gz IEXNRHRSHXEYSL-CALCHBBNSA-N 2 0 371.529 3.189 20 0 FGADRP OCCN(Cc1ccc(Br)s1)Cc1cccc2nccn21 ZINC000483484665 502405487 /nfs/dbraw/zinc/40/54/87/502405487.db2.gz KBAXDNIGGVHTIK-UHFFFAOYSA-N 2 0 366.284 3.153 20 0 FGADRP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2C(C)C ZINC000465861477 502405972 /nfs/dbraw/zinc/40/59/72/502405972.db2.gz DLWUKLLFEUWHNQ-AABGKKOBSA-N 2 0 364.578 3.298 20 0 FGADRP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)NCCC1CC[NH+](CC)CC1 ZINC000465875694 502410232 /nfs/dbraw/zinc/41/02/32/502410232.db2.gz TVKAJQNDVDCFCW-IBGZPJMESA-N 2 0 352.567 3.062 20 0 FGADRP C[NH+](C)CCc1ccc(CNC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)cc1 ZINC000469496934 502439944 /nfs/dbraw/zinc/43/99/44/502439944.db2.gz BADCHRYIPMSPBM-HXUWFJFHSA-N 2 0 357.542 3.062 20 0 FGADRP C[C@H]1C[C@H](NC(=O)N2CCC(C[NH+](C)Cc3ccccc3)CC2)CC[N@@H+]1C ZINC000466042100 502464281 /nfs/dbraw/zinc/46/42/81/502464281.db2.gz XNRWRFBOHMIXEG-GHTZIAJQSA-N 2 0 372.557 3.023 20 0 FGADRP CCC[N@H+](CC)CCNC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000472932995 502475232 /nfs/dbraw/zinc/47/52/32/502475232.db2.gz JMQKFZKCGHGWCD-UHFFFAOYSA-N 2 0 360.546 3.204 20 0 FGADRP COc1cc2c(cc1F)[nH+]ccc2N1C[C@@H](SC)[C@@H]([NH+]2CCCC2)C1 ZINC000480172269 502490257 /nfs/dbraw/zinc/49/02/57/502490257.db2.gz SGNDRVFRPSOYHE-PKOBYXMFSA-N 2 0 361.486 3.399 20 0 FGADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)N(C)[C@@H]1CC[NH+](CC)[C@@H](C)C1 ZINC000483795825 502495078 /nfs/dbraw/zinc/49/50/78/502495078.db2.gz BMKWXYQISHFTDE-IPMKNSEASA-N 2 0 352.567 3.155 20 0 FGADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N(C)[C@@H]2CC[NH+](CC)[C@H](C)C2)C1 ZINC000483799113 502495743 /nfs/dbraw/zinc/49/57/43/502495743.db2.gz KVJWZLKSAIHXKG-GUDVDZBRSA-N 2 0 366.594 3.401 20 0 FGADRP C[C@@H]1C[NH+](CC2CC[NH+](CCO[C@@H]3CCCC[C@H]3C)CC2)C[C@@H](C)O1 ZINC000588709823 506317603 /nfs/dbraw/zinc/31/76/03/506317603.db2.gz DTULDVXGASFGTN-ANTGDGSKSA-N 2 0 352.563 3.403 20 0 FGADRP COc1ccc(OC)c(C[NH2+][C@@H](C)c2ccc(OCC[NH+](C)C)cc2)c1 ZINC000480246282 502510974 /nfs/dbraw/zinc/51/09/74/502510974.db2.gz YIFBFKOHKKVYND-INIZCTEOSA-N 2 0 358.482 3.495 20 0 FGADRP C[C@@H]1C[C@@H](CC[NH2+]Cc2cn(C(C)(C)C)nn2)C[N@@H+]1Cc1ccccc1 ZINC000480305815 502532066 /nfs/dbraw/zinc/53/20/66/502532066.db2.gz GNWWSQNXVYFHEL-IEBWSBKVSA-N 2 0 355.530 3.423 20 0 FGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000469753390 502532526 /nfs/dbraw/zinc/53/25/26/502532526.db2.gz SNYFCEOLCJUSKG-IRXDYDNUSA-N 2 0 371.447 3.299 20 0 FGADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2ccc(-n3ccnc3)cc2C)C1 ZINC000483966665 502535475 /nfs/dbraw/zinc/53/54/75/502535475.db2.gz XMKAMLGACNZAIL-OAQYLSRUSA-N 2 0 356.514 3.113 20 0 FGADRP C[NH+](C)Cc1ccc(C[NH2+]Cc2cncc(Br)c2)cc1F ZINC000466374036 502551956 /nfs/dbraw/zinc/55/19/56/502551956.db2.gz JBGJOAGBXOZBOU-UHFFFAOYSA-N 2 0 352.251 3.335 20 0 FGADRP Cc1cc(NC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)ccc1OCC[NH+]1CCCC1 ZINC000469869167 502576130 /nfs/dbraw/zinc/57/61/30/502576130.db2.gz CJIHMNBPLIJJOR-HDICACEKSA-N 2 0 359.514 3.281 20 0 FGADRP COC(=O)c1cc(C[NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)n(C)c1C ZINC000462791335 502576199 /nfs/dbraw/zinc/57/61/99/502576199.db2.gz SDONQLUHSUHJDC-UHFFFAOYSA-N 2 0 369.509 3.396 20 0 FGADRP CC1CC[NH+](CCC[C@H]([NH2+][C@@H]2CC(=O)N(C)C2)c2ccc(F)cc2)CC1 ZINC000462803074 502581143 /nfs/dbraw/zinc/58/11/43/502581143.db2.gz PUEXITBLSILBIV-UXHICEINSA-N 2 0 361.505 3.199 20 0 FGADRP C[C@@H]1CCC[C@@](CNC(=O)N2CC[N@@H+](C3CCC3)C[C@H](C)C2)([NH+](C)C)C1 ZINC000488019065 502602263 /nfs/dbraw/zinc/60/22/63/502602263.db2.gz WDKYZMQFZYPNIJ-LVCYWYKZSA-N 2 0 364.578 3.013 20 0 FGADRP O[C@@H]1CC[N@H+](Cc2cccc(NC3CC[NH+](CCC(F)(F)F)CC3)c2)C1 ZINC000462866503 502604937 /nfs/dbraw/zinc/60/49/37/502604937.db2.gz NBWOKGNVEMVMFP-GOSISDBHSA-N 2 0 371.447 3.082 20 0 FGADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H](C)c2ccc(-c3ccncc3)cc2)CC1 ZINC000480619157 502623072 /nfs/dbraw/zinc/62/30/72/502623072.db2.gz XFFLGFCHGBQDHP-RBUKOAKNSA-N 2 0 352.526 3.425 20 0 FGADRP Cc1ccc(-c2ccc(C[N@@H+]3CCC[C@H](C(=O)NCC[NH3+])C3)s2)cc1 ZINC000470002810 502626643 /nfs/dbraw/zinc/62/66/43/502626643.db2.gz LYOVLLBOMJNQGR-KRWDZBQOSA-N 2 0 357.523 3.010 20 0 FGADRP CCN(CC[NH+]1CCCCCC1)C(=O)NC[C@H](C)C[NH+]1CCCCC1 ZINC000484338989 502628468 /nfs/dbraw/zinc/62/84/68/502628468.db2.gz VBILBICCRZYMNL-IBGZPJMESA-N 2 0 352.567 3.016 20 0 FGADRP OC[C@@H](Cc1ccccc1)[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000480679628 502640490 /nfs/dbraw/zinc/64/04/90/502640490.db2.gz VPYIKTINHZBOTH-MOUTVQLLSA-N 2 0 364.533 3.480 20 0 FGADRP Cc1ccccc1[C@@H]([C@H](C)NC(=O)NCCC[NH+]1CCCCC1)[NH+](C)C ZINC000476984054 502641329 /nfs/dbraw/zinc/64/13/29/502641329.db2.gz PZVVDDAUKFCHBH-AZUAARDMSA-N 2 0 360.546 3.161 20 0 FGADRP CCCN(CC[NH+]1CCCC1)C(=O)N[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000484646318 502694883 /nfs/dbraw/zinc/69/48/83/502694883.db2.gz UNXBXRNIEMERII-TZIWHRDSSA-N 2 0 372.557 3.339 20 0 FGADRP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N(C)[C@@H]1CC[NH+](C2CC2)C1 ZINC000470276380 502721979 /nfs/dbraw/zinc/72/19/79/502721979.db2.gz GCKSRGFVMPHTTP-RTWAWAEBSA-N 2 0 372.557 3.021 20 0 FGADRP CC[NH+](CC)CCN(Cc1ccccc1)C(=O)N[C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000466922235 502727714 /nfs/dbraw/zinc/72/77/14/502727714.db2.gz VTROXXRYGZDGEI-RXVVDRJESA-N 2 0 372.557 3.023 20 0 FGADRP CCN(C(=O)NCC[NH+](CC)CC)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000473884243 502737437 /nfs/dbraw/zinc/73/74/37/502737437.db2.gz HLSPCGOTISQTSB-ICSRJNTNSA-N 2 0 360.546 3.195 20 0 FGADRP Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)c1ccc2c(c1)C[NH2+]C2 ZINC000470362035 502750891 /nfs/dbraw/zinc/75/08/91/502750891.db2.gz HNEIAKVADMQTJU-UHFFFAOYSA-N 2 0 367.518 3.399 20 0 FGADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)NCc1ccc(CC[NH+](C)C)cc1 ZINC000467009228 502756644 /nfs/dbraw/zinc/75/66/44/502756644.db2.gz LUSAEOVCIQXCOT-OAQYLSRUSA-N 2 0 374.573 3.245 20 0 FGADRP C[C@H](C(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1)[NH+]1[C@H](C)CC[C@H]1C ZINC000463331667 502761112 /nfs/dbraw/zinc/76/11/12/502761112.db2.gz ZUILGXTZBQIZER-RBSFLKMASA-N 2 0 367.921 3.480 20 0 FGADRP CC(C)[C@@H](CNC(=O)NC1CC([NH+]2CCCCC2)C1)[NH+]1CCC(C)CC1 ZINC000474035009 502785675 /nfs/dbraw/zinc/78/56/75/502785675.db2.gz QTESUZWVXSFLKV-SOAGJPPSSA-N 2 0 364.578 3.059 20 0 FGADRP C[NH+]1CCN(Cc2ccc(C[NH2+][C@@H]3CCCC[C@@H]3[C@H]3CCOC3)cc2)CC1 ZINC000474049480 502790339 /nfs/dbraw/zinc/79/03/39/502790339.db2.gz YXYPEWLMUIWVMJ-YTFSRNRJSA-N 2 0 371.569 3.119 20 0 FGADRP CCN(Cc1cccs1)[C@@H](C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000485040647 502808535 /nfs/dbraw/zinc/80/85/35/502808535.db2.gz COMOMCQPLAGHCW-PKOBYXMFSA-N 2 0 371.550 3.349 20 0 FGADRP C[C@H](C(=O)N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1)[NH+]1CCCCCC1 ZINC000470553158 502810954 /nfs/dbraw/zinc/81/09/54/502810954.db2.gz ISYJJAHSWKJVPB-VQTJNVASSA-N 2 0 357.542 3.374 20 0 FGADRP CCN(C(=O)CC[C@@H]1CCCC[NH+]1C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000504909986 502822378 /nfs/dbraw/zinc/82/23/78/502822378.db2.gz VLTMFIVHERCXMT-LEWJYISDSA-N 2 0 357.542 3.374 20 0 FGADRP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000500784934 502863405 /nfs/dbraw/zinc/86/34/05/502863405.db2.gz FFKKWSKSQXKDCR-FQEVSTJZSA-N 2 0 366.594 3.404 20 0 FGADRP C[NH+](C)CCCC1CCN(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000500817377 502870353 /nfs/dbraw/zinc/87/03/53/502870353.db2.gz KSYOSYSOFRBRGS-NRFANRHFSA-N 2 0 372.557 3.024 20 0 FGADRP CCCCO[C@H]1C[C@H]([N@H+](C)CCCN2CC[NH+](C(C)C)CC2)C1(C)C ZINC000500985375 502906298 /nfs/dbraw/zinc/90/62/98/502906298.db2.gz RUJJJXWAEVAZCQ-PMACEKPBSA-N 2 0 353.595 3.318 20 0 FGADRP CC(C)Cc1ccc([C@@H](CNC(=O)NCC2=CC[N@H+](C)CC2)[NH+](C)C)cc1 ZINC000513381357 502920327 /nfs/dbraw/zinc/92/03/27/502920327.db2.gz AUROQCOXIHFVND-OAQYLSRUSA-N 2 0 372.557 3.049 20 0 FGADRP C[C@H](C(=O)NC1CCCCC1)[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501048513 502922231 /nfs/dbraw/zinc/92/22/31/502922231.db2.gz VXTOVCXKAYISEV-QGZVFWFLSA-N 2 0 358.530 3.067 20 0 FGADRP CC(C)N(C(=O)C[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1)C1CCCC1 ZINC000501050647 502922367 /nfs/dbraw/zinc/92/23/67/502922367.db2.gz DTYFDWGWBZIZCA-UHFFFAOYSA-N 2 0 372.557 3.409 20 0 FGADRP CCc1ccc([C@@H]2CCC[N@H+](CC(=O)NC3CC[NH+](C(C)C)CC3)C2)cc1 ZINC000513392169 502924318 /nfs/dbraw/zinc/92/43/18/502924318.db2.gz MHPFZIVVOUAGPX-OAQYLSRUSA-N 2 0 371.569 3.417 20 0 FGADRP CC[C@H]1CCCCN1C(=O)[C@@H](C)[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501066127 502926466 /nfs/dbraw/zinc/92/64/66/502926466.db2.gz CTPIUSXMLAMSBN-QUCCMNQESA-N 2 0 372.557 3.409 20 0 FGADRP CC[C@H](C)[NH2+][C@@H](CNC(=O)N(C)[C@H](C)C1CC[NH+](C)CC1)c1ccco1 ZINC000509601127 502945426 /nfs/dbraw/zinc/94/54/26/502945426.db2.gz KFDJTIBMZRWAMK-JZXOWHBKSA-N 2 0 364.534 3.081 20 0 FGADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)NCC[N@@H+]1CCCC[C@@H]1C)c1ccccc1 ZINC000489535970 502980696 /nfs/dbraw/zinc/98/06/96/502980696.db2.gz IHUJCSAPCDCFLV-ZWKOTPCHSA-N 2 0 360.546 3.289 20 0 FGADRP CCCN(C)c1ccc(C(=O)N(CC[NH+](C)C)C[C@H]2CCC[N@@H+]2CC)cc1 ZINC000505806128 502990100 /nfs/dbraw/zinc/99/01/00/502990100.db2.gz CEGKRXDFOVTQIE-OAQYLSRUSA-N 2 0 374.573 3.021 20 0 FGADRP CC[NH+]1CCN(c2ccccc2C[N@@H+]2CCC[C@@H]2c2cc(C)no2)CC1 ZINC000509817562 502991473 /nfs/dbraw/zinc/99/14/73/502991473.db2.gz CNUMUXJTGNVYTC-HXUWFJFHSA-N 2 0 354.498 3.462 20 0 FGADRP C[NH+]1CCC(N2CCC([NH2+][C@H]3CCC[C@@H](c4cccnc4)C3)CC2)CC1 ZINC000501379423 502996761 /nfs/dbraw/zinc/99/67/61/502996761.db2.gz XAZDLYKNLMVXLS-NQIIRXRSSA-N 2 0 356.558 3.256 20 0 FGADRP C[C@@H](C(=O)NCc1ccc(OC2CC[NH+](C)CC2)cc1)[NH+]1CCCCCC1 ZINC000501417575 503006256 /nfs/dbraw/zinc/00/62/56/503006256.db2.gz LQWKGASTPZUFNO-SFHVURJKSA-N 2 0 373.541 3.040 20 0 FGADRP C[NH+](C)C1CCC([NH2+]Cc2cc(Br)c3c(c2)OCCO3)CC1 ZINC000513713119 503006773 /nfs/dbraw/zinc/00/67/73/503006773.db2.gz KSQPJCZAEDXOPS-UHFFFAOYSA-N 2 0 369.303 3.183 20 0 FGADRP C[N@@H+]1CC[C@H]([NH2+]CCCC[NH+]2CCN(c3ccccc3)CC2)[C@H]2CCC[C@@H]21 ZINC000513713836 503007382 /nfs/dbraw/zinc/00/73/82/503007382.db2.gz UQWDBYJZEPUOGU-VJBWXMMDSA-N 3 0 370.585 3.051 20 0 FGADRP C[C@H](CNC(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000501499001 503021528 /nfs/dbraw/zinc/02/15/28/503021528.db2.gz BSHMRJKPZWHYMX-SFHLNBCPSA-N 2 0 372.557 3.243 20 0 FGADRP C[C@H](CNC(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000501499000 503021758 /nfs/dbraw/zinc/02/17/58/503021758.db2.gz BSHMRJKPZWHYMX-SBHAEUEKSA-N 2 0 372.557 3.243 20 0 FGADRP C[C@H](CNC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000501518339 503027726 /nfs/dbraw/zinc/02/77/26/503027726.db2.gz RXXIAXXPRXZYSL-RTBURBONSA-N 2 0 372.557 3.202 20 0 FGADRP Cc1ccc(NC(=O)[C@H](C)[NH+]2CCC(CC[NH+]3CCOCC3)CC2)cc1C ZINC000513817666 503030060 /nfs/dbraw/zinc/03/00/60/503030060.db2.gz MKJTUIBACQVWKF-IBGZPJMESA-N 2 0 373.541 3.065 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)NCC[N@@H+]1CCCC[C@H]1C)c1ccccc1 ZINC000501547125 503034647 /nfs/dbraw/zinc/03/46/47/503034647.db2.gz RSROJLFXCSVBMS-UYAOXDASSA-N 2 0 360.546 3.243 20 0 FGADRP [NH3+]CC[C@H]1CCCC[N@@H+]1CCC(=O)Nc1ccc(Br)cc1F ZINC000489798378 503038322 /nfs/dbraw/zinc/03/83/22/503038322.db2.gz XDNNYONCCWHVCV-CYBMUJFWSA-N 2 0 372.282 3.120 20 0 FGADRP CC[NH+]1CCN(c2ccccc2C[N@H+](C)Cc2ccc3c(c2)OCO3)CC1 ZINC000506056855 503038543 /nfs/dbraw/zinc/03/85/43/503038543.db2.gz ZDMFSMNLYUEQRT-UHFFFAOYSA-N 2 0 367.493 3.189 20 0 FGADRP CC(C)Oc1ccc2ccccc2c1C[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000489802189 503039264 /nfs/dbraw/zinc/03/92/64/503039264.db2.gz RJGQIPVHDNHPEM-LJQANCHMSA-N 2 0 353.510 3.107 20 0 FGADRP C[NH+](C)CCN(Cc1ccccc1)C(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000501573139 503041793 /nfs/dbraw/zinc/04/17/93/503041793.db2.gz GEQANMLVDHETDA-UHFFFAOYSA-N 2 0 374.573 3.414 20 0 FGADRP Cc1ccccc1[C@H]([C@@H](C)NC(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1)[NH+](C)C ZINC000497835706 503051540 /nfs/dbraw/zinc/05/15/40/503051540.db2.gz KEEDKSPZOZTHNG-LQWHRVPQSA-N 2 0 372.557 3.302 20 0 FGADRP CC(C)[C@@H]([NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1)c1ccc(F)cn1 ZINC000497836591 503051645 /nfs/dbraw/zinc/05/16/45/503051645.db2.gz PABCIOGNGZVYJV-OAQYLSRUSA-N 2 0 371.504 3.115 20 0 FGADRP C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000514032291 503071841 /nfs/dbraw/zinc/07/18/41/503071841.db2.gz FEUVHASHBGHRRH-RBUKOAKNSA-N 2 0 372.557 3.202 20 0 FGADRP CCC[NH+]1CCC(CNC(=O)NC[C@@H](c2ccc(CC)cc2)[NH+](C)C)CC1 ZINC000514202456 503111379 /nfs/dbraw/zinc/11/13/79/503111379.db2.gz YDFOYJRBDKYKON-NRFANRHFSA-N 2 0 374.573 3.273 20 0 FGADRP CC[C@H](C)[NH2+][C@H](CNC(=O)NCC[C@H](C)[NH+]1CCCCC1)c1ccco1 ZINC000501942316 503112588 /nfs/dbraw/zinc/11/25/88/503112588.db2.gz LGSDSSUTSANQNF-OKZBNKHCSA-N 2 0 364.534 3.273 20 0 FGADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)Cc1ccc(Cl)cc1Cl ZINC000490161746 503120154 /nfs/dbraw/zinc/12/01/54/503120154.db2.gz RMPSIJZQDGESJY-UHFFFAOYSA-N 2 0 374.356 3.268 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)N1CCC(C[NH+](C)C)CC1)c1ccccc1 ZINC000514564190 503137600 /nfs/dbraw/zinc/13/76/00/503137600.db2.gz CDIMULUMFGOJED-FQEVSTJZSA-N 2 0 360.546 3.053 20 0 FGADRP CC[NH+](CC)Cc1ccccc1CNC(=O)N1C[C@@H](C)[N@H+](CC)C[C@H]1C ZINC000498259766 503145023 /nfs/dbraw/zinc/14/50/23/503145023.db2.gz OFGHLSBBNXDUED-QZTJIDSGSA-N 2 0 360.546 3.153 20 0 FGADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000506711944 503159351 /nfs/dbraw/zinc/15/93/51/503159351.db2.gz RZHOCVNCQSZIAR-HXUWFJFHSA-N 2 0 364.578 3.158 20 0 FGADRP CCCC[NH+]1CCC(NC(=O)N2CC[NH+](CC3CCCCC3)CC2)CC1 ZINC000502215602 503164097 /nfs/dbraw/zinc/16/40/97/503164097.db2.gz NVHCIOQPAVEGIS-UHFFFAOYSA-N 2 0 364.578 3.158 20 0 FGADRP CCCC[NH+]1CCC(NC(=O)N2CCC(C[NH+](CC)CC)CC2)CC1 ZINC000502227455 503166099 /nfs/dbraw/zinc/16/60/99/503166099.db2.gz ASTZJDSYXSOWEY-UHFFFAOYSA-N 2 0 352.567 3.014 20 0 FGADRP COCCC[NH+]1CCC([NH2+][C@@H](C)Cc2cc(OC)c(OC)cc2C)CC1 ZINC000502247850 503169480 /nfs/dbraw/zinc/16/94/80/503169480.db2.gz JUVWTXOEIPILMI-KRWDZBQOSA-N 2 0 364.530 3.034 20 0 FGADRP CC[C@@H](C)[NH2+][C@@H](CNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1ccco1 ZINC000498414388 503183051 /nfs/dbraw/zinc/18/30/51/503183051.db2.gz PHJKYHAKCNKFSS-QCLGFWRNSA-N 2 0 362.518 3.023 20 0 FGADRP CC1(C)CCc2cc(C[NH+]3CCC(C[NH+]4CCOCC4)CC3)ccc2O1 ZINC000506893253 503191029 /nfs/dbraw/zinc/19/10/29/503191029.db2.gz SESYWMNAYJXSIG-UHFFFAOYSA-N 2 0 358.526 3.334 20 0 FGADRP Cc1cnc2cc(C(=O)N3C[C@H]4CC[N@H+](Cc5ccccc5)C[C@@H]4C3)ccn12 ZINC000514797362 503195688 /nfs/dbraw/zinc/19/56/88/503195688.db2.gz XKZITLZSWLQELG-NHCUHLMSSA-N 2 0 374.488 3.237 20 0 FGADRP CC1CC[NH+](CCNC(=O)N2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)CC1 ZINC000506929526 503196188 /nfs/dbraw/zinc/19/61/88/503196188.db2.gz GCZAMODEXHFBLJ-UXHICEINSA-N 2 0 364.578 3.014 20 0 FGADRP CC[C@H](c1ccc(F)cc1F)N1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000490651682 503209363 /nfs/dbraw/zinc/20/93/63/503209363.db2.gz TWXSUEYRRNJMEW-BEVDRBHNSA-N 2 0 351.485 3.374 20 0 FGADRP [NH3+][C@@H]1CCCC[C@@H]1CC(=O)N(Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000515004561 503248814 /nfs/dbraw/zinc/24/88/14/503248814.db2.gz WVSITUVBAGKVSY-KZNAEPCWSA-N 2 0 361.555 3.126 20 0 FGADRP C[C@@H]1C[C@@H](NC(=O)Nc2ccc3c(c2)C[NH2+]CC3)C[N@@H+]1Cc1ccccc1 ZINC000515046395 503258635 /nfs/dbraw/zinc/25/86/35/503258635.db2.gz PRYLMXQSJXWULP-IIBYNOLFSA-N 2 0 364.493 3.117 20 0 FGADRP C[C@@H](NC(=O)N1CC[N@@H+]([C@H]2C[C@@H]2C)C[C@H](C)C1)[C@H](c1ccccc1)[NH+](C)C ZINC000491109624 503274259 /nfs/dbraw/zinc/27/42/59/503274259.db2.gz TXVUUBVFNOYSIU-GCGJSEPQSA-N 2 0 372.557 3.050 20 0 FGADRP Cc1cccc(C)c1OC[C@@H](O)CN1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000498860028 503277558 /nfs/dbraw/zinc/27/75/58/503277558.db2.gz YOJXTVASCYAGMI-VXKWHMMOSA-N 2 0 374.569 3.487 20 0 FGADRP C[NH+](C)CCN(CCCc1ccccc1)C(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000498918993 503293397 /nfs/dbraw/zinc/29/33/97/503293397.db2.gz NFXXDTHGQWAGQS-NRFANRHFSA-N 2 0 359.558 3.274 20 0 FGADRP C[NH+](C)[C@@H](CNC(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C)c1ccccc1 ZINC000515290854 503306757 /nfs/dbraw/zinc/30/67/57/503306757.db2.gz JIDIBMACLRHOOH-PMACEKPBSA-N 2 0 372.488 3.031 20 0 FGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+][C@H](C)[C@@H]2CCCOC2)CC1 ZINC000507498171 503308897 /nfs/dbraw/zinc/30/88/97/503308897.db2.gz USSFBRYANMXMEF-FGTMMUONSA-N 2 0 363.521 3.433 20 0 FGADRP CN(C)[C@H](C(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000515301586 503309928 /nfs/dbraw/zinc/30/99/28/503309928.db2.gz NFTTVHACOBNNCQ-SFTDATJTSA-N 2 0 351.494 3.022 20 0 FGADRP C[C@H]([NH2+]C(C)(C)CNC(=O)NCC[N@@H+]1CCC[C@@H](C)C1)c1ccccc1 ZINC000502943019 503312360 /nfs/dbraw/zinc/31/23/60/503312360.db2.gz YJORUQUKKHVRPM-MSOLQXFVSA-N 2 0 360.546 3.147 20 0 FGADRP CC[NH+]1CCN(c2ccc(C[NH2+]C[C@@H]3C[C@@H]3c3ccccc3)cn2)CC1 ZINC000502999659 503321408 /nfs/dbraw/zinc/32/14/08/503321408.db2.gz WNMCAGWCEJNGPB-LEWJYISDSA-N 2 0 350.510 3.117 20 0 FGADRP CSc1cc2c(cc1C[NH+]1CCC(CC[NH+](C)C)CC1)OCCO2 ZINC000511505239 503333537 /nfs/dbraw/zinc/33/35/37/503333537.db2.gz CNQZIBZWANWKMW-UHFFFAOYSA-N 2 0 350.528 3.343 20 0 FGADRP C[C@@H](NC(=O)NC1CC[NH+](C2CCCC2)CC1)[C@@H](c1ccccc1)[NH+](C)C ZINC000499104961 503335464 /nfs/dbraw/zinc/33/54/64/503335464.db2.gz YMBIWNUGJHIBPK-UTKZUKDTSA-N 2 0 372.557 3.384 20 0 FGADRP CCN(CC(=O)N1CCC2(CCC[N@@H+]2C)CC1)Cc1ccccc1Cl ZINC000503351012 503392634 /nfs/dbraw/zinc/39/26/34/503392634.db2.gz FEUZGBVGIGVAMR-UHFFFAOYSA-N 2 0 363.933 3.249 20 0 FGADRP C[C@H](CNC(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)C[NH+]1CCCCC1 ZINC000515820017 503406542 /nfs/dbraw/zinc/40/65/42/503406542.db2.gz BJZNIDZHCKRORB-TZIWHRDSSA-N 2 0 372.557 3.072 20 0 FGADRP C[NH+](C)C1(CNC(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)CCCC1 ZINC000503493458 503420841 /nfs/dbraw/zinc/42/08/41/503420841.db2.gz ZEKPTCYZBIGKPN-LJQANCHMSA-N 2 0 364.578 3.158 20 0 FGADRP C[NH+](C)C1(CNC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)CCC1 ZINC000511962980 503424339 /nfs/dbraw/zinc/42/43/39/503424339.db2.gz ZGUUVKTZMCLMRV-IBGZPJMESA-N 2 0 372.557 3.071 20 0 FGADRP Cc1cc([C@H](C)[NH2+]CC2CC[NH+](CCO)CC2)sc1Br ZINC000512031538 503438632 /nfs/dbraw/zinc/43/86/32/503438632.db2.gz PVTSVBBKTYJLPO-LBPRGKRZSA-N 2 0 361.349 3.174 20 0 FGADRP CO[C@@H](c1ccccc1)[C@@H](C)[NH2+]Cc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000493734311 503442570 /nfs/dbraw/zinc/44/25/70/503442570.db2.gz FBMCRURXXHYDIJ-AUSIDOKSSA-N 2 0 367.537 3.300 20 0 FGADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000499695283 503459824 /nfs/dbraw/zinc/45/98/24/503459824.db2.gz RPZHFHZKXYJJOK-LEWJYISDSA-N 2 0 357.542 3.279 20 0 FGADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H](C)c2cc(C)c(Br)s2)CC1 ZINC000512142711 503467830 /nfs/dbraw/zinc/46/78/30/503467830.db2.gz AOCXFKAPZNNKGB-KBPBESRZSA-N 2 0 374.392 3.496 20 0 FGADRP C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)N[C@H]2CC[NH+](C3CC3)C2)c1 ZINC000512167323 503474282 /nfs/dbraw/zinc/47/42/82/503474282.db2.gz QNJNAPLZPYODJN-NRFANRHFSA-N 2 0 363.505 3.285 20 0 FGADRP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000494058827 503480522 /nfs/dbraw/zinc/48/05/22/503480522.db2.gz GXZQMJMZHUROCF-QMMLZNLJSA-N 2 0 355.526 3.173 20 0 FGADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)NCC1(C)CC[NH+](C)CC1)c1ccccc1 ZINC000508399210 503487659 /nfs/dbraw/zinc/48/76/59/503487659.db2.gz FXAVEYJIHGZTHC-QGZVFWFLSA-N 2 0 360.546 3.147 20 0 FGADRP C[N@H+](CCC[NH+]1CCCC1)CCC(=O)Nc1ccccc1Br ZINC000499908733 503508976 /nfs/dbraw/zinc/50/89/76/503508976.db2.gz NVPXBXJSRHPHHA-UHFFFAOYSA-N 2 0 368.319 3.195 20 0 FGADRP CC(C)[NH+](CCN(C)C(=O)NC[C@@H](c1ccsc1)[NH+](C)C)C(C)C ZINC000504011089 503510106 /nfs/dbraw/zinc/51/01/06/503510106.db2.gz YHMRJQNGGNUVRA-KRWDZBQOSA-N 2 0 354.564 3.111 20 0 FGADRP CCN(CC[NH+]1CCCCCC1)C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000500100958 503554160 /nfs/dbraw/zinc/55/41/60/503554160.db2.gz GEVCUVIAMWQHQU-UHFFFAOYSA-N 2 0 352.567 3.014 20 0 FGADRP C[N@H+](CCNC(=O)C1CC[NH+]([C@H]2C=CCCC2)CC1)Cc1ccccc1 ZINC000494547339 503561750 /nfs/dbraw/zinc/56/17/50/503561750.db2.gz VFDAZLSKPFHRJS-NRFANRHFSA-N 2 0 355.526 3.055 20 0 FGADRP CC(C)[NH+](CCN(C)C(=O)NC1CC[NH+](C2CCCC2)CC1)C(C)C ZINC000504419593 503571505 /nfs/dbraw/zinc/57/15/05/503571505.db2.gz PJVKUWBBZHHRJS-UHFFFAOYSA-N 2 0 352.567 3.154 20 0 FGADRP C[NH+](C)CCCC[NH2+]Cc1cnn(Cc2ccc(C(F)(F)F)cc2)c1 ZINC000494609661 503573363 /nfs/dbraw/zinc/57/33/63/503573363.db2.gz RVNLXMMUODXVIF-UHFFFAOYSA-N 2 0 354.420 3.382 20 0 FGADRP CC(C)[N@@H+]1[C@@H]2CC[C@H]1CN(C(=O)N[C@@H](C)[C@H](c1ccccc1)[NH+](C)C)CC2 ZINC000508869735 503583423 /nfs/dbraw/zinc/58/34/23/503583423.db2.gz YWTQARDQAIWNFM-FYZZASKESA-N 2 0 372.557 3.335 20 0 FGADRP O=C(CC[C@@H]1CCC[NH2+]1)NCCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000494651399 503583770 /nfs/dbraw/zinc/58/37/70/503583770.db2.gz QJIDQMUDOGBRRK-QFIPXVFZSA-N 2 0 371.569 3.370 20 0 FGADRP CC(C)(C)[C@H](C[N@@H+]1CCc2ccccc2C1)NC(=O)CC[C@H]1CCC[NH2+]1 ZINC000494654363 503584667 /nfs/dbraw/zinc/58/46/67/503584667.db2.gz NLDXEWQHELDGDP-UXHICEINSA-N 2 0 357.542 3.108 20 0 FGADRP CC(C)(C)[C@H](C[N@@H+]1CCc2ccccc2C1)NC(=O)CC[C@@H]1CCC[NH2+]1 ZINC000494654362 503584845 /nfs/dbraw/zinc/58/48/45/503584845.db2.gz NLDXEWQHELDGDP-PMACEKPBSA-N 2 0 357.542 3.108 20 0 FGADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCC[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000512578292 503589100 /nfs/dbraw/zinc/58/91/00/503589100.db2.gz POJKTSWPOBQMFQ-XCJLJZCSSA-N 2 0 357.542 3.276 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)CC[C@H]1CCC[NH2+]1)c1ccccc1Cl ZINC000494681027 503590233 /nfs/dbraw/zinc/59/02/33/503590233.db2.gz JUPNHTVVHBDNJL-QAPCUYQASA-N 2 0 351.922 3.371 20 0 FGADRP C(CN1CCC[C@@H](OCC2CC2)C1)C[N@@H+]1CCC[C@H](OCC2CC2)C1 ZINC000494700135 503594378 /nfs/dbraw/zinc/59/43/78/503594378.db2.gz BKOQCGBDBIUXDH-OYRHEFFESA-N 2 0 350.547 3.159 20 0 FGADRP CC(C)(C)NC(=O)CC[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000512610836 503594751 /nfs/dbraw/zinc/59/47/51/503594751.db2.gz FJIKJRSQZXWOTG-XUVXKRRUSA-N 2 0 357.542 3.182 20 0 FGADRP Cc1ccccc1[C@@H]([C@@H](C)NC(=O)N1CCCC12CC[NH+](C)CC2)[NH+](C)C ZINC000508908440 503596778 /nfs/dbraw/zinc/59/67/78/503596778.db2.gz SLOFVZOENZZDTI-UYAOXDASSA-N 2 0 372.557 3.256 20 0 FGADRP CN(CC[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)CC(F)(F)F ZINC000512653203 503603939 /nfs/dbraw/zinc/60/39/39/503603939.db2.gz DEORUCWNVZYMNV-CEXWTWQISA-N 2 0 369.475 3.371 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2C[NH2+][C@@H]2CCC(=O)NC2(C)C)C1 ZINC000494891642 503631466 /nfs/dbraw/zinc/63/14/66/503631466.db2.gz IMZSVMGGROOMTI-FUHIMQAGSA-N 2 0 357.542 3.311 20 0 FGADRP CCN(CC[NH+]1CCCCCC1)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000500541731 503644444 /nfs/dbraw/zinc/64/44/44/503644444.db2.gz WVFDZNWWCUSRTA-NHCUHLMSSA-N 2 0 372.557 3.339 20 0 FGADRP C[N@@H+](CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)C[C@H]1CC=CCC1 ZINC000543180487 503663662 /nfs/dbraw/zinc/66/36/62/503663662.db2.gz VWVMFZPBPKSLOQ-SFHVURJKSA-N 2 0 373.566 3.462 20 0 FGADRP C[NH+](C)CCOCC[NH2+]Cc1cc(C(F)(F)F)ccc1Br ZINC000517205604 503673559 /nfs/dbraw/zinc/67/35/59/503673559.db2.gz WMJOERZDACUWFT-UHFFFAOYSA-N 2 0 369.225 3.136 20 0 FGADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H](CO)Cc2ccccc2C(F)(F)F)[C@H](C)C1 ZINC000540158776 503692664 /nfs/dbraw/zinc/69/26/64/503692664.db2.gz YESUSBVIYBIQKW-VKJFTORMSA-N 2 0 358.448 3.176 20 0 FGADRP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]C[C@H]2CCCCS2)CC1 ZINC000543240801 503695310 /nfs/dbraw/zinc/69/53/10/503695310.db2.gz WEQJFEBEAFEYEV-OAHLLOKOSA-N 2 0 353.963 3.467 20 0 FGADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@@H](C)c1ccc([S@@](C)=O)cc1 ZINC000543242076 503695373 /nfs/dbraw/zinc/69/53/73/503695373.db2.gz YTPGDAGTCNDXSL-HWRSSNJWSA-N 2 0 354.479 3.164 20 0 FGADRP CSc1ccc(C[NH2+]Cc2ccc(C(=O)NCC[NH+](C)C)cc2)s1 ZINC000517265241 503698781 /nfs/dbraw/zinc/69/87/81/503698781.db2.gz ULMKHLLZJNXZRY-UHFFFAOYSA-N 2 0 363.552 3.051 20 0 FGADRP CC(C)[C@H]([NH2+]CCCC[NH+]1CCN(CCO)CC1)c1ccc(Cl)cc1 ZINC000540300315 503731984 /nfs/dbraw/zinc/73/19/84/503731984.db2.gz BAAXWFXCWLSTLV-FQEVSTJZSA-N 2 0 367.965 3.017 20 0 FGADRP CC(C)[C@@H]([NH2+]CCCC[NH+]1CCN(CCO)CC1)c1ccc(Cl)cc1 ZINC000540300317 503732181 /nfs/dbraw/zinc/73/21/81/503732181.db2.gz BAAXWFXCWLSTLV-HXUWFJFHSA-N 2 0 367.965 3.017 20 0 FGADRP C[C@H](CCC(F)(F)F)[NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000543401653 503755186 /nfs/dbraw/zinc/75/51/86/503755186.db2.gz ZSEOVGWGQOJUCR-RHSMWYFYSA-N 2 0 371.447 3.205 20 0 FGADRP Cc1ccccc1[C@H](CN1CCOCC1)[NH2+]CCCC[NH+]1CCC(C)CC1 ZINC000543406957 503758034 /nfs/dbraw/zinc/75/80/34/503758034.db2.gz BMAPUHIOWWOULV-QHCPKHFHSA-N 2 0 373.585 3.470 20 0 FGADRP CC[NH+](CC)CC1CCN(C(=O)NC[C@]2([NH+](C)C)CCC[C@@H](C)C2)CC1 ZINC000517510774 503760692 /nfs/dbraw/zinc/76/06/92/503760692.db2.gz FOOMNOHAESQBGJ-NQIIRXRSSA-N 2 0 366.594 3.260 20 0 FGADRP CC[NH+](CC)CC1CCN(C(=O)NC[C@@]2([NH+](C)C)CCC[C@@H](C)C2)CC1 ZINC000517510778 503760871 /nfs/dbraw/zinc/76/08/71/503760871.db2.gz FOOMNOHAESQBGJ-WIYYLYMNSA-N 2 0 366.594 3.260 20 0 FGADRP Cc1n[nH]cc1C[NH2+]CCc1ccc(OCC[NH+]2C[C@@H](C)[C@H](C)C2)cc1 ZINC000537024729 503779802 /nfs/dbraw/zinc/77/98/02/503779802.db2.gz WLGCBMGYOFWDKV-IAGOWNOFSA-N 2 0 356.514 3.017 20 0 FGADRP CC[NH+](CC)CC1CCN(C(=O)NCC(C)(C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000517590161 503779872 /nfs/dbraw/zinc/77/98/72/503779872.db2.gz UPMHFCFNTCBWLU-SFHVURJKSA-N 2 0 366.594 3.260 20 0 FGADRP CCC[NH+]1CCC([NH2+][C@@H](CC)[C@@H](c2ccc(C)cc2)n2cncn2)CC1 ZINC000537094365 503800054 /nfs/dbraw/zinc/80/00/54/503800054.db2.gz BBWBBHJYPBIHIR-LEWJYISDSA-N 2 0 355.530 3.419 20 0 FGADRP CC(C)[C@@H]([NH2+]CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)c1ccccc1 ZINC000546592094 503800656 /nfs/dbraw/zinc/80/06/56/503800656.db2.gz OMVZOBAIRZLXDH-RBBKRZOGSA-N 2 0 353.510 3.392 20 0 FGADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2cnc(-c3ccccc3)nc2)C1 ZINC000533309698 503801460 /nfs/dbraw/zinc/80/14/60/503801460.db2.gz LXXFYBLXFHSASE-FQEVSTJZSA-N 2 0 354.498 3.076 20 0 FGADRP Clc1cc(CC[NH2+]C2CC[NH+](CC3CC3)CC2)cc2c1OCCO2 ZINC000537111422 503805966 /nfs/dbraw/zinc/80/59/66/503805966.db2.gz WHEDGJOAHGJELG-UHFFFAOYSA-N 2 0 350.890 3.118 20 0 FGADRP C[NH+](C)CCNC(=O)c1cccc(C[NH2+]Cc2ccc(C(F)F)cc2)c1 ZINC000527518321 503821197 /nfs/dbraw/zinc/82/11/97/503821197.db2.gz ILMOLSSQHWEMDP-UHFFFAOYSA-N 2 0 361.436 3.205 20 0 FGADRP NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+][C@@H](c2ccccc2)C2CCCCC2)C1 ZINC000537194838 503837058 /nfs/dbraw/zinc/83/70/58/503837058.db2.gz LBBTZHRRCPBFMO-RTWAWAEBSA-N 2 0 357.542 3.485 20 0 FGADRP C[NH+](C)CC1CC[NH+](CCc2cc(Cl)c3c(c2)OCCCO3)CC1 ZINC000537212042 503844098 /nfs/dbraw/zinc/84/40/98/503844098.db2.gz IVLGMWADDHDAKL-UHFFFAOYSA-N 2 0 352.906 3.317 20 0 FGADRP C[C@@H]([NH3+])c1ccc(-c2ccc([C@@H](C)[NH+]3CCN(CCO)CC3)cc2)cc1F ZINC000527589519 503845004 /nfs/dbraw/zinc/84/50/04/503845004.db2.gz SVZRBZJERVQJRR-IAGOWNOFSA-N 2 0 371.500 3.183 20 0 FGADRP NC(=O)[C@H]1CCC[N@H+](Cc2cccc(C[NH2+][C@@H]3CCCC34CCC4)c2)C1 ZINC000517850619 503850662 /nfs/dbraw/zinc/85/06/62/503850662.db2.gz XEABBQHVNCGREF-VQTJNVASSA-N 2 0 355.526 3.196 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)NC[C@@H](C(C)C)[NH+]1CCCC1)c1ccco1 ZINC000517892942 503860751 /nfs/dbraw/zinc/86/07/51/503860751.db2.gz WPDOIPFKWWPIIH-ZWKOTPCHSA-N 2 0 364.534 3.082 20 0 FGADRP C[C@H]1C[C@H]([NH2+]Cc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)C[C@@H](C)C1 ZINC000533497838 503865535 /nfs/dbraw/zinc/86/55/35/503865535.db2.gz CEESVSASCRSRFO-OVQGTLEDSA-N 2 0 357.542 3.298 20 0 FGADRP CC(C)(C)C[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1ccc(F)cc1 ZINC000537293258 503871715 /nfs/dbraw/zinc/87/17/15/503871715.db2.gz KEQKVYYSQONRLL-MJGOQNOKSA-N 2 0 363.521 3.480 20 0 FGADRP CC(C)C[C@H]([NH2+][C@H]1CCc2ccc(Cl)cc21)C(=O)NCC[NH+](C)C ZINC000540747001 503877511 /nfs/dbraw/zinc/87/75/11/503877511.db2.gz BFOUPEWCSYIXHK-ROUUACIJSA-N 2 0 351.922 3.009 20 0 FGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+]Cc2cc(OC)cc(C(F)(F)F)c2)CC1 ZINC000527655056 503877574 /nfs/dbraw/zinc/87/75/74/503877574.db2.gz XSLSGKRXZLFXCR-OAHLLOKOSA-N 2 0 373.463 3.077 20 0 FGADRP COc1ccc([C@H](C[NH3+])C[NH+]2CCC(Oc3cccc(F)c3)CC2)cc1 ZINC000530221560 503882174 /nfs/dbraw/zinc/88/21/74/503882174.db2.gz GJCKTTANQXRRJR-QGZVFWFLSA-N 2 0 358.457 3.420 20 0 FGADRP CCO[C@@H]1C[C@@H]([NH2+]Cc2ccccc2C[N@@H+]2CC[C@H](O)C2)C1(CC)CC ZINC000543777247 503887947 /nfs/dbraw/zinc/88/79/47/503887947.db2.gz RMXQGTZDVVLEDS-PWRODBHTSA-N 2 0 360.542 3.327 20 0 FGADRP c1ccc(-c2cccc(C[NH+]3CCC(CO[C@H]4CC[NH2+]C4)CC3)c2)nc1 ZINC000530248330 503893692 /nfs/dbraw/zinc/89/36/92/503893692.db2.gz JCSAYATUYVBYSZ-NRFANRHFSA-N 2 0 351.494 3.339 20 0 FGADRP Cn1cc(C[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)c(C2CCCCC2)n1 ZINC000530248803 503894587 /nfs/dbraw/zinc/89/45/87/503894587.db2.gz PHUXXILXLFXKCP-FQEVSTJZSA-N 2 0 360.546 3.058 20 0 FGADRP CC(C[NH+]1CCC[C@H]1C1CCOCC1)C[N@@H+]1CCC[C@H]1C1CCOCC1 ZINC000540827014 503906274 /nfs/dbraw/zinc/90/62/74/503906274.db2.gz QGVSQJSBMDTELV-VXKWHMMOSA-N 2 0 364.574 3.405 20 0 FGADRP CCO[C@@H]1C[C@H]([NH2+][C@H](C)c2cccc(OCC[NH+](C)C)c2)[C@]12CCCO2 ZINC000546874261 503911986 /nfs/dbraw/zinc/91/19/86/503911986.db2.gz KSGWBDJOCWTTJV-UMSONDCASA-N 2 0 362.514 3.004 20 0 FGADRP O=C(NC[C@H]1CC[N@@H+]1C1CCCCC1)NC1CC[NH+](C2CCCC2)CC1 ZINC000527792935 503946728 /nfs/dbraw/zinc/94/67/28/503946728.db2.gz YRSSMMZKEFLRDP-HXUWFJFHSA-N 2 0 362.562 3.100 20 0 FGADRP CC(C)[C@@H](C(=O)Nc1cccc(OCCC[NH+](C)C)c1)[NH+]1CCCCC1 ZINC000518435112 503984325 /nfs/dbraw/zinc/98/43/25/503984325.db2.gz BJJTYYADONCKFC-FQEVSTJZSA-N 2 0 361.530 3.466 20 0 FGADRP C[C@@H]1CCCC[NH+]1CCCNC(=O)NCC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC000518460445 503991559 /nfs/dbraw/zinc/99/15/59/503991559.db2.gz DIXSORFAXOJXJX-ZWKOTPCHSA-N 2 0 352.567 3.061 20 0 FGADRP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCCC[NH2+]C2CCCCC2)C1 ZINC000518459985 503991654 /nfs/dbraw/zinc/99/16/54/503991654.db2.gz HRGMEZSYPKEJBL-KRWDZBQOSA-N 2 0 352.567 3.109 20 0 FGADRP CC[NH+](CC)CCOC1CC[NH+](Cc2cccc(-n3cccn3)c2)CC1 ZINC000537659084 503994492 /nfs/dbraw/zinc/99/44/92/503994492.db2.gz SYWZJEFKEMRPLP-UHFFFAOYSA-N 2 0 356.514 3.195 20 0 FGADRP C[C@H]([NH2+]C[C@H](n1cccn1)C(F)(F)F)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000527941415 504008381 /nfs/dbraw/zinc/00/83/81/504008381.db2.gz YVQOBGHOLOQULL-SZMVWBNQSA-N 2 0 366.431 3.487 20 0 FGADRP C[C@H]([NH2+]Cc1ccc2cn(C)nc2c1)c1cccc(OCC[NH+](C)C)c1 ZINC000527968325 504020811 /nfs/dbraw/zinc/02/08/11/504020811.db2.gz ZLQKZIYTUSOMDC-INIZCTEOSA-N 2 0 352.482 3.365 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(C)(C)C(=O)N1CCCC1 ZINC000528015987 504041109 /nfs/dbraw/zinc/04/11/09/504041109.db2.gz ZWROEVDFSKTRIW-UYAOXDASSA-N 2 0 357.542 3.135 20 0 FGADRP C[C@@H](OC[C@@H](O)C[NH2+]CC1CC[NH+](C2CC2)CC1)c1ccc(Cl)cc1 ZINC000518966139 504105217 /nfs/dbraw/zinc/10/52/17/504105217.db2.gz DKCLVOSJPBCWLA-QRWLVFNGSA-N 2 0 366.933 3.243 20 0 FGADRP C[C@H]1CCCC[N@@H+]1CCCNC(=O)[C@H](c1cccc(Cl)c1)N(C)C ZINC000518969662 504106581 /nfs/dbraw/zinc/10/65/81/504106581.db2.gz MOYPAFXISQIESO-YJBOKZPZSA-N 2 0 351.922 3.323 20 0 FGADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1Cl ZINC000530879890 504118072 /nfs/dbraw/zinc/11/80/72/504118072.db2.gz AFPGQWDOJOPEKB-LSDHHAIUSA-N 2 0 372.340 3.049 20 0 FGADRP C[N@H+](CCN(Cc1ccccc1)C(=O)[C@H]1CC[NH+](C)C1)Cc1ccccc1 ZINC000530913280 504128339 /nfs/dbraw/zinc/12/83/39/504128339.db2.gz MDJNLEMTOUIQMO-QFIPXVFZSA-N 2 0 365.521 3.099 20 0 FGADRP C[C@H]([NH2+]CC1(O)Cc2ccccc2C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000547503546 504129402 /nfs/dbraw/zinc/12/94/02/504129402.db2.gz UURYTKKZQXZELS-PGRDOPGGSA-N 2 0 350.506 3.017 20 0 FGADRP Cc1cccc([C@H](NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)C(C)(C)C)c1 ZINC000530919860 504131231 /nfs/dbraw/zinc/13/12/31/504131231.db2.gz MHKQDKQVFJOVOB-IBGZPJMESA-N 2 0 362.562 3.217 20 0 FGADRP C[C@@H](CNC(=O)N1CC[N@H+](Cc2ccccc2)C(C)(C)C1)C[NH+]1CCCC1 ZINC000519177909 504158206 /nfs/dbraw/zinc/15/82/06/504158206.db2.gz QZBKRENRGFOKNZ-IBGZPJMESA-N 2 0 372.557 3.024 20 0 FGADRP CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCN2Cc2ccc(Cl)cc2)C1 ZINC000528307781 504161027 /nfs/dbraw/zinc/16/10/27/504161027.db2.gz PAQNYAOYSFJIAZ-MJGOQNOKSA-N 2 0 363.933 3.153 20 0 FGADRP CCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+](Cc2cn(-c3cc[nH+]cc3)nc2C)C1 ZINC000541534442 504167421 /nfs/dbraw/zinc/16/74/21/504167421.db2.gz QBKQGHIORJOKGR-FUHWJXTLSA-N 2 0 369.513 3.093 20 0 FGADRP Cc1nn(-c2cc[nH+]cc2)cc1CN1CC[NH+](Cc2ccccc2C)CC1 ZINC000541536226 504168212 /nfs/dbraw/zinc/16/82/12/504168212.db2.gz GOEJRIDUXPLWQS-UHFFFAOYSA-N 2 0 361.493 3.202 20 0 FGADRP Cc1ccc([C@H](CNC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)[NH+](C)C)cc1 ZINC000519295017 504185612 /nfs/dbraw/zinc/18/56/12/504185612.db2.gz AQRLUXPUULACPN-SFTDATJTSA-N 2 0 368.525 3.200 20 0 FGADRP CO[C@H](C[NH+]1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1)c1ccc(F)cc1 ZINC000528368058 504190040 /nfs/dbraw/zinc/19/00/40/504190040.db2.gz KNPXYJUPYXFDKY-CBGDNZLLSA-N 2 0 364.505 3.334 20 0 FGADRP CO[C@H](C[NH+]1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1)c1ccc(F)cc1 ZINC000528368074 504190371 /nfs/dbraw/zinc/19/03/71/504190371.db2.gz KNPXYJUPYXFDKY-XGHQBKJUSA-N 2 0 364.505 3.334 20 0 FGADRP CCC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000528375639 504194707 /nfs/dbraw/zinc/19/47/07/504194707.db2.gz ZOEVFRRCAQUXFG-YPAWHYETSA-N 2 0 369.553 3.231 20 0 FGADRP CCC[C@H](C)C[NH+]1CCC(C(=O)NCC[N@H+](C)Cc2ccccc2)CC1 ZINC000538306290 504199277 /nfs/dbraw/zinc/19/92/77/504199277.db2.gz NUBHBOUPTLTQSO-IBGZPJMESA-N 2 0 359.558 3.383 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(C[NH2+][C@@H](Cc2ccccc2)C(N)=O)cc1 ZINC000544640877 504202482 /nfs/dbraw/zinc/20/24/82/504202482.db2.gz LYFSGLWLHRVOEW-GCJKJVERSA-N 2 0 365.521 3.247 20 0 FGADRP C[C@@H]1CCC[C@H](C)[NH+]1CCNC(=O)NCCCC[N@H+]1CCCC[C@H]1C ZINC000519381313 504208047 /nfs/dbraw/zinc/20/80/47/504208047.db2.gz WXWUDGWFLFVUTG-QRVBRYPASA-N 2 0 352.567 3.203 20 0 FGADRP C[C@@H]1C[N@@H+](CCCC[NH2+]Cc2cc(O)cc(C(F)(F)F)c2)C[C@H](C)O1 ZINC000519415048 504215737 /nfs/dbraw/zinc/21/57/37/504215737.db2.gz BMGAPYLHUICTPW-OKILXGFUSA-N 2 0 360.420 3.390 20 0 FGADRP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@@H+](C)[C@H](C)C3(C)CC3)CC2)cc1 ZINC000538348927 504216833 /nfs/dbraw/zinc/21/68/33/504216833.db2.gz HYHCAWRQQSTKIA-LJQANCHMSA-N 2 0 357.542 3.150 20 0 FGADRP C[C@@H]1C[NH+](CCCC[NH2+][C@H](c2ccccc2)c2cncnc2)C[C@@H](C)O1 ZINC000541744139 504240527 /nfs/dbraw/zinc/24/05/27/504240527.db2.gz XFWLPCUSGNJDOG-DBXWQHBBSA-N 2 0 354.498 3.045 20 0 FGADRP CC(C)(C)[N@@H+]1CCCN(C(=O)[C@@H]2CCCC[NH+]2Cc2ccccc2)CC1 ZINC000531290712 504254053 /nfs/dbraw/zinc/25/40/53/504254053.db2.gz UMJUFZTUKNRIIW-FQEVSTJZSA-N 2 0 357.542 3.374 20 0 FGADRP C[C@H]([NH2+][C@H](CO)Cc1ccc(F)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000519568269 504256834 /nfs/dbraw/zinc/25/68/34/504256834.db2.gz QMCHHHZWRMPVEG-XJABCFGWSA-N 2 0 356.485 3.229 20 0 FGADRP CC[NH+](CC)[C@H]1CCN(C(=O)NC[C@@H](c2ccc(Cl)cc2)[NH+](C)C)C1 ZINC000531317761 504263462 /nfs/dbraw/zinc/26/34/62/504263462.db2.gz AJBRJQSMXWWBIE-ROUUACIJSA-N 2 0 366.937 3.068 20 0 FGADRP C[C@@H]([NH2+]C[C@@H]1COc2ccccc2O1)c1ccc(OCC[NH+](C)C)cc1 ZINC000538508306 504268059 /nfs/dbraw/zinc/26/80/59/504268059.db2.gz HLTVAYQPPSCDDQ-VQIMIIECSA-N 2 0 356.466 3.118 20 0 FGADRP Cc1cc(NC(=O)N2CC[NH+](C3CCC3)CC2)cnc1N1CCCC[C@@H]1C ZINC000541878073 504286234 /nfs/dbraw/zinc/28/62/34/504286234.db2.gz HHUUTDAJMGBXAC-KRWDZBQOSA-N 2 0 371.529 3.471 20 0 FGADRP Cc1c[nH+]ccc1N1CCC(C(=O)NC[C@H](C2CCCCC2)[NH+](C)C)CC1 ZINC000531441853 504308533 /nfs/dbraw/zinc/30/85/33/504308533.db2.gz AXICEZSGOZFUNH-OAQYLSRUSA-N 2 0 372.557 3.233 20 0 FGADRP C[C@H]1C[C@@H]([NH2+]CC2CC[NH+](CC(=O)NC(C)(C)C)CC2)c2ccccc21 ZINC000519721362 504316125 /nfs/dbraw/zinc/31/61/25/504316125.db2.gz FFHFEWZRCPOJBS-OXJNMPFZSA-N 2 0 357.542 3.451 20 0 FGADRP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](C[C@H]2CCc3ccccc3C2)CC1 ZINC000541985744 504323670 /nfs/dbraw/zinc/32/36/70/504323670.db2.gz LRNSJJQXYIGLAT-NJYVYQBISA-N 2 0 355.570 3.282 20 0 FGADRP CCC[NH+]1CCN(c2ccccc2C[N@H+](C)[C@@H]2CC[NH+](CC)C[C@H]2C)CC1 ZINC000538717387 504339243 /nfs/dbraw/zinc/33/92/43/504339243.db2.gz XQWFPMUAOVTIRZ-IFMALSPDSA-N 3 0 372.601 3.381 20 0 FGADRP C[C@@H]([NH2+]CCCN(C)CC(F)(F)F)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000548155883 504350557 /nfs/dbraw/zinc/35/05/57/504350557.db2.gz ZFEXWIOSMMQCCX-SJLPKXTDSA-N 2 0 357.464 3.371 20 0 FGADRP C[C@H]([NH2+]C[C@H](CO)Cc1ccc(F)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000548155493 504351247 /nfs/dbraw/zinc/35/12/47/504351247.db2.gz UIRZATKMBFWYBH-VLCRHTCISA-N 2 0 370.512 3.477 20 0 FGADRP CC[C@]1(C(=O)NC[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)CCC[NH2+]1 ZINC000519824406 504354829 /nfs/dbraw/zinc/35/48/29/504354829.db2.gz HMODKPIYKSBHSX-UCLAIMLFSA-N 2 0 367.896 3.120 20 0 FGADRP COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]CCC[N@H+](C)C(C)C ZINC000531689057 504393369 /nfs/dbraw/zinc/39/33/69/504393369.db2.gz HERVOJZAPVGVNQ-AWEZNQCLSA-N 2 0 355.910 3.386 20 0 FGADRP CC[N@H+](CCC1CC[NH+](Cc2ccc(C(=O)N(C)C)[nH]2)CC1)CC1CC1 ZINC000538858083 504395094 /nfs/dbraw/zinc/39/50/94/504395094.db2.gz LRAAPVGKERTNCJ-UHFFFAOYSA-N 2 0 360.546 3.051 20 0 FGADRP C[C@H](CC[NH+](C)C)NC(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000520114260 504414888 /nfs/dbraw/zinc/41/48/88/504414888.db2.gz ZBBWVWDDHWMTBI-QAPCUYQASA-N 2 0 366.937 3.116 20 0 FGADRP C[NH+](C)CC[C@H](NC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1)C(C)(C)C ZINC000535426964 504432908 /nfs/dbraw/zinc/43/29/08/504432908.db2.gz HMRLSSATMACOPL-CEXWTWQISA-N 2 0 360.546 3.097 20 0 FGADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)NCC2(C[NH+](C)C)CCCC2)C1 ZINC000545346832 504454338 /nfs/dbraw/zinc/45/43/38/504454338.db2.gz OAMTZJKNNLJVLR-QUCCMNQESA-N 2 0 372.557 3.243 20 0 FGADRP CC(C)[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000539072144 504464424 /nfs/dbraw/zinc/46/44/24/504464424.db2.gz MOMZADKXXHYXJB-RTWAWAEBSA-N 2 0 357.542 3.427 20 0 FGADRP CC[NH+](CC)Cc1ccc(C[NH2+]C2CCN(c3cnccn3)CC2)cc1 ZINC000531944564 504483397 /nfs/dbraw/zinc/48/33/97/504483397.db2.gz CNMYPXCCCWKINF-UHFFFAOYSA-N 2 0 353.514 3.077 20 0 FGADRP C[C@@H]([NH2+]CCn1cnc2ccccc21)c1cccc(OCC[NH+](C)C)c1 ZINC000531952480 504485851 /nfs/dbraw/zinc/48/58/51/504485851.db2.gz IUNAJPQUJGQPML-QGZVFWFLSA-N 2 0 352.482 3.328 20 0 FGADRP CC(C)c1ccc2c(c1)[C@H]([NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1)CCC2 ZINC000535624258 504488476 /nfs/dbraw/zinc/48/84/76/504488476.db2.gz LQAJWKDZEDOLDQ-PZJWPPBQSA-N 2 0 357.542 3.364 20 0 FGADRP C[C@H](CCNC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1)[NH+]1CCCCC1 ZINC000542451779 504494163 /nfs/dbraw/zinc/49/41/63/504494163.db2.gz ORQMIQRSCKIAAK-CTNGQTDRSA-N 2 0 357.542 3.279 20 0 FGADRP C[C@H]1C[NH+](CCOc2ccc(CC[NH2+]Cc3cncs3)cc2)C[C@@H]1C ZINC000539223688 504502419 /nfs/dbraw/zinc/50/24/19/504502419.db2.gz JJIVQARNFWFAPO-IRXDYDNUSA-N 2 0 359.539 3.442 20 0 FGADRP C[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)c1ccc(Cl)c(F)c1 ZINC000535776946 504541217 /nfs/dbraw/zinc/54/12/17/504541217.db2.gz RYFDSICKMSXNOT-AWEZNQCLSA-N 2 0 362.880 3.477 20 0 FGADRP CC(C)[N@H+](C)CC1CC[NH+](CCC(=O)N2CCc3ccccc3C2)CC1 ZINC000548732227 504544859 /nfs/dbraw/zinc/54/48/59/504544859.db2.gz FAVDLRPNRPJLPB-UHFFFAOYSA-N 2 0 357.542 3.014 20 0 FGADRP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000520760502 504576406 /nfs/dbraw/zinc/57/64/06/504576406.db2.gz AZWJXTGTRBMHCG-RTBURBONSA-N 2 0 357.542 3.278 20 0 FGADRP C[C@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+][C@@H]1CN(C2CC2)C[C@H]1C ZINC000532246616 504584618 /nfs/dbraw/zinc/58/46/18/504584618.db2.gz UBNQPKLJWZVHRV-PBFPGSCMSA-N 2 0 369.431 3.495 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1)CC(C)C ZINC000535950941 504591044 /nfs/dbraw/zinc/59/10/44/504591044.db2.gz SWUPVHUWBGCVQZ-VQTJNVASSA-N 2 0 366.594 3.116 20 0 FGADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)CCN(C)c1cc[nH+]cc1)c1ccccc1 ZINC000542784677 504609101 /nfs/dbraw/zinc/60/91/01/504609101.db2.gz WCZAMTFJXCMVOE-QGZVFWFLSA-N 2 0 354.498 3.154 20 0 FGADRP C[N@@H+]1CC[C@@H](C(=O)N2CC(C)(C)[C@@H]2C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000520971093 504618451 /nfs/dbraw/zinc/61/84/51/504618451.db2.gz BUBCMRQHAKEZII-RTWAWAEBSA-N 2 0 369.553 3.087 20 0 FGADRP CC1CC[NH+](Cc2ccc(CNC(=O)N[C@@H]3CC[NH2+]C34CCC4)cc2)CC1 ZINC000529291683 504622999 /nfs/dbraw/zinc/62/29/99/504622999.db2.gz ZJVXCOQAHQDEPV-HXUWFJFHSA-N 2 0 370.541 3.002 20 0 FGADRP CCN(C(=O)N[C@@H]1CC[NH2+]C12CCC2)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000529360032 504645213 /nfs/dbraw/zinc/64/52/13/504645213.db2.gz SCERPFHBTPVLMJ-YSIASYRMSA-N 2 0 370.541 3.138 20 0 FGADRP C[C@H]([NH2+]CCCC[NH+]1CCN(C)CC1)c1sccc1Br ZINC000532450975 504655328 /nfs/dbraw/zinc/65/53/28/504655328.db2.gz NQABSGHVSFYZHU-ZDUSSCGKSA-N 2 0 360.365 3.189 20 0 FGADRP C[N@H+](CCCNC(=O)N[C@@H]1CC[NH+](C)[C@@H]1c1ccccc1)C1CCCCC1 ZINC000536170748 504656612 /nfs/dbraw/zinc/65/66/12/504656612.db2.gz GUSIMWBNAULPDV-NHCUHLMSSA-N 2 0 372.557 3.386 20 0 FGADRP C[N@H+](CCC(=O)NC[C@@H]1CC[NH+](CCc2ccccc2)C1)C1CCCCC1 ZINC000546016248 504675119 /nfs/dbraw/zinc/67/51/19/504675119.db2.gz DEGRHIIXSOFPTK-NRFANRHFSA-N 2 0 371.569 3.322 20 0 FGADRP C[N@H+](CCC(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1)C1CCCCC1 ZINC000546015828 504675346 /nfs/dbraw/zinc/67/53/46/504675346.db2.gz BFMMOYNFPPKFSI-UHFFFAOYSA-N 2 0 372.557 3.027 20 0 FGADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@H]1CCCc2c(Br)cccc21 ZINC000543083496 504717741 /nfs/dbraw/zinc/71/77/41/504717741.db2.gz OPXRWWYWHWOUGI-KSSFIOAISA-N 2 0 366.347 3.052 20 0 FGADRP CCC[NH+]1CCN(C(=O)Nc2ccc(OCC[NH+]3CCCCC3)cc2)CC1 ZINC000532660923 504728532 /nfs/dbraw/zinc/72/85/32/504728532.db2.gz RCDWYESAWOMJJT-UHFFFAOYSA-N 2 0 374.529 3.111 20 0 FGADRP COC(=O)c1cc(C[NH2+]CC[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)cn1C ZINC000521511950 504750115 /nfs/dbraw/zinc/75/01/15/504750115.db2.gz HFKUTABJUVVADF-IEBWSBKVSA-N 2 0 369.509 3.202 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N1CCC[C@@H]1C[NH+]1CCCCC1)CC(C)C ZINC000521522321 504752325 /nfs/dbraw/zinc/75/23/25/504752325.db2.gz XZGVGXFNVZQILB-UXHICEINSA-N 2 0 366.594 3.403 20 0 FGADRP CCN(C(=O)NCC1CC[NH+](CC)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000562306328 504778943 /nfs/dbraw/zinc/77/89/43/504778943.db2.gz BJTQZDSAXWSFEX-NRFANRHFSA-N 2 0 372.557 3.024 20 0 FGADRP COc1ccc([C@@H](C[NH3+])CN(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000565047128 504780691 /nfs/dbraw/zinc/78/06/91/504780691.db2.gz NMXAFCAVNAOTLH-IRLDBZIGSA-N 2 0 367.537 3.191 20 0 FGADRP COc1ccc([C@H](C[NH3+])CN(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000565047129 504780812 /nfs/dbraw/zinc/78/08/12/504780812.db2.gz NMXAFCAVNAOTLH-RBBKRZOGSA-N 2 0 367.537 3.191 20 0 FGADRP CC(C)N(Cc1ccccc1)C(=O)[C@@H](C)[N@@H+]1CC[C@@H](c2nccn2C)C1 ZINC000565154558 504809210 /nfs/dbraw/zinc/80/92/10/504809210.db2.gz BHTMIKMSRQLCAQ-IEBWSBKVSA-N 2 0 354.498 3.035 20 0 FGADRP CC[NH+](CC)CCOc1ccc(C(=O)N2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)cc1 ZINC000553098843 504826871 /nfs/dbraw/zinc/82/68/71/504826871.db2.gz ZKGDNFDWWBLOBC-ICSRJNTNSA-N 2 0 373.541 3.106 20 0 FGADRP Brc1ccn2cc(C[NH2+]CCCCC[NH+]3CCCC3)nc2c1 ZINC000559327129 504835485 /nfs/dbraw/zinc/83/54/85/504835485.db2.gz KKNHSIJZTKURSF-UHFFFAOYSA-N 2 0 365.319 3.453 20 0 FGADRP CC[C@H](C(=O)N1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)[N@H+](C)Cc1ccccc1 ZINC000559337339 504838769 /nfs/dbraw/zinc/83/87/69/504838769.db2.gz UCHXLMJCQHVXHR-CEMLEFRQSA-N 2 0 369.553 3.372 20 0 FGADRP CC[C@H](C)[C@@H]([NH2+]Cc1cncn1C)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000556326020 504845209 /nfs/dbraw/zinc/84/52/09/504845209.db2.gz BJZFWHVSWWFDKN-OXJNMPFZSA-N 2 0 369.513 3.163 20 0 FGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H]2C[C@@H](Oc3ccccc3)C2(C)C)CC1 ZINC000556585620 504911683 /nfs/dbraw/zinc/91/16/83/504911683.db2.gz NFFAVQPEJSZKTI-HMXCVIKNSA-N 2 0 359.558 3.096 20 0 FGADRP Cc1ccc(-c2nc(C[NH+]3CCC([C@H]4OCCC[C@@H]4[NH3+])CC3)co2)cc1 ZINC000562750790 504933494 /nfs/dbraw/zinc/93/34/94/504933494.db2.gz JUMJMBOAFGZMQU-VQTJNVASSA-N 2 0 355.482 3.368 20 0 FGADRP C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)Nc2ccc3c(c2)C[NH2+]CCO3)C1 ZINC000562772514 504940838 /nfs/dbraw/zinc/94/08/38/504940838.db2.gz DVMYIQUHPYTKGI-HOTGVXAUSA-N 2 0 374.529 3.047 20 0 FGADRP CC[NH+](CC)C[C@H](C)NC(=O)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000553598621 504958960 /nfs/dbraw/zinc/95/89/60/504958960.db2.gz DJLXCFPXYAQVMF-SIKLNZKXSA-N 2 0 372.557 3.024 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N1C[C@H]([NH+]2CCCC2)C[C@@H]1C)CC(C)C ZINC000553600133 504959376 /nfs/dbraw/zinc/95/93/76/504959376.db2.gz VXQKVYZZPYVWKM-GBESFXJTSA-N 2 0 352.567 3.011 20 0 FGADRP C[NH+](C)Cc1ccc(C(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)cn1 ZINC000550167989 504983869 /nfs/dbraw/zinc/98/38/69/504983869.db2.gz VXCXKJACQNFSIZ-UHFFFAOYSA-N 2 0 366.509 3.424 20 0 FGADRP CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)[C@@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)c1 ZINC000565796777 504989839 /nfs/dbraw/zinc/98/98/39/504989839.db2.gz ZYQSUJBATBAPBQ-IXDOHACOSA-N 2 0 374.529 3.167 20 0 FGADRP NC(=O)[C@H]1CC[C@H](C[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000562939786 504994284 /nfs/dbraw/zinc/99/42/84/504994284.db2.gz WFNMNRHTTPEQFK-MSEOUXRUSA-N 2 0 369.553 3.168 20 0 FGADRP C[C@H]([NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1-n1ccnn1 ZINC000556877587 505003479 /nfs/dbraw/zinc/00/34/79/505003479.db2.gz HNROKGJRKKYUAU-AZUAARDMSA-N 2 0 361.493 3.440 20 0 FGADRP CCC[N@@H+]1CC[C@H](C[NH2+]C[C@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000562985175 505009312 /nfs/dbraw/zinc/00/93/12/505009312.db2.gz ICVAMZVQXQYEGS-HIFRSBDPSA-N 2 0 361.313 3.055 20 0 FGADRP C[NH+](C)[C@H]1CCC[C@H]([NH2+]CCC(=O)Nc2cccc(C(F)(F)F)c2)C1 ZINC000562988899 505012456 /nfs/dbraw/zinc/01/24/56/505012456.db2.gz CQSSNBIBSJZRBS-HOCLYGCPSA-N 2 0 357.420 3.496 20 0 FGADRP CC[NH+](CC)CCOc1ccc(C(=O)N2CC[C@H]([NH+]3CCCC3)[C@H]2C)cc1 ZINC000553790546 505012504 /nfs/dbraw/zinc/01/25/04/505012504.db2.gz HMGLPFLENWLOQJ-NQIIRXRSSA-N 2 0 373.541 3.106 20 0 FGADRP CC1(C)CC([NH2+]C[C@@H](O)CO[C@@H]2CCCc3ccccc32)CC(C)(C)[NH2+]1 ZINC000550328041 505024045 /nfs/dbraw/zinc/02/40/45/505024045.db2.gz KJPYHWJPVWYAKB-UYAOXDASSA-N 2 0 360.542 3.340 20 0 FGADRP CN(C)CC[NH+]1CCC(C[NH2+][C@@H]2C[C@H](Oc3ccccc3)C2(C)C)CC1 ZINC000560246134 505028765 /nfs/dbraw/zinc/02/87/65/505028765.db2.gz MNLIJNKKWFKDKN-RTWAWAEBSA-N 2 0 359.558 3.096 20 0 FGADRP C[NH+]1CCC(Oc2ccc(CNC3CC[NH+](CC4CC4)CC3)cc2)CC1 ZINC000560270225 505034746 /nfs/dbraw/zinc/03/47/46/505034746.db2.gz KMIDEZRWAOXFFJ-UHFFFAOYSA-N 2 0 357.542 3.124 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)[C@@H](C)[NH2+]C1CC1)c1ccc(C(F)(F)F)cc1 ZINC000563054942 505035188 /nfs/dbraw/zinc/03/51/88/505035188.db2.gz CMXBVCWNXPUMTF-CXAGYDPISA-N 2 0 371.447 3.345 20 0 FGADRP C[N@H+](Cc1ccccc1CNC(=O)N1CCC([NH3+])CC1)C1CCCCC1 ZINC000557119758 505070809 /nfs/dbraw/zinc/07/08/09/505070809.db2.gz QMTJJJFGMHCCSI-UHFFFAOYSA-N 2 0 358.530 3.084 20 0 FGADRP C[N@H+](Cc1ccccc1CNC(=O)NC1(C)CC[NH2+]CC1)C1CCCCC1 ZINC000557119566 505070909 /nfs/dbraw/zinc/07/09/09/505070909.db2.gz JBUCPPQNGMUKRY-UHFFFAOYSA-N 2 0 372.557 3.392 20 0 FGADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H]2CCc3sc(Br)cc32)CC1 ZINC000550623439 505076038 /nfs/dbraw/zinc/07/60/38/505076038.db2.gz YEYWMZGCDKLYEJ-TZMCWYRMSA-N 2 0 372.376 3.114 20 0 FGADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000566089294 505077578 /nfs/dbraw/zinc/07/75/78/505077578.db2.gz UCRFYRDURFLTIL-ZKYQVNSYSA-N 2 0 362.827 3.050 20 0 FGADRP CC[NH+](CC)CC(=O)Nc1cccc(N[C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)c1 ZINC000554145695 505104773 /nfs/dbraw/zinc/10/47/73/505104773.db2.gz VNMRRMUNMHTKMP-XUVXKRRUSA-N 2 0 358.530 3.252 20 0 FGADRP CN1CC[C@@H]([NH2+]C2CCN(c3ccccn3)CC2)C[C@@H]1c1ccccc1 ZINC000551007376 505141198 /nfs/dbraw/zinc/14/11/98/505141198.db2.gz DGFCUPQZQFTVIU-NHCUHLMSSA-N 3 0 350.510 3.476 20 0 FGADRP COc1cc(C[NH+]2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)cc(Cl)c1OC ZINC000563460585 505146333 /nfs/dbraw/zinc/14/63/33/505146333.db2.gz HZEAYFICOMWALL-RDJZCZTQSA-N 2 0 368.905 3.076 20 0 FGADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000560781599 505184841 /nfs/dbraw/zinc/18/48/41/505184841.db2.gz FLUZQBYCAOKYSA-QZTJIDSGSA-N 2 0 358.530 3.019 20 0 FGADRP CC1(C)OCC[C@H]1[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000551265436 505188548 /nfs/dbraw/zinc/18/85/48/505188548.db2.gz VKWODOHPQOZXKD-WOJBJXKFSA-N 2 0 358.526 3.072 20 0 FGADRP C[C@@H]1C[C@@H]([NH2+]CCCC[NH+]2CCN(c3ncccn3)CC2)c2ccccc21 ZINC000563747904 505226672 /nfs/dbraw/zinc/22/66/72/505226672.db2.gz OAMIUPWYVXJWHV-WIYYLYMNSA-N 2 0 365.525 3.217 20 0 FGADRP C[NH+](C)CCc1ccc(C(=O)NCc2ccccc2C[NH+]2CCCC2)cc1 ZINC000561083816 505246504 /nfs/dbraw/zinc/24/65/04/505246504.db2.gz SNXHJQGEMLHWTH-UHFFFAOYSA-N 2 0 365.521 3.317 20 0 FGADRP Cc1nc([C@H]2CCCOC2)sc1C(=O)Nc1cnccc1-n1ccnc1 ZINC000563825441 505249823 /nfs/dbraw/zinc/24/98/23/505249823.db2.gz BGCZQSNGVLEBTN-ZDUSSCGKSA-N 2 0 369.450 3.179 20 0 FGADRP CC[NH+](CC)[C@@H](C(=O)NC[C@H](C)C[NH+](C)C)c1cccc(C(F)(F)F)c1 ZINC000561096598 505250067 /nfs/dbraw/zinc/25/00/67/505250067.db2.gz ZWJJZJHSSOCDOP-WMLDXEAASA-N 2 0 373.463 3.402 20 0 FGADRP [NH3+]C[C@H](Cc1ccccc1)[C@@H]1CCCCN1C(=O)C[C@@H]1CCCC[C@H]1[NH3+] ZINC000566727801 505257015 /nfs/dbraw/zinc/25/70/15/505257015.db2.gz GAPPPQHXRSKVJN-BURNTYAHSA-N 2 0 357.542 3.093 20 0 FGADRP COc1ccc([C@@H](C[NH3+])CN2CC[C@H](C)[N@H+](Cc3ccccc3)CC2)cc1 ZINC000566741221 505260503 /nfs/dbraw/zinc/26/05/03/505260503.db2.gz UJSCUMHFLLOKRX-UGKGYDQZSA-N 2 0 367.537 3.334 20 0 FGADRP CC(C)c1ccc([C@@H]([NH3+])CNC(=O)N2CCC([C@H]3[NH2+]CC3(C)C)CC2)cc1 ZINC000561211555 505282620 /nfs/dbraw/zinc/28/26/20/505282620.db2.gz GLSQOBDDSGNDSF-VQTJNVASSA-N 2 0 372.557 3.229 20 0 FGADRP C[C@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2)[C@]1(C)CCCO1 ZINC000566870585 505296567 /nfs/dbraw/zinc/29/65/67/505296567.db2.gz ZTFBSBJWWCDUMD-NNWRFLSQSA-N 2 0 372.553 3.462 20 0 FGADRP O=C(CC[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1)Nc1ccccc1 ZINC000554959504 505312068 /nfs/dbraw/zinc/31/20/68/505312068.db2.gz GHEBRYZWPJGGKY-LEWJYISDSA-N 2 0 363.505 3.469 20 0 FGADRP COc1ccc([C@H](CN(C)C)[NH2+][C@@H]2CN(Cc3ccccc3)C[C@H]2C)cc1 ZINC000551805566 505313178 /nfs/dbraw/zinc/31/31/78/505313178.db2.gz VFELRUHEKLPCLV-YSZBQJHXSA-N 2 0 367.537 3.408 20 0 FGADRP COC(=O)c1cc(C[NH2+]C2[C@@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)cn1C ZINC000566941623 505317283 /nfs/dbraw/zinc/31/72/83/505317283.db2.gz NOAPDLXJXWLXOZ-IRXDYDNUSA-N 2 0 369.509 3.058 20 0 FGADRP CC(C)Cc1ccc([C@H](C[NH2+][C@@H](C)C(C)(C)n2cncn2)N(C)C)cc1 ZINC000555002703 505325510 /nfs/dbraw/zinc/32/55/10/505325510.db2.gz FTZSEKRAOSUPTI-PXNSSMCTSA-N 2 0 357.546 3.493 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@]2(C)OCCc3sccc32)[C@H](C)C1 ZINC000555003071 505325607 /nfs/dbraw/zinc/32/56/07/505325607.db2.gz NAZXBSQIXQKRBM-IMFGXOCKSA-N 2 0 366.571 3.263 20 0 FGADRP CSC1(C[NH2+][C@H](C)c2ccc3c(c2)C(C)(C)C(=O)N3)CC[NH+](C)CC1 ZINC000555002744 505325653 /nfs/dbraw/zinc/32/56/53/505325653.db2.gz GSCCNVSDRHFTQO-CQSZACIVSA-N 2 0 361.555 3.394 20 0 FGADRP C[C@H]1C[C@@H](c2ccccc2)C[C@@H]([NH2+]Cc2nnc(C3CC[NH2+]CC3)[nH]2)C1 ZINC000566968287 505326902 /nfs/dbraw/zinc/32/69/02/505326902.db2.gz MPPVMWMAJVZXNX-IPELMVKDSA-N 2 0 353.514 3.334 20 0 FGADRP CC1CC[NH+](C2CCC([NH2+]CCS(=O)(=O)c3ccccc3)CC2)CC1 ZINC000564205103 505352778 /nfs/dbraw/zinc/35/27/78/505352778.db2.gz WBNUVBJBKSMYEM-UHFFFAOYSA-N 2 0 364.555 3.093 20 0 FGADRP [NH3+][C@H](CCC(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1)CC1CCCCC1 ZINC000567103018 505363815 /nfs/dbraw/zinc/36/38/15/505363815.db2.gz YVHZAGQMHGPLDI-HSALFYBXSA-N 2 0 361.505 3.157 20 0 FGADRP O=C(NCCC[NH+]1CCCCC1)NC[C@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000561508673 505363980 /nfs/dbraw/zinc/36/39/80/505363980.db2.gz HRRSUNLBWUUGCM-HXUWFJFHSA-N 2 0 364.578 3.206 20 0 FGADRP CCCC[N@H+](C)C[C@@H](C)NC(=O)N[C@@H]1CC[NH+]([C@@H](C)c2ccccc2)C1 ZINC000555148163 505364502 /nfs/dbraw/zinc/36/45/02/505364502.db2.gz IKJZPPMTXQEDCY-WSTZPKSXSA-N 2 0 360.546 3.242 20 0 FGADRP Cc1ccccc1[C@@H]([C@@H](C)NC(=O)NC1CC[NH+](C(C)C)CC1)[NH+](C)C ZINC000558380531 505371630 /nfs/dbraw/zinc/37/16/30/505371630.db2.gz JMOGXEIMGMYWBB-YLJYHZDGSA-N 2 0 360.546 3.158 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1cc(F)cc2cccnc21 ZINC000564319629 505382548 /nfs/dbraw/zinc/38/25/48/505382548.db2.gz LNALLPCHBDNRPX-FQEVSTJZSA-N 2 0 358.505 3.222 20 0 FGADRP C[NH2+][C@@H](CC(C)(C)C)C(=O)Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1 ZINC000564324486 505384824 /nfs/dbraw/zinc/38/48/24/505384824.db2.gz HXMOTKWUKZZHCU-FQEVSTJZSA-N 2 0 372.557 3.181 20 0 FGADRP C[NH+](C)CCN(CC1CCCCC1)C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000558447405 505392918 /nfs/dbraw/zinc/39/29/18/505392918.db2.gz MAYSOWFPKDPMFE-UHFFFAOYSA-N 2 0 374.573 3.402 20 0 FGADRP Cc1ccc(Cl)c(OC[C@H](O)C[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)c1 ZINC000564371912 505397994 /nfs/dbraw/zinc/39/79/94/505397994.db2.gz PVAJBPYAVGSANH-OAHLLOKOSA-N 2 0 354.922 3.287 20 0 FGADRP C[C@H]1C[NH+](CC2CC[NH+](CCOc3ccccc3F)CC2)C[C@H](C)O1 ZINC000555335655 505411115 /nfs/dbraw/zinc/41/11/15/505411115.db2.gz SYELAQMPAZHQES-IRXDYDNUSA-N 2 0 350.478 3.026 20 0 FGADRP C[NH+](C)Cc1cccc(C(=O)N2CCN(c3cc[nH+]c4ccccc43)CC2)c1 ZINC000552148532 505415645 /nfs/dbraw/zinc/41/56/45/505415645.db2.gz NXXJWJAFGIPNKD-UHFFFAOYSA-N 2 0 374.488 3.259 20 0 FGADRP Cc1ncc2n1CC[C@@H](C(=O)NC1CC[NH+]([C@H](C)c3ccccc3)CC1)C2 ZINC000564472382 505428267 /nfs/dbraw/zinc/42/82/67/505428267.db2.gz CQYICCIHTHFWDH-VQIMIIECSA-N 2 0 366.509 3.096 20 0 FGADRP CC[NH+]1CCC(CNC(=O)NC[C@@]2(C)CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000555549725 505454154 /nfs/dbraw/zinc/45/41/54/505454154.db2.gz AGTGQUDMMNGGMK-JOCHJYFZSA-N 2 0 372.557 3.072 20 0 FGADRP [NH3+][C@@H](Cc1ccccc1)C(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000561946601 505475011 /nfs/dbraw/zinc/47/50/11/505475011.db2.gz SPEDOJZBQQWZHG-PMACEKPBSA-N 2 0 371.912 3.163 20 0 FGADRP Clc1ccccc1[C@H]1CCC[C@H]1[NH2+]Cc1nnc(C2CC[NH2+]CC2)[nH]1 ZINC000567492571 505479642 /nfs/dbraw/zinc/47/96/42/505479642.db2.gz GBGHYHMGPVFCDU-NVXWUHKLSA-N 2 0 359.905 3.351 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1c[nH]nc1-c1ccccc1F ZINC000561976797 505483229 /nfs/dbraw/zinc/48/32/29/505483229.db2.gz SDCRHASFLUGIMT-SFHVURJKSA-N 2 0 373.520 3.064 20 0 FGADRP COC1CCN(C2(C[NH2+][C@@H]3CCO[C@@H](C(F)(F)F)C3)CCCC2)CC1 ZINC000562040308 505499385 /nfs/dbraw/zinc/49/93/85/505499385.db2.gz ZBQGHISZNVLIAM-GDBMZVCRSA-N 2 0 364.452 3.110 20 0 FGADRP Clc1ccc([C@H]2CC[C@H]([NH2+]Cc3nnc(C4CC[NH2+]CC4)[nH]3)C2)cc1 ZINC000567581141 505505510 /nfs/dbraw/zinc/50/55/10/505505510.db2.gz YXUANEAOJJLURV-RDJZCZTQSA-N 2 0 359.905 3.351 20 0 FGADRP Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+][C@H](C)C[C@@H](C)[NH3+] ZINC000567589186 505508151 /nfs/dbraw/zinc/50/81/51/505508151.db2.gz ZRLRCVMIWBWQRC-VXGBXAGGSA-N 2 0 351.292 3.159 20 0 FGADRP C[C@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000564827483 505531554 /nfs/dbraw/zinc/53/15/54/505531554.db2.gz JACQYBDCEZPOJT-XJIUQZFPSA-N 2 0 369.431 3.400 20 0 FGADRP CC(C)CC[NH+]1CCC(C[NH2+]C[C@H](O)COc2cccc3[nH]ccc32)CC1 ZINC000567683667 505535286 /nfs/dbraw/zinc/53/52/86/505535286.db2.gz UREOQDXFEXHWDX-IBGZPJMESA-N 2 0 373.541 3.255 20 0 FGADRP C[C@H]([NH3+])C1CCN(C(=O)NCC[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC000567715191 505546770 /nfs/dbraw/zinc/54/67/70/505546770.db2.gz SOJSINBPCKIKBK-WSTZPKSXSA-N 2 0 372.557 3.056 20 0 FGADRP C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000567817473 505565752 /nfs/dbraw/zinc/56/57/52/505565752.db2.gz SKCSHRKZTFGFRS-FGZHOGPDSA-N 2 0 363.505 3.000 20 0 FGADRP CC(C)[NH+]1CCN(c2cccc(NC(=O)[C@@H]3C[C@H]4CCCC[C@H]4[NH2+]3)c2)CC1 ZINC000564992844 505566249 /nfs/dbraw/zinc/56/62/49/505566249.db2.gz KQIOTCSNCCDKCB-UIFIKXQLSA-N 2 0 370.541 3.076 20 0 FGADRP C[C@@H](Cc1ccc(F)cc1Br)[NH2+]CCCC[NH+]1CCOCC1 ZINC000582808804 506429864 /nfs/dbraw/zinc/42/98/64/506429864.db2.gz VCAYBQVUXPDZDP-AWEZNQCLSA-N 2 0 373.310 3.221 20 0 FGADRP CC[C@@H](C)[N@H+](C)CCNC(=O)N1CCC[NH+](CCCc2ccccc2)CC1 ZINC000589221065 506490624 /nfs/dbraw/zinc/49/06/24/506490624.db2.gz NRSSJUYULKBBPU-HXUWFJFHSA-N 2 0 374.573 3.067 20 0 FGADRP CSC1(C[NH2+][C@@H]2CN(Cc3ccccc3)C(C)(C)C2)CC[NH+](C)CC1 ZINC000589326088 506518126 /nfs/dbraw/zinc/51/81/26/506518126.db2.gz OJXGTOSUSGZCOI-IBGZPJMESA-N 2 0 361.599 3.457 20 0 FGADRP COc1cncc(/C=C/CC[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)c1 ZINC000583022493 506545394 /nfs/dbraw/zinc/54/53/94/506545394.db2.gz OJHYJLSGCYRJDL-GORDUTHDSA-N 2 0 373.541 3.318 20 0 FGADRP COC(=O)CC[N@H+](Cc1cc(-n2ccnc2)cs1)Cc1ccccc1 ZINC000612397662 506561427 /nfs/dbraw/zinc/56/14/27/506561427.db2.gz FXGITTKTSIJRCX-UHFFFAOYSA-N 2 0 355.463 3.499 20 0 FGADRP C[C@@H]1C[N@@H+](Cc2ccc(C[NH2+]Cc3[nH]nc4ccccc43)cc2)C[C@H](C)O1 ZINC000589639251 506615542 /nfs/dbraw/zinc/61/55/42/506615542.db2.gz ZDKNPDNIYQZUBE-CALCHBBNSA-N 2 0 364.493 3.462 20 0 FGADRP COc1ccc(C)cc1CN1CCN(Cc2ncc(C)c(OC)c2C)CC1 ZINC000589706074 506635490 /nfs/dbraw/zinc/63/54/90/506635490.db2.gz RUVZPLOVSZZENT-UHFFFAOYSA-N 2 0 369.509 3.342 20 0 FGADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N1CC[C@@H]([NH+](C)Cc2ccccc2)C1 ZINC000608650979 506649255 /nfs/dbraw/zinc/64/92/55/506649255.db2.gz VQGCYZVBDSVRCQ-SVFBPWRDSA-N 2 0 372.557 3.023 20 0 FGADRP CCN(CC(=O)Nc1ccc(Cl)cn1)Cc1ccc(C[NH+](C)C)cc1 ZINC000589999443 506701647 /nfs/dbraw/zinc/70/16/47/506701647.db2.gz IRXFYPUYMOYQBM-UHFFFAOYSA-N 2 0 360.889 3.257 20 0 FGADRP COc1ccccc1[C@H](CNC(=O)C[C@H]1CCCC[C@@H]1[NH3+])[NH+]1CCCCC1 ZINC000583319755 506715874 /nfs/dbraw/zinc/71/58/74/506715874.db2.gz GWVOKRWATDURHY-HOJAQTOUSA-N 2 0 373.541 3.246 20 0 FGADRP CCC[NH+]1CCC(CNC(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000604112931 506718985 /nfs/dbraw/zinc/71/89/85/506718985.db2.gz KEYTVJZGQXBLTN-NRFANRHFSA-N 2 0 372.557 3.072 20 0 FGADRP O=C(N[C@@H](C[NH+]1CCCCC1)c1ccccc1)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000604173075 506736328 /nfs/dbraw/zinc/73/63/28/506736328.db2.gz HDTLDXDZDUIEDW-HKBOAZHASA-N 2 0 370.541 3.140 20 0 FGADRP C[C@H](NC(=O)C[NH+]1CCC(C[NH+](C)C)CC1)c1cccc2ccccc21 ZINC000590125950 506744249 /nfs/dbraw/zinc/74/42/49/506744249.db2.gz XQTWKVUFJNRULG-KRWDZBQOSA-N 2 0 353.510 3.291 20 0 FGADRP CN(CCC[N@H+](C)Cc1ccco1)C(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC000583385013 506750266 /nfs/dbraw/zinc/75/02/66/506750266.db2.gz PNAADQSJUPHHHX-GOSISDBHSA-N 2 0 361.530 3.215 20 0 FGADRP O=C(NCc1ccc(C[NH+]2CCCCCC2)cc1)N[C@@H]1CC12CC[NH2+]CC2 ZINC000612972335 506846532 /nfs/dbraw/zinc/84/65/32/506846532.db2.gz XEPYKALSEOBCPM-HXUWFJFHSA-N 2 0 370.541 3.004 20 0 FGADRP CCCC[N@H+](C)C[C@@H](C)NC(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000583667103 506902430 /nfs/dbraw/zinc/90/24/30/506902430.db2.gz KQKMWYRHKJHPON-LJQANCHMSA-N 2 0 366.594 3.404 20 0 FGADRP CCOC(=O)c1ccc(C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)nc1 ZINC000590685795 506908195 /nfs/dbraw/zinc/90/81/95/506908195.db2.gz UCYODGLFCMLNKM-UHFFFAOYSA-N 2 0 359.514 3.346 20 0 FGADRP C[NH+](C)CC[C@@H](NC(=O)NCc1cccc(C[NH+]2CCCC2)c1)C(C)(C)C ZINC000604778587 506940119 /nfs/dbraw/zinc/94/01/19/506940119.db2.gz YCPHDBGGQXUVLM-HXUWFJFHSA-N 2 0 374.573 3.448 20 0 FGADRP C[NH+](C)CC[C@H](NC(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C)C(C)(C)C ZINC000604807361 506950812 /nfs/dbraw/zinc/95/08/12/506950812.db2.gz FGYPXQMVUVZKOF-ROUUACIJSA-N 2 0 366.525 3.094 20 0 FGADRP O=C(C[N@@H+]1CCC[C@H]1C1CC1)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000590788223 506957327 /nfs/dbraw/zinc/95/73/27/506957327.db2.gz WMNPEHCASXWEMW-IBGZPJMESA-N 2 0 359.539 3.048 20 0 FGADRP C[N@H+](Cc1cccc(I)c1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000583779706 506967915 /nfs/dbraw/zinc/96/79/15/506967915.db2.gz GKJHKCUPHOVULA-XYPWUTKMSA-N 2 0 370.278 3.348 20 0 FGADRP Cc1cc(F)ccc1N1CCC[C@H]([NH+]2CCC(C[NH+]3CCCC3)CC2)C1=O ZINC000604997711 507025190 /nfs/dbraw/zinc/02/51/90/507025190.db2.gz DFKSBSPBDARNPA-NRFANRHFSA-N 2 0 373.516 3.437 20 0 FGADRP O[C@H](C[NH2+]C1CC[NH+](C2CCC2)CC1)CO[C@H]1CCCc2ccccc21 ZINC000583930223 507055710 /nfs/dbraw/zinc/05/57/10/507055710.db2.gz UUNHLPCPUFYYFB-IRLDBZIGSA-N 2 0 358.526 3.048 20 0 FGADRP CC[C@H](C(=O)NC[C@@H](c1cccc(OC)c1)[NH+]1CCCC1)[NH+](CC)CC ZINC000605423530 507187449 /nfs/dbraw/zinc/18/74/49/507187449.db2.gz OOMQPVWLTOSNPQ-UXHICEINSA-N 2 0 361.530 3.069 20 0 FGADRP C[N@H+](CCNC(=O)NCc1ccccc1C[NH+]1CCCCC1)C1CCCC1 ZINC000591405752 507237644 /nfs/dbraw/zinc/23/76/44/507237644.db2.gz VRKBALWEYBKMOZ-UHFFFAOYSA-N 2 0 372.557 3.346 20 0 FGADRP C[C@@H](NC(=O)[C@H](C)[NH+]1CCC(Cc2ccccc2)CC1)C1CC[NH+](C)CC1 ZINC000601045985 507240932 /nfs/dbraw/zinc/24/09/32/507240932.db2.gz ZAHJGPSWJLOCOA-MOPGFXCFSA-N 2 0 371.569 3.176 20 0 FGADRP CC(C)[N@H+](C)CCNC(=O)c1ccccc1OCC[NH+]1CCCC[C@@H]1C ZINC000591453145 507256347 /nfs/dbraw/zinc/25/63/47/507256347.db2.gz UZAQSLJOCHTGCI-SFHVURJKSA-N 2 0 361.530 3.010 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)N1CCC[C@H]1C[NH+]1CCCC1)CC(C)C ZINC000591552244 507289992 /nfs/dbraw/zinc/28/99/92/507289992.db2.gz LSBVDNMZIPZAIR-RBUKOAKNSA-N 2 0 352.567 3.013 20 0 FGADRP CCC(CC)[C@@H](CNC(=O)N1CCC[C@@H]([NH2+]C(C)C)C1)[NH+]1CCCC1 ZINC000601229952 507303668 /nfs/dbraw/zinc/30/36/68/507303668.db2.gz GSHSVIVEEBRFGT-RTBURBONSA-N 2 0 352.567 3.059 20 0 FGADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N[C@H](C)C[NH+]2CCCCC2)C1 ZINC000601243438 507309518 /nfs/dbraw/zinc/30/95/18/507309518.db2.gz MCKCQQMBSZEVLV-QZTJIDSGSA-N 2 0 352.567 3.061 20 0 FGADRP COC(=O)[C@@H]1C[C@H]1[C@H](C)[NH2+]Cc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000594919799 507315628 /nfs/dbraw/zinc/31/56/28/507315628.db2.gz BEZRSLVONZBZOX-RYGJVYDSSA-N 2 0 356.466 3.199 20 0 FGADRP Cc1ccc(-c2cc(C[NH+]3CCC([C@H]4C[C@H]([NH3+])CCO4)CC3)on2)cc1 ZINC000584460449 507357628 /nfs/dbraw/zinc/35/76/28/507357628.db2.gz IAYZTGDWBRTHQV-WIYYLYMNSA-N 2 0 355.482 3.368 20 0 FGADRP C[C@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+]C[C@@H]1CNc2ccnn2C1 ZINC000595145013 507408595 /nfs/dbraw/zinc/40/85/95/507408595.db2.gz YSASJRHVWNHLMF-ZWKOTPCHSA-N 2 0 353.514 3.089 20 0 FGADRP CSC1(C[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CC[NH+](C)CC1 ZINC000584559564 507410268 /nfs/dbraw/zinc/41/02/68/507410268.db2.gz WUCYGKZMVCHUOG-PWRODBHTSA-N 3 0 373.610 3.314 20 0 FGADRP C[NH+](C)CCN(CC1CCCCC1)C(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000606619781 507455890 /nfs/dbraw/zinc/45/58/90/507455890.db2.gz QYWWIWDVGYRTNT-OAQYLSRUSA-N 2 0 374.573 3.443 20 0 FGADRP Cc1ccc([C@H](CNC(=O)N2CC[N@@H+](C)C[C@H]2C(C)C)[NH+]2CCCC2)cc1 ZINC000606662077 507473415 /nfs/dbraw/zinc/47/34/15/507473415.db2.gz MAZQZGAFDJGXMT-SFTDATJTSA-N 2 0 372.557 3.114 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1cccc2c1CCCC2 ZINC000607055829 507599943 /nfs/dbraw/zinc/59/99/43/507599943.db2.gz GQKHDHUVHGJLRA-IBGZPJMESA-N 2 0 372.557 3.445 20 0 FGADRP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000595637168 507607178 /nfs/dbraw/zinc/60/71/78/507607178.db2.gz XYIZNGVZBSLITM-KRWDZBQOSA-N 2 0 352.567 3.249 20 0 FGADRP CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)c2ccc(OCC[NH+](C)C)cc2)[C@@H]1SC ZINC000592394834 507636940 /nfs/dbraw/zinc/63/69/40/507636940.db2.gz LHQJXSWUZFOPEA-PIKADFDJSA-N 2 0 352.544 3.187 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)N[C@@H]2CC[NH+](C3CCCC3)C2)C1 ZINC000592506010 507683714 /nfs/dbraw/zinc/68/37/14/507683714.db2.gz DBJPGUKPIGNRHG-FGTMMUONSA-N 2 0 364.578 3.059 20 0 FGADRP Cc1nc(NCc2ccccc2C[N@H+]2CCCC[C@@H]2C)nc(N(C)C)n1 ZINC000488438815 516225021 /nfs/dbraw/zinc/22/50/21/516225021.db2.gz YQZLWAWFWPJYCA-HNNXBMFYSA-N 2 0 354.502 3.233 20 0 FGADRP Nc1nc(CN2C[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)nc2ccccc12 ZINC000519035637 516862819 /nfs/dbraw/zinc/86/28/19/516862819.db2.gz BCOYAFVDIZRPPD-MOPGFXCFSA-N 2 0 373.504 3.166 20 0 FGADRP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NCC(=O)N1CCCCCC1 ZINC000390843090 568319804 /nfs/dbraw/zinc/31/98/04/568319804.db2.gz DUZHAFLBYBDARS-FQEVSTJZSA-N 2 0 357.542 3.279 20 0 FGADRP Fc1ccc(-c2nn[nH]n2)c(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)c1 ZINC000826372915 607750463 /nfs/dbraw/zinc/75/04/63/607750463.db2.gz RGBWYTMIJLGPKW-UHFFFAOYSA-N 2 0 372.492 3.094 20 0 FGADRP c1ccc(-c2ccc(C[NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)cc2)c(-c2nn[nH]n2)c1 ZINC000826519339 608363373 /nfs/dbraw/zinc/36/33/73/608363373.db2.gz UVPCEXMIMOQBER-RBUKOAKNSA-N 2 0 374.492 3.250 20 0 FGADRP C[C@@H]([NH2+]CCCC[N@@H+]1CCCC[C@H]1C)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824585490 609133171 /nfs/dbraw/zinc/13/31/71/609133171.db2.gz RIIUIGFJUBIGKQ-HUUCEWRRSA-N 2 0 360.481 3.311 20 0 FGADRP CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000123403998 700704310 /nfs/dbraw/zinc/70/43/10/700704310.db2.gz BHGFYWPPJCFLOA-ROUUACIJSA-N 2 0 351.535 3.429 20 0 FGADRP C[NH+](C)CCC1CC[NH+](C[C@H](O)c2cccc(Br)c2)CC1 ZINC000124140600 700715777 /nfs/dbraw/zinc/71/57/77/700715777.db2.gz WWAOESITQHTNPA-KRWDZBQOSA-N 2 0 355.320 3.146 20 0 FGADRP C[NH+]1CCN(C(C)(C)C[NH2+]Cc2ccc(Cl)c(Br)c2)CC1 ZINC000137072844 704867628 /nfs/dbraw/zinc/86/76/28/704867628.db2.gz XNXRTZXGYKRXSR-UHFFFAOYSA-N 2 0 374.754 3.218 20 0 FGADRP CCc1nc(CN2CCC(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)CC2)cs1 ZINC000166572836 705344957 /nfs/dbraw/zinc/34/49/57/705344957.db2.gz PONXFCIGPOEUKY-IEBWSBKVSA-N 2 0 362.587 3.134 20 0 FGADRP S=c1oc2ccccc2n1CN1CCC(OCC[NH+]2CCCC2)CC1 ZINC000174101919 705487024 /nfs/dbraw/zinc/48/70/24/705487024.db2.gz UIAPGKLFYGICDX-UHFFFAOYSA-N 2 0 361.511 3.498 20 0 FGADRP C[C@H](C[C@@H]1CCCN1C(=O)OC(C)(C)C)[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000177489214 705624751 /nfs/dbraw/zinc/62/47/51/705624751.db2.gz YEEPBEPURPZGRQ-RYRKJORJSA-N 2 0 351.535 3.238 20 0 FGADRP CCC[N@H+](C)C[C@H]1CC[NH+](C[C@]2(C)CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000195175666 713548068 /nfs/dbraw/zinc/54/80/68/713548068.db2.gz RGPBJNZLVJFRFH-XLIONFOSSA-N 2 0 353.551 3.297 20 0 FGADRP [NH3+]Cc1ccc(C(=O)NCC2CC[NH+](Cc3ccccc3Cl)CC2)o1 ZINC000237965347 713599332 /nfs/dbraw/zinc/59/93/32/713599332.db2.gz RKVFEVWMLJVVSB-UHFFFAOYSA-N 2 0 361.873 3.034 20 0 FGADRP C[C@H](C(=O)N1CC[NH2+]C[C@H]1c1cccc(Cl)c1)[C@H]([NH3+])c1ccccc1 ZINC000261722585 713713149 /nfs/dbraw/zinc/71/31/49/713713149.db2.gz JLWKTLRSERZWSY-JVPBZIDWSA-N 2 0 357.885 3.149 20 0 FGADRP C[NH+]1CCN(C(C)(C)C[NH2+][C@H]2CCc3c2cccc3Br)CC1 ZINC000319638836 713809979 /nfs/dbraw/zinc/80/99/79/713809979.db2.gz HBAUUKPOABTNAY-KRWDZBQOSA-N 2 0 366.347 3.052 20 0 FGADRP C[C@@H]1CN(Cc2cccc(C(F)(F)F)c2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000374296349 713911495 /nfs/dbraw/zinc/91/14/95/713911495.db2.gz NBOPQCNJWYCRIX-CRAIPNDOSA-N 2 0 355.448 3.163 20 0 FGADRP CC(C)[NH+]1CCC([NH2+]C[C@]2(C)CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000378937044 713975295 /nfs/dbraw/zinc/97/52/95/713975295.db2.gz FSWVYEIDPZVGPN-FQEVSTJZSA-N 2 0 353.551 3.486 20 0 FGADRP CC(C)(C)OC(=O)N[C@@H]1CCCCC[C@@H]1[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000385405792 713983161 /nfs/dbraw/zinc/98/31/61/713983161.db2.gz AEQMXHISTGOOJN-XWTMOSNGSA-N 2 0 351.535 3.429 20 0 FGADRP C[C@H]([NH2+]C[C@H](O)COc1cc(Cl)ccc1Cl)C1CC[NH+](C)CC1 ZINC000396455817 713991450 /nfs/dbraw/zinc/99/14/50/713991450.db2.gz MQKYLGJTQARGAT-WFASDCNBSA-N 2 0 361.313 3.053 20 0 FGADRP CCOCCOc1ccc(Br)cc1C[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000414922165 714005617 /nfs/dbraw/zinc/00/56/17/714005617.db2.gz GNLHCCUHHZTOCY-CVEARBPZSA-N 2 0 371.319 3.224 20 0 FGADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)C1 ZINC000414935469 714005999 /nfs/dbraw/zinc/00/59/99/714005999.db2.gz YOLXWVBJUTVXFO-IAGOWNOFSA-N 2 0 352.404 3.310 20 0 FGADRP C[C@@H](O)[C@@H]1C[C@H](C)CC[N@@H+]1CCCCC[NH+]1CC[C@H](C)C[C@@H]1[C@H](C)O ZINC000443322450 714031612 /nfs/dbraw/zinc/03/16/12/714031612.db2.gz UDXNKFINGNUEOR-AIAJZDAFSA-N 2 0 354.579 3.119 20 0 FGADRP C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCC(C)CC1)C1CCC(C(F)(F)F)CC1 ZINC000474729683 714083730 /nfs/dbraw/zinc/08/37/30/714083730.db2.gz PHHIXAZNOAORCZ-VXLLPVPCSA-N 2 0 350.469 3.426 20 0 FGADRP C[C@H](C[NH2+]C1CCN(CC[NH+](C)C)CC1)c1ccc(C(F)(F)F)cc1 ZINC000579885801 714499853 /nfs/dbraw/zinc/49/98/53/714499853.db2.gz LHFNISXQSDIDJL-OAHLLOKOSA-N 2 0 357.464 3.425 20 0 FGADRP C[N@@H+]1CC[C@H]([NH2+]C2CCN(Cc3ccc(F)c(F)c3)CC2)CC1(C)C ZINC000623363396 715318839 /nfs/dbraw/zinc/31/88/39/715318839.db2.gz RHIMWHOVEYZZEH-KRWDZBQOSA-N 2 0 351.485 3.392 20 0 FGADRP C[N@@H+]1CC[C@@H]([NH2+]C[C@H](O)COc2cccc(Cl)c2Cl)CC1(C)C ZINC000623377044 715321154 /nfs/dbraw/zinc/32/11/54/715321154.db2.gz LKNVSADIFAOSPT-OLZOCXBDSA-N 2 0 361.313 3.196 20 0 FGADRP Cc1ccc(Br)cc1[C@H](C)[NH2+]CCCN1CC[NH+](C)CC1 ZINC000623853908 715415552 /nfs/dbraw/zinc/41/55/52/715415552.db2.gz LGWJYFYKEBRYDG-HNNXBMFYSA-N 2 0 354.336 3.046 20 0 FGADRP CCC[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1cc(C)sc1C ZINC000623888670 715424740 /nfs/dbraw/zinc/42/47/40/715424740.db2.gz PKPATUGQOJOHCK-FUHWJXTLSA-N 2 0 351.560 3.383 20 0 FGADRP C[C@@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]C[C@@H]1CCCC[N@H+](C)C1 ZINC000624120663 715477214 /nfs/dbraw/zinc/47/72/14/715477214.db2.gz DPCQKGXKXCDBMD-IRXDYDNUSA-N 2 0 365.949 3.399 20 0 FGADRP C[NH+](C)[C@H](CNC(=O)NC[C@@H]1CC[N@@H+]1C1CCCCC1)c1cccs1 ZINC000624548434 715553938 /nfs/dbraw/zinc/55/39/38/715553938.db2.gz OSQSEEDQWVVBFR-DLBZAZTESA-N 2 0 364.559 3.057 20 0 FGADRP CCOC(=O)C(F)(F)[C@@H]1CCC[C@@H]([NH2+]C2CC[NH+](C3CCC3)CC2)C1 ZINC000779396790 724411549 /nfs/dbraw/zinc/41/15/49/724411549.db2.gz QKUPSWWUZHDUSN-GDBMZVCRSA-N 2 0 358.473 3.350 20 0 FGADRP C[NH+](C)C[C@@H](NC(=O)N[C@H]1CCC[NH2+]CC1)c1ccc(Cl)c(Cl)c1 ZINC000627086162 715994644 /nfs/dbraw/zinc/99/46/44/715994644.db2.gz JKSMQLWKQLXYNO-XJKSGUPXSA-N 2 0 373.328 3.037 20 0 FGADRP C[C@@H]1CC[C@H](NC(=O)N[C@H](C[NH+](C)C)c2ccc(Cl)c(Cl)c2)C[NH2+]1 ZINC000627209660 716008081 /nfs/dbraw/zinc/00/80/81/716008081.db2.gz UBTMMUXLUSLHET-PVXIVEMSSA-N 2 0 373.328 3.036 20 0 FGADRP C[NH+](C)C[C@@H](NC(=O)N[C@@H]1CCCC[C@H]1[NH3+])c1ccc(Cl)c(Cl)c1 ZINC000627219719 716009096 /nfs/dbraw/zinc/00/90/96/716009096.db2.gz CWSZEPQESIXECC-BZUAXINKSA-N 2 0 373.328 3.165 20 0 FGADRP CC(C)Oc1ccc(CNC[C@H](O)C[NH+]2CCCC2)c(C(F)(F)F)c1 ZINC000629559424 716306918 /nfs/dbraw/zinc/30/69/18/716306918.db2.gz QWVRTAVCTQBAMJ-HNNXBMFYSA-N 2 0 360.420 3.039 20 0 FGADRP COc1cc(C[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)ccc1SC ZINC000629590809 716314430 /nfs/dbraw/zinc/31/44/30/716314430.db2.gz PZOSRUKQJKMOBA-KRWDZBQOSA-N 2 0 350.528 3.008 20 0 FGADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccc(CC(F)(F)F)cc1 ZINC000638178076 717417195 /nfs/dbraw/zinc/41/71/95/717417195.db2.gz FAKHYBNLVXRJKH-KURKYZTESA-N 2 0 356.432 3.475 20 0 FGADRP CN1CC[C@@H]([NH2+]CCC[NH+](C)C)C[C@@H]1c1ccc(Br)cc1 ZINC000638289459 717430304 /nfs/dbraw/zinc/43/03/04/717430304.db2.gz JHVUMLOKQXMOML-IAGOWNOFSA-N 2 0 354.336 3.126 20 0 FGADRP C[C@H]([NH2+]C1CC[NH+](CC(C)(C)O)CC1)c1ccc(Br)cc1 ZINC000638291961 717431567 /nfs/dbraw/zinc/43/15/67/717431567.db2.gz UDKDAGYHORKDSZ-ZDUSSCGKSA-N 2 0 355.320 3.335 20 0 FGADRP C[NH+](C)C1CCC([NH2+]C[C@H](O)COc2ccc(Cl)c(Cl)c2)CC1 ZINC000644675197 718141033 /nfs/dbraw/zinc/14/10/33/718141033.db2.gz ZVTOMVPLHDXTOM-RUXDESIVSA-N 2 0 361.313 3.196 20 0 FGADRP Brc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[C@H]3C[NH2+]C[C@H]3C1)CCO2 ZINC000647550741 718367181 /nfs/dbraw/zinc/36/71/81/718367181.db2.gz FOGYCMIHLNTJLI-KLZCAUPSSA-N 2 0 351.288 3.250 20 0 FGADRP c1csc(-c2noc(CCC[N@@H+]3CCC[C@H]([C@@H]4CCC[NH2+]C4)C3)n2)c1 ZINC000647975653 718390869 /nfs/dbraw/zinc/39/08/69/718390869.db2.gz DDAIPNQFAKMEQP-CVEARBPZSA-N 2 0 360.527 3.442 20 0 FGADRP c1ccc2sc(CN3CC[NH+](CCCC4CC[NH2+]CC4)CC3)nc2c1 ZINC000647988510 718392877 /nfs/dbraw/zinc/39/28/77/718392877.db2.gz UTOCKAZVYPKMJR-UHFFFAOYSA-N 2 0 358.555 3.194 20 0 FGADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)[C@@H]([NH3+])c1cccc(Cl)c1 ZINC000648152362 718401513 /nfs/dbraw/zinc/40/15/13/718401513.db2.gz SQKYBVRCFPKQCE-IBGZPJMESA-N 2 0 359.901 3.450 20 0 FGADRP CC(C)(C)c1nc(CN2CC[NH+](CCCC3CC[NH2+]CC3)CC2)cs1 ZINC000649411883 718512513 /nfs/dbraw/zinc/51/25/13/718512513.db2.gz NOTFIZOVFQTWBL-UHFFFAOYSA-N 2 0 364.603 3.338 20 0 FGADRP C[C@@H](c1nc2ccccc2s1)N1CC[NH+](CC[C@H]2CCC[NH2+]C2)CC1 ZINC000649414806 718512850 /nfs/dbraw/zinc/51/28/50/718512850.db2.gz ZAIGSLGZMWQSTL-DLBZAZTESA-N 2 0 358.555 3.365 20 0 FGADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@H+](Cc3cc(Br)cs3)C2)C1 ZINC000650705267 718716514 /nfs/dbraw/zinc/71/65/14/718716514.db2.gz ASOBALZSUJJYDI-KYOSRNDESA-N 2 0 359.333 3.229 20 0 FGADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@H+](Cc3ccccc3Br)C2)C1 ZINC000650705717 718716772 /nfs/dbraw/zinc/71/67/72/718716772.db2.gz STXRKIDVAWZLNX-INMHGKMJSA-N 2 0 353.304 3.167 20 0 FGADRP CCOc1c(Cl)cccc1C[N@@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000650707930 718717593 /nfs/dbraw/zinc/71/75/93/718717593.db2.gz QDICMGHYXICPAE-ZVZYQTTQSA-N 2 0 352.906 3.457 20 0 FGADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@H+](Cc3sccc3Br)C2)C1 ZINC000650707682 718717687 /nfs/dbraw/zinc/71/76/87/718717687.db2.gz KSUCRHQELMKLDU-SCRDCRAPSA-N 2 0 359.333 3.229 20 0 FGADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2Cc2cc(Cl)cc3c2OCC3)C1 ZINC000650723728 718721179 /nfs/dbraw/zinc/72/11/79/718721179.db2.gz SJEHPAMWESFKBN-SQNIBIBYSA-N 2 0 350.890 3.136 20 0 FGADRP C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)C[N@@H+]1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000652355301 718936297 /nfs/dbraw/zinc/93/62/97/718936297.db2.gz UDWFPOXTIBJOQF-RVKKMQEKSA-N 2 0 351.922 3.309 20 0 FGADRP C[C@H]1CCC[N@H+](CCC(=O)Nc2ccccc2Br)[C@H]1CC[NH3+] ZINC000652354441 718936364 /nfs/dbraw/zinc/93/63/64/718936364.db2.gz YRIMNLNEYHOFDN-BBRMVZONSA-N 2 0 368.319 3.227 20 0 FGADRP C[C@@H]1CN(c2ccc3c(n2)CC[NH+](Cc2ccccc2)C3)[C@@H](C)C[N@@H+]1C ZINC001164631040 719181091 /nfs/dbraw/zinc/18/10/91/719181091.db2.gz ADUJXSUMFMTPGN-MSOLQXFVSA-N 2 0 350.510 3.169 20 0 FGADRP c1csc([C@@H](CNC2CC[NH+](C[C@H]3CCCO3)CC2)[NH+]2CCCC2)c1 ZINC000655680761 719324950 /nfs/dbraw/zinc/32/49/50/719324950.db2.gz RNGLQTLQXVJJEO-RTBURBONSA-N 2 0 363.571 3.118 20 0 FGADRP Cc1nn(-c2cccc(Br)c2)cc1C[NH2+]CCCC[NH+](C)C ZINC000655722100 719329680 /nfs/dbraw/zinc/32/96/80/719329680.db2.gz WVCIKDIQEUNJCY-UHFFFAOYSA-N 2 0 365.319 3.375 20 0 FGADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2cc(Cl)ccc2OC[C@@H]2CCCO2)C1 ZINC000655827247 719345168 /nfs/dbraw/zinc/34/51/68/719345168.db2.gz ORSRWBXUGJZPIQ-QGTPRVQTSA-N 2 0 352.906 3.328 20 0 FGADRP C[NH+]1CCN(C[C@H]([NH2+]CCc2ccc(Cl)cc2)c2ccccc2)CC1 ZINC000656465466 719394697 /nfs/dbraw/zinc/39/46/97/719394697.db2.gz YOBWUZKNLTYQQR-NRFANRHFSA-N 2 0 357.929 3.461 20 0 FGADRP C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]CC1([NH3+])CCCC1 ZINC000656788797 719471060 /nfs/dbraw/zinc/47/10/60/719471060.db2.gz CQOFRMHNMJKBLX-GFCCVEGCSA-N 2 0 354.292 3.027 20 0 FGADRP CC(C)Cc1ncc(C[NH2+]CC2CC[NH+](C3CCOCC3)CC2)s1 ZINC000657535314 719668047 /nfs/dbraw/zinc/66/80/47/719668047.db2.gz JHNOFFOJHYDWMY-UHFFFAOYSA-N 2 0 351.560 3.322 20 0 FGADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H](C)c1ccc(Br)c(Cl)c1 ZINC000657880932 719724938 /nfs/dbraw/zinc/72/49/38/719724938.db2.gz OEUIEZWEEDFICK-CHWSQXEVSA-N 2 0 374.754 3.389 20 0 FGADRP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@@H]1CCc2sc(Br)cc21 ZINC000658110103 719758173 /nfs/dbraw/zinc/75/81/73/719758173.db2.gz ZXDGHYPTLZGWQB-GXTWGEPZSA-N 2 0 374.392 3.360 20 0 FGADRP CO[C@@H]1CCC[C@H]([C@H](CO)[NH2+]C2CC[NH+]([C@H]3CCC[C@H](C)C3)CC2)C1 ZINC000658113508 719759019 /nfs/dbraw/zinc/75/90/19/719759019.db2.gz GYZRMZJLZULGEV-UGKANONSSA-N 2 0 352.563 3.185 20 0 FGADRP C[NH+](C)CCCC1CC[NH+](C[C@H]2CCCN(C(=O)C(C)(C)C)C2)CC1 ZINC000660157186 719998982 /nfs/dbraw/zinc/99/89/82/719998982.db2.gz JAALMETZVRVMCW-LJQANCHMSA-N 2 0 351.579 3.325 20 0 FGADRP COc1cccc(SCC[NH+]2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)c1 ZINC000662281839 720409601 /nfs/dbraw/zinc/40/96/01/720409601.db2.gz PXISGUNPCOWTBM-QFBILLFUSA-N 2 0 350.528 3.006 20 0 FGADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@H+](CCSc3ccc(F)cc3F)C2)C1 ZINC000662285547 720409847 /nfs/dbraw/zinc/40/98/47/720409847.db2.gz LJFCFGSSKFOZRK-FRFSOERESA-N 2 0 356.482 3.275 20 0 FGADRP C[C@H](NC(=O)C[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1)c1ccccc1Cl ZINC000662290341 720410512 /nfs/dbraw/zinc/41/05/12/720410512.db2.gz CMDLXNNWXVAWKF-RDJZCZTQSA-N 2 0 363.933 3.229 20 0 FGADRP C[NH+](C)[C@@H](CNC(=O)c1ccc2c(c1)[C@H](C[NH3+])CCC2)c1ccsc1 ZINC000662378639 720423267 /nfs/dbraw/zinc/42/32/67/720423267.db2.gz DJSOEKKFECAEAO-LPHOPBHVSA-N 2 0 357.523 3.159 20 0 FGADRP CC[C@H]([NH2+]C)C(=O)NC[C@@H](c1ccc(C(F)(F)F)cc1)[NH+](CC)CC ZINC000662412045 720426057 /nfs/dbraw/zinc/42/60/57/720426057.db2.gz HIAZUQSEMQQSAW-HOTGVXAUSA-N 2 0 359.436 3.203 20 0 FGADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)c1cc2c(s1)CC[NH2+]C2 ZINC000662439470 720428446 /nfs/dbraw/zinc/42/84/46/720428446.db2.gz CJQOICCZSNTJBE-UHFFFAOYSA-N 2 0 357.523 3.118 20 0 FGADRP C[NH+](C)[C@@H](CNC(=O)c1cc2c(s1)CC[NH2+]C2)c1ccc(Cl)cc1 ZINC000662487375 720434093 /nfs/dbraw/zinc/43/40/93/720434093.db2.gz RQTLNIWYLUXSBX-HNNXBMFYSA-N 2 0 363.914 3.080 20 0 FGADRP CC[NH+](CC)[C@H](C(=O)N(C)CC(C)(C)[NH3+])c1cccc(C(F)(F)F)c1 ZINC000662608180 720446176 /nfs/dbraw/zinc/44/61/76/720446176.db2.gz VPTRYHHVKBYHRK-HNNXBMFYSA-N 2 0 359.436 3.284 20 0 FGADRP CC[NH+](CC)CCN(Cc1ccc(Cl)cc1)C(=O)[C@@H]1CCC[NH2+]CC1 ZINC000662870378 720464282 /nfs/dbraw/zinc/46/42/82/720464282.db2.gz GMVDRBGIJKNKSE-GOSISDBHSA-N 2 0 365.949 3.400 20 0 FGADRP CC(C)(c1ccnc(Cl)c1)N1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001164738250 720596636 /nfs/dbraw/zinc/59/66/36/720596636.db2.gz BGGKSOXJECHUKX-UHFFFAOYSA-N 2 0 373.932 3.321 20 0 FGADRP Brc1cccc(-c2c[nH]c(C[NH2+][C@H]3CC34CC[NH2+]CC4)n2)c1 ZINC000666953701 721004544 /nfs/dbraw/zinc/00/45/44/721004544.db2.gz FOLZCOPSSWKEEY-HNNXBMFYSA-N 2 0 361.287 3.071 20 0 FGADRP Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000666953777 721004779 /nfs/dbraw/zinc/00/47/79/721004779.db2.gz HUEDJQKTRBITDF-LJQANCHMSA-N 2 0 358.917 3.433 20 0 FGADRP CN1CC[NH+](CC2(C)CC[NH+](Cc3cc4ccncc4s3)CC2)CC1 ZINC000667983119 721208803 /nfs/dbraw/zinc/20/88/03/721208803.db2.gz APTWQGXMZQXVBB-UHFFFAOYSA-N 2 0 358.555 3.146 20 0 FGADRP [NH3+]C1CCC(NC(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)CC1 ZINC000668678501 721329496 /nfs/dbraw/zinc/32/94/96/721329496.db2.gz YYFYFTKMTOQXLF-JTTJXQCZSA-N 2 0 364.921 3.046 20 0 FGADRP CN(C)c1cccc(N2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)[nH+]1 ZINC001164793538 721490734 /nfs/dbraw/zinc/49/07/34/721490734.db2.gz SKKSCTYPYWQBIQ-UHFFFAOYSA-N 2 0 365.525 3.424 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@H](CO)c2ccc(Cl)cc2)[C@@H](C)C1 ZINC000672620776 721639461 /nfs/dbraw/zinc/63/94/61/721639461.db2.gz RNUDOZGSMZTFND-QRFRQXIXSA-N 2 0 368.949 3.143 20 0 FGADRP OC[C@H](C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)Cc1ccc(C(F)(F)F)cc1 ZINC000678600172 721966734 /nfs/dbraw/zinc/96/67/34/721966734.db2.gz JMUJUELSLKRDHJ-SZMVWBNQSA-N 2 0 356.432 3.073 20 0 FGADRP C[C@H]1C[N@H+](CCOc2ccc(CC[NH2+]Cc3nccs3)cc2)C[C@H]1C ZINC000678733350 721974724 /nfs/dbraw/zinc/97/47/24/721974724.db2.gz IOKNHPYNXBKQMR-CALCHBBNSA-N 2 0 359.539 3.442 20 0 FGADRP C[NH+]1CCN(CCC(C)(C)[NH2+]Cc2csc(-c3ccccc3)n2)CC1 ZINC000681136465 722188205 /nfs/dbraw/zinc/18/82/05/722188205.db2.gz UFHLVWIZDIFOAB-UHFFFAOYSA-N 2 0 358.555 3.316 20 0 FGADRP Fc1cccc(C[N@@H+]2CC[C@]23CCCN(c2ccc4c(n2)CC[NH2+]C4)C3)c1 ZINC001164995044 722193954 /nfs/dbraw/zinc/19/39/54/722193954.db2.gz RNDDRBZQHKJGBL-QFIPXVFZSA-N 2 0 366.484 3.111 20 0 FGADRP C[N@@H+]1CCC[C@H](C[NH2+]CC2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)C1 ZINC000720621499 722419407 /nfs/dbraw/zinc/41/94/07/722419407.db2.gz FGXIRYNIVDDHEX-CSNJMZFVSA-N 2 0 351.535 3.096 20 0 FGADRP C[NH+]1CCC(C[NH2+]CC2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)CC1 ZINC000720625828 722419481 /nfs/dbraw/zinc/41/94/81/722419481.db2.gz YQDIFEKWZNKINQ-AYHJJNSGSA-N 2 0 351.535 3.096 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=S)NCC(C)(C)C[NH+](C)C)c1ccccc1 ZINC000727067105 722440733 /nfs/dbraw/zinc/44/07/33/722440733.db2.gz VCUOQRFZBNRHKZ-GOSISDBHSA-N 2 0 364.603 3.121 20 0 FGADRP O=C(CCCC[NH+]1CCCC1)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000729352125 722459106 /nfs/dbraw/zinc/45/91/06/722459106.db2.gz KKQYGDGTOPPFMX-GOSISDBHSA-N 2 0 363.571 3.342 20 0 FGADRP O[C@@H](CN1CCC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1)C[NH+]1CCCC1 ZINC000753388216 722896984 /nfs/dbraw/zinc/89/69/84/722896984.db2.gz JVSORFZZJPMJHT-GDBMZVCRSA-N 2 0 373.324 3.293 20 0 FGADRP C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)NCCCCCCC[NH+]1CCCC1 ZINC000754374692 722936313 /nfs/dbraw/zinc/93/63/13/722936313.db2.gz IDOSVVSTRHJPCL-RBUKOAKNSA-N 2 0 352.567 3.014 20 0 FGADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]C[C@@](C)(O)c1ccccc1Cl ZINC000764979801 723465665 /nfs/dbraw/zinc/46/56/65/723465665.db2.gz JBBYKKSFMAPKFQ-LJQANCHMSA-N 2 0 356.857 3.226 20 0 FGADRP CC[NH+]1CCC(C[NH2+][C@H](C)c2ccc(S(=O)(=O)C(F)F)cc2)CC1 ZINC000765767727 723539441 /nfs/dbraw/zinc/53/94/41/723539441.db2.gz HCUHBPFJVYZPAE-CYBMUJFWSA-N 2 0 360.470 3.065 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@](C)(O)c2cccc(Cl)c2)[C@@H](C)C1 ZINC000765817953 723542790 /nfs/dbraw/zinc/54/27/90/723542790.db2.gz PQLOFULBBCGVQP-VDGAXYAQSA-N 2 0 368.949 3.274 20 0 FGADRP C[N@@H+]1CC[C@H]([NH2+]C[C@H](O)c2ccc(OC(F)(F)F)cc2)[C@@H]2CCC[C@@H]21 ZINC000796736800 723652631 /nfs/dbraw/zinc/65/26/31/723652631.db2.gz HPMCCPJLPMLPMW-QAETUUGQSA-N 2 0 358.404 3.081 20 0 FGADRP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@H](NC(=O)OC(C)(C)C)C2)[C@@H]2CCC[C@@H]21 ZINC000796959040 723661199 /nfs/dbraw/zinc/66/11/99/723661199.db2.gz LKEHEEBRYNTNRD-FPSMNIFISA-N 2 0 351.535 3.285 20 0 FGADRP C[C@@H]1C[C@@H](C)C[NH+](CCCC[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000769386197 723683976 /nfs/dbraw/zinc/68/39/76/723683976.db2.gz YJYPYJWHOPDQKQ-KZNAEPCWSA-N 2 0 353.551 3.344 20 0 FGADRP CC[NH+](CC)Cc1cc([C@H](C)[NH2+]CC2([S@](C)=O)CCC2)ccc1OC ZINC000798004158 723897561 /nfs/dbraw/zinc/89/75/61/723897561.db2.gz KMTHVGWAPXJEHI-LMKMVOKYSA-N 2 0 366.571 3.489 20 0 FGADRP CC(C)(C)OC(=O)NC1CCC([NH2+]CC2CC[NH+](C3CC3)CC2)CC1 ZINC000774494910 723899910 /nfs/dbraw/zinc/89/99/10/723899910.db2.gz GWXXAVPVAJHIKL-UHFFFAOYSA-N 2 0 351.535 3.286 20 0 FGADRP COc1ccc([C@@H](C)[NH2+]C[C@@H](O)C(F)(F)F)cc1C[NH+]1CCCCC1 ZINC000775380083 723986788 /nfs/dbraw/zinc/98/67/88/723986788.db2.gz VGWBEQSPWQOPHV-CXAGYDPISA-N 2 0 360.420 3.255 20 0 FGADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]C[C@@H](O)c1cc(F)cc(Cl)c1 ZINC000785613278 724925464 /nfs/dbraw/zinc/92/54/64/724925464.db2.gz DPDRVUIBFPCFOT-GOSISDBHSA-N 2 0 360.820 3.191 20 0 FGADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]C[C@H](O)c1cc(F)cc(Cl)c1 ZINC000785613280 724925495 /nfs/dbraw/zinc/92/54/95/724925495.db2.gz DPDRVUIBFPCFOT-SFHVURJKSA-N 2 0 360.820 3.191 20 0 FGADRP CSC1(C[NH2+][C@@H](C)c2ccc(Br)nc2)CC[NH+](C)CC1 ZINC000810252212 725300050 /nfs/dbraw/zinc/30/00/50/725300050.db2.gz LSBCCBJFEVULSP-LBPRGKRZSA-N 2 0 358.349 3.322 20 0 FGADRP CSC1(C[NH2+][C@@H]2CCCN(C(=O)OC(C)(C)C)CC2)CC[NH+](C)CC1 ZINC000810252124 725300063 /nfs/dbraw/zinc/30/00/63/725300063.db2.gz IYXHUOMPNJVJNV-MRXNPFEDSA-N 2 0 371.591 3.193 20 0 FGADRP O[C@H]1CCC[NH+](CCCCCCCCC[N@H+]2CCC[C@H](O)CC2)CC1 ZINC000815301198 727062486 /nfs/dbraw/zinc/06/24/86/727062486.db2.gz TZJVXKUZXWBDSF-SFTDATJTSA-N 2 0 354.579 3.411 20 0 FGADRP CC(C)[NH+]1CCC([NH2+]C[C@](C)(O)c2ccc(Br)cc2F)CC1 ZINC000818940955 727328355 /nfs/dbraw/zinc/32/83/55/727328355.db2.gz LUABDZBCPXQZQJ-KRWDZBQOSA-N 2 0 373.310 3.258 20 0 FGADRP C[C@@H](C[NH2+]C[C@@H](O)c1ccc(OC(F)(F)F)cc1)C[NH+]1CCCCC1 ZINC000818968986 727332261 /nfs/dbraw/zinc/33/22/61/727332261.db2.gz IGPMLOYJXDQNEH-WMLDXEAASA-N 2 0 360.420 3.330 20 0 FGADRP C[C@@H]([NH2+]C[C@H](O)c1ccc(F)c(Br)c1)C(C)(C)C[NH+](C)C ZINC000819102081 727347522 /nfs/dbraw/zinc/34/75/22/727347522.db2.gz GWXSYULFNXQSPJ-ABAIWWIYSA-N 2 0 361.299 3.188 20 0 FGADRP CC(C)C[N@@H+]1CC[C@@H](C[NH2+]C[C@@H](O)c2ccc(OC(F)(F)F)cc2)C1 ZINC000819152227 727352864 /nfs/dbraw/zinc/35/28/64/727352864.db2.gz OQCLVJVHFCBVFW-WMLDXEAASA-N 2 0 360.420 3.186 20 0 FGADRP C[N@H+](CCCC[NH2+]C[C@H](O)c1ccc(F)c(Br)c1)C1CC1 ZINC000819361178 727371156 /nfs/dbraw/zinc/37/11/56/727371156.db2.gz HTDZHURZVJMQGU-INIZCTEOSA-N 2 0 359.283 3.086 20 0 FGADRP C[C@@H](C[NH2+][C@@H](Cc1ccccc1Cl)c1ccoc1)N1CC[NH+](C)CC1 ZINC000820810216 729033253 /nfs/dbraw/zinc/03/32/53/729033253.db2.gz RPIGIYUHNIRULG-JXFKEZNVSA-N 2 0 361.917 3.442 20 0 FGADRP C[C@@H]1CC[C@H]([NH2+]C2CC[NH+](CC3CC3)CC2)CN1C(=O)OC(C)(C)C ZINC000822451875 729176437 /nfs/dbraw/zinc/17/64/37/729176437.db2.gz RHZUYCRGODZUTL-QAPCUYQASA-N 2 0 351.535 3.238 20 0 FGADRP C[C@@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000823649876 729295859 /nfs/dbraw/zinc/29/58/59/729295859.db2.gz VKWQSULGWNEMGD-NUJGCVRESA-N 2 0 351.535 3.238 20 0 FGADRP C[N@@H+]1CC[C@H](CNC(=O)CCCCC[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000831481859 729645335 /nfs/dbraw/zinc/64/53/35/729645335.db2.gz WBMPCLJDMHPQCM-RDTXWAMCSA-N 2 0 355.885 3.107 20 0 FGADRP CC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000834895100 729844627 /nfs/dbraw/zinc/84/46/27/729844627.db2.gz YRKVBFWIFCJFOY-FVAVCCDCSA-N 2 0 351.535 3.379 20 0 FGADRP C[NH+]1CCC(N2CCC([NH2+][C@H]3C[C@H](OC(C)(C)C)C3(C)C)CC2)CC1 ZINC000840718857 730165678 /nfs/dbraw/zinc/16/56/78/730165678.db2.gz GMASYGMIADFQEO-OALUTQOASA-N 2 0 351.579 3.117 20 0 FGADRP C[C@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000840808729 730177347 /nfs/dbraw/zinc/17/73/47/730177347.db2.gz OPEDWRSWZMFJEZ-KBPBESRZSA-N 2 0 360.470 3.065 20 0 FGADRP Brc1ccc2nc(C[NH2+][C@@H]3CC34CC[NH2+]CC4)sc2c1 ZINC000841078720 730208255 /nfs/dbraw/zinc/20/82/55/730208255.db2.gz JCPSBUNNVLQWSG-CYBMUJFWSA-N 2 0 352.301 3.291 20 0 FGADRP Ic1ccccc1C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000843045076 730573338 /nfs/dbraw/zinc/57/33/38/730573338.db2.gz HNYLVZBLRTWOPJ-MRXNPFEDSA-N 2 0 370.278 3.255 20 0 FGADRP C[N@H+](Cc1cn(-c2ccc(Cl)cc2Cl)nn1)C1CCC([NH3+])CC1 ZINC000843055353 730574684 /nfs/dbraw/zinc/57/46/84/730574684.db2.gz ZYGIWXVWECSEBN-UHFFFAOYSA-N 2 0 354.285 3.276 20 0 FGADRP [NH3+]CCCCCC[NH2+]Cc1ncc(Br)cc1Br ZINC000843126244 730589068 /nfs/dbraw/zinc/58/90/68/730589068.db2.gz FLQWLGMFHUQPQA-UHFFFAOYSA-N 2 0 365.113 3.215 20 0 FGADRP [NH3+]CCCCCC[NH2+]Cc1nc(-c2cccc(Br)c2)c[nH]1 ZINC000843128562 730589270 /nfs/dbraw/zinc/58/92/70/730589270.db2.gz XCIVDTZODYPBKY-UHFFFAOYSA-N 2 0 351.292 3.448 20 0 FGADRP CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C[N@H+](C)C1CCC([NH3+])CC1 ZINC000843355084 730609877 /nfs/dbraw/zinc/60/98/77/730609877.db2.gz LQWLGXJAGZDRGS-UHFFFAOYSA-N 2 0 358.313 3.154 20 0 FGADRP C[N@H+](Cc1nc(-c2ccc(C(F)(F)F)cc2)no1)C1CCC([NH3+])CC1 ZINC000843355803 730609927 /nfs/dbraw/zinc/60/99/27/730609927.db2.gz XNVMHEMLYXEIGK-UHFFFAOYSA-N 2 0 354.376 3.457 20 0 FGADRP C[N@H+](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)C1CCC([NH3+])CC1 ZINC000843352957 730610117 /nfs/dbraw/zinc/61/01/17/730610117.db2.gz OQKFWLBSOHXJRV-UHFFFAOYSA-N 2 0 363.811 3.499 20 0 FGADRP Cc1ccc(NC(=O)N2CC[NH+](CCCCCC[NH3+])CC2)cc1Cl ZINC000846220756 730937367 /nfs/dbraw/zinc/93/73/67/730937367.db2.gz PMGPDIMOGATPEJ-UHFFFAOYSA-N 2 0 352.910 3.317 20 0 FGADRP CO[C@@H]1CC[C@H]([NH+]2CCC[C@@]3(CCC[N@@H+]([C@@H]4CC[C@H](OC)C4)C3)C2)C1 ZINC000852057323 731539400 /nfs/dbraw/zinc/53/94/00/731539400.db2.gz KZSGVPMTURJZGK-XDWAVFMPSA-N 2 0 350.547 3.299 20 0 FGADRP Cc1nc(-c2cccc(NC(=O)[C@]3(C(F)(F)F)CC[NH2+]C3)c2)[nH]c1C ZINC000852863159 731641253 /nfs/dbraw/zinc/64/12/53/731641253.db2.gz RMGMPXLMQXCLLH-INIZCTEOSA-N 2 0 352.360 3.174 20 0 FGADRP O[C@@H](C[NH2+]CC1CC[NH+](Cc2ccccc2Cl)CC1)c1ccccn1 ZINC000853097706 731665237 /nfs/dbraw/zinc/66/52/37/731665237.db2.gz BALBEMVPEKUHAF-FQEVSTJZSA-N 2 0 359.901 3.270 20 0 FGADRP CN(CCC[NH+](C)C)CCNC(=O)c1sccc1-c1ccc(F)cc1 ZINC000855416551 731926250 /nfs/dbraw/zinc/92/62/50/731926250.db2.gz OADJDTBSQGDNKK-UHFFFAOYSA-N 2 0 363.502 3.168 20 0 FGADRP Cc1cc(C[NH2+]CC(C)(C)N2CC[NH+](C)CC2)c(Br)cc1F ZINC000858094893 732180002 /nfs/dbraw/zinc/18/00/02/732180002.db2.gz QHPAKMQNQOVOHH-UHFFFAOYSA-N 2 0 372.326 3.012 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+]Cc2cn(C)nc2Br)C1 ZINC000858099442 732180516 /nfs/dbraw/zinc/18/05/16/732180516.db2.gz NGCAXBCVJVZFHG-OKILXGFUSA-N 2 0 357.340 3.030 20 0 FGADRP CCC[NH+]1CCC([NH2+][C@H]2CCN(C(=O)OC(C)(C)C)C23CCC3)CC1 ZINC000858475042 732218680 /nfs/dbraw/zinc/21/86/80/732218680.db2.gz GJMDHCDEKVDTBE-KRWDZBQOSA-N 2 0 351.535 3.383 20 0 FGADRP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)C23CCC3)[C@@H](C)C1 ZINC000858477034 732219057 /nfs/dbraw/zinc/21/90/57/732219057.db2.gz TULQIKXTZHQPEN-YESZJQIVSA-N 2 0 351.535 3.238 20 0 FGADRP CC(C)(C)OC(=O)N[C@H](C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)CC(F)(F)F ZINC000865416502 733195331 /nfs/dbraw/zinc/19/53/31/733195331.db2.gz AJKFDRVIWUGFKX-RDBSUJKOSA-N 2 0 365.440 3.049 20 0 FGADRP Cc1ccnc(C[NH2+]CC2CC[NH+](CC3CC3)CC2)c1Br ZINC000865636053 733242392 /nfs/dbraw/zinc/24/23/92/733242392.db2.gz SQFYQWBKRRMULS-UHFFFAOYSA-N 2 0 352.320 3.364 20 0 FGADRP C[NH+]1CCC(C[NH2+][C@H](c2cccc(Br)c2)[C@H]2CCOC2)CC1 ZINC000872034760 735579592 /nfs/dbraw/zinc/57/95/92/735579592.db2.gz RBPDWXXJHDHUIC-FUHWJXTLSA-N 2 0 367.331 3.458 20 0 FGADRP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2C[C@H]3C[C@@H](C2)N(C(=O)OC(C)(C)C)C3)[C@H](C)C1 ZINC000872129288 735593737 /nfs/dbraw/zinc/59/37/37/735593737.db2.gz XIFZJXQONKHGAL-WKULXVSPSA-N 2 0 351.535 3.094 20 0 FGADRP FC(F)(F)COc1ccc(C[NH2+]Cc2cc3c(s2)CC[NH2+]C3)cn1 ZINC000873212145 735738344 /nfs/dbraw/zinc/73/83/44/735738344.db2.gz IAGWFLMUKCRBGX-UHFFFAOYSA-N 2 0 357.401 3.020 20 0 FGADRP Cc1cc(Cl)cc(C)c1C[NH2+]Cc1cccc(-n2cc(C[NH3+])nn2)c1 ZINC000873218569 735739116 /nfs/dbraw/zinc/73/91/16/735739116.db2.gz KDUNAXMENVWZSB-UHFFFAOYSA-N 2 0 355.873 3.286 20 0 FGADRP C[C@H]([NH2+]Cc1cccc2c1CC[NH2+]C2)c1cc(Br)ncc1F ZINC000873236623 735742386 /nfs/dbraw/zinc/74/23/86/735742386.db2.gz YMTUVUUSBVSTII-NSHDSACASA-N 2 0 364.262 3.480 20 0 FGADRP [NH3+]Cc1cn(-c2cccc(C[NH2+][C@H]3CCc4c3cccc4Cl)c2)nn1 ZINC000873247407 735743479 /nfs/dbraw/zinc/74/34/79/735743479.db2.gz MIMRFIKWAANRSO-IBGZPJMESA-N 2 0 353.857 3.157 20 0 FGADRP C[C@@H]([NH2+][C@@H](C)c1ccc(S(=O)(=O)C2CCCC2)cc1)C1CC[NH2+]CC1 ZINC000873267480 735744386 /nfs/dbraw/zinc/74/43/86/735744386.db2.gz DOMTVEKVYLSDHZ-JKSUJKDBSA-N 2 0 364.555 3.442 20 0 FGADRP CCOC(=O)C1([C@H](C)[NH2+]Cc2ccc(C(F)(F)F)s2)CC[NH2+]CC1 ZINC000873280840 735745985 /nfs/dbraw/zinc/74/59/85/735745985.db2.gz CSGMCUXNAQPMCR-NSHDSACASA-N 2 0 364.433 3.178 20 0 FGADRP COc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CC3(CO1)CC[NH2+]CC3)CCCS2 ZINC000873290895 735747063 /nfs/dbraw/zinc/74/70/63/735747063.db2.gz BPABMXBDGNVPID-WMZOPIPTSA-N 2 0 362.539 3.371 20 0 FGADRP Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)/C=C/[C@@H]1CCC[NH2+]C1 ZINC000876743203 736139264 /nfs/dbraw/zinc/13/92/64/736139264.db2.gz CCQDPRMHOVBCFD-UABRLCRWSA-N 2 0 359.539 3.038 20 0 FGADRP C[NH+](C)C[C@@H]1CN(Cc2ccc(SC(F)F)cc2)C[C@H]1C[NH+](C)C ZINC000877669374 736701957 /nfs/dbraw/zinc/70/19/57/736701957.db2.gz GLKQQDUBHDENKI-HZPDHXFCSA-N 2 0 357.514 3.173 20 0 FGADRP C([C@H]1CC2(CO1)CCOCC2)[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000878048587 736763009 /nfs/dbraw/zinc/76/30/09/736763009.db2.gz COKASMNBERZUFO-VQTJNVASSA-N 2 0 350.547 3.160 20 0 FGADRP C[NH+]1CCC2(CC1)CC[NH+](CC[C@@H]1Sc3ccccc3NC1=O)CC2 ZINC000879251444 736972613 /nfs/dbraw/zinc/97/26/13/736972613.db2.gz WNJAIHDZFJDHKT-SFHVURJKSA-N 2 0 359.539 3.297 20 0 FGADRP C[N@@H+]1CC[C@H]2CN(CCC(=O)Nc3ccccc3C(F)(F)F)CC[C@H]21 ZINC000879576354 737009751 /nfs/dbraw/zinc/00/97/51/737009751.db2.gz BSPOAZGGLSWFLB-XJKSGUPXSA-N 2 0 355.404 3.060 20 0 FGADRP C(=C/C[N@@H+]1CC[C@@H](c2nccs2)C1)\C[NH+]1CC[C@H](c2nccs2)C1 ZINC000880319182 737154937 /nfs/dbraw/zinc/15/49/37/737154937.db2.gz CCPUHYXATKEPEP-YVFUIXNUSA-N 2 0 360.552 3.435 20 0 FGADRP C[N@@H+]1CCCN(CCC[NH2+]Cc2cc3nc(Cl)ccc3s2)CC1 ZINC000882985257 737508254 /nfs/dbraw/zinc/50/82/54/737508254.db2.gz OXVDLTBYMQGPHG-UHFFFAOYSA-N 2 0 352.935 3.067 20 0 FGADRP C[C@H](CSCCF)[NH2+]CCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000883344012 737555700 /nfs/dbraw/zinc/55/57/00/737555700.db2.gz ISIKVPFVUJEYRG-QGZVFWFLSA-N 2 0 354.535 3.084 20 0 FGADRP [NH3+][C@@H]1CCO[C@@H](C2CC[NH+](CCc3ccccc3Br)CC2)C1 ZINC000883433117 737565839 /nfs/dbraw/zinc/56/58/39/737565839.db2.gz IOVWKIUPOIVHPP-SJLPKXTDSA-N 2 0 367.331 3.210 20 0 FGADRP CC(C)[C@H]([NH3+])C(C)(C)C(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000884226546 737645146 /nfs/dbraw/zinc/64/51/46/737645146.db2.gz WGHBRFDJRBJJMI-OIISXLGYSA-N 2 0 351.560 3.257 20 0 FGADRP CCS(=O)(=O)c1ccc(C[NH2+]C2CCC(C)([NH+]3CCCC3)CC2)s1 ZINC000886603456 739273907 /nfs/dbraw/zinc/27/39/07/739273907.db2.gz OGRHPJNHHIJVER-UHFFFAOYSA-N 2 0 370.584 3.428 20 0 FGADRP CC1CC[NH+](C2CCC(NC(=O)N(C)CCCCCC[NH3+])CC2)CC1 ZINC000891707682 739929269 /nfs/dbraw/zinc/92/92/69/739929269.db2.gz WNAHXIYHLKXERP-UHFFFAOYSA-N 2 0 352.567 3.190 20 0 FGADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@H](C)C[NH+]2CCCC2)C[C@@H]1C(F)(F)F ZINC000892622444 740024554 /nfs/dbraw/zinc/02/45/54/740024554.db2.gz PZZRVGGRVDMLST-JONQDZQNSA-N 2 0 364.452 3.218 20 0 FGADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCC[N@H+](CC)C2)C[C@H]1C(F)(F)F ZINC000892741442 740039419 /nfs/dbraw/zinc/03/94/19/740039419.db2.gz AXWXQVHQRIKVED-CAOSSQGBSA-N 2 0 364.452 3.218 20 0 FGADRP CC(=O)Nc1cc(Br)ccc1C[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000893470444 742157306 /nfs/dbraw/zinc/15/73/06/742157306.db2.gz JHOIAZQTKRZVQH-UHFFFAOYSA-N 2 0 368.319 3.229 20 0 FGADRP C[NH+](C)CCC1CC[NH+](C[C@@H](CC(F)F)NC(=O)OC(C)(C)C)CC1 ZINC000893969030 742220423 /nfs/dbraw/zinc/22/04/23/742220423.db2.gz IDHBBJQBTSSEAT-OAHLLOKOSA-N 2 0 363.493 3.199 20 0 FGADRP C[NH+]1CCN(C(C)(C)C[NH2+]Cc2cc3ccnc(Cl)c3s2)CC1 ZINC000894168843 742247799 /nfs/dbraw/zinc/24/77/99/742247799.db2.gz UPYYQWYWHPXQLW-UHFFFAOYSA-N 2 0 352.935 3.065 20 0 FGADRP CN1CC[NH+](CCCC[NH2+]Cc2cc3ccnc(Cl)c3s2)CC1 ZINC000894174737 742248808 /nfs/dbraw/zinc/24/88/08/742248808.db2.gz XWTDIVMTIILDPA-UHFFFAOYSA-N 2 0 352.935 3.067 20 0 FGADRP CCN1CCC([N@@H+]2CCCN(Cc3cc(C)cnc3Cl)CC2)CC1 ZINC000894977396 742358564 /nfs/dbraw/zinc/35/85/64/742358564.db2.gz JRABPBHYCPEEKB-UHFFFAOYSA-N 2 0 350.938 3.035 20 0 FGADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@H]2CCCC[N@H+](C)C2)C[C@H]1C(F)(F)F ZINC000895587367 742430273 /nfs/dbraw/zinc/43/02/73/742430273.db2.gz QBJJSHZDJLZRPY-QKPAOTATSA-N 2 0 364.452 3.218 20 0 FGADRP CC(C)CC[NH+]1CCC([NH2+][C@@H]2CCc3ncc(Br)n3C2)CC1 ZINC000898718005 742824836 /nfs/dbraw/zinc/82/48/36/742824836.db2.gz ZHHUEWDAKXXMMV-OAHLLOKOSA-N 2 0 369.351 3.061 20 0 FGADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]CC3CCC(S(C)(=O)=O)CC3)CC2)C1 ZINC000903156631 743814177 /nfs/dbraw/zinc/81/41/77/743814177.db2.gz WIPQWNLIZNMUJE-PYXOFJJQSA-N 2 0 370.603 3.223 20 0 FGADRP Brc1ccc([C@@H]2CCC[N@@H+]2C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)s1 ZINC000903758771 743881084 /nfs/dbraw/zinc/88/10/84/743881084.db2.gz MHXGEYVGMWNPNC-XEZPLFJOSA-N 2 0 371.344 3.416 20 0 FGADRP COc1cc(C[NH2+]CC2C[C@H]3CC[C@@H](C2)[NH2+]3)ccc1OCC(F)(F)F ZINC000903923148 743897772 /nfs/dbraw/zinc/89/77/72/743897772.db2.gz MSFOZAZMCYAHHE-GOOCMWNKSA-N 2 0 358.404 3.257 20 0 FGADRP Cc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@H]2C[NH2+]CCC2(F)F)c(Cl)c1 ZINC000903955710 743904807 /nfs/dbraw/zinc/90/48/07/743904807.db2.gz AMZRRGUTLLWIOY-QWHCGFSZSA-N 2 0 359.848 3.200 20 0 FGADRP C[C@@H](Cc1ccc(Br)c(F)c1)[NH2+]C[C@@H]1C[NH2+]CCC1(F)F ZINC000903956952 743905334 /nfs/dbraw/zinc/90/53/34/743905334.db2.gz NYFAJTNCAADUCO-JQWIXIFHSA-N 2 0 365.237 3.354 20 0 FGADRP [NH3+]Cc1ccccc1NC(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000904659957 743966809 /nfs/dbraw/zinc/96/68/09/743966809.db2.gz QWAXOKFQTGGOBC-HNNXBMFYSA-N 2 0 358.511 3.241 20 0 FGADRP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CCC[NH+](Cc3ccsc3)CC2)CC[N@@H+]1C ZINC000948388817 762328905 /nfs/dbraw/zinc/32/89/05/762328905.db2.gz KJOVCENNXUHQLB-GBESFXJTSA-N 2 0 363.571 3.291 20 0 FGADRP CC(C)[C@@H](CNC(=O)NC[C@@H](C)[NH+]1CCCCC1)[NH+]1CCCCCC1 ZINC000918119729 758305055 /nfs/dbraw/zinc/30/50/55/758305055.db2.gz AQEHPDDLNUTPAH-RTBURBONSA-N 2 0 352.567 3.061 20 0 FGADRP C[NH+](C)CC1CCC([NH2+][C@H]2CC[C@H](CNC(=O)OC(C)(C)C)C2)CC1 ZINC000921920034 758819747 /nfs/dbraw/zinc/81/97/47/758819747.db2.gz DMTOEJINNZRXQY-IKJBURDNSA-N 2 0 353.551 3.390 20 0 FGADRP Cn1ccc(-c2nc(C[NH2+]C3CCC(C)([NH+]4CCCC4)CC3)cs2)n1 ZINC000922502541 758939215 /nfs/dbraw/zinc/93/92/15/758939215.db2.gz DNJIFZIRSWLHEJ-UHFFFAOYSA-N 2 0 359.543 3.430 20 0 FGADRP CC1([NH+]2CCCC2)CCC([NH2+]Cc2ncc(C3OCCO3)s2)CC1 ZINC000922506407 758939851 /nfs/dbraw/zinc/93/98/51/758939851.db2.gz ZHEDLXOKINJOKK-UHFFFAOYSA-N 2 0 351.516 3.075 20 0 FGADRP Clc1ccc2oc(C3CC[NH+](C[C@H]4CC5(C[NH2+]C5)CO4)CC3)nc2c1 ZINC000923323253 759100780 /nfs/dbraw/zinc/10/07/80/759100780.db2.gz VZYOJLOHLVQQOJ-OAHLLOKOSA-N 2 0 361.873 3.039 20 0 FGADRP C[C@H](c1cccc(Br)c1)[NH+]1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923452388 759120559 /nfs/dbraw/zinc/12/05/59/759120559.db2.gz QLGXTXYTFMDBRL-CJNGLKHVSA-N 2 0 353.304 3.340 20 0 FGADRP [NH3+]C[C@@H]1CC2(CO1)CC[NH+](Cc1ncc(-c3ccc(Cl)cc3)o1)CC2 ZINC000923458006 759121599 /nfs/dbraw/zinc/12/15/99/759121599.db2.gz ZPVZCYKNXKGUFK-INIZCTEOSA-N 2 0 361.873 3.325 20 0 FGADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]C1CCN(c2nc3ccccc3s2)CC1 ZINC000925583832 759509150 /nfs/dbraw/zinc/50/91/50/759509150.db2.gz HEESAFAUHYJMJY-WWMCIYDGSA-N 2 0 356.539 3.371 20 0 FGADRP C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1[NH2+][C@@H]1CCN(c3cccc(Br)c3)C1)[NH2+]2 ZINC000925657370 759519501 /nfs/dbraw/zinc/51/95/01/759519501.db2.gz OBTKWTHJEVJQMM-KGKJWKRHSA-N 2 0 364.331 3.146 20 0 FGADRP [NH3+]CCC[C@H]([NH2+]CCCn1cc(Br)cn1)c1ccccc1 ZINC000925674640 759522332 /nfs/dbraw/zinc/52/23/32/759522332.db2.gz SYKILTWYUREKHX-INIZCTEOSA-N 2 0 351.292 3.106 20 0 FGADRP [NH3+]CCC[C@@H]([NH2+]Cc1ccnc(N2CCSCC2)c1)c1ccccc1 ZINC000925722908 759525917 /nfs/dbraw/zinc/52/59/17/759525917.db2.gz PIPUWIFWVZVGOG-LJQANCHMSA-N 2 0 356.539 3.205 20 0 FGADRP [NH3+]C1CCN(CC[NH2+][C@@H]2CCC[C@H]2c2ccc(C(F)(F)F)cc2)CC1 ZINC000925815956 759549524 /nfs/dbraw/zinc/54/95/24/759549524.db2.gz UZBDZZXJFKBFSW-ZWKOTPCHSA-N 2 0 355.448 3.354 20 0 FGADRP C[C@H]([NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ccc(SC(F)F)cc1 ZINC000925850605 759558201 /nfs/dbraw/zinc/55/82/01/759558201.db2.gz KHVHNNHHHZLSDE-JSGCOSHPSA-N 2 0 370.465 3.337 20 0 FGADRP CCOc1ccc(Cl)cc1[C@@H](C)[NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925857325 759561792 /nfs/dbraw/zinc/56/17/92/759561792.db2.gz ZKZDHLPNXGRTHR-UKRRQHHQSA-N 2 0 366.889 3.075 20 0 FGADRP C[C@@H]([NH2+]CCc1cnc2c(Cl)cnn2c1)c1cccc(C[NH+](C)C)c1 ZINC000926494826 759760520 /nfs/dbraw/zinc/76/05/20/759760520.db2.gz KLRWELWGTBASIT-CQSZACIVSA-N 2 0 357.889 3.338 20 0 FGADRP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)C2)[C@@H]2CCC[C@H]21 ZINC000927124891 759899420 /nfs/dbraw/zinc/89/94/20/759899420.db2.gz RFGYISHGIVZNQC-RSJGLCBASA-N 2 0 351.535 3.142 20 0 FGADRP CC(F)(F)CCC[NH+]1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000930073233 760522770 /nfs/dbraw/zinc/52/27/70/760522770.db2.gz XPJAXTCONILEHH-UHFFFAOYSA-N 2 0 359.505 3.126 20 0 FGADRP C[C@H](CNC(=O)C[NH2+][C@H](C)c1ccsc1)[NH2+][C@@H](C)c1ccsc1 ZINC000930344946 760584579 /nfs/dbraw/zinc/58/45/79/760584579.db2.gz FYJXNWFOMPZYRI-MCIONIFRSA-N 2 0 351.541 3.316 20 0 FGADRP Cc1cc(C[NH+](C)C[C@H]2CCCN2C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c(C)s1 ZINC000960640517 762736763 /nfs/dbraw/zinc/73/67/63/762736763.db2.gz HQMAHTSOUOLMRV-ATZDWAIDSA-N 2 0 363.571 3.128 20 0 FGADRP C[C@@H]1[C@H](C(=O)N2C[C@H]([NH2+]Cc3cccc(Cl)c3)C(C)(C)C2)CC[N@@H+]1C ZINC000995825018 764970661 /nfs/dbraw/zinc/97/06/61/764970661.db2.gz MKJMDXTWRCNQBD-OLMNPRSZSA-N 2 0 363.933 3.007 20 0 FGADRP Cc1cc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2(C)C)c(C)s1 ZINC000995835378 764971310 /nfs/dbraw/zinc/97/13/10/764971310.db2.gz WTUNRUJUBWBZLF-ZTFGCOKTSA-N 2 0 363.571 3.032 20 0 FGADRP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H](C[NH+](C)Cc3ccsc3)C2)CC[N@@H+]1C ZINC001017132002 765831284 /nfs/dbraw/zinc/83/12/84/765831284.db2.gz HVBFYTIUOZAUSU-YTQUADARSA-N 2 0 363.571 3.149 20 0 FGADRP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]([NH+](C)Cc3csc(C)c3)C2)CC[N@@H+]1C ZINC001027418670 766092645 /nfs/dbraw/zinc/09/26/45/766092645.db2.gz GVICIMWCJCEWFQ-CEXWTWQISA-N 2 0 363.571 3.210 20 0 FGADRP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]([NH+](C)Cc3ccc(Cl)cc3)C2)CC[N@@H+]1C ZINC001027416324 766093183 /nfs/dbraw/zinc/09/31/83/766093183.db2.gz FBXOMMZRWLUTEG-ATZDWAIDSA-N 2 0 363.933 3.103 20 0 FGADRP CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@H]1CC[N@H+](Cc2cc(C)sc2C)C1 ZINC001033836836 766223500 /nfs/dbraw/zinc/22/35/00/766223500.db2.gz FFCOIUXMRPJGST-AYOQOUSVSA-N 2 0 363.571 3.128 20 0 FGADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCCC[NH+](Cc3csc(C)c3)C2)CC[N@@H+]1C ZINC001034216689 766232699 /nfs/dbraw/zinc/23/26/99/766232699.db2.gz JJOCSNLYBGNLCX-GBESFXJTSA-N 2 0 363.571 3.258 20 0 FGADRP C[C@@H]1[C@H](C(=O)N[C@H]2CCCC[NH+](Cc3ccccc3Cl)C2)CC[N@@H+]1C ZINC001034215212 766232724 /nfs/dbraw/zinc/23/27/24/766232724.db2.gz XIFLDHQHNKTGOD-BPQIPLTHSA-N 2 0 363.933 3.151 20 0 FGADRP CCCC[N@H+](C)CC1CC[NH+](CCC(=O)N2CCc3ccccc32)CC1 ZINC000052209976 205185035 /nfs/dbraw/zinc/18/50/35/205185035.db2.gz GNXQKRDYILXFGX-UHFFFAOYSA-N 2 0 357.542 3.410 20 0 FGADRP C[NH+](C)Cc1cccc(NC(=O)N2CCC[N@H+](Cc3ccccc3)CC2)c1 ZINC000044277299 257340512 /nfs/dbraw/zinc/34/05/12/257340512.db2.gz BWNSJYOWEPVPCP-UHFFFAOYSA-N 2 0 366.509 3.488 20 0 FGADRP COc1ccc2c(c1)C[C@@H]([NH2+]C1CCN([C@H](C)c3ccncc3)CC1)CO2 ZINC000297144807 257382957 /nfs/dbraw/zinc/38/29/57/257382957.db2.gz ZQSZDECXWVNLPE-OXQOHEQNSA-N 2 0 367.493 3.209 20 0 FGADRP C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNc3cc[nH+]cc3C(N)=O)cc2)C1 ZINC000302129150 257384773 /nfs/dbraw/zinc/38/47/73/257384773.db2.gz BNSZAKZGSHNDHU-HOTGVXAUSA-N 2 0 352.482 3.271 20 0 FGADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@H](CO)Cc1ccccc1C(F)(F)F ZINC000536848630 503740008 /nfs/dbraw/zinc/74/00/08/503740008.db2.gz ZEEPHVXBNWQLDN-ADAWSYLGSA-N 2 0 358.448 3.175 20 0 FGADRP Cc1cc(CN(Cc2ccccc2)[C@@H]2CCC[NH2+]C2)ccc1-n1cncn1 ZINC000570801312 505583988 /nfs/dbraw/zinc/58/39/88/505583988.db2.gz KKZYBBDGKSSGLE-OAQYLSRUSA-N 2 0 361.493 3.330 20 0 FGADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)c2ccccc2CC2CC[NH2+]CC2)C1 ZINC000567966476 505584481 /nfs/dbraw/zinc/58/44/81/505584481.db2.gz KOZNQDMFECELFH-LJQANCHMSA-N 2 0 357.542 3.079 20 0 FGADRP Cc1ccc([C@H]([NH3+])C(=O)N2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)cc1 ZINC000567980512 505589179 /nfs/dbraw/zinc/58/91/79/505589179.db2.gz CKUVCUHCFHQCCN-NQIIRXRSSA-N 2 0 357.542 3.498 20 0 FGADRP C[C@H](CC[NH2+][C@@H]1CCCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)[S@](C)=O ZINC000568076887 505610362 /nfs/dbraw/zinc/61/03/62/505610362.db2.gz DGXGQLRDOBUUNE-VGKUOYCKSA-N 2 0 362.583 3.424 20 0 FGADRP CCCn1c2ccccc2nc1CN(CC[NH+](C)C)C[C@@H]1CCC[N@@H+]1CC ZINC000576865147 505612672 /nfs/dbraw/zinc/61/26/72/505612672.db2.gz YXKYXGBOCKDWDM-IBGZPJMESA-N 2 0 371.573 3.294 20 0 FGADRP Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)[C@H]1[NH2+]CCCC1(C)C ZINC000573805859 505625542 /nfs/dbraw/zinc/62/55/42/505625542.db2.gz SKTMVJCWIIVNAX-GOSISDBHSA-N 2 0 361.555 3.261 20 0 FGADRP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+][C@@H]1CCN(Cc2ccccc2)C2(CC2)C1 ZINC000579836226 505629657 /nfs/dbraw/zinc/62/96/57/505629657.db2.gz FUGLWPBKPYPYCM-YADHBBJMSA-N 3 0 371.569 3.010 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(C)c(C(C)=O)c1 ZINC000571057524 505643641 /nfs/dbraw/zinc/64/36/41/505643641.db2.gz WSFIMMHIEUKWNJ-IBGZPJMESA-N 2 0 374.529 3.077 20 0 FGADRP CSc1ccc([C@H](CNC(=O)Nc2ccc3c(c2)C[NH2+]C3)[NH+](C)C)cc1 ZINC000579930012 505648672 /nfs/dbraw/zinc/64/86/72/505648672.db2.gz LATKOSOYUXIKES-IBGZPJMESA-N 2 0 370.522 3.436 20 0 FGADRP CC(=O)c1ccccc1NC(=O)CCC[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000571101865 505654112 /nfs/dbraw/zinc/65/41/12/505654112.db2.gz OSPPOOLRUIZIAK-XLIONFOSSA-N 2 0 357.498 3.024 20 0 FGADRP [NH3+][C@@H](CCC(=O)N1CC[NH2+]C[C@H]1c1cccc(Cl)c1)c1ccccc1 ZINC000573942170 505657374 /nfs/dbraw/zinc/65/73/74/505657374.db2.gz JFNSXISPGLYRGH-OALUTQOASA-N 2 0 357.885 3.293 20 0 FGADRP C[C@H]([NH2+]Cc1ccncc1OCC[NH+](C)C)c1ccc(-n2cccn2)cc1 ZINC000573955839 505659806 /nfs/dbraw/zinc/65/98/06/505659806.db2.gz LZZFTJYIDZJXTM-KRWDZBQOSA-N 2 0 365.481 3.059 20 0 FGADRP C[C@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2)[C@H]1CCCOC1 ZINC000568302479 505661932 /nfs/dbraw/zinc/66/19/32/505661932.db2.gz CGMOETLUKVLWEA-ILWGZMRPSA-N 2 0 372.553 3.320 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1cc(Cl)ccc1F ZINC000076332344 493867693 /nfs/dbraw/zinc/86/76/93/493867693.db2.gz JRJZXLMJZSEFDG-OAHLLOKOSA-N 2 0 370.900 3.359 20 0 FGADRP CCC[NH+]1CCC(N(C)C(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000058827074 493888031 /nfs/dbraw/zinc/88/80/31/493888031.db2.gz AASXRRAPTKHHCX-HXUWFJFHSA-N 2 0 357.542 3.231 20 0 FGADRP CCC[N@H+](C)C[C@H]1CC[NH+](CCC(=O)N[C@@H]2CCCc3ccccc32)C1 ZINC000081572895 493920857 /nfs/dbraw/zinc/92/08/57/493920857.db2.gz ABZAXLHVKBCWEN-WIYYLYMNSA-N 2 0 357.542 3.234 20 0 FGADRP CC[N@H+](C)Cc1cccc(CNC(=O)NCC(C)(C)[NH+]2CCCCC2)c1 ZINC000061795461 493995146 /nfs/dbraw/zinc/99/51/46/493995146.db2.gz GJWKTQUFBXETOU-UHFFFAOYSA-N 2 0 360.546 3.202 20 0 FGADRP COc1cc(C[NH2+]C[C@@H]2CC[N@@H+](C(C)C)C2)ccc1OCc1ccncc1 ZINC000062426951 494011775 /nfs/dbraw/zinc/01/17/75/494011775.db2.gz UYVBLISOEBCENA-FQEVSTJZSA-N 2 0 369.509 3.489 20 0 FGADRP C[C@@H]1C[N@@H+](CCCC[NH2+]Cc2cnc(-c3ccccn3)s2)C[C@H](C)O1 ZINC000084656584 494090999 /nfs/dbraw/zinc/09/09/99/494090999.db2.gz FHMQUKZAUCFKCY-IYBDPMFKSA-N 2 0 360.527 3.184 20 0 FGADRP C[C@H](CNC(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1)[NH+]1CCC(C)CC1 ZINC000072044378 494120210 /nfs/dbraw/zinc/12/02/10/494120210.db2.gz YXGXLTCGEJTIIL-CTNGQTDRSA-N 2 0 372.557 3.243 20 0 FGADRP C[C@H](C(=O)N[C@@H](C)c1cc2ccccc2o1)[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000568492426 505708730 /nfs/dbraw/zinc/70/87/30/505708730.db2.gz NSALTDROLSSFHB-FCEWJHQRSA-N 2 0 369.509 3.463 20 0 FGADRP CC[N@H+](C)Cc1cccc(CNC(=O)c2ccccc2OCC[NH+](C)C)c1 ZINC000065881145 494251679 /nfs/dbraw/zinc/25/16/79/494251679.db2.gz ARNIXEFYPLJHJK-UHFFFAOYSA-N 2 0 369.509 3.009 20 0 FGADRP C[NH+](C)[C@@H](CNC(=O)NCCC[NH2+]C1CCCCC1)c1cccc(F)c1 ZINC000043037991 494259359 /nfs/dbraw/zinc/25/93/59/494259359.db2.gz WSJLJJLVDYHSNU-IBGZPJMESA-N 2 0 364.509 3.040 20 0 FGADRP Cc1c[nH+]ccc1N1CCC(C(=O)N2CCC(C[N@@H+](C)C(C)C)CC2)CC1 ZINC000073079562 494319067 /nfs/dbraw/zinc/31/90/67/494319067.db2.gz JEODWYGZXSOBEB-UHFFFAOYSA-N 2 0 372.557 3.185 20 0 FGADRP CC(=O)Nc1cccc(OCC[NH2+]C2CC[NH+](C3CCCCC3)CC2)c1 ZINC000089516045 494319778 /nfs/dbraw/zinc/31/97/78/494319778.db2.gz NTFJVDNFBYSNCV-UHFFFAOYSA-N 2 0 359.514 3.411 20 0 FGADRP O=C(CCC[NH2+]C1CC[NH+](C2CCCC2)CC1)N1CCc2ccccc21 ZINC000089597680 494328650 /nfs/dbraw/zinc/32/86/50/494328650.db2.gz YLOMEIKXIPDQKN-UHFFFAOYSA-N 2 0 355.526 3.353 20 0 FGADRP CC[NH+]1CCC(CCNC(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)CC1 ZINC000073415402 494368804 /nfs/dbraw/zinc/36/88/04/494368804.db2.gz QGJSVACOTOXXOY-OAQYLSRUSA-N 2 0 372.557 3.245 20 0 FGADRP CCC[NH+]1CCC(NC(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)CC1 ZINC000073494884 494379471 /nfs/dbraw/zinc/37/94/71/494379471.db2.gz LHURKLYFXPQWJD-KRWDZBQOSA-N 2 0 364.559 3.059 20 0 FGADRP O=C(NCc1ccccc1C[NH+]1CCCC1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000078986275 494388559 /nfs/dbraw/zinc/38/85/59/494388559.db2.gz UZKPAUHZCITVSE-NRFANRHFSA-N 2 0 370.541 3.052 20 0 FGADRP CCC(CC)[C@@H](CNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)[NH+]1CCCC1 ZINC000073594695 494396258 /nfs/dbraw/zinc/39/62/58/494396258.db2.gz JASZDDXIUKDNRP-RAFMOHDBSA-N 2 0 364.578 3.202 20 0 FGADRP O=C(NCc1ccccc1C[NH+]1CCCCC1)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000045192667 494405188 /nfs/dbraw/zinc/40/51/88/494405188.db2.gz OTVJTWCQOHJKGN-LEWJYISDSA-N 2 0 370.541 3.099 20 0 FGADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)NCCCC[NH+]2CCCC[C@@H]2C)C1 ZINC000073676890 494411576 /nfs/dbraw/zinc/41/15/76/494411576.db2.gz ZHLNWZSVOMCGPL-OALUTQOASA-N 2 0 352.567 3.014 20 0 FGADRP CC[N@H+](Cc1cnc2nc(C)cc(C)n12)Cc1ccc(C[NH+](C)C)cc1 ZINC000568564518 505722939 /nfs/dbraw/zinc/72/29/39/505722939.db2.gz AFAYEZRUNPNKCH-UHFFFAOYSA-N 2 0 351.498 3.430 20 0 FGADRP C[C@@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)c1ccc2c(c1)CCC2 ZINC000090038598 494431031 /nfs/dbraw/zinc/43/10/31/494431031.db2.gz ZUJAVMWRIIQMFY-QGZVFWFLSA-N 2 0 365.521 3.318 20 0 FGADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)NCc2cccc(C[NH+](C)CC)c2)C1 ZINC000073917966 494448457 /nfs/dbraw/zinc/44/84/57/494448457.db2.gz REOFJWCWFBHJPQ-HXUWFJFHSA-N 2 0 360.546 3.012 20 0 FGADRP COc1cccc(C[C@@H]([NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)C2CC2)c1 ZINC000090523817 494478453 /nfs/dbraw/zinc/47/84/53/494478453.db2.gz WSOPXFOSSFBTDV-ZLNRFVROSA-N 2 0 372.553 3.374 20 0 FGADRP CCc1nn(C)c(CC)c1C[NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000090846182 494499916 /nfs/dbraw/zinc/49/99/16/494499916.db2.gz NLOYZQUMFWQITI-INIZCTEOSA-N 2 0 358.530 3.336 20 0 FGADRP CCc1nc2c(s1)[C@@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)CCC2 ZINC000090937485 494504932 /nfs/dbraw/zinc/50/49/32/494504932.db2.gz WQWWUEBNWIGYMQ-HNNXBMFYSA-N 2 0 360.527 3.208 20 0 FGADRP COc1ccc([C@H](CNC(=O)C[N@@H+]2C[C@H](C)C[C@H]2C)[NH+]2CCCCC2)cc1 ZINC000568570688 505724821 /nfs/dbraw/zinc/72/48/21/505724821.db2.gz GIMLMSWSMBEQLD-OPYAIIAOSA-N 2 0 373.541 3.069 20 0 FGADRP COc1ccc2c(c1)OC[C@@H]([NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1)C2 ZINC000090964762 494506412 /nfs/dbraw/zinc/50/64/12/494506412.db2.gz QFMJLBHWWYMHDY-LPHOPBHVSA-N 2 0 370.493 3.290 20 0 FGADRP C[C@@H](OC[C@H](O)C[NH+]1CCC(CC[NH+](C)C)CC1)c1ccc(Cl)cc1 ZINC000056523002 494519818 /nfs/dbraw/zinc/51/98/18/494519818.db2.gz OELMLTHMZBZHEX-OXQOHEQNSA-N 2 0 368.949 3.442 20 0 FGADRP C[NH+](C)CCC1CC[NH+](Cc2cccc(C(=O)N3CCCCC3)c2)CC1 ZINC000056521761 494520104 /nfs/dbraw/zinc/52/01/04/494520104.db2.gz GWKNWWZRIDBARP-UHFFFAOYSA-N 2 0 357.542 3.476 20 0 FGADRP C[C@@H](CNC(=O)N1CCC[N@H+](Cc2ccccc2)CC1)[NH+]1CCC[C@H](C)C1 ZINC000046368013 494521905 /nfs/dbraw/zinc/52/19/05/494521905.db2.gz OTTAHUWOYGKWJP-PMACEKPBSA-N 2 0 372.557 3.024 20 0 FGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000580303472 505728064 /nfs/dbraw/zinc/72/80/64/505728064.db2.gz BFNJKAOVUVCYDE-OAQYLSRUSA-N 2 0 369.553 3.376 20 0 FGADRP COc1ccc([C@@H]([NH2+]Cc2ccc(N3CC[NH+](C)CC3)nc2)C(C)C)cc1 ZINC000091282908 494576879 /nfs/dbraw/zinc/57/68/79/494576879.db2.gz UBEFOGYVPMKKTR-QFIPXVFZSA-N 2 0 368.525 3.329 20 0 FGADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H]2CCc3c2cccc3Br)CC1 ZINC000091285571 494578128 /nfs/dbraw/zinc/57/81/28/494578128.db2.gz JNOLYIUAVYWTMO-KBXCAEBGSA-N 2 0 366.347 3.052 20 0 FGADRP C[C@@H](NC(=O)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1)C(C)(C)C[NH+](C)C ZINC000121070580 494580288 /nfs/dbraw/zinc/58/02/88/494580288.db2.gz YUUTYWKNBKHLOM-RTBURBONSA-N 2 0 366.594 3.116 20 0 FGADRP C[C@@H]([NH2+]C[C@H](C)CN1CC[NH+](C)CC1)c1cccc(-c2ccncc2)c1 ZINC000121091295 494592112 /nfs/dbraw/zinc/59/21/12/494592112.db2.gz HJDXINPWXAOTSR-RBUKOAKNSA-N 2 0 352.526 3.283 20 0 FGADRP CC(C)c1ccc(C2(O)CCC([NH2+]C[C@@H](C)N3CC[NH+](C)CC3)CC2)cc1 ZINC000131397430 494606082 /nfs/dbraw/zinc/60/60/82/494606082.db2.gz WEQSAZWZLPFDOD-YUVSOPLDSA-N 2 0 373.585 3.166 20 0 FGADRP C[C@@H]([NH2+]C1CCN(Cc2ccc(Cl)cc2)CC1)C(=O)NC(C)(C)C ZINC000121128499 494608487 /nfs/dbraw/zinc/60/84/87/494608487.db2.gz XYMKHTMFLNHTFK-CQSZACIVSA-N 2 0 351.922 3.197 20 0 FGADRP C[NH+]1CCC(Nc2ccccc2NC(=O)[C@H]2C[NH2+]Cc3ccccc32)CC1 ZINC000580315350 505730957 /nfs/dbraw/zinc/73/09/57/505730957.db2.gz DPMIAHRIOUSJSV-IBGZPJMESA-N 2 0 364.493 3.018 20 0 FGADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)NC[C@@H]1CC[NH+](C(C)C)C1 ZINC000067684953 494610484 /nfs/dbraw/zinc/61/04/84/494610484.db2.gz GBHHPLHXKGTZHN-SFHVURJKSA-N 2 0 360.546 3.056 20 0 FGADRP COC(=O)COc1c(C)cc(C[NH+]2CCC(CC[NH+](C)C)CC2)cc1C ZINC000092381376 494611001 /nfs/dbraw/zinc/61/10/01/494611001.db2.gz PJYNLMARQSJCHM-UHFFFAOYSA-N 2 0 362.514 3.019 20 0 FGADRP C[NH+](C)[C@H]1CCC[C@H](NCc2c(Cl)cccc2N2CC[NH+](C)CC2)C1 ZINC000092410582 494617665 /nfs/dbraw/zinc/61/76/65/494617665.db2.gz RWFWFQOUROXWCE-IRXDYDNUSA-N 2 0 364.965 3.054 20 0 FGADRP C[NH+](C)[C@@H]1CCC[C@H](NCc2c(Cl)cccc2N2CC[NH+](C)CC2)C1 ZINC000092410584 494619106 /nfs/dbraw/zinc/61/91/06/494619106.db2.gz RWFWFQOUROXWCE-DLBZAZTESA-N 2 0 364.965 3.054 20 0 FGADRP CC(C)[NH2+]C1CCN(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000080166881 494622619 /nfs/dbraw/zinc/62/26/19/494622619.db2.gz HNGNQYSISDRFTB-NQIIRXRSSA-N 2 0 372.557 3.212 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000074852318 494623713 /nfs/dbraw/zinc/62/37/13/494623713.db2.gz OXMLRBHRQNJZOQ-UYAOXDASSA-N 2 0 364.578 3.014 20 0 FGADRP C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]CC1CC[NH+](C)CC1 ZINC000126220791 494676369 /nfs/dbraw/zinc/67/63/69/494676369.db2.gz UZOAHHVWYQLFSD-CYBMUJFWSA-N 2 0 357.420 3.354 20 0 FGADRP C[C@H]1C[NH+](CC2CC[NH+](Cc3cccc(-n4cccn4)c3)CC2)C[C@H](C)O1 ZINC000092587031 494676825 /nfs/dbraw/zinc/67/68/25/494676825.db2.gz SENHHSOEVHIBDA-OALUTQOASA-N 2 0 368.525 3.194 20 0 FGADRP C[N@@H+]1CC[C@H]([NH2+]CCc2nc(-c3ccc(Cl)cc3)no2)[C@H]2CCC[C@H]21 ZINC000580340627 505736779 /nfs/dbraw/zinc/73/67/79/505736779.db2.gz VLJPTCBURZVZDZ-IXDOHACOSA-N 2 0 360.889 3.395 20 0 FGADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2oc3ccccc3c2C[NH+](C)C)C1 ZINC000075329087 494732244 /nfs/dbraw/zinc/73/22/44/494732244.db2.gz CYGPJOUVRYKYMB-INIZCTEOSA-N 2 0 357.498 3.298 20 0 FGADRP C[C@H]([NH2+]CCCN1CC[NH+](Cc2ccccc2)CC1)c1ccc(F)cn1 ZINC000092738677 494734071 /nfs/dbraw/zinc/73/40/71/494734071.db2.gz NGZVZAXJGQNQNN-SFHVURJKSA-N 2 0 356.489 3.079 20 0 FGADRP CCC[NH+]1CCC(CNC(=O)NC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000131830773 494747600 /nfs/dbraw/zinc/74/76/00/494747600.db2.gz POFITHANPKJOHG-UHFFFAOYSA-N 2 0 372.557 3.072 20 0 FGADRP CN(C)C(=O)c1ccc(C[NH+]2CCC(C[N@H+](C)Cc3ccccc3)CC2)[nH]1 ZINC000093006770 494806235 /nfs/dbraw/zinc/80/62/35/494806235.db2.gz OUGGSUOHYOSSMO-UHFFFAOYSA-N 2 0 368.525 3.061 20 0 FGADRP CC(C)c1ccc2c(c1)[C@H]([NH2+]C[C@H](C)CN1CC[NH+](C)CC1)CCCO2 ZINC000126647934 494810811 /nfs/dbraw/zinc/81/08/11/494810811.db2.gz FQCSAGJBQZDBBL-GHTZIAJQSA-N 2 0 359.558 3.497 20 0 FGADRP CSc1ccc(OCC[NH+]2CCC(CC[NH+]3CCOCC3)CC2)cc1 ZINC000075675883 494812500 /nfs/dbraw/zinc/81/25/00/494812500.db2.gz JKAHOONRNCYPHL-UHFFFAOYSA-N 2 0 364.555 3.222 20 0 FGADRP C[C@@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]CC(C)(C)C[NH+](C)C ZINC000132100512 494819784 /nfs/dbraw/zinc/81/97/84/494819784.db2.gz KPSRFPDQYDTQTE-HNNXBMFYSA-N 2 0 353.938 3.254 20 0 FGADRP C[C@H]([NH2+]CCCN1CCC[N@H+](C)CC1)c1ccc(Br)cc1F ZINC000126730644 494827871 /nfs/dbraw/zinc/82/78/71/494827871.db2.gz JOZDFVSLIFGVDZ-AWEZNQCLSA-N 2 0 372.326 3.266 20 0 FGADRP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3c(OC)ccc4ccccc43)C2)CC1 ZINC000093132726 494830489 /nfs/dbraw/zinc/83/04/89/494830489.db2.gz XKLLWFCMXHFPPM-LJQANCHMSA-N 2 0 353.510 3.060 20 0 FGADRP CC(C)[C@H](C[NH2+][C@@H](C)c1cccc(OC(F)F)c1)N1CC[NH+](C)CC1 ZINC000132361316 494862554 /nfs/dbraw/zinc/86/25/54/494862554.db2.gz URNPBCXOBXCUEW-YJBOKZPZSA-N 2 0 355.473 3.211 20 0 FGADRP c1c(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)[nH]nc1-c1ccccc1 ZINC000093735218 494914924 /nfs/dbraw/zinc/91/49/24/494914924.db2.gz YDISXRDRPCCSBI-UHFFFAOYSA-N 2 0 354.498 3.154 20 0 FGADRP C[C@@H]1C[NH+](CCC2CC[NH+](Cc3cccc4c[nH]nc43)CC2)C[C@@H](C)O1 ZINC000093844288 494927082 /nfs/dbraw/zinc/92/70/82/494927082.db2.gz YYHDVHVXVGHFOZ-IAGOWNOFSA-N 2 0 356.514 3.274 20 0 FGADRP C[C@@H](CS(=O)(=O)c1ccccc1)[NH2+]CCCC[N@@H+]1CCCC[C@H]1C ZINC000122131668 494929350 /nfs/dbraw/zinc/92/93/50/494929350.db2.gz QUESMYGXIZZPRE-ZWKOTPCHSA-N 2 0 352.544 3.093 20 0 FGADRP C[C@@H](C[NH2+][C@H]1CCCc2nc(-c3ccccc3)sc21)N1CC[NH+](C)CC1 ZINC000127388339 494937707 /nfs/dbraw/zinc/93/77/07/494937707.db2.gz IPHGBKRDABCPLE-WMZOPIPTSA-N 2 0 370.566 3.413 20 0 FGADRP CCCC[C@@H](CC)CNC(=O)NC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000127474060 494950134 /nfs/dbraw/zinc/95/01/34/494950134.db2.gz ZNXOFDFLNGIAEV-QGZVFWFLSA-N 2 0 352.567 3.061 20 0 FGADRP C[N@@H+]1CCCN(CCC[NH2+][C@@H]2CCCOc3cc4c(cc32)CCC4)CC1 ZINC000122278667 494950639 /nfs/dbraw/zinc/95/06/39/494950639.db2.gz BSFWCJYVBUQLGW-OAQYLSRUSA-N 2 0 357.542 3.006 20 0 FGADRP C[C@H](C[NH2+][C@H]1CCCc2ncc(C(F)(F)F)cc21)CN1CCOCC1 ZINC000133024137 494957618 /nfs/dbraw/zinc/95/76/18/494957618.db2.gz QVYKIQIPZANGCX-CJNGLKHVSA-N 2 0 357.420 3.036 20 0 FGADRP CC[C@H]([NH2+]C[C@@H](C)N1CC[NH+](C)CC1)c1cccc(Br)c1 ZINC000127734252 494988697 /nfs/dbraw/zinc/98/86/97/494988697.db2.gz MDGBMGGFTPZIQK-PBHICJAKSA-N 2 0 354.336 3.126 20 0 FGADRP CN(c1ccccc1C[NH2+]C[C@@H](O)c1ccccc1F)C1CC[NH+](C)CC1 ZINC000133281204 494994577 /nfs/dbraw/zinc/99/45/77/494994577.db2.gz WKTCQLUYPKSAPR-JOCHJYFZSA-N 2 0 371.500 3.179 20 0 FGADRP CN(c1ccccc1C[NH2+]C[C@H](O)c1ccccc1F)C1CC[NH+](C)CC1 ZINC000133281013 494994587 /nfs/dbraw/zinc/99/45/87/494994587.db2.gz WKTCQLUYPKSAPR-QFIPXVFZSA-N 2 0 371.500 3.179 20 0 FGADRP CC(C)O[C@H](C[N@@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1)c1ccccc1 ZINC000568707189 505757126 /nfs/dbraw/zinc/75/71/26/505757126.db2.gz NHMSSXCBQCBBLM-FGZHOGPDSA-N 2 0 359.558 3.253 20 0 FGADRP C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2cn(Cc3ccccc3)nc2-c2cccnc2)C1 ZINC000097102805 495023186 /nfs/dbraw/zinc/02/31/86/495023186.db2.gz BXELFMDGJJUYMT-PXNSSMCTSA-N 2 0 361.493 3.163 20 0 FGADRP CC[NH+](CC)[C@H](C(=O)NCC[N@H+](C)Cc1ccccc1)c1ccccc1 ZINC000111043038 495033055 /nfs/dbraw/zinc/03/30/55/495033055.db2.gz TVZMKQZAKJONFC-NRFANRHFSA-N 2 0 353.510 3.318 20 0 FGADRP CC(C)c1ccccc1NC(=O)C[C@@H](C)[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000128298787 495075349 /nfs/dbraw/zinc/07/53/49/495075349.db2.gz FQCXCFZMHUEZTM-LJQANCHMSA-N 2 0 374.573 3.144 20 0 FGADRP C[NH+](C)[C@H](CNC(=O)NCCCCC[NH+]1CCCCC1)c1ccccc1 ZINC000111518853 495084731 /nfs/dbraw/zinc/08/47/31/495084731.db2.gz XQOQRPITRNXSAZ-HXUWFJFHSA-N 2 0 360.546 3.245 20 0 FGADRP C[C@@H](C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000101647927 495088482 /nfs/dbraw/zinc/08/84/82/495088482.db2.gz WEKIVBSDYSCBAC-BBWFWOEESA-N 2 0 361.505 3.168 20 0 FGADRP C[C@@H]([NH3+])c1ccc(CNC(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)cc1 ZINC000577605840 505763093 /nfs/dbraw/zinc/76/30/93/505763093.db2.gz XEPJFWLRGRINST-UZLBHIALSA-N 2 0 358.530 3.303 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)N1CCC(CC[NH+](C)C)CC1)c1ccco1 ZINC000129069553 495191469 /nfs/dbraw/zinc/19/14/69/495191469.db2.gz KSJLXFJKDUIAMG-SFHVURJKSA-N 2 0 364.534 3.036 20 0 FGADRP C[C@H](NC(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(C)(C)C[NH+](C)C ZINC000119570402 495193409 /nfs/dbraw/zinc/19/34/09/495193409.db2.gz QOMPEDAKZGBBMK-AZUAARDMSA-N 2 0 374.573 3.126 20 0 FGADRP C[C@@H]([NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1)c1ccc(Cl)cc1 ZINC000112542256 495202699 /nfs/dbraw/zinc/20/26/99/495202699.db2.gz FNWAQKCNDLFBBE-OAHLLOKOSA-N 2 0 359.901 3.482 20 0 FGADRP CC[NH+](CC)Cc1cccc(CNC(=O)NCCC2CC[NH+](C)CC2)c1 ZINC000103304112 495216110 /nfs/dbraw/zinc/21/61/10/495216110.db2.gz AUDBEOTVSKWYDG-UHFFFAOYSA-N 2 0 360.546 3.060 20 0 FGADRP C[C@@H](CNC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1)C[NH+]1CCCC1 ZINC000103308134 495217631 /nfs/dbraw/zinc/21/76/31/495217631.db2.gz JRXJFOAMSDLTLJ-VQTJNVASSA-N 2 0 364.578 3.016 20 0 FGADRP CC[NH+]1CCN(c2ccc(C[NH2+][C@H]3CCC[C@H](C(F)(F)F)C3)cn2)CC1 ZINC000129314320 495227669 /nfs/dbraw/zinc/22/76/69/495227669.db2.gz QTOXHXLAPRQRRY-IRXDYDNUSA-N 2 0 370.463 3.434 20 0 FGADRP CC1CC[NH+](Cc2ccc(CNC(=O)N(C)CC[NH+]3CCCC3)cc2)CC1 ZINC000112742428 495234144 /nfs/dbraw/zinc/23/41/44/495234144.db2.gz HOSTUMCGSYOPBB-UHFFFAOYSA-N 2 0 372.557 3.156 20 0 FGADRP C[N@@H+]1CCC[C@@H](CNC(=O)NCc2ccccc2C[NH+]2CCCCCC2)C1 ZINC000112749882 495236485 /nfs/dbraw/zinc/23/64/85/495236485.db2.gz NZTPKQUPUMEMMB-IBGZPJMESA-N 2 0 372.557 3.204 20 0 FGADRP CCC[NH+]1CCC([NH2+]C[C@H](c2ccc(Cl)cc2)N2CCOCC2)CC1 ZINC000119780122 495239776 /nfs/dbraw/zinc/23/97/76/495239776.db2.gz SUMSRHGFAUPVIX-HXUWFJFHSA-N 2 0 365.949 3.177 20 0 FGADRP C[C@@H](CS(=O)(=O)c1ccccc1)[NH2+]Cc1cccc(C[NH+]2CCCC2)c1 ZINC000119919319 495269705 /nfs/dbraw/zinc/26/97/05/495269705.db2.gz SKQDXJDAMVSLOH-SFHVURJKSA-N 2 0 372.534 3.234 20 0 FGADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)N1CCC[C@@H]([NH+]2CCCC2)C1)c1ccccc1 ZINC000113624967 495322134 /nfs/dbraw/zinc/32/21/34/495322134.db2.gz DNJGDMIXAMPDRO-UYAOXDASSA-N 2 0 372.557 3.386 20 0 FGADRP C[C@@H]1C[N@@H+](Cc2ccc(C[NH2+][C@@H]3CCCc4c3cnn4C)cc2)C[C@H](C)O1 ZINC000124651113 495322625 /nfs/dbraw/zinc/32/26/25/495322625.db2.gz DSKQDIPEWVHARV-LLGFUMIMSA-N 2 0 368.525 3.197 20 0 FGADRP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000113901155 495334480 /nfs/dbraw/zinc/33/44/80/495334480.db2.gz CDCAJZCPKRASND-ICSRJNTNSA-N 2 0 357.542 3.475 20 0 FGADRP COc1cc([C@H](C)[NH2+][C@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)ccn1 ZINC000568778397 505775421 /nfs/dbraw/zinc/77/54/21/505775421.db2.gz DQRRXHAPFIGTEW-JKSUJKDBSA-N 2 0 372.488 3.393 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000105113069 495337695 /nfs/dbraw/zinc/33/76/95/495337695.db2.gz HPDCILBTUXGVRD-NQIIRXRSSA-N 2 0 372.557 3.297 20 0 FGADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)NCC2CC[NH+](C)CC2)cc1 ZINC000105112994 495338048 /nfs/dbraw/zinc/33/80/48/495338048.db2.gz GGBCIHWWDWRIFK-SFHVURJKSA-N 2 0 372.557 3.202 20 0 FGADRP C[NH+](C)[C@@H]1CCCN(C(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)C1 ZINC000105204391 495345495 /nfs/dbraw/zinc/34/54/95/495345495.db2.gz SNOPJGISTCPCGL-OAQYLSRUSA-N 2 0 372.557 3.298 20 0 FGADRP COc1cccc([C@H](CNC(=O)Nc2ccncc2C)[NH+]2CCCC2)c1 ZINC000120309139 495348691 /nfs/dbraw/zinc/34/86/91/495348691.db2.gz YMFKKBCLEPQLEN-IBGZPJMESA-N 2 0 354.454 3.357 20 0 FGADRP Cc1nccn1C[C@@H](C)C[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000105442988 495364916 /nfs/dbraw/zinc/36/49/16/495364916.db2.gz SMPULLDYSGDLIJ-SFHVURJKSA-N 2 0 356.514 3.092 20 0 FGADRP CCc1ccc([C@H](C)NC(=O)[C@@H](C)[N@H+](C)CCCn2ccnc2C)cc1 ZINC000130364114 495380780 /nfs/dbraw/zinc/38/07/80/495380780.db2.gz RFGCSPFCUUCGMI-DLBZAZTESA-N 2 0 356.514 3.342 20 0 FGADRP C[NH+](C)CC1CCC([NH2+]C[C@@H](O)CO[C@@H]2CCCc3ccccc32)CC1 ZINC000571633943 505778964 /nfs/dbraw/zinc/77/89/64/505778964.db2.gz GEADUHQIYVVQAI-BJYLEDMPSA-N 2 0 360.542 3.152 20 0 FGADRP C[NH+](C)CC1CCC([NH2+]C[C@@H](O)CO[C@H]2CCCc3ccccc32)CC1 ZINC000571633945 505779071 /nfs/dbraw/zinc/77/90/71/505779071.db2.gz GEADUHQIYVVQAI-RURQWIPHSA-N 2 0 360.542 3.152 20 0 FGADRP C[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)c1ccc(Cl)s1 ZINC000130463987 495395701 /nfs/dbraw/zinc/39/57/01/495395701.db2.gz OLQMJDMGKFMYFL-CYBMUJFWSA-N 2 0 350.919 3.399 20 0 FGADRP C[C@H](C[C@H](O)c1ccco1)[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000130465652 495395718 /nfs/dbraw/zinc/39/57/18/495395718.db2.gz BEJZOMXUDMTHDY-UTKZUKDTSA-N 2 0 371.525 3.412 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000136860279 495406141 /nfs/dbraw/zinc/40/61/41/495406141.db2.gz KDNIHESSEFAQLM-LJQANCHMSA-N 2 0 364.578 3.301 20 0 FGADRP C[C@H]1C[C@@H]([NH2+]Cc2cn(Cc3ccccc3)nc2-c2cccnc2)CC[NH2+]1 ZINC000571651429 505783080 /nfs/dbraw/zinc/78/30/80/505783080.db2.gz SZFBNRLRCPZJDN-UWJYYQICSA-N 2 0 361.493 3.224 20 0 FGADRP CCN(CC)C(=O)C[C@@H](C)[NH2+]CC1CC[NH+](Cc2cccs2)CC1 ZINC000125513753 495457239 /nfs/dbraw/zinc/45/72/39/495457239.db2.gz GMEYGSADYQGXPH-MRXNPFEDSA-N 2 0 351.560 3.197 20 0 FGADRP C[C@H](C[NH2+][C@H](Cc1ccccc1)c1ccccc1)CN1CC[NH+](C)CC1 ZINC000120846890 495470392 /nfs/dbraw/zinc/47/03/92/495470392.db2.gz WQGQKIHOOACWKO-NFBKMPQASA-N 2 0 351.538 3.444 20 0 FGADRP COc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]C[C@H](C)C[NH+]1CCCC1 ZINC000120939551 495489022 /nfs/dbraw/zinc/48/90/22/495489022.db2.gz AYFXQTPFDNXAIW-LSDHHAIUSA-N 2 0 367.921 3.387 20 0 FGADRP C[C@@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1ccc(Br)c(F)c1 ZINC000131096895 495491210 /nfs/dbraw/zinc/49/12/10/495491210.db2.gz PENFBUXTLICMJI-CYBMUJFWSA-N 2 0 372.326 3.265 20 0 FGADRP CC[N@H+](C)Cc1cccc(CNC(=O)NC[C@H](C)[NH+]2CCCC[C@@H]2C)c1 ZINC000140557582 495497711 /nfs/dbraw/zinc/49/77/11/495497711.db2.gz XKLSQLMGVYXMBO-ROUUACIJSA-N 2 0 360.546 3.200 20 0 FGADRP CC(C)C[NH+]1CCC([NH2+][C@H](C)CC(=O)Nc2cccnc2Cl)CC1 ZINC000131154682 495499866 /nfs/dbraw/zinc/49/98/66/495499866.db2.gz CNEFMPISFXQECS-CQSZACIVSA-N 2 0 352.910 3.162 20 0 FGADRP CC[NH+]1CCN(CCC[NH2+][C@@H](C)c2ccc(Br)cc2F)CC1 ZINC000125873098 495511665 /nfs/dbraw/zinc/51/16/65/495511665.db2.gz MBLDADWULYNRTO-AWEZNQCLSA-N 2 0 372.326 3.266 20 0 FGADRP CC[NH+]1CCN([C@H]2CC[N@@H+]([C@@H](C)c3ccc(OC(F)(F)F)cc3)C2)CC1 ZINC000107371930 495526369 /nfs/dbraw/zinc/52/63/69/495526369.db2.gz XKBQGJPDURLDCA-RDJZCZTQSA-N 2 0 371.447 3.358 20 0 FGADRP c1ccc(CN2CCO[C@@H](C[NH2+]C3CC[NH+](C4CCCCC4)CC3)C2)cc1 ZINC000158669909 495563520 /nfs/dbraw/zinc/56/35/20/495563520.db2.gz RLESBUXCNGTRNS-QHCPKHFHSA-N 2 0 371.569 3.274 20 0 FGADRP C[C@H](CCNC(=O)c1ccc(C[NH+](C)C)cc1)[N@H+](C)Cc1ccccc1 ZINC000173593217 495603343 /nfs/dbraw/zinc/60/33/43/495603343.db2.gz TVFYFRUVGXZFES-GOSISDBHSA-N 2 0 353.510 3.389 20 0 FGADRP CCC[NH+](CCC)CCCNC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000158870858 495605706 /nfs/dbraw/zinc/60/57/06/495605706.db2.gz BDQYDJRZTXZWTM-LJQANCHMSA-N 2 0 352.567 3.158 20 0 FGADRP C[C@H](NC(=O)NC1CC[NH+](C(C)(C)C)CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182547230 495608267 /nfs/dbraw/zinc/60/82/67/495608267.db2.gz ZGTKOUDRMYGSKJ-DLBZAZTESA-N 2 0 364.578 3.202 20 0 FGADRP CCN1CC[NH+](CCCC[NH2+][C@@H](C)c2ccc(OC(F)F)cc2)CC1 ZINC000154529654 495644493 /nfs/dbraw/zinc/64/44/93/495644493.db2.gz YKPLULZTLMYZDE-INIZCTEOSA-N 2 0 355.473 3.356 20 0 FGADRP COCCC[NH+]1CCC([NH2+][C@@H](C)c2ccc(NC(=O)NC3CC3)cc2)CC1 ZINC000159068413 495649111 /nfs/dbraw/zinc/64/91/11/495649111.db2.gz HSAFDIUKBPKCJA-INIZCTEOSA-N 2 0 374.529 3.122 20 0 FGADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)NC2CC[NH+](C3CCCCC3)CC2)C1 ZINC000176495434 495672631 /nfs/dbraw/zinc/67/26/31/495672631.db2.gz PLKFNYZPNXOUDB-GOSISDBHSA-N 2 0 364.578 3.157 20 0 FGADRP C[C@H]1C[C@@H](NC(=O)NCc2ccccc2C[NH+]2CCCCC2)C[N@@H+]1C1CC1 ZINC000154629467 495676860 /nfs/dbraw/zinc/67/68/60/495676860.db2.gz MPAHTIYHRDNKKW-FXAWDEMLSA-N 2 0 370.541 3.097 20 0 FGADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000176516228 495679328 /nfs/dbraw/zinc/67/93/28/495679328.db2.gz XMSUVANVZSMETP-SXLOBPIMSA-N 2 0 372.557 3.384 20 0 FGADRP CC[NH+](CC)Cc1cccc(CNC(=O)NCCC2CC[NH+](CC)CC2)c1 ZINC000173782153 495690765 /nfs/dbraw/zinc/69/07/65/495690765.db2.gz CKUQWIUXHXWPAQ-UHFFFAOYSA-N 2 0 374.573 3.450 20 0 FGADRP C[NH+](C)CCN1CCC([NH2+][C@H]2CCc3cc(Br)ccc32)CC1 ZINC000150952772 495692352 /nfs/dbraw/zinc/69/23/52/495692352.db2.gz LJQZDIWVTUXKCK-SFHVURJKSA-N 2 0 366.347 3.052 20 0 FGADRP CCC[NH+]1CCC(N(C)C(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)CC1 ZINC000171039150 495699038 /nfs/dbraw/zinc/69/90/38/495699038.db2.gz LSFKVMSZZHQXON-OAQYLSRUSA-N 2 0 372.557 3.339 20 0 FGADRP C[C@H]([NH2+]C[C@@H]1CN(c2ccccc2)C(=O)O1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185763092 495716691 /nfs/dbraw/zinc/71/66/91/495716691.db2.gz VUNNOWNNYDJCKI-SQGPQFPESA-N 2 0 357.498 3.254 20 0 FGADRP Cc1cc([C@H](C)[NH2+]CCCC[NH+]2CCN(C)CC2)sc1Br ZINC000577834795 505800674 /nfs/dbraw/zinc/80/06/74/505800674.db2.gz YRGYBUYCODRHAU-AWEZNQCLSA-N 2 0 374.392 3.497 20 0 FGADRP Cc1ccc(-c2nc(C[NH2+][C@@H](C)CCN3CC[NH+](C)CC3)cs2)cc1 ZINC000185865709 495755493 /nfs/dbraw/zinc/75/54/93/495755493.db2.gz LENIKDQGBWOWMM-KRWDZBQOSA-N 2 0 358.555 3.234 20 0 FGADRP COc1cc(Cl)c(C[NH2+][C@H](C)CCN2CC[NH+](C)CC2)cc1Cl ZINC000185879051 495762359 /nfs/dbraw/zinc/76/23/59/495762359.db2.gz DGEQTWQCIJXATE-CYBMUJFWSA-N 2 0 360.329 3.118 20 0 FGADRP CC[C@@H](C)c1ccccc1NC(=O)[C@@H](C)[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000182962189 495775909 /nfs/dbraw/zinc/77/59/09/495775909.db2.gz VBBPVPWFSVSGAE-RTBURBONSA-N 2 0 374.573 3.096 20 0 FGADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000171305374 495813157 /nfs/dbraw/zinc/81/31/57/495813157.db2.gz SKCFUZNFKIEYSS-SFHVURJKSA-N 2 0 360.546 3.154 20 0 FGADRP COc1cc(-c2ccccc2)ccc1C[NH2+][C@H](C)CN1CC[NH+](C)CC1 ZINC000183059641 495818423 /nfs/dbraw/zinc/81/84/23/495818423.db2.gz YQALDFPZDVLIDL-GOSISDBHSA-N 2 0 353.510 3.088 20 0 FGADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@H]1CCCOc2c(Cl)c(Cl)ccc21 ZINC000155082220 495828512 /nfs/dbraw/zinc/82/85/12/495828512.db2.gz YBVIFVPDOPWSTR-BBRMVZONSA-N 2 0 372.340 3.433 20 0 FGADRP CCCCOc1ccc([C@H](C)[NH2+][C@@H](C)CN2CC[NH+](C)CC2)cc1OC ZINC000155100607 495835889 /nfs/dbraw/zinc/83/58/89/495835889.db2.gz SXLUFEAAGWKIQW-ROUUACIJSA-N 2 0 363.546 3.161 20 0 FGADRP CC[NH+](CC)Cc1cccc(C[NH2+]CCS(=O)(=O)c2ccccc2)c1 ZINC000571754140 505807237 /nfs/dbraw/zinc/80/72/37/505807237.db2.gz JGCYCPSNPOMMGX-UHFFFAOYSA-N 2 0 360.523 3.092 20 0 FGADRP Cc1nn(C)c(C)c1C[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000183134574 495849703 /nfs/dbraw/zinc/84/97/03/495849703.db2.gz QXGPTDTUSTVUDG-ILWGZMRPSA-N 2 0 352.526 3.427 20 0 FGADRP c1ccc(-c2noc(CCC[NH+]3CCC(C[NH+]4CCCC4)CC3)n2)cc1 ZINC000171388371 495851876 /nfs/dbraw/zinc/85/18/76/495851876.db2.gz DMJUZJZIBPTUOK-UHFFFAOYSA-N 2 0 354.498 3.477 20 0 FGADRP CC[NH+]1CCN([C@@H]2CC[N@H+](CCSc3ccc(Cl)cc3)C2)CC1 ZINC000171529856 495915888 /nfs/dbraw/zinc/91/58/88/495915888.db2.gz LUIJQBUJQINCNB-QGZVFWFLSA-N 2 0 353.963 3.144 20 0 FGADRP COC(=O)COc1ccccc1[C@@H](C)[NH2+]Cc1cccc(C[NH+](C)C)c1 ZINC000183326865 495932582 /nfs/dbraw/zinc/93/25/82/495932582.db2.gz IUBCJZWAFRFRKR-MRXNPFEDSA-N 2 0 356.466 3.151 20 0 FGADRP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)NCc2ccccc2C[NH+]2CCCC2)C1 ZINC000171598389 495943257 /nfs/dbraw/zinc/94/32/57/495943257.db2.gz YIDMRTXHPDSMJR-IBGZPJMESA-N 2 0 372.557 3.202 20 0 FGADRP Cc1ccc(NC(=O)CN2CCC(Oc3ccncc3C)CC2)cc1C ZINC000574609171 505813190 /nfs/dbraw/zinc/81/31/90/505813190.db2.gz UDMIRZHDZUPVKI-UHFFFAOYSA-N 2 0 353.466 3.489 20 0 FGADRP c1csc(C[NH+]2CCC(C[NH2+]C3CCC4(CC3)OCCO4)CC2)c1 ZINC000155494321 495972192 /nfs/dbraw/zinc/97/21/92/495972192.db2.gz IHGDDWDVIVKXOM-UHFFFAOYSA-N 2 0 350.528 3.235 20 0 FGADRP CCCC[NH+]1CCC([NH2+]C[C@H](O)COc2cccc3ccccc32)CC1 ZINC000571790637 505815898 /nfs/dbraw/zinc/81/58/98/505815898.db2.gz XBUWSMKXBTZKNR-FQEVSTJZSA-N 2 0 356.510 3.434 20 0 FGADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H](C)c2ccc(Br)cc2)CC1 ZINC000177216637 495982425 /nfs/dbraw/zinc/98/24/25/495982425.db2.gz ILNGEUAZYLDKBX-GJZGRUSLSA-N 2 0 354.336 3.126 20 0 FGADRP CC[C@H](C)[N@H+](C)CCNC(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000155571074 495998191 /nfs/dbraw/zinc/99/81/91/495998191.db2.gz GNWHUYIWPOZMJY-SFHVURJKSA-N 2 0 352.567 3.014 20 0 FGADRP C[C@@H](C[NH2+]C(c1ccc(F)cc1)c1ccc(F)cc1)N1CC[NH+](C)CC1 ZINC000180464055 496006020 /nfs/dbraw/zinc/00/60/20/496006020.db2.gz WVWAWJCHQAAQRJ-INIZCTEOSA-N 2 0 359.464 3.280 20 0 FGADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H]2CCCOc3c(Cl)cccc32)CC1 ZINC000155600566 496008602 /nfs/dbraw/zinc/00/86/02/496008602.db2.gz DCFJHTIRBJIYOA-MAUKXSAKSA-N 2 0 351.922 3.169 20 0 FGADRP Cn1ncc2c1CCC[C@H]2[NH2+]CCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000183497752 496009658 /nfs/dbraw/zinc/00/96/58/496009658.db2.gz RTTMCGUIAUTVTQ-OAQYLSRUSA-N 2 0 368.525 3.104 20 0 FGADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H](C)c2sc(C(C)(C)C)nc2C)CC1 ZINC000155696048 496038060 /nfs/dbraw/zinc/03/80/60/496038060.db2.gz QYVMZLFVNRAQBV-CABCVRRESA-N 2 0 352.592 3.426 20 0 FGADRP CC(C)c1ccc([C@H]([NH3+])CNC(=O)N2CCC[N@@H+](C3CCCC3)CC2)cc1 ZINC000568966420 505820294 /nfs/dbraw/zinc/82/02/94/505820294.db2.gz MMSCJSBLNAOZAW-OAQYLSRUSA-N 2 0 372.557 3.470 20 0 FGADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H](C)c2cccc(-c3ccncc3)c2)CC1 ZINC000155757656 496058485 /nfs/dbraw/zinc/05/84/85/496058485.db2.gz BIHKGNCYWICSBN-OALUTQOASA-N 2 0 352.526 3.425 20 0 FGADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H](C)c2cccc(-c3ccncc3)c2)CC1 ZINC000155758000 496058687 /nfs/dbraw/zinc/05/86/87/496058687.db2.gz BIHKGNCYWICSBN-RTBURBONSA-N 2 0 352.526 3.425 20 0 FGADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]C[C@@H](C)c1cccc(Br)c1 ZINC000186596162 496064488 /nfs/dbraw/zinc/06/44/88/496064488.db2.gz MHCUXEKEMOULRX-HZPDHXFCSA-N 2 0 368.363 3.168 20 0 FGADRP C[N@H+](CCCSc1ccccc1Cl)CCCN1CC[NH+](C)CC1 ZINC000174722569 496076728 /nfs/dbraw/zinc/07/67/28/496076728.db2.gz UKEVFCLQJDZUBB-UHFFFAOYSA-N 2 0 355.979 3.392 20 0 FGADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]C3CCN(c4ncccn4)CC3)CC2)C1 ZINC000155902467 496102172 /nfs/dbraw/zinc/10/21/72/496102172.db2.gz QYMJRZRDNQFZDR-XLIONFOSSA-N 2 0 357.546 3.078 20 0 FGADRP CC[NH+](CC)Cc1ccccc1CNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000174785887 496106364 /nfs/dbraw/zinc/10/63/64/496106364.db2.gz DGGYSLLEFGHFNX-SEJPIABJSA-N 2 0 372.557 3.343 20 0 FGADRP C[NH+](C)[C@@H](CNC(=O)Nc1ccc2c(c1F)CC[NH2+]C2)c1ccc(F)cc1 ZINC000577941275 505823973 /nfs/dbraw/zinc/82/39/73/505823973.db2.gz SOXOASJQRRIUBL-SFHVURJKSA-N 2 0 374.435 3.035 20 0 FGADRP C[NH+](C)Cc1ccc(-c2ccccc2C[NH2+]C[C@@H](O)C(F)(F)F)cc1 ZINC000568991600 505826058 /nfs/dbraw/zinc/82/60/58/505826058.db2.gz TWMKRJLFEQHSTR-GOSISDBHSA-N 2 0 352.400 3.428 20 0 FGADRP CCCn1nc(C)c(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)c1C ZINC000180798301 496151341 /nfs/dbraw/zinc/15/13/41/496151341.db2.gz LNXDSTNYGJJSRO-UHFFFAOYSA-N 2 0 362.562 3.234 20 0 FGADRP COc1ccc(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)cc1OC ZINC000180798227 496151794 /nfs/dbraw/zinc/15/17/94/496151794.db2.gz UNLXWEWHDVVYPC-UHFFFAOYSA-N 2 0 362.514 3.028 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCCn2cnc3ccccc32)[C@H](C)C1 ZINC000161548506 496195748 /nfs/dbraw/zinc/19/57/48/496195748.db2.gz QUXULYHOIYCHOG-MOPGFXCFSA-N 2 0 358.530 3.153 20 0 FGADRP COc1ccc(C)cc1[C@@H](C)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000177826655 496212666 /nfs/dbraw/zinc/21/26/66/496212666.db2.gz UGNSFTPKFGNDMY-QGZVFWFLSA-N 2 0 354.498 3.001 20 0 FGADRP C[C@@H](CC(=O)Nc1cccnc1Cl)[NH2+]CCC[NH+]1CCC(C)CC1 ZINC000161753493 496231983 /nfs/dbraw/zinc/23/19/83/496231983.db2.gz IOUZXHMRETYFPX-HNNXBMFYSA-N 2 0 352.910 3.164 20 0 FGADRP C[C@@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1cc(Br)ccc1F ZINC000177883307 496237479 /nfs/dbraw/zinc/23/74/79/496237479.db2.gz XZZMTOJUDGLTPI-CYBMUJFWSA-N 2 0 372.326 3.265 20 0 FGADRP CC1(C)CN(CCC[NH+]2CCCCC2)CCN1CCC[NH+]1CCCCC1 ZINC000161878792 496254367 /nfs/dbraw/zinc/25/43/67/496254367.db2.gz BWDMHUWIXAMSKV-UHFFFAOYSA-N 2 0 364.622 3.135 20 0 FGADRP COc1cc(N[C@@H]2CCCN(CCC[NH+]3CCCCC3)C2)cc(OC)c1 ZINC000161938460 496266836 /nfs/dbraw/zinc/26/68/36/496266836.db2.gz VTCIBNKVXGWOPI-GOSISDBHSA-N 2 0 361.530 3.456 20 0 FGADRP C[NH+](C)Cc1cccc(C(=O)NC2CC[NH+](Cc3ccsc3)CC2)c1 ZINC000156538635 496272574 /nfs/dbraw/zinc/27/25/74/496272574.db2.gz SRCDZDLLHCWBNB-UHFFFAOYSA-N 2 0 357.523 3.204 20 0 FGADRP CC1CC[NH+](C2CCC([NH2+]C[C@H](O)COc3ccc(F)cc3)CC2)CC1 ZINC000571875073 505835262 /nfs/dbraw/zinc/83/52/62/505835262.db2.gz IMXUJXQXJWKTCL-MHJFOBGBSA-N 2 0 364.505 3.198 20 0 FGADRP C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)[C@@](C)([NH3+])c2ccccc2)CC1 ZINC000580776102 505836028 /nfs/dbraw/zinc/83/60/28/505836028.db2.gz MKWVOTCOIFPWKY-AVRDEDQJSA-N 2 0 357.542 3.364 20 0 FGADRP CCC[N@@H+]1CC[C@H](CNC(=O)NC2CCC([NH+]3CCC(C)CC3)CC2)C1 ZINC000162354708 496342372 /nfs/dbraw/zinc/34/23/72/496342372.db2.gz XHMAFXNMZATALJ-XEVCZEQESA-N 2 0 364.578 3.061 20 0 FGADRP COc1ccc(C[NH+]2CCC(C[NH2+][C@@H](C)c3cn(C)nc3C)CC2)cc1 ZINC000178157173 496351198 /nfs/dbraw/zinc/35/11/98/496351198.db2.gz XPDMEFHVTPMAPE-INIZCTEOSA-N 2 0 356.514 3.300 20 0 FGADRP C[NH+](C)[C@@H](CNC(=O)N1CCC[N@@H+](C2CCCC2)CC1)C1CCCCC1 ZINC000569053764 505839816 /nfs/dbraw/zinc/83/98/16/505839816.db2.gz HDPLNLAPRYQNFV-FQEVSTJZSA-N 2 0 364.578 3.157 20 0 FGADRP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1)c1ccc2c(c1)CCO2 ZINC000178306458 496406862 /nfs/dbraw/zinc/40/68/62/496406862.db2.gz VDBWISHPIDCFGH-KRWDZBQOSA-N 2 0 366.505 3.429 20 0 FGADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)NCc2cccc(C[NH+]3CCCC3)c2)C1 ZINC000157210545 496429494 /nfs/dbraw/zinc/42/94/94/496429494.db2.gz ZRNBHDASSBRXBS-OAQYLSRUSA-N 2 0 372.557 3.060 20 0 FGADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)CC(=O)N(C)Cc2cccc(Cl)c2)C1 ZINC000163214799 496482133 /nfs/dbraw/zinc/48/21/33/496482133.db2.gz IYWOJRSXHVGZOV-DOTOQJQBSA-N 2 0 351.922 3.008 20 0 FGADRP O=C1c2ccccc2C(=O)N1CCCC[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157514717 496492560 /nfs/dbraw/zinc/49/25/60/496492560.db2.gz ADTQXCXNPAGMEC-SFHVURJKSA-N 2 0 369.509 3.013 20 0 FGADRP CC(C)n1cncc1CNc1ccc(C(=O)N(C)[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000580828134 505847933 /nfs/dbraw/zinc/84/79/33/505847933.db2.gz DSKODANYLRGOSO-LJQANCHMSA-N 2 0 369.513 3.242 20 0 FGADRP NC(=O)[C@H]1CCC[N@H+](Cc2cccc(C[NH2+]C(C3CCC3)C3CCC3)c2)C1 ZINC000571932126 505848454 /nfs/dbraw/zinc/84/84/54/505848454.db2.gz ZYBYJXMMXHUHIK-NRFANRHFSA-N 2 0 369.553 3.442 20 0 FGADRP CC(C)(C)NC(=O)C[NH+]1CCC(C[NH2+][C@@H]2CCCc3sccc32)CC1 ZINC000163531957 496527669 /nfs/dbraw/zinc/52/76/69/496527669.db2.gz AUDCTTOJELMDNZ-QGZVFWFLSA-N 2 0 363.571 3.342 20 0 FGADRP CC[C@@H]([NH2+]CCC(=O)N1CCN(C)CC1)c1ccc(Cl)c(Cl)c1 ZINC000178669240 496534176 /nfs/dbraw/zinc/53/41/76/496534176.db2.gz WFGNAMRENXEBIK-MRXNPFEDSA-N 2 0 358.313 3.198 20 0 FGADRP CC[C@@H]([NH2+]CCCC[NH+]1CCN(c2ccccc2)CC1)c1cnn(C)c1 ZINC000178698391 496544977 /nfs/dbraw/zinc/54/49/77/496544977.db2.gz MOMRKWKXPGUWHH-OAQYLSRUSA-N 2 0 355.530 3.063 20 0 FGADRP CC[C@H]([NH2+]CCCC[NH+]1CCN(c2ccccc2)CC1)c1cnn(C)c1 ZINC000178698379 496545015 /nfs/dbraw/zinc/54/50/15/496545015.db2.gz MOMRKWKXPGUWHH-NRFANRHFSA-N 2 0 355.530 3.063 20 0 FGADRP C[C@H](C(=O)NCC1CC[NH+](Cc2ccccc2)CC1)[C@@H]([NH3+])c1ccccc1 ZINC000178731445 496554194 /nfs/dbraw/zinc/55/41/94/496554194.db2.gz BRVHRRXXUOVGTL-PGRDOPGGSA-N 2 0 365.521 3.351 20 0 FGADRP C[C@@H]([NH2+]Cc1ccc(-n2cncn2)cc1)c1cccc(OCC[NH+](C)C)c1 ZINC000178742409 496557752 /nfs/dbraw/zinc/55/77/52/496557752.db2.gz AAGHIGDOXIRFFC-QGZVFWFLSA-N 2 0 365.481 3.059 20 0 FGADRP C[C@H]([NH2+]CCCN1CCC[N@H+](C)CC1)c1cc(Br)ccc1F ZINC000178778776 496567765 /nfs/dbraw/zinc/56/77/65/496567765.db2.gz YLWMHWOXKFRWAS-AWEZNQCLSA-N 2 0 372.326 3.266 20 0 FGADRP C[NH+]1CCC(C(=O)N2CC[N@H+](Cc3ccccc3)C3(CCCCC3)C2)CC1 ZINC000153768141 496573753 /nfs/dbraw/zinc/57/37/53/496573753.db2.gz SNQKYXMXEGXDEN-UHFFFAOYSA-N 2 0 369.553 3.376 20 0 FGADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H](C)c1ccc(OC)cc1Br ZINC000181874869 496581509 /nfs/dbraw/zinc/58/15/09/496581509.db2.gz MLGUMPAIIPTBFF-HIFRSBDPSA-N 2 0 373.335 3.465 20 0 FGADRP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)NCCCC[NH+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000158015628 496608712 /nfs/dbraw/zinc/60/87/12/496608712.db2.gz GXNMOTKQJANWMV-ZCNNSNEGSA-N 2 0 366.594 3.022 20 0 FGADRP C[C@@H]([NH2+]CCCCC[NH+]1CCCCC1)c1ccc(NS(C)(=O)=O)cc1 ZINC000164627177 496623316 /nfs/dbraw/zinc/62/33/16/496623316.db2.gz PDEVSXCTXZAHRM-QGZVFWFLSA-N 2 0 367.559 3.365 20 0 FGADRP C[C@H]([NH2+]C1(CN[C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)CCOCC1)c1ccccc1 ZINC000153931322 496627329 /nfs/dbraw/zinc/62/73/29/496627329.db2.gz RTLXWWHRCSXNDI-XODKDNOYSA-N 2 0 359.558 3.205 20 0 FGADRP C[C@@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000158110401 496628701 /nfs/dbraw/zinc/62/87/01/496628701.db2.gz SUCZGGPPRIMPOF-UONOGXRCSA-N 2 0 357.420 3.354 20 0 FGADRP [NH3+][C@H](CCC(=O)NCc1cccc(C[NH+]2CCCC2)c1)c1ccccc1 ZINC000164725356 496630056 /nfs/dbraw/zinc/63/00/56/496630056.db2.gz OKOREEBTYMOMMC-OAQYLSRUSA-N 2 0 351.494 3.379 20 0 FGADRP O=C(NC1CC[NH+](C2CCCC2)CC1)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000176025422 496647670 /nfs/dbraw/zinc/64/76/70/496647670.db2.gz MLMHNMMBJQTUBT-FQEVSTJZSA-N 2 0 362.562 3.053 20 0 FGADRP C[C@@H]1C[C@H](N(C)C(=O)NCC2([NH+]3CCCCC3)CCCCC2)CC[N@@H+]1C ZINC000173346438 496652684 /nfs/dbraw/zinc/65/26/84/496652684.db2.gz DNQBNCZFWFRYHY-RTBURBONSA-N 2 0 364.578 3.299 20 0 FGADRP C[N@@H+]1CCC[C@H](C[NH2+]C2CCN(Cc3c(F)cccc3Cl)CC2)C1 ZINC000158264090 496662856 /nfs/dbraw/zinc/66/28/56/496662856.db2.gz BGZDUGVRYMAUIR-OAHLLOKOSA-N 2 0 353.913 3.375 20 0 FGADRP C[C@@H](O)C[C@H]1CCC[N@@H+]1Cc1cccc(C[NH+]2CCC[C@@H]2C[C@H](C)O)c1 ZINC000179090805 496671819 /nfs/dbraw/zinc/67/18/19/496671819.db2.gz QGWKHRDSVPNGHR-GMQQQROESA-N 2 0 360.542 3.157 20 0 FGADRP Cc1ccc([C@H](CNC(=O)C[C@@H](C)C2CC[NH2+]CC2)[NH+]2CCCC2)cc1 ZINC000166329269 496683684 /nfs/dbraw/zinc/68/36/84/496683684.db2.gz RXACMQFGWZRBOB-NQIIRXRSSA-N 2 0 357.542 3.274 20 0 FGADRP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO)c1ccc2c(c1)OCO2 ZINC000182226870 496713958 /nfs/dbraw/zinc/71/39/58/496713958.db2.gz JTCCLLIKXOMJLO-OXQOHEQNSA-N 2 0 368.477 3.223 20 0 FGADRP CC1CC[NH+]([C@@H](CNC(=O)N(C)CCC[NH+](C)C)c2cccs2)CC1 ZINC000185236393 496713993 /nfs/dbraw/zinc/71/39/93/496713993.db2.gz WSBHXKDFMCMQBJ-KRWDZBQOSA-N 2 0 366.575 3.114 20 0 FGADRP COc1cc([C@@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CC[C@H](O)C2)ccc1F ZINC000182269920 496723741 /nfs/dbraw/zinc/72/37/41/496723741.db2.gz NOSQITMXGSLBEC-BEFAXECRSA-N 2 0 358.457 3.252 20 0 FGADRP O[C@H]1CC[N@H+](Cc2ccccc2C[NH2+][C@H]2CCCOc3cc(F)ccc32)C1 ZINC000182269200 496724041 /nfs/dbraw/zinc/72/40/41/496724041.db2.gz DIUJRIKQWGBJKM-FPOVZHCZSA-N 2 0 370.468 3.396 20 0 FGADRP CCC[C@H]([NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1)c1cccnc1 ZINC000185321999 496728970 /nfs/dbraw/zinc/72/89/70/496728970.db2.gz MATSJFWUDKMRDC-FQEVSTJZSA-N 2 0 354.498 3.004 20 0 FGADRP CCN(CC)c1ccc(C[NH2+][C@@H]2CCN(Cc3ccccn3)C[C@H]2C)cn1 ZINC000246969623 496739270 /nfs/dbraw/zinc/73/92/70/496739270.db2.gz IZZLDTFXRHWCPW-WIYYLYMNSA-N 2 0 367.541 3.323 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1)c1ccsc1 ZINC000247007962 496750509 /nfs/dbraw/zinc/75/05/09/496750509.db2.gz RPMAIBMJRYADFO-QGPMSJSTSA-N 2 0 364.559 3.055 20 0 FGADRP C[C@@H]([NH2+]CCCn1ccnc1)c1ccccc1I ZINC000268706809 496764288 /nfs/dbraw/zinc/76/42/88/496764288.db2.gz BWCSJHCSGMSAPV-GFCCVEGCSA-N 2 0 355.223 3.229 20 0 FGADRP COc1cc2[nH]c(CCC[NH2+][C@@H]3C[C@H](C)[N@H+](C)C[C@@H]3C)cc2c(OC)c1 ZINC000247120732 496785588 /nfs/dbraw/zinc/78/55/88/496785588.db2.gz PRQKYXAOBLFQNG-YZVOILCLSA-N 2 0 359.514 3.436 20 0 FGADRP CCC[C@H]([NH2+]Cc1ccc(C(=O)N2CCN(C)CC2)cc1)c1cccnc1 ZINC000273368547 496785948 /nfs/dbraw/zinc/78/59/48/496785948.db2.gz FLMKBICKFPHVIM-NRFANRHFSA-N 2 0 366.509 3.100 20 0 FGADRP CC[N@@H+]1CC[C@@H]([NH2+]C2CCN(Cc3ccc(F)c(F)c3)CC2)[C@@H](C)C1 ZINC000247174901 496797588 /nfs/dbraw/zinc/79/75/88/496797588.db2.gz UVIRMCFNZBFFBO-MGPUTAFESA-N 2 0 351.485 3.249 20 0 FGADRP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@H](C)C1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000247192551 496801529 /nfs/dbraw/zinc/80/15/29/496801529.db2.gz VTGZSGKJIBKXQT-JKSUJKDBSA-N 2 0 370.534 3.392 20 0 FGADRP C[C@@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)[NH+]1CCCCCC1 ZINC000247224408 496809500 /nfs/dbraw/zinc/80/95/00/496809500.db2.gz RMZASWFNNBIZFW-DYXWJJEUSA-N 2 0 357.542 3.420 20 0 FGADRP C[C@@H]([NH2+]CCc1ccc(OCC[NH+](C)C)cc1)c1ccc([S@](C)=O)cc1 ZINC000268870868 496810314 /nfs/dbraw/zinc/81/03/14/496810314.db2.gz KDUOBYFUBZMJTI-QUGAMOGWSA-N 2 0 374.550 3.258 20 0 FGADRP CCOc1cc2[nH+]ccc(NCC[N@@H+]3CCCOCC3)c2cc1OCC ZINC000188502684 496812164 /nfs/dbraw/zinc/81/21/64/496812164.db2.gz FWJXOKNDORTZMK-UHFFFAOYSA-N 2 0 359.470 3.166 20 0 FGADRP Cc1ccccc1C[C@@H](CO)[NH2+][C@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000191564338 496814253 /nfs/dbraw/zinc/81/42/53/496814253.db2.gz FXVHZOPWDVHASO-NQIIRXRSSA-N 2 0 356.510 3.190 20 0 FGADRP C[C@@H](C[NH+]1CCCCCC1)NC(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000188548348 496827508 /nfs/dbraw/zinc/82/75/08/496827508.db2.gz YSIDSBCRQITVSE-SFHVURJKSA-N 2 0 364.578 3.205 20 0 FGADRP COc1cccc2c1CC[C@@H]2[NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1 ZINC000269063088 496861755 /nfs/dbraw/zinc/86/17/55/496861755.db2.gz KRMRSWJNTHMDBP-QFIPXVFZSA-N 2 0 366.505 3.429 20 0 FGADRP C[C@@H](C(=O)NCc1ccc(Cl)cc1)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000247479750 496868638 /nfs/dbraw/zinc/86/86/38/496868638.db2.gz JZUJBTYJGKOAAL-MAUKXSAKSA-N 2 0 351.922 3.151 20 0 FGADRP Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)C1CC[NH+](C2CC2)CC1 ZINC000195407141 496914083 /nfs/dbraw/zinc/91/40/83/496914083.db2.gz NOEFADOYJSEQMV-UHFFFAOYSA-N 2 0 373.566 3.357 20 0 FGADRP C[C@H]([NH3+])C1CCN(C(=O)NCc2ccccc2C[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000580941373 505873490 /nfs/dbraw/zinc/87/34/90/505873490.db2.gz FMGZDZVAAYKUEU-MSOLQXFVSA-N 2 0 372.557 3.187 20 0 FGADRP CCN(Cc1ccc(-n2ccnc2)cc1C)Cc1nc2ccccc2c(=O)[nH]1 ZINC000191920189 496932000 /nfs/dbraw/zinc/93/20/00/496932000.db2.gz WGMFTDGXIAHVKL-UHFFFAOYSA-N 2 0 373.460 3.439 20 0 FGADRP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)c1ccc(OC(F)(F)F)cc1 ZINC000247958230 496932352 /nfs/dbraw/zinc/93/23/52/496932352.db2.gz FWHZJUQBDANQKB-HOCLYGCPSA-N 2 0 360.420 3.473 20 0 FGADRP C[N@@H+]1CCC[C@@H]2C[NH+](CCC(=O)Nc3ccc(Cl)cc3F)CC[C@H]21 ZINC000247981304 496938930 /nfs/dbraw/zinc/93/89/30/496938930.db2.gz IJROFDQZWVHDDC-CXAGYDPISA-N 2 0 353.869 3.224 20 0 FGADRP C[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1)c1cccs1 ZINC000247988820 496939689 /nfs/dbraw/zinc/93/96/89/496939689.db2.gz JCYNVROJVUMJKU-CRAIPNDOSA-N 2 0 357.523 3.296 20 0 FGADRP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)[C@H]1CCC[NH+]1Cc1ccccc1 ZINC000248127599 496958806 /nfs/dbraw/zinc/95/88/06/496958806.db2.gz XIJSQOISOOJIJO-PZJWPPBQSA-N 2 0 357.542 3.422 20 0 FGADRP CC(C)[NH2+]C1CCN(C(=O)Nc2cccc([C@H](C)N3CCOCC3)c2)CC1 ZINC000264768475 496981484 /nfs/dbraw/zinc/98/14/84/496981484.db2.gz RMTSKDWWKRXRAB-KRWDZBQOSA-N 2 0 374.529 3.074 20 0 FGADRP C[C@H](CNC(=O)N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)[NH+]1CCC[C@@H](C)C1 ZINC000248395686 496994684 /nfs/dbraw/zinc/99/46/84/496994684.db2.gz GOJCDJDXQUDMGQ-YRXWBPOGSA-N 2 0 364.578 3.059 20 0 FGADRP C[C@@H]1C[N@H+](CCC[NH2+]Cc2cccc(OCc3ccccn3)c2)CCCO1 ZINC000278080260 496997593 /nfs/dbraw/zinc/99/75/93/496997593.db2.gz ZZTWIGZPQNFTPU-LJQANCHMSA-N 2 0 369.509 3.251 20 0 FGADRP O=C(CC[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)N1CCCCC1 ZINC000248405310 496998062 /nfs/dbraw/zinc/99/80/62/496998062.db2.gz REDGMXHISWQIRE-FDFHNCONSA-N 2 0 369.553 3.279 20 0 FGADRP C[NH+]1CCN(c2ncccc2C[NH2+][C@H]2CC[C@H](Cc3ccccc3)C2)CC1 ZINC000189088692 497004160 /nfs/dbraw/zinc/00/41/60/497004160.db2.gz LNZABHFGLWEODH-IRLDBZIGSA-N 2 0 364.537 3.334 20 0 FGADRP FC(F)(F)Oc1cccc(N2CC[C@H]([NH2+][C@H]3CC[N@@H+]4CCC[C@H]4C3)C2)c1 ZINC000269973185 497035303 /nfs/dbraw/zinc/03/53/03/497035303.db2.gz OUZNOCZXTHIANO-JYJNAYRXSA-N 2 0 369.431 3.380 20 0 FGADRP C[C@H]([NH2+]C1(CNC(=O)NC2CC[NH+](C)CC2)CCCC1)c1ccccc1 ZINC000265060681 497039042 /nfs/dbraw/zinc/03/90/42/497039042.db2.gz WHKQSYYHTGNLKG-KRWDZBQOSA-N 2 0 358.530 3.043 20 0 FGADRP Cc1ccc(C)c(OC[C@H](O)C[NH2+][C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000248589108 497049979 /nfs/dbraw/zinc/04/99/79/497049979.db2.gz QSQBPAJJLIGCDS-SVFBPWRDSA-N 2 0 360.542 3.286 20 0 FGADRP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)c1cc(Br)cs1 ZINC000248728053 497090462 /nfs/dbraw/zinc/09/04/62/497090462.db2.gz JPYDWCMIJOTVCO-OCCSQVGLSA-N 2 0 361.349 3.398 20 0 FGADRP c1ccc(CC[N@@H+]2CC[C@@H](C[NH2+][C@H]3[C@H]4CCO[C@H]4C34CCCC4)C2)cc1 ZINC000248822140 497110553 /nfs/dbraw/zinc/11/05/53/497110553.db2.gz XTSJLGMJHIWRGA-LNRXMEIDSA-N 2 0 354.538 3.488 20 0 FGADRP COC(=O)C1CCC([NH2+]C2[C@H](C)C[NH+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000192444842 497116272 /nfs/dbraw/zinc/11/62/72/497116272.db2.gz APEFDMMQEXAVSM-NXMBOHNASA-N 2 0 358.526 3.464 20 0 FGADRP CC(C)(CNC(=O)CC[C@@H]([NH3+])c1ccccc1)[N@@H+]1CCc2ccccc2C1 ZINC000236649617 497126137 /nfs/dbraw/zinc/12/61/37/497126137.db2.gz BOHYBWNPRSJAEJ-OAQYLSRUSA-N 2 0 365.521 3.420 20 0 FGADRP C[N@H+](CCOCC(F)(F)C(F)F)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000189482883 497131580 /nfs/dbraw/zinc/13/15/80/497131580.db2.gz AUSKLDDTIGSSFW-INIZCTEOSA-N 2 0 362.411 3.357 20 0 FGADRP CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21 ZINC000274647493 497137202 /nfs/dbraw/zinc/13/72/02/497137202.db2.gz CFJIBCYWAREWIX-AEFFLSMTSA-N 2 0 373.541 3.258 20 0 FGADRP Cc1cnccc1OC1CCN(C(=O)c2ccc(-n3ccnc3)cc2)CC1 ZINC000278517733 497140875 /nfs/dbraw/zinc/14/08/75/497140875.db2.gz FSRCEVCFJGWUMC-UHFFFAOYSA-N 2 0 362.433 3.259 20 0 FGADRP C[C@@H]1C[C@@H](NC(=O)[C@](C)([NH3+])c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000192528702 497141618 /nfs/dbraw/zinc/14/16/18/497141618.db2.gz DJRUDMLDWULRNM-PIPMEXSNSA-N 2 0 351.494 3.030 20 0 FGADRP C[C@@H]([NH2+]CCCN1CCC[N@H+](C)CC1)c1cc(Cl)c(N)c(Cl)c1 ZINC000270531296 497145978 /nfs/dbraw/zinc/14/59/78/497145978.db2.gz UXGPZTHVOXFLQD-CYBMUJFWSA-N 2 0 359.345 3.254 20 0 FGADRP Cc1ccc(C)c([C@@H]2C[N@@H+](CCCN3CC[NH+](C(C)C)CC3)[C@@H](C)CO2)c1 ZINC000249053148 497155929 /nfs/dbraw/zinc/15/59/29/497155929.db2.gz OONIMEJUGNAGKP-GMAHTHKFSA-N 2 0 373.585 3.481 20 0 FGADRP CC[NH+](CC)CCC[NH2+][C@@H](C)CC(=O)Nc1ccc(Br)cc1 ZINC000236854094 497156513 /nfs/dbraw/zinc/15/65/13/497156513.db2.gz DMPXEBSSMLBGPV-AWEZNQCLSA-N 2 0 370.335 3.488 20 0 FGADRP C[NH+]1CCC(Nc2ccccc2NC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000237073944 497188406 /nfs/dbraw/zinc/18/84/06/497188406.db2.gz HKGGSPOJFKWIBH-ZNXRZULTSA-N 2 0 356.514 3.052 20 0 FGADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CCC[C@@H]2C[C@@H](O)c2cccs2)CC1 ZINC000249301496 497190017 /nfs/dbraw/zinc/19/00/17/497190017.db2.gz SAJPEXBBCWGWOP-RTBURBONSA-N 2 0 365.587 3.052 20 0 FGADRP CC(C)OCCN1CCC([NH2+][C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000274885458 497190196 /nfs/dbraw/zinc/19/01/96/497190196.db2.gz IIVNBYUVVROVBC-IRLDBZIGSA-N 2 0 373.585 3.376 20 0 FGADRP CC(C)[NH+]1CCN(CCC[N@H+](C[C@H]2CCCO2)C2CCC(C)CC2)CC1 ZINC000192747046 497202509 /nfs/dbraw/zinc/20/25/09/497202509.db2.gz WROFAIVQTOISCH-LZBANZJXSA-N 2 0 365.606 3.462 20 0 FGADRP CC(C)[NH+]1CCN(CCC[NH2+][C@@H](C)c2ccc(NC(=O)C3CC3)cc2)CC1 ZINC000192786799 497213873 /nfs/dbraw/zinc/21/38/73/497213873.db2.gz GHXSFSUXJLCUIA-SFHVURJKSA-N 2 0 372.557 3.102 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)[C@@H]1CC12CC[NH2+]CC2 ZINC000237343524 497223398 /nfs/dbraw/zinc/22/33/98/497223398.db2.gz CNSCVAMSUQNALV-XLIONFOSSA-N 2 0 355.526 3.067 20 0 FGADRP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@H](C[NH3+])c2ccccc2)CC1 ZINC000237409165 497231896 /nfs/dbraw/zinc/23/18/96/497231896.db2.gz KNCKFUWNYRYFTD-DYESRHJHSA-N 2 0 351.494 3.071 20 0 FGADRP CCC[N@@H+]1CC[C@H](CNC(=O)NC[C@H](c2ccccc2)[NH+](CC)CC)C1 ZINC000249734728 497239477 /nfs/dbraw/zinc/23/94/77/497239477.db2.gz DNMFMDXAQGJNJU-UYAOXDASSA-N 2 0 360.546 3.101 20 0 FGADRP C[C@H](C(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1)[C@@H]([NH3+])c1ccccc1 ZINC000237462314 497241132 /nfs/dbraw/zinc/24/11/32/497241132.db2.gz UXWUQGRCNAXCNB-IOMROCGXSA-N 2 0 351.494 3.276 20 0 FGADRP C[C@@H]1C[C@@H](CCNC(=O)C[C@@H]([NH3+])c2ccccc2)C[N@@H+]1Cc1ccccc1 ZINC000578235777 505894856 /nfs/dbraw/zinc/89/48/56/505894856.db2.gz XNYKBLANJXVWBD-SYYKKAFVSA-N 2 0 365.521 3.493 20 0 FGADRP O=C(CCC1CC[NH2+]CC1)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000237874866 497305733 /nfs/dbraw/zinc/30/57/33/497305733.db2.gz HSUCXUDRJHYPFX-LJQANCHMSA-N 2 0 363.933 3.373 20 0 FGADRP O=C(CCC1CC[NH2+]CC1)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000237951192 497319387 /nfs/dbraw/zinc/31/93/87/497319387.db2.gz YVYLEZRUQWNKRR-SEJPIABJSA-N 2 0 355.526 3.078 20 0 FGADRP [NH3+]C[C@@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccccc1 ZINC000238019383 497327774 /nfs/dbraw/zinc/32/77/74/497327774.db2.gz JUQSEQMOBGOKMM-LQCXBHPOSA-N 2 0 363.505 3.041 20 0 FGADRP CC(=O)Nc1ccc(C[NH2+][C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000279212703 497369473 /nfs/dbraw/zinc/36/94/73/497369473.db2.gz YIBFROMDEBBCAO-JXFKEZNVSA-N 2 0 352.482 3.040 20 0 FGADRP COc1cccc2c1CC[C@@H]([NH2+]Cc1ccncc1OCCC[NH+](C)C)C2 ZINC000578277630 505903117 /nfs/dbraw/zinc/90/31/17/505903117.db2.gz HVHPVMFQXKMPOU-LJQANCHMSA-N 2 0 369.509 3.068 20 0 FGADRP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)c1cccc(Br)c1 ZINC000245418315 497396295 /nfs/dbraw/zinc/39/62/95/497396295.db2.gz AUHZBCNFQLSWCW-PBHICJAKSA-N 2 0 355.320 3.337 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)CC(=O)N[C@@H](C)c2ccc(Cl)cc2)[C@@H](C)C1 ZINC000245440520 497407953 /nfs/dbraw/zinc/40/79/53/497407953.db2.gz UOUMHKYFPZHDHS-MPGHIAIKSA-N 2 0 351.922 3.179 20 0 FGADRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@@H](C)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000266777048 497417682 /nfs/dbraw/zinc/41/76/82/497417682.db2.gz BZZAQYRYXXOPLQ-SJORKVTESA-N 2 0 369.575 3.098 20 0 FGADRP CCOc1ccc(-c2nc(CN3CC[C@@](C)(C[NH3+])C3)cs2)cc1OC ZINC000261667369 497430138 /nfs/dbraw/zinc/43/01/38/497430138.db2.gz IUHROCIOODSPOP-IBGZPJMESA-N 2 0 361.511 3.388 20 0 FGADRP CC[C@@H](C(=O)N[C@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21)[NH+](CC)CC ZINC000266869234 497434715 /nfs/dbraw/zinc/43/47/15/497434715.db2.gz XAQDYMAFVPFISG-OALUTQOASA-N 2 0 373.541 3.211 20 0 FGADRP Cc1ccc([C@@H](CCn2cncn2)[NH2+]C[C@H]2CCC[N@@H+](C(C)C)C2)cc1 ZINC000275845508 497446804 /nfs/dbraw/zinc/44/68/04/497446804.db2.gz KCURCLRCEAMYQY-TZIWHRDSSA-N 2 0 355.530 3.428 20 0 FGADRP Brc1cccc(OC2CC[NH+](C[C@H]3CCC[NH2+]C3)CC2)c1 ZINC000261783900 497450394 /nfs/dbraw/zinc/45/03/94/497450394.db2.gz FPJZIVIFRSJHJW-AWEZNQCLSA-N 2 0 353.304 3.292 20 0 FGADRP C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)N1CC[C@](C)(C[NH3+])C1 ZINC000261802547 497454198 /nfs/dbraw/zinc/45/41/98/497454198.db2.gz VZITUONWKRYWGS-HRAATJIYSA-N 2 0 353.466 3.477 20 0 FGADRP C[NH+](C)Cc1cccc(NC(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000193716946 497456818 /nfs/dbraw/zinc/45/68/18/497456818.db2.gz JIHLQXBQVUZKRZ-HXUWFJFHSA-N 2 0 366.509 3.392 20 0 FGADRP C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+]CC1=CC[N@H+](C)CC1 ZINC000271817114 497459458 /nfs/dbraw/zinc/45/94/58/497459458.db2.gz BPKOZTDSUPUQHQ-CYBMUJFWSA-N 2 0 371.403 3.154 20 0 FGADRP C[C@@H]1CC[N@@H+]([C@@H]2CCCN(c3ccccc3F)C2=O)C[C@H]1n1ccnc1 ZINC000245611899 497474319 /nfs/dbraw/zinc/47/43/19/497474319.db2.gz OGMUMTHAQJGQSD-ATZDWAIDSA-N 2 0 356.445 3.101 20 0 FGADRP COc1ccc(C[C@H](C)[NH2+]CC2(SC)CC[NH+](C)CC2)cc1OC ZINC000581102224 505909597 /nfs/dbraw/zinc/90/95/97/505909597.db2.gz WUBUOBAFAZJALP-HNNXBMFYSA-N 2 0 352.544 3.052 20 0 FGADRP CCC[NH+](CCC)CCCC(=O)N1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000276035278 497485735 /nfs/dbraw/zinc/48/57/35/497485735.db2.gz RQXMVPNFBRQRGQ-OAQYLSRUSA-N 2 0 374.573 3.264 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)NC2CC[NH+](C(C)(C)C)CC2)C1 ZINC000193846558 497500626 /nfs/dbraw/zinc/50/06/26/497500626.db2.gz HFLKUFWXIWHLSI-CALCHBBNSA-N 2 0 366.594 3.305 20 0 FGADRP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(C)c(OCC(=O)OC)c(C)c2)[C@@H](C)C1 ZINC000245694896 497505410 /nfs/dbraw/zinc/50/54/10/497505410.db2.gz CDBTVZXNQSTMGT-HKUYNNGSSA-N 2 0 362.514 3.017 20 0 FGADRP CN(c1ccccc1CN1CC[C@@H](C[NH+]2CCCC2)C1)C1CC[NH+](C)CC1 ZINC000245712043 497512261 /nfs/dbraw/zinc/51/22/61/497512261.db2.gz GENTWLYOYKHBJC-FQEVSTJZSA-N 2 0 370.585 3.135 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])C1 ZINC000262227725 497527215 /nfs/dbraw/zinc/52/72/15/497527215.db2.gz GLZKEMICYWIXOX-PAVKGVHNSA-N 2 0 361.574 3.253 20 0 FGADRP C[C@H](CCc1ccc(C(F)(F)F)cc1)[NH2+][C@H](C)CN1CC[NH+](C)CC1 ZINC000193982666 497539351 /nfs/dbraw/zinc/53/93/51/497539351.db2.gz AJQJGFWCIRPGNY-HZPDHXFCSA-N 2 0 357.464 3.252 20 0 FGADRP CCCCO[C@@H]1C[C@H]([NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)C1(C)C ZINC000245884403 497558664 /nfs/dbraw/zinc/55/86/64/497558664.db2.gz LHYBRYWFFBTJOM-ZGXWSNOMSA-N 2 0 352.563 3.328 20 0 FGADRP C[C@H]([NH2+]Cc1ccc(-n2cncn2)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272209561 497564935 /nfs/dbraw/zinc/56/49/35/497564935.db2.gz PXQPGIXQFQDDOF-GHTZIAJQSA-N 2 0 361.493 3.268 20 0 FGADRP COc1ccc([C@@H]([NH2+]CC2(O)CC[NH+](C)CC2)c2ccccc2Cl)cc1 ZINC000272252810 497578026 /nfs/dbraw/zinc/57/80/26/497578026.db2.gz CFWZCPXEYVNMNM-HXUWFJFHSA-N 2 0 374.912 3.484 20 0 FGADRP O=C1[C@H](N2CC[C@@H](C[NH+]3CCCCC3)C2)CCCN1c1ccccc1F ZINC000245936594 497578497 /nfs/dbraw/zinc/57/84/97/497578497.db2.gz ZPCNPVRIDVLNER-FXAWDEMLSA-N 2 0 359.489 3.129 20 0 FGADRP [NH3+]CC1(CC(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)CCCCC1 ZINC000262617905 497584200 /nfs/dbraw/zinc/58/42/00/497584200.db2.gz CBRGWDRRQILUAD-KRWDZBQOSA-N 2 0 363.571 3.376 20 0 FGADRP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000262629321 497587639 /nfs/dbraw/zinc/58/76/39/497587639.db2.gz DCQDQLZVUXCWFC-MJLAPFRSSA-N 2 0 369.553 3.278 20 0 FGADRP C[C@H](CC(=O)N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1)[C@H]1CCC[NH2+]C1 ZINC000262657725 497593358 /nfs/dbraw/zinc/59/33/58/497593358.db2.gz VGVGVDJNQNAQMX-DYXWJJEUSA-N 2 0 357.542 3.135 20 0 FGADRP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)CC1 ZINC000262661012 497594658 /nfs/dbraw/zinc/59/46/58/497594658.db2.gz GGUIHWISNRCZDY-PLWAMTLXSA-N 2 0 355.526 3.249 20 0 FGADRP CC[C@H](CNC(=O)[C@H](C)[C@@H]([NH3+])c1ccccc1)[N@@H+]1CCc2ccccc2C1 ZINC000262660010 497594751 /nfs/dbraw/zinc/59/47/51/497594751.db2.gz FUMHYGNTUSQDNC-ZPMCFJSWSA-N 2 0 365.521 3.276 20 0 FGADRP Cc1ccc([C@@H]([NH3+])C(=O)N2CCC(C[N@@H+](C)Cc3ccccc3)CC2)cc1 ZINC000262667408 497595895 /nfs/dbraw/zinc/59/58/95/497595895.db2.gz QAXJPIBFTVVHKX-JOCHJYFZSA-N 2 0 365.521 3.365 20 0 FGADRP C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000262673559 497597162 /nfs/dbraw/zinc/59/71/62/497597162.db2.gz PZVZZYKIRBGDDJ-HFRPFFAFSA-N 2 0 369.553 3.455 20 0 FGADRP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@H]([NH3+])c1ccc(C)cc1 ZINC000262687540 497600474 /nfs/dbraw/zinc/60/04/74/497600474.db2.gz YIQZFLSURXVQAY-RBBKRZOGSA-N 2 0 365.521 3.365 20 0 FGADRP C[C@@]1(O)CCC[N@H+](Cc2ccc(C[NH+]3CCC[C@](C)(O)CC3)cc2)CC1 ZINC000279957103 497601704 /nfs/dbraw/zinc/60/17/04/497601704.db2.gz GWRPPXGIPWEWHG-SZPZYZBQSA-N 2 0 360.542 3.160 20 0 FGADRP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)NCC[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000578334569 505917507 /nfs/dbraw/zinc/91/75/07/505917507.db2.gz IBQNWUSTRLDVJJ-ZFMNYDKASA-N 2 0 372.557 3.198 20 0 FGADRP CCO[C@H]1C[C@]([NH3+])(C(=O)Nc2ccc(C[NH+]3CCC(C)CC3)cc2)C1(C)C ZINC000262780969 497619658 /nfs/dbraw/zinc/61/96/58/497619658.db2.gz KXDQFBMPNXVSKQ-UGKGYDQZSA-N 2 0 373.541 3.390 20 0 FGADRP COc1ccccc1CCC[NH+]1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC000272438639 497630082 /nfs/dbraw/zinc/63/00/82/497630082.db2.gz BXSNVPYVXXXMDH-UHFFFAOYSA-N 2 0 359.558 3.118 20 0 FGADRP Cc1ccc([C@H](CNC(=O)N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)[NH+]2CCCC2)cc1 ZINC000246140232 497635101 /nfs/dbraw/zinc/63/51/01/497635101.db2.gz BVPHLAZSXDOSIV-LMNJBCLMSA-N 2 0 370.541 3.056 20 0 FGADRP COC(=O)c1ccc(CN(C)[C@@H]2CC[N@H+](C)C[C@@H]2C)c(Br)c1 ZINC000575095721 505919823 /nfs/dbraw/zinc/91/98/23/505919823.db2.gz SAPGGJXWADXMBE-BLLLJJGKSA-N 2 0 369.303 3.008 20 0 FGADRP C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@@H]1C)[N@@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000246171991 497646906 /nfs/dbraw/zinc/64/69/06/497646906.db2.gz SKZWOZGCWLFELN-SPOLIRPYSA-N 2 0 358.530 3.145 20 0 FGADRP C[C@H](C(=O)Nc1ccc(OC(F)F)cc1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246171113 497647142 /nfs/dbraw/zinc/64/71/42/497647142.db2.gz JDWRHAMBORTEMF-CABCVRRESA-N 2 0 367.440 3.033 20 0 FGADRP C[C@@H]1C[C@@H](N(C)C(=O)[C@@](C)([NH3+])c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000262928642 497658079 /nfs/dbraw/zinc/65/80/79/497658079.db2.gz SMEICFMDJSKYNS-JZWVFAODSA-N 2 0 365.521 3.372 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)NCc1ccc(C[NH3+])cc1)c1ccccc1 ZINC000578354812 505921593 /nfs/dbraw/zinc/92/15/93/505921593.db2.gz HHPJISDTUJNCDZ-FQEVSTJZSA-N 2 0 354.498 3.028 20 0 FGADRP C[C@@H]1CN(Cc2ccccc2)C[C@H]1[NH2+]CCc1nc2c(cccc2F)n1C ZINC000246300411 497688399 /nfs/dbraw/zinc/68/83/99/497688399.db2.gz VEQYTLSXMWXLPO-VQIMIIECSA-N 2 0 366.484 3.365 20 0 FGADRP CC1=CCC[C@H](C)[C@@H]1C[NH+]1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000191057415 497696414 /nfs/dbraw/zinc/69/64/14/497696414.db2.gz OMBAUARHXTZOMC-AZUAARDMSA-N 2 0 363.590 3.395 20 0 FGADRP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3ccc(C(F)(F)F)cc3C)C2)CC1 ZINC000191066047 497698425 /nfs/dbraw/zinc/69/84/25/497698425.db2.gz IBIIFISJBRAHGF-SFHVURJKSA-N 2 0 355.448 3.226 20 0 FGADRP CC(C)[C@H]1C[C@@H]([NH2+]Cc2cnc(N3CCN(C)CC3)nc2)c2ccccc21 ZINC000280261384 497700266 /nfs/dbraw/zinc/70/02/66/497700266.db2.gz ZYIQDOPDFKAWQF-NHCUHLMSSA-N 2 0 365.525 3.203 20 0 FGADRP Cc1c([C@H](C)[NH2+]CCN2CC[NH+](Cc3ccccc3)CC2)cnn1C(C)C ZINC000191127629 497718584 /nfs/dbraw/zinc/71/85/84/497718584.db2.gz NQPTXTMHQXUNFN-IBGZPJMESA-N 2 0 369.557 3.241 20 0 FGADRP C[C@H]([NH2+][C@@H](C)[C@@H](O)Cc1ccccc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000246434331 497733249 /nfs/dbraw/zinc/73/32/49/497733249.db2.gz ODKFMSGVBJRGEF-SPEDKVCISA-N 2 0 356.510 3.270 20 0 FGADRP CC[C@H](C)[C@H](C)NC(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000246433683 497733443 /nfs/dbraw/zinc/73/34/43/497733443.db2.gz INRCMYSZLJTVAM-RAUXBKROSA-N 2 0 366.594 3.400 20 0 FGADRP Cc1c([C@@H](C)[NH2+]Cc2ccc(CN3CC[NH+](C)CC3)cc2)cnn1C(C)C ZINC000191192838 497738958 /nfs/dbraw/zinc/73/89/58/497738958.db2.gz HITQXIGNYLDGFV-GOSISDBHSA-N 2 0 369.557 3.371 20 0 FGADRP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@H]1CCCC[C@]1(C)[NH3+] ZINC000263263932 497745110 /nfs/dbraw/zinc/74/51/10/497745110.db2.gz RHTMMHHYOYBKMY-URVUXULASA-N 2 0 357.542 3.265 20 0 FGADRP CCCC[N@H+](C)CC1CC[NH+]([C@H](C)C(=O)NC(=O)Nc2ccccc2)CC1 ZINC000194741077 497755914 /nfs/dbraw/zinc/75/59/14/497755914.db2.gz AKVRVWJSWYSOPV-QGZVFWFLSA-N 2 0 374.529 3.167 20 0 FGADRP CN(C(=O)NC1CC[NH+](C(C)(C)C)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000268539375 497776848 /nfs/dbraw/zinc/77/68/48/497776848.db2.gz SHNYHMSWMBGONZ-FQEVSTJZSA-N 2 0 372.557 3.165 20 0 FGADRP C[C@@H]1CN(Cc2ccccn2)CC[C@H]1[NH2+]CCOc1ccc(F)c(F)c1 ZINC000246589509 497783497 /nfs/dbraw/zinc/78/34/97/497783497.db2.gz ZHBUPQKRRKVSFP-FOIQADDNSA-N 2 0 361.436 3.239 20 0 FGADRP C[C@H](C(=O)N1c2ccccc2C[C@@H]1C)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246929391 497820813 /nfs/dbraw/zinc/82/08/13/497820813.db2.gz SYOKKSGXBONFID-NZGUISNBSA-N 2 0 367.537 3.301 20 0 FGADRP C[C@H](C[NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)c1cc(F)cc(F)c1 ZINC000295866456 497835797 /nfs/dbraw/zinc/83/57/97/497835797.db2.gz XDTAJGRUYJBORB-JSNMRZPZSA-N 2 0 352.469 3.426 20 0 FGADRP COc1ccccc1-n1nccc1C[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000575194307 505940400 /nfs/dbraw/zinc/94/04/00/505940400.db2.gz XSMWRXLYFFPRCS-UHFFFAOYSA-N 2 0 356.514 3.433 20 0 FGADRP COc1ccc([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1Cn1cccn1 ZINC000295987829 497880823 /nfs/dbraw/zinc/88/08/23/497880823.db2.gz PICMNHRYHNXUIR-FAXKSRBJSA-N 2 0 354.498 3.216 20 0 FGADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH+]1CCC(OC[C@H]2CCCCO2)CC1 ZINC000329750695 497888534 /nfs/dbraw/zinc/88/85/34/497888534.db2.gz IINGQJUTTJIHGZ-OAQYLSRUSA-N 2 0 370.497 3.126 20 0 FGADRP O=C(NC1CC[NH+](C2CCCC2)CC1)c1ccccc1CC1CC[NH2+]CC1 ZINC000569489136 505947363 /nfs/dbraw/zinc/94/73/63/505947363.db2.gz KIFGDGZVWHFOHV-UHFFFAOYSA-N 2 0 369.553 3.366 20 0 FGADRP Cn1cncc1CC[NH2+][C@@H]1CCCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000578479531 505949148 /nfs/dbraw/zinc/94/91/48/505949148.db2.gz OBVRGCCUXWEZAD-KSEOMHKRSA-N 2 0 352.526 3.243 20 0 FGADRP C[NH+]1CCC(CC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)CC1 ZINC000292263380 497944729 /nfs/dbraw/zinc/94/47/29/497944729.db2.gz TVBGEZBBZRMUJU-FCHUYYIVSA-N 2 0 369.553 3.231 20 0 FGADRP C[C@H]([NH2+]CCCN1CC[NH+](C)CC1)c1ccc(Oc2ccccc2)cn1 ZINC000296183126 497946989 /nfs/dbraw/zinc/94/69/89/497946989.db2.gz YFVSONREHCGNKO-SFHVURJKSA-N 2 0 354.498 3.162 20 0 FGADRP Cc1c([C@H](C)[NH2+]C[C@@H]2CCCN(C)[C@@H]2c2cnn(C)c2)cnn1C(C)(C)C ZINC000364437633 497957688 /nfs/dbraw/zinc/95/76/88/497957688.db2.gz DFYVIFPMKMHTCL-KNBMTAEXSA-N 2 0 372.561 3.414 20 0 FGADRP C[C@H](O)[C@](C)(C[NH2+][C@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@H]1C)Cc1ccccc1 ZINC000364586969 498037820 /nfs/dbraw/zinc/03/78/20/498037820.db2.gz ZCPXJUJXXPQRFY-RNTGTLJKSA-N 2 0 374.569 3.095 20 0 FGADRP COc1cc(C[NH2+]C[C@@H]2CC[N@H+](CCc3ccccc3)C2)cc(OC)c1O ZINC000289208348 498061139 /nfs/dbraw/zinc/06/11/39/498061139.db2.gz IIXKZQXINRYWEC-SFHVURJKSA-N 2 0 370.493 3.064 20 0 FGADRP Oc1cccc2c1CCC[C@@H]2[NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000285358778 498062199 /nfs/dbraw/zinc/06/21/99/498062199.db2.gz VOAAOCFEJOJSQH-RXVVDRJESA-N 2 0 352.478 3.126 20 0 FGADRP Cc1nc(CN2CCCN(c3ccnc4cc(Cl)ccc43)CC2)no1 ZINC000301437681 498110912 /nfs/dbraw/zinc/11/09/12/498110912.db2.gz XDVFHXOSVUGTGG-UHFFFAOYSA-N 2 0 357.845 3.292 20 0 FGADRP CC(=O)N1CC[C@@H]([NH2+]CC2CC[NH+](C3CC3)CC2)c2ccc(F)cc2C1 ZINC000364847727 498171525 /nfs/dbraw/zinc/17/15/25/498171525.db2.gz JUJLRSDXRIVWGS-OAQYLSRUSA-N 2 0 359.489 3.083 20 0 FGADRP Cc1ncc(CN2CC[C@H]([NH2+]CC(=O)Nc3cccc(C)c3)[C@H](C)C2)s1 ZINC000364899280 498198170 /nfs/dbraw/zinc/19/81/70/498198170.db2.gz XNBSOFOTVIDSLO-BEFAXECRSA-N 2 0 372.538 3.199 20 0 FGADRP O=C(NCCC[NH+]1CCCC1)C1CC[NH+](Cc2cc(Cl)cs2)CC1 ZINC000289681236 498246829 /nfs/dbraw/zinc/24/68/29/498246829.db2.gz DZYHJQQKOZUZNK-UHFFFAOYSA-N 2 0 369.962 3.216 20 0 FGADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H](Cc1ccncc1)c1ccc(OC)cc1 ZINC000285937689 498247573 /nfs/dbraw/zinc/24/75/73/498247573.db2.gz FPAVTPFVUNPKCV-VXKWHMMOSA-N 2 0 371.525 3.320 20 0 FGADRP COC(=O)c1csc([C@@H](C)[NH2+]Cc2ccccc2OCC[NH+](C)C)c1 ZINC000286007859 498266074 /nfs/dbraw/zinc/26/60/74/498266074.db2.gz JAEKQFOYQXHDBL-CQSZACIVSA-N 2 0 362.495 3.326 20 0 FGADRP O[C@H](C[NH2+][C@@H]1CCCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)C1CCOCC1 ZINC000286028770 498271574 /nfs/dbraw/zinc/27/15/74/498271574.db2.gz JAOVTHJKGFQEEA-KAOXLYBCSA-N 2 0 372.553 3.054 20 0 FGADRP COCCC[C@H]([NH2+]C[C@@H](C(C)C)N1CC[NH+](C)CC1)c1ccc(F)cc1 ZINC000281888319 498307032 /nfs/dbraw/zinc/30/70/32/498307032.db2.gz GVRNNRSYBOJKBJ-SFTDATJTSA-N 2 0 365.537 3.155 20 0 FGADRP CN(C)c1cc(Cl)cc(Cl)c1C[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000575840002 506014806 /nfs/dbraw/zinc/01/48/06/506014806.db2.gz DCYJNRZDFPPECV-UHFFFAOYSA-N 2 0 373.372 3.175 20 0 FGADRP O=C(Nc1cccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)c1)[C@@H]1CCCO1 ZINC000575795124 506006337 /nfs/dbraw/zinc/00/63/37/506006337.db2.gz VVWHFEXVVOSUSX-NCYKPQTJSA-N 2 0 371.525 3.205 20 0 FGADRP Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)[C@H](C[NH3+])c1ccccc1 ZINC000569813701 506022642 /nfs/dbraw/zinc/02/26/42/506022642.db2.gz KZDSPUFGZAVPOM-LJQANCHMSA-N 2 0 369.534 3.225 20 0 FGADRP FC(F)C1CCC([NH2+]CCCN2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000282044265 498369676 /nfs/dbraw/zinc/36/96/76/498369676.db2.gz UXRKHKCRYFOQTE-UHFFFAOYSA-N 2 0 352.473 3.007 20 0 FGADRP Cc1cc(-n2ccnc2)ccc1C[NH2+][C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@@H]1C ZINC000365273125 498382483 /nfs/dbraw/zinc/38/24/83/498382483.db2.gz YSPTUYOPCINNJR-YUXAGFNASA-N 2 0 368.525 3.160 20 0 FGADRP C[C@@H]([NH2+]Cc1ccc2c(c1)NC(=O)CO2)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000293530243 498404271 /nfs/dbraw/zinc/40/42/71/498404271.db2.gz DTZVPERNIXHUGN-APWZRJJASA-N 2 0 365.477 3.018 20 0 FGADRP C[C@@H]1C[C@@H]([NH2+]C2CCN(c3cc[nH+]cc3)CC2)CN1Cc1ccccc1 ZINC000297356829 498418608 /nfs/dbraw/zinc/41/86/08/498418608.db2.gz FLDXAGLZDCOLTA-WIYYLYMNSA-N 2 0 350.510 3.303 20 0 FGADRP C[C@H]1[C@@H]([NH2+]C2CCN(c3cc[nH+]cc3)CC2)CCN1Cc1ccccc1 ZINC000297373574 498425134 /nfs/dbraw/zinc/42/51/34/498425134.db2.gz HWXOVNFMRSUBJH-AVRDEDQJSA-N 2 0 350.510 3.303 20 0 FGADRP [NH3+][C@H]1CCCO[C@@H]1C1CC[NH+](Cc2cccc(-c3cccnc3)c2)CC1 ZINC000572702455 506032176 /nfs/dbraw/zinc/03/21/76/506032176.db2.gz KLOGSJGROPHDTR-FCHUYYIVSA-N 2 0 351.494 3.467 20 0 FGADRP C[NH+](C)CCc1ccc(C(=O)Nc2cccc3c2OCC[C@H]3[NH+](C)C)cc1 ZINC000575933919 506036461 /nfs/dbraw/zinc/03/64/61/506036461.db2.gz ZSZIUCNHBBTCIF-HXUWFJFHSA-N 2 0 367.493 3.428 20 0 FGADRP CN(Cc1csc(C2CCCC2)n1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000362255194 498481739 /nfs/dbraw/zinc/48/17/39/498481739.db2.gz INZLCSCJOCQNGP-LJQANCHMSA-N 2 0 362.587 3.401 20 0 FGADRP C[C@@H]1C[N@H+](CCC[NH2+][C@H](C[C@@H]2CCOC2)c2ccc(F)cc2)CCCO1 ZINC000293793197 498490614 /nfs/dbraw/zinc/49/06/14/498490614.db2.gz UNGPLUMHQOZCCR-LVCYWYKZSA-N 2 0 364.505 3.384 20 0 FGADRP COc1cccc(NC(=O)[C@H](c2ccccc2)[NH+]2CCC(CC[NH3+])CC2)c1 ZINC000578898852 506046891 /nfs/dbraw/zinc/04/68/91/506046891.db2.gz HQSXZVHQGBOTJS-NRFANRHFSA-N 2 0 367.493 3.436 20 0 FGADRP C[N@@H+]1CCCN(CCC[NH2+][C@@H]2CCc3sc(Br)cc32)CC1 ZINC000293889190 498523582 /nfs/dbraw/zinc/52/35/82/498523582.db2.gz VTUURLUYZUFXRY-CQSZACIVSA-N 2 0 372.376 3.115 20 0 FGADRP C[C@@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)c1ccc(Br)s1 ZINC000282473114 498525852 /nfs/dbraw/zinc/52/58/52/498525852.db2.gz UVDCAVZDNAKRMX-GFCCVEGCSA-N 2 0 360.365 3.187 20 0 FGADRP C[C@H](O)C[NH+]1CCC(C[N@H+](C)Cc2cscc2C(F)(F)F)CC1 ZINC000572773496 506048481 /nfs/dbraw/zinc/04/84/81/506048481.db2.gz SFBOWPJTFIBELX-LBPRGKRZSA-N 2 0 350.450 3.292 20 0 FGADRP C[C@H](c1ccc(F)cc1)N1CC[C@@H]([N@@H+]2CC[C@@H](C)[C@H](n3ccnc3)C2)C1=O ZINC000293919201 498533139 /nfs/dbraw/zinc/53/31/39/498533139.db2.gz XTHAIOWIDPMOPP-XNFNUYLZSA-N 2 0 370.472 3.267 20 0 FGADRP COCC[N@H+](C)CCCC1CC[NH+](Cc2cc(-c3cccnc3)n[nH]2)CC1 ZINC000362656179 498533691 /nfs/dbraw/zinc/53/36/91/498533691.db2.gz RDBRIJJYCQTVGU-UHFFFAOYSA-N 2 0 371.529 3.042 20 0 FGADRP Cc1cc(OCCC[C@@H](C)[NH2+]CC2(O)CC[NH+](C)CC2)ccc1Cl ZINC000282586379 498571105 /nfs/dbraw/zinc/57/11/05/498571105.db2.gz ICPURXYGXRHUBH-MRXNPFEDSA-N 2 0 354.922 3.242 20 0 FGADRP CC(C)(CO)[C@H](C[NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1ccccc1 ZINC000294097178 498586965 /nfs/dbraw/zinc/58/69/65/498586965.db2.gz BQYICXMLZCNZAU-OAQYLSRUSA-N 2 0 353.510 3.442 20 0 FGADRP C[C@H](C[NH2+]C[C@@H](C)c1ccc(C(F)(F)F)cc1)CN1CC[NH+](C)CC1 ZINC000290556409 498596496 /nfs/dbraw/zinc/59/64/96/498596496.db2.gz ZJKYDXGVUDAOTF-HZPDHXFCSA-N 2 0 357.464 3.282 20 0 FGADRP CC1CCC([NH+]2CCC(NC(=O)N(C)[C@H]3CC[N@H+](C)[C@H](C)C3)CC2)CC1 ZINC000365709729 498607699 /nfs/dbraw/zinc/60/76/99/498607699.db2.gz FLLRHUXDRSZUIK-YTQPIUFNSA-N 2 0 364.578 3.154 20 0 FGADRP COc1ccc(C[NH+](C)C)cc1NC(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000569986329 506062618 /nfs/dbraw/zinc/06/26/18/506062618.db2.gz SZIFAMNFZNAWJS-IBGZPJMESA-N 2 0 367.493 3.217 20 0 FGADRP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000302971101 498634485 /nfs/dbraw/zinc/63/44/85/498634485.db2.gz OAHKOSIAYPIHPN-HXUWFJFHSA-N 2 0 374.573 3.113 20 0 FGADRP Cc1ccc(C[NH+]2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)c(-c2ccnn2C)c1 ZINC000572851340 506067774 /nfs/dbraw/zinc/06/77/74/506067774.db2.gz KLEPEMSKYWFDNV-IFMALSPDSA-N 2 0 368.525 3.114 20 0 FGADRP C[C@H](O)[C@@](C)(C[NH2+]C1CCN(c2cc[nH+]cc2)CC1)Cc1ccccc1 ZINC000298063929 498654187 /nfs/dbraw/zinc/65/41/87/498654187.db2.gz KIUFZGSAKUIUGP-PGRDOPGGSA-N 2 0 353.510 3.270 20 0 FGADRP CC(C)[NH2+]CCCNC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000572857715 506069172 /nfs/dbraw/zinc/06/91/72/506069172.db2.gz ROTQSHMIRFKFOI-AZUAARDMSA-N 2 0 360.546 3.069 20 0 FGADRP Cc1ccc(NC(=O)N2C[C@@H]([NH+]3CCCC3)C[C@H]2C)c(OCC[NH+](C)C)c1 ZINC000287199751 498670011 /nfs/dbraw/zinc/67/00/11/498670011.db2.gz GEPWMGQKBMMDMF-MSOLQXFVSA-N 2 0 374.529 3.026 20 0 FGADRP C[C@H](C(=O)NCCC[N@H+](C)C1CCCCC1)N1CCc2ccccc2C1 ZINC000303492915 498681626 /nfs/dbraw/zinc/68/16/26/498681626.db2.gz SNIGISJTXSGTGZ-GOSISDBHSA-N 2 0 357.542 3.204 20 0 FGADRP CC1CC[NH+](CCc2cccc(NC(=O)NC3(C)CC[NH2+]CC3)c2)CC1 ZINC000576090340 506074053 /nfs/dbraw/zinc/07/40/53/506074053.db2.gz BXVMPYNFVSLWGP-UHFFFAOYSA-N 2 0 358.530 3.225 20 0 FGADRP CC[C@@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1nnc2n1CCCCC2 ZINC000298235984 498705046 /nfs/dbraw/zinc/70/50/46/498705046.db2.gz BTPYTASMZAZJAM-GOSISDBHSA-N 2 0 354.502 3.109 20 0 FGADRP NC1(C[NH2+][C@@H]2CCCC[C@@H]2[C@H]2CCOC2)CC[NH+](Cc2ccccc2)CC1 ZINC000570077657 506084827 /nfs/dbraw/zinc/08/48/27/506084827.db2.gz HMRDLQXLDPASAW-BHDDXSALSA-N 2 0 371.569 3.165 20 0 FGADRP c1ccc(CCN2CCC([NH2+]C3CCN(c4cc[nH+]cc4)CC3)CC2)cc1 ZINC000298463325 498780001 /nfs/dbraw/zinc/78/00/01/498780001.db2.gz OJGKYERXZOJPSG-UHFFFAOYSA-N 2 0 364.537 3.347 20 0 FGADRP CC(C)[C@H](C[NH2+]C1CCN(c2cc[nH+]cc2)CC1)NC(=O)OC(C)(C)C ZINC000298507726 498796224 /nfs/dbraw/zinc/79/62/24/498796224.db2.gz QUILQHLPYFEHEB-SFHVURJKSA-N 2 0 362.518 3.189 20 0 FGADRP C[C@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1ccc2c(c1)CCC(=O)N2 ZINC000298599854 498825403 /nfs/dbraw/zinc/82/54/03/498825403.db2.gz ZCVBZCKYXSTWOY-HNNXBMFYSA-N 2 0 350.466 3.286 20 0 FGADRP c1ccc(CC[N@@H+]2CC[C@@H](C[NH2+]C3CCN(c4cc[nH+]cc4)CC3)C2)cc1 ZINC000298606826 498827464 /nfs/dbraw/zinc/82/74/64/498827464.db2.gz ZQZTZNNQNIRWDG-NRFANRHFSA-N 3 0 364.537 3.205 20 0 FGADRP CN(C[C@H]1CC[N@H+](C)C1)C(=O)C1CC[NH+](Cc2ccc(Cl)s2)CC1 ZINC000363479000 498841349 /nfs/dbraw/zinc/84/13/49/498841349.db2.gz FCFUQZKOXFHHQM-AWEZNQCLSA-N 2 0 369.962 3.024 20 0 FGADRP C[NH+](C)CCc1ccc(NC(=O)C2(c3ccccc3)CC[NH2+]CC2)cc1 ZINC000366335653 498876996 /nfs/dbraw/zinc/87/69/96/498876996.db2.gz WBTVZMSUNOLTTN-UHFFFAOYSA-N 2 0 351.494 3.051 20 0 FGADRP CCN1CCC[C@@H](C[N@H+](C)C[C@](C)(O)c2ccccc2)[C@@H]1c1cnn(C)c1 ZINC000328644530 498887054 /nfs/dbraw/zinc/88/70/54/498887054.db2.gz RTFFTVNCTMRCMY-BWAGFHJFSA-N 2 0 370.541 3.033 20 0 FGADRP O=C(Nc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)cc1)c1ccncc1 ZINC000581997018 506109753 /nfs/dbraw/zinc/10/97/53/506109753.db2.gz DBYMVKDNSCLAPU-PWRODBHTSA-N 2 0 364.493 3.344 20 0 FGADRP O=C(Nc1cccc2c1CC[NH2+]C2)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000570184004 506110239 /nfs/dbraw/zinc/11/02/39/506110239.db2.gz JBLSMENZXMOOAS-SFHVURJKSA-N 2 0 370.541 3.452 20 0 FGADRP C[C@@H]([NH2+]CCCN1CC[NH+](C)CC1)c1csc(-c2ccccc2F)n1 ZINC000291379977 498916888 /nfs/dbraw/zinc/91/68/88/498916888.db2.gz ZIQYDFLEFXTKPQ-OAHLLOKOSA-N 2 0 362.518 3.237 20 0 FGADRP Cc1ncsc1CC[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000295126507 498918090 /nfs/dbraw/zinc/91/80/90/498918090.db2.gz XZPIDACCNGRICG-UHFFFAOYSA-N 2 0 358.555 3.314 20 0 FGADRP COc1cc(C[NH2+][C@@H]2CCOC2(C)C)cc(C[NH2+][C@@H]2CCOC2(C)C)c1 ZINC000295262349 498959919 /nfs/dbraw/zinc/95/99/19/498959919.db2.gz RLACCSTYIPBUEH-RTBURBONSA-N 2 0 362.514 3.009 20 0 FGADRP C[C@@H](C(=O)Nc1ccccc1NC1CC[NH+](C)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000299149502 498978921 /nfs/dbraw/zinc/97/89/21/498978921.db2.gz YRHTZJJJHSWRLS-BBWFWOEESA-N 2 0 358.530 3.393 20 0 FGADRP CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]Cc2cnc[nH]2)[C@@H](c2ccccc2)C1 ZINC000366593801 498994321 /nfs/dbraw/zinc/99/43/21/498994321.db2.gz JLKUOHZITYBOPA-QZTJIDSGSA-N 2 0 356.470 3.293 20 0 FGADRP COc1cc(C[NH2+][C@H](C)C[C@@H](C)[NH3+])cc(OC)c1OCc1ccccc1 ZINC000582062759 506124742 /nfs/dbraw/zinc/12/47/42/506124742.db2.gz ZVDDSOPVOLLVCL-HZPDHXFCSA-N 2 0 358.482 3.498 20 0 FGADRP C[C@H]([NH2+][C@H]1CC[C@@H](C(=O)N2CCCC2)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000366666192 499025927 /nfs/dbraw/zinc/02/59/27/499025927.db2.gz LNDAEKLGDUFJNB-SXLOBPIMSA-N 2 0 373.541 3.069 20 0 FGADRP C[C@@H](CC[NH2+][C@H](CCO)c1ccco1)CC[NH2+][C@@H](CCO)c1ccco1 ZINC000299397744 499046886 /nfs/dbraw/zinc/04/68/86/499046886.db2.gz RYFKYYMNMIMLJC-BCDXTJNWSA-N 2 0 364.486 3.015 20 0 FGADRP CCOC(=O)c1oc2c(c1C)[C@H]([NH2+]C[C@H]1CCc3nccn3C1)CCC2 ZINC000366730494 499051660 /nfs/dbraw/zinc/05/16/60/499051660.db2.gz OXVFWDBWJPERTC-HUUCEWRRSA-N 2 0 357.454 3.191 20 0 FGADRP Cn1ccnc1[C@@H]([NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1)C1CC1 ZINC000284233145 499073032 /nfs/dbraw/zinc/07/30/32/499073032.db2.gz DPJPOLDTKRLRLI-FQEVSTJZSA-N 2 0 354.498 3.134 20 0 FGADRP Cc1ccc([C@H]([NH3+])C(=O)NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)cc1 ZINC000366819494 499083917 /nfs/dbraw/zinc/08/39/17/499083917.db2.gz GJWQTZCTIFSQDU-WDSOQIARSA-N 2 0 357.523 3.256 20 0 FGADRP c1ccc(C[N@@H+]2CCCO[C@H](CN3CCC[NH+](C4CCCC4)CC3)C2)cc1 ZINC000284302147 499085083 /nfs/dbraw/zinc/08/50/83/499085083.db2.gz ZFOJZJKTNZAFQD-HSZRJFAPSA-N 2 0 371.569 3.228 20 0 FGADRP Nc1nc(CN2CCCC[C@H]2[C@H]2CC[NH2+]C2)nc2sc3c(c21)CCCC3 ZINC000333850810 499087690 /nfs/dbraw/zinc/08/76/90/499087690.db2.gz NLJFKOCXFHXURQ-ZFWWWQNUSA-N 2 0 371.554 3.116 20 0 FGADRP O=C(C1CC1)N1CCCCC[C@@H]1C1CC[NH+](CCC[NH+]2CCCC2)CC1 ZINC000366893753 499108470 /nfs/dbraw/zinc/10/84/70/499108470.db2.gz BPPNGHYJNQVWHU-OAQYLSRUSA-N 2 0 361.574 3.366 20 0 FGADRP Cc1cc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2ccc(-n3ccnc3C)c(F)c2)on1 ZINC000364148807 499124102 /nfs/dbraw/zinc/12/41/02/499124102.db2.gz YSBSQKYWPYNFJW-QWHCGFSZSA-N 2 0 371.416 3.294 20 0 FGADRP C[C@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)c1cccc(Br)c1 ZINC000369882889 499144818 /nfs/dbraw/zinc/14/48/18/499144818.db2.gz NYKFUTGPHAHLDB-YOEHRIQHSA-N 2 0 366.347 3.268 20 0 FGADRP CC(C)C[N@@H+]1CCCN(C(=O)c2oc3ccccc3c2C[NH+](C)C)CC1 ZINC000369925748 499153069 /nfs/dbraw/zinc/15/30/69/499153069.db2.gz FTXJZXNCCFMSSK-UHFFFAOYSA-N 2 0 357.498 3.298 20 0 FGADRP COc1ccccc1[C@@H](C)NC(=O)[C@H](C)[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000367199369 499160427 /nfs/dbraw/zinc/16/04/27/499160427.db2.gz JJSBDNGCNVMEGZ-MSOLQXFVSA-N 2 0 373.541 3.069 20 0 FGADRP C[N@H+](CC1CCN(C(=O)OC(C)(C)C)CC1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000367214073 499162659 /nfs/dbraw/zinc/16/26/59/499162659.db2.gz ZGOMPWYMQRUPNT-JWTNVVGKSA-N 2 0 351.535 3.191 20 0 FGADRP C[N@H+](C[C@@H]1CC12CC[NH+](C[C@@H](O)c1c(F)cccc1F)CC2)C1CC1 ZINC000367309532 499177997 /nfs/dbraw/zinc/17/79/97/499177997.db2.gz JMQJXNQTYUJAGD-KBXCAEBGSA-N 2 0 350.453 3.195 20 0 FGADRP C[C@@H](c1nc(-c2cccnc2)no1)[NH+]1CCC2(C[C@H]2C[N@H+](C)C2CC2)CC1 ZINC000367308867 499178471 /nfs/dbraw/zinc/17/84/71/499178471.db2.gz FQGOTTXQZRPAFR-RDJZCZTQSA-N 2 0 367.497 3.389 20 0 FGADRP CSc1ccc(OC[C@@H](O)C[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)cc1 ZINC000582109280 506136140 /nfs/dbraw/zinc/13/61/40/506136140.db2.gz MEKNWGICZYKASU-HNNXBMFYSA-N 2 0 352.544 3.047 20 0 FGADRP CN(c1ccccc1CNC1CC([NH+]2CCCCC2)C1)C1CC[NH+](C)CC1 ZINC000370110091 499182112 /nfs/dbraw/zinc/18/21/12/499182112.db2.gz DZWDTGJUIMBHCA-UHFFFAOYSA-N 2 0 370.585 3.324 20 0 FGADRP CCC[C@@H]1C[C@@H]1NC(=O)N(C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000370262827 499203327 /nfs/dbraw/zinc/20/33/27/499203327.db2.gz YRJLTQPXVSXJOO-QUCCMNQESA-N 2 0 364.578 3.013 20 0 FGADRP CC[NH+](CC)CCOc1ccc(C[NH2+][C@@H]2CCCc3n[nH]cc32)cc1OC ZINC000367607300 499216900 /nfs/dbraw/zinc/21/69/00/499216900.db2.gz NMVFALPHNILPPN-GOSISDBHSA-N 2 0 372.513 3.306 20 0 FGADRP C[N@@H+]1CC[C@H]([NH2+]C2CCC(NC(=O)OC(C)(C)C)CC2)[C@@H]2CCC[C@@H]21 ZINC000367620094 499218689 /nfs/dbraw/zinc/21/86/89/499218689.db2.gz PZYIAVMCNLAVFS-CNFALQKSSA-N 2 0 351.535 3.285 20 0 FGADRP C[N@H+](C[C@@]1(C)CCN(C(=O)OC(C)(C)C)C1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000367700201 499226044 /nfs/dbraw/zinc/22/60/44/499226044.db2.gz BMUBNHBFXASZBZ-YUBNGQEKSA-N 2 0 351.535 3.191 20 0 FGADRP CC(C)([NH3+])c1nocc1C(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000576358818 506139065 /nfs/dbraw/zinc/13/90/65/506139065.db2.gz APQFDLUWPHQLSA-UHFFFAOYSA-N 2 0 370.497 3.174 20 0 FGADRP C[NH+](C)C1CCN(c2ccc(NC(=O)[C@@H]3C[C@@H]4CCCC[N@@H+]4C3)cc2)CC1 ZINC000370586048 499233847 /nfs/dbraw/zinc/23/38/47/499233847.db2.gz ZXAGMCGYTNFKJK-UTKZUKDTSA-N 2 0 370.541 3.030 20 0 FGADRP CCOc1ccc(C[NH2+][C@@H]2CC[N@H+](C[C@H]3CCCO3)C[C@H]2C)cc1F ZINC000370623619 499236788 /nfs/dbraw/zinc/23/67/88/499236788.db2.gz AGKXGUCFPVMEGX-SZVBFZGTSA-N 2 0 350.478 3.203 20 0 FGADRP C[C@@H]1C[N@@H+](CCCC[NH2+]C2CCN(Cc3cccs3)CC2)C[C@H](C)O1 ZINC000370645696 499239444 /nfs/dbraw/zinc/23/94/44/499239444.db2.gz LOZWHRXJMLBGJU-HDICACEKSA-N 2 0 365.587 3.192 20 0 FGADRP COc1ccccc1C[C@H](C)[NH2+]CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000370661545 499241292 /nfs/dbraw/zinc/24/12/92/499241292.db2.gz SUDMPOJXZMWPDA-IBGZPJMESA-N 2 0 373.585 3.412 20 0 FGADRP C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000370676627 499243275 /nfs/dbraw/zinc/24/32/75/499243275.db2.gz MOROMUSSFUTGSW-NJAFHUGGSA-N 2 0 363.933 3.293 20 0 FGADRP COC(=O)c1ccc(-c2ccc(C[N@@H+]3CC[C@@H](c4nccn4C)C3)o2)cc1 ZINC000570320083 506140941 /nfs/dbraw/zinc/14/09/41/506140941.db2.gz YNOUCHFJEJLTRW-QGZVFWFLSA-N 2 0 365.433 3.456 20 0 FGADRP OC1CC[NH+](Cc2ccccc2C[NH2+]C2CC(c3ccccn3)C2)CC1 ZINC000368028792 499256871 /nfs/dbraw/zinc/25/68/71/499256871.db2.gz GFHHNQCJMUTQLH-UHFFFAOYSA-N 2 0 351.494 3.074 20 0 FGADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CCCC[C@@H]2[C@H]2C[C@H](C)CC[C@@H]2O)CC1 ZINC000368247494 499277884 /nfs/dbraw/zinc/27/78/84/499277884.db2.gz ZXYQSBKGIRVFAE-YSFYHYPLSA-N 2 0 365.606 3.054 20 0 FGADRP FC(F)Cn1cc(C[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)cn1 ZINC000368319277 499284944 /nfs/dbraw/zinc/28/49/44/499284944.db2.gz WEBZPDWQGDFRRT-IPMKNSEASA-N 2 0 360.452 3.148 20 0 FGADRP C[C@@H](O)c1ncc(C[NH2+]CC2CC[NH+](CCc3ccccc3)CC2)s1 ZINC000368569235 499308624 /nfs/dbraw/zinc/30/86/24/499308624.db2.gz VDWKMXXLXJPTKM-MRXNPFEDSA-N 2 0 359.539 3.241 20 0 FGADRP CC(C)[NH+]1CCN(C2CC[NH+](CCOc3ccc(Cl)cc3)CC2)CC1 ZINC000371343204 499313288 /nfs/dbraw/zinc/31/32/88/499313288.db2.gz FVOZMXOIYJCWMS-UHFFFAOYSA-N 2 0 365.949 3.209 20 0 FGADRP CC(=O)N1CC[C@H]([NH2+]C[C@H](C)C[NH+]2CCCCC2)c2ccc(F)cc2C1 ZINC000368630972 499315691 /nfs/dbraw/zinc/31/56/91/499315691.db2.gz HOESACJAZDZKEK-KKSFZXQISA-N 2 0 361.505 3.331 20 0 FGADRP CN(C(=O)c1ccc(-n2ccnc2)cc1)C1CCN(c2cc[nH+]cc2)CC1 ZINC000371541130 499339570 /nfs/dbraw/zinc/33/95/70/499339570.db2.gz SAPIJZNOPYPUFP-UHFFFAOYSA-N 2 0 361.449 3.008 20 0 FGADRP COc1cccc(C[N@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)c1OC ZINC000371900408 499376604 /nfs/dbraw/zinc/37/66/04/499376604.db2.gz YFEKHCDDSHBAEY-UHFFFAOYSA-N 2 0 355.482 3.447 20 0 FGADRP C[C@@H]([NH2+][C@H]1CCC12CCOCC2)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000369227256 499380020 /nfs/dbraw/zinc/38/00/20/499380020.db2.gz YOYTWKKZUVXKSA-UZLBHIALSA-N 2 0 361.505 3.187 20 0 FGADRP C[C@@H]([NH2+][C@@H]1CCC12CCOCC2)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000369227255 499380154 /nfs/dbraw/zinc/38/01/54/499380154.db2.gz YOYTWKKZUVXKSA-OXQOHEQNSA-N 2 0 361.505 3.187 20 0 FGADRP c1cn(Cc2ccccc2C[NH2+]C2CCN(Cc3ccncc3)CC2)cn1 ZINC000371983579 499386717 /nfs/dbraw/zinc/38/67/17/499386717.db2.gz IIZCRTLONCJHBS-UHFFFAOYSA-N 2 0 361.493 3.081 20 0 FGADRP COc1c(CN(C)[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c(C)nn1C ZINC000372399724 499429231 /nfs/dbraw/zinc/42/92/31/499429231.db2.gz SSKZCIKEFSJAEJ-OXQOHEQNSA-N 2 0 356.514 3.080 20 0 FGADRP C[NH+]1CCC2(CCC[N@H+](Cc3ccc(Cl)cc3-n3cncn3)C2)CC1 ZINC000369722823 499438920 /nfs/dbraw/zinc/43/89/20/499438920.db2.gz UBMSLMHVCLCZGL-UHFFFAOYSA-N 2 0 359.905 3.229 20 0 FGADRP O=C(c1ccoc1)N1CCC([NH2+]C[C@@H]2CCC[N@@H+]2C2CCCCC2)CC1 ZINC000369722857 499438994 /nfs/dbraw/zinc/43/89/94/499438994.db2.gz UKOGZRPBZWXFRN-FQEVSTJZSA-N 2 0 359.514 3.271 20 0 FGADRP CCC[NH+]1CCN(C2CC[NH+](CCSCc3ccccc3)CC2)CC1 ZINC000372955570 499444653 /nfs/dbraw/zinc/44/46/53/499444653.db2.gz NZFRPNZWJDALIR-UHFFFAOYSA-N 2 0 361.599 3.412 20 0 FGADRP C[C@H]1CCC[N@H+](CCCC[NH2+][C@@H]2CCS(=O)(=O)c3ccc(F)cc32)C1 ZINC000373223239 499458395 /nfs/dbraw/zinc/45/83/95/499458395.db2.gz HKCACSISQRXIFL-MAUKXSAKSA-N 2 0 368.518 3.146 20 0 FGADRP CC[NH+](CC)C[C@@H]1CCN(Cc2nc3c(s2)C[N@@H+](C(C)C)CC3)C1 ZINC000373258200 499460203 /nfs/dbraw/zinc/46/02/03/499460203.db2.gz GXWKUNUEFUKZMX-INIZCTEOSA-N 2 0 350.576 3.073 20 0 FGADRP CC[NH+](CC)CCOc1ccc(NC(=O)[C@@H]([NH3+])c2ccccc2C)cc1 ZINC000576395779 506148423 /nfs/dbraw/zinc/14/84/23/506148423.db2.gz OAGPBQVHCKIBPT-FQEVSTJZSA-N 2 0 355.482 3.354 20 0 FGADRP C[NH2+]CCc1ccccc1C(=O)NCC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000379668320 499542868 /nfs/dbraw/zinc/54/28/68/499542868.db2.gz DHAVUGNEMUMCSP-SFHVURJKSA-N 2 0 353.510 3.089 20 0 FGADRP COc1cc(C)nc(CN2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC000389007187 499551700 /nfs/dbraw/zinc/55/17/00/499551700.db2.gz VZLBREKRXCXQEN-VQTJNVASSA-N 2 0 351.494 3.353 20 0 FGADRP COc1ccc(C2(C[NH2+][C@@H]3CC[N@H+](C)[C@@H]4CCC[C@H]43)CCOCC2)cc1 ZINC000375847440 499561638 /nfs/dbraw/zinc/56/16/38/499561638.db2.gz AZMVETFYQXEDHG-PWRODBHTSA-N 2 0 358.526 3.206 20 0 FGADRP COC(=O)c1ccc(C[NH2+]C(C)(C)CCC[NH+](C)C)c(Br)c1 ZINC000395733429 499562837 /nfs/dbraw/zinc/56/28/37/499562837.db2.gz PEUYNNKNCYTWGA-UHFFFAOYSA-N 2 0 371.319 3.446 20 0 FGADRP COc1ccccc1NC(=O)CN[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000397973520 499565575 /nfs/dbraw/zinc/56/55/75/499565575.db2.gz JOBSXHNRTDCCQI-MJGOQNOKSA-N 2 0 367.493 3.134 20 0 FGADRP C[C@H](C[NH2+][C@@H](C)[C@@H]1C[C@H]1c1ccc(Cl)s1)CN1CC[NH+](C)CC1 ZINC000376079928 499581394 /nfs/dbraw/zinc/58/13/94/499581394.db2.gz IDEROIOWHCGVGT-FXUDXRNXSA-N 2 0 355.979 3.367 20 0 FGADRP C[N@H+]1CC=C(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC000376296059 499598265 /nfs/dbraw/zinc/59/82/65/499598265.db2.gz LMXDLBDRUICIBK-OTWHNJEPSA-N 2 0 363.546 3.406 20 0 FGADRP O[C@@H](C[NH2+]C1CC[NH+](CC2CC2)CC1)Cc1ccccc1C(F)(F)F ZINC000579343633 506151809 /nfs/dbraw/zinc/15/18/09/506151809.db2.gz HAIJMJVYYLTMJV-QGZVFWFLSA-N 2 0 356.432 3.073 20 0 FGADRP C[C@H](NC1CC[NH+](CCc2ccccc2)CC1)c1nnc2n1CCCCC2 ZINC000376522152 499615096 /nfs/dbraw/zinc/61/50/96/499615096.db2.gz TYIYHENJWHBUSO-SFHVURJKSA-N 2 0 367.541 3.362 20 0 FGADRP CCc1nc(CN(C)CCC2CC[NH+](C3CCN(C)CC3)CC2)cs1 ZINC000377269410 499675692 /nfs/dbraw/zinc/67/56/92/499675692.db2.gz XMMJGZHVBIMYMW-UHFFFAOYSA-N 2 0 364.603 3.334 20 0 FGADRP O=C(C1CC[NH+](C2CC2)CC1)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000377462349 499693185 /nfs/dbraw/zinc/69/31/85/499693185.db2.gz DLWPWJRHEXWWJZ-YADHBBJMSA-N 2 0 367.537 3.126 20 0 FGADRP COc1ccc(O)cc1[C@H](C)[NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000377642724 499714624 /nfs/dbraw/zinc/71/46/24/499714624.db2.gz CBRVGBLZQVPNEU-KRWDZBQOSA-N 2 0 361.530 3.002 20 0 FGADRP COc1cc(C[NH+]2CCC3(C[C@@H]3C[N@H+](C)C3CC3)CC2)cc(OC)c1O ZINC000377699966 499722126 /nfs/dbraw/zinc/72/21/26/499722126.db2.gz REQGUVHQLFHNTD-MRXNPFEDSA-N 2 0 360.498 3.106 20 0 FGADRP C[C@H](CC[NH+]1CC[C@@H]([C@@H]2CCOC2)C1)CC[N@@H+]1CC[C@H]([C@@H]2CCOC2)C1 ZINC000411399598 499734599 /nfs/dbraw/zinc/73/45/99/499734599.db2.gz RNTWLEGCNKTJKD-QMCAAQAGSA-N 2 0 364.574 3.120 20 0 FGADRP CC[NH+]1CCC(NC(=O)C[NH2+][C@@H](CC2CCCC2)c2ccccc2)CC1 ZINC000411488438 499746839 /nfs/dbraw/zinc/74/68/39/499746839.db2.gz YJUQQTWZMVFVNV-NRFANRHFSA-N 2 0 357.542 3.498 20 0 FGADRP CC[NH+]1CCC(NC(=O)C[NH2+][C@H](C)c2oc3ccc(OC)cc3c2C)CC1 ZINC000411523593 499751096 /nfs/dbraw/zinc/75/10/96/499751096.db2.gz YVNRDOHRWGUEJZ-OAHLLOKOSA-N 2 0 373.497 3.001 20 0 FGADRP Cc1nccn1C[C@H](C)CNC(=O)c1cccc(C[NH+]2CCCCC2)c1 ZINC000411539355 499752646 /nfs/dbraw/zinc/75/26/46/499752646.db2.gz MFQVWDIOXIDXDZ-QGZVFWFLSA-N 2 0 354.498 3.244 20 0 FGADRP C[NH+]1CCC(C[NH2+]C2CCC(c3ccccc3)CC2)(N2CCOCC2)CC1 ZINC000414180489 499766206 /nfs/dbraw/zinc/76/62/06/499766206.db2.gz BGNWYPUBYGOSQK-UHFFFAOYSA-N 2 0 371.569 3.099 20 0 FGADRP C[C@H](CC(C)(C)c1ccccc1)[NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000414199760 499768171 /nfs/dbraw/zinc/76/81/71/499768171.db2.gz RGOHEGPBGMBTGI-HXUWFJFHSA-N 2 0 373.585 3.129 20 0 FGADRP CC1CC[NH+](Cc2ccc(C[NH2+]Cc3cnc(N(C)C)n3C)cc2)CC1 ZINC000414261533 499772436 /nfs/dbraw/zinc/77/24/36/499772436.db2.gz GZWNZEMWLNADJJ-UHFFFAOYSA-N 2 0 355.530 3.008 20 0 FGADRP C[C@H]1C[C@H](C)C[NH+](Cc2ccc(C[NH2+]Cc3cnc(N(C)C)n3C)cc2)C1 ZINC000414277318 499773679 /nfs/dbraw/zinc/77/36/79/499773679.db2.gz AZPVTAWMNGTMHB-ROUUACIJSA-N 2 0 369.557 3.254 20 0 FGADRP C[C@@H]([NH2+]C[C@H](CO)c1ccc(F)cc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000414286105 499774574 /nfs/dbraw/zinc/77/45/74/499774574.db2.gz ITCDLNYRSATSLX-VQIMIIECSA-N 2 0 360.473 3.193 20 0 FGADRP C[C@H]([NH2+]C[C@@H](CO)c1ccc(F)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000414299579 499775288 /nfs/dbraw/zinc/77/52/88/499775288.db2.gz UHINCXIEHQXSPN-YYWHXJBOSA-N 2 0 356.485 3.402 20 0 FGADRP C[C@@H]1CC(C)(C)C[C@H]1[NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000414330282 499778279 /nfs/dbraw/zinc/77/82/79/499778279.db2.gz BMAAMZPZLKGAAX-OXQOHEQNSA-N 2 0 357.542 3.298 20 0 FGADRP CC[C@@H]1C[C@@]1([NH2+]CC(=O)NC1CC[NH+](C(C)C)CC1)c1cccc(C)c1 ZINC000411689109 499778315 /nfs/dbraw/zinc/77/83/15/499778315.db2.gz JVYBEBXDZGDKTR-GCJKJVERSA-N 2 0 357.542 3.199 20 0 FGADRP CC1=C[C@H](C)C[C@@H](C[NH2+]Cc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)C1 ZINC000414552837 499807674 /nfs/dbraw/zinc/80/76/74/499807674.db2.gz HXPONOWKQLMZFZ-LAUBAEHRSA-N 2 0 369.553 3.466 20 0 FGADRP Cc1cc(C[NH2+]Cc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)ccc1F ZINC000414553631 499807696 /nfs/dbraw/zinc/80/76/96/499807696.db2.gz IVRHOJIHFOYULW-UHFFFAOYSA-N 2 0 369.484 3.121 20 0 FGADRP [NH3+]C[C@H]1CC[N@H+](Cc2ccc(OC(F)(F)[C@H](F)C(F)(F)F)cc2)C1 ZINC000414662128 499818001 /nfs/dbraw/zinc/81/80/01/499818001.db2.gz YQJTVXDWAUVIPA-DGCLKSJQSA-N 2 0 356.310 3.339 20 0 FGADRP [NH3+]CC(=O)N1CCC[C@@H](C[NH+](Cc2cccs2)Cc2cccs2)C1 ZINC000414679192 499819991 /nfs/dbraw/zinc/81/99/91/499819991.db2.gz LKVLYZOIPYVYQB-HNNXBMFYSA-N 2 0 363.552 3.009 20 0 FGADRP C[C@@H]1C[C@H](C[N@@H+]2CCO[C@@H](c3ccc(Br)cc3)C2)CC[NH2+]1 ZINC000414747861 499826298 /nfs/dbraw/zinc/82/62/98/499826298.db2.gz NIFYZVBFJKASFH-CKEIUWERSA-N 2 0 353.304 3.211 20 0 FGADRP C[C@H]1C[C@@H](C[NH+]2CCN(Cc3csc(-c4ccccc4)n3)CC2)CC[NH2+]1 ZINC000414749412 499826506 /nfs/dbraw/zinc/82/65/06/499826506.db2.gz PUBJCKOIZNNKTE-ROUUACIJSA-N 2 0 370.566 3.316 20 0 FGADRP C[C@H]1C[C@H](C[NH+]2CCN(C(=O)c3cc4sccc4s3)CC2)CC[NH2+]1 ZINC000414760030 499827443 /nfs/dbraw/zinc/82/74/43/499827443.db2.gz XMNDYQJFESPYHX-UONOGXRCSA-N 2 0 363.552 3.109 20 0 FGADRP c1cc(COc2ccc(C[N@@H+]3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)cc2)ccn1 ZINC000414773212 499829356 /nfs/dbraw/zinc/82/93/56/499829356.db2.gz DDZLCMLOQIVSHG-LEWJYISDSA-N 2 0 351.494 3.482 20 0 FGADRP C[C@@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[NH2+]C1CC[NH2+]CC1 ZINC000414786037 499831135 /nfs/dbraw/zinc/83/11/35/499831135.db2.gz WGRPGZIZPBGBEY-JTQLQIEISA-N 2 0 363.811 3.418 20 0 FGADRP [NH3+]C[C@H]1C[N@H+](Cc2ccc(-c3ccncc3)cc2F)CC12CCOCC2 ZINC000414789731 499831436 /nfs/dbraw/zinc/83/14/36/499831436.db2.gz YPENBKIILMENFV-IBGZPJMESA-N 2 0 355.457 3.075 20 0 FGADRP COc1cccc(-c2nn(C(C)(C)C)cc2C[NH2+]C[C@@H]2CCC[NH2+]C2)c1 ZINC000414822240 499834746 /nfs/dbraw/zinc/83/47/46/499834746.db2.gz CLHNBLKZFVSPKR-MRXNPFEDSA-N 2 0 356.514 3.403 20 0 FGADRP Brc1ccc(C[NH2+]CC[C@H]2CC[NH2+]C2)cc1Br ZINC000414836534 499835808 /nfs/dbraw/zinc/83/58/08/499835808.db2.gz SVKOATGLKZZADT-SNVBAGLBSA-N 2 0 362.109 3.301 20 0 FGADRP COc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]C[C@@H](C)C[NH3+])cc1 ZINC000414870269 499839832 /nfs/dbraw/zinc/83/98/32/499839832.db2.gz BXJQIOPRSJSKAY-INIZCTEOSA-N 2 0 350.466 3.232 20 0 FGADRP C[C@@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]C[C@]1(C)CCC[NH2+]C1 ZINC000414919526 499844651 /nfs/dbraw/zinc/84/46/51/499844651.db2.gz XGLQGKHTABGZTR-HNAYVOBHSA-N 2 0 351.922 3.056 20 0 FGADRP C[C@@H]1C[C@@H]([NH2+]C2CCN(Cc3ccccc3Br)CC2)CC[NH2+]1 ZINC000414940938 499846930 /nfs/dbraw/zinc/84/69/30/499846930.db2.gz BZYWEZCPDVCIHQ-PBHICJAKSA-N 2 0 366.347 3.144 20 0 FGADRP Brc1ccc(-n2cc(C[NH2+]CCC[C@@H]3CCC[NH2+]3)cn2)cc1 ZINC000414960227 499849002 /nfs/dbraw/zinc/84/90/02/499849002.db2.gz AILWDGCIOAHSQS-MRXNPFEDSA-N 2 0 363.303 3.257 20 0 FGADRP C[C@H]1CCCN(C(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)[C@@H]1C[NH3+] ZINC000414974021 499850542 /nfs/dbraw/zinc/85/05/42/499850542.db2.gz JQEDPOIYFGWHMO-FXAWDEMLSA-N 2 0 358.530 3.306 20 0 FGADRP [NH3+][C@@H]1CCC[C@@H](C[NH2+]Cc2cc(Br)c3c(c2)OCCCO3)C1 ZINC000414987294 499851752 /nfs/dbraw/zinc/85/17/52/499851752.db2.gz DLHCIGGTVNPGPU-TZMCWYRMSA-N 2 0 369.303 3.218 20 0 FGADRP Cc1cc(NC(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)ccc1C[NH+](C)C ZINC000412411462 499852461 /nfs/dbraw/zinc/85/24/61/499852461.db2.gz BOTXCJOKSCTSNK-LJQANCHMSA-N 2 0 361.555 3.213 20 0 FGADRP Cc1cc(Br)cn2c(C[NH2+]C[C@H]3CCC[C@@H]([NH3+])C3)cnc12 ZINC000414993277 499852496 /nfs/dbraw/zinc/85/24/96/499852496.db2.gz CJXSPXWJQJBEOM-GXTWGEPZSA-N 2 0 351.292 3.012 20 0 FGADRP C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+]C[C@@H]1CCC[C@H]([NH3+])C1 ZINC000414994895 499852848 /nfs/dbraw/zinc/85/28/48/499852848.db2.gz DZMFVIOBVZEINO-MCIONIFRSA-N 2 0 373.419 3.409 20 0 FGADRP C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+]C[C@@H]1CCC[C@H]([NH3+])C1 ZINC000415003980 499854136 /nfs/dbraw/zinc/85/41/36/499854136.db2.gz NOGQODFYESDIAA-NFAWXSAZSA-N 2 0 368.319 3.273 20 0 FGADRP Clc1ccc(OC[C@@H]2CCCO2)c(C[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)c1 ZINC000415013783 499855072 /nfs/dbraw/zinc/85/50/72/499855072.db2.gz VSRYEDCBJVFGMZ-GBESFXJTSA-N 2 0 364.917 3.376 20 0 FGADRP C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@@H](C)CCCC[NH3+] ZINC000415013799 499855172 /nfs/dbraw/zinc/85/51/72/499855172.db2.gz KYZXDEZHXBEDTM-QWHCGFSZSA-N 2 0 356.308 3.273 20 0 FGADRP [NH3+]C[C@H]1CC[C@H](C[NH2+]Cc2cc(Br)cc3c2OCC3)CC1 ZINC000415021732 499855571 /nfs/dbraw/zinc/85/55/71/499855571.db2.gz HZNZZONQKGYTKB-JOCQHMNTSA-N 2 0 353.304 3.239 20 0 FGADRP Cn1c2ccc(C(F)(F)F)cc2nc1C[NH2+]C[C@H]1CC[C@H](C[NH3+])CC1 ZINC000415023342 499855916 /nfs/dbraw/zinc/85/59/16/499855916.db2.gz KPSRIPMDVLSWDQ-JOCQHMNTSA-N 2 0 354.420 3.447 20 0 FGADRP [NH3+]C[C@@H]1CC[C@H]([NH2+]Cc2ccc(Br)c(Br)c2)C1 ZINC000415033142 499856442 /nfs/dbraw/zinc/85/64/42/499856442.db2.gz IPWSXKXDUJLKHF-KOLCDFICSA-N 2 0 362.109 3.429 20 0 FGADRP CCCOc1c(Br)cc(C[NH2+][C@H]2CC[C@@H](C[NH3+])C2)cc1OC ZINC000415038877 499856992 /nfs/dbraw/zinc/85/69/92/499856992.db2.gz NTSFZFVVKKAGPN-OCCSQVGLSA-N 2 0 371.319 3.464 20 0 FGADRP CC(C)[N@@H+]1CCc2nc(CN[C@@H](CCC[NH3+])c3ccccc3)sc2C1 ZINC000415048880 499857995 /nfs/dbraw/zinc/85/79/95/499857995.db2.gz GKOLJUTXGQURLU-KRWDZBQOSA-N 2 0 358.555 3.479 20 0 FGADRP Cc1cc(Br)c(C[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)s1 ZINC000415056294 499859063 /nfs/dbraw/zinc/85/90/63/499859063.db2.gz PTWWYHQXBGLNRY-UHFFFAOYSA-N 2 0 372.376 3.125 20 0 FGADRP c1cc(-c2nc(C[NH2+]C3CCC(N4CC[NH2+]CC4)CC3)cs2)cs1 ZINC000415060752 499859668 /nfs/dbraw/zinc/85/96/68/499859668.db2.gz XLJNPJMCGIITTF-UHFFFAOYSA-N 2 0 362.568 3.178 20 0 FGADRP [NH3+][C@H]1CCCO[C@H]1C1CC[NH+](Cc2cccc(Br)c2)CC1 ZINC000415122413 499866448 /nfs/dbraw/zinc/86/64/48/499866448.db2.gz IFZJZEVKBRGIRY-IRXDYDNUSA-N 2 0 353.304 3.167 20 0 FGADRP [NH3+][C@H]1CCO[C@H](C2CC[NH+](Cc3ccc(OCC(F)(F)F)cc3)CC2)C1 ZINC000415126051 499867176 /nfs/dbraw/zinc/86/71/76/499867176.db2.gz OVCDFSAFVAYXRQ-WMZOPIPTSA-N 2 0 372.431 3.346 20 0 FGADRP CCOc1c(Br)cc(CN2CC[C@@H](C)[C@H](C[NH3+])C2)cc1OC ZINC000415128504 499867467 /nfs/dbraw/zinc/86/74/67/499867467.db2.gz ODDUUIWOKVSFMZ-TZMCWYRMSA-N 2 0 371.319 3.273 20 0 FGADRP CN(c1ccccc1CN1C[C@H]([NH3+])Cc2ccccc21)C1CC[NH+](C)CC1 ZINC000415137861 499869250 /nfs/dbraw/zinc/86/92/50/499869250.db2.gz NZQKWUJWMGZABU-HXUWFJFHSA-N 2 0 364.537 3.107 20 0 FGADRP Cc1cc(C[N@@H+]2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)sc1Br ZINC000415142731 499869838 /nfs/dbraw/zinc/86/98/38/499869838.db2.gz RQYPYYMREIZUPS-KGLIPLIRSA-N 2 0 371.344 3.019 20 0 FGADRP C[C@@H]1CCCN(C(=O)Nc2ccc(OCC[NH+]3CCCCC3)cc2)[C@@H]1C[NH3+] ZINC000415304738 499885072 /nfs/dbraw/zinc/88/50/72/499885072.db2.gz GEXTWQXZFDIYHE-YLJYHZDGSA-N 2 0 374.529 3.142 20 0 FGADRP CC1CC[NH+](CCc2cccc(NC(=O)N3CC[C@@H]4[NH2+]CC[C@H]4C3)c2)CC1 ZINC000415391629 499890877 /nfs/dbraw/zinc/89/08/77/499890877.db2.gz MBAZLMDDBQUHAL-FPOVZHCZSA-N 2 0 370.541 3.177 20 0 FGADRP CC[NH+](CC)Cc1ccc(NC(=O)C(=O)Nc2ccc([C@@H](C)[NH3+])cc2)cc1 ZINC000415463548 499894674 /nfs/dbraw/zinc/89/46/74/499894674.db2.gz KFNNFBHJNSRBBL-OAHLLOKOSA-N 2 0 368.481 3.125 20 0 FGADRP CCc1ccccc1[C@@H]([NH3+])CNC(=O)Nc1ccccc1CC[NH+](C)C ZINC000415560512 499902112 /nfs/dbraw/zinc/90/21/12/499902112.db2.gz FXIAYXPDBRKRQZ-IBGZPJMESA-N 2 0 354.498 3.175 20 0 FGADRP C[NH+](C)[C@@H]1CCc2cc(NC(=O)N3CCC([C@H]4[NH2+]CC4(C)C)CC3)ccc21 ZINC000415796320 499919233 /nfs/dbraw/zinc/91/92/33/499919233.db2.gz XWOYOYXSBGCSED-WOJBJXKFSA-N 2 0 370.541 3.477 20 0 FGADRP C[NH2+]Cc1ccccc1NC(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000415897609 499925685 /nfs/dbraw/zinc/92/56/85/499925685.db2.gz GHJOAKNYOQBSEG-UHFFFAOYSA-N 2 0 366.509 3.440 20 0 FGADRP C[NH2+]Cc1cccc(NC(=O)NCC(C)(C)[N@@H+]2CCc3ccccc3C2)c1 ZINC000415915993 499927993 /nfs/dbraw/zinc/92/79/93/499927993.db2.gz GOQKACRJMFLLQX-UHFFFAOYSA-N 2 0 366.509 3.364 20 0 FGADRP CC[NH2+]Cc1cccc(NC(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)c1 ZINC000415933264 499930083 /nfs/dbraw/zinc/93/00/83/499930083.db2.gz NVOZHVBHNMZWFP-FQEVSTJZSA-N 2 0 354.498 3.091 20 0 FGADRP Cc1ccccc1[C@@H]([C@@H](C)NC(=O)Nc1ccc(OCC[NH3+])cc1)[NH+](C)C ZINC000415945234 499931674 /nfs/dbraw/zinc/93/16/74/499931674.db2.gz KPTFYLUGISJMOH-OXQOHEQNSA-N 2 0 370.497 3.145 20 0 FGADRP [NH3+]Cc1ccc(NC(=O)NCC2CC[NH+](Cc3cccs3)CC2)cc1 ZINC000415967242 499935037 /nfs/dbraw/zinc/93/50/37/499935037.db2.gz BHBVKFTZNCCODL-UHFFFAOYSA-N 2 0 358.511 3.241 20 0 FGADRP CC1(C)C[N@@H+](C2(CNC(=O)Nc3ccc(C[NH3+])cc3)CCCCC2)CCO1 ZINC000415980623 499936929 /nfs/dbraw/zinc/93/69/29/499936929.db2.gz TTYOSJFEKWPAAP-UHFFFAOYSA-N 2 0 374.529 3.081 20 0 FGADRP C[NH2+]Cc1ccc(NC(=O)N[C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000415984106 499937476 /nfs/dbraw/zinc/93/74/76/499937476.db2.gz OPUQBKZVZIPQPN-YLJYHZDGSA-N 2 0 366.509 3.438 20 0 FGADRP C[NH2+]Cc1ccc(NC(=O)N[C@@H](C[NH+](C)C)c2ccc(Cl)cc2)cc1 ZINC000415987095 499937745 /nfs/dbraw/zinc/93/77/45/499937745.db2.gz WQRUMHFGNXSHPW-SFHVURJKSA-N 2 0 360.889 3.484 20 0 FGADRP C[C@@H]1CCN(C(=O)Nc2ccc3c(c2)C[NH2+]C3)CC[N@@H+]1Cc1ccccc1 ZINC000415993617 499938593 /nfs/dbraw/zinc/93/85/93/499938593.db2.gz FILDIPAKYVRYKO-QGZVFWFLSA-N 2 0 364.493 3.418 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)Nc2ccc3c(c2)C[NH2+]C3)C1 ZINC000415996079 499939025 /nfs/dbraw/zinc/93/90/25/499939025.db2.gz LYNIBBLNZXNYCT-IAGOWNOFSA-N 2 0 356.514 3.408 20 0 FGADRP C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)CC[NH+]2CCc3ccccc3C2)C1 ZINC000416146357 499958186 /nfs/dbraw/zinc/95/81/86/499958186.db2.gz UIXQIIXIEMRTHB-XQBPLPMBSA-N 2 0 369.553 3.299 20 0 FGADRP C[NH+](C)Cc1ccc(C(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)cc1 ZINC000425014123 499994193 /nfs/dbraw/zinc/99/41/93/499994193.db2.gz SHMJAWYJGNNDGJ-FCHUYYIVSA-N 2 0 363.505 3.095 20 0 FGADRP CC(C)[C@@H]([NH3+])CNC(=O)NCc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000417215132 500007197 /nfs/dbraw/zinc/00/71/97/500007197.db2.gz HYKKSZXIZSWIFZ-FQEVSTJZSA-N 2 0 360.546 3.234 20 0 FGADRP CC1CC[NH+]([C@@H](CNC(=O)N(C)CC(C)(C)C[NH3+])c2ccccc2)CC1 ZINC000417214092 500007228 /nfs/dbraw/zinc/00/72/28/500007228.db2.gz JZWNBODYQMREOI-IBGZPJMESA-N 2 0 360.546 3.086 20 0 FGADRP COc1cc(Br)c(C[NH2+]C2CCC([NH+](C)C)CC2)cc1O ZINC000421370478 500030339 /nfs/dbraw/zinc/03/03/39/500030339.db2.gz JHZQZPZEALILEO-UHFFFAOYSA-N 2 0 357.292 3.126 20 0 FGADRP CCc1ccccc1[C@H]([NH3+])CNC(=O)NC[C@H](c1ccco1)[NH+](CC)CC ZINC000417310167 500036677 /nfs/dbraw/zinc/03/66/77/500036677.db2.gz JOIGKBROYMNFJI-RTBURBONSA-N 2 0 372.513 3.224 20 0 FGADRP [NH3+]CCc1ccccc1C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000570459470 506172414 /nfs/dbraw/zinc/17/24/14/506172414.db2.gz ZDQXYUFKFTXGBR-UHFFFAOYSA-N 2 0 351.494 3.469 20 0 FGADRP C[NH+](C)[C@@H](CNC(=O)N[C@@H](CCC[NH3+])c1ccccc1)c1cccs1 ZINC000416448063 500045528 /nfs/dbraw/zinc/04/55/28/500045528.db2.gz SPPBCOQCIQVRNN-IRXDYDNUSA-N 2 0 360.527 3.130 20 0 FGADRP C[C@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)[C@@H]1C[C@H]1c1cccs1 ZINC000417348791 500046017 /nfs/dbraw/zinc/04/60/17/500046017.db2.gz ZFXHEUCYBILSTJ-RYQLBKOJSA-N 2 0 356.539 3.177 20 0 FGADRP O=C(NCC[C@H]1CCC[NH2+]1)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000417353051 500046940 /nfs/dbraw/zinc/04/69/40/500046940.db2.gz HWIWNTLJANIDOZ-HXUWFJFHSA-N 2 0 358.530 3.004 20 0 FGADRP CC[NH2+]CC1CCN(C(=O)NC[C@@H](c2ccc(C)cc2)[NH+]2CCCC2)CC1 ZINC000417361355 500049426 /nfs/dbraw/zinc/04/94/26/500049426.db2.gz YTLSUQMFAAQWAW-NRFANRHFSA-N 2 0 372.557 3.163 20 0 FGADRP C[C@@H]([NH2+]CC(C)(C)C1(O)CCOCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000417388850 500057419 /nfs/dbraw/zinc/05/74/19/500057419.db2.gz WNAVUCKDDXZRJZ-QUCCMNQESA-N 2 0 360.542 3.054 20 0 FGADRP C[NH+](CC[C@@H]1CCCO1)Cc1cncc(C[N@H+](C)CC[C@@H]2CCCO2)c1 ZINC000579435873 506173476 /nfs/dbraw/zinc/17/34/76/506173476.db2.gz KWBLWHMEGYEWST-SFTDATJTSA-N 2 0 361.530 3.083 20 0 FGADRP Cc1ccc([C@H](CNC(=O)NCc2ccc([C@H](C)[NH3+])cc2)[NH+]2CCCC2)o1 ZINC000417414677 500066866 /nfs/dbraw/zinc/06/68/66/500066866.db2.gz DJJRZJFPPXPDRZ-LPHOPBHVSA-N 2 0 370.497 3.244 20 0 FGADRP CC[NH+](CC)[C@@H](C(=O)NCC[C@H]1CC[NH2+]C1)c1cccc(C(F)(F)F)c1 ZINC000429446428 500079794 /nfs/dbraw/zinc/07/97/94/500079794.db2.gz OHFREGMZTIWNMC-RHSMWYFYSA-N 2 0 371.447 3.204 20 0 FGADRP CC[NH+](CC)[C@H](C(=O)NCC[C@@H]1CC[NH2+]C1)c1cccc(C(F)(F)F)c1 ZINC000429446432 500080066 /nfs/dbraw/zinc/08/00/66/500080066.db2.gz OHFREGMZTIWNMC-YOEHRIQHSA-N 2 0 371.447 3.204 20 0 FGADRP CC[NH+](CC)CCOc1ccc(C(=O)NCc2ccc([C@H](C)[NH3+])cc2)cc1 ZINC000429510895 500090344 /nfs/dbraw/zinc/09/03/44/500090344.db2.gz JNOLMDOLSLCAMF-KRWDZBQOSA-N 2 0 369.509 3.357 20 0 FGADRP CC[N@H+](CCC1CC[NH+]([C@H]2CCN(C(C)(C)C)C2=O)CC1)CC(C)C ZINC000425463258 500112503 /nfs/dbraw/zinc/11/25/03/500112503.db2.gz VXUZQQYCWTVWQW-IBGZPJMESA-N 2 0 351.579 3.466 20 0 FGADRP C[C@@H]1C[NH+](CCC2CC[NH+](CCN(C)Cc3ccccc3)CC2)C[C@@H](C)O1 ZINC000429686531 500124097 /nfs/dbraw/zinc/12/40/97/500124097.db2.gz ZPPZNSFGOQLHSZ-NHCUHLMSSA-N 2 0 373.585 3.330 20 0 FGADRP O=C(NCCC1=CC[NH2+]CC1)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000417625361 500128196 /nfs/dbraw/zinc/12/81/96/500128196.db2.gz PDSUIETYKGFVAP-UHFFFAOYSA-N 2 0 370.541 3.172 20 0 FGADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1cn(-c2ccc(Cl)cc2Cl)nn1 ZINC000579449462 506178058 /nfs/dbraw/zinc/17/80/58/506178058.db2.gz ZGSGDGUIFYMDFM-RPBQFNSTSA-N 2 0 366.296 3.180 20 0 FGADRP C[N@H+](CCCNC(=O)N1CCCC[C@H]1[C@@H]1CCC[NH2+]C1)Cc1ccccc1 ZINC000416874315 500145072 /nfs/dbraw/zinc/14/50/72/500145072.db2.gz PIERSMKDQORVGZ-RTWAWAEBSA-N 2 0 372.557 3.072 20 0 FGADRP CC[NH+]1CCN(CCC[NH2+][C@@H](C)c2csc(-c3ccccc3)n2)CC1 ZINC000414073669 500145465 /nfs/dbraw/zinc/14/54/65/500145465.db2.gz WFWLVSAXFOSDLC-KRWDZBQOSA-N 2 0 358.555 3.488 20 0 FGADRP CC[NH+](CC)Cc1ccc(CNC(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)cc1 ZINC000416893879 500149185 /nfs/dbraw/zinc/14/91/85/500149185.db2.gz XYJJAVRHDKGEEE-NRFANRHFSA-N 2 0 372.557 3.060 20 0 FGADRP [NH3+][C@H]1CCC[C@@H](CNC(=O)NCc2ccccc2C[NH+]2CCCCCC2)C1 ZINC000579452400 506178758 /nfs/dbraw/zinc/17/87/58/506178758.db2.gz BOWOHYSZKONEIL-NQIIRXRSSA-N 2 0 372.557 3.379 20 0 FGADRP O=C(NCCC[C@H]1CCC[NH2+]1)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000416897301 500150148 /nfs/dbraw/zinc/15/01/48/500150148.db2.gz XUHPBKOKKNUGJV-HXUWFJFHSA-N 2 0 358.530 3.004 20 0 FGADRP CC1(C)C[NH2+][C@H]1C1CCN(C(=O)NCCCCC[NH+]2CCCCC2)CC1 ZINC000417695862 500151373 /nfs/dbraw/zinc/15/13/73/500151373.db2.gz BBPNLOPYJHGAFM-IBGZPJMESA-N 2 0 364.578 3.062 20 0 FGADRP C[C@H]([NH2+]CCc1ccc(OCC[N@@H+]2C[C@H](C)[C@H](C)C2)cc1)c1ccn(C)n1 ZINC000414094196 500152021 /nfs/dbraw/zinc/15/20/21/500152021.db2.gz GIMJCMJJLMTCAF-OTWHNJEPSA-N 2 0 370.541 3.280 20 0 FGADRP C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)N2CCC([NH3+])CC2)cc1 ZINC000416945493 500163700 /nfs/dbraw/zinc/16/37/00/500163700.db2.gz ABPQSPJJBDAARI-UHFFFAOYSA-N 2 0 366.509 3.048 20 0 FGADRP C[C@@H]([NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1)c1ccncc1Cl ZINC000421853468 500164090 /nfs/dbraw/zinc/16/40/90/500164090.db2.gz JJOARJSIGDTSSI-MRXNPFEDSA-N 2 0 359.901 3.413 20 0 FGADRP C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)NCCC[C@@H]2CCC[NH2+]2)C1 ZINC000416966944 500168802 /nfs/dbraw/zinc/16/88/02/500168802.db2.gz GAIJTGULSHUZNJ-NQIIRXRSSA-N 2 0 372.557 3.250 20 0 FGADRP C[C@@H]1CCN(C(=O)NCc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)C[C@@H]1C[NH3+] ZINC000416975495 500172937 /nfs/dbraw/zinc/17/29/37/500172937.db2.gz MVNXMUMIHQZPBB-LQWHRVPQSA-N 2 0 372.557 3.187 20 0 FGADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)NCCC2=CC[NH2+]CC2)cc1 ZINC000416977875 500173290 /nfs/dbraw/zinc/17/32/90/500173290.db2.gz QEHWFYBGJRHRRH-SFHVURJKSA-N 2 0 370.541 3.170 20 0 FGADRP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)N3CC[C@](C)(C[NH3+])C3)cc2)C1 ZINC000416992890 500178010 /nfs/dbraw/zinc/17/80/10/500178010.db2.gz PMWHFPLEOWHRKS-JBYIUTFZSA-N 2 0 372.557 3.045 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)N[C@@H]3CC[NH2+][C@H](C)C3)cc2)C1 ZINC000416993433 500178624 /nfs/dbraw/zinc/17/86/24/500178624.db2.gz QFYYOQQOODTBAJ-BMQTXXJKSA-N 2 0 372.557 3.104 20 0 FGADRP C[NH+](C)[C@H](CNC(=O)N1CCCC[C@H]1[C@@H]1CCC[NH2+]C1)C1CCCCC1 ZINC000417008038 500182792 /nfs/dbraw/zinc/18/27/92/500182792.db2.gz IBXCVQHNRFSWHR-HSALFYBXSA-N 2 0 364.578 3.061 20 0 FGADRP CC[NH+](CC)CCOc1ccc(C[NH2+][C@@H]2COC(C)(C)C2)cc1OC ZINC000417863759 500186924 /nfs/dbraw/zinc/18/69/24/500186924.db2.gz AYDHTRVKMXHUEM-KRWDZBQOSA-N 2 0 350.503 3.073 20 0 FGADRP CCCC[N@H+](CC)Cc1cccc(CNC(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)c1 ZINC000417874417 500189277 /nfs/dbraw/zinc/18/92/77/500189277.db2.gz KDYHKPABIZCBKW-YLJYHZDGSA-N 2 0 360.546 3.235 20 0 FGADRP CC(C)C[C@H](CNC(=O)NC1CCC([NH3+])CC1)[NH2+][C@@H](C)c1ccccc1 ZINC000417876843 500189917 /nfs/dbraw/zinc/18/99/17/500189917.db2.gz PIAZJFXGNPLBNQ-CMTQZCSUSA-N 2 0 360.546 3.321 20 0 FGADRP CCCC[N@H+](CC)Cc1cccc(CNC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000417887145 500192575 /nfs/dbraw/zinc/19/25/75/500192575.db2.gz WRGGXEHGVIIEEP-NHCUHLMSSA-N 2 0 372.557 3.060 20 0 FGADRP CC1=C[C@@H](C)C[N@@H+]([C@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000430260970 500217409 /nfs/dbraw/zinc/21/74/09/500217409.db2.gz IBCSBPKRLNGMRH-IEBWSBKVSA-N 2 0 355.526 3.054 20 0 FGADRP CCC([NH3+])(CC)CNC(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000418034281 500217667 /nfs/dbraw/zinc/21/76/67/500217667.db2.gz OFENHFRZKWBVJG-HNNXBMFYSA-N 2 0 374.451 3.125 20 0 FGADRP C[C@H](CCCC[NH3+])NC(=O)NC[C@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000418042762 500219319 /nfs/dbraw/zinc/21/93/19/500219319.db2.gz YDPSRROURFFRTA-CZUORRHYSA-N 2 0 374.451 3.125 20 0 FGADRP Clc1cccc(CN(CCn2ccnc2)Cc2cn3cccnc3n2)c1 ZINC000430303617 500224383 /nfs/dbraw/zinc/22/43/83/500224383.db2.gz TXENVBJUDXOOKF-UHFFFAOYSA-N 2 0 366.856 3.282 20 0 FGADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](Cc1cccnc1)c1cccc(Cl)c1 ZINC000426012390 500225545 /nfs/dbraw/zinc/22/55/45/500225545.db2.gz DOXCBYRZLVAOEV-UWJYYQICSA-N 2 0 372.944 3.244 20 0 FGADRP C[NH+]1CCC(O)(C[NH2+][C@H](Cc2cccnc2)c2cccc(Cl)c2)CC1 ZINC000426033325 500228960 /nfs/dbraw/zinc/22/89/60/500228960.db2.gz FAJPPQKYJUVSGY-LJQANCHMSA-N 2 0 359.901 3.065 20 0 FGADRP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000418148684 500237851 /nfs/dbraw/zinc/23/78/51/500237851.db2.gz ACQUOAWRGBBRAP-IHPCNDPISA-N 2 0 372.557 3.198 20 0 FGADRP CN(C(=O)NC1CCC([NH+](C)C)CC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000422233253 500238436 /nfs/dbraw/zinc/23/84/36/500238436.db2.gz CGNALHBEWXTSAT-UHFFFAOYSA-N 2 0 372.557 3.165 20 0 FGADRP C[C@H](CCCC[NH3+])NC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000418166072 500240431 /nfs/dbraw/zinc/24/04/31/500240431.db2.gz YWFVYJCAIZVTTM-IEBWSBKVSA-N 2 0 360.546 3.104 20 0 FGADRP C[C@H](NC(=O)N(CCC[NH3+])CC1CCCC1)[C@@H](c1ccccc1)[NH+](C)C ZINC000418175987 500242817 /nfs/dbraw/zinc/24/28/17/500242817.db2.gz GNDRHSKTYGPAAA-PXNSSMCTSA-N 2 0 360.546 3.228 20 0 FGADRP C[C@@H](NC(=O)NCc1ccc([C@H](C)[NH3+])cc1)[C@H](c1ccccc1)[NH+](C)C ZINC000418188929 500245937 /nfs/dbraw/zinc/24/59/37/500245937.db2.gz UYIAZZAJSVDYKA-RZQQEMMASA-N 2 0 354.498 3.197 20 0 FGADRP CC(C)Cc1ccc([C@H](CNC(=O)N2CCC[C@H](CC[NH3+])C2)[NH+](C)C)cc1 ZINC000418199544 500248334 /nfs/dbraw/zinc/24/83/34/500248334.db2.gz XBLWUISNRNIRDN-CTNGQTDRSA-N 2 0 374.573 3.258 20 0 FGADRP CC[NH2+]CC1CC[NH+](CC(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)CC1 ZINC000430582202 500257962 /nfs/dbraw/zinc/25/79/62/500257962.db2.gz JRIOXNLTXSRMDB-ZDUSSCGKSA-N 2 0 372.340 3.492 20 0 FGADRP CC(C)(C)c1ccc([C@H]2CCCN2C(=O)C[NH+]2CCC(C[NH3+])CC2)cc1 ZINC000430643000 500265417 /nfs/dbraw/zinc/26/54/17/500265417.db2.gz WKFMNMCQTVETSN-HXUWFJFHSA-N 2 0 357.542 3.318 20 0 FGADRP CC[N@H+](CCC1CCN(C(=O)N[C@@H](C)[C@@H]2CCC[NH2+]C2)CC1)CC(C)C ZINC000418348042 500266352 /nfs/dbraw/zinc/26/63/52/500266352.db2.gz QYDAMKDHVANDLZ-AZUAARDMSA-N 2 0 366.594 3.164 20 0 FGADRP CC(C)c1ccc([C@H]([NH3+])CNC(=O)N(CCC[NH3+])Cc2ccccc2)cc1 ZINC000418355623 500267786 /nfs/dbraw/zinc/26/77/86/500267786.db2.gz PNAUXFVSSUPUQD-OAQYLSRUSA-N 2 0 368.525 3.370 20 0 FGADRP CC[N@H+](CCC1CCN(C(=O)NC2CCC([NH3+])CC2)CC1)CC(C)C ZINC000418385026 500270686 /nfs/dbraw/zinc/27/06/86/500270686.db2.gz LAACZQMLIZACMH-UHFFFAOYSA-N 2 0 352.567 3.046 20 0 FGADRP C[C@@H]([NH3+])c1ccc(CNC(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000418488875 500282678 /nfs/dbraw/zinc/28/26/78/500282678.db2.gz KYIREYFDWVHAGK-UTKZUKDTSA-N 2 0 366.509 3.122 20 0 FGADRP c1ccc(C[NH+]2CCCCCC2)c(C[NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000422720415 500289715 /nfs/dbraw/zinc/28/97/15/500289715.db2.gz ZKSHFBICUSPPRT-XPWALMASSA-N 3 0 371.569 3.309 20 0 FGADRP CCOC(=O)C1([C@H](C)[NH2+]Cc2ccc3[nH]c(C)c(C)c3c2)CC[NH2+]CC1 ZINC000422725486 500289782 /nfs/dbraw/zinc/28/97/82/500289782.db2.gz YBNXXKCGQFWREK-INIZCTEOSA-N 2 0 357.498 3.196 20 0 FGADRP C[NH+](C)CCCOc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)cc1 ZINC000422720934 500290062 /nfs/dbraw/zinc/29/00/62/500290062.db2.gz UFZCABQTIHDNFG-BHIFYINESA-N 3 0 359.558 3.418 20 0 FGADRP C[C@@H](C[C@H]1COCCN1)[NH2+]Cc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000422734524 500291771 /nfs/dbraw/zinc/29/17/71/500291771.db2.gz TYSFNTAMXZZPDZ-RXVVDRJESA-N 2 0 359.558 3.308 20 0 FGADRP C[C@@H]1Cc2ccccc2N1CC[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422752933 500293899 /nfs/dbraw/zinc/29/38/99/500293899.db2.gz BMSKUPDMCLBTBE-MONBJTKQSA-N 2 0 363.505 3.283 20 0 FGADRP COc1ccc([C@H](C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)N2CCCC2)cc1 ZINC000422758145 500294265 /nfs/dbraw/zinc/29/42/65/500294265.db2.gz NOLMECKWILWVEQ-YSFYHYPLSA-N 2 0 357.542 3.342 20 0 FGADRP COc1ccc([C@H](CN[C@H](Cc2ccccc2)[C@@H](C)[NH3+])[NH+]2CCCC2)cc1 ZINC000422754193 500294566 /nfs/dbraw/zinc/29/45/66/500294566.db2.gz JFUUWQHHLFMRCF-YSZBQJHXSA-N 2 0 367.537 3.380 20 0 FGADRP CCOC(=O)C1([C@H](C)[NH2+]CC(C)(C)c2cccc(F)c2)CC[NH2+]CC1 ZINC000422766106 500295029 /nfs/dbraw/zinc/29/50/29/500295029.db2.gz ROUXPVGSZARIAS-HNNXBMFYSA-N 2 0 350.478 3.014 20 0 FGADRP C[C@H]([NH2+]C1(CN[C@H](C2CC2)[C@@H]2C[NH2+]CCO2)CCCC1)c1ccccc1 ZINC000422762252 500295063 /nfs/dbraw/zinc/29/50/63/500295063.db2.gz MKIQSFOGPDRELL-DZFGPLHGSA-N 2 0 357.542 3.007 20 0 FGADRP C[C@@H]1CCCN(C(C)(C)C[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000422771239 500295788 /nfs/dbraw/zinc/29/57/88/500295788.db2.gz XFUGYHHDQVVLAZ-SFGWALBWSA-N 2 0 357.542 3.342 20 0 FGADRP C[NH+](C)[C@H](CNC(=O)c1ccc2c(ccn2CCC[NH3+])c1)c1ccccc1 ZINC000430849924 500296036 /nfs/dbraw/zinc/29/60/36/500296036.db2.gz ITLGOECBGWDUGW-OAQYLSRUSA-N 2 0 364.493 3.023 20 0 FGADRP C[C@@H](CCCC[NH3+])[NH2+]Cc1cc(C(F)(F)F)ccc1N1CC[NH+](C)CC1 ZINC000422781288 500296739 /nfs/dbraw/zinc/29/67/39/500296739.db2.gz LKVCOGYYVBNSPF-HNNXBMFYSA-N 3 0 372.479 3.064 20 0 FGADRP Cc1ccc([C@H](C[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)N(C)C)cc1 ZINC000422786362 500297396 /nfs/dbraw/zinc/29/73/96/500297396.db2.gz QGXPQEIJDMTEHV-QNWVGRARSA-N 2 0 365.521 3.443 20 0 FGADRP C[C@@H]([NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1)C1C[NH2+]C1 ZINC000422788422 500297446 /nfs/dbraw/zinc/29/74/46/500297446.db2.gz NKKKHBQAXHCDKW-OAHLLOKOSA-N 2 0 350.441 3.376 20 0 FGADRP CCOC(=O)C1([C@H](C)[NH2+]Cc2ccccc2C(F)(F)F)CC[NH2+]CC1 ZINC000422782899 500297690 /nfs/dbraw/zinc/29/76/90/500297690.db2.gz NQPIRNHVJWPMMR-ZDUSSCGKSA-N 2 0 358.404 3.116 20 0 FGADRP C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)N[C@H](C[NH3+])C2CCCC2)CC1 ZINC000418627533 500297780 /nfs/dbraw/zinc/29/77/80/500297780.db2.gz UTDKLMLWZKSZMM-OAQYLSRUSA-N 2 0 372.557 3.058 20 0 FGADRP CCOC(=O)C1([C@H](C)[NH2+][C@@H](c2ccc(OC)cc2)C(C)C)CC[NH2+]CC1 ZINC000422793256 500298229 /nfs/dbraw/zinc/29/82/29/500298229.db2.gz WUJPOCOMCZOLMT-QFBILLFUSA-N 2 0 362.514 3.303 20 0 FGADRP CCOC(=O)C1([C@H](C)[NH2+]C[C@@H](C)Oc2ccc(Cl)cc2)CC[NH2+]CC1 ZINC000422797452 500299031 /nfs/dbraw/zinc/29/90/31/500299031.db2.gz MPCRJGMGIQNFPI-CABCVRRESA-N 2 0 368.905 3.018 20 0 FGADRP Cc1cccc(N2CCN(CCC[NH2+][C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)CC2)c1 ZINC000422801439 500300001 /nfs/dbraw/zinc/30/00/01/500300001.db2.gz BXOCIZOHCNIGJN-ZLNRFVROSA-N 2 0 370.585 3.017 20 0 FGADRP CCOC(=O)C1([C@H](C)[NH2+]Cc2coc(-c3ccc(C)cc3)n2)CC[NH2+]CC1 ZINC000422807491 500300547 /nfs/dbraw/zinc/30/05/47/500300547.db2.gz JTDOSDDFPXAYNU-INIZCTEOSA-N 2 0 371.481 3.061 20 0 FGADRP c1ccc(N2CCN(CCC[NH2+][C@@H]3CCC[C@H]3[C@@H]3CCCC[NH2+]3)CC2)cc1 ZINC000422814789 500301452 /nfs/dbraw/zinc/30/14/52/500301452.db2.gz WDOPUYQWVVHELW-RJGXRXQPSA-N 2 0 370.585 3.099 20 0 FGADRP C[C@@H]([NH2+]CCCOC1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCCC[NH2+]1 ZINC000422820314 500301806 /nfs/dbraw/zinc/30/18/06/500301806.db2.gz PXEMRNALSKGRFO-KNQAVFIVSA-N 3 0 359.558 3.178 20 0 FGADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCC1CCN(CC(F)(F)F)CC1 ZINC000422820473 500301907 /nfs/dbraw/zinc/30/19/07/500301907.db2.gz QTYBRKWMHHNRLC-MAUKXSAKSA-N 2 0 357.464 3.199 20 0 FGADRP C[NH+](C)CCN(Cc1cccs1)C(=O)N[C@H](CCC[NH3+])c1ccccc1 ZINC000418658157 500302531 /nfs/dbraw/zinc/30/25/31/500302531.db2.gz JDYKGAZBIPTMBE-LJQANCHMSA-N 2 0 374.554 3.302 20 0 FGADRP CCC(CC)[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)N1CCOCC1 ZINC000422821638 500302950 /nfs/dbraw/zinc/30/29/50/500302950.db2.gz XQGWAJAQFRMHSG-NCYKPQTJSA-N 2 0 351.579 3.024 20 0 FGADRP Cc1cc(Br)cc(C)c1C[NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000422828128 500303630 /nfs/dbraw/zinc/30/36/30/500303630.db2.gz SWXJVQOAWAGVBO-KZNAEPCWSA-N 2 0 367.331 3.313 20 0 FGADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CC1CC[NH+](Cc2cccs2)CC1 ZINC000422835858 500303950 /nfs/dbraw/zinc/30/39/50/500303950.db2.gz ZDHCCRDQZYJYCH-HNNXBMFYSA-N 3 0 358.555 3.473 20 0 FGADRP c1ccc2c(c1)O[C@@]1(CC[NH2+]C1)C[C@@H]2NC1CC[NH+](C2CCCC2)CC1 ZINC000422835860 500304295 /nfs/dbraw/zinc/30/42/95/500304295.db2.gz JGCRGHRNLVAUAC-UNMCSNQZSA-N 2 0 355.526 3.239 20 0 FGADRP C[C@@H]1CCN(C(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)CC[N@@H+]1Cc1ccccc1 ZINC000418667195 500304587 /nfs/dbraw/zinc/30/45/87/500304587.db2.gz MGPBXGAEABMPJW-VAMGGRTRSA-N 2 0 372.557 3.058 20 0 FGADRP C[C@@H]1CCC[N@H+](Cc2ccc(C[NH2+][C@@H]3CCOC[C@H]3[C@@H]3CCC[NH2+]3)cc2)C1 ZINC000422855412 500305821 /nfs/dbraw/zinc/30/58/21/500305821.db2.gz DUCUYGADZJMHNB-HGSOSGBHSA-N 3 0 371.569 3.165 20 0 FGADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]Cc1ccccc1COCc1ccccc1 ZINC000422858801 500306600 /nfs/dbraw/zinc/30/66/00/500306600.db2.gz JHWBVFZYIHWJJE-WTOYTKOKSA-N 2 0 354.494 3.245 20 0 FGADRP CCOC(=O)C1([C@H](C)[NH2+][C@@H](C)c2cccc(N3CCCC3)c2)CC[NH2+]CC1 ZINC000422875276 500309015 /nfs/dbraw/zinc/30/90/15/500309015.db2.gz OTSSMJNYZOFJGQ-ROUUACIJSA-N 2 0 373.541 3.259 20 0 FGADRP C[C@@H]([NH3+])C1CC[NH+]([C@@H](C)C(=O)NC(c2ccccc2)c2ccccc2)CC1 ZINC000430934385 500309645 /nfs/dbraw/zinc/30/96/45/500309645.db2.gz MDNLMPUOWXRJEL-MSOLQXFVSA-N 2 0 365.521 3.340 20 0 FGADRP COc1ccc(CC[NH2+][C@@H](Cc2ccccc2)[C@@H](C)[NH3+])cc1OC(F)F ZINC000422878884 500309657 /nfs/dbraw/zinc/30/96/57/500309657.db2.gz LEDMSNFKFUYOHZ-PBHICJAKSA-N 2 0 364.436 3.387 20 0 FGADRP C[C@H]([NH2+]Cc1ccc(NC(=O)CCCOc2ccccc2)cc1)C1C[NH2+]C1 ZINC000422878029 500309815 /nfs/dbraw/zinc/30/98/15/500309815.db2.gz IRQIDCMMUBRSIU-KRWDZBQOSA-N 2 0 367.493 3.182 20 0 FGADRP C[C@@H](CCC[NH3+])[NH2+]CC1(c2ccc(Br)cc2)CCOCC1 ZINC000422883866 500310337 /nfs/dbraw/zinc/31/03/37/500310337.db2.gz VTMOWRFHQDHSPU-AWEZNQCLSA-N 2 0 355.320 3.214 20 0 FGADRP COc1cccc(C2(C[NH2+][C@@H]3CCOC[C@@H]3[C@@H]3CCC[NH2+]3)CCCC2)c1 ZINC000422890084 500311639 /nfs/dbraw/zinc/31/16/39/500311639.db2.gz RCDQKLUTSLKTEO-QHAWAJNXSA-N 2 0 358.526 3.254 20 0 FGADRP Cn1c2ccc(C(F)(F)F)cc2nc1C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000430948353 500312026 /nfs/dbraw/zinc/31/20/26/500312026.db2.gz IOJOEOUVPGTMHS-UHFFFAOYSA-N 2 0 352.404 3.168 20 0 FGADRP CCOC(=O)C1([C@@H](C)[NH2+]Cc2cccc(OCC(C)C)c2)CC[NH2+]CC1 ZINC000422894461 500312600 /nfs/dbraw/zinc/31/26/00/500312600.db2.gz CFNJZCOJSYYLNH-QGZVFWFLSA-N 2 0 362.514 3.132 20 0 FGADRP COc1ccc(Cl)cc1C1(C[NH2+][C@@H]2CC[NH2+]CC[C@H]2C)CCOCC1 ZINC000422897227 500313050 /nfs/dbraw/zinc/31/30/50/500313050.db2.gz BNWZMFBGVDSMMH-CRAIPNDOSA-N 2 0 366.933 3.375 20 0 FGADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+][C@H]1CCCN(Cc2c(F)cccc2F)C1 ZINC000422905397 500314492 /nfs/dbraw/zinc/31/44/92/500314492.db2.gz IGPVWGXKXWTYOP-SGXKBVARSA-N 2 0 373.491 3.477 20 0 FGADRP COc1ccccc1Oc1ccc(C[NH2+][C@@H]2CCOC[C@@H]2[C@H](C)[NH3+])cc1 ZINC000422905711 500314505 /nfs/dbraw/zinc/31/45/05/500314505.db2.gz IUEUNAGDTDEJRJ-KFKAGJAMSA-N 2 0 356.466 3.329 20 0 FGADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CCc1nc2ccccc2n1C(F)F ZINC000422906752 500314912 /nfs/dbraw/zinc/31/49/12/500314912.db2.gz AMZMZCJFAPXYER-LBPRGKRZSA-N 2 0 359.424 3.487 20 0 FGADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CC1CC[NH+](Cc2ccccc2)CC1 ZINC000422908703 500314952 /nfs/dbraw/zinc/31/49/52/500314952.db2.gz ZAOIXOMJJREDEG-WMZHIEFXSA-N 3 0 351.538 3.447 20 0 FGADRP C[NH+](C)CCOc1cccc(N[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000422913003 500315139 /nfs/dbraw/zinc/31/51/39/500315139.db2.gz OUARJIPISMJGQQ-RBBKRZOGSA-N 2 0 367.493 3.295 20 0 FGADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000422909977 500315218 /nfs/dbraw/zinc/31/52/18/500315218.db2.gz HCDWNEMSSHTUQA-CVDCTZTESA-N 2 0 367.537 3.209 20 0 FGADRP CN(C(=O)[C@H](Cc1ccccc1)[NH2+]C1CCC(C[NH3+])CC1)c1ccccc1 ZINC000422917044 500315925 /nfs/dbraw/zinc/31/59/25/500315925.db2.gz FIPSIRUIODOMMQ-AOMIVXANSA-N 2 0 365.521 3.368 20 0 FGADRP CCOC(=O)C1([C@H](C)[NH2+]Cc2ccc(OC3CCCC3)cc2)CC[NH2+]CC1 ZINC000422945999 500321751 /nfs/dbraw/zinc/32/17/51/500321751.db2.gz ODSUIVPDQMJVCN-KRWDZBQOSA-N 2 0 374.525 3.419 20 0 FGADRP C[C@H]([NH2+]CC1(c2cccc(Br)c2)CCOCC1)[C@@H]1CCC[NH2+]1 ZINC000422949624 500322823 /nfs/dbraw/zinc/32/28/23/500322823.db2.gz UPAMOBNPFXKCDY-YOEHRIQHSA-N 2 0 367.331 3.227 20 0 FGADRP CCOC(=O)C1([C@H](C)[NH2+]CCOc2ccccc2C(C)C)CC[NH2+]CC1 ZINC000422953456 500323150 /nfs/dbraw/zinc/32/31/50/500323150.db2.gz FKLCDACLDLVGKW-KRWDZBQOSA-N 2 0 362.514 3.100 20 0 FGADRP Cc1ccc(Br)cc1NC(=O)CC[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000422956344 500323296 /nfs/dbraw/zinc/32/32/96/500323296.db2.gz PMBWGWXDWAXFQN-UKRRQHHQSA-N 2 0 368.319 3.193 20 0 FGADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCNc1cccc(Br)c1 ZINC000422965953 500324547 /nfs/dbraw/zinc/32/45/47/500324547.db2.gz QHYFRTYRICPCFS-KSSFIOAISA-N 2 0 362.315 3.409 20 0 FGADRP FC(F)(F)c1cccc(-c2noc(C[NH+]3CCC4(CC[NH2+]C4)CC3)n2)c1 ZINC000431035478 500326652 /nfs/dbraw/zinc/32/66/52/500326652.db2.gz BDNWSCZURKFHSW-UHFFFAOYSA-N 2 0 366.387 3.331 20 0 FGADRP COc1ccc([C@H](NC[C@H]2CCC[N@H+](CC(C)C)C2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422997313 500329346 /nfs/dbraw/zinc/32/93/46/500329346.db2.gz NMFBDCRYGDUACZ-COPCDDAFSA-N 2 0 359.558 3.446 20 0 FGADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]CCc1cccc(OCc2ccccc2)c1 ZINC000423020648 500331618 /nfs/dbraw/zinc/33/16/18/500331618.db2.gz CJWSQNKIUGJLCY-WTOYTKOKSA-N 2 0 354.494 3.150 20 0 FGADRP COc1ccc(C[C@@H](C)C[NH2+][C@@H](C)c2ccc(C[NH3+])nc2C)cc1OC ZINC000423027254 500332516 /nfs/dbraw/zinc/33/25/16/500332516.db2.gz REKNKTZRXILZDV-CABCVRRESA-N 2 0 357.498 3.395 20 0 FGADRP CCCN(Cc1nc(C(C)(C)[NH3+])no1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000431079127 500332848 /nfs/dbraw/zinc/33/28/48/500332848.db2.gz IKQMHTFVUYHVHO-GOSISDBHSA-N 2 0 371.529 3.140 20 0 FGADRP Cc1cc(NC(=O)[C@@H]2CCC[N@@H+]2C2CC2)ccc1OCC[NH+]1CCCC1 ZINC000426891916 500334135 /nfs/dbraw/zinc/33/41/35/500334135.db2.gz SBMUUGOYESQSNP-IBGZPJMESA-N 2 0 357.498 3.035 20 0 FGADRP CCOC(=O)C1([C@H](C)[NH2+]Cc2cccc(-c3cccnc3)c2)CC[NH2+]CC1 ZINC000423044116 500334428 /nfs/dbraw/zinc/33/44/28/500334428.db2.gz AWMGFADHAOSEIM-KRWDZBQOSA-N 2 0 367.493 3.160 20 0 FGADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@H]1CSCCN1Cc1ccccc1 ZINC000423074611 500338806 /nfs/dbraw/zinc/33/88/06/500338806.db2.gz MIIHZXBHFSYYES-JXFKEZNVSA-N 2 0 370.566 3.117 20 0 FGADRP CCOC(=O)C1([C@H](C)[NH2+][C@H]2C[C@H](c3cccc(Cl)c3)C2)CC[NH2+]CC1 ZINC000423095618 500341754 /nfs/dbraw/zinc/34/17/54/500341754.db2.gz MRKFBTDNJOHZAW-ZVZYQTTQSA-N 2 0 364.917 3.497 20 0 FGADRP CCOC(=O)C1([C@H](C)[NH2+]CC2(c3ccc(C)cc3C)CC2)CC[NH2+]CC1 ZINC000423148102 500348655 /nfs/dbraw/zinc/34/86/55/500348655.db2.gz UIFVOVSAFZZECS-SFHVURJKSA-N 2 0 358.526 3.246 20 0 FGADRP Cc1ccc(C[C@H](CO)C[NH2+][C@@H](C)CCCC[NH3+])cc1Br ZINC000423153553 500348958 /nfs/dbraw/zinc/34/89/58/500348958.db2.gz HSRVZEAIHWHLBU-HOCLYGCPSA-N 2 0 357.336 3.016 20 0 FGADRP Cc1c(Br)cccc1C[C@H](CO)C[NH2+][C@@H]1CCCCC[C@@H]1[NH3+] ZINC000423160678 500350131 /nfs/dbraw/zinc/35/01/31/500350131.db2.gz MOVLCBMVFYOPAZ-JCGIZDLHSA-N 2 0 369.347 3.158 20 0 FGADRP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000423180199 500351657 /nfs/dbraw/zinc/35/16/57/500351657.db2.gz KHWVUOGDYVVRRU-GNJRFXKQSA-N 2 0 371.569 3.034 20 0 FGADRP C[C@H]([NH2+][C@@H]1CCCC[C@H]1C[NH3+])c1ccccc1I ZINC000423273892 500361253 /nfs/dbraw/zinc/36/12/53/500361253.db2.gz LBMGCJFZPRQJNO-SLEUVZQESA-N 2 0 358.267 3.459 20 0 FGADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2N[C@H]2CC[NH2+][C@@H](c3ccccc3)C2)cc1 ZINC000423324571 500364674 /nfs/dbraw/zinc/36/46/74/500364674.db2.gz HYULZHAYLWGTOJ-SNJCGAMXSA-N 2 0 365.521 3.224 20 0 FGADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2N[C@H]2CC[NH2+][C@H](c3ccccc3)C2)cc1 ZINC000423324573 500365020 /nfs/dbraw/zinc/36/50/20/500365020.db2.gz HYULZHAYLWGTOJ-UDIDDNNKSA-N 2 0 365.521 3.224 20 0 FGADRP CC(C)[C@H](C(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1)[C@@H](C)[NH3+] ZINC000423339729 500365148 /nfs/dbraw/zinc/36/51/48/500365148.db2.gz WVOCHXHVXSBATB-JLSDUUJJSA-N 2 0 351.922 3.213 20 0 FGADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC000427197394 500365707 /nfs/dbraw/zinc/36/57/07/500365707.db2.gz CPNOXWGZCBBILI-AZUAARDMSA-N 2 0 357.542 3.135 20 0 FGADRP FC(F)(F)[C@H](C[NH2+][C@@H](c1cccs1)C1CCCC1)N1CC[NH2+]CC1 ZINC000423372808 500367938 /nfs/dbraw/zinc/36/79/38/500367938.db2.gz BJOZUPSUWIXDKU-JKSUJKDBSA-N 2 0 361.477 3.405 20 0 FGADRP C[C@H]([NH2+][C@H]1CCC[C@@H]([NH3+])C1)c1ccc(F)c(I)c1 ZINC000423375621 500368023 /nfs/dbraw/zinc/36/80/23/500368023.db2.gz UKEZIVMQYYKVCD-WCQGTBRESA-N 2 0 362.230 3.351 20 0 FGADRP CSc1ccc([C@@H](C)[NH2+]C[C@@H](N2CC[NH2+]CC2)C(F)(F)F)cc1F ZINC000423379198 500368776 /nfs/dbraw/zinc/36/87/76/500368776.db2.gz GKCCXMGJKHNYKB-IAQYHMDHSA-N 2 0 365.440 3.034 20 0 FGADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000427215675 500368786 /nfs/dbraw/zinc/36/87/86/500368786.db2.gz CBNQHCCHSSTNCS-HDICACEKSA-N 2 0 359.514 3.363 20 0 FGADRP Fc1ccc(CCN2CCC([NH2+]Cc3ccc4c(c3)C[NH2+]C4)CC2)cc1 ZINC000423389722 500369609 /nfs/dbraw/zinc/36/96/09/500369609.db2.gz OFDGMWZEFLHNOR-UHFFFAOYSA-N 2 0 353.485 3.226 20 0 FGADRP Cc1c2ccccc2oc1[C@H](C)[NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000423404597 500371302 /nfs/dbraw/zinc/37/13/02/500371302.db2.gz ZWOONUQJBHZSEG-BBRMVZONSA-N 2 0 355.404 3.228 20 0 FGADRP COCC1(C[NH2+][C@H](C)Cc2ccc(F)cc2Br)CC[NH2+]CC1 ZINC000423410701 500371699 /nfs/dbraw/zinc/37/16/99/500371699.db2.gz SMCHIUXOYIPGRM-CYBMUJFWSA-N 2 0 373.310 3.125 20 0 FGADRP COc1ccc([C@@H](Cc2ccncc2)[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)cc1 ZINC000423434899 500374269 /nfs/dbraw/zinc/37/42/69/500374269.db2.gz KTLQQVOJCBLOLK-BHDDXSALSA-N 2 0 351.494 3.352 20 0 FGADRP C[C@H]([NH2+]CCC[C@H]1CCC[NH2+]1)c1ccc(I)cc1 ZINC000423471061 500377070 /nfs/dbraw/zinc/37/70/70/500377070.db2.gz DVOFCKMUJIXWKA-WFASDCNBSA-N 2 0 358.267 3.474 20 0 FGADRP O=C(C[C@H]1CCC[NH2+]CC1)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000427293326 500378273 /nfs/dbraw/zinc/37/82/73/500378273.db2.gz AFHMGRSEQZUTJQ-IBGZPJMESA-N 2 0 357.542 3.459 20 0 FGADRP CC1CC[NH+](Cc2cccc(CNC(=O)C[C@@H]3CCC[NH2+]CC3)c2)CC1 ZINC000427297414 500378947 /nfs/dbraw/zinc/37/89/47/500378947.db2.gz ZTOFJIZRXFCLHS-LJQANCHMSA-N 2 0 357.542 3.315 20 0 FGADRP O=C(C[C@@H]1CCC[NH2+]CC1)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000427299805 500379078 /nfs/dbraw/zinc/37/90/78/500379078.db2.gz QJVSAROUBZEXSC-MRXNPFEDSA-N 2 0 363.933 3.200 20 0 FGADRP CC1CC[NH+]([C@H](CNC(=O)C[C@@H]2CCC[NH2+]CC2)c2cccs2)CC1 ZINC000427311420 500380169 /nfs/dbraw/zinc/38/01/69/500380169.db2.gz AVZCEMYZAMYJKX-QZTJIDSGSA-N 2 0 363.571 3.417 20 0 FGADRP CSc1ccc([C@@H](C)[NH2+]C2CCC([NH+]3CCNCC3)CC2)cc1F ZINC000423519753 500381933 /nfs/dbraw/zinc/38/19/33/500381933.db2.gz QLIXQUYPFMJFDV-ODIFPOPNSA-N 2 0 351.535 3.415 20 0 FGADRP COc1ccccc1NC(=O)C[C@H](C)[NH2+]CC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000423526016 500382268 /nfs/dbraw/zinc/38/22/68/500382268.db2.gz KXQCDQPXHFXKBN-XPSJVXEXSA-N 2 0 371.525 3.156 20 0 FGADRP c1ccc(C[N@@H+]2C[C@@H]3CC[C@@H](N[C@@H]4C[NH2+]C[C@H]4c4ccccc4)[C@@H]3C2)cc1 ZINC000423525584 500382462 /nfs/dbraw/zinc/38/24/62/500382462.db2.gz KLWUUYBXMPDMDZ-QJUOVVKFSA-N 2 0 361.533 3.242 20 0 FGADRP CC(C)[C@H]([NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1)c1cccnc1 ZINC000423545543 500383649 /nfs/dbraw/zinc/38/36/49/500383649.db2.gz CYGFDSNORCNSCK-NRFANRHFSA-N 2 0 352.526 3.362 20 0 FGADRP C[C@H](Cc1ccc(Br)c(F)c1)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000423549538 500384423 /nfs/dbraw/zinc/38/44/23/500384423.db2.gz SKIBBSSOMGJGDT-NMFUWQPSSA-N 2 0 355.295 3.497 20 0 FGADRP C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000423554541 500384837 /nfs/dbraw/zinc/38/48/37/500384837.db2.gz WTSPWNHMDGHUFE-CYGHRXIMSA-N 2 0 363.933 3.055 20 0 FGADRP C[C@@H]([NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1)c1ccc2c(c1)OCO2 ZINC000423582367 500387042 /nfs/dbraw/zinc/38/70/42/500387042.db2.gz ZZFZTUSWSIVVMK-QGZVFWFLSA-N 2 0 367.493 3.059 20 0 FGADRP C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)N[C@H](CC[NH3+])C(F)F)c1 ZINC000423674579 500393453 /nfs/dbraw/zinc/39/34/53/500393453.db2.gz GYMAQOLXCLMRFA-GOSISDBHSA-N 2 0 361.436 3.031 20 0 FGADRP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000579518029 506193244 /nfs/dbraw/zinc/19/32/44/506193244.db2.gz DVSWYTXXEOQQLT-WIYYLYMNSA-N 2 0 368.525 3.109 20 0 FGADRP C[C@@H](CC(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)cc1)C1CC[NH2+]CC1 ZINC000423774685 500400828 /nfs/dbraw/zinc/40/08/28/500400828.db2.gz OIKOUKOXKZTCFP-KBXCAEBGSA-N 2 0 351.922 3.085 20 0 FGADRP C[NH+](C)[C@H](CC(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C)c1ccccc1 ZINC000431727787 500415685 /nfs/dbraw/zinc/41/56/85/500415685.db2.gz VRMGOHHMPTXRJL-WOJBJXKFSA-N 2 0 357.473 3.238 20 0 FGADRP CCC(CC)(C[NH3+])C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000423896102 500416794 /nfs/dbraw/zinc/41/67/94/500416794.db2.gz GHHUUFUGLLYGIC-WOJBJXKFSA-N 2 0 357.542 3.265 20 0 FGADRP CC[N@H+](Cc1ccc(C(=O)N2CCCC[C@H]2[C@H]2CC[NH2+]C2)cc1)C1CC1 ZINC000423957645 500424273 /nfs/dbraw/zinc/42/42/73/500424273.db2.gz AULNIBMPEGENIA-FPOVZHCZSA-N 2 0 355.526 3.275 20 0 FGADRP CC(C)[C@@H](C(=O)Nc1nc(C2CC[NH2+]CC2)cs1)[NH+]1CCCCC1 ZINC000423977305 500428361 /nfs/dbraw/zinc/42/83/61/500428361.db2.gz IDNIYWJGONCAED-INIZCTEOSA-N 2 0 350.532 3.059 20 0 FGADRP [NH3+][C@@H]1CCCC[C@@H]1CC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000573442791 506195362 /nfs/dbraw/zinc/19/53/62/506195362.db2.gz QNXPHPFTOOTCHP-GXRSIYKFSA-N 2 0 369.553 3.407 20 0 FGADRP C[C@@H]([NH3+])C1CC[NH+]([C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)CC1 ZINC000420299408 500436491 /nfs/dbraw/zinc/43/64/91/500436491.db2.gz UAGYUSJZSKEAKK-BZNIZROVSA-N 2 0 356.297 3.158 20 0 FGADRP COc1ccc([C@H](C[NH3+])C[N@H+](C)Cc2ccc(OC(F)F)cc2)cc1 ZINC000420299027 500436584 /nfs/dbraw/zinc/43/65/84/500436584.db2.gz GBZSHIGFUHZCIZ-MRXNPFEDSA-N 2 0 350.409 3.471 20 0 FGADRP COc1ccc([C@@H](C[NH3+])C[N@@H+]2CCC[C@H]2c2ccc3c(c2)OCCO3)cc1 ZINC000420297891 500436660 /nfs/dbraw/zinc/43/66/60/500436660.db2.gz DUCKEQGCTSGLCD-ICSRJNTNSA-N 2 0 368.477 3.346 20 0 FGADRP CC[NH+](CC)C[C@H]1CCCC[C@H]1NC(=O)NC1CC[NH+](CC(C)C)CC1 ZINC000431877209 500438011 /nfs/dbraw/zinc/43/80/11/500438011.db2.gz ZNQMEVLWRBFCKS-UYAOXDASSA-N 2 0 366.594 3.307 20 0 FGADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000431880385 500438035 /nfs/dbraw/zinc/43/80/35/500438035.db2.gz WXPJVNJCTUWFJV-WMZOPIPTSA-N 2 0 366.594 3.495 20 0 FGADRP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1ccnc(-c2ccc(Br)cc2)n1 ZINC000420309832 500439293 /nfs/dbraw/zinc/43/92/93/500439293.db2.gz FIVXDVYLNHVTOB-QWHCGFSZSA-N 2 0 361.287 3.075 20 0 FGADRP CC[N@H+](CC[C@H]1CC[NH2+]C1)C1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC000420312480 500439359 /nfs/dbraw/zinc/43/93/59/500439359.db2.gz HTEXRLCJQGBVFQ-GOSISDBHSA-N 3 0 359.562 3.199 20 0 FGADRP CC[NH+](CC)CCOCC[NH2+][C@@H]1CCCc2ncc(C(F)(F)F)cc21 ZINC000427873339 500441424 /nfs/dbraw/zinc/44/14/24/500441424.db2.gz KRGWSCRIDCSVEL-MRXNPFEDSA-N 2 0 359.436 3.426 20 0 FGADRP C[C@@H](c1cccc(Br)c1)[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000420328397 500442721 /nfs/dbraw/zinc/44/27/21/500442721.db2.gz MJHTXSGDJJKYEW-ZFWWWQNUSA-N 2 0 353.304 3.197 20 0 FGADRP c1cn2c(n1)C[C@H]([NH2+][C@H]1CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]31)CC2 ZINC000427884790 500442877 /nfs/dbraw/zinc/44/28/77/500442877.db2.gz HEESBUKEVJTIPN-WOZUAGRISA-N 2 0 350.510 3.088 20 0 FGADRP C[C@@H](c1cc2ccccc2o1)N(C)C(=O)C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000420334208 500443359 /nfs/dbraw/zinc/44/33/59/500443359.db2.gz IVXIGSSLUQEHCG-QFBILLFUSA-N 2 0 369.509 3.416 20 0 FGADRP C[C@H](C1CC1)N(Cc1ccccc1)C(=O)C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000420337322 500444027 /nfs/dbraw/zinc/44/40/27/500444027.db2.gz JVLPENVAEHVOGW-GCJKJVERSA-N 2 0 369.553 3.278 20 0 FGADRP C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000420337317 500444217 /nfs/dbraw/zinc/44/42/17/500444217.db2.gz JVLPENVAEHVOGW-AVRDEDQJSA-N 2 0 369.553 3.278 20 0 FGADRP C[C@@H](NC(=O)C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1)c1ccc2ccccc2c1 ZINC000420340167 500444697 /nfs/dbraw/zinc/44/46/97/500444697.db2.gz MSPQKGBWOAEGIP-VGOFRKELSA-N 2 0 365.521 3.481 20 0 FGADRP C[C@H](C(=O)Nc1cccc2ncccc21)[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000420343690 500445718 /nfs/dbraw/zinc/44/57/18/500445718.db2.gz ZUSAKHRSKJHLTK-QAPCUYQASA-N 2 0 352.482 3.026 20 0 FGADRP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](CCOc2ccc(Cl)c(F)c2)CC1 ZINC000420367902 500448448 /nfs/dbraw/zinc/44/84/48/500448448.db2.gz AJFJBBXBTMPYIY-MSOLQXFVSA-N 2 0 356.869 3.076 20 0 FGADRP [NH3+]Cc1cn([C@H]2CCC[N@H+](Cc3sc4ccccc4c3Cl)C2)nn1 ZINC000420370281 500449607 /nfs/dbraw/zinc/44/96/07/500449607.db2.gz CMBBJVXTKPQVGS-ZDUSSCGKSA-N 2 0 361.902 3.442 20 0 FGADRP COc1ccc([C@H](C[NH3+])C[N@@H+]2CCC[C@H]2Cn2cnc3ccccc32)cc1 ZINC000420373707 500450203 /nfs/dbraw/zinc/45/02/03/500450203.db2.gz MXYKRJNDFRPDFU-MOPGFXCFSA-N 2 0 364.493 3.252 20 0 FGADRP Cc1oc(-c2ccsc2)nc1C[NH+]1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000420388214 500453569 /nfs/dbraw/zinc/45/35/69/500453569.db2.gz WZMBQKDYIULOSP-AEFFLSMTSA-N 2 0 361.511 3.430 20 0 FGADRP O=C(CC[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1)Nc1ccc(Cl)cc1F ZINC000420408234 500456688 /nfs/dbraw/zinc/45/66/88/500456688.db2.gz VWUJFIRJYDZWIE-DYVFJYSZSA-N 2 0 353.869 3.272 20 0 FGADRP O=C(CC[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1)Nc1cccc(C(F)(F)F)c1 ZINC000420406923 500456813 /nfs/dbraw/zinc/45/68/13/500456813.db2.gz UUOBUYUUUYFADX-RHSMWYFYSA-N 2 0 369.431 3.498 20 0 FGADRP CC(C)n1cncc1C[NH2+]Cc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000424130195 500458338 /nfs/dbraw/zinc/45/83/38/500458338.db2.gz HCBKOVMLHCYOHO-HDICACEKSA-N 2 0 356.514 3.363 20 0 FGADRP CC[NH+]1CCN(CCCC[NH2+][C@@H](C)c2ccc(OC)cc2Cl)CC1 ZINC000424260744 500477159 /nfs/dbraw/zinc/47/71/59/500477159.db2.gz DLYCDCSOYMZGMZ-INIZCTEOSA-N 2 0 353.938 3.417 20 0 FGADRP Fc1cc2cccnc2c(C[NH+]2CCC(n3ncc4c3C[NH2+]C4)CC2)c1 ZINC000424286550 500481657 /nfs/dbraw/zinc/48/16/57/500481657.db2.gz HFDYOZXUJMLYJM-UHFFFAOYSA-N 2 0 351.429 3.011 20 0 FGADRP C[C@@H]1CC2(C[N@@H+]1CC(=O)Nc1ccc(Cl)c(Cl)c1)CC[NH2+]CC2 ZINC000424301614 500483000 /nfs/dbraw/zinc/48/30/00/500483000.db2.gz XWEGPUCUSZMECI-GFCCVEGCSA-N 2 0 356.297 3.396 20 0 FGADRP CCN(C(=O)C[N@@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2)[C@@H](C)c1ccc(F)cc1 ZINC000424296845 500483056 /nfs/dbraw/zinc/48/30/56/500483056.db2.gz SJBMSTRCAKDXRP-IRXDYDNUSA-N 2 0 361.505 3.199 20 0 FGADRP CCN(C(=O)C[N@@H+]1CC2(C[C@H]1C)CC[NH2+]CC2)[C@H](C)c1ccc(F)cc1 ZINC000424296841 500483292 /nfs/dbraw/zinc/48/32/92/500483292.db2.gz SJBMSTRCAKDXRP-IAGOWNOFSA-N 2 0 361.505 3.199 20 0 FGADRP COc1cc(Br)c(C[N@@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)cc1O ZINC000424372944 500493224 /nfs/dbraw/zinc/49/32/24/500493224.db2.gz GCOFDMVHYZAMMN-LBPRGKRZSA-N 2 0 369.303 3.127 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)NC1CCC([NH+](C)C)CC1)c1ccccc1 ZINC000420770439 500496832 /nfs/dbraw/zinc/49/68/32/500496832.db2.gz KEIYLTPHEWARGX-MHJFOBGBSA-N 2 0 360.546 3.242 20 0 FGADRP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000420775073 500498074 /nfs/dbraw/zinc/49/80/74/500498074.db2.gz BLOZZZPVGSCIEH-NRFANRHFSA-N 2 0 372.557 3.298 20 0 FGADRP Cc1cc(C[NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)ccc1Br ZINC000432357433 500504155 /nfs/dbraw/zinc/50/41/55/500504155.db2.gz MAZMQQNLBWNFJT-HNNXBMFYSA-N 2 0 355.320 3.348 20 0 FGADRP Cc1cc(C[NH3+])cc(NC(=O)N(CC[NH+](C)C)Cc2cccc(F)c2)c1 ZINC000424442256 500505801 /nfs/dbraw/zinc/50/58/01/500505801.db2.gz XUQIEGVOEHXKSI-UHFFFAOYSA-N 2 0 358.461 3.189 20 0 FGADRP CC1CC[NH+](Cc2cccc(CNC(=O)N(C)C[C@@H]3CCC[N@@H+]3C)c2)CC1 ZINC000420811007 500507330 /nfs/dbraw/zinc/50/73/30/500507330.db2.gz YZSHBKFMJTWDOZ-NRFANRHFSA-N 2 0 372.557 3.154 20 0 FGADRP CCc1ccc([C@H](CNC(=O)N2CC[NH+]3CCC2CC3)[NH+](CC)CC)cc1 ZINC000432432903 500515537 /nfs/dbraw/zinc/51/55/37/500515537.db2.gz UHCFCTLGLSFYAH-NRFANRHFSA-N 2 0 372.557 3.122 20 0 FGADRP C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)N2CCCC[C@@H]2C[NH3+])c1 ZINC000428548690 500525223 /nfs/dbraw/zinc/52/52/23/500525223.db2.gz RDBNTFSFYJHXKN-OAQYLSRUSA-N 2 0 351.494 3.272 20 0 FGADRP CC[NH+](CC)[C@H](C(=O)N[C@@H]1CC[NH2+]C[C@H]1C)c1cccc(C(F)(F)F)c1 ZINC000432521628 500526559 /nfs/dbraw/zinc/52/65/59/500526559.db2.gz ZCJGENYQPLCINZ-XYPHTWIQSA-N 2 0 371.447 3.203 20 0 FGADRP C[C@@H]([NH2+]C[C@H](O)Cn1c2ccccc2c2ccccc21)C1=CC[N@H+](C)CC1 ZINC000576631493 506202294 /nfs/dbraw/zinc/20/22/94/506202294.db2.gz OFSWESOYJSSXRJ-MJGOQNOKSA-N 2 0 363.505 3.395 20 0 FGADRP Cc1ccc(NC(=O)CCN2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)nc1 ZINC000447346807 500594390 /nfs/dbraw/zinc/59/43/90/500594390.db2.gz HCZQFGZRXAWEOU-MOPGFXCFSA-N 2 0 358.530 3.305 20 0 FGADRP Cc1ccccc1C[C@@H](C)[N@H+](C)CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000447406895 500601890 /nfs/dbraw/zinc/60/18/90/500601890.db2.gz XSUXBZRIIQSORV-KNQAVFIVSA-N 2 0 367.537 3.277 20 0 FGADRP [NH3+]C1CC[NH+](CCCC(=O)N(C2CC2)[C@@H]2CCCc3ccccc32)CC1 ZINC000433112963 500628139 /nfs/dbraw/zinc/62/81/39/500628139.db2.gz CNSIXGGPFCBNIS-OAQYLSRUSA-N 2 0 355.526 3.258 20 0 FGADRP C[C@@H]([NH2+]CCc1ccc(OCC[N@@H+]2C[C@H](C)[C@H](C)C2)cc1)c1ccnn1C ZINC000447589271 500630649 /nfs/dbraw/zinc/63/06/49/500630649.db2.gz XIXVMNODWNUMMO-CEXWTWQISA-N 2 0 370.541 3.280 20 0 FGADRP CC[C@H]1CN(C(=O)CCC[NH+]2CCC([NH3+])CC2)CC[C@H]1c1ccccc1 ZINC000433159190 500636750 /nfs/dbraw/zinc/63/67/50/500636750.db2.gz LJHDQSVGVTWYIS-GHTZIAJQSA-N 2 0 357.542 3.232 20 0 FGADRP Cc1ccc([C@@H]2CCC[C@@H]2N(C)C(=O)CCC[NH+]2CCC([NH3+])CC2)cc1 ZINC000433159294 500636783 /nfs/dbraw/zinc/63/67/83/500636783.db2.gz DKCYPBXBGXJGHN-SFTDATJTSA-N 2 0 357.542 3.293 20 0 FGADRP C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000442876582 500637556 /nfs/dbraw/zinc/63/75/56/500637556.db2.gz RVIOUULHWJERMT-OAHLLOKOSA-N 2 0 357.464 3.252 20 0 FGADRP C[N@@H+]1CCN(CC[NH2+][C@H]2CCc3cc(Br)ccc32)CC1(C)C ZINC000442876971 500638442 /nfs/dbraw/zinc/63/84/42/500638442.db2.gz QFSZRCQEOBFMCL-KRWDZBQOSA-N 2 0 366.347 3.052 20 0 FGADRP C[C@H]1CCN(C(=O)CN(C)Cc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000437480001 500648807 /nfs/dbraw/zinc/64/88/07/500648807.db2.gz FFTPCFCJPAHFNH-FQEVSTJZSA-N 2 0 365.521 3.241 20 0 FGADRP Cc1cc(C(F)(F)F)ccc1C[NH2+][C@@H](CC(C)C)C(=O)NCC[NH+](C)C ZINC000442988745 500659807 /nfs/dbraw/zinc/65/98/07/500659807.db2.gz GRVVTDWBKQQNLK-KRWDZBQOSA-N 2 0 373.463 3.196 20 0 FGADRP [NH3+]CC[C@@H]1CCC[N@H+](CC(=O)N[C@@H](c2cccs2)c2ccccc2)C1 ZINC000443058241 500670310 /nfs/dbraw/zinc/67/03/10/500670310.db2.gz JVPBFVOYOIAZMC-OXJNMPFZSA-N 2 0 357.523 3.015 20 0 FGADRP [NH3+]CC[C@H]1CCC[N@H+](CC(=O)Nc2ccc(Oc3ccccc3)cc2)C1 ZINC000443061107 500671101 /nfs/dbraw/zinc/67/11/01/500671101.db2.gz QXVNJSPYTLGHDH-QGZVFWFLSA-N 2 0 353.466 3.478 20 0 FGADRP CN(C(=O)C[N@@H+]1CCC[C@@H](CC[NH3+])C1)C(c1ccccc1)c1ccccc1 ZINC000443064485 500672518 /nfs/dbraw/zinc/67/25/18/500672518.db2.gz YIOFJUNTZBKWHS-IBGZPJMESA-N 2 0 365.521 3.295 20 0 FGADRP C[C@H](C(=O)N[C@@H](C)c1ccc2ccccc2c1)[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443068987 500673901 /nfs/dbraw/zinc/67/39/01/500673901.db2.gz JCZYCQUZCPRHJL-KSZLIROESA-N 2 0 353.510 3.466 20 0 FGADRP C[C@H](NC(=O)C[N@@H+]1CCC[C@@H](CC[NH3+])C1)c1ccc(Cl)c(Cl)c1 ZINC000443079602 500676221 /nfs/dbraw/zinc/67/62/21/500676221.db2.gz ZMWRCDKEIHYBCM-STQMWFEESA-N 2 0 358.313 3.231 20 0 FGADRP C[NH+]1CCC(C)(CNC(=O)[C@@]23CCC[C@@H]2C[N@H+](Cc2ccccc2)C3)CC1 ZINC000443125107 500683998 /nfs/dbraw/zinc/68/39/98/500683998.db2.gz DCYQDVCLIVSOOD-NFBKMPQASA-N 2 0 369.553 3.137 20 0 FGADRP CN(c1ccccc1C[NH2+]C[C@@H]1N(C)CCCC1(C)C)C1CC[NH+](C)CC1 ZINC000447900368 500688726 /nfs/dbraw/zinc/68/87/26/500688726.db2.gz BQPDKHNTYPRTQD-QFIPXVFZSA-N 2 0 372.601 3.427 20 0 FGADRP COc1cc(-c2noc(C[N@H+]3[C@H](C)CC[C@@H]3C)n2)ccc1OCC[NH+](C)C ZINC000443190364 500694441 /nfs/dbraw/zinc/69/44/41/500694441.db2.gz BHLCHMKGTIZGMW-GASCZTMLSA-N 2 0 374.485 3.058 20 0 FGADRP O=C(NC[C@@H]1CCCC[N@@H+]1C1CC1)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000433564523 500713227 /nfs/dbraw/zinc/71/32/27/500713227.db2.gz PXPGBGNGQXIQSN-LEWJYISDSA-N 2 0 370.541 3.140 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)NC[C@@H]2CCCC[NH+]2C2CC2)C1 ZINC000433567997 500713757 /nfs/dbraw/zinc/71/37/57/500713757.db2.gz KBKBNRZABGUDDW-NSHGMRRFSA-N 2 0 364.578 3.061 20 0 FGADRP NC1(C[NH2+]C2CCC3(CCOCC3)CC2)CC[NH+](Cc2ccccc2)CC1 ZINC000576685327 506210189 /nfs/dbraw/zinc/21/01/89/506210189.db2.gz RHAMUXBMVJDPFZ-UHFFFAOYSA-N 2 0 371.569 3.309 20 0 FGADRP C[C@H](CCCOc1ccccc1C(N)=O)[NH2+]C[C@H]1N(C)CCCC1(C)C ZINC000448367874 500753993 /nfs/dbraw/zinc/75/39/93/500753993.db2.gz RWBLXBAWDAOUFD-VQIMIIECSA-N 2 0 361.530 3.043 20 0 FGADRP C[C@H](NC(=O)N1CCC[N@H+](CC2CCCCC2)CC1)C(C)(C)C[NH+](C)C ZINC000443681575 500755781 /nfs/dbraw/zinc/75/57/81/500755781.db2.gz KJNYXWMWJNWBQG-SFHVURJKSA-N 2 0 366.594 3.260 20 0 FGADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000433940157 500768322 /nfs/dbraw/zinc/76/83/22/500768322.db2.gz JZQDZAVSKMWICD-OAQYLSRUSA-N 2 0 372.557 3.297 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@H]2CCC[NH+]2C2CCCCC2)C[C@@H]1C ZINC000438328863 500770646 /nfs/dbraw/zinc/77/06/46/500770646.db2.gz UNDIWTDWVSRLQW-YSIASYRMSA-N 2 0 364.578 3.298 20 0 FGADRP Cc1ccncc1CCC[N@@H+]1CCC[C@@H](CNC(=O)CC(F)(F)F)C1 ZINC000570727692 506215477 /nfs/dbraw/zinc/21/54/77/506215477.db2.gz FYBWMLCAEGCQHX-HNNXBMFYSA-N 2 0 357.420 3.103 20 0 FGADRP O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000438577287 500804194 /nfs/dbraw/zinc/80/41/94/500804194.db2.gz ROWVIXLZTIVDIB-MSOLQXFVSA-N 2 0 361.555 3.408 20 0 FGADRP CCO[C@@H]1C[C@]([NH3+])(C(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)C1(C)C ZINC000444162496 500811689 /nfs/dbraw/zinc/81/16/89/500811689.db2.gz AWMSDHGKXONQJB-KNQAVFIVSA-N 2 0 373.541 3.186 20 0 FGADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@@H]([NH3+])Cc2c[nH]c3ccccc23)C1 ZINC000438886174 500831331 /nfs/dbraw/zinc/83/13/31/500831331.db2.gz MGJKCBMYMGUAKS-APWZRJJASA-N 2 0 370.541 3.055 20 0 FGADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@@H]1CC[NH+]([C@@H](C)c2ccccc2)C1 ZINC000439215962 500870709 /nfs/dbraw/zinc/87/07/09/500870709.db2.gz NUFWADJQUXYYQM-KCLUMXDGSA-N 2 0 370.541 3.090 20 0 FGADRP C[NH+](C)CC[C@@H](NC(=O)N(CC[NH+](C)C)Cc1cccs1)C(C)(C)C ZINC000439297305 500882905 /nfs/dbraw/zinc/88/29/05/500882905.db2.gz LWSXCPOKDUYPJP-QGZVFWFLSA-N 2 0 368.591 3.188 20 0 FGADRP C[C@@H](C[NH2+]CCC[N@H+](C)C1CCCCC1)c1ccc(S(C)(=O)=O)cc1 ZINC000449061314 500914249 /nfs/dbraw/zinc/91/42/49/500914249.db2.gz IFEFLFKMXFEERJ-KRWDZBQOSA-N 2 0 366.571 3.438 20 0 FGADRP C[C@@H](C[NH2+]Cc1ccc(C[NH+](C)C)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000449064617 500915757 /nfs/dbraw/zinc/91/57/57/500915757.db2.gz VIZAONJUAJXQOK-INIZCTEOSA-N 2 0 360.523 3.045 20 0 FGADRP CC[NH+]1CCN(Cc2ccc(C[NH2+]C3CCC(COC)CC3)cc2)CC1 ZINC000449082674 500920155 /nfs/dbraw/zinc/92/01/55/500920155.db2.gz OWZMKDJCLZEZQP-UHFFFAOYSA-N 2 0 359.558 3.119 20 0 FGADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)NCC1CC[NH+](C2CC2)CC1)c1ccccc1 ZINC000444962411 500926030 /nfs/dbraw/zinc/92/60/30/500926030.db2.gz BAAMGKOVXVCWTP-QGZVFWFLSA-N 2 0 372.557 3.289 20 0 FGADRP C[C@@H](C[NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1)c1cc(F)cc(F)c1 ZINC000449106168 500926698 /nfs/dbraw/zinc/92/66/98/500926698.db2.gz HCERKGIYHNYWSU-KRWDZBQOSA-N 2 0 374.479 3.265 20 0 FGADRP Cc1cc(Br)c(C[NH2+]C[C@H](C)N2CC[NH+](C)CC2)cc1Cl ZINC000449134331 500932730 /nfs/dbraw/zinc/93/27/30/500932730.db2.gz ILDIBBJFXJWNBU-ZDUSSCGKSA-N 2 0 374.754 3.136 20 0 FGADRP C[C@H](C[NH2+][C@H](CC[NH+](C)C)C(C)(C)C)c1ccc(S(C)(=O)=O)cc1 ZINC000449143789 500934408 /nfs/dbraw/zinc/93/44/08/500934408.db2.gz RHKIHWLINSGGAZ-CRAIPNDOSA-N 2 0 354.560 3.150 20 0 FGADRP CC(C)[NH+]1CCC(O)(C[NH2+]Cc2cnc(-c3ccccc3F)s2)CC1 ZINC000449195914 500945564 /nfs/dbraw/zinc/94/55/64/500945564.db2.gz WXSYIKGUCIHCJS-UHFFFAOYSA-N 2 0 363.502 3.274 20 0 FGADRP C[C@H](Cc1coc2ccccc12)[NH2+]Cc1ccnc(OCC[NH+](C)C)c1 ZINC000449219597 500950720 /nfs/dbraw/zinc/95/07/20/500950720.db2.gz DOZVHVBHSPUQIO-MRXNPFEDSA-N 2 0 353.466 3.489 20 0 FGADRP C[C@@H](C[NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1cc(F)cc(F)c1 ZINC000449233775 500953944 /nfs/dbraw/zinc/95/39/44/500953944.db2.gz MZIIQRDZJRQHDX-YCRPNKLZSA-N 2 0 360.448 3.425 20 0 FGADRP C[C@H](NC(=O)NCC[N@@H+]1CCCC(C)(C)C1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000445247390 500960246 /nfs/dbraw/zinc/96/02/46/500960246.db2.gz IFJQNZIEGADGBJ-ROUUACIJSA-N 2 0 364.578 3.061 20 0 FGADRP COc1cccc(-c2nn(C(C)(C)C)cc2C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c1 ZINC000435380239 500963834 /nfs/dbraw/zinc/96/38/34/500963834.db2.gz QFYTXNDEBADGJJ-PWIZWCRZSA-N 2 0 368.525 3.483 20 0 FGADRP C[C@@H]([NH3+])C1CC[NH+](Cc2nc(-c3cccc(Br)c3)c[nH]2)CC1 ZINC000435393739 500967521 /nfs/dbraw/zinc/96/75/21/500967521.db2.gz ICYVYNVYMUUBLT-GFCCVEGCSA-N 2 0 363.303 3.398 20 0 FGADRP O=C(NC1CC[NH+](CCc2ccccc2)CC1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000440104426 500975382 /nfs/dbraw/zinc/97/53/82/500975382.db2.gz LRYQVWJAIXSXJW-JOCHJYFZSA-N 2 0 369.553 3.217 20 0 FGADRP CCC[N@H+](CCN1CC[NH+](CC)CC1)C[C@H](C)c1cc(F)cc(F)c1 ZINC000449330023 500979480 /nfs/dbraw/zinc/97/94/80/500979480.db2.gz REKQULPBZDUSLL-KRWDZBQOSA-N 2 0 353.501 3.418 20 0 FGADRP CC(=O)Nc1cccc(CN(Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)c1 ZINC000435616242 501002234 /nfs/dbraw/zinc/00/22/34/501002234.db2.gz KBIORJRXHWKIKB-OAQYLSRUSA-N 2 0 352.482 3.184 20 0 FGADRP CCCOc1c(OC)cc(CC[NH2+][C@@H]2CC[N@H+](CC)C[C@H]2C)cc1OC ZINC000449487086 501014706 /nfs/dbraw/zinc/01/47/06/501014706.db2.gz WPQWAZMKNOVSDM-SJLPKXTDSA-N 2 0 364.530 3.355 20 0 FGADRP C[C@H](C[S@@](C)=O)[NH2+]C[C@]1(C(C)(C)C)CC[N@H+](Cc2ccccc2)C1 ZINC000602608067 506229984 /nfs/dbraw/zinc/22/99/84/506229984.db2.gz LSDVJTREPINVDV-WSCWJOSJSA-N 2 0 350.572 3.281 20 0 FGADRP FC(F)(F)CN1C[C@@H](c2ccccc2)[C@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000449756224 501077441 /nfs/dbraw/zinc/07/74/41/501077441.db2.gz OYVXRZBDSKVLSI-CADBVGFASA-N 2 0 367.459 3.233 20 0 FGADRP CC1(C)[C@@H]2OCCC[C@H]2[C@]1([NH3+])C(=O)Nc1cccc(Oc2ccncc2)c1 ZINC000446371917 501111200 /nfs/dbraw/zinc/11/12/00/501111200.db2.gz HITRLYSMXQFRDL-OPYAIIAOSA-N 2 0 367.449 3.345 20 0 FGADRP O[C@@H]1CC[N@H+](Cc2ccccc2C[NH2+]Cc2cc3c(cccc3F)[nH]2)C1 ZINC000436401154 501120837 /nfs/dbraw/zinc/12/08/37/501120837.db2.gz OAJFEJKYZPPCOJ-GOSISDBHSA-N 2 0 353.441 3.163 20 0 FGADRP CC[N@H+](Cc1ccc(C(=O)NCC2CC[NH+](C3CC3)CC2)cc1)C1CC1 ZINC000446459708 501122646 /nfs/dbraw/zinc/12/26/46/501122646.db2.gz UMXVVWRIKJTHEF-UHFFFAOYSA-N 2 0 355.526 3.275 20 0 FGADRP COc1ccccc1-c1ccc(C[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000441347004 501124822 /nfs/dbraw/zinc/12/48/22/501124822.db2.gz ORYNDJDWXZUCJC-UHFFFAOYSA-N 2 0 367.537 3.478 20 0 FGADRP CC(C)[C@@H](COCc1ccccc1)[NH2+]C[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000446746225 501160278 /nfs/dbraw/zinc/16/02/78/501160278.db2.gz SYGWNBMRPDZGRK-FGZHOGPDSA-N 2 0 361.574 3.089 20 0 FGADRP C[N@@H+](Cc1ccn(CC(F)(F)F)n1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000450639054 501172978 /nfs/dbraw/zinc/17/29/78/501172978.db2.gz KEJPMVVBKCEKKI-UHFFFAOYSA-N 2 0 367.419 3.189 20 0 FGADRP Cc1cc([C@@H](C)[NH2+]CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)ccc1F ZINC000451159421 501249038 /nfs/dbraw/zinc/24/90/38/501249038.db2.gz ACYJXCPZFYFFLE-OXQOHEQNSA-N 2 0 357.473 3.204 20 0 FGADRP CC(=O)N1CCC([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)CC1 ZINC000453097626 501268082 /nfs/dbraw/zinc/26/80/82/501268082.db2.gz USWPXDQVIYQCTO-BDTNDASRSA-N 2 0 355.526 3.030 20 0 FGADRP CCC(CC)[C@@H](CNC(=O)N1CC[C@@]2(C1)CCC[N@H+](C)C2)[NH+]1CCCC1 ZINC000457621545 501270351 /nfs/dbraw/zinc/27/03/51/501270351.db2.gz QCQUSXXRMHUBTG-CTNGQTDRSA-N 2 0 364.578 3.014 20 0 FGADRP CC[C@@H]([NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1)c1ccsc1 ZINC000453107789 501271141 /nfs/dbraw/zinc/27/11/41/501271141.db2.gz MBKAFRXJMNCMGO-GOSISDBHSA-N 2 0 359.543 3.181 20 0 FGADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)NC(C)(C)CCC[NH+](C)C ZINC000457648372 501277065 /nfs/dbraw/zinc/27/70/65/501277065.db2.gz KAIYNHKPWOSNJS-UHFFFAOYSA-N 2 0 362.562 3.446 20 0 FGADRP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)NC(C)(C)CCC[NH+](C)C)C1 ZINC000457734792 501297351 /nfs/dbraw/zinc/29/73/51/501297351.db2.gz KWAMYYUSRVXIQN-QZTJIDSGSA-N 2 0 354.583 3.164 20 0 FGADRP C[C@H]1CCCC[C@@H]1[NH+]1CCC([N@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)CC1 ZINC000453277357 501306089 /nfs/dbraw/zinc/30/60/89/501306089.db2.gz JEFVEFOGSUMPJD-HUUJSLGLSA-N 2 0 369.553 3.311 20 0 FGADRP C[C@@H]1CCC[C@@H]([NH+]2CCC([N@H+]3C[C@H]4C[C@H](Cn5c(=O)cccc54)C3)CC2)C1 ZINC000453286663 501308385 /nfs/dbraw/zinc/30/83/85/501308385.db2.gz RADYERICGMXDFX-RCLSDMTESA-N 2 0 369.553 3.311 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCO[C@@H](c3ccncc3)C2)[C@@H](C)C1 ZINC000453361086 501320499 /nfs/dbraw/zinc/32/04/99/501320499.db2.gz QGTGXOKUTMKJAM-FYZZASKESA-N 2 0 361.530 3.028 20 0 FGADRP Cc1cnc(CC[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)cn1 ZINC000453407018 501325583 /nfs/dbraw/zinc/32/55/83/501325583.db2.gz RRAJHRNSROWPJL-BAGYTPMASA-N 2 0 350.510 3.218 20 0 FGADRP C[N@H+](CCCCNC(=O)N1CCC(CCC[NH+]2CCCC2)CC1)C1CC1 ZINC000455627092 501350385 /nfs/dbraw/zinc/35/03/85/501350385.db2.gz ZHLAQQPLDXFHGI-UHFFFAOYSA-N 2 0 364.578 3.158 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)N1CC[NH+](C2CCCC2)CC1)c1ccccc1 ZINC000611673541 506250522 /nfs/dbraw/zinc/25/05/22/506250522.db2.gz KZHNPTLKKAMTSB-NRFANRHFSA-N 2 0 372.557 3.339 20 0 FGADRP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000455950532 501424188 /nfs/dbraw/zinc/42/41/88/501424188.db2.gz ZSDAHPKWYCSJMH-GGPKGHCWSA-N 2 0 356.514 3.326 20 0 FGADRP C[C@@H]1C[C@H](NC(=O)NC(C)(C)CCC[NH+](C)C)CC[N@@H+]1Cc1ccccc1 ZINC000458486396 501455396 /nfs/dbraw/zinc/45/53/96/501455396.db2.gz GPKCAXLTPUEFDT-UYAOXDASSA-N 2 0 374.573 3.459 20 0 FGADRP C[C@@H]1C[C@H](NC(=O)NCC[C@H]2CCC[NH+](C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000458495530 501458560 /nfs/dbraw/zinc/45/85/60/501458560.db2.gz MNFOHXSFVMMHPQ-HMXCVIKNSA-N 2 0 372.557 3.071 20 0 FGADRP C[C@H](CCNC(=O)N1CC[N@@H+](C2CC2)C[C@@H](C)C1)[NH+](C)Cc1ccccc1 ZINC000458511116 501462792 /nfs/dbraw/zinc/46/27/92/501462792.db2.gz POSJCZLIPHGLAD-RTBURBONSA-N 2 0 372.557 3.023 20 0 FGADRP C[N@H+](CCCCNC(=O)NCc1ccccc1C[NH+]1CCCCC1)C1CC1 ZINC000454192881 501479617 /nfs/dbraw/zinc/47/96/17/501479617.db2.gz LKBYRTQEILESNY-UHFFFAOYSA-N 2 0 372.557 3.346 20 0 FGADRP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCCCC[NH+](C)C2CC2)C1 ZINC000454481771 501556118 /nfs/dbraw/zinc/55/61/18/501556118.db2.gz IMCFFSYQSKKCOT-KRWDZBQOSA-N 2 0 352.567 3.061 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)NCCCC[NH+](C)C2CC2)C1 ZINC000459149632 501604059 /nfs/dbraw/zinc/60/40/59/501604059.db2.gz GLZQJPAPDQEACW-MOPGFXCFSA-N 2 0 364.578 3.157 20 0 FGADRP C[N@H+](Cc1ccccc1)CC(C)(C)NC(=O)NCc1ccc2c[nH+]cn2c1 ZINC000459196683 501611932 /nfs/dbraw/zinc/61/19/32/501611932.db2.gz CFHVOUNLNPLNAS-UHFFFAOYSA-N 2 0 365.481 3.044 20 0 FGADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457067691 501644228 /nfs/dbraw/zinc/64/42/28/501644228.db2.gz LBSDWCYSIXPBKA-ZDUSSCGKSA-N 2 0 351.457 3.028 20 0 FGADRP O[C@@]1(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)CCC[C@@H](C(F)(F)F)C1 ZINC000459518440 501668310 /nfs/dbraw/zinc/66/83/10/501668310.db2.gz RIUILFXHEIFIQS-PBHICJAKSA-N 2 0 357.420 3.124 20 0 FGADRP C[NH+]1CCC([C@H]2CC[N@H+](Cc3cccc(O)c3Br)C2)CC1 ZINC000459551275 501675253 /nfs/dbraw/zinc/67/52/53/501675253.db2.gz NACLOEFPJFPJBS-AWEZNQCLSA-N 2 0 353.304 3.318 20 0 FGADRP CN(c1ccccc1C[N@@H+]1CC2(CCC2)[C@@H]2COC[C@H]21)C1CC[NH+](C)CC1 ZINC000459693712 501700056 /nfs/dbraw/zinc/70/00/56/501700056.db2.gz ZUHNKSJIECJOFB-IFMALSPDSA-N 2 0 369.553 3.218 20 0 FGADRP C[C@@H](CCCCN1C(=O)c2ccccc2C1=O)[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000459796019 501715400 /nfs/dbraw/zinc/71/54/00/501715400.db2.gz VXSZYZTURDCXLP-ROUUACIJSA-N 2 0 371.525 3.163 20 0 FGADRP Cc1ccc([C@H](CNC(=O)C2(C[NH+](C)C)CCCCC2)[NH+]2CCCC2)o1 ZINC000460185921 501752439 /nfs/dbraw/zinc/75/24/39/501752439.db2.gz BBXLDGXWFXXNNU-SFHVURJKSA-N 2 0 361.530 3.353 20 0 FGADRP CCCN(CC[NH+]1CCCCCC1)C(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000460248188 501770642 /nfs/dbraw/zinc/77/06/42/501770642.db2.gz SMGDKGYYGDBVSQ-FQEVSTJZSA-N 2 0 366.594 3.404 20 0 FGADRP CC[NH+](CC)C[C@H]1CCCC[C@H]1NC(=O)c1ccc2c(c1)CC[NH2+]CC2 ZINC000474291456 501777986 /nfs/dbraw/zinc/77/79/86/501777986.db2.gz GXHRQXWQGYKGDG-NHCUHLMSSA-N 2 0 357.542 3.005 20 0 FGADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]CCN2CCc3ccccc3C2=O)CC1 ZINC000467367754 501779100 /nfs/dbraw/zinc/77/91/00/501779100.db2.gz ZTZGHMWVFKFIOX-GCJKJVERSA-N 2 0 369.553 3.318 20 0 FGADRP C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC000460286512 501780961 /nfs/dbraw/zinc/78/09/61/501780961.db2.gz FRKIGLZBNVAAOH-OALUTQOASA-N 2 0 351.579 3.373 20 0 FGADRP CCN(CC[NH+]1CCCCCC1)C(=O)NC1CC[NH+](CC(C)C)CC1 ZINC000477860141 501811595 /nfs/dbraw/zinc/81/15/95/501811595.db2.gz WFWRPRRCIOPUBI-UHFFFAOYSA-N 2 0 352.567 3.014 20 0 FGADRP COc1ccc(Cl)cc1C1(C[NH2+][C@@H]2CC[N@H+](C)C[C@H]2C)CCOCC1 ZINC000481557318 501813850 /nfs/dbraw/zinc/81/38/50/501813850.db2.gz ABDMHSDFPPGOFG-CRAIPNDOSA-N 2 0 366.933 3.327 20 0 FGADRP CC[NH+](CC)CCNC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000485445442 501823173 /nfs/dbraw/zinc/82/31/73/501823173.db2.gz QEAMQFSOUUSBRM-RTWAWAEBSA-N 2 0 372.557 3.024 20 0 FGADRP C[C@@H](C(=O)NC1CCCC1)[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000485493223 501837521 /nfs/dbraw/zinc/83/75/21/501837521.db2.gz SEUPCXUDUCSRBO-IBGZPJMESA-N 2 0 369.553 3.422 20 0 FGADRP CC[C@]1(C(=O)N2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)CCC[NH2+]1 ZINC000467697351 501847409 /nfs/dbraw/zinc/84/74/09/501847409.db2.gz XVXWYYVQZBMPTN-FGZHOGPDSA-N 2 0 355.526 3.033 20 0 FGADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@H]1C[C@@]12CCCc1ccccc12 ZINC000478082208 501876019 /nfs/dbraw/zinc/87/60/19/501876019.db2.gz FXYZEVGKLSHRBY-FYYLOGMGSA-N 2 0 371.569 3.013 20 0 FGADRP Cc1ccncc1C[NH2+]CCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000474603333 501890412 /nfs/dbraw/zinc/89/04/12/501890412.db2.gz OSIJOVMBBADPRE-UHFFFAOYSA-N 2 0 352.526 3.078 20 0 FGADRP CCC(CC)[C@H](CNC(=O)N1CC[C@H]([NH+]2CCCC2)[C@H]1C)[NH+]1CCCC1 ZINC000478175460 501900922 /nfs/dbraw/zinc/90/09/22/501900922.db2.gz LAEXBFKTEKLJRU-HOJAQTOUSA-N 2 0 364.578 3.155 20 0 FGADRP CCC(CC)[C@H](CNC(=O)N1CC[C@@H]([NH+]2CCCC2)[C@H]1C)[NH+]1CCCC1 ZINC000478175467 501901490 /nfs/dbraw/zinc/90/14/90/501901490.db2.gz LAEXBFKTEKLJRU-RLLQIKCJSA-N 2 0 364.578 3.155 20 0 FGADRP CC(C)C[C@H](CNC(=O)N1CCC[C@@H]([NH+](C)C)C1)[NH2+][C@H](C)c1ccccc1 ZINC000468029093 501934622 /nfs/dbraw/zinc/93/46/22/501934622.db2.gz JTVQBWUAHHKCJN-HMXCVIKNSA-N 2 0 374.573 3.488 20 0 FGADRP Cc1cc(NC(=O)C[NH+]2CCC(C)CC2)cc(N2CC[NH+](C(C)C)CC2)c1 ZINC000482033345 501953073 /nfs/dbraw/zinc/95/30/73/501953073.db2.gz OCTATLYUOBLGOK-UHFFFAOYSA-N 2 0 372.557 3.196 20 0 FGADRP CC[NH+](CC)[C@@H](C(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1)c1ccccc1 ZINC000464352760 501963791 /nfs/dbraw/zinc/96/37/91/501963791.db2.gz CYOXGCKCMLTPAC-LEWJYISDSA-N 2 0 357.542 3.450 20 0 FGADRP COC[C@H]([NH2+][C@@H](C)CCN1CC[NH+](C)CC1)c1cccc(C(F)(F)F)c1 ZINC000471600065 502081504 /nfs/dbraw/zinc/08/15/04/502081504.db2.gz ZCBVGRWTPQNDTD-YJBOKZPZSA-N 2 0 373.463 3.009 20 0 FGADRP Cc1cccc([C@@H](C)[NH2+]CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)c1C ZINC000475157686 502085292 /nfs/dbraw/zinc/08/52/92/502085292.db2.gz PMCAIERRGAYBSV-WIYYLYMNSA-N 2 0 353.510 3.373 20 0 FGADRP Cc1ccc(C[N@H+]2CCCN(C(=O)C[NH2+][C@H]3CCCC[C@@H]3C)CC2)cc1 ZINC000475157362 502085864 /nfs/dbraw/zinc/08/58/64/502085864.db2.gz YOTIBRMZRFYRIM-FPOVZHCZSA-N 2 0 357.542 3.198 20 0 FGADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N1CC[C@H]([NH+]2CCCC2)[C@@H]1C ZINC000478829288 502099307 /nfs/dbraw/zinc/09/93/07/502099307.db2.gz JLPOQQXRUJOWHL-RXVVDRJESA-N 2 0 372.557 3.295 20 0 FGADRP C[N@@H+]1CCCN(CCC[NH2+][C@H]2CCc3cc(Br)ccc32)CC1 ZINC000482549953 502107782 /nfs/dbraw/zinc/10/77/82/502107782.db2.gz IJBMSNSNMDQMIR-SFHVURJKSA-N 2 0 366.347 3.054 20 0 FGADRP CCC[C@H]([NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1ccc(Cl)cc1 ZINC000482556307 502109983 /nfs/dbraw/zinc/10/99/83/502109983.db2.gz JMSMHCJBYNDNFG-WMZOPIPTSA-N 2 0 351.922 3.358 20 0 FGADRP C[C@H](C(=O)N1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000461429403 502111192 /nfs/dbraw/zinc/11/11/92/502111192.db2.gz OAKJDMQRUKKGOE-NGVUMRSOSA-N 2 0 369.553 3.228 20 0 FGADRP O=C(NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)[C@@H](C1CC1)[NH+]1CCCC1 ZINC000461467839 502126125 /nfs/dbraw/zinc/12/61/25/502126125.db2.gz VQXLFNHWTVYABB-RBBKRZOGSA-N 2 0 369.553 3.279 20 0 FGADRP CC[NH+](CC)[C@H](C)CNC(=O)NC[C@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC000471773452 502133462 /nfs/dbraw/zinc/13/34/62/502133462.db2.gz RGSAQAHFTZCHPH-UYAOXDASSA-N 2 0 360.546 3.161 20 0 FGADRP C[C@@H]1CCC[C@@H](C)C1[NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000482634274 502134083 /nfs/dbraw/zinc/13/40/83/502134083.db2.gz SFQCDRUXFLOTDB-MBOZVWFJSA-N 2 0 357.542 3.298 20 0 FGADRP CC[C@H](CSc1ccc(Cl)cc1)[NH2+]CCCN1CCC[C@@H]1C(N)=O ZINC000482634881 502134343 /nfs/dbraw/zinc/13/43/43/502134343.db2.gz JQUMKMPFUAZPIL-NVXWUHKLSA-N 2 0 369.962 3.140 20 0 FGADRP CC(C)[C@@H]1CN(C(=O)N[C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)CC[N@@H+]1C ZINC000486496503 502171402 /nfs/dbraw/zinc/17/14/02/502171402.db2.gz QTFWEMQIFCAELG-GIVPXCGWSA-N 2 0 372.557 3.021 20 0 FGADRP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@@H](C[NH3+])c2ccc(F)cc2)CC1 ZINC000479223104 502197421 /nfs/dbraw/zinc/19/74/21/502197421.db2.gz LFGSRSNJFZPADW-KKSFZXQISA-N 2 0 369.484 3.210 20 0 FGADRP COC(=O)c1ccc(-c2nc(CN3CCC[C@@H](n4ccnc4)C3)co2)cc1 ZINC000611782159 506301341 /nfs/dbraw/zinc/30/13/41/506301341.db2.gz WGYBTDRQCNOUAH-GOSISDBHSA-N 2 0 366.421 3.162 20 0 FGADRP CC[NH+](CC)CCOc1ccc(C(=O)N2CCC3(CC[NH2+]CC3)CC2)cc1 ZINC000479297797 502217104 /nfs/dbraw/zinc/21/71/04/502217104.db2.gz XDQFKGCZQHIZCV-UHFFFAOYSA-N 2 0 373.541 3.013 20 0 FGADRP CC[NH+](CC)CCOc1ccc(C[NH2+][C@H]2CCCc3nn(C)cc32)cc1 ZINC000479335514 502228253 /nfs/dbraw/zinc/22/82/53/502228253.db2.gz MDPZQLVQUXNMRP-FQEVSTJZSA-N 2 0 356.514 3.308 20 0 FGADRP C[C@H](CCCCN1C(=O)c2ccccc2C1=O)[NH2+]CC(C)(C)C[NH+](C)C ZINC000472140252 502245946 /nfs/dbraw/zinc/24/59/46/502245946.db2.gz NEEMKZMXOMJIEE-MRXNPFEDSA-N 2 0 359.514 3.019 20 0 FGADRP Cn1cc2c(n1)CCC[C@H]2[NH2+]CCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000479404373 502248789 /nfs/dbraw/zinc/24/87/89/502248789.db2.gz DDPCMNYPDWYZSE-OAQYLSRUSA-N 2 0 368.525 3.104 20 0 FGADRP CC[NH+]1CCC(NC(=O)C[NH+]2CCC(c3cccc(Cl)c3)CC2)CC1 ZINC000483106043 502273542 /nfs/dbraw/zinc/27/35/42/502273542.db2.gz STKJKRNYTSIPJE-UHFFFAOYSA-N 2 0 363.933 3.120 20 0 FGADRP CC[NH+](CC)[C@H](C)CN[C@H](c1ccc(Cl)cc1)[C@H]1CN(C)CCO1 ZINC000479490594 502275509 /nfs/dbraw/zinc/27/55/09/502275509.db2.gz STAYKLWQMNOAMR-ATZDWAIDSA-N 2 0 353.938 3.032 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H]2CCCN(c3ccccc3)C2)[C@H](C)C1 ZINC000483126123 502282257 /nfs/dbraw/zinc/28/22/57/502282257.db2.gz BQUDJADNPFJEKG-URVUXULASA-N 2 0 359.558 3.382 20 0 FGADRP CC[C@H](C)[N@H+](C)CCNC(=O)N1CCC(CC[NH+]2CCCC[C@H]2C)CC1 ZINC000479526242 502286601 /nfs/dbraw/zinc/28/66/01/502286601.db2.gz KRJOEPVCVCSBRF-RBUKOAKNSA-N 2 0 366.594 3.403 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)NCc1ccccc1C[NH+]1CCC[C@H](C)C1 ZINC000465579868 502313886 /nfs/dbraw/zinc/31/38/86/502313886.db2.gz VUYVGICNONQHCE-GHTZIAJQSA-N 2 0 372.557 3.202 20 0 FGADRP NC(=O)c1csc(C[N@@H+]2CCCC[C@@H]2[C@@H](C[NH3+])Cc2ccccc2)c1 ZINC000472353931 502326327 /nfs/dbraw/zinc/32/63/27/502326327.db2.gz HEVYFDSPLMYFME-VQIMIIECSA-N 2 0 357.523 3.019 20 0 FGADRP CN(C)[C@@H](C(=O)N1CCC[C@@H](Cc2nccn2C)C1)c1cccc(Cl)c1 ZINC000483269904 502334149 /nfs/dbraw/zinc/33/41/49/502334149.db2.gz OGVOJSPPQQIZJU-HNAYVOBHSA-N 2 0 374.916 3.158 20 0 FGADRP CC(C)CNC(=O)c1cccc(CN2CC[C@H](C[N@H+](C)CC3CC3)C2)c1 ZINC000472457766 502357104 /nfs/dbraw/zinc/35/71/04/502357104.db2.gz UTKJBSHZUMVYLZ-HXUWFJFHSA-N 2 0 357.542 3.236 20 0 FGADRP CC1CC[NH+]([C@H](CNC(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)c2ccccc2)CC1 ZINC000465721453 502360092 /nfs/dbraw/zinc/36/00/92/502360092.db2.gz KGYFMGUKBQXRQJ-HLAWJBBLSA-N 2 0 372.557 3.242 20 0 FGADRP CCC[C@H]([NH2+]C(C)C)C(=O)N[C@@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21 ZINC000479835506 502392356 /nfs/dbraw/zinc/39/23/56/502392356.db2.gz BBCXIEXMQNNEQP-RBUKOAKNSA-N 2 0 373.541 3.258 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000465813832 502392903 /nfs/dbraw/zinc/39/29/03/502392903.db2.gz OSGVWIDCZVIKBB-OAQYLSRUSA-N 2 0 372.557 3.346 20 0 FGADRP CCC(C)(C)NC(=O)CN1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000483511977 502415765 /nfs/dbraw/zinc/41/57/65/502415765.db2.gz KOCFQNOAXIPPGU-VQTJNVASSA-N 2 0 357.542 3.278 20 0 FGADRP CCC(C)(C)NC(=O)CN1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000483511975 502416177 /nfs/dbraw/zinc/41/61/77/502416177.db2.gz KOCFQNOAXIPPGU-PMACEKPBSA-N 2 0 357.542 3.278 20 0 FGADRP CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)N[C@H](C)C1=CC[NH+](C)CC1 ZINC000469433666 502416226 /nfs/dbraw/zinc/41/62/26/502416226.db2.gz HAFBNRAVDWZWBP-WIYYLYMNSA-N 2 0 372.557 3.093 20 0 FGADRP CC[C@H](Cc1ccccc1)NC(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@@H+]1CC ZINC000465944272 502434665 /nfs/dbraw/zinc/43/46/65/502434665.db2.gz XOPWVFLAOWGBNR-RTWAWAEBSA-N 2 0 374.573 3.065 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@H](C)Oc2ccccc2F)[C@@H](C)C1 ZINC000483617983 502444609 /nfs/dbraw/zinc/44/46/09/502444609.db2.gz SMMULFBDLJROEI-SCTDSRPQSA-N 2 0 352.494 3.320 20 0 FGADRP C[C@@H]1C[C@H](NC(=O)N(C)[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)CC[N@@H+]1C ZINC000466030879 502459154 /nfs/dbraw/zinc/45/91/54/502459154.db2.gz DESPVTYPXONRSX-KOUHRCEDSA-N 2 0 372.557 3.164 20 0 FGADRP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000466041103 502464208 /nfs/dbraw/zinc/46/42/08/502464208.db2.gz WCLCCOBXBDDQDV-TYPHKJRUSA-N 2 0 372.557 3.023 20 0 FGADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)NCCC[NH+](C)C2CCCCC2)C[C@H]1C ZINC000483700257 502467196 /nfs/dbraw/zinc/46/71/96/502467196.db2.gz JZNDNSFNMDABHP-IEBWSBKVSA-N 2 0 352.567 3.155 20 0 FGADRP CCC(CC)[C@H](CNC(=O)N(C)[C@H]1CC[N@H+](CC)[C@H](C)C1)[NH+]1CCCC1 ZINC000483709975 502470975 /nfs/dbraw/zinc/47/09/75/502470975.db2.gz LCYWLBJSHIRRTJ-HOJAQTOUSA-N 2 0 366.594 3.401 20 0 FGADRP CC[N@H+](C)Cc1cccc(CNC(=O)N(C)[C@H]2CC[NH+](CC)[C@H](C)C2)c1 ZINC000483744856 502482094 /nfs/dbraw/zinc/48/20/94/502482094.db2.gz KPYUCHXNEAXQHG-XLIONFOSSA-N 2 0 360.546 3.153 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H]1CC[C@H]2CCC[C@H]2C1 ZINC000466154550 502491530 /nfs/dbraw/zinc/49/15/30/502491530.db2.gz TUYKJWHISSBZFI-IYWMVGAKSA-N 2 0 364.578 3.013 20 0 FGADRP CCC[N@H+](CC)C[C@@H](C)NC(=O)N1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000462617573 502509647 /nfs/dbraw/zinc/50/96/47/502509647.db2.gz LHSKAEJWJPAAMV-AQNXPRMDSA-N 2 0 366.594 3.403 20 0 FGADRP COC(=O)[C@@H](c1ccccc1C)[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000466233975 502511924 /nfs/dbraw/zinc/51/19/24/502511924.db2.gz YGNUWHHBHXPEDP-OAQYLSRUSA-N 2 0 367.493 3.453 20 0 FGADRP C[C@H]([NH2+]CCN1CCc2ccccc2C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000480256639 502514574 /nfs/dbraw/zinc/51/45/74/502514574.db2.gz LKVKVGFPYVOBPT-IBGZPJMESA-N 2 0 367.537 3.336 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](CCC(=O)Nc2cccnc2)CC1 ZINC000483952913 502530721 /nfs/dbraw/zinc/53/07/21/502530721.db2.gz IHMSXSKTRTUXBK-GOSISDBHSA-N 2 0 358.530 3.387 20 0 FGADRP CC[NH+](CC)CC1CCN(C(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)CC1 ZINC000466303857 502533230 /nfs/dbraw/zinc/53/32/30/502533230.db2.gz ZJQODFYTORHIQX-FQEVSTJZSA-N 2 0 364.578 3.014 20 0 FGADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)N2CC[NH+](C3CCC3)C[C@H](C)C2)C1 ZINC000487850399 502547710 /nfs/dbraw/zinc/54/77/10/502547710.db2.gz KXUMYVRTFWVFMH-MOPGFXCFSA-N 2 0 364.578 3.014 20 0 FGADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]C[C@](C)(Cc1ccccc1)[C@@H](C)O ZINC000480454068 502573152 /nfs/dbraw/zinc/57/31/52/502573152.db2.gz MVXQVHFTLNTTBO-GCJKJVERSA-N 2 0 364.493 3.295 20 0 FGADRP C[C@@H](CCc1ccsc1)[NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000462789629 502574877 /nfs/dbraw/zinc/57/48/77/502574877.db2.gz KIGOYRXINZMRMK-INIZCTEOSA-N 2 0 359.539 3.150 20 0 FGADRP CC[NH+]1CCN(c2ccccc2C[NH2+]C[C@@]2(C)CCO[C@H]2C2CC2)CC1 ZINC000466475415 502580824 /nfs/dbraw/zinc/58/08/24/502580824.db2.gz SYRASJGXHHGEBQ-FCHUYYIVSA-N 2 0 357.542 3.123 20 0 FGADRP CCNC(=O)[C@H](C)[NH2+][C@@H](CCC[NH+]1CCC(C)CC1)c1ccc(F)cc1 ZINC000462808667 502582220 /nfs/dbraw/zinc/58/22/20/502582220.db2.gz DZNWJBWOXLTIRR-PXNSSMCTSA-N 2 0 363.521 3.493 20 0 FGADRP CC[NH+](CC)CCOc1ccccc1-c1noc([C@@H]2C[N@H+](C)C[C@@H]2C)n1 ZINC000462824288 502588056 /nfs/dbraw/zinc/58/80/56/502588056.db2.gz DTWCBUJUZPYWPK-DOTOQJQBSA-N 2 0 358.486 3.122 20 0 FGADRP C[C@H](NC(=O)NC1CC[NH+](C(C)(C)C)CC1)[C@@H](c1ccccc1)[NH+](C)C ZINC000484345878 502630369 /nfs/dbraw/zinc/63/03/69/502630369.db2.gz WWHSUDCWHBARFR-LPHOPBHVSA-N 2 0 360.546 3.240 20 0 FGADRP Cc1ccccc1[C@@H]([C@@H](C)NC(=O)NCCC[NH+]1CCCCC1)[NH+](C)C ZINC000476984060 502641699 /nfs/dbraw/zinc/64/16/99/502641699.db2.gz PZVVDDAUKFCHBH-UYAOXDASSA-N 2 0 360.546 3.161 20 0 FGADRP C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000476992049 502644556 /nfs/dbraw/zinc/64/45/56/502644556.db2.gz QWKOAHKCICCUPK-NQIIRXRSSA-N 2 0 370.541 3.051 20 0 FGADRP C[C@H](C[NH2+][C@H](C)[C@@H](c1ccccc1)N1CCOCC1)C[NH+]1CCCCC1 ZINC000480705243 502648441 /nfs/dbraw/zinc/64/84/41/502648441.db2.gz QJKJDZVQIBDNOG-SJBKTWHCSA-N 2 0 359.558 3.160 20 0 FGADRP Cc1ccc([C@@H](CNC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)[NH+](C)C)cc1 ZINC000480725585 502653616 /nfs/dbraw/zinc/65/36/16/502653616.db2.gz YPNZTPULAKUQPO-TZIWHRDSSA-N 2 0 357.542 3.369 20 0 FGADRP C[NH+](C)CC1CC[NH+]([C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)CC1 ZINC000480759062 502662972 /nfs/dbraw/zinc/66/29/72/502662972.db2.gz GOOYOHNKWZLCHX-QGZVFWFLSA-N 2 0 370.324 3.372 20 0 FGADRP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)NC[C@@H](C2CC2)[N@H+](C)Cc2ccccc2)C1 ZINC000477192583 502703928 /nfs/dbraw/zinc/70/39/28/502703928.db2.gz KJUGEVBFXZMGJP-NJYVYQBISA-N 2 0 372.557 3.069 20 0 FGADRP C[C@@H]1CN(CCC[NH2+][C@@H]2CCN(Cc3ccccc3)[C@H](C)C2)C[C@H](C)O1 ZINC000463137482 502704300 /nfs/dbraw/zinc/70/43/00/502704300.db2.gz QZQIGPFNEDAFCY-XWSHUIEDSA-N 3 0 359.558 3.128 20 0 FGADRP CCN1CC[NH+](CCCC[NH2+][C@@H]2CCN(Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000463137906 502704717 /nfs/dbraw/zinc/70/47/17/502704717.db2.gz AKZUSAAZSZVXJN-JTHBVZDNSA-N 2 0 372.601 3.047 20 0 FGADRP CC[NH+](CC)CC1CC[NH+]([C@H](C)C(=O)N[C@H]2CCOc3ccccc32)CC1 ZINC000488402913 502705018 /nfs/dbraw/zinc/70/50/18/502705018.db2.gz ASXYKUWDQRKKST-XLIONFOSSA-N 2 0 373.541 3.069 20 0 FGADRP CC(C)(C)[C@H]1C[C@H]([NH2+]CCCN2CCN(c3cc[nH+]cc3)CC2)CS1 ZINC000488415907 502708244 /nfs/dbraw/zinc/70/82/44/502708244.db2.gz JLQLNSIXLBZPGR-PKOBYXMFSA-N 2 0 362.587 3.104 20 0 FGADRP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N1CCC(C[NH+](C)C)CC1 ZINC000470293480 502727397 /nfs/dbraw/zinc/72/73/97/502727397.db2.gz RAMWGLQZFWBMGX-NRFANRHFSA-N 2 0 374.573 3.126 20 0 FGADRP Cc1ccccc1[C@H]([C@@H](C)NC(=O)NC[C@H](C)C[NH+]1CCCC1)[NH+](C)C ZINC000481030371 502734675 /nfs/dbraw/zinc/73/46/75/502734675.db2.gz FNLVGOPKCPZYPB-HQRMLTQVSA-N 2 0 360.546 3.017 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)NCCC[NH2+]C1CCCCC1 ZINC000463271124 502742004 /nfs/dbraw/zinc/74/20/04/502742004.db2.gz IOCFWVRHQKWTMA-WIYYLYMNSA-N 2 0 372.557 3.119 20 0 FGADRP O=C(CC1CCCC1)NCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000463295065 502748087 /nfs/dbraw/zinc/74/80/87/502748087.db2.gz IBPVZYOGMUGPFG-FRIKZZABSA-N 2 0 369.553 3.468 20 0 FGADRP CN1CC[NH+](CC2(C)CC[NH+](Cc3cc4ccc(F)cc4[nH]3)CC2)CC1 ZINC000488580237 502756519 /nfs/dbraw/zinc/75/65/19/502756519.db2.gz HRDBFYAEGKIBPI-UHFFFAOYSA-N 2 0 358.505 3.157 20 0 FGADRP COc1ccc([C@H](CNC(=O)C[N@@H+]2CC[C@H](C)[C@H]2C)[NH+]2CCCCC2)cc1 ZINC000484933321 502781052 /nfs/dbraw/zinc/78/10/52/502781052.db2.gz GXPXJVXNWOLTKC-UEXGIBASSA-N 2 0 373.541 3.069 20 0 FGADRP C[NH+]1CCC(Nc2ccccc2NC(=O)c2ccc3c(c2)C[NH2+]C3)CC1 ZINC000470457137 502782503 /nfs/dbraw/zinc/78/25/03/502782503.db2.gz YFYJCJHGSSBPOE-UHFFFAOYSA-N 2 0 350.466 3.048 20 0 FGADRP CC(C)[NH+](CCCNC(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1)C(C)C ZINC000470475862 502788794 /nfs/dbraw/zinc/78/87/94/502788794.db2.gz IEUWELGNHQJBOJ-IBGZPJMESA-N 2 0 352.567 3.059 20 0 FGADRP CC[C@@H](OCC[N@@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1)c1ccccc1 ZINC000593013714 506336583 /nfs/dbraw/zinc/33/65/83/506336583.db2.gz SUWMVKMSUSFMNI-FGZHOGPDSA-N 2 0 359.558 3.255 20 0 FGADRP O=C([C@H]1CCCC[N@@H+]1Cc1ccccc1)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000495669948 502856291 /nfs/dbraw/zinc/85/62/91/502856291.db2.gz QBNIAXJNDDKVKS-LEWJYISDSA-N 2 0 355.526 3.032 20 0 FGADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)NCCC[NH+](C)C1CCCCC1 ZINC000500840091 502874762 /nfs/dbraw/zinc/87/47/62/502874762.db2.gz POWJVQXWCBCCJN-GOSISDBHSA-N 2 0 352.567 3.205 20 0 FGADRP CCC[C@@H]([NH2+]C(C)C)C(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000509403521 502893598 /nfs/dbraw/zinc/89/35/98/502893598.db2.gz CKYFKPXLMUTIBU-UYSNPLJNSA-N 2 0 363.468 3.075 20 0 FGADRP C[C@@H]1CCCC[C@H]1N(C)C(=O)C[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501023699 502914367 /nfs/dbraw/zinc/91/43/67/502914367.db2.gz UNBIUPMITFQCBF-WIYYLYMNSA-N 2 0 372.557 3.267 20 0 FGADRP C[C@@H]1CC[N@H+](CCOc2ccc(NC(=O)[C@@H]([NH3+])c3ccccc3)cc2)C1 ZINC000497298235 502930480 /nfs/dbraw/zinc/93/04/80/502930480.db2.gz XYUNVEYDKXHZFY-UZLBHIALSA-N 2 0 353.466 3.046 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)NCC[NH+]1CCC(C)CC1)c1ccsc1 ZINC000501162386 502951814 /nfs/dbraw/zinc/95/18/14/502951814.db2.gz JRFNOBNQKOXPDE-GOSISDBHSA-N 2 0 366.575 3.162 20 0 FGADRP CNC(=O)c1ccc(C[NH2+]CC[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)cc1 ZINC000513510939 502956129 /nfs/dbraw/zinc/95/61/29/502956129.db2.gz GRGNBZWIXGDAPU-NQIIRXRSSA-N 2 0 365.521 3.437 20 0 FGADRP C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)c1cccc(C[NH+](C)Cc2ccccc2)c1 ZINC000509655045 502958571 /nfs/dbraw/zinc/95/85/71/502958571.db2.gz UVBFPAIMCWGTBM-RTBURBONSA-N 2 0 365.521 3.483 20 0 FGADRP O=C(NCC1([NH+]2CCCCC2)CCCCC1)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000505703227 502970028 /nfs/dbraw/zinc/97/00/28/502970028.db2.gz MMASCMYCBMGPFC-RBUKOAKNSA-N 2 0 362.562 3.101 20 0 FGADRP C[C@H]1CCCC[N@@H+]1CCCNC(=O)NC[C@@H](C1CCCCC1)[NH+](C)C ZINC000501350937 502989759 /nfs/dbraw/zinc/98/97/59/502989759.db2.gz YKQMOZJDSSINOS-HKUYNNGSSA-N 2 0 352.567 3.061 20 0 FGADRP CCC[NH+]1CCC(NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000489613826 502998762 /nfs/dbraw/zinc/99/87/62/502998762.db2.gz TVZKXLMJAALQSQ-WIYYLYMNSA-N 2 0 372.557 3.071 20 0 FGADRP C[NH+](C)CCOc1ccccc1C(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000497618176 503001452 /nfs/dbraw/zinc/00/14/52/503001452.db2.gz FFWJCKLDMFIGQA-UHFFFAOYSA-N 2 0 373.541 3.011 20 0 FGADRP CC(C)CN(C(=O)C[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1)C1CC1 ZINC000489634162 503001959 /nfs/dbraw/zinc/00/19/59/503001959.db2.gz MHBVRGMIULAGQH-UHFFFAOYSA-N 2 0 371.569 3.477 20 0 FGADRP CC(C)C[C@H](CNC(=O)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1)[NH+](C)C ZINC000509936288 503014712 /nfs/dbraw/zinc/01/47/12/503014712.db2.gz AWHIGIGMPDDPAN-UYAOXDASSA-N 2 0 363.521 3.130 20 0 FGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+][C@@H](C)COC(C)C)CC1 ZINC000501473832 503015815 /nfs/dbraw/zinc/01/58/15/503015815.db2.gz HRRWSXALXBQARM-IRXDYDNUSA-N 2 0 351.510 3.432 20 0 FGADRP CC(C)[NH+]1CCN(C(=O)NCc2ccccc2C[NH+]2CCCCCC2)CC1 ZINC000497703893 503020260 /nfs/dbraw/zinc/02/02/60/503020260.db2.gz MTJVPKRATCHPLH-UHFFFAOYSA-N 2 0 372.557 3.298 20 0 FGADRP C[NH+](C)[C@@H](CNC(=O)NCCC[N@H+](C)C1CCCCC1)c1ccsc1 ZINC000501495610 503021456 /nfs/dbraw/zinc/02/14/56/503021456.db2.gz PGWRDVOKZZYBLL-SFHVURJKSA-N 2 0 366.575 3.305 20 0 FGADRP C[NH+](C)[C@H]1CCC[C@@H](NC(=O)N2CCC[N@H+](CC3CCCCC3)CC2)C1 ZINC000489793514 503036468 /nfs/dbraw/zinc/03/64/68/503036468.db2.gz CUNBAJZQDVGERC-UXHICEINSA-N 2 0 364.578 3.157 20 0 FGADRP CCC1(C[NH2+][C@H](C(N)=O)c2ccccc2)CC[NH+](Cc2ccccc2)CC1 ZINC000513871959 503040015 /nfs/dbraw/zinc/04/00/15/503040015.db2.gz AFKQJZUPIMZXIP-NRFANRHFSA-N 2 0 365.521 3.495 20 0 FGADRP CC(C)[NH+](CCNC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)C(C)C ZINC000489829817 503044171 /nfs/dbraw/zinc/04/41/71/503044171.db2.gz JPYKCRDKQDXMFY-TZIWHRDSSA-N 2 0 374.573 3.315 20 0 FGADRP CC(C)[NH+](CCNC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)C(C)C ZINC000489829816 503044287 /nfs/dbraw/zinc/04/42/87/503044287.db2.gz JPYKCRDKQDXMFY-PZJWPPBQSA-N 2 0 374.573 3.315 20 0 FGADRP [NH3+]CC[C@@H]1CCCCN1Cc1cnn(-c2ccc(Br)cc2)c1 ZINC000489991528 503084232 /nfs/dbraw/zinc/08/42/32/503084232.db2.gz UNIRDUNFGUEDMQ-INIZCTEOSA-N 2 0 363.303 3.338 20 0 FGADRP CC1CC[NH+](CCCNC(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)CC1 ZINC000501849693 503093812 /nfs/dbraw/zinc/09/38/12/503093812.db2.gz KSVYOSDNCOVULY-OAQYLSRUSA-N 2 0 372.557 3.245 20 0 FGADRP C[C@@H]1CCCC[NH+]1CCCCNC(=O)NCC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC000514126707 503094561 /nfs/dbraw/zinc/09/45/61/503094561.db2.gz LHSXEFYMXUAECS-RBUKOAKNSA-N 2 0 366.594 3.451 20 0 FGADRP CCCN(CC[NH+]1CCCC1)C(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000501856513 503095062 /nfs/dbraw/zinc/09/50/62/503095062.db2.gz JPLVJOWZOGFTQB-RBUKOAKNSA-N 2 0 364.578 3.157 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)N1CCCC12CC[NH+](C)CC2)c1ccccc1 ZINC000510383355 503103754 /nfs/dbraw/zinc/10/37/54/503103754.db2.gz WSEAMVIZWQXJTK-FQEVSTJZSA-N 2 0 372.557 3.339 20 0 FGADRP CC[N@H+](C)[C@@H](C(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C)c1ccccc1 ZINC000490116334 503111508 /nfs/dbraw/zinc/11/15/08/503111508.db2.gz DJRNHYAGPGVKDB-VQTJNVASSA-N 2 0 357.473 3.238 20 0 FGADRP Cc1ccc([C@@H](CNC(=O)NCC[N@H+]2CCCC[C@@H]2C)[NH+]2CCCC2)cc1 ZINC000514229270 503119406 /nfs/dbraw/zinc/11/94/06/503119406.db2.gz PFLSFTAOAUHVRG-PZJWPPBQSA-N 2 0 372.557 3.306 20 0 FGADRP CC(C)Cn1ccnc1CNC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C ZINC000498155391 503119760 /nfs/dbraw/zinc/11/97/60/503119760.db2.gz JHDYLEMHSPKNRW-IEBWSBKVSA-N 2 0 369.513 3.001 20 0 FGADRP C[C@H](CNC(=O)NCCC[N@H+](C)C1CCCCC1)[NH+]1CCC(C)CC1 ZINC000514241228 503123675 /nfs/dbraw/zinc/12/36/75/503123675.db2.gz JBQQYTZKPAERPO-GOSISDBHSA-N 2 0 352.567 3.061 20 0 FGADRP C[C@@H](CNC(=O)N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)[NH+]1CCCC[C@H]1C ZINC000510510703 503129662 /nfs/dbraw/zinc/12/96/62/503129662.db2.gz IUIPOWAHUTVCMX-XWSJACJDSA-N 2 0 364.578 3.202 20 0 FGADRP Cc1ccccc1[C@H]([C@@H](C)NC(=O)c1ccc(C[NH+](C)C)cc1)[NH+](C)C ZINC000510538944 503138086 /nfs/dbraw/zinc/13/80/86/503138086.db2.gz LRIOKLUAPWGQSW-UTKZUKDTSA-N 2 0 353.510 3.478 20 0 FGADRP CC[NH+](CC)Cc1ccc(CNC(=O)N2C[C@H](C)[N@H+](CC)C[C@H]2C)cc1 ZINC000498250035 503142487 /nfs/dbraw/zinc/14/24/87/503142487.db2.gz HAEBJCZSHOFTNR-ZWKOTPCHSA-N 2 0 360.546 3.153 20 0 FGADRP CC[N@@H+]1C[C@H](C)N(C(=O)N[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C)C[C@H]1C ZINC000498264017 503146338 /nfs/dbraw/zinc/14/63/38/503146338.db2.gz GMHNDNJTJIDJRB-WERVVEIQSA-N 2 0 372.557 3.021 20 0 FGADRP C[NH2+]CCC1CC[NH+]([C@H]2CCN(c3ccccc3C(F)(F)F)C2=O)CC1 ZINC000514726992 503178697 /nfs/dbraw/zinc/17/86/97/503178697.db2.gz LBADGGHHHISQNF-KRWDZBQOSA-N 2 0 369.431 3.132 20 0 FGADRP COCC[NH+](CCOC)C1CCN(c2c(C)c[nH+]c3c(C)cccc32)CC1 ZINC000514784533 503192663 /nfs/dbraw/zinc/19/26/63/503192663.db2.gz DNOJHBZBHPYHPG-UHFFFAOYSA-N 2 0 371.525 3.415 20 0 FGADRP C[N@@H+]1CCN(CC[NH2+][C@H]2CCc3ccc(Br)cc32)CC1(C)C ZINC000510946053 503223275 /nfs/dbraw/zinc/22/32/75/503223275.db2.gz DWRZMHZORDALMY-KRWDZBQOSA-N 2 0 366.347 3.052 20 0 FGADRP C[NH+](C)Cc1ccccc1C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000498598128 503223544 /nfs/dbraw/zinc/22/35/44/503223544.db2.gz JJHUDVUCMPZKNR-UHFFFAOYSA-N 2 0 351.494 3.274 20 0 FGADRP Cc1ccc(CN2CCOCC2)cc1NC(=O)CC[C@@H]1CCCC[N@H+]1C ZINC000498641078 503229805 /nfs/dbraw/zinc/22/98/05/503229805.db2.gz WDRFQYSBBXZMJA-IBGZPJMESA-N 2 0 359.514 3.030 20 0 FGADRP Brc1ccc(CN2CC[NH+](CC[C@H]3CCC[NH2+]C3)CC2)s1 ZINC000515062318 503263406 /nfs/dbraw/zinc/26/34/06/503263406.db2.gz DQGDNDUFYJQFNC-CQSZACIVSA-N 2 0 372.376 3.018 20 0 FGADRP Cc1ccc([C@H](CNC(=O)N[C@@H](C)C2=CC[N@H+](C)CC2)[NH+]2CCCC2)cc1 ZINC000511215060 503281412 /nfs/dbraw/zinc/28/14/12/503281412.db2.gz GUKHUQATFNSFLZ-RXVVDRJESA-N 2 0 370.541 3.082 20 0 FGADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)NC[C@H](c1ccco1)[NH+](CC)CC ZINC000502824594 503281509 /nfs/dbraw/zinc/28/15/09/503281509.db2.gz JGMRZXLJEOJDDO-QZTJIDSGSA-N 2 0 364.534 3.226 20 0 FGADRP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](Cc2c(Cl)cccc2N2CCCC2)CC1 ZINC000515176553 503284745 /nfs/dbraw/zinc/28/47/45/503284745.db2.gz UMPITIRTLGGFSF-QUCCMNQESA-N 2 0 363.933 3.268 20 0 FGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCc2cc(F)c(F)c(F)c2)[C@H](C)C1 ZINC000507443276 503300152 /nfs/dbraw/zinc/30/01/52/503300152.db2.gz QPNTZFFLEZUTDI-RDTXWAMCSA-N 2 0 358.448 3.373 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000502892898 503301309 /nfs/dbraw/zinc/30/13/09/503301309.db2.gz NOEIEFQKXPBSBX-GOSISDBHSA-N 2 0 352.567 3.205 20 0 FGADRP CC[NH+](CC)CC1CCN(C(=O)NCC2([NH+](C)C)CCCCC2)CC1 ZINC000515290056 503307177 /nfs/dbraw/zinc/30/71/77/503307177.db2.gz VIYZAFBHPGQXHF-UHFFFAOYSA-N 2 0 352.567 3.014 20 0 FGADRP CC(C)[NH+](CCNC(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1)C(C)C ZINC000515294682 503308844 /nfs/dbraw/zinc/30/88/44/503308844.db2.gz ZJCJXWUQWQZXON-FQEVSTJZSA-N 2 0 360.546 3.242 20 0 FGADRP C[C@@H](C[NH2+]Cc1cn(Cc2ccccc2)nc1-c1cccnc1)C[NH+](C)C ZINC000491589173 503322483 /nfs/dbraw/zinc/32/24/83/503322483.db2.gz OLGWBRPBVOHVGY-SFHVURJKSA-N 2 0 363.509 3.281 20 0 FGADRP COc1ccc2c(c1F)CC[C@@H]2[NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000515476799 503346397 /nfs/dbraw/zinc/34/63/97/503346397.db2.gz TZZLVXUTJARGJK-RKVPGOIHSA-N 2 0 350.478 3.301 20 0 FGADRP C[N@H+](CCCNC(=O)[C@@H]1CCC[NH+]1Cc1ccccc1)C1CCCCC1 ZINC000511668858 503366709 /nfs/dbraw/zinc/36/67/09/503366709.db2.gz WFTUYRQTWUKTKS-NRFANRHFSA-N 2 0 357.542 3.422 20 0 FGADRP COc1ccc(CN[C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)c(OC)n1 ZINC000515648275 503379588 /nfs/dbraw/zinc/37/95/88/503379588.db2.gz OABGXIYKOWTEDN-LJQANCHMSA-N 2 0 367.493 3.386 20 0 FGADRP CC[C@H](C)[NH2+][C@@H](CNC(=O)NC1CC([NH+]2CCCCC2)C1)c1ccco1 ZINC000503428401 503407158 /nfs/dbraw/zinc/40/71/58/503407158.db2.gz OEJAVQQURNYTOB-BFWZDYSYSA-N 2 0 362.518 3.025 20 0 FGADRP C[C@@H](OC[C@@H](O)C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1ccc(Cl)cc1 ZINC000515832086 503408909 /nfs/dbraw/zinc/40/89/09/503408909.db2.gz JCBUVNSPDMKEIH-ARJQWXCESA-N 2 0 366.933 3.383 20 0 FGADRP COc1ccc(OCC[N@@H+]2CCC[C@@H](c3ncc4n3CCCC4)C2)cc1 ZINC000503439869 503409758 /nfs/dbraw/zinc/40/97/58/503409758.db2.gz LSKWKYNWXAVWQR-QGZVFWFLSA-N 2 0 355.482 3.486 20 0 FGADRP CCC[N@@H+]1CCC[C@H]1CNC(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000511900101 503410994 /nfs/dbraw/zinc/41/09/94/503410994.db2.gz DDFAQVOQGMINKC-PMACEKPBSA-N 2 0 364.578 3.014 20 0 FGADRP O[C@@H]1CC[N@H+](Cc2ccccc2C[NH2+]C/C=C\c2ccc(F)c(F)c2)C1 ZINC000511929254 503417581 /nfs/dbraw/zinc/41/75/81/503417581.db2.gz ZJPSEACYZWIMKX-ZRHASKPBSA-N 2 0 358.432 3.334 20 0 FGADRP C[C@@H]1CN(C2CC2)C[C@H]1[NH2+]Cc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000493668196 503438448 /nfs/dbraw/zinc/43/84/48/503438448.db2.gz CDSMFNPVDDDJQV-VGOFRKELSA-N 2 0 353.510 3.484 20 0 FGADRP CC(C)C[NH+]1CCN(C(=O)NCC(C)(C)[NH2+][C@H](C)c2ccccc2)CC1 ZINC000503739731 503467589 /nfs/dbraw/zinc/46/75/89/503467589.db2.gz SUOQAQSAIKLPFW-GOSISDBHSA-N 2 0 360.546 3.099 20 0 FGADRP CC[NH+](CC)CC1CCN(C(=O)N[C@@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000516245644 503480481 /nfs/dbraw/zinc/48/04/81/503480481.db2.gz RTYHZDJRDRBUSJ-OTWHNJEPSA-N 2 0 366.594 3.116 20 0 FGADRP CCC[C@H]([NH2+]C(C)C)C(=O)N[C@@H]1CC[N@H+](C2CC2)[C@@H]1c1cccc(OC)c1 ZINC000503867330 503480812 /nfs/dbraw/zinc/48/08/12/503480812.db2.gz BLFOMQRSHLATHY-QHAWAJNXSA-N 2 0 373.541 3.256 20 0 FGADRP C[C@@H]1[C@@H](NC(=O)c2ccccc2C[NH+](C)C)CC[N@@H+]1Cc1ccccc1 ZINC000494067936 503482438 /nfs/dbraw/zinc/48/24/38/503482438.db2.gz CUOWMJMGYFKGQH-UTKZUKDTSA-N 2 0 351.494 3.141 20 0 FGADRP CCC[NH+]1CCC(CNC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2)CC1 ZINC000608011727 506374470 /nfs/dbraw/zinc/37/44/70/506374470.db2.gz AUSUQFKBSQJLDM-NRFANRHFSA-N 2 0 357.542 3.279 20 0 FGADRP CCCCCNC(=O)[C@@H](C)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000512235125 503493475 /nfs/dbraw/zinc/49/34/75/503493475.db2.gz ACSILUWIJDDJNP-KNQAVFIVSA-N 2 0 357.542 3.279 20 0 FGADRP CCCC[N@H+](C)CC1CC[NH+](CC(=O)N[C@@H](C)Cc2ccccc2C)CC1 ZINC000512273322 503505366 /nfs/dbraw/zinc/50/53/66/503505366.db2.gz ZQFJCZGLMAWIGG-FQEVSTJZSA-N 2 0 373.585 3.486 20 0 FGADRP Cc1ccccc1[C@H]([C@H](C)NC(=O)Nc1ccc2c(c1)C[NH2+]C2)[NH+](C)C ZINC000516552865 503534202 /nfs/dbraw/zinc/53/42/02/503534202.db2.gz UQCVUBZGMVMEGO-YWZLYKJASA-N 2 0 352.482 3.411 20 0 FGADRP O=C(NCc1ccccc1C[NH+]1CCCCC1)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000504324424 503556370 /nfs/dbraw/zinc/55/63/70/503556370.db2.gz LCHVJACXGXFRBU-RTWAWAEBSA-N 2 0 370.541 3.099 20 0 FGADRP CCCNC(=O)[C@@H]1CCC[N@H+](CC(C)(C)C[NH+](C)Cc2ccccc2)C1 ZINC000512536475 503578852 /nfs/dbraw/zinc/57/88/52/503578852.db2.gz IXFVFFNEOUMUJF-HXUWFJFHSA-N 2 0 359.558 3.383 20 0 FGADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@@H](C)[C@H](c2ccccc2C)[NH+](C)C)C1 ZINC000508860223 503581217 /nfs/dbraw/zinc/58/12/17/503581217.db2.gz DGXRKUQQKOHUSR-IRFCIJBXSA-N 2 0 374.573 3.360 20 0 FGADRP CC[NH+]1CCN(c2ccccc2CN2CCC[N@@H+](C3CCCC3)CC2)CC1 ZINC000512568326 503585861 /nfs/dbraw/zinc/58/58/61/503585861.db2.gz HQNJHXYZWBZTOQ-UHFFFAOYSA-N 2 0 370.585 3.279 20 0 FGADRP CCC[NH+]1CCC(NC(=O)N2C[C@@H](C)[N@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000500250539 503589051 /nfs/dbraw/zinc/58/90/51/503589051.db2.gz OQKHHPLSLNIGDX-MOPGFXCFSA-N 2 0 372.557 3.165 20 0 FGADRP Cc1ccccc1[C@H]([C@H](C)NC(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21)[NH+](C)C ZINC000508902346 503595210 /nfs/dbraw/zinc/59/52/10/503595210.db2.gz WFXJRBMWYWGSDS-ZSXPUABSSA-N 2 0 372.557 3.112 20 0 FGADRP Cc1ccccc1[C@H]([C@H](C)NC(=O)N1C[C@@H]([NH+]2CCCC2)C[C@H]1C)[NH+](C)C ZINC000508902535 503595291 /nfs/dbraw/zinc/59/52/91/503595291.db2.gz WQTRIEKFCQTLBL-JKBKZWBZSA-N 2 0 372.557 3.254 20 0 FGADRP C[C@H](NC(=O)N(CC[NH+](C)C)Cc1ccco1)[C@H](c1ccccc1)[NH+](C)C ZINC000508903904 503596097 /nfs/dbraw/zinc/59/60/97/503596097.db2.gz YLCOEMFMUWUQDP-FXAWDEMLSA-N 2 0 372.513 3.044 20 0 FGADRP C[C@](O)(C[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)C(F)(F)F ZINC000512631624 503599946 /nfs/dbraw/zinc/59/99/46/503599946.db2.gz RYQPBLOTBFCCRQ-FJIDUMEYSA-N 2 0 356.432 3.190 20 0 FGADRP c1[nH]nc2c1CC[C@H]([NH2+][C@H]1CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]31)C2 ZINC000512640993 503601201 /nfs/dbraw/zinc/60/12/01/503601201.db2.gz CEDDINIBMKUAIA-BURNTYAHSA-N 2 0 350.510 3.157 20 0 FGADRP OC[C@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+][C@@H]1CCc2ccccc2OC1 ZINC000494745247 503603288 /nfs/dbraw/zinc/60/32/88/503603288.db2.gz KQLGBZXHYUURLB-FGZHOGPDSA-N 2 0 366.505 3.127 20 0 FGADRP CC(C)(CNC(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1)[NH+]1CCCCC1 ZINC000504875418 503630346 /nfs/dbraw/zinc/63/03/46/503630346.db2.gz IUYAZSOXWRRETO-FQEVSTJZSA-N 2 0 372.557 3.215 20 0 FGADRP C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)c1 ZINC000494894636 503632023 /nfs/dbraw/zinc/63/20/23/503632023.db2.gz BENRNTWGPTYSAQ-VXKWHMMOSA-N 2 0 363.505 3.143 20 0 FGADRP CCOC1CC2(C1)CC[NH+](CC(C)C[N@H+]1CCC3(CC(OCC)C3)C1)C2 ZINC000512824457 503640522 /nfs/dbraw/zinc/64/05/22/503640522.db2.gz SKDOJUADTXGWBD-UHFFFAOYSA-N 2 0 364.574 3.405 20 0 FGADRP Cc1ccc([C@@H](CNC(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)[NH+](C)C)cc1 ZINC000517112050 503671236 /nfs/dbraw/zinc/67/12/36/503671236.db2.gz IEKXHVZLCUGDJN-NHCUHLMSSA-N 2 0 372.557 3.258 20 0 FGADRP C[NH+](C)CCOC1CC[NH+](Cc2ccc(-c3ccncc3)cc2F)CC1 ZINC000536675578 503675354 /nfs/dbraw/zinc/67/53/54/503675354.db2.gz YBXWGCHCVQYPGW-UHFFFAOYSA-N 2 0 357.473 3.430 20 0 FGADRP O=C(NC[C@@H]1CC[N@@H+]1C1CCCCC1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000529719306 503677676 /nfs/dbraw/zinc/67/76/76/503677676.db2.gz XDDGRQMIXUHDFM-FPOVZHCZSA-N 2 0 355.526 3.032 20 0 FGADRP O=C(NC[C@H]1CC[N@@H+]1C1CCCCC1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000529719307 503679173 /nfs/dbraw/zinc/67/91/73/503679173.db2.gz XDDGRQMIXUHDFM-PZJWPPBQSA-N 2 0 355.526 3.032 20 0 FGADRP C[NH+]1CCC(C)(C[NH2+]Cc2cn(-c3ccc(Cl)c(Cl)c3)nn2)CC1 ZINC000543240472 503693177 /nfs/dbraw/zinc/69/31/77/503693177.db2.gz YWYVSYUKOFOUIX-UHFFFAOYSA-N 2 0 368.312 3.396 20 0 FGADRP CC[C@H](C)[C@@H](C)[NH2+][C@H](C)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000540187085 503701723 /nfs/dbraw/zinc/70/17/23/503701723.db2.gz HCKRZKAQAJYVRI-GVDBMIGSSA-N 2 0 369.575 3.002 20 0 FGADRP CC[N@@H+]1CCCN(C(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)CC1 ZINC000540226589 503717072 /nfs/dbraw/zinc/71/70/72/503717072.db2.gz SUNJBKKFBILBCD-UHFFFAOYSA-N 2 0 358.530 3.275 20 0 FGADRP CC(C)[C@@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)c1ccc2[nH]c(=O)oc2c1 ZINC000540300968 503732795 /nfs/dbraw/zinc/73/27/95/503732795.db2.gz FQZFGCPNBNQXAM-HXUWFJFHSA-N 2 0 374.529 3.094 20 0 FGADRP CCc1noc(-c2ccc(CC[NH2+]C3CC[NH+](CC4CC4)CC3)cc2)n1 ZINC000540360886 503749380 /nfs/dbraw/zinc/74/93/80/503749380.db2.gz GWQHHAAOTGGRBT-UHFFFAOYSA-N 2 0 354.498 3.306 20 0 FGADRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCc1c[nH]c2ccc(Br)cc12 ZINC000543415815 503761195 /nfs/dbraw/zinc/76/11/95/503761195.db2.gz CINLHPUZXTXTJT-LRDDRELGSA-N 2 0 350.304 3.403 20 0 FGADRP C[NH2+][C@H](CC(C)(C)C)C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000517562547 503772565 /nfs/dbraw/zinc/77/25/65/503772565.db2.gz SNJJWTSULSPNNP-QGZVFWFLSA-N 2 0 351.560 3.101 20 0 FGADRP CC1=CC[N@H+](CCNC(=O)NCc2ccccc2C[NH+]2CCCCC2)CC1 ZINC000546566202 503790030 /nfs/dbraw/zinc/79/00/30/503790030.db2.gz HKBWXJZKVIUTMX-UHFFFAOYSA-N 2 0 370.541 3.124 20 0 FGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]Cc2ccnc(OC)c2)CC1 ZINC000537108235 503804620 /nfs/dbraw/zinc/80/46/20/503804620.db2.gz KEXRBVGXJVPMCI-INIZCTEOSA-N 2 0 372.488 3.222 20 0 FGADRP C[C@H]1[C@H](C)[N@H+](C)CCN1C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000543563765 503813201 /nfs/dbraw/zinc/81/32/01/503813201.db2.gz LAFRVXIHOLNVRV-ROUUACIJSA-N 2 0 358.530 3.271 20 0 FGADRP CC[C@H]([NH2+]CCc1ccc(OCC[NH+]2CCCC2)cc1)c1ccn(C)n1 ZINC000543626210 503833448 /nfs/dbraw/zinc/83/34/48/503833448.db2.gz XAVOQUWOZMQKDQ-FQEVSTJZSA-N 2 0 356.514 3.178 20 0 FGADRP C[C@@H]([NH3+])c1ccc(-c2ccc([C@H](C)[NH+]3CCN(CCO)CC3)cc2)cc1F ZINC000527589526 503845285 /nfs/dbraw/zinc/84/52/85/503845285.db2.gz SVZRBZJERVQJRR-SJORKVTESA-N 2 0 371.500 3.183 20 0 FGADRP c1ccc(-c2ncc(C[NH+]3CCC(OCC[NH+]4CCCC4)CC3)cn2)cc1 ZINC000533448345 503849455 /nfs/dbraw/zinc/84/94/55/503849455.db2.gz GGDCYWQBFZTDPH-UHFFFAOYSA-N 2 0 366.509 3.220 20 0 FGADRP CC[NH+](CC)Cc1ccc(CNC(=O)NC[C@H]2CC[N@@H+]2C2CCCC2)cc1 ZINC000527638236 503870476 /nfs/dbraw/zinc/87/04/76/503870476.db2.gz HHLSMKHUTNAVBY-OAQYLSRUSA-N 2 0 372.557 3.345 20 0 FGADRP c1nc(-c2ccccc2)sc1C[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530241735 503890764 /nfs/dbraw/zinc/89/07/64/503890764.db2.gz QGIOTNOBHLVDII-GOSISDBHSA-N 2 0 357.523 3.401 20 0 FGADRP Cc1ccc(-c2cnc(C[NH+]3CCC(CO[C@@H]4CC[NH2+]C4)CC3)o2)cc1 ZINC000530241810 503891285 /nfs/dbraw/zinc/89/12/85/503891285.db2.gz RPNSNEBPVXPJGK-LJQANCHMSA-N 2 0 355.482 3.241 20 0 FGADRP COc1ccc2nc(CNc3c[nH+]ccc3N3CC[NH+](C)CC3)sc2c1 ZINC000530440000 503965177 /nfs/dbraw/zinc/96/51/77/503965177.db2.gz IAVVXNRHQZKENB-UHFFFAOYSA-N 2 0 369.494 3.064 20 0 FGADRP CC[NH+]1CCC(N(C)C(=O)[C@H](C)[NH+]2CCC(Cc3ccccc3)CC2)CC1 ZINC000518399156 503973638 /nfs/dbraw/zinc/97/36/38/503973638.db2.gz ILCSKEKEUXIZOG-IBGZPJMESA-N 2 0 371.569 3.272 20 0 FGADRP C[C@H](CNC(=O)NCC[NH+]1[C@@H](C)CCC[C@@H]1C)[N@H+](C)Cc1ccccc1 ZINC000518438958 503985044 /nfs/dbraw/zinc/98/50/44/503985044.db2.gz SCBXNVRNLBNFKU-GBESFXJTSA-N 2 0 360.546 3.069 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H](NC[C@H]2CC[NH+]2C2CCCCC2)[C@H](C)C1 ZINC000527950026 504012788 /nfs/dbraw/zinc/01/27/88/504012788.db2.gz OUOMJJSSXBQEJY-NRSPTQNISA-N 2 0 351.579 3.120 20 0 FGADRP CCO[C@@H]1C[C@@H]([NH2+]Cc2ccncc2OCCC[NH+](C)C)C12CCCC2 ZINC000518607496 504026051 /nfs/dbraw/zinc/02/60/51/504026051.db2.gz CQEMYWWKZCFIBW-WOJBJXKFSA-N 2 0 361.530 3.240 20 0 FGADRP C[C@H]([NH2+]C[C@H]1c2ccccc2C(=O)N1C)c1cccc(OCC[NH+](C)C)c1 ZINC000528009651 504038137 /nfs/dbraw/zinc/03/81/37/504038137.db2.gz ZCSSFDYPUBULJX-KKSFZXQISA-N 2 0 367.493 3.105 20 0 FGADRP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)NCCCC[NH+]1CCC(C)CC1 ZINC000518709187 504046029 /nfs/dbraw/zinc/04/60/29/504046029.db2.gz LDMNNTKWPWVGMS-FQEVSTJZSA-N 2 0 366.594 3.452 20 0 FGADRP CC(C)[N@H+](C)CC1CC[NH+]([C@@H]2CCN(c3cccc(Cl)c3)C2=O)CC1 ZINC000530699137 504056829 /nfs/dbraw/zinc/05/68/29/504056829.db2.gz UFVJCVYOYHDWTF-LJQANCHMSA-N 2 0 363.933 3.498 20 0 FGADRP Cc1c[nH+]ccc1N1CCC(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)CC1 ZINC000530740828 504071417 /nfs/dbraw/zinc/07/14/17/504071417.db2.gz RFGHULVRTLFRBO-UXHICEINSA-N 2 0 370.541 3.080 20 0 FGADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NC[C@@H](c1ccccc1Cl)N1CCCC1 ZINC000530805281 504091963 /nfs/dbraw/zinc/09/19/63/504091963.db2.gz XQYNMCKUHWEXKY-FCEWJHQRSA-N 2 0 363.933 3.466 20 0 FGADRP COc1ccc2c(c1)OC[C@H]([NH2+][C@@H]1CCN(Cc3ccccc3)C[C@@H]1C)C2 ZINC000537960326 504096357 /nfs/dbraw/zinc/09/63/57/504096357.db2.gz QWIJYEZKRIBPPL-UCNVEGJOSA-N 2 0 366.505 3.499 20 0 FGADRP CC(C)[NH+](CCNC(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)C)C(C)C ZINC000530838697 504102341 /nfs/dbraw/zinc/10/23/41/504102341.db2.gz IMKUWVQJZNZMRH-GOSISDBHSA-N 2 0 368.953 3.361 20 0 FGADRP C[C@@H]1C[C@@H](N(C)C(=O)[C@]23C[NH2+]C[C@@H]2CCCC3)CC[N@@H+]1Cc1ccccc1 ZINC000518985191 504111008 /nfs/dbraw/zinc/11/10/08/504111008.db2.gz QNCKBHWHNVROOZ-LCKKVJLRSA-N 2 0 369.553 3.278 20 0 FGADRP CC[NH+](CC)CCN(Cc1ccccc1)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000519017929 504119460 /nfs/dbraw/zinc/11/94/60/504119460.db2.gz XQBCITJSSOYYEO-RTWAWAEBSA-N 2 0 372.557 3.167 20 0 FGADRP CC[NH+](CC)[C@@H](C(=O)NCc1ccc(C[NH+](C)C)cc1)c1ccccc1 ZINC000519083396 504135806 /nfs/dbraw/zinc/13/58/06/504135806.db2.gz KMRHMWNAEOYDDJ-OAQYLSRUSA-N 2 0 353.510 3.448 20 0 FGADRP Cc1ccc([C@H](C)[NH2+][C@H](C)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000538128438 504138951 /nfs/dbraw/zinc/13/89/51/504138951.db2.gz OWJZRVKTTZZPCS-JQVVWYNYSA-N 2 0 365.521 3.425 20 0 FGADRP Fc1ccc(-c2noc(CCC[NH2+]C3CC[NH+](CC4CC4)CC3)n2)cc1 ZINC000541552971 504174338 /nfs/dbraw/zinc/17/43/38/504174338.db2.gz DQIFKOKIYBUQIW-UHFFFAOYSA-N 2 0 358.461 3.272 20 0 FGADRP C[C@@H](CN1CCCCC1)[NH2+][C@@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21 ZINC000538261442 504180321 /nfs/dbraw/zinc/18/03/21/504180321.db2.gz UQLHPLXKJRYFST-AZUAARDMSA-N 2 0 357.542 3.439 20 0 FGADRP Cc1ccc([C@H](CNC(=O)NCCC[NH2+]C2CCCCC2)[NH+](C)C)cc1 ZINC000519295958 504186494 /nfs/dbraw/zinc/18/64/94/504186494.db2.gz GJKLLVCAOBJPDE-FQEVSTJZSA-N 2 0 360.546 3.209 20 0 FGADRP CN1CC[NH+](CCCC[NH2+]Cc2cc(Cl)cc(C(F)(F)F)c2)CC1 ZINC000547706979 504193974 /nfs/dbraw/zinc/19/39/74/504193974.db2.gz DFGDPNGAMOPOHR-UHFFFAOYSA-N 2 0 363.855 3.476 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N[C@@H](C)C[C@@H](C)[NH3+])c1ccccc1Cl ZINC000519396130 504211087 /nfs/dbraw/zinc/21/10/87/504211087.db2.gz ZNAPSWZWYYENDH-JKIFEVAISA-N 2 0 354.926 3.148 20 0 FGADRP CC1CC[NH+](Cc2cccc(CNC(=O)C34CCC[NH+]3CCC4)c2)CC1 ZINC000547758268 504213683 /nfs/dbraw/zinc/21/36/83/504213683.db2.gz VECUQXWYCJVLBZ-UHFFFAOYSA-N 2 0 355.526 3.163 20 0 FGADRP C[C@H](CC[NH+](C)C)NC(=O)NC[C@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC000519449725 504224372 /nfs/dbraw/zinc/22/43/72/504224372.db2.gz KXWDDRXROBVIPB-UYAOXDASSA-N 2 0 360.546 3.099 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)NCC2(C[NH+](C)C)CCCC2)C1 ZINC000544701844 504226290 /nfs/dbraw/zinc/22/62/90/504226290.db2.gz AWAWMJQCQJFACE-KDURUIRLSA-N 2 0 366.594 3.166 20 0 FGADRP Cc1ccc([C@@H]([NH2+]Cc2ccnc(N3CC[NH+](C)CC3)c2)C2CCC2)o1 ZINC000541745116 504241915 /nfs/dbraw/zinc/24/19/15/504241915.db2.gz WFGSXHGWXKQQMY-NRFANRHFSA-N 2 0 354.498 3.366 20 0 FGADRP C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)N3CCC(CC[NH3+])CC3)cc2)C1 ZINC000519536795 504244704 /nfs/dbraw/zinc/24/47/04/504244704.db2.gz AMDJOWARZATZLA-SFHVURJKSA-N 2 0 372.557 3.189 20 0 FGADRP C[C@H]1CCCC[N@@H+]1CCCNC(=O)[C@@H]1CCCC[NH+]1Cc1ccccc1 ZINC000531282825 504251838 /nfs/dbraw/zinc/25/18/38/504251838.db2.gz NZEVCKYTRKSPOH-FPOVZHCZSA-N 2 0 357.542 3.422 20 0 FGADRP CC[NH+](CC)Cc1ccccc1CNC(=O)CCN(C)c1cc[nH+]cc1 ZINC000541858037 504279131 /nfs/dbraw/zinc/27/91/31/504279131.db2.gz ACJLBRHNILAYIZ-UHFFFAOYSA-N 2 0 354.498 3.066 20 0 FGADRP CC(C)C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000528659699 504317606 /nfs/dbraw/zinc/31/76/06/504317606.db2.gz YEWDPINSTYNWHY-PSWRPDDJSA-N 2 0 371.569 3.380 20 0 FGADRP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(C[NH2+]CC3CCCCCC3)c2)C1 ZINC000531490246 504326274 /nfs/dbraw/zinc/32/62/74/504326274.db2.gz WXJNBFYBMWOIAZ-OAQYLSRUSA-N 2 0 357.542 3.444 20 0 FGADRP CC[NH+](CC)[C@@H](C(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000535147111 504354997 /nfs/dbraw/zinc/35/49/97/504354997.db2.gz IBFLGQPVDBVPLW-NHCUHLMSSA-N 2 0 357.542 3.260 20 0 FGADRP C[C@H]1O[C@@H](C)[C@@H]([NH2+]Cc2cccc(C[NH2+][C@H]3[C@@H](C)O[C@@H](C)[C@H]3C)c2)[C@H]1C ZINC000528770044 504372289 /nfs/dbraw/zinc/37/22/89/504372289.db2.gz YUZQTTQTHCFWJU-MBFGVPMJSA-N 2 0 360.542 3.490 20 0 FGADRP CC[N@H+](C)Cc1cccc(CNC(=O)N[C@H](C)C[NH+]2CCC[C@@H](C)C2)c1 ZINC000519933415 504387099 /nfs/dbraw/zinc/38/70/99/504387099.db2.gz QOCNHXFTCWHAKQ-QZTJIDSGSA-N 2 0 360.546 3.058 20 0 FGADRP C[NH+](C)Cc1ccsc1C(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000531778240 504421483 /nfs/dbraw/zinc/42/14/83/504421483.db2.gz GQUPITRBKBYKNU-INIZCTEOSA-N 2 0 365.930 3.496 20 0 FGADRP Cc1ccncc1[C@@H](C)[NH2+]CCCN1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000538985332 504439674 /nfs/dbraw/zinc/43/96/74/504439674.db2.gz GQEUCKGRGZRWCE-DENIHFKCSA-N 2 0 352.526 3.419 20 0 FGADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)NCC2(C[NH+](C)C)CCCC2)C1 ZINC000545346830 504454248 /nfs/dbraw/zinc/45/42/48/504454248.db2.gz OAMTZJKNNLJVLR-AZUAARDMSA-N 2 0 372.557 3.243 20 0 FGADRP C[C@@H]1CC[N@H+](CCNC(=O)c2cccc(C[NH+](C)Cc3ccccc3)c2)C1 ZINC000542351980 504458915 /nfs/dbraw/zinc/45/89/15/504458915.db2.gz QQCWPJDRESHZEX-LJQANCHMSA-N 2 0 365.521 3.390 20 0 FGADRP CC(C)[N@H+](C)CC1CC[NH+](CC2CCN(C(=O)C(C)(C)C)CC2)CC1 ZINC000548487056 504463580 /nfs/dbraw/zinc/46/35/80/504463580.db2.gz JWEYPVKBLBABJS-UHFFFAOYSA-N 2 0 351.579 3.323 20 0 FGADRP C[C@@H]([NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1ccc2c(c1)CCC(=O)N2 ZINC000539075799 504465816 /nfs/dbraw/zinc/46/58/16/504465816.db2.gz LMTUHSTWIQORQR-BRWVUGGUSA-N 2 0 359.514 3.111 20 0 FGADRP C[NH+](C)CCNC(=O)c1cccc(C[NH2+][C@@H]2CCc3c2cccc3Cl)c1 ZINC000531965920 504488587 /nfs/dbraw/zinc/48/85/87/504488587.db2.gz VLZUSVZCQSVDCS-HXUWFJFHSA-N 2 0 371.912 3.409 20 0 FGADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](Cc1cccnc1)c1ccc(Cl)cc1 ZINC000545457333 504493388 /nfs/dbraw/zinc/49/33/88/504493388.db2.gz HDMXADUGANGHRG-UTKZUKDTSA-N 2 0 372.944 3.244 20 0 FGADRP CC(C)N1CCC[C@@H]([NH+]2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)C1=O ZINC000535680171 504506234 /nfs/dbraw/zinc/50/62/34/504506234.db2.gz IXLMKCGKJGTDLG-OAQYLSRUSA-N 2 0 369.553 3.374 20 0 FGADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH+]1CCC(Oc2cc(C)ccn2)CC1 ZINC000542486832 504510165 /nfs/dbraw/zinc/51/01/65/504510165.db2.gz RMLMUQRLMFXTON-UHFFFAOYSA-N 2 0 363.465 3.323 20 0 FGADRP CN1CCC([NH+]2CCC(CC[N@H+](C)CC[C@@H]3CCCCO3)CC2)CC1 ZINC000542505798 504518224 /nfs/dbraw/zinc/51/82/24/504518224.db2.gz MZMNAXJAFDHVQA-NRFANRHFSA-N 2 0 351.579 3.074 20 0 FGADRP CC[C@@H]([NH2+]C1CC[NH+](CC2CC2)CC1)[C@H](c1ccc(C)cc1)n1cncn1 ZINC000539298264 504523544 /nfs/dbraw/zinc/52/35/44/504523544.db2.gz YZGPGHHWDCRFFU-YADHBBJMSA-N 2 0 367.541 3.419 20 0 FGADRP C[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)c1ccc(Cl)c(F)c1 ZINC000535776947 504541299 /nfs/dbraw/zinc/54/12/99/504541299.db2.gz RYFDSICKMSXNOT-CQSZACIVSA-N 2 0 362.880 3.477 20 0 FGADRP CCCOc1ccc(CN2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)cc1 ZINC000548796046 504570916 /nfs/dbraw/zinc/57/09/16/504570916.db2.gz YVVBDPPOSGODSI-WCRBZPEASA-N 2 0 357.542 3.218 20 0 FGADRP CCC(CC)(CNC(=O)NCC1=CC[N@H+](C)CC1)[NH2+][C@@H](C)c1ccccc1 ZINC000539474216 504583905 /nfs/dbraw/zinc/58/39/05/504583905.db2.gz IWIFKXUMPQSSDA-SFHVURJKSA-N 2 0 372.557 3.457 20 0 FGADRP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000542745059 504593768 /nfs/dbraw/zinc/59/37/68/504593768.db2.gz STMKDAVLSVGEGJ-ZWKOTPCHSA-N 2 0 374.573 3.488 20 0 FGADRP CCC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000529419595 504667269 /nfs/dbraw/zinc/66/72/69/504667269.db2.gz QFSGSDHHPFQVDW-MQSCRBSSSA-N 2 0 369.553 3.089 20 0 FGADRP COc1ccc(C[NH+]2CCC(C[NH2+][C@@H]3[C@@H]4CCO[C@H]4C34CCC4)CC2)cc1 ZINC000536307717 504692986 /nfs/dbraw/zinc/69/29/86/504692986.db2.gz QDVJDEPJDHHTPE-BHDDXSALSA-N 2 0 370.537 3.454 20 0 FGADRP O=C(NC1CC[NH+](C2CCCCC2)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000521268957 504697451 /nfs/dbraw/zinc/69/74/51/504697451.db2.gz OSTCZXHRQODAPI-FQEVSTJZSA-N 2 0 369.553 3.422 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)Cc2cnc3ccc(Br)cn23)C[C@@H]1C ZINC000539816982 504699562 /nfs/dbraw/zinc/69/95/62/504699562.db2.gz IBOQZNROIUMYQS-ZFWWWQNUSA-N 2 0 365.319 3.401 20 0 FGADRP C[NH+]1CCN(CCC[NH2+][C@@H]2CCCc3c(Br)cccc32)CC1 ZINC000543079802 504715333 /nfs/dbraw/zinc/71/53/33/504715333.db2.gz PZPCYFZLXSKETQ-GOSISDBHSA-N 2 0 366.347 3.054 20 0 FGADRP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]C[C@]2(C)CCCC[C@@H]2O)CC1 ZINC000536402605 504723763 /nfs/dbraw/zinc/72/37/63/504723763.db2.gz HCMJOLKOOGLJSK-PMACEKPBSA-N 2 0 365.949 3.123 20 0 FGADRP CCc1nc2cc(CNC(=O)N[C@@H](C)C[NH+](CC)CC)ccc2n1C1CC1 ZINC000549231341 504733011 /nfs/dbraw/zinc/73/30/11/504733011.db2.gz YFLRZZJKTVFCOX-HNNXBMFYSA-N 2 0 371.529 3.463 20 0 FGADRP [NH3+]CCC1CC[NH+](Cc2cc3c(cc2Br)OCCCO3)CC1 ZINC000565096562 504792162 /nfs/dbraw/zinc/79/21/62/504792162.db2.gz UPGXNKFJPBTORR-UHFFFAOYSA-N 2 0 369.303 3.171 20 0 FGADRP C[NH+]1CCN(c2ccc(C(F)(F)F)cc2C[NH2+][C@@H]2CCOC2(C)C)CC1 ZINC000556093850 504795088 /nfs/dbraw/zinc/79/50/88/504795088.db2.gz NEYDPVHPONZWEH-QGZVFWFLSA-N 2 0 371.447 3.114 20 0 FGADRP C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000549343507 504795790 /nfs/dbraw/zinc/79/57/90/504795790.db2.gz CKTNHMWWZSHBIZ-FCHUYYIVSA-N 2 0 363.505 3.110 20 0 FGADRP C[N@@H+]1C[C@H](NC(=O)c2ccc(C[NH+]3CCCC3)cc2)[C@H](c2ccccc2)C1 ZINC000549343510 504795945 /nfs/dbraw/zinc/79/59/45/504795945.db2.gz CKTNHMWWZSHBIZ-VXKWHMMOSA-N 2 0 363.505 3.110 20 0 FGADRP COc1ccc(C[NH+]2CCC(C[NH2+][C@@H](C)c3cncnc3C)CC2)cc1 ZINC000565218455 504828279 /nfs/dbraw/zinc/82/82/79/504828279.db2.gz QYWMGAIVBCPVAR-INIZCTEOSA-N 2 0 354.498 3.356 20 0 FGADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+]CCNC(=O)c2ccccc2)CC1 ZINC000556253697 504829498 /nfs/dbraw/zinc/82/94/98/504829498.db2.gz RGFPKNYBIVRUJU-UHFFFAOYSA-N 2 0 365.521 3.449 20 0 FGADRP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](Cc2c[nH]nc2-c2ccc(Cl)cc2)CC1 ZINC000565351292 504862451 /nfs/dbraw/zinc/86/24/51/504862451.db2.gz FGNDGWLUWMAXID-QUCCMNQESA-N 2 0 374.916 3.448 20 0 FGADRP C[C@@H](C(=O)NCc1ccccc1C[NH+]1C[C@H](C)C[C@@H](C)C1)[NH+]1CC(C)C1 ZINC000553326605 504884759 /nfs/dbraw/zinc/88/47/59/504884759.db2.gz NPFPKYVUFDHSDT-LMMKCTJWSA-N 2 0 357.542 3.121 20 0 FGADRP O=C(c1ccc2c[nH+]cn2c1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000559548552 504885045 /nfs/dbraw/zinc/88/50/45/504885045.db2.gz NEYXHBWCUYCMCW-SIKLNZKXSA-N 2 0 374.488 3.461 20 0 FGADRP Ic1cccc(CN2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000556599875 504915689 /nfs/dbraw/zinc/91/56/89/504915689.db2.gz BACDRCIHJFYXJD-OAHLLOKOSA-N 2 0 370.278 3.209 20 0 FGADRP CC[NH+](CC)Cc1cccc(CNC(=O)N2C[C@H]([NH+]3CCCC3)C[C@H]2C)c1 ZINC000553467809 504922529 /nfs/dbraw/zinc/92/25/29/504922529.db2.gz QCMQWJDBSHVLQX-WIYYLYMNSA-N 2 0 372.557 3.297 20 0 FGADRP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]C1CCC(CS(C)(=O)=O)CC1 ZINC000559774293 504926733 /nfs/dbraw/zinc/92/67/33/504926733.db2.gz POTNCQFKXGAWJT-JWHDQAAXSA-N 2 0 358.592 3.080 20 0 FGADRP COc1cccc(C[NH+]2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)c1OC(F)F ZINC000565645534 504947275 /nfs/dbraw/zinc/94/72/75/504947275.db2.gz ZQKRTTIYKCAZMK-DOTOQJQBSA-N 2 0 370.440 3.015 20 0 FGADRP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](Cc2ncc(-c3ccc(F)cc3)o2)CC1 ZINC000562839012 504961192 /nfs/dbraw/zinc/96/11/92/504961192.db2.gz XJVNROUTIVNIFN-XLIONFOSSA-N 2 0 359.445 3.199 20 0 FGADRP CC[C@H]([NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1)C(C)(C)c1ccccc1 ZINC000553623945 504966397 /nfs/dbraw/zinc/96/63/97/504966397.db2.gz BXEAAJLGMMIFAT-FQEVSTJZSA-N 2 0 357.542 3.075 20 0 FGADRP CC[C@H](C(=O)NC[C@H](c1ccccc1)[NH+](C)C)[N@H+](C)Cc1ccccc1 ZINC000550128072 504972955 /nfs/dbraw/zinc/97/29/55/504972955.db2.gz XOPOBDJOHCHGRV-NHCUHLMSSA-N 2 0 353.510 3.316 20 0 FGADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@@]1(C)CCN(Cc2ccccc2)C1 ZINC000565778445 504984615 /nfs/dbraw/zinc/98/46/15/504984615.db2.gz LJQXDAFVVWGKLD-QFIPXVFZSA-N 3 0 361.493 3.330 20 0 FGADRP C[N@@H+]1CC[C@H]([NH2+]C2CCN(Cc3ccc(F)c(F)c3)CC2)[C@@H]2CCC[C@H]21 ZINC000556862781 504998905 /nfs/dbraw/zinc/99/89/05/504998905.db2.gz ALSVUGNJYWYESK-DZFGPLHGSA-N 2 0 363.496 3.392 20 0 FGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H](C)CCc2ccc(F)cc2F)CC1 ZINC000556874003 505001851 /nfs/dbraw/zinc/00/18/51/505001851.db2.gz YPKWKQCDRNIPBF-IAGOWNOFSA-N 2 0 353.501 3.149 20 0 FGADRP C[C@H]([NH2+]Cc1ccc(F)c(C[NH+](C)C)c1)c1ccc2c(c1)OCC(=O)N2 ZINC000556873183 505001907 /nfs/dbraw/zinc/00/19/07/505001907.db2.gz URURTTAIBSRJAP-ZDUSSCGKSA-N 2 0 357.429 3.069 20 0 FGADRP OC1(C[NH2+]C2CCC3(CCCO3)CC2)CC[NH+](Cc2ccccc2)CC1 ZINC000556878184 505003439 /nfs/dbraw/zinc/00/34/39/505003439.db2.gz PZPOJDQOZJQMEU-UHFFFAOYSA-N 2 0 358.526 3.095 20 0 FGADRP c1ccc(C[N@H+]2C[C@H](C[NH2+][C@H]3CCCSC3)C3(C2)CCOCC3)cc1 ZINC000550262679 505005827 /nfs/dbraw/zinc/00/58/27/505005827.db2.gz NQMBSIPRCUWJKY-PMACEKPBSA-N 2 0 360.567 3.400 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+]C[C@@H](O)COc1cccc2[nH]ccc21 ZINC000562988515 505011822 /nfs/dbraw/zinc/01/18/22/505011822.db2.gz PDQHHJWFAINPHD-QZTJIDSGSA-N 2 0 359.514 3.152 20 0 FGADRP COc1cc(C[NH+]2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)ccc1OC(C)C ZINC000556963559 505032734 /nfs/dbraw/zinc/03/27/34/505032734.db2.gz PRTJBVYOZCBTHY-QUCCMNQESA-N 2 0 362.514 3.201 20 0 FGADRP C[NH+]1CCC(O)(C[NH2+][C@H]2CCCCc3cc(Br)ccc32)CC1 ZINC000556984300 505037828 /nfs/dbraw/zinc/03/78/28/505037828.db2.gz FSEQTRDTYQNMND-KRWDZBQOSA-N 2 0 367.331 3.263 20 0 FGADRP CC[NH+](CC)CCOc1ccc(C(=O)N2CC3(C[C@H]2C)CC[NH2+]CC3)cc1 ZINC000563209763 505076524 /nfs/dbraw/zinc/07/65/24/505076524.db2.gz YMIDJRJHTUZFQR-GOSISDBHSA-N 2 0 373.541 3.011 20 0 FGADRP C[C@@H]([NH2+]CC1([NH3+])C2CC3CC(C2)CC1C3)c1cccc(N2CCOCC2)c1 ZINC000566092171 505077089 /nfs/dbraw/zinc/07/70/89/505077089.db2.gz QCQQPRAHTXQRCL-NKZGEROYSA-N 2 0 369.553 3.327 20 0 FGADRP C[C@H](C[NH2+]CCC(=O)Nc1cccc(Br)c1)C[NH+]1CCCC1 ZINC000566106649 505083021 /nfs/dbraw/zinc/08/30/21/505083021.db2.gz WEHJHZGSBMAQGM-CQSZACIVSA-N 2 0 368.319 3.099 20 0 FGADRP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(COC3CCOCC3)cc2)[C@H]2CCC[C@H]21 ZINC000560544124 505120352 /nfs/dbraw/zinc/12/03/52/505120352.db2.gz FFGWZPVBLHKWSR-BHIFYINESA-N 2 0 358.526 3.345 20 0 FGADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+]C[C@@H](O)COc2ccccc2)CC1 ZINC000550893141 505121495 /nfs/dbraw/zinc/12/14/95/505121495.db2.gz VNNKNQNZPMCXQI-LZBANZJXSA-N 2 0 368.521 3.459 20 0 FGADRP COc1cc([C@@H](C)[NH2+]CCCC[NH+]2CCN(c3ccccc3)CC2)ccn1 ZINC000550940549 505127338 /nfs/dbraw/zinc/12/73/38/505127338.db2.gz QQMYHKSCIQFHTD-LJQANCHMSA-N 2 0 368.525 3.343 20 0 FGADRP CC(C)C[NH+]1CCC(NC(=O)c2ccccc2CC2CC[NH2+]CC2)CC1 ZINC000566286969 505134726 /nfs/dbraw/zinc/13/47/26/505134726.db2.gz OQPRCYNTEKWZDJ-UHFFFAOYSA-N 2 0 357.542 3.079 20 0 FGADRP [NH3+]CCc1ccccc1C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000566404555 505165965 /nfs/dbraw/zinc/16/59/65/505165965.db2.gz PFBNLLMLAZFUSA-UHFFFAOYSA-N 2 0 351.494 3.104 20 0 FGADRP Cc1ccc(C)c(OC[C@H](O)C[NH2+]Cc2cccc(C[NH+](C)C)c2)c1C ZINC000563529279 505167559 /nfs/dbraw/zinc/16/75/59/505167559.db2.gz XMBOTIVVESYMHA-OAQYLSRUSA-N 2 0 356.510 3.203 20 0 FGADRP CC(C)[NH+]1CCC(C(=O)N2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)CC1 ZINC000557637616 505189196 /nfs/dbraw/zinc/18/91/96/505189196.db2.gz FDDVPAMMGPTELZ-QHCPKHFHSA-N 2 0 369.553 3.231 20 0 FGADRP C[C@@H]1CC[C@H]([NH2+]CCCN2CCc3ccccc3C2)[C@@H](n2cncn2)C1 ZINC000551268108 505189266 /nfs/dbraw/zinc/18/92/66/505189266.db2.gz ZTLFIICZGKVRHE-QMMLZNLJSA-N 2 0 353.514 3.046 20 0 FGADRP Cc1cccc(N2CC[NH+](CCCC[NH2+][C@H](C)[C@@]3(C)CCCO3)CC2)c1 ZINC000551266879 505189477 /nfs/dbraw/zinc/18/94/77/505189477.db2.gz HATQIMSIXYZLJL-IFMALSPDSA-N 2 0 359.558 3.444 20 0 FGADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N2CC[NH+]3CCC2CC3)cc1 ZINC000551272011 505190406 /nfs/dbraw/zinc/19/04/06/505190406.db2.gz UTQBTDPYXWNXMJ-SFHVURJKSA-N 2 0 370.541 3.051 20 0 FGADRP CCC(C)(C)[NH2+][C@H](C)C(=O)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000557643111 505191534 /nfs/dbraw/zinc/19/15/34/505191534.db2.gz DVEADCINZWGDHL-GCJKJVERSA-N 2 0 357.542 3.278 20 0 FGADRP Cc1cc(C[NH+](C)C)cc(NC(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)c1 ZINC000557662949 505196650 /nfs/dbraw/zinc/19/66/50/505196650.db2.gz IDWPKNNZHAPMKT-LJQANCHMSA-N 2 0 361.555 3.213 20 0 FGADRP CSC1(C[NH2+][C@@H](C)c2cncc(Br)c2)CC[NH+](C)CC1 ZINC000566571769 505209985 /nfs/dbraw/zinc/20/99/85/505209985.db2.gz DHFBXWAOAUJZGJ-LBPRGKRZSA-N 2 0 358.349 3.322 20 0 FGADRP CC1CC[NH+](CCc2cccc(NC(=O)NC[C@@H]3CCC[NH2+]C3)c2)CC1 ZINC000561003795 505228441 /nfs/dbraw/zinc/22/84/41/505228441.db2.gz NZYBMUNFIRIUKB-LJQANCHMSA-N 2 0 358.530 3.082 20 0 FGADRP C[C@H](NC(=O)C[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)c1cccc2ccccc21 ZINC000566797106 505275041 /nfs/dbraw/zinc/27/50/41/505275041.db2.gz VUXPNEJCZMGGNO-YSIASYRMSA-N 2 0 365.521 3.339 20 0 FGADRP C[C@@H]1C[C@@H]1[N@@H+]1CCN(C(=O)c2ccc(Nc3cc[nH+]cc3)cc2)C[C@@H](C)C1 ZINC000558021115 505287802 /nfs/dbraw/zinc/28/78/02/505287802.db2.gz CZZWEMWNVARLGG-FVJLSDCUSA-N 2 0 364.493 3.049 20 0 FGADRP Cc1ccc(C[NH2+]CCCC[NH+]2C[C@H](C)O[C@@H](C)C2)c(-c2cnn(C)c2)c1 ZINC000554915669 505298602 /nfs/dbraw/zinc/29/86/02/505298602.db2.gz XSABMPNPIXLWCT-OALUTQOASA-N 2 0 370.541 3.375 20 0 FGADRP CSc1ccc([C@@H](CNC(=O)CC[N@@H+]2CCCC[C@H]2C)[NH+](C)C)cc1 ZINC000566937249 505315561 /nfs/dbraw/zinc/31/55/61/505315561.db2.gz SAXPTKFUKMHCBR-VQIMIIECSA-N 2 0 363.571 3.392 20 0 FGADRP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000555011022 505327792 /nfs/dbraw/zinc/32/77/92/505327792.db2.gz JZANIHXVQNWKJO-FQEVSTJZSA-N 2 0 357.542 3.380 20 0 FGADRP CC(C)[N@H+](C)CC1CC[NH+]([C@@H](C)C(=O)N2c3ccccc3C[C@H]2C)CC1 ZINC000551908426 505339657 /nfs/dbraw/zinc/33/96/57/505339657.db2.gz QTFLQYQFLCJECR-MSOLQXFVSA-N 2 0 357.542 3.405 20 0 FGADRP CCC[NH+]1CCC(NC(=O)N[C@@H](C[NH+](C)C)c2ccc(Cl)cc2)CC1 ZINC000555120626 505356117 /nfs/dbraw/zinc/35/61/17/505356117.db2.gz YBMCITSLDXKPRG-SFHVURJKSA-N 2 0 366.937 3.116 20 0 FGADRP O[C@@H](CCc1ccccc1)C[NH+]1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000564294055 505374320 /nfs/dbraw/zinc/37/43/20/505374320.db2.gz UTNUEQHRRGJERM-FQEVSTJZSA-N 2 0 361.489 3.351 20 0 FGADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH+]1CCC(CCCn2ccnc2)CC1 ZINC000558418560 505384067 /nfs/dbraw/zinc/38/40/67/505384067.db2.gz AALHWRKIQLKKHA-UHFFFAOYSA-N 2 0 364.497 3.465 20 0 FGADRP C[C@@H]1C[NH+](CC2CC[NH+](CCOc3ccccc3F)CC2)C[C@@H](C)O1 ZINC000555335654 505410424 /nfs/dbraw/zinc/41/04/24/505410424.db2.gz SYELAQMPAZHQES-IAGOWNOFSA-N 2 0 350.478 3.026 20 0 FGADRP CCC[NH+]1CCN(c2ccccc2CN2CC[C@H]([NH+]3CCCC3)[C@@H]2C)CC1 ZINC000564497852 505434461 /nfs/dbraw/zinc/43/44/61/505434461.db2.gz MXCGINHGVIBXCY-UNMCSNQZSA-N 2 0 370.585 3.277 20 0 FGADRP CCOc1ccc(C[NH+]2CCC(OCC[NH+](C)C)CC2)cc1OCC ZINC000552244997 505439672 /nfs/dbraw/zinc/43/96/72/505439672.db2.gz PVAFSKROHOELPJ-UHFFFAOYSA-N 2 0 350.503 3.027 20 0 FGADRP COc1cc(C)cc(C[NH2+]C[C@@H](O)Cn2cnc3cc(C)c(C)cc32)c1 ZINC000564562620 505453594 /nfs/dbraw/zinc/45/35/94/505453594.db2.gz JQNJHGNWDCWJBR-GOSISDBHSA-N 2 0 353.466 3.121 20 0 FGADRP CCC[NH+]1CCN(c2ccccc2CN2CC[C@]3(C2)CCC[N@H+](C)C3)CC1 ZINC000552356258 505470672 /nfs/dbraw/zinc/47/06/72/505470672.db2.gz KHVHWSVIDQTZNK-HSZRJFAPSA-N 2 0 370.585 3.136 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1)c1cccc(OC)c1 ZINC000561945710 505474649 /nfs/dbraw/zinc/47/46/49/505474649.db2.gz FVKSNGQXPMECBG-MBPVOVBZSA-N 2 0 373.541 3.115 20 0 FGADRP C[C@@H]([NH2+][C@@H](C)C(=O)N1CCCC[C@@H]1C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000561953249 505476968 /nfs/dbraw/zinc/47/69/68/505476968.db2.gz NHJNDDCAMNWKJA-JTJHWIPRSA-N 2 0 357.542 3.276 20 0 FGADRP CC(C)(C)[C@@H]1CC[C@H]1[NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000564674256 505488932 /nfs/dbraw/zinc/48/89/32/505488932.db2.gz CDUJKVBRPSOCSW-WOJBJXKFSA-N 2 0 357.542 3.427 20 0 FGADRP CC(C)(C)[C@@H]1CC[C@@H]1[NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000564674254 505489213 /nfs/dbraw/zinc/48/92/13/505489213.db2.gz CDUJKVBRPSOCSW-UXHICEINSA-N 2 0 357.542 3.427 20 0 FGADRP c1cn(-c2ccccc2C[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cn1 ZINC000567646096 505523560 /nfs/dbraw/zinc/52/35/60/505523560.db2.gz TYFJCHPXAYFDTQ-DENIHFKCSA-N 2 0 360.461 3.218 20 0 FGADRP CC1CC[NH+](Cc2cccc(C[NH2+]CCC(=O)Nc3cccnc3)c2)CC1 ZINC000564847579 505537356 /nfs/dbraw/zinc/53/73/56/505537356.db2.gz GGCQJZBDIVMZOT-UHFFFAOYSA-N 2 0 366.509 3.432 20 0 FGADRP CC[NH+]1CCC(NC(=O)NC[C@H](c2ccc(CC(C)C)cc2)[NH+](C)C)CC1 ZINC000562200836 505538306 /nfs/dbraw/zinc/53/83/06/505538306.db2.gz RZRGPGNFNDZGGJ-OAQYLSRUSA-N 2 0 374.573 3.271 20 0 FGADRP CC[C@H]1[NH2+]CC[C@H]1C(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000564922089 505558949 /nfs/dbraw/zinc/55/89/49/505558949.db2.gz HVLHZWKXYCUSHJ-IEBWSBKVSA-N 2 0 363.933 3.056 20 0 FGADRP C[NH+](C)CCc1ccc(C(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)cc1 ZINC000552829546 505561243 /nfs/dbraw/zinc/56/12/43/505561243.db2.gz NOHCWZVKNXFMIS-HXUWFJFHSA-N 2 0 369.509 3.341 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)[C@H]([NH3+])c1ccccc1C)Cc1ccccc1 ZINC000567776335 505562143 /nfs/dbraw/zinc/56/21/43/505562143.db2.gz XERYLVBEDNHYMU-PZJWPPBQSA-N 2 0 353.510 3.064 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)NCCCC[NH+](C)C ZINC000603286610 506476607 /nfs/dbraw/zinc/47/66/07/506476607.db2.gz LOYZVQUYQRIDOM-GOSISDBHSA-N 2 0 361.530 3.011 20 0 FGADRP CCOC(=O)C1([C@@H](C)[NH2+]Cc2ccc(Cl)c(Cl)c2)CC[NH2+]CC1 ZINC000596650302 506510444 /nfs/dbraw/zinc/51/04/44/506510444.db2.gz HADUOMLPYJEMNY-GFCCVEGCSA-N 2 0 359.297 3.404 20 0 FGADRP Cc1ccc(NC(=O)[C@H]2CCC[N@H+](Cc3cccnc3)C2)c(C[NH+](C)C)c1 ZINC000603694539 506596835 /nfs/dbraw/zinc/59/68/35/506596835.db2.gz DMTKOVZYZUNJDR-IBGZPJMESA-N 2 0 366.509 3.302 20 0 FGADRP CCC[NH+]1CCC(CNC(=O)N2CC[C@H]([N@H+](C)Cc3ccccc3)C2)CC1 ZINC000608661413 506653543 /nfs/dbraw/zinc/65/35/43/506653543.db2.gz UODALVDBXQGTRD-NRFANRHFSA-N 2 0 372.557 3.024 20 0 FGADRP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)NCc1ccc(C[NH+]2CCC[C@@H](C)C2)cc1 ZINC000583235595 506664565 /nfs/dbraw/zinc/66/45/65/506664565.db2.gz FLLWQHBPFCDEJE-RTBURBONSA-N 2 0 374.573 3.446 20 0 FGADRP CC[NH+](Cc1ccc(C[N@H+](CC)C[C@H]2CCOC2)cc1)C[C@H]1CCOC1 ZINC000604054181 506700693 /nfs/dbraw/zinc/70/06/93/506700693.db2.gz YFNCYKIMMODPPU-FGZHOGPDSA-N 2 0 360.542 3.403 20 0 FGADRP CCc1ccc([C@H]2C[NH2+]CCN2C(=O)CC[C@@H]([NH3+])c2ccccc2)cc1 ZINC000583311693 506711013 /nfs/dbraw/zinc/71/10/13/506711013.db2.gz GBLREYLRYPNJJO-NHCUHLMSSA-N 2 0 351.494 3.202 20 0 FGADRP Cc1cccc(CN(CC[NH+](C)C)C(=O)NC[C@H](C)[N@@H+]2CCCC[C@H]2C)c1 ZINC000604171466 506734213 /nfs/dbraw/zinc/73/42/13/506734213.db2.gz NUINIBVQJFKXDR-UXHICEINSA-N 2 0 374.573 3.331 20 0 FGADRP CC(C)CN(CC[NH+](C)C)C(=O)N[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000604204341 506750960 /nfs/dbraw/zinc/75/09/60/506750960.db2.gz DXXBJFLPEZAUKK-NRFANRHFSA-N 2 0 374.573 3.443 20 0 FGADRP CN1CCc2[nH]c3ccc(C(=O)NC4CCC(C[NH+](C)C)CC4)cc3c2C1 ZINC000612797013 506751711 /nfs/dbraw/zinc/75/17/11/506751711.db2.gz UIFJZVUYJOFRSZ-UHFFFAOYSA-N 2 0 368.525 3.006 20 0 FGADRP COC(=O)c1cc2cc(C[N@@H+]3CCCC[C@@H]3[C@H]3C[C@H]([NH3+])CCO3)ccc2o1 ZINC000593730153 506752772 /nfs/dbraw/zinc/75/27/72/506752772.db2.gz KVQLZCCGLNVTDN-ZHALLVOQSA-N 2 0 372.465 3.080 20 0 FGADRP O=C([C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000593829986 506793884 /nfs/dbraw/zinc/79/38/84/506793884.db2.gz GKBVTUCANHYHOK-PZJWPPBQSA-N 2 0 373.516 3.125 20 0 FGADRP CC[NH+](CC)Cc1ccc(C(=O)Nc2ccnn2C2CC[NH+](CC)CC2)o1 ZINC000594011477 506881628 /nfs/dbraw/zinc/88/16/28/506881628.db2.gz DMLIYNFSMAECBG-UHFFFAOYSA-N 2 0 373.501 3.227 20 0 FGADRP CC(C)[N@H+](C)CC1CC[NH+]([C@@H](C)C(=O)N2CCc3ccccc3C2)CC1 ZINC000590818870 506979854 /nfs/dbraw/zinc/97/98/54/506979854.db2.gz DTFMYNFWLMKKBE-SFHVURJKSA-N 2 0 357.542 3.012 20 0 FGADRP Cc1cc2ncn(C[C@@H](O)C[NH2+]CCCCC[NH+]3CCCCC3)c2cc1C ZINC000583867269 507019009 /nfs/dbraw/zinc/01/90/09/507019009.db2.gz XWXHMPDJPQOPNV-FQEVSTJZSA-N 2 0 372.557 3.260 20 0 FGADRP CC(C)[N@H+](C)CC1CCN(C(=O)NCC[NH+]2[C@H](C)CCC[C@@H]2C)CC1 ZINC000594316882 507077507 /nfs/dbraw/zinc/07/75/07/507077507.db2.gz GQGXUEPWXTWJPE-HDICACEKSA-N 2 0 352.567 3.011 20 0 FGADRP CCCC[N@H+](C)CC1CC[NH+](C[C@H](O)COc2c(C)cccc2C)CC1 ZINC000613491355 507117626 /nfs/dbraw/zinc/11/76/26/507117626.db2.gz PAUZJCZNIOMDAL-NRFANRHFSA-N 2 0 362.558 3.487 20 0 FGADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CC[C@H]([NH+]3CCCCC3)C2)C1 ZINC000600888455 507162659 /nfs/dbraw/zinc/16/26/59/507162659.db2.gz WNXZDNKWPYYPHI-MOPGFXCFSA-N 2 0 364.578 3.157 20 0 FGADRP O=C(Nc1cccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)c1)c1ccccn1 ZINC000584226042 507223933 /nfs/dbraw/zinc/22/39/33/507223933.db2.gz BSXILQBSZAHARS-VAMGGRTRSA-N 2 0 364.493 3.344 20 0 FGADRP C[N@@H+]1CCCC[C@H]1C(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000601003534 507223959 /nfs/dbraw/zinc/22/39/59/507223959.db2.gz JTPFXDUSNYMNJJ-IBGZPJMESA-N 2 0 363.933 3.153 20 0 FGADRP C[C@H](c1ccccc1)[C@H](O)C[NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000584227955 507224834 /nfs/dbraw/zinc/22/48/34/507224834.db2.gz UKLSGWGJSFBWGA-WZONZLPQSA-N 2 0 368.521 3.414 20 0 FGADRP C[C@@H](c1ccccc1)[C@@H](O)C[NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000584227954 507225487 /nfs/dbraw/zinc/22/54/87/507225487.db2.gz UKLSGWGJSFBWGA-MBSDFSHPSA-N 2 0 368.521 3.414 20 0 FGADRP CC[NH+](CC)CCCNC(=O)[C@@H](C)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000601043433 507240305 /nfs/dbraw/zinc/24/03/05/507240305.db2.gz ZDOAUSMLZHLWOC-LJQANCHMSA-N 2 0 359.558 3.178 20 0 FGADRP C[C@H](CNC(=O)c1ccccc1OCC[N@@H+]1CCCC[C@@H]1C)[NH+](C)C1CC1 ZINC000591456244 507257551 /nfs/dbraw/zinc/25/75/51/507257551.db2.gz HFAOZPCVWRWKQF-ZWKOTPCHSA-N 2 0 373.541 3.152 20 0 FGADRP C[C@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+]CCN1CC[C@@H](C)C1 ZINC000584491725 507374319 /nfs/dbraw/zinc/37/43/19/507374319.db2.gz XWWJHZQKCTWDOY-ZIAGYGMSSA-N 2 0 357.420 3.354 20 0 FGADRP CC[NH+](CC)Cc1cccc(CNC(=O)N[C@H](C)C2CC[NH+](C)CC2)c1 ZINC000606636325 507460323 /nfs/dbraw/zinc/46/03/23/507460323.db2.gz CENFMOLAFRGDHF-QGZVFWFLSA-N 2 0 360.546 3.058 20 0 FGADRP C[C@@H](NC(=O)N1CCC[N@H+](CC2CCCCC2)CC1)C1CC[NH+](C)CC1 ZINC000606702065 507487662 /nfs/dbraw/zinc/48/76/62/507487662.db2.gz PFPMLCAEIVBDMF-GOSISDBHSA-N 2 0 364.578 3.014 20 0 FGADRP C[C@@H](NC(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1)C1CC[NH+](C)CC1 ZINC000606701061 507488185 /nfs/dbraw/zinc/48/81/85/507488185.db2.gz VJASYOQLHUTTNU-GOSISDBHSA-N 2 0 372.557 3.023 20 0 FGADRP COCCc1nc(C)c([C@H](C)[NH2+]CC2(SC)CC[NH+](C)CC2)s1 ZINC000584809109 507516492 /nfs/dbraw/zinc/51/64/92/507516492.db2.gz BCGVOBVUHZFOOU-ZDUSSCGKSA-N 2 0 357.589 3.118 20 0 FGADRP CCOC(=O)C1([C@@H](C)[NH2+]Cc2ccsc2C(F)(F)F)CC[NH2+]CC1 ZINC000602019565 507557587 /nfs/dbraw/zinc/55/75/87/507557587.db2.gz GVTMKAFTPVOKOZ-LLVKDONJSA-N 2 0 364.433 3.178 20 0 FGADRP COC(=O)COc1c(C)cc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cc1C ZINC000592433662 507655018 /nfs/dbraw/zinc/65/50/18/507655018.db2.gz OFTNTHRUZKCPDQ-UXHICEINSA-N 2 0 374.525 3.067 20 0 FGADRP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)NCC1CC[NH+](CCC)CC1 ZINC000595810063 507697772 /nfs/dbraw/zinc/69/77/72/507697772.db2.gz IQQQHZYTCHCHEU-IBGZPJMESA-N 2 0 352.567 3.062 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000669117922 568038503 /nfs/dbraw/zinc/03/85/03/568038503.db2.gz WWOYBJMHMNRKKA-YLJYHZDGSA-N 2 0 358.530 3.002 20 0 FGADRP Fc1ccc(-c2nn[nH]n2)c(C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)c1 ZINC000822757869 607059033 /nfs/dbraw/zinc/05/90/33/607059033.db2.gz GSAOZJIHSYRQKV-UHFFFAOYSA-N 2 0 372.492 3.094 20 0 FGADRP CC[N@H+](CCC1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1)CC1CC1 ZINC000825419051 608882513 /nfs/dbraw/zinc/88/25/13/608882513.db2.gz FHTGPDAAXJUGSJ-UHFFFAOYSA-N 2 0 368.529 3.201 20 0 FGADRP C[C@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)c1ccccc1Br ZINC000020007156 695641401 /nfs/dbraw/zinc/64/14/01/695641401.db2.gz SQXKLTWEJJXXFA-AWEZNQCLSA-N 2 0 354.336 3.126 20 0 FGADRP Cc1ncc([C@@H](C)[NH2+]CCCN2CC[N@H+](C)C[C@@H]2c2ccccc2)s1 ZINC000090402393 700402529 /nfs/dbraw/zinc/40/25/29/700402529.db2.gz NOTJBOFJVSZYIL-VQIMIIECSA-N 2 0 358.555 3.481 20 0 FGADRP CCc1nn(C)c(Cl)c1C[NH+]1CCC(CCC[N@H+](C)CCOC)CC1 ZINC000093769392 700454204 /nfs/dbraw/zinc/45/42/04/700454204.db2.gz XJCDJASSZKRLQJ-UHFFFAOYSA-N 2 0 370.969 3.206 20 0 FGADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1sc2ccccc2c1Cl ZINC000103211596 700482376 /nfs/dbraw/zinc/48/23/76/700482376.db2.gz PPSHVTBBIBFJAS-UHFFFAOYSA-N 2 0 353.919 3.120 20 0 FGADRP CN(CC[N@H+](C)Cc1cc(Cl)nc2ccccc12)C1CC[NH+](C)CC1 ZINC000129513038 700788720 /nfs/dbraw/zinc/78/87/20/700788720.db2.gz PXICMHQXTCPLEN-UHFFFAOYSA-N 2 0 360.933 3.346 20 0 FGADRP CCC[NH+]1CCN(c2ccccc2C[NH2+]C[C@H]2CSCCS2)CC1 ZINC000151104404 704912484 /nfs/dbraw/zinc/91/24/84/704912484.db2.gz NHYNHKBRMNQTAV-SFHVURJKSA-N 2 0 365.612 3.157 20 0 FGADRP CC[NH+]1CCN(c2ccc(C[NH2+][C@H](C)c3ccnc(Cl)c3)cn2)CC1 ZINC000159511380 705226239 /nfs/dbraw/zinc/22/62/39/705226239.db2.gz ZVEOBJLWBBPIRW-OAHLLOKOSA-N 2 0 359.905 3.123 20 0 FGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H]2CCSc3c(F)cccc32)CC1 ZINC000178693915 705672797 /nfs/dbraw/zinc/67/27/97/705672797.db2.gz RZJFKSJCRJHIHQ-QAPCUYQASA-N 2 0 351.535 3.226 20 0 FGADRP C[C@@H](C[NH2+]C[C@]1(C)CCN(C(=O)OC(C)(C)C)C1)C[NH+]1CCCCC1 ZINC000195191806 713548407 /nfs/dbraw/zinc/54/84/07/713548407.db2.gz VSANCCDWPKZAOJ-PXNSSMCTSA-N 2 0 353.551 3.345 20 0 FGADRP CC(C)C[NH+]1CCC([NH2+]C[C@@]2(C)CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000195188329 713548448 /nfs/dbraw/zinc/54/84/48/713548448.db2.gz JOGNGPFMUAFZFD-HXUWFJFHSA-N 2 0 353.551 3.344 20 0 FGADRP CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000247169172 713636318 /nfs/dbraw/zinc/63/63/18/713636318.db2.gz QYBKHXODXIABOV-RYRKJORJSA-N 2 0 351.535 3.144 20 0 FGADRP Clc1ccc(OC[C@@H]2CCCO2)c(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)c1 ZINC000262029383 713717510 /nfs/dbraw/zinc/71/75/10/713717510.db2.gz NWNDDUYAAQKYJJ-SFHVURJKSA-N 2 0 364.917 3.473 20 0 FGADRP C[C@@H](C(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1)[C@H]([NH3+])c1ccccc1 ZINC000263021635 713734236 /nfs/dbraw/zinc/73/42/36/713734236.db2.gz SQLKIKFYMXDBNT-BZNIZROVSA-N 2 0 351.372 3.439 20 0 FGADRP C[C@H]([NH2+][C@@H](CNC(=O)OC(C)(C)C)C1CCCC1)C1CC[NH+](C)CC1 ZINC000302061669 713782742 /nfs/dbraw/zinc/78/27/42/713782742.db2.gz QUMMKHNECZYVOA-YJBOKZPZSA-N 2 0 353.551 3.390 20 0 FGADRP C[C@@H]1CN(Cc2cccc(C(F)(F)F)c2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000374296351 713911631 /nfs/dbraw/zinc/91/16/31/713911631.db2.gz NBOPQCNJWYCRIX-QAPCUYQASA-N 2 0 355.448 3.163 20 0 FGADRP C[C@H]([NH2+]C[C@@H](O)COc1c(Cl)cccc1Cl)C1CC[NH+](C)CC1 ZINC000396460437 713991343 /nfs/dbraw/zinc/99/13/43/713991343.db2.gz POZHKRVGRIVAQS-GXTWGEPZSA-N 2 0 361.313 3.053 20 0 FGADRP C[C@@H]1CC[C@](CO)([NH+](C)CCCCC[N@@H+](C)[C@@]2(CO)CC[C@H](C)C2)C1 ZINC000495250171 714105977 /nfs/dbraw/zinc/10/59/77/714105977.db2.gz PUZQDXUTXBVJRD-WOZUAGRISA-N 2 0 354.579 3.123 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1)c1ccsc1 ZINC000522080403 714169225 /nfs/dbraw/zinc/16/92/25/714169225.db2.gz CVEJKPCATUYZKV-QZTJIDSGSA-N 2 0 364.559 3.009 20 0 FGADRP C[C@H](CC[NH+](C)C)NC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000523813209 714253998 /nfs/dbraw/zinc/25/39/98/714253998.db2.gz KYFZYHBVYBEUNQ-CRAIPNDOSA-N 2 0 366.937 3.116 20 0 FGADRP COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000642630908 717985687 /nfs/dbraw/zinc/98/56/87/717985687.db2.gz QPRSQXCHIPQCLG-NUEKZKHPSA-N 2 0 365.905 3.282 20 0 FGADRP CC[NH+](CC)CC1CC[NH+](C[C@@H](O)COc2ccccc2Cl)CC1 ZINC000642643652 717986405 /nfs/dbraw/zinc/98/64/05/717986405.db2.gz MRBHXUMQCDEYIS-QGZVFWFLSA-N 2 0 354.922 3.134 20 0 FGADRP CCN(CC(=O)Nc1nc2ccc(C[N@H+](C)C3CC3)cc2s1)C1CC1 ZINC000617866345 714697859 /nfs/dbraw/zinc/69/78/59/714697859.db2.gz JHOFAKZMAVAKAU-UHFFFAOYSA-N 2 0 358.511 3.313 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)N[C@@H]1CCC[N@H+](C)C1)c1ccccc1Cl ZINC000618547099 714756377 /nfs/dbraw/zinc/75/63/77/714756377.db2.gz BNYFWZLJYLZQAA-QAPCUYQASA-N 2 0 366.937 3.116 20 0 FGADRP CC[NH+](CC)CC1CCN(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)CC1 ZINC000643216145 718019843 /nfs/dbraw/zinc/01/98/43/718019843.db2.gz LPIPAKMTJFOIKM-UHFFFAOYSA-N 2 0 352.567 3.059 20 0 FGADRP O=C(CC[C@@H]1CCC[NH2+]C1)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000621641860 715013894 /nfs/dbraw/zinc/01/38/94/715013894.db2.gz YVHFREHKTWMFPY-QFBILLFUSA-N 2 0 363.933 3.373 20 0 FGADRP Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)CC[C@@H]1CCC[NH2+]C1 ZINC000621644324 715014123 /nfs/dbraw/zinc/01/41/23/715014123.db2.gz UNJFSJVMZJXPES-KRWDZBQOSA-N 2 0 361.555 3.262 20 0 FGADRP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCN(c3ccc(Br)cc3)C2)CC1(C)C ZINC000623399249 715327334 /nfs/dbraw/zinc/32/73/34/715327334.db2.gz CZHQMBHTSSKPJV-JKSUJKDBSA-N 2 0 366.347 3.490 20 0 FGADRP COc1cc(CN[C@H]2CC[N@H+](C)C(C)(C)C2)cc(Br)c1OC ZINC000623404734 715329042 /nfs/dbraw/zinc/32/90/42/715329042.db2.gz IUZWJVJNWWYSOE-ZDUSSCGKSA-N 2 0 371.319 3.429 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)NC[C@H]1CCCC[N@H+](C)C1)c1ccsc1 ZINC000623420825 715332286 /nfs/dbraw/zinc/33/22/86/715332286.db2.gz PLOLFAQKLYQSOZ-SJLPKXTDSA-N 2 0 366.575 3.162 20 0 FGADRP Cc1cc(C[NH2+]CCCC[NH+]2C[C@@H](C)O[C@H](C)C2)ncc1Br ZINC000623424823 715334082 /nfs/dbraw/zinc/33/40/82/715334082.db2.gz GIRYIDQGCQTGJN-HUUCEWRRSA-N 2 0 370.335 3.132 20 0 FGADRP C[N@@H+]1CC[C@H]([NH2+]C[C@@H](CO)Cc2ccc(C(F)(F)F)cc2)CC1(C)C ZINC000623454519 715339896 /nfs/dbraw/zinc/33/98/96/715339896.db2.gz ILLQLTOISQBTBK-RDJZCZTQSA-N 2 0 358.448 3.319 20 0 FGADRP O[C@@H]1CC[N@H+](Cc2ccc(CNCc3c(F)ccc(F)c3Cl)cc2)C1 ZINC000623563519 715362319 /nfs/dbraw/zinc/36/23/19/715362319.db2.gz APBCXMNUJAXQQB-OAHLLOKOSA-N 2 0 366.839 3.475 20 0 FGADRP C[C@@H](C[NH2+][C@@H]1CCCc2c3cc(Cl)ccc3[nH]c21)N1CC[NH+](C)CC1 ZINC000623888857 715424900 /nfs/dbraw/zinc/42/49/00/715424900.db2.gz WJDQRHBGMASQBJ-IFXJQAMLSA-N 2 0 360.933 3.424 20 0 FGADRP Cc1ccc(Br)cc1[C@H](C)[NH2+][C@H](C)CN1CC[NH+](C)CC1 ZINC000623889926 715425632 /nfs/dbraw/zinc/42/56/32/715425632.db2.gz ZOOAAWNMVVNHAW-CABCVRRESA-N 2 0 354.336 3.044 20 0 FGADRP CN1CCO[C@H]([C@@H](NC[C@H]2CCCC[N@H+](C)C2)c2ccc(Cl)cc2)C1 ZINC000624122585 715477611 /nfs/dbraw/zinc/47/76/11/715477611.db2.gz WDOOKMVCKQVTEJ-UXPWSPDFSA-N 2 0 365.949 3.033 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CC1CCC(F)(F)CC1 ZINC000625022835 715644005 /nfs/dbraw/zinc/64/40/05/715644005.db2.gz COICKLLANVMFPY-KRWDZBQOSA-N 2 0 359.505 3.077 20 0 FGADRP CC1(C)C[NH+](CCCCCCCCC[N@@H+]2C[C@H](O)C(C)(C)C2)C[C@@H]1O ZINC000790448479 723141268 /nfs/dbraw/zinc/14/12/68/723141268.db2.gz BNERMLLWIVKFHI-OALUTQOASA-N 2 0 354.579 3.123 20 0 FGADRP C[NH+](C)C[C@H](NC(=O)CC1CC[NH+](C)CC1)c1ccc(Cl)c(Cl)c1 ZINC000628969175 716193554 /nfs/dbraw/zinc/19/35/54/716193554.db2.gz OZGXNPCXUARHEB-KRWDZBQOSA-N 2 0 372.340 3.444 20 0 FGADRP CC(C)(NC[C@H](O)[C@@H]([NH3+])Cc1ccccc1)c1nc2ccccc2s1 ZINC000629544111 716304967 /nfs/dbraw/zinc/30/49/67/716304967.db2.gz FOTJFTMTOMBRBY-RDJZCZTQSA-N 2 0 355.507 3.052 20 0 FGADRP Fc1cc2[nH]cc(CC[NH2+][C@@H]3CCOC[C@H]3[C@H]3CCC[NH2+]3)c2cc1Cl ZINC000629544770 716305197 /nfs/dbraw/zinc/30/51/97/716305197.db2.gz JIFBEWZTRDSMIC-BMGDILEWSA-N 2 0 365.880 3.250 20 0 FGADRP O[C@H](C[NH2+][C@H]1CCCN(c2ccc(Cl)cc2Cl)C1)C[NH+]1CCCC1 ZINC000629574073 716311022 /nfs/dbraw/zinc/31/10/22/716311022.db2.gz GEUJZDIOKIGTMD-JKSUJKDBSA-N 2 0 372.340 3.009 20 0 FGADRP CC[C@@H](C)[C@@H](C[N@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1)OC ZINC000638136919 717411532 /nfs/dbraw/zinc/41/15/32/717411532.db2.gz PBAIYZFBOKXXTQ-WIYYLYMNSA-N 2 0 353.595 3.176 20 0 FGADRP C[NH+](C)C[C@H](NC(=O)c1ccc(C[NH3+])o1)c1ccc(Cl)c(Cl)c1 ZINC000638662610 717473389 /nfs/dbraw/zinc/47/33/89/717473389.db2.gz AWSNSQAAWNTSIT-AWEZNQCLSA-N 2 0 356.253 3.078 20 0 FGADRP C[C@H]1CCC[N@H+](CCCC[NH2+]C[C@H](O)COc2ccccc2Cl)C1 ZINC000644521960 718117748 /nfs/dbraw/zinc/11/77/48/718117748.db2.gz JTBOLNFMQLRTTI-IRXDYDNUSA-N 2 0 354.922 3.181 20 0 FGADRP C[C@@H]1CCC[N@H+](CCCC[NH2+]C[C@@H](O)COc2ccc(Cl)cc2)C1 ZINC000644521986 718118050 /nfs/dbraw/zinc/11/80/50/718118050.db2.gz MSIQOWWNUWTWOB-SJLPKXTDSA-N 2 0 354.922 3.181 20 0 FGADRP CCC[N@H+](C)[C@H](CNC(=O)C1([NH+](C)C)CCC1)c1ccc(Cl)cc1 ZINC000804126609 724488126 /nfs/dbraw/zinc/48/81/26/724488126.db2.gz ARAORJLBUSEYGY-QGZVFWFLSA-N 2 0 351.922 3.323 20 0 FGADRP CC[C@H]1C[N@H+](Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)CC[C@H]1[NH3+] ZINC000647497698 718364262 /nfs/dbraw/zinc/36/42/62/718364262.db2.gz RQFFLCWODHMLSM-GOEBONIOSA-N 2 0 352.404 3.450 20 0 FGADRP Brc1cc2c(c(C[NH+]3CCC([C@H]4CC[NH2+]C4)CC3)c1)OCC2 ZINC000647542050 718366632 /nfs/dbraw/zinc/36/66/32/718366632.db2.gz KSAGTGXQUGOUDG-HNNXBMFYSA-N 2 0 365.315 3.206 20 0 FGADRP C[C@H](C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)Oc1cccc(Br)c1 ZINC000647788565 718377664 /nfs/dbraw/zinc/37/76/64/718377664.db2.gz MCYYJYQWCREEAT-HLPPOEQASA-N 2 0 353.304 3.194 20 0 FGADRP C[C@H](C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)Oc1ccccc1Br ZINC000647789023 718377772 /nfs/dbraw/zinc/37/77/72/718377772.db2.gz WZPNFRPQKPQLSY-CBBWQLFWSA-N 2 0 353.304 3.194 20 0 FGADRP Brc1ccccc1N1CC[C@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000647784190 718377792 /nfs/dbraw/zinc/37/77/92/718377792.db2.gz LUPBWTOFGMXNSB-JJXSEGSLSA-N 2 0 364.331 3.006 20 0 FGADRP C[C@@H](C[N@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1)c1cc(F)cc(F)c1 ZINC000648586024 718438141 /nfs/dbraw/zinc/43/81/41/718438141.db2.gz SLWPHRLVAGZVCE-YWZLYKJASA-N 2 0 351.485 3.169 20 0 FGADRP C[C@H](C[N@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1cc(F)cc(F)c1 ZINC000648586021 718438321 /nfs/dbraw/zinc/43/83/21/718438321.db2.gz SLWPHRLVAGZVCE-FOIQADDNSA-N 2 0 351.485 3.169 20 0 FGADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)[C@H]([NH3+])c1cccc(Cl)c1 ZINC000649288471 718501113 /nfs/dbraw/zinc/50/11/13/718501113.db2.gz TWHZFNARCSXHBG-LJQANCHMSA-N 2 0 359.901 3.496 20 0 FGADRP CC(C)[N@H+](C)Cc1cccc(CNC(=O)[C@H]([NH3+])c2cccc(Cl)c2)c1 ZINC000649306878 718502817 /nfs/dbraw/zinc/50/28/17/718502817.db2.gz WFVFGPLMZKBBSX-LJQANCHMSA-N 2 0 359.901 3.496 20 0 FGADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@@H+]2Cc2ccc(Br)s2)C1 ZINC000650721884 718719925 /nfs/dbraw/zinc/71/99/25/718719925.db2.gz FAHYUVNGDQGMHY-KWCYVHTRSA-N 2 0 359.333 3.371 20 0 FGADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2Cc2cccc(OC(F)(F)F)c2)C1 ZINC000650723257 718720524 /nfs/dbraw/zinc/72/05/24/718720524.db2.gz KKPPDPYDFURYDN-OIISXLGYSA-N 2 0 358.404 3.446 20 0 FGADRP C[NH+]1CCC(N2CC[C@H]([NH2+][C@@H]3CCc4ccc(F)c(Cl)c43)C2)CC1 ZINC000651709097 718853918 /nfs/dbraw/zinc/85/39/18/718853918.db2.gz KLXQTIHKHPIYQL-WMLDXEAASA-N 2 0 351.897 3.225 20 0 FGADRP CC[N@H+](CCC[NH2+]C1CCC(CS(C)(=O)=O)CC1)C1CCCCC1 ZINC000651910078 718888502 /nfs/dbraw/zinc/88/85/02/718888502.db2.gz GKEUOMVCLGDUAO-UHFFFAOYSA-N 2 0 358.592 3.224 20 0 FGADRP [NH3+]C[C@]12CCC[C@H]1C[N@@H+]([C@@H]1CCN(c3ccc(Cl)c(Cl)c3)C1=O)C2 ZINC000652352599 718935868 /nfs/dbraw/zinc/93/58/68/718935868.db2.gz CUDVNTWEJDXNOT-XZOAIXRZSA-N 2 0 368.308 3.160 20 0 FGADRP C[C@H]1C[C@H](C[NH3+])CN1C(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000652613549 718966368 /nfs/dbraw/zinc/96/63/68/718966368.db2.gz WBXGMNOGJPLXOI-JKSUJKDBSA-N 2 0 362.543 3.076 20 0 FGADRP CCC(CC)[C@@H](CNC1CC[NH+](C[C@@H]2CCCO2)CC1)[NH+]1CCCC1 ZINC000655687518 719325474 /nfs/dbraw/zinc/32/54/74/719325474.db2.gz ZBFKYNQPLBWMOA-LEWJYISDSA-N 2 0 351.579 3.120 20 0 FGADRP CC[NH+]1CCN([C@H](C)C[NH2+]Cc2ccc(-c3scnc3C)cc2)CC1 ZINC000657310848 719623624 /nfs/dbraw/zinc/62/36/24/719623624.db2.gz PHDZHHAGXZVKMT-MRXNPFEDSA-N 2 0 358.555 3.234 20 0 FGADRP C[C@@H]1C[N@@H+](CCCC[NH2+]Cc2cccc(OC3CC3)c2F)C[C@H](C)O1 ZINC000657368516 719634695 /nfs/dbraw/zinc/63/46/95/719634695.db2.gz XZPZEVLNFCLCPI-IYBDPMFKSA-N 2 0 350.478 3.346 20 0 FGADRP FC(F)(F)c1cnc(C[NH2+]CC2CC[NH+](C3CCOCC3)CC2)s1 ZINC000657537469 719668286 /nfs/dbraw/zinc/66/82/86/719668286.db2.gz LZXRVORCQNFPHC-UHFFFAOYSA-N 2 0 363.449 3.143 20 0 FGADRP Clc1ccc(C[NH2+]CC2CC[NH+](CC3CC3)CC2)c(-n2cncn2)c1 ZINC000657813651 719716311 /nfs/dbraw/zinc/71/63/11/719716311.db2.gz WLSFYQDCKKSATI-UHFFFAOYSA-N 2 0 359.905 3.132 20 0 FGADRP C[N@@H+]1CCN(CCC[NH2+]C2CC(CF)(CF)C2)[C@@H](c2ccccc2)C1 ZINC000657833509 719718828 /nfs/dbraw/zinc/71/88/28/719718828.db2.gz GHKGUOYCZQKMSM-LJQANCHMSA-N 2 0 351.485 3.043 20 0 FGADRP C[C@H](Cc1ccc(Cl)c(C(F)(F)F)c1)[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000657846725 719720075 /nfs/dbraw/zinc/72/00/75/719720075.db2.gz QAZSOHHMJQSCSW-TZMCWYRMSA-N 2 0 364.839 3.336 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H](N[C@H]2CC[NH+](C3CCCCC3)C2)[C@H](C)C1 ZINC000658230271 719772059 /nfs/dbraw/zinc/77/20/59/719772059.db2.gz XKHLGPVAFVYZJU-DYXWJJEUSA-N 2 0 351.579 3.120 20 0 FGADRP CO[C@H](C[N@H+](C)[C@H]1CCC[NH+](C[C@@H](OC)C2CCC2)CC1)C1CCC1 ZINC000660124246 719993703 /nfs/dbraw/zinc/99/37/03/719993703.db2.gz GPCMFSVUDFRCOY-PWRODBHTSA-N 2 0 352.563 3.403 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C)c1ccsc1 ZINC000660338948 720032826 /nfs/dbraw/zinc/03/28/26/720032826.db2.gz NSTJUPUPRLRRHR-IAGOWNOFSA-N 2 0 366.575 3.303 20 0 FGADRP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)CC3(O)CCSCC3)C2)s1 ZINC000660497953 720060543 /nfs/dbraw/zinc/06/05/43/720060543.db2.gz UULKNYHMGYIGCC-MRXNPFEDSA-N 2 0 354.585 3.068 20 0 FGADRP C[N@@H+]1CC[C@]2(C1)CCC[NH+](CCC(=O)Nc1ccc(Cl)cc1F)C2 ZINC000660654052 720090880 /nfs/dbraw/zinc/09/08/80/720090880.db2.gz CFOYBPKXVVDGCB-SFHVURJKSA-N 2 0 353.869 3.225 20 0 FGADRP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C[C@@H](O)Cc1ccccc1C(F)(F)F)C2 ZINC000660659897 720094257 /nfs/dbraw/zinc/09/42/57/720094257.db2.gz SARWNMQYLJTMSV-FUHWJXTLSA-N 2 0 356.432 3.027 20 0 FGADRP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1cc(OC(C)C)cc[nH+]1)C2 ZINC001164809131 720126320 /nfs/dbraw/zinc/12/63/20/720126320.db2.gz HGRKNLUSZQBWLG-WIYYLYMNSA-N 2 0 359.514 3.054 20 0 FGADRP CC(C)[NH+]1CCN(CCC[NH2+][C@H]2C[C@H](OC(C)(C)C)C23CCC3)CC1 ZINC000661841428 720329869 /nfs/dbraw/zinc/32/98/69/720329869.db2.gz PLXMEEMWHKEBTB-OALUTQOASA-N 2 0 351.579 3.118 20 0 FGADRP [NH3+][C@H]1CCO[C@@H](C2CC[NH+](CCSc3ccc(F)cc3F)CC2)C1 ZINC000662280912 720409110 /nfs/dbraw/zinc/40/91/10/720409110.db2.gz HIZDPIATCLMMFH-DOTOQJQBSA-N 2 0 356.482 3.275 20 0 FGADRP C[NH2+]CCCC(=O)N1CCC([NH2+][C@@H](C)c2ccc(F)c(Cl)c2)CC1 ZINC000665285102 720750206 /nfs/dbraw/zinc/75/02/06/720750206.db2.gz CNAHSQDXDUNBLC-ZDUSSCGKSA-N 2 0 355.885 3.120 20 0 FGADRP Clc1ccc(OC[C@H]2CCCO2)c(C[NH2+][C@H]2CC23CC[NH2+]CC3)c1 ZINC000666953954 721004788 /nfs/dbraw/zinc/00/47/88/721004788.db2.gz LUNQSKAIGFMGAT-AEFFLSMTSA-N 2 0 350.890 3.130 20 0 FGADRP Cc1nn(Cc2ccccc2Cl)c(C)c1C[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000666954068 721005316 /nfs/dbraw/zinc/00/53/16/721005316.db2.gz PAZMKIXMIXJCOL-IBGZPJMESA-N 2 0 358.917 3.433 20 0 FGADRP FC(F)Oc1cccc(Cl)c1C[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000666978956 721008315 /nfs/dbraw/zinc/00/83/15/721008315.db2.gz NTVABGSQWGONBU-UHFFFAOYSA-N 2 0 373.875 3.247 20 0 FGADRP C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+][C@H]1CC[NH2+]C2(CCC2)C1 ZINC000666995206 721010591 /nfs/dbraw/zinc/01/05/91/721010591.db2.gz GHLWTRBSVNCJKX-QAPCUYQASA-N 2 0 363.933 3.341 20 0 FGADRP CC[NH+]1CCC(N2CCC[N@H+](Cc3cc4ccncc4s3)CC2)CC1 ZINC000668244627 721262222 /nfs/dbraw/zinc/26/22/22/721262222.db2.gz GQQUTPKQHBKDQI-UHFFFAOYSA-N 2 0 358.555 3.288 20 0 FGADRP CCC[N@H+](C)[C@H](CNC(=O)[C@@H]1CCCC[NH+]1C)c1ccc(Cl)cc1 ZINC000672053241 721620054 /nfs/dbraw/zinc/62/00/54/721620054.db2.gz YICHWCPHQRBGAI-ZWKOTPCHSA-N 2 0 351.922 3.323 20 0 FGADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000675191746 721737177 /nfs/dbraw/zinc/73/71/77/721737177.db2.gz AXBBDTBFRIGXJP-ROUUACIJSA-N 2 0 366.937 3.116 20 0 FGADRP C[C@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)c1cccc(OC(F)(F)F)c1 ZINC000675742746 721771848 /nfs/dbraw/zinc/77/18/48/721771848.db2.gz WKOLKSKTYYHPOV-AWEZNQCLSA-N 2 0 359.436 3.262 20 0 FGADRP C[C@H]([NH2+]CC1(N2CCOC(C)(C)C2)CCCCC1)C1CC[NH+](C)CC1 ZINC000675835221 721776430 /nfs/dbraw/zinc/77/64/30/721776430.db2.gz UJRIFAYFAAWRKA-SFHVURJKSA-N 2 0 351.579 3.120 20 0 FGADRP C[N@H+](Cc1ccc(C(F)(F)F)cc1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000677801608 721916596 /nfs/dbraw/zinc/91/65/96/721916596.db2.gz XKBSDTHIRSXOIO-GOSISDBHSA-N 2 0 355.448 3.306 20 0 FGADRP c1cc(N2CCCC[C@@H]2CC[NH+]2CCCC2)ncc1OCC1CC[NH2+]CC1 ZINC001165049193 721978625 /nfs/dbraw/zinc/97/86/25/721978625.db2.gz IDLKKKSUUAUOIO-HXUWFJFHSA-N 2 0 372.557 3.305 20 0 FGADRP C[C@H]([NH2+][C@@H](CCO)c1ccccc1Br)C1CC[NH+](C)CC1 ZINC000679773019 722047675 /nfs/dbraw/zinc/04/76/75/722047675.db2.gz QFBDQVJAHHKPPS-GUYCJALGSA-N 2 0 355.320 3.193 20 0 FGADRP CC(C)[C@@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)c1cc(F)ccc1F ZINC000684553555 722346349 /nfs/dbraw/zinc/34/63/49/722346349.db2.gz RTBIMLJEOYAJJM-OXJNMPFZSA-N 2 0 351.485 3.420 20 0 FGADRP C[C@H](Cc1ccccc1C(F)(F)F)[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000684612888 722349536 /nfs/dbraw/zinc/34/95/36/722349536.db2.gz ZIEFJBVFFYBAQH-OAHLLOKOSA-N 2 0 357.464 3.252 20 0 FGADRP C[N@@H+]1CCCC[C@H](C[NH2+][C@H]2CCCC[C@@H]2CNC(=O)OC(C)(C)C)C1 ZINC000700802401 722409883 /nfs/dbraw/zinc/40/98/83/722409883.db2.gz IQTKMHWHKGWSQB-KURKYZTESA-N 2 0 353.551 3.391 20 0 FGADRP C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CC[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000721140141 722419718 /nfs/dbraw/zinc/41/97/18/722419718.db2.gz OOURFCFUTSIVBM-BDXSIMOUSA-N 2 0 351.535 3.096 20 0 FGADRP CCCCCC[N@H+](C)CC(=O)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000731872397 722478790 /nfs/dbraw/zinc/47/87/90/722478790.db2.gz IAQUITUBMKGNGW-HXUWFJFHSA-N 2 0 351.579 3.469 20 0 FGADRP CC[N@@H+]1CC[C@@H]([NH+](C)CC2CCN(C(=O)OC(C)(C)C)CC2)C[C@@H]1C ZINC000740886326 722539050 /nfs/dbraw/zinc/53/90/50/722539050.db2.gz MDNPHMQJCYKEEU-FUHWJXTLSA-N 2 0 353.551 3.438 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)/C=C/Sc1ccccc1 ZINC000750735137 722779515 /nfs/dbraw/zinc/77/95/15/722779515.db2.gz TXRYYUPQIHLPDC-QIPRVMPFSA-N 2 0 361.555 3.167 20 0 FGADRP CCc1ccc(NC(=S)N(CC[NH+](C)C)C[C@H]2CCC[N@H+]2CC)cc1 ZINC000751009973 722790578 /nfs/dbraw/zinc/79/05/78/722790578.db2.gz FKIWVASREPZGRB-LJQANCHMSA-N 2 0 362.587 3.294 20 0 FGADRP CC[NH+](CC)CCCC1CCN(C(=S)NCC2CC[NH+](C)CC2)CC1 ZINC000760501966 723059998 /nfs/dbraw/zinc/05/99/98/723059998.db2.gz LTGLIJDHSPRLTL-UHFFFAOYSA-N 2 0 368.635 3.037 20 0 FGADRP C[C@@H]([NH2+]CCC1CC[NH+](C)CC1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000765779683 723540160 /nfs/dbraw/zinc/54/01/60/723540160.db2.gz ZDTULTTZPNJWGL-CYBMUJFWSA-N 2 0 360.470 3.065 20 0 FGADRP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCN(C(=O)OC(C)(C)C)CC2)[C@H]2CCC[C@@H]21 ZINC000796947182 723660442 /nfs/dbraw/zinc/66/04/42/723660442.db2.gz IXFSCVZLNQQOFE-BDXSIMOUSA-N 2 0 351.535 3.238 20 0 FGADRP CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]C2CCC([NH+]3CCCCC3)CC2)C1 ZINC000769400687 723684493 /nfs/dbraw/zinc/68/44/93/723684493.db2.gz GUGRUFCVDOIUJX-LXPRWKDFSA-N 2 0 351.535 3.383 20 0 FGADRP C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000774494682 723899990 /nfs/dbraw/zinc/89/99/90/723899990.db2.gz DYCDZLPPFFPWGU-MAUKXSAKSA-N 2 0 351.535 3.096 20 0 FGADRP Cc1cc(Br)cc(C[NH2+]C[C@H](C(C)C)N2CC[NH+](C)CC2)c1 ZINC000774964636 723946064 /nfs/dbraw/zinc/94/60/64/723946064.db2.gz NYDRJNSWTHLQDK-GOSISDBHSA-N 2 0 368.363 3.119 20 0 FGADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@]2(C)CCN(C(=O)OC(C)(C)C)C2)C[C@@H]1C ZINC000798943777 723977264 /nfs/dbraw/zinc/97/72/64/723977264.db2.gz BDNFKYBFGFZKCI-ZWOKBUDYSA-N 2 0 353.551 3.438 20 0 FGADRP COc1ccc([C@H](C)[NH2+]CC[C@H](C)[S@](C)=O)cc1C[NH+]1CCCCC1 ZINC000775416261 723989460 /nfs/dbraw/zinc/98/94/60/723989460.db2.gz XODVRXOLGIZVIG-TZPNTHKFSA-N 2 0 366.571 3.489 20 0 FGADRP C[NH+]1CCC2(CCC[N@H+](C[C@H](O)COCc3ccccc3Cl)C2)CC1 ZINC000799178102 723995434 /nfs/dbraw/zinc/99/54/34/723995434.db2.gz KPVMDDIXJYNQMK-SFHVURJKSA-N 2 0 366.933 3.025 20 0 FGADRP C[C@@H](C(=O)Nc1ccc(F)c(F)c1)[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000799177052 723995473 /nfs/dbraw/zinc/99/54/73/723995473.db2.gz JFOFBYZVXVMWSS-AWEZNQCLSA-N 2 0 351.441 3.100 20 0 FGADRP CCO[C@@H]1C[C@@H]([NH2+]C2CCN(C3CC[NH+](C)CC3)CC2)C1(CC)CC ZINC000776159271 724114679 /nfs/dbraw/zinc/11/46/79/724114679.db2.gz IUIQSJAAXACOLG-WOJBJXKFSA-N 2 0 351.579 3.118 20 0 FGADRP CC(C)CC[NH+]1CCC(C[NH2+]Cc2cc(Br)nn2C)CC1 ZINC000785483025 724915749 /nfs/dbraw/zinc/91/57/49/724915749.db2.gz QGXZOCCRSXMJNS-UHFFFAOYSA-N 2 0 357.340 3.030 20 0 FGADRP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]C(C)(C)C2CCOCC2)CC1 ZINC000785601106 724924352 /nfs/dbraw/zinc/92/43/52/724924352.db2.gz HWSCKGHBBDNAGQ-UHFFFAOYSA-N 2 0 365.949 3.387 20 0 FGADRP CC(C)(C)OC(=O)N[C@@H]1CCCCC[C@@H]1[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000788243137 725052134 /nfs/dbraw/zinc/05/21/34/725052134.db2.gz IYDVWTBEDWEQCU-BPQIPLTHSA-N 2 0 351.535 3.286 20 0 FGADRP C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000788732120 725084405 /nfs/dbraw/zinc/08/44/05/725084405.db2.gz CWSDRPSEFHIOCY-IAGOWNOFSA-N 2 0 353.551 3.344 20 0 FGADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000805794398 725096224 /nfs/dbraw/zinc/09/62/24/725096224.db2.gz UEWSDMPFEOMXLH-YLJYHZDGSA-N 2 0 351.535 3.194 20 0 FGADRP C[N@@H+]1CCC[C@@H]2C[NH+](CCN(C(=O)OC(C)(C)C)C(C)(C)C)CC[C@H]21 ZINC000809596210 725250851 /nfs/dbraw/zinc/25/08/51/725250851.db2.gz WSXIBBCLJFWUSF-IAGOWNOFSA-N 2 0 353.551 3.438 20 0 FGADRP CC(C)[NH+]1CCC([NH2+][C@H]2[C@H](C)CCN(C(=O)OC(C)(C)C)[C@@H]2C)CC1 ZINC000809717486 725262124 /nfs/dbraw/zinc/26/21/24/725262124.db2.gz IRAKOVPRTKOSCC-NUJGCVRESA-N 2 0 353.551 3.483 20 0 FGADRP CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)C1 ZINC000809950998 725277879 /nfs/dbraw/zinc/27/78/79/725277879.db2.gz UWIILXFKNBFMTJ-DNVCBOLYSA-N 2 0 367.534 3.214 20 0 FGADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)CC[C@H]2C)C1 ZINC000812717855 726806176 /nfs/dbraw/zinc/80/61/76/726806176.db2.gz LVIPJMJRTLYSHG-KZNAEPCWSA-N 2 0 353.551 3.344 20 0 FGADRP CC[N@H+](C)C[C@@H]1CC[NH+](C[C@H]2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)C1 ZINC000813336120 726862887 /nfs/dbraw/zinc/86/28/87/726862887.db2.gz LRYSVGABQOHOQW-BZSNNMDCSA-N 2 0 353.551 3.296 20 0 FGADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2CC1 ZINC000814678369 726992476 /nfs/dbraw/zinc/99/24/76/726992476.db2.gz RZYSODZKSLHCBE-KSZLIROESA-N 2 0 351.535 3.050 20 0 FGADRP C[C@H]([NH2+]Cc1ccc2c(c1)C[NH2+]C2)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000817969080 727289770 /nfs/dbraw/zinc/28/97/70/727289770.db2.gz QUBAXDGEOQMSLA-LBPRGKRZSA-N 2 0 366.433 3.137 20 0 FGADRP C[C@](O)(C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(Br)cc1F ZINC000818963630 727331326 /nfs/dbraw/zinc/33/13/26/727331326.db2.gz WCMZNTZOPAACSL-VBQJREDUSA-N 2 0 371.294 3.012 20 0 FGADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]C[C@@H](O)c2cccc(Br)c2)C1 ZINC000818984348 727334438 /nfs/dbraw/zinc/33/44/38/727334438.db2.gz FIAJAFZFPSWONH-WMLDXEAASA-N 2 0 355.320 3.193 20 0 FGADRP CC(C)C[N@@H+]1CC[C@H](C[NH2+]C[C@H](O)c2ccc(F)c(Br)c2)C1 ZINC000819152192 727352994 /nfs/dbraw/zinc/35/29/94/727352994.db2.gz NYCNFHSPPFLYRQ-DYVFJYSZSA-N 2 0 373.310 3.189 20 0 FGADRP CSc1ccc([C@H](CNC(=O)CCCC[NH+]2CCCC2)[NH+](C)C)cc1 ZINC000819341943 727369299 /nfs/dbraw/zinc/36/92/99/727369299.db2.gz NDUNEAMFSQEVON-IBGZPJMESA-N 2 0 363.571 3.394 20 0 FGADRP CCC[NH+]1CCC([N@H+](C)C[C@]23C[C@H]2CN(C(=O)OC(C)(C)C)C3)CC1 ZINC000823414249 729278335 /nfs/dbraw/zinc/27/83/35/729278335.db2.gz SWMCLKNAUAJULG-JXFKEZNVSA-N 2 0 351.535 3.050 20 0 FGADRP CSC1(C[NH2+]C[C@H](CNC(=O)OC(C)(C)C)C(C)C)CC[NH+](C)CC1 ZINC000824417359 729336799 /nfs/dbraw/zinc/33/67/99/729336799.db2.gz UXBTVGZHNYYKOW-MRXNPFEDSA-N 2 0 373.607 3.200 20 0 FGADRP Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)c1cccc(C[NH3+])c1 ZINC000828048959 729439219 /nfs/dbraw/zinc/43/92/19/729439219.db2.gz IVGFNDQMJGPBSR-UHFFFAOYSA-N 2 0 355.507 3.255 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)C[C@H]([NH3+])c1cc(C)nc(Cl)c1)CC(C)C ZINC000831137926 729620649 /nfs/dbraw/zinc/62/06/49/729620649.db2.gz FIFLAIBPGDSNGA-SJORKVTESA-N 2 0 368.953 3.306 20 0 FGADRP CSC1(C[NH2+][C@H](C)c2nc(Br)cs2)CC[NH+](C)CC1 ZINC000834806987 729835710 /nfs/dbraw/zinc/83/57/10/729835710.db2.gz MCXNUZBNSBCJNI-SNVBAGLBSA-N 2 0 364.378 3.384 20 0 FGADRP CSC1(C[NH2+][C@H](C)[C@@H]2CCCN2C(=O)OC(C)(C)C)CC[NH+](C)CC1 ZINC000834806267 729835746 /nfs/dbraw/zinc/83/57/46/729835746.db2.gz AGQUIILQOKDDLQ-CVEARBPZSA-N 2 0 371.591 3.191 20 0 FGADRP Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C[NH2+]C1CCC([NH3+])CC1 ZINC000843105565 730585537 /nfs/dbraw/zinc/58/55/37/730585537.db2.gz WLZRUNJGPVHBHQ-UHFFFAOYSA-N 2 0 350.869 3.392 20 0 FGADRP Ic1ccccc1C[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000843126433 730588829 /nfs/dbraw/zinc/58/88/29/730588829.db2.gz REXLDUKNALCKDN-UONOGXRCSA-N 2 0 370.278 3.113 20 0 FGADRP CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]([NH2+]CC2CC[NH+](C3CC3)CC2)C1 ZINC000848548802 731179856 /nfs/dbraw/zinc/17/98/56/731179856.db2.gz FWYNAGVCCJJTEW-SJORKVTESA-N 2 0 351.535 3.286 20 0 FGADRP C[C@@H](CNC(=[NH2+])NCc1ccc(OC(F)(F)F)cc1)[NH+]1CCCCC1 ZINC000849090877 731228055 /nfs/dbraw/zinc/22/80/55/731228055.db2.gz OZARWNSCLHUBEQ-ZDUSSCGKSA-N 2 0 358.408 3.074 20 0 FGADRP C[C@H](CNC(=[NH2+])NCc1ccc(OC(F)(F)F)cc1)[NH+]1CCCCC1 ZINC000849090876 731228112 /nfs/dbraw/zinc/22/81/12/731228112.db2.gz OZARWNSCLHUBEQ-CYBMUJFWSA-N 2 0 358.408 3.074 20 0 FGADRP c1cc(C[NH+]2CCC(C[NH2+][C@@H]3CC[C@H]4SCCS[C@@H]34)CC2)ccn1 ZINC000850516655 731367282 /nfs/dbraw/zinc/36/72/82/731367282.db2.gz IHXJMHZRGGTOBB-QRVBRYPASA-N 2 0 363.596 3.263 20 0 FGADRP O=C(NC1CC[NH+](CC2CCCCC2)CC1)c1cc2c(s1)CC[NH2+]C2 ZINC000852797962 731636450 /nfs/dbraw/zinc/63/64/50/731636450.db2.gz DINLVUKYLFDWDG-UHFFFAOYSA-N 2 0 361.555 3.168 20 0 FGADRP C[N@@H+]1CC[C@@H]([NH2+]CCC2CCN(C(=O)OC(C)(C)C)CC2)CC1(C)C ZINC000858184348 732190303 /nfs/dbraw/zinc/19/03/03/732190303.db2.gz QRPPXBURONGSRI-QGZVFWFLSA-N 2 0 353.551 3.486 20 0 FGADRP Cc1ccccc1SC[C@H](C)C[NH+]1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000859193233 732288159 /nfs/dbraw/zinc/28/81/59/732288159.db2.gz RZARSUCNDPAYPE-QUCCMNQESA-N 2 0 361.599 3.435 20 0 FGADRP Cc1nc(NC(=O)[C@H](C)N(C)Cc2ccc(C[NH+](C)C)cc2)sc1C ZINC000859212273 732290376 /nfs/dbraw/zinc/29/03/76/732290376.db2.gz MCSLLFHYFAMNEG-AWEZNQCLSA-N 2 0 360.527 3.281 20 0 FGADRP COC[C@@]1(C)CC[NH+](CC[Si](C)(C)CC[N@H+]2CC[C@](C)(COC)C2)C1 ZINC000859321289 732309780 /nfs/dbraw/zinc/30/97/80/732309780.db2.gz BDCGCYZDFKIDLX-PMACEKPBSA-N 2 0 370.654 3.412 20 0 FGADRP C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)[C@@H]1[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000862366684 732817121 /nfs/dbraw/zinc/81/71/21/732817121.db2.gz VQZZVRXUZYQYKR-QBPKDAKJSA-N 2 0 353.551 3.483 20 0 FGADRP CC[NH2+][C@@H](C)c1nc(-c2ccc(N3CCC[N@H+](C)CC3)c(Cl)c2)no1 ZINC000863666024 732991818 /nfs/dbraw/zinc/99/18/18/732991818.db2.gz RIXSRZWBHBNGTG-ZDUSSCGKSA-N 2 0 363.893 3.202 20 0 FGADRP CC(C)(C)OC(=O)N[C@H](C[NH2+]C1CC[NH+](C2CCC2)CC1)CC(F)F ZINC000865434949 733199946 /nfs/dbraw/zinc/19/99/46/733199946.db2.gz WLQDPGFWZWOHAM-AWEZNQCLSA-N 2 0 361.477 3.141 20 0 FGADRP C[NH+](C)C[C@@H]1CN(c2nc3cc(Cl)cc(Cl)c3o2)C[C@H]1C[NH+](C)C ZINC000866012088 733301092 /nfs/dbraw/zinc/30/10/92/733301092.db2.gz PYGLEAMGNSJUFO-VXGBXAGGSA-N 2 0 371.312 3.310 20 0 FGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCC2CC[NH+](C(C)C)CC2)[C@@H](C)C1 ZINC000866467808 733353918 /nfs/dbraw/zinc/35/39/18/733353918.db2.gz QVJBHBBNAOUYNV-PZJWPPBQSA-N 3 0 353.595 3.224 20 0 FGADRP CC(C)[NH+]1CCC(CC[NH2+][C@@H](C)C2CN(C(=O)OC(C)(C)C)C2)CC1 ZINC000866468525 733354132 /nfs/dbraw/zinc/35/41/32/733354132.db2.gz FYRIUAPIEIMBRO-INIZCTEOSA-N 2 0 353.551 3.342 20 0 FGADRP COc1cc([C@H](C)[NH2+]C2CCC(C)([NH+](C)C)CC2)ccc1S(C)(=O)=O ZINC000866517463 733360089 /nfs/dbraw/zinc/36/00/89/733360089.db2.gz ZWQBPOYLHMZHRH-ASFAAARLSA-N 2 0 368.543 3.012 20 0 FGADRP CC(C)(C)S(=O)(=O)CCC[N@@H+]1CCC[C@@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000872156058 735596763 /nfs/dbraw/zinc/59/67/63/735596763.db2.gz DGIIWAFZVYYKQP-WMZOPIPTSA-N 2 0 358.592 3.209 20 0 FGADRP O=C(Nc1ccccc1)C1CC[NH+](Cc2cc3c(s2)CC[NH2+]C3)CC1 ZINC000873200959 735736582 /nfs/dbraw/zinc/73/65/82/735736582.db2.gz PMSPTOQAFDJMAX-UHFFFAOYSA-N 2 0 355.507 3.245 20 0 FGADRP C[C@@H]([NH2+][C@@H](C)CC(=O)Nc1ccc(Br)cc1)C1CC[NH2+]CC1 ZINC000873221502 735739726 /nfs/dbraw/zinc/73/97/26/735739726.db2.gz UTPIPTJQYSRKRZ-QWHCGFSZSA-N 2 0 368.319 3.144 20 0 FGADRP [NH3+]Cc1cn(-c2cccc(C[NH2+][C@@H]3CCc4ccc(Cl)cc43)c2)nn1 ZINC000873243020 735743497 /nfs/dbraw/zinc/74/34/97/735743497.db2.gz IGPUQLZSDNWGND-LJQANCHMSA-N 2 0 353.857 3.157 20 0 FGADRP C[C@@H]([NH2+][C@@H](C)C1CC[NH2+]CC1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000873271068 735744962 /nfs/dbraw/zinc/74/49/62/735744962.db2.gz DOMTVEKVYLSDHZ-CVEARBPZSA-N 2 0 364.555 3.442 20 0 FGADRP Brc1cccc2c1CC[C@H]2[NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873292212 735747060 /nfs/dbraw/zinc/74/70/60/735747060.db2.gz PNAISQMLTCIGGY-CXAGYDPISA-N 2 0 365.315 3.185 20 0 FGADRP CC[C@@H]([NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2)c1ccccc1OC(F)F ZINC000873291540 735747221 /nfs/dbraw/zinc/74/72/21/735747221.db2.gz XAFDBSIHYWLTAG-GDBMZVCRSA-N 2 0 354.441 3.487 20 0 FGADRP O[C@H]1CCC[C@H]1[NH+]1CCC([NH2+]Cc2cc3nc(Cl)ccc3s2)CC1 ZINC000877090885 736186910 /nfs/dbraw/zinc/18/69/10/736186910.db2.gz XRBNVLPFTYWOSU-CVEARBPZSA-N 2 0 365.930 3.417 20 0 FGADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](C[C@H]2CC(C)(C)OC2(C)C)CC1 ZINC000878020771 736759083 /nfs/dbraw/zinc/75/90/83/736759083.db2.gz QDLHPPVVALVMIB-CEXWTWQISA-N 2 0 351.579 3.071 20 0 FGADRP C[NH+]1CCN(C2CC[NH+](CCn3ccc4cc(Cl)ccc43)CC2)CC1 ZINC000879596271 737012805 /nfs/dbraw/zinc/01/28/05/737012805.db2.gz KXKRGWHXZOXAKD-UHFFFAOYSA-N 2 0 360.933 3.007 20 0 FGADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@H+](CCc3ccccc3Br)C2)C1 ZINC000883434750 737566521 /nfs/dbraw/zinc/56/65/21/737566521.db2.gz ZVGGMIIYLCPKDH-JZXOWHBKSA-N 2 0 367.331 3.210 20 0 FGADRP CN(CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2)CC(F)(F)F ZINC000886525876 739264877 /nfs/dbraw/zinc/26/48/77/739264877.db2.gz ADRBOQWBAYLYTP-KSZLIROESA-N 2 0 355.448 3.123 20 0 FGADRP CCOC(=O)NC1CCC([NH2+]C2CCC(C)([NH+]3CCCC3)CC2)CC1 ZINC000886599199 739273380 /nfs/dbraw/zinc/27/33/80/739273380.db2.gz UCFWIEQLQHDRAQ-UHFFFAOYSA-N 2 0 351.535 3.430 20 0 FGADRP C[C@@H]1C[C@]2(CC[C@H](C[NH2+]C3CC[NH+]([C@@H]4CCCC[C@@H]4C)CC3)O2)CO1 ZINC000886762166 739293752 /nfs/dbraw/zinc/29/37/52/739293752.db2.gz SHNADOJJMIFGDR-MIGBRYPXSA-N 2 0 350.547 3.346 20 0 FGADRP F[C@@H]1CC2(CC[C@@H]1[NH+]1CCC(C[NH+]3CCCCCC3)CC1)OCCO2 ZINC000891611730 739920593 /nfs/dbraw/zinc/92/05/93/739920593.db2.gz VDRFWAVRAUVFCU-MOPGFXCFSA-N 2 0 354.510 3.208 20 0 FGADRP C[NH+](C)C1(C)CCC(NC(=O)N(CC[NH3+])Cc2cccc(Cl)c2)CC1 ZINC000892531619 740013220 /nfs/dbraw/zinc/01/32/20/740013220.db2.gz AMEFPJKEKCCEKW-UHFFFAOYSA-N 2 0 366.937 3.073 20 0 FGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]C2CC(c3ccc(F)cc3F)C2)CC1 ZINC000892928835 740059742 /nfs/dbraw/zinc/05/97/42/740059742.db2.gz PDXTXGFOPGPVAQ-HJOIGYKYSA-N 2 0 351.485 3.074 20 0 FGADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+]CC2CC[NH+](CC)CC2)C[C@@H]1C(F)(F)F ZINC000892939678 740060589 /nfs/dbraw/zinc/06/05/89/740060589.db2.gz UPWHJCBNSVNGNU-XHSDSOJGSA-N 2 0 364.452 3.218 20 0 FGADRP O[C@H]1CCC[C@@H]1[NH+]1CCC([NH2+]Cc2cc3ccnc(Cl)c3s2)CC1 ZINC000894331080 742268724 /nfs/dbraw/zinc/26/87/24/742268724.db2.gz AKRVENPARJGADE-HOTGVXAUSA-N 2 0 365.930 3.417 20 0 FGADRP C[N@H+](C[C@H](CC(F)F)NC(=O)OC(C)(C)C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000894748501 742327234 /nfs/dbraw/zinc/32/72/34/742327234.db2.gz MVEHUYCBEPFNDJ-RDGKXADDSA-N 2 0 361.477 3.092 20 0 FGADRP CC(=O)Nc1cc(Br)ccc1C[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000894861631 742344359 /nfs/dbraw/zinc/34/43/59/742344359.db2.gz XAGPXFOHNLGPPJ-CQSZACIVSA-N 2 0 368.319 3.229 20 0 FGADRP CC(C)CC[NH+]1CCC([NH2+][C@H]2C[C@H](CNC(=O)OC(C)(C)C)C2)CC1 ZINC000898101127 742745404 /nfs/dbraw/zinc/74/54/04/742745404.db2.gz JGOLATWVSRIBRP-SAABIXHNSA-N 2 0 353.551 3.390 20 0 FGADRP C[C@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[NH2+][C@H]1C[C@H](C[NH3+])C1 ZINC000902491688 743749241 /nfs/dbraw/zinc/74/92/41/743749241.db2.gz YKGZMMVNDOFWSZ-CKYFFXLPSA-N 2 0 363.811 3.403 20 0 FGADRP C([C@H]1CCOC1)[NH+]1CCC([NH2+][C@H]2CCC[C@H](C3CCOCC3)C2)CC1 ZINC000902810002 743777185 /nfs/dbraw/zinc/77/71/85/743777185.db2.gz YWYSIPAGLIJLEO-LMNJBCLMSA-N 2 0 350.547 3.062 20 0 FGADRP c1cc(-c2nc(CN3C[C@H]4CC[C@@H](C3)[N@H+]4C3CC[NH2+]CC3)cs2)cs1 ZINC000903510123 743857175 /nfs/dbraw/zinc/85/71/75/743857175.db2.gz PFHIFPRMDHDRND-HDICACEKSA-N 2 0 374.579 3.272 20 0 FGADRP Clc1cccc([C@H]([NH2+]C[C@H]2C[C@]3(CC[NH2+]C3)CO2)c2ccccn2)c1 ZINC000903761082 743881648 /nfs/dbraw/zinc/88/16/48/743881648.db2.gz ZOUCDTZCCHLCFA-HOJAQTOUSA-N 2 0 357.885 3.183 20 0 FGADRP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccnc(-c3ccc(Br)cc3)n1)C2 ZINC000903842174 743887618 /nfs/dbraw/zinc/88/76/18/743887618.db2.gz KVOVKXUYDLNGKD-NUTKFTJISA-N 2 0 373.298 3.218 20 0 FGADRP Clc1ccc(C2([NH2+]Cc3cnnn3[C@H]3CCC[NH2+]C3)CCCC2)cc1 ZINC000903898696 743893643 /nfs/dbraw/zinc/89/36/43/743893643.db2.gz NKMAVIAOCOVYPY-KRWDZBQOSA-N 2 0 359.905 3.415 20 0 FGADRP [NH3+]C[C@@H]1CC2(CO1)CC[NH+](Cc1c[nH]nc1-c1cccc(Cl)c1)CC2 ZINC000904392082 743951606 /nfs/dbraw/zinc/95/16/06/743951606.db2.gz MRHXYNJPXBYKGD-KRWDZBQOSA-N 2 0 360.889 3.060 20 0 FGADRP C[N@@H+]1CCC[C@@H](CNC(=O)Nc2ccccc2C[NH3+])[C@@H]1c1cccs1 ZINC000904655136 743966287 /nfs/dbraw/zinc/96/62/87/743966287.db2.gz QEXSQKGUOHHMRV-MAUKXSAKSA-N 2 0 358.511 3.411 20 0 FGADRP O[C@H](C[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1)CC(F)(F)F ZINC000905709561 744045670 /nfs/dbraw/zinc/04/56/70/744045670.db2.gz NRUPJOQBXSDELW-XDNAFOTISA-N 2 0 356.432 3.190 20 0 FGADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)NCC1CCCCCCC1 ZINC000918115067 758304695 /nfs/dbraw/zinc/30/46/95/758304695.db2.gz WGPLBIZCHDLSER-UHFFFAOYSA-N 2 0 354.583 3.262 20 0 FGADRP CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1csc(Br)c1)C2 ZINC000922386059 758909440 /nfs/dbraw/zinc/90/94/40/758909440.db2.gz DZKZXSQLQFMUKN-VDERGJSUSA-N 2 0 373.360 3.080 20 0 FGADRP CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1sccc1Br)C2 ZINC000922386201 758909492 /nfs/dbraw/zinc/90/94/92/758909492.db2.gz DHAHSJZKSZQMLX-LUYZLQTOSA-N 2 0 373.360 3.080 20 0 FGADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@H+](C[C@H](O)c3ccc(Cl)cc3Cl)C2)C1 ZINC000923389126 759108853 /nfs/dbraw/zinc/10/88/53/759108853.db2.gz TULQCVQQAPDDND-YENGBRFLSA-N 2 0 373.324 3.245 20 0 FGADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2C[C@H](O)c2ccc(Cl)cc2Cl)C1 ZINC000923391398 759109858 /nfs/dbraw/zinc/10/98/58/759109858.db2.gz FEMXULDOYJNZIR-QCSYZSNVSA-N 2 0 373.324 3.388 20 0 FGADRP C[C@H](c1cccc(Br)c1)[NH+]1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000923452391 759120512 /nfs/dbraw/zinc/12/05/12/759120512.db2.gz QLGXTXYTFMDBRL-CZUORRHYSA-N 2 0 353.304 3.340 20 0 FGADRP CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H]([NH2+]C2CC[NH+](C3CCC3)CC2)C1 ZINC000924841748 759402067 /nfs/dbraw/zinc/40/20/67/759402067.db2.gz DEBCOYOGBVLKGT-NVXWUHKLSA-N 2 0 351.535 3.286 20 0 FGADRP C[C@@H]([NH2+]Cc1cccc(CS(C)(=O)=O)c1)c1cccc(C[NH+](C)C)c1 ZINC000924886634 759411021 /nfs/dbraw/zinc/41/10/21/759411021.db2.gz XCRZSWLLDWOSLS-MRXNPFEDSA-N 2 0 360.523 3.144 20 0 FGADRP COc1ccc(Cl)cc1NC(=O)CC[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925531426 759501332 /nfs/dbraw/zinc/50/13/32/759501332.db2.gz ZEICNWRCYWBKGC-UONOGXRCSA-N 2 0 353.894 3.173 20 0 FGADRP COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]C[C@]12CCC[C@H]1[NH2+]CC2 ZINC000925839770 759554866 /nfs/dbraw/zinc/55/48/66/759554866.db2.gz DQBDKWORZKZMRP-BOFPYLFWSA-N 2 0 365.905 3.188 20 0 FGADRP CCS(=O)(=O)c1ccccc1CC[NH2+][C@@H](CCC[NH3+])c1ccccc1 ZINC000925835986 759555359 /nfs/dbraw/zinc/55/53/59/759555359.db2.gz YMZFDFFLFGHRQY-IBGZPJMESA-N 2 0 360.523 3.093 20 0 FGADRP O=C1O[C@@H](C[NH2+][C@@H]2CCc3cc(Cl)cc(Cl)c32)CC12CC[NH2+]CC2 ZINC000925849940 759557213 /nfs/dbraw/zinc/55/72/13/759557213.db2.gz GCCCBFQKHWUJNZ-UKRRQHHQSA-N 2 0 369.292 3.256 20 0 FGADRP O=C1O[C@@H](C[NH2+][C@@H]2CCc3c2ccc(Cl)c3Cl)CC12CC[NH2+]CC2 ZINC000925856994 759560152 /nfs/dbraw/zinc/56/01/52/759560152.db2.gz YQXBLCUYXLWZHA-IAQYHMDHSA-N 2 0 369.292 3.256 20 0 FGADRP Cc1ccc(NC(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)cc1Cl ZINC000925892303 759569243 /nfs/dbraw/zinc/56/92/43/759569243.db2.gz PPHTZSUWUSUZAJ-CALCHBBNSA-N 2 0 362.905 3.081 20 0 FGADRP C[C@H]1C[C@@H]([NH2+]C[C@]23CCC[C@H]2N(C(=O)OC(C)(C)C)CC3)CC[N@@H+]1C ZINC000927005809 759874936 /nfs/dbraw/zinc/87/49/36/759874936.db2.gz PJACHRNKWIHOLX-MIALQEHNSA-N 2 0 351.535 3.238 20 0 FGADRP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+][C@@H]2C[C@H](O)C23CCOCC3)CC1 ZINC000927157827 759909440 /nfs/dbraw/zinc/90/94/40/759909440.db2.gz XVEVXEBVZMDAAM-MSOLQXFVSA-N 2 0 352.563 3.185 20 0 FGADRP C[C@@H]([NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1)c1ccccc1Cl ZINC000983705691 763659279 /nfs/dbraw/zinc/65/92/79/763659279.db2.gz ZIVJYRWWSQKXAV-XSDHEKCYSA-N 2 0 363.933 3.226 20 0 FGADRP C[C@@H]1[C@H](C(=O)N2CC[C@H]([NH2+]Cc3ccc(Cl)c(Cl)c3)C2)CC[N@@H+]1C ZINC001018867245 765846793 /nfs/dbraw/zinc/84/67/93/765846793.db2.gz KGJQHORYRSEDSR-VHDGCEQUSA-N 2 0 370.324 3.024 20 0 FGADRP C[C@@H]1[C@H](C(=O)NC[C@H]2CCC[NH+](Cc3ccccc3Cl)C2)CC[N@@H+]1C ZINC001023377297 766035478 /nfs/dbraw/zinc/03/54/78/766035478.db2.gz JIQVTAKPYOXCLW-JFIYKMOQSA-N 2 0 363.933 3.008 20 0 FGADRP CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@H]1CC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC001033833792 766223584 /nfs/dbraw/zinc/22/35/84/766223584.db2.gz LOKDKGOHTIPVOR-AYOQOUSVSA-N 2 0 363.933 3.103 20 0 FGADRP COc1ccc2c(c1)[C@H]([NH2+]C1CC[NH+]([C@H]3CCCC[C@@H]3O)CC1)CCC2 ZINC000536849904 503739953 /nfs/dbraw/zinc/73/99/53/503739953.db2.gz FKFFMKDCSFWSPH-FSSWDIPSSA-N 2 0 358.526 3.430 20 0 FGADRP C[C@@H](c1ccc(Br)cc1)N1CC[NH+](CC[C@@H]2CC[NH2+]C2)CC1 ZINC000579597908 505583773 /nfs/dbraw/zinc/58/37/73/505583773.db2.gz JONRCLCIQZCBFG-HOTGVXAUSA-N 2 0 366.347 3.127 20 0 FGADRP C[C@H]1C[C@H](NC(=O)Nc2ccc3c(c2)C[NH2+]C3)C[N@@H+]1Cc1ccccc1 ZINC000570910002 505609626 /nfs/dbraw/zinc/60/96/26/505609626.db2.gz VYSTUIKJRDTDFI-YWZLYKJASA-N 2 0 350.466 3.074 20 0 FGADRP COc1cc2ccccc2cc1C[N@@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000576908103 505620858 /nfs/dbraw/zinc/62/08/58/505620858.db2.gz FELVHPLQHRLQIR-JOCHJYFZSA-N 2 0 367.537 3.449 20 0 FGADRP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](CCCOc2ccc(Cl)cc2)CC1 ZINC000573788273 505621230 /nfs/dbraw/zinc/62/12/30/505621230.db2.gz ZXERRPXJJVCDRU-RTBURBONSA-N 2 0 352.906 3.327 20 0 FGADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)[C@@H]1C[NH2+]Cc2ccccc21)c1ccccc1 ZINC000579828739 505628182 /nfs/dbraw/zinc/62/81/82/505628182.db2.gz NLDGVMDBWFVLJK-OXQOHEQNSA-N 2 0 351.494 3.119 20 0 FGADRP CC(C)[NH+]1CCN(c2cccc(NC(=O)CC3(C[NH3+])CCCCC3)c2)CC1 ZINC000579834349 505629695 /nfs/dbraw/zinc/62/96/95/505629695.db2.gz XCAORMLACJIXQT-UHFFFAOYSA-N 2 0 372.557 3.455 20 0 FGADRP [NH3+][C@@H]1CCC[C@H](C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)C1 ZINC000573843483 505633634 /nfs/dbraw/zinc/63/36/34/505633634.db2.gz PRDFZQCDVUPYQQ-BURNTYAHSA-N 2 0 355.526 3.017 20 0 FGADRP C(C1CCOCC1)[NH+]1CCCC2(CCC[N@@H+](CC3CCOCC3)C2)C1 ZINC000579889112 505639046 /nfs/dbraw/zinc/63/90/46/505639046.db2.gz FVUWIWCDYLOLAX-UHFFFAOYSA-N 2 0 350.547 3.018 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)c1ccc2c[nH+]cn2c1)Cc1ccccc1 ZINC000568227561 505648628 /nfs/dbraw/zinc/64/86/28/505648628.db2.gz MAPYXIBOBIOJBP-HXUWFJFHSA-N 2 0 350.466 3.017 20 0 FGADRP CSc1ccc([C@@H](CNC(=O)Nc2ccc3c(c2)C[NH2+]C3)[NH+](C)C)cc1 ZINC000579930013 505648754 /nfs/dbraw/zinc/64/87/54/505648754.db2.gz LATKOSOYUXIKES-LJQANCHMSA-N 2 0 370.522 3.436 20 0 FGADRP C[NH2+]Cc1ccc(NC(=O)N2CC[C@H]([N@H+](C)CCc3ccccc3)C2)cc1 ZINC000568281923 505658511 /nfs/dbraw/zinc/65/85/11/505658511.db2.gz HHUMHWNLTQXRJH-NRFANRHFSA-N 2 0 366.509 3.187 20 0 FGADRP C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)N2CCC[C@H](C[NH3+])C2)c1 ZINC000574038809 505679190 /nfs/dbraw/zinc/67/91/90/505679190.db2.gz OWIRQJOCCPKUCV-HXUWFJFHSA-N 2 0 351.494 3.130 20 0 FGADRP CN(C(=O)C[NH+]1CCC(C[NH+]2CCCC2)CC1)[C@@H]1CCCc2ccccc21 ZINC000047972708 493768462 /nfs/dbraw/zinc/76/84/62/493768462.db2.gz LSDTWZBXKLZGAZ-JOCHJYFZSA-N 2 0 369.553 3.330 20 0 FGADRP CC[NH+](CC)Cc1cccc(CNC(=O)N2CCC[N@@H+](C(C)C)CC2)c1 ZINC000076056899 493814364 /nfs/dbraw/zinc/81/43/64/493814364.db2.gz TYZAYBHTDOCSMO-UHFFFAOYSA-N 2 0 360.546 3.154 20 0 FGADRP C[NH+](C)CCN(C(=O)c1cccc(C[NH+]2CCCC2)c1)c1ccccc1 ZINC000058297011 493843006 /nfs/dbraw/zinc/84/30/06/493843006.db2.gz ZZZDXQXHRNHKKF-UHFFFAOYSA-N 2 0 351.494 3.491 20 0 FGADRP CC[NH+](CC)CCOc1ccc(C(=O)NCC[N@@H+]2CCCC[C@H]2C)cc1 ZINC000058887129 493891765 /nfs/dbraw/zinc/89/17/65/493891765.db2.gz DJXNHHSBPWWDIY-GOSISDBHSA-N 2 0 361.530 3.011 20 0 FGADRP C[C@@H]1CN(C(=O)NCc2ccccc2C[NH+]2CCCCCC2)C[C@@]1(C)C[NH3+] ZINC000577208103 505687934 /nfs/dbraw/zinc/68/79/34/505687934.db2.gz IJZDXXHTZYCOLG-XMSQKQJNSA-N 2 0 372.557 3.189 20 0 FGADRP C[NH+](C)Cc1ccc(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)cc1 ZINC000069179315 493933479 /nfs/dbraw/zinc/93/34/79/493933479.db2.gz IOJSQTSPHUEKCC-IBGZPJMESA-N 2 0 355.482 3.298 20 0 FGADRP CCCC[N@H+](C)CC1CC[NH+](CC(=O)N[C@@H]2CCOc3ccccc32)CC1 ZINC000052442090 494026358 /nfs/dbraw/zinc/02/63/58/494026358.db2.gz BXTYOXUPCPHAEU-HXUWFJFHSA-N 2 0 373.541 3.070 20 0 FGADRP COc1ccc(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)cc1Br ZINC000063197358 494032275 /nfs/dbraw/zinc/03/22/75/494032275.db2.gz PMZGPLLKRSUUGH-MRXNPFEDSA-N 2 0 353.304 3.422 20 0 FGADRP O[C@H](CCc1ccccc1)C[N@@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000568450161 505696627 /nfs/dbraw/zinc/69/66/27/505696627.db2.gz LQAHWBNRYSBRNR-TZRRMPRUSA-N 2 0 364.533 3.434 20 0 FGADRP C[NH+](C)CCN(Cc1cccs1)C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000084381571 494067971 /nfs/dbraw/zinc/06/79/71/494067971.db2.gz BDMWNPCCOPTALX-KRWDZBQOSA-N 2 0 363.571 3.293 20 0 FGADRP C[NH+](C)CCN(Cc1cccs1)C(=O)NCC1([NH+](C)C)CCCCC1 ZINC000084412375 494071387 /nfs/dbraw/zinc/07/13/87/494071387.db2.gz JUTVMRITENVKDV-UHFFFAOYSA-N 2 0 366.575 3.086 20 0 FGADRP O=C(Nc1ccn(-c2cc[nH+]cc2)n1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000071039846 494081864 /nfs/dbraw/zinc/08/18/64/494081864.db2.gz JRBITQPWIBBTMH-SFHVURJKSA-N 2 0 361.449 3.118 20 0 FGADRP C[NH+](C)CCOc1ccc(NC(=O)c2cccc(C[NH+]3CCCC3)c2)cc1 ZINC000064026531 494102119 /nfs/dbraw/zinc/10/21/19/494102119.db2.gz FXZKDBCSTQDIIH-UHFFFAOYSA-N 2 0 367.493 3.475 20 0 FGADRP CC(C)c1ccc([C@H]([NH3+])CNC(=O)N2CCc3ccccc3[C@H]2C[NH3+])cc1 ZINC000580190936 505699838 /nfs/dbraw/zinc/69/98/38/505699838.db2.gz BILGDBLFFCYJNU-NHCUHLMSSA-N 2 0 366.509 3.078 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N1CC[NH+](C2CCCC2)CC1)CC(C)C ZINC000071925740 494108446 /nfs/dbraw/zinc/10/84/46/494108446.db2.gz AXMCKBQRVLKHQG-IBGZPJMESA-N 2 0 352.567 3.013 20 0 FGADRP Brc1ccc(-c2c[nH]c(C[NH2+]CC[C@@H]3CCC[NH2+]C3)n2)cc1 ZINC000574139063 505702887 /nfs/dbraw/zinc/70/28/87/505702887.db2.gz XNUOMJRLUNSTOH-ZDUSSCGKSA-N 2 0 363.303 3.319 20 0 FGADRP CC[NH+]1CCC(C[NH2+]Cc2cc(OC)c(OCC(F)F)c(OC)c2)CC1 ZINC000577320893 505704690 /nfs/dbraw/zinc/70/46/90/505704690.db2.gz QSQOOHWNADZBNE-UHFFFAOYSA-N 2 0 372.456 3.169 20 0 FGADRP Cc1c[nH+]ccc1N1CCC(C(=O)NCCCC[N@H+]2CCC[C@H](C)C2)CC1 ZINC000072960748 494291909 /nfs/dbraw/zinc/29/19/09/494291909.db2.gz OXJDRLUSKQPQJK-SFHVURJKSA-N 2 0 372.557 3.235 20 0 FGADRP Cc1c[nH+]ccc1N1CCC(C(=O)NCCCC[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000072960753 494292229 /nfs/dbraw/zinc/29/22/29/494292229.db2.gz OXJDRLUSKQPQJK-GOSISDBHSA-N 2 0 372.557 3.235 20 0 FGADRP CNC(=O)c1cccc(C[NH+]2CCC(C[N@H+](C)Cc3ccccc3)CC2)c1 ZINC000072962130 494292407 /nfs/dbraw/zinc/29/24/07/494292407.db2.gz OXTPMGSBTVBBLZ-UHFFFAOYSA-N 2 0 365.521 3.390 20 0 FGADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)NCc2ccccc2C[NH+](C)C(C)C)C1 ZINC000073621143 494401133 /nfs/dbraw/zinc/40/11/33/494401133.db2.gz ATDVXVXDFSNJHE-LJQANCHMSA-N 2 0 374.573 3.400 20 0 FGADRP CC[NH+](CC)[C@H](C)CNC(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000073653720 494407527 /nfs/dbraw/zinc/40/75/27/494407527.db2.gz CAWAJPFEYCRROI-NUJGCVRESA-N 2 0 366.575 3.161 20 0 FGADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000079170726 494413757 /nfs/dbraw/zinc/41/37/57/494413757.db2.gz CDYHZAFDNZFKOS-OAQYLSRUSA-N 2 0 372.557 3.297 20 0 FGADRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N(C)CC[C@@H]2CCCC[NH+]2C)C1 ZINC000073822212 494435080 /nfs/dbraw/zinc/43/50/80/494435080.db2.gz AZOCWJCGELSYHQ-MSOLQXFVSA-N 2 0 352.567 3.013 20 0 FGADRP C[NH+](C)Cc1cccc(C(=O)N(CC[NH+]2CCCC2)c2ccccc2)c1 ZINC000073906728 494446488 /nfs/dbraw/zinc/44/64/88/494446488.db2.gz YOWXHGJCKMNUSD-UHFFFAOYSA-N 2 0 351.494 3.491 20 0 FGADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)NCc2cccc(C[NH+](C)CC)c2)C1 ZINC000073917963 494448763 /nfs/dbraw/zinc/44/87/63/494448763.db2.gz REOFJWCWFBHJPQ-FQEVSTJZSA-N 2 0 360.546 3.012 20 0 FGADRP Cc1ccc([C@H](CNC(=O)NC[C@H](c2cccs2)[NH+](C)C)[NH+](C)C)cc1 ZINC000067003196 494453064 /nfs/dbraw/zinc/45/30/64/494453064.db2.gz UCZPVMPGNNNZJH-ZWKOTPCHSA-N 2 0 374.554 3.261 20 0 FGADRP C[C@H]([NH2+][C@H]1CCO[C@]2(CCSC2)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000090541614 494480550 /nfs/dbraw/zinc/48/05/50/494480550.db2.gz JSPASEWFMFRLMN-XKGZKEIXSA-N 2 0 364.555 3.332 20 0 FGADRP C[C@@H]([NH2+]Cc1cn(C)nc1C(F)(F)F)c1cccc(OCC[NH+](C)C)c1 ZINC000090666428 494491799 /nfs/dbraw/zinc/49/17/99/494491799.db2.gz VXOQUICVNQJPDE-CYBMUJFWSA-N 2 0 370.419 3.230 20 0 FGADRP C[NH+](C)CCC1CCN(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000056358234 494493255 /nfs/dbraw/zinc/49/32/55/494493255.db2.gz UOFHKBRFCNRSSL-UHFFFAOYSA-N 2 0 372.557 3.024 20 0 FGADRP C[C@H](Cn1cc(Br)cn1)[NH2+]Cc1ccc(C[NH+](C)C)c(F)c1 ZINC000090919817 494504160 /nfs/dbraw/zinc/50/41/60/494504160.db2.gz NYTRVUFVPPYHPB-GFCCVEGCSA-N 2 0 369.282 3.025 20 0 FGADRP COc1cc(C)c([C@H](C)[NH2+]Cc2ccnc(OCC[NH+](C)C)c2)cc1OC ZINC000090937443 494504711 /nfs/dbraw/zinc/50/47/11/494504711.db2.gz FBGAQKVTKJJUHF-INIZCTEOSA-N 2 0 373.497 3.198 20 0 FGADRP CC(C)C[NH+]1CCC(NC(=O)c2oc3ccccc3c2C[NH+](C)C)CC1 ZINC000074253848 494505291 /nfs/dbraw/zinc/50/52/91/494505291.db2.gz DSFGQGLDKUXOCD-UHFFFAOYSA-N 2 0 357.498 3.345 20 0 FGADRP COc1ccc2c(c1)OC[C@H]([NH2+][C@H](C)c1cccc(OCC[NH+](C)C)c1)C2 ZINC000090964787 494506855 /nfs/dbraw/zinc/50/68/55/494506855.db2.gz UYIOEFIQBLWITP-VQIMIIECSA-N 2 0 370.493 3.290 20 0 FGADRP C[NH+](C)CCC1CC[NH+]([C@@H](C(=O)N2CCCCC2)c2ccccc2)CC1 ZINC000056523568 494519413 /nfs/dbraw/zinc/51/94/13/494519413.db2.gz DYFAYLXOENEERL-OAQYLSRUSA-N 2 0 357.542 3.404 20 0 FGADRP CCc1ccc([C@H](C)NC(=O)[C@@H](C)[NH+]2CCC(CC[NH+](C)C)CC2)cc1 ZINC000056523319 494519505 /nfs/dbraw/zinc/51/95/05/494519505.db2.gz JTUBRJOVBOVZHC-ZWKOTPCHSA-N 2 0 359.558 3.478 20 0 FGADRP C[NH+](C)CCC1CC[NH+](Cc2cccc(C(=O)NCc3ccco3)c2)CC1 ZINC000056521763 494519656 /nfs/dbraw/zinc/51/96/56/494519656.db2.gz BVYDPNFCYQJJHR-UHFFFAOYSA-N 2 0 369.509 3.373 20 0 FGADRP [NH3+]C[C@@H](Cc1ccccc1)[C@@H]1CCCCN1C(=O)c1ccc2c(c1)C[NH2+]C2 ZINC000580300392 505727518 /nfs/dbraw/zinc/72/75/18/505727518.db2.gz GAWLFYNIRAWLAZ-IRLDBZIGSA-N 2 0 363.505 3.102 20 0 FGADRP CC[NH+](CC)CCCNC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000080055184 494578043 /nfs/dbraw/zinc/57/80/43/494578043.db2.gz VGTNIQBDYATOSI-QUCCMNQESA-N 2 0 360.546 3.071 20 0 FGADRP CC(C)CC[NH+]1CCC(CNC(=O)NC2CC[NH+](CC(C)C)CC2)CC1 ZINC000080064849 494581990 /nfs/dbraw/zinc/58/19/90/494581990.db2.gz FVCLVCXLWNCDQN-UHFFFAOYSA-N 2 0 366.594 3.164 20 0 FGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@H]2CCSc3ccc(F)cc32)CC1 ZINC000121105710 494598831 /nfs/dbraw/zinc/59/88/31/494598831.db2.gz XTNJBCXXQOLSPQ-YJBOKZPZSA-N 2 0 351.535 3.226 20 0 FGADRP FC(F)(F)c1ccn(-c2ccc(C[NH2+]CCC[NH+]3CCCC3)cc2)n1 ZINC000067666986 494605453 /nfs/dbraw/zinc/60/54/53/494605453.db2.gz LEYKBXKWPYVXQD-UHFFFAOYSA-N 2 0 352.404 3.467 20 0 FGADRP Cc1c[nH+]ccc1N1CCC(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)CC1 ZINC000074823799 494610056 /nfs/dbraw/zinc/61/00/56/494610056.db2.gz VSADOLLZOGIVED-UHFFFAOYSA-N 2 0 358.530 3.032 20 0 FGADRP C[NH+](C)CCOc1ccc(CN[C@@H](c2ncc[nH]2)c2ccccc2)cc1 ZINC000126029259 494612493 /nfs/dbraw/zinc/61/24/93/494612493.db2.gz QFVQCMJVZKXTCY-HXUWFJFHSA-N 2 0 350.466 3.229 20 0 FGADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N(C)C[C@@H]1CCC[NH+](C)C1 ZINC000115794922 494623768 /nfs/dbraw/zinc/62/37/68/494623768.db2.gz FMVCGKSMSZADLI-GOSISDBHSA-N 2 0 360.546 3.010 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N(C)C[C@@H]1CCC[N@H+](C)C1)c1ccsc1 ZINC000115796599 494624974 /nfs/dbraw/zinc/62/49/74/494624974.db2.gz VYNCROKJFJGMBH-SJLPKXTDSA-N 2 0 366.575 3.114 20 0 FGADRP COCOc1ccc(OC)cc1CNC[C@H]1CCC[N@H+](CC(C)C)C1 ZINC000121191229 494637992 /nfs/dbraw/zinc/63/79/92/494637992.db2.gz IONFNTVUSAHWDV-QGZVFWFLSA-N 2 0 350.503 3.136 20 0 FGADRP C[C@@H]1C[N@@H+](CC2CC[NH+](CC3=Cc4ccccc4OC3)CC2)C[C@H](C)O1 ZINC000092587317 494677020 /nfs/dbraw/zinc/67/70/20/494677020.db2.gz ZJPDUNQPTCPQNO-HDICACEKSA-N 2 0 356.510 3.284 20 0 FGADRP C[C@@H]1CCN(C(=O)/C=C/c2ccc(-n3ccnc3)cc2)C[C@H]1n1ccnc1 ZINC000126323348 494709277 /nfs/dbraw/zinc/70/92/77/494709277.db2.gz ZKLKQAKMVSZQGY-CLBQAEEHSA-N 2 0 361.449 3.192 20 0 FGADRP CC(C)CN(C(=O)C[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1)C1CC1 ZINC000092821285 494764741 /nfs/dbraw/zinc/76/47/41/494764741.db2.gz FXPAMIJDJQTTCM-UHFFFAOYSA-N 2 0 372.557 3.267 20 0 FGADRP CN(c1ccccc1C[N@@H+]1CCC[C@H](c2ncc[nH]2)C1)C1CC[NH+](C)CC1 ZINC000092072875 494777599 /nfs/dbraw/zinc/77/75/99/494777599.db2.gz WXSCAANZIKZOPN-IBGZPJMESA-N 2 0 367.541 3.320 20 0 FGADRP CC(C)CN(CC[NH+](C)C)C(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000116561580 494815599 /nfs/dbraw/zinc/81/55/99/494815599.db2.gz XEAYXVHOIPYKEG-IBGZPJMESA-N 2 0 374.573 3.441 20 0 FGADRP C[C@@H]([NH2+]CCCN1CCC[N@H+](C)CC1)c1ccc(Br)cc1F ZINC000126730765 494828193 /nfs/dbraw/zinc/82/81/93/494828193.db2.gz JOZDFVSLIFGVDZ-CQSZACIVSA-N 2 0 372.326 3.266 20 0 FGADRP CCCCCOc1ccc(C[N@@H+]2CC[C@H](N3CC[NH+](CC)CC3)C2)cc1 ZINC000093133164 494831129 /nfs/dbraw/zinc/83/11/29/494831129.db2.gz CMXVHRDQDYFZQA-NRFANRHFSA-N 2 0 359.558 3.467 20 0 FGADRP Cc1nc(C(C)C)sc1[C@H](C)[NH2+]C[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC000132434674 494872896 /nfs/dbraw/zinc/87/28/96/494872896.db2.gz RVAPEWKQZYCICP-RDJZCZTQSA-N 2 0 352.592 3.498 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cccc2ccc(C)nc21 ZINC000132457843 494877682 /nfs/dbraw/zinc/87/76/82/494877682.db2.gz LBYRTAROLVYBBE-IBGZPJMESA-N 2 0 368.525 3.031 20 0 FGADRP CSc1ccc([C@@H](C)[NH2+]C[C@H](C(C)C)N2CC[NH+](C)CC2)cc1F ZINC000132457916 494878230 /nfs/dbraw/zinc/87/82/30/494878230.db2.gz DRSXHDPRFBOKEC-CRAIPNDOSA-N 2 0 353.551 3.470 20 0 FGADRP CCN1CC[NH+](CCCC[NH2+][C@@H]2CCCOc3cc4c(cc32)CCC4)CC1 ZINC000121906056 494886722 /nfs/dbraw/zinc/88/67/22/494886722.db2.gz XZULMCUZIGRGJX-JOCHJYFZSA-N 2 0 371.569 3.396 20 0 FGADRP C[NH+](C)CCC1CC[NH+](CCOc2ccccc2Br)CC1 ZINC000093546635 494899550 /nfs/dbraw/zinc/89/95/50/494899550.db2.gz DHZWXLNUBOTTCJ-UHFFFAOYSA-N 2 0 355.320 3.492 20 0 FGADRP CCOCCCn1c2ccccc2nc1NCc1cn2cc(C)ccc2n1 ZINC000568669596 505748675 /nfs/dbraw/zinc/74/86/75/505748675.db2.gz MPZDKCOAHMEKBW-UHFFFAOYSA-N 2 0 363.465 3.453 20 0 FGADRP COCC[N@H+](C)CCCC1CC[NH+]([C@@H](C)C(=O)Nc2ccccc2)CC1 ZINC000122117609 494926665 /nfs/dbraw/zinc/92/66/65/494926665.db2.gz VPMXADKLFVTPRM-SFHVURJKSA-N 2 0 361.530 3.084 20 0 FGADRP CC(=O)Nc1ccccc1C[NH+]1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000093844429 494926983 /nfs/dbraw/zinc/92/69/83/494926983.db2.gz LPYQGWDYRMJQHW-QZTJIDSGSA-N 2 0 373.541 3.356 20 0 FGADRP COc1ccsc1C[NH+]1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000093844238 494926986 /nfs/dbraw/zinc/92/69/86/494926986.db2.gz WHKPFPXNMYBSCC-IYBDPMFKSA-N 2 0 352.544 3.468 20 0 FGADRP Cc1cc(Cl)cc2c1OCCC[C@@H]2[NH2+]C[C@@H](C)CN1CC[NH+](C)CC1 ZINC000122251042 494947329 /nfs/dbraw/zinc/94/73/29/494947329.db2.gz PTTBMICHEFUVFP-BEFAXECRSA-N 2 0 365.949 3.335 20 0 FGADRP O=C(N[C@H](C[NH+]1CCCC1)c1ccccc1)N1CCC([NH+]2CCCC2)CC1 ZINC000127594641 494967624 /nfs/dbraw/zinc/96/76/24/494967624.db2.gz HZSBYCNGVILVPC-OAQYLSRUSA-N 2 0 370.541 3.093 20 0 FGADRP C[C@@H](C[NH2+][C@@H](C)C(c1ccccc1)c1ccccc1)N1CC[NH+](C)CC1 ZINC000127635453 494973199 /nfs/dbraw/zinc/97/31/99/494973199.db2.gz CUDQCPIQUQPGAT-PMACEKPBSA-N 2 0 351.538 3.433 20 0 FGADRP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2ccccc2N(C)C2CC[NH+](C)CC2)C1 ZINC000133297574 494997033 /nfs/dbraw/zinc/99/70/33/494997033.db2.gz VKKMMPKAKFOQOG-LJQANCHMSA-N 3 0 358.574 3.039 20 0 FGADRP CC(C)CC[NH+]1CCC(C[NH2+][C@@H](C)CS(=O)(=O)c2ccccc2)CC1 ZINC000122658172 495010922 /nfs/dbraw/zinc/01/09/22/495010922.db2.gz JBZHXWZFCZFXBM-SFHVURJKSA-N 2 0 366.571 3.197 20 0 FGADRP C[C@H](C[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1)N1CCC(C)CC1 ZINC000133422523 495011711 /nfs/dbraw/zinc/01/17/11/495011711.db2.gz VAYPUTRATUUIRJ-HXUWFJFHSA-N 2 0 372.601 3.427 20 0 FGADRP C[NH+](C)CC[C@@H](NC(=O)N1CCC([NH2+]C2CCCC2)CC1)C(C)(C)C ZINC000133650474 495041495 /nfs/dbraw/zinc/04/14/95/495041495.db2.gz CKBDPKAZUPWGOK-GOSISDBHSA-N 2 0 352.567 3.059 20 0 FGADRP C[C@@H](CNC(=O)NCc1cccc(C[NH+](C)C)c1)[N@H+](C)Cc1ccccc1 ZINC000111453127 495075978 /nfs/dbraw/zinc/07/59/78/495075978.db2.gz ZPYKBMLDZHVXNY-SFHVURJKSA-N 2 0 368.525 3.068 20 0 FGADRP C[NH+](C)CCCC1CC[NH+](CC(=O)N(Cc2ccccc2)C2CC2)CC1 ZINC000123133034 495085303 /nfs/dbraw/zinc/08/53/03/495085303.db2.gz IGZQVYHETLYYRC-UHFFFAOYSA-N 2 0 357.542 3.231 20 0 FGADRP C[NH+](C)CCCC1CC[NH+](C[C@H](O)COCc2ccccc2Cl)CC1 ZINC000123191930 495094179 /nfs/dbraw/zinc/09/41/79/495094179.db2.gz PUECXYLHDIEPHD-IBGZPJMESA-N 2 0 368.949 3.271 20 0 FGADRP O=C(C[N@@H+]1CCC2(CCC2)C1)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000123298993 495110080 /nfs/dbraw/zinc/11/00/80/495110080.db2.gz JNTUSOYAGTZJOS-UHFFFAOYSA-N 2 0 359.539 3.050 20 0 FGADRP CCCC[NH+]1CCC(NC(=O)NC[C@@H](c2ccco2)[NH+](CC)CC)CC1 ZINC000102006118 495114294 /nfs/dbraw/zinc/11/42/94/495114294.db2.gz GQPRJVRAYMBJDF-SFHVURJKSA-N 2 0 364.534 3.226 20 0 FGADRP C[NH+](C)CCCC1CC[NH+](CCC(=O)NCc2ccccc2Cl)CC1 ZINC000123342758 495118075 /nfs/dbraw/zinc/11/80/75/495118075.db2.gz BNJJSUFILAUYTO-UHFFFAOYSA-N 2 0 365.949 3.400 20 0 FGADRP O=C(NC1CC[NH+](C2CCCC2)CC1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000128838882 495157449 /nfs/dbraw/zinc/15/74/49/495157449.db2.gz FQAWVKAQLGHLKE-LAUBAEHRSA-N 2 0 374.573 3.052 20 0 FGADRP Cc1csc(=O)n1CC[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000103142886 495198476 /nfs/dbraw/zinc/19/84/76/495198476.db2.gz IACXAEBADITWOO-UHFFFAOYSA-N 2 0 359.539 3.062 20 0 FGADRP C[C@H](C[NH+]1CCCCC1)NC(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000103305559 495216937 /nfs/dbraw/zinc/21/69/37/495216937.db2.gz SLNRUFSMMGIODS-UXHICEINSA-N 2 0 364.578 3.014 20 0 FGADRP CC[C@H](C)[N@H+](C)CCNC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000103314377 495218581 /nfs/dbraw/zinc/21/85/81/495218581.db2.gz JQVGMWZEYOXJAM-RBUKOAKNSA-N 2 0 352.567 3.014 20 0 FGADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccc(NC(=O)c2cccnc2)cc1 ZINC000129426558 495244533 /nfs/dbraw/zinc/24/45/33/495244533.db2.gz CYKZQVNWYNXNJL-GUXCAODWSA-N 2 0 352.482 3.152 20 0 FGADRP CC(C)[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[NH+]1CCCCC1 ZINC000104199205 495271253 /nfs/dbraw/zinc/27/12/53/495271253.db2.gz GXTBCPHFSVFMRX-NRFANRHFSA-N 2 0 357.542 3.278 20 0 FGADRP CC[NH+](CC)CCCNC(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000120027277 495291837 /nfs/dbraw/zinc/29/18/37/495291837.db2.gz ZOGJHKWYFKPRJO-UHFFFAOYSA-N 2 0 352.567 3.061 20 0 FGADRP C[NH+](C)CCNC(=O)c1ccc(C[NH2+][C@@H]2CCC[C@@H](C(F)(F)F)C2)cc1 ZINC000129987046 495324099 /nfs/dbraw/zinc/32/40/99/495324099.db2.gz WGRDKPUHTYKHRA-IAGOWNOFSA-N 2 0 371.447 3.189 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1)c1ccccc1 ZINC000105083445 495335322 /nfs/dbraw/zinc/33/53/22/495335322.db2.gz CJYMSAMDDZAUPQ-TZIWHRDSSA-N 2 0 374.573 3.489 20 0 FGADRP C[C@H](C[C@H](C)[NH3+])NC(=O)NCCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000574450045 505776264 /nfs/dbraw/zinc/77/62/64/505776264.db2.gz CHCBPDYMMUYNLG-RBUKOAKNSA-N 2 0 374.573 3.146 20 0 FGADRP C[C@H](CCNC(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1)[N@H+](C)Cc1ccccc1 ZINC000571630277 505777644 /nfs/dbraw/zinc/77/76/44/505777644.db2.gz KOEZXOJWDRMFSO-MOPGFXCFSA-N 2 0 374.573 3.269 20 0 FGADRP O[C@H]1CC[N@H+](Cc2ccccc2C[NH2+][C@H]2CCC[C@H](C(F)(F)F)C2)C1 ZINC000130372590 495381527 /nfs/dbraw/zinc/38/15/27/495381527.db2.gz SCLRCRBVANOLMM-BZSNNMDCSA-N 2 0 356.432 3.464 20 0 FGADRP CC(C)CC[C@@H](O)C[NH2+][C@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000571633739 505779247 /nfs/dbraw/zinc/77/92/47/505779247.db2.gz BBZGFZPKXZUXPP-SJLPKXTDSA-N 2 0 351.510 3.025 20 0 FGADRP CC[C@@H]([NH2+]CC1CC[NH+](Cc2ccc(OC)cc2)CC1)c1cnn(C)c1 ZINC000120662848 495429813 /nfs/dbraw/zinc/42/98/13/495429813.db2.gz YCKMLNFRHICYEO-OAQYLSRUSA-N 2 0 356.514 3.382 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)NC1CCC(C[NH+](C)C)CC1)c1ccccc1 ZINC000137430120 495441098 /nfs/dbraw/zinc/44/10/98/495441098.db2.gz ZOCMHUXOMYPYAV-DQVLVPHSSA-N 2 0 374.573 3.489 20 0 FGADRP C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]C[C@@H](C)N(C)C1CC1 ZINC000130829095 495451916 /nfs/dbraw/zinc/45/19/16/495451916.db2.gz XDIGBAIPFXDTAV-CHWSQXEVSA-N 2 0 357.420 3.495 20 0 FGADRP CC(C)c1ccc(CC[NH2+]Cc2ccnc(N3CC[NH+](C)CC3)c2)cc1 ZINC000138099454 495455642 /nfs/dbraw/zinc/45/56/42/495455642.db2.gz TXJXUFNNUCHACV-UHFFFAOYSA-N 2 0 352.526 3.289 20 0 FGADRP c1c[nH]c([C@@H](NCc2ccc(CN3CCOCC3)cc2)c2ccccc2)n1 ZINC000125583552 495466191 /nfs/dbraw/zinc/46/61/91/495466191.db2.gz WLZCPDUVJFAKTL-NRFANRHFSA-N 2 0 362.477 3.121 20 0 FGADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)N[C@@H](C[NH3+])c2ccc3ccccc3c2)C1 ZINC000571656831 505784347 /nfs/dbraw/zinc/78/43/47/505784347.db2.gz KLSDZLNQRFASNN-UTKZUKDTSA-N 2 0 368.525 3.259 20 0 FGADRP C[C@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1ccc(Br)c(F)c1 ZINC000131096673 495491334 /nfs/dbraw/zinc/49/13/34/495491334.db2.gz PENFBUXTLICMJI-ZDUSSCGKSA-N 2 0 372.326 3.265 20 0 FGADRP C[C@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1ccc(Br)cc1F ZINC000125805199 495501814 /nfs/dbraw/zinc/50/18/14/495501814.db2.gz IMCNKCAEYKGKII-ZDUSSCGKSA-N 2 0 372.326 3.265 20 0 FGADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H](C)c2ccc(Br)cc2F)CC1 ZINC000125895227 495515260 /nfs/dbraw/zinc/51/52/60/495515260.db2.gz HVZCQQWSXVBPAK-UONOGXRCSA-N 2 0 372.326 3.265 20 0 FGADRP COc1cc([C@@H](C)[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)ccc1S(C)(=O)=O ZINC000125918277 495518884 /nfs/dbraw/zinc/51/88/84/495518884.db2.gz XWMOWYMUFPJKMD-KDOFPFPSSA-N 2 0 370.559 3.116 20 0 FGADRP CCCC[NH+]1CCC(NC(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)CC1 ZINC000158536068 495532518 /nfs/dbraw/zinc/53/25/18/495532518.db2.gz FNFRCLGKEPZSCN-NRFANRHFSA-N 2 0 372.557 3.387 20 0 FGADRP CC[N@H+](CCNC(=O)N(C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1)C(C)C ZINC000158594931 495546567 /nfs/dbraw/zinc/54/65/67/495546567.db2.gz VQAQAPOTVQKYSS-TZIWHRDSSA-N 2 0 374.573 3.411 20 0 FGADRP Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@@H]2[NH2+]CC2CC[NH+](C)CC2)cc1 ZINC000185359055 495546579 /nfs/dbraw/zinc/54/65/79/495546579.db2.gz NBJNWJGIJVMYGT-VQTJNVASSA-N 2 0 364.555 3.011 20 0 FGADRP O[C@@H](C[NH2+]C1CC[NH+](C2CCCC2)CC1)COc1ccc(Cl)cc1 ZINC000574512181 505789260 /nfs/dbraw/zinc/78/92/60/505789260.db2.gz LVZZZBAOHFHEAU-SFHVURJKSA-N 2 0 352.906 3.076 20 0 FGADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@H](O)COc1cccc(Cl)c1Cl ZINC000154279923 495566981 /nfs/dbraw/zinc/56/69/81/495566981.db2.gz GWEKSUDOLUTFHP-GUIRCDHDSA-N 2 0 361.313 3.051 20 0 FGADRP C[C@H](CCNC(=O)NC1CC[NH+](Cc2ccccc2)CC1)[NH+]1CCCCC1 ZINC000182448282 495568410 /nfs/dbraw/zinc/56/84/10/495568410.db2.gz CSRKWSKGUQLVTH-LJQANCHMSA-N 2 0 372.557 3.215 20 0 FGADRP CCC[NH+]1CCC(N(C)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)CC1 ZINC000577770135 505789740 /nfs/dbraw/zinc/78/97/40/505789740.db2.gz JDZAMOIZINXBIA-NQIIRXRSSA-N 2 0 372.557 3.165 20 0 FGADRP COC(=O)c1cc(C[N@@H+]2CCC[C@H]2Cn2c(C)nc3ccccc32)cn1C ZINC000571687918 505790900 /nfs/dbraw/zinc/79/09/00/505790900.db2.gz SYTGVOBSJAGHTE-KRWDZBQOSA-N 2 0 366.465 3.134 20 0 FGADRP O[C@H](Cc1ccccc1C(F)(F)F)C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000154379996 495599113 /nfs/dbraw/zinc/59/91/13/495599113.db2.gz CEBWXGUOKOPKIC-SJLPKXTDSA-N 2 0 370.459 3.417 20 0 FGADRP C[N@@H+]1CCC[C@H]2CN(CC(=O)Nc3cccc(C(F)(F)F)c3)CC[C@@H]21 ZINC000158903612 495612589 /nfs/dbraw/zinc/61/25/89/495612589.db2.gz BXRPETHYXBIOJO-BBRMVZONSA-N 2 0 355.404 3.060 20 0 FGADRP C[C@H](NC(=O)[C@H](C)N1CC[C@H](C[NH+]2CCCC2)C1)c1ccc(Cl)cc1 ZINC000150816992 495643781 /nfs/dbraw/zinc/64/37/81/495643781.db2.gz VVYIFIVFDCFJFY-YESZJQIVSA-N 2 0 363.933 3.323 20 0 FGADRP CC(C)[C@@H](O)C(C)(C)C[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000159077279 495652579 /nfs/dbraw/zinc/65/25/79/495652579.db2.gz UJSJYIKMCSRJKM-OAQYLSRUSA-N 2 0 361.574 3.350 20 0 FGADRP Cc1ccc(OC[C@H](O)C[NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c(C)c1 ZINC000185661636 495668695 /nfs/dbraw/zinc/66/86/95/495668695.db2.gz HMQGZNANVSNICT-SFHLNBCPSA-N 2 0 360.542 3.286 20 0 FGADRP CC[NH+](CC)Cc1cc([C@@H](C)[NH2+][C@@H]2CCc3nc(C)nn3C2)ccc1OC ZINC000182776320 495698923 /nfs/dbraw/zinc/69/89/23/495698923.db2.gz KLQCQOSZMOGIHO-DNVCBOLYSA-N 2 0 371.529 3.103 20 0 FGADRP Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000150979933 495701151 /nfs/dbraw/zinc/70/11/51/495701151.db2.gz WMFNPLHAWJMXCW-HNNXBMFYSA-N 2 0 373.570 3.190 20 0 FGADRP C[N@H+](CCNC1CC[NH+](CCc2ccccc2)CC1)Cc1ccccc1 ZINC000151027959 495715588 /nfs/dbraw/zinc/71/55/88/495715588.db2.gz ZVEHTCTWZUUGST-UHFFFAOYSA-N 2 0 351.538 3.415 20 0 FGADRP CCC[N@@H+]1CC[C@@H](C[NH2+]C2CCN(C(=O)c3ccccc3Cl)CC2)C1 ZINC000151096412 495736470 /nfs/dbraw/zinc/73/64/70/495736470.db2.gz FMBFOQJFECITDQ-INIZCTEOSA-N 2 0 363.933 3.266 20 0 FGADRP Cc1ccc(-c2nc(C[NH2+][C@H](C)CCN3CC[NH+](C)CC3)cs2)cc1 ZINC000185865725 495755791 /nfs/dbraw/zinc/75/57/91/495755791.db2.gz LENIKDQGBWOWMM-QGZVFWFLSA-N 2 0 358.555 3.234 20 0 FGADRP CSC1(C[NH2+][C@H](C)c2ccc(OCC[NH+](C)C)cc2)CC[NH+](C)CC1 ZINC000574561791 505802442 /nfs/dbraw/zinc/80/24/42/505802442.db2.gz XHRDDSKXBVWRMF-QGZVFWFLSA-N 3 0 365.587 3.105 20 0 FGADRP CC(C)(C(=O)N1CC[C@H](c2ccc(F)cc2)[C@@H]([NH3+])C1)[C@H]([NH3+])c1ccccc1 ZINC000574571562 505805594 /nfs/dbraw/zinc/80/55/94/505805594.db2.gz PVNPEQAPEDSOQN-HSALFYBXSA-N 2 0 369.484 3.195 20 0 FGADRP C[NH+](C)Cc1c2ccccc2oc1C(=O)Nc1cc(C[NH+](C)C)ccn1 ZINC000176908671 495836424 /nfs/dbraw/zinc/83/64/24/495836424.db2.gz CMFDMZKNAXIHNK-UHFFFAOYSA-N 2 0 352.438 3.203 20 0 FGADRP Cc1nn(C)c(C)c1CC[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000183127165 495845652 /nfs/dbraw/zinc/84/56/52/495845652.db2.gz CKEXFZUTTFGBBO-AKIFATBCSA-N 2 0 366.553 3.470 20 0 FGADRP Cn1ccnc1COc1ccc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)cc1 ZINC000171385836 495850087 /nfs/dbraw/zinc/85/00/87/495850087.db2.gz VITBNMFNZWAPGM-UHFFFAOYSA-N 2 0 368.525 3.307 20 0 FGADRP C[C@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+]C1CCN(Cc2ccccn2)CC1 ZINC000151565720 495879488 /nfs/dbraw/zinc/87/94/88/495879488.db2.gz RSWYYZGQBWBNMO-CVDCTZTESA-N 2 0 364.537 3.156 20 0 FGADRP CCC[N@H+](C)C[C@@H]1CC[NH+](C[C@H](O)CO[C@@H]2CCCc3ccccc32)C1 ZINC000177034493 495893245 /nfs/dbraw/zinc/89/32/45/495893245.db2.gz QEELZBBKESWTFJ-RCZSKKKRSA-N 2 0 360.542 3.105 20 0 FGADRP CC(C)[NH+]1CCC(C(=O)NC[C@H](C[NH+](C)C)c2ccc(Cl)cc2)CC1 ZINC000577877983 505810433 /nfs/dbraw/zinc/81/04/33/505810433.db2.gz ZIQLAYLLTFQEPL-GOSISDBHSA-N 2 0 365.949 3.222 20 0 FGADRP O=C(NCc1cccc(C[NH+]2CCCC2)c1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000171615814 495949965 /nfs/dbraw/zinc/94/99/65/495949965.db2.gz BQXKWNCGWQCBIX-NRFANRHFSA-N 2 0 370.541 3.052 20 0 FGADRP C[C@H]1C[C@H]([NH2+]CC2CC[NH+](CCO)CC2)c2cccc(Br)c21 ZINC000151857758 495970873 /nfs/dbraw/zinc/97/08/73/495970873.db2.gz MTFSJXCZAUFJEP-GUYCJALGSA-N 2 0 367.331 3.291 20 0 FGADRP Cc1cc(C)cc([C@@H]2CC[N@@H+](CC(=O)NC3CC[NH+](C(C)C)CC3)C2)c1 ZINC000183486177 496005665 /nfs/dbraw/zinc/00/56/65/496005665.db2.gz GLJRPPOSUDKXKJ-LJQANCHMSA-N 2 0 357.542 3.082 20 0 FGADRP CC[N@H+](CC(=O)NC[C@H]1CC[NH+](C)[C@@H]1c1ccc(Cl)c(F)c1)C1CC1 ZINC000155611814 496012671 /nfs/dbraw/zinc/01/26/71/496012671.db2.gz NRIYFJHUSYFXOT-AUUYWEPGSA-N 2 0 367.896 3.072 20 0 FGADRP C[C@@H]([NH2+][C@@H](C)CCN1CC[NH+](C)CC1)c1cccc(OC(F)(F)F)c1 ZINC000186576060 496053770 /nfs/dbraw/zinc/05/37/70/496053770.db2.gz FPBMNXKKFLOITR-LSDHHAIUSA-N 2 0 359.436 3.262 20 0 FGADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H](C)c2cccc(OC(F)(F)F)c2)CC1 ZINC000155744891 496055342 /nfs/dbraw/zinc/05/53/42/496055342.db2.gz WJGFHQOCYRCFIU-CABCVRRESA-N 2 0 359.436 3.262 20 0 FGADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H](C)c2ccc(OC(F)(F)F)cc2)CC1 ZINC000155746023 496055574 /nfs/dbraw/zinc/05/55/74/496055574.db2.gz PFYZGOOBIUJSOB-HUUCEWRRSA-N 2 0 359.436 3.262 20 0 FGADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1ccc(F)cc1Br ZINC000186586410 496058388 /nfs/dbraw/zinc/05/83/88/496058388.db2.gz ZELLOPHXASERNC-KGLIPLIRSA-N 2 0 372.326 3.265 20 0 FGADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H](C)c2cccc(-c3ccncc3)c2)CC1 ZINC000155757778 496058631 /nfs/dbraw/zinc/05/86/31/496058631.db2.gz BIHKGNCYWICSBN-MOPGFXCFSA-N 2 0 352.526 3.425 20 0 FGADRP CC[NH+]1CCC(CC[NH2+][C@@H](CN2CCOCC2)c2ccccc2C)CC1 ZINC000183675479 496074545 /nfs/dbraw/zinc/07/45/45/496074545.db2.gz PIIVFRDLBKMKNU-QFIPXVFZSA-N 2 0 359.558 3.080 20 0 FGADRP CC[NH+](CC)CCOc1ccc(C(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)cc1 ZINC000177542188 496105286 /nfs/dbraw/zinc/10/52/86/496105286.db2.gz MJVJIMPTIYZTSF-RBUKOAKNSA-N 2 0 361.530 3.010 20 0 FGADRP CC[NH+](CC)CCCC1CCN(C(=O)NCC2CC[NH+](CC)CC2)CC1 ZINC000571833238 505823792 /nfs/dbraw/zinc/82/37/92/505823792.db2.gz NOGLRHDATSKYPU-UHFFFAOYSA-N 2 0 366.594 3.262 20 0 FGADRP CN(c1ccccc1CNC1CC[NH+](CC2CC2)CC1)C1CC[NH+](C)CC1 ZINC000177562828 496113804 /nfs/dbraw/zinc/11/38/04/496113804.db2.gz IYLJGEVCKXMIJJ-UHFFFAOYSA-N 2 0 370.585 3.181 20 0 FGADRP Cc1cccc2nc(CNC(=O)c3oc4ccccc4c3C[NH+](C)C)cn21 ZINC000155974615 496121659 /nfs/dbraw/zinc/12/16/59/496121659.db2.gz LJKOZXAIUWBZCQ-UHFFFAOYSA-N 2 0 362.433 3.381 20 0 FGADRP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc(OCc2nccn2C)cc1 ZINC000152408543 496142717 /nfs/dbraw/zinc/14/27/17/496142717.db2.gz SNXNWZLJSAPHCF-SJORKVTESA-N 2 0 354.498 3.134 20 0 FGADRP C[C@@H](CC(=O)Nc1cccnc1Cl)[NH2+]CC1(C[NH+](C)C)CCCC1 ZINC000183950189 496172902 /nfs/dbraw/zinc/17/29/02/496172902.db2.gz UDRJNIFFCMCAFZ-AWEZNQCLSA-N 2 0 352.910 3.164 20 0 FGADRP C[NH+](C)CCNC(=O)c1ccc(C[NH2+][C@@H]2CCc3cc(Cl)ccc32)cc1 ZINC000180996212 496234580 /nfs/dbraw/zinc/23/45/80/496234580.db2.gz VTLOLZDCTGKNDY-HXUWFJFHSA-N 2 0 371.912 3.409 20 0 FGADRP C[C@@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)c1ccc(Cl)cc1 ZINC000180995877 496234796 /nfs/dbraw/zinc/23/47/96/496234796.db2.gz AHLLCAMGZCPEPP-OAHLLOKOSA-N 2 0 359.901 3.482 20 0 FGADRP C[C@@H]([NH2+]CCCN1CC[N@H+](C)C[C@@H]1c1ccccc1)C1CCSCC1 ZINC000186990591 496242531 /nfs/dbraw/zinc/24/25/31/496242531.db2.gz QCXCALBGDMPHQR-WIYYLYMNSA-N 2 0 361.599 3.487 20 0 FGADRP C[N@H+](Cc1ccco1)Cc1ccccc1CNc1cc[nH+]cc1C(N)=O ZINC000184122968 496248150 /nfs/dbraw/zinc/24/81/50/496248150.db2.gz FYZLMWSSSONKAM-UHFFFAOYSA-N 2 0 350.422 3.018 20 0 FGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc3c(c2)OCCCO3)[C@H](C)C1 ZINC000161860702 496250902 /nfs/dbraw/zinc/25/09/02/496250902.db2.gz KRVACCFQBPHQTD-IEBWSBKVSA-N 2 0 362.514 3.075 20 0 FGADRP C[C@H]([NH2+]C1CCN(CCc2ccncc2)CC1)c1ccc([S@@](C)=O)cc1 ZINC000152862901 496278077 /nfs/dbraw/zinc/27/80/77/496278077.db2.gz ZODOVBQEWRTLEQ-QLXKLKPCSA-N 2 0 371.550 3.177 20 0 FGADRP C[C@H]([NH2+]C1CCN(CCc2ccncc2)CC1)c1ccc([S@](C)=O)cc1 ZINC000152862659 496278361 /nfs/dbraw/zinc/27/83/61/496278361.db2.gz ZODOVBQEWRTLEQ-MRDQGFSESA-N 2 0 371.550 3.177 20 0 FGADRP C[C@H]([NH2+]Cc1cccc(OCC[N@H+](C)C2CCOCC2)c1)c1ccncc1 ZINC000156594432 496288883 /nfs/dbraw/zinc/28/88/83/496288883.db2.gz YXFHDSYZTCXBNR-SFHVURJKSA-N 2 0 369.509 3.422 20 0 FGADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)N2CCC[NH+](C3CCCC3)CC2)C1 ZINC000172544236 496336205 /nfs/dbraw/zinc/33/62/05/496336205.db2.gz ZETIIWMCFYDWOY-LJQANCHMSA-N 2 0 364.578 3.158 20 0 FGADRP C[C@@H]1C[C@H]([NH2+]CCCN2CC[NH+](C)CC2)c2cccc(Br)c21 ZINC000162546263 496371779 /nfs/dbraw/zinc/37/17/79/496371779.db2.gz BHGOQRYECFXLAP-PBHICJAKSA-N 2 0 366.347 3.225 20 0 FGADRP C[C@@H]([NH2+]Cc1cccc(OCC[NH+](C)C)c1)c1ccc(-n2cncn2)cc1 ZINC000162597332 496380432 /nfs/dbraw/zinc/38/04/32/496380432.db2.gz DPBUOKKPCWKMJI-QGZVFWFLSA-N 2 0 365.481 3.059 20 0 FGADRP C[C@H]1C[NH+](CCCC[NH2+]C2CCN(CCc3ccccc3)CC2)C[C@H](C)O1 ZINC000162848609 496422702 /nfs/dbraw/zinc/42/27/02/496422702.db2.gz LCWSSZRXXQBCJL-SFTDATJTSA-N 2 0 373.585 3.173 20 0 FGADRP C[C@@H](NC(=O)CN1CCC[C@H]([NH+]2CCCC2)CC1)c1ccc(Cl)cc1 ZINC000157249485 496437381 /nfs/dbraw/zinc/43/73/81/496437381.db2.gz PBHPZMYBDRWBID-APWZRJJASA-N 2 0 363.933 3.468 20 0 FGADRP CN(C)[C@H](CNC(=O)NCc1ccn2ccnc2c1)c1ccccc1Cl ZINC000178403691 496443353 /nfs/dbraw/zinc/44/33/53/496443353.db2.gz XERLAXQMPQFWDX-QGZVFWFLSA-N 2 0 371.872 3.090 20 0 FGADRP Cc1nc(C)c([C@H](C)[NH2+]Cc2ccc(CN3CC[NH+](C)CC3)cc2)s1 ZINC000178414633 496448175 /nfs/dbraw/zinc/44/81/75/496448175.db2.gz LRCQVPKZCBHNHZ-HNNXBMFYSA-N 2 0 358.555 3.358 20 0 FGADRP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000187474870 496456666 /nfs/dbraw/zinc/45/66/66/496456666.db2.gz HHBAEKFGIDIMMO-SFTDATJTSA-N 2 0 372.557 3.023 20 0 FGADRP COC[C@H](Cc1ccccc1)[NH2+]Cc1cccc(CN2CCO[C@H](C)C2)c1 ZINC000153482263 496470094 /nfs/dbraw/zinc/47/00/94/496470094.db2.gz RFXWXPOANSVHHF-XXBNENTESA-N 2 0 368.521 3.255 20 0 FGADRP CC[NH+](CC)[C@H]1CCN(C(=O)NCC[C@@H](C)[N@H+](C)Cc2ccccc2)C1 ZINC000175632528 496474421 /nfs/dbraw/zinc/47/44/21/496474421.db2.gz WLMYGMWRUGDVRR-QUCCMNQESA-N 2 0 360.546 3.023 20 0 FGADRP CC[NH+](CC)Cc1ccccc1CNC(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000175645524 496481956 /nfs/dbraw/zinc/48/19/56/496481956.db2.gz NVDDIQNFFJQVGK-PMACEKPBSA-N 2 0 360.546 3.200 20 0 FGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]CCc2cccnc2)CC1 ZINC000181639889 496482278 /nfs/dbraw/zinc/48/22/78/496482278.db2.gz MXIRSXZYCFTNTM-QGZVFWFLSA-N 2 0 356.489 3.256 20 0 FGADRP C[C@H](NC(=O)c1ccccc1OCC[NH+](C)C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181662558 496491732 /nfs/dbraw/zinc/49/17/32/496491732.db2.gz DCFQTWXKEBKXHX-ROUUACIJSA-N 2 0 373.541 3.010 20 0 FGADRP Cc1cc(NC(=O)CC[NH2+]C2[C@@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)no1 ZINC000184747427 496516290 /nfs/dbraw/zinc/51/62/90/496516290.db2.gz CHBYDYVLUIBSCD-HOTGVXAUSA-N 2 0 370.497 3.058 20 0 FGADRP C[C@H](NC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1)C(C)(C)C[NH+](C)C ZINC000184813726 496543415 /nfs/dbraw/zinc/54/34/15/496543415.db2.gz ZDUZMNHZYMTPSO-SFHVURJKSA-N 2 0 359.558 3.381 20 0 FGADRP Cc1nccnc1[C@H](C)[NH2+]CCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000187794133 496574804 /nfs/dbraw/zinc/57/48/04/496574804.db2.gz AQYQDJRSRIWOOY-IBGZPJMESA-N 2 0 367.541 3.034 20 0 FGADRP Cc1ccncc1CCC[NH2+]CCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000580861233 505854931 /nfs/dbraw/zinc/85/49/31/505854931.db2.gz VVPINTOMOJAGOJ-UHFFFAOYSA-N 2 0 366.553 3.120 20 0 FGADRP C[C@@H]1C[NH+](CCCC[NH2+]Cc2sccc2Br)C[C@@H](C)O1 ZINC000185026399 496628303 /nfs/dbraw/zinc/62/83/03/496628303.db2.gz NNROJOIHYJGEQC-CHWSQXEVSA-N 2 0 361.349 3.490 20 0 FGADRP CCCCO[C@@H]1C[C@H]([NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)C1(C)C ZINC000182029456 496641878 /nfs/dbraw/zinc/64/18/78/496641878.db2.gz LHYBRYWFFBTJOM-FUMNGEBKSA-N 2 0 352.563 3.328 20 0 FGADRP O=C(NC1CC[NH+](C2CCCC2)CC1)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000176025438 496647961 /nfs/dbraw/zinc/64/79/61/496647961.db2.gz MLMHNMMBJQTUBT-HXUWFJFHSA-N 2 0 362.562 3.053 20 0 FGADRP Cc1cccc2[nH]cc(CC[NH2+][C@@H]3CC[N@@H+](C[C@@H]4CCCO4)C[C@@H]3C)c21 ZINC000165258642 496653603 /nfs/dbraw/zinc/65/36/03/496653603.db2.gz WWOKOWVKEWNHLI-YSIASYRMSA-N 2 0 355.526 3.498 20 0 FGADRP CC1CC[NH+]([C@H](CNC(=O)[C@H]([NH3+])Cc2ccccc2)c2ccccc2)CC1 ZINC000165725102 496666808 /nfs/dbraw/zinc/66/68/08/496666808.db2.gz ATEKFWGIOLNENR-FGZHOGPDSA-N 2 0 365.521 3.146 20 0 FGADRP C[C@@H](O)C[C@H]1CCC[NH+]1Cc1ccc(C[N@H+]2CCC[C@@H]2C[C@@H](C)O)cc1 ZINC000179092952 496672772 /nfs/dbraw/zinc/67/27/72/496672772.db2.gz GDQRNDUHTJCVHH-MCEIDBOGSA-N 2 0 360.542 3.157 20 0 FGADRP CCO[C@H](CC[NH+](C)C)C[NH2+]C1CCN(Cc2ccccc2Cl)CC1 ZINC000165972639 496674213 /nfs/dbraw/zinc/67/42/13/496674213.db2.gz HEIJLFOYTGUPAQ-LJQANCHMSA-N 2 0 367.965 3.251 20 0 FGADRP Cc1ccc2c(c1)[C@H]([NH2+]Cc1ccc(N3CC[NH+](C)CC3)nc1)CCC2 ZINC000166099428 496677057 /nfs/dbraw/zinc/67/70/57/496677057.db2.gz CWSXXFSDUWMRNS-OAQYLSRUSA-N 2 0 350.510 3.309 20 0 FGADRP CN(C)CC[NH+]1CCC(C[NH2+][C@H](C[C@H]2CCOC2)c2ccccc2)CC1 ZINC000166500749 496688027 /nfs/dbraw/zinc/68/80/27/496688027.db2.gz FWETTZOYQDIWRA-IFMALSPDSA-N 2 0 359.558 3.018 20 0 FGADRP COc1cc(Cl)c(C)cc1NC(=O)CC[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000158388546 496690780 /nfs/dbraw/zinc/69/07/80/496690780.db2.gz JIMHTPSFMVLGGK-OFQRWUPVSA-N 2 0 367.921 3.304 20 0 FGADRP CC(C)[NH+]1CCC(NC(=O)NC(C)(C)CC[NH+]2CCCCCC2)CC1 ZINC000188182856 496711077 /nfs/dbraw/zinc/71/10/77/496711077.db2.gz FMOWAJPQGVPKMF-UHFFFAOYSA-N 2 0 352.567 3.203 20 0 FGADRP Cc1ccc(OC[C@H](O)C[NH2+]Cc2ccc(C[NH+](C)C)c(F)c2)c(C)c1 ZINC000580888469 505861484 /nfs/dbraw/zinc/86/14/84/505861484.db2.gz NRSULMWZAIXTIK-LJQANCHMSA-N 2 0 360.473 3.034 20 0 FGADRP C[C@@H]([NH2+]CCCC[NH+]1CCN(CCO)CC1)c1cc(Cl)ccc1Cl ZINC000168957976 496713648 /nfs/dbraw/zinc/71/36/48/496713648.db2.gz HRWHWFLUPAUIAV-OAHLLOKOSA-N 2 0 374.356 3.034 20 0 FGADRP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1ccc2c(c1)CCO2 ZINC000182268808 496723805 /nfs/dbraw/zinc/72/38/05/496723805.db2.gz SWAWKBLONZUAKD-IERDGZPVSA-N 2 0 352.478 3.039 20 0 FGADRP CC[NH+](CC)Cc1cccc(CNC(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)c1 ZINC000182316687 496729336 /nfs/dbraw/zinc/72/93/36/496729336.db2.gz TUKDVXHGPUKKTC-RTWAWAEBSA-N 2 0 372.557 3.154 20 0 FGADRP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)CC1CC[NH+](C)CC1 ZINC000273192681 496735932 /nfs/dbraw/zinc/73/59/32/496735932.db2.gz JGVBKFXQAFSCPZ-SFHVURJKSA-N 2 0 357.542 3.409 20 0 FGADRP C[N@H+](CCNC(=O)c1ccccc1CC1CC[NH2+]CC1)Cc1ccccc1 ZINC000580894174 505862815 /nfs/dbraw/zinc/86/28/15/505862815.db2.gz ALAFKNVSBMUJLU-UHFFFAOYSA-N 2 0 365.521 3.091 20 0 FGADRP C[N@@H+]1CCCN(CCC[NH2+][C@H]2CCCOc3c(Cl)cccc32)CC1 ZINC000247025309 496755785 /nfs/dbraw/zinc/75/57/85/496755785.db2.gz NEHHLNMJUMTGNH-SFHVURJKSA-N 2 0 351.922 3.171 20 0 FGADRP C[C@H](Cn1cc(Br)cn1)[NH2+]CCCC[N@@H+]1CCCC[C@@H]1C ZINC000247044008 496761336 /nfs/dbraw/zinc/76/13/36/496761336.db2.gz MXJMMFNEGQEFFQ-CABCVRRESA-N 2 0 357.340 3.278 20 0 FGADRP CCCC[NH+]1CCC(NC(=O)NCc2ccccc2C[NH+]2CCCC2)CC1 ZINC000194954151 496772535 /nfs/dbraw/zinc/77/25/35/496772535.db2.gz HCQMLPIKJDOCMX-UHFFFAOYSA-N 2 0 372.557 3.346 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC000247094940 496777542 /nfs/dbraw/zinc/77/75/42/496777542.db2.gz QAENTNUNZIWAGP-FUMNGEBKSA-N 2 0 364.578 3.155 20 0 FGADRP COc1cc(OC)c(OC)cc1CN1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000247264677 496819664 /nfs/dbraw/zinc/81/96/64/496819664.db2.gz XTMLUBQDLQCXDU-YJBOKZPZSA-N 2 0 360.498 3.161 20 0 FGADRP C[C@H]1C[C@H](NCC2([NH+]3CCCC3)CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC000268921533 496824420 /nfs/dbraw/zinc/82/44/20/496824420.db2.gz WVLSDFYGZLUFIK-RBBKRZOGSA-N 2 0 371.569 3.274 20 0 FGADRP CCC[N@@H+]1CC[C@@H](CNC(=O)N2CCC[NH+](Cc3ccccc3)C[C@H]2C)C1 ZINC000247290455 496825764 /nfs/dbraw/zinc/82/57/64/496825764.db2.gz UISAKILLCBWWJK-CTNGQTDRSA-N 2 0 372.557 3.024 20 0 FGADRP COc1cc([C@H](C)[NH2+]CC2(O)CC[NH+](C)CC2)ccc1SC(F)F ZINC000268984082 496842653 /nfs/dbraw/zinc/84/26/53/496842653.db2.gz LAHKXNSLHKBUND-LBPRGKRZSA-N 2 0 360.470 3.117 20 0 FGADRP C[C@@H](CNC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)[NH+](C)C1CC1 ZINC000247398053 496851195 /nfs/dbraw/zinc/85/11/95/496851195.db2.gz QZOPIRSLSXOAMX-LVCYWYKZSA-N 2 0 372.557 3.164 20 0 FGADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)NCC[C@H](C)[NH+](C)Cc2ccccc2)C1 ZINC000247481594 496868397 /nfs/dbraw/zinc/86/83/97/496868397.db2.gz WDOLHCQNHJMTIR-PZJWPPBQSA-N 2 0 374.573 3.174 20 0 FGADRP Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)C1CC[NH+](C2CC2)CC1 ZINC000195407198 496914404 /nfs/dbraw/zinc/91/44/04/496914404.db2.gz DOPSPOGJTAUDJS-UHFFFAOYSA-N 2 0 373.566 3.357 20 0 FGADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000277881821 496920769 /nfs/dbraw/zinc/92/07/69/496920769.db2.gz WDQIEGKNBCLHGG-UHFFFAOYSA-N 2 0 372.557 3.200 20 0 FGADRP O=C(c1ccc(C[NH+]2CCCCC2)cc1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000264544705 496925773 /nfs/dbraw/zinc/92/57/73/496925773.db2.gz BKKQJMFIBYNWBX-OAQYLSRUSA-N 2 0 355.526 3.373 20 0 FGADRP C[N@@H+]1CCC[C@@H]2CN([C@H]3CCCN(c4ccccc4Cl)C3=O)CC[C@H]21 ZINC000247942632 496930452 /nfs/dbraw/zinc/93/04/52/496930452.db2.gz DEFUGEGXJBENEV-SUMDDJOVSA-N 2 0 361.917 3.252 20 0 FGADRP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)c1ccc(OC(F)(F)F)cc1 ZINC000247958236 496932756 /nfs/dbraw/zinc/93/27/56/496932756.db2.gz FWHZJUQBDANQKB-ZBFHGGJFSA-N 2 0 360.420 3.473 20 0 FGADRP FC(F)(F)c1ccn(-c2ccc(C[N@H+]3CC[C@H]4C[NH2+]C[C@H]4CC3)cc2)n1 ZINC000572037783 505874991 /nfs/dbraw/zinc/87/49/91/505874991.db2.gz DSOWZDTTYDLYIP-IYBDPMFKSA-N 2 0 364.415 3.323 20 0 FGADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)CC(c1ccccc1)c1ccccc1 ZINC000203161998 496973253 /nfs/dbraw/zinc/97/32/53/496973253.db2.gz DOHMHBDPVMREEC-UHFFFAOYSA-N 2 0 367.537 3.160 20 0 FGADRP C[C@H](CNC(=O)N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)[NH+]1CCC(C)CC1 ZINC000248395650 496994595 /nfs/dbraw/zinc/99/45/95/496994595.db2.gz GKNDEGKHVVRBOH-QYZOEREBSA-N 2 0 364.578 3.059 20 0 FGADRP C[NH+]1CCN(c2ncccc2C[NH2+][C@H]2CC[C@@H](Cc3ccccc3)C2)CC1 ZINC000189088734 497003932 /nfs/dbraw/zinc/00/39/32/497003932.db2.gz LNZABHFGLWEODH-UNMCSNQZSA-N 2 0 364.537 3.334 20 0 FGADRP C[N@@H+]1CCC[C@@H]2C[NH+](CCOc3cc(F)cc(Br)c3)CC[C@@H]21 ZINC000189115087 497012940 /nfs/dbraw/zinc/01/29/40/497012940.db2.gz HWSSMOXJIPXPKE-DYVFJYSZSA-N 2 0 371.294 3.383 20 0 FGADRP CC(=O)Nc1ccc([C@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000248460023 497019364 /nfs/dbraw/zinc/01/93/64/497019364.db2.gz WDEJDLNZLODMRA-KSFYIVLOSA-N 2 0 367.493 3.062 20 0 FGADRP Cc1ccc(S(=O)(=O)C[C@H](C)[NH2+]CCCC[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000248532633 497032618 /nfs/dbraw/zinc/03/26/18/497032618.db2.gz YPAAEZGVNNHKAC-MOPGFXCFSA-N 2 0 366.571 3.259 20 0 FGADRP Cc1cc(C)cc(OC[C@H](O)C[NH2+][C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000248554984 497038598 /nfs/dbraw/zinc/03/85/98/497038598.db2.gz HWUVNEYIOARJDN-SVFBPWRDSA-N 2 0 360.542 3.286 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(Cc2cccc(C(=O)N(C)C)c2)C1 ZINC000265064153 497040509 /nfs/dbraw/zinc/04/05/09/497040509.db2.gz NVRVHIKCYPUWBR-QUCCMNQESA-N 2 0 357.542 3.475 20 0 FGADRP C[C@@H](C(=O)Nc1ccccc1C(F)(F)F)[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000569222082 505882338 /nfs/dbraw/zinc/88/23/38/505882338.db2.gz LXVCPLOJPQYHNF-ZFWWWQNUSA-N 2 0 369.431 3.354 20 0 FGADRP CCN(CCC[NH+](C)C)C(=O)N[C@@H]1CCN(C)[C@H]1c1ccc(Cl)cc1 ZINC000248692180 497081154 /nfs/dbraw/zinc/08/11/54/497081154.db2.gz JPTCZYSPWOSGHW-MSOLQXFVSA-N 2 0 366.937 3.068 20 0 FGADRP CN(Cc1cc(Br)cc2c1OCC2)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000228494413 497095214 /nfs/dbraw/zinc/09/52/14/497095214.db2.gz JIJJNLACVTUOHS-XYPWUTKMSA-N 2 0 351.288 3.099 20 0 FGADRP CC1CC[NH+](C[C@H]2CCCN(C(=O)CC[C@H]([NH3+])c3ccccc3)C2)CC1 ZINC000236628347 497123704 /nfs/dbraw/zinc/12/37/04/497123704.db2.gz JBMPVUYEZJNQOD-CTNGQTDRSA-N 2 0 357.542 3.437 20 0 FGADRP CC(C)[C@H](CNC(=O)C[C@H](C)C1CC[NH2+]CC1)[N@@H+]1CCc2ccccc2C1 ZINC000236659966 497128956 /nfs/dbraw/zinc/12/89/56/497128956.db2.gz IVPUEAIWXOAGDM-AVRDEDQJSA-N 2 0 371.569 3.211 20 0 FGADRP CC1CC[NH+](Cc2ccc(CNC(=O)CC3C[C@H]4CC[C@@H](C3)[NH2+]4)cc2)CC1 ZINC000236721123 497137090 /nfs/dbraw/zinc/13/70/90/497137090.db2.gz MFMYOCLEPVEMMB-FRIKZZABSA-N 2 0 369.553 3.455 20 0 FGADRP CCC(CC)(CNC(=O)C[C@@H]1CSCC[NH2+]1)[NH2+][C@H](C)c1ccccc1 ZINC000236844719 497156219 /nfs/dbraw/zinc/15/62/19/497156219.db2.gz VEXLHFLRMZYRJK-SJLPKXTDSA-N 2 0 363.571 3.107 20 0 FGADRP CC[NH+](CC)CCOc1ccc(NC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)cc1 ZINC000236891878 497164067 /nfs/dbraw/zinc/16/40/67/497164067.db2.gz FQOYZKVAHCACBI-VDGAXYAQSA-N 2 0 359.514 3.266 20 0 FGADRP CC[NH+](CC)Cc1ccccc1CNC(=O)[C@@H]1[NH2+]CCc2ccccc21 ZINC000236908200 497166961 /nfs/dbraw/zinc/16/69/61/497166961.db2.gz BSMIIRKOBRRMOZ-OAQYLSRUSA-N 2 0 351.494 3.032 20 0 FGADRP C[NH+](C)Cc1cccc(C[NH2+]C[C@H](O)Cc2ccccc2C(F)(F)F)c1 ZINC000581006869 505889241 /nfs/dbraw/zinc/88/92/41/505889241.db2.gz TUWUSQJSAPQEQY-GOSISDBHSA-N 2 0 366.427 3.460 20 0 FGADRP C[NH+](C)CCn1ccc2ccc(NC(=O)CC3C[C@H]4CC[C@@H](C3)[NH2+]4)cc21 ZINC000237010281 497180007 /nfs/dbraw/zinc/18/00/07/497180007.db2.gz QKWUVUZWZVZVFA-ZNXRZULTSA-N 2 0 354.498 3.062 20 0 FGADRP CC(C)[NH+]1CCN(CCC[NH+]2CCC(OCCc3ccccc3)CC2)CC1 ZINC000192726979 497196943 /nfs/dbraw/zinc/19/69/43/497196943.db2.gz RZIBAEGRSNRBCG-UHFFFAOYSA-N 2 0 373.585 3.126 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N(C)CC1([NH+](C)C)CCC1)c1ccsc1 ZINC000189674229 497206733 /nfs/dbraw/zinc/20/67/33/497206733.db2.gz ADDIJZJONRFVLT-QGZVFWFLSA-N 2 0 366.575 3.257 20 0 FGADRP C[C@H]([NH2+]Cc1cccc(-n2cncn2)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274961378 497206948 /nfs/dbraw/zinc/20/69/48/497206948.db2.gz WSGGYQVNTZRKAU-GHTZIAJQSA-N 2 0 361.493 3.268 20 0 FGADRP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@H]1CCCCCC[C@@H]1[NH3+] ZINC000237233579 497207705 /nfs/dbraw/zinc/20/77/05/497207705.db2.gz IQTWHEHSEOHBKZ-HBMCJLEFSA-N 2 0 357.542 3.265 20 0 FGADRP C[NH2+]Cc1cccc(NC(=O)[C@@H]2CCC[N@H+](Cc3cccc(F)c3)C2)c1 ZINC000237270009 497213243 /nfs/dbraw/zinc/21/32/43/497213243.db2.gz JCOMTNAPTLXNCM-GOSISDBHSA-N 2 0 355.457 3.396 20 0 FGADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(C[NH+]3CCCCC3)cc2)[C@H](C)C1 ZINC000265946159 497214521 /nfs/dbraw/zinc/21/45/21/497214521.db2.gz JQMGSCIQJIHHTF-WIYYLYMNSA-N 2 0 357.542 3.475 20 0 FGADRP C[C@H](C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1)[C@@H]([NH3+])c1ccccc1 ZINC000237446400 497238031 /nfs/dbraw/zinc/23/80/31/497238031.db2.gz VSJBNBJQPBCWBE-CZTZKLFOSA-N 2 0 365.521 3.003 20 0 FGADRP CCO[C@@H]1C[C@](CO)([NH2+]C2CC[NH+]([C@@H]3CCC[C@@H](C)C3)CC2)C1(C)C ZINC000249767703 497245089 /nfs/dbraw/zinc/24/50/89/497245089.db2.gz ITOSWVYHMBIQKQ-XLBJILASSA-N 2 0 352.563 3.185 20 0 FGADRP C[C@H](C(=O)Nc1ccc2ccn(CC[NH+](C)C)c2c1)[C@@H]([NH3+])c1ccccc1 ZINC000237484945 497245151 /nfs/dbraw/zinc/24/51/51/497245151.db2.gz JTZLVVMEKALCMW-HRAATJIYSA-N 2 0 364.493 3.478 20 0 FGADRP c1ccc(C[N@H+]2CC[C@H](C[NH2+]C3CCN(Cc4cccnc4)CC3)C2)cc1 ZINC000192918297 497246581 /nfs/dbraw/zinc/24/65/81/497246581.db2.gz YYQJTXPLAIPUSP-JOCHJYFZSA-N 2 0 364.537 3.158 20 0 FGADRP C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000249770074 497246880 /nfs/dbraw/zinc/24/68/80/497246880.db2.gz KPVOKPCVMZSCFA-OALUTQOASA-N 2 0 372.557 3.202 20 0 FGADRP C[C@@H]1C[C@H](N(C)C(=O)NC[C@H](C2CC2)[NH+](C)Cc2ccccc2)CC[N@@H+]1C ZINC000251500252 497274532 /nfs/dbraw/zinc/27/45/32/497274532.db2.gz FGSITVSMPCCDDC-DUXKGJEZSA-N 2 0 372.557 3.021 20 0 FGADRP Cc1ccc(C[NH+]2CCC(CNC(=O)CCC3CC[NH2+]CC3)CC2)cc1 ZINC000237721666 497281974 /nfs/dbraw/zinc/28/19/74/497281974.db2.gz TZICXRPZAPPFLT-UHFFFAOYSA-N 2 0 357.542 3.103 20 0 FGADRP C[C@H](CNC(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1)C[NH+]1CCCC1 ZINC000252441523 497298883 /nfs/dbraw/zinc/29/88/83/497298883.db2.gz NHDDEAUYBFXYCZ-HSALFYBXSA-N 2 0 364.578 3.014 20 0 FGADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000266309792 497301392 /nfs/dbraw/zinc/30/13/92/497301392.db2.gz NWVMZJAPUPOZCU-FQEVSTJZSA-N 2 0 357.542 3.476 20 0 FGADRP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1[NH2+]C[C@H](O)Cc1ccccc1 ZINC000189954412 497305239 /nfs/dbraw/zinc/30/52/39/497305239.db2.gz KZKULHUHFXWAGW-CNNODRBYSA-N 2 0 352.522 3.336 20 0 FGADRP [NH3+][C@@H](CC(=O)NCc1ccccc1C[NH+]1CCCCC1)c1ccccc1 ZINC000237891503 497308140 /nfs/dbraw/zinc/30/81/40/497308140.db2.gz OTIVOPODTBMXLX-NRFANRHFSA-N 2 0 351.494 3.379 20 0 FGADRP O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000237897198 497310818 /nfs/dbraw/zinc/31/08/18/497310818.db2.gz NWUUMGTVTHWXLO-CTXDPNEZSA-N 2 0 373.566 3.137 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1CCNC(=O)N[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000252652478 497314883 /nfs/dbraw/zinc/31/48/83/497314883.db2.gz QQEYOFYHWJIZRU-SVFBPWRDSA-N 2 0 372.557 3.213 20 0 FGADRP [NH3+]Cc1ccc(C(=O)NCC2CC[NH+](Cc3ccccc3Cl)CC2)cc1 ZINC000237965307 497320459 /nfs/dbraw/zinc/32/04/59/497320459.db2.gz BJMSOIPQTCORKZ-UHFFFAOYSA-N 2 0 371.912 3.441 20 0 FGADRP [NH3+]C[C@@H](C(=O)NCc1cccc(C[NH+]2CCCCCC2)c1)c1ccccc1 ZINC000238032246 497330042 /nfs/dbraw/zinc/33/00/42/497330042.db2.gz WLOOVZBZHOVEFP-JOCHJYFZSA-N 2 0 365.521 3.421 20 0 FGADRP C[C@H](C(=O)Nc1nc(CN2CCCCC2)cs1)N1[C@H](C)CC[C@H]1C ZINC000245202527 497376755 /nfs/dbraw/zinc/37/67/55/497376755.db2.gz FILDGDQAOSCUOV-RBSFLKMASA-N 2 0 350.532 3.329 20 0 FGADRP COc1cccc2c1CC[C@H]([NH2+]Cc1ccncc1OCCC[NH+](C)C)C2 ZINC000578277629 505903112 /nfs/dbraw/zinc/90/31/12/505903112.db2.gz HVHPVMFQXKMPOU-IBGZPJMESA-N 2 0 369.509 3.068 20 0 FGADRP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)c1ccc(OC(F)F)cc1 ZINC000271564377 497384510 /nfs/dbraw/zinc/38/45/10/497384510.db2.gz XNWHUWVIQLWEAO-MORSLUCNSA-N 2 0 354.441 3.316 20 0 FGADRP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)c1cccc(Br)c1 ZINC000245418316 497395816 /nfs/dbraw/zinc/39/58/16/497395816.db2.gz AUHZBCNFQLSWCW-YOEHRIQHSA-N 2 0 355.320 3.337 20 0 FGADRP CCN(CCC[NH+]1CCCC1)C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000190199321 497395956 /nfs/dbraw/zinc/39/59/56/497395956.db2.gz RNYJDOQSEPYUMP-UHFFFAOYSA-N 2 0 364.578 3.301 20 0 FGADRP C[NH+](C)CCc1ccccc1NC(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C ZINC000275666437 497398534 /nfs/dbraw/zinc/39/85/34/497398534.db2.gz OMCPDPUUQRPYDW-HXUWFJFHSA-N 2 0 372.488 3.354 20 0 FGADRP C[C@@H](C(=O)Nc1ccc(OCc2ccccc2)cc1)N1CC[C@@](C)(C[NH3+])C1 ZINC000261636943 497425023 /nfs/dbraw/zinc/42/50/23/497425023.db2.gz FWQBAGMOTMCDDZ-JTSKRJEESA-N 2 0 367.493 3.263 20 0 FGADRP C[C@@]1(C[NH3+])CCN(Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)C1 ZINC000261701064 497436108 /nfs/dbraw/zinc/43/61/08/497436108.db2.gz IDNDQQDUXKXFDA-KRWDZBQOSA-N 2 0 352.404 3.121 20 0 FGADRP C[C@@]1(C[NH3+])CCN(Cc2ncc(-c3ccc(Br)cc3)o2)C1 ZINC000261726751 497441125 /nfs/dbraw/zinc/44/11/25/497441125.db2.gz JRNAXUVBULVFNW-INIZCTEOSA-N 2 0 350.260 3.275 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)CC[C@@H]1CC[NH2+]C1)c1ccccc1Cl ZINC000261788477 497452123 /nfs/dbraw/zinc/45/21/23/497452123.db2.gz KDKDTHPTMXKRFB-QAPCUYQASA-N 2 0 351.922 3.229 20 0 FGADRP CCC[N@@H+]1CC[C@@H](C[NH2+]CCC(=O)Nc2ccc(Br)cc2)C1 ZINC000569332447 505909453 /nfs/dbraw/zinc/90/94/53/505909453.db2.gz ROIAUMWXBORHCI-AWEZNQCLSA-N 2 0 368.319 3.099 20 0 FGADRP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)[C@H]3CC34CC[NH2+]CC4)cc2)C1 ZINC000261965220 497484100 /nfs/dbraw/zinc/48/41/00/497484100.db2.gz SQSQOZJCTPZOJQ-DBXWQHBBSA-N 2 0 369.553 3.170 20 0 FGADRP C[C@H]([NH3+])C1CC[NH+](Cc2nc(-c3cccc(Br)c3)no2)CC1 ZINC000261969949 497485096 /nfs/dbraw/zinc/48/50/96/497485096.db2.gz PXPSDERITWONTB-NSHDSACASA-N 2 0 365.275 3.058 20 0 FGADRP C[C@H](CCc1ccc(I)cc1)[NH2+]CC1CC[NH2+]CC1 ZINC000569349486 505914122 /nfs/dbraw/zinc/91/41/22/505914122.db2.gz BGKXNZDURQFAMP-CYBMUJFWSA-N 2 0 372.294 3.202 20 0 FGADRP Cc1nn(C)c(C)c1CC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000245666858 497494151 /nfs/dbraw/zinc/49/41/51/497494151.db2.gz GTIHSRJLZIYHEP-MZADTFQBSA-N 2 0 352.526 3.365 20 0 FGADRP CC(C)[NH2+]C1CCN(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000267312983 497523883 /nfs/dbraw/zinc/52/38/83/497523883.db2.gz CFADBXQOUBJCIP-RXVVDRJESA-N 2 0 372.557 3.069 20 0 FGADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H]1CCc2ccc(Br)cc21 ZINC000194004984 497545920 /nfs/dbraw/zinc/54/59/20/497545920.db2.gz YQFIDQVRQOSRNA-RDTXWAMCSA-N 2 0 366.347 3.052 20 0 FGADRP COc1ccc([C@H](O)C[NH2+][C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000272223087 497570181 /nfs/dbraw/zinc/57/01/81/497570181.db2.gz AJHHZQPOIQGWAD-UCNVEGJOSA-N 2 0 354.494 3.229 20 0 FGADRP CC[NH+]1CCN([C@H]2CC[N@@H+]([C@H](C)c3ccc(C(F)(F)F)cc3)C2)CC1 ZINC000245941391 497580047 /nfs/dbraw/zinc/58/00/47/497580047.db2.gz VDAKJPOWLBTDIF-QAPCUYQASA-N 2 0 355.448 3.478 20 0 FGADRP O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)c1ccc2c(c1)CC[NH2+]CC2 ZINC000276465797 497581299 /nfs/dbraw/zinc/58/12/99/497581299.db2.gz AWXWDKNVQQJILT-LJQANCHMSA-N 2 0 369.534 3.003 20 0 FGADRP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)COc2ccc(-c3ccccc3)cc2)CC[N@@H+]1C ZINC000581126892 505916057 /nfs/dbraw/zinc/91/60/57/505916057.db2.gz FICFYIWAAPHXKR-DUXKGJEZSA-N 2 0 354.494 3.166 20 0 FGADRP O=C(NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000262665401 497594177 /nfs/dbraw/zinc/59/41/77/497594177.db2.gz JJGKGOVOHFWPNB-GLEIMRJVSA-N 2 0 367.537 3.219 20 0 FGADRP Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)CC3 ZINC000246039032 497602107 /nfs/dbraw/zinc/60/21/07/497602107.db2.gz WXPVVILVVYSQPA-ROUUACIJSA-N 2 0 355.526 3.160 20 0 FGADRP CC[C@H]([NH2+]C1CCN([C@@H](C)c2ccncc2)CC1)C1(C(=O)OC)CCC1 ZINC000272447214 497630911 /nfs/dbraw/zinc/63/09/11/497630911.db2.gz FPFCTQYXFNFSKT-LPHOPBHVSA-N 2 0 359.514 3.319 20 0 FGADRP C[NH+](C)CCOc1ccc(C[NH2+]Cc2ccnn2-c2ccc(F)cc2)cc1 ZINC000280092504 497646789 /nfs/dbraw/zinc/64/67/89/497646789.db2.gz ZFUIUKJWXISLND-UHFFFAOYSA-N 2 0 368.456 3.242 20 0 FGADRP CCC[N@H+](C)C[C@@H]1CCN([C@H](C)C(=O)N(Cc2ccccc2)C(C)C)C1 ZINC000246195643 497656285 /nfs/dbraw/zinc/65/62/85/497656285.db2.gz MAWSAFXEJRYYBM-CTNGQTDRSA-N 2 0 359.558 3.476 20 0 FGADRP Cc1cccc(NC[C@@H]2CC[N@@H+]([C@H](C)C(=O)N[C@H]3CCCC[C@@H]3C)C2)[nH+]1 ZINC000246205858 497660461 /nfs/dbraw/zinc/66/04/61/497660461.db2.gz YJULRJAQAYRRLK-NQYYFHDYSA-N 2 0 358.530 3.207 20 0 FGADRP COc1cccc([C@H](O)C[NH2+][C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000272557306 497661937 /nfs/dbraw/zinc/66/19/37/497661937.db2.gz TZLBUWSBPRRTBG-UCNVEGJOSA-N 2 0 354.494 3.229 20 0 FGADRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)C[C@@H]([NH3+])c1ccccc1 ZINC000262943361 497662354 /nfs/dbraw/zinc/66/23/54/497662354.db2.gz USAOTGXEFJXCNB-JHBZICRXSA-N 2 0 365.521 3.349 20 0 FGADRP C[C@H](NC(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000272565373 497664247 /nfs/dbraw/zinc/66/42/47/497664247.db2.gz SNNPKMUFTSHWDT-KOUHRCEDSA-N 2 0 372.557 3.021 20 0 FGADRP Cc1ccc([C@H](CNC(=O)N2CCC(C[NH+]3CCCC3)CC2)[NH+](C)C)cc1 ZINC000194470661 497677208 /nfs/dbraw/zinc/67/72/08/497677208.db2.gz HWTYPHWPBYPBCD-NRFANRHFSA-N 2 0 372.557 3.115 20 0 FGADRP C[NH+](C)CCOc1ccc(NC(=O)[C@@H]2CCCC[C@@]2(C)[NH3+])cc1Cl ZINC000263052673 497692099 /nfs/dbraw/zinc/69/20/99/497692099.db2.gz USGMWQBXBAMVBX-KBXCAEBGSA-N 2 0 353.894 3.127 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NCCCC[NH+]2CCCC[C@H]2C)[C@H](C)C1 ZINC000246313020 497692354 /nfs/dbraw/zinc/69/23/54/497692354.db2.gz BMJHUNASDHWWHL-QRVBRYPASA-N 2 0 352.567 3.013 20 0 FGADRP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)C1 ZINC000246346509 497703938 /nfs/dbraw/zinc/70/39/38/497703938.db2.gz FGBVLTZPOCIWOJ-VQTJNVASSA-N 2 0 364.578 3.014 20 0 FGADRP CC[NH+](CC)[C@H](C)CNC(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000246384005 497716209 /nfs/dbraw/zinc/71/62/09/497716209.db2.gz NDKVJMMQIDJWSP-GUDVDZBRSA-N 2 0 352.567 3.013 20 0 FGADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@H]2CCN(Cc3ccccn3)C[C@@H]2C)C1 ZINC000246444655 497736195 /nfs/dbraw/zinc/73/61/95/497736195.db2.gz OUAQAIAZYQUKQE-VWPQPMDRSA-N 2 0 358.574 3.250 20 0 FGADRP C[C@H](C(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1)[C@@H]([NH3+])c1ccccc1 ZINC000263258963 497743825 /nfs/dbraw/zinc/74/38/25/497743825.db2.gz LUHCOIYBMZMBER-RCLSDMTESA-N 2 0 357.542 3.436 20 0 FGADRP C[C@@H](C(=O)NCc1ccc(Cl)cc1)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000194733534 497752709 /nfs/dbraw/zinc/75/27/09/497752709.db2.gz GDZMCNANEFTNTO-INIZCTEOSA-N 2 0 363.933 3.153 20 0 FGADRP C[C@H]1CCN(C(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[N@@H+]1Cc1ccccc1 ZINC000246495810 497753475 /nfs/dbraw/zinc/75/34/75/497753475.db2.gz PQFGZESOPIBGFN-XSLAUPDRSA-N 2 0 355.526 3.030 20 0 FGADRP COc1cc(C)c([C@H](C)[NH2+]Cc2ccc(N3CC[NH+](C)CC3)nc2)cc1C ZINC000273171424 497806324 /nfs/dbraw/zinc/80/63/24/497806324.db2.gz MMNWYUIOIVYFSP-SFHVURJKSA-N 2 0 368.525 3.310 20 0 FGADRP C[C@@H]([NH2+]CCCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000246891081 497818982 /nfs/dbraw/zinc/81/89/82/497818982.db2.gz FKLDNRZFWAAQOM-KZNAEPCWSA-N 2 0 366.571 3.499 20 0 FGADRP CC[N@@H+]1CC[C@H]([NH2+][C@H]2CCN(c3cc(Cl)ccc3OC)C2)[C@H](C)C1 ZINC000246890795 497819007 /nfs/dbraw/zinc/81/90/07/497819007.db2.gz DSLCRAKKAWISNO-PVAVHDDUSA-N 2 0 351.922 3.247 20 0 FGADRP C[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CCCc4nc(Cl)ccc43)cn2)CC1 ZINC000295839290 497825853 /nfs/dbraw/zinc/82/58/53/497825853.db2.gz FOBCVOGTLVESCA-QGZVFWFLSA-N 2 0 371.916 3.049 20 0 FGADRP C[C@@H](C(=O)N(C)CCC1CC[NH+](C2CCN(C)CC2)CC1)C(C)(C)C ZINC000364185680 497828559 /nfs/dbraw/zinc/82/85/59/497828559.db2.gz UMDISSTXAZIFJG-KRWDZBQOSA-N 2 0 351.579 3.323 20 0 FGADRP CC(C)Cc1ncc(CNCc2ccncc2OCCC[NH+](C)C)s1 ZINC000288609931 497845290 /nfs/dbraw/zinc/84/52/90/497845290.db2.gz QLUMNZICRVREGF-UHFFFAOYSA-N 2 0 362.543 3.357 20 0 FGADRP C[NH+](C)CCCOc1cnccc1C[NH2+]Cc1ccc(OC(F)F)cc1 ZINC000288666965 497862006 /nfs/dbraw/zinc/86/20/06/497862006.db2.gz WFDJMWQOJUBDFV-UHFFFAOYSA-N 2 0 365.424 3.303 20 0 FGADRP O[C@@H]1CC[N@H+](Cc2ccccc2CNC2CC[NH+](C3CCCCC3)CC2)C1 ZINC000578462522 505945460 /nfs/dbraw/zinc/94/54/60/505945460.db2.gz PJJUUFARCUZQNX-HSZRJFAPSA-N 2 0 371.569 3.140 20 0 FGADRP [NH2+]=C(NC[C@H]1CCC[N@H+](Cc2cccnc2)C1)Nc1ccc2c(c1)CCC2 ZINC000364384715 497931819 /nfs/dbraw/zinc/93/18/19/497931819.db2.gz NDHPGFOKXLJQBK-GOSISDBHSA-N 2 0 363.509 3.419 20 0 FGADRP COCCC[NH+]1CCC([NH2+][C@H](C)[C@H](C)c2ccc(OC)c(OC)c2)CC1 ZINC000280875012 497932273 /nfs/dbraw/zinc/93/22/73/497932273.db2.gz MUYSGFRWODPZMH-DLBZAZTESA-N 2 0 364.530 3.286 20 0 FGADRP C[NH+]1CCN(c2ccc(CNc3cc[nH+]c4cc(F)ccc34)cn2)CC1 ZINC000301272194 498031947 /nfs/dbraw/zinc/03/19/47/498031947.db2.gz NYFQDZXDXLTYJZ-UHFFFAOYSA-N 2 0 351.429 3.133 20 0 FGADRP CCC[N@H+](CC)C[C@H](C)NC(=O)N(C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000581362807 505970775 /nfs/dbraw/zinc/97/07/75/505970775.db2.gz IIDNPBPUOOJAHD-FPOVZHCZSA-N 2 0 374.573 3.270 20 0 FGADRP C[NH+](C)Cc1ccc(C(=O)NC[C@H]2CC[N@H+](C)[C@@H]2c2cccs2)cc1 ZINC000364618872 498052915 /nfs/dbraw/zinc/05/29/15/498052915.db2.gz AYOKRAGCTAETBS-MJGOQNOKSA-N 2 0 357.523 3.233 20 0 FGADRP Cc1cc(=O)oc2cc(OCC[N@@H+](C)C3C[C@H]4CC[C@@H](C3)[NH+]4C)ccc12 ZINC000285453486 498090794 /nfs/dbraw/zinc/09/07/94/498090794.db2.gz JGBJMVQATKERET-SJPCQFCGSA-N 2 0 356.466 3.037 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1cnc(-c2ccccn2)s1 ZINC000569626101 505978986 /nfs/dbraw/zinc/97/89/86/505978986.db2.gz VWKBIYDEHFWHDA-QGZVFWFLSA-N 2 0 373.570 3.053 20 0 FGADRP Cc1ccncc1CCC[NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000289323135 498105138 /nfs/dbraw/zinc/10/51/38/498105138.db2.gz TZVCOLDMXPZBQK-UHFFFAOYSA-N 2 0 353.510 3.069 20 0 FGADRP CC1CC[NH+](Cc2cccc(CNC(=O)NC[C@@]3(C)CCC[NH2+]C3)c2)CC1 ZINC000581418775 505984556 /nfs/dbraw/zinc/98/45/56/505984556.db2.gz XGKZANRCIMPCCL-QFIPXVFZSA-N 2 0 372.557 3.107 20 0 FGADRP CCC[NH+](CCC)CCCC(=O)N[C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000364772792 498136584 /nfs/dbraw/zinc/13/65/84/498136584.db2.gz OWNLDNZMKNURDJ-TZIWHRDSSA-N 2 0 374.573 3.310 20 0 FGADRP C[N@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(C(=O)C(C)(C)C[NH3+])CC1 ZINC000581427618 505986791 /nfs/dbraw/zinc/98/67/91/505986791.db2.gz BQGXAFNXEMVNJK-UHFFFAOYSA-N 2 0 371.447 3.113 20 0 FGADRP CCOC(=O)c1csc(CN[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)n1 ZINC000292912851 498194481 /nfs/dbraw/zinc/19/44/81/498194481.db2.gz KXYXWWBXANUGEH-WBVHZDCISA-N 2 0 373.522 3.320 20 0 FGADRP CC1(NC(=O)NCc2ccccc2C[NH+]2CCCCCC2)CC[NH2+]CC1 ZINC000569695061 505995062 /nfs/dbraw/zinc/99/50/62/505995062.db2.gz BAOHGSHDJFSEGM-UHFFFAOYSA-N 2 0 358.530 3.004 20 0 FGADRP OC[C@H]1CCC[N@@H+]1CCCC[NH2+]Cc1ccc(Sc2ccccn2)o1 ZINC000292968923 498217191 /nfs/dbraw/zinc/21/71/91/498217191.db2.gz LALIUYDDLGGEEO-MRXNPFEDSA-N 2 0 361.511 3.152 20 0 FGADRP CCc1cc(N2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)c2ccccc2[nH+]1 ZINC000301776344 498259403 /nfs/dbraw/zinc/25/94/03/498259403.db2.gz GROXYIAKKIPHEZ-IBGZPJMESA-N 2 0 352.526 3.404 20 0 FGADRP C[C@H]1C[C@@H](N[C@@H](CC(N)=O)c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000293169962 498292559 /nfs/dbraw/zinc/29/25/59/498292559.db2.gz WCQLQFOQHRCSFT-YYWHXJBOSA-N 2 0 351.494 3.246 20 0 FGADRP CN(C(=O)Nc1cccc(C[NH+](C)C)c1)C1CCN(c2cc[nH+]cc2)CC1 ZINC000365121708 498306209 /nfs/dbraw/zinc/30/62/09/498306209.db2.gz SIVUGXVYOIKTKP-UHFFFAOYSA-N 2 0 367.497 3.276 20 0 FGADRP CCC[NH+]1CCC(C[NH2+]C[C@H](O)CO[C@H]2CCCc3ccccc32)CC1 ZINC000578758888 506015041 /nfs/dbraw/zinc/01/50/41/506015041.db2.gz DFKVZOSUELVTAV-UNMCSNQZSA-N 2 0 360.542 3.153 20 0 FGADRP Cc1cccc2[nH]cc(CC[NH2+][C@@H]3CC[N@@H+](C[C@@H]4CCCO4)C[C@H]3C)c21 ZINC000360873455 498319285 /nfs/dbraw/zinc/31/92/85/498319285.db2.gz WWOKOWVKEWNHLI-YZGWKJHDSA-N 2 0 355.526 3.498 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1CCC(=O)NCc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000569834780 506027845 /nfs/dbraw/zinc/02/78/45/506027845.db2.gz PYLDNHKHVUXSDE-GOSISDBHSA-N 2 0 373.541 3.040 20 0 FGADRP COc1ccc([C@@H]2CCCC[C@H]2[NH2+][C@@H](C)CN2CC[NH+](C)CC2)cc1F ZINC000361245270 498365197 /nfs/dbraw/zinc/36/51/97/498365197.db2.gz FDECPGYBXNPOPU-XKGZKEIXSA-N 2 0 363.521 3.086 20 0 FGADRP C[C@H](NC(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1)[C@@H]1CCC[NH2+]C1 ZINC000581596977 506024080 /nfs/dbraw/zinc/02/40/80/506024080.db2.gz RJQJTUNFRGRVSV-CEXWTWQISA-N 2 0 372.557 3.106 20 0 FGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H](CCCOC)c2ccc(F)cc2)CC1 ZINC000282098024 498383216 /nfs/dbraw/zinc/38/32/16/498383216.db2.gz ZCXQFKGWLDPGLQ-WIYYLYMNSA-N 2 0 365.537 3.157 20 0 FGADRP C[C@H]([NH2+]Cc1ccc2c(c1)NC(=O)CO2)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000293530248 498404606 /nfs/dbraw/zinc/40/46/06/498404606.db2.gz DTZVPERNIXHUGN-LPHOPBHVSA-N 2 0 365.477 3.018 20 0 FGADRP COCCC[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccc(F)cc1 ZINC000282156166 498405399 /nfs/dbraw/zinc/40/53/99/498405399.db2.gz DBQYATSLJYHJPL-UWJYYQICSA-N 2 0 364.505 3.384 20 0 FGADRP C[C@H](Cc1c[nH]cn1)C(=O)Nc1ccnc(N2CCc3ccccc3C2)c1 ZINC000581617340 506029392 /nfs/dbraw/zinc/02/93/92/506029392.db2.gz PJNJCPGVVIJBDK-OAHLLOKOSA-N 2 0 361.449 3.185 20 0 FGADRP C[C@H]([NH2+][C@@H]1CC(=O)N(C2CCCCC2)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000581634128 506032595 /nfs/dbraw/zinc/03/25/95/506032595.db2.gz AMGOQHXWQLFTHG-SESVDKBCSA-N 2 0 369.553 3.420 20 0 FGADRP Cc1cc([C@@H](C)[NH2+]C[C@H](C)N2CC[NH+](C)CC2)sc1Br ZINC000286562323 498436213 /nfs/dbraw/zinc/43/62/13/498436213.db2.gz PCOFQYVXSQCANV-QWHCGFSZSA-N 2 0 360.365 3.106 20 0 FGADRP C[C@H]([NH2+]Cc1ccncc1OCCC[NH+](C)C)c1ccc2c(c1)OCCO2 ZINC000290187894 498456644 /nfs/dbraw/zinc/45/66/44/498456644.db2.gz FTFBSRGDCSRAED-INIZCTEOSA-N 2 0 371.481 3.034 20 0 FGADRP CN(CCC[N@H+](C)Cc1ccco1)C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000286627235 498457496 /nfs/dbraw/zinc/45/74/96/498457496.db2.gz VIVNQIBEPZHPCA-UHFFFAOYSA-N 2 0 372.513 3.005 20 0 FGADRP Nc1nccc([C@H]2CCC[N@H+](Cc3ccc(C[NH+]4CCCCC4)cc3)C2)n1 ZINC000578856269 506037393 /nfs/dbraw/zinc/03/73/93/506037393.db2.gz NHPHEVDXODYHDW-FQEVSTJZSA-N 2 0 365.525 3.255 20 0 FGADRP CSc1ccc(C[NH2+]CC2CC[NH+](CC(=O)NC(C)(C)C)CC2)s1 ZINC000569892343 506039832 /nfs/dbraw/zinc/03/98/32/506039832.db2.gz ZUXREYRRYKOKBW-UHFFFAOYSA-N 2 0 369.600 3.186 20 0 FGADRP O=C1O[C@H](C[NH+]2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)CC12CC2 ZINC000365463230 498479568 /nfs/dbraw/zinc/47/95/68/498479568.db2.gz LONYJJIGQGEWRJ-IBGZPJMESA-N 2 0 354.494 3.070 20 0 FGADRP Cn1cc(-c2ccc(C[NH2+]C3CC[NH+]([C@H]4CCCC[C@@H]4O)CC3)s2)cn1 ZINC000282359671 498479934 /nfs/dbraw/zinc/47/99/34/498479934.db2.gz XINMYBYQIWKGIZ-OALUTQOASA-N 2 0 374.554 3.006 20 0 FGADRP Cc1oc(-c2cccs2)nc1CN1CCC[C@@H](C[NH+]2CCN(C)CC2)C1 ZINC000362254644 498481889 /nfs/dbraw/zinc/48/18/89/498481889.db2.gz HTALOVIJYCRDRX-KRWDZBQOSA-N 2 0 374.554 3.171 20 0 FGADRP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCC[C@@H](N2CCOCC2)CC1 ZINC000581677946 506042948 /nfs/dbraw/zinc/04/29/48/506042948.db2.gz UUVNJBXSFSYHGQ-JOCHJYFZSA-N 2 0 373.585 3.331 20 0 FGADRP NC(=O)[C@@H](N[C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)c1ccc(F)cc1 ZINC000569926439 506049050 /nfs/dbraw/zinc/04/90/50/506049050.db2.gz HBKFKKWKCYYPOA-PMACEKPBSA-N 2 0 367.468 3.139 20 0 FGADRP CCC[N@H+](CC)Cc1ccc(C(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)cc1 ZINC000290394264 498536339 /nfs/dbraw/zinc/53/63/39/498536339.db2.gz LMLXZEUNXPQSAS-NRFANRHFSA-N 2 0 357.542 3.380 20 0 FGADRP C[C@@H]1CN(c2ccccc2C[NH2+]Cc2cccc(C[NH+](C)C)c2)CCO1 ZINC000297714329 498545877 /nfs/dbraw/zinc/54/58/77/498545877.db2.gz RGPJOCHDKYIOPS-GOSISDBHSA-N 2 0 353.510 3.263 20 0 FGADRP COc1cc(CN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)ccc1OCc1ccncc1 ZINC000362999463 498596675 /nfs/dbraw/zinc/59/66/75/498596675.db2.gz FKJORHXWGNQVFG-WOJBJXKFSA-N 2 0 367.493 3.386 20 0 FGADRP Cn1ccnc1[C@@H]1N(C(=O)Nc2ccccc2CC[NH+](C)C)CC1(C)C ZINC000297936411 498614607 /nfs/dbraw/zinc/61/46/07/498614607.db2.gz VZIJJAWHJSTYBI-KRWDZBQOSA-N 2 0 355.486 3.139 20 0 FGADRP C[C@H](CNC(=O)NCCCC[N@@H+]1CCCC[C@@H]1C)[NH+]1CCC(C)CC1 ZINC000302959685 498634191 /nfs/dbraw/zinc/63/41/91/498634191.db2.gz FUVKUXWZVYJIGW-RBUKOAKNSA-N 2 0 352.567 3.061 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)C[C@H]1CCCC[C@@H]1[NH3+])c1cccc(OC)c1 ZINC000581819165 506067744 /nfs/dbraw/zinc/06/77/44/506067744.db2.gz GYYDUJHCOVSSIN-LSTHTHJFSA-N 2 0 361.530 3.102 20 0 FGADRP C[NH+](C)Cc1ccccc1C(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000365858092 498674173 /nfs/dbraw/zinc/67/41/73/498674173.db2.gz BMWUXBLTDDIKSV-LJQANCHMSA-N 2 0 357.542 3.476 20 0 FGADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000303505553 498683327 /nfs/dbraw/zinc/68/33/27/498683327.db2.gz AZOJUXMUPBCFNU-NHCUHLMSSA-N 2 0 372.557 3.387 20 0 FGADRP CCOC(=O)[C@@](C)(C[NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1ccccc1 ZINC000298181535 498688034 /nfs/dbraw/zinc/68/80/34/498688034.db2.gz VNYMXHJLGSKIIK-QFIPXVFZSA-N 2 0 367.493 3.161 20 0 FGADRP Cn1cc([C@@H]2[C@@H](C[NH2+]Cc3cnc(C(C)(C)C)s3)CCCN2C)cn1 ZINC000363177634 498689078 /nfs/dbraw/zinc/68/90/78/498689078.db2.gz WNEFZMUCAZGTRB-PBHICJAKSA-N 2 0 361.559 3.347 20 0 FGADRP CC1CC[NH+](CCc2cccc(NC(=O)N[C@H]3CC[C@@H](C[NH3+])C3)c2)CC1 ZINC000570061822 506081487 /nfs/dbraw/zinc/08/14/87/506081487.db2.gz JANIABFNAZQVOW-QUCCMNQESA-N 2 0 358.530 3.210 20 0 FGADRP Cc1cccc(C)c1OC[C@H](O)C[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000312690824 498760914 /nfs/dbraw/zinc/76/09/14/498760914.db2.gz QJWWSXHKXVYCDD-FGZHOGPDSA-N 2 0 368.521 3.155 20 0 FGADRP COc1cccc([C@H](C[NH2+]C2CCN(CCC(F)(F)F)CC2)N(C)C)c1 ZINC000291023677 498761077 /nfs/dbraw/zinc/76/10/77/498761077.db2.gz CXFYSVRWVJAXEX-SFHVURJKSA-N 2 0 373.463 3.304 20 0 FGADRP C[C@H](OC[C@H](O)C[NH2+]C[C@H]1CCCn2ccnc21)c1ccc(Cl)cc1 ZINC000570082196 506086190 /nfs/dbraw/zinc/08/61/90/506086190.db2.gz UHXGBLIRVKXQFC-YXJHDRRASA-N 2 0 363.889 3.142 20 0 FGADRP COc1ccc(Cl)cc1C1(C[NH2+][C@H](C)[C@H]2CCC[NH2+]C2)CCOCC1 ZINC000576146619 506087345 /nfs/dbraw/zinc/08/73/45/506087345.db2.gz XRFUMKMSCKBVMW-CVEARBPZSA-N 2 0 366.933 3.375 20 0 FGADRP C[C@@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+][C@@H]1CCO[C@@H](c2cccnc2)C1 ZINC000294732172 498787278 /nfs/dbraw/zinc/78/72/78/498787278.db2.gz DJILPNPNEPGILJ-HLRQEUIKSA-N 2 0 351.494 3.412 20 0 FGADRP C[NH+](C)CCOc1ccc(C[NH2+]C2CCN(CCC(F)(F)F)CC2)cc1 ZINC000291109039 498798617 /nfs/dbraw/zinc/79/86/17/498798617.db2.gz KFNOMAXVOFCJCQ-UHFFFAOYSA-N 2 0 373.463 3.133 20 0 FGADRP O=C(Nc1ccc2c(c1)C[NH2+]CCO2)C1CC[NH+](Cc2ccccc2)CC1 ZINC000291152624 498818085 /nfs/dbraw/zinc/81/80/85/498818085.db2.gz YZRVPVJOIMRNOU-UHFFFAOYSA-N 2 0 365.477 3.019 20 0 FGADRP CO[C@@H](CN1CCN(C[C@H]2CCCC[N@@H+]2C)CC1)c1ccc(Cl)cc1 ZINC000283221824 498822232 /nfs/dbraw/zinc/82/22/32/498822232.db2.gz SUOUCBHHSVEHSU-UXHICEINSA-N 2 0 365.949 3.129 20 0 FGADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H]1CCS(=O)(=O)c2ccc(F)cc21 ZINC000324936324 498832627 /nfs/dbraw/zinc/83/26/27/498832627.db2.gz YZPVOVASBRWFEN-YOEHRIQHSA-N 2 0 356.507 3.144 20 0 FGADRP CCOc1cc(C[NH+]2CCC(OCCC[NH3+])CC2)ccc1OC(F)F ZINC000327178619 498853053 /nfs/dbraw/zinc/85/30/53/498853053.db2.gz VEJNEULZFODHLJ-UHFFFAOYSA-N 2 0 358.429 3.017 20 0 FGADRP CC[C@H]([NH2+]Cc1c(C)nn(C)c1N1CCC[N@H+](C)CC1)c1ccc(F)cc1 ZINC000366294351 498861279 /nfs/dbraw/zinc/86/12/79/498861279.db2.gz CKTBQNYLUZPVMM-FQEVSTJZSA-N 2 0 373.520 3.250 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+])Cc1ccccc1 ZINC000570158010 506103785 /nfs/dbraw/zinc/10/37/85/506103785.db2.gz ISJUEILAFIELCZ-HKHIRDCPSA-N 2 0 371.569 3.209 20 0 FGADRP C[NH+](Cc1cc(Cl)cc(C[N@H+](C)C[C@@H]2CCOC2)c1)C[C@@H]1CCOC1 ZINC000295046568 498891439 /nfs/dbraw/zinc/89/14/39/498891439.db2.gz OHMYHZSZQVYUAL-IRXDYDNUSA-N 2 0 366.933 3.277 20 0 FGADRP O=C(Nc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)cc1)c1ccncc1 ZINC000581997017 506109243 /nfs/dbraw/zinc/10/92/43/506109243.db2.gz DBYMVKDNSCLAPU-PCCBWWKXSA-N 2 0 364.493 3.344 20 0 FGADRP C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000295141394 498924332 /nfs/dbraw/zinc/92/43/32/498924332.db2.gz ZUNZHBFAVKLCEF-FMJMRLDVSA-N 2 0 363.933 3.292 20 0 FGADRP C[C@H]1CCC[N@@H+]1C1CCN(C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)CC1 ZINC000366513328 498960114 /nfs/dbraw/zinc/96/01/14/498960114.db2.gz LZASYROCXPNXKW-PKOBYXMFSA-N 2 0 374.529 3.075 20 0 FGADRP C[C@@H](NC(=O)N1CCC(CC[NH+](C)C)CC1)[C@H](c1ccccc1)[NH+](C)C ZINC000288188216 498964135 /nfs/dbraw/zinc/96/41/35/498964135.db2.gz PXFRACJNOKSGFN-YLJYHZDGSA-N 2 0 360.546 3.051 20 0 FGADRP Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@@H]2[NH2+]C[C@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000579221258 506122488 /nfs/dbraw/zinc/12/24/88/506122488.db2.gz UDHMGEJQCWICHF-KVPLUYHFSA-N 2 0 364.555 3.187 20 0 FGADRP CC(C)(C)OC(=O)N1CC[C@H]([NH2+]Cc2cnc[nH]2)[C@H](c2ccccc2)C1 ZINC000366593802 498993558 /nfs/dbraw/zinc/99/35/58/498993558.db2.gz JLKUOHZITYBOPA-ROUUACIJSA-N 2 0 356.470 3.293 20 0 FGADRP Cc1cccc2c1[nH+]cc(C)c2N1CCC[C@H](C[NH+]2CCN(C)CC2)C1 ZINC000363804645 499001073 /nfs/dbraw/zinc/00/10/73/499001073.db2.gz NLYFUDUQTLSVEC-LJQANCHMSA-N 2 0 352.526 3.315 20 0 FGADRP COC(=O)C[C@@H]1CC[C@H]([NH2+]Cc2ccc(OC3CC[NH+](C)CC3)cc2)[C@@H]1C ZINC000283862812 499001928 /nfs/dbraw/zinc/00/19/28/499001928.db2.gz GJWYRJVJCZKSPA-MMOPVJDHSA-N 2 0 374.525 3.227 20 0 FGADRP C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@H]1[NH2+]CCCOCCc1ccccc1 ZINC000363814247 499007050 /nfs/dbraw/zinc/00/70/50/499007050.db2.gz FDQMZXLPEATLIX-CEMLEFRQSA-N 2 0 360.542 3.115 20 0 FGADRP Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)c1ccc2c[nH+]cn2c1 ZINC000283923429 499013677 /nfs/dbraw/zinc/01/36/77/499013677.db2.gz LVRGNSKKQHTUDW-UHFFFAOYSA-N 2 0 366.490 3.444 20 0 FGADRP CC(C)[C@@H](CNC(=O)N1C[C@@H]([NH+]2CCCC2)C[C@H]1C)[NH+]1CCC(C)CC1 ZINC000582079882 506128716 /nfs/dbraw/zinc/12/87/16/506128716.db2.gz DDBGCBFPBCGYAN-HSALFYBXSA-N 2 0 364.578 3.011 20 0 FGADRP COc1ccc(C[NH2+]Cc2ccc(OC3CC[NH+](C)CC3)cc2)c(OC)c1 ZINC000284180565 499064673 /nfs/dbraw/zinc/06/46/73/499064673.db2.gz XNTIEHBBNVXIKY-UHFFFAOYSA-N 2 0 370.493 3.467 20 0 FGADRP Cc1ccc(NC(=O)NC2CC([NH+]3CCCCC3)C2)c(OCC[NH+](C)C)c1 ZINC000366784722 499073061 /nfs/dbraw/zinc/07/30/61/499073061.db2.gz DXBGFNFSRSZJQI-UHFFFAOYSA-N 2 0 374.529 3.074 20 0 FGADRP CC(C)(C)c1ncc(C[NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)cn1 ZINC000284248241 499075782 /nfs/dbraw/zinc/07/57/82/499075782.db2.gz FJUBNQSOFXFHJF-UHFFFAOYSA-N 2 0 368.525 3.021 20 0 FGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@@H](C)[C@H]2C[C@@H]2c2ccc(OC)cc2)CC1 ZINC000284463605 499111468 /nfs/dbraw/zinc/11/14/68/499111468.db2.gz TZQKWWVBLCIAKF-MOXQZVSFSA-N 2 0 359.558 3.050 20 0 FGADRP CC(C)Oc1ccc([C@H](C)[NH2+]CCCN2CC[NH+](C)CC2)cc1Cl ZINC000284503890 499117255 /nfs/dbraw/zinc/11/72/55/499117255.db2.gz VTJHFLULKOUUTA-INIZCTEOSA-N 2 0 353.938 3.415 20 0 FGADRP c1cc(C[N@@H+]2CCC[C@]23CCOC3)ccc1C[NH+]1CCC[C@]12CCOC2 ZINC000366941232 499119891 /nfs/dbraw/zinc/11/98/91/499119891.db2.gz AMBQUGUGSBPGQG-FGZHOGPDSA-N 2 0 356.510 3.196 20 0 FGADRP Cc1cn2c(n1)[C@H](C[NH2+][C@@H](CCn1cncn1)c1ccc(C)cc1)CCC2 ZINC000364159718 499125977 /nfs/dbraw/zinc/12/59/77/499125977.db2.gz YXANTFKXJQBQOL-PMACEKPBSA-N 2 0 364.497 3.390 20 0 FGADRP CCOC(=O)N1CCC([NH2+]C[C@]2(C)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000366998042 499131765 /nfs/dbraw/zinc/13/17/65/499131765.db2.gz PHZCOKMUJFOWTN-NRFANRHFSA-N 2 0 359.514 3.109 20 0 FGADRP CC(C)[NH+]1CCN(CCC[NH+]2CCC(Sc3ccccn3)CC2)CC1 ZINC000367042058 499138310 /nfs/dbraw/zinc/13/83/10/499138310.db2.gz CVGOMHQXGBVMEN-UHFFFAOYSA-N 2 0 362.587 3.054 20 0 FGADRP C[N@H+](C[C@H](O)c1ccccc1Cl)C1CCN(CCc2ccncc2)CC1 ZINC000367049538 499139892 /nfs/dbraw/zinc/13/98/92/499139892.db2.gz GXVPVTSLBKBOTE-NRFANRHFSA-N 2 0 373.928 3.407 20 0 FGADRP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](CCCSCc3ccccc3)C2)CC1 ZINC000367141516 499153665 /nfs/dbraw/zinc/15/36/65/499153665.db2.gz PVAXSXGBQKRCME-OAQYLSRUSA-N 2 0 361.599 3.410 20 0 FGADRP CC(C)CC(=O)N1CCC(C[N@@H+]2CC[C@H]3[C@H](CCCN3C3CC3)C2)CC1 ZINC000367252182 499168532 /nfs/dbraw/zinc/16/85/32/499168532.db2.gz LKNHDXHWHYTBRD-CTNGQTDRSA-N 2 0 361.574 3.220 20 0 FGADRP C[C@H](c1nc(-c2cccnc2)no1)[NH+]1CCC2(C[C@@H]2C[N@H+](C)C2CC2)CC1 ZINC000367308866 499178417 /nfs/dbraw/zinc/17/84/17/499178417.db2.gz FQGOTTXQZRPAFR-NVXWUHKLSA-N 2 0 367.497 3.389 20 0 FGADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N1CCCC12CC[NH+](C)CC2 ZINC000367474237 499203560 /nfs/dbraw/zinc/20/35/60/499203560.db2.gz BOMNETDXNNUKAR-UHFFFAOYSA-N 2 0 372.557 3.297 20 0 FGADRP C[C@@H]1CN(Cc2ccc(F)c(C(F)(F)F)c2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000370710852 499247114 /nfs/dbraw/zinc/24/71/14/499247114.db2.gz VFURLKMYOWXFSX-KDOFPFPSSA-N 2 0 373.438 3.302 20 0 FGADRP C[C@H](C(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)[C@H]([NH3+])c1ccccc1 ZINC000370763848 499252496 /nfs/dbraw/zinc/25/24/96/499252496.db2.gz PWJXGYVJMUVZPB-VCOUNFBDSA-N 2 0 365.521 3.351 20 0 FGADRP C[NH+]1CCC(N2CC[C@H]([NH2+][C@@H]3CCCc4c5ccccc5[nH]c43)C2)CC1 ZINC000368007225 499254473 /nfs/dbraw/zinc/25/44/73/499254473.db2.gz PMZLKRGYDNOHTM-HRAATJIYSA-N 2 0 352.526 3.303 20 0 FGADRP C[C@H]1C[C@@H](C(=O)N[C@@H]2CCC[C@H]3C[NH+](Cc4ccccc4)C[C@@H]32)CC[N@@H+]1C ZINC000368249525 499278216 /nfs/dbraw/zinc/27/82/16/499278216.db2.gz LYXYONHQONEEAN-JFZIVLOISA-N 2 0 369.553 3.134 20 0 FGADRP CC1CC[NH+](CCCC[NH2+][C@H]2CCS(=O)(=O)c3c(F)cccc32)CC1 ZINC000368375173 499290413 /nfs/dbraw/zinc/29/04/13/499290413.db2.gz SBPWHKFVPWPJNG-SFHVURJKSA-N 2 0 368.518 3.146 20 0 FGADRP C[C@H](C[C@H](O)c1ccc(F)cc1)[NH2+][C@@H]1CCN(C[C@@H]2CCCO2)C[C@H]1C ZINC000371258321 499303184 /nfs/dbraw/zinc/30/31/84/499303184.db2.gz NGSXPUJEKBKHJA-CQQLTZKSSA-N 2 0 364.505 3.117 20 0 FGADRP [NH3+]Cc1ccc(C(=O)N2CCC[C@@H]2[C@@H]2CCC[N@@H+]2Cc2ccccc2)cc1 ZINC000371271569 499304566 /nfs/dbraw/zinc/30/45/66/499304566.db2.gz SEWOJSJDRUXSBC-FCHUYYIVSA-N 2 0 363.505 3.415 20 0 FGADRP COc1cc(C[NH2+]C[C@H]2CCC[N@H+](Cc3ccccc3)C2)cc(OC)c1O ZINC000368624721 499314849 /nfs/dbraw/zinc/31/48/49/499314849.db2.gz OJPCIVGMWALDIM-GOSISDBHSA-N 2 0 370.493 3.411 20 0 FGADRP COC1(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)CCOCC1 ZINC000369001771 499355539 /nfs/dbraw/zinc/35/55/39/499355539.db2.gz QQLLRFRACXLZNF-SFTDATJTSA-N 2 0 358.526 3.169 20 0 FGADRP CCC[NH+]1CCN(C2CC[NH+](CCSc3ccccc3F)CC2)CC1 ZINC000369158093 499371935 /nfs/dbraw/zinc/37/19/35/499371935.db2.gz VVDYFKTXMIAUME-UHFFFAOYSA-N 2 0 365.562 3.410 20 0 FGADRP C[C@H](O)C[C@H](C[NH2+][C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@@H]1C)c1ccccc1 ZINC000372056004 499394092 /nfs/dbraw/zinc/39/40/92/499394092.db2.gz XIKYBOWDIGIMNT-QHGDMDKLSA-N 2 0 360.542 3.020 20 0 FGADRP C[C@@H]1CCC[N@@H+]1C1CCN(C(=O)NCCCC[NH+]2CCCC[C@H]2C)CC1 ZINC000372085448 499397739 /nfs/dbraw/zinc/39/77/39/499397739.db2.gz IZRBHHUVADQCQD-RTBURBONSA-N 2 0 364.578 3.299 20 0 FGADRP CCOc1ccc(C[NH+]2CCC(C)(C[NH+]3CCN(C)CC3)CC2)cc1F ZINC000369485083 499407616 /nfs/dbraw/zinc/40/76/16/499407616.db2.gz PFHPAATWVRYSPB-UHFFFAOYSA-N 2 0 363.521 3.074 20 0 FGADRP CN1Cc2ccccc2[C@H](NC(=O)C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000372297660 499417758 /nfs/dbraw/zinc/41/77/58/499417758.db2.gz JKWUQKYHHAZKJF-JOCHJYFZSA-N 2 0 363.505 3.202 20 0 FGADRP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)C1CC[NH+](Cc2cccnc2)CC1 ZINC000369661934 499433314 /nfs/dbraw/zinc/43/33/14/499433314.db2.gz PXXVBZRRLMSPHG-IBGZPJMESA-N 2 0 372.557 3.064 20 0 FGADRP CC[NH+](CC)CCOc1ccc(NC(=O)N2CCC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000369780621 499442662 /nfs/dbraw/zinc/44/26/62/499442662.db2.gz SSRDTHWFNIXGKS-LJQANCHMSA-N 2 0 374.529 3.109 20 0 FGADRP C[C@@H]1CCC[N@H+](CCCC[NH2+][C@@H]2CCS(=O)(=O)c3ccc(F)cc32)C1 ZINC000373223238 499458428 /nfs/dbraw/zinc/45/84/28/499458428.db2.gz HKCACSISQRXIFL-CRAIPNDOSA-N 2 0 368.518 3.146 20 0 FGADRP CN(C)c1cc[nH+]cc1CNC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000373494023 499473228 /nfs/dbraw/zinc/47/32/28/499473228.db2.gz JTKHTTKYAAXZJI-UHFFFAOYSA-N 2 0 356.436 3.043 20 0 FGADRP CC[NH+](CC)CCOc1ccc(C(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cc1 ZINC000378237058 499493122 /nfs/dbraw/zinc/49/31/22/499493122.db2.gz ZKIKXLLWOOZLOG-FPOVZHCZSA-N 2 0 373.541 3.011 20 0 FGADRP CC[C@@H]1CN(C(=O)c2ccn3c(C)cnc3c2)CCN1Cc1ccccc1 ZINC000573218440 506147132 /nfs/dbraw/zinc/14/71/32/506147132.db2.gz GNTNIPBOEBKIAT-HXUWFJFHSA-N 2 0 362.477 3.379 20 0 FGADRP C[C@@H](c1ccc(OC(F)F)cc1)[N@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000378425930 499515748 /nfs/dbraw/zinc/51/57/48/499515748.db2.gz GTGVSYCSXUZYIJ-YJBOKZPZSA-N 2 0 367.484 3.449 20 0 FGADRP Cc1cn2c(n1)CC[C@@H]([NH2+][C@H]1CC3(CC[NH+](C)CC3)Oc3ccccc31)C2 ZINC000378440853 499517058 /nfs/dbraw/zinc/51/70/58/499517058.db2.gz CWGYCRREDZLTQM-MJGOQNOKSA-N 2 0 366.509 3.084 20 0 FGADRP COC(=O)c1ccc(CNC2CC[NH+](C(C)C)CC2)c(Br)c1 ZINC000387172023 499549772 /nfs/dbraw/zinc/54/97/72/499549772.db2.gz AQAFUTBNOTWBAA-UHFFFAOYSA-N 2 0 369.303 3.198 20 0 FGADRP COc1cc(C[NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc2c1OCO2 ZINC000388495683 499551205 /nfs/dbraw/zinc/55/12/05/499551205.db2.gz FXHRJXXMRQOCRU-KRWDZBQOSA-N 2 0 354.450 3.036 20 0 FGADRP [NH3+][C@@H]1C[C@H](NC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)c2ccccc21 ZINC000390586232 499554486 /nfs/dbraw/zinc/55/44/86/499554486.db2.gz FOMNDEZJUVGAIO-QIJUGHKUSA-N 2 0 351.494 3.012 20 0 FGADRP CN(C)c1ccc(N2CCC([NH2+][C@@H]3CC[N@H+](C)[C@H]4CCC[C@@H]43)CC2)cc1 ZINC000375802019 499556939 /nfs/dbraw/zinc/55/69/39/499556939.db2.gz PVLHPFBZZGTOHO-VSKRKVRLSA-N 2 0 356.558 3.184 20 0 FGADRP C[N@@H+]1CC[C@H]([NH2+]CCc2ccc(OCC[NH+]3CCCC3)cc2)[C@H]2CCC[C@H]21 ZINC000579336794 506150005 /nfs/dbraw/zinc/15/00/05/506150005.db2.gz XDCVMMCCEDDVJL-XPWALMASSA-N 3 0 371.569 3.166 20 0 FGADRP CCOc1ccccc1C[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000397486483 499563862 /nfs/dbraw/zinc/56/38/62/499563862.db2.gz CJTHGJQFFALUIV-UHFFFAOYSA-N 2 0 354.494 3.202 20 0 FGADRP COc1cccc(Cl)c1C[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000397578879 499564144 /nfs/dbraw/zinc/56/41/44/499564144.db2.gz CGCFCXNHKPXHBF-UHFFFAOYSA-N 2 0 374.912 3.465 20 0 FGADRP COc1ccc(C[NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)cc1Cl ZINC000397675708 499564646 /nfs/dbraw/zinc/56/46/46/499564646.db2.gz JLPXBBQKVJLQMP-UHFFFAOYSA-N 2 0 374.912 3.465 20 0 FGADRP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](Cc3c(Cl)ccc4cccnc43)C2)CC1 ZINC000375893160 499565523 /nfs/dbraw/zinc/56/55/23/499565523.db2.gz XHVPSISNKNSDLI-GOSISDBHSA-N 2 0 372.944 3.489 20 0 FGADRP CC(=O)c1c(C)cc(C)c(C[N@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)c1C ZINC000375906447 499567398 /nfs/dbraw/zinc/56/73/98/499567398.db2.gz PFMBLLSJTFTDGD-OAQYLSRUSA-N 2 0 371.569 3.415 20 0 FGADRP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccc(OC(F)(F)F)cc3)C2)CC1 ZINC000375908401 499567564 /nfs/dbraw/zinc/56/75/64/499567564.db2.gz WVMSNZWQJOLQLA-QGZVFWFLSA-N 2 0 371.447 3.186 20 0 FGADRP c1nc([C@H]2CCCN(c3ccnc(N4CCCCC4)n3)C2)n2c1CCCC2 ZINC000409649006 499611875 /nfs/dbraw/zinc/61/18/75/499611875.db2.gz APHSRFIZHSDNAU-KRWDZBQOSA-N 2 0 366.513 3.384 20 0 FGADRP Clc1ccc(CN2CCC[C@@H]([NH+]3CCCC3)CC2)c(-n2cncn2)c1 ZINC000376567556 499619150 /nfs/dbraw/zinc/61/91/50/499619150.db2.gz XHWVAHLOUBRMAD-GOSISDBHSA-N 2 0 359.905 3.371 20 0 FGADRP C[C@H]1[C@H]([NH2+]C2CCN(Cc3ccncc3)CC2)CCN1Cc1ccccc1 ZINC000376733449 499632859 /nfs/dbraw/zinc/63/28/59/499632859.db2.gz KPTDBZMSJQFLHU-WMZHIEFXSA-N 2 0 364.537 3.299 20 0 FGADRP COCCC1(C[NH2+][C@@H]2CC[N@H+](C[C@@H]3CCCO3)C[C@@H]2C)CCCCC1 ZINC000376940220 499648057 /nfs/dbraw/zinc/64/80/57/499648057.db2.gz FVVCAOWEHRULJR-SLFFLAALSA-N 2 0 352.563 3.452 20 0 FGADRP C[C@H](NC(=O)N1CCC([NH2+]C2CCCC2)CC1)[C@H](c1ccccc1)[NH+](C)C ZINC000377266319 499675358 /nfs/dbraw/zinc/67/53/58/499675358.db2.gz PZUFYOJFZHJASX-LAUBAEHRSA-N 2 0 372.557 3.384 20 0 FGADRP CC(C)c1ccc(C(=O)NCCC2CC[NH+](C3CCN(C)CC3)CC2)nc1 ZINC000377317197 499679417 /nfs/dbraw/zinc/67/94/17/499679417.db2.gz OUSDSVSGNHNCRN-UHFFFAOYSA-N 2 0 372.557 3.131 20 0 FGADRP O=C(Nc1ccn2ccnc2c1)[C@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F ZINC000410876757 499683004 /nfs/dbraw/zinc/68/30/04/499683004.db2.gz MOWYXOAFTKNWBJ-QGZVFWFLSA-N 2 0 370.403 3.430 20 0 FGADRP CC[NH+](CC)CC1CC[NH+](C[C@@H](O)COc2ccc(SC)cc2)CC1 ZINC000411172913 499706330 /nfs/dbraw/zinc/70/63/30/499706330.db2.gz KEPVDBIPCAQOFS-GOSISDBHSA-N 2 0 366.571 3.202 20 0 FGADRP CN(Cc1cnc(C(C)(C)C)s1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000377634822 499713588 /nfs/dbraw/zinc/71/35/88/499713588.db2.gz YUFKHYREGQCGBG-MRXNPFEDSA-N 2 0 350.576 3.041 20 0 FGADRP C[NH+]1CCC(N2CCC([NH2+]C3CC(c4cc(F)cc(F)c4)C3)CC2)CC1 ZINC000377640916 499714025 /nfs/dbraw/zinc/71/40/25/499714025.db2.gz CMDDZGTVZYGYTG-UHFFFAOYSA-N 2 0 363.496 3.359 20 0 FGADRP Cn1c2ccc(C[N@H+](C)C3CCN(c4cc[nH+]cc4)CC3)cc2sc1=O ZINC000377698568 499721782 /nfs/dbraw/zinc/72/17/82/499721782.db2.gz PULGRINKCLBEDR-UHFFFAOYSA-N 2 0 368.506 3.096 20 0 FGADRP C[N@H+](Cc1ccccc1N1CCOCC1)C1CCN(c2cc[nH+]cc2)CC1 ZINC000377708219 499723352 /nfs/dbraw/zinc/72/33/52/499723352.db2.gz YFTONZUJOYWYTC-UHFFFAOYSA-N 2 0 366.509 3.019 20 0 FGADRP CCN1CCC([NH+](C)CCC(C)CC[N@@H+](C)C2CCN(CC)CC2)CC1 ZINC000411305994 499724244 /nfs/dbraw/zinc/72/42/44/499724244.db2.gz KPCKTZVPRWWMPG-UHFFFAOYSA-N 2 0 366.638 3.235 20 0 FGADRP C[N@@H+]1CC[C@H](CNCc2nccn2CC(F)(F)F)[C@@H]1c1ccccc1 ZINC000377763734 499730051 /nfs/dbraw/zinc/73/00/51/499730051.db2.gz RYKYTVZFMRBOBK-WBVHZDCISA-N 2 0 352.404 3.228 20 0 FGADRP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411401794 499734921 /nfs/dbraw/zinc/73/49/21/499734921.db2.gz RHRMNIVFGULDLB-VJBWXMMDSA-N 2 0 371.569 3.356 20 0 FGADRP CCN1C[C@H](C)[NH+](CCC(C)CC[N@@H+]2C[C@H](C)N(CC)C[C@@H]2C)C[C@@H]1C ZINC000411416645 499737364 /nfs/dbraw/zinc/73/73/64/499737364.db2.gz CZYUWGLSEBCWCI-CMOCDZPBSA-N 2 0 366.638 3.232 20 0 FGADRP CC(C)[NH+]1CCC(NC(=O)C[NH2+][C@H](C)c2cccc(C(F)(F)F)c2)CC1 ZINC000411435293 499739985 /nfs/dbraw/zinc/73/99/85/499739985.db2.gz CFWFWDXOUSUPLJ-CQSZACIVSA-N 2 0 371.447 3.345 20 0 FGADRP CC(C)Oc1cccc([C@@H](C)[NH2+]CC(=O)NC2CC[NH+](C(C)C)CC2)c1 ZINC000411440640 499740587 /nfs/dbraw/zinc/74/05/87/499740587.db2.gz BZDYCHNDSKILPB-QGZVFWFLSA-N 2 0 361.530 3.113 20 0 FGADRP CC[NH+]1CCC(NC(=O)C[NH2+][C@@H](CC(C)(C)C)c2ccc(F)cc2)CC1 ZINC000411443469 499741058 /nfs/dbraw/zinc/74/10/58/499741058.db2.gz CIHLFKQSHJVBHB-IBGZPJMESA-N 2 0 363.521 3.493 20 0 FGADRP C[C@H]1C[N@H+](CCn2ccc3cc(Cl)ccc32)CC[C@H]1N1CC[NH+](C)CC1 ZINC000377870038 499743846 /nfs/dbraw/zinc/74/38/46/499743846.db2.gz SADVVSVNHCEZSP-FXAWDEMLSA-N 2 0 374.960 3.253 20 0 FGADRP C[N@H+](Cc1nc(-c2ccsc2)no1)C1CCN(c2ccccn2)CC1 ZINC000377932037 499749042 /nfs/dbraw/zinc/74/90/42/499749042.db2.gz MJYLIAWAALREEG-UHFFFAOYSA-N 2 0 355.467 3.294 20 0 FGADRP CC(C)C[C@@H]([NH2+]CC(=O)NC1CC[NH+](C(C)C)CC1)c1cccs1 ZINC000411515219 499750248 /nfs/dbraw/zinc/75/02/48/499750248.db2.gz UZTSAQIHEAYGDS-QGZVFWFLSA-N 2 0 351.560 3.414 20 0 FGADRP NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+][C@@H]2CC[C@@H](c3cccc(Cl)c3)C2)C1 ZINC000414131749 499763326 /nfs/dbraw/zinc/76/33/26/499763326.db2.gz YKJBJLXWZSCNSJ-ZHALLVOQSA-N 2 0 363.933 3.153 20 0 FGADRP CC[NH+](CC)Cc1ccc(C[NH2+]Cc2ccc(S(C)(=O)=O)s2)cc1 ZINC000414252492 499771734 /nfs/dbraw/zinc/77/17/34/499771734.db2.gz HSCJOKRSJZERPS-UHFFFAOYSA-N 2 0 366.552 3.283 20 0 FGADRP CC(C)O[C@@H]1C[C@@H]([NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)C1(C)C ZINC000414305776 499776070 /nfs/dbraw/zinc/77/60/70/499776070.db2.gz NQRSHECDNFPEMT-WOJBJXKFSA-N 2 0 360.542 3.195 20 0 FGADRP C[C@H]([NH2+]C[C@H](CO)c1ccc(F)cc1)c1cccc(OCC[NH+](C)C)c1 ZINC000414308707 499776502 /nfs/dbraw/zinc/77/65/02/499776502.db2.gz IQNUQCUWJKASQU-QFBILLFUSA-N 2 0 360.473 3.193 20 0 FGADRP OC[C@@]1([C@H]([NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)C2CC2)CCCO1 ZINC000411775496 499789485 /nfs/dbraw/zinc/78/94/85/499789485.db2.gz XXUOURLXODRYAV-FGZHOGPDSA-N 2 0 358.526 3.082 20 0 FGADRP O[C@@H]1C[C@H]([C@@H]2CCCOC2)[N@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000411785391 499790301 /nfs/dbraw/zinc/79/03/01/499790301.db2.gz JRVBQLZJLVXRLG-YPAWHYETSA-N 2 0 358.526 3.034 20 0 FGADRP O[C@@H]1C[C@H]([C@H]2CCCOC2)[N@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000411785385 499790308 /nfs/dbraw/zinc/79/03/08/499790308.db2.gz JRVBQLZJLVXRLG-BHDDXSALSA-N 2 0 358.526 3.034 20 0 FGADRP CC1=CCC[C@@H](C)[C@H]1C[NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000414551249 499807243 /nfs/dbraw/zinc/80/72/43/499807243.db2.gz FBQICQQRPQIVPF-GCJKJVERSA-N 2 0 369.553 3.466 20 0 FGADRP CC(C)C(C[NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1)C(C)C ZINC000414554368 499807658 /nfs/dbraw/zinc/80/76/58/499807658.db2.gz KJWUQLGYJCOSCD-UHFFFAOYSA-N 2 0 359.558 3.402 20 0 FGADRP CC[NH+]1CCC(NC(=O)C[N@H+](C)[C@@H]2CCCC[C@H]2c2ccccc2)CC1 ZINC000411997460 499811615 /nfs/dbraw/zinc/81/16/15/499811615.db2.gz IAMLXJHOLZDUSK-LEWJYISDSA-N 2 0 357.542 3.245 20 0 FGADRP COc1ccc(C[N@H+](C)CCCN2CC[NH+](C(C)C)CC2)cc1Cl ZINC000412040718 499816317 /nfs/dbraw/zinc/81/63/17/499816317.db2.gz MDOACRBYXDCCAZ-UHFFFAOYSA-N 2 0 353.938 3.197 20 0 FGADRP CCC[NH+]1CCN(c2ccccc2C[NH+]2CCC(CC[NH2+]C)CC2)CC1 ZINC000414652979 499817423 /nfs/dbraw/zinc/81/74/23/499817423.db2.gz ACXYBSSOQBGBSR-UHFFFAOYSA-N 3 0 358.574 3.040 20 0 FGADRP [NH3+]CC(=O)N1CCC[C@H](C[N@@H+]2CCC[C@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000414670382 499819287 /nfs/dbraw/zinc/81/92/87/499819287.db2.gz DCVLUWXHQHMWBH-DYVFJYSZSA-N 2 0 370.324 3.328 20 0 FGADRP [NH3+]CC(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2CCCc2ccccc2)C1 ZINC000414714843 499822230 /nfs/dbraw/zinc/82/22/30/499822230.db2.gz VYWYIVUEWAKVJA-NHCUHLMSSA-N 2 0 357.542 3.061 20 0 FGADRP CCC[N@@H+](CC(=O)Nc1ccc(F)c(F)c1F)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414741566 499825667 /nfs/dbraw/zinc/82/56/67/499825667.db2.gz RZSJIGLSIXPIDI-STQMWFEESA-N 2 0 357.420 3.143 20 0 FGADRP CC(=O)NCC[N@H+](Cc1ccc(Cl)cc1Cl)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414752687 499826852 /nfs/dbraw/zinc/82/68/52/499826852.db2.gz LBZBJRSCJIXIHF-HIFRSBDPSA-N 2 0 372.340 3.320 20 0 FGADRP C[C@H]1c2c(Cl)cc(Cl)cc2CC[N@H+]1C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414760646 499827543 /nfs/dbraw/zinc/82/75/43/499827543.db2.gz YTVDWBWGFPFBDI-STQMWFEESA-N 2 0 370.324 3.110 20 0 FGADRP FC(F)(F)c1ccc([C@@H]2CCC[C@H]2[NH2+]CCCN2CC[NH2+]CC2)cc1 ZINC000414784483 499830774 /nfs/dbraw/zinc/83/07/74/499830774.db2.gz SJDXWJBHLNYDHH-ZWKOTPCHSA-N 2 0 355.448 3.226 20 0 FGADRP CC[NH+](CC)CCOc1ccccc1NC(=O)NCC1([NH3+])CCCCC1 ZINC000414793996 499831793 /nfs/dbraw/zinc/83/17/93/499831793.db2.gz VDQQXONYVMKXJS-UHFFFAOYSA-N 2 0 362.518 3.190 20 0 FGADRP Cc1cccn2cc(COc3ccc(C[NH2+]CC[C@@H]4CC[NH2+]C4)cc3)nc12 ZINC000414838854 499836258 /nfs/dbraw/zinc/83/62/58/499836258.db2.gz VUHFJWXEKZEUNB-LJQANCHMSA-N 2 0 364.493 3.311 20 0 FGADRP C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@H](C)[C@H]1CCC[NH2+]C1 ZINC000414847724 499837382 /nfs/dbraw/zinc/83/73/82/499837382.db2.gz GAIPGPYSXFGCSE-MCIONIFRSA-N 2 0 368.319 3.144 20 0 FGADRP Brc1ccc(-n2cc(C[NH2+]CC[C@@H]3CCC[NH2+]C3)cn2)cc1 ZINC000414850359 499837873 /nfs/dbraw/zinc/83/78/73/499837873.db2.gz MUCALFIYDJRJTG-AWEZNQCLSA-N 2 0 363.303 3.114 20 0 FGADRP CCC[NH2+]CCNC1CC[NH+](Cc2ccccc2Br)CC1 ZINC000414874943 499840007 /nfs/dbraw/zinc/84/00/07/499840007.db2.gz TXJJVALDKUZNMS-UHFFFAOYSA-N 2 0 354.336 3.003 20 0 FGADRP C[C@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[NH2+]C[C@@H](C)C[NH3+] ZINC000414882827 499840945 /nfs/dbraw/zinc/84/09/45/499840945.db2.gz UPDOOUHRWNOEEA-VHSXEESVSA-N 2 0 351.800 3.260 20 0 FGADRP C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]C[C@]1(C)CCC[NH2+]C1 ZINC000414917931 499844720 /nfs/dbraw/zinc/84/47/20/499844720.db2.gz SNCYAYHHODTWHO-CXAGYDPISA-N 2 0 368.319 3.146 20 0 FGADRP Brc1cc(C[NH2+]CCC[C@@H]2CCC[NH2+]2)cc2c1OCCCO2 ZINC000414963062 499849276 /nfs/dbraw/zinc/84/92/76/499849276.db2.gz CNMWVKRPBAPIRY-CQSZACIVSA-N 2 0 369.303 3.232 20 0 FGADRP O=C(Nc1ccc(CC[NH+]2CCCCC2)cc1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000414971913 499850076 /nfs/dbraw/zinc/85/00/76/499850076.db2.gz XAHMWPKZEJLEQW-BGYRXZFFSA-N 2 0 370.541 3.178 20 0 FGADRP C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000414974829 499850545 /nfs/dbraw/zinc/85/05/45/499850545.db2.gz KXBHHGMMZSIJRS-XLIONFOSSA-N 2 0 358.530 3.449 20 0 FGADRP C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000414980372 499851086 /nfs/dbraw/zinc/85/10/86/499851086.db2.gz WJYSFGGKKCDMBC-QAPCUYQASA-N 2 0 351.922 3.199 20 0 FGADRP C[C@H](CCC[NH3+])[NH2+]Cc1ccc(Br)c(Br)c1 ZINC000415024317 499855998 /nfs/dbraw/zinc/85/59/98/499855998.db2.gz OSOPQZFIINDVQP-SECBINFHSA-N 2 0 350.098 3.429 20 0 FGADRP COc1ccc(NC(=O)C[C@H](C)[NH2+][C@H](CCC[NH3+])c2ccccc2)cc1 ZINC000415048255 499857750 /nfs/dbraw/zinc/85/77/50/499857750.db2.gz GAPROJRKPUMWAN-OXJNMPFZSA-N 2 0 355.482 3.482 20 0 FGADRP c1cncc(-c2cccc(C[NH2+]C3CCC([NH+]4CCNCC4)CC3)c2)c1 ZINC000415050574 499858308 /nfs/dbraw/zinc/85/83/08/499858308.db2.gz INGKZYWMQZHCCG-UHFFFAOYSA-N 2 0 350.510 3.055 20 0 FGADRP C[C@H]1C[C@H](C[NH2+]CCOc2ncc(C(F)(F)F)cc2Cl)CC[NH2+]1 ZINC000415087883 499862208 /nfs/dbraw/zinc/86/22/08/499862208.db2.gz VOFQQDRZVLXTSK-WDEREUQCSA-N 2 0 351.800 3.110 20 0 FGADRP CCOc1cc(C[N@@H+]2CC[C@H](C)[C@H](C[NH3+])C2)ccc1OCC(F)(F)F ZINC000415101886 499863685 /nfs/dbraw/zinc/86/36/85/499863685.db2.gz BUHQDQOOQYTXNK-DZGCQCFKSA-N 2 0 360.420 3.443 20 0 FGADRP [NH3+][C@H]1CCCO[C@@H]1C1CC[NH+](Cc2ccc(OC(F)F)c(F)c2)CC1 ZINC000415106574 499864222 /nfs/dbraw/zinc/86/42/22/499864222.db2.gz JTKUYZIDUQMKJU-DOTOQJQBSA-N 2 0 358.404 3.145 20 0 FGADRP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](Cc2cccc(OC(F)(F)F)c2)CC1 ZINC000415111984 499865152 /nfs/dbraw/zinc/86/51/52/499865152.db2.gz RQYAMXJDKZQSHR-IAGOWNOFSA-N 2 0 358.404 3.304 20 0 FGADRP C[C@@]1(C[N@@H+]2C[C@H]3CCC[C@@]3(c3nc(-c4ccccc4)no3)C2)CC[NH2+]C1 ZINC000415111272 499865209 /nfs/dbraw/zinc/86/52/09/499865209.db2.gz UGHSPCPNBMBTOG-DUXKGJEZSA-N 2 0 352.482 3.090 20 0 FGADRP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000415124002 499866719 /nfs/dbraw/zinc/86/67/19/499866719.db2.gz LXXUIDHGLNHPSK-VXKWHMMOSA-N 3 0 373.585 3.363 20 0 FGADRP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](Cc2ccc(OCC(F)(F)F)cc2)CC1 ZINC000415124418 499866835 /nfs/dbraw/zinc/86/68/35/499866835.db2.gz KFAWNPSAMNHPFG-MSOLQXFVSA-N 2 0 372.431 3.346 20 0 FGADRP CCCOc1cc(C[NH+]2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)ccc1OC ZINC000415129389 499867788 /nfs/dbraw/zinc/86/77/88/499867788.db2.gz PIPFELILCXSJHN-NQIIRXRSSA-N 2 0 362.514 3.202 20 0 FGADRP C[C@H]1CCCN(C(=O)Nc2ccc(OCC[NH+]3CCCCC3)cc2)[C@@H]1C[NH3+] ZINC000415304733 499885126 /nfs/dbraw/zinc/88/51/26/499885126.db2.gz GEXTWQXZFDIYHE-FXAWDEMLSA-N 2 0 374.529 3.142 20 0 FGADRP CCCC[C@@H](C[NH3+])NC(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000415309085 499885288 /nfs/dbraw/zinc/88/52/88/499885288.db2.gz MILQJEKOYUBHFL-SFHVURJKSA-N 2 0 362.518 3.190 20 0 FGADRP CC(C)[C@](C)(C[NH3+])NC(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000415309815 499885384 /nfs/dbraw/zinc/88/53/84/499885384.db2.gz NLZAYXWIRLOTDB-FQEVSTJZSA-N 2 0 362.518 3.046 20 0 FGADRP [NH3+][C@@H]1CCC[C@@H](CNC(=O)Nc2ccc(OCC[NH+]3CCCCC3)cc2)C1 ZINC000415309799 499885412 /nfs/dbraw/zinc/88/54/12/499885412.db2.gz NJAWUGDAFUYIQS-QZTJIDSGSA-N 2 0 374.529 3.190 20 0 FGADRP CCc1ccccc1[C@H]([NH3+])CNC(=O)Nc1ccccc1CC[NH+](C)C ZINC000415560513 499902084 /nfs/dbraw/zinc/90/20/84/499902084.db2.gz FXIAYXPDBRKRQZ-LJQANCHMSA-N 2 0 354.498 3.175 20 0 FGADRP C[NH+](C)[C@@H]1CCc2cc(NC(=O)N3CCC([C@@H]4CCC[NH2+]4)CC3)ccc21 ZINC000415786193 499918624 /nfs/dbraw/zinc/91/86/24/499918624.db2.gz JPHKBXUCGWVLTD-VQTJNVASSA-N 2 0 356.514 3.231 20 0 FGADRP C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000415880269 499923653 /nfs/dbraw/zinc/92/36/53/499923653.db2.gz FJZBWCRHTXBZJT-UHFFFAOYSA-N 2 0 370.472 3.067 20 0 FGADRP C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)Nc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000415880213 499923815 /nfs/dbraw/zinc/92/38/15/499923815.db2.gz FBRPUPGUNZHJOF-IRXDYDNUSA-N 2 0 358.530 3.212 20 0 FGADRP CN(C(=O)Nc1ccc2c(c1)C[NH2+]CC2)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000415901159 499926148 /nfs/dbraw/zinc/92/61/48/499926148.db2.gz UNHDJNAYWOWNQQ-OAQYLSRUSA-N 2 0 364.493 3.071 20 0 FGADRP CC[NH2+]Cc1ccccc1NC(=O)NC[C@H](Cc1ccccc1)[NH+](C)C ZINC000415916187 499928009 /nfs/dbraw/zinc/92/80/09/499928009.db2.gz BAAKPINVPZYSST-IBGZPJMESA-N 2 0 354.498 3.091 20 0 FGADRP C[NH2+]Cc1ccccc1NC(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000415915062 499928046 /nfs/dbraw/zinc/92/80/46/499928046.db2.gz XWXDYGCUVJBZMN-IBGZPJMESA-N 2 0 366.509 3.392 20 0 FGADRP C[NH2+]Cc1cccc(NC(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000415943011 499931405 /nfs/dbraw/zinc/93/14/05/499931405.db2.gz LERHIIBZHOLSBU-FQEVSTJZSA-N 2 0 352.482 3.144 20 0 FGADRP C[NH2+]Cc1cccc(NC(=O)N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000415946187 499931854 /nfs/dbraw/zinc/93/18/54/499931854.db2.gz SYRMOMUJJRNOHF-FQEVSTJZSA-N 2 0 366.509 3.392 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)Nc1ccc(OCC[NH3+])cc1)c1ccccc1 ZINC000415952440 499932747 /nfs/dbraw/zinc/93/27/47/499932747.db2.gz DKEKIEIXBZNGBU-HXUWFJFHSA-N 2 0 370.497 3.229 20 0 FGADRP CN(C(=O)Nc1ccc(C[NH3+])cc1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000415963338 499934250 /nfs/dbraw/zinc/93/42/50/499934250.db2.gz UVPFRQFDERAZGG-UHFFFAOYSA-N 2 0 358.408 3.026 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)Nc1ccc(C[NH3+])cc1)Cc1ccccc1 ZINC000415965830 499934801 /nfs/dbraw/zinc/93/48/01/499934801.db2.gz YYLCIRZAHJYZQT-HXUWFJFHSA-N 2 0 354.498 3.220 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)Nc1ccc(C[NH3+])cc1 ZINC000415972298 499935750 /nfs/dbraw/zinc/93/57/50/499935750.db2.gz HZIFPYRLEGSAKP-UZLBHIALSA-N 2 0 352.482 3.177 20 0 FGADRP C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000415976870 499936174 /nfs/dbraw/zinc/93/61/74/499936174.db2.gz VYDSXSHVZHDXKS-STQMWFEESA-N 2 0 372.435 3.406 20 0 FGADRP C[NH2+]Cc1ccc(NC(=O)NC2CC[NH+]([C@@H](C)c3ccncc3)CC2)cc1 ZINC000415986794 499937731 /nfs/dbraw/zinc/93/77/31/499937731.db2.gz VRRVUXYHIILJTC-INIZCTEOSA-N 2 0 367.497 3.148 20 0 FGADRP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)Nc2ccc3c(c2)C[NH2+]C3)C1 ZINC000415996080 499939176 /nfs/dbraw/zinc/93/91/76/499939176.db2.gz LYNIBBLNZXNYCT-IRXDYDNUSA-N 2 0 356.514 3.408 20 0 FGADRP O=C(Nc1ccc2c(c1)C[NH2+]C2)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000415998205 499939489 /nfs/dbraw/zinc/93/94/89/499939489.db2.gz RQPCSEWWGCRNOS-QGZVFWFLSA-N 2 0 356.514 3.410 20 0 FGADRP C[N@H+](Cc1ccccc1)[C@H](CNC(=O)Nc1ccc2c(c1)C[NH2+]C2)C1CC1 ZINC000416008688 499940461 /nfs/dbraw/zinc/94/04/61/499940461.db2.gz MQMVHGCXCLYBGT-OAQYLSRUSA-N 2 0 364.493 3.322 20 0 FGADRP [NH3+]Cc1ccc(NC(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000570425231 506166107 /nfs/dbraw/zinc/16/61/07/506166107.db2.gz MNIBAZVFAMONPJ-PMACEKPBSA-N 2 0 364.493 3.131 20 0 FGADRP O=C(CC[N@@H+]1CCc2ccccc2C1)NCCCCC[NH+]1CCCCC1 ZINC000416161830 499964699 /nfs/dbraw/zinc/96/46/99/499964699.db2.gz SASZIWVEJBWASU-UHFFFAOYSA-N 2 0 357.542 3.207 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1)CC(C)C ZINC000570438149 506167696 /nfs/dbraw/zinc/16/76/96/506167696.db2.gz RVZZYTWWHFUUJL-PKOBYXMFSA-N 2 0 354.583 3.115 20 0 FGADRP CC[NH+](CC)[C@@H](C(=O)NC1CCC([NH3+])CC1)c1cccc(C(F)(F)F)c1 ZINC000428982054 499972641 /nfs/dbraw/zinc/97/26/41/499972641.db2.gz AFPBVDPCCBOJTB-OFLPRAFFSA-N 2 0 371.447 3.474 20 0 FGADRP C[C@H]1[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000576478218 506168213 /nfs/dbraw/zinc/16/82/13/506168213.db2.gz SSPHKXGNCMHZPT-AVRDEDQJSA-N 2 0 365.521 3.184 20 0 FGADRP C[N@@H+]1CC[C@@]2(CC[NH+](CCC(=O)Nc3c(Cl)cccc3Cl)C2)C1 ZINC000429015181 499983973 /nfs/dbraw/zinc/98/39/73/499983973.db2.gz XGZMCFWBXKYMMD-QGZVFWFLSA-N 2 0 356.297 3.350 20 0 FGADRP C(=C/C[N@@H+]1CCOC[C@H](C2CCC2)C1)\C[NH+]1CCOC[C@H](C2CCC2)C1 ZINC000429033361 499989329 /nfs/dbraw/zinc/98/93/29/499989329.db2.gz FXGXBHVOWWNDLV-HSMZSTHASA-N 2 0 362.558 3.040 20 0 FGADRP CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@H](C)c2ncc[nH]2)C1 ZINC000582251324 506169213 /nfs/dbraw/zinc/16/92/13/506169213.db2.gz REXHIRJPNIBQKM-OAHLLOKOSA-N 2 0 365.481 3.008 20 0 FGADRP CC[C@H](C(=O)Nc1nc2c(s1)C[N@@H+](C(C)(C)C)CC2)[NH+](CC)CC ZINC000425081636 500014059 /nfs/dbraw/zinc/01/40/59/500014059.db2.gz OALXZIPKLJBFAV-CQSZACIVSA-N 2 0 352.548 3.359 20 0 FGADRP CC[NH+]1CCC(N2CCC[N@H+](Cc3cnc(C4CCC4)s3)CC2)CC1 ZINC000421365281 500028882 /nfs/dbraw/zinc/02/88/82/500028882.db2.gz BAPMYPUCCOCGIT-UHFFFAOYSA-N 2 0 362.587 3.403 20 0 FGADRP C[NH+](C)[C@H](CNC(=O)N[C@H](CCC[NH3+])c1ccccc1)c1cccs1 ZINC000416448061 500045316 /nfs/dbraw/zinc/04/53/16/500045316.db2.gz SPPBCOQCIQVRNN-IAGOWNOFSA-N 2 0 360.527 3.130 20 0 FGADRP C[C@H](CCCC[NH3+])NC(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000417353718 500046861 /nfs/dbraw/zinc/04/68/61/500046861.db2.gz JSUOQCUNRUXERW-GOSISDBHSA-N 2 0 360.546 3.379 20 0 FGADRP O=C(NCCC[NH2+]C1CC1)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000417354248 500048052 /nfs/dbraw/zinc/04/80/52/500048052.db2.gz LOHOYDMMYQHCKH-UHFFFAOYSA-N 2 0 358.530 3.004 20 0 FGADRP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@H]2CCN(CC(F)F)C2)CC1 ZINC000417381094 500054358 /nfs/dbraw/zinc/05/43/58/500054358.db2.gz ICBKEICIODECRG-LPHOPBHVSA-N 2 0 351.485 3.011 20 0 FGADRP CCN(C[C@H]1CC[N@H+](Cc2ccc3c(c2)C[NH2+]CC3)C1)CC(F)(F)F ZINC000573331082 506173980 /nfs/dbraw/zinc/17/39/80/506173980.db2.gz LADVCWOQOVLTBW-MRXNPFEDSA-N 2 0 355.448 3.038 20 0 FGADRP CC[C@@H](C(=O)Nc1cc(Cl)ccc1OC1CC[NH+](C)CC1)[NH+](C)C ZINC000413848385 500075603 /nfs/dbraw/zinc/07/56/03/500075603.db2.gz XBMKVKUTSRROAN-INIZCTEOSA-N 2 0 353.894 3.092 20 0 FGADRP CC1CC[NH+](Cc2cccc(CNC(=O)N(C)CC(C)(C)C[NH3+])c2)CC1 ZINC000417458018 500080077 /nfs/dbraw/zinc/08/00/77/500080077.db2.gz CEGODIPZINLYSU-UHFFFAOYSA-N 2 0 360.546 3.045 20 0 FGADRP CC1CC[NH+](Cc2cccc(CNC(=O)NCC[C@@H]3CCC[NH2+]C3)c2)CC1 ZINC000417469194 500082972 /nfs/dbraw/zinc/08/29/72/500082972.db2.gz PTVORTBKBUVFMS-IBGZPJMESA-N 2 0 372.557 3.107 20 0 FGADRP [NH3+]C[C@H](NC(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1)C1CCCCC1 ZINC000416822244 500129722 /nfs/dbraw/zinc/12/97/22/500129722.db2.gz WRSGAKPRVOCQFP-ROUUACIJSA-N 2 0 362.518 3.013 20 0 FGADRP COc1ccc([C@@H](C)[NH2+]Cc2cccnc2N2CC[NH+](C)CC2)c(C)c1 ZINC000414068386 500143532 /nfs/dbraw/zinc/14/35/32/500143532.db2.gz JRBWFNUTXFEZBF-QGZVFWFLSA-N 2 0 354.498 3.001 20 0 FGADRP C[C@H](C[NH2+][C@H](C)c1csc(-c2ccccc2)n1)CN1CC[NH+](C)CC1 ZINC000414068935 500144066 /nfs/dbraw/zinc/14/40/66/500144066.db2.gz IVYPNRBFXILFTD-IAGOWNOFSA-N 2 0 358.555 3.344 20 0 FGADRP CCOC(=O)C1([C@@H](C)[NH2+]Cc2cc3c(s2)CCCC3)CC[NH2+]CC1 ZINC000573355065 506178484 /nfs/dbraw/zinc/17/84/84/506178484.db2.gz FIQARVQXCLJUCL-CQSZACIVSA-N 2 0 350.528 3.038 20 0 FGADRP CC(C)c1ccc([C@H]([NH3+])CNC(=O)NCc2ccc(C[NH+](C)C)cc2)cc1 ZINC000416887824 500147777 /nfs/dbraw/zinc/14/77/77/500147777.db2.gz OBHMSBQUAKLDHO-OAQYLSRUSA-N 2 0 368.525 3.371 20 0 FGADRP CCC(CC)(CNC(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2)[NH2+][C@H](C)c1ccccc1 ZINC000417696243 500150823 /nfs/dbraw/zinc/15/08/23/500150823.db2.gz CFCRYKYFCHAWNX-RLLQIKCJSA-N 2 0 372.557 3.432 20 0 FGADRP CCC(CC)(CNC(=O)N1CCC[C@H]1C[NH2+]C)[NH2+][C@@H](C)c1ccccc1 ZINC000417697799 500151080 /nfs/dbraw/zinc/15/10/80/500151080.db2.gz FMGJHOQRGCEXHK-HKUYNNGSSA-N 2 0 360.546 3.289 20 0 FGADRP C[C@H]([NH2+]CCN1CCC([NH+](C)C)CC1)c1csc(-c2ccccc2)n1 ZINC000414093986 500152245 /nfs/dbraw/zinc/15/22/45/500152245.db2.gz FZDYBQNUJNSWDI-INIZCTEOSA-N 2 0 358.555 3.487 20 0 FGADRP C[C@H]([NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1)c1ccncc1Cl ZINC000421839497 500161752 /nfs/dbraw/zinc/16/17/52/500161752.db2.gz XEIOYRNBJHTOSV-INIZCTEOSA-N 2 0 350.938 3.336 20 0 FGADRP CCC(CC)[C@H](CNC(=O)N1CCC([C@H]2CCC[NH2+]2)CC1)[NH+]1CCCC1 ZINC000416958458 500166382 /nfs/dbraw/zinc/16/63/82/500166382.db2.gz PBDWTTFDSRIWPV-UXHICEINSA-N 2 0 364.578 3.061 20 0 FGADRP CCC(CC)[C@@H](CNC(=O)NCc1ccc([C@@H](C)[NH3+])cc1)[NH+]1CCCC1 ZINC000416962424 500167453 /nfs/dbraw/zinc/16/74/53/500167453.db2.gz UGHNKUMFAMICMG-OXQOHEQNSA-N 2 0 360.546 3.406 20 0 FGADRP CC[NH+](CC)Cc1cccc(CNC(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)c1 ZINC000416976883 500172801 /nfs/dbraw/zinc/17/28/01/500172801.db2.gz BNUNOLBPSWSTPC-IYARVYRRSA-N 2 0 360.546 3.093 20 0 FGADRP CC1CC[NH+](Cc2ccc(CNC(=O)N3CC[C@H](C)[C@@H](C[NH3+])C3)cc2)CC1 ZINC000416976937 500173119 /nfs/dbraw/zinc/17/31/19/500173119.db2.gz OUTMIPLFGYOTMR-RXVVDRJESA-N 2 0 372.557 3.045 20 0 FGADRP CCCN(C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@H]1C)[C@@H]1CC[NH2+]C1 ZINC000416978467 500173476 /nfs/dbraw/zinc/17/34/76/500173476.db2.gz RJJWSCBUZHFYQD-WIYYLYMNSA-N 2 0 372.557 3.345 20 0 FGADRP CC[NH+](CC)Cc1cccc(CNC(=O)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000416979697 500173995 /nfs/dbraw/zinc/17/39/95/500173995.db2.gz HYFTZCDKUZPBHH-SFTDATJTSA-N 2 0 372.557 3.060 20 0 FGADRP [NH3+]CCCN(CC1CCCC1)C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000416984739 500174798 /nfs/dbraw/zinc/17/47/98/500174798.db2.gz PBVURKUWNBGPJZ-UHFFFAOYSA-N 2 0 372.557 3.333 20 0 FGADRP CC1CC[NH+](Cc2ccc(CNC(=O)NCC[C@@H]3CCC[NH2+]C3)cc2)CC1 ZINC000416986737 500176405 /nfs/dbraw/zinc/17/64/05/500176405.db2.gz ZYWNGGYATVMBLN-IBGZPJMESA-N 2 0 372.557 3.107 20 0 FGADRP C[C@@H]([NH3+])c1ccc(CNC(=O)NCC[C@@H](C)[N@H+](C)Cc2ccccc2)cc1 ZINC000417811943 500177205 /nfs/dbraw/zinc/17/72/05/500177205.db2.gz KJTJWWKLHBMOFZ-QZTJIDSGSA-N 2 0 368.525 3.416 20 0 FGADRP C[N@H+](CCNC(=O)N[C@H](CCC[NH3+])c1ccccc1)Cc1ccc(F)cc1 ZINC000417826454 500179611 /nfs/dbraw/zinc/17/96/11/500179611.db2.gz OISGXCVDAVNARR-HXUWFJFHSA-N 2 0 372.488 3.037 20 0 FGADRP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)NCc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000416997862 500179744 /nfs/dbraw/zinc/17/97/44/500179744.db2.gz WIIARWGKWOFUIJ-BMQTXXJKSA-N 2 0 372.557 3.043 20 0 FGADRP CC(C)CC[NH+]1CCC(CNC(=O)N(CCC[NH3+])CC2CCCC2)CC1 ZINC000417837861 500181274 /nfs/dbraw/zinc/18/12/74/500181274.db2.gz ILXCNEWROFLTTL-UHFFFAOYSA-N 2 0 366.594 3.295 20 0 FGADRP C[C@@H]1CCC[N@H+](Cc2ccccc2C[NH2+]CCC(=O)Nc2cccnc2)C1 ZINC000579464545 506180971 /nfs/dbraw/zinc/18/09/71/506180971.db2.gz YRAXHOXIVRVYLU-GOSISDBHSA-N 2 0 366.509 3.432 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N1CCCC[C@@H]1[C@@H](C)[NH3+])c1ccsc1 ZINC000417006546 500182522 /nfs/dbraw/zinc/18/25/22/500182522.db2.gz JSTUHQWMTRJDOX-DJIMGWMZSA-N 2 0 352.548 3.042 20 0 FGADRP C[NH2+]CCC1CCN(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000417843040 500182743 /nfs/dbraw/zinc/18/27/43/500182743.db2.gz QDEREZIVFKRAMQ-WIYYLYMNSA-N 2 0 372.557 3.071 20 0 FGADRP C[C@H]1C[C@@H](NC(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)CC[N@@H+]1Cc1ccccc1 ZINC000417852487 500184311 /nfs/dbraw/zinc/18/43/11/500184311.db2.gz ZKTRXQMRZQHTIC-IWFBPKFRSA-N 2 0 372.557 3.104 20 0 FGADRP CC(C)c1ccc([C@H]([NH3+])CNC(=O)NC[C@H](c2ccsc2)[NH+](C)C)cc1 ZINC000417018779 500185380 /nfs/dbraw/zinc/18/53/80/500185380.db2.gz QJOKWOKPYQFUKW-RTBURBONSA-N 2 0 374.554 3.473 20 0 FGADRP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)N[C@@H](C[NH3+])c2ccc3ccccc3c2)C1 ZINC000417860905 500185915 /nfs/dbraw/zinc/18/59/15/500185915.db2.gz ZJDWYNDAUAVLLO-ZCNNSNEGSA-N 2 0 354.498 3.012 20 0 FGADRP CC(C)C[C@H](CNC(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1)[NH2+][C@H](C)c1ccccc1 ZINC000417867165 500187517 /nfs/dbraw/zinc/18/75/17/500187517.db2.gz FEWMKXBLYBKFOD-VURPSTOHSA-N 2 0 374.573 3.439 20 0 FGADRP CC(C)C[C@H](CNC(=O)NC1(C)CC[NH2+]CC1)[NH2+][C@H](C)c1ccccc1 ZINC000417867678 500187531 /nfs/dbraw/zinc/18/75/31/500187531.db2.gz FNTMOTDBFDIYKL-IEBWSBKVSA-N 2 0 360.546 3.193 20 0 FGADRP CC(C)C[C@H](CNC(=O)N1C[C@H](C[NH3+])C[C@H]1C)[NH2+][C@@H](C)c1ccccc1 ZINC000417877416 500189928 /nfs/dbraw/zinc/18/99/28/500189928.db2.gz QAFMNKVGJOFCFV-DOADOZAASA-N 2 0 360.546 3.131 20 0 FGADRP CCCC[N@H+](CC)Cc1cccc(CNC(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000417878088 500189971 /nfs/dbraw/zinc/18/99/71/500189971.db2.gz OQJNGSVLMKGIHT-RTWAWAEBSA-N 2 0 372.557 3.202 20 0 FGADRP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)N[C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000417888222 500192341 /nfs/dbraw/zinc/19/23/41/500192341.db2.gz IRUMWEBWYUWHJB-WRJHFWDFSA-N 2 0 372.557 3.054 20 0 FGADRP CCn1cncc1C[NH2+][C@H](C)c1cc(F)ccc1N1CC[NH+](CC)CC1 ZINC000417907776 500196112 /nfs/dbraw/zinc/19/61/12/500196112.db2.gz FLIYMRYGOAYXPO-MRXNPFEDSA-N 2 0 359.493 3.035 20 0 FGADRP C[C@@H]1C[C@@H](CCNC(=O)N[C@@H](C[NH3+])C2CCCC2)C[N@@H+]1Cc1ccccc1 ZINC000417927772 500199374 /nfs/dbraw/zinc/19/93/74/500199374.db2.gz QLFMTSCDDJXAEK-QFUCXCTJSA-N 2 0 372.557 3.104 20 0 FGADRP C[C@H](CCCC[NH3+])NC(=O)NCC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000417935570 500200558 /nfs/dbraw/zinc/20/05/58/500200558.db2.gz ZTAXVFXDINNKLP-QWFCFKBJSA-N 2 0 360.546 3.104 20 0 FGADRP Cc1ccc([C@H]2OCCC[C@H]2[NH2+]Cc2cc(C3CC[NH2+]CC3)no2)cc1 ZINC000425899104 500210000 /nfs/dbraw/zinc/21/00/00/500210000.db2.gz KQLXXRCOLOZQJM-TZIWHRDSSA-N 2 0 355.482 3.460 20 0 FGADRP CCn1cncc1CN[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1=O ZINC000418002520 500212579 /nfs/dbraw/zinc/21/25/79/500212579.db2.gz AEPINPXJPGSWRC-CQSZACIVSA-N 2 0 353.253 3.105 20 0 FGADRP Cc1cnccc1OC1CCN([C@@H](C)C(=O)N[C@H](C)c2ccccc2)CC1 ZINC000570503998 506182625 /nfs/dbraw/zinc/18/26/25/506182625.db2.gz DWSDHLWFPCHYAV-MSOLQXFVSA-N 2 0 367.493 3.499 20 0 FGADRP CC(C)[C@@H](CNC(=O)NC1CCC([NH+](C)C)CC1)[NH+]1CCCCCC1 ZINC000422144856 500219546 /nfs/dbraw/zinc/21/95/46/500219546.db2.gz ICYQNOGJLRVJCE-CTWPCTMYSA-N 2 0 352.567 3.059 20 0 FGADRP OC1(C[NH2+]C[C@@H]2C[C@@H]2c2ccccc2)CC[NH+](Cc2ccccc2)CC1 ZINC000418094991 500228457 /nfs/dbraw/zinc/22/84/57/500228457.db2.gz IRHHOTYYPZHJAA-FCHUYYIVSA-N 2 0 350.506 3.407 20 0 FGADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000418150639 500237691 /nfs/dbraw/zinc/23/76/91/500237691.db2.gz DCCGFGOVKNWBGL-WOJBJXKFSA-N 2 0 374.573 3.302 20 0 FGADRP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000418150820 500237791 /nfs/dbraw/zinc/23/77/91/500237791.db2.gz DKDSQTBDGMDLHR-WOJBJXKFSA-N 2 0 372.557 3.104 20 0 FGADRP CCCN(C(=O)N[C@@H](C)[C@H](c1ccccc1C)[NH+](C)C)C1CC[NH2+]CC1 ZINC000418162180 500239770 /nfs/dbraw/zinc/23/97/70/500239770.db2.gz CGCSIVMQPSCXEZ-FXAWDEMLSA-N 2 0 360.546 3.160 20 0 FGADRP CCC[N@H+](C)[C@@H](CNC(=O)N1CCC[C@@H]1C[NH2+]C)c1ccc(Cl)cc1 ZINC000418163596 500240251 /nfs/dbraw/zinc/24/02/51/500240251.db2.gz DRMJMVYGZVQVAT-MSOLQXFVSA-N 2 0 366.937 3.116 20 0 FGADRP Cc1ccccc1[C@H]([C@@H](C)NC(=O)N1CCC([C@H]2CCC[NH2+]2)CC1)[NH+](C)C ZINC000418182907 500244252 /nfs/dbraw/zinc/24/42/52/500244252.db2.gz NJVCOFLIOLPXHW-UIFIKXQLSA-N 2 0 372.557 3.160 20 0 FGADRP CC[NH2+]CC1CC[NH+]([C@@H](C)C(=O)N[C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000430542538 500251551 /nfs/dbraw/zinc/25/15/51/500251551.db2.gz KTVCZTYDTAPSKC-GJZGRUSLSA-N 2 0 351.922 3.227 20 0 FGADRP CCCC[N@H+](C)CC1CCN(C(=O)NCC2([NH3+])CCCCCC2)CC1 ZINC000418284495 500259202 /nfs/dbraw/zinc/25/92/02/500259202.db2.gz MXUJNANILHZZAJ-UHFFFAOYSA-N 2 0 352.567 3.192 20 0 FGADRP CC(C)c1ccc([C@@H]([NH3+])CNC(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)cc1 ZINC000418354367 500267343 /nfs/dbraw/zinc/26/73/43/500267343.db2.gz OJEXOULQWFLONP-UXHICEINSA-N 2 0 360.546 3.326 20 0 FGADRP CC(C)c1ccc([C@H]([NH3+])CNC(=O)N2C[C@H]([NH+]3CCCC3)C[C@@H]2C)cc1 ZINC000418363385 500268865 /nfs/dbraw/zinc/26/88/65/500268865.db2.gz VRBICVMYJLCZDV-PWIZWCRZSA-N 2 0 358.530 3.078 20 0 FGADRP [NH3+]C[C@@H](NC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1)C1CCCCC1 ZINC000418371417 500269494 /nfs/dbraw/zinc/26/94/94/500269494.db2.gz XNATXEGVCREEBC-UYAOXDASSA-N 2 0 364.578 3.192 20 0 FGADRP C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)NC[C@@H]([NH3+])c2ccccc2)CC1 ZINC000418421748 500274253 /nfs/dbraw/zinc/27/42/53/500274253.db2.gz CUUDNFGYPYFEDH-GHTZIAJQSA-N 2 0 372.557 3.373 20 0 FGADRP CC(C)C[C@H](C[NH3+])NC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000418431028 500275903 /nfs/dbraw/zinc/27/59/03/500275903.db2.gz WBFZKQFPLZVEKB-NJYVYQBISA-N 2 0 372.557 3.056 20 0 FGADRP CC(C)[NH2+]C1CCN(C(=O)N[C@@H](C[NH3+])c2ccc3ccccc3c2)CC1 ZINC000418501814 500284991 /nfs/dbraw/zinc/28/49/91/500284991.db2.gz SRTGBGXYAJSZNY-FQEVSTJZSA-N 2 0 354.498 3.012 20 0 FGADRP [NH3+][C@@H]1CCC[C@H]1[NH2+]CCSCCOc1cccc(Br)c1 ZINC000422710493 500287958 /nfs/dbraw/zinc/28/79/58/500287958.db2.gz LIROPMXJOHQYPP-HUUCEWRRSA-N 2 0 359.333 3.031 20 0 FGADRP CN(C)C[C@H](Cc1ccccc1)[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422713849 500288749 /nfs/dbraw/zinc/28/87/49/500288749.db2.gz KJEUSGAIHSNONN-IEIRFRATSA-N 2 0 365.521 3.005 20 0 FGADRP C[NH+](C)CCOc1ccc(CC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)cc1 ZINC000422733640 500291692 /nfs/dbraw/zinc/29/16/92/500291692.db2.gz BQBZTGOUXZJIQW-BHIFYINESA-N 3 0 359.558 3.070 20 0 FGADRP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@H]2[NH2+]CCc1ccc2c(c1)CCO2 ZINC000422731648 500291723 /nfs/dbraw/zinc/29/17/23/500291723.db2.gz NVRRPSWGOWKVLI-DENIHFKCSA-N 2 0 350.462 3.010 20 0 FGADRP CN(C)[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)c1c(F)cccc1F ZINC000422746016 500293006 /nfs/dbraw/zinc/29/30/06/500293006.db2.gz NEMSZNCAMGVWFS-UTRMSSBJSA-N 2 0 351.485 3.468 20 0 FGADRP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)NCc2ccc3c(c2)C[NH2+]C3)C1 ZINC000418590898 500294404 /nfs/dbraw/zinc/29/44/04/500294404.db2.gz UGLYKWSCXFRQRQ-HKUYNNGSSA-N 2 0 370.541 3.086 20 0 FGADRP CCC(CC)(CN[C@H](C1CC1)[C@H]1C[NH2+]CCO1)[NH2+][C@@H](C)c1ccccc1 ZINC000422760680 500295296 /nfs/dbraw/zinc/29/52/96/500295296.db2.gz LCPVAANTVSUYFO-IOMROCGXSA-N 2 0 359.558 3.253 20 0 FGADRP Fc1ccc(OCCC[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422780810 500296677 /nfs/dbraw/zinc/29/66/77/500296677.db2.gz KQMREXHXZKUWBH-FPOVZHCZSA-N 2 0 356.441 3.440 20 0 FGADRP CCc1ccccc1[C@H]([NH3+])CNC(=O)N(C)CCC[N@H+](C)Cc1ccco1 ZINC000418652621 500301040 /nfs/dbraw/zinc/30/10/40/500301040.db2.gz MYLHCLPILLARQK-HXUWFJFHSA-N 2 0 372.513 3.005 20 0 FGADRP CCc1ccccc1[C@@H]([NH3+])CNC(=O)N1CCC(C[NH+](CC)CC)CC1 ZINC000418658064 500302374 /nfs/dbraw/zinc/30/23/74/500302374.db2.gz VFURETBBLIZOPL-FQEVSTJZSA-N 2 0 360.546 3.012 20 0 FGADRP CC(C)C1CCC([NH+]2CCN(C(=O)N[C@@H](C)CCCC[NH3+])CC2)CC1 ZINC000418667973 500304639 /nfs/dbraw/zinc/30/46/39/500304639.db2.gz GBPQUMIKOXPYMZ-VIQWUECVSA-N 2 0 352.567 3.046 20 0 FGADRP O=C([C@@H]1CCC[N@@H+]1C1CC1)N1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000426672627 500304707 /nfs/dbraw/zinc/30/47/07/500304707.db2.gz SBIROOONAGJOGC-GMAHTHKFSA-N 2 0 367.537 3.128 20 0 FGADRP C([NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)C1(CN2CCOCC2)CCCCC1 ZINC000422845302 500305021 /nfs/dbraw/zinc/30/50/21/500305021.db2.gz BNVSIWYRAKRNJT-PWRODBHTSA-N 2 0 363.590 3.170 20 0 FGADRP COc1ccccc1N1CC[C@H](C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)C1 ZINC000422851671 500306133 /nfs/dbraw/zinc/30/61/33/500306133.db2.gz PKSATYBRCLQWHR-FUMNGEBKSA-N 2 0 357.542 3.422 20 0 FGADRP O=C(c1ccccc1F)N1CCC([NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)CC1 ZINC000422861165 500306495 /nfs/dbraw/zinc/30/64/95/500306495.db2.gz MJNCBOPJDIJAQH-SESVDKBCSA-N 2 0 373.516 3.331 20 0 FGADRP C[NH2+]CC1CC[NH+]([C@H](C)C(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)CC1 ZINC000430918544 500306561 /nfs/dbraw/zinc/30/65/61/500306561.db2.gz HTWNFEDQQWBXAO-DLBZAZTESA-N 2 0 357.542 3.063 20 0 FGADRP COc1ccc(C(C)(C)C[NH2+][C@H](C)c2ccc(C[NH3+])nc2C)cc1OC ZINC000422865330 500307114 /nfs/dbraw/zinc/30/71/14/500307114.db2.gz XSMYFFVCUQRONZ-CQSZACIVSA-N 2 0 357.498 3.494 20 0 FGADRP CCCCOc1ccc(C[NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)cc1OC ZINC000422868614 500307299 /nfs/dbraw/zinc/30/72/99/500307299.db2.gz VRWQGCWWHXVURK-CEXWTWQISA-N 2 0 362.514 3.121 20 0 FGADRP C[NH2+]CC1CC[NH+]([C@H](C)C(=O)N[C@@H](C)c2cccc3ccccc32)CC1 ZINC000430925718 500307890 /nfs/dbraw/zinc/30/78/90/500307890.db2.gz MDCQKUMCARQUSF-DLBZAZTESA-N 2 0 353.510 3.337 20 0 FGADRP C[C@@H](C[C@H]1COCCN1)[NH2+]Cc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000422875601 500308859 /nfs/dbraw/zinc/30/88/59/500308859.db2.gz FEIUNROMUVACSW-WEMPKCCASA-N 2 0 359.558 3.021 20 0 FGADRP COc1ccc(CC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)cc1OC(F)F ZINC000422877577 500309590 /nfs/dbraw/zinc/30/95/90/500309590.db2.gz IBXNTEPDAWGLAJ-ARFHVFGLSA-N 2 0 354.441 3.349 20 0 FGADRP C[C@H](CCC[NH3+])[NH2+]CC1(c2ccc(Br)cc2)CCOCC1 ZINC000422883868 500310130 /nfs/dbraw/zinc/31/01/30/500310130.db2.gz VTMOWRFHQDHSPU-CQSZACIVSA-N 2 0 355.320 3.214 20 0 FGADRP C[C@H](CCCC[NH3+])NC(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000418712571 500311309 /nfs/dbraw/zinc/31/13/09/500311309.db2.gz WHWGDFKLKHQSQJ-GOSISDBHSA-N 2 0 368.525 3.185 20 0 FGADRP CCOC(=O)C1([C@H](C)[NH2+][C@@H](C)c2ccc(OC(C)C)cc2)CC[NH2+]CC1 ZINC000422888946 500311812 /nfs/dbraw/zinc/31/18/12/500311812.db2.gz DZHKIUKSHYXDMR-IRXDYDNUSA-N 2 0 362.514 3.446 20 0 FGADRP COc1ccc(C2(C[NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)CCOCC2)cc1 ZINC000422897135 500312836 /nfs/dbraw/zinc/31/28/36/500312836.db2.gz JCQLLYGVOQQLRM-QHAWAJNXSA-N 2 0 358.526 3.254 20 0 FGADRP C[C@H]1C[N@H+](CCC(=O)Nc2ccccc2Oc2ccccc2)CC[C@@H]1[NH3+] ZINC000430966430 500314321 /nfs/dbraw/zinc/31/43/21/500314321.db2.gz OSVPDWFHBMZDOI-WMZOPIPTSA-N 2 0 353.466 3.477 20 0 FGADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+][C@@H]1CCCN(Cc2ccc(F)cc2Cl)C1 ZINC000422906769 500314748 /nfs/dbraw/zinc/31/47/48/500314748.db2.gz KIORKMYJESBENT-BJZITVGISA-N 2 0 353.913 3.421 20 0 FGADRP CC[NH+]1CCN(Cc2ccc(N[C@H]3C[C@@H]([NH3+])c4ccccc43)cc2)CC1 ZINC000422916283 500316168 /nfs/dbraw/zinc/31/61/68/500316168.db2.gz DFJRVIYQJGYABN-YADHBBJMSA-N 2 0 350.510 3.381 20 0 FGADRP COc1cc(OC)cc(OCCC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)c1 ZINC000422929018 500318496 /nfs/dbraw/zinc/31/84/96/500318496.db2.gz NXZLDZSNDBQFKW-PWRODBHTSA-N 2 0 362.514 3.373 20 0 FGADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]C1CCN(C(=O)NC2CCCCC2)CC1 ZINC000422952591 500322355 /nfs/dbraw/zinc/32/23/55/500322355.db2.gz BKYQSVJXOFDSLM-LAUBAEHRSA-N 2 0 372.557 3.041 20 0 FGADRP O=c1ccccn1Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)cc1 ZINC000422949397 500322810 /nfs/dbraw/zinc/32/28/10/500322810.db2.gz TZFDENHSJBXQJO-YPAWHYETSA-N 2 0 365.521 3.297 20 0 FGADRP CCc1noc(-c2ccc(CC[NH2+][C@H](Cc3ccccc3)[C@H](C)[NH3+])cc2)n1 ZINC000422952797 500323067 /nfs/dbraw/zinc/32/30/67/500323067.db2.gz DJHANLPNESVEEY-OXJNMPFZSA-N 2 0 364.493 3.390 20 0 FGADRP C[C@@H]1CC[N@H+](CCOc2ccc(NC(=O)[C@@H]3C[C@H]4CCCC[C@H]4[NH2+]3)cc2)C1 ZINC000431018977 500324415 /nfs/dbraw/zinc/32/44/15/500324415.db2.gz ZEOMPCWULQLQMW-DGQTTZFYSA-N 2 0 371.525 3.266 20 0 FGADRP CCOC(=O)C1([C@@H](C)[NH2+]Cc2ccc(-c3ccccc3)o2)CC[NH2+]CC1 ZINC000422967135 500324969 /nfs/dbraw/zinc/32/49/69/500324969.db2.gz BGGWTUZFWQLMFP-MRXNPFEDSA-N 2 0 356.466 3.358 20 0 FGADRP C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)c1ccc2c(ccn2CCC[NH3+])c1 ZINC000431059787 500329730 /nfs/dbraw/zinc/32/97/30/500329730.db2.gz CGSDPGKQXMMONZ-KZNAEPCWSA-N 2 0 370.541 3.086 20 0 FGADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H](CC(C)C)C(=O)Nc1nccs1 ZINC000423013207 500330981 /nfs/dbraw/zinc/33/09/81/500330981.db2.gz FKRMKKIGLDGGFD-BBRMVZONSA-N 2 0 361.515 3.009 20 0 FGADRP CCOC(=O)C1([C@@H](C)[NH2+]Cc2cccc(-c3cccnc3)c2)CC[NH2+]CC1 ZINC000423044117 500334401 /nfs/dbraw/zinc/33/44/01/500334401.db2.gz AWMGFADHAOSEIM-QGZVFWFLSA-N 2 0 367.493 3.160 20 0 FGADRP COC(=O)c1csc(-c2cccc(C[NH2+][C@H]3CCCCC[C@H]3[NH3+])c2)n1 ZINC000423082203 500339684 /nfs/dbraw/zinc/33/96/84/500339684.db2.gz WMMNAMOKEHYHOO-CVEARBPZSA-N 2 0 359.495 3.346 20 0 FGADRP FC(F)(F)C1CCN(C2CC([NH2+][C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)C2)CC1 ZINC000423087749 500340706 /nfs/dbraw/zinc/34/07/06/500340706.db2.gz QGJBDAWMBAODSX-NHHFINERSA-N 2 0 359.480 3.302 20 0 FGADRP COCCC[C@H](C[NH2+][C@@H]1CCOC[C@@H]1[C@@H](C)[NH3+])c1ccc(Cl)cc1 ZINC000423111097 500343924 /nfs/dbraw/zinc/34/39/24/500343924.db2.gz VSWJIQPJBCGFLT-YCEFEEMOSA-N 2 0 354.922 3.192 20 0 FGADRP COC[C@@H](CCC[NH3+])[NH2+][C@H]1c2cccc(Br)c2CC1(C)C ZINC000423123465 500345305 /nfs/dbraw/zinc/34/53/05/500345305.db2.gz DTHLSOLJPFXMSY-WBMJQRKESA-N 2 0 355.320 3.416 20 0 FGADRP O=S(=O)(CCC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)c1ccc(Cl)cc1 ZINC000423143880 500347770 /nfs/dbraw/zinc/34/77/70/500347770.db2.gz FHNQFJYLTNNYCW-KURKYZTESA-N 2 0 370.946 3.014 20 0 FGADRP CC[C@H](COCC(F)(F)F)[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423148390 500348573 /nfs/dbraw/zinc/34/85/73/500348573.db2.gz VMDKEARMZXASDG-UKPHBRMFSA-N 2 0 358.404 3.189 20 0 FGADRP CCCOc1c(OC)cc(CC[NH2+][C@H]2CCCC[C@H]2C[NH3+])cc1OC ZINC000423160199 500349734 /nfs/dbraw/zinc/34/97/34/500349734.db2.gz ZDSBMARTYGKUIT-IRXDYDNUSA-N 2 0 350.503 3.142 20 0 FGADRP Cc1c(Br)cccc1C[C@H](CO)C[NH2+][C@H](C)CCCC[NH3+] ZINC000423168789 500350289 /nfs/dbraw/zinc/35/02/89/500350289.db2.gz YOZHRZFIDSOIEF-HIFRSBDPSA-N 2 0 357.336 3.016 20 0 FGADRP CCOC(=O)C1([C@H](C)[NH2+][C@@H]2C[C@H]2c2c(F)cccc2Cl)CC[NH2+]CC1 ZINC000423170278 500351364 /nfs/dbraw/zinc/35/13/64/500351364.db2.gz LNPLHRZNAAPFOR-WOSRLPQWSA-N 2 0 368.880 3.246 20 0 FGADRP COc1ccc([C@H](Cc2ccc(F)cc2)[NH2+]CCCN2CC[NH2+]CC2)cc1 ZINC000423183056 500352320 /nfs/dbraw/zinc/35/23/20/500352320.db2.gz RBFABAFAETYVSM-QFIPXVFZSA-N 2 0 371.500 3.003 20 0 FGADRP C[C@H]([NH2+]CCN1CC[NH2+]CC1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000423209790 500355417 /nfs/dbraw/zinc/35/54/17/500355417.db2.gz VQQSTHNBWOPXHL-NSHDSACASA-N 2 0 369.353 3.280 20 0 FGADRP C[C@@H](CCc1ccc(I)cc1)[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000423218784 500356226 /nfs/dbraw/zinc/35/62/26/500356226.db2.gz WBJFOMHALRYLTK-ZFWWWQNUSA-N 2 0 372.294 3.202 20 0 FGADRP Cc1ccccc1[C@@H](CN1CCOCC1)[NH2+]Cc1ccc([C@@H](C)[NH3+])cc1 ZINC000423290052 500361662 /nfs/dbraw/zinc/36/16/62/500361662.db2.gz CCRFCIFLGUPOBG-XMSQKQJNSA-N 2 0 353.510 3.178 20 0 FGADRP CC(C)(C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]([NH3+])c1ccccc1 ZINC000423301038 500362729 /nfs/dbraw/zinc/36/27/29/500362729.db2.gz FEKPSDJUTNSKOS-PMACEKPBSA-N 2 0 351.494 3.103 20 0 FGADRP C[C@H]([NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc2ccccc2c1 ZINC000423372178 500368489 /nfs/dbraw/zinc/36/84/89/500368489.db2.gz AWZOMQFEGOCDSP-KBXCAEBGSA-N 2 0 351.416 3.327 20 0 FGADRP CC(C)[C@@H]([NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc(F)c(F)c1 ZINC000423391014 500369620 /nfs/dbraw/zinc/36/96/20/500369620.db2.gz OYOSDJUXEDOZHS-JKSUJKDBSA-N 2 0 365.390 3.088 20 0 FGADRP Cc1nc(C(C)C)sc1[C@@H](C)[NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000423399698 500370271 /nfs/dbraw/zinc/37/02/71/500370271.db2.gz WOLIPPHMLCIPCW-DGCLKSJQSA-N 2 0 364.481 3.062 20 0 FGADRP C[C@H]([NH2+][C@@H]1CC[NH2+]C[C@@H]1C)c1ccc(OC[C@@H]2CCCCO2)c(F)c1 ZINC000423399652 500370464 /nfs/dbraw/zinc/37/04/64/500370464.db2.gz PSPPDFSVWWQKSZ-RIVXBTQJSA-N 2 0 350.478 3.422 20 0 FGADRP COCC1(C[NH2+][C@H]2CCc3c2c(Br)ccc3F)CC[NH2+]CC1 ZINC000423406166 500370982 /nfs/dbraw/zinc/37/09/82/500370982.db2.gz KEJOWMABXCFFNL-HNNXBMFYSA-N 2 0 371.294 3.181 20 0 FGADRP COCC1(C[NH2+][C@H]2CCc3sc(Br)cc32)CC[NH2+]CC1 ZINC000423410218 500371554 /nfs/dbraw/zinc/37/15/54/500371554.db2.gz RMIBEYMMJFKIGV-LBPRGKRZSA-N 2 0 359.333 3.104 20 0 FGADRP COCC1(C[NH2+]C2CCC([N@H+](C)Cc3ccccc3)CC2)CC[NH2+]CC1 ZINC000423409568 500371772 /nfs/dbraw/zinc/37/17/72/500371772.db2.gz QLIBESDOPKWHOP-UHFFFAOYSA-N 3 0 359.558 3.035 20 0 FGADRP COCC1(C[NH2+]C2CC[NH+](C(C)(C)CC(C)(C)C)CC2)CC[NH2+]CC1 ZINC000423412343 500372574 /nfs/dbraw/zinc/37/25/74/500372574.db2.gz WQGBXCNFYBPPPN-UHFFFAOYSA-N 3 0 353.595 3.271 20 0 FGADRP COCC1(C[NH2+][C@@H](c2cccnc2)c2ccc(F)cc2F)CC[NH2+]CC1 ZINC000423412945 500372697 /nfs/dbraw/zinc/37/26/97/500372697.db2.gz XSEMXENXXDQYCE-IBGZPJMESA-N 2 0 361.436 3.055 20 0 FGADRP C[C@H](CCCC[NH3+])[NH2+][C@H]1CCCC[C@@H](N2C(=O)c3ccccc3C2=O)C1 ZINC000423422116 500373606 /nfs/dbraw/zinc/37/36/06/500373606.db2.gz CUGJPEGIWBRUAV-IXDOHACOSA-N 2 0 357.498 3.091 20 0 FGADRP O=C1c2ccccc2C(=O)N1[C@@H]1CCCC[C@@H]([NH2+]CCC[C@@H]2CCC[NH2+]2)C1 ZINC000423470989 500376668 /nfs/dbraw/zinc/37/66/68/500376668.db2.gz DSBHJYXLSUUCAH-RCCFBDPRSA-N 2 0 369.509 3.106 20 0 FGADRP C[C@H](CCc1ccc(I)cc1)[NH2+][C@@H]1CC[C@H](C[NH3+])C1 ZINC000423501280 500379846 /nfs/dbraw/zinc/37/98/46/500379846.db2.gz JGMBDOQFHIJFAN-IVMMDQJWSA-N 2 0 372.294 3.329 20 0 FGADRP C[C@@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)c1ccc(F)cc1OC(F)F ZINC000423511612 500380190 /nfs/dbraw/zinc/38/01/90/500380190.db2.gz NROQBUPPWBSYJP-IUDNXUCKSA-N 2 0 371.447 3.294 20 0 FGADRP C[C@H]([NH2+][C@H](CCC[NH3+])c1ccccc1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000423512030 500380278 /nfs/dbraw/zinc/38/02/78/500380278.db2.gz UFVWUWJWCDHHBK-KBXCAEBGSA-N 2 0 364.486 3.360 20 0 FGADRP CCc1ccccc1[C@H]([NH3+])CN[C@@H](c1ccc(OC)cc1)[C@H]1CCC[NH2+]1 ZINC000423513938 500380953 /nfs/dbraw/zinc/38/09/53/500380953.db2.gz VVVWNKZQKXTJBD-VSKRKVRLSA-N 2 0 353.510 3.340 20 0 FGADRP CC(C)[C@@H](COCc1ccccc1)[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000423513711 500381315 /nfs/dbraw/zinc/38/13/15/500381315.db2.gz RVBDMLPTXAYQFK-LZBANZJXSA-N 2 0 359.558 3.034 20 0 FGADRP Fc1ccc([C@H]([NH2+]C2CCC(N3CC[NH2+]CC3)CC2)c2ccccc2)nc1 ZINC000423525294 500382108 /nfs/dbraw/zinc/38/21/08/500382108.db2.gz YAJAOKBNUQWUNA-QETWGEEDSA-N 2 0 368.500 3.116 20 0 FGADRP COc1ccc([C@@H](C)[NH2+]CC2(N)CC[NH+](Cc3ccccc3)CC2)cc1F ZINC000423577734 500386195 /nfs/dbraw/zinc/38/61/95/500386195.db2.gz SREZBEMTTHJFHJ-QGZVFWFLSA-N 2 0 371.500 3.478 20 0 FGADRP CC1(C(=O)NCc2ccc3c(c2)C[NH2+]C3)CC[NH+](Cc2ccccc2)CC1 ZINC000423583248 500386575 /nfs/dbraw/zinc/38/65/75/500386575.db2.gz BWZRCYOSSLAZQA-UHFFFAOYSA-N 2 0 363.505 3.208 20 0 FGADRP COc1cc([C@H](C)[NH2+]CC2(N)CC[NH+](Cc3ccccc3)CC2)ccc1F ZINC000423580746 500387067 /nfs/dbraw/zinc/38/70/67/500387067.db2.gz YJLPNOAJGFHYAK-KRWDZBQOSA-N 2 0 371.500 3.478 20 0 FGADRP C[C@H]([NH3+])c1ccc(C(=O)N2CCC[N@H+](CCCc3ccccc3)CC2)cc1 ZINC000423749318 500398620 /nfs/dbraw/zinc/39/86/20/500398620.db2.gz RNEQJPGKTXHNMU-IBGZPJMESA-N 2 0 365.521 3.487 20 0 FGADRP [NH3+]CCCC(=O)N(CC[NH+]1CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC000423753206 500399610 /nfs/dbraw/zinc/39/96/10/500399610.db2.gz WZJGFYZGNZDPAM-UHFFFAOYSA-N 2 0 358.313 3.157 20 0 FGADRP CN(C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1)C(=O)C1(C[NH+](C)C)CCCCC1 ZINC000427503775 500399712 /nfs/dbraw/zinc/39/97/12/500399712.db2.gz FSTYYALGRYAQLI-PMACEKPBSA-N 2 0 372.557 3.045 20 0 FGADRP [NH3+]C[C@@H](C(=O)Nc1cccc(CC[NH+]2CCCC2)c1)c1ccc(F)cc1 ZINC000423769155 500400037 /nfs/dbraw/zinc/40/00/37/500400037.db2.gz FWQMDLKRCMQWCR-HXUWFJFHSA-N 2 0 355.457 3.145 20 0 FGADRP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)[C@@H]2CCCCCC[C@@H]2[NH3+])CC1 ZINC000423839857 500409865 /nfs/dbraw/zinc/40/98/65/500409865.db2.gz DNGAERPANBDCKM-AHRSYUTCSA-N 2 0 358.530 3.021 20 0 FGADRP CC[NH+](CC)CCCNC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000431700441 500411003 /nfs/dbraw/zinc/41/10/03/500411003.db2.gz VGTNIQBDYATOSI-AZUAARDMSA-N 2 0 360.546 3.071 20 0 FGADRP CC[C@@]1(C(=O)N2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)CCC[NH2+]1 ZINC000423851959 500411815 /nfs/dbraw/zinc/41/18/15/500411815.db2.gz RFMCPONZQVMDHB-QFIPXVFZSA-N 2 0 355.526 3.033 20 0 FGADRP [NH3+]CC1(C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)CCCC1 ZINC000423900484 500417144 /nfs/dbraw/zinc/41/71/44/500417144.db2.gz KDHRCCNQRWJHLT-UXHICEINSA-N 2 0 355.526 3.019 20 0 FGADRP Cc1cc2c(cc1C)[C@H]([NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1)CCS2 ZINC000427697107 500421639 /nfs/dbraw/zinc/42/16/39/500421639.db2.gz MFFGWABRSQLTBN-FUHWJXTLSA-N 2 0 361.555 3.017 20 0 FGADRP CC[C@H](C(=O)Nc1nc(C2CC[NH2+]CC2)cs1)[N@H+](C)Cc1ccccc1 ZINC000423981552 500429354 /nfs/dbraw/zinc/42/93/54/500429354.db2.gz XKQXYVWSZLMYSN-GOSISDBHSA-N 2 0 372.538 3.459 20 0 FGADRP O=C(N[C@H]1CCC[N@H+](CC[C@@H]2CC[NH2+]C2)C1)c1ccc2ccccc2c1 ZINC000420295022 500435767 /nfs/dbraw/zinc/43/57/67/500435767.db2.gz BUBDXPDCJUEEHC-UWJYYQICSA-N 2 0 351.494 3.034 20 0 FGADRP COc1ccc([C@@H](C[NH3+])C[NH+]2CCC(Oc3ccc(F)cc3)CC2)cc1 ZINC000420301604 500437608 /nfs/dbraw/zinc/43/76/08/500437608.db2.gz LPXMXKBZWNPCQG-KRWDZBQOSA-N 2 0 358.457 3.420 20 0 FGADRP COc1ccc([C@@H](C[NH3+])C[N@H+](C)Cc2ccccc2N2CCCC2)cc1 ZINC000420304895 500437631 /nfs/dbraw/zinc/43/76/31/500437631.db2.gz OWGNHHORDXPJGN-FQEVSTJZSA-N 2 0 353.510 3.470 20 0 FGADRP CC1CCC(CC(=O)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000424019910 500437662 /nfs/dbraw/zinc/43/76/62/500437662.db2.gz NFGYLWZGGIFAGZ-UHFFFAOYSA-N 2 0 357.542 3.313 20 0 FGADRP C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2ccnc(-c3ccc(Br)cc3)n2)C1 ZINC000420306456 500438523 /nfs/dbraw/zinc/43/85/23/500438523.db2.gz LBBTYRGJEJVCNS-JSGCOSHPSA-N 2 0 361.287 3.075 20 0 FGADRP COc1ccc([C@@H](C[NH3+])C[N@@H+]2CCC[C@H](C(=O)c3ccc(F)cc3)C2)cc1 ZINC000420310538 500439085 /nfs/dbraw/zinc/43/90/85/500439085.db2.gz VDKVOJJWQUVEBU-OALUTQOASA-N 2 0 370.468 3.472 20 0 FGADRP C[NH+](C)[C@@H](CC(=O)NCCC[N@@H+]1CCc2ccccc2C1)c1ccccc1 ZINC000431894845 500440386 /nfs/dbraw/zinc/44/03/86/500440386.db2.gz VICVZTSOGFVMRA-QFIPXVFZSA-N 2 0 365.521 3.244 20 0 FGADRP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)c1cccc(C[N@H+](C)Cc2ccccc2)c1 ZINC000424047725 500443350 /nfs/dbraw/zinc/44/33/50/500443350.db2.gz VXTTVBNNSMSLMT-UWJYYQICSA-N 2 0 351.494 3.189 20 0 FGADRP CCc1ccc([C@H](C)NC(=O)[C@H](C)[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000420331430 500443479 /nfs/dbraw/zinc/44/34/79/500443479.db2.gz BXORDXZSRLBSFW-ZCLUNYJNSA-N 2 0 357.542 3.136 20 0 FGADRP C[C@H](NC(=O)[C@H](C)[NH+]1CCC([C@H]2CCC[NH2+]2)CC1)c1ccc(Cl)cc1 ZINC000420342415 500445107 /nfs/dbraw/zinc/44/51/07/500445107.db2.gz PINZQJHCEYHOND-YZVOILCLSA-N 2 0 363.933 3.370 20 0 FGADRP Cc1c(Br)cccc1C[NH+]1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000420374649 500450346 /nfs/dbraw/zinc/45/03/46/500450346.db2.gz HSVQUFXHRPFYDE-ROUUACIJSA-N 2 0 367.331 3.476 20 0 FGADRP [NH3+][C@H]1CCCO[C@@H]1C1CC[NH+](CCOc2ccc(C(F)(F)F)cc2)CC1 ZINC000420389029 500453557 /nfs/dbraw/zinc/45/35/57/500453557.db2.gz XSYVFOZQEDZKKH-ZWKOTPCHSA-N 2 0 372.431 3.303 20 0 FGADRP C[C@@H]([NH2+]CC[C@@H]1CCC[NH2+]C1)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000420416918 500457716 /nfs/dbraw/zinc/45/77/16/500457716.db2.gz WBFZKOPLBHILTK-SJORKVTESA-N 2 0 352.482 3.374 20 0 FGADRP CC(C)n1cncc1C[NH2+]Cc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000424158229 500462034 /nfs/dbraw/zinc/46/20/34/500462034.db2.gz QXSPIHSQWLTDLD-ROUUACIJSA-N 2 0 356.514 3.363 20 0 FGADRP O[C@@H]1CCC[C@@H]1[NH+]1CCC([NH2+][C@@H](Cc2ccncc2)c2cccs2)CC1 ZINC000424277800 500480547 /nfs/dbraw/zinc/48/05/47/500480547.db2.gz CLEYLONGLSAQJK-SLFFLAALSA-N 2 0 371.550 3.394 20 0 FGADRP C[C@H]1CC2(C[N@@H+]1CCC(=O)Nc1ccc(Cl)cc1F)CC[NH2+]CC2 ZINC000424284730 500481057 /nfs/dbraw/zinc/48/10/57/500481057.db2.gz DWLKTSJNJBUWNX-ZDUSSCGKSA-N 2 0 353.869 3.272 20 0 FGADRP CCC[NH+]1CCN(c2ccccc2C[N@@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)CC1 ZINC000424375064 500492923 /nfs/dbraw/zinc/49/29/23/500492923.db2.gz JFDIWZIJBZYUPJ-HXUWFJFHSA-N 3 0 370.585 3.183 20 0 FGADRP Cc1cc(C[NH3+])cc(NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000424430917 500503478 /nfs/dbraw/zinc/50/34/78/500503478.db2.gz DVPAFHYBGNTXHB-UWJYYQICSA-N 2 0 366.509 3.486 20 0 FGADRP Cc1cccc(CN(CC[NH+](C)C)C(=O)Nc2cc(C)cc(C[NH3+])c2)c1 ZINC000424434363 500504712 /nfs/dbraw/zinc/50/47/12/500504712.db2.gz JPOBZWBFHRWQRW-UHFFFAOYSA-N 2 0 354.498 3.358 20 0 FGADRP COCCCN(C)CC[NH2+]C1CC(c2cccc(Br)c2)C1 ZINC000432422334 500514422 /nfs/dbraw/zinc/51/44/22/500514422.db2.gz SQZSXKXILZICNP-UHFFFAOYSA-N 2 0 355.320 3.253 20 0 FGADRP CC[NH+](CC)[C@@H](C(=O)N1CCC[C@@H](C[NH3+])C1)c1cccc(C(F)(F)F)c1 ZINC000428522049 500519904 /nfs/dbraw/zinc/51/99/04/500519904.db2.gz ABVFGDBQIOQJQB-WMLDXEAASA-N 2 0 371.447 3.286 20 0 FGADRP C[C@@H]1CN(C(=O)NC2CCC([NH+](C)C)CC2)CC[N@H+](Cc2ccccc2)C1 ZINC000420888840 500523035 /nfs/dbraw/zinc/52/30/35/500523035.db2.gz HMPDPBQEMWVRQB-PELRDEGISA-N 2 0 372.557 3.023 20 0 FGADRP C[NH2+]Cc1ccccc1NC(=O)c1ccc(C[NH+]2CCSCC2)cc1 ZINC000428558929 500526930 /nfs/dbraw/zinc/52/69/30/500526930.db2.gz ONDCWKTYMKIFFC-UHFFFAOYSA-N 2 0 355.507 3.207 20 0 FGADRP CC[NH+](CC)[C@@H](C(=O)NC[C@@H]1CCC[NH2+]C1)c1cccc(C(F)(F)F)c1 ZINC000428593434 500530969 /nfs/dbraw/zinc/53/09/69/500530969.db2.gz LSAQRSYHQOENTN-RHSMWYFYSA-N 2 0 371.447 3.204 20 0 FGADRP [NH3+][C@H]1CCCC[C@@H]1CC(=O)Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1 ZINC000573482080 506201747 /nfs/dbraw/zinc/20/17/47/506201747.db2.gz FDTVDSXEMGPWIQ-NQIIRXRSSA-N 2 0 370.541 3.065 20 0 FGADRP CC[NH+]1CCC(N2CCC[N@@H+]([C@@H](CCOC)c3ccccc3)CC2)CC1 ZINC000420975967 500545978 /nfs/dbraw/zinc/54/59/78/500545978.db2.gz GKAQUNCTOXHQJX-QFIPXVFZSA-N 2 0 359.558 3.256 20 0 FGADRP CC[NH+]1CCC(N2CCC[N@H+](CCC(=O)c3ccc(C)cc3)CC2)CC1 ZINC000420982037 500547841 /nfs/dbraw/zinc/54/78/41/500547841.db2.gz OIBCEJOKELKPQB-UHFFFAOYSA-N 2 0 357.542 3.060 20 0 FGADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NCc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000573483090 506202260 /nfs/dbraw/zinc/20/22/60/506202260.db2.gz IPPKZFHEFURJLC-VXKWHMMOSA-N 2 0 365.521 3.420 20 0 FGADRP C[C@@H]([NH2+]CCCN1CC[NH+](Cc2ccccc2)CC1)c1cccc(O)c1 ZINC000442717647 500614205 /nfs/dbraw/zinc/61/42/05/500614205.db2.gz JWCYRPUHWXKZQV-LJQANCHMSA-N 2 0 353.510 3.251 20 0 FGADRP [NH3+]C1CC[NH+](CCCC(=O)N2Cc3ccccc3-c3ccccc3C2)CC1 ZINC000433126935 500631423 /nfs/dbraw/zinc/63/14/23/500631423.db2.gz QKDZCWZCIISOGE-UHFFFAOYSA-N 2 0 363.505 3.399 20 0 FGADRP [NH3+]C1CC[NH+](CCCC(=O)N[C@H](c2ccccc2)c2ccc(F)cc2)CC1 ZINC000433143016 500634393 /nfs/dbraw/zinc/63/43/93/500634393.db2.gz GLTJRDHJCYNUBZ-JOCHJYFZSA-N 2 0 369.484 3.235 20 0 FGADRP C[C@@H](NC(=O)CCC[NH+]1CCC([NH3+])CC1)c1cccc(C(F)(F)F)c1 ZINC000433151133 500635165 /nfs/dbraw/zinc/63/51/65/500635165.db2.gz HSNNFAQLIHBLMW-CYBMUJFWSA-N 2 0 357.420 3.086 20 0 FGADRP COc1ccccc1[C@H](CC(C)C)NC(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433154718 500635841 /nfs/dbraw/zinc/63/58/41/500635841.db2.gz UNMGQMLVKYVKAO-IBGZPJMESA-N 2 0 361.530 3.102 20 0 FGADRP COc1ccc2oc([C@H](C)[NH2+]CCN3CC[N@H+](C)C(C)(C)C3)c(C)c2c1 ZINC000442879522 500638617 /nfs/dbraw/zinc/63/86/17/500638617.db2.gz WNLFBWLHUIHDTJ-INIZCTEOSA-N 2 0 359.514 3.426 20 0 FGADRP C[C@@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)c1ccc(Br)cc1F ZINC000442877611 500638952 /nfs/dbraw/zinc/63/89/52/500638952.db2.gz RHEPIPURXYMDFP-CYBMUJFWSA-N 2 0 372.326 3.265 20 0 FGADRP [NH3+]C1CC[NH+](CCCC(=O)Nc2cccc(CCC(F)(F)F)c2)CC1 ZINC000433174963 500639047 /nfs/dbraw/zinc/63/90/47/500639047.db2.gz KMTZFQASEPOFTL-UHFFFAOYSA-N 2 0 357.420 3.323 20 0 FGADRP COc1ccc(OCc2ccccn2)c(C[N@@H+]2CCC[C@@H](CC[NH3+])C2)c1 ZINC000442917965 500646354 /nfs/dbraw/zinc/64/63/54/500646354.db2.gz BSHBMVGMSFYQPU-KRWDZBQOSA-N 2 0 355.482 3.230 20 0 FGADRP COc1ccc(C[N@@H+]2CCC[C@H](CC[NH3+])C2)cc1OCc1cccnc1 ZINC000442932602 500648716 /nfs/dbraw/zinc/64/87/16/500648716.db2.gz YDKCWMMLUGDZPX-QGZVFWFLSA-N 2 0 355.482 3.230 20 0 FGADRP [NH3+]CC[C@H]1CCC[N@H+](CCC(=O)N[C@H](c2cccs2)c2ccccc2)C1 ZINC000443057760 500670201 /nfs/dbraw/zinc/67/02/01/500670201.db2.gz LDENMZYTPDFOAW-UTKZUKDTSA-N 2 0 371.550 3.405 20 0 FGADRP COc1ccc(C[N@@H+]2CCC[C@H](CC[NH3+])C2)c(Br)c1OC ZINC000443060195 500671363 /nfs/dbraw/zinc/67/13/63/500671363.db2.gz OMNZZOSOXHBZTC-GFCCVEGCSA-N 2 0 357.292 3.027 20 0 FGADRP [NH3+]CC[C@H]1CCC[N@H+](Cc2nc(-c3cccc(C(F)(F)F)c3)no2)C1 ZINC000443064327 500672626 /nfs/dbraw/zinc/67/26/26/500672626.db2.gz XYQZSCPJSURHPE-GFCCVEGCSA-N 2 0 354.376 3.316 20 0 FGADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@]23CCC[C@@H]2C[NH+](Cc2ccccc2)C3)C1 ZINC000443296607 500705780 /nfs/dbraw/zinc/70/57/80/500705780.db2.gz PKLURDRXNMFCJV-QZNHQXDQSA-N 2 0 369.553 3.089 20 0 FGADRP O=C(Nc1ccc2c(c1)C[NH2+]CC2)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000573546838 506210621 /nfs/dbraw/zinc/21/06/21/506210621.db2.gz UBUNQSUJTCTPJV-NRFANRHFSA-N 2 0 364.493 3.291 20 0 FGADRP C[N@H+](CC[C@H]1CCCC[NH+]1C)C[C@H](O)Cc1ccccc1C(F)(F)F ZINC000443615083 500746035 /nfs/dbraw/zinc/74/60/35/500746035.db2.gz HZJRPSZVZMPZAA-IAGOWNOFSA-N 2 0 358.448 3.415 20 0 FGADRP CC(C)(C)NC(=O)C[NH+]1CCC(C[NH2+]Cc2ccc(Cl)cc2F)CC1 ZINC000438181138 500751057 /nfs/dbraw/zinc/75/10/57/500751057.db2.gz DKLNEAWZLJIZBL-UHFFFAOYSA-N 2 0 369.912 3.195 20 0 FGADRP C[NH+]1CCC2(CCCN2C(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)CC1 ZINC000438319470 500768806 /nfs/dbraw/zinc/76/88/06/500768806.db2.gz HNSQHDZJCGTRAE-IBGZPJMESA-N 2 0 362.562 3.053 20 0 FGADRP C[C@@H]([NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1)[C@@H]1C[C@H]1c1ccccc1 ZINC000570742366 506216270 /nfs/dbraw/zinc/21/62/70/506216270.db2.gz GGANWMZBYBQDKH-WTNAPCKOSA-N 2 0 365.521 3.260 20 0 FGADRP Cc1ccc2[nH]c3c(c2c1)CCC[C@H]3[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000438835114 500824648 /nfs/dbraw/zinc/82/46/48/500824648.db2.gz KCIZMYBCCNWNQK-OAQYLSRUSA-N 2 0 354.542 3.469 20 0 FGADRP C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)NCC[C@H]2CCC[NH2+]2)c1 ZINC000444263761 500826600 /nfs/dbraw/zinc/82/66/00/500826600.db2.gz FOCBAIJKIANHCT-OAQYLSRUSA-N 2 0 351.494 3.191 20 0 FGADRP CC[N@H+](Cc1ccc(C(=O)NC[C@@H]2CCCC[NH+]2C2CC2)cc1)C1CC1 ZINC000434420831 500840559 /nfs/dbraw/zinc/84/05/59/500840559.db2.gz IILVFWAETOLVLQ-NRFANRHFSA-N 2 0 355.526 3.418 20 0 FGADRP O=C(NC[C@@H]1CCCC[N@@H+]1C1CC1)[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000434445433 500844120 /nfs/dbraw/zinc/84/41/20/500844120.db2.gz OESCNDLBYMBEJB-CTNGQTDRSA-N 2 0 355.526 3.032 20 0 FGADRP CC(C)[C@H](c1ccc(F)cc1)[N@H+](C)CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000434619888 500866899 /nfs/dbraw/zinc/86/68/99/500866899.db2.gz HFNZVJLUHXAEDE-OAQYLSRUSA-N 2 0 363.521 3.444 20 0 FGADRP COc1cccc2c(C[NH+]3CCN(C[C@H]4CCCC[N@@H+]4C)CC3)cccc12 ZINC000449024248 500901291 /nfs/dbraw/zinc/90/12/91/500901291.db2.gz ZOWIRSRORQKCGG-HXUWFJFHSA-N 2 0 367.537 3.450 20 0 FGADRP CC(C)C[N@@H+]1CCO[C@H](CNC2CC[NH+]([C@@H](C)Cc3ccccc3)CC2)C1 ZINC000449058824 500913813 /nfs/dbraw/zinc/91/38/13/500913813.db2.gz MHFGMWSDTDRNMP-NZQKXSOJSA-N 2 0 373.585 3.028 20 0 FGADRP COc1cc(C)ccc1C[NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000449057738 500913916 /nfs/dbraw/zinc/91/39/16/500913916.db2.gz DPLOENGZBBASGG-UHFFFAOYSA-N 2 0 354.494 3.250 20 0 FGADRP COCC1CCC([NH2+]CCCC[NH+]2CCN(Cc3ccccc3)CC2)CC1 ZINC000449087455 500921807 /nfs/dbraw/zinc/92/18/07/500921807.db2.gz GBHKRGCXZQIXQC-UHFFFAOYSA-N 2 0 373.585 3.379 20 0 FGADRP C[C@@H]1[C@@H](NC(=O)N(CC[NH+](C)C)C2CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000582439979 506224332 /nfs/dbraw/zinc/22/43/32/506224332.db2.gz YLYWZOZEFAJTAV-NQIIRXRSSA-N 2 0 372.557 3.165 20 0 FGADRP COc1cc2ccccc2cc1C[NH2+]C1CCN(C2CC[NH+](C)CC2)CC1 ZINC000449107920 500927508 /nfs/dbraw/zinc/92/75/08/500927508.db2.gz PBZMXDCCVVCKPI-UHFFFAOYSA-N 2 0 367.537 3.497 20 0 FGADRP C[NH+](C)CCOc1ccc(CC[NH2+]Cc2ccnn2C2CCCC2)cc1 ZINC000449126230 500930950 /nfs/dbraw/zinc/93/09/50/500930950.db2.gz LQOQTKCLPSAZLI-UHFFFAOYSA-N 2 0 356.514 3.271 20 0 FGADRP CC1(C)CCC[N@H+](CCNC(=O)NCCCCC[NH+]2CCCCC2)C1 ZINC000445131139 500947463 /nfs/dbraw/zinc/94/74/63/500947463.db2.gz FTSHLRDMURNMHO-UHFFFAOYSA-N 2 0 352.567 3.064 20 0 FGADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449247612 500956783 /nfs/dbraw/zinc/95/67/83/500956783.db2.gz GYCVDEPWNRHEPG-LJQANCHMSA-N 3 0 366.638 3.281 20 0 FGADRP C[NH2+]CCC1CC[NH+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)CC1 ZINC000435372527 500961505 /nfs/dbraw/zinc/96/15/05/500961505.db2.gz JZJGOVQDRPOADC-UHFFFAOYSA-N 3 0 358.574 3.039 20 0 FGADRP COc1ccc(C(=O)Nc2cccc(C[N@@H+]3C[C@H](C[NH3+])C[C@@H]3C)c2)cc1 ZINC000435370266 500961586 /nfs/dbraw/zinc/96/15/86/500961586.db2.gz IFMDPYOWOMVDJH-RDJZCZTQSA-N 2 0 353.466 3.117 20 0 FGADRP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@H](CO)Cc2ccccc2)CC1 ZINC000449266708 500961666 /nfs/dbraw/zinc/96/16/66/500961666.db2.gz WSLHJSLREHKHMD-CVDCTZTESA-N 2 0 352.522 3.275 20 0 FGADRP COc1ccc(C[NH+]2CCC([C@H](C)[NH3+])CC2)cc1OCc1cccnc1 ZINC000435376061 500962782 /nfs/dbraw/zinc/96/27/82/500962782.db2.gz PGOLDNYSVLKBFQ-INIZCTEOSA-N 2 0 355.482 3.228 20 0 FGADRP C[C@@H]([NH3+])C1CC[NH+](Cc2cc(Cl)ccc2OC[C@H]2CCCO2)CC1 ZINC000435381445 500964633 /nfs/dbraw/zinc/96/46/33/500964633.db2.gz WJDSNBYZUMTZPU-RDTXWAMCSA-N 2 0 352.906 3.457 20 0 FGADRP COc1ccc(-n2cc(C[N@@H+]3CC[C@@H](C4CC[NH+](C)CC4)C3)cn2)cc1 ZINC000449325040 500977431 /nfs/dbraw/zinc/97/74/31/500977431.db2.gz JGZLCVLPVVCZIP-LJQANCHMSA-N 2 0 354.498 3.045 20 0 FGADRP O=C(Nc1ccc(CC[NH+]2CCCC2)cc1)[C@@]1(c2ccccc2)CC[NH2+]C1 ZINC000449338016 500981280 /nfs/dbraw/zinc/98/12/80/500981280.db2.gz RAIGCGVHKCLJNB-QHCPKHFHSA-N 2 0 363.505 3.195 20 0 FGADRP CC[C@@H](NC(=O)CN(CC)[C@H]1CCC[NH2+]CC1)c1ccc(Cl)cc1 ZINC000435628658 501004532 /nfs/dbraw/zinc/00/45/32/501004532.db2.gz VOZFBAXPCFTJCI-ZWKOTPCHSA-N 2 0 351.922 3.371 20 0 FGADRP CN(c1ccccc1)c1ccc(C[NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)cn1 ZINC000435778076 501027422 /nfs/dbraw/zinc/02/74/22/501027422.db2.gz KYDISZRDUANNIG-OAQYLSRUSA-N 2 0 368.525 3.176 20 0 FGADRP CC[N@@H+]1CC[C@H]([NH2+][C@H]2CCc3nc(-c4ccc(F)cc4F)cn3C2)[C@@H](C)C1 ZINC000449547588 501029589 /nfs/dbraw/zinc/02/95/89/501029589.db2.gz IXBKFLRCUNGAEW-QOKNQOGYSA-N 2 0 374.479 3.463 20 0 FGADRP C[C@H]([NH2+][C@@H]1CCO[C@@H](c2ccnn2C)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000449586668 501038712 /nfs/dbraw/zinc/03/87/12/501038712.db2.gz GMCKTACZPSGGKE-RJJVWVDVSA-N 2 0 368.525 3.140 20 0 FGADRP C[C@H]([NH2+][C@@H]1CCO[C@@H](c2ccnn2C)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000449586667 501038951 /nfs/dbraw/zinc/03/89/51/501038951.db2.gz GMCKTACZPSGGKE-LLMJNHHCSA-N 2 0 368.525 3.140 20 0 FGADRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2cnc(-c3ccccc3)s2)CC1 ZINC000449744616 501072628 /nfs/dbraw/zinc/07/26/28/501072628.db2.gz INSAYXWTUQQSMS-UHFFFAOYSA-N 2 0 358.555 3.316 20 0 FGADRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2ccc(F)cc2Br)CC1 ZINC000449747848 501074484 /nfs/dbraw/zinc/07/44/84/501074484.db2.gz YKMGYXDSVKXRSD-UHFFFAOYSA-N 2 0 372.326 3.094 20 0 FGADRP CO[C@H](Cc1ccccc1)C[NH+]1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000450339780 501094366 /nfs/dbraw/zinc/09/43/66/501094366.db2.gz BTGWUKYRMPARBL-WOIUINJBSA-N 2 0 360.542 3.065 20 0 FGADRP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2CCOc1ccc2ccccc2c1 ZINC000441172054 501098264 /nfs/dbraw/zinc/09/82/64/501098264.db2.gz HAHGVLZRFCGITN-BAGYTPMASA-N 2 0 354.494 3.402 20 0 FGADRP C[N@H+](CCCCCn1nnc(-c2ccccc2)n1)CC[C@H]1CCCC[NH+]1C ZINC000441334509 501121901 /nfs/dbraw/zinc/12/19/01/501121901.db2.gz VZIKVLFJOACJNZ-HXUWFJFHSA-N 2 0 370.545 3.317 20 0 FGADRP C[N@H+](CCNC(=O)C1CC[NH+](CC2=CCCCC2)CC1)Cc1ccccc1 ZINC000450467953 501128897 /nfs/dbraw/zinc/12/88/97/501128897.db2.gz KIRKQSCSAFITJT-UHFFFAOYSA-N 2 0 369.553 3.447 20 0 FGADRP CCN(C(=O)NCC1([NH+](C)C)CCC1)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000446611705 501141743 /nfs/dbraw/zinc/14/17/43/501141743.db2.gz ACGGRCVUJVGGHA-QUCCMNQESA-N 2 0 372.557 3.338 20 0 FGADRP C[NH+](C)CCOc1ccccc1N1CC[NH+](C[C@H]2CCC(F)(F)C2)CC1 ZINC000450560367 501154483 /nfs/dbraw/zinc/15/44/83/501154483.db2.gz GFRSZYJCZJZUBF-KRWDZBQOSA-N 2 0 367.484 3.184 20 0 FGADRP C[C@@H](c1ccccc1)[C@H](O)C[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000450640439 501173175 /nfs/dbraw/zinc/17/31/75/501173175.db2.gz MDPJSPKMELDCSK-PGRDOPGGSA-N 2 0 353.510 3.394 20 0 FGADRP C[C@H]1C[C@H](NC(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)CC[N@@H+]1C ZINC000607722324 506239754 /nfs/dbraw/zinc/23/97/54/506239754.db2.gz YMGCJFKVGVDION-FXAWDEMLSA-N 2 0 358.530 3.319 20 0 FGADRP Cc1cccc(Cl)c1C[N@@H+](C)C[C@@H]1C[C@H](F)CN1Cc1nccn1C ZINC000450807337 501211897 /nfs/dbraw/zinc/21/18/97/501211897.db2.gz GRNGJSLJHTVRPO-HOTGVXAUSA-N 2 0 364.896 3.426 20 0 FGADRP C[NH+](C)CCNC(=O)c1cccc(C[NH2+]C2CCc3ccccc3CC2)c1 ZINC000453091682 501266803 /nfs/dbraw/zinc/26/68/03/501266803.db2.gz MPIFFTWOEZUBPH-UHFFFAOYSA-N 2 0 365.521 3.015 20 0 FGADRP Cc1ccccc1C[N@H+]1CCCN(C(=O)NCC2([NH+](C)C)CCCC2)CC1 ZINC000611647564 506243302 /nfs/dbraw/zinc/24/33/02/506243302.db2.gz VIIQHZMTLJLTEX-UHFFFAOYSA-N 2 0 372.557 3.087 20 0 FGADRP NC(=O)[C@H]1CCC[N@H+](CCC[NH2+][C@H](c2ccc(Cl)cc2)C2CCC2)C1 ZINC000453106646 501270642 /nfs/dbraw/zinc/27/06/42/501270642.db2.gz ZAQXGFCXXYBKMB-HKUYNNGSSA-N 2 0 363.933 3.358 20 0 FGADRP CC[C@H]([NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1)c1ccsc1 ZINC000453107790 501271084 /nfs/dbraw/zinc/27/10/84/501271084.db2.gz MBKAFRXJMNCMGO-SFHVURJKSA-N 2 0 359.543 3.181 20 0 FGADRP Cc1cc([C@H](C)[NH2+]CC2CC[NH+](CC(=O)NC(C)(C)C)CC2)cs1 ZINC000453137025 501276346 /nfs/dbraw/zinc/27/63/46/501276346.db2.gz UUSLQOQSVRNTEZ-HNNXBMFYSA-N 2 0 351.560 3.334 20 0 FGADRP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)NC(C)(C)C[NH+](C)C ZINC000457653755 501278678 /nfs/dbraw/zinc/27/86/78/501278678.db2.gz ONTKPNKRFKUSNX-KRWDZBQOSA-N 2 0 360.546 3.200 20 0 FGADRP CC[NH+](CC)Cc1cccc(CNC(=O)N(C)[C@@H]2CC[N@@H+](C(C)C)C2)c1 ZINC000457670770 501283687 /nfs/dbraw/zinc/28/36/87/501283687.db2.gz OFUSLOAFCJXZGI-HXUWFJFHSA-N 2 0 360.546 3.153 20 0 FGADRP C[NH+](C)CCCC(C)(C)NC(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000457677943 501285164 /nfs/dbraw/zinc/28/51/64/501285164.db2.gz UCVGPMDLQIDPSP-UHFFFAOYSA-N 2 0 360.546 3.202 20 0 FGADRP CC(C)[C@H](CNC(=O)NC(C)(C)CCC[NH+](C)C)[NH+]1CCC(C)CC1 ZINC000457695165 501289207 /nfs/dbraw/zinc/28/92/07/501289207.db2.gz UUNDXJDXIGLQIG-SFHVURJKSA-N 2 0 354.583 3.163 20 0 FGADRP C[C@@H]([NH2+]C[C@H]1CCCCN1CCO)c1ccc(Br)cc1F ZINC000453278850 501306904 /nfs/dbraw/zinc/30/69/04/501306904.db2.gz ZLACRVZZZJRCOF-TZMCWYRMSA-N 2 0 359.283 3.086 20 0 FGADRP Cc1cnc(CC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)cn1 ZINC000453399820 501325142 /nfs/dbraw/zinc/32/51/42/501325142.db2.gz LQHFVRXPOBXJMW-YPAWHYETSA-N 2 0 350.510 3.360 20 0 FGADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)NC(C)(C)CCC[NH+](C)C)C1 ZINC000457933689 501337944 /nfs/dbraw/zinc/33/79/44/501337944.db2.gz QLRNTULQIKSEMQ-IEBWSBKVSA-N 2 0 360.546 3.242 20 0 FGADRP C[C@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)NCCCC[NH+](C)C1CC1 ZINC000455626466 501350546 /nfs/dbraw/zinc/35/05/46/501350546.db2.gz YKNDBIFRXBMCGA-OALUTQOASA-N 2 0 372.557 3.165 20 0 FGADRP C[NH+](C)[C@H]1CCc2cc(NC(=O)N3CC[NH+](C4CCCC4)CC3)ccc21 ZINC000455890623 501407952 /nfs/dbraw/zinc/40/79/52/501407952.db2.gz ZGPQHJLBVLBBEH-FQEVSTJZSA-N 2 0 356.514 3.328 20 0 FGADRP COC(=O)c1cc(CN(CCn2ccnc2)Cc2cccc(Cl)c2)on1 ZINC000602665218 506251350 /nfs/dbraw/zinc/25/13/50/506251350.db2.gz ZSEKPZJHXNWSQD-UHFFFAOYSA-N 2 0 374.828 3.014 20 0 FGADRP C[C@@H](CNC(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C)[NH+]1CCC(C)CC1 ZINC000455947593 501423498 /nfs/dbraw/zinc/42/34/98/501423498.db2.gz XMSPPZVUYDTLPM-OXJNMPFZSA-N 2 0 358.530 3.477 20 0 FGADRP C[N@H+](C[C@H](O)CCc1ccccc1)C1CCN(CCC(F)(F)F)CC1 ZINC000452118531 501438974 /nfs/dbraw/zinc/43/89/74/501438974.db2.gz PGLSWSZTGPKEAK-GOSISDBHSA-N 2 0 358.448 3.329 20 0 FGADRP CCC[C@H]([NH2+]C(C)C)C(=O)NC[C@H](c1ccc(SC)cc1)[NH+](C)C ZINC000452161005 501449070 /nfs/dbraw/zinc/44/90/70/501449070.db2.gz FCPUDVQHVWUZBU-ZWKOTPCHSA-N 2 0 351.560 3.294 20 0 FGADRP C[NH+](C)[C@@H]1CCc2cc(NC(=O)CC3([NH+]4CCOCC4)CCCC3)ccc21 ZINC000456264077 501483784 /nfs/dbraw/zinc/48/37/84/501483784.db2.gz HEUVTFIGFQVZNY-HXUWFJFHSA-N 2 0 371.525 3.209 20 0 FGADRP O=C(NCCCCC[NH+]1CCCC1)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000454241695 501489905 /nfs/dbraw/zinc/48/99/05/501489905.db2.gz RWDZPZDTDYOAFC-OAQYLSRUSA-N 2 0 372.557 3.389 20 0 FGADRP CC[N@H+](CCNC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1)C(C)C ZINC000588271169 506256179 /nfs/dbraw/zinc/25/61/79/506256179.db2.gz YNLCKUJNMKAWCF-UHFFFAOYSA-N 2 0 360.546 3.202 20 0 FGADRP C[NH+](C)CCCC(C)(C)NC(=O)NC[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000458677760 501505785 /nfs/dbraw/zinc/50/57/85/501505785.db2.gz VZNURQACKAJGOM-QFIPXVFZSA-N 2 0 374.573 3.461 20 0 FGADRP C[C@@H](NC(=O)NCCCCC[NH+]1CCCC1)[C@H](c1ccccc1)[NH+](C)C ZINC000458759381 501524488 /nfs/dbraw/zinc/52/44/88/501524488.db2.gz GGPGKKLGOFKNSQ-UYAOXDASSA-N 2 0 360.546 3.243 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H](CC(C)C)C[NH+]2CCCC2)C[C@H]1C ZINC000458933510 501561864 /nfs/dbraw/zinc/56/18/64/501561864.db2.gz IRAAEPDNRJEFHQ-QYZOEREBSA-N 2 0 352.567 3.011 20 0 FGADRP COc1cccc(N2CCC[C@H]([NH2+]C3CCN(c4cc[nH+]cc4)CC3)C2)c1 ZINC000459405987 501647845 /nfs/dbraw/zinc/64/78/45/501647845.db2.gz GAGZDUNJWCIAPO-IBGZPJMESA-N 2 0 366.509 3.318 20 0 FGADRP C[C@H](c1ccccc1)N1CC[C@@H]([NH2+]C2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000459411017 501649269 /nfs/dbraw/zinc/64/92/69/501649269.db2.gz PWGRLQQTBSYEOZ-WIYYLYMNSA-N 3 0 350.510 3.476 20 0 FGADRP C[C@H](C(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000457094075 501649534 /nfs/dbraw/zinc/64/95/34/501649534.db2.gz ZFAHSBKCTGJVPJ-QLFBSQMISA-N 2 0 363.468 3.123 20 0 FGADRP C[NH+]1CCC(O)(C[NH2+]C/C=C\c2ccc(OCc3ccccc3)cc2)CC1 ZINC000459433702 501652914 /nfs/dbraw/zinc/65/29/14/501652914.db2.gz NVANXEYTBPHJNA-YVMONPNESA-N 2 0 366.505 3.325 20 0 FGADRP COC[C@@H](O)C[N@@H+]1CCCCC[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000459522949 501669086 /nfs/dbraw/zinc/66/90/86/501669086.db2.gz LDSJUJLCVVGPKO-VXKWHMMOSA-N 2 0 360.542 3.151 20 0 FGADRP CC[NH+](CC)CCNC(=O)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000457408985 501694268 /nfs/dbraw/zinc/69/42/68/501694268.db2.gz PKYBUORZLCXAKA-UHFFFAOYSA-N 2 0 372.557 3.026 20 0 FGADRP CC(C)[NH+]1CCC(NC(=O)C[N@H+](C)[C@@H]2CCC[C@@H]2c2ccccc2)CC1 ZINC000459678639 501697970 /nfs/dbraw/zinc/69/79/70/501697970.db2.gz RWQOOYXNWMQSDB-NHCUHLMSSA-N 2 0 357.542 3.244 20 0 FGADRP CN(c1ccccc1C[N@@H+]1CC2(CCC2)[C@H]2COC[C@H]21)C1CC[NH+](C)CC1 ZINC000459693714 501699942 /nfs/dbraw/zinc/69/99/42/501699942.db2.gz ZUHNKSJIECJOFB-RBBKRZOGSA-N 2 0 369.553 3.218 20 0 FGADRP CN(c1ccccc1C[NH2+]CC[C@@H]1CCC[N@H+](C)C1)C1CC[NH+](C)CC1 ZINC000459745856 501708071 /nfs/dbraw/zinc/70/80/71/501708071.db2.gz YOEKTFJGKCQHJX-IBGZPJMESA-N 3 0 358.574 3.039 20 0 FGADRP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)C1 ZINC000457500245 501711805 /nfs/dbraw/zinc/71/18/05/501711805.db2.gz XHJXBWHNIDUNOL-SJORKVTESA-N 2 0 364.559 3.009 20 0 FGADRP C[NH+](C)CCCC(C)(C)NC(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000457535727 501718235 /nfs/dbraw/zinc/71/82/35/501718235.db2.gz KFUSHYFSBVHTAO-UHFFFAOYSA-N 2 0 360.546 3.202 20 0 FGADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000470600718 501739723 /nfs/dbraw/zinc/73/97/23/501739723.db2.gz MXYSTELQSAKUJP-CPUCHLNUSA-N 2 0 371.447 3.297 20 0 FGADRP CC[NH+](CC)[C@H](C)CNC(=O)N(C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000470742179 501788603 /nfs/dbraw/zinc/78/86/03/501788603.db2.gz GSAPRTCTCGVCOE-UYAOXDASSA-N 2 0 360.546 3.023 20 0 FGADRP CN(C(=O)NCCC[NH+]1CCCCC1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000470742532 501789988 /nfs/dbraw/zinc/78/99/88/501789988.db2.gz CRTHWZCCRMFTNB-NRFANRHFSA-N 2 0 372.557 3.168 20 0 FGADRP CC[N@H+](Cc1ccc(C(=O)NC2CC([NH+]3CCCCC3)C2)cc1)C1CC1 ZINC000477894123 501822829 /nfs/dbraw/zinc/82/28/29/501822829.db2.gz XOYMATXBJXNSAA-UHFFFAOYSA-N 2 0 355.526 3.418 20 0 FGADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1cccc(-c2cscn2)c1 ZINC000463827359 501833139 /nfs/dbraw/zinc/83/31/39/501833139.db2.gz WNEDBZVQNNIMDY-UHFFFAOYSA-N 2 0 374.554 3.156 20 0 FGADRP CC[C@@]1(C(=O)N2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)CCC[NH2+]1 ZINC000467697353 501847376 /nfs/dbraw/zinc/84/73/76/501847376.db2.gz XVXWYYVQZBMPTN-YADHBBJMSA-N 2 0 355.526 3.033 20 0 FGADRP Cc1ccc(CCC[NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)cn1 ZINC000474479558 501849983 /nfs/dbraw/zinc/84/99/83/501849983.db2.gz YDIFZRQXMIVYHV-UHFFFAOYSA-N 2 0 353.510 3.069 20 0 FGADRP C[C@H]1[C@H](NC(=O)NC(C)(C)CCC[NH+](C)C)CC[N@@H+]1Cc1ccccc1 ZINC000458776454 501870109 /nfs/dbraw/zinc/87/01/09/501870109.db2.gz NLTSJHTXULOFDN-PKOBYXMFSA-N 2 0 360.546 3.069 20 0 FGADRP CCOC(=O)C1(C)CCC([NH2+]Cc2ccccc2OCC[NH+](C)C)CC1 ZINC000474601004 501889293 /nfs/dbraw/zinc/88/92/93/501889293.db2.gz QBIUQRYAJXFBAM-UHFFFAOYSA-N 2 0 362.514 3.229 20 0 FGADRP CC(C)C[C@H](CNC(=O)N[C@@H]1CC[N@@H+](C2CC2)C1)[NH2+][C@H](C)c1ccccc1 ZINC000468021596 501932637 /nfs/dbraw/zinc/93/26/37/501932637.db2.gz KHKSAFBAEVWUFS-MISYRCLQSA-N 2 0 372.557 3.288 20 0 FGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]C2CCC(C)(C(=O)OCC)CC2)[C@H](C)C1 ZINC000474722262 501932649 /nfs/dbraw/zinc/93/26/49/501932649.db2.gz ZFQXVKQPBYIKRV-HOIRFXKYSA-N 2 0 368.562 3.225 20 0 FGADRP COC(=O)CC1CCC([NH2+]C[C@@H]2CC[N@H+](CCc3ccccc3)C2)CC1 ZINC000599027732 506284674 /nfs/dbraw/zinc/28/46/74/506284674.db2.gz QPMCVAFNJACUBK-KBWCOIMZSA-N 2 0 358.526 3.263 20 0 FGADRP CC[C@]1(C)CC[N@@H+]([C@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000468113668 501961351 /nfs/dbraw/zinc/96/13/51/501961351.db2.gz QBPRBKDWTZPADC-XMSQKQJNSA-N 2 0 357.542 3.278 20 0 FGADRP CCC[N@H+](CC)C[C@@H](C)NC(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000460949003 501967469 /nfs/dbraw/zinc/96/74/69/501967469.db2.gz KQVGQHHKEQCZCO-XEVCZEQESA-N 2 0 366.594 3.449 20 0 FGADRP CC(C)(CNC(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1)C[NH+]1CCCC1 ZINC000478409591 501971962 /nfs/dbraw/zinc/97/19/62/501971962.db2.gz ZNEZHAILYWARMQ-HXUWFJFHSA-N 2 0 372.557 3.245 20 0 FGADRP Cc1cccc2c1CC[C@H]2[NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000482113793 501978524 /nfs/dbraw/zinc/97/85/24/501978524.db2.gz ZFQUAXHPYMDIRM-JOCHJYFZSA-N 2 0 350.510 3.179 20 0 FGADRP COc1ccc([C@@H](C)[NH2+]CCCN2CCN(c3cc[nH+]cc3)CC2)cc1F ZINC000482116883 501979690 /nfs/dbraw/zinc/97/96/90/501979690.db2.gz YKWJAZMVHMKZLH-QGZVFWFLSA-N 2 0 372.488 3.092 20 0 FGADRP CCOc1ccc([C@H](C)[NH2+]CCCN2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000482130524 501984698 /nfs/dbraw/zinc/98/46/98/501984698.db2.gz UNRHCCRCTLNCBS-IBGZPJMESA-N 2 0 368.525 3.343 20 0 FGADRP C[C@@H]1CCC[C@H](C)[C@H]1NC(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1 ZINC000478497209 502000807 /nfs/dbraw/zinc/00/08/07/502000807.db2.gz ZRVPNYYMINHXGL-BWTSREIZSA-N 2 0 364.578 3.061 20 0 FGADRP C[C@@H]1[C@@H](c2ccccc2)CC[N@@H+]1CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000475037620 502030693 /nfs/dbraw/zinc/03/06/93/502030693.db2.gz FSROFTIZVCCJCZ-COPCDDAFSA-N 2 0 365.521 3.284 20 0 FGADRP C[C@H](CNC(=O)NC1CC[NH+](C2CCCCC2)CC1)[N@@H+]1CCCC[C@@H]1C ZINC000475112913 502064166 /nfs/dbraw/zinc/06/41/66/502064166.db2.gz UMSUEHHVDHZTML-ZWKOTPCHSA-N 2 0 364.578 3.346 20 0 FGADRP C[C@H](CNC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCC(C)CC1 ZINC000475128160 502069198 /nfs/dbraw/zinc/06/91/98/502069198.db2.gz FWYCIUULSUMLGB-TZIWHRDSSA-N 2 0 372.557 3.023 20 0 FGADRP C[NH+](C)[C@H](CNC(=O)C[NH2+][C@H](c1cccs1)C1CC1)c1ccccc1 ZINC000475132993 502072743 /nfs/dbraw/zinc/07/27/43/502072743.db2.gz VWAPEAYJEDWWNJ-XLIONFOSSA-N 2 0 357.523 3.208 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1cc(F)cc(Cl)c1 ZINC000478746935 502074490 /nfs/dbraw/zinc/07/44/90/502074490.db2.gz NBIKFUDFUGVAIW-KRWDZBQOSA-N 2 0 370.900 3.359 20 0 FGADRP C[C@@H]([NH2+]CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)C(C)(C)c1ccccc1 ZINC000475141233 502077801 /nfs/dbraw/zinc/07/78/01/502077801.db2.gz VOVOKWZLVXYNGH-WIYYLYMNSA-N 2 0 367.537 3.361 20 0 FGADRP C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000468492056 502079641 /nfs/dbraw/zinc/07/96/41/502079641.db2.gz LZCANPNMCQANLI-HXUWFJFHSA-N 2 0 357.542 3.135 20 0 FGADRP CCCN(CCC[NH+](C)C)C(=O)NC[C@H](c1ccc(C)o1)[NH+]1CCCC1 ZINC000468502035 502081951 /nfs/dbraw/zinc/08/19/51/502081951.db2.gz UWUYWUNLZQPNIX-GOSISDBHSA-N 2 0 364.534 3.098 20 0 FGADRP CC(C)c1ccc(NC(=O)C[C@@H](C)[NH2+][C@@H](C)CCN2CC[NH+](C)CC2)cc1 ZINC000471613787 502087617 /nfs/dbraw/zinc/08/76/17/502087617.db2.gz YKPUUBUTZRGGQM-RBUKOAKNSA-N 2 0 374.573 3.143 20 0 FGADRP CC(C)[C@H](CNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C)[NH+]1CCc2ccccc2C1 ZINC000468525294 502091914 /nfs/dbraw/zinc/09/19/14/502091914.db2.gz VDBDZNWYGAEITN-UEXGIBASSA-N 2 0 357.542 3.058 20 0 FGADRP COC(=O)COc1ccc(C[NH2+]C(C)(C)CC[NH+]2CCCCCC2)cc1 ZINC000482515868 502095907 /nfs/dbraw/zinc/09/59/07/502095907.db2.gz ZCGXUFUOBNMJFS-UHFFFAOYSA-N 2 0 362.514 3.373 20 0 FGADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)NC[C@H](C(C)C)[NH+]2CCC(C)CC2)C1 ZINC000464830464 502110765 /nfs/dbraw/zinc/11/07/65/502110765.db2.gz OIMWJTIUQKAZHJ-WOJBJXKFSA-N 2 0 366.594 3.020 20 0 FGADRP CCC(C)(C)[NH2+][C@H](C)C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461429397 502110957 /nfs/dbraw/zinc/11/09/57/502110957.db2.gz NZLGCKGVPVEAOI-YZGWKJHDSA-N 2 0 357.542 3.134 20 0 FGADRP O=C([C@H]1CCC[N@H+](Cc2ccccc2)C1)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000461438096 502114390 /nfs/dbraw/zinc/11/43/90/502114390.db2.gz KFSSSFUSZNIZGQ-YADHBBJMSA-N 2 0 369.553 3.233 20 0 FGADRP COc1cc2c(cc1CNC[C@H]1CC[N@H+](Cc3ccccc3)C1)OCO2 ZINC000475285084 502118463 /nfs/dbraw/zinc/11/84/63/502118463.db2.gz ZVKVOXMLFQOLEP-QGZVFWFLSA-N 2 0 354.450 3.036 20 0 FGADRP C[C@@H](CC[N@@H+]1CCN(C2CC[NH+](C)CC2)[C@H](C)C1)OCc1ccccc1 ZINC000475320519 502133435 /nfs/dbraw/zinc/13/34/35/502133435.db2.gz JXNFNIGSGXINBK-UXHICEINSA-N 2 0 359.558 3.082 20 0 FGADRP CCCN(CCC[NH+](C)C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000468664661 502140576 /nfs/dbraw/zinc/14/05/76/502140576.db2.gz BQKPIRQMVMDBJX-FPOVZHCZSA-N 2 0 374.573 3.270 20 0 FGADRP C[C@@H](NC(=O)NCC(C)(C)C[NH+]1CCCC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000479063802 502151951 /nfs/dbraw/zinc/15/19/51/502151951.db2.gz PPFYSZYATYRZGD-QZTJIDSGSA-N 2 0 364.578 3.061 20 0 FGADRP C[C@H](CSc1nnc([C@@H](C)N(C)C)n1-c1ccc(F)cc1)[NH+](C)C ZINC000479201315 502191987 /nfs/dbraw/zinc/19/19/87/502191987.db2.gz DIKROYLTSCNTNW-CHWSQXEVSA-N 2 0 351.495 3.071 20 0 FGADRP CC(C)c1ccc(CC[NH2+]Cc2cccc(C(=O)NCC[NH+](C)C)c2)cc1 ZINC000468819121 502195020 /nfs/dbraw/zinc/19/50/20/502195020.db2.gz DFIWLGSGZCPFBG-UHFFFAOYSA-N 2 0 367.537 3.434 20 0 FGADRP CCN(CCC[NH+](CC)CC)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000472051714 502212198 /nfs/dbraw/zinc/21/21/98/502212198.db2.gz IJKSCEKNBNLTMR-WOJBJXKFSA-N 2 0 360.546 3.195 20 0 FGADRP CCN(CC[NH+]1CCCCCC1)C(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000479344470 502230566 /nfs/dbraw/zinc/23/05/66/502230566.db2.gz IYQMGVVJSSHHSV-SFHVURJKSA-N 2 0 366.575 3.258 20 0 FGADRP C[N@@H+]1CCCC[C@H]1CCC(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000486704441 502237378 /nfs/dbraw/zinc/23/73/78/502237378.db2.gz BRVRKWZWLHMTEI-NRFANRHFSA-N 2 0 357.542 3.279 20 0 FGADRP CCCN(CC[NH+](CC)CC)C(=O)N[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000461936880 502244408 /nfs/dbraw/zinc/24/44/08/502244408.db2.gz ONFLWYKSLUVRIX-MOPGFXCFSA-N 2 0 366.594 3.403 20 0 FGADRP CC(C)[N@@H+](C)C[C@H](C)NC(=O)N1CCC(CC[NH+]2CCCC[C@@H]2C)CC1 ZINC000462004484 502271103 /nfs/dbraw/zinc/27/11/03/502271103.db2.gz ADWDSVFBLNHGRT-OALUTQOASA-N 2 0 366.594 3.401 20 0 FGADRP CC[NH+](CC)[C@H](C)CN[C@@H](c1ccc(Cl)cc1)[C@H]1CN(C)CCO1 ZINC000479490597 502275221 /nfs/dbraw/zinc/27/52/21/502275221.db2.gz STAYKLWQMNOAMR-LZQZEXGQSA-N 2 0 353.938 3.032 20 0 FGADRP C[N@H+](CCNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1)Cc1ccc(F)cc1 ZINC000483122027 502280426 /nfs/dbraw/zinc/28/04/26/502280426.db2.gz PMBALMHEQLTIBO-GOSISDBHSA-N 2 0 361.505 3.028 20 0 FGADRP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+]2C[C@@H](C)CC2(C)C)CC1 ZINC000472279924 502296771 /nfs/dbraw/zinc/29/67/71/502296771.db2.gz QUJHIUNGTSCYOX-KRWDZBQOSA-N 2 0 357.542 3.196 20 0 FGADRP C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)[NH+](C)Cc1ccccc1 ZINC000483196446 502310911 /nfs/dbraw/zinc/31/09/11/502310911.db2.gz JMMPJOUBKPITDP-UYAOXDASSA-N 2 0 357.542 3.278 20 0 FGADRP CCC[NH+]1CCC([NH2+]C[C@@H](CO)Cc2ccccc2OC(F)(F)F)CC1 ZINC000462117325 502312898 /nfs/dbraw/zinc/31/28/98/502312898.db2.gz KXWXLWFVFXOPBT-HNNXBMFYSA-N 2 0 374.447 3.200 20 0 FGADRP CC1CC[NH+](Cc2ccccc2CNC(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000465575863 502313152 /nfs/dbraw/zinc/31/31/52/502313152.db2.gz QXRRYPNKXUZCFB-NQIIRXRSSA-N 2 0 372.557 3.200 20 0 FGADRP C[C@@H]1C[C@@H](C)C[NH+](CCCC[NH2+]Cc2c(Br)cnn2C)C1 ZINC000486966752 502318338 /nfs/dbraw/zinc/31/83/38/502318338.db2.gz LSBHIQKPOHLNST-ZIAGYGMSSA-N 2 0 357.340 3.030 20 0 FGADRP CN(C)c1ncc(C[N@@H+]2CCCC[C@H]2[C@@H](C[NH3+])Cc2ccccc2)s1 ZINC000472351541 502326673 /nfs/dbraw/zinc/32/66/73/502326673.db2.gz SWRCIVZITVWYOX-MJGOQNOKSA-N 2 0 358.555 3.381 20 0 FGADRP COC1(C[N@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)CCCCC1 ZINC000483271089 502334932 /nfs/dbraw/zinc/33/49/32/502334932.db2.gz WVZUHNSYQOCIFX-UHFFFAOYSA-N 2 0 365.606 3.464 20 0 FGADRP C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000479690396 502345279 /nfs/dbraw/zinc/34/52/79/502345279.db2.gz NURPSWORCOPWDK-ZGXWSNOMSA-N 2 0 364.578 3.013 20 0 FGADRP CCCN(CC[NH+]1CCCC1)C(=O)NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000479702686 502349435 /nfs/dbraw/zinc/34/94/35/502349435.db2.gz FSAFVJRRJUCFMP-WOJBJXKFSA-N 2 0 366.594 3.262 20 0 FGADRP Cc1ccc(CN(C(=O)CN2CC[C@H](C[N@H+](C)CC3CC3)C2)C2CC2)cc1 ZINC000472477343 502363644 /nfs/dbraw/zinc/36/36/44/502363644.db2.gz LDRKDFLDZJTRPM-OAQYLSRUSA-N 2 0 369.553 3.150 20 0 FGADRP CC(C)[NH+]1[C@@H]2CC[C@H]1CN(C(=O)N[C@@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1)CC2 ZINC000465743219 502366512 /nfs/dbraw/zinc/36/65/12/502366512.db2.gz PMCYLVWTIVQEAW-YHDCXSKOSA-N 2 0 364.578 3.010 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cc2cccc(F)c2o1 ZINC000607897670 506310531 /nfs/dbraw/zinc/31/05/31/506310531.db2.gz VQGHARLFNSMNGO-INIZCTEOSA-N 2 0 361.461 3.060 20 0 FGADRP C[C@H](C1CC1)N(Cc1ccccc1)C(=O)CN1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000483472909 502401870 /nfs/dbraw/zinc/40/18/70/502401870.db2.gz KNBJENFQWWZKGG-COPCDDAFSA-N 2 0 369.553 3.230 20 0 FGADRP CC[NH+](CC)[C@H]1CCN(C(=O)NC[C@H]2CCC[N@@H+]2CC2CCCCC2)C1 ZINC000465878333 502412172 /nfs/dbraw/zinc/41/21/72/502412172.db2.gz SFGZNPMHBYGXHD-UXHICEINSA-N 2 0 364.578 3.157 20 0 FGADRP O=C(CN1CC[C@@]2(CC[NH2+]C2)C1)N[C@H](c1ccccc1)C1CCCCC1 ZINC000462392527 502419189 /nfs/dbraw/zinc/41/91/89/502419189.db2.gz LVEMABIAPVTWAX-FGZHOGPDSA-N 2 0 355.526 3.110 20 0 FGADRP C[NH+](C)CCC1CCN(C(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2)CC1 ZINC000469484440 502434742 /nfs/dbraw/zinc/43/47/42/502434742.db2.gz SZWYOWWURQKAPC-NRFANRHFSA-N 2 0 357.542 3.231 20 0 FGADRP CC1CC[NH+](CC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)CC1 ZINC000483600120 502440224 /nfs/dbraw/zinc/44/02/24/502440224.db2.gz RIGDXDCBYZXZKF-YADHBBJMSA-N 2 0 369.553 3.231 20 0 FGADRP CC(C)[C@@H]1CN(C(=O)NCC(C)(C)[NH2+][C@@H](C)c2ccccc2)CC[N@@H+]1C ZINC000487471851 502452459 /nfs/dbraw/zinc/45/24/59/502452459.db2.gz QGLAUWPIILCXLC-HKUYNNGSSA-N 2 0 360.546 3.097 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)C[C@@H]1C ZINC000483684105 502462945 /nfs/dbraw/zinc/46/29/45/502462945.db2.gz PISPWIOPWXSGPC-SESVDKBCSA-N 2 0 372.557 3.338 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)C[C@@H]1C ZINC000483684104 502463405 /nfs/dbraw/zinc/46/34/05/502463405.db2.gz PISPWIOPWXSGPC-JBACZVJFSA-N 2 0 372.557 3.338 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NCCCC[NH+]2CCC[C@H](C)C2)C[C@H]1C ZINC000483684651 502463479 /nfs/dbraw/zinc/46/34/79/502463479.db2.gz NTPNPGLJYBWDCE-OTWHNJEPSA-N 2 0 352.567 3.013 20 0 FGADRP C[C@@H]1CCN(C(=O)NCc2ccccc2C[N@@H+]2CCCC[C@H]2C)C[C@H]1C[NH3+] ZINC000582595375 506316616 /nfs/dbraw/zinc/31/66/16/506316616.db2.gz ZTCPVUZUKPQNPJ-DBXWQHBBSA-N 2 0 372.557 3.187 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@H]2CCC[NH+]2Cc2ccccc2)C[C@H]1C ZINC000483806061 502497624 /nfs/dbraw/zinc/49/76/24/502497624.db2.gz JQMPGYTZSRTRLI-HLAWJBBLSA-N 2 0 372.557 3.165 20 0 FGADRP CCC[N@H+](CC)C[C@@H](C)NC(=O)N1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000462617574 502509511 /nfs/dbraw/zinc/50/95/11/502509511.db2.gz LHSKAEJWJPAAMV-HSALFYBXSA-N 2 0 366.594 3.403 20 0 FGADRP CC(C)c1nn(-c2ccccc2)cc1C[NH2+][C@@H](C)CCN1CC[NH+](C)CC1 ZINC000473076745 502514659 /nfs/dbraw/zinc/51/46/59/502514659.db2.gz YHKJBTLKVCSIRN-IBGZPJMESA-N 2 0 369.557 3.111 20 0 FGADRP C[C@H]1C[C@@H]1[N@@H+]1CCN(C(=O)NCCCC[NH+]2CCCC[C@@H]2C)C[C@@H](C)C1 ZINC000487822826 502540428 /nfs/dbraw/zinc/54/04/28/502540428.db2.gz QGQATSULXOCEFY-MUGJNUQGSA-N 2 0 364.578 3.013 20 0 FGADRP CC(C)C[C@H](N[C@H](C)c1csc(C(C)C)n1)C(=O)NCC[NH+](C)C ZINC000469778042 502542652 /nfs/dbraw/zinc/54/26/52/502542652.db2.gz BZHWHOLYQIRCCY-CABCVRRESA-N 2 0 354.564 3.010 20 0 FGADRP C[C@@H]1CN(C(=O)NC[C@@H](C2CCCCC2)[NH+](C)C)CC[N@@H+](C2CCC2)C1 ZINC000487847250 502546064 /nfs/dbraw/zinc/54/60/64/502546064.db2.gz ZWSXSXCVOUFMAQ-PXNSSMCTSA-N 2 0 364.578 3.013 20 0 FGADRP CCN(CCC[NH+](C)C)C(=O)NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000462750436 502557286 /nfs/dbraw/zinc/55/72/86/502557286.db2.gz OIOAYNMNNSVEPK-NRFANRHFSA-N 2 0 374.573 3.272 20 0 FGADRP CCOc1c(Br)cc(CN2C[C@H](C[NH3+])C[C@H]2C)cc1OC ZINC000469868053 502575758 /nfs/dbraw/zinc/57/57/58/502575758.db2.gz XBTPJFPCTKVEFC-YPMHNXCESA-N 2 0 357.292 3.026 20 0 FGADRP CC[NH+]1CCN(c2ccccc2C[NH2+]C[C@@](C)(O)C2CCCCC2)CC1 ZINC000480475559 502577875 /nfs/dbraw/zinc/57/78/75/502577875.db2.gz YARCKVLKINMCMX-JOCHJYFZSA-N 2 0 359.558 3.249 20 0 FGADRP C[C@H]1CCC[C@@](CNC(=O)N2CC[N@@H+](C3CCC3)C[C@H](C)C2)([NH+](C)C)C1 ZINC000488019063 502602280 /nfs/dbraw/zinc/60/22/80/502602280.db2.gz WDKYZMQFZYPNIJ-BBTUJRGHSA-N 2 0 364.578 3.013 20 0 FGADRP C[C@@H]1C[C@H](C[N@H+](C)[C@H]2CCC[NH+](C[C@@H]3CCO[C@H](C)C3)CC2)CCO1 ZINC000488098210 502626340 /nfs/dbraw/zinc/62/63/40/502626340.db2.gz BSVRCDTZUGYBCD-ONUIULTDSA-N 2 0 352.563 3.403 20 0 FGADRP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1)c1cccc(NS(C)(=O)=O)c1 ZINC000480632146 502628318 /nfs/dbraw/zinc/62/83/18/502628318.db2.gz RINGXAQFOCGTPC-SJORKVTESA-N 2 0 367.559 3.221 20 0 FGADRP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@H](C)C1)c1cccc(NS(C)(=O)=O)c1 ZINC000480632138 502628427 /nfs/dbraw/zinc/62/84/27/502628427.db2.gz RINGXAQFOCGTPC-DLBZAZTESA-N 2 0 367.559 3.221 20 0 FGADRP CC[NH+]1CCN(c2ccc(C[NH2+][C@H]3CCc4c3cccc4OC)cn2)CC1 ZINC000480703231 502648347 /nfs/dbraw/zinc/64/83/47/502648347.db2.gz JSMWDFSTUPGHCF-FQEVSTJZSA-N 2 0 366.509 3.009 20 0 FGADRP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H](C)c3ccc4c(c3)COC4)cn2)CC1 ZINC000480722175 502653305 /nfs/dbraw/zinc/65/33/05/502653305.db2.gz BADNDWYKNPBTFN-KRWDZBQOSA-N 2 0 366.509 3.105 20 0 FGADRP Cc1ccc([C@@H](CNC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)[NH+](C)C)cc1 ZINC000480725584 502654116 /nfs/dbraw/zinc/65/41/16/502654116.db2.gz YPNZTPULAKUQPO-PZJWPPBQSA-N 2 0 357.542 3.369 20 0 FGADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1CCC2(CC[NH+](Cc3ccccc3)C2)CC1 ZINC000477034910 502655436 /nfs/dbraw/zinc/65/54/36/502655436.db2.gz PWMVCQYYOGXBRE-BGYRXZFFSA-N 2 0 369.553 3.374 20 0 FGADRP CC(C)[C@H](C(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1)[NH+](C)C ZINC000477094974 502675765 /nfs/dbraw/zinc/67/57/65/502675765.db2.gz FWOZVFVGKCVCDE-HXUWFJFHSA-N 2 0 357.542 3.087 20 0 FGADRP CC/C=C/CC[NH+]1CCC(C(=O)NCC[N@H+](C)Cc2ccccc2)CC1 ZINC000466802986 502686047 /nfs/dbraw/zinc/68/60/47/502686047.db2.gz RNPFQHFYWLKNMT-SNAWJCMRSA-N 2 0 357.542 3.303 20 0 FGADRP C[C@H](NC(=O)NCC[N@H+](C)Cc1ccccc1)[C@@H](c1ccccc1)[NH+](C)C ZINC000484668297 502703097 /nfs/dbraw/zinc/70/30/97/502703097.db2.gz GHRADWNPXYQEDR-RXVVDRJESA-N 2 0 368.525 3.109 20 0 FGADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)N2CC[C@H]([NH+]3CCCC3)[C@@H]2C)C1 ZINC000484719712 502719612 /nfs/dbraw/zinc/71/96/12/502719612.db2.gz OVRKZYOSAZUZNH-ZFMNYDKASA-N 2 0 370.541 3.090 20 0 FGADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCC[C@@H]2C[NH+]2CCCC2)C1 ZINC000477266893 502724704 /nfs/dbraw/zinc/72/47/04/502724704.db2.gz PTNBYMUIJCBGQE-RTBURBONSA-N 2 0 364.578 3.157 20 0 FGADRP C[C@H]1C[NH+](CCC2CC[NH+](CCCC3CCOCC3)CC2)C[C@H](C)O1 ZINC000463277288 502743040 /nfs/dbraw/zinc/74/30/40/502743040.db2.gz CJRVUVISDVYDNT-OALUTQOASA-N 2 0 352.563 3.405 20 0 FGADRP CC(C)C1CCC([NH+]2CCN(C(=O)c3ccc4c(c3)C[NH2+]C4)CC2)CC1 ZINC000470362874 502751086 /nfs/dbraw/zinc/75/10/86/502751086.db2.gz GBVDSSPOTLJMSG-UHFFFAOYSA-N 2 0 355.526 3.262 20 0 FGADRP CC[C@H](C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1)[NH+](CC)CC ZINC000484938898 502781762 /nfs/dbraw/zinc/78/17/62/502781762.db2.gz MIZGURGIWKVIAX-QHAWAJNXSA-N 2 0 357.542 3.087 20 0 FGADRP CC(C)[NH+](CCCNC(=O)NC[C@H](C)[N@@H+]1CCc2ccccc2C1)C(C)C ZINC000470470672 502788094 /nfs/dbraw/zinc/78/80/94/502788094.db2.gz NWMUQHUTOQJTHX-IBGZPJMESA-N 2 0 374.573 3.241 20 0 FGADRP COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+]C1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000474054715 502792240 /nfs/dbraw/zinc/79/22/40/502792240.db2.gz ODVRQDANEGTUSC-PCCBWWKXSA-N 2 0 358.526 3.385 20 0 FGADRP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC000470531405 502806324 /nfs/dbraw/zinc/80/63/24/502806324.db2.gz VBWYSJYRKHVMNF-IRFCIJBXSA-N 2 0 357.542 3.230 20 0 FGADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]C1CCN(C(=O)c2ccoc2)CC1 ZINC000513331712 502906818 /nfs/dbraw/zinc/90/68/18/502906818.db2.gz VEGGHOXNVQLKGA-PXNSSMCTSA-N 2 0 361.530 3.374 20 0 FGADRP C[N@@H+](CC(=O)N(C1CC1)C1CCCC1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501040870 502920147 /nfs/dbraw/zinc/92/01/47/502920147.db2.gz TTXPIXBIIWNHEW-UHFFFAOYSA-N 2 0 370.541 3.163 20 0 FGADRP C[C@H](C(=O)N1[C@H](C)CCC[C@H]1C)[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501081597 502931403 /nfs/dbraw/zinc/93/14/03/502931403.db2.gz XVGDXRVCHUYYBO-GUDVDZBRSA-N 2 0 372.557 3.408 20 0 FGADRP [NH3+][C@H](C(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2)c1ccccc1 ZINC000497330720 502933376 /nfs/dbraw/zinc/93/33/76/502933376.db2.gz CNJQCZDAUPJECD-GMAHTHKFSA-N 2 0 363.505 3.201 20 0 FGADRP CCC[NH+]1CCC(N(C)C(=O)NC[C@H]([NH2+][C@H](C)CC)c2ccco2)CC1 ZINC000509583397 502941177 /nfs/dbraw/zinc/94/11/77/502941177.db2.gz JXJJPLSSYNILBQ-AEFFLSMTSA-N 2 0 364.534 3.225 20 0 FGADRP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccc(-c4ccccc4F)o3)C2)CC1 ZINC000513453853 502942932 /nfs/dbraw/zinc/94/29/32/502942932.db2.gz AZHDIGSQDTXXQA-QGZVFWFLSA-N 2 0 357.473 3.298 20 0 FGADRP CC(C)[NH+]1CCN(CCC[N@H+](C)Cc2cc(Br)cs2)CC1 ZINC000501133386 502945527 /nfs/dbraw/zinc/94/55/27/502945527.db2.gz UTCAPYVHWKOPCC-UHFFFAOYSA-N 2 0 374.392 3.359 20 0 FGADRP COCC[C@@H]1CCCC[N@H+](CCCN2CCN(c3ccccc3)CC2)C1 ZINC000509623056 502951054 /nfs/dbraw/zinc/95/10/54/502951054.db2.gz PWMLAPBMBKHICL-NRFANRHFSA-N 2 0 359.558 3.337 20 0 FGADRP CC1(CC(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CCCCC1 ZINC000509665766 502962012 /nfs/dbraw/zinc/96/20/12/502962012.db2.gz UAZWTEFKXIIDQG-UHFFFAOYSA-N 2 0 358.530 3.070 20 0 FGADRP CCCN(CC[NH+]1CCCCC1)C(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000505706004 502970085 /nfs/dbraw/zinc/97/00/85/502970085.db2.gz LUBUMLDMSBVZFE-QGZVFWFLSA-N 2 0 366.575 3.258 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CCc1ccc(C)cc1C ZINC000505760657 502980170 /nfs/dbraw/zinc/98/01/70/502980170.db2.gz VXDFNHGZYKEODT-NRFANRHFSA-N 2 0 359.558 3.111 20 0 FGADRP CC[C@H](C)[N@H+](C)CCNC(=O)NCC[C@H]1C[C@@H](C)[NH+](Cc2ccccc2)C1 ZINC000509805162 502989303 /nfs/dbraw/zinc/98/93/03/502989303.db2.gz NISHQWZWEJNGEW-ZVDOUQERSA-N 2 0 374.573 3.317 20 0 FGADRP C[NH+]1CCN(c2ncccc2C[NH2+][C@@H]2CCC[C@H](c3cccnc3)C2)CC1 ZINC000501378242 502996753 /nfs/dbraw/zinc/99/67/53/502996753.db2.gz PDWPNWDBOBROJG-GHTZIAJQSA-N 2 0 365.525 3.044 20 0 FGADRP CCC[NH+]1CCN(c2ccccc2CN2CC[C@@H]([NH+]3CCCCC3)C2)CC1 ZINC000513723844 503009934 /nfs/dbraw/zinc/00/99/34/503009934.db2.gz BCOPUTOSDXDRHL-JOCHJYFZSA-N 2 0 370.585 3.279 20 0 FGADRP CC1CC[NH+](C[C@@H]2CCCN(C(=O)N[C@H]3CCC[C@H]([NH+](C)C)C3)C2)CC1 ZINC000489798257 503038162 /nfs/dbraw/zinc/03/81/62/503038162.db2.gz PSTRILVLGBFLDP-UFYCRDLUSA-N 2 0 364.578 3.013 20 0 FGADRP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000513936370 503051921 /nfs/dbraw/zinc/05/19/21/503051921.db2.gz SNWBYMPWOLXPEG-FCHUYYIVSA-N 2 0 365.521 3.113 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)N(CC[NH+](C)C)Cc2ccccc2)C1 ZINC000501718877 503066476 /nfs/dbraw/zinc/06/64/76/503066476.db2.gz PMUABDHJYVLCGQ-BGYRXZFFSA-N 2 0 374.573 3.128 20 0 FGADRP CC(C)[NH+]1CCC([N@H+](C)CCC(=O)N[C@H]2CCCc3ccccc32)CC1 ZINC000514008149 503067274 /nfs/dbraw/zinc/06/72/74/503067274.db2.gz BOLPGUMZUREBOL-NRFANRHFSA-N 2 0 357.542 3.375 20 0 FGADRP C[C@H]([NH2+]CCCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1ccc2c(c1)OCC(=O)N2 ZINC000514094972 503086344 /nfs/dbraw/zinc/08/63/44/503086344.db2.gz PCFODLZTABFOAW-BBWFWOEESA-N 2 0 359.514 3.426 20 0 FGADRP C[C@H](CCNC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H]1C)[NH+]1CCCCC1 ZINC000501821473 503088030 /nfs/dbraw/zinc/08/80/30/503088030.db2.gz FRVIBQGVISHUNP-SVFBPWRDSA-N 2 0 372.557 3.213 20 0 FGADRP C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)NCC[N@H+](C)Cc2ccccc2)C1 ZINC000514127774 503094166 /nfs/dbraw/zinc/09/41/66/503094166.db2.gz YYUMTGOLWPVVFH-PMACEKPBSA-N 2 0 374.573 3.176 20 0 FGADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000514215016 503114760 /nfs/dbraw/zinc/11/47/60/503114760.db2.gz QIALOZVRUDWJCJ-SVFBPWRDSA-N 2 0 372.557 3.243 20 0 FGADRP Cc1ccc([C@H](CNC(=O)NC[C@H](C)[N@@H+]2CCC[C@@H](C)C2)[NH+](C)C)cc1 ZINC000514229969 503119769 /nfs/dbraw/zinc/11/97/69/503119769.db2.gz VKIDVHYLXBTBRM-HBFSDRIKSA-N 2 0 360.546 3.017 20 0 FGADRP CC[NH+](CC)Cc1cccc(CNC(=O)N2C[C@H](C)[N@H+](CC)C[C@@H]2C)c1 ZINC000498249939 503142579 /nfs/dbraw/zinc/14/25/79/503142579.db2.gz GOPNMQMSSVYKQN-ROUUACIJSA-N 2 0 360.546 3.153 20 0 FGADRP Cc1nn(-c2cc[nH+]cc2)cc1CN(CC[NH+](C)C)Cc1cccs1 ZINC000514635066 503153469 /nfs/dbraw/zinc/15/34/69/503153469.db2.gz RDFIJHSOSAJKEL-UHFFFAOYSA-N 2 0 355.511 3.201 20 0 FGADRP Cc1cc(OCCC[C@@H](C)[NH2+]C[C@H](C)N2CC[NH+](C)CC2)ccc1Cl ZINC000510654289 503165744 /nfs/dbraw/zinc/16/57/44/503165744.db2.gz WTYGHGRJXDGNKU-MSOLQXFVSA-N 2 0 367.965 3.421 20 0 FGADRP C[NH+]1CCN(c2ccc(N[C@H]3CCC[C@H](c4cccnc4)C3)nc2)CC1 ZINC000502247870 503169500 /nfs/dbraw/zinc/16/95/00/503169500.db2.gz JYZKXITZDPADCI-HKUYNNGSSA-N 2 0 351.498 3.367 20 0 FGADRP CCC[C@H]([NH2+]C(C)C)C(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1 ZINC000498383608 503175453 /nfs/dbraw/zinc/17/54/53/503175453.db2.gz BXAMLHHDGZTXDA-INIZCTEOSA-N 2 0 355.910 3.386 20 0 FGADRP CC1CC[NH+](CCNC(=O)N2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)CC1 ZINC000506929524 503196448 /nfs/dbraw/zinc/19/64/48/503196448.db2.gz GCZAMODEXHFBLJ-PMACEKPBSA-N 2 0 364.578 3.014 20 0 FGADRP CC[NH+](CC)C[C@H](C)NC(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000506935939 503198036 /nfs/dbraw/zinc/19/80/36/503198036.db2.gz UQJDLIIMQYCNDH-IPMKNSEASA-N 2 0 352.567 3.013 20 0 FGADRP CC(C)(C)[C@H]([NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1)c1ccc(F)cc1 ZINC000507035293 503217914 /nfs/dbraw/zinc/21/79/14/503217914.db2.gz DBUVSHUMHOBRIF-HXUWFJFHSA-N 2 0 361.505 3.246 20 0 FGADRP C[C@@H]1CC[N@H+](C)CCN1C(=O)c1cccc(C[NH+](C)Cc2ccccc2)c1 ZINC000498721337 503247834 /nfs/dbraw/zinc/24/78/34/503247834.db2.gz KPSHWBVAKLKRED-LJQANCHMSA-N 2 0 365.521 3.485 20 0 FGADRP COCC[C@@H]1CCC[C@@H]1[NH2+]CCCN1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000502688361 503251473 /nfs/dbraw/zinc/25/14/73/503251473.db2.gz WCXMOHDHLPJGLV-BVSLBCMMSA-N 2 0 359.558 3.160 20 0 FGADRP C[NH+]1CCN(c2ccc(C[NH2+]C3CC(c4cc(F)cc(F)c4)C3)cn2)CC1 ZINC000515093287 503270173 /nfs/dbraw/zinc/27/01/73/503270173.db2.gz GFFNEAPHSJSPLY-UHFFFAOYSA-N 2 0 372.463 3.147 20 0 FGADRP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)N2CCC([NH+]3CCCC3)CC2)C1 ZINC000502820905 503280816 /nfs/dbraw/zinc/28/08/16/503280816.db2.gz BIQXQYYADHCTMR-RTBURBONSA-N 2 0 364.578 3.014 20 0 FGADRP CCCC[N@H+](C)C[C@@H](C)NC(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000515261771 503304368 /nfs/dbraw/zinc/30/43/68/503304368.db2.gz JNNQQGQPXQEPKZ-UYAOXDASSA-N 2 0 360.546 3.243 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N2CC[NH+](C)CC[C@H]2C)cc1 ZINC000502912251 503306728 /nfs/dbraw/zinc/30/67/28/503306728.db2.gz LVGMTMMSRZXGAC-RTBURBONSA-N 2 0 372.557 3.297 20 0 FGADRP CC[N@@H+]1C[C@H](C)N(C(=O)NC2CCC([NH+]3CCC(C)CC3)CC2)C[C@H]1C ZINC000499028509 503317083 /nfs/dbraw/zinc/31/70/83/503317083.db2.gz OBLDBZCUKBYLAN-ZMTPEHOPSA-N 2 0 364.578 3.154 20 0 FGADRP CC[C@H]([NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1c(C)nn(C)c1C ZINC000515413290 503333169 /nfs/dbraw/zinc/33/31/69/503333169.db2.gz QZICTCPZXFRAEK-WAOWUJCRSA-N 2 0 354.498 3.334 20 0 FGADRP CC(C)(C)NC(=O)C[NH+]1CCC(C[NH2+]C[C@H]2C[C@@H]2c2ccccc2)CC1 ZINC000503052346 503336586 /nfs/dbraw/zinc/33/65/86/503336586.db2.gz ONORQCWLOFYYBG-WOJBJXKFSA-N 2 0 357.542 3.006 20 0 FGADRP Cc1ccccc1[C@@H]([C@@H](C)NC(=O)NCC(C)(C)C[NH+]1CCCC1)[NH+](C)C ZINC000503091114 503345043 /nfs/dbraw/zinc/34/50/43/503345043.db2.gz FGESTYAHWQBIHW-UYAOXDASSA-N 2 0 374.573 3.407 20 0 FGADRP CC(C)C[C@@H](CNC(=O)N1CC[NH+]2CCC1CC2)[NH2+][C@@H](C)c1ccccc1 ZINC000499196638 503353183 /nfs/dbraw/zinc/35/31/83/503353183.db2.gz WETRQPVCWHONTE-ICSRJNTNSA-N 2 0 372.557 3.242 20 0 FGADRP COc1ccc(F)c(C[NH+]2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c1 ZINC000507833522 503376223 /nfs/dbraw/zinc/37/62/23/503376223.db2.gz MXFCKRMORANDCM-IYBDPMFKSA-N 2 0 350.478 3.156 20 0 FGADRP O=[S@@](CC[N@@H+]1CCC[C@H](c2ncc3n2CCCC3)C1)c1ccccc1 ZINC000503373568 503396811 /nfs/dbraw/zinc/39/68/11/503396811.db2.gz ILHNYFSOPLDGKN-GKVSMKOHSA-N 2 0 357.523 3.207 20 0 FGADRP CC[C@@H](C)[NH2+][C@@H](CNC(=O)NC1CC([NH+]2CCCCC2)C1)c1ccco1 ZINC000503428404 503407528 /nfs/dbraw/zinc/40/75/28/503407528.db2.gz OEJAVQQURNYTOB-CPFNUKBASA-N 2 0 362.518 3.025 20 0 FGADRP C[C@H]1CCCC[N@@H+]1CCCC[NH2+]C[C@@H](O)COc1ccccc1Cl ZINC000516048185 503437226 /nfs/dbraw/zinc/43/72/26/503437226.db2.gz FKRWVTCGNKCWFW-DLBZAZTESA-N 2 0 354.922 3.324 20 0 FGADRP CC(C)[C@H](CNC(=O)N[C@@H](C)[C@H](c1ccccc1)[NH+](C)C)[NH+]1CCCC1 ZINC000493939660 503462671 /nfs/dbraw/zinc/46/26/71/503462671.db2.gz FSVUYJAQDRWQBR-YSIASYRMSA-N 2 0 360.546 3.097 20 0 FGADRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000516181242 503464081 /nfs/dbraw/zinc/46/40/81/503464081.db2.gz AVKCBLNCEUOHLO-MJGOQNOKSA-N 2 0 360.546 3.099 20 0 FGADRP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000516181243 503464344 /nfs/dbraw/zinc/46/43/44/503464344.db2.gz AVKCBLNCEUOHLO-PKOBYXMFSA-N 2 0 360.546 3.099 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1ccc(OC(F)F)c(F)c1 ZINC000516215044 503472069 /nfs/dbraw/zinc/47/20/69/503472069.db2.gz CNAKDDIDJWPGRI-INIZCTEOSA-N 2 0 373.463 3.275 20 0 FGADRP Cn1ccnc1C[N@H+](CCCc1cccc(F)c1)[C@@H]1CC12CC[NH2+]CC2 ZINC000503917788 503489145 /nfs/dbraw/zinc/48/91/45/503489145.db2.gz KLVHFJBOIGYEKZ-LJQANCHMSA-N 2 0 356.489 3.136 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cccc2ccccc21 ZINC000508454026 503497150 /nfs/dbraw/zinc/49/71/50/503497150.db2.gz HIIBFSKABODIOX-IBGZPJMESA-N 2 0 353.510 3.328 20 0 FGADRP CC(C)[NH+](CCN(C)C(=O)NCCCC[N@@H+]1CCCC[C@@H]1C)C(C)C ZINC000503981321 503503970 /nfs/dbraw/zinc/50/39/70/503503970.db2.gz IMXMHOKIDLLYKL-IBGZPJMESA-N 2 0 354.583 3.401 20 0 FGADRP COC(=O)c1cc2c(o1)c(OC)ccc2C[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000508581145 503523722 /nfs/dbraw/zinc/52/37/22/503523722.db2.gz UQORBEKPXRDACW-AWEZNQCLSA-N 2 0 360.454 3.002 20 0 FGADRP CC(C)[NH+](CCNC(=O)c1ccc(C[NH+]2CCSCC2)cc1)C(C)C ZINC000508606427 503528430 /nfs/dbraw/zinc/52/84/30/503528430.db2.gz ZWEBFVUDODMQQK-UHFFFAOYSA-N 2 0 363.571 3.084 20 0 FGADRP C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)N(CC[NH+](C)C)Cc1ccccc1 ZINC000504177282 503534834 /nfs/dbraw/zinc/53/48/34/503534834.db2.gz PSXJUWANVXAJRJ-AQNXPRMDSA-N 2 0 374.573 3.126 20 0 FGADRP C[C@@H]1CCC[C@](CNC(=O)NCCC[N@@H+]2CCCC[C@@H]2C)([NH+](C)C)C1 ZINC000516560946 503536989 /nfs/dbraw/zinc/53/69/89/503536989.db2.gz XDAAPYOWTUDXJM-HBFSDRIKSA-N 2 0 352.567 3.061 20 0 FGADRP C[C@H]1C[C@@H](CCNC(=O)N(C)CC[NH+]2CCCC2)C[N@@H+]1Cc1ccccc1 ZINC000512430985 503548938 /nfs/dbraw/zinc/54/89/38/503548938.db2.gz WIJKFYZVFNEYTI-PZJWPPBQSA-N 2 0 372.557 3.024 20 0 FGADRP Cc1ccc(CCCC(=O)Nc2c[nH+]ccc2N2CCN(C)CC2)cc1 ZINC000516624414 503554014 /nfs/dbraw/zinc/55/40/14/503554014.db2.gz ZGTDYZHNOWDZEJ-UHFFFAOYSA-N 2 0 352.482 3.103 20 0 FGADRP O[C@@H](C[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1)Cc1cccc(Cl)c1 ZINC000516645597 503559202 /nfs/dbraw/zinc/55/92/02/503559202.db2.gz IIVMHFFSKRQYAM-TZIWHRDSSA-N 2 0 358.913 3.355 20 0 FGADRP O[C@H](C[NH2+]Cc1ccccc1C[NH+]1CCCCC1)COc1ccccc1F ZINC000516761436 503581657 /nfs/dbraw/zinc/58/16/57/503581657.db2.gz FBOKENAXIVCSDS-HXUWFJFHSA-N 2 0 372.484 3.341 20 0 FGADRP C[NH2+]CC1CCN(C(=O)c2cccc(C[N@H+](C)Cc3ccccc3)c2)CC1 ZINC000516768536 503582964 /nfs/dbraw/zinc/58/29/64/503582964.db2.gz XNFXNCNBVIQUKC-UHFFFAOYSA-N 2 0 365.521 3.390 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)CC[C@@H]3CCC[NH2+]3)cc2)C1 ZINC000494683442 503591224 /nfs/dbraw/zinc/59/12/24/503591224.db2.gz AIBOSXVFQKNNGG-UEXGIBASSA-N 2 0 357.542 3.313 20 0 FGADRP Cc1ccccc1[C@@H]([C@@H](C)NC(=O)N1CCC([NH2+]C(C)C)CC1)[NH+](C)C ZINC000508899264 503594026 /nfs/dbraw/zinc/59/40/26/503594026.db2.gz TZROFRJODQVEQH-YLJYHZDGSA-N 2 0 360.546 3.158 20 0 FGADRP C[C@H](NC(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C)[C@H](c1ccccc1)[NH+](C)C ZINC000508903131 503595350 /nfs/dbraw/zinc/59/53/50/503595350.db2.gz FHMKEGSXVSPATK-YSIASYRMSA-N 2 0 360.546 3.194 20 0 FGADRP CC[NH+](CC)CCOC1CC[NH+](Cc2cc(OC)c(OC)cc2C)CC1 ZINC000536667626 503668354 /nfs/dbraw/zinc/66/83/54/503668354.db2.gz LSGPZLANOKZSBD-UHFFFAOYSA-N 2 0 364.530 3.335 20 0 FGADRP C[NH+](C)CCOC1CC[NH+](Cc2ccc(OC(F)F)c(Cl)c2)CC1 ZINC000536675990 503675239 /nfs/dbraw/zinc/67/52/39/503675239.db2.gz HSZOAARDZRQKTJ-UHFFFAOYSA-N 2 0 362.848 3.484 20 0 FGADRP COc1ccc([C@@H](OC)[C@H](C)[NH2+]Cc2cn(-c3cc[nH+]cc3)nc2C)cc1 ZINC000543237002 503692304 /nfs/dbraw/zinc/69/23/04/503692304.db2.gz LEFFPLLMWZWSNO-KKSFZXQISA-N 2 0 366.465 3.450 20 0 FGADRP COCc1cccc(OCC2(C[N@@H+]3CC[C@@H]4[C@H](CCC[NH+]4C)C3)CC2)c1 ZINC000536731996 503701309 /nfs/dbraw/zinc/70/13/09/503701309.db2.gz WDTWFTBPGNNCNY-TZIWHRDSSA-N 2 0 358.526 3.408 20 0 FGADRP COCc1cccc(OCC2(C[N@@H+]3CC[C@@H]4[C@@H](CCC[NH+]4C)C3)CC2)c1 ZINC000536731995 503701704 /nfs/dbraw/zinc/70/17/04/503701704.db2.gz WDTWFTBPGNNCNY-PZJWPPBQSA-N 2 0 358.526 3.408 20 0 FGADRP CC[NH+](CC)CCC[NH2+][C@H]1CCCC[C@H](N2C(=O)c3ccccc3C2=O)C1 ZINC000533090561 503727923 /nfs/dbraw/zinc/72/79/23/503727923.db2.gz HOTFEUHVHHOGRF-ROUUACIJSA-N 2 0 371.525 3.305 20 0 FGADRP CC(C)[N@@H+]1CC[C@@H](CNC(=O)N2CCC(CCC[NH+]3CCCC3)CC2)C1 ZINC000533104249 503732192 /nfs/dbraw/zinc/73/21/92/503732192.db2.gz GCUKJICGYDMCFJ-FQEVSTJZSA-N 2 0 364.578 3.014 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)N1CC[C@@H]([NH+]2CCCCC2)C1)CC(C)C ZINC000517419804 503741309 /nfs/dbraw/zinc/74/13/09/503741309.db2.gz DOJBMESYEPZTQO-RTBURBONSA-N 2 0 352.567 3.013 20 0 FGADRP C[C@@H]1Cc2ccc(F)cc2[C@H]1[NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000536856997 503742387 /nfs/dbraw/zinc/74/23/87/503742387.db2.gz IDOXBZXSPAWIJS-VFNWGFHPSA-N 2 0 369.484 3.140 20 0 FGADRP C[C@H](CCNC(=O)c1ccc(Nc2cc[nH+]cc2)cc1)[NH+]1CCCCC1 ZINC000543383497 503746848 /nfs/dbraw/zinc/74/68/48/503746848.db2.gz DGZXOLQRVXIUDI-QGZVFWFLSA-N 2 0 352.482 3.241 20 0 FGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@H](c2ccc(F)cc2)c2ccccn2)CC1 ZINC000543405522 503757522 /nfs/dbraw/zinc/75/75/22/503757522.db2.gz ZBRGZYOBRFWBDU-PGRDOPGGSA-N 2 0 370.516 3.173 20 0 FGADRP C[NH+](C)CCN1CCC([NH2+][C@@H](c2cccnc2)c2ccc(F)cc2F)CC1 ZINC000543410176 503759083 /nfs/dbraw/zinc/75/90/83/503759083.db2.gz YVTFSIHWQJRAMC-NRFANRHFSA-N 2 0 374.479 3.065 20 0 FGADRP CC[C@H]([NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1)c1cccc(F)c1 ZINC000527351232 503773575 /nfs/dbraw/zinc/77/35/75/503773575.db2.gz MKHQGTYCTOMWGP-FQEVSTJZSA-N 2 0 371.504 3.259 20 0 FGADRP CC[NH+](CC)C[C@@H](C)NC(=O)NC[C@@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000517576320 503775772 /nfs/dbraw/zinc/77/57/72/503775772.db2.gz KEMUOGYGVJGOGV-MJGOQNOKSA-N 2 0 352.567 3.061 20 0 FGADRP C[C@@H]([NH2+]CCCn1c2ccccc2[nH]c1=O)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000543458987 503780502 /nfs/dbraw/zinc/78/05/02/503780502.db2.gz MOXOAXSVILINGN-SJORKVTESA-N 2 0 356.514 3.375 20 0 FGADRP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCC([NH+]3CCCCC3)CC2)C1 ZINC000517594859 503781625 /nfs/dbraw/zinc/78/16/25/503781625.db2.gz MVIZNZCJWDOHGA-SFHVURJKSA-N 2 0 364.578 3.157 20 0 FGADRP CCN1CCCC[C@@H]1C[NH2+][C@@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21 ZINC000537193311 503835879 /nfs/dbraw/zinc/83/58/79/503835879.db2.gz BAYHYPRXKDHPPA-UYAOXDASSA-N 2 0 357.542 3.439 20 0 FGADRP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000543644260 503838831 /nfs/dbraw/zinc/83/88/31/503838831.db2.gz HOYIWHHTUFPMBW-GUDVDZBRSA-N 2 0 366.594 3.116 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1)CC(C)C ZINC000517913529 503865583 /nfs/dbraw/zinc/86/55/83/503865583.db2.gz KMRUTNPTJUXPNP-RBUKOAKNSA-N 2 0 354.583 3.163 20 0 FGADRP CC[C@H]([NH2+][C@@H](CC(C)C)C(=O)NCC[NH+](C)C)c1ccc(F)cc1F ZINC000540744215 503877029 /nfs/dbraw/zinc/87/70/29/503877029.db2.gz CKVJIQRNSSFTKY-ROUUACIJSA-N 2 0 355.473 3.098 20 0 FGADRP CC(C)[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1cc2ccccc2o1 ZINC000537345383 503884345 /nfs/dbraw/zinc/88/43/45/503884345.db2.gz ZGOQDZUJNKUXDR-FXAWDEMLSA-N 2 0 357.498 3.307 20 0 FGADRP Cc1cccc(C(C)C)c1NC(=O)CN1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530239274 503887643 /nfs/dbraw/zinc/88/76/43/503887643.db2.gz RBYUBBAIGXSMHS-IBGZPJMESA-N 2 0 373.541 3.147 20 0 FGADRP Fc1ccc(-c2cc(C[NH+]3CCC(CO[C@@H]4CC[NH2+]C4)CC3)on2)cc1 ZINC000530240317 503889163 /nfs/dbraw/zinc/88/91/63/503889163.db2.gz KOLNMMYYCZEJMT-GOSISDBHSA-N 2 0 359.445 3.071 20 0 FGADRP CC[C@H]([NH2+][C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C)c1ccc(F)cc1 ZINC000540788197 503893025 /nfs/dbraw/zinc/89/30/25/503893025.db2.gz AORWZMIONAXEME-SFTDATJTSA-N 2 0 371.500 3.156 20 0 FGADRP CCC[NH+]1CCN(c2ccccc2C[NH2+]CC2([C@H](O)C(C)C)CC2)CC1 ZINC000537383245 503896859 /nfs/dbraw/zinc/89/68/59/503896859.db2.gz KZGHIQUWXIGTMR-OAQYLSRUSA-N 2 0 359.558 3.105 20 0 FGADRP C[NH+](C)CC1(CNC(=O)C2CC[NH+](Cc3ccccc3)CC2)CCCC1 ZINC000546842353 503897913 /nfs/dbraw/zinc/89/79/13/503897913.db2.gz SHRPKNFRWFCHGH-UHFFFAOYSA-N 2 0 357.542 3.137 20 0 FGADRP CC1(C)CCC[C@H](CC(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000533714602 503932115 /nfs/dbraw/zinc/93/21/15/503932115.db2.gz MWLLHEYVUIOTGY-LJQANCHMSA-N 2 0 372.557 3.316 20 0 FGADRP CC[NH+](CC)CCCC1CCN(C(=O)N[C@H](C)C[NH+]2CCCCC2)CC1 ZINC000543946643 503947632 /nfs/dbraw/zinc/94/76/32/503947632.db2.gz NDRRQDXMLIOWGN-LJQANCHMSA-N 2 0 366.594 3.404 20 0 FGADRP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+]C[C@@H](O)COCc2ccccc2Cl)C1 ZINC000518362220 503963298 /nfs/dbraw/zinc/96/32/98/503963298.db2.gz KNSHSRYKPAAMRW-PKOBYXMFSA-N 2 0 368.949 3.175 20 0 FGADRP COCC[C@@H](c1ccccc1)[NH+]1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000533832055 503964738 /nfs/dbraw/zinc/96/47/38/503964738.db2.gz QJWZJXLCYBIINX-VWPQPMDRSA-N 2 0 359.558 3.255 20 0 FGADRP C[C@H](CNC(=O)NCC[NH+]1[C@H](C)CCC[C@H]1C)[N@H+](C)Cc1ccccc1 ZINC000518438960 503985345 /nfs/dbraw/zinc/98/53/45/503985345.db2.gz SCBXNVRNLBNFKU-GUDVDZBRSA-N 2 0 360.546 3.069 20 0 FGADRP C[C@@H]([NH2+]C[C@H](n1cccn1)C(F)(F)F)c1cccc(OCC[NH+](C)C)c1 ZINC000527929666 504002871 /nfs/dbraw/zinc/00/28/71/504002871.db2.gz DYULVEZUGBYCLQ-PBHICJAKSA-N 2 0 370.419 3.278 20 0 FGADRP C[NH+](C)Cc1ccc(C(=O)NC[C@@H](c2ccc(Cl)cc2)[NH+](C)C)cc1 ZINC000530602879 504023872 /nfs/dbraw/zinc/02/38/72/504023872.db2.gz SFAWLQFUOPYXJQ-IBGZPJMESA-N 2 0 359.901 3.434 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N1CC[C@H]([NH+]2CCCCC2)C1)c1ccccc1 ZINC000518612073 504027707 /nfs/dbraw/zinc/02/77/07/504027707.db2.gz XDKZIKXXMYDSSW-LEWJYISDSA-N 2 0 372.557 3.339 20 0 FGADRP O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000518628879 504032099 /nfs/dbraw/zinc/03/20/99/504032099.db2.gz QXOFSIHDLVKAOI-MOPGFXCFSA-N 2 0 374.529 3.076 20 0 FGADRP C[N@@H+]1CCC[C@H](CNC(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)C1 ZINC000518669716 504039385 /nfs/dbraw/zinc/03/93/85/504039385.db2.gz KTSLNUNBUPBWIF-OAQYLSRUSA-N 2 0 372.557 3.204 20 0 FGADRP C[C@H]1CN(C2CC2)C[C@H]1[NH2+]CCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000518757726 504054897 /nfs/dbraw/zinc/05/48/97/504054897.db2.gz JPXBQVCOUPANFH-BLLLJJGKSA-N 2 0 355.404 3.106 20 0 FGADRP COc1cccc([C@@H](CNC(=O)c2ccc([C@H](C)[NH3+])cc2)[NH+]2CCCC2)c1 ZINC000518763227 504056633 /nfs/dbraw/zinc/05/66/33/504056633.db2.gz WZTTZKFTZAIKKU-HRAATJIYSA-N 2 0 367.493 3.282 20 0 FGADRP C[C@H](CCNC(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1)[NH+]1CCCCC1 ZINC000544289594 504075160 /nfs/dbraw/zinc/07/51/60/504075160.db2.gz SIUFGXAARWIIKF-TZIWHRDSSA-N 2 0 372.557 3.215 20 0 FGADRP C[C@@H](CCNC(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1)[NH+]1CCCCC1 ZINC000544297794 504077984 /nfs/dbraw/zinc/07/79/84/504077984.db2.gz CQMQLAFQDRWQBH-PZJWPPBQSA-N 2 0 372.557 3.387 20 0 FGADRP CSc1ccc(C[NH+]2CCC(C)(C[NH+]3CCN(C)CC3)CC2)s1 ZINC000518848665 504079571 /nfs/dbraw/zinc/07/95/71/504079571.db2.gz SQFOJSZVOKIQEY-UHFFFAOYSA-N 2 0 353.601 3.320 20 0 FGADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+](CCO)[C@H]1CCCc2ccccc21 ZINC000544347010 504097678 /nfs/dbraw/zinc/09/76/78/504097678.db2.gz AUEJBBFBAKWTOL-QFIPXVFZSA-N 2 0 362.477 3.448 20 0 FGADRP C[C@@H]1C[NH+](CCCC[NH2+][C@@H]2CCN(Cc3ccccc3)C[C@@H]2C)C[C@@H](C)O1 ZINC000537971274 504099550 /nfs/dbraw/zinc/09/95/50/504099550.db2.gz GNZDJRUNOKZWHV-ZZLPTCMGSA-N 2 0 373.585 3.376 20 0 FGADRP Cc1cc(C[N@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)cc2cccnc12 ZINC000544352198 504099951 /nfs/dbraw/zinc/09/99/51/504099951.db2.gz YBYOBAJDEMERSW-NRFANRHFSA-N 2 0 352.526 3.144 20 0 FGADRP C[NH+](C)CCNC(=O)c1ccc(C[NH2+][C@H]2CCc3ccc(Cl)cc32)cc1 ZINC000537973480 504099945 /nfs/dbraw/zinc/09/99/45/504099945.db2.gz LQKCNOVCWKEPOE-FQEVSTJZSA-N 2 0 371.912 3.409 20 0 FGADRP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)NCCCCC[NH+]1CCCCC1 ZINC000518974172 504107159 /nfs/dbraw/zinc/10/71/59/504107159.db2.gz UQHWZDNPNMLOCL-RTBURBONSA-N 2 0 352.567 3.205 20 0 FGADRP CC(C)[C@H](C[NH2+][C@@H](C[C@H]1CCOC1)c1ccccc1)N1CC[NH+](C)CC1 ZINC000534353968 504120600 /nfs/dbraw/zinc/12/06/00/504120600.db2.gz UYRZQPKTTLHCGC-HJNYFJLDSA-N 2 0 359.558 3.016 20 0 FGADRP CC[NH+]1CCC(n2nccc2NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000530913664 504128436 /nfs/dbraw/zinc/12/84/36/504128436.db2.gz BWIYHMNEQUIUDW-KRWDZBQOSA-N 2 0 373.545 3.133 20 0 FGADRP Cc1ncc2c(n1)CC[C@@H]([NH2+]C1CC[NH+]([C@H](C)Cc3ccccc3)CC1)C2 ZINC000519076319 504133906 /nfs/dbraw/zinc/13/39/06/504133906.db2.gz HKNPWMQZPYPVET-VGOFRKELSA-N 2 0 364.537 3.328 20 0 FGADRP CO[C@]1(C)CCC[N@H+](Cc2cncc(C[NH+]3CCC[C@](C)(OC)C3)c2)C1 ZINC000519078864 504134850 /nfs/dbraw/zinc/13/48/50/504134850.db2.gz RHSSETFADXMQDA-OYRHEFFESA-N 2 0 361.530 3.083 20 0 FGADRP CN1CC[NH+](CC2(C)CC[NH+](CCOc3cccc(Cl)c3)CC2)CC1 ZINC000544489178 504151816 /nfs/dbraw/zinc/15/18/16/504151816.db2.gz JFVXFEDRRPJTML-UHFFFAOYSA-N 2 0 365.949 3.068 20 0 FGADRP Cc1cnc([C@@H](C)[NH2+]CCOCC[NH2+][C@@H](C)c2ncc(C)s2)s1 ZINC000544514594 504158744 /nfs/dbraw/zinc/15/87/44/504158744.db2.gz KTNKBUFCJSYGBA-OKILXGFUSA-N 2 0 354.545 3.234 20 0 FGADRP CC[NH+]1CCN(CCC[NH2+][C@@H](c2cccnc2)c2ccc(F)cc2F)CC1 ZINC000541552039 504174486 /nfs/dbraw/zinc/17/44/86/504174486.db2.gz BUKMPAWCLPTRSN-NRFANRHFSA-N 2 0 374.479 3.066 20 0 FGADRP Cn1ccnc1[C@H]1CC[N@H+](Cc2nn(-c3ccc(F)cc3)c3c2CCC3)C1 ZINC000541589561 504190114 /nfs/dbraw/zinc/19/01/14/504190114.db2.gz CQCHOQAAQLGSKA-HNNXBMFYSA-N 2 0 365.456 3.223 20 0 FGADRP CC(C)C[NH+]1CCC(NC(=O)c2ccc(Nc3cc[nH+]cc3)cc2)CC1 ZINC000531114314 504194388 /nfs/dbraw/zinc/19/43/88/504194388.db2.gz HVQRAVJZWMBBTR-UHFFFAOYSA-N 2 0 352.482 3.097 20 0 FGADRP C[C@H](C[NH+]1CCCCC1)NC(=O)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000519361821 504201737 /nfs/dbraw/zinc/20/17/37/504201737.db2.gz FJNSQSRFRKEFDC-MJGOQNOKSA-N 2 0 361.505 3.028 20 0 FGADRP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000519483984 504230304 /nfs/dbraw/zinc/23/03/04/504230304.db2.gz PHGPKERRXIFDFT-SFTDATJTSA-N 2 0 372.557 3.215 20 0 FGADRP CC(C)CO[C@H]1C[C@@H]([NH2+]CC2(N3CCCCC3)CC[NH+](C)CC2)C1(C)C ZINC000538394173 504233446 /nfs/dbraw/zinc/23/34/46/504233446.db2.gz QALOGUUPVLDUSP-UXHICEINSA-N 2 0 365.606 3.366 20 0 FGADRP CCO[C@@H]1C[C@H]([NH2+][C@H](CN2CC[NH+](C)CC2)c2ccccc2)C12CCCC2 ZINC000538396725 504233965 /nfs/dbraw/zinc/23/39/65/504233965.db2.gz WMIUVPFFARCVFG-BHIFYINESA-N 2 0 371.569 3.303 20 0 FGADRP CC[N@H+](Cc1ccc(C(=O)NCCCNc2ccc(C)cn2)cc1)C(C)C ZINC000531250374 504242923 /nfs/dbraw/zinc/24/29/23/504242923.db2.gz WKXLWYSIZNZLDZ-UHFFFAOYSA-N 2 0 368.525 3.274 20 0 FGADRP C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2Cc2ccccc2)C1 ZINC000531296647 504256189 /nfs/dbraw/zinc/25/61/89/504256189.db2.gz YKWJXTSAODOLPJ-VXKWHMMOSA-N 2 0 369.553 3.231 20 0 FGADRP CC[N@H+](CCC1CCN(C(=O)c2c[nH+]ccc2N(C)C)CC1)CC1CC1 ZINC000544793679 504260755 /nfs/dbraw/zinc/26/07/55/504260755.db2.gz AQRBKSAMWKQBTR-UHFFFAOYSA-N 2 0 358.530 3.122 20 0 FGADRP COc1ccc([C@H](C)[NH2+][C@@H](CC(C)C)C(=O)NCC[NH+](C)C)cc1Cl ZINC000538548083 504281270 /nfs/dbraw/zinc/28/12/70/504281270.db2.gz XBRNIHFZULMBOU-YOEHRIQHSA-N 2 0 369.937 3.092 20 0 FGADRP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@]23C[NH2+]C[C@@H]2CCCC3)CC1 ZINC000519641980 504286503 /nfs/dbraw/zinc/28/65/03/504286503.db2.gz HTWZTQVHIUTOMF-ZWCUEREDSA-N 2 0 355.526 3.108 20 0 FGADRP CC[C@H](C)NC(=O)[C@@H](C)[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000534963659 504294869 /nfs/dbraw/zinc/29/48/69/504294869.db2.gz HJBXEFYZXFJICY-RBUKOAKNSA-N 2 0 357.542 3.278 20 0 FGADRP C[C@@H]([NH2+]CCCC[NH+]1CCN(CCO)CC1)c1ccccc1C(C)(C)C ZINC000535086428 504339010 /nfs/dbraw/zinc/33/90/10/504339010.db2.gz AZYOTBVGZJTRQA-LJQANCHMSA-N 2 0 361.574 3.025 20 0 FGADRP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(OCc3noc(C)n3)cc2)C[C@H]1C ZINC000538720175 504342523 /nfs/dbraw/zinc/34/25/23/504342523.db2.gz KYBHCWKCIKXFIW-CRAIPNDOSA-N 2 0 358.486 3.262 20 0 FGADRP CC(C)[NH+]1CCC(N2CC[NH+](Cc3ccc4ncccc4c3)CC2)CC1 ZINC000538763546 504362974 /nfs/dbraw/zinc/36/29/74/504362974.db2.gz JOKKCXXGPHMHFD-UHFFFAOYSA-N 2 0 352.526 3.225 20 0 FGADRP CC1CC[NH+](CCc2cccc(NC(=O)NC[C@@H]3CCC[N@H+](C)C3)c2)CC1 ZINC000538773325 504364231 /nfs/dbraw/zinc/36/42/31/504364231.db2.gz JBKNCNNAQSDCIC-FQEVSTJZSA-N 2 0 372.557 3.424 20 0 FGADRP C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+][C@@H]1CCN(C2CC2)C1 ZINC000531702583 504396528 /nfs/dbraw/zinc/39/65/28/504396528.db2.gz BNSBROXOBBCERZ-TZMCWYRMSA-N 2 0 371.403 3.129 20 0 FGADRP C[N@@H+]1CCCC12CCN(CCOc1ccc(Br)cc1)CC2 ZINC000542269207 504432427 /nfs/dbraw/zinc/43/24/27/504432427.db2.gz FREAYSXDXUAHLV-UHFFFAOYSA-N 2 0 353.304 3.388 20 0 FGADRP Cc1ccc([C@@H](CNC(=O)CC[N@@H+](C)C2CCCCC2)[NH+]2CCCC2)o1 ZINC000545309091 504439102 /nfs/dbraw/zinc/43/91/02/504439102.db2.gz SKHFQPZXDZFRBL-LJQANCHMSA-N 2 0 361.530 3.496 20 0 FGADRP CCn1nc(C)c(C[NH2+]CC2(N3CCOC(C)(C)C3)CCCCC2)c1C ZINC000520228925 504440520 /nfs/dbraw/zinc/44/05/20/504440520.db2.gz SZWDAECTFULJPC-UHFFFAOYSA-N 2 0 362.562 3.423 20 0 FGADRP CC[N@H+](CCC1CC[NH+](CC(=O)N2CCC[C@@H](C)C2)CC1)CC(C)C ZINC000539100404 504473050 /nfs/dbraw/zinc/47/30/50/504473050.db2.gz VWBPGCLUEQSKOJ-LJQANCHMSA-N 2 0 351.579 3.325 20 0 FGADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCC[NH+](Cc2cccc(F)c2)C1 ZINC000520346878 504474012 /nfs/dbraw/zinc/47/40/12/504474012.db2.gz FSLWHKPDVWRCNT-QUCCMNQESA-N 2 0 361.505 3.028 20 0 FGADRP C[C@@H](CNC(=O)C1CC[NH+](Cc2ccccc2)CC1)C[NH+]1CCCCC1 ZINC000520360840 504477270 /nfs/dbraw/zinc/47/72/70/504477270.db2.gz NETNWDKDEOYQOH-IBGZPJMESA-N 2 0 357.542 3.137 20 0 FGADRP c1csc(C[NH+]2CCC(C[NH2+]C3CCN(c4cnccn4)CC3)CC2)c1 ZINC000531950241 504484485 /nfs/dbraw/zinc/48/44/85/504484485.db2.gz LFLWNPJINPDHTH-UHFFFAOYSA-N 2 0 371.554 3.009 20 0 FGADRP C[NH+](C)CCc1ccccc1NC(=O)NC[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000529079492 504523339 /nfs/dbraw/zinc/52/33/39/504523339.db2.gz TZCWXHWVLNMBRO-IBGZPJMESA-N 2 0 358.530 3.319 20 0 FGADRP C[NH+](C)[C@H]1CCc2cc(NC(=O)NC[C@@H]3CC[N@@H+]3C3CCCC3)ccc21 ZINC000529116502 504541003 /nfs/dbraw/zinc/54/10/03/504541003.db2.gz YJIOQESWUMZJTF-ICSRJNTNSA-N 2 0 356.514 3.374 20 0 FGADRP CCC[NH+]1CCN(c2ccccc2C[N@@H+]2CCC[C@H]([C@@H]3CCOC3)C2)CC1 ZINC000535806504 504550819 /nfs/dbraw/zinc/55/08/19/504550819.db2.gz ZFNVYJWRSMYMHQ-RBBKRZOGSA-N 2 0 371.569 3.467 20 0 FGADRP C[C@@H]([NH2+][C@H](CN1CC[NH+](C)CC1)c1ccccc1)c1ccc2c(c1)COC2 ZINC000532214324 504575437 /nfs/dbraw/zinc/57/54/37/504575437.db2.gz KDGWMTXKSBVENX-WZONZLPQSA-N 2 0 365.521 3.356 20 0 FGADRP CCC[N@@H+]1CCC[C@H]1CNC(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000548814904 504577393 /nfs/dbraw/zinc/57/73/93/504577393.db2.gz XTBGWTFKCUOYKC-ZWKOTPCHSA-N 2 0 366.937 3.116 20 0 FGADRP Cc1ccc([C@H](CNC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)[NH+](C)C)cc1 ZINC000520854019 504597244 /nfs/dbraw/zinc/59/72/44/504597244.db2.gz TYDJUYDFHPIALB-VXKWHMMOSA-N 2 0 365.521 3.379 20 0 FGADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)NC[C@@H]1CCC[NH+](C(C)C)C1 ZINC000520908842 504608243 /nfs/dbraw/zinc/60/82/43/504608243.db2.gz FAXNRZKVBRBGTH-RBUKOAKNSA-N 2 0 352.567 3.061 20 0 FGADRP C[C@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)CCN(C)c1cc[nH+]cc1 ZINC000542786189 504609733 /nfs/dbraw/zinc/60/97/33/504609733.db2.gz IAJALVCHLTZWCU-OALUTQOASA-N 2 0 366.509 3.029 20 0 FGADRP C[NH2+]Cc1ccccc1NC(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000521001291 504627435 /nfs/dbraw/zinc/62/74/35/504627435.db2.gz LHLQHMXVOIGCMX-SFHVURJKSA-N 2 0 360.889 3.484 20 0 FGADRP CC(C)C[C@H]([NH2+][C@@H]1CC2(CCC2)Oc2ccccc21)C(=O)NCC[NH+](C)C ZINC000539646181 504637976 /nfs/dbraw/zinc/63/79/76/504637976.db2.gz YXVAODFYGJOHTI-RBUKOAKNSA-N 2 0 373.541 3.115 20 0 FGADRP Cc1cc(NCc2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)nc(C2CC2)n1 ZINC000521059973 504639701 /nfs/dbraw/zinc/63/97/01/504639701.db2.gz RYAVTYBCQUCUEM-CALCHBBNSA-N 2 0 366.509 3.306 20 0 FGADRP Cc1ccc(C[NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c(-c2ccnn2C)c1 ZINC000548976730 504642151 /nfs/dbraw/zinc/64/21/51/504642151.db2.gz FCOXQBSISLUDNK-KDURUIRLSA-N 2 0 370.541 3.375 20 0 FGADRP C[NH+](C)C[C@@H](NC(=O)N1CCC(C)([NH3+])CC1)c1ccc(Cl)c(Cl)c1 ZINC000529386396 504651058 /nfs/dbraw/zinc/65/10/58/504651058.db2.gz NCFQGJLHHDAUPU-OAHLLOKOSA-N 2 0 373.328 3.119 20 0 FGADRP C[C@@H]1C[N@H+](Cc2cccc(-c3ccncc3)c2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000539822807 504704647 /nfs/dbraw/zinc/70/46/47/504704647.db2.gz MWQYSVMZBDQOFT-XXBNENTESA-N 2 0 364.537 3.206 20 0 FGADRP Cc1ccc(C[NH+]2CCC(OCC[NH+](C)C)CC2)cc1Br ZINC000539833131 504708636 /nfs/dbraw/zinc/70/86/36/504708636.db2.gz LNGMENKUYOAGBZ-UHFFFAOYSA-N 2 0 355.320 3.300 20 0 FGADRP C[C@H](C[NH2+][C@H]1CCCc2c(Br)cccc21)N1CC[NH+](C)CC1 ZINC000543081623 504716758 /nfs/dbraw/zinc/71/67/58/504716758.db2.gz YHZKYCYAKPBBCL-KDOFPFPSSA-N 2 0 366.347 3.052 20 0 FGADRP Clc1cc2c(c(C[NH+]3CCC(OCC[NH+]4CCCC4)CC3)c1)OCC2 ZINC000543092373 504721245 /nfs/dbraw/zinc/72/12/45/504721245.db2.gz SLEMYDWHNLOXKD-UHFFFAOYSA-N 2 0 364.917 3.352 20 0 FGADRP Cc1ccc(-c2nc(C[NH+]3CCC([C@@H]4C[C@H]([NH3+])CCO4)CC3)co2)cc1 ZINC000521406465 504727840 /nfs/dbraw/zinc/72/78/40/504727840.db2.gz FRURQDGTNXJITL-QUCCMNQESA-N 2 0 355.482 3.368 20 0 FGADRP C[NH+](C)CCOCC[NH2+][C@H]1CCCCc2cc(Br)ccc21 ZINC000549222556 504728595 /nfs/dbraw/zinc/72/85/95/504728595.db2.gz OGMGDOKLRUXOKY-KRWDZBQOSA-N 2 0 355.320 3.384 20 0 FGADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H]1CCc2cccc(Br)c2C1 ZINC000521470435 504743301 /nfs/dbraw/zinc/74/33/01/504743301.db2.gz QRUVCJVBZLRTAJ-HZPDHXFCSA-N 2 0 369.347 3.253 20 0 FGADRP C[C@H](C[NH2+]CCN1CCC([NH+](C)C)CC1)c1ccc(C(F)(F)F)cc1 ZINC000521512145 504750359 /nfs/dbraw/zinc/75/03/59/504750359.db2.gz KMTHIJHRCZCEPN-OAHLLOKOSA-N 2 0 357.464 3.425 20 0 FGADRP CCC(CC)[C@H](CNC(=O)NCC[N@H+](C)C1CCCC1)[NH+]1CCCC1 ZINC000521521745 504752250 /nfs/dbraw/zinc/75/22/50/504752250.db2.gz KLIJLPWKSJEOTA-IBGZPJMESA-N 2 0 352.567 3.061 20 0 FGADRP CN(c1ccccc1C[NH+]1CC(Cc2ccco2)C1)C1CC[NH+](C)CC1 ZINC000529648426 504752754 /nfs/dbraw/zinc/75/27/54/504752754.db2.gz CRCSDAWJFUXULO-UHFFFAOYSA-N 2 0 353.510 3.485 20 0 FGADRP COC[C@@]1([NH2+]C2CCN(Cc3ccccc3)CC2)COc2ccccc2C1 ZINC000529669624 504757028 /nfs/dbraw/zinc/75/70/28/504757028.db2.gz TWFXXNPBCALDPW-HSZRJFAPSA-N 2 0 366.505 3.261 20 0 FGADRP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)NC(C)(C)C[N@H+](C)Cc2ccccc2)C1 ZINC000532838160 504765240 /nfs/dbraw/zinc/76/52/40/504765240.db2.gz DCPYAQFBAGCDLW-RBUKOAKNSA-N 2 0 360.546 3.069 20 0 FGADRP C[C@@H]([NH2+]Cc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1)C(C)(C)n1cncn1 ZINC000556234661 504824671 /nfs/dbraw/zinc/82/46/71/504824671.db2.gz WLKZSPBRQKQNDA-ZWKOTPCHSA-N 2 0 355.530 3.423 20 0 FGADRP CC[N@H+](CCNC(=O)NC[C@@H]1CCCC[NH+](Cc2ccccc2)C1)C1CC1 ZINC000565274259 504839955 /nfs/dbraw/zinc/83/99/55/504839955.db2.gz AKHZZRHITHUXKW-FQEVSTJZSA-N 2 0 372.557 3.072 20 0 FGADRP C[C@@H](C(=O)N1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000553172692 504844346 /nfs/dbraw/zinc/84/43/46/504844346.db2.gz YYEVDEBPDCDMAC-FAKFISEUSA-N 2 0 369.553 3.372 20 0 FGADRP c1sc(-c2ccc3c(c2)OCO3)nc1C[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000565302943 504848892 /nfs/dbraw/zinc/84/88/92/504848892.db2.gz ICRPPJGHRZBFLN-CVEARBPZSA-N 2 0 371.506 3.360 20 0 FGADRP C[C@H]1C[C@@H](NC(=O)NCC2CC[NH+](Cc3cccs3)CC2)c2nccn21 ZINC000562587117 504869646 /nfs/dbraw/zinc/86/96/46/504869646.db2.gz SGHCKAIPGPUHTD-WMLDXEAASA-N 2 0 373.526 3.162 20 0 FGADRP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C[NH+]1CCC(C)(C)C1 ZINC000553497584 504932086 /nfs/dbraw/zinc/93/20/86/504932086.db2.gz DSNYYTQECHDNCC-FQEVSTJZSA-N 2 0 357.542 3.089 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)Nc2cccc3c2CC[NH2+]C3)C1 ZINC000565705081 504964336 /nfs/dbraw/zinc/96/43/36/504964336.db2.gz FULKMLNGRYOQQU-QZTJIDSGSA-N 2 0 370.541 3.451 20 0 FGADRP C[NH+](C)Cc1c2ccccc2oc1C(=O)N1CCC[N@H+](CC2CCC2)CC1 ZINC000550101956 504967484 /nfs/dbraw/zinc/96/74/84/504967484.db2.gz XCVQIJMZPKDOTQ-UHFFFAOYSA-N 2 0 369.509 3.442 20 0 FGADRP C[NH+](C)CCOCC[NH2+][C@H]1CCCc2nc(-c3ccc(F)cc3)sc21 ZINC000560002818 504967500 /nfs/dbraw/zinc/96/75/00/504967500.db2.gz RVQVEAZWLBCNLC-INIZCTEOSA-N 2 0 363.502 3.494 20 0 FGADRP Cc1nc2ccccc2n1CCCCCN(C)Cc1nnc2n1CCC2 ZINC000565808403 504993222 /nfs/dbraw/zinc/99/32/22/504993222.db2.gz KGCRPMXVMKDHRP-UHFFFAOYSA-N 2 0 352.486 3.185 20 0 FGADRP CNC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000556884434 505005709 /nfs/dbraw/zinc/00/57/09/505005709.db2.gz KFYCWHBPVPDWLN-AHJNKEMKSA-N 2 0 369.553 3.182 20 0 FGADRP Clc1cccc(-c2noc(CC[NH2+][C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)n2)c1 ZINC000565945160 505035470 /nfs/dbraw/zinc/03/54/70/505035470.db2.gz XTNLLXQEJQNTND-ZACQAIPSSA-N 2 0 360.889 3.443 20 0 FGADRP Cc1ccc(C[N@H+]2CC[C@@H](CN(C)CC(=O)N(C(C)C)C(C)C)C2)s1 ZINC000563218992 505078429 /nfs/dbraw/zinc/07/84/29/505078429.db2.gz YJDFHYRQAXVHLG-SFHVURJKSA-N 2 0 365.587 3.456 20 0 FGADRP CC[NH+]1CCC(C[NH2+]CCC(=O)Nc2cccc(C(F)(F)F)c2)CC1 ZINC000566108476 505083247 /nfs/dbraw/zinc/08/32/47/505083247.db2.gz FDTYJYOWLYBUSE-UHFFFAOYSA-N 2 0 357.420 3.356 20 0 FGADRP C[NH+](C)Cc1ccccc1C(=O)NC[C@@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000563262164 505090733 /nfs/dbraw/zinc/09/07/33/505090733.db2.gz LAQAOYMODFBGFN-SFHVURJKSA-N 2 0 373.928 3.477 20 0 FGADRP CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)C[C@H]1CCCC[C@H]1[NH3+] ZINC000566171968 505104305 /nfs/dbraw/zinc/10/43/05/505104305.db2.gz LDKJKVMQMJDPAP-IAGOWNOFSA-N 2 0 371.529 3.224 20 0 FGADRP CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2)CC1 ZINC000566208358 505111991 /nfs/dbraw/zinc/11/19/91/505111991.db2.gz OPPXTJWFZBFFQT-NHCUHLMSSA-N 2 0 369.553 3.278 20 0 FGADRP Cc1sccc1CN1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000560523809 505114012 /nfs/dbraw/zinc/11/40/12/505114012.db2.gz CNJKHPYDDNFGSM-NRFANRHFSA-N 2 0 355.551 3.449 20 0 FGADRP CN(c1ccccc1C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1)C1CC[NH+](C)CC1 ZINC000566230130 505119220 /nfs/dbraw/zinc/11/92/20/505119220.db2.gz KLSBFUZKDXOGDC-HXUWFJFHSA-N 3 0 370.585 3.039 20 0 FGADRP C[C@@H]([NH2+]CCCC[NH+]1CCN(Cc2ccccc2)CC1)[C@@]1(C)CCCO1 ZINC000550886269 505119754 /nfs/dbraw/zinc/11/97/54/505119754.db2.gz GOXICPJAUZGACQ-IFMALSPDSA-N 2 0 359.558 3.132 20 0 FGADRP O=C(NC[C@@H]1CCC[N@@H+]1C1CCCCC1)Nc1ccc2c(c1)C[NH2+]CCO2 ZINC000563507189 505161171 /nfs/dbraw/zinc/16/11/71/505161171.db2.gz LJJZYONDPPWOEC-IBGZPJMESA-N 2 0 372.513 3.087 20 0 FGADRP CC1(C)CC[N@H+](CC(=O)N[C@H]2CC[NH+](Cc3ccccc3)CC2(C)C)C1 ZINC000566459982 505181910 /nfs/dbraw/zinc/18/19/10/505181910.db2.gz NNRWPPMFBFXETR-IBGZPJMESA-N 2 0 357.542 3.135 20 0 FGADRP C[NH+]1CCC(O)(C[NH2+]Cc2csc3c2cccc3Br)CC1 ZINC000566498732 505190445 /nfs/dbraw/zinc/19/04/45/505190445.db2.gz HBBXGOCCZPMIMB-UHFFFAOYSA-N 2 0 369.328 3.210 20 0 FGADRP c1ccc2nc(N3CC[NH+](Cc4ccc5c(c4)C[NH2+]CC5)CC3)ccc2c1 ZINC000563632033 505197260 /nfs/dbraw/zinc/19/72/60/505197260.db2.gz VGVWCKJDPMIRKC-UHFFFAOYSA-N 2 0 358.489 3.203 20 0 FGADRP C[C@H]1C[C@@H]([NH2+]CCCC[NH+]2CCN(c3ncccn3)CC2)c2ccccc21 ZINC000563747898 505226822 /nfs/dbraw/zinc/22/68/22/505226822.db2.gz OAMIUPWYVXJWHV-GHTZIAJQSA-N 2 0 365.525 3.217 20 0 FGADRP CC[NH+](CC)[C@H](C(=O)NC[C@@H](C)C[NH+](C)C)c1cccc(C(F)(F)F)c1 ZINC000561096541 505250162 /nfs/dbraw/zinc/25/01/62/505250162.db2.gz ZWJJZJHSSOCDOP-PBHICJAKSA-N 2 0 373.463 3.402 20 0 FGADRP C[NH+](C)CCOc1cnccc1C[NH2+][C@H]1CSCCc2ccccc21 ZINC000554742313 505253874 /nfs/dbraw/zinc/25/38/74/505253874.db2.gz SDMJVPMXBQQLLQ-IBGZPJMESA-N 2 0 357.523 3.142 20 0 FGADRP CC(C)c1ccc([C@H]([NH3+])CNC(=O)N2CCC([C@@H]3[NH2+]CC3(C)C)CC2)cc1 ZINC000561211554 505282406 /nfs/dbraw/zinc/28/24/06/505282406.db2.gz GLSQOBDDSGNDSF-UXHICEINSA-N 2 0 372.557 3.229 20 0 FGADRP CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCC1([NH3+])CCCCCC1 ZINC000566962898 505324607 /nfs/dbraw/zinc/32/46/07/505324607.db2.gz SCMRUFBHUGHZOS-HXUWFJFHSA-N 2 0 372.557 3.202 20 0 FGADRP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCC1([NH3+])CCCCCC1 ZINC000566962891 505325058 /nfs/dbraw/zinc/32/50/58/505325058.db2.gz SCMRUFBHUGHZOS-FQEVSTJZSA-N 2 0 372.557 3.202 20 0 FGADRP CC[C@@H]([NH2+]Cc1cncc(C[NH2+][C@@H](CC)[C@H]2CCCO2)c1)[C@H]1CCCO1 ZINC000564168760 505343416 /nfs/dbraw/zinc/34/34/16/505343416.db2.gz QVXHLEVGJADCFH-PLACYPQZSA-N 2 0 361.530 3.176 20 0 FGADRP C[N@@H+]1CC[C@H]([NH2+]CC2(N3CCSCC3)CCCCC2)[C@@H]2CCC[C@@H]21 ZINC000552043957 505379846 /nfs/dbraw/zinc/37/98/46/505379846.db2.gz IERNONIFXQDNEQ-FHWLQOOXSA-N 2 0 351.604 3.201 20 0 FGADRP CC(C)CC[NH+]1CCC(C[NH2+][C@H](C)c2ccc3c(c2)OCC(=O)N3)CC1 ZINC000552043744 505380179 /nfs/dbraw/zinc/38/01/79/505380179.db2.gz AEWDRIKRSMWTOG-MRXNPFEDSA-N 2 0 359.514 3.426 20 0 FGADRP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)c2ccccc21 ZINC000555233730 505386282 /nfs/dbraw/zinc/38/62/82/505386282.db2.gz FJWLWMPBTRPNLH-DUXKGJEZSA-N 2 0 374.525 3.259 20 0 FGADRP Cc1ncc2n1CC[C@@H](C(=O)NC1CC[NH+]([C@@H](C)c3ccccc3)CC1)C2 ZINC000564472379 505428919 /nfs/dbraw/zinc/42/89/19/505428919.db2.gz CQYICCIHTHFWDH-QFBILLFUSA-N 2 0 366.509 3.096 20 0 FGADRP CC[NH+]1CCC(CNC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000555424639 505430528 /nfs/dbraw/zinc/43/05/28/505430528.db2.gz IMHCWHWPJSZJGK-UHFFFAOYSA-N 2 0 357.542 3.137 20 0 FGADRP CN(C)C(=O)CCC[NH2+][C@@H]1CCCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000552251221 505441892 /nfs/dbraw/zinc/44/18/92/505441892.db2.gz OHOAJYMMSWYNDZ-NJDAHSKKSA-N 2 0 357.542 3.135 20 0 FGADRP C[NH+]1CCN(c2cc[nH+]cc2N[C@H]2CCC[C@@H](c3cccnc3)C2)CC1 ZINC000558620857 505442370 /nfs/dbraw/zinc/44/23/70/505442370.db2.gz QYDUMZGYKGVYFG-MJGOQNOKSA-N 2 0 351.498 3.367 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1CCC(=O)N1CCC[NH+](CCCc2ccccc2)CC1 ZINC000555548752 505453690 /nfs/dbraw/zinc/45/36/90/505453690.db2.gz MGEOMQCAOWXJKY-OAQYLSRUSA-N 2 0 371.569 3.418 20 0 FGADRP C[C@H](c1ccc(NC(=O)CC[N@@H+]2CCCC[C@@H]2C)cc1)N1CCOCC1 ZINC000555558098 505456793 /nfs/dbraw/zinc/45/67/93/505456793.db2.gz GEESCFMPFXLBPW-ZWKOTPCHSA-N 2 0 359.514 3.283 20 0 FGADRP COc1ccc(C[C@H](C)[NH2+]CC2(SC)CC[NH+](C)CC2)c(C)c1OC ZINC000567525438 505488229 /nfs/dbraw/zinc/48/82/29/505488229.db2.gz PDRTZXYOGGSHGS-HNNXBMFYSA-N 2 0 366.571 3.360 20 0 FGADRP COc1ccc([C@@H](Cc2ccccc2)[NH2+][C@H](C)CN2CC[NH+](C)CC2)cc1 ZINC000562095990 505517822 /nfs/dbraw/zinc/51/78/22/505517822.db2.gz PEWCWCRAARLDSN-AUSIDOKSSA-N 2 0 367.537 3.205 20 0 FGADRP Cc1nc(-c2ccc(CC[NH2+][C@@H]3CCOC[C@@H]3[C@H](C)[NH3+])s2)cs1 ZINC000564791832 505520768 /nfs/dbraw/zinc/52/07/68/505520768.db2.gz OCMAZKADUWPLKC-NILFDRSVSA-N 2 0 351.541 3.064 20 0 FGADRP c1cn(-c2cccc(C[NH2+][C@@H]3C[C@]4(CC[NH2+]C4)Oc4ccccc43)c2)cn1 ZINC000567641533 505521687 /nfs/dbraw/zinc/52/16/87/505521687.db2.gz LWKVERPILOSKPS-IRLDBZIGSA-N 2 0 360.461 3.218 20 0 FGADRP NC1(C[NH2+][C@@H]2CCC[C@@H]([C@H]3CCOC3)C2)CC[NH+](Cc2ccccc2)CC1 ZINC000567652925 505525528 /nfs/dbraw/zinc/52/55/28/505525528.db2.gz SZEWZTWMOKAMCL-BHIFYINESA-N 2 0 371.569 3.165 20 0 FGADRP O=C(c1ccc(C[NH+]2CCCCC2)cc1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000558912991 505528901 /nfs/dbraw/zinc/52/89/01/505528901.db2.gz JTCHONRZHQHCGO-OAQYLSRUSA-N 2 0 355.526 3.373 20 0 FGADRP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]C1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000564822674 505529658 /nfs/dbraw/zinc/52/96/58/505529658.db2.gz QFGNHBBRYVWBPN-BQFCYCMXSA-N 2 0 364.555 3.442 20 0 FGADRP C[C@H](C[NH2+]C[C@H](O)CO[C@H](C)c1ccc(Cl)cc1)C[NH+]1CCCC1 ZINC000567678562 505533409 /nfs/dbraw/zinc/53/34/09/505533409.db2.gz WBURQCBQIPTJHH-MDZRGWNJSA-N 2 0 354.922 3.100 20 0 FGADRP C[NH+](C)Cc1cccc(C[NH2+]C[C@H](O)COCc2ccc(Cl)cc2)c1 ZINC000564846022 505536711 /nfs/dbraw/zinc/53/67/11/505536711.db2.gz YHIFYDDTLDSAJG-FQEVSTJZSA-N 2 0 362.901 3.069 20 0 FGADRP C[NH+]1CCC(N2CCC([NH2+]CCc3ccc(F)cc3Cl)CC2)CC1 ZINC000562200215 505538122 /nfs/dbraw/zinc/53/81/22/505538122.db2.gz AQZKTJPDSYVCRY-UHFFFAOYSA-N 2 0 353.913 3.170 20 0 FGADRP C[C@H]([NH2+]C[C@H](O)COc1cccc(C(F)(F)F)c1)C(C)(C)C[NH+](C)C ZINC000564853669 505539504 /nfs/dbraw/zinc/53/95/04/505539504.db2.gz HKHRQJBYCRRNKT-ZFWWWQNUSA-N 2 0 362.436 3.011 20 0 FGADRP COc1cc2ccncc2cc1OC[C@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000562210695 505540828 /nfs/dbraw/zinc/54/08/28/505540828.db2.gz PLPCKMCXWHBXFV-HXUWFJFHSA-N 2 0 364.445 3.041 20 0 FGADRP CCc1[nH+]c2ccccc2c(NC[C@H](C)C[NH+]2CCN(CC)CC2)c1C ZINC000562240929 505549773 /nfs/dbraw/zinc/54/97/73/505549773.db2.gz NQMCHFGTZFTBQU-KRWDZBQOSA-N 2 0 354.542 3.213 20 0 FGADRP CC[NH+](CC)CCCC1CCN(C(=O)N[C@H](C)C[N@H+](C)C(C)C)CC1 ZINC000562252124 505553508 /nfs/dbraw/zinc/55/35/08/505553508.db2.gz BUUPCAAYHYKWBV-GOSISDBHSA-N 2 0 354.583 3.259 20 0 FGADRP Cc1cc(C(=O)C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c(C)n1CC(F)(F)F ZINC000567893708 505570377 /nfs/dbraw/zinc/57/03/77/505570377.db2.gz NEYINQBUFBYOBN-JKSUJKDBSA-N 2 0 371.447 3.171 20 0 FGADRP COc1ccccc1-c1ccc(C[NH2+]CCCC[NH+]2CCN(C)CC2)cc1 ZINC000608053667 506396387 /nfs/dbraw/zinc/39/63/87/506396387.db2.gz DVPKGQIQVATWID-UHFFFAOYSA-N 2 0 367.537 3.479 20 0 FGADRP [NH3+]C[C@H](NC(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1)c1ccc2ccccc2c1 ZINC000582894734 506477365 /nfs/dbraw/zinc/47/73/65/506477365.db2.gz LZEUQJRQEYDIIA-SFTDATJTSA-N 2 0 366.509 3.156 20 0 FGADRP CCOC(=O)C1([C@H](C)[NH2+][C@H](CC)Cc2ccc(F)cc2)CC[NH2+]CC1 ZINC000596650232 506509731 /nfs/dbraw/zinc/50/97/31/506509731.db2.gz KBAXBOHDJJOBFC-MAUKXSAKSA-N 2 0 350.478 3.058 20 0 FGADRP Cc1cnccc1OC1CCN([C@@H](C)C(=O)NCc2ccc(F)cc2)CC1 ZINC000583180245 506631502 /nfs/dbraw/zinc/63/15/02/506631502.db2.gz ADDAIEVKWIBITK-INIZCTEOSA-N 2 0 371.456 3.077 20 0 FGADRP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)N1CC[C@@H]([N@H+](C)Cc2ccccc2)C1 ZINC000608674013 506659212 /nfs/dbraw/zinc/65/92/12/506659212.db2.gz NEMVRGDDQZGNER-SFHLNBCPSA-N 2 0 372.557 3.165 20 0 FGADRP C[NH+](C)C1(CNC(=O)N[C@H](C[NH+]2CCCCC2)c2ccccc2)CCCC1 ZINC000604158159 506728721 /nfs/dbraw/zinc/72/87/21/506728721.db2.gz VUXIAQGNNOZSTQ-HXUWFJFHSA-N 2 0 372.557 3.387 20 0 FGADRP C[C@H](C(=O)NCC(C)(C)C[NH+](C)C)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000599973449 506732255 /nfs/dbraw/zinc/73/22/55/506732255.db2.gz HGUDSWOGMCLYIY-GOSISDBHSA-N 2 0 359.558 3.034 20 0 FGADRP C[C@H](CNC(=O)N[C@@H](C[NH+]1CCCCC1)c1ccccc1)C[NH+]1CCCC1 ZINC000604177205 506737716 /nfs/dbraw/zinc/73/77/16/506737716.db2.gz ZSGLEWRRLJZJGM-CTNGQTDRSA-N 2 0 372.557 3.245 20 0 FGADRP C[NH+]1CCN(C(C)(C)C[NH2+]Cc2ccc(-c3c(F)cccc3F)o2)CC1 ZINC000604414871 506825761 /nfs/dbraw/zinc/82/57/61/506825761.db2.gz IWTRESMPIVWLLA-UHFFFAOYSA-N 2 0 363.452 3.340 20 0 FGADRP Cc1ccc([C@H]([NH2+][C@H]2CC[C@H](C[NH3+])C2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000583559031 506849183 /nfs/dbraw/zinc/84/91/83/506849183.db2.gz NHGKSPMAYFMSTO-LRQRDZAKSA-N 2 0 372.534 3.205 20 0 FGADRP CCC[N@H+](CC)C[C@H](C)NC(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C[C@H]1C ZINC000583597299 506868020 /nfs/dbraw/zinc/86/80/20/506868020.db2.gz CZAZMNLXPKUFPG-SVFBPWRDSA-N 2 0 374.573 3.317 20 0 FGADRP C[C@@H]([NH2+]CC1CC[NH2+]CC1)c1ccc(OC[C@H]2CCCCO2)c(F)c1 ZINC000583687513 506917008 /nfs/dbraw/zinc/91/70/08/506917008.db2.gz KMURZJSVPVVNMZ-CRAIPNDOSA-N 2 0 350.478 3.424 20 0 FGADRP C[NH+](C)CC[C@@H](NC(=O)NCC1([NH+](C)C)CCCCCC1)C(C)(C)C ZINC000604776954 506939831 /nfs/dbraw/zinc/93/98/31/506939831.db2.gz RRAONERIWSYFFJ-QGZVFWFLSA-N 2 0 354.583 3.307 20 0 FGADRP Cc1ccc(CN(C(=O)C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)C2CC2)o1 ZINC000590786145 506955719 /nfs/dbraw/zinc/95/57/19/506955719.db2.gz CPULCXYAPJZGLP-UHFFFAOYSA-N 2 0 361.530 3.131 20 0 FGADRP CC(C)[N@H+](C)CC1CC[NH+](CC(=O)N(C)[C@H](C)c2ccc(F)cc2)CC1 ZINC000590787108 506958029 /nfs/dbraw/zinc/95/80/29/506958029.db2.gz RVKUPEADHQHDOP-QGZVFWFLSA-N 2 0 363.521 3.397 20 0 FGADRP COc1cccc(OC)c1OCCCC[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000584017475 507103557 /nfs/dbraw/zinc/10/35/57/507103557.db2.gz ULZFDEPINGJVQT-GOSISDBHSA-N 2 0 362.514 3.281 20 0 FGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H](c1ccc(OC)cc1)[NH+]1CCCCC1 ZINC000591095056 507111240 /nfs/dbraw/zinc/11/12/40/507111240.db2.gz UPIWBJZPLVPWJN-RTWAWAEBSA-N 2 0 373.541 3.213 20 0 FGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCc1ccccc1C[NH+]1CCC[C@H](C)C1 ZINC000591096974 507114000 /nfs/dbraw/zinc/11/40/00/507114000.db2.gz PCSJLSVEWVHIFT-GHTZIAJQSA-N 2 0 357.542 3.409 20 0 FGADRP CC(C)(CNC(=O)NCCCCC[NH+]1CCCCC1)[NH+]1CCCCC1 ZINC000600832551 507141708 /nfs/dbraw/zinc/14/17/08/507141708.db2.gz WEELHBATVYUNEX-UHFFFAOYSA-N 2 0 352.567 3.206 20 0 FGADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)NC[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000600859702 507150884 /nfs/dbraw/zinc/15/08/84/507150884.db2.gz MXYFRQOYDNIDMX-RTWAWAEBSA-N 2 0 372.557 3.072 20 0 FGADRP CC[NH+](CC)CCOc1ccc(NC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)cc1 ZINC000605339828 507153493 /nfs/dbraw/zinc/15/34/93/507153493.db2.gz QMJCUSWCLSNLCC-WOJBJXKFSA-N 2 0 374.529 3.156 20 0 FGADRP COc1ccc([C@@H](C)[C@H](C)[NH2+]Cc2ccncc2OCC[NH+](C)C)cc1 ZINC000584136827 507172215 /nfs/dbraw/zinc/17/22/15/507172215.db2.gz RJTOIDNDKJOQJF-IRXDYDNUSA-N 2 0 357.498 3.312 20 0 FGADRP CC[NH+]1CCC(NC(=O)c2ccccc2OCC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000591425822 507246375 /nfs/dbraw/zinc/24/63/75/507246375.db2.gz XLOFKMAERXSNTQ-SFHVURJKSA-N 2 0 373.541 3.154 20 0 FGADRP CCCN(CC[NH+]1CCCC1)C(=O)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000584308506 507271203 /nfs/dbraw/zinc/27/12/03/507271203.db2.gz KETKWOKAAOMRBV-UHFFFAOYSA-N 2 0 352.482 3.195 20 0 FGADRP CC(C)[C@H](CNC(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1)[NH+]1CCCC1 ZINC000591538300 507281911 /nfs/dbraw/zinc/28/19/11/507281911.db2.gz FFGNSVQTGXXYRR-LEWJYISDSA-N 2 0 372.557 3.243 20 0 FGADRP CC(C)C[N@@H+]1CC[C@@H](C[NH2+]C[C@H](O)Cc2ccc(C(F)(F)F)cc2)C1 ZINC000584346152 507293967 /nfs/dbraw/zinc/29/39/67/507293967.db2.gz UTDHIHFHKLDYMQ-FUHWJXTLSA-N 2 0 358.448 3.176 20 0 FGADRP C[C@@H]([NH2+][C@H]1CC12CC[NH2+]CC2)c1ccccc1I ZINC000591579394 507300573 /nfs/dbraw/zinc/30/05/73/507300573.db2.gz XJRYJAXLFPVDRQ-RISCZKNCSA-N 2 0 356.251 3.084 20 0 FGADRP C[C@@H]([NH2+][C@@H]1CC12CC[NH2+]CC2)c1ccc(F)c(I)c1 ZINC000591579952 507300908 /nfs/dbraw/zinc/30/09/08/507300908.db2.gz AXRDUHPZAWQCCI-QMTHXVAHSA-N 2 0 374.241 3.223 20 0 FGADRP CCC(CC)[C@H](CNC(=O)N1CCC[C@H]([NH2+]C(C)C)C1)[NH+]1CCCC1 ZINC000601229950 507304132 /nfs/dbraw/zinc/30/41/32/507304132.db2.gz GSHSVIVEEBRFGT-OALUTQOASA-N 2 0 352.567 3.059 20 0 FGADRP CC(C)[NH2+][C@H]1CCCN(C(=O)NCc2ccccc2C[N@H+](C)C(C)C)C1 ZINC000601236202 507305818 /nfs/dbraw/zinc/30/58/18/507305818.db2.gz JVYWWJHOWDEDEY-FQEVSTJZSA-N 2 0 360.546 3.199 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N1CCC[C@@H]([NH2+]C(C)C)C1)Cc1ccccc1 ZINC000601243698 507309037 /nfs/dbraw/zinc/30/90/37/507309037.db2.gz BVAGOJHBQVFTAV-RTWAWAEBSA-N 2 0 374.573 3.112 20 0 FGADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)N2CC[NH+](CC3CCCCC3)CC2)C1 ZINC000591618340 507314294 /nfs/dbraw/zinc/31/42/94/507314294.db2.gz QDVVXNREUMULFH-HXUWFJFHSA-N 2 0 364.578 3.014 20 0 FGADRP C[C@H](C[NH2+]Cc1ccc(N(C)c2ccccc2)cc1)N1CC[NH+](C)CC1 ZINC000591714652 507338100 /nfs/dbraw/zinc/33/81/00/507338100.db2.gz MXOPSFPYGTZLGL-LJQANCHMSA-N 2 0 352.526 3.180 20 0 FGADRP CC1CC[NH+](CCc2cccc(NC(=O)N[C@H]3C[NH2+]CC[C@H]3C)c2)CC1 ZINC000584457935 507356555 /nfs/dbraw/zinc/35/65/55/507356555.db2.gz XGFBNONXEWBPII-XLIONFOSSA-N 2 0 358.530 3.081 20 0 FGADRP Cc1ccc(-c2cc(C[NH+]3CCC([C@H]4C[C@@H]([NH3+])CCO4)CC3)on2)cc1 ZINC000584460446 507358233 /nfs/dbraw/zinc/35/82/33/507358233.db2.gz IAYZTGDWBRTHQV-GHTZIAJQSA-N 2 0 355.482 3.368 20 0 FGADRP COC(=O)c1coc([C@@H](C)[NH2+]CC2CC[NH+](Cc3ccncc3)CC2)c1 ZINC000595070495 507378507 /nfs/dbraw/zinc/37/85/07/507378507.db2.gz VICWXENMXWXJSJ-OAHLLOKOSA-N 2 0 357.454 3.024 20 0 FGADRP COCCc1nc(C)c([C@@H](C)[NH2+]CC2(SC)CC[NH+](C)CC2)s1 ZINC000584809104 507515896 /nfs/dbraw/zinc/51/58/96/507515896.db2.gz BCGVOBVUHZFOOU-CYBMUJFWSA-N 2 0 357.589 3.118 20 0 FGADRP CCO[C@@H]1C[C@@H]([NH2+][C@H](C)c2ccc(OCC[NH+](C)C)cc2)[C@@H]1SC ZINC000592394833 507637342 /nfs/dbraw/zinc/63/73/42/507637342.db2.gz LHQJXSWUZFOPEA-AXUOBQJMSA-N 2 0 352.544 3.187 20 0 FGADRP C[C@@H](C(=O)NC[C@@H]1CCC[NH+](Cc2ccccc2)C1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000586756131 507661217 /nfs/dbraw/zinc/66/12/17/507661217.db2.gz CADLQFNUWSLPFT-JTJHWIPRSA-N 2 0 357.542 3.276 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1)CC(C)C ZINC000592483674 507674853 /nfs/dbraw/zinc/67/48/53/507674853.db2.gz HFJAFNRBCFCYGV-MJGOQNOKSA-N 2 0 352.567 3.059 20 0 FGADRP C[NH+](C)Cc1cccc(C(=O)NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000607384859 507715836 /nfs/dbraw/zinc/71/58/36/507715836.db2.gz GMOBBEMLDGGANL-OAQYLSRUSA-N 2 0 365.521 3.390 20 0 FGADRP CCC[NH+]1CCC(C[NH2+][C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2C)CC1 ZINC000779053958 724385326 /nfs/dbraw/zinc/38/53/26/724385326.db2.gz GGHYNIUSRYAGEZ-FUHWJXTLSA-N 2 0 353.551 3.344 20 0 FGADRP CCC1([NH+]2CCCC2)CCN(C(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC000636730098 567985379 /nfs/dbraw/zinc/98/53/79/567985379.db2.gz DZWXJTJFSVZQJJ-LJQANCHMSA-N 2 0 364.578 3.157 20 0 FGADRP O[C@H](C[NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2)C1)COCc1ccccc1 ZINC000390782466 568226776 /nfs/dbraw/zinc/22/67/76/568226776.db2.gz SBALYJOTYQNXCZ-XZOQPEGZSA-N 2 0 368.521 3.066 20 0 FGADRP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824948692 609133472 /nfs/dbraw/zinc/13/34/72/609133472.db2.gz UYJGLIFVQCKIIZ-HUUCEWRRSA-N 2 0 360.481 3.169 20 0 FGADRP CCOC(=O)N1CCC([NH2+]CC2([NH+]3CCCCC3)CCCCC2)CC1 ZINC000079071170 700292898 /nfs/dbraw/zinc/29/28/98/700292898.db2.gz ZKPFTRDUSJXTGA-UHFFFAOYSA-N 2 0 351.535 3.386 20 0 FGADRP CC[NH+]1CCN(Cc2ccccc2C[NH2+][C@@H](C)c2cnc(C)s2)CC1 ZINC000090403149 700402789 /nfs/dbraw/zinc/40/27/89/700402789.db2.gz MOLWVQINCLAEHJ-INIZCTEOSA-N 2 0 358.555 3.440 20 0 FGADRP CCC[NH+]1CCC([NH2+][C@H](C)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000105783247 700504988 /nfs/dbraw/zinc/50/49/88/700504988.db2.gz PCJYXQHGFPASPF-SJORKVTESA-N 2 0 353.551 3.486 20 0 FGADRP CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000123403736 700704192 /nfs/dbraw/zinc/70/41/92/700704192.db2.gz BHGFYWPPJCFLOA-ZWKOTPCHSA-N 2 0 351.535 3.429 20 0 FGADRP O[C@@H](C[NH+]1CCC(C[NH+]2CCOCC2)CC1)c1ccc(Cl)cc1Cl ZINC000135053770 704837671 /nfs/dbraw/zinc/83/76/71/704837671.db2.gz MYQAAQSRLRCBNE-SFHVURJKSA-N 2 0 373.324 3.071 20 0 FGADRP CC[NH+](CC)C[C@H]1CC[N@H+](C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000174206652 705491218 /nfs/dbraw/zinc/49/12/18/705491218.db2.gz SLMIPTIGXPZYNJ-ZWKOTPCHSA-N 2 0 353.551 3.297 20 0 FGADRP C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000180166822 705730836 /nfs/dbraw/zinc/73/08/36/705730836.db2.gz CBBMNHDRHSRPEG-QAPCUYQASA-N 2 0 351.535 3.096 20 0 FGADRP Cc1cc(Br)cc(CN2CC[C@@H](C[NH+]3CCCC3)C2)c1O ZINC000180392414 705738306 /nfs/dbraw/zinc/73/83/06/705738306.db2.gz NZWLDOVYTOIMHC-AWEZNQCLSA-N 2 0 353.304 3.381 20 0 FGADRP C[NH+](C)[C@@H](CNC(=O)NC1CC[NH+](C(C)(C)C)CC1)C1CCCCC1 ZINC000193842174 713501553 /nfs/dbraw/zinc/50/15/53/713501553.db2.gz AZBCZIZNIDSLDD-SFHVURJKSA-N 2 0 352.567 3.059 20 0 FGADRP C[C@@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)c1cc(Br)cs1 ZINC000226392350 713572347 /nfs/dbraw/zinc/57/23/47/713572347.db2.gz HUZNMNSPSZTXCD-GFCCVEGCSA-N 2 0 360.365 3.187 20 0 FGADRP C[C@H](C(=O)N1CC[NH2+]C[C@@H]1c1cccc(Cl)c1)[C@@H]([NH3+])c1ccccc1 ZINC000261722583 713713060 /nfs/dbraw/zinc/71/30/60/713713060.db2.gz JLWKTLRSERZWSY-GDIGMMSISA-N 2 0 357.885 3.149 20 0 FGADRP CN(CCCC[NH+]1CCCCC1)C(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000641753282 717926830 /nfs/dbraw/zinc/92/68/30/717926830.db2.gz FFPOIJOTVLJEAZ-SFHVURJKSA-N 2 0 366.575 3.258 20 0 FGADRP C[C@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)c1cc(Br)ccc1F ZINC000317215195 713807449 /nfs/dbraw/zinc/80/74/49/713807449.db2.gz GVJZXNXSYIAMPZ-ZDUSSCGKSA-N 2 0 372.326 3.265 20 0 FGADRP C[C@@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)c1cc(Br)ccc1F ZINC000317215194 713807621 /nfs/dbraw/zinc/80/76/21/713807621.db2.gz GVJZXNXSYIAMPZ-CYBMUJFWSA-N 2 0 372.326 3.265 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1sc(C(C)C)nc1C ZINC000523094811 714218131 /nfs/dbraw/zinc/21/81/31/714218131.db2.gz HTJRFYWWOPUQEB-INIZCTEOSA-N 2 0 366.575 3.063 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)NC[C@@H](C)C[NH+]1CCCC1)c1ccsc1 ZINC000616074328 714567180 /nfs/dbraw/zinc/56/71/80/714567180.db2.gz RYUYRJMFNNDUGK-SJLPKXTDSA-N 2 0 366.575 3.162 20 0 FGADRP CCOc1ccccc1C[NH2+]C[C@H](c1cccs1)N1CCN(C)CC1 ZINC000620437356 714916167 /nfs/dbraw/zinc/91/61/67/714916167.db2.gz KUQSPYVUSCRJHB-GOSISDBHSA-N 2 0 359.539 3.225 20 0 FGADRP CCCc1ccc(C[NH2+]CC2CC[NH+](CC(=O)NC(C)(C)C)CC2)s1 ZINC000621339660 714982857 /nfs/dbraw/zinc/98/28/57/714982857.db2.gz HNPOODKDZUEVQH-UHFFFAOYSA-N 2 0 365.587 3.417 20 0 FGADRP Brc1ccc([C@H]([NH2+]CC[C@H]2CC[NH2+]C2)[C@@H]2CCCO2)cc1 ZINC000643509294 718037681 /nfs/dbraw/zinc/03/76/81/718037681.db2.gz VMELFLIAPZMOCA-COXVUDFISA-N 2 0 353.304 3.258 20 0 FGADRP C[N@@H+]1CC[C@@H]([NH2+]C[C@H](c2ccc(Cl)cc2)N2CCOCC2)CC1(C)C ZINC000623384105 715323003 /nfs/dbraw/zinc/32/30/03/715323003.db2.gz OUWHEOIWXURNBC-RTBURBONSA-N 2 0 365.949 3.176 20 0 FGADRP CSc1nnc(CCC[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)n1CC(C)C ZINC000623418619 715332690 /nfs/dbraw/zinc/33/26/90/715332690.db2.gz XYCAKGTVWASACG-HNNXBMFYSA-N 2 0 353.580 3.051 20 0 FGADRP CC[NH+]1CCN(CCC[NH2+][C@H](C)c2cc(Br)ccc2C)CC1 ZINC000623862291 715417310 /nfs/dbraw/zinc/41/73/10/715417310.db2.gz QNWTXQFPJPUNQO-MRXNPFEDSA-N 2 0 368.363 3.436 20 0 FGADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H]1CCCC[C@H]1Sc1ccc(F)cc1 ZINC000623889912 715425500 /nfs/dbraw/zinc/42/55/00/715425500.db2.gz ZLSLBNGWBDFARV-NSISKUIASA-N 2 0 365.562 3.455 20 0 FGADRP C[C@H]([NH2+]C[C@@H]1CCCN1CC(F)F)c1cccc(OCC[NH+](C)C)c1 ZINC000624094827 715470616 /nfs/dbraw/zinc/47/06/16/715470616.db2.gz OAIWCAGEDJTMEM-RDJZCZTQSA-N 2 0 355.473 3.007 20 0 FGADRP COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]C[C@H]1CCCC[N@H+](C)C1 ZINC000624119932 715476469 /nfs/dbraw/zinc/47/64/69/715476469.db2.gz MUSDEQNEROJJHX-LSDHHAIUSA-N 2 0 367.921 3.387 20 0 FGADRP CCOC(=O)C(F)(F)[C@@H]1CCC[C@H]([NH2+]C2CC[NH+](C3CCC3)CC2)C1 ZINC000779396793 724411524 /nfs/dbraw/zinc/41/15/24/724411524.db2.gz QKUPSWWUZHDUSN-ZBFHGGJFSA-N 2 0 358.473 3.350 20 0 FGADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1csc(C(F)(F)F)c1 ZINC000625540481 715748630 /nfs/dbraw/zinc/74/86/30/715748630.db2.gz JTJIZHWUVADHRU-UHFFFAOYSA-N 2 0 365.465 3.113 20 0 FGADRP C[C@H]([NH3+])C[C@H](C)NC(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000627108513 715997565 /nfs/dbraw/zinc/99/75/65/715997565.db2.gz VGJUGLJPKUQGPF-PGUXBMHVSA-N 2 0 361.317 3.021 20 0 FGADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2CCc1cccc(C(F)(F)F)c1 ZINC000628191007 716123429 /nfs/dbraw/zinc/12/34/29/716123429.db2.gz XFTQCDZQJKQZCK-KZNAEPCWSA-N 2 0 356.432 3.431 20 0 FGADRP FC(F)(F)c1cccc(CC[N@@H+]2CCC[C@@H](N3CCOCC3)CC2)c1 ZINC000628328699 716139332 /nfs/dbraw/zinc/13/93/32/716139332.db2.gz SUTJDCDVHIOICD-GOSISDBHSA-N 2 0 356.432 3.435 20 0 FGADRP CC1(C)C[C@@H]([NH2+]CC2([NH3+])CCOCC2)c2cc(Br)ccc21 ZINC000629522265 716302994 /nfs/dbraw/zinc/30/29/94/716302994.db2.gz YXDQGVXDDJLDRD-OAHLLOKOSA-N 2 0 353.304 3.269 20 0 FGADRP O[C@@H](C[NH2+][C@@H]1CCCN(c2ccc(Cl)cc2Cl)C1)C[NH+]1CCCC1 ZINC000629574058 716311044 /nfs/dbraw/zinc/31/10/44/716311044.db2.gz GEUJZDIOKIGTMD-CVEARBPZSA-N 2 0 372.340 3.009 20 0 FGADRP [NH3+]C1CCN(CCc2cn(-c3cc(Cl)c(Cl)cc3Cl)nn2)CC1 ZINC000630605446 716482253 /nfs/dbraw/zinc/48/22/53/716482253.db2.gz ZNDCRTKZGJKQTA-UHFFFAOYSA-N 2 0 374.703 3.193 20 0 FGADRP CC[C@@H](C)[C@H](C[N@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1)OC ZINC000638136910 717411627 /nfs/dbraw/zinc/41/16/27/717411627.db2.gz PBAIYZFBOKXXTQ-NQIIRXRSSA-N 2 0 353.595 3.176 20 0 FGADRP CC[NH+](CC)CCC[C@@H](C)[NH2+]Cc1cnn2cc(Br)cnc12 ZINC000638864336 717494764 /nfs/dbraw/zinc/49/47/64/717494764.db2.gz SOACSPBLPZDUFN-CYBMUJFWSA-N 2 0 368.323 3.092 20 0 FGADRP C[NH+]1CCN(CCC(C)(C)[NH2+]Cc2cc(Cl)cc(Cl)c2N)CC1 ZINC000639056529 717509549 /nfs/dbraw/zinc/50/95/49/717509549.db2.gz DMRPHHFDWJSFAW-UHFFFAOYSA-N 2 0 359.345 3.081 20 0 FGADRP c1ccc(C[N@H+]2CC[C@@H](N3CC[NH+](CC4CCSCC4)CC3)C2)cc1 ZINC000639163421 717526442 /nfs/dbraw/zinc/52/64/42/717526442.db2.gz XZDVYEWCPKVVHK-OAQYLSRUSA-N 2 0 359.583 3.022 20 0 FGADRP CC(C)(O)C[NH+]1CCC([NH2+]C/C=C/c2ccc(Br)cc2)CC1 ZINC000639228792 717534571 /nfs/dbraw/zinc/53/45/71/717534571.db2.gz VGZILMBIMAELRM-ONEGZZNKSA-N 2 0 367.331 3.287 20 0 FGADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH+]1CCC(Cc2nccs2)CC1 ZINC000639376192 717550192 /nfs/dbraw/zinc/55/01/92/717550192.db2.gz XKVNYZXZMYLVFJ-UHFFFAOYSA-N 2 0 353.495 3.487 20 0 FGADRP C[C@@H]1OCC[C@@H]1C[N@@H+]1CCC[C@@]2(CCC[NH+](C[C@@H]3CCO[C@H]3C)C2)C1 ZINC000639646319 717584975 /nfs/dbraw/zinc/58/49/75/717584975.db2.gz ORPQOAAEILWMCP-ALGQRKQJSA-N 2 0 350.547 3.014 20 0 FGADRP C[C@@H](C(=O)N1CCC[C@@H]1c1cccs1)[N@@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639758513 717599171 /nfs/dbraw/zinc/59/91/71/717599171.db2.gz VVYNMHFYEQEUMV-DLBZAZTESA-N 2 0 361.555 3.218 20 0 FGADRP CC(C)[N@@H+]1CCCC[C@H]1Cn1cc([C@@H](N)c2ccc(Cl)cc2F)nn1 ZINC000641167104 717869835 /nfs/dbraw/zinc/86/98/35/717869835.db2.gz BMMXZLPLTJHWJI-KSSFIOAISA-N 2 0 365.884 3.382 20 0 FGADRP O[C@@H](C[NH2+]C1CC[NH+](CC2CC2)CC1)COc1ccc(Cl)c(Cl)c1 ZINC000644525615 718119354 /nfs/dbraw/zinc/11/93/54/718119354.db2.gz KGDJWCRPBGHPNV-HNNXBMFYSA-N 2 0 373.324 3.197 20 0 FGADRP C[NH+](C)CCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)C[C@@H]1CC[NH2+]C1 ZINC000645746519 718238965 /nfs/dbraw/zinc/23/89/65/718238965.db2.gz SYFRATNBQDWWNV-AWEZNQCLSA-N 2 0 372.340 3.273 20 0 FGADRP CC[NH+](CC)CCN(Cc1cccs1)C(=O)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000646227994 718271366 /nfs/dbraw/zinc/27/13/66/718271366.db2.gz GKCLIHGDMCGREI-RBUKOAKNSA-N 2 0 363.571 3.054 20 0 FGADRP C[C@H](CNC(=O)Nc1ccc(SCC[NH+]2CCCCC2)cc1)[NH+](C)C ZINC000646533791 718293033 /nfs/dbraw/zinc/29/30/33/718293033.db2.gz YAPJUMVNDPEORY-MRXNPFEDSA-N 2 0 364.559 3.336 20 0 FGADRP C[N@@H+]1C[C@@H](C[NH2+]C2CCN(c3nccs3)CC2)[C@H](c2ccccc2)C1 ZINC000647249307 718343380 /nfs/dbraw/zinc/34/33/80/718343380.db2.gz QUNCNZVBMZOALL-MJGOQNOKSA-N 2 0 356.539 3.047 20 0 FGADRP Cc1nn2c(C[N@@H+]3CCC[C@H]([C@H]4CCC[NH2+]C4)C3)c(C(C)C)nc2s1 ZINC000647544026 718366583 /nfs/dbraw/zinc/36/65/83/718366583.db2.gz VPGSLNZGUCOHGR-HOTGVXAUSA-N 2 0 361.559 3.434 20 0 FGADRP C[C@H](C(=O)Nc1ccc(F)cc1F)[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647975896 718391054 /nfs/dbraw/zinc/39/10/54/718391054.db2.gz HJDHEIDFNULEOV-RBSFLKMASA-N 2 0 351.441 3.003 20 0 FGADRP C[C@H](C(=O)Nc1ccc(F)c(F)c1)[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647976714 718391483 /nfs/dbraw/zinc/39/14/83/718391483.db2.gz SKBQNDROFQATJE-QLFBSQMISA-N 2 0 351.441 3.003 20 0 FGADRP Clc1ccc(-n2cc(C[N@@H+]3CCC[C@H]([C@@H]4CCC[NH2+]C4)C3)nn2)cc1 ZINC000647978644 718391744 /nfs/dbraw/zinc/39/17/44/718391744.db2.gz WHAMQBLPHLKSSP-CVEARBPZSA-N 2 0 359.905 3.132 20 0 FGADRP [NH3+][C@@H](C(=O)NCc1ccccc1C[NH+]1CCCC1)c1cccc(Cl)c1 ZINC000649281812 718500692 /nfs/dbraw/zinc/50/06/92/718500692.db2.gz CZRATAVMBMAENL-LJQANCHMSA-N 2 0 357.885 3.252 20 0 FGADRP [NH3+][C@@H](C(=O)NCc1ccc(C[NH+]2CCCC2)cc1)c1cccc(Cl)c1 ZINC000649281440 718500779 /nfs/dbraw/zinc/50/07/79/718500779.db2.gz IUBRGVDUVCXHFW-LJQANCHMSA-N 2 0 357.885 3.252 20 0 FGADRP C[C@H](CC[NH+](C)C)NC(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000650416901 718674734 /nfs/dbraw/zinc/67/47/34/718674734.db2.gz FROATVWDOOIPNQ-MRXNPFEDSA-N 2 0 364.559 3.336 20 0 FGADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2Cc2cccc(OC(F)(F)F)c2)C1 ZINC000650723258 718720849 /nfs/dbraw/zinc/72/08/49/718720849.db2.gz KKPPDPYDFURYDN-PVAVHDDUSA-N 2 0 358.404 3.446 20 0 FGADRP CC[N@H+](CCCNC(=O)NCC1(C)CC[NH+](C)CC1)C1CCCCC1 ZINC000651219656 718783651 /nfs/dbraw/zinc/78/36/51/718783651.db2.gz DDCGXAIOELIPAA-UHFFFAOYSA-N 2 0 352.567 3.062 20 0 FGADRP C[C@H](C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)c1ccc(Cl)cc1 ZINC000651327570 718796794 /nfs/dbraw/zinc/79/67/94/718796794.db2.gz DDMQSAQXOBVGDD-INIZCTEOSA-N 2 0 353.938 3.176 20 0 FGADRP CC[C@H]([NH2+]CC1(C)CC[NH+](C)CC1)c1cc(OC)c(OC)c(OC)c1 ZINC000652186266 718921331 /nfs/dbraw/zinc/92/13/31/718921331.db2.gz GFIJCGLQDFCGKT-INIZCTEOSA-N 2 0 350.503 3.485 20 0 FGADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@H+](CCCOc3ccc(Cl)cc3)C2)C1 ZINC000652347016 718934718 /nfs/dbraw/zinc/93/47/18/718934718.db2.gz OEPSJTZWPOYKSQ-SZVBFZGTSA-N 2 0 352.906 3.327 20 0 FGADRP C[C@@H]1CCC[N@H+](CCC(=O)Nc2ccccc2Br)[C@H]1CC[NH3+] ZINC000652354442 718936260 /nfs/dbraw/zinc/93/62/60/718936260.db2.gz YRIMNLNEYHOFDN-CJNGLKHVSA-N 2 0 368.319 3.227 20 0 FGADRP O=C(Nc1ccc(SCC[NH+]2CCCC2)cc1)[C@H]1CCC[N@@H+]1C1CC1 ZINC000652870828 718986542 /nfs/dbraw/zinc/98/65/42/718986542.db2.gz MJHRJXYAANAMRT-LJQANCHMSA-N 2 0 359.539 3.440 20 0 FGADRP O=C([C@@H]1CCC[NH2+]CC1)N(CC[NH+]1CCCC1)Cc1ccc(Cl)cc1 ZINC000653149825 719017504 /nfs/dbraw/zinc/01/75/04/719017504.db2.gz HSMKZWMZGGGRAG-GOSISDBHSA-N 2 0 363.933 3.154 20 0 FGADRP CC(C)[C@H](CNC1CC[NH+](C[C@@H]2CCCO2)CC1)[NH+]1CCCCCC1 ZINC000655687456 719325643 /nfs/dbraw/zinc/32/56/43/719325643.db2.gz PKMZIKFXPYNOJN-SFTDATJTSA-N 2 0 351.579 3.120 20 0 FGADRP C[C@@H](C[NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000655803147 719342116 /nfs/dbraw/zinc/34/21/16/719342116.db2.gz WKGDIFIUIVZSAA-KYHREEPGSA-N 2 0 351.579 3.117 20 0 FGADRP Cc1ncsc1-c1ccc(C[NH2+]CC2(O)CC[NH+](C(C)C)CC2)cc1 ZINC000657397049 719640359 /nfs/dbraw/zinc/64/03/59/719640359.db2.gz LHNTXRPXCWJPKI-UHFFFAOYSA-N 2 0 359.539 3.443 20 0 FGADRP C[C@H](C[NH2+]Cc1c(Cl)cccc1N1CC[NH+](C)CC1)c1ccccn1 ZINC000657534963 719667412 /nfs/dbraw/zinc/66/74/12/719667412.db2.gz IIGSKCGIGLPXTF-MRXNPFEDSA-N 2 0 358.917 3.380 20 0 FGADRP Brc1ccc(C[NH2+]CC2CC[NH+](Cc3ccncc3)CC2)o1 ZINC000657611638 719682612 /nfs/dbraw/zinc/68/26/12/719682612.db2.gz ANJHWUDBOXLKSZ-UHFFFAOYSA-N 2 0 364.287 3.439 20 0 FGADRP CC(C)C[C@H]([NH2+][C@H](C)c1cc2ccncc2s1)C(=O)NCC[NH+](C)C ZINC000657956077 719735822 /nfs/dbraw/zinc/73/58/22/719735822.db2.gz RRTSBNGIXKFVER-ZBFHGGJFSA-N 2 0 362.543 3.039 20 0 FGADRP O=C(C[C@@H]1[NH2+]Cc2ccccc21)N1CC[NH2+]C[C@@H]1c1cccc(Cl)c1 ZINC000659312294 719894726 /nfs/dbraw/zinc/89/47/26/719894726.db2.gz WGNUYQOQVNUEFT-RBUKOAKNSA-N 2 0 355.869 3.048 20 0 FGADRP O=C(C[C@H]1[NH2+]Cc2ccccc21)N1CC[NH2+]C[C@H]1c1cccc(Cl)c1 ZINC000659312292 719895109 /nfs/dbraw/zinc/89/51/09/719895109.db2.gz WGNUYQOQVNUEFT-MOPGFXCFSA-N 2 0 355.869 3.048 20 0 FGADRP O=C1Nc2ccccc2S[C@H]1CC[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000659842950 719943464 /nfs/dbraw/zinc/94/34/64/719943464.db2.gz JBJYAAVXYPNBPN-IBGZPJMESA-N 2 0 359.539 3.297 20 0 FGADRP CC[NH+](CC)CCCC1CCN(C(=S)NCC(C)(C)C[NH+](C)C)CC1 ZINC000782209919 724638673 /nfs/dbraw/zinc/63/86/73/724638673.db2.gz MEBQBMZDCAMYTR-UHFFFAOYSA-N 2 0 370.651 3.283 20 0 FGADRP C[C@H](NC(=O)C[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1)c1ccc(Cl)cc1 ZINC000662294213 720411160 /nfs/dbraw/zinc/41/11/60/720411160.db2.gz CBBSOAQLHJLIQN-MAUKXSAKSA-N 2 0 363.933 3.229 20 0 FGADRP O=C(Nc1cccc(C[NH+]2CCSCC2)c1)c1cccc2c1C[NH2+]C2 ZINC000662425763 720427120 /nfs/dbraw/zinc/42/71/20/720427120.db2.gz MFAAQQPKXFWLGK-UHFFFAOYSA-N 2 0 353.491 3.091 20 0 FGADRP CC[NH+](CC)CCN(Cc1ccc(Cl)cc1)C(=O)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000662654181 720449960 /nfs/dbraw/zinc/44/99/60/720449960.db2.gz CAHCNDZLWVVRAQ-AZUAARDMSA-N 2 0 363.933 3.010 20 0 FGADRP CC1(C)CC[NH2+][C@H]1C(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000662722047 720454326 /nfs/dbraw/zinc/45/43/26/720454326.db2.gz IKESAWYCVLUEKK-SFHVURJKSA-N 2 0 363.933 3.056 20 0 FGADRP C[C@](O)(C[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2)C(F)(F)F ZINC000663368265 720506379 /nfs/dbraw/zinc/50/63/79/720506379.db2.gz CFJSLHOCCHPZSP-SJORKVTESA-N 2 0 356.432 3.192 20 0 FGADRP Cc1cc(C)[nH+]c(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)c1 ZINC001164841213 720509255 /nfs/dbraw/zinc/50/92/55/720509255.db2.gz XYCOINLIELVVEQ-XUVXKRRUSA-N 2 0 353.514 3.273 20 0 FGADRP CCOc1c(Br)cc(C[NH2+]CC[C@@H]([NH3+])C(C)C)cc1OC ZINC000663497708 720520021 /nfs/dbraw/zinc/52/00/21/720520021.db2.gz FHVZTGNQKBLRIY-CQSZACIVSA-N 2 0 359.308 3.319 20 0 FGADRP Cc1cc(C[NH2+][C@H]2CCN(C3CC[NH+](C)CC3)C2)ccc1C(F)(F)F ZINC000666272199 720910989 /nfs/dbraw/zinc/91/09/89/720910989.db2.gz WYBWISOVDFGSEJ-INIZCTEOSA-N 2 0 355.448 3.272 20 0 FGADRP CCCOc1c(Br)cc(C[NH2+][C@H]2CCC[NH2+]CC2)cc1OC ZINC000666855218 720991104 /nfs/dbraw/zinc/99/11/04/720991104.db2.gz GFJRBNBIDCCQPJ-AWEZNQCLSA-N 2 0 371.319 3.478 20 0 FGADRP C[C@@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000666954216 721005242 /nfs/dbraw/zinc/00/52/42/721005242.db2.gz SDEOCJKOZXMHIH-SWLSCSKDSA-N 2 0 355.404 3.154 20 0 FGADRP C[N@@H+]1CCC[C@H](CNC(=O)Nc2cccc(C[NH3+])c2)[C@@H]1c1cccs1 ZINC000667727796 721165043 /nfs/dbraw/zinc/16/50/43/721165043.db2.gz JVKJDMVICURSEZ-CRAIPNDOSA-N 2 0 358.511 3.411 20 0 FGADRP C[C@H]([NH2+][C@@H](C)c1ccsc1)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000669937690 721503235 /nfs/dbraw/zinc/50/32/35/721503235.db2.gz OZWNBNXBILAZPZ-BXWFABGCSA-N 2 0 357.523 3.178 20 0 FGADRP C[NH+](C)C[C@H](NC(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1)c1ccc(Cl)cc1 ZINC000670133760 721518872 /nfs/dbraw/zinc/51/88/72/721518872.db2.gz IURRZIGPFKMMQL-KSZLIROESA-N 2 0 366.937 3.115 20 0 FGADRP Cc1cc2[nH]ccc2c(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)[nH+]1 ZINC001164903476 721538876 /nfs/dbraw/zinc/53/88/76/721538876.db2.gz CZPCDXRIFPIEJE-AEFFLSMTSA-N 2 0 366.440 3.352 20 0 FGADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1ccc(C(F)(F)F)s1 ZINC000671722019 721611222 /nfs/dbraw/zinc/61/12/22/721611222.db2.gz JJEDPCQGQVPTJM-UHFFFAOYSA-N 2 0 365.465 3.113 20 0 FGADRP C[NH+]1CCC(N2CC[C@@H]([NH2+][C@H]3CCCOc4c(Cl)cccc43)C2)CC1 ZINC000675876204 721777138 /nfs/dbraw/zinc/77/71/38/721777138.db2.gz WGGKAMHTBRYIGX-BEFAXECRSA-N 2 0 363.933 3.312 20 0 FGADRP C[C@H](C[NH2+]Cc1c(Cl)cccc1N1CC[NH+](C)CC1)c1ccncc1 ZINC000678360345 721954825 /nfs/dbraw/zinc/95/48/25/721954825.db2.gz FBEMXRGXRGJAIW-MRXNPFEDSA-N 2 0 358.917 3.380 20 0 FGADRP C[C@H]([NH2+][C@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)c(F)c1)C1CC[NH+](C)CC1 ZINC000678607176 721967284 /nfs/dbraw/zinc/96/72/84/721967284.db2.gz NNZIEGRCUHVXNF-KHDYIWLOSA-N 2 0 367.896 3.071 20 0 FGADRP C[C@H](NC(=O)NC(C)(C)CC[NH+]1CCCCCC1)C1CC[NH+](C)CC1 ZINC000681521335 722209398 /nfs/dbraw/zinc/20/93/98/722209398.db2.gz IKNLGAUIIFGXOL-KRWDZBQOSA-N 2 0 352.567 3.061 20 0 FGADRP C[C@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000700799993 722409914 /nfs/dbraw/zinc/40/99/14/722409914.db2.gz NVPSAQQPLOPGMH-DLBZAZTESA-N 2 0 353.551 3.344 20 0 FGADRP C[C@H](CNC(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C)[NH+]1CCCCC1 ZINC000746758401 722617387 /nfs/dbraw/zinc/61/73/87/722617387.db2.gz VUOIKGXFOQTAOX-QAPCUYQASA-N 2 0 366.937 3.116 20 0 FGADRP C/C(=C/c1cccc(Cl)c1)C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000759090599 722999305 /nfs/dbraw/zinc/99/93/05/722999305.db2.gz QOQNYCVGLQBJOJ-ICFOKQHNSA-N 2 0 365.949 3.475 20 0 FGADRP C[NH+](C)Cc1cc(C[NH2+]CC(C)(C)NC(=O)OC(C)(C)C)ccc1F ZINC000759153018 723000547 /nfs/dbraw/zinc/00/05/47/723000547.db2.gz BBQFKZJDTIXBLZ-UHFFFAOYSA-N 2 0 353.482 3.280 20 0 FGADRP CC(C)[C@H](C[NH2+][C@H](C)c1cc(Cl)c(N)c(Cl)c1)N1CC[NH+](C)CC1 ZINC000760158577 723040606 /nfs/dbraw/zinc/04/06/06/723040606.db2.gz INVQJLOOULOBCW-DYVFJYSZSA-N 2 0 373.372 3.498 20 0 FGADRP CC(C)(C[NH2+][C@@H]1CCC[C@H]1CNC(=O)OC(C)(C)C)C[NH+]1CCCC1 ZINC000790748121 723173030 /nfs/dbraw/zinc/17/30/30/723173030.db2.gz JUSXWLWPLCNWIM-DLBZAZTESA-N 2 0 353.551 3.391 20 0 FGADRP CC(C)(C[NH2+]CC1CCN(C(=O)OC(C)(C)C)CC1)C[NH+]1CCCC1 ZINC000791010229 723204938 /nfs/dbraw/zinc/20/49/38/723204938.db2.gz GLSDLYXNBAQDBB-UHFFFAOYSA-N 2 0 353.551 3.345 20 0 FGADRP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]CCSC(F)(F)F)CC1 ZINC000770727326 723720156 /nfs/dbraw/zinc/72/01/56/723720156.db2.gz YLHRZCPDOPBAGE-UHFFFAOYSA-N 2 0 367.868 3.434 20 0 FGADRP CCC[NH+]1CCN(c2ccccc2C[NH2+]CCc2cnc(C)s2)CC1 ZINC000771975037 723747256 /nfs/dbraw/zinc/74/72/56/723747256.db2.gz CXZXYHZRIGNLEH-UHFFFAOYSA-N 2 0 358.555 3.316 20 0 FGADRP Cc1cc(Br)cc(C[NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)c1 ZINC000775015487 723952265 /nfs/dbraw/zinc/95/22/65/723952265.db2.gz GKUGGNDXVTVLRY-OAHLLOKOSA-N 2 0 355.320 3.348 20 0 FGADRP C[NH+](C)[C@@H]1CCC[N@H+](CC[C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000801949001 724349411 /nfs/dbraw/zinc/34/94/11/724349411.db2.gz AKGYXAIKAKBUMM-QZTJIDSGSA-N 2 0 353.551 3.440 20 0 FGADRP CC(C)(C)OC(=O)N[C@@H]1CCCCC[C@@H]1[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000788243143 725052453 /nfs/dbraw/zinc/05/24/53/725052453.db2.gz IYDVWTBEDWEQCU-RYQLBKOJSA-N 2 0 351.535 3.286 20 0 FGADRP C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1[NH2+]CCC1CC[NH+](C)CC1 ZINC000788596658 725074755 /nfs/dbraw/zinc/07/47/55/725074755.db2.gz ZPCHKVMJDWMGNW-SJLPKXTDSA-N 2 0 353.551 3.344 20 0 FGADRP C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)[C@@H]1[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000809717360 725262081 /nfs/dbraw/zinc/26/20/81/725262081.db2.gz GPIVIHPJELJDSK-DFBDCSAJSA-N 2 0 351.535 3.237 20 0 FGADRP CCC[NH+]1CCC([NH2+][C@@H]2[C@H](C)CCN(C(=O)OC(C)(C)C)[C@@H]2C)CC1 ZINC000809717141 725262150 /nfs/dbraw/zinc/26/21/50/725262150.db2.gz CKMXOCHATAMZGB-JFIYKMOQSA-N 2 0 353.551 3.484 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC000810146490 725292820 /nfs/dbraw/zinc/29/28/20/725292820.db2.gz RMWZFAAIGRZENH-QKLQHJQFSA-N 2 0 355.542 3.073 20 0 FGADRP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC000810146489 725292857 /nfs/dbraw/zinc/29/28/57/725292857.db2.gz RMWZFAAIGRZENH-MBOZVWFJSA-N 2 0 355.542 3.073 20 0 FGADRP CC(C)[NH+]1CCC([N@@H+]2C[C@@H](C)[C@](C)(CNC(=O)OC(C)(C)C)C2)CC1 ZINC000810246297 725299500 /nfs/dbraw/zinc/29/95/00/725299500.db2.gz MPCDZWCMZXWWGN-OXQOHEQNSA-N 2 0 353.551 3.342 20 0 FGADRP CSC1(C[NH2+][C@@H](C)C[C@@H](C)NC(=O)OC(C)(C)C)CC[NH+](C)CC1 ZINC000810253072 725300041 /nfs/dbraw/zinc/30/00/41/725300041.db2.gz ZCEBJJUBTUXSSZ-LSDHHAIUSA-N 2 0 359.580 3.095 20 0 FGADRP CCCC[N@H+](C)CC1CCN(C(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)CC1 ZINC000810417072 725306886 /nfs/dbraw/zinc/30/68/86/725306886.db2.gz DLHZBOROVYNDAL-HXUWFJFHSA-N 2 0 355.542 3.169 20 0 FGADRP CC[C@H](C)[NH2+][C@@H](CNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1)c1ccco1 ZINC000811525722 725372618 /nfs/dbraw/zinc/37/26/18/725372618.db2.gz XXCYLRUMLVROAB-YZVOILCLSA-N 2 0 353.482 3.038 20 0 FGADRP O=C(C[NH2+]C1CC(c2ccc(Cl)cc2)C1)NCC[NH+]1CCCCCC1 ZINC000816620836 727181432 /nfs/dbraw/zinc/18/14/32/727181432.db2.gz NQCWQQPKJPNRJI-UHFFFAOYSA-N 2 0 363.933 3.168 20 0 FGADRP CCOC(=O)C(F)(F)[C@H]1CCC[C@@H]([NH2+]Cc2ccc3c(c2)C[NH2+]C3)C1 ZINC000817968077 727289778 /nfs/dbraw/zinc/28/97/78/727289778.db2.gz GYBILQLSDSSXQJ-DLBZAZTESA-N 2 0 352.425 3.137 20 0 FGADRP CC[C@@H]([NH2+][C@H]1CC[NH2+]C2(CCC2)C1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000817984964 727290762 /nfs/dbraw/zinc/29/07/62/727290762.db2.gz CZGWREFSBOZEET-GVDBMIGSSA-N 2 0 351.535 3.429 20 0 FGADRP CCC[NH+]1CCC(C[NH2+]C[C@@H](O)c2ccc(OC(F)(F)F)cc2)CC1 ZINC000818989632 727335042 /nfs/dbraw/zinc/33/50/42/727335042.db2.gz AWAJVKPRODLOEC-QGZVFWFLSA-N 2 0 360.420 3.330 20 0 FGADRP C[NH+](C)CCOc1ccc(CC[NH2+]C[C@@H](O)c2cccc(Cl)c2)cc1 ZINC000819017372 727338448 /nfs/dbraw/zinc/33/84/48/727338448.db2.gz HYRHTKKHHLMWGK-HXUWFJFHSA-N 2 0 362.901 3.146 20 0 FGADRP O[C@@H](C[NH2+]CC1CC[NH+](C2CC2)CC1)c1ccc(OC(F)(F)F)cc1 ZINC000819267017 727362831 /nfs/dbraw/zinc/36/28/31/727362831.db2.gz ICXWQSQZDQOBTH-KRWDZBQOSA-N 2 0 358.404 3.083 20 0 FGADRP C[NH+](C)C1CCC([NH2+]C[C@@H](O)c2ccc(F)c(Br)c2)CC1 ZINC000819373178 727371871 /nfs/dbraw/zinc/37/18/71/727371871.db2.gz BIGNUYXKAMOEDR-SEEARECTSA-N 2 0 359.283 3.084 20 0 FGADRP CC(C)(C)OC(=O)N[C@H]1C[C@@H]([NH2+]C2CC[NH+](CC3CC3)CC2)C1(C)C ZINC000822489837 729180801 /nfs/dbraw/zinc/18/08/01/729180801.db2.gz KTJFGYKTSADFPM-SJORKVTESA-N 2 0 351.535 3.142 20 0 FGADRP C[C@@H]1C[C@H](C[NH2+][C@@H]2CCC[C@@H]([NH+](C)C)C2)CCN1C(=O)OC(C)(C)C ZINC000823961931 729314277 /nfs/dbraw/zinc/31/42/77/729314277.db2.gz ZNTUCJZKLQSCST-BRSBDYLESA-N 2 0 353.551 3.484 20 0 FGADRP C[C@@H]1C[C@H](C[N@@H+]2CCC[C@H]([NH+](C)C)CC2)CCN1C(=O)OC(C)(C)C ZINC000824292938 729328964 /nfs/dbraw/zinc/32/89/64/729328964.db2.gz WOLVWIVIEINHRA-KURKYZTESA-N 2 0 353.551 3.438 20 0 FGADRP CC(C)[C@@H](CNC(=O)OC(C)(C)C)C[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000824297461 729329265 /nfs/dbraw/zinc/32/92/65/729329265.db2.gz TVHMUJLCLDZABL-QGZVFWFLSA-N 2 0 353.551 3.247 20 0 FGADRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2cc(C)cc(Br)c2)CC1 ZINC000825279581 729376893 /nfs/dbraw/zinc/37/68/93/729376893.db2.gz SKVPFKWCYWAZTA-UHFFFAOYSA-N 2 0 368.363 3.263 20 0 FGADRP CC[NH+](CC)CCC[C@H](C)NC(=O)C[C@@H]([NH3+])c1cc(C)nc(Cl)c1 ZINC000831769630 729666521 /nfs/dbraw/zinc/66/65/21/729666521.db2.gz UEKQBQYYKANYMR-XJKSGUPXSA-N 2 0 354.926 3.060 20 0 FGADRP C[C@@H]([NH2+]CCCC[N@H+](C)C1CC1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000834908403 729845530 /nfs/dbraw/zinc/84/55/30/729845530.db2.gz JQRFQKHVWDIKMC-MRXNPFEDSA-N 2 0 353.551 3.486 20 0 FGADRP CC[C@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000840810344 730177608 /nfs/dbraw/zinc/17/76/08/730177608.db2.gz RWAWHJQBEIXLAU-OKZBNKHCSA-N 2 0 353.551 3.486 20 0 FGADRP Cc1cc(C[NH2+]CC2(N)CC[NH+](Cc3ccccc3)CC2)cnc1Cl ZINC000841103412 730211797 /nfs/dbraw/zinc/21/17/97/730211797.db2.gz HRQZZQBWPZXAPP-UHFFFAOYSA-N 2 0 358.917 3.127 20 0 FGADRP C[NH+](C)CCCCCCCNC(=O)N1CCCC[C@@H]1[C@H]1CCC[NH2+]C1 ZINC000841741324 730269563 /nfs/dbraw/zinc/26/95/63/730269563.db2.gz NMQRSBVDXWLNRR-RBUKOAKNSA-N 2 0 352.567 3.062 20 0 FGADRP C[N@H+](CCCCCCC[NH3+])CC(=O)Nc1ccccc1Br ZINC000842471614 730506697 /nfs/dbraw/zinc/50/66/97/730506697.db2.gz MNRPRSOHQFKIAC-UHFFFAOYSA-N 2 0 356.308 3.229 20 0 FGADRP [NH3+]CCCCCCC[N@@H+]1CCCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000842472068 730506715 /nfs/dbraw/zinc/50/67/15/730506715.db2.gz OYYUVPUTFDAMHV-UHFFFAOYSA-N 2 0 351.922 3.397 20 0 FGADRP CCc1cc2oc(=O)cc(C[N@H+]3CC[C@H]4C[NH2+]C[C@H]4CC3)c2cc1Cl ZINC000843386717 730612766 /nfs/dbraw/zinc/61/27/66/730612766.db2.gz LXPVLNQMDKMHKM-GASCZTMLSA-N 2 0 360.885 3.440 20 0 FGADRP [NH3+]CCCCCC(=O)N(CC[NH+]1CCCC1)Cc1ccc(Cl)cc1 ZINC000843489698 730624328 /nfs/dbraw/zinc/62/43/28/730624328.db2.gz SAWJLQFSHRQQDE-UHFFFAOYSA-N 2 0 351.922 3.284 20 0 FGADRP C[C@@H](C[C@H](C)[NH2+]CC1CC[NH+](CC2CC2)CC1)NC(=O)OC(C)(C)C ZINC000850580824 731375967 /nfs/dbraw/zinc/37/59/67/731375967.db2.gz BKOMPKNAHVBSSM-HOTGVXAUSA-N 2 0 353.551 3.390 20 0 FGADRP CC(C)CC[NH+]1CCC(C[NH2+]Cc2cn(C)nc2Br)CC1 ZINC000858149002 732185983 /nfs/dbraw/zinc/18/59/83/732185983.db2.gz UOFHXOOHDZFJLC-UHFFFAOYSA-N 2 0 357.340 3.030 20 0 FGADRP C[NH+](CC[Si](C)(C)CC[N@@H+](C)C[C@H]1CCCOC1)C[C@@H]1CCCOC1 ZINC000859133435 732281472 /nfs/dbraw/zinc/28/14/72/732281472.db2.gz HATPYQKVTZJHJY-BGYRXZFFSA-N 2 0 370.654 3.412 20 0 FGADRP C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)[C@@H]1[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000862366686 732817382 /nfs/dbraw/zinc/81/73/82/732817382.db2.gz VQZZVRXUZYQYKR-WCXIOVBPSA-N 2 0 353.551 3.483 20 0 FGADRP CCOC(=O)C1([C@H](C)[NH2+][C@@H]2CCc3ccc(Cl)cc32)CC[NH2+]CC1 ZINC000863549089 732976190 /nfs/dbraw/zinc/97/61/90/732976190.db2.gz ZAEXQSWRQJYTSC-SUMWQHHRSA-N 2 0 350.890 3.238 20 0 FGADRP COc1cc(C[NH2+]CCC2CC[NH+](C(C)C)CC2)cc(OC)c1OC ZINC000865715039 733258022 /nfs/dbraw/zinc/25/80/22/733258022.db2.gz HPNOCUSYKQXVEV-UHFFFAOYSA-N 2 0 350.503 3.313 20 0 FGADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]C[C@@H]2CC3(CO2)CCOCC3)CC1 ZINC000866534625 733362687 /nfs/dbraw/zinc/36/26/87/733362687.db2.gz WUCVKEOMXKWXFT-HOJAQTOUSA-N 2 0 350.547 3.205 20 0 FGADRP CCCC[NH+]1CCC(NC(=O)NCCC2CC[NH+](C(C)C)CC2)CC1 ZINC000868945078 733666431 /nfs/dbraw/zinc/66/64/31/733666431.db2.gz WJRHRWCLPKWGOK-UHFFFAOYSA-N 2 0 352.567 3.061 20 0 FGADRP C[NH+](C)C[C@@H]1CN(C(=O)CCCCCc2cccs2)C[C@H]1C[NH+](C)C ZINC000870022341 733802460 /nfs/dbraw/zinc/80/24/60/733802460.db2.gz STFKDXLANUPVML-QZTJIDSGSA-N 2 0 365.587 3.049 20 0 FGADRP CC(C)(C)S(=O)(=O)CCC[N@@H+]1CCC[C@@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000872156056 735597065 /nfs/dbraw/zinc/59/70/65/735597065.db2.gz DGIIWAFZVYYKQP-FUHWJXTLSA-N 2 0 358.592 3.209 20 0 FGADRP C[NH+](C)C1(C)CCC([NH2+]C[C@H](O)c2ccccc2Br)CC1 ZINC000872229206 735605513 /nfs/dbraw/zinc/60/55/13/735605513.db2.gz OYMOEFRYXAQJSV-PWZRNIHTSA-N 2 0 355.320 3.335 20 0 FGADRP CC(C)CN(CC1CC[NH+](C)CC1)Cn1nc(C(F)F)n(C)c1=S ZINC000872743407 735670226 /nfs/dbraw/zinc/67/02/26/735670226.db2.gz BQZMSTFUTHPIGF-UHFFFAOYSA-N 2 0 361.506 3.146 20 0 FGADRP Cc1sc(C[NH2+]CC2(O)CC[NH+](C(C)C)CC2)cc1Br ZINC000873078053 735717798 /nfs/dbraw/zinc/71/77/98/735717798.db2.gz IWKSGNITQAIQFW-UHFFFAOYSA-N 2 0 361.349 3.144 20 0 FGADRP CCN(C[C@H]1CC[N@H+](Cc2cc3c(s2)CC[NH2+]C3)C1)CC(F)(F)F ZINC000873208622 735737949 /nfs/dbraw/zinc/73/79/49/735737949.db2.gz YNHYKCGILNTOAZ-CYBMUJFWSA-N 2 0 361.477 3.100 20 0 FGADRP C[C@H]([NH2+][C@@H]1CC[NH2+]CC(C)(C)C1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000873246380 735743174 /nfs/dbraw/zinc/74/31/74/735743174.db2.gz VJHQJPQKQIOTIV-GXTWGEPZSA-N 2 0 360.470 3.112 20 0 FGADRP [NH3+]Cc1cn(-c2cccc(C[NH2+][C@H]3CCc4ccc(Cl)cc43)c2)nn1 ZINC000873243019 735743297 /nfs/dbraw/zinc/74/32/97/735743297.db2.gz IGPUQLZSDNWGND-IBGZPJMESA-N 2 0 353.857 3.157 20 0 FGADRP CC(C)[C@H](C[NH2+]Cc1cc2nc(Cl)ccc2s1)N1CC[NH+](C)CC1 ZINC000876923363 736163092 /nfs/dbraw/zinc/16/30/92/736163092.db2.gz FDMHSBTXFXUMBJ-INIZCTEOSA-N 2 0 366.962 3.311 20 0 FGADRP COC(=O)c1ccc(C[NH2+]C2CCC([NH+](C)C)CC2)cc1Br ZINC000877596039 736689981 /nfs/dbraw/zinc/68/99/81/736689981.db2.gz MJQOGXYBHPQWLN-UHFFFAOYSA-N 2 0 369.303 3.198 20 0 FGADRP CC(C)[C@@H]([NH2+]C1CC[NH+](CC(C)(C)O)CC1)[C@@H](O)c1ccc(Cl)cc1 ZINC000877639903 736697904 /nfs/dbraw/zinc/69/79/04/736697904.db2.gz RPHNASMNJRZHCE-MOPGFXCFSA-N 2 0 368.949 3.223 20 0 FGADRP C[C@@H](C[NH2+]C1CCC(C)([NH+](C)C)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000877711343 736709199 /nfs/dbraw/zinc/70/91/99/736709199.db2.gz FALHHYUYXZGPLT-DMKPSLHHSA-N 2 0 352.544 3.046 20 0 FGADRP Cc1cc(Cl)c(NC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)cc1C ZINC000879727527 737038130 /nfs/dbraw/zinc/03/81/30/737038130.db2.gz DSCKISZUEXRHHA-HZPDHXFCSA-N 2 0 366.937 3.160 20 0 FGADRP C[C@@H](C(=O)Nc1cccnc1Cl)[N@H+](C)CCCC[NH+]1CCCCC1 ZINC000880517611 737183612 /nfs/dbraw/zinc/18/36/12/737183612.db2.gz USYISAADQQKVFH-HNNXBMFYSA-N 2 0 352.910 3.260 20 0 FGADRP CC1([NH+]2CCCC2)CCC([NH2+]C[C@H]2CCC3(CCOCC3)CO2)CC1 ZINC000886650326 739278683 /nfs/dbraw/zinc/27/86/83/739278683.db2.gz ULKMZZSHPZJSNM-IOJLRTSASA-N 2 0 350.547 3.349 20 0 FGADRP OC[C@]1(C(F)(F)F)CC[N@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000886813886 739305506 /nfs/dbraw/zinc/30/55/06/739305506.db2.gz WZJYUXLZQSIKKU-SFHVURJKSA-N 2 0 356.432 3.419 20 0 FGADRP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]CCC[N@H+](C)C(C)C)C[C@@H]1C(F)(F)F ZINC000892516871 740011198 /nfs/dbraw/zinc/01/11/98/740011198.db2.gz QBKPOVNMTUJXFN-KFWWJZLASA-N 2 0 352.441 3.217 20 0 FGADRP F[C@H]1CC2(CC[C@@H]1[NH2+]CC1CC[NH+](Cc3cccs3)CC1)OCCO2 ZINC000892752380 740040652 /nfs/dbraw/zinc/04/06/52/740040652.db2.gz IHQAIDNEBQVLAV-ROUUACIJSA-N 2 0 368.518 3.183 20 0 FGADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+]CC2CC[NH+](CC)CC2)C[C@H]1C(F)(F)F ZINC000892939674 740060382 /nfs/dbraw/zinc/06/03/82/740060382.db2.gz UPWHJCBNSVNGNU-ARFHVFGLSA-N 2 0 364.452 3.218 20 0 FGADRP CC[N@@H+]1CC[C@H](C[NH2+]CC2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)C1 ZINC000894190113 742250610 /nfs/dbraw/zinc/25/06/10/742250610.db2.gz JEIZSWOEGDWNMS-CSNJMZFVSA-N 2 0 351.535 3.096 20 0 FGADRP O=C(NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)[C@H]1CC[C@@H]2CCCC[NH+]12 ZINC000900439904 743113689 /nfs/dbraw/zinc/11/36/89/743113689.db2.gz PSLUBETUXJUWTH-JENIJYKNSA-N 2 0 361.555 3.093 20 0 FGADRP CS(=O)(=O)C1(C[NH2+][C@H](CCCC[NH3+])c2ccc(F)cc2F)CCCC1 ZINC000902382828 743739518 /nfs/dbraw/zinc/73/95/18/743739518.db2.gz BXSFRJMPBLZBMD-QGZVFWFLSA-N 2 0 374.497 3.082 20 0 FGADRP CSc1ccc(Br)cc1CC[NH2+][C@@H]1CCOC[C@H]1[C@@H](C)[NH3+] ZINC000902428955 743742649 /nfs/dbraw/zinc/74/26/49/743742649.db2.gz IPSOWEPRPUIENN-BYCMXARLSA-N 2 0 373.360 3.055 20 0 FGADRP C[C@@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)c1ccc(C(F)(F)F)cn1 ZINC000902794458 743776306 /nfs/dbraw/zinc/77/63/06/743776306.db2.gz WAKYMRCHNRNZII-CQSZACIVSA-N 2 0 358.452 3.025 20 0 FGADRP C[C@H]([NH2+]CCOC1CCSCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000903443332 743852115 /nfs/dbraw/zinc/85/21/15/743852115.db2.gz GHMJSFUGLOCLDE-INIZCTEOSA-N 2 0 352.544 3.190 20 0 FGADRP CC(C)CCc1nc(CN2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)cs1 ZINC000903508664 743857337 /nfs/dbraw/zinc/85/73/37/743857337.db2.gz PRJFAQIVOPDLJQ-KDURUIRLSA-N 2 0 362.587 3.132 20 0 FGADRP c1ccc2sc([C@@H]3CCC[N@@H+](C[C@H]4C[C@]5(CC[NH2+]C5)CO4)C3)nc2c1 ZINC000903732991 743880134 /nfs/dbraw/zinc/88/01/34/743880134.db2.gz ITOOILFZGOODFU-QINHECLXSA-N 2 0 357.523 3.244 20 0 FGADRP Cc1cccc(C[N@@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)c1Br ZINC000903765135 743881477 /nfs/dbraw/zinc/88/14/77/743881477.db2.gz YPVWKDFUVIROFO-XIRDDKMYSA-N 2 0 367.331 3.476 20 0 FGADRP CN(C(=O)Nc1ccccc1C[NH3+])C1CC[NH+](CCC(F)(F)F)CC1 ZINC000904627066 743965261 /nfs/dbraw/zinc/96/52/61/743965261.db2.gz FZDMIWWHXRPSSD-UHFFFAOYSA-N 2 0 358.408 3.026 20 0 FGADRP O[C@H](C[NH2+][C@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1)CC(F)(F)F ZINC000905709559 744045689 /nfs/dbraw/zinc/04/56/89/744045689.db2.gz NRUPJOQBXSDELW-OWSLCNJRSA-N 2 0 356.432 3.190 20 0 FGADRP CC(C)(C)OC(=O)NC[C@@H]1CC[C@H]([NH2+]CC2CC[NH+](C3CC3)CC2)C1 ZINC000922067388 758844475 /nfs/dbraw/zinc/84/44/75/758844475.db2.gz CNPCUYYGCZXEBG-SJORKVTESA-N 2 0 351.535 3.144 20 0 FGADRP CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]C/C=C/c1ccc(F)c(F)c1)C2 ZINC000922387725 758909482 /nfs/dbraw/zinc/90/94/82/758909482.db2.gz AKEFHBFQDJDJNI-PNCFCEPOSA-N 2 0 350.453 3.047 20 0 FGADRP CC(C)[C@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1cc3cc(Cl)cnc3o1)C2 ZINC000922391544 758911523 /nfs/dbraw/zinc/91/15/23/758911523.db2.gz WMVHFCCXJYGNJQ-YWTNHNAXSA-N 2 0 363.889 3.051 20 0 FGADRP CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]Cc3cc(C)cnc3Cl)C2)[C@@H]1C(C)C ZINC000922395583 758913847 /nfs/dbraw/zinc/91/38/47/758913847.db2.gz UASPZCAGIAUSMY-VXIBKDFQSA-N 2 0 351.922 3.003 20 0 FGADRP FC(F)(F)CCN1CCC([NH2+]CC[C@H]2CC[C@H](C(F)(F)F)O2)CC1 ZINC000922675703 758975329 /nfs/dbraw/zinc/97/53/29/758975329.db2.gz FCRPFANTUVHXPT-CHWSQXEVSA-N 2 0 362.358 3.493 20 0 FGADRP FC(F)(F)c1ccn([C@@H]2CCC[N@H+](CCC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)n1 ZINC000923373552 759107089 /nfs/dbraw/zinc/10/70/89/759107089.db2.gz ORDZDXAIUFQMKC-WTXIUTQJSA-N 2 0 356.436 3.460 20 0 FGADRP C[C@@H](c1cccc(Br)c1)[NH+]1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923452385 759120348 /nfs/dbraw/zinc/12/03/48/759120348.db2.gz QLGXTXYTFMDBRL-BBRMVZONSA-N 2 0 353.304 3.340 20 0 FGADRP [NH3+]C[C@H]1CC2(CO1)CC[NH+](Cc1cc(Cl)ccc1OC(F)F)CC2 ZINC000923449972 759120771 /nfs/dbraw/zinc/12/07/71/759120771.db2.gz RNJJHIOPIASUFK-CQSZACIVSA-N 2 0 360.832 3.271 20 0 FGADRP C[C@@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000923488336 759129626 /nfs/dbraw/zinc/12/96/26/759129626.db2.gz RZYWAAGPKFLYHP-NWDGAFQWSA-N 2 0 354.376 3.487 20 0 FGADRP [NH3+]CC[C@@H]1CC[N@H+](CC(=O)N2CCC[C@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000923488558 759130708 /nfs/dbraw/zinc/13/07/08/759130708.db2.gz CEXJQFOSJHDXQY-DYVFJYSZSA-N 2 0 370.324 3.328 20 0 FGADRP COc1ccc(-c2nc(C[N@@H+]3CC[C@H](C[NH3+])[C@@H](C)C3)cs2)c(OC)c1 ZINC000923501989 759133581 /nfs/dbraw/zinc/13/35/81/759133581.db2.gz VDDTWMRACXXBFG-UONOGXRCSA-N 2 0 361.511 3.244 20 0 FGADRP C[C@@H]1C[C@@H]([NH2+]CC2CC[NH+](Cc3ccccc3Cl)CC2)c2ncnn21 ZINC000924988512 759428845 /nfs/dbraw/zinc/42/88/45/759428845.db2.gz BCSXYECYPIUIIT-RDTXWAMCSA-N 2 0 359.905 3.439 20 0 FGADRP CC1(C)[C@@H](NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925662481 759519875 /nfs/dbraw/zinc/51/98/75/759519875.db2.gz IWPRTNXGXMMZLN-JWRYVHENSA-N 2 0 359.480 3.158 20 0 FGADRP C[C@@H](C[NH2+][C@@H](CCC[NH3+])c1ccccc1)c1ccc(S(C)(=O)=O)cc1 ZINC000925731411 759526989 /nfs/dbraw/zinc/52/69/89/759526989.db2.gz CDDJMICBLLSCTJ-JXFKEZNVSA-N 2 0 360.523 3.263 20 0 FGADRP C(C[C@@H]1CCC2(CCOCC2)CO1)[NH2+][C@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000925773663 759534125 /nfs/dbraw/zinc/53/41/25/759534125.db2.gz ODGMQVZNTKTWAM-HAGHYFMRSA-N 2 0 350.547 3.253 20 0 FGADRP Brc1cnn(C2(C[NH2+][C@@H]3CCC[C@H]3[C@@H]3CCCC[NH2+]3)CC2)c1 ZINC000925838409 759554945 /nfs/dbraw/zinc/55/49/45/759554945.db2.gz MAAHIDLPTHIWBT-HRCADAONSA-N 2 0 367.335 3.035 20 0 FGADRP COc1cc([C@@H](C)[NH2+]CCCCCN2CC[NH2+]CC2)ccc1SC ZINC000925844422 759556297 /nfs/dbraw/zinc/55/62/97/759556297.db2.gz KNXVSMPSXLYUDO-MRXNPFEDSA-N 2 0 351.560 3.143 20 0 FGADRP C[NH2+]CCN(C(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1)C(C)C ZINC000926171361 759667110 /nfs/dbraw/zinc/66/71/10/759667110.db2.gz PDJJLSJTVWVCIT-UHFFFAOYSA-N 2 0 364.559 3.336 20 0 FGADRP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]C[C@H]2CCC3(CCOCC3)O2)CC1 ZINC000927014158 759876949 /nfs/dbraw/zinc/87/69/49/759876949.db2.gz NQQJTAPPVBPEJN-MISYRCLQSA-N 2 0 350.547 3.347 20 0 FGADRP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)C2)[C@H]2CCC[C@H]21 ZINC000927124890 759899256 /nfs/dbraw/zinc/89/92/56/759899256.db2.gz RFGYISHGIVZNQC-MDMSPXHWSA-N 2 0 351.535 3.142 20 0 FGADRP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]2C[NH+](C)Cc2ccc(Cl)cc2)CC[N@@H+]1C ZINC000960639412 762736774 /nfs/dbraw/zinc/73/67/74/762736774.db2.gz BOLTVOKBAHLMRC-ATZDWAIDSA-N 2 0 363.933 3.103 20 0 FGADRP Cc1cc(C[NH2+][C@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2(C)C)c(C)s1 ZINC000995835361 764971353 /nfs/dbraw/zinc/97/13/53/764971353.db2.gz WTUNRUJUBWBZLF-OLMNPRSZSA-N 2 0 363.571 3.032 20 0 FGADRP C[C@@H]([NH2+]C1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1)c1ccc(Cl)cc1 ZINC000996601210 765019667 /nfs/dbraw/zinc/01/96/67/765019667.db2.gz AGQBKRUTMXKXKN-SPYBWZPUSA-N 2 0 363.933 3.322 20 0 FGADRP Cc1cc(C[NH+]2CCC([C@@H](C)NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)cs1 ZINC000997098604 765045169 /nfs/dbraw/zinc/04/51/69/765045169.db2.gz SVTXAKOEBDEHFF-GPMSIDNRSA-N 2 0 363.571 3.113 20 0 FGADRP CC[C@@H]1[C@@H](C(=O)N(C)C2CC([NH2+]Cc3cc(C)sc3C)C2)CC[N@@H+]1C ZINC000998795072 765125611 /nfs/dbraw/zinc/12/56/11/765125611.db2.gz WMVVSVWLNXXZKU-WZOJCFFYSA-N 2 0 363.571 3.174 20 0 FGADRP C[C@@H](c1cccc(Cl)c1)[NH+]1CCC(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001002852365 765348064 /nfs/dbraw/zinc/34/80/64/765348064.db2.gz OJEMDZBNJVUZEZ-QMTMVMCOSA-N 2 0 363.933 3.322 20 0 FGADRP C[C@@H]1[C@H](C(=O)N2CCC[C@@H](C[NH2+]Cc3ccccc3Cl)C2)CC[N@@H+]1C ZINC001023993771 766047362 /nfs/dbraw/zinc/04/73/62/766047362.db2.gz PHGPYYZSIXTNFE-SOLBZPMBSA-N 2 0 363.933 3.008 20 0 FGADRP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CC[NH+](Cc3sccc3Cl)C2)CC[N@@H+]1C ZINC001028551407 766124660 /nfs/dbraw/zinc/12/46/60/766124660.db2.gz OLSYTGZOQZKNCL-IJEWVQPXSA-N 2 0 369.962 3.070 20 0 FGADRP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CC[NH+](Cc3cc(C)sc3C)C2)CC[N@@H+]1C ZINC001033098068 766207189 /nfs/dbraw/zinc/20/71/89/766207189.db2.gz BJGMUYNDLOUTRQ-CEXWTWQISA-N 2 0 363.571 3.128 20 0 FGADRP C[C@@H]1[C@H](C(=O)N[C@@H]2CCCC[NH+](Cc3ccccc3Cl)C2)CC[N@@H+]1C ZINC001034215213 766232894 /nfs/dbraw/zinc/23/28/94/766232894.db2.gz XIFLDHQHNKTGOD-KBAYOESNSA-N 2 0 363.933 3.151 20 0 FGADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000063784457 205294545 /nfs/dbraw/zinc/29/45/45/205294545.db2.gz JCGPISICZSPEQD-HXUWFJFHSA-N 2 0 372.557 3.071 20 0 FGADRP C[C@H]([NH2+][C@@H](CC(N)=O)c1ccccc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000293555318 257380275 /nfs/dbraw/zinc/38/02/75/257380275.db2.gz FLQSRXSSCODFFR-YYWHXJBOSA-N 2 0 351.494 3.103 20 0 FGADRP CC(C)(C)OC(=O)NC1CCC([NH2+]C2CC[NH+](C3CCC3)CC2)CC1 ZINC000779035641 724383391 /nfs/dbraw/zinc/38/33/91/724383391.db2.gz IXDURICVBGTGPW-UHFFFAOYSA-N 2 0 351.535 3.429 20 0 FGADRP C[C@@H](C(=O)NCCCC[NH+]1CCC(Cc2ccccc2)CC1)[NH+]1CC(C)C1 ZINC000576714679 505577680 /nfs/dbraw/zinc/57/76/80/505577680.db2.gz GAGHXKVIVLZTIR-FQEVSTJZSA-N 2 0 371.569 3.178 20 0 FGADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccc(-n4ccc(C(F)(F)F)n4)cc3)C[C@@H]21 ZINC000573608392 505577821 /nfs/dbraw/zinc/57/78/21/505577821.db2.gz OUDVVAHTTGPXKA-HYVNUMGLSA-N 2 0 364.415 3.450 20 0 FGADRP C[C@@H]1C[C@H]([NH3+])CCN1CC(=O)N(CCc1ccccc1)Cc1ccccc1 ZINC000579609218 505586384 /nfs/dbraw/zinc/58/63/84/505586384.db2.gz QOXVBSKMHQSKQH-DENIHFKCSA-N 2 0 365.521 3.070 20 0 FGADRP O=C(CC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)Nc1ccccn1 ZINC000573788474 505620923 /nfs/dbraw/zinc/62/09/23/505620923.db2.gz XAWJLMKKLGAGHI-OWZKRDHZSA-N 2 0 364.493 3.195 20 0 FGADRP C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C[C@@H](c1ncc[nH]1)c1ccccc1 ZINC000579828955 505628462 /nfs/dbraw/zinc/62/84/62/505628462.db2.gz CJBORDMMNGXAJG-MSOLQXFVSA-N 2 0 354.498 3.168 20 0 FGADRP c1cnn(Cc2ccc(C[NH2+][C@H]3C[C@@]4(CC[NH2+]C4)Oc4ccccc43)cc2)c1 ZINC000576934924 505628506 /nfs/dbraw/zinc/62/85/06/505628506.db2.gz QLBIJSKNVIINOO-JTHBVZDNSA-N 2 0 374.488 3.277 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(C)c(C(C)=O)c1 ZINC000571057525 505643586 /nfs/dbraw/zinc/64/35/86/505643586.db2.gz WSFIMMHIEUKWNJ-LJQANCHMSA-N 2 0 374.529 3.077 20 0 FGADRP Clc1ccc(-c2n[nH]cc2C[N@@H+]2CCC[C@@H](N3CCOCC3)CC2)cc1 ZINC000568253090 505652634 /nfs/dbraw/zinc/65/26/34/505652634.db2.gz DQGILEQOYOHQJJ-LJQANCHMSA-N 2 0 374.916 3.417 20 0 FGADRP OCCCSCC[NH2+][C@@H]1CCCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000573987896 505667047 /nfs/dbraw/zinc/66/70/47/505667047.db2.gz JKAJDYUSQSXZFG-QHAWAJNXSA-N 2 0 362.583 3.382 20 0 FGADRP CC(C)[NH+]1CCC([NH2+]C[C@H](O)CO[C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000571198320 505677667 /nfs/dbraw/zinc/67/76/67/505677667.db2.gz JLMITHAPMRTBJZ-KXBFYZLASA-N 2 0 354.922 3.241 20 0 FGADRP Cc1cc(F)c(CN2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)c(Cl)c1 ZINC000574045182 505680668 /nfs/dbraw/zinc/68/06/68/505680668.db2.gz VVTWMNBWZYBRMY-MRXNPFEDSA-N 2 0 353.913 3.388 20 0 FGADRP Cc1ccc([C@H]2CCC[N@@H+]2CC(=O)NC2CC[NH+](C3CC3)CC2)cc1C ZINC000068301276 493793496 /nfs/dbraw/zinc/79/34/96/493793496.db2.gz ITCIWVOPNBIZHV-OAQYLSRUSA-N 2 0 355.526 3.183 20 0 FGADRP CC[NH+](CC)C[C@@H]1CC[N@H+](CCC(=O)N[C@@H]2CCCc3ccccc32)C1 ZINC000076003972 493808014 /nfs/dbraw/zinc/80/80/14/493808014.db2.gz COAKPZYJQALCCQ-GHTZIAJQSA-N 2 0 357.542 3.234 20 0 FGADRP C[C@@H](CC[NH+](C)C)NC(=O)NCc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000068594847 493846335 /nfs/dbraw/zinc/84/63/35/493846335.db2.gz IXBWIBJVPNOFII-ROUUACIJSA-N 2 0 360.546 3.058 20 0 FGADRP CC[NH+](CC)C[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000081333739 493873579 /nfs/dbraw/zinc/87/35/79/493873579.db2.gz LTCLVLOXUPNNRT-SFTDATJTSA-N 2 0 357.542 3.089 20 0 FGADRP CC[NH+](CC)CCN(Cc1ccccc1)C(=O)NC1CC[NH+](C(C)C)CC1 ZINC000069204080 493936221 /nfs/dbraw/zinc/93/62/21/493936221.db2.gz FLAWHWJCCWBMIT-UHFFFAOYSA-N 2 0 374.573 3.413 20 0 FGADRP CC(C)[N@@H+]1CC[C@H](CNC(=O)NCC(C)(C)[NH2+][C@@H](C)c2ccccc2)C1 ZINC000069298948 493952191 /nfs/dbraw/zinc/95/21/91/493952191.db2.gz GEIRWNHWLVLMRB-ZWKOTPCHSA-N 2 0 360.546 3.145 20 0 FGADRP CCCC[N@H+](C)CC1CC[NH+](CC(=O)N2CCc3sccc3C2)CC1 ZINC000052208570 494011927 /nfs/dbraw/zinc/01/19/27/494011927.db2.gz WQUCZNTXFIBNHN-UHFFFAOYSA-N 2 0 363.571 3.077 20 0 FGADRP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+](C)[C@H](C)C(C)(C)C)CC1 ZINC000052557973 494039785 /nfs/dbraw/zinc/03/97/85/494039785.db2.gz JUPPZRSGPBDJPS-GOSISDBHSA-N 2 0 359.558 3.442 20 0 FGADRP OCC[C@H]1CCCC[N@@H+]1Cc1cccc(C[NH+]2CCCC[C@H]2CCO)c1 ZINC000070950233 494073782 /nfs/dbraw/zinc/07/37/82/494073782.db2.gz PPAOJKKCWQTSON-SZPZYZBQSA-N 2 0 360.542 3.160 20 0 FGADRP C[C@H](NC(=O)N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1)C(C)(C)C[NH+](C)C ZINC000085366748 494117343 /nfs/dbraw/zinc/11/73/43/494117343.db2.gz AIWXBHIFGAKDPI-MOPGFXCFSA-N 2 0 374.573 3.269 20 0 FGADRP Cc1ccc([C@@H](CNC(=O)NC2CC[NH+](CC(C)C)CC2)[NH+](C)C)cc1 ZINC000065466469 494200430 /nfs/dbraw/zinc/20/04/30/494200430.db2.gz WZDICCFTVGFRJD-HXUWFJFHSA-N 2 0 360.546 3.017 20 0 FGADRP Cc1c[nH+]ccc1N1CCC(C(=O)NC[C@H](c2cccs2)[NH+](C)C)CC1 ZINC000072810364 494255552 /nfs/dbraw/zinc/25/55/52/494255552.db2.gz YDGIYTOAICDHLI-GOSISDBHSA-N 2 0 372.538 3.087 20 0 FGADRP CCC[NH+]1CCN(c2ccccc2C[NH2+]C[C@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC000088703157 494256440 /nfs/dbraw/zinc/25/64/40/494256440.db2.gz MHCFKEWJATYWLD-OAQYLSRUSA-N 3 0 372.601 3.429 20 0 FGADRP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)C1 ZINC000054805503 494273250 /nfs/dbraw/zinc/27/32/50/494273250.db2.gz LBGOCPCGSTYASR-HNNXBMFYSA-N 2 0 352.567 3.105 20 0 FGADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000078559855 494320164 /nfs/dbraw/zinc/32/01/64/494320164.db2.gz VYBHFLTYMWVSKB-IRXDYDNUSA-N 2 0 364.559 3.059 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)NCCCC[NH+]2CCCC2)C1 ZINC000073202470 494336160 /nfs/dbraw/zinc/33/61/60/494336160.db2.gz CHHSSNKOXHKRAH-UXHICEINSA-N 2 0 364.578 3.158 20 0 FGADRP C[NH+](C)Cc1cccc(NC(=O)NCCC[N@@H+]2CCc3ccccc3C2)c1 ZINC000044277025 494346400 /nfs/dbraw/zinc/34/64/00/494346400.db2.gz XOUIVXDUCJJEIF-UHFFFAOYSA-N 2 0 366.509 3.318 20 0 FGADRP CC(C)[NH+](Cc1cncc(C[N@@H+](C(C)C)[C@@H]2CCOC2)c1)[C@@H]1CCOC1 ZINC000580277818 505720746 /nfs/dbraw/zinc/72/07/46/505720746.db2.gz BEYQVRMQOKNKSG-NHCUHLMSSA-N 2 0 361.530 3.080 20 0 FGADRP O=C(NCC[NH+]1CCCC1)c1ccc(C[NH2+][C@@H]2CCc3ccccc32)cc1 ZINC000090028332 494430166 /nfs/dbraw/zinc/43/01/66/494430166.db2.gz YASDBSUEVLEOSD-JOCHJYFZSA-N 2 0 363.505 3.289 20 0 FGADRP C[C@H](CCc1ccco1)[NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000090028220 494430551 /nfs/dbraw/zinc/43/05/51/494430551.db2.gz YYQBWUFHHBHOTC-GOSISDBHSA-N 2 0 369.509 3.216 20 0 FGADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000079293225 494431341 /nfs/dbraw/zinc/43/13/41/494431341.db2.gz MFVOEGUBKSCIOE-IBGZPJMESA-N 2 0 364.578 3.158 20 0 FGADRP CCc1nc(C)c([C@H](C)[NH2+]Cc2ccc(C(=O)NCC[NH+](C)C)cc2)s1 ZINC000090038565 494431322 /nfs/dbraw/zinc/43/13/22/494431322.db2.gz BSOGAIKTGFNHLK-AWEZNQCLSA-N 2 0 374.554 3.156 20 0 FGADRP C[C@@H](CCc1ccc(F)cc1)[NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000090038558 494431477 /nfs/dbraw/zinc/43/14/77/494431477.db2.gz ZBYKYGOHQRTTCR-KRWDZBQOSA-N 2 0 371.500 3.228 20 0 FGADRP C[C@@H]1Cc2ccccc2[C@H]1[NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000090038578 494431623 /nfs/dbraw/zinc/43/16/23/494431623.db2.gz SNNPHSPICPMUPZ-IERDGZPVSA-N 2 0 351.494 3.001 20 0 FGADRP C[NH+](C)CCNC(=O)c1ccc(C[NH2+][C@@H]2CC(C)(C)Cc3occc32)cc1 ZINC000090038757 494432544 /nfs/dbraw/zinc/43/25/44/494432544.db2.gz OSTCXXVWNXTZLZ-LJQANCHMSA-N 2 0 369.509 3.374 20 0 FGADRP Cc1ccc([C@H](CNC(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)[NH+](C)C)cc1 ZINC000073897533 494444561 /nfs/dbraw/zinc/44/45/61/494444561.db2.gz UXZQGMSPXOLYNP-PMACEKPBSA-N 2 0 360.546 3.114 20 0 FGADRP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)NCc2cccc(C[NH+](C)C)c2)C1 ZINC000079394519 494445724 /nfs/dbraw/zinc/44/57/24/494445724.db2.gz GRZKXDYFAJXJTF-RTBURBONSA-N 2 0 374.573 3.306 20 0 FGADRP CC[NH+](CC)CCOc1ccccc1NC(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000079564857 494482995 /nfs/dbraw/zinc/48/29/95/494482995.db2.gz PKFBWOKBGCKWDM-PKOBYXMFSA-N 2 0 374.529 3.156 20 0 FGADRP CC(C)[N@H+](C)CC1CCN(C(=O)NCC(C)(C)[NH+]2CCCCC2)CC1 ZINC000079572218 494483990 /nfs/dbraw/zinc/48/39/90/494483990.db2.gz GWRBDKCFBAGDFG-UHFFFAOYSA-N 2 0 352.567 3.013 20 0 FGADRP C[C@H]([NH2+]C1CCC([NH+]2CCC(C)CC2)CC1)c1ccc(-n2cnnn2)cc1 ZINC000090775285 494496851 /nfs/dbraw/zinc/49/68/51/494496851.db2.gz GZPSOTKQQJJHFQ-KKXNLOMOSA-N 2 0 368.529 3.356 20 0 FGADRP C[C@@H](CNC(=O)c1oc2ccccc2c1C[NH+](C)C)[N@@H+]1CCC[C@H](C)C1 ZINC000074219514 494500288 /nfs/dbraw/zinc/50/02/88/494500288.db2.gz MQRALRNIZQCZSM-HOTGVXAUSA-N 2 0 357.498 3.345 20 0 FGADRP C[C@@H](CNC(=O)c1oc2ccccc2c1C[NH+](C)C)[N@@H+]1CCC[C@@H](C)C1 ZINC000074219510 494500394 /nfs/dbraw/zinc/50/03/94/494500394.db2.gz MQRALRNIZQCZSM-CVEARBPZSA-N 2 0 357.498 3.345 20 0 FGADRP C[C@@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)c1ccc(F)cc1N(C)C ZINC000090937153 494504209 /nfs/dbraw/zinc/50/42/09/494504209.db2.gz UXUPINUAGLJPCS-OAHLLOKOSA-N 2 0 360.477 3.078 20 0 FGADRP C[C@H](C(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1)[NH+]1CCCCCC1 ZINC000074249909 494504232 /nfs/dbraw/zinc/50/42/32/494504232.db2.gz TUCHEROKCVMJQS-QZTJIDSGSA-N 2 0 363.571 3.341 20 0 FGADRP COc1ccc([C@@H](C)[C@@H](C)[NH2+]Cc2ccnc(OCC[NH+](C)C)c2)cc1 ZINC000090936993 494504921 /nfs/dbraw/zinc/50/49/21/494504921.db2.gz VIUSFKQZHHDAAZ-DLBZAZTESA-N 2 0 357.498 3.312 20 0 FGADRP C[NH+](C)CCC1CC[NH+](CC(=O)N(Cc2ccccc2)C(C)(C)C)CC1 ZINC000056523921 494520181 /nfs/dbraw/zinc/52/01/81/494520181.db2.gz QGQWFKODPAVCTH-UHFFFAOYSA-N 2 0 359.558 3.477 20 0 FGADRP CC[NH+](CC)Cc1ccc(CNC(=O)NC[C@H](C)C[NH+]2CCCC2)cc1 ZINC000079922577 494550512 /nfs/dbraw/zinc/55/05/12/494550512.db2.gz XIKSOFMGQDMRHW-SFHVURJKSA-N 2 0 360.546 3.060 20 0 FGADRP CC(C)C[NH+]1CCC(NC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000067593341 494577214 /nfs/dbraw/zinc/57/72/14/494577214.db2.gz KSNLNFSTRYCMMI-HXUWFJFHSA-N 2 0 357.542 3.135 20 0 FGADRP CCC[NH+]1CCC(NC(=O)N(C)C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000074710364 494579034 /nfs/dbraw/zinc/57/90/34/494579034.db2.gz BFOQSAGYPKRQTC-UHFFFAOYSA-N 2 0 372.557 3.167 20 0 FGADRP CC(C)[NH+](CCCNC(=O)NC[C@H](c1cccs1)[NH+](C)C)C(C)C ZINC000074804147 494604943 /nfs/dbraw/zinc/60/49/43/494604943.db2.gz MHIUOVLQNQTILZ-MRXNPFEDSA-N 2 0 354.564 3.159 20 0 FGADRP CCC(CC)[C@@H](CNC(=O)N1CCC(CC[NH+](C)C)CC1)[NH+]1CCCC1 ZINC000126040490 494615184 /nfs/dbraw/zinc/61/51/84/494615184.db2.gz LKHLWFVOOZDSRZ-HXUWFJFHSA-N 2 0 366.594 3.260 20 0 FGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H]2CCCOc3c(Cl)cccc32)CC1 ZINC000121161091 494624000 /nfs/dbraw/zinc/62/40/00/494624000.db2.gz SUTNNXIFOYDVAJ-VQIMIIECSA-N 2 0 365.949 3.417 20 0 FGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H](C)c2ccc(SC)c(F)c2)CC1 ZINC000121204550 494645091 /nfs/dbraw/zinc/64/50/91/494645091.db2.gz DYDVXBNYMBYPTQ-CVEARBPZSA-N 2 0 353.551 3.472 20 0 FGADRP C[N@H+](Cc1ccccc1CNC(=O)N1CCC[C@@H]([NH3+])C1)C1CCCCC1 ZINC000568608016 505735965 /nfs/dbraw/zinc/73/59/65/505735965.db2.gz LYDRDZUALXYRSB-LJQANCHMSA-N 2 0 358.530 3.084 20 0 FGADRP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)c1oc2ccccc2c1C[NH+](C)C ZINC000075158495 494699110 /nfs/dbraw/zinc/69/91/10/494699110.db2.gz QDJTXXLPBDSLHF-MRXNPFEDSA-N 2 0 357.498 3.441 20 0 FGADRP C[N@@H+]1CC[C@H]([NH2+]CCc2nc(-c3ccc(Cl)cc3)no2)[C@@H]2CCC[C@@H]21 ZINC000580340628 505736559 /nfs/dbraw/zinc/73/65/59/505736559.db2.gz VLJPTCBURZVZDZ-ULQDDVLXSA-N 2 0 360.889 3.395 20 0 FGADRP C[N@@H+]1CCC[C@@H](C[NH2+]CC2=Cc3cc(Br)ccc3OC2)C1 ZINC000108428629 494705381 /nfs/dbraw/zinc/70/53/81/494705381.db2.gz UQEDCDQLXVAEDM-ZDUSSCGKSA-N 2 0 351.288 3.156 20 0 FGADRP C[NH+](C)Cc1c2ccccc2oc1C(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000075200298 494706300 /nfs/dbraw/zinc/70/63/00/494706300.db2.gz KOZKPNBDPKFUFR-KRWDZBQOSA-N 2 0 369.509 3.489 20 0 FGADRP CC[NH+](CC)CCOc1ccccc1NC(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000108500158 494723627 /nfs/dbraw/zinc/72/36/27/494723627.db2.gz LYEPJPUEPBJRPG-GOSISDBHSA-N 2 0 374.529 3.013 20 0 FGADRP COCCc1nc(C)c([C@@H](C)[NH2+]CCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)s1 ZINC000092742009 494735731 /nfs/dbraw/zinc/73/57/31/494735731.db2.gz SDJNEYHWBXSKAA-OWCLPIDISA-N 2 0 369.575 3.180 20 0 FGADRP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000025508874 494750670 /nfs/dbraw/zinc/75/06/70/494750670.db2.gz MIHQBUHDMRMPAF-QRVBRYPASA-N 2 0 357.542 3.134 20 0 FGADRP C[C@H](C(=O)N1CCCCCC1)[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092820970 494762829 /nfs/dbraw/zinc/76/28/29/494762829.db2.gz ICKXNORUFPLTQV-LJQANCHMSA-N 2 0 372.557 3.411 20 0 FGADRP C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)Cc1nc(-c2ccoc2)no1 ZINC000092821576 494764401 /nfs/dbraw/zinc/76/44/01/494764401.db2.gz HQQLPDCTPHACCO-UHFFFAOYSA-N 2 0 367.453 3.463 20 0 FGADRP O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH+]1Cc1ccccc1 ZINC000108711156 494767331 /nfs/dbraw/zinc/76/73/31/494767331.db2.gz CKIUYNFUQPOWFU-YADHBBJMSA-N 2 0 363.505 3.042 20 0 FGADRP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)NCC[N@H+](C)C2CCCC2)CC1 ZINC000116435076 494786001 /nfs/dbraw/zinc/78/60/01/494786001.db2.gz IFFVDNVPIVCHKP-SFHVURJKSA-N 2 0 372.557 3.386 20 0 FGADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@H]1CCCOc2cc3c(cc21)CCCC3 ZINC000126676621 494817484 /nfs/dbraw/zinc/81/74/84/494817484.db2.gz NVDCWCPOBJLOAY-UWJYYQICSA-N 2 0 357.542 3.005 20 0 FGADRP CSC1(C[NH2+][C@@H]2C[C@H](C)CN(Cc3ccccc3)C2)CC[NH+](C)CC1 ZINC000580384338 505746043 /nfs/dbraw/zinc/74/60/43/505746043.db2.gz QVBLGWVHHYTITO-AZUAARDMSA-N 2 0 361.599 3.314 20 0 FGADRP COc1cc([C@H](C)[NH2+]C[C@@H](C(C)C)N2CC[NH+](C)CC2)ccc1SC ZINC000132522350 494887221 /nfs/dbraw/zinc/88/72/21/494887221.db2.gz SKRJNGLXSWBJJK-WMZOPIPTSA-N 2 0 365.587 3.340 20 0 FGADRP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccccc2N(C)C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000093639242 494906858 /nfs/dbraw/zinc/90/68/58/494906858.db2.gz KIIIBAPRBPCSND-DENIHFKCSA-N 3 0 372.601 3.379 20 0 FGADRP CC[NH+](CC)Cc1ccccc1CNC(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000117285487 494908156 /nfs/dbraw/zinc/90/81/56/494908156.db2.gz WELLRWMADHCMRX-OAQYLSRUSA-N 2 0 372.557 3.298 20 0 FGADRP CCOc1cc(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)ccc1OC ZINC000093735021 494914939 /nfs/dbraw/zinc/91/49/39/494914939.db2.gz XSZNBINICRDJQM-UHFFFAOYSA-N 2 0 362.514 3.171 20 0 FGADRP Cc1cc(C)n2c(C[NH+]3CCC(CCC[NH+]4CCCC4)CC3)cnc2n1 ZINC000093769319 494919097 /nfs/dbraw/zinc/91/90/97/494919097.db2.gz BJYJPNQGIBGQJN-UHFFFAOYSA-N 2 0 355.530 3.434 20 0 FGADRP C[NH+](C)CCCOc1cnccc1C[NH2+][C@@H]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000577557016 505751392 /nfs/dbraw/zinc/75/13/92/505751392.db2.gz RJIOCLNHMQONSJ-YSIASYRMSA-N 2 0 361.530 3.097 20 0 FGADRP C[C@@H](C[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1)N1CCC[C@@H](C)C1 ZINC000132993267 494954011 /nfs/dbraw/zinc/95/40/11/494954011.db2.gz BMOYPRVWQWVOME-UXHICEINSA-N 2 0 372.601 3.427 20 0 FGADRP C[C@H]([NH2+]Cc1ccccc1OCC[NH+](C)C)c1ccc(-n2cncn2)cc1 ZINC000122403164 494970264 /nfs/dbraw/zinc/97/02/64/494970264.db2.gz DAWKWYNUIWDSIQ-KRWDZBQOSA-N 2 0 365.481 3.059 20 0 FGADRP C[C@H](C[NH2+][C@@H](C)C(c1ccccc1)c1ccccc1)N1CC[NH+](C)CC1 ZINC000127635635 494974012 /nfs/dbraw/zinc/97/40/12/494974012.db2.gz CUDQCPIQUQPGAT-UXHICEINSA-N 2 0 351.538 3.433 20 0 FGADRP CCOCCC1(C[NH2+][C@@H]2CC[N@H+](C[C@@H]3CCCO3)C[C@@H]2C)CCCC1 ZINC000122565859 494995602 /nfs/dbraw/zinc/99/56/02/494995602.db2.gz RHIIINRKGCXFRI-SLFFLAALSA-N 2 0 352.563 3.452 20 0 FGADRP C[C@H]1CSCC[NH+](Cc2cncc(C[N@H+]3CCSC[C@H](C)C3)c2)C1 ZINC000577577875 505756808 /nfs/dbraw/zinc/75/68/08/505756808.db2.gz WDPSLXRNIUBEJN-IAGOWNOFSA-N 2 0 365.612 3.451 20 0 FGADRP CC[NH+]1CCN(c2ccc(NC(=O)[C@H](C)[N@H+]3[C@H](C)CC[C@@H]3C)c(C)c2)CC1 ZINC000122807777 495034405 /nfs/dbraw/zinc/03/44/05/495034405.db2.gz BUIBQEINTDFENB-OTWHNJEPSA-N 2 0 372.557 3.337 20 0 FGADRP C[C@H]([NH2+]Cc1cccc(C[NH+]2CCCC2)c1)c1ccc(-n2cnnn2)cc1 ZINC000123078834 495077293 /nfs/dbraw/zinc/07/72/93/495077293.db2.gz MUOAEYQDOFOALX-KRWDZBQOSA-N 2 0 362.481 3.109 20 0 FGADRP CCN(Cc1ccccc1)C(=O)[C@H](C)[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123311881 495112690 /nfs/dbraw/zinc/11/26/90/495112690.db2.gz AMFYMCDVZINUCG-IBGZPJMESA-N 2 0 359.558 3.477 20 0 FGADRP CC(C)N(Cc1ccccc1)C(=O)NC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000102013638 495115354 /nfs/dbraw/zinc/11/53/54/495115354.db2.gz AYIJVTPERJGMQK-UHFFFAOYSA-N 2 0 372.557 3.165 20 0 FGADRP C[C@@H](C(=O)N[C@@H]1CCOc2ccccc21)[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123408373 495128116 /nfs/dbraw/zinc/12/81/16/495128116.db2.gz UWSAQFMDAXAJFI-FXAWDEMLSA-N 2 0 373.541 3.069 20 0 FGADRP CC[N@H+](C)Cc1cccc(CNC(=O)N(C)[C@H]2CC[NH+](CC)C[C@H]2C)c1 ZINC000128779179 495148768 /nfs/dbraw/zinc/14/87/68/495148768.db2.gz FGQCDWAIPHPQOU-XLIONFOSSA-N 2 0 360.546 3.010 20 0 FGADRP COc1ccc([C@H](CNC(=O)C[C@@H]([NH3+])c2ccccc2)[NH+]2CCCC2)cc1 ZINC000119423501 495164438 /nfs/dbraw/zinc/16/44/38/495164438.db2.gz KWGPZYQKNOEEMN-RTWAWAEBSA-N 2 0 367.493 3.038 20 0 FGADRP C[C@H](C(=O)N1CCCCC1)[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000103228036 495205958 /nfs/dbraw/zinc/20/59/58/495205958.db2.gz WAZMJIRBSSOQIG-LJQANCHMSA-N 2 0 357.542 3.231 20 0 FGADRP C[NH+]1CCC(CCNC(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)CC1 ZINC000103320855 495220150 /nfs/dbraw/zinc/22/01/50/495220150.db2.gz ORYOETIPJVDBDN-FQEVSTJZSA-N 2 0 364.578 3.016 20 0 FGADRP CN(CC[NH+]1CCCC1)C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000112746788 495235370 /nfs/dbraw/zinc/23/53/70/495235370.db2.gz LGUCEDLAUZACTR-UHFFFAOYSA-N 2 0 372.557 3.300 20 0 FGADRP O=C(c1ccc2c[nH+]cn2c1)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000574418332 505769165 /nfs/dbraw/zinc/76/91/65/505769165.db2.gz UJEJKMZYOXAWIM-HSZRJFAPSA-N 2 0 374.488 3.463 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N(C)CC1CC[NH+](C)CC1)c1ccccc1 ZINC000103506864 495244482 /nfs/dbraw/zinc/24/44/82/495244482.db2.gz UVZVOCZIRHKAQX-HXUWFJFHSA-N 2 0 360.546 3.053 20 0 FGADRP C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N2CC[C@H](C[NH+](C)C)C2)C1 ZINC000129459744 495247965 /nfs/dbraw/zinc/24/79/65/495247965.db2.gz FRXIQEGGSRVAKM-RTBURBONSA-N 2 0 372.557 3.012 20 0 FGADRP C[C@@H]1C[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C[N@@H+]1Cc1ccccc1 ZINC000577647425 505770403 /nfs/dbraw/zinc/77/04/03/505770403.db2.gz NUFVKICSYQTQBW-GCJKJVERSA-N 2 0 365.521 3.184 20 0 FGADRP C[C@H]([NH2+][C@H]1COc2ccc(F)cc2C1)c1cccc(OCC[NH+](C)C)c1 ZINC000577655683 505770856 /nfs/dbraw/zinc/77/08/56/505770856.db2.gz VFOZCXNVCMVSFT-HNAYVOBHSA-N 2 0 358.457 3.420 20 0 FGADRP CN(C)CC[NH+]1CCC(C[NH2+][C@@H]2CCSc3ccc(F)cc32)CC1 ZINC000124319166 495268911 /nfs/dbraw/zinc/26/89/11/495268911.db2.gz BDDYTLXKKILBPE-GOSISDBHSA-N 2 0 351.535 3.226 20 0 FGADRP Cc1nc(C(C)C)sc1[C@H](C)[NH2+]CC1CC[NH+](CCN(C)C)CC1 ZINC000124361322 495275949 /nfs/dbraw/zinc/27/59/49/495275949.db2.gz RRYZZCCYQKPHEB-HNNXBMFYSA-N 2 0 352.592 3.499 20 0 FGADRP CN1CCC([NH+]2CCC(NC(=O)/C=C/c3cc4ccccc4o3)CC2)CC1 ZINC000124389000 495279250 /nfs/dbraw/zinc/27/92/50/495279250.db2.gz PNNJZVOMOYEUQE-VOTSOKGWSA-N 2 0 367.493 3.121 20 0 FGADRP C[NH+](C)C[C@H]1CCN(C(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)C1 ZINC000129785556 495295281 /nfs/dbraw/zinc/29/52/81/495295281.db2.gz OVSKQJBQADSUDU-OAQYLSRUSA-N 2 0 372.557 3.156 20 0 FGADRP COC1(C[NH+]2CCN([C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)CCCCC1 ZINC000574439045 505773394 /nfs/dbraw/zinc/77/33/94/505773394.db2.gz PQIKZFHYPZPSJQ-JOCHJYFZSA-N 2 0 371.569 3.228 20 0 FGADRP C[C@H]([NH2+]C(C)(C)CNC(=O)N1CCC([NH+]2CCCC2)CC1)c1ccccc1 ZINC000113625575 495322992 /nfs/dbraw/zinc/32/29/92/495322992.db2.gz SBFNVBQBYBRZQY-SFHVURJKSA-N 2 0 372.557 3.386 20 0 FGADRP C[C@@H]([NH2+]C1(CNC(=O)N2CC[C@@H](C[NH+](C)C)C2)CCCC1)c1ccccc1 ZINC000129993142 495325511 /nfs/dbraw/zinc/32/55/11/495325511.db2.gz FFEVDAWKYBUHEC-MOPGFXCFSA-N 2 0 372.557 3.243 20 0 FGADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)NCc2cccc(C[NH+]3CCCC3)c2)C1 ZINC000105118749 495339091 /nfs/dbraw/zinc/33/90/91/495339091.db2.gz MOHNGINAVKFSKB-OAQYLSRUSA-N 2 0 372.557 3.202 20 0 FGADRP CN(C(=O)CC[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1)c1ccccc1 ZINC000130104247 495342271 /nfs/dbraw/zinc/34/22/71/495342271.db2.gz XFDDEWHOJCIREO-UHFFFAOYSA-N 2 0 366.509 3.283 20 0 FGADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@@H]1CC2(CCCCC2)Oc2ccccc21 ZINC000130141056 495348030 /nfs/dbraw/zinc/34/80/30/495348030.db2.gz FLEZLQOXZVZVSB-AZUAARDMSA-N 2 0 357.542 3.439 20 0 FGADRP C[C@H](CC(=O)NCC[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1)[C@H]1CCC[NH2+]C1 ZINC000574450897 505776355 /nfs/dbraw/zinc/77/63/55/505776355.db2.gz XLIJFFJEYBOTLA-KIZRIRGWSA-N 2 0 371.569 3.429 20 0 FGADRP O=C(NCC[N@@H+]1CCc2ccccc2C1)c1cccc(C[NH+]2CCCC2)c1 ZINC000124912838 495362931 /nfs/dbraw/zinc/36/29/31/495362931.db2.gz TUHOGOHOOKZNSI-UHFFFAOYSA-N 2 0 363.505 3.071 20 0 FGADRP COc1c(Cl)cc(Cl)cc1C[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000105476424 495365839 /nfs/dbraw/zinc/36/58/39/495365839.db2.gz YRFDUQSNAZZKEX-UHFFFAOYSA-N 2 0 360.329 3.119 20 0 FGADRP C[C@H](CCNC(=O)N(C)[C@H](C)C1CC[NH+](C)CC1)[N@H+](C)Cc1ccccc1 ZINC000571630282 505777466 /nfs/dbraw/zinc/77/74/66/505777466.db2.gz KOEZXOJWDRMFSO-RTBURBONSA-N 2 0 374.573 3.269 20 0 FGADRP CCCC[N@H+](C)CC1CC[NH+]([C@@H](C)C(=O)NCc2ccccc2F)CC1 ZINC000114475562 495380940 /nfs/dbraw/zinc/38/09/40/495380940.db2.gz FUKPJQFBXGEFGB-KRWDZBQOSA-N 2 0 363.521 3.274 20 0 FGADRP CC[NH+](CC)Cc1ccccc1CNC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000136577463 495388061 /nfs/dbraw/zinc/38/80/61/495388061.db2.gz XKHHZOJXYYFEMH-SFTDATJTSA-N 2 0 372.557 3.154 20 0 FGADRP CCC(CC)[C@H](CNC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1)[NH+]1CCCC1 ZINC000136688195 495395028 /nfs/dbraw/zinc/39/50/28/495395028.db2.gz JYBYHTBUWHCISD-AABGKKOBSA-N 2 0 364.578 3.013 20 0 FGADRP CC[N@@H+]1CC[C@@H]([NH2+]CCCC[NH+]2CCN(c3cccc(C)c3)CC2)[C@H](C)C1 ZINC000125326863 495426671 /nfs/dbraw/zinc/42/66/71/495426671.db2.gz SILJVOLGSNXUBW-FYYLOGMGSA-N 3 0 372.601 3.217 20 0 FGADRP Cc1cccc(N2CC[NH+](CCCC[NH2+][C@H]3C[C@H](C)N(C4CC4)C3)CC2)c1 ZINC000125335284 495427954 /nfs/dbraw/zinc/42/79/54/495427954.db2.gz AXXOWFCCWDLROM-SFTDATJTSA-N 2 0 370.585 3.112 20 0 FGADRP COc1ccc([C@H](O)C[NH2+][C@@H](C)c2cccc(OCC[NH+](C)C)c2)cc1 ZINC000125403208 495439325 /nfs/dbraw/zinc/43/93/25/495439325.db2.gz KIUMDGQITBSNNN-HRAATJIYSA-N 2 0 358.482 3.020 20 0 FGADRP CC[N@H+](C)Cc1cccc(CNC(=O)NCCCC[NH+]2CCC[C@H](C)C2)c1 ZINC000130877209 495459967 /nfs/dbraw/zinc/45/99/67/495459967.db2.gz LTYZIIBTDUYFSP-IBGZPJMESA-N 2 0 374.573 3.450 20 0 FGADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)CC(=O)Nc2ccc(Br)cc2)C1 ZINC000120798169 495460073 /nfs/dbraw/zinc/46/00/73/495460073.db2.gz GFGYVOHUDXHGOV-UONOGXRCSA-N 2 0 368.319 3.098 20 0 FGADRP CC[C@H]([NH2+]C[C@H](C)CN1CC[NH+](C)CC1)c1cc(Cl)ccc1OC ZINC000120840293 495468644 /nfs/dbraw/zinc/46/86/44/495468644.db2.gz BJZFUAWVTOFYKB-YJBOKZPZSA-N 2 0 353.938 3.273 20 0 FGADRP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)NCCC[NH2+]C1CCCCC1 ZINC000125685797 495482734 /nfs/dbraw/zinc/48/27/34/495482734.db2.gz OCYMUHSXXIBVCJ-SFHVURJKSA-N 2 0 352.567 3.253 20 0 FGADRP C[C@H](C[NH2+][C@H](C)[C@@H](C)c1nc2ccccc2s1)CN1CC[NH+](C)CC1 ZINC000120932054 495487705 /nfs/dbraw/zinc/48/77/05/495487705.db2.gz PECZFKSUVWIKOU-BRWVUGGUSA-N 2 0 360.571 3.261 20 0 FGADRP Cc1nc(-c2cccnc2)sc1[C@@H](C)[NH2+]C[C@@H](C)CN1CC[NH+](C)CC1 ZINC000120958517 495492409 /nfs/dbraw/zinc/49/24/09/495492409.db2.gz INQXTNZCUKHFKI-HZPDHXFCSA-N 2 0 373.570 3.048 20 0 FGADRP C[C@@H]([NH2+]Cc1ccc(F)c(C[NH+](C)C)c1)c1ccc(-n2cncn2)cc1 ZINC000120978428 495496898 /nfs/dbraw/zinc/49/68/98/495496898.db2.gz NTOPMBHEBXRXHU-OAHLLOKOSA-N 2 0 353.445 3.319 20 0 FGADRP COc1cc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C(C)C)C2)cc(OC)c1OC ZINC000125818922 495503304 /nfs/dbraw/zinc/50/33/04/495503304.db2.gz PDRMLQNCGVYKHP-HOTGVXAUSA-N 2 0 350.503 3.483 20 0 FGADRP O=C(C[NH+](CC1CC1)CC1CC1)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000115562989 495517723 /nfs/dbraw/zinc/51/77/23/495517723.db2.gz MUHMPGUDOALRMG-UHFFFAOYSA-N 2 0 373.566 3.296 20 0 FGADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)Nc1ccc(OCCC[NH+](C)C)cc1 ZINC000107385235 495526733 /nfs/dbraw/zinc/52/67/33/495526733.db2.gz NTJDHXWDANZGTH-KRWDZBQOSA-N 2 0 362.518 3.013 20 0 FGADRP C[NH+]1CCN(c2ncccc2C[NH2+][C@H]2CCc3cc(Cl)ccc32)CC1 ZINC000158522190 495530531 /nfs/dbraw/zinc/53/05/31/495530531.db2.gz YCNMPTBUENDIAO-IBGZPJMESA-N 2 0 356.901 3.264 20 0 FGADRP CN(CC[NH+](C)C)C(=O)NCc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000176191515 495538943 /nfs/dbraw/zinc/53/89/43/495538943.db2.gz OUAJUTOAOLGLDK-UHFFFAOYSA-N 2 0 368.525 3.118 20 0 FGADRP CC(C)C[NH+]1CCC(NC(=O)N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)CC1 ZINC000182386819 495542812 /nfs/dbraw/zinc/54/28/12/495542812.db2.gz MYJLECYPVWXJJG-QZTJIDSGSA-N 2 0 364.578 3.059 20 0 FGADRP CC[NH+]1CCN(CCC[NH2+][C@@H](C)c2ccc(F)c(Br)c2)CC1 ZINC000154232725 495552617 /nfs/dbraw/zinc/55/26/17/495552617.db2.gz OJMUPNUWWSKLAS-AWEZNQCLSA-N 2 0 372.326 3.266 20 0 FGADRP CC[NH+]1CCN(CCC[NH2+][C@@H]2CCc3cc(Br)ccc32)CC1 ZINC000154233360 495552694 /nfs/dbraw/zinc/55/26/94/495552694.db2.gz QUUMWEPQWBYIES-GOSISDBHSA-N 2 0 366.347 3.054 20 0 FGADRP COc1ccccc1CCC[NH+]1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000182421442 495557969 /nfs/dbraw/zinc/55/79/69/495557969.db2.gz DTUUAHUWTBXSNH-WOJBJXKFSA-N 2 0 359.558 3.118 20 0 FGADRP CCC[NH+]1CCC(N(C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000170716043 495578019 /nfs/dbraw/zinc/57/80/19/495578019.db2.gz DURBFRYZFJNCIS-UHFFFAOYSA-N 2 0 372.557 3.167 20 0 FGADRP CC[NH+]1CCN(CCC[NH2+][C@H](C)c2cccc(OC(F)(F)F)c2)CC1 ZINC000154326239 495582127 /nfs/dbraw/zinc/58/21/27/495582127.db2.gz DPDINCXPDCBPMQ-OAHLLOKOSA-N 2 0 359.436 3.263 20 0 FGADRP Clc1ccc(N2CCC([NH2+]CCCC[NH+]3CCOCC3)CC2)cc1 ZINC000158782812 495588530 /nfs/dbraw/zinc/58/85/30/495588530.db2.gz GPCKEVFVYTYSRW-UHFFFAOYSA-N 2 0 351.922 3.011 20 0 FGADRP Oc1cc(F)cc(C[NH2+]CCCC[NH+]2CCN(c3ccccc3)CC2)c1 ZINC000185472443 495590443 /nfs/dbraw/zinc/59/04/43/495590443.db2.gz KJJJQCBVTQTTFA-UHFFFAOYSA-N 2 0 357.473 3.223 20 0 FGADRP CCSc1cccc(C[NH2+]Cc2cccnc2N2CC[NH+](C)CC2)c1 ZINC000185493725 495598143 /nfs/dbraw/zinc/59/81/43/495598143.db2.gz VFOMIGRFUQPDDR-UHFFFAOYSA-N 2 0 356.539 3.235 20 0 FGADRP C[C@@H]([NH2+]CCCC[NH+]1CCN(C)CC1)[C@H](C)c1nc2ccccc2s1 ZINC000154388928 495601262 /nfs/dbraw/zinc/60/12/62/495601262.db2.gz KODGBDSXIGYJRS-DLBZAZTESA-N 2 0 360.571 3.406 20 0 FGADRP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccc(-c4ccc(F)cc4)o3)C2)CC1 ZINC000179476646 495606718 /nfs/dbraw/zinc/60/67/18/495606718.db2.gz TWQDYVPRTISOIS-LJQANCHMSA-N 2 0 357.473 3.298 20 0 FGADRP CCC1(CO)CC[NH+](CCCCC[NH+]2CCC(CC)(CO)CC2)CC1 ZINC000179507680 495620152 /nfs/dbraw/zinc/62/01/52/495620152.db2.gz OODXBCBPHGYWIS-UHFFFAOYSA-N 2 0 354.579 3.126 20 0 FGADRP CC(C)[C@@H](NC(=O)CN1CC[C@H](C[NH+]2CCCC2)C1)c1ccc(F)cc1 ZINC000150820674 495644558 /nfs/dbraw/zinc/64/45/58/495644558.db2.gz HOVVRFJJTDZYHN-DYESRHJHSA-N 2 0 361.505 3.057 20 0 FGADRP O=C([C@@H]1CCC[N@H+](Cc2ccccc2)C1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000150818191 495644607 /nfs/dbraw/zinc/64/46/07/495644607.db2.gz UQYFJQSNYSKUGF-YADHBBJMSA-N 2 0 369.553 3.376 20 0 FGADRP CCN(C(=O)NC1CC[NH+](C(C)C)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000159050917 495646267 /nfs/dbraw/zinc/64/62/67/495646267.db2.gz PAGYDDLZOMVGHJ-OAQYLSRUSA-N 2 0 372.557 3.165 20 0 FGADRP CCOc1ccccc1[C@H](C)[NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000159196005 495681193 /nfs/dbraw/zinc/68/11/93/495681193.db2.gz LVPMDKYFTQPNLG-KRWDZBQOSA-N 2 0 354.498 3.083 20 0 FGADRP Cc1ccc(C[C@@H]([NH2+]Cc2ccnc(N3CC[NH+](C)CC3)c2)C2CC2)cc1 ZINC000159217824 495685807 /nfs/dbraw/zinc/68/58/07/495685807.db2.gz SJBLUCYGGQOKDR-JOCHJYFZSA-N 2 0 364.537 3.253 20 0 FGADRP Cc1ccc(OC(F)F)c([C@H](C)[NH2+]C2CCN(CC[NH+](C)C)CC2)c1 ZINC000150951762 495692526 /nfs/dbraw/zinc/69/25/26/495692526.db2.gz OLALGSTXCGTVHA-HNNXBMFYSA-N 2 0 355.473 3.273 20 0 FGADRP CN(c1ccccc1C[NH2+]CCC(=O)OC(C)(C)C)C1CC[NH+](C)CC1 ZINC000150984169 495701885 /nfs/dbraw/zinc/70/18/85/495701885.db2.gz QVVHOAFNULCZHN-UHFFFAOYSA-N 2 0 361.530 3.038 20 0 FGADRP CCOc1ccc([C@H](C)[NH2+]C2CCN(CC[NH+](C)C)CC2)cc1OCC ZINC000150999322 495706285 /nfs/dbraw/zinc/70/62/85/495706285.db2.gz XYWHKZOMQDSBJY-KRWDZBQOSA-N 2 0 363.546 3.161 20 0 FGADRP CC(C)[NH+]1CCC(C(=O)NC[C@]2(C)CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000154837464 495744173 /nfs/dbraw/zinc/74/41/73/495744173.db2.gz WSKWHQZMCMGYCV-QFIPXVFZSA-N 2 0 357.542 3.278 20 0 FGADRP CCC[N@@H+]1CC[C@@H](C[NH2+]C2CCN(C(=O)c3ccc(Cl)cc3)CC2)C1 ZINC000151129186 495748172 /nfs/dbraw/zinc/74/81/72/495748172.db2.gz JMIVZGVGFVTKHF-INIZCTEOSA-N 2 0 363.933 3.266 20 0 FGADRP Clc1ccccc1OCC[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000173950825 495758949 /nfs/dbraw/zinc/75/89/49/495758949.db2.gz XTLNIPYYKMOPRN-UHFFFAOYSA-N 2 0 352.906 3.296 20 0 FGADRP COc1ncc(C[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1Cl ZINC000574563296 505802536 /nfs/dbraw/zinc/80/25/36/505802536.db2.gz YHSDNEULBJPVEJ-QFBILLFUSA-N 2 0 359.857 3.089 20 0 FGADRP C[C@@H](NC(=O)NCCC[NH2+]C1CCCCC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182954966 495772989 /nfs/dbraw/zinc/77/29/89/495772989.db2.gz JTTVTXHLCZYAPT-QZTJIDSGSA-N 2 0 364.578 3.251 20 0 FGADRP Clc1cccc(-c2noc(CC[NH+]3CCC([C@@H]4CCC[NH2+]4)CC3)n2)c1 ZINC000580634397 505802669 /nfs/dbraw/zinc/80/26/69/505802669.db2.gz GXOHEJFZNCQJQW-KRWDZBQOSA-N 2 0 360.889 3.397 20 0 FGADRP c1nn(-c2ccccc2)cc1C[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000182957353 495774212 /nfs/dbraw/zinc/77/42/12/495774212.db2.gz FRRFNZYIFQQPNC-UHFFFAOYSA-N 2 0 368.525 3.197 20 0 FGADRP CC[C@H](C)c1ccccc1NC(=O)[C@H](C)[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000182962236 495777457 /nfs/dbraw/zinc/77/74/57/495777457.db2.gz VBBPVPWFSVSGAE-OALUTQOASA-N 2 0 374.573 3.096 20 0 FGADRP c1ccc(-c2nnc(C[NH+]3CCC(CCC[NH+]4CCOCC4)CC3)o2)cc1 ZINC000182968460 495779911 /nfs/dbraw/zinc/77/99/11/495779911.db2.gz MTUMGEARARPCDJ-UHFFFAOYSA-N 2 0 370.497 3.061 20 0 FGADRP O=C(CC[NH+]1CCC(CCC[NH+]2CCOCC2)CC1)c1ccc(F)cc1 ZINC000182977096 495781944 /nfs/dbraw/zinc/78/19/44/495781944.db2.gz WEBDYGLUILBLIQ-UHFFFAOYSA-N 2 0 362.489 3.223 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1cccc(C)c1F ZINC000179939849 495792462 /nfs/dbraw/zinc/79/24/62/495792462.db2.gz GRWVBUOANRKQPW-MRXNPFEDSA-N 2 0 350.482 3.014 20 0 FGADRP C[C@H]1C[NH+](CC2CC[NH+](Cc3ccc(-n4cccn4)cc3)CC2)C[C@H](C)O1 ZINC000171303651 495812401 /nfs/dbraw/zinc/81/24/01/495812401.db2.gz JUSINGJLQRPJSB-OALUTQOASA-N 2 0 368.525 3.194 20 0 FGADRP Cc1nn(C)c(C)c1CC[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000183127123 495845546 /nfs/dbraw/zinc/84/55/46/495845546.db2.gz CKEXFZUTTFGBBO-ACIOBRDBSA-N 2 0 366.553 3.470 20 0 FGADRP NC(=O)Nc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cc1 ZINC000180106736 495861375 /nfs/dbraw/zinc/86/13/75/495861375.db2.gz RTEBYFURQRTKST-SEJPIABJSA-N 2 0 364.493 3.462 20 0 FGADRP COc1cc2c(cc1OC)[C@@H]([NH2+]CC1(SC)CC[NH+](C)CC1)CC2 ZINC000568920578 505808455 /nfs/dbraw/zinc/80/84/55/505808455.db2.gz KHWVQJAQMAAHPA-INIZCTEOSA-N 2 0 350.528 3.108 20 0 FGADRP COC1CC[NH+](C2(CNC(=O)CC[C@H]([NH3+])c3ccccc3)CCCC2)CC1 ZINC000571759421 505809066 /nfs/dbraw/zinc/80/90/66/505809066.db2.gz PMPFONJDMLEBQE-FQEVSTJZSA-N 2 0 373.541 3.006 20 0 FGADRP O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000171575799 495932339 /nfs/dbraw/zinc/93/23/39/495932339.db2.gz JIEGNIDOWMDFSR-SFTDATJTSA-N 2 0 370.541 3.093 20 0 FGADRP CC[NH+]1CCN(CCCC[NH2+][C@@H](c2ccccc2)c2ccc(F)cn2)CC1 ZINC000183351918 495942776 /nfs/dbraw/zinc/94/27/76/495942776.db2.gz PRSCXPDPSQKKKM-QFIPXVFZSA-N 2 0 370.516 3.317 20 0 FGADRP C[C@@H](CCNC(=O)c1cccc(C[NH+](C)C)c1)[N@H+](C)Cc1ccccc1 ZINC000174413725 495948829 /nfs/dbraw/zinc/94/88/29/495948829.db2.gz PNKWYRULVBEKNI-SFHVURJKSA-N 2 0 353.510 3.389 20 0 FGADRP CC(=O)Nc1cccc(C[NH2+][C@@H](C)c2ccc(OCC[NH+](C)C)cc2)c1 ZINC000155419506 495951628 /nfs/dbraw/zinc/95/16/28/495951628.db2.gz UZBVBQOIMYDGEI-INIZCTEOSA-N 2 0 355.482 3.436 20 0 FGADRP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC000155466687 495965407 /nfs/dbraw/zinc/96/54/07/495965407.db2.gz FOIMJCONBPGDNS-QGZVFWFLSA-N 2 0 366.509 3.099 20 0 FGADRP CC(C)n1cc([C@H](C)[NH2+]CCCN2CC[NH+](Cc3ccccc3)CC2)cn1 ZINC000151914534 495990432 /nfs/dbraw/zinc/99/04/32/495990432.db2.gz VIDGFZBNWPTHRH-FQEVSTJZSA-N 2 0 369.557 3.323 20 0 FGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@H](C)c2ccc(Br)cc2)CC1 ZINC000177294749 496008954 /nfs/dbraw/zinc/00/89/54/496008954.db2.gz SYWXWEIJANGPAZ-JKSUJKDBSA-N 2 0 368.363 3.373 20 0 FGADRP C[C@H]1C[C@H](NC(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)CC[NH2+]1 ZINC000580703970 505818873 /nfs/dbraw/zinc/81/88/73/505818873.db2.gz YEYGBSFAGMXHIH-FXAWDEMLSA-N 2 0 358.530 3.002 20 0 FGADRP CC[NH+](CC)Cc1ccc(CNC(=O)N2CC[C@@H]([NH+](CC)CC)C2)cc1 ZINC000174634344 496041087 /nfs/dbraw/zinc/04/10/87/496041087.db2.gz WBSCXHYQKGEXNP-HXUWFJFHSA-N 2 0 360.546 3.154 20 0 FGADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@H]1CCc2c1cccc2Br ZINC000186582280 496055906 /nfs/dbraw/zinc/05/59/06/496055906.db2.gz PKDCWDCCMAVWDO-KDOFPFPSSA-N 2 0 366.347 3.052 20 0 FGADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1ccc(Br)s1 ZINC000186596255 496065090 /nfs/dbraw/zinc/06/50/90/496065090.db2.gz IPLHMCOAGBGECX-OLZOCXBDSA-N 2 0 360.365 3.187 20 0 FGADRP C[C@@H]([NH2+][C@@H](C)CCN1CC[NH+](C)CC1)c1ccccc1Br ZINC000186601308 496066914 /nfs/dbraw/zinc/06/69/14/496066914.db2.gz CWSSSWJPDSAOGA-LSDHHAIUSA-N 2 0 354.336 3.126 20 0 FGADRP CC(=O)Nc1cccc(C[NH+]2CCC(CC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)c1 ZINC000177510753 496092203 /nfs/dbraw/zinc/09/22/03/496092203.db2.gz AOQSZVQMPKUTKG-QZTJIDSGSA-N 2 0 373.541 3.356 20 0 FGADRP O=C(C[N@H+]1C[C@@H]2CCCC[C@@H]2C1)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000177521226 496096197 /nfs/dbraw/zinc/09/61/97/496096197.db2.gz HRHQJUIYSRSLRQ-KDURUIRLSA-N 2 0 373.566 3.296 20 0 FGADRP C[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CCCCc4ccccc43)cn2)CC1 ZINC000174851513 496134687 /nfs/dbraw/zinc/13/46/87/496134687.db2.gz JFYZJEONLYHNQO-OAQYLSRUSA-N 2 0 350.510 3.391 20 0 FGADRP C[NH+](C)[C@@H](CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)c1ccc(F)cc1 ZINC000177684283 496159222 /nfs/dbraw/zinc/15/92/22/496159222.db2.gz SIVQNMMYAXQKNB-PXNSSMCTSA-N 2 0 361.505 3.199 20 0 FGADRP CCC[N@H+](C)C[C@@H]1CCN([C@@H](C)C(=O)Nc2cccc3ncccc32)C1 ZINC000174943039 496173976 /nfs/dbraw/zinc/17/39/76/496173976.db2.gz FYBQTYSZCNGQKR-IRXDYDNUSA-N 2 0 354.498 3.226 20 0 FGADRP Cc1nn(C)cc1[C@@H](C)[NH2+]Cc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000177751455 496182246 /nfs/dbraw/zinc/18/22/46/496182246.db2.gz SJXLYBDFYUEXAL-IXDOHACOSA-N 2 0 356.514 3.189 20 0 FGADRP CC(C)N1CCC[C@@H]([NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H](C)C2)C1=O ZINC000174993525 496198903 /nfs/dbraw/zinc/19/89/03/496198903.db2.gz LFTACOGCGRXCOS-GHTZIAJQSA-N 2 0 357.542 3.408 20 0 FGADRP C[C@H](c1ccc(Br)cc1)[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000180945929 496212444 /nfs/dbraw/zinc/21/24/44/496212444.db2.gz RWFBOSBHSRYXKG-OAHLLOKOSA-N 2 0 368.363 3.468 20 0 FGADRP C[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)c1ccc2c(c1)CCC2 ZINC000177826260 496213068 /nfs/dbraw/zinc/21/30/68/496213068.db2.gz YQXYUUWLZYBJPA-KRWDZBQOSA-N 2 0 350.510 3.173 20 0 FGADRP CC[NH+](CC)Cc1ccccc1CNC(=O)N1CC[C@H](C[N@@H+](C)CC)C1 ZINC000177846133 496220816 /nfs/dbraw/zinc/22/08/16/496220816.db2.gz AUONMSJTFLYZBF-GOSISDBHSA-N 2 0 360.546 3.012 20 0 FGADRP CC1CC[NH+](C2CCC(NC(=O)N(C)C[C@@H]3CCC[N@H+](C)C3)CC2)CC1 ZINC000152766892 496249988 /nfs/dbraw/zinc/24/99/88/496249988.db2.gz YTUKFUSILALYTP-XEVCZEQESA-N 2 0 364.578 3.013 20 0 FGADRP CC(C)[N@H+](C)Cc1cccc(C[NH2+][C@@H](C)c2ccc(-n3cnnn3)cc2)c1 ZINC000177979746 496275009 /nfs/dbraw/zinc/27/50/09/496275009.db2.gz NOJPVOLDZGJGCE-KRWDZBQOSA-N 2 0 364.497 3.353 20 0 FGADRP CC(C)[NH+]1CCC(NC(=O)NCC[C@H](C)[N@H+](C)Cc2ccccc2)CC1 ZINC000175173386 496277207 /nfs/dbraw/zinc/27/72/07/496277207.db2.gz YGHAIYIKCIRNQH-SFHVURJKSA-N 2 0 360.546 3.069 20 0 FGADRP Cc1ccccc1NC(=O)C[C@@H](C)[NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000178034327 496297722 /nfs/dbraw/zinc/29/77/22/496297722.db2.gz CELDILCCWVKBCH-QRVBRYPASA-N 2 0 361.530 3.191 20 0 FGADRP C[NH+]1CCN(CCC[NH2+][C@@H]2CCCc3nc(-c4ccccc4)sc32)CC1 ZINC000162494847 496361333 /nfs/dbraw/zinc/36/13/33/496361333.db2.gz BOHQAJGHJQAXBP-GOSISDBHSA-N 2 0 370.566 3.415 20 0 FGADRP CC1CC[NH+](CCNC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000175374483 496362711 /nfs/dbraw/zinc/36/27/11/496362711.db2.gz QDZDBYYKBYQCGA-CTNGQTDRSA-N 2 0 372.557 3.071 20 0 FGADRP C[C@H]([NH2+]CCCN1CC[NH+](C)CC1)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000162526544 496368212 /nfs/dbraw/zinc/36/82/12/496368212.db2.gz XXGGMSDVUVIXRV-GJZGRUSLSA-N 2 0 374.356 3.376 20 0 FGADRP C[C@H]([NH2+]Cc1ccc2c(c1)OCCO2)c1ccc(OCC[NH+](C)C)cc1 ZINC000178208435 496370010 /nfs/dbraw/zinc/37/00/10/496370010.db2.gz XTGHGGYICXQSJX-INIZCTEOSA-N 2 0 356.466 3.249 20 0 FGADRP C[C@@H]([NH2+]Cc1cccc(OCC[NH+](C)C)c1)c1ccc([S@](C)=O)cc1 ZINC000162572631 496375597 /nfs/dbraw/zinc/37/55/97/496375597.db2.gz LDMGCMJSWIKJCN-PUAOIOHZSA-N 2 0 360.523 3.215 20 0 FGADRP CC[NH+]1CCC([NH2+]C[C@@H](O)Cn2c3ccccc3c3ccccc32)CC1 ZINC000578006845 505840246 /nfs/dbraw/zinc/84/02/46/505840246.db2.gz VKSJXTSCOGCFKV-GOSISDBHSA-N 2 0 351.494 3.229 20 0 FGADRP CCc1ccc([C@H](C)NCc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)o1 ZINC000156976009 496377627 /nfs/dbraw/zinc/37/76/27/496377627.db2.gz DIAYOJOJEGRFMR-LPHOPBHVSA-N 2 0 369.509 3.390 20 0 FGADRP Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+]Cc1cccnc1N1CC[NH+](C)CC1 ZINC000153264593 496402293 /nfs/dbraw/zinc/40/22/93/496402293.db2.gz NXOKVMFYHAAQRB-XLIONFOSSA-N 2 0 350.510 3.480 20 0 FGADRP CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+]CC[C@@H](C)[NH+]2CCCCC2)cc1 ZINC000184497277 496412292 /nfs/dbraw/zinc/41/22/92/496412292.db2.gz ABQDKFDMCWFALK-IAGOWNOFSA-N 2 0 367.559 3.363 20 0 FGADRP COc1ccccc1[C@H](C)NC(=O)[C@@H](C)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157166652 496419960 /nfs/dbraw/zinc/41/99/60/496419960.db2.gz KGFLXBHJZDNLTP-OTWHNJEPSA-N 2 0 373.541 3.211 20 0 FGADRP C[C@@H]1C[NH+](CCCC[NH2+]C2CC[NH+](C3CCCCC3)CC2)C[C@@H](C)O1 ZINC000162842692 496421694 /nfs/dbraw/zinc/42/16/94/496421694.db2.gz AVSMQNSHGPBMGU-RTBURBONSA-N 3 0 351.579 3.263 20 0 FGADRP COc1ccc(C[C@H](C)C[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)cc1F ZINC000187403449 496426990 /nfs/dbraw/zinc/42/69/90/496426990.db2.gz SKIWHUGTEWPSCU-FUHWJXTLSA-N 2 0 364.505 3.103 20 0 FGADRP C[C@@H]1CCC[C@](CNC(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)([NH+](C)C)C1 ZINC000157364061 496463800 /nfs/dbraw/zinc/46/38/00/496463800.db2.gz VSIVZWULTLMEGU-DYXWJJEUSA-N 2 0 364.578 3.157 20 0 FGADRP CC[NH+](CC)[C@H]1CCN(C(=O)NCC[C@H](C)[N@H+](C)Cc2ccccc2)C1 ZINC000175632564 496473389 /nfs/dbraw/zinc/47/33/89/496473389.db2.gz WLMYGMWRUGDVRR-ICSRJNTNSA-N 2 0 360.546 3.023 20 0 FGADRP CC(C)N(CC[NH+](C)C)C(=O)NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000157455941 496479885 /nfs/dbraw/zinc/47/98/85/496479885.db2.gz HUXCRBHOOCQDMA-LJQANCHMSA-N 2 0 374.573 3.400 20 0 FGADRP c1sc(-c2ccc3c(c2)OCO3)nc1C[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000578047308 505849440 /nfs/dbraw/zinc/84/94/40/505849440.db2.gz RZZNZLHSUHBEST-JKSUJKDBSA-N 2 0 357.479 3.017 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)[C@@H](C[NH3+])c1ccccc1 ZINC000178690368 496541941 /nfs/dbraw/zinc/54/19/41/496541941.db2.gz VIQOEPZTUYJIFZ-GCJKJVERSA-N 2 0 365.521 3.420 20 0 FGADRP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCN(c3ccc(Br)cc3)C2)CC[N@@H+]1C ZINC000178711813 496548575 /nfs/dbraw/zinc/54/85/75/496548575.db2.gz YXXZQEPYVSBECA-HLLBOEOZSA-N 2 0 366.347 3.348 20 0 FGADRP C[C@H](CCNC(=O)NCCCC[N@@H+]1CCCC[C@@H]1C)[NH+]1CCCCC1 ZINC000184844329 496553771 /nfs/dbraw/zinc/55/37/71/496553771.db2.gz AHFGJIALPXGYND-RBUKOAKNSA-N 2 0 352.567 3.205 20 0 FGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+][C@@H](C)c2cn(C)nc2C)CC1 ZINC000178770416 496564878 /nfs/dbraw/zinc/56/48/78/496564878.db2.gz QQVIDRDSICDDQK-CVEARBPZSA-N 2 0 373.520 3.421 20 0 FGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+][C@H](C)CCCOC)CC1 ZINC000178770685 496565715 /nfs/dbraw/zinc/56/57/15/496565715.db2.gz NYEPXGGOYJZHCL-SJORKVTESA-N 2 0 351.510 3.433 20 0 FGADRP C[C@H]([NH2+]CCCC[N@@H+]1CCCC[C@@H]1C)c1ccc(NS(C)(=O)=O)cc1 ZINC000157871274 496575282 /nfs/dbraw/zinc/57/52/82/496575282.db2.gz UQXPFHWQEXJQJQ-IRXDYDNUSA-N 2 0 367.559 3.363 20 0 FGADRP CC[NH+](CC)[C@@H]1CCN(C(=O)NCC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000175920668 496602826 /nfs/dbraw/zinc/60/28/26/496602826.db2.gz HYALSHTWMSQYIX-OAQYLSRUSA-N 2 0 372.557 3.024 20 0 FGADRP CC(=O)Nc1ccc([C@@H](C)[NH2+]Cc2ccc(OCC[NH+](C)C)cc2)cc1 ZINC000181960413 496614339 /nfs/dbraw/zinc/61/43/39/496614339.db2.gz IYOZHQLMQQMMCG-MRXNPFEDSA-N 2 0 355.482 3.436 20 0 FGADRP CC(=O)Nc1ccc([C@H](C)[NH2+]Cc2cccc(OCC[NH+](C)C)c2)cc1 ZINC000181960435 496614517 /nfs/dbraw/zinc/61/45/17/496614517.db2.gz VKVUNIZREPQPIK-INIZCTEOSA-N 2 0 355.482 3.436 20 0 FGADRP Cc1ccccc1C[NH+]1CCC(NC(=O)[C@@H]2CCCCCC[C@H]2[NH3+])CC1 ZINC000164549401 496618525 /nfs/dbraw/zinc/61/85/25/496618525.db2.gz LMKFPAKNWDYPEH-NHCUHLMSSA-N 2 0 357.542 3.373 20 0 FGADRP Cc1ccc(S(=O)(=O)C[C@H](C)[NH2+]CCCC[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000185034403 496630264 /nfs/dbraw/zinc/63/02/64/496630264.db2.gz YPAAEZGVNNHKAC-OALUTQOASA-N 2 0 366.571 3.259 20 0 FGADRP C[C@H]([NH2+]CCCC[NH+]1CCC(C)CC1)c1ccc(NS(C)(=O)=O)cc1 ZINC000158179429 496643723 /nfs/dbraw/zinc/64/37/23/496643723.db2.gz OWPGFBRKYXPUCR-KRWDZBQOSA-N 2 0 367.559 3.221 20 0 FGADRP CC(C)[NH+](CCNC(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(C)C ZINC000173326869 496644796 /nfs/dbraw/zinc/64/47/96/496644796.db2.gz UYTJVVGUARUTAV-NRFANRHFSA-N 2 0 374.573 3.269 20 0 FGADRP COC[C@@H]([NH2+]Cc1cc(C(F)(F)F)ccc1N1CC[NH+](C)CC1)C(C)C ZINC000165596070 496662681 /nfs/dbraw/zinc/66/26/81/496662681.db2.gz SLPDARKGPJKQDF-QGZVFWFLSA-N 2 0 373.463 3.218 20 0 FGADRP C[N@@H+]1CCC[C@@H](C[NH2+]C2CCN(Cc3c(F)cccc3Cl)CC2)C1 ZINC000158264244 496663003 /nfs/dbraw/zinc/66/30/03/496663003.db2.gz BGZDUGVRYMAUIR-HNNXBMFYSA-N 2 0 353.913 3.375 20 0 FGADRP COc1ccc(Cl)cc1C1(C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)CCOCC1 ZINC000154067288 496672175 /nfs/dbraw/zinc/67/21/75/496672175.db2.gz FAVWRAXRJDCPAT-NVXWUHKLSA-N 2 0 366.933 3.469 20 0 FGADRP C[C@@H](O)C[C@H]1CCC[N@@H+]1Cc1ccc(C[NH+]2CCC[C@@H]2C[C@H](C)O)cc1 ZINC000179092943 496673231 /nfs/dbraw/zinc/67/32/31/496673231.db2.gz GDQRNDUHTJCVHH-GMQQQROESA-N 2 0 360.542 3.157 20 0 FGADRP CC(C)O[C@H]1C[C@@H]([NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)C1(C)C ZINC000185220529 496707719 /nfs/dbraw/zinc/70/77/19/496707719.db2.gz IUSPGAIXYIYQAI-RTWAWAEBSA-N 2 0 360.542 3.325 20 0 FGADRP COc1ccc([C@H](C)[C@H](C)[NH2+]Cc2cccnc2N2CC[NH+](C)CC2)cc1 ZINC000158496090 496712835 /nfs/dbraw/zinc/71/28/35/496712835.db2.gz RHHVNYVFDFTZNW-MSOLQXFVSA-N 2 0 368.525 3.124 20 0 FGADRP CC(C)Oc1ccc([C@H](C)[NH2+]Cc2cccnc2N2CC[NH+](C)CC2)cc1 ZINC000158504719 496715183 /nfs/dbraw/zinc/71/51/83/496715183.db2.gz HITZKDZXFJZIDH-SFHVURJKSA-N 2 0 368.525 3.471 20 0 FGADRP Cc1cccc(OC[C@H](O)CN2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)c1 ZINC000246987249 496743574 /nfs/dbraw/zinc/74/35/74/496743574.db2.gz NZAJTBWUPWDCLF-NJDAHSKKSA-N 2 0 360.542 3.321 20 0 FGADRP CC(C)[NH+]1CCN(CCC[N@H+](C)Cc2ccccc2Br)CC1 ZINC000191390805 496746572 /nfs/dbraw/zinc/74/65/72/496746572.db2.gz KMQSJCMYRDTHMY-UHFFFAOYSA-N 2 0 368.363 3.297 20 0 FGADRP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)C1 ZINC000246997784 496747156 /nfs/dbraw/zinc/74/71/56/496747156.db2.gz KNQGLJBNYJDWHI-BRWVUGGUSA-N 2 0 364.559 3.057 20 0 FGADRP CC[NH+](CC)CCOc1ccc(C[NH2+][C@H]2C[C@@H](C)O[C@@H](C)C2)cc1OC ZINC000574838129 505864649 /nfs/dbraw/zinc/86/46/49/505864649.db2.gz LBLFZUWSDZXGSO-DZFIZOCASA-N 2 0 364.530 3.461 20 0 FGADRP CCOc1ccc(C2(C[NH2+][C@H]3CC[N@H+](CC)C[C@@H]3C)CCOCC2)cc1 ZINC000247101520 496779198 /nfs/dbraw/zinc/77/91/98/496779198.db2.gz QBEICWUFLSVNRT-RXVVDRJESA-N 2 0 360.542 3.453 20 0 FGADRP COc1ccc2c(c1)[C@H]([NH2+]C[C@H](C(C)C)N1CC[NH+](C)CC1)CCS2 ZINC000191492970 496781629 /nfs/dbraw/zinc/78/16/29/496781629.db2.gz HQNZXIHGFIIYMZ-RTBURBONSA-N 2 0 363.571 3.094 20 0 FGADRP COCCC[NH+]1CCC(N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000268800902 496790001 /nfs/dbraw/zinc/79/00/01/496790001.db2.gz ANBCPEGFHDGICX-UGKGYDQZSA-N 2 0 359.558 3.130 20 0 FGADRP COc1cc([C@H](C)[NH2+]CCCC[N@@H+]2CCC[C@H]2CO)ccc1OC(F)F ZINC000268856061 496805203 /nfs/dbraw/zinc/80/52/03/496805203.db2.gz CWSKMYZFACVYML-HOCLYGCPSA-N 2 0 372.456 3.184 20 0 FGADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCC1([NH+]2CCCC2)CCOCC1 ZINC000268872339 496810271 /nfs/dbraw/zinc/81/02/71/496810271.db2.gz KSNYIKBDHIEFSL-RBBKRZOGSA-N 2 0 371.569 3.132 20 0 FGADRP Cc1nc2c(s1)[C@@H]([N@@H+](C)CCCN1CC[NH+](C(C)C)CC1)CCC2 ZINC000191573107 496818161 /nfs/dbraw/zinc/81/81/61/496818161.db2.gz BEIQOWQLXILBNP-SFHVURJKSA-N 2 0 350.576 3.177 20 0 FGADRP Cc1ccccc1C[C@H](CO)[NH2+][C@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000191574914 496818709 /nfs/dbraw/zinc/81/87/09/496818709.db2.gz RPRFUHHTOGGPCY-WIYYLYMNSA-N 2 0 356.510 3.190 20 0 FGADRP Cc1nc(Cc2ccccc2)sc1[C@H](C)[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000268950332 496832028 /nfs/dbraw/zinc/83/20/28/496832028.db2.gz CGBWOILZVTYICS-HNNXBMFYSA-N 2 0 359.539 3.150 20 0 FGADRP CCN(CCC[NH+](C)C)C(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000188586229 496842239 /nfs/dbraw/zinc/84/22/39/496842239.db2.gz BGNMIXSGHBVTGH-LJQANCHMSA-N 2 0 374.573 3.402 20 0 FGADRP CC[NH+]1CCC(CNC(=O)N2CCC[N@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000569176270 505869499 /nfs/dbraw/zinc/86/94/99/505869499.db2.gz LXQWRXXMRGXKIB-IBGZPJMESA-N 2 0 372.557 3.024 20 0 FGADRP OCC[NH+]1CCC(C[NH2+][C@@H](Cc2ccccc2F)c2ccccc2)CC1 ZINC000191725869 496869350 /nfs/dbraw/zinc/86/93/50/496869350.db2.gz IWWCKWFBUZCHNP-QFIPXVFZSA-N 2 0 356.485 3.403 20 0 FGADRP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)[C@@H](C)[C@H]([NH3+])c1ccccc1 ZINC000269243215 496903841 /nfs/dbraw/zinc/90/38/41/496903841.db2.gz CHUWGXSEMLGQDU-UWJYYQICSA-N 2 0 366.509 3.021 20 0 FGADRP Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)C1CC[NH+](C2CC2)CC1 ZINC000195394388 496910355 /nfs/dbraw/zinc/91/03/55/496910355.db2.gz IQOZZNRVTUBSTI-UHFFFAOYSA-N 2 0 373.566 3.357 20 0 FGADRP C[C@H]([NH3+])C1CCN(C(=O)NCc2ccccc2C[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000580941375 505873197 /nfs/dbraw/zinc/87/31/97/505873197.db2.gz FMGZDZVAAYKUEU-ROUUACIJSA-N 2 0 372.557 3.187 20 0 FGADRP Cc1ccccc1C[NH+]1CCC(NC(=O)C[NH2+][C@H]2CCCC2(C)C)CC1 ZINC000191868520 496914984 /nfs/dbraw/zinc/91/49/84/496914984.db2.gz QKWRHQHCMYPOIS-FQEVSTJZSA-N 2 0 357.542 3.244 20 0 FGADRP C[C@@H](CC(=O)N(CC[NH+](C)C)Cc1cccc(Cl)c1)[C@@H]1CCC[NH2+]C1 ZINC000574875318 505873533 /nfs/dbraw/zinc/87/35/33/505873533.db2.gz XUXUYUKMPSXWOA-FUHWJXTLSA-N 2 0 365.949 3.256 20 0 FGADRP C[N@@H+]1CC[C@H](NC(=O)N2CCC[NH+](C3CCCC3)CC2)[C@H]1c1ccccc1 ZINC000248035656 496944782 /nfs/dbraw/zinc/94/47/82/496944782.db2.gz LCPSMYLBQVKGAY-LEWJYISDSA-N 2 0 370.541 3.092 20 0 FGADRP CCc1ccc(C[NH+]2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)s1 ZINC000572047328 505876962 /nfs/dbraw/zinc/87/69/62/505876962.db2.gz BUOYNNRNCULVHQ-UHFFFAOYSA-N 2 0 363.571 3.125 20 0 FGADRP C[NH+]1CCN(c2cc(C[NH2+][C@H]3CC[C@H](Cc4ccccc4)C3)ccn2)CC1 ZINC000189046810 496990370 /nfs/dbraw/zinc/99/03/70/496990370.db2.gz GGVKYSMJOSSYSE-IRLDBZIGSA-N 2 0 364.537 3.334 20 0 FGADRP C[C@H](NC(=O)N1CCCC[C@H]1c1ncc[nH]1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248389612 496990730 /nfs/dbraw/zinc/99/07/30/496990730.db2.gz AWDKDRTZMVSZFZ-JZXOWHBKSA-N 2 0 359.518 3.299 20 0 FGADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N[C@@H](C)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000248393902 496993062 /nfs/dbraw/zinc/99/30/62/496993062.db2.gz FEPDYGVGYXKXEY-YDZRNGNQSA-N 2 0 364.578 3.059 20 0 FGADRP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1CO)c1ccc2c(c1)OCO2 ZINC000248440802 497012822 /nfs/dbraw/zinc/01/28/22/497012822.db2.gz JTCCLLIKXOMJLO-JXFKEZNVSA-N 2 0 368.477 3.223 20 0 FGADRP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1ccc(F)cc1N(C)C ZINC000248450441 497014882 /nfs/dbraw/zinc/01/48/82/497014882.db2.gz PAFQSMGGCYFXGK-OXJNMPFZSA-N 2 0 371.500 3.309 20 0 FGADRP C[NH+](C)CCN1CCC([NH2+]Cc2ccc(Br)c(Cl)c2)CC1 ZINC000192165723 497021135 /nfs/dbraw/zinc/02/11/35/497021135.db2.gz PTLLRGAXLSRFJS-UHFFFAOYSA-N 2 0 374.754 3.218 20 0 FGADRP COc1cccc2c1CC[C@H]([NH2+]Cc1cccc(OCC[NH+](C)C)c1)C2 ZINC000192439518 497114790 /nfs/dbraw/zinc/11/47/90/497114790.db2.gz IWUUQSSLYBVXRE-IBGZPJMESA-N 2 0 354.494 3.283 20 0 FGADRP C[C@H]([NH2+]CCOCC(F)(F)C(F)F)c1ccc(OCC[NH+](C)C)cc1 ZINC000278457008 497121146 /nfs/dbraw/zinc/12/11/46/497121146.db2.gz MDTRRFKXTQGDIM-ZDUSSCGKSA-N 2 0 366.399 3.195 20 0 FGADRP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)c1cc(Cl)c(N)c(Cl)c1 ZINC000270414764 497122781 /nfs/dbraw/zinc/12/27/81/497122781.db2.gz CVFKPYUJDXQPDA-OCCSQVGLSA-N 2 0 360.329 3.463 20 0 FGADRP CC1CC[NH+](Cc2ccc(CNC(=O)CCC3CC[NH2+]CC3)cc2)CC1 ZINC000236633688 497124189 /nfs/dbraw/zinc/12/41/89/497124189.db2.gz KTJQGOQZKVQGTM-UHFFFAOYSA-N 2 0 357.542 3.315 20 0 FGADRP C[N@@H+]1CC[C@H](NC(=O)N2CCC([NH+]3CCCCC3)CC2)[C@@H]1c1ccccc1 ZINC000270516060 497143335 /nfs/dbraw/zinc/14/33/35/497143335.db2.gz MDXAFKJQFSLABW-SFTDATJTSA-N 2 0 370.541 3.092 20 0 FGADRP C[C@H]([NH2+]CC1CC[NH+](C2CC2)CC1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000278530360 497144931 /nfs/dbraw/zinc/14/49/31/497144931.db2.gz UBFZIQCXKVYAHH-HNNXBMFYSA-N 2 0 356.514 3.496 20 0 FGADRP CC[C@@H]1CCC[C@@H]([NH2+]Cc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)C1 ZINC000236965663 497173463 /nfs/dbraw/zinc/17/34/63/497173463.db2.gz NVEJXEXHNNQQCV-DUXKGJEZSA-N 2 0 357.542 3.442 20 0 FGADRP COc1ccccc1[C@@H](CNC(=O)CCC1CC[NH2+]CC1)[NH+]1CCCCC1 ZINC000237197951 497203498 /nfs/dbraw/zinc/20/34/98/497203498.db2.gz SHMIKETXGVHIBT-HXUWFJFHSA-N 2 0 373.541 3.118 20 0 FGADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CC[C@H](c3c(F)cccc3F)C2)CC1 ZINC000192801454 497217991 /nfs/dbraw/zinc/21/79/91/497217991.db2.gz AMKAUZJQUNLJLN-KRWDZBQOSA-N 2 0 351.485 3.170 20 0 FGADRP Cc1ccccc1C[NH+]1CCC(NC(=O)C[C@H](C)[C@H]2CCC[NH2+]C2)CC1 ZINC000237400773 497230832 /nfs/dbraw/zinc/23/08/32/497230832.db2.gz OTOWIBJWGYMCCI-OALUTQOASA-N 2 0 357.542 3.101 20 0 FGADRP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@@H](C[NH3+])c2ccccc2)CC1 ZINC000237408477 497232200 /nfs/dbraw/zinc/23/22/00/497232200.db2.gz KNCKFUWNYRYFTD-UTKZUKDTSA-N 2 0 351.494 3.071 20 0 FGADRP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)[C@@H]([NH3+])c2ccccc2)C1 ZINC000237468069 497241431 /nfs/dbraw/zinc/24/14/31/497241431.db2.gz DRRZGSFNKLBULT-HMFYCAOWSA-N 2 0 365.521 3.481 20 0 FGADRP Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000237591863 497260036 /nfs/dbraw/zinc/26/00/36/497260036.db2.gz FRKOFLUZROJZAM-VDGAXYAQSA-N 2 0 373.566 3.403 20 0 FGADRP O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1CCC[NH+]1Cc1ccccc1 ZINC000250639315 497267650 /nfs/dbraw/zinc/26/76/50/497267650.db2.gz CKIUYNFUQPOWFU-FGZHOGPDSA-N 2 0 363.505 3.042 20 0 FGADRP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)NCCC[N@@H+]2CCCC[C@H]2C)C1 ZINC000251580276 497277935 /nfs/dbraw/zinc/27/79/35/497277935.db2.gz AZLOXXRWVKJCIN-VAMGGRTRSA-N 2 0 366.594 3.308 20 0 FGADRP O=C(NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000237973373 497321519 /nfs/dbraw/zinc/32/15/19/497321519.db2.gz JJGKGOVOHFWPNB-SJNJHYDESA-N 2 0 367.537 3.219 20 0 FGADRP [NH3+]C[C@@H](C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1)c1ccccc1 ZINC000238031319 497330738 /nfs/dbraw/zinc/33/07/38/497330738.db2.gz GRUORNOATDBNMR-JOCHJYFZSA-N 2 0 365.521 3.421 20 0 FGADRP C[C@@H](C(=O)N(C)C[C@H]1CC[NH+](Cc2ccccc2)C1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000253547382 497338787 /nfs/dbraw/zinc/33/87/87/497338787.db2.gz UMWASCCGQSOVJE-YOUFYPILSA-N 2 0 357.542 3.228 20 0 FGADRP Cc1ccc(-c2cccnc2)cc1NC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000578280305 505903430 /nfs/dbraw/zinc/90/34/30/505903430.db2.gz DYXQPAZLFGKYCN-UHFFFAOYSA-N 2 0 369.513 3.014 20 0 FGADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)NCC[C@H](C)[NH+](C)Cc2ccccc2)C1 ZINC000245426030 497399693 /nfs/dbraw/zinc/39/96/93/497399693.db2.gz FMFXOIGJDIRYQY-PZJWPPBQSA-N 2 0 374.573 3.317 20 0 FGADRP C[C@@H](CCNC(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1)[NH+](C)Cc1ccccc1 ZINC000245428110 497400307 /nfs/dbraw/zinc/40/03/07/497400307.db2.gz IIXLNEVKIQAZAU-NSHGMRRFSA-N 2 0 360.546 3.021 20 0 FGADRP c1c[nH]c(C2CC[NH+](CCCCC[NH+]3CCC(c4ncc[nH]4)CC3)CC2)n1 ZINC000266725304 497406239 /nfs/dbraw/zinc/40/62/39/497406239.db2.gz IJRZNUBDDARMPS-UHFFFAOYSA-N 2 0 370.545 3.362 20 0 FGADRP CCC[N@H+](C)C[C@H]1CCN([C@H](C)C(=O)NC23CC4CC(CC(C4)C2)C3)C1 ZINC000245440542 497408356 /nfs/dbraw/zinc/40/83/56/497408356.db2.gz UPWWCINFVRNZQK-QNUOKEPZSA-N 2 0 361.574 3.124 20 0 FGADRP C[NH+](C)CCc1ccccc1NC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000275727434 497415380 /nfs/dbraw/zinc/41/53/80/497415380.db2.gz WTINMVYRFDIFGB-HXUWFJFHSA-N 2 0 354.498 3.215 20 0 FGADRP C[C@H]1CC[N@H+](Cc2cn(C3CCCC3)nc2-c2ccccn2)C[C@H]1C[NH3+] ZINC000575021398 505906187 /nfs/dbraw/zinc/90/61/87/505906187.db2.gz CHXODYVNGLCXMF-DLBZAZTESA-N 2 0 353.514 3.477 20 0 FGADRP Clc1ccc(OCCN2CC[C@H]3C[NH2+]C[C@@H]3C2)c(Br)c1 ZINC000261672335 497431390 /nfs/dbraw/zinc/43/13/90/497431390.db2.gz GAOVXWRQSKGACO-NWDGAFQWSA-N 2 0 359.695 3.023 20 0 FGADRP C[C@]1(C[NH+]2CCC(Oc3cccc(Br)c3)CC2)CC[NH2+]C1 ZINC000261697515 497435342 /nfs/dbraw/zinc/43/53/42/497435342.db2.gz CDEHAZCBDSLPJX-KRWDZBQOSA-N 2 0 353.304 3.292 20 0 FGADRP C[N@H+](Cc1ccccc1)C1(CNC(=O)[C@H]2CCCc3nc[nH]c32)CCC1 ZINC000569321451 505907196 /nfs/dbraw/zinc/90/71/96/505907196.db2.gz ULUKEAZQRHQQBY-KRWDZBQOSA-N 2 0 352.482 3.001 20 0 FGADRP C[C@H]1C[C@@H](C(=O)Nc2ccc(N3CCC(C[NH+](C)C)CC3)cc2)CC[N@@H+]1C ZINC000279453716 497442975 /nfs/dbraw/zinc/44/29/75/497442975.db2.gz OGUIORHYNPFOME-HKUYNNGSSA-N 2 0 372.557 3.133 20 0 FGADRP CCOc1cc(C[NH2+]CC2=CC[N@H+](C)CC2)cc(Br)c1OC ZINC000271775134 497445866 /nfs/dbraw/zinc/44/58/66/497445866.db2.gz CIDRLNRIIJHQPQ-UHFFFAOYSA-N 2 0 369.303 3.208 20 0 FGADRP COc1cc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc(Br)c1O ZINC000266956641 497455853 /nfs/dbraw/zinc/45/58/53/497455853.db2.gz IRZZHRVNQHNKSG-AGUYFDCRSA-N 2 0 369.303 3.268 20 0 FGADRP Cc1ccccc1C[NH+]1CCC(NC(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000245584431 497464679 /nfs/dbraw/zinc/46/46/79/497464679.db2.gz ACWXGTISJHWHDG-RXVVDRJESA-N 2 0 372.557 3.084 20 0 FGADRP C[C@@H]1CCN(CC(=O)N(C)c2nc3ccccc3s2)C[C@H]1n1ccnc1 ZINC000245585320 497465221 /nfs/dbraw/zinc/46/52/21/497465221.db2.gz JPZMAMABNIZFMX-GDBMZVCRSA-N 2 0 369.494 3.039 20 0 FGADRP C[C@H]([NH2+]CCCN1CC[N@H+](C)C[C@H]1c1ccccc1)c1cccc(CO)c1 ZINC000245617193 497475101 /nfs/dbraw/zinc/47/51/01/497475101.db2.gz MBLYMNSVTXMTRA-CVDCTZTESA-N 2 0 367.537 3.208 20 0 FGADRP C[NH2+]CCC1CC[NH+](CCC(=O)Nc2ccc(Br)cc2)CC1 ZINC000261971296 497485164 /nfs/dbraw/zinc/48/51/64/497485164.db2.gz DEIXESBJDGUUPP-UHFFFAOYSA-N 2 0 368.319 3.099 20 0 FGADRP C[NH2+]CCC1CC[NH+]([C@@H](C)C(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)CC1 ZINC000261996043 497488894 /nfs/dbraw/zinc/48/88/94/497488894.db2.gz NSZPHMQOSOBIPE-ROUUACIJSA-N 2 0 371.569 3.453 20 0 FGADRP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)N(C)CC[C@H]1CCCC[NH+]1C ZINC000245672443 497495044 /nfs/dbraw/zinc/49/50/44/497495044.db2.gz FNDBJKQQYXMQRR-RBUKOAKNSA-N 2 0 352.567 3.157 20 0 FGADRP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+] ZINC000262363076 497545564 /nfs/dbraw/zinc/54/55/64/497545564.db2.gz VVIVRWCRAQFIJI-JEDRFMAYSA-N 2 0 369.553 3.121 20 0 FGADRP CC(C)N(CC[NH+](C)C)C(=O)N[C@H]1CCN(C)[C@H]1c1ccc(Cl)cc1 ZINC000245839216 497546974 /nfs/dbraw/zinc/54/69/74/497546974.db2.gz HNPOQOOZFOURHB-ROUUACIJSA-N 2 0 366.937 3.067 20 0 FGADRP C[C@H]1C[C@@H](C(=O)Nc2cccc(CN(C)Cc3cscn3)c2)CC[NH2+]1 ZINC000262392219 497549672 /nfs/dbraw/zinc/54/96/72/497549672.db2.gz MYLOTGMYZCCORU-HOCLYGCPSA-N 2 0 358.511 3.102 20 0 FGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@@H](C)c2cc(Br)cs2)CC1 ZINC000194025622 497551591 /nfs/dbraw/zinc/55/15/91/497551591.db2.gz ILCACSWHDJUCQQ-KBPBESRZSA-N 2 0 374.392 3.435 20 0 FGADRP CCC[N@@H+]1CC[C@H](CNC(=O)N[C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000267441528 497553309 /nfs/dbraw/zinc/55/33/09/497553309.db2.gz CJMSDOZIBBWUJZ-NRSPTQNISA-N 2 0 372.557 3.071 20 0 FGADRP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+]2CC[C@H](C)[C@@H](C)C2)CC1 ZINC000245884929 497559858 /nfs/dbraw/zinc/55/98/58/497559858.db2.gz ISBKHUHWDWPVJO-HKUYNNGSSA-N 2 0 357.542 3.054 20 0 FGADRP C[C@H]([NH2+]C1(CNC(=O)[C@H]([NH3+])Cc2ccccc2)CCCC1)c1ccccc1 ZINC000262614807 497584219 /nfs/dbraw/zinc/58/42/19/497584219.db2.gz CLWKECBCNXJQNM-GHTZIAJQSA-N 2 0 365.521 3.336 20 0 FGADRP C[C@H]([NH2+]C1(CNC(=O)[C@@H]([NH3+])Cc2ccccc2)CCCC1)c1ccccc1 ZINC000262614812 497584245 /nfs/dbraw/zinc/58/42/45/497584245.db2.gz CLWKECBCNXJQNM-RXVVDRJESA-N 2 0 365.521 3.336 20 0 FGADRP C[C@@H](C(=O)NCc1ccc(C[NH+]2CCCC2)cc1)[C@@H]([NH3+])c1ccccc1 ZINC000262627557 497586798 /nfs/dbraw/zinc/58/67/98/497586798.db2.gz COMNDICWKFMTOP-DYESRHJHSA-N 2 0 351.494 3.235 20 0 FGADRP C[C@H](NC(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21)c1cccc(-n2ccnc2)c1 ZINC000245976070 497588165 /nfs/dbraw/zinc/58/81/65/497588165.db2.gz OQXIHIAPCIJHOO-XKGZKEIXSA-N 2 0 367.497 3.059 20 0 FGADRP C[C@H](C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1)[C@H]([NH3+])c1ccccc1 ZINC000262655709 497592745 /nfs/dbraw/zinc/59/27/45/497592745.db2.gz UFPAQFYMNKXJNE-WDYCEAGBSA-N 2 0 357.523 3.337 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)C[C@H](C)[C@H]1CCC[NH2+]C1)Cc1ccccc1 ZINC000262682960 497599138 /nfs/dbraw/zinc/59/91/38/497599138.db2.gz YXWSCZMSYNEZDI-JBACZVJFSA-N 2 0 359.558 3.082 20 0 FGADRP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](C[C@@H](O)COc2ccccc2)CC1 ZINC000246050425 497604955 /nfs/dbraw/zinc/60/49/55/497604955.db2.gz PZCQKJDRLFOELN-PZJWPPBQSA-N 2 0 360.542 3.403 20 0 FGADRP O=C(Nc1cccc(C[NH+]2CCCCC2)c1)c1ccn([C@@H]2CCC[NH2+]C2)n1 ZINC000262812476 497627061 /nfs/dbraw/zinc/62/70/61/497627061.db2.gz QJOLBPQMWKEMMW-LJQANCHMSA-N 2 0 367.497 3.046 20 0 FGADRP CC(C)N(C)c1ccc(C[NH2+]Cc2ccccc2OCC[NH+](C)C)cn1 ZINC000190907289 497641029 /nfs/dbraw/zinc/64/10/29/497641029.db2.gz DCHMPVMAKJWCLX-UHFFFAOYSA-N 2 0 356.514 3.156 20 0 FGADRP C[NH+]1CCC(N2CCC([NH2+]Cc3ccc(OCC4CC4)cc3)CC2)CC1 ZINC000190911676 497643430 /nfs/dbraw/zinc/64/34/30/497643430.db2.gz CQJFIKHUPPNMIQ-UHFFFAOYSA-N 2 0 357.542 3.124 20 0 FGADRP C[C@]1(O)CCC[NH+](Cc2cccc(C[N@H+]3CCC[C@](C)(O)CC3)c2)CC1 ZINC000280088623 497645038 /nfs/dbraw/zinc/64/50/38/497645038.db2.gz OGOXFUOELVDVHI-VXKWHMMOSA-N 2 0 360.542 3.160 20 0 FGADRP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000246181301 497650795 /nfs/dbraw/zinc/65/07/95/497650795.db2.gz CFEWUFIQGMMIMZ-NNWRFLSQSA-N 2 0 371.569 3.383 20 0 FGADRP CCN(C(=O)CCC1CC[NH2+]CC1)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000262959812 497666084 /nfs/dbraw/zinc/66/60/84/497666084.db2.gz KOVGWZHAKUJVAP-NQIIRXRSSA-N 2 0 357.542 3.450 20 0 FGADRP CC(C)(C)[C@@H](C[N@@H+]1CCc2ccccc2C1)NC(=O)CCC1CC[NH2+]CC1 ZINC000262961460 497667045 /nfs/dbraw/zinc/66/70/45/497667045.db2.gz KTAZRVHQKVODQK-OAQYLSRUSA-N 2 0 371.569 3.355 20 0 FGADRP C(C[NH+]1CCCC1)OC1CC[NH+](C[C@H]2CCC3(CCCCC3)O2)CC1 ZINC000190977517 497669642 /nfs/dbraw/zinc/66/96/42/497669642.db2.gz SNXYEKASHISKBY-HXUWFJFHSA-N 2 0 350.547 3.445 20 0 FGADRP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCC(C(=O)NCc2ccc(F)cc2)CC1 ZINC000268077024 497673900 /nfs/dbraw/zinc/67/39/00/497673900.db2.gz FCVGKYUVYXRMPN-HXUWFJFHSA-N 2 0 361.505 3.028 20 0 FGADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1ccc(Br)c(Cl)c1 ZINC000276878792 497676759 /nfs/dbraw/zinc/67/67/59/497676759.db2.gz DOYUZRSQTJQOLL-CYBMUJFWSA-N 2 0 374.754 3.218 20 0 FGADRP C[C@H]([NH2+]C(C)(C)CNC(=O)N(C)[C@@H]1CC[N@H+](C)C[C@H]1C)c1ccccc1 ZINC000246274145 497679614 /nfs/dbraw/zinc/67/96/14/497679614.db2.gz JEVRMHAFOLPCCE-ZIFCJYIRSA-N 2 0 360.546 3.097 20 0 FGADRP C[C@H](C[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1)N1CCC[C@H](C)C1 ZINC000246290418 497684814 /nfs/dbraw/zinc/68/48/14/497684814.db2.gz BMOYPRVWQWVOME-VQTJNVASSA-N 2 0 372.601 3.427 20 0 FGADRP CCOc1ccc([C@H](C)NC(=O)CCC[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000246304285 497689643 /nfs/dbraw/zinc/68/96/43/497689643.db2.gz DIIFDLLYJHIVGN-LNLFQRSKSA-N 2 0 361.530 3.115 20 0 FGADRP C[C@@H](CC[NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)c1ccccc1 ZINC000194563390 497705341 /nfs/dbraw/zinc/70/53/41/497705341.db2.gz UJIZPONLRNLIBJ-SFHVURJKSA-N 2 0 353.510 3.261 20 0 FGADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](c2cccc(Cl)c2)N2CCOCC2)[C@H](C)C1 ZINC000246356905 497706364 /nfs/dbraw/zinc/70/63/64/497706364.db2.gz IDVJFLMUXRBTTC-LSTHTHJFSA-N 2 0 365.949 3.033 20 0 FGADRP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1ccc2c(c1)COC2 ZINC000272736564 497716816 /nfs/dbraw/zinc/71/68/16/497716816.db2.gz JURRQJUNMSECQB-AOMKIAJQSA-N 2 0 352.478 3.134 20 0 FGADRP C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)[C@@H]2CCCC[C@]2(C)[NH3+])C1 ZINC000263281768 497748119 /nfs/dbraw/zinc/74/81/19/497748119.db2.gz UJSBWRCTYZCJTD-AGHHOFFYSA-N 2 0 357.542 3.442 20 0 FGADRP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)C1 ZINC000246510130 497758492 /nfs/dbraw/zinc/75/84/92/497758492.db2.gz TYEGTJCSGHPTHR-VQTJNVASSA-N 2 0 364.578 3.014 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1)c1ccccc1 ZINC000246542123 497769666 /nfs/dbraw/zinc/76/96/66/497769666.db2.gz ASOILZCKVPQXTP-PWRODBHTSA-N 2 0 372.557 3.195 20 0 FGADRP CC(C)c1ccc([C@H]([NH3+])CNC(=O)N2CC[C@H]([NH+]3CCCCC3)C2)cc1 ZINC000572263223 505928944 /nfs/dbraw/zinc/92/89/44/505928944.db2.gz PRNLOMNKEAJFRX-VQTJNVASSA-N 2 0 358.530 3.080 20 0 FGADRP CN(C(=O)NC1CC[NH+](C(C)(C)C)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000268539376 497776341 /nfs/dbraw/zinc/77/63/41/497776341.db2.gz SHNYHMSWMBGONZ-HXUWFJFHSA-N 2 0 372.557 3.165 20 0 FGADRP CC[NH+](CC)CCOc1ccccc1CNC(=O)[C@@H]([NH3+])c1ccccc1C ZINC000578439584 505940035 /nfs/dbraw/zinc/94/00/35/505940035.db2.gz KGDZWBZTDBAJLW-NRFANRHFSA-N 2 0 369.509 3.032 20 0 FGADRP CN1C(=O)CCc2cc(C[NH2+]C[C@H]3CC[N@H+](C)[C@@H]3c3cccs3)ccc21 ZINC000364311393 497892082 /nfs/dbraw/zinc/89/20/82/497892082.db2.gz BLLQXOKITLVMMI-UTKZUKDTSA-N 2 0 369.534 3.440 20 0 FGADRP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+][C@@H](C[C@H]1CCOC1)c1ccc(F)cc1 ZINC000292182951 497912532 /nfs/dbraw/zinc/91/25/32/497912532.db2.gz OQHONDCBOFCBKM-QMMLZNLJSA-N 2 0 364.505 3.120 20 0 FGADRP COCCC[NH+]1CCC([NH2+][C@H](C)[C@@H](C)c2ccc(OC)c(OC)c2)CC1 ZINC000280875016 497932542 /nfs/dbraw/zinc/93/25/42/497932542.db2.gz MUYSGFRWODPZMH-IAGOWNOFSA-N 2 0 364.530 3.286 20 0 FGADRP CCc1cccc(NC(=[NH2+])NC[C@@H]2CCC[N@H+](Cc3cccnc3)C2)c1 ZINC000364393870 497935896 /nfs/dbraw/zinc/93/58/96/497935896.db2.gz UQJICVDSPYJDGG-IBGZPJMESA-N 2 0 351.498 3.492 20 0 FGADRP Cc1nn(C)c(N2CCC[N@H+](C)CC2)c1C[NH2+][C@H](C)c1cccc(C)c1 ZINC000364459056 497969426 /nfs/dbraw/zinc/96/94/26/497969426.db2.gz PXRLWOVLEDLAIW-QGZVFWFLSA-N 2 0 355.530 3.030 20 0 FGADRP Cc1noc(C2CCC([NH2+]Cc3cccc(OCC[NH+](C)C)c3)CC2)n1 ZINC000292324635 497969669 /nfs/dbraw/zinc/96/96/69/497969669.db2.gz WTWVJMDLRKYBKU-UHFFFAOYSA-N 2 0 358.486 3.134 20 0 FGADRP CN(c1ccccc1C[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)C1CC[NH+](C)CC1 ZINC000581310915 505958298 /nfs/dbraw/zinc/95/82/98/505958298.db2.gz TVDFOEGUAHPMTA-VQTJNVASSA-N 3 0 370.585 3.039 20 0 FGADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+]CCc2cccc(C(N)=O)c2)CC1 ZINC000281018320 497989155 /nfs/dbraw/zinc/98/91/55/497989155.db2.gz OEIBRWOYMZDLNZ-UHFFFAOYSA-N 2 0 365.521 3.361 20 0 FGADRP C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCC[N@@H+]2Cc2ccc(-n3ccnc3)nc2)C1 ZINC000281077384 498012026 /nfs/dbraw/zinc/01/20/26/498012026.db2.gz UFBKNOOEYUJCNG-GTAWCEEGSA-N 2 0 354.498 3.419 20 0 FGADRP Cc1oc2ccccc2c1C[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000572445041 505970720 /nfs/dbraw/zinc/97/07/20/505970720.db2.gz QFUBHSDQBOMPDK-DFNIBXOVSA-N 2 0 353.510 3.484 20 0 FGADRP CC[NH+]1CCC(C[NH2+]CCS(=O)(=O)c2ccc(C(C)(C)C)cc2)CC1 ZINC000572475868 505977755 /nfs/dbraw/zinc/97/77/55/505977755.db2.gz XMKSKRZKCRUIOV-UHFFFAOYSA-N 2 0 366.571 3.079 20 0 FGADRP C([C@@H]1CCCOC1)[NH+]1CCCC2(CCC[N@@H+](C[C@@H]3CCCOC3)C2)C1 ZINC000575611433 505983265 /nfs/dbraw/zinc/98/32/65/505983265.db2.gz DWTMWJGTHLFWTG-AHTKWCMKSA-N 2 0 350.547 3.018 20 0 FGADRP Cc1cnccc1OC1CCN(CC(=O)Nc2cc(F)ccc2F)CC1 ZINC000289415664 498137750 /nfs/dbraw/zinc/13/77/50/498137750.db2.gz PYJAWOPHBDSUQN-UHFFFAOYSA-N 2 0 361.392 3.150 20 0 FGADRP C[C@H]([NH3+])C1CCN(C(=O)NCc2ccccc2C[N@@H+]2CCCC[C@H]2C)CC1 ZINC000569675746 505990466 /nfs/dbraw/zinc/99/04/66/505990466.db2.gz TUFHCTRNXVLDDG-MSOLQXFVSA-N 2 0 372.557 3.330 20 0 FGADRP C[C@H](C(=O)N(C)CCC1CC[NH+](C2CCN(C)CC2)CC1)c1ccccc1 ZINC000364883735 498190673 /nfs/dbraw/zinc/19/06/73/498190673.db2.gz VEPYRRQLCYVDBW-IBGZPJMESA-N 2 0 371.569 3.445 20 0 FGADRP COc1c(Cl)cc(Cl)cc1C[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000289564160 498195408 /nfs/dbraw/zinc/19/54/08/498195408.db2.gz ZAZRPYZCQKJTHY-UHFFFAOYSA-N 2 0 360.329 3.071 20 0 FGADRP COc1cc2c(cc1F)CC[C@@H]2[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000281601317 498208653 /nfs/dbraw/zinc/20/86/53/498208653.db2.gz MGACJARNBYCAKU-ZCNNSNEGSA-N 2 0 362.489 3.179 20 0 FGADRP COc1cccc(OC)c1OCCCC[N@H+](C)CCCn1ccnc1C ZINC000289677232 498243456 /nfs/dbraw/zinc/24/34/56/498243456.db2.gz DKRUYNPQLDNPMG-UHFFFAOYSA-N 2 0 361.486 3.390 20 0 FGADRP CCc1cc(N2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)c2ccccc2[nH+]1 ZINC000301776346 498259107 /nfs/dbraw/zinc/25/91/07/498259107.db2.gz GROXYIAKKIPHEZ-LJQANCHMSA-N 2 0 352.526 3.404 20 0 FGADRP C[N@@H+]1CCC[C@@H](CC[NH2+]C[C@@H](O)Cn2c3ccccc3c3ccccc32)C1 ZINC000575797679 506006994 /nfs/dbraw/zinc/00/69/94/506006994.db2.gz ZSVOIOAKFQYYKA-RBUKOAKNSA-N 2 0 365.521 3.477 20 0 FGADRP CCC[NH+]1CCC(C[NH2+]C[C@H](O)CO[C@@H]2CCCc3ccccc32)CC1 ZINC000578758887 506014008 /nfs/dbraw/zinc/01/40/08/506014008.db2.gz DFKVZOSUELVTAV-RBBKRZOGSA-N 2 0 360.542 3.153 20 0 FGADRP COC[C@@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2ccc(-c3c[nH]cn3)cc2)CC1 ZINC000569781306 506014159 /nfs/dbraw/zinc/01/41/59/506014159.db2.gz DIVLBESIILQNTH-HZPDHXFCSA-N 2 0 356.470 3.152 20 0 FGADRP C[NH+](C)CCCOc1cnccc1C[NH2+][C@@H](c1cccnc1)C1CCC1 ZINC000289855595 498325104 /nfs/dbraw/zinc/32/51/04/498325104.db2.gz BMEZSGSTPHQGST-OAQYLSRUSA-N 2 0 354.498 3.438 20 0 FGADRP C[C@H]([NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1ccc(Br)nc1 ZINC000289969634 498376324 /nfs/dbraw/zinc/37/63/24/498376324.db2.gz XJFKWRVNLWFSNH-KFWWJZLASA-N 2 0 370.335 3.384 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H](N[C@@H](C)c2ccc(OC)c(O)c2)[C@@H](C)C1 ZINC000289978538 498379336 /nfs/dbraw/zinc/37/93/36/498379336.db2.gz XSCVIMFWVTXIRP-BQFCYCMXSA-N 2 0 350.503 3.188 20 0 FGADRP [NH3+][C@H]1CCC[C@H](CNC(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)C1 ZINC000575898685 506029036 /nfs/dbraw/zinc/02/90/36/506029036.db2.gz YPMDJSHWTWXCFM-SFTDATJTSA-N 2 0 372.557 3.379 20 0 FGADRP CSC1(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)CC1 ZINC000581623604 506030081 /nfs/dbraw/zinc/03/00/81/506030081.db2.gz ULQSOZAXIRQAGS-IBGZPJMESA-N 2 0 360.567 3.400 20 0 FGADRP C[C@@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)c1cc(Br)cs1 ZINC000282185406 498416080 /nfs/dbraw/zinc/41/60/80/498416080.db2.gz FYBJCODEULOGJG-GFCCVEGCSA-N 2 0 360.365 3.187 20 0 FGADRP C[N@H+](Cc1ccccc1)CC(C)(C)CN1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000362013678 498453470 /nfs/dbraw/zinc/45/34/70/498453470.db2.gz QBAUCIQFIUCSSU-HXUWFJFHSA-N 2 0 361.599 3.268 20 0 FGADRP CC[NH+](CC)Cc1ccccc1C[NH2+]C1CCC(CS(C)(=O)=O)CC1 ZINC000293702023 498461076 /nfs/dbraw/zinc/46/10/76/498461076.db2.gz LKLMPVPJIHDWJY-UHFFFAOYSA-N 2 0 366.571 3.221 20 0 FGADRP CCc1c2ccccc2oc1[C@@H](C)[NH2+][C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC000578858008 506038273 /nfs/dbraw/zinc/03/82/73/506038273.db2.gz NZZVGFNKEAVMHQ-IQVOZAENSA-N 2 0 369.509 3.293 20 0 FGADRP C[C@@H]1C[C@H]([NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)C[C@H](C)O1 ZINC000575953244 506040685 /nfs/dbraw/zinc/04/06/85/506040685.db2.gz MBLZVMJFLDAPMF-YUVXSKOASA-N 2 0 372.553 3.461 20 0 FGADRP C[C@@H]([NH2+]CC1(N2CC[NH+](C)CC2)CCCCCC1)c1cccc(CO)c1 ZINC000362235024 498478724 /nfs/dbraw/zinc/47/87/24/498478724.db2.gz JQVLQWSVOMSYCG-LJQANCHMSA-N 2 0 359.558 3.170 20 0 FGADRP CN(Cc1csc(C2CCCC2)n1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000362255193 498481837 /nfs/dbraw/zinc/48/18/37/498481837.db2.gz INZLCSCJOCQNGP-IBGZPJMESA-N 2 0 362.587 3.401 20 0 FGADRP C[C@@H]1C[N@H+](CCC[NH2+][C@@H](C[C@H]2CCOC2)c2ccc(F)cc2)CCCO1 ZINC000293793200 498490701 /nfs/dbraw/zinc/49/07/01/498490701.db2.gz UNGPLUMHQOZCCR-OPYAIIAOSA-N 2 0 364.505 3.384 20 0 FGADRP COCCC[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1ccc(F)cc1 ZINC000282448316 498517280 /nfs/dbraw/zinc/51/72/80/498517280.db2.gz UYFDDVOELLLRFR-FXAWDEMLSA-N 2 0 352.494 3.384 20 0 FGADRP COc1cccc(NC(=O)[C@@H](c2ccccc2)[NH+]2CCC(CC[NH3+])CC2)c1 ZINC000578898853 506047427 /nfs/dbraw/zinc/04/74/27/506047427.db2.gz HQSXZVHQGBOTJS-OAQYLSRUSA-N 2 0 367.493 3.436 20 0 FGADRP Cc1nn(-c2ccccn2)c(C)c1C[N@H+]1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000290363438 498524192 /nfs/dbraw/zinc/52/41/92/498524192.db2.gz GYLQFMMQMFHOAY-LJQANCHMSA-N 2 0 353.514 3.048 20 0 FGADRP CCC1(CNC(=O)N[C@H]2CC[NH2+][C@@H](C)C2)CC[NH+](Cc2ccccc2)CC1 ZINC000581716046 506051824 /nfs/dbraw/zinc/05/18/24/506051824.db2.gz YFBWDMWGSWLGQB-ICSRJNTNSA-N 2 0 372.557 3.119 20 0 FGADRP CC[C@@H]1CC[C@@H](C)[N@@H+]1CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000578921157 506051896 /nfs/dbraw/zinc/05/18/96/506051896.db2.gz LMIBHEJEMUNLNW-WIYYLYMNSA-N 2 0 357.542 3.339 20 0 FGADRP COc1ccc2c(c1)[C@@H]([NH2+]Cc1ccncc1OCCC[NH+](C)C)CC2 ZINC000290473775 498566593 /nfs/dbraw/zinc/56/65/93/498566593.db2.gz XCJIOVLZTTUNHW-FQEVSTJZSA-N 2 0 355.482 3.198 20 0 FGADRP CSC1(C[N@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)CCC1 ZINC000365653081 498580100 /nfs/dbraw/zinc/58/01/00/498580100.db2.gz YYVYCXHPFFFIAY-UHFFFAOYSA-N 2 0 353.620 3.400 20 0 FGADRP COc1cc(CN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)ccc1OCc1ccncc1 ZINC000362999462 498596490 /nfs/dbraw/zinc/59/64/90/498596490.db2.gz FKJORHXWGNQVFG-VQTJNVASSA-N 2 0 367.493 3.386 20 0 FGADRP C[C@H](C[NH2+]C[C@H](C)c1ccc(C(F)(F)F)cc1)CN1CC[NH+](C)CC1 ZINC000290556402 498596575 /nfs/dbraw/zinc/59/65/75/498596575.db2.gz ZJKYDXGVUDAOTF-CVEARBPZSA-N 2 0 357.464 3.282 20 0 FGADRP C[C@H]([NH2+]CC[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)C(C)(C)n1cncn1 ZINC000576032389 506060168 /nfs/dbraw/zinc/06/01/68/506060168.db2.gz JRXRXFJVAAPRGO-HBFSDRIKSA-N 2 0 355.530 3.292 20 0 FGADRP Cc1cc(C)n(-c2ccc(C[NH2+]C3CCN(c4cc[nH+]cc4)CC3)cn2)n1 ZINC000294160424 498607036 /nfs/dbraw/zinc/60/70/36/498607036.db2.gz IKLXHOLFVVXBBX-UHFFFAOYSA-N 2 0 362.481 3.038 20 0 FGADRP C[C@H]([NH2+]C1CCN(Cc2coc(-c3ccccc3)n2)CC1)[C@H]1CCCC[NH2+]1 ZINC000572832629 506063089 /nfs/dbraw/zinc/06/30/89/506063089.db2.gz RJEKQFCLAVPOPH-LAUBAEHRSA-N 2 0 368.525 3.426 20 0 FGADRP C[C@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)c1nccc2ccccc21 ZINC000290712316 498655690 /nfs/dbraw/zinc/65/56/90/498655690.db2.gz NZJOLAFJMUQKKP-INIZCTEOSA-N 2 0 350.466 3.421 20 0 FGADRP C[C@H](CNC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1)[N@H+](C)Cc1ccccc1 ZINC000303517340 498684687 /nfs/dbraw/zinc/68/46/87/498684687.db2.gz YHEKQZDLFMMVSL-CTNGQTDRSA-N 2 0 372.557 3.167 20 0 FGADRP c1nn(Cc2ccccc2)cc1C[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000570035762 506074237 /nfs/dbraw/zinc/07/42/37/506074237.db2.gz ROAIEBHAOIJJOY-GMAHTHKFSA-N 2 0 374.488 3.277 20 0 FGADRP COc1ccc([C@@H](Cc2ccccc2)[NH2+]CC2(O)CC[NH+](C)CC2)cc1 ZINC000290831433 498694265 /nfs/dbraw/zinc/69/42/65/498694265.db2.gz XTZNKWGBSRSUTM-OAQYLSRUSA-N 2 0 354.494 3.025 20 0 FGADRP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)NC[C@H](c2ccc(Cl)cc2)[NH+](C)C)C1 ZINC000581869606 506078983 /nfs/dbraw/zinc/07/89/83/506078983.db2.gz PAVPXIWHDKWYKV-QZTJIDSGSA-N 2 0 366.937 3.067 20 0 FGADRP CC1CC[NH+](CCc2cccc(NC(=O)N[C@@H]3CC[C@H](C[NH3+])C3)c2)CC1 ZINC000570061817 506081956 /nfs/dbraw/zinc/08/19/56/506081956.db2.gz JANIABFNAZQVOW-AZUAARDMSA-N 2 0 358.530 3.210 20 0 FGADRP CC(C)[C@@H](CNC(=O)Nc1ccc2c(c1)C[NH2+]CC2)[NH+]1CCC(C)CC1 ZINC000576131945 506084708 /nfs/dbraw/zinc/08/47/08/506084708.db2.gz WKZPYGUCYXRYNF-HXUWFJFHSA-N 2 0 358.530 3.210 20 0 FGADRP [NH3+][C@H](CCC(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000311902123 498755561 /nfs/dbraw/zinc/75/55/61/498755561.db2.gz FYJCGCUVUFWHDX-PZJWPPBQSA-N 2 0 351.494 3.105 20 0 FGADRP COc1cc(C[NH2+][C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)cc2c1OCO2 ZINC000312597024 498761287 /nfs/dbraw/zinc/76/12/87/498761287.db2.gz XRGHWPRUDFDJLI-APWZRJJASA-N 2 0 368.477 3.424 20 0 FGADRP CC1CC[NH+](CCc2cccc(NC(=O)N[C@@H]3CCCC[C@H]3[NH3+])c2)CC1 ZINC000579101410 506095076 /nfs/dbraw/zinc/09/50/76/506095076.db2.gz NYWAUOVFOYQSEJ-WOJBJXKFSA-N 2 0 358.530 3.352 20 0 FGADRP O=C(OCc1ccccc1)c1cc(C[NH+]2CCC(c3ncc[nH]3)CC2)c[nH]1 ZINC000294665218 498767324 /nfs/dbraw/zinc/76/73/24/498767324.db2.gz CIGNCGXPVIBIKE-UHFFFAOYSA-N 2 0 364.449 3.474 20 0 FGADRP CC(C)(C)OC(=O)N1CC[C@@H](CC[NH2+]C2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000298443953 498773547 /nfs/dbraw/zinc/77/35/47/498773547.db2.gz NNTZDBGQCYKRQU-QGZVFWFLSA-N 2 0 374.529 3.287 20 0 FGADRP CC(C)[N@H+](C)CC1CC[NH+](C[C@@H](C)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC000581924509 506091387 /nfs/dbraw/zinc/09/13/87/506091387.db2.gz NHJFKNORHSVWFW-QGZVFWFLSA-N 2 0 366.571 3.246 20 0 FGADRP C[C@@H](C[NH2+]C[C@H](O)COc1cc(Cl)ccc1Cl)C[NH+]1CCCC1 ZINC000320698303 498809538 /nfs/dbraw/zinc/80/95/38/498809538.db2.gz HVJRKOXHELPCKW-ZFWWWQNUSA-N 2 0 361.313 3.055 20 0 FGADRP C[C@@H]1CN(Cc2ccccc2NC(=O)[C@@H]2CCCc3nc[nH]c32)C[C@H](C)O1 ZINC000366181476 498810664 /nfs/dbraw/zinc/81/06/64/498810664.db2.gz JHTFHJWRBGYSTJ-HLLBOEOZSA-N 2 0 368.481 3.078 20 0 FGADRP CC(C)[NH+]1CCN(CCC[NH2+][C@H](C)c2ncc(-c3ccccc3)o2)CC1 ZINC000283199600 498814535 /nfs/dbraw/zinc/81/45/35/498814535.db2.gz GJESPZNERFSVQA-GOSISDBHSA-N 2 0 356.514 3.408 20 0 FGADRP CC(C)(C)OC(=O)N1CCC(C[NH2+]C2CC([NH+]3CCCCC3)C2)CC1 ZINC000366271120 498851141 /nfs/dbraw/zinc/85/11/41/498851141.db2.gz PBZXJHUMLPGWFV-UHFFFAOYSA-N 2 0 351.535 3.240 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H]1CCC2(CCOCC2)[C@@H]1O ZINC000283394507 498873223 /nfs/dbraw/zinc/87/32/23/498873223.db2.gz PVULMHRBIVAHGV-RYFAJOAYSA-N 2 0 372.553 3.054 20 0 FGADRP C[C@@H]([NH2+][C@@H]1CCOC2(CCC2)C1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000294990725 498873445 /nfs/dbraw/zinc/87/34/45/498873445.db2.gz HNXPZTBXJUYBLP-SJLPKXTDSA-N 2 0 361.505 3.330 20 0 FGADRP Cc1ccccc1[C@H]([NH3+])C(=O)Nc1cccc([C@H](C)N2CCOCC2)c1 ZINC000295009461 498878704 /nfs/dbraw/zinc/87/87/04/498878704.db2.gz IUPMOWMOAGBELH-JXFKEZNVSA-N 2 0 353.466 3.027 20 0 FGADRP COc1ccc(F)cc1C[NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000291299312 498882778 /nfs/dbraw/zinc/88/27/78/498882778.db2.gz WOBUGBVOEMMYBP-UHFFFAOYSA-N 2 0 358.457 3.081 20 0 FGADRP CN1CCC([NH+]2CCC(CC[NH2+]Cc3cccc4[nH]ccc43)CC2)CC1 ZINC000363660361 498928595 /nfs/dbraw/zinc/92/85/95/498928595.db2.gz FFPLWDYAJRPXOV-UHFFFAOYSA-N 2 0 354.542 3.454 20 0 FGADRP Cc1cccc(C)c1[C@@H](C)[NH2+][C@H](C)C(=O)N1CCN(c2ccccn2)CC1 ZINC000576271308 506118267 /nfs/dbraw/zinc/11/82/67/506118267.db2.gz VJSBWOGTXXXPHS-RTBURBONSA-N 2 0 366.509 3.086 20 0 FGADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H]1CCS(=O)(=O)c2c(F)cccc21 ZINC000363748020 498972994 /nfs/dbraw/zinc/97/29/94/498972994.db2.gz RUAONBQITLRDMH-WMLDXEAASA-N 2 0 356.507 3.144 20 0 FGADRP Cc1ccc(Br)cc1NC(=O)CC[NH2+][C@@H]1CC[NH2+]CC[C@@H]1C ZINC000582056891 506123374 /nfs/dbraw/zinc/12/33/74/506123374.db2.gz ZITKQWLEGHGXMM-DZGCQCFKSA-N 2 0 368.319 3.064 20 0 FGADRP C[NH+](C)CCCOc1cnccc1C[NH2+]Cc1ccc2ncccc2c1 ZINC000288425374 499021669 /nfs/dbraw/zinc/02/16/69/499021669.db2.gz BHCWIGMCEZJVED-UHFFFAOYSA-N 2 0 350.466 3.250 20 0 FGADRP Cn1nccc1[C@@H]1CCC[C@H]([NH2+]Cc2cccc(OCC[NH+](C)C)c2)C1 ZINC000366736229 499054218 /nfs/dbraw/zinc/05/42/18/499054218.db2.gz FTXWCEFFCIDVIQ-MOPGFXCFSA-N 2 0 356.514 3.177 20 0 FGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCc2nc(-c3ccccc3)no2)[C@H](C)C1 ZINC000299471935 499069972 /nfs/dbraw/zinc/06/99/72/499069972.db2.gz YNQFLZAPDCDBAV-IEBWSBKVSA-N 2 0 372.513 3.006 20 0 FGADRP Cc1ccc([C@@H](CNC(=O)[C@H]2C[NH2+]Cc3ccccc32)[NH+]2CCCC2)cc1 ZINC000576342784 506135255 /nfs/dbraw/zinc/13/52/55/506135255.db2.gz XQKWRNRPWNCURW-FCHUYYIVSA-N 2 0 363.505 3.135 20 0 FGADRP O=S1(=O)CC[C@@H]([NH2+]CCCCC[NH+]2CCCCC2)c2cccc(F)c21 ZINC000372479756 499132848 /nfs/dbraw/zinc/13/28/48/499132848.db2.gz CKZCKSJVTHJBNL-GOSISDBHSA-N 2 0 368.518 3.290 20 0 FGADRP COCCC[C@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccc(F)cc1 ZINC000367022033 499135204 /nfs/dbraw/zinc/13/52/04/499135204.db2.gz GYTUIQOENKAHMR-FPOVZHCZSA-N 2 0 363.521 3.052 20 0 FGADRP C[C@H]([NH2+]C[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1)c1ccc(S(C)(=O)=O)cc1 ZINC000369852759 499139564 /nfs/dbraw/zinc/13/95/64/499139564.db2.gz OMYZBEQLDZHEEJ-LDQXTDLNSA-N 2 0 372.534 3.434 20 0 FGADRP C[C@@H]1C[C@@H](N(C)C(=O)NC[C@H]2CCC[NH+](Cc3ccccc3)C2)CC[N@@H+]1C ZINC000369872922 499143086 /nfs/dbraw/zinc/14/30/86/499143086.db2.gz QLJDZNUEYXFYTQ-NRSPTQNISA-N 2 0 372.557 3.023 20 0 FGADRP C[NH+]1CCN(C[C@H]2CCC[N@H+](CCCOc3cccc(Cl)c3)C2)CC1 ZINC000367110434 499150249 /nfs/dbraw/zinc/15/02/49/499150249.db2.gz NFQOPZGETMAJTI-SFHVURJKSA-N 2 0 365.949 3.068 20 0 FGADRP CC(C)(C)[NH+]1CCC([NH2+][C@@H]2CCc3nnc(-c4ccc(F)cc4)n3C2)CC1 ZINC000369985818 499161580 /nfs/dbraw/zinc/16/15/80/499161580.db2.gz PIDJBYBYCJKMNR-GOSISDBHSA-N 2 0 371.504 3.252 20 0 FGADRP Cc1ccncc1CCC[N@@H+]1CCCN(C(=O)c2ccccc2F)CC1 ZINC000367322368 499181256 /nfs/dbraw/zinc/18/12/56/499181256.db2.gz QKTOQMYZTRVUKI-UHFFFAOYSA-N 2 0 355.457 3.310 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1cc(C)c2ncccc2c1 ZINC000579287680 506136683 /nfs/dbraw/zinc/13/66/83/506136683.db2.gz ORYRAGOKTRNTBM-NRFANRHFSA-N 2 0 354.542 3.391 20 0 FGADRP CN(C)C(=O)Sc1ccc(CN2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@H]3C2)cc1 ZINC000370253133 499202257 /nfs/dbraw/zinc/20/22/57/499202257.db2.gz VPDAPSAYIWWJLF-NZSAHSFTSA-N 2 0 359.539 3.376 20 0 FGADRP C[C@H](NC(=O)NC[C@H]1CC[N@H+](C)[C@H]1c1cccs1)C(C)(C)C[NH+](C)C ZINC000370300073 499207030 /nfs/dbraw/zinc/20/70/30/499207030.db2.gz HYGAPDSBOFXYBV-ZMSDIMECSA-N 2 0 366.575 3.016 20 0 FGADRP C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@@H]1[NH2+]Cc1cccc(C[NH+]2CCCC2)c1 ZINC000370577673 499233129 /nfs/dbraw/zinc/23/31/29/499233129.db2.gz KZFMAIGHTJCCIF-PTUXOGIPSA-N 2 0 371.569 3.261 20 0 FGADRP C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@@H]1[NH2+]CCc1nc(C(C)(C)C)cs1 ZINC000370632438 499237597 /nfs/dbraw/zinc/23/75/97/499237597.db2.gz ASOWUEZBYLUNNQ-ZACQAIPSSA-N 2 0 365.587 3.462 20 0 FGADRP CC(C)COc1ccc(CN2CC[C@@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)cc1 ZINC000370709521 499246500 /nfs/dbraw/zinc/24/65/00/499246500.db2.gz RMRDSXFOKMTICU-SIKLNZKXSA-N 2 0 359.558 3.179 20 0 FGADRP O=C([C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000371242690 499301692 /nfs/dbraw/zinc/30/16/92/499301692.db2.gz HKILLKJBQWLIJE-CTNGQTDRSA-N 2 0 373.516 3.028 20 0 FGADRP O[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]C2CCC(O)(c3ccccc3)CC2)CC1 ZINC000368494613 499301932 /nfs/dbraw/zinc/30/19/32/499301932.db2.gz NSQMQAGKHWEDQR-CIFBLZBGSA-N 2 0 372.553 3.174 20 0 FGADRP CC(C)[NH+]1CCN(CCC[NH+]2CCC(C(=O)c3cccs3)CC2)CC1 ZINC000368517793 499303861 /nfs/dbraw/zinc/30/38/61/499303861.db2.gz JKTRQJSENPOJCT-UHFFFAOYSA-N 2 0 363.571 3.059 20 0 FGADRP Cc1cccc(C(C)C)c1NC(=O)CN1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000371293585 499306698 /nfs/dbraw/zinc/30/66/98/499306698.db2.gz HAAOZYOHZNVPQO-YSIASYRMSA-N 2 0 373.541 3.240 20 0 FGADRP CC(=O)N1CC[C@@H]([NH2+]C[C@@H](C)C[NH+]2CCCCC2)c2ccc(F)cc2C1 ZINC000368630971 499315789 /nfs/dbraw/zinc/31/57/89/499315789.db2.gz HOESACJAZDZKEK-IIBYNOLFSA-N 2 0 361.505 3.331 20 0 FGADRP CCc1nn(C)c(Cl)c1C[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000368814002 499335505 /nfs/dbraw/zinc/33/55/05/499335505.db2.gz NHPAGABNVOEGNA-UHFFFAOYSA-N 2 0 361.921 3.379 20 0 FGADRP C[NH+](C)Cc1cccc(C(=O)NC[C@@H]2CC[N@H+](C)[C@H]2c2cccs2)c1 ZINC000371762622 499362922 /nfs/dbraw/zinc/36/29/22/499362922.db2.gz MMGMBTPDIPGFSP-PKOBYXMFSA-N 2 0 357.523 3.233 20 0 FGADRP C[NH+]1CCN(c2ccc(C[NH2+][C@H]3CCC[C@H](c4cccnc4)C3)cn2)CC1 ZINC000369113338 499366740 /nfs/dbraw/zinc/36/67/40/499366740.db2.gz RCTRHRLOFVQFJG-FPOVZHCZSA-N 2 0 365.525 3.044 20 0 FGADRP Cc1cc(C)cc(OCCC[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)c1 ZINC000369766950 499441703 /nfs/dbraw/zinc/44/17/03/499441703.db2.gz PACVCTHEXWMSEQ-RBBKRZOGSA-N 2 0 359.558 3.030 20 0 FGADRP c1csc(C[NH+]2CCC(NCc3ncnn3-c3ccccc3)CC2)c1 ZINC000373285755 499461584 /nfs/dbraw/zinc/46/15/84/499461584.db2.gz PQWOGZFKQGVVJO-UHFFFAOYSA-N 2 0 353.495 3.083 20 0 FGADRP CCCc1cccc(C[NH2+]Cc2c(C)nn(C)c2N2CCC[N@H+](C)CC2)c1 ZINC000373459604 499471157 /nfs/dbraw/zinc/47/11/57/499471157.db2.gz MSMQTWWXLFRVEC-UHFFFAOYSA-N 2 0 369.557 3.113 20 0 FGADRP Cc1nc([C@H](C)[NH2+]CCC2CC[NH+](C3CCN(C)CC3)CC2)cs1 ZINC000378195376 499489209 /nfs/dbraw/zinc/48/92/09/499489209.db2.gz AWVIXJZUQWYIRH-HNNXBMFYSA-N 3 0 350.576 3.298 20 0 FGADRP O=C(CC[C@@H]1CC[NH2+]C1)N1CCC[C@H]1[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000378294871 499498846 /nfs/dbraw/zinc/49/88/46/499498846.db2.gz RAOIUXWDNGHQCP-NRSPTQNISA-N 2 0 355.526 3.032 20 0 FGADRP C[N@H+](CCN1CCCc2ccccc21)C1CC[NH+](C2CCOCC2)CC1 ZINC000378310604 499500705 /nfs/dbraw/zinc/50/07/05/499500705.db2.gz KCSOEVXZEQPKHJ-UHFFFAOYSA-N 2 0 357.542 3.014 20 0 FGADRP C[C@H]1C[N@H+](CCCCCOc2ccccc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000375356716 499510428 /nfs/dbraw/zinc/51/04/28/499510428.db2.gz OIVLFXPCFBCGHB-UNMCSNQZSA-N 2 0 359.558 3.194 20 0 FGADRP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+]C[C@@H](c1ccccc1)C(C)(C)CO ZINC000378398540 499512290 /nfs/dbraw/zinc/51/22/90/499512290.db2.gz GKPDMZSHNGMYPZ-RYFAJOAYSA-N 2 0 374.569 3.268 20 0 FGADRP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+][C@H]3CCCN(c4ccncn4)C3)CC2)C1 ZINC000378473454 499521382 /nfs/dbraw/zinc/52/13/82/499521382.db2.gz KCTKLFHWZOSPMO-YZGWKJHDSA-N 2 0 357.546 3.078 20 0 FGADRP CC(=O)N1CC[C@H]([NH2+]Cc2cccc(C[NH+](C)C)c2)c2ccccc2C1 ZINC000378499135 499524686 /nfs/dbraw/zinc/52/46/86/499524686.db2.gz RUBGZIMBSQNWDT-QFIPXVFZSA-N 2 0 351.494 3.331 20 0 FGADRP C[C@@H]([NH2+]Cc1cnn(CC(F)(F)F)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000381942243 499545211 /nfs/dbraw/zinc/54/52/11/499545211.db2.gz ZFFSXIMUTSGDCO-QAPCUYQASA-N 2 0 366.431 3.446 20 0 FGADRP C[C@H](C(=O)N1CCC[N@H+](Cc2ccccc2)C[C@@H]1C)[C@H]([NH3+])c1ccccc1 ZINC000382766715 499546013 /nfs/dbraw/zinc/54/60/13/499546013.db2.gz VYQZYAKNTYFJFW-IPJJNNNSSA-N 2 0 365.521 3.446 20 0 FGADRP CC(C)[NH+]1CCC([NH2+]C[C@@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000387387681 499549759 /nfs/dbraw/zinc/54/97/59/499549759.db2.gz ITRADAUSYYHWCO-OAHLLOKOSA-N 2 0 361.313 3.196 20 0 FGADRP CC1(C)CCC[NH2+][C@@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000390942965 499556256 /nfs/dbraw/zinc/55/62/56/499556256.db2.gz RLZACFICEGHHJO-RAFMOHDBSA-N 2 0 355.526 3.076 20 0 FGADRP C[N@@H+]1CC[C@H]([NH2+]Cc2cccc(NC(=O)c3ccncc3)c2)[C@@H]2CCC[C@H]21 ZINC000375854597 499562521 /nfs/dbraw/zinc/56/25/21/499562521.db2.gz UWCZDOFXVNDLDY-PCCBWWKXSA-N 2 0 364.493 3.296 20 0 FGADRP COc1ccccc1[C@@H](C)[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000397498373 499564443 /nfs/dbraw/zinc/56/44/43/499564443.db2.gz SNRXSXVFFMXLRP-GOSISDBHSA-N 2 0 354.494 3.373 20 0 FGADRP CC(C)[NH+]1CCN([C@H]2CCN(Cc3coc(-c4cccs4)n3)C2)CC1 ZINC000375901418 499566563 /nfs/dbraw/zinc/56/65/63/499566563.db2.gz BYUGJOFASAAGOT-KRWDZBQOSA-N 2 0 360.527 3.003 20 0 FGADRP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC000376605642 499622416 /nfs/dbraw/zinc/62/24/16/499622416.db2.gz GRUUITFJFXFKAW-ZWRCUJBNSA-N 2 0 364.578 3.010 20 0 FGADRP C[C@H]1C[C@@H](C(=O)N2CCC[C@H]2[C@@H]2CCC[N@@H+]2Cc2ccccc2)CC[NH2+]1 ZINC000376633123 499624736 /nfs/dbraw/zinc/62/47/36/499624736.db2.gz CJRZGWBBQZNTHP-VMXMFDLUSA-N 2 0 355.526 3.030 20 0 FGADRP Cc1nccn1-c1ccc([C@H](C)[NH2+]C[C@H]2CC3(CCC3)C(=O)O2)cc1F ZINC000377014917 499654179 /nfs/dbraw/zinc/65/41/79/499654179.db2.gz VCASURZMFIBDSG-XJKSGUPXSA-N 2 0 357.429 3.456 20 0 FGADRP C[C@H]1[NH2+]CCC[C@H]1C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000377535191 499701623 /nfs/dbraw/zinc/70/16/23/499701623.db2.gz CREJAWYSTCXBCV-UBDVDIHFSA-N 2 0 355.526 3.029 20 0 FGADRP CCC[NH+](CCC)CCCC(=O)N(C)C1CCN(c2cc[nH+]cc2)CC1 ZINC000377591740 499707780 /nfs/dbraw/zinc/70/77/80/499707780.db2.gz WBCIEAQCYOFDNO-UHFFFAOYSA-N 2 0 360.546 3.411 20 0 FGADRP CC(C)[N@@H+]1CCc2nc(CN(CC[NH+](C)C)Cc3ccco3)sc2C1 ZINC000377669219 499717386 /nfs/dbraw/zinc/71/73/86/499717386.db2.gz DGCDTSGUWVYOBN-UHFFFAOYSA-N 2 0 362.543 3.066 20 0 FGADRP CN1CCN([C@@H]2CCCC[N@@H+]([C@H]3CSCCc4ccccc43)C2)CC1 ZINC000377680476 499719112 /nfs/dbraw/zinc/71/91/12/499719112.db2.gz VQARIAXDSISRBN-CTNGQTDRSA-N 2 0 359.583 3.119 20 0 FGADRP COc1ccc2c(c1)CCC[C@H]2[N@@H+]1CCCC[C@@H](N2CCN(C)CC2)C1 ZINC000377695567 499721227 /nfs/dbraw/zinc/72/12/27/499721227.db2.gz MJUHTWLJLGKPTK-DENIHFKCSA-N 2 0 357.542 3.175 20 0 FGADRP CN1c2ccc(C[N@H+](C)C3CCN(c4cc[nH+]cc4)CC3)cc2CCC1=O ZINC000377705947 499723163 /nfs/dbraw/zinc/72/31/63/499723163.db2.gz SPMQVPGBKKLWJA-UHFFFAOYSA-N 2 0 364.493 3.091 20 0 FGADRP CC[NH+]1CCC(NC(=O)C[NH2+]C2(c3ccc(Cl)c(Cl)c3)CC2)CC1 ZINC000411354244 499728924 /nfs/dbraw/zinc/72/89/24/499728924.db2.gz RBFSNGYGDSGFNJ-UHFFFAOYSA-N 2 0 370.324 3.173 20 0 FGADRP CC[NH+]1CCC(NC(=O)C[NH2+][C@H](c2cccc(F)c2)C2CCCC2)CC1 ZINC000411475898 499745536 /nfs/dbraw/zinc/74/55/36/499745536.db2.gz NTKQHVOOVUIDRE-NRFANRHFSA-N 2 0 361.505 3.247 20 0 FGADRP CC(CC[NH+](C)[C@H](C)c1cnn(C)c1)CC[N@H+](C)[C@H](C)c1cnn(C)c1 ZINC000411506519 499748890 /nfs/dbraw/zinc/74/88/90/499748890.db2.gz YIKSTEJRIAUFFM-QZTJIDSGSA-N 2 0 360.550 3.256 20 0 FGADRP CC[NH+]1CCC(NC(=O)C[NH2+][C@@H](C)C2(c3ccccc3)CCCC2)CC1 ZINC000411560926 499763340 /nfs/dbraw/zinc/76/33/40/499763340.db2.gz PQPFXZVTLOOUHX-SFHVURJKSA-N 2 0 357.542 3.077 20 0 FGADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1csc(-c2ccccc2)n1 ZINC000414147200 499764286 /nfs/dbraw/zinc/76/42/86/499764286.db2.gz WANGFDTYMFTBRI-SJORKVTESA-N 2 0 358.555 3.487 20 0 FGADRP C[C@H]([NH2+]C[C@@H](CO)c1ccc(F)cc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000414286102 499774520 /nfs/dbraw/zinc/77/45/20/499774520.db2.gz ITCDLNYRSATSLX-LPHOPBHVSA-N 2 0 360.473 3.193 20 0 FGADRP C[C@H]([NH2+]C[C@H](CO)c1ccc(F)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000414299571 499775501 /nfs/dbraw/zinc/77/55/01/499775501.db2.gz UHINCXIEHQXSPN-IOMROCGXSA-N 2 0 356.485 3.402 20 0 FGADRP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000576440535 506158878 /nfs/dbraw/zinc/15/88/78/506158878.db2.gz RAIMPKQHXMERSG-MSOLQXFVSA-N 2 0 360.546 3.240 20 0 FGADRP C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000414330284 499778170 /nfs/dbraw/zinc/77/81/70/499778170.db2.gz BMAAMZPZLKGAAX-UZLBHIALSA-N 2 0 357.542 3.298 20 0 FGADRP CC(C)[N@@H+](C)C[C@H](C)NC(=O)N1CCC[NH+](CCCc2ccccc2)CC1 ZINC000576440789 506159339 /nfs/dbraw/zinc/15/93/39/506159339.db2.gz RUJRAGKOJJDLHU-FQEVSTJZSA-N 2 0 374.573 3.065 20 0 FGADRP CSC1(C[NH2+]Cc2cn(-c3cccc(F)c3)nc2C)CC[NH+](C)CC1 ZINC000414449403 499793777 /nfs/dbraw/zinc/79/37/77/499793777.db2.gz CHXAGWHLWBDZSD-UHFFFAOYSA-N 2 0 362.518 3.237 20 0 FGADRP Cc1ccc(F)cc1C[NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000414557779 499808604 /nfs/dbraw/zinc/80/86/04/499808604.db2.gz QUXINHCWMYJHDY-UHFFFAOYSA-N 2 0 369.484 3.121 20 0 FGADRP CCC[C@H](Cc1ccccc1)[N@H+](CCC)C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414695498 499821132 /nfs/dbraw/zinc/82/11/32/499821132.db2.gz OXSFXUFVCQRLLH-LEWJYISDSA-N 2 0 359.558 3.307 20 0 FGADRP C[C@@H]1c2cc(Cl)cc(Cl)c2CC[N@H+]1C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414753828 499826715 /nfs/dbraw/zinc/82/67/15/499826715.db2.gz NAVZACBUABYYNH-OLZOCXBDSA-N 2 0 370.324 3.110 20 0 FGADRP CCCN(C(=O)c1cccs1)C1CC[NH+](C[C@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000414752525 499826842 /nfs/dbraw/zinc/82/68/42/499826842.db2.gz KYQCFMBQOSNOEA-IRXDYDNUSA-N 2 0 363.571 3.453 20 0 FGADRP C[C@H]1C[C@@H](C[NH+]2CCC(C(=O)Nc3cc(Cl)ccc3O)CC2)CC[NH2+]1 ZINC000414762655 499827580 /nfs/dbraw/zinc/82/75/80/499827580.db2.gz WJWFTGBNFGFXCH-KBPBESRZSA-N 2 0 365.905 3.084 20 0 FGADRP COc1cc(Br)ccc1C[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414774666 499829729 /nfs/dbraw/zinc/82/97/29/499829729.db2.gz FREQCBNUISEODW-ZIAGYGMSSA-N 2 0 353.304 3.279 20 0 FGADRP COc1c(Br)cccc1C[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414778556 499830295 /nfs/dbraw/zinc/83/02/95/499830295.db2.gz JBPFWDCOULUABX-KGLIPLIRSA-N 2 0 353.304 3.279 20 0 FGADRP Cc1nn(-c2ccc(F)cc2)c(C)c1C[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414783814 499830803 /nfs/dbraw/zinc/83/08/03/499830803.db2.gz QPQUUWOJNXHRAF-MSOLQXFVSA-N 2 0 356.489 3.450 20 0 FGADRP Cc1nn(Cc2ccccc2)c(C)c1C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000414787215 499831121 /nfs/dbraw/zinc/83/11/21/499831121.db2.gz VKCPAWIMLQYNNH-SFTDATJTSA-N 2 0 352.526 3.370 20 0 FGADRP COc1cc(C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])ccc1OCc1ccncc1 ZINC000414801743 499832952 /nfs/dbraw/zinc/83/29/52/499832952.db2.gz MCDGLJXKJHCPNH-RBUKOAKNSA-N 2 0 355.482 3.276 20 0 FGADRP CC(C)c1ccc([C@H]([NH3+])CNC2CC[NH+](Cc3cccnc3)CC2)cc1 ZINC000414820733 499834427 /nfs/dbraw/zinc/83/44/27/499834427.db2.gz AYRLVTGPYSESAD-JOCHJYFZSA-N 2 0 352.526 3.459 20 0 FGADRP C[C@@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000414838239 499836220 /nfs/dbraw/zinc/83/62/20/499836220.db2.gz LCJBHWDSFSYRKP-JKSUJKDBSA-N 2 0 351.922 3.056 20 0 FGADRP C[C@@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000414838235 499836235 /nfs/dbraw/zinc/83/62/35/499836235.db2.gz LCJBHWDSFSYRKP-HOTGVXAUSA-N 2 0 351.922 3.056 20 0 FGADRP COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+][C@H](C)[C@H]1CCC[NH2+]C1 ZINC000414848310 499837449 /nfs/dbraw/zinc/83/74/49/499837449.db2.gz GLNZKTWAAMOYFK-MJBXVCDLSA-N 2 0 353.894 3.043 20 0 FGADRP O=C(NC[C@@H]1CCCC[N@@H+]1C1CC1)c1cccc(C[NH+]2CCCCC2)c1 ZINC000412291535 499841788 /nfs/dbraw/zinc/84/17/88/499841788.db2.gz LCUIKODVZIOSMY-NRFANRHFSA-N 2 0 355.526 3.419 20 0 FGADRP C[C@@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[NH2+]CCCC[NH3+] ZINC000414915305 499844353 /nfs/dbraw/zinc/84/43/53/499844353.db2.gz YZDINKCSLMKKLQ-JTQLQIEISA-N 2 0 351.800 3.404 20 0 FGADRP C[C@@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+][C@@H]1CC[NH2+][C@H](C)C1 ZINC000414950348 499847933 /nfs/dbraw/zinc/84/79/33/499847933.db2.gz OMGRCVYXRRFFON-MBNYWOFBSA-N 2 0 359.392 3.032 20 0 FGADRP C[C@H]1C[C@@H]1[N@@H+]1CCN(C(=O)c2cccc(C[NH+]3CCCCC3)c2)C[C@@H](C)C1 ZINC000412358805 499848571 /nfs/dbraw/zinc/84/85/71/499848571.db2.gz JIIMLTXAUOGPLJ-IPJJNNNSSA-N 2 0 369.553 3.475 20 0 FGADRP [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000414967976 499849848 /nfs/dbraw/zinc/84/98/48/499849848.db2.gz CGESWSHMBKPIKA-AZUAARDMSA-N 2 0 358.530 3.354 20 0 FGADRP COCC1(C[NH2+]Cc2ccc(-c3ccccc3OC)cc2)CC[NH2+]CC1 ZINC000414968285 499849856 /nfs/dbraw/zinc/84/98/56/499849856.db2.gz DTXSQQDHECCELZ-UHFFFAOYSA-N 2 0 354.494 3.468 20 0 FGADRP C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000414974830 499850461 /nfs/dbraw/zinc/85/04/61/499850461.db2.gz KXBHHGMMZSIJRS-YLJYHZDGSA-N 2 0 358.530 3.449 20 0 FGADRP Cc1cc(Br)cn2c(C[NH2+]CCC[C@H]3CCC[NH2+]3)cnc12 ZINC000414979948 499851011 /nfs/dbraw/zinc/85/10/11/499851011.db2.gz VUBKHNQRJLLLBB-AWEZNQCLSA-N 2 0 351.292 3.027 20 0 FGADRP CCOc1c(Br)cc(C[NH2+]C[C@@H]2CCC[C@@H]([NH3+])C2)cc1OC ZINC000414990729 499852341 /nfs/dbraw/zinc/85/23/41/499852341.db2.gz JABUYNIEOYUGIP-TZMCWYRMSA-N 2 0 371.319 3.464 20 0 FGADRP [NH3+][C@@H]1CCC[C@@H](C[NH2+]Cc2cn(-c3ccc(Cl)c(Cl)c3)nn2)C1 ZINC000414993100 499852729 /nfs/dbraw/zinc/85/27/29/499852729.db2.gz CDRPUWJYKLNVJT-VXGBXAGGSA-N 2 0 354.285 3.181 20 0 FGADRP COc1cccc(NC(=O)C[C@H](C)[NH2+][C@@H](CCC[NH3+])c2ccccc2)c1 ZINC000415055835 499859229 /nfs/dbraw/zinc/85/92/29/499859229.db2.gz OYZFVOWOTQCCOJ-JXFKEZNVSA-N 2 0 355.482 3.482 20 0 FGADRP Fc1ccc(CN2CCC([NH2+][C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)CC2)cc1F ZINC000415103590 499863825 /nfs/dbraw/zinc/86/38/25/499863825.db2.gz KPKHXLGIEAAXRD-DUXKGJEZSA-N 2 0 363.496 3.440 20 0 FGADRP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](Cc2ccccc2OCC(F)(F)F)CC1 ZINC000415116388 499865624 /nfs/dbraw/zinc/86/56/24/499865624.db2.gz YAKVQEAINUJMDC-SJLPKXTDSA-N 2 0 372.431 3.346 20 0 FGADRP [NH3+][C@H]1CCO[C@@H](C2CC[NH+](Cc3ccccc3OC(F)(F)F)CC2)C1 ZINC000415121193 499866274 /nfs/dbraw/zinc/86/62/74/499866274.db2.gz HQGZWGPZCLOIAV-DOTOQJQBSA-N 2 0 358.404 3.304 20 0 FGADRP [NH3+][C@H]1CCO[C@H](C2CC[NH+](Cc3cccc(Br)c3)CC2)C1 ZINC000415129669 499867674 /nfs/dbraw/zinc/86/76/74/499867674.db2.gz VPLIRWCHRITSRL-IRXDYDNUSA-N 2 0 353.304 3.167 20 0 FGADRP Cc1ccc(-c2ncc(C[NH+]3CCC([C@@H]4C[C@@H]([NH3+])CCO4)CC3)s2)o1 ZINC000415130576 499867739 /nfs/dbraw/zinc/86/77/39/499867739.db2.gz XHCRXEQMGBQMRT-YJBOKZPZSA-N 2 0 361.511 3.430 20 0 FGADRP C[C@H]1CC[N@H+](Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)C[C@@H]1C[NH3+] ZINC000415133355 499868476 /nfs/dbraw/zinc/86/84/76/499868476.db2.gz VBXYAQQZSQMUOW-ZFWWWQNUSA-N 2 0 352.404 3.308 20 0 FGADRP Brc1cccc(CN2CCC([NH2+][C@H]3CCC[NH2+]CC3)CC2)c1 ZINC000415140861 499869687 /nfs/dbraw/zinc/86/96/87/499869687.db2.gz NUNURQADVQZISJ-KRWDZBQOSA-N 2 0 366.347 3.145 20 0 FGADRP C[C@H]([NH2+]CC(=O)N1CC[NH2+]CC1)c1ccc(-c2ccccc2Cl)s1 ZINC000576458223 506163376 /nfs/dbraw/zinc/16/33/76/506163376.db2.gz QODQECRAHLGIOL-ZDUSSCGKSA-N 2 0 363.914 3.151 20 0 FGADRP O=C(NCC[C@H]1CCC[NH2+]C1)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000415304717 499885183 /nfs/dbraw/zinc/88/51/83/499885183.db2.gz GDFRKDHEEFKTIQ-GOSISDBHSA-N 2 0 374.529 3.063 20 0 FGADRP CC1(CNC(=O)Nc2ccc(OCC[NH+]3CCCCC3)cc2)CC[NH2+]CC1 ZINC000415309869 499885326 /nfs/dbraw/zinc/88/53/26/499885326.db2.gz NUPOXJJWTMILJG-UHFFFAOYSA-N 2 0 374.529 3.063 20 0 FGADRP C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)N[C@H](C[NH3+])c1ccc2ccccc2c1 ZINC000582231461 506165034 /nfs/dbraw/zinc/16/50/34/506165034.db2.gz XTWMPOGEZLAGCH-MAODMQOUSA-N 2 0 366.509 3.108 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)Nc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000415886437 499924523 /nfs/dbraw/zinc/92/45/23/499924523.db2.gz UXWLBMUGRYFCOJ-MSOLQXFVSA-N 2 0 370.541 3.451 20 0 FGADRP C[NH2+]Cc1ccccc1NC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000415930018 499929727 /nfs/dbraw/zinc/92/97/27/499929727.db2.gz ZNHYUUIHQXVVRT-OXJNMPFZSA-N 2 0 352.482 3.048 20 0 FGADRP C[NH2+]Cc1ccccc1NC(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000415930022 499929758 /nfs/dbraw/zinc/92/97/58/499929758.db2.gz ZNHYUUIHQXVVRT-UZLBHIALSA-N 2 0 352.482 3.048 20 0 FGADRP CC[NH+](CC)Cc1cccc(CNC(=O)Nc2ccc(OCC[NH3+])cc2)c1 ZINC000415934049 499930080 /nfs/dbraw/zinc/93/00/80/499930080.db2.gz HCXWRHILRIRCKC-UHFFFAOYSA-N 2 0 370.497 3.188 20 0 FGADRP C[NH2+]Cc1cccc(NC(=O)N[C@H](C[NH+](C)C)c2ccc(Cl)cc2)c1 ZINC000415933057 499930112 /nfs/dbraw/zinc/93/01/12/499930112.db2.gz OUJNSYWEGZKECF-GOSISDBHSA-N 2 0 360.889 3.484 20 0 FGADRP CC[NH2+]Cc1ccccc1NC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000415933289 499930198 /nfs/dbraw/zinc/93/01/98/499930198.db2.gz PKLKUXPNACMQEE-VQTJNVASSA-N 2 0 352.482 3.363 20 0 FGADRP C[NH2+]Cc1cccc(NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000415943772 499931545 /nfs/dbraw/zinc/93/15/45/499931545.db2.gz MZABMAJTFAVKPJ-DYESRHJHSA-N 2 0 366.509 3.438 20 0 FGADRP C[N@@H+]1CCC[C@@]2(CCN(C(=O)Nc3cc(C[NH3+])cc(C(F)(F)F)c3)C2)C1 ZINC000415965963 499934772 /nfs/dbraw/zinc/93/47/72/499934772.db2.gz FWRRAJQQRNGOHS-QGZVFWFLSA-N 2 0 370.419 3.114 20 0 FGADRP [NH3+]Cc1ccc(NC(=O)N2CCC[N@H+](CCCc3ccccc3)CC2)cc1 ZINC000415967895 499934939 /nfs/dbraw/zinc/93/49/39/499934939.db2.gz BNMJIUPIHKYJAX-UHFFFAOYSA-N 2 0 366.509 3.318 20 0 FGADRP C[NH2+]Cc1ccc(NC(=O)N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000415966828 499934962 /nfs/dbraw/zinc/93/49/62/499934962.db2.gz AQGWTVCEFRLXHV-FQEVSTJZSA-N 2 0 366.509 3.392 20 0 FGADRP [NH3+]Cc1ccc(NC(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)cc1 ZINC000415974404 499936070 /nfs/dbraw/zinc/93/60/70/499936070.db2.gz LASQFIRBHASOSY-UHFFFAOYSA-N 2 0 356.445 3.071 20 0 FGADRP C[NH2+]Cc1ccc(NC(=O)NC2CC[NH+]([C@H](C)c3ccncc3)CC2)cc1 ZINC000415986795 499937729 /nfs/dbraw/zinc/93/77/29/499937729.db2.gz VRRVUXYHIILJTC-MRXNPFEDSA-N 2 0 367.497 3.148 20 0 FGADRP CC[NH+](CC)Cc1ccccc1CNC(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000416008692 499940452 /nfs/dbraw/zinc/94/04/52/499940452.db2.gz MRBSBYNFQBFKOG-UHFFFAOYSA-N 2 0 352.482 3.453 20 0 FGADRP CCc1ccccc1[C@H]([NH3+])CNC(=O)NCCCC[NH+]1CCC(C)CC1 ZINC000417027763 499951335 /nfs/dbraw/zinc/95/13/35/499951335.db2.gz MBKOVXRVRNIWLD-HXUWFJFHSA-N 2 0 360.546 3.060 20 0 FGADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)N[C@H](CCC[NH3+])c2ccccc2)C1 ZINC000417050948 499958163 /nfs/dbraw/zinc/95/81/63/499958163.db2.gz YKGIFLSYPYWOJZ-UYAOXDASSA-N 2 0 360.546 3.278 20 0 FGADRP C[C@H]([NH3+])c1ccc(CNC(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000417103365 499973493 /nfs/dbraw/zinc/97/34/93/499973493.db2.gz DAQCPBOGDGEBGV-LAUBAEHRSA-N 2 0 366.509 3.170 20 0 FGADRP C[C@@H]1CCC[C@@](CNC(=O)N[C@H](CCC[NH3+])c2ccccc2)([NH+](C)C)C1 ZINC000417209677 500005867 /nfs/dbraw/zinc/00/58/67/500005867.db2.gz CUAALOLAEHSIFM-YFVAEKQCSA-N 2 0 360.546 3.276 20 0 FGADRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N[C@@H](CCC[NH3+])c2ccccc2)C1 ZINC000417240877 500015585 /nfs/dbraw/zinc/01/55/85/500015585.db2.gz QDEDDZLHOZIGCI-MJGOQNOKSA-N 2 0 360.546 3.276 20 0 FGADRP C[NH+](C)C1CCC([NH2+]Cc2ccc(I)cc2)CC1 ZINC000421366660 500028391 /nfs/dbraw/zinc/02/83/91/500028391.db2.gz CZSYNBZHQGPVTA-UHFFFAOYSA-N 2 0 358.267 3.254 20 0 FGADRP O=C(Nc1ccc2c(c1)C[NH2+]CC2)c1ccc(C[NH+]2CCSCC2)cc1 ZINC000429326424 500053060 /nfs/dbraw/zinc/05/30/60/500053060.db2.gz ICABTICARBJLQH-UHFFFAOYSA-N 2 0 367.518 3.133 20 0 FGADRP O=C(NCc1ccc(C[NH+]2CCCCCC2)cc1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000417378860 500054220 /nfs/dbraw/zinc/05/42/20/500054220.db2.gz SZAPFECXCFEPPB-NRFANRHFSA-N 2 0 370.541 3.099 20 0 FGADRP C[NH2+]C1CCN(C(=O)c2cccc(C[N@H+](C)Cc3ccccc3)c2)CC1 ZINC000429398866 500070225 /nfs/dbraw/zinc/07/02/25/500070225.db2.gz AVAHXNKYPZPWLJ-UHFFFAOYSA-N 2 0 351.494 3.143 20 0 FGADRP CC1CC[NH+](C[C@H]2CCCN(C(=O)Nc3cccc4c3CC[NH2+]C4)C2)CC1 ZINC000573342076 506175652 /nfs/dbraw/zinc/17/56/52/506175652.db2.gz MWBKBTIVYLMLNA-GOSISDBHSA-N 2 0 370.541 3.308 20 0 FGADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CC2(CCC2)[C@H]1C1CCOCC1 ZINC000425367209 500086616 /nfs/dbraw/zinc/08/66/16/500086616.db2.gz BNSFBDCYBGDCAS-HXUWFJFHSA-N 2 0 352.482 3.357 20 0 FGADRP C[C@@H]([NH3+])c1ccc(CNC(=O)c2oc3ccccc3c2C[NH+](C)C)cc1 ZINC000429509893 500090302 /nfs/dbraw/zinc/09/03/02/500090302.db2.gz KXDMHURFFCHLLT-CQSZACIVSA-N 2 0 351.450 3.444 20 0 FGADRP C[C@H]([NH3+])c1ccc(CNC(=O)c2oc3ccccc3c2C[NH+](C)C)cc1 ZINC000429509892 500090554 /nfs/dbraw/zinc/09/05/54/500090554.db2.gz KXDMHURFFCHLLT-AWEZNQCLSA-N 2 0 351.450 3.444 20 0 FGADRP C[NH+](C)CCOc1ccc(NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)c(F)c1 ZINC000413901321 500090834 /nfs/dbraw/zinc/09/08/34/500090834.db2.gz MUOVHLKZIHIASO-IBGZPJMESA-N 2 0 363.477 3.112 20 0 FGADRP C[NH+](C)[C@H]1CCCN(C[C@H](O)COc2cc(Cl)ccc2Cl)CC1 ZINC000429541383 500096973 /nfs/dbraw/zinc/09/69/73/500096973.db2.gz OUKANZWKCDBLHP-GJZGRUSLSA-N 2 0 361.313 3.149 20 0 FGADRP CC(C)c1nccn1CCC(=O)N1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000413955904 500107344 /nfs/dbraw/zinc/10/73/44/500107344.db2.gz MXKTYQUGRDFXNP-SFHVURJKSA-N 2 0 354.498 3.130 20 0 FGADRP CC[N@H+](Cc1ccc(C(=O)N2CCC([NH2+]CC3CC3)CC2)cc1)C1CC1 ZINC000429595091 500110181 /nfs/dbraw/zinc/11/01/81/500110181.db2.gz ZALVGQATVMMRLE-UHFFFAOYSA-N 2 0 355.526 3.275 20 0 FGADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)NC[C@H]1CC[C@H](C[NH3+])CC1)c1ccccc1 ZINC000417621242 500127732 /nfs/dbraw/zinc/12/77/32/500127732.db2.gz HBMLVFGKIUQYBN-KZNAEPCWSA-N 2 0 360.546 3.180 20 0 FGADRP C[NH+](C)C1(CNC(=O)N[C@@H](C[NH3+])c2ccc3ccccc3c2)CCCC1 ZINC000416832705 500133057 /nfs/dbraw/zinc/13/30/57/500133057.db2.gz UXSAGFCTBDOSDY-IBGZPJMESA-N 2 0 354.498 3.013 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)NC[C@H]1CC[C@H](C[NH3+])CC1)c1ccccc1 ZINC000416834020 500133811 /nfs/dbraw/zinc/13/38/11/500133811.db2.gz CYKNCRHVQSFQOU-BJLQDIEVSA-N 2 0 360.546 3.134 20 0 FGADRP CCc1ccc([C@@H](CNC(=O)N2CCC3(CC[NH2+]CC3)CC2)[NH+](C)C)cc1 ZINC000416838903 500134355 /nfs/dbraw/zinc/13/43/55/500134355.db2.gz JLFZEMPCPCSDBD-HXUWFJFHSA-N 2 0 372.557 3.027 20 0 FGADRP CCc1ccc([C@@H](CNC(=O)NCc2ccc([C@@H](C)[NH3+])cc2)[NH+](C)C)cc1 ZINC000416847222 500136625 /nfs/dbraw/zinc/13/66/25/500136625.db2.gz UYQBVCCFEVPJIW-IIBYNOLFSA-N 2 0 368.525 3.371 20 0 FGADRP [NH3+][C@@H]1CCC[C@@H](CNC(=O)NCc2ccccc2C[NH+]2CCCCCC2)C1 ZINC000579452402 506178198 /nfs/dbraw/zinc/17/81/98/506178198.db2.gz BOWOHYSZKONEIL-WIYYLYMNSA-N 2 0 372.557 3.379 20 0 FGADRP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CC(C)(C)C[C@@H]2c2ccccc2)CC1 ZINC000425544659 500140324 /nfs/dbraw/zinc/14/03/24/500140324.db2.gz RCQXZARGLCUFNF-HXUWFJFHSA-N 2 0 357.542 3.449 20 0 FGADRP C[C@H]1[C@@H]([NH3+])CCN1C(=O)NCc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000582290213 506178285 /nfs/dbraw/zinc/17/82/85/506178285.db2.gz SXNXWUVQADPOPY-JXFKEZNVSA-N 2 0 358.530 3.082 20 0 FGADRP [NH3+]C[C@@H](NC(=O)NCCC[NH+]1CCCCC1)c1ccc2ccccc2c1 ZINC000416879002 500146625 /nfs/dbraw/zinc/14/66/25/500146625.db2.gz WPHXEUPJXWTOIM-HXUWFJFHSA-N 2 0 354.498 3.015 20 0 FGADRP C[C@@H](NC(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCCC1)[C@H]1CCC[NH2+]C1 ZINC000417700956 500151982 /nfs/dbraw/zinc/15/19/82/500151982.db2.gz JDQLCFFGIICTLA-HBFSDRIKSA-N 2 0 372.557 3.337 20 0 FGADRP COc1cc(Cl)ccc1[C@H](C)[NH2+]C[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC000421821717 500159341 /nfs/dbraw/zinc/15/93/41/500159341.db2.gz SZQAGFGMKDZKIE-YJBOKZPZSA-N 2 0 353.938 3.271 20 0 FGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H](C)c2ccc(Cl)cc2OC)CC1 ZINC000421824550 500160543 /nfs/dbraw/zinc/16/05/43/500160543.db2.gz JHVVXVGSQDZNAA-HZPDHXFCSA-N 2 0 353.938 3.273 20 0 FGADRP COC1([C@H](C)[NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)CCCCC1 ZINC000421828812 500161091 /nfs/dbraw/zinc/16/10/91/500161091.db2.gz FKCRMMGGJXKTRK-SFHVURJKSA-N 2 0 360.542 3.471 20 0 FGADRP COc1ccc([C@H]([NH2+]CCN2CCC([NH+](C)C)CC2)C(C)C)c(F)c1 ZINC000421829590 500161234 /nfs/dbraw/zinc/16/12/34/500161234.db2.gz IOOSGIIGTWODHM-HXUWFJFHSA-N 2 0 351.510 3.147 20 0 FGADRP COC1([C@H](C)[NH2+]CC2(N3CCCCC3)CC[NH+](C)CC2)CCCCC1 ZINC000421831117 500161356 /nfs/dbraw/zinc/16/13/56/500161356.db2.gz KYROZRGUGSYZSZ-IBGZPJMESA-N 2 0 351.579 3.264 20 0 FGADRP COC1([C@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H]2CO)CCCCC1 ZINC000421834320 500161981 /nfs/dbraw/zinc/16/19/81/500161981.db2.gz CAVLPCSZRIBLCY-GHTZIAJQSA-N 2 0 360.542 3.471 20 0 FGADRP COc1ccc([C@@H]([NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)C2CC2)c(F)c1 ZINC000421838582 500162009 /nfs/dbraw/zinc/16/20/09/500162009.db2.gz VOQOJBGZHRSYML-UZLBHIALSA-N 2 0 350.478 3.112 20 0 FGADRP COC1([C@H](C)[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CCOCC1 ZINC000421867965 500166108 /nfs/dbraw/zinc/16/61/08/500166108.db2.gz PTWBJWRMFCWTPW-ZIBCJSCZSA-N 2 0 358.526 3.071 20 0 FGADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000416969952 500170159 /nfs/dbraw/zinc/17/01/59/500170159.db2.gz MFWVZGSNCAWITI-CTNGQTDRSA-N 2 0 372.557 3.058 20 0 FGADRP C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000416970562 500170903 /nfs/dbraw/zinc/17/09/03/500170903.db2.gz FEVLXPRXRDAPNS-WIYYLYMNSA-N 2 0 372.557 3.330 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)NC2(C)CC[NH2+]CC2)cc1 ZINC000416972101 500171417 /nfs/dbraw/zinc/17/14/17/500171417.db2.gz HVUBLYUFPKZGGN-QGZVFWFLSA-N 2 0 358.530 3.002 20 0 FGADRP C[NH2+]C[C@H]1CCCN(C(=O)NCc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)C1 ZINC000416977560 500173468 /nfs/dbraw/zinc/17/34/68/500173468.db2.gz QDBINEZWTRWUEE-GHTZIAJQSA-N 2 0 372.557 3.202 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)N[C@H]3CC[C@H](C[NH3+])C3)cc2)C1 ZINC000416981254 500174572 /nfs/dbraw/zinc/17/45/72/500174572.db2.gz CJUPXXORYHYPDX-JWWGGVBKSA-N 2 0 372.557 3.091 20 0 FGADRP CCCN(C(=O)NC1CC[NH+](Cc2ccccc2C)CC1)C1CC[NH2+]CC1 ZINC000416981598 500174585 /nfs/dbraw/zinc/17/45/85/500174585.db2.gz VDNMRQDAGUKNCM-UHFFFAOYSA-N 2 0 372.557 3.133 20 0 FGADRP C[NH2+]C[C@@H]1CCCN1C(=O)NCc1ccccc1C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000416989115 500176745 /nfs/dbraw/zinc/17/67/45/500176745.db2.gz AGDRJTXJNAAWEI-OPYAIIAOSA-N 2 0 372.557 3.058 20 0 FGADRP C[NH2+][C@H]1CCCN(C(=O)NCc2ccccc2C[N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000416990115 500177232 /nfs/dbraw/zinc/17/72/32/500177232.db2.gz MYOHRIOIUUAGQA-UEXGIBASSA-N 2 0 372.557 3.058 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)N[C@@H]3CC[NH2+][C@@H](C)C3)cc2)C1 ZINC000416993438 500178746 /nfs/dbraw/zinc/17/87/46/500178746.db2.gz QFYYOQQOODTBAJ-TWFHAPMSSA-N 2 0 372.557 3.104 20 0 FGADRP C[C@@H]1C[C@@H](NC(=O)NCC2([NH3+])CCCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000417827170 500179713 /nfs/dbraw/zinc/17/97/13/500179713.db2.gz CWIYCZHVDJVQBV-MJGOQNOKSA-N 2 0 358.530 3.000 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccsc1 ZINC000416999174 500180282 /nfs/dbraw/zinc/18/02/82/500180282.db2.gz BPZLTXPQXZJJSE-UJJTZGENSA-N 2 0 364.559 3.055 20 0 FGADRP C[NH+](C)[C@H](CNC(=O)N[C@@H](CCC[NH3+])c1ccccc1)C1CCCCC1 ZINC000417009346 500183574 /nfs/dbraw/zinc/18/35/74/500183574.db2.gz KGWUWQJISPXLRK-VQTJNVASSA-N 2 0 360.546 3.276 20 0 FGADRP C[NH+](C)[C@H](CNC(=O)N[C@@H](CCC[NH3+])c1ccccc1)c1ccsc1 ZINC000417015534 500184186 /nfs/dbraw/zinc/18/41/86/500184186.db2.gz MQJBNDNCKLLKAK-ZWKOTPCHSA-N 2 0 360.527 3.130 20 0 FGADRP C[NH+](C)Cc1cccc(C(=O)NC[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)c1 ZINC000573368602 506181169 /nfs/dbraw/zinc/18/11/69/506181169.db2.gz OONCBEQPQFEYSL-PZJWPPBQSA-N 2 0 369.484 3.010 20 0 FGADRP CC(C)C[C@H](CNC(=O)N1CC[C@H](C)[C@H](C[NH3+])C1)[NH2+][C@@H](C)c1ccccc1 ZINC000417871015 500188259 /nfs/dbraw/zinc/18/82/59/500188259.db2.gz JCRQQTGKBFPIFT-FMWKFLBASA-N 2 0 374.573 3.378 20 0 FGADRP CC[NH+]1CCN(c2ccccc2C[N@@H+]2CCOC[C@@H](C3CCC3)C2)CC1 ZINC000430132538 500197438 /nfs/dbraw/zinc/19/74/38/500197438.db2.gz CHRDXCWGBCCUQD-NRFANRHFSA-N 2 0 357.542 3.077 20 0 FGADRP C[C@@H]([NH3+])c1ccc(CNC(=O)N[C@H](C)C[N@H+](C)Cc2ccccc2)cc1 ZINC000417980048 500208200 /nfs/dbraw/zinc/20/82/00/500208200.db2.gz JSVUUSFWDXNMMP-IAGOWNOFSA-N 2 0 354.498 3.026 20 0 FGADRP Cc1ccc([C@H]2OCCC[C@@H]2[NH2+]Cc2cc(C3CC[NH2+]CC3)no2)cc1 ZINC000425899103 500209559 /nfs/dbraw/zinc/20/95/59/500209559.db2.gz KQLXXRCOLOZQJM-PZJWPPBQSA-N 2 0 355.482 3.460 20 0 FGADRP CCCN(C(=O)N[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)C1CC[NH2+]CC1 ZINC000417987102 500210064 /nfs/dbraw/zinc/21/00/64/500210064.db2.gz GBECJEPSYBAWIR-ICSRJNTNSA-N 2 0 372.557 3.071 20 0 FGADRP C[C@@H]1C[C@@H](CCNC(=O)N(C)C[C@H]2CCC[N@@H+]2C)C[NH+]1Cc1ccccc1 ZINC000422186681 500229375 /nfs/dbraw/zinc/22/93/75/500229375.db2.gz RTEUHSYUROVOIU-HMXCVIKNSA-N 2 0 372.557 3.023 20 0 FGADRP [NH3+]CCCN(Cc1ccccc1)C(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000418143590 500236373 /nfs/dbraw/zinc/23/63/73/500236373.db2.gz QRBKBLAHDDKSRU-OAQYLSRUSA-N 2 0 372.557 3.344 20 0 FGADRP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NC[C@@H]1CCC[C@H]([NH3+])C1 ZINC000418153809 500238217 /nfs/dbraw/zinc/23/82/17/500238217.db2.gz JGQHCTYEAZPXEG-AABGKKOBSA-N 2 0 372.557 3.104 20 0 FGADRP CC(C)Cc1ccc([C@H](CNC(=O)N2CC[C@@H](C)[C@@H](C[NH3+])C2)[NH+](C)C)cc1 ZINC000418198227 500247977 /nfs/dbraw/zinc/24/79/77/500247977.db2.gz UYODJDVQMYCNHB-QMMLZNLJSA-N 2 0 374.573 3.114 20 0 FGADRP CC(C)Cc1ccc([C@@H](CNC(=O)N2CCC[C@H](CC[NH3+])C2)[NH+](C)C)cc1 ZINC000418199547 500248479 /nfs/dbraw/zinc/24/84/79/500248479.db2.gz XBLWUISNRNIRDN-TZIWHRDSSA-N 2 0 374.573 3.258 20 0 FGADRP CCc1ccc([C@H](CNC(=O)N[C@H]2CC[C@@H](C[NH3+])C2)[NH+](CC)CC)cc1 ZINC000418211834 500249725 /nfs/dbraw/zinc/24/97/25/500249725.db2.gz IUXVECJSJYYKFQ-HOJAQTOUSA-N 2 0 360.546 3.059 20 0 FGADRP CCc1ccc([C@@H](CNC(=O)N2CCC[C@@H](C[NH2+]C)C2)[NH+](CC)CC)cc1 ZINC000418209811 500249752 /nfs/dbraw/zinc/24/97/52/500249752.db2.gz FXBCVFFLNVRLMT-PZJWPPBQSA-N 2 0 374.573 3.273 20 0 FGADRP C[NH+](Cc1ccccc1C[N@@H+](C)[C@@H]1CCCC[C@H]1O)[C@@H]1CCCC[C@H]1O ZINC000426225370 500249970 /nfs/dbraw/zinc/24/99/70/500249970.db2.gz DTEZVLDAHWDVMQ-GXRSIYKFSA-N 2 0 360.542 3.157 20 0 FGADRP CCc1ccc([C@H](CNC(=O)N[C@@H]2CC[NH2+][C@@H](C)C2)[NH+](CC)CC)cc1 ZINC000418218227 500251148 /nfs/dbraw/zinc/25/11/48/500251148.db2.gz QKYFGIZMRXCOSS-DBVUQKKJSA-N 2 0 360.546 3.072 20 0 FGADRP CC[NH2+]CC1CC[NH+](CC(=O)N[C@H](C)c2ccc(Cl)c(Cl)c2)CC1 ZINC000430554718 500253671 /nfs/dbraw/zinc/25/36/71/500253671.db2.gz QXHJYUNMHOTGNB-CYBMUJFWSA-N 2 0 372.340 3.492 20 0 FGADRP C[NH2+]C[C@@H]1CCC[N@H+](CCC(=O)N[C@H](c2cccs2)c2ccccc2)C1 ZINC000430619675 500262896 /nfs/dbraw/zinc/26/28/96/500262896.db2.gz AHHGFZSACDTUTA-UWJYYQICSA-N 2 0 371.550 3.275 20 0 FGADRP [NH3+]CC1CC[NH+](CCC(=O)N[C@H](c2cccs2)c2ccccc2)CC1 ZINC000430622039 500263020 /nfs/dbraw/zinc/26/30/20/500263020.db2.gz FCZLKEJJOSOQNZ-FQEVSTJZSA-N 2 0 357.523 3.015 20 0 FGADRP C[C@@H](NC(=O)[C@H](C)[NH+]1CCC(C[NH3+])CC1)c1ccc(Cl)cc1Cl ZINC000430635303 500264962 /nfs/dbraw/zinc/26/49/62/500264962.db2.gz VACPBGMCFLFGSL-NEPJUHHUSA-N 2 0 358.313 3.230 20 0 FGADRP C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000418410216 500273381 /nfs/dbraw/zinc/27/33/81/500273381.db2.gz OMLUDZRABQCSBA-NHCUHLMSSA-N 2 0 372.557 3.058 20 0 FGADRP CC[C@@H]1CC[C@@H](C)C[C@H]1[NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000430715857 500274215 /nfs/dbraw/zinc/27/42/15/500274215.db2.gz BLZYOAUVHOXSIW-VAMGGRTRSA-N 2 0 359.562 3.183 20 0 FGADRP C[C@H]([NH3+])c1ccc(CNC(=O)N2CCC[N@H+](Cc3ccccc3)CC2)cc1 ZINC000418457116 500279103 /nfs/dbraw/zinc/27/91/03/500279103.db2.gz GNAASDQQRADVKV-SFHVURJKSA-N 2 0 366.509 3.124 20 0 FGADRP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)N[C@@H](C[NH3+])c1ccc2ccccc2c1 ZINC000418483102 500282096 /nfs/dbraw/zinc/28/20/96/500282096.db2.gz FLULSWAGKGKPNI-KKSFZXQISA-N 2 0 368.525 3.211 20 0 FGADRP Cc1nccn1CCCN(C)C(=O)N[C@H](C[NH3+])c1ccc2ccccc2c1 ZINC000418487041 500282429 /nfs/dbraw/zinc/28/24/29/500282429.db2.gz KIVNLLUPTPQYGV-HXUWFJFHSA-N 2 0 365.481 3.076 20 0 FGADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@H](C[NH3+])c2ccc3ccccc3c2)C1 ZINC000418503848 500285836 /nfs/dbraw/zinc/28/58/36/500285836.db2.gz ZUCJJLGKTPIHPI-LAUBAEHRSA-N 2 0 368.525 3.213 20 0 FGADRP CCOc1ccccc1Oc1ccc(C[NH2+][C@@H]2CCOC[C@H]2[C@@H](C)[NH3+])cn1 ZINC000422696405 500286953 /nfs/dbraw/zinc/28/69/53/500286953.db2.gz RNYGFJFLKVXMLC-BPQIPLTHSA-N 2 0 371.481 3.115 20 0 FGADRP CC[NH+](CC)CCOc1ccc(CN[C@@H]2CCCCC[C@@H]2[NH3+])cc1OC ZINC000422697153 500287265 /nfs/dbraw/zinc/28/72/65/500287265.db2.gz UAPVKYWCIKYTQK-RBUKOAKNSA-N 2 0 363.546 3.165 20 0 FGADRP COc1ccc(C[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c(OC)c1 ZINC000422714912 500288537 /nfs/dbraw/zinc/28/85/37/500288537.db2.gz INKSLJBDALBWDG-WIYYLYMNSA-N 2 0 354.450 3.049 20 0 FGADRP [NH3+]CCCn1ccc2cc(C(=O)N3CCC[C@@H]([NH+]4CCCC4)CC3)ccc21 ZINC000430812956 500289182 /nfs/dbraw/zinc/28/91/82/500289182.db2.gz YRBYUFZMXSBTJV-HXUWFJFHSA-N 2 0 368.525 3.081 20 0 FGADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C[C@@H](c1cccc(F)c1)N1CCOCC1 ZINC000422720832 500290237 /nfs/dbraw/zinc/29/02/37/500290237.db2.gz TYWPWXIZMFJVAW-UIFIKXQLSA-N 2 0 363.521 3.099 20 0 FGADRP C[N@H+](Cc1ccccc1C[NH2+][C@@H](C1CC1)[C@@H]1CNCCO1)C1CCCCC1 ZINC000422727682 500290974 /nfs/dbraw/zinc/29/09/74/500290974.db2.gz DBUWVZOKMZWEHW-GOTSBHOMSA-N 2 0 371.569 3.308 20 0 FGADRP CCOC(=O)C1([C@@H](C)[NH2+]Cc2ccc(Cl)cc2Cl)CC[NH2+]CC1 ZINC000422731997 500291569 /nfs/dbraw/zinc/29/15/69/500291569.db2.gz MYPFLHYZFFFJBV-GFCCVEGCSA-N 2 0 359.297 3.404 20 0 FGADRP CCOC(=O)C1([C@H](C)[NH2+]Cc2ccc(Cl)cc2Cl)CC[NH2+]CC1 ZINC000422731998 500291720 /nfs/dbraw/zinc/29/17/20/500291720.db2.gz MYPFLHYZFFFJBV-LBPRGKRZSA-N 2 0 359.297 3.404 20 0 FGADRP CCCCN1CCCC[C@@H]1C[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422739827 500292618 /nfs/dbraw/zinc/29/26/18/500292618.db2.gz LXOYWDHRNHOLGP-UZKOGDIHSA-N 2 0 357.542 3.487 20 0 FGADRP COc1ccccc1C1(C[NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)CCCC1 ZINC000422743346 500293362 /nfs/dbraw/zinc/29/33/62/500293362.db2.gz UBPAPGRENJYHNS-MISYRCLQSA-N 2 0 358.526 3.254 20 0 FGADRP COc1ccccc1[C@H](C[NH2+][C@H](C)c1ccc(C[NH3+])nc1C)N1CCCC1 ZINC000422742411 500293423 /nfs/dbraw/zinc/29/34/23/500293423.db2.gz GHJOLKHOTOHPKG-IERDGZPVSA-N 2 0 368.525 3.345 20 0 FGADRP C[C@@H]1C[C@H](N(C)C(=O)N[C@@H](C[NH3+])C2CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000418602960 500295880 /nfs/dbraw/zinc/29/58/80/500295880.db2.gz WFLFQBOSQSKOOQ-UIFIKXQLSA-N 2 0 372.557 3.198 20 0 FGADRP CCOC(=O)C1([C@H](C)[NH2+]Cc2csc(-c3ccccc3)n2)CC[NH2+]CC1 ZINC000422772175 500295933 /nfs/dbraw/zinc/29/59/33/500295933.db2.gz ZAMLJICLQDPKPY-HNNXBMFYSA-N 2 0 373.522 3.221 20 0 FGADRP CCOC(=O)C1([C@@H](C)[NH2+][C@H](C)c2ccc(OC(F)F)cc2)CC[NH2+]CC1 ZINC000422809225 500300528 /nfs/dbraw/zinc/30/05/28/500300528.db2.gz RKQMPLMGSVPOAT-ZIAGYGMSSA-N 2 0 370.440 3.260 20 0 FGADRP CC[C@H](C[NH2+][C@H](C)c1ccc(C[NH3+])nc1C)N1CCc2ccccc2C1 ZINC000422807533 500300600 /nfs/dbraw/zinc/30/06/00/500300600.db2.gz MNOXLYJDFRDMIX-IIBYNOLFSA-N 2 0 352.526 3.336 20 0 FGADRP Cc1ccc([C@@H]2OCCC[C@@H]2C[NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000422813666 500301383 /nfs/dbraw/zinc/30/13/83/500301383.db2.gz YKHHXKGTUWPYFA-LMYCIYFBSA-N 2 0 358.526 3.209 20 0 FGADRP Cc1cccc(N2CC[NH+](CCCC[NH2+][C@H]3CCCCC[C@H]3[NH3+])CC2)c1 ZINC000422815503 500302192 /nfs/dbraw/zinc/30/21/92/500302192.db2.gz XRLRVWBLXMYAQN-YADHBBJMSA-N 3 0 358.574 3.147 20 0 FGADRP FC(F)Oc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000422832159 500303167 /nfs/dbraw/zinc/30/31/67/500303167.db2.gz URRWQEZVASIQGL-CADBVGFASA-N 2 0 366.452 3.412 20 0 FGADRP CC[NH+](CC)CCCC1CCN(C(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)CC1 ZINC000418662639 500303392 /nfs/dbraw/zinc/30/33/92/500303392.db2.gz DSIJFEQFOHCWDU-MXVIHJGJSA-N 2 0 366.594 3.295 20 0 FGADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000422837101 500303852 /nfs/dbraw/zinc/30/38/52/500303852.db2.gz LJKZHGXWWKAICH-SGXKBVARSA-N 2 0 352.526 3.410 20 0 FGADRP OC1CC[NH+](Cc2ccccc2C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)CC1 ZINC000422840518 500304024 /nfs/dbraw/zinc/30/40/24/500304024.db2.gz TVVPSJYUUIVKGU-YTFSRNRJSA-N 3 0 371.569 3.044 20 0 FGADRP COc1ccccc1N1CCC([NH2+][C@@H](Cc2ccccc2)[C@H](C)[NH3+])CC1 ZINC000422838975 500304403 /nfs/dbraw/zinc/30/44/03/500304403.db2.gz PILAVEVWTHJRTG-PXNSSMCTSA-N 2 0 353.510 3.212 20 0 FGADRP Cc1ccc(CN(CC[NH+](C)C)C(=O)N[C@H](CCC[NH3+])c2ccccc2)o1 ZINC000418668272 500304732 /nfs/dbraw/zinc/30/47/32/500304732.db2.gz IDCKSSVUPUMJRT-HXUWFJFHSA-N 2 0 372.513 3.141 20 0 FGADRP C([NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1)C1(CN2CCOCC2)CCCCC1 ZINC000422845301 500304853 /nfs/dbraw/zinc/30/48/53/500304853.db2.gz BNVSIWYRAKRNJT-PCCBWWKXSA-N 2 0 363.590 3.170 20 0 FGADRP CC[NH+](CC)CCN(Cc1ccccc1)C(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000418673279 500305679 /nfs/dbraw/zinc/30/56/79/500305679.db2.gz VFPACPUJHBARDZ-MXVIHJGJSA-N 2 0 374.573 3.305 20 0 FGADRP CC1CCC([NH+]2CCN(C(=O)N[C@H](CCC[NH3+])c3ccccc3)CC2)CC1 ZINC000418676638 500305909 /nfs/dbraw/zinc/30/59/09/500305909.db2.gz QXXHMYRAKBMWSC-DQVLVPHSSA-N 2 0 372.557 3.373 20 0 FGADRP COc1ccccc1N1CC[C@H](C[NH2+][C@@H](Cc2ccccc2)[C@H](C)[NH3+])C1 ZINC000422851987 500306013 /nfs/dbraw/zinc/30/60/13/500306013.db2.gz PXUACVKBFNFUKB-SXLOBPIMSA-N 2 0 353.510 3.070 20 0 FGADRP COC[C@H](CCC[NH3+])[NH2+][C@@H](C)c1cccc(NC(=O)c2ccccc2)c1 ZINC000422860843 500306613 /nfs/dbraw/zinc/30/66/13/500306613.db2.gz LXJLWEALCLCDLO-JXFKEZNVSA-N 2 0 355.482 3.343 20 0 FGADRP C[C@@H]([NH3+])C1CC[NH+](CC(=O)N(C)Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000430929161 500308669 /nfs/dbraw/zinc/30/86/69/500308669.db2.gz WPQMNCNEMDFLDW-GFCCVEGCSA-N 2 0 358.313 3.011 20 0 FGADRP CCCOc1cc(C)ccc1C[NH2+][C@H](C)C1(C(=O)OCC)CC[NH2+]CC1 ZINC000422875137 500309039 /nfs/dbraw/zinc/30/90/39/500309039.db2.gz OKFMUMSGRQBNHQ-QGZVFWFLSA-N 2 0 362.514 3.195 20 0 FGADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]CC(C)(C)c1cccc(Br)c1 ZINC000422879589 500309528 /nfs/dbraw/zinc/30/95/28/500309528.db2.gz MQJMNAIODBERFK-APHBMKBZSA-N 2 0 355.320 3.069 20 0 FGADRP C[C@H](C[C@H](C)[NH3+])[NH2+][C@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1 ZINC000422887476 500310547 /nfs/dbraw/zinc/31/05/47/500310547.db2.gz YUPMIFXEUNTIQN-WOSRLPQWSA-N 2 0 357.420 3.084 20 0 FGADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]C1CCN(Cc2ccc(Br)cc2)CC1 ZINC000422890056 500311424 /nfs/dbraw/zinc/31/14/24/500311424.db2.gz HSELBRCDXKBXGB-MAUKXSAKSA-N 2 0 366.347 3.131 20 0 FGADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]C1CCN(Cc2ccc(Br)cc2)CC1 ZINC000422890055 500311533 /nfs/dbraw/zinc/31/15/33/500311533.db2.gz HSELBRCDXKBXGB-CRAIPNDOSA-N 2 0 366.347 3.131 20 0 FGADRP COc1ccc(Cn2nc(C)c(C[NH+]3CCC4(CC[NH2+]C4)CC3)c2C)cc1 ZINC000430948115 500311793 /nfs/dbraw/zinc/31/17/93/500311793.db2.gz DSBNDRVOQLYLOP-UHFFFAOYSA-N 2 0 368.525 3.132 20 0 FGADRP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@@H]1CCC[C@H]([NH3+])C1 ZINC000418715876 500311950 /nfs/dbraw/zinc/31/19/50/500311950.db2.gz BPOYHTCFPUKGRB-NJYVYQBISA-N 2 0 372.557 3.058 20 0 FGADRP CC[C@H]([NH2+]C[C@H]1CCN(c2cccc(Br)c2)C1)[C@@H]1CCC[NH2+]1 ZINC000422899690 500312936 /nfs/dbraw/zinc/31/29/36/500312936.db2.gz OXLJXSJPTAIPOR-JLSDUUJJSA-N 2 0 366.347 3.396 20 0 FGADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]C1CCN(Cc2ccc(Br)cc2)CC1 ZINC000422896987 500313174 /nfs/dbraw/zinc/31/31/74/500313174.db2.gz ZAYUPSOVLOQBNV-KGLIPLIRSA-N 2 0 354.336 3.129 20 0 FGADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@H](C)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000422901273 500313568 /nfs/dbraw/zinc/31/35/68/500313568.db2.gz RUPWUOWKCONVLI-MBOZVWFJSA-N 2 0 373.541 3.305 20 0 FGADRP C[C@@H]1CN(Cc2cccc(C[NH2+][C@@H]3CCC[C@H]3[C@H]3CCCC[NH2+]3)c2)CCO1 ZINC000422903406 500314131 /nfs/dbraw/zinc/31/41/31/500314131.db2.gz OMRMMGSABLHUPM-YJSIEXFISA-N 2 0 371.569 3.308 20 0 FGADRP CCOc1ccc([C@H](C)NC(=O)CCC[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])cc1 ZINC000422930733 500318607 /nfs/dbraw/zinc/31/86/07/500318607.db2.gz VRVBLBOXWTVMBI-ILZDJORESA-N 2 0 361.530 3.150 20 0 FGADRP C[C@@H]([NH2+]C[C@H]1CCN(c2ccc(Br)cc2)C1)[C@H]1CCC[NH2+]1 ZINC000422942052 500321149 /nfs/dbraw/zinc/32/11/49/500321149.db2.gz JYOUBAGZYGRITE-CKEIUWERSA-N 2 0 352.320 3.006 20 0 FGADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]C[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000422943486 500321296 /nfs/dbraw/zinc/32/12/96/500321296.db2.gz LRQBWOBEULDYNP-IIDMSEBBSA-N 2 0 366.347 3.253 20 0 FGADRP C[C@@H](NC(=O)[C@@H](C)[NH+]1CCC2(CC[NH2+]C2)CC1)c1ccc2c(c1)CCCC2 ZINC000431012964 500322858 /nfs/dbraw/zinc/32/28/58/500322858.db2.gz HGJXARHTXQSIGT-QZTJIDSGSA-N 2 0 369.553 3.207 20 0 FGADRP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2ccc3c(ccn3CCC[NH3+])c2)C1 ZINC000431033582 500326533 /nfs/dbraw/zinc/32/65/33/500326533.db2.gz JATKFNGNGSGRBZ-KRWDZBQOSA-N 2 0 370.541 3.230 20 0 FGADRP CCOC(=O)C1([C@H](C)[NH2+][C@H]2CCC[C@H]2OCc2ccccc2)CC[NH2+]CC1 ZINC000422986365 500327058 /nfs/dbraw/zinc/32/70/58/500327058.db2.gz CGKOJGDIMPICLI-YSIASYRMSA-N 2 0 374.525 3.035 20 0 FGADRP COc1cccc(COCC[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000422999987 500328915 /nfs/dbraw/zinc/32/89/15/500328915.db2.gz GKLMCESXCCDTMK-RBBKRZOGSA-N 2 0 368.477 3.057 20 0 FGADRP CCc1ccc([C@H](CO)[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422998480 500329060 /nfs/dbraw/zinc/32/90/60/500329060.db2.gz CXDDOAOJLUQHBZ-URVUXULASA-N 2 0 352.478 3.128 20 0 FGADRP COC[C@H](CCC[NH3+])[NH2+]CCc1csc(-c2ccc(Cl)cc2)n1 ZINC000423016488 500331228 /nfs/dbraw/zinc/33/12/28/500331228.db2.gz TUBYBTBHWGYXGG-HNNXBMFYSA-N 2 0 353.919 3.350 20 0 FGADRP [NH3+][C@@H]1C[C@@H]([NH2+]CCc2ccc(OCC(F)(F)F)nc2)c2ccccc21 ZINC000423046041 500334930 /nfs/dbraw/zinc/33/49/30/500334930.db2.gz CXTWSBGCLUPJDX-HZPDHXFCSA-N 2 0 351.372 3.300 20 0 FGADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]C1CCN(C(=O)c2ccccc2C(F)(F)F)CC1 ZINC000423047835 500335350 /nfs/dbraw/zinc/33/53/50/500335350.db2.gz HGJIWASLAFQPNA-SUMWQHHRSA-N 2 0 369.431 3.027 20 0 FGADRP C[C@@H](CCCC[NH3+])[NH2+]C1CCN(C(=O)c2ccccc2C(F)(F)F)CC1 ZINC000423056987 500336911 /nfs/dbraw/zinc/33/69/11/500336911.db2.gz YQCXWYVLHMOXBT-AWEZNQCLSA-N 2 0 371.447 3.417 20 0 FGADRP Fc1cccc2c1OCC[C@@H]2[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423061898 500336998 /nfs/dbraw/zinc/33/69/98/500336998.db2.gz RWDQRKUQMYXCJH-UEXGIBASSA-N 2 0 354.425 3.495 20 0 FGADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@@]1(Cc2ccc(F)cc2)CCC[C@H]1O ZINC000423071580 500338471 /nfs/dbraw/zinc/33/84/71/500338471.db2.gz FQBSSZWCBWMPMZ-ARBPTSGCSA-N 2 0 371.500 3.412 20 0 FGADRP FC(F)(F)c1ccc(OCCC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)nc1 ZINC000423077885 500339001 /nfs/dbraw/zinc/33/90/01/500339001.db2.gz NDCDVHCUXWCOIT-XHSDSOJGSA-N 2 0 357.420 3.380 20 0 FGADRP C[C@H](CCC[NH3+])[NH2+]Cc1ccc(Cl)cc1I ZINC000423079475 500339152 /nfs/dbraw/zinc/33/91/52/500339152.db2.gz AERJRPWYRRLRQC-SECBINFHSA-N 2 0 352.647 3.162 20 0 FGADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000423088071 500340659 /nfs/dbraw/zinc/34/06/59/500340659.db2.gz PJJWESIHSBROFK-YSVLISHTSA-N 2 0 352.320 3.135 20 0 FGADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+][C@H]1C[C@H](c2ccc(F)c(Br)c2)C1 ZINC000423093047 500341312 /nfs/dbraw/zinc/34/13/12/500341312.db2.gz FNBCYGZJFSTGPE-MXJLERKLSA-N 2 0 371.294 3.176 20 0 FGADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)NCc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000423097111 500341768 /nfs/dbraw/zinc/34/17/68/500341768.db2.gz AJDXTUKLJGOTGK-MBSDFSHPSA-N 2 0 367.537 3.208 20 0 FGADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]Cc1cnc(-c2ccc(Cl)cc2)s1 ZINC000423104353 500342355 /nfs/dbraw/zinc/34/23/55/500342355.db2.gz LXMGHXNOVWIGCA-XZJROXQQSA-N 2 0 351.903 3.305 20 0 FGADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H](Cc1ccc(F)cc1)[C@H]1COc2ccccc2O1 ZINC000423121329 500345373 /nfs/dbraw/zinc/34/53/73/500345373.db2.gz AUOJZCIWCMSVCD-YAUSHBINSA-N 2 0 358.457 3.292 20 0 FGADRP CC(C)C[C@@H](CN1CCCC1)[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423144506 500347677 /nfs/dbraw/zinc/34/76/77/500347677.db2.gz HGPIPTOWTZLDOS-VCOUNFBDSA-N 3 0 357.542 3.342 20 0 FGADRP CCOC(=O)C1([C@H](C)[NH2+][C@H]2CCCc3c(F)cc(F)cc32)CC[NH2+]CC1 ZINC000423144521 500347831 /nfs/dbraw/zinc/34/78/31/500347831.db2.gz HHXJDFZMJAINIK-UGSOOPFHSA-N 2 0 366.452 3.253 20 0 FGADRP CCOC(=O)C1([C@@H](C)[NH2+][C@H]2CCCC[C@H]2CC(F)(F)F)CC[NH2+]CC1 ZINC000423150141 500348619 /nfs/dbraw/zinc/34/86/19/500348619.db2.gz BALOMXISUFDZBA-ILXRZTDVSA-N 2 0 364.452 3.409 20 0 FGADRP Clc1ccc(OCC[NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)cc1Cl ZINC000423154739 500349184 /nfs/dbraw/zinc/34/91/84/500349184.db2.gz IDCLPULLMKLTGK-RRQGHBQHSA-N 2 0 359.297 3.119 20 0 FGADRP Cc1c(Br)cccc1C[C@H](CO)C[NH2+]C1CCC(C[NH3+])CC1 ZINC000423167062 500350604 /nfs/dbraw/zinc/35/06/04/500350604.db2.gz WDXRIRHQUACXJC-CKDBGZEDSA-N 2 0 369.347 3.016 20 0 FGADRP Fc1ccc(-c2nc3c(s2)[C@@H]([NH2+]CCCN2CC[NH2+]CC2)CCC3)cc1 ZINC000423176820 500351963 /nfs/dbraw/zinc/35/19/63/500351963.db2.gz HZWKIFNKZPGLHP-KRWDZBQOSA-N 2 0 374.529 3.212 20 0 FGADRP C[C@@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[NH2+]C1CC[NH2+]CC1 ZINC000423193060 500353959 /nfs/dbraw/zinc/35/39/59/500353959.db2.gz WJQIIKYBMXDZMI-JTQLQIEISA-N 2 0 363.811 3.418 20 0 FGADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]C1CCN(Cc2cccc(Br)c2)CC1 ZINC000423193216 500354073 /nfs/dbraw/zinc/35/40/73/500354073.db2.gz VLMKVXATEDYOBK-ZIAGYGMSSA-N 2 0 354.336 3.129 20 0 FGADRP C[C@@H]([NH3+])c1ccc(C(=O)N(C)[C@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000423316200 500363031 /nfs/dbraw/zinc/36/30/31/500363031.db2.gz ASAGLRISZCLTKD-UTKZUKDTSA-N 2 0 351.494 3.443 20 0 FGADRP C[NH+](C)CCOc1ccc(NC(=O)C(C)(C)[C@H]([NH3+])c2ccccc2)cc1 ZINC000423314757 500363403 /nfs/dbraw/zinc/36/34/03/500363403.db2.gz HQUQHNNINPCIRQ-LJQANCHMSA-N 2 0 355.482 3.292 20 0 FGADRP COCC[NH2+]CCN[C@H]1c2cc(Br)ccc2SC[C@@H]1C ZINC000423319554 500364048 /nfs/dbraw/zinc/36/40/48/500364048.db2.gz CMOXJFKADJSMGF-XHDPSFHLSA-N 2 0 359.333 3.058 20 0 FGADRP C[C@H]([NH2+]CC1(C)CC[NH2+]CC1)c1ccccc1I ZINC000423343847 500365982 /nfs/dbraw/zinc/36/59/82/500365982.db2.gz XIYIDJLXVFCSMI-LBPRGKRZSA-N 2 0 358.267 3.332 20 0 FGADRP C[C@@H]([NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc2ccccc2c1 ZINC000423372183 500368011 /nfs/dbraw/zinc/36/80/11/500368011.db2.gz AWZOMQFEGOCDSP-KDOFPFPSSA-N 2 0 351.416 3.327 20 0 FGADRP C[C@H]([NH3+])c1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000423387644 500369667 /nfs/dbraw/zinc/36/96/67/500369667.db2.gz SSKABVRWLWIXHG-XGHQBKJUSA-N 2 0 351.494 3.489 20 0 FGADRP C[C@H]([NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc(C(F)(F)F)cc1 ZINC000423393884 500370456 /nfs/dbraw/zinc/37/04/56/500370456.db2.gz RMZQMHYCMJYGSL-FZMZJTMJSA-N 2 0 369.353 3.192 20 0 FGADRP COCC1(C[NH2+][C@@H]2CCc3c2c(Br)ccc3F)CC[NH2+]CC1 ZINC000423406173 500370938 /nfs/dbraw/zinc/37/09/38/500370938.db2.gz KEJOWMABXCFFNL-OAHLLOKOSA-N 2 0 371.294 3.181 20 0 FGADRP COC[C@]1(C[NH2+][C@H]2CCCC[C@@H]2c2ccc(OC)c(F)c2)CCC[NH2+]1 ZINC000423414841 500372411 /nfs/dbraw/zinc/37/24/11/500372411.db2.gz CPLUWTKCWWFVOW-IMFGXOCKSA-N 2 0 350.478 3.219 20 0 FGADRP C[C@@H]([NH2+]C[C@@H]1NCCc2ccccc21)c1cccc(OCC[NH+](C)C)c1 ZINC000423436656 500374684 /nfs/dbraw/zinc/37/46/84/500374684.db2.gz SYIKNIVCYVIJBJ-VGSWGCGISA-N 2 0 353.510 3.165 20 0 FGADRP Cc1c([C@@H](C)[NH2+][C@H](C)CCC[NH3+])nnn1-c1cccc(Br)c1 ZINC000423455307 500375984 /nfs/dbraw/zinc/37/59/84/500375984.db2.gz MJLZLNXCZXIMLT-VXGBXAGGSA-N 2 0 366.307 3.116 20 0 FGADRP C[C@H]([NH2+]C[C@H]1CCC[C@H]([NH3+])C1)c1ccc(I)cc1 ZINC000423462438 500376395 /nfs/dbraw/zinc/37/63/95/500376395.db2.gz PGLGXQHYGHYISP-HUBLWGQQSA-N 2 0 358.267 3.459 20 0 FGADRP c1c2c(cc3c1OCCC[C@@H]3[NH2+]C1CCC([NH+]3CCNCC3)CC1)CCC2 ZINC000423505406 500380136 /nfs/dbraw/zinc/38/01/36/500380136.db2.gz HRGKXZSTYTYHPA-AOMIVXANSA-N 2 0 369.553 3.195 20 0 FGADRP Clc1ccc2c(c1)[C@H]([NH2+]C1CCC([NH+]3CCNCC3)CC1)CCCO2 ZINC000423526195 500382250 /nfs/dbraw/zinc/38/22/50/500382250.db2.gz ZBJRRYTVHGSGIJ-FAFZWHIHSA-N 2 0 363.933 3.360 20 0 FGADRP Fc1cccc(Cl)c1CN1CCC([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000423547625 500384133 /nfs/dbraw/zinc/38/41/33/500384133.db2.gz QCPJREKEBGSZIE-BFYDXBDKSA-N 2 0 365.924 3.421 20 0 FGADRP NC1(C[NH2+][C@H](c2cncc(F)c2)C2CC2)CC[NH+](Cc2ccccc2)CC1 ZINC000423564056 500384735 /nfs/dbraw/zinc/38/47/35/500384735.db2.gz KXGSEANFGNVWPU-NRFANRHFSA-N 2 0 368.500 3.255 20 0 FGADRP CCC1(CC)[C@H]([NH2+]CC2(N)CC[NH+](Cc3ccccc3)CC2)C[C@H]1OC ZINC000423554298 500384938 /nfs/dbraw/zinc/38/49/38/500384938.db2.gz HAICAXKPUXARMP-WOJBJXKFSA-N 2 0 359.558 3.163 20 0 FGADRP COC1CCC([NH2+]Cc2c(Cl)cccc2N2CC[NH+](C)CC2)CC1 ZINC000419784502 500397701 /nfs/dbraw/zinc/39/77/01/500397701.db2.gz QTUVVPHVWBKFGV-UHFFFAOYSA-N 2 0 351.922 3.139 20 0 FGADRP O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC000431656062 500404249 /nfs/dbraw/zinc/40/42/49/500404249.db2.gz UFEHZECTOXFFTE-FPOVZHCZSA-N 2 0 355.526 3.174 20 0 FGADRP CC(C)[N@@H+]1CCCN(C(=O)N[C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000431675272 500406807 /nfs/dbraw/zinc/40/68/07/500406807.db2.gz XIYJVPGGFVKKBZ-FPOVZHCZSA-N 2 0 372.557 3.165 20 0 FGADRP CC1(C)CCC[NH2+][C@@H]1C(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000423839071 500409957 /nfs/dbraw/zinc/40/99/57/500409957.db2.gz CKQRBRNCDATTBP-HXUWFJFHSA-N 2 0 369.553 3.279 20 0 FGADRP O=C(CC[C@@H]1CCC[NH2+]1)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000423854679 500412375 /nfs/dbraw/zinc/41/23/75/500412375.db2.gz VDRXMLLMQSXDSX-FQEVSTJZSA-N 2 0 355.526 3.033 20 0 FGADRP C[C@@H](NC(=O)c1ccc([C@H](C)[NH3+])cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423868337 500414365 /nfs/dbraw/zinc/41/43/65/500414365.db2.gz NDELAXKEACJMLV-FVJLSDCUSA-N 2 0 351.494 3.347 20 0 FGADRP [NH3+]C1(C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)CCCCC1 ZINC000423914462 500418920 /nfs/dbraw/zinc/41/89/20/500418920.db2.gz XXGGPQXHVAPLRY-VQTJNVASSA-N 2 0 355.526 3.161 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)C[C@H](c1ccccc1)[NH+](C)C)c1ccco1 ZINC000431781075 500424112 /nfs/dbraw/zinc/42/41/12/500424112.db2.gz ISQMGBWMPWVQRP-MOPGFXCFSA-N 2 0 357.498 3.472 20 0 FGADRP CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000431795793 500426174 /nfs/dbraw/zinc/42/61/74/500426174.db2.gz HVLUWDVNOBTQPQ-LEWJYISDSA-N 2 0 374.573 3.448 20 0 FGADRP COc1ccc(NC(=O)[C@@H](c2ccccc2)[NH+]2CCC(C[NH3+])CC2)cc1 ZINC000420274550 500432404 /nfs/dbraw/zinc/43/24/04/500432404.db2.gz OWKXRYITZAVDIH-HXUWFJFHSA-N 2 0 353.466 3.046 20 0 FGADRP O=C(N[C@@H]1CCC[N@H+](CC[C@H]2CCC[NH2+]C2)C1)c1ccc2ccccc2c1 ZINC000420296763 500435824 /nfs/dbraw/zinc/43/58/24/500435824.db2.gz DTZDRWFBVBKCFO-XMSQKQJNSA-N 2 0 365.521 3.424 20 0 FGADRP COc1ccc(NC(=O)[C@H](c2ccccc2)N2C[C@@H](C[NH3+])C[C@@H]2C)cc1 ZINC000420311481 500438996 /nfs/dbraw/zinc/43/89/96/500438996.db2.gz HCIQXLCTFJYJFO-YRNRMSPPSA-N 2 0 353.466 3.044 20 0 FGADRP CC(C)(C)c1ccc(OCCC[N@@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)cc1 ZINC000420325031 500441849 /nfs/dbraw/zinc/44/18/49/500441849.db2.gz HWQGGXGLBGJGID-LJQANCHMSA-N 2 0 360.542 3.440 20 0 FGADRP O=C1[C@H]([N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)CCCN1c1ccccc1Cl ZINC000420330583 500442461 /nfs/dbraw/zinc/44/24/61/500442461.db2.gz QEZQHISFTCOWAA-FRQCXROJSA-N 2 0 361.917 3.157 20 0 FGADRP C[C@@H](C(=O)Nc1cccc(Cl)c1Cl)[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420328702 500442696 /nfs/dbraw/zinc/44/26/96/500442696.db2.gz FLGHACVIDVUTPO-RWMBFGLXSA-N 2 0 356.297 3.252 20 0 FGADRP CCCN(Cc1ccc(C)cc1)C(=O)C[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420335005 500444054 /nfs/dbraw/zinc/44/40/54/500444054.db2.gz HAMYLCNKWNJHDH-RTWAWAEBSA-N 2 0 357.542 3.055 20 0 FGADRP Cc1nc([C@@H](C)[N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)oc1-c1ccc(Cl)cc1 ZINC000420347285 500446126 /nfs/dbraw/zinc/44/61/26/500446126.db2.gz GJKKBKWFSJMJIE-CRAIPNDOSA-N 2 0 374.916 3.344 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC000573446636 506196319 /nfs/dbraw/zinc/19/63/19/506196319.db2.gz LWPBBWBCWFCKOZ-BVYCBKJFSA-N 2 0 369.553 3.420 20 0 FGADRP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](CCOc2ccccc2C(F)(F)F)CC1 ZINC000420381888 500451925 /nfs/dbraw/zinc/45/19/25/500451925.db2.gz PFUYLYHLHAPLHC-SJLPKXTDSA-N 2 0 372.431 3.303 20 0 FGADRP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](CCOc2ccc(C(F)(F)F)cc2)CC1 ZINC000420389023 500453666 /nfs/dbraw/zinc/45/36/66/500453666.db2.gz XSYVFOZQEDZKKH-MSOLQXFVSA-N 2 0 372.431 3.303 20 0 FGADRP Cc1ccc(-c2cnc(C[NH+]3CCC([C@H]4OCCC[C@@H]4[NH3+])CC3)o2)cc1 ZINC000420389714 500453811 /nfs/dbraw/zinc/45/38/11/500453811.db2.gz YMUIZBVCFFLQII-GHTZIAJQSA-N 2 0 355.482 3.368 20 0 FGADRP C[C@H]([NH2+]CC[C@@H]1CCC[NH2+]C1)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000420416917 500457272 /nfs/dbraw/zinc/45/72/72/500457272.db2.gz WBFZKOPLBHILTK-IRXDYDNUSA-N 2 0 352.482 3.374 20 0 FGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]CC[C@H]2CCC[NH2+]C2)CC1 ZINC000420415291 500457417 /nfs/dbraw/zinc/45/74/17/500457417.db2.gz VARZDKFFGSCMGQ-ZWKOTPCHSA-N 3 0 362.537 3.008 20 0 FGADRP CC[NH+]1CCN(CCCC[NH2+][C@H](C)c2ccc(OC)cc2Cl)CC1 ZINC000424260749 500477043 /nfs/dbraw/zinc/47/70/43/500477043.db2.gz DLYCDCSOYMZGMZ-MRXNPFEDSA-N 2 0 353.938 3.417 20 0 FGADRP C[C@H]1CC2(C[N@@H+]1CC(=O)N[C@H](c1cccs1)C(C)(C)C)CC[NH2+]CC2 ZINC000424288629 500481600 /nfs/dbraw/zinc/48/16/00/500481600.db2.gz KUTHLVIMBUGDRL-MAUKXSAKSA-N 2 0 363.571 3.416 20 0 FGADRP C[C@@H]1CC2(C[N@@H+]1Cc1nnc(-c3ccc(Cl)cc3)n1C)CC[NH2+]CC2 ZINC000424294418 500482583 /nfs/dbraw/zinc/48/25/83/500482583.db2.gz QFWHGQHTLXCCST-CQSZACIVSA-N 2 0 359.905 3.100 20 0 FGADRP C[C@H]1CC2(C[N@@H+]1Cc1nnc(-c3ccc(Cl)cc3)n1C)CC[NH2+]CC2 ZINC000424294417 500482748 /nfs/dbraw/zinc/48/27/48/500482748.db2.gz QFWHGQHTLXCCST-AWEZNQCLSA-N 2 0 359.905 3.100 20 0 FGADRP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+][C@H](Cc1ccncc1)c1cccs1 ZINC000424320883 500486247 /nfs/dbraw/zinc/48/62/47/500486247.db2.gz TVTNCISQTXIVHY-RBUKOAKNSA-N 2 0 359.539 3.253 20 0 FGADRP OC[C@H]1CCC[N@@H+]1CCCC[NH2+][C@@H](Cc1ccncc1)c1cccs1 ZINC000424320879 500486350 /nfs/dbraw/zinc/48/63/50/500486350.db2.gz TVTNCISQTXIVHY-MOPGFXCFSA-N 2 0 359.539 3.253 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)NC1CCC([NH+](C)C)CC1)Cc1ccccc1 ZINC000420775694 500498198 /nfs/dbraw/zinc/49/81/98/500498198.db2.gz CHJYNLFIIVFQFF-CBNMVNINSA-N 2 0 374.573 3.112 20 0 FGADRP Cc1cc(C[NH3+])cc(NC(=O)N2CC[N@H+](Cc3ccccc3)C[C@@H](C)C2)c1 ZINC000424412420 500500045 /nfs/dbraw/zinc/50/00/45/500500045.db2.gz ANNNJOFMTBQIQG-GOSISDBHSA-N 2 0 366.509 3.440 20 0 FGADRP C[C@@H]([NH2+]Cc1ccc(CN2CCOCC2)cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000420931230 500534261 /nfs/dbraw/zinc/53/42/61/500534261.db2.gz GISJMXCDEKONEP-DENIHFKCSA-N 2 0 371.569 3.261 20 0 FGADRP CC[NH+]1CCC(N2CCC[N@H+](C[C@H]3CCc4ccccc4C3)CC2)CC1 ZINC000420977073 500545214 /nfs/dbraw/zinc/54/52/14/500545214.db2.gz HQTMBQQEVLJZSB-FQEVSTJZSA-N 2 0 355.570 3.284 20 0 FGADRP CC[NH+]1CCC(N2CCC[N@H+](Cc3cccc(OC(C)C)c3)CC2)CC1 ZINC000420977061 500545599 /nfs/dbraw/zinc/54/55/99/500545599.db2.gz HPCMIUIMDZOZBZ-UHFFFAOYSA-N 2 0 359.558 3.466 20 0 FGADRP CC[NH+]1CCC(N2CCC[N@H+](CCCOc3ccc(F)cc3)CC2)CC1 ZINC000420977379 500546095 /nfs/dbraw/zinc/54/60/95/500546095.db2.gz HXSNQHMKDLPNTF-UHFFFAOYSA-N 2 0 363.521 3.087 20 0 FGADRP [NH3+]C[C@@H]1C[N@H+](CCCOc2cccc(C(F)(F)F)c2)CC12CCOCC2 ZINC000576637539 506203578 /nfs/dbraw/zinc/20/35/78/506203578.db2.gz KVTBYTBGMADFRM-MRXNPFEDSA-N 2 0 372.431 3.162 20 0 FGADRP COc1cc(-c2nc(C[NH+]3CCC(C[NH+](C)C)CC3)cs2)ccc1O ZINC000436938309 500574818 /nfs/dbraw/zinc/57/48/18/500574818.db2.gz UGQVHTZMDPQUQC-UHFFFAOYSA-N 2 0 361.511 3.298 20 0 FGADRP Cc1ccc(NC(=O)CC[N@@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)nc1 ZINC000447300583 500587259 /nfs/dbraw/zinc/58/72/59/500587259.db2.gz DJYNGPJWUXWCHJ-HXUWFJFHSA-N 2 0 366.509 3.173 20 0 FGADRP CN(c1ccccc1)c1ccc(C[NH+]2CCC(OCC[NH+](C)C)CC2)cn1 ZINC000437151172 500607746 /nfs/dbraw/zinc/60/77/46/500607746.db2.gz YIZCUFUWUYGDQE-UHFFFAOYSA-N 2 0 368.525 3.392 20 0 FGADRP COCCOc1ccc([C@@H](C)[NH2+]CC2CC[NH+](C3CC3)CC2)cc1OC ZINC000447558052 500624311 /nfs/dbraw/zinc/62/43/11/500624311.db2.gz OITRYBIXWZFRFN-MRXNPFEDSA-N 2 0 362.514 3.245 20 0 FGADRP CN(Cc1cccc(Cl)c1Cl)C(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433121174 500630740 /nfs/dbraw/zinc/63/07/40/500630740.db2.gz QPLODQJOKQULJV-UHFFFAOYSA-N 2 0 358.313 3.155 20 0 FGADRP [NH3+]C1CC[NH+](CCCC(=O)NC2(c3ccc(Cl)cc3)CCCC2)CC1 ZINC000433125888 500631235 /nfs/dbraw/zinc/63/12/35/500631235.db2.gz AJAHTXBZWNLJFW-UHFFFAOYSA-N 2 0 363.933 3.429 20 0 FGADRP CC(C)OCC[C@H](O)C[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433128205 500631553 /nfs/dbraw/zinc/63/15/53/500631553.db2.gz WEWZJBJCWXZYTI-NRFANRHFSA-N 2 0 360.542 3.151 20 0 FGADRP [NH3+]C1CC[NH+](CCCC(=O)N[C@H]2CCc3c2ccc(Cl)c3Cl)CC1 ZINC000433129539 500632262 /nfs/dbraw/zinc/63/22/62/500632262.db2.gz ZUEDDMCOJSOJQG-INIZCTEOSA-N 2 0 370.324 3.300 20 0 FGADRP C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)CCC[NH+]3CCC([NH3+])CC3)cc2)C1 ZINC000433138414 500633789 /nfs/dbraw/zinc/63/37/89/500633789.db2.gz SGGIOVPZJFXXFY-GOSISDBHSA-N 3 0 372.557 3.060 20 0 FGADRP C[N@@H+]1CCN(CC[NH2+][C@H]2CCCc3ncc(C(F)(F)F)cc32)CC1(C)C ZINC000442866927 500636519 /nfs/dbraw/zinc/63/65/19/500636519.db2.gz JPFANJZJAZTDKS-INIZCTEOSA-N 2 0 370.463 3.093 20 0 FGADRP CC(C)N(Cc1cccc(Cl)c1)C(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433163690 500637158 /nfs/dbraw/zinc/63/71/58/500637158.db2.gz CGJDLCHCUHKATA-UHFFFAOYSA-N 2 0 351.922 3.280 20 0 FGADRP CN(c1ccccc1C[NH2+]CC1(CO)CC2(CCC2)C1)C1CC[NH+](C)CC1 ZINC000433202577 500645736 /nfs/dbraw/zinc/64/57/36/500645736.db2.gz RPKOAEBCRWJPSM-UHFFFAOYSA-N 2 0 371.569 3.249 20 0 FGADRP [NH3+]CCC[C@@H](NC(=O)C1CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000573563377 506212409 /nfs/dbraw/zinc/21/24/09/506212409.db2.gz YLXBKBPMBQTGDQ-JOCHJYFZSA-N 2 0 365.521 3.495 20 0 FGADRP Cc1nn(C)c(C[NH2+]CCCC[NH+]2CCC(C)CC2)c1Br ZINC000447936710 500692530 /nfs/dbraw/zinc/69/25/30/500692530.db2.gz RHGASPLLVOKOPZ-UHFFFAOYSA-N 2 0 357.340 3.093 20 0 FGADRP C[C@H]1C[N@H+](CCOc2ccc(CC[NH2+]CC[C@@H]3CCOC3)cc2)C[C@H]1C ZINC000437776312 500693820 /nfs/dbraw/zinc/69/38/20/500693820.db2.gz PDEXMSJZURTRKU-SVFBPWRDSA-N 2 0 360.542 3.212 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)c1ccsc1 ZINC000443232189 500699192 /nfs/dbraw/zinc/69/91/92/500699192.db2.gz BAKJBCHQSMUBPQ-RDJZCZTQSA-N 2 0 368.591 3.407 20 0 FGADRP c1ccc([C@H](CNc2cc(N3CCSCC3)ncn2)[NH+]2CCCC2)cc1 ZINC000433621535 500722624 /nfs/dbraw/zinc/72/26/24/500722624.db2.gz JUDJAYXIEDDTDL-SFHVURJKSA-N 2 0 369.538 3.279 20 0 FGADRP COCC[N@H+](C)CCCC1CC[NH+](Cc2ccnn2-c2ccccc2)CC1 ZINC000448345470 500750484 /nfs/dbraw/zinc/75/04/84/500750484.db2.gz SUYQNIPOEXWTTH-UHFFFAOYSA-N 2 0 370.541 3.443 20 0 FGADRP Cc1ccc(C[NH2+]CCCN2CCN(c3cc[nH+]cc3)CC2)cc1Cl ZINC000443978899 500786262 /nfs/dbraw/zinc/78/62/62/500786262.db2.gz NIIRSRAWSSIMCZ-UHFFFAOYSA-N 2 0 358.917 3.345 20 0 FGADRP C[NH+](C)CC1CCC([NH2+]C[C@H](O)Cc2ccccc2C(F)(F)F)CC1 ZINC000582416038 506217521 /nfs/dbraw/zinc/21/75/21/506217521.db2.gz SNKGMHJNWIXMBW-BDVYOWHSSA-N 2 0 358.448 3.319 20 0 FGADRP C[C@@H]([NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1)[C@@H](C)N1CCOCC1 ZINC000438839813 500825259 /nfs/dbraw/zinc/82/52/59/500825259.db2.gz VXAFBPDZNFRJCO-RVEPMOMFSA-N 2 0 359.558 3.128 20 0 FGADRP CC[N@H+](Cc1ccc(C(=O)NC[C@H]2CCCC[NH+]2C2CC2)cc1)C1CC1 ZINC000434420832 500840536 /nfs/dbraw/zinc/84/05/36/500840536.db2.gz IILVFWAETOLVLQ-OAQYLSRUSA-N 2 0 355.526 3.418 20 0 FGADRP COc1cc(C)ccc1C[NH2+]Cc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000449082746 500920186 /nfs/dbraw/zinc/92/01/86/500920186.db2.gz PQOQJEBURLILQK-UHFFFAOYSA-N 2 0 353.510 3.041 20 0 FGADRP C[C@H](C[NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1)c1cc(F)cc(F)c1 ZINC000449106169 500926616 /nfs/dbraw/zinc/92/66/16/500926616.db2.gz HCERKGIYHNYWSU-QGZVFWFLSA-N 2 0 374.479 3.265 20 0 FGADRP CC[C@H]1C[C@H]([NH2+]Cc2c(Cl)cccc2N2CC[NH+](C)CC2)CCO1 ZINC000449166670 500938828 /nfs/dbraw/zinc/93/88/28/500938828.db2.gz FMQDENQBEYIVFO-CVEARBPZSA-N 2 0 351.922 3.139 20 0 FGADRP CCC1(C[NH2+]Cc2ccnc(OC)n2)CC[NH+](Cc2ccccc2)CC1 ZINC000449214561 500949790 /nfs/dbraw/zinc/94/97/90/500949790.db2.gz LQRCNYBPVRSGRJ-UHFFFAOYSA-N 2 0 354.498 3.267 20 0 FGADRP CC[NH+]1CCN(CCC[NH2+][C@H](C)COc2ccc(Cl)c(Cl)c2)CC1 ZINC000449220384 500950971 /nfs/dbraw/zinc/95/09/71/500950971.db2.gz PUCJOWFTWKUCKT-OAHLLOKOSA-N 2 0 374.356 3.378 20 0 FGADRP COc1cc(F)cc(C[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H]2CO)c1 ZINC000449231722 500953266 /nfs/dbraw/zinc/95/32/66/500953266.db2.gz FSYZQWMBUJGQJQ-FQEVSTJZSA-N 2 0 358.457 3.081 20 0 FGADRP CCO[C@@H]1C[C@H]([NH2+]C2CC[NH+]([C@H](C)Cc3ccccc3)CC2)[C@]12CCCO2 ZINC000449237876 500954504 /nfs/dbraw/zinc/95/45/04/500954504.db2.gz PFBKUQBUSWSBMC-YJSIEXFISA-N 2 0 372.553 3.398 20 0 FGADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H](C)COc1ccc(Cl)c(Cl)c1 ZINC000449252483 500958057 /nfs/dbraw/zinc/95/80/57/500958057.db2.gz VLIMWHSPLAMJEW-CABCVRRESA-N 2 0 374.356 3.376 20 0 FGADRP C[C@H]([NH3+])[C@H]1CCCN(Cc2cc(Cl)ccc2OC[C@@H]2CCCO2)C1 ZINC000435385643 500965124 /nfs/dbraw/zinc/96/51/24/500965124.db2.gz QVTZRPJGQMRGDT-MPGHIAIKSA-N 2 0 352.906 3.457 20 0 FGADRP C[NH2+]C[C@H]1CCN(Cc2ccc(OCc3cn4cccc(C)c4n3)cc2)C1 ZINC000435385373 500965248 /nfs/dbraw/zinc/96/52/48/500965248.db2.gz RGSDCRKNFCTCJL-LJQANCHMSA-N 2 0 364.493 3.263 20 0 FGADRP O[C@H](C[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12)Cc1cccc(F)c1 ZINC000449358705 500986375 /nfs/dbraw/zinc/98/63/75/500986375.db2.gz FZFMBHLJEGMANJ-YPIGPJMWSA-N 2 0 368.496 3.229 20 0 FGADRP C[NH+](C)C1(CNC(=O)N2CCC(C[N@@H+](C)Cc3ccccc3)CC2)CCC1 ZINC000445846428 501040562 /nfs/dbraw/zinc/04/05/62/501040562.db2.gz IJEAIGZBFCABHL-UHFFFAOYSA-N 2 0 372.557 3.024 20 0 FGADRP C[C@@H]1C[C@H](CCNC(=O)NCC2([NH+](C)C)CCC2)C[N@@H+]1Cc1ccccc1 ZINC000445875572 501045224 /nfs/dbraw/zinc/04/52/24/501045224.db2.gz OBXPOKAKPULVDH-QUCCMNQESA-N 2 0 372.557 3.071 20 0 FGADRP CC[C@@H](C)[NH+]1CCN(Cc2ccccc2N(C)C2CC[NH+](C)CC2)CC1 ZINC000449631249 501046531 /nfs/dbraw/zinc/04/65/31/501046531.db2.gz ORUPBZZPPCHHRD-LJQANCHMSA-N 2 0 358.574 3.133 20 0 FGADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC2CCC(C[NH+](C)C)CC2)C1 ZINC000440796469 501049290 /nfs/dbraw/zinc/04/92/90/501049290.db2.gz LCGJRRMIHZUMTO-LMDPOFIKSA-N 2 0 366.594 3.307 20 0 FGADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000445974210 501057135 /nfs/dbraw/zinc/05/71/35/501057135.db2.gz KFDYKBKFKFLZID-ICSRJNTNSA-N 2 0 372.557 3.023 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)N(C)CC1([NH+](C)C)CCC1)Cc1ccccc1 ZINC000446132226 501079703 /nfs/dbraw/zinc/07/97/03/501079703.db2.gz USDDYFIGYOTGJL-HXUWFJFHSA-N 2 0 374.573 3.065 20 0 FGADRP C[NH+](Cc1cc(C[N@@H+](C)[C@@H]2CCOC2)cc(C(F)(F)F)c1)[C@H]1CCOC1 ZINC000450389904 501109179 /nfs/dbraw/zinc/10/91/79/501109179.db2.gz KVLXDTYHCKINFC-HDICACEKSA-N 2 0 372.431 3.147 20 0 FGADRP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](C[C@H]2CCCCC2(F)F)CC1 ZINC000450422736 501117761 /nfs/dbraw/zinc/11/77/61/501117761.db2.gz NODQZFALYQFVME-QGZVFWFLSA-N 2 0 373.532 3.228 20 0 FGADRP c1cn(Cc2ccccc2)c(CC[NH2+]C2CCN(c3cc[nH+]cc3)CC2)n1 ZINC000436468779 501132133 /nfs/dbraw/zinc/13/21/33/501132133.db2.gz KRYHRJASZYTKQJ-UHFFFAOYSA-N 2 0 361.493 3.128 20 0 FGADRP C[C@H](c1ccccc1)N1CCN(C(=O)C[N@@H+]2CCC[C@@H]3CCC[C@@H]32)CC1 ZINC000441438585 501138873 /nfs/dbraw/zinc/13/88/73/501138873.db2.gz RYRYEVISRSSYGB-GIVPXCGWSA-N 2 0 355.526 3.156 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccc(C(C)C)cc1O ZINC000436535019 501150424 /nfs/dbraw/zinc/15/04/24/501150424.db2.gz MJYNZCOZNJAAAN-SFHVURJKSA-N 2 0 361.530 3.004 20 0 FGADRP CC[NH+]1CCN(Cc2ccccc2C[NH2+][C@H](COC)C2CCCC2)CC1 ZINC000446744932 501160338 /nfs/dbraw/zinc/16/03/38/501160338.db2.gz KQHJKELEFXOUOX-JOCHJYFZSA-N 2 0 359.558 3.119 20 0 FGADRP COC[C@@H]([NH2+]CCCN1CC[N@H+](C)C[C@H]1c1ccccc1)C1CCCC1 ZINC000446758970 501162570 /nfs/dbraw/zinc/16/25/70/501162570.db2.gz MLNNSAWZKIRNAX-YADHBBJMSA-N 2 0 359.558 3.160 20 0 FGADRP FC(F)C(F)(F)COCC[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000446973229 501188817 /nfs/dbraw/zinc/18/88/17/501188817.db2.gz BZXUSMQHHSOETH-IXDOHACOSA-N 2 0 374.422 3.404 20 0 FGADRP OCC[C@@H]1CCC[NH+]1Cc1cc(Cl)cc(C[N@H+]2CCC[C@H]2CCO)c1 ZINC000450801235 501211275 /nfs/dbraw/zinc/21/12/75/501211275.db2.gz YXCUPDRKLAMNQU-PMACEKPBSA-N 2 0 366.933 3.034 20 0 FGADRP C(C[NH+]1CCCC2(CCC[N@@H+](CC[C@@H]3CCOC3)C2)C1)[C@@H]1CCOC1 ZINC000451045986 501241557 /nfs/dbraw/zinc/24/15/57/501241557.db2.gz NKENWYLTOSNAOH-OSBQEZSISA-N 2 0 350.547 3.018 20 0 FGADRP C[C@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)c1cc(-c2ccccc2)nn1C ZINC000453106890 501270252 /nfs/dbraw/zinc/27/02/52/501270252.db2.gz JLTVRADDIDMKSX-SFHVURJKSA-N 2 0 369.557 3.011 20 0 FGADRP O=C(NCCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21)C1CCC1 ZINC000453153716 501280366 /nfs/dbraw/zinc/28/03/66/501280366.db2.gz RAFZBPABDQEPOL-VSKRKVRLSA-N 2 0 369.553 3.326 20 0 FGADRP C[C@@H]([NH2+]CCc1ccc(OCC[N@@H+]2C[C@H](C)[C@H](C)C2)cc1)c1ccncn1 ZINC000453161152 501282116 /nfs/dbraw/zinc/28/21/16/501282116.db2.gz ISASRDKXRZTTDF-CEXWTWQISA-N 2 0 368.525 3.337 20 0 FGADRP COc1ccc2c(c1)C[C@H]([NH2+][C@H](C)[C@H]1CC[N@H+](Cc3ccccc3)C1)CO2 ZINC000453195346 501288469 /nfs/dbraw/zinc/28/84/69/501288469.db2.gz JNTMFTKKPMCOQG-LMNJBCLMSA-N 2 0 366.505 3.499 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)NCC[C@H]1CCC[N@H+](C)C1)c1ccsc1 ZINC000457698596 501289977 /nfs/dbraw/zinc/28/99/77/501289977.db2.gz ZCIGDXYYYFICGH-SJLPKXTDSA-N 2 0 366.575 3.162 20 0 FGADRP CCn1ccnc1[C@@H](C)NC(=O)N1CCC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000455477657 501313419 /nfs/dbraw/zinc/31/34/19/501313419.db2.gz UMKKZXUZJVIRAE-QZTJIDSGSA-N 2 0 369.513 3.270 20 0 FGADRP CC(=O)N1CCCN(C[C@@H]2CCC[N@@H+](CC[C@H]3CCC[C@H](C)C3)C2)CC1 ZINC000451529107 501313704 /nfs/dbraw/zinc/31/37/04/501313704.db2.gz GJSGVRFPUTXWOE-KSEOMHKRSA-N 2 0 363.590 3.469 20 0 FGADRP C[C@H]1CCCC[N@@H+]1CCCC[NH2+]C[C@@H](O)COc1ccc(Cl)cc1 ZINC000582481200 506245842 /nfs/dbraw/zinc/24/58/42/506245842.db2.gz IHVNILFLKWBFFZ-FUHWJXTLSA-N 2 0 354.922 3.324 20 0 FGADRP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000455483351 501315554 /nfs/dbraw/zinc/31/55/54/501315554.db2.gz XLZQXMORLJDNBZ-ZNDGOPKYSA-N 2 0 370.541 3.136 20 0 FGADRP Cc1cnc(CC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)cn1 ZINC000453399818 501325002 /nfs/dbraw/zinc/32/50/02/501325002.db2.gz LQHFVRXPOBXJMW-BHDDXSALSA-N 2 0 350.510 3.360 20 0 FGADRP CC(C)[NH+]1CCC(NC(=O)CN2CCC[C@@H]2c2ccc(F)cc2F)CC1 ZINC000451967375 501410611 /nfs/dbraw/zinc/41/06/11/501410611.db2.gz GZBKIROMUHUOFJ-LJQANCHMSA-N 2 0 365.468 3.091 20 0 FGADRP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)NCC(C)(C)[NH2+][C@H](C)c2ccccc2)C1 ZINC000458379595 501431917 /nfs/dbraw/zinc/43/19/17/501431917.db2.gz SUSSBXZQQYVMAZ-IEBWSBKVSA-N 2 0 360.546 3.240 20 0 FGADRP CC[C@H](C)[NH+]1CCN(C(=O)NC2CC[NH+]([C@H](C)c3ccccc3)CC2)CC1 ZINC000458395132 501435397 /nfs/dbraw/zinc/43/53/97/501435397.db2.gz CCIIVGFLVBCYEV-RBUKOAKNSA-N 2 0 372.557 3.338 20 0 FGADRP Cn1cncc1CCC[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000582495040 506254763 /nfs/dbraw/zinc/25/47/63/506254763.db2.gz UMYMYUDRIYGHMO-IRLDBZIGSA-N 2 0 352.526 3.339 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NC(C)(C)C[NH+]1CCCC1 ZINC000458522835 501465705 /nfs/dbraw/zinc/46/57/05/501465705.db2.gz YKYZSWDDSBZITK-QUCCMNQESA-N 2 0 372.557 3.071 20 0 FGADRP COc1ccc(C[NH2+]CC2(SC)CC[NH+](C)CC2)cc1OC1CC1 ZINC000598973359 506255204 /nfs/dbraw/zinc/25/52/04/506255204.db2.gz FYQUURHPSNNRDT-UHFFFAOYSA-N 2 0 350.528 3.153 20 0 FGADRP Cc1ccccc1[C@@H]([C@@H](C)NC(=O)NCCCC[N@H+](C)C1CC1)[NH+](C)C ZINC000458759400 501524568 /nfs/dbraw/zinc/52/45/68/501524568.db2.gz GHOYKTJVUDVVIU-YLJYHZDGSA-N 2 0 360.546 3.160 20 0 FGADRP Cc1ccccc1[C@H]([C@H](C)NC(=O)N(C)[C@H]1CC[N@@H+](C(C)C)C1)[NH+](C)C ZINC000458788391 501531937 /nfs/dbraw/zinc/53/19/37/501531937.db2.gz YCBHJNPITLCBCS-BJLQDIEVSA-N 2 0 360.546 3.110 20 0 FGADRP C[NH+](C)CCCC(C)(C)NC(=O)NCC1([N@H+](C)Cc2ccccc2)CCC1 ZINC000458964721 501566752 /nfs/dbraw/zinc/56/67/52/501566752.db2.gz CUCUZAKQVLKXPB-UHFFFAOYSA-N 2 0 374.573 3.461 20 0 FGADRP C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)NCC1([NH+](C)Cc2ccccc2)CCC1 ZINC000458981246 501570585 /nfs/dbraw/zinc/57/05/85/501570585.db2.gz TVOYEKFNXKUXSO-UYAOXDASSA-N 2 0 372.557 3.023 20 0 FGADRP C[C@H](CCNC(=O)N[C@@H]1C[C@@H](C)n2ccnc21)[N@H+](C)Cc1ccccc1 ZINC000454581958 501583770 /nfs/dbraw/zinc/58/37/70/501583770.db2.gz BWFOYMFGDNAPQN-JFIYKMOQSA-N 2 0 355.486 3.099 20 0 FGADRP CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000459093350 501592644 /nfs/dbraw/zinc/59/26/44/501592644.db2.gz GOBSXBFSOVJTDI-FXAWDEMLSA-N 2 0 364.578 3.203 20 0 FGADRP CC(C)(CC[NH+]1CCCCCC1)NC(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000459095123 501593157 /nfs/dbraw/zinc/59/31/57/501593157.db2.gz HNFNOIOAKFRXMM-UHFFFAOYSA-N 2 0 364.578 3.347 20 0 FGADRP C[C@H]1C[C@H](NC(=O)N2CC[NH+](C(C)(C)CC(C)(C)C)CC2)CC[N@@H+]1C ZINC000454646023 501600317 /nfs/dbraw/zinc/60/03/17/501600317.db2.gz PIZAEXDZFVMQPG-DLBZAZTESA-N 2 0 352.567 3.011 20 0 FGADRP C[N@@H+]1CCC[C@@H](CCNC(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)C1 ZINC000459268272 501622298 /nfs/dbraw/zinc/62/22/98/501622298.db2.gz SBFJJYOAUXXWHQ-PMACEKPBSA-N 2 0 364.578 3.016 20 0 FGADRP C[NH+]1CCC(C[NH2+]Cc2cn(C3CCCC3)nc2-c2ccccn2)CC1 ZINC000459419936 501650906 /nfs/dbraw/zinc/65/09/06/501650906.db2.gz BYIVOTXXYBFTFE-UHFFFAOYSA-N 2 0 353.514 3.492 20 0 FGADRP C[NH+](C)CC(C)(C)NC(=O)c1cccc(C[N@H+](C)Cc2ccccc2)c1 ZINC000457216625 501666686 /nfs/dbraw/zinc/66/66/86/501666686.db2.gz DFDDBBSIFBZACL-UHFFFAOYSA-N 2 0 353.510 3.389 20 0 FGADRP C[C@H]1C[C@H](NC(=O)NCCCCC[NH+]2CCCC2)C[N@@H+]1Cc1ccccc1 ZINC000455115699 501690536 /nfs/dbraw/zinc/69/05/36/501690536.db2.gz MPQYPGQSTNKQGR-FPOVZHCZSA-N 2 0 372.557 3.215 20 0 FGADRP O=C(c1ccccc1Cl)N1CCC([NH2+]Cc2ccc3c[nH+]cn3c2)CC1 ZINC000459663001 501695003 /nfs/dbraw/zinc/69/50/03/501695003.db2.gz WDYDRVVNEYZJNX-UHFFFAOYSA-N 2 0 368.868 3.382 20 0 FGADRP CC[NH+]1CCN(Cc2ccc(NC(=O)CC3(C[NH3+])CCCCC3)cc2)CC1 ZINC000463489133 501740298 /nfs/dbraw/zinc/74/02/98/501740298.db2.gz DOTMERSRVKZCJY-UHFFFAOYSA-N 2 0 372.557 3.062 20 0 FGADRP C[NH+](C)CC1(C(=O)N(Cc2ccco2)C2CC[NH+](C)CC2)CCCCC1 ZINC000460205427 501759821 /nfs/dbraw/zinc/75/98/21/501759821.db2.gz WFCZPLTVHMPRLQ-UHFFFAOYSA-N 2 0 361.530 3.215 20 0 FGADRP CO[C@H]1C[NH+](Cc2ccccc2C[N@@H+]2CC[C@H](C)[C@H](OC)C2)CC[C@@H]1C ZINC000467289166 501760347 /nfs/dbraw/zinc/76/03/47/501760347.db2.gz MCBDRGZJGUPVBR-YHDSQAASSA-N 2 0 360.542 3.400 20 0 FGADRP COc1ccc([C@H](CNC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)[NH+]2CCCCC2)cc1 ZINC000467293285 501762712 /nfs/dbraw/zinc/76/27/12/501762712.db2.gz JFJCQBYHRNGDEK-WFXMLNOXSA-N 2 0 373.541 3.211 20 0 FGADRP C[C@@H](Cc1cccc(C(F)(F)F)c1)[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000467344228 501773782 /nfs/dbraw/zinc/77/37/82/501773782.db2.gz AVYXMVPRPOJUAR-INIZCTEOSA-N 2 0 357.464 3.254 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@H]([C@@H]3CCOC3)C2)[C@@H](C)C1 ZINC000467354151 501775336 /nfs/dbraw/zinc/77/53/36/501775336.db2.gz LXLPRQOALGCSGY-AFDCHOCNSA-N 2 0 352.563 3.308 20 0 FGADRP Cc1ccc(C[C@H](CO)[NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)cc1 ZINC000467369505 501779213 /nfs/dbraw/zinc/77/92/13/501779213.db2.gz ZAABKNLYSOMRBX-MOUTVQLLSA-N 2 0 364.533 3.399 20 0 FGADRP Cc1ccncc1N1CCN(Cc2cnc(-c3ccncc3)s2)CC1 ZINC000467538137 501818773 /nfs/dbraw/zinc/81/87/73/501818773.db2.gz QYIRERWVKJYLDN-UHFFFAOYSA-N 2 0 351.479 3.231 20 0 FGADRP C[C@@H]([NH2+]CC(C)(C)C[NH+]1CCCC1)[C@H](c1ccccc1)N1CCOCC1 ZINC000477910799 501827061 /nfs/dbraw/zinc/82/70/61/501827061.db2.gz GFQKQLDZASCEEM-TZIWHRDSSA-N 2 0 359.558 3.160 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CNC(=O)NC[C@@H]1CCCC[NH+](Cc2ccccc2)C1 ZINC000460520467 501847867 /nfs/dbraw/zinc/84/78/67/501847867.db2.gz ISDHUACJDLUNMT-SFTDATJTSA-N 2 0 372.557 3.072 20 0 FGADRP O=C(CC[N@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1)Nc1ccccc1F ZINC000470999137 501886200 /nfs/dbraw/zinc/88/62/00/501886200.db2.gz ZTUSQKCYWLZFNB-KDURUIRLSA-N 2 0 367.468 3.218 20 0 FGADRP CC(C)[C@@H](C[NH2+]Cc1cccnc1N1CC[NH+](C)CC1)c1ccccc1 ZINC000474634257 501901913 /nfs/dbraw/zinc/90/19/13/501901913.db2.gz WXAZZSPGCXLSKV-OAQYLSRUSA-N 2 0 352.526 3.363 20 0 FGADRP CC1CC[NH+]([C@@H](CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)c2cccs2)CC1 ZINC000468075170 501948956 /nfs/dbraw/zinc/94/89/56/501948956.db2.gz XIYSCVREKOCLOE-BZSNNMDCSA-N 2 0 363.571 3.368 20 0 FGADRP CC[C@@]1(C)CC[N@H+](CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)C1 ZINC000468126273 501965363 /nfs/dbraw/zinc/96/53/63/501965363.db2.gz YRIZIPUBFCVWQJ-FQEVSTJZSA-N 2 0 361.555 3.296 20 0 FGADRP CN(CC[C@H]1CCC[N@@H+]1C)[C@@H]1CCCC[C@H]1[NH+](C)CC[C@@H]1CCC[NH+]1C ZINC000464494282 502004394 /nfs/dbraw/zinc/00/43/94/502004394.db2.gz AKISQLBYHPFWKA-CIAFKFPVSA-N 3 0 364.622 3.130 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)CC[N@@H+]1CCc2ccccc2C1)c1ccco1 ZINC000471380783 502004602 /nfs/dbraw/zinc/00/46/02/502004602.db2.gz IREGTQUOTGQLHV-HXUWFJFHSA-N 2 0 369.509 3.227 20 0 FGADRP C[NH+](C)[C@H](CNC(=O)C[N@@H+]1CC[C@](C)(c2ccccc2)C1)c1ccccc1 ZINC000475042312 502032236 /nfs/dbraw/zinc/03/22/36/502032236.db2.gz WVVAEXPYWMVXNA-GGAORHGYSA-N 2 0 365.521 3.069 20 0 FGADRP C[C@H](CNC(=O)NC1CC[NH+](C2CCCCC2)CC1)[N@@H+]1CCCC[C@H]1C ZINC000475112910 502064294 /nfs/dbraw/zinc/06/42/94/502064294.db2.gz UMSUEHHVDHZTML-QZTJIDSGSA-N 2 0 364.578 3.346 20 0 FGADRP c1cnc(N2CC[NH+](CCCC[NH2+][C@H]3CCCc4ccccc43)CC2)nc1 ZINC000482447569 502069982 /nfs/dbraw/zinc/06/99/82/502069982.db2.gz QLXSENPOSWDXKD-NRFANRHFSA-N 2 0 365.525 3.046 20 0 FGADRP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH2+][C@H]2CCCC[C@H]2C)CC1 ZINC000475151850 502081591 /nfs/dbraw/zinc/08/15/91/502081591.db2.gz SGCZSMAMLYMHPR-CTNGQTDRSA-N 2 0 357.542 3.198 20 0 FGADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)NCC(C)(C)C[NH+]2CCCC2)C1 ZINC000478791405 502086343 /nfs/dbraw/zinc/08/63/43/502086343.db2.gz DRUHYNZEUUHBLS-AZUAARDMSA-N 2 0 372.557 3.243 20 0 FGADRP C[N@H+](CC1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CCCN(CC(C)(C)C)C1=O ZINC000461378074 502086989 /nfs/dbraw/zinc/08/69/89/502086989.db2.gz XALWATNPFPZNDC-HXUWFJFHSA-N 2 0 372.557 3.267 20 0 FGADRP CCN(C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475163175 502087539 /nfs/dbraw/zinc/08/75/39/502087539.db2.gz FWVDKWUCRSLSSJ-UYAOXDASSA-N 2 0 374.573 3.269 20 0 FGADRP CCC[N@H+](CC)CCNC(=O)N(CC)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000475183033 502092951 /nfs/dbraw/zinc/09/29/51/502092951.db2.gz MSMJSDORYJCYNI-HXUWFJFHSA-N 2 0 360.546 3.024 20 0 FGADRP C[N@@H+]1CCCN(CCC[NH2+][C@H]2CCCOc3ccc(Cl)cc32)CC1 ZINC000482556762 502110152 /nfs/dbraw/zinc/11/01/52/502110152.db2.gz QHJCJPOXEYGTQZ-SFHVURJKSA-N 2 0 351.922 3.171 20 0 FGADRP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)NC[C@@H](C(C)C)[NH+]2CCC(C)CC2)C1 ZINC000464830458 502110226 /nfs/dbraw/zinc/11/02/26/502110226.db2.gz OIMWJTIUQKAZHJ-PMACEKPBSA-N 2 0 366.594 3.020 20 0 FGADRP COc1ccc([C@H](C)[NH2+]CCC[N@@H+]2CCC[C@@H](C(N)=O)C2)c2ccccc12 ZINC000482560202 502110840 /nfs/dbraw/zinc/11/08/40/502110840.db2.gz ZTBWQZMULPMCNV-DLBZAZTESA-N 2 0 369.509 3.086 20 0 FGADRP COC1CC[NH+](C(C)(C)CN[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000482636764 502135370 /nfs/dbraw/zinc/13/53/70/502135370.db2.gz MNXQVNFCROUFEQ-DENIHFKCSA-N 2 0 373.585 3.376 20 0 FGADRP CCCN(CCC[NH+](C)C)C(=O)N[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000468683545 502144885 /nfs/dbraw/zinc/14/48/85/502144885.db2.gz GOZDNJKOSRUARZ-ICSRJNTNSA-N 2 0 360.546 3.023 20 0 FGADRP CCCN(CCC[NH+](C)C)C(=O)N[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000468683544 502145595 /nfs/dbraw/zinc/14/55/95/502145595.db2.gz GOZDNJKOSRUARZ-AZUAARDMSA-N 2 0 360.546 3.023 20 0 FGADRP C[C@H]([NH2+][C@@H]1CCCc2nn(C)cc21)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000479072165 502155285 /nfs/dbraw/zinc/15/52/85/502155285.db2.gz SRMUJYYFHLRJKT-HNAYVOBHSA-N 2 0 371.504 3.039 20 0 FGADRP CC[C@H](C(=O)N1CCC([N@@H+]2CCc3ccccc3C2)CC1)[NH+](CC)CC ZINC000468714434 502156993 /nfs/dbraw/zinc/15/69/93/502156993.db2.gz HZHJCCNHXRVPHB-OAQYLSRUSA-N 2 0 357.542 3.156 20 0 FGADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]CC1(N2CCOC(C)(C)C2)CCCCC1 ZINC000482725270 502162748 /nfs/dbraw/zinc/16/27/48/502162748.db2.gz VGLYHMYRHLMZEU-GUDVDZBRSA-N 2 0 351.579 3.118 20 0 FGADRP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N(CC[NH+](C)C)C1CCCC1 ZINC000461729331 502182326 /nfs/dbraw/zinc/18/23/26/502182326.db2.gz PYOUQONRECMCBS-GOSISDBHSA-N 2 0 360.546 3.023 20 0 FGADRP CCN(CCC[NH+]1CCCC1)C(=O)N[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000472072553 502219692 /nfs/dbraw/zinc/21/96/92/502219692.db2.gz FIFVAWOVIZMDPE-FPOVZHCZSA-N 2 0 372.557 3.167 20 0 FGADRP CCCN(CC[NH+]1CCCCC1)C(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000479355791 502234420 /nfs/dbraw/zinc/23/44/20/502234420.db2.gz WVGGPAVNFRCDKX-GOSISDBHSA-N 2 0 366.575 3.258 20 0 FGADRP O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC000482981760 502236066 /nfs/dbraw/zinc/23/60/66/502236066.db2.gz PVKQYPWKXNDLPI-UXHICEINSA-N 2 0 355.526 3.032 20 0 FGADRP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)CCCCN2C(=O)c3ccccc3C2=O)C1 ZINC000472139918 502245587 /nfs/dbraw/zinc/24/55/87/502245587.db2.gz IYJNOHFNAIKUMG-ROUUACIJSA-N 2 0 371.525 3.163 20 0 FGADRP C[C@H](CNC(=O)N[C@@H](C)[C@H](c1ccccc1)[NH+](C)C)[N@@H+]1CCC[C@@H](C)C1 ZINC000479394969 502245728 /nfs/dbraw/zinc/24/57/28/502245728.db2.gz UTIFXVWPRKQQLX-FTEYMNFISA-N 2 0 360.546 3.097 20 0 FGADRP CC[C@@H](C)[N@H+](C)CCNC(=O)N1CCC(CC[NH+]2CCCC[C@H]2C)CC1 ZINC000479526243 502286217 /nfs/dbraw/zinc/28/62/17/502286217.db2.gz KRJOEPVCVCSBRF-RTBURBONSA-N 2 0 366.594 3.403 20 0 FGADRP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NC[C@@H](C(C)C)[NH+]1CCC(C)CC1 ZINC000465544391 502300038 /nfs/dbraw/zinc/30/00/38/502300038.db2.gz OKWWFJXCNKSNLT-AABGKKOBSA-N 2 0 364.578 3.011 20 0 FGADRP C[C@@H]1C[C@@H](NC(=O)NCc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)CC[NH+]1C ZINC000465553275 502305694 /nfs/dbraw/zinc/30/56/94/502305694.db2.gz QXOICVYWBCMRFI-OPYAIIAOSA-N 2 0 372.557 3.343 20 0 FGADRP CCC(CC)[C@H](CNC(=O)N1CC[C@@H]([NH+](CC)CC)C1)[NH+]1CCCC1 ZINC000465568394 502310532 /nfs/dbraw/zinc/31/05/32/502310532.db2.gz DHBBATXUUCJDMG-MOPGFXCFSA-N 2 0 352.567 3.013 20 0 FGADRP C(=C/c1ccncc1)\C[NH2+]CCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000486943901 502312267 /nfs/dbraw/zinc/31/22/67/502312267.db2.gz YHBZGIDTZRVLJZ-VOTSOKGWSA-N 2 0 350.510 3.287 20 0 FGADRP C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000479690391 502345642 /nfs/dbraw/zinc/34/56/42/502345642.db2.gz NURPSWORCOPWDK-IYWMVGAKSA-N 2 0 364.578 3.013 20 0 FGADRP C[C@@H]1CCC[C@@](CNC(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)([NH+](C)C)C1 ZINC000465731962 502362530 /nfs/dbraw/zinc/36/25/30/502362530.db2.gz VTYDUFNLRXFZFQ-YFVAEKQCSA-N 2 0 364.578 3.061 20 0 FGADRP C[C@@H]1C[NH+](CCC2CC[NH+](CC[C@H]3CCCC[N@@H+]3C)CC2)C[C@@H](C)O1 ZINC000472566583 502386172 /nfs/dbraw/zinc/38/61/72/502386172.db2.gz CYYUSYMJIPJJJV-SFHLNBCPSA-N 3 0 351.579 3.072 20 0 FGADRP CC[NH+](CC)[C@@H]1CCN(C(=O)NC[C@@H](c2ccc(C)cc2)[NH+]2CCCC2)C1 ZINC000465814885 502392786 /nfs/dbraw/zinc/39/27/86/502392786.db2.gz MWAHGCCKIMLPAD-RTWAWAEBSA-N 2 0 372.557 3.258 20 0 FGADRP C[C@@H]1C[C@@H](NC(=O)NCc2ccccc2C[NH+]2CCCCCC2)CC[N@@H+]1C ZINC000465923179 502428999 /nfs/dbraw/zinc/42/89/99/502428999.db2.gz SMFIHPDFLIGZRM-NQIIRXRSSA-N 2 0 372.557 3.345 20 0 FGADRP CCC[N@H+](CC)Cc1ccc(C(=O)N2CC[C@H]3[C@@H](CCC[NH+]3C)C2)cc1 ZINC000483566138 502432893 /nfs/dbraw/zinc/43/28/93/502432893.db2.gz VZVKQPINYFHAIW-SFTDATJTSA-N 2 0 357.542 3.475 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H](C)C1CCCCC1 ZINC000466005173 502451632 /nfs/dbraw/zinc/45/16/32/502451632.db2.gz UILKRCCCKYBVAU-IEBWSBKVSA-N 2 0 352.567 3.013 20 0 FGADRP CC(C)[C@@H]1CN(C(=O)NCC(C)(C)[NH2+][C@H](C)c2ccccc2)CC[N@@H+]1C ZINC000487471853 502452930 /nfs/dbraw/zinc/45/29/30/502452930.db2.gz QGLAUWPIILCXLC-MJGOQNOKSA-N 2 0 360.546 3.097 20 0 FGADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)NCc2ccccc2C[NH+]2CCCC2)C[C@H]1C ZINC000483682958 502461867 /nfs/dbraw/zinc/46/18/67/502461867.db2.gz LDBCEFXRVZMFJB-WIYYLYMNSA-N 2 0 372.557 3.297 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@]2([NH+](C)C)CCC[C@@H](C)C2)C[C@@H]1C ZINC000483699165 502467667 /nfs/dbraw/zinc/46/76/67/502467667.db2.gz ZBNDUNDKBTWDIL-LXZJYRNTSA-N 2 0 352.567 3.011 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)NC1CC[NH+](C2CCCC2)CC1)CC(C)C ZINC000483732319 502478175 /nfs/dbraw/zinc/47/81/75/502478175.db2.gz UJYMXZHWCNOSAT-HXUWFJFHSA-N 2 0 366.594 3.449 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@H](C(C)C)[NH+]2CCC(C)CC2)C[C@H]1C ZINC000483735686 502478921 /nfs/dbraw/zinc/47/89/21/502478921.db2.gz ZNQXIHUKIHILBU-HSALFYBXSA-N 2 0 366.594 3.257 20 0 FGADRP C[C@@H]1CCN(C(=O)NCc2ccccc2C[N@@H+]2CCCC[C@@H]2C)C[C@@H]1C[NH3+] ZINC000582595376 506316556 /nfs/dbraw/zinc/31/65/56/506316556.db2.gz ZTCPVUZUKPQNPJ-LQWHRVPQSA-N 2 0 372.557 3.187 20 0 FGADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)NC2CC[NH+](C3CCCCC3)CC2)C[C@H]1C ZINC000483792450 502493874 /nfs/dbraw/zinc/49/38/74/502493874.db2.gz VBPMZEIXSHJWIL-YLJYHZDGSA-N 2 0 364.578 3.298 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@H](C)[NH+](C)Cc2ccccc2)C[C@@H]1C ZINC000483794499 502494586 /nfs/dbraw/zinc/49/45/86/502494586.db2.gz QIJLIVUNPLHZKK-BJLQDIEVSA-N 2 0 360.546 3.021 20 0 FGADRP C[C@H](CNC(=O)N[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1)C[NH+]1CCCCC1 ZINC000466242321 502514098 /nfs/dbraw/zinc/51/40/98/502514098.db2.gz URQNKFVPIZIUKM-DYXWJJEUSA-N 2 0 372.557 3.071 20 0 FGADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1ccc(-c2cccc(F)c2F)o1 ZINC000480258428 502515889 /nfs/dbraw/zinc/51/58/89/502515889.db2.gz DIBHOBCKCHJCQY-HNNXBMFYSA-N 2 0 363.452 3.340 20 0 FGADRP C[C@@H]1C[C@H](NC(=O)NCCC[NH+]2CCCC[C@H]2C)C[N@@H+]1Cc1ccccc1 ZINC000466396948 502557701 /nfs/dbraw/zinc/55/77/01/502557701.db2.gz SAOHAPCSBRCNIO-SBHAEUEKSA-N 2 0 372.557 3.213 20 0 FGADRP Cc1cc(C(C)(C)C)ccc1OC[C@H](O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000480419342 502564636 /nfs/dbraw/zinc/56/46/36/502564636.db2.gz RSYKBMMTIZZEKS-CEWLAPEOSA-N 2 0 374.569 3.448 20 0 FGADRP C[C@H](NC(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000487925164 502569499 /nfs/dbraw/zinc/56/94/99/502569499.db2.gz VUXPWAJXQAJZFD-WJMWBRGCSA-N 2 0 372.557 3.069 20 0 FGADRP COc1ccccc1-c1ccc([C@@H](C)[NH2+]CC2(O)CC[NH+](C)CC2)cc1 ZINC000484129084 502576574 /nfs/dbraw/zinc/57/65/74/502576574.db2.gz KRUSKVBNXBWAJC-QGZVFWFLSA-N 2 0 354.494 3.470 20 0 FGADRP C[C@H]([NH2+]Cc1c2c(nn1C)CCCC2)c1ccc(OCC[NH+](C)C)cc1 ZINC000462806254 502583046 /nfs/dbraw/zinc/58/30/46/502583046.db2.gz JEHUMAWDBSQUAD-INIZCTEOSA-N 2 0 356.514 3.090 20 0 FGADRP C[NH+]1CCC(C[NH2+][C@@H]2CCCc3c(O)cccc32)(N2CCCCC2)CC1 ZINC000462816703 502585836 /nfs/dbraw/zinc/58/58/36/502585836.db2.gz RNTPMJLJTKQELL-HXUWFJFHSA-N 2 0 357.542 3.310 20 0 FGADRP Cn1nc2c(c1C[NH2+][C@@H]1CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]31)CCCC2 ZINC000462814718 502585902 /nfs/dbraw/zinc/58/59/02/502585902.db2.gz FYZHSFPACROZDM-SESVDKBCSA-N 2 0 364.537 3.299 20 0 FGADRP COc1ccc([C@H](C)[NH2+][C@H]2CCN(Cc3ccccc3)C[C@@H]2CO)cc1 ZINC000484161195 502589336 /nfs/dbraw/zinc/58/93/36/502589336.db2.gz NNLXEZRQVRSNNG-WEYGHZABSA-N 2 0 354.494 3.229 20 0 FGADRP CC(C)c1cc(NCc2ccc(OCCC[NH+](C)C)cc2)nc(N(C)C)[nH+]1 ZINC000462828575 502590447 /nfs/dbraw/zinc/59/04/47/502590447.db2.gz OHRFDJGDMIEXGN-UHFFFAOYSA-N 2 0 371.529 3.031 20 0 FGADRP O[C@H]1CC[N@H+](Cc2cccc(N[C@H]3CCC[NH+](Cc4ccccc4)C3)c2)C1 ZINC000462866753 502605544 /nfs/dbraw/zinc/60/55/44/502605544.db2.gz PKIQFMQMUXHTIG-GOTSBHOMSA-N 2 0 365.521 3.330 20 0 FGADRP CCCN(CC[NH+]1CCCC1)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000476886655 502612566 /nfs/dbraw/zinc/61/25/66/502612566.db2.gz XYCLJBKALBEZOH-UHFFFAOYSA-N 2 0 372.557 3.300 20 0 FGADRP C[C@H]1C[C@H](C)C[NH+](CCCC[NH2+]C2CCN(Cc3ccccn3)CC2)C1 ZINC000480601504 502616662 /nfs/dbraw/zinc/61/66/62/502616662.db2.gz AOCPGVYUMIGMPN-PMACEKPBSA-N 2 0 358.574 3.394 20 0 FGADRP C[NH+](C)CCCC1CCN(C(=O)CC[N@@H+]2CCc3ccccc3C2)CC1 ZINC000473510736 502616795 /nfs/dbraw/zinc/61/67/95/502616795.db2.gz XUQSNQDMBYRUPT-UHFFFAOYSA-N 2 0 357.542 3.015 20 0 FGADRP C[C@H]([NH2+]CCC[NH+]1CCC(C)CC1)[C@@H](c1ccccc1)N1CCOCC1 ZINC000480606221 502617719 /nfs/dbraw/zinc/61/77/19/502617719.db2.gz CRYBZIBTDXFGTA-UNMCSNQZSA-N 2 0 359.558 3.160 20 0 FGADRP CCCN(CC[NH+]1CCCCC1)C(=O)NC[C@H](C)C[NH+]1CCCCC1 ZINC000484399791 502637984 /nfs/dbraw/zinc/63/79/84/502637984.db2.gz FQGJMIPTOITMFQ-IBGZPJMESA-N 2 0 352.567 3.016 20 0 FGADRP C[C@@H]([NH2+]CCN1CCC([NH+](C)C)CC1)c1ccc(OCC(F)(F)F)cc1 ZINC000484482732 502650545 /nfs/dbraw/zinc/65/05/45/502650545.db2.gz KCOBVMFRNHUPEF-OAHLLOKOSA-N 2 0 373.463 3.304 20 0 FGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC2(CC[NH+](Cc3ccccc3)C2)CC1 ZINC000477034349 502655536 /nfs/dbraw/zinc/65/55/36/502655536.db2.gz OYVOLGKCENBOPC-NRFANRHFSA-N 2 0 369.553 3.376 20 0 FGADRP CC[NH+]1CCN(CCC[NH2+][C@@H](C)c2ccc(-c3ccncc3)cc2)CC1 ZINC000480778894 502668865 /nfs/dbraw/zinc/66/88/65/502668865.db2.gz LXPRJTBNBFJSQF-IBGZPJMESA-N 2 0 352.526 3.427 20 0 FGADRP CC[N@@H+]1CC[C@@H]([NH2+]CC2(N3CCOC(C)(C)C3)CCCCC2)[C@@H](C)C1 ZINC000470161756 502686819 /nfs/dbraw/zinc/68/68/19/502686819.db2.gz XEHQAZGQSRUWJN-RBUKOAKNSA-N 2 0 351.579 3.120 20 0 FGADRP CC[C@@H](C(=O)Nc1ccc(OC)cc1)[NH+]1CCC(C[NH+](CC)CC)CC1 ZINC000488363260 502694135 /nfs/dbraw/zinc/69/41/35/502694135.db2.gz SLKLXCZRPBRUHI-FQEVSTJZSA-N 2 0 361.530 3.466 20 0 FGADRP CC[NH+](CC)CC1CC[NH+](CC(=O)NCCc2c(C)cc(C)cc2C)CC1 ZINC000488377894 502697208 /nfs/dbraw/zinc/69/72/08/502697208.db2.gz SKCZZYNPYQRAPL-UHFFFAOYSA-N 2 0 373.585 3.324 20 0 FGADRP Cc1nc2ccccc2n1CCCCC[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000463115525 502699891 /nfs/dbraw/zinc/69/98/91/502699891.db2.gz KTUCXDZHXVLZAP-UHFFFAOYSA-N 2 0 371.573 3.084 20 0 FGADRP C[C@H](NC(=O)NC[C@H](C1CC1)[N@H+](C)Cc1ccccc1)C(C)(C)C[NH+](C)C ZINC000477183987 502701592 /nfs/dbraw/zinc/70/15/92/502701592.db2.gz BMUCCOITPPDLEI-FXAWDEMLSA-N 2 0 374.573 3.173 20 0 FGADRP CCCN(CC[NH+]1CCCC1)C(=O)NC[C@@H](c1ccc(C)cc1)[NH+](C)C ZINC000488471223 502724752 /nfs/dbraw/zinc/72/47/52/502724752.db2.gz SRWJMIVCSOZEFM-FQEVSTJZSA-N 2 0 360.546 3.115 20 0 FGADRP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)NCC1(C)CC[NH+](C)CC1 ZINC000470291695 502726810 /nfs/dbraw/zinc/72/68/10/502726810.db2.gz HEMQTXSSBREYJZ-FQEVSTJZSA-N 2 0 374.573 3.174 20 0 FGADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)NCCC[NH2+]C1CCCCC1 ZINC000463271123 502741706 /nfs/dbraw/zinc/74/17/06/502741706.db2.gz IOCFWVRHQKWTMA-RXVVDRJESA-N 2 0 372.557 3.119 20 0 FGADRP CCN(C(=O)N[C@@H]1CC[NH+](C2CC2)C1)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000473957588 502762224 /nfs/dbraw/zinc/76/22/24/502762224.db2.gz DBKUMQZGTFYFPI-QFUCXCTJSA-N 2 0 370.541 3.090 20 0 FGADRP CCN(C(=O)N[C@@H]1CC[NH+](C2CC2)C1)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000473957586 502762309 /nfs/dbraw/zinc/76/23/09/502762309.db2.gz DBKUMQZGTFYFPI-FBBABVLZSA-N 2 0 370.541 3.090 20 0 FGADRP C[C@H]([NH2+][C@H]1CCN(Cc2ccccc2)C[C@@H]1C)C(=O)N1CCC(C)CC1 ZINC000481176088 502773591 /nfs/dbraw/zinc/77/35/91/502773591.db2.gz WYJPSJHEXLWUCQ-ZJOUEHCJSA-N 2 0 357.542 3.134 20 0 FGADRP C[C@@H]1C[C@H](CCNC(=O)N(C)CC[N@H+](C)C2CC2)C[NH+]1Cc1ccccc1 ZINC000474014856 502778922 /nfs/dbraw/zinc/77/89/22/502778922.db2.gz KOLDJFWEDARLKJ-QUCCMNQESA-N 2 0 372.557 3.023 20 0 FGADRP C[C@@H](CNC(=O)N1CC[N@@H+](C2CCC2)C[C@H](C)C1)[NH+](C)Cc1ccccc1 ZINC000488961082 502847762 /nfs/dbraw/zinc/84/77/62/502847762.db2.gz OAAJDCHGKPVWQA-OALUTQOASA-N 2 0 372.557 3.023 20 0 FGADRP C[C@H](CNC(=O)N1CCC(CCC[NH+](C)C)CC1)[N@@H+]1CCCC[C@@H]1C ZINC000500816109 502869487 /nfs/dbraw/zinc/86/94/87/502869487.db2.gz WWPBHHHVMJINHL-ZWKOTPCHSA-N 2 0 352.567 3.013 20 0 FGADRP C[NH+](C)CCCC1CCN(C(=O)NCCC[N@H+](C)Cc2ccccc2)CC1 ZINC000500818059 502870347 /nfs/dbraw/zinc/87/03/47/502870347.db2.gz NUWZTXNYBQVBLY-UHFFFAOYSA-N 2 0 374.573 3.272 20 0 FGADRP CCN1CCN(C(=O)NCc2ccccc2C[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000500875498 502883632 /nfs/dbraw/zinc/88/36/32/502883632.db2.gz LFMRNJSESNWDIC-KDURUIRLSA-N 2 0 372.557 3.012 20 0 FGADRP C[N@@H+](CC(=O)Nc1ccc(F)c(F)c1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501027103 502915014 /nfs/dbraw/zinc/91/50/14/502915014.db2.gz JXVIMLVXHMEIAY-UHFFFAOYSA-N 2 0 374.435 3.147 20 0 FGADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)NCCCC[NH+]1CCCC[C@H]1C ZINC000501043679 502920774 /nfs/dbraw/zinc/92/07/74/502920774.db2.gz DIXKDLDZIOHIPO-MOPGFXCFSA-N 2 0 352.567 3.205 20 0 FGADRP C[N@H+](CC1CCN(c2cc[nH+]cc2)CC1)[C@H]1CCN(c2ccccc2)C1=O ZINC000501073518 502928924 /nfs/dbraw/zinc/92/89/24/502928924.db2.gz ADDBJPXPGHQMLJ-NRFANRHFSA-N 2 0 364.493 3.035 20 0 FGADRP CC[C@H](C)[NH2+][C@H](CNC(=O)N(C)[C@H]1CC[N@H+](CC)[C@H](C)C1)c1ccco1 ZINC000509568564 502937036 /nfs/dbraw/zinc/93/70/36/502937036.db2.gz MITDXJXSMNUFNB-XWTMOSNGSA-N 2 0 364.534 3.223 20 0 FGADRP CC[N@H+](CCNC(=O)NCC[C@H]1C[C@@H](C)[NH+](Cc2ccccc2)C1)C1CC1 ZINC000509710986 502973522 /nfs/dbraw/zinc/97/35/22/502973522.db2.gz HFMDRCPVVNWALC-QUCCMNQESA-N 2 0 372.557 3.071 20 0 FGADRP C[C@@H]1CN(CCC[NH2+]Cc2ccc(Sc3ccccn3)o2)C[C@H](C)O1 ZINC000509731521 502976338 /nfs/dbraw/zinc/97/63/38/502976338.db2.gz AAZACBIUEWXCQJ-IYBDPMFKSA-N 2 0 361.511 3.415 20 0 FGADRP CC(C)[C@@H]([NH2+]Cc1ccc(CN2CC[NH+](C)CC2)cc1)c1ccc(F)cn1 ZINC000497553148 502985731 /nfs/dbraw/zinc/98/57/31/502985731.db2.gz LEBBZQDKJQSONM-JOCHJYFZSA-N 2 0 370.516 3.455 20 0 FGADRP C[NH+](C)[C@H](CNC(=O)NC[C@H](C1CCCCC1)[NH+](C)C)c1ccccc1 ZINC000501362792 502992973 /nfs/dbraw/zinc/99/29/73/502992973.db2.gz PSRPTZLNLWTXLM-WOJBJXKFSA-N 2 0 360.546 3.099 20 0 FGADRP C[N@H+](Cc1ccccc1)[C@H](CNC(=O)CC[C@H]1CCCC[NH+]1C)C1CC1 ZINC000505835281 502996222 /nfs/dbraw/zinc/99/62/22/502996222.db2.gz WPUHCTARAQQJQR-NHCUHLMSSA-N 2 0 357.542 3.278 20 0 FGADRP C[NH+]1CCN(c2ncccc2C[NH2+][C@@H]2CCC[C@@H](c3cccnc3)C2)CC1 ZINC000501378245 502996748 /nfs/dbraw/zinc/99/67/48/502996748.db2.gz PDWPNWDBOBROJG-WIYYLYMNSA-N 2 0 365.525 3.044 20 0 FGADRP O=C(NC1CC[NH+](CC2CCCC2)CC1)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000497614873 503001247 /nfs/dbraw/zinc/00/12/47/503001247.db2.gz BFPCHWPOMHLKFI-JOCHJYFZSA-N 2 0 369.553 3.422 20 0 FGADRP C/C(=C\c1ccccc1C(F)(F)F)C[NH2+][C@@H](C)CN1CC[NH+](C)CC1 ZINC000501417216 503006627 /nfs/dbraw/zinc/00/66/27/503006627.db2.gz AMVRLKGUDYBZLG-STTHAQSSSA-N 2 0 355.448 3.334 20 0 FGADRP CCC[NH+]1CCN(c2ccccc2CN2CC[C@H]([NH+]3CCCCC3)C2)CC1 ZINC000513723846 503010184 /nfs/dbraw/zinc/01/01/84/503010184.db2.gz BCOPUTOSDXDRHL-QFIPXVFZSA-N 2 0 370.585 3.279 20 0 FGADRP C[C@H](CNC(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)[NH+]1CCCC[C@H]1C ZINC000501490166 503019177 /nfs/dbraw/zinc/01/91/77/503019177.db2.gz IVLHAYVXFAMXNE-SFHLNBCPSA-N 2 0 372.557 3.213 20 0 FGADRP C[C@@H](CNC(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1)[N@@H+]1CCCC[C@H]1C ZINC000501535666 503032173 /nfs/dbraw/zinc/03/21/73/503032173.db2.gz XARAPVSAAMPLCW-DYXWJJEUSA-N 2 0 372.557 3.386 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1)c1ccccc1 ZINC000489808566 503039733 /nfs/dbraw/zinc/03/97/33/503039733.db2.gz UKRKOWGTFANKBM-HSALFYBXSA-N 2 0 360.546 3.242 20 0 FGADRP CO[C@@H](C[NH+]1CCC(CC[NH+]2CCOCC2)CC1)c1ccc(Cl)cc1 ZINC000513897412 503043543 /nfs/dbraw/zinc/04/35/43/503043543.db2.gz QIUIASDCERFMGT-FQEVSTJZSA-N 2 0 366.933 3.462 20 0 FGADRP COc1ccc([C@H](CNC(=O)[C@H](C)[NH+]2CCCCCC2)[NH+]2CCCC2)cc1 ZINC000510183205 503065979 /nfs/dbraw/zinc/06/59/79/503065979.db2.gz FQJRCFCRAOQEJX-RXVVDRJESA-N 2 0 373.541 3.213 20 0 FGADRP C[C@H]1CCc2ccccc2N1C(=O)C[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000501796285 503081106 /nfs/dbraw/zinc/08/11/06/503081106.db2.gz PHDFOIGRHNDPJW-SFHVURJKSA-N 2 0 357.542 3.408 20 0 FGADRP COCC[N@H+](C)CCCC1CC[NH+](CCc2nc3ccccc3n2C)CC1 ZINC000501792454 503081212 /nfs/dbraw/zinc/08/12/12/503081212.db2.gz JOOHGLRTPIDXBO-UHFFFAOYSA-N 2 0 372.557 3.186 20 0 FGADRP C[C@@H](C(=O)N1CCCc2ccccc21)[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000501794396 503081792 /nfs/dbraw/zinc/08/17/92/503081792.db2.gz KQXXKZWDAYHQPG-SFHVURJKSA-N 2 0 357.542 3.408 20 0 FGADRP C[C@H](CCNC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C)[NH+]1CCCCC1 ZINC000501821472 503087631 /nfs/dbraw/zinc/08/76/31/503087631.db2.gz FRVIBQGVISHUNP-SFHLNBCPSA-N 2 0 372.557 3.213 20 0 FGADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)NCC(C)(C)[NH+]2CCCCC2)C1 ZINC000514197522 503110585 /nfs/dbraw/zinc/11/05/85/503110585.db2.gz ORFSNDJFSIKGQF-QUCCMNQESA-N 2 0 372.557 3.386 20 0 FGADRP C[C@H](CNC(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1)[NH+]1CCC(C)CC1 ZINC000514206295 503112369 /nfs/dbraw/zinc/11/23/69/503112369.db2.gz NPMYYGVTBIETJU-CTNGQTDRSA-N 2 0 372.557 3.243 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)NC[C@@H](C)[N@@H+]1CCC[C@@H](C)C1)c1ccco1 ZINC000514225770 503117635 /nfs/dbraw/zinc/11/76/35/503117635.db2.gz PKDSGGAYYRXHRM-KZNAEPCWSA-N 2 0 364.534 3.082 20 0 FGADRP CCCC[NH+]1CCC(NC(=O)N[C@@H](C)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000490195751 503127467 /nfs/dbraw/zinc/12/74/67/503127467.db2.gz CXSKXWNPZSCZTQ-PXNSSMCTSA-N 2 0 360.546 3.242 20 0 FGADRP CCC[NH+]1CCC(CNC(=O)N[C@@H](C)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000490199837 503129006 /nfs/dbraw/zinc/12/90/06/503129006.db2.gz VTPHSPGCPMNXSF-FXAWDEMLSA-N 2 0 360.546 3.099 20 0 FGADRP CC[N@@H+]1C[C@@H](C)N(C(=O)NCC2CC[NH+](Cc3ccccc3)CC2)C[C@@H]1C ZINC000498220604 503133974 /nfs/dbraw/zinc/13/39/74/503133974.db2.gz BCDHYHIDIHLTKT-RBUKOAKNSA-N 2 0 372.557 3.023 20 0 FGADRP C[C@@H](C[NH+]1CCCCCC1)NC(=O)N(C)CCC[N@H+](C)Cc1ccco1 ZINC000502121711 503146490 /nfs/dbraw/zinc/14/64/90/503146490.db2.gz JVDDXPHDLWEGTI-SFHVURJKSA-N 2 0 364.534 3.007 20 0 FGADRP CCCN(CC[NH+]1CCCC1)C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000502170217 503154774 /nfs/dbraw/zinc/15/47/74/503154774.db2.gz QQQHXAOASZAJNZ-TZIWHRDSSA-N 2 0 372.557 3.024 20 0 FGADRP C[C@H]1C[C@@H]([NH2+]C[C@@H](O)COCc2ccccc2)CCN1Cc1ccccc1 ZINC000514668550 503162722 /nfs/dbraw/zinc/16/27/22/503162722.db2.gz IMUKAZIZDWGVPD-AJSBUHFISA-N 2 0 368.521 3.207 20 0 FGADRP c1ccc(C[NH+]2CCN(CCC[NH2+][C@H]3CCCC34CCOCC4)CC2)cc1 ZINC000502250895 503169274 /nfs/dbraw/zinc/16/92/74/503169274.db2.gz QHRMQTNKJHDRBY-QFIPXVFZSA-N 2 0 371.569 3.133 20 0 FGADRP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(C[NH2+][C@@H]3CC[C@H]3C3CCC3)c2)C1 ZINC000510673225 503169742 /nfs/dbraw/zinc/16/97/42/503169742.db2.gz ZUYNTFMZFOXNLX-QHAWAJNXSA-N 2 0 355.526 3.052 20 0 FGADRP CC[NH+](CC)C[C@H](C)NC(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000506935937 503196766 /nfs/dbraw/zinc/19/67/66/503196766.db2.gz UQJDLIIMQYCNDH-FHWLQOOXSA-N 2 0 352.567 3.013 20 0 FGADRP C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)c3ccccc3CC[NH3+])cc2)C1 ZINC000514869258 503215337 /nfs/dbraw/zinc/21/53/37/503215337.db2.gz KJLWUGGDNQRHSZ-GOSISDBHSA-N 2 0 365.521 3.350 20 0 FGADRP CC[NH+]1CCN(Cc2ccc(C[NH2+][C@H]3CCC[C@H]3CCOC)cc2)CC1 ZINC000502706368 503255381 /nfs/dbraw/zinc/25/53/81/503255381.db2.gz FTWNWCPKWRHKHX-VXKWHMMOSA-N 2 0 359.558 3.119 20 0 FGADRP CC1CC[NH+](C[C@H]2CCCN(C[C@H](O)COc3ccccc3F)C2)CC1 ZINC000498858423 503277477 /nfs/dbraw/zinc/27/74/77/503277477.db2.gz UNGGFHHVKHKSPQ-MOPGFXCFSA-N 2 0 364.505 3.009 20 0 FGADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)NC[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000502843324 503285960 /nfs/dbraw/zinc/28/59/60/503285960.db2.gz MFYLJUIHONPKNY-UYAOXDASSA-N 2 0 360.546 3.101 20 0 FGADRP CC(C)CC[NH+]1CCC(C[NH2+]Cc2cnnn2Cc2ccccc2)CC1 ZINC000491310060 503295742 /nfs/dbraw/zinc/29/57/42/503295742.db2.gz NMAPJYNXKRVOCN-UHFFFAOYSA-N 2 0 355.530 3.174 20 0 FGADRP [NH3+][C@H](CCC(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1)CC1CCCCC1 ZINC000515233610 503298786 /nfs/dbraw/zinc/29/87/86/503298786.db2.gz VFCDEPPHQIYTKE-IMFGXOCKSA-N 2 0 361.505 3.157 20 0 FGADRP COc1cccc(CC[NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)n1 ZINC000507456838 503301671 /nfs/dbraw/zinc/30/16/71/503301671.db2.gz ACZNDDMXBRJIBH-HMXCVIKNSA-N 2 0 351.494 3.133 20 0 FGADRP CCc1cccnc1[C@H](C)[NH2+]CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000507461651 503302290 /nfs/dbraw/zinc/30/22/90/503302290.db2.gz MRBHPJYTUOUCOD-IBGZPJMESA-N 2 0 352.526 3.112 20 0 FGADRP C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N2CC[NH+](C)CC[C@H]2C)C1 ZINC000502941980 503311901 /nfs/dbraw/zinc/31/19/01/503311901.db2.gz SLOSNYVGASIVLN-RBUKOAKNSA-N 2 0 372.557 3.154 20 0 FGADRP C[NH+](C)CCc1ccc(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000515310451 503312380 /nfs/dbraw/zinc/31/23/80/503312380.db2.gz RVJXBGIMEAOJKA-UHFFFAOYSA-N 2 0 365.521 3.185 20 0 FGADRP CC(C)[N@@H+]1CC[C@H](C[NH2+][C@@H](C)CC(=O)N(C)Cc2ccccc2Cl)C1 ZINC000515480693 503347543 /nfs/dbraw/zinc/34/75/43/503347543.db2.gz UFNANGDMONGKON-DLBZAZTESA-N 2 0 365.949 3.397 20 0 FGADRP CCC1(C[NH2+]Cc2c(Cl)cccc2N2CC[NH+](C)CC2)CCOCC1 ZINC000492483474 503371336 /nfs/dbraw/zinc/37/13/36/503371336.db2.gz KSCUQIGPIQYDRH-UHFFFAOYSA-N 2 0 365.949 3.388 20 0 FGADRP CC[NH+](CC)C[C@@H](C)NC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000503428895 503407320 /nfs/dbraw/zinc/40/73/20/503407320.db2.gz UBDFBNKVDOOCRR-MOPGFXCFSA-N 2 0 352.567 3.014 20 0 FGADRP CC[NH+](CC)C[C@H](C)NC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000503428902 503407516 /nfs/dbraw/zinc/40/75/16/503407516.db2.gz UBDFBNKVDOOCRR-RBUKOAKNSA-N 2 0 352.567 3.014 20 0 FGADRP CC(C)(C)c1nn(Cc2ccccc2)cc1CN1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000516063074 503438826 /nfs/dbraw/zinc/43/88/26/503438826.db2.gz KVGXVICSZZWUFV-RTBURBONSA-N 2 0 352.526 3.270 20 0 FGADRP C[C@H]1CN(C2CC2)C[C@H]1[NH2+]CCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000493694971 503440107 /nfs/dbraw/zinc/44/01/07/503440107.db2.gz ZLQGPLYMXKJFNM-WMZHIEFXSA-N 2 0 371.569 3.130 20 0 FGADRP O=C(NCCCCC[NH+]1CCCC1)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000508197497 503451153 /nfs/dbraw/zinc/45/11/53/503451153.db2.gz CRELWYPGCXSAST-OAQYLSRUSA-N 2 0 357.542 3.423 20 0 FGADRP O[C@H](C[NH2+]CC1CCN(c2cc[nH+]cc2)CC1)Cc1cccc(Cl)c1 ZINC000516175835 503463262 /nfs/dbraw/zinc/46/32/62/503463262.db2.gz VGAVWLWRLDAKFT-FQEVSTJZSA-N 2 0 359.901 3.145 20 0 FGADRP CC[NH+](CC)CCN(Cc1ccccc1)C(=O)NCCC1CC[NH+](C)CC1 ZINC000503732628 503466299 /nfs/dbraw/zinc/46/62/99/503466299.db2.gz CZTIIZXYZDFHCN-UHFFFAOYSA-N 2 0 374.573 3.272 20 0 FGADRP CN1CCN(c2cc[nH+]cc2NC(=O)Cc2ccc3ccccc3c2)CC1 ZINC000516207677 503470843 /nfs/dbraw/zinc/47/08/43/503470843.db2.gz RANNCRKBDIOICG-UHFFFAOYSA-N 2 0 360.461 3.168 20 0 FGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(OC)c(OC)c2C)[C@H](C)C1 ZINC000516209688 503471393 /nfs/dbraw/zinc/47/13/93/503471393.db2.gz IUCAFRICKMXYOP-VQIMIIECSA-N 2 0 364.530 3.239 20 0 FGADRP CC(C)[NH+](CCN(C)C(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1)C(C)C ZINC000504008637 503509779 /nfs/dbraw/zinc/50/97/79/503509779.db2.gz IWNWRSQRHFYLDD-GOSISDBHSA-N 2 0 354.583 3.257 20 0 FGADRP CCC[NH+]1CCN(c2ccccc2CN2CCC[C@@H]2C[NH+]2CCCC2)CC1 ZINC000512291460 503511657 /nfs/dbraw/zinc/51/16/57/503511657.db2.gz AHRUUFDVNJWKSQ-JOCHJYFZSA-N 2 0 370.585 3.279 20 0 FGADRP CC(C)C[NH+]1CCC(NC(=O)NCC2([NH+](C)C)CCCCCC2)CC1 ZINC000504040531 503514345 /nfs/dbraw/zinc/51/43/45/503514345.db2.gz YLAHXQNVHQBDQC-UHFFFAOYSA-N 2 0 352.567 3.061 20 0 FGADRP C[C@@H]1C[C@H](CCNC(=O)N2CC[N@H+](C)CC[C@@H]2C)C[NH+]1Cc1ccccc1 ZINC000512422851 503546208 /nfs/dbraw/zinc/54/62/08/503546208.db2.gz BEGCAIAJHJZCPF-ZVDOUQERSA-N 2 0 372.557 3.023 20 0 FGADRP C[C@H](N[C@@H](CO)c1c(F)cccc1F)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508719163 503550448 /nfs/dbraw/zinc/55/04/48/503550448.db2.gz KMCJKGKTPFGLCV-KNBMTAEXSA-N 2 0 360.448 3.498 20 0 FGADRP CC[C@H](C)[NH2+][C@@H](CNC(=O)NC1CCC(C[NH+](C)C)CC1)c1ccco1 ZINC000500097411 503552726 /nfs/dbraw/zinc/55/27/26/503552726.db2.gz JKBGGSVRPRZURN-BFWZDYSYSA-N 2 0 364.534 3.128 20 0 FGADRP CC[NH+]1CCN(c2ccccc2C[NH2+]CCCc2cccc(C)n2)CC1 ZINC000512527447 503577363 /nfs/dbraw/zinc/57/73/63/503577363.db2.gz SCJUDUFNKQRWLA-UHFFFAOYSA-N 2 0 352.526 3.254 20 0 FGADRP Cc1ccccc1[C@H]([C@H](C)NC(=O)N1CCC[N@@H+](C(C)C)CC1)[NH+](C)C ZINC000508854043 503578015 /nfs/dbraw/zinc/57/80/15/503578015.db2.gz SCDYSAPDKYMMSG-ICSRJNTNSA-N 2 0 360.546 3.112 20 0 FGADRP CC(C)C[N@H+](C[C@H](O)[C@@H]([NH3+])Cc1ccccc1)[C@H]1CCCc2cccnc21 ZINC000516770925 503583398 /nfs/dbraw/zinc/58/33/98/503583398.db2.gz UEFLFWCHFFEOMR-FKBYEOEOSA-N 2 0 367.537 3.348 20 0 FGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC[C@@H]1C[C@H](C)[NH+](Cc2ccccc2)C1 ZINC000512578755 503588349 /nfs/dbraw/zinc/58/83/49/503588349.db2.gz RYUAGXGJRYBKOP-CEWLAPEOSA-N 2 0 357.542 3.278 20 0 FGADRP Cc1ccccc1[C@H]([C@@H](C)NC(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1)[NH+](C)C ZINC000508899874 503594829 /nfs/dbraw/zinc/59/48/29/503594829.db2.gz WIDLRQIFHLUZKW-LQWHRVPQSA-N 2 0 374.573 3.358 20 0 FGADRP CCCN(CC[NH+]1CCCC1)C(=O)N[C@@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC000508902169 503595386 /nfs/dbraw/zinc/59/53/86/503595386.db2.gz ZXXMTYNCYVUFRP-ICSRJNTNSA-N 2 0 360.546 3.195 20 0 FGADRP C[C@](O)(C[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21)C(F)(F)F ZINC000512631626 503599360 /nfs/dbraw/zinc/59/93/60/503599360.db2.gz RYQPBLOTBFCCRQ-TVFCKZIOSA-N 2 0 356.432 3.190 20 0 FGADRP C[C@](O)(C[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)C(F)(F)F ZINC000512631625 503599811 /nfs/dbraw/zinc/59/98/11/503599811.db2.gz RYQPBLOTBFCCRQ-MLHJIOFPSA-N 2 0 356.432 3.190 20 0 FGADRP Cc1ccccc1[C@@H]([C@H](C)NC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C)[NH+](C)C ZINC000508924951 503601203 /nfs/dbraw/zinc/60/12/03/503601203.db2.gz QVQXSIBMFBKZRD-FBYGNRARSA-N 2 0 372.557 3.253 20 0 FGADRP O=C1CCCCN1CCC[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000512654075 503604107 /nfs/dbraw/zinc/60/41/07/503604107.db2.gz JCFCNSNEWXKXNJ-BHIFYINESA-N 2 0 369.553 3.279 20 0 FGADRP C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)c1 ZINC000494894632 503632187 /nfs/dbraw/zinc/63/21/87/503632187.db2.gz BENRNTWGPTYSAQ-FCHUYYIVSA-N 2 0 363.505 3.143 20 0 FGADRP COCC[NH+](CCOC)C1CCN(C/C=C/c2ccc(Cl)cc2)CC1 ZINC000512852493 503645084 /nfs/dbraw/zinc/64/50/84/503645084.db2.gz VTEYPSKONULUEW-ONEGZZNKSA-N 2 0 366.933 3.412 20 0 FGADRP CC1(C)NC(=O)CC[C@H]1[NH2+]CC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000495062191 503655607 /nfs/dbraw/zinc/65/56/07/503655607.db2.gz ALGPINWFNDYEAG-GOSISDBHSA-N 2 0 363.933 3.199 20 0 FGADRP CC[C@H](C)[N@H+](C)CCNC(=O)N1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC000517151665 503658100 /nfs/dbraw/zinc/65/81/00/503658100.db2.gz LGMUYNRQKIZMRI-SFHVURJKSA-N 2 0 360.546 3.023 20 0 FGADRP C[C@H]([NH2+]CC1(C[NH+](C)C)CCCC1)[C@H](c1ccccc1)N1CCOCC1 ZINC000546224880 503677311 /nfs/dbraw/zinc/67/73/11/503677311.db2.gz SFMUGXLFCSEVLO-PZJWPPBQSA-N 2 0 359.558 3.160 20 0 FGADRP C[C@H](C(=O)N[C@@H](C)c1ccc(Cl)cc1)[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000517371921 503728580 /nfs/dbraw/zinc/72/85/80/503728580.db2.gz LNLIMHPXAYNTBW-DAYGRLMNSA-N 2 0 363.933 3.227 20 0 FGADRP c1ccc([C@H]([NH2+]CCCN2CCN(c3cc[nH+]cc3)CC2)C2CC2)cc1 ZINC000540303257 503732820 /nfs/dbraw/zinc/73/28/20/503732820.db2.gz YFCICEVXJYIOLU-QFIPXVFZSA-N 2 0 350.510 3.335 20 0 FGADRP C[C@@H]([NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000536855921 503742543 /nfs/dbraw/zinc/74/25/43/503742543.db2.gz CHLIEBUOTZTZQB-BRWVUGGUSA-N 2 0 373.541 3.456 20 0 FGADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+](CCc1ccccc1)[C@@H]1CCOC1 ZINC000543395047 503751236 /nfs/dbraw/zinc/75/12/36/503751236.db2.gz VDUCPUJRGITXEK-JOCHJYFZSA-N 2 0 362.477 3.409 20 0 FGADRP CCOC(=O)c1c(C)c2ccccc2nc1C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000533243317 503772978 /nfs/dbraw/zinc/77/29/78/503772978.db2.gz VYIWRYLCGLQLCG-UHFFFAOYSA-N 2 0 369.509 3.494 20 0 FGADRP C[NH+](C)C1(CN[C@H]2CC3(CC[NH+](C)CC3)Oc3ccccc32)CCCC1 ZINC000540469665 503780559 /nfs/dbraw/zinc/78/05/59/503780559.db2.gz YNZPAEPBVHSKLF-IBGZPJMESA-N 2 0 357.542 3.439 20 0 FGADRP COCC[N@H+](C)CCCC1CC[NH+](Cc2ccc3c(c2)ncn3C)CC1 ZINC000540504355 503795787 /nfs/dbraw/zinc/79/57/87/503795787.db2.gz DQIRUTPFZRMVOQ-UHFFFAOYSA-N 2 0 358.530 3.144 20 0 FGADRP CCC[NH+]1CCC([NH2+][C@@H](CC)[C@H](c2ccc(C)cc2)n2cncn2)CC1 ZINC000537094368 503800965 /nfs/dbraw/zinc/80/09/65/503800965.db2.gz BBWBBHJYPBIHIR-SFTDATJTSA-N 2 0 355.530 3.419 20 0 FGADRP OC[C@@H](C[NH2+]C1CC[NH+](CC2CC2)CC1)Cc1ccccc1C(F)(F)F ZINC000537095000 503801429 /nfs/dbraw/zinc/80/14/29/503801429.db2.gz GDVLMGHWHGNTNL-MRXNPFEDSA-N 2 0 370.459 3.320 20 0 FGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@H]2CCCOc3cc(Cl)ccc32)CC1 ZINC000537116154 503806893 /nfs/dbraw/zinc/80/68/93/503806893.db2.gz LVDVOIWFQWTLDO-LPHOPBHVSA-N 2 0 365.949 3.417 20 0 FGADRP C[N@H+](CCc1cc(Cl)c2c(c1)OCCCO2)C[C@H]1CCC[NH+](C)C1 ZINC000540552342 503813929 /nfs/dbraw/zinc/81/39/29/503813929.db2.gz LZXCDKMWYWAODB-INIZCTEOSA-N 2 0 352.906 3.317 20 0 FGADRP CCc1c2ccccc2oc1[C@H](C)[NH2+]CCCC[NH+]1CCN(CCO)CC1 ZINC000540594973 503828141 /nfs/dbraw/zinc/82/81/41/503828141.db2.gz RBJCMRUMBATDNH-SFHVURJKSA-N 2 0 373.541 3.036 20 0 FGADRP CSC[C@@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2ccc(-c3c[nH]cn3)cc2)C1 ZINC000517817570 503844927 /nfs/dbraw/zinc/84/49/27/503844927.db2.gz ZQHHSRXZEFGPLV-HUUCEWRRSA-N 2 0 358.511 3.479 20 0 FGADRP C[C@H]1C[N@H+](CCOc2ccc(CC[NH2+]C[C@H]3CCCOC3)cc2)C[C@H]1C ZINC000540653706 503846214 /nfs/dbraw/zinc/84/62/14/503846214.db2.gz RKLGTRJKWPLTAL-SVFBPWRDSA-N 2 0 360.542 3.212 20 0 FGADRP C[C@@H]1CCN(C(=O)CCN(C)c2cc[nH+]cc2)CC[N@@H+]1Cc1ccccc1 ZINC000543712971 503863051 /nfs/dbraw/zinc/86/30/51/503863051.db2.gz HQUZKVPGVHVNLP-LJQANCHMSA-N 2 0 366.509 3.031 20 0 FGADRP CC(C)C[C@H]([NH2+][C@@H](C)c1ccccc1C(F)(F)F)C(=O)NCC[NH+](C)C ZINC000540747124 503877261 /nfs/dbraw/zinc/87/72/61/503877261.db2.gz FJLDWSSVBHWQOV-YOEHRIQHSA-N 2 0 373.463 3.449 20 0 FGADRP CC(C)C[C@H]([NH2+][C@H](C)c1ccc(C(F)(F)F)cc1)C(=O)NCC[NH+](C)C ZINC000540744377 503877669 /nfs/dbraw/zinc/87/76/69/503877669.db2.gz GGRVUFIMURVYAH-PBHICJAKSA-N 2 0 373.463 3.449 20 0 FGADRP C[C@]1(C[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)COc2ccccc2O1 ZINC000530212949 503879631 /nfs/dbraw/zinc/87/96/31/503879631.db2.gz SCHCBTDVUFXJTE-WTNAPCKOSA-N 2 0 366.461 3.062 20 0 FGADRP O[C@H]1CCC[C@H]1[NH+]1CCC([NH2+]CC2(O)CCC(c3ccccc3)CC2)CC1 ZINC000530233255 503884798 /nfs/dbraw/zinc/88/47/98/503884798.db2.gz WASXTUKBXLQWLL-JZEAKTPCSA-N 2 0 372.553 3.043 20 0 FGADRP CCO[C@@H]1C[C@H]([NH2+]Cc2ccccc2C[N@@H+]2CC[C@H](O)C2)C1(CC)CC ZINC000543777246 503887531 /nfs/dbraw/zinc/88/75/31/503887531.db2.gz RMXQGTZDVVLEDS-PCCBWWKXSA-N 2 0 360.542 3.327 20 0 FGADRP Brc1csc(C[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)c1 ZINC000530240496 503889433 /nfs/dbraw/zinc/88/94/33/503889433.db2.gz MDUKLNYSOYFKRA-CQSZACIVSA-N 2 0 359.333 3.101 20 0 FGADRP C[NH+]1CCN(c2cc[nH+]cc2NCc2ccsc2Br)CC1 ZINC000527688632 503896631 /nfs/dbraw/zinc/89/66/31/503896631.db2.gz WGVKDVKVCANFHT-UHFFFAOYSA-N 2 0 367.316 3.270 20 0 FGADRP CCO[C@@H]1C[C@H]([NH2+]C2CC[NH+]([C@@H]3CCC[C@H](C)C3)CC2)[C@@]12CCCO2 ZINC000546961332 503939210 /nfs/dbraw/zinc/93/92/10/503939210.db2.gz GDQRYJYIDCPRGR-OSTWSGHESA-N 2 0 350.547 3.346 20 0 FGADRP C[NH+]1CCN(c2ncccc2C[NH2+][C@@H]2CCc3cc(F)c(Cl)cc32)CC1 ZINC000527851757 503972642 /nfs/dbraw/zinc/97/26/42/503972642.db2.gz MDQASTAQXLCZBW-LJQANCHMSA-N 2 0 374.891 3.403 20 0 FGADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)NCCC[NH+]2CCCC[C@H]2C)C1 ZINC000518402358 503974865 /nfs/dbraw/zinc/97/48/65/503974865.db2.gz XNEFNOJZCDVCGM-SBHAEUEKSA-N 2 0 372.557 3.386 20 0 FGADRP CC[N@H+](CCC1CC[NH+](CCC(=O)N2CCCCC2)CC1)CC(C)C ZINC000541058282 503990550 /nfs/dbraw/zinc/99/05/50/503990550.db2.gz FYVSYQFTFXOGNX-UHFFFAOYSA-N 2 0 351.579 3.469 20 0 FGADRP COc1ccc2nc(C[NH+]3CCC([C@H]4C[C@H]([NH3+])CCO4)CC3)sc2c1 ZINC000518492090 504000253 /nfs/dbraw/zinc/00/02/53/504000253.db2.gz FKQMRBBRQOMPMF-RHSMWYFYSA-N 2 0 361.511 3.023 20 0 FGADRP C[C@H]([NH2+]C(C)(C)CNC(=O)N(C)CCC[NH+]1CCCC1)c1ccccc1 ZINC000541154193 504024848 /nfs/dbraw/zinc/02/48/48/504024848.db2.gz GHDAQAIZAFPNDU-SFHVURJKSA-N 2 0 360.546 3.243 20 0 FGADRP CC(C)Oc1ccc(Cl)cc1NC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000518623657 504030618 /nfs/dbraw/zinc/03/06/18/504030618.db2.gz QEOHOSGZFJFMNN-UHFFFAOYSA-N 2 0 370.925 3.084 20 0 FGADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1cc2c(s1)-c1ccccc1CC2 ZINC000530641414 504036539 /nfs/dbraw/zinc/03/65/39/504036539.db2.gz PFMTYJFLHSLRHY-UHFFFAOYSA-N 2 0 371.550 3.079 20 0 FGADRP C[C@H](CC(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1cccc(C(F)(F)F)c1 ZINC000530641340 504036550 /nfs/dbraw/zinc/03/65/50/504036550.db2.gz DGVORCLGRKYUQK-OAHLLOKOSA-N 2 0 373.463 3.151 20 0 FGADRP CC[N@@H+]1CCC[C@@H](C[NH2+][C@H](C)CC(=O)Nc2cc(Cl)ccc2OC)C1 ZINC000541216285 504046479 /nfs/dbraw/zinc/04/64/79/504046479.db2.gz KUZNNNMSWMQICX-CABCVRRESA-N 2 0 367.921 3.387 20 0 FGADRP Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)[NH2+]C[C@]1(O)CCN(C)C1 ZINC000547281520 504046626 /nfs/dbraw/zinc/04/66/26/504046626.db2.gz BWPMGYXGUXZLEQ-KZULUSFZSA-N 2 0 365.930 3.489 20 0 FGADRP CC(C)COC[C@H](O)C[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000534228397 504078292 /nfs/dbraw/zinc/07/82/92/504078292.db2.gz NZNNYZFPDOOQQZ-OAQYLSRUSA-N 2 0 360.542 3.008 20 0 FGADRP C[C@H](CNC(=O)NCC[C@H](C)[NH+]1CCCCC1)[N@H+](C)Cc1ccccc1 ZINC000544303738 504080008 /nfs/dbraw/zinc/08/00/08/504080008.db2.gz SCKOXEDPRNAKGZ-RBUKOAKNSA-N 2 0 360.546 3.071 20 0 FGADRP CC(C)[N@H+](C)CC1CCN(C(=O)NCC[C@H](C)[NH+]2CCCCC2)CC1 ZINC000544332571 504091642 /nfs/dbraw/zinc/09/16/42/504091642.db2.gz RLOGOJDRZPWHAJ-SFHVURJKSA-N 2 0 352.567 3.013 20 0 FGADRP C[C@@H](CCNC(=O)C1CC[NH+](Cc2ccccc2)CC1)[NH+]1CCCCC1 ZINC000544334801 504092225 /nfs/dbraw/zinc/09/22/25/504092225.db2.gz WFHDSWCGGAORCJ-IBGZPJMESA-N 2 0 357.542 3.279 20 0 FGADRP O=C(NC[C@@H]1CC[N@@H+]1C1CCCCC1)N1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000528151417 504093404 /nfs/dbraw/zinc/09/34/04/504093404.db2.gz ZGOJASSHBBCQKP-YYWHXJBOSA-N 2 0 374.573 3.052 20 0 FGADRP COc1ccc2c(c1)OC[C@H]([NH2+][C@H]1CCN(Cc3ccccc3)C[C@H]1C)C2 ZINC000537960328 504095793 /nfs/dbraw/zinc/09/57/93/504095793.db2.gz QWIJYEZKRIBPPL-ZNLUXHQJSA-N 2 0 366.505 3.499 20 0 FGADRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]CCOc1ncc(C(F)(F)F)cc1Cl ZINC000537987407 504103559 /nfs/dbraw/zinc/10/35/59/504103559.db2.gz OCLJWGWWIXYNAJ-GXFFZTMASA-N 2 0 351.800 3.062 20 0 FGADRP C[NH+]1CCC([C@@H]2CCN(C(=O)[C@@H]3CCC[N@H+](Cc4ccccc4)C3)C2)CC1 ZINC000534411769 504133941 /nfs/dbraw/zinc/13/39/41/504133941.db2.gz QGGNJDPWYPODMW-FGZHOGPDSA-N 2 0 369.553 3.089 20 0 FGADRP C[NH+]1CCC([C@H]2CCN(C(=O)[C@H]3CCC[N@H+](Cc4ccccc4)C3)C2)CC1 ZINC000534411771 504134618 /nfs/dbraw/zinc/13/46/18/504134618.db2.gz QGGNJDPWYPODMW-VXKWHMMOSA-N 2 0 369.553 3.089 20 0 FGADRP CC[NH+](CC)[C@H](C(=O)NCc1ccc(C[NH+](C)C)cc1)c1ccccc1 ZINC000519083395 504135906 /nfs/dbraw/zinc/13/59/06/504135906.db2.gz KMRHMWNAEOYDDJ-NRFANRHFSA-N 2 0 353.510 3.448 20 0 FGADRP O[C@H](CCc1ccccc1)C[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000541535943 504167847 /nfs/dbraw/zinc/16/78/47/504167847.db2.gz YOGYWEQLKHGWHQ-MOUTVQLLSA-N 2 0 364.533 3.480 20 0 FGADRP CC[NH+](CC)CC1CC[NH+]([C@H](C)C(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)CC1 ZINC000519224214 504169021 /nfs/dbraw/zinc/16/90/21/504169021.db2.gz WJQMRQPYPKYLSU-AJYBTWMASA-N 2 0 351.579 3.370 20 0 FGADRP CC[C@@H]1CCC[N@H+](CC(=O)N2CCC[NH+](Cc3ccccc3C)CC2)C1 ZINC000519285582 504182864 /nfs/dbraw/zinc/18/28/64/504182864.db2.gz BNWLPQOXRMNPJM-HXUWFJFHSA-N 2 0 357.542 3.151 20 0 FGADRP CCc1ccc([C@H](CNC(=O)N(C)[C@H](C)C2CC[NH+](C)CC2)[NH+](C)C)cc1 ZINC000544634770 504199469 /nfs/dbraw/zinc/19/94/69/504199469.db2.gz VFWHHZZMUUIINE-UTKZUKDTSA-N 2 0 374.573 3.223 20 0 FGADRP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)NCCCC[N@H+]1CCCC[C@H]1C ZINC000519381312 504207997 /nfs/dbraw/zinc/20/79/97/504207997.db2.gz WXWUDGWFLFVUTG-GUDVDZBRSA-N 2 0 352.567 3.203 20 0 FGADRP CCC1(CNC(=O)N(C)CCC[NH+](C)C)CC[NH+](Cc2ccccc2)CC1 ZINC000544669118 504210940 /nfs/dbraw/zinc/21/09/40/504210940.db2.gz LYSBMSRDWINHCW-UHFFFAOYSA-N 2 0 374.573 3.272 20 0 FGADRP C[C@H](c1cc(F)ccc1F)[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000541662499 504214044 /nfs/dbraw/zinc/21/40/44/504214044.db2.gz QWMXRUTVTKKGLH-MRXNPFEDSA-N 2 0 351.485 3.375 20 0 FGADRP CC(C)CO[C@@H]1C[C@H]([NH2+]CC2(N3CCCCC3)CC[NH+](C)CC2)C1(C)C ZINC000538394174 504233038 /nfs/dbraw/zinc/23/30/38/504233038.db2.gz QALOGUUPVLDUSP-VQTJNVASSA-N 2 0 365.606 3.366 20 0 FGADRP C[C@H]1CCN(C(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)C[C@H]1C[NH3+] ZINC000519529662 504241765 /nfs/dbraw/zinc/24/17/65/504241765.db2.gz IKNDVKUTRWMLOL-GHTZIAJQSA-N 2 0 372.557 3.189 20 0 FGADRP CCC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N(C)C[C@@H]1CCC[NH+](C)C1 ZINC000528577860 504279462 /nfs/dbraw/zinc/27/94/62/504279462.db2.gz BSESLJNHBQHGRZ-YPAWHYETSA-N 2 0 371.569 3.335 20 0 FGADRP CC[NH+]1CCC(CNC(=O)Nc2cc(C[NH3+])cc(C(F)(F)F)c2)CC1 ZINC000519748681 504326023 /nfs/dbraw/zinc/32/60/23/504326023.db2.gz VSFJSDJPLFQMPZ-UHFFFAOYSA-N 2 0 358.408 3.018 20 0 FGADRP C[C@H]([NH2+]CCCN(C)CC(F)(F)F)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000548155884 504351023 /nfs/dbraw/zinc/35/10/23/504351023.db2.gz ZFEXWIOSMMQCCX-WMZOPIPTSA-N 2 0 357.464 3.371 20 0 FGADRP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000519920160 504384109 /nfs/dbraw/zinc/38/41/09/504384109.db2.gz QGJOQRUDIZBIJL-DYQZNNLLSA-N 2 0 371.569 3.381 20 0 FGADRP CC[NH+](CC)[C@H](C(=O)NC[C@H](Cc1ccccc1)[NH+](C)C)c1ccccc1 ZINC000535262920 504386646 /nfs/dbraw/zinc/38/66/46/504386646.db2.gz YPHVEADZGLQHKG-VXKWHMMOSA-N 2 0 367.537 3.359 20 0 FGADRP C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)N[C@H]2CCn3ccnc3C2)c1 ZINC000548310509 504394499 /nfs/dbraw/zinc/39/44/99/504394499.db2.gz YOHIRCIHHCDSSU-NRFANRHFSA-N 2 0 374.488 3.260 20 0 FGADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]CCNc1ncc(C(F)(F)F)cc1Cl ZINC000531723894 504405226 /nfs/dbraw/zinc/40/52/26/504405226.db2.gz RDYYEUNVSRQPNF-JTNHKYCSSA-N 2 0 364.843 3.484 20 0 FGADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]C[C@@H](c1ccco1)N1CCCC1 ZINC000542321769 504450055 /nfs/dbraw/zinc/45/00/55/504450055.db2.gz BXGUFVLDFIOIAU-IBGZPJMESA-N 2 0 351.454 3.095 20 0 FGADRP CCC[NH+]1CCN(c2ccccc2C[NH+]2CCC(CCCO)CC2)CC1 ZINC000520279266 504453179 /nfs/dbraw/zinc/45/31/79/504453179.db2.gz UUNNRLNJYVCRDQ-UHFFFAOYSA-N 2 0 359.558 3.203 20 0 FGADRP Cc1ccc([C@H](CNC(=O)N2CC[NH+](CC(C)C)CC2)[NH+]2CCCC2)cc1 ZINC000520296822 504458219 /nfs/dbraw/zinc/45/82/19/504458219.db2.gz VJMONMOJLLAXSX-NRFANRHFSA-N 2 0 372.557 3.115 20 0 FGADRP CC1(C)CCCC[C@H]1[NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000520365843 504479437 /nfs/dbraw/zinc/47/94/37/504479437.db2.gz RWGAWSNLEDEYOH-HXUWFJFHSA-N 2 0 357.542 3.442 20 0 FGADRP CCCCCC(=O)NC1CC[NH+](Cc2cn(-c3cc[nH+]cc3)nc2C)CC1 ZINC000542464313 504500874 /nfs/dbraw/zinc/50/08/74/504500874.db2.gz QJTARVGMOXKEPK-UHFFFAOYSA-N 2 0 369.513 3.237 20 0 FGADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H]2CCCOc3cc(Cl)ccc32)CC1 ZINC000539307072 504525336 /nfs/dbraw/zinc/52/53/36/504525336.db2.gz NVZZJYNAJCQIAS-YJBOKZPZSA-N 2 0 351.922 3.169 20 0 FGADRP C[N@@H+]1CCCN(CCC[NH2+][C@@H]2CCCOc3cc(Cl)ccc32)CC1 ZINC000539316637 504527676 /nfs/dbraw/zinc/52/76/76/504527676.db2.gz CHVBQBQYZUEMLV-GOSISDBHSA-N 2 0 351.922 3.171 20 0 FGADRP CC(C)(C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[C@H]([NH3+])c1ccccc1 ZINC000520572711 504531201 /nfs/dbraw/zinc/53/12/01/504531201.db2.gz ISJBRIUUVPWRPN-OAQYLSRUSA-N 2 0 365.521 3.493 20 0 FGADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)N[C@H]2CC[NH+]([C@H](C)c3ccccc3)C2)C1 ZINC000520578418 504533566 /nfs/dbraw/zinc/53/35/66/504533566.db2.gz KJLVJHUWOGXTMC-SBHAEUEKSA-N 2 0 372.557 3.242 20 0 FGADRP COc1cc(OC)c(OC)cc1C[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000535811960 504552981 /nfs/dbraw/zinc/55/29/81/504552981.db2.gz JFEARSYFIRSCPA-UHFFFAOYSA-N 2 0 350.503 3.265 20 0 FGADRP COc1ccccc1C[C@H](C)[NH2+]C[C@@H](c1cccs1)N1CCN(C)CC1 ZINC000532187393 504565560 /nfs/dbraw/zinc/56/55/60/504565560.db2.gz BUWCQAIJVUKIHI-HKUYNNGSSA-N 2 0 373.566 3.266 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cccc(C)c1Cl ZINC000535860148 504565971 /nfs/dbraw/zinc/56/59/71/504565971.db2.gz DDWUYCBGFYJPRI-INIZCTEOSA-N 2 0 351.922 3.137 20 0 FGADRP C[C@H](CC[NH+](C)C)[NH2+][C@H](C)CC(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000532217805 504576435 /nfs/dbraw/zinc/57/64/35/504576435.db2.gz JMTGIVSLMODJCX-CHWSQXEVSA-N 2 0 361.408 3.232 20 0 FGADRP C[C@H]([NH2+][C@@H](CN1CC[NH+](C)CC1)c1ccccc1)c1ccc2c(c1)OCO2 ZINC000532220770 504578156 /nfs/dbraw/zinc/57/81/56/504578156.db2.gz XDBVOLWNNAANCB-PXNSSMCTSA-N 2 0 367.493 3.055 20 0 FGADRP c1cnc(N2CCC([NH2+]C[C@@H]3CCC[N@@H+]3CC3CCCCC3)CC2)cn1 ZINC000532227811 504580642 /nfs/dbraw/zinc/58/06/42/504580642.db2.gz XTAITARBCLFBCI-FQEVSTJZSA-N 2 0 357.546 3.080 20 0 FGADRP CCCC[N@H+](C)CC1CC[NH+]([C@H](C)C(=O)NCc2ccccc2C)CC1 ZINC000520793175 504584391 /nfs/dbraw/zinc/58/43/91/504584391.db2.gz QXNAGIBGHJOQKW-LJQANCHMSA-N 2 0 359.558 3.444 20 0 FGADRP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H]3C[C@@H](OCC(C)C)C3(C)C)cn2)CC1 ZINC000539498958 504591199 /nfs/dbraw/zinc/59/11/99/504591199.db2.gz YOFBTZFYTNFJJO-WOJBJXKFSA-N 2 0 374.573 3.153 20 0 FGADRP CC[NH+]1CCN(c2ccc(C[NH2+][C@H]3C[C@H](OCC(C)C)C3(C)C)cn2)CC1 ZINC000539498955 504591559 /nfs/dbraw/zinc/59/15/59/504591559.db2.gz YOFBTZFYTNFJJO-PMACEKPBSA-N 2 0 374.573 3.153 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N[C@H]2CC[NH2+]C23CCC3)cc1 ZINC000529289246 504621375 /nfs/dbraw/zinc/62/13/75/504621375.db2.gz NVIWYBSDQLIULX-XLIONFOSSA-N 2 0 370.541 3.145 20 0 FGADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N[C@@H]2CC[NH2+]C23CCC3)cc1 ZINC000529289244 504621726 /nfs/dbraw/zinc/62/17/26/504621726.db2.gz NVIWYBSDQLIULX-FXAWDEMLSA-N 2 0 370.541 3.145 20 0 FGADRP CCC1(CC)[C@H]([NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H]2CO)C[C@H]1OC ZINC000542847864 504633227 /nfs/dbraw/zinc/63/32/27/504633227.db2.gz YCUJYJMDDMGNLH-PWRODBHTSA-N 2 0 360.542 3.327 20 0 FGADRP CC[NH+](CC)CCOc1ccc(C[NH2+][C@H]2CCCOCC2)cc1OC ZINC000536180546 504658544 /nfs/dbraw/zinc/65/85/44/504658544.db2.gz ZSEFBJPDGQJGTP-SFHVURJKSA-N 2 0 350.503 3.075 20 0 FGADRP CN(CCC[NH+]1CCCC1)C(=O)[C@H]1CCCCN1Cc1ccc(F)cc1 ZINC000545986412 504666028 /nfs/dbraw/zinc/66/60/28/504666028.db2.gz HSZKVRLNZCIGHL-HXUWFJFHSA-N 2 0 361.505 3.125 20 0 FGADRP CCCC[N@H+](C)CC1CC[NH+]([C@H](C)C(=O)NCCc2ccccc2C)CC1 ZINC000521429774 504736222 /nfs/dbraw/zinc/73/62/22/504736222.db2.gz ACCWMIQGPZSWDR-HXUWFJFHSA-N 2 0 373.585 3.486 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)NCC1([NH+](C)C)CCCCC1)c1ccco1 ZINC000521509561 504750272 /nfs/dbraw/zinc/75/02/72/504750272.db2.gz MSUZKWVMQWZTIT-QGZVFWFLSA-N 2 0 364.534 3.226 20 0 FGADRP C[C@@H](C[NH2+]C[C@H]1CCN1C1CCCCC1)c1ccc(S(C)(=O)=O)cc1 ZINC000529641208 504750693 /nfs/dbraw/zinc/75/06/93/504750693.db2.gz OFVWRUFVCVPLQP-QFBILLFUSA-N 2 0 364.555 3.190 20 0 FGADRP C[C@@H]1CN(c2ccccc2C[NH2+]C[C@H]2CCN2C2CCCCC2)CCO1 ZINC000529643168 504750990 /nfs/dbraw/zinc/75/09/90/504750990.db2.gz VRYZAJPNFMOYPG-WIYYLYMNSA-N 2 0 357.542 3.408 20 0 FGADRP CCCC[NH+]1CCC([NH2+]C[C@@H](O)COc2ccc(SC)cc2)CC1 ZINC000521613030 504764638 /nfs/dbraw/zinc/76/46/38/504764638.db2.gz QAPKKBOUSJPLDS-QGZVFWFLSA-N 2 0 352.544 3.002 20 0 FGADRP O=C(NCC[NH2+]C1CC[NH+](C2CCCCC2)CC1)c1ccc(Cl)cc1 ZINC000552902723 504785470 /nfs/dbraw/zinc/78/54/70/504785470.db2.gz GDJDSTWQXXJFDR-UHFFFAOYSA-N 2 0 363.933 3.457 20 0 FGADRP O=C(N[C@H]1CC[N@@H+](C2CCCC2)C1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000553048473 504813155 /nfs/dbraw/zinc/81/31/55/504813155.db2.gz MWQSWYBASSKLBD-FQEVSTJZSA-N 2 0 355.526 3.419 20 0 FGADRP CC[C@@H](C(=O)NCc1cccc(C[NH+](C)C)c1)[N@H+](C)Cc1ccccc1 ZINC000559271992 504816436 /nfs/dbraw/zinc/81/64/36/504816436.db2.gz SSJZSGLTQXIWSW-NRFANRHFSA-N 2 0 353.510 3.275 20 0 FGADRP CC(C)[C@]1(CO)CCC[N@@H+](C[C@@H](C)C[NH+]2CCC[C@](CO)(C(C)C)C2)C1 ZINC000559424515 504859328 /nfs/dbraw/zinc/85/93/28/504859328.db2.gz IXUIAZMPPRXKHY-DKUWSORSSA-N 2 0 368.606 3.084 20 0 FGADRP C[C@@H](NC(=O)C[NH+]1CCC(C[NH+](C)C)CC1)c1ccc(Cl)c(Cl)c1 ZINC000556382739 504859432 /nfs/dbraw/zinc/85/94/32/504859432.db2.gz XIYDCOGSCDIJJM-CYBMUJFWSA-N 2 0 372.340 3.444 20 0 FGADRP c1ccc2c(c1)O[C@@]1(CC[NH2+]C1)C[C@H]2[NH2+]C1(c2ccc3c(c2)OCO3)CC1 ZINC000565533630 504914906 /nfs/dbraw/zinc/91/49/06/504914906.db2.gz FPMKWESFTYRWJV-UTKZUKDTSA-N 2 0 364.445 3.250 20 0 FGADRP [NH3+]Cc1cn([C@@H]2CCC[N@H+](Cc3ccc(-c4ccccc4)s3)C2)nn1 ZINC000562750864 504933532 /nfs/dbraw/zinc/93/35/32/504933532.db2.gz XJVAFEFMKHQJCJ-QGZVFWFLSA-N 2 0 353.495 3.302 20 0 FGADRP C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000553510653 504935838 /nfs/dbraw/zinc/93/58/38/504935838.db2.gz GOEZDKJTDYYLDT-SLYNCCJLSA-N 2 0 373.516 3.123 20 0 FGADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]C[C@@H](O)CO[C@H]2CCCc3ccccc32)C1 ZINC000565654874 504950187 /nfs/dbraw/zinc/95/01/87/504950187.db2.gz NRAQBNHLTVMXGZ-LSWJPFSZSA-N 2 0 374.569 3.399 20 0 FGADRP Fc1ccc(-n2nc(C[NH+]3CCC([C@H]4CC[NH2+]C4)CC3)c3c2CCC3)cc1 ZINC000565658043 504950826 /nfs/dbraw/zinc/95/08/26/504950826.db2.gz JNBRFYYRECKWSZ-KRWDZBQOSA-N 2 0 368.500 3.322 20 0 FGADRP CC[NH+](CC)C[C@@H](C)NC(=O)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000553598620 504959052 /nfs/dbraw/zinc/95/90/52/504959052.db2.gz DJLXCFPXYAQVMF-KNQAVFIVSA-N 2 0 372.557 3.024 20 0 FGADRP [NH3+][C@H]1CCCO[C@H]1C1CC[NH+](Cc2ncc(-c3ccc(F)cc3)o2)CC1 ZINC000562839011 504961549 /nfs/dbraw/zinc/96/15/49/504961549.db2.gz XJVNROUTIVNIFN-PXNSSMCTSA-N 2 0 359.445 3.199 20 0 FGADRP C[C@H]([NH2+]C1CCN(Cc2coc(-c3ccccc3)n2)CC1)[C@@H]1CCC[NH2+]1 ZINC000565710591 504965848 /nfs/dbraw/zinc/96/58/48/504965848.db2.gz WLTSWAJQDXBGDX-JXFKEZNVSA-N 2 0 354.498 3.036 20 0 FGADRP CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)[C@H](C)[NH+]2[C@H](C)CC[C@H]2C)c1 ZINC000565796779 504990008 /nfs/dbraw/zinc/99/00/08/504990008.db2.gz ZYQSUJBATBAPBQ-ZACQAIPSSA-N 2 0 374.529 3.167 20 0 FGADRP CC(C)[C@@H](CNC(=O)c1ccc2c[nH+]cn2c1)[N@@H+]1CCc2ccccc2C1 ZINC000550214160 504993980 /nfs/dbraw/zinc/99/39/80/504993980.db2.gz LLJUTPJXBVWTLU-OAQYLSRUSA-N 2 0 362.477 3.147 20 0 FGADRP COc1ccc(C[NH+]2CCC(C[NH2+][C@@H]3CC[N@H+](C)[C@@H]4CCC[C@H]43)CC2)cc1 ZINC000556870581 505000861 /nfs/dbraw/zinc/00/08/61/505000861.db2.gz GRHGWPKYRNRHIM-YTFSRNRJSA-N 2 0 371.569 3.370 20 0 FGADRP c1[nH]nc(-c2ccc3c(c2)OCO3)c1C[NH2+]CCCCC[NH+]1CCCC1 ZINC000550263172 505005755 /nfs/dbraw/zinc/00/57/55/505005755.db2.gz JJSABUMENHBXKQ-UHFFFAOYSA-N 2 0 356.470 3.161 20 0 FGADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N1C[C@H]([NH+]2CCCC2)C[C@H]1C ZINC000553777735 505006712 /nfs/dbraw/zinc/00/67/12/505006712.db2.gz HFBDFWOEKSGTIA-WIYYLYMNSA-N 2 0 372.557 3.295 20 0 FGADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N1C[C@@H]([NH+]2CCCC2)C[C@H]1C ZINC000553777733 505006724 /nfs/dbraw/zinc/00/67/24/505006724.db2.gz HFBDFWOEKSGTIA-NQIIRXRSSA-N 2 0 372.557 3.295 20 0 FGADRP CC(C)[NH+]1CCN(c2cccc(NC(=O)C[C@H]([NH3+])c3ccccc3)c2)CC1 ZINC000563086594 505043357 /nfs/dbraw/zinc/04/33/57/505043357.db2.gz MMKUGRYMAYIRHV-NRFANRHFSA-N 2 0 366.509 3.246 20 0 FGADRP Cc1sccc1C[NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000557033409 505049211 /nfs/dbraw/zinc/04/92/11/505049211.db2.gz PAICWQYYJVWKMC-UHFFFAOYSA-N 2 0 357.523 3.172 20 0 FGADRP FC(F)(F)CN1CC[C@H]([NH2+][C@@H]2CCN(Cc3ccccc3)C3(CC3)C2)C1 ZINC000563120110 505052873 /nfs/dbraw/zinc/05/28/73/505052873.db2.gz RVGBHRWABMLBSN-MSOLQXFVSA-N 2 0 367.459 3.410 20 0 FGADRP CCc1cccc(CC)c1NC(=O)[C@H](C)[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000563149784 505060813 /nfs/dbraw/zinc/06/08/13/505060813.db2.gz JCCQPVGLQYDFJP-JXFKEZNVSA-N 2 0 357.542 3.460 20 0 FGADRP CC1(C(=O)Nc2ccc(OCC[NH3+])cc2)CC[NH+](Cc2ccccc2)CC1 ZINC000566062998 505069071 /nfs/dbraw/zinc/06/90/71/505069071.db2.gz RXLVSMWGFWRTLE-UHFFFAOYSA-N 2 0 367.493 3.265 20 0 FGADRP CC[NH2+]CCC[NH2+]C1CCN(Cc2ccccc2Br)CC1 ZINC000566088036 505076461 /nfs/dbraw/zinc/07/64/61/505076461.db2.gz OVRNGOVSUSQGJY-UHFFFAOYSA-N 2 0 354.336 3.003 20 0 FGADRP COCCN(C)CC[C@H]([NH2+][C@H]1CCO[C@H](C(F)(F)F)C1)c1ccccc1 ZINC000554069448 505080636 /nfs/dbraw/zinc/08/06/36/505080636.db2.gz RUZFUOTZCDCHEF-BZSNNMDCSA-N 2 0 374.447 3.396 20 0 FGADRP O=C(NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)[C@]12C[NH2+]C[C@@H]1CCCC2 ZINC000566179456 505105276 /nfs/dbraw/zinc/10/52/76/505105276.db2.gz KSLNCQHBZZMCLI-ZVJPXFDHSA-N 2 0 367.537 3.078 20 0 FGADRP CN(C)Cc1ccc(NC(=O)c2ccc3c(c2)C[NH2+]C3)cc1Br ZINC000566195999 505109786 /nfs/dbraw/zinc/10/97/86/505109786.db2.gz BJTCYILADBHFDG-UHFFFAOYSA-N 2 0 374.282 3.366 20 0 FGADRP C[N@@H+]1CC[C@H]([NH2+]C[C@H](CO)Cc2ccc(C(F)(F)F)cc2)[C@H]2CCC[C@H]21 ZINC000560544436 505120898 /nfs/dbraw/zinc/12/08/98/505120898.db2.gz QRHPUPZTDHOHCM-OQIJWPOYSA-N 2 0 370.459 3.319 20 0 FGADRP C[N@@H+]1CC[C@H]([NH2+]CCCOc2ccc(C(F)(F)F)cn2)[C@@H]2CCC[C@H]21 ZINC000560550033 505122514 /nfs/dbraw/zinc/12/25/14/505122514.db2.gz TURMXKKRSDDBFH-HRCADAONSA-N 2 0 357.420 3.332 20 0 FGADRP CCC[N@H+](CC)C[C@@H](C)NC(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000566398465 505164187 /nfs/dbraw/zinc/16/41/87/505164187.db2.gz ZKHDNOWHWMKTDD-SJORKVTESA-N 2 0 366.575 3.305 20 0 FGADRP Cc1ncncc1[C@@H](C)[NH2+]CCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000563548707 505173922 /nfs/dbraw/zinc/17/39/22/505173922.db2.gz KCTIGSMWMMLQCD-GOSISDBHSA-N 2 0 353.514 3.038 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N2CC[NH+]3CCC2CC3)cc1 ZINC000551272010 505190037 /nfs/dbraw/zinc/19/00/37/505190037.db2.gz UTQBTDPYXWNXMJ-GOSISDBHSA-N 2 0 370.541 3.051 20 0 FGADRP NC1(C[NH2+]Cc2ccnc3ccccc23)CC[NH+](Cc2ccccc2)CC1 ZINC000560979303 505221859 /nfs/dbraw/zinc/22/18/59/505221859.db2.gz BQXCVQJQAIOZNM-UHFFFAOYSA-N 2 0 360.505 3.318 20 0 FGADRP COc1ccc(C[NH+]2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)c(OC(F)F)c1 ZINC000560981424 505222034 /nfs/dbraw/zinc/22/20/34/505222034.db2.gz USMIWJKOIRVGCN-SJLPKXTDSA-N 2 0 370.440 3.015 20 0 FGADRP CCCN(CCC[NH+](C)C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C ZINC000554622076 505225540 /nfs/dbraw/zinc/22/55/40/505225540.db2.gz MGMBBUPFTKVYHJ-QUCCMNQESA-N 2 0 360.546 3.023 20 0 FGADRP C[C@@H]1C[NH+](CCCCC[N@H+]2C[C@@H](C)OC3(CCC3)C2)CC2(CCC2)O1 ZINC000566676524 505241405 /nfs/dbraw/zinc/24/14/05/505241405.db2.gz RCUWVGWUYDSETP-RTBURBONSA-N 2 0 350.547 3.444 20 0 FGADRP CN(C(=O)[C@H](Cc1ccccc1)[NH2+][C@H]1CCC[C@@H]([NH3+])C1)c1ccccc1 ZINC000563821606 505248793 /nfs/dbraw/zinc/24/87/93/505248793.db2.gz VKMOMVBXONIEFK-DYXWJJEUSA-N 2 0 351.494 3.120 20 0 FGADRP C[NH+](C)CCc1ccc(C(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)cc1 ZINC000563896819 505269469 /nfs/dbraw/zinc/26/94/69/505269469.db2.gz IAOTWBOWBZYWCE-OAQYLSRUSA-N 2 0 357.542 3.318 20 0 FGADRP C[C@H]([NH3+])[C@H]1CCCN(C(=O)NCc2ccccc2C[NH+]2CCCCCC2)C1 ZINC000561196948 505277908 /nfs/dbraw/zinc/27/79/08/505277908.db2.gz KENJAMGWYPNREL-ICSRJNTNSA-N 2 0 372.557 3.331 20 0 FGADRP CCC[NH+]1CCC(N(C)C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1 ZINC000551699021 505285070 /nfs/dbraw/zinc/28/50/70/505285070.db2.gz JJZZANMMRZTRRH-QFIPXVFZSA-N 2 0 359.558 3.084 20 0 FGADRP CN(CCC[N@H+](C)Cc1ccncc1)C(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC000564005198 505299812 /nfs/dbraw/zinc/29/98/12/505299812.db2.gz FVJSPZITPONWGX-NRFANRHFSA-N 2 0 372.557 3.159 20 0 FGADRP C[C@@H](C(=O)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1)[NH+]1CCCCCC1 ZINC000561282981 505304349 /nfs/dbraw/zinc/30/43/49/505304349.db2.gz LFDPLERPCYMFDW-REWPJTCUSA-N 2 0 369.553 3.376 20 0 FGADRP O=C(CC[N@@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1)Nc1ccccc1 ZINC000554959505 505311810 /nfs/dbraw/zinc/31/18/10/505311810.db2.gz GHEBRYZWPJGGKY-NHCUHLMSSA-N 2 0 363.505 3.469 20 0 FGADRP C[C@@H]([NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1cccc(-n2ccnn2)c1 ZINC000558261240 505346775 /nfs/dbraw/zinc/34/67/75/505346775.db2.gz ZXKDLZBJKFIGDY-QUCCMNQESA-N 2 0 361.493 3.440 20 0 FGADRP CC[C@@H]([NH2+]C[C@H](C)N1CC[NH+](C)CC1)c1ccc(OC(F)(F)F)cc1 ZINC000552048623 505381859 /nfs/dbraw/zinc/38/18/59/505381859.db2.gz YIYBXCZBNGCMNJ-WMLDXEAASA-N 2 0 359.436 3.262 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1cccc(OC(F)F)c1 ZINC000564319316 505382645 /nfs/dbraw/zinc/38/26/45/505382645.db2.gz HTZFSPLVOSSPPK-KRWDZBQOSA-N 2 0 355.473 3.136 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1cc(F)cc2cccnc21 ZINC000564319636 505383001 /nfs/dbraw/zinc/38/30/01/505383001.db2.gz LNALLPCHBDNRPX-HXUWFJFHSA-N 2 0 358.505 3.222 20 0 FGADRP Cc1nc(C[NH2+]CCc2ccc(OCC[N@H+]3C[C@H](C)[C@H](C)C3)cc2)[nH]c1C ZINC000567180432 505386969 /nfs/dbraw/zinc/38/69/69/505386969.db2.gz JFPGROKNZBYJAR-CALCHBBNSA-N 2 0 370.541 3.325 20 0 FGADRP C[C@@H](C(=O)N1[C@@H]2CC[C@H]1CC[N@@H+](C)C2)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000564382847 505401850 /nfs/dbraw/zinc/40/18/50/505401850.db2.gz YYEHJCJKUBTTQY-YUXAGFNASA-N 2 0 369.553 3.025 20 0 FGADRP CCc1[nH+]c2ccccc2c(N2CC[C@@H]([NH+]3CCN(CC)CC3)C2)c1C ZINC000558493633 505407630 /nfs/dbraw/zinc/40/76/30/505407630.db2.gz RPGYSBCIRLFRGV-GOSISDBHSA-N 2 0 352.526 3.322 20 0 FGADRP CSC1(C[NH2+][C@@H](C)CC(=O)Nc2cccc(C)c2C)CC[NH+](C)CC1 ZINC000558507843 505412123 /nfs/dbraw/zinc/41/21/23/505412123.db2.gz QRAZOQWRBZOUGT-INIZCTEOSA-N 2 0 363.571 3.438 20 0 FGADRP COCC[C@](C)(O)C[NH2+][C@@H]1CCCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000552245002 505439989 /nfs/dbraw/zinc/43/99/89/505439989.db2.gz QBDLODSKGPQEED-CBPXPLCBSA-N 2 0 360.542 3.054 20 0 FGADRP C[N@@H+]1CC[C@H]([NH2+]CC2CCN(C(=O)c3ccccc3)CC2)[C@@H]2CCC[C@@H]21 ZINC000552246474 505440055 /nfs/dbraw/zinc/44/00/55/505440055.db2.gz VUYZBPFPAFUTOU-ACRUOGEOSA-N 2 0 355.526 3.001 20 0 FGADRP c1ccc(C[N@H+]2C[C@@H](C[NH2+]Cc3ccncc3)C3(C2)CCOCC3)cc1 ZINC000555612492 505474824 /nfs/dbraw/zinc/47/48/24/505474824.db2.gz OWKDPRNEUABSOB-OAQYLSRUSA-N 2 0 351.494 3.100 20 0 FGADRP C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)[C@@H]3C[C@H]4CCCC[C@H]4[NH2+]3)cc2)C1 ZINC000561947907 505474971 /nfs/dbraw/zinc/47/49/71/505474971.db2.gz JEDMPOKGIRICAA-CIQXWFTPSA-N 2 0 369.553 3.455 20 0 FGADRP Clc1ccccc1[C@@H]1CCC[C@H]1[NH2+]Cc1nnc(C2CC[NH2+]CC2)[nH]1 ZINC000567492570 505479443 /nfs/dbraw/zinc/47/94/43/505479443.db2.gz GBGHYHMGPVFCDU-DOTOQJQBSA-N 2 0 359.905 3.351 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccc2cc(C)ccc2n1 ZINC000555683997 505491542 /nfs/dbraw/zinc/49/15/42/505491542.db2.gz OEQXJFYBUDZOCD-LJQANCHMSA-N 2 0 368.525 3.031 20 0 FGADRP CC[C@@H](C(=O)NC[C@H](c1ccco1)[NH+]1CCCC1)[N@H+](C)Cc1ccccc1 ZINC000562034202 505497430 /nfs/dbraw/zinc/49/74/30/505497430.db2.gz RIOFWWMDFKFYGF-VQTJNVASSA-N 2 0 369.509 3.443 20 0 FGADRP CC(C)[NH+]1CCC(C(=O)NC[C@H](c2ccc(Cl)cc2)[NH+](C)C)CC1 ZINC000564719990 505501877 /nfs/dbraw/zinc/50/18/77/505501877.db2.gz BRLMXQXWCGOGMK-GOSISDBHSA-N 2 0 351.922 3.179 20 0 FGADRP C[NH2+]CCC(=O)NCc1ccccc1-c1ccc(C[NH+]2CCCC2)cc1 ZINC000564727223 505503857 /nfs/dbraw/zinc/50/38/57/505503857.db2.gz YYAKLCDVQAIVHL-UHFFFAOYSA-N 2 0 351.494 3.175 20 0 FGADRP Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+][C@@H](C)C[C@H](C)[NH3+] ZINC000567589185 505508170 /nfs/dbraw/zinc/50/81/70/505508170.db2.gz ZRLRCVMIWBWQRC-RYUDHWBXSA-N 2 0 351.292 3.159 20 0 FGADRP C[NH+](C)CCNC(=O)c1ccc(C[NH2+][C@H]2CCc3c2cccc3Cl)cc1 ZINC000552551435 505513018 /nfs/dbraw/zinc/51/30/18/505513018.db2.gz NQPNAVWFFMKOIB-FQEVSTJZSA-N 2 0 371.912 3.409 20 0 FGADRP [NH3+][C@H]1CCO[C@H](C2CC[NH+](Cc3ncc(-c4ccc(F)cc4)o3)CC2)C1 ZINC000564788421 505520354 /nfs/dbraw/zinc/52/03/54/505520354.db2.gz HWTNPMJIBIUTJW-ROUUACIJSA-N 2 0 359.445 3.199 20 0 FGADRP c1cn(-c2ccccc2C[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cn1 ZINC000567646097 505523437 /nfs/dbraw/zinc/52/34/37/505523437.db2.gz TYFJCHPXAYFDTQ-KNQAVFIVSA-N 2 0 360.461 3.218 20 0 FGADRP C[NH+](C)Cc1cccc(C[NH2+]C[C@@H](O)Cc2ccc(C(F)(F)F)cc2)c1 ZINC000564843658 505535822 /nfs/dbraw/zinc/53/58/22/505535822.db2.gz WZPIOZDANAPNHI-IBGZPJMESA-N 2 0 366.427 3.460 20 0 FGADRP C[C@H](c1ccccc1)[C@@H](O)C[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000567691247 505538652 /nfs/dbraw/zinc/53/86/52/505538652.db2.gz SLVNTLOKKCSJST-XXBNENTESA-N 2 0 368.521 3.415 20 0 FGADRP Cc1ccccc1[C@H]([NH3+])C(=O)Nc1ccc(OCC[N@H+]2CC[C@@H](C)C2)cc1 ZINC000564924573 505559648 /nfs/dbraw/zinc/55/96/48/505559648.db2.gz MCGJFZNYVNIELC-IERDGZPVSA-N 2 0 367.493 3.354 20 0 FGADRP CC(C)COc1ccc(C[NH+]2CCC(C[NH+]3CCN(C)CC3)CC2)cc1 ZINC000567794842 505563785 /nfs/dbraw/zinc/56/37/85/505563785.db2.gz MNULDASIEGHEDC-UHFFFAOYSA-N 2 0 359.558 3.181 20 0 FGADRP C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000567817472 505565764 /nfs/dbraw/zinc/56/57/64/505565764.db2.gz SKCSHRKZTFGFRS-FCHUYYIVSA-N 2 0 363.505 3.000 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)c1ccccc1Cl ZINC000599291598 506399456 /nfs/dbraw/zinc/39/94/56/506399456.db2.gz GDFPURZFGDEOPI-MSOLQXFVSA-N 2 0 351.922 3.323 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC000599314022 506409095 /nfs/dbraw/zinc/40/90/95/506409095.db2.gz IGFKMZVTYFVPMP-UEXGIBASSA-N 2 0 357.542 3.265 20 0 FGADRP CCC[N@H+](CCCCC(=O)OC)C1CCN(c2cc(C)nc(C)n2)CC1 ZINC000599327041 506413036 /nfs/dbraw/zinc/41/30/36/506413036.db2.gz FQPBUXGZFWZVDY-UHFFFAOYSA-N 2 0 362.518 3.118 20 0 FGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000589123050 506448497 /nfs/dbraw/zinc/44/84/97/506448497.db2.gz BQPBAJITISUOJH-NRFANRHFSA-N 2 0 357.542 3.409 20 0 FGADRP Cc1ccccc1C[N@@H+]1CCCN(c2cc(N3CCCCC3)ncn2)CC1 ZINC000599496005 506472469 /nfs/dbraw/zinc/47/24/69/506472469.db2.gz PNNCOIVBDCPWGD-UHFFFAOYSA-N 2 0 365.525 3.488 20 0 FGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C[NH+](C)Cc2ccccc2)CC1 ZINC000589506000 506572031 /nfs/dbraw/zinc/57/20/31/506572031.db2.gz LEUUYEHVPBPHRF-NRFANRHFSA-N 2 0 357.542 3.231 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)[C@@H]2CCc3nc[nH]c3C2)CC1 ZINC000612469945 506590339 /nfs/dbraw/zinc/59/03/39/506590339.db2.gz JDCTXTKDFCUUQL-SJLPKXTDSA-N 2 0 358.530 3.018 20 0 FGADRP C[C@@H](CNC(=O)N1CC[C@@H]([N@H+](C)Cc2ccccc2)C1)[NH+]1CCC(C)CC1 ZINC000608656141 506651586 /nfs/dbraw/zinc/65/15/86/506651586.db2.gz LDLOTPAVIKWRCN-PZJWPPBQSA-N 2 0 372.557 3.023 20 0 FGADRP CCc1ccc([C@H](C)C(=O)N(CC[NH+](C)C)C[C@H]2CCC[N@H+]2CC)cc1 ZINC000589947521 506685568 /nfs/dbraw/zinc/68/55/68/506685568.db2.gz KMJHRDQACDBTIE-GHTZIAJQSA-N 2 0 359.558 3.227 20 0 FGADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)[C@@H](C[NH+]2CCCC2)c2ccccc2)C1 ZINC000612720932 506706907 /nfs/dbraw/zinc/70/69/07/506706907.db2.gz ZKUDBDFMQYQMBW-IRLDBZIGSA-N 2 0 371.569 3.350 20 0 FGADRP CCC[NH+]1CCC(CNC(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000604112932 506718434 /nfs/dbraw/zinc/71/84/34/506718434.db2.gz KEYTVJZGQXBLTN-OAQYLSRUSA-N 2 0 372.557 3.072 20 0 FGADRP C[NH+]1CCC(CCNC(=O)N[C@H](C[NH+]2CCCCC2)c2ccccc2)CC1 ZINC000604190664 506744056 /nfs/dbraw/zinc/74/40/56/506744056.db2.gz HOQUZFGSLDGVFH-OAQYLSRUSA-N 2 0 372.557 3.245 20 0 FGADRP C[N@H+](CCNC(=O)N[C@@H](C[NH+]1CCCCC1)c1ccccc1)C1CCCC1 ZINC000604193724 506745324 /nfs/dbraw/zinc/74/53/24/506745324.db2.gz LMNHAWXGGIWUJF-NRFANRHFSA-N 2 0 372.557 3.387 20 0 FGADRP C[N@H+](CCNC(=O)N[C@H](C[NH+]1CCCCC1)c1ccccc1)C1CCCC1 ZINC000604193725 506745741 /nfs/dbraw/zinc/74/57/41/506745741.db2.gz LMNHAWXGGIWUJF-OAQYLSRUSA-N 2 0 372.557 3.387 20 0 FGADRP COC(=O)c1oc(C[NH2+]C2CCN(Cc3ccc(F)cc3)CC2)cc1C ZINC000597046361 506747506 /nfs/dbraw/zinc/74/75/06/506747506.db2.gz HYRPIDPBCGLGAS-UHFFFAOYSA-N 2 0 360.429 3.268 20 0 FGADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@H](C)c1ccc2c(c1)CCC(=O)N2 ZINC000583408799 506760807 /nfs/dbraw/zinc/76/08/07/506760807.db2.gz NOSQSJPVCKWDKP-CQSZACIVSA-N 2 0 361.449 3.311 20 0 FGADRP COC[C@H]1CCCC[N@@H+]1Cc1cncc(C[NH+]2CCCC[C@H]2COC)c1 ZINC000583422669 506770620 /nfs/dbraw/zinc/77/06/20/506770620.db2.gz WWZOYJWRDPVTPP-OYRHEFFESA-N 2 0 361.530 3.083 20 0 FGADRP C[NH+](C)CC[C@H](NC(=O)NCc1cccc(C[NH+]2CCCC2)c1)C(C)(C)C ZINC000604778427 506940174 /nfs/dbraw/zinc/94/01/74/506940174.db2.gz YCPHDBGGQXUVLM-FQEVSTJZSA-N 2 0 374.573 3.448 20 0 FGADRP CC(C)[N@H+](C)CC1CC[NH+](C[C@@H](O)COc2ccc(Cl)cc2)CC1 ZINC000590786496 506955634 /nfs/dbraw/zinc/95/56/34/506955634.db2.gz CNIRQQURZQGCMG-GOSISDBHSA-N 2 0 354.922 3.132 20 0 FGADRP C[C@H](CC[NH2+]CC1(O)CCC(C(=O)OC(C)(C)C)CC1)[NH+]1CCCCC1 ZINC000600738368 507092246 /nfs/dbraw/zinc/09/22/46/507092246.db2.gz ZLAZMONNJCXZQQ-MPQSDHOMSA-N 2 0 368.562 3.104 20 0 FGADRP CSC1(C[NH2+]CC2(O)CCC(c3ccccc3)CC2)CC[NH+](C)CC1 ZINC000600740938 507093376 /nfs/dbraw/zinc/09/33/76/507093376.db2.gz LLSRBFFVSOOUTA-UHFFFAOYSA-N 2 0 362.583 3.492 20 0 FGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H](c1ccccc1OC)[NH+]1CCCCC1 ZINC000591097762 507113865 /nfs/dbraw/zinc/11/38/65/507113865.db2.gz FIAFBIYZLJEKHK-UXHICEINSA-N 2 0 373.541 3.213 20 0 FGADRP CC[NH+](CC)CCNC(=O)c1ccccc1OCC[N@@H+]1CCCC[C@@H]1C ZINC000591096088 507114171 /nfs/dbraw/zinc/11/41/71/507114171.db2.gz PDNAOEKNLIYFRR-SFHVURJKSA-N 2 0 361.530 3.011 20 0 FGADRP Cc1cccc(CN(C)CC(=O)N2CCN([C@H](C)c3ccccc3)CC2)c1 ZINC000613505672 507123481 /nfs/dbraw/zinc/12/34/81/507123481.db2.gz KKAKJNNOMQGZMZ-HXUWFJFHSA-N 2 0 365.521 3.332 20 0 FGADRP c1nnc([C@@H](C[NH2+]C2CC[NH+](C3CCCCC3)CC2)c2ccccc2)[nH]1 ZINC000584093993 507147532 /nfs/dbraw/zinc/14/75/32/507147532.db2.gz MTPDVDIQSPTPRZ-FQEVSTJZSA-N 2 0 353.514 3.323 20 0 FGADRP CC[NH+](CC)CCOc1ccc(NC(=O)N[C@H]2CC[N@H+](CC3CC3)C2)cc1 ZINC000605340002 507152939 /nfs/dbraw/zinc/15/29/39/507152939.db2.gz FQTFNEATDPYNQY-IBGZPJMESA-N 2 0 374.529 3.013 20 0 FGADRP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCC[NH+](C)C2CCCC2)C1 ZINC000600871823 507155910 /nfs/dbraw/zinc/15/59/10/507155910.db2.gz GXNCFAIGYRTSJZ-KRWDZBQOSA-N 2 0 352.567 3.061 20 0 FGADRP CC[NH+](CC)CCOc1ccccc1NC(=O)NCc1ccc(C[NH3+])cc1 ZINC000584113139 507160265 /nfs/dbraw/zinc/16/02/65/507160265.db2.gz BSRZDUKPUGHMAQ-UHFFFAOYSA-N 2 0 370.497 3.188 20 0 FGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)Nc1ccc(OCC[NH+]2CCCC2)c(C)c1 ZINC000605559557 507241895 /nfs/dbraw/zinc/24/18/95/507241895.db2.gz KPLBCFIBXULDJK-LJQANCHMSA-N 2 0 359.514 3.283 20 0 FGADRP CC[N@H+](CCNC(=O)c1ccccc1OCC[NH+]1CCCC[C@H]1C)C1CC1 ZINC000591452516 507256042 /nfs/dbraw/zinc/25/60/42/507256042.db2.gz AJCUBNDPEXRPPP-GOSISDBHSA-N 2 0 373.541 3.154 20 0 FGADRP Cc1ccc([C@@H](CNC(=O)NC[C@@H](C(C)C)[NH+]2CCCC2)[NH+](C)C)cc1 ZINC000591579247 507301150 /nfs/dbraw/zinc/30/11/50/507301150.db2.gz GFGMXKAKTIFHQK-VQTJNVASSA-N 2 0 360.546 3.017 20 0 FGADRP CC(C)(CNC(=O)[C@H](C[NH+]1CCCC1)c1ccccc1)C[NH+]1CCCC1 ZINC000613948787 507313913 /nfs/dbraw/zinc/31/39/13/507313913.db2.gz DCALTOKRHSOHLC-HXUWFJFHSA-N 2 0 357.542 3.104 20 0 FGADRP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N2CCC[NH+](Cc3ccccc3)CC2)C1 ZINC000591618239 507315094 /nfs/dbraw/zinc/31/50/94/507315094.db2.gz LQCBJIRKGDZKRC-NRFANRHFSA-N 2 0 372.557 3.024 20 0 FGADRP COC(=O)CC1CC([NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000591656131 507324323 /nfs/dbraw/zinc/32/43/23/507324323.db2.gz KTELFVMBLCATCA-YWHRJQNKSA-N 2 0 356.510 3.218 20 0 FGADRP CCc1ccc([C@@H](CNC(=O)N2CCC[C@@H]2C[NH+]2CCCC2)[NH+](C)C)cc1 ZINC000584460957 507357953 /nfs/dbraw/zinc/35/79/53/507357953.db2.gz YWTSJORMYJPRQB-NHCUHLMSSA-N 2 0 372.557 3.122 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CC/C=C\c1ccccc1 ZINC000606360890 507374748 /nfs/dbraw/zinc/37/47/48/507374748.db2.gz YLSNMCIZYFPDNO-LUTRRODMSA-N 2 0 357.542 3.355 20 0 FGADRP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@@H](C)[C@@H]2c2ccc(C)cc2)CC1 ZINC000606540854 507440061 /nfs/dbraw/zinc/44/00/61/507440061.db2.gz NYWBUAAXUDWXQZ-XMSQKQJNSA-N 2 0 357.542 3.369 20 0 FGADRP O=C1C[C@H]([NH2+][C@@H]2CCCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CN1C1CC1 ZINC000584670687 507441574 /nfs/dbraw/zinc/44/15/74/507441574.db2.gz LSZDVFLECWJYKW-NPDDRXJXSA-N 2 0 367.537 3.030 20 0 FGADRP C[NH+](C)CCN(CC1CCCCC1)C(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000606619780 507456087 /nfs/dbraw/zinc/45/60/87/507456087.db2.gz QYWWIWDVGYRTNT-NRFANRHFSA-N 2 0 374.573 3.443 20 0 FGADRP C[C@@H](NC(=O)NCc1ccccc1C[NH+]1CCCCC1)C1CC[NH+](C)CC1 ZINC000606627885 507458171 /nfs/dbraw/zinc/45/81/71/507458171.db2.gz IRAFNUDFQYSDCG-GOSISDBHSA-N 2 0 372.557 3.202 20 0 FGADRP [NH3+]CCC1CC[NH+]([C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)CC1 ZINC000584785869 507504206 /nfs/dbraw/zinc/50/42/06/507504206.db2.gz RNVBRLZERWUMRF-INIZCTEOSA-N 2 0 356.297 3.160 20 0 FGADRP CC[C@H](Cc1ccccc1)C(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@@H+]1CC ZINC000602127395 507601437 /nfs/dbraw/zinc/60/14/37/507601437.db2.gz NBAKWDGGDUOPJC-RTWAWAEBSA-N 2 0 359.558 3.130 20 0 FGADRP C[NH+]1CCC(O)(C[NH2+]Cc2cn(Cc3ccccc3)c3ccccc23)CC1 ZINC000607167085 507641598 /nfs/dbraw/zinc/64/15/98/507641598.db2.gz LLXVAPZWBCTKCS-UHFFFAOYSA-N 2 0 363.505 3.236 20 0 FGADRP C[NH+]1CCC(N2CC[C@@H]([NH2+]Cc3ccc(-c4ccc(F)cc4)o3)C2)CC1 ZINC000602277253 507652836 /nfs/dbraw/zinc/65/28/36/507652836.db2.gz HTFBYWVRKRASHG-GOSISDBHSA-N 2 0 357.473 3.344 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C)c1cccc(OC)c1 ZINC000607279465 507675597 /nfs/dbraw/zinc/67/55/97/507675597.db2.gz XSGLFYHSSYBGTG-ABSDTBQOSA-N 2 0 361.530 3.067 20 0 FGADRP c1ccc(C[N@@H+]2CCCO[C@H](CN[C@@H]3CCC[C@@H]3[C@@H]3CCCC[NH2+]3)C2)cc1 ZINC000390870885 568396194 /nfs/dbraw/zinc/39/61/94/568396194.db2.gz OUGSNHQYRHYREB-BXXSPATCSA-N 2 0 371.569 3.178 20 0 FGADRP c1cc2c(cc1-c1nn[nH]n1)CCC[C@H]2[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000826517487 608517080 /nfs/dbraw/zinc/51/70/80/608517080.db2.gz DWPYQKADVJGYCB-HXUWFJFHSA-N 2 0 366.513 3.241 20 0 FGADRP c1sc(C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)cc1-c1nn[nH]n1 ZINC000826526686 608531574 /nfs/dbraw/zinc/53/15/74/608531574.db2.gz JDLLJDKGMHKAOQ-UHFFFAOYSA-N 2 0 360.531 3.016 20 0 FGADRP CCC[NH+]1CCC(C[NH2+][C@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2C)CC1 ZINC000779053960 724385344 /nfs/dbraw/zinc/38/53/44/724385344.db2.gz GGHYNIUSRYAGEZ-WMZOPIPTSA-N 2 0 353.551 3.344 20 0 FGADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=S)Nc1ccc(Cl)cc1 ZINC000007526412 695571455 /nfs/dbraw/zinc/57/14/55/695571455.db2.gz VWPKNBRUKBHTMR-UHFFFAOYSA-N 2 0 356.967 3.242 20 0 FGADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=S)Nc1ccccc1Cl ZINC000016184123 695625976 /nfs/dbraw/zinc/62/59/76/695625976.db2.gz ZSNGPNUPTAXTKQ-UHFFFAOYSA-N 2 0 356.967 3.242 20 0 FGADRP CC(C)[NH+]1CCC(NC(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)CC1 ZINC000047883610 695870130 /nfs/dbraw/zinc/87/01/30/695870130.db2.gz WCSZRNBIMOIWQJ-KRWDZBQOSA-N 2 0 364.559 3.057 20 0 FGADRP CC[N@@H+]1CC[C@@H]([NH+](C)CC2CCN(C(=O)OC(C)(C)C)CC2)[C@H](C)C1 ZINC000081096246 700329479 /nfs/dbraw/zinc/32/94/79/700329479.db2.gz GXMYITSHQBCNFQ-SJLPKXTDSA-N 2 0 353.551 3.296 20 0 FGADRP C[C@@H](C[NH2+][C@H]1CCSc2c(Cl)cccc21)CN1CC[NH+](C)CC1 ZINC000121049463 700664727 /nfs/dbraw/zinc/66/47/27/700664727.db2.gz BTYBNNGMRQDEII-YOEHRIQHSA-N 2 0 353.963 3.350 20 0 FGADRP COc1cc([C@H](C)[NH2+]C[C@H](C)N2CC[NH+](C)CC2)ccc1SC(F)F ZINC000127759680 700765987 /nfs/dbraw/zinc/76/59/87/700765987.db2.gz AGUVSARBWLWQFJ-KBPBESRZSA-N 2 0 373.513 3.296 20 0 FGADRP C[N@@H+](CCCc1ccc(C(F)(F)F)cc1)CCCN1CC[NH+](C)CC1 ZINC000129801620 700792148 /nfs/dbraw/zinc/79/21/48/700792148.db2.gz MYHCPSVKSWLRNU-UHFFFAOYSA-N 2 0 357.464 3.207 20 0 FGADRP C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCC[N@H+](CCC[NH+]2CCCCC2)C1 ZINC000161925008 705286196 /nfs/dbraw/zinc/28/61/96/705286196.db2.gz ASUILRBKHAHTAH-MSOLQXFVSA-N 2 0 353.551 3.488 20 0 FGADRP C[C@H]([NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1)c1cccnc1Cl ZINC000163509881 705315469 /nfs/dbraw/zinc/31/54/69/705315469.db2.gz LLXWJABBUDHORQ-AWEZNQCLSA-N 2 0 366.937 3.012 20 0 FGADRP CCC[NH+]1CCN(c2ccc(NC3CC[NH+](C)CC3)cc2Cl)CC1 ZINC000179597132 705706471 /nfs/dbraw/zinc/70/64/71/705706471.db2.gz GAJJVSUVLPKUAB-UHFFFAOYSA-N 2 0 350.938 3.378 20 0 FGADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCC[C@H]2NC(=O)OC(C)(C)C)C1 ZINC000245885014 713613134 /nfs/dbraw/zinc/61/31/34/713613134.db2.gz OKBWXXQWXXOKFG-KZNAEPCWSA-N 2 0 353.551 3.390 20 0 FGADRP CC(C)(C)OC(=O)N1CCC[C@@H](C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)C1 ZINC000246260077 713621052 /nfs/dbraw/zinc/62/10/52/713621052.db2.gz YDWGEHNFNRNJTN-ROUUACIJSA-N 2 0 351.535 3.051 20 0 FGADRP CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000247169188 713636296 /nfs/dbraw/zinc/63/62/96/713636296.db2.gz QYBKHXODXIABOV-SOLBZPMBSA-N 2 0 351.535 3.144 20 0 FGADRP CC(C)[N@@H+]1CC[C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)C1 ZINC000301193091 713781827 /nfs/dbraw/zinc/78/18/27/713781827.db2.gz SNXIUBKCEHKKCM-CSNJMZFVSA-N 2 0 351.535 3.237 20 0 FGADRP Cc1cc(Br)ccc1[C@H](C)[NH2+]CCCC[NH+]1CCN(C)CC1 ZINC000641789269 717930285 /nfs/dbraw/zinc/93/02/85/717930285.db2.gz NIJSLADRVVWRTJ-INIZCTEOSA-N 2 0 368.363 3.436 20 0 FGADRP CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000378880083 713974947 /nfs/dbraw/zinc/97/49/47/713974947.db2.gz FNDONFDFYIPEKH-MHORFTMASA-N 2 0 351.535 3.286 20 0 FGADRP C[C@@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)c1ccc(Br)cc1F ZINC000387560925 713986416 /nfs/dbraw/zinc/98/64/16/713986416.db2.gz GNGDZJZMIUZAIQ-CYBMUJFWSA-N 2 0 372.326 3.265 20 0 FGADRP C[C@@H]1CC[C@](CO)([NH+](C)CCCCC[N@@H+](C)[C@]2(CO)CC[C@H](C)C2)C1 ZINC000495250169 714106106 /nfs/dbraw/zinc/10/61/06/714106106.db2.gz PUZQDXUTXBVJRD-UJOPUZHASA-N 2 0 354.579 3.123 20 0 FGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000522208189 714176496 /nfs/dbraw/zinc/17/64/96/714176496.db2.gz IMPYANARSKQTPW-LJQANCHMSA-N 2 0 363.933 3.295 20 0 FGADRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)C1 ZINC000522603216 714195042 /nfs/dbraw/zinc/19/50/42/714195042.db2.gz PCAXNGVGJIGIRS-IAGOWNOFSA-N 2 0 354.583 3.163 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc2sccc2s1 ZINC000523750372 714251099 /nfs/dbraw/zinc/25/10/99/714251099.db2.gz LTMHQILIQMEENE-CQSZACIVSA-N 2 0 365.568 3.451 20 0 FGADRP C[C@@H](CC[NH+](C)C)NC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000523813210 714253978 /nfs/dbraw/zinc/25/39/78/714253978.db2.gz KYFZYHBVYBEUNQ-MAUKXSAKSA-N 2 0 366.937 3.116 20 0 FGADRP C[C@H](CNC(=O)NCC1([NH+](C)C)CCCCCC1)C[NH+]1CCCCC1 ZINC000615775895 714549183 /nfs/dbraw/zinc/54/91/83/714549183.db2.gz OSGORAVNSGITTE-GOSISDBHSA-N 2 0 352.567 3.062 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N[C@H]1CCC[N@H+](C)C1)c1ccccc1Cl ZINC000618547098 714756163 /nfs/dbraw/zinc/75/61/63/714756163.db2.gz BNYFWZLJYLZQAA-MAUKXSAKSA-N 2 0 366.937 3.116 20 0 FGADRP O=C(CC[C@@H]1CCC[NH2+]C1)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000621641441 715014110 /nfs/dbraw/zinc/01/41/10/715014110.db2.gz KAHWWOWONIVUEV-INIZCTEOSA-N 2 0 363.933 3.200 20 0 FGADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CCNc1ncc(C(F)(F)F)cc1Cl ZINC000643461107 718034732 /nfs/dbraw/zinc/03/47/32/718034732.db2.gz TXBRASQPJONGAZ-ZWNOBZJWSA-N 2 0 350.816 3.143 20 0 FGADRP C[N@@H+]1CC[C@@H]([NH2+]C[C@H](c2ccccc2Cl)N2CCOCC2)CC1(C)C ZINC000623347618 715315853 /nfs/dbraw/zinc/31/58/53/715315853.db2.gz GAWPEOLFFCIQBC-VQIMIIECSA-N 2 0 365.949 3.176 20 0 FGADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H]1CCCC[C@@H]1Sc1ccc(F)cc1 ZINC000623889913 715425607 /nfs/dbraw/zinc/42/56/07/715425607.db2.gz ZLSLBNGWBDFARV-UXPWSPDFSA-N 2 0 365.562 3.455 20 0 FGADRP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CN(c3ccc(Cl)cc3)CCO2)[C@H]2CCC[C@H]21 ZINC000624119909 715476565 /nfs/dbraw/zinc/47/65/65/715476565.db2.gz MDPCWBKNHQTFMF-YSTOQKLRSA-N 2 0 363.933 3.008 20 0 FGADRP C[C@H]1CC[C@H](NC(=O)Nc2ccc(SCC[NH+]3CCCC3)cc2)C[NH2+]1 ZINC000625898926 715810256 /nfs/dbraw/zinc/81/02/56/715810256.db2.gz GBKGHHKVPVIVCB-RDJZCZTQSA-N 2 0 362.543 3.137 20 0 FGADRP C[NH+](C)C[C@H](NC(=O)NC1CCC([NH3+])CC1)c1ccc(Cl)c(Cl)c1 ZINC000627076945 715993370 /nfs/dbraw/zinc/99/33/70/715993370.db2.gz NLLGZFJXXPDFCS-ZUEPYMLJSA-N 2 0 373.328 3.165 20 0 FGADRP CC(C)(C)OC(=O)N1CCC[C@H]1C[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000749110987 722716497 /nfs/dbraw/zinc/71/64/97/722716497.db2.gz AWPCKYJWKNUUML-SFHVURJKSA-N 2 0 351.535 3.383 20 0 FGADRP CC[C@@H](CCc1ccc(Br)cc1)[NH2+]CC1([NH3+])CCOCC1 ZINC000629387817 716281564 /nfs/dbraw/zinc/28/15/64/716281564.db2.gz KPTCEGZWZLPKPW-INIZCTEOSA-N 2 0 355.320 3.258 20 0 FGADRP CC[C@H](CCc1ccc(Br)cc1)[NH2+]CC1([NH3+])CCOCC1 ZINC000629387818 716281486 /nfs/dbraw/zinc/28/14/86/716281486.db2.gz KPTCEGZWZLPKPW-MRXNPFEDSA-N 2 0 355.320 3.258 20 0 FGADRP C[C@@H]([NH2+]CCOCCC[NH3+])c1ccc(Br)cc1C(F)(F)F ZINC000629540491 716304138 /nfs/dbraw/zinc/30/41/38/716304138.db2.gz VBXBYZIZZJZRPU-SNVBAGLBSA-N 2 0 369.225 3.484 20 0 FGADRP COc1ccc([C@H](C[NH3+])C[N@@H+]2CC[C@@H](O)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000629581598 716311818 /nfs/dbraw/zinc/31/18/18/716311818.db2.gz BZHKGVVKFDYAID-NSISKUIASA-N 2 0 360.885 3.199 20 0 FGADRP C[NH+]1CCC(C[NH2+]Cc2ccc(C(F)F)nc2)(N2CCCCC2)CC1 ZINC000631080014 716561013 /nfs/dbraw/zinc/56/10/13/716561013.db2.gz SQIUCAKQHXNKBH-UHFFFAOYSA-N 2 0 352.473 3.059 20 0 FGADRP Fc1cc(Br)cnc1CN1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000631826458 716686526 /nfs/dbraw/zinc/68/65/26/716686526.db2.gz NYOMSHCKWNPACD-CHWSQXEVSA-N 2 0 356.283 3.195 20 0 FGADRP C[NH+](C)[C@H](CNC(=O)N1CCC(C)([NH+]2CCCC2)CC1)c1ccsc1 ZINC000632856435 716829598 /nfs/dbraw/zinc/82/95/98/716829598.db2.gz JCJIZBISQLGEHI-QGZVFWFLSA-N 2 0 364.559 3.011 20 0 FGADRP CC[C@@H]1[C@@H](C(=O)N(C)C[C@@H]2CC[NH+](Cc3ccc(C)s3)C2)CC[N@@H+]1C ZINC000632937720 716845924 /nfs/dbraw/zinc/84/59/24/716845924.db2.gz JZKHTKHHUHGGGI-YTQUADARSA-N 2 0 363.571 3.067 20 0 FGADRP C[N@@H+]1CC[C@H](CC(=O)NCC2CC[NH+](Cc3ccccc3Cl)CC2)C1 ZINC000635533508 717176488 /nfs/dbraw/zinc/17/64/88/717176488.db2.gz RZEHGWKVBQRLDO-QGZVFWFLSA-N 2 0 363.933 3.010 20 0 FGADRP C[C@H]([NH3+])c1ccc(CNC(=O)[C@H]([NH3+])c2ccc(C(F)(F)F)cc2)cc1 ZINC000637859944 717384151 /nfs/dbraw/zinc/38/41/51/717384151.db2.gz IYAPGTSFGMYTMH-MEDUHNTESA-N 2 0 351.372 3.041 20 0 FGADRP CCN1CC[NH+](CCCC[NH2+][C@@H]2C[C@H](OC(C)(C)C)C23CCC3)CC1 ZINC000638360539 717439393 /nfs/dbraw/zinc/43/93/93/717439393.db2.gz UEZLIXQVFSQEDU-MOPGFXCFSA-N 2 0 351.579 3.120 20 0 FGADRP CC1CC[NH+](C2CCC([NH2+]Cc3cccn(C(F)F)c3=O)CC2)CC1 ZINC000638775402 717484127 /nfs/dbraw/zinc/48/41/27/717484127.db2.gz DZDBUPRDLIQQIJ-UHFFFAOYSA-N 2 0 353.457 3.376 20 0 FGADRP C[C@@H]1C[C@@H]([NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)CS1 ZINC000639210943 717532227 /nfs/dbraw/zinc/53/22/27/717532227.db2.gz PQEDONOQAMLYFQ-YZGWKJHDSA-N 2 0 360.567 3.399 20 0 FGADRP CC(C)[N@@H+]1CCCC[C@H]1Cn1cc([C@H](N)c2ccc(Cl)cc2F)nn1 ZINC000641167102 717869618 /nfs/dbraw/zinc/86/96/18/717869618.db2.gz BMMXZLPLTJHWJI-KBXCAEBGSA-N 2 0 365.884 3.382 20 0 FGADRP O[C@@H](C[NH2+]CC1CC[NH+](Cc2ccccc2Cl)CC1)C(F)(F)F ZINC000644548810 718121941 /nfs/dbraw/zinc/12/19/41/718121941.db2.gz FAOKJKXKMYPTFO-HNNXBMFYSA-N 2 0 350.812 3.065 20 0 FGADRP C[NH+](C)[C@H]1CCC[C@H]([NH2+]CCC(=O)Nc2cccc(Br)c2)C1 ZINC000644583763 718128415 /nfs/dbraw/zinc/12/84/15/718128415.db2.gz AOMLZLKFMSFORV-HOCLYGCPSA-N 2 0 368.319 3.240 20 0 FGADRP C[NH+](C)C1CCC([NH2+]C[C@@H](O)COc2cc(Cl)ccc2Cl)CC1 ZINC000644675149 718140963 /nfs/dbraw/zinc/14/09/63/718140963.db2.gz VBLYYAQXDIQZOE-YMAMQOFZSA-N 2 0 361.313 3.196 20 0 FGADRP [NH3+][C@H]1CCCC[C@@H]1CC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000645242826 718196215 /nfs/dbraw/zinc/19/62/15/718196215.db2.gz RNZJYAOJNUVOMN-APWZRJJASA-N 2 0 363.933 3.328 20 0 FGADRP [NH3+][C@@H]1CCCC[C@@H]1CC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000645242829 718196249 /nfs/dbraw/zinc/19/62/49/718196249.db2.gz RNZJYAOJNUVOMN-VQIMIIECSA-N 2 0 363.933 3.328 20 0 FGADRP Oc1cccc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c1Br ZINC000647544565 718366819 /nfs/dbraw/zinc/36/68/19/718366819.db2.gz YCILSTTUMYXVGT-KBPBESRZSA-N 2 0 353.304 3.366 20 0 FGADRP FC(F)(F)c1cnc(OCC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c(Cl)c1 ZINC000647550429 718367209 /nfs/dbraw/zinc/36/72/09/718367209.db2.gz PZAOCXUKJXDVNS-NTZNESFSSA-N 2 0 363.811 3.110 20 0 FGADRP Brc1cncc([C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)C2CC2)c1 ZINC000647797058 718378167 /nfs/dbraw/zinc/37/81/67/718378167.db2.gz WQEVKUCERQKODH-DLTLXFJOSA-N 2 0 350.304 3.273 20 0 FGADRP C[C@@H](Cc1ccccc1Br)[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000647909490 718386329 /nfs/dbraw/zinc/38/63/29/718386329.db2.gz RFUAGENTDSKMEF-AWEZNQCLSA-N 2 0 369.347 3.205 20 0 FGADRP CC[C@]1([NH2+]Cc2ccc(F)c(C[NH2+][C@@]3(CC)CCOC3)c2)CCOC1 ZINC000649482966 718519513 /nfs/dbraw/zinc/51/95/13/718519513.db2.gz XMPMPDWAJOCHLE-PMACEKPBSA-N 2 0 350.478 3.143 20 0 FGADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@H+](Cc3csc(Br)c3)C2)C1 ZINC000650706201 718716745 /nfs/dbraw/zinc/71/67/45/718716745.db2.gz GIQFWVDDIIZFOO-BFHYXJOUSA-N 2 0 359.333 3.229 20 0 FGADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@H+](Cc3ccc(Br)s3)C2)C1 ZINC000650706375 718716964 /nfs/dbraw/zinc/71/69/64/718716964.db2.gz JMHHCIPJOLMINJ-YRGRVCCFSA-N 2 0 359.333 3.229 20 0 FGADRP Cc1ccc(C[N@@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)c(Br)c1 ZINC000650708118 718717776 /nfs/dbraw/zinc/71/77/76/718717776.db2.gz TYGVBLVOWZSIQB-BQFCYCMXSA-N 2 0 367.331 3.476 20 0 FGADRP CCCOc1c(Br)cc(C[NH2+]CCC2(C[NH3+])CC2)cc1OC ZINC000650711898 718718730 /nfs/dbraw/zinc/71/87/30/718718730.db2.gz HTYBSUYRAKGBCB-UHFFFAOYSA-N 2 0 371.319 3.465 20 0 FGADRP Cn1c2cc(Cl)ccc2nc1C[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000650723541 718720585 /nfs/dbraw/zinc/72/05/85/718720585.db2.gz PUUMGSRRVQWOQF-LESCRADOSA-N 2 0 362.905 3.088 20 0 FGADRP COc1cc(C[N@@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)ccc1SC ZINC000650723674 718721157 /nfs/dbraw/zinc/72/11/57/718721157.db2.gz RPFFIEOXYNZTKP-BRWVUGGUSA-N 2 0 350.528 3.278 20 0 FGADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@@H+]2Cc2cc(Cl)cc3c2OCC3)C1 ZINC000650723727 718721277 /nfs/dbraw/zinc/72/12/77/718721277.db2.gz SJEHPAMWESFKBN-KZNAEPCWSA-N 2 0 350.890 3.136 20 0 FGADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@H+](CCCOc3cccc(Cl)c3)C2)C1 ZINC000652348157 718934907 /nfs/dbraw/zinc/93/49/07/718934907.db2.gz WCZIDYVORULGJF-SUMDDJOVSA-N 2 0 352.906 3.327 20 0 FGADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@H+](CCOc3ccc(Cl)c(F)c3)C2)C1 ZINC000652350380 718935297 /nfs/dbraw/zinc/93/52/97/718935297.db2.gz WHHYDQMLEGPQNF-PMUMKWKESA-N 2 0 356.869 3.076 20 0 FGADRP CSc1ccc(OCC[N@@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)cc1 ZINC000652362550 718936854 /nfs/dbraw/zinc/93/68/54/718936854.db2.gz JOGASRKTJDCWPR-ATZDWAIDSA-N 2 0 350.528 3.148 20 0 FGADRP C[NH2+][C@H]1CCCN(C(=O)Nc2ccc(SCC[NH+]3CCCC3)cc2)C1 ZINC000652612964 718966015 /nfs/dbraw/zinc/96/60/15/718966015.db2.gz GUTMEDFNJZGTRZ-KRWDZBQOSA-N 2 0 362.543 3.090 20 0 FGADRP CC[C@H]1CCC[N@@H+](C(C)(C)CNC2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000655711818 719328490 /nfs/dbraw/zinc/32/84/90/719328490.db2.gz NFASYTMRWUHJMC-ICSRJNTNSA-N 2 0 351.579 3.120 20 0 FGADRP [NH3+]C1(C[NH2+]C2CCN(Cc3ccccc3Br)CC2)CCCC1 ZINC000656789824 719470902 /nfs/dbraw/zinc/47/09/02/719470902.db2.gz ZXJWYVQWUIOXFV-UHFFFAOYSA-N 2 0 366.347 3.275 20 0 FGADRP Cc1ncsc1-c1ccc(C[NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)cc1 ZINC000657356333 719632210 /nfs/dbraw/zinc/63/22/10/719632210.db2.gz KRULCIGXTSNWMO-LJQANCHMSA-N 2 0 359.539 3.445 20 0 FGADRP C[NH+]1CCN(c2cccc(Cl)c2CNC[C@H]2CC[N@@H+]2C(C)(C)C)CC1 ZINC000657525799 719665688 /nfs/dbraw/zinc/66/56/88/719665688.db2.gz WBLJRICFLMKLEM-MRXNPFEDSA-N 2 0 364.965 3.054 20 0 FGADRP C[C@@H]([NH2+][C@@H](C)CN(C)CCC[NH+](C)C)c1nc(C(F)(F)F)cs1 ZINC000658106191 719757099 /nfs/dbraw/zinc/75/70/99/719757099.db2.gz GKSXQFVNFNERLP-NWDGAFQWSA-N 2 0 352.470 3.085 20 0 FGADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC1(O)CCC(F)(F)CC1 ZINC000658322424 719786141 /nfs/dbraw/zinc/78/61/41/719786141.db2.gz GWUPQIRRKCEHTK-WMZOPIPTSA-N 2 0 352.469 3.427 20 0 FGADRP C[C@H](OC[C@H](O)C[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1)c1ccc(Cl)cc1 ZINC000660657641 720092669 /nfs/dbraw/zinc/09/26/69/720092669.db2.gz ZAKLTRIATHRCHB-DBVUQKKJSA-N 2 0 366.933 3.196 20 0 FGADRP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C[C@H](O)Cc1ccccc1C(F)(F)F)C2 ZINC000660659898 720094781 /nfs/dbraw/zinc/09/47/81/720094781.db2.gz SARWNMQYLJTMSV-SJLPKXTDSA-N 2 0 356.432 3.027 20 0 FGADRP Brc1cccc([C@H]2CCC[N@@H+]2C[C@@H]2CCC3(C[NH2+]C3)O2)c1 ZINC000662252657 720405393 /nfs/dbraw/zinc/40/53/93/720405393.db2.gz QHKSNYUMLKVXDE-JKSUJKDBSA-N 2 0 351.288 3.107 20 0 FGADRP Cc1nc(-c2cc3c(s2)CC[N@H+](C[C@@H]2CCC4(C[NH2+]C4)O2)C3)cs1 ZINC000662280732 720409063 /nfs/dbraw/zinc/40/90/63/720409063.db2.gz PMLLLLPZXVUICM-AWEZNQCLSA-N 2 0 361.536 3.059 20 0 FGADRP CSc1ccccc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662299075 720411971 /nfs/dbraw/zinc/41/19/71/720411971.db2.gz ZKKSTISWXRLTQL-WBVHZDCISA-N 2 0 361.555 3.447 20 0 FGADRP C[C@@H]1CCC[N@H+](CC(=O)Nc2ccccc2OC(F)F)[C@@H]1CCC[NH3+] ZINC000662313112 720414016 /nfs/dbraw/zinc/41/40/16/720414016.db2.gz JKNMRANPWVKVEY-UKRRQHHQSA-N 2 0 355.429 3.066 20 0 FGADRP O=C(C[C@@H]1[NH2+]Cc2ccccc21)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000662347176 720417350 /nfs/dbraw/zinc/41/73/50/720417350.db2.gz CYQNMIAUQGPZKK-ZWKOTPCHSA-N 2 0 355.507 3.236 20 0 FGADRP C[NH+](C)[C@H](CNC(=O)c1ccc2c(c1)[C@H](C[NH3+])CCC2)c1ccsc1 ZINC000662378640 720423344 /nfs/dbraw/zinc/42/33/44/720423344.db2.gz DJSOEKKFECAEAO-QFBILLFUSA-N 2 0 357.523 3.159 20 0 FGADRP CC(C)C[C@H](C[NH3+])CC(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000662474431 720432208 /nfs/dbraw/zinc/43/22/08/720432208.db2.gz WYYBFIOABVTVJM-TXPKVOOTSA-N 2 0 351.560 3.258 20 0 FGADRP [NH3+]C1(CNC(=O)c2ccsc2Cl)CC[NH+](Cc2ccccc2)CC1 ZINC000662815633 720460946 /nfs/dbraw/zinc/46/09/46/720460946.db2.gz KVPZOFNATIBVPU-UHFFFAOYSA-N 2 0 363.914 3.125 20 0 FGADRP C[NH2+]CCCC(=O)N1CCC([NH2+]Cc2csc(Cl)c2Cl)CC1 ZINC000663505541 720520606 /nfs/dbraw/zinc/52/06/06/720520606.db2.gz KGUCELRFIXRQHC-UHFFFAOYSA-N 2 0 364.342 3.135 20 0 FGADRP Cc1ccc(S(=O)(=O)[C@H]2CCCC[C@@H]2[NH2+]CC[C@@H]([NH3+])C(C)C)cc1 ZINC000665282174 720749932 /nfs/dbraw/zinc/74/99/32/720749932.db2.gz SGJNNKBJFIPTLJ-QYZOEREBSA-N 2 0 352.544 3.043 20 0 FGADRP COc1ccc(C[C@H](C)C[N@@H+]2CCO[C@H](CCC[NH+](C)C)C2)cc1F ZINC000668784549 721356205 /nfs/dbraw/zinc/35/62/05/721356205.db2.gz FHHIVDQFNJCQRO-FUHWJXTLSA-N 2 0 352.494 3.056 20 0 FGADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1cc2ccc(F)cc2s1 ZINC000674323588 721687307 /nfs/dbraw/zinc/68/73/07/721687307.db2.gz GJTZTSBUOOVCTG-UHFFFAOYSA-N 2 0 365.518 3.386 20 0 FGADRP C[C@@H]([NH2+]C1CCN(CC(F)F)CC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000675791898 721774651 /nfs/dbraw/zinc/77/46/51/721774651.db2.gz HUDMZNSRHUUXCE-OAHLLOKOSA-N 2 0 355.473 3.007 20 0 FGADRP NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+][C@@H]2CCCCc3ccc(Cl)cc32)C1 ZINC000675821896 721776017 /nfs/dbraw/zinc/77/60/17/721776017.db2.gz OWVVMLYLHHAPKY-VQIMIIECSA-N 2 0 363.933 3.285 20 0 FGADRP C[C@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1sccc1Br ZINC000675876419 721777251 /nfs/dbraw/zinc/77/72/51/721777251.db2.gz WRDXJSAQYHBQAR-QWHCGFSZSA-N 2 0 372.376 3.330 20 0 FGADRP Cc1ccc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)[nH+]c1C ZINC001164962258 722054880 /nfs/dbraw/zinc/05/48/80/722054880.db2.gz BYMQQLQLKLGOEZ-UHFFFAOYSA-N 2 0 366.509 3.212 20 0 FGADRP C[C@@H]([NH2+][C@@H]1CCN(c2cccc(Br)c2)C1)C1CC[NH+](C)CC1 ZINC000683820876 722310658 /nfs/dbraw/zinc/31/06/58/722310658.db2.gz DDSNARDKFGRDKJ-RHSMWYFYSA-N 2 0 366.347 3.348 20 0 FGADRP C[C@H]([NH2+][C@@H]1CCN(c2cccc(Br)c2)C1)C1CC[NH+](C)CC1 ZINC000683820877 722310732 /nfs/dbraw/zinc/31/07/32/722310732.db2.gz DDSNARDKFGRDKJ-WMLDXEAASA-N 2 0 366.347 3.348 20 0 FGADRP C[N@@H+]1CCCN(CCC[NH2+]Cc2cc(Cl)ccc2OCC2CC2)CC1 ZINC000684662255 722351198 /nfs/dbraw/zinc/35/11/98/722351198.db2.gz FKKWASIEHVMEAF-UHFFFAOYSA-N 2 0 365.949 3.246 20 0 FGADRP C[NH+]1CCC(C)(C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)N(C(=O)OC(C)(C)C)C3)CC1 ZINC000707912044 722412425 /nfs/dbraw/zinc/41/24/25/722412425.db2.gz COVCRINOINMWFK-BBWFWOEESA-N 2 0 351.535 3.096 20 0 FGADRP CC(C)[N@H+](C)CC1CC[NH+](C[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000741781556 722549043 /nfs/dbraw/zinc/54/90/43/722549043.db2.gz DTDNZJIZUYMTOF-SFHVURJKSA-N 2 0 353.551 3.296 20 0 FGADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H](O)CO[C@@H](C)c2ccc(Cl)cc2)[C@@H](C)C1 ZINC000749345399 722725284 /nfs/dbraw/zinc/72/52/84/722725284.db2.gz AJJZYRNJYSZGIJ-FVCZOJIISA-N 2 0 368.949 3.441 20 0 FGADRP C[C@@H]1C[N@@H+](CCCC[NH2+]Cc2cnc(-c3ccncc3)s2)C[C@H](C)O1 ZINC000753367951 722895939 /nfs/dbraw/zinc/89/59/39/722895939.db2.gz LAFKZIQXSUUDCK-IYBDPMFKSA-N 2 0 360.527 3.184 20 0 FGADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@]2(C)CCCN(C(=O)OC(C)(C)C)C2)[C@H](C)C1 ZINC000753763037 722911870 /nfs/dbraw/zinc/91/18/70/722911870.db2.gz LTWXBUNBSKFUBL-FUHIMQAGSA-N 2 0 353.551 3.344 20 0 FGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H](C)c2cc(Cl)c(N)c(Cl)c2)CC1 ZINC000760156795 723040301 /nfs/dbraw/zinc/04/03/01/723040301.db2.gz GWMJOLZKXYAWJN-KGLIPLIRSA-N 2 0 373.372 3.500 20 0 FGADRP CC(C)(C)OC(=O)N1CCC(C[NH2+]C2CC[NH+](C3CCC3)CC2)CC1 ZINC000760661286 723077007 /nfs/dbraw/zinc/07/70/07/723077007.db2.gz DRNLDMYAAUNZGK-UHFFFAOYSA-N 2 0 351.535 3.240 20 0 FGADRP Cc1cc(Br)cc(C[NH2+]C2CC[NH+]([C@H]3CCC[C@H]3O)CC2)c1 ZINC000775031815 723954208 /nfs/dbraw/zinc/95/42/08/723954208.db2.gz TZBSPJQPFIRBIU-ZWKOTPCHSA-N 2 0 367.331 3.225 20 0 FGADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@]2(C)CCN(C(=O)OC(C)(C)C)C2)C[C@@H]1C ZINC000798943774 723977383 /nfs/dbraw/zinc/97/73/83/723977383.db2.gz BDNFKYBFGFZKCI-ABSDTBQOSA-N 2 0 353.551 3.438 20 0 FGADRP CC(C)(C)OC(=O)N1CC[C@@](C)(C[NH2+]C2CC[NH+](C3CCC3)CC2)C1 ZINC000798947969 723977918 /nfs/dbraw/zinc/97/79/18/723977918.db2.gz VAMQINWXIYMNPK-FQEVSTJZSA-N 2 0 351.535 3.240 20 0 FGADRP CC(C)(C[NH2+]C[C@]1(C)CCN(C(=O)OC(C)(C)C)C1)C[NH+]1CCCC1 ZINC000798953791 723978723 /nfs/dbraw/zinc/97/87/23/723978723.db2.gz LOVAOXDJXMIVRU-FQEVSTJZSA-N 2 0 353.551 3.345 20 0 FGADRP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCC[C@@H](CCNC(=O)OC(C)(C)C)C1 ZINC000799358611 724017723 /nfs/dbraw/zinc/01/77/23/724017723.db2.gz NKFGAXQAGBDUPA-ROUUACIJSA-N 2 0 353.551 3.488 20 0 FGADRP CCO[C@H]1C[C@@H]([NH2+]C2CCN(C3CC[NH+](C)CC3)CC2)C1(CC)CC ZINC000776159268 724114691 /nfs/dbraw/zinc/11/46/91/724114691.db2.gz IUIQSJAAXACOLG-UXHICEINSA-N 2 0 351.579 3.118 20 0 FGADRP CS[C@H]1CC[C@H]([NH2+]Cc2c(Cl)cccc2N2CC[NH+](C)CC2)C1 ZINC000776700237 724172315 /nfs/dbraw/zinc/17/23/15/724172315.db2.gz LDQWUDLOILHJLA-GJZGRUSLSA-N 2 0 353.963 3.466 20 0 FGADRP C[C@H](C[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1C)C[NH+]1CCCC1 ZINC000788548704 725071999 /nfs/dbraw/zinc/07/19/99/725071999.db2.gz SIOOGOLXDMAFET-KZNAEPCWSA-N 2 0 353.551 3.344 20 0 FGADRP C[NH+](C)CC[C@H]([NH2+]C1CC2(C1)CN(C(=O)OC(C)(C)C)C2)C(C)(C)C ZINC000788602228 725075219 /nfs/dbraw/zinc/07/52/19/725075219.db2.gz ALDJRZGITMHSEQ-INIZCTEOSA-N 2 0 353.551 3.342 20 0 FGADRP C[C@@H]1C[C@H]([NH2+]C[C@H]2CC[C@H](CNC(=O)OC(C)(C)C)CC2)CC[N@@H+]1C ZINC000808726320 725214882 /nfs/dbraw/zinc/21/48/82/725214882.db2.gz YEENGUVCRISIQS-BRSBDYLESA-N 2 0 353.551 3.390 20 0 FGADRP C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)[C@@H]1[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000809717361 725262196 /nfs/dbraw/zinc/26/21/96/725262196.db2.gz GPIVIHPJELJDSK-DUQPFJRNSA-N 2 0 351.535 3.237 20 0 FGADRP C[N@H+](CCCN1CC[NH+](C)CC1)Cc1ccc(SC(F)(F)F)cc1 ZINC000809743465 725264409 /nfs/dbraw/zinc/26/44/09/725264409.db2.gz SAEQNNFZOLBSMW-UHFFFAOYSA-N 2 0 361.477 3.368 20 0 FGADRP C[NH+](C)C[C@H](NC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1)c1ccc(Cl)cc1 ZINC000811505150 725370358 /nfs/dbraw/zinc/37/03/58/725370358.db2.gz GVLJOQLCTKBMLR-QFBILLFUSA-N 2 0 369.912 3.271 20 0 FGADRP C[C@H]([NH2+]C1CC[NH+](C2CCCC2)CC1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000816556544 727175191 /nfs/dbraw/zinc/17/51/91/727175191.db2.gz MGFCCHYDOJQLIL-HNNXBMFYSA-N 2 0 351.535 3.238 20 0 FGADRP C[C@@H]1C[C@H](C)N(CC(=O)Nc2ccc(SC(F)F)cc2)C[C@@H]1C[NH3+] ZINC000817880202 727286943 /nfs/dbraw/zinc/28/69/43/727286943.db2.gz MCOBPYMQROZJEL-AGIUHOORSA-N 2 0 357.470 3.245 20 0 FGADRP [NH3+][C@@H]1C[C@H]([NH2+]C[C@H](O)c2ccc(OC(F)(F)F)cc2)c2ccccc21 ZINC000817901093 727287520 /nfs/dbraw/zinc/28/75/20/727287520.db2.gz SHHZVPYJJDQVDK-IKGGRYGDSA-N 2 0 352.356 3.353 20 0 FGADRP CCOC(=O)C1([C@@H](C)[NH2+][C@H](C)Cc2ccccc2Cl)CC[NH2+]CC1 ZINC000817908013 727287831 /nfs/dbraw/zinc/28/78/31/727287831.db2.gz LFQCYSNCWPGUHQ-HUUCEWRRSA-N 2 0 352.906 3.182 20 0 FGADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C[C@@H](O)c1ccccc1Br ZINC000817935902 727288738 /nfs/dbraw/zinc/28/87/38/727288738.db2.gz OVOOMLIPIAAEKE-JKIFEVAISA-N 2 0 355.320 3.383 20 0 FGADRP C[C@@H](C[NH2+]C[C@H](O)c1ccccc1Br)C[NH+]1CCCCC1 ZINC000818968958 727331901 /nfs/dbraw/zinc/33/19/01/727331901.db2.gz HOJGCOQTHVQICZ-YOEHRIQHSA-N 2 0 355.320 3.194 20 0 FGADRP C[C@@H](C[NH2+]C[C@@H](O)c1cccc(Br)c1)C[NH+]1CCCCC1 ZINC000818970207 727332306 /nfs/dbraw/zinc/33/23/06/727332306.db2.gz VDOVBEZFTOLKCW-WMLDXEAASA-N 2 0 355.320 3.194 20 0 FGADRP CCC[NH+]1CCC(C[NH2+]C[C@H](O)c2ccc(F)c(Br)c2)CC1 ZINC000818990822 727335413 /nfs/dbraw/zinc/33/54/13/727335413.db2.gz PNGVHCGYPAQBOT-KRWDZBQOSA-N 2 0 373.310 3.333 20 0 FGADRP C[NH+](C)CCOc1ccc(C[NH2+]C[C@H](O)c2ccc(F)cc2Cl)cc1 ZINC000819011483 727337718 /nfs/dbraw/zinc/33/77/18/727337718.db2.gz QWMWPQLVKKRIEL-IBGZPJMESA-N 2 0 366.864 3.243 20 0 FGADRP CC[NH+]1CCC(CC[NH2+]C[C@@H](O)c2ccc(OC(F)(F)F)cc2)CC1 ZINC000819106842 727348370 /nfs/dbraw/zinc/34/83/70/727348370.db2.gz QWWXIXQBPBECBE-QGZVFWFLSA-N 2 0 360.420 3.330 20 0 FGADRP O[C@H](C[NH2+]C1CC[NH+](C2CCCC2)CC1)c1ccc(Br)cc1 ZINC000819134755 727351021 /nfs/dbraw/zinc/35/10/21/727351021.db2.gz MQJADMCEHQPJCO-GOSISDBHSA-N 2 0 367.331 3.479 20 0 FGADRP CC(C)C[N@@H+]1CC[C@H](C[NH2+]C[C@@H](O)c2ccc(OC(F)(F)F)cc2)C1 ZINC000819152226 727353033 /nfs/dbraw/zinc/35/30/33/727353033.db2.gz OQCLVJVHFCBVFW-RHSMWYFYSA-N 2 0 360.420 3.186 20 0 FGADRP O[C@H](C[NH2+]CC1CCN(c2cc[nH+]cc2)CC1)c1ccc(Cl)c(F)c1 ZINC000819206501 727358368 /nfs/dbraw/zinc/35/83/68/727358368.db2.gz VUEZGTPFWJRWBS-LJQANCHMSA-N 2 0 363.864 3.414 20 0 FGADRP C[C@@](O)(C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1)C(F)(F)F ZINC000819326628 727367487 /nfs/dbraw/zinc/36/74/87/727367487.db2.gz STQPGXPDHUHKOU-HQSKLWIPSA-N 2 0 356.432 3.475 20 0 FGADRP CC(C)[N@@H+]1CC[C@H](C[NH2+]C[C@H]2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)C1 ZINC000824384192 729334964 /nfs/dbraw/zinc/33/49/64/729334964.db2.gz ZGKSZFDHZOXSDX-FGTMMUONSA-N 2 0 353.551 3.342 20 0 FGADRP CCC[NH+]1CCC([NH2+]C[C@](C)(O)c2ccc(Br)cc2F)CC1 ZINC000834353106 729795722 /nfs/dbraw/zinc/79/57/22/729795722.db2.gz CCSAYEVNRNFXDW-KRWDZBQOSA-N 2 0 373.310 3.260 20 0 FGADRP CC[C@H]([NH2+]CC1(C)CC[NH+](C)CC1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000834756138 729831608 /nfs/dbraw/zinc/83/16/08/729831608.db2.gz KPYHYPNLMGAAPG-DLBZAZTESA-N 2 0 353.551 3.486 20 0 FGADRP COC(=O)c1cnc([C@H](C)[NH2+]C2CCC([NH+]3CCCCC3)CC2)s1 ZINC000840723357 730166231 /nfs/dbraw/zinc/16/62/31/730166231.db2.gz AGJHKSQACKFACQ-NFOMZHRRSA-N 2 0 351.516 3.377 20 0 FGADRP Cc1ccc(-n2c(Cl)c(C[NH2+][C@H]3CC[C@H](C[NH3+])C3)nc2N(C)C)cc1 ZINC000841084929 730208928 /nfs/dbraw/zinc/20/89/28/730208928.db2.gz QIRRWCBIMXJITQ-GJZGRUSLSA-N 2 0 361.921 3.117 20 0 FGADRP CN(C(=O)NCC1([NH+]2CCCCC2)CCCCC1)C1CCC([NH3+])CC1 ZINC000841623493 730260722 /nfs/dbraw/zinc/26/07/22/730260722.db2.gz LORAKRGNLZHZFH-UHFFFAOYSA-N 2 0 350.551 3.087 20 0 FGADRP [NH3+]C[C@@H]1C[N@H+](Cc2ccc(SC(F)(F)F)cc2)CC12CCOCC2 ZINC000843124433 730588545 /nfs/dbraw/zinc/58/85/45/730588545.db2.gz AUHVCQRYQLTAOX-CQSZACIVSA-N 2 0 360.445 3.486 20 0 FGADRP CC(C)n1ncc2cc(C[N@@H+]3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)c(Cl)nc21 ZINC000843125727 730588764 /nfs/dbraw/zinc/58/87/64/730588764.db2.gz GIHVWAFHIOGIBK-LSDHHAIUSA-N 2 0 361.921 3.487 20 0 FGADRP [NH3+]C1C[C@H]2CCC[C@@H](C1)N2CCC(=O)Nc1ccccc1Br ZINC000843360509 730610391 /nfs/dbraw/zinc/61/03/91/730610391.db2.gz AXLFLFBQBIOBQL-AGUYFDCRSA-N 2 0 366.303 3.122 20 0 FGADRP O=C(C[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)Nc1ccc(SC(F)F)cc1 ZINC000843388742 730612456 /nfs/dbraw/zinc/61/24/56/730612456.db2.gz WYPFNLXNCOIRFL-ZIAGYGMSSA-N 2 0 369.481 3.261 20 0 FGADRP C[C@H]1C[C@@H]([NH2+]C2CC[NH+](C3CCC3)CC2)CN(C(=O)OC(C)(C)C)C1 ZINC000843398568 730614376 /nfs/dbraw/zinc/61/43/76/730614376.db2.gz PWSDJCIIINRGCK-DOTOQJQBSA-N 2 0 351.535 3.238 20 0 FGADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2nc3ccc(Br)cc3s2)C1 ZINC000848563685 731182249 /nfs/dbraw/zinc/18/22/49/731182249.db2.gz WHINABAPFHYTNX-KLPPZKSPSA-N 2 0 354.317 3.489 20 0 FGADRP C[C@H](CNC(=[NH2+])NCc1cccc(C(F)(F)F)c1)[NH+]1CCC(C)CC1 ZINC000849090910 731228077 /nfs/dbraw/zinc/22/80/77/731228077.db2.gz QPLBLXYPMONFNU-CQSZACIVSA-N 2 0 356.436 3.440 20 0 FGADRP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+][C@@H]3CCC[C@@H](C(F)(F)F)C3)cc2)C1 ZINC000850357641 731347969 /nfs/dbraw/zinc/34/79/69/731347969.db2.gz QJBAGPAXARHCPZ-KZNAEPCWSA-N 2 0 356.432 3.464 20 0 FGADRP C[C@H](CC(=O)Nc1cccnc1Cl)[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000850583257 731376264 /nfs/dbraw/zinc/37/62/64/731376264.db2.gz KIOFPACHQRWFJQ-CQSZACIVSA-N 2 0 364.921 3.164 20 0 FGADRP C[C@]12CC[N@H+](CCCCCC[NH3+])C[C@H]1C2(Br)Br ZINC000852755098 731630797 /nfs/dbraw/zinc/63/07/97/731630797.db2.gz XTCSMXHHALDJRV-NEPJUHHUSA-N 2 0 368.157 3.333 20 0 FGADRP CCOC(=O)C(F)(F)[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)C1 ZINC000853239150 731686122 /nfs/dbraw/zinc/68/61/22/731686122.db2.gz BHDBEGVTDJWYPK-GVDBMIGSSA-N 2 0 358.473 3.065 20 0 FGADRP CC[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3sccc3OC)C2)ccn1 ZINC000856553988 732038363 /nfs/dbraw/zinc/03/83/63/732038363.db2.gz ZIFIDJAUPNFDJG-QGZVFWFLSA-N 2 0 361.511 3.257 20 0 FGADRP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+][C@H]3CCc4ccc(Cl)nc43)cc2)C1 ZINC000857913690 732168840 /nfs/dbraw/zinc/16/88/40/732168840.db2.gz DUNVGMFLBXCRAK-MSOLQXFVSA-N 2 0 357.885 3.079 20 0 FGADRP C[C@H]([NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C12CCC2)C1CC[NH+](C)CC1 ZINC000858474588 732218690 /nfs/dbraw/zinc/21/86/90/732218690.db2.gz BQHRERRSPWXOAC-DOTOQJQBSA-N 2 0 351.535 3.238 20 0 FGADRP CC(C)(C)OC(=O)N1CC(CC[NH+]2CCC(C[NH+]3CCCC3)CC2)C1 ZINC000859075842 732275005 /nfs/dbraw/zinc/27/50/05/732275005.db2.gz AXTJXSMVMIAMHB-UHFFFAOYSA-N 2 0 351.535 3.051 20 0 FGADRP CC(C)[N@H+](C)CC1CC[NH+](CCC2CN(C(=O)OC(C)(C)C)C2)CC1 ZINC000859118701 732279917 /nfs/dbraw/zinc/27/99/17/732279917.db2.gz QPPNCBBTLVAUPP-UHFFFAOYSA-N 2 0 353.551 3.296 20 0 FGADRP CC(C)[NH+]1CCC([NH2+]C[C@@H](CC(F)(F)F)NC(=O)OC(C)(C)C)CC1 ZINC000865404693 733192406 /nfs/dbraw/zinc/19/24/06/733192406.db2.gz RRRGPTSOUOPTRW-CQSZACIVSA-N 2 0 367.456 3.295 20 0 FGADRP CCC[NH+]1CCC([NH2+]C[C@@H](CC(F)(F)F)NC(=O)OC(C)(C)C)CC1 ZINC000865404628 733192557 /nfs/dbraw/zinc/19/25/57/733192557.db2.gz OKTOGRVZHRIRFU-CQSZACIVSA-N 2 0 367.456 3.296 20 0 FGADRP CC(C)(C)OC(=O)N[C@@H](C[NH2+]C1CC[NH+](C(C)(C)C)CC1)CC(F)F ZINC000865419705 733196129 /nfs/dbraw/zinc/19/61/29/733196129.db2.gz YBICJYNVTBWHKI-CQSZACIVSA-N 2 0 363.493 3.387 20 0 FGADRP Cc1ccnc(C[NH2+]CCCC[NH+]2C[C@H](C)O[C@@H](C)C2)c1Br ZINC000865471851 733207800 /nfs/dbraw/zinc/20/78/00/733207800.db2.gz SMYSFXCPBPNGDX-GJZGRUSLSA-N 2 0 370.335 3.132 20 0 FGADRP CSC1(C[NH2+]Cc2nccc(C)c2Br)CC[NH+](C)CC1 ZINC000865573496 733229600 /nfs/dbraw/zinc/22/96/00/733229600.db2.gz INEBJLSUHQIDDJ-UHFFFAOYSA-N 2 0 358.349 3.070 20 0 FGADRP CC[NH+]1CCN(CCC[NH2+][C@@H](C)c2cc3c(ccnc3Cl)o2)CC1 ZINC000866231149 733327093 /nfs/dbraw/zinc/32/70/93/733327093.db2.gz QAROCEPYJURXDP-AWEZNQCLSA-N 2 0 350.894 3.159 20 0 FGADRP CC[C@H](C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)C1CCC(C)CC1 ZINC000870019982 733801949 /nfs/dbraw/zinc/80/19/49/733801949.db2.gz XXBYHJVKVMDTOU-WKXIVMOISA-N 2 0 351.579 3.037 20 0 FGADRP Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)CCC12CC(C1)C[NH2+]2 ZINC000870876492 733898286 /nfs/dbraw/zinc/89/82/86/733898286.db2.gz FCZOBJSFGFRDDG-UHFFFAOYSA-N 2 0 359.539 3.015 20 0 FGADRP C[NH+]1CCC(C[NH2+][C@@H]2CCO[C@H](C(C)(C)C)C2)(N2CCCCC2)CC1 ZINC000872037921 735580080 /nfs/dbraw/zinc/58/00/80/735580080.db2.gz HBNPZXSPPDLKGO-MOPGFXCFSA-N 2 0 351.579 3.120 20 0 FGADRP C[N@H+]1CC=C(C[NH2+][C@H](c2cccc(Br)c2)[C@@H]2CCOC2)CC1 ZINC000872053793 735582297 /nfs/dbraw/zinc/58/22/97/735582297.db2.gz NDPUMUCOUXOKMM-SJLPKXTDSA-N 2 0 365.315 3.378 20 0 FGADRP C[N@@H+]1CC[C@H]([NH2+][C@H]2C[C@H]3C[C@@H](C2)N(C(=O)OC(C)(C)C)C3)CC1(C)C ZINC000872128898 735593441 /nfs/dbraw/zinc/59/34/41/735593441.db2.gz NIOJONYLTAOMGQ-QAETUUGQSA-N 2 0 351.535 3.237 20 0 FGADRP C[C@@H]([NH2+]Cc1cc2c(s1)CC[NH2+]C2)c1cccc(N2CCCC2=O)c1 ZINC000873211949 735738748 /nfs/dbraw/zinc/73/87/48/735738748.db2.gz UKVGMXRCCBOEIU-CQSZACIVSA-N 2 0 355.507 3.371 20 0 FGADRP OC[C@@H]([NH2+]Cc1cc2c(s1)CC[NH2+]C2)c1cccc(C(F)(F)F)c1 ZINC000873216975 735739194 /nfs/dbraw/zinc/73/91/94/735739194.db2.gz ZLXCYVYVVSUESQ-OAHLLOKOSA-N 2 0 356.413 3.236 20 0 FGADRP FC(F)(F)C(F)(F)OCC[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000873283608 735746736 /nfs/dbraw/zinc/74/67/36/735746736.db2.gz XSFOTWYZLMLAMP-JSGCOSHPSA-N 2 0 366.330 3.004 20 0 FGADRP Clc1cccc2c1OCCC[C@@H]2[NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873291901 735747096 /nfs/dbraw/zinc/74/70/96/735747096.db2.gz NPHJYFCURSOZLE-PBHICJAKSA-N 2 0 350.890 3.302 20 0 FGADRP Clc1ccc(Br)c(C[NH2+]CC2CC[NH+](C3CC3)CC2)n1 ZINC000877481750 736225919 /nfs/dbraw/zinc/22/59/19/736225919.db2.gz RIPLXGTUFWWPIU-UHFFFAOYSA-N 2 0 358.711 3.462 20 0 FGADRP C[NH+]1CCC2(CC1)CC[NH+](CCC1CN(C(=O)OC(C)(C)C)C1)CC2 ZINC000877684780 736704113 /nfs/dbraw/zinc/70/41/13/736704113.db2.gz XMBJTPYJSOFZPT-UHFFFAOYSA-N 2 0 351.535 3.051 20 0 FGADRP C[NH+](C)C1(C)CCC([NH2+]C[C@]23C[C@H]2CN(C(=O)OC(C)(C)C)C3)CC1 ZINC000877711282 736709354 /nfs/dbraw/zinc/70/93/54/736709354.db2.gz BXQKBCGLYRUVMW-MUAOVLSHSA-N 2 0 351.535 3.096 20 0 FGADRP C[N@@H+]1CC[C@@H]2C[NH+](C[C@@H]3CCCCN(C(=O)OC(C)(C)C)C3)CC[C@H]21 ZINC000877740289 736712203 /nfs/dbraw/zinc/71/22/03/736712203.db2.gz JXAQZTAHEVKAHM-RCCFBDPRSA-N 2 0 351.535 3.050 20 0 FGADRP CC(C)[NH+]1CCC(N2CC[NH+](C[C@@H]3CC(C)(C)OC3(C)C)CC2)CC1 ZINC000878274508 736798179 /nfs/dbraw/zinc/79/81/79/736798179.db2.gz PLBPOEAEKFATLR-SFHVURJKSA-N 2 0 351.579 3.071 20 0 FGADRP CCC1([NH+](C)C)CCN(C[C@H](O)c2ccc(Br)cc2)CC1 ZINC000879286245 736976886 /nfs/dbraw/zinc/97/68/86/736976886.db2.gz OMSIUVFTESVHOQ-INIZCTEOSA-N 2 0 355.320 3.289 20 0 FGADRP C[C@@H]1C[C@]2(CC[C@H](C[NH2+]C3CC[NH+]([C@H]4CCCC[C@@H]4C)CC3)O2)CO1 ZINC000886762165 739293860 /nfs/dbraw/zinc/29/38/60/739293860.db2.gz SHNADOJJMIFGDR-LSNMZSPYSA-N 2 0 350.547 3.346 20 0 FGADRP CCC1([NH+]2CCC2)CCN(C(=O)NC[C@@H](c2cccs2)[NH+](C)C)CC1 ZINC000887343181 739359072 /nfs/dbraw/zinc/35/90/72/739359072.db2.gz DKYYSIKIJISVLK-INIZCTEOSA-N 2 0 364.559 3.011 20 0 FGADRP CC(C)(C)OC(=O)N[C@H]1C[C@@H](C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)C1 ZINC000892085612 739962823 /nfs/dbraw/zinc/96/28/23/739962823.db2.gz HHKIALFCWVXYBU-FGTMMUONSA-N 2 0 351.535 3.240 20 0 FGADRP CC[NH+](CC)Cc1ccc(C[NH2+][C@H]2CCC3(C[C@H]2F)OCCO3)cc1 ZINC000892460292 740002742 /nfs/dbraw/zinc/00/27/42/740002742.db2.gz MPOGLIITEGADSG-MOPGFXCFSA-N 2 0 350.478 3.252 20 0 FGADRP CC(C)[C@H](C[NH2+]C1CC(c2ccc(F)cc2F)C1)N1CC[NH+](C)CC1 ZINC000892534895 740013526 /nfs/dbraw/zinc/01/35/26/740013526.db2.gz AAGUHMUKXDQTFZ-LAGYLCCXSA-N 2 0 351.485 3.072 20 0 FGADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@@H](C)C[NH+]2CCCC2)C[C@@H]1C(F)(F)F ZINC000892622446 740024088 /nfs/dbraw/zinc/02/40/88/740024088.db2.gz PZZRVGGRVDMLST-QXSJWSMHSA-N 2 0 364.452 3.218 20 0 FGADRP OC[C@H]1CCC[N@@H+]1CCCC[NH2+]Cc1cc2ccnc(Cl)c2s1 ZINC000894260409 742259385 /nfs/dbraw/zinc/25/93/85/742259385.db2.gz MGYSXQOTGOQEAU-CQSZACIVSA-N 2 0 353.919 3.276 20 0 FGADRP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)[C@H]1CCC2(C[C@@H]1F)OCCO2 ZINC000894456170 742285752 /nfs/dbraw/zinc/28/57/52/742285752.db2.gz MLNPMZGTULGUAL-OALUTQOASA-N 2 0 350.478 3.204 20 0 FGADRP C[N@@H+]1CC[C@@H]2C[NH+](C[C@]3(C)CCCN(C(=O)OC(C)(C)C)C3)CC[C@@H]21 ZINC000895845269 742461828 /nfs/dbraw/zinc/46/18/28/742461828.db2.gz URYLMNHTCJDUNH-UWVAXJGDSA-N 2 0 351.535 3.050 20 0 FGADRP CC(C)CC[NH+]1CCC([NH2+][C@H]2CCc3ncc(Br)n3C2)CC1 ZINC000898718004 742824594 /nfs/dbraw/zinc/82/45/94/742824594.db2.gz ZHHUEWDAKXXMMV-HNNXBMFYSA-N 2 0 369.351 3.061 20 0 FGADRP C[C@H](C[NH2+][C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1)c1ccc(Br)cc1 ZINC000902428569 743742555 /nfs/dbraw/zinc/74/25/55/743742555.db2.gz FSIGKJXTSYOSAF-BVPBIZIASA-N 2 0 367.331 3.299 20 0 FGADRP CSc1ccc(Br)cc1CC[NH2+][C@@H]1CCOC[C@@H]1[C@H](C)[NH3+] ZINC000902428957 743742565 /nfs/dbraw/zinc/74/25/65/743742565.db2.gz IPSOWEPRPUIENN-NILFDRSVSA-N 2 0 373.360 3.055 20 0 FGADRP CC(C)[C@H](C[NH2+][C@@H](C)c1ccc(C(F)(F)F)cn1)N1CC[NH+](C)CC1 ZINC000902739159 743772322 /nfs/dbraw/zinc/77/23/22/743772322.db2.gz IUWBVKFNGFRRJA-YOEHRIQHSA-N 2 0 358.452 3.023 20 0 FGADRP COc1ccc2c(c1Cl)[C@H]([NH2+][C@H](C)CCN1CC[NH+](C)CC1)CCC2 ZINC000903151436 743813274 /nfs/dbraw/zinc/81/32/74/743813274.db2.gz DXNYFJFWJMDBIP-NVXWUHKLSA-N 2 0 365.949 3.342 20 0 FGADRP COc1cc(C[N@H+](C)C[C@@H]2CC3(CO2)CC[NH2+]CC3)ccc1SC ZINC000903726203 743879508 /nfs/dbraw/zinc/87/95/08/743879508.db2.gz KPSZBMOJHQWYEQ-INIZCTEOSA-N 2 0 350.528 3.008 20 0 FGADRP c1ccc2sc([C@@H]3CCC[N@@H+](C[C@@H]4C[C@]5(CC[NH2+]C5)CO4)C3)nc2c1 ZINC000903732989 743879959 /nfs/dbraw/zinc/87/99/59/743879959.db2.gz ITOOILFZGOODFU-GUXCAODWSA-N 2 0 357.523 3.244 20 0 FGADRP C[NH+](C)C1(C)CCN(C(=O)[C@H]2CCCN2Cc2ccc(Cl)cc2)CC1 ZINC000913388047 757507058 /nfs/dbraw/zinc/50/70/58/757507058.db2.gz SZQQUNAWAFZPHL-GOSISDBHSA-N 2 0 363.933 3.247 20 0 FGADRP C[C@H]1C[C@H](C)C[NH+](CCCC[NH2+]Cc2csc(-c3ccn(C)n3)n2)C1 ZINC000921541343 758739105 /nfs/dbraw/zinc/73/91/05/758739105.db2.gz LBTOXINQKAXQKM-HOTGVXAUSA-N 2 0 361.559 3.391 20 0 FGADRP CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1ncc(C(C)(C)C)s1)C2 ZINC000922391101 758911694 /nfs/dbraw/zinc/91/16/94/758911694.db2.gz RZQKONQSBZDYRO-XNWVLMOPSA-N 2 0 351.560 3.010 20 0 FGADRP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000923329728 759101751 /nfs/dbraw/zinc/10/17/51/759101751.db2.gz NUBVSOHOODQWSP-WTUNAVPPSA-N 2 0 359.297 3.077 20 0 FGADRP Clc1cccc(-c2csc(CN3CC[NH2+]CC[NH2+]CC3)n2)c1Cl ZINC000923461174 759121852 /nfs/dbraw/zinc/12/18/52/759121852.db2.gz SZXLGMKHGRVFJN-UHFFFAOYSA-N 2 0 371.337 3.112 20 0 FGADRP Brc1cnc2c(c1)[C@@H]([NH2+]C[C@@H]1CC[N@@H+](C3CC3)C1)CCC2 ZINC000924648114 759368124 /nfs/dbraw/zinc/36/81/24/759368124.db2.gz KPZJPHXFVSFRJE-LRDDRELGSA-N 2 0 350.304 3.295 20 0 FGADRP C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1[NH2+][C@@H]1CCN(c3ccccc3Br)C1)[NH2+]2 ZINC000925479970 759495507 /nfs/dbraw/zinc/49/55/07/759495507.db2.gz TVIOIFOAVAGBEW-QZCUMHFISA-N 2 0 364.331 3.146 20 0 FGADRP C[N@@H+]1CC[C@H](CN[C@H]2CC[NH2+]C23CCC3)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000925628676 759514731 /nfs/dbraw/zinc/51/47/31/759514731.db2.gz GUDOMRKDMVYNSB-JLSDUUJJSA-N 2 0 351.897 3.346 20 0 FGADRP C(C[C@H]1CCC2(CCOCC2)CO1)[NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925774401 759534444 /nfs/dbraw/zinc/53/44/44/759534444.db2.gz VEBQZFURCAYWFI-HSALFYBXSA-N 2 0 350.547 3.110 20 0 FGADRP Cc1nc2c(s1)[C@@H]([NH2+]Cc1ccc(CN3CC[NH2+]CC3)cc1)CCC2 ZINC000925809289 759547797 /nfs/dbraw/zinc/54/77/97/759547797.db2.gz PKOAUPLBJZICOS-SFHVURJKSA-N 2 0 356.539 3.024 20 0 FGADRP [NH3+]C1CCN(CC[NH2+][C@@H]2CCCc3cc(SC(F)F)ccc32)CC1 ZINC000925814891 759549266 /nfs/dbraw/zinc/54/92/66/759549266.db2.gz MSDDUYRTEUXEGB-QGZVFWFLSA-N 2 0 355.498 3.391 20 0 FGADRP [NH3+]C1CCN(CC[NH2+][C@@H]2CCCc3nc(-c4ccccc4)sc32)CC1 ZINC000925811765 759549621 /nfs/dbraw/zinc/54/96/21/759549621.db2.gz RQQWYBFRWORQJI-QGZVFWFLSA-N 2 0 356.539 3.200 20 0 FGADRP [NH3+][C@@H]1CC[C@H](C[NH2+][C@H](c2ccc(Br)cc2)c2cncnc2)C1 ZINC000925881412 759565998 /nfs/dbraw/zinc/56/59/98/759565998.db2.gz AILCQTAYCYCERM-JCURWCKSSA-N 2 0 361.287 3.046 20 0 FGADRP FC(F)(F)C1CC[NH+](C2CC(N[C@H]3CCC[N@@H+]4CCCC[C@H]34)C2)CC1 ZINC000926332406 759718827 /nfs/dbraw/zinc/71/88/27/759718827.db2.gz XONOPNWTIMKCET-ZGUYJTEBSA-N 2 0 359.480 3.398 20 0 FGADRP CC1([NH+]2CCCC2)CCC([NH2+]CCc2ccccc2S(C)(=O)=O)CC1 ZINC000926906908 759841542 /nfs/dbraw/zinc/84/15/42/759841542.db2.gz ZWDWWGVDWWDQJM-UHFFFAOYSA-N 2 0 364.555 3.019 20 0 FGADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+]CC(C)(C)CS(C)(=O)=O)CC1 ZINC000926954507 759857695 /nfs/dbraw/zinc/85/76/95/759857695.db2.gz DSZACCDVFZCVMA-UHFFFAOYSA-N 2 0 366.571 3.090 20 0 FGADRP CC[C@@H]1[C@@H](C(=O)NC2CC(C[NH2+]Cc3ccc(Cl)cc3)C2)CC[N@@H+]1C ZINC000961854253 762753452 /nfs/dbraw/zinc/75/34/52/762753452.db2.gz CAKBBFIFOIUJJT-SOTJZCEJSA-N 2 0 363.933 3.055 20 0 FGADRP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]([NH+](C)Cc3cc(C)sc3C)C2)CC[N@@H+]1C ZINC000971572855 762914976 /nfs/dbraw/zinc/91/49/76/762914976.db2.gz PDUGJRDGUZGOTO-CEXWTWQISA-N 2 0 363.571 3.128 20 0 FGADRP Cc1cc(C[NH+]2C[C@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C(C)(C)C2)c(C)s1 ZINC000974587767 763033144 /nfs/dbraw/zinc/03/31/44/763033144.db2.gz MESJJZGTOCTPTE-OLMNPRSZSA-N 2 0 363.571 3.032 20 0 FGADRP C[C@@H]1[C@H](C(=O)N2C[C@@H]([NH2+]Cc3ccc(Cl)cc3)C(C)(C)C2)CC[N@@H+]1C ZINC000995833688 764971555 /nfs/dbraw/zinc/97/15/55/764971555.db2.gz RMJUIMLWGAZTDY-ZTFGCOKTSA-N 2 0 363.933 3.007 20 0 FGADRP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]([NH2+]Cc3cccc(Cl)c3)C2)CC[N@@H+]1C ZINC000999208094 765146975 /nfs/dbraw/zinc/14/69/75/765146975.db2.gz LSITWHGTRQPWKL-CEXWTWQISA-N 2 0 363.933 3.151 20 0 FGADRP C[C@@H]1[C@H](C(=O)NCC2CC[NH+](Cc3ccc(Cl)s3)CC2)CC[N@@H+]1C ZINC001001417434 765285926 /nfs/dbraw/zinc/28/59/26/765285926.db2.gz COZPMYWUWOSOSI-CZUORRHYSA-N 2 0 369.962 3.070 20 0 FGADRP C[C@@H]1[C@H](C(=O)N2CCC[C@H]([NH+](C)Cc3ccccc3Cl)C2)CC[N@@H+]1C ZINC001027416814 766092750 /nfs/dbraw/zinc/09/27/50/766092750.db2.gz MGVVPHMOIXSUNH-BPQIPLTHSA-N 2 0 363.933 3.103 20 0 FGADRP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]([NH+](C)Cc3cccc(Cl)c3)C2)CC[N@@H+]1C ZINC001027416161 766093225 /nfs/dbraw/zinc/09/32/25/766093225.db2.gz AEBHLIWHIXSKJZ-ATZDWAIDSA-N 2 0 363.933 3.103 20 0 FGADRP CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@@H]1CC[N@H+](Cc2cccc(Cl)c2)C1 ZINC001033834386 766223235 /nfs/dbraw/zinc/22/32/35/766223235.db2.gz QDEMLRBLMGNIJD-ATZDWAIDSA-N 2 0 363.933 3.103 20 0 FGADRP C[C@@H]1[C@H](C(=O)N2CCC[C@@H](C3CC[NH+](C/C=C/Cl)CC3)C2)CC[N@@H+]1C ZINC001047243194 766632674 /nfs/dbraw/zinc/63/26/74/766632674.db2.gz XLTMUDFBSUNZER-ZYVNMVKGSA-N 2 0 367.965 3.030 20 0 FGADRP O=C(NC1CC[NH+](C2CCCCC2)CC1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000176500499 257366342 /nfs/dbraw/zinc/36/63/42/257366342.db2.gz XEEICLXCPSJJEE-FQEVSTJZSA-N 2 0 362.562 3.053 20 0 FGADRP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNc3cc[nH+]cc3C(N)=O)cc2)C1 ZINC000302129151 257384770 /nfs/dbraw/zinc/38/47/70/257384770.db2.gz BNSZAKZGSHNDHU-HZPDHXFCSA-N 2 0 352.482 3.271 20 0 FGADRP CC(C)[NH2+]CCCNC(=O)NCc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000576688067 505570840 /nfs/dbraw/zinc/57/08/40/505570840.db2.gz QLGIZTWHXSSDRX-GOSISDBHSA-N 2 0 360.546 3.248 20 0 FGADRP Cc1cc(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)ccn1 ZINC000527713282 503909492 /nfs/dbraw/zinc/90/94/92/503909492.db2.gz RKFYRQUOSQKDBM-JOCHJYFZSA-N 2 0 365.521 3.408 20 0 FGADRP Cc1nccn1-c1ccc([C@H](C)[NH2+]C2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)cc1 ZINC000540160957 503694178 /nfs/dbraw/zinc/69/41/78/503694178.db2.gz KJXVNIOJRIIVQE-SSKFGXFMSA-N 2 0 368.525 3.209 20 0 FGADRP CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]C3CC[NH+]([C@@H]4CCCC[C@H]4C)CC3)[C@@H]2C1 ZINC000573599768 505575763 /nfs/dbraw/zinc/57/57/63/505575763.db2.gz JIIGZWFRFDPUSV-RCUFNAHASA-N 2 0 361.574 3.266 20 0 FGADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccc(-n4ccc(C(F)(F)F)n4)cc3)C[C@H]21 ZINC000573608391 505577526 /nfs/dbraw/zinc/57/75/26/505577526.db2.gz OUDVVAHTTGPXKA-DJIMGWMZSA-N 2 0 364.415 3.450 20 0 FGADRP CCCN(CC[NH+]1CCCC1)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H]1C ZINC000573637235 505583873 /nfs/dbraw/zinc/58/38/73/505583873.db2.gz JWASGZKISBIVAN-FPOVZHCZSA-N 2 0 372.557 3.167 20 0 FGADRP CCCN(CC[NH+]1CCCC1)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C ZINC000573637234 505584385 /nfs/dbraw/zinc/58/43/85/505584385.db2.gz JWASGZKISBIVAN-CTNGQTDRSA-N 2 0 372.557 3.167 20 0 FGADRP CN(C[C@H]1CCC[N@@H+]1C)C(=O)Nc1ccccc1-c1ncc2n1CCCC2 ZINC000570922524 505612312 /nfs/dbraw/zinc/61/23/12/505612312.db2.gz FFUXCRKBLQOZNS-QGZVFWFLSA-N 2 0 367.497 3.444 20 0 FGADRP Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)[C@@H]1[NH2+]CCCC1(C)C ZINC000573805860 505625642 /nfs/dbraw/zinc/62/56/42/505625642.db2.gz SKTMVJCWIIVNAX-SFHVURJKSA-N 2 0 361.555 3.261 20 0 FGADRP CC(C[NH+]1CC[C@@H](c2ccncc2)C1)C[N@@H+]1CC[C@@H](c2ccncc2)C1 ZINC000568176981 505635963 /nfs/dbraw/zinc/63/59/63/505635963.db2.gz JZFMWUKVFAHFHF-FGZHOGPDSA-N 2 0 350.510 3.392 20 0 FGADRP COc1ccc(C[NH+]2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)c(Cl)c1OC ZINC000571027725 505636516 /nfs/dbraw/zinc/63/65/16/505636516.db2.gz HFJZILLXSMASGS-CRAIPNDOSA-N 2 0 368.905 3.076 20 0 FGADRP C[C@@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)c1ccc(I)cc1 ZINC000037648836 494107894 /nfs/dbraw/zinc/10/78/94/494107894.db2.gz DXOQNZZFPJXIBM-CHWSQXEVSA-N 2 0 370.278 3.426 20 0 FGADRP COC1(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)CCCC1 ZINC000571064528 505645295 /nfs/dbraw/zinc/64/52/95/505645295.db2.gz AFGMJBXDAIUWFR-OAQYLSRUSA-N 2 0 372.553 3.464 20 0 FGADRP Cc1c(Br)cccc1C[NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000568247576 505651693 /nfs/dbraw/zinc/65/16/93/505651693.db2.gz QNYPIBOWUTXEAD-DJIMGWMZSA-N 2 0 353.304 3.004 20 0 FGADRP CC1(C)C[NH2+]CC[C@@H]1NCC(=O)N[C@H](c1ccc(F)cc1)C1CCCC1 ZINC000577086707 505661637 /nfs/dbraw/zinc/66/16/37/505661637.db2.gz AVBPKZYFVCNSNR-ICSRJNTNSA-N 2 0 361.505 3.151 20 0 FGADRP Cc1cccc(-c2n[nH]cc2C[NH+]2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)c1 ZINC000571146813 505664546 /nfs/dbraw/zinc/66/45/46/505664546.db2.gz NWAIMKDRKQUVIA-UXHICEINSA-N 2 0 354.498 3.103 20 0 FGADRP C[C@@H]1C[C@H](CC[NH2+]CCC(=O)Nc2cccnc2)C[N@@H+]1Cc1ccccc1 ZINC000571158780 505668193 /nfs/dbraw/zinc/66/81/93/505668193.db2.gz WQIIBSJJSBKQKI-QUCCMNQESA-N 2 0 366.509 3.301 20 0 FGADRP O=C(CC[NH+]1CCC(C[NH+]2CCCC2)CC1)NCc1ccccc1Cl ZINC000047972979 493767920 /nfs/dbraw/zinc/76/79/20/493767920.db2.gz UFJXVAWVBQLELT-UHFFFAOYSA-N 2 0 363.933 3.154 20 0 FGADRP CC[NH+]1CCC(NC(=O)NCc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)CC1 ZINC000047978710 493769583 /nfs/dbraw/zinc/76/95/83/493769583.db2.gz PMPPAUCIAALOOL-GOSISDBHSA-N 2 0 372.557 3.345 20 0 FGADRP CCOC(=O)C1([C@H](C)[NH2+][C@@H](C)c2ccccc2OC(C)C)CC[NH2+]CC1 ZINC000568381580 505680988 /nfs/dbraw/zinc/68/09/88/505680988.db2.gz RANBQLFCHZHKNP-IRXDYDNUSA-N 2 0 362.514 3.446 20 0 FGADRP CC[N@H+](C)[C@@H](C(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C)c1ccccc1 ZINC000057825936 493803977 /nfs/dbraw/zinc/80/39/77/493803977.db2.gz IWSVJCIMYVBIEY-VQTJNVASSA-N 2 0 357.473 3.238 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(C)cc1F ZINC000076331185 493866627 /nfs/dbraw/zinc/86/66/27/493866627.db2.gz IGRYYDOGJFVIII-MRXNPFEDSA-N 2 0 350.482 3.014 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1cc(C)ccc1F ZINC000076331534 493866902 /nfs/dbraw/zinc/86/69/02/493866902.db2.gz RHENUXIKNUIWGV-MRXNPFEDSA-N 2 0 350.482 3.014 20 0 FGADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000081364631 493880576 /nfs/dbraw/zinc/88/05/76/493880576.db2.gz USNXBMKDNIGFOW-FQEVSTJZSA-N 2 0 357.542 3.089 20 0 FGADRP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](CCC(=O)N[C@@H]2CCCc3ccccc32)C1 ZINC000081636260 493935793 /nfs/dbraw/zinc/93/57/93/493935793.db2.gz XYUTXHSTCPKDMJ-SIKLNZKXSA-N 2 0 369.553 3.234 20 0 FGADRP CC1CC[NH+](CCCNC(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000061498750 493980651 /nfs/dbraw/zinc/98/06/51/493980651.db2.gz ICPHLTJFFBNVNG-NRFANRHFSA-N 2 0 372.557 3.072 20 0 FGADRP C[C@@H](CNC(=O)NCCC[N@H+](C)Cc1ccccc1)[NH+]1CCCC[C@@H]1C ZINC000061501584 493980932 /nfs/dbraw/zinc/98/09/32/493980932.db2.gz KAXDTIQUQHITQY-OALUTQOASA-N 2 0 360.546 3.071 20 0 FGADRP CC[N@H+](C)Cc1cccc(CNC(=O)NC[C@@H](c2ccsc2)[NH+](C)C)c1 ZINC000061908303 493999168 /nfs/dbraw/zinc/99/91/68/493999168.db2.gz YIAZWVLFMHIQJE-IBGZPJMESA-N 2 0 374.554 3.302 20 0 FGADRP O[C@H](CCc1ccccc1)C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000568450162 505696665 /nfs/dbraw/zinc/69/66/65/505696665.db2.gz LQAHWBNRYSBRNR-WXFUMESZSA-N 2 0 364.533 3.434 20 0 FGADRP CC(C)[N@@H+](C)C[C@H](C)NC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000580178801 505697218 /nfs/dbraw/zinc/69/72/18/505697218.db2.gz FTCFGYCTFMQLOD-SFHVURJKSA-N 2 0 360.546 3.200 20 0 FGADRP CC(C)[N@H+](CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)C1CCC1 ZINC000077357299 494066391 /nfs/dbraw/zinc/06/63/91/494066391.db2.gz FTFGSVOMXDARPH-UHFFFAOYSA-N 2 0 361.555 3.437 20 0 FGADRP CC(C)[NH+]1CCC(C(=O)N(Cc2ccccc2)C2CC[NH+](C)CC2)CC1 ZINC000084365186 494066502 /nfs/dbraw/zinc/06/65/02/494066502.db2.gz BXIGJTAKLFFHTP-UHFFFAOYSA-N 2 0 357.542 3.230 20 0 FGADRP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCCCC1)C(=O)N1CCC(C)CC1 ZINC000071124075 494090183 /nfs/dbraw/zinc/09/01/83/494090183.db2.gz JHYJYGVNELXMPC-IBGZPJMESA-N 2 0 357.542 3.409 20 0 FGADRP CC[N@H+](C)Cc1cccc(CNC(=O)NCC[NH+](C)Cc2ccccc2)c1 ZINC000064226989 494106936 /nfs/dbraw/zinc/10/69/36/494106936.db2.gz LJVRZCCWMFSWGX-UHFFFAOYSA-N 2 0 368.525 3.070 20 0 FGADRP C[C@@H](NC(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1)C(C)(C)C[NH+](C)C ZINC000085358856 494116549 /nfs/dbraw/zinc/11/65/49/494116549.db2.gz DPZUQMRDMQURSB-MJGOQNOKSA-N 2 0 360.546 3.099 20 0 FGADRP CC[NH+](CC)Cc1ccc(CNC(=O)N(C)[C@@H]2CC[N@H+](C)C[C@@H]2C)cc1 ZINC000085388335 494119591 /nfs/dbraw/zinc/11/95/91/494119591.db2.gz WWEYGNBJGSQPCN-FXAWDEMLSA-N 2 0 360.546 3.010 20 0 FGADRP CCCC[N@H+](C)CC1CCN(C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)CC1 ZINC000085424745 494124581 /nfs/dbraw/zinc/12/45/81/494124581.db2.gz KEQWNOKYGJGHFC-QGZVFWFLSA-N 2 0 354.583 3.116 20 0 FGADRP CC(C)[NH+](CCCNC(=O)N1CCC[C@@H]1C[NH+]1CCCCC1)C(C)C ZINC000072517757 494190949 /nfs/dbraw/zinc/19/09/49/494190949.db2.gz KRWPKJDCYCLNGA-LJQANCHMSA-N 2 0 352.567 3.155 20 0 FGADRP CC(C)[NH+](CCCNC(=O)N1CCC[C@H]1C[NH+]1CCCCC1)C(C)C ZINC000072517759 494191067 /nfs/dbraw/zinc/19/10/67/494191067.db2.gz KRWPKJDCYCLNGA-IBGZPJMESA-N 2 0 352.567 3.155 20 0 FGADRP COc1ccc([C@H](CNC(=O)C[N@H+](C)C2CCCC2)[NH+]2CCCCC2)cc1 ZINC000054117803 494196467 /nfs/dbraw/zinc/19/64/67/494196467.db2.gz FJOAXKIUVSYSMW-NRFANRHFSA-N 2 0 373.541 3.213 20 0 FGADRP CC[NH+](CC)CCSCC(=O)N[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000073034065 494310289 /nfs/dbraw/zinc/31/02/89/494310289.db2.gz FWRYYLVHHPJQKZ-PKOBYXMFSA-N 2 0 363.571 3.013 20 0 FGADRP C[C@H](C[NH2+][C@@H]1CCc2c1cc(Cl)cc2Cl)CN1CC[NH+](C)CC1 ZINC000089701432 494346120 /nfs/dbraw/zinc/34/61/20/494346120.db2.gz JWLMKZLMQFPJGN-FZKQIMNGSA-N 2 0 356.341 3.454 20 0 FGADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)NCCC[NH+]2CCCC2)cc1 ZINC000045121401 494399142 /nfs/dbraw/zinc/39/91/42/494399142.db2.gz FNNDOEUZABPXPH-IBGZPJMESA-N 2 0 372.557 3.346 20 0 FGADRP CC(C)C[C@@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)c1ccccn1 ZINC000090038705 494432470 /nfs/dbraw/zinc/43/24/70/494432470.db2.gz GIPNDLUZJYSYDA-OAQYLSRUSA-N 2 0 368.525 3.250 20 0 FGADRP C[NH+](C)CCCC[NH2+]Cc1cc(Br)c2c(c1)OCCCO2 ZINC000045598263 494443312 /nfs/dbraw/zinc/44/33/12/494443312.db2.gz USIDAYAPPDCZBY-UHFFFAOYSA-N 2 0 357.292 3.042 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C)c1ccco1 ZINC000073898575 494445135 /nfs/dbraw/zinc/44/51/35/494445135.db2.gz AOTUYINVWGVNGO-ROUUACIJSA-N 2 0 364.534 3.178 20 0 FGADRP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](CCCSCc2ccccc2)CC1 ZINC000090529883 494479342 /nfs/dbraw/zinc/47/93/42/494479342.db2.gz YAHLDESBPZGTJQ-OAQYLSRUSA-N 2 0 361.599 3.412 20 0 FGADRP CC[NH+](CC)CCCNC(=O)C1CC[NH+](C[C@H]2C[C@H]2c2ccccc2)CC1 ZINC000568564607 505723312 /nfs/dbraw/zinc/72/33/12/505723312.db2.gz DBBGLPVEBBEBKE-YADHBBJMSA-N 2 0 371.569 3.350 20 0 FGADRP C[C@@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)c1ccc2ccccc2n1 ZINC000090937057 494504891 /nfs/dbraw/zinc/50/48/91/494504891.db2.gz PGCNUMGFQRJBAY-MRXNPFEDSA-N 2 0 350.466 3.421 20 0 FGADRP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]CCc1csc(C(C)(C)C)n1 ZINC000090949048 494505733 /nfs/dbraw/zinc/50/57/33/494505733.db2.gz WCMQLUYIZOMXLH-NJAFHUGGSA-N 2 0 365.587 3.462 20 0 FGADRP CCCC[N@H+](C)CC1CCN(C(=O)NC[C@H](C)C[NH+]2CCCCC2)CC1 ZINC000079688448 494508258 /nfs/dbraw/zinc/50/82/58/494508258.db2.gz AAKSDALZISRVNP-IBGZPJMESA-N 2 0 366.594 3.262 20 0 FGADRP CSC1(C[NH2+]C2CC[NH+]([C@@H]3CCC[C@H](C)C3)CC2)CC[NH+](C)CC1 ZINC000577430118 505724975 /nfs/dbraw/zinc/72/49/75/505724975.db2.gz HUOCANZGANJHIW-PKOBYXMFSA-N 3 0 353.620 3.447 20 0 FGADRP FC(F)(F)COc1ccc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)cc1 ZINC000056494465 494515151 /nfs/dbraw/zinc/51/51/51/494515151.db2.gz IEWHTDUEUZSTDD-UHFFFAOYSA-N 2 0 372.431 3.172 20 0 FGADRP C[NH+](C)CCC1CC[NH+](C[C@H](O)COc2ccc3ccccc3c2)CC1 ZINC000056523135 494519858 /nfs/dbraw/zinc/51/98/58/494519858.db2.gz LLPJPYCJTCCADJ-NRFANRHFSA-N 2 0 356.510 3.243 20 0 FGADRP C[C@@H](C[NH2+][C@H]1CCc2ccc(OC(F)(F)F)cc21)CN1CC[NH+](C)CC1 ZINC000121088191 494588788 /nfs/dbraw/zinc/58/87/88/494588788.db2.gz IPVIHFMUSIEKEA-KSSFIOAISA-N 2 0 371.447 3.046 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000107833825 494608466 /nfs/dbraw/zinc/60/84/66/494608466.db2.gz NJWDBKBTVHVSFV-UXHICEINSA-N 2 0 364.578 3.301 20 0 FGADRP CCC(CC)(CCO)C[NH2+]Cc1c(Cl)cccc1N1CC[NH+](C)CC1 ZINC000092410112 494616965 /nfs/dbraw/zinc/61/69/65/494616965.db2.gz UFKXGRNETXYPMZ-UHFFFAOYSA-N 2 0 367.965 3.370 20 0 FGADRP C[C@H]([NH2+]C(C)(C)CNC(=O)N(C)C[C@H]1CCC[N@H+](C)C1)c1ccccc1 ZINC000115828596 494635232 /nfs/dbraw/zinc/63/52/32/494635232.db2.gz UEVQKDKUFDROMG-ROUUACIJSA-N 2 0 360.546 3.099 20 0 FGADRP COCOc1ccc(OC)cc1CNC[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC000121191407 494638727 /nfs/dbraw/zinc/63/87/27/494638727.db2.gz IONFNTVUSAHWDV-KRWDZBQOSA-N 2 0 350.503 3.136 20 0 FGADRP CC[NH+]1CCN(Cc2ccccc2C[NH2+][C@H](C)c2cccc(CO)c2)CC1 ZINC000121268936 494675997 /nfs/dbraw/zinc/67/59/97/494675997.db2.gz KTPLBNZSPPBVPE-LJQANCHMSA-N 2 0 367.537 3.167 20 0 FGADRP CC[NH+](CC)CCOc1ccccc1NC(=O)[C@@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC000080599028 494742703 /nfs/dbraw/zinc/74/27/03/494742703.db2.gz YXOVITWNZJKLON-QZTJIDSGSA-N 2 0 359.514 3.220 20 0 FGADRP CN(C(=O)C[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1)C1CCCCC1 ZINC000092820947 494763531 /nfs/dbraw/zinc/76/35/31/494763531.db2.gz RYKFMGKFLNQCDX-UHFFFAOYSA-N 2 0 372.557 3.411 20 0 FGADRP CN(c1ccccc1CN1CCC[C@H]([NH+]2CCCC2)C1)C1CC[NH+](C)CC1 ZINC000092047162 494767809 /nfs/dbraw/zinc/76/78/09/494767809.db2.gz BKOCPRWPUFJDGK-QFIPXVFZSA-N 2 0 370.585 3.277 20 0 FGADRP Cc1ncc([C@@H](C)[NH2+][C@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)c(C)n1 ZINC000126695505 494820635 /nfs/dbraw/zinc/82/06/35/494820635.db2.gz CVWCHXVSLABIGQ-HUUCEWRRSA-N 2 0 371.504 3.396 20 0 FGADRP C[C@@H]([NH2+][C@H]1CCCc2c1cnn2C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000126770683 494835968 /nfs/dbraw/zinc/83/59/68/494835968.db2.gz IEIMIBGAUJOTRR-BEFAXECRSA-N 2 0 371.504 3.039 20 0 FGADRP CC[NH+]1CCC(CC[NH2+][C@H](C)c2cc(OC)c(OC)c(OC)c2)CC1 ZINC000121706938 494843088 /nfs/dbraw/zinc/84/30/88/494843088.db2.gz CPDKDNCNYIFFON-OAHLLOKOSA-N 2 0 350.503 3.485 20 0 FGADRP CC[N@@H+]1CCCC[C@H]1C(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1 ZINC000116816774 494856689 /nfs/dbraw/zinc/85/66/89/494856689.db2.gz IVOBQYBQGAUZEB-INIZCTEOSA-N 2 0 353.894 3.093 20 0 FGADRP CC1CC[NH+](C2CCC(NC(=O)NCCCC[NH+]3CCCC3)CC2)CC1 ZINC000121870536 494878997 /nfs/dbraw/zinc/87/89/97/494878997.db2.gz SZVJGLMWLZKRHN-UHFFFAOYSA-N 2 0 364.578 3.205 20 0 FGADRP C[C@H]1C[C@@H]([N@H+](C)Cc2ccccc2N(C)C2CC[NH+](C)CC2)CCN1C ZINC000093644492 494906492 /nfs/dbraw/zinc/90/64/92/494906492.db2.gz HJWOZGZJQIPPEC-RXVVDRJESA-N 2 0 358.574 3.132 20 0 FGADRP c1[nH]nc(-c2ccccc2)c1C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000093734976 494914729 /nfs/dbraw/zinc/91/47/29/494914729.db2.gz GGEHKCJQLXLRIX-UHFFFAOYSA-N 2 0 354.498 3.154 20 0 FGADRP COCC[N@H+](C)CCCC1CC[NH+](Cc2c[nH]nc2C(C)(C)C)CC1 ZINC000093769455 494918366 /nfs/dbraw/zinc/91/83/66/494918366.db2.gz KDKSDCSRZUPXFQ-UHFFFAOYSA-N 2 0 350.551 3.278 20 0 FGADRP COc1ccc(C[NH+]2CCC(CC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)cc1O ZINC000093844305 494926816 /nfs/dbraw/zinc/92/68/16/494926816.db2.gz ANDDLMNJRWJSFQ-IRXDYDNUSA-N 2 0 362.514 3.112 20 0 FGADRP CC(=O)Nc1ccc(C[NH+]2CCC(CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc1 ZINC000093844301 494926871 /nfs/dbraw/zinc/92/68/71/494926871.db2.gz KQTSMLVWFRCHGS-HDICACEKSA-N 2 0 373.541 3.356 20 0 FGADRP OC1CC[NH+](Cc2ccccc2C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)CC1 ZINC000122123973 494927373 /nfs/dbraw/zinc/92/73/73/494927373.db2.gz NPUGBZSMXLSZNG-BDTNDASRSA-N 2 0 370.537 3.081 20 0 FGADRP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1)c1ccc2c(c1)OCO2 ZINC000132814041 494928134 /nfs/dbraw/zinc/92/81/34/494928134.db2.gz ALJCDUBUZZBTQM-MRXNPFEDSA-N 2 0 368.477 3.223 20 0 FGADRP C[C@H]([NH2+][C@H](CN1CC[NH+](C)CC1)c1ccccc1)c1ccccc1N(C)C ZINC000093944413 494938491 /nfs/dbraw/zinc/93/84/91/494938491.db2.gz XRYHWHBHTAWUSO-SIKLNZKXSA-N 2 0 366.553 3.392 20 0 FGADRP C[C@H]([NH2+]Cc1ccccc1OCC[NH+](C)C)c1ccc([S@@](C)=O)cc1 ZINC000122360840 494963663 /nfs/dbraw/zinc/96/36/63/494963663.db2.gz WQDTUEPVENYSCM-LMKMVOKYSA-N 2 0 360.523 3.215 20 0 FGADRP C[NH+](C)C1CCN(CC[NH2+][C@@H]2CCCc3ncc(C(F)(F)F)cc32)CC1 ZINC000133151566 494977474 /nfs/dbraw/zinc/97/74/74/494977474.db2.gz UFCWFXWJMWTMPV-QGZVFWFLSA-N 2 0 370.463 3.093 20 0 FGADRP C[C@H](C[NH2+][C@@H]1C[C@@H](C)c2c1cccc2Br)N1CC[NH+](C)CC1 ZINC000127682788 494981013 /nfs/dbraw/zinc/98/10/13/494981013.db2.gz IBYBLTGNGYKMKO-CKEIUWERSA-N 2 0 366.347 3.223 20 0 FGADRP CC[C@@H](CSc1ccc(Cl)cc1)[NH2+]C[C@@H](C)N1CC[NH+](C)CC1 ZINC000127769209 494994916 /nfs/dbraw/zinc/99/49/16/494994916.db2.gz PPEMZIBGIRJLFY-WBVHZDCISA-N 2 0 355.979 3.436 20 0 FGADRP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCc2ccc(C[NH+](C)C)cc2)C1 ZINC000097257250 495029247 /nfs/dbraw/zinc/02/92/47/495029247.db2.gz YTAXEYMVUVRPSU-KRWDZBQOSA-N 2 0 360.546 3.058 20 0 FGADRP CC[NH+](CC)Cc1ccc(CNC(=O)N(C)[C@H]2CC[N@H+](CC)C[C@H]2C)cc1 ZINC000128076357 495040379 /nfs/dbraw/zinc/04/03/79/495040379.db2.gz ORVYGNRQLVUBOV-NQIIRXRSSA-N 2 0 374.573 3.400 20 0 FGADRP CC(C)Sc1ccc([C@@H](C)[NH2+]CCC[N@@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000128107182 495045601 /nfs/dbraw/zinc/04/56/01/495045601.db2.gz JGIYVYHTXIBTQJ-AEFFLSMTSA-N 2 0 363.571 3.425 20 0 FGADRP CCCC[C@@H](C(=O)Nc1cc(C)on1)[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000118868641 495051107 /nfs/dbraw/zinc/05/11/07/495051107.db2.gz UXHJDKBJPVAJEK-KRWDZBQOSA-N 2 0 350.507 3.144 20 0 FGADRP C[NH+](Cc1ccccc1C[N@@H+](C)[C@@H](CO)C(C)(C)C)[C@@H](CO)C(C)(C)C ZINC000118969834 495061654 /nfs/dbraw/zinc/06/16/54/495061654.db2.gz MEHSQWONJTVOGP-PMACEKPBSA-N 2 0 364.574 3.364 20 0 FGADRP C[C@@H]1CCC[N@H+](CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)CC1 ZINC000101546996 495075273 /nfs/dbraw/zinc/07/52/73/495075273.db2.gz DHPRLFNZDRMMHD-QGZVFWFLSA-N 2 0 361.555 3.296 20 0 FGADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000111464516 495077911 /nfs/dbraw/zinc/07/79/11/495077911.db2.gz WNCSRMNGSMFKBK-OAQYLSRUSA-N 2 0 372.557 3.133 20 0 FGADRP CC[NH+](CC)CCOc1ccc(NC(=O)[C@@H]2C[NH2+]Cc3ccccc32)cc1 ZINC000580440424 505760000 /nfs/dbraw/zinc/76/00/00/505760000.db2.gz WCVRHFBGCFLOIC-OAQYLSRUSA-N 2 0 367.493 3.233 20 0 FGADRP CN(c1ccccc1CNCC[N@H+](C)C1CCCC1)C1CC[NH+](C)CC1 ZINC000133987962 495090613 /nfs/dbraw/zinc/09/06/13/495090613.db2.gz CBIGXBMITGFWAN-UHFFFAOYSA-N 2 0 358.574 3.181 20 0 FGADRP COc1cc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)ccc1OC(C)C ZINC000134075041 495102361 /nfs/dbraw/zinc/10/23/61/495102361.db2.gz RATYNPCRYDVSJH-UHFFFAOYSA-N 2 0 362.514 3.027 20 0 FGADRP CCN1CCCC[C@@H]1C[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000134127725 495110132 /nfs/dbraw/zinc/11/01/32/495110132.db2.gz XPHNURYAVGWQGX-OAQYLSRUSA-N 2 0 358.574 3.181 20 0 FGADRP CC(C)[NH2+]C1CCN(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000111808105 495114107 /nfs/dbraw/zinc/11/41/07/495114107.db2.gz PDQXSUCUZAQLNI-UHFFFAOYSA-N 2 0 372.557 3.345 20 0 FGADRP CCC[NH+]1CCC(CNC(=O)NC2CC[NH+](CC3CCCC3)CC2)CC1 ZINC000102008952 495115400 /nfs/dbraw/zinc/11/54/00/495115400.db2.gz MQCSRJBOLILZQK-UHFFFAOYSA-N 2 0 364.578 3.062 20 0 FGADRP Cc1ccc([C@H](CNC(=O)N2CCC([NH2+]C(C)C)CC2)[NH+]2CCCC2)cc1 ZINC000111845623 495119460 /nfs/dbraw/zinc/11/94/60/495119460.db2.gz MDZWABNMNICZSZ-NRFANRHFSA-N 2 0 372.557 3.304 20 0 FGADRP C[C@@H](CNC(=O)N1CCC(C[NH+]2CCCC2)CC1)[N@H+](C)Cc1ccccc1 ZINC000111874813 495123943 /nfs/dbraw/zinc/12/39/43/495123943.db2.gz LHLMIZDAIFFPTI-IBGZPJMESA-N 2 0 372.557 3.024 20 0 FGADRP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H](C)c3ccc(F)c(F)c3)cn2)CC1 ZINC000112529226 495200922 /nfs/dbraw/zinc/20/09/22/495200922.db2.gz RGSGEDGYHPMYKY-HNNXBMFYSA-N 2 0 360.452 3.353 20 0 FGADRP CC(C)[NH+](CCNC(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1)C(C)C ZINC000103297478 495215166 /nfs/dbraw/zinc/21/51/66/495215166.db2.gz AQHROSPUJACOKR-FQEVSTJZSA-N 2 0 366.594 3.259 20 0 FGADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)Nc1ccccc1Oc1ccccc1 ZINC000119739016 495230506 /nfs/dbraw/zinc/23/05/06/495230506.db2.gz PYOAYPKAEAJAHO-UHFFFAOYSA-N 2 0 370.497 3.436 20 0 FGADRP CC(C)S(=O)(=O)CCC[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000119835073 495251204 /nfs/dbraw/zinc/25/12/04/495251204.db2.gz KDQAOTLAVCUBSC-UHFFFAOYSA-N 2 0 366.571 3.044 20 0 FGADRP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)c2cccc(C[NH+]3CCCC3)c2)C1 ZINC000124420885 495284575 /nfs/dbraw/zinc/28/45/75/495284575.db2.gz BWMIRMQHBZBLIQ-FQEVSTJZSA-N 2 0 357.542 3.380 20 0 FGADRP Cc1nccn1-c1ccc([C@@H](C)[NH2+]CC2CC[NH+](CCN(C)C)CC2)cc1 ZINC000124449201 495289688 /nfs/dbraw/zinc/28/96/88/495289688.db2.gz BLZGQTKVJFEOLG-GOSISDBHSA-N 2 0 369.557 3.105 20 0 FGADRP C[NH+](C)C[C@H]1CCN(C(=O)c2cccc(C[N@H+](C)Cc3ccccc3)c2)C1 ZINC000113456267 495307045 /nfs/dbraw/zinc/30/70/45/495307045.db2.gz PCEVRZBLMIRGLC-OAQYLSRUSA-N 2 0 365.521 3.342 20 0 FGADRP CC(=O)Nc1cccc([C@H](C)[NH2+]CC2(N3CCCCC3)CC[NH+](C)CC2)c1 ZINC000124610172 495315907 /nfs/dbraw/zinc/31/59/07/495315907.db2.gz HNTXMAVQLZDBFT-SFHVURJKSA-N 2 0 372.557 3.246 20 0 FGADRP C[NH+](C)CCC1CC[NH+](C[C@H](O)COc2cccc(C(F)(F)F)c2)CC1 ZINC000104947496 495317930 /nfs/dbraw/zinc/31/79/30/495317930.db2.gz SBSDIQWTNUWIQF-KRWDZBQOSA-N 2 0 374.447 3.109 20 0 FGADRP C[C@@H](CNC(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1)C[NH+]1CCCC1 ZINC000113597890 495319536 /nfs/dbraw/zinc/31/95/36/495319536.db2.gz PHSMMPIDELJDDG-IBGZPJMESA-N 2 0 372.557 3.024 20 0 FGADRP C[C@H]([NH2+]C1(CNC(=O)NC[C@H]2CCC[N@H+](C)C2)CCCC1)c1ccccc1 ZINC000113619659 495322320 /nfs/dbraw/zinc/32/23/20/495322320.db2.gz GAJQCNPKTIUNOO-RBUKOAKNSA-N 2 0 372.557 3.291 20 0 FGADRP CCC(CC)(CNC(=O)N1CC[C@@H](C[NH+](C)C)C1)[NH2+][C@@H](C)c1ccccc1 ZINC000129993551 495325408 /nfs/dbraw/zinc/32/54/08/495325408.db2.gz IFALLXDOFFUFPN-OALUTQOASA-N 2 0 374.573 3.489 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1)c1ccccc1 ZINC000105083443 495335233 /nfs/dbraw/zinc/33/52/33/495335233.db2.gz CJYMSAMDDZAUPQ-CTNGQTDRSA-N 2 0 374.573 3.489 20 0 FGADRP CC[NH+](CC)Cc1ccc(CNC(=O)NC[C@@H]2CCC[N@H+](CC)C2)cc1 ZINC000105093576 495336085 /nfs/dbraw/zinc/33/60/85/495336085.db2.gz CARCCDGHNAZIML-FQEVSTJZSA-N 2 0 360.546 3.060 20 0 FGADRP C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N2CCC[C@H]([NH+](C)C)C2)C1 ZINC000105113373 495337802 /nfs/dbraw/zinc/33/78/02/495337802.db2.gz XXBLQHRSLFDVGH-NQIIRXRSSA-N 2 0 372.557 3.154 20 0 FGADRP CC[C@@H](C)[C@@H]1CN(Cc2ccc(C)nc2)CCN1CC[NH+]1CCCCC1 ZINC000135892535 495341405 /nfs/dbraw/zinc/34/14/05/495341405.db2.gz NGTQVOZSXZSOOZ-KNQAVFIVSA-N 2 0 358.574 3.408 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@H](c2ccc(F)cc2)N(C)C)[C@H](C)C1 ZINC000124797079 495345205 /nfs/dbraw/zinc/34/52/05/495345205.db2.gz CYUJDSSJLIZFJJ-QMMLZNLJSA-N 2 0 365.537 3.155 20 0 FGADRP Cc1ccc(C)c(C[NH2+]Cc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)c1 ZINC000130178052 495352923 /nfs/dbraw/zinc/35/29/23/495352923.db2.gz IPKRZBFNAGXQTK-UHFFFAOYSA-N 2 0 365.521 3.419 20 0 FGADRP C[C@H](NC(=O)NC1CCC([NH+]2CCC(C)CC2)CC1)C(C)(C)C[NH+](C)C ZINC000130352560 495378338 /nfs/dbraw/zinc/37/83/38/495378338.db2.gz HBLROKBKHJTIEB-VIQWUECVSA-N 2 0 366.594 3.305 20 0 FGADRP CC[NH+]1CCN([C@H]2CC[N@H+](CCOc3cc(Cl)cc(Cl)c3)C2)CC1 ZINC000130418349 495389700 /nfs/dbraw/zinc/38/97/00/495389700.db2.gz QWICYZNVEATWRU-KRWDZBQOSA-N 2 0 372.340 3.084 20 0 FGADRP CCn1cc([C@H](C)[NH2+]CCCC[NH+]2CCN(c3cccc(C)c3)CC2)cn1 ZINC000125323121 495426126 /nfs/dbraw/zinc/42/61/26/495426126.db2.gz DKRMWZKEYCBUTP-FQEVSTJZSA-N 2 0 369.557 3.464 20 0 FGADRP C[C@@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]CCC1CC[NH+](C)CC1 ZINC000125420594 495441451 /nfs/dbraw/zinc/44/14/51/495441451.db2.gz NFZWNDFSIPAQDE-INIZCTEOSA-N 2 0 365.949 3.399 20 0 FGADRP C[NH+](C)Cc1ccc(CNC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2)cc1 ZINC000120759665 495452267 /nfs/dbraw/zinc/45/22/67/495452267.db2.gz NONSTYMBKUHCDD-QFIPXVFZSA-N 2 0 365.521 3.419 20 0 FGADRP O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000106516760 495459582 /nfs/dbraw/zinc/45/95/82/495459582.db2.gz UGECHXCFYLMHTL-MJGOQNOKSA-N 2 0 374.529 3.123 20 0 FGADRP Cc1nc(C(C)(C)C)sc1[C@@H](C)[NH2+]C[C@H](C)CN1CC[NH+](C)CC1 ZINC000121001813 495500874 /nfs/dbraw/zinc/50/08/74/495500874.db2.gz PTMBQKGASDYVJL-LSDHHAIUSA-N 2 0 352.592 3.283 20 0 FGADRP C[C@@H]([NH2+]CCCC[NH+]1CCN(C)CC1)c1ccc(Br)cc1F ZINC000125874731 495511511 /nfs/dbraw/zinc/51/15/11/495511511.db2.gz KUWYTSIRESSKOC-CQSZACIVSA-N 2 0 372.326 3.266 20 0 FGADRP C[NH+](C)CCN(C(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000580568951 505788226 /nfs/dbraw/zinc/78/82/26/505788226.db2.gz VLIPTCPKRFJNAJ-FQEVSTJZSA-N 2 0 351.494 3.103 20 0 FGADRP CC[C@H]([NH2+]CCCN1CC[NH+](CC)CC1)c1cc(Cl)ccc1OC ZINC000154239446 495554683 /nfs/dbraw/zinc/55/46/83/495554683.db2.gz NXNZMMSGDLZSET-SFHVURJKSA-N 2 0 353.938 3.417 20 0 FGADRP C[C@H](CNC(=O)NC1CC[NH+](C2CCCCC2)CC1)[NH+]1CCC(C)CC1 ZINC000176276958 495575436 /nfs/dbraw/zinc/57/54/36/495575436.db2.gz UZVJBQDLJTUECD-GOSISDBHSA-N 2 0 364.578 3.203 20 0 FGADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000176333279 495605399 /nfs/dbraw/zinc/60/53/99/495605399.db2.gz CNUGZIHGIQUBIS-HKBOAZHASA-N 2 0 370.541 3.092 20 0 FGADRP CCCC(=O)Nc1ccc(C[NH2+][C@@H]2CC[N@H+](C[C@@H]3CCCO3)C[C@@H]2C)cc1 ZINC000158909242 495613162 /nfs/dbraw/zinc/61/31/62/495613162.db2.gz KFKXQDYSVCITEH-DZFGPLHGSA-N 2 0 373.541 3.404 20 0 FGADRP C[C@@H](NC(=O)NCC[N@H+](C)Cc1ccccc1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000182555537 495613984 /nfs/dbraw/zinc/61/39/84/495613984.db2.gz BJMBLGNECFZIRH-UYAOXDASSA-N 2 0 372.557 3.071 20 0 FGADRP C[C@@H]([NH2+]Cc1cccc(OCC[N@H+](C)C2CCOCC2)c1)c1ccccn1 ZINC000158983549 495630054 /nfs/dbraw/zinc/63/00/54/495630054.db2.gz KCZLMFAAOOKGJM-GOSISDBHSA-N 2 0 369.509 3.422 20 0 FGADRP CCN1CC[NH+](CCCC[NH2+][C@H](C)c2ccc(SC)c(OC)c2)CC1 ZINC000154520557 495641798 /nfs/dbraw/zinc/64/17/98/495641798.db2.gz OAZJKXQOIXHZCR-QGZVFWFLSA-N 2 0 365.587 3.485 20 0 FGADRP COCCC[NH+]1CCC([NH2+][C@H](C)c2ccc(NC(=O)NC3CC3)cc2)CC1 ZINC000159068548 495650110 /nfs/dbraw/zinc/65/01/10/495650110.db2.gz HSAFDIUKBPKCJA-MRXNPFEDSA-N 2 0 374.529 3.122 20 0 FGADRP Cc1ccc(OC[C@H](O)C[NH2+]C[C@H]2CCCN(C)[C@H]2c2cccs2)cc1 ZINC000568858006 505795234 /nfs/dbraw/zinc/79/52/34/505795234.db2.gz YREKXBIURKFRAE-DBXWQHBBSA-N 2 0 374.550 3.469 20 0 FGADRP CCC[NH+]1CCC(NC(=O)NC(C)(C)C[N@H+](C)Cc2ccccc2)CC1 ZINC000159122774 495664518 /nfs/dbraw/zinc/66/45/18/495664518.db2.gz JFBYRJFNUBUESL-UHFFFAOYSA-N 2 0 360.546 3.071 20 0 FGADRP C[C@@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)c1ccc2c(c1)CCC2 ZINC000159145407 495668952 /nfs/dbraw/zinc/66/89/52/495668952.db2.gz PLVWSNNAPDUYBA-QGZVFWFLSA-N 2 0 350.510 3.173 20 0 FGADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000159251110 495694052 /nfs/dbraw/zinc/69/40/52/495694052.db2.gz ZLHWDQJKDDXGBX-IBGZPJMESA-N 2 0 357.542 3.279 20 0 FGADRP CC1CC[NH+](CCNC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000159269727 495697680 /nfs/dbraw/zinc/69/76/80/495697680.db2.gz RKJTXCRXQFFBPW-UHFFFAOYSA-N 2 0 357.542 3.137 20 0 FGADRP C[NH+](C)CCN1CCC([NH2+][C@H]2CCSc3ccc(Cl)cc32)CC1 ZINC000150971566 495697748 /nfs/dbraw/zinc/69/77/48/495697748.db2.gz DAXIHRWVNWGDKM-KRWDZBQOSA-N 2 0 353.963 3.493 20 0 FGADRP CCC[NH+]1CCC(N(C)C(=O)NCc2cccc(C[NH+]3CCCC3)c2)CC1 ZINC000171037176 495699377 /nfs/dbraw/zinc/69/93/77/495699377.db2.gz RNMWETLZQFWZDB-UHFFFAOYSA-N 2 0 372.557 3.298 20 0 FGADRP Cc1nccn1CCCC[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000150988033 495703710 /nfs/dbraw/zinc/70/37/10/495703710.db2.gz WTAMGDJCXSPKDI-UHFFFAOYSA-N 2 0 369.557 3.292 20 0 FGADRP Cc1nc2c(s1)[C@H]([NH2+]CCN1CC[NH+](Cc3ccccc3)CC1)CCC2 ZINC000159349491 495714901 /nfs/dbraw/zinc/71/49/01/495714901.db2.gz MOSTXYNMTRJUKW-LJQANCHMSA-N 2 0 370.566 3.236 20 0 FGADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000176631913 495727261 /nfs/dbraw/zinc/72/72/61/495727261.db2.gz UBLRPWORVLNPFD-WOJBJXKFSA-N 2 0 360.546 3.153 20 0 FGADRP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc(OCc3nccn3C)cc2)C1 ZINC000151108409 495740498 /nfs/dbraw/zinc/74/04/98/495740498.db2.gz PHAQXIQQUOYUNJ-ROUUACIJSA-N 2 0 356.514 3.382 20 0 FGADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CC1(N2CCSCC2)CCCCC1 ZINC000577839739 505802065 /nfs/dbraw/zinc/80/20/65/505802065.db2.gz OMODUUSDFHOCRU-INIZCTEOSA-N 2 0 362.587 3.251 20 0 FGADRP CC(C)CN(C(=O)CN(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(C)C ZINC000173976855 495771340 /nfs/dbraw/zinc/77/13/40/495771340.db2.gz SVGODOGHZWBBOW-OAQYLSRUSA-N 2 0 359.558 3.333 20 0 FGADRP c1cn(-c2ccccc2)nc1C[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000182961529 495775865 /nfs/dbraw/zinc/77/58/65/495775865.db2.gz VQPYPHDWOKYAPK-UHFFFAOYSA-N 2 0 368.525 3.197 20 0 FGADRP C[C@@H](C(=O)NC1CC[NH+](CCc2ccccc2)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000171251626 495789609 /nfs/dbraw/zinc/78/96/09/495789609.db2.gz DESWCSMRNKIGFZ-OTWHNJEPSA-N 2 0 357.542 3.071 20 0 FGADRP CC[C@@H]([NH2+][C@H](C)CN1CC[NH+](C)CC1)c1ccc(Br)cc1 ZINC000155124756 495845244 /nfs/dbraw/zinc/84/52/44/495845244.db2.gz MVPWXJVUMKLRFE-RHSMWYFYSA-N 2 0 354.336 3.126 20 0 FGADRP Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]C[C@H](C(C)C)N1CC[NH+](C)CC1)CC3 ZINC000180070127 495845449 /nfs/dbraw/zinc/84/54/49/495845449.db2.gz UIQQWECQBDYSJV-FDDCHVKYSA-N 2 0 368.569 3.195 20 0 FGADRP O[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)Cc1ccccc1 ZINC000180132624 495872568 /nfs/dbraw/zinc/87/25/68/495872568.db2.gz HLPWQAVQHNQLMJ-GLCCWIKHSA-N 2 0 350.506 3.375 20 0 FGADRP CCC[NH+]1CCC([N@H+](C)C[C@H](O)COCc2ccccc2Cl)CC1 ZINC000177051142 495901649 /nfs/dbraw/zinc/90/16/49/495901649.db2.gz PNVFRLJDIVZLAH-SFHVURJKSA-N 2 0 354.922 3.024 20 0 FGADRP CCC[NH+]1CCN(c2ccccc2CNCc2nccn2C(F)F)CC1 ZINC000151771426 495941783 /nfs/dbraw/zinc/94/17/83/495941783.db2.gz BMTHBVAWNMYXNQ-UHFFFAOYSA-N 2 0 363.456 3.100 20 0 FGADRP CC[C@@H]([NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1)c1ccccc1F ZINC000180413346 495987443 /nfs/dbraw/zinc/98/74/43/495987443.db2.gz ZEZVPBVOOSMASI-HXUWFJFHSA-N 2 0 357.473 3.358 20 0 FGADRP Cc1ccc(-c2n[nH]cc2C[NH2+]CC2(N3CCCCC3)CC[NH+](C)CC2)o1 ZINC000174581927 496020678 /nfs/dbraw/zinc/02/06/78/496020678.db2.gz OJQNRZLIUVIAGG-UHFFFAOYSA-N 2 0 371.529 3.018 20 0 FGADRP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C1CCN(C(=O)NC2CCCCC2)CC1 ZINC000574629970 505819023 /nfs/dbraw/zinc/81/90/23/505819023.db2.gz JYVQUOLCQYVZGC-FXAWDEMLSA-N 2 0 364.578 3.394 20 0 FGADRP CC(=O)c1c(C)cc(C)c(C[N@@H+](C)CCN(C)C2CC[NH+](C)CC2)c1C ZINC000177385520 496041220 /nfs/dbraw/zinc/04/12/20/496041220.db2.gz LBJZKHJOMUJZJB-UHFFFAOYSA-N 2 0 359.558 3.272 20 0 FGADRP C[C@@H]1CCN(C(=O)NCCC2CC[NH+](C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000174711360 496072057 /nfs/dbraw/zinc/07/20/57/496072057.db2.gz WRGMENFRAPBSQR-LJQANCHMSA-N 2 0 372.557 3.024 20 0 FGADRP C[C@@H]1C[N@@H+](CCC2CC[NH+](CCCCCn3cccn3)CC2)C[C@H](C)O1 ZINC000177489744 496082900 /nfs/dbraw/zinc/08/29/00/496082900.db2.gz CGOUIKPAVVFJNS-BGYRXZFFSA-N 2 0 362.562 3.265 20 0 FGADRP CC[NH+](CC)Cc1ccccc1CNC(=O)N1CC[C@H]([NH+](CC)CC)C1 ZINC000174786051 496106600 /nfs/dbraw/zinc/10/66/00/496106600.db2.gz LAMUFJAPESPTSS-FQEVSTJZSA-N 2 0 360.546 3.154 20 0 FGADRP CN(c1ccccc1CNCCC[NH+]1CCCCC1)C1CC[NH+](C)CC1 ZINC000177559214 496110896 /nfs/dbraw/zinc/11/08/96/496110896.db2.gz MZJNLMQVQYSRKQ-UHFFFAOYSA-N 2 0 358.574 3.183 20 0 FGADRP C[C@@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)c1ccc(OCc2nccn2C)cc1 ZINC000152408733 496142460 /nfs/dbraw/zinc/14/24/60/496142460.db2.gz SNXNWZLJSAPHCF-IAGOWNOFSA-N 2 0 354.498 3.134 20 0 FGADRP CCC[N@H+](CC)C[C@@H](C)NC(=O)N[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000571848915 505827348 /nfs/dbraw/zinc/82/73/48/505827348.db2.gz VXRGKNXVPSUQJA-SFHLNBCPSA-N 2 0 374.573 3.459 20 0 FGADRP O=C(NCCCCC[NH+]1CCCCC1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000161608446 496207008 /nfs/dbraw/zinc/20/70/08/496207008.db2.gz SUSIUKFFRGDNRD-FQEVSTJZSA-N 2 0 364.578 3.303 20 0 FGADRP O=C(CC[NH2+]C1CC[NH+](C2CCCC2)CC1)Nc1cc(F)cc(F)c1 ZINC000574683981 505831353 /nfs/dbraw/zinc/83/13/53/505831353.db2.gz AKDQCRKAFDDBQF-UHFFFAOYSA-N 2 0 351.441 3.290 20 0 FGADRP CC1(C)Cc2cccc(C[NH2+]Cc3ccccc3C[N@@H+]3CC[C@@H](O)C3)c2O1 ZINC000180994783 496233808 /nfs/dbraw/zinc/23/38/08/496233808.db2.gz RKCASAOZNNPUDE-OAQYLSRUSA-N 2 0 366.505 3.257 20 0 FGADRP C[NH+](C)CCNC(=O)c1ccc(C[NH2+][C@H]2CC(C)(C)c3ccccc32)cc1 ZINC000180997253 496234142 /nfs/dbraw/zinc/23/41/42/496234142.db2.gz JLQRXHSKKCRONU-NRFANRHFSA-N 2 0 365.521 3.490 20 0 FGADRP O=C(c1cccc(CN2CCCC[C@@H]2[C@@H]2CCC[NH2+]2)c1)N1CCCCC1 ZINC000580764867 505832899 /nfs/dbraw/zinc/83/28/99/505832899.db2.gz SDJGRQXXZVDVQY-LEWJYISDSA-N 2 0 355.526 3.419 20 0 FGADRP C[C@@H]1C[C@H](NC(=O)CC2(C[NH3+])CCCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000184233649 496297096 /nfs/dbraw/zinc/29/70/96/496297096.db2.gz FCLZUHWALUWPDL-UYAOXDASSA-N 2 0 357.542 3.455 20 0 FGADRP C[C@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)c1ccc2ccccc2n1 ZINC000178120363 496337391 /nfs/dbraw/zinc/33/73/91/496337391.db2.gz USMRXGOSPRRBJJ-KRWDZBQOSA-N 2 0 361.493 3.232 20 0 FGADRP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCC[NH+](C3CCCC3)CC2)C1 ZINC000172562632 496341489 /nfs/dbraw/zinc/34/14/89/496341489.db2.gz OZAAMJXYPRDQHM-SFHVURJKSA-N 2 0 364.578 3.157 20 0 FGADRP C[C@H](OC[C@@H](O)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1)c1ccc(Cl)cc1 ZINC000162820651 496418253 /nfs/dbraw/zinc/41/82/53/496418253.db2.gz MEJMZKUHMRWOGG-MFHCWRBVSA-N 2 0 366.933 3.195 20 0 FGADRP CC[NH+]1CCN(Cc2ccccc2C[NH2+][C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)CC1 ZINC000181518584 496430220 /nfs/dbraw/zinc/43/02/20/496430220.db2.gz LENYTBJVOQXQHQ-BDTNDASRSA-N 2 0 371.569 3.117 20 0 FGADRP C[N@H+](CCCNC(=O)NC1CC[NH+](C2CCCC2)CC1)Cc1ccccc1 ZINC000175557571 496441861 /nfs/dbraw/zinc/44/18/61/496441861.db2.gz PPSPFJUXPACOBE-UHFFFAOYSA-N 2 0 372.557 3.215 20 0 FGADRP CCC[N@H+](CC)CCNC(=O)NC[C@H]1CCC[NH+](C)[C@@H]1c1cccs1 ZINC000175569844 496446168 /nfs/dbraw/zinc/44/61/68/496446168.db2.gz NQYNUFIGCJFZPZ-AEFFLSMTSA-N 2 0 366.575 3.162 20 0 FGADRP C[NH+](C)Cc1cccc(C(=O)NC[C@H](C2CC2)[N@H+](C)Cc2ccccc2)c1 ZINC000187458745 496450094 /nfs/dbraw/zinc/45/00/94/496450094.db2.gz OGXRMRLNRPOZIP-JOCHJYFZSA-N 2 0 365.521 3.389 20 0 FGADRP C[C@H](CCNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)[NH+](C)Cc1ccccc1 ZINC000175592354 496455075 /nfs/dbraw/zinc/45/50/75/496455075.db2.gz YPYCDJONSQXDTE-LBFURVHYSA-N 2 0 372.557 3.212 20 0 FGADRP CSc1ccc([C@@H](CNC(=O)[C@H](C)[NH+]2CCCCCC2)[NH+](C)C)cc1 ZINC000571913303 505845305 /nfs/dbraw/zinc/84/53/05/505845305.db2.gz KDJVYAQHMZSLOR-QFBILLFUSA-N 2 0 363.571 3.392 20 0 FGADRP Brc1cccc(C2([NH2+]CC[C@H]3CC[NH2+]C3)CCOCC2)c1 ZINC000574744065 505845634 /nfs/dbraw/zinc/84/56/34/505845634.db2.gz ABESQWGPGHRJPD-CQSZACIVSA-N 2 0 353.304 3.044 20 0 FGADRP C[C@H](C(=O)N1CCSc2ccccc21)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157392860 496468826 /nfs/dbraw/zinc/46/88/26/496468826.db2.gz ZKKZKAVLXSACLU-MSOLQXFVSA-N 2 0 373.566 3.464 20 0 FGADRP C[C@H](CCNC(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1)[NH+](C)Cc1ccccc1 ZINC000175640563 496477841 /nfs/dbraw/zinc/47/78/41/496477841.db2.gz IIXLNEVKIQAZAU-QWFCFKBJSA-N 2 0 360.546 3.021 20 0 FGADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000175638711 496478237 /nfs/dbraw/zinc/47/82/37/496478237.db2.gz FFRNQGNKPPUMRO-HLAWJBBLSA-N 2 0 372.557 3.023 20 0 FGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]CCCOC(C)C)CC1 ZINC000181641628 496482382 /nfs/dbraw/zinc/48/23/82/496482382.db2.gz XFJYXEUTDMYSRT-KRWDZBQOSA-N 2 0 351.510 3.433 20 0 FGADRP CC[C@H]([NH2+]C[C@@H](C)N1CC[NH+](C)CC1)c1cc(F)cc(Br)c1 ZINC000181703084 496509738 /nfs/dbraw/zinc/50/97/38/496509738.db2.gz GDISRPCXNCFMHE-DYVFJYSZSA-N 2 0 372.326 3.265 20 0 FGADRP C[C@@H](CCNC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)[NH+]1CCCCC1 ZINC000184750333 496517589 /nfs/dbraw/zinc/51/75/89/496517589.db2.gz YHJXNNTXYHNOLE-IBGZPJMESA-N 2 0 372.557 3.346 20 0 FGADRP CC(C)CC[NH+]1CCC(C[NH2+][C@@H](C)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC000163601230 496536536 /nfs/dbraw/zinc/53/65/36/496536536.db2.gz WLSUHSBOGMTSKE-KRWDZBQOSA-N 2 0 366.571 3.499 20 0 FGADRP C[C@H]1C[C@@H]([NH2+]C[C@@H]2CCN(c3ccc(Br)cc3)C2)CC[N@@H+]1C ZINC000178711849 496547991 /nfs/dbraw/zinc/54/79/91/496547991.db2.gz YXXZQEPYVSBECA-ZOBUZTSGSA-N 2 0 366.347 3.348 20 0 FGADRP C[C@@H](C(=O)NCC1CC[NH+](Cc2ccccc2)CC1)[C@@H]([NH3+])c1ccccc1 ZINC000178731455 496554212 /nfs/dbraw/zinc/55/42/12/496554212.db2.gz BRVHRRXXUOVGTL-XMSQKQJNSA-N 2 0 365.521 3.351 20 0 FGADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H]2CCCSc3ccc(OC)cc32)CC1 ZINC000187770617 496564944 /nfs/dbraw/zinc/56/49/44/496564944.db2.gz YLSASIPPLAKKQR-QFBILLFUSA-N 2 0 363.571 3.238 20 0 FGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+][C@@H](C)c2cn(C)nc2C)CC1 ZINC000178770425 496565114 /nfs/dbraw/zinc/56/51/14/496565114.db2.gz QQVIDRDSICDDQK-HOTGVXAUSA-N 2 0 373.520 3.421 20 0 FGADRP C[NH+]1CCC(N2CCC([NH2+]CCCCCOc3ccccc3)CC2)CC1 ZINC000187774617 496566130 /nfs/dbraw/zinc/56/61/30/496566130.db2.gz AYLIMOPELOHSEW-UHFFFAOYSA-N 3 0 359.558 3.384 20 0 FGADRP COC[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H](C)C1)C1CCOCC1 ZINC000187776996 496567461 /nfs/dbraw/zinc/56/74/61/496567461.db2.gz APGJQGGMMYPFKC-AVRDEDQJSA-N 2 0 360.542 3.450 20 0 FGADRP C[C@H](C(=O)N[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1)[C@H]([NH3+])c1ccccc1 ZINC000178831447 496586538 /nfs/dbraw/zinc/58/65/38/496586538.db2.gz MBAHSFQCLCPHHY-PZBISTMVSA-N 2 0 351.494 3.102 20 0 FGADRP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000178845264 496591189 /nfs/dbraw/zinc/59/11/89/496591189.db2.gz CFEWUFIQGMMIMZ-CEMLEFRQSA-N 2 0 371.569 3.383 20 0 FGADRP CC(=O)Nc1ccc([C@H](C)[NH2+]Cc2ccc(OCC[NH+](C)C)cc2)cc1 ZINC000181960397 496614381 /nfs/dbraw/zinc/61/43/81/496614381.db2.gz IYOZHQLMQQMMCG-INIZCTEOSA-N 2 0 355.482 3.436 20 0 FGADRP CCO[C@@H]1C[C@H]([NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)C1(CC)CC ZINC000182029104 496640362 /nfs/dbraw/zinc/64/03/62/496640362.db2.gz ABVIBHLLDBRTEZ-FUMNGEBKSA-N 2 0 352.563 3.328 20 0 FGADRP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](CCCCC(F)(F)F)CC1 ZINC000154021803 496657824 /nfs/dbraw/zinc/65/78/24/496657824.db2.gz ZGYYSIWZJPHRIC-UHFFFAOYSA-N 2 0 365.484 3.135 20 0 FGADRP Cc1ccc2c(c1)[C@@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)CCC2 ZINC000166340425 496683864 /nfs/dbraw/zinc/68/38/64/496683864.db2.gz YICMAUGJCMPZFC-NRFANRHFSA-N 2 0 350.510 3.309 20 0 FGADRP [NH3+]Cc1ccc(C(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)cc1 ZINC000166416548 496686000 /nfs/dbraw/zinc/68/60/00/496686000.db2.gz PLDXPBWJZYNNDH-UHFFFAOYSA-N 2 0 351.494 3.451 20 0 FGADRP CN(C)[C@H](C(=O)N1CC(C)(C)[C@H]1c1nccn1C)c1ccc(Cl)cc1 ZINC000569138479 505860728 /nfs/dbraw/zinc/86/07/28/505860728.db2.gz WFSXNWOFPVMYFX-JKSUJKDBSA-N 2 0 360.889 3.286 20 0 FGADRP C[C@@H]([NH2+]CC(C)(C)N[C@@H](C)c1ccccc1)c1ccc(-n2cnnn2)cc1 ZINC000167874589 496707427 /nfs/dbraw/zinc/70/74/27/496707427.db2.gz IOPFFDXOXYKHRY-SJORKVTESA-N 2 0 364.497 3.442 20 0 FGADRP C[C@H]([NH2+][C@H]1CCN(c2ncccc2F)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000168119093 496708729 /nfs/dbraw/zinc/70/87/29/496708729.db2.gz RPOMZDQRAWRVLF-WMZOPIPTSA-N 2 0 372.488 3.091 20 0 FGADRP COc1ccc([C@@H](C)[C@@H](C)[NH2+]Cc2cccnc2N2CC[NH+](C)CC2)cc1 ZINC000158495945 496713185 /nfs/dbraw/zinc/71/31/85/496713185.db2.gz RHHVNYVFDFTZNW-ZWKOTPCHSA-N 2 0 368.525 3.124 20 0 FGADRP CC[NH+](CC)CCCNC(=O)C1CC[NH+](CC2CCC(C)CC2)CC1 ZINC000182244774 496718750 /nfs/dbraw/zinc/71/87/50/496718750.db2.gz FGEPUOBRCRFTIB-UHFFFAOYSA-N 2 0 351.579 3.373 20 0 FGADRP CS(=O)(=O)[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000182243661 496718643 /nfs/dbraw/zinc/71/86/43/496718643.db2.gz KUAWGWXVICBEBR-WOJBJXKFSA-N 2 0 364.555 3.118 20 0 FGADRP CC(C)O[C@@H]1C[C@H]([NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H]2CO)C1(C)C ZINC000185261951 496719939 /nfs/dbraw/zinc/71/99/39/496719939.db2.gz QVMQPKHDMIKSLX-QHAWAJNXSA-N 2 0 360.542 3.325 20 0 FGADRP COc1ccc([C@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CC[C@H](O)C2)c(F)c1 ZINC000182257279 496721868 /nfs/dbraw/zinc/72/18/68/496721868.db2.gz XROAAMVOYQRXNZ-YJBOKZPZSA-N 2 0 358.457 3.252 20 0 FGADRP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1ccc2c(c1)CCO2 ZINC000182268789 496724028 /nfs/dbraw/zinc/72/40/28/496724028.db2.gz SWAWKBLONZUAKD-KKSFZXQISA-N 2 0 352.478 3.039 20 0 FGADRP CSc1ccccc1[C@H](C)[NH2+]C[C@H](O)CN1CCc2ccccc2C1 ZINC000194846437 496734227 /nfs/dbraw/zinc/73/42/27/496734227.db2.gz HBTQOYHYNNZSJW-LPHOPBHVSA-N 2 0 356.535 3.478 20 0 FGADRP C[C@@H]1Cc2ccccc2N1CC[NH2+][C@H]1CCN(Cc2ccccn2)C[C@H]1C ZINC000246954119 496735275 /nfs/dbraw/zinc/73/52/75/496735275.db2.gz INMSCRCQBPANDG-KNKQGSTJSA-N 2 0 364.537 3.333 20 0 FGADRP CC[N@@H+]1CC[C@H]([NH2+][C@H]2CCN(c3ccc(Br)cc3)C2)[C@@H](C)C1 ZINC000246979075 496741506 /nfs/dbraw/zinc/74/15/06/496741506.db2.gz JYCQLFGMHHVUJO-ZVZYQTTQSA-N 2 0 366.347 3.348 20 0 FGADRP COc1cc(Cl)c(C)cc1NC(=O)CC[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000246989638 496744258 /nfs/dbraw/zinc/74/42/58/496744258.db2.gz JIMHTPSFMVLGGK-IJEWVQPXSA-N 2 0 367.921 3.304 20 0 FGADRP C[NH+](C)[C@H]1CCC[N@H+](CCC(=O)Nc2ccccc2C(F)(F)F)CC1 ZINC000277401901 496761184 /nfs/dbraw/zinc/76/11/84/496761184.db2.gz ZODASWHDMMFHJK-AWEZNQCLSA-N 2 0 357.420 3.450 20 0 FGADRP C[C@H]1CCC[N@H+](CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)[C@H]1C ZINC000247085853 496775148 /nfs/dbraw/zinc/77/51/48/496775148.db2.gz XFKCAMIANUQWPH-IRXDYDNUSA-N 2 0 361.555 3.294 20 0 FGADRP CC[NH+](CC)CCCNC(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000247100962 496778438 /nfs/dbraw/zinc/77/84/38/496778438.db2.gz XECYZVMTUFEMCX-MOPGFXCFSA-N 2 0 352.567 3.014 20 0 FGADRP C[C@@H]([NH2+]CCCC[N@@H+]1CCCC[C@@H]1C)c1ccc(NS(C)(=O)=O)cc1 ZINC000247171097 496798012 /nfs/dbraw/zinc/79/80/12/496798012.db2.gz UQXPFHWQEXJQJQ-DLBZAZTESA-N 2 0 367.559 3.363 20 0 FGADRP CCOc1ccc([C@@H](C)[NH2+]CCCN2CC[NH+](CC)CC2)cc1OCC ZINC000268840510 496800530 /nfs/dbraw/zinc/80/05/30/496800530.db2.gz UDTCAOQQTLMADV-GOSISDBHSA-N 2 0 363.546 3.162 20 0 FGADRP C[C@H](C[NH2+][C@@H]1CCN(Cc2ccccn2)C[C@H]1C)N(C)c1ccccc1 ZINC000247204557 496804646 /nfs/dbraw/zinc/80/46/46/496804646.db2.gz WMUADUQRSZWPJR-WOIUINJBSA-N 2 0 352.526 3.407 20 0 FGADRP Brc1ccc(C[NH2+]CC2CCN(c3cc[nH+]cc3)CC2)o1 ZINC000191547578 496805989 /nfs/dbraw/zinc/80/59/89/496805989.db2.gz OMWCZQCZDSIMJL-UHFFFAOYSA-N 2 0 350.260 3.443 20 0 FGADRP C[C@H]([NH2+]CCc1ccc(OCC[NH+](C)C)cc1)c1ccc([S@](C)=O)cc1 ZINC000268870866 496810368 /nfs/dbraw/zinc/81/03/68/496810368.db2.gz KDUOBYFUBZMJTI-QLXKLKPCSA-N 2 0 374.550 3.258 20 0 FGADRP C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]C[C@H]1CCN(c2ccccc2)C1 ZINC000247247894 496815611 /nfs/dbraw/zinc/81/56/11/496815611.db2.gz ZJXKYAUPDIHJQU-VIZSFHNOSA-N 2 0 364.537 3.408 20 0 FGADRP CC(C)[NH+]1CCN(CCC[NH+]2CCC(c3c[nH]c4ncccc34)CC2)CC1 ZINC000191573895 496818653 /nfs/dbraw/zinc/81/86/53/496818653.db2.gz QXZGWOIPDSDZPC-UHFFFAOYSA-N 2 0 369.557 3.158 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cc(C)nc2ccccc21 ZINC000195094273 496820662 /nfs/dbraw/zinc/82/06/62/496820662.db2.gz BQTHYQJTSWXNNP-SFHVURJKSA-N 2 0 368.525 3.031 20 0 FGADRP C[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)c1ccc(-n2cccn2)cc1 ZINC000268980232 496841178 /nfs/dbraw/zinc/84/11/78/496841178.db2.gz CSKPNLCSNVMDEM-QZTJIDSGSA-N 2 0 354.498 3.024 20 0 FGADRP C[C@H](CCNC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1)[NH+](C)Cc1ccccc1 ZINC000247351037 496842085 /nfs/dbraw/zinc/84/20/85/496842085.db2.gz YDNIJMUQNDPPPX-GIVPXCGWSA-N 2 0 372.557 3.023 20 0 FGADRP CC[C@H](C)[N@H+](C)CCNC(=O)NC[C@@H]1CCC[NH+](C)[C@H]1c1cccs1 ZINC000247486057 496869941 /nfs/dbraw/zinc/86/99/41/496869941.db2.gz VFCGRGHEOCGAOW-XYJFISCASA-N 2 0 366.575 3.161 20 0 FGADRP [NH3+]CCCn1ccc2cc(C(=O)N3CCC([NH+]4CCCCC4)CC3)ccc21 ZINC000269236033 496901925 /nfs/dbraw/zinc/90/19/25/496901925.db2.gz MTFHUEMQJGJSHX-UHFFFAOYSA-N 2 0 368.525 3.081 20 0 FGADRP Cc1cc2ncn(C[C@H](O)CN3CCO[C@@H](c4cccs4)C3)c2cc1C ZINC000247672385 496904482 /nfs/dbraw/zinc/90/44/82/496904482.db2.gz YSGXFUFOGGCHLA-VQIMIIECSA-N 2 0 371.506 3.149 20 0 FGADRP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+][C@@H]1CCc2ccc(OC(F)(F)F)cc21 ZINC000247959964 496933620 /nfs/dbraw/zinc/93/36/20/496933620.db2.gz GDFMYPHDRIQCJZ-MAUKXSAKSA-N 2 0 372.431 3.399 20 0 FGADRP CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+]CCC[N@@H+]2CCCC[C@H]2C)cc1 ZINC000248067728 496951798 /nfs/dbraw/zinc/95/17/98/496951798.db2.gz ZTRFOSMFCXLYAN-SJORKVTESA-N 2 0 367.559 3.363 20 0 FGADRP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)c1ccccc1Br ZINC000248124298 496957575 /nfs/dbraw/zinc/95/75/75/496957575.db2.gz NSUDCBXWKSVZHC-GJZGRUSLSA-N 2 0 355.320 3.337 20 0 FGADRP C[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CC[C@H](Cc4ccccc4)C3)cn2)CC1 ZINC000189028573 496983327 /nfs/dbraw/zinc/98/33/27/496983327.db2.gz UUFDVHAQTNNUPH-IFMALSPDSA-N 2 0 364.537 3.334 20 0 FGADRP CC[NH+]1CCN(CCC[NH2+]Cc2cc(Cl)cc(C(F)(F)F)c2)CC1 ZINC000189040183 496987750 /nfs/dbraw/zinc/98/77/50/496987750.db2.gz HCYMFIBXUFXNFN-UHFFFAOYSA-N 2 0 363.855 3.476 20 0 FGADRP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC000269678367 496988651 /nfs/dbraw/zinc/98/86/51/496988651.db2.gz ZGLMWPORJZTJNM-UTKZUKDTSA-N 2 0 370.541 3.130 20 0 FGADRP CC(C)[N@H+](CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)Cc1ccccc1 ZINC000216447721 496988964 /nfs/dbraw/zinc/98/89/64/496988964.db2.gz UCEPHGUMOHPZDI-NRFANRHFSA-N 2 0 353.510 3.316 20 0 FGADRP C[NH+](C)CCC1CCN(C(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000264842135 496996379 /nfs/dbraw/zinc/99/63/79/496996379.db2.gz AWMKUTFCWAVTCS-OAQYLSRUSA-N 2 0 357.542 3.089 20 0 FGADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@H](C)[C@@H]2CCC[NH+](C3CCC3)C2)C1 ZINC000248407220 496999063 /nfs/dbraw/zinc/99/90/63/496999063.db2.gz UDFWIQALGNLCOQ-CEXWTWQISA-N 2 0 364.578 3.013 20 0 FGADRP C[C@H]1CC[N@H+](CC(=O)NCC2CC[NH+](Cc3ccccc3Cl)CC2)C1 ZINC000572056700 505879648 /nfs/dbraw/zinc/87/96/48/505879648.db2.gz YEYCXNQXGZXORL-INIZCTEOSA-N 2 0 363.933 3.010 20 0 FGADRP FC(F)(F)Oc1cccc(N2CC[C@H]([NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)C2)c1 ZINC000269973190 497034861 /nfs/dbraw/zinc/03/48/61/497034861.db2.gz OUZNOCZXTHIANO-OWCLPIDISA-N 2 0 369.431 3.380 20 0 FGADRP C[NH2+]C[C@@H](C)C(=O)NCc1ccccc1-c1ccc(C[NH+]2CCCC2)cc1 ZINC000578190035 505882586 /nfs/dbraw/zinc/88/25/86/505882586.db2.gz QBGMFRZWKUOKKA-GOSISDBHSA-N 2 0 365.521 3.421 20 0 FGADRP CC[N@H+](C)[C@@H](C(=O)NC[C@H]1CC[NH+](Cc2ccccc2)C1)c1ccccc1 ZINC000248755622 497099063 /nfs/dbraw/zinc/09/90/63/497099063.db2.gz PKMFIHYYVIYGCJ-IFMALSPDSA-N 2 0 365.521 3.318 20 0 FGADRP C[C@]12CCC[N@@H+]1C[C@H](c1noc(-c3ccc(C[NH+]4CCCC4)cc3)n1)OC2 ZINC000578200226 505885167 /nfs/dbraw/zinc/88/51/67/505885167.db2.gz LADQFUNPOAICBC-WIYYLYMNSA-N 2 0 368.481 3.258 20 0 FGADRP CC1CC[NH+](Cc2ccc(CNC(=O)[C@@H](C[NH3+])c3ccccc3)cc2)CC1 ZINC000236634252 497124638 /nfs/dbraw/zinc/12/46/38/497124638.db2.gz SIZGGXUHXAGPPF-QFIPXVFZSA-N 2 0 365.521 3.277 20 0 FGADRP C[NH+](C)C[C@H]1CCN(C(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)C1 ZINC000265510045 497130242 /nfs/dbraw/zinc/13/02/42/497130242.db2.gz QUCPBKBXPZBXON-LJQANCHMSA-N 2 0 358.530 3.130 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)[C@@H]1CC12CC[NH2+]CC2)c1ccccc1Cl ZINC000236828326 497153088 /nfs/dbraw/zinc/15/30/88/497153088.db2.gz KNROYNLPIXKYFO-WMZOPIPTSA-N 2 0 363.933 3.229 20 0 FGADRP CCCC[C@@H](C[NH3+])NC(=O)[C@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000236856355 497158403 /nfs/dbraw/zinc/15/84/03/497158403.db2.gz WVKZYXFXQUMTRK-WMZOPIPTSA-N 2 0 371.447 3.075 20 0 FGADRP CCOc1ccc(C[NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)cc1F ZINC000278591685 497159371 /nfs/dbraw/zinc/15/93/71/497159371.db2.gz ZOAUHBDPAUHNAE-UHFFFAOYSA-N 2 0 372.484 3.471 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)[C@]1(C)CC[NH2+]C1)c1ccc(C(F)(F)F)cc1 ZINC000236887034 497163990 /nfs/dbraw/zinc/16/39/90/497163990.db2.gz PUHSTVBWYQJWEY-SJLPKXTDSA-N 2 0 371.447 3.204 20 0 FGADRP CCOc1ccc(C[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H]2CO)cc1F ZINC000278612405 497167558 /nfs/dbraw/zinc/16/75/58/497167558.db2.gz DALPGHXBJCBSNW-FQEVSTJZSA-N 2 0 372.484 3.471 20 0 FGADRP Cc1nnc(CN[C@H]2[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]2C)n1C1CC1 ZINC000249274522 497185776 /nfs/dbraw/zinc/18/57/76/497185776.db2.gz JRXMEKHMVUTYBC-JIPZTSHUSA-N 2 0 353.514 3.168 20 0 FGADRP CCOc1ccc(C[NH2+]Cc2ccccc2C[N@@H+]2CC[C@H](O)C2)cc1F ZINC000278741860 497205963 /nfs/dbraw/zinc/20/59/63/497205963.db2.gz MNKUZULOZGIQOW-IBGZPJMESA-N 2 0 358.457 3.081 20 0 FGADRP Cc1nccn1-c1ccc([C@H](C)[NH2+]CCCN2CC[NH+](C(C)C)CC2)cc1 ZINC000192789747 497215277 /nfs/dbraw/zinc/21/52/77/497215277.db2.gz WAGUJGNMMJRHTG-IBGZPJMESA-N 2 0 369.557 3.247 20 0 FGADRP CC(C)[NH+]1CCN(C2CC[NH+](CCSc3ccccc3F)CC2)CC1 ZINC000270866843 497218025 /nfs/dbraw/zinc/21/80/25/497218025.db2.gz IQZAIRHHNGZVCZ-UHFFFAOYSA-N 2 0 365.562 3.408 20 0 FGADRP C[NH+](C)C1CCN(c2ccc(NC(=O)C3CC[NH+](C4CC4)CC3)cc2)CC1 ZINC000192806954 497219249 /nfs/dbraw/zinc/21/92/49/497219249.db2.gz HTYLLAPXSSUCHK-UHFFFAOYSA-N 2 0 370.541 3.030 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)C2CC[NH+](Cc3ccccc3)CC2)[C@@H](C)C1 ZINC000266014602 497232043 /nfs/dbraw/zinc/23/20/43/497232043.db2.gz UJSBQLHMCRVREE-RXVVDRJESA-N 2 0 357.542 3.087 20 0 FGADRP COCCOc1ccc(C[NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000192931733 497250408 /nfs/dbraw/zinc/25/04/08/497250408.db2.gz FMGXZZYCTPQNDA-OAQYLSRUSA-N 2 0 354.494 3.324 20 0 FGADRP COCCOc1ccc(C[NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000192931722 497250986 /nfs/dbraw/zinc/25/09/86/497250986.db2.gz FMGXZZYCTPQNDA-NRFANRHFSA-N 2 0 354.494 3.324 20 0 FGADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)[C@@H]2CC23CC[NH2+]CC3)cc1 ZINC000237528021 497251080 /nfs/dbraw/zinc/25/10/80/497251080.db2.gz RTCSPBHOJPFWLJ-PXNSSMCTSA-N 2 0 355.526 3.067 20 0 FGADRP O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1CCC[NH+]1Cc1ccccc1 ZINC000250639308 497267732 /nfs/dbraw/zinc/26/77/32/497267732.db2.gz CKIUYNFUQPOWFU-FCHUYYIVSA-N 2 0 363.505 3.042 20 0 FGADRP O=C(c1ccc(C[NH+]2CCCC2)cc1)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000266163923 497271696 /nfs/dbraw/zinc/27/16/96/497271696.db2.gz PMLSTPGNRIVSEK-HXUWFJFHSA-N 2 0 355.526 3.230 20 0 FGADRP CC[C@]1(CO)CCC[NH+]1Cc1ccccc1C[N@H+]1CCC[C@]1(CC)CO ZINC000252003457 497293746 /nfs/dbraw/zinc/29/37/46/497293746.db2.gz WVEGMRVDPPONDS-FGZHOGPDSA-N 2 0 360.542 3.160 20 0 FGADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000252442258 497299493 /nfs/dbraw/zinc/29/94/93/497299493.db2.gz RRGJICCCLSBMLC-IAGOWNOFSA-N 2 0 364.559 3.059 20 0 FGADRP O=C(NCCC[NH+]1CCCC1)C1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000266329967 497306246 /nfs/dbraw/zinc/30/62/46/497306246.db2.gz GVDHGNCZMHQKOX-UHFFFAOYSA-N 2 0 366.509 3.053 20 0 FGADRP [NH3+][C@@H](CCC(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1)c1ccccc1 ZINC000237938132 497316982 /nfs/dbraw/zinc/31/69/82/497316982.db2.gz PTWZJMKVEQKGBD-LEWJYISDSA-N 2 0 351.494 3.420 20 0 FGADRP Brc1cc2c(c(CN[C@H]3CC[N@@H+]4CCC[C@H]4C3)c1)OCC2 ZINC000252799369 497320404 /nfs/dbraw/zinc/32/04/04/497320404.db2.gz RXPLFNONURLNGA-HOTGVXAUSA-N 2 0 351.288 3.100 20 0 FGADRP C[NH+](C)CCOc1cc(C[NH2+]Cc2cnc(-c3ccco3)s2)ccn1 ZINC000193194374 497322291 /nfs/dbraw/zinc/32/22/91/497322291.db2.gz ICDHZEHPHVMXEL-UHFFFAOYSA-N 2 0 358.467 3.028 20 0 FGADRP O=C(Nc1cccc(C[NH+]2CCSCC2)c1)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000238063103 497335515 /nfs/dbraw/zinc/33/55/15/497335515.db2.gz SYWUPMNQOAXLNG-NEWSRXKRSA-N 2 0 359.539 3.095 20 0 FGADRP O[C@H]1CC[N@H+](Cc2ccccc2C[NH2+][C@@H]2CCCNc3ccccc32)C1 ZINC000193277503 497339543 /nfs/dbraw/zinc/33/95/43/497339543.db2.gz CRVOGKNFAADTKN-SIKLNZKXSA-N 2 0 351.494 3.290 20 0 FGADRP COc1cc(F)c(C[NH2+]Cc2ccc(OCC[NH+](C)C)cc2)cc1OC ZINC000574993973 505900516 /nfs/dbraw/zinc/90/05/16/505900516.db2.gz IVFVLTFLEZQIJT-UHFFFAOYSA-N 2 0 362.445 3.073 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)CC[C@H](C)[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000193305279 497344741 /nfs/dbraw/zinc/34/47/41/497344741.db2.gz FVZTYQAYYQOMFV-BBRMVZONSA-N 2 0 359.436 3.332 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)CC[C@H](C)[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000193305290 497344884 /nfs/dbraw/zinc/34/48/84/497344884.db2.gz FVZTYQAYYQOMFV-XJKSGUPXSA-N 2 0 359.436 3.332 20 0 FGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(O)c(OCC)c2)[C@H](C)C1 ZINC000271455732 497353955 /nfs/dbraw/zinc/35/39/55/497353955.db2.gz JEISOAWYHUSSBI-SJLPKXTDSA-N 2 0 350.503 3.018 20 0 FGADRP C[C@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)c1ccc(-n2cccn2)cc1 ZINC000271459225 497354369 /nfs/dbraw/zinc/35/43/69/497354369.db2.gz HCJSXLZAOUVATK-KRWDZBQOSA-N 2 0 365.481 3.059 20 0 FGADRP C[NH+](C)Cc1ccc(-c2noc([C@@H]3CCC[N@@H+]3C3CCOCC3)n2)cc1 ZINC000275539319 497357971 /nfs/dbraw/zinc/35/79/71/497357971.db2.gz ZVBQPPOILHYVTM-SFHVURJKSA-N 2 0 356.470 3.114 20 0 FGADRP CCN(CCC[NH+]1CCCC1)C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000190121417 497365661 /nfs/dbraw/zinc/36/56/61/497365661.db2.gz UPOUZOQYNDJXQQ-UHFFFAOYSA-N 2 0 372.557 3.300 20 0 FGADRP CCN(CCC[NH+]1CCCC1)C(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000190123914 497366282 /nfs/dbraw/zinc/36/62/82/497366282.db2.gz MHYIIDAISCXULW-OAQYLSRUSA-N 2 0 372.557 3.341 20 0 FGADRP C[NH+](C)CCNC(=O)c1ccc(C[NH2+][C@@H](c2ccc(F)cc2)C2CC2)cc1 ZINC000271686228 497419019 /nfs/dbraw/zinc/41/90/19/497419019.db2.gz JWYOSKCJNWEWHY-OAQYLSRUSA-N 2 0 369.484 3.358 20 0 FGADRP CCc1ccc([C@H]2C[NH2+]CCN2Cc2cn(-c3cc[nH+]cc3)nc2C)cc1 ZINC000261654588 497427700 /nfs/dbraw/zinc/42/77/00/497427700.db2.gz FTGNVSFJDHHHMH-JOCHJYFZSA-N 2 0 361.493 3.285 20 0 FGADRP C[C@@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)N1CC[C@](C)(C[NH3+])C1 ZINC000261800305 497453261 /nfs/dbraw/zinc/45/32/61/497453261.db2.gz VUHZTQRVVTXACS-ZUZCIYMTSA-N 2 0 363.811 3.357 20 0 FGADRP C[N@@H+]1CC[C@H](NC(=O)NC2CC[NH+](C3CCCC3)CC2)[C@H]1c1ccccc1 ZINC000245624610 497479111 /nfs/dbraw/zinc/47/91/11/497479111.db2.gz GETFGFPMCCWDBW-LEWJYISDSA-N 2 0 370.541 3.138 20 0 FGADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000245680738 497499275 /nfs/dbraw/zinc/49/92/75/497499275.db2.gz IUFROUYUABRAKG-YUMYIRISSA-N 3 0 359.558 3.128 20 0 FGADRP CC[C@H](c1ccc(Cl)cc1)[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000262117916 497510457 /nfs/dbraw/zinc/51/04/57/497510457.db2.gz BRWAOLHPEJPGAE-AYOQOUSVSA-N 2 0 363.933 3.371 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)[C@H]([NH3+])Cc2ccccc2)cc1 ZINC000262139299 497514870 /nfs/dbraw/zinc/51/48/70/497514870.db2.gz LQFJOUKNDVQILU-XMSQKQJNSA-N 2 0 365.521 3.247 20 0 FGADRP C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)[C@]23C[NH2+]C[C@@H]2CCCC3)CC1 ZINC000262314307 497538910 /nfs/dbraw/zinc/53/89/10/497538910.db2.gz DENQMDKQRDZIDV-JTHBVZDNSA-N 2 0 369.553 3.137 20 0 FGADRP C[C@@H]([NH2+]CCOCC(F)(F)C(F)F)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000276307498 497541055 /nfs/dbraw/zinc/54/10/55/497541055.db2.gz YCHANNRWTKALRP-GDBMZVCRSA-N 2 0 362.411 3.404 20 0 FGADRP COc1ccc(C[NH+]2CCC(C[NH2+][C@H]3[C@H]4CCO[C@H]4C34CCC4)CC2)cc1 ZINC000194009375 497547148 /nfs/dbraw/zinc/54/71/48/497547148.db2.gz QDVJDEPJDHHTPE-BHIFYINESA-N 2 0 370.537 3.454 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)[C@H]2CC[NH2+][C@@H](C)C2)C1 ZINC000262397690 497549007 /nfs/dbraw/zinc/54/90/07/497549007.db2.gz NPXKDHXMPWMTRP-RDGPPVDQSA-N 2 0 357.542 3.169 20 0 FGADRP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)c1cc(Br)cs1 ZINC000194035830 497554090 /nfs/dbraw/zinc/55/40/90/497554090.db2.gz JPYDWCMIJOTVCO-GXTWGEPZSA-N 2 0 361.349 3.398 20 0 FGADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCC[C@@H]3C[NH+](C)CC[C@@H]32)C1 ZINC000245901599 497564492 /nfs/dbraw/zinc/56/44/92/497564492.db2.gz DSOVUVYXQCGSSL-QRVBRYPASA-N 2 0 364.578 3.013 20 0 FGADRP C[NH+](Cc1ccc(C[N@H+](C)C[C@H]2CCCOC2)cc1)C[C@@H]1CCCOC1 ZINC000245922784 497572322 /nfs/dbraw/zinc/57/23/22/497572322.db2.gz MTWWFCJCTMITPD-SZPZYZBQSA-N 2 0 360.542 3.403 20 0 FGADRP C[NH+](C)CCc1ccccc1NC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000276453230 497577723 /nfs/dbraw/zinc/57/77/23/497577723.db2.gz LXJFZBUIBZDMHA-NHCUHLMSSA-N 2 0 366.509 3.358 20 0 FGADRP CC(C)[NH+]1CCC(NC(=O)N[C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000272265303 497581397 /nfs/dbraw/zinc/58/13/97/497581397.db2.gz NBXLRXBIJGWRGO-UYAOXDASSA-N 2 0 372.557 3.069 20 0 FGADRP CCO[C@@H]1C[C@H]([NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)C12CCCCC2 ZINC000245971088 497587154 /nfs/dbraw/zinc/58/71/54/497587154.db2.gz ZSCLKWUKCNPEOW-JSXRDJHFSA-N 2 0 364.574 3.472 20 0 FGADRP C[C@@H](CC(=O)N[C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C)C1CC[NH2+]CC1 ZINC000262641543 497589718 /nfs/dbraw/zinc/58/97/18/497589718.db2.gz KXIMRWICJQOTDE-PABYOWBDSA-N 2 0 371.569 3.285 20 0 FGADRP C[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)[C@H]([NH3+])c1ccccc1 ZINC000262648877 497590567 /nfs/dbraw/zinc/59/05/67/497590567.db2.gz PSTHZMKRKNKTOS-OSZJIOELSA-N 2 0 365.521 3.492 20 0 FGADRP O=C(NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000262665400 497594064 /nfs/dbraw/zinc/59/40/64/497594064.db2.gz JJGKGOVOHFWPNB-FKSWHDMKSA-N 2 0 367.537 3.219 20 0 FGADRP C[C@H](C(=O)NCC(F)(F)F)N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000246030541 497599902 /nfs/dbraw/zinc/59/99/02/497599902.db2.gz NOIBBHNIMBJWPQ-HUUCEWRRSA-N 2 0 363.468 3.030 20 0 FGADRP CCCCc1nc2cc(NC(=O)[C@@]3([NH3+])C[C@@H](OCC)C3(C)C)ccc2[nH]1 ZINC000262811399 497626042 /nfs/dbraw/zinc/62/60/42/497626042.db2.gz VGMIUSLYHWRZIS-UZLBHIALSA-N 2 0 358.486 3.377 20 0 FGADRP CCCC[N@H+](CC)Cc1cccc(CNC(=O)[C@@H]([NH3+])CCSC)c1 ZINC000272509980 497646960 /nfs/dbraw/zinc/64/69/60/497646960.db2.gz XEKBZFKNRDHHIK-SFHVURJKSA-N 2 0 351.560 3.005 20 0 FGADRP CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1sccc1C[NH+](C)C ZINC000268004762 497657036 /nfs/dbraw/zinc/65/70/36/497657036.db2.gz DZSAHRJFUSMDTE-GOSISDBHSA-N 2 0 371.550 3.404 20 0 FGADRP C[C@@H](C[NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1)c1ccccc1 ZINC000194434072 497665984 /nfs/dbraw/zinc/66/59/84/497665984.db2.gz HHVUCOPQBXTEEM-AVRDEDQJSA-N 2 0 365.521 3.277 20 0 FGADRP [NH3+][C@@H](CC(=O)N(Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2)c1ccccc1 ZINC000262966927 497668273 /nfs/dbraw/zinc/66/82/73/497668273.db2.gz REBSSZFJPNTBRJ-OALUTQOASA-N 2 0 369.534 3.309 20 0 FGADRP CC[NH+](CC)Cc1ccc(C[NH2+]Cc2ccc(N(C)CCOC)nc2)cc1 ZINC000276871833 497675303 /nfs/dbraw/zinc/67/53/03/497675303.db2.gz BATWOTVYMCTOIU-UHFFFAOYSA-N 2 0 370.541 3.296 20 0 FGADRP CCN(Cc1ccccc1)C(=O)[C@H](C)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000246279203 497682965 /nfs/dbraw/zinc/68/29/65/497682965.db2.gz HQWQCWJDXFGRSP-PZJWPPBQSA-N 2 0 357.542 3.374 20 0 FGADRP C[NH+]1CCC(Nc2ccccc2NC(=O)C2CC[NH+](C3CC3)CC2)CC1 ZINC000194528019 497696019 /nfs/dbraw/zinc/69/60/19/497696019.db2.gz JJTMOBARGBFUGH-UHFFFAOYSA-N 2 0 356.514 3.006 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)N[C@H](C)C1=CC[N@H+](C)CC1)c1ccsc1 ZINC000272705719 497708057 /nfs/dbraw/zinc/70/80/57/497708057.db2.gz GMUJLTCWMLYYCA-QAPCUYQASA-N 2 0 364.559 3.081 20 0 FGADRP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+][C@H](C)c2ccc(NS(C)(=O)=O)cc2)C1 ZINC000246384194 497716245 /nfs/dbraw/zinc/71/62/45/497716245.db2.gz KHBHYXKJAJPMFV-SJORKVTESA-N 2 0 367.559 3.077 20 0 FGADRP c1ccc(-c2noc([C@@]34CCC[C@@H]3C[N@@H+](CC[C@@H]3CC[NH2+]C3)C4)n2)cc1 ZINC000581181901 505928317 /nfs/dbraw/zinc/92/83/17/505928317.db2.gz WFNGYWDOSPPZQP-YRISNDGFSA-N 2 0 352.482 3.090 20 0 FGADRP C[C@@H](C(=O)Nc1ccc(OC(F)F)cc1)N1CCC[C@H]([NH+](C)C)CC1 ZINC000277107894 497744226 /nfs/dbraw/zinc/74/42/26/497744226.db2.gz GYYLNZBTSUPLLZ-ZFWWWQNUSA-N 2 0 355.429 3.031 20 0 FGADRP [NH3+]CCOc1ccc(NC(=O)[C@@H]2CCC[N@H+](Cc3cccc(F)c3)C2)cc1 ZINC000263263621 497745024 /nfs/dbraw/zinc/74/50/24/497745024.db2.gz GVKBUPPPUAPQCX-QGZVFWFLSA-N 2 0 371.456 3.014 20 0 FGADRP Cc1ccccc1CN(C)C(=O)[C@H](C)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246481267 497748899 /nfs/dbraw/zinc/74/88/99/497748899.db2.gz GOSHYJHOUWUQSH-RCZSKKKRSA-N 2 0 369.553 3.291 20 0 FGADRP CCCOc1c(C[NH2+]CC2(O)CC[NH+](C(C)C)CC2)cccc1OCC ZINC000268448157 497752891 /nfs/dbraw/zinc/75/28/91/497752891.db2.gz UYWYLKJBEBYFML-UHFFFAOYSA-N 2 0 364.530 3.199 20 0 FGADRP Cc1cc(C)c(NC(=O)CN2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c(C)c1 ZINC000246506752 497757151 /nfs/dbraw/zinc/75/71/51/497757151.db2.gz HZOHTDBJMJRVQM-ICSRJNTNSA-N 2 0 355.526 3.499 20 0 FGADRP CC(C)N(C)c1ccc(C[NH+]2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cn1 ZINC000191280296 497766667 /nfs/dbraw/zinc/76/66/67/497766667.db2.gz MAIOVWYNKCPIGS-KDURUIRLSA-N 2 0 374.573 3.247 20 0 FGADRP CC[N@@H+]1CC[C@H]([NH2+]CCCOC2CC[NH+](Cc3ccccc3)CC2)[C@@H](C)C1 ZINC000246810507 497812736 /nfs/dbraw/zinc/81/27/36/497812736.db2.gz ADTNQFWFJZPMIG-REWPJTCUSA-N 3 0 373.585 3.378 20 0 FGADRP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)C1 ZINC000246841032 497815574 /nfs/dbraw/zinc/81/55/74/497815574.db2.gz BSAURWKHKXRHFG-SLFFLAALSA-N 2 0 364.578 3.157 20 0 FGADRP Cc1ccc(C)c(OC[C@H](O)C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1C ZINC000246873980 497818055 /nfs/dbraw/zinc/81/80/55/497818055.db2.gz QEPAVTBGQSNNJQ-KSEOMHKRSA-N 2 0 372.553 3.300 20 0 FGADRP C[C@@H]1CCc2ccccc2N1C(=O)CN1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246877629 497818236 /nfs/dbraw/zinc/81/82/36/497818236.db2.gz QJRKSHDUODNYSV-LMNJBCLMSA-N 2 0 367.537 3.303 20 0 FGADRP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1)c1ccc(NS(C)(=O)=O)cc1 ZINC000246918933 497820315 /nfs/dbraw/zinc/82/03/15/497820315.db2.gz GPKRMQJBXLKKHC-IAGOWNOFSA-N 2 0 367.559 3.221 20 0 FGADRP C[C@H](C[NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)c1cc(F)cc(F)c1 ZINC000295866463 497835673 /nfs/dbraw/zinc/83/56/73/497835673.db2.gz XDTAJGRUYJBORB-VOBQZIQPSA-N 2 0 352.469 3.426 20 0 FGADRP Cc1cn2c(n1)CC[C@@H]([NH2+][C@H]1C[C@H]3CC[C@@H](C1)[N@H+]3Cc1ccccc1)C2 ZINC000364242261 497858330 /nfs/dbraw/zinc/85/83/30/497858330.db2.gz GNECIWDUYIEPCB-MXEMCNAFSA-N 2 0 350.510 3.292 20 0 FGADRP CC(C)(C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)[C@@H]([NH3+])c1ccccc1 ZINC000569452769 505939424 /nfs/dbraw/zinc/93/94/24/505939424.db2.gz QVPRCIXSNYFZHA-SFTDATJTSA-N 2 0 365.521 3.493 20 0 FGADRP C[C@H](C[NH+]1CCC(C[NH+]2CCN(C)CC2)CC1)c1cc(F)cc(F)c1 ZINC000296009577 497890309 /nfs/dbraw/zinc/89/03/09/497890309.db2.gz LOTAOOVJBKJCCS-MRXNPFEDSA-N 2 0 351.485 3.028 20 0 FGADRP COC(=O)C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CC[N@H+](CCc3ccccc3)C2)[C@@H]1C ZINC000280813127 497907976 /nfs/dbraw/zinc/90/79/76/497907976.db2.gz IHTHUBXBHBAHEC-HZEGPAAWSA-N 2 0 358.526 3.118 20 0 FGADRP C[NH+](C)[C@H]1CCc2cc(NC(=O)N3CCc4ccccc4[C@H]3C[NH3+])ccc21 ZINC000575311800 505958412 /nfs/dbraw/zinc/95/84/12/505958412.db2.gz YTMMPQFEVMUZQT-LEWJYISDSA-N 2 0 364.493 3.326 20 0 FGADRP C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000289074658 498005435 /nfs/dbraw/zinc/00/54/35/498005435.db2.gz NFBYUXARWBNAST-WIYYLYMNSA-N 2 0 370.541 3.051 20 0 FGADRP C[S@](=O)C1(C[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CCC1 ZINC000281219113 498060215 /nfs/dbraw/zinc/06/02/15/498060215.db2.gz ZJXCEPSSBOMVOV-MIOZMULLSA-N 2 0 360.567 3.178 20 0 FGADRP Oc1cccc2c1CCC[C@@H]2[NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000285358775 498062492 /nfs/dbraw/zinc/06/24/92/498062492.db2.gz VOAAOCFEJOJSQH-NQIIRXRSSA-N 2 0 352.478 3.126 20 0 FGADRP Cc1cc(N[C@@H](C)C[NH+]2CCN(C)CC2)c2cc(OC(F)F)ccc2[nH+]1 ZINC000301372592 498078500 /nfs/dbraw/zinc/07/85/00/498078500.db2.gz UOFJVRQSALYXMS-AWEZNQCLSA-N 2 0 364.440 3.192 20 0 FGADRP COCCOCc1ccc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000289262376 498083581 /nfs/dbraw/zinc/08/35/81/498083581.db2.gz MUPIFWMUHCXNFB-IRLDBZIGSA-N 2 0 358.526 3.298 20 0 FGADRP C[NH+](C)CCc1ccc(C(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2)cc1 ZINC000581387008 505976534 /nfs/dbraw/zinc/97/65/34/505976534.db2.gz ZAAOJZUXBRTFOQ-JOCHJYFZSA-N 2 0 365.521 3.185 20 0 FGADRP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000364767643 498134473 /nfs/dbraw/zinc/13/44/73/498134473.db2.gz BOSMWSVQTVGLSK-UIFIKXQLSA-N 2 0 370.541 3.138 20 0 FGADRP OC[C@@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+][C@H](c1cncc(F)c1)C1CC1 ZINC000281424326 498145758 /nfs/dbraw/zinc/14/57/58/498145758.db2.gz BXYQMXXQISXRQW-VXKWHMMOSA-N 2 0 369.484 3.418 20 0 FGADRP CC(C)C[NH+]1CCC([NH2+]C[C@H](O)CO[C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000578640476 505987131 /nfs/dbraw/zinc/98/71/31/505987131.db2.gz XYWRJBAMUGBQBT-JXFKEZNVSA-N 2 0 368.949 3.489 20 0 FGADRP C[C@@H](C(=O)N(C)CCC1CC[NH+](C2CCN(C)CC2)CC1)c1ccccc1 ZINC000364883736 498190490 /nfs/dbraw/zinc/19/04/90/498190490.db2.gz VEPYRRQLCYVDBW-LJQANCHMSA-N 2 0 371.569 3.445 20 0 FGADRP CC1CC[NH+](CCc2cccc(NC(=O)NC[C@H]3CC[N@H+](C)C3)c2)CC1 ZINC000296808722 498204878 /nfs/dbraw/zinc/20/48/78/498204878.db2.gz INWNKTHTUASLAO-LJQANCHMSA-N 2 0 358.530 3.034 20 0 FGADRP C[C@H]([NH2+][C@@H]1C[C@H](CO)c2ccccc21)c1cccc(OCC[NH+](C)C)c1 ZINC000364951858 498224705 /nfs/dbraw/zinc/22/47/05/498224705.db2.gz ICQHARGCDCLQIV-AQOAWAETSA-N 2 0 354.494 3.499 20 0 FGADRP Cc1cc2cc([C@H](C)[NH2+][C@@H]3CCC(=O)N[C@H]3C3CC[NH2+]CC3)oc2cc1C ZINC000569712836 505999593 /nfs/dbraw/zinc/99/95/93/505999593.db2.gz OSZLQXYAEDUEQF-REDKUUPNSA-N 2 0 369.509 3.347 20 0 FGADRP OC1CC[NH+](Cc2ccccc2C[NH2+][C@@H]2CCCC[C@H]2[C@@H]2CCOC2)CC1 ZINC000365063803 498279260 /nfs/dbraw/zinc/27/92/60/498279260.db2.gz BDTQTRCMCLDIAT-AKIFATBCSA-N 2 0 372.553 3.328 20 0 FGADRP C[C@@H]1C[NH+](CCCC[NH2+][C@@H]2CCC(=O)Nc3ccc(F)cc32)C[C@@H](C)O1 ZINC000360696807 498299267 /nfs/dbraw/zinc/29/92/67/498299267.db2.gz FKJIFQMYQZATLC-IIDMSEBBSA-N 2 0 363.477 3.078 20 0 FGADRP C[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)c1nccc2ccccc21 ZINC000289861339 498327756 /nfs/dbraw/zinc/32/77/56/498327756.db2.gz ROOIDUKWMFHLRC-KRWDZBQOSA-N 2 0 361.493 3.232 20 0 FGADRP NC(=O)C1CCC([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)CC1 ZINC000578725709 506006392 /nfs/dbraw/zinc/00/63/92/506006392.db2.gz QUQUNOBIHXVNQA-BFGFKNPTSA-N 2 0 355.526 3.063 20 0 FGADRP COc1c(Br)cccc1C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000578769041 506016859 /nfs/dbraw/zinc/01/68/59/506016859.db2.gz JBJZKIXNBBEBDY-AWEZNQCLSA-N 2 0 353.304 3.279 20 0 FGADRP COc1cc(Br)c(CN2CCC(c3c[nH]cn3)CC2)cc1O ZINC000361071006 498340719 /nfs/dbraw/zinc/34/07/19/498340719.db2.gz ZNTVWBSPTOFOSJ-UHFFFAOYSA-N 2 0 366.259 3.266 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N(C)CCC[NH+]1CCCC1 ZINC000282007353 498354999 /nfs/dbraw/zinc/35/49/99/498354999.db2.gz VRYQNRRKISXXSS-CTNGQTDRSA-N 2 0 372.557 3.024 20 0 FGADRP Fc1ccc(-n2nc(C[N@@H+]3CCC[C@H]([C@H]4CC[NH2+]C4)C3)c3c2CCC3)cc1 ZINC000569811128 506021413 /nfs/dbraw/zinc/02/14/13/506021413.db2.gz LSLWCROXENFFBA-IRXDYDNUSA-N 2 0 368.500 3.322 20 0 FGADRP C[NH+](C)[C@H](CNC(=O)NC[C@H]1CC[C@H](C[NH3+])CC1)c1ccc(Cl)cc1 ZINC000581597458 506024267 /nfs/dbraw/zinc/02/42/67/506024267.db2.gz ROKPBWISBXHXAE-IIDMSEBBSA-N 2 0 366.937 3.007 20 0 FGADRP C[C@H](c1ccc(F)cc1)N1CC[C@H]([NH+]2CCC(CC[NH+](C)C)CC2)C1=O ZINC000293450885 498389233 /nfs/dbraw/zinc/38/92/33/498389233.db2.gz KOTKVCPYEGVEIZ-UZLBHIALSA-N 2 0 361.505 3.151 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000575897662 506028463 /nfs/dbraw/zinc/02/84/63/506028463.db2.gz CQARHLHAXVCNIE-GCJKJVERSA-N 2 0 372.557 3.250 20 0 FGADRP COCC[C@@]1(C(=O)Nc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)CC[NH2+]C1 ZINC000361717339 498423314 /nfs/dbraw/zinc/42/33/14/498423314.db2.gz DEVSWFMLZVSWAI-UTKZUKDTSA-N 2 0 359.514 3.016 20 0 FGADRP C[C@H](CC(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)C1CC[NH2+]CC1 ZINC000361730578 498423751 /nfs/dbraw/zinc/42/37/51/498423751.db2.gz YMYJKHVFOZLKNP-QUCCMNQESA-N 2 0 357.542 3.041 20 0 FGADRP COc1ccc([C@H](C)[NH2+]Cc2ccncc2OCCC[NH+](C)C)cc1F ZINC000290257597 498485573 /nfs/dbraw/zinc/48/55/73/498485573.db2.gz KHQCJAFHRYHUPV-HNNXBMFYSA-N 2 0 361.461 3.411 20 0 FGADRP CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1ccccc1C[NH+](C)C ZINC000365485972 498492533 /nfs/dbraw/zinc/49/25/33/498492533.db2.gz OUKXBEBMJCINDU-HXUWFJFHSA-N 2 0 365.521 3.342 20 0 FGADRP CC[C@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2)[C@H]1CCOC1 ZINC000581681331 506043678 /nfs/dbraw/zinc/04/36/78/506043678.db2.gz KSKPQHNIMRYIBG-FKBYEOEOSA-N 2 0 372.553 3.320 20 0 FGADRP CN(CCC[N@H+](C)Cc1ccco1)C(=O)NCCCCC[NH+]1CCCC1 ZINC000297615300 498512280 /nfs/dbraw/zinc/51/22/80/498512280.db2.gz BGZRDBUHCVKROG-UHFFFAOYSA-N 2 0 364.534 3.009 20 0 FGADRP CCN(CC(=O)Nc1cccc2c1CC[NH2+]C2)Cc1ccccc1Cl ZINC000572759794 506046074 /nfs/dbraw/zinc/04/60/74/506046074.db2.gz QJZCEZBXWJIVAT-UHFFFAOYSA-N 2 0 357.885 3.446 20 0 FGADRP Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)[N@H+](C)CCN1CC[NH2+]CC1 ZINC000578895420 506046352 /nfs/dbraw/zinc/04/63/52/506046352.db2.gz STYQQXZPHHNNFG-QGZVFWFLSA-N 2 0 358.555 3.325 20 0 FGADRP c1nc2cnccn2c1C[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000293868140 498516876 /nfs/dbraw/zinc/51/68/76/498516876.db2.gz ITERVLUHYXUKPE-UHFFFAOYSA-N 2 0 361.493 3.217 20 0 FGADRP COCCC[C@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)c1ccc(F)cc1 ZINC000282473363 498526260 /nfs/dbraw/zinc/52/62/60/498526260.db2.gz WLXMWZQAJXOMHX-UXHICEINSA-N 2 0 352.494 3.120 20 0 FGADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCc1ncc(C2OCCO2)s1 ZINC000290369255 498526538 /nfs/dbraw/zinc/52/65/38/498526538.db2.gz NGAJGWOGELXGFG-DOTOQJQBSA-N 2 0 373.522 3.189 20 0 FGADRP CC(C)[N@H+](C)Cc1cccc(C[NH2+]C2CCC(CS(C)(=O)=O)CC2)c1 ZINC000293898116 498526772 /nfs/dbraw/zinc/52/67/72/498526772.db2.gz WHFKXMKJTWGRTF-UHFFFAOYSA-N 2 0 366.571 3.220 20 0 FGADRP CC(C)[N@@H+](C)C[C@H](C)NC(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC000572775513 506049451 /nfs/dbraw/zinc/04/94/51/506049451.db2.gz NEWAHJBFTLRDPW-XSLAUPDRSA-N 2 0 372.557 3.210 20 0 FGADRP [NH3+]CCC1CC[NH+](Cc2cnn(-c3ccc(Br)cc3)c2)CC1 ZINC000575993066 506051527 /nfs/dbraw/zinc/05/15/27/506051527.db2.gz SZRZBODHHLSMQO-UHFFFAOYSA-N 2 0 363.303 3.196 20 0 FGADRP CC(C)[C@@]1(CO)CC[N@H+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)C1 ZINC000365614362 498559089 /nfs/dbraw/zinc/55/90/89/498559089.db2.gz GJIPEUCAZRJLKQ-QFIPXVFZSA-N 2 0 359.558 3.057 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)c2ccccc2CC2CC[NH2+]CC2)C1 ZINC000581728788 506055022 /nfs/dbraw/zinc/05/50/22/506055022.db2.gz VVQWYEBDHLDFLL-KDURUIRLSA-N 2 0 371.569 3.327 20 0 FGADRP COCCCn1nccc1CNC1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC000282594024 498573575 /nfs/dbraw/zinc/57/35/75/498573575.db2.gz HFXQMZZAXYBQQE-RTBURBONSA-N 2 0 370.541 3.166 20 0 FGADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)NC[C@]2([NH+](C)C)CCC[C@H](C)C2)C1 ZINC000302937368 498630754 /nfs/dbraw/zinc/63/07/54/498630754.db2.gz ASABJMXLXIWZOM-ZVDOUQERSA-N 2 0 366.594 3.308 20 0 FGADRP CC(C)[C@H](C(=O)Nc1cccc(NC(=O)CC[NH+]2CCCCC2)c1)[C@H](C)[NH3+] ZINC000572838671 506065207 /nfs/dbraw/zinc/06/52/07/506065207.db2.gz GWQSFNVIQMCLSP-JXFKEZNVSA-N 2 0 374.529 3.059 20 0 FGADRP [NH3+]Cc1cn([C@H]2CCC[N@H+](Cc3ccc(-c4ccc(Cl)cc4)o3)C2)nn1 ZINC000581773656 506065479 /nfs/dbraw/zinc/06/54/79/506065479.db2.gz KHRQQBAQOLAIOJ-KRWDZBQOSA-N 2 0 371.872 3.487 20 0 FGADRP CN(C(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000287117038 498635094 /nfs/dbraw/zinc/63/50/94/498635094.db2.gz LRPMOMHQKDVHLV-JKWVGCSGSA-N 2 0 370.541 3.090 20 0 FGADRP CC(C)c1ccccc1NC(=O)[C@H](C)[NH+]1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000572859953 506070442 /nfs/dbraw/zinc/07/04/42/506070442.db2.gz VWIBJPAMVWSXTN-LDQXTDLNSA-N 2 0 373.541 3.355 20 0 FGADRP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)C1 ZINC000303346392 498667225 /nfs/dbraw/zinc/66/72/25/498667225.db2.gz ZPWKLOVCMHUCFO-AQNXPRMDSA-N 2 0 364.578 3.014 20 0 FGADRP CCCC[N@H+](C)CC1CC[NH+](CC(=O)NCc2ccc(Cl)cc2)CC1 ZINC000303521615 498687720 /nfs/dbraw/zinc/68/77/20/498687720.db2.gz FGMHZWHKPYQGOE-UHFFFAOYSA-N 2 0 365.949 3.400 20 0 FGADRP CC(C)C[C@@H](NC(=O)C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1)c1ccccc1 ZINC000570045365 506076823 /nfs/dbraw/zinc/07/68/23/506076823.db2.gz BIOBNNRUDGBCRK-LEWJYISDSA-N 2 0 357.542 3.212 20 0 FGADRP C[C@H](C[NH2+]C1CCN(c2cc[nH+]cc2)CC1)N1CCc2ccccc2C1 ZINC000298366408 498746981 /nfs/dbraw/zinc/74/69/81/498746981.db2.gz KITRFMZZWKYUOJ-GOSISDBHSA-N 2 0 350.510 3.087 20 0 FGADRP COc1cc(C[NH2+][C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)cc2c1OCO2 ZINC000312597025 498760798 /nfs/dbraw/zinc/76/07/98/498760798.db2.gz XRGHWPRUDFDJLI-LPHOPBHVSA-N 2 0 368.477 3.424 20 0 FGADRP CC[NH+]1CCN(CCCC[NH2+][C@@H](COC)c2cccc(Cl)c2F)CC1 ZINC000287547721 498793604 /nfs/dbraw/zinc/79/36/04/498793604.db2.gz FMCIAPHLVJSDAK-SFHVURJKSA-N 2 0 371.928 3.174 20 0 FGADRP CCc1cccc(OCC[NH+]2CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)c1 ZINC000576168736 506092411 /nfs/dbraw/zinc/09/24/11/506092411.db2.gz ZLMWZUIXQBFXBC-RTBURBONSA-N 2 0 360.542 3.449 20 0 FGADRP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)[C@H]1CCn2cncc2C1 ZINC000332829060 498807004 /nfs/dbraw/zinc/80/70/04/498807004.db2.gz OQRCKVCXFNDXAJ-ROUUACIJSA-N 2 0 366.509 3.136 20 0 FGADRP Cc1cccc2oc(CC[NH2+][C@@H]3CC[N@@H+](C[C@H]4CCCO4)C[C@H]3C)nc21 ZINC000366209436 498824609 /nfs/dbraw/zinc/82/46/09/498824609.db2.gz KDAILCGKBBPRQE-KZNAEPCWSA-N 2 0 357.498 3.158 20 0 FGADRP COC(=O)c1cc(C[NH2+]Cc2ccccc2C[N@H+](C)C(C)C)n(C)c1C ZINC000291180537 498831909 /nfs/dbraw/zinc/83/19/09/498831909.db2.gz KWLLOBDTKBPGQC-UHFFFAOYSA-N 2 0 357.498 3.250 20 0 FGADRP Cc1cc(Br)cn2c(CNC3C[C@H]4CC[C@@H](C3)[N@H+]4C)cnc12 ZINC000294976348 498867666 /nfs/dbraw/zinc/86/76/66/498867666.db2.gz JKSZTKCAGOOVJU-GOOCMWNKSA-N 2 0 363.303 3.120 20 0 FGADRP C[C@H]([NH2+][C@H]1CCOC2(CCC2)C1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000294990729 498873747 /nfs/dbraw/zinc/87/37/47/498873747.db2.gz HNXPZTBXJUYBLP-WMZOPIPTSA-N 2 0 361.505 3.330 20 0 FGADRP CC[NH+](CC)CCOc1ccc(C[NH2+]Cc2c(C)n[nH]c2C)cc1OC ZINC000298948330 498922996 /nfs/dbraw/zinc/92/29/96/498922996.db2.gz BXXNCYIDDGMUGF-UHFFFAOYSA-N 2 0 360.502 3.046 20 0 FGADRP COc1cc2c(cc1F)[nH+]ccc2N1CCC([N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000366429588 498923845 /nfs/dbraw/zinc/92/38/45/498923845.db2.gz GSOUQRIOKUKHHI-AWEZNQCLSA-N 2 0 359.445 3.072 20 0 FGADRP CC(C)[C@@H]1C[C@H]([NH2+][C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)c2ccccc21 ZINC000333240584 498949450 /nfs/dbraw/zinc/94/94/50/498949450.db2.gz DTDISEBSXTXCQA-IIZPIQPGSA-N 2 0 355.526 3.107 20 0 FGADRP CC(=O)Nc1ccc(C[NH2+]Cc2ccc(OC3CC[NH+](C)CC3)cc2)cc1 ZINC000283804493 498987279 /nfs/dbraw/zinc/98/72/79/498987279.db2.gz AVRXJQIVDHGIPI-UHFFFAOYSA-N 2 0 367.493 3.408 20 0 FGADRP COc1ccc(-c2nc(CN3C[C@@H](C[NH3+])C4(C3)CCOCC4)cs2)cc1 ZINC000573120462 506123265 /nfs/dbraw/zinc/12/32/65/506123265.db2.gz QSYRDMMWSFIBAB-MRXNPFEDSA-N 2 0 373.522 3.006 20 0 FGADRP C[C@H](CNC(=O)c1ccccc1CC1CC[NH2+]CC1)[NH+]1CCC(C)CC1 ZINC000579234924 506126195 /nfs/dbraw/zinc/12/61/95/506126195.db2.gz SDMSZENXKOWXLJ-GOSISDBHSA-N 2 0 357.542 3.079 20 0 FGADRP COc1ccc([C@H](C)C[NH+]2CCC(C)(C[NH+]3CCN(C)CC3)CC2)cc1 ZINC000363887360 499040935 /nfs/dbraw/zinc/04/09/35/499040935.db2.gz KTHANBFZDKBIPD-LJQANCHMSA-N 2 0 359.558 3.148 20 0 FGADRP C[C@@H]([NH2+]Cc1cc(Cl)cc(C[NH2+][C@@H](C)[C@H]2CCOC2)c1)[C@H]1CCOC1 ZINC000295648147 499071241 /nfs/dbraw/zinc/07/12/41/499071241.db2.gz CTUCLKFQWFFCBC-QXGSTGNESA-N 2 0 366.933 3.369 20 0 FGADRP C[C@H]([NH2+]Cc1ccnc(OC(F)F)c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000284309197 499086856 /nfs/dbraw/zinc/08/68/56/499086856.db2.gz JIHNEAKOTLQIIJ-AWEZNQCLSA-N 2 0 365.424 3.474 20 0 FGADRP CCOc1ccccc1NC(=O)[C@@H](C)[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000366868005 499100256 /nfs/dbraw/zinc/10/02/56/499100256.db2.gz KZJOAWGMMOSOKY-QGZVFWFLSA-N 2 0 359.514 3.220 20 0 FGADRP O=S1(=O)CC[C@@H]([NH2+]CCCCC[NH+]2CCCCC2)c2cc(F)ccc21 ZINC000372481750 499132856 /nfs/dbraw/zinc/13/28/56/499132856.db2.gz LFSDGADRWCMARM-GOSISDBHSA-N 2 0 368.518 3.290 20 0 FGADRP C[NH+]1CCC2(CC1)C[C@H]([NH2+][C@H]1Cc3ccccc3[C@H]1O)c1ccccc1O2 ZINC000372533023 499141526 /nfs/dbraw/zinc/14/15/26/499141526.db2.gz SCFUYKJCHCIMPF-JAXLGGSGSA-N 2 0 364.489 3.223 20 0 FGADRP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](CCCCCOc3ccccc3)C2)CC1 ZINC000372685434 499160660 /nfs/dbraw/zinc/16/06/60/499160660.db2.gz UOTOHNFUPFQYJH-OAQYLSRUSA-N 2 0 359.558 3.336 20 0 FGADRP C[N@H+](C[C@@H]1CC12CC[NH+](C[C@H](O)c1ccc(F)cc1F)CC2)C1CC1 ZINC000367209989 499162230 /nfs/dbraw/zinc/16/22/30/499162230.db2.gz YLAALSIWICMWBU-LIRRHRJNSA-N 2 0 350.453 3.195 20 0 FGADRP CCOC1CC(C[N@H+](C)[C@H]2CCC[NH+](CC3CC(OCC)C3)CC2)C1 ZINC000367222551 499163946 /nfs/dbraw/zinc/16/39/46/499163946.db2.gz CVUIZJNKPJHUKR-IOWXEBBTSA-N 2 0 352.563 3.403 20 0 FGADRP CC1CC[NH+](CC2CC[NH+](Cc3cn(C)nc3-c3cccnc3)CC2)CC1 ZINC000367228520 499165180 /nfs/dbraw/zinc/16/51/80/499165180.db2.gz KEOCXHOWOSZCTK-UHFFFAOYSA-N 2 0 367.541 3.426 20 0 FGADRP C[NH+]1CCN(C2(C[NH2+]Cc3cnc(C(C)(C)C)nc3)CCCCCC2)CC1 ZINC000367433211 499198206 /nfs/dbraw/zinc/19/82/06/499198206.db2.gz ZVAINQOWRUBZAI-UHFFFAOYSA-N 2 0 373.589 3.204 20 0 FGADRP COc1c(C)cc(C[NH+]2CCC(N3CC[NH+](C(C)C)CC3)CC2)cc1C ZINC000370339945 499211306 /nfs/dbraw/zinc/21/13/06/499211306.db2.gz JORVTLIALPBHAU-UHFFFAOYSA-N 2 0 359.558 3.302 20 0 FGADRP C[N@@H+]1CC[C@H]([NH2+]Cc2cccc(C(=O)NCc3ccco3)c2)[C@H]2CCC[C@H]21 ZINC000367610073 499217482 /nfs/dbraw/zinc/21/74/82/499217482.db2.gz ZXMGIMBIDNWAHJ-QHAWAJNXSA-N 2 0 367.493 3.172 20 0 FGADRP C[NH+]1CCN(C[C@H]2CCC[N@H+](CCOc3cccc4ccccc43)C2)CC1 ZINC000367675335 499223864 /nfs/dbraw/zinc/22/38/64/499223864.db2.gz ZEMTYSZHTFITOQ-FQEVSTJZSA-N 2 0 367.537 3.178 20 0 FGADRP COC[C@H]([NH2+]CC1CC[NH+](Cc2ccc(C)cc2)CC1)C1CCOCC1 ZINC000370477677 499224127 /nfs/dbraw/zinc/22/41/27/499224127.db2.gz UTXHOXVPQWPUBW-QFIPXVFZSA-N 2 0 360.542 3.238 20 0 FGADRP CC[C@@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccccc1OC(F)F ZINC000370635226 499237980 /nfs/dbraw/zinc/23/79/80/499237980.db2.gz OIERNKGZUXSONS-CRAIPNDOSA-N 2 0 367.484 3.497 20 0 FGADRP Cn1ncc2c1CCC[C@@H]2[NH2+]CC1CC[NH+](CCc2ccccc2)CC1 ZINC000370636723 499238277 /nfs/dbraw/zinc/23/82/77/499238277.db2.gz IXGLVCHTKKUEQM-NRFANRHFSA-N 2 0 352.526 3.342 20 0 FGADRP C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]CCc1cn2c(n1)CCCC2 ZINC000370669911 499242423 /nfs/dbraw/zinc/24/24/23/499242423.db2.gz SMEUEGXOUSSFTP-WIYYLYMNSA-N 2 0 352.526 3.262 20 0 FGADRP CC(C)COc1ccc(CN2CC[C@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)cc1 ZINC000370709524 499246569 /nfs/dbraw/zinc/24/65/69/499246569.db2.gz RMRDSXFOKMTICU-UGKGYDQZSA-N 2 0 359.558 3.179 20 0 FGADRP Cc1nccn1CCCC[N@@H+]1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC000367979691 499251611 /nfs/dbraw/zinc/25/16/11/499251611.db2.gz ZCQGRHVPGXYOMB-MSOLQXFVSA-N 2 0 362.518 3.161 20 0 FGADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H]1CCCOc2c3ccccc3ccc21 ZINC000370753917 499251670 /nfs/dbraw/zinc/25/16/70/499251670.db2.gz NGIZKNRYFPCECJ-DYESRHJHSA-N 2 0 353.510 3.279 20 0 FGADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+][C@H]1CC12CCN(C(=O)OC(C)(C)C)CC2 ZINC000368047326 499259025 /nfs/dbraw/zinc/25/90/25/499259025.db2.gz SWTVTOYOYKBTGY-NCOADZHNSA-N 2 0 351.535 3.094 20 0 FGADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+][C@H]1CC12CCN(C(=O)OC(C)(C)C)CC2 ZINC000368047328 499259157 /nfs/dbraw/zinc/25/91/57/499259157.db2.gz SWTVTOYOYKBTGY-VQHPVUNQSA-N 2 0 351.535 3.094 20 0 FGADRP C[C@H]1C[C@@H](C(=O)N[C@@H]2CCC[C@@H]3C[NH+](Cc4ccccc4)C[C@H]32)CC[N@@H+]1C ZINC000368249527 499278157 /nfs/dbraw/zinc/27/81/57/499278157.db2.gz LYXYONHQONEEAN-XBJCXQGOSA-N 2 0 369.553 3.134 20 0 FGADRP C[C@@H]1C[N@H+](CCCSCc2ccccc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000371301232 499307360 /nfs/dbraw/zinc/30/73/60/499307360.db2.gz DOJPVODPKIBLOU-CTNGQTDRSA-N 2 0 361.599 3.268 20 0 FGADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC2(C[C@H]2c2nnc3n2CCCCC3)CC1 ZINC000371329591 499310502 /nfs/dbraw/zinc/31/05/02/499310502.db2.gz KXWNHJMXSKEQGZ-MSOLQXFVSA-N 2 0 357.546 3.058 20 0 FGADRP C[N@H+](C[C@@H]1CC12CC[NH+](C[C@H]1CN(c3ccccc3)C(=O)O1)CC2)C1CC1 ZINC000371329857 499311337 /nfs/dbraw/zinc/31/13/37/499311337.db2.gz OPRUVDUVMIRKOE-PXNSSMCTSA-N 2 0 369.509 3.208 20 0 FGADRP COc1ccc(C[N@@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)c2ccccc12 ZINC000371332354 499311494 /nfs/dbraw/zinc/31/14/94/499311494.db2.gz ORODBCCWOPNXOY-FQEVSTJZSA-N 2 0 367.537 3.449 20 0 FGADRP CC(C)[NH+]1CCN([C@H]2CC[N@H+](Cc3cccc(OC(F)(F)F)c3)C2)CC1 ZINC000371332097 499311518 /nfs/dbraw/zinc/31/15/18/499311518.db2.gz NCRKKNNYLRYIFR-KRWDZBQOSA-N 2 0 371.447 3.186 20 0 FGADRP CC[NH+]1CCC(CC[NH2+][C@H]2CCN(C(C)=O)Cc3cc(F)ccc32)CC1 ZINC000368637035 499316347 /nfs/dbraw/zinc/31/63/47/499316347.db2.gz UFDTYRGCYHAFDQ-NRFANRHFSA-N 2 0 361.505 3.331 20 0 FGADRP Cc1cc2ncn(C[C@@H](O)C[NH2+]CCC[NH+](C(C)C)C(C)C)c2cc1C ZINC000570323115 506142116 /nfs/dbraw/zinc/14/21/16/506142116.db2.gz SCCZXIUMXKEGJU-IBGZPJMESA-N 2 0 360.546 3.113 20 0 FGADRP C[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CCC[C@H](c4cccnc4)C3)cn2)CC1 ZINC000369113339 499366797 /nfs/dbraw/zinc/36/67/97/499366797.db2.gz RCTRHRLOFVQFJG-PZJWPPBQSA-N 2 0 365.525 3.044 20 0 FGADRP CC(C)[NH+]1CCN(CCC[NH2+][C@H](c2ccccc2)c2ccccn2)CC1 ZINC000369203111 499376789 /nfs/dbraw/zinc/37/67/89/499376789.db2.gz KIDAFXIBSJZEDW-JOCHJYFZSA-N 2 0 352.526 3.177 20 0 FGADRP CCCC(=O)Nc1ccc(C[NH2+][C@@H]2CC[N@H+](C[C@H]3CCCO3)C[C@H]2C)cc1 ZINC000371983842 499386741 /nfs/dbraw/zinc/38/67/41/499386741.db2.gz KFKXQDYSVCITEH-DUXKGJEZSA-N 2 0 373.541 3.404 20 0 FGADRP Cc1ccc(N2CCC(C(=O)N3CCC([N@H+]4CCC[C@H]4C)CC3)CC2)nc1 ZINC000372085007 499397397 /nfs/dbraw/zinc/39/73/97/499397397.db2.gz AOWVCKYVYCRXKG-GOSISDBHSA-N 2 0 370.541 3.082 20 0 FGADRP C[NH+](C)[C@H](Cc1ccccc1)C(=O)NC[C@@H]1CC[N@H+](C)[C@H]1c1cccs1 ZINC000369571210 499420219 /nfs/dbraw/zinc/42/02/19/499420219.db2.gz VRCBMAQBFUGWIE-NLWGTHIKSA-N 2 0 371.550 3.030 20 0 FGADRP C[NH+](C)Cc1ccc(C(=O)N2CC[C@H]([N@H+](C)Cc3ccccc3)C2)cc1 ZINC000369708791 499438155 /nfs/dbraw/zinc/43/81/55/499438155.db2.gz JFCVUFBWEFDEFF-NRFANRHFSA-N 2 0 351.494 3.095 20 0 FGADRP Cc1ccc([C@H]([NH3+])C(=O)NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000369711509 499438358 /nfs/dbraw/zinc/43/83/58/499438358.db2.gz CSYNLJAEDXOSAY-CTNGQTDRSA-N 2 0 351.494 3.023 20 0 FGADRP Cn1ccnc1[C@H]1CCCN(C(=O)c2oc3ccccc3c2C[NH+](C)C)C1 ZINC000373073482 499449868 /nfs/dbraw/zinc/44/98/68/499449868.db2.gz DQVJQTKONGKQCY-HNNXBMFYSA-N 2 0 366.465 3.248 20 0 FGADRP CC(C)[NH+](CCCN[C@H]1CCS(=O)(=O)c2c(F)cccc21)C(C)C ZINC000373447012 499470162 /nfs/dbraw/zinc/47/01/62/499470162.db2.gz AELCOCSZCSRXCG-KRWDZBQOSA-N 2 0 356.507 3.143 20 0 FGADRP CCn1ccnc1[C@H]1CCCCN1C(=O)NC[C@H](C)C[NH+]1CCCCC1 ZINC000373790584 499487990 /nfs/dbraw/zinc/48/79/90/499487990.db2.gz ONWLEHVTOYXTNO-ZWKOTPCHSA-N 2 0 361.534 3.262 20 0 FGADRP CN(CC1(C)CC[NH+](Cc2ccccc2)CC1)C(=O)c1coc(C[NH3+])c1 ZINC000375260589 499500285 /nfs/dbraw/zinc/50/02/85/499500285.db2.gz PEYQYYRYJZETIT-UHFFFAOYSA-N 2 0 355.482 3.113 20 0 FGADRP C(C[NH+]1CCC2(CCOCC2)CC1)C[NH+]1CCC2(CCOCC2)CC1 ZINC000375271556 499501731 /nfs/dbraw/zinc/50/17/31/499501731.db2.gz CZTHLLASDQPEOF-UHFFFAOYSA-N 2 0 350.547 3.162 20 0 FGADRP C[NH+]1CCC2(CCCN2C(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)CC1 ZINC000378338197 499503436 /nfs/dbraw/zinc/50/34/36/499503436.db2.gz XZHWWSMWDUISMT-FQEVSTJZSA-N 2 0 370.541 3.093 20 0 FGADRP Cn1cc2c(n1)CCC[C@@H]2[NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000375310967 499505719 /nfs/dbraw/zinc/50/57/19/499505719.db2.gz SMOWKUNJSSFXQT-FQEVSTJZSA-N 2 0 354.498 3.060 20 0 FGADRP C[C@H]1CN(Cc2cscc2C(F)(F)F)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000576392752 506147752 /nfs/dbraw/zinc/14/77/52/506147752.db2.gz WGSSHRSXXPMVFO-BBRMVZONSA-N 2 0 361.477 3.225 20 0 FGADRP CC(=O)N1CC[C@H]([NH2+]CCN(C)Cc2ccccc2)c2ccccc2C1 ZINC000378492707 499523900 /nfs/dbraw/zinc/52/39/00/499523900.db2.gz HTSINQNBNGUQMI-QFIPXVFZSA-N 2 0 351.494 3.202 20 0 FGADRP CC[NH+](CC)[C@@H]1CCN(C(=O)[C@H]2CCn3c(cnc3C3CCCCC3)C2)C1 ZINC000378513211 499526101 /nfs/dbraw/zinc/52/61/01/499526101.db2.gz CQFBYZREHPVFCM-RBUKOAKNSA-N 2 0 372.557 3.436 20 0 FGADRP COc1ccc(C[NH+]2CCC(C[NH2+][C@@H]3CCCc4nn(C)cc43)CC2)cc1 ZINC000375647772 499540974 /nfs/dbraw/zinc/54/09/74/499540974.db2.gz FZUDXRVYNPICQY-OAQYLSRUSA-N 2 0 368.525 3.308 20 0 FGADRP COc1cc2c(N[C@H]3CCCN(Cc4noc(C)n4)C3)cc[nH+]c2cc1F ZINC000375667711 499543001 /nfs/dbraw/zinc/54/30/01/499543001.db2.gz ZPHSAYLYWJXCEF-ZDUSSCGKSA-N 2 0 371.416 3.150 20 0 FGADRP C[NH2+]CCc1ccccc1C(=O)N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000382750468 499546133 /nfs/dbraw/zinc/54/61/33/499546133.db2.gz ZIPQCGKKFPUQHK-IBGZPJMESA-N 2 0 365.521 3.185 20 0 FGADRP CN1CCC([NH+]2CCC(CC[N@H+](C)CC[C@@H](O)c3ccccc3)CC2)CC1 ZINC000375715139 499548124 /nfs/dbraw/zinc/54/81/24/499548124.db2.gz UWPUFTRMSBXDDS-HSZRJFAPSA-N 2 0 373.585 3.238 20 0 FGADRP COc1cc(C[NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)cc2c1OCO2 ZINC000388495685 499551016 /nfs/dbraw/zinc/55/10/16/499551016.db2.gz FXHRJXXMRQOCRU-QGZVFWFLSA-N 2 0 354.450 3.036 20 0 FGADRP C[N@H+](C[C@@H](O)COc1cc(Cl)ccc1Cl)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000375748893 499551315 /nfs/dbraw/zinc/55/13/15/499551315.db2.gz ASAVHJMDFDTADA-VFSICIBPSA-N 2 0 373.324 3.290 20 0 FGADRP COc1cc(C)nc(CN2C[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)c1 ZINC000389007185 499551747 /nfs/dbraw/zinc/55/17/47/499551747.db2.gz VZLBREKRXCXQEN-UXHICEINSA-N 2 0 351.494 3.353 20 0 FGADRP CCOc1cccc(C[NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)c1 ZINC000397497045 499564398 /nfs/dbraw/zinc/56/43/98/499564398.db2.gz RBVUMRMRECSVLX-UHFFFAOYSA-N 2 0 354.494 3.202 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H](O)COc1ccc(F)cc1 ZINC000397965998 499565788 /nfs/dbraw/zinc/56/57/88/499565788.db2.gz GXUDZLJECPARRU-PIPMEXSNSA-N 2 0 372.484 3.066 20 0 FGADRP O=C(C[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)Nc1ccc(Cl)cc1 ZINC000579342283 506151356 /nfs/dbraw/zinc/15/13/56/506151356.db2.gz BPOKSPUKSNAGSE-FXAWDEMLSA-N 2 0 371.868 3.124 20 0 FGADRP CC(C)[N@@H+]1CCc2nc(CN3CCc4ccccc4[C@H]3CO)sc2C1 ZINC000376339714 499601358 /nfs/dbraw/zinc/60/13/58/499601358.db2.gz IGANCYPJPJTBDN-GOSISDBHSA-N 2 0 357.523 3.001 20 0 FGADRP C[N@H+](C[C@@H](O)Cc1cccc(Cl)c1)C1CCN(Cc2ccncc2)CC1 ZINC000376547371 499617397 /nfs/dbraw/zinc/61/73/97/499617397.db2.gz SUWNQCVJDKFOBM-NRFANRHFSA-N 2 0 373.928 3.235 20 0 FGADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](CCCCC2CCOCC2)CC1 ZINC000410337982 499655695 /nfs/dbraw/zinc/65/56/95/499655695.db2.gz MFOHDTYEOCISRV-BGYRXZFFSA-N 2 0 351.579 3.074 20 0 FGADRP Cn1ccnc1[C@H]1CCCN(Cc2noc(-c3ccc(F)cc3F)n2)C1 ZINC000377265616 499675242 /nfs/dbraw/zinc/67/52/42/499675242.db2.gz GHUULYKVDACYCD-LBPRGKRZSA-N 2 0 359.380 3.128 20 0 FGADRP Cc1nnc([C@H](C)N(C)CCC2CC[NH+](C3CCN(C)CC3)CC2)s1 ZINC000377286042 499676941 /nfs/dbraw/zinc/67/69/41/499676941.db2.gz CWCBUIVAFRZDAO-HNNXBMFYSA-N 3 0 365.591 3.036 20 0 FGADRP COc1ccc(O)cc1[C@H](C)[NH2+][C@H]1CCCN(c2cc(C)nc(C)n2)C1 ZINC000377543827 499702645 /nfs/dbraw/zinc/70/26/45/499702645.db2.gz SLJHHMHPWFQQBE-HOCLYGCPSA-N 2 0 356.470 3.127 20 0 FGADRP O=C(NCC1CC1)[C@H]1CCC[N@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000411179220 499707382 /nfs/dbraw/zinc/70/73/82/499707382.db2.gz ZWMKZNMCARLCES-QFIPXVFZSA-N 2 0 369.553 3.411 20 0 FGADRP C[C@@H](CCc1cccc(F)c1)[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000377708807 499723304 /nfs/dbraw/zinc/72/33/04/499723304.db2.gz YBLIYAZAZJGIQI-HNYYDBCASA-N 2 0 359.533 3.390 20 0 FGADRP CC(CC[NH+]1CCC[C@@H]2COCC[C@@H]21)CC[N@@H+]1CCC[C@@H]2COCC[C@@H]21 ZINC000411315147 499725204 /nfs/dbraw/zinc/72/52/04/499725204.db2.gz HDTRVCCAJIVQNM-CZYKHXBRSA-N 2 0 364.574 3.405 20 0 FGADRP CC(C)[NH+]1CCC(NC(=O)C[NH2+]C(c2ccccc2)c2ccccc2)CC1 ZINC000411319629 499725656 /nfs/dbraw/zinc/72/56/56/499725656.db2.gz FJKLUVSHDWAXLI-UHFFFAOYSA-N 2 0 365.521 3.355 20 0 FGADRP CC(C)[NH+]1CCC(NC(=O)C[NH2+]C(C)(C)c2ccc(Cl)cc2)CC1 ZINC000411369372 499730328 /nfs/dbraw/zinc/73/03/28/499730328.db2.gz YBHASJLGBGLUPK-UHFFFAOYSA-N 2 0 351.922 3.154 20 0 FGADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411401793 499735026 /nfs/dbraw/zinc/73/50/26/499735026.db2.gz RHRMNIVFGULDLB-DNVJHFABSA-N 2 0 371.569 3.356 20 0 FGADRP CN(CC[N@H+](C)Cc1cccc(C[NH+]2CCCCC2)c1)C1CC[NH+](C)CC1 ZINC000411408531 499736074 /nfs/dbraw/zinc/73/60/74/499736074.db2.gz NKGXWVXVQHQYTC-UHFFFAOYSA-N 3 0 372.601 3.130 20 0 FGADRP C[NH+](C)Cc1ccc(C(=O)N2C[C@@H]3C[N@H+](C)[C@H](c4ccccc4)[C@H]3C2)cc1 ZINC000377817993 499738367 /nfs/dbraw/zinc/73/83/67/499738367.db2.gz DIBXQFLCCJGORA-FDFHNCONSA-N 2 0 363.505 3.123 20 0 FGADRP CC(C)[NH+]1CCC(NC(=O)C[NH2+]C(C)(C)c2cccc(Cl)c2)CC1 ZINC000411467551 499744287 /nfs/dbraw/zinc/74/42/87/499744287.db2.gz BFIRKDNXXDBESJ-UHFFFAOYSA-N 2 0 351.922 3.154 20 0 FGADRP C[C@H]1C[C@@H](C(=O)NC[C@H]2CC[NH+](C)[C@H]2c2cccc(Cl)c2)CC[N@@H+]1C ZINC000377928311 499748613 /nfs/dbraw/zinc/74/86/13/499748613.db2.gz XKXRESZPPNNIPM-RMRDIRSESA-N 2 0 363.933 3.179 20 0 FGADRP CCOC(=O)C[C@H]1C[C@H](OC)C[N@@H+]1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411561807 499763310 /nfs/dbraw/zinc/76/33/10/499763310.db2.gz RNAQQPVIHMLLDL-RTWAWAEBSA-N 2 0 374.525 3.215 20 0 FGADRP COCCOc1ccc([C@@H](C)[NH2+]CC[C@H]2CCC[N@H+](C)C2)cc1OC ZINC000414198929 499767732 /nfs/dbraw/zinc/76/77/32/499767732.db2.gz XADVQTYTXACEKI-IAGOWNOFSA-N 2 0 350.503 3.103 20 0 FGADRP C[C@H]1CC[C@@H]([NH2+]CC2(N3CCOCC3)CC[NH+](C)CC2)c2sccc21 ZINC000414207190 499768397 /nfs/dbraw/zinc/76/83/97/499768397.db2.gz ZGUSXKSHCWIFKF-FUHWJXTLSA-N 2 0 363.571 3.073 20 0 FGADRP C[C@H]1C[N@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)CC2(CCOCC2)O1 ZINC000411664448 499774740 /nfs/dbraw/zinc/77/47/40/499774740.db2.gz GDSLEQRCAIQYDA-IBGZPJMESA-N 2 0 358.526 3.442 20 0 FGADRP C[C@H]([NH2+]C[C@@H](CO)c1ccc(F)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000414299576 499775508 /nfs/dbraw/zinc/77/55/08/499775508.db2.gz UHINCXIEHQXSPN-WMQCIHAUSA-N 2 0 356.485 3.402 20 0 FGADRP CC[NH+]1CCC(NC(=O)C[NH2+][C@H]2CC(C)(C)CCc3ccccc32)CC1 ZINC000411697358 499779562 /nfs/dbraw/zinc/77/95/62/499779562.db2.gz SASHNIRUWDJXNN-FQEVSTJZSA-N 2 0 357.542 3.280 20 0 FGADRP CC[NH+]1CCC(NC(=O)C[NH2+][C@@H](c2ccc(F)c(Cl)c2)C2CC2)CC1 ZINC000411784144 499790382 /nfs/dbraw/zinc/79/03/82/499790382.db2.gz INVWVIXFYIMXTL-LJQANCHMSA-N 2 0 367.896 3.120 20 0 FGADRP C[C@H]1C[C@H](C[NH+]2CCC(C(=O)c3c(F)cc(F)cc3F)CC2)CC[NH2+]1 ZINC000414745305 499825814 /nfs/dbraw/zinc/82/58/14/499825814.db2.gz QTONYVDNFISAES-QWHCGFSZSA-N 2 0 354.416 3.387 20 0 FGADRP CC[N@@H+](Cc1ccc(Cl)c(Cl)c1)C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414751630 499826560 /nfs/dbraw/zinc/82/65/60/499826560.db2.gz SUYABTAOVRUITI-CQSZACIVSA-N 2 0 358.313 3.013 20 0 FGADRP COCC[N@@H+](Cc1ccc(Br)s1)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414753803 499826733 /nfs/dbraw/zinc/82/67/33/499826733.db2.gz FEQCWPNSPINWBW-OLZOCXBDSA-N 2 0 361.349 3.347 20 0 FGADRP C[C@H]1c2c(Cl)cc(Cl)cc2CC[N@H+]1C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414760645 499827360 /nfs/dbraw/zinc/82/73/60/499827360.db2.gz YTVDWBWGFPFBDI-QWHCGFSZSA-N 2 0 370.324 3.110 20 0 FGADRP CC[NH+](CC)CCOc1ccccc1NC(=O)NC[C@H]1CCC[C@@H]([NH3+])C1 ZINC000414778180 499830004 /nfs/dbraw/zinc/83/00/04/499830004.db2.gz GMRNTAFSYQVRMT-DLBZAZTESA-N 2 0 362.518 3.046 20 0 FGADRP CC[NH+](CC)CCOc1ccccc1NC(=O)N1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000414776818 499830033 /nfs/dbraw/zinc/83/00/33/499830033.db2.gz DHPAXEAHRTTZLD-SJLPKXTDSA-N 2 0 362.518 3.141 20 0 FGADRP c1ccc(COc2ccccc2C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)nc1 ZINC000414778912 499830205 /nfs/dbraw/zinc/83/02/05/499830205.db2.gz JOFAFAJWUPXKPW-RBUKOAKNSA-N 2 0 351.494 3.482 20 0 FGADRP CN(Cc1cnn(Cc2ccc(C(F)(F)F)cc2)c1)C1(C[NH3+])CCC1 ZINC000414791835 499831740 /nfs/dbraw/zinc/83/17/40/499831740.db2.gz RJQORRWCJCFSIS-UHFFFAOYSA-N 2 0 352.404 3.263 20 0 FGADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)c3cccc(C[NH+]4CCCCC4)c3)CC[C@H]21 ZINC000412188523 499832104 /nfs/dbraw/zinc/83/21/04/499832104.db2.gz BUWCHJMACUUAER-NHCUHLMSSA-N 2 0 355.526 3.229 20 0 FGADRP FC(F)(F)c1ccn(-c2ccc(C[NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)cc2)n1 ZINC000414824442 499834549 /nfs/dbraw/zinc/83/45/49/499834549.db2.gz FUTZBCUFNGWYOH-YIONKMFJSA-N 2 0 350.388 3.264 20 0 FGADRP C[C@@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)[NH2+]CC1([NH3+])CCCCC1 ZINC000414841027 499836497 /nfs/dbraw/zinc/83/64/97/499836497.db2.gz KWRDNCCRSSMYBZ-HNNXBMFYSA-N 2 0 372.513 3.003 20 0 FGADRP C[NH2+]CCC[NH2+][C@@H](C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000414863168 499838880 /nfs/dbraw/zinc/83/88/80/499838880.db2.gz WYRADPSTLCISMJ-JTQLQIEISA-N 2 0 351.800 3.275 20 0 FGADRP FC(F)(F)Oc1ccc(C[NH2+]C[C@@H]2CCC[NH2+]C2)cc1Br ZINC000414859880 499838937 /nfs/dbraw/zinc/83/89/37/499838937.db2.gz UVYVWDWZYPNHAC-LLVKDONJSA-N 2 0 367.209 3.437 20 0 FGADRP C[C@@H](C[NH3+])C[NH2+][C@@H](C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000414882825 499840971 /nfs/dbraw/zinc/84/09/71/499840971.db2.gz UPDOOUHRWNOEEA-UWVGGRQHSA-N 2 0 351.800 3.260 20 0 FGADRP C[C@@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]CC1(C)CC[NH2+]CC1 ZINC000414914258 499844290 /nfs/dbraw/zinc/84/42/90/499844290.db2.gz XSSOECHRUJPKSJ-HNNXBMFYSA-N 2 0 351.922 3.056 20 0 FGADRP C[C@]1(C[NH2+]Cc2cn(-c3ccccc3)nc2-c2cccnc2)CCC[NH2+]C1 ZINC000414920590 499844602 /nfs/dbraw/zinc/84/46/02/499844602.db2.gz ZTKQGMIOFUBXSI-QFIPXVFZSA-N 2 0 361.493 3.414 20 0 FGADRP Cc1cccn2cc(COc3ccc(C[NH2+][C@H]4CC[NH2+]C[C@@H]4C)cc3)nc12 ZINC000414933258 499846195 /nfs/dbraw/zinc/84/61/95/499846195.db2.gz DKLOXMFWVFVFJN-UWJYYQICSA-N 2 0 364.493 3.309 20 0 FGADRP C[C@@H]1C[C@@H]1[N@@H+]1CCN(C(=O)c2cccc(C[NH+]3CCCCC3)c2)C[C@@H](C)C1 ZINC000412358807 499848369 /nfs/dbraw/zinc/84/83/69/499848369.db2.gz JIIMLTXAUOGPLJ-JQVVWYNYSA-N 2 0 369.553 3.475 20 0 FGADRP C[C@H]1C[C@H]1[N@@H+]1CCN(C(=O)c2cccc(C[NH+]3CCCCC3)c2)C[C@@H](C)C1 ZINC000412358803 499848385 /nfs/dbraw/zinc/84/83/85/499848385.db2.gz JIIMLTXAUOGPLJ-CNNODRBYSA-N 2 0 369.553 3.475 20 0 FGADRP COCC1(C[NH2+][C@H](C)CCc2ccc(OC(F)F)cc2)CC[NH2+]CC1 ZINC000414978854 499851039 /nfs/dbraw/zinc/85/10/39/499851039.db2.gz UBQPBGUUFVEHBQ-OAHLLOKOSA-N 2 0 356.457 3.215 20 0 FGADRP COc1ccc(C[NH2+]C[C@H]2CCC[C@@H]([NH3+])C2)cc1OCc1cccnc1 ZINC000415000050 499853408 /nfs/dbraw/zinc/85/34/08/499853408.db2.gz JVEBNOUZWKCVDB-QFBILLFUSA-N 2 0 355.482 3.276 20 0 FGADRP C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000415002459 499853836 /nfs/dbraw/zinc/85/38/36/499853836.db2.gz DONIOZIFDOKWCC-MDASCCDHSA-N 2 0 363.933 3.055 20 0 FGADRP Fc1cccc(Cl)c1CN1CCC([NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)CC1 ZINC000415005396 499854425 /nfs/dbraw/zinc/85/44/25/499854425.db2.gz JGDWVDHDKPWVHE-OXJNMPFZSA-N 2 0 365.924 3.421 20 0 FGADRP CCCOc1c(Br)cc(C[NH2+][C@H]2CC[C@H](C[NH3+])C2)cc1OC ZINC000415038876 499857131 /nfs/dbraw/zinc/85/71/31/499857131.db2.gz NTSFZFVVKKAGPN-JSGCOSHPSA-N 2 0 371.319 3.464 20 0 FGADRP c1sc(C[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)nc1-c1ccccc1 ZINC000415047082 499857920 /nfs/dbraw/zinc/85/79/20/499857920.db2.gz DQHRYHNWHRZZHR-UHFFFAOYSA-N 2 0 356.539 3.116 20 0 FGADRP Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+][C@H]1CC[C@H](C[NH3+])C1 ZINC000415049707 499858098 /nfs/dbraw/zinc/85/80/98/499858098.db2.gz XWUARGXXVPHJPB-BBRMVZONSA-N 2 0 363.303 3.160 20 0 FGADRP C[C@@H](Cc1cccc(C(F)(F)F)c1)[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000415056738 499859008 /nfs/dbraw/zinc/85/90/08/499859008.db2.gz QNGGCVVIJMSVDT-MNNVXMFVSA-N 2 0 369.475 3.442 20 0 FGADRP FC(F)[C@@H](CCc1ccccc1)[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000415056699 499859116 /nfs/dbraw/zinc/85/91/16/499859116.db2.gz QIWNSYKLYFCZDD-CTWPCTMYSA-N 2 0 351.485 3.059 20 0 FGADRP COc1cccc(NC(=O)C[C@@H](C)[NH2+][C@H](CCC[NH3+])c2ccccc2)c1 ZINC000415055838 499859169 /nfs/dbraw/zinc/85/91/69/499859169.db2.gz OYZFVOWOTQCCOJ-OXQOHEQNSA-N 2 0 355.482 3.482 20 0 FGADRP C[C@@H](C[C@H]1CCC[NH2+]1)[NH2+]CCOc1ncc(C(F)(F)F)cc1Cl ZINC000415081560 499861746 /nfs/dbraw/zinc/86/17/46/499861746.db2.gz KVDIAXIAWYGVGN-CMPLNLGQSA-N 2 0 351.800 3.253 20 0 FGADRP CCc1noc(-c2ccc(CC[NH2+][C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)cc2)n1 ZINC000415091430 499862384 /nfs/dbraw/zinc/86/23/84/499862384.db2.gz ZFLCQUAQWYOMOK-QRVBRYPASA-N 2 0 354.498 3.352 20 0 FGADRP Cc1ccc(C[NH+]2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)c(Br)c1 ZINC000415122355 499866421 /nfs/dbraw/zinc/86/64/21/499866421.db2.gz JWKRUAQDJRMEGH-FUHWJXTLSA-N 2 0 367.331 3.476 20 0 FGADRP CCCOc1cc(C[NH+]2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)ccc1OC ZINC000415129393 499867666 /nfs/dbraw/zinc/86/76/66/499867666.db2.gz PIPFELILCXSJHN-WIYYLYMNSA-N 2 0 362.514 3.202 20 0 FGADRP NC1(C[NH2+]C/C=C\c2ccc(F)cc2)CC[NH+](Cc2ccccc2)CC1 ZINC000415135204 499868738 /nfs/dbraw/zinc/86/87/38/499868738.db2.gz PWSVUNDZAFJVJW-DAXSKMNVSA-N 2 0 353.485 3.422 20 0 FGADRP CC(C)Cc1ncc(C[NH2+]CC2(N)CC[NH+](Cc3ccccc3)CC2)s1 ZINC000415135270 499868889 /nfs/dbraw/zinc/86/88/89/499868889.db2.gz QCIVAVQVNGCFFY-UHFFFAOYSA-N 2 0 372.582 3.425 20 0 FGADRP [NH3+][C@H]1CCCO[C@@H]1C1CC[NH+](Cc2cc(Br)cs2)CC1 ZINC000415137790 499869135 /nfs/dbraw/zinc/86/91/35/499869135.db2.gz YLDNXCTZGZKJKH-LSDHHAIUSA-N 2 0 359.333 3.229 20 0 FGADRP C[C@@H](Cc1ccc(F)cc1)[NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1 ZINC000415140281 499869612 /nfs/dbraw/zinc/86/96/12/499869612.db2.gz YKMCAGXBKGYYJO-SFHVURJKSA-N 2 0 355.501 3.340 20 0 FGADRP CCCN(C(=O)Nc1cccc([C@H](C)N2CCOCC2)c1)C1CC[NH2+]CC1 ZINC000415152165 499870971 /nfs/dbraw/zinc/87/09/71/499870971.db2.gz UGAYTNVCNMQECE-KRWDZBQOSA-N 2 0 374.529 3.076 20 0 FGADRP [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000415314621 499885561 /nfs/dbraw/zinc/88/55/61/499885561.db2.gz XXMKRJZZPYQIQI-FXAWDEMLSA-N 2 0 374.529 3.190 20 0 FGADRP C[C@@H](CCC[NH3+])NC(=O)Nc1cc(Cl)ccc1OC1CC[NH+](C)CC1 ZINC000415802713 499919559 /nfs/dbraw/zinc/91/95/59/499919559.db2.gz IQONRQKYLRHGRJ-ZDUSSCGKSA-N 2 0 368.909 3.062 20 0 FGADRP CC[NH2+]Cc1cccc(NC(=O)NCc2ccc(C[NH+](C)C)c(F)c2)c1 ZINC000415912288 499927579 /nfs/dbraw/zinc/92/75/79/499927579.db2.gz LFIABLLXGWSRQY-UHFFFAOYSA-N 2 0 358.461 3.319 20 0 FGADRP CC[NH2+]Cc1ccccc1NC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000415944239 499931411 /nfs/dbraw/zinc/93/14/11/499931411.db2.gz OHJOADFXYIGWKC-LJQANCHMSA-N 2 0 352.482 3.192 20 0 FGADRP CC[C@H](C)[NH2+][C@H](CNC(=O)Nc1ccc2c(c1F)CC[NH2+]C2)c1ccco1 ZINC000415954631 499932984 /nfs/dbraw/zinc/93/29/84/499932984.db2.gz KXIYHIVVAAULAA-SUMWQHHRSA-N 2 0 374.460 3.315 20 0 FGADRP COc1cccc([C@@H](CNC(=O)Nc2ccc(C[NH3+])cc2)[NH+]2CCCC2)c1 ZINC000415953967 499933128 /nfs/dbraw/zinc/93/31/28/499933128.db2.gz HWFFMZKCTKXTNU-HXUWFJFHSA-N 2 0 368.481 3.113 20 0 FGADRP COc1ccc([C@@H](CNC(=O)Nc2ccc(C[NH3+])cc2)[NH+]2CCCC2)cc1 ZINC000415957542 499933240 /nfs/dbraw/zinc/93/32/40/499933240.db2.gz MNTZVUARWURUJJ-HXUWFJFHSA-N 2 0 368.481 3.113 20 0 FGADRP COc1ccc([C@H](CNC(=O)Nc2ccc(C[NH3+])cc2)[NH+]2CCCC2)cc1 ZINC000415957540 499933465 /nfs/dbraw/zinc/93/34/65/499933465.db2.gz MNTZVUARWURUJJ-FQEVSTJZSA-N 2 0 368.481 3.113 20 0 FGADRP CC(C)[NH+](CCN(C)C(=O)Nc1ccc2c(c1F)CC[NH2+]C2)C(C)C ZINC000415971049 499935479 /nfs/dbraw/zinc/93/54/79/499935479.db2.gz JGFKANZVGCYWEI-UHFFFAOYSA-N 2 0 350.482 3.054 20 0 FGADRP OC1(C[NH2+]Cc2cnc(C3CC3)s2)CC[NH+](Cc2ccccc2)CC1 ZINC000573305273 506166853 /nfs/dbraw/zinc/16/68/53/506166853.db2.gz SDSHMNJLOZSNIT-UHFFFAOYSA-N 2 0 357.523 3.137 20 0 FGADRP CCc1ccccc1[C@H]([NH3+])CNC(=O)NCCCC[N@@H+]1CCCC[C@H]1C ZINC000417042695 499956311 /nfs/dbraw/zinc/95/63/11/499956311.db2.gz LXDJICQJOKWKRG-YLJYHZDGSA-N 2 0 360.546 3.203 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N1CCC([C@@H]2[NH2+]CC2(C)C)CC1 ZINC000417047786 499957237 /nfs/dbraw/zinc/95/72/37/499957237.db2.gz QXXJUJYCLUAIPK-MJGOQNOKSA-N 2 0 364.578 3.061 20 0 FGADRP C[C@H]1CCC[N@H+](CCCCNC(=O)N[C@H](CCC[NH3+])c2ccccc2)C1 ZINC000417050944 499957894 /nfs/dbraw/zinc/95/78/94/499957894.db2.gz YKGIFLSYPYWOJZ-AZUAARDMSA-N 2 0 360.546 3.278 20 0 FGADRP C(=C/C[N@@H+]1CCOC[C@@H](C2CCC2)C1)\C[NH+]1CCOC[C@H](C2CCC2)C1 ZINC000429033364 499989496 /nfs/dbraw/zinc/98/94/96/499989496.db2.gz FXGXBHVOWWNDLV-XFDDJKQHSA-N 2 0 362.558 3.040 20 0 FGADRP C[NH2+]CCCC(=O)N1CCC([N@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000570448804 506169661 /nfs/dbraw/zinc/16/96/61/506169661.db2.gz GJGDPMWMQURGSA-UHFFFAOYSA-N 2 0 371.447 3.128 20 0 FGADRP C[C@H]([NH3+])C1CCN(C(=O)NC[C@H](c2ccccc2)[NH+]2CCC(C)CC2)CC1 ZINC000417215829 500007261 /nfs/dbraw/zinc/00/72/61/500007261.db2.gz NXFKSHWQZRAPQL-GHTZIAJQSA-N 2 0 372.557 3.228 20 0 FGADRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N[C@H](CCC[NH3+])c2ccccc2)C1 ZINC000417240876 500015198 /nfs/dbraw/zinc/01/51/98/500015198.db2.gz QDEDDZLHOZIGCI-IEBWSBKVSA-N 2 0 360.546 3.276 20 0 FGADRP CC[NH+]1CCC(N2CCC[N@H+](C/C=C/c3ccc(F)c(F)c3)CC2)CC1 ZINC000421371669 500030350 /nfs/dbraw/zinc/03/03/50/500030350.db2.gz KCWMZCRGGGFGJD-HWKANZROSA-N 2 0 363.496 3.470 20 0 FGADRP CC[C@H]([NH3+])CNC(=O)c1ccc(SCc2cn3ccccc3n2)cc1 ZINC000573322990 506171757 /nfs/dbraw/zinc/17/17/57/506171757.db2.gz PDIKAYVSKJPMAW-HNNXBMFYSA-N 2 0 354.479 3.094 20 0 FGADRP Cc1ccc([C@@H](CNC(=O)N(CCC[NH3+])Cc2ccccc2)[NH+](C)C)cc1 ZINC000417314358 500037099 /nfs/dbraw/zinc/03/70/99/500037099.db2.gz RALCNFVLGXNBME-OAQYLSRUSA-N 2 0 368.525 3.158 20 0 FGADRP C[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)[C@@H]1C[C@H]1c1cccs1 ZINC000417332819 500042016 /nfs/dbraw/zinc/04/20/16/500042016.db2.gz XWCAGLPHCMJWPJ-RYQLBKOJSA-N 2 0 356.539 3.177 20 0 FGADRP Cc1ccc([C@H](CNC(=O)N(C)CC[C@H]([NH3+])C(C)C)[NH+]2CCCC2)cc1 ZINC000417356879 500047566 /nfs/dbraw/zinc/04/75/66/500047566.db2.gz QMOFFSRXEAODEX-PMACEKPBSA-N 2 0 360.546 3.147 20 0 FGADRP CC[NH2+]CC1CCN(C(=O)NC[C@H](c2ccc(C)cc2)[NH+]2CCCC2)CC1 ZINC000417361356 500048984 /nfs/dbraw/zinc/04/89/84/500048984.db2.gz YTLSUQMFAAQWAW-OAQYLSRUSA-N 2 0 372.557 3.163 20 0 FGADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+][C@H]2CCN(CC(F)F)C2)CC1 ZINC000417363192 500049674 /nfs/dbraw/zinc/04/96/74/500049674.db2.gz AOWKXXOCIPTSSQ-XBMUEBEBSA-N 2 0 351.485 3.359 20 0 FGADRP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@@H]2CCN(CC(F)F)C2)CC1 ZINC000417381095 500054087 /nfs/dbraw/zinc/05/40/87/500054087.db2.gz ICBKEICIODECRG-QFBILLFUSA-N 2 0 351.485 3.011 20 0 FGADRP CC(C)n1cncc1C[N@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000425330125 500075867 /nfs/dbraw/zinc/07/58/67/500075867.db2.gz ATMYZLMLDYPMDB-UHFFFAOYSA-N 2 0 361.578 3.092 20 0 FGADRP CCC[NH+](CCC)CCCNC(=O)N1CCCC[C@H]1[C@H]1CCC[NH2+]C1 ZINC000417469829 500082572 /nfs/dbraw/zinc/08/25/72/500082572.db2.gz QWRZKYPONFFQJF-OALUTQOASA-N 2 0 352.567 3.062 20 0 FGADRP CS[C@@H]1CC[C@H]1[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000425375433 500089413 /nfs/dbraw/zinc/08/94/13/500089413.db2.gz ZOLVMHPCFYPRME-VAMGGRTRSA-N 2 0 360.567 3.399 20 0 FGADRP C[NH+](C)[C@H]1CCCN(C[C@@H](O)COc2cc(Cl)ccc2Cl)CC1 ZINC000429541385 500097218 /nfs/dbraw/zinc/09/72/18/500097218.db2.gz OUKANZWKCDBLHP-LSDHHAIUSA-N 2 0 361.313 3.149 20 0 FGADRP CC1(C)CC(NC(=O)N[C@H](C[NH3+])c2ccc3ccccc3c2)CC(C)(C)[NH2+]1 ZINC000416788454 500120902 /nfs/dbraw/zinc/12/09/02/500120902.db2.gz BJMCDZWREDAALA-LJQANCHMSA-N 2 0 368.525 3.448 20 0 FGADRP C[NH+](C)[C@@H](CNC(=O)N[C@H](CCC[NH3+])c1ccccc1)c1ccccc1 ZINC000416808916 500126044 /nfs/dbraw/zinc/12/60/44/500126044.db2.gz PGELXDPLCUDFNL-UXHICEINSA-N 2 0 354.498 3.069 20 0 FGADRP C[NH+](C)[C@H](CNC(=O)N[C@H](CCC[NH3+])c1ccccc1)c1cccc(F)c1 ZINC000416826584 500130647 /nfs/dbraw/zinc/13/06/47/500130647.db2.gz BXRDVRPSGHDOOG-WOJBJXKFSA-N 2 0 372.488 3.208 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N[C@H](C)CCC[NH3+])c1ccccc1Cl ZINC000416827356 500131119 /nfs/dbraw/zinc/13/11/19/500131119.db2.gz CNYHSFXXTPJZRH-RHSMWYFYSA-N 2 0 354.926 3.150 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)N[C@@H](C)CCC[NH3+])c1ccccc1Cl ZINC000416827362 500131336 /nfs/dbraw/zinc/13/13/36/500131336.db2.gz CNYHSFXXTPJZRH-YOEHRIQHSA-N 2 0 354.926 3.150 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)NC[C@H]1CC[C@H](C[NH3+])CC1)c1ccccc1 ZINC000416834023 500133957 /nfs/dbraw/zinc/13/39/57/500133957.db2.gz CYKNCRHVQSFQOU-QWFCFKBJSA-N 2 0 360.546 3.134 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N[C@H]1CC[NH2+][C@H](C)C1)c1ccccc1Cl ZINC000416842884 500136244 /nfs/dbraw/zinc/13/62/44/500136244.db2.gz NUMODRQELUFHPE-RVKKMQEKSA-N 2 0 366.937 3.163 20 0 FGADRP [NH3+]C[C@H](NC(=O)NC[C@H](c1cccs1)[NH+]1CCCC1)C1CCCCC1 ZINC000416847233 500136696 /nfs/dbraw/zinc/13/66/96/500136696.db2.gz VBADFAVWCWBVKP-DLBZAZTESA-N 2 0 364.559 3.092 20 0 FGADRP CCCN(C(=O)NC[C@@H](c1ccc(CC)cc1)[NH+](C)C)C1CC[NH2+]CC1 ZINC000416849595 500137751 /nfs/dbraw/zinc/13/77/51/500137751.db2.gz YFXBHUNVRPWSMQ-FQEVSTJZSA-N 2 0 360.546 3.025 20 0 FGADRP COc1ccc(C[C@H](C)[NH2+]C[C@@H]2CC[N@H+](CCc3ccccc3)C2)cn1 ZINC000414065631 500143021 /nfs/dbraw/zinc/14/30/21/500143021.db2.gz GFHLXSLBXDIQPR-RXVVDRJESA-N 2 0 353.510 3.175 20 0 FGADRP CC[NH+](CC)Cc1ccccc1CNC(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000416891916 500148648 /nfs/dbraw/zinc/14/86/48/500148648.db2.gz NWWIHQSBHNYQAI-PZJWPPBQSA-N 2 0 372.557 3.060 20 0 FGADRP CC[NH+](CC)Cc1ccc(CNC(=O)N(CC[NH3+])Cc2ccccc2)cc1 ZINC000416892836 500149358 /nfs/dbraw/zinc/14/93/58/500149358.db2.gz WPCIBKFXUALHEA-UHFFFAOYSA-N 2 0 368.525 3.199 20 0 FGADRP COc1ccc([C@@H]([NH2+]C[C@@H](C)CN2CC[NH+](C)CC2)C(C)C)c(F)c1 ZINC000421825524 500160580 /nfs/dbraw/zinc/16/05/80/500160580.db2.gz OARNBTCGJLTUJA-UZLBHIALSA-N 2 0 351.510 3.005 20 0 FGADRP CCCN1C[C@H](C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)CC1=O ZINC000421848848 500163015 /nfs/dbraw/zinc/16/30/15/500163015.db2.gz AQEPIGTWLBCWDG-CBPXPLCBSA-N 2 0 369.553 3.278 20 0 FGADRP COC1([C@H](C)[NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)CCOCC1 ZINC000421867963 500166044 /nfs/dbraw/zinc/16/60/44/500166044.db2.gz PTWBJWRMFCWTPW-OYNPSCLESA-N 2 0 358.526 3.071 20 0 FGADRP C[C@@H](CCCC[NH3+])NC(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000416968254 500168650 /nfs/dbraw/zinc/16/86/50/500168650.db2.gz AFDBNEMBYAZRMS-SFHVURJKSA-N 2 0 360.546 3.235 20 0 FGADRP C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)N3CCC[C@H](CC[NH3+])C3)cc2)C1 ZINC000416966706 500168665 /nfs/dbraw/zinc/16/86/65/500168665.db2.gz FXWDTMNHZZHKOV-UYAOXDASSA-N 2 0 372.557 3.189 20 0 FGADRP CC1CC[NH+](Cc2ccc(CNC(=O)NC[C@H]3CCC[C@H]([NH3+])C3)cc2)CC1 ZINC000416973745 500172313 /nfs/dbraw/zinc/17/23/13/500172313.db2.gz KEWMXMGJSKOEFG-SFTDATJTSA-N 2 0 372.557 3.235 20 0 FGADRP C[C@H](CCC[NH3+])NC(=O)NCc1ccc(C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000416984455 500174866 /nfs/dbraw/zinc/17/48/66/500174866.db2.gz HFKQBCIMACPELC-KZNAEPCWSA-N 2 0 360.546 3.091 20 0 FGADRP [NH3+]CCC[C@@H](NC(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1)c1ccccc1 ZINC000417802389 500175139 /nfs/dbraw/zinc/17/51/39/500175139.db2.gz WYAJEGNTWNFPTH-VQTJNVASSA-N 2 0 358.530 3.030 20 0 FGADRP C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)NC3(C)CC[NH2+]CC3)cc2)C1 ZINC000416997753 500179692 /nfs/dbraw/zinc/17/96/92/500179692.db2.gz WBSXEXZBANLAOB-ROUUACIJSA-N 2 0 372.557 3.106 20 0 FGADRP C[C@@H]1C[C@H](NC(=O)NC[C@H]([NH3+])c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000417826282 500179921 /nfs/dbraw/zinc/17/99/21/500179921.db2.gz BZMFAKQSQGUABI-UIFIKXQLSA-N 2 0 366.509 3.039 20 0 FGADRP CC(C)[C@H](CNC(=O)NCc1ccc([C@@H](C)[NH3+])cc1)[NH+]1CCC(C)CC1 ZINC000417009922 500183518 /nfs/dbraw/zinc/18/35/18/500183518.db2.gz OASDTFWZGJZOIG-XLIONFOSSA-N 2 0 360.546 3.262 20 0 FGADRP C[C@H](NC(=O)N[C@@H](C[NH3+])c1ccc2ccccc2c1)C(C)(C)C[NH+](C)C ZINC000417857885 500184907 /nfs/dbraw/zinc/18/49/07/500184907.db2.gz OUZKOOVVEUHGNF-KXBFYZLASA-N 2 0 356.514 3.115 20 0 FGADRP C[C@H]([NH3+])c1ccc(CNC(=O)N[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)cc1 ZINC000417866127 500187012 /nfs/dbraw/zinc/18/70/12/500187012.db2.gz DBTROSUEIZYLEN-XGHQBKJUSA-N 2 0 366.509 3.169 20 0 FGADRP CCCC[N@H+](CC)Cc1cccc(CNC(=O)N2CC[C@H]([C@@H](C)[NH3+])C2)c1 ZINC000417879481 500190225 /nfs/dbraw/zinc/19/02/25/500190225.db2.gz PQEDXZRPCKQVJM-XLIONFOSSA-N 2 0 360.546 3.187 20 0 FGADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]C[C@@H](O)COCc2ccc(Cl)cc2)C1 ZINC000579463574 506181476 /nfs/dbraw/zinc/18/14/76/506181476.db2.gz ZXKCJLAYUOQHHF-UYAOXDASSA-N 2 0 368.949 3.175 20 0 FGADRP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)N[C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000417888218 500192405 /nfs/dbraw/zinc/19/24/05/500192405.db2.gz IRUMWEBWYUWHJB-ARXXEPJESA-N 2 0 372.557 3.054 20 0 FGADRP CCCC[N@H+](CC)Cc1cccc(CNC(=O)N2CC[C@]3(CC[NH2+]C3)C2)c1 ZINC000417887879 500192444 /nfs/dbraw/zinc/19/24/44/500192444.db2.gz WYIOMHMCXKBMCD-QFIPXVFZSA-N 2 0 372.557 3.204 20 0 FGADRP CCCC[N@H+](CC)Cc1cccc(CNC(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000417887146 500192542 /nfs/dbraw/zinc/19/25/42/500192542.db2.gz WRGGXEHGVIIEEP-RTWAWAEBSA-N 2 0 372.557 3.060 20 0 FGADRP CCC[NH+]1CCN(c2ccccc2C[NH2+]C[C@@H]2COc3ccccc32)CC1 ZINC000570504025 506182336 /nfs/dbraw/zinc/18/23/36/506182336.db2.gz QETQZHWVKQITQW-HXUWFJFHSA-N 2 0 365.521 3.484 20 0 FGADRP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]C1 ZINC000417984129 500209313 /nfs/dbraw/zinc/20/93/13/500209313.db2.gz OMGCILFJCWKMGD-HMXCVIKNSA-N 2 0 372.557 3.071 20 0 FGADRP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)NC[C@]1(C)CCC[NH+]1Cc1ccccc1 ZINC000430217720 500210601 /nfs/dbraw/zinc/21/06/01/500210601.db2.gz LGYFTEVWYTUJIX-UNMCSNQZSA-N 2 0 372.557 3.024 20 0 FGADRP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)NCc2ccc(C[NH3+])cc2)CC1 ZINC000579471217 506182929 /nfs/dbraw/zinc/18/29/29/506182929.db2.gz NEAQUHRBCAESLA-KRWDZBQOSA-N 2 0 366.509 3.170 20 0 FGADRP Cc1ccc2cc([C@@H](C)[NH2+][C@@H](CC(C)C)C(=O)NCC[NH+](C)C)oc2c1 ZINC000426018826 500226377 /nfs/dbraw/zinc/22/63/77/500226377.db2.gz QMPBSKBXYKEWRQ-AEFFLSMTSA-N 2 0 359.514 3.484 20 0 FGADRP CCOCCOc1ccc(Br)cc1C[NH2+][C@H](C)C[C@@H](C)[NH3+] ZINC000579473938 506183394 /nfs/dbraw/zinc/18/33/94/506183394.db2.gz UESWVXJGBATPGP-CHWSQXEVSA-N 2 0 359.308 3.080 20 0 FGADRP C[C@@H]([NH3+])c1ccc(CNC(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000418105978 500230328 /nfs/dbraw/zinc/23/03/28/500230328.db2.gz MHMLHOULZMCWSR-XLIONFOSSA-N 2 0 366.509 3.028 20 0 FGADRP C[C@H]([NH3+])[C@H]1CCCN(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)C1 ZINC000418156840 500238880 /nfs/dbraw/zinc/23/88/80/500238880.db2.gz NPJYOHPLXKPHEN-YSIASYRMSA-N 2 0 372.557 3.056 20 0 FGADRP CCC[N@H+](C)[C@H](CNC(=O)N1CC[C@H]([C@@H](C)[NH3+])C1)c1ccc(Cl)cc1 ZINC000418185259 500245018 /nfs/dbraw/zinc/24/50/18/500245018.db2.gz QWTOEIQTTBQELV-UWWQBHOKSA-N 2 0 366.937 3.102 20 0 FGADRP C[NH2+]C[C@@H]1CCCN(C(=O)NC[C@@H](c2ccc(CC(C)C)cc2)[NH+](C)C)C1 ZINC000418190824 500246401 /nfs/dbraw/zinc/24/64/01/500246401.db2.gz JSBWUOOKJVIIKZ-FPOVZHCZSA-N 2 0 374.573 3.129 20 0 FGADRP CC(C)Cc1ccc([C@H](CNC(=O)N2CCC[C@@H](CC[NH3+])C2)[NH+](C)C)cc1 ZINC000418199545 500248290 /nfs/dbraw/zinc/24/82/90/500248290.db2.gz XBLWUISNRNIRDN-FPOVZHCZSA-N 2 0 374.573 3.258 20 0 FGADRP CCc1ccc([C@H](CNC(=O)N[C@@H]2CC[NH2+][C@H](C)C2)[NH+](CC)CC)cc1 ZINC000418218224 500251064 /nfs/dbraw/zinc/25/10/64/500251064.db2.gz QKYFGIZMRXCOSS-AHRSYUTCSA-N 2 0 360.546 3.072 20 0 FGADRP CC[NH+](CC)CCOc1ccccc1NC(=O)[C@H]1C[NH2+]Cc2ccccc21 ZINC000579477863 506184990 /nfs/dbraw/zinc/18/49/90/506184990.db2.gz NBSIEOKZYQRVQX-IBGZPJMESA-N 2 0 367.493 3.233 20 0 FGADRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)NCC1([N@H+](C)Cc2ccccc2)CCC1 ZINC000418251860 500255916 /nfs/dbraw/zinc/25/59/16/500255916.db2.gz XFTJMLSTQASHPM-IBGZPJMESA-N 2 0 360.546 3.056 20 0 FGADRP CC(C)[C@H]([NH3+])CC[N@H+](C)CCC(=O)Nc1ccccc1Br ZINC000430576606 500257128 /nfs/dbraw/zinc/25/71/28/500257128.db2.gz SJBMYPKIKJJGDK-CQSZACIVSA-N 2 0 356.308 3.083 20 0 FGADRP C[N@H+](CCCCNC(=O)N[C@H](C[NH3+])c1ccc2ccccc2c1)C1CC1 ZINC000418271375 500258186 /nfs/dbraw/zinc/25/81/86/500258186.db2.gz SZCUZURUPMZRKK-HXUWFJFHSA-N 2 0 354.498 3.013 20 0 FGADRP CC(C)c1ccc([C@@H]([NH3+])CNC(=O)N(C)[C@@H](C)C2CC[NH+](C)CC2)cc1 ZINC000418322785 500261880 /nfs/dbraw/zinc/26/18/80/500261880.db2.gz FAWCVCAWHCRLAE-JXFKEZNVSA-N 2 0 360.546 3.182 20 0 FGADRP C[NH2+]C[C@@H]1CCC[N@H+](CCC(=O)NC(c2ccccc2)c2ccccc2)C1 ZINC000430627788 500263642 /nfs/dbraw/zinc/26/36/42/500263642.db2.gz NNHAODZQQCBMIV-IBGZPJMESA-N 2 0 365.521 3.214 20 0 FGADRP CC(C)c1ccc([C@H]([NH3+])CNC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)cc1 ZINC000418336720 500264398 /nfs/dbraw/zinc/26/43/98/500264398.db2.gz XHLAFBNXWJNODP-QHAWAJNXSA-N 2 0 372.557 3.467 20 0 FGADRP CCC[C@@H]1CN(C(=O)N[C@@H](C)[C@H]2CCC[NH2+]C2)CC[N@@H+]1Cc1ccccc1 ZINC000418338145 500264824 /nfs/dbraw/zinc/26/48/24/500264824.db2.gz JQBWIWQULIYJMC-SESVDKBCSA-N 2 0 372.557 3.071 20 0 FGADRP C[C@H](NC(=O)N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1)[C@H]1CCC[NH2+]C1 ZINC000418340398 500264923 /nfs/dbraw/zinc/26/49/23/500264923.db2.gz LHGXVSJSUHVAIU-HBFSDRIKSA-N 2 0 364.578 3.061 20 0 FGADRP CC(C)c1ccc([C@@H]([NH3+])CNC(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)cc1 ZINC000418347591 500265830 /nfs/dbraw/zinc/26/58/30/500265830.db2.gz IOCVLFDHMLUDAX-RTWAWAEBSA-N 2 0 372.557 3.470 20 0 FGADRP CC(C)c1ccc([C@H]([NH3+])CNC(=O)N2CC[C@H]([NH+]3CCCC3)[C@H]2C)cc1 ZINC000418345513 500266130 /nfs/dbraw/zinc/26/61/30/500266130.db2.gz HIRLBFSNCUSQEO-AHRSYUTCSA-N 2 0 358.530 3.078 20 0 FGADRP CCC[NH+]1CCC(N(C)C(=O)NC[C@H]([NH3+])c2ccc(C(C)C)cc2)CC1 ZINC000418355122 500267716 /nfs/dbraw/zinc/26/77/16/500267716.db2.gz PBHNSCNIJARNMK-FQEVSTJZSA-N 2 0 360.546 3.326 20 0 FGADRP CC(C)c1ccc([C@H]([NH3+])CNC(=O)N2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)cc1 ZINC000418363378 500268518 /nfs/dbraw/zinc/26/85/18/500268518.db2.gz VRBICVMYJLCZDV-FFZOFVMBSA-N 2 0 358.530 3.078 20 0 FGADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)c2ccc3c(ccn3CCC[NH3+])c2)C1 ZINC000430684730 500269910 /nfs/dbraw/zinc/26/99/10/500269910.db2.gz OGGWOGDYGWQZTQ-GOSISDBHSA-N 2 0 370.541 3.232 20 0 FGADRP CCN(C(=O)NC1CCC([NH3+])CC1)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000418377339 500270075 /nfs/dbraw/zinc/27/00/75/500270075.db2.gz BGWCNPDOYVPSCI-SGZDXZSOSA-N 2 0 358.530 3.123 20 0 FGADRP C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000418406811 500272809 /nfs/dbraw/zinc/27/28/09/500272809.db2.gz CKDQAWJQUBIWCD-IBGZPJMESA-N 2 0 374.916 3.113 20 0 FGADRP C[N@H+](CCN(Cc1ccccc1)C(=O)NCC(C)(C)[NH3+])Cc1ccccc1 ZINC000418424329 500275003 /nfs/dbraw/zinc/27/50/03/500275003.db2.gz GVCVETUCHQGRDX-UHFFFAOYSA-N 2 0 368.525 3.068 20 0 FGADRP CCN(C(=O)N[C@H](C[NH3+])CC(C)C)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000418425232 500275047 /nfs/dbraw/zinc/27/50/47/500275047.db2.gz JEWQVWHNYQHHAO-YSIASYRMSA-N 2 0 360.546 3.227 20 0 FGADRP CCC([NH3+])(CC)CNC(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000418429679 500275354 /nfs/dbraw/zinc/27/53/54/500275354.db2.gz SKCHWUYXZIAPKZ-OAQYLSRUSA-N 2 0 372.557 3.202 20 0 FGADRP CCN(C(=O)NCC([NH3+])(CC)CC)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000418431392 500275977 /nfs/dbraw/zinc/27/59/77/500275977.db2.gz WZGCWQIYWNABDM-PKOBYXMFSA-N 2 0 360.546 3.371 20 0 FGADRP CC[NH+](CC)CCN(Cc1cccs1)C(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000418439115 500276706 /nfs/dbraw/zinc/27/67/06/500276706.db2.gz XZHBBPWQPUMBOJ-AEFFLSMTSA-N 2 0 366.575 3.119 20 0 FGADRP C[C@H]([NH3+])c1ccc(CNC(=O)N(CC[NH+](C)C)CC2CCCCC2)cc1 ZINC000418454095 500278314 /nfs/dbraw/zinc/27/83/14/500278314.db2.gz BQHHYLNIJHLFAT-KRWDZBQOSA-N 2 0 360.546 3.360 20 0 FGADRP C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)[C@H](C[NH3+])c2ccccc2)C1 ZINC000430749418 500279194 /nfs/dbraw/zinc/27/91/94/500279194.db2.gz JNOALMZWHSKYBZ-XMSQKQJNSA-N 2 0 365.521 3.277 20 0 FGADRP C[C@H]([NH3+])c1ccc(CNC(=O)N(CC[NH+](C)C)Cc2cccc(F)c2)cc1 ZINC000418459879 500279680 /nfs/dbraw/zinc/27/96/80/500279680.db2.gz JHRYCKJDKNLBGD-INIZCTEOSA-N 2 0 372.488 3.119 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@H](C[NH3+])c2ccc3ccccc3c2)C[C@@H]1C ZINC000418482517 500281894 /nfs/dbraw/zinc/28/18/94/500281894.db2.gz FBTWXGLEMKFHDN-ORYQWCPZSA-N 2 0 368.525 3.354 20 0 FGADRP [NH3+]C[C@H](NC(=O)NC[C@@H]1[NH2+]CCc2ccccc21)c1ccc2ccccc2c1 ZINC000418497881 500284479 /nfs/dbraw/zinc/28/44/79/500284479.db2.gz IUORSRQUTJDLML-VXKWHMMOSA-N 2 0 374.488 3.026 20 0 FGADRP C[NH+](C)CC[C@H](NC(=O)c1ccc2c(ccn2CCC[NH3+])c1)C(C)(C)C ZINC000430802888 500287201 /nfs/dbraw/zinc/28/72/01/500287201.db2.gz PDGGBHURJPHIMU-IBGZPJMESA-N 2 0 358.530 3.086 20 0 FGADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]CCSCCOc1cccc(Br)c1 ZINC000422704325 500288054 /nfs/dbraw/zinc/28/80/54/500288054.db2.gz KJHVUYVLJREENO-CJNGLKHVSA-N 2 0 373.360 3.278 20 0 FGADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCN(c2ccccc2Br)C1 ZINC000422711474 500288433 /nfs/dbraw/zinc/28/84/33/500288433.db2.gz MSMIXQCURJUGGK-DZKIICNBSA-N 2 0 352.320 3.135 20 0 FGADRP c1csc([C@H](C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)N2CCOCC2)c1 ZINC000422741891 500292868 /nfs/dbraw/zinc/29/28/68/500292868.db2.gz FLHLEBVMXOTFGN-MKXGPGLRSA-N 2 0 363.571 3.022 20 0 FGADRP C[NH+](C)[C@@H](CNC(=O)c1ccc2c(ccn2CCC[NH3+])c1)c1ccccc1 ZINC000430849923 500296084 /nfs/dbraw/zinc/29/60/84/500296084.db2.gz ITLGOECBGWDUGW-NRFANRHFSA-N 2 0 364.493 3.023 20 0 FGADRP C[C@@H](CCC[NH3+])[NH2+][C@H](c1ccc(F)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000422788823 500297155 /nfs/dbraw/zinc/29/71/55/500297155.db2.gz NMQUQHSIDYZOJW-IFXJQAMLSA-N 2 0 364.486 3.036 20 0 FGADRP Cc1ccc([C@H](C[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)N(C)C)cc1 ZINC000422786360 500297381 /nfs/dbraw/zinc/29/73/81/500297381.db2.gz QGXPQEIJDMTEHV-FUPPJEDESA-N 2 0 365.521 3.443 20 0 FGADRP CCOC(=O)C1([C@H](C)[NH2+]C[C@H]2CCCC[C@H]2C(F)(F)F)CC[NH2+]CC1 ZINC000422817772 500301865 /nfs/dbraw/zinc/30/18/65/500301865.db2.gz IJGBRMDQNFHNBR-RRFJBIMHSA-N 2 0 364.452 3.266 20 0 FGADRP [NH3+][C@H]1CCCCC[C@H]1[NH2+]CCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000422817991 500302003 /nfs/dbraw/zinc/30/20/03/500302003.db2.gz JBMWALVUYQLAEJ-FCHUYYIVSA-N 3 0 359.558 3.307 20 0 FGADRP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CC(C)(C)c1ccc2c(c1)OCCO2 ZINC000422818719 500302079 /nfs/dbraw/zinc/30/20/79/500302079.db2.gz GYVIXNHFHYRHJO-VQIMIIECSA-N 2 0 354.494 3.284 20 0 FGADRP FC(F)Oc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000422832158 500303176 /nfs/dbraw/zinc/30/31/76/500303176.db2.gz URRWQEZVASIQGL-AKHDSKFASA-N 2 0 366.452 3.412 20 0 FGADRP CCOc1c(OC)cc(C[NH2+][C@H](C)c2ccc(C[NH3+])nc2C)cc1OC ZINC000422840182 500304114 /nfs/dbraw/zinc/30/41/14/500304114.db2.gz SFMWNTKCUYQKOD-CYBMUJFWSA-N 2 0 359.470 3.115 20 0 FGADRP C[NH+](C)CCN(Cc1ccsc1)C(=O)N[C@@H](CCC[NH3+])c1ccccc1 ZINC000418673183 500305672 /nfs/dbraw/zinc/30/56/72/500305672.db2.gz NHGAIPFNUQYCBH-IBGZPJMESA-N 2 0 374.554 3.302 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(C[NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000422860230 500306678 /nfs/dbraw/zinc/30/66/78/500306678.db2.gz LCQSXZKTWRXPQW-TWHAJKEOSA-N 3 0 371.569 3.308 20 0 FGADRP C[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)N1CCN(c2ccccc2)CC1 ZINC000422866105 500307124 /nfs/dbraw/zinc/30/71/24/500307124.db2.gz PUQGUCNCEHROKY-CWKRKGSWSA-N 2 0 370.585 3.098 20 0 FGADRP C[C@H]([NH3+])[C@H]1CCC[N@H+](CCC(=O)NC(c2ccccc2)c2ccccc2)C1 ZINC000430924800 500307799 /nfs/dbraw/zinc/30/77/99/500307799.db2.gz JOBYCVKQWRLZGF-RXVVDRJESA-N 2 0 365.521 3.342 20 0 FGADRP C[C@H](O)C[C@H](C[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ccccc1 ZINC000422872250 500308101 /nfs/dbraw/zinc/30/81/01/500308101.db2.gz GGUUEGVULHTXSX-ICGULJKJSA-N 2 0 366.505 3.387 20 0 FGADRP C[NH2+]CC1CC[NH+]([C@H](C)C(=O)NC(c2ccccc2)c2ccccc2)CC1 ZINC000430926603 500308332 /nfs/dbraw/zinc/30/83/32/500308332.db2.gz OOPYQNNGIFJRRY-GOSISDBHSA-N 2 0 365.521 3.212 20 0 FGADRP CCOC(=O)C1([C@H](C)[NH2+][C@H](C)c2cccc(N3CCCC3)c2)CC[NH2+]CC1 ZINC000422875274 500308553 /nfs/dbraw/zinc/30/85/53/500308553.db2.gz OTSSMJNYZOFJGQ-MSOLQXFVSA-N 2 0 373.541 3.259 20 0 FGADRP C[C@@H]([NH3+])C1CC[NH+](CC(=O)N[C@@H](c2cccs2)c2ccccc2)CC1 ZINC000430931030 500309291 /nfs/dbraw/zinc/30/92/91/500309291.db2.gz CCBTVDMPCSWNIS-FOIQADDNSA-N 2 0 357.523 3.013 20 0 FGADRP C[C@@H]([NH3+])C1CC[NH+]([C@H](C)C(=O)N[C@@H](C)c2ccc3ccccc3c2)CC1 ZINC000430935194 500309892 /nfs/dbraw/zinc/30/98/92/500309892.db2.gz PGRPCQCLUUGNRZ-IXDOHACOSA-N 2 0 353.510 3.465 20 0 FGADRP COC[C@H](CCC[NH3+])[NH2+][C@H](c1nc2ccccc2n1C)c1ccccc1 ZINC000422885906 500310878 /nfs/dbraw/zinc/31/08/78/500310878.db2.gz ZKSKOMOUVDIUDH-PXNSSMCTSA-N 2 0 352.482 3.006 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2C[NH2+][C@@H](C2CC2)[C@H]2CNCCO2)C1 ZINC000422887304 500311117 /nfs/dbraw/zinc/31/11/17/500311117.db2.gz AZAUFJDTTVGARK-FKKSXTGDSA-N 2 0 371.569 3.021 20 0 FGADRP COC1CC[NH+](C2(CN[C@H](C)C[C@H]3CCCCC[NH2+]3)CCCC2)CC1 ZINC000422891684 500311633 /nfs/dbraw/zinc/31/16/33/500311633.db2.gz VYPQKNLNKQCHJA-RTBURBONSA-N 2 0 351.579 3.310 20 0 FGADRP COc1ccc(Cl)cc1N1CC[C@H]([NH2+][C@H](Cc2ccccc2)[C@@H](C)[NH3+])C1 ZINC000422901374 500313967 /nfs/dbraw/zinc/31/39/67/500313967.db2.gz BWVIADMYUZTGDJ-AYOQOUSVSA-N 2 0 373.928 3.475 20 0 FGADRP COC[C@@H](CCC[NH3+])[NH2+]C[C@@H]1CCCCN1Cc1cccc(Cl)c1 ZINC000422909225 500315491 /nfs/dbraw/zinc/31/54/91/500315491.db2.gz NQRRHQZOIPMKKB-MOPGFXCFSA-N 2 0 353.938 3.038 20 0 FGADRP C[C@@H](C[C@H]1CCCCC[NH2+]1)Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1 ZINC000422916526 500316072 /nfs/dbraw/zinc/31/60/72/500316072.db2.gz DJQJYNJRJCFZNJ-FXAWDEMLSA-N 2 0 372.557 3.107 20 0 FGADRP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000426769644 500318085 /nfs/dbraw/zinc/31/80/85/500318085.db2.gz KRXBXKRMJWRBJX-NRSPTQNISA-N 2 0 369.553 3.278 20 0 FGADRP CCOC(=O)C1([C@@H](C)[NH2+]CCc2cccc(Cl)c2Cl)CC[NH2+]CC1 ZINC000422938141 500319829 /nfs/dbraw/zinc/31/98/29/500319829.db2.gz GNXLVYRAUKOPCW-CYBMUJFWSA-N 2 0 373.324 3.447 20 0 FGADRP COc1ccccc1SC[C@H](C)C[NH2+][C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC000422940569 500320551 /nfs/dbraw/zinc/32/05/51/500320551.db2.gz HBRYPOXSICGMPO-XMTFNYHQSA-N 2 0 364.555 3.170 20 0 FGADRP COc1cccc(CCC[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000422947716 500321769 /nfs/dbraw/zinc/32/17/69/500321769.db2.gz RAZQIJGZDDGXEU-IFMALSPDSA-N 2 0 352.478 3.473 20 0 FGADRP C[C@H]([NH2+]C[C@@H]1CCN(c2ccc(Br)cc2)C1)[C@@H]1CCCC[NH2+]1 ZINC000422949887 500322570 /nfs/dbraw/zinc/32/25/70/500322570.db2.gz UWGCSIAVELIDRO-MPGHIAIKSA-N 2 0 366.347 3.396 20 0 FGADRP COC[C@@H](CCC[NH3+])[NH2+]C[C@@H](C)Sc1ccc(Br)cc1 ZINC000422953526 500323274 /nfs/dbraw/zinc/32/32/74/500323274.db2.gz FUMFANACFVQLBB-TZMCWYRMSA-N 2 0 361.349 3.273 20 0 FGADRP Cc1ccc(Br)cc1NC(=O)CC[NH2+][C@H]1CCCCC[C@H]1[NH3+] ZINC000422953137 500323556 /nfs/dbraw/zinc/32/35/56/500323556.db2.gz DITZNYDYYPAEKB-CABCVRRESA-N 2 0 368.319 3.336 20 0 FGADRP C[C@H](C[C@H]1COCCN1)[NH2+]Cc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000422964281 500324683 /nfs/dbraw/zinc/32/46/83/500324683.db2.gz IDQKPOKTBGKRGZ-GCJKJVERSA-N 2 0 367.537 3.272 20 0 FGADRP O=C(C[NH+]1CCC2(CC[NH2+]C2)CC1)N[C@H](c1ccccc1)C1CCCC1 ZINC000431032011 500325786 /nfs/dbraw/zinc/32/57/86/500325786.db2.gz GTWXNVRLOMHMER-OAQYLSRUSA-N 2 0 355.526 3.110 20 0 FGADRP C[NH2+]C[C@H](C)C(=O)N(CC[N@H+](C)Cc1ccccc1)Cc1ccccc1 ZINC000431030886 500325803 /nfs/dbraw/zinc/32/58/03/500325803.db2.gz SNDFZFPMVSEUBZ-IBGZPJMESA-N 2 0 353.510 3.003 20 0 FGADRP COc1ccc(C[NH+]2CCC3(CC[NH2+]C3)CC2)c(Br)c1OC ZINC000431034498 500326545 /nfs/dbraw/zinc/32/65/45/500326545.db2.gz XCGLVMBHITZCJV-UHFFFAOYSA-N 2 0 369.303 3.042 20 0 FGADRP C[C@@H](NC(=O)[C@H](C)[NH+]1CCC2(CC[NH2+]C2)CC1)c1cc2ccccc2o1 ZINC000431040497 500327001 /nfs/dbraw/zinc/32/70/01/500327001.db2.gz MZBIIJGYBDMROB-CVEARBPZSA-N 2 0 355.482 3.074 20 0 FGADRP OC[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)Cc1ccc(C(F)(F)F)cc1 ZINC000422994733 500328425 /nfs/dbraw/zinc/32/84/25/500328425.db2.gz VZPGVRHGNUOOOU-DSLXNQLJSA-N 2 0 370.459 3.367 20 0 FGADRP [NH3+][C@@H]1CCCCCC[C@H]1C(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000431058217 500329586 /nfs/dbraw/zinc/32/95/86/500329586.db2.gz RMQOVOUDRSXPIR-BHIYHBOVSA-N 2 0 363.571 3.374 20 0 FGADRP c1ccc2c(c1)O[C@@]1(CC[NH2+]C1)C[C@@H]2[NH2+]Cc1ccnc(OC2CCC2)c1 ZINC000423008456 500330504 /nfs/dbraw/zinc/33/05/04/500330504.db2.gz AJBVHROCHHWUPB-UGKGYDQZSA-N 2 0 365.477 3.358 20 0 FGADRP [NH3+][C@H]1CCCCCC[C@@H]1C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000431068633 500331033 /nfs/dbraw/zinc/33/10/33/500331033.db2.gz ZCFTVGGKZBTVRO-OALUTQOASA-N 2 0 363.571 3.374 20 0 FGADRP COC[C@@H](CCC[NH3+])[NH2+]Cc1ccc(Br)cc1C(F)(F)F ZINC000423031564 500333310 /nfs/dbraw/zinc/33/33/10/500333310.db2.gz XCZKWLVUROJHGE-GFCCVEGCSA-N 2 0 369.225 3.311 20 0 FGADRP Cc1cc(Br)cn2cc(CC[NH2+][C@H]3CCCC[C@H]3C[NH3+])nc12 ZINC000423035419 500333347 /nfs/dbraw/zinc/33/33/47/500333347.db2.gz JKIFVSLJRVDURN-BBRMVZONSA-N 2 0 365.319 3.055 20 0 FGADRP COCC[C@H](Cc1ccco1)[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423035520 500333995 /nfs/dbraw/zinc/33/39/95/500333995.db2.gz RRKJQOIZOMNAOZ-OZOXKJRCSA-N 2 0 356.466 3.073 20 0 FGADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CCc1ccc(OCC(F)(F)F)nc1 ZINC000423044832 500334549 /nfs/dbraw/zinc/33/45/49/500334549.db2.gz BFJSPPOVQFBVIE-LBPRGKRZSA-N 2 0 368.403 3.078 20 0 FGADRP COC[C@H](CCC[NH3+])[NH2+][C@H](c1cc(F)cc(Br)c1)C1CC1 ZINC000423046055 500335353 /nfs/dbraw/zinc/33/53/53/500335353.db2.gz CZIZSIDFJOWYKL-HOTGVXAUSA-N 2 0 359.283 3.383 20 0 FGADRP CC1(C)[C@H]([NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)C[C@@H]1OCc1ccccc1 ZINC000423053647 500336230 /nfs/dbraw/zinc/33/62/30/500336230.db2.gz SDTAEUNGBGMTJJ-XNTOXWQXSA-N 2 0 358.526 3.117 20 0 FGADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000423083419 500339780 /nfs/dbraw/zinc/33/97/80/500339780.db2.gz GAGIVXUMKTUGFK-QKHJWGRCSA-N 2 0 369.475 3.340 20 0 FGADRP COC(=O)c1csc(-c2cccc(C[NH2+][C@H]3CCCC[C@@H]3C[NH3+])c2)n1 ZINC000423080919 500339983 /nfs/dbraw/zinc/33/99/83/500339983.db2.gz UAHIBGCPTYOQED-CVEARBPZSA-N 2 0 359.495 3.204 20 0 FGADRP COc1cc(OC)c(C[C@H](C)[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)c(OC)c1 ZINC000423162174 500349771 /nfs/dbraw/zinc/34/97/71/500349771.db2.gz SWTWTFKMBQMNPY-FASAQXTFSA-N 2 0 356.466 3.378 20 0 FGADRP Cc1c(Br)cccc1C[C@@H](CO)C[NH2+]C1CCC(C[NH3+])CC1 ZINC000423167063 500350438 /nfs/dbraw/zinc/35/04/38/500350438.db2.gz WDXRIRHQUACXJC-ISXOHVOVSA-N 2 0 369.347 3.016 20 0 FGADRP COc1ccc([C@@H](CCn2cncn2)[NH2+]CC2([NH3+])CCCCCC2)cc1 ZINC000423199101 500353922 /nfs/dbraw/zinc/35/39/22/500353922.db2.gz JAJBJOLXECNUEA-LJQANCHMSA-N 2 0 357.502 3.059 20 0 FGADRP C[C@@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1ccc(F)c(I)c1 ZINC000423206524 500354703 /nfs/dbraw/zinc/35/47/03/500354703.db2.gz GAMKNUFXNHFZKB-GHMZBOCLSA-N 2 0 362.230 3.081 20 0 FGADRP Cc1ccc([C@H]([NH2+]CC[C@@H]2CC[NH2+]C2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000423242982 500357835 /nfs/dbraw/zinc/35/78/35/500357835.db2.gz FYRKWSQBTFVOOP-UWJYYQICSA-N 2 0 372.534 3.077 20 0 FGADRP CCC([NH3+])(CC)C[NH2+][C@H]1CCCC[C@H](N2C(=O)c3ccccc3C2=O)C1 ZINC000423281574 500361244 /nfs/dbraw/zinc/36/12/44/500361244.db2.gz BNVROAHQQMZUAB-HOTGVXAUSA-N 2 0 357.498 3.091 20 0 FGADRP CS(=O)(=O)c1cccc([C@H]([NH2+]CCCC[NH3+])c2ccc(Cl)cc2)c1 ZINC000423319962 500364053 /nfs/dbraw/zinc/36/40/53/500364053.db2.gz FUOKNUDVTOHAKO-GOSISDBHSA-N 2 0 366.914 3.161 20 0 FGADRP CC(C)[C@H](C(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1)[C@H](C)[NH3+] ZINC000423339743 500365115 /nfs/dbraw/zinc/36/51/15/500365115.db2.gz WVOCHXHVXSBATB-WBAXXEDZSA-N 2 0 351.922 3.213 20 0 FGADRP COc1ccc(Cc2nc(C)c([C@H](C)[NH2+]CCCC[NH3+])s2)cc1OC ZINC000423339975 500365593 /nfs/dbraw/zinc/36/55/93/500365593.db2.gz SGMDRHXEADKTJH-ZDUSSCGKSA-N 2 0 363.527 3.449 20 0 FGADRP COC[C@@]1(CN[C@H]2CCCc3cc(Br)ccc32)CCC[NH2+]1 ZINC000423409947 500371609 /nfs/dbraw/zinc/37/16/09/500371609.db2.gz CNCRRPKWWHJBPK-IRXDYDNUSA-N 2 0 353.304 3.185 20 0 FGADRP COCC1(C[NH2+][C@@H]2CCc3c2cc(Br)cc3F)CC[NH2+]CC1 ZINC000423409100 500371931 /nfs/dbraw/zinc/37/19/31/500371931.db2.gz PMAJHPHQZZLKFA-MRXNPFEDSA-N 2 0 371.294 3.181 20 0 FGADRP COC[C@]1(C[NH2+][C@@H](Cc2ccccc2Br)C2CC2)CCC[NH2+]1 ZINC000423418517 500373185 /nfs/dbraw/zinc/37/31/85/500373185.db2.gz USMHSVOHJOIEET-ZWKOTPCHSA-N 2 0 367.331 3.128 20 0 FGADRP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH2+][C@@H]4C[C@H]4C4CC[NH2+]CC4)[C@@H]3C2)cc1 ZINC000423421786 500373728 /nfs/dbraw/zinc/37/37/28/500373728.db2.gz BAUAEZGUJKIVAE-USWKJHDZSA-N 3 0 353.554 3.265 20 0 FGADRP CCSc1ccc([C@H](C)[NH2+][C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)cc1 ZINC000423460316 500376146 /nfs/dbraw/zinc/37/61/46/500376146.db2.gz RVRFKYULKCUMNU-QMIHWGKISA-N 2 0 361.555 3.096 20 0 FGADRP C[C@H]([NH2+]C[C@H]1CCC[C@@H]([NH3+])C1)c1ccc(I)cc1 ZINC000423462439 500376654 /nfs/dbraw/zinc/37/66/54/500376654.db2.gz PGLGXQHYGHYISP-SLEUVZQESA-N 2 0 358.267 3.459 20 0 FGADRP O=C(C[C@H]1CCC[NH2+]CC1)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000427280825 500377470 /nfs/dbraw/zinc/37/74/70/500377470.db2.gz MBVOKLJTQYYCFB-IBGZPJMESA-N 2 0 357.542 3.459 20 0 FGADRP CN1CC[NH2+]C[C@@H]1CN[C@@H](c1ccc(Br)cc1Cl)C1CC1 ZINC000423486301 500378218 /nfs/dbraw/zinc/37/82/18/500378218.db2.gz BINNEVVEBQHATG-CZUORRHYSA-N 2 0 372.738 3.047 20 0 FGADRP O=C(C[C@H]1CCC[NH2+]CC1)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000427329006 500382342 /nfs/dbraw/zinc/38/23/42/500382342.db2.gz JISXIOMXWXTAHE-QFBILLFUSA-N 2 0 363.933 3.373 20 0 FGADRP NC1(C[NH2+][C@@H]2CCc3cc(F)ccc32)CC[NH+](Cc2ccccc2)CC1 ZINC000423552536 500384146 /nfs/dbraw/zinc/38/41/46/500384146.db2.gz GNEWFWKHIQWRHH-OAQYLSRUSA-N 2 0 353.485 3.396 20 0 FGADRP C[C@H]([NH2+]CCC[NH2+]C1CC1)c1ccc(F)c(I)c1 ZINC000423563808 500384894 /nfs/dbraw/zinc/38/48/94/500384894.db2.gz RLAVJXVFLGSGJP-JTQLQIEISA-N 2 0 362.230 3.223 20 0 FGADRP Cc1c([C@@H](C)[NH2+]CC2(N)CC[NH+](Cc3ccccc3)CC2)cnn1C(C)C ZINC000423573579 500386430 /nfs/dbraw/zinc/38/64/30/500386430.db2.gz OVRWTBAMGYAEFG-GOSISDBHSA-N 2 0 369.557 3.417 20 0 FGADRP [NH3+]CCC1CCN(CC(=O)Nc2ccccc2Cc2ccccc2)CC1 ZINC000576589654 506193765 /nfs/dbraw/zinc/19/37/65/506193765.db2.gz AXMNZVOXRCVSIN-UHFFFAOYSA-N 2 0 351.494 3.277 20 0 FGADRP CC(C)[NH+]1CCN(c2cccc(NC(=O)[C@H]3CCCC[C@@]3(C)[NH3+])c2)CC1 ZINC000423854880 500412687 /nfs/dbraw/zinc/41/26/87/500412687.db2.gz WDTDDUOEBPDCRD-TZIWHRDSSA-N 2 0 358.530 3.063 20 0 FGADRP C[C@]1(C(=O)N2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)CCCC[NH2+]1 ZINC000423856584 500413203 /nfs/dbraw/zinc/41/32/03/500413203.db2.gz XBPDSJSFMXMMBY-OAQYLSRUSA-N 2 0 355.526 3.033 20 0 FGADRP C[N@@H+]1CCCC[C@H]1CCC(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000431782770 500424430 /nfs/dbraw/zinc/42/44/30/500424430.db2.gz FNQKMHSAIUCVLB-SFHVURJKSA-N 2 0 363.571 3.341 20 0 FGADRP C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)CC[C@H]1CCCC[NH+]1C ZINC000431796901 500425989 /nfs/dbraw/zinc/42/59/89/500425989.db2.gz VPCPAMDMUSYFLB-PZJWPPBQSA-N 2 0 357.542 3.374 20 0 FGADRP CC[C@@H](C(=O)Nc1ncc(C2CC[NH2+]CC2)s1)[N@H+](C)Cc1ccccc1 ZINC000423969038 500426359 /nfs/dbraw/zinc/42/63/59/500426359.db2.gz LBLDKPBVKGSTDC-KRWDZBQOSA-N 2 0 372.538 3.459 20 0 FGADRP C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)[C@@H]([NH3+])CC(F)F)cc1 ZINC000582357831 506194884 /nfs/dbraw/zinc/19/48/84/506194884.db2.gz QMROUYWMIANXFB-SFHVURJKSA-N 2 0 361.436 3.014 20 0 FGADRP CN(Cc1ccccc1C(F)(F)F)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420301278 500436978 /nfs/dbraw/zinc/43/69/78/500436978.db2.gz IPVQEYQCORIMGR-ROUUACIJSA-N 2 0 352.400 3.068 20 0 FGADRP O=C(Nc1ccc(F)c(Cl)c1)C1CC[NH+](CC[C@H]2CC[NH2+]C2)CC1 ZINC000420311877 500439346 /nfs/dbraw/zinc/43/93/46/500439346.db2.gz WEYOCTGCSLBBTN-CYBMUJFWSA-N 2 0 353.869 3.129 20 0 FGADRP COc1ccc([C@H](C[NH3+])C[N@@H+](Cc2ccccc2)C[C@@H]2CCCO2)cc1 ZINC000420323896 500441521 /nfs/dbraw/zinc/44/15/21/500441521.db2.gz UOSQXGXLYAYHCZ-IRLDBZIGSA-N 2 0 354.494 3.419 20 0 FGADRP O=C1[C@H]([NH+]2CCC([C@H]3CCC[NH2+]3)CC2)CCN1c1ccc(F)c(Cl)c1 ZINC000420330341 500442467 /nfs/dbraw/zinc/44/24/67/500442467.db2.gz BASNNFHLQJQHCW-QZTJIDSGSA-N 2 0 365.880 3.048 20 0 FGADRP O=C1[C@H]([NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)CCN1c1ccc(F)c(Cl)c1 ZINC000420330345 500442791 /nfs/dbraw/zinc/44/27/91/500442791.db2.gz BASNNFHLQJQHCW-ZWKOTPCHSA-N 2 0 365.880 3.048 20 0 FGADRP [NH3+]C[C@H]1C[N@H+](CCOc2cc(Cl)ccc2Cl)CC12CCOCC2 ZINC000420332546 500443072 /nfs/dbraw/zinc/44/30/72/500443072.db2.gz RVSHZWGKIWFOMC-ZDUSSCGKSA-N 2 0 359.297 3.060 20 0 FGADRP C[C@@H](c1cc2ccccc2o1)N(C)C(=O)C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000420334203 500443133 /nfs/dbraw/zinc/44/31/33/500443133.db2.gz IVXIGSSLUQEHCG-LPHOPBHVSA-N 2 0 369.509 3.416 20 0 FGADRP [NH3+]C[C@@H]1C[N@H+](CCOc2ccc(Cl)cc2Cl)CC12CCOCC2 ZINC000420336544 500444228 /nfs/dbraw/zinc/44/42/28/500444228.db2.gz VUXHIVCYUMVWJA-CYBMUJFWSA-N 2 0 359.297 3.060 20 0 FGADRP [NH3+][C@H]1CCCO[C@H]1C1CC[NH+](CCOc2ccc(F)cc2Cl)CC1 ZINC000420376586 500450522 /nfs/dbraw/zinc/45/05/22/500450522.db2.gz JZAZABGHDZSLHB-WMZOPIPTSA-N 2 0 356.869 3.076 20 0 FGADRP COc1ccc([C@H](C[NH3+])C[NH2+][C@@H]2CCO[C@@H]2c2ccc(F)c(F)c2)cc1 ZINC000420414059 500457486 /nfs/dbraw/zinc/45/74/86/500457486.db2.gz UFYTZMNLDXOYLD-CDHQVMDDSA-N 2 0 362.420 3.136 20 0 FGADRP COc1ccc(C[NH+]2CCC(C[NH2+]Cc3cncn3C(C)C)CC2)cc1 ZINC000424161848 500461940 /nfs/dbraw/zinc/46/19/40/500461940.db2.gz WEUVTRPZMNVFTN-UHFFFAOYSA-N 2 0 356.514 3.474 20 0 FGADRP C[C@@H]1CC2(C[N@@H+]1CCOc1ccc(Br)cc1)CC[NH2+]CC2 ZINC000424301908 500483776 /nfs/dbraw/zinc/48/37/76/500483776.db2.gz YFZWZFRCXOIELZ-CQSZACIVSA-N 2 0 353.304 3.292 20 0 FGADRP C[C@H]1CC2(C[N@@H+]1Cc1ccccc1N(C)C1CC[NH+](C)CC1)CC[NH2+]CC2 ZINC000424371674 500493075 /nfs/dbraw/zinc/49/30/75/500493075.db2.gz DXYSZXUNPCBDQJ-IBGZPJMESA-N 3 0 370.585 3.181 20 0 FGADRP CC(C)c1nnc(CN2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)[nH]1 ZINC000428305364 500493500 /nfs/dbraw/zinc/49/35/00/500493500.db2.gz KCQCCESMQZUIPR-UHFFFAOYSA-N 2 0 353.514 3.416 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N(C)C[C@@H]2CCC[NH+]2C)cc1 ZINC000420776444 500497910 /nfs/dbraw/zinc/49/79/10/500497910.db2.gz FTBMQRJJZKXFQJ-NQIIRXRSSA-N 2 0 372.557 3.297 20 0 FGADRP Cc1cc(C[NH3+])cc(NC(=O)N2CC[N@H+](Cc3ccccc3)C[C@H](C)C2)c1 ZINC000424412427 500500178 /nfs/dbraw/zinc/50/01/78/500500178.db2.gz ANNNJOFMTBQIQG-SFHVURJKSA-N 2 0 366.509 3.440 20 0 FGADRP C[NH+](C)C1CCC(NC(=O)NC[C@H]2CCC[N@@H+]2CC2CCCCC2)CC1 ZINC000420790132 500502078 /nfs/dbraw/zinc/50/20/78/500502078.db2.gz NBKPVVYWHXQIHE-SOAGJPPSSA-N 2 0 364.578 3.203 20 0 FGADRP Cc1cc(C[NH3+])cc(NC(=O)N[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000424427514 500503189 /nfs/dbraw/zinc/50/31/89/500503189.db2.gz PRRUDEXAORDZES-UZLBHIALSA-N 2 0 352.482 3.096 20 0 FGADRP CN(C/C=C\c1ccc(F)cc1)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000428432756 500509368 /nfs/dbraw/zinc/50/93/68/500509368.db2.gz RAUWEEFKDIHQDS-HUPBUCHYSA-N 2 0 354.469 3.408 20 0 FGADRP C[C@@H](NC(=O)NC1CCC([NH+](C)C)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000420827062 500510539 /nfs/dbraw/zinc/51/05/39/500510539.db2.gz RARHVCPLTBZCON-GJHJYOIJSA-N 2 0 372.557 3.069 20 0 FGADRP c1ccc(C[N@H+]2C[C@@H]3CCCC[C@H]([NH2+]CCCO[C@H]4CCOC4)[C@@H]3C2)cc1 ZINC000428473237 500514984 /nfs/dbraw/zinc/51/49/84/500514984.db2.gz LWRWZPVTGBAXNI-GPJHCHHRSA-N 2 0 372.553 3.462 20 0 FGADRP C[C@@H]1CN(C(=O)NC2CCC([NH+](C)C)CC2)[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC000420898588 500525610 /nfs/dbraw/zinc/52/56/10/500525610.db2.gz ZIYJFRANRTWNAY-BDWAOYLISA-N 2 0 372.557 3.164 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)[C@H](C)CN1C(=O)NC1CCC([NH+](C)C)CC1 ZINC000420898592 500525654 /nfs/dbraw/zinc/52/56/54/500525654.db2.gz ZIYJFRANRTWNAY-IGBVOLGGSA-N 2 0 372.557 3.164 20 0 FGADRP C[C@@H]([NH2+]Cc1ccc(CN2CCOCC2)cc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000420931231 500534629 /nfs/dbraw/zinc/53/46/29/500534629.db2.gz GISJMXCDEKONEP-KNQAVFIVSA-N 2 0 371.569 3.261 20 0 FGADRP CC[N@H+](C)C[C@H]1CCN(C(=O)NCC[NH+]2CCC3(CCCCC3)CC2)C1 ZINC000442594250 500602562 /nfs/dbraw/zinc/60/25/62/500602562.db2.gz LQQQQIJKNQMIMQ-LJQANCHMSA-N 2 0 364.578 3.016 20 0 FGADRP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)NCC[NH+]1CCC2(CCCCC2)CC1 ZINC000442604695 500604132 /nfs/dbraw/zinc/60/41/32/500604132.db2.gz XMNFEINKOQGKMN-LJQANCHMSA-N 2 0 364.578 3.016 20 0 FGADRP CCc1ccc([C@@H](CNC(=O)c2sccc2C[NH+](C)C)[NH+](C)C)cc1 ZINC000447429381 500605183 /nfs/dbraw/zinc/60/51/83/500605183.db2.gz XUBXQOFNCWFDGE-GOSISDBHSA-N 2 0 359.539 3.405 20 0 FGADRP C[C@@H]([NH2+]Cc1cccc(N2CCC2=O)c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000442815839 500630309 /nfs/dbraw/zinc/63/03/09/500630309.db2.gz WPHYMQAHYBLXKA-QGZVFWFLSA-N 2 0 367.493 3.215 20 0 FGADRP C[NH+](C)CCOCC[NH2+][C@@H]1CCSc2ccc(Br)cc21 ZINC000447593751 500631368 /nfs/dbraw/zinc/63/13/68/500631368.db2.gz URNDHWZIOHFORO-CQSZACIVSA-N 2 0 359.333 3.154 20 0 FGADRP Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)[NH2+]CCOCC[NH+](C)C ZINC000447600875 500632112 /nfs/dbraw/zinc/63/21/12/500632112.db2.gz NIPQMXWAYRIQDU-CYBMUJFWSA-N 2 0 351.491 3.486 20 0 FGADRP [NH3+]C1CC[NH+](CCCC(=O)Nc2ccc(OC(F)F)c(Cl)c2)CC1 ZINC000433129974 500632153 /nfs/dbraw/zinc/63/21/53/500632153.db2.gz PXMLMCVDLVDXAE-UHFFFAOYSA-N 2 0 361.820 3.083 20 0 FGADRP CC[C@H](NC(=O)CCC[NH+]1CCC([NH3+])CC1)c1ccccc1OC(F)F ZINC000433145782 500634515 /nfs/dbraw/zinc/63/45/15/500634515.db2.gz RVCMDQDRPBARQK-INIZCTEOSA-N 2 0 369.456 3.059 20 0 FGADRP [NH3+]C1CC[NH+](CCCC(=O)N2CC3(CCCC3)c3c2cccc3F)CC1 ZINC000433145507 500634522 /nfs/dbraw/zinc/63/45/22/500634522.db2.gz QQDJBZWIVRZTCF-UHFFFAOYSA-N 2 0 359.489 3.187 20 0 FGADRP [NH3+]C1CC[NH+](CCCC(=O)Nc2ccc(Oc3ccncc3)cc2)CC1 ZINC000433151119 500635154 /nfs/dbraw/zinc/63/51/54/500635154.db2.gz HQHYYQVXYOCOBL-UHFFFAOYSA-N 2 0 354.454 3.016 20 0 FGADRP C[N@@H+]1CCN(CC[NH2+][C@H]2CCCOc3c(Cl)cccc32)CC1(C)C ZINC000442890594 500642122 /nfs/dbraw/zinc/64/21/22/500642122.db2.gz PDMZESIJNNVQAO-KRWDZBQOSA-N 2 0 351.922 3.169 20 0 FGADRP [NH3+]CC[C@H]1CCC[N@H+](Cc2cn(-c3ccccc3)nc2-c2cccnc2)C1 ZINC000442926088 500648218 /nfs/dbraw/zinc/64/82/18/500648218.db2.gz XQPDYCLRAAUYNH-GOSISDBHSA-N 2 0 361.493 3.495 20 0 FGADRP C[NH+](C)CC1CCC(NC(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)CC1 ZINC000437540734 500658285 /nfs/dbraw/zinc/65/82/85/500658285.db2.gz WEQKPLMVLQITRO-QLOJAFMTSA-N 2 0 364.578 3.203 20 0 FGADRP C[C@H](C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2)[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443054786 500669626 /nfs/dbraw/zinc/66/96/26/500669626.db2.gz AEJUAKIJNCFECX-RCCFBDPRSA-N 2 0 357.542 3.192 20 0 FGADRP C[C@@H](NC(=O)C[N@@H+]1CCC[C@H](CC[NH3+])C1)c1ccc(Cl)c(Cl)c1 ZINC000443079431 500676326 /nfs/dbraw/zinc/67/63/26/500676326.db2.gz ZMWRCDKEIHYBCM-CHWSQXEVSA-N 2 0 358.313 3.231 20 0 FGADRP c1ccc(COc2ccc(C[N@@H+]3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)cc2)nc1 ZINC000573564646 506212405 /nfs/dbraw/zinc/21/24/05/506212405.db2.gz HRVNAXHTILREGU-VQTJNVASSA-N 2 0 351.494 3.482 20 0 FGADRP Cn1c2ccc(C(F)(F)F)cc2nc1CN1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000573564218 506212451 /nfs/dbraw/zinc/21/24/51/506212451.db2.gz CFZVNROANXAYQV-KRWDZBQOSA-N 2 0 352.404 3.168 20 0 FGADRP CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)Nc1ccccc1CC[NH+](C)C ZINC000443379931 500716683 /nfs/dbraw/zinc/71/66/83/500716683.db2.gz NMYKKQPAXWFCTL-LJQANCHMSA-N 2 0 360.546 3.423 20 0 FGADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)NC[C@H]2CCC[NH+]2C2CCCCC2)C1 ZINC000438141687 500744416 /nfs/dbraw/zinc/74/44/16/500744416.db2.gz KSRAMPPELUTRND-UYAOXDASSA-N 2 0 364.578 3.203 20 0 FGADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NC[C@@H](C(C)C)[NH+]1CCC(C)CC1 ZINC000439180136 500866446 /nfs/dbraw/zinc/86/64/46/500866446.db2.gz AZUSICHGTXZWFJ-AABGKKOBSA-N 2 0 364.578 3.011 20 0 FGADRP C[C@H](C(=O)N[C@H](C[NH3+])c1ccc2ccccc2c1)[N@H+](C)Cc1ccccc1 ZINC000434696764 500880506 /nfs/dbraw/zinc/88/05/06/500880506.db2.gz HUAHRPNUTVFEOT-VGOFRKELSA-N 2 0 361.489 3.476 20 0 FGADRP CC(C)[C@@H]1CCC[N@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000444751409 500892319 /nfs/dbraw/zinc/89/23/19/500892319.db2.gz OXNIXHBZEMUCPC-OAQYLSRUSA-N 2 0 357.542 3.267 20 0 FGADRP CC[NH+]1CCN([C@H](C)C[NH2+]Cc2cnc(CCc3ccccc3)s2)CC1 ZINC000449076462 500918711 /nfs/dbraw/zinc/91/87/11/500918711.db2.gz HPJHUBMJMUZPNA-GOSISDBHSA-N 2 0 372.582 3.044 20 0 FGADRP C[C@@H](Cc1coc2ccccc12)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000449075751 500918854 /nfs/dbraw/zinc/91/88/54/500918854.db2.gz RXFFIRLGZQJYHD-KRWDZBQOSA-N 2 0 364.493 3.300 20 0 FGADRP C[C@@H]1C[NH+](Cc2ccccc2C[NH2+][C@@H]2CCOC3(CCC3)C2)C[C@@H](C)O1 ZINC000449107441 500926744 /nfs/dbraw/zinc/92/67/44/500926744.db2.gz MQBFANNUHMGSKQ-DBXWQHBBSA-N 2 0 358.526 3.487 20 0 FGADRP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]CCNC(=O)CC2CCCC2)CC1 ZINC000449111285 500927573 /nfs/dbraw/zinc/92/75/73/500927573.db2.gz KPOYMXNNUDRCNK-LJQANCHMSA-N 2 0 371.569 3.368 20 0 FGADRP CC(=O)NC1CCC([NH2+]C2CC[NH+]([C@@H](C)Cc3ccccc3)CC2)CC1 ZINC000449111997 500928241 /nfs/dbraw/zinc/92/82/41/500928241.db2.gz OUXOYOFNEXSZGW-RPCJCACASA-N 2 0 357.542 3.119 20 0 FGADRP O[C@H]1CCC[C@H]1[NH+]1CCC([NH2+]C2CCC(OC3CCCC3)CC2)CC1 ZINC000449185588 500942925 /nfs/dbraw/zinc/94/29/25/500942925.db2.gz GSVJQVGPHZHBPU-OLBNFPALSA-N 2 0 350.547 3.224 20 0 FGADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]C[C@@H](C)c2ccc(S(C)(=O)=O)cc2)C1 ZINC000449203608 500946918 /nfs/dbraw/zinc/94/69/18/500946918.db2.gz HMENSNWPWXEHGO-QZTJIDSGSA-N 2 0 366.571 3.151 20 0 FGADRP C[C@@H](Cc1coc2ccccc12)[NH2+]Cc1ccnc(OCC[NH+](C)C)c1 ZINC000449219596 500950692 /nfs/dbraw/zinc/95/06/92/500950692.db2.gz DOZVHVBHSPUQIO-INIZCTEOSA-N 2 0 353.466 3.489 20 0 FGADRP C[C@@H](COc1ccc(Cl)c(Cl)c1)[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000449220323 500951218 /nfs/dbraw/zinc/95/12/18/500951218.db2.gz CQVHPFQGLRWDEJ-AWEZNQCLSA-N 2 0 374.356 3.376 20 0 FGADRP Cc1cccn2cc(COc3ccc(C[N@@H+]4CC[C@H]([NH3+])[C@@H](C)C4)cc3)nc12 ZINC000435376684 500963057 /nfs/dbraw/zinc/96/30/57/500963057.db2.gz SYNKWYHXXOCMAK-UWJYYQICSA-N 2 0 364.493 3.391 20 0 FGADRP C[C@H]([NH3+])[C@@H]1CCCN(Cc2cc(Cl)ccc2OC[C@@H]2CCCO2)C1 ZINC000435385641 500964889 /nfs/dbraw/zinc/96/48/89/500964889.db2.gz QVTZRPJGQMRGDT-DAYGRLMNSA-N 2 0 352.906 3.457 20 0 FGADRP C[NH2+]C[C@@H]1CCN(Cc2cc(OC)c(OCc3ccccc3)c(OC)c2)C1 ZINC000435385690 500965217 /nfs/dbraw/zinc/96/52/17/500965217.db2.gz SOZDOOSQYMJPBN-SFHVURJKSA-N 2 0 370.493 3.324 20 0 FGADRP Cc1cccn2cc(COc3ccc(C[N@@H+]4CC[C@H](C[NH3+])C4)cc3)nc12 ZINC000435388472 500965813 /nfs/dbraw/zinc/96/58/13/500965813.db2.gz HEJTVJULOQLKOU-GOSISDBHSA-N 3 0 350.466 3.002 20 0 FGADRP C[C@@H](Cc1ccccc1)[NH+]1CCC(NCCC[N@@H+]2CCCO[C@H](C)C2)CC1 ZINC000449283364 500966035 /nfs/dbraw/zinc/96/60/35/500966035.db2.gz LMOLOPMQHQPPQT-LEWJYISDSA-N 2 0 373.585 3.173 20 0 FGADRP COc1cc(CN2CCCC[C@H]2[C@H](C)[NH3+])ccc1OCc1ccncc1 ZINC000435391442 500966748 /nfs/dbraw/zinc/96/67/48/500966748.db2.gz WQPKTQILYMFLHO-LPHOPBHVSA-N 2 0 355.482 3.371 20 0 FGADRP O=c1[nH]c2ccccc2cc1CN(Cc1ccccn1)[C@H]1CCC[NH2+]CC1 ZINC000435390863 500966886 /nfs/dbraw/zinc/96/68/86/500966886.db2.gz QOVFGYCLFUTAAU-FQEVSTJZSA-N 2 0 362.477 3.480 20 0 FGADRP CCC[C@@H](C)C(=O)NCC[NH2+]C1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000449338739 500981254 /nfs/dbraw/zinc/98/12/54/500981254.db2.gz HQQBKUCPEHSGIZ-MOPGFXCFSA-N 2 0 359.558 3.224 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@@H]2CCCC[NH+]2CC(C)C)C[C@@H]1C ZINC000440185764 500985129 /nfs/dbraw/zinc/98/51/29/500985129.db2.gz LACZOBMNIDPUIR-FHWLQOOXSA-N 2 0 352.567 3.011 20 0 FGADRP CN(CC(=O)Nc1c(Cl)cccc1C(F)(F)F)[C@@H]1CCC[NH2+]CC1 ZINC000435616094 501002271 /nfs/dbraw/zinc/00/22/71/501002271.db2.gz LEFRYPQTEULGKY-LLVKDONJSA-N 2 0 363.811 3.371 20 0 FGADRP CC(=O)Nc1cccc(CN(Cc2ccccn2)[C@H]2CCC[NH2+]CC2)c1 ZINC000435616241 501002309 /nfs/dbraw/zinc/00/23/09/501002309.db2.gz KBIORJRXHWKIKB-NRFANRHFSA-N 2 0 352.482 3.184 20 0 FGADRP COc1ccc(OCCN(Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)cc1 ZINC000435616475 501002672 /nfs/dbraw/zinc/00/26/72/501002672.db2.gz MECKZVLMXQSRCH-LJQANCHMSA-N 2 0 355.482 3.113 20 0 FGADRP Cc1ncsc1C[N@H+](CCc1ccc2c(c1)CCO2)C[C@@H]1CC[NH2+]C1 ZINC000435737379 501020989 /nfs/dbraw/zinc/02/09/89/501020989.db2.gz HOSRAAWPQKGQGK-QGZVFWFLSA-N 2 0 357.523 3.041 20 0 FGADRP CC(=O)N1CCC[N@H+](C[C@H]2CCCN(Cc3ccc4occc4c3)C2)CC1 ZINC000449508200 501021143 /nfs/dbraw/zinc/02/11/43/501021143.db2.gz UQVDZLMMCWSFHW-HXUWFJFHSA-N 2 0 369.509 3.199 20 0 FGADRP C[NH+](C)CCCC(C)(C)[NH2+]Cc1cn(-c2ccc(F)c(Cl)c2)nn1 ZINC000449527559 501025213 /nfs/dbraw/zinc/02/52/13/501025213.db2.gz JIXJLIBEMQFHCJ-UHFFFAOYSA-N 2 0 353.873 3.270 20 0 FGADRP CC[NH+]1CCN(CC(C)(C)[NH2+]C/C(C)=C/c2ccccc2COC)CC1 ZINC000449744265 501073170 /nfs/dbraw/zinc/07/31/70/501073170.db2.gz FYBXOVHCHSOQDJ-XDJHFCHBSA-N 2 0 359.558 3.242 20 0 FGADRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2ccc(-c3ccncc3)cc2F)CC1 ZINC000449745039 501073908 /nfs/dbraw/zinc/07/39/08/501073908.db2.gz LDACKGPVWHYDBO-UHFFFAOYSA-N 2 0 370.516 3.393 20 0 FGADRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2cc(F)cc(C(F)(F)F)c2)CC1 ZINC000449747725 501074604 /nfs/dbraw/zinc/07/46/04/501074604.db2.gz YBJAWTBTEQLJIN-UHFFFAOYSA-N 2 0 361.427 3.350 20 0 FGADRP CC[N@@H+]1CCC[C@H](CNC(=O)NCC[NH+]2CCC3(CCCCC3)CC2)C1 ZINC000441015955 501075992 /nfs/dbraw/zinc/07/59/92/501075992.db2.gz ZNAXIEBNKFGEKU-LJQANCHMSA-N 2 0 364.578 3.064 20 0 FGADRP C[C@H]([NH2+][C@@H]1CCO[C@H](c2nccn2C)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000449770785 501082699 /nfs/dbraw/zinc/08/26/99/501082699.db2.gz IZIXXEFORFGIFW-KCLUMXDGSA-N 2 0 368.525 3.140 20 0 FGADRP O=C(NCC1CC[NH+](C2CC2)CC1)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000446464987 501123218 /nfs/dbraw/zinc/12/32/18/501123218.db2.gz SXNCCYFDBSRVLG-NRFANRHFSA-N 2 0 355.526 3.032 20 0 FGADRP C[C@@H](c1ccccc1)[C@@H](O)C[NH+]1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000450472407 501129861 /nfs/dbraw/zinc/12/98/61/501129861.db2.gz FKVHTBSSIXNHHY-SRYPRDQNSA-N 2 0 374.569 3.362 20 0 FGADRP CC[C@H]([NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1)c1cccc(F)c1 ZINC000446839148 501171340 /nfs/dbraw/zinc/17/13/40/501171340.db2.gz PUUBRPGQKRGOGG-NRFANRHFSA-N 2 0 356.489 3.474 20 0 FGADRP CC[NH+](CC)C[C@H]1CCCC[C@@H]1NC(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000447035712 501196446 /nfs/dbraw/zinc/19/64/46/501196446.db2.gz DBBJVJXCIZIGED-QUCCMNQESA-N 2 0 364.578 3.061 20 0 FGADRP CN1CC[NH+](CC2(C)CC[NH+](Cc3ccccc3OC3CC3)CC2)CC1 ZINC000450737144 501197233 /nfs/dbraw/zinc/19/72/33/501197233.db2.gz KRXGLLZUECEICC-UHFFFAOYSA-N 2 0 357.542 3.077 20 0 FGADRP C[NH+](C)Cc1ccsc1C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000447093929 501204567 /nfs/dbraw/zinc/20/45/67/501204567.db2.gz NRNNAZZLLQCFKW-UHFFFAOYSA-N 2 0 357.523 3.336 20 0 FGADRP CCN1CC[NH+](CCCC[NH2+][C@@H](C)c2cc(-c3ccccc3)nn2C)CC1 ZINC000453076661 501263858 /nfs/dbraw/zinc/26/38/58/501263858.db2.gz JLUFASMJOVXYRX-IBGZPJMESA-N 2 0 369.557 3.155 20 0 FGADRP C[C@H](CN1CCCC1=O)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000453083733 501265272 /nfs/dbraw/zinc/26/52/72/501265272.db2.gz GHGYGSOKLWPCGD-PMXSJFBMSA-N 2 0 355.526 3.030 20 0 FGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+][C@H](C)Cc2cnccn2)CC1 ZINC000453094065 501267797 /nfs/dbraw/zinc/26/77/97/501267797.db2.gz GKXLKMPLJIOEBW-SJORKVTESA-N 2 0 371.504 3.039 20 0 FGADRP c1ccc(C[N@H+]2CC[C@H]([NH2+]CCCOC[C@@H]3CCOC3)[C@H]3CCC[C@@H]32)cc1 ZINC000453120979 501273516 /nfs/dbraw/zinc/27/35/16/501273516.db2.gz KMOFODZGVSRKCS-BJESRGMDSA-N 2 0 372.553 3.462 20 0 FGADRP C[C@H](CCN1CCOCC1)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000453148034 501279335 /nfs/dbraw/zinc/27/93/35/501279335.db2.gz QKLCQPUIWVCPOX-PNJWGLBASA-N 2 0 371.569 3.130 20 0 FGADRP CC[NH+](CC)Cc1cccc(CNC(=O)NCc2ccc3c[nH+]cn3c2)c1 ZINC000457666516 501281929 /nfs/dbraw/zinc/28/19/29/501281929.db2.gz LNTVAFKWAGRCBN-UHFFFAOYSA-N 2 0 365.481 3.176 20 0 FGADRP C[C@@H]([NH2+]C[C@@H](O)Cc1cccc(F)c1)c1cccc(OCC[NH+](C)C)c1 ZINC000453254948 501300713 /nfs/dbraw/zinc/30/07/13/501300713.db2.gz YZEJRJKFVDTIIH-UZLBHIALSA-N 2 0 360.473 3.020 20 0 FGADRP COC1([C@@H](C)[NH2+]C[C@H]2CCCC[N@H+](Cc3ccccc3)C2)CCOCC1 ZINC000453254637 501300972 /nfs/dbraw/zinc/30/09/72/501300972.db2.gz PJPKYSDLQCPVOZ-TZIWHRDSSA-N 2 0 360.542 3.462 20 0 FGADRP COC1([C@@H](C)[NH2+]C[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)CCOCC1 ZINC000453254629 501301100 /nfs/dbraw/zinc/30/11/00/501301100.db2.gz PJPKYSDLQCPVOZ-CTNGQTDRSA-N 2 0 360.542 3.462 20 0 FGADRP C[C@@H]([NH2+]C[C@H](O)Cc1cccc(F)c1)c1cccc(OCC[NH+](C)C)c1 ZINC000453254947 501301131 /nfs/dbraw/zinc/30/11/31/501301131.db2.gz YZEJRJKFVDTIIH-OXQOHEQNSA-N 2 0 360.473 3.020 20 0 FGADRP Cc1cc(C)c(NC(=O)NCc2ccc(CN3CCOCC3)cc2)c(C)n1 ZINC000455469285 501311200 /nfs/dbraw/zinc/31/12/00/501311200.db2.gz HNFJEPSWEHHLQO-UHFFFAOYSA-N 2 0 368.481 3.161 20 0 FGADRP CCn1ccnc1[C@H](C)NC(=O)N1CCC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000455477661 501313506 /nfs/dbraw/zinc/31/35/06/501313506.db2.gz UMKKZXUZJVIRAE-ROUUACIJSA-N 2 0 369.513 3.270 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)Cc2cc(F)cc(OC)c2)[C@@H](C)C1 ZINC000453414386 501326691 /nfs/dbraw/zinc/32/66/91/501326691.db2.gz YSIZBFRXURTXOM-FVJLSDCUSA-N 2 0 366.521 3.492 20 0 FGADRP Cc1cc(NC(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)cn2ccnc12 ZINC000455671058 501361162 /nfs/dbraw/zinc/36/11/62/501361162.db2.gz WIQGQBVEWILWCD-INIZCTEOSA-N 2 0 353.426 3.194 20 0 FGADRP Cc1ccc([C@@H](CNC(=O)N(C)[C@H]2CC[N@@H+](C(C)C)C2)[NH+]2CCCC2)cc1 ZINC000458134060 501377542 /nfs/dbraw/zinc/37/75/42/501377542.db2.gz HSSYSTILSKRQMI-LEWJYISDSA-N 2 0 372.557 3.256 20 0 FGADRP C[C@H]1C[C@H](NC(=O)NC(C)(C)CCC[NH+](C)C)CC[N@@H+]1Cc1ccccc1 ZINC000458486393 501455582 /nfs/dbraw/zinc/45/55/82/501455582.db2.gz GPKCAXLTPUEFDT-AZUAARDMSA-N 2 0 374.573 3.459 20 0 FGADRP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)NCC[C@@H](C)[NH+](C)Cc2ccccc2)C1 ZINC000458505988 501461120 /nfs/dbraw/zinc/46/11/20/501461120.db2.gz NGJGPTOUIHSMFP-QUCCMNQESA-N 2 0 360.546 3.021 20 0 FGADRP CC(C)C[C@H](CNC(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1)[NH2+][C@@H](C)c1ccccc1 ZINC000458555124 501473092 /nfs/dbraw/zinc/47/30/92/501473092.db2.gz LZPFAAHULZYSNT-MJUUVYJYSA-N 2 0 372.557 3.097 20 0 FGADRP Cc1ccccc1[C@H]([C@H](C)NC(=O)NCC[C@@H]1CCC[N@H+](C)C1)[NH+](C)C ZINC000458785436 501531106 /nfs/dbraw/zinc/53/11/06/501531106.db2.gz WMROUIWHIMNIFE-BJLQDIEVSA-N 2 0 360.546 3.017 20 0 FGADRP Cc1ccc([C@@H](CNC(=O)NC2CC[NH+](C3CCC3)CC2)[NH+]2CCCC2)o1 ZINC000454446660 501547242 /nfs/dbraw/zinc/54/72/42/501547242.db2.gz XYXRRJGXNUFMBT-LJQANCHMSA-N 2 0 374.529 3.041 20 0 FGADRP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC2CC[NH+](C3CCC3)CC2)C1 ZINC000454481176 501556266 /nfs/dbraw/zinc/55/62/66/501556266.db2.gz IECQOOAVENSUBO-KRWDZBQOSA-N 2 0 364.578 3.203 20 0 FGADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCCCC[NH+](C)C2CC2)C1 ZINC000454481772 501556497 /nfs/dbraw/zinc/55/64/97/501556497.db2.gz IMCFFSYQSKKCOT-QGZVFWFLSA-N 2 0 352.567 3.061 20 0 FGADRP C[N@@H+]1CCC[C@H](CCNC(=O)N2CCC[NH+](CC3CCCCC3)CC2)C1 ZINC000459254097 501619535 /nfs/dbraw/zinc/61/95/35/501619535.db2.gz HQPJESQAKQIILY-HXUWFJFHSA-N 2 0 364.578 3.016 20 0 FGADRP C[C@@H]1C[C@@H](NC(=O)NC[C@@H](C2CC2)[N@H+](C)Cc2ccccc2)c2nccn21 ZINC000454824984 501637971 /nfs/dbraw/zinc/63/79/71/501637971.db2.gz SLLKGQOSZDLZPK-LZQZEXGQSA-N 2 0 367.497 3.099 20 0 FGADRP CC[NH+]1CCN(c2ccc(C[NH2+]CCc3cccc(Cl)c3)cn2)CC1 ZINC000459392205 501645758 /nfs/dbraw/zinc/64/57/58/501645758.db2.gz PQOJSJTXXINQGH-UHFFFAOYSA-N 2 0 358.917 3.209 20 0 FGADRP CN(C(=O)c1cccc(C[NH+](C)C)c1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457087072 501648156 /nfs/dbraw/zinc/64/81/56/501648156.db2.gz PSAYMPDRVNKQJE-UHFFFAOYSA-N 2 0 371.447 3.237 20 0 FGADRP C[C@@H](C(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000457094074 501649417 /nfs/dbraw/zinc/64/94/17/501649417.db2.gz ZFAHSBKCTGJVPJ-KFWWJZLASA-N 2 0 363.468 3.123 20 0 FGADRP C[C@H](C(=O)NCCCC[N@H+](C)C1CC1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000457200759 501664169 /nfs/dbraw/zinc/66/41/69/501664169.db2.gz LZBPBPDFKBXPTA-LJQANCHMSA-N 2 0 371.569 3.320 20 0 FGADRP O=C(NCCCCC[NH+]1CCCC1)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000455120485 501691749 /nfs/dbraw/zinc/69/17/49/501691749.db2.gz RYWBDSSYFVEYOB-OAQYLSRUSA-N 2 0 372.557 3.389 20 0 FGADRP CC[NH+]1CCN(c2ccccc2C[NH2+][C@H]2Cc3cccc(OC)c3C2)CC1 ZINC000459701137 501701004 /nfs/dbraw/zinc/70/10/04/501701004.db2.gz NANFIWVIKGSXHF-FQEVSTJZSA-N 2 0 365.521 3.094 20 0 FGADRP CN(c1ccccc1C[NH2+]CC[C@H]1CCC[N@H+](C)C1)C1CC[NH+](C)CC1 ZINC000459745858 501707725 /nfs/dbraw/zinc/70/77/25/501707725.db2.gz YOEKTFJGKCQHJX-LJQANCHMSA-N 3 0 358.574 3.039 20 0 FGADRP C[C@@H]([NH2+]C1(C2CCC2)CCC1)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000459772500 501711947 /nfs/dbraw/zinc/71/19/47/501711947.db2.gz OHUUUXKBAIYPIX-YLJYHZDGSA-N 2 0 355.526 3.078 20 0 FGADRP CCCN(CC[NH+]1CCCCCC1)C(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000460248189 501770432 /nfs/dbraw/zinc/77/04/32/501770432.db2.gz SMGDKGYYGDBVSQ-HXUWFJFHSA-N 2 0 366.594 3.404 20 0 FGADRP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+]C2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)C1 ZINC000467350367 501775130 /nfs/dbraw/zinc/77/51/30/501775130.db2.gz PMUAAVSZJGAFHL-HZEGPAAWSA-N 2 0 357.542 3.384 20 0 FGADRP Cc1ccc(C[C@H](CO)[NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)cc1 ZINC000467369502 501778531 /nfs/dbraw/zinc/77/85/31/501778531.db2.gz ZAABKNLYSOMRBX-JLLPCOHGSA-N 2 0 364.533 3.399 20 0 FGADRP Cc1cc(C[NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)ccc1I ZINC000467373200 501779786 /nfs/dbraw/zinc/77/97/86/501779786.db2.gz KDMSIPYXOUPOIX-DOMZBBRYSA-N 2 0 358.267 3.029 20 0 FGADRP CCOc1ccc(NC(=O)CC[N@@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)cc1 ZINC000485426595 501817889 /nfs/dbraw/zinc/81/78/89/501817889.db2.gz QFRZSHJWMKSJLA-SFHVURJKSA-N 2 0 359.514 3.078 20 0 FGADRP COc1ccc(NC(=O)CC[N@H+](C)CC[C@@H]2CCCC[NH+]2C)cc1Cl ZINC000485425391 501818076 /nfs/dbraw/zinc/81/80/76/501818076.db2.gz DJWOXOWULHGHPY-INIZCTEOSA-N 2 0 367.921 3.483 20 0 FGADRP CCC[N@H+](C)C[C@@H]1CC[NH+](CCC(=O)Nc2ccc(OC)c(Cl)c2)C1 ZINC000485428178 501818414 /nfs/dbraw/zinc/81/84/14/501818414.db2.gz BGQFDLQJGQCFMD-HNNXBMFYSA-N 2 0 367.921 3.341 20 0 FGADRP CC(C)COC[C@H](O)C[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000485464837 501828413 /nfs/dbraw/zinc/82/84/13/501828413.db2.gz IZAHFUIWPRBPMB-OAQYLSRUSA-N 2 0 360.542 3.008 20 0 FGADRP CCc1cccc(F)c1C[NH2+]Cc1ccc(N2CC[NH+](CC)CC2)nc1 ZINC000474482654 501851317 /nfs/dbraw/zinc/85/13/17/501851317.db2.gz NLLLVKSNMZEGGO-UHFFFAOYSA-N 2 0 356.489 3.215 20 0 FGADRP CC[NH+]1CCN(CCCC[NH2+][C@H](C)c2nc(C(F)(F)F)cs2)CC1 ZINC000467749568 501860479 /nfs/dbraw/zinc/86/04/79/501860479.db2.gz OZLPRFPPVXEVRS-CYBMUJFWSA-N 2 0 364.481 3.230 20 0 FGADRP C[C@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)c1nc(C(F)(F)F)cs1 ZINC000467752820 501861441 /nfs/dbraw/zinc/86/14/41/501861441.db2.gz MIPKGLKPCVKPQY-LBPRGKRZSA-N 2 0 364.481 3.086 20 0 FGADRP CCC(CC)[C@H](CNC(=O)N[C@H](c1nccn1C)C1CC1)[NH+]1CCCC1 ZINC000478168542 501899322 /nfs/dbraw/zinc/89/93/22/501899322.db2.gz DBSVVQOWQSSRLH-ROUUACIJSA-N 2 0 361.534 3.071 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H](NC[C@H](c2ccc(C)cc2)[NH+](C)C)[C@H](C)C1 ZINC000481952351 501927255 /nfs/dbraw/zinc/92/72/55/501927255.db2.gz ULHJETRTXULICO-BAGYTPMASA-N 2 0 361.574 3.324 20 0 FGADRP CC(C)C[C@H](CNC(=O)N1CCC[N@H+](C)CC1)[NH2+][C@@H](C)c1ccccc1 ZINC000468023130 501932255 /nfs/dbraw/zinc/93/22/55/501932255.db2.gz WCLBESKKHJAIEQ-AZUAARDMSA-N 2 0 360.546 3.099 20 0 FGADRP CC(C)C[C@H](CNC(=O)NC[C@H]1CCC[N@@H+]1C)[NH2+][C@@H](C)c1ccccc1 ZINC000468028998 501934181 /nfs/dbraw/zinc/93/41/81/501934181.db2.gz XNVFQUGJZBUYEU-DFQSSKMNSA-N 2 0 360.546 3.145 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@H](C)c1cccc(Cl)c1 ZINC000460917061 501958992 /nfs/dbraw/zinc/95/89/92/501958992.db2.gz ZNNWGWHTAXLSJI-VQIMIIECSA-N 2 0 365.949 3.318 20 0 FGADRP CC(C)[C@H]1CCC[C@H]([NH2+]CC2CC[NH+](CC(=O)NC(C)(C)C)CC2)C1 ZINC000474807678 501959022 /nfs/dbraw/zinc/95/90/22/501959022.db2.gz JILXFHSCUYSYOQ-OALUTQOASA-N 2 0 351.579 3.418 20 0 FGADRP CC(C)(CNC(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1)C[NH+]1CCCC1 ZINC000478416613 501975070 /nfs/dbraw/zinc/97/50/70/501975070.db2.gz OWSPMHVGGZMESA-FQEVSTJZSA-N 2 0 372.557 3.245 20 0 FGADRP CCN(C(=O)NCCC[NH+]1CCCCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475010109 502021168 /nfs/dbraw/zinc/02/11/68/502021168.db2.gz NAVFQIYKPYVOMT-OAQYLSRUSA-N 2 0 372.557 3.168 20 0 FGADRP C[NH+](C)CCN(C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1)C1CCCC1 ZINC000468324546 502024956 /nfs/dbraw/zinc/02/49/56/502024956.db2.gz WTZBDCSEZUFOCD-NRFANRHFSA-N 2 0 372.557 3.339 20 0 FGADRP C[C@H](C[N@H+](C)CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)c1ccccc1 ZINC000475033794 502028422 /nfs/dbraw/zinc/02/84/22/502028422.db2.gz SJABYYTVKBHVLN-WIYYLYMNSA-N 2 0 353.510 3.141 20 0 FGADRP CC[NH+]1CCC(CCNC(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000475106673 502061244 /nfs/dbraw/zinc/06/12/44/502061244.db2.gz BTMPVCFFXXAEHM-NRFANRHFSA-N 2 0 372.557 3.024 20 0 FGADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N(C)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000475129610 502071182 /nfs/dbraw/zinc/07/11/82/502071182.db2.gz KHKDEOIMWJBTJH-DYXWJJEUSA-N 2 0 372.557 3.023 20 0 FGADRP C[NH+](C)Cc1ccsc1C(=O)NC[C@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000482475818 502080844 /nfs/dbraw/zinc/08/08/44/502080844.db2.gz DCZREIYXLMUTLH-LJQANCHMSA-N 2 0 371.550 3.450 20 0 FGADRP CC[C@H](C)[N@H+](C)CCNC(=O)N(CC)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000475168923 502088845 /nfs/dbraw/zinc/08/88/45/502088845.db2.gz BBVWBZDFUUMLDM-AZUAARDMSA-N 2 0 360.546 3.023 20 0 FGADRP CC(C)(C)[NH+]1CCC([NH2+]CCCCn2cc(Br)cn2)CC1 ZINC000475214314 502101395 /nfs/dbraw/zinc/10/13/95/502101395.db2.gz YNJZGFBOLHRVMZ-UHFFFAOYSA-N 2 0 357.340 3.278 20 0 FGADRP CCC[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1ccc(Cl)cc1 ZINC000482556305 502109949 /nfs/dbraw/zinc/10/99/49/502109949.db2.gz JMSMHCJBYNDNFG-FUHWJXTLSA-N 2 0 351.922 3.358 20 0 FGADRP CC[NH+](CC)[C@H](C(=O)N1CC[C@H](C[NH+]2CCCCC2)C1)c1ccccc1 ZINC000461436965 502113244 /nfs/dbraw/zinc/11/32/44/502113244.db2.gz FMRATRFEZGEEQU-CTNGQTDRSA-N 2 0 357.542 3.404 20 0 FGADRP O=C(NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)[C@H](C1CC1)[NH+]1CCCC1 ZINC000461467841 502125803 /nfs/dbraw/zinc/12/58/03/502125803.db2.gz VQXLFNHWTVYABB-UNMCSNQZSA-N 2 0 369.553 3.279 20 0 FGADRP CC[N@H+](C)Cc1cccc(CNC(=O)NCC(C)(C)C[NH+]2CCCC2)c1 ZINC000478967187 502131410 /nfs/dbraw/zinc/13/14/10/502131410.db2.gz UMUCGYXBJVXXNU-UHFFFAOYSA-N 2 0 360.546 3.060 20 0 FGADRP C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000482634277 502134359 /nfs/dbraw/zinc/13/43/59/502134359.db2.gz SFQCDRUXFLOTDB-OVQGTLEDSA-N 2 0 357.542 3.298 20 0 FGADRP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)NC[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000471866975 502159068 /nfs/dbraw/zinc/15/90/68/502159068.db2.gz YPYYDTLXNFSDGX-SVFBPWRDSA-N 2 0 372.557 3.071 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)[C@H](C[NH3+])c1ccc(F)cc1)c1ccsc1 ZINC000479182911 502185741 /nfs/dbraw/zinc/18/57/41/502185741.db2.gz DAJUAXVAPOMCNK-QZTJIDSGSA-N 2 0 363.502 3.129 20 0 FGADRP C[C@H]([NH2+]Cc1ccc([S@@](C)=O)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000486557880 502189031 /nfs/dbraw/zinc/18/90/31/502189031.db2.gz AAUVKPMNHLEJIA-APJQNUAFSA-N 2 0 356.535 3.424 20 0 FGADRP CCCC[N@H+](C)C[C@H](C)NC(=O)N(C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000461801087 502207541 /nfs/dbraw/zinc/20/75/41/502207541.db2.gz LEQAPFDGLCLHIB-FPOVZHCZSA-N 2 0 374.573 3.270 20 0 FGADRP CC(C)[C@@H](CNC(=O)N1CC[C@H]([NH+]2CCCC2)[C@H]1C)[NH+]1CCC(C)CC1 ZINC000479269533 502210839 /nfs/dbraw/zinc/21/08/39/502210839.db2.gz CHNVIXYYSVUCMF-HSALFYBXSA-N 2 0 364.578 3.011 20 0 FGADRP CC(C)[C@@H](CNC(=O)N1CC[C@@H]([NH+]2CCCC2)[C@H]1C)[NH+]1CCC(C)CC1 ZINC000479269537 502210864 /nfs/dbraw/zinc/21/08/64/502210864.db2.gz CHNVIXYYSVUCMF-VAMGGRTRSA-N 2 0 364.578 3.011 20 0 FGADRP CC[C@H](C)[NH2+][C@H](CNC(=O)NC[C@H](C)[N@@H+]1CCCC[C@H]1C)c1ccco1 ZINC000479280023 502213614 /nfs/dbraw/zinc/21/36/14/502213614.db2.gz JBOCCYWFTXSYID-XWTMOSNGSA-N 2 0 364.534 3.271 20 0 FGADRP Cc1ccc(NC(=O)CC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)nc1 ZINC000482943911 502223273 /nfs/dbraw/zinc/22/32/73/502223273.db2.gz FXEDMXGCOFUTGC-QUCCMNQESA-N 2 0 366.509 3.219 20 0 FGADRP CCN(CCC[NH+]1CCCC1)C(=O)NCCCC[N@@H+]1CCCC[C@@H]1C ZINC000472112309 502236624 /nfs/dbraw/zinc/23/66/24/502236624.db2.gz GSOIZLXGKDQBAH-IBGZPJMESA-N 2 0 352.567 3.158 20 0 FGADRP CC[NH+](CC)[C@H](C)CNC(=O)NCC[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000472114643 502237390 /nfs/dbraw/zinc/23/73/90/502237390.db2.gz GOSAIUIBAIPQJE-QKNQBKEWSA-N 2 0 374.573 3.317 20 0 FGADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)NC(C)(C)CC[NH+]2CCCCCC2)C1 ZINC000483000174 502240886 /nfs/dbraw/zinc/24/08/86/502240886.db2.gz UHKNDYMXRHAXTC-LJQANCHMSA-N 2 0 366.594 3.451 20 0 FGADRP C[C@H](CCCCN1C(=O)c2ccccc2C1=O)[NH2+]CCC[NH+]1CCCCC1 ZINC000472146603 502247430 /nfs/dbraw/zinc/24/74/30/502247430.db2.gz ZHPDWYWEWQXDSM-GOSISDBHSA-N 2 0 371.525 3.307 20 0 FGADRP CCC[NH+]1CCC(NC(=O)NC(C)(C)CC[NH+]2CCCCCC2)CC1 ZINC000483074542 502264165 /nfs/dbraw/zinc/26/41/65/502264165.db2.gz FDXJRGFNYUNGCO-UHFFFAOYSA-N 2 0 352.567 3.205 20 0 FGADRP CC[C@@H](C(=O)N1CCC[N@H+](CCCc2ccccc2)CC1)[NH+](CC)CC ZINC000462008751 502271791 /nfs/dbraw/zinc/27/17/91/502271791.db2.gz IGZPWPGUISSRMJ-NRFANRHFSA-N 2 0 359.558 3.274 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N1CC[C@@H]([NH+](CC)CC)C1)Cc1ccccc1 ZINC000465522121 502288053 /nfs/dbraw/zinc/28/80/53/502288053.db2.gz BHXGEGAMTNHQNU-RTWAWAEBSA-N 2 0 374.573 3.065 20 0 FGADRP CCCc1cccc(C[NH2+]CCCC[NH+]2CCN(c3ncccn3)CC2)c1 ZINC000479543744 502292245 /nfs/dbraw/zinc/29/22/45/502292245.db2.gz OGAPODNDQJKDRM-UHFFFAOYSA-N 2 0 367.541 3.121 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CNC(=O)NCc1ccc(C[NH+]2CCC[C@@H](C)C2)cc1 ZINC000465545165 502300669 /nfs/dbraw/zinc/30/06/69/502300669.db2.gz BMIPOEZOIPBTCY-NQIIRXRSSA-N 2 0 372.557 3.202 20 0 FGADRP CC[N@H+](Cc1ccc(C(=O)N(C)[C@@H](C)C2CC[NH+](C)CC2)cc1)C1CC1 ZINC000479591476 502309431 /nfs/dbraw/zinc/30/94/31/502309431.db2.gz WSSNGRAWGBRVPC-KRWDZBQOSA-N 2 0 357.542 3.473 20 0 FGADRP CCC[NH+]1CCC(NC(=O)NC[C@H](C(C)C)[NH+]2CCCCCC2)CC1 ZINC000465567523 502310255 /nfs/dbraw/zinc/31/02/55/502310255.db2.gz LACJFPWPYSQRDM-LJQANCHMSA-N 2 0 352.567 3.061 20 0 FGADRP CCC[NH+]1CCC([NH2+]C[C@H](CO)Cc2cccc(OC(F)(F)F)c2)CC1 ZINC000462118147 502314037 /nfs/dbraw/zinc/31/40/37/502314037.db2.gz CYZZFTRIYBGBKQ-MRXNPFEDSA-N 2 0 374.447 3.200 20 0 FGADRP CCC(CC)[C@H](CNC(=O)N(C)CC[C@H]1CCCC[N@@H+]1C)[NH+]1CCCC1 ZINC000465584508 502316161 /nfs/dbraw/zinc/31/61/61/502316161.db2.gz DOAVLXARLCFVGA-UXHICEINSA-N 2 0 366.594 3.403 20 0 FGADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1F ZINC000475897572 502325151 /nfs/dbraw/zinc/32/51/51/502325151.db2.gz NPEXGZYMNAKOCI-AWEZNQCLSA-N 2 0 355.473 3.022 20 0 FGADRP C[C@H](NC(=O)NCC[N@H+](C)C1CCCC1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000487037740 502338067 /nfs/dbraw/zinc/33/80/67/502338067.db2.gz ROLCXHWICBQVMV-AZUAARDMSA-N 2 0 372.557 3.071 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@H](C)c1ccc(C)cc1 ZINC000465653696 502338141 /nfs/dbraw/zinc/33/81/41/502338141.db2.gz FWJRXIHISBQRRT-QUCCMNQESA-N 2 0 360.546 3.114 20 0 FGADRP CC1(C)OCc2cc(C[NH+]3CCC(CC[NH+]4CCOCC4)CC3)ccc2O1 ZINC000469212253 502338998 /nfs/dbraw/zinc/33/89/98/502338998.db2.gz UJSRKXIDRBLCLT-UHFFFAOYSA-N 2 0 374.525 3.266 20 0 FGADRP Cc1cc(Br)ccc1NC(=O)C[N@H+](C)CCC1CC[NH2+]CC1 ZINC000479689914 502345568 /nfs/dbraw/zinc/34/55/68/502345568.db2.gz RCVBPXWQVWEWOY-UHFFFAOYSA-N 2 0 368.319 3.018 20 0 FGADRP CC[NH+]1CCC(CCNC(=O)N[C@@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)CC1 ZINC000465747693 502369213 /nfs/dbraw/zinc/36/92/13/502369213.db2.gz HNCILGIWFXBYBL-WIYYLYMNSA-N 2 0 372.557 3.243 20 0 FGADRP CC[C@H](C(=O)N1CCC(C[N@H+](C)Cc2ccccc2)CC1)[NH+](CC)CC ZINC000469370574 502388968 /nfs/dbraw/zinc/38/89/68/502388968.db2.gz BNOHPJLKVCXXAK-OAQYLSRUSA-N 2 0 359.558 3.477 20 0 FGADRP CC[N@@H+]1CC[C@H]([NH2+][C@H]2CCN(c3cccc(Br)c3)C2)[C@H](C)C1 ZINC000483433404 502390782 /nfs/dbraw/zinc/39/07/82/502390782.db2.gz MSEZSIREMDLNAF-HFTRVMKXSA-N 2 0 366.347 3.348 20 0 FGADRP CCC[N@@H+]1CC[C@H](CNC(=O)N[C@@H](C[NH+](C)Cc2ccccc2)C(C)C)C1 ZINC000469435557 502416243 /nfs/dbraw/zinc/41/62/43/502416243.db2.gz CWZJDGCRGMLPAB-RTWAWAEBSA-N 2 0 374.573 3.174 20 0 FGADRP CC(C)[C@H](C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1)[NH+](C)C ZINC000483558507 502432188 /nfs/dbraw/zinc/43/21/88/502432188.db2.gz JIGPKKFTJBXAHI-NJDAHSKKSA-N 2 0 357.542 3.086 20 0 FGADRP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000466041099 502463188 /nfs/dbraw/zinc/46/31/88/502463188.db2.gz WCLCCOBXBDDQDV-HMXCVIKNSA-N 2 0 372.557 3.023 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@]2([NH+](C)C)CCC[C@@H](C)C2)C[C@H]1C ZINC000483699166 502467543 /nfs/dbraw/zinc/46/75/43/502467543.db2.gz ZBNDUNDKBTWDIL-XSYGEPLQSA-N 2 0 352.567 3.011 20 0 FGADRP CC[NH+]1CCC(CCNC(=O)N2CC[NH+](CC3CCCCC3)CC2)CC1 ZINC000466099974 502478006 /nfs/dbraw/zinc/47/80/06/502478006.db2.gz KIWVTUCEWOZJQN-UHFFFAOYSA-N 2 0 364.578 3.016 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CC[NH+]([C@@H](C)c3ccccc3)C2)C[C@H]1C ZINC000483756146 502484428 /nfs/dbraw/zinc/48/44/28/502484428.db2.gz CFWQOAOELZCMNV-JYRKZWEQSA-N 2 0 372.557 3.336 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CC[NH+]([C@H](C)c3ccccc3)C2)C[C@H]1C ZINC000483756148 502484958 /nfs/dbraw/zinc/48/49/58/502484958.db2.gz CFWQOAOELZCMNV-UKAVVXHISA-N 2 0 372.557 3.336 20 0 FGADRP CC(C)[NH+](CCNC(=O)N[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)C(C)C ZINC000466147888 502489349 /nfs/dbraw/zinc/48/93/49/502489349.db2.gz YRJNABKCMWEDMZ-QUCCMNQESA-N 2 0 360.546 3.067 20 0 FGADRP CCC[NH+]1CCC(NC(=O)NCC[C@H](C)[N@H+](C)Cc2ccccc2)CC1 ZINC000472988654 502492248 /nfs/dbraw/zinc/49/22/48/502492248.db2.gz VUHFDFKUTDWBMM-SFHVURJKSA-N 2 0 360.546 3.071 20 0 FGADRP C[C@H](CCNC(=O)N1CC[C@@H]([NH+]2CCCCC2)C1)[N@H+](C)Cc1ccccc1 ZINC000473008198 502498696 /nfs/dbraw/zinc/49/86/96/502498696.db2.gz ILWVBCWLLWXCEE-TZIWHRDSSA-N 2 0 372.557 3.167 20 0 FGADRP C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)N2CC[C@]3(CC[NH2+]C3)C2)c1 ZINC000462639673 502517755 /nfs/dbraw/zinc/51/77/55/502517755.db2.gz IKAQVCHGWKJFQS-QHCPKHFHSA-N 2 0 363.505 3.144 20 0 FGADRP C[C@H]1CCCN1C(=O)CC[NH2+]C1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC000469763688 502536428 /nfs/dbraw/zinc/53/64/28/502536428.db2.gz LEGTXNFSFKQMCJ-QRVBRYPASA-N 2 0 357.542 3.134 20 0 FGADRP C[C@H]1C[C@H]1[N@@H+]1CCN(C(=O)NCCCC[NH+]2CCCC[C@@H]2C)C[C@@H](C)C1 ZINC000487822825 502540356 /nfs/dbraw/zinc/54/03/56/502540356.db2.gz QGQATSULXOCEFY-LWYYNNOASA-N 2 0 364.578 3.013 20 0 FGADRP C[C@H](C[NH+]1CCCCCC1)NC(=O)Nc1cccc(OCC[NH+](C)C)c1 ZINC000480358325 502546355 /nfs/dbraw/zinc/54/63/55/502546355.db2.gz YSFDTDSJECVSKH-QGZVFWFLSA-N 2 0 362.518 3.013 20 0 FGADRP C[C@@H](NC(=O)NCC1([NH+](C)C)CCCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000487889868 502557968 /nfs/dbraw/zinc/55/79/68/502557968.db2.gz AKAXBQUETVBPTI-UYAOXDASSA-N 2 0 372.557 3.071 20 0 FGADRP CC[N@H+](CCC1CC[NH+](CCC(=O)Nc2cccnc2)CC1)CC1CC1 ZINC000484054140 502558365 /nfs/dbraw/zinc/55/83/65/502558365.db2.gz CLWQSVUBTXTFGG-UHFFFAOYSA-N 2 0 358.530 3.244 20 0 FGADRP Cc1cc2cc(C[N@@H+]3CCC[C@H](CNC(=O)[C@@H]4CCC[NH2+]4)C3)oc2cc1C ZINC000469857796 502570868 /nfs/dbraw/zinc/57/08/68/502570868.db2.gz XRXZFHNYKWVTPJ-XLIONFOSSA-N 2 0 369.509 3.130 20 0 FGADRP COC(=O)CCCN1CCC([NH2+]CCCc2cccc(Cl)c2)CC1 ZINC000462783573 502571240 /nfs/dbraw/zinc/57/12/40/502571240.db2.gz RHDAIEMFNNLMDI-UHFFFAOYSA-N 2 0 352.906 3.280 20 0 FGADRP C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)N1CCN(Cc2ccccc2)C[C@H]1C ZINC000476785877 502585694 /nfs/dbraw/zinc/58/56/94/502585694.db2.gz BIVSGRWWPUUECI-XUVXKRRUSA-N 2 0 372.557 3.023 20 0 FGADRP Cc1nc([C@@H](C)[NH2+]CCCN2CC[N@H+](C)C[C@@H]2c2ccccc2)cs1 ZINC000462885928 502614617 /nfs/dbraw/zinc/61/46/17/502614617.db2.gz WMYPLEPCJCTOLU-OXQOHEQNSA-N 2 0 358.555 3.481 20 0 FGADRP COc1ccc(C[C@H](C)C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)cc1F ZINC000469980146 502616367 /nfs/dbraw/zinc/61/63/67/502616367.db2.gz BEMMNICTZMTFLS-ICSUOEFDSA-N 2 0 364.505 3.196 20 0 FGADRP COc1ccc(C[C@H](C)C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)cc1F ZINC000469980148 502616622 /nfs/dbraw/zinc/61/66/22/502616622.db2.gz BEMMNICTZMTFLS-WRGRXTPVSA-N 2 0 364.505 3.196 20 0 FGADRP CC(C)CC[NH+]1CCC(C[NH2+]C2CCN(Cc3ccccn3)CC2)CC1 ZINC000484292857 502617354 /nfs/dbraw/zinc/61/73/54/502617354.db2.gz JADNDJCAKCFSAL-UHFFFAOYSA-N 2 0 358.574 3.394 20 0 FGADRP Cn1cc(C[NH2+]Cc2ccc(OC3CC[NH+](C)CC3)cc2)c(C(F)F)n1 ZINC000462895195 502618011 /nfs/dbraw/zinc/61/80/11/502618011.db2.gz KJSZTSXAPPUONG-UHFFFAOYSA-N 2 0 364.440 3.121 20 0 FGADRP C[C@@H]1CC[N@H+](CCOc2ccc(NC(=O)C[NH+]3[C@H](C)CC[C@@H]3C)cc2)C1 ZINC000470117911 502666295 /nfs/dbraw/zinc/66/62/95/502666295.db2.gz RBVMGDMJNOWRQZ-KURKYZTESA-N 2 0 359.514 3.219 20 0 FGADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N[C@@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC000484591103 502678756 /nfs/dbraw/zinc/67/87/56/502678756.db2.gz NGRLZIUBTWHFDP-LXZJYRNTSA-N 2 0 360.546 3.097 20 0 FGADRP O=C(C[NH2+][C@H]1CCCC[C@H]1c1ccccc1)NC1CC[NH+](C2CC2)CC1 ZINC000484609928 502681905 /nfs/dbraw/zinc/68/19/05/502681905.db2.gz BCTWYQJVMSPZGC-SFTDATJTSA-N 2 0 355.526 3.045 20 0 FGADRP C[NH+]1CCN(Cc2ccc(C[NH2+][C@H]3CCc4c3cccc4F)cc2)CC1 ZINC000480915201 502704277 /nfs/dbraw/zinc/70/42/77/502704277.db2.gz WTFVELHMOXVXQO-QFIPXVFZSA-N 2 0 353.485 3.350 20 0 FGADRP CC(C)[NH+](CCNC(=O)N[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)C(C)C ZINC000488555294 502749277 /nfs/dbraw/zinc/74/92/77/502749277.db2.gz GCMTZVHITZOZFC-FPOVZHCZSA-N 2 0 374.573 3.315 20 0 FGADRP CC(C)[C@@H](CNC(=O)c1ccc2c(c1)C[NH2+]C2)[N@@H+]1CCc2ccccc2C1 ZINC000470364450 502750503 /nfs/dbraw/zinc/75/05/03/502750503.db2.gz LLFDPWKVEUWXEL-JOCHJYFZSA-N 2 0 363.505 3.103 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)c1ccc2c(c1)C[NH2+]C2)c1cccc(OC)c1 ZINC000470366512 502751795 /nfs/dbraw/zinc/75/17/95/502751795.db2.gz XVNCRWPPJTXDAJ-OAQYLSRUSA-N 2 0 367.493 3.111 20 0 FGADRP CCN(C(=O)N[C@H](C)CC[NH+](C)C)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000474009944 502778539 /nfs/dbraw/zinc/77/85/39/502778539.db2.gz MPFPNZHFLJNAFV-WSTZPKSXSA-N 2 0 360.546 3.194 20 0 FGADRP CC[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000481192727 502779662 /nfs/dbraw/zinc/77/96/62/502779662.db2.gz QNLRVRXAULNEIS-NHCUHLMSSA-N 2 0 357.542 3.457 20 0 FGADRP CC(C)[NH+](CCCNC(=O)N[C@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1)C(C)C ZINC000470485319 502792314 /nfs/dbraw/zinc/79/23/14/502792314.db2.gz YETVCQBGBLHFRW-CEXWTWQISA-N 2 0 354.583 3.161 20 0 FGADRP C[C@H]([NH3+])[C@@H]1CC[N@H+](CCC(=O)N[C@@H](c2cccs2)c2ccccc2)C1 ZINC000484984288 502792876 /nfs/dbraw/zinc/79/28/76/502792876.db2.gz CHEUNDGWSJBUNY-XAUMDUMWSA-N 2 0 357.523 3.013 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)NCC[NH+](C)C1CCCC1 ZINC000489180986 502895262 /nfs/dbraw/zinc/89/52/62/502895262.db2.gz HDHYSQNELLOVOY-WIYYLYMNSA-N 2 0 372.557 3.071 20 0 FGADRP C[C@@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501025618 502915310 /nfs/dbraw/zinc/91/53/10/502915310.db2.gz ZKGGZFJGCSZWJR-OTWHNJEPSA-N 2 0 372.557 3.123 20 0 FGADRP Cc1ccc2c(CC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)coc2c1C ZINC000513409987 502930640 /nfs/dbraw/zinc/93/06/40/502930640.db2.gz BNLSNLZKEPQAMW-UHFFFAOYSA-N 2 0 373.541 3.324 20 0 FGADRP [NH3+][C@H](C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1)c1ccccc1 ZINC000497325755 502932456 /nfs/dbraw/zinc/93/24/56/502932456.db2.gz ILRSQLDIHWSLEE-VSKRKVRLSA-N 2 0 363.505 3.200 20 0 FGADRP CC[C@H](C)[NH2+][C@H](CNC(=O)N(C)[C@H](C)C1CC[NH+](C)CC1)c1ccco1 ZINC000509601130 502945374 /nfs/dbraw/zinc/94/53/74/502945374.db2.gz KFDJTIBMZRWAMK-LZLYRXPVSA-N 2 0 364.534 3.081 20 0 FGADRP CC(C)[C@@H](CNC(=O)NCCC[NH2+]C1CCCCC1)[NH+]1CCC(C)CC1 ZINC000501143393 502947871 /nfs/dbraw/zinc/94/78/71/502947871.db2.gz RLDFFOWCVDTSBC-HXUWFJFHSA-N 2 0 366.594 3.355 20 0 FGADRP C[C@@H]1C[C@@H](CC[NH2+]Cc2ccc(C(N)=O)cc2)C[N@@H+]1Cc1ccccc1 ZINC000513493715 502952398 /nfs/dbraw/zinc/95/23/98/502952398.db2.gz CGLMILIYUXBSGB-YLJYHZDGSA-N 2 0 351.494 3.176 20 0 FGADRP Cc1ccc([C@H](CNC(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)[NH+]2CCCC2)cc1 ZINC000489435626 502957386 /nfs/dbraw/zinc/95/73/86/502957386.db2.gz XDWAGBLONZVDTN-HKBOAZHASA-N 2 0 372.557 3.304 20 0 FGADRP O=C(NCC[NH+]1CCCCCC1)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000513523324 502958881 /nfs/dbraw/zinc/95/88/81/502958881.db2.gz ZOEXXKKFQCKJBM-LJQANCHMSA-N 2 0 361.505 3.030 20 0 FGADRP CCC[N@@H+]1CCC[C@H]1CNC(=O)NCC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC000497440488 502960865 /nfs/dbraw/zinc/96/08/65/502960865.db2.gz KVLIHLWYGWGEER-MJGOQNOKSA-N 2 0 360.546 3.289 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)CCC[NH+]2CCN(c3ccccc3)CC2)C[C@@H]1C ZINC000509664770 502961090 /nfs/dbraw/zinc/96/10/90/502961090.db2.gz IJWQSSICOSAUFO-UNMCSNQZSA-N 2 0 358.574 3.003 20 0 FGADRP C[C@H](NC(=O)NC[C@@H](c1cccs1)[NH+](C)C)[C@H](c1ccccc1)[NH+](C)C ZINC000505726877 502974010 /nfs/dbraw/zinc/97/40/10/502974010.db2.gz NWSMVJHKINHBFV-VDZJLULYSA-N 2 0 374.554 3.341 20 0 FGADRP C[NH+]1CCN(CCC[NH2+][C@H](c2cc3ccccc3o2)c2cccnc2)CC1 ZINC000497516211 502977534 /nfs/dbraw/zinc/97/75/34/502977534.db2.gz GRMBUEUXPZYYSZ-QFIPXVFZSA-N 2 0 364.493 3.144 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@H](C)Sc1ccccc1 ZINC000505760526 502980651 /nfs/dbraw/zinc/98/06/51/502980651.db2.gz TWRNUXRYQSCCPF-ROUUACIJSA-N 2 0 363.571 3.042 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc2c(s1)CCCC2 ZINC000505825026 502993376 /nfs/dbraw/zinc/99/33/76/502993376.db2.gz NXMYCDSTTDEPFB-QGZVFWFLSA-N 2 0 363.571 3.115 20 0 FGADRP C[C@@H](CNC(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1)[NH+]1CCCC[C@@H]1C ZINC000501489628 503019521 /nfs/dbraw/zinc/01/95/21/503019521.db2.gz GLSFPLARSOJEJD-QYZOEREBSA-N 2 0 352.567 3.061 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)NCCC[NH+]1CCCC[C@@H]1C ZINC000506056154 503037821 /nfs/dbraw/zinc/03/78/21/503037821.db2.gz RQAKALDVHWYPSE-SVFBPWRDSA-N 2 0 357.542 3.135 20 0 FGADRP CC[NH+](CC)Cc1ccc(CNC(=O)NCC[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000501573997 503041645 /nfs/dbraw/zinc/04/16/45/503041645.db2.gz AHBHEKHSVNKOKD-GOSISDBHSA-N 2 0 360.546 3.060 20 0 FGADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)NCCC[NH+](C)C2CCCCC2)C1 ZINC000501575500 503042603 /nfs/dbraw/zinc/04/26/03/503042603.db2.gz PLDHTFZIRMOPLN-LJQANCHMSA-N 2 0 366.594 3.452 20 0 FGADRP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@](C)(c3ccccc3)CC2)CC1 ZINC000510080295 503045120 /nfs/dbraw/zinc/04/51/20/503045120.db2.gz UPYWYIUSGBHJQS-QHCPKHFHSA-N 2 0 371.569 3.419 20 0 FGADRP Cc1ccccc1[C@H]([C@H](C)NC(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1)[NH+](C)C ZINC000497835709 503051165 /nfs/dbraw/zinc/05/11/65/503051165.db2.gz KEEDKSPZOZTHNG-WFXMLNOXSA-N 2 0 372.557 3.302 20 0 FGADRP CCC1(CNC(=O)N[C@@H](C)CC[NH+](C)C)CC[NH+](Cc2ccccc2)CC1 ZINC000514014013 503069015 /nfs/dbraw/zinc/06/90/15/503069015.db2.gz UHEQISJQTFCDHP-IBGZPJMESA-N 2 0 374.573 3.318 20 0 FGADRP C[C@@H](C(=O)N1c2ccccc2C[C@@H]1C)[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000501773730 503077018 /nfs/dbraw/zinc/07/70/18/503077018.db2.gz KTPPYVOJWFKJTE-ROUUACIJSA-N 2 0 357.542 3.407 20 0 FGADRP CCC[NH+]1CCC(CNC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)CC1 ZINC000490171629 503121987 /nfs/dbraw/zinc/12/19/87/503121987.db2.gz GHZIECOLGFPUAH-NQIIRXRSSA-N 2 0 372.557 3.071 20 0 FGADRP C[C@H](C(=O)NCc1ccccc1)N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000506473322 503121937 /nfs/dbraw/zinc/12/19/37/503121937.db2.gz XZILLKZGVUCUCN-SBHAEUEKSA-N 2 0 357.542 3.278 20 0 FGADRP CC[N@@H+]1C[C@@H](C)N(C(=O)NCC2CC[NH+](Cc3ccccc3)CC2)C[C@H]1C ZINC000498220606 503133698 /nfs/dbraw/zinc/13/36/98/503133698.db2.gz BCDHYHIDIHLTKT-RTBURBONSA-N 2 0 372.557 3.023 20 0 FGADRP CC[NH+](CC)CC1CC[NH+](Cc2cc(OC)c(OC)c(OC)c2)CC1 ZINC000506895307 503191300 /nfs/dbraw/zinc/19/13/00/503191300.db2.gz KFZCTGXJJLIVIE-UHFFFAOYSA-N 2 0 350.503 3.266 20 0 FGADRP C[N@H+](Cc1ccco1)Cc1ccccc1C[NH2+]C[C@@](C)(O)C(F)(F)F ZINC000514824983 503201946 /nfs/dbraw/zinc/20/19/46/503201946.db2.gz GBIRONYYBCPNNG-QGZVFWFLSA-N 2 0 356.388 3.315 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)COC2CCC([NH3+])CC2)cc1 ZINC000514859175 503212388 /nfs/dbraw/zinc/21/23/88/503212388.db2.gz ITWBSHMTDINQNS-PPDQVPDSSA-N 2 0 359.514 3.286 20 0 FGADRP C[NH+]1CCC2(CCCN2C(=O)NC2CC[NH+](C3CCCCC3)CC2)CC1 ZINC000510938866 503220973 /nfs/dbraw/zinc/22/09/73/503220973.db2.gz UVVWWGIASRQFCV-UHFFFAOYSA-N 2 0 362.562 3.053 20 0 FGADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@H]1C[C@@H]1c1ccccc1Cl ZINC000502574233 503229679 /nfs/dbraw/zinc/22/96/79/503229679.db2.gz YXSWETZYDPKOKP-MSOLQXFVSA-N 2 0 365.949 3.176 20 0 FGADRP O=C1C[C@H]([NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)[C@@H]2CCCCN12 ZINC000510999108 503232935 /nfs/dbraw/zinc/23/29/35/503232935.db2.gz ORCXAENYSFCWGU-YXIAPDDASA-N 2 0 367.537 3.030 20 0 FGADRP CC[NH+](CC)CCOCC[NH2+][C@@H]1CCc2ccc(Br)cc21 ZINC000511046583 503241642 /nfs/dbraw/zinc/24/16/42/503241642.db2.gz KXAAUDGLYFOGRN-QGZVFWFLSA-N 2 0 355.320 3.384 20 0 FGADRP CC[NH+](CC)CC1CCN(C(=O)NCCCC[NH+]2CCC(C)CC2)CC1 ZINC000502788083 503271839 /nfs/dbraw/zinc/27/18/39/503271839.db2.gz GFLIKWTWNFGNHO-UHFFFAOYSA-N 2 0 366.594 3.262 20 0 FGADRP CCCC[N@H+](C)CCNC(=O)N1CCC(C[NH+](C)Cc2ccccc2)CC1 ZINC000491095238 503272900 /nfs/dbraw/zinc/27/29/00/503272900.db2.gz YHYQULWUMYVDJY-UHFFFAOYSA-N 2 0 374.573 3.272 20 0 FGADRP CC1CC[NH+](C[C@H]2CCCN(C[C@@H](O)COc3ccccc3F)C2)CC1 ZINC000498858426 503277613 /nfs/dbraw/zinc/27/76/13/503277613.db2.gz UNGGFHHVKHKSPQ-RTBURBONSA-N 2 0 364.505 3.009 20 0 FGADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000502843323 503286452 /nfs/dbraw/zinc/28/64/52/503286452.db2.gz MFYLJUIHONPKNY-QUCCMNQESA-N 2 0 360.546 3.101 20 0 FGADRP CCC[C@H]([NH2+]C(C)C)C(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000498917845 503293138 /nfs/dbraw/zinc/29/31/38/503293138.db2.gz IHBWGIMBYBMSLD-RYRKJORJSA-N 2 0 351.560 3.414 20 0 FGADRP CCC[C@H]([NH2+]C(C)C)C(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000498917844 503293570 /nfs/dbraw/zinc/29/35/70/503293570.db2.gz IHBWGIMBYBMSLD-BQFCYCMXSA-N 2 0 351.560 3.414 20 0 FGADRP C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000507402784 503294236 /nfs/dbraw/zinc/29/42/36/503294236.db2.gz MUMDVGXLBQTCCB-MRXNPFEDSA-N 2 0 365.949 3.399 20 0 FGADRP COCCC[C@H](C)[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000515353072 503322633 /nfs/dbraw/zinc/32/26/33/503322633.db2.gz ACWAOZIYSWXJPY-PZJWPPBQSA-N 2 0 360.542 3.320 20 0 FGADRP CCCN(C(=O)NCC[NH+](C)C1CC1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000491837532 503333359 /nfs/dbraw/zinc/33/33/59/503333359.db2.gz LWLGERFHVQWFQI-NRFANRHFSA-N 2 0 372.557 3.167 20 0 FGADRP C[C@@H]1[C@@H](NC(=O)NCC(C)(C)C[NH+]2CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000503086533 503344388 /nfs/dbraw/zinc/34/43/88/503344388.db2.gz UUYJNTBCNBIVGO-QUCCMNQESA-N 2 0 372.557 3.071 20 0 FGADRP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCCC[C@@H]2Cc2ccccc2)CC1 ZINC000511631650 503357901 /nfs/dbraw/zinc/35/79/01/503357901.db2.gz VOFGEZSRHQGDGA-OAQYLSRUSA-N 2 0 357.542 3.073 20 0 FGADRP COC(=O)c1cccc(C[NH2+][C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000492510953 503372215 /nfs/dbraw/zinc/37/22/15/503372215.db2.gz AHVKGALECDPWCJ-LAUBAEHRSA-N 2 0 352.478 3.473 20 0 FGADRP Cc1ccccc1[C@H]([C@@H](C)NC(=O)N[C@H](C)C(C)(C)C[NH+](C)C)[NH+](C)C ZINC000499312228 503378564 /nfs/dbraw/zinc/37/85/64/503378564.db2.gz KFMSICABEJWWRG-LMMKCTJWSA-N 2 0 362.562 3.262 20 0 FGADRP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@@H]2CN(c3ccccn3)C[C@H]2C)C1 ZINC000511771220 503384319 /nfs/dbraw/zinc/38/43/19/503384319.db2.gz KQKLCQCAJWJBKJ-CEXWTWQISA-N 2 0 372.557 3.171 20 0 FGADRP C[NH+](C)[C@@H](CNC(=O)N1CC[NH+](CCC(C)(C)C)CC1)c1ccsc1 ZINC000515802506 503403487 /nfs/dbraw/zinc/40/34/87/503403487.db2.gz SOQNKRQWZNCEDL-KRWDZBQOSA-N 2 0 366.575 3.114 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)NCC1(C)CC[NH+](C)CC1)c1ccccc1 ZINC000508032778 503416778 /nfs/dbraw/zinc/41/67/78/503416778.db2.gz MQDLTHWMFLPJMD-LJQANCHMSA-N 2 0 360.546 3.101 20 0 FGADRP CC(C)C[C@H](C)C[NH+]1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000499570659 503434300 /nfs/dbraw/zinc/43/43/00/503434300.db2.gz AVNWIBIVLDJNIJ-IBGZPJMESA-N 2 0 351.579 3.373 20 0 FGADRP CCC[N@@H+]1CC[C@H](CNC(=O)N2C[C@H](C)[NH+](Cc3ccccc3)C[C@H]2C)C1 ZINC000499612171 503442661 /nfs/dbraw/zinc/44/26/61/503442661.db2.gz ZDPTVEJNGNIKKL-QKNQBKEWSA-N 2 0 372.557 3.023 20 0 FGADRP Cc1ccccc1[C@@H]([C@H](C)NC(=O)NCC[N@H+](C)C1CCCC1)[NH+](C)C ZINC000493866079 503450648 /nfs/dbraw/zinc/45/06/48/503450648.db2.gz ZOUJZWQVJNJMEG-FXAWDEMLSA-N 2 0 360.546 3.160 20 0 FGADRP C[NH+]1CCC(C[NH2+]C2CC(OCc3ccccc3)C2)(N2CCCCC2)CC1 ZINC000493883945 503452336 /nfs/dbraw/zinc/45/23/36/503452336.db2.gz UDUCAKSHQJRCOF-UHFFFAOYSA-N 2 0 371.569 3.274 20 0 FGADRP c1cc(OCC[NH+]2CCCC2)ccc1C[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000493979106 503469644 /nfs/dbraw/zinc/46/96/44/503469644.db2.gz WYCHMXZNFMBPGZ-QHAWAJNXSA-N 2 0 356.510 3.208 20 0 FGADRP C[C@@H]1CCCCC[N@@H+]1CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000512186139 503480732 /nfs/dbraw/zinc/48/07/32/503480732.db2.gz SYIRHVJOAVNNMI-QGZVFWFLSA-N 2 0 361.555 3.438 20 0 FGADRP CCCCCNC(=O)[C@@H](C)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000512235124 503493863 /nfs/dbraw/zinc/49/38/63/503493863.db2.gz ACSILUWIJDDJNP-DENIHFKCSA-N 2 0 357.542 3.279 20 0 FGADRP C[C@@H]([NH2+]Cc1ccc2c(c1)oc(=O)n2C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000512247386 503497367 /nfs/dbraw/zinc/49/73/67/503497367.db2.gz YPKBKVVUYOMAFX-APWZRJJASA-N 2 0 365.477 3.132 20 0 FGADRP CCCC[N@H+](C)CC1CC[NH+](CC(=O)N[C@H](C)Cc2ccccc2C)CC1 ZINC000512273323 503505174 /nfs/dbraw/zinc/50/51/74/503505174.db2.gz ZQFJCZGLMAWIGG-HXUWFJFHSA-N 2 0 373.585 3.486 20 0 FGADRP C[C@@H](C(=O)Nc1ccc(Br)cc1)N(C)CCC[NH+]1CCCC1 ZINC000499905844 503508050 /nfs/dbraw/zinc/50/80/50/503508050.db2.gz CUHUTMXSXVRSNU-AWEZNQCLSA-N 2 0 368.319 3.194 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccc(F)c(SC)c1 ZINC000499928607 503512748 /nfs/dbraw/zinc/51/27/48/503512748.db2.gz VXVVYVHIBXIOGQ-MRXNPFEDSA-N 2 0 367.534 3.036 20 0 FGADRP C[C@H](NC(=O)[C@H](C)[NH+]1CCC(CC[NH3+])CC1)c1ccc2ccccc2c1 ZINC000516479705 503517752 /nfs/dbraw/zinc/51/77/52/503517752.db2.gz ULWYRZROQNWVCE-IRXDYDNUSA-N 2 0 353.510 3.466 20 0 FGADRP C[NH+](C)C[C@H]1CC[N@H+](CCC(=O)N[C@H](c2cccs2)c2ccccc2)C1 ZINC000512318860 503518474 /nfs/dbraw/zinc/51/84/74/503518474.db2.gz TXSGKCWKRYNTPZ-UTKZUKDTSA-N 2 0 371.550 3.227 20 0 FGADRP Cc1ccc(-c2noc(CCC[N@@H+]3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)n2)cc1F ZINC000516570881 503539860 /nfs/dbraw/zinc/53/98/60/503539860.db2.gz ISCZWVHADFVSCG-ZWKOTPCHSA-N 2 0 372.488 3.438 20 0 FGADRP C[C@@H]1C[C@@H](CCNC(=O)N(C)CC[NH+]2CCCC2)C[N@@H+]1Cc1ccccc1 ZINC000512430986 503549009 /nfs/dbraw/zinc/54/90/09/503549009.db2.gz WIJKFYZVFNEYTI-TZIWHRDSSA-N 2 0 372.557 3.024 20 0 FGADRP C[C@@H](CNC(=O)NCc1cccc(C[NH+]2CCCC2)c1)[N@@H+]1CCCC[C@H]1C ZINC000500103641 503554865 /nfs/dbraw/zinc/55/48/65/503554865.db2.gz KNUBNJLGMXTZEV-MOPGFXCFSA-N 2 0 372.557 3.345 20 0 FGADRP O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000504325287 503556338 /nfs/dbraw/zinc/55/63/38/503556338.db2.gz OUWSMFPEHXITGM-NHCUHLMSSA-N 2 0 370.541 3.099 20 0 FGADRP Cc1ccccc1[C@H]([C@H](C)NC(=O)N1CC[C@@H]([NH+]2CCCCC2)C1)[NH+](C)C ZINC000508869452 503582997 /nfs/dbraw/zinc/58/29/97/503582997.db2.gz ICXBZRJUQHILGW-ZVDOUQERSA-N 2 0 372.557 3.256 20 0 FGADRP C[C@@H]1C[C@@H](CCNC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)C[NH+]1Cc1ccccc1 ZINC000512578291 503588819 /nfs/dbraw/zinc/58/88/19/503588819.db2.gz POJKTSWPOBQMFQ-RCLSDMTESA-N 2 0 357.542 3.276 20 0 FGADRP Cc1ccccc1[C@@H]([C@H](C)NC(=O)N1CCCC12CC[NH+](C)CC2)[NH+](C)C ZINC000508908434 503597115 /nfs/dbraw/zinc/59/71/15/503597115.db2.gz SLOFVZOENZZDTI-AZUAARDMSA-N 2 0 372.557 3.256 20 0 FGADRP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(C[NH2+][C@H]3CCC(=O)NC3(C)C)cc2)C1 ZINC000494890985 503630512 /nfs/dbraw/zinc/63/05/12/503630512.db2.gz OREUHRRJHIGNQN-HLIPFELVSA-N 2 0 357.542 3.311 20 0 FGADRP Cc1c([C@H](C)[NH2+][C@H](CN2CCN(C)CC2)c2ccccc2)cnn1C(C)C ZINC000527041801 503654808 /nfs/dbraw/zinc/65/48/08/503654808.db2.gz TUVSJSHYXUCMRD-PGRDOPGGSA-N 2 0 369.557 3.412 20 0 FGADRP C[C@H]1C[NH+](CCC2CC[NH+](Cc3ccc4[nH]cnc4c3)CC2)C[C@H](C)O1 ZINC000536710323 503692757 /nfs/dbraw/zinc/69/27/57/503692757.db2.gz QOWBLMZKAAUMTL-IRXDYDNUSA-N 2 0 356.514 3.274 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)NCc2ccc(C[NH+](C)C)cc2)C1 ZINC000517541678 503766420 /nfs/dbraw/zinc/76/64/20/503766420.db2.gz PKFMINWXBOPYHE-HDICACEKSA-N 2 0 374.573 3.304 20 0 FGADRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCC([NH+]3CCCCC3)CC2)C1 ZINC000517594858 503782274 /nfs/dbraw/zinc/78/22/74/503782274.db2.gz MVIZNZCJWDOHGA-GOSISDBHSA-N 2 0 364.578 3.157 20 0 FGADRP CC[N@H+](Cc1ccc(C(=O)NC[C@@H]2CC[NH+]2C2CCCC2)cc1)C1CC1 ZINC000530024029 503797781 /nfs/dbraw/zinc/79/77/81/503797781.db2.gz JPSQTVWPWINNEI-NRFANRHFSA-N 2 0 355.526 3.418 20 0 FGADRP O=C(NC[C@H]1CC[N@@H+]1C1CCCC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000530025172 503798999 /nfs/dbraw/zinc/79/89/99/503798999.db2.gz PFGGYTKEBOIKGP-OAQYLSRUSA-N 2 0 355.526 3.032 20 0 FGADRP CCC[NH+]1CCC([NH2+][C@H](CC)[C@@H](c2ccc(C)cc2)n2cncn2)CC1 ZINC000537094366 503800140 /nfs/dbraw/zinc/80/01/40/503800140.db2.gz BBWBBHJYPBIHIR-NHCUHLMSSA-N 2 0 355.530 3.419 20 0 FGADRP C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000543563762 503813120 /nfs/dbraw/zinc/81/31/20/503813120.db2.gz LAFRVXIHOLNVRV-QZTJIDSGSA-N 2 0 358.530 3.271 20 0 FGADRP CC(C)c1nc2c([nH]1)C[C@H](C(=O)N1CCN(C)C[C@H]1c1ccccc1)CC2 ZINC000527512440 503819115 /nfs/dbraw/zinc/81/91/15/503819115.db2.gz HTWTYYPUQSTNEL-XLIONFOSSA-N 2 0 366.509 3.153 20 0 FGADRP CCC[C@@H]1CN(C(=O)N[C@@H]2CC[NH+](C)[C@H](C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000540573281 503821581 /nfs/dbraw/zinc/82/15/81/503821581.db2.gz VUSULWKASODIKQ-HMXCVIKNSA-N 2 0 372.557 3.165 20 0 FGADRP C[NH+](C)CCOc1ccccc1C(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000517779517 503834671 /nfs/dbraw/zinc/83/46/71/503834671.db2.gz MSCZXWVMBHTKIO-UHFFFAOYSA-N 2 0 361.530 3.011 20 0 FGADRP COC(=O)c1ccc(C[NH2+]CC[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)o1 ZINC000540628418 503838119 /nfs/dbraw/zinc/83/81/19/503838119.db2.gz ZTEOYXWFCFMCLG-SJLPKXTDSA-N 2 0 356.466 3.457 20 0 FGADRP CCC1(CC)[C@H]([NH2+][C@@H](CN2CC[NH+](C)CC2)c2ccccc2)C[C@H]1OC ZINC000537295236 503872146 /nfs/dbraw/zinc/87/21/46/503872146.db2.gz KAFYESVPNXTHLL-PWRODBHTSA-N 2 0 359.558 3.158 20 0 FGADRP NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+][C@H]2CCC[C@H](c3ccccc3)CC2)C1 ZINC000527654865 503877940 /nfs/dbraw/zinc/87/79/40/503877940.db2.gz UTMYHLIPZQNSDS-HBMCJLEFSA-N 2 0 357.542 3.280 20 0 FGADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2CCCOc1ccc(Cl)cc1 ZINC000533539586 503881832 /nfs/dbraw/zinc/88/18/32/503881832.db2.gz INLQUBAOVUUBLJ-QRQLOZEOSA-N 2 0 352.906 3.292 20 0 FGADRP CC(C)Oc1cc(Cl)c(C[NH2+]CC2(O)CC[NH+](C)CC2)cc1Cl ZINC000527667895 503885279 /nfs/dbraw/zinc/88/52/79/503885279.db2.gz XYKLGYLBIMFEGY-UHFFFAOYSA-N 2 0 361.313 3.327 20 0 FGADRP CCO[C@@H]1C[C@H]([NH2+]Cc2ccccc2C[N@@H+]2CC[C@@H](O)C2)C1(CC)CC ZINC000543777248 503888209 /nfs/dbraw/zinc/88/82/09/503888209.db2.gz RMXQGTZDVVLEDS-QHAWAJNXSA-N 2 0 360.542 3.327 20 0 FGADRP Clc1ccc(OCCC[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)cc1 ZINC000530240369 503889558 /nfs/dbraw/zinc/88/95/58/503889558.db2.gz LEHIQZKBUBVOOP-IBGZPJMESA-N 2 0 352.906 3.199 20 0 FGADRP Fc1cc(-c2ccncc2)ccc1C[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530247901 503893491 /nfs/dbraw/zinc/89/34/91/503893491.db2.gz CQHPJCUBAXHCOQ-NRFANRHFSA-N 2 0 369.484 3.478 20 0 FGADRP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000518205928 503927534 /nfs/dbraw/zinc/92/75/34/503927534.db2.gz SLVJFKOTRWPCPR-DLBZAZTESA-N 2 0 366.575 3.305 20 0 FGADRP CCC[N@@H+]1CC[C@@H](CNC(=O)N2CCC(CCC[NH+](CC)CC)CC2)C1 ZINC000543906333 503937547 /nfs/dbraw/zinc/93/75/47/503937547.db2.gz GWJWQCCHYCIVNN-FQEVSTJZSA-N 2 0 366.594 3.262 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1Nc1cccc(OCC[NH+](C)C)c1 ZINC000537534149 503945110 /nfs/dbraw/zinc/94/51/10/503945110.db2.gz APIIUZWEFHUHKS-XMSQKQJNSA-N 2 0 368.525 3.345 20 0 FGADRP c1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH2+]CCOC[C@@H]4CCCO4)[C@@H]3C2)cc1 ZINC000540976268 503961755 /nfs/dbraw/zinc/96/17/55/503961755.db2.gz HFHBWMCCZUWKJE-KJJMTIBFSA-N 2 0 358.526 3.072 20 0 FGADRP COc1cc(C)nc(C[NH+]2CCC(CC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)c1 ZINC000533835963 503965787 /nfs/dbraw/zinc/96/57/87/503965787.db2.gz YGXRUWOVYSRGMT-QZTJIDSGSA-N 2 0 361.530 3.110 20 0 FGADRP CC[C@@H](CCc1ccccc1)[NH2+]Cc1cccnc1N1CC[NH+](C)CC1 ZINC000527856180 503974609 /nfs/dbraw/zinc/97/46/09/503974609.db2.gz XESMYJRUDGNWOQ-NRFANRHFSA-N 2 0 352.526 3.334 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cn(C)nc2-c2ccccc2)[C@@H](C)C1 ZINC000541176456 504032505 /nfs/dbraw/zinc/03/25/05/504032505.db2.gz CAGGGPQRTNCIFJ-RXVVDRJESA-N 2 0 370.541 3.314 20 0 FGADRP C[NH+]1CCN(c2ccc(C(F)(F)F)cc2C[NH2+][C@H]2CCCOCC2)CC1 ZINC000537767745 504033642 /nfs/dbraw/zinc/03/36/42/504033642.db2.gz PHIVRIOMHDPLRQ-KRWDZBQOSA-N 2 0 371.447 3.116 20 0 FGADRP COCC[NH+]1CCC(N[C@H](C[NH+](C)C)c2ccc(Cl)c(Cl)c2)CC1 ZINC000528006678 504036583 /nfs/dbraw/zinc/03/65/83/504036583.db2.gz FNRTZGXSVVUDHX-GOSISDBHSA-N 2 0 374.356 3.297 20 0 FGADRP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]CC(C)(C)C(=O)N2CCCC2)CC1 ZINC000528014508 504040371 /nfs/dbraw/zinc/04/03/71/504040371.db2.gz FCFNBOPWLVPSGS-LJQANCHMSA-N 2 0 371.569 3.320 20 0 FGADRP CCC[NH+]1CCC(C[NH2+]Cc2ccc(OC)c3oc(C(=O)OC)cc32)CC1 ZINC000530664683 504044721 /nfs/dbraw/zinc/04/47/21/504044721.db2.gz OVLACYMUQIBPSI-UHFFFAOYSA-N 2 0 374.481 3.440 20 0 FGADRP COC(=O)c1cc2c(o1)c(OC)ccc2C[NH2+]C[C@@H](C)C[NH+]1CCCCC1 ZINC000530664733 504044932 /nfs/dbraw/zinc/04/49/32/504044932.db2.gz VGVDXSLFUDEDQB-OAHLLOKOSA-N 2 0 374.481 3.440 20 0 FGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccccc2-c2cnn(C)c2)[C@H](C)C1 ZINC000537952500 504094678 /nfs/dbraw/zinc/09/46/78/504094678.db2.gz IDIWRWDVNMLYDT-XMSQKQJNSA-N 2 0 370.541 3.314 20 0 FGADRP CN(C)CC[NH+]1CCC(C[NH2+][C@@H](c2ccc(F)cc2)c2cccnc2)CC1 ZINC000544358047 504101316 /nfs/dbraw/zinc/10/13/16/504101316.db2.gz JAHKEUUDLLWWPV-QFIPXVFZSA-N 2 0 370.516 3.173 20 0 FGADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]Cc1ccccc1-c1cnn(C)c1 ZINC000541380073 504110355 /nfs/dbraw/zinc/11/03/55/504110355.db2.gz GFOMMBWYEYMBIN-UHFFFAOYSA-N 2 0 358.449 3.266 20 0 FGADRP C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)[C@@H](C)C1 ZINC000544381941 504110589 /nfs/dbraw/zinc/11/05/89/504110589.db2.gz LFCOIDFMGXIUSX-LVCYWYKZSA-N 2 0 357.542 3.427 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCc2ccc(F)c(F)c2F)[C@@H](C)C1 ZINC000544385302 504112711 /nfs/dbraw/zinc/11/27/11/504112711.db2.gz KCFDFVYZUBDXFB-YOEHRIQHSA-N 2 0 358.448 3.373 20 0 FGADRP COc1cc2c(cc1F)[nH+]ccc2N1CCC(C)([NH+]2CCOCC2)CC1 ZINC000528191958 504113752 /nfs/dbraw/zinc/11/37/52/504113752.db2.gz YQDJJPCXIZDSCQ-UHFFFAOYSA-N 2 0 359.445 3.074 20 0 FGADRP C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]CC[S@](=O)c1ccccc1 ZINC000547508902 504131281 /nfs/dbraw/zinc/13/12/81/504131281.db2.gz JSSXKJHBCPCBKC-QLWBXOBMSA-N 2 0 356.535 3.294 20 0 FGADRP CCC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)NC[C@@H]1CCC[NH+](CC)C1 ZINC000528306362 504161739 /nfs/dbraw/zinc/16/17/39/504161739.db2.gz GFDFHEMENSLUEX-BHDDXSALSA-N 2 0 371.569 3.383 20 0 FGADRP O[C@H](CCc1ccccc1)C[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000541535942 504167372 /nfs/dbraw/zinc/16/73/72/504167372.db2.gz YOGYWEQLKHGWHQ-JLLPCOHGSA-N 2 0 364.533 3.480 20 0 FGADRP C[NH+](C)[C@H](CNC(=O)N1CC[NH+](CC2CCCCC2)CC1)c1ccccc1 ZINC000519261912 504177171 /nfs/dbraw/zinc/17/71/71/504177171.db2.gz GMROCMCSBWQYBZ-OAQYLSRUSA-N 2 0 372.557 3.197 20 0 FGADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000519483982 504230726 /nfs/dbraw/zinc/23/07/26/504230726.db2.gz PHGPKERRXIFDFT-NHCUHLMSSA-N 2 0 372.557 3.215 20 0 FGADRP CC[C@@H]([NH2+]CCCC[NH+]1CCN(c2cccc(C)c2)CC1)c1ccn(C)n1 ZINC000541745531 504241649 /nfs/dbraw/zinc/24/16/49/504241649.db2.gz MEUDWQCRGXELSF-OAQYLSRUSA-N 2 0 369.557 3.372 20 0 FGADRP C[C@H]1C[NH+](CCOc2ccc(CC[NH2+]Cc3cccn3C)cc2)C[C@@H]1C ZINC000538454899 504250561 /nfs/dbraw/zinc/25/05/61/504250561.db2.gz UVGIUEKKBYTFHL-OALUTQOASA-N 2 0 355.526 3.324 20 0 FGADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC[C@H](CC(=O)NCc2ccc(F)cc2)C1 ZINC000519600747 504269833 /nfs/dbraw/zinc/26/98/33/504269833.db2.gz PPFMTCCLKOTYNL-UYAOXDASSA-N 2 0 361.505 3.028 20 0 FGADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](C[C@@H]2CCc3ccccc3C2)CC1 ZINC000541985745 504324322 /nfs/dbraw/zinc/32/43/22/504324322.db2.gz LRNSJJQXYIGLAT-QHAWAJNXSA-N 2 0 355.570 3.282 20 0 FGADRP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)Nc2ccc3c(c2)OCC[NH2+]C3)C1 ZINC000528712044 504343685 /nfs/dbraw/zinc/34/36/85/504343685.db2.gz BGFAAWONTSRNNF-INIZCTEOSA-N 2 0 374.529 3.191 20 0 FGADRP CN(CC[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000531596796 504359030 /nfs/dbraw/zinc/35/90/30/504359030.db2.gz USZPMLXKGRBKOZ-UHFFFAOYSA-N 2 0 366.553 3.443 20 0 FGADRP C[C@H]1O[C@@H](C)[C@@H]([NH2+]Cc2ccccc2C[NH2+][C@H]2[C@@H](C)O[C@@H](C)[C@@H]2C)[C@H]1C ZINC000528767395 504371189 /nfs/dbraw/zinc/37/11/89/504371189.db2.gz TYWPFDHAHQILCF-OPCWMWMRSA-N 2 0 360.542 3.490 20 0 FGADRP CN(c1ccccc1C[N@@H+]1CCC[C@H]2COCC[C@H]21)C1CC[NH+](C)CC1 ZINC000538792583 504372970 /nfs/dbraw/zinc/37/29/70/504372970.db2.gz ZPKOXRAMXWCHNQ-SIKLNZKXSA-N 2 0 357.542 3.218 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H](CO)Cc1ccc(F)cc1 ZINC000531696882 504395336 /nfs/dbraw/zinc/39/53/36/504395336.db2.gz AAMMSBHBZVAJJB-JZWVFAODSA-N 2 0 370.512 3.477 20 0 FGADRP CC[C@@H](C(=O)NC[C@H]1CCCCN1Cc1cccc(Cl)c1)[NH+](C)C ZINC000531709077 504398837 /nfs/dbraw/zinc/39/88/37/504398837.db2.gz DYDIOEPCKZQGPK-MSOLQXFVSA-N 2 0 351.922 3.151 20 0 FGADRP Cc1cc(C)c(CCNC(=O)C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)c(C)c1 ZINC000531899885 504464301 /nfs/dbraw/zinc/46/43/01/504464301.db2.gz NQLSFMKPTNRQIP-UHFFFAOYSA-N 2 0 373.585 3.323 20 0 FGADRP CC[N@H+](CCC1CC[NH+](CC(=O)N2CCC[C@H](C)C2)CC1)CC(C)C ZINC000539100399 504472621 /nfs/dbraw/zinc/47/26/21/504472621.db2.gz VWBPGCLUEQSKOJ-IBGZPJMESA-N 2 0 351.579 3.325 20 0 FGADRP C[C@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]CCc1ccc2c(c1)OCO2 ZINC000531943892 504481984 /nfs/dbraw/zinc/48/19/84/504481984.db2.gz VZTKRYXDGIPELD-PXNSSMCTSA-N 2 0 352.478 3.458 20 0 FGADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@H](Cc1cccnc1)c1ccc(Cl)cc1 ZINC000545457332 504493183 /nfs/dbraw/zinc/49/31/83/504493183.db2.gz HDMXADUGANGHRG-LAUBAEHRSA-N 2 0 372.944 3.244 20 0 FGADRP C[C@@H]1C[C@@H]([NH2+]CCNc2ncc(C(F)(F)F)cc2Cl)CC[N@@H+]1C ZINC000531977620 504493683 /nfs/dbraw/zinc/49/36/83/504493683.db2.gz FSHBUOPPMXWDEA-PWSUYJOCSA-N 2 0 350.816 3.238 20 0 FGADRP CC[NH+](CC)CC(=O)N1CC[NH+]([C@H](C)c2cccc3ccccc32)CC1 ZINC000520478707 504509545 /nfs/dbraw/zinc/50/95/45/504509545.db2.gz DCZYFCLBMJYNDT-GOSISDBHSA-N 2 0 353.510 3.387 20 0 FGADRP C[C@@H]([NH2+][C@@H](CN1CC[NH+](C)CC1)c1ccccc1)c1ccc2c(c1)COC2 ZINC000532214322 504575327 /nfs/dbraw/zinc/57/53/27/504575327.db2.gz KDGWMTXKSBVENX-JPYJTQIMSA-N 2 0 365.521 3.356 20 0 FGADRP C[C@@H](CC[NH+](C)C)[NH2+][C@@H](C)CC(=O)Nc1ccc(Br)cc1 ZINC000532218685 504576821 /nfs/dbraw/zinc/57/68/21/504576821.db2.gz JKZQOIIHUCBIFA-STQMWFEESA-N 2 0 356.308 3.096 20 0 FGADRP c1ccc(N2CC[NH+](CCCC[NH2+][C@@H]3[C@H]4CCO[C@@H]4C34CCC4)CC2)cc1 ZINC000539494971 504589093 /nfs/dbraw/zinc/58/90/93/504589093.db2.gz ATJZGMWAYALKJA-VSKRKVRLSA-N 2 0 369.553 3.136 20 0 FGADRP COC(=O)c1occc1C[NH2+]CC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000539528803 504599519 /nfs/dbraw/zinc/59/95/19/504599519.db2.gz RHGUQWBLNGANOE-SJLPKXTDSA-N 2 0 356.466 3.457 20 0 FGADRP CCn1ccnc1C[NH2+]C[C@@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000539564915 504609909 /nfs/dbraw/zinc/60/99/09/504609909.db2.gz CKXKVEOTKQDRQL-KBXCAEBGSA-N 2 0 350.869 3.478 20 0 FGADRP O=C(NCc1cccc(C[NH+]2CCCCCC2)c1)N[C@H]1CC[NH2+]C12CCC2 ZINC000529296745 504624878 /nfs/dbraw/zinc/62/48/78/504624878.db2.gz APJNDSPEXMLFOW-FQEVSTJZSA-N 2 0 370.541 3.146 20 0 FGADRP COc1cc(C)ccc1[C@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000542848355 504632983 /nfs/dbraw/zinc/63/29/83/504632983.db2.gz KNAQAKOTXSMDAK-FXAWDEMLSA-N 2 0 354.494 3.421 20 0 FGADRP C[C@@H]([NH2+]CCCC[NH+]1CCN(C)CC1)c1sccc1Br ZINC000532450967 504655135 /nfs/dbraw/zinc/65/51/35/504655135.db2.gz NQABSGHVSFYZHU-CYBMUJFWSA-N 2 0 360.365 3.189 20 0 FGADRP C[C@@H]([NH2+]Cc1ccccc1OCC[NH+](C)C)c1ccc2c(c1)CCC(=O)N2 ZINC000532464888 504659410 /nfs/dbraw/zinc/65/94/10/504659410.db2.gz BTFMOJDFPANYBM-MRXNPFEDSA-N 2 0 367.493 3.363 20 0 FGADRP CC1CC[NH+](CCc2cccc(NC(=O)NCC3CC[NH+](C)CC3)c2)CC1 ZINC000539873250 504723150 /nfs/dbraw/zinc/72/31/50/504723150.db2.gz GKLKOVKOSLMUIY-UHFFFAOYSA-N 2 0 372.557 3.424 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1)c1ccco1 ZINC000521487104 504746019 /nfs/dbraw/zinc/74/60/19/504746019.db2.gz VYXGAMJWPXZMHF-VQTJNVASSA-N 2 0 369.509 3.443 20 0 FGADRP CC(C)C[C@H](CNCc1c(Cl)cccc1N1CC[NH+](C)CC1)[NH+](C)C ZINC000539951696 504747199 /nfs/dbraw/zinc/74/71/99/504747199.db2.gz WRFKIVRIAZVBEH-QGZVFWFLSA-N 2 0 366.981 3.158 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N1CCC[C@H]1C[NH+]1CCCCC1)CC(C)C ZINC000521522320 504752707 /nfs/dbraw/zinc/75/27/07/504752707.db2.gz XZGVGXFNVZQILB-PMACEKPBSA-N 2 0 366.594 3.403 20 0 FGADRP CC[N@H+](CCC1CCN(C(=O)N[C@H]2CC[NH+](C)[C@H](C)C2)CC1)CC1CC1 ZINC000536584626 504765805 /nfs/dbraw/zinc/76/58/05/504765805.db2.gz VYZVCDWBWIYLKT-XLIONFOSSA-N 2 0 364.578 3.013 20 0 FGADRP CC[NH+](CC)CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)C[NH+](C)C ZINC000556012009 504777842 /nfs/dbraw/zinc/77/78/42/504777842.db2.gz MPXJGLXSSNFXSS-UHFFFAOYSA-N 2 0 360.329 3.225 20 0 FGADRP Cc1cc(C)n(-c2ccc(C[NH+]3CCC([C@@H]4OCCC[C@@H]4[NH3+])CC3)cc2)n1 ZINC000565044274 504779764 /nfs/dbraw/zinc/77/97/64/504779764.db2.gz QZROLYSUTHAGRG-VXKWHMMOSA-N 2 0 368.525 3.207 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)[C@H]2CCc3cncn3C2)cc1 ZINC000552981213 504797815 /nfs/dbraw/zinc/79/78/15/504797815.db2.gz HCLJUJCXLHBDHW-XLIONFOSSA-N 2 0 366.509 3.136 20 0 FGADRP Cc1cnccc1OC1CCN([C@@H](C(=O)NC2CC2)c2ccccc2)CC1 ZINC000562383073 504801762 /nfs/dbraw/zinc/80/17/62/504801762.db2.gz QZTDAACXQMTSID-OAQYLSRUSA-N 2 0 365.477 3.253 20 0 FGADRP Cc1ccc(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)c(-c2cnn(C)c2)c1 ZINC000549404608 504811959 /nfs/dbraw/zinc/81/19/59/504811959.db2.gz SHYLCWUJSWEVTE-ILWGZMRPSA-N 2 0 368.525 3.079 20 0 FGADRP CC[NH+](CC)CCOc1ccc(C(=O)N2C[C@H]([NH+]3CCCC3)C[C@@H]2C)cc1 ZINC000553098842 504827099 /nfs/dbraw/zinc/82/70/99/504827099.db2.gz ZKGDNFDWWBLOBC-AZUAARDMSA-N 2 0 373.541 3.106 20 0 FGADRP C[C@@H]1CC[C@H]([NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)[C@@H](n2cncn2)C1 ZINC000556243333 504827255 /nfs/dbraw/zinc/82/72/55/504827255.db2.gz BOZMGUBCYKWUEV-PBASOCQRSA-N 2 0 353.514 3.120 20 0 FGADRP C[C@@H](c1ccc(F)cc1)N1CC[C@@H]([NH+]2CCC(c3c[nH]cn3)CC2)C1=O ZINC000549526836 504842055 /nfs/dbraw/zinc/84/20/55/504842055.db2.gz ANNUBFDJCRDSKO-IFXJQAMLSA-N 2 0 356.445 3.090 20 0 FGADRP C[NH+](C)CCc1ccc(C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)cc1 ZINC000553177499 504845572 /nfs/dbraw/zinc/84/55/72/504845572.db2.gz FJKYJLNXHJLELZ-IBGZPJMESA-N 2 0 371.550 3.419 20 0 FGADRP O=C(NC1CCCCC1)N1CCC([NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)CC1 ZINC000565298639 504847448 /nfs/dbraw/zinc/84/74/48/504847448.db2.gz MREOQWXNLYYVJQ-VAMGGRTRSA-N 2 0 362.562 3.003 20 0 FGADRP O=C(C[NH2+][C@@H](c1ccc(F)cc1)C1CCCC1)NC1CC[NH+](C2CC2)CC1 ZINC000553258290 504865853 /nfs/dbraw/zinc/86/58/53/504865853.db2.gz KQPCZAGREGNXAH-JOCHJYFZSA-N 2 0 373.516 3.390 20 0 FGADRP C[C@H]1C[C@@H](CCNC(=O)C2CC[NH+](C3CC3)CC2)C[N@@H+]1Cc1ccccc1 ZINC000549646675 504867009 /nfs/dbraw/zinc/86/70/09/504867009.db2.gz IKVYHMFMLKXURH-AZUAARDMSA-N 2 0 369.553 3.278 20 0 FGADRP Clc1cccc(OCC[NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)c1Cl ZINC000565416069 504880766 /nfs/dbraw/zinc/88/07/66/504880766.db2.gz QMCYWERWXQVOST-AEGPPILISA-N 2 0 359.297 3.119 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1CCC(=O)NC[C@H]1CCC[NH+](Cc2cccs2)C1 ZINC000549750988 504888271 /nfs/dbraw/zinc/88/82/71/504888271.db2.gz PRLICOOXNFHFDP-QZTJIDSGSA-N 2 0 363.571 3.341 20 0 FGADRP Cc1cn2cc(NC(=O)N[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C)ccc2n1 ZINC000565445860 504888754 /nfs/dbraw/zinc/88/87/54/504888754.db2.gz TTWGAGCGMAOFTE-VQIMIIECSA-N 2 0 363.465 3.427 20 0 FGADRP CC[C@@H](C(=O)NCc1ccccc1C[NH+](C)C)[N@H+](C)Cc1ccccc1 ZINC000549772700 504893789 /nfs/dbraw/zinc/89/37/89/504893789.db2.gz ZSIJZAGKDRJSRL-NRFANRHFSA-N 2 0 353.510 3.275 20 0 FGADRP C[C@H]([NH3+])CCC(=O)N1CCC([N@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000565480102 504899959 /nfs/dbraw/zinc/89/99/59/504899959.db2.gz UAZQLKYXKNMVIB-AWEZNQCLSA-N 2 0 371.447 3.256 20 0 FGADRP [NH3+][C@H]1CCO[C@@H](C2CC[NH+](Cc3cccc(-c4ccccn4)c3)CC2)C1 ZINC000562751386 504933138 /nfs/dbraw/zinc/93/31/38/504933138.db2.gz OZCFXBWTHQUIMV-RBBKRZOGSA-N 2 0 351.494 3.467 20 0 FGADRP C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)c3ccc4c[nH+]cn4c3)cc2)C1 ZINC000550220897 504995557 /nfs/dbraw/zinc/99/55/57/504995557.db2.gz XWFDYQNVQYBMRI-QGZVFWFLSA-N 2 0 362.477 3.496 20 0 FGADRP COCc1ccccc1/C=C(/C)C[NH+]1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC000556866678 505000555 /nfs/dbraw/zinc/00/05/55/505000555.db2.gz GTUFFHNMOFUEHT-SILNSSARSA-N 2 0 371.569 3.196 20 0 FGADRP COc1ccc(C[NH+]2CCC(C[NH2+][C@@H]3CC[N@H+](C)[C@@H]4CCC[C@@H]43)CC2)cc1 ZINC000556870578 505001418 /nfs/dbraw/zinc/00/14/18/505001418.db2.gz GRHGWPKYRNRHIM-DNVJHFABSA-N 2 0 371.569 3.370 20 0 FGADRP C[NH2+]CCC1CC[NH+](Cc2csc(-c3cccc(C(=O)OC)c3)n2)CC1 ZINC000565834461 505001929 /nfs/dbraw/zinc/00/19/29/505001929.db2.gz QNLUHCVZZGZLNA-UHFFFAOYSA-N 2 0 373.522 3.418 20 0 FGADRP C[C@H]([NH2+]CCc1ccc(OCC[NH+]2C[C@H](C)[C@@H](C)C2)cc1)c1ncc[nH]1 ZINC000556886892 505006766 /nfs/dbraw/zinc/00/67/66/505006766.db2.gz PUONXEXFERFYTF-BZSNNMDCSA-N 2 0 356.514 3.270 20 0 FGADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]CCn3cc(Br)cn3)CC2)C1 ZINC000556924141 505018569 /nfs/dbraw/zinc/01/85/69/505018569.db2.gz HCVSLBGFPSJSCP-PBHICJAKSA-N 2 0 369.351 3.278 20 0 FGADRP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)N(C)CCC[NH+](C)Cc1ccco1 ZINC000553875664 505030290 /nfs/dbraw/zinc/03/02/90/505030290.db2.gz KHQPRYNWRXHULS-HDICACEKSA-N 2 0 364.534 3.006 20 0 FGADRP Cc1cc(NC(=O)C[C@@H]2CCCC[C@@H]2[NH3+])ccc1OCC[NH+]1CCCC1 ZINC000563082773 505041878 /nfs/dbraw/zinc/04/18/78/505041878.db2.gz ODZFGNINHXSCPZ-HKUYNNGSSA-N 2 0 359.514 3.316 20 0 FGADRP C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)NC[C@@]3(C)CCC[NH2+]C3)cc2)C1 ZINC000557115944 505069415 /nfs/dbraw/zinc/06/94/15/505069415.db2.gz FDNJOJJXTPVAGD-GCJKJVERSA-N 2 0 372.557 3.107 20 0 FGADRP C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)NC[C@]3(C)CCC[NH2+]C3)cc2)C1 ZINC000557115945 505069499 /nfs/dbraw/zinc/06/94/99/505069499.db2.gz FDNJOJJXTPVAGD-PGRDOPGGSA-N 2 0 372.557 3.107 20 0 FGADRP C[C@H]([NH2+]CC1([NH3+])C2CC3CC(C2)CC1C3)c1cccc(N2CCOCC2)c1 ZINC000566092173 505077528 /nfs/dbraw/zinc/07/75/28/505077528.db2.gz QCQQPRAHTXQRCL-WZCXMZMXSA-N 2 0 369.553 3.327 20 0 FGADRP C[N@@H+]1CC[C@@H](NCC2([NH+]3CCCCC3)CCOCC2)C[C@H]1c1ccccc1 ZINC000550700349 505086605 /nfs/dbraw/zinc/08/66/05/505086605.db2.gz GASOQRJJKYWSGV-YADHBBJMSA-N 2 0 371.569 3.447 20 0 FGADRP Cc1ccc(NC(=O)CN2CCN(c3cc[nH+]c4ccccc43)CC2)cc1 ZINC000554186579 505112546 /nfs/dbraw/zinc/11/25/46/505112546.db2.gz GTKFGHCUZNYLES-UHFFFAOYSA-N 2 0 360.461 3.304 20 0 FGADRP NC(=O)C1CCC([NH2+][C@@H]2CCCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000560521585 505113043 /nfs/dbraw/zinc/11/30/43/505113043.db2.gz VZKCIKQXCAQOAT-DHCGTZGXSA-N 2 0 369.553 3.311 20 0 FGADRP Cn1cncc1CCC[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000563350930 505117543 /nfs/dbraw/zinc/11/75/43/505117543.db2.gz UQDXCUYFMJTIBZ-QFIPXVFZSA-N 2 0 352.526 3.341 20 0 FGADRP Cc1cc(C)c([C@H](C)[N@@H+]2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)c(C)c1 ZINC000566244287 505121629 /nfs/dbraw/zinc/12/16/29/505121629.db2.gz QLUZZZJKGMUDKZ-SLFFLAALSA-N 2 0 357.542 3.253 20 0 FGADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000557419534 505129751 /nfs/dbraw/zinc/12/97/51/505129751.db2.gz MMMHXKGDLLUOIA-CTNGQTDRSA-N 2 0 357.542 3.137 20 0 FGADRP C[C@H](CN1CCC(C)CC1)[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000563443848 505143377 /nfs/dbraw/zinc/14/33/77/505143377.db2.gz WYFYVAKQRXRJNZ-HXUWFJFHSA-N 2 0 372.601 3.427 20 0 FGADRP CCN(CC[NH+]1CCCCCC1)C(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000554449092 505176613 /nfs/dbraw/zinc/17/66/13/505176613.db2.gz ACVHVCJDHDQKOK-HXUWFJFHSA-N 2 0 360.546 3.197 20 0 FGADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000560781602 505185047 /nfs/dbraw/zinc/18/50/47/505185047.db2.gz FLUZQBYCAOKYSA-ROUUACIJSA-N 2 0 358.530 3.019 20 0 FGADRP Cc1ccc(CNC(=O)c2cccc(C[NH2+][C@H]3CCC[C@H]([NH3+])C3)c2)cc1 ZINC000566482276 505187045 /nfs/dbraw/zinc/18/70/45/505187045.db2.gz MAMAZYPHVFTJPE-SFTDATJTSA-N 2 0 351.494 3.285 20 0 FGADRP CC(C)[NH+]1CCC(C(=O)N2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)CC1 ZINC000557637615 505189462 /nfs/dbraw/zinc/18/94/62/505189462.db2.gz FDDVPAMMGPTELZ-HSZRJFAPSA-N 2 0 369.553 3.231 20 0 FGADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000557643112 505191478 /nfs/dbraw/zinc/19/14/78/505191478.db2.gz DVEADCINZWGDHL-PGRDOPGGSA-N 2 0 357.542 3.278 20 0 FGADRP [NH3+][C@H]1CCO[C@@H](C2CC[NH+](Cc3c[nH]nc3-c3ccc(Cl)cc3)CC2)C1 ZINC000563607654 505191619 /nfs/dbraw/zinc/19/16/19/505191619.db2.gz CABFWGIYCKSAIT-RBUKOAKNSA-N 2 0 374.916 3.448 20 0 FGADRP CCOc1cc2[nH+]ccc(NC[C@@H]3CC[N@@H+](C4CC4)C3)c2cc1OCC ZINC000554523100 505196127 /nfs/dbraw/zinc/19/61/27/505196127.db2.gz IHUZCNFPGXLTLC-HNNXBMFYSA-N 2 0 355.482 3.350 20 0 FGADRP O=C(NC[C@@H]1CCC[N@H+](CC[C@@H]2CCC[NH2+]C2)C1)Nc1cccc(F)c1 ZINC000563664697 505204729 /nfs/dbraw/zinc/20/47/29/505204729.db2.gz AEHLSBKNZBTNSM-IRXDYDNUSA-N 2 0 362.493 3.049 20 0 FGADRP C[C@@H]1C[C@@H](C[N@@H+]2C[C@H]3CCC[C@@]3(c3nc(-c4ccccc4)no3)C2)CC[NH2+]1 ZINC000560965872 505217323 /nfs/dbraw/zinc/21/73/23/505217323.db2.gz DJGFNSOJMBADBP-ZRAXVTTISA-N 2 0 366.509 3.478 20 0 FGADRP C[NH+](C)CCCCC(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000561015097 505230388 /nfs/dbraw/zinc/23/03/88/505230388.db2.gz KLTHSSPDFZBIDU-UHFFFAOYSA-N 2 0 365.949 3.400 20 0 FGADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)N2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)C1 ZINC000557812182 505236292 /nfs/dbraw/zinc/23/62/92/505236292.db2.gz NEWZPNJSDXZUNU-YHELAOLJSA-N 2 0 370.541 3.090 20 0 FGADRP Cc1nc(NC2CCC([NH+](C)C)CC2)cc(NC2CCC([NH+](C)C)CC2)[nH+]1 ZINC000563833587 505252180 /nfs/dbraw/zinc/25/21/80/505252180.db2.gz VIPGVXDUHHKJED-UHFFFAOYSA-N 3 0 374.577 3.354 20 0 FGADRP CCC[NH+]1CCC(N(C)C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1 ZINC000551699019 505285593 /nfs/dbraw/zinc/28/55/93/505285593.db2.gz JJZZANMMRZTRRH-JOCHJYFZSA-N 2 0 359.558 3.084 20 0 FGADRP COc1cccc([C@H](CNC(=O)C(C)(C)[C@H]([NH3+])c2ccccc2)[NH+](C)C)c1 ZINC000563954626 505287851 /nfs/dbraw/zinc/28/78/51/505287851.db2.gz MNLZOLNFHJMPRP-VQTJNVASSA-N 2 0 369.509 3.140 20 0 FGADRP C[C@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2)[C@@]1(C)CCCO1 ZINC000566870583 505296677 /nfs/dbraw/zinc/29/66/77/505296677.db2.gz ZTFBSBJWWCDUMD-ILWGZMRPSA-N 2 0 372.553 3.462 20 0 FGADRP Cc1cccc(-c2n[nH]cc2C[NH2+]Cc2ccncc2OCC[NH+](C)C)c1 ZINC000564118004 505329857 /nfs/dbraw/zinc/32/98/57/505329857.db2.gz AFLOMROBDKHCSG-UHFFFAOYSA-N 2 0 365.481 3.010 20 0 FGADRP C[C@H](c1ccc(Br)cc1)[N@H+](C)CCCN(C)CC[NH+](C)C ZINC000564150389 505337800 /nfs/dbraw/zinc/33/78/00/505337800.db2.gz BCEDRLVCUPBZQZ-OAHLLOKOSA-N 2 0 356.352 3.325 20 0 FGADRP C[NH+](C)[C@@H](CNC(=O)c1ccc(C[NH+]2CCCC2)cc1)c1ccc(F)cc1 ZINC000555079503 505343483 /nfs/dbraw/zinc/34/34/83/505343483.db2.gz ZTALSUZVVRILMH-NRFANRHFSA-N 2 0 369.484 3.454 20 0 FGADRP C[C@H]1C[C@H](NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c2nccn21 ZINC000567076915 505356374 /nfs/dbraw/zinc/35/63/74/505356374.db2.gz LDMYUFRDNPSESN-NEPXVJNWSA-N 2 0 367.497 3.099 20 0 FGADRP CCc1noc(-c2ccc(CC[NH2+][C@@H]3CC[N@H+](C)[C@@H]4CCC[C@@H]43)cc2)n1 ZINC000552034768 505377049 /nfs/dbraw/zinc/37/70/49/505377049.db2.gz WLVWKKBLYYTZPN-GUDVDZBRSA-N 2 0 354.498 3.304 20 0 FGADRP CC[C@@H]([NH2+][C@H](C)CN1CC[NH+](C)CC1)c1ccc(OC(F)(F)F)cc1 ZINC000552044855 505380528 /nfs/dbraw/zinc/38/05/28/505380528.db2.gz PYNXWTOJTREYOE-RHSMWYFYSA-N 2 0 359.436 3.262 20 0 FGADRP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CSCCN2Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000552053978 505382479 /nfs/dbraw/zinc/38/24/79/505382479.db2.gz DMJFXZJOBZTTLU-ANULTFPQSA-N 2 0 359.583 3.066 20 0 FGADRP COC(=O)c1cccc(C[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC000558415962 505383188 /nfs/dbraw/zinc/38/31/88/505383188.db2.gz FSYVQRXQMQACKM-FDFHNCONSA-N 2 0 364.489 3.473 20 0 FGADRP COc1ccc(Cn2nc(C)c(C[N@H+](C)CCCn3ccnc3)c2C)cc1 ZINC000564322156 505383985 /nfs/dbraw/zinc/38/39/85/505383985.db2.gz CVMYWRDLRRZNHY-UHFFFAOYSA-N 2 0 367.497 3.275 20 0 FGADRP C[C@H](CCNC(=O)N1C[C@H]([NH+]2CCCC2)C[C@@H]1C)[N@H+](C)Cc1ccccc1 ZINC000561608812 505389820 /nfs/dbraw/zinc/38/98/20/505389820.db2.gz JUCIBILHSMPGDF-SVFBPWRDSA-N 2 0 372.557 3.165 20 0 FGADRP C[NH+](C)[C@@H](CNC(=O)[C@@H]1C[NH2+]C[C@H]1c1ccc(Cl)cc1)c1ccccc1 ZINC000564464338 505426749 /nfs/dbraw/zinc/42/67/49/505426749.db2.gz BSFFYEHJHDSALR-ZCNNSNEGSA-N 2 0 371.912 3.062 20 0 FGADRP CC[C@H]([NH2+]CCCN1CC[NH+](C)CC1)c1ccc(OC(F)(F)F)cc1 ZINC000552238769 505437281 /nfs/dbraw/zinc/43/72/81/505437281.db2.gz CCGJQQOIHQTEGL-KRWDZBQOSA-N 2 0 359.436 3.263 20 0 FGADRP CC[NH+](CC)CCCNC(=O)C1CC[NH+](Cc2ccsc2C)CC1 ZINC000552243787 505438977 /nfs/dbraw/zinc/43/89/77/505438977.db2.gz LAVWXZVOZIUFSW-UHFFFAOYSA-N 2 0 351.560 3.117 20 0 FGADRP CC1CC[NH+](C[C@H](O)C[NH2+]C2CCC([N@H+](C)Cc3ccccc3)CC2)CC1 ZINC000552249556 505440732 /nfs/dbraw/zinc/44/07/32/505440732.db2.gz CUPHALHMGJHWDR-XPPIMPSXSA-N 3 0 373.585 3.112 20 0 FGADRP CC[NH+]1CCC(CNC(=O)NC[C@]2(C)CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000555549726 505454145 /nfs/dbraw/zinc/45/41/45/505454145.db2.gz AGTGQUDMMNGGMK-QFIPXVFZSA-N 2 0 372.557 3.072 20 0 FGADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]CCn2cc(Br)cn2)CC1 ZINC000552335521 505464585 /nfs/dbraw/zinc/46/45/85/505464585.db2.gz VIXKPNXHVWXRAI-PBHICJAKSA-N 2 0 369.351 3.278 20 0 FGADRP Cn1ccc(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)c1 ZINC000555611854 505474628 /nfs/dbraw/zinc/47/46/28/505474628.db2.gz DTJDUEVUSPYKCT-OAQYLSRUSA-N 2 0 353.510 3.044 20 0 FGADRP CC[N@H+](CCC1CC[NH+](Cc2cc(C(N)=O)cs2)CC1)CC(C)C ZINC000561980425 505483895 /nfs/dbraw/zinc/48/38/95/505483895.db2.gz CPGABHSIPONHLO-UHFFFAOYSA-N 2 0 351.560 3.427 20 0 FGADRP COc1ccc(C[C@@H](C)[NH2+]CC2(SC)CC[NH+](C)CC2)c(C)c1OC ZINC000567525439 505487894 /nfs/dbraw/zinc/48/78/94/505487894.db2.gz PDRTZXYOGGSHGS-OAHLLOKOSA-N 2 0 366.571 3.360 20 0 FGADRP C[C@H]1C[N@H+](CCc2ccc(C(C)(C)C)cc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000564789356 505520724 /nfs/dbraw/zinc/52/07/24/505520724.db2.gz ABJYMYCBVGXUHW-SIKLNZKXSA-N 2 0 357.586 3.484 20 0 FGADRP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000564822680 505529779 /nfs/dbraw/zinc/52/97/79/505529779.db2.gz QFGNHBBRYVWBPN-XYJFISCASA-N 2 0 364.555 3.442 20 0 FGADRP Clc1cccc([C@@H]2CC[C@H]([NH2+]Cc3nnc(C4CC[NH2+]CC4)[nH]3)C2)c1 ZINC000564839762 505535042 /nfs/dbraw/zinc/53/50/42/505535042.db2.gz BPOSWFSJOQCPFR-WBVHZDCISA-N 2 0 359.905 3.351 20 0 FGADRP CCc1[nH+]c2ccccc2c(NC[C@@H](C)C[NH+]2CCN(CC)CC2)c1C ZINC000562240930 505549685 /nfs/dbraw/zinc/54/96/85/505549685.db2.gz NQMCHFGTZFTBQU-QGZVFWFLSA-N 2 0 354.542 3.213 20 0 FGADRP CC(C)(C)[NH+]1CCC([NH2+]C[C@@H](O)CO[C@@H]2CCCc3ccccc32)CC1 ZINC000567725671 505550264 /nfs/dbraw/zinc/55/02/64/505550264.db2.gz DXJRARZMLWXTPP-TZIWHRDSSA-N 2 0 360.542 3.294 20 0 FGADRP CC(C[NH+]1CCC[C@@H]1[C@@H]1CCCOC1)C[N@@H+]1CCC[C@@H]1[C@@H]1CCCOC1 ZINC000567790153 505563136 /nfs/dbraw/zinc/56/31/36/505563136.db2.gz QEEZJJOTWQOQGK-GXRSIYKFSA-N 2 0 364.574 3.405 20 0 FGADRP C[C@H](NC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1)c1ccc2ccccc2c1 ZINC000564987740 505565933 /nfs/dbraw/zinc/56/59/33/505565933.db2.gz HWXLQXUEUYWYHN-UCEGJLSESA-N 2 0 365.521 3.465 20 0 FGADRP C[C@@H](c1cc2ccccc2o1)N(C)C(=O)CN1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000567889750 505570166 /nfs/dbraw/zinc/57/01/66/505570166.db2.gz QJYSUIIGAZWDTN-KKSFZXQISA-N 2 0 355.482 3.028 20 0 FGADRP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)[C@@H]3CCCC[N@@H+]3C)cc2)C1 ZINC000599312389 506407734 /nfs/dbraw/zinc/40/77/34/506407734.db2.gz JIHFDNXNGTXPOX-OPYAIIAOSA-N 2 0 357.542 3.265 20 0 FGADRP [NH3+]C[C@@H](NC(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1)c1ccc2ccccc2c1 ZINC000582894728 506476944 /nfs/dbraw/zinc/47/69/44/506476944.db2.gz LZEUQJRQEYDIIA-LEWJYISDSA-N 2 0 366.509 3.156 20 0 FGADRP C[C@H](NC(=O)C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1)c1cccc2ccccc21 ZINC000582905852 506483526 /nfs/dbraw/zinc/48/35/26/506483526.db2.gz UKSIZDPLBXGLNA-OQRYQMPQSA-N 2 0 351.494 3.076 20 0 FGADRP CCC[NH+]1CCC(NC(=O)Nc2ccc(OCCC[NH+](C)C)cc2)CC1 ZINC000608301978 506499030 /nfs/dbraw/zinc/49/90/30/506499030.db2.gz AZBALNZCEJUNOS-UHFFFAOYSA-N 2 0 362.518 3.013 20 0 FGADRP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)C[N@H+](C)C3CCC3)cc2)C1 ZINC000608500657 506588616 /nfs/dbraw/zinc/58/86/16/506588616.db2.gz QGKVMERACPHEFG-QZTJIDSGSA-N 2 0 357.542 3.265 20 0 FGADRP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N1CC[C@@H]([NH+](C)Cc2ccccc2)C1 ZINC000608650978 506649169 /nfs/dbraw/zinc/64/91/69/506649169.db2.gz VQGCYZVBDSVRCQ-SFHLNBCPSA-N 2 0 372.557 3.023 20 0 FGADRP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)[C@H](C[NH+]2CCCC2)c2ccccc2)C1 ZINC000612720933 506706681 /nfs/dbraw/zinc/70/66/81/506706681.db2.gz ZKUDBDFMQYQMBW-RBBKRZOGSA-N 2 0 371.569 3.350 20 0 FGADRP [NH3+][C@@H]1CCO[C@H](C2CC[NH+](Cc3cccc(-c4ccncc4)c3)CC2)C1 ZINC000583310229 506710382 /nfs/dbraw/zinc/71/03/82/506710382.db2.gz WUHJILXZRRDORD-YADHBBJMSA-N 2 0 351.494 3.467 20 0 FGADRP CC[NH+](CC)CCCNC(=O)N[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000604156963 506729070 /nfs/dbraw/zinc/72/90/70/506729070.db2.gz LHMYKBALDNABEQ-FQEVSTJZSA-N 2 0 360.546 3.245 20 0 FGADRP CC[NH+](CC)[C@H](C)CNC(=O)N[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000604170890 506733992 /nfs/dbraw/zinc/73/39/92/506733992.db2.gz DRBKYUHAXNMWBT-QUCCMNQESA-N 2 0 360.546 3.243 20 0 FGADRP C[C@H](C[NH+]1CCCCC1)NC(=O)N[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000604170467 506734737 /nfs/dbraw/zinc/73/47/37/506734737.db2.gz CDNMUMKRSNZYPA-TZIWHRDSSA-N 2 0 372.557 3.387 20 0 FGADRP C[NH+](C)CC1CC[NH+](CC(=O)N(Cc2ccccc2)c2ccccc2)CC1 ZINC000590125096 506743300 /nfs/dbraw/zinc/74/33/00/506743300.db2.gz DOBLLNSPCUSKIQ-UHFFFAOYSA-N 2 0 365.521 3.493 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccc(-c2ccccc2)[nH]1 ZINC000600078537 506766997 /nfs/dbraw/zinc/76/69/97/506766997.db2.gz NFEKFTGZCGTRFR-LJQANCHMSA-N 2 0 368.525 3.170 20 0 FGADRP c1coc(COCc2cccc(C[NH2+][C@@H]3CCOC[C@H]3[C@@H]3CCC[NH2+]3)c2)c1 ZINC000583434799 506777745 /nfs/dbraw/zinc/77/77/45/506777745.db2.gz BCAYEWSBBSWMDF-FDFHNCONSA-N 2 0 370.493 3.243 20 0 FGADRP C[C@@H]([NH2+]Cc1nnc(C2CC[NH2+]CC2)[nH]1)[C@H](C)c1nc2ccccc2s1 ZINC000583625872 506884344 /nfs/dbraw/zinc/88/43/44/506884344.db2.gz QHZLCAJAYMFNDT-QWHCGFSZSA-N 2 0 370.526 3.163 20 0 FGADRP CC[NH+]1CCC(C[NH2+]Cc2csc(-c3ccc4c(c3)OCO4)n2)CC1 ZINC000583647445 506893917 /nfs/dbraw/zinc/89/39/17/506893917.db2.gz VWIWMOXSCOSWMR-UHFFFAOYSA-N 2 0 359.495 3.360 20 0 FGADRP Fc1ccc(-n2nc(CN3CC[C@@]4(C3)CCC[NH2+]C4)c3c2CCC3)cc1 ZINC000583693904 506920030 /nfs/dbraw/zinc/92/00/30/506920030.db2.gz OZFHKOJAXVJCQE-NRFANRHFSA-N 2 0 354.473 3.076 20 0 FGADRP C[NH+](C)CC[C@@H](NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1)C(C)(C)C ZINC000604727786 506920782 /nfs/dbraw/zinc/92/07/82/506920782.db2.gz KMNNISKDQATGCJ-WOJBJXKFSA-N 2 0 359.558 3.381 20 0 FGADRP CCc1ccc([C@@H](C)NC(=O)C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)cc1 ZINC000590786687 506954553 /nfs/dbraw/zinc/95/45/53/506954553.db2.gz MLOJUABMHXWJRD-GOSISDBHSA-N 2 0 359.558 3.478 20 0 FGADRP CC(C)[N@H+](C)CC1CC[NH+]([C@H](C)C(=O)NCc2ccccc2Cl)CC1 ZINC000590786774 506957060 /nfs/dbraw/zinc/95/70/60/506957060.db2.gz MEEQFIDHOSJFPV-MRXNPFEDSA-N 2 0 365.949 3.397 20 0 FGADRP CC(C)[N@H+](C)CC1CC[NH+](CC(=O)N(C)[C@@H](C)c2ccc(F)cc2)CC1 ZINC000590787101 506957300 /nfs/dbraw/zinc/95/73/00/506957300.db2.gz RVKUPEADHQHDOP-KRWDZBQOSA-N 2 0 363.521 3.397 20 0 FGADRP C[NH+](C)CC[C@H](NC(=O)N1CC[NH+](CCC(C)(C)C)CC1)C(C)(C)C ZINC000604827038 506958197 /nfs/dbraw/zinc/95/81/97/506958197.db2.gz KGCBZORIQVPMLA-KRWDZBQOSA-N 2 0 354.583 3.116 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)NCC[NH+]1[C@H](C)CCC[C@H]1C)c1ccco1 ZINC000594296477 507069538 /nfs/dbraw/zinc/06/95/38/507069538.db2.gz RVMFUDQOEKFBNZ-KZNAEPCWSA-N 2 0 364.534 3.225 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)NCC[NH+]1CCCCC1 ZINC000591073999 507101711 /nfs/dbraw/zinc/10/17/11/507101711.db2.gz WSHALGGFVVAUPB-LJQANCHMSA-N 2 0 373.541 3.156 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1CC)c1cccc(OC)c1 ZINC000591095397 507111154 /nfs/dbraw/zinc/11/11/54/507111154.db2.gz KCTYJTVZNQMCIY-VQTJNVASSA-N 2 0 361.530 3.069 20 0 FGADRP COc1cc(C)c([C@H](C)[NH2+]Cc2ccncc2OCC[NH+](C)C)cc1OC ZINC000584076620 507138722 /nfs/dbraw/zinc/13/87/22/507138722.db2.gz HDKUFSYLQGMINX-INIZCTEOSA-N 2 0 373.497 3.198 20 0 FGADRP c1ccc2c(c1)O[C@@]1(CC[NH2+]C1)C[C@@H]2[NH2+]Cc1ccc2c(c1)OCCCO2 ZINC000584166919 507190732 /nfs/dbraw/zinc/19/07/32/507190732.db2.gz QWOLEDGBKRNLIM-AVRDEDQJSA-N 2 0 366.461 3.193 20 0 FGADRP CC[NH+](CC)CCSCC(=O)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000610425863 507234200 /nfs/dbraw/zinc/23/42/00/507234200.db2.gz PBSUCIVXPWWJKL-UHFFFAOYSA-N 2 0 369.619 3.176 20 0 FGADRP Cc1ccccc1C[NH+]1CCCN(C(=O)NCC[N@@H+](C)C2CCCC2)CC1 ZINC000591417868 507243522 /nfs/dbraw/zinc/24/35/22/507243522.db2.gz QKLCASLIRUYZRX-UHFFFAOYSA-N 2 0 372.557 3.087 20 0 FGADRP COC(=O)COc1c(C)cc(C[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)cc1C ZINC000594735653 507261223 /nfs/dbraw/zinc/26/12/23/507261223.db2.gz MFHAYYRBCHOTAQ-FQEVSTJZSA-N 2 0 374.525 3.067 20 0 FGADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)C1 ZINC000591538417 507281965 /nfs/dbraw/zinc/28/19/65/507281965.db2.gz RDRNEMBBZHUVOM-CTNGQTDRSA-N 2 0 372.557 3.243 20 0 FGADRP CCc1ccc([C@@H](CNC(=O)NC[C@H](C(C)C)[NH+]2CCCC2)[NH+](C)C)cc1 ZINC000591541848 507283056 /nfs/dbraw/zinc/28/30/56/507283056.db2.gz OGYUQDVZWNNZRD-NHCUHLMSSA-N 2 0 374.573 3.271 20 0 FGADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N(CC[NH+](C)C)Cc1cccc(C)c1 ZINC000605988258 507319999 /nfs/dbraw/zinc/31/99/99/507319999.db2.gz JROCWPJBYMNJON-OAQYLSRUSA-N 2 0 374.573 3.333 20 0 FGADRP CC(C)C[C@H](C[NH2+]Cc1ccnn1-c1cc[nH+]cc1)C(=O)OC(C)(C)C ZINC000594949921 507328077 /nfs/dbraw/zinc/32/80/77/507328077.db2.gz IIFQKPFTUJNROQ-MRXNPFEDSA-N 2 0 358.486 3.361 20 0 FGADRP CN(C(=O)C1(c2ccccc2)CCCC1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000601472442 507370181 /nfs/dbraw/zinc/37/01/81/507370181.db2.gz KJAFIWGOHKIBSH-NRFANRHFSA-N 2 0 369.553 3.125 20 0 FGADRP COC(=O)CC1(C[N@H+](C)C[C@@H]2CC[NH+](Cc3ccc(C)s3)C2)CC1 ZINC000584533396 507397660 /nfs/dbraw/zinc/39/76/60/507397660.db2.gz YVDRJIYQYFACQK-INIZCTEOSA-N 2 0 350.528 3.154 20 0 FGADRP Cc1cc(C)cc(OC[C@H](O)C[NH2+]C2CC[NH+](C3CCCCC3)CC2)c1 ZINC000584715243 507467372 /nfs/dbraw/zinc/46/73/72/507467372.db2.gz NQUFAUARCISQIK-OAQYLSRUSA-N 2 0 360.542 3.430 20 0 FGADRP CN(c1ccccc1)c1ccc(C[N@@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)cn1 ZINC000584782182 507500768 /nfs/dbraw/zinc/50/07/68/507500768.db2.gz MSFAMNKLFNGBOW-IBGZPJMESA-N 2 0 366.509 3.037 20 0 FGADRP CC1CC[NH+](CCCNC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2)CC1 ZINC000607282904 507677746 /nfs/dbraw/zinc/67/77/46/507677746.db2.gz SKSRQGHQEDOLOZ-NRFANRHFSA-N 2 0 357.542 3.279 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)N[C@H]2CC[NH+](C3CCCC3)C2)C1 ZINC000592506011 507684697 /nfs/dbraw/zinc/68/46/97/507684697.db2.gz DBJPGUKPIGNRHG-KSZLIROESA-N 2 0 364.578 3.059 20 0 FGADRP COC(=O)[C@@H]1CCCC[C@@]1(C)[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000611526028 507723246 /nfs/dbraw/zinc/72/32/46/507723246.db2.gz ILKQNTTVQLECBO-RBBKRZOGSA-N 2 0 374.525 3.373 20 0 FGADRP COc1cccc([C@@H](C)[NH2+]CCN2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000390859561 568356280 /nfs/dbraw/zinc/35/62/80/568356280.db2.gz KVGPQNKTYWSALI-LJQANCHMSA-N 2 0 353.510 3.164 20 0 FGADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1cc2c(cccc2F)s1 ZINC000072651877 695961873 /nfs/dbraw/zinc/96/18/73/695961873.db2.gz KTPNXWYKHKMUOH-UHFFFAOYSA-N 2 0 365.518 3.386 20 0 FGADRP NC(=O)[C@H]1CCC[N@H+](CCC[NH2+][C@@H]2CCCCc3ccc(Cl)cc32)C1 ZINC000128076712 700770630 /nfs/dbraw/zinc/77/06/30/700770630.db2.gz OWVVMLYLHHAPKY-QFBILLFUSA-N 2 0 363.933 3.285 20 0 FGADRP CC[N@@H+]1CC[C@H]([NH2+]CC2(C)CCN(C(=O)OC(C)(C)C)CC2)[C@H](C)C1 ZINC000157161277 705145934 /nfs/dbraw/zinc/14/59/34/705145934.db2.gz MSBHZKVDFVSIBI-SJORKVTESA-N 2 0 353.551 3.344 20 0 FGADRP CC[N@@H+]1CC[C@@H]([NH2+]CC2(C)CCN(C(=O)OC(C)(C)C)CC2)[C@H](C)C1 ZINC000157161424 705146026 /nfs/dbraw/zinc/14/60/26/705146026.db2.gz MSBHZKVDFVSIBI-IAGOWNOFSA-N 2 0 353.551 3.344 20 0 FGADRP C[C@H]([NH2+][C@@H]1CCN(c2ccccc2Br)C1)C1CC[NH+](C)CC1 ZINC000162483474 705297222 /nfs/dbraw/zinc/29/72/22/705297222.db2.gz DFFAOUARECYXQD-GOEBONIOSA-N 2 0 366.347 3.348 20 0 FGADRP CC[NH+](CC)Cc1ccccc1CNC(=O)[C@H]([NH3+])c1cccc(Cl)c1 ZINC000163870114 705321474 /nfs/dbraw/zinc/32/14/74/705321474.db2.gz HPQHLBZGLPEBBZ-LJQANCHMSA-N 2 0 359.901 3.498 20 0 FGADRP C[NH+]1CCN(CCC(C)(C)[NH2+]Cc2ccc(F)c(C(F)(F)F)c2)CC1 ZINC000185894052 712704448 /nfs/dbraw/zinc/70/44/48/712704448.db2.gz HGXDZXVAVQGNFK-UHFFFAOYSA-N 2 0 361.427 3.350 20 0 FGADRP CCCC[N@H+](C)CC1CC[NH+](C[C@@H](O)COc2ccccc2F)CC1 ZINC000193971696 713506244 /nfs/dbraw/zinc/50/62/44/713506244.db2.gz JTGJXLMFKJCDMR-GOSISDBHSA-N 2 0 352.494 3.009 20 0 FGADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)[C@H](C)C1 ZINC000245420313 713604902 /nfs/dbraw/zinc/60/49/02/713604902.db2.gz HMENNNJJZLMANN-KURKYZTESA-N 2 0 353.551 3.296 20 0 FGADRP C[C@H](C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1)c1cccc(Cl)c1 ZINC000261955061 713716420 /nfs/dbraw/zinc/71/64/20/713716420.db2.gz OOKQXYYAKMGISX-GJYPPUQNSA-N 2 0 363.933 3.024 20 0 FGADRP Cc1nnc([C@@H](C)[NH2+]CCCCC[NH2+][C@@H](C)c2nnc(C)s2)s1 ZINC000273624939 713754300 /nfs/dbraw/zinc/75/43/00/713754300.db2.gz REVMAOZXRUCBAD-PHIMTYICSA-N 2 0 354.549 3.178 20 0 FGADRP CC(C)[NH+]1CCC([NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)CC2(C)C)CC1 ZINC000310621642 713800016 /nfs/dbraw/zinc/80/00/16/713800016.db2.gz NGPXGLNMRBGJAE-QGZVFWFLSA-N 2 0 353.551 3.484 20 0 FGADRP CCC[NH+]1CCC([NH2+]C[C@]2(C)CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000378954132 713975201 /nfs/dbraw/zinc/97/52/01/713975201.db2.gz RQZLTKWWTHCRSP-FQEVSTJZSA-N 2 0 353.551 3.488 20 0 FGADRP CC(C)[N@@H+]1CC[C@@H](C[NH2+][C@H](C)C[C@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000384462081 713982121 /nfs/dbraw/zinc/98/21/21/713982121.db2.gz BAXBERLKXYAXQN-FGTMMUONSA-N 2 0 353.551 3.484 20 0 FGADRP C[C@@H]([NH2+]CC1(C)CC[NH+](C)CC1)[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000386575512 713985349 /nfs/dbraw/zinc/98/53/49/713985349.db2.gz NBVNZIUUVCTGHL-SJORKVTESA-N 2 0 353.551 3.486 20 0 FGADRP C[C@@H]([NH2+]C[C@@H](O)COc1cc(Cl)ccc1Cl)C1CC[NH+](C)CC1 ZINC000396455815 713991286 /nfs/dbraw/zinc/99/12/86/713991286.db2.gz MQKYLGJTQARGAT-IUODEOHRSA-N 2 0 361.313 3.053 20 0 FGADRP CC[NH+]1CCC(N2CCC[N@H+](CCOC3CCCCCC3)CC2)CC1 ZINC000420979909 714011783 /nfs/dbraw/zinc/01/17/83/714011783.db2.gz LAJIUTPUUSYOCU-UHFFFAOYSA-N 2 0 351.579 3.218 20 0 FGADRP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)NC[C@H](C)C[NH+]1CCCCC1 ZINC000521786311 714148274 /nfs/dbraw/zinc/14/82/74/714148274.db2.gz ZHEMQPVXFNLWTH-OALUTQOASA-N 2 0 352.567 3.062 20 0 FGADRP CN1CCO[C@H]([C@H]([NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)c2ccc(Cl)cc2)C1 ZINC000643532345 718038146 /nfs/dbraw/zinc/03/81/46/718038146.db2.gz GCARWVXWDGINBW-CPLUKWAASA-N 2 0 365.949 3.066 20 0 FGADRP [NH3+]C[C@@H]1CC[C@H]([NH2+][C@H](c2ccc(Br)cc2)[C@H]2CCCO2)C1 ZINC000643542701 718038704 /nfs/dbraw/zinc/03/87/04/718038704.db2.gz DJMLNRCCNRQTBT-VJUNAUMWSA-N 2 0 353.304 3.386 20 0 FGADRP C[NH+]1CCN(c2cc(C[NH2+]Cc3csc(C(F)(F)F)c3)ccn2)CC1 ZINC000623359301 715318266 /nfs/dbraw/zinc/31/82/66/715318266.db2.gz LFIKVERLUWPTLE-UHFFFAOYSA-N 2 0 370.444 3.204 20 0 FGADRP C[N@@H+]1CC[C@H]([NH2+]C[C@H](O)COc2cccc(Cl)c2Cl)CC1(C)C ZINC000623377046 715321002 /nfs/dbraw/zinc/32/10/02/715321002.db2.gz LKNVSADIFAOSPT-STQMWFEESA-N 2 0 361.313 3.196 20 0 FGADRP C[C@H](C[NH2+][C@H]1CCCc2c3cc(Cl)ccc3[nH]c21)N1CC[NH+](C)CC1 ZINC000623888858 715424928 /nfs/dbraw/zinc/42/49/28/715424928.db2.gz WJDQRHBGMASQBJ-KUHUBIRLSA-N 2 0 360.933 3.424 20 0 FGADRP CN(C)c1nc(C[NH2+]CC2CC[NH+](C)CC2)c(Cl)n1-c1ccccc1 ZINC000802643057 724394077 /nfs/dbraw/zinc/39/40/77/724394077.db2.gz DMIJQFFVHLJMNZ-UHFFFAOYSA-N 2 0 361.921 3.023 20 0 FGADRP CCOC(=O)C(F)(F)[C@H]1CCC[C@H]([NH2+]C2CC[NH+](C3CCC3)CC2)C1 ZINC000779396792 724411559 /nfs/dbraw/zinc/41/15/59/724411559.db2.gz QKUPSWWUZHDUSN-HOCLYGCPSA-N 2 0 358.473 3.350 20 0 FGADRP CN1CCC([NH+]2CCC(CC[N@H+](C)C[C@]3(C)CCCS3)CC2)CC1 ZINC000628186430 716122156 /nfs/dbraw/zinc/12/21/56/716122156.db2.gz KKTDHABGOXKNRF-FQEVSTJZSA-N 3 0 353.620 3.400 20 0 FGADRP O[C@H](C[NH2+]C[C@H]1CCN1C1CCCCC1)COCc1ccccc1Cl ZINC000629609129 716321712 /nfs/dbraw/zinc/32/17/12/716321712.db2.gz WRXDJOWSMJNKGN-RTBURBONSA-N 2 0 366.933 3.214 20 0 FGADRP C[NH2+]CCOCC[N@H+](C)Cc1ccc(Br)cc1C(F)(F)F ZINC000629655506 716329905 /nfs/dbraw/zinc/32/99/05/716329905.db2.gz YHKITHRVGLWBPA-UHFFFAOYSA-N 2 0 369.225 3.136 20 0 FGADRP [NH3+]CCCOCC[NH2+]Cc1cccc(NC(=O)c2ccc(Cl)cc2)c1 ZINC000629659548 716332184 /nfs/dbraw/zinc/33/21/84/716332184.db2.gz BTDGZFRQFQRSFC-UHFFFAOYSA-N 2 0 361.873 3.047 20 0 FGADRP FC(F)(F)Cc1ccccc1C[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000631074370 716560475 /nfs/dbraw/zinc/56/04/75/716560475.db2.gz AZUVUENWZZKMJI-HNNXBMFYSA-N 2 0 356.432 3.382 20 0 FGADRP C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CC[NH+]2C2CCCC2)[C@H]1c1cccs1 ZINC000635602756 717180951 /nfs/dbraw/zinc/18/09/51/717180951.db2.gz JGCFTSQXWJPAAA-SUMDDJOVSA-N 2 0 361.555 3.264 20 0 FGADRP CC[NH2+]Cc1cccc(NC(=O)[C@@H]([NH3+])c2ccc(C(F)(F)F)cc2)c1 ZINC000637809104 717380554 /nfs/dbraw/zinc/38/05/54/717380554.db2.gz PSTNPDFQGWHIIN-INIZCTEOSA-N 2 0 351.372 3.453 20 0 FGADRP CC[N@H+](CCC1CC[NH+](C[C@H](OC)C2CCOCC2)CC1)CC1CC1 ZINC000638274189 717429522 /nfs/dbraw/zinc/42/95/22/717429522.db2.gz GRSNNOUNJXVLSD-NRFANRHFSA-N 2 0 352.563 3.262 20 0 FGADRP C[NH+](C)C[C@H](NC(=O)[C@@H]1CC12CC[NH2+]CC2)c1ccc(Cl)c(Cl)c1 ZINC000638665070 717473985 /nfs/dbraw/zinc/47/39/85/717473985.db2.gz ZKISEQMKCDMAKS-BBRMVZONSA-N 2 0 370.324 3.102 20 0 FGADRP CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)C[C@@H]1CCCC[C@@H]1[NH3+] ZINC000646254573 718273214 /nfs/dbraw/zinc/27/32/14/718273214.db2.gz JMIGYKKGCQKZRO-GJZGRUSLSA-N 2 0 351.457 3.017 20 0 FGADRP CC[NH+]1CCN(Cc2ccccc2C[NH2+]C2CCC(F)(F)CC2)CC1 ZINC000647172309 718337896 /nfs/dbraw/zinc/33/78/96/718337896.db2.gz RIILYZMPNKMKDR-UHFFFAOYSA-N 2 0 351.485 3.492 20 0 FGADRP C[C@H](Cc1ccc(F)c(Br)c1)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000647549820 718367221 /nfs/dbraw/zinc/36/72/21/718367221.db2.gz SLQOXVHKEXFIGO-NMFUWQPSSA-N 2 0 355.295 3.497 20 0 FGADRP C[C@H](C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)Oc1ccccc1Br ZINC000647789024 718377804 /nfs/dbraw/zinc/37/78/04/718377804.db2.gz WZPNFRPQKPQLSY-KBUPBQIOSA-N 2 0 353.304 3.194 20 0 FGADRP COc1cc(Br)ccc1[C@H](C)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000647795688 718378205 /nfs/dbraw/zinc/37/82/05/718378205.db2.gz UAIKKHXYBWFMJQ-KYEXWDHISA-N 2 0 353.304 3.496 20 0 FGADRP CSc1ccccc1NC(=O)[C@H](C)[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647975864 718390917 /nfs/dbraw/zinc/39/09/17/718390917.db2.gz HBJYRXWCUVRSIE-GVDBMIGSSA-N 2 0 361.555 3.447 20 0 FGADRP c1csc(-c2noc(CCC[N@@H+]3CCC[C@@H]([C@H]4CCC[NH2+]C4)C3)n2)c1 ZINC000647975656 718390997 /nfs/dbraw/zinc/39/09/97/718390997.db2.gz DDAIPNQFAKMEQP-JKSUJKDBSA-N 2 0 360.527 3.442 20 0 FGADRP [NH3+][C@H](C(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1)c1cccc(Cl)c1 ZINC000649320313 718503755 /nfs/dbraw/zinc/50/37/55/718503755.db2.gz VBNSVKQSVDSJDY-APWZRJJASA-N 2 0 363.933 3.454 20 0 FGADRP Clc1ccccc1OCCN1CC[NH+](CCCC2CC[NH2+]CC2)CC1 ZINC000649411308 718512362 /nfs/dbraw/zinc/51/23/62/718512362.db2.gz HAYPONYTTRYIPT-UHFFFAOYSA-N 2 0 365.949 3.116 20 0 FGADRP CC[N@H+](CCCNC(=O)NC[C@H]1CC[NH+](C(C)C)C1)C1CCCCC1 ZINC000650013246 718603327 /nfs/dbraw/zinc/60/33/27/718603327.db2.gz FNAHWLPVMZKFSD-GOSISDBHSA-N 2 0 352.567 3.061 20 0 FGADRP COc1cc(C[N@@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)cc(Cl)c1OC ZINC000650705365 718716413 /nfs/dbraw/zinc/71/64/13/718716413.db2.gz FKGVDJNUOKZWAV-ZMSDIMECSA-N 2 0 368.905 3.076 20 0 FGADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@H+](Cc3ccc(OCC(F)F)cc3)C2)C1 ZINC000650706089 718717028 /nfs/dbraw/zinc/71/70/28/718717028.db2.gz CYPJWLKNUDHWSB-JZXOWHBKSA-N 2 0 354.441 3.049 20 0 FGADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@@H+]2Cc2cc(Br)cs2)C1 ZINC000650722094 718719953 /nfs/dbraw/zinc/71/99/53/718719953.db2.gz KPAGCEJWMYUJFD-VHDGCEQUSA-N 2 0 359.333 3.371 20 0 FGADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2Cc2ccc(OCC(F)F)cc2)C1 ZINC000650723792 718721254 /nfs/dbraw/zinc/72/12/54/718721254.db2.gz UDLFVGMWTCTLRW-NJAFHUGGSA-N 2 0 354.441 3.191 20 0 FGADRP C[C@@H]([NH2+]CCC1CC[NH2+]CC1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000650763556 718724742 /nfs/dbraw/zinc/72/47/42/718724742.db2.gz DHPKQGVBJLNBRB-MRXNPFEDSA-N 2 0 364.555 3.443 20 0 FGADRP C[NH+]1CCC(N2CC[C@H]([NH2+][C@H]3CCc4ccc(F)c(Cl)c43)C2)CC1 ZINC000651709098 718853561 /nfs/dbraw/zinc/85/35/61/718853561.db2.gz KLXQTIHKHPIYQL-YOEHRIQHSA-N 2 0 351.897 3.225 20 0 FGADRP CC[N@H+](CCCN[C@H](C)c1ccc(S(N)(=O)=O)cc1)C1CCCCC1 ZINC000652237923 718925630 /nfs/dbraw/zinc/92/56/30/718925630.db2.gz LMGFNVWUBVEJFS-MRXNPFEDSA-N 2 0 367.559 3.029 20 0 FGADRP C[C@H](c1nc(-c2cccs2)no1)[N@@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652347790 718934675 /nfs/dbraw/zinc/93/46/75/718934675.db2.gz LTCZYQFQHYVKST-QPSCCSFWSA-N 2 0 362.499 3.077 20 0 FGADRP CSc1ccc(OCC[N@@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)cc1 ZINC000652348514 718935292 /nfs/dbraw/zinc/93/52/92/718935292.db2.gz GZLYHGVSGLYRSQ-TXPKVOOTSA-N 2 0 350.528 3.006 20 0 FGADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2CCCOc2ccc(Cl)cc2)C1 ZINC000652361835 718936857 /nfs/dbraw/zinc/93/68/57/718936857.db2.gz QMVOXWXJVXBCBI-NEWSRXKRSA-N 2 0 352.906 3.470 20 0 FGADRP COc1ccc(OCc2nc(C[NH2+]C[C@H]3C[C@@H]([NH+](C)C)C3)cs2)cc1 ZINC000655826540 719344807 /nfs/dbraw/zinc/34/48/07/719344807.db2.gz IBGDJZRJJLAGLY-FZNQNYSPSA-N 2 0 361.511 3.161 20 0 FGADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]CC2(c3cccc(Br)c3)CCOCC2)C1 ZINC000656197744 719373131 /nfs/dbraw/zinc/37/31/31/719373131.db2.gz GMDJKXIPFDTFGV-IAGOWNOFSA-N 2 0 367.331 3.357 20 0 FGADRP Brc1ccsc1C[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000657538117 719668273 /nfs/dbraw/zinc/66/82/73/719668273.db2.gz YMKJOLMEOADGOM-UHFFFAOYSA-N 2 0 373.360 3.491 20 0 FGADRP CC(C)[N@@H+](Cc1cccc(Br)c1)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662251093 720405376 /nfs/dbraw/zinc/40/53/76/720405376.db2.gz YOUNIVDGWJNCQN-MRXNPFEDSA-N 2 0 353.304 3.181 20 0 FGADRP Clc1ccc(SC2CC[NH+](C[C@@H]3CCC4(C[NH2+]C4)O3)CC2)cc1 ZINC000662278306 720408641 /nfs/dbraw/zinc/40/86/41/720408641.db2.gz FHIUQTCAOWZBRT-HNNXBMFYSA-N 2 0 352.931 3.418 20 0 FGADRP COc1cccc(SCC[N@@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)c1 ZINC000662285246 720409873 /nfs/dbraw/zinc/40/98/73/720409873.db2.gz IBRXUXQAGAPKJI-BXWFABGCSA-N 2 0 350.528 3.006 20 0 FGADRP Clc1ccc(-n2cc(C[N@@H+]3CCC[C@@H](C4CC[NH2+]CC4)C3)nn2)cc1 ZINC000662291942 720411051 /nfs/dbraw/zinc/41/10/51/720411051.db2.gz ATQWCPLGELOBHT-MRXNPFEDSA-N 2 0 359.905 3.132 20 0 FGADRP O=C(CC[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1)NCc1ccccc1Cl ZINC000662296497 720411497 /nfs/dbraw/zinc/41/14/97/720411497.db2.gz LCNFNWXVVZKYAU-SFHVURJKSA-N 2 0 363.933 3.058 20 0 FGADRP C[C@@H]1CCC[N@H+](Cc2nc(-c3ccc(F)c(F)c3)no2)[C@@H]1CCC[NH3+] ZINC000662317300 720414432 /nfs/dbraw/zinc/41/44/32/720414432.db2.gz PRKCZXCDSDRVSQ-MLGOLLRUSA-N 2 0 350.413 3.354 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)c1cc2c(s1)CC[NH2+]C2)c1ccsc1 ZINC000662384480 720423663 /nfs/dbraw/zinc/42/36/63/720423663.db2.gz PBYZWMTUDKMGNT-HNNXBMFYSA-N 2 0 363.552 3.268 20 0 FGADRP Clc1ccc(C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)c(-n2cncn2)c1 ZINC000663343827 720503150 /nfs/dbraw/zinc/50/31/50/720503150.db2.gz GEKPYMRSXUWRPU-MRXNPFEDSA-N 2 0 359.905 3.132 20 0 FGADRP CCOc1cc(C[NH2+]CC[C@@H]([NH3+])C(C)C)cc(Br)c1OC ZINC000663498096 720519974 /nfs/dbraw/zinc/51/99/74/720519974.db2.gz LDHBXWWSSHJZNW-CQSZACIVSA-N 2 0 359.308 3.319 20 0 FGADRP C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+][C@H]1CCC[NH2+]CC1 ZINC000666857783 720991525 /nfs/dbraw/zinc/99/15/25/720991525.db2.gz JGIDMUVNKMQJTH-OLZOCXBDSA-N 2 0 359.392 3.034 20 0 FGADRP Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000666953776 721004563 /nfs/dbraw/zinc/00/45/63/721004563.db2.gz HUEDJQKTRBITDF-IBGZPJMESA-N 2 0 358.917 3.433 20 0 FGADRP CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)Nc1cccc(C[NH3+])c1 ZINC000667726128 721165056 /nfs/dbraw/zinc/16/50/56/721165056.db2.gz LHNUTFLAOGWHGP-UHFFFAOYSA-N 2 0 360.424 3.273 20 0 FGADRP C[NH+](C)Cc1ccsc1C(=O)N1CC[C@H]([N@H+](C)Cc2ccccc2)C1 ZINC000674881030 721718907 /nfs/dbraw/zinc/71/89/07/721718907.db2.gz XFXCYILYMSKYRT-SFHVURJKSA-N 2 0 357.523 3.156 20 0 FGADRP C[C@H]1C[C@H]([NH2+][C@@H]2CCN(C3CC[NH+](C)CC3)C2)c2ccsc2S1 ZINC000675876619 721777384 /nfs/dbraw/zinc/77/73/84/721777384.db2.gz YDOBTTFGRVEUGA-VBQJREDUSA-N 2 0 351.585 3.432 20 0 FGADRP C[C@H]1C[NH+](CCOc2ccc(CC[NH2+]Cc3nccs3)cc2)C[C@@H]1C ZINC000678733352 721974864 /nfs/dbraw/zinc/97/48/64/721974864.db2.gz IOKNHPYNXBKQMR-IRXDYDNUSA-N 2 0 359.539 3.442 20 0 FGADRP FC(F)O[C@@H]1CCC[NH+](CCCC[N@H+]2CCC[C@@H](OC(F)F)C2)C1 ZINC000679680170 722040468 /nfs/dbraw/zinc/04/04/68/722040468.db2.gz XIRWAXYIEOAIAV-ZIAGYGMSSA-N 2 0 356.404 3.174 20 0 FGADRP Cc1nc(N2CCC[C@@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)cc(N(C)C)[nH+]1 ZINC001164992886 722192853 /nfs/dbraw/zinc/19/28/53/722192853.db2.gz BZHPYPCXGRVLQQ-OAQYLSRUSA-N 2 0 369.488 3.235 20 0 FGADRP C[NH+]1CCC(N2CC[C@H]([NH2+]CCCc3c(F)cccc3Cl)C2)CC1 ZINC000683704632 722306063 /nfs/dbraw/zinc/30/60/63/722306063.db2.gz COFMAZOONLWOJM-HNNXBMFYSA-N 2 0 353.913 3.170 20 0 FGADRP C[NH+](C)CCOc1ccc(C[NH2+]C[C@@]2(C)OCCc3sccc32)cc1 ZINC000685629313 722395890 /nfs/dbraw/zinc/39/58/90/722395890.db2.gz KEKRLWKVFJDYGH-HXUWFJFHSA-N 2 0 360.523 3.266 20 0 FGADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)C[C@@H]1C ZINC000740886770 722539183 /nfs/dbraw/zinc/53/91/83/722539183.db2.gz ZJKWFLWLJKLAGY-KSZLIROESA-N 2 0 353.551 3.438 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](C)c1ccc(C)s1 ZINC000745735860 722590036 /nfs/dbraw/zinc/59/00/36/722590036.db2.gz KFAKVJWAEGFIRJ-DLBZAZTESA-N 2 0 366.575 3.175 20 0 FGADRP CC[NH+](CC)CC1CC[NH+](Cc2cc3c(C)nn(C)c3nc2Cl)CC1 ZINC000750282148 722761227 /nfs/dbraw/zinc/76/12/27/722761227.db2.gz BHGQKXBTEZOJMS-UHFFFAOYSA-N 2 0 363.937 3.484 20 0 FGADRP C[NH+](C)CC1(C[NH2+]CC2CCN(C(=O)OC(C)(C)C)CC2)CCCC1 ZINC000759187151 723001078 /nfs/dbraw/zinc/00/10/78/723001078.db2.gz NHBURKYYWXEXCV-UHFFFAOYSA-N 2 0 353.551 3.345 20 0 FGADRP C[C@@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)c1cc(Cl)c(N)c(Cl)c1 ZINC000760157443 723040356 /nfs/dbraw/zinc/04/03/56/723040356.db2.gz DLVCDWXRULPYDY-GFCCVEGCSA-N 2 0 359.345 3.252 20 0 FGADRP Cn1c2ccc(C[NH2+]C3CCC([NH+]4CCCCC4)CC3)cc2sc1=O ZINC000793000644 723391647 /nfs/dbraw/zinc/39/16/47/723391647.db2.gz KPTZAYPOGUGVCN-UHFFFAOYSA-N 2 0 359.539 3.487 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@](C)(O)c2ccccc2Cl)[C@H](C)C1 ZINC000765806409 723542078 /nfs/dbraw/zinc/54/20/78/723542078.db2.gz CCFKJKYEGPYQBS-LSTHTHJFSA-N 2 0 368.949 3.274 20 0 FGADRP CC(C)(C)OC(=O)N1CC[C@H]2C[N@H+](CCC[NH+]3CCCCC3)CC[C@@H]21 ZINC000795126448 723565532 /nfs/dbraw/zinc/56/55/32/723565532.db2.gz WJRBJCJIGHDRSD-ROUUACIJSA-N 2 0 351.535 3.194 20 0 FGADRP C[C@@H](C[NH2+]C1CCC(CNC(=O)OC(C)(C)C)CC1)C[NH+]1CCCC1 ZINC000796265277 723629306 /nfs/dbraw/zinc/62/93/06/723629306.db2.gz GNOBFBISXFDKQV-AOCRQIFASA-N 2 0 353.551 3.391 20 0 FGADRP C[NH+](C)CC1CC[NH+](CCC2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000768301748 723653530 /nfs/dbraw/zinc/65/35/30/723653530.db2.gz KNEHYEWAUPMJKG-UHFFFAOYSA-N 2 0 353.551 3.297 20 0 FGADRP CC(C)(C)OC(=O)NC[C@@H]1CCC[C@H]1[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000774495521 723899745 /nfs/dbraw/zinc/89/97/45/723899745.db2.gz JFPRCQBAYGZGPB-FUHWJXTLSA-N 2 0 351.535 3.144 20 0 FGADRP Cc1cc(Br)cc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)c1 ZINC000774834712 723934269 /nfs/dbraw/zinc/93/42/69/723934269.db2.gz HKKYBMRGNLTZPE-UHFFFAOYSA-N 2 0 367.331 3.302 20 0 FGADRP CC(C)(C)OC(=O)Nc1ncc(C[NH2+]CC2CC[NH+](C3CC3)CC2)s1 ZINC000800269252 724173525 /nfs/dbraw/zinc/17/35/25/724173525.db2.gz JTKDMCJGHPKHNT-UHFFFAOYSA-N 2 0 366.531 3.454 20 0 FGADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1C[C@@H]2CCC[C@@H](NC(=O)OC(C)(C)C)[C@H]2C1 ZINC000784510064 724859946 /nfs/dbraw/zinc/85/99/46/724859946.db2.gz JIFAVBLTEUCOLC-XWTMOSNGSA-N 2 0 351.535 3.096 20 0 FGADRP C[NH+]1CCC(C[N@@H+]2CCO[C@@H](c3ccc(Br)cc3)C2)CC1 ZINC000788479631 725066769 /nfs/dbraw/zinc/06/67/69/725066769.db2.gz XUVWZTWGXAWWKK-QGZVFWFLSA-N 2 0 353.304 3.164 20 0 FGADRP C[NH+]1CCC(C[N@@H+]2CCO[C@H](c3ccc(Br)cc3)C2)CC1 ZINC000788479630 725066836 /nfs/dbraw/zinc/06/68/36/725066836.db2.gz XUVWZTWGXAWWKK-KRWDZBQOSA-N 2 0 353.304 3.164 20 0 FGADRP CC(C)[NH+]1CCC([NH2+][C@@H]2[C@H](C)CCN(C(=O)OC(C)(C)C)[C@H]2C)CC1 ZINC000809717488 725262118 /nfs/dbraw/zinc/26/21/18/725262118.db2.gz IRAKOVPRTKOSCC-SOLBZPMBSA-N 2 0 353.551 3.483 20 0 FGADRP C[C@@H]1C[N@@H+]([C@H]2CC[NH+]3CCC[C@@H]3C2)C[C@@]1(C)CNC(=O)OC(C)(C)C ZINC000810247736 725299619 /nfs/dbraw/zinc/29/96/19/725299619.db2.gz WKYCIAAFVXMNNO-PDOICOKGSA-N 2 0 351.535 3.096 20 0 FGADRP CCCC[N@H+](C)CC1CCN(C(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)CC1 ZINC000810417071 725306854 /nfs/dbraw/zinc/30/68/54/725306854.db2.gz DLHZBOROVYNDAL-FQEVSTJZSA-N 2 0 355.542 3.169 20 0 FGADRP C[C@@H]1C[C@H](C[NH2+]C2CCC([NH+](C)C)CC2)CCN1C(=O)OC(C)(C)C ZINC000817413915 727249049 /nfs/dbraw/zinc/24/90/49/727249049.db2.gz LYOBFFJNYHUFDH-MRLCAUJQSA-N 2 0 353.551 3.484 20 0 FGADRP C[NH+](C)C1CCC(NC(=O)NCCCCCCC[NH+]2CCCC2)CC1 ZINC000817778529 727283960 /nfs/dbraw/zinc/28/39/60/727283960.db2.gz VAXVNFFQBFLZIC-UHFFFAOYSA-N 2 0 352.567 3.205 20 0 FGADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C[C@H](O)c1ccccc1Br ZINC000817935903 727288681 /nfs/dbraw/zinc/28/86/81/727288681.db2.gz OVOOMLIPIAAEKE-KEYYUXOJSA-N 2 0 355.320 3.383 20 0 FGADRP C[C@@H]([NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1)c1ccc(Cl)nc1 ZINC000817983925 727290422 /nfs/dbraw/zinc/29/04/22/727290422.db2.gz LURMKSVFOBUBAP-MRXNPFEDSA-N 2 0 358.917 3.379 20 0 FGADRP C[C@H](C[NH2+]C[C@@](C)(O)c1ccc(Br)cc1F)C[NH+]1CCCC1 ZINC000818966005 727331756 /nfs/dbraw/zinc/33/17/56/727331756.db2.gz GPANXNPJXOWZFK-CXAGYDPISA-N 2 0 373.310 3.117 20 0 FGADRP C[NH+]1CCC(CC[NH2+]C[C@@](C)(O)c2ccc(Br)cc2F)CC1 ZINC000818989917 727335265 /nfs/dbraw/zinc/33/52/65/727335265.db2.gz RBNZYTSLAQEHFE-QGZVFWFLSA-N 2 0 373.310 3.117 20 0 FGADRP CC(C)C[N@@H+]1CC[C@@H](C[NH2+]C[C@H](O)c2ccccc2Br)C1 ZINC000819152585 727353133 /nfs/dbraw/zinc/35/31/33/727353133.db2.gz XFMZTLPYYUSROV-YOEHRIQHSA-N 2 0 355.320 3.050 20 0 FGADRP C[NH+](C)CC1CCC([NH2+]C[C@H](O)c2cccc(Br)c2)CC1 ZINC000819185404 727355772 /nfs/dbraw/zinc/35/57/72/727355772.db2.gz OHPIQQQSHCIIAD-IMRCBTMISA-N 2 0 355.320 3.193 20 0 FGADRP C[C@@H]1CC[C@@H]([NH2+]C2CC([NH+]3CCCCC3)C2)CN1C(=O)OC(C)(C)C ZINC000822476130 729179149 /nfs/dbraw/zinc/17/91/49/729179149.db2.gz HTVANHWQQSCOHR-MRLCAUJQSA-N 2 0 351.535 3.381 20 0 FGADRP C[N@H+](CC[C@@H]1CCCC[NH+]1C)C[C@@]12C[C@@H]1CN(C(=O)OC(C)(C)C)C2 ZINC000823465425 729283083 /nfs/dbraw/zinc/28/30/83/729283083.db2.gz YBXSPPPMZBIYIN-FUHIMQAGSA-N 2 0 351.535 3.050 20 0 FGADRP CCC[N@@H+]1CC[C@H](C[NH2+]C[C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)C1 ZINC000823699077 729299616 /nfs/dbraw/zinc/29/96/16/729299616.db2.gz ZUDPOVAXFHZTKF-RCCFBDPRSA-N 2 0 353.551 3.344 20 0 FGADRP CC[NH+]1CCC(C[NH2+]C[C@H]2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)CC1 ZINC000823813276 729305979 /nfs/dbraw/zinc/30/59/79/729305979.db2.gz YVFOWBLQROQPQQ-AEFFLSMTSA-N 2 0 353.551 3.344 20 0 FGADRP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)C[C@@H]([NH3+])c1cc(C)nc(Cl)c1 ZINC000828049288 729439221 /nfs/dbraw/zinc/43/92/21/729439221.db2.gz QPIFBAHEGVMNIG-DLBZAZTESA-N 2 0 366.937 3.204 20 0 FGADRP [NH3+]CCCCCCNC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000831094608 729617249 /nfs/dbraw/zinc/61/72/49/729617249.db2.gz NHGIZEPSVFZHDZ-GOSISDBHSA-N 2 0 366.937 3.295 20 0 FGADRP C[C@@H]([NH2+]C1CC[NH+](CC2CC2)CC1)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000834519400 729809596 /nfs/dbraw/zinc/80/95/96/729809596.db2.gz TYUUJJZTJSMEFF-QAPCUYQASA-N 2 0 351.535 3.238 20 0 FGADRP C[C@H]([NH2+]C1CC[NH+](CC2CC2)CC1)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000834519402 729809666 /nfs/dbraw/zinc/80/96/66/729809666.db2.gz TYUUJJZTJSMEFF-YJBOKZPZSA-N 2 0 351.535 3.238 20 0 FGADRP C[C@@H]([NH2+]CC1CC[NH+](C2CC2)CC1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000834787278 729834311 /nfs/dbraw/zinc/83/43/11/729834311.db2.gz JTYUOXUVSHIYBU-CRAIPNDOSA-N 2 0 351.535 3.238 20 0 FGADRP C[NH+](C)C[C@@H]1CN(Cc2cc3nc(Cl)ccc3s2)C[C@H]1C[NH+](C)C ZINC000877670620 736702573 /nfs/dbraw/zinc/70/25/73/736702573.db2.gz NRWCJDKSTOYESR-ZIAGYGMSSA-N 2 0 366.962 3.121 20 0 FGADRP C[NH+]1CCC(N2CCC([NH2+][C@H]3C[C@@H](OC(C)(C)C)C3(C)C)CC2)CC1 ZINC000840718866 730165714 /nfs/dbraw/zinc/16/57/14/730165714.db2.gz GMASYGMIADFQEO-RBUKOAKNSA-N 2 0 351.579 3.117 20 0 FGADRP COC(=O)c1cnc([C@@H](C)[NH2+]C2CCC([NH+]3CCCCC3)CC2)s1 ZINC000840723358 730166094 /nfs/dbraw/zinc/16/60/94/730166094.db2.gz AGJHKSQACKFACQ-WLYUNCDWSA-N 2 0 351.516 3.377 20 0 FGADRP Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000841079315 730208524 /nfs/dbraw/zinc/20/85/24/730208524.db2.gz LQFZAKMKSVRNHC-QGZVFWFLSA-N 2 0 362.880 3.264 20 0 FGADRP CCOC(=O)C(F)(F)[C@@H]1CC[C@@H]([NH2+][C@H](CCC[NH3+])c2ccccc2)C1 ZINC000841085853 730209157 /nfs/dbraw/zinc/20/91/57/730209157.db2.gz CPVGLPPXCMHZOO-BRWVUGGUSA-N 2 0 354.441 3.423 20 0 FGADRP CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H]([NH2+]C3CCC(C[NH3+])CC3)C[C@@H]2C1 ZINC000841102584 730211426 /nfs/dbraw/zinc/21/14/26/730211426.db2.gz FMNRZRJPRSJOJP-MWOZMSIYSA-N 2 0 351.535 3.129 20 0 FGADRP CCOC(=O)C(F)(F)[C@H]1CCC[C@H]([NH2+]Cc2ccc(C[NH3+])cc2F)C1 ZINC000844904628 730787485 /nfs/dbraw/zinc/78/74/85/730787485.db2.gz AHSDZYXVDLZNKF-GJZGRUSLSA-N 2 0 358.404 3.131 20 0 FGADRP C[C@H]1CCCC[N@@H+]1CCNC(=[NH2+])NCc1ccc(OC(F)(F)F)cc1 ZINC000849091097 731228049 /nfs/dbraw/zinc/22/80/49/731228049.db2.gz IZTAFVUQFFPQOH-ZDUSSCGKSA-N 2 0 358.408 3.074 20 0 FGADRP Clc1nccc(C[NH2+]CC2CC[NH+](C3CCOCC3)CC2)c1Cl ZINC000850344570 731344878 /nfs/dbraw/zinc/34/48/78/731344878.db2.gz NGLHVAQIFXLBEB-UHFFFAOYSA-N 2 0 358.313 3.369 20 0 FGADRP Cn1c(Cl)nc(Cl)c1C[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000850362607 731348171 /nfs/dbraw/zinc/34/81/71/731348171.db2.gz QIAKBYGSFOLLKN-UHFFFAOYSA-N 2 0 368.312 3.124 20 0 FGADRP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](CC[C@H]1CCN(C(=O)OC(C)(C)C)C1)C2 ZINC000852107749 731544285 /nfs/dbraw/zinc/54/42/85/731544285.db2.gz PVCWTWPKIDHXTE-FXAWDEMLSA-N 2 0 351.535 3.051 20 0 FGADRP CCOC(=O)C(F)(F)[C@@H]1CC[C@H]([NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)C1 ZINC000853239151 731686214 /nfs/dbraw/zinc/68/62/14/731686214.db2.gz BHDBEGVTDJWYPK-ZACQAIPSSA-N 2 0 358.473 3.065 20 0 FGADRP C[C@H]([NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000858119418 732182612 /nfs/dbraw/zinc/18/26/12/732182612.db2.gz PISIPXVCVHODFH-BBWFWOEESA-N 2 0 353.551 3.484 20 0 FGADRP C[N@@H+]1CCCC[C@H](C[NH2+]C[C@H](CC(F)(F)F)NC(=O)OC(C)(C)C)C1 ZINC000865641076 733243678 /nfs/dbraw/zinc/24/36/78/733243678.db2.gz SMCOCTUVRQTWBG-KGLIPLIRSA-N 2 0 367.456 3.154 20 0 FGADRP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]C[C@H]2CC3(CO2)CCOCC3)CC1 ZINC000866534626 733362550 /nfs/dbraw/zinc/36/25/50/733362550.db2.gz WUCVKEOMXKWXFT-MISYRCLQSA-N 2 0 350.547 3.205 20 0 FGADRP CN(C)Cc1cnc(C[N@@H+]2CCC[C@H](C[C@@H]([NH3+])C3CCCC3)C2)s1 ZINC000873231747 735740807 /nfs/dbraw/zinc/74/08/07/735740807.db2.gz DCCZCTPOWPYDBM-CRAIPNDOSA-N 2 0 350.576 3.324 20 0 FGADRP Clc1ccc2c(c1)OCCC[C@@H]2[NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873292543 735747208 /nfs/dbraw/zinc/74/72/08/735747208.db2.gz SXMHRDGLGLALFT-RDJZCZTQSA-N 2 0 350.890 3.302 20 0 FGADRP C[NH+]1CCC(N2CCC([NH2+]Cc3cc4c(ccnc4Cl)o3)CC2)CC1 ZINC000876992098 736172057 /nfs/dbraw/zinc/17/20/57/736172057.db2.gz LBGLWDPEJLZKIZ-UHFFFAOYSA-N 2 0 362.905 3.129 20 0 FGADRP CCOC(=O)N1CCC(C)(C[NH2+]C2CC[NH+](C3CCCC3)CC2)CC1 ZINC000877083740 736185670 /nfs/dbraw/zinc/18/56/70/736185670.db2.gz PEBNBFWCFBMOFM-UHFFFAOYSA-N 2 0 351.535 3.242 20 0 FGADRP C[NH+](C)C[C@@H]1CN(Cc2ccc(Cl)c3cccnc23)C[C@H]1C[NH+](C)C ZINC000877669560 736701861 /nfs/dbraw/zinc/70/18/61/736701861.db2.gz OLCQFDJPYKZVKL-IAGOWNOFSA-N 2 0 360.933 3.059 20 0 FGADRP C(=C\C[N@@H+]1CC[C@H](c2nccs2)C1)\C[NH+]1CC[C@H](c2nccs2)C1 ZINC000880319179 737154468 /nfs/dbraw/zinc/15/44/68/737154468.db2.gz CCPUHYXATKEPEP-GTVVJKOOSA-N 2 0 360.552 3.435 20 0 FGADRP CCC(F)(F)c1ccccc1NC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000880774854 737219516 /nfs/dbraw/zinc/21/95/16/737219516.db2.gz GLUBMPRIDUSPLI-UHFFFAOYSA-N 2 0 356.461 3.146 20 0 FGADRP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]C2CCC3(COC3)CC2)CC1 ZINC000883389739 737562128 /nfs/dbraw/zinc/56/21/28/737562128.db2.gz XFCHXZZUUSAMLW-UHFFFAOYSA-N 2 0 363.933 3.141 20 0 FGADRP COC(=O)N1CCC([C@H](C)[NH2+]C2CCC(C)([NH+]3CCCC3)CC2)CC1 ZINC000886594136 739273154 /nfs/dbraw/zinc/27/31/54/739273154.db2.gz GODBJUWVXHTDBN-VQSBYGRUSA-N 2 0 351.535 3.240 20 0 FGADRP C[C@H]1C[C@]2(CC[C@@H](C[NH2+]C3CC[NH+]([C@H]4CCC[C@@H](C)C4)CC3)O2)CO1 ZINC000886761965 739293740 /nfs/dbraw/zinc/29/37/40/739293740.db2.gz OFIVFKCPPNOIQA-GZSKETOLSA-N 2 0 350.547 3.346 20 0 FGADRP CC(C)[NH+]1CCC(N(C)C[C@H](CC(F)F)NC(=O)OC(C)(C)C)CC1 ZINC000893918388 742213267 /nfs/dbraw/zinc/21/32/67/742213267.db2.gz CPHRSJRUPMLSLL-AWEZNQCLSA-N 2 0 363.493 3.340 20 0 FGADRP C[NH+](C)CCOc1cc(C[NH2+]Cc2cc3c(cccc3O)s2)ccn1 ZINC000894412404 742279606 /nfs/dbraw/zinc/27/96/06/742279606.db2.gz DBVSEJCWYLZYSV-UHFFFAOYSA-N 2 0 357.479 3.232 20 0 FGADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@@H]2CC[N@@H+](C(C)C)C2)C[C@H]1C(F)(F)F ZINC000894454898 742285813 /nfs/dbraw/zinc/28/58/13/742285813.db2.gz BRVMVSOVWWYBPD-CAOSSQGBSA-N 2 0 364.452 3.217 20 0 FGADRP CS(=O)(=O)[C@@H]1CCC[C@H]([NH2+][C@H](CCCC[NH3+])c2ccc(F)cc2F)C1 ZINC000902345542 743734606 /nfs/dbraw/zinc/73/46/06/743734606.db2.gz DAQGXHAPWNKLRW-HDMKZQKVSA-N 2 0 374.497 3.080 20 0 FGADRP C[C@H]1CCC[C@@H]([NH+]2CCC([NH2+]CC3CCC(S(C)(=O)=O)CC3)CC2)C1 ZINC000903156629 743814347 /nfs/dbraw/zinc/81/43/47/743814347.db2.gz WIPQWNLIZNMUJE-AILXTGBUSA-N 2 0 370.603 3.223 20 0 FGADRP [NH3+][C@@H]1CC[C@H](C[NH+]2CCC(C(=O)Nc3ccc(F)c(Cl)c3)CC2)C1 ZINC000903437835 743851531 /nfs/dbraw/zinc/85/15/31/743851531.db2.gz NIBFTGXOPDFZMY-GXTWGEPZSA-N 2 0 353.869 3.257 20 0 FGADRP c1ccc2sc(C3CC[NH+](C[C@@H]4C[C@]5(CC[NH2+]C5)CO4)CC3)nc2c1 ZINC000903733246 743880024 /nfs/dbraw/zinc/88/00/24/743880024.db2.gz LIPWYGJDALPGTN-JXFKEZNVSA-N 2 0 357.523 3.244 20 0 FGADRP [NH3+]CC1(c2ccccc2)CC[NH+](Cc2cncc(Br)c2)CC1 ZINC000903792759 743884499 /nfs/dbraw/zinc/88/44/99/743884499.db2.gz IQPWYVHMXCEKRM-UHFFFAOYSA-N 2 0 360.299 3.337 20 0 FGADRP Cc1c(C[C@H](C[NH3+])C[N@H+]2CCS[C@H](C)[C@@H]2c2ccccc2)cnn1C ZINC000903894582 743893775 /nfs/dbraw/zinc/89/37/75/743893775.db2.gz ACTNNKBQHXJWPU-MBOZVWFJSA-N 2 0 358.555 3.025 20 0 FGADRP [NH3+][C@@H](CC(F)F)CN1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000903906804 743895308 /nfs/dbraw/zinc/89/53/08/743895308.db2.gz ZDKNARCAXOMYOC-HNNXBMFYSA-N 2 0 365.390 3.196 20 0 FGADRP C[C@@H](C[NH2+]Cc1cnnn1[C@@H]1CCC[NH2+]C1)c1c(Cl)cccc1Cl ZINC000903924463 743898096 /nfs/dbraw/zinc/89/80/96/743898096.db2.gz DHEVEIBCHOJRER-QWHCGFSZSA-N 2 0 368.312 3.403 20 0 FGADRP C[C@@H]1C[N@H+](Cc2cnnn2[C@H]2CCC[NH2+]C2)CCc2ccc(Cl)cc21 ZINC000903932828 743900490 /nfs/dbraw/zinc/90/04/90/743900490.db2.gz WECAQIZCLFNTDQ-PBHICJAKSA-N 2 0 359.905 3.018 20 0 FGADRP CC(C)(C)OC(=O)N1CCC[C@@H]([C@@H]2CCCC[N@@H+]2C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904371863 743949943 /nfs/dbraw/zinc/94/99/43/743949943.db2.gz VGFVTFVBZAKLEX-BDXSIMOUSA-N 2 0 351.535 3.225 20 0 FGADRP C[N@H+](CC(=O)Nc1cc(Cl)ccc1OC1CC[NH+](C)CC1)C1CCC1 ZINC000909378814 744358583 /nfs/dbraw/zinc/35/85/83/744358583.db2.gz OCIHZRUVVVTISV-UHFFFAOYSA-N 2 0 365.905 3.236 20 0 FGADRP CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1ccc(CSC(F)F)o1)C2 ZINC000922386757 758909035 /nfs/dbraw/zinc/90/90/35/758909035.db2.gz IHGWDKNHIQNPEE-XLMAVXFVSA-N 2 0 374.497 3.305 20 0 FGADRP CC(C)[C@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1ccc(Br)s1)C2 ZINC000922386807 758909204 /nfs/dbraw/zinc/90/92/04/758909204.db2.gz IRWZCYPOXMOFAU-XOUADPBQSA-N 2 0 373.360 3.080 20 0 FGADRP CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1ccccc1Br)C2 ZINC000922388792 758910072 /nfs/dbraw/zinc/91/00/72/758910072.db2.gz RGXGRDFFPRTWDK-ZJPYXAASSA-N 2 0 367.331 3.018 20 0 FGADRP Brc1ccc([C@H]2CCC[N@@H+]2C[C@H]2CC3(C[NH2+]C3)CO2)s1 ZINC000923375747 759108032 /nfs/dbraw/zinc/10/80/32/759108032.db2.gz DAFABLAMHHRLLV-VXGBXAGGSA-N 2 0 357.317 3.026 20 0 FGADRP [NH3+]CC[C@@H]1CC[N@H+](CC(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000923488555 759130585 /nfs/dbraw/zinc/13/05/85/759130585.db2.gz CEXJQFOSJHDXQY-CXAGYDPISA-N 2 0 370.324 3.328 20 0 FGADRP C[C@H]1C[N@H+](Cc2nc(-c3cccc(C(F)(F)F)c3)no2)CC[C@H]1C[NH3+] ZINC000923496371 759131927 /nfs/dbraw/zinc/13/19/27/759131927.db2.gz BPBWOQLDKYCFLX-AAEUAGOBSA-N 2 0 354.376 3.172 20 0 FGADRP C[NH+](C)Cc1ccc(NC(=O)CC2CC[NH+](C)CC2)cc1C(F)(F)F ZINC000924893630 759413531 /nfs/dbraw/zinc/41/35/31/759413531.db2.gz SWFIWVGDVWNLLF-UHFFFAOYSA-N 2 0 357.420 3.437 20 0 FGADRP C[C@@H]1CC2(CC([NH2+]Cc3c(Cl)cccc3N3CC[NH+](C)CC3)C2)CO1 ZINC000925182746 759460344 /nfs/dbraw/zinc/46/03/44/759460344.db2.gz HKRSOUXXIOZZBG-LSWWBPAMSA-N 2 0 363.933 3.139 20 0 FGADRP Brc1cnn(CCCC[NH2+][C@H]2CC[NH2+]C[C@H]2C2CCCC2)c1 ZINC000925653462 759517499 /nfs/dbraw/zinc/51/74/99/759517499.db2.gz LSTTUJOATDVLOY-IRXDYDNUSA-N 2 0 369.351 3.184 20 0 FGADRP CC1(C)[C@H](NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925662479 759519545 /nfs/dbraw/zinc/51/95/45/759519545.db2.gz IWPRTNXGXMMZLN-GADNRMJZSA-N 2 0 359.480 3.158 20 0 FGADRP CC[C@@H]([NH2+]CCN1CCC([NH3+])CC1)c1cc(F)cc(Br)c1 ZINC000925813903 759549501 /nfs/dbraw/zinc/54/95/01/759549501.db2.gz DJEOHPREYZMWRR-MRXNPFEDSA-N 2 0 358.299 3.052 20 0 FGADRP O=C(c1ccccc1Cl)N1CCC([NH2+]C[C@]23CCC[C@H]2[NH2+]CC3)CC1 ZINC000925843490 759556405 /nfs/dbraw/zinc/55/64/05/759556405.db2.gz OCDGOLJCVXMXCN-UYAOXDASSA-N 2 0 361.917 3.066 20 0 FGADRP C[C@@H]([NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1cc(Cl)sc1Cl ZINC000925857379 759561804 /nfs/dbraw/zinc/56/18/04/759561804.db2.gz VBLXTMIEFHJKBA-ZJUUUORDSA-N 2 0 363.310 3.391 20 0 FGADRP CC(C)CC[NH+]1CCC([NH2+]CC2CC(NC(=O)OC(C)(C)C)C2)CC1 ZINC000926834913 759830328 /nfs/dbraw/zinc/83/03/28/759830328.db2.gz UGYYHWMPLHCHIY-UHFFFAOYSA-N 2 0 353.551 3.390 20 0 FGADRP COC[C@H](C[N@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1)C(C)C ZINC000929810839 760461193 /nfs/dbraw/zinc/46/11/93/760461193.db2.gz YZEIZOOKBJFOLG-FQEVSTJZSA-N 2 0 353.595 3.033 20 0 FGADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)C2)[C@H](C)C1 ZINC000930001829 760509690 /nfs/dbraw/zinc/50/96/90/760509690.db2.gz WZFWANIRMFOQSF-BDXSIMOUSA-N 2 0 353.551 3.342 20 0 FGADRP C[C@@H]1[C@H](C(=O)N2CCC[C@H]2C[NH+](C)Cc2ccc(Cl)s2)CC[N@@H+]1C ZINC000960641899 762736639 /nfs/dbraw/zinc/73/66/39/762736639.db2.gz NXCUSSZYNXITPU-IJEWVQPXSA-N 2 0 369.962 3.165 20 0 FGADRP Cc1cc(Cl)ccc1C[NH2+]C1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC000996606353 765021449 /nfs/dbraw/zinc/02/14/49/765021449.db2.gz GHYAVWAFQFZBDF-DNVCBOLYSA-N 2 0 363.933 3.069 20 0 FGADRP CCC(CC)C[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC000997094603 765044542 /nfs/dbraw/zinc/04/45/42/765044542.db2.gz UKVURVBQRIZOGV-LSTHTHJFSA-N 2 0 351.579 3.370 20 0 FGADRP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCC[NH+](Cc3csc(C)c3)C2)CC[N@@H+]1C ZINC001023381590 766036126 /nfs/dbraw/zinc/03/61/26/766036126.db2.gz QKAYPUCTKFZJQJ-YTQUADARSA-N 2 0 363.571 3.115 20 0 FGADRP CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@H]1CC[N@H+](Cc2cccc(Cl)c2)C1 ZINC001033834387 766223612 /nfs/dbraw/zinc/22/36/12/766223612.db2.gz QDEMLRBLMGNIJD-AYOQOUSVSA-N 2 0 363.933 3.103 20 0 FGADRP Cc1cc(C[NH+]2CCCC[C@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)c(C)s1 ZINC001034219028 766234603 /nfs/dbraw/zinc/23/46/03/766234603.db2.gz JPRWPIKGWGAVQK-AYOQOUSVSA-N 2 0 363.571 3.176 20 0 FGADRP CC[C@@H]1[C@@H](C(=O)N2CCC([C@@H]3CC[NH+](C/C=C/Cl)C3)CC2)CC[N@@H+]1C ZINC001039133478 766292476 /nfs/dbraw/zinc/29/24/76/766292476.db2.gz SZBCUKCRMWYARK-CPOQYGTRSA-N 2 0 367.965 3.030 20 0 FGADRP C[C@@H]1[C@H](C(=O)NC2(C)CC[NH+](Cc3cccc(Cl)c3)CC2)CC[N@@H+]1C ZINC001045444973 766537738 /nfs/dbraw/zinc/53/77/38/766537738.db2.gz MYIYZYRWEBQISW-CRAIPNDOSA-N 2 0 363.933 3.151 20 0 FGADRP CC[C@@H]([NH2+]CCCN1CC[NH+](C)CC1)c1cccc(Br)c1 ZINC000037229181 257338023 /nfs/dbraw/zinc/33/80/23/257338023.db2.gz NVPYEBNHTFTKRH-QGZVFWFLSA-N 2 0 354.336 3.127 20 0 FGADRP C[C@@H]1C[C@H](NC(=O)[C@@](C)([NH3+])c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000248760205 257369711 /nfs/dbraw/zinc/36/97/11/257369711.db2.gz DJRUDMLDWULRNM-ZNLUXHQJSA-N 2 0 351.494 3.030 20 0 FGADRP O[C@H](C[NH2+]C1CC[NH+](C2CCC2)CC1)COc1ccc(Cl)cc1Cl ZINC000579701519 505605103 /nfs/dbraw/zinc/60/51/03/505605103.db2.gz IMNVFQHHYDIVSV-MRXNPFEDSA-N 2 0 373.324 3.340 20 0 FGADRP C[C@H](CC[NH2+][C@@H]1CCCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)[S@@](C)=O ZINC000568076885 505610683 /nfs/dbraw/zinc/61/06/83/505610683.db2.gz DGXGQLRDOBUUNE-PKPXASJOSA-N 2 0 362.583 3.424 20 0 FGADRP CCSCC[C@H](C)N(C)C(=O)C1CC[NH+](C2CCN(CC)CC2)CC1 ZINC000568106662 505617718 /nfs/dbraw/zinc/61/77/18/505617718.db2.gz UOXGHRYBOBTNNP-KRWDZBQOSA-N 2 0 369.619 3.173 20 0 FGADRP C[C@H]([NH2+][C@@H]1CCC[C@H](N2CCCC2=O)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000570943250 505617877 /nfs/dbraw/zinc/61/78/77/505617877.db2.gz RMORGSRXXSQAFD-SXLOBPIMSA-N 2 0 373.541 3.211 20 0 FGADRP C[C@H](CC(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C)C1CC[NH2+]CC1 ZINC000579829485 505628515 /nfs/dbraw/zinc/62/85/15/505628515.db2.gz MOTHSSZBCXPXQH-KDOFPFPSSA-N 2 0 351.922 3.085 20 0 FGADRP [NH3+][C@@H]1CCC[C@H](C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)C1 ZINC000573843485 505633830 /nfs/dbraw/zinc/63/38/30/505633830.db2.gz PRDFZQCDVUPYQQ-DOIPELPJSA-N 2 0 355.526 3.017 20 0 FGADRP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]C[C@@H]2COc3ccccc32)CC1 ZINC000577051128 505652771 /nfs/dbraw/zinc/65/27/71/505652771.db2.gz FSJDYLUGMBFEDN-MRXNPFEDSA-N 2 0 371.912 3.358 20 0 FGADRP CC[NH+]1CCN(c2ccc(C[NH2+][C@H]3CCCc4c(O)cccc43)cn2)CC1 ZINC000579985728 505656679 /nfs/dbraw/zinc/65/66/79/505656679.db2.gz IPEPMUPCZKGNOE-FQEVSTJZSA-N 2 0 366.509 3.096 20 0 FGADRP Cc1cccc(-c2n[nH]cc2C[NH+]2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)c1 ZINC000571146812 505664649 /nfs/dbraw/zinc/66/46/49/505664649.db2.gz NWAIMKDRKQUVIA-PMACEKPBSA-N 2 0 354.498 3.103 20 0 FGADRP Cc1cccc(-c2n[nH]cc2C[NH+]2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)c1 ZINC000571146815 505664682 /nfs/dbraw/zinc/66/46/82/505664682.db2.gz NWAIMKDRKQUVIA-VQTJNVASSA-N 2 0 354.498 3.103 20 0 FGADRP C[NH+](C)CCCOc1cnccc1C[NH2+][C@H]1CS[C@H](C(C)(C)C)C1 ZINC000577146966 505672811 /nfs/dbraw/zinc/67/28/11/505672811.db2.gz VEPMEMXEBUXDIG-AEFFLSMTSA-N 2 0 351.560 3.422 20 0 FGADRP CC[NH+](CC)CC1CC[NH+](CC(=O)N(Cc2ccccc2)C(C)C)CC1 ZINC000047976417 493768205 /nfs/dbraw/zinc/76/82/05/493768205.db2.gz SYRNGJLRESSHAJ-UHFFFAOYSA-N 2 0 359.558 3.477 20 0 FGADRP CC[NH+]1CCC(NC(=O)NCc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)CC1 ZINC000047978709 493769617 /nfs/dbraw/zinc/76/96/17/493769617.db2.gz PMPPAUCIAALOOL-SFHVURJKSA-N 2 0 372.557 3.345 20 0 FGADRP CC[N@H+](Cc1ccc(C(=O)Nc2cnc3c(c2)C[C@H]([NH3+])CC3)cc1)C(C)C ZINC000571214278 505680818 /nfs/dbraw/zinc/68/08/18/505680818.db2.gz YAEHABNIJNOPOY-LJQANCHMSA-N 2 0 366.509 3.380 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N1CCC[N@@H+](C(C)C)CC1)c1ccsc1 ZINC000076057490 493814954 /nfs/dbraw/zinc/81/49/54/493814954.db2.gz ONDGEVPCSGPAQY-GOSISDBHSA-N 2 0 366.575 3.257 20 0 FGADRP C[N@@H+](Cc1cc2ccccc2[nH]c1=O)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076109828 493823693 /nfs/dbraw/zinc/82/36/93/493823693.db2.gz MVRQOGKMISZCTP-LJQANCHMSA-N 2 0 361.489 3.482 20 0 FGADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCCCCn2nnc(-c3ccccc3)n2)[C@H](C)C1 ZINC000081095931 493831054 /nfs/dbraw/zinc/83/10/54/493831054.db2.gz OSIHHLKGPFCWEK-UYAOXDASSA-N 2 0 370.545 3.173 20 0 FGADRP CC1CC[NH+](Cc2ccccc2CNC(=O)NC[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000574060076 505684435 /nfs/dbraw/zinc/68/44/35/505684435.db2.gz ROABKHVLZOZDRZ-GHTZIAJQSA-N 2 0 372.557 3.235 20 0 FGADRP C[C@@H](c1ccc(F)cc1)[NH+]1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000076324693 493865460 /nfs/dbraw/zinc/86/54/60/493865460.db2.gz UZGHQZKAAXIZGI-INIZCTEOSA-N 2 0 363.521 3.303 20 0 FGADRP C[NH+](C)[C@H](CNC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccsc1 ZINC000050028926 493893622 /nfs/dbraw/zinc/89/36/22/493893622.db2.gz AOUQWEDFNWNRCP-AZUAARDMSA-N 2 0 371.550 3.379 20 0 FGADRP CC[NH+](CC)Cc1ccc(C(=O)NCC[N@@H+]2CCc3ccccc3C2)cc1 ZINC000030634613 493902059 /nfs/dbraw/zinc/90/20/59/493902059.db2.gz WNASQBUBMDBHOV-UHFFFAOYSA-N 2 0 365.521 3.317 20 0 FGADRP CC[NH+](CC)CCN(Cc1ccccc1)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000069204855 493936291 /nfs/dbraw/zinc/93/62/91/493936291.db2.gz UYNZXRCXVLRSSJ-UHFFFAOYSA-N 2 0 372.557 3.167 20 0 FGADRP Cc1ccc([C@H](CNC(=O)NCC[N@H+]2CCCC[C@@H]2C)[NH+]2CCCC2)cc1 ZINC000060798176 493955144 /nfs/dbraw/zinc/95/51/44/493955144.db2.gz PFLSFTAOAUHVRG-FPOVZHCZSA-N 2 0 372.557 3.306 20 0 FGADRP COc1ccc([C@@H](CNC(=O)C[N@H+](C(C)C)C2CC2)[NH+]2CCCCC2)cc1 ZINC000061166270 493968538 /nfs/dbraw/zinc/96/85/38/493968538.db2.gz XOIYBZUUQGXKNZ-OAQYLSRUSA-N 2 0 373.541 3.211 20 0 FGADRP CC(C)[N@@H+]1CCCN(C(=O)NCc2ccccc2C[NH+]2CCCCC2)CC1 ZINC000069733858 494004456 /nfs/dbraw/zinc/00/44/56/494004456.db2.gz ZDNITEFEZZUMKO-UHFFFAOYSA-N 2 0 372.557 3.298 20 0 FGADRP CC1CC[NH+](CC2CC[NH+](Cc3cccc(C(=O)N(C)C)c3)CC2)CC1 ZINC000052442047 494025967 /nfs/dbraw/zinc/02/59/67/494025967.db2.gz ZCICDTLULYFCHC-UHFFFAOYSA-N 2 0 357.542 3.332 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)N[C@@H]3CCC[NH+](C)C3)cc2)C1 ZINC000052524371 494035663 /nfs/dbraw/zinc/03/56/63/494035663.db2.gz TYXJHKXKVKUNED-LVCYWYKZSA-N 2 0 372.557 3.058 20 0 FGADRP C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)N2CC[NH+](C3CCCC3)CC2)C1 ZINC000071935822 494110268 /nfs/dbraw/zinc/11/02/68/494110268.db2.gz RPSJKOKEQKSDLC-OALUTQOASA-N 2 0 364.578 3.014 20 0 FGADRP C[C@H](NC(=O)NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1)C(C)(C)C[NH+](C)C ZINC000085359498 494116692 /nfs/dbraw/zinc/11/66/92/494116692.db2.gz VYCXJOFDQDKYGN-KURKYZTESA-N 2 0 354.583 3.020 20 0 FGADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000085366863 494117467 /nfs/dbraw/zinc/11/74/67/494117467.db2.gz NJKBRVNMZYYPBB-QGZVFWFLSA-N 2 0 362.562 3.256 20 0 FGADRP CC[NH+](CC)Cc1ccccc1CNC(=O)N(C)[C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000085388347 494119823 /nfs/dbraw/zinc/11/98/23/494119823.db2.gz XXZUXGYRIKVWFV-FXAWDEMLSA-N 2 0 360.546 3.010 20 0 FGADRP Cc1ccc([C@@H]2CCC[N@@H+]2CC(=O)NC2CC[NH+](C3CC3)CC2)cc1C ZINC000064517606 494129733 /nfs/dbraw/zinc/12/97/33/494129733.db2.gz ITCIWVOPNBIZHV-NRFANRHFSA-N 2 0 355.526 3.183 20 0 FGADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)N[C@@H](c1ccc(F)cc1)C(C)(C)C ZINC000077779859 494176054 /nfs/dbraw/zinc/17/60/54/494176054.db2.gz BNGCQQLZNISJEM-SFHVURJKSA-N 2 0 366.525 3.048 20 0 FGADRP COc1ccccc1[C@@H](CNC(=O)C1CC[NH+](C(C)C)CC1)[NH+]1CCCC1 ZINC000072812835 494256770 /nfs/dbraw/zinc/25/67/70/494256770.db2.gz TUVHMJBFSKKEPS-HXUWFJFHSA-N 2 0 373.541 3.069 20 0 FGADRP CCC[NH+]1CCN(c2ccccc2C[NH2+]C[C@H](C)Cn2ccnc2C)CC1 ZINC000088702304 494256865 /nfs/dbraw/zinc/25/68/65/494256865.db2.gz UIVIXOBOBOOONA-IBGZPJMESA-N 2 0 369.557 3.149 20 0 FGADRP CC[NH+](CC)CCN(CC(C)C)C(=O)C1CCN(c2cc[nH+]cc2C)CC1 ZINC000072996884 494302167 /nfs/dbraw/zinc/30/21/67/494302167.db2.gz CNYUGLGTFPDHDO-UHFFFAOYSA-N 2 0 374.573 3.433 20 0 FGADRP CC[NH+](CC)[C@@H](C(=O)NC[C@@H]1CC[N@H+](C)C1)c1cccc(C(F)(F)F)c1 ZINC000073012994 494305781 /nfs/dbraw/zinc/30/57/81/494305781.db2.gz YRILAERJAXJRAA-WMLDXEAASA-N 2 0 371.447 3.156 20 0 FGADRP CC[N@H+](CCNC(=O)N1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1)C(C)C ZINC000073212432 494338644 /nfs/dbraw/zinc/33/86/44/494338644.db2.gz RXSHYKMSGHJNMP-OALUTQOASA-N 2 0 352.567 3.013 20 0 FGADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)c2oc3ccccc3c2C[NH+](C)C)C1 ZINC000078714974 494347911 /nfs/dbraw/zinc/34/79/11/494347911.db2.gz VPMRFZXLCCSDAP-MRXNPFEDSA-N 2 0 357.498 3.345 20 0 FGADRP CC(C)[NH+]1CCC([N@H+](C)C[C@H](O)CO[C@@H]2CCCc3ccccc32)CC1 ZINC000078804625 494364430 /nfs/dbraw/zinc/36/44/30/494364430.db2.gz SUJIXHGUPLERCI-RBBKRZOGSA-N 2 0 360.542 3.246 20 0 FGADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)C1 ZINC000073666514 494409551 /nfs/dbraw/zinc/40/95/51/494409551.db2.gz ZYSHLCVPDLNINK-FPOVZHCZSA-N 2 0 372.557 3.197 20 0 FGADRP C[NH+](C)CCN(Cc1ccccc1)C(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000079267378 494427950 /nfs/dbraw/zinc/42/79/50/494427950.db2.gz IJOIKGAJODGFOJ-IBGZPJMESA-N 2 0 374.554 3.124 20 0 FGADRP C[C@@H](Cc1ccsc1)[NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000090028620 494431484 /nfs/dbraw/zinc/43/14/84/494431484.db2.gz SKCQTTNKJYQGCT-KRWDZBQOSA-N 2 0 371.550 3.295 20 0 FGADRP CCC[C@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)c1ccccn1 ZINC000090038630 494431560 /nfs/dbraw/zinc/43/15/60/494431560.db2.gz FRJCLWHGAMFTAC-IBGZPJMESA-N 2 0 354.498 3.004 20 0 FGADRP CCc1nc(C)c([C@@H](C)[NH2+]Cc2ccc(C(=O)NCC[NH+](C)C)cc2)s1 ZINC000090038564 494431687 /nfs/dbraw/zinc/43/16/87/494431687.db2.gz BSOGAIKTGFNHLK-CQSZACIVSA-N 2 0 374.554 3.156 20 0 FGADRP COc1ccc(C)cc1[C@H](C)[NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000090038766 494432313 /nfs/dbraw/zinc/43/23/13/494432313.db2.gz CTSZQSLXWWLSGW-KRWDZBQOSA-N 2 0 369.509 3.146 20 0 FGADRP CCCC[N@H+](C)CC1CC[NH+]([C@@H](C)C(=O)NCCc2cccs2)CC1 ZINC000066960905 494446179 /nfs/dbraw/zinc/44/61/79/494446179.db2.gz RPLGFFCOGYWYOO-KRWDZBQOSA-N 2 0 365.587 3.239 20 0 FGADRP CC[N@H+](C)Cc1cccc(CNC(=O)NCCC2CC[NH+](CC)CC2)c1 ZINC000073917682 494448426 /nfs/dbraw/zinc/44/84/26/494448426.db2.gz COVMFPIBEMPZBU-UHFFFAOYSA-N 2 0 360.546 3.060 20 0 FGADRP O[C@H]1CCCC[C@H]1[NH+]1CCC(NC2CC[NH+](C3CCCCC3)CC2)CC1 ZINC000090525249 494478613 /nfs/dbraw/zinc/47/86/13/494478613.db2.gz KVHLPMLNPBUJPC-YADHBBJMSA-N 2 0 363.590 3.141 20 0 FGADRP C[NH+](C)CCC1CCN(C(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)CC1 ZINC000079554671 494479615 /nfs/dbraw/zinc/47/96/15/494479615.db2.gz PJNAEKHZSKMDMR-OAQYLSRUSA-N 2 0 372.557 3.197 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000079612998 494493384 /nfs/dbraw/zinc/49/33/84/494493384.db2.gz QWGXQMCMBDAAJY-GOSISDBHSA-N 2 0 352.567 3.014 20 0 FGADRP C[C@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)c1ccc(OC(F)F)cc1 ZINC000090937015 494504137 /nfs/dbraw/zinc/50/41/37/494504137.db2.gz RYTWCTMYGMXZMD-AWEZNQCLSA-N 2 0 365.424 3.474 20 0 FGADRP COc1ccc2c(c1)OC[C@@H]([NH2+][C@H](C)c1ccc(OCC[NH+](C)C)cc1)C2 ZINC000090964763 494506574 /nfs/dbraw/zinc/50/65/74/494506574.db2.gz QFMJLBHWWYMHDY-APWZRJJASA-N 2 0 370.493 3.290 20 0 FGADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)NC[C@@H]2CCC[NH+]2Cc2ccccc2)C1 ZINC000074265201 494507009 /nfs/dbraw/zinc/50/70/09/494507009.db2.gz UINAKJNJJNZVTJ-RTWAWAEBSA-N 2 0 372.557 3.024 20 0 FGADRP Cc1nc2ccccc2n1C[C@@H]1CCCN1C(=O)NC[C@@H]1CCC[C@H]([NH3+])C1 ZINC000580293816 505724996 /nfs/dbraw/zinc/72/49/96/505724996.db2.gz VBMLJHAZRVLQLV-SQNIBIBYSA-N 2 0 369.513 3.036 20 0 FGADRP C[NH+](C)[C@H](CNC(=O)NC[C@H](C1CCCCC1)[NH+](C)C)c1ccsc1 ZINC000046313912 494515463 /nfs/dbraw/zinc/51/54/63/494515463.db2.gz MEYPHRLPCCSFFR-QZTJIDSGSA-N 2 0 366.575 3.161 20 0 FGADRP C[C@@H](CNC(=O)NCc1ccccc1C[NH+]1CCCCC1)C[NH+]1CCCC1 ZINC000079925536 494551020 /nfs/dbraw/zinc/55/10/20/494551020.db2.gz SRBYECMARDDKED-IBGZPJMESA-N 2 0 372.557 3.204 20 0 FGADRP CC(C)[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000079945207 494553687 /nfs/dbraw/zinc/55/36/87/494553687.db2.gz SNBDIYPDDBKEGH-WIYYLYMNSA-N 2 0 357.542 3.276 20 0 FGADRP C[C@@H]([NH2+]Cc1cccc(OCC[NH+](C)C)c1)c1nc2ccccc2n1C ZINC000091287614 494578108 /nfs/dbraw/zinc/57/81/08/494578108.db2.gz ISDYHIUCSZGRSJ-MRXNPFEDSA-N 2 0 352.482 3.365 20 0 FGADRP COc1ccc([C@H]([NH2+]Cc2ccnc(N3CC[NH+](C)CC3)c2)C2CC2)cc1 ZINC000091286933 494578776 /nfs/dbraw/zinc/57/87/76/494578776.db2.gz GTHSOFLFPPRTCF-JOCHJYFZSA-N 2 0 366.509 3.083 20 0 FGADRP NC(=O)[C@H]1CCC[N@H+](CCC[NH2+][C@H](c2ccc(F)cc2)C2CCCC2)C1 ZINC000091333555 494583842 /nfs/dbraw/zinc/58/38/42/494583842.db2.gz FQHGIUBUGQGDIK-ICSRJNTNSA-N 2 0 361.505 3.234 20 0 FGADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H](c1cccc(C(F)(F)F)c1)C1CC1 ZINC000091334814 494586238 /nfs/dbraw/zinc/58/62/38/494586238.db2.gz MQNQEGPOCGLCFL-KDOFPFPSSA-N 2 0 355.448 3.382 20 0 FGADRP C[C@H]1C[C@H](NC(=O)NCC[NH+](C)C2CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000080118257 494602845 /nfs/dbraw/zinc/60/28/45/494602845.db2.gz CTSOUIGJWGURKP-AZUAARDMSA-N 2 0 372.557 3.213 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)NC1CC[NH+](CC(C)C)CC1)CC(C)C ZINC000107939292 494624028 /nfs/dbraw/zinc/62/40/28/494624028.db2.gz IUDKWHUOYDNXRN-IBGZPJMESA-N 2 0 354.583 3.163 20 0 FGADRP CC(C)[NH+](CCCNC(=O)NC[C@H](c1ccsc1)[NH+](C)C)C(C)C ZINC000074851141 494624135 /nfs/dbraw/zinc/62/41/35/494624135.db2.gz NSMCXZMVJXZORJ-QGZVFWFLSA-N 2 0 354.564 3.159 20 0 FGADRP C[C@@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]CC1CC[NH+](C)CC1 ZINC000126161751 494657078 /nfs/dbraw/zinc/65/70/78/494657078.db2.gz OYLQNHIQAPFIHV-HNNXBMFYSA-N 2 0 351.922 3.008 20 0 FGADRP COC[C@H](Cc1ccccc1)[NH2+][C@H]1CCN(Cc2ccccn2)C[C@@H]1C ZINC000126225154 494677704 /nfs/dbraw/zinc/67/77/04/494677704.db2.gz XNAHAHLKWBBNIY-NYVOZVTQSA-N 2 0 353.510 3.139 20 0 FGADRP C[S@@](=O)c1ccc(C[NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)cc1 ZINC000080344579 494681698 /nfs/dbraw/zinc/68/16/98/494681698.db2.gz QWIJNTSWFVHSNX-SANMLTNESA-N 2 0 372.534 3.188 20 0 FGADRP C[C@H]1CCC[N@@H+]1C1CCN(C(=O)NCCCC[NH+]2CCCC[C@@H]2C)CC1 ZINC000126305951 494704765 /nfs/dbraw/zinc/70/47/65/494704765.db2.gz IZRBHHUVADQCQD-OALUTQOASA-N 2 0 364.578 3.299 20 0 FGADRP CCC[C@@H](C)NC(=O)[C@H](C)[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821458 494763821 /nfs/dbraw/zinc/76/38/21/494763821.db2.gz QNWRXXFIHCVTER-MSOLQXFVSA-N 2 0 360.546 3.313 20 0 FGADRP C[C@H](C(=O)N1CCC(C)CC1)[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821108 494763994 /nfs/dbraw/zinc/76/39/94/494763994.db2.gz XXVCVDUQTPJZFF-LJQANCHMSA-N 2 0 372.557 3.267 20 0 FGADRP COc1ccc(Cn2nc(C)c(C[NH2+]Cc3ccc(C[NH3+])cc3)c2C)cc1 ZINC000568632437 505741062 /nfs/dbraw/zinc/74/10/62/505741062.db2.gz QBISVYLINPFFJO-UHFFFAOYSA-N 2 0 364.493 3.305 20 0 FGADRP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)NCCCC[NH+]2CCCC2)CC1 ZINC000116434530 494784487 /nfs/dbraw/zinc/78/44/87/494784487.db2.gz UXVHLODQNOLQEH-IBGZPJMESA-N 2 0 372.557 3.387 20 0 FGADRP C[NH+](C)[C@H](CNC(=O)NC[C@H](c1ccsc1)[NH+](C)C)c1ccsc1 ZINC000075528486 494785588 /nfs/dbraw/zinc/78/55/88/494785588.db2.gz WJWDDVZSZWDXPZ-HZPDHXFCSA-N 2 0 366.556 3.014 20 0 FGADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H]2CCCOc3c(Cl)cc(C)cc32)CC1 ZINC000126553742 494787495 /nfs/dbraw/zinc/78/74/95/494787495.db2.gz NKIUWJZMBRCKAA-APWZRJJASA-N 2 0 365.949 3.478 20 0 FGADRP O[C@H](C[NH2+]Cc1cccc(-c2ccccn2)c1)CN1CCc2ccccc2C1 ZINC000126689714 494820068 /nfs/dbraw/zinc/82/00/68/494820068.db2.gz QTLABJJTFZJEKT-HSZRJFAPSA-N 2 0 373.500 3.257 20 0 FGADRP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)[C@@H]1CCC[NH+]1Cc1ccccc1 ZINC000109122660 494834704 /nfs/dbraw/zinc/83/47/04/494834704.db2.gz XIJSQOISOOJIJO-FPOVZHCZSA-N 2 0 357.542 3.422 20 0 FGADRP CC(C)[C@H](C[NH2+][C@@H](C)c1ccc(OC(F)F)cc1)N1CC[NH+](C)CC1 ZINC000132354690 494861725 /nfs/dbraw/zinc/86/17/25/494861725.db2.gz XDAWAIDDYWYFBL-YJBOKZPZSA-N 2 0 355.473 3.211 20 0 FGADRP Cc1nn(-c2ccccc2)cc1C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000093734942 494914496 /nfs/dbraw/zinc/91/44/96/494914496.db2.gz WNZZGFFGQPDLJC-UHFFFAOYSA-N 2 0 368.525 3.258 20 0 FGADRP c1nc(-c2ccccn2)sc1C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000093735215 494914749 /nfs/dbraw/zinc/91/47/49/494914749.db2.gz UGFRJVBUGBBPSZ-UHFFFAOYSA-N 2 0 372.538 3.282 20 0 FGADRP COCC[N@H+](C)CCCC1CC[NH+](Cc2cccc(-n3cccn3)c2)CC1 ZINC000093769391 494919087 /nfs/dbraw/zinc/91/90/87/494919087.db2.gz PPMRAECXYOFDOH-UHFFFAOYSA-N 2 0 370.541 3.443 20 0 FGADRP COc1ccc(C[NH+]2CCC(CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc1O ZINC000093844304 494927232 /nfs/dbraw/zinc/92/72/32/494927232.db2.gz ANDDLMNJRWJSFQ-CALCHBBNSA-N 2 0 362.514 3.112 20 0 FGADRP CC[C@H]([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)c1ccc(OC)c(OC)c1 ZINC000132921011 494943060 /nfs/dbraw/zinc/94/30/60/494943060.db2.gz KSSGUBYHJVAHDH-APWZRJJASA-N 2 0 362.514 3.245 20 0 FGADRP C[C@H]1C[C@H](NC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)C[N@@H+]1C1CC1 ZINC000127460426 494947951 /nfs/dbraw/zinc/94/79/51/494947951.db2.gz DDURJXHYUMWRIL-PXNSSMCTSA-N 2 0 370.541 3.097 20 0 FGADRP Cc1nccn1-c1ccc([C@H](C)[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)cc1 ZINC000132973999 494950358 /nfs/dbraw/zinc/95/03/58/494950358.db2.gz JVEXLDDVVREIRX-HKUYNNGSSA-N 2 0 368.525 3.332 20 0 FGADRP C[C@H]([NH2+]C[C@@H](O)CC1CCCC1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000571516174 505751961 /nfs/dbraw/zinc/75/19/61/505751961.db2.gz IZHNEXJBNOZGPJ-LPHOPBHVSA-N 2 0 363.521 3.169 20 0 FGADRP C[NH+](C)Cc1c2ccccc2oc1C(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000118754920 495032577 /nfs/dbraw/zinc/03/25/77/495032577.db2.gz KSHZBMYKXNAFLA-UHFFFAOYSA-N 2 0 357.498 3.489 20 0 FGADRP C[C@H]1C[N@@H+](CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)CC[C@@H]1C ZINC000122845273 495040141 /nfs/dbraw/zinc/04/01/41/495040141.db2.gz JNRZNKJDOGMDRH-IRXDYDNUSA-N 2 0 361.555 3.152 20 0 FGADRP C[C@H](CCc1ccc(OC(F)F)cc1)[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000128431499 495095496 /nfs/dbraw/zinc/09/54/96/495095496.db2.gz AZFCBVJKKDVQKU-QGZVFWFLSA-N 2 0 369.500 3.226 20 0 FGADRP CCc1ccc([C@H](CNC(=O)c2cccc(C[NH+](C)C)c2)[NH+](C)C)cc1 ZINC000128555024 495115352 /nfs/dbraw/zinc/11/53/52/495115352.db2.gz QWWDIGPYRYKLKJ-NRFANRHFSA-N 2 0 353.510 3.343 20 0 FGADRP C[NH+](C)Cc1cccc(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)c1 ZINC000128559838 495116387 /nfs/dbraw/zinc/11/63/87/495116387.db2.gz VFHATFGEOHJLKF-NRFANRHFSA-N 2 0 351.494 3.315 20 0 FGADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCC([NH+]3CCCC3)CC2)C1 ZINC000111881284 495124847 /nfs/dbraw/zinc/12/48/47/495124847.db2.gz DRFHHOLRJYYIOT-GOSISDBHSA-N 2 0 364.578 3.157 20 0 FGADRP C[C@@H]([NH2+]CCCN1CCC[N@H+](C)CC1)c1cccc(-c2ccncc2)c1 ZINC000128702469 495137877 /nfs/dbraw/zinc/13/78/77/495137877.db2.gz QAQZIIZYKZSVJW-LJQANCHMSA-N 2 0 352.526 3.427 20 0 FGADRP CCCNC(=O)C[NH+]1CCC(Nc2cc(CC)[nH+]c3ccccc23)CC1 ZINC000123648609 495165647 /nfs/dbraw/zinc/16/56/47/495165647.db2.gz LGNKOXPHKSSXDS-UHFFFAOYSA-N 2 0 354.498 3.200 20 0 FGADRP C[C@@H]([NH2+]Cc1cccc(C[NH+](C)C)c1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000123657115 495167730 /nfs/dbraw/zinc/16/77/30/495167730.db2.gz VJBNZBIHKPQXEF-CQSZACIVSA-N 2 0 364.486 3.142 20 0 FGADRP C[C@H]([NH2+][C@@H]1CCN(c2ccccc2)C1=O)c1cccc(OCC[NH+](C)C)c1 ZINC000128995435 495179119 /nfs/dbraw/zinc/17/91/19/495179119.db2.gz UNINYPLFGSEYTF-LAUBAEHRSA-N 2 0 367.493 3.083 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+]C[C@H](O)COc2ccccc2Cl)C1 ZINC000568740504 505766656 /nfs/dbraw/zinc/76/66/56/505766656.db2.gz FZFWMLUYWAOFAS-KSZLIROESA-N 2 0 368.949 3.427 20 0 FGADRP CC(C)c1ccc(C[NH2+]Cc2ccc(C(=O)NCC[NH+](C)C)cc2)cc1 ZINC000123852927 495197568 /nfs/dbraw/zinc/19/75/68/495197568.db2.gz SHRDJZVODQLGCU-UHFFFAOYSA-N 2 0 353.510 3.391 20 0 FGADRP C[C@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)c1ccc(F)c(Cl)c1 ZINC000112528823 495200939 /nfs/dbraw/zinc/20/09/39/495200939.db2.gz JCJSIFYNZBJWDN-AWEZNQCLSA-N 2 0 362.880 3.477 20 0 FGADRP COc1ccc([C@@H](C)[NH2+]Cc2ccnc(N3CC[NH+](C)CC3)c2)cc1Cl ZINC000112528910 495201056 /nfs/dbraw/zinc/20/10/56/495201056.db2.gz ZOHVJSSXJPYEGM-OAHLLOKOSA-N 2 0 374.916 3.346 20 0 FGADRP C[N@H+](CC[C@H]1CCC[NH+]1C)C1CCN(c2ncnc3ccccc32)CC1 ZINC000129154617 495204050 /nfs/dbraw/zinc/20/40/50/495204050.db2.gz XYXZKSNSRJYEPD-QGZVFWFLSA-N 2 0 353.514 3.015 20 0 FGADRP C[C@H](CNC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1)C[NH+]1CCCC1 ZINC000103308136 495217746 /nfs/dbraw/zinc/21/77/46/495217746.db2.gz JRXJFOAMSDLTLJ-WOJBJXKFSA-N 2 0 364.578 3.016 20 0 FGADRP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000129457865 495248336 /nfs/dbraw/zinc/24/83/36/495248336.db2.gz UEIVISDIPPNGHN-RBUKOAKNSA-N 2 0 372.557 3.154 20 0 FGADRP C[C@H]1CCN(C(=O)c2oc3ccccc3c2C[NH+](C)C)C[C@H]1n1ccnc1 ZINC000124290938 495263558 /nfs/dbraw/zinc/26/35/58/495263558.db2.gz HCSXYLNAXGBGSW-MAUKXSAKSA-N 2 0 366.465 3.414 20 0 FGADRP Cc1nc(C(C)C)sc1[C@@H](C)[NH2+]CC1CC[NH+](CCN(C)C)CC1 ZINC000124361144 495275918 /nfs/dbraw/zinc/27/59/18/495275918.db2.gz RRYZZCCYQKPHEB-OAHLLOKOSA-N 2 0 352.592 3.499 20 0 FGADRP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@H](c3ccccc3)[C@@H](C)C2)CC1 ZINC000129740419 495288670 /nfs/dbraw/zinc/28/86/70/495288670.db2.gz GRKFBJQSNYRZPH-RXVVDRJESA-N 2 0 357.542 3.101 20 0 FGADRP C[NH+](C)C[C@@H]1CC[N@H+](C[C@H](O)Cn2c3ccccc3c3ccccc32)C1 ZINC000113515826 495309119 /nfs/dbraw/zinc/30/91/19/495309119.db2.gz SPRWIBWPMJQWEC-ROUUACIJSA-N 2 0 351.494 3.039 20 0 FGADRP C[C@H](C[NH+]1CCCCC1)NC(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000113591923 495318923 /nfs/dbraw/zinc/31/89/23/495318923.db2.gz ANHSSAWLCGVCID-LJQANCHMSA-N 2 0 372.557 3.167 20 0 FGADRP C[C@@H](C[NH+]1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1)c1ccccc1 ZINC000120205782 495327388 /nfs/dbraw/zinc/32/73/88/495327388.db2.gz WYRZIGPTVQFUKA-FQEVSTJZSA-N 2 0 371.569 3.494 20 0 FGADRP C[C@H](C[NH2+][C@@H]1CC2(CCCCC2)Oc2ccccc21)N1CC[NH+](C)CC1 ZINC000130108238 495342925 /nfs/dbraw/zinc/34/29/25/495342925.db2.gz LXUYGJPLKQAHDH-UYAOXDASSA-N 2 0 357.542 3.439 20 0 FGADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H]1CC2(CCCCC2)Oc2ccccc21 ZINC000130141693 495347824 /nfs/dbraw/zinc/34/78/24/495347824.db2.gz FLEZLQOXZVZVSB-QUCCMNQESA-N 2 0 357.542 3.439 20 0 FGADRP C[N@H+](CCNC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1)C1CCCC1 ZINC000105294881 495353683 /nfs/dbraw/zinc/35/36/83/495353683.db2.gz RFDLZWPYVXFIQI-LJQANCHMSA-N 2 0 364.578 3.158 20 0 FGADRP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)NCCCC[NH+]2CCC[C@H](C)C2)C1 ZINC000124939969 495367880 /nfs/dbraw/zinc/36/78/80/495367880.db2.gz QICCZRLGASRNGR-PMACEKPBSA-N 2 0 366.594 3.166 20 0 FGADRP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000136860329 495406247 /nfs/dbraw/zinc/40/62/47/495406247.db2.gz KDNIHESSEFAQLM-IBGZPJMESA-N 2 0 364.578 3.301 20 0 FGADRP Cc1cccc(N2CC[NH+](CCCC[NH2+][C@H]3C[C@@H](C)N(C4CC4)C3)CC2)c1 ZINC000125335729 495427869 /nfs/dbraw/zinc/42/78/69/495427869.db2.gz AXXOWFCCWDLROM-RTWAWAEBSA-N 2 0 370.585 3.112 20 0 FGADRP C[C@H](C[NH2+][C@H](C)c1ccccc1OC(F)(F)F)CN1CC[NH+](C)CC1 ZINC000120831272 495467227 /nfs/dbraw/zinc/46/72/27/495467227.db2.gz UWTPSSDDTHUTNY-HUUCEWRRSA-N 2 0 359.436 3.119 20 0 FGADRP C[C@H]([NH2+]CCCC[NH+]1CCN(C)CC1)c1ccc(Br)c(F)c1 ZINC000131127645 495495749 /nfs/dbraw/zinc/49/57/49/495495749.db2.gz RFGBDQBUTSTUGF-AWEZNQCLSA-N 2 0 372.326 3.266 20 0 FGADRP COc1cc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](C(C)C)C2)cc(OC)c1OC ZINC000125818715 495503062 /nfs/dbraw/zinc/50/30/62/495503062.db2.gz PDRMLQNCGVYKHP-JKSUJKDBSA-N 2 0 350.503 3.483 20 0 FGADRP Cc1ccc([C@@H](CNC(=O)NC2CC[NH+](C(C)C)CC2)[NH+]2CCCC2)cc1 ZINC000141766632 495510352 /nfs/dbraw/zinc/51/03/52/495510352.db2.gz CUVMNDYAPPNPCK-OAQYLSRUSA-N 2 0 372.557 3.304 20 0 FGADRP C[C@H]([NH2+]CCCC[NH+]1C[C@@H](C)C[C@H](C)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000158564833 495539769 /nfs/dbraw/zinc/53/97/69/495539769.db2.gz FKLDNRZFWAAQOM-BZSNNMDCSA-N 2 0 366.571 3.499 20 0 FGADRP CCOc1ccc(Cl)cc1[C@@H](C)[NH2+]CCCN1CC[NH+](CC)CC1 ZINC000154257322 495559362 /nfs/dbraw/zinc/55/93/62/495559362.db2.gz KRLDKSKCGMKZNI-MRXNPFEDSA-N 2 0 353.938 3.417 20 0 FGADRP C[C@@H](CNC(=O)NC1CC[NH+](C2CCCCC2)CC1)[NH+]1CCC(C)CC1 ZINC000176276943 495575094 /nfs/dbraw/zinc/57/50/94/495575094.db2.gz UZVJBQDLJTUECD-SFHVURJKSA-N 2 0 364.578 3.203 20 0 FGADRP C[C@@H](C[NH+]1CCCCCC1)NC(=O)c1oc2ccccc2c1C[NH+](C)C ZINC000185438036 495577161 /nfs/dbraw/zinc/57/71/61/495577161.db2.gz GNLFJJZGZUPSDD-INIZCTEOSA-N 2 0 357.498 3.489 20 0 FGADRP C[C@@H](CNC(=O)C1CC[NH+](Cc2ccccc2)CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000148518672 495584970 /nfs/dbraw/zinc/58/49/70/495584970.db2.gz HXZWZRULYHDNTP-MOPGFXCFSA-N 2 0 357.542 3.135 20 0 FGADRP CCSc1cccc(C[NH2+]Cc2ccnc(N3CC[NH+](C)CC3)c2)c1 ZINC000185469618 495589347 /nfs/dbraw/zinc/58/93/47/495589347.db2.gz AZMGPMGPSGOXIY-UHFFFAOYSA-N 2 0 356.539 3.235 20 0 FGADRP OC[C@@]1(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)C[C@H]1c1ccccc1 ZINC000571693981 505791922 /nfs/dbraw/zinc/79/19/22/505791922.db2.gz FDOMTMJSHJVRRK-ZEQRLZLVSA-N 2 0 364.533 3.449 20 0 FGADRP COCCC[NH+]1CCC([NH2+][C@@H](C)c2ccc3c(c2)C(C)(C)C(=O)N3)CC1 ZINC000159075903 495652552 /nfs/dbraw/zinc/65/25/52/495652552.db2.gz WYGGYHOPUXQIJV-HNNXBMFYSA-N 2 0 359.514 3.068 20 0 FGADRP C[NH+]1CCN(c2cc(C[NH2+][C@H]3CCSc4ccccc43)ccn2)CC1 ZINC000159144256 495669861 /nfs/dbraw/zinc/66/98/61/495669861.db2.gz RJBPKCNKSVSZBM-SFHVURJKSA-N 2 0 354.523 3.160 20 0 FGADRP C[C@H](CCNC(=O)N1CCC[N@H+](Cc2ccccc2)CC1)[NH+]1CCCCC1 ZINC000182709506 495672759 /nfs/dbraw/zinc/67/27/59/495672759.db2.gz IFVPFCABORCSOT-HXUWFJFHSA-N 2 0 372.557 3.168 20 0 FGADRP CC[NH+](CC)CCCC1CC[NH+](CC(=O)NCc2ccc(F)cc2)CC1 ZINC000182734589 495681422 /nfs/dbraw/zinc/68/14/22/495681422.db2.gz AWJSFPYOPDLTKP-UHFFFAOYSA-N 2 0 363.521 3.276 20 0 FGADRP CC[N@H+](Cc1ccc(C(=O)N2CCN(c3cc[nH+]cc3)CC2)cc1)C(C)C ZINC000159204186 495682895 /nfs/dbraw/zinc/68/28/95/495682895.db2.gz IIXZMYDUZIODTA-UHFFFAOYSA-N 2 0 366.509 3.274 20 0 FGADRP C[NH+](C)CC1CCC(NC(=O)NC(C)(C)CC[NH+]2CCCCCC2)CC1 ZINC000185704498 495689380 /nfs/dbraw/zinc/68/93/80/495689380.db2.gz HUWZCZNAGDXPRU-UHFFFAOYSA-N 2 0 366.594 3.451 20 0 FGADRP C[NH+](C)CCN1CCC([NH2+][C@H]2CCCOc3c(Cl)cccc32)CC1 ZINC000150958030 495694655 /nfs/dbraw/zinc/69/46/55/495694655.db2.gz NHDYYNOCUCYIRQ-SFHVURJKSA-N 2 0 351.922 3.169 20 0 FGADRP COc1cc(OC)c([C@@H](C)[NH2+]C2CCN(CC[NH+](C)C)CC2)cc1Cl ZINC000150992818 495705631 /nfs/dbraw/zinc/70/56/31/495705631.db2.gz KTJSUIUCQXHHTA-CQSZACIVSA-N 2 0 369.937 3.034 20 0 FGADRP CCC[NH+]1CCC(N(C)C(=O)N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)CC1 ZINC000182874786 495737880 /nfs/dbraw/zinc/73/78/80/495737880.db2.gz GPGGGJMGDATCJS-QZTJIDSGSA-N 2 0 364.578 3.155 20 0 FGADRP C[C@@H](c1cccc(Br)c1)[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000182953364 495773410 /nfs/dbraw/zinc/77/34/10/495773410.db2.gz AJASCEUHHWVXAI-HNNXBMFYSA-N 2 0 354.336 3.079 20 0 FGADRP COc1cc(-c2ccccc2)ccc1C[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000183066936 495821204 /nfs/dbraw/zinc/82/12/04/495821204.db2.gz DIUPIKLUKPKXCP-UHFFFAOYSA-N 2 0 367.537 3.478 20 0 FGADRP CC[NH+](CC)Cc1ccccc1CNC(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000174131016 495831316 /nfs/dbraw/zinc/83/13/16/495831316.db2.gz OEWSKKPUGOWPOJ-IBGZPJMESA-N 2 0 372.557 3.156 20 0 FGADRP CC(C)[C@@H](C(=O)NC1CC[NH+](CCc2ccccc2)CC1)[NH+]1CCCCC1 ZINC000171434882 495872380 /nfs/dbraw/zinc/87/23/80/495872380.db2.gz UNYRJVHYNKOEHP-QFIPXVFZSA-N 2 0 371.569 3.320 20 0 FGADRP CC(C)[NH+]1CCC(NC(=O)N(CC[NH+](C)C)CC2CCCCC2)CC1 ZINC000155209640 495877993 /nfs/dbraw/zinc/87/79/93/495877993.db2.gz ZJNWUKCOOMVYAJ-UHFFFAOYSA-N 2 0 352.567 3.013 20 0 FGADRP Cc1ccc(NC(=O)[C@H](C)[NH+]2CCCCCC2)cc1NC(=O)CC[NH+](C)C ZINC000186209778 495897007 /nfs/dbraw/zinc/89/70/07/495897007.db2.gz SVUNAVWJOYVKGB-KRWDZBQOSA-N 2 0 374.529 3.088 20 0 FGADRP C[C@@H]1C[N@@H+](CCCC[NH2+]C2CCN(Cc3ccccc3)CC2)C[C@H](C)O1 ZINC000174316165 495906681 /nfs/dbraw/zinc/90/66/81/495906681.db2.gz OCIUQOPRYIFGRP-BGYRXZFFSA-N 2 0 359.558 3.130 20 0 FGADRP O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000171575796 495932433 /nfs/dbraw/zinc/93/24/33/495932433.db2.gz JIEGNIDOWMDFSR-LEWJYISDSA-N 2 0 370.541 3.093 20 0 FGADRP CCC[NH+]1CCC([NH2+]C[C@H](CO)Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000183349811 495942964 /nfs/dbraw/zinc/94/29/64/495942964.db2.gz WIFJYADDVPDRMP-MRXNPFEDSA-N 2 0 374.447 3.200 20 0 FGADRP CC[NH+](CC)Cc1cccc(CNC(=O)N2CCC[C@@H]2C[NH+]2CCCC2)c1 ZINC000171615934 495949859 /nfs/dbraw/zinc/94/98/59/495949859.db2.gz ONPUKDMPJCAMLV-OAQYLSRUSA-N 2 0 372.557 3.298 20 0 FGADRP C[NH+](C)Cc1cccc(C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)c1 ZINC000155507811 495977910 /nfs/dbraw/zinc/97/79/10/495977910.db2.gz AZMPMZCERXLBFT-SFHVURJKSA-N 2 0 357.523 3.377 20 0 FGADRP COc1ccc([C@@H](C)[NH2+]C2CC[NH+](C(C)C)CC2)cc1Cn1cccn1 ZINC000180404286 495983204 /nfs/dbraw/zinc/98/32/04/495983204.db2.gz LYFNYCUYPNOJOC-QGZVFWFLSA-N 2 0 356.514 3.463 20 0 FGADRP COc1ccc([C@H]([NH2+]C[C@H](C)CN2CC[NH+](C)CC2)c2ccccc2)cc1 ZINC000180438614 495996215 /nfs/dbraw/zinc/99/62/15/495996215.db2.gz VWRPXMGTOADCIA-WMZHIEFXSA-N 2 0 367.537 3.258 20 0 FGADRP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3cnc(-c4ccccc4)s3)C2)CC1 ZINC000174545342 496001997 /nfs/dbraw/zinc/00/19/97/496001997.db2.gz WCACCWLEMQDKDX-SFHVURJKSA-N 2 0 356.539 3.022 20 0 FGADRP CC[C@H]([NH2+]C[C@@H](C)N1CC[NH+](CC)CC1)c1cc(Cl)ccc1OC ZINC000155593673 496006885 /nfs/dbraw/zinc/00/68/85/496006885.db2.gz KDNOHESRHFOWSU-QAPCUYQASA-N 2 0 353.938 3.415 20 0 FGADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H](C)c2ccccc2Br)CC1 ZINC000155603463 496010051 /nfs/dbraw/zinc/01/00/51/496010051.db2.gz SZBWXFQVZHFINU-CABCVRRESA-N 2 0 354.336 3.126 20 0 FGADRP CC[N@H+](CC(=O)NC[C@@H]1CC[NH+](C)[C@@H]1c1ccc(Cl)c(F)c1)C1CC1 ZINC000155611692 496012266 /nfs/dbraw/zinc/01/22/66/496012266.db2.gz NRIYFJHUSYFXOT-IFXJQAMLSA-N 2 0 367.896 3.072 20 0 FGADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H](C)c2sc(C(C)(C)C)nc2C)CC1 ZINC000155695941 496038290 /nfs/dbraw/zinc/03/82/90/496038290.db2.gz QYVMZLFVNRAQBV-GJZGRUSLSA-N 2 0 352.592 3.426 20 0 FGADRP CC[NH+](CC)Cc1ccc(CNC(=O)N2CC[C@H]([NH+](CC)CC)C2)cc1 ZINC000174634331 496040352 /nfs/dbraw/zinc/04/03/52/496040352.db2.gz WBSCXHYQKGEXNP-FQEVSTJZSA-N 2 0 360.546 3.154 20 0 FGADRP CC(C)C[NH+]1CCC(NC(=O)NC2CC[NH+](C3CCCCC3)CC2)CC1 ZINC000177386545 496041838 /nfs/dbraw/zinc/04/18/38/496041838.db2.gz OMBHFHNTXGUHON-UHFFFAOYSA-N 2 0 364.578 3.203 20 0 FGADRP C[NH+](C)CCOc1cccc(C[NH2+]Cc2cncc(Br)c2)c1 ZINC000186592741 496061366 /nfs/dbraw/zinc/06/13/66/496061366.db2.gz DEHVAWQMWSSPOC-UHFFFAOYSA-N 2 0 364.287 3.074 20 0 FGADRP C[C@H](CCc1ccc(OC(F)F)cc1)[NH2+][C@H](C)CCN1CC[NH+](C)CC1 ZINC000186592478 496062435 /nfs/dbraw/zinc/06/24/35/496062435.db2.gz RYUSRUFKYGEHFQ-IAGOWNOFSA-N 2 0 369.500 3.225 20 0 FGADRP COc1cc(OC)c([C@H](C)[NH2+][C@H](C)CCN2CC[NH+](C)CC2)cc1Cl ZINC000186597643 496064320 /nfs/dbraw/zinc/06/43/20/496064320.db2.gz IYOFTGVYCLHSFT-CABCVRRESA-N 2 0 369.937 3.034 20 0 FGADRP C[N@H+](CCCOc1ccc2ccccc2c1)CCCN1CC[NH+](C)CC1 ZINC000174727135 496079023 /nfs/dbraw/zinc/07/90/23/496079023.db2.gz SYTWUZOWXKATFF-UHFFFAOYSA-N 2 0 355.526 3.178 20 0 FGADRP Cc1ccccc1C[NH+]1CCC(NC(=O)C[NH+]2C[C@@H]3CCCC[C@H]3C2)CC1 ZINC000177521689 496095513 /nfs/dbraw/zinc/09/55/13/496095513.db2.gz YRYGEGXKHJGBOU-SFTDATJTSA-N 2 0 369.553 3.198 20 0 FGADRP C[C@H]([NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1)c1cccc2ccccc21 ZINC000568980185 505823230 /nfs/dbraw/zinc/82/32/30/505823230.db2.gz YJFHGIYTZDJZGX-INIZCTEOSA-N 2 0 351.494 3.233 20 0 FGADRP CC[NH+](CC)CCOc1ccc(C(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)cc1 ZINC000177542140 496104889 /nfs/dbraw/zinc/10/48/89/496104889.db2.gz MJVJIMPTIYZTSF-MOPGFXCFSA-N 2 0 361.530 3.010 20 0 FGADRP Cc1ccc(C2CC([NH2+]Cc3ccc(C(=O)NCC[NH+](C)C)cc3)C2)cc1 ZINC000180714730 496115106 /nfs/dbraw/zinc/11/51/06/496115106.db2.gz CTSACQCHUXMOSQ-UHFFFAOYSA-N 2 0 365.521 3.322 20 0 FGADRP COc1cccc([C@@H](CNC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)[NH+](C)C)c1 ZINC000177600809 496128384 /nfs/dbraw/zinc/12/83/84/496128384.db2.gz NXBBCKOVGDMMPZ-WIYYLYMNSA-N 2 0 373.541 3.069 20 0 FGADRP O=C(NCCC[N@@H+]1CCc2ccccc2C1)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC000177655893 496148517 /nfs/dbraw/zinc/14/85/17/496148517.db2.gz DCSIRPUEZQWTRA-NRFANRHFSA-N 2 0 369.553 3.206 20 0 FGADRP COc1ccc([C@H](C)[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)cc1Cn1cccn1 ZINC000152459160 496159312 /nfs/dbraw/zinc/15/93/12/496159312.db2.gz ICJUMWWAKYGFRW-DLBZAZTESA-N 2 0 354.498 3.075 20 0 FGADRP COc1ccc(C[NH2+]CCCC[NH+]2C[C@H](C)O[C@@H](C)C2)c(OC(F)F)c1 ZINC000172191869 496201657 /nfs/dbraw/zinc/20/16/57/496201657.db2.gz JCSORNDMQCKZNY-GJZGRUSLSA-N 2 0 372.456 3.276 20 0 FGADRP C[C@H](c1cccc(Br)c1)[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000180931849 496204942 /nfs/dbraw/zinc/20/49/42/496204942.db2.gz XVFMVMVBTKELHM-OAHLLOKOSA-N 2 0 368.363 3.468 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000156469852 496253273 /nfs/dbraw/zinc/25/32/73/496253273.db2.gz GVYWGDUFYTVRHB-UXHICEINSA-N 2 0 364.578 3.301 20 0 FGADRP CC(C)[C@@H](Cc1ccccc1)[NH2+]Cc1cccnc1N1CC[NH+](C)CC1 ZINC000187081030 496284399 /nfs/dbraw/zinc/28/43/99/496284399.db2.gz OQUDBAIXWCWLLL-OAQYLSRUSA-N 2 0 352.526 3.190 20 0 FGADRP C[C@@H]([NH2+]CCCN1CC[NH+](C)CC1)[C@@H](C)Oc1ccc(Cl)cc1Cl ZINC000162526421 496368308 /nfs/dbraw/zinc/36/83/08/496368308.db2.gz XXGGMSDVUVIXRV-HUUCEWRRSA-N 2 0 374.356 3.376 20 0 FGADRP Cc1csc(N2CCC([NH2+]Cc3cccc(OCC[NH+](C)C)c3)CC2)n1 ZINC000162545756 496370785 /nfs/dbraw/zinc/37/07/85/496370785.db2.gz WWANKLUKQNBMSI-UHFFFAOYSA-N 2 0 374.554 3.151 20 0 FGADRP CC[NH+]1CCN(c2cccc(NC(=O)[C@H](C)[N@H+]3[C@H](C)CC[C@@H]3C)c2)CC1 ZINC000184508836 496417465 /nfs/dbraw/zinc/41/74/65/496417465.db2.gz JUSYTSMOPFCOCC-KSZLIROESA-N 2 0 358.530 3.028 20 0 FGADRP C[C@H]([NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(F)cc1N(C)C ZINC000162870446 496425288 /nfs/dbraw/zinc/42/52/88/496425288.db2.gz JBDDSZQYCCAKJH-BBWFWOEESA-N 2 0 351.510 3.432 20 0 FGADRP CC[S@@](=O)[C@H]1CCC[C@H]([NH2+][C@@H](C)c2cccc(OCC[NH+](C)C)c2)C1 ZINC000162875443 496427191 /nfs/dbraw/zinc/42/71/91/496427191.db2.gz KAZLIBACXNTVAT-BKNYKGDCSA-N 2 0 366.571 3.357 20 0 FGADRP CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000184556799 496439008 /nfs/dbraw/zinc/43/90/08/496439008.db2.gz ZTWKWGPDMBPQMV-OAQYLSRUSA-N 2 0 372.557 3.069 20 0 FGADRP C[C@@]1(CO)CCC[NH+]1Cc1cc(Cl)cc(C[N@H+]2CCC[C@@]2(C)CO)c1 ZINC000578025974 505844684 /nfs/dbraw/zinc/84/46/84/505844684.db2.gz LKDTTZQBBMVUPU-PMACEKPBSA-N 2 0 366.933 3.034 20 0 FGADRP C[NH+](C)CCC1CC[NH+](C[C@H](O)COc2ccccc2C(F)(F)F)CC1 ZINC000181569674 496450318 /nfs/dbraw/zinc/45/03/18/496450318.db2.gz NXWPXWJBHMXQFY-INIZCTEOSA-N 2 0 374.447 3.109 20 0 FGADRP C[C@@H](CCNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)[NH+](C)Cc1ccccc1 ZINC000175592332 496454618 /nfs/dbraw/zinc/45/46/18/496454618.db2.gz YPYCDJONSQXDTE-XSLAUPDRSA-N 2 0 372.557 3.212 20 0 FGADRP CC(C)[NH2+]C1CCN(C(=O)N[C@H](C[N@H+](C)Cc2ccccc2)C(C)C)CC1 ZINC000187481053 496459996 /nfs/dbraw/zinc/45/99/96/496459996.db2.gz ITRYATCGAQXHOH-OAQYLSRUSA-N 2 0 374.573 3.315 20 0 FGADRP C[C@H]([NH2+]C[C@@H]1CCN(CC(F)(F)F)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000163126516 496469125 /nfs/dbraw/zinc/46/91/25/496469125.db2.gz AUDFKFDGRFFGOZ-HOTGVXAUSA-N 2 0 373.463 3.162 20 0 FGADRP C[NH+](C)[C@H]1CCc2cc(NC(=O)NC[C@H]3[NH2+]CCc4ccccc43)ccc21 ZINC000569083642 505848195 /nfs/dbraw/zinc/84/81/95/505848195.db2.gz HBVXJKWCMKQYTO-RTWAWAEBSA-N 2 0 364.493 3.244 20 0 FGADRP Cc1ccsc1[C@@H](C)[NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000163516557 496526368 /nfs/dbraw/zinc/52/63/68/496526368.db2.gz VRIYNUVVQVLUCR-OAHLLOKOSA-N 2 0 351.560 3.334 20 0 FGADRP CCc1ccc([C@H](CNC(=O)CC[C@@H]([NH3+])c2ccccc2)[NH+](C)C)cc1 ZINC000163599886 496536376 /nfs/dbraw/zinc/53/63/76/496536376.db2.gz XSUTUABUCMEJLE-RTWAWAEBSA-N 2 0 353.510 3.448 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NCc2ccccc2C[NH+]2CCCC2)[C@H](C)C1 ZINC000178688883 496541476 /nfs/dbraw/zinc/54/14/76/496541476.db2.gz YNLMKFFXGKSTJT-NQIIRXRSSA-N 2 0 372.557 3.154 20 0 FGADRP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1CCC(=O)N[C@@H](c1cccs1)c1ccccc1 ZINC000580841512 505850455 /nfs/dbraw/zinc/85/04/55/505850455.db2.gz RQJFPYIEQUROEB-OXFYSEKESA-N 2 0 357.523 3.155 20 0 FGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+][C@@H](C)CCn2cccn2)CC1 ZINC000157744590 496542891 /nfs/dbraw/zinc/54/28/91/496542891.db2.gz QGFVVLVOPLMPTL-ZWKOTPCHSA-N 2 0 373.520 3.294 20 0 FGADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)NCc2ccccc2C[NH+](C)C(C)C)C1 ZINC000157825431 496564371 /nfs/dbraw/zinc/56/43/71/496564371.db2.gz AWTGYYNCSARVBG-LJQANCHMSA-N 2 0 374.573 3.304 20 0 FGADRP Cc1nccnc1[C@@H](C)[NH2+]CCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000187847115 496593407 /nfs/dbraw/zinc/59/34/07/496593407.db2.gz AATCBTQHVIAVSK-GOSISDBHSA-N 2 0 353.514 3.038 20 0 FGADRP Cc1cccnc1[C@@H]([NH2+]CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)C(C)C ZINC000184985035 496611835 /nfs/dbraw/zinc/61/18/35/496611835.db2.gz KHGVPWNBVLAHBJ-CTNGQTDRSA-N 2 0 368.525 3.096 20 0 FGADRP Cc1cccc2c(CC[NH2+][C@@H]3CC[N@@H+](C[C@@H]4CCCO4)C[C@@H]3C)c[nH]c21 ZINC000164437775 496612032 /nfs/dbraw/zinc/61/20/32/496612032.db2.gz VCGNSILVAFIDIT-HFSMHLIXSA-N 2 0 355.526 3.498 20 0 FGADRP CC1CC[NH+](Cc2ccccc2CNC(=O)[C@@H]([NH3+])Cc2ccccc2)CC1 ZINC000164583077 496621094 /nfs/dbraw/zinc/62/10/94/496621094.db2.gz ZAFPMQAOBOOONU-QFIPXVFZSA-N 2 0 365.521 3.105 20 0 FGADRP CCC[N@@H+]1CC[C@H](CNC(=O)N(Cc2ccccc2)C2CC[NH+](C)CC2)C1 ZINC000175967398 496621890 /nfs/dbraw/zinc/62/18/90/496621890.db2.gz VCRMYLGRWIKKTD-HXUWFJFHSA-N 2 0 372.557 3.024 20 0 FGADRP C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000158134900 496635026 /nfs/dbraw/zinc/63/50/26/496635026.db2.gz ULIMMLGCRQCRSK-ZIAGYGMSSA-N 2 0 357.420 3.354 20 0 FGADRP CC[C@H](CNC(=O)CC[C@@H]([NH3+])c1ccccc1)[N@@H+]1CCc2ccccc2C1 ZINC000164948275 496641352 /nfs/dbraw/zinc/64/13/52/496641352.db2.gz VKFGXQNYVZWOBT-FGZHOGPDSA-N 2 0 365.521 3.420 20 0 FGADRP C[C@H](C[NH2+]C1CCN(C(=O)c2ccc(Cl)cc2)CC1)C[NH+]1CCCC1 ZINC000165321279 496656159 /nfs/dbraw/zinc/65/61/59/496656159.db2.gz OBYYLLIDMIKXSN-MRXNPFEDSA-N 2 0 363.933 3.266 20 0 FGADRP C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000158237121 496657218 /nfs/dbraw/zinc/65/72/18/496657218.db2.gz OWCMPOMMEAVNPY-ZIAGYGMSSA-N 2 0 373.419 3.234 20 0 FGADRP CC[C@@H](C(=O)N1CCC([NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1)c1ccccc1 ZINC000166414825 496686434 /nfs/dbraw/zinc/68/64/34/496686434.db2.gz LRJUBHXYLGRACW-YPAWHYETSA-N 2 0 369.553 3.388 20 0 FGADRP COCCC[NH+]1CCC([NH2+][C@@H](C)Cc2ccc(Br)cc2)CC1 ZINC000188174804 496708362 /nfs/dbraw/zinc/70/83/62/496708362.db2.gz AMEVFOXHKIRCNK-HNNXBMFYSA-N 2 0 369.347 3.471 20 0 FGADRP C[C@H](C(=O)Nc1cccc(OCCC[NH+](C)C)c1)[C@H]([NH3+])c1ccccc1 ZINC000168767162 496711735 /nfs/dbraw/zinc/71/17/35/496711735.db2.gz KYJBYWRDVHWOAC-JXFKEZNVSA-N 2 0 355.482 3.292 20 0 FGADRP Cc1cc2cc([C@H](C)[NH2+]CCCC[NH+]3CCN(CCO)CC3)oc2cc1C ZINC000168899951 496712719 /nfs/dbraw/zinc/71/27/19/496712719.db2.gz VQDAQXBITPSCCY-IBGZPJMESA-N 2 0 373.541 3.090 20 0 FGADRP COc1ccc(C[C@@H](C)C[NH+]2CCC(C[NH+]3CCOCC3)CC2)cc1F ZINC000185238180 496714151 /nfs/dbraw/zinc/71/41/51/496714151.db2.gz LLONFKHYJZQVDT-QGZVFWFLSA-N 2 0 364.505 3.057 20 0 FGADRP CC(C)n1cc([C@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H]2CO)cn1 ZINC000182248915 496719688 /nfs/dbraw/zinc/71/96/88/496719688.db2.gz USIUJNQYVQCUAA-LAUBAEHRSA-N 2 0 356.514 3.272 20 0 FGADRP COc1cccc2c1CCC[C@H]2[NH2+]Cc1cccnc1N1CC[NH+](C)CC1 ZINC000194868658 496741902 /nfs/dbraw/zinc/74/19/02/496741902.db2.gz BBQGHBZSNJWHMR-HXUWFJFHSA-N 2 0 366.509 3.009 20 0 FGADRP COc1ccc(Cl)cc1N1CC[C@H]([NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)C1 ZINC000247061991 496766391 /nfs/dbraw/zinc/76/63/91/496766391.db2.gz PONDWBPJYRNQDB-TXCZRRACSA-N 2 0 351.922 3.246 20 0 FGADRP CC(C)[NH+]1CCC(N2CC[NH+](CCCOCc3ccccc3)CC2)CC1 ZINC000273317810 496772771 /nfs/dbraw/zinc/77/27/71/496772771.db2.gz ORYWAUUERQIUES-UHFFFAOYSA-N 2 0 359.558 3.084 20 0 FGADRP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000273342309 496778625 /nfs/dbraw/zinc/77/86/25/496778625.db2.gz AQIGHNXFCRKAFD-NQIIRXRSSA-N 2 0 372.557 3.195 20 0 FGADRP COc1ccc(NC(=O)CC[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)cc1Cl ZINC000268893098 496816380 /nfs/dbraw/zinc/81/63/80/496816380.db2.gz MBBPNXJSVCVSKW-PBHICJAKSA-N 2 0 365.905 3.093 20 0 FGADRP CC[NH+](CC)CCOc1ccc(C[NH2+][C@H](C)c2cnn(C)c2)cc1OC ZINC000268898396 496818147 /nfs/dbraw/zinc/81/81/47/496818147.db2.gz WEUTXAAVEYGATK-MRXNPFEDSA-N 2 0 360.502 3.000 20 0 FGADRP C[C@@H]([NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(-n2cncn2)cc1 ZINC000195134459 496830127 /nfs/dbraw/zinc/83/01/27/496830127.db2.gz GDGJNBQPUYRTAG-UYAOXDASSA-N 2 0 361.493 3.440 20 0 FGADRP C[C@H]([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)c1ccc(-n2cccn2)cc1 ZINC000268980234 496841386 /nfs/dbraw/zinc/84/13/86/496841386.db2.gz CSKPNLCSNVMDEM-ZWKOTPCHSA-N 2 0 354.498 3.024 20 0 FGADRP C[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1)C1CCCCC1 ZINC000247373076 496847141 /nfs/dbraw/zinc/84/71/41/496847141.db2.gz SGNXHKRUPLUBDP-LAUBAEHRSA-N 2 0 357.542 3.442 20 0 FGADRP C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]CCCC[NH+](C)C ZINC000269021891 496850563 /nfs/dbraw/zinc/85/05/63/496850563.db2.gz PVCHCQGRBGTXHQ-ZDUSSCGKSA-N 2 0 356.308 3.098 20 0 FGADRP O=C(C1CC[NH+](Cc2ccccc2)CC1)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000264394138 496890651 /nfs/dbraw/zinc/89/06/51/496890651.db2.gz AKRLYJIOELJHQB-QFIPXVFZSA-N 2 0 369.553 3.376 20 0 FGADRP COc1ccc(Cl)cc1NC(=O)CC[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000248001933 496940985 /nfs/dbraw/zinc/94/09/85/496940985.db2.gz KLSPSKTUWYULIT-WMLDXEAASA-N 2 0 365.905 3.093 20 0 FGADRP C[N@@H+](Cc1ccccc1)CC1CC[NH+](C[C@H]2CC3(CCC3)C(=O)O2)CC1 ZINC000191985611 496953828 /nfs/dbraw/zinc/95/38/28/496953828.db2.gz IZMZACDIPOXSGK-HXUWFJFHSA-N 2 0 356.510 3.316 20 0 FGADRP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000195636020 496955465 /nfs/dbraw/zinc/95/54/65/496955465.db2.gz GXRXXRZOSGAOMF-RTBURBONSA-N 2 0 372.557 3.202 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2ccc([S@](C)=O)cc2)[C@@H](C)C1 ZINC000248120097 496956567 /nfs/dbraw/zinc/95/65/67/496956567.db2.gz NGAIEBOSQKBQRO-LCUZSREJSA-N 2 0 366.571 3.212 20 0 FGADRP CCOc1ccccc1[C@H](CC)NC(=O)CN1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000248139552 496962021 /nfs/dbraw/zinc/96/20/21/496962021.db2.gz PMWDNZYMXRGZGT-IHPCNDPISA-N 2 0 373.541 3.069 20 0 FGADRP C[C@H](NC(=O)CN1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1)c1cccc2ccccc21 ZINC000248184741 496971182 /nfs/dbraw/zinc/97/11/82/496971182.db2.gz XBZHGVZPIDWYLT-JLMWRMLUSA-N 2 0 365.521 3.433 20 0 FGADRP C[N@@H+]1CCC[C@@H]2CN(CC(=O)N[C@H](c3cccs3)C(C)(C)C)CC[C@@H]21 ZINC000248214944 496972911 /nfs/dbraw/zinc/97/29/11/496972911.db2.gz ZLRDVTANSLGBBP-JTDSTZFVSA-N 2 0 363.571 3.368 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)NCC2(C)CC[NH2+]CC2)cc1 ZINC000578171299 505877839 /nfs/dbraw/zinc/87/78/39/505877839.db2.gz ZPXMKKVXTGAIMM-GOSISDBHSA-N 2 0 372.557 3.250 20 0 FGADRP C[NH+]1CCN(c2cc(C[NH2+][C@H]3CC[C@@H](Cc4ccccc4)C3)ccn2)CC1 ZINC000189046859 496990416 /nfs/dbraw/zinc/99/04/16/496990416.db2.gz GGVKYSMJOSSYSE-UNMCSNQZSA-N 2 0 364.537 3.334 20 0 FGADRP C[C@H](CNC(=O)N[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)[NH+]1CCC[C@@H](C)C1 ZINC000248395684 496994647 /nfs/dbraw/zinc/99/46/47/496994647.db2.gz GOJCDJDXQUDMGQ-MKXGPGLRSA-N 2 0 364.578 3.059 20 0 FGADRP c1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH2+]CCCOC4CCOCC4)[C@H]3C2)cc1 ZINC000248409293 497001137 /nfs/dbraw/zinc/00/11/37/497001137.db2.gz WMLGQKNWNRYRHO-ACIOBRDBSA-N 2 0 372.553 3.462 20 0 FGADRP C[C@@H]1C[N@@H+](CCCC[NH2+]Cc2cnn(Cc3ccc(F)cc3)c2)C[C@H](C)O1 ZINC000189093383 497006037 /nfs/dbraw/zinc/00/60/37/497006037.db2.gz SBAUAQQWDCCCKT-HDICACEKSA-N 2 0 374.504 3.050 20 0 FGADRP OCC[NH+]1CCC(C[NH2+]Cc2cc(Cl)cc(C(F)(F)F)c2)CC1 ZINC000189165292 497029913 /nfs/dbraw/zinc/02/99/13/497029913.db2.gz PENUYOQPRJBUSK-UHFFFAOYSA-N 2 0 350.812 3.153 20 0 FGADRP c1cc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)cc(OC2CCOCC2)n1 ZINC000574910995 505881934 /nfs/dbraw/zinc/88/19/34/505881934.db2.gz KNVUNWKUCIMRFP-VAMGGRTRSA-N 2 0 359.514 3.040 20 0 FGADRP CC[N@H+](C)Cc1cccc(CNC(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)c1 ZINC000270360529 497110593 /nfs/dbraw/zinc/11/05/93/497110593.db2.gz RLKZQPCNTKKZNA-OAQYLSRUSA-N 2 0 372.557 3.012 20 0 FGADRP CN1CC[NH+](CC2CC[NH+](Cc3ccc(SC(F)F)cc3)CC2)CC1 ZINC000265442959 497120894 /nfs/dbraw/zinc/12/08/94/497120894.db2.gz QRJCZZFXKUTDRS-UHFFFAOYSA-N 2 0 369.525 3.461 20 0 FGADRP CC1CC[NH+](C[C@@H]2CCCN(C(=O)CC[C@H]([NH3+])c3ccccc3)C2)CC1 ZINC000236624624 497122565 /nfs/dbraw/zinc/12/25/65/497122565.db2.gz JBMPVUYEZJNQOD-FPOVZHCZSA-N 2 0 357.542 3.437 20 0 FGADRP C[C@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1cc(Cl)c(N)c(Cl)c1 ZINC000270434705 497127698 /nfs/dbraw/zinc/12/76/98/497127698.db2.gz JGPULVIRSKAVNX-LBPRGKRZSA-N 2 0 359.345 3.252 20 0 FGADRP CC(C)(CNC(=O)C[C@@H]([NH3+])c1ccccc1)[N@@H+]1CCc2ccccc2C1 ZINC000236658301 497128841 /nfs/dbraw/zinc/12/88/41/497128841.db2.gz KIRACDLGQDBTSI-HXUWFJFHSA-N 2 0 351.494 3.030 20 0 FGADRP CC(C)[C@H](CNC(=O)C[C@@H](C)C1CC[NH2+]CC1)[N@@H+]1CCc2ccccc2C1 ZINC000236659186 497129073 /nfs/dbraw/zinc/12/90/73/497129073.db2.gz IVPUEAIWXOAGDM-GCJKJVERSA-N 2 0 371.569 3.211 20 0 FGADRP C[C@H](Cc1ccc(Br)cc1)[NH2+]C[C@H](O)C[NH+]1CCC(C)CC1 ZINC000236709127 497136214 /nfs/dbraw/zinc/13/62/14/497136214.db2.gz CCZNXYYVWCLIEK-QAPCUYQASA-N 2 0 369.347 3.063 20 0 FGADRP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2C ZINC000248924817 497136648 /nfs/dbraw/zinc/13/66/48/497136648.db2.gz FQPBQNVPVYXARS-HKBOAZHASA-N 2 0 372.557 3.021 20 0 FGADRP CC(=O)NC1CCC([NH2+][C@H]2[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000248933863 497136767 /nfs/dbraw/zinc/13/67/67/497136767.db2.gz YBTWKRNSSIGEKG-KMZZAYNNSA-N 2 0 357.542 3.180 20 0 FGADRP CCCC[N@H+](CC)Cc1cccc(CNC(=O)[C@@H]2CC23CC[NH2+]CC3)c1 ZINC000236728173 497138362 /nfs/dbraw/zinc/13/83/62/497138362.db2.gz VCCKOQUYKLHXNC-FQEVSTJZSA-N 2 0 357.542 3.315 20 0 FGADRP C[NH+](C)CCn1ccc2ccc(NC(=O)[C@@H]3CCCCCC[C@@H]3[NH3+])cc21 ZINC000237000305 497178426 /nfs/dbraw/zinc/17/84/26/497178426.db2.gz MDVWGSPTJDKLPA-MOPGFXCFSA-N 2 0 356.514 3.439 20 0 FGADRP COC[C@@H]([NH2+]Cc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1)C1CCOCC1 ZINC000249204628 497180521 /nfs/dbraw/zinc/18/05/21/497180521.db2.gz VKZQIVYWIPLPBM-XMSQKQJNSA-N 2 0 360.542 3.450 20 0 FGADRP C[NH+]1CCC(C[NH2+]Cc2cccc3c2OC(C)(C)C3)(N2CCCCC2)CC1 ZINC000237065793 497186368 /nfs/dbraw/zinc/18/63/68/497186368.db2.gz UGXTTWLESAXMOI-UHFFFAOYSA-N 2 0 371.569 3.440 20 0 FGADRP CC(C)(C)c1ccc([C@@H]2CCCN2C(=O)CN2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000581011793 505890420 /nfs/dbraw/zinc/89/04/20/505890420.db2.gz KCHWZBSONUSMBI-DYXWJJEUSA-N 2 0 369.553 3.189 20 0 FGADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)NCCCC[NH+]2CCCC[C@H]2C)C1 ZINC000249517737 497216658 /nfs/dbraw/zinc/21/66/58/497216658.db2.gz HJXGSGSMTZTNPJ-WOJBJXKFSA-N 2 0 366.594 3.452 20 0 FGADRP CCC[N@@H+]1CC[C@@H](CNC(=O)NC[C@H](c2ccccc2)[NH+](CC)CC)C1 ZINC000249734723 497239752 /nfs/dbraw/zinc/23/97/52/497239752.db2.gz DNMFMDXAQGJNJU-AZUAARDMSA-N 2 0 360.546 3.101 20 0 FGADRP C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)CCC3CC[NH2+]CC3)cc2)C1 ZINC000237475308 497242763 /nfs/dbraw/zinc/24/27/63/497242763.db2.gz GSJGBLCWTRIFFD-GOSISDBHSA-N 2 0 357.542 3.315 20 0 FGADRP C[C@@H]1C[C@H](N(C)C(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)CC[N@@H+]1Cc1ccccc1 ZINC000237490431 497246124 /nfs/dbraw/zinc/24/61/24/497246124.db2.gz RJYKWPCILKESHN-YYDGMXKLSA-N 2 0 369.553 3.419 20 0 FGADRP C[C@@H]1C[C@H](CCNC(=O)C[C@H]([NH3+])c2ccccc2)C[N@@H+]1Cc1ccccc1 ZINC000578235775 505894908 /nfs/dbraw/zinc/89/49/08/505894908.db2.gz XNYKBLANJXVWBD-CBQOVEMMSA-N 2 0 365.521 3.493 20 0 FGADRP C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)CCC3CC[NH2+]CC3)cc2)C1 ZINC000237673661 497273829 /nfs/dbraw/zinc/27/38/29/497273829.db2.gz GSJGBLCWTRIFFD-SFHVURJKSA-N 2 0 357.542 3.315 20 0 FGADRP CN(CCC[N@H+](C)Cc1ccncc1)C(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC000572126854 505896478 /nfs/dbraw/zinc/89/64/78/505896478.db2.gz OOBHCMBTQRYWGV-HXUWFJFHSA-N 2 0 372.557 3.017 20 0 FGADRP Cc1cccn2cc(COc3ccc(C[NH2+][C@@H]4CCCOC4)cc3)nc12 ZINC000237857126 497302737 /nfs/dbraw/zinc/30/27/37/497302737.db2.gz BHRXZZSDMVUOKW-GOSISDBHSA-N 2 0 351.450 3.490 20 0 FGADRP [NH3+][C@@H]1CCCCCC[C@@H]1C(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000237881156 497307014 /nfs/dbraw/zinc/30/70/14/497307014.db2.gz QBAQXYVWNYNKII-RBUKOAKNSA-N 2 0 361.555 3.472 20 0 FGADRP O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)NCc1ccccc1C[NH+]1CCCCC1 ZINC000237887744 497307922 /nfs/dbraw/zinc/30/79/22/497307922.db2.gz OVJAKHKLXSBTGH-PRJVBOEPSA-N 2 0 355.526 3.209 20 0 FGADRP O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000237900114 497310298 /nfs/dbraw/zinc/31/02/98/497310298.db2.gz OXMVCGNTAWYRQV-JLYLLQBASA-N 2 0 359.539 3.095 20 0 FGADRP [NH3+][C@H](CCC(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000237936603 497317163 /nfs/dbraw/zinc/31/71/63/497317163.db2.gz MSBBOIWGOFZJDD-NHCUHLMSSA-N 2 0 351.494 3.247 20 0 FGADRP O=C(NCc1ccccc1C[NH+]1CCCCC1)[C@H]1[NH2+]CCc2ccccc21 ZINC000238029981 497330065 /nfs/dbraw/zinc/33/00/65/497330065.db2.gz IUPQHNORYFHECF-QFIPXVFZSA-N 2 0 363.505 3.176 20 0 FGADRP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000279178389 497358525 /nfs/dbraw/zinc/35/85/25/497358525.db2.gz JYYHCQSKBXRGEJ-JBACZVJFSA-N 2 0 357.542 3.087 20 0 FGADRP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)CCc2ncc[nH]2)C1 ZINC000279183062 497359874 /nfs/dbraw/zinc/35/98/74/497359874.db2.gz KLEHAURVZFIVDE-IAGOWNOFSA-N 2 0 354.498 3.137 20 0 FGADRP C[C@H](CNC(=O)NCCC[N@H+](C)C1CCCCC1)[NH+]1CCC[C@H](C)C1 ZINC000255955879 497380561 /nfs/dbraw/zinc/38/05/61/497380561.db2.gz FOIQZIAMONSGDK-ZWKOTPCHSA-N 2 0 352.567 3.061 20 0 FGADRP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)c1ccc(OC(F)F)cc1 ZINC000271564376 497384321 /nfs/dbraw/zinc/38/43/21/497384321.db2.gz XNWHUWVIQLWEAO-KKXDTOCCSA-N 2 0 354.441 3.316 20 0 FGADRP CC[NH+](CC)[C@@H](C(=O)N1CC[C@@](C)(C[NH3+])C1)c1cccc(C(F)(F)F)c1 ZINC000261723457 497439794 /nfs/dbraw/zinc/43/97/94/497439794.db2.gz CNIYLUNVBUTXKE-AEFFLSMTSA-N 2 0 371.447 3.286 20 0 FGADRP Cc1ccc([C@@H](CCn2cncn2)[NH2+]C[C@@H]2CCC[N@@H+](C(C)C)C2)cc1 ZINC000275845507 497445665 /nfs/dbraw/zinc/44/56/65/497445665.db2.gz KCURCLRCEAMYQY-PZJWPPBQSA-N 2 0 355.530 3.428 20 0 FGADRP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)c1cccc(C[N@H+](C)Cc2ccccc2)c1 ZINC000261835918 497458835 /nfs/dbraw/zinc/45/88/35/497458835.db2.gz OPNIJRJILMOFAW-XLIONFOSSA-N 2 0 351.494 3.128 20 0 FGADRP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)c1cccc(C[N@H+](C)Cc2ccccc2)c1 ZINC000261835920 497459576 /nfs/dbraw/zinc/45/95/76/497459576.db2.gz OPNIJRJILMOFAW-YLJYHZDGSA-N 2 0 351.494 3.128 20 0 FGADRP C[C@@H](C(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1)[C@@H]([NH3+])c1ccccc1 ZINC000261848910 497461108 /nfs/dbraw/zinc/46/11/08/497461108.db2.gz WMDFNLPKYVILBI-XMSQKQJNSA-N 2 0 365.521 3.446 20 0 FGADRP C[NH2+]CCC1CC[NH+](Cc2cc(OC)c(OC)cc2Br)CC1 ZINC000261961223 497483463 /nfs/dbraw/zinc/48/34/63/497483463.db2.gz OUDVBMTVNRGFAD-UHFFFAOYSA-N 2 0 371.319 3.288 20 0 FGADRP C[NH+](C)Cc1ccnc(NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)c1 ZINC000267287804 497517238 /nfs/dbraw/zinc/51/72/38/497517238.db2.gz UOBPDLKOVDDGIA-UHFFFAOYSA-N 2 0 352.482 3.381 20 0 FGADRP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+]C2CCC4(CC2)OCCO4)C3)cc1 ZINC000245729429 497519594 /nfs/dbraw/zinc/51/95/94/497519594.db2.gz PZANBLNZXQCDMJ-MZADTFQBSA-N 2 0 356.510 3.457 20 0 FGADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000193917792 497519702 /nfs/dbraw/zinc/51/97/02/497519702.db2.gz VPVOMVYZVIMQRR-HOTGVXAUSA-N 2 0 363.933 3.293 20 0 FGADRP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccccc2N(C)C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000245734286 497520800 /nfs/dbraw/zinc/52/08/00/497520800.db2.gz KIIIBAPRBPCSND-SIKLNZKXSA-N 3 0 372.601 3.379 20 0 FGADRP CCN(C(=O)CN1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1)c1cccc2ccccc21 ZINC000578324101 505914633 /nfs/dbraw/zinc/91/46/33/505914633.db2.gz QUKPKTWQKHWKRR-DFQSSKMNSA-N 2 0 351.494 3.252 20 0 FGADRP CC(C)[NH+]1CCC(NC(=O)N[C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000272265301 497580793 /nfs/dbraw/zinc/58/07/93/497580793.db2.gz NBXLRXBIJGWRGO-QUCCMNQESA-N 2 0 372.557 3.069 20 0 FGADRP CCC(CC)[C@H](CNC(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21)[NH+]1CCCC1 ZINC000245954260 497583358 /nfs/dbraw/zinc/58/33/58/497583358.db2.gz LNVFIKNLDIJZCF-AQNXPRMDSA-N 2 0 364.578 3.013 20 0 FGADRP [NH3+]CC1(CC(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)CCCCC1 ZINC000262617906 497584398 /nfs/dbraw/zinc/58/43/98/497584398.db2.gz CBRGWDRRQILUAD-QGZVFWFLSA-N 2 0 363.571 3.376 20 0 FGADRP CN(CC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)CC(F)(F)F ZINC000272281154 497585601 /nfs/dbraw/zinc/58/56/01/497585601.db2.gz ACOKLQHIVGVNQM-NNZMDNLPSA-N 2 0 355.448 3.266 20 0 FGADRP C[C@@H]1C[C@H](N(C)C(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)CC[N@@H+]1Cc1ccccc1 ZINC000262674870 497597367 /nfs/dbraw/zinc/59/73/67/497597367.db2.gz RJYKWPCILKESHN-IWTFSIHTSA-N 2 0 369.553 3.419 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1ccccc1C[NH+](C)C ZINC000581132702 505917386 /nfs/dbraw/zinc/91/73/86/505917386.db2.gz MMNKSXQFBSXUPF-GCJKJVERSA-N 2 0 365.521 3.389 20 0 FGADRP CCCC[NH+]1CCC(NC(=O)[C@@H]2C[NH2+]C[C@H]2c2ccc(Cl)cc2)CC1 ZINC000578334808 505917616 /nfs/dbraw/zinc/91/76/16/505917616.db2.gz ZGSXSZBUYHQKNT-RBUKOAKNSA-N 2 0 363.933 3.024 20 0 FGADRP C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)[C@H]2CCCC[C@@]2(C)[NH3+])CC1 ZINC000262737733 497612236 /nfs/dbraw/zinc/61/22/36/497612236.db2.gz CHISMUQOCFWILC-IFMALSPDSA-N 2 0 357.542 3.265 20 0 FGADRP CC[NH+](CC)C[C@H]1CC[N@H+](C[C@@H](O)Cc2ccc(C(F)(F)F)cc2)C1 ZINC000246094318 497619759 /nfs/dbraw/zinc/61/97/59/497619759.db2.gz JMDOVZGDEJURNL-AEFFLSMTSA-N 2 0 358.448 3.273 20 0 FGADRP C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)[C@@](C)([NH3+])c2ccccc2)CC1 ZINC000262817815 497628395 /nfs/dbraw/zinc/62/83/95/497628395.db2.gz GLNUJYSOTDMSEB-QHCPKHFHSA-N 2 0 365.521 3.231 20 0 FGADRP CCO[C@H](CC[NH+](C)C)C[NH2+]Cc1ccccc1OCc1cccnc1 ZINC000267847681 497629472 /nfs/dbraw/zinc/62/94/72/497629472.db2.gz DKSBIWFKQOYFJM-HXUWFJFHSA-N 2 0 357.498 3.107 20 0 FGADRP O=C(NCCC[NH+]1CCCCC1)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000194304361 497629633 /nfs/dbraw/zinc/62/96/33/497629633.db2.gz ZHOIRQSYAJHVKU-UHFFFAOYSA-N 2 0 372.557 3.074 20 0 FGADRP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1sccc1C[NH+](C)C ZINC000268004763 497656487 /nfs/dbraw/zinc/65/64/87/497656487.db2.gz DZSAHRJFUSMDTE-SFHVURJKSA-N 2 0 371.550 3.404 20 0 FGADRP C[C@@H](C(=O)Nc1ccc(C(F)(F)F)cc1)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000246197820 497657153 /nfs/dbraw/zinc/65/71/53/497657153.db2.gz VFGIXNVYXQFQSS-KBPBESRZSA-N 2 0 357.420 3.306 20 0 FGADRP C[C@H](c1ccc(F)cc1)N(C)C(=O)C[N@@H+]1CC[C@@H](C)[C@H](n2ccnc2)C1 ZINC000246380355 497714428 /nfs/dbraw/zinc/71/44/28/497714428.db2.gz ZMDNEHMNLSVOMV-GPMSIDNRSA-N 2 0 358.461 3.125 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@@H](C(C)C)[NH+]2CCC(C)CC2)[C@@H](C)C1 ZINC000246392213 497717739 /nfs/dbraw/zinc/71/77/39/497717739.db2.gz JEQVRXKEUOBWSA-UFYCRDLUSA-N 2 0 366.594 3.115 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)[C@@H](C)C1 ZINC000246432708 497732546 /nfs/dbraw/zinc/73/25/46/497732546.db2.gz MTTVVBYDNGVZKK-JBACZVJFSA-N 2 0 372.557 3.195 20 0 FGADRP Cc1ccc(-c2nc(C[NH2+]CC3(O)CC[NH+](C(C)C)CC3)cs2)cc1 ZINC000268397497 497741313 /nfs/dbraw/zinc/74/13/13/497741313.db2.gz AVAPQOBJZVKXIO-UHFFFAOYSA-N 2 0 359.539 3.443 20 0 FGADRP CC[NH+](CC)Cc1ccccc1CNC(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+] ZINC000263258037 497743482 /nfs/dbraw/zinc/74/34/82/497743482.db2.gz RMWOIJMKTPBHNI-AGXSTUJCSA-N 2 0 357.542 3.298 20 0 FGADRP C[C@H](C(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1)[C@H]([NH3+])c1ccccc1 ZINC000263262460 497744200 /nfs/dbraw/zinc/74/42/00/497744200.db2.gz MVHPSMMACCUKDU-QKLQHJQFSA-N 2 0 371.550 3.412 20 0 FGADRP Cc1ccoc1C(=O)NCCC[NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272853211 497745792 /nfs/dbraw/zinc/74/57/92/497745792.db2.gz SWVXKWLQWPZPCV-UYAOXDASSA-N 2 0 369.509 3.208 20 0 FGADRP CC1CC[NH+](Cc2ccccc2CNC(=O)[C@H]2CCCC[C@@]2(C)[NH3+])CC1 ZINC000263290996 497751248 /nfs/dbraw/zinc/75/12/48/497751248.db2.gz VSMALPCPLAZPHK-IFMALSPDSA-N 2 0 357.542 3.442 20 0 FGADRP CC[NH+]1CCN(c2ccc(NC(=O)[C@@H]([NH3+])c3ccc(C)cc3)c(C)c2)CC1 ZINC000280434997 497752656 /nfs/dbraw/zinc/75/26/56/497752656.db2.gz BMIRRDVWUYNAQL-NRFANRHFSA-N 2 0 366.509 3.084 20 0 FGADRP COc1ccccc1[C@@H](C)NC(=O)[C@@H](C)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000194736067 497754330 /nfs/dbraw/zinc/75/43/30/497754330.db2.gz MUALVSQKLLAFPU-QZTJIDSGSA-N 2 0 373.541 3.069 20 0 FGADRP O[C@@H](Cc1ccccc1C(F)(F)F)C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246723373 497804418 /nfs/dbraw/zinc/80/44/18/497804418.db2.gz OFHHCVFETUUOQO-RDJZCZTQSA-N 2 0 356.432 3.027 20 0 FGADRP O[C@H](Cc1ccccc1C(F)(F)F)C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246723363 497804426 /nfs/dbraw/zinc/80/44/26/497804426.db2.gz OFHHCVFETUUOQO-DOTOQJQBSA-N 2 0 356.432 3.027 20 0 FGADRP CC[NH+](CC)Cc1ccccc1CNC(=O)N(C)[C@@H]1CC[N@H+](C)C[C@H]1C ZINC000246734979 497805844 /nfs/dbraw/zinc/80/58/44/497805844.db2.gz XXZUXGYRIKVWFV-YLJYHZDGSA-N 2 0 360.546 3.010 20 0 FGADRP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)NC[C@H]2CCC[NH+]2Cc2ccccc2)C1 ZINC000246834137 497814927 /nfs/dbraw/zinc/81/49/27/497814927.db2.gz XTJYAVAIHWFAQM-LEWJYISDSA-N 2 0 372.557 3.071 20 0 FGADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+][C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000246870235 497817848 /nfs/dbraw/zinc/81/78/48/497817848.db2.gz CNXIEQANYBSWOZ-AHEZYBDSSA-N 2 0 366.347 3.346 20 0 FGADRP C[NH+](C)CCCOc1cnccc1CNCc1ccc(Br)o1 ZINC000288627394 497850311 /nfs/dbraw/zinc/85/03/11/497850311.db2.gz SHEKRCSPOHYZFT-UHFFFAOYSA-N 2 0 368.275 3.057 20 0 FGADRP CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)C12CCOCC2 ZINC000364234205 497853678 /nfs/dbraw/zinc/85/36/78/497853678.db2.gz BNYCVMHRYMSLMV-UWHLTILDSA-N 2 0 358.526 3.243 20 0 FGADRP Cc1cc(C)cc(NC(=[NH2+])NC[C@H]2CCC[N@H+](C)[C@H]2c2cnn(C)c2)c1 ZINC000364268990 497871574 /nfs/dbraw/zinc/87/15/74/497871574.db2.gz YDNNKPWCZVYFKV-VQIMIIECSA-N 2 0 354.502 3.056 20 0 FGADRP [NH3+]C[C@@H](NC(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1)c1ccc2ccccc2c1 ZINC000581240538 505941226 /nfs/dbraw/zinc/94/12/26/505941226.db2.gz JEZNUJRFOJJWNB-TZIWHRDSSA-N 2 0 366.509 3.156 20 0 FGADRP C[C@@H]1C[C@@H]([NH2+]CCCC[NH+]2CCN(c3ccccc3)CC2)c2nccn21 ZINC000296069480 497910667 /nfs/dbraw/zinc/91/06/67/497910667.db2.gz SBSDXRNUXBJOFE-UYAOXDASSA-N 2 0 353.514 3.081 20 0 FGADRP C[C@H]1CCC[N@H+](CCCC[NH2+][C@H]2CCS(=O)(=O)c3c(F)cccc32)C1 ZINC000364363449 497921068 /nfs/dbraw/zinc/92/10/68/497921068.db2.gz MCRCEFMGSIPKQX-YJBOKZPZSA-N 2 0 368.518 3.146 20 0 FGADRP COCCC[NH+]1CCC([NH2+][C@@H](C)[C@H](C)c2ccc(OC)c(OC)c2)CC1 ZINC000280875019 497932066 /nfs/dbraw/zinc/93/20/66/497932066.db2.gz MUYSGFRWODPZMH-IRXDYDNUSA-N 2 0 364.530 3.286 20 0 FGADRP Cc1c([C@H](C)[NH2+]C[C@@H]2CCCN(C)[C@H]2c2cnn(C)c2)cnn1C(C)(C)C ZINC000364437634 497957579 /nfs/dbraw/zinc/95/75/79/497957579.db2.gz DFYVIFPMKMHTCL-RIFZZMRRSA-N 2 0 372.561 3.414 20 0 FGADRP CN(C)c1ncc(C[NH+]2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)cn1 ZINC000364439981 497958760 /nfs/dbraw/zinc/95/87/60/497958760.db2.gz NSZQQLDGKQYLNX-UHFFFAOYSA-N 2 0 365.525 3.031 20 0 FGADRP C[C@H](CC(=O)N1CCN(Cc2ccccc2Cl)CC1)[C@H]1CCC[NH2+]C1 ZINC000572400822 505959854 /nfs/dbraw/zinc/95/98/54/505959854.db2.gz CLEBUDUQFJJYBW-SJORKVTESA-N 2 0 363.933 3.010 20 0 FGADRP COCCN(C)c1ccc(C[N@@H+]2CCC[C@H](n3ccnc3C(C)C)C2)cn1 ZINC000364504338 497991754 /nfs/dbraw/zinc/99/17/54/497991754.db2.gz OFGDXACRIKXOTE-IBGZPJMESA-N 2 0 371.529 3.321 20 0 FGADRP C[C@H]([NH2+]C1(CNC(=O)N2CCC[C@H](C[NH3+])C2)CCCC1)c1ccccc1 ZINC000575354347 505967527 /nfs/dbraw/zinc/96/75/27/505967527.db2.gz HFBLVVCTRWQLII-ZWKOTPCHSA-N 2 0 358.530 3.030 20 0 FGADRP CC[C@@H]([NH2+]CCCN1CC[NH+](C(C)C)CC1)c1ccc(OC)c(OC)c1 ZINC000285250437 498034676 /nfs/dbraw/zinc/03/46/76/498034676.db2.gz AMDJSWRZWHAMAH-LJQANCHMSA-N 2 0 363.546 3.161 20 0 FGADRP O=C(CC[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1)Nc1ccc(Cl)cc1F ZINC000581370126 505973050 /nfs/dbraw/zinc/97/30/50/505973050.db2.gz KHFYGWSOHWDNTE-CQSZACIVSA-N 2 0 353.869 3.129 20 0 FGADRP COc1ccc(Cl)cc1C[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000364661779 498074896 /nfs/dbraw/zinc/07/48/96/498074896.db2.gz XJFLIFNVMVUNCB-UHFFFAOYSA-N 2 0 365.949 3.198 20 0 FGADRP CC[C@H](C)[NH+]1CCN(C(=O)Nc2ccc([C@H](C)N3CCOCC3)cc2)CC1 ZINC000296568424 498099491 /nfs/dbraw/zinc/09/94/91/498099491.db2.gz GVCKDZJXTPGZRW-ROUUACIJSA-N 2 0 374.529 3.028 20 0 FGADRP CC(C)c1ccc([C@@H]([NH3+])CNC(=O)N2CC[N@@H+]([C@H]3C[C@@H]3C)C[C@H](C)C2)cc1 ZINC000581419212 505984474 /nfs/dbraw/zinc/98/44/74/505984474.db2.gz NTGHGVPRCCNGSH-USNOLKROSA-N 2 0 372.557 3.182 20 0 FGADRP C/C(=C\c1ccccc1OC(F)F)C[NH2+]C[C@H](C)CN1CC[NH+](C)CC1 ZINC000289420260 498139764 /nfs/dbraw/zinc/13/97/64/498139764.db2.gz CLCJKXARAHNHRA-MOKGIYGOSA-N 2 0 367.484 3.164 20 0 FGADRP CC[C@@H](C)[NH2+][C@H](CNC(=O)N1CCC[N@@H+](C(C)(C)C)CC1)c1ccco1 ZINC000572511960 505986667 /nfs/dbraw/zinc/98/66/67/505986667.db2.gz IQYNNZKZTPUIHW-IAGOWNOFSA-N 2 0 364.534 3.225 20 0 FGADRP CCN1CC[NH+](CCCC[NH2+][C@H](C)c2ccc(OC)c(OC)c2C)CC1 ZINC000285627995 498152060 /nfs/dbraw/zinc/15/20/60/498152060.db2.gz LDNSIWPFQSABDH-GOSISDBHSA-N 2 0 363.546 3.081 20 0 FGADRP CC[C@H](CNC(=O)N[C@@H]1C[C@H](C)n2ccnc21)[N@@H+]1CCc2ccccc2C1 ZINC000569665094 505987539 /nfs/dbraw/zinc/98/75/39/505987539.db2.gz CSAQTNPWEIJHKB-KFKAGJAMSA-N 2 0 367.497 3.025 20 0 FGADRP CC1(O)CCN(Cc2cc(Cl)cc(C[NH+]3CCC(C)(O)CC3)c2)CC1 ZINC000296762502 498186261 /nfs/dbraw/zinc/18/62/61/498186261.db2.gz LUZJQXFKLFTSQZ-UHFFFAOYSA-N 2 0 366.933 3.034 20 0 FGADRP COc1ccc(OC(F)F)c(C[NH+]2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)c1 ZINC000575725467 505993328 /nfs/dbraw/zinc/99/33/28/505993328.db2.gz FQFAPYOCULFFTH-AEFFLSMTSA-N 2 0 370.440 3.015 20 0 FGADRP Cc1cc(N[C@@H](CN2CC[NH+](C)CC2)c2ccccc2)nc(C(C)C)n1 ZINC000301641085 498201590 /nfs/dbraw/zinc/20/15/90/498201590.db2.gz MGHHIVWVTQSLKJ-IBGZPJMESA-N 2 0 353.514 3.309 20 0 FGADRP COCCC[C@H]([NH2+]C1CC[NH+](CCCOC)CC1)c1ccc(F)cc1 ZINC000281620846 498217092 /nfs/dbraw/zinc/21/70/92/498217092.db2.gz CCVWVAGWSBNHCN-FQEVSTJZSA-N 2 0 352.494 3.384 20 0 FGADRP C[C@H]([NH2+][C@@H]1CCC[C@@H](N2CCCC2=O)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000569743611 506005438 /nfs/dbraw/zinc/00/54/38/506005438.db2.gz BRJWJUHWQPYDLW-BDKRGJGYSA-N 2 0 369.553 3.420 20 0 FGADRP Cc1cc(N2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)c2cc(F)ccc2[nH+]1 ZINC000301810002 498274268 /nfs/dbraw/zinc/27/42/68/498274268.db2.gz BCQNFQSCUBAIBS-DFNIBXOVSA-N 2 0 368.500 3.430 20 0 FGADRP Cc1nc(NCc2cnc(N3CCN(C)CC3)nc2)ccc1-c1ccccc1 ZINC000289809788 498303512 /nfs/dbraw/zinc/30/35/12/498303512.db2.gz LMUSBIZOOQOJSX-UHFFFAOYSA-N 2 0 374.492 3.211 20 0 FGADRP Cc1cc([C@H](C)N[C@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)nn1C ZINC000281974119 498341182 /nfs/dbraw/zinc/34/11/82/498341182.db2.gz BQFDFXIFFRLDBA-CVEARBPZSA-N 2 0 359.493 3.031 20 0 FGADRP COc1ccc([C@H]2[C@@H](CNC3C[C@H]4CC[C@@H](C3)[N@H+]4C)CCC[NH+]2C)cc1 ZINC000365236263 498366995 /nfs/dbraw/zinc/36/69/95/498366995.db2.gz SLUWCCOPPPQCTL-XVYSMGQJSA-N 2 0 357.542 3.293 20 0 FGADRP COc1ccc([C@@H](C)[NH2+]Cc2cccc(CN3CCO[C@@H](C)C3)c2)cc1O ZINC000289961975 498371233 /nfs/dbraw/zinc/37/12/33/498371233.db2.gz XBDHMLAWCHJNHI-DLBZAZTESA-N 2 0 370.493 3.472 20 0 FGADRP C[C@@H]([NH2+]Cc1ccc(F)c(C[NH+](C)C)c1)c1ccccc1-n1ccnn1 ZINC000286351130 498373217 /nfs/dbraw/zinc/37/32/17/498373217.db2.gz YTGQSBGRKYJLBU-OAHLLOKOSA-N 2 0 353.445 3.319 20 0 FGADRP CC1CC[NH+](Cc2ccc(CNC(=O)N3CCC(CC[NH3+])CC3)cc2)CC1 ZINC000569817552 506023550 /nfs/dbraw/zinc/02/35/50/506023550.db2.gz PDWMNRHJXAAETB-UHFFFAOYSA-N 2 0 372.557 3.189 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H](N[C@@H](C)c2ccc(OC)c(O)c2)[C@H](C)C1 ZINC000289978544 498379267 /nfs/dbraw/zinc/37/92/67/498379267.db2.gz XSCVIMFWVTXIRP-RYRKJORJSA-N 2 0 350.503 3.188 20 0 FGADRP C[C@H]([NH2+]Cc1ccc2c(c1)NC(=O)CO2)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000293530251 498404338 /nfs/dbraw/zinc/40/43/38/498404338.db2.gz DTZVPERNIXHUGN-QFBILLFUSA-N 2 0 365.477 3.018 20 0 FGADRP O[C@H](C[NH2+]C1CC[NH+](C2CCCCC2)CC1)COc1ccccc1Cl ZINC000578859693 506039339 /nfs/dbraw/zinc/03/93/39/506039339.db2.gz HUQRUVJIAIMOBI-GOSISDBHSA-N 2 0 366.933 3.466 20 0 FGADRP C(CCC[N@@H+]1CC[C@@H]([C@@H]2CCOC2)C1)CC[NH+]1CC[C@H]([C@@H]2CCOC2)C1 ZINC000361748314 498425531 /nfs/dbraw/zinc/42/55/31/498425531.db2.gz BIIPOELOALPYDF-CIAFKFPVSA-N 2 0 364.574 3.264 20 0 FGADRP C[C@H]1CN(C(=O)c2ccc(C[NH+]3CCCC3)cc2)CC[N@@H+](C2CCC2)C1 ZINC000293645820 498440867 /nfs/dbraw/zinc/44/08/67/498440867.db2.gz HUFXQJYLFRUUAT-GOSISDBHSA-N 2 0 355.526 3.229 20 0 FGADRP COc1ccc(CCNC(=[NH2+])NC[C@@H]2CC[N@H+](C)[C@H]2c2cccs2)cc1 ZINC000361946426 498442789 /nfs/dbraw/zinc/44/27/89/498442789.db2.gz XEFNHQIVWWFQLQ-QFBILLFUSA-N 2 0 372.538 3.106 20 0 FGADRP CC(=O)NC1CCC([NH2+][C@H]2CCN(Cc3ccccc3)CC2(C)C)CC1 ZINC000282409906 498500358 /nfs/dbraw/zinc/50/03/58/498500358.db2.gz KYVCLFWWTVZWSD-CBNMVNINSA-N 2 0 357.542 3.324 20 0 FGADRP CCC[N@H+](C)[C@H](CNC(=O)N[C@@H](C)C[C@H](C)[NH3+])c1ccc(Cl)cc1 ZINC000578888230 506045824 /nfs/dbraw/zinc/04/58/24/506045824.db2.gz XEYDOLLIFXYKBV-GRDNDAEWSA-N 2 0 354.926 3.148 20 0 FGADRP Cc1oc(-c2cccs2)nc1CN(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000362486171 498522555 /nfs/dbraw/zinc/52/25/55/498522555.db2.gz KMTUAZUAXRLGCH-KRWDZBQOSA-N 2 0 374.554 3.312 20 0 FGADRP C[C@@H]([NH2+]C[C@H](C)CN1CC[NH+](C)CC1)c1ccc(Oc2ccccc2)cn1 ZINC000297741224 498554536 /nfs/dbraw/zinc/55/45/36/498554536.db2.gz NXSUETTWJGFRDY-RBUKOAKNSA-N 2 0 368.525 3.408 20 0 FGADRP C[C@@H]([NH2+]C[C@H](C)N1CC[NH+](C)CC1)c1ccc(Oc2ccccc2)cn1 ZINC000297842341 498585007 /nfs/dbraw/zinc/58/50/07/498585007.db2.gz SMNDMCAFIUXJTQ-ZWKOTPCHSA-N 2 0 354.498 3.160 20 0 FGADRP C[C@H](Cc1ccc(O)cc1)[NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000294116322 498593613 /nfs/dbraw/zinc/59/36/13/498593613.db2.gz GFUQGSKBRXNFNL-QGZVFWFLSA-N 2 0 354.494 3.070 20 0 FGADRP Cc1nn(-c2ccccn2)c(C)c1C[NH2+]Cc1ccc(F)c(C[NH+](C)C)c1 ZINC000282645096 498594177 /nfs/dbraw/zinc/59/41/77/498594177.db2.gz LLPUAUKBFOVEFE-UHFFFAOYSA-N 2 0 367.472 3.375 20 0 FGADRP C[C@@H]1C[C@H](NC(=O)N2CCC(C[NH+](C)C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000363041680 498618995 /nfs/dbraw/zinc/61/89/95/498618995.db2.gz WXZDEXRNSPRJIU-WIYYLYMNSA-N 2 0 372.557 3.023 20 0 FGADRP COCCCn1nccc1C[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000282708504 498621957 /nfs/dbraw/zinc/62/19/57/498621957.db2.gz ATDDGHXTCDKZDO-UHFFFAOYSA-N 2 0 370.541 3.264 20 0 FGADRP C[C@H](C[NH+]1C[C@@H](C)C[C@H](C)C1)NC(=O)NCCCC[NH+]1CCC(C)CC1 ZINC000302984599 498636116 /nfs/dbraw/zinc/63/61/16/498636116.db2.gz KGGCAMHHVLASAU-SLFFLAALSA-N 2 0 366.594 3.164 20 0 FGADRP C[C@H]([NH2+]CCC(=O)Nc1ccc(Br)cc1)C1=CC[N@H+](C)CC1 ZINC000581813436 506067550 /nfs/dbraw/zinc/06/75/50/506067550.db2.gz HQLRALXWOWOOPB-ZDUSSCGKSA-N 2 0 366.303 3.018 20 0 FGADRP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)c2ccccc2C[NH+](C)C)CC1 ZINC000365894342 498688968 /nfs/dbraw/zinc/68/89/68/498688968.db2.gz JKMWLIQVHHXKHO-QGZVFWFLSA-N 2 0 366.509 3.099 20 0 FGADRP C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)C[N@@H+]1CCC[C@H](c2ncc[nH]2)C1 ZINC000365904854 498692730 /nfs/dbraw/zinc/69/27/30/498692730.db2.gz DGQWPCGSYVPNFT-HOCLYGCPSA-N 2 0 360.889 3.462 20 0 FGADRP COC(=O)Nc1ccc(CC[NH2+]C2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000298256404 498711178 /nfs/dbraw/zinc/71/11/78/498711178.db2.gz FDDCTZQYDSZYKR-UHFFFAOYSA-N 2 0 354.454 3.061 20 0 FGADRP O=C(c1ccc(C[NH+]2CCCCC2)cc1)N1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1 ZINC000363260488 498733520 /nfs/dbraw/zinc/73/35/20/498733520.db2.gz WSPYAOAXNLXMEQ-FKBYEOEOSA-N 2 0 367.537 3.229 20 0 FGADRP O=C(c1ccccc1)N1CC[C@H](C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)C1 ZINC000283021554 498748026 /nfs/dbraw/zinc/74/80/26/498748026.db2.gz GWSKLPZZXGRRSH-TZIWHRDSSA-N 2 0 355.526 3.099 20 0 FGADRP C[C@H]([NH2+]CC1CCN(c2cc[nH+]cc2)CC1)c1cccc(-n2ccnn2)c1 ZINC000287583151 498804072 /nfs/dbraw/zinc/80/40/72/498804072.db2.gz HNOSOCKQHDDKJY-KRWDZBQOSA-N 2 0 362.481 3.230 20 0 FGADRP O=C(c1ccccc1)N1CC[C@H](C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)C1 ZINC000283167743 498804568 /nfs/dbraw/zinc/80/45/68/498804568.db2.gz PIDKRZBWGPDQRU-KAGYGMCKSA-N 2 0 367.537 3.097 20 0 FGADRP Cc1cccc(C(C)C)c1NC(=O)CN1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000363413898 498807762 /nfs/dbraw/zinc/80/77/62/498807762.db2.gz IJPSMMHGPHMGIJ-YZGWKJHDSA-N 2 0 355.526 3.473 20 0 FGADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CCC[C@@H]2CC(=O)c2cccs2)CC1 ZINC000283255341 498831606 /nfs/dbraw/zinc/83/16/06/498831606.db2.gz KFIBGKDBBSPRGU-GOSISDBHSA-N 2 0 363.571 3.201 20 0 FGADRP Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)[C@@H]([NH3+])Cc1ccccc1 ZINC000579129175 506100585 /nfs/dbraw/zinc/10/05/85/506100585.db2.gz QXNDLDGPKDUOHD-IBGZPJMESA-N 2 0 369.534 3.052 20 0 FGADRP O=C(N[C@H]1CC[N@@H+](C2CCCC2)C1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000363498508 498849321 /nfs/dbraw/zinc/84/93/21/498849321.db2.gz ZCMABQJZQCJUPW-FQEVSTJZSA-N 2 0 355.526 3.032 20 0 FGADRP CC(C)(C)OC(=O)NC[C@H]1CCC[C@@H]1[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000366279095 498856140 /nfs/dbraw/zinc/85/61/40/498856140.db2.gz GHVQIXKYOLAFBD-CPFNUKBASA-N 2 0 351.535 3.286 20 0 FGADRP Cc1ccc([C@H](C)[NH2+]Cc2c(C)nn(C)c2N2CCC[N@H+](C)CC2)s1 ZINC000366293227 498861398 /nfs/dbraw/zinc/86/13/98/498861398.db2.gz FHBHEJWRPVEDLR-INIZCTEOSA-N 2 0 361.559 3.091 20 0 FGADRP CC(C)[C@@H]1OCCC[C@H]1Nc1cc(N2CCC3(CCC[N@@H+]3C)CC2)ncn1 ZINC000333217466 498940670 /nfs/dbraw/zinc/94/06/70/498940670.db2.gz QXNIGIARTYATRN-XLIONFOSSA-N 2 0 373.545 3.157 20 0 FGADRP CN(CCC(=O)N(CC[NH+]1CCCCCC1)C1CCC1)c1cc[nH+]cc1 ZINC000570227268 506119645 /nfs/dbraw/zinc/11/96/45/506119645.db2.gz HVSXXACQWBQSKN-UHFFFAOYSA-N 2 0 358.530 3.165 20 0 FGADRP Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@@H]2[NH2+]C[C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000579221259 506122939 /nfs/dbraw/zinc/12/29/39/506122939.db2.gz UDHMGEJQCWICHF-LCLWPZTBSA-N 2 0 364.555 3.187 20 0 FGADRP O=C(NC[C@H]1CCC[N@H+](Cc2cccs2)C1)c1ccc2c[nH+]cn2c1 ZINC000283859747 499000745 /nfs/dbraw/zinc/00/07/45/499000745.db2.gz IJCDRTHTHGVJPN-OAHLLOKOSA-N 2 0 354.479 3.038 20 0 FGADRP COc1nccc(C[NH2+]C[C@H]2CCN(C)[C@@H]2c2ccc(Cl)c(F)c2)n1 ZINC000295520539 499041198 /nfs/dbraw/zinc/04/11/98/499041198.db2.gz VQKBRNDGGMSOCW-CXAGYDPISA-N 2 0 364.852 3.060 20 0 FGADRP COc1cc2c(cc1F)[nH+]ccc2N1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000333751815 499070262 /nfs/dbraw/zinc/07/02/62/499070262.db2.gz ZDPFODDMIBFJDA-UZLBHIALSA-N 2 0 359.445 3.105 20 0 FGADRP Nc1nc(CN2CCCC[C@H]2[C@@H]2CC[NH2+]C2)nc2sc3c(c21)CCCC3 ZINC000333850808 499087525 /nfs/dbraw/zinc/08/75/25/499087525.db2.gz NLJFKOCXFHXURQ-HIFRSBDPSA-N 2 0 371.554 3.116 20 0 FGADRP CC(=O)N1CC[C@H]([NH2+]Cc2ccc(F)c(C[NH+](C)C)c2)c2ccccc2C1 ZINC000370364374 499213537 /nfs/dbraw/zinc/21/35/37/499213537.db2.gz FRSUVHODWTVYHX-QFIPXVFZSA-N 2 0 369.484 3.470 20 0 FGADRP C[C@@H]([NH2+][C@H]1CCCc2n[nH]cc21)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000367585001 499214954 /nfs/dbraw/zinc/21/49/54/499214954.db2.gz CELWNDTWXLMQST-KDOFPFPSSA-N 2 0 357.477 3.029 20 0 FGADRP COc1ccc(Cl)cc1NC(=O)CC[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000367621764 499218936 /nfs/dbraw/zinc/21/89/36/499218936.db2.gz TVTKLVMMYUSSCN-UXLLHSPISA-N 2 0 365.905 3.140 20 0 FGADRP [NH3+]Cc1cc(NC(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])cc(C(F)(F)F)c1 ZINC000367648987 499221182 /nfs/dbraw/zinc/22/11/82/499221182.db2.gz OKHVWVOGFMZVGG-ZAQWFSBCSA-N 2 0 355.404 3.256 20 0 FGADRP Cn1c2ccc(CN(Cc3ccco3)C3CC[NH+](C)CC3)cc2sc1=O ZINC000367673741 499223449 /nfs/dbraw/zinc/22/34/49/499223449.db2.gz VFZRGRGDNXHWEB-UHFFFAOYSA-N 2 0 371.506 3.289 20 0 FGADRP COC[C@@H]([NH2+]CC1CC[NH+](Cc2ccc(C)cc2)CC1)C1CCOCC1 ZINC000370477676 499224226 /nfs/dbraw/zinc/22/42/26/499224226.db2.gz UTXHOXVPQWPUBW-JOCHJYFZSA-N 2 0 360.542 3.238 20 0 FGADRP COc1ccc([C@H](C)[NH2+][C@@H]2CCN(C[C@@H]3CCCO3)C[C@H]2C)cc1F ZINC000370574278 499232856 /nfs/dbraw/zinc/23/28/56/499232856.db2.gz SPLLQNKLRFLOAV-WXSAJPJJSA-N 2 0 350.478 3.374 20 0 FGADRP CC[N@@H+]1CC[C@H](NC[C@@H]2CCC[NH+](C)[C@@H]2c2ccc(OC)cc2)[C@@H](C)C1 ZINC000370620192 499236027 /nfs/dbraw/zinc/23/60/27/499236027.db2.gz MHIMCYVKNPKATC-XODARUQUSA-N 2 0 359.558 3.398 20 0 FGADRP COc1ccc(Cl)cc1[C@H](C)[NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000370633979 499237813 /nfs/dbraw/zinc/23/78/13/499237813.db2.gz JNBMCSQVIBOTFM-HOCLYGCPSA-N 2 0 351.922 3.168 20 0 FGADRP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)NCC2(C)CC[NH+](C)CC2)CC1 ZINC000368002754 499253686 /nfs/dbraw/zinc/25/36/86/499253686.db2.gz SZSLELNWMCZYMU-GOSISDBHSA-N 2 0 372.557 3.243 20 0 FGADRP COc1cc(C[NH2+]C[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)cc(OC)c1O ZINC000368030441 499257244 /nfs/dbraw/zinc/25/72/44/499257244.db2.gz NSLIWSJWZTXCDK-QFBILLFUSA-N 2 0 370.493 3.410 20 0 FGADRP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1NCc1coc(-c2ccc(F)cc2)n1 ZINC000368416544 499293593 /nfs/dbraw/zinc/29/35/93/499293593.db2.gz LCVJIPYZYFALIL-UIAACRFSSA-N 2 0 373.472 3.460 20 0 FGADRP C[NH+](C)CCOc1cc(C[NH2+][C@H]2CCC[C@H](c3cccnc3)C2)ccn1 ZINC000368520484 499304063 /nfs/dbraw/zinc/30/40/63/499304063.db2.gz VTTUCBRDMLCZLA-ICSRJNTNSA-N 2 0 354.498 3.233 20 0 FGADRP C[N@@H+]1CC[C@H](C[NH2+]C2CCN(C(=O)c3ccoc3)CC2)[C@H]1c1ccccc1 ZINC000371329802 499310953 /nfs/dbraw/zinc/31/09/53/499310953.db2.gz NVUYIDQUZONUSP-WIYYLYMNSA-N 2 0 367.493 3.167 20 0 FGADRP CC(C)[NH+]1CCC(NC(=O)[C@@H]2CCn3c(cnc3-c3ccccc3)C2)CC1 ZINC000368599885 499312532 /nfs/dbraw/zinc/31/25/32/499312532.db2.gz FFKNAEVIPSEDRD-GOSISDBHSA-N 2 0 366.509 3.102 20 0 FGADRP C[NH+](C)Cc1cccc(C(=O)NC[C@H]2CC[N@H+](C)[C@@H]2c2cccs2)c1 ZINC000371762621 499362855 /nfs/dbraw/zinc/36/28/55/499362855.db2.gz MMGMBTPDIPGFSP-MJGOQNOKSA-N 2 0 357.523 3.233 20 0 FGADRP Cn1ccnc1[C@@H]([NH2+]CC1CC[NH+](CCc2ccccc2)CC1)C1CC1 ZINC000372300862 499418263 /nfs/dbraw/zinc/41/82/63/499418263.db2.gz KJBKUZUOJDNXQO-NRFANRHFSA-N 2 0 352.526 3.416 20 0 FGADRP CC1CC[NH+](Cc2ccc(NC(=O)[C@@H]3CCc4nccn4C3)cc2)CC1 ZINC000372323056 499420775 /nfs/dbraw/zinc/42/07/75/499420775.db2.gz APGSEOAAHCFABA-GOSISDBHSA-N 2 0 352.482 3.316 20 0 FGADRP C[NH+]1CCC2(CCCN2C(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)CC1 ZINC000369759389 499441048 /nfs/dbraw/zinc/44/10/48/499441048.db2.gz GWRQVDNLVNYETD-SFHVURJKSA-N 2 0 374.529 3.076 20 0 FGADRP Cc1cccc(CN(CC[NH+](C)C)C(=O)NC2CC([NH+]3CCCCC3)C2)c1 ZINC000369788361 499443288 /nfs/dbraw/zinc/44/32/88/499443288.db2.gz RZSJPWPPBYIJME-UHFFFAOYSA-N 2 0 372.557 3.085 20 0 FGADRP Cn1ccnc1[C@@H]1CCCN(C(=O)c2oc3ccccc3c2C[NH+](C)C)C1 ZINC000373073483 499450010 /nfs/dbraw/zinc/45/00/10/499450010.db2.gz DQVJQTKONGKQCY-OAHLLOKOSA-N 2 0 366.465 3.248 20 0 FGADRP Cc1cccc(C)c1OCCC[N@@H+]1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000373176488 499455683 /nfs/dbraw/zinc/45/56/83/499455683.db2.gz LQJLLAZFMVCUJI-FQEVSTJZSA-N 2 0 359.558 3.173 20 0 FGADRP CO[C@H](c1ccccc1)[C@H](C)[NH2+]C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1 ZINC000373366186 499465593 /nfs/dbraw/zinc/46/55/93/499465593.db2.gz PYUACQPCKLJSEM-YRLHULLVSA-N 2 0 356.514 3.169 20 0 FGADRP C(CC[NH+]1CC[C@]2(C1)CCCOC2)CC[N@@H+]1CC[C@@]2(C1)CCCOC2 ZINC000375274988 499502070 /nfs/dbraw/zinc/50/20/70/499502070.db2.gz BUKIUBQVARXNJC-OYRHEFFESA-N 2 0 350.547 3.162 20 0 FGADRP C[C@@H](NC(=O)c1cccc(C[NH+](C)C)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000378490304 499523829 /nfs/dbraw/zinc/52/38/29/499523829.db2.gz DKZLRKBMFZJVCE-XMSQKQJNSA-N 2 0 365.521 3.389 20 0 FGADRP CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000382683135 499545766 /nfs/dbraw/zinc/54/57/66/499545766.db2.gz DCWPGLQAMCKKRB-IFMALSPDSA-N 2 0 365.521 3.447 20 0 FGADRP C[C@@]1(CNC(=O)C2CC[NH+](C3CC3)CC2)CCC[N@@H+]1Cc1ccccc1 ZINC000375723823 499549108 /nfs/dbraw/zinc/54/91/08/499549108.db2.gz HTBRFAGSKQPBAB-QFIPXVFZSA-N 2 0 355.526 3.032 20 0 FGADRP C[C@H]([NH2+][C@@H]1CCOC2(CCOCC2)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000389156285 499552370 /nfs/dbraw/zinc/55/23/70/499552370.db2.gz YCCWBMHZSDKDEC-CEWLAPEOSA-N 2 0 358.526 3.215 20 0 FGADRP C[N@H+](CCOc1ccc(Br)cc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000394164044 499561252 /nfs/dbraw/zinc/56/12/52/499561252.db2.gz NWDYYSPFSFIYGN-XYPWUTKMSA-N 2 0 353.304 3.385 20 0 FGADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+][C@H](C(N)=O)c2ccc(F)cc2)CC1 ZINC000375842520 499561354 /nfs/dbraw/zinc/56/13/54/499561354.db2.gz VWXWGYZSQZPVOW-CBNMVNINSA-N 2 0 369.484 3.385 20 0 FGADRP COc1ccc([C@@H](C)[NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000397484655 499564011 /nfs/dbraw/zinc/56/40/11/499564011.db2.gz AJWTZHNJLIKOHA-GOSISDBHSA-N 2 0 354.494 3.373 20 0 FGADRP Oc1cccc(C[NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)c1Cl ZINC000397562890 499564289 /nfs/dbraw/zinc/56/42/89/499564289.db2.gz YVORLFVJRXLVCH-UHFFFAOYSA-N 2 0 360.885 3.162 20 0 FGADRP COc1ccccc1C[C@H](C)[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000397560836 499564427 /nfs/dbraw/zinc/56/44/27/499564427.db2.gz RIEFYUFCMUBACL-IBGZPJMESA-N 2 0 368.521 3.243 20 0 FGADRP CCO[C@@H]1C[C@H]([NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)C12CCCC2 ZINC000397614875 499564615 /nfs/dbraw/zinc/56/46/15/499564615.db2.gz GOIUSWTUTHENID-LEWJYISDSA-N 2 0 372.553 3.341 20 0 FGADRP CCO[C@H]1C[C@@H]([NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)C12CCCC2 ZINC000397614880 499564710 /nfs/dbraw/zinc/56/47/10/499564710.db2.gz GOIUSWTUTHENID-RTWAWAEBSA-N 2 0 372.553 3.341 20 0 FGADRP CC(C)[NH+]1CCN([C@H]2CC[N@H+](Cc3c(Cl)ccc4cccnc43)C2)CC1 ZINC000375893161 499565747 /nfs/dbraw/zinc/56/57/47/499565747.db2.gz XHVPSISNKNSDLI-SFHVURJKSA-N 2 0 372.944 3.489 20 0 FGADRP C[C@H](CC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)[C@@H]1CCC[NH2+]C1 ZINC000398076360 499566439 /nfs/dbraw/zinc/56/64/39/499566439.db2.gz QSXUHKGIOVVICX-KOUHRCEDSA-N 2 0 357.542 3.039 20 0 FGADRP CC(C)(C)[NH+]1CCC([NH2+]C2CCN(C(=O)c3cc(Cl)c[nH]3)CC2)CC1 ZINC000376074362 499580980 /nfs/dbraw/zinc/58/09/80/499580980.db2.gz NGFZUQFVEVQQGY-UHFFFAOYSA-N 2 0 366.937 3.125 20 0 FGADRP CC[NH+](CC)CCOc1ccc(NC(=O)[C@H]([NH3+])c2ccccc2C)cc1 ZINC000576395780 506148346 /nfs/dbraw/zinc/14/83/46/506148346.db2.gz OAGPBQVHCKIBPT-HXUWFJFHSA-N 2 0 355.482 3.354 20 0 FGADRP C(C[NH+]1CCOCC1)C1CC[NH+](C[C@@H]2CCC3(CCCCC3)O2)CC1 ZINC000409449883 499597284 /nfs/dbraw/zinc/59/72/84/499597284.db2.gz UFJJEZMKXGWPAP-FQEVSTJZSA-N 2 0 350.547 3.303 20 0 FGADRP COc1cccc(-c2noc(CN[C@H](C)[C@@H]3CCC[N@@H+](C4CCC4)C3)n2)c1 ZINC000376305817 499599150 /nfs/dbraw/zinc/59/91/50/499599150.db2.gz KHSTVKCNQCXRKY-NVXWUHKLSA-N 2 0 370.497 3.488 20 0 FGADRP C[C@@H]1CCC[N@H+](CCCC[NH2+]C[C@@H](O)COc2cccc3[nH]ccc32)C1 ZINC000582176189 506151771 /nfs/dbraw/zinc/15/17/71/506151771.db2.gz HCINFNRCZSOSOS-QZTJIDSGSA-N 2 0 359.514 3.009 20 0 FGADRP C[C@@H]1COCCN1C1CC[NH+](Cc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000576408263 506151917 /nfs/dbraw/zinc/15/19/17/506151917.db2.gz AZIVFAMEGVGJHF-HXUWFJFHSA-N 2 0 371.569 3.358 20 0 FGADRP CC[C@H]([NH2+][C@@H]1CCN(Cc2ccccn2)C[C@H]1C)C1(C(=O)OC)CCC1 ZINC000376637544 499624987 /nfs/dbraw/zinc/62/49/87/499624987.db2.gz RXJPLZNPNQZJCO-QRQLOZEOSA-N 2 0 359.514 3.004 20 0 FGADRP Cc1ccc(NC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c(OCC[NH+](C)C)c1 ZINC000376801867 499635257 /nfs/dbraw/zinc/63/52/57/499635257.db2.gz NSVSRZWNJCQSFA-JWTNVVGKSA-N 2 0 374.529 3.024 20 0 FGADRP Cc1nc(CNC(=O)N[C@H](C)[C@@H](c2ccccc2)[NH+](C)C)c2n1CCCC2 ZINC000376886131 499643610 /nfs/dbraw/zinc/64/36/10/499643610.db2.gz GIILVCSITBHYIX-QRWLVFNGSA-N 2 0 369.513 3.018 20 0 FGADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)NCC[NH+]2CCCCC2)cc1 ZINC000410345270 499656283 /nfs/dbraw/zinc/65/62/83/499656283.db2.gz PNTPAZBOLOAZDO-IBGZPJMESA-N 2 0 372.557 3.346 20 0 FGADRP CC1CC[NH+](C2CCC([NH2+]C[C@@H](O)COCc3ccccc3)CC2)CC1 ZINC000570389606 506156606 /nfs/dbraw/zinc/15/66/06/506156606.db2.gz CWFILFXIMDAFSV-LZBANZJXSA-N 2 0 360.542 3.197 20 0 FGADRP Cc1nccn1-c1ccc([C@@H](C)[N@@H+]2CC[C@@]3(C2)CCCN(C)C3=O)cc1 ZINC000377680463 499719015 /nfs/dbraw/zinc/71/90/15/499719015.db2.gz QCXGNGXFBYIGCV-IIBYNOLFSA-N 2 0 352.482 3.186 20 0 FGADRP CCCNC(=O)CCC[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000411306026 499724214 /nfs/dbraw/zinc/72/42/14/499724214.db2.gz KRPNSAGLYVMYBB-QFIPXVFZSA-N 2 0 357.542 3.281 20 0 FGADRP C[NH+](C)Cc1c2ccccc2oc1C(=O)N1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000377805789 499737121 /nfs/dbraw/zinc/73/71/21/499737121.db2.gz XWIQPELNMHJUOG-WDYCEAGBSA-N 2 0 367.493 3.051 20 0 FGADRP CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)Nc1ccc(N2CCC(C[NH+](C)C)CC2)cc1 ZINC000377817207 499738331 /nfs/dbraw/zinc/73/83/31/499738331.db2.gz QGPFYNLKSRGXBY-RTWAWAEBSA-N 2 0 372.557 3.037 20 0 FGADRP CC(C)[NH+]1CCC(NC(=O)C[NH2+][C@H](c2ccc(Cl)cc2)C2CC2)CC1 ZINC000411438681 499740360 /nfs/dbraw/zinc/74/03/60/499740360.db2.gz NXCQGRZXPYIJEP-FQEVSTJZSA-N 2 0 363.933 3.370 20 0 FGADRP Cc1ccc2[nH]c3c(c2c1)CCC[C@H]3[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000582204275 506157864 /nfs/dbraw/zinc/15/78/64/506157864.db2.gz OLMOLRHIHHHLKF-OAQYLSRUSA-N 2 0 354.542 3.469 20 0 FGADRP CCCC[C@@H]([NH2+]CC(=O)NC1CC[NH+](CC)CC1)c1ccc(OC)cc1 ZINC000411467323 499744326 /nfs/dbraw/zinc/74/43/26/499744326.db2.gz XHCFHPKWMKNJGV-HXUWFJFHSA-N 2 0 361.530 3.117 20 0 FGADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@H](Cc2ccc(F)cc2)[C@H]2COc3ccccc3O2)C1 ZINC000573266838 506157974 /nfs/dbraw/zinc/15/79/74/506157974.db2.gz QIRVABPCEZVUSS-VQQMMKBISA-N 2 0 370.468 3.436 20 0 FGADRP CC(=O)Nc1ccc(C[N@@H+](C)C2CCN(CCc3ccncc3)CC2)cc1 ZINC000377924722 499748461 /nfs/dbraw/zinc/74/84/61/499748461.db2.gz SLDZVWZYYCKNKE-UHFFFAOYSA-N 2 0 366.509 3.179 20 0 FGADRP CC(C)n1cc([C@@H](C)[NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)cn1 ZINC000414306265 499775994 /nfs/dbraw/zinc/77/59/94/499775994.db2.gz NZQFUVWOGZQCFO-GOSISDBHSA-N 2 0 356.514 3.142 20 0 FGADRP CC(C)n1cc([C@H](C)[NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)cn1 ZINC000414306269 499776081 /nfs/dbraw/zinc/77/60/81/499776081.db2.gz NZQFUVWOGZQCFO-SFHVURJKSA-N 2 0 356.514 3.142 20 0 FGADRP NC(=O)C1CC[NH+](Cc2ccc(C[NH2+][C@@H]3CCC[C@H]3C3CC3)cc2)CC1 ZINC000414324925 499777947 /nfs/dbraw/zinc/77/79/47/499777947.db2.gz LGERWZFMDKAWGB-LEWJYISDSA-N 2 0 355.526 3.052 20 0 FGADRP C[C@H](CCC(F)(F)F)[NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000414345426 499779600 /nfs/dbraw/zinc/77/96/00/499779600.db2.gz SVCKRAOWFBRXRD-CQSZACIVSA-N 2 0 371.447 3.205 20 0 FGADRP Cc1ccc(C[NH2+]CCc2ccc(OCC[N@H+]3C[C@H](C)[C@H](C)C3)cc2)nn1 ZINC000414365699 499781637 /nfs/dbraw/zinc/78/16/37/499781637.db2.gz NATNUKXEUFYWEU-HDICACEKSA-N 2 0 368.525 3.084 20 0 FGADRP CCC1(C[NH2+]Cc2cnc(N(C)C)n2C)CC[NH+](Cc2ccccc2)CC1 ZINC000414368323 499781957 /nfs/dbraw/zinc/78/19/57/499781957.db2.gz RTCIWHRVAACIGB-UHFFFAOYSA-N 2 0 369.557 3.268 20 0 FGADRP CCN1C[C@@H](C)[N@H+](CC[C@H](C)CC[NH+]2[C@@H](C)CN(CC)C[C@@H]2C)[C@@H](C)C1 ZINC000411726758 499783709 /nfs/dbraw/zinc/78/37/09/499783709.db2.gz ZBYUDFPQVAXQHU-CUUWFGFTSA-N 2 0 366.638 3.232 20 0 FGADRP CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]Cc3ccc(C[NH+]4CCCCC4)cc3)[C@@H]2C1 ZINC000411738033 499784864 /nfs/dbraw/zinc/78/48/64/499784864.db2.gz RUWYWBXOOBCIBO-YTFSRNRJSA-N 2 0 369.553 3.409 20 0 FGADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2cn(-c3cccc(F)c3)nc2C)C1 ZINC000414407015 499787793 /nfs/dbraw/zinc/78/77/93/499787793.db2.gz JXULLVCFYCSLMA-NRFANRHFSA-N 2 0 374.504 3.253 20 0 FGADRP OC[C@]1([C@H]([NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)C2CC2)CCCO1 ZINC000411775500 499789350 /nfs/dbraw/zinc/78/93/50/499789350.db2.gz XXUOURLXODRYAV-YADHBBJMSA-N 2 0 358.526 3.082 20 0 FGADRP O[C@@H]1C[C@@H]([C@H]2CCCOC2)[N@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000411779476 499789832 /nfs/dbraw/zinc/78/98/32/499789832.db2.gz CVSNTKMZHRGPHT-BDTNDASRSA-N 2 0 358.526 3.034 20 0 FGADRP OC1(C[NH2+]CCc2cccc(Cl)c2)CC[NH+](Cc2ccccc2)CC1 ZINC000414531391 499803741 /nfs/dbraw/zinc/80/37/41/499803741.db2.gz ZEKIBHNNKQYFJR-UHFFFAOYSA-N 2 0 358.913 3.499 20 0 FGADRP CC(C)Cc1ncc(C[NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)s1 ZINC000414547126 499806415 /nfs/dbraw/zinc/80/64/15/499806415.db2.gz HEHFCINSSONBGB-UHFFFAOYSA-N 2 0 373.566 3.458 20 0 FGADRP OC1(C[NH2+]CC2=Cc3ccccc3OC2)CC[NH+](Cc2ccccc2)CC1 ZINC000414550218 499807289 /nfs/dbraw/zinc/80/72/89/499807289.db2.gz MYAIMDXMPFVBTM-UHFFFAOYSA-N 2 0 364.489 3.079 20 0 FGADRP C[C@@H](C[NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1)c1ccccc1 ZINC000414558566 499808898 /nfs/dbraw/zinc/80/88/98/499808898.db2.gz SLYASXMURWYHRE-SFHVURJKSA-N 2 0 365.521 3.277 20 0 FGADRP [NH3+]C[C@H]1CC[N@H+](Cc2ccc(OC(F)(F)[C@@H](F)C(F)(F)F)cc2)C1 ZINC000414662130 499818011 /nfs/dbraw/zinc/81/80/11/499818011.db2.gz YQJTVXDWAUVIPA-YPMHNXCESA-N 2 0 356.310 3.339 20 0 FGADRP C[C@@H]1C[C@H](C[NH+]2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)CC[NH2+]1 ZINC000414735150 499824687 /nfs/dbraw/zinc/82/46/87/499824687.db2.gz LXMJPAWZTDZKHF-ZIAGYGMSSA-N 2 0 370.324 3.139 20 0 FGADRP CC[NH+](CC)C[C@H]1CCN(C(=O)c2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000412144129 499827698 /nfs/dbraw/zinc/82/76/98/499827698.db2.gz AWUHKXBSFBRNLT-HXUWFJFHSA-N 2 0 357.542 3.476 20 0 FGADRP C[C@H]1C[C@H](C[NH+]2CCN(C(=O)c3cc4ccccc4s3)CC2)CC[NH2+]1 ZINC000414769674 499828842 /nfs/dbraw/zinc/82/88/42/499828842.db2.gz WZJATWPMZHGHLW-JKSUJKDBSA-N 2 0 357.523 3.047 20 0 FGADRP Cc1nc(COc2ccc(C[N@H+]3CC[C@H]4C[NH2+]C[C@H]4CC3)cc2)cs1 ZINC000414772345 499829387 /nfs/dbraw/zinc/82/93/87/499829387.db2.gz UCRQJXFHKKGPFA-HDICACEKSA-N 2 0 357.523 3.462 20 0 FGADRP COc1cc(C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c(SC)cc1OC ZINC000414777866 499829853 /nfs/dbraw/zinc/82/98/53/499829853.db2.gz INXVTPIHTLAQMO-GJZGRUSLSA-N 2 0 350.528 3.247 20 0 FGADRP O[C@H]1C[NH2+]C[C@H]1C[NH2+]Cc1ccc(-c2ccc(C(F)(F)F)cc2)s1 ZINC000414779938 499830257 /nfs/dbraw/zinc/83/02/57/499830257.db2.gz GBQSOKZYHANDOL-DOMZBBRYSA-N 2 0 356.413 3.104 20 0 FGADRP CCCCOc1ccc(C[N@@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)cc1OC ZINC000414784557 499830745 /nfs/dbraw/zinc/83/07/45/499830745.db2.gz ILWYTSJHNRAAFJ-GOSISDBHSA-N 2 0 362.514 3.061 20 0 FGADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000414796794 499832163 /nfs/dbraw/zinc/83/21/63/499832163.db2.gz IAODXLKZSOQMRH-HOCLYGCPSA-N 2 0 352.404 3.498 20 0 FGADRP COc1cc(C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])cc(Br)c1OC ZINC000414808187 499833210 /nfs/dbraw/zinc/83/32/10/499833210.db2.gz RXTVTPRKNJBJKR-TZMCWYRMSA-N 2 0 357.292 3.073 20 0 FGADRP C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000414812151 499833764 /nfs/dbraw/zinc/83/37/64/499833764.db2.gz WXUDFNZWSBOVSX-IOASZLSFSA-N 2 0 368.319 3.273 20 0 FGADRP Clc1ccc(-n2cc(C[NH2+]CC[C@@H]3CCC[NH2+]C3)nn2)c(Cl)c1 ZINC000414829435 499835031 /nfs/dbraw/zinc/83/50/31/499835031.db2.gz AUPFEDZTPQJQNM-LBPRGKRZSA-N 2 0 354.285 3.053 20 0 FGADRP Clc1ccc(OCc2nc(C[NH2+]CC[C@H]3CC[NH2+]C3)cs2)cc1 ZINC000414830014 499835418 /nfs/dbraw/zinc/83/54/18/499835418.db2.gz LNLNZFKAXBOLPI-CYBMUJFWSA-N 2 0 351.903 3.465 20 0 FGADRP C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000414834828 499835946 /nfs/dbraw/zinc/83/59/46/499835946.db2.gz HXVMXKBVRMMQHB-KBPBESRZSA-N 2 0 357.420 3.402 20 0 FGADRP COc1ccc(C[NH2+]CC[C@@H]2CCC[NH2+]C2)cc1OCc1cccnc1 ZINC000414849714 499837712 /nfs/dbraw/zinc/83/77/12/499837712.db2.gz YIGBPIVEVYTPGK-KRWDZBQOSA-N 2 0 355.482 3.149 20 0 FGADRP C[NH+](C)CCOc1cccc(NC(=O)N[C@@H](CCC[NH3+])c2ccccc2)c1 ZINC000414883025 499841204 /nfs/dbraw/zinc/84/12/04/499841204.db2.gz MOCZOSMJEYJWON-FQEVSTJZSA-N 2 0 370.497 3.229 20 0 FGADRP c1ccc(C[N@H+]2C[C@@H]3CC[C@@H](NCCC[NH2+]Cc4cccnc4)[C@@H]3C2)cc1 ZINC000414886222 499841659 /nfs/dbraw/zinc/84/16/59/499841659.db2.gz VPXHKGHEUUGAGM-YTFSRNRJSA-N 2 0 364.537 3.062 20 0 FGADRP C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]C[C@]1(C)CCC[NH2+]C1 ZINC000414899231 499842942 /nfs/dbraw/zinc/84/29/42/499842942.db2.gz CITWHVWEAQRITF-CXAGYDPISA-N 2 0 357.420 3.402 20 0 FGADRP COc1cc(CN[C@@H]2C[NH2+]CC[C@@H]2C)cc(OC)c1OCc1ccccc1 ZINC000414932612 499845805 /nfs/dbraw/zinc/84/58/05/499845805.db2.gz RIBBDQBCEBJUAE-QFBILLFUSA-N 2 0 370.493 3.370 20 0 FGADRP O=C(Nc1ccc(CC[NH+]2CCCCC2)cc1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000414975520 499850816 /nfs/dbraw/zinc/85/08/16/499850816.db2.gz LYKWOKWPXLSRGA-HXUWFJFHSA-N 2 0 356.514 3.073 20 0 FGADRP Cc1nn(-c2ccc(Br)cc2)c(C)c1C[NH2+][C@@H](C)CCC[NH3+] ZINC000415016215 499855385 /nfs/dbraw/zinc/85/53/85/499855385.db2.gz BXBIKUAMZUPUHG-LBPRGKRZSA-N 2 0 365.319 3.469 20 0 FGADRP C[C@@H](CCC[NH3+])[NH2+]Cc1ccc(Br)c(Br)c1 ZINC000415024319 499855927 /nfs/dbraw/zinc/85/59/27/499855927.db2.gz OSOPQZFIINDVQP-VIFPVBQESA-N 2 0 350.098 3.429 20 0 FGADRP CCOc1c(Br)cc(C[NH2+][C@@H]2CC[C@H](C[NH3+])C2)cc1OC ZINC000415028389 499856120 /nfs/dbraw/zinc/85/61/20/499856120.db2.gz COOUFJCIKNZIDD-WCQYABFASA-N 2 0 357.292 3.073 20 0 FGADRP Fc1ccccc1-c1ccc(C[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)o1 ZINC000415062101 499859905 /nfs/dbraw/zinc/85/99/05/499859905.db2.gz ZPTUIRUQSAWPEW-UHFFFAOYSA-N 2 0 357.473 3.392 20 0 FGADRP CCN1CC[C@H]([NH2+][C@H](C)C[C@H]2CCC[NH2+]2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000415097281 499863065 /nfs/dbraw/zinc/86/30/65/499863065.db2.gz CNFFQAJCNRYMNN-FXMYGGSYSA-N 2 0 355.448 3.359 20 0 FGADRP CCN1CC[C@@H]([NH2+]C2CCC(C[NH3+])CC2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000415106704 499864471 /nfs/dbraw/zinc/86/44/71/499864471.db2.gz NEJOHRULHMMAAV-WONKFOFSSA-N 2 0 355.448 3.346 20 0 FGADRP FC(F)(F)c1cccc(CN2CCC([NH2+]CC3CC[NH2+]CC3)CC2)c1 ZINC000415111547 499865255 /nfs/dbraw/zinc/86/52/55/499865255.db2.gz RCTFJNWAOXTCTM-UHFFFAOYSA-N 2 0 355.448 3.259 20 0 FGADRP Cc1cc(C[NH+]2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)ccc1Br ZINC000415122698 499866550 /nfs/dbraw/zinc/86/65/50/499866550.db2.gz KJJZABJPCZGGSC-FUHWJXTLSA-N 2 0 367.331 3.476 20 0 FGADRP COc1ccc(C[C@H](C)C[NH+]2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)cc1F ZINC000415123955 499866985 /nfs/dbraw/zinc/86/69/85/499866985.db2.gz LUIURVLSLYIYAK-XERREHJYSA-N 2 0 364.505 3.231 20 0 FGADRP COc1ccc(C(=O)Nc2cccc(C[N@@H+]3CC[C@H](C)[C@H](C[NH3+])C3)c2)cc1 ZINC000415134172 499868833 /nfs/dbraw/zinc/86/88/33/499868833.db2.gz VRSASPOWHTVGED-QFBILLFUSA-N 2 0 367.493 3.364 20 0 FGADRP CC[NH+](CC)CCOc1ccc(NC(=O)N2CCCC[C@H]2[C@H](C)[NH3+])cc1 ZINC000415172997 499873072 /nfs/dbraw/zinc/87/30/72/499873072.db2.gz AXEWXYYCZSGUDH-LPHOPBHVSA-N 2 0 362.518 3.141 20 0 FGADRP C[NH2+][C@H]1CCCN(C(=O)Nc2cccc(CC[NH+]3CCC(C)CC3)c2)C1 ZINC000415393165 499891186 /nfs/dbraw/zinc/89/11/86/499891186.db2.gz OPOOUCKSKXMUCL-FQEVSTJZSA-N 2 0 358.530 3.177 20 0 FGADRP Cc1cccc(C(C)C)c1NC(=O)[C@H](C)[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000576465876 506164847 /nfs/dbraw/zinc/16/48/47/506164847.db2.gz MSIOIJJGVHCLMK-SCWSEQNSSA-N 2 0 373.541 3.274 20 0 FGADRP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)Nc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000415880212 499923622 /nfs/dbraw/zinc/92/36/22/499923622.db2.gz FBRPUPGUNZHJOF-IAGOWNOFSA-N 2 0 358.530 3.212 20 0 FGADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000415885695 499924308 /nfs/dbraw/zinc/92/43/08/499924308.db2.gz SLXUTBYGMJMVSO-UHFFFAOYSA-N 2 0 366.509 3.494 20 0 FGADRP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)Nc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000415886441 499924476 /nfs/dbraw/zinc/92/44/76/499924476.db2.gz UXWLBMUGRYFCOJ-ROUUACIJSA-N 2 0 370.541 3.451 20 0 FGADRP C[NH+](C)C[C@H](NC(=O)Nc1ccc2c(c1)C[NH2+]CC2)c1ccc(Cl)cc1 ZINC000415888827 499924765 /nfs/dbraw/zinc/92/47/65/499924765.db2.gz ASWFWWBAEBPUTJ-IBGZPJMESA-N 2 0 372.900 3.410 20 0 FGADRP C[NH2+]Cc1cccc(NC(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)c1 ZINC000415923604 499929185 /nfs/dbraw/zinc/92/91/85/499929185.db2.gz WUOPSDRQCXMSID-FQEVSTJZSA-N 2 0 352.482 3.192 20 0 FGADRP C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)Nc2ccc(OCC[NH3+])cc2)C1 ZINC000415930520 499929660 /nfs/dbraw/zinc/92/96/60/499929660.db2.gz ABVHZNXHHFOCDZ-ZWKOTPCHSA-N 2 0 374.529 3.142 20 0 FGADRP C[NH2+]Cc1cccc(NC(=O)NCc2ccccc2C[NH+]2CCCC2)c1 ZINC000415934591 499930294 /nfs/dbraw/zinc/93/02/94/499930294.db2.gz RKNSEDMFLKGUNY-UHFFFAOYSA-N 2 0 352.482 3.324 20 0 FGADRP CC[NH2+]Cc1ccccc1NC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000415933288 499930298 /nfs/dbraw/zinc/93/02/98/499930298.db2.gz PKLKUXPNACMQEE-UXHICEINSA-N 2 0 352.482 3.363 20 0 FGADRP CC[NH2+]Cc1cccc(NC(=O)N2CC([N@H+](C)Cc3ccccc3)C2)c1 ZINC000415937533 499930623 /nfs/dbraw/zinc/93/06/23/499930623.db2.gz WYTVVCUBNGINQX-UHFFFAOYSA-N 2 0 352.482 3.144 20 0 FGADRP CC[NH2+]Cc1ccccc1NC(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000415936893 499930630 /nfs/dbraw/zinc/93/06/30/499930630.db2.gz XHLIDDVYFURTTH-LJQANCHMSA-N 2 0 366.509 3.440 20 0 FGADRP C[NH2+]Cc1cccc(NC(=O)NCC[C@H](C)[N@H+](C)Cc2ccccc2)c1 ZINC000415946135 499931888 /nfs/dbraw/zinc/93/18/88/499931888.db2.gz SSQNOPIOOZKDAT-KRWDZBQOSA-N 2 0 354.498 3.438 20 0 FGADRP CC[NH+](CC)Cc1ccccc1CNC(=O)Nc1ccc(OCC[NH3+])cc1 ZINC000415951144 499932578 /nfs/dbraw/zinc/93/25/78/499932578.db2.gz BZPBRHZJJMOEOU-UHFFFAOYSA-N 2 0 370.497 3.188 20 0 FGADRP [NH3+]Cc1ccc(NC(=O)NCC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000415968010 499934955 /nfs/dbraw/zinc/93/49/55/499934955.db2.gz BYRXWGGYSMFWNM-UHFFFAOYSA-N 2 0 352.482 3.179 20 0 FGADRP C[NH2+]Cc1cccc(NC(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000415968691 499935340 /nfs/dbraw/zinc/93/53/40/499935340.db2.gz XYUDGRVFTNEWFK-IBGZPJMESA-N 2 0 352.482 3.050 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)Nc2ccc3c(c2)C[NH2+]CCO3)C1 ZINC000415971446 499935577 /nfs/dbraw/zinc/93/55/77/499935577.db2.gz JTQFEPUSQVFYAB-CALCHBBNSA-N 2 0 374.529 3.048 20 0 FGADRP C[NH2+]Cc1ccc(NC(=O)N[C@@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)cc1 ZINC000415974189 499935826 /nfs/dbraw/zinc/93/58/26/499935826.db2.gz QERVMCLSMOGZHF-OXQOHEQNSA-N 2 0 352.482 3.363 20 0 FGADRP C[NH2+]Cc1ccc(NC(=O)N[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)cc1 ZINC000415973116 499936017 /nfs/dbraw/zinc/93/60/17/499936017.db2.gz NTGVLCNOJDDPFC-OXQOHEQNSA-N 2 0 352.482 3.191 20 0 FGADRP CCC[N@@H+]1CCC[C@H]1CNC(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000415973570 499936043 /nfs/dbraw/zinc/93/60/43/499936043.db2.gz QULVYNFBWCJHQS-HNNXBMFYSA-N 2 0 358.408 3.160 20 0 FGADRP C[NH2+]Cc1ccc(NC(=O)N(CCCc2ccccc2)CC[NH+](C)C)cc1 ZINC000415976600 499936257 /nfs/dbraw/zinc/93/62/57/499936257.db2.gz WDKLQDOGJMZZNJ-UHFFFAOYSA-N 2 0 368.525 3.434 20 0 FGADRP CC[C@H](CNC(=O)Nc1ccc(C[NH2+]C)cc1)[N@@H+]1CCc2ccccc2C1 ZINC000415982139 499937142 /nfs/dbraw/zinc/93/71/42/499937142.db2.gz DHMPRMWXNJYSDS-OAQYLSRUSA-N 2 0 366.509 3.364 20 0 FGADRP C[NH2+]Cc1ccc(NC(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)cc1 ZINC000415991049 499938211 /nfs/dbraw/zinc/93/82/11/499938211.db2.gz OLNZFJDNTPXABY-FQEVSTJZSA-N 2 0 352.482 3.365 20 0 FGADRP Cc1cc(NC(=O)C[C@H](c2ccccc2)[NH+](C)C)n(C2CC[NH+](C)CC2)n1 ZINC000416171714 499967614 /nfs/dbraw/zinc/96/76/14/499967614.db2.gz RRSCLLIZDZZAFM-LJQANCHMSA-N 2 0 369.513 3.090 20 0 FGADRP COc1cc(Br)ccc1CCC[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000429025427 499987087 /nfs/dbraw/zinc/98/70/87/499987087.db2.gz YPUKBSFBNGLAHM-SFHVURJKSA-N 2 0 367.331 3.418 20 0 FGADRP C[C@@H](CNC(=O)N[C@H](C[NH3+])c1ccc2ccccc2c1)C[NH+]1CCCCC1 ZINC000417202171 500003714 /nfs/dbraw/zinc/00/37/14/500003714.db2.gz ZGFLVNHSQOTQAI-LAUBAEHRSA-N 2 0 368.525 3.261 20 0 FGADRP C[C@@H]1CCC[C@@](CNC(=O)N[C@@H](CCC[NH3+])c2ccccc2)([NH+](C)C)C1 ZINC000417209676 500005801 /nfs/dbraw/zinc/00/58/01/500005801.db2.gz CUAALOLAEHSIFM-SLYNCCJLSA-N 2 0 360.546 3.276 20 0 FGADRP CC1CC[NH+]([C@H](CNC(=O)N2CC[C@@H](C)[C@@H](C[NH3+])C2)c2ccccc2)CC1 ZINC000417211716 500006348 /nfs/dbraw/zinc/00/63/48/500006348.db2.gz GTDQKAMLJBYHNW-HLAWJBBLSA-N 2 0 372.557 3.086 20 0 FGADRP C[NH+](C)C1CCC([NH2+]Cc2cc3c(cc2Br)OCO3)CC1 ZINC000421368548 500028232 /nfs/dbraw/zinc/02/82/32/500028232.db2.gz GJZWBMJIBNDRQX-UHFFFAOYSA-N 2 0 355.276 3.140 20 0 FGADRP CCc1cc(OC)ccc1C[N@H+]1CCCN(C2CC[NH+](CC)CC2)CC1 ZINC000421380484 500032773 /nfs/dbraw/zinc/03/27/73/500032773.db2.gz VWCFBAVJNPLZQO-UHFFFAOYSA-N 2 0 359.558 3.250 20 0 FGADRP FC(F)CN1CC[C@H]([NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000417385296 500056340 /nfs/dbraw/zinc/05/63/40/500056340.db2.gz LYROTRDAGPGRGY-FUMNGEBKSA-N 2 0 363.496 3.216 20 0 FGADRP C[C@@H](CCCC[NH3+])NC(=O)NCc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000417472740 500083607 /nfs/dbraw/zinc/08/36/07/500083607.db2.gz XYFKANWDIQNWPW-SFHVURJKSA-N 2 0 360.546 3.235 20 0 FGADRP C[NH+](C)CCOc1ccc(NC(=O)C2(C[NH+](C)C)CCCCC2)c(F)c1 ZINC000413904918 500091714 /nfs/dbraw/zinc/09/17/14/500091714.db2.gz VLCBXQDUHLYJET-UHFFFAOYSA-N 2 0 365.493 3.217 20 0 FGADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000417586152 500117887 /nfs/dbraw/zinc/11/78/87/500117887.db2.gz QGHWMBXGKZCEHW-OTYNDTSQSA-N 2 0 372.557 3.197 20 0 FGADRP C[C@H](CNC(=O)NCc1ccc([C@H](C)[NH3+])cc1)[N@H+](C)Cc1ccccc1 ZINC000417587097 500118866 /nfs/dbraw/zinc/11/88/66/500118866.db2.gz NMXBFGLSMTYBPZ-SJORKVTESA-N 2 0 354.498 3.026 20 0 FGADRP C[C@@H]1C[N@@H+](CCC2CC[NH+](CCN(C)Cc3ccccc3)CC2)C[C@H](C)O1 ZINC000429686532 500124541 /nfs/dbraw/zinc/12/45/41/500124541.db2.gz ZPPZNSFGOQLHSZ-OYRHEFFESA-N 2 0 373.585 3.330 20 0 FGADRP CN(CC[C@@H]1CCCC[N@@H+]1C)C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000429698906 500125839 /nfs/dbraw/zinc/12/58/39/500125839.db2.gz OJMROYATHLNMKE-FCHUYYIVSA-N 2 0 359.558 3.084 20 0 FGADRP CCc1ccc([C@@H](CNC(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)[NH+](C)C)cc1 ZINC000416833151 500133008 /nfs/dbraw/zinc/13/30/08/500133008.db2.gz CHAPZMJYVDNDPZ-LEWJYISDSA-N 2 0 372.557 3.025 20 0 FGADRP C[NH+](C)C1(CNC(=O)N[C@H](CCC[NH3+])c2ccccc2)CCCCCC1 ZINC000416847938 500136863 /nfs/dbraw/zinc/13/68/63/500136863.db2.gz KQADQBCFPSCQIT-LJQANCHMSA-N 2 0 360.546 3.420 20 0 FGADRP CCCC[C@@H](C[NH3+])NC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000416882237 500147478 /nfs/dbraw/zinc/14/74/78/500147478.db2.gz HWCCJWXGPOVZJL-SFHVURJKSA-N 2 0 366.937 3.121 20 0 FGADRP CCCN(C(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1)C1CC[NH2+]CC1 ZINC000417688388 500149451 /nfs/dbraw/zinc/14/94/51/500149451.db2.gz JAAICFXXXUMPAV-GOSISDBHSA-N 2 0 372.557 3.386 20 0 FGADRP C[C@H]([NH2+]C1(CNC(=O)N2CCC[C@H](CC[NH3+])C2)CCCC1)c1ccccc1 ZINC000417706449 500153250 /nfs/dbraw/zinc/15/32/50/500153250.db2.gz OVOWESQVQNGFIH-RBUKOAKNSA-N 2 0 372.557 3.420 20 0 FGADRP CCC(CC)(CNC(=O)N1CCC(C[NH3+])CC1)[NH2+][C@@H](C)c1ccccc1 ZINC000417707398 500153256 /nfs/dbraw/zinc/15/32/56/500153256.db2.gz QOCDRHBOGXFASY-KRWDZBQOSA-N 2 0 360.546 3.276 20 0 FGADRP [NH3+]CCCN(CC1CCCC1)C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000416907378 500153365 /nfs/dbraw/zinc/15/33/65/500153365.db2.gz UPFLOFXZZWSOTB-UHFFFAOYSA-N 2 0 372.557 3.333 20 0 FGADRP COc1ccc([C@@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CC[C@H](O)C2)c(C)c1 ZINC000414104458 500154366 /nfs/dbraw/zinc/15/43/66/500154366.db2.gz FVXCVJRGMUYHKC-XLIONFOSSA-N 2 0 354.494 3.421 20 0 FGADRP C[C@@H]1C[C@H](NC(=O)NCc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)CC[NH2+]1 ZINC000416974431 500172015 /nfs/dbraw/zinc/17/20/15/500172015.db2.gz LJODBSHUVURITF-FUHIMQAGSA-N 2 0 358.530 3.001 20 0 FGADRP C[C@@H](NC(=O)N[C@@H](C[NH3+])c1ccc2ccccc2c1)C(C)(C)C[NH+](C)C ZINC000417857882 500185248 /nfs/dbraw/zinc/18/52/48/500185248.db2.gz OUZKOOVVEUHGNF-BEFAXECRSA-N 2 0 356.514 3.115 20 0 FGADRP CC(C)C[C@H](CNC(=O)N1CC[C@H]([NH3+])[C@@H](C)C1)[NH2+][C@@H](C)c1ccccc1 ZINC000417868181 500187658 /nfs/dbraw/zinc/18/76/58/500187658.db2.gz GANYJANCOYZIRZ-XEYPJELSSA-N 2 0 360.546 3.131 20 0 FGADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N[C@H](CCC[NH3+])c2ccccc2)C1 ZINC000417918764 500197763 /nfs/dbraw/zinc/19/77/63/500197763.db2.gz YJOHCXKEWGUUJJ-UYAOXDASSA-N 2 0 360.546 3.134 20 0 FGADRP CCC1(CNC(=O)N[C@H](C)CCCC[NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000417927696 500199480 /nfs/dbraw/zinc/19/94/80/500199480.db2.gz QERLNCHANUNJSC-LJQANCHMSA-N 2 0 374.573 3.496 20 0 FGADRP C[C@@H]1C[C@@H](CCNC(=O)N[C@H](C[NH3+])C2CCCC2)C[N@@H+]1Cc1ccccc1 ZINC000417927777 500199660 /nfs/dbraw/zinc/19/96/60/500199660.db2.gz QLFMTSCDDJXAEK-YFVAEKQCSA-N 2 0 372.557 3.104 20 0 FGADRP CC[C@H]([NH3+])CNC(=O)N[C@H]1CCN(C(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000417977418 500207881 /nfs/dbraw/zinc/20/78/81/500207881.db2.gz BUGMPEKMEVRCCD-RRQGHBQHSA-N 2 0 370.900 3.039 20 0 FGADRP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N1CCCC[C@@H]1[C@H]1CCC[NH2+]C1 ZINC000417984128 500209359 /nfs/dbraw/zinc/20/93/59/500209359.db2.gz OMGCILFJCWKMGD-HLAWJBBLSA-N 2 0 372.557 3.071 20 0 FGADRP CC1CC[NH+](Cc2cccc(CNC(=O)[C@H]3CCC[N@@H+]3C3CC3)c2)CC1 ZINC000425925304 500212384 /nfs/dbraw/zinc/21/23/84/500212384.db2.gz QQLFNIXCBJMUAW-OAQYLSRUSA-N 2 0 355.526 3.162 20 0 FGADRP C[C@@]1(CNC(=O)NC[C@@H]([NH3+])c2ccccc2)CCC[N@@H+]1Cc1ccccc1 ZINC000418044850 500220102 /nfs/dbraw/zinc/22/01/02/500220102.db2.gz NLHJKCYDZORMOV-IRLDBZIGSA-N 2 0 366.509 3.040 20 0 FGADRP COc1cccc2c1CC[C@@H]([NH2+]CCc1ccc(OCC[NH+](C)C)cc1)C2 ZINC000426052398 500230232 /nfs/dbraw/zinc/23/02/32/500230232.db2.gz YCACMRWQLQRABU-HXUWFJFHSA-N 2 0 368.521 3.325 20 0 FGADRP CCCN(C(=O)NC[C@@H](C1CC1)[N@H+](C)Cc1ccccc1)C1CC[NH2+]CC1 ZINC000418130226 500234478 /nfs/dbraw/zinc/23/44/78/500234478.db2.gz BVYSCYHPLVWGJT-NRFANRHFSA-N 2 0 372.557 3.071 20 0 FGADRP CCc1ccccc1[C@H]([NH3+])CNC(=O)N[C@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC000418162758 500239880 /nfs/dbraw/zinc/23/98/80/500239880.db2.gz CXIYGEUYOFHXDC-HBGVWJBISA-N 2 0 368.525 3.239 20 0 FGADRP Cc1ccccc1[C@@H]([C@H](C)NC(=O)N(CC[NH3+])Cc1ccccc1)[NH+](C)C ZINC000418175992 500242838 /nfs/dbraw/zinc/24/28/38/500242838.db2.gz GNSKZJUJONQUIM-GHTZIAJQSA-N 2 0 368.525 3.157 20 0 FGADRP C[N@H+](Cc1ccccc1)C1(CNC(=O)NC[C@@H]([NH3+])c2ccccc2)CCC1 ZINC000418246809 500255481 /nfs/dbraw/zinc/25/54/81/500255481.db2.gz QDBIUPAKCNUWNO-HXUWFJFHSA-N 2 0 366.509 3.040 20 0 FGADRP CC[NH2+]CC1CC[NH+]([C@H](C)C(=O)Nc2ccc(Br)cc2)CC1 ZINC000430593870 500259815 /nfs/dbraw/zinc/25/98/15/500259815.db2.gz PQPJSBJSKIHKQD-CYBMUJFWSA-N 2 0 368.319 3.098 20 0 FGADRP CC(C)[NH+](CCNC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H]1C)C(C)C ZINC000582319208 506185639 /nfs/dbraw/zinc/18/56/39/506185639.db2.gz JREHDZFXAJIVEK-ICSRJNTNSA-N 2 0 360.546 3.067 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@@H]([NH3+])c2ccc(C(C)C)cc2)[C@@H](C)C1 ZINC000418325643 500262622 /nfs/dbraw/zinc/26/26/22/500262622.db2.gz JKKXGOQLYHJPQB-DBVUQKKJSA-N 2 0 360.546 3.182 20 0 FGADRP CC(C)c1ccc([C@@H]([NH3+])CNC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC000418345469 500265782 /nfs/dbraw/zinc/26/57/82/500265782.db2.gz HAPBJPOWGLOZPS-XNMUZJSGSA-N 2 0 358.530 3.076 20 0 FGADRP CN(C(=O)N[C@@H](C[NH3+])C1CCCCC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000418384438 500270694 /nfs/dbraw/zinc/27/06/94/500270694.db2.gz OJEPUVSTHBVXGT-NRFANRHFSA-N 2 0 372.557 3.200 20 0 FGADRP C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000418406816 500273063 /nfs/dbraw/zinc/27/30/63/500273063.db2.gz CKDQAWJQUBIWCD-LJQANCHMSA-N 2 0 374.916 3.113 20 0 FGADRP C[NH+]1CCC(Oc2ccc(Cl)cc2NC(=O)NC(C)(C)CC[NH3+])CC1 ZINC000422565024 500275225 /nfs/dbraw/zinc/27/52/25/500275225.db2.gz KROTXXNRYBAQTP-UHFFFAOYSA-N 2 0 368.909 3.062 20 0 FGADRP FC(F)(F)c1cccc(C2(C[NH2+][C@@H]3CCOC[C@@H]3[C@H]3CCC[NH2+]3)CC2)c1 ZINC000422702430 500287317 /nfs/dbraw/zinc/28/73/17/500287317.db2.gz KRNOEQPBOCUPPO-KZNAEPCWSA-N 2 0 368.443 3.484 20 0 FGADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)NCC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC000422704683 500287578 /nfs/dbraw/zinc/28/75/78/500287578.db2.gz QFZSTNJQOSLAFP-AVRDEDQJSA-N 2 0 351.538 3.371 20 0 FGADRP CCN(C(=O)NCC1(C)CC[NH2+]CC1)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000418526427 500287624 /nfs/dbraw/zinc/28/76/24/500287624.db2.gz ZTAODMXVQWDQBF-UYAOXDASSA-N 2 0 372.557 3.243 20 0 FGADRP [NH3+]CC1CCC([NH2+]Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)CC1 ZINC000422711710 500288630 /nfs/dbraw/zinc/28/86/30/500288630.db2.gz FXGBQCPXZBCXKH-UHFFFAOYSA-N 2 0 352.404 3.498 20 0 FGADRP CC[N@H+](CCC1CCN(C(=O)NC[C@]2(C)CCC[NH2+]C2)CC1)CC(C)C ZINC000418538546 500288930 /nfs/dbraw/zinc/28/89/30/500288930.db2.gz KZYWCBKJAVFAPN-OAQYLSRUSA-N 2 0 366.594 3.166 20 0 FGADRP COC[C@@H](CCC[NH3+])[NH2+]Cc1cccc(NC(=O)c2ccc(C)cc2)c1 ZINC000422716628 500289148 /nfs/dbraw/zinc/28/91/48/500289148.db2.gz URNZVZMUAMHUGP-HXUWFJFHSA-N 2 0 355.482 3.091 20 0 FGADRP C[C@@H]1C[C@@H](N(C)C(=O)NC[C@@]2(C)CCC[NH2+]C2)CC[N@@H+]1Cc1ccccc1 ZINC000418550147 500290588 /nfs/dbraw/zinc/29/05/88/500290588.db2.gz TUSBAQNTXQMWRW-CBQOVEMMSA-N 2 0 372.557 3.071 20 0 FGADRP CCOc1cc(C[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)ccc1OC ZINC000422735056 500292449 /nfs/dbraw/zinc/29/24/49/500292449.db2.gz UKAHBCRWBXEIDE-PGRDOPGGSA-N 2 0 368.477 3.439 20 0 FGADRP CCOC(=O)C1([C@H](C)[NH2+]CCc2ccccc2C(F)(F)F)CC[NH2+]CC1 ZINC000422740260 500292551 /nfs/dbraw/zinc/29/25/51/500292551.db2.gz NCHJMCBWYGQUFJ-AWEZNQCLSA-N 2 0 372.431 3.159 20 0 FGADRP CCN(CC)[C@H](C[NH2+][C@@H]1CCOC[C@@H]1[C@H](C)[NH3+])c1ccccc1Cl ZINC000422741410 500292875 /nfs/dbraw/zinc/29/28/75/500292875.db2.gz DLFLRTCYRIYUIH-RGIVZKHGSA-N 2 0 353.938 3.065 20 0 FGADRP COC[C@@H](CCC[NH3+])[NH2+]CC1(c2cccc(Br)c2)CCC1 ZINC000422741985 500292933 /nfs/dbraw/zinc/29/29/33/500292933.db2.gz QPPARECJURDXLY-MRXNPFEDSA-N 2 0 355.320 3.214 20 0 FGADRP CCN(CC)[C@H](C[NH2+][C@@H]1CCOC[C@H]1[C@H](C)[NH3+])c1ccccc1Cl ZINC000422741408 500293295 /nfs/dbraw/zinc/29/32/95/500293295.db2.gz DLFLRTCYRIYUIH-IAAVTCLWSA-N 2 0 353.938 3.065 20 0 FGADRP C[C@@H]1Cc2ccccc2N1CC[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422752930 500293573 /nfs/dbraw/zinc/29/35/73/500293573.db2.gz BMSKUPDMCLBTBE-DHJUGAMNSA-N 2 0 363.505 3.283 20 0 FGADRP C[C@H]([NH2+]CC1(c2cccc(C(F)(F)F)c2)CCOCC1)[C@H]1CCC[NH2+]1 ZINC000422756611 500294470 /nfs/dbraw/zinc/29/44/70/500294470.db2.gz JCDMMFGSZOUGQH-WMLDXEAASA-N 2 0 356.432 3.484 20 0 FGADRP c1ccc(CN2CC[C@H]([NH2+][C@H]3C[C@@]4(CC[NH2+]C4)Oc4ccccc43)C2)cc1 ZINC000422772060 500295779 /nfs/dbraw/zinc/29/57/79/500295779.db2.gz YCJJIYGADBKWGG-IEIRFRATSA-N 2 0 363.505 3.106 20 0 FGADRP COc1ccc([C@H](NC[C@@H](c2cccs2)[NH+](C)C)[C@H]2CCC[NH2+]2)cc1 ZINC000422771245 500295783 /nfs/dbraw/zinc/29/57/83/500295783.db2.gz XGVQSXIRWOSNLC-HBFSDRIKSA-N 2 0 359.539 3.442 20 0 FGADRP COc1ccc([C@@H](NCC[N@H+](C)Cc2ccccc2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422769118 500296060 /nfs/dbraw/zinc/29/60/60/500296060.db2.gz UMOXGNDWYMCAFS-FCHUYYIVSA-N 2 0 353.510 3.210 20 0 FGADRP COc1ccc([C@H](Cc2ccccc2C)[NH2+][C@@H](C)C2C[NH2+]C2)cc1OC ZINC000422778436 500296771 /nfs/dbraw/zinc/29/67/71/500296771.db2.gz HMBNLFYOWSYILE-JXFKEZNVSA-N 2 0 354.494 3.494 20 0 FGADRP CC[N@H+](CCC1CCN(C(=O)N[C@H](C[NH3+])C2CCCC2)CC1)CC1CC1 ZINC000418615958 500297023 /nfs/dbraw/zinc/29/70/23/500297023.db2.gz HPUMAAJDFSLCNZ-HXUWFJFHSA-N 2 0 364.578 3.048 20 0 FGADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]CC1(c2cccc(C(F)(F)F)c2)CCC1 ZINC000422786072 500297131 /nfs/dbraw/zinc/29/71/31/500297131.db2.gz OERUJCPKGPDERA-JQFCIGGWSA-N 2 0 356.432 3.469 20 0 FGADRP Fc1ccc(-n2ccc(CC[NH2+][C@@H]3CCC[C@H]3[C@H]3CCCC[NH2+]3)n2)cc1 ZINC000422789324 500298246 /nfs/dbraw/zinc/29/82/46/500298246.db2.gz OBFQIYAXICTEKD-PWRODBHTSA-N 2 0 356.489 3.454 20 0 FGADRP CC1CC[NH+](Cc2ccc(C[NH2+][C@@H]3CCOC[C@H]3[C@@H]3CCC[NH2+]3)cc2)CC1 ZINC000422802660 500299805 /nfs/dbraw/zinc/29/98/05/500299805.db2.gz HTNKYUIAFHQWSD-RJGXRXQPSA-N 3 0 371.569 3.165 20 0 FGADRP CCOC(=O)C1([C@@H](C)[NH2+]Cc2coc(-c3ccc(C)cc3)n2)CC[NH2+]CC1 ZINC000422807492 500300252 /nfs/dbraw/zinc/30/02/52/500300252.db2.gz JTDOSDDFPXAYNU-MRXNPFEDSA-N 2 0 371.481 3.061 20 0 FGADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]Cc1ccc(CN2CCc3ccccc32)cc1 ZINC000422811109 500301333 /nfs/dbraw/zinc/30/13/33/500301333.db2.gz OKIPEBZQDUNAPE-HSQYWUDLSA-N 2 0 365.521 3.091 20 0 FGADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCC1CCN(CC(F)(F)F)CC1 ZINC000422820475 500302016 /nfs/dbraw/zinc/30/20/16/500302016.db2.gz QTYBRKWMHHNRLC-YJBOKZPZSA-N 2 0 357.464 3.199 20 0 FGADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000422837100 500303964 /nfs/dbraw/zinc/30/39/64/500303964.db2.gz LJKZHGXWWKAICH-NRJQMVOHSA-N 2 0 352.526 3.410 20 0 FGADRP CCOc1c(OC)cc(C[NH2+][C@@H](C)c2ccc(C[NH3+])nc2C)cc1OC ZINC000422840183 500304302 /nfs/dbraw/zinc/30/43/02/500304302.db2.gz SFMWNTKCUYQKOD-ZDUSSCGKSA-N 2 0 359.470 3.115 20 0 FGADRP C[C@@H](CCC[NH3+])[NH2+][C@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000422873054 500308272 /nfs/dbraw/zinc/30/82/72/500308272.db2.gz JQDWMAVIDVLWEI-JQWIXIFHSA-N 2 0 350.816 3.050 20 0 FGADRP C[NH2+]CC1CC[NH+]([C@@H](C)C(=O)N[C@@H](C)c2ccc3ccccc3c2)CC1 ZINC000430929330 500308372 /nfs/dbraw/zinc/30/83/72/500308372.db2.gz VXXCIBUUMVXLPA-IRXDYDNUSA-N 2 0 353.510 3.337 20 0 FGADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@H]1CCN(C(=O)CCc2ccccc2)C1 ZINC000422869792 500308411 /nfs/dbraw/zinc/30/84/11/500308411.db2.gz APUIULLKPGTODI-GIVPXCGWSA-N 2 0 357.542 3.121 20 0 FGADRP CCOC(=O)C1([C@@H](C)[NH2+]Cc2ccc(C)cc2OC(C)C)CC[NH2+]CC1 ZINC000422879964 500309429 /nfs/dbraw/zinc/30/94/29/500309429.db2.gz WIRJPPYCSSZOGD-QGZVFWFLSA-N 2 0 362.514 3.193 20 0 FGADRP CCOC(=O)C1([C@@H](C)[NH2+][C@H](C)c2cccc(OC(F)F)c2)CC[NH2+]CC1 ZINC000422880087 500309473 /nfs/dbraw/zinc/30/94/73/500309473.db2.gz LPCYESBPWUQEIK-ZIAGYGMSSA-N 2 0 370.440 3.260 20 0 FGADRP COC[C@@H](CCC[NH3+])[NH2+]Cc1cc(Cl)cc(Cl)c1OC(F)F ZINC000422882247 500310064 /nfs/dbraw/zinc/31/00/64/500310064.db2.gz ZUILBSXTNQOQGK-LLVKDONJSA-N 2 0 357.228 3.438 20 0 FGADRP CC[NH+]1CCN(Cc2ccc(CN[C@H]3C[C@H]([NH3+])c4ccccc43)cc2)CC1 ZINC000422890196 500311921 /nfs/dbraw/zinc/31/19/21/500311921.db2.gz HWPRIONNFJTZJG-GOTSBHOMSA-N 2 0 364.537 3.059 20 0 FGADRP C[C@@H](C[C@@H]1COCCN1)[NH2+]CCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000422901033 500313931 /nfs/dbraw/zinc/31/39/31/500313931.db2.gz BBDFCNLXMIPSPI-NZQKXSOJSA-N 2 0 373.585 3.078 20 0 FGADRP CCc1nc(CN2CCC(C[NH2+][C@@H]3CCCCC[C@@H]3[NH3+])CC2)cs1 ZINC000422913540 500316082 /nfs/dbraw/zinc/31/60/82/500316082.db2.gz QDSATHUTDKCLHU-ZWKOTPCHSA-N 2 0 350.576 3.167 20 0 FGADRP CC[NH+]1CCN(Cc2ccc(N[C@@H](C)c3ccc(C[NH3+])nc3C)cc2)CC1 ZINC000422922118 500317171 /nfs/dbraw/zinc/31/71/71/500317171.db2.gz PPTAQBGZEKJJQX-KRWDZBQOSA-N 2 0 367.541 3.159 20 0 FGADRP Cc1sc(CC[NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)nc1-c1ccccc1 ZINC000422930639 500318372 /nfs/dbraw/zinc/31/83/72/500318372.db2.gz VIMOCMRBROPXEL-CEXWTWQISA-N 2 0 371.550 3.408 20 0 FGADRP CCOC(=O)C1([C@@H](C)[NH2+]CCc2csc3ccccc23)CC[NH2+]CC1 ZINC000422942323 500321060 /nfs/dbraw/zinc/32/10/60/500321060.db2.gz WMVCISBQJVWQMN-OAHLLOKOSA-N 2 0 360.523 3.355 20 0 FGADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1ccc(OCCOc2ccccc2)nc1 ZINC000422971896 500325422 /nfs/dbraw/zinc/32/54/22/500325422.db2.gz KAXJSSNEJNZVCM-YLJYHZDGSA-N 2 0 355.482 3.017 20 0 FGADRP C[C@H](C(=O)Nc1ccc(C(F)(F)F)cc1)[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000431026884 500325555 /nfs/dbraw/zinc/32/55/55/500325555.db2.gz GZMAAVYQILUTKE-CYBMUJFWSA-N 2 0 355.404 3.108 20 0 FGADRP CC1CC[NH+](Cc2ccccc2C[NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)CC1 ZINC000422970209 500325516 /nfs/dbraw/zinc/32/55/16/500325516.db2.gz VUYZMWAFMUHIJJ-YTFSRNRJSA-N 3 0 371.569 3.165 20 0 FGADRP O=C(C[NH+]1CCC2(CC[NH2+]C2)CC1)Nc1cccc(Oc2ccccc2)c1 ZINC000431030537 500326001 /nfs/dbraw/zinc/32/60/01/500326001.db2.gz OCIUAQDZSPPZBV-UHFFFAOYSA-N 2 0 365.477 3.493 20 0 FGADRP O=C(C[NH+]1CCC2(CC[NH2+]C2)CC1)N[C@@H](c1ccccc1)C1CCCC1 ZINC000431032010 500326192 /nfs/dbraw/zinc/32/61/92/500326192.db2.gz GTWXNVRLOMHMER-NRFANRHFSA-N 2 0 355.526 3.110 20 0 FGADRP OC[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)Cc1ccccc1C(F)(F)F ZINC000422988333 500327899 /nfs/dbraw/zinc/32/78/99/500327899.db2.gz ISSCKTPWAROFEB-IAAVTCLWSA-N 2 0 370.459 3.367 20 0 FGADRP CC[NH+]1CCC(C[NH2+][C@@H]2CC3(CC[NH+](C)CC3)Oc3ccccc32)CC1 ZINC000576567989 506189600 /nfs/dbraw/zinc/18/96/00/506189600.db2.gz YBIFKEYDFNRYMU-HXUWFJFHSA-N 3 0 357.542 3.296 20 0 FGADRP CCOC(=O)C1([C@H](C)[NH2+]Cc2cccc(-c3ccccn3)c2)CC[NH2+]CC1 ZINC000422995317 500328289 /nfs/dbraw/zinc/32/82/89/500328289.db2.gz JTYCIOKJFFWWGY-KRWDZBQOSA-N 2 0 367.493 3.160 20 0 FGADRP C[C@H]([NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)[C@H]1COc2ccccc21 ZINC000423004661 500329603 /nfs/dbraw/zinc/32/96/03/500329603.db2.gz POLLXESDAANQKA-DJZBOODTSA-N 2 0 350.462 3.397 20 0 FGADRP CC(C)C[N@@H+]1CCC[C@H](CN[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000423001400 500329716 /nfs/dbraw/zinc/32/97/16/500329716.db2.gz WWWHDVWFTUTNMY-UZKOGDIHSA-N 2 0 357.542 3.200 20 0 FGADRP CCOC(=O)C1([C@@H](C)[NH2+][C@H](c2ccc(F)c(C)c2)C2CC2)CC[NH2+]CC1 ZINC000423012414 500331030 /nfs/dbraw/zinc/33/10/30/500331030.db2.gz KUTHTQORIGKNLN-BEFAXECRSA-N 2 0 362.489 3.496 20 0 FGADRP Cc1cc(Br)cn2cc(CC[NH2+][C@H]3CCCC[C@@H]3C[NH3+])nc12 ZINC000423035428 500333200 /nfs/dbraw/zinc/33/32/00/500333200.db2.gz JKIFVSLJRVDURN-CJNGLKHVSA-N 2 0 365.319 3.055 20 0 FGADRP Fc1ccc(CC[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c(F)c1F ZINC000423028086 500333249 /nfs/dbraw/zinc/33/32/49/500333249.db2.gz FTHQDUFGRXIGLY-UZLBHIALSA-N 2 0 362.395 3.492 20 0 FGADRP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O ZINC000423037402 500333833 /nfs/dbraw/zinc/33/38/33/500333833.db2.gz BMORLMHTDRKAOM-RHSMWYFYSA-N 2 0 371.447 3.304 20 0 FGADRP Cc1ccc(Br)cc1C[NH2+][C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC000423057101 500336683 /nfs/dbraw/zinc/33/66/83/500336683.db2.gz GXFJKWUGLNPKAL-GVDBMIGSSA-N 2 0 353.304 3.004 20 0 FGADRP Cn1cc(CC[NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)c2ccc(Cl)cc21 ZINC000423064109 500337297 /nfs/dbraw/zinc/33/72/97/500337297.db2.gz QLASPXQVAKGYOQ-GUDVDZBRSA-N 2 0 361.917 3.121 20 0 FGADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+][C@@H]1CCCN(c2ccc(Cl)cc2Cl)C1 ZINC000423066642 500337926 /nfs/dbraw/zinc/33/79/26/500337926.db2.gz FBQABFZPNYPUDQ-PWXKEOIMSA-N 2 0 372.340 3.304 20 0 FGADRP CCOC(=O)C1([C@H](C)[NH2+][C@@H]2CC[C@H](c3ccc(F)cc3)C2)CC[NH2+]CC1 ZINC000423081044 500340038 /nfs/dbraw/zinc/34/00/38/500340038.db2.gz AWMJLGTWBLGJDA-VDZJLULYSA-N 2 0 362.489 3.373 20 0 FGADRP Brc1cnn(CCCC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)c1 ZINC000423084736 500340124 /nfs/dbraw/zinc/34/01/24/500340124.db2.gz IRBSVBCUMFMHQH-GVDBMIGSSA-N 2 0 369.351 3.326 20 0 FGADRP CCOC(=O)C1([C@H](C)[NH2+]Cc2ccc(-c3ccco3)cc2F)CC[NH2+]CC1 ZINC000423088795 500340211 /nfs/dbraw/zinc/34/02/11/500340211.db2.gz SWCCUKPLNKSIGQ-HNNXBMFYSA-N 2 0 374.456 3.497 20 0 FGADRP CCOC(=O)C1([C@H](C)[NH2+][C@H]2CC[C@H](c3cccc(F)c3)C2)CC[NH2+]CC1 ZINC000423093242 500341354 /nfs/dbraw/zinc/34/13/54/500341354.db2.gz GSEIHZDCHOMFSJ-IEZWGBDMSA-N 2 0 362.489 3.373 20 0 FGADRP CCOC(=O)C1([C@H](C)[NH2+]Cc2ccc(OCC)c(Cl)c2)CC[NH2+]CC1 ZINC000423101238 500342537 /nfs/dbraw/zinc/34/25/37/500342537.db2.gz IKAAINKSICYKKS-AWEZNQCLSA-N 2 0 368.905 3.150 20 0 FGADRP CCOC(=O)C1([C@@H](C)[NH2+]CCc2ccc(Cl)c(C)c2)CC[NH2+]CC1 ZINC000423132088 500346466 /nfs/dbraw/zinc/34/64/66/500346466.db2.gz BMUCEPYGIURZHY-OAHLLOKOSA-N 2 0 352.906 3.102 20 0 FGADRP CC[C@H](COCC(F)(F)F)[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423148389 500348533 /nfs/dbraw/zinc/34/85/33/500348533.db2.gz VMDKEARMZXASDG-KMFMINBZSA-N 2 0 358.404 3.189 20 0 FGADRP CCOC(=O)C1([C@H](C)[NH2+]C[C@@H]2CCC[C@@H]2c2ccccc2)CC[NH2+]CC1 ZINC000423153413 500349168 /nfs/dbraw/zinc/34/91/68/500349168.db2.gz GLRVVJXAHIMIFN-YSIASYRMSA-N 2 0 358.526 3.481 20 0 FGADRP CCOC(=O)c1cnn(C2CC[NH+]([C@H](C)C[C@H]3CCCCC[NH2+]3)CC2)c1 ZINC000423152410 500349267 /nfs/dbraw/zinc/34/92/67/500349267.db2.gz DZEMXWZPNXOQLQ-SJLPKXTDSA-N 2 0 362.518 3.008 20 0 FGADRP FC(F)(F)c1ccc([C@H]2CC[C@@H]([NH2+]CCCN3CC[NH2+]CC3)C2)cc1 ZINC000423176981 500351752 /nfs/dbraw/zinc/35/17/52/500351752.db2.gz DGFSBUVMGNNHAT-FUHWJXTLSA-N 2 0 355.448 3.226 20 0 FGADRP Cc1nc(-c2cc([C@@H](C)[NH2+]CCCN3CC[NH2+]CC3)cs2)cs1 ZINC000423188399 500353172 /nfs/dbraw/zinc/35/31/72/500353172.db2.gz YYDUKHKJEAPTSM-CYBMUJFWSA-N 2 0 350.557 3.126 20 0 FGADRP Cc1ccccc1COc1ccc([C@H](C)[NH2+]CCN2CC[NH2+]CC2)cc1 ZINC000423212030 500355614 /nfs/dbraw/zinc/35/56/14/500355614.db2.gz ZLPPDEJYIXLNKA-IBGZPJMESA-N 2 0 353.510 3.130 20 0 FGADRP C[C@H]([NH3+])CC[NH2+][C@@H](C)CC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000423225942 500356028 /nfs/dbraw/zinc/35/60/28/500356028.db2.gz OVDWWEJPDIQODW-UWVGGRQHSA-N 2 0 351.800 3.403 20 0 FGADRP C[C@@H]([NH2+]CC[C@H]1CCC[NH2+]C1)c1ccc(I)cc1 ZINC000423262510 500359434 /nfs/dbraw/zinc/35/94/34/500359434.db2.gz VOMCEEQYJPPDJX-CHWSQXEVSA-N 2 0 358.267 3.332 20 0 FGADRP C[C@@H]([NH2+]Cc1ccc([C@H](C)[NH3+])cc1)c1cccc(N2CCCS2(=O)=O)c1 ZINC000423293930 500362456 /nfs/dbraw/zinc/36/24/56/500362456.db2.gz SNQPOLPLRIKIRG-JKSUJKDBSA-N 2 0 373.522 3.097 20 0 FGADRP C[N@H+](CCCNC(=O)C(C)(C)[C@@H]([NH3+])c1ccccc1)Cc1ccccc1 ZINC000423309478 500363207 /nfs/dbraw/zinc/36/32/07/500363207.db2.gz LLODACSTFBEARL-FQEVSTJZSA-N 2 0 353.510 3.351 20 0 FGADRP C[C@H]([NH3+])c1ccc(C(=O)NC2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000423325457 500364740 /nfs/dbraw/zinc/36/47/40/500364740.db2.gz ISYMZEQQHZIKEX-KRWDZBQOSA-N 2 0 351.494 3.143 20 0 FGADRP C[C@H]([NH2+]CC[C@H]1CCC[NH2+]1)c1ccc(F)c(I)c1 ZINC000423355903 500366614 /nfs/dbraw/zinc/36/66/14/500366614.db2.gz IYXGSAUQWJHMRH-CMPLNLGQSA-N 2 0 362.230 3.223 20 0 FGADRP CC(C)[C@@H]([NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1cc(F)ccc1F ZINC000423391039 500369506 /nfs/dbraw/zinc/36/95/06/500369506.db2.gz PAVFVVGMBZCFDM-JKSUJKDBSA-N 2 0 365.390 3.088 20 0 FGADRP COCC1(C[NH2+][C@H]2CCc3c2cccc3Br)CC[NH2+]CC1 ZINC000423407744 500371728 /nfs/dbraw/zinc/37/17/28/500371728.db2.gz NEFYYSQOZKBKPK-INIZCTEOSA-N 2 0 353.304 3.042 20 0 FGADRP [NH3+][C@@H](CC1CCCCC1)C(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000423404846 500371006 /nfs/dbraw/zinc/37/10/06/500371006.db2.gz XUGZYKVRIRWTAK-IBGZPJMESA-N 2 0 361.555 3.472 20 0 FGADRP COCC1(C[NH2+][C@@H]2CCc3cc(Br)cc(C)c32)CC[NH2+]CC1 ZINC000423403944 500371259 /nfs/dbraw/zinc/37/12/59/500371259.db2.gz HZKPDBARMWHOLW-MRXNPFEDSA-N 2 0 367.331 3.351 20 0 FGADRP C[C@@H]([NH2+]C[C@H]1CC[C@H](C[NH3+])CC1)c1ccc(OCc2nccn2C)cc1 ZINC000423416544 500372892 /nfs/dbraw/zinc/37/28/92/500372892.db2.gz CRRABRGNHNWOBI-KZNAEPCWSA-N 2 0 356.514 3.415 20 0 FGADRP C[C@H]([NH3+])c1ccc(C(=O)Nc2ccc3ccn(CC[NH+](C)C)c3c2)cc1 ZINC000423416254 500372975 /nfs/dbraw/zinc/37/29/75/500372975.db2.gz CFHZMMBUKVNZEC-HNNXBMFYSA-N 2 0 350.466 3.475 20 0 FGADRP COC[C@@]1(C[NH2+][C@H](Cc2ccccc2Br)C2CC2)CCC[NH2+]1 ZINC000423418514 500373015 /nfs/dbraw/zinc/37/30/15/500373015.db2.gz USMHSVOHJOIEET-MSOLQXFVSA-N 2 0 367.331 3.128 20 0 FGADRP C[C@H]([NH2+][C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)c1ccccc1C(F)(F)F ZINC000423446483 500375246 /nfs/dbraw/zinc/37/52/46/500375246.db2.gz CRNRBWHKDRXDFC-XZOAIXRZSA-N 2 0 369.431 3.003 20 0 FGADRP C[C@@H]([NH2+]CCC[C@H]1CCC[NH2+]1)c1ccc(I)cc1 ZINC000423471057 500376436 /nfs/dbraw/zinc/37/64/36/500376436.db2.gz DVOFCKMUJIXWKA-DOMZBBRYSA-N 2 0 358.267 3.474 20 0 FGADRP Fc1ccc([C@@H]2CC[NH2+]C[C@@H]2C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCCC3)cc1 ZINC000423479282 500377587 /nfs/dbraw/zinc/37/75/87/500377587.db2.gz UXPPDFBEEGQCHN-RSRIQPTJSA-N 2 0 358.501 3.456 20 0 FGADRP [NH3+]CCC[C@H]([NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1ccccc1 ZINC000423504800 500379993 /nfs/dbraw/zinc/37/99/93/500379993.db2.gz HEPHEOMELMCTQB-ONTIZHBOSA-N 3 0 351.494 3.312 20 0 FGADRP C[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)c1ccccc1I ZINC000423542177 500383678 /nfs/dbraw/zinc/38/36/78/500383678.db2.gz LWSXJKDISDGIIE-IGQOVBAYSA-N 2 0 370.278 3.330 20 0 FGADRP C[C@@H]([NH2+]CCC1=CC[NH2+]CC1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000423539863 500383793 /nfs/dbraw/zinc/38/37/93/500383793.db2.gz PLXAOXOLGKYZMB-MRXNPFEDSA-N 2 0 362.539 3.363 20 0 FGADRP Fc1cccc(Cl)c1CN1CCC([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000423547627 500384297 /nfs/dbraw/zinc/38/42/97/500384297.db2.gz QCPJREKEBGSZIE-YQQAZPJKSA-N 2 0 365.924 3.421 20 0 FGADRP CCc1cccnc1[C@H](C)[NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1 ZINC000423558064 500384985 /nfs/dbraw/zinc/38/49/85/500384985.db2.gz ITMQMNASPRQSLW-SFHVURJKSA-N 2 0 352.526 3.288 20 0 FGADRP Cc1cc(NC(=O)[C@@H]2CCC[N@@H+]2C2CC2)cc(N2CC[NH+](C(C)C)CC2)c1 ZINC000427411762 500390807 /nfs/dbraw/zinc/39/08/07/500390807.db2.gz GMIFPPFUUMVMKZ-NRFANRHFSA-N 2 0 370.541 3.091 20 0 FGADRP COc1cccc([C@@H](CNC(=O)C[C@H](c2ccccc2)[NH+](C)C)[NH+](C)C)c1 ZINC000431560165 500392284 /nfs/dbraw/zinc/39/22/84/500392284.db2.gz YHJCMBFKJBWGAY-NHCUHLMSSA-N 2 0 369.509 3.107 20 0 FGADRP [NH3+]CCCn1ccc2cc(C(=O)N3CCCC[C@H]3c3ncc[nH]3)ccc21 ZINC000423740128 500398426 /nfs/dbraw/zinc/39/84/26/500398426.db2.gz GPPRMFIKPINHLW-SFHVURJKSA-N 2 0 351.454 3.081 20 0 FGADRP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccccc1CC1CC[NH2+]CC1 ZINC000423795983 500402543 /nfs/dbraw/zinc/40/25/43/500402543.db2.gz GQROVPFSVBQFDT-HXUWFJFHSA-N 2 0 357.542 3.079 20 0 FGADRP COc1cccc([C@H](CNC(=O)CC[C@@H]2CCCC[N@@H+]2C)[NH+]2CCCC2)c1 ZINC000431655077 500403600 /nfs/dbraw/zinc/40/36/00/500403600.db2.gz WGZZQMFTDMQPJQ-FPOVZHCZSA-N 2 0 373.541 3.213 20 0 FGADRP CC[N@H+](C)Cc1cccc(CNC(=O)C[C@@H](c2ccccc2)[NH+](C)C)c1 ZINC000431728669 500415946 /nfs/dbraw/zinc/41/59/46/500415946.db2.gz OMWFKBXFTMHYPH-NRFANRHFSA-N 2 0 353.510 3.448 20 0 FGADRP C[C@]1(C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)CCCC[NH2+]1 ZINC000423911275 500418424 /nfs/dbraw/zinc/41/84/24/500418424.db2.gz VJSVMIJIACYPIQ-TUNNFDKTSA-N 2 0 355.526 3.032 20 0 FGADRP C[C@]1(C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)CCCC[NH2+]1 ZINC000423911267 500418594 /nfs/dbraw/zinc/41/85/94/500418594.db2.gz VJSVMIJIACYPIQ-KCZVDYSFSA-N 2 0 355.526 3.032 20 0 FGADRP COc1cccc(NC(=O)[C@@H](c2ccccc2)[NH+]2CCC(C[NH3+])CC2)c1 ZINC000420269228 500431241 /nfs/dbraw/zinc/43/12/41/500431241.db2.gz HQQRTWUKULQLDO-HXUWFJFHSA-N 2 0 353.466 3.046 20 0 FGADRP O=C(Nc1cc(Cl)cc(Cl)c1)[C@H]1CCC[N@@H+]1CC[C@H]1CC[NH2+]C1 ZINC000420297885 500435775 /nfs/dbraw/zinc/43/57/75/500435775.db2.gz DTHKXXYTMPSQRA-MLGOLLRUSA-N 2 0 356.297 3.396 20 0 FGADRP CSc1ccccc1C(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000424021851 500438330 /nfs/dbraw/zinc/43/83/30/500438330.db2.gz RMYKXDKTCIWQIQ-UHFFFAOYSA-N 2 0 369.534 3.132 20 0 FGADRP Cn1ccnc1C[N@H+](C[C@H]1CCCC(F)(F)C1)[C@H]1CC12CC[NH2+]CC2 ZINC000420310103 500439089 /nfs/dbraw/zinc/43/90/89/500439089.db2.gz MBRHNOFAEMYDCX-HOTGVXAUSA-N 2 0 352.473 3.190 20 0 FGADRP COc1ccc([C@@H](C[NH3+])C[NH+]2CCC(N(C)c3ccccc3)CC2)cc1 ZINC000420317479 500440678 /nfs/dbraw/zinc/44/06/78/500440678.db2.gz NDFZTPZIBLIACC-IBGZPJMESA-N 2 0 353.510 3.338 20 0 FGADRP O=C([C@H](c1ccccc1)[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)N1CCCCC1 ZINC000420330551 500442590 /nfs/dbraw/zinc/44/25/90/500442590.db2.gz AUQXNJFNIZRBCA-HKBOAZHASA-N 2 0 355.526 3.062 20 0 FGADRP [NH3+]C[C@@H]1C[N@H+](CCOc2cc(Cl)cc(Cl)c2)CC12CCOCC2 ZINC000420330961 500443093 /nfs/dbraw/zinc/44/30/93/500443093.db2.gz QIXFZOBOTTWBKE-CYBMUJFWSA-N 2 0 359.297 3.060 20 0 FGADRP C[C@H](C(=O)Nc1cccc(C(F)(F)F)c1)[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000420337140 500443788 /nfs/dbraw/zinc/44/37/88/500443788.db2.gz JMZRDRIWKVJXBR-DYVFJYSZSA-N 2 0 369.431 3.496 20 0 FGADRP CC(C)(C)N(Cc1ccccc1)C(=O)C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000420345367 500445782 /nfs/dbraw/zinc/44/57/82/500445782.db2.gz VYZZWCUXHXDANP-HXUWFJFHSA-N 2 0 357.542 3.278 20 0 FGADRP CCC[C@H](NC(=O)[C@H](C)[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1)c1ccccc1 ZINC000420343775 500445789 /nfs/dbraw/zinc/44/57/89/500445789.db2.gz RGPHJMSJRADFNC-YYWHXJBOSA-N 2 0 357.542 3.497 20 0 FGADRP CC1(C)C[NH2+]CC[C@H]1[NH2+]CCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000420359864 500447580 /nfs/dbraw/zinc/44/75/80/500447580.db2.gz KQERIMNSYAYHJT-HXUWFJFHSA-N 2 0 365.521 3.260 20 0 FGADRP Cc1cc(C(C)(C)C)cc(C)c1C[N@@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000420384097 500452822 /nfs/dbraw/zinc/45/28/22/500452822.db2.gz RJMYFUMZXGUFBU-LJQANCHMSA-N 2 0 355.530 3.488 20 0 FGADRP CC(C)n1cncc1C[NH2+]Cc1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000424130201 500458416 /nfs/dbraw/zinc/45/84/16/500458416.db2.gz HCBKOVMLHCYOHO-ROUUACIJSA-N 2 0 356.514 3.363 20 0 FGADRP C[C@H](C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1)[C@H]([NH3+])c1ccccc1 ZINC000424214184 500469807 /nfs/dbraw/zinc/46/98/07/500469807.db2.gz BTVDUSLYEZSZPC-MVWVFHAYSA-N 2 0 363.505 3.055 20 0 FGADRP CC[NH+]1CCN(CCC[NH2+][C@@H](Cc2ccncc2)c2cccs2)CC1 ZINC000424274049 500479721 /nfs/dbraw/zinc/47/97/21/500479721.db2.gz YFADHCZASMGEEY-IBGZPJMESA-N 2 0 358.555 3.044 20 0 FGADRP CC(C)[C@@H](NC(=O)C[N@@H+]1CC2(C[C@H]1C)CC[NH2+]CC2)c1ccc(F)cc1 ZINC000424285743 500481154 /nfs/dbraw/zinc/48/11/54/500481154.db2.gz GIFMMWCIRHHNJC-OXQOHEQNSA-N 2 0 361.505 3.103 20 0 FGADRP Cc1ccc([C@@H](NC(=O)C[N@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)C2CC2)cc1 ZINC000424287640 500481579 /nfs/dbraw/zinc/48/15/79/500481579.db2.gz JIOMECSGSAPMEE-DYESRHJHSA-N 2 0 355.526 3.026 20 0 FGADRP C[C@@H]1CC2(C[N@@H+]1CC(=O)Nc1ccc(C(F)(F)F)cc1)CC[NH2+]CC2 ZINC000424302005 500484085 /nfs/dbraw/zinc/48/40/85/500484085.db2.gz YQYYROGSCNCIBN-CYBMUJFWSA-N 2 0 355.404 3.108 20 0 FGADRP CN(C[C@@H](C[NH3+])c1ccc(F)cc1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000424307108 500484530 /nfs/dbraw/zinc/48/45/30/500484530.db2.gz WVSPZFDHBFCKFN-PZJWPPBQSA-N 2 0 355.501 3.322 20 0 FGADRP c1nn(C2CC[NH+](Cc3cccc(-c4ccncc4)c3)CC2)c2c1C[NH2+]C2 ZINC000424376597 500493836 /nfs/dbraw/zinc/49/38/36/500493836.db2.gz LAEJBIZBENBLQY-UHFFFAOYSA-N 2 0 359.477 3.385 20 0 FGADRP COc1cc(Br)ccc1C[N@@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424381422 500494527 /nfs/dbraw/zinc/49/45/27/500494527.db2.gz QSXJFMPTURSQAR-CYBMUJFWSA-N 2 0 353.304 3.422 20 0 FGADRP C[C@H]1C[N@H+](CCCNCc2cnn(-c3ccc(Cl)cc3)c2)CCCO1 ZINC000432346438 500502167 /nfs/dbraw/zinc/50/21/67/500502167.db2.gz JPEFPERBSSPPFC-INIZCTEOSA-N 2 0 362.905 3.116 20 0 FGADRP Cc1cc(C[NH3+])cc(NC(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000424427264 500502303 /nfs/dbraw/zinc/50/23/03/500502303.db2.gz ODRDACABHYDYOI-GOSISDBHSA-N 2 0 352.482 3.097 20 0 FGADRP CCCOc1cc(C[NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)ccc1OC ZINC000432356314 500504408 /nfs/dbraw/zinc/50/44/08/500504408.db2.gz IIIWFFWVBZADBV-KRWDZBQOSA-N 2 0 350.503 3.075 20 0 FGADRP Cc1cc(C[NH3+])cc(NC(=O)N(CCCc2ccccc2)CC[NH+](C)C)c1 ZINC000424433791 500504575 /nfs/dbraw/zinc/50/45/75/500504575.db2.gz IOLGAUBDIHZHCM-UHFFFAOYSA-N 2 0 368.525 3.482 20 0 FGADRP Cc1cc(C[NH3+])cc(NC(=O)NCCC[N@@H+]2CCc3ccccc3C2)c1 ZINC000424435432 500504977 /nfs/dbraw/zinc/50/49/77/500504977.db2.gz IJANQMJJSBJABD-UHFFFAOYSA-N 2 0 352.482 3.024 20 0 FGADRP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)N[C@H]1CC[NH+](Cc2ccccc2)CC1(C)C ZINC000420856050 500516451 /nfs/dbraw/zinc/51/64/51/500516451.db2.gz CHFAXSOYKVTFOL-PMACEKPBSA-N 2 0 372.557 3.023 20 0 FGADRP CCC[N@H+](CC)Cc1ccc(C(=O)N2CCC[C@H]3C[NH+](C)CC[C@H]32)cc1 ZINC000428706499 500546621 /nfs/dbraw/zinc/54/66/21/500546621.db2.gz ARGPFUIRRURBIU-LEWJYISDSA-N 2 0 357.542 3.475 20 0 FGADRP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)NCC[NH+]1CCC2(CCCCC2)CC1 ZINC000442604692 500604153 /nfs/dbraw/zinc/60/41/53/500604153.db2.gz XMNFEINKOQGKMN-IBGZPJMESA-N 2 0 364.578 3.016 20 0 FGADRP C[NH+](C)Cc1ccsc1C(=O)NC[C@@H](c1ccco1)N1CCCCC1 ZINC000447431846 500605193 /nfs/dbraw/zinc/60/51/93/500605193.db2.gz QBICSAYPFNFBCS-INIZCTEOSA-N 2 0 361.511 3.360 20 0 FGADRP C[C@H]1CC[N@H+](CCOc2ccc(NC(=O)[C@@](C)([NH3+])c3ccccc3)cc2)C1 ZINC000447435405 500605537 /nfs/dbraw/zinc/60/55/37/500605537.db2.gz OHQBWXRNPGSVGZ-JTSKRJEESA-N 2 0 367.493 3.220 20 0 FGADRP C[C@]([NH3+])(C(=O)NCc1ccccc1C[NH+]1CCCCC1)c1ccccc1 ZINC000447439949 500606493 /nfs/dbraw/zinc/60/64/93/500606493.db2.gz LMLZCCIKHUCRBG-JOCHJYFZSA-N 2 0 351.494 3.163 20 0 FGADRP CCn1cccc(C[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c1=O ZINC000433065286 500617540 /nfs/dbraw/zinc/61/75/40/500617540.db2.gz DPKPLWBURYROKN-BHIFYINESA-N 2 0 365.521 3.259 20 0 FGADRP C[NH+](C)CCOc1ccc(CC[NH2+][C@@H]2Cc3[nH]c4ccccc4c3C2)cc1 ZINC000442777023 500624637 /nfs/dbraw/zinc/62/46/37/500624637.db2.gz FIYKNFCXCPBFDB-SFHVURJKSA-N 2 0 363.505 3.408 20 0 FGADRP [NH3+]C1CC[NH+](CCCC(=O)N[C@H](c2ccccc2F)C2CCCC2)CC1 ZINC000433144257 500634494 /nfs/dbraw/zinc/63/44/94/500634494.db2.gz BOUKJYDJXNDJMG-NRFANRHFSA-N 2 0 361.505 3.377 20 0 FGADRP CC[C@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)c1ccc(OC(F)F)cc1 ZINC000442862198 500636492 /nfs/dbraw/zinc/63/64/92/500636492.db2.gz FINDOGVWLQSECY-KRWDZBQOSA-N 2 0 355.473 3.355 20 0 FGADRP C[C@@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)c1cccc(OC(F)(F)F)c1 ZINC000442873703 500637974 /nfs/dbraw/zinc/63/79/74/500637974.db2.gz LCJPWXVNIWRKDU-CQSZACIVSA-N 2 0 359.436 3.262 20 0 FGADRP Cc1cc(C)n(CC[N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)n1 ZINC000433176591 500639915 /nfs/dbraw/zinc/63/99/15/500639915.db2.gz QOKIOOQBNPHWFO-UHFFFAOYSA-N 2 0 352.526 3.488 20 0 FGADRP COc1ccc([C@H]2CCCCCN2C(=O)C[N@@H+]2CCC[C@H](CC[NH3+])C2)cc1 ZINC000443058654 500670900 /nfs/dbraw/zinc/67/09/00/500670900.db2.gz KWOQZIGIDVLUKD-WIYYLYMNSA-N 2 0 373.541 3.200 20 0 FGADRP Cc1ccc([C@@H](CNC(=O)N[C@H](C)C(C)(C)C[NH+](C)C)[NH+]2CCCC2)cc1 ZINC000443242241 500700706 /nfs/dbraw/zinc/70/07/06/500700706.db2.gz UUFCWWBYYKRYDA-UYAOXDASSA-N 2 0 374.573 3.407 20 0 FGADRP CC[NH+](CC)Cc1ccccc1CNC(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000433565946 500713842 /nfs/dbraw/zinc/71/38/42/500713842.db2.gz XROOXIJXWXFGNP-NRFANRHFSA-N 2 0 372.557 3.345 20 0 FGADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H](O)Cc2ccccc2C(F)(F)F)C[C@@H]1C ZINC000443409905 500720749 /nfs/dbraw/zinc/72/07/49/500720749.db2.gz YHLQNLDTPJHPNR-XIRDDKMYSA-N 2 0 358.448 3.413 20 0 FGADRP C[C@H]1OCC[C@]12CN(CC(C)(C)C[N@H+](C)Cc1ccccc1)C[C@@H](C)O2 ZINC000448369918 500754908 /nfs/dbraw/zinc/75/49/08/500754908.db2.gz CWFVVGBDRMNRRO-KNKQGSTJSA-N 2 0 360.542 3.413 20 0 FGADRP C[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@H]2CCCO[C@@H]2c2cnn(C)c2)CC1 ZINC000433960124 500772286 /nfs/dbraw/zinc/77/22/86/500772286.db2.gz ODMCKLPOXIYGQI-LRGNLBRXSA-N 2 0 360.546 3.273 20 0 FGADRP CC[C@H](C(=O)N(C)c1ccc(OCC[NH+]2CCCC2)cc1)[NH+](CC)CC ZINC000434148998 500803184 /nfs/dbraw/zinc/80/31/84/500803184.db2.gz XCXVPJNSLSGCAS-HXUWFJFHSA-N 2 0 361.530 3.244 20 0 FGADRP COCCN1CCC[C@@H]1C[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000438835617 500825210 /nfs/dbraw/zinc/82/52/10/500825210.db2.gz WUTSTEIPCXXERP-LZBANZJXSA-N 2 0 359.558 3.130 20 0 FGADRP O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000434355647 500831192 /nfs/dbraw/zinc/83/11/92/500831192.db2.gz PBVBIUUGEYXIMQ-OALUTQOASA-N 2 0 374.529 3.123 20 0 FGADRP C[C@@H](C(=O)N(C)[C@H]1CC[N@H+](C)C[C@H]1C)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000607660293 506219576 /nfs/dbraw/zinc/21/95/76/506219576.db2.gz DVQKBLGEIRCFQL-DXIQSLLYSA-N 2 0 371.569 3.128 20 0 FGADRP CC(C[NH+]1CCC([C@@H]2CCCO2)CC1)C[NH+]1CCC([C@@H]2CCCO2)CC1 ZINC000439298801 500882529 /nfs/dbraw/zinc/88/25/29/500882529.db2.gz VVHQSWFQXLTJGX-VXKWHMMOSA-N 2 0 364.574 3.405 20 0 FGADRP CCc1c2ccccc2oc1C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000448970661 500883563 /nfs/dbraw/zinc/88/35/63/500883563.db2.gz MIUUERRAGLPUJT-UHFFFAOYSA-N 2 0 359.514 3.341 20 0 FGADRP COc1cccc2c(C[NH+]3CCN(C[C@@H]4CCCC[N@@H+]4C)CC3)cccc12 ZINC000449024247 500901242 /nfs/dbraw/zinc/90/12/42/500901242.db2.gz ZOWIRSRORQKCGG-FQEVSTJZSA-N 2 0 367.537 3.450 20 0 FGADRP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]CCc2cccc(C(N)=O)c2)CC1 ZINC000449059892 500914750 /nfs/dbraw/zinc/91/47/50/500914750.db2.gz RBWXWHZMSDATFA-SFHVURJKSA-N 2 0 365.521 3.013 20 0 FGADRP C[C@@H]1C[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)C[N@@H+]1Cc1ccccc1 ZINC000439789880 500939136 /nfs/dbraw/zinc/93/91/36/500939136.db2.gz RWNJGMSJDZMMRA-SLYNCCJLSA-N 2 0 355.526 3.173 20 0 FGADRP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+]CCC2CCS(=O)(=O)CC2)CC1 ZINC000449212166 500949453 /nfs/dbraw/zinc/94/94/53/500949453.db2.gz IUTJYLYTSJLJRJ-UHFFFAOYSA-N 2 0 372.619 3.470 20 0 FGADRP Cc1cccc(C[NH2+]Cc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)c1F ZINC000449225057 500951878 /nfs/dbraw/zinc/95/18/78/500951878.db2.gz NEVQWWZMTCRMPS-UHFFFAOYSA-N 2 0 369.484 3.250 20 0 FGADRP C[C@@H](C[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1)c1cc(F)cc(F)c1 ZINC000449240221 500955551 /nfs/dbraw/zinc/95/55/51/500955551.db2.gz YKRCWYSEACNFIL-KRWDZBQOSA-N 2 0 365.512 3.418 20 0 FGADRP CC[NH+](CC)CCOc1ccc(C(=O)NCC2CC[NH+](C3CC3)CC2)cc1 ZINC000445216472 500955609 /nfs/dbraw/zinc/95/56/09/500955609.db2.gz OGXNFAHJKVSRHZ-UHFFFAOYSA-N 2 0 373.541 3.011 20 0 FGADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1cnc(-c2ccccc2F)s1 ZINC000449251389 500957714 /nfs/dbraw/zinc/95/77/14/500957714.db2.gz RNHMMWJWERSFRU-OAHLLOKOSA-N 2 0 362.518 3.065 20 0 FGADRP COc1cccc(-c2nn(C(C)(C)C)cc2C[N@@H+]2C[C@@H](C[NH3+])C[C@H]2C)c1 ZINC000435375226 500962298 /nfs/dbraw/zinc/96/22/98/500962298.db2.gz UHBXPMCCKBKREK-HZPDHXFCSA-N 2 0 356.514 3.483 20 0 FGADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3cn(-c4ccccc4)nc3-c3cccnc3)C[C@H]21 ZINC000435383897 500964311 /nfs/dbraw/zinc/96/43/11/500964311.db2.gz JUWFIWIUEJMKBC-VLCRHTCISA-N 2 0 373.504 3.494 20 0 FGADRP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](Cc2cn(-c3ccccc3)nc2-c2cccnc2)C1 ZINC000435386077 500965417 /nfs/dbraw/zinc/96/54/17/500965417.db2.gz SKRWSBRUNXPBAJ-IEBWSBKVSA-N 2 0 361.493 3.494 20 0 FGADRP Cc1cccn2cc(COc3ccc(C[N@@H+](C)C4CC[NH2+]CC4)cc3)nc12 ZINC000435386914 500966168 /nfs/dbraw/zinc/96/61/68/500966168.db2.gz WDMLQFABHYRRGG-UHFFFAOYSA-N 2 0 364.493 3.406 20 0 FGADRP [NH3+]CC1CC[NH+](Cc2cn(Cc3ccccc3)nc2-c2cccnc2)CC1 ZINC000435397876 500968183 /nfs/dbraw/zinc/96/81/83/500968183.db2.gz LJDMOEDKBBAHKX-UHFFFAOYSA-N 2 0 361.493 3.164 20 0 FGADRP Cc1ncsc1C[N@H+](C[C@H](C)CC1CCOCC1)C[C@@H]1CC[NH2+]C1 ZINC000435449753 500980146 /nfs/dbraw/zinc/98/01/46/500980146.db2.gz VTOKXHKOJGXVFU-CRAIPNDOSA-N 2 0 351.560 3.316 20 0 FGADRP COc1ncccc1CC[NH2+]C1CC[NH+]([C@H](C)Cc2ccccc2)CC1 ZINC000449336468 500981503 /nfs/dbraw/zinc/98/15/03/500981503.db2.gz NQARYFFOSIJIIL-GOSISDBHSA-N 2 0 353.510 3.318 20 0 FGADRP CCOc1ccc([C@H]2CCCN2C(=O)CN(CC)[C@@H]2CCC[NH2+]CC2)cc1 ZINC000435629179 501004712 /nfs/dbraw/zinc/00/47/12/501004712.db2.gz WXOIRSQNKJLKDG-TZIWHRDSSA-N 2 0 373.541 3.213 20 0 FGADRP COc1ccc(-c2nc(CN(C)[C@@H]3CCC[NH2+]CC3)cs2)c(OC)c1 ZINC000435628348 501004781 /nfs/dbraw/zinc/00/47/81/501004781.db2.gz USYNZJQVAJACKD-OAHLLOKOSA-N 2 0 361.511 3.401 20 0 FGADRP Cc1ncsc1CN(CCCOc1ccc(F)cc1)C[C@H]1CC[NH2+]C1 ZINC000435738292 501021305 /nfs/dbraw/zinc/02/13/05/501021305.db2.gz QKPIOBFLSQLLCM-INIZCTEOSA-N 2 0 363.502 3.471 20 0 FGADRP COc1ccc(C[NH2+]C(C)(C)CCC[NH+](C)C)c(Br)c1O ZINC000449529406 501026296 /nfs/dbraw/zinc/02/62/96/501026296.db2.gz WVTWWGZZFXTPLV-UHFFFAOYSA-N 2 0 359.308 3.373 20 0 FGADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)NCC2([NH+](C)C)CCC2)cc1 ZINC000445842809 501039741 /nfs/dbraw/zinc/03/97/41/501039741.db2.gz MWNMHWFAGLOWAY-SFHVURJKSA-N 2 0 372.557 3.345 20 0 FGADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@H]2CCO[C@H](c3ccnn3C)C2)CC1 ZINC000449597378 501041345 /nfs/dbraw/zinc/04/13/45/501041345.db2.gz ZAHFJNXIZSXHQZ-SAJDGTNDSA-N 2 0 360.546 3.273 20 0 FGADRP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N[C@H]1CC[NH+](Cc2ccccc2)CC1(C)C ZINC000582459174 506232921 /nfs/dbraw/zinc/23/29/21/506232921.db2.gz CCXOVOSCEUGFEE-QUCCMNQESA-N 2 0 374.573 3.315 20 0 FGADRP C[NH+](C)CCOc1cccc(NC(=O)NCCC[NH2+]C2CCCCC2)c1 ZINC000611623414 506233683 /nfs/dbraw/zinc/23/36/83/506233683.db2.gz MGQLTAFIUMPTQA-UHFFFAOYSA-N 2 0 362.518 3.061 20 0 FGADRP C[NH+]1CCC(C[NH2+]Cc2c[nH]nc2-c2ccsc2)(N2CCCCC2)CC1 ZINC000436256077 501096410 /nfs/dbraw/zinc/09/64/10/501096410.db2.gz ZXEJHYRMAHQNSD-UHFFFAOYSA-N 2 0 373.570 3.178 20 0 FGADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@H]2CC[C@@H](C(=O)N3CCCC3)C2)CC1 ZINC000436305344 501104540 /nfs/dbraw/zinc/10/45/40/501104540.db2.gz GEHHFXBGTBUOQW-QCFAMHMHSA-N 2 0 361.574 3.410 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccc(C(C)C)cc1O ZINC000436535018 501150433 /nfs/dbraw/zinc/15/04/33/501150433.db2.gz MJYNZCOZNJAAAN-GOSISDBHSA-N 2 0 361.530 3.004 20 0 FGADRP Cc1ccc([C@@H](CCn2cncn2)[NH2+]C[C@H](C)C[NH+]2CCCCC2)cc1 ZINC000446743285 501159936 /nfs/dbraw/zinc/15/99/36/501159936.db2.gz DOWHTQPNHQGORJ-PZJWPPBQSA-N 2 0 355.530 3.430 20 0 FGADRP COc1ccc([C@H](CCn2cncn2)[NH2+]C[C@@H](C)C[NH+]2CCCCC2)cc1 ZINC000446744687 501160305 /nfs/dbraw/zinc/16/03/05/501160305.db2.gz KFPURUJPKSSHAC-NQIIRXRSSA-N 2 0 371.529 3.130 20 0 FGADRP COc1ccc([C@@H](CCn2cncn2)[NH2+]C2CC[NH+](CC(C)C)CC2)cc1 ZINC000446749753 501160943 /nfs/dbraw/zinc/16/09/43/501160943.db2.gz BZNMTYYWNSZRAZ-OAQYLSRUSA-N 2 0 371.529 3.128 20 0 FGADRP C[C@@]1(O)CCC[N@H+](Cc2cc(Cl)cc(C[NH+]3CCC[C@](C)(O)C3)c2)C1 ZINC000450646908 501175363 /nfs/dbraw/zinc/17/53/63/501175363.db2.gz AMABJBQYIYCKST-BGYRXZFFSA-N 2 0 366.933 3.034 20 0 FGADRP CC[NH+](CC)CCCNC(=O)C1CC[NH+](C[C@@H]2CCCCC2(F)F)CC1 ZINC000450264500 501221762 /nfs/dbraw/zinc/22/17/62/501221762.db2.gz FWCPKBIXSBZUJT-SFHVURJKSA-N 2 0 373.532 3.372 20 0 FGADRP CCn1ccnc1[C@H](C)[NH2+]CCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000453088269 501266527 /nfs/dbraw/zinc/26/65/27/501266527.db2.gz WKTIQYHNNOZIID-IBGZPJMESA-N 2 0 355.530 3.156 20 0 FGADRP COc1ccc(C[NH+]2CCC(C[NH2+][C@H](Cn3cccn3)C(C)C)CC2)cc1 ZINC000453091407 501267025 /nfs/dbraw/zinc/26/70/25/501267025.db2.gz QAWCIINSAKLFPF-JOCHJYFZSA-N 2 0 370.541 3.418 20 0 FGADRP C[N@@H+]1CCCN(CCC[NH2+]C2CC[NH+](C(C)(C)CC(C)(C)C)CC2)CC1 ZINC000453100525 501268937 /nfs/dbraw/zinc/26/89/37/501268937.db2.gz MILPSCLCJGWJAI-UHFFFAOYSA-N 3 0 366.638 3.283 20 0 FGADRP c1ccc(C[N@H+]2CC[C@H]([NH2+]CCCOC[C@@H]3CCOC3)[C@@H]3CCC[C@H]32)cc1 ZINC000453120980 501273256 /nfs/dbraw/zinc/27/32/56/501273256.db2.gz KMOFODZGVSRKCS-CWBXHPNXSA-N 2 0 372.553 3.462 20 0 FGADRP c1[nH]nc2c1CC[C@@H]([NH2+][C@H]1CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@H]31)C2 ZINC000453125830 501274060 /nfs/dbraw/zinc/27/40/60/501274060.db2.gz ATDIQHFTPADGAR-AQCRLBJHSA-N 2 0 350.510 3.300 20 0 FGADRP CC[C@H](CC(F)F)C(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC000457670607 501283094 /nfs/dbraw/zinc/28/30/94/501283094.db2.gz NMORBYAUCRIERJ-NJAFHUGGSA-N 2 0 373.532 3.463 20 0 FGADRP CC[NH+](CC)Cc1cccc(CNC(=O)N2CC[C@@]3(C2)CCC[N@H+](C)C3)c1 ZINC000457678959 501285157 /nfs/dbraw/zinc/28/51/57/501285157.db2.gz USCNSALWVVCEEF-QFIPXVFZSA-N 2 0 372.557 3.156 20 0 FGADRP CCNC(=O)C(C)(C)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000453178074 501285890 /nfs/dbraw/zinc/28/58/90/501285890.db2.gz URUZUXPHMPPWKI-AQNXPRMDSA-N 2 0 357.542 3.182 20 0 FGADRP C[C@@H](CCCc1cccnc1)[NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000453197000 501289428 /nfs/dbraw/zinc/28/94/28/501289428.db2.gz MPKROEZHZMFDEU-PGRDOPGGSA-N 2 0 353.510 3.149 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H](O)Cc1cccc(F)c1 ZINC000453230450 501294762 /nfs/dbraw/zinc/29/47/62/501294762.db2.gz DZDGYIINSIXMAG-VOQZNFBZSA-N 2 0 356.485 3.229 20 0 FGADRP COC[C@](C)(O)CC[NH2+][C@@H]1CCCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000453250325 501299219 /nfs/dbraw/zinc/29/92/19/501299219.db2.gz HCZURQDIIOKPCM-CIAFKFPVSA-N 2 0 360.542 3.054 20 0 FGADRP C[C@H]([NH2+]C[C@H]1CCCCN1CCO)c1ccc(Br)cc1F ZINC000453278841 501307043 /nfs/dbraw/zinc/30/70/43/501307043.db2.gz ZLACRVZZZJRCOF-GXTWGEPZSA-N 2 0 359.283 3.086 20 0 FGADRP Cc1cc(C)c(NC(=O)NCc2cccc(OCC[NH+](C)C)c2)c(C)n1 ZINC000455472879 501312650 /nfs/dbraw/zinc/31/26/50/501312650.db2.gz JBKGCAPQOWVPOD-UHFFFAOYSA-N 2 0 356.470 3.269 20 0 FGADRP CC[NH+]1CCN(CCCC[NH2+]Cc2sc(C)cc2Br)CC1 ZINC000453579618 501352909 /nfs/dbraw/zinc/35/29/09/501352909.db2.gz JTYBNJCURAVBGR-UHFFFAOYSA-N 2 0 374.392 3.326 20 0 FGADRP CC1(C)COC[C@@H]1[NH2+]Cc1cc(Cl)cc(C[NH2+][C@H]2COCC2(C)C)c1 ZINC000451807196 501376426 /nfs/dbraw/zinc/37/64/26/501376426.db2.gz APMUNFAOROCYTQ-ROUUACIJSA-N 2 0 366.933 3.369 20 0 FGADRP C[NH+](C)[C@H]1CCc2cc(NC(=O)NC[C@H]3[N@H+](C)CCCC3(C)C)ccc21 ZINC000455863801 501402084 /nfs/dbraw/zinc/40/20/84/501402084.db2.gz SIJIVVSVHNHVOQ-RBUKOAKNSA-N 2 0 358.530 3.477 20 0 FGADRP C[C@@H]1C[C@@H](NC(=O)NC(C)(C)CCC[NH+](C)C)C[N@@H+]1Cc1ccccc1 ZINC000458575546 501478337 /nfs/dbraw/zinc/47/83/37/501478337.db2.gz XVJXSSODRJRUEB-IEBWSBKVSA-N 2 0 360.546 3.069 20 0 FGADRP CCOc1cc(C[NH2+]CC2(SC)CC[NH+](C)CC2)c(F)cc1OC ZINC000598974920 506256020 /nfs/dbraw/zinc/25/60/20/506256020.db2.gz SXQYTGZYKNLZSO-UHFFFAOYSA-N 2 0 356.507 3.150 20 0 FGADRP C[C@H](NC(=O)NC(C)(C)CCC[NH+](C)C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000458625449 501492522 /nfs/dbraw/zinc/49/25/22/501492522.db2.gz DYRWRWVZZQPRIU-DLBZAZTESA-N 2 0 352.567 3.059 20 0 FGADRP C[NH+](C)CCCC(C)(C)NC(=O)NC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000458677759 501505669 /nfs/dbraw/zinc/50/56/69/501505669.db2.gz VZNURQACKAJGOM-JOCHJYFZSA-N 2 0 374.573 3.461 20 0 FGADRP Cc1ccccc1[C@H]([C@H](C)NC(=O)N1CC[N@@H+](C2CC2)C[C@H](C)C1)[NH+](C)C ZINC000458763185 501525569 /nfs/dbraw/zinc/52/55/69/501525569.db2.gz IIQOAELESJXOOA-MDKPJZGXSA-N 2 0 372.557 3.112 20 0 FGADRP CCC[NH+]1CCC(N(C)C(=O)N[C@@H](CC(C)C)C[NH+]2CCCC2)CC1 ZINC000458938271 501562309 /nfs/dbraw/zinc/56/23/09/501562309.db2.gz PDMPBHJTXCUVEI-SFHVURJKSA-N 2 0 352.567 3.013 20 0 FGADRP C[N@@H+]1CCC[C@H]1C(=O)N1CC(C)(C)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000452845176 501573027 /nfs/dbraw/zinc/57/30/27/501573027.db2.gz LAZLRKBMDYPTMG-SFTDATJTSA-N 2 0 369.553 3.230 20 0 FGADRP CCOc1cc(C[NH+]2CCC(C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)ccc1O ZINC000459329959 501632136 /nfs/dbraw/zinc/63/21/36/501632136.db2.gz RYMJXRBBLGPZPN-IRXDYDNUSA-N 2 0 362.514 3.112 20 0 FGADRP COC(=O)CC[C@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1ccccc1 ZINC000459395492 501646260 /nfs/dbraw/zinc/64/62/60/501646260.db2.gz BENGXYTVGPHBJO-FQEVSTJZSA-N 2 0 353.466 3.335 20 0 FGADRP OCCOCC[N@@H+]1CCCCC[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000459525399 501669702 /nfs/dbraw/zinc/66/97/02/501669702.db2.gz MXPZQUHGIZNQFB-QFIPXVFZSA-N 2 0 360.542 3.152 20 0 FGADRP Cc1cc(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)cc(N2CCCC2)n1 ZINC000459556631 501675933 /nfs/dbraw/zinc/67/59/33/501675933.db2.gz BVEZMDKEHUKBLX-UHFFFAOYSA-N 2 0 351.498 3.144 20 0 FGADRP CCCC[NH+]1CCC(NC(=O)N[C@@H](CC(C)C)C[NH+]2CCCC2)CC1 ZINC000455187236 501703973 /nfs/dbraw/zinc/70/39/73/501703973.db2.gz IHONDBDGHQFIQD-IBGZPJMESA-N 2 0 352.567 3.061 20 0 FGADRP CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)Nc1ccccc1CC[NH+](C)C ZINC000455231372 501712655 /nfs/dbraw/zinc/71/26/55/501712655.db2.gz REDFWASQQSZWSF-IBGZPJMESA-N 2 0 360.546 3.423 20 0 FGADRP CC[NH+](CC)Cc1ccc(CNC(=O)N2CC[C@]3(C2)CCC[N@H+](C)C3)cc1 ZINC000457529638 501717141 /nfs/dbraw/zinc/71/71/41/501717141.db2.gz PUMTYOROGYSFEH-JOCHJYFZSA-N 2 0 372.557 3.156 20 0 FGADRP CCCC[N@H+](C)C[C@H](C)NC(=O)N[C@@H]1CC[NH+]([C@H](C)c2ccccc2)C1 ZINC000460107359 501726958 /nfs/dbraw/zinc/72/69/58/501726958.db2.gz IKJZPPMTXQEDCY-NLWGTHIKSA-N 2 0 360.546 3.242 20 0 FGADRP CC(C)CC[NH+]1CCC(CNC(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC000460132448 501734297 /nfs/dbraw/zinc/73/42/97/501734297.db2.gz SNQRGDAFTAECAA-UHFFFAOYSA-N 2 0 351.579 3.373 20 0 FGADRP CO[C@@H]1C[NH+](Cc2ccc(C[N@@H+]3CC[C@H](C)[C@H](OC)C3)cc2)CC[C@@H]1C ZINC000467286944 501759097 /nfs/dbraw/zinc/75/90/97/501759097.db2.gz BSMQKIQQPONZMW-MOXQZVSFSA-N 2 0 360.542 3.400 20 0 FGADRP CCCN(CCC[NH+](C)C)C(=O)c1ccc(N2CC[NH+](C(C)C)CC2)cc1 ZINC000470664248 501759481 /nfs/dbraw/zinc/75/94/81/501759481.db2.gz WJYBUMUJMBCLLG-UHFFFAOYSA-N 2 0 374.573 3.021 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C2CC(OCc3ccccc3)C2)[C@H](C)C1 ZINC000463572084 501765647 /nfs/dbraw/zinc/76/56/47/501765647.db2.gz XFFZWWUWNHZZGB-QBKZBJQZSA-N 2 0 360.542 3.461 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1CCCNC(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000611718122 506272223 /nfs/dbraw/zinc/27/22/23/506272223.db2.gz XEFVOUHGPFWGMK-GOSISDBHSA-N 2 0 352.567 3.205 20 0 FGADRP Cc1nn(C(C)C)cc1C[NH+]1CCC(CC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000467456363 501799099 /nfs/dbraw/zinc/79/90/99/501799099.db2.gz JWVDDELBJROHKS-ROUUACIJSA-N 2 0 362.562 3.484 20 0 FGADRP C[C@@H]1CC[C@H]([NH2+]Cc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)C[C@@H]1C ZINC000463736997 501806428 /nfs/dbraw/zinc/80/64/28/501806428.db2.gz XOCAXFYBSWAJGJ-SEONNTABSA-N 2 0 357.542 3.298 20 0 FGADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]C[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000481554678 501813439 /nfs/dbraw/zinc/81/34/39/501813439.db2.gz BFGZHXIXCFVAOI-RVKKMQEKSA-N 2 0 366.347 3.205 20 0 FGADRP CCOc1ccccc1NC(=O)CC[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000485425749 501817789 /nfs/dbraw/zinc/81/77/89/501817789.db2.gz IWOSAGCGKLODNA-SFHVURJKSA-N 2 0 359.514 3.078 20 0 FGADRP CC(C)C[NH+]1CCC(NC(=O)N[C@@H](C)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000477884924 501819437 /nfs/dbraw/zinc/81/94/37/501819437.db2.gz VEOUVWFMNUDFOQ-PXNSSMCTSA-N 2 0 360.546 3.097 20 0 FGADRP CC(C)(C)NC(=O)C[NH+]1CCC(C[NH2+][C@@H](c2cccnc2)C2CCC2)CC1 ZINC000481645914 501840255 /nfs/dbraw/zinc/84/02/55/501840255.db2.gz XCSWEUHUSFKYLR-OAQYLSRUSA-N 2 0 372.557 3.139 20 0 FGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H](C)c2nc(C(F)(F)F)cs2)CC1 ZINC000467747519 501859007 /nfs/dbraw/zinc/85/90/07/501859007.db2.gz UALSFEBIQGGNMJ-OLZOCXBDSA-N 2 0 364.481 3.086 20 0 FGADRP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](CCC(=O)N[C@H]2CCCc3ccccc32)C1 ZINC000470980384 501881348 /nfs/dbraw/zinc/88/13/48/501881348.db2.gz XYUTXHSTCPKDMJ-UGKGYDQZSA-N 2 0 369.553 3.234 20 0 FGADRP CCOC[C@@H]1CCC[C@@H]1[NH2+]CCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000474602908 501890444 /nfs/dbraw/zinc/89/04/44/501890444.db2.gz UJOIIQBXXCQKGQ-UNMCSNQZSA-N 2 0 359.558 3.384 20 0 FGADRP C[C@@H](Cc1ccccc1C(F)(F)F)[NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000481904012 501914258 /nfs/dbraw/zinc/91/42/58/501914258.db2.gz JMPAEEXDOGUDTG-DOTOQJQBSA-N 2 0 358.448 3.319 20 0 FGADRP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000474707713 501928913 /nfs/dbraw/zinc/92/89/13/501928913.db2.gz DJNSIDTZIJEDEF-LJISPDSOSA-N 2 0 369.962 3.071 20 0 FGADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)N(CC[NH+](C)C)C2CCCC2)C1 ZINC000468048126 501940120 /nfs/dbraw/zinc/94/01/20/501940120.db2.gz DYGIRSFIZLIXTO-ICSRJNTNSA-N 2 0 372.557 3.338 20 0 FGADRP O=C(Nc1ccc(C[NH+]2CCCCCC2)cc1)c1cc([C@@H]2CC[NH2+]C2)[nH]n1 ZINC000485816970 501949338 /nfs/dbraw/zinc/94/93/38/501949338.db2.gz UBUXHDLZGJBGHN-QGZVFWFLSA-N 2 0 367.497 3.115 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@@H](C)c1cccc(Cl)c1 ZINC000460917060 501958953 /nfs/dbraw/zinc/95/89/53/501958953.db2.gz ZNNWGWHTAXLSJI-QFBILLFUSA-N 2 0 365.949 3.318 20 0 FGADRP CC(C)[NH+]1CCC(N(C)C(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2)CC1 ZINC000468180674 501979854 /nfs/dbraw/zinc/97/98/54/501979854.db2.gz ZCPHXYHDFSACQA-NRFANRHFSA-N 2 0 357.542 3.372 20 0 FGADRP CC[NH+]1CCN(c2ccc(C(=O)Nc3ccc(C[NH+](C)C)cc3)cc2)CC1 ZINC000468188598 501982051 /nfs/dbraw/zinc/98/20/51/501982051.db2.gz XKZCYIITJQNYQL-UHFFFAOYSA-N 2 0 366.509 3.142 20 0 FGADRP Cc1ccc2c(c1)[C@@H]([NH2+]CCCN1CCN(c3cc[nH+]cc3)CC1)CC2 ZINC000482124115 501982516 /nfs/dbraw/zinc/98/25/16/501982516.db2.gz UIUYLGSBZIFJSA-QFIPXVFZSA-N 2 0 350.510 3.179 20 0 FGADRP [NH3+]C[C@@H](Cc1ccccc1)[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1cccnc1 ZINC000478513526 502005506 /nfs/dbraw/zinc/00/55/06/502005506.db2.gz BZRBJHNWDPWXKA-CTNGQTDRSA-N 2 0 366.509 3.082 20 0 FGADRP CCN(C(=O)NCC1([NH+](C)C)CCCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475034248 502029315 /nfs/dbraw/zinc/02/93/15/502029315.db2.gz VHWBFVAMPMDFRK-HXUWFJFHSA-N 2 0 372.557 3.167 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cccc2ccsc21 ZINC000464656262 502056315 /nfs/dbraw/zinc/05/63/15/502056315.db2.gz LXANKFWOXCOKIB-QGZVFWFLSA-N 2 0 359.539 3.389 20 0 FGADRP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000475121750 502067194 /nfs/dbraw/zinc/06/71/94/502067194.db2.gz SELQKLAJHMHOIN-HDICACEKSA-N 2 0 364.578 3.346 20 0 FGADRP Cc1ccc([C@@H](C)[NH2+]CCCC[NH+]2CCN(c3ncccn3)CC2)cc1C ZINC000482447638 502069797 /nfs/dbraw/zinc/06/97/97/502069797.db2.gz DVLZOVYWSODUFZ-HXUWFJFHSA-N 2 0 367.541 3.346 20 0 FGADRP Cc1ccccc1[C@H](C)[NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000482452139 502072212 /nfs/dbraw/zinc/07/22/12/502072212.db2.gz ACTRHVPIVAXUMQ-IBGZPJMESA-N 2 0 353.514 3.038 20 0 FGADRP C[C@H](CCCCN1C(=O)c2ccccc2C1=O)[NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000471594215 502079481 /nfs/dbraw/zinc/07/94/81/502079481.db2.gz CBLRIDJMZPRBQL-KURKYZTESA-N 2 0 371.525 3.304 20 0 FGADRP COC[C@@H]([NH2+][C@@H](C)CCN1CC[NH+](C)CC1)c1cccc(C(F)(F)F)c1 ZINC000471600063 502081688 /nfs/dbraw/zinc/08/16/88/502081688.db2.gz ZCBVGRWTPQNDTD-MAUKXSAKSA-N 2 0 373.463 3.009 20 0 FGADRP CC(C)c1ccc(NC(=O)C[C@@H](C)[NH2+][C@H](C)CCN2CC[NH+](C)CC2)cc1 ZINC000471613788 502087523 /nfs/dbraw/zinc/08/75/23/502087523.db2.gz YKPUUBUTZRGGQM-RTBURBONSA-N 2 0 374.573 3.143 20 0 FGADRP CCC[NH+]1CCN(c2ccccc2C[N@@H+]2C[C@@H](C)O[C@H](C3CC3)C2)CC1 ZINC000475269894 502112234 /nfs/dbraw/zinc/11/22/34/502112234.db2.gz NVTQSTUVJKZUGK-GCJKJVERSA-N 2 0 357.542 3.218 20 0 FGADRP C[NH+](C)CCN(CC1CCCCC1)C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000475373662 502152940 /nfs/dbraw/zinc/15/29/40/502152940.db2.gz YPLLAWFQAUBXLO-UHFFFAOYSA-N 2 0 364.578 3.157 20 0 FGADRP OC[C@H]1CCC[N@@H+]1CCCC[NH2+][C@@H]1CCCc2nn(-c3ccccc3)cc21 ZINC000479071689 502155072 /nfs/dbraw/zinc/15/50/72/502155072.db2.gz SYANPPBZVLVRJW-TZIWHRDSSA-N 2 0 368.525 3.076 20 0 FGADRP CC[NH+]1CCN(c2ccc(NC(=O)[C@@H](C)[NH2+]C(C)(C)CC)c(C)c2)CC1 ZINC000475401495 502161557 /nfs/dbraw/zinc/16/15/57/502161557.db2.gz WQYNXWIGDGFIHY-QGZVFWFLSA-N 2 0 360.546 3.242 20 0 FGADRP C[C@H](C[NH+]1CCCCCC1)NC(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000482740273 502166818 /nfs/dbraw/zinc/16/68/18/502166818.db2.gz IDHDCJZUXIOPQE-RTBURBONSA-N 2 0 352.567 3.062 20 0 FGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]C[C@H](O)CCC(C)C)CC1 ZINC000482813199 502186830 /nfs/dbraw/zinc/18/68/30/502186830.db2.gz STRWUEWTIOPGJL-IEBWSBKVSA-N 2 0 365.537 3.415 20 0 FGADRP C[C@H]([NH2+]Cc1ccc([S@](C)=O)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000486557883 502189550 /nfs/dbraw/zinc/18/95/50/502189550.db2.gz AAUVKPMNHLEJIA-OYRDERLMSA-N 2 0 356.535 3.424 20 0 FGADRP CCCC[N@H+](C)C[C@H](C)NC(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000461804704 502208879 /nfs/dbraw/zinc/20/88/79/502208879.db2.gz YJEYODYBDVFKGC-IBGZPJMESA-N 2 0 374.573 3.413 20 0 FGADRP Cc1ccc(NC(=O)CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)nc1 ZINC000482943913 502223397 /nfs/dbraw/zinc/22/33/97/502223397.db2.gz FXEDMXGCOFUTGC-UYAOXDASSA-N 2 0 366.509 3.219 20 0 FGADRP CCN(CCC[NH+](CC)CC)C(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000472082569 502224253 /nfs/dbraw/zinc/22/42/53/502224253.db2.gz INLGBYFUWWXJQU-IBGZPJMESA-N 2 0 352.567 3.014 20 0 FGADRP C[C@H](CNC(=O)N[C@H](C)[C@H](c1ccccc1)[NH+](C)C)[N@@H+]1CCC[C@@H](C)C1 ZINC000479395517 502246100 /nfs/dbraw/zinc/24/61/00/502246100.db2.gz UTIFXVWPRKQQLX-SOAMZJECSA-N 2 0 360.546 3.097 20 0 FGADRP CCc1ccc([C@@H](CNC(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)[NH+](C)C)cc1 ZINC000465431614 502259183 /nfs/dbraw/zinc/25/91/83/502259183.db2.gz KKWJZMHEXUYPIZ-NHCUHLMSSA-N 2 0 374.573 3.368 20 0 FGADRP CCc1ccc([C@@H](CNC(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)[NH+](C)C)cc1 ZINC000465431613 502259231 /nfs/dbraw/zinc/25/92/31/502259231.db2.gz KKWJZMHEXUYPIZ-LEWJYISDSA-N 2 0 374.573 3.368 20 0 FGADRP CCCC[N@H+](C)C[C@@H](C)NC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000462004461 502270438 /nfs/dbraw/zinc/27/04/38/502270438.db2.gz CZXAVGGQRVWCGM-UXHICEINSA-N 2 0 366.594 3.404 20 0 FGADRP CC(C)[N@@H+](C)C[C@H](C)NC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000462009951 502272503 /nfs/dbraw/zinc/27/25/03/502272503.db2.gz MJCBMKMDAFAHFE-RBUKOAKNSA-N 2 0 352.567 3.013 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H](NC[C@@H]2CCC[NH+]2Cc2ccccc2)[C@@H](C)C1 ZINC000483118232 502279193 /nfs/dbraw/zinc/27/91/93/502279193.db2.gz KIJZVHMMSBSZLD-PMVMPFDFSA-N 2 0 373.585 3.378 20 0 FGADRP Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC000469064718 502283116 /nfs/dbraw/zinc/28/31/16/502283116.db2.gz PLLIGTXJQKKJTF-IRXDYDNUSA-N 2 0 361.555 3.355 20 0 FGADRP C[NH+](C)CCNC(=O)c1cccc(C[NH2+][C@@H]2CCc3ccc(Cl)cc32)c1 ZINC000479529694 502287614 /nfs/dbraw/zinc/28/76/14/502287614.db2.gz QFFUXCUAXXVZNJ-HXUWFJFHSA-N 2 0 371.912 3.409 20 0 FGADRP CC1=CCC[C@H](C)[C@@H]1C[NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000479538329 502289236 /nfs/dbraw/zinc/28/92/36/502289236.db2.gz BRBWGYDREWUNOZ-VLCRHTCISA-N 2 0 369.553 3.466 20 0 FGADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2ccc(-n3nc(C)cc3C)cc2)C1 ZINC000472266916 502290463 /nfs/dbraw/zinc/29/04/63/502290463.db2.gz YCJASORBXIRBQK-JOCHJYFZSA-N 2 0 370.541 3.422 20 0 FGADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000465532770 502293185 /nfs/dbraw/zinc/29/31/85/502293185.db2.gz GYGLQQWNSGKHDT-PMACEKPBSA-N 2 0 372.557 3.167 20 0 FGADRP CC[NH+](CC)CCO[C@@H]1CCN([C@@H](C)C(=O)Nc2cc(C)cc(C)c2)C1 ZINC000472281533 502296495 /nfs/dbraw/zinc/29/64/95/502296495.db2.gz UHNBYDUIPPNAGE-AZUAARDMSA-N 2 0 361.530 3.063 20 0 FGADRP C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N[C@H]2CC[NH+](C)[C@H](C)C2)C1 ZINC000465554252 502305095 /nfs/dbraw/zinc/30/50/95/502305095.db2.gz GIKPCPONOGSJCC-OPYAIIAOSA-N 2 0 372.557 3.200 20 0 FGADRP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NC[C@@H](CC(C)C)[NH+](CC)CC ZINC000465564654 502309079 /nfs/dbraw/zinc/30/90/79/502309079.db2.gz FVCOPFDVJLLUCE-GUDVDZBRSA-N 2 0 352.567 3.011 20 0 FGADRP C[NH+](C)Cc1ccccc1C(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000486935334 502309234 /nfs/dbraw/zinc/30/92/34/502309234.db2.gz IPEXBIVPDJYYPH-UHFFFAOYSA-N 2 0 357.542 3.476 20 0 FGADRP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)N[C@@H]1CC[NH+](CC2CCCC2)C1 ZINC000465608034 502324665 /nfs/dbraw/zinc/32/46/65/502324665.db2.gz UCPZVZBCQWIVLZ-AZUAARDMSA-N 2 0 364.578 3.205 20 0 FGADRP Cn1nnc2cc(C[N@@H+]3CCCC[C@@H]3[C@H](C[NH3+])Cc3ccccc3)ccc21 ZINC000472370012 502332861 /nfs/dbraw/zinc/33/28/61/502332861.db2.gz OXGNYOXJNWNDNB-PZJWPPBQSA-N 2 0 363.509 3.140 20 0 FGADRP CN(C)[C@H](C(=O)N1CCC[C@@H](Cc2nccn2C)C1)c1cccc(Cl)c1 ZINC000483269907 502334109 /nfs/dbraw/zinc/33/41/09/502334109.db2.gz OGVOJSPPQQIZJU-KXBFYZLASA-N 2 0 374.916 3.158 20 0 FGADRP CCN(CC[NH+]1CCCCCC1)C(=O)NCCCC[N@@H+]1CCC[C@H](C)C1 ZINC000479681526 502342656 /nfs/dbraw/zinc/34/26/56/502342656.db2.gz DOMGYASQYMRCHB-FQEVSTJZSA-N 2 0 366.594 3.406 20 0 FGADRP CC[NH+](CC)CCNC(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000475970391 502347380 /nfs/dbraw/zinc/34/73/80/502347380.db2.gz PHIPQLKTTUQGLF-QFIPXVFZSA-N 2 0 372.557 3.026 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](C)[C@@H](C)c1ccccc1 ZINC000476010602 502357164 /nfs/dbraw/zinc/35/71/64/502357164.db2.gz KGGBILDORSNZTE-SVFBPWRDSA-N 2 0 374.573 3.236 20 0 FGADRP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)c1oc2ccccc2c1C[NH+](C)C ZINC000469345760 502383561 /nfs/dbraw/zinc/38/35/61/502383561.db2.gz RDQVGAOFZANLOC-HZPDHXFCSA-N 2 0 357.498 3.487 20 0 FGADRP CC[C@@H](C)[N@H+](C)CCNC(=O)N(CC)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000465854867 502403713 /nfs/dbraw/zinc/40/37/13/502403713.db2.gz MYNHRBUILQHLGL-CTNGQTDRSA-N 2 0 374.573 3.270 20 0 FGADRP COc1ccc(Cl)c(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)c1 ZINC000483582190 502437276 /nfs/dbraw/zinc/43/72/76/502437276.db2.gz JNWWGBFYGIPKPN-UHFFFAOYSA-N 2 0 352.906 3.283 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NCc2cccc(C[NH+]3CCCC3)c2)C[C@H]1C ZINC000483683314 502462392 /nfs/dbraw/zinc/46/23/92/502462392.db2.gz KZVSKJIPYUEOES-NQIIRXRSSA-N 2 0 372.557 3.297 20 0 FGADRP CC[NH+](CC)CCN(Cc1cccs1)C(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000466038656 502462629 /nfs/dbraw/zinc/46/26/29/502462629.db2.gz KVUDQYVHOOWDSX-IRXDYDNUSA-N 2 0 366.575 3.084 20 0 FGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCCn2c(C)nc3ccccc32)[C@@H](C)C1 ZINC000480072960 502464782 /nfs/dbraw/zinc/46/47/82/502464782.db2.gz ZPZMUTRPXNUPBH-AZUAARDMSA-N 2 0 372.557 3.461 20 0 FGADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)NCCC[NH+](C)Cc2ccccc2)C[C@H]1C ZINC000483710897 502470761 /nfs/dbraw/zinc/47/07/61/502470761.db2.gz MJDFWXVBUMIUMA-UYAOXDASSA-N 2 0 360.546 3.023 20 0 FGADRP C[C@H]1CN(C(=O)NCC2([NH+](C)C)CCCCCC2)CC[N@@H+](C2CCC2)C1 ZINC000487547283 502475216 /nfs/dbraw/zinc/47/52/16/502475216.db2.gz FYVLHILQOJVNAG-GOSISDBHSA-N 2 0 364.578 3.157 20 0 FGADRP C[C@H](CCNC(=O)NCC1([NH+](C)C)CCCC1)[N@H+](C)Cc1ccccc1 ZINC000472933551 502475607 /nfs/dbraw/zinc/47/56/07/502475607.db2.gz YYSJYZDKEAGFRG-GOSISDBHSA-N 2 0 360.546 3.071 20 0 FGADRP CCC[NH+]1CCC(NC(=O)N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)CC1 ZINC000466090734 502476131 /nfs/dbraw/zinc/47/61/31/502476131.db2.gz IAWTUDZEIRFPIE-IBGZPJMESA-N 2 0 364.578 3.014 20 0 FGADRP CCN(C(=O)N[C@H](C)C[NH+](C)C(C)C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000462538053 502480380 /nfs/dbraw/zinc/48/03/80/502480380.db2.gz MSHNWHXSTQVOTM-QUCCMNQESA-N 2 0 360.546 3.021 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCCn2cnc3ccccc32)[C@@H](C)C1 ZINC000480147606 502483942 /nfs/dbraw/zinc/48/39/42/502483942.db2.gz QUXULYHOIYCHOG-OALUTQOASA-N 2 0 358.530 3.153 20 0 FGADRP C[C@@H]1CCN(C(=O)NCc2ccccc2C[N@@H+]2CCCC[C@@H]2C)C[C@H]1C[NH3+] ZINC000582595377 506317057 /nfs/dbraw/zinc/31/70/57/506317057.db2.gz ZTCPVUZUKPQNPJ-LVCYWYKZSA-N 2 0 372.557 3.187 20 0 FGADRP CCC[NH+]1CCC(CNC(=O)NCC[C@H](C)[N@H+](C)Cc2ccccc2)CC1 ZINC000473016204 502500542 /nfs/dbraw/zinc/50/05/42/502500542.db2.gz VPUVUYCZYLQBFZ-IBGZPJMESA-N 2 0 374.573 3.318 20 0 FGADRP C[C@H]([NH2+]CCN1CCc2ccccc2C1)c1cccc(OCC[NH+](C)C)c1 ZINC000480231703 502507883 /nfs/dbraw/zinc/50/78/83/502507883.db2.gz SQPYJHAKOUWJSR-IBGZPJMESA-N 2 0 367.537 3.336 20 0 FGADRP CC(C)C[C@H](C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)N1CCOCC1 ZINC000480266329 502518179 /nfs/dbraw/zinc/51/81/79/502518179.db2.gz OQJAHDOEHUREOS-MZYLBHOOSA-N 2 0 373.585 3.234 20 0 FGADRP CCC[C@@H]([NH2+]C(C)C)C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000473299679 502562019 /nfs/dbraw/zinc/56/20/19/502562019.db2.gz HVHBXFZGHJNAKX-GOSISDBHSA-N 2 0 351.560 3.243 20 0 FGADRP O=C(c1ccc(Nc2cc[nH+]cc2)cc1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000469851421 502568071 /nfs/dbraw/zinc/56/80/71/502568071.db2.gz IDWQAMKWDJQBHX-NRFANRHFSA-N 2 0 364.493 3.338 20 0 FGADRP Cc1nc(-c2cc([C@@H](C)[NH2+]CC3(O)CC[NH+](C)CC3)cs2)cs1 ZINC000484143533 502581893 /nfs/dbraw/zinc/58/18/93/502581893.db2.gz UFFZQQMVXYGQOZ-GFCCVEGCSA-N 2 0 351.541 3.287 20 0 FGADRP C[NH+]1CCC(C[NH2+][C@H]2CCCc3c(O)cccc32)(N2CCCCC2)CC1 ZINC000462816702 502585288 /nfs/dbraw/zinc/58/52/88/502585288.db2.gz RNTPMJLJTKQELL-FQEVSTJZSA-N 2 0 357.542 3.310 20 0 FGADRP CC(C)c1cc(NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)nc(N(C)C)[nH+]1 ZINC000462815931 502585768 /nfs/dbraw/zinc/58/57/68/502585768.db2.gz KQNXHLHYUSQCPU-IBGZPJMESA-N 2 0 367.541 3.064 20 0 FGADRP C[C@H](CC(C)(C)c1c[nH]c2ccccc21)[NH2+]CCCN1CC[NH+](C)CC1 ZINC000462882166 502611669 /nfs/dbraw/zinc/61/16/69/502611669.db2.gz RNFFYUDHQTYQFD-GOSISDBHSA-N 2 0 356.558 3.451 20 0 FGADRP CCC[N@H+](C)CC(=O)NC[C@H]1CCCCN1Cc1cccc(Cl)c1 ZINC000599111966 506326596 /nfs/dbraw/zinc/32/65/96/506326596.db2.gz PYONOCLKWLCXAS-GOSISDBHSA-N 2 0 351.922 3.153 20 0 FGADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)c1ccc(-n2cnnn2)cc1 ZINC000484307491 502620490 /nfs/dbraw/zinc/62/04/90/502620490.db2.gz LAFKBWHBDXWOAU-QRFRQXIXSA-N 2 0 356.518 3.214 20 0 FGADRP C[NH2+]CC1CC[NH+](Cc2cnn(-c3ccc(Br)cc3)c2)CC1 ZINC000470022528 502633354 /nfs/dbraw/zinc/63/33/54/502633354.db2.gz NIDAIAPRAVLKRW-UHFFFAOYSA-N 2 0 363.303 3.066 20 0 FGADRP CC[NH+]1CCC(CC[NH2+][C@H](C)[C@H](c2ccccc2)N2CCOCC2)CC1 ZINC000480686375 502642503 /nfs/dbraw/zinc/64/25/03/502642503.db2.gz ONDRDHNNQBSRGS-DENIHFKCSA-N 2 0 359.558 3.160 20 0 FGADRP O=C([C@H]1CC[N@@H+](C2CCCCC2)C1)N1CCC[NH+](Cc2ccccc2)CC1 ZINC000480788782 502672045 /nfs/dbraw/zinc/67/20/45/502672045.db2.gz JDUMPFGNYKHQSX-NRFANRHFSA-N 2 0 369.553 3.376 20 0 FGADRP CCC[N@H+](CC)C[C@H](C)NC(=O)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000463065656 502680830 /nfs/dbraw/zinc/68/08/30/502680830.db2.gz ZPHGNEBLGXMMNY-VQTJNVASSA-N 2 0 366.594 3.260 20 0 FGADRP CC(C)(C)[C@@H]1C[C@@H]([NH2+]CCCN2CCN(c3cc[nH+]cc3)CC2)CS1 ZINC000488415905 502708723 /nfs/dbraw/zinc/70/87/23/502708723.db2.gz JLQLNSIXLBZPGR-MJGOQNOKSA-N 2 0 362.587 3.104 20 0 FGADRP CC[NH+]1CCN(Cc2ccccc2C[NH2+][C@@H]2CS[C@@H](C(C)C)C2)CC1 ZINC000488416290 502709914 /nfs/dbraw/zinc/70/99/14/502709914.db2.gz QKOYXIYKLNJIOH-LEWJYISDSA-N 2 0 361.599 3.444 20 0 FGADRP CC[N@@H+]1CC[C@H]([NH2+][C@H]2CCN(c3cccc(OC(F)(F)F)c3)C2)[C@H](C)C1 ZINC000470243765 502714223 /nfs/dbraw/zinc/71/42/23/502714223.db2.gz PJDPPGLAYVAELC-VKJFTORMSA-N 2 0 371.447 3.484 20 0 FGADRP C[C@H](CNC(=O)N[C@H](C)[C@H](c1ccccc1)[NH+](C)C)[NH+]1CCC(C)CC1 ZINC000488444868 502715895 /nfs/dbraw/zinc/71/58/95/502715895.db2.gz XEGOLSZLTQNSKC-QWFCFKBJSA-N 2 0 360.546 3.097 20 0 FGADRP CC[C@H](C)[NH2+][C@H](CNC(=O)NC[C@@H](C)[NH+]1CCC(C)CC1)c1ccco1 ZINC000488455286 502718416 /nfs/dbraw/zinc/71/84/16/502718416.db2.gz COMTWOREGSVIHL-RCCFBDPRSA-N 2 0 364.534 3.128 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)NCCC[NH2+]C1CCCCC1 ZINC000463271122 502741852 /nfs/dbraw/zinc/74/18/52/502741852.db2.gz IOCFWVRHQKWTMA-NQIIRXRSSA-N 2 0 372.557 3.119 20 0 FGADRP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)C1 ZINC000477339584 502747373 /nfs/dbraw/zinc/74/73/73/502747373.db2.gz QTEMXKPTDDXOCM-RBUKOAKNSA-N 2 0 364.578 3.157 20 0 FGADRP CC[NH+](CC)[C@@H](C(=O)NCc1ccc(CC[NH+](C)C)cc1)c1ccccc1 ZINC000467071598 502779317 /nfs/dbraw/zinc/77/93/17/502779317.db2.gz VKPYWKQRXASKQG-JOCHJYFZSA-N 2 0 367.537 3.490 20 0 FGADRP CCN1CC[NH+](CCCC[NH2+][C@@H]2CC(C)(C)c3cc(OC)ccc32)CC1 ZINC000474024729 502782611 /nfs/dbraw/zinc/78/26/11/502782611.db2.gz QQRGTARVWLHTCE-OAQYLSRUSA-N 2 0 359.558 3.425 20 0 FGADRP C[C@H](NC(=O)NCC[N@@H+]1CCCC[C@H]1C)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000484974581 502790958 /nfs/dbraw/zinc/79/09/58/502790958.db2.gz SNJIQAINPFGLSB-SVFBPWRDSA-N 2 0 372.557 3.071 20 0 FGADRP CC(C)[NH+](CCCNC(=O)N[C@@H](C)C[NH+]1C[C@H](C)C[C@@H](C)C1)C(C)C ZINC000470485323 502792643 /nfs/dbraw/zinc/79/26/43/502792643.db2.gz YETVCQBGBLHFRW-QRVBRYPASA-N 2 0 354.583 3.161 20 0 FGADRP COc1ccccc1[C@@H](CNC(=O)C[NH+]1CCC(C)CC1)[NH+]1CCCCC1 ZINC000474063839 502796041 /nfs/dbraw/zinc/79/60/41/502796041.db2.gz HCDJIRSICNYDMP-HXUWFJFHSA-N 2 0 373.541 3.070 20 0 FGADRP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC000470531406 502806097 /nfs/dbraw/zinc/80/60/97/502806097.db2.gz VBWYSJYRKHVMNF-SFHLNBCPSA-N 2 0 357.542 3.230 20 0 FGADRP CCOc1ccccc1NC(=O)CC[NH+]1CCC(C[NH+](CC)CC)CC1 ZINC000485091489 502814505 /nfs/dbraw/zinc/81/45/05/502814505.db2.gz KGSWBSOOEQJLFY-UHFFFAOYSA-N 2 0 361.530 3.468 20 0 FGADRP CCN(C(=O)CC[C@@H]1CCCC[NH+]1C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000504909989 502822763 /nfs/dbraw/zinc/82/27/63/502822763.db2.gz VLTMFIVHERCXMT-SFTDATJTSA-N 2 0 357.542 3.374 20 0 FGADRP CC[N@H+](Cc1ccc(C(=O)N2C[C@@H](SC)[C@@H]([NH+](C)C)C2)cc1)C(C)C ZINC000495728414 502860786 /nfs/dbraw/zinc/86/07/86/502860786.db2.gz NSZKAQNTJWLOPW-RBUKOAKNSA-N 2 0 363.571 3.035 20 0 FGADRP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc(C[NH+](CC)C2CC2)cc1 ZINC000489058968 502870481 /nfs/dbraw/zinc/87/04/81/502870481.db2.gz GQEMEGMTDHIZHA-TZIWHRDSSA-N 2 0 355.526 3.370 20 0 FGADRP CN(C(=O)c1sccc1F)[C@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC000489148591 502888039 /nfs/dbraw/zinc/88/80/39/502888039.db2.gz PQGGAYQOFWLISQ-IRXDYDNUSA-N 2 0 367.534 3.296 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NCC[NH+](C)C1CCCC1 ZINC000489180984 502895116 /nfs/dbraw/zinc/89/51/16/502895116.db2.gz HDHYSQNELLOVOY-NQIIRXRSSA-N 2 0 372.557 3.071 20 0 FGADRP CCc1ccc([C@H]2CCC[N@H+](CC(=O)NC3CC[NH+](C(C)C)CC3)C2)cc1 ZINC000513392168 502924217 /nfs/dbraw/zinc/92/42/17/502924217.db2.gz MHPFZIVVOUAGPX-NRFANRHFSA-N 2 0 371.569 3.417 20 0 FGADRP C[C@H](NC(=O)c1ccccc1OCC[NH+](C)C)[C@@H](c1ccccc1)[NH+](C)C ZINC000505632722 502955147 /nfs/dbraw/zinc/95/51/47/502955147.db2.gz JEGIVJWPLBRHNG-UWJYYQICSA-N 2 0 369.509 3.048 20 0 FGADRP C[C@H]([NH2+]C(C)(C)CNC(=O)N1C[C@H]([NH+]2CCCC2)C[C@@H]1C)c1ccccc1 ZINC000497448210 502962431 /nfs/dbraw/zinc/96/24/31/502962431.db2.gz PKOWWQPQCNWWMA-CMKODMSKSA-N 2 0 372.557 3.384 20 0 FGADRP C[C@H]1C[C@@H](CC[NH2+]Cc2cccc(C(N)=O)c2)C[N@@H+]1Cc1ccccc1 ZINC000513544625 502962912 /nfs/dbraw/zinc/96/29/12/502962912.db2.gz KNMGKBPJEDGSEU-FXAWDEMLSA-N 2 0 351.494 3.176 20 0 FGADRP CC(C)[C@@H](C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1)[NH+]1CCCCC1 ZINC000513571728 502968832 /nfs/dbraw/zinc/96/88/32/502968832.db2.gz GPZYYZKFYJMSLF-RTWAWAEBSA-N 2 0 357.542 3.278 20 0 FGADRP CC[N@H+](CCNC(=O)NCC[C@@H]1C[C@@H](C)[NH+](Cc2ccccc2)C1)C1CC1 ZINC000509710987 502973379 /nfs/dbraw/zinc/97/33/79/502973379.db2.gz HFMDRCPVVNWALC-UYAOXDASSA-N 2 0 372.557 3.071 20 0 FGADRP C[C@H](NC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)[C@@H](c1ccccc1)[NH+](C)C ZINC000497555789 502986791 /nfs/dbraw/zinc/98/67/91/502986791.db2.gz DJLFHFFMCFFHSY-UHOSZYNNSA-N 2 0 362.562 3.343 20 0 FGADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC000489565476 502987097 /nfs/dbraw/zinc/98/70/97/502987097.db2.gz ZRXOCRZGNQCBPN-KURKYZTESA-N 2 0 352.567 3.059 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CCCc1ccc(C)cc1 ZINC000505804187 502988779 /nfs/dbraw/zinc/98/87/79/502988779.db2.gz ZXYORYODCLBXMQ-OAQYLSRUSA-N 2 0 359.558 3.192 20 0 FGADRP CC(C)(C)NC(=O)C[NH2+][C@@H]1CCCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000513707237 503005068 /nfs/dbraw/zinc/00/50/68/503005068.db2.gz ANVNJBHVIWCSMC-SLFFLAALSA-N 2 0 357.542 3.182 20 0 FGADRP CC(C)C[C@@H](CNC(=O)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1)[NH+](C)C ZINC000509936286 503014344 /nfs/dbraw/zinc/01/43/44/503014344.db2.gz AWHIGIGMPDDPAN-ICSRJNTNSA-N 2 0 363.521 3.130 20 0 FGADRP C[C@H](CNC(=O)NCCCC[N@@H+]1CCCC[C@H]1C)[NH+]1CCCC[C@H]1C ZINC000501491971 503020665 /nfs/dbraw/zinc/02/06/65/503020665.db2.gz QCBQQSFKEFZZBO-GUDVDZBRSA-N 2 0 352.567 3.203 20 0 FGADRP C[C@H](CNC(=O)N1CCC[N@H+](Cc2ccccc2)CC1)[NH+]1CCC[C@@H](C)C1 ZINC000501523901 503029207 /nfs/dbraw/zinc/02/92/07/503029207.db2.gz OTTAHUWOYGKWJP-WOJBJXKFSA-N 2 0 372.557 3.024 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)NCC[N@@H+]1CCCC[C@@H]1C)c1ccccc1 ZINC000501547123 503034539 /nfs/dbraw/zinc/03/45/39/503034539.db2.gz RSROJLFXCSVBMS-ICSRJNTNSA-N 2 0 360.546 3.243 20 0 FGADRP C[NH+](C)[C@H]1CCC[C@H](NC(=O)N2CCC[N@H+](CC3CCCCC3)CC2)C1 ZINC000489793513 503036333 /nfs/dbraw/zinc/03/63/33/503036333.db2.gz CUNBAJZQDVGERC-PMACEKPBSA-N 2 0 364.578 3.157 20 0 FGADRP COc1ccccc1[C@@H](C)N(C)C(=O)C[N@H+](CCC[NH3+])CC1CCCC1 ZINC000489821779 503042273 /nfs/dbraw/zinc/04/22/73/503042273.db2.gz AQTQPWSVFUUDMA-QGZVFWFLSA-N 2 0 361.530 3.056 20 0 FGADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NCC1([NH+](C)C)CCCC1 ZINC000489830258 503044134 /nfs/dbraw/zinc/04/41/34/503044134.db2.gz KBWOYXWKNMEAFV-ICSRJNTNSA-N 2 0 372.557 3.071 20 0 FGADRP CC(C)[C@H]([NH2+]CCN1CC[NH+](Cc2ccccc2)CC1)c1ccc(F)cn1 ZINC000497829867 503049370 /nfs/dbraw/zinc/04/93/70/503049370.db2.gz XFQKUZMWOLIFKC-QFIPXVFZSA-N 2 0 370.516 3.325 20 0 FGADRP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@@H+](C)C3(C)CCCC3)CC2)cc1 ZINC000489862634 503051332 /nfs/dbraw/zinc/05/13/32/503051332.db2.gz GYCMDLYHHDRFDC-UHFFFAOYSA-N 2 0 357.542 3.294 20 0 FGADRP c1cc(OCC[NH+]2CCCC2)ccc1C[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000514076346 503081011 /nfs/dbraw/zinc/08/10/11/503081011.db2.gz WYCHMXZNFMBPGZ-PWRODBHTSA-N 2 0 356.510 3.208 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)N1CCCC12CC[NH+](C)CC2)CC(C)C ZINC000510331061 503093595 /nfs/dbraw/zinc/09/35/95/503093595.db2.gz IPLLCOUPIMMGST-GOSISDBHSA-N 2 0 352.567 3.013 20 0 FGADRP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)NCC[N@H+](C)C2CCCCC2)C1 ZINC000514130178 503095586 /nfs/dbraw/zinc/09/55/86/503095586.db2.gz HMDMCYRGVBCNOJ-RTBURBONSA-N 2 0 366.594 3.308 20 0 FGADRP CC[NH+]1CCN(Cc2ccc(C[NH2+]C3CC(OC(C)(C)C)C3)cc2)CC1 ZINC000490123841 503113330 /nfs/dbraw/zinc/11/33/30/503113330.db2.gz GASDXJUAZWOPHK-UHFFFAOYSA-N 2 0 359.558 3.260 20 0 FGADRP Cc1ccc([C@@H](CNC(=O)NCC[N@H+]2CCC[C@H](C)C2)[NH+]2CCCC2)cc1 ZINC000514221441 503116783 /nfs/dbraw/zinc/11/67/83/503116783.db2.gz HTZHGIOVNRYSNF-PZJWPPBQSA-N 2 0 372.557 3.163 20 0 FGADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)Cc1c(Cl)cccc1Cl ZINC000490160883 503120477 /nfs/dbraw/zinc/12/04/77/503120477.db2.gz HLQCMOYYIVPXMK-UHFFFAOYSA-N 2 0 374.356 3.268 20 0 FGADRP C[C@@H](CNC(=O)NCCC[N@H+](C)C1CCCCC1)[NH+]1CCC(C)CC1 ZINC000514241229 503123036 /nfs/dbraw/zinc/12/30/36/503123036.db2.gz JBQQYTZKPAERPO-SFHVURJKSA-N 2 0 352.567 3.061 20 0 FGADRP C[C@@H]1C[C@H](CCNC(=O)[C@H]([NH3+])c2ccccc2)C[N@@H+]1Cc1ccccc1 ZINC000498214142 503133122 /nfs/dbraw/zinc/13/31/22/503133122.db2.gz NVEUBMMRAFAONU-SLYNCCJLSA-N 2 0 351.494 3.103 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N[C@@H](C)C1=CC[N@H+](C)CC1)c1ccccc1 ZINC000510542725 503139093 /nfs/dbraw/zinc/13/90/93/503139093.db2.gz BOQJHFOLICKPHS-FXAWDEMLSA-N 2 0 358.530 3.019 20 0 FGADRP CC[N@@H+]1C[C@H](C)N(C(=O)N[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)C[C@@H]1C ZINC000498254653 503143295 /nfs/dbraw/zinc/14/32/95/503143295.db2.gz VYQWRKGTMYPQFK-VNYTWHDVSA-N 2 0 372.557 3.164 20 0 FGADRP C[C@H](CCc1c(F)cccc1F)[NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000510699018 503175427 /nfs/dbraw/zinc/17/54/27/503175427.db2.gz BROHPOKZNSPOSZ-MRXNPFEDSA-N 2 0 374.479 3.223 20 0 FGADRP Cc1cc(OCCC[C@@H](C)[NH2+]C[C@H](O)C[NH+]2CCCC2)ccc1Cl ZINC000510724392 503179804 /nfs/dbraw/zinc/17/98/04/503179804.db2.gz XMDVRRMQCKAZGS-SJORKVTESA-N 2 0 354.922 3.242 20 0 FGADRP CC[NH+](CC)CCOc1ccccc1NC(=O)N1CC[NH+](C2CCC2)CC1 ZINC000502327683 503180586 /nfs/dbraw/zinc/18/05/86/503180586.db2.gz ADUFYOTXSLVEKX-UHFFFAOYSA-N 2 0 374.529 3.109 20 0 FGADRP CCc1ccc([C@@H](CNC(=O)c2ccccc2C[NH+](C)C)[NH+](C)C)cc1 ZINC000498599011 503223367 /nfs/dbraw/zinc/22/33/67/503223367.db2.gz VFANZLGRGBQAHM-OAQYLSRUSA-N 2 0 353.510 3.343 20 0 FGADRP O=C([C@@H]1CCC[N@H+](Cc2ccccc2)C1)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000502574458 503229659 /nfs/dbraw/zinc/22/96/59/503229659.db2.gz JOZJOXBJMXIWRC-FGZHOGPDSA-N 2 0 369.553 3.376 20 0 FGADRP O=C(Nc1ccc(CC[NH+]2CCCCC2)cc1)N1CC[NH+](C2CCC2)CC1 ZINC000502583889 503232080 /nfs/dbraw/zinc/23/20/80/503232080.db2.gz GGCHTKAUVNTDSZ-UHFFFAOYSA-N 2 0 370.541 3.417 20 0 FGADRP CCCC[N@H+](C)CCNC(=O)NCc1ccc(C[NH+]2CCC[C@@H](C)C2)cc1 ZINC000490890601 503242520 /nfs/dbraw/zinc/24/25/20/503242520.db2.gz TWRSJFZXTRHGEC-LJQANCHMSA-N 2 0 374.573 3.450 20 0 FGADRP C[C@H](CCNC(=O)N1CC[C@H]([NH+]2CCCC2)[C@@H]1C)[N@H+](C)Cc1ccccc1 ZINC000498725837 503249541 /nfs/dbraw/zinc/24/95/41/503249541.db2.gz AMGKSGKQJOJNCE-DYXWJJEUSA-N 2 0 372.557 3.165 20 0 FGADRP CC[NH+]1CCN(Cc2ccc(C[NH2+][C@H]3CCC[C@@H]3CCOC)cc2)CC1 ZINC000502706369 503255019 /nfs/dbraw/zinc/25/50/19/503255019.db2.gz FTWNWCPKWRHKHX-YADHBBJMSA-N 2 0 359.558 3.119 20 0 FGADRP CCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000498898586 503286701 /nfs/dbraw/zinc/28/67/01/503286701.db2.gz COQQLIMUEWPXCF-JBACZVJFSA-N 2 0 372.557 3.213 20 0 FGADRP CC(C)CC[NH+]1CCC(CNC(=O)N2CC[C@@H]([NH+]3CCCC3)[C@H]2C)CC1 ZINC000498907359 503289230 /nfs/dbraw/zinc/28/92/30/503289230.db2.gz LVGWOICAVBRHGE-UYAOXDASSA-N 2 0 364.578 3.013 20 0 FGADRP CC[C@@H](CNC(=O)c1ccc(C[NH+](C)C)cc1)[N@@H+]1CCc2ccccc2C1 ZINC000511264861 503290506 /nfs/dbraw/zinc/29/05/06/503290506.db2.gz GYEAMJCNPZMZBI-QFIPXVFZSA-N 2 0 365.521 3.315 20 0 FGADRP CC[NH+](CC)CC1CCN(C(=O)NCCCC[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000502860122 503291552 /nfs/dbraw/zinc/29/15/52/503291552.db2.gz LKIHXCGWHSEMLQ-IBGZPJMESA-N 2 0 366.594 3.262 20 0 FGADRP CCC[C@H]([NH2+]C(C)C)C(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000498917847 503293002 /nfs/dbraw/zinc/29/30/02/503293002.db2.gz IHBWGIMBYBMSLD-XYJFISCASA-N 2 0 351.560 3.414 20 0 FGADRP C[C@H](NC(=O)NCC[N@H+](C)C1CCCCC1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000511290426 503293370 /nfs/dbraw/zinc/29/33/70/503293370.db2.gz FTSHDCWOKINMSC-ROUUACIJSA-N 2 0 364.578 3.203 20 0 FGADRP C[C@H](NC(=O)NCc1cccc(C[NH+]2CCCCCC2)c1)[C@@H]1CCC[NH2+]C1 ZINC000515221430 503296400 /nfs/dbraw/zinc/29/64/00/503296400.db2.gz RIQSKKSIRKEIEH-GHTZIAJQSA-N 2 0 372.557 3.250 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)N1CC[NH+](C)CC[C@@H]1C ZINC000502911203 503305955 /nfs/dbraw/zinc/30/59/55/503305955.db2.gz GCGBXBWOKKGJBP-MOPGFXCFSA-N 2 0 372.557 3.297 20 0 FGADRP CC(C)[NH+]1CCC(O)(C[NH2+]C[C@@H](C)c2cccc(Br)c2)CC1 ZINC000503014398 503324895 /nfs/dbraw/zinc/32/48/95/503324895.db2.gz GYZFLFOUDZRDMH-OAHLLOKOSA-N 2 0 369.347 3.378 20 0 FGADRP COc1cccc([C@H](CNC(=O)[C@@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)[NH+]2CCCC2)c1 ZINC000511530208 503337860 /nfs/dbraw/zinc/33/78/60/503337860.db2.gz GIOJHXCIYZXAGM-IIMDRIAPSA-N 2 0 373.541 3.210 20 0 FGADRP O[C@@H](C[NH2+]CC1CC[NH+](C2CC2)CC1)Cc1ccccc1C(F)(F)F ZINC000515468004 503344606 /nfs/dbraw/zinc/34/46/06/503344606.db2.gz ZUHHIVNTQOGNDR-QGZVFWFLSA-N 2 0 356.432 3.073 20 0 FGADRP CC(C)[NH+](CCN(C)C(=O)NC[C@H](C)[N@@H+]1CCc2ccccc2C1)C(C)C ZINC000503185056 503362326 /nfs/dbraw/zinc/36/23/26/503362326.db2.gz PGIDXCYGIBLJPY-IBGZPJMESA-N 2 0 374.573 3.193 20 0 FGADRP COc1ccc(F)c(C[NH+]2CCC(C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)c1 ZINC000507833520 503376349 /nfs/dbraw/zinc/37/63/49/503376349.db2.gz MXFCKRMORANDCM-HOTGVXAUSA-N 2 0 350.478 3.156 20 0 FGADRP C[C@@H]1CCC[C@@H](C[NH2+]Cc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)C1 ZINC000507950694 503402894 /nfs/dbraw/zinc/40/28/94/503402894.db2.gz MTSQKKGCJHLWTE-UYAOXDASSA-N 2 0 357.542 3.428 20 0 FGADRP C[C@@H]1CCC[C@H](C[NH2+]Cc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)C1 ZINC000507950693 503403124 /nfs/dbraw/zinc/40/31/24/503403124.db2.gz MTSQKKGCJHLWTE-QUCCMNQESA-N 2 0 357.542 3.428 20 0 FGADRP CC(C)CN(C(=O)C[N@@H+]1CCC[C@H](c2ncc3n2CCCC3)C1)C(C)C ZINC000503437001 503408673 /nfs/dbraw/zinc/40/86/73/503408673.db2.gz LPTWRBJINYCFLY-SFHVURJKSA-N 2 0 360.546 3.292 20 0 FGADRP Cc1cc([C@H](C)[NH2+][C@@H](C)CCN2CC[NH+](C)CC2)sc1Br ZINC000511976615 503426849 /nfs/dbraw/zinc/42/68/49/503426849.db2.gz BSNUJEVZKXXDRJ-KBPBESRZSA-N 2 0 374.392 3.496 20 0 FGADRP Cc1cc([C@@H](C)[NH2+]CCCN2CCC[N@H+](C)CC2)sc1Br ZINC000512054581 503445438 /nfs/dbraw/zinc/44/54/38/503445438.db2.gz WMHSMFRNMCKFDL-CQSZACIVSA-N 2 0 374.392 3.497 20 0 FGADRP CC(C)[N@@H+]1CCCN(C(=O)NCC(C)(C)[NH2+][C@H](C)c2ccccc2)CC1 ZINC000503686488 503458960 /nfs/dbraw/zinc/45/89/60/503458960.db2.gz AVXGGCVFUCYQAK-GOSISDBHSA-N 2 0 360.546 3.242 20 0 FGADRP Cc1ccccc1[C@H]([C@H](C)NC(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1)[NH+](C)C ZINC000493924145 503459949 /nfs/dbraw/zinc/45/99/49/503459949.db2.gz BFEXLBNCVSPKIJ-ZVDOUQERSA-N 2 0 374.573 3.406 20 0 FGADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H](C)c2cc(C)c(Br)s2)CC1 ZINC000512142712 503467928 /nfs/dbraw/zinc/46/79/28/503467928.db2.gz AOCXFKAPZNNKGB-KGLIPLIRSA-N 2 0 374.392 3.496 20 0 FGADRP CC[NH+](CC)Cc1cccc(CNC(=O)N[C@H](C)C[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000516244466 503479736 /nfs/dbraw/zinc/47/97/36/503479736.db2.gz SSOKGGIMVGEMEX-RTBURBONSA-N 2 0 374.573 3.448 20 0 FGADRP CC(C)[NH+](CCN(C)C(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1)C(C)C ZINC000503986027 503505068 /nfs/dbraw/zinc/50/50/68/503505068.db2.gz ZFZXRMKRBLXWOG-LJQANCHMSA-N 2 0 354.583 3.259 20 0 FGADRP Cc1sccc1C[NH+]1CCN(c2ccccc2OCC[NH+](C)C)CC1 ZINC000508568695 503521503 /nfs/dbraw/zinc/52/15/03/503521503.db2.gz LEASGWTWWAFPQV-UHFFFAOYSA-N 2 0 359.539 3.319 20 0 FGADRP C[C@@H]([NH2+]CC(C)(C)N1C[C@@H](C)O[C@H](C)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508702656 503546881 /nfs/dbraw/zinc/54/68/81/503546881.db2.gz WEPCCNRESVAODB-VMBXEPDQSA-N 2 0 373.585 3.374 20 0 FGADRP C[C@@H](O)C[C@H]1CCCCC[N@@H+]1CCC[NH+]1CCCCC[C@H]1C[C@H](C)O ZINC000512439320 503550921 /nfs/dbraw/zinc/55/09/21/503550921.db2.gz QAMQONNZYSBDCY-FXELSEDVSA-N 2 0 354.579 3.408 20 0 FGADRP C[C@@H](NC(=O)NC1CCC(C[NH+](C)C)CC1)[C@H](c1ccccc1)[NH+](C)C ZINC000500102868 503554665 /nfs/dbraw/zinc/55/46/65/503554665.db2.gz ANLMSLGIJLHXIV-OYGLOCFBSA-N 2 0 360.546 3.097 20 0 FGADRP Cc1cc(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)c2ccccc2n1 ZINC000512462508 503560137 /nfs/dbraw/zinc/56/01/37/503560137.db2.gz LDQZDUCHZGFCFH-UHFFFAOYSA-N 2 0 353.510 3.478 20 0 FGADRP Clc1ccc(CCCC[N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)cc1Cl ZINC000504424828 503572267 /nfs/dbraw/zinc/57/22/67/503572267.db2.gz UANUFIBBBGSBRE-INIZCTEOSA-N 2 0 356.341 3.296 20 0 FGADRP O=C(NC1CC[NH+](C2CCCC2)CC1)[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000611980836 506380259 /nfs/dbraw/zinc/38/02/59/506380259.db2.gz YAEAPTKFGZHJOT-QFIPXVFZSA-N 2 0 369.553 3.389 20 0 FGADRP Cc1cnc(CC[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)nc1 ZINC000512620648 503596805 /nfs/dbraw/zinc/59/68/05/503596805.db2.gz RVCZVTSOKRIVNK-QHAWAJNXSA-N 2 0 350.510 3.218 20 0 FGADRP Cc1cnc(CC[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)nc1 ZINC000512620645 503597123 /nfs/dbraw/zinc/59/71/23/503597123.db2.gz RVCZVTSOKRIVNK-NJDAHSKKSA-N 2 0 350.510 3.218 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@H](C)[C@H]2CCC[NH+](C3CCC3)C2)C[C@H]1C ZINC000512713183 503619189 /nfs/dbraw/zinc/61/91/89/503619189.db2.gz XOWBBCMTOVVZNU-XSYGEPLQSA-N 2 0 364.578 3.154 20 0 FGADRP C[NH+](C)Cc1cccc(C(=O)N[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)c1 ZINC000516977334 503636195 /nfs/dbraw/zinc/63/61/95/503636195.db2.gz SUTPVYHROFELAN-QFIPXVFZSA-N 2 0 351.494 3.143 20 0 FGADRP CN1CCC([NH+]2CCC(CC[N@H+](C)C/C=C/c3ccncc3)CC2)CC1 ZINC000494975821 503644186 /nfs/dbraw/zinc/64/41/86/503644186.db2.gz KUFLHWKBMFDXKJ-ONEGZZNKSA-N 2 0 356.558 3.223 20 0 FGADRP CCN(CC[NH+]1CCCCCC1)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000500541732 503644178 /nfs/dbraw/zinc/64/41/78/503644178.db2.gz WVFDZNWWCUSRTA-RTWAWAEBSA-N 2 0 372.557 3.339 20 0 FGADRP CC[NH+]1CCC(C[NH2+]C[C@@H](O)CO[C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000517025414 503646769 /nfs/dbraw/zinc/64/67/69/503646769.db2.gz RFYCULDSNPXWIK-HNAYVOBHSA-N 2 0 354.922 3.100 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)C1 ZINC000517148991 503655579 /nfs/dbraw/zinc/65/55/79/503655579.db2.gz NVAJRTRVFGJMOA-HSALFYBXSA-N 2 0 364.578 3.014 20 0 FGADRP C[C@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@H+](C)C[C@H]1CC=CCC1 ZINC000543173326 503659764 /nfs/dbraw/zinc/65/97/64/503659764.db2.gz QZFMTFZLLCPGRK-DYXWJJEUSA-N 2 0 355.526 3.054 20 0 FGADRP CCC1(C[NH2+][C@H]2CCC(=O)NC2(C)C)CC[NH+](Cc2ccccc2)CC1 ZINC000495080105 503661778 /nfs/dbraw/zinc/66/17/78/503661778.db2.gz PTJHJVQACVNKCH-IBGZPJMESA-N 2 0 357.542 3.326 20 0 FGADRP CC(C)[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000529701544 503665027 /nfs/dbraw/zinc/66/50/27/503665027.db2.gz JADRDTHHEPHIGP-SESVDKBCSA-N 2 0 357.542 3.086 20 0 FGADRP Cc1nc2ccccc2n1C1CCN(C(=O)NC[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000517225730 503683748 /nfs/dbraw/zinc/68/37/48/503683748.db2.gz HIXZTFLKMFUBNT-DLBZAZTESA-N 2 0 369.513 3.209 20 0 FGADRP Cc1c([C@H](C)[NH2+]CCCC[NH+]2C[C@H](C)O[C@@H](C)C2)nnn1-c1ccccc1 ZINC000540169700 503695565 /nfs/dbraw/zinc/69/55/65/503695565.db2.gz HTRJRDUSHXVDFU-BZSNNMDCSA-N 2 0 371.529 3.116 20 0 FGADRP COc1ccccc1[C@@H](CO)[NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000540181881 503699843 /nfs/dbraw/zinc/69/98/43/503699843.db2.gz HUGSFXSENBBBIS-OXJNMPFZSA-N 2 0 358.482 3.020 20 0 FGADRP COc1ccc(C[C@@H](C)C[NH+]2CCC(OCC[NH+](C)C)CC2)cc1F ZINC000546311105 503707605 /nfs/dbraw/zinc/70/76/05/503707605.db2.gz XZIZWCWNSIREAD-MRXNPFEDSA-N 2 0 352.494 3.056 20 0 FGADRP C[C@@H]1[C@H](C)N(C(=O)c2cccc(C[NH+](C)Cc3ccccc3)c2)CC[N@H+]1C ZINC000543294153 503714095 /nfs/dbraw/zinc/71/40/95/503714095.db2.gz JZPKMNJZESFQAW-MOPGFXCFSA-N 2 0 365.521 3.483 20 0 FGADRP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@@H+]([C@@H](C)C2CC2)C2CC2)CC1 ZINC000517323805 503715736 /nfs/dbraw/zinc/71/57/36/503715736.db2.gz CHHHUWSHGKBIJT-IBGZPJMESA-N 2 0 369.553 3.292 20 0 FGADRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]CCCOc1ncc(C(F)(F)F)cc1Cl ZINC000536829800 503734762 /nfs/dbraw/zinc/73/47/62/503734762.db2.gz AAGDFOBACLLMBS-SMDDNHRTSA-N 2 0 365.827 3.453 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccccc2-n2ccc(C)n2)[C@@H](C)C1 ZINC000536846528 503738207 /nfs/dbraw/zinc/73/82/07/503738207.db2.gz QWPSYYSSLIEYDD-RXVVDRJESA-N 2 0 370.541 3.407 20 0 FGADRP C[C@H]([NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000536855891 503742190 /nfs/dbraw/zinc/74/21/90/503742190.db2.gz CHLIEBUOTZTZQB-BBWFWOEESA-N 2 0 373.541 3.456 20 0 FGADRP CC[N@H+](CCC1CC[NH+](CC(=O)N2CCCCCC2)CC1)CC(C)C ZINC000536887584 503749940 /nfs/dbraw/zinc/74/99/40/503749940.db2.gz ZREGPINJLDLSLW-UHFFFAOYSA-N 2 0 351.579 3.469 20 0 FGADRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]CCc1c[nH]c2ccc(Br)cc12 ZINC000543415813 503761316 /nfs/dbraw/zinc/76/13/16/503761316.db2.gz CINLHPUZXTXTJT-BLLLJJGKSA-N 2 0 350.304 3.403 20 0 FGADRP Cc1n[nH]cc1C[NH2+]CCc1ccc(OCC[NH+]2C[C@H](C)[C@@H](C)C2)cc1 ZINC000537024730 503780159 /nfs/dbraw/zinc/78/01/59/503780159.db2.gz WLGCBMGYOFWDKV-IRXDYDNUSA-N 2 0 356.514 3.017 20 0 FGADRP C[NH+](C)CCN1CCC([NH2+][C@H]2CCCOc3cc(Cl)ccc32)CC1 ZINC000537105319 503803228 /nfs/dbraw/zinc/80/32/28/503803228.db2.gz YQMZLTCRWYRZBK-SFHVURJKSA-N 2 0 351.922 3.169 20 0 FGADRP CC[NH+](CC)CCOC1CC[NH+](Cc2cnc(-c3ccccc3)nc2)CC1 ZINC000533310940 503803801 /nfs/dbraw/zinc/80/38/01/503803801.db2.gz CVAVIFZNFOIJEY-UHFFFAOYSA-N 2 0 368.525 3.466 20 0 FGADRP CCc1c2ccccc2oc1[C@@H](C)[NH2+]CCCC[NH+]1CCN(CCO)CC1 ZINC000540594970 503827677 /nfs/dbraw/zinc/82/76/77/503827677.db2.gz RBJCMRUMBATDNH-GOSISDBHSA-N 2 0 373.541 3.036 20 0 FGADRP c1cc(OCC[NH+]2CCCC2)ccc1CC[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000540609282 503832919 /nfs/dbraw/zinc/83/29/19/503832919.db2.gz PFYLFSQLDJZQCN-VSKRKVRLSA-N 2 0 370.537 3.251 20 0 FGADRP C[C@H](CCO)C1(C[NH2+]Cc2ccccc2N(C)C2CC[NH+](C)CC2)CCC1 ZINC000540644548 503843303 /nfs/dbraw/zinc/84/33/03/503843303.db2.gz NBDGBNILUJQQQS-LJQANCHMSA-N 2 0 373.585 3.495 20 0 FGADRP CN(C)c1cc[nH+]cc1C(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000543701619 503857726 /nfs/dbraw/zinc/85/77/26/503857726.db2.gz MQOGWJXJCZAFSQ-UHFFFAOYSA-N 2 0 366.509 3.454 20 0 FGADRP CC(C)CC[NH+]1CCC(CNC(=O)N2CCc3ccccc3[C@H]2C[NH3+])CC1 ZINC000517932379 503869783 /nfs/dbraw/zinc/86/97/83/503869783.db2.gz JYMBZNJUPAVVJP-OAQYLSRUSA-N 2 0 372.557 3.012 20 0 FGADRP CC[NH+](CC)Cc1ccc(CNC(=O)NC[C@@H]2CC[N@@H+]2C2CCCC2)cc1 ZINC000527638230 503870553 /nfs/dbraw/zinc/87/05/53/503870553.db2.gz HHLSMKHUTNAVBY-NRFANRHFSA-N 2 0 372.557 3.345 20 0 FGADRP CC(C)(C)C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1ccc(F)cc1 ZINC000537293257 503871409 /nfs/dbraw/zinc/87/14/09/503871409.db2.gz KEQKVYYSQONRLL-IEBWSBKVSA-N 2 0 363.521 3.480 20 0 FGADRP C[C@H]1C[NH+](CCOc2ccc(CC[NH2+]CC3=CCCOC3)cc2)C[C@@H]1C ZINC000537351494 503886383 /nfs/dbraw/zinc/88/63/83/503886383.db2.gz JBOOKACWQFNKMQ-OALUTQOASA-N 2 0 358.526 3.132 20 0 FGADRP c1cncc(-c2cccc(C[NH+]3CCC(CO[C@H]4CC[NH2+]C4)CC3)c2)c1 ZINC000530248528 503894057 /nfs/dbraw/zinc/89/40/57/503894057.db2.gz LSGHSDVJMQUACM-QFIPXVFZSA-N 2 0 351.494 3.339 20 0 FGADRP Clc1ccc(-n2cc(C[NH+]3CCC(CO[C@@H]4CC[NH2+]C4)CC3)cn2)cc1 ZINC000530249319 503894413 /nfs/dbraw/zinc/89/44/13/503894413.db2.gz VEUXEYUMAZWTRZ-HXUWFJFHSA-N 2 0 374.916 3.116 20 0 FGADRP CC(C)C[C@H]([NH2+][C@@H]1CCSc2ccc(F)cc21)C(=O)NCC[NH+](C)C ZINC000537446224 503918195 /nfs/dbraw/zinc/91/81/95/503918195.db2.gz JLZSEEUJXSOHLT-SJORKVTESA-N 2 0 367.534 3.045 20 0 FGADRP C[C@H]1C[C@@H]([NH2+]CC(C)(C)C(=O)N2CCCC2)CCN1Cc1ccccc1 ZINC000527810691 503956254 /nfs/dbraw/zinc/95/62/54/503956254.db2.gz HLSKWDCUBNICTJ-ICSRJNTNSA-N 2 0 357.542 3.278 20 0 FGADRP C[C@@H]1CCC[C@@](CNC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)([NH+](C)C)C1 ZINC000518366661 503964831 /nfs/dbraw/zinc/96/48/31/503964831.db2.gz FOHIWEXRLSJLFS-KAGYGMCKSA-N 2 0 372.557 3.071 20 0 FGADRP CC(C)[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1ccc(F)cn1 ZINC000540988822 503966055 /nfs/dbraw/zinc/96/60/55/503966055.db2.gz QELLTYXAMYSQGY-TZIWHRDSSA-N 2 0 357.473 3.274 20 0 FGADRP c1ccc(C[NH+]2CCC3(CC[N@@H+](CCOC[C@@H]4CCCO4)C3)CC2)cc1 ZINC000518469748 503994510 /nfs/dbraw/zinc/99/45/10/503994510.db2.gz CEOBPQPQGHUGCA-NRFANRHFSA-N 2 0 358.526 3.170 20 0 FGADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(C)(C)C(=O)N1CCCC1 ZINC000528015983 504041462 /nfs/dbraw/zinc/04/14/62/504041462.db2.gz ZWROEVDFSKTRIW-ICSRJNTNSA-N 2 0 357.542 3.135 20 0 FGADRP C[C@@H](CCNC(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1)[NH+]1CCCCC1 ZINC000544297793 504077322 /nfs/dbraw/zinc/07/73/22/504077322.db2.gz CQMQLAFQDRWQBH-FPOVZHCZSA-N 2 0 372.557 3.387 20 0 FGADRP CC(C)COC[C@@H](O)C[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000534228396 504078114 /nfs/dbraw/zinc/07/81/14/504078114.db2.gz NZNNYZFPDOOQQZ-NRFANRHFSA-N 2 0 360.542 3.008 20 0 FGADRP CC[C@@H](C(=O)NC[C@H](C(C)C)[N@@H+]1CCc2ccccc2C1)[NH+](CC)CC ZINC000530812501 504093785 /nfs/dbraw/zinc/09/37/85/504093785.db2.gz RXBWATHCTLJQKZ-LEWJYISDSA-N 2 0 359.558 3.306 20 0 FGADRP CC[C@H]([NH2+]CCCC[NH+]1CCN(c2ccccc2)CC1)C1CCOCC1 ZINC000537992139 504104561 /nfs/dbraw/zinc/10/45/61/504104561.db2.gz SHHIAGGVLYXTGA-QFIPXVFZSA-N 2 0 359.558 3.384 20 0 FGADRP C[C@@H]1CCCC[C@@H]1C[NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000544370500 504106372 /nfs/dbraw/zinc/10/63/72/504106372.db2.gz FVHVDRAEOOPVHT-WIYYLYMNSA-N 2 0 357.542 3.428 20 0 FGADRP C[C@@H]([NH2+]C1(CNC(=O)COC2CCC([NH3+])CC2)CCCC1)c1ccccc1 ZINC000518972039 504107871 /nfs/dbraw/zinc/10/78/71/504107871.db2.gz ILQZAJXMOYJLFD-QHGAOEGBSA-N 2 0 373.541 3.053 20 0 FGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCc2ccc(F)c(F)c2F)[C@@H](C)C1 ZINC000544385300 504112250 /nfs/dbraw/zinc/11/22/50/504112250.db2.gz KCFDFVYZUBDXFB-WMLDXEAASA-N 2 0 358.448 3.373 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCc2ccc(F)c(F)c2F)[C@H](C)C1 ZINC000544385297 504112935 /nfs/dbraw/zinc/11/29/35/504112935.db2.gz KCFDFVYZUBDXFB-PBHICJAKSA-N 2 0 358.448 3.373 20 0 FGADRP C[C@H]1CCC[N@H+](CCCCNC(=O)N2CC[NH+](CCC(C)(C)C)CC2)C1 ZINC000518998578 504114741 /nfs/dbraw/zinc/11/47/41/504114741.db2.gz NWSXIALFICDYSV-IBGZPJMESA-N 2 0 366.594 3.262 20 0 FGADRP CC(C)[N@H+](C)CC1CC[NH+](Cc2c[nH]nc2-c2ccc3c(c2)OCO3)CC1 ZINC000534347832 504119681 /nfs/dbraw/zinc/11/96/81/504119681.db2.gz UYMIIPWNKPURLF-UHFFFAOYSA-N 2 0 370.497 3.358 20 0 FGADRP CCN(C[C@@H]1CCC[N@@H+]1CC)C(=O)c1oc2ccccc2c1C[NH+](C)C ZINC000547475687 504119738 /nfs/dbraw/zinc/11/97/38/504119738.db2.gz QFKWELXWVZINKF-INIZCTEOSA-N 2 0 357.498 3.441 20 0 FGADRP CC[N@@H+]1CCCN(C(=O)Nc2ccc(OCC[NH+]3CCCCC3)cc2)CC1 ZINC000538051614 504124950 /nfs/dbraw/zinc/12/49/50/504124950.db2.gz JGPDZCIFRSNWJX-UHFFFAOYSA-N 2 0 374.529 3.111 20 0 FGADRP CC[C@@H](C(=O)NC[C@@H](c1ccc(OC)cc1)[NH+]1CCCC1)[NH+](CC)CC ZINC000531042719 504170215 /nfs/dbraw/zinc/17/02/15/504170215.db2.gz JBSPMNZUPQJYIV-PMACEKPBSA-N 2 0 361.530 3.069 20 0 FGADRP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+][C@@H](c1ccc(F)cc1)c1cccnc1 ZINC000541542757 504170635 /nfs/dbraw/zinc/17/06/35/504170635.db2.gz DEVMTXRDFFUSPR-SFTDATJTSA-N 2 0 357.473 3.137 20 0 FGADRP CCCOc1ccc(C[NH+]2CCC(C)(C[NH+]3CCN(C)CC3)CC2)cc1 ZINC000544595071 504185090 /nfs/dbraw/zinc/18/50/90/504185090.db2.gz PMKFUTLQFKIHBE-UHFFFAOYSA-N 2 0 359.558 3.325 20 0 FGADRP C[NH+](C)[C@H](CNC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1)c1ccsc1 ZINC000534612993 504191921 /nfs/dbraw/zinc/19/19/21/504191921.db2.gz WCSXXSJYADMOPW-QRVBRYPASA-N 2 0 372.538 3.095 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(C[NH2+][C@H](Cc2ccccc2)C(N)=O)cc1 ZINC000544640879 504201841 /nfs/dbraw/zinc/20/18/41/504201841.db2.gz LYFSGLWLHRVOEW-XMSQKQJNSA-N 2 0 365.521 3.247 20 0 FGADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000519361819 504202423 /nfs/dbraw/zinc/20/24/23/504202423.db2.gz FJNSQSRFRKEFDC-HKUYNNGSSA-N 2 0 361.505 3.028 20 0 FGADRP C[C@H](C(=O)Nc1cc(F)ccc1F)N1CC[C@@H](n2cnc3c2CCCC3)C1 ZINC000519517773 504237098 /nfs/dbraw/zinc/23/70/98/504237098.db2.gz HYQMRXIOZLJJOW-UKRRQHHQSA-N 2 0 374.435 3.314 20 0 FGADRP C[C@H]1CCCC[N@@H+]1CCCNC(=O)[C@H]1CCCC[NH+]1Cc1ccccc1 ZINC000531282826 504251211 /nfs/dbraw/zinc/25/12/11/504251211.db2.gz NZEVCKYTRKSPOH-PZJWPPBQSA-N 2 0 357.542 3.422 20 0 FGADRP NC(=O)[C@@H](Cc1ccccc1)[NH2+]Cc1ccccc1C[NH+]1CCCCCC1 ZINC000541801837 504259672 /nfs/dbraw/zinc/25/96/72/504259672.db2.gz GOXSEGZAADOHSJ-JOCHJYFZSA-N 2 0 365.521 3.249 20 0 FGADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H](O)COc2cccc(C(F)(F)F)c2)C[C@@H]1C ZINC000531379064 504286061 /nfs/dbraw/zinc/28/60/61/504286061.db2.gz VFCYVKALKVGNOG-BHYGNILZSA-N 2 0 374.447 3.250 20 0 FGADRP CCCN(CC[NH+]1CCCCCC1)C(=O)Nc1ccc2c(c1)OCC[NH2+]C2 ZINC000528709493 504342453 /nfs/dbraw/zinc/34/24/53/504342453.db2.gz WJAIJWULBOJKMH-UHFFFAOYSA-N 2 0 374.529 3.289 20 0 FGADRP COC(=O)c1cc(C[NH+]2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)c[nH]1 ZINC000538724362 504344829 /nfs/dbraw/zinc/34/48/29/504344829.db2.gz GMMMQSWZMPMWJA-UHFFFAOYSA-N 2 0 367.493 3.289 20 0 FGADRP CN(c1ccccc1C[N@@H+]1CCC[C@@H]2COCC[C@H]21)C1CC[NH+](C)CC1 ZINC000538792581 504373413 /nfs/dbraw/zinc/37/34/13/504373413.db2.gz ZPKOXRAMXWCHNQ-DENIHFKCSA-N 2 0 357.542 3.218 20 0 FGADRP C[C@@H](CC[NH+](C)C)NC(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000520114259 504414611 /nfs/dbraw/zinc/41/46/11/504414611.db2.gz ZBBWVWDDHWMTBI-MAUKXSAKSA-N 2 0 366.937 3.116 20 0 FGADRP C[N@@H+]1CCCC12CCN(C[C@H](O)COc1ccc(C(C)(C)C)cc1)CC2 ZINC000542267317 504431187 /nfs/dbraw/zinc/43/11/87/504431187.db2.gz LPXYUXDUYXRMIV-IBGZPJMESA-N 2 0 360.542 3.284 20 0 FGADRP CN(CCC[NH+](C)C)C(=O)c1cccc(C[N@H+](C)Cc2ccccc2)c1 ZINC000542367822 504463908 /nfs/dbraw/zinc/46/39/08/504463908.db2.gz UJESJGMPWNGNET-UHFFFAOYSA-N 2 0 353.510 3.342 20 0 FGADRP O=C(c1ccccc1)N1CCC([NH2+]C2CC[NH+](C3CCCC3)CC2)CC1 ZINC000539075899 504465736 /nfs/dbraw/zinc/46/57/36/504465736.db2.gz NPSMYEMBXXSUMJ-UHFFFAOYSA-N 2 0 355.526 3.288 20 0 FGADRP CC[NH+](CC)CCOC1CC[NH+](CCN2CCCc3ccccc32)CC1 ZINC000535585324 504478265 /nfs/dbraw/zinc/47/82/65/504478265.db2.gz MTNJYTKXHBFQNW-UHFFFAOYSA-N 2 0 359.558 3.262 20 0 FGADRP C[C@@H](CNC(=O)NCCCC[N@@H+]1CCC[C@H](C)C1)[NH+](C)Cc1ccccc1 ZINC000520378582 504482477 /nfs/dbraw/zinc/48/24/77/504482477.db2.gz JRPRCORTCBCAJY-PMACEKPBSA-N 2 0 374.573 3.318 20 0 FGADRP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC[C@H]2CCCC[NH+]2CC)C1 ZINC000520379712 504483979 /nfs/dbraw/zinc/48/39/79/504483979.db2.gz LJODTQOCJVYMDW-ZWKOTPCHSA-N 2 0 352.567 3.061 20 0 FGADRP CC(C)c1ccc2c(c1)[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1)CCC2 ZINC000535624260 504488957 /nfs/dbraw/zinc/48/89/57/504488957.db2.gz LQAJWKDZEDOLDQ-TZIWHRDSSA-N 2 0 357.542 3.364 20 0 FGADRP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000520402314 504491031 /nfs/dbraw/zinc/49/10/31/504491031.db2.gz KKYAJBNMKUEEMJ-HXUWFJFHSA-N 2 0 366.509 3.166 20 0 FGADRP C[C@H]1C[N@H+](CCOc2ccc(CC[NH2+]Cc3cncs3)cc2)C[C@H]1C ZINC000539223686 504502002 /nfs/dbraw/zinc/50/20/02/504502002.db2.gz JJIVQARNFWFAPO-CALCHBBNSA-N 2 0 359.539 3.442 20 0 FGADRP CC(C)[C@H](C)NC(=O)C[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000535679954 504506166 /nfs/dbraw/zinc/50/61/66/504506166.db2.gz LKNPRRCUXHCAML-IBGZPJMESA-N 2 0 357.542 3.135 20 0 FGADRP C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000548739711 504548234 /nfs/dbraw/zinc/54/82/34/504548234.db2.gz DYQXDDDUIKYPBD-QRVBRYPASA-N 2 0 357.542 3.379 20 0 FGADRP O=C(N[C@H]1CC[NH+](C2CCCC2)C1)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000520734733 504569569 /nfs/dbraw/zinc/56/95/69/504569569.db2.gz PXMQQBIUVIKRMV-QUCCMNQESA-N 2 0 373.516 3.171 20 0 FGADRP CN(CCC(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1)c1cc[nH+]cc1 ZINC000542786718 504610358 /nfs/dbraw/zinc/61/03/58/504610358.db2.gz PZXOXJYLFLRHLO-JXFKEZNVSA-N 2 0 372.538 3.169 20 0 FGADRP CC(C)[NH+](CCNC(=O)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1)C(C)C ZINC000520954530 504615195 /nfs/dbraw/zinc/61/51/95/504615195.db2.gz LNKBZNYBQWEHDG-IBGZPJMESA-N 2 0 363.521 3.273 20 0 FGADRP CC1CC[NH+](Cc2ccccc2CNC(=O)N[C@@H]2CC[NH2+]C23CCC3)CC1 ZINC000529320863 504634048 /nfs/dbraw/zinc/63/40/48/504634048.db2.gz GGXMTECSVPSHMX-HXUWFJFHSA-N 2 0 370.541 3.002 20 0 FGADRP C[NH+](C)C[C@H](NC(=O)N1CCC(C)([NH3+])CC1)c1ccc(Cl)c(Cl)c1 ZINC000529386392 504651365 /nfs/dbraw/zinc/65/13/65/504651365.db2.gz NCFQGJLHHDAUPU-HNNXBMFYSA-N 2 0 373.328 3.119 20 0 FGADRP C[C@H](CNC(=O)NCCCCC[NH+]1CCCCC1)[N@@H+]1CCC[C@H](C)C1 ZINC000521167215 504668166 /nfs/dbraw/zinc/66/81/66/504668166.db2.gz HCOICWPOUIJIML-RBUKOAKNSA-N 2 0 352.567 3.062 20 0 FGADRP C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000521246859 504691771 /nfs/dbraw/zinc/69/17/71/504691771.db2.gz YBRWTLGOQIRNMG-GUDVDZBRSA-N 2 0 357.542 3.379 20 0 FGADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2ccc(O)c3nc(C)ccc23)C1 ZINC000549136945 504698786 /nfs/dbraw/zinc/69/87/86/504698786.db2.gz ACMUNULPXJWLLA-GOSISDBHSA-N 2 0 357.498 3.182 20 0 FGADRP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)N1CCC(C[NH+](C)C(C)C)CC1 ZINC000521308653 504706447 /nfs/dbraw/zinc/70/64/47/504706447.db2.gz AXENUEHDJPBHDT-FQEVSTJZSA-N 2 0 366.594 3.403 20 0 FGADRP CC[NH+](CC)CC1CCN(C(=O)NC[C@H](c2ccc(C)cc2)[NH+](C)C)CC1 ZINC000521520014 504751632 /nfs/dbraw/zinc/75/16/32/504751632.db2.gz NOCXTOJTSYDFRK-OAQYLSRUSA-N 2 0 374.573 3.361 20 0 FGADRP C[N@H+](Cc1ccccc1)CC(C)(C)CN1CCC(C)([NH+]2CCOCC2)CC1 ZINC000529662567 504754202 /nfs/dbraw/zinc/75/42/02/504754202.db2.gz HQRMFFMBBWFJQA-UHFFFAOYSA-N 2 0 373.585 3.331 20 0 FGADRP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)NC(C)(C)C[N@H+](C)Cc2ccccc2)C1 ZINC000532838161 504765189 /nfs/dbraw/zinc/76/51/89/504765189.db2.gz DCPYAQFBAGCDLW-RTBURBONSA-N 2 0 360.546 3.069 20 0 FGADRP C[C@H]([NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1)c1ccccc1C(F)(F)F ZINC000553009451 504803759 /nfs/dbraw/zinc/80/37/59/504803759.db2.gz NSMNLVGDEGCJGU-ZDUSSCGKSA-N 2 0 369.431 3.099 20 0 FGADRP CCS(=O)(=O)c1ccc(C[NH2+][C@H]2CCN(C)[C@H](c3ccccc3)C2)cc1 ZINC000556160232 504807345 /nfs/dbraw/zinc/80/73/45/504807345.db2.gz UJLPFTYTXNUVJU-FPOVZHCZSA-N 2 0 372.534 3.405 20 0 FGADRP COc1ccccc1[C@H](CNC(=O)CC[N@@H+]1CCCC[C@H]1C)[NH+]1CCCC1 ZINC000559261217 504812584 /nfs/dbraw/zinc/81/25/84/504812584.db2.gz LBINZIZOJDNPIU-QUCCMNQESA-N 2 0 373.541 3.213 20 0 FGADRP CC(C)c1[nH+]c(CN2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)c2ccccn21 ZINC000556273185 504833390 /nfs/dbraw/zinc/83/33/90/504833390.db2.gz OGIHDUIYKSJKEY-IBGZPJMESA-N 2 0 369.557 3.060 20 0 FGADRP CCN(CCC[NH+](C)C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000549590452 504855967 /nfs/dbraw/zinc/85/59/67/504855967.db2.gz HMOUFKPKUMRWJR-FQEVSTJZSA-N 2 0 374.573 3.270 20 0 FGADRP C[C@H](C(=O)NCc1ccccc1C[NH+]1C[C@H](C)C[C@@H](C)C1)[NH+]1CC(C)C1 ZINC000553326608 504884406 /nfs/dbraw/zinc/88/44/06/504884406.db2.gz NPFPKYVUFDHSDT-ZHALLVOQSA-N 2 0 357.542 3.121 20 0 FGADRP CC(C)[N@@H+]1CCCC[C@H]1CN(C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000559794580 504929033 /nfs/dbraw/zinc/92/90/33/504929033.db2.gz ZBHHDVHFMMMWGZ-QFIPXVFZSA-N 2 0 358.574 3.283 20 0 FGADRP Cc1ccc(-c2nc(C[NH+]3CCC([C@@H]4OCCC[C@H]4[NH3+])CC3)co2)cc1 ZINC000562750789 504933454 /nfs/dbraw/zinc/93/34/54/504933454.db2.gz JUMJMBOAFGZMQU-UXHICEINSA-N 2 0 355.482 3.368 20 0 FGADRP CC[NH+](CC)Cc1ccc(C(=O)N2CC[N@@H+](C3CCC3)C[C@H](C)C2)cc1 ZINC000553525802 504940086 /nfs/dbraw/zinc/94/00/86/504940086.db2.gz KQWRRHKJFONWCM-SFHVURJKSA-N 2 0 357.542 3.475 20 0 FGADRP COc1ccncc1CN[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000559870619 504941133 /nfs/dbraw/zinc/94/11/33/504941133.db2.gz GXPCWSRFOCQEQJ-CEWLAPEOSA-N 2 0 351.494 3.481 20 0 FGADRP Clc1ccc(-c2noc(CC[NH+]3CCC([C@H]4CCC[NH2+]4)CC3)n2)cc1 ZINC000565708068 504964715 /nfs/dbraw/zinc/96/47/15/504964715.db2.gz JUWRFVSTZRADJB-QGZVFWFLSA-N 2 0 360.889 3.397 20 0 FGADRP CC(=O)N1CCC([NH2+][C@@H]2CCCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000556864180 504999455 /nfs/dbraw/zinc/99/94/55/504999455.db2.gz CNUGWFUTFCUDIA-YMPZKCBVSA-N 2 0 369.553 3.278 20 0 FGADRP c1ccc(C[N@H+]2C[C@@H](C[NH2+][C@H]3CCCSC3)C3(C2)CCOCC3)cc1 ZINC000550262680 505005447 /nfs/dbraw/zinc/00/54/47/505005447.db2.gz NQMBSIPRCUWJKY-UXHICEINSA-N 2 0 360.567 3.400 20 0 FGADRP Cc1ncc(C[NH2+][C@@H]2CCCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c(=O)[nH]1 ZINC000556889944 505007877 /nfs/dbraw/zinc/00/78/77/505007877.db2.gz LOUUBCOHCNYIDH-HLAWJBBLSA-N 2 0 366.509 3.271 20 0 FGADRP C[C@@H](OC[C@H](O)C[NH2+]C1CC[NH+](CC2CC2)CC1)c1ccc(Cl)cc1 ZINC000562988576 505012284 /nfs/dbraw/zinc/01/22/84/505012284.db2.gz PZOOHFWUBLFUDP-FOIQADDNSA-N 2 0 366.933 3.243 20 0 FGADRP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)N(C)CCC[N@H+](C)Cc1ccco1 ZINC000553875665 505030606 /nfs/dbraw/zinc/03/06/06/505030606.db2.gz KHQPRYNWRXHULS-QZTJIDSGSA-N 2 0 364.534 3.006 20 0 FGADRP COc1cc(C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)ccc1OCC(F)(F)F ZINC000563135151 505057467 /nfs/dbraw/zinc/05/74/67/505057467.db2.gz HTFGTUXNZVENKK-HZPDHXFCSA-N 2 0 372.431 3.458 20 0 FGADRP [NH3+]C1(CNC(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)CCCCCC1 ZINC000557137430 505075883 /nfs/dbraw/zinc/07/58/83/505075883.db2.gz MVVJNOGYNZZEEJ-INIZCTEOSA-N 2 0 364.559 3.236 20 0 FGADRP Cc1nc2ccccc2n1CC[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000566089578 505076943 /nfs/dbraw/zinc/07/69/43/505076943.db2.gz RRXSIHZGIYQBDN-KNQAVFIVSA-N 2 0 362.477 3.190 20 0 FGADRP C[C@@H](CC(=O)Nc1ccccc1CN1C[C@@H](C)O[C@H](C)C1)n1ccnc1 ZINC000563222996 505080368 /nfs/dbraw/zinc/08/03/68/505080368.db2.gz QZUDIZLSPPVYBI-GVDBMIGSSA-N 2 0 356.470 3.082 20 0 FGADRP COCCN(C)CC[C@H]([NH2+][C@@H]1CCO[C@@H](C(F)(F)F)C1)c1ccccc1 ZINC000554069449 505080518 /nfs/dbraw/zinc/08/05/18/505080518.db2.gz RUZFUOTZCDCHEF-FGTMMUONSA-N 2 0 374.447 3.396 20 0 FGADRP CC[NH+]1CCC(CC[NH2+]C[C@H](O)COc2cccc3ccccc32)CC1 ZINC000566117897 505087209 /nfs/dbraw/zinc/08/72/09/505087209.db2.gz XVTVPYZEUMOZTB-FQEVSTJZSA-N 2 0 356.510 3.291 20 0 FGADRP C[C@@H](OC[C@@H](O)C[NH2+][C@@H](C)C1=CC[N@H+](C)CC1)c1ccc(Cl)cc1 ZINC000566131805 505092343 /nfs/dbraw/zinc/09/23/43/505092343.db2.gz PPZIIDRTAMFNFW-KHYOSLBOSA-N 2 0 352.906 3.019 20 0 FGADRP C[NH+](C)C[C@@H](CNC(=O)CC[C@@H]1CCCC[N@@H+]1C)c1ccc(Cl)cc1 ZINC000560506143 505107196 /nfs/dbraw/zinc/10/71/96/505107196.db2.gz IZDGMQZENDXBTM-MJGOQNOKSA-N 2 0 365.949 3.366 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N1CC[C@H]([NH+]2CCCC2)[C@H]1C)c1ccccc1 ZINC000554218416 505118957 /nfs/dbraw/zinc/11/89/57/505118957.db2.gz OJRKPQPLLPRBJW-HLAWJBBLSA-N 2 0 372.557 3.338 20 0 FGADRP COC1CCC([NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)CC1 ZINC000550882539 505119834 /nfs/dbraw/zinc/11/98/34/505119834.db2.gz NIRORGBZFYSEMM-ITAUSPCMSA-N 2 0 372.553 3.462 20 0 FGADRP C[C@H]([NH2+]CCCN1CC[N@H+](C)C[C@@H]1c1ccccc1)c1ccncc1F ZINC000550885620 505119856 /nfs/dbraw/zinc/11/98/56/505119856.db2.gz ITSHDJWJYOPJSF-LAUBAEHRSA-N 2 0 356.489 3.250 20 0 FGADRP C[N@@H+]1CC[C@H]([NH2+]CCCOc2ccc(C(F)(F)F)cn2)[C@@H]2CCC[C@@H]21 ZINC000560550035 505122420 /nfs/dbraw/zinc/12/24/20/505122420.db2.gz TURMXKKRSDDBFH-JYJNAYRXSA-N 2 0 357.420 3.332 20 0 FGADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000557419541 505129766 /nfs/dbraw/zinc/12/97/66/505129766.db2.gz MMMHXKGDLLUOIA-TZIWHRDSSA-N 2 0 357.542 3.137 20 0 FGADRP CN1CC[C@@H]([NH2+]C2CCN(c3ccccn3)CC2)C[C@H]1c1ccccc1 ZINC000551007378 505141239 /nfs/dbraw/zinc/14/12/39/505141239.db2.gz DGFCUPQZQFTVIU-RTWAWAEBSA-N 3 0 350.510 3.476 20 0 FGADRP CC[C@H]([NH2+]C1CCN(C(=O)NC2CCCCC2)CC1)[C@H]1CCCC[NH2+]1 ZINC000566407186 505166420 /nfs/dbraw/zinc/16/64/20/505166420.db2.gz NPOUBZKSDLTUAW-RBUKOAKNSA-N 2 0 350.551 3.003 20 0 FGADRP [NH3+][C@@H]1CCO[C@@H](C2CC[NH+](Cc3c[nH]nc3-c3ccc(Cl)cc3)CC2)C1 ZINC000563607656 505191160 /nfs/dbraw/zinc/19/11/60/505191160.db2.gz CABFWGIYCKSAIT-RTBURBONSA-N 2 0 374.916 3.448 20 0 FGADRP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+][C@H]3CCOC4(CCOCC4)C3)CC2)C1 ZINC000560921084 505211178 /nfs/dbraw/zinc/21/11/78/505211178.db2.gz VVAXCPPZKBUQDX-YZGWKJHDSA-N 2 0 350.547 3.347 20 0 FGADRP COc1cccc(C[NH+]2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)c1OC(C)C ZINC000560979712 505221150 /nfs/dbraw/zinc/22/11/50/505221150.db2.gz PFYHGVQAZIYCII-ICSRJNTNSA-N 2 0 362.514 3.201 20 0 FGADRP CC(C)OCCN1CCC([NH2+]Cc2cnc(-c3ccncc3)s2)CC1 ZINC000557822634 505238593 /nfs/dbraw/zinc/23/85/93/505238593.db2.gz SNBJZDANHDPPPT-UHFFFAOYSA-N 2 0 360.527 3.184 20 0 FGADRP COCCN(C)C[C@H](O)C[N@@H+]1CC[C@H](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000566686361 505243576 /nfs/dbraw/zinc/24/35/76/505243576.db2.gz KVTATZHHAITGEJ-JCGIZDLHSA-N 2 0 374.447 3.027 20 0 FGADRP C[C@](CO)(C[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)Cc1ccccc1 ZINC000563804496 505244073 /nfs/dbraw/zinc/24/40/73/505244073.db2.gz PTLZNJUYPMGLQY-MDNUFGMLSA-N 2 0 366.505 3.073 20 0 FGADRP [NH3+]CCC1CCN(C(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)CC1 ZINC000563816848 505247719 /nfs/dbraw/zinc/24/77/19/505247719.db2.gz QXULDBZULRJHEL-UHFFFAOYSA-N 2 0 358.530 3.308 20 0 FGADRP CC(C)[N@H+](C)CC1CC[NH+](C[C@@H]2CN(Cc3ccccc3)CCCO2)CC1 ZINC000551699532 505284736 /nfs/dbraw/zinc/28/47/36/505284736.db2.gz FZURDRWVNLFBLX-HSZRJFAPSA-N 2 0 373.585 3.330 20 0 FGADRP COc1ccc([C@H](NCC2([NH3+])C3CC4CC(C3)CC2C4)[C@@H]2CCC[NH2+]2)cc1 ZINC000566909089 505308256 /nfs/dbraw/zinc/30/82/56/505308256.db2.gz RCIXOVMOFVVYPX-MUXQYIQKSA-N 2 0 369.553 3.232 20 0 FGADRP CSC1(C[NH2+]Cc2cnn(-c3ccc(Cl)cc3)c2)CC[NH+](C)CC1 ZINC000561401187 505336714 /nfs/dbraw/zinc/33/67/14/505336714.db2.gz LMZVELMJOZTKJP-UHFFFAOYSA-N 2 0 364.946 3.443 20 0 FGADRP COc1cccc([C@@H]2[C@H](NCC[C@H]3CCCC[NH+]3C)CC[N@@H+]2C2CC2)c1 ZINC000555125135 505356965 /nfs/dbraw/zinc/35/69/65/505356965.db2.gz DGLJJZVSWQNYSU-STZQEDGTSA-N 2 0 357.542 3.437 20 0 FGADRP COc1cccc([C@@H]2[C@H](NCC[C@@H]3CCCC[NH+]3C)CC[N@@H+]2C2CC2)c1 ZINC000555125136 505357173 /nfs/dbraw/zinc/35/71/73/505357173.db2.gz DGLJJZVSWQNYSU-VLCRHTCISA-N 2 0 357.542 3.437 20 0 FGADRP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)NCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000561506528 505363583 /nfs/dbraw/zinc/36/35/83/505363583.db2.gz ZMDNCHZRCRSAHD-HCXYKTFWSA-N 2 0 364.578 3.011 20 0 FGADRP CCc1noc(-c2ccc(CC[NH2+][C@@H]3CC[N@H+](C)[C@H]4CCC[C@H]43)cc2)n1 ZINC000552034770 505376629 /nfs/dbraw/zinc/37/66/29/505376629.db2.gz WLVWKKBLYYTZPN-OTWHNJEPSA-N 2 0 354.498 3.304 20 0 FGADRP C[C@H]([NH2+]Cc1ccnc(-n2cccn2)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000558403969 505378090 /nfs/dbraw/zinc/37/80/90/505378090.db2.gz UNUWUNFTHDOATE-GHTZIAJQSA-N 2 0 361.493 3.268 20 0 FGADRP Cc1ccncc1CCC[N@@H+](C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000564308512 505378704 /nfs/dbraw/zinc/37/87/04/505378704.db2.gz IIJANDBZQDSLLZ-UHFFFAOYSA-N 2 0 366.553 3.072 20 0 FGADRP C[N@@H+]1CC[C@H]([NH2+]CC2(N3CCSCC3)CCCCC2)[C@H]2CCC[C@H]21 ZINC000552043956 505380324 /nfs/dbraw/zinc/38/03/24/505380324.db2.gz IERNONIFXQDNEQ-CEXWTWQISA-N 2 0 351.604 3.201 20 0 FGADRP CC[N@@H+]1CC[C@H]([NH+](C)CCCC(=O)Nc2ccccc2C(C)=O)C[C@@H]1C ZINC000564344370 505390181 /nfs/dbraw/zinc/39/01/81/505390181.db2.gz PZKWDFZOAWHYGJ-WMZOPIPTSA-N 2 0 359.514 3.413 20 0 FGADRP C[C@@]12CCC[N@@H+]1C[C@@H](c1noc(-c3cccc(C[NH+]4CCCC4)c3)n1)OC2 ZINC000567199942 505392879 /nfs/dbraw/zinc/39/28/79/505392879.db2.gz IXYNIRXFCYDXOT-RXVVDRJESA-N 2 0 368.481 3.258 20 0 FGADRP CCC[N@H+](CC)C[C@@H](C)NC(=O)N[C@@H](C)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000567206540 505394070 /nfs/dbraw/zinc/39/40/70/505394070.db2.gz OHFQOXMKFDYCAN-SVFBPWRDSA-N 2 0 374.573 3.317 20 0 FGADRP CSC1(C[NH2+]Cc2c(C(C)C)nc3sc(C)nn23)CC[NH+](C)CC1 ZINC000564376518 505399452 /nfs/dbraw/zinc/39/94/52/505399452.db2.gz FRYULZLJFPLYBR-UHFFFAOYSA-N 2 0 367.588 3.140 20 0 FGADRP CN(C[C@@H](O)C[NH2+][C@H]1CCCN(c2ccc(Cl)cc2Cl)C1)C1CC1 ZINC000564444859 505421888 /nfs/dbraw/zinc/42/18/88/505421888.db2.gz XIEVTTFRLJULEV-HOCLYGCPSA-N 2 0 372.340 3.007 20 0 FGADRP Cc1cc(Cl)cc(C[NH2+]CCCN2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000555532265 505448199 /nfs/dbraw/zinc/44/81/99/505448199.db2.gz MCQJAQDGBREWJT-UHFFFAOYSA-N 2 0 358.917 3.345 20 0 FGADRP Fc1ccc(OCC[NH+]2CCC(CC[NH+]3CCOCC3)CC2)c(Cl)c1 ZINC000552406938 505484836 /nfs/dbraw/zinc/48/48/36/505484836.db2.gz ZOZFUNGTPIBCOB-UHFFFAOYSA-N 2 0 370.896 3.292 20 0 FGADRP CC(C)(C)[C@H]1CC[C@H]1[NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000564674255 505489284 /nfs/dbraw/zinc/48/92/84/505489284.db2.gz CDUJKVBRPSOCSW-VQTJNVASSA-N 2 0 357.542 3.427 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc(F)c2ccccc2c1 ZINC000555683361 505491609 /nfs/dbraw/zinc/49/16/09/505491609.db2.gz BIWRDGXGAPMVKA-LJQANCHMSA-N 2 0 371.500 3.467 20 0 FGADRP COc1ccc([C@H](Cc2ccccc2)[NH2+][C@H](C)CN2CC[NH+](C)CC2)cc1 ZINC000562095995 505517830 /nfs/dbraw/zinc/51/78/30/505517830.db2.gz PEWCWCRAARLDSN-XXBNENTESA-N 2 0 367.537 3.205 20 0 FGADRP Cc1nc(-c2ccc(CC[NH2+][C@@H]3CCOC[C@H]3[C@H](C)[NH3+])s2)cs1 ZINC000564791833 505520973 /nfs/dbraw/zinc/52/09/73/505520973.db2.gz OCMAZKADUWPLKC-TUKIKUTGSA-N 2 0 351.541 3.064 20 0 FGADRP C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)[C@@H]2C[NH2+]Cc3ccccc32)CC1 ZINC000564802289 505524552 /nfs/dbraw/zinc/52/45/52/505524552.db2.gz ZJMVWSORWAMVKH-PGRDOPGGSA-N 2 0 369.553 3.377 20 0 FGADRP Cc1cc(C)cc(OCc2noc(C[N@H+]3CC4(C[C@@H]3C)CC[NH2+]CC4)n2)c1 ZINC000564833241 505533366 /nfs/dbraw/zinc/53/33/66/505533366.db2.gz YIIIZIBHSHUCLC-KRWDZBQOSA-N 2 0 370.497 3.229 20 0 FGADRP O[C@@H](C[NH2+]C1CC[NH+](CC2CC2)CC1)Cc1ccc(C(F)(F)F)cc1 ZINC000564845982 505536519 /nfs/dbraw/zinc/53/65/19/505536519.db2.gz ZIGHGAMXPWFEJM-GOSISDBHSA-N 2 0 356.432 3.073 20 0 FGADRP C[NH+]1CCN(C[C@@H]([NH2+][C@@H]2Cc3[nH]c4ccccc4c3C2)c2ccccc2)CC1 ZINC000555948607 505546224 /nfs/dbraw/zinc/54/62/24/505546224.db2.gz RBSWWSVHIGYVAT-YADARESESA-N 2 0 374.532 3.213 20 0 FGADRP COc1ccc([C@@H](C[NH+](C)C)NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)cc1 ZINC000552818317 505559757 /nfs/dbraw/zinc/55/97/57/505559757.db2.gz JZXMLSBRJNCRCS-GHTZIAJQSA-N 2 0 373.541 3.069 20 0 FGADRP CCCOc1ccc(C[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cn1 ZINC000582719602 506383877 /nfs/dbraw/zinc/38/38/77/506383877.db2.gz MJBDTVQVKWFTLC-GHTZIAJQSA-N 2 0 353.466 3.216 20 0 FGADRP CCc1nc2cc(CNC(=O)N3C[C@@H](C)[N@@H+](C)[C@@H](C)C3)ccc2n1C1CC1 ZINC000582768569 506409075 /nfs/dbraw/zinc/40/90/75/506409075.db2.gz XMVGPMJBZONODM-GASCZTMLSA-N 2 0 369.513 3.168 20 0 FGADRP Cc1nc2ccccc2n1C[C@@H]1CCC[N@@H+]1Cc1cc(=O)[nH]c(C2CC2)n1 ZINC000582890618 506473566 /nfs/dbraw/zinc/47/35/66/506473566.db2.gz NQGXWPFLQRDWBU-KRWDZBQOSA-N 2 0 363.465 3.382 20 0 FGADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)N[C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000612239168 506493199 /nfs/dbraw/zinc/49/31/99/506493199.db2.gz IAJSTXVNFXPJJL-SLFFLAALSA-N 2 0 366.594 3.260 20 0 FGADRP CCC[NH+]1CCN(c2ccccc2C[NH2+]CC2(C(=O)OC)CCCC2)CC1 ZINC000612404615 506566740 /nfs/dbraw/zinc/56/67/40/506566740.db2.gz VODHRHJTKXZHAF-UHFFFAOYSA-N 2 0 373.541 3.042 20 0 FGADRP C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)[C@H]2CCc3nc[nH]c3C2)CC1 ZINC000612469946 506590065 /nfs/dbraw/zinc/59/00/65/506590065.db2.gz JDCTXTKDFCUUQL-WMZOPIPTSA-N 2 0 358.530 3.018 20 0 FGADRP C[C@H]1C[NH+](Cc2ccc(C[NH2+]Cc3ccc4[nH]cnc4c3)cc2)C[C@H](C)O1 ZINC000589639027 506615438 /nfs/dbraw/zinc/61/54/38/506615438.db2.gz NWXQLRRNVMDRSY-IRXDYDNUSA-N 2 0 364.493 3.462 20 0 FGADRP C[C@@H]1C[NH+](Cc2ccc(C[NH2+]Cc3ccc4[nH]cnc4c3)cc2)C[C@@H](C)O1 ZINC000589639026 506616023 /nfs/dbraw/zinc/61/60/23/506616023.db2.gz NWXQLRRNVMDRSY-IAGOWNOFSA-N 2 0 364.493 3.462 20 0 FGADRP CC(C)(C(=O)Nc1nc(C2CC[NH2+]CC2)cs1)[C@@H]([NH3+])c1ccccc1 ZINC000583193465 506643039 /nfs/dbraw/zinc/64/30/39/506643039.db2.gz IVEBSNGGUHISPW-INIZCTEOSA-N 2 0 358.511 3.275 20 0 FGADRP C[NH+](C)CCOc1ccc(NC(=O)[C@@H]2C[NH2+]Cc3ccccc32)cc1Cl ZINC000583260963 506682394 /nfs/dbraw/zinc/68/23/94/506682394.db2.gz CZNQJPQJSCMVFI-QGZVFWFLSA-N 2 0 373.884 3.106 20 0 FGADRP C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCCCC[NH2+]2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000583264225 506684875 /nfs/dbraw/zinc/68/48/75/506684875.db2.gz HCXDXBZPMPSFPJ-FHLIZLRMSA-N 2 0 367.896 3.120 20 0 FGADRP C[NH+](C)CCN(CC[NH+](C)C)Cc1cc(C(F)(F)F)ccc1Cl ZINC000583290286 506698192 /nfs/dbraw/zinc/69/81/92/506698192.db2.gz QGVAPNCYHPDBJN-UHFFFAOYSA-N 2 0 351.844 3.284 20 0 FGADRP CC[N@H+](C)[C@H](C(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C)c1ccccc1 ZINC000589992890 506698310 /nfs/dbraw/zinc/69/83/10/506698310.db2.gz IWSVJCIMYVBIEY-UXHICEINSA-N 2 0 357.473 3.238 20 0 FGADRP CC(C)[N@@H+]1CC[C@H](CNC(=O)N[C@@H](C[NH+]2CCCCC2)c2ccccc2)C1 ZINC000604184567 506740854 /nfs/dbraw/zinc/74/08/54/506740854.db2.gz XSBVKBVDOZYUBN-CTNGQTDRSA-N 2 0 372.557 3.243 20 0 FGADRP C[NH+](C)CC1CC[NH+](C[C@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000590125820 506744296 /nfs/dbraw/zinc/74/42/96/506744296.db2.gz NUOADWXVYZXQDF-AWEZNQCLSA-N 2 0 361.313 3.007 20 0 FGADRP C[NH+](C)CC1CCN(C(=O)N[C@H](C[NH+]2CCCCC2)c2ccccc2)CC1 ZINC000604202776 506750879 /nfs/dbraw/zinc/75/08/79/506750879.db2.gz ZSUBYJANTPNTFW-OAQYLSRUSA-N 2 0 372.557 3.197 20 0 FGADRP O=C([C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000593829984 506794426 /nfs/dbraw/zinc/79/44/26/506794426.db2.gz GKBVTUCANHYHOK-FPOVZHCZSA-N 2 0 373.516 3.125 20 0 FGADRP O[C@H]1CC[N@H+](Cc2ccc(C[NH2+]CCSCc3ccccc3)cc2)C1 ZINC000597186124 506822565 /nfs/dbraw/zinc/82/25/65/506822565.db2.gz FJSPDYQIHKBLTI-NRFANRHFSA-N 2 0 356.535 3.276 20 0 FGADRP CC(C)[N@H+](C)CC1CC[NH+]([C@@H](C)C(=O)N[C@H]2CCC[C@@H](C)[C@@H]2C)CC1 ZINC000590786544 506955863 /nfs/dbraw/zinc/95/58/63/506955863.db2.gz DSPUERIRXLQMNP-LXZJYRNTSA-N 2 0 351.579 3.368 20 0 FGADRP CC(C)c1ccc([C@@H]([NH3+])CNC(=O)N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)cc1 ZINC000583921541 507052530 /nfs/dbraw/zinc/05/25/30/507052530.db2.gz JGXHGTDWHFBBKQ-UTKZUKDTSA-N 2 0 372.557 3.326 20 0 FGADRP CCCC[N@H+](C)CC1CC[NH+](C[C@H](O)COc2cc(C)ccc2C)CC1 ZINC000613491522 507117270 /nfs/dbraw/zinc/11/72/70/507117270.db2.gz VVLSDXDSIWRHTP-NRFANRHFSA-N 2 0 362.558 3.487 20 0 FGADRP Cc1ccc(C[NH+]2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)c(-c2cnn(C)c2)c1 ZINC000584100838 507152678 /nfs/dbraw/zinc/15/26/78/507152678.db2.gz MPFVBZRISQFFKO-IRLDBZIGSA-N 2 0 368.525 3.114 20 0 FGADRP COc1ccccc1[C@@H](CNC(=O)[C@H](C)[NH+]1CCCCCC1)[NH+]1CCCC1 ZINC000605398938 507173452 /nfs/dbraw/zinc/17/34/52/507173452.db2.gz TZPCGNBMTIAQCG-AZUAARDMSA-N 2 0 373.541 3.213 20 0 FGADRP C[C@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)NC[C@H](C1CC1)[NH+](C)C ZINC000591438015 507249404 /nfs/dbraw/zinc/24/94/04/507249404.db2.gz PEEOOHSQGLYUNB-FXAWDEMLSA-N 2 0 373.541 3.010 20 0 FGADRP C[C@H](c1cccc(NC(=O)[C@H](C)[NH+]2[C@H](C)CC[C@H]2C)c1)N1CCOCC1 ZINC000591463176 507260685 /nfs/dbraw/zinc/26/06/85/507260685.db2.gz ASJUCURFCDZIPR-TVFCKZIOSA-N 2 0 359.514 3.280 20 0 FGADRP CCc1ccc([C@H](CNC(=O)NC[C@H](C(C)C)[NH+]2CCCC2)[NH+](C)C)cc1 ZINC000591541849 507282454 /nfs/dbraw/zinc/28/24/54/507282454.db2.gz OGYUQDVZWNNZRD-RTWAWAEBSA-N 2 0 374.573 3.271 20 0 FGADRP C[N@H+](CCCNC(=O)N1CCC[C@@H]1C[NH+]1CCCCC1)C1CCCCC1 ZINC000591558215 507291126 /nfs/dbraw/zinc/29/11/26/507291126.db2.gz ATQLIPIJRLHKFO-HXUWFJFHSA-N 2 0 364.578 3.301 20 0 FGADRP CC(C)[C@@H](CNC(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1)[NH+]1CCCC1 ZINC000591559041 507291212 /nfs/dbraw/zinc/29/12/12/507291212.db2.gz CHPJFHREEISZAZ-HSALFYBXSA-N 2 0 366.594 3.164 20 0 FGADRP CC(C)[NH2+][C@H]1CCCN(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000601222936 507300631 /nfs/dbraw/zinc/30/06/31/507300631.db2.gz SEJPPWAZIRAHJU-NRFANRHFSA-N 2 0 372.557 3.345 20 0 FGADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)NC[C@@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000584415542 507333544 /nfs/dbraw/zinc/33/35/44/507333544.db2.gz MYGFCRKKKCZFTM-HOCLYGCPSA-N 2 0 353.938 3.268 20 0 FGADRP C[C@H]([NH2+]Cc1[nH]nc2ccccc21)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000591713933 507338434 /nfs/dbraw/zinc/33/84/34/507338434.db2.gz WZZBGZUBEXAFQM-HNNXBMFYSA-N 2 0 367.472 3.305 20 0 FGADRP C[C@H](OC[C@@H](O)C[NH2+]CC[C@@H]1CCC[N@H+](C)C1)c1ccc(Cl)cc1 ZINC000584464668 507359482 /nfs/dbraw/zinc/35/94/82/507359482.db2.gz CSXBGSNNFFSPQQ-BXWFABGCSA-N 2 0 354.922 3.100 20 0 FGADRP CC[NH+](CC)CCn1ccc2cc(NC(=O)[C@@H]3CCCC[N@@H+]3C)ccc21 ZINC000606359977 507373815 /nfs/dbraw/zinc/37/38/15/507373815.db2.gz CZHJXUOMYRHWEV-FQEVSTJZSA-N 2 0 356.514 3.406 20 0 FGADRP CCC[NH+]1CCC([NH2+]CCc2ccc(I)cc2)CC1 ZINC000595094531 507387800 /nfs/dbraw/zinc/38/78/00/507387800.db2.gz LODOOMWVTCJFOJ-UHFFFAOYSA-N 2 0 372.294 3.298 20 0 FGADRP CSC1(C[NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)CC[NH+](C)CC1 ZINC000584559562 507410731 /nfs/dbraw/zinc/41/07/31/507410731.db2.gz WUCYGKZMVCHUOG-NJDAHSKKSA-N 3 0 373.610 3.314 20 0 FGADRP CC[NH+](CC)Cc1ccccc1CNC(=O)N[C@H](C)C1CC[NH+](C)CC1 ZINC000606627309 507457565 /nfs/dbraw/zinc/45/75/65/507457565.db2.gz GKSHPJWHKDOYLX-QGZVFWFLSA-N 2 0 360.546 3.058 20 0 FGADRP Cc1ccc([C@@H](CNC(=O)N2CC[N@@H+](C)C[C@@H]2C(C)C)[NH+]2CCCC2)cc1 ZINC000606662075 507473849 /nfs/dbraw/zinc/47/38/49/507473849.db2.gz MAZQZGAFDJGXMT-NHCUHLMSSA-N 2 0 372.557 3.114 20 0 FGADRP C[C@@H](NC(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1)C1CC[NH+](C)CC1 ZINC000606692342 507483317 /nfs/dbraw/zinc/48/33/17/507483317.db2.gz QAHFPHYLRRLVCQ-MSOLQXFVSA-N 2 0 372.557 3.242 20 0 FGADRP CC[N@@H+]1CC[C@@H](CNC(=O)c2ccccc2OCC[NH+]2CCCC[C@H]2C)C1 ZINC000595407422 507483525 /nfs/dbraw/zinc/48/35/25/507483525.db2.gz RUAAOFUDKBCUSZ-MOPGFXCFSA-N 2 0 373.541 3.011 20 0 FGADRP CC[NH+](CC)CCN(Cc1ccccc1)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000606703736 507489863 /nfs/dbraw/zinc/48/98/63/507489863.db2.gz BTJTVJLSJBIHGW-OAQYLSRUSA-N 2 0 372.557 3.024 20 0 FGADRP CC[N@H+](C)Cc1cccc(C[NH2+]Cc2cc(C(=O)OC)c3n2CCCC3)c1 ZINC000598633792 507526227 /nfs/dbraw/zinc/52/62/27/507526227.db2.gz OHEUAULJLPWRPI-UHFFFAOYSA-N 2 0 369.509 3.353 20 0 FGADRP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)[C@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000614726070 507636645 /nfs/dbraw/zinc/63/66/45/507636645.db2.gz WHKRLBQUGSNOLT-HJNYFJLDSA-N 2 0 369.553 3.026 20 0 FGADRP Cc1ccccc1[C@H](CC(C)C)NC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000607244249 507668560 /nfs/dbraw/zinc/66/85/60/507668560.db2.gz PGOBHDLXANRKIU-FQEVSTJZSA-N 2 0 362.562 3.217 20 0 FGADRP CCC[N@H+](C)CC(=O)N(CC[NH+]1CCCC1)Cc1ccc(Cl)cc1 ZINC000607340035 507693862 /nfs/dbraw/zinc/69/38/62/507693862.db2.gz SFSLCYALZHWQLE-UHFFFAOYSA-N 2 0 351.922 3.106 20 0 FGADRP O=C([C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000588101517 507762332 /nfs/dbraw/zinc/76/23/32/507762332.db2.gz CEOQEZPIINDEGO-CTNGQTDRSA-N 2 0 373.516 3.125 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccc(C(F)F)cc1 ZINC000588106091 507763956 /nfs/dbraw/zinc/76/39/56/507763956.db2.gz DGQUEMOEZRKFPD-KRWDZBQOSA-N 2 0 353.457 3.112 20 0 FGADRP CC[C@@H]1CN(C(=O)NCc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)CC[C@@H]1[NH3+] ZINC000669121473 568069627 /nfs/dbraw/zinc/06/96/27/568069627.db2.gz BHDXGRVJJJGCQH-UIFIKXQLSA-N 2 0 372.557 3.187 20 0 FGADRP c1cc(-c2nn[nH]n2)sc1C[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000826514920 608530438 /nfs/dbraw/zinc/53/04/38/608530438.db2.gz HKOGVMOVDISBBA-UHFFFAOYSA-N 2 0 360.531 3.016 20 0 FGADRP C[C@H]([NH2+]CCCC[NH+]1CCC(C)CC1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824955929 609328171 /nfs/dbraw/zinc/32/81/71/609328171.db2.gz PIFKHEVDHAEYKO-HNNXBMFYSA-N 2 0 360.481 3.169 20 0 FGADRP CCc1cccc(NC(=S)N(CCC[NH+](C)C)CCC[NH+](C)C)c1 ZINC000052509658 695923435 /nfs/dbraw/zinc/92/34/35/695923435.db2.gz JIYDVXWQXWLFHH-UHFFFAOYSA-N 2 0 350.576 3.151 20 0 FGADRP CCC[NH+]1CCN(c2ccccc2C[NH2+]C[C@H](O)c2ccsc2)CC1 ZINC000088727820 700381028 /nfs/dbraw/zinc/38/10/28/700381028.db2.gz NMCKBZJJFZAKOB-FQEVSTJZSA-N 2 0 359.539 3.103 20 0 FGADRP C[C@H]([NH2+]CCN1CC[NH+](Cc2ccccc2)CC1)c1ccnc(Cl)c1 ZINC000159346182 705220747 /nfs/dbraw/zinc/22/07/47/705220747.db2.gz NJWJQEJBWDOGTK-KRWDZBQOSA-N 2 0 358.917 3.203 20 0 FGADRP C[C@@H]1C[C@@H](C)C[NH+](CCC[NH2+]C2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000177221931 705613690 /nfs/dbraw/zinc/61/36/90/705613690.db2.gz PTWYDXQHYBJQPT-IAGOWNOFSA-N 2 0 353.551 3.344 20 0 FGADRP Cc1nccn1CCCC[N@H+]1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC000179422604 705701037 /nfs/dbraw/zinc/70/10/37/705701037.db2.gz DNAAYLWKGVKLRB-KRWDZBQOSA-N 2 0 350.507 3.161 20 0 FGADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCC[C@@H]2CNC(=O)OC(C)(C)C)C1 ZINC000180458743 705740887 /nfs/dbraw/zinc/74/08/87/705740887.db2.gz HBCSVIQYIQSOFI-KZNAEPCWSA-N 2 0 353.551 3.390 20 0 FGADRP C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000180825670 705759575 /nfs/dbraw/zinc/75/95/75/705759575.db2.gz LSMHSXQDDPTAKE-RDJZCZTQSA-N 2 0 353.551 3.484 20 0 FGADRP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000182541393 705849308 /nfs/dbraw/zinc/84/93/08/705849308.db2.gz VKWQSULGWNEMGD-XYJFISCASA-N 2 0 351.535 3.238 20 0 FGADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]C[C@]2(C)CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000195201392 713549077 /nfs/dbraw/zinc/54/90/77/713549077.db2.gz MFQBKHOAIGVYSE-PXNSSMCTSA-N 2 0 353.551 3.344 20 0 FGADRP C[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C)C[NH+]1CCCC1 ZINC000237334531 713590483 /nfs/dbraw/zinc/59/04/83/713590483.db2.gz NQZZGDJOOJMVPF-OOKSDGMUSA-N 2 0 351.535 3.238 20 0 FGADRP CC[N@@H+]1CC[C@@H]([NH+](C)CC2CCN(C(=O)OC(C)(C)C)CC2)[C@@H](C)C1 ZINC000245419117 713604889 /nfs/dbraw/zinc/60/48/89/713604889.db2.gz GXMYITSHQBCNFQ-FUHWJXTLSA-N 2 0 353.551 3.296 20 0 FGADRP C[C@H](C[NH2+][C@@H]1CCC[C@@H]1CNC(=O)OC(C)(C)C)C[NH+]1CCCCC1 ZINC000301467115 713782121 /nfs/dbraw/zinc/78/21/21/713782121.db2.gz ZQKJMRMECJNNTK-KZNAEPCWSA-N 2 0 353.551 3.391 20 0 FGADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)N(C)CCCC[NH+]2CCCCC2)C1 ZINC000641784153 717929923 /nfs/dbraw/zinc/92/99/23/717929923.db2.gz RFAAWJFRSYUYRM-LJQANCHMSA-N 2 0 352.567 3.014 20 0 FGADRP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000322839819 713813590 /nfs/dbraw/zinc/81/35/90/713813590.db2.gz JMJXLCPMUTYTBE-VGUREELVSA-N 2 0 351.535 3.379 20 0 FGADRP CC(C)[NH+]1CCC([NH2+]C[C@@H](O)COc2ccc(Cl)c(Cl)c2)CC1 ZINC000387394069 713986430 /nfs/dbraw/zinc/98/64/30/713986430.db2.gz JTTPRDWBBBEXKM-CQSZACIVSA-N 2 0 361.313 3.196 20 0 FGADRP CC[N@H+](CCC1CCN(C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)CC1)CC(C)C ZINC000418567774 714010319 /nfs/dbraw/zinc/01/03/19/714010319.db2.gz BFGHQIYPLCRWIQ-RBUKOAKNSA-N 2 0 352.567 3.046 20 0 FGADRP CCC[NH+](CCC)CCCNC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000521705791 714143523 /nfs/dbraw/zinc/14/35/23/714143523.db2.gz PANFQBMHLUKKAP-LJQANCHMSA-N 2 0 352.567 3.158 20 0 FGADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCC[NH+](C(C)C)C(C)C)C1 ZINC000522077270 714168686 /nfs/dbraw/zinc/16/86/86/714168686.db2.gz YOKJXOSSMZIMKD-GOSISDBHSA-N 2 0 354.583 3.305 20 0 FGADRP C[C@@H](C(=O)Nc1cccc(Br)c1)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000524356444 714280115 /nfs/dbraw/zinc/28/01/15/714280115.db2.gz SFFDDNKEIUWDAN-ZDUSSCGKSA-N 2 0 368.319 3.050 20 0 FGADRP C[C@@H](C[NH2+]C1CCN(CC[NH+](C)C)CC1)c1ccc(C(F)(F)F)cc1 ZINC000579885800 714499696 /nfs/dbraw/zinc/49/96/96/714499696.db2.gz LHFNISXQSDIDJL-HNNXBMFYSA-N 2 0 357.464 3.425 20 0 FGADRP COc1ccc([C@@H]([NH2+]CC(C)(C)N2CC[NH+](C)CC2)C(C)C)c(F)c1 ZINC000643344515 718025709 /nfs/dbraw/zinc/02/57/09/718025709.db2.gz HWMMRLDVSVJRQF-IBGZPJMESA-N 2 0 351.510 3.147 20 0 FGADRP C[C@@H]([NH2+][C@H]1CC12CC[NH2+]CC2)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000643533848 718038163 /nfs/dbraw/zinc/03/81/63/718038163.db2.gz FXAWZOUBHNWEPL-BEFAXECRSA-N 2 0 362.539 3.196 20 0 FGADRP COc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]C[C@H]1CCCC[N@H+](C)C1 ZINC000624119931 715476591 /nfs/dbraw/zinc/47/65/91/715476591.db2.gz MUSDEQNEROJJHX-HUUCEWRRSA-N 2 0 367.921 3.387 20 0 FGADRP COCCOc1ccc([C@@H](C)[NH2+]C[C@@H]2CCCC[N@H+](C)C2)cc1OC ZINC000624121254 715477413 /nfs/dbraw/zinc/47/74/13/715477413.db2.gz RFQQIFRFBBKHSC-SJORKVTESA-N 2 0 350.503 3.103 20 0 FGADRP C[NH+](C)[C@H](CNC(=O)NC[C@H]1CC[N@@H+]1C1CCCCC1)c1cccs1 ZINC000624548435 715554309 /nfs/dbraw/zinc/55/43/09/715554309.db2.gz OSQSEEDQWVVBFR-IAGOWNOFSA-N 2 0 364.559 3.057 20 0 FGADRP C[NH+](C)C[C@H](NC(=O)N[C@H]1CC[C@H](C[NH3+])C1)c1ccc(Cl)c(Cl)c1 ZINC000627103383 715997269 /nfs/dbraw/zinc/99/72/69/715997269.db2.gz QYIWNRFJLIRBKQ-RBOXIYTFSA-N 2 0 373.328 3.023 20 0 FGADRP COCCC[C@H]([NH2+]CC1([NH3+])CCOCC1)c1ccc(Br)cc1 ZINC000629520713 716303056 /nfs/dbraw/zinc/30/30/56/716303056.db2.gz HLALQVOMAXHSAJ-INIZCTEOSA-N 2 0 371.319 3.014 20 0 FGADRP O[C@@H](C[NH2+]C[C@@H]1CCN1C1CCCCC1)COc1ccc(Cl)cc1 ZINC000629602397 716318125 /nfs/dbraw/zinc/31/81/25/716318125.db2.gz DXLZCONGBILOBH-ROUUACIJSA-N 2 0 352.906 3.076 20 0 FGADRP C[NH+](C)[C@@H](CNC(=O)N1CCC(C)([NH+]2CCCC2)CC1)c1cccs1 ZINC000630402524 716444278 /nfs/dbraw/zinc/44/42/78/716444278.db2.gz ZHGQUCATQPKEBI-INIZCTEOSA-N 2 0 364.559 3.011 20 0 FGADRP C[C@@H](Cc1ccc(Br)cc1)[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000638368563 717439802 /nfs/dbraw/zinc/43/98/02/717439802.db2.gz AKVUABVUCKUDHH-AWEZNQCLSA-N 2 0 369.347 3.205 20 0 FGADRP CCC[NH+]1CCC(C[NH2+]Cc2c(C(F)(F)F)nc3n2CCCC3)CC1 ZINC000638563363 717465872 /nfs/dbraw/zinc/46/58/72/717465872.db2.gz LYEUTGKTMIYLRT-UHFFFAOYSA-N 2 0 358.452 3.450 20 0 FGADRP CC(C)[N@@H+]1CCCC[C@@H]1Cn1cc([C@@H](N)c2ccc(Cl)cc2F)nn1 ZINC000641167103 717869850 /nfs/dbraw/zinc/86/98/50/717869850.db2.gz BMMXZLPLTJHWJI-KDOFPFPSSA-N 2 0 365.884 3.382 20 0 FGADRP O[C@H](C[NH2+]CC1CC[NH+](Cc2ccccc2Cl)CC1)C(F)(F)F ZINC000644548811 718121774 /nfs/dbraw/zinc/12/17/74/718121774.db2.gz FAOKJKXKMYPTFO-OAHLLOKOSA-N 2 0 350.812 3.065 20 0 FGADRP C[C@H]([NH2+][C@@H]1CC[C@@](O)(C(F)(F)F)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000644554944 718123321 /nfs/dbraw/zinc/12/33/21/718123321.db2.gz RVJRNTYRHKPINL-LXZKKBNFSA-N 2 0 360.420 3.124 20 0 FGADRP COc1ccc(Br)cc1C1([NH2+]C[C@@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000647552688 718367432 /nfs/dbraw/zinc/36/74/32/718367432.db2.gz QWIDERSOMPWLGP-CHWSQXEVSA-N 2 0 353.304 3.425 20 0 FGADRP Brc1cncc([C@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)C2CC2)c1 ZINC000647797059 718378144 /nfs/dbraw/zinc/37/81/44/718378144.db2.gz WQEVKUCERQKODH-NSNWQYSKSA-N 2 0 350.304 3.273 20 0 FGADRP Brc1cccc(N2CC[C@H]([NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@@H]4C3)C2)c1 ZINC000647795250 718378145 /nfs/dbraw/zinc/37/81/45/718378145.db2.gz MFKMCVDURLUCRS-WTTBNOFXSA-N 2 0 364.331 3.006 20 0 FGADRP Brc1cccc2[nH]cc(CC[NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@@H]4C3)c21 ZINC000647798867 718378468 /nfs/dbraw/zinc/37/84/68/718378468.db2.gz YLFROMBPTAXLTO-VHDGCEQUSA-N 2 0 362.315 3.451 20 0 FGADRP CC[C@H](NC(=O)C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1)c1ccc(Cl)cc1 ZINC000647970683 718390610 /nfs/dbraw/zinc/39/06/10/718390610.db2.gz WBJYRDRXFJCTCW-MJGOQNOKSA-N 2 0 363.933 3.229 20 0 FGADRP CC(C)([NH3+])CCC(=O)N(CC[NH+]1CCCC1)Cc1ccc(Cl)cc1 ZINC000648153048 718401648 /nfs/dbraw/zinc/40/16/48/718401648.db2.gz AEOKIINJSDIZES-UHFFFAOYSA-N 2 0 351.922 3.282 20 0 FGADRP COc1ccc(C[N@@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)c(Cl)c1OC ZINC000650706344 718716765 /nfs/dbraw/zinc/71/67/65/718716765.db2.gz IZFNDOKZXDROJL-QRTARXTBSA-N 2 0 368.905 3.076 20 0 FGADRP CC[N@H+](CCCNC(=O)N(C)C[C@@H]1CCC[NH+](C)C1)C1CCCCC1 ZINC000651220570 718784187 /nfs/dbraw/zinc/78/41/87/718784187.db2.gz MBCLTIJXZBLQQT-GOSISDBHSA-N 2 0 352.567 3.014 20 0 FGADRP CCC[N@H+](C)[C@H](CNC(=O)NCCC1(C[NH3+])CC1)c1ccc(Cl)cc1 ZINC000652191352 718921831 /nfs/dbraw/zinc/92/18/31/718921831.db2.gz RYJQLSLGISTXLF-QGZVFWFLSA-N 2 0 366.937 3.151 20 0 FGADRP c1cn(-c2cc[nH+]c(N3CCC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@@H]43)c2)cn1 ZINC001164629612 719106574 /nfs/dbraw/zinc/10/65/74/719106574.db2.gz SWAPGAQODLAZLK-CTNGQTDRSA-N 2 0 359.477 3.368 20 0 FGADRP O=C(Nc1ccc(SCC[NH+]2CCCC2)cc1)[C@H]1C[C@]12CCC[NH2+]C2 ZINC000655486354 719298168 /nfs/dbraw/zinc/29/81/68/719298168.db2.gz SOFJTSCUVBQRSP-QUCCMNQESA-N 2 0 359.539 3.203 20 0 FGADRP CC[NH+](CC)[C@H](CNC1CC[NH+](C[C@H]2CCCO2)CC1)c1ccsc1 ZINC000655688709 719325940 /nfs/dbraw/zinc/32/59/40/719325940.db2.gz BNDXBZCGZMNMMR-WOJBJXKFSA-N 2 0 365.587 3.364 20 0 FGADRP CC[NH+](CC)[C@@H](CNC1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccsc1 ZINC000655688706 719326067 /nfs/dbraw/zinc/32/60/67/719326067.db2.gz BNDXBZCGZMNMMR-PMACEKPBSA-N 2 0 365.587 3.364 20 0 FGADRP Cc1cc(OC[C@@H](O)C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)c(C(C)C)cc1Cl ZINC000656153065 719366042 /nfs/dbraw/zinc/36/60/42/719366042.db2.gz NEFNYFSLPGSIFK-BBWFWOEESA-N 2 0 368.949 3.441 20 0 FGADRP [NH3+][C@@H]1CCC[C@H]([NH2+]CC2(c3cccc(Br)c3)CCOCC2)C1 ZINC000656197746 719373004 /nfs/dbraw/zinc/37/30/04/719373004.db2.gz GMDJKXIPFDTFGV-SJORKVTESA-N 2 0 367.331 3.357 20 0 FGADRP Cc1nn2c(C[NH+]3CCC([C@H]4CCC[NH2+]C4)CC3)c(C(C)C)nc2s1 ZINC000656787283 719470763 /nfs/dbraw/zinc/47/07/63/719470763.db2.gz WJJHZOJLHAGAFD-INIZCTEOSA-N 2 0 361.559 3.434 20 0 FGADRP COCCC1(C[NH2+]CC2CC[NH+](C3CCOCC3)CC2)CCCCC1 ZINC000657537426 719668306 /nfs/dbraw/zinc/66/83/06/719668306.db2.gz KQBGERXSADSWQT-UHFFFAOYSA-N 2 0 352.563 3.454 20 0 FGADRP CC(C)[C@@H](Cc1ccc(Br)cc1)[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000657843404 719719970 /nfs/dbraw/zinc/71/99/70/719719970.db2.gz CHWKAKMYMUIZLK-QZTJIDSGSA-N 2 0 369.347 3.063 20 0 FGADRP CC(C)[C@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1cc(F)cc(Br)c1 ZINC000657888205 719725239 /nfs/dbraw/zinc/72/52/39/719725239.db2.gz PIMSBSQUHZLWCV-INIZCTEOSA-N 2 0 373.310 3.332 20 0 FGADRP COc1cc([C@@H](C)[NH2+]CC2CC[NH+](C3CCOCC3)CC2)ccc1F ZINC000658067968 719751053 /nfs/dbraw/zinc/75/10/53/719751053.db2.gz SZZMEHILMJVBLI-OAHLLOKOSA-N 2 0 350.478 3.376 20 0 FGADRP O=C1Nc2ccccc2S[C@H]1CC[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000659957589 719963321 /nfs/dbraw/zinc/96/33/21/719963321.db2.gz VGQYTZABHOHIPU-LPHOPBHVSA-N 2 0 359.539 3.297 20 0 FGADRP O=C1Nc2ccccc2S[C@@H]1CC[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000659957591 719963464 /nfs/dbraw/zinc/96/34/64/719963464.db2.gz VGQYTZABHOHIPU-VQIMIIECSA-N 2 0 359.539 3.297 20 0 FGADRP COc1ccc(Cl)cc1C[C@@H]1CCC[N@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662258317 720406013 /nfs/dbraw/zinc/40/60/13/720406013.db2.gz ZKCKSCSGPDMKMN-MAUKXSAKSA-N 2 0 364.917 3.124 20 0 FGADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@@H+]2CCSc2ccc(F)cc2F)C1 ZINC000662284219 720409960 /nfs/dbraw/zinc/40/99/60/720409960.db2.gz MDIMAQNVPYWDJV-DJIMGWMZSA-N 2 0 356.482 3.418 20 0 FGADRP C[C@H](C(=O)NCc1ccccc1Cl)[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662290751 720410353 /nfs/dbraw/zinc/41/03/53/720410353.db2.gz JLEAKVBWOPURRC-WBVHZDCISA-N 2 0 363.933 3.056 20 0 FGADRP CC[C@H]([NH2+]C)C(=O)NC[C@H](c1ccc(C(F)(F)F)cc1)[NH+](CC)CC ZINC000662412047 720426098 /nfs/dbraw/zinc/42/60/98/720426098.db2.gz HIAZUQSEMQQSAW-JKSUJKDBSA-N 2 0 359.436 3.203 20 0 FGADRP O=C(Nc1cccc(CC[NH+]2CCCC2)c1)c1cc2c(s1)CC[NH2+]C2 ZINC000662509119 720436794 /nfs/dbraw/zinc/43/67/94/720436794.db2.gz BBBCYBWKYWOFBP-UHFFFAOYSA-N 2 0 355.507 3.284 20 0 FGADRP C[NH+](C)C[C@H](NC(=O)C[C@@H]1[NH2+]Cc2ccccc21)c1ccc(Cl)cc1 ZINC000662532311 720438864 /nfs/dbraw/zinc/43/88/64/720438864.db2.gz PUJZPQLQJRJCGR-OALUTQOASA-N 2 0 357.885 3.294 20 0 FGADRP C[NH+](C)C[C@H](NC(=O)C[C@H]1[NH2+]Cc2ccccc21)c1ccc(Cl)cc1 ZINC000662532310 720438946 /nfs/dbraw/zinc/43/89/46/720438946.db2.gz PUJZPQLQJRJCGR-MOPGFXCFSA-N 2 0 357.885 3.294 20 0 FGADRP CCOc1cc[nH+]c(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)c1 ZINC001164838055 720540637 /nfs/dbraw/zinc/54/06/37/720540637.db2.gz NTCSGWNWXPVVFI-NLWGTHIKSA-N 2 0 369.513 3.055 20 0 FGADRP CCOc1cc[nH+]c(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)c1 ZINC001164838056 720540936 /nfs/dbraw/zinc/54/09/36/720540936.db2.gz NTCSGWNWXPVVFI-QWFCFKBJSA-N 2 0 369.513 3.055 20 0 FGADRP Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@@H]2[NH2+]CC[C@@H]([NH3+])C(C)C)cc1 ZINC000665282171 720750247 /nfs/dbraw/zinc/75/02/47/720750247.db2.gz SGJNNKBJFIPTLJ-CEXWTWQISA-N 2 0 352.544 3.043 20 0 FGADRP CCSc1ccccc1[C@@H](C)[NH2+]C1CCN(C(=O)CCC[NH2+]C)CC1 ZINC000665287292 720750250 /nfs/dbraw/zinc/75/02/50/720750250.db2.gz HLHFTOPFCZSDEP-MRXNPFEDSA-N 2 0 363.571 3.440 20 0 FGADRP Brc1ccc(C[NH2+][C@H]2CCC[NH2+]CC2)cc1Br ZINC000666856454 720991701 /nfs/dbraw/zinc/99/17/01/720991701.db2.gz IUQGXRZWPAHNIS-NSHDSACASA-N 2 0 362.109 3.443 20 0 FGADRP Brc1cccc(-c2c[nH]c(C[NH2+][C@@H]3CC34CC[NH2+]CC4)n2)c1 ZINC000666953702 721004699 /nfs/dbraw/zinc/00/46/99/721004699.db2.gz FOLZCOPSSWKEEY-OAHLLOKOSA-N 2 0 361.287 3.071 20 0 FGADRP Clc1ccc(OC[C@@H]2CCCO2)c(C[NH2+][C@H]2CC23CC[NH2+]CC3)c1 ZINC000666953957 721004884 /nfs/dbraw/zinc/00/48/84/721004884.db2.gz LUNQSKAIGFMGAT-WMZOPIPTSA-N 2 0 350.890 3.130 20 0 FGADRP Cc1ncsc1-c1ccc(C[N@@H+](C)CCCN(C)CC[NH+](C)C)cc1 ZINC000668176228 721249980 /nfs/dbraw/zinc/24/99/80/721249980.db2.gz NXCZBDQXJVBDHI-UHFFFAOYSA-N 2 0 360.571 3.434 20 0 FGADRP Cc1cccc(N(c2cc(C[NH+](C)C)ccn2)[C@@H]2CO[C@]3(CC[NH2+]C3)C2)c1 ZINC001164777830 721329367 /nfs/dbraw/zinc/32/93/67/721329367.db2.gz RHKQDOHFUYIZJM-RBBKRZOGSA-N 2 0 366.509 3.111 20 0 FGADRP CCC[N@H+](C)[C@H](CNC(=O)N[C@@H]1CCC[NH2+]CC1)c1ccc(Cl)cc1 ZINC000669583623 721469016 /nfs/dbraw/zinc/46/90/16/721469016.db2.gz LKESMJXGPIHAHE-QZTJIDSGSA-N 2 0 366.937 3.164 20 0 FGADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]C[C@H](CO)c1ccc(Cl)cc1 ZINC000673616815 721668288 /nfs/dbraw/zinc/66/82/88/721668288.db2.gz KNJXOQKXIUFXSB-QGZVFWFLSA-N 2 0 356.857 3.095 20 0 FGADRP C[N@@H+]1CCC[C@@H]2C[NH+](C[C@@H](O)COc3ccc(Cl)c(Cl)c3)CC[C@H]21 ZINC000675734149 721771144 /nfs/dbraw/zinc/77/11/44/721771144.db2.gz XPQMKPWTYFXJHJ-HBUWYVDXSA-N 2 0 373.324 3.149 20 0 FGADRP C[N@@H+]1CCC[C@@H]2C[NH+](C[C@H](O)COc3ccc(Cl)c(Cl)c3)CC[C@@H]21 ZINC000675734148 721771249 /nfs/dbraw/zinc/77/12/49/721771249.db2.gz XPQMKPWTYFXJHJ-GLJUWKHASA-N 2 0 373.324 3.149 20 0 FGADRP C[C@@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)c1nc(-c2ccccc2)cs1 ZINC000675741457 721771551 /nfs/dbraw/zinc/77/15/51/721771551.db2.gz GDGVKIRDLPISIT-MRXNPFEDSA-N 2 0 358.555 3.487 20 0 FGADRP C[N@H+](Cc1ccc(Br)cc1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000677801357 721916481 /nfs/dbraw/zinc/91/64/81/721916481.db2.gz KJGMHUKFSSUJEB-GOSISDBHSA-N 2 0 366.347 3.049 20 0 FGADRP C[N@H+](Cc1ccccc1C(F)(F)F)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000677801667 721916497 /nfs/dbraw/zinc/91/64/97/721916497.db2.gz ZDDWMPPQZFBAGH-QGZVFWFLSA-N 2 0 355.448 3.306 20 0 FGADRP CN1CC[C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000678607636 721967302 /nfs/dbraw/zinc/96/73/02/721967302.db2.gz NMCNPUBPQHXAJM-PDWMJMLSSA-N 2 0 351.897 3.441 20 0 FGADRP C[C@@H]1C[NH+](CCOc2ccc(CC[NH2+]Cc3nccs3)cc2)C[C@H]1C ZINC000678733351 721974808 /nfs/dbraw/zinc/97/48/08/721974808.db2.gz IOKNHPYNXBKQMR-IAGOWNOFSA-N 2 0 359.539 3.442 20 0 FGADRP C[NH+](C)C1CCC([NH2+][C@@H]2C[C@H]3C[C@@H](C2)N(C(=O)OC(C)(C)C)C3)CC1 ZINC000715552940 722415882 /nfs/dbraw/zinc/41/58/82/722415882.db2.gz PPZUOYYAOCFVAR-PUYXYEEKSA-N 2 0 351.535 3.237 20 0 FGADRP C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CC[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000721140144 722419750 /nfs/dbraw/zinc/41/97/50/722419750.db2.gz OOURFCFUTSIVBM-BRSBDYLESA-N 2 0 351.535 3.096 20 0 FGADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H](O)CO[C@@H](C)c2ccc(Cl)cc2)[C@H](C)C1 ZINC000749345401 722725301 /nfs/dbraw/zinc/72/53/01/722725301.db2.gz AJJZYRNJYSZGIJ-LPWQTFTOSA-N 2 0 368.949 3.441 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)/C=C/c1ccc(Cl)s1 ZINC000750734336 722779321 /nfs/dbraw/zinc/77/93/21/722779321.db2.gz DFILWRDOJJHKHP-TUPIDYKKSA-N 2 0 369.962 3.289 20 0 FGADRP C[C@H]1C[NH+](CCCC[NH2+]Cc2cnc(-c3ccncc3)s2)C[C@H](C)O1 ZINC000753367948 722895923 /nfs/dbraw/zinc/89/59/23/722895923.db2.gz LAFKZIQXSUUDCK-HOTGVXAUSA-N 2 0 360.527 3.184 20 0 FGADRP C/C(=C\c1cccc(Cl)c1)C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000759090597 722999331 /nfs/dbraw/zinc/99/93/31/722999331.db2.gz QOQNYCVGLQBJOJ-BMRADRMJSA-N 2 0 365.949 3.475 20 0 FGADRP C[C@@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)c1cc(Cl)c(N)c(Cl)c1 ZINC000760160968 723040603 /nfs/dbraw/zinc/04/06/03/723040603.db2.gz VAZBYNLYKYMLAH-OCCSQVGLSA-N 2 0 371.356 3.395 20 0 FGADRP C[NH+](C)[C@@H]1CCC[N@H+](CCC2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000763618037 723356077 /nfs/dbraw/zinc/35/60/77/723356077.db2.gz ZFSJABXKAKXIGI-GOSISDBHSA-N 2 0 353.551 3.440 20 0 FGADRP CC[NH+]1CCN(CCC[NH2+][C@@H](C)c2cc(C)c(OC)c(Cl)c2)CC1 ZINC000796697412 723650676 /nfs/dbraw/zinc/65/06/76/723650676.db2.gz XADLOGFJUJSNRS-INIZCTEOSA-N 2 0 353.938 3.335 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[C@@H]3SCCS[C@H]23)[C@H](C)C1 ZINC000773133643 723777315 /nfs/dbraw/zinc/77/73/15/723777315.db2.gz HLLYHHNYLKGNAY-MDMSPXHWSA-N 2 0 358.617 3.093 20 0 FGADRP C[C@@H]([NH2+]CCCN(C)C(=O)OC(C)(C)C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000797981650 723894915 /nfs/dbraw/zinc/89/49/15/723894915.db2.gz SDEZEVVVBYUREZ-SJORKVTESA-N 2 0 353.551 3.486 20 0 FGADRP Cc1cc(Br)cc(C[NH+]2CCC(OCC[NH+](C)C)CC2)c1 ZINC000774881128 723938295 /nfs/dbraw/zinc/93/82/95/723938295.db2.gz PTUDKGUGSHWOFH-UHFFFAOYSA-N 2 0 355.320 3.300 20 0 FGADRP C[NH+]1CCC(C[NH2+]Cc2nc3ccc(Br)cc3s2)CC1 ZINC000774991118 723949060 /nfs/dbraw/zinc/94/90/60/723949060.db2.gz MZZGCDFASYMKIP-UHFFFAOYSA-N 2 0 354.317 3.490 20 0 FGADRP Cc1cc(Br)cc(C[NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)c1 ZINC000774992825 723949346 /nfs/dbraw/zinc/94/93/46/723949346.db2.gz UVKKNPDQIMIWOZ-QGZVFWFLSA-N 2 0 355.320 3.084 20 0 FGADRP Cc1cc(Br)cc(C[NH2+]C(C)(C)CCN2CC[NH+](C)CC2)c1 ZINC000775012390 723951551 /nfs/dbraw/zinc/95/15/51/723951551.db2.gz IDQHYUQQLMLBSJ-UHFFFAOYSA-N 2 0 368.363 3.263 20 0 FGADRP COc1ccc([C@H](C)[NH2+]CC[C@@H](C)[S@@](C)=O)cc1C[NH+]1CCCCC1 ZINC000775416259 723989453 /nfs/dbraw/zinc/98/94/53/723989453.db2.gz XODVRXOLGIZVIG-LEHBWIKQSA-N 2 0 366.571 3.489 20 0 FGADRP COC(=O)N1CCC[C@H]([C@H](C)[NH2+]C2CC[NH+](C3CCCCC3)CC2)C1 ZINC000775579709 724002967 /nfs/dbraw/zinc/00/29/67/724002967.db2.gz DTLRDMLAQXLQQI-IRXDYDNUSA-N 2 0 351.535 3.240 20 0 FGADRP CC[NH+](CC)Cc1cc([C@@H](C)[NH2+]CC2([S@](C)=O)CC2)ccc1OC ZINC000799728813 724088621 /nfs/dbraw/zinc/08/86/21/724088621.db2.gz NJLURDYYBAEOPM-MYYSRTQBSA-N 2 0 352.544 3.099 20 0 FGADRP CCCCO[C@@H]1C[C@@H]([NH2+]C2CCN(C3CC[NH+](C)CC3)CC2)C1(C)C ZINC000776160175 724114807 /nfs/dbraw/zinc/11/48/07/724114807.db2.gz MKCYJDYTMGVDKS-WOJBJXKFSA-N 2 0 351.579 3.118 20 0 FGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]C[C@H](O)c2ccccc2Cl)[C@@H](C)C1 ZINC000800371727 724187980 /nfs/dbraw/zinc/18/79/80/724187980.db2.gz FILMHHAJJCRGSP-IPELMVKDSA-N 2 0 354.922 3.100 20 0 FGADRP CC(C)(C)[NH+]1CCC([NH2+]C[C@H](O)c2cccc(Br)c2)CC1 ZINC000800495750 724202954 /nfs/dbraw/zinc/20/29/54/724202954.db2.gz DRDWBMDUNHBLLX-INIZCTEOSA-N 2 0 355.320 3.335 20 0 FGADRP Cn1nc(Br)cc1C[NH2+]CCCCCCC[NH+]1CCCC1 ZINC000785455451 724913844 /nfs/dbraw/zinc/91/38/44/724913844.db2.gz HVGYPUYNPWUXNJ-UHFFFAOYSA-N 2 0 357.340 3.319 20 0 FGADRP CCC[NH+]1CCC([NH2+][C@H]2CCN(C(=O)OC(C)(C)C)CC[C@@H]2C)CC1 ZINC000788500385 725068255 /nfs/dbraw/zinc/06/82/55/725068255.db2.gz BWCIRQPEUIVSTI-WMZOPIPTSA-N 2 0 353.551 3.486 20 0 FGADRP C[C@H](C[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1C)C[NH+]1CCCC1 ZINC000788548707 725072037 /nfs/dbraw/zinc/07/20/37/725072037.db2.gz SIOOGOLXDMAFET-SQNIBIBYSA-N 2 0 353.551 3.344 20 0 FGADRP CCCC[N@H+](C)CC1CC[NH+](Cc2cnc(C3OCCO3)s2)CC1 ZINC000809546344 725246171 /nfs/dbraw/zinc/24/61/71/725246171.db2.gz RRXXRFRFANWTOT-UHFFFAOYSA-N 2 0 353.532 3.132 20 0 FGADRP CC(C)C[C@@H](C[N@@H+]1CCCC12CC[NH+](C)CC2)NC(=O)OC(C)(C)C ZINC000811494583 725369510 /nfs/dbraw/zinc/36/95/10/725369510.db2.gz YAODGOJIPFXZLB-KRWDZBQOSA-N 2 0 353.551 3.486 20 0 FGADRP C[N@@H+]1CCC[C@@]2(CC[NH+](C[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)C2)C1 ZINC000815143186 727044340 /nfs/dbraw/zinc/04/43/40/727044340.db2.gz GJQILTJMRZLCSZ-FXAWDEMLSA-N 2 0 351.535 3.051 20 0 FGADRP C[C@@H]([NH2+]C1CC[NH+](C2CCCC2)CC1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000816556545 727175434 /nfs/dbraw/zinc/17/54/34/727175434.db2.gz MGFCCHYDOJQLIL-OAHLLOKOSA-N 2 0 351.535 3.238 20 0 FGADRP C[C@@H]1C[C@H](C)N(CC(=O)Nc2ccc(SC(F)F)cc2)C[C@H]1C[NH3+] ZINC000817880203 727286863 /nfs/dbraw/zinc/28/68/63/727286863.db2.gz MCOBPYMQROZJEL-FRRDWIJNSA-N 2 0 357.470 3.245 20 0 FGADRP CC[NH+](CC)Cc1cc([C@@H](C)N[C@H]2C[NH2+]CCC2(F)F)ccc1OC ZINC000817979716 727290116 /nfs/dbraw/zinc/29/01/16/727290116.db2.gz DKBHVTPWSWRMTA-KDOFPFPSSA-N 2 0 355.473 3.185 20 0 FGADRP C[C@@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)c1cc(Cl)c(N)c(Cl)c1 ZINC000817981971 727290389 /nfs/dbraw/zinc/29/03/89/727290389.db2.gz AKNIPQJXXXMIIA-LRVUVFPRSA-N 2 0 371.356 3.443 20 0 FGADRP C[C@](O)(C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(Br)cc1F ZINC000818963629 727331293 /nfs/dbraw/zinc/33/12/93/727331293.db2.gz WCMZNTZOPAACSL-KEYYUXOJSA-N 2 0 371.294 3.012 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1CCC[NH2+]C[C@]12C[C@H]1CN(C(=O)OC(C)(C)C)C2 ZINC000823596823 729291407 /nfs/dbraw/zinc/29/14/07/729291407.db2.gz WEUBEHDAUSLGQO-UWVAXJGDSA-N 2 0 351.535 3.098 20 0 FGADRP C[C@H]1C[C@H](C[NH2+]CCC2CC[NH+](C)CC2)CCN1C(=O)OC(C)(C)C ZINC000823818731 729306600 /nfs/dbraw/zinc/30/66/00/729306600.db2.gz QLYIOWKWUJKQNW-FUHWJXTLSA-N 2 0 353.551 3.344 20 0 FGADRP C[C@@H]1C[C@@H](C[NH2+]CCC2CC[NH+](C)CC2)CCN1C(=O)OC(C)(C)C ZINC000823818730 729306650 /nfs/dbraw/zinc/30/66/50/729306650.db2.gz QLYIOWKWUJKQNW-AEFFLSMTSA-N 2 0 353.551 3.344 20 0 FGADRP C[C@@H]1C[C@@H](C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)CCN1C(=O)OC(C)(C)C ZINC000824428544 729337729 /nfs/dbraw/zinc/33/77/29/729337729.db2.gz TXBRQKUDCBQSPK-FUHIMQAGSA-N 2 0 351.535 3.050 20 0 FGADRP CC[C@@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000834508750 729808555 /nfs/dbraw/zinc/80/85/55/729808555.db2.gz QGJVHUTVIFZPAZ-KBAYOESNSA-N 2 0 351.535 3.238 20 0 FGADRP CC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000834895103 729844668 /nfs/dbraw/zinc/84/46/68/729844668.db2.gz YRKVBFWIFCJFOY-PYWTVGQWSA-N 2 0 351.535 3.379 20 0 FGADRP C[N@H+](CCCC[NH2+]Cc1ccccc1I)C1CC1 ZINC000835061262 729854312 /nfs/dbraw/zinc/85/43/12/729854312.db2.gz GQKJBWKYLGWKFQ-UHFFFAOYSA-N 2 0 358.267 3.255 20 0 FGADRP Cc1cc([C@H]([NH3+])CC(=O)N[C@@H](CCC[NH3+])c2ccccc2)cc(Cl)n1 ZINC000841856003 730281496 /nfs/dbraw/zinc/28/14/96/730281496.db2.gz KUXQSXJAQHMCFJ-SJORKVTESA-N 2 0 360.889 3.030 20 0 FGADRP COC(=O)c1cccc(-c2nc(C[N@H+](C)C3CCC([NH3+])CC3)cs2)c1 ZINC000843354869 730609754 /nfs/dbraw/zinc/60/97/54/730609754.db2.gz IJXBIWQXLYAOSS-UHFFFAOYSA-N 2 0 359.495 3.298 20 0 FGADRP COC(=O)c1ccc(-c2nc(C[N@H+](C)C3CCC([NH3+])CC3)cs2)cc1 ZINC000843354916 730610013 /nfs/dbraw/zinc/61/00/13/730610013.db2.gz LGSAYFIDTRKCDK-UHFFFAOYSA-N 2 0 359.495 3.298 20 0 FGADRP O=C(CC[N@@H+]1CCC2(C1)CC[NH2+]CC2)Nc1cccc(C(F)(F)F)c1 ZINC000843364598 730610817 /nfs/dbraw/zinc/61/08/17/730610817.db2.gz KFBPPBZFXHSFOX-UHFFFAOYSA-N 2 0 355.404 3.110 20 0 FGADRP CCOC(=O)C(F)(F)[C@@H]1CCC[C@@H]([NH2+]Cc2ccccc2C[NH2+]C)C1 ZINC000844904455 730787493 /nfs/dbraw/zinc/78/74/93/730787493.db2.gz MSPBDJSIYFFKLX-IAGOWNOFSA-N 2 0 354.441 3.253 20 0 FGADRP CC1CC[NH+](Cc2ccc(-c3noc(CC(F)(F)C[NH3+])n3)cc2)CC1 ZINC000844914650 730788998 /nfs/dbraw/zinc/78/89/98/730788998.db2.gz KYNYJJRZKKEKTF-UHFFFAOYSA-N 2 0 350.413 3.105 20 0 FGADRP CC1CC[NH+](CCCNC(=[NH2+])NCc2cccc(C(F)(F)F)c2)CC1 ZINC000849090350 731227829 /nfs/dbraw/zinc/22/78/29/731227829.db2.gz GZTLOGILAVHHJW-UHFFFAOYSA-N 2 0 356.436 3.441 20 0 FGADRP COc1ccc(Cl)cc1C[NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000850357195 731348030 /nfs/dbraw/zinc/34/80/30/731348030.db2.gz AKSGGQBCFYCIRN-LJQANCHMSA-N 2 0 360.885 3.205 20 0 FGADRP O[C@H](C[NH2+]CC1CC[NH+](CC2CC2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000853132487 731669046 /nfs/dbraw/zinc/66/90/46/731669046.db2.gz VZXJAYIKICBPER-GOSISDBHSA-N 2 0 356.432 3.450 20 0 FGADRP CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000853241458 731686720 /nfs/dbraw/zinc/68/67/20/731686720.db2.gz VMURLYDJISTQDW-FGTMMUONSA-N 2 0 351.535 3.144 20 0 FGADRP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CC23CCN(C(=O)OC(C)(C)C)CC3)CC1(C)C ZINC000858168195 732188284 /nfs/dbraw/zinc/18/82/84/732188284.db2.gz GSNYAGMGSNMVPA-JKSUJKDBSA-N 2 0 351.535 3.238 20 0 FGADRP CC[C@@H]1[C@@H]([NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)CCN1C(=O)OC(C)(C)C ZINC000858500237 732220886 /nfs/dbraw/zinc/22/08/86/732220886.db2.gz YZGQURFCVAAJCH-RZFLPCETSA-N 2 0 351.535 3.237 20 0 FGADRP C[C@H]([NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000865820241 733275595 /nfs/dbraw/zinc/27/55/95/733275595.db2.gz CEBWLRMNXCWTDO-RDJZCZTQSA-N 2 0 353.551 3.484 20 0 FGADRP [NH3+][C@H]1CC[C@H](C(=O)NCC2CC[NH+](Cc3ccccc3Cl)CC2)CC1 ZINC000870883298 733898554 /nfs/dbraw/zinc/89/85/54/733898554.db2.gz QWLGBEKXIZIENY-SAABIXHNSA-N 2 0 363.933 3.186 20 0 FGADRP C[N@@H+]1CC[C@H](CNC(=O)[C@H]2CC[C@@H]([NH3+])CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000870911039 733901474 /nfs/dbraw/zinc/90/14/74/733901474.db2.gz PYUJYBWPUIILRG-TXPWEPMLSA-N 2 0 367.896 3.106 20 0 FGADRP O=C(c1ccc(O)cc1)C1CC[NH+](Cc2cc3c(s2)CC[NH2+]C3)CC1 ZINC000873201774 735736762 /nfs/dbraw/zinc/73/67/62/735736762.db2.gz HSCUOQNBLROQNK-UHFFFAOYSA-N 2 0 356.491 3.194 20 0 FGADRP COc1ccc(OCc2nc(C[NH2+][C@H](C)C3CC[NH2+]CC3)cs2)cc1 ZINC000873220002 735739084 /nfs/dbraw/zinc/73/90/84/735739084.db2.gz FKNWIWURTVFFOM-CQSZACIVSA-N 2 0 361.511 3.208 20 0 FGADRP CN(C)Cc1cnc(C[N@@H+]2CCC[C@H](C[C@H]([NH3+])C3CCCC3)C2)s1 ZINC000873231769 735740896 /nfs/dbraw/zinc/74/08/96/735740896.db2.gz DCCZCTPOWPYDBM-QAPCUYQASA-N 2 0 350.576 3.324 20 0 FGADRP [NH3+][C@H]1C[C@@H](C[NH2+][C@H](c2cccc(Br)c2)C2CCOCC2)C1 ZINC000873249247 735744076 /nfs/dbraw/zinc/74/40/76/735744076.db2.gz JGEOTXCUPHXECE-VUCTXSBTSA-N 2 0 353.304 3.244 20 0 FGADRP Cc1ccc(OC(F)F)c([C@@H](C)[NH2+]C[C@@H]2CC3(CO2)CC[NH2+]CC3)c1 ZINC000873288713 735746719 /nfs/dbraw/zinc/74/67/19/735746719.db2.gz AUEXBAMWBWLUSI-CABCVRRESA-N 2 0 354.441 3.406 20 0 FGADRP C[C@@H]([NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2)c1nc2ccc(Cl)cc2n1C ZINC000873292574 735747146 /nfs/dbraw/zinc/74/71/46/735747146.db2.gz ULHGNWGZKJMOCH-UKRRQHHQSA-N 2 0 362.905 3.036 20 0 FGADRP COc1cc([C@H](C)[NH2+]C[C@@H]2CC3(CO2)CC[NH2+]CC3)ccc1SC ZINC000873291629 735747207 /nfs/dbraw/zinc/74/72/07/735747207.db2.gz LXTZRJDIOOMUFA-HOCLYGCPSA-N 2 0 350.528 3.226 20 0 FGADRP Clc1cccc2c1OCCC[C@@H]2[NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873291904 735747225 /nfs/dbraw/zinc/74/72/25/735747225.db2.gz NPHJYFCURSOZLE-YOEHRIQHSA-N 2 0 350.890 3.302 20 0 FGADRP Brc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CC3(CO1)CC[NH2+]CC3)CC2 ZINC000873293757 735747585 /nfs/dbraw/zinc/74/75/85/735747585.db2.gz PASKDTZOBVEKEO-WBVHZDCISA-N 2 0 365.315 3.185 20 0 FGADRP O=C(/C=C/[C@@H]1CCC[NH2+]C1)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000876948789 736167118 /nfs/dbraw/zinc/16/71/18/736167118.db2.gz PEEJLWICFIYDNZ-HQWZXOHUSA-N 2 0 359.539 3.369 20 0 FGADRP C[NH+](C)C[C@H](NC(=O)/C=C\[C@H]1CCC[NH2+]C1)c1ccc(Cl)c(Cl)c1 ZINC000877053272 736181303 /nfs/dbraw/zinc/18/13/03/736181303.db2.gz ITLUKHXSFQBBGS-BXBHMFDASA-N 2 0 370.324 3.268 20 0 FGADRP C[N@@H+]1CCC[C@@H](CC[NH2+][C@H]2C[C@H]3C[C@@H](C2)N(C(=O)OC(C)(C)C)C3)C1 ZINC000877584494 736688388 /nfs/dbraw/zinc/68/83/88/736688388.db2.gz GFXIWMUYEVIQRJ-XSLAGTTESA-N 2 0 351.535 3.096 20 0 FGADRP CSC(C)(C)CC[NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000877592717 736689935 /nfs/dbraw/zinc/68/99/35/736689935.db2.gz SDXWEBCBBJUEIS-UHFFFAOYSA-N 2 0 363.571 3.005 20 0 FGADRP CC(C)(C)OC(=O)N1CC[C@@H](CC[NH+]2CCC(C)([NH+]3CCC3)CC2)C1 ZINC000880475044 737178673 /nfs/dbraw/zinc/17/86/73/737178673.db2.gz QSESLPRLOFNLLR-QGZVFWFLSA-N 2 0 351.535 3.194 20 0 FGADRP OC1(CC[NH2+]C2CC(CF)(CF)C2)CC[NH+](Cc2ccccc2)CC1 ZINC000883343883 737555959 /nfs/dbraw/zinc/55/59/59/737555959.db2.gz DEBWAOKHLIHORA-UHFFFAOYSA-N 2 0 352.469 3.081 20 0 FGADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2CCc2ccccc2Br)C1 ZINC000883435586 737566475 /nfs/dbraw/zinc/56/64/75/737566475.db2.gz WRRBBYRSPMFGCF-NJAFHUGGSA-N 2 0 367.331 3.352 20 0 FGADRP CCC1([NH+]2CCC2)CCN(C(=O)NC[C@H](c2ccsc2)[NH+](C)C)CC1 ZINC000884049550 737628241 /nfs/dbraw/zinc/62/82/41/737628241.db2.gz WHNLKDIYTGFGAU-QGZVFWFLSA-N 2 0 364.559 3.011 20 0 FGADRP C([NH2+][C@H]1CCOC2(CCOCC2)C1)[C@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000885977136 739205734 /nfs/dbraw/zinc/20/57/34/739205734.db2.gz FFGZFSQWUPLCSF-VQTJNVASSA-N 2 0 350.547 3.349 20 0 FGADRP C([NH2+][C@@H]1CCOC2(CCOCC2)C1)[C@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000885977137 739205966 /nfs/dbraw/zinc/20/59/66/739205966.db2.gz FFGZFSQWUPLCSF-WOJBJXKFSA-N 2 0 350.547 3.349 20 0 FGADRP C[C@H]1C[NH+](CCCC[NH2+]C2CCC(C)([NH+]3CCCC3)CC2)C[C@H](C)O1 ZINC000886548054 739266678 /nfs/dbraw/zinc/26/66/78/739266678.db2.gz WOGVGBMXKIZIHA-IKJYFWGWSA-N 3 0 351.579 3.263 20 0 FGADRP C[N@@H+]1CCC[C@H](CNC(=O)N2CCCCC[C@@H]([NH3+])C2)[C@H]1c1cccs1 ZINC000891596623 739919494 /nfs/dbraw/zinc/91/94/94/739919494.db2.gz DOUVYEREMGIGHH-NUJGCVRESA-N 2 0 364.559 3.044 20 0 FGADRP C[N@H+](Cc1ccc(C(F)F)c(F)c1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000894458968 742285554 /nfs/dbraw/zinc/28/55/54/742285554.db2.gz CALNTIGCFZWPGO-MRXNPFEDSA-N 2 0 355.448 3.364 20 0 FGADRP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]C2CCC([NH+](C)C)CC2)C[C@H]1C(F)(F)F ZINC000894979745 742359622 /nfs/dbraw/zinc/35/96/22/742359622.db2.gz ZPPLTYZDRMBOCE-JREQNMATSA-N 2 0 364.452 3.359 20 0 FGADRP C[C@H]([NH2+]C1CC[NH+](C2CCCC2)CC1)C1(NC(=O)OC(C)(C)C)CC1 ZINC000903107361 743805500 /nfs/dbraw/zinc/80/55/00/743805500.db2.gz SBLAZBSTRIJEFS-HNNXBMFYSA-N 2 0 351.535 3.429 20 0 FGADRP C[C@@H]1C[N@H+](CC(=O)Nc2ccc(Cl)cc2C(F)(F)F)C[C@H]1CC[NH3+] ZINC000903494308 743856620 /nfs/dbraw/zinc/85/66/20/743856620.db2.gz BOAUOXDFFIXHKD-GHMZBOCLSA-N 2 0 363.811 3.214 20 0 FGADRP [NH3+]CC1(c2ccccc2)CC[NH+](Cc2nc(-c3ccsc3)no2)CC1 ZINC000903794127 743884840 /nfs/dbraw/zinc/88/48/40/743884840.db2.gz OOOKJBNVBFTZAT-UHFFFAOYSA-N 2 0 354.479 3.291 20 0 FGADRP C[N@H+](Cc1ccccc1)CC(C)(C)CN1CCc2sc(C[NH3+])nc2C1 ZINC000903942272 743902225 /nfs/dbraw/zinc/90/22/25/743902225.db2.gz LXXVKRNMGAQPRC-UHFFFAOYSA-N 2 0 358.555 3.118 20 0 FGADRP CC(C)c1ccccc1NC(=O)C[C@@H](C)[NH2+]C[C@H]1C[NH2+]CCC1(F)F ZINC000903955942 743904654 /nfs/dbraw/zinc/90/46/54/743904654.db2.gz CHXOTINUBJMXMY-HUUCEWRRSA-N 2 0 353.457 3.362 20 0 FGADRP CC(C)(C)OC(=O)N1CCC[C@H]([C@@H]2CCCC[N@@H+]2C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904371864 743949914 /nfs/dbraw/zinc/94/99/14/743949914.db2.gz VGFVTFVBZAKLEX-FJIDUMEYSA-N 2 0 351.535 3.225 20 0 FGADRP Cc1ccc(-c2ncc(C[NH+]3CCC4(CO[C@@H](C[NH3+])C4)CC3)s2)cc1 ZINC000904392731 743951587 /nfs/dbraw/zinc/95/15/87/743951587.db2.gz YNFXYVMSBZGOKJ-QGZVFWFLSA-N 2 0 357.523 3.448 20 0 FGADRP [NH3+]C[C@H]1CC2(CO1)CC[NH+](Cc1c(Cl)cccc1OC(F)F)CC2 ZINC000904392330 743951656 /nfs/dbraw/zinc/95/16/56/743951656.db2.gz PRACKJOVHNMGQN-GFCCVEGCSA-N 2 0 360.832 3.271 20 0 FGADRP C[C@@H]([NH3+])c1nc(-c2nc(-c3ccc(C[NH+]4CCCC4)cc3)no2)cs1 ZINC000904527546 743959948 /nfs/dbraw/zinc/95/99/48/743959948.db2.gz PQNHEQNUNGHMSN-GFCCVEGCSA-N 2 0 355.467 3.476 20 0 FGADRP C[C@@H]([NH3+])c1nc(-c2nc(-c3cccc(C[NH+]4CCCC4)c3)no2)cs1 ZINC000904576334 743962797 /nfs/dbraw/zinc/96/27/97/743962797.db2.gz JTJTVVHOYUCSIZ-GFCCVEGCSA-N 2 0 355.467 3.476 20 0 FGADRP CC1(C)CC(NC(=O)NC2CCC(C)([NH+]3CCC3)CC2)CC(C)(C)[NH2+]1 ZINC000913839168 757603781 /nfs/dbraw/zinc/60/37/81/757603781.db2.gz LFAOCUMFPVQQPO-UHFFFAOYSA-N 2 0 350.551 3.002 20 0 FGADRP CCCC[N@H+](C)CC1CCN(C(=O)NC[C@H](C)[NH+]2CCCCC2)CC1 ZINC000918124414 758305505 /nfs/dbraw/zinc/30/55/05/758305505.db2.gz NPLJNFVQRPGTFS-SFHVURJKSA-N 2 0 352.567 3.014 20 0 FGADRP CC(C)[C@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1cnc(C3CCCC3)s1)C2 ZINC000922388222 758910165 /nfs/dbraw/zinc/91/01/65/758910165.db2.gz NOGKSPHJYYJBDP-SOAMZJECSA-N 2 0 363.571 3.370 20 0 FGADRP CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3ccnc(Cl)c3Cl)C2)[C@H]1C(C)C ZINC000922395635 758914661 /nfs/dbraw/zinc/91/46/61/758914661.db2.gz XUCSLZOVPGLCDX-SZXPJGKVSA-N 2 0 372.340 3.348 20 0 FGADRP CC1([NH+]2CCCC2)CCC([NH2+]Cc2cnc(C3OCCO3)s2)CC1 ZINC000922506439 758939978 /nfs/dbraw/zinc/93/99/78/758939978.db2.gz ZXTYVNWYYAWFFB-UHFFFAOYSA-N 2 0 351.516 3.075 20 0 FGADRP Cc1nc(C[NH+]2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)sc1C(C)(C)C ZINC000923374870 759108011 /nfs/dbraw/zinc/10/80/11/759108011.db2.gz FBQZLKCWZVFZOH-RDJZCZTQSA-N 2 0 351.560 3.467 20 0 FGADRP C[C@H](c1ccccc1Br)[NH+]1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923449339 759119370 /nfs/dbraw/zinc/11/93/70/759119370.db2.gz MKZRGLOWMAXPAX-KGLIPLIRSA-N 2 0 353.304 3.340 20 0 FGADRP [NH3+]C[C@H]1CC2(CO1)CC[NH+](Cc1csc(-c3ccc(F)cc3)n1)CC2 ZINC000923448260 759119464 /nfs/dbraw/zinc/11/94/64/759119464.db2.gz AKVVBWACGRYACL-QGZVFWFLSA-N 2 0 361.486 3.279 20 0 FGADRP C[C@@H](c1ccccc1Br)[NH+]1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923449338 759119704 /nfs/dbraw/zinc/11/97/04/759119704.db2.gz MKZRGLOWMAXPAX-KBPBESRZSA-N 2 0 353.304 3.340 20 0 FGADRP [NH3+]C[C@H]1CC2(CO1)CC[NH+](Cc1coc(-c3cccc(Cl)c3)n1)CC2 ZINC000923451469 759120729 /nfs/dbraw/zinc/12/07/29/759120729.db2.gz BFPGVQJUTHXIKS-QGZVFWFLSA-N 2 0 361.873 3.325 20 0 FGADRP [NH3+]C[C@@H]1CC2(CO1)CC[NH+](Cc1cc(Cl)ccc1OC(F)F)CC2 ZINC000923449971 759120951 /nfs/dbraw/zinc/12/09/51/759120951.db2.gz RNJJHIOPIASUFK-AWEZNQCLSA-N 2 0 360.832 3.271 20 0 FGADRP [NH3+]CC[C@@H]1CC[N@H+](CCC(=O)N[C@H](c2cccs2)c2ccccc2)C1 ZINC000923486826 759129106 /nfs/dbraw/zinc/12/91/06/759129106.db2.gz KFOKQFUXUGHHME-UZLBHIALSA-N 2 0 357.523 3.015 20 0 FGADRP COc1cccc(-c2nc(C[N@@H+]3CC[C@H](C[NH3+])[C@@H](C)C3)cs2)c1OC ZINC000923498772 759132026 /nfs/dbraw/zinc/13/20/26/759132026.db2.gz PVSXTJMVQMLPJD-UONOGXRCSA-N 2 0 361.511 3.244 20 0 FGADRP C[C@H]([NH2+]Cc1cccc(CS(C)(=O)=O)c1)c1cccc(C[NH+](C)C)c1 ZINC000924886633 759411244 /nfs/dbraw/zinc/41/12/44/759411244.db2.gz XCRZSWLLDWOSLS-INIZCTEOSA-N 2 0 360.523 3.144 20 0 FGADRP C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1[NH2+][C@@H]1CCN(c3ccc(Br)cc3)C1)[NH2+]2 ZINC000925476291 759494191 /nfs/dbraw/zinc/49/41/91/759494191.db2.gz HIWITYGNVXSWAA-KGKJWKRHSA-N 2 0 364.331 3.146 20 0 FGADRP C[C@@H]([NH2+]CCCCCC1CC[NH2+]CC1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000925809412 759547731 /nfs/dbraw/zinc/54/77/31/759547731.db2.gz UYSFYMHERDVUBU-OAHLLOKOSA-N 2 0 370.534 3.440 20 0 FGADRP CCOc1ccc(Cl)cc1[C@H](C)[NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925857317 759561780 /nfs/dbraw/zinc/56/17/80/759561780.db2.gz ZKZDHLPNXGRTHR-DZGCQCFKSA-N 2 0 366.889 3.075 20 0 FGADRP CC(C)[C@@H](CSc1ccccc1)[NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925860018 759562754 /nfs/dbraw/zinc/56/27/54/759562754.db2.gz YSJKFJQDSCVJFA-FUHWJXTLSA-N 2 0 362.539 3.078 20 0 FGADRP CC(C)[C@H]([NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ccc(Cl)cc1 ZINC000925860179 759562818 /nfs/dbraw/zinc/56/28/18/759562818.db2.gz ZZZPPIDKZWOANF-IRXDYDNUSA-N 2 0 350.890 3.312 20 0 FGADRP CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+][C@@H]3CCc4c3nccc4Cl)C2)[C@H]1C(C)C ZINC000926881104 759836673 /nfs/dbraw/zinc/83/66/73/759836673.db2.gz SPHUJNBLWXGACN-GNVJSZRZSA-N 2 0 363.933 3.182 20 0 FGADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]C[C@H]2CCC3(CCOCC3)O2)CC1 ZINC000927014160 759876888 /nfs/dbraw/zinc/87/68/88/759876888.db2.gz NQQJTAPPVBPEJN-RLLQIKCJSA-N 2 0 350.547 3.347 20 0 FGADRP CC[C@@H]1[C@@H](C(=O)N[C@H](C)C2C[NH+](Cc3cc(C)sc3C)C2)CC[N@@H+]1C ZINC000969707566 762861844 /nfs/dbraw/zinc/86/18/44/762861844.db2.gz BLVKQFCZTKFDES-MDASCCDHSA-N 2 0 363.571 3.032 20 0 FGADRP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]([NH2+]Cc3csc(C)c3)C(C)(C)C2)CC[N@@H+]1C ZINC000995837300 764971735 /nfs/dbraw/zinc/97/17/35/764971735.db2.gz DBBHXKOMMOBGTA-RCCFBDPRSA-N 2 0 363.571 3.113 20 0 FGADRP Cc1ccc(C[NH2+]C2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)c(Cl)c1 ZINC000996607457 765020764 /nfs/dbraw/zinc/02/07/64/765020764.db2.gz ORJBHSIRVBVHPS-CRAIPNDOSA-N 2 0 363.933 3.069 20 0 FGADRP CC[C@@H]1[C@@H](C(=O)NCC2=CC[NH+](Cc3csc(C)c3)CC2)CC[N@@H+]1C ZINC001000706267 765235816 /nfs/dbraw/zinc/23/58/16/765235816.db2.gz ZRPHLYLZPKUAGC-RBUKOAKNSA-N 2 0 361.555 3.035 20 0 FGADRP C[C@@H]([NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1)c1ccc(F)c(Cl)c1 ZINC001020172992 765866964 /nfs/dbraw/zinc/86/69/64/765866964.db2.gz MSEANGPQYIPUAF-CCECPURYSA-N 2 0 367.896 3.117 20 0 FGADRP C[C@@H]1[C@H](C(=O)N2CCC[C@@H](C[NH2+]Cc3ccc(Cl)s3)C2)CC[N@@H+]1C ZINC001023990879 766047344 /nfs/dbraw/zinc/04/73/44/766047344.db2.gz IOHFUIIRAPISGP-IJEWVQPXSA-N 2 0 369.962 3.070 20 0 FGADRP C[C@@H]1[C@H](C(=O)N2CCC[C@@H](C[NH2+]Cc3cccc(Cl)c3)C2)CC[N@@H+]1C ZINC001023993930 766047748 /nfs/dbraw/zinc/04/77/48/766047748.db2.gz UJXRRHYUVOZWHA-HHXXYDBFSA-N 2 0 363.933 3.008 20 0 FGADRP C[C@@H]1[C@H](C(=O)NC2CCC([NH2+]Cc3cccc(Cl)c3)CC2)CC[N@@H+]1C ZINC001026496042 766074241 /nfs/dbraw/zinc/07/42/41/766074241.db2.gz GVFSHMCRXSNKOQ-YOODTLSXSA-N 2 0 363.933 3.197 20 0 FGADRP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CC[NH+](Cc3ccc(Cl)cc3)C2)CC[N@@H+]1C ZINC001028552028 766124254 /nfs/dbraw/zinc/12/42/54/766124254.db2.gz DRSIETRGODVZMX-YTQUADARSA-N 2 0 363.933 3.008 20 0 FGADRP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CC[NH+](Cc3cccc(Cl)c3)C2)CC[N@@H+]1C ZINC001033096422 766206273 /nfs/dbraw/zinc/20/62/73/766206273.db2.gz MLKIUPIWHBSPLL-GBESFXJTSA-N 2 0 363.933 3.103 20 0 FGADRP C[C@@H]([NH2+][C@@H](CC(N)=O)c1ccccc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000293555313 257380265 /nfs/dbraw/zinc/38/02/65/257380265.db2.gz FLQSRXSSCODFFR-UIFIKXQLSA-N 2 0 351.494 3.103 20 0 FGADRP Cc1cc(CN(Cc2ccccc2)[C@H]2CCC[NH2+]C2)ccc1-n1cncn1 ZINC000570801311 505584127 /nfs/dbraw/zinc/58/41/27/505584127.db2.gz KKZYBBDGKSSGLE-NRFANRHFSA-N 2 0 361.493 3.330 20 0 FGADRP C[N@@H+]1CCC[C@@H](CNC(=O)NCc2ccc(C[NH3+])cc2)[C@H]1c1cccs1 ZINC000570839862 505592586 /nfs/dbraw/zinc/59/25/86/505592586.db2.gz PEQUILKREUUNQL-HKUYNNGSSA-N 2 0 372.538 3.089 20 0 FGADRP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+]CCC(=O)Nc2cc(F)cc(F)c2)C1 ZINC000573712888 505601828 /nfs/dbraw/zinc/60/18/28/505601828.db2.gz FYAOKDUXZWVHCN-HNNXBMFYSA-N 2 0 353.457 3.251 20 0 FGADRP c1ccc(C[N@H+]2C[C@@H](C[NH2+]C[C@@H]3CCSC3)C3(C2)CCOCC3)cc1 ZINC000573746175 505609777 /nfs/dbraw/zinc/60/97/77/505609777.db2.gz PSJKFYPVVHFULD-VQTJNVASSA-N 2 0 360.567 3.258 20 0 FGADRP [NH3+]C1CCC([NH2+][C@@H](CN2CCCC2=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000573815794 505627813 /nfs/dbraw/zinc/62/78/13/505627813.db2.gz ITJDSTCRIUUJMC-JCYILVPMSA-N 2 0 369.431 3.228 20 0 FGADRP CC1CC[NH+]([C@@H](CNC(=O)c2ccccc2CC[NH3+])c2ccccc2)CC1 ZINC000568153318 505629054 /nfs/dbraw/zinc/62/90/54/505629054.db2.gz AHOVFAXXSQXUFO-QFIPXVFZSA-N 2 0 365.521 3.391 20 0 FGADRP C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)[C@H]1C[NH2+]Cc2ccccc21 ZINC000568390401 505683185 /nfs/dbraw/zinc/68/31/85/505683185.db2.gz LTTTWPYOEGLHRV-FQEVSTJZSA-N 2 0 371.912 3.117 20 0 FGADRP COc1cc(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)ccc1SC ZINC000068816981 493878705 /nfs/dbraw/zinc/87/87/05/493878705.db2.gz TYQUABVQGMYMHE-UHFFFAOYSA-N 2 0 364.555 3.351 20 0 FGADRP C[NH+]1CCN(C[C@@H]([NH2+]CC2=Cc3ccccc3OC2)c2ccccc2)CC1 ZINC000069170971 493932658 /nfs/dbraw/zinc/93/26/58/493932658.db2.gz MXCBWPLZGGTIIQ-JOCHJYFZSA-N 2 0 363.505 3.041 20 0 FGADRP O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000069178346 493933061 /nfs/dbraw/zinc/93/30/61/493933061.db2.gz WPNQZKSXNHMWHV-HXUWFJFHSA-N 2 0 367.493 3.442 20 0 FGADRP C[C@@H](CNC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000061521253 493981584 /nfs/dbraw/zinc/98/15/84/493981584.db2.gz RXXIAXXPRXZYSL-MOPGFXCFSA-N 2 0 372.557 3.202 20 0 FGADRP Fc1ccc(-c2cc(C[NH+]3CCC(C[NH+]4CCOCC4)CC3)on2)cc1 ZINC000051959600 493994513 /nfs/dbraw/zinc/99/45/13/493994513.db2.gz VDBYVTSDVIANOQ-UHFFFAOYSA-N 2 0 359.445 3.025 20 0 FGADRP COc1ccc(C[NH2+]C[C@@H]2CC[N@@H+](C(C)C)C2)cc1OCc1cccnc1 ZINC000062426957 494012321 /nfs/dbraw/zinc/01/23/21/494012321.db2.gz FRTOOTLXYBNTOC-IBGZPJMESA-N 2 0 369.509 3.489 20 0 FGADRP C[C@H]1CCC[N@H+](CCCC[NH2+]CCC(=O)Nc2cc(F)cc(F)c2)C1 ZINC000580184721 505698492 /nfs/dbraw/zinc/69/84/92/505698492.db2.gz QFAYQJKTYOJJOW-HNNXBMFYSA-N 2 0 353.457 3.395 20 0 FGADRP COc1ccnc(N2CCN(Cc3[nH+]c(C(C)C)n4ccccc34)CC2)c1 ZINC000571290569 505699522 /nfs/dbraw/zinc/69/95/22/505699522.db2.gz NYQIKKZUEMKXOI-UHFFFAOYSA-N 2 0 365.481 3.184 20 0 FGADRP CC(C)c1ccc([C@@H]([NH3+])CNC(=O)N2CCc3ccccc3[C@@H]2C[NH3+])cc1 ZINC000580190939 505700024 /nfs/dbraw/zinc/70/00/24/505700024.db2.gz BILGDBLFFCYJNU-SFTDATJTSA-N 2 0 366.509 3.078 20 0 FGADRP CC(C)(CNC(=O)N1CCC[N@H+](Cc2ccccc2)CC1)[NH+]1CCCCC1 ZINC000053964773 494179685 /nfs/dbraw/zinc/17/96/85/494179685.db2.gz VPONAGLQWXQWEP-UHFFFAOYSA-N 2 0 372.557 3.168 20 0 FGADRP CCC[N@@H+]1CC[C@@H](CNC(=O)NC[C@@H](c2ccccc2)[NH+](CC)CC)C1 ZINC000054510333 494242342 /nfs/dbraw/zinc/24/23/42/494242342.db2.gz DNMFMDXAQGJNJU-ICSRJNTNSA-N 2 0 360.546 3.101 20 0 FGADRP COc1ccc([C@@H](CNC(=O)C2CC[NH+](C(C)C)CC2)[NH+]2CCCC2)cc1 ZINC000072799678 494252171 /nfs/dbraw/zinc/25/21/71/494252171.db2.gz GFQJHLGORVIEQI-OAQYLSRUSA-N 2 0 373.541 3.069 20 0 FGADRP C[C@@H](CNC(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+]1CCCC[C@H]1C ZINC000042929577 494252451 /nfs/dbraw/zinc/25/24/51/494252451.db2.gz FDIQVKXFAFQRPM-MOPGFXCFSA-N 2 0 372.557 3.213 20 0 FGADRP C[NH+](C)[C@H](CNC(=O)NCCC[NH2+]C1CCCCC1)c1cccc(F)c1 ZINC000043037994 494259254 /nfs/dbraw/zinc/25/92/54/494259254.db2.gz WSJLJJLVDYHSNU-LJQANCHMSA-N 2 0 364.509 3.040 20 0 FGADRP C[C@@H]([NH2+]CC1CCN(c2cc[nH+]cc2)CC1)c1ccc([S@](C)=O)cc1 ZINC000089214712 494274228 /nfs/dbraw/zinc/27/42/28/494274228.db2.gz HLYWMWVLJGVMJE-PUAOIOHZSA-N 2 0 357.523 3.386 20 0 FGADRP CC[NH+](CC)CCOc1ccccc1NC(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000066158832 494280357 /nfs/dbraw/zinc/28/03/57/494280357.db2.gz GJRPKQMMFCOJTJ-SFHVURJKSA-N 2 0 374.529 3.109 20 0 FGADRP CCC[NH+]1CCC(N(C)C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000066176138 494283586 /nfs/dbraw/zinc/28/35/86/494283586.db2.gz WOWLQLVEWUJZKN-UHFFFAOYSA-N 2 0 372.557 3.298 20 0 FGADRP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+]([C@H]3CCN(c4ccc(Cl)c(Cl)c4)C3=O)C[C@@H]21 ZINC000568512103 505712842 /nfs/dbraw/zinc/71/28/42/505712842.db2.gz FXPGKAWOLMONGM-KVPRVUCYSA-N 2 0 368.308 3.158 20 0 FGADRP C[C@@H](CNC(=O)Nc1cccc(C[NH+](C)C)c1)[N@@H+]1CCc2ccccc2C1 ZINC000044276721 494346494 /nfs/dbraw/zinc/34/64/94/494346494.db2.gz ZDQCHWFJHJWHCO-KRWDZBQOSA-N 2 0 366.509 3.317 20 0 FGADRP C[C@H]1C[C@@H]([NH2+]CCC(=O)Nc2cccc(C(F)(F)F)c2)CN1C1CC1 ZINC000574192001 505715656 /nfs/dbraw/zinc/71/56/56/505715656.db2.gz QMRNLUOWMZVHCG-SWLSCSKDSA-N 2 0 355.404 3.249 20 0 FGADRP C[N@H+](CCCC[NH2+]CCC(=O)Nc1cccc(Br)c1)C1CC1 ZINC000574193447 505716464 /nfs/dbraw/zinc/71/64/64/505716464.db2.gz WAQMJVAPCFXPRL-UHFFFAOYSA-N 2 0 368.319 3.242 20 0 FGADRP CC[NH+](CC)Cc1ccc(CNC(=O)NCCC2CC[NH+](CC)CC2)cc1 ZINC000073541735 494387209 /nfs/dbraw/zinc/38/72/09/494387209.db2.gz AFPKURGEYQFDAB-UHFFFAOYSA-N 2 0 374.573 3.450 20 0 FGADRP CC[NH2+]CC1CC[NH+](Cc2csc(-c3cccc(C(=O)OC)c3)n2)CC1 ZINC000574206642 505720346 /nfs/dbraw/zinc/72/03/46/505720346.db2.gz ZQWDRRWOOFPXDT-UHFFFAOYSA-N 2 0 373.522 3.418 20 0 FGADRP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1ccc2c(c1)OCCCO2 ZINC000090523139 494478639 /nfs/dbraw/zinc/47/86/39/494478639.db2.gz PYJVVCBKOYFVOK-DBVUQKKJSA-N 2 0 374.525 3.266 20 0 FGADRP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N2CC[C@H]([NH+](C)Cc3ccccc3)C2)C1 ZINC000074104302 494482023 /nfs/dbraw/zinc/48/20/23/494482023.db2.gz WVOJFJFJMKFZSQ-SFTDATJTSA-N 2 0 372.557 3.023 20 0 FGADRP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000079613000 494493161 /nfs/dbraw/zinc/49/31/61/494493161.db2.gz QWGXQMCMBDAAJY-SFHVURJKSA-N 2 0 352.567 3.014 20 0 FGADRP CCc1nc(C[NH2+]CCCC[NH+]2CCN(Cc3ccccc3)CC2)cs1 ZINC000067213794 494495384 /nfs/dbraw/zinc/49/53/84/494495384.db2.gz IDPMEXNXOMZGCU-UHFFFAOYSA-N 2 0 372.582 3.393 20 0 FGADRP CC[C@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)c1ccc2c(c1)OCCO2 ZINC000090937185 494504782 /nfs/dbraw/zinc/50/47/82/494504782.db2.gz UFCCPUJZUJIOAC-SFHVURJKSA-N 2 0 371.481 3.034 20 0 FGADRP C[C@@H](CNC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)C[NH+]1CCCCC1 ZINC000079690550 494509418 /nfs/dbraw/zinc/50/94/18/494509418.db2.gz BSAHPVDXNGASGD-IBGZPJMESA-N 2 0 372.557 3.204 20 0 FGADRP CSC1(C[NH2+]Cc2ccc(-c3cnn(C)c3)s2)CC[NH+](C)CC1 ZINC000577431398 505725416 /nfs/dbraw/zinc/72/54/16/505725416.db2.gz WUHZLYXOLSNSGK-UHFFFAOYSA-N 2 0 350.557 3.066 20 0 FGADRP C[NH+](C)Cc1c2ccccc2oc1C(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000074323721 494519894 /nfs/dbraw/zinc/51/98/94/494519894.db2.gz CVWXJHSWYAGEFV-KRWDZBQOSA-N 2 0 369.509 3.298 20 0 FGADRP CC(C)N(Cc1ccccc1)C(=O)[C@H](C)[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000056523342 494519996 /nfs/dbraw/zinc/51/99/96/494519996.db2.gz UADFQCNNUDLLSE-IBGZPJMESA-N 2 0 359.558 3.476 20 0 FGADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NCC1CC[NH+](CC)CC1 ZINC000067418129 494536809 /nfs/dbraw/zinc/53/68/09/494536809.db2.gz BYIVBDQDOOTTEP-UHFFFAOYSA-N 2 0 360.546 3.012 20 0 FGADRP CCCC[N@H+](C)CC1CCN(C(=O)N[C@@H](C)C[NH+]2CCCCC2)CC1 ZINC000079985159 494562342 /nfs/dbraw/zinc/56/23/42/494562342.db2.gz OLUSFYSPNUSQCI-SFHVURJKSA-N 2 0 352.567 3.014 20 0 FGADRP COc1ccc([C@H]([NH2+]Cc2ccnc(N3CC[NH+](C)CC3)c2)C(C)C)cc1 ZINC000091286926 494578457 /nfs/dbraw/zinc/57/84/57/494578457.db2.gz VPOHTWYOZGSDFG-JOCHJYFZSA-N 2 0 368.525 3.329 20 0 FGADRP C[C@@H](C[NH2+][C@@H](c1cccc(C(F)(F)F)c1)C1CC1)N1CC[NH+](C)CC1 ZINC000091333418 494584492 /nfs/dbraw/zinc/58/44/92/494584492.db2.gz NYCUPTLKMYRVRB-KBXCAEBGSA-N 2 0 355.448 3.382 20 0 FGADRP CC[NH+](CC)Cc1ccc(CNC(=O)NC[C@@H](C)[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000107717537 494592114 /nfs/dbraw/zinc/59/21/14/494592114.db2.gz XQBPVHDRDDOCLM-RBUKOAKNSA-N 2 0 374.573 3.448 20 0 FGADRP CC(C)[NH+](CCCNC(=O)NC[C@@H](c1cccs1)[NH+](C)C)C(C)C ZINC000074804146 494604096 /nfs/dbraw/zinc/60/40/96/494604096.db2.gz MHIUOVLQNQTILZ-INIZCTEOSA-N 2 0 354.564 3.159 20 0 FGADRP CC[N@H+](C)Cc1cccc(CNC(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)c1 ZINC000107841522 494609790 /nfs/dbraw/zinc/60/97/90/494609790.db2.gz YBAHIYOMFLCLHW-NRFANRHFSA-N 2 0 372.557 3.298 20 0 FGADRP C[NH+](CCCNC(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1)C1CCCCC1 ZINC000074851418 494623513 /nfs/dbraw/zinc/62/35/13/494623513.db2.gz FUQCUPHQKPSJCP-LJQANCHMSA-N 2 0 364.578 3.014 20 0 FGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000126157860 494656708 /nfs/dbraw/zinc/65/67/08/494656708.db2.gz SUSFXKSKQKHYGU-LJQANCHMSA-N 2 0 361.555 3.091 20 0 FGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@@H]2CCCOc3cc(C)c(C)cc32)CC1 ZINC000121252483 494668024 /nfs/dbraw/zinc/66/80/24/494668024.db2.gz ZBWBEQUCLAHGKU-LAUBAEHRSA-N 2 0 359.558 3.380 20 0 FGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H]2CCCOc3cc(C)c(C)cc32)CC1 ZINC000121252621 494668217 /nfs/dbraw/zinc/66/82/17/494668217.db2.gz ZBWBEQUCLAHGKU-DYESRHJHSA-N 2 0 359.558 3.380 20 0 FGADRP C[NH+](C)Cc1ccccc1CNC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000121312899 494694768 /nfs/dbraw/zinc/69/47/68/494694768.db2.gz ONJNZPJICVXLMZ-QFIPXVFZSA-N 2 0 365.521 3.419 20 0 FGADRP C[C@H]1CCC[N@H+](CCNC(=O)N2CCC[NH+](CC3CCCCC3)CC2)C1 ZINC000108410321 494700643 /nfs/dbraw/zinc/70/06/43/494700643.db2.gz DBDJYVIIMXLCLK-IBGZPJMESA-N 2 0 364.578 3.016 20 0 FGADRP Cc1ccc(C[NH2+]Cc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)s1 ZINC000108420670 494703509 /nfs/dbraw/zinc/70/35/09/494703509.db2.gz RDKSOVUKPBNLDL-SFHVURJKSA-N 2 0 357.523 3.044 20 0 FGADRP c1cnn(Cc2cccc(C[NH2+][C@@H]3C[C@@]4(CC[NH2+]C4)Oc4ccccc43)c2)c1 ZINC000568617128 505737760 /nfs/dbraw/zinc/73/77/60/505737760.db2.gz JOJHQRSLMFISNX-FYYLOGMGSA-N 2 0 374.488 3.277 20 0 FGADRP C[C@H]([NH2+]CC1CC[NH+](C)CC1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000126389068 494734180 /nfs/dbraw/zinc/73/41/80/494734180.db2.gz LIGTWTDUFMOXAH-INIZCTEOSA-N 2 0 364.555 3.395 20 0 FGADRP C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)NC[C@@H]2CCC[NH+](C)C2)C1 ZINC000108549653 494735225 /nfs/dbraw/zinc/73/52/25/494735225.db2.gz INQNZZAAIKMCOM-OALUTQOASA-N 2 0 372.557 3.060 20 0 FGADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)NC[C@@H]2CCC[NH+](C)C2)cc1 ZINC000108549560 494735411 /nfs/dbraw/zinc/73/54/11/494735411.db2.gz VGNPQBPWTBIBBT-RXVVDRJESA-N 2 0 372.557 3.202 20 0 FGADRP C[C@@H](C(=O)Nc1nccs1)[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821608 494762727 /nfs/dbraw/zinc/76/27/27/494762727.db2.gz YUFHGXAGRZBXCZ-HNNXBMFYSA-N 2 0 373.526 3.104 20 0 FGADRP COC(=O)c1ccoc1C[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821116 494763081 /nfs/dbraw/zinc/76/30/81/494763081.db2.gz WFIXSSVAJXMIMQ-UHFFFAOYSA-N 2 0 357.454 3.200 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)NC3CC[NH+](C)CC3)cc2)C1 ZINC000047886756 494787638 /nfs/dbraw/zinc/78/76/38/494787638.db2.gz CKIKBZCSIKFXSC-HDICACEKSA-N 2 0 372.557 3.058 20 0 FGADRP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000108812517 494791206 /nfs/dbraw/zinc/79/12/06/494791206.db2.gz WMWOMEOCHMCJTL-TWMKSMIVSA-N 2 0 366.575 3.016 20 0 FGADRP Cc1nccn1-c1ccc([C@H](C)[NH2+]CCc2nnc3n2CCCCC3)cc1 ZINC000126635818 494807002 /nfs/dbraw/zinc/80/70/02/494807002.db2.gz HSYPYXWGLMPLNW-INIZCTEOSA-N 2 0 364.497 3.392 20 0 FGADRP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)[C@H]2CCC[C@@H]21 ZINC000568642558 505743262 /nfs/dbraw/zinc/74/32/62/505743262.db2.gz PYRRKWLHTIPGOT-FSSWDIPSSA-N 3 0 357.542 3.124 20 0 FGADRP COc1ccc([C@@H](C)[NH2+]Cc2ccc(CN3CC[NH+](C)CC3)cc2)cc1F ZINC000126672959 494817338 /nfs/dbraw/zinc/81/73/38/494817338.db2.gz WQCJYCHOOGZIEF-QGZVFWFLSA-N 2 0 371.500 3.433 20 0 FGADRP COc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(CN3CC[NH+](C)CC3)cc1)CC2 ZINC000126675273 494817386 /nfs/dbraw/zinc/81/73/86/494817386.db2.gz WDPYZTWKEDFJEB-QHCPKHFHSA-N 2 0 365.521 3.220 20 0 FGADRP Cc1cc(Cl)c2c(c1)[C@@H]([NH2+][C@H](C)CN1CC[NH+](C)CC1)CCCO2 ZINC000126677601 494817504 /nfs/dbraw/zinc/81/75/04/494817504.db2.gz NSNOUSISXBPWLG-QAPCUYQASA-N 2 0 351.922 3.088 20 0 FGADRP COc1cc(C[N@H+](C)CC2CC[NH+](C)CC2)ccc1OCc1ccncc1 ZINC000093088732 494824816 /nfs/dbraw/zinc/82/48/16/494824816.db2.gz UBWIYKKJYZQGDB-UHFFFAOYSA-N 2 0 369.509 3.443 20 0 FGADRP C[C@H](C(=O)Nc1ccc(N2CCCC2)cc1)[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000121636477 494827468 /nfs/dbraw/zinc/82/74/68/494827468.db2.gz DFJRRPUUHUSZLK-GOSISDBHSA-N 2 0 372.557 3.278 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2cccc(NC(C)=O)c2)[C@H](C)C1 ZINC000121641632 494828121 /nfs/dbraw/zinc/82/81/21/494828121.db2.gz UKAUEDRXJPLGLO-WWMYMODYSA-N 2 0 361.530 3.433 20 0 FGADRP Cc1ccc2[nH]c(C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)cc2c1C ZINC000116762137 494849297 /nfs/dbraw/zinc/84/92/97/494849297.db2.gz LVEURDWMSKBBIP-UHFFFAOYSA-N 2 0 358.530 3.130 20 0 FGADRP CSC1(C[NH2+][C@H]2C[C@H](C)CN(Cc3ccccc3)C2)CC[NH+](C)CC1 ZINC000580384339 505745964 /nfs/dbraw/zinc/74/59/64/505745964.db2.gz QVBLGWVHHYTITO-ICSRJNTNSA-N 2 0 361.599 3.314 20 0 FGADRP COc1cccc(NC(=O)CN2CCC(CCC[NH+]3CCCC3)CC2)c1 ZINC000121896017 494884084 /nfs/dbraw/zinc/88/40/84/494884084.db2.gz GPCNBGGXWRRNGQ-UHFFFAOYSA-N 2 0 359.514 3.222 20 0 FGADRP CC(C)OCC[NH+]1CCN(CC(C)(C)C[N@H+](C)Cc2ccccc2)CC1 ZINC000093586668 494901975 /nfs/dbraw/zinc/90/19/75/494901975.db2.gz VTMSYTOSYJMLIY-UHFFFAOYSA-N 2 0 361.574 3.187 20 0 FGADRP c1cn(-c2ccc(C[NH+]3CCC(CCC[NH+]4CCCC4)CC3)cn2)cn1 ZINC000122082330 494920229 /nfs/dbraw/zinc/92/02/29/494920229.db2.gz ASDALVMKILZMJI-UHFFFAOYSA-N 2 0 353.514 3.355 20 0 FGADRP C[NH+](C)[C@H](CNC1CC[NH+](CCc2ccccc2)CC1)Cc1ccccc1 ZINC000132876112 494936908 /nfs/dbraw/zinc/93/69/08/494936908.db2.gz VTODGBCSBFIJQR-DEOSSOPVSA-N 2 0 365.565 3.456 20 0 FGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@H]2CCCOc3cc4c(cc32)CCC4)CC1 ZINC000122252363 494947609 /nfs/dbraw/zinc/94/76/09/494947609.db2.gz AMLGTIJJGJGKBH-AVRDEDQJSA-N 2 0 371.569 3.252 20 0 FGADRP Cc1nc2ccccc2n1CCC(=O)NCc1cccc(Cn2ccnc2)c1 ZINC000127476071 494950104 /nfs/dbraw/zinc/95/01/04/494950104.db2.gz RTLHGEKJMYUZEF-UHFFFAOYSA-N 2 0 373.460 3.296 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H](N[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C)[C@H](C)C1 ZINC000122301665 494954566 /nfs/dbraw/zinc/95/45/66/494954566.db2.gz AZVFMPRMALJRAY-DWQJTFDBSA-N 2 0 373.585 3.234 20 0 FGADRP Cc1cc(Cl)cc2c1OCCC[C@@H]2[NH2+][C@@H](C)CN1CC[NH+](C)CC1 ZINC000122313784 494956376 /nfs/dbraw/zinc/95/63/76/494956376.db2.gz PITGMUTXLDSUTM-YJBOKZPZSA-N 2 0 351.922 3.088 20 0 FGADRP C[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)c1ccc(-n2ccnc2)cc1 ZINC000133041717 494959613 /nfs/dbraw/zinc/95/96/13/494959613.db2.gz YTYJCPJBCZYHGF-QZTJIDSGSA-N 2 0 354.498 3.024 20 0 FGADRP CCCCOc1ccc([C@H](C)[NH2+]C[C@H](C)N2CC[NH+](C)CC2)cc1OC ZINC000127750767 494991617 /nfs/dbraw/zinc/99/16/17/494991617.db2.gz PMXOSTKPQJHAGT-ROUUACIJSA-N 2 0 363.546 3.161 20 0 FGADRP C[NH+](C)CCC1CC[NH+](C[C@H](O)c2ccccc2Br)CC1 ZINC000133459452 495016768 /nfs/dbraw/zinc/01/67/68/495016768.db2.gz WXQFBTGKZJZVSG-KRWDZBQOSA-N 2 0 355.320 3.146 20 0 FGADRP Cc1ccccc1C1CC([NH2+]Cc2ccc(C(=O)NCC[NH+](C)C)cc2)C1 ZINC000128155541 495052972 /nfs/dbraw/zinc/05/29/72/495052972.db2.gz RIJVXMNGLRAWHW-UHFFFAOYSA-N 2 0 365.521 3.322 20 0 FGADRP C[NH+](C)CCCC1CC[NH+](C[C@@H](O)CO[C@H]2CCCc3ccccc32)CC1 ZINC000123119738 495083722 /nfs/dbraw/zinc/08/37/22/495083722.db2.gz IOGNDXRVXVZYBW-GGAORHGYSA-N 2 0 374.569 3.495 20 0 FGADRP CCC[NH+]1CCC(C[NH2+]Cc2ccccc2N(C)C2CC[NH+](C)CC2)CC1 ZINC000133940877 495083808 /nfs/dbraw/zinc/08/38/08/495083808.db2.gz UUXZMEXOJUMPRX-UHFFFAOYSA-N 3 0 372.601 3.429 20 0 FGADRP C[C@@H](CNC(=O)NC[C@@H](c1cccs1)[NH+](C)C)[N@H+](C)Cc1ccccc1 ZINC000111505141 495083913 /nfs/dbraw/zinc/08/39/13/495083913.db2.gz ZHLZNQIFFKUGKY-WMZOPIPTSA-N 2 0 374.554 3.171 20 0 FGADRP CCOc1ccc(NC(=O)[C@H](C)[NH+]2CCC(CCC[NH+](C)C)CC2)cc1 ZINC000123164429 495089819 /nfs/dbraw/zinc/08/98/19/495089819.db2.gz UCYAGGJUDDMPQM-KRWDZBQOSA-N 2 0 361.530 3.466 20 0 FGADRP C[C@@H](C(=O)NC[C@@H]1CCC[NH+](Cc2cccs2)C1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000101664722 495090233 /nfs/dbraw/zinc/09/02/33/495090233.db2.gz VMLNAAAXGKXYOH-MHORFTMASA-N 2 0 363.571 3.338 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)N1CCC([NH2+]C(C)C)CC1)c1ccsc1 ZINC000111816297 495115622 /nfs/dbraw/zinc/11/56/22/495115622.db2.gz FXALRZQCUUAMPK-SFHVURJKSA-N 2 0 366.575 3.303 20 0 FGADRP C[C@H]([NH2+]C(C)(C)CNC(=O)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1)c1ccccc1 ZINC000129063355 495190531 /nfs/dbraw/zinc/19/05/31/495190531.db2.gz JJVCRLMYDHBLJJ-SOLBZPMBSA-N 2 0 358.530 3.040 20 0 FGADRP CC(C)[NH+](CCCNC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)C(C)C ZINC000129302876 495226091 /nfs/dbraw/zinc/22/60/91/495226091.db2.gz ZOEHOHPKYYGFQL-AZUAARDMSA-N 2 0 364.578 3.154 20 0 FGADRP C[NH+]1CCN(c2cc(C[NH2+][C@H]3CCC[C@@H](C(F)(F)F)C3)ccn2)CC1 ZINC000129312311 495226552 /nfs/dbraw/zinc/22/65/52/495226552.db2.gz FQTBKPVJXLZION-CVEARBPZSA-N 2 0 356.436 3.044 20 0 FGADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1ccc(NC(=O)c2cccnc2)cc1 ZINC000129426782 495243955 /nfs/dbraw/zinc/24/39/55/495243955.db2.gz CYKZQVNWYNXNJL-JXXFODFXSA-N 2 0 352.482 3.152 20 0 FGADRP O=C(c1cccc(C[NH+]2CCCC2)c1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000112919300 495257525 /nfs/dbraw/zinc/25/75/25/495257525.db2.gz NPLAFJRSPRNUQE-UHFFFAOYSA-N 2 0 355.526 3.230 20 0 FGADRP C[NH+](C)CCNC(=O)c1cccc(C[NH2+][C@H]2CCC[C@@H](C(F)(F)F)C2)c1 ZINC000129655671 495276366 /nfs/dbraw/zinc/27/63/66/495276366.db2.gz AMOXHMJYDGNCHK-SJORKVTESA-N 2 0 371.447 3.189 20 0 FGADRP COc1cc(-c2noc(CN3CC[C@H](C)[C@H](n4ccnc4)C3)n2)ccc1C ZINC000129659158 495276455 /nfs/dbraw/zinc/27/64/55/495276455.db2.gz KTRJBOUUGGSCMV-WMLDXEAASA-N 2 0 367.453 3.333 20 0 FGADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)Nc1cccc(Oc2ccccc2)c1 ZINC000119986799 495282890 /nfs/dbraw/zinc/28/28/90/495282890.db2.gz NGEQMFMSKAJFLU-UHFFFAOYSA-N 2 0 370.497 3.436 20 0 FGADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000124506110 495298997 /nfs/dbraw/zinc/29/89/97/495298997.db2.gz WWPAWKMESDBCEW-FGZHOGPDSA-N 2 0 371.569 3.383 20 0 FGADRP CC1CC[NH+](C2CCC(NC(=O)N[C@@H]3CCC[C@H]([NH+](C)C)C3)CC2)CC1 ZINC000129915806 495313699 /nfs/dbraw/zinc/31/36/99/495313699.db2.gz JOSJNQXPESXWES-NBDWZHNGSA-N 2 0 364.578 3.202 20 0 FGADRP C[C@H]([NH2+]C1(CNC(=O)N2CC[C@H](C[NH+](C)C)C2)CCCC1)c1ccccc1 ZINC000129992513 495324657 /nfs/dbraw/zinc/32/46/57/495324657.db2.gz FFEVDAWKYBUHEC-RBUKOAKNSA-N 2 0 372.557 3.243 20 0 FGADRP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)C1 ZINC000105129875 495340173 /nfs/dbraw/zinc/34/01/73/495340173.db2.gz ZBDGJOLBJQTWGL-FPOVZHCZSA-N 2 0 372.557 3.243 20 0 FGADRP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000571625009 505776080 /nfs/dbraw/zinc/77/60/80/505776080.db2.gz RYRKCXTXKCUGRL-OALUTQOASA-N 2 0 372.557 3.331 20 0 FGADRP Cc1nccn1CCCC[N@@H+]1CCC[C@H](CNC(=O)c2ccccc2)C1 ZINC000124994663 495375278 /nfs/dbraw/zinc/37/52/78/495375278.db2.gz JGLVUJOMXPUFDJ-LJQANCHMSA-N 2 0 354.498 3.114 20 0 FGADRP C[C@@H](C[C@H](O)c1ccco1)[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000130465429 495396039 /nfs/dbraw/zinc/39/60/39/495396039.db2.gz BEJZOMXUDMTHDY-UWJYYQICSA-N 2 0 371.525 3.412 20 0 FGADRP Cc1cc([C@@H](C)[NH2+]Cc2ccc(N3CC[NH+](C)CC3)nc2)cc(C)c1F ZINC000130539420 495407557 /nfs/dbraw/zinc/40/75/57/495407557.db2.gz GPRNFSVKBGETMR-QGZVFWFLSA-N 2 0 356.489 3.440 20 0 FGADRP COc1ccc([C@@H](O)C[NH2+][C@@H](C)c2ccc(OCC[NH+](C)C)cc2)cc1 ZINC000125355759 495431385 /nfs/dbraw/zinc/43/13/85/495431385.db2.gz IRLDLSPOXAMQSL-KKSFZXQISA-N 2 0 358.482 3.020 20 0 FGADRP C[NH+](C)CCC1CCN(C(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000114834424 495433442 /nfs/dbraw/zinc/43/34/42/495433442.db2.gz LPFSORAUIUUCEY-NRFANRHFSA-N 2 0 372.557 3.024 20 0 FGADRP CC[NH+](CC)Cc1ccccc1CNC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000137537198 495444558 /nfs/dbraw/zinc/44/45/58/495444558.db2.gz OQGDEYFDVIQPSS-UHFFFAOYSA-N 2 0 374.573 3.448 20 0 FGADRP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)C1 ZINC000120808536 495462558 /nfs/dbraw/zinc/46/25/58/495462558.db2.gz UNAKZGNMPHTEQC-HNNXBMFYSA-N 2 0 352.404 3.323 20 0 FGADRP C[C@@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1ccc(Br)cc1F ZINC000125805446 495501225 /nfs/dbraw/zinc/50/12/25/495501225.db2.gz IMCNKCAEYKGKII-CYBMUJFWSA-N 2 0 372.326 3.265 20 0 FGADRP C[C@@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)c1ccc(NS(C)(=O)=O)cc1 ZINC000125917309 495518314 /nfs/dbraw/zinc/51/83/14/495518314.db2.gz ODLDNMMEBKGQFL-PBHICJAKSA-N 2 0 355.548 3.075 20 0 FGADRP C[C@@H](NC(=O)NCCC[NH+]1CCC(C)CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182375838 495538415 /nfs/dbraw/zinc/53/84/15/495538415.db2.gz VQXXHOVZEKNNMH-RTBURBONSA-N 2 0 364.578 3.061 20 0 FGADRP CC[N@H+](CCNC(=O)N(C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1)C(C)C ZINC000158595077 495546701 /nfs/dbraw/zinc/54/67/01/495546701.db2.gz VQAQAPOTVQKYSS-CTNGQTDRSA-N 2 0 374.573 3.411 20 0 FGADRP CC[NH+]1CCN(CCC[NH2+][C@@H](C)c2ccc(F)cc2Br)CC1 ZINC000154253517 495558145 /nfs/dbraw/zinc/55/81/45/495558145.db2.gz CWEZASKDXRZFBV-AWEZNQCLSA-N 2 0 372.326 3.266 20 0 FGADRP C[N@@H+]1CCC[C@@H]2C[NH+](CC3CCN(C(=O)OC(C)(C)C)CC3)CC[C@H]21 ZINC000158694999 495569863 /nfs/dbraw/zinc/56/98/63/495569863.db2.gz HEEFJBAPYDYUSS-QZTJIDSGSA-N 2 0 351.535 3.050 20 0 FGADRP CC[C@H]1CN(C(=O)NC2CC[NH+](C(C)C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000185453508 495583015 /nfs/dbraw/zinc/58/30/15/495583015.db2.gz UCJQSNKDJNESST-NRFANRHFSA-N 2 0 372.557 3.165 20 0 FGADRP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](CC2CCC(C(F)(F)F)CC2)CC1 ZINC000185510332 495604836 /nfs/dbraw/zinc/60/48/36/495604836.db2.gz WOGPOYHCHKLVOF-DAWZGUTISA-N 2 0 361.496 3.457 20 0 FGADRP C[N@@H+]1CC[C@@H](NC(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)[C@@H]1c1ccccc1 ZINC000179474770 495606730 /nfs/dbraw/zinc/60/67/30/495606730.db2.gz ORJBFWMSXFFIND-HBMCJLEFSA-N 2 0 370.541 3.092 20 0 FGADRP C[C@H](NC(=O)NC1CC[NH+](C(C)(C)C)CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182547271 495608572 /nfs/dbraw/zinc/60/85/72/495608572.db2.gz ZGTKOUDRMYGSKJ-IRXDYDNUSA-N 2 0 364.578 3.202 20 0 FGADRP CCCC[N@H+](C)CC1CCN(C(=O)NC[C@H]2CC[NH+](CC(C)C)C2)CC1 ZINC000150762389 495624986 /nfs/dbraw/zinc/62/49/86/495624986.db2.gz JXTFQXBFXBMSNO-HXUWFJFHSA-N 2 0 366.594 3.118 20 0 FGADRP C[C@H](NC(=O)[C@H](C)N1CC[C@H](C[NH+]2CCCC2)C1)c1cc2ccccc2o1 ZINC000150817271 495643570 /nfs/dbraw/zinc/64/35/70/495643570.db2.gz DQIAGSVMKMLBCX-OKZBNKHCSA-N 2 0 369.509 3.416 20 0 FGADRP CCOc1ccc([C@H](C)[NH2+]Cc2ccnc(N3CC[NH+](C)CC3)c2)cc1 ZINC000159207999 495683549 /nfs/dbraw/zinc/68/35/49/495683549.db2.gz CZHAKCICUZHZCO-KRWDZBQOSA-N 2 0 354.498 3.083 20 0 FGADRP C[NH+](C)Cc1ccc(CNC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)cc1F ZINC000154648328 495683684 /nfs/dbraw/zinc/68/36/84/495683684.db2.gz DXKBMPQJKTYALM-SFHVURJKSA-N 2 0 361.505 3.158 20 0 FGADRP CC[NH+](CC)Cc1cccc(CNC(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000173782719 495691862 /nfs/dbraw/zinc/69/18/62/495691862.db2.gz OPOMJUHBLQAZGK-XLIONFOSSA-N 2 0 360.546 3.153 20 0 FGADRP C[C@@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1ccccc1OC(F)(F)F ZINC000150953304 495692320 /nfs/dbraw/zinc/69/23/20/495692320.db2.gz XJNWPWVNXQZZDE-CQSZACIVSA-N 2 0 359.436 3.262 20 0 FGADRP C[C@@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)[C@@H](C)c1nc2ccccc2s1 ZINC000150976055 495698966 /nfs/dbraw/zinc/69/89/66/495698966.db2.gz UYOVTQMNSGQLDB-HZPDHXFCSA-N 2 0 360.571 3.404 20 0 FGADRP CC[NH+](CC)Cc1cc([C@@H](C)[NH2+][C@H]2CCc3nc(C)nn3C2)ccc1OC ZINC000182776356 495699289 /nfs/dbraw/zinc/69/92/89/495699289.db2.gz KLQCQOSZMOGIHO-BEFAXECRSA-N 2 0 371.529 3.103 20 0 FGADRP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)C1 ZINC000176616525 495722464 /nfs/dbraw/zinc/72/24/64/495722464.db2.gz BSAURWKHKXRHFG-HSALFYBXSA-N 2 0 364.578 3.157 20 0 FGADRP O=C(NCc1ccc(C[NH+]2CCCC2)cc1)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000577829966 505800157 /nfs/dbraw/zinc/80/01/57/505800157.db2.gz YTQIMIUOHHWXFA-UHFFFAOYSA-N 2 0 364.493 3.250 20 0 FGADRP Fc1ccc(SCC[NH+]2CCC(OCC[NH+]3CCCC3)CC2)cc1 ZINC000173948378 495759755 /nfs/dbraw/zinc/75/97/55/495759755.db2.gz RYNLXSLMRZEJJX-UHFFFAOYSA-N 2 0 352.519 3.495 20 0 FGADRP CC[NH+](CC)Cc1ccccc1C[NH2+][C@H](Cc1ccc(Cl)cc1)C(N)=O ZINC000185878873 495762023 /nfs/dbraw/zinc/76/20/23/495762023.db2.gz VZMQDAYBSKWZMH-HXUWFJFHSA-N 2 0 373.928 3.368 20 0 FGADRP C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)C2CC[NH+](C)CC2)C1 ZINC000173992901 495780334 /nfs/dbraw/zinc/78/03/34/495780334.db2.gz SKUXDAXXBQITDH-ROUUACIJSA-N 2 0 357.542 3.123 20 0 FGADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+]C1CCN(c2ccc(C(C)(C)C)cc2)CC1 ZINC000154960872 495785526 /nfs/dbraw/zinc/78/55/26/495785526.db2.gz XLKKTNYRSIBXHV-IBGZPJMESA-N 2 0 372.601 3.178 20 0 FGADRP C[C@@H]1CC[C@@H](C)[N@H+](CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)C1 ZINC000174014989 495788663 /nfs/dbraw/zinc/78/86/63/495788663.db2.gz LBSADRCOCXRHMD-IAGOWNOFSA-N 2 0 361.555 3.294 20 0 FGADRP C/C=C/COc1ccc(CC[C@H](C)[NH2+][C@H](C)CN2CC[NH+](C)CC2)cc1 ZINC000154995875 495798143 /nfs/dbraw/zinc/79/81/43/495798143.db2.gz AEVGXHOTYQNEDZ-MNVMYWNISA-N 2 0 359.558 3.188 20 0 FGADRP COC(=O)c1ccc(-c2nc(C[N@H+]3CC[C@H]4C[NH2+]C[C@H]4CC3)cs2)cc1 ZINC000577850833 505804978 /nfs/dbraw/zinc/80/49/78/505804978.db2.gz OLHOQSDMVOFHCG-CALCHBBNSA-N 2 0 371.506 3.028 20 0 FGADRP c1nc(-c2ccccc2)[nH]c1C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000179987950 495812534 /nfs/dbraw/zinc/81/25/34/495812534.db2.gz LEBHVMLXBROTCS-UHFFFAOYSA-N 2 0 354.498 3.154 20 0 FGADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H]1CCCOc2c(Cl)c(Cl)ccc21 ZINC000155082314 495828897 /nfs/dbraw/zinc/82/88/97/495828897.db2.gz YBVIFVPDOPWSTR-CJNGLKHVSA-N 2 0 372.340 3.433 20 0 FGADRP CC[C@@H]([NH2+][C@@H](C)CN1CC[NH+](C)CC1)c1cccc(Br)c1 ZINC000155094827 495833769 /nfs/dbraw/zinc/83/37/69/495833769.db2.gz TWDKZXXGRKOCJA-WMLDXEAASA-N 2 0 354.336 3.126 20 0 FGADRP O=C(Nc1cccc(F)c1)C1CC[NH+](Cc2ccc3c(c2)C[NH2+]CC3)CC1 ZINC000580653566 505806876 /nfs/dbraw/zinc/80/68/76/505806876.db2.gz LFYXABNJNSSGDQ-UHFFFAOYSA-N 2 0 367.468 3.322 20 0 FGADRP CC[C@H]([NH2+][C@@H](C)CN1CC[NH+](C)CC1)c1ccccc1Br ZINC000155145734 495852032 /nfs/dbraw/zinc/85/20/32/495852032.db2.gz DTWGDHXXKPKKOD-YOEHRIQHSA-N 2 0 354.336 3.126 20 0 FGADRP COc1ccsc1[C@@H](C)[NH2+]Cc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000186117436 495861870 /nfs/dbraw/zinc/86/18/70/495861870.db2.gz SQHKPTNMAUSWBE-MRXNPFEDSA-N 2 0 359.539 3.355 20 0 FGADRP CC[NH+]1CCN([C@@H](C)C[NH2+]Cc2ccc(-c3ccccc3OC)cc2)CC1 ZINC000174269714 495889323 /nfs/dbraw/zinc/88/93/23/495889323.db2.gz LAAGWNVOWZHJDG-IBGZPJMESA-N 2 0 367.537 3.478 20 0 FGADRP O=C(NCc1ccccc1C[NH+]1CCCC1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000171598496 495943244 /nfs/dbraw/zinc/94/32/44/495943244.db2.gz MGVLFXAKBLHHQG-OAQYLSRUSA-N 2 0 370.541 3.052 20 0 FGADRP Cc1c([C@H](C)[NH2+]CC2CC[NH+](CCO)CC2)cnn1-c1cc(C)ccc1C ZINC000151793140 495950146 /nfs/dbraw/zinc/95/01/46/495950146.db2.gz AIJSCLFUFNBSEE-SFHVURJKSA-N 2 0 370.541 3.152 20 0 FGADRP Cc1cccc(NC[C@@H]2CC[N@@H+]([C@@H](C)C(=O)NC3CCC(C)CC3)C2)[nH+]1 ZINC000171649799 495967917 /nfs/dbraw/zinc/96/79/17/495967917.db2.gz FIVFKVBQJAVUDN-FTJRRQOFSA-N 2 0 358.530 3.207 20 0 FGADRP C[C@H]1C[C@@H]([NH2+]CC2CC[NH+](CCO)CC2)c2cccc(Br)c21 ZINC000151857885 495970897 /nfs/dbraw/zinc/97/08/97/495970897.db2.gz MTFSJXCZAUFJEP-SUMWQHHRSA-N 2 0 367.331 3.291 20 0 FGADRP C[NH+]1CCC(N(CCO)Cc2ccc(-c3c(F)cccc3F)o2)CC1 ZINC000155497688 495974498 /nfs/dbraw/zinc/97/44/98/495974498.db2.gz ZOYWMLCTSIKVJZ-UHFFFAOYSA-N 2 0 350.409 3.113 20 0 FGADRP C[NH+](C)CCNC(=O)C1CC[NH+](Cc2ccc(-c3ccccc3)cc2)CC1 ZINC000171658504 495976379 /nfs/dbraw/zinc/97/63/79/495976379.db2.gz UZFUJUADHSCLSV-UHFFFAOYSA-N 2 0 365.521 3.243 20 0 FGADRP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+](C)[C@H](C)C2(C)CC2)CC1 ZINC000177248698 495993135 /nfs/dbraw/zinc/99/31/35/495993135.db2.gz YGPUCJJJIJOREC-GOSISDBHSA-N 2 0 357.542 3.196 20 0 FGADRP COc1ccc([C@H]([NH2+]C[C@@H](C)N2CC[NH+](C)CC2)c2ccccc2)cc1 ZINC000180464145 496005991 /nfs/dbraw/zinc/00/59/91/496005991.db2.gz ROVASJCFGBTFSY-XMSQKQJNSA-N 2 0 353.510 3.010 20 0 FGADRP C[N@H+](CCNC(=O)N1CCC(CCC[NH+]2CCCC2)CC1)C1CCCC1 ZINC000155639504 496021429 /nfs/dbraw/zinc/02/14/29/496021429.db2.gz ZJEXAMMNZOFCJI-UHFFFAOYSA-N 2 0 364.578 3.158 20 0 FGADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)CC1([NH+]2CCOCC2)CCCC1 ZINC000177365938 496033103 /nfs/dbraw/zinc/03/31/03/496033103.db2.gz GWHIQTUQXIQDSA-UHFFFAOYSA-N 2 0 359.514 3.030 20 0 FGADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC2CC[NH+](CC3CC3)CC2)C1 ZINC000171832821 496057102 /nfs/dbraw/zinc/05/71/02/496057102.db2.gz KFXBYJVHCGEQAA-QGZVFWFLSA-N 2 0 364.578 3.061 20 0 FGADRP C[NH+]1CCN(c2cc(C[NH2+][C@H]3CCCCc4ccccc43)ccn2)CC1 ZINC000177427250 496058240 /nfs/dbraw/zinc/05/82/40/496058240.db2.gz VHQVDJCHSAOSHH-NRFANRHFSA-N 2 0 350.510 3.391 20 0 FGADRP COc1cc(OC)c([C@H](C)[NH2+][C@@H](C)CCN2CC[NH+](C)CC2)cc1Cl ZINC000186597623 496064651 /nfs/dbraw/zinc/06/46/51/496064651.db2.gz IYOFTGVYCLHSFT-GJZGRUSLSA-N 2 0 369.937 3.034 20 0 FGADRP Cc1nc(C)c(C[NH+]2CCC(CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)s1 ZINC000177490745 496082996 /nfs/dbraw/zinc/08/29/96/496082996.db2.gz OYWUUPYWJOUEDG-GASCZTMLSA-N 2 0 351.560 3.471 20 0 FGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccccc2-n2ccnc2)[C@H](C)C1 ZINC000152233123 496088004 /nfs/dbraw/zinc/08/80/04/496088004.db2.gz BMAPOZQDJVOWCG-UYAOXDASSA-N 2 0 356.514 3.099 20 0 FGADRP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]C3CCN(c4ncccn4)CC3)CC2)C1 ZINC000155902706 496102118 /nfs/dbraw/zinc/10/21/18/496102118.db2.gz QYMJRZRDNQFZDR-YLJYHZDGSA-N 2 0 357.546 3.078 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1CCCNC(=O)[C@@H]1C[NH2+]C[C@H]1c1ccc(Cl)cc1 ZINC000574647645 505823725 /nfs/dbraw/zinc/82/37/25/505823725.db2.gz MMXSIDRERGANHB-AYOQOUSVSA-N 2 0 363.933 3.024 20 0 FGADRP Cc1ccc(-c2n[nH]cc2C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)o1 ZINC000180797295 496150726 /nfs/dbraw/zinc/15/07/26/496150726.db2.gz HEHKTNRYMRMHIH-UHFFFAOYSA-N 2 0 372.513 3.303 20 0 FGADRP C[C@@H](NCC1(C[NH+](C)C)CCCC1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000183950490 496173378 /nfs/dbraw/zinc/17/33/78/496173378.db2.gz UDFZMGIERGOQSD-CQSZACIVSA-N 2 0 356.507 3.002 20 0 FGADRP CC(=O)NC1CCC([NH2+]C2[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000161618630 496208593 /nfs/dbraw/zinc/20/85/93/496208593.db2.gz YBTWKRNSSIGEKG-RNKVRGMHSA-N 2 0 357.542 3.180 20 0 FGADRP CC(C)N1CCC[C@H]([NH2+]Cc2ccccc2C[N@H+](C)Cc2ccco2)C1=O ZINC000175014962 496208697 /nfs/dbraw/zinc/20/86/97/496208697.db2.gz WAXWRDJIJJBZHI-NRFANRHFSA-N 2 0 369.509 3.401 20 0 FGADRP C[NH+](C)CCC1CC[NH+](C[C@H](O)Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000156298731 496209293 /nfs/dbraw/zinc/20/92/93/496209293.db2.gz OADZAKLXWSFQOX-GOSISDBHSA-N 2 0 358.448 3.273 20 0 FGADRP C[C@H]1CCc2c(F)cccc2[C@H]1[NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000177825741 496213271 /nfs/dbraw/zinc/21/32/71/496213271.db2.gz BMGPGBGFZFZVLW-AOMKIAJQSA-N 2 0 368.500 3.386 20 0 FGADRP CC[NH+](CC)Cc1ccc(CNC(=O)N2CC[C@@H](C[N@@H+](C)CC)C2)cc1 ZINC000177845980 496220951 /nfs/dbraw/zinc/22/09/51/496220951.db2.gz KSSDUTPLFXQZKE-FQEVSTJZSA-N 2 0 360.546 3.012 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)C1 ZINC000156348936 496221737 /nfs/dbraw/zinc/22/17/37/496221737.db2.gz UAHNBQHJBSNBDZ-ZCNNSNEGSA-N 2 0 364.578 3.014 20 0 FGADRP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]CCCc2nc3ccccc3n2C)C[C@@H]1C ZINC000161852745 496250247 /nfs/dbraw/zinc/25/02/47/496250247.db2.gz OGSVLEZWPCRWOE-GVDBMIGSSA-N 2 0 357.498 3.463 20 0 FGADRP COc1ccc2c(c1)[C@H]([NH2+]CCCC[NH+]1C[C@H](C)O[C@@H](C)C1)CCCO2 ZINC000178034090 496296798 /nfs/dbraw/zinc/29/67/98/496296798.db2.gz ARXQLAJSRRDHOK-ABSDTBQOSA-N 2 0 362.514 3.388 20 0 FGADRP Cc1cccc2c1[C@@H](C)C[C@H]2[NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000152962731 496309377 /nfs/dbraw/zinc/30/93/77/496309377.db2.gz WILMYYXUDLTILA-FXAWDEMLSA-N 2 0 350.510 3.480 20 0 FGADRP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)c1cc(Br)ccc1F ZINC000178070818 496315322 /nfs/dbraw/zinc/31/53/22/496315322.db2.gz VSXYNODMGHWCIA-DZGCQCFKSA-N 2 0 373.310 3.476 20 0 FGADRP C[C@@H]1CCC[C@@H]([NH+]2CCC(NCc3ccncc3OCC[NH+](C)C)CC2)C1 ZINC000571886428 505838310 /nfs/dbraw/zinc/83/83/10/505838310.db2.gz UHTZETYFDFNDHR-WIYYLYMNSA-N 2 0 374.573 3.155 20 0 FGADRP C[C@H](CNC(=O)N1CCC[N@@H+](C2CCCC2)CC1)[NH+](C)Cc1ccccc1 ZINC000172587798 496354562 /nfs/dbraw/zinc/35/45/62/496354562.db2.gz NCDIAZOSPHLZIW-LJQANCHMSA-N 2 0 372.557 3.167 20 0 FGADRP C[NH+](C)CC[C@@H](NC(=O)N1CCC[N@@H+](C2CCCC2)CC1)C(C)(C)C ZINC000172593729 496356421 /nfs/dbraw/zinc/35/64/21/496356421.db2.gz XYWZNZSZEWGBBD-GOSISDBHSA-N 2 0 352.567 3.013 20 0 FGADRP C[N@H+](Cc1ccco1)Cc1ccccc1C[NH2+]Cc1cnc2cnccn12 ZINC000156896955 496359298 /nfs/dbraw/zinc/35/92/98/496359298.db2.gz YHOLUENHLMAGNX-UHFFFAOYSA-N 2 0 361.449 3.244 20 0 FGADRP C[C@@H]([NH2+]Cc1ccc(OCC[NH+](C)C)cc1)c1ccc([S@@](C)=O)cc1 ZINC000162514576 496365651 /nfs/dbraw/zinc/36/56/51/496365651.db2.gz AHBCBFWEIQQXSR-CPJLOUKISA-N 2 0 360.523 3.215 20 0 FGADRP C[NH+](C)C1CCN(C(=O)Nc2ccc(OCC[NH+]3CCCCC3)cc2)CC1 ZINC000178200394 496367365 /nfs/dbraw/zinc/36/73/65/496367365.db2.gz LYGQMMZMUCPPDI-UHFFFAOYSA-N 2 0 374.529 3.109 20 0 FGADRP C[C@H]1C[C@@H](N(C)CC(=O)N(C)Cc2ccco2)CC[N@@H+]1Cc1ccccc1 ZINC000157079134 496401538 /nfs/dbraw/zinc/40/15/38/496401538.db2.gz NGFGKWZDPDIGKS-ICSRJNTNSA-N 2 0 369.509 3.223 20 0 FGADRP C[N@@H+]1CCC[C@@H]2C[NH+](CCC(=O)Nc3cccc(C(F)(F)F)c3)CC[C@@H]21 ZINC000162791084 496412800 /nfs/dbraw/zinc/41/28/00/496412800.db2.gz MUNZTAFGWCGYOS-PBHICJAKSA-N 2 0 369.431 3.450 20 0 FGADRP C[C@H]([NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1cnn(Cc2ccccc2)c1 ZINC000162870996 496425273 /nfs/dbraw/zinc/42/52/73/496425273.db2.gz MPFHZTOMJPLNGG-ZCNNSNEGSA-N 2 0 370.541 3.471 20 0 FGADRP C[NH+](C)Cc1c2ccccc2oc1C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000175547030 496437077 /nfs/dbraw/zinc/43/70/77/496437077.db2.gz XJUYWJYABCXRMC-UHFFFAOYSA-N 2 0 355.482 3.099 20 0 FGADRP C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+]CCC[NH+]1CCCC1 ZINC000178411810 496446837 /nfs/dbraw/zinc/44/68/37/496446837.db2.gz ILDIFSRKDZNCFX-CQSZACIVSA-N 2 0 368.319 3.242 20 0 FGADRP CCC[NH+]1CCC(N(C)C(=O)NCC[C@H](C)[N@H+](C)Cc2ccccc2)CC1 ZINC000175646757 496481693 /nfs/dbraw/zinc/48/16/93/496481693.db2.gz WMCHERLHYQARCF-IBGZPJMESA-N 2 0 374.573 3.413 20 0 FGADRP C[NH+](C)CCNC(=O)c1cccc(C[NH2+][C@@H]2CC(C)(C)c3ccccc32)c1 ZINC000178531637 496489656 /nfs/dbraw/zinc/48/96/56/496489656.db2.gz FSODEQBQSYNANE-OAQYLSRUSA-N 2 0 365.521 3.490 20 0 FGADRP O[C@@H](Cc1ccc(C(F)(F)F)cc1)C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000153546386 496493182 /nfs/dbraw/zinc/49/31/82/496493182.db2.gz HNDQDLCAOOIZNH-MJGOQNOKSA-N 2 0 370.459 3.417 20 0 FGADRP CCC[NH+]1CCC(NC(=O)NC[C@]2(C)CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000153599620 496513414 /nfs/dbraw/zinc/51/34/14/496513414.db2.gz ASHBPTFCKHWIIW-QFIPXVFZSA-N 2 0 372.557 3.215 20 0 FGADRP CC(C)CC[NH+]1CCC(CNC(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000175773243 496539305 /nfs/dbraw/zinc/53/93/05/496539305.db2.gz DFRFPSUXVJFZLJ-FQEVSTJZSA-N 2 0 366.594 3.260 20 0 FGADRP CCC[NH+]1CCC(CNC(=O)NCc2ccccc2C[N@H+](C)C(C)C)CC1 ZINC000157727511 496539685 /nfs/dbraw/zinc/53/96/85/496539685.db2.gz DIBMOLADKFBERS-UHFFFAOYSA-N 2 0 374.573 3.448 20 0 FGADRP Clc1ccc(C[C@@H]2CCC[C@H]2[NH2+]Cc2nnc(C3CC[NH2+]CC3)[nH]2)cc1 ZINC000569095198 505851807 /nfs/dbraw/zinc/85/18/07/505851807.db2.gz JUBTXEWTILUWHE-FUHWJXTLSA-N 2 0 373.932 3.426 20 0 FGADRP COCC[N@H+](C)CCCN[C@@H]1CCCOc2c(Br)cccc21 ZINC000153751616 496567448 /nfs/dbraw/zinc/56/74/48/496567448.db2.gz PGVZDNRBMARGAG-MRXNPFEDSA-N 2 0 371.319 3.221 20 0 FGADRP C[C@H](CCNC(=O)NC1CC[NH+](CC2CCCC2)CC1)[NH+]1CCCCC1 ZINC000184978996 496609351 /nfs/dbraw/zinc/60/93/51/496609351.db2.gz VAXMSUPNDYSCRD-GOSISDBHSA-N 2 0 364.578 3.205 20 0 FGADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](CCCOCCc2ccccc2)CC1 ZINC000153924376 496626082 /nfs/dbraw/zinc/62/60/82/496626082.db2.gz VXAIEXKVCSAQIY-SZPZYZBQSA-N 2 0 373.585 3.126 20 0 FGADRP COc1ccc([C@@H](C[NH3+])CN(C)C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000578073519 505855801 /nfs/dbraw/zinc/85/58/01/505855801.db2.gz OGVMQPTTYCGFRQ-NRFANRHFSA-N 2 0 367.537 3.334 20 0 FGADRP COc1ccc2c(c1)[C@H]([NH2+]C[C@@H](C)CN1CC[NH+](C)CC1)CCCS2 ZINC000187955514 496630536 /nfs/dbraw/zinc/63/05/36/496630536.db2.gz GZFKIDBBPPTWJR-VQIMIIECSA-N 2 0 363.571 3.095 20 0 FGADRP Fc1ccc(-c2nc(CN3CC[NH+](CC4CC[NH2+]CC4)CC3)cs2)cc1 ZINC000178983008 496635305 /nfs/dbraw/zinc/63/53/05/496635305.db2.gz MLCRQVQVQXCYAG-UHFFFAOYSA-N 2 0 374.529 3.066 20 0 FGADRP C[C@@H]1C[C@@H](NC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)C[N@@H+]1C1CC1 ZINC000158160002 496639968 /nfs/dbraw/zinc/63/99/68/496639968.db2.gz DOJPUTPRDRBYGW-IEBWSBKVSA-N 2 0 355.526 3.030 20 0 FGADRP OC[C@@H](Cc1ccccc1)[NH2+]C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000158221010 496653118 /nfs/dbraw/zinc/65/31/18/496653118.db2.gz TUVLWOYDAVXDGP-OAQYLSRUSA-N 2 0 358.913 3.498 20 0 FGADRP Cc1ccc2c(c1)[C@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)CCC2 ZINC000166340317 496683203 /nfs/dbraw/zinc/68/32/03/496683203.db2.gz YICMAUGJCMPZFC-OAQYLSRUSA-N 2 0 350.510 3.309 20 0 FGADRP O[C@H](Cc1ccccc1C(F)(F)F)C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000154118378 496689074 /nfs/dbraw/zinc/68/90/74/496689074.db2.gz OFHHCVFETUUOQO-NVXWUHKLSA-N 2 0 356.432 3.027 20 0 FGADRP CC(=O)Nc1ccc([C@@H](C)[NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)cc1 ZINC000182155896 496691230 /nfs/dbraw/zinc/69/12/30/496691230.db2.gz ZKWADCMPYIHWMF-NQERJWCQSA-N 2 0 359.514 3.064 20 0 FGADRP CC[NH+](CC)C[C@@H]1CC[N@H+](C[C@H](O)Cc2ccc(C(F)(F)F)cc2)C1 ZINC000154132876 496692357 /nfs/dbraw/zinc/69/23/57/496692357.db2.gz JMDOVZGDEJURNL-FUHWJXTLSA-N 2 0 358.448 3.273 20 0 FGADRP C[C@H](CC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)C1CC[NH2+]CC1 ZINC000167546812 496702850 /nfs/dbraw/zinc/70/28/50/496702850.db2.gz BQUKQVOTBIUDBL-LQWHRVPQSA-N 2 0 357.542 3.182 20 0 FGADRP CC(C)O[C@@H]1C[C@H]([NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)C1(C)C ZINC000185220483 496707807 /nfs/dbraw/zinc/70/78/07/496707807.db2.gz IUSPGAIXYIYQAI-LEWJYISDSA-N 2 0 360.542 3.325 20 0 FGADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H](C)Cc1ccc(Br)cc1 ZINC000188239537 496721752 /nfs/dbraw/zinc/72/17/52/496721752.db2.gz JJGAFPUDHHJINB-YOEHRIQHSA-N 2 0 357.336 3.327 20 0 FGADRP C[N@@H+]1CCCN(CCC[NH2+][C@H]2CCSc3ccc(Cl)cc32)CC1 ZINC000247091121 496776477 /nfs/dbraw/zinc/77/64/77/496776477.db2.gz RNTCMFIGQCKRRR-KRWDZBQOSA-N 2 0 353.963 3.494 20 0 FGADRP C[C@@H]1CCC[N@H+](CCCC[NH2+][C@H]2CCN(Cc3ccccn3)C[C@H]2C)C1 ZINC000247101265 496778339 /nfs/dbraw/zinc/77/83/39/496778339.db2.gz QAUWMOKYRCNHDC-SJBKTWHCSA-N 2 0 358.574 3.394 20 0 FGADRP COc1ccc2c(c1)[C@H]([NH2+]Cc1ccc(N3CC[NH+](C)CC3)nc1)CCC2 ZINC000268775287 496781530 /nfs/dbraw/zinc/78/15/30/496781530.db2.gz RGMOMRCYGKGQSE-OAQYLSRUSA-N 2 0 366.509 3.009 20 0 FGADRP COc1ccc2c(c1)[C@@H]([NH2+]C[C@H](C(C)C)N1CC[NH+](C)CC1)CCS2 ZINC000191492989 496781556 /nfs/dbraw/zinc/78/15/56/496781556.db2.gz HQNZXIHGFIIYMZ-RBUKOAKNSA-N 2 0 363.571 3.094 20 0 FGADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1 ZINC000273371482 496786572 /nfs/dbraw/zinc/78/65/72/496786572.db2.gz GWKDJYMIYBWTLY-SFHVURJKSA-N 2 0 374.573 3.399 20 0 FGADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CCn3cccc3[C@@H]2c2ccccc2)CC1 ZINC000191560876 496812481 /nfs/dbraw/zinc/81/24/81/496812481.db2.gz NDHZDBUUMBCFDI-QHCPKHFHSA-N 2 0 366.553 3.309 20 0 FGADRP Fc1ccc(CC[NH+]2CCC(NC3CC[NH+](C4CCC4)CC3)CC2)cc1 ZINC000269036577 496855276 /nfs/dbraw/zinc/85/52/76/496855276.db2.gz SRCSYZGOWMVLAJ-UHFFFAOYSA-N 2 0 359.533 3.439 20 0 FGADRP CC[C@@H](C)[N@H+](C)CCNC(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC000247649729 496900676 /nfs/dbraw/zinc/90/06/76/496900676.db2.gz WGAZACHGCMNQTR-LBFURVHYSA-N 2 0 372.557 3.212 20 0 FGADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+][C@H]1CCN(c2ccccc2Br)C1 ZINC000247926062 496929245 /nfs/dbraw/zinc/92/92/45/496929245.db2.gz BPKYNMPBLQHKHR-PNBKFKSVSA-N 2 0 366.347 3.346 20 0 FGADRP C[N@@H+]1CC[C@H](NC(=O)c2cccc(C[NH+]3CCCC3)c2)[C@H]1c1ccccc1 ZINC000247980886 496937560 /nfs/dbraw/zinc/93/75/60/496937560.db2.gz HLVRCDYJWVQJQF-FCHUYYIVSA-N 2 0 363.505 3.458 20 0 FGADRP COc1ccc([C@H](C[NH3+])C[NH+]2CCC(c3nc4ccccc4[nH]3)CC2)cc1 ZINC000574881371 505874854 /nfs/dbraw/zinc/87/48/54/505874854.db2.gz UOMZRFNGLAUSCL-GOSISDBHSA-N 2 0 364.493 3.493 20 0 FGADRP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(C[NH2+][C@@H]3CCC[C@@H](C4CC4)C3)c2)C1 ZINC000247981243 496938770 /nfs/dbraw/zinc/93/87/70/496938770.db2.gz IIVOKDYYIHRJHV-YPAWHYETSA-N 2 0 369.553 3.442 20 0 FGADRP CCc1ccc([C@@H](CNC(=O)NC[C@H](C)C[NH+]2CCCCC2)[NH+](C)C)cc1 ZINC000195551832 496950082 /nfs/dbraw/zinc/95/00/82/496950082.db2.gz CCDJEUQRKKAFNH-GHTZIAJQSA-N 2 0 374.573 3.273 20 0 FGADRP CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+]CCC[N@@H+]2CCCC[C@H]2C)cc1 ZINC000248067725 496951239 /nfs/dbraw/zinc/95/12/39/496951239.db2.gz ZTRFOSMFCXLYAN-IAGOWNOFSA-N 2 0 367.559 3.363 20 0 FGADRP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)c1cc(Br)ccc1F ZINC000248176816 496969676 /nfs/dbraw/zinc/96/96/76/496969676.db2.gz VSXYNODMGHWCIA-ZFWWWQNUSA-N 2 0 373.310 3.476 20 0 FGADRP C[C@H](NC(=O)CN1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1)c1cccc2ccccc21 ZINC000248184750 496970925 /nfs/dbraw/zinc/97/09/25/496970925.db2.gz XBZHGVZPIDWYLT-LQBOVUBWSA-N 2 0 365.521 3.433 20 0 FGADRP C[C@H](NC(=O)N(C)CC[C@H]1CCCC[N@@H+]1C)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000248390155 496992164 /nfs/dbraw/zinc/99/21/64/496992164.db2.gz BGRDTBAYVPUNNM-GBESFXJTSA-N 2 0 364.578 3.155 20 0 FGADRP c1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH2+]CCCOC[C@@H]4CCCO4)[C@H]3C2)cc1 ZINC000248397333 496994362 /nfs/dbraw/zinc/99/43/62/496994362.db2.gz HYDIJNPXJDXMFD-MLCQCVOFSA-N 2 0 372.553 3.462 20 0 FGADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+][C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1 ZINC000569211722 505879280 /nfs/dbraw/zinc/87/92/80/505879280.db2.gz BDJXCLWHEFDKNI-XKQJLSEDSA-N 2 0 357.420 3.414 20 0 FGADRP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1ccc(F)cc1N(C)C ZINC000248450442 497014904 /nfs/dbraw/zinc/01/49/04/497014904.db2.gz PAFQSMGGCYFXGK-OXQOHEQNSA-N 2 0 371.500 3.309 20 0 FGADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)N2CC[NH+](C3CCCC3)CC2)C1 ZINC000227374084 497089683 /nfs/dbraw/zinc/08/96/83/497089683.db2.gz SYNVGQQPYSYJIE-UYAOXDASSA-N 2 0 370.541 3.092 20 0 FGADRP CCCN(CCC[NH+](C)C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000248737580 497094319 /nfs/dbraw/zinc/09/43/19/497094319.db2.gz XOSCWQMDAUDXDH-FPOVZHCZSA-N 2 0 374.573 3.413 20 0 FGADRP C[C@@H](C[NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1)c1ccccc1 ZINC000248830435 497112935 /nfs/dbraw/zinc/11/29/35/497112935.db2.gz HHVUCOPQBXTEEM-PGRDOPGGSA-N 2 0 365.521 3.277 20 0 FGADRP CC(C)[N@H+](C)Cc1cccc(C[NH2+]Cc2cnc(N3CCOCC3)s2)c1 ZINC000236669226 497130175 /nfs/dbraw/zinc/13/01/75/497130175.db2.gz WQVNWDCZMDYDEQ-UHFFFAOYSA-N 2 0 374.554 3.110 20 0 FGADRP CCCC[NH+]1CCC(NC(=O)N[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000248902026 497131850 /nfs/dbraw/zinc/13/18/50/497131850.db2.gz UOAZEHUSGBNUNI-NQIIRXRSSA-N 2 0 372.557 3.071 20 0 FGADRP C[NH+](C)CCc1ccc(C(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000569236214 505886552 /nfs/dbraw/zinc/88/65/52/505886552.db2.gz YMPUSNLFLFDANT-QFIPXVFZSA-N 2 0 365.521 3.185 20 0 FGADRP C[C@@H]([NH2+][C@@H](C)CCN1CC[NH+](C)CC1)c1ccc(OCC(F)(F)F)cc1 ZINC000274640196 497136664 /nfs/dbraw/zinc/13/66/64/497136664.db2.gz QXJSMSVOMKGGEY-JKSUJKDBSA-N 2 0 373.463 3.304 20 0 FGADRP CCCC[N@H+](CC)Cc1cccc(CNC(=O)C[C@H]2CSCC[NH2+]2)c1 ZINC000236727143 497138430 /nfs/dbraw/zinc/13/84/30/497138430.db2.gz YTPAVZJTZIBVFH-IBGZPJMESA-N 2 0 363.571 3.020 20 0 FGADRP CCCN(C(=O)[C@H]1CC12CC[NH2+]CC2)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000236745052 497140444 /nfs/dbraw/zinc/14/04/44/497140444.db2.gz RFLPHAZBGKUGLE-NHCUHLMSSA-N 2 0 369.553 3.279 20 0 FGADRP C[N@@H+]1CC[C@@H](NC(=O)N2CCC([NH+]3CCCCC3)CC2)[C@@H]1c1ccccc1 ZINC000270516057 497143409 /nfs/dbraw/zinc/14/34/09/497143409.db2.gz MDXAFKJQFSLABW-RTWAWAEBSA-N 2 0 370.541 3.092 20 0 FGADRP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N(C)[C@@H]1CC[NH+](C)C[C@@H]1C ZINC000249024569 497150891 /nfs/dbraw/zinc/15/08/91/497150891.db2.gz RFRHOUCZLYPLLU-SESVDKBCSA-N 2 0 374.573 3.125 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)C[C@H]([NH3+])c1ccccc1)Cc1ccccc1 ZINC000236825215 497151889 /nfs/dbraw/zinc/15/18/89/497151889.db2.gz GNXHXUCNGVTTCG-RTWAWAEBSA-N 2 0 353.510 3.146 20 0 FGADRP Cc1ccc(C)c([C@H]2C[N@@H+](CCCN3CC[NH+](C(C)C)CC3)[C@@H](C)CO2)c1 ZINC000249053151 497156201 /nfs/dbraw/zinc/15/62/01/497156201.db2.gz OONIMEJUGNAGKP-JTHBVZDNSA-N 2 0 373.585 3.481 20 0 FGADRP COc1ccc([C@H](CCO)[NH2+][C@H](C)c2cccc(OCC[NH+](C)C)c2)cc1 ZINC000270627536 497165009 /nfs/dbraw/zinc/16/50/09/497165009.db2.gz LNDQFBYLAQYJQW-VGSWGCGISA-N 2 0 372.509 3.410 20 0 FGADRP COc1ccc([C@H](CCO)[NH2+][C@@H](C)c2ccc(OCC[NH+](C)C)cc2)cc1 ZINC000270634189 497167410 /nfs/dbraw/zinc/16/74/10/497167410.db2.gz MYSUEQUOTKNSIJ-JTSKRJEESA-N 2 0 372.509 3.410 20 0 FGADRP C[C@H]([NH2+]Cc1ccc2c(c1)sc(=O)n2C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000192637991 497171641 /nfs/dbraw/zinc/17/16/41/497171641.db2.gz VZWLJPSQNAYGCT-GOEBONIOSA-N 2 0 359.539 3.343 20 0 FGADRP COc1ccc2c(c1)[C@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)CCCS2 ZINC000249181184 497179262 /nfs/dbraw/zinc/17/92/62/497179262.db2.gz IEBRPLBJDMBGOI-QFBILLFUSA-N 2 0 364.555 3.449 20 0 FGADRP CCO[C@@H](CC[NH+](C)C)C[NH2+]Cc1cc(-c2ccncc2)ccc1OC ZINC000274849001 497181168 /nfs/dbraw/zinc/18/11/68/497181168.db2.gz XQHJZQYDJZZSQO-FQEVSTJZSA-N 2 0 357.498 3.204 20 0 FGADRP COc1ccc([C@@H](CNC(=O)C[N@H+](C)[C@H](C)C2CC2)[NH+]2CCCCC2)cc1 ZINC000249224754 497182554 /nfs/dbraw/zinc/18/25/54/497182554.db2.gz GQCPGPHIUOZYOZ-DYESRHJHSA-N 2 0 373.541 3.069 20 0 FGADRP Cc1ccccc1[C@@H]1C[N@@H+](CCCN2CC[NH+](C(C)C)CC2)[C@@H](C)CO1 ZINC000249270951 497184877 /nfs/dbraw/zinc/18/48/77/497184877.db2.gz JLCLBIGCEYZGPN-UNMCSNQZSA-N 2 0 359.558 3.173 20 0 FGADRP C[C@@H]([NH2+]Cc1cccnc1-n1cccn1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274889953 497192040 /nfs/dbraw/zinc/19/20/40/497192040.db2.gz JFQCWHRHYAOOIH-NQIIRXRSSA-N 2 0 361.493 3.268 20 0 FGADRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)C1NC(=O)C1CC[NH+](C2CC2)CC1 ZINC000192720894 497194809 /nfs/dbraw/zinc/19/48/09/497194809.db2.gz RAXOCTJDWHXZQP-VSOVRNOCSA-N 2 0 369.553 3.134 20 0 FGADRP O[C@@H]1CC[N@H+](Cc2ccccc2C[NH2+][C@@H]2CCC[C@H](C(F)(F)F)C2)C1 ZINC000249393345 497197389 /nfs/dbraw/zinc/19/73/89/497197389.db2.gz SCLRCRBVANOLMM-RCCFBDPRSA-N 2 0 356.432 3.464 20 0 FGADRP C[N@H+](Cc1ccccc1CNC(=O)[C@@H]1CC12CC[NH2+]CC2)C1CCCCC1 ZINC000237151935 497198311 /nfs/dbraw/zinc/19/83/11/497198311.db2.gz JDUGKENBXJIZDQ-NRFANRHFSA-N 2 0 369.553 3.457 20 0 FGADRP OC1CC[NH+](Cc2ccc(C[NH2+]Cc3cc4cccnc4o3)cc2)CC1 ZINC000572105957 505890988 /nfs/dbraw/zinc/89/09/88/505890988.db2.gz DCPGNSLMHKSRSO-UHFFFAOYSA-N 2 0 351.450 3.074 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)N(C)CC1([NH+](C)C)CCC1)c1ccsc1 ZINC000189674206 497206178 /nfs/dbraw/zinc/20/61/78/497206178.db2.gz ADDIJZJONRFVLT-KRWDZBQOSA-N 2 0 366.575 3.257 20 0 FGADRP COc1ccc([C@@H]2[C@@H](CNC(=O)CCCCCC[NH3+])CCC[N@@H+]2C)cc1 ZINC000237229804 497206655 /nfs/dbraw/zinc/20/66/55/497206655.db2.gz OEQJIHKOMZSZLC-WIYYLYMNSA-N 2 0 361.530 3.104 20 0 FGADRP C[C@@H]([NH2+]Cc1cccc(-n2cncn2)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274961383 497207060 /nfs/dbraw/zinc/20/70/60/497207060.db2.gz WSGGYQVNTZRKAU-NQIIRXRSSA-N 2 0 361.493 3.268 20 0 FGADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CC[C@H](Oc3ccccc3Cl)C2)CC1 ZINC000192777033 497210686 /nfs/dbraw/zinc/21/06/86/497210686.db2.gz KPYHJKNFEDFBGS-SFHVURJKSA-N 2 0 365.949 3.209 20 0 FGADRP COc1ccc(C[C@H](C)C[N@H+](C)CCCN2CC[NH+](C(C)C)CC2)cc1 ZINC000192781021 497213074 /nfs/dbraw/zinc/21/30/74/497213074.db2.gz JPNOEFOWHYHIMQ-FQEVSTJZSA-N 2 0 361.574 3.222 20 0 FGADRP O=C(NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)C12CCC[NH+]1CCC2 ZINC000278770083 497214949 /nfs/dbraw/zinc/21/49/49/497214949.db2.gz WWMFIBJDLQTDIS-UHFFFAOYSA-N 2 0 361.917 3.049 20 0 FGADRP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)C1CC[NH+](C2CC2)CC1 ZINC000192842061 497227073 /nfs/dbraw/zinc/22/70/73/497227073.db2.gz SWWWKRPNUDHESD-NRFANRHFSA-N 2 0 357.542 3.134 20 0 FGADRP C[C@H](CC(=O)N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1)C1CC[NH2+]CC1 ZINC000237578486 497258650 /nfs/dbraw/zinc/25/86/50/497258650.db2.gz RXZGIRIITWWKLC-MOPGFXCFSA-N 2 0 357.542 3.135 20 0 FGADRP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)c1ccc(C[NH3+])cc1 ZINC000237683926 497276066 /nfs/dbraw/zinc/27/60/66/497276066.db2.gz HIYVFJWLNMBWOB-IRXDYDNUSA-N 2 0 351.494 3.032 20 0 FGADRP C[C@@H](C(=O)NCc1ccnc(N2CCCCCC2)c1)[C@H]([NH3+])c1ccccc1 ZINC000237714989 497280339 /nfs/dbraw/zinc/28/03/39/497280339.db2.gz BYSVHDSKPLBKSG-UTKZUKDTSA-N 2 0 366.509 3.414 20 0 FGADRP C[C@H]([NH2+]CCOCC(F)(F)C(F)(F)F)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000189933474 497297795 /nfs/dbraw/zinc/29/77/95/497297795.db2.gz MRXJVAJNMIQLLX-STQMWFEESA-N 2 0 358.395 3.443 20 0 FGADRP Cc1ccccc1OC[C@@H](O)C[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000252480955 497302392 /nfs/dbraw/zinc/30/23/92/497302392.db2.gz HHSUVVLCBFRJKE-YADHBBJMSA-N 2 0 368.521 3.189 20 0 FGADRP [NH3+][C@@H]1CCC[C@@H](C(=O)NCC2CC[NH+](Cc3ccccc3Cl)CC2)C1 ZINC000237868250 497304554 /nfs/dbraw/zinc/30/45/54/497304554.db2.gz MDDXWVAGZAPZJL-SJLPKXTDSA-N 2 0 363.933 3.186 20 0 FGADRP [NH3+][C@@H]1CCCCCC[C@H]1C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000237890171 497308476 /nfs/dbraw/zinc/30/84/76/497308476.db2.gz ZCFTVGGKZBTVRO-RTBURBONSA-N 2 0 363.571 3.374 20 0 FGADRP [NH3+]Cc1ccc(C(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)cc1 ZINC000237974904 497322372 /nfs/dbraw/zinc/32/23/72/497322372.db2.gz GAKFBYBJCWCAMP-UHFFFAOYSA-N 2 0 351.494 3.451 20 0 FGADRP C/C=C\c1ccc(OC[C@@H](O)C[NH+]2CCC(n3ccnc3)CC2)c(OC)c1 ZINC000254929825 497352620 /nfs/dbraw/zinc/35/26/20/497352620.db2.gz LTWWTVNAZOSUNS-LLHWWHOWSA-N 2 0 371.481 3.002 20 0 FGADRP C[NH+](C)CCc1ccccc1NC(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000275614049 497382448 /nfs/dbraw/zinc/38/24/48/497382448.db2.gz IRQXVSWOFXSTPW-QGZVFWFLSA-N 2 0 360.527 3.277 20 0 FGADRP C[C@H](C(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]([NH3+])c1ccccc1 ZINC000261573462 497415802 /nfs/dbraw/zinc/41/58/02/497415802.db2.gz APSJUSOSTPLNCI-YYWHXJBOSA-N 2 0 351.494 3.055 20 0 FGADRP CCc1ccc([C@H](CNC(=O)NC2CC[NH+](CC3CC3)CC2)[NH+](C)C)cc1 ZINC000193618810 497428910 /nfs/dbraw/zinc/42/89/10/497428910.db2.gz QRGXPYOBPJSLNJ-NRFANRHFSA-N 2 0 372.557 3.025 20 0 FGADRP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)[C@@H]2CC23CC[NH2+]CC3)C1 ZINC000261904170 497472655 /nfs/dbraw/zinc/47/26/55/497472655.db2.gz FLAKUQLPBYAPPE-OPYAIIAOSA-N 2 0 369.553 3.170 20 0 FGADRP C[N@H+]1CC=C(C[NH2+]Cc2cn(-c3ccccc3)nc2-c2cccnc2)CC1 ZINC000271872139 497476303 /nfs/dbraw/zinc/47/63/03/497476303.db2.gz YDCNYRHJPFNDRT-UHFFFAOYSA-N 2 0 359.477 3.286 20 0 FGADRP O=C(Nc1ccc(-c2ncc3n2CCCC3)cc1)[C@H]1CC12CC[NH2+]CC2 ZINC000261949038 497481099 /nfs/dbraw/zinc/48/10/99/497481099.db2.gz PCDVJGBPTJWXII-GOSISDBHSA-N 2 0 350.466 3.215 20 0 FGADRP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+][C@@H]2CCN(c4ccccn4)C2)C3)cc1 ZINC000245670576 497494714 /nfs/dbraw/zinc/49/47/14/497494714.db2.gz HHEFVXZJJJAXOS-YSFYHYPLSA-N 2 0 362.521 3.446 20 0 FGADRP C[C@H](C[NH2+][C@@H](c1ccc(Br)s1)C1CC1)N1CC[NH+](C)CC1 ZINC000190600491 497540530 /nfs/dbraw/zinc/54/05/30/497540530.db2.gz BVXASNIFBAIOQS-MLGOLLRUSA-N 2 0 372.376 3.187 20 0 FGADRP CC1(C)[C@H]([NH2+]CCCC[NH+]2CCN(c3ccccc3)CC2)[C@@H]2CCCO[C@H]21 ZINC000245849131 497550175 /nfs/dbraw/zinc/55/01/75/497550175.db2.gz GARLKEJVWVKZJZ-BHDDXSALSA-N 2 0 371.569 3.382 20 0 FGADRP CCC(CC)(CNC(=O)c1csc(CC[NH3+])n1)[NH2+][C@H](C)c1ccccc1 ZINC000262419403 497553761 /nfs/dbraw/zinc/55/37/61/497553761.db2.gz URWOZCCIMFIYQX-OAHLLOKOSA-N 2 0 374.554 3.284 20 0 FGADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)C1 ZINC000245894263 497562664 /nfs/dbraw/zinc/56/26/64/497562664.db2.gz CUHLVYAZQNQREL-WOJBJXKFSA-N 2 0 364.578 3.158 20 0 FGADRP CC(C)(C)[NH+]1CCC(NC(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000194070615 497564313 /nfs/dbraw/zinc/56/43/13/497564313.db2.gz HJEXQHOIQDBGIY-IBGZPJMESA-N 2 0 372.557 3.071 20 0 FGADRP COc1ccccc1O[C@H](C)C[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000581125340 505916130 /nfs/dbraw/zinc/91/61/30/505916130.db2.gz OURWQDSWHRJYPV-TVTNDZMWSA-N 2 0 368.477 3.308 20 0 FGADRP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)CC1 ZINC000262661007 497594165 /nfs/dbraw/zinc/59/41/65/497594165.db2.gz GGUIHWISNRCZDY-DWIQEWEKSA-N 2 0 355.526 3.249 20 0 FGADRP CC[C@H](CNC(=O)[C@@H](C)[C@@H]([NH3+])c1ccccc1)[N@@H+]1CCc2ccccc2C1 ZINC000262660007 497594268 /nfs/dbraw/zinc/59/42/68/497594268.db2.gz FUMHYGNTUSQDNC-MTNREXPMSA-N 2 0 365.521 3.276 20 0 FGADRP C[C@H](C(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1)[C@H]([NH3+])c1ccccc1 ZINC000262678423 497597761 /nfs/dbraw/zinc/59/77/61/497597761.db2.gz UXWUQGRCNAXCNB-WMQCIHAUSA-N 2 0 351.494 3.276 20 0 FGADRP C[C@]1(O)CCC[NH+](Cc2ccc(C[N@H+]3CCC[C@](C)(O)CC3)cc2)CC1 ZINC000279957116 497601801 /nfs/dbraw/zinc/60/18/01/497601801.db2.gz GWRPPXGIPWEWHG-VXKWHMMOSA-N 2 0 360.542 3.160 20 0 FGADRP CCO[C@@H]1C[C@]([NH3+])(C(=O)Nc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)C1(C)C ZINC000262803825 497625230 /nfs/dbraw/zinc/62/52/30/497625230.db2.gz SADPGGGOMOHIBL-PERKRYKHSA-N 2 0 373.541 3.390 20 0 FGADRP C[N@@H+]1CC[C@H]([NH2+]Cc2cc3c(c(Br)c2)OCO3)[C@H]2CCC[C@@H]21 ZINC000572229118 505919627 /nfs/dbraw/zinc/91/96/27/505919627.db2.gz CRBQSPWGPZENHZ-SNPRPXQTSA-N 2 0 367.287 3.140 20 0 FGADRP C[C@@H]([NH2+]CC1(C)CC[NH+](C)CC1)c1ccc(OCc2nccn2C)cc1 ZINC000272495252 497644066 /nfs/dbraw/zinc/64/40/66/497644066.db2.gz CZDZPWVFSSJUBX-QGZVFWFLSA-N 2 0 356.514 3.382 20 0 FGADRP C[C@@]1(O)CCC[NH+](Cc2cccc(C[N@H+]3CCC[C@@](C)(O)CC3)c2)CC1 ZINC000280088606 497645179 /nfs/dbraw/zinc/64/51/79/497645179.db2.gz OGOXFUOELVDVHI-FGZHOGPDSA-N 2 0 360.542 3.160 20 0 FGADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)NC[C@H](c2ccc(CC)cc2)[NH+](C)C)C1 ZINC000246170300 497646221 /nfs/dbraw/zinc/64/62/21/497646221.db2.gz LFTWXNQNACBLTM-TZIWHRDSSA-N 2 0 374.573 3.225 20 0 FGADRP C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@H]1C)[N@@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000246171983 497647250 /nfs/dbraw/zinc/64/72/50/497647250.db2.gz SKZWOZGCWLFELN-GFEQUFNTSA-N 2 0 358.530 3.145 20 0 FGADRP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)NC[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000194413967 497658021 /nfs/dbraw/zinc/65/80/21/497658021.db2.gz AZDPPZKOIIREEC-LEWJYISDSA-N 2 0 372.557 3.024 20 0 FGADRP C[C@@H](C(=O)Nc1ccc(C(F)(F)F)cc1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246241142 497671925 /nfs/dbraw/zinc/67/19/25/497671925.db2.gz UPPRELOCWMKCKD-GJZGRUSLSA-N 2 0 369.431 3.450 20 0 FGADRP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+][C@H]1CCCOc2cc3c(cc21)CCC3 ZINC000246279273 497682028 /nfs/dbraw/zinc/68/20/28/497682028.db2.gz MLEPCRYKPGMEEO-FPOVZHCZSA-N 2 0 358.526 3.216 20 0 FGADRP C[C@H]1C[C@@H]([NH2+][C@@H](Cc2ccccc2)C(=O)NCC[NH+](C)C)c2ccccc21 ZINC000578362373 505923031 /nfs/dbraw/zinc/92/30/31/505923031.db2.gz NOVCOSJGHKGGCF-WTOYTKOKSA-N 2 0 365.521 3.114 20 0 FGADRP CC[NH+](CC)Cc1cccc(CNC(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000246335960 497700172 /nfs/dbraw/zinc/70/01/72/497700172.db2.gz OPOMJUHBLQAZGK-FXAWDEMLSA-N 2 0 360.546 3.153 20 0 FGADRP C(C[NH+]1CCCC2(CCC[N@@H+](CCOC3CCC3)C2)C1)OC1CCC1 ZINC000569394523 505924110 /nfs/dbraw/zinc/92/41/10/505924110.db2.gz AVTVHQKRGCUZHS-UHFFFAOYSA-N 2 0 350.547 3.303 20 0 FGADRP COC1(C[NH2+]Cc2ccccc2C[N@H+](C)Cc2ccco2)CCOCC1 ZINC000276978430 497705163 /nfs/dbraw/zinc/70/51/63/497705163.db2.gz GKZTZMQUBGYUCP-UHFFFAOYSA-N 2 0 358.482 3.197 20 0 FGADRP CCCn1ccnc1CCCN(C)Cc1nc([C@@H](C)OCC(C)C)no1 ZINC000277036032 497722830 /nfs/dbraw/zinc/72/28/30/497722830.db2.gz BMGCAUWQBJDKJE-MRXNPFEDSA-N 2 0 363.506 3.474 20 0 FGADRP CC[NH+](CC)CCN(Cc1ccccc1)C(=O)C[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000263301541 497753350 /nfs/dbraw/zinc/75/33/50/497753350.db2.gz ZPJNTVGTBZQAOE-CTNGQTDRSA-N 2 0 359.558 3.383 20 0 FGADRP CC1(C)C[N@@H+](C2(CNC(=O)C[C@@H]([NH3+])c3ccccc3)CCCCC2)CCO1 ZINC000263325193 497757652 /nfs/dbraw/zinc/75/76/52/497757652.db2.gz KDNJBFIREUPTQW-LJQANCHMSA-N 2 0 373.541 3.006 20 0 FGADRP Cc1c([C@H](C)[NH2+]CC2(N3CCCCC3)CC[NH+](C)CC2)cnn1C(C)C ZINC000191314514 497778490 /nfs/dbraw/zinc/77/84/90/497778490.db2.gz BYBYNICUFALOBX-SFHVURJKSA-N 2 0 361.578 3.373 20 0 FGADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)N[C@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000246577833 497780256 /nfs/dbraw/zinc/78/02/56/497780256.db2.gz ZRSZVQWHNMKOMF-RTWAWAEBSA-N 2 0 372.557 3.024 20 0 FGADRP C[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1)c1ccc(F)cc1 ZINC000246626184 497790902 /nfs/dbraw/zinc/79/09/02/497790902.db2.gz UVTRNGCKCLXNOJ-OXQOHEQNSA-N 2 0 369.484 3.374 20 0 FGADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)NC[C@H](c2cccs2)[NH+](C)C)C1 ZINC000246724091 497804182 /nfs/dbraw/zinc/80/41/82/497804182.db2.gz VJUGHGSZYDOKFO-IAGOWNOFSA-N 2 0 366.575 3.018 20 0 FGADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](C)CC(=O)N(C)Cc2cccc(Cl)c2)C1 ZINC000246836906 497815128 /nfs/dbraw/zinc/81/51/28/497815128.db2.gz BZZWEQSMSGWWDU-SJLPKXTDSA-N 2 0 365.949 3.399 20 0 FGADRP CC[N@@H+]1CC[C@@H]([NH2+]CC2CC[NH+](Cc3ccc(OC)cc3)CC2)[C@@H](C)C1 ZINC000246870360 497817863 /nfs/dbraw/zinc/81/78/63/497817863.db2.gz COHHZIMLAMQDDO-PGRDOPGGSA-N 3 0 359.558 3.227 20 0 FGADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CC[C@H](C)[C@H](C(=O)OC(C)(C)C)C1 ZINC000569457046 505940209 /nfs/dbraw/zinc/94/02/09/505940209.db2.gz RCCLXPLQQXNYGP-HNAYVOBHSA-N 2 0 370.497 3.375 20 0 FGADRP COc1ccc([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1Cn1cccn1 ZINC000295987832 497881494 /nfs/dbraw/zinc/88/14/94/497881494.db2.gz PICMNHRYHNXUIR-MIJOPJBOSA-N 2 0 354.498 3.216 20 0 FGADRP COC(=O)C[C@@H]1CC[C@H]([NH2+]C[C@H]2CC[N@H+](CCc3ccccc3)C2)[C@H]1C ZINC000280813130 497908776 /nfs/dbraw/zinc/90/87/76/497908776.db2.gz IHTHUBXBHBAHEC-NRDMVMEKSA-N 2 0 358.526 3.118 20 0 FGADRP C[C@H](CC[NH2+][C@@H](CO)c1ccccc1)CC[NH2+][C@H](CO)c1ccccc1 ZINC000299731851 497910077 /nfs/dbraw/zinc/91/00/77/497910077.db2.gz XKMHLBBZFUTWTK-FJPGZJACSA-N 2 0 356.510 3.049 20 0 FGADRP COc1cc(C[NH2+]CC2(SC)CC[NH+](C)CC2)ccc1OC(F)F ZINC000569514382 505952456 /nfs/dbraw/zinc/95/24/56/505952456.db2.gz ZQNJNKNBQYYJGI-UHFFFAOYSA-N 2 0 360.470 3.214 20 0 FGADRP C[C@H]1CN(C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)CC[NH+](C2CCC2)C1 ZINC000292281351 497952934 /nfs/dbraw/zinc/95/29/34/497952934.db2.gz LMRQTBDXHCLHKK-REWPJTCUSA-N 2 0 371.569 3.084 20 0 FGADRP O[C@@H](C[NH2+]C[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)Cc1ccccc1 ZINC000578500166 505955638 /nfs/dbraw/zinc/95/56/38/505955638.db2.gz OWLUARAZEXLYLO-XZOQPEGZSA-N 2 0 352.522 3.482 20 0 FGADRP c1ccc(N2CC[NH+](CCCC[NH2+][C@@H]3CCOC4(CCC4)C3)CC2)cc1 ZINC000296298661 497990242 /nfs/dbraw/zinc/99/02/42/497990242.db2.gz FZLXNJYUPMXFAC-HXUWFJFHSA-N 2 0 357.542 3.280 20 0 FGADRP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)NC[C@@H]2[NH2+]CCCC2(C)C)CC1 ZINC000569558645 505964023 /nfs/dbraw/zinc/96/40/23/505964023.db2.gz BSJCDBMOGJEWPS-XLIONFOSSA-N 2 0 372.557 3.289 20 0 FGADRP Cn1cc(CC[NH2+][C@@H]2CCCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)cn1 ZINC000581340092 505965336 /nfs/dbraw/zinc/96/53/36/505965336.db2.gz DOUBVKZKGPCQPH-BHIFYINESA-N 2 0 352.526 3.243 20 0 FGADRP C[C@H](C[NH3+])C(=O)NCc1ccccc1-c1ccc(C[NH+]2CCCC2)cc1 ZINC000569571192 505967626 /nfs/dbraw/zinc/96/76/26/505967626.db2.gz DRLJLACDCCECRL-QGZVFWFLSA-N 2 0 351.494 3.160 20 0 FGADRP COc1cc(C[NH2+]C[C@H]2CC[N@H+](CCc3ccccc3)C2)cc(OC)c1O ZINC000289208345 498060095 /nfs/dbraw/zinc/06/00/95/498060095.db2.gz IIXKZQXINRYWEC-GOSISDBHSA-N 2 0 370.493 3.064 20 0 FGADRP [NH3+][C@H](CC(=O)N1CCC[N@H+](CCCc2ccccc2)CC1)c1ccccc1 ZINC000569599241 505973293 /nfs/dbraw/zinc/97/32/93/505973293.db2.gz FHASSUKKJWALSY-JOCHJYFZSA-N 2 0 365.521 3.244 20 0 FGADRP CCc1cccc(C[NH2+]Cc2ccccc2OCCN2CCOCC2)c1 ZINC000581374424 505973556 /nfs/dbraw/zinc/97/35/56/505973556.db2.gz LREJKEWTDNAPLL-UHFFFAOYSA-N 2 0 354.494 3.250 20 0 FGADRP Cc1cc(N[C@H](C)C[NH+]2CCN(C)CC2)c2cc(OC(F)F)ccc2[nH+]1 ZINC000301372593 498078837 /nfs/dbraw/zinc/07/88/37/498078837.db2.gz UOFJVRQSALYXMS-CQSZACIVSA-N 2 0 364.440 3.192 20 0 FGADRP c1nc(C[NH2+]CC2CC[NH+](Cc3ccccc3)CC2)sc1C1OCCO1 ZINC000289354988 498116842 /nfs/dbraw/zinc/11/68/42/498116842.db2.gz XYQXIZQOZJEVDN-UHFFFAOYSA-N 2 0 373.522 3.190 20 0 FGADRP C[C@H](C(=O)Nc1cccc(C(F)(F)F)c1)[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000578652729 505990225 /nfs/dbraw/zinc/99/02/25/505990225.db2.gz VSVGIAKLTFASCA-RBSFLKMASA-N 2 0 369.431 3.354 20 0 FGADRP C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]([NH3+])C(C)(C)C)[C@@H]1c1cccc(Cl)c1 ZINC000364853524 498174491 /nfs/dbraw/zinc/17/44/91/498174491.db2.gz ZVIXKSWSHXQPNP-BHYGNILZSA-N 2 0 351.922 3.213 20 0 FGADRP COC(=O)c1csc([C@@H](C)[NH2+]Cc2cccc(OCC[NH+](C)C)c2)c1 ZINC000285719687 498180871 /nfs/dbraw/zinc/18/08/71/498180871.db2.gz QBLYBKVNIOLOBL-CQSZACIVSA-N 2 0 362.495 3.326 20 0 FGADRP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]C[C@H]2CN4CCCC[C@H]4CO2)C3)cc1 ZINC000364927847 498213581 /nfs/dbraw/zinc/21/35/81/498213581.db2.gz CPJHCUNSNJGAHV-SPHOGXRMSA-N 2 0 369.553 3.025 20 0 FGADRP COc1ccccc1NC(=O)C1CC[NH+](CC[C@H]2CCCC[N@@H+]2C)CC1 ZINC000360365038 498268979 /nfs/dbraw/zinc/26/89/79/498268979.db2.gz FWIDWRJRLKTFKA-GOSISDBHSA-N 2 0 359.514 3.220 20 0 FGADRP C[C@@H]1C[NH+](CCCC[NH2+][C@H]2CCC(=O)Nc3ccc(F)cc32)C[C@@H](C)O1 ZINC000360696808 498298532 /nfs/dbraw/zinc/29/85/32/498298532.db2.gz FKJIFQMYQZATLC-RKVPGOIHSA-N 2 0 363.477 3.078 20 0 FGADRP O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)NC1CC[NH+](C2CCC2)CC1 ZINC000297067406 498310465 /nfs/dbraw/zinc/31/04/65/498310465.db2.gz MWSHYOCZEUCQKW-NRFANRHFSA-N 2 0 370.541 3.140 20 0 FGADRP Cn1cc(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)c(C2CCCCC2)n1 ZINC000575834899 506013704 /nfs/dbraw/zinc/01/37/04/506013704.db2.gz GQEGDLMULGBNFQ-UHFFFAOYSA-N 2 0 374.573 3.402 20 0 FGADRP C[NH2+]Cc1cccc(NC(=O)c2ccc(N3CC[NH+](C(C)C)CC3)cc2)c1 ZINC000297195764 498353293 /nfs/dbraw/zinc/35/32/93/498353293.db2.gz MHUJNQAPNAJKMA-UHFFFAOYSA-N 2 0 366.509 3.189 20 0 FGADRP Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)[C@@H](C[NH3+])c1ccccc1 ZINC000569813699 506022361 /nfs/dbraw/zinc/02/23/61/506022361.db2.gz KZDSPUFGZAVPOM-IBGZPJMESA-N 2 0 369.534 3.225 20 0 FGADRP COc1ccc(CC[C@H](C)[NH2+]C[C@@H]2CCN(C)[C@H]2c2cccnc2)cc1O ZINC000365244825 498370909 /nfs/dbraw/zinc/37/09/09/498370909.db2.gz UJIWEPOJAKWDQD-BPXKWBHBSA-N 2 0 369.509 3.400 20 0 FGADRP CC(C)C(=O)N1CCC([NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)CC1 ZINC000289984590 498382230 /nfs/dbraw/zinc/38/22/30/498382230.db2.gz YATSNUPKWJSSTL-BAGYTPMASA-N 2 0 369.553 3.134 20 0 FGADRP C[C@H]1CCCC[N@@H+]1CCC(=O)NCc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000569834781 506027991 /nfs/dbraw/zinc/02/79/91/506027991.db2.gz PYLDNHKHVUXSDE-SFHVURJKSA-N 2 0 373.541 3.040 20 0 FGADRP c1ccc(CN2CCC[C@H]([NH2+]C3CCN(c4cc[nH+]cc4)CC3)C2)cc1 ZINC000297291899 498393697 /nfs/dbraw/zinc/39/36/97/498393697.db2.gz AMPINVBUEKLURP-NRFANRHFSA-N 3 0 350.510 3.305 20 0 FGADRP CCCNC(=O)C[NH+]1CCC(Nc2c(C)c(C)[nH+]c3ccccc32)CC1 ZINC000302068778 498395600 /nfs/dbraw/zinc/39/56/00/498395600.db2.gz GAFZHLOLHRWMIE-UHFFFAOYSA-N 2 0 354.498 3.254 20 0 FGADRP CCN(C(=O)N[C@@H]1C[C@@H](C)n2ccnc21)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000575889066 506027077 /nfs/dbraw/zinc/02/70/77/506027077.db2.gz FHWOKIPQGSUMHK-NZSAHSFTSA-N 2 0 367.497 3.195 20 0 FGADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)c1ccccc1CC1CC[NH2+]CC1 ZINC000581610500 506027202 /nfs/dbraw/zinc/02/72/02/506027202.db2.gz QSKIFJGJNCGMTH-HXUWFJFHSA-N 2 0 357.542 3.223 20 0 FGADRP Cc1cc([C@@H](C)[NH2+][C@@H](C)CN2CC[NH+](C)CC2)sc1Br ZINC000286456488 498403100 /nfs/dbraw/zinc/40/31/00/498403100.db2.gz KEBHGTRGOICFHV-QWHCGFSZSA-N 2 0 360.365 3.106 20 0 FGADRP C[NH+]1CCC2(CC1)C[C@H](NC[C@@H]1CC[N@@H+](C3CC3)C1)c1ccccc1O2 ZINC000361900788 498437855 /nfs/dbraw/zinc/43/78/55/498437855.db2.gz RIUCHQKBVGTOBT-PXNSSMCTSA-N 2 0 355.526 3.049 20 0 FGADRP Cc1nc(CN2CCC(C[NH2+][C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)CC2)oc1C ZINC000578846613 506035014 /nfs/dbraw/zinc/03/50/14/506035014.db2.gz LFRDXAQXBVQXHA-SLFFLAALSA-N 2 0 360.546 3.014 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)NC2CC([NH+]3CCCCC3)C2)C1 ZINC000365433052 498465056 /nfs/dbraw/zinc/46/50/56/498465056.db2.gz WNMHJIVSBRLHRM-VCWRXUFXSA-N 2 0 364.578 3.061 20 0 FGADRP C[NH+](C)[C@@H]1CCC[C@H](Nc2cc(N[C@H]3CCC[C@@H]([NH+](C)C)C3)ncn2)C1 ZINC000302304605 498466655 /nfs/dbraw/zinc/46/66/55/498466655.db2.gz QZEWFDCYLIAWOK-WNRNVDISSA-N 2 0 360.550 3.046 20 0 FGADRP COc1cccc(OC)c1OCCCC[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000290253007 498483196 /nfs/dbraw/zinc/48/31/96/498483196.db2.gz KAEQSPLZZRABJC-ZWKOTPCHSA-N 2 0 362.514 3.279 20 0 FGADRP CC(C)[N@@H+](C)C[C@H](C)NC(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000575963145 506043288 /nfs/dbraw/zinc/04/32/88/506043288.db2.gz FIXKXEMBLYDNON-IBGZPJMESA-N 2 0 374.573 3.446 20 0 FGADRP C[C@@H]([NH2+]C[C@H]1CCCC[N@H+](Cc2ccccc2)C1)C(C)(C)n1cncn1 ZINC000290294683 498499788 /nfs/dbraw/zinc/49/97/88/498499788.db2.gz YETYAZXASSMTRW-UYAOXDASSA-N 2 0 355.530 3.294 20 0 FGADRP COc1ccc2c(c1F)CC[C@@H]2[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000290319516 498507104 /nfs/dbraw/zinc/50/71/04/498507104.db2.gz OEGRYGCXZONRGT-OTWHNJEPSA-N 2 0 362.489 3.179 20 0 FGADRP COc1cccc2c1CC[C@H]2[NH2+]Cc1ccncc1OCCC[NH+](C)C ZINC000290356533 498521272 /nfs/dbraw/zinc/52/12/72/498521272.db2.gz QKUSEEUYRROBKK-LJQANCHMSA-N 2 0 355.482 3.198 20 0 FGADRP CC[NH+]1CCN(CCC[NH2+][C@@H]2CCCOc3cc(Cl)ccc32)CC1 ZINC000362486455 498523560 /nfs/dbraw/zinc/52/35/60/498523560.db2.gz NGAOJDWBXCTLCR-GOSISDBHSA-N 2 0 351.922 3.171 20 0 FGADRP Cc1ccncc1CCC[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000290376350 498528569 /nfs/dbraw/zinc/52/85/69/498528569.db2.gz NRXGQQBGPBVZBG-QFIPXVFZSA-N 2 0 353.510 3.069 20 0 FGADRP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1ccc2c(c1)NC(=O)CO2 ZINC000293934912 498537151 /nfs/dbraw/zinc/53/71/51/498537151.db2.gz NUAXEDLURRYQSI-UHFFFAOYSA-N 2 0 353.466 3.101 20 0 FGADRP C[NH+](C)Cc1cccc(NC(=O)N2CC[C@@H]([N@H+](C)Cc3ccccc3)C2)c1 ZINC000365624731 498564915 /nfs/dbraw/zinc/56/49/15/498564915.db2.gz DYYOBONCVDOBJH-OAQYLSRUSA-N 2 0 366.509 3.486 20 0 FGADRP COc1cc(Br)c(CN(C)[C@H]2CC[N@H+](C)C[C@@H]2C)cc1OC ZINC000290540104 498590254 /nfs/dbraw/zinc/59/02/54/498590254.db2.gz REUHYBSYBZVDBR-WFASDCNBSA-N 2 0 371.319 3.238 20 0 FGADRP CC[C@@H]1CN(c2cc(N3CCCC3)ncn2)CC[N@@H+]1Cc1ccccc1 ZINC000302867583 498606117 /nfs/dbraw/zinc/60/61/17/498606117.db2.gz ZPIRHITWEBWAMK-LJQANCHMSA-N 2 0 351.498 3.178 20 0 FGADRP [NH3+][C@@H]1CCC[C@H](C[NH2+][C@H]2CCCC[C@@H](N3C(=O)c4ccccc4C3=O)C2)C1 ZINC000572832877 506063201 /nfs/dbraw/zinc/06/32/01/506063201.db2.gz FRWJBCJWVPHLEV-XWTMOSNGSA-N 2 0 369.509 3.091 20 0 FGADRP Cc1nccn1CCC[N@@H+](C)Cc1cnc2ccc(Br)cn12 ZINC000290654399 498635133 /nfs/dbraw/zinc/63/51/33/498635133.db2.gz ZFZIVXGFKVQARP-UHFFFAOYSA-N 2 0 362.275 3.124 20 0 FGADRP C[C@@H](CNC(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1)[NH+]1CCC(C)CC1 ZINC000303067021 498645835 /nfs/dbraw/zinc/64/58/35/498645835.db2.gz NKBKGAWTJOFAPV-ZCNNSNEGSA-N 2 0 366.594 3.164 20 0 FGADRP C[NH+]1CCC(CC(=O)N2CCC[C@H]2[C@H]2CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000365879669 498684716 /nfs/dbraw/zinc/68/47/16/498684716.db2.gz KIPWNAQXKCNVJI-YADHBBJMSA-N 2 0 369.553 3.374 20 0 FGADRP Cc1ccc(NC(=O)N2CC[C@@H]([NH+]3CCCC3)[C@@H]2C)c(OCC[NH+](C)C)c1 ZINC000287268916 498695616 /nfs/dbraw/zinc/69/56/16/498695616.db2.gz LCCQXKGYKFSRCI-PKOBYXMFSA-N 2 0 374.529 3.026 20 0 FGADRP CC(C)[NH+]1CCC(N(C)C(=O)C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000363203791 498701258 /nfs/dbraw/zinc/70/12/58/498701258.db2.gz RALYBQZPTNTMAT-UHFFFAOYSA-N 2 0 357.542 3.230 20 0 FGADRP C[NH+](C)Cc1ccccc1C(=O)NC1CC[NH+](Cc2cccs2)CC1 ZINC000365969416 498717451 /nfs/dbraw/zinc/71/74/51/498717451.db2.gz MOJZRWZVHJMAMP-UHFFFAOYSA-N 2 0 357.523 3.204 20 0 FGADRP COc1cccc(CCC[NH+]2CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)c1 ZINC000303937475 498729765 /nfs/dbraw/zinc/72/97/65/498729765.db2.gz RXHLBJUQKCJBER-RTBURBONSA-N 2 0 360.542 3.449 20 0 FGADRP C[NH+](C)Cc1c2ccccc2oc1C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000363262102 498734557 /nfs/dbraw/zinc/73/45/57/498734557.db2.gz VVHJOFPAJUNFFJ-INIZCTEOSA-N 2 0 355.482 3.195 20 0 FGADRP C/C(=C\c1ccccc1)C[NH+]1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000579058223 506083815 /nfs/dbraw/zinc/08/38/15/506083815.db2.gz XWIXGYKNNHLCQT-CZIZESTLSA-N 2 0 369.553 3.404 20 0 FGADRP c1ccc(C[N@H+]2CC[C@@H](C[NH2+]C3CCN(c4ccccn4)CC3)C2)cc1 ZINC000311517480 498752210 /nfs/dbraw/zinc/75/22/10/498752210.db2.gz OTPXHHGHQZKQEE-FQEVSTJZSA-N 3 0 350.510 3.162 20 0 FGADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H](C)c1ccc(N2CCCOC2=O)cc1 ZINC000294648616 498761694 /nfs/dbraw/zinc/76/16/94/498761694.db2.gz GQIRVWIHKZVQRL-LPHOPBHVSA-N 2 0 363.502 3.041 20 0 FGADRP CCc1cccc(OC[C@H](O)C[NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000312737009 498764315 /nfs/dbraw/zinc/76/43/15/498764315.db2.gz XEDVMHRWKDIIEY-FCHUYYIVSA-N 2 0 368.521 3.100 20 0 FGADRP CC[N@H+](C)C[C@H]1CCN(C(=O)NC2CC[NH+](C3CCC(C)CC3)CC2)C1 ZINC000363358718 498779278 /nfs/dbraw/zinc/77/92/78/498779278.db2.gz JGPLSIKUAULPBF-QPIRBTGLSA-N 2 0 364.578 3.013 20 0 FGADRP Cc1ccccc1[C@H]([NH3+])C(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000294719354 498781656 /nfs/dbraw/zinc/78/16/56/498781656.db2.gz BSMLQSYSBPKALI-APWZRJJASA-N 2 0 357.523 3.085 20 0 FGADRP C[C@@H](c1nc(C2CC2)no1)N1CCC2(C[C@H]2N(C)Cc2nccs2)CC1 ZINC000283120404 498787762 /nfs/dbraw/zinc/78/77/62/498787762.db2.gz MYCWECSPHIEVOX-DZGCQCFKSA-N 2 0 373.526 3.451 20 0 FGADRP CN(C(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1)[C@H](c1ncc[nH]1)c1ccccc1 ZINC000579082870 506090129 /nfs/dbraw/zinc/09/01/29/506090129.db2.gz HQTGOKFCXBEXCH-OALUTQOASA-N 2 0 367.497 3.157 20 0 FGADRP C[NH+](C)Cc1ccccc1C(=O)NC[C@@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000366167404 498805949 /nfs/dbraw/zinc/80/59/49/498805949.db2.gz DYQDKTDPHQXIQI-HSZRJFAPSA-N 2 0 365.521 3.390 20 0 FGADRP CC1CC[NH+](CCC[C@@H]([NH2+]C[C@]2(O)CCOC2)c2ccc(F)cc2)CC1 ZINC000291141742 498811943 /nfs/dbraw/zinc/81/19/43/498811943.db2.gz HRPXIRHVHZUFDA-NHCUHLMSSA-N 2 0 364.505 3.120 20 0 FGADRP O=C(CCC[NH2+]C1CCN(c2cc[nH+]cc2)CC1)N1CCc2ccccc21 ZINC000298574027 498817552 /nfs/dbraw/zinc/81/75/52/498817552.db2.gz XFTXZHZNZKYOEM-UHFFFAOYSA-N 2 0 364.493 3.010 20 0 FGADRP C[C@@H]1C[N@@H+](Cc2ccc(C[NH2+][C@@H]3CCOC4(CCC4)C3)cc2)C[C@H](C)O1 ZINC000294843679 498824176 /nfs/dbraw/zinc/82/41/76/498824176.db2.gz UHPVNRXGIBSPNQ-LVCYWYKZSA-N 2 0 358.526 3.487 20 0 FGADRP Cc1cccc2oc(CC[NH2+][C@@H]3CC[N@@H+](C[C@@H]4CCCO4)C[C@H]3C)nc21 ZINC000366208834 498825161 /nfs/dbraw/zinc/82/51/61/498825161.db2.gz KDAILCGKBBPRQE-FGTMMUONSA-N 2 0 357.498 3.158 20 0 FGADRP Cc1ccccc1[C@H]([NH3+])C(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000294958134 498862794 /nfs/dbraw/zinc/86/27/94/498862794.db2.gz FSKFYJZVOYGXFE-IBGZPJMESA-N 2 0 355.507 3.182 20 0 FGADRP C[C@H]1C[C@@H](C(=O)NC[C@@H]2CCC[N@H+](C)[C@H]2c2cccc(Cl)c2)CC[NH2+]1 ZINC000366416040 498915568 /nfs/dbraw/zinc/91/55/68/498915568.db2.gz DJUOSHBIGBGPAP-XPYUAMARSA-N 2 0 363.933 3.227 20 0 FGADRP C[NH+]1CCC2(CC1)C[C@H](N[C@@H]1CC[N@@H+]3CCC[C@@H]3C1)c1ccccc1O2 ZINC000366467133 498941284 /nfs/dbraw/zinc/94/12/84/498941284.db2.gz BFJCCOSBIXQIGQ-GGPKGHCWSA-N 2 0 355.526 3.191 20 0 FGADRP Cc1cccc(C)c1[C@H](C)[NH2+][C@@H](C)C(=O)N1CCN(c2ccccn2)CC1 ZINC000576271306 506118030 /nfs/dbraw/zinc/11/80/30/506118030.db2.gz VJSBWOGTXXXPHS-OALUTQOASA-N 2 0 366.509 3.086 20 0 FGADRP Cc1cccc(C)c1[C@H](C)[NH2+][C@H](C)C(=O)N1CCN(c2ccccn2)CC1 ZINC000576271307 506118309 /nfs/dbraw/zinc/11/83/09/506118309.db2.gz VJSBWOGTXXXPHS-RBUKOAKNSA-N 2 0 366.509 3.086 20 0 FGADRP C[C@@H]1CCC[N@@H+]1C1CCN(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)CC1 ZINC000366513326 498961049 /nfs/dbraw/zinc/96/10/49/498961049.db2.gz LZASYROCXPNXKW-MJGOQNOKSA-N 2 0 374.529 3.075 20 0 FGADRP CC[C@@H]([NH2+]Cc1c(C)nn(C)c1N1CCC[N@H+](C)CC1)c1ccccc1 ZINC000363779545 498987880 /nfs/dbraw/zinc/98/78/80/498987880.db2.gz AMXCPFUYDZDNHM-HXUWFJFHSA-N 2 0 355.530 3.111 20 0 FGADRP C[C@@H]([NH2+]C[C@H]1CCCN(Cc2cccnc2)C1)c1ccc2c(c1)OCCO2 ZINC000363787774 498992362 /nfs/dbraw/zinc/99/23/62/498992362.db2.gz VQXZRZBEBCICAZ-IEBWSBKVSA-N 2 0 367.493 3.416 20 0 FGADRP C[C@H]([NH2+]C[C@@H]1CCCN(Cc2cccnc2)C1)c1ccc2c(c1)OCCO2 ZINC000363787773 498992462 /nfs/dbraw/zinc/99/24/62/498992462.db2.gz VQXZRZBEBCICAZ-HKUYNNGSSA-N 2 0 367.493 3.416 20 0 FGADRP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000288360348 499004045 /nfs/dbraw/zinc/00/40/45/499004045.db2.gz KPQWDZSCMJMAPV-CTNGQTDRSA-N 2 0 369.553 3.374 20 0 FGADRP C[C@H]1CN(C(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)CC[N@@H+](C2CC2)C1 ZINC000295413195 499009381 /nfs/dbraw/zinc/00/93/81/499009381.db2.gz SNNJCIHGCZIJLV-LJQANCHMSA-N 2 0 369.553 3.231 20 0 FGADRP C[C@@H]([NH2+]Cc1ccnc(OC(F)F)c1)c1cccc(OCC[NH+](C)C)c1 ZINC000284364912 499095206 /nfs/dbraw/zinc/09/52/06/499095206.db2.gz NGCDBJWLONUWPX-CQSZACIVSA-N 2 0 365.424 3.474 20 0 FGADRP [NH3+][C@H]1CCC[C@H]([NH2+]C2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)C1 ZINC000570293459 506135165 /nfs/dbraw/zinc/13/51/65/506135165.db2.gz LILBDDBTISXPDA-ZFWWWQNUSA-N 2 0 369.431 3.170 20 0 FGADRP CC[NH+](CC)Cc1ccc(C(=O)N2CC[C@@H](Oc3ccncc3)C2)cc1 ZINC000364169039 499126977 /nfs/dbraw/zinc/12/69/77/499126977.db2.gz OGHDHCQXUDZSQL-HXUWFJFHSA-N 2 0 353.466 3.217 20 0 FGADRP CC(C)(C)OC(=O)N[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CCC[NH+]1CCCCC1 ZINC000372557751 499145691 /nfs/dbraw/zinc/14/56/91/499145691.db2.gz OVUZDRPNCQUWGS-BCDXTJNWSA-N 2 0 351.535 3.383 20 0 FGADRP CC[NH+](CC)Cc1ccc(C(=O)N2CCC(C[NH+]3CCCC3)CC2)cc1 ZINC000372562947 499146214 /nfs/dbraw/zinc/14/62/14/499146214.db2.gz HTWUJBCLVQELDT-UHFFFAOYSA-N 2 0 357.542 3.476 20 0 FGADRP C[NH+]1CCN(C[C@H]2CCC[N@H+](Cc3cc(Cl)cc4cccnc43)C2)CC1 ZINC000367111300 499150402 /nfs/dbraw/zinc/15/04/02/499150402.db2.gz VUPLYCDEKCGDOC-QGZVFWFLSA-N 2 0 372.944 3.348 20 0 FGADRP CN1C[C@@H](C[NH2+]C2CCN(CCC(F)(F)F)CC2)Cc2ccccc21 ZINC000372685111 499160704 /nfs/dbraw/zinc/16/07/04/499160704.db2.gz SIEGNZUOAAFAAG-OAHLLOKOSA-N 2 0 355.448 3.302 20 0 FGADRP Cc1ccncc1CCC[N@@H+](C)C[C@@H]1C[C@H](F)CN1Cc1nccs1 ZINC000367377924 499191373 /nfs/dbraw/zinc/19/13/73/499191373.db2.gz NFCRVXLZQZPHDX-ROUUACIJSA-N 2 0 362.518 3.324 20 0 FGADRP CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(F)c(C[NH+](C)C)c2)c2ccccc2C1 ZINC000370364373 499213463 /nfs/dbraw/zinc/21/34/63/499213463.db2.gz FRSUVHODWTVYHX-JOCHJYFZSA-N 2 0 369.484 3.470 20 0 FGADRP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(C(=O)N3CCCCC3)cc2)[C@H]2CCC[C@@H]21 ZINC000367605898 499216998 /nfs/dbraw/zinc/21/69/98/499216998.db2.gz IIAPBLUIRFPRDB-HKBOAZHASA-N 2 0 355.526 3.275 20 0 FGADRP C[N@@H+]1CC[C@H]([NH2+]Cc2cccc(NC(=O)c3ccco3)c2)[C@@H]2CCC[C@@H]21 ZINC000367611327 499217579 /nfs/dbraw/zinc/21/75/79/499217579.db2.gz BQMSNTYGXAQPPV-FHWLQOOXSA-N 2 0 353.466 3.494 20 0 FGADRP CC[C@H]([NH2+]Cc1c(C)nn(C)c1N1CCC[N@H+](C)CC1)c1cccc(C)c1 ZINC000367619450 499218584 /nfs/dbraw/zinc/21/85/84/499218584.db2.gz WLSUIVLKXLMYRA-NRFANRHFSA-N 2 0 369.557 3.420 20 0 FGADRP C[C@@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)c1cccc(OC(F)(F)F)c1 ZINC000370634733 499238051 /nfs/dbraw/zinc/23/80/51/499238051.db2.gz MKRJWHCVRHBZCG-ZBFHGGJFSA-N 2 0 371.447 3.404 20 0 FGADRP C[C@@H]1C[N@H+](Cc2cccc(-c3ccccn3)c2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000370695616 499245113 /nfs/dbraw/zinc/24/51/13/499245113.db2.gz BUIDNBHTHKQNMC-AUSIDOKSSA-N 2 0 364.537 3.206 20 0 FGADRP CN(c1ccccc1C[N@@H+]1CC[C@H](C2CCOCC2)C1)C1CC[NH+](C)CC1 ZINC000370718966 499247804 /nfs/dbraw/zinc/24/78/04/499247804.db2.gz HNMQEKDOPSXQPU-FQEVSTJZSA-N 2 0 371.569 3.466 20 0 FGADRP C[C@H](C(=O)N1C[C@@H]2C[N@H+](C)[C@H](c3ccccc3)[C@H]2C1)[C@H]([NH3+])c1ccccc1 ZINC000370772359 499253319 /nfs/dbraw/zinc/25/33/19/499253319.db2.gz KXQMKGQKAYHQQW-ADNIJMRFSA-N 2 0 363.505 3.084 20 0 FGADRP C[C@H](c1ccc(N2CCCC2=O)cc1)[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000368025677 499256844 /nfs/dbraw/zinc/25/68/44/499256844.db2.gz XWQXAEBGYBRNFO-UMSONDCASA-N 2 0 371.525 3.058 20 0 FGADRP CC(C)[NH+]1CCC([NH2+][C@H]2CC23CCN(C(=O)OC(C)(C)C)CC3)CC1 ZINC000368045607 499259217 /nfs/dbraw/zinc/25/92/17/499259217.db2.gz QIQHQMDFKMVZJC-KRWDZBQOSA-N 2 0 351.535 3.238 20 0 FGADRP CC(C)c1ccccc1NC(=O)[C@H](C)[NH+]1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000570309915 506139372 /nfs/dbraw/zinc/13/93/72/506139372.db2.gz SBGAAOLLWKAVCW-MDKPJZGXSA-N 2 0 373.541 3.355 20 0 FGADRP C[C@H]([NH2+]Cc1ccnc(-n2ccnc2)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000368421217 499294165 /nfs/dbraw/zinc/29/41/65/499294165.db2.gz BZJFPIDSXLHHHO-RXVVDRJESA-N 2 0 361.493 3.268 20 0 FGADRP c1ccc(C[N@@H+]2CCCO[C@H](CN3CCC[C@H]([NH+]4CCCCC4)C3)C2)cc1 ZINC000368505030 499302787 /nfs/dbraw/zinc/30/27/87/499302787.db2.gz TYIPWITXDJVLLQ-GOTSBHOMSA-N 2 0 371.569 3.228 20 0 FGADRP C[NH+]1CCC(Oc2ccc(C[NH2+][C@@H]3CCO[C@@H](C(F)(F)F)C3)cc2)CC1 ZINC000368581699 499309889 /nfs/dbraw/zinc/30/98/89/499309889.db2.gz CFWXRDJXMOEWPJ-CRAIPNDOSA-N 2 0 372.431 3.359 20 0 FGADRP CCC[N@@H+]1CC[C@H](CNC(=O)NC2CC[NH+](C3CCC(C)CC3)CC2)C1 ZINC000368994021 499354614 /nfs/dbraw/zinc/35/46/14/499354614.db2.gz XEQVCJMTNNLCDW-QPIRBTGLSA-N 2 0 364.578 3.061 20 0 FGADRP CCC[NH+]1CCN(C2CC[NH+](Cc3cccc(OC(C)C)c3)CC2)CC1 ZINC000369158798 499372541 /nfs/dbraw/zinc/37/25/41/499372541.db2.gz YXHPJCRUHXOQMV-UHFFFAOYSA-N 2 0 359.558 3.466 20 0 FGADRP Cc1ncc(CN2CC[C@@H]([NH2+]C3CC[NH+](C(C)C)CC3)[C@@H](C)C2)s1 ZINC000372046241 499392714 /nfs/dbraw/zinc/39/27/14/499392714.db2.gz KFNVCUWSIXXLMN-HNAYVOBHSA-N 2 0 350.576 3.124 20 0 FGADRP CC(C)n1cc([C@@H](C)[NH2+]CC2(N3CC[NH+](C)CC3)CCCCCC2)cn1 ZINC000372066277 499395111 /nfs/dbraw/zinc/39/51/11/499395111.db2.gz YCEJBAYTWBOLRL-LJQANCHMSA-N 2 0 361.578 3.455 20 0 FGADRP CC(C)[C@H]1C[C@H]([NH2+]CCC2CC[NH+](C3CCN(C)CC3)CC2)CS1 ZINC000372980717 499445617 /nfs/dbraw/zinc/44/56/17/499445617.db2.gz PGZAYHCFIFPWDZ-AZUAARDMSA-N 2 0 353.620 3.302 20 0 FGADRP Cc1ccc(C[NH+]2CCC(CNC(=O)C3CC[NH+](C4CC4)CC3)CC2)cc1 ZINC000373321676 499463359 /nfs/dbraw/zinc/46/33/59/499463359.db2.gz GVRQOAHFUHHFNW-UHFFFAOYSA-N 2 0 369.553 3.198 20 0 FGADRP CO[C@H](c1ccccc1)[C@H](C)[NH2+]C[C@@H]1CCCN(C)[C@@H]1c1cnn(C)c1 ZINC000373366183 499465622 /nfs/dbraw/zinc/46/56/22/499465622.db2.gz PYUACQPCKLJSEM-GIUOSPMZSA-N 2 0 356.514 3.169 20 0 FGADRP Cc1cccc2c(CC[NH2+][C@@H]3CC[N@@H+](C[C@H]4CCCO4)C[C@H]3C)c[nH]c21 ZINC000378185924 499488549 /nfs/dbraw/zinc/48/85/49/499488549.db2.gz VCGNSILVAFIDIT-YFVAEKQCSA-N 2 0 355.526 3.498 20 0 FGADRP COc1ncc([C@H](C)N[C@@H]2CC[N@H+](C[C@H]3CCCO3)C[C@@H]2C)cc1Cl ZINC000375294975 499503983 /nfs/dbraw/zinc/50/39/83/499503983.db2.gz XXHJGFQISUWMCZ-KJGCVMFHSA-N 2 0 367.921 3.284 20 0 FGADRP Cc1nn(C)c(N2CCC[N@H+](C)CC2)c1C[NH2+][C@@H](c1ccccc1)C(C)C ZINC000378436199 499516699 /nfs/dbraw/zinc/51/66/99/499516699.db2.gz VRJXFKIAAMJDHT-OAQYLSRUSA-N 2 0 369.557 3.357 20 0 FGADRP C[NH+]1CCN(C[C@@H]2CCC[N@H+](CCCSCc3ccccc3)C2)CC1 ZINC000378435548 499516756 /nfs/dbraw/zinc/51/67/56/499516756.db2.gz OEZQJYMUSQEOBM-OAQYLSRUSA-N 2 0 361.599 3.269 20 0 FGADRP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCC([C@@H](O)c2ncc[nH]2)CC1 ZINC000375694678 499546151 /nfs/dbraw/zinc/54/61/51/499546151.db2.gz YYLMSPAAHOMCFS-HXUWFJFHSA-N 2 0 370.541 3.313 20 0 FGADRP c1cc(C[NH+]2CCC(NC[C@H]3CCC[N@@H+]3C3CCCCC3)CC2)ccn1 ZINC000376004584 499575420 /nfs/dbraw/zinc/57/54/20/499575420.db2.gz STDIMZNFGNIJJB-JOCHJYFZSA-N 2 0 356.558 3.433 20 0 FGADRP C[N@H+](C[C@H](O)Cc1cccc(Cl)c1)C1CCN(Cc2ccncc2)CC1 ZINC000376547372 499617291 /nfs/dbraw/zinc/61/72/91/499617291.db2.gz SUWNQCVJDKFOBM-OAQYLSRUSA-N 2 0 373.928 3.235 20 0 FGADRP CN(c1ccccc1C[N@@H+]1CC[C@H]([C@H]2CCOC2)C1)C1CC[NH+](C)CC1 ZINC000377235690 499672638 /nfs/dbraw/zinc/67/26/38/499672638.db2.gz DAVASMGOHOQVDC-ICSRJNTNSA-N 2 0 357.542 3.075 20 0 FGADRP C[NH+](C)CCOc1cnccc1C[NH2+]Cc1cccc(-c2cccnc2)c1 ZINC000377403011 499687332 /nfs/dbraw/zinc/68/73/32/499687332.db2.gz VSMDQUAHSHHNGX-UHFFFAOYSA-N 2 0 362.477 3.374 20 0 FGADRP COc1ccc(O)cc1[C@@H](C)[NH2+][C@@H]1CCCN(c2cc(C)nc(C)n2)C1 ZINC000377543825 499702578 /nfs/dbraw/zinc/70/25/78/499702578.db2.gz SLJHHMHPWFQQBE-GDBMZVCRSA-N 2 0 356.470 3.127 20 0 FGADRP C[NH+]1CCN(C[C@H]2CCC[N@H+](Cc3cccc(-c4cccnc4)c3)C2)CC1 ZINC000377626127 499712082 /nfs/dbraw/zinc/71/20/82/499712082.db2.gz NCZRJRXNQVPNFN-OAQYLSRUSA-N 2 0 364.537 3.208 20 0 FGADRP C[C@@H](CC[NH+](C)[C@@H]1CCN(C)[C@H](C)C1)CC[N@H+](C)[C@H]1CCN(C)[C@H](C)C1 ZINC000411331385 499726530 /nfs/dbraw/zinc/72/65/30/499726530.db2.gz MMYCYJYKABSOMU-CSEOROSGSA-N 2 0 366.638 3.232 20 0 FGADRP COC[C@@H]([NH2+]C[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)C1CCOCC1 ZINC000377741914 499727191 /nfs/dbraw/zinc/72/71/91/499727191.db2.gz XDNQMJAOJYITLK-RBBKRZOGSA-N 2 0 360.542 3.320 20 0 FGADRP CC(C)[NH+]1CCC(NC(=O)C[NH2+][C@@H](c2ccc(F)cc2)C2CCC2)CC1 ZINC000411362361 499729646 /nfs/dbraw/zinc/72/96/46/499729646.db2.gz IJVWEIQADYWYPB-OAQYLSRUSA-N 2 0 361.505 3.246 20 0 FGADRP COc1cc(C[NH2+]C[C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)cc(OC)c1OC ZINC000377763208 499730232 /nfs/dbraw/zinc/73/02/32/499730232.db2.gz RDAUZXHXSMCJBN-WIYYLYMNSA-N 2 0 370.493 3.495 20 0 FGADRP C[N@@H+]1CC[C@@H](CNC(=O)C23CCC[NH+]2CCC3)[C@H]1c1cccc(Cl)c1 ZINC000377899692 499746312 /nfs/dbraw/zinc/74/63/12/499746312.db2.gz FBMMINRZUIZILJ-FUHWJXTLSA-N 2 0 361.917 3.077 20 0 FGADRP C[N@@H+]1CC[C@H](CNC(=O)C23CCC[NH+]2CCC3)[C@@H]1c1cccc(Cl)c1 ZINC000377899688 499746370 /nfs/dbraw/zinc/74/63/70/499746370.db2.gz FBMMINRZUIZILJ-AEFFLSMTSA-N 2 0 361.917 3.077 20 0 FGADRP C[C@@H]([NH2+]CCC1CC[NH+](C2CCN(C)CC2)CC1)c1ccc2c(c1)OCO2 ZINC000378180957 499762320 /nfs/dbraw/zinc/76/23/20/499762320.db2.gz ARQWPVAHKUXCOX-QGZVFWFLSA-N 2 0 373.541 3.262 20 0 FGADRP C[C@@H]([NH2+]CCCN1CCC[N@H+](C)CC1)c1csc(-c2ccccc2)n1 ZINC000414130063 499762985 /nfs/dbraw/zinc/76/29/85/499762985.db2.gz VVIFBAIKBYDHOW-QGZVFWFLSA-N 2 0 358.555 3.488 20 0 FGADRP OC1(C[NH2+][C@@H]2CCCC[C@H]2[C@@H]2CCOC2)CC[NH+](Cc2ccccc2)CC1 ZINC000414294291 499775183 /nfs/dbraw/zinc/77/51/83/499775183.db2.gz BXFTZIFETZXIFB-BHIFYINESA-N 2 0 372.553 3.198 20 0 FGADRP NC(=O)C1CC[NH+](Cc2ccc(C[NH2+][C@@H]3CC[C@@H]3C3CCC3)cc2)CC1 ZINC000414335001 499778531 /nfs/dbraw/zinc/77/85/31/499778531.db2.gz HBCDTJXIQHXTGB-NHCUHLMSSA-N 2 0 355.526 3.052 20 0 FGADRP Cc1cccc(C)c1C[NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000414552651 499807722 /nfs/dbraw/zinc/80/77/22/499807722.db2.gz HBIGBSWRLVAAAZ-UHFFFAOYSA-N 2 0 365.521 3.291 20 0 FGADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@H]1CCN(c2ccc(F)cc2)C1 ZINC000414583872 499811654 /nfs/dbraw/zinc/81/16/54/499811654.db2.gz MISUNINNASIILR-SFHVURJKSA-N 2 0 351.429 3.083 20 0 FGADRP CC(C)(C)c1ccc([C@@H]2CCC[N@@H+]2C[C@H]2CCCN(C(=O)C[NH3+])C2)cc1 ZINC000414679879 499819777 /nfs/dbraw/zinc/81/97/77/499819777.db2.gz SHCUFWYZGSRQDW-XLIONFOSSA-N 2 0 357.542 3.318 20 0 FGADRP [NH3+]CC(=O)N1CCC[C@H](C[NH+]2CCC(c3cccc4ccccc43)CC2)C1 ZINC000414754429 499826758 /nfs/dbraw/zinc/82/67/58/499826758.db2.gz XXMMPAPBYFBDBN-GOSISDBHSA-N 2 0 365.521 3.217 20 0 FGADRP C[C@H]1c2cc(Cl)cc(Cl)c2CC[N@H+]1C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414753831 499826911 /nfs/dbraw/zinc/82/69/11/499826911.db2.gz NAVZACBUABYYNH-QWHCGFSZSA-N 2 0 370.324 3.110 20 0 FGADRP CCC[N@H+](C[C@@H]1CC[NH2+][C@@H](C)C1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000414755162 499827197 /nfs/dbraw/zinc/82/71/97/499827197.db2.gz YZQLEODARXVCSQ-RBUKOAKNSA-N 2 0 357.542 3.391 20 0 FGADRP c1cc(COc2ccc(C[N@@H+]3CCC[C@H]([C@H]4CC[NH2+]C4)C3)cc2)ccn1 ZINC000414773222 499829253 /nfs/dbraw/zinc/82/92/53/499829253.db2.gz DDZLCMLOQIVSHG-SFTDATJTSA-N 2 0 351.494 3.482 20 0 FGADRP Cc1nc(COc2ccc(C[NH2+]Cc3ccc([C@@H](C)[NH3+])cc3)cc2)no1 ZINC000414810113 499833569 /nfs/dbraw/zinc/83/35/69/499833569.db2.gz NMLADLSWXYKJMS-CQSZACIVSA-N 2 0 352.438 3.267 20 0 FGADRP CCC[NH+]1CCN(c2ccccc2C[NH2+]C[C@@H](N)c2ccccc2)CC1 ZINC000414828874 499834990 /nfs/dbraw/zinc/83/49/90/499834990.db2.gz JRCQKLFYUHHBLL-OAQYLSRUSA-N 2 0 352.526 3.008 20 0 FGADRP COc1cccc(-c2nn(C(C)(C)C)cc2C[NH2+]CC[C@H]2CC[NH2+]C2)c1 ZINC000414832785 499835638 /nfs/dbraw/zinc/83/56/38/499835638.db2.gz OWJGZBIASDDONP-MRXNPFEDSA-N 2 0 356.514 3.403 20 0 FGADRP COc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]CC1([NH3+])CCCCC1 ZINC000414838658 499836101 /nfs/dbraw/zinc/83/61/01/499836101.db2.gz INDCTZOFWQMNRO-CYBMUJFWSA-N 2 0 353.894 3.317 20 0 FGADRP COc1cc(C[NH2+]CC[C@H]2CCC[NH2+]C2)ccc1OCc1ccncc1 ZINC000414839143 499836256 /nfs/dbraw/zinc/83/62/56/499836256.db2.gz LWIRMJXVEPXQTI-QGZVFWFLSA-N 2 0 355.482 3.149 20 0 FGADRP COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000414842481 499836870 /nfs/dbraw/zinc/83/68/70/499836870.db2.gz OXDGDRSCGYIBPP-KBPBESRZSA-N 2 0 353.894 3.045 20 0 FGADRP C[C@H]([NH2+]C1CCN(Cc2c(F)cccc2Cl)CC1)[C@H]1CCC[NH2+]C1 ZINC000414853532 499838198 /nfs/dbraw/zinc/83/81/98/499838198.db2.gz KXJXGLVECOPKPH-GJZGRUSLSA-N 2 0 353.913 3.421 20 0 FGADRP CCOc1c(Br)cc(C[NH2+][C@H](C)[C@H]2CCC[NH2+]C2)cc1OC ZINC000414858305 499838530 /nfs/dbraw/zinc/83/85/30/499838530.db2.gz RFMDCGYLCOCQFO-OCCSQVGLSA-N 2 0 371.319 3.334 20 0 FGADRP Cc1nn(-c2ccc(Br)cc2)c(C)c1C[NH2+][C@H](C)CC[NH3+] ZINC000414889211 499841748 /nfs/dbraw/zinc/84/17/48/499841748.db2.gz GBGYCNGPFXKJLT-LLVKDONJSA-N 2 0 351.292 3.079 20 0 FGADRP C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+]C[C@@]1(C)CCC[NH2+]C1 ZINC000414906083 499843701 /nfs/dbraw/zinc/84/37/01/499843701.db2.gz LZEWMCSCZDDHTR-DYVFJYSZSA-N 2 0 368.319 3.146 20 0 FGADRP C[C@@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+]C[C@]1(C)CCC[NH2+]C1 ZINC000414916706 499844393 /nfs/dbraw/zinc/84/43/93/499844393.db2.gz QDOQADNNXKQNCY-SUMWQHHRSA-N 2 0 373.419 3.282 20 0 FGADRP C[C@@]1(C[NH2+]Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)CCC[NH2+]C1 ZINC000414919795 499844728 /nfs/dbraw/zinc/84/47/28/499844728.db2.gz XRRJADOZWQOGPW-QGZVFWFLSA-N 2 0 352.404 3.370 20 0 FGADRP COc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000414981579 499851307 /nfs/dbraw/zinc/85/13/07/499851307.db2.gz YBPNERNXNNEDHE-HIFRSBDPSA-N 2 0 353.894 3.188 20 0 FGADRP CCC[C@H](CCc1ccccc1)[NH2+][C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC000414984400 499851441 /nfs/dbraw/zinc/85/14/41/499851441.db2.gz GJMNXKXPJJPIII-SJBKTWHCSA-N 2 0 357.542 3.024 20 0 FGADRP CC[C@@H]([NH3+])CNCc1cn(Cc2ccccc2)nc1-c1ccc(OC)cc1 ZINC000414985631 499851524 /nfs/dbraw/zinc/85/15/24/499851524.db2.gz WGOBSYNFYSOQDQ-HXUWFJFHSA-N 2 0 364.493 3.434 20 0 FGADRP [NH3+][C@@H]1CCC[C@@H](C[NH2+]Cc2cnn(-c3ccc(Br)cc3)c2)C1 ZINC000414994633 499852559 /nfs/dbraw/zinc/85/25/59/499852559.db2.gz MJAPLPOEDQRGHM-CZUORRHYSA-N 2 0 363.303 3.242 20 0 FGADRP Fc1ccc([C@@H]2CC[NH2+]C[C@@H]2C[NH2+]C2CCN(CC(F)(F)F)CC2)cc1 ZINC000414997390 499853273 /nfs/dbraw/zinc/85/32/73/499853273.db2.gz HGVZQPROVMIIJR-QAPCUYQASA-N 2 0 373.438 3.135 20 0 FGADRP C[C@@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000415002460 499853729 /nfs/dbraw/zinc/85/37/29/499853729.db2.gz DONIOZIFDOKWCC-ZOCIIQOWSA-N 2 0 363.933 3.055 20 0 FGADRP COc1cc(C[NH2+]C[C@@H]2CCC[C@H]([NH3+])C2)ccc1OCc1ccncc1 ZINC000415005557 499854350 /nfs/dbraw/zinc/85/43/50/499854350.db2.gz PEYJYZVOFBYDTQ-MJGOQNOKSA-N 2 0 355.482 3.276 20 0 FGADRP COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000415005383 499854435 /nfs/dbraw/zinc/85/44/35/499854435.db2.gz JFVMXOUILWGOHL-VBNZEHGJSA-N 2 0 365.905 3.043 20 0 FGADRP C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@@H](C)CCCC[NH3+] ZINC000415014553 499855169 /nfs/dbraw/zinc/85/51/69/499855169.db2.gz MROZUOAOVPIMDF-QWHCGFSZSA-N 2 0 356.308 3.273 20 0 FGADRP COc1cc(C[NH2+][C@H]2CC[C@@H](C[NH3+])C2)cc(OC)c1OCc1ccccc1 ZINC000415046357 499857846 /nfs/dbraw/zinc/85/78/46/499857846.db2.gz VBLZMTNXECXQFJ-MJGOQNOKSA-N 2 0 370.493 3.500 20 0 FGADRP Cc1ccc(-c2ncc(C[NH2+]C3CCC(N4CC[NH2+]CC4)CC3)s2)cc1 ZINC000415046684 499857850 /nfs/dbraw/zinc/85/78/50/499857850.db2.gz DESIFKXYLQTRAT-UHFFFAOYSA-N 2 0 370.566 3.425 20 0 FGADRP FC(F)(F)c1cccc(CN2CCC([NH2+][C@H]3CCC[NH2+]CC3)CC2)c1 ZINC000415096963 499863075 /nfs/dbraw/zinc/86/30/75/499863075.db2.gz CHCVIESOABPQAI-KRWDZBQOSA-N 2 0 355.448 3.402 20 0 FGADRP CCC[C@H]([NH2+]C[C@H]1CCCN(C(=O)C[NH3+])C1)c1cccc(C(F)(F)F)c1 ZINC000415107230 499864691 /nfs/dbraw/zinc/86/46/91/499864691.db2.gz NNYACGMBEXXCBR-PBHICJAKSA-N 2 0 371.447 3.334 20 0 FGADRP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000415111914 499865273 /nfs/dbraw/zinc/86/52/73/499865273.db2.gz RJUMFILJQJWXKV-VXKWHMMOSA-N 3 0 373.585 3.363 20 0 FGADRP [NH3+][C@@H]1CCO[C@@H](C2CC[NH+](Cc3ccc(OCC(F)F)cc3)CC2)C1 ZINC000415123101 499866528 /nfs/dbraw/zinc/86/65/28/499866528.db2.gz KXOACJSQZCTBSJ-SJLPKXTDSA-N 2 0 354.441 3.049 20 0 FGADRP Cc1ccc(C[NH+]2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)c(Br)c1 ZINC000415122350 499866562 /nfs/dbraw/zinc/86/65/62/499866562.db2.gz JWKRUAQDJRMEGH-AEFFLSMTSA-N 2 0 367.331 3.476 20 0 FGADRP CCCc1csc(CNCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)n1 ZINC000415123970 499866946 /nfs/dbraw/zinc/86/69/46/499866946.db2.gz BPWVZLZOXLVCSH-UHFFFAOYSA-N 2 0 358.555 3.179 20 0 FGADRP COc1cc(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)ccc1OCc1ccncc1 ZINC000415133215 499868599 /nfs/dbraw/zinc/86/85/99/499868599.db2.gz UYIAXEMEWMGMQZ-VQIMIIECSA-N 2 0 355.482 3.086 20 0 FGADRP [NH3+][C@H]1CCCO[C@H]1C1CC[NH+](Cc2ccccc2Br)CC1 ZINC000415134929 499868747 /nfs/dbraw/zinc/86/87/47/499868747.db2.gz WLJDQWUXDUEVMC-IRXDYDNUSA-N 2 0 353.304 3.167 20 0 FGADRP CN(c1ccccc1CN1C[C@@H]([NH3+])Cc2ccccc21)C1CC[NH+](C)CC1 ZINC000415137858 499869010 /nfs/dbraw/zinc/86/90/10/499869010.db2.gz NZQKWUJWMGZABU-FQEVSTJZSA-N 2 0 364.537 3.107 20 0 FGADRP c1cc(-c2ncc(C[N@@H+]3CC4(CC[NH2+]CC4)[C@@H]4COC[C@@H]43)s2)cs1 ZINC000415142051 499869472 /nfs/dbraw/zinc/86/94/72/499869472.db2.gz QPFXUPJVRQPICL-CVEARBPZSA-N 2 0 361.536 3.072 20 0 FGADRP C[NH+](C)[C@H]1CCc2cc(NC(=O)N3CCC([NH2+]CC4CC4)CC3)ccc21 ZINC000415780837 499918520 /nfs/dbraw/zinc/91/85/20/499918520.db2.gz BYCSYNJZUJIGIO-FQEVSTJZSA-N 2 0 356.514 3.231 20 0 FGADRP CC1CC[NH+](C[C@@H]2CCCN(C(=O)Nc3ccc4c(c3)C[NH2+]CC4)C2)CC1 ZINC000415879745 499923690 /nfs/dbraw/zinc/92/36/90/499923690.db2.gz CJLMBLATCMONDM-SFHVURJKSA-N 2 0 370.541 3.308 20 0 FGADRP C[NH2+]Cc1ccccc1NC(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000415922962 499928693 /nfs/dbraw/zinc/92/86/93/499928693.db2.gz OFOXMOWVAZZIRS-SFHVURJKSA-N 2 0 352.482 3.050 20 0 FGADRP CC[NH2+]Cc1ccccc1NC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000415933290 499930284 /nfs/dbraw/zinc/93/02/84/499930284.db2.gz PKLKUXPNACMQEE-WOJBJXKFSA-N 2 0 352.482 3.363 20 0 FGADRP CC[NH2+]Cc1ccccc1NC(=O)NC[C@@H](c1cccc(OC)c1)[NH+](C)C ZINC000415945546 499931789 /nfs/dbraw/zinc/93/17/89/499931789.db2.gz RIFZDZNRLOCQBA-FQEVSTJZSA-N 2 0 370.497 3.229 20 0 FGADRP COc1cccc([C@H](CNC(=O)Nc2ccc(C[NH3+])cc2)[NH+]2CCCC2)c1 ZINC000415953965 499933059 /nfs/dbraw/zinc/93/30/59/499933059.db2.gz HWFFMZKCTKXTNU-FQEVSTJZSA-N 2 0 368.481 3.113 20 0 FGADRP CCC[NH+]1CCC(CNC(=O)Nc2cc(C[NH3+])cc(C(F)(F)F)c2)CC1 ZINC000415960415 499933630 /nfs/dbraw/zinc/93/36/30/499933630.db2.gz BBKWBCHEWMEMKG-UHFFFAOYSA-N 2 0 372.435 3.408 20 0 FGADRP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000415961362 499933919 /nfs/dbraw/zinc/93/39/19/499933919.db2.gz RBXPLNXHJRAMLY-INIZCTEOSA-N 2 0 362.493 3.248 20 0 FGADRP C[NH2+]Cc1ccc(NC(=O)NCC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000415974138 499936011 /nfs/dbraw/zinc/93/60/11/499936011.db2.gz PXUCCDUQISLEII-UHFFFAOYSA-N 2 0 366.509 3.440 20 0 FGADRP C[C@@H]1C[C@H](N(C)C(=O)Nc2cc(C[NH3+])cc(C(F)(F)F)c2)CC[N@@H+]1C ZINC000415974735 499936012 /nfs/dbraw/zinc/93/60/12/499936012.db2.gz SASZXYVMFRPRGL-IAQYHMDHSA-N 2 0 358.408 3.111 20 0 FGADRP C[NH2+]Cc1ccc(NC(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)cc1 ZINC000415972848 499936041 /nfs/dbraw/zinc/93/60/41/499936041.db2.gz NDZGNIBMEKFWOT-FQEVSTJZSA-N 2 0 366.509 3.092 20 0 FGADRP C[C@H](CCNC(=O)N[C@H](C)C(C)(C)C[NH+](C)C)[N@H+](C)Cc1ccccc1 ZINC000428957369 499968412 /nfs/dbraw/zinc/96/84/12/499968412.db2.gz QONOHFBVXYUOIE-QZTJIDSGSA-N 2 0 362.562 3.173 20 0 FGADRP C[C@@H](NC(=O)NCC(C)(C)[N@@H+]1CCc2ccccc2C1)C(C)(C)C[NH+](C)C ZINC000428955850 499968453 /nfs/dbraw/zinc/96/84/53/499968453.db2.gz WINWUYSDJMJBLH-QGZVFWFLSA-N 2 0 374.573 3.099 20 0 FGADRP C[NH+](C)Cc1ccc(CNC(=O)C[C@@H](c2ccccc2)[NH+](C)C)cc1F ZINC000416186275 499972973 /nfs/dbraw/zinc/97/29/73/499972973.db2.gz ZTEBZAGNXKSOHE-FQEVSTJZSA-N 2 0 357.473 3.197 20 0 FGADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)NC[C@@H]2CCCC[NH+]2C2CC2)C1 ZINC000429098862 500003167 /nfs/dbraw/zinc/00/31/67/500003167.db2.gz QDRVSOUIEKUNSO-QFUCXCTJSA-N 2 0 370.541 3.138 20 0 FGADRP C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)NCC[C@@H]2CC[NH2+]C2)c1 ZINC000429107982 500005236 /nfs/dbraw/zinc/00/52/36/500005236.db2.gz SCHHBOBIOLSFNJ-SFHVURJKSA-N 2 0 351.494 3.048 20 0 FGADRP CC[C@@H](C(=O)N[C@H](c1ccc(F)c(F)c1)C(C)(C)[NH+]1CCCC1)[NH+](C)C ZINC000413681977 500022853 /nfs/dbraw/zinc/02/28/53/500022853.db2.gz FRAGXLOPGYPCJG-ZWKOTPCHSA-N 2 0 367.484 3.337 20 0 FGADRP CCCN1C[C@H](C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CC1=O ZINC000421351366 500023006 /nfs/dbraw/zinc/02/30/06/500023006.db2.gz MHQSVBUUBUQEHI-MYGLTJDJSA-N 2 0 369.553 3.135 20 0 FGADRP Cc1ccc([C@H](CNC(=O)N2CCCC[C@H]2[C@@H]2CCC[NH2+]C2)[NH+](C)C)cc1 ZINC000417310808 500036464 /nfs/dbraw/zinc/03/64/64/500036464.db2.gz KXTPGIIZJBLONF-HKBOAZHASA-N 2 0 372.557 3.161 20 0 FGADRP CCCN(C(=O)NC[C@H](c1ccc(C)cc1)[NH+]1CCCC1)C1CC[NH2+]CC1 ZINC000417351944 500047220 /nfs/dbraw/zinc/04/72/20/500047220.db2.gz DWFWCMHXIFVPHN-OAQYLSRUSA-N 2 0 372.557 3.306 20 0 FGADRP COc1cc2[nH+]ccc(N[C@@H]3CC[N@H+](C)[C@H](C)C3)c2cc1Br ZINC000425225416 500049430 /nfs/dbraw/zinc/04/94/30/500049430.db2.gz FVDRHQNUWRDGQY-VXGBXAGGSA-N 2 0 364.287 3.322 20 0 FGADRP CS[C@@H]1CC[C@H]1[NH2+]Cc1cccc(OCC[N@H+](C)C2CCOCC2)c1 ZINC000425350989 500082969 /nfs/dbraw/zinc/08/29/69/500082969.db2.gz LVFKMFRZKMZMIW-WOJBJXKFSA-N 2 0 364.555 3.160 20 0 FGADRP CO[C@@H](C[NH+]1CCCC2(CCC[N@@H+](C[C@H](OC)C3CC3)C2)C1)C1CC1 ZINC000425440054 500106958 /nfs/dbraw/zinc/10/69/58/500106958.db2.gz COEVCVKPXGPPEQ-AHTKWCMKSA-N 2 0 350.547 3.014 20 0 FGADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCc2ccc([C@H](C)[NH3+])cc2)C1 ZINC000417585539 500117949 /nfs/dbraw/zinc/11/79/49/500117949.db2.gz PIQXGVYUEBYVOZ-DLBZAZTESA-N 2 0 360.546 3.406 20 0 FGADRP C[C@@H]([NH3+])c1ccc(CNC(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)cc1 ZINC000416820185 500129177 /nfs/dbraw/zinc/12/91/77/500129177.db2.gz TYPCNEZPPWGAEL-VQIMIIECSA-N 2 0 370.497 3.326 20 0 FGADRP CC[NH+](CC)Cc1ccc(CNC(=O)N2CCC(CC[NH2+]C)CC2)cc1 ZINC000416877692 500145612 /nfs/dbraw/zinc/14/56/12/500145612.db2.gz BKBKIAMSNMLAJT-UHFFFAOYSA-N 2 0 360.546 3.060 20 0 FGADRP CCCN(C(=O)NCc1ccc(C[NH+](CC)CC)cc1)C1CC[NH2+]CC1 ZINC000416885933 500147902 /nfs/dbraw/zinc/14/79/02/500147902.db2.gz MVEDQWSHKFIIHR-UHFFFAOYSA-N 2 0 360.546 3.202 20 0 FGADRP CC[NH+](CC)Cc1ccc(CNC(=O)N2CCC3(CC[NH2+]CC3)CC2)cc1 ZINC000416885969 500148052 /nfs/dbraw/zinc/14/80/52/500148052.db2.gz MYLFUEIIMHGVFO-UHFFFAOYSA-N 2 0 372.557 3.204 20 0 FGADRP CCCN(C(=O)NCc1ccccc1C[NH+](CC)CC)C1CC[NH2+]CC1 ZINC000416891193 500148553 /nfs/dbraw/zinc/14/85/53/500148553.db2.gz NATXWCQPFFOULY-UHFFFAOYSA-N 2 0 360.546 3.202 20 0 FGADRP CC[NH+](CC)Cc1ccccc1CNC(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000416898240 500150133 /nfs/dbraw/zinc/15/01/33/500150133.db2.gz ZHPGXBDGZOOSFT-IYARVYRRSA-N 2 0 360.546 3.093 20 0 FGADRP CCC(CC)(CNC(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1)[NH2+][C@H](C)c1ccccc1 ZINC000417695619 500150342 /nfs/dbraw/zinc/15/03/42/500150342.db2.gz BKDZUQPCFHWMQT-HOJAQTOUSA-N 2 0 372.557 3.289 20 0 FGADRP CCC(CC)(CNC(=O)N1CCC[C@H]([NH2+]C)C1)[NH2+][C@H](C)c1ccccc1 ZINC000417697365 500151383 /nfs/dbraw/zinc/15/13/83/500151383.db2.gz DQEHBSXLBSENKU-MJGOQNOKSA-N 2 0 360.546 3.289 20 0 FGADRP C[C@H]([NH2+]C1(CNC(=O)NCC[C@H]2CCC[NH2+]2)CCCC1)c1ccccc1 ZINC000417700916 500152089 /nfs/dbraw/zinc/15/20/89/500152089.db2.gz JAZFGLYBAOAKLC-PKOBYXMFSA-N 2 0 358.530 3.091 20 0 FGADRP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N[C@@H](C[NH3+])C2CCCC2)CC1 ZINC000417698276 500152105 /nfs/dbraw/zinc/15/21/05/500152105.db2.gz XGYTVFSLPJZXSZ-UZLBHIALSA-N 2 0 358.530 3.029 20 0 FGADRP CC(C)c1ccc([C@H]([NH3+])CNC(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)cc1 ZINC000417702893 500152922 /nfs/dbraw/zinc/15/29/22/500152922.db2.gz JEOLDPDOYQXRIN-AZUAARDMSA-N 2 0 358.530 3.126 20 0 FGADRP C[C@@H](CCCC[NH3+])NC(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCCC1 ZINC000417710111 500154404 /nfs/dbraw/zinc/15/44/04/500154404.db2.gz UHSNISMLFSQRAX-ROUUACIJSA-N 2 0 360.546 3.467 20 0 FGADRP COc1cc(Cl)ccc1[C@@H](C)[NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000421822176 500159208 /nfs/dbraw/zinc/15/92/08/500159208.db2.gz WEIDMTLEOBGMHY-OAHLLOKOSA-N 2 0 374.916 3.346 20 0 FGADRP O=C(CC[NH2+]CCCCn1ccnc1)Nc1ccc(Br)cc1 ZINC000573358499 506179462 /nfs/dbraw/zinc/17/94/62/506179462.db2.gz IXLDWPPERMWLDG-UHFFFAOYSA-N 2 0 365.275 3.044 20 0 FGADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H](c2ccc(OC)cc2F)C(C)C)CC1 ZINC000421822668 500159787 /nfs/dbraw/zinc/15/97/87/500159787.db2.gz XQMYAXVIHNLZHF-UZLBHIALSA-N 2 0 351.510 3.147 20 0 FGADRP C[C@H]([NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1)c1ccncc1Cl ZINC000421828396 500160839 /nfs/dbraw/zinc/16/08/39/500160839.db2.gz CNXCFXDYCDNSKB-AWEZNQCLSA-N 2 0 366.937 3.012 20 0 FGADRP C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)N3CC[C@@H](C)[C@@H](C[NH3+])C3)cc2)C1 ZINC000416968520 500169225 /nfs/dbraw/zinc/16/92/25/500169225.db2.gz JHTUOBKJSDDJOG-OPYAIIAOSA-N 2 0 372.557 3.045 20 0 FGADRP C[C@H]([NH3+])C1CCN(C(=O)NCc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)CC1 ZINC000416969117 500169312 /nfs/dbraw/zinc/16/93/12/500169312.db2.gz KEZJBEGZYFNCRP-ROUUACIJSA-N 2 0 372.557 3.187 20 0 FGADRP C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)NCCC3=CC[NH2+]CC3)cc2)C1 ZINC000416969990 500170228 /nfs/dbraw/zinc/17/02/28/500170228.db2.gz MJQVCTZKDFCXCC-GOSISDBHSA-N 2 0 370.541 3.028 20 0 FGADRP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000416971852 500170552 /nfs/dbraw/zinc/17/05/52/500170552.db2.gz HRMOBLZAADZXSU-LVCYWYKZSA-N 2 0 372.557 3.472 20 0 FGADRP Cc1ccccc1C[NH+]1CCC(NC(=O)NCC2([NH3+])CCCCCC2)CC1 ZINC000416974430 500172288 /nfs/dbraw/zinc/17/22/88/500172288.db2.gz LJFAGKQKLRARIZ-UHFFFAOYSA-N 2 0 372.557 3.310 20 0 FGADRP C[C@@H]1[C@@H](NC(=O)Nc2ccccc2-c2ncc3n2CCCC3)CCC[N@@H+]1C ZINC000425669309 500175996 /nfs/dbraw/zinc/17/59/96/500175996.db2.gz CKJHUNDPYGSTCH-QAPCUYQASA-N 2 0 367.497 3.491 20 0 FGADRP C[NH2+]C[C@@H]1CCCN1C(=O)NCc1ccc(C[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000416997954 500179979 /nfs/dbraw/zinc/17/99/79/500179979.db2.gz WLRQLUURIQTVFA-WFXMLNOXSA-N 2 0 372.557 3.058 20 0 FGADRP CC[NH2+]CC1CCN(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000417837474 500181226 /nfs/dbraw/zinc/18/12/26/500181226.db2.gz MKWAUYMQIVSMSR-GHTZIAJQSA-N 2 0 372.557 3.071 20 0 FGADRP C[C@H](CCCC[NH3+])NC(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000417003784 500181832 /nfs/dbraw/zinc/18/18/32/500181832.db2.gz VWQMQWURYOMWFO-QAPCUYQASA-N 2 0 366.937 3.294 20 0 FGADRP C[NH+](C)[C@@H](CNC(=O)N[C@H](CCC[NH3+])c1ccccc1)C1CCCCC1 ZINC000417009344 500183431 /nfs/dbraw/zinc/18/34/31/500183431.db2.gz KGWUWQJISPXLRK-UXHICEINSA-N 2 0 360.546 3.276 20 0 FGADRP CCCC[N@H+](CC)Cc1cccc(CNC(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000417873286 500188517 /nfs/dbraw/zinc/18/85/17/500188517.db2.gz IZSZPMNJNVXPNH-RTWAWAEBSA-N 2 0 372.557 3.345 20 0 FGADRP CCCC[N@H+](CC)Cc1cccc(CNC(=O)NC2(C)CC[NH2+]CC2)c1 ZINC000417884524 500191808 /nfs/dbraw/zinc/19/18/08/500191808.db2.gz TWFHQYJMDXKYBB-UHFFFAOYSA-N 2 0 360.546 3.250 20 0 FGADRP CC(C)c1ccc([C@@H]([NH3+])CNC(=O)NC2CCC(C[NH+](C)C)CC2)cc1 ZINC000417942836 500201670 /nfs/dbraw/zinc/20/16/70/500201670.db2.gz UGICKODPSOWKPF-GQOXECLESA-N 2 0 360.546 3.229 20 0 FGADRP CC[NH+]1CCC(N2CCCN(C(=O)NC3C[C@H](C)C[C@@H](C)C3)CC2)CC1 ZINC000422224334 500237399 /nfs/dbraw/zinc/23/73/99/500237399.db2.gz DZEDIGVXSCOLOV-QZTJIDSGSA-N 2 0 364.578 3.013 20 0 FGADRP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000418151217 500238455 /nfs/dbraw/zinc/23/84/55/500238455.db2.gz FGKWSCOZKGFSFR-UXHICEINSA-N 2 0 372.557 3.058 20 0 FGADRP Cc1ccccc1[C@H]([C@H](C)NC(=O)N1CCC([C@H]2CC[NH2+]C2)CC1)[NH+](C)C ZINC000418183990 500244484 /nfs/dbraw/zinc/24/44/84/500244484.db2.gz PFKVPKZJADMWJL-CUWPLCDZSA-N 2 0 372.557 3.017 20 0 FGADRP CC(C)Cc1ccc([C@@H](CNC(=O)N2CCC([C@H](C)[NH3+])CC2)[NH+](C)C)cc1 ZINC000418188233 500245491 /nfs/dbraw/zinc/24/54/91/500245491.db2.gz GEPSLVCXNKINID-LAUBAEHRSA-N 2 0 374.573 3.257 20 0 FGADRP C[C@H](NC(=O)N1CCC([C@@H]2[NH2+]CC2(C)C)CC1)[C@@H](c1ccccc1)[NH+](C)C ZINC000418188913 500245788 /nfs/dbraw/zinc/24/57/88/500245788.db2.gz UWOUUEFNIZOYGQ-VDGAXYAQSA-N 2 0 372.557 3.097 20 0 FGADRP CCc1ccc([C@H](CNC(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)[NH+](CC)CC)cc1 ZINC000418221355 500251403 /nfs/dbraw/zinc/25/14/03/500251403.db2.gz VQTBGANQNOUBTI-HKBOAZHASA-N 2 0 372.557 3.025 20 0 FGADRP Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[N@@H+](C)CC[C@H]([NH3+])C(C)C ZINC000430546307 500251763 /nfs/dbraw/zinc/25/17/63/500251763.db2.gz JQCSKJGRBNHYQO-IBGZPJMESA-N 2 0 371.529 3.123 20 0 FGADRP C[NH2+]CCNC(=O)N1CCCCC[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000418318921 500261943 /nfs/dbraw/zinc/26/19/43/500261943.db2.gz QBWTYPJDSRNSQX-NRFANRHFSA-N 2 0 372.557 3.072 20 0 FGADRP CC1CC[NH+](C[C@H]2CCCN(C(=O)N[C@H](C[NH3+])C3CCCCC3)C2)CC1 ZINC000418356467 500267746 /nfs/dbraw/zinc/26/77/46/500267746.db2.gz GRPKKBQETQKKAO-UYAOXDASSA-N 2 0 364.578 3.048 20 0 FGADRP [NH3+][C@H]1CCCCCC[C@@H]1C(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000430707624 500273096 /nfs/dbraw/zinc/27/30/96/500273096.db2.gz QDGUNIZYYQOELV-SFTDATJTSA-N 2 0 373.541 3.075 20 0 FGADRP CCN(C(=O)NCC([NH3+])(CC)CC)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000418431391 500275985 /nfs/dbraw/zinc/27/59/85/500275985.db2.gz WZGCWQIYWNABDM-MJGOQNOKSA-N 2 0 360.546 3.371 20 0 FGADRP C[C@@H]([NH3+])c1ccc(CNC(=O)N2CCC[N@H+](Cc3ccccc3)CC2)cc1 ZINC000418457114 500279175 /nfs/dbraw/zinc/27/91/75/500279175.db2.gz GNAASDQQRADVKV-GOSISDBHSA-N 2 0 366.509 3.124 20 0 FGADRP CCCC[C@@H](C[NH3+])NC(=O)N(CC)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000418458368 500279598 /nfs/dbraw/zinc/27/95/98/500279598.db2.gz FMVCBQMKWIKCBV-PMACEKPBSA-N 2 0 360.546 3.058 20 0 FGADRP CCCN(CC[NH+]1CCCC1)C(=O)N[C@@H](C[NH3+])c1ccc2ccccc2c1 ZINC000418500101 500284856 /nfs/dbraw/zinc/28/48/56/500284856.db2.gz NNNKVMAHCZFBME-NRFANRHFSA-N 2 0 368.525 3.357 20 0 FGADRP FC(F)(F)c1cccc(CCC[NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)c1 ZINC000422699641 500287302 /nfs/dbraw/zinc/28/73/02/500287302.db2.gz AVOKGQHCCVIJSS-KZNAEPCWSA-N 2 0 356.432 3.385 20 0 FGADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@H](C)c1cccc(N2CCCC2=O)c1 ZINC000422708719 500287929 /nfs/dbraw/zinc/28/79/29/500287929.db2.gz YACJWRDDLWLELI-CABCVRRESA-N 2 0 352.482 3.387 20 0 FGADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+][C@H]1CCN(c2ccccc2Br)C1 ZINC000422720027 500290190 /nfs/dbraw/zinc/29/01/90/500290190.db2.gz ZJTRAIYDZVSMDE-NUEKZKHPSA-N 2 0 352.320 3.277 20 0 FGADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+][C@@H]1CCN(c2ccccc2Br)C1 ZINC000422720023 500290211 /nfs/dbraw/zinc/29/02/11/500290211.db2.gz ZJTRAIYDZVSMDE-FVQBIDKESA-N 2 0 352.320 3.277 20 0 FGADRP FC(F)(F)c1ccc(CN2CC[C@@H]([NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)cc1 ZINC000422734166 500291616 /nfs/dbraw/zinc/29/16/16/500291616.db2.gz SCWPBIMMGCMFOA-SOABOVLPSA-N 2 0 353.432 3.152 20 0 FGADRP CCCCN1CCCC[C@@H]1C[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422739826 500292166 /nfs/dbraw/zinc/29/21/66/500292166.db2.gz LXOYWDHRNHOLGP-SYYKKAFVSA-N 2 0 357.542 3.487 20 0 FGADRP COC[C@H](CCC[NH3+])[NH2+]CC1(c2cccc(Br)c2)CCC1 ZINC000422741984 500293057 /nfs/dbraw/zinc/29/30/57/500293057.db2.gz QPPARECJURDXLY-INIZCTEOSA-N 2 0 355.320 3.214 20 0 FGADRP C[C@H]([NH2+]C1(CN[C@@H](C2CC2)[C@H]2C[NH2+]CCO2)CCCC1)c1ccccc1 ZINC000422762254 500295158 /nfs/dbraw/zinc/29/51/58/500295158.db2.gz MKIQSFOGPDRELL-WMQCIHAUSA-N 2 0 357.542 3.007 20 0 FGADRP COc1cccc([C@H](CN[C@H](Cc2ccccc2)[C@@H](C)[NH3+])[NH+]2CCCC2)c1 ZINC000422763052 500295220 /nfs/dbraw/zinc/29/52/20/500295220.db2.gz OKOAMFISYNKOAO-YSZBQJHXSA-N 2 0 367.537 3.380 20 0 FGADRP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000418601951 500295602 /nfs/dbraw/zinc/29/56/02/500295602.db2.gz ABWIIJSGPRRSLJ-FPOVZHCZSA-N 2 0 372.557 3.058 20 0 FGADRP COc1ccc([C@H](NC[C@H](c2cccs2)[NH+](C)C)[C@H]2CCC[NH2+]2)cc1 ZINC000422771244 500295822 /nfs/dbraw/zinc/29/58/22/500295822.db2.gz XGVQSXIRWOSNLC-GGPKGHCWSA-N 2 0 359.539 3.442 20 0 FGADRP C[C@@H]1CCCN(C(C)(C)C[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000422771240 500296003 /nfs/dbraw/zinc/29/60/03/500296003.db2.gz XFUGYHHDQVVLAZ-ZWCUEREDSA-N 2 0 357.542 3.342 20 0 FGADRP C[C@H](CCC[NH3+])[NH2+][C@@H](c1ccc(F)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000422788824 500297594 /nfs/dbraw/zinc/29/75/94/500297594.db2.gz NMQUQHSIDYZOJW-KUHUBIRLSA-N 2 0 364.486 3.036 20 0 FGADRP COc1cc(CC[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)ccc1C ZINC000422790538 500298228 /nfs/dbraw/zinc/29/82/28/500298228.db2.gz UXYLIUSPPBHSRG-UGKGYDQZSA-N 2 0 352.478 3.392 20 0 FGADRP CCOC(=O)C1([C@@H](C)[NH2+][C@H](C)c2ccccc2OC(F)F)CC[NH2+]CC1 ZINC000422802938 500300269 /nfs/dbraw/zinc/30/02/69/500300269.db2.gz IAHAQGVIRUYOTN-ZIAGYGMSSA-N 2 0 370.440 3.260 20 0 FGADRP C[N@H+](CCCN[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)C1CCCCC1 ZINC000422804121 500300485 /nfs/dbraw/zinc/30/04/85/500300485.db2.gz KBAWXJLYWCNFMK-RBBKRZOGSA-N 2 0 357.542 3.487 20 0 FGADRP CCOC(=O)C1([C@@H](C)[NH2+]CC2(c3ccccc3)CCCC2)CC[NH2+]CC1 ZINC000422808320 500300749 /nfs/dbraw/zinc/30/07/49/500300749.db2.gz KVGFBCOEKWQXQH-GOSISDBHSA-N 2 0 358.526 3.409 20 0 FGADRP Cc1cccc(N2CC[NH+](CCCC[NH2+][C@H](C)[C@@H]3CCCC[NH2+]3)CC2)c1 ZINC000422812477 500301465 /nfs/dbraw/zinc/30/14/65/500301465.db2.gz QKYINDBXCGCPME-IRLDBZIGSA-N 3 0 358.574 3.017 20 0 FGADRP [NH3+]CCC[C@@H](NC(=O)N(CCC[NH3+])Cc1ccccc1)c1ccccc1 ZINC000418654018 500301844 /nfs/dbraw/zinc/30/18/44/500301844.db2.gz BHUSQCFVZSXVLD-HXUWFJFHSA-N 2 0 354.498 3.027 20 0 FGADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CC(C)(C)c1ccc2c(c1)OCCO2 ZINC000422818717 500301999 /nfs/dbraw/zinc/30/19/99/500301999.db2.gz GYVIXNHFHYRHJO-LPHOPBHVSA-N 2 0 354.494 3.284 20 0 FGADRP [NH3+]CCC[C@H](NC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)c1ccccc1 ZINC000418660792 500303604 /nfs/dbraw/zinc/30/36/04/500303604.db2.gz OFEGXMZMKPTDGY-SESVDKBCSA-N 2 0 370.541 3.125 20 0 FGADRP C([NH2+][C@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)C1(N2CCSCC2)CCCC1 ZINC000422853916 500306273 /nfs/dbraw/zinc/30/62/73/500306273.db2.gz ZLJAAJVEMZXKAV-QRVBRYPASA-N 2 0 351.604 3.248 20 0 FGADRP C[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1)N1CCN(c2ccccc2)CC1 ZINC000422866107 500307655 /nfs/dbraw/zinc/30/76/55/500307655.db2.gz PUQGUCNCEHROKY-XBYSBRQOSA-N 2 0 370.585 3.098 20 0 FGADRP CCOC(=O)C1([C@@H](C)[NH2+][C@H](CC)c2ccccc2OCC)CC[NH2+]CC1 ZINC000422877251 500308893 /nfs/dbraw/zinc/30/88/93/500308893.db2.gz HNMJRQJPASIWGG-SJLPKXTDSA-N 2 0 362.514 3.447 20 0 FGADRP CCOC(=O)C1([C@H](C)[NH2+][C@@H](CC)c2ccccc2OCC)CC[NH2+]CC1 ZINC000422877252 500308965 /nfs/dbraw/zinc/30/89/65/500308965.db2.gz HNMJRQJPASIWGG-WMZOPIPTSA-N 2 0 362.514 3.447 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCN[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000422873643 500309123 /nfs/dbraw/zinc/30/91/23/500309123.db2.gz AVOWLUDHUZJMDP-GXKRZCMTSA-N 2 0 357.542 3.200 20 0 FGADRP CCOC(=O)C1([C@H](C)[NH2+]Cc2cc(C)ccc2OC(F)F)CC[NH2+]CC1 ZINC000422878799 500309784 /nfs/dbraw/zinc/30/97/84/500309784.db2.gz UJCRRTGRVDEWDA-AWEZNQCLSA-N 2 0 370.440 3.007 20 0 FGADRP CC[C@@H]([NH3+])CNC(=O)N1CC(C)(C)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000418706105 500310085 /nfs/dbraw/zinc/31/00/85/500310085.db2.gz FCKCFTVVBBIQNA-UXHICEINSA-N 2 0 372.557 3.056 20 0 FGADRP C[C@H](C[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)N(C)Cc1ccccc1 ZINC000422901123 500314078 /nfs/dbraw/zinc/31/40/78/500314078.db2.gz BQRFPIKUVIHDBO-JZWVFAODSA-N 2 0 365.521 3.352 20 0 FGADRP C[C@@H]1C[C@H](N(C)C(=O)NC[C@@H]2CCC[C@@H]([NH3+])C2)CC[N@@H+]1Cc1ccccc1 ZINC000418733431 500314490 /nfs/dbraw/zinc/31/44/90/500314490.db2.gz KXVFFKUYYSFCKG-CWJKEVGVSA-N 2 0 372.557 3.198 20 0 FGADRP CCOC(=O)C1([C@H](C)[NH2+]C[C@@H]2CCCO[C@@H]2c2ccccc2)CC[NH2+]CC1 ZINC000422908086 500314823 /nfs/dbraw/zinc/31/48/23/500314823.db2.gz XZJYDEHCBNFBRX-YSIASYRMSA-N 2 0 374.525 3.065 20 0 FGADRP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CC1CC[NH+](Cc2ccccc2)CC1 ZINC000422908704 500314897 /nfs/dbraw/zinc/31/48/97/500314897.db2.gz ZAOIXOMJJREDEG-XXBNENTESA-N 3 0 351.538 3.447 20 0 FGADRP CC[NH+]1CCN(Cc2ccc(N[C@@H]3C[C@@H]([NH3+])c4ccccc43)cc2)CC1 ZINC000422916281 500315891 /nfs/dbraw/zinc/31/58/91/500315891.db2.gz DFJRVIYQJGYABN-FGZHOGPDSA-N 2 0 350.510 3.381 20 0 FGADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]CCOc1ncc(C(F)(F)F)cc1Cl ZINC000422917598 500316294 /nfs/dbraw/zinc/31/62/94/500316294.db2.gz GNDBLIOLZXVXIG-GWCFXTLKSA-N 2 0 351.800 3.240 20 0 FGADRP CO[C@H](C[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ccc(F)cc1 ZINC000422923782 500317990 /nfs/dbraw/zinc/31/79/90/500317990.db2.gz XBJXFEAAFMRPQH-HMXCVIKNSA-N 2 0 356.441 3.359 20 0 FGADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]CC1(c2cccc(Br)c2)CCOCC1 ZINC000422935145 500319186 /nfs/dbraw/zinc/31/91/86/500319186.db2.gz DAFPPAFJENLFOJ-ZIAGYGMSSA-N 2 0 355.320 3.213 20 0 FGADRP C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)NCCC[C@@H]2CCC[NH2+]2)CC1 ZINC000418763178 500319998 /nfs/dbraw/zinc/31/99/98/500319998.db2.gz HUOTWGOXBBZXCW-ICSRJNTNSA-N 2 0 364.578 3.205 20 0 FGADRP C[N@@H+]1CCN(C(=O)c2ccc3c(ccn3CCC[NH3+])c2)C2(CCCCC2)C1 ZINC000431013929 500323303 /nfs/dbraw/zinc/32/33/03/500323303.db2.gz LIKYOLIXRMRFJS-UHFFFAOYSA-N 2 0 368.525 3.081 20 0 FGADRP Cc1cc(Br)ccc1C[NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000422955232 500323575 /nfs/dbraw/zinc/32/35/75/500323575.db2.gz IZTFRMZQCSNBAJ-IXDOHACOSA-N 2 0 353.304 3.004 20 0 FGADRP Brc1cc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)cc2c1OCO2 ZINC000422967740 500324903 /nfs/dbraw/zinc/32/49/03/500324903.db2.gz CJKPGKCMAJOILG-VHDGCEQUSA-N 2 0 367.287 3.188 20 0 FGADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(OCCOc2ccccc2)nc1 ZINC000422971503 500325564 /nfs/dbraw/zinc/32/55/64/500325564.db2.gz IUWUFCYQHNGGDE-AZUAARDMSA-N 2 0 355.482 3.147 20 0 FGADRP COc1ccc([C@H](CN[C@@H]2C[C@@H]([NH3+])c3ccccc32)[NH+](C)C)cc1OC ZINC000422985290 500327455 /nfs/dbraw/zinc/32/74/55/500327455.db2.gz CYTGPEXTKGIFNV-QRVBRYPASA-N 2 0 355.482 3.041 20 0 FGADRP CCOC(=O)C1([C@H](C)[NH2+][C@@H](C[C@@H]2CCOC2)c2ccccc2)CC[NH2+]CC1 ZINC000423002393 500329779 /nfs/dbraw/zinc/32/97/79/500329779.db2.gz JGNSRMXHBMRMDC-BJLQDIEVSA-N 2 0 374.525 3.065 20 0 FGADRP FC(F)(F)c1cccnc1OCC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000423001161 500329790 /nfs/dbraw/zinc/32/97/90/500329790.db2.gz WTSXSUDASPSNHD-FVQBIDKESA-N 2 0 357.420 3.380 20 0 FGADRP FC(F)(F)COCc1cccc(C[NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)c1 ZINC000423006035 500330345 /nfs/dbraw/zinc/33/03/45/500330345.db2.gz UDKXMUCIJMKKMI-RCCFBDPRSA-N 2 0 372.431 3.012 20 0 FGADRP CCOC(=O)C1([C@@H](C)[NH2+][C@@H](CC)CSc2ccccc2)CC[NH2+]CC1 ZINC000423007854 500330566 /nfs/dbraw/zinc/33/05/66/500330566.db2.gz YTRLOVPEPOMSAO-SJORKVTESA-N 2 0 364.555 3.468 20 0 FGADRP c1cc(OCC[NH+]2CCCC2)ccc1CC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000423012850 500330871 /nfs/dbraw/zinc/33/08/71/500330871.db2.gz DTCYOJWDZHTOJL-YTFSRNRJSA-N 3 0 371.569 3.214 20 0 FGADRP CCOC(=O)C1([C@H](C)[NH2+][C@H](c2ccc(F)c(C)c2)C2CC2)CC[NH2+]CC1 ZINC000423012417 500331204 /nfs/dbraw/zinc/33/12/04/500331204.db2.gz KUTHTQORIGKNLN-KXBFYZLASA-N 2 0 362.489 3.496 20 0 FGADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423050218 500335540 /nfs/dbraw/zinc/33/55/40/500335540.db2.gz YKRXFWOMJDSXPX-ZWOKBUDYSA-N 3 0 352.526 3.410 20 0 FGADRP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCc1ccc(OCC(F)(F)F)nc1 ZINC000423049362 500335775 /nfs/dbraw/zinc/33/57/75/500335775.db2.gz JSUUROQOHAPTGC-PBHICJAKSA-N 2 0 367.415 3.113 20 0 FGADRP C[C@H](N[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000423051037 500335837 /nfs/dbraw/zinc/33/58/37/500335837.db2.gz ZOMYQKVSCIBFDZ-BJJLKGPWSA-N 2 0 369.553 3.485 20 0 FGADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000423083422 500339730 /nfs/dbraw/zinc/33/97/30/500339730.db2.gz GAGIVXUMKTUGFK-VKDMSYRKSA-N 2 0 369.475 3.340 20 0 FGADRP OC[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)Cc1ccc(F)c(F)c1 ZINC000423079597 500340095 /nfs/dbraw/zinc/34/00/95/500340095.db2.gz QYWFRQIFRPHXOD-XAMWDVODSA-N 2 0 352.469 3.016 20 0 FGADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+][C@H]1CCN(c2cccc(Br)c2)C1 ZINC000423090727 500340675 /nfs/dbraw/zinc/34/06/75/500340675.db2.gz VWOZRHCHZYVSCN-UAGQMJEPSA-N 2 0 352.320 3.277 20 0 FGADRP CCN1CCO[C@@H](C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)[C@@H]1c1ccccc1 ZINC000423102807 500342803 /nfs/dbraw/zinc/34/28/03/500342803.db2.gz KOIODMPGOWIUJV-LILXYRQWSA-N 2 0 371.569 3.349 20 0 FGADRP C[C@@H](CCC[NH3+])[NH2+][C@@H](C)CCc1ccc(I)cc1 ZINC000423106337 500342979 /nfs/dbraw/zinc/34/29/79/500342979.db2.gz ZQPJJGWQRCFINC-STQMWFEESA-N 2 0 360.283 3.329 20 0 FGADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]CCc1c[nH]c2cccc(Br)c12 ZINC000423119484 500344737 /nfs/dbraw/zinc/34/47/37/500344737.db2.gz CNWZLEPBYXPGJJ-SWLSCSKDSA-N 2 0 350.304 3.451 20 0 FGADRP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC000427038767 500347045 /nfs/dbraw/zinc/34/70/45/500347045.db2.gz QOQLQLHLTQUWPV-SFHVURJKSA-N 2 0 372.557 3.235 20 0 FGADRP Cc1c(Br)cccc1C[C@H](CO)C[NH2+][C@@H]1CCCCC[C@H]1[NH3+] ZINC000423160677 500350238 /nfs/dbraw/zinc/35/02/38/500350238.db2.gz MOVLCBMVFYOPAZ-BMGDILEWSA-N 2 0 369.347 3.158 20 0 FGADRP Brc1ccc([C@H]([NH2+]CCN2CC[NH2+]CC2)c2ccccc2)cc1 ZINC000423199039 500354033 /nfs/dbraw/zinc/35/40/33/500354033.db2.gz AHYWLTDHMSIGOC-LJQANCHMSA-N 2 0 374.326 3.033 20 0 FGADRP Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)[NH2+]CCN1CC[NH2+]CC1 ZINC000423199403 500354603 /nfs/dbraw/zinc/35/46/03/500354603.db2.gz BHVBLRKJDRPYKE-CYBMUJFWSA-N 2 0 364.946 3.328 20 0 FGADRP C[C@@H]([NH2+]CCN1CC[NH2+]CC1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000423209789 500355186 /nfs/dbraw/zinc/35/51/86/500355186.db2.gz VQQSTHNBWOPXHL-LLVKDONJSA-N 2 0 369.353 3.280 20 0 FGADRP Clc1cc(Br)ccc1[C@@H]([NH2+]CCN1CC[NH2+]CC1)C1CC1 ZINC000423209773 500355648 /nfs/dbraw/zinc/35/56/48/500355648.db2.gz VOOBZXORYPKPRX-INIZCTEOSA-N 2 0 372.738 3.048 20 0 FGADRP CC(C)[C@H]([NH3+])C[NH2+][C@@H](c1cccc(Br)c1)C1CCOCC1 ZINC000423280692 500361266 /nfs/dbraw/zinc/36/12/66/500361266.db2.gz UIJGPVOUOZOUNA-IAGOWNOFSA-N 2 0 355.320 3.490 20 0 FGADRP C[C@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[NH2+]CC(C)(C)[NH3+] ZINC000423282642 500361305 /nfs/dbraw/zinc/36/13/05/500361305.db2.gz DBNSAULDMSWXRQ-SECBINFHSA-N 2 0 351.800 3.403 20 0 FGADRP CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+]Cc2ccc([C@H](C)[NH3+])cc2)cc1 ZINC000423294764 500362492 /nfs/dbraw/zinc/36/24/92/500362492.db2.gz VFYZZUYKVIWJBB-LSDHHAIUSA-N 2 0 361.511 3.319 20 0 FGADRP C[C@H](C[NH3+])C[NH2+][C@H](C)CC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000423302347 500362616 /nfs/dbraw/zinc/36/26/16/500362616.db2.gz HEGJZTCRCVIGDS-NXEZZACHSA-N 2 0 351.800 3.260 20 0 FGADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2N[C@@H]2CCc3c2cccc3OC)cc1 ZINC000423319168 500363873 /nfs/dbraw/zinc/36/38/73/500363873.db2.gz CJYYBOFIBVSILD-WMQCIHAUSA-N 2 0 352.478 3.426 20 0 FGADRP CC[C@H](CNC(=O)c1ccc([C@@H](C)[NH3+])cc1)[N@@H+]1CCc2ccccc2C1 ZINC000423336797 500365585 /nfs/dbraw/zinc/36/55/85/500365585.db2.gz VDIORTDBBYNOAF-IIBYNOLFSA-N 2 0 351.494 3.273 20 0 FGADRP C[C@H]([NH2+]CC1=CC[NH2+]CC1)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000423346666 500366094 /nfs/dbraw/zinc/36/60/94/500366094.db2.gz PIQVYKSRYUBGLA-KRWDZBQOSA-N 2 0 362.477 3.484 20 0 FGADRP C[C@@H]1[NH2+]CCC[C@H]1C(=O)NCc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000423353798 500366639 /nfs/dbraw/zinc/36/66/39/500366639.db2.gz MKGWWSDQQNDJGR-LAUBAEHRSA-N 2 0 357.542 3.455 20 0 FGADRP FC(F)(F)[C@@H](C[NH2+][C@@H](c1cccs1)C1CCCC1)N1CC[NH2+]CC1 ZINC000423372806 500368430 /nfs/dbraw/zinc/36/84/30/500368430.db2.gz BJOZUPSUWIXDKU-HZPDHXFCSA-N 2 0 361.477 3.405 20 0 FGADRP Fc1ccc([C@@H]2CC[NH2+]C[C@@H]2N[C@H]2CC[NH2+][C@@H](c3ccccc3)C2)cc1F ZINC000423381834 500368564 /nfs/dbraw/zinc/36/85/64/500368564.db2.gz ZTCLHHMTUYKGPN-HXHBTQRASA-N 2 0 371.475 3.493 20 0 FGADRP C[C@@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]Cc1ccc2c(c1)C[NH2+]C2 ZINC000423384325 500369024 /nfs/dbraw/zinc/36/90/24/500369024.db2.gz KVRYWHSJHSPYPY-HNNXBMFYSA-N 2 0 371.912 3.470 20 0 FGADRP FC(F)(F)[C@@H](C[NH2+]C1c2ccccc2-c2ccccc21)N1CC[NH2+]CC1 ZINC000423393874 500369818 /nfs/dbraw/zinc/36/98/18/500369818.db2.gz RMVSUBFEKSDSRN-GOSISDBHSA-N 2 0 361.411 3.182 20 0 FGADRP C[C@H]([NH2+][C@@H]1CC[NH2+]C[C@@H]1C)c1ccc(F)c(I)c1 ZINC000423395823 500370081 /nfs/dbraw/zinc/37/00/81/500370081.db2.gz NPTJPSWAOAXBOL-PKFCDNJMSA-N 2 0 362.230 3.079 20 0 FGADRP COCC1(C[NH2+][C@@H]2CCCc3ncc(C(F)(F)F)cc32)CC[NH2+]CC1 ZINC000423411980 500372232 /nfs/dbraw/zinc/37/22/32/500372232.db2.gz VWWIXWUOROGDDJ-MRXNPFEDSA-N 2 0 357.420 3.084 20 0 FGADRP C[C@@H]([NH2+][C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)c1ccc(-c2ccccc2)o1 ZINC000423446992 500375304 /nfs/dbraw/zinc/37/53/04/500375304.db2.gz CYFIGELGRSUHAS-LDJQZATESA-N 2 0 367.493 3.244 20 0 FGADRP c1ccc(C[N@@H+]2CC[C@H]([NH2+][C@@H]3C[C@H]3C3CC[NH2+]CC3)[C@@H]3CCC[C@@H]32)cc1 ZINC000423445080 500375484 /nfs/dbraw/zinc/37/54/84/500375484.db2.gz XHGBFZJMZRHDMF-FADBTOOJSA-N 3 0 353.554 3.407 20 0 FGADRP COc1cc(C)c(C[C@@H](C)[NH2+]C[C@@H]2NCCc3ccccc32)cc1OC ZINC000423444573 500375668 /nfs/dbraw/zinc/37/56/68/500375668.db2.gz XXONOCZOTOIFJG-UZLBHIALSA-N 2 0 354.494 3.420 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)C[C@H]1CC[NH2+]C1)c1ccc(C(F)(F)F)cc1 ZINC000427269740 500375719 /nfs/dbraw/zinc/37/57/19/500375719.db2.gz NCODNCLRPKYQSD-RHSMWYFYSA-N 2 0 371.447 3.204 20 0 FGADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000423461914 500376837 /nfs/dbraw/zinc/37/68/37/500376837.db2.gz OPWODRWVLSVYKX-XMBDKHIGSA-N 3 0 353.554 3.393 20 0 FGADRP CCN(C(=O)C[C@@H]1CCC[NH2+]CC1)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000427288520 500378010 /nfs/dbraw/zinc/37/80/10/500378010.db2.gz PVKSPORJSFDMQV-SBHAEUEKSA-N 2 0 357.542 3.450 20 0 FGADRP C[C@H](Cc1ccccc1)[NH+]1CCC(N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)CC1 ZINC000423498867 500379338 /nfs/dbraw/zinc/37/93/38/500379338.db2.gz BLTIYODSNOCNJI-VEXUSMLFSA-N 2 0 363.549 3.427 20 0 FGADRP C[C@H]([NH2+][C@H](CCC[NH3+])c1ccccc1)c1cccc(NS(C)(=O)=O)c1 ZINC000423511470 500380200 /nfs/dbraw/zinc/38/02/00/500380200.db2.gz TUOSZSMKJOHPAQ-HNAYVOBHSA-N 2 0 361.511 3.189 20 0 FGADRP CCc1ccccc1[C@H]([NH3+])CN[C@H](c1ccc(OC)cc1)[C@H]1CCC[NH2+]1 ZINC000423513939 500381164 /nfs/dbraw/zinc/38/11/64/500381164.db2.gz VVVWNKZQKXTJBD-YPAWHYETSA-N 2 0 353.510 3.340 20 0 FGADRP NC1(C[NH2+][C@H]2CCCc3ccc(O)cc32)CC[NH+](Cc2ccccc2)CC1 ZINC000423548184 500384287 /nfs/dbraw/zinc/38/42/87/500384287.db2.gz DTDLYYVSHSSQSK-QFIPXVFZSA-N 2 0 365.521 3.353 20 0 FGADRP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH2+][C@@H]4CC[C@@H]5C[NH2+]C[C@H]5C4)[C@@H]3C2)cc1 ZINC000423551897 500384413 /nfs/dbraw/zinc/38/44/13/500384413.db2.gz URQNWFPVWTZSLK-NCKLTAKHSA-N 3 0 353.554 3.265 20 0 FGADRP C[C@H](Cc1ccc(F)cc1Br)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000423564015 500384667 /nfs/dbraw/zinc/38/46/67/500384667.db2.gz XRZCLKYZODUJFE-AOLWHUPESA-N 2 0 355.295 3.497 20 0 FGADRP COc1ccccc1[C@H](C)[NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1 ZINC000423578259 500386179 /nfs/dbraw/zinc/38/61/79/500386179.db2.gz UIYMMPDXVQBSLF-SFHVURJKSA-N 2 0 353.510 3.339 20 0 FGADRP C[C@H](NC(=O)CCC[NH+]1CCC([NH3+])CC1)c1ccc(Cl)cc1Cl ZINC000423798589 500402251 /nfs/dbraw/zinc/40/22/51/500402251.db2.gz QFBYOUFORWPSPV-LBPRGKRZSA-N 2 0 358.313 3.374 20 0 FGADRP O=C(N1CCC(CCC[NH+]2CCCC2)CC1)[C@@]1(c2ccccc2)CC[NH2+]C1 ZINC000423801238 500403383 /nfs/dbraw/zinc/40/33/83/500403383.db2.gz SMFSUEXAURAGRW-QHCPKHFHSA-N 2 0 369.553 3.032 20 0 FGADRP C[C@H]([NH3+])c1ccc(C(=O)N[C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000423868336 500414037 /nfs/dbraw/zinc/41/40/37/500414037.db2.gz NDELAXKEACJMLV-FIKGOQFSSA-N 2 0 351.494 3.347 20 0 FGADRP C[NH+](C)Cc1cc(CNC(=O)C[C@H](c2ccccc2)[NH+](C)C)ccc1F ZINC000431765113 500421554 /nfs/dbraw/zinc/42/15/54/500421554.db2.gz AQKPVXFHYNEXDI-HXUWFJFHSA-N 2 0 357.473 3.197 20 0 FGADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000431768160 500421908 /nfs/dbraw/zinc/42/19/08/500421908.db2.gz CUPHMNITULQJJJ-HKUYNNGSSA-N 2 0 366.594 3.449 20 0 FGADRP C[C@H](CNC(=O)C[C@@H](c1ccccc1)[NH+](C)C)[N@@H+]1CCc2ccccc2C1 ZINC000431778003 500423537 /nfs/dbraw/zinc/42/35/37/500423537.db2.gz FXKIAJAOVLPSCG-GCJKJVERSA-N 2 0 365.521 3.242 20 0 FGADRP C[N@@H+]1CCCC[C@H]1CCC(=O)NC[C@H]1CCC[NH+](Cc2cccs2)C1 ZINC000431779981 500423710 /nfs/dbraw/zinc/42/37/10/500423710.db2.gz WBRLTKGGCGIANK-MSOLQXFVSA-N 2 0 363.571 3.341 20 0 FGADRP C[C@@H]1CN(C(=O)c2cccc(C[N@H+](C)Cc3ccccc3)c2)C[C@@]1(C)C[NH3+] ZINC000423976724 500428561 /nfs/dbraw/zinc/42/85/61/500428561.db2.gz RXMJQQPYDKIUTJ-WZONZLPQSA-N 2 0 365.521 3.376 20 0 FGADRP CC[NH+](CC)C[C@H]1CCCC[C@@H]1NC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000431870413 500436942 /nfs/dbraw/zinc/43/69/42/500436942.db2.gz MXNASTOWFXSLSD-MJGOQNOKSA-N 2 0 352.567 3.059 20 0 FGADRP Cc1cc(Cl)cc(C(=O)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)c1 ZINC000424023493 500438086 /nfs/dbraw/zinc/43/80/86/500438086.db2.gz VZZLAAKIHVZWRL-UHFFFAOYSA-N 2 0 371.912 3.372 20 0 FGADRP [NH3+]C1(CNC(=O)c2coc3ccccc23)CC[NH+](Cc2ccccc2)CC1 ZINC000424023498 500438106 /nfs/dbraw/zinc/43/81/06/500438106.db2.gz WAPAYSQRIRCFRZ-UHFFFAOYSA-N 2 0 363.461 3.156 20 0 FGADRP CC(C)(CC(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1)C(F)(F)F ZINC000424022869 500438113 /nfs/dbraw/zinc/43/81/13/500438113.db2.gz VGJFJPOMFLGRIH-UHFFFAOYSA-N 2 0 371.447 3.075 20 0 FGADRP FC(F)(F)c1cccc(CN2CC[NH+](CC[C@H]3CCC[NH2+]C3)CC2)c1 ZINC000420309503 500438152 /nfs/dbraw/zinc/43/81/52/500438152.db2.gz UBZZUFAEEIOVDX-MRXNPFEDSA-N 2 0 355.448 3.213 20 0 FGADRP Ic1ccc([C@@H]2CCC[N@@H+]2CC[C@@H]2CC[NH2+]C2)cc1 ZINC000420312403 500439074 /nfs/dbraw/zinc/43/90/74/500439074.db2.gz WXWXNHIHEHGRAH-BBRMVZONSA-N 2 0 370.278 3.428 20 0 FGADRP Cn1ccnc1C[N@H+](C[C@@H]1CCCC(F)(F)C1)[C@H]1CC12CC[NH2+]CC2 ZINC000420310098 500439161 /nfs/dbraw/zinc/43/91/61/500439161.db2.gz MBRHNOFAEMYDCX-CVEARBPZSA-N 2 0 352.473 3.190 20 0 FGADRP Cc1ccc(C(=O)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)cc1C ZINC000424036290 500440389 /nfs/dbraw/zinc/44/03/89/500440389.db2.gz GWZWJDPVNIWNBQ-UHFFFAOYSA-N 2 0 351.494 3.027 20 0 FGADRP CC[NH+]1CCN(Cc2ccc(NC(=O)CC[C@H]3CCCC[N@@H+]3C)cc2)CC1 ZINC000431903431 500441583 /nfs/dbraw/zinc/44/15/83/500441583.db2.gz UBAKNSZTEVHXOJ-OAQYLSRUSA-N 2 0 372.557 3.027 20 0 FGADRP O=C1[C@@H]([NH+]2CCC([C@H]3CCC[NH2+]3)CC2)CCN1c1ccc(F)c(Cl)c1 ZINC000420330338 500442450 /nfs/dbraw/zinc/44/24/50/500442450.db2.gz BASNNFHLQJQHCW-MSOLQXFVSA-N 2 0 365.880 3.048 20 0 FGADRP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](CCOc2c(Cl)cccc2Cl)CC1 ZINC000420332068 500443153 /nfs/dbraw/zinc/44/31/53/500443153.db2.gz RFBWIMPQLXPSDX-CVEARBPZSA-N 2 0 359.297 3.200 20 0 FGADRP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](CCCOc2cccc3ccccc32)CC1 ZINC000420332066 500443496 /nfs/dbraw/zinc/44/34/96/500443496.db2.gz NCNFNHMJOXADJV-IRLDBZIGSA-N 2 0 354.494 3.437 20 0 FGADRP CCN(C(=O)C[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)[C@H](C)c1ccc(F)cc1 ZINC000420333205 500443552 /nfs/dbraw/zinc/44/35/52/500443552.db2.gz SMLMEKPFDHFJTB-QRQLOZEOSA-N 2 0 361.505 3.057 20 0 FGADRP C[C@@H](C(=O)Nc1cccc2ncccc21)[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000420343691 500445162 /nfs/dbraw/zinc/44/51/62/500445162.db2.gz ZUSAKHRSKJHLTK-YJBOKZPZSA-N 2 0 352.482 3.026 20 0 FGADRP COc1ccc([C@@H](C[NH3+])C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)cc1 ZINC000420370685 500449590 /nfs/dbraw/zinc/44/95/90/500449590.db2.gz YXHFZTKWTRJFIE-NRFANRHFSA-N 3 0 359.558 3.326 20 0 FGADRP COc1ccc([C@H](C[NH3+])C[NH2+][C@@H](C[C@@H]2CCOC2)c2ccccc2)cc1 ZINC000420421875 500458061 /nfs/dbraw/zinc/45/80/61/500458061.db2.gz YWZPXUZYSFAXHG-WEYGHZABSA-N 2 0 354.494 3.495 20 0 FGADRP C[C@@H](C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1)[C@@H]([NH3+])c1ccccc1 ZINC000424214185 500469970 /nfs/dbraw/zinc/46/99/70/500469970.db2.gz BTVDUSLYEZSZPC-XYEHWOGUSA-N 2 0 363.505 3.055 20 0 FGADRP Cc1cc(C[NH3+])cc(NC(=O)[C@@H]2CCC[N@H+](Cc3cccc(F)c3)C2)c1 ZINC000424244320 500474325 /nfs/dbraw/zinc/47/43/25/500474325.db2.gz QYNNTCVNGKELIH-GOSISDBHSA-N 2 0 355.457 3.444 20 0 FGADRP CC[C@@H](NC(=O)C[N@@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2)c1ccc(Cl)cc1 ZINC000424287625 500481870 /nfs/dbraw/zinc/48/18/70/500481870.db2.gz JERLXMPLQXHAQR-MAUKXSAKSA-N 2 0 363.933 3.371 20 0 FGADRP C[C@H](c1cc2ccccc2o1)N(C)C(=O)C[N@@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424302400 500483669 /nfs/dbraw/zinc/48/36/69/500483669.db2.gz ZJXNTOCTCXAUKB-DLBZAZTESA-N 2 0 369.509 3.416 20 0 FGADRP CCN(C[C@@H]1CC[N@H+](C[C@H](C[NH3+])c2ccc(F)cc2)C1)CC(F)(F)F ZINC000424305498 500483675 /nfs/dbraw/zinc/48/36/75/500483675.db2.gz SLRJLQNFANSHIT-HOCLYGCPSA-N 2 0 361.427 3.074 20 0 FGADRP CCCNC(=O)CC[NH2+][C@@H]1CCCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000428231481 500484573 /nfs/dbraw/zinc/48/45/73/500484573.db2.gz WFYSKYQVDHSCOI-PCCBWWKXSA-N 2 0 357.542 3.183 20 0 FGADRP CN1CC[C@H](C[NH2+][C@@H]2CCCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CC1=O ZINC000424316050 500486007 /nfs/dbraw/zinc/48/60/07/500486007.db2.gz CVTIZESOBATEDG-FNAHDJPLSA-N 2 0 369.553 3.135 20 0 FGADRP O=C(CCCc1ccccc1)NCC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000424379885 500493934 /nfs/dbraw/zinc/49/39/34/500493934.db2.gz PKRZVMHMNSYMSU-PCCBWWKXSA-N 2 0 357.542 3.026 20 0 FGADRP O=C(CCCc1ccccc1)NCC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000424379887 500494420 /nfs/dbraw/zinc/49/44/20/500494420.db2.gz PKRZVMHMNSYMSU-PWRODBHTSA-N 2 0 357.542 3.026 20 0 FGADRP C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N(C)C[C@H]2CCC[NH+]2C)C1 ZINC000420792142 500502410 /nfs/dbraw/zinc/50/24/10/500502410.db2.gz HLNIWOJFDXQKJW-GHTZIAJQSA-N 2 0 372.557 3.154 20 0 FGADRP Cc1cc(C[NH3+])cc(NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000424430911 500503836 /nfs/dbraw/zinc/50/38/36/500503836.db2.gz DVPAFHYBGNTXHB-DYESRHJHSA-N 2 0 366.509 3.486 20 0 FGADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)NC1CCC([NH+](C)C)CC1 ZINC000420800756 500504392 /nfs/dbraw/zinc/50/43/92/500504392.db2.gz JRYAQFGDCQWWMM-VWEINGBSSA-N 2 0 372.557 3.069 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC000573446639 506196371 /nfs/dbraw/zinc/19/63/71/506196371.db2.gz LWPBBWBCWFCKOZ-STZQEDGTSA-N 2 0 369.553 3.420 20 0 FGADRP CCC[N@H+](CC)Cc1ccc(C(=O)N2CCC[C@H]3C[NH+](C)CC[C@@H]32)cc1 ZINC000428706502 500547176 /nfs/dbraw/zinc/54/71/76/500547176.db2.gz ARGPFUIRRURBIU-SFTDATJTSA-N 2 0 357.542 3.475 20 0 FGADRP CC[NH+]1CCC(N2CCC[N@H+](CCOc3ccc(Cl)cc3)CC2)CC1 ZINC000421003235 500552111 /nfs/dbraw/zinc/55/21/11/500552111.db2.gz GUVIPNMCPUPCCN-UHFFFAOYSA-N 2 0 365.949 3.211 20 0 FGADRP COC1(C[NH2+]Cc2ccc(C[NH+]3C[C@@H](C)C[C@H](C)C3)cc2)CCOCC1 ZINC000428848838 500565783 /nfs/dbraw/zinc/56/57/83/500565783.db2.gz KAQDDFNZGJQABJ-OALUTQOASA-N 2 0 360.542 3.450 20 0 FGADRP CC[NH+](CC)CCOC1CC[NH+]([C@H](C)c2cc(C(=O)OC)c(C)o2)CC1 ZINC000432824460 500572676 /nfs/dbraw/zinc/57/26/76/500572676.db2.gz OYHUMMLITKPJFG-OAHLLOKOSA-N 2 0 366.502 3.258 20 0 FGADRP OC[C@H](Cc1ccccc1)[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000437076628 500599342 /nfs/dbraw/zinc/59/93/42/500599342.db2.gz VPYIKTINHZBOTH-UEQSERJNSA-N 2 0 364.533 3.480 20 0 FGADRP C[NH+](C)[C@@H](CNC(=O)C[N@@H+]1CCC[C@@H](c2ccccc2)C1)c1ccccc1 ZINC000433046360 500612991 /nfs/dbraw/zinc/61/29/91/500612991.db2.gz PCAVMLFTONBNTO-YADHBBJMSA-N 2 0 365.521 3.285 20 0 FGADRP C[C@@H]1C[NH+](Cc2ccccc2C[NH2+][C@H]2[C@@H]3CCO[C@@H]3C2(C)C)C[C@@H](C)O1 ZINC000447535292 500619389 /nfs/dbraw/zinc/61/93/89/500619389.db2.gz DZTBZXOJANZEFV-QANQIFJLSA-N 2 0 358.526 3.199 20 0 FGADRP Cc1nc(-c2ccccc2)c(NC(=O)CCC[NH+]2CCC([NH3+])CC2)s1 ZINC000433128892 500632068 /nfs/dbraw/zinc/63/20/68/500632068.db2.gz BXSPRPGCIQFREG-UHFFFAOYSA-N 2 0 358.511 3.260 20 0 FGADRP C[C@@H]1CSc2ccc(Br)cc2[C@@H]1[NH2+]CCOCC[NH+](C)C ZINC000447597712 500632095 /nfs/dbraw/zinc/63/20/95/500632095.db2.gz GKJFYCGSCYXQIU-MLGOLLRUSA-N 2 0 373.360 3.400 20 0 FGADRP [NH3+]C1CC[NH+](CCCC(=O)N(CCc2ccccc2)c2ccccc2)CC1 ZINC000433156962 500636002 /nfs/dbraw/zinc/63/60/02/500636002.db2.gz DMAOUJCCNBFHII-UHFFFAOYSA-N 2 0 365.521 3.466 20 0 FGADRP C[C@@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)c1ccccc1OC(F)(F)F ZINC000442880880 500638657 /nfs/dbraw/zinc/63/86/57/500638657.db2.gz ZMGCOPZJDBESOC-CQSZACIVSA-N 2 0 359.436 3.262 20 0 FGADRP CC[N@@H+]1CCC[C@H](CNC(=O)[C@@]23CCC[C@@H]2C[NH+](Cc2ccccc2)C3)C1 ZINC000442939082 500650353 /nfs/dbraw/zinc/65/03/53/500650353.db2.gz BZIBUDYBSUOLCP-MQSCRBSSSA-N 2 0 369.553 3.137 20 0 FGADRP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@@H+](C)[C@H](C)C2(C)CC2)CC1 ZINC000437515965 500653757 /nfs/dbraw/zinc/65/37/57/500653757.db2.gz GUPPMJCMYSXYRC-LJQANCHMSA-N 2 0 357.542 3.150 20 0 FGADRP C[C@@H](C(=O)NC(c1ccccc1)c1ccccc1)[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443054791 500669688 /nfs/dbraw/zinc/66/96/88/500669688.db2.gz AEOWYGDTVSUUBV-OALUTQOASA-N 2 0 365.521 3.342 20 0 FGADRP CC(C)[C@H](C[NH2+]CCCc1c(F)cccc1Cl)N1CC[NH+](C)CC1 ZINC000447824019 500670318 /nfs/dbraw/zinc/67/03/18/500670318.db2.gz YVCAYTFPPLJGHX-IBGZPJMESA-N 2 0 355.929 3.273 20 0 FGADRP Cc1ccc([C@H](NC(=O)C[N@@H+]2CCC[C@@H](CC[NH3+])C2)c2cccs2)cc1 ZINC000443055351 500670674 /nfs/dbraw/zinc/67/06/74/500670674.db2.gz BGLVOXFOMPGWBC-UWJYYQICSA-N 2 0 371.550 3.323 20 0 FGADRP COc1ccc([C@@H]2CCCCCN2C(=O)C[N@@H+]2CCC[C@H](CC[NH3+])C2)cc1 ZINC000443058652 500670888 /nfs/dbraw/zinc/67/08/88/500670888.db2.gz KWOQZIGIDVLUKD-NQIIRXRSSA-N 2 0 373.541 3.200 20 0 FGADRP COc1ccc(C[N@@H+]2CCC[C@@H](CC[NH3+])C2)c(Br)c1OC ZINC000443060196 500671170 /nfs/dbraw/zinc/67/11/70/500671170.db2.gz OMNZZOSOXHBZTC-LBPRGKRZSA-N 2 0 357.292 3.027 20 0 FGADRP C[NH+](C)CCN(Cc1ccccc1F)C(=O)C[C@H](c1ccccc1)[NH+](C)C ZINC000433320737 500671735 /nfs/dbraw/zinc/67/17/35/500671735.db2.gz VOCDKFQZPWWXIN-OAQYLSRUSA-N 2 0 371.500 3.409 20 0 FGADRP C[C@@H]1C[NH+](CCOc2ccc(CC[NH2+]CC[C@@H]3CCOC3)cc2)C[C@H]1C ZINC000437776310 500693841 /nfs/dbraw/zinc/69/38/41/500693841.db2.gz PDEXMSJZURTRKU-SFHLNBCPSA-N 2 0 360.542 3.212 20 0 FGADRP CC(C)N1CCC[C@@H]([N@H+](Cc2ccsc2)[C@@H]2CC23CC[NH2+]CC3)C1=O ZINC000447947777 500694287 /nfs/dbraw/zinc/69/42/87/500694287.db2.gz IBZMJFXGTJLDCQ-QZTJIDSGSA-N 2 0 361.555 3.092 20 0 FGADRP Cc1ccc([C@H](CNC(=O)N[C@H](C)C(C)(C)C[NH+](C)C)[NH+]2CCCC2)cc1 ZINC000443242238 500700720 /nfs/dbraw/zinc/70/07/20/500700720.db2.gz UUFCWWBYYKRYDA-QUCCMNQESA-N 2 0 374.573 3.407 20 0 FGADRP FC(F)(F)[C@@H]1CCC[C@H]([NH2+]CCCN2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000438209622 500754711 /nfs/dbraw/zinc/75/47/11/500754711.db2.gz DAGHXSJHSNYSAG-SJORKVTESA-N 2 0 370.463 3.304 20 0 FGADRP O=C(NC[C@@H]1CCCC[N@@H+]1C1CC1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000433939161 500768258 /nfs/dbraw/zinc/76/82/58/500768258.db2.gz GNBUVXUWJYWOHM-FQEVSTJZSA-N 2 0 362.562 3.100 20 0 FGADRP CN(CCC[N@H+](C)Cc1cnc(-c2cccs2)s1)CC[NH+](C)C ZINC000570729348 506215548 /nfs/dbraw/zinc/21/55/48/506215548.db2.gz IBZNJMWDTLRTPU-UHFFFAOYSA-N 2 0 352.573 3.187 20 0 FGADRP CC[NH+](CC)CCOc1ccc(C(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)cc1 ZINC000434057808 500788847 /nfs/dbraw/zinc/78/88/47/500788847.db2.gz GACGVDDYYICKDJ-FQEVSTJZSA-N 2 0 373.541 3.154 20 0 FGADRP C[C@H]([NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1)[C@H](C)N1CCOCC1 ZINC000438839805 500825506 /nfs/dbraw/zinc/82/55/06/500825506.db2.gz VXAFBPDZNFRJCO-CDNGDFIJSA-N 2 0 359.558 3.128 20 0 FGADRP C[C@H]([NH2+]C(C)(C)CNC(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1)c1ccccc1 ZINC000434348019 500829504 /nfs/dbraw/zinc/82/95/04/500829504.db2.gz CXVJSNWVLCKYJQ-PXNSSMCTSA-N 2 0 372.557 3.432 20 0 FGADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)[C@@H]([NH3+])Cc1c[nH]c2ccccc12 ZINC000438885069 500830845 /nfs/dbraw/zinc/83/08/45/500830845.db2.gz IIFUXNDKDFYMPU-SFHVURJKSA-N 2 0 350.466 3.046 20 0 FGADRP O=C(NC[C@H]1CCCC[N@@H+]1C1CC1)[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000434445437 500844025 /nfs/dbraw/zinc/84/40/25/500844025.db2.gz OESCNDLBYMBEJB-TZIWHRDSSA-N 2 0 355.526 3.032 20 0 FGADRP C[NH+](C)Cc1c2ccccc2oc1C(=O)NCC[N@@H+]1CCCC(C)(C)C1 ZINC000444624403 500868851 /nfs/dbraw/zinc/86/88/51/500868851.db2.gz WSIMEKYXYIORHW-UHFFFAOYSA-N 2 0 357.498 3.346 20 0 FGADRP C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)N(CC[NH+](C)C)Cc1cccs1 ZINC000439311836 500883892 /nfs/dbraw/zinc/88/38/92/500883892.db2.gz ZJPSJWMPKPAWKR-IRXDYDNUSA-N 2 0 366.575 3.084 20 0 FGADRP C[C@@H]1C[C@@H](NC(=O)c2ccccc2OCC[N@H+]2CCCC[C@@H]2C)CC[NH+]1C ZINC000607689582 506226247 /nfs/dbraw/zinc/22/62/47/506226247.db2.gz DHSGWOPTECHZBE-OTWHNJEPSA-N 2 0 373.541 3.152 20 0 FGADRP OC1CC[NH+](Cc2ccc(C[NH2+]Cc3ccnn3C3CCCC3)cc2)CC1 ZINC000449061937 500915384 /nfs/dbraw/zinc/91/53/84/500915384.db2.gz XHVAPTJRLGNGMS-UHFFFAOYSA-N 2 0 368.525 3.245 20 0 FGADRP C[N@@H+]1CCN(CCC[NH2+]Cc2cc3cccnc3o2)[C@H](c2ccccc2)C1 ZINC000449075064 500918005 /nfs/dbraw/zinc/91/80/05/500918005.db2.gz MFZGQISWNKGQEI-NRFANRHFSA-N 2 0 364.493 3.296 20 0 FGADRP C[C@H](C[NH2+][C@H](C)COc1ccc(Cl)c(Cl)c1)CN1CC[NH+](C)CC1 ZINC000449129763 500931539 /nfs/dbraw/zinc/93/15/39/500931539.db2.gz DENNCSLZTPWYLD-HUUCEWRRSA-N 2 0 374.356 3.234 20 0 FGADRP CC[NH+]1CCN(c2ccccc2C[NH+]2CCC([C@@H]3CCCO3)CC2)CC1 ZINC000439778975 500936944 /nfs/dbraw/zinc/93/69/44/500936944.db2.gz GEEZMNTUPIHSOU-QFIPXVFZSA-N 2 0 357.542 3.220 20 0 FGADRP CCNC(=O)N1CC[C@H]([NH2+]C2CC[NH+](C(C)(C)CC(C)(C)C)CC2)C1 ZINC000449191417 500944570 /nfs/dbraw/zinc/94/45/70/500944570.db2.gz XLARVJWSJNRTSF-KRWDZBQOSA-N 2 0 352.567 3.059 20 0 FGADRP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@@H]2CCO[C@]3(CCOC3)C2)CC1 ZINC000449201459 500946820 /nfs/dbraw/zinc/94/68/20/500946820.db2.gz HBBBIKMPQHLDAH-STZQEDGTSA-N 2 0 358.526 3.010 20 0 FGADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449247611 500956638 /nfs/dbraw/zinc/95/66/38/500956638.db2.gz GYCVDEPWNRHEPG-IBGZPJMESA-N 3 0 366.638 3.281 20 0 FGADRP CCN(Cc1cn(-c2ccc(F)cc2Cl)nn1)[C@H]1CCC[NH2+]CC1 ZINC000435385601 500964941 /nfs/dbraw/zinc/96/49/41/500964941.db2.gz QNPLYFDBOPSAII-HNNXBMFYSA-N 2 0 351.857 3.024 20 0 FGADRP CCCN(Cc1ccc(OC)c(OCc2cccnc2)c1)[C@@H]1CC[NH2+]C1 ZINC000435384912 500965403 /nfs/dbraw/zinc/96/54/03/500965403.db2.gz OWMJJNCCXLYCRU-LJQANCHMSA-N 2 0 355.482 3.243 20 0 FGADRP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3cn(-c4ccccc4)nc3-c3ccncc3)C[C@H]12 ZINC000435388654 500966007 /nfs/dbraw/zinc/96/60/07/500966007.db2.gz IHNUVQOLCZVWPS-DZFGPLHGSA-N 2 0 359.477 3.103 20 0 FGADRP CCn1ccnc1C[N@H+](C[C@H](C)CC1CCOCC1)[C@H]1CC12CC[NH2+]CC2 ZINC000435425252 500972551 /nfs/dbraw/zinc/97/25/51/500972551.db2.gz YIMFFLUKKAQTOO-QUCCMNQESA-N 2 0 374.573 3.300 20 0 FGADRP Cn1nnc2cc(C[N@H+](Cc3ccsc3)[C@@H]3CC34CC[NH2+]CC4)ccc21 ZINC000435425570 500972723 /nfs/dbraw/zinc/97/27/23/500972723.db2.gz DHWSKUQAPJXMEY-LJQANCHMSA-N 2 0 367.522 3.174 20 0 FGADRP Cn1ccnc1CN(Cc1cc(Cl)ccc1F)[C@@H]1CC12CC[NH2+]CC2 ZINC000435426244 500972782 /nfs/dbraw/zinc/97/27/82/500972782.db2.gz HEJVDEFMOIECHT-QGZVFWFLSA-N 2 0 362.880 3.357 20 0 FGADRP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+][C@H](CO)C[C@H](O)C(C)(C)C)CC1 ZINC000449313025 500974397 /nfs/dbraw/zinc/97/43/97/500974397.db2.gz OBALCNDJRBCENI-ROUUACIJSA-N 2 0 356.595 3.413 20 0 FGADRP O=C(NCCC[NH+]1CCCC1)C1CC[NH+](Cc2cccc3ccoc32)CC1 ZINC000449321673 500976928 /nfs/dbraw/zinc/97/69/28/500976928.db2.gz UCIGQLONBVATSU-UHFFFAOYSA-N 2 0 369.509 3.247 20 0 FGADRP Cn1cc(C[N@@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)c(-c2ccc(F)cc2)n1 ZINC000449325055 500977552 /nfs/dbraw/zinc/97/75/52/500977552.db2.gz JNUFUOVIZQPWMJ-GOSISDBHSA-N 2 0 356.489 3.390 20 0 FGADRP CN(C)c1ccccc1CN(Cc1nccs1)[C@H]1CC12CC[NH2+]CC2 ZINC000435686255 501011359 /nfs/dbraw/zinc/01/13/59/501011359.db2.gz SGUTZKWURIQRFB-SFHVURJKSA-N 2 0 356.539 3.353 20 0 FGADRP COc1ccc(CNC2C[C@H]3CC[C@@H](C2)[N@H+]3C)c(OCc2cccnc2)c1 ZINC000449560798 501033849 /nfs/dbraw/zinc/03/38/49/501033849.db2.gz PQCCOOONOIJGII-IHWFROFDSA-N 2 0 367.493 3.384 20 0 FGADRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2cnc(-c3ccsc3)s2)CC1 ZINC000449746764 501074068 /nfs/dbraw/zinc/07/40/68/501074068.db2.gz TZBSSKDYTHGJDX-UHFFFAOYSA-N 2 0 364.584 3.377 20 0 FGADRP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N[C@@H]1CC[NH+](Cc2ccccc2)CC1(C)C ZINC000582459175 506233258 /nfs/dbraw/zinc/23/32/58/506233258.db2.gz CCXOVOSCEUGFEE-UYAOXDASSA-N 2 0 374.573 3.315 20 0 FGADRP CC(C)Oc1ccc2[nH+]ccc(NC3CC[NH+](C[C@@H]4CCOC4)CC3)c2c1 ZINC000450342064 501095314 /nfs/dbraw/zinc/09/53/14/501095314.db2.gz PPIRQDVBYBJFRO-KRWDZBQOSA-N 2 0 369.509 3.357 20 0 FGADRP CC1(C)CCc2ccccc2[C@@H]([NH2+]CCC[N@@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC000436282578 501101582 /nfs/dbraw/zinc/10/15/82/501101582.db2.gz HKYJQGNAFBRNOE-ICSRJNTNSA-N 2 0 357.542 3.267 20 0 FGADRP CC[N@H+](CC(=O)NCc1ccccc1C[NH+]1C[C@H](C)C[C@@H](C)C1)C1CC1 ZINC000441276333 501113134 /nfs/dbraw/zinc/11/31/34/501113134.db2.gz HIOVKFCIONKMDJ-QZTJIDSGSA-N 2 0 357.542 3.265 20 0 FGADRP C[NH+](C)CCc1ccccc1NC(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C ZINC000446570652 501134729 /nfs/dbraw/zinc/13/47/29/501134729.db2.gz COVJATKMCDAKAK-HXUWFJFHSA-N 2 0 368.525 3.085 20 0 FGADRP CC[NH+]1CCN(Cc2ccc(C[NH2+][C@H](COC)C3CCCC3)cc2)CC1 ZINC000446746072 501159976 /nfs/dbraw/zinc/15/99/76/501159976.db2.gz VYHUMNXVPYEBRU-JOCHJYFZSA-N 2 0 359.558 3.119 20 0 FGADRP CC(C)[C@H](C[NH2+][C@H](COCc1ccccc1)C(C)C)N1CC[NH+](C)CC1 ZINC000446746227 501160374 /nfs/dbraw/zinc/16/03/74/501160374.db2.gz SYGWNBMRPDZGRK-YADHBBJMSA-N 2 0 361.574 3.089 20 0 FGADRP C[N@H+](CCc1cscn1)[C@H]1CCCN(CCc2cscn2)CC1 ZINC000450617404 501167526 /nfs/dbraw/zinc/16/75/26/501167526.db2.gz SURMPIHDDFEJJV-KRWDZBQOSA-N 2 0 350.557 3.171 20 0 FGADRP CCCc1ccc2[nH+]ccc(N3CC[C@@H](N4CC[NH+](CC)CC4)C3)c2c1 ZINC000450315071 501231910 /nfs/dbraw/zinc/23/19/10/501231910.db2.gz DAGXZDZKDFZQNX-LJQANCHMSA-N 2 0 352.526 3.404 20 0 FGADRP COc1cc(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)ccc1Cl ZINC000450320655 501232996 /nfs/dbraw/zinc/23/29/96/501232996.db2.gz WPCAIEPDAAXCRT-UHFFFAOYSA-N 2 0 352.906 3.283 20 0 FGADRP CC[NH+](Cc1cc(C[N@@H+](CC)[C@@H]2CCOC2)ccc1F)[C@@H]1CCOC1 ZINC000451047667 501241720 /nfs/dbraw/zinc/24/17/20/501241720.db2.gz CZIXMKMQOZJZJU-RTBURBONSA-N 2 0 350.478 3.047 20 0 FGADRP O=C(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1CCCC[NH+]1C1CCCC1 ZINC000451323648 501264673 /nfs/dbraw/zinc/26/46/73/501264673.db2.gz VXADTMBIYQJPLW-IFMALSPDSA-N 2 0 369.553 3.422 20 0 FGADRP O=C1CCCN1CCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000453098664 501268411 /nfs/dbraw/zinc/26/84/11/501268411.db2.gz VOAPIFZKWREIID-NJDAHSKKSA-N 2 0 355.526 3.032 20 0 FGADRP CCC[C@H](NC(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1)C(C)(C)C ZINC000455315573 501270077 /nfs/dbraw/zinc/27/00/77/501270077.db2.gz ZAFACSFMQRZXMM-SWDXFRIISA-N 2 0 364.578 3.154 20 0 FGADRP CC(C)[C@@H](CNC(=O)NCCCC[N@H+](C)C1CC1)[NH+]1CCCCCC1 ZINC000457629418 501271974 /nfs/dbraw/zinc/27/19/74/501271974.db2.gz UZHRWJNRXPNQRV-LJQANCHMSA-N 2 0 352.567 3.061 20 0 FGADRP C[C@@H](CCCc1cccnc1)[NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000453125940 501273902 /nfs/dbraw/zinc/27/39/02/501273902.db2.gz XPKYZKFHKJBQCK-FQEVSTJZSA-N 2 0 358.574 3.333 20 0 FGADRP CC[NH+](CC)Cc1cccc(CNC(=O)NCC[C@H]2CCC[N@H+](C)C2)c1 ZINC000457655177 501279097 /nfs/dbraw/zinc/27/90/97/501279097.db2.gz CGIUKXWEDWEOTL-GOSISDBHSA-N 2 0 360.546 3.060 20 0 FGADRP C[C@H]([NH2+]CCc1ccc(OCC[NH+]2C[C@H](C)[C@@H](C)C2)cc1)c1ccncn1 ZINC000453161153 501282110 /nfs/dbraw/zinc/28/21/10/501282110.db2.gz ISASRDKXRZTTDF-FHWLQOOXSA-N 2 0 368.525 3.337 20 0 FGADRP COc1ccc2c(c1)C[C@H]([NH2+][C@H](C)[C@@H]1CC[N@H+](Cc3ccccc3)C1)CO2 ZINC000453195347 501288689 /nfs/dbraw/zinc/28/86/89/501288689.db2.gz JNTMFTKKPMCOQG-QFUCXCTJSA-N 2 0 366.505 3.499 20 0 FGADRP C[C@@H](CNC(=O)N(CC[NH+](C)C)Cc1ccsc1)[N@@H+]1CCCC[C@H]1C ZINC000457705955 501291644 /nfs/dbraw/zinc/29/16/44/501291644.db2.gz LNQGSCNFKDQEON-SJORKVTESA-N 2 0 366.575 3.084 20 0 FGADRP CC(=O)N1CCCN(C[C@@H]2CCC[N@@H+](CC[C@H]3CCC[C@@H](C)C3)C2)CC1 ZINC000451529105 501313569 /nfs/dbraw/zinc/31/35/69/501313569.db2.gz GJSGVRFPUTXWOE-CEMLEFRQSA-N 2 0 363.590 3.469 20 0 FGADRP CC(=O)N1CCCN(C[C@@H]2CCC[N@@H+](CCCSCC(C)C)C2)CC1 ZINC000451533861 501315322 /nfs/dbraw/zinc/31/53/22/501315322.db2.gz WZEDQFZQIMZRAE-HXUWFJFHSA-N 2 0 369.619 3.032 20 0 FGADRP CC(=O)N1CCCN(C[C@H]2CCC[N@@H+](CCCSCC(C)C)C2)CC1 ZINC000451533858 501315414 /nfs/dbraw/zinc/31/54/14/501315414.db2.gz WZEDQFZQIMZRAE-FQEVSTJZSA-N 2 0 369.619 3.032 20 0 FGADRP CN1CCO[C@H]([C@@H]([NH2+]CCCC[N@H+](C)C2CC2)c2ccc(Cl)cc2)C1 ZINC000453420156 501328008 /nfs/dbraw/zinc/32/80/08/501328008.db2.gz ZJSCITQISRNFCX-PMACEKPBSA-N 2 0 365.949 3.176 20 0 FGADRP C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)NCCCC[NH+](C)C1CC1 ZINC000455607632 501346034 /nfs/dbraw/zinc/34/60/34/501346034.db2.gz JCCJNGUSAIWLJK-IBGZPJMESA-N 2 0 372.557 3.167 20 0 FGADRP Cc1ccc(CC[NH2+]Cc2ccccc2N(C)C2CC[NH+](C)CC2)nc1 ZINC000453598891 501357977 /nfs/dbraw/zinc/35/79/77/501357977.db2.gz KBSRQUZTEHHCBW-UHFFFAOYSA-N 2 0 352.526 3.253 20 0 FGADRP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000455850311 501399970 /nfs/dbraw/zinc/39/99/70/501399970.db2.gz KRSVDQMUVFTNFI-FOIQADDNSA-N 2 0 358.530 3.430 20 0 FGADRP CC[NH+]1CCN(CC(C)(C)[NH2+]CCOc2ccc(C(F)(F)F)cc2)CC1 ZINC000451985194 501413756 /nfs/dbraw/zinc/41/37/56/501413756.db2.gz MFBSYCQSUDWYCB-UHFFFAOYSA-N 2 0 373.463 3.090 20 0 FGADRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2nc(-c3ccsc3)oc2C)CC1 ZINC000451990698 501414576 /nfs/dbraw/zinc/41/45/76/501414576.db2.gz RSYXMOWPFGZMTO-UHFFFAOYSA-N 2 0 362.543 3.217 20 0 FGADRP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)NC2CC[NH+]([C@@H](C)c3ccccc3)CC2)C1 ZINC000458416580 501439923 /nfs/dbraw/zinc/43/99/23/501439923.db2.gz QIXQCSUXIJMOEQ-RXVVDRJESA-N 2 0 372.557 3.336 20 0 FGADRP CCC[C@@H]([NH2+]C(C)C)C(=O)NC[C@@H](c1ccc(SC)cc1)[NH+](C)C ZINC000452161002 501448846 /nfs/dbraw/zinc/44/88/46/501448846.db2.gz FCPUDVQHVWUZBU-MSOLQXFVSA-N 2 0 351.560 3.294 20 0 FGADRP C[C@H]1CN(C(=O)c2ccc(C[NH+]3CCCCC3)cc2)CC[N@@H+](C2CC2)C1 ZINC000452177161 501453752 /nfs/dbraw/zinc/45/37/52/501453752.db2.gz WSAMOBNUFWSCHP-GOSISDBHSA-N 2 0 355.526 3.229 20 0 FGADRP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)NCC[C@H](C)[NH+](C)Cc2ccccc2)C1 ZINC000458505094 501461230 /nfs/dbraw/zinc/46/12/30/501461230.db2.gz NGJGPTOUIHSMFP-AZUAARDMSA-N 2 0 360.546 3.021 20 0 FGADRP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)N[C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000458512542 501463159 /nfs/dbraw/zinc/46/31/59/501463159.db2.gz YIHPTPBSZPJJDD-GIVPXCGWSA-N 2 0 372.557 3.164 20 0 FGADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)NC(C)(C)CCC[NH+](C)C ZINC000458519267 501464690 /nfs/dbraw/zinc/46/46/90/501464690.db2.gz WLBGTSFPDZBWPX-AZUAARDMSA-N 2 0 374.573 3.317 20 0 FGADRP CC(C)[NH+]1CCC(NC(=O)NCC2([N@H+](C)Cc3ccccc3)CCC2)CC1 ZINC000454198838 501480971 /nfs/dbraw/zinc/48/09/71/501480971.db2.gz PFXPZAXMNWLAPT-UHFFFAOYSA-N 2 0 372.557 3.213 20 0 FGADRP C[NH+](C)[C@H]1CCc2cc(NC(=O)CC3([NH+]4CCOCC4)CCCC3)ccc21 ZINC000456264061 501483666 /nfs/dbraw/zinc/48/36/66/501483666.db2.gz HEUVTFIGFQVZNY-FQEVSTJZSA-N 2 0 371.525 3.209 20 0 FGADRP CC(C)[C@@H](CNC(=O)NC1CC[NH+](C2CCC2)CC1)[NH+]1CCC(C)CC1 ZINC000454262188 501495453 /nfs/dbraw/zinc/49/54/53/501495453.db2.gz JHSPZGSMWJPIIL-HXUWFJFHSA-N 2 0 364.578 3.059 20 0 FGADRP Cc1ccccc1[C@H]([C@H](C)NC(=O)N1CC[C@]2(C1)CCC[N@H+](C)C2)[NH+](C)C ZINC000458783436 501530474 /nfs/dbraw/zinc/53/04/74/501530474.db2.gz VDQUKLKJGNTXQL-RCZSKKKRSA-N 2 0 372.557 3.114 20 0 FGADRP Cc1ccccc1[C@H]([C@@H](C)NC(=O)NCC[C@@H]1CCC[N@H+](C)C1)[NH+](C)C ZINC000458785442 501531065 /nfs/dbraw/zinc/53/10/65/501531065.db2.gz WMROUIWHIMNIFE-HBFSDRIKSA-N 2 0 360.546 3.017 20 0 FGADRP O=C(NC1CC[NH+](C2CCC2)CC1)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000456680684 501575297 /nfs/dbraw/zinc/57/52/97/501575297.db2.gz FWCOKZTUKCYXGF-GOSISDBHSA-N 2 0 373.516 3.171 20 0 FGADRP C[C@H](CCNC(=O)N[C@@H]1C[C@H](C)n2ccnc21)[N@H+](C)Cc1ccccc1 ZINC000454581962 501583639 /nfs/dbraw/zinc/58/36/39/501583639.db2.gz BWFOYMFGDNAPQN-SOLBZPMBSA-N 2 0 355.486 3.099 20 0 FGADRP CCC[N@@H+]1CC[C@@H](CNC(=O)NCC2([NH+](C)Cc3ccccc3)CCC2)C1 ZINC000454588051 501584978 /nfs/dbraw/zinc/58/49/78/501584978.db2.gz PUGKJWLBCIUIGZ-FQEVSTJZSA-N 2 0 372.557 3.072 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)NCC[C@H]2CCC[NH+](C)C2)C1 ZINC000459268544 501622164 /nfs/dbraw/zinc/62/21/64/501622164.db2.gz SENRKRZTBPPHQJ-VAMGGRTRSA-N 2 0 364.578 3.014 20 0 FGADRP C[N@H+](CCCCNC(=O)NC[C@]1(C)CCC[NH+]1Cc1ccccc1)C1CC1 ZINC000454828293 501638769 /nfs/dbraw/zinc/63/87/69/501638769.db2.gz DIGBXGFNMXRVNM-QFIPXVFZSA-N 2 0 372.557 3.215 20 0 FGADRP C[C@@H]1CN(c2ccccc2C[NH2+]Cc2ccc(C[NH+](C)C)cc2)CCO1 ZINC000459378510 501642286 /nfs/dbraw/zinc/64/22/86/501642286.db2.gz OOWHABMLVAHBKZ-GOSISDBHSA-N 2 0 353.510 3.263 20 0 FGADRP CC(C)(C)NC(=O)C[NH+]1CCC(C[NH2+]Cc2ccc(C3CC3)cc2)CC1 ZINC000459432599 501652786 /nfs/dbraw/zinc/65/27/86/501652786.db2.gz SECQPLHNZOKGKV-UHFFFAOYSA-N 2 0 357.542 3.280 20 0 FGADRP C[NH+]1CCC(O)(C[NH2+]C/C=C/c2ccc(OCc3ccccc3)cc2)CC1 ZINC000459433699 501653157 /nfs/dbraw/zinc/65/31/57/501653157.db2.gz NVANXEYTBPHJNA-VMPITWQZSA-N 2 0 366.505 3.325 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N1CC[C@@]2(C1)CCC[N@H+](C)C2)c1ccccc1 ZINC000457457443 501702007 /nfs/dbraw/zinc/70/20/07/501702007.db2.gz NROKTAIHGSYTQO-IRLDBZIGSA-N 2 0 372.557 3.197 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1[nH]c2ccc(C)cc2c1C ZINC000481286511 501733909 /nfs/dbraw/zinc/73/39/09/501733909.db2.gz CDZUECOVKGIJBS-GOSISDBHSA-N 2 0 370.541 3.273 20 0 FGADRP CO[C@H]1C[NH+](Cc2ccc(C[N@@H+]3CC[C@@H](C)[C@H](OC)C3)cc2)CC[C@@H]1C ZINC000467286945 501758215 /nfs/dbraw/zinc/75/82/15/501758215.db2.gz BSMQKIQQPONZMW-VVIORFSUSA-N 2 0 360.542 3.400 20 0 FGADRP CC1=CC[N@H+](CCNC(=O)NCC(C)(C)[NH2+][C@H](C)c2ccccc2)CC1 ZINC000460217134 501762213 /nfs/dbraw/zinc/76/22/13/501762213.db2.gz PWLNSDPVEFHNBR-GOSISDBHSA-N 2 0 358.530 3.067 20 0 FGADRP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+]C2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)C1 ZINC000467350368 501775013 /nfs/dbraw/zinc/77/50/13/501775013.db2.gz PMUAAVSZJGAFHL-PMXSJFBMSA-N 2 0 357.542 3.384 20 0 FGADRP CC[NH+](CC)CCCNC(=O)N(C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000470741378 501789037 /nfs/dbraw/zinc/78/90/37/501789037.db2.gz WLHKZHAWMFKPSW-HXUWFJFHSA-N 2 0 360.546 3.024 20 0 FGADRP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)NC1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000460359438 501803303 /nfs/dbraw/zinc/80/33/03/501803303.db2.gz FNSWPKPBHNMKJP-GBESFXJTSA-N 2 0 374.573 3.171 20 0 FGADRP C[C@H]1CCCC[N@@H+]1CCCNC(=O)N[C@@H](c1nccn1C)c1ccccc1 ZINC000611728282 506274420 /nfs/dbraw/zinc/27/44/20/506274420.db2.gz KJABGMVLTASGBB-PKOBYXMFSA-N 2 0 369.513 3.073 20 0 FGADRP COC(=O)c1csc(-c2cccc(C[NH2+][C@@H]3C[C@H](C)[N@H+](C)C[C@@H]3C)c2)n1 ZINC000477856316 501810913 /nfs/dbraw/zinc/81/09/13/501810913.db2.gz QBZUUCMSNFPNRN-GRDNDAEWSA-N 2 0 373.522 3.415 20 0 FGADRP CC[NH+](CC)CCNC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000485445439 501823155 /nfs/dbraw/zinc/82/31/55/501823155.db2.gz QEAMQFSOUUSBRM-NHCUHLMSSA-N 2 0 372.557 3.024 20 0 FGADRP CC[NH+](CC)CCNC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000485445436 501823663 /nfs/dbraw/zinc/82/36/63/501823663.db2.gz QEAMQFSOUUSBRM-LEWJYISDSA-N 2 0 372.557 3.024 20 0 FGADRP CCCCNC(=O)[C@H](C)[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000485472738 501831263 /nfs/dbraw/zinc/83/12/63/501831263.db2.gz XDVXTOFFWKBHFN-IBGZPJMESA-N 2 0 357.542 3.279 20 0 FGADRP C[C@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+]1CCCC2(CCC2)C1 ZINC000470865177 501834721 /nfs/dbraw/zinc/83/47/21/501834721.db2.gz FPCXZNKZZIKLPA-QUCCMNQESA-N 2 0 355.526 3.032 20 0 FGADRP CCC(CC)[C@H](CNC(=O)NCc1ccc(C[NH+](C)C)cc1)[NH+]1CCCC1 ZINC000611738146 506278219 /nfs/dbraw/zinc/27/82/19/506278219.db2.gz WDTTZRWFIJUQKT-NRFANRHFSA-N 2 0 374.573 3.448 20 0 FGADRP c1cn(-c2ccc(C[NH+]3C[C@H]4C[N@H+](Cc5ccccc5)C[C@H]4C3)cc2)cn1 ZINC000471023343 501895091 /nfs/dbraw/zinc/89/50/91/501895091.db2.gz SOGXHIDKOAQVIV-SZPZYZBQSA-N 2 0 358.489 3.436 20 0 FGADRP C[C@@H]([NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1)C1(c2ccccc2)CCCC1 ZINC000481845020 501898348 /nfs/dbraw/zinc/89/83/48/501898348.db2.gz LHDYVMSCXQTPHA-GOSISDBHSA-N 2 0 369.553 3.220 20 0 FGADRP CCN(CC[NH+]1CCCCCC1)C(=O)NCc1ccnc(N2CCCC2)c1 ZINC000478239761 501919122 /nfs/dbraw/zinc/91/91/22/501919122.db2.gz RSEQJMGYEKQKAA-UHFFFAOYSA-N 2 0 373.545 3.089 20 0 FGADRP C[C@H](CCNC(=O)N(CC[NH+](C)C)C1CCCC1)[N@H+](C)Cc1ccccc1 ZINC000468007438 501927693 /nfs/dbraw/zinc/92/76/93/501927693.db2.gz XMKFVGLAAPZZTC-LJQANCHMSA-N 2 0 374.573 3.413 20 0 FGADRP CC(C)C[C@@H](CNC(=O)N1CCC[N@H+](C)CC1)[NH2+][C@@H](C)c1ccccc1 ZINC000468023131 501932413 /nfs/dbraw/zinc/93/24/13/501932413.db2.gz WCLBESKKHJAIEQ-ICSRJNTNSA-N 2 0 360.546 3.099 20 0 FGADRP CC(C)C[C@H](CNC(=O)N1CCC[N@H+](C)CC1)[NH2+][C@H](C)c1ccccc1 ZINC000468023133 501932556 /nfs/dbraw/zinc/93/25/56/501932556.db2.gz WCLBESKKHJAIEQ-UYAOXDASSA-N 2 0 360.546 3.099 20 0 FGADRP CC(C)C[C@H](CNC(=O)N1CCC[C@@H]([NH+](C)C)C1)[NH2+][C@@H](C)c1ccccc1 ZINC000468029092 501934618 /nfs/dbraw/zinc/93/46/18/501934618.db2.gz JTVQBWUAHHKCJN-CEWLAPEOSA-N 2 0 374.573 3.488 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)c2cc([C@@H]3CC[NH2+]C3)[nH]n2)cc1 ZINC000485787945 501936743 /nfs/dbraw/zinc/93/67/43/501936743.db2.gz QQVVJCACVGHVAW-NVXWUHKLSA-N 2 0 367.497 3.113 20 0 FGADRP CC[N@@H+]1CC[C@@H](N(C)CC(=O)NCCc2ccc(C(C)(C)C)cc2)[C@@H](C)C1 ZINC000471235403 501962768 /nfs/dbraw/zinc/96/27/68/501962768.db2.gz OZPPEWMQGULTPZ-GHTZIAJQSA-N 2 0 373.585 3.305 20 0 FGADRP CC[NH+](CC)[C@@H](C(=O)NCC1(SC)CC[NH+](C)CC1)c1ccccc1 ZINC000460964728 501972844 /nfs/dbraw/zinc/97/28/44/501972844.db2.gz ABNODUOUTCXEGF-GOSISDBHSA-N 2 0 363.571 3.013 20 0 FGADRP CC[NH+](CC)Cc1ccccc1CNC(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000478422344 501977070 /nfs/dbraw/zinc/97/70/70/501977070.db2.gz RWFFXCXLTMPSCR-UHFFFAOYSA-N 2 0 374.573 3.450 20 0 FGADRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccncc1 ZINC000482115047 501978305 /nfs/dbraw/zinc/97/83/05/501978305.db2.gz OZLDLTXMDSRWNF-LAUBAEHRSA-N 2 0 361.493 3.364 20 0 FGADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H](O)COc1cccc2[nH]ccc21 ZINC000482141025 501988010 /nfs/dbraw/zinc/98/80/10/501988010.db2.gz XIZWHUKDYPGSHP-NSHGMRRFSA-N 2 0 373.541 3.398 20 0 FGADRP Fc1ccc2c(c1)CC[C@@H]2[NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000482145209 501989263 /nfs/dbraw/zinc/98/92/63/501989263.db2.gz NMMBVSXRLVGUOV-NRFANRHFSA-N 2 0 354.473 3.010 20 0 FGADRP CCN(C(=O)NCCC[NH+]1CCCCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475010108 502021099 /nfs/dbraw/zinc/02/10/99/502021099.db2.gz NAVFQIYKPYVOMT-NRFANRHFSA-N 2 0 372.557 3.168 20 0 FGADRP CN(C(=O)NCC1([NH+](C)C)CCCCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475018440 502022821 /nfs/dbraw/zinc/02/28/21/502022821.db2.gz UZSMOBIMQHMYMZ-HXUWFJFHSA-N 2 0 372.557 3.167 20 0 FGADRP C[NH+](C)[C@@H](CNC(=O)C[N@@H+]1CC[C@@H](c2ccc(F)cc2)C1)c1ccccc1 ZINC000475042683 502032503 /nfs/dbraw/zinc/03/25/03/502032503.db2.gz ZFEILFDJMKDZRL-CTNGQTDRSA-N 2 0 369.484 3.034 20 0 FGADRP C[C@H](CC[NH+]1CCC(CC[NH+]2CCOCC2)CC1)OCc1ccccc1 ZINC000475050059 502036995 /nfs/dbraw/zinc/03/69/95/502036995.db2.gz ULTUBCMCBUXKHC-HXUWFJFHSA-N 2 0 360.542 3.416 20 0 FGADRP COc1ccc(Cn2nc(C)c(C[N@H+](C)CC3CC[NH+](C)CC3)c2C)cc1 ZINC000468404903 502048632 /nfs/dbraw/zinc/04/86/32/502048632.db2.gz GHVGIPVKSPTBCF-UHFFFAOYSA-N 2 0 370.541 3.330 20 0 FGADRP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N(C)[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000475093618 502055231 /nfs/dbraw/zinc/05/52/31/502055231.db2.gz HAKRZJBRYPTNDV-LEWJYISDSA-N 2 0 372.557 3.023 20 0 FGADRP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000461267408 502058021 /nfs/dbraw/zinc/05/80/21/502058021.db2.gz SFBZTMMROXEFED-OAQYLSRUSA-N 2 0 357.542 3.231 20 0 FGADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)N(C)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000475113244 502063318 /nfs/dbraw/zinc/06/33/18/502063318.db2.gz GBCLQSHWRBYMAO-SFTDATJTSA-N 2 0 372.557 3.167 20 0 FGADRP Cc1cc(C)cc([C@H](C)[NH2+]CCCC[NH+]2CCN(c3ncccn3)CC2)c1 ZINC000482441997 502068294 /nfs/dbraw/zinc/06/82/94/502068294.db2.gz WUDVANJULMUEMT-FQEVSTJZSA-N 2 0 367.541 3.346 20 0 FGADRP C[C@@H](CNC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCC(C)CC1 ZINC000475128158 502070019 /nfs/dbraw/zinc/07/00/19/502070019.db2.gz FWYCIUULSUMLGB-FPOVZHCZSA-N 2 0 372.557 3.023 20 0 FGADRP Cc1ccc([C@@H](C)[NH2+]CCCC[NH+]2CCN(c3ncccn3)CC2)cc1 ZINC000482455784 502073874 /nfs/dbraw/zinc/07/38/74/502073874.db2.gz YSLISLIBQXSDBG-LJQANCHMSA-N 2 0 353.514 3.038 20 0 FGADRP CC(C)(CNC(=O)NCc1cccc(C[NH+]2CCCC2)c1)C[NH+]1CCCC1 ZINC000478755120 502076746 /nfs/dbraw/zinc/07/67/46/502076746.db2.gz BVFBBKSWYNLMDT-UHFFFAOYSA-N 2 0 372.557 3.204 20 0 FGADRP CC[NH+](CC)Cc1cccc(CNC(=O)N2CC[C@@H]([NH+]3CCCC3)[C@@H]2C)c1 ZINC000478769865 502081251 /nfs/dbraw/zinc/08/12/51/502081251.db2.gz MUQPCFJQBJBIQA-GHTZIAJQSA-N 2 0 372.557 3.297 20 0 FGADRP C[NH+](C)C1(CNC(=O)NC2CC[NH+](C3CCCCC3)CC2)CCCCC1 ZINC000475148503 502081294 /nfs/dbraw/zinc/08/12/94/502081294.db2.gz KXCDSWUMXOEOSQ-UHFFFAOYSA-N 2 0 364.578 3.347 20 0 FGADRP Cc1cccc(C(C)(C)[NH2+]CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)c1 ZINC000475153171 502083347 /nfs/dbraw/zinc/08/33/47/502083347.db2.gz FOZUBUXVRSPJLB-FQEVSTJZSA-N 2 0 353.510 3.239 20 0 FGADRP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@@H+]2C[C@H](C)CC[C@@H]2C)CC1 ZINC000464810742 502101245 /nfs/dbraw/zinc/10/12/45/502101245.db2.gz KYZOGDODFZXKNY-QUCCMNQESA-N 2 0 357.542 3.150 20 0 FGADRP CC(C)=CCOc1ccc(CC[C@@H](C)[NH2+]CC2(O)CC[NH+](C)CC2)cc1 ZINC000468553000 502102391 /nfs/dbraw/zinc/10/23/91/502102391.db2.gz JRRXHWYFIACZPW-LJQANCHMSA-N 2 0 360.542 3.399 20 0 FGADRP C[C@@H]([NH2+]CCc1ccc(OCC[NH+](C)C)cc1)c1ccc2c(c1)OCCO2 ZINC000482544775 502106615 /nfs/dbraw/zinc/10/66/15/502106615.db2.gz VGWCFBCFIUCMNB-QGZVFWFLSA-N 2 0 370.493 3.292 20 0 FGADRP C[N@@H+]1CCCC[C@@H]1CCC(=O)N1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000461448079 502118208 /nfs/dbraw/zinc/11/82/08/502118208.db2.gz OTISRGJYVFNZJX-BHDDXSALSA-N 2 0 369.553 3.231 20 0 FGADRP CCC[NH+]1CCN(c2ccccc2C[NH2+]CC[C@@H](OC)C(F)(F)F)CC1 ZINC000468604093 502120784 /nfs/dbraw/zinc/12/07/84/502120784.db2.gz XCJYDRDCKHWCSV-GOSISDBHSA-N 2 0 373.463 3.276 20 0 FGADRP [NH3+]C[C@@H](Cc1ccccc1)[C@@H]1CCCCN1CC(=O)Nc1ccccc1 ZINC000471832152 502147957 /nfs/dbraw/zinc/14/79/57/502147957.db2.gz JUAJOGVVWAXZJD-CTNGQTDRSA-N 2 0 351.494 3.297 20 0 FGADRP CNC(=O)c1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H](C[NH3+])Cc2ccccc2)cc1 ZINC000471833948 502149063 /nfs/dbraw/zinc/14/90/63/502149063.db2.gz DCPIPHHAXPWTIM-FGZHOGPDSA-N 2 0 365.521 3.218 20 0 FGADRP C[C@H](C[NH+]1CCCCCC1)NC(=O)NCCCC[N@@H+]1CCCC[C@@H]1C ZINC000482738798 502166112 /nfs/dbraw/zinc/16/61/12/502166112.db2.gz GUCRGDQTJCIWLG-MOPGFXCFSA-N 2 0 352.567 3.205 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@H](C)C[NH+](C)Cc2ccccc2)C[C@@H]1C ZINC000461721039 502179108 /nfs/dbraw/zinc/17/91/08/502179108.db2.gz FYNLHRQIMCMOOM-HBFSDRIKSA-N 2 0 360.546 3.021 20 0 FGADRP CC[NH+](CC)Cc1ccccc1CNC(=O)[C@@H](C[NH3+])c1ccc(F)cc1 ZINC000479221931 502197503 /nfs/dbraw/zinc/19/75/03/502197503.db2.gz LPBIKNRRFNPTGI-FQEVSTJZSA-N 2 0 357.473 3.026 20 0 FGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)Nc1ccc(OCC[NH+]2CC[C@@H](C)C2)cc1 ZINC000465196959 502211864 /nfs/dbraw/zinc/21/18/64/502211864.db2.gz QEMPJXXVJBGQOZ-YLJYHZDGSA-N 2 0 359.514 3.220 20 0 FGADRP CCSc1cccc(C[NH2+]CCCN2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000472065056 502217471 /nfs/dbraw/zinc/21/74/71/502217471.db2.gz VZDNGCPAFWIHSO-UHFFFAOYSA-N 2 0 370.566 3.496 20 0 FGADRP C[C@@H]1C[C@H](NC(=O)c2ccccc2C[NH+](C)C)C[N@@H+]1Cc1ccccc1 ZINC000486643308 502218135 /nfs/dbraw/zinc/21/81/35/502218135.db2.gz VXKVKJCCZUIXCQ-XLIONFOSSA-N 2 0 351.494 3.141 20 0 FGADRP CC[NH+](CC)CCOc1ccccc1NC(=O)C1CC[NH+](C(C)C)CC1 ZINC000461871673 502219258 /nfs/dbraw/zinc/21/92/58/502219258.db2.gz NKQAOCUBHQNPRJ-UHFFFAOYSA-N 2 0 361.530 3.466 20 0 FGADRP Cc1ccc(NC(=O)CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)nc1 ZINC000482943908 502223348 /nfs/dbraw/zinc/22/33/48/502223348.db2.gz FXEDMXGCOFUTGC-AZUAARDMSA-N 2 0 366.509 3.219 20 0 FGADRP C[C@H](NC(=O)NC[C@H](c1ccsc1)[NH+](C)C)[C@H](c1ccccc1)[NH+](C)C ZINC000479356379 502234069 /nfs/dbraw/zinc/23/40/69/502234069.db2.gz XMLGCXJEDOWCSJ-KFKAGJAMSA-N 2 0 374.554 3.341 20 0 FGADRP C[C@@H]1C[N@@H+](Cc2ccc(C[NH2+][C@H]3CCCc4nn(C)cc43)cc2)C[C@H](C)O1 ZINC000479360595 502235528 /nfs/dbraw/zinc/23/55/28/502235528.db2.gz METACXMOSHKCMT-FVJLSDCUSA-N 2 0 368.525 3.197 20 0 FGADRP CCC[N@@H+]1CCC[C@H]1CNC(=O)NC[C@@H](c1ccsc1)[NH+](CC)CC ZINC000479389367 502243934 /nfs/dbraw/zinc/24/39/34/502243934.db2.gz PDGNEVABEZTCAP-ROUUACIJSA-N 2 0 366.575 3.305 20 0 FGADRP CC(C)OCC[C@H](O)C[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000472170583 502256760 /nfs/dbraw/zinc/25/67/60/502256760.db2.gz IALRCNLXYILXTI-NRFANRHFSA-N 2 0 360.542 3.151 20 0 FGADRP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000479472037 502268841 /nfs/dbraw/zinc/26/88/41/502268841.db2.gz GNOQDHNRFXHHCX-INIZCTEOSA-N 2 0 352.482 3.049 20 0 FGADRP CC[NH+](CC)CCCNC(=O)N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000465458096 502269665 /nfs/dbraw/zinc/26/96/65/502269665.db2.gz YSHDOCIAUDAURH-LJQANCHMSA-N 2 0 360.546 3.024 20 0 FGADRP C[N@H+](CCNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1)Cc1ccc(F)cc1 ZINC000483122028 502280383 /nfs/dbraw/zinc/28/03/83/502280383.db2.gz PMBALMHEQLTIBO-SFHVURJKSA-N 2 0 361.505 3.028 20 0 FGADRP C[C@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)c1cccc(NS(C)(=O)=O)c1 ZINC000483154206 502295074 /nfs/dbraw/zinc/29/50/74/502295074.db2.gz IGMAKHPQYIJPAV-WMLDXEAASA-N 2 0 355.548 3.075 20 0 FGADRP C[C@@H]1C[C@@H](CCNC(=O)CC2CC[NH+](C)CC2)C[N@@H+]1Cc1ccccc1 ZINC000486910456 502300763 /nfs/dbraw/zinc/30/07/63/502300763.db2.gz HYKRGKUYFRIWFK-WIYYLYMNSA-N 2 0 357.542 3.135 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCCCC1CCCC1 ZINC000465552195 502304499 /nfs/dbraw/zinc/30/44/99/502304499.db2.gz ZLOWBHVJLYNOCQ-LJQANCHMSA-N 2 0 352.567 3.014 20 0 FGADRP CN(C)[C@@H](C(=O)N1CCC[C@H](Cc2nccn2C)C1)c1cccc(Cl)c1 ZINC000483269901 502334367 /nfs/dbraw/zinc/33/43/67/502334367.db2.gz OGVOJSPPQQIZJU-DNVCBOLYSA-N 2 0 374.916 3.158 20 0 FGADRP c1cc(OCC2CC2)ccc1C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000483277678 502336979 /nfs/dbraw/zinc/33/69/79/502336979.db2.gz LJSPTZMGSAWZBJ-UHFFFAOYSA-N 2 0 358.526 3.410 20 0 FGADRP CC[N@H+](CCC1CC[NH2+]CC1)CC(=O)Nc1ccccc1C(F)(F)F ZINC000479679760 502341791 /nfs/dbraw/zinc/34/17/91/502341791.db2.gz ZOKWGQKSJALSTD-UHFFFAOYSA-N 2 0 357.420 3.356 20 0 FGADRP Brc1ccc(C2([NH2+]CCC3CC[NH2+]CC3)CCOCC2)cc1 ZINC000479685038 502344117 /nfs/dbraw/zinc/34/41/17/502344117.db2.gz KURSYGXSRPBNCA-UHFFFAOYSA-N 2 0 367.331 3.434 20 0 FGADRP CC[NH+](CC)[C@H]1CCN(C(=O)NC[C@@H]2CCCC[N@@H+]2Cc2ccccc2)C1 ZINC000465772971 502379688 /nfs/dbraw/zinc/37/96/88/502379688.db2.gz QYUMKFDPIOPYIV-SFTDATJTSA-N 2 0 372.557 3.167 20 0 FGADRP C[C@@H](NC(=O)NCCCC[NH+]1CCC(C)CC1)[C@H](c1ccccc1)[NH+](C)C ZINC000479807774 502383702 /nfs/dbraw/zinc/38/37/02/502383702.db2.gz BFPHPXWAAIQUJD-TZIWHRDSSA-N 2 0 374.573 3.489 20 0 FGADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)NC[C@H](c2ccco2)[NH+](CC)CC)C1 ZINC000465809762 502391915 /nfs/dbraw/zinc/39/19/15/502391915.db2.gz JTSMRUPBZRBSNS-QZTJIDSGSA-N 2 0 364.534 3.036 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)C[C@H]1C ZINC000483494476 502411009 /nfs/dbraw/zinc/41/10/09/502411009.db2.gz ADIPZMYLHQZARA-HLAWJBBLSA-N 2 0 372.557 3.338 20 0 FGADRP CCC[N@@H+]1CC[C@H](CNC(=O)N[C@H](C[NH+](C)Cc2ccccc2)C(C)C)C1 ZINC000469435556 502415552 /nfs/dbraw/zinc/41/55/52/502415552.db2.gz CWZJDGCRGMLPAB-NHCUHLMSSA-N 2 0 374.573 3.174 20 0 FGADRP C[C@H](CNC(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1)[NH+](C)Cc1ccccc1 ZINC000465890953 502417211 /nfs/dbraw/zinc/41/72/11/502417211.db2.gz KPUPGCBDAUYLKO-NQIIRXRSSA-N 2 0 372.557 3.071 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@H](C)Oc2cccc(F)c2)[C@@H](C)C1 ZINC000483538070 502425192 /nfs/dbraw/zinc/42/51/92/502425192.db2.gz LHOJOVFUJMJGCQ-ZWOKBUDYSA-N 2 0 352.494 3.320 20 0 FGADRP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC000472761193 502433049 /nfs/dbraw/zinc/43/30/49/502433049.db2.gz DBUMTVPBKXVHML-RDJZCZTQSA-N 2 0 364.921 3.260 20 0 FGADRP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)NC[C@H]1CCC[NH+]1Cc1ccccc1 ZINC000465939352 502434146 /nfs/dbraw/zinc/43/41/46/502434146.db2.gz SHPGQCKBSMGORV-NHCUHLMSSA-N 2 0 372.557 3.167 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1scc(C)c1Cl ZINC000480029899 502451293 /nfs/dbraw/zinc/45/12/93/502451293.db2.gz GPHQVLIXAJLVKS-CQSZACIVSA-N 2 0 357.951 3.198 20 0 FGADRP C[N@@H+]1CCN(C(=O)c2ccc(Nc3cc[nH+]cc3)cc2)C2(CCCCC2)C1 ZINC000480041574 502455881 /nfs/dbraw/zinc/45/58/81/502455881.db2.gz HIUVUFJSBNQCRP-UHFFFAOYSA-N 2 0 364.493 3.338 20 0 FGADRP C[C@@H]1C[C@@H](N(C)C(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)CC[NH+]1Cc1ccccc1 ZINC000466030881 502459892 /nfs/dbraw/zinc/45/98/92/502459892.db2.gz DESPVTYPXONRSX-UKAVVXHISA-N 2 0 372.557 3.164 20 0 FGADRP CCN(CC)C(=O)C[N@@H+]1CCCN(c2c(C)c[nH+]c3c(C)cccc32)CC1 ZINC000462489636 502461416 /nfs/dbraw/zinc/46/14/16/502461416.db2.gz YPAVPDNQEUSGQK-UHFFFAOYSA-N 2 0 368.525 3.232 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N(C)[C@H]1CC[N@H+](CC)[C@H](C)C1)CC(C)C ZINC000483716869 502473163 /nfs/dbraw/zinc/47/31/63/502473163.db2.gz UCMPHHIFPSKIIN-QYZOEREBSA-N 2 0 354.583 3.257 20 0 FGADRP C[C@H](CCNC(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1)[NH+](C)Cc1ccccc1 ZINC000473002323 502496059 /nfs/dbraw/zinc/49/60/59/502496059.db2.gz ROOUUNJFOYUDMC-QUCCMNQESA-N 2 0 372.557 3.213 20 0 FGADRP C[C@@H](CCNC(=O)N1CC[C@H]([NH+]2CCCCC2)C1)[N@H+](C)Cc1ccccc1 ZINC000473008196 502498656 /nfs/dbraw/zinc/49/86/56/502498656.db2.gz ILWVBCWLLWXCEE-FPOVZHCZSA-N 2 0 372.557 3.167 20 0 FGADRP O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@@]12CCC[C@@H]1C[NH+](Cc1ccccc1)C2 ZINC000466330476 502539138 /nfs/dbraw/zinc/53/91/38/502539138.db2.gz HFMZMZWIFUVRLA-YYTDSSBASA-N 2 0 367.537 3.032 20 0 FGADRP C[NH+](C)CCOc1ccc(CC[NH2+]Cc2ccc(Br)o2)cc1 ZINC000480355451 502545736 /nfs/dbraw/zinc/54/57/36/502545736.db2.gz MBUBHGLKYGIJND-UHFFFAOYSA-N 2 0 367.287 3.315 20 0 FGADRP C[C@@H](C[NH+]1CCCCCC1)NC(=O)Nc1cccc(OCC[NH+](C)C)c1 ZINC000480358323 502546480 /nfs/dbraw/zinc/54/64/80/502546480.db2.gz YSFDTDSJECVSKH-KRWDZBQOSA-N 2 0 362.518 3.013 20 0 FGADRP CCOCCOc1ccc(Br)cc1CN1C[C@H](C[NH3+])C[C@@H]1C ZINC000469865541 502574633 /nfs/dbraw/zinc/57/46/33/502574633.db2.gz JUNSNDFXODAACM-KBPBESRZSA-N 2 0 371.319 3.034 20 0 FGADRP Cn1cc(C[NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)c(C(F)F)n1 ZINC000462790166 502575241 /nfs/dbraw/zinc/57/52/41/502575241.db2.gz LKZXGMPGELQSAT-UHFFFAOYSA-N 2 0 364.440 3.122 20 0 FGADRP C[NH+]1CCC(C[NH2+][C@@H]2CCCc3ccc(O)cc32)(N2CCCCC2)CC1 ZINC000462810480 502583530 /nfs/dbraw/zinc/58/35/30/502583530.db2.gz CSKKCFYCDIKSMT-OAQYLSRUSA-N 2 0 357.542 3.310 20 0 FGADRP CC[NH+](CC)CCOc1ccccc1-c1noc([C@H]2C[N@H+](C)C[C@H]2C)n1 ZINC000462824292 502588638 /nfs/dbraw/zinc/58/86/38/502588638.db2.gz DTWCBUJUZPYWPK-WBVHZDCISA-N 2 0 358.486 3.122 20 0 FGADRP O[C@@]1(CN[C@@H]2CCCOc3ccc(F)cc32)CC[N@H+](Cc2ccccc2)C1 ZINC000484161108 502589556 /nfs/dbraw/zinc/58/95/56/502589556.db2.gz MOWJMUNTJYNWPC-IFMALSPDSA-N 2 0 370.468 3.266 20 0 FGADRP CC[C@H](C)[NH2+][C@@H](CNC(=O)NCc1cccc(C[NH+](C)C)c1)c1ccco1 ZINC000480595932 502614323 /nfs/dbraw/zinc/61/43/23/502614323.db2.gz PJVAWCBRZDVZFC-LPHOPBHVSA-N 2 0 372.513 3.270 20 0 FGADRP CC(C)[C@H](C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1)[NH+]1CCCCC1 ZINC000473579924 502644236 /nfs/dbraw/zinc/64/42/36/502644236.db2.gz YXGSODIUWPRUEG-BHIFYINESA-N 2 0 369.553 3.087 20 0 FGADRP CCCN(CC[NH+]1CCCC1)C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000476991429 502645121 /nfs/dbraw/zinc/64/51/21/502645121.db2.gz PYYIKPFOUCXFJJ-UHFFFAOYSA-N 2 0 372.557 3.300 20 0 FGADRP Cc1ccc(C[C@H]([NH2+]Cc2ccnc(N3CC[NH+](C)CC3)c2)C(C)C)cc1 ZINC000480698766 502645826 /nfs/dbraw/zinc/64/58/26/502645826.db2.gz OBEMJAGSCDEEPL-QFIPXVFZSA-N 2 0 366.553 3.499 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)N1CC[N@@H+](C2CCC2)C[C@H](C)C1)CC(C)C ZINC000488211524 502659305 /nfs/dbraw/zinc/65/93/05/502659305.db2.gz ANKJHTLUMFPYNI-AZUAARDMSA-N 2 0 366.594 3.259 20 0 FGADRP COC(=O)c1ccccc1CC[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000480856480 502690750 /nfs/dbraw/zinc/69/07/50/502690750.db2.gz ZLUVNDNHQCHVOK-UHFFFAOYSA-N 2 0 367.493 3.259 20 0 FGADRP C[C@H](Cn1cccn1)[NH2+]CCc1ccc(OCC[NH+]2C[C@H](C)[C@@H](C)C2)cc1 ZINC000470310751 502732426 /nfs/dbraw/zinc/73/24/26/502732426.db2.gz WIOCMFSNOVNSOX-SLFFLAALSA-N 2 0 370.541 3.071 20 0 FGADRP C[C@H]([NH2+][C@@H]1CCN(Cc2ccccc2)C[C@H]1C)C(=O)N1CCC(C)CC1 ZINC000481176087 502773302 /nfs/dbraw/zinc/77/33/02/502773302.db2.gz WYJPSJHEXLWUCQ-SVFBPWRDSA-N 2 0 357.542 3.134 20 0 FGADRP C[C@H]([NH3+])[C@@H]1CC[N@H+](CCC(=O)Nc2ccc(Oc3ccccc3)cc2)C1 ZINC000484919651 502777378 /nfs/dbraw/zinc/77/73/78/502777378.db2.gz UXMQQILCMDHHBU-DLBZAZTESA-N 2 0 353.466 3.477 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)NC1CC([NH+]2CCCCC2)C1)CC(C)C ZINC000474006968 502778312 /nfs/dbraw/zinc/77/83/12/502778312.db2.gz HRWOICSRLKDSBU-ACBHZAAOSA-N 2 0 352.567 3.059 20 0 FGADRP COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000474054717 502792134 /nfs/dbraw/zinc/79/21/34/502792134.db2.gz ODVRQDANEGTUSC-PWRODBHTSA-N 2 0 358.526 3.385 20 0 FGADRP COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+]C1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000474054709 502792543 /nfs/dbraw/zinc/79/25/43/502792543.db2.gz ODVRQDANEGTUSC-ACRUOGEOSA-N 2 0 358.526 3.385 20 0 FGADRP CC(C)[NH+](CCCNC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)C(C)C ZINC000470487086 502792670 /nfs/dbraw/zinc/79/26/70/502792670.db2.gz ONEMSDCOOQJRCB-FQEVSTJZSA-N 2 0 360.546 3.069 20 0 FGADRP O[C@]1(CNC2CC[NH+](C3CCCCC3)CC2)CC[N@H+](Cc2ccccc2)C1 ZINC000513212255 502878908 /nfs/dbraw/zinc/87/89/08/502878908.db2.gz IYKJQYOBJUXZSE-QHCPKHFHSA-N 2 0 371.569 3.010 20 0 FGADRP CC[NH+](CC)CCNC(=O)NCc1ccccc1C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000500877777 502884994 /nfs/dbraw/zinc/88/49/94/502884994.db2.gz XHVKPZGBYAYCGW-RTBURBONSA-N 2 0 374.573 3.306 20 0 FGADRP CCC[N@H+](CC)Cc1ccc(C(=O)N2CC[C@@]3(C2)CCC[NH+](C)C3)cc1 ZINC000505509655 502922076 /nfs/dbraw/zinc/92/20/76/502922076.db2.gz HCGUHINGRUUKEO-QFIPXVFZSA-N 2 0 357.542 3.476 20 0 FGADRP CCC[NH+]1CCN(c2ccccc2C[N@H+](C)C[C@@H]2CCCC[C@H]2O)CC1 ZINC000497122828 502922860 /nfs/dbraw/zinc/92/28/60/502922860.db2.gz BPXRHKQKMZVHDV-RBBKRZOGSA-N 2 0 359.558 3.202 20 0 FGADRP CC(C)N(C(=O)[C@@H](C)[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1)C(C)C ZINC000501063594 502925727 /nfs/dbraw/zinc/92/57/27/502925727.db2.gz QJSMTWRTIXTZEL-GOSISDBHSA-N 2 0 360.546 3.264 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccsc1 ZINC000501149874 502949503 /nfs/dbraw/zinc/94/95/03/502949503.db2.gz IFJZANOMJFIRAI-OKZBNKHCSA-N 2 0 364.559 3.057 20 0 FGADRP COc1ccc(C(=O)CC[NH+]2CCC(C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)cc1 ZINC000509666187 502962418 /nfs/dbraw/zinc/96/24/18/502962418.db2.gz MWGCCFUTDZQRLU-ROUUACIJSA-N 2 0 374.525 3.089 20 0 FGADRP CC[N@H+](CCNC(=O)NCC[C@H]1C[C@@H](C)[NH+](Cc2ccccc2)C1)C(C)C ZINC000509710546 502973101 /nfs/dbraw/zinc/97/31/01/502973101.db2.gz FINFHZIXKMGYJR-CTNGQTDRSA-N 2 0 374.573 3.317 20 0 FGADRP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H](c3ccc(F)cn3)C(C)C)cn2)CC1 ZINC000497533097 502981372 /nfs/dbraw/zinc/98/13/72/502981372.db2.gz ACWUZDXOJYZIKH-OAQYLSRUSA-N 2 0 371.504 3.245 20 0 FGADRP CC[C@H](CNC(=O)N(CC[NH+](C)C)CC(C)C)[N@@H+]1CCc2ccccc2C1 ZINC000501377856 502996886 /nfs/dbraw/zinc/99/68/86/502996886.db2.gz SHNCEIHZFONPQS-OAQYLSRUSA-N 2 0 374.573 3.053 20 0 FGADRP CCC[NH+]1CCC(NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000489613659 502998832 /nfs/dbraw/zinc/99/88/32/502998832.db2.gz TVZKXLMJAALQSQ-NQIIRXRSSA-N 2 0 372.557 3.071 20 0 FGADRP CC(C)Cc1ccc([C@@H](CNC(=O)N[C@H]2CC[N@@H+](C3CC3)C2)[NH+](C)C)cc1 ZINC000497608299 502999321 /nfs/dbraw/zinc/99/93/21/502999321.db2.gz DCMXNMGWGNUQAX-PZJWPPBQSA-N 2 0 372.557 3.024 20 0 FGADRP C[C@@H]1C[C@@H](NC(=O)N2C[C@@H](C)[N@H+](Cc3ccccc3)C[C@@H]2C)c2nccn21 ZINC000582649145 506346249 /nfs/dbraw/zinc/34/62/49/506346249.db2.gz LZSJRSWUICRABX-VXIBKDFQSA-N 2 0 367.497 3.193 20 0 FGADRP C[C@H](CNC(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1)[NH+]1CCCC[C@H]1C ZINC000501488889 503019491 /nfs/dbraw/zinc/01/94/91/503019491.db2.gz DQUQGSMNRIGWGW-IYWMVGAKSA-N 2 0 366.594 3.307 20 0 FGADRP C[C@@H](CNC(=O)NCCCC[NH+]1CCC(C)CC1)[N@@H+]1CCCC[C@H]1C ZINC000501490213 503019626 /nfs/dbraw/zinc/01/96/26/503019626.db2.gz JOAYXPKQEQRDAH-MOPGFXCFSA-N 2 0 352.567 3.061 20 0 FGADRP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)N2CCC[N@H+](CC3CCCCC3)CC2)C1 ZINC000489793516 503036191 /nfs/dbraw/zinc/03/61/91/503036191.db2.gz CUNBAJZQDVGERC-WOJBJXKFSA-N 2 0 364.578 3.157 20 0 FGADRP C[N@H+](CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)C1(C)CCCC1 ZINC000489883649 503056567 /nfs/dbraw/zinc/05/65/67/503056567.db2.gz JATNVBIDGFVSIK-UHFFFAOYSA-N 2 0 361.555 3.438 20 0 FGADRP C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000501749819 503071815 /nfs/dbraw/zinc/07/18/15/503071815.db2.gz URNOSMNBTRRIEK-IBGZPJMESA-N 2 0 365.949 3.495 20 0 FGADRP C[C@H](NC(=O)[C@H](C)[NH+]1[C@H](C)CC[C@H]1C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000497965939 503075841 /nfs/dbraw/zinc/07/58/41/503075841.db2.gz WHNHRTVTZRHJKH-XLIFZOOWSA-N 2 0 357.542 3.275 20 0 FGADRP C[NH+](C)CCCC1CC[NH+]([C@@H]2CCN(c3cccc(Cl)c3)C2=O)CC1 ZINC000501787903 503080042 /nfs/dbraw/zinc/08/00/42/503080042.db2.gz BUAUPZASDUIVNB-LJQANCHMSA-N 2 0 363.933 3.499 20 0 FGADRP CCc1ccc([C@@H](C)NC(=O)C[NH+]2CCC(CCC[NH+](C)C)CC2)cc1 ZINC000501797546 503082785 /nfs/dbraw/zinc/08/27/85/503082785.db2.gz VSTALIOMSFSXDC-GOSISDBHSA-N 2 0 359.558 3.480 20 0 FGADRP CC[NH+](CC)CCOc1ccccc1C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000514098153 503087306 /nfs/dbraw/zinc/08/73/06/503087306.db2.gz DRQKDGOYCSJGIU-HBMCJLEFSA-N 3 0 359.558 3.370 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)NCC[NH+](C)C1CCCCC1 ZINC000514145588 503098815 /nfs/dbraw/zinc/09/88/15/503098815.db2.gz OLPNOVNWIKLKAA-GOSISDBHSA-N 2 0 352.567 3.205 20 0 FGADRP CCC[C@H]([NH3+])C(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000498074467 503101317 /nfs/dbraw/zinc/10/13/17/503101317.db2.gz UDMNNHDXYNILFA-PVAVHDDUSA-N 2 0 371.447 3.332 20 0 FGADRP COc1cc(N[C@H]2CCC[N@H+](CC[C@H]3CCCC[NH+]3C)C2)cc(OC)c1 ZINC000490067716 503102544 /nfs/dbraw/zinc/10/25/44/503102544.db2.gz PIHGZFBDOVNIPS-PKOBYXMFSA-N 2 0 361.530 3.455 20 0 FGADRP CCC[NH+]1CCC(NC(=O)N[C@H](C)[C@H](c2ccccc2C)[NH+](C)C)CC1 ZINC000498106057 503107732 /nfs/dbraw/zinc/10/77/32/503107732.db2.gz FEDYYRNGGRDAER-YLJYHZDGSA-N 2 0 360.546 3.160 20 0 FGADRP c1cc(C[N@@H+]2CCO[C@@H]3CCC[C@@H]32)ccc1C[NH+]1CCO[C@H]2CCC[C@H]21 ZINC000514193701 503109760 /nfs/dbraw/zinc/10/97/60/503109760.db2.gz GYIBUZSNDBSMOR-ZDNVTZCJSA-N 2 0 356.510 3.193 20 0 FGADRP C[C@H](CNC(=O)N[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1)[NH+]1CCC[C@@H](C)C1 ZINC000514211017 503113752 /nfs/dbraw/zinc/11/37/52/503113752.db2.gz MMUVGUGMTVQMHX-BNDYYXHWSA-N 2 0 372.557 3.242 20 0 FGADRP C[C@@H](NC(=O)NCC1(C[NH+](C)C)CCCC1)[C@@H](c1ccccc1)[NH+](C)C ZINC000501955585 503116087 /nfs/dbraw/zinc/11/60/87/503116087.db2.gz JIBLPFODSNIMQQ-MJGOQNOKSA-N 2 0 360.546 3.099 20 0 FGADRP Cc1ccc([C@H](CNC(=O)NC[C@@H](C)[N@@H+]2CCC[C@H](C)C2)[NH+](C)C)cc1 ZINC000514229970 503119322 /nfs/dbraw/zinc/11/93/22/503119322.db2.gz VKIDVHYLXBTBRM-NSHGMRRFSA-N 2 0 360.546 3.017 20 0 FGADRP CC[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000502030969 503129911 /nfs/dbraw/zinc/12/99/11/503129911.db2.gz IGUNVUUIYOVTDW-QHAWAJNXSA-N 2 0 357.542 3.442 20 0 FGADRP CC[N@@H+]1C[C@H](C)N(C(=O)NC2CC[NH+]([C@@H](C)c3ccccc3)CC2)C[C@@H]1C ZINC000498239157 503139867 /nfs/dbraw/zinc/13/98/67/503139867.db2.gz LVDHJRDIWLEEFS-FHWLQOOXSA-N 2 0 372.557 3.336 20 0 FGADRP C[C@H](NC(=O)NCC1([NH+](C)C)CCCCC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000510551425 503142549 /nfs/dbraw/zinc/14/25/49/503142549.db2.gz UIGREECTKPXOGV-ROUUACIJSA-N 2 0 364.578 3.203 20 0 FGADRP C[C@@H](NC(=O)NCC1([NH+](C)C)CCCCC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000510551423 503142708 /nfs/dbraw/zinc/14/27/08/503142708.db2.gz UIGREECTKPXOGV-QZTJIDSGSA-N 2 0 364.578 3.203 20 0 FGADRP C[C@H](CCc1c(F)cccc1F)[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000510716877 503177979 /nfs/dbraw/zinc/17/79/79/503177979.db2.gz GBVXFTJTIGXONS-CVEARBPZSA-N 2 0 352.469 3.376 20 0 FGADRP CC[C@H](C)[NH2+][C@H](CNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1ccco1 ZINC000498414390 503182936 /nfs/dbraw/zinc/18/29/36/503182936.db2.gz PHJKYHAKCNKFSS-XWDNEUNKSA-N 2 0 362.518 3.023 20 0 FGADRP CC[NH+](CC)CC1CC[NH+](Cc2c(OC)cc(OC)cc2OC)CC1 ZINC000506881207 503188782 /nfs/dbraw/zinc/18/87/82/503188782.db2.gz MXBQVFSNAIFURR-UHFFFAOYSA-N 2 0 350.503 3.266 20 0 FGADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)Cc1csc2ccccc12 ZINC000502584557 503232008 /nfs/dbraw/zinc/23/20/08/503232008.db2.gz HYVXLNGYTOYVLQ-UHFFFAOYSA-N 2 0 361.555 3.176 20 0 FGADRP CC1CC[NH+](CCNC(=O)NC2CCC([NH+]3CCC(C)CC3)CC2)CC1 ZINC000502611315 503238465 /nfs/dbraw/zinc/23/84/65/503238465.db2.gz HVYIBBDTFJCGKO-UHFFFAOYSA-N 2 0 364.578 3.061 20 0 FGADRP C[C@H](CCNC(=O)N1CC[C@@H]([NH+]2CCCC2)[C@@H]1C)[N@H+](C)Cc1ccccc1 ZINC000498725843 503249499 /nfs/dbraw/zinc/24/94/99/503249499.db2.gz AMGKSGKQJOJNCE-SVFBPWRDSA-N 2 0 372.557 3.165 20 0 FGADRP Cn1c(=O)oc2cc(C[NH2+]C[C@H]3CCCN(C)[C@@H]3c3cccs3)ccc21 ZINC000511242053 503285532 /nfs/dbraw/zinc/28/55/32/503285532.db2.gz LSYWVJIGNJCCSZ-BEFAXECRSA-N 2 0 371.506 3.366 20 0 FGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+][C@H](C)[C@H]2CCCOC2)CC1 ZINC000507498173 503309362 /nfs/dbraw/zinc/30/93/62/503309362.db2.gz USSFBRYANMXMEF-SQNIBIBYSA-N 2 0 363.521 3.433 20 0 FGADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)NCC[N@@H+]1CCC[C@H](C)C1)c1ccccc1 ZINC000502943022 503312076 /nfs/dbraw/zinc/31/20/76/503312076.db2.gz YJORUQUKKHVRPM-ZWKOTPCHSA-N 2 0 360.546 3.147 20 0 FGADRP COCCC[C@@H](C)[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000515353070 503322317 /nfs/dbraw/zinc/32/23/17/503322317.db2.gz ACWAOZIYSWXJPY-CTNGQTDRSA-N 2 0 360.542 3.320 20 0 FGADRP CN(CCC(=O)NC[C@H](C[NH+](C)C)c1ccc(Cl)cc1)c1cc[nH+]cc1 ZINC000515417601 503334790 /nfs/dbraw/zinc/33/47/90/503334790.db2.gz ZLVOIZDSJRFCQL-QGZVFWFLSA-N 2 0 374.916 3.023 20 0 FGADRP CC[C@H](C)[NH2+][C@@H](CNC(=O)NCC(C)(C)C[NH+]1CCCC1)c1ccco1 ZINC000503109555 503348490 /nfs/dbraw/zinc/34/84/90/503348490.db2.gz JSKRRMXLOLLKEJ-IRXDYDNUSA-N 2 0 364.534 3.130 20 0 FGADRP Fc1cccc(-c2noc([C@@H]3CCC[N@H+](CC[C@@H]4CCC[NH2+]C4)C3)n2)c1 ZINC000515623097 503376121 /nfs/dbraw/zinc/37/61/21/503376121.db2.gz WRPDZOVSCUCPPS-DOTOQJQBSA-N 2 0 358.461 3.445 20 0 FGADRP CC[NH+]1CCN(Cc2ccc(NC(=O)[C@H](C)[NH+]3[C@@H](C)CC[C@@H]3C)cc2)CC1 ZINC000507958114 503403935 /nfs/dbraw/zinc/40/39/35/503403935.db2.gz VCSUZIXYEAGLMG-FHWLQOOXSA-N 2 0 372.557 3.024 20 0 FGADRP Cc1cc([C@@H](C)[NH2+][C@@H](C)CCN2CC[NH+](C)CC2)sc1Br ZINC000511976617 503426942 /nfs/dbraw/zinc/42/69/42/503426942.db2.gz BSNUJEVZKXXDRJ-UONOGXRCSA-N 2 0 374.392 3.496 20 0 FGADRP CC(C)(C)NC(=O)C[NH+]1CCC(C[NH2+]Cc2ccc3occc3c2)CC1 ZINC000511997073 503431783 /nfs/dbraw/zinc/43/17/83/503431783.db2.gz OLYLYLDQKADAEL-UHFFFAOYSA-N 2 0 357.498 3.149 20 0 FGADRP CCc1ccc(C[NH2+][C@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)cn1 ZINC000512006158 503432707 /nfs/dbraw/zinc/43/27/07/503432707.db2.gz FZJCQHIZMDZAEJ-MRXNPFEDSA-N 2 0 356.489 3.386 20 0 FGADRP C[C@H]1CN(C2CC2)C[C@@H]1[NH2+]Cc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000493668195 503438081 /nfs/dbraw/zinc/43/80/81/503438081.db2.gz CDSMFNPVDDDJQV-JTSKRJEESA-N 2 0 353.510 3.484 20 0 FGADRP CO[C@@H](c1ccccc1)[C@H](C)[NH2+]Cc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000493734313 503442757 /nfs/dbraw/zinc/44/27/57/503442757.db2.gz FBMCRURXXHYDIJ-WMZHIEFXSA-N 2 0 367.537 3.300 20 0 FGADRP CN(C)Cc1cnc(CNCCOc2ncc(Cl)cc2Cl)s1 ZINC000512054515 503444871 /nfs/dbraw/zinc/44/48/71/503444871.db2.gz VPWIXKWHWCFVAI-UHFFFAOYSA-N 2 0 361.298 3.075 20 0 FGADRP C[NH+](C)CCOc1cccc(C[NH2+]C2CC(OCc3ccccc3)C2)c1 ZINC000493904842 503456004 /nfs/dbraw/zinc/45/60/04/503456004.db2.gz FMBMKJTZMCCJSL-UHFFFAOYSA-N 2 0 354.494 3.464 20 0 FGADRP c1cc2cc(C[NH2+]CCCN3CCN(c4cc[nH+]cc4)CC3)ccc2o1 ZINC000512135796 503466534 /nfs/dbraw/zinc/46/65/34/503466534.db2.gz OVLSGQDEOALALJ-UHFFFAOYSA-N 2 0 350.466 3.130 20 0 FGADRP CC[N@H+](CC(=O)NC1CC[NH+](CC)CC1)Cc1ccc2ccccc2c1 ZINC000516307993 503490977 /nfs/dbraw/zinc/49/09/77/503490977.db2.gz YYTQRJFKVLRJSJ-UHFFFAOYSA-N 2 0 353.510 3.262 20 0 FGADRP CCCCCNC(=O)[C@H](C)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000512235126 503493687 /nfs/dbraw/zinc/49/36/87/503493687.db2.gz ACSILUWIJDDJNP-SIKLNZKXSA-N 2 0 357.542 3.279 20 0 FGADRP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000516328654 503495341 /nfs/dbraw/zinc/49/53/41/503495341.db2.gz AXFHDHJBLCNJQH-HLAWJBBLSA-N 2 0 370.541 3.092 20 0 FGADRP COc1ccc(NC(=O)CC[N@H+](C)CCC[NH+]2CCCC2)cc1Cl ZINC000499915361 503510064 /nfs/dbraw/zinc/51/00/64/503510064.db2.gz YEQZVPBHNQJOPW-UHFFFAOYSA-N 2 0 353.894 3.095 20 0 FGADRP CCc1ccc([C@@H](CNC(=O)NC2CC[NH+](CC(C)C)CC2)[NH+](C)C)cc1 ZINC000504036922 503513416 /nfs/dbraw/zinc/51/34/16/503513416.db2.gz OYSDWTZBZGLTOD-OAQYLSRUSA-N 2 0 374.573 3.271 20 0 FGADRP C[C@@H]1C[C@@H](CC[NH2+][C@H](C(N)=O)c2ccccc2)C[N@@H+]1Cc1ccccc1 ZINC000512331698 503522362 /nfs/dbraw/zinc/52/23/62/503522362.db2.gz PFXUPIDZVHCJSU-QFUCXCTJSA-N 2 0 351.494 3.103 20 0 FGADRP COc1ccccc1[C@@H](CNC(=O)Nc1ccnc(C)c1)[NH+]1CCCCC1 ZINC000504150576 503530957 /nfs/dbraw/zinc/53/09/57/503530957.db2.gz ZSAFEMFZPJDUED-LJQANCHMSA-N 2 0 368.481 3.169 20 0 FGADRP CC[C@@H](C(=O)Nc1cccc(N2CC[NH+](C(C)C)CC2)c1)[NH+](CC)CC ZINC000504199428 503537920 /nfs/dbraw/zinc/53/79/20/503537920.db2.gz OECHIOJAFBQPIG-FQEVSTJZSA-N 2 0 360.546 3.276 20 0 FGADRP CN1CCN(c2cc[nH+]cc2NC(=O)c2cc3c(s2)CCCC3)CC1 ZINC000516625099 503553847 /nfs/dbraw/zinc/55/38/47/503553847.db2.gz ZUWPCMGDSMGOGN-UHFFFAOYSA-N 2 0 356.495 3.026 20 0 FGADRP Cc1cc(C)cc([C@H](C)NC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)c1 ZINC000504378540 503565508 /nfs/dbraw/zinc/56/55/08/503565508.db2.gz OXWFXUPEZDYOHG-IBGZPJMESA-N 2 0 362.562 3.279 20 0 FGADRP c1nc(-c2ccncc2)sc1C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000512481619 503566404 /nfs/dbraw/zinc/56/64/04/503566404.db2.gz WBICCMQYJPDFIN-UHFFFAOYSA-N 2 0 372.538 3.139 20 0 FGADRP CCCN(CCC[NH+](C)C)C(=O)N[C@H](C)[C@@H](c1ccccc1C)[NH+](C)C ZINC000508845837 503575891 /nfs/dbraw/zinc/57/58/91/503575891.db2.gz KVOWCAVPSNNDPS-QUCCMNQESA-N 2 0 362.562 3.360 20 0 FGADRP C[C@H](NC(=O)NCCC[NH2+]C1CCCCC1)[C@H](c1ccccc1)[NH+](C)C ZINC000508851445 503577245 /nfs/dbraw/zinc/57/72/45/503577245.db2.gz HHODYFOYFUMZDW-FXAWDEMLSA-N 2 0 360.546 3.289 20 0 FGADRP C[NH+](C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)CC[C@H]1CCC[NH2+]1 ZINC000494662118 503587125 /nfs/dbraw/zinc/58/71/25/503587125.db2.gz ANKNNDQEHSGVBD-QGZVFWFLSA-N 2 0 371.447 3.128 20 0 FGADRP C[NH+](C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)CC[C@H]1CCC[NH2+]1 ZINC000494670527 503588357 /nfs/dbraw/zinc/58/83/57/503588357.db2.gz ZFGAUPYLXONORC-QGZVFWFLSA-N 2 0 371.447 3.128 20 0 FGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+][C@@H]2CN(C3CC3)C[C@@H]2C)CC1 ZINC000494668153 503588821 /nfs/dbraw/zinc/58/88/21/503588821.db2.gz WBCLBFWPNQRJDG-XGHQBKJUSA-N 2 0 374.548 3.101 20 0 FGADRP C[C@H](NC(=O)N(CC[NH+](C)C)Cc1ccco1)[C@@H](c1ccccc1)[NH+](C)C ZINC000508903905 503596533 /nfs/dbraw/zinc/59/65/33/503596533.db2.gz YLCOEMFMUWUQDP-PXNSSMCTSA-N 2 0 372.513 3.044 20 0 FGADRP C[C@H](CNC(=O)C1CC[NH+](Cc2ccccc2)CC1)[N@@H+]1CCC[C@H](C)C1 ZINC000516845116 503598401 /nfs/dbraw/zinc/59/84/01/503598401.db2.gz HXZWZRULYHDNTP-RBUKOAKNSA-N 2 0 357.542 3.135 20 0 FGADRP CC1CC[NH+](Cc2ccccc2CNC(=O)N2CCC[C@@H](CC[NH3+])C2)CC1 ZINC000516856788 503601694 /nfs/dbraw/zinc/60/16/94/503601694.db2.gz KOCYDXVKCZWKPW-IBGZPJMESA-N 2 0 372.557 3.189 20 0 FGADRP COCc1ccccc1/C=C(\C)C[NH2+]C(C)(C)CCN1CC[NH+](C)CC1 ZINC000512644774 503602612 /nfs/dbraw/zinc/60/26/12/503602612.db2.gz UWGSAQXZGRTZIT-KNTRCKAVSA-N 2 0 359.558 3.242 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)c1ccccc1CC[NH3+] ZINC000516874399 503605926 /nfs/dbraw/zinc/60/59/26/503605926.db2.gz FJTXSZLYMPNPCA-GOSISDBHSA-N 2 0 365.521 3.492 20 0 FGADRP C[NH+](C)CCCC1CC[NH+](CCCN2CCN(c3ccccc3)CC2)CC1 ZINC000508977976 503611233 /nfs/dbraw/zinc/61/12/33/503611233.db2.gz OPTSGPAWBYLWMO-UHFFFAOYSA-N 2 0 372.601 3.253 20 0 FGADRP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2C[NH2+][C@H]2CCC(=O)NC2(C)C)C1 ZINC000494891643 503631165 /nfs/dbraw/zinc/63/11/65/503631165.db2.gz IMZSVMGGROOMTI-HLIPFELVSA-N 2 0 357.542 3.311 20 0 FGADRP [NH3+][C@@H]1CCC[C@H](NCc2ccc(Cl)cc2I)C1 ZINC000516980991 503637540 /nfs/dbraw/zinc/63/75/40/503637540.db2.gz HDYLRXVKUCVNPT-NEPJUHHUSA-N 2 0 364.658 3.304 20 0 FGADRP CCN(CC[NH+]1CCCCCC1)C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000500541733 503644406 /nfs/dbraw/zinc/64/44/06/503644406.db2.gz WVFDZNWWCUSRTA-SFTDATJTSA-N 2 0 372.557 3.339 20 0 FGADRP CCn1ccnc1CN(C(=O)CC1=CCCCC1)[C@H]1CC12CC[NH2+]CC2 ZINC000517165968 503660021 /nfs/dbraw/zinc/66/00/21/503660021.db2.gz SMKOVJSUNKRQQS-SFHVURJKSA-N 2 0 356.514 3.264 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C/C=C\c1ccccc1F ZINC000495117931 503674341 /nfs/dbraw/zinc/67/43/41/503674341.db2.gz GTADMUMFTPUELV-JNLAIUADSA-N 2 0 361.505 3.104 20 0 FGADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC000495122869 503675171 /nfs/dbraw/zinc/67/51/71/503675171.db2.gz TVWFJJOFKDFMLT-ICSRJNTNSA-N 2 0 357.542 3.450 20 0 FGADRP Cc1nc(NC2CC[NH+](C(C)C)CC2)cc(NC2CC[NH+](C(C)C)CC2)[nH+]1 ZINC000533100727 503731573 /nfs/dbraw/zinc/73/15/73/503731573.db2.gz SBAZXTZOMJQZBR-UHFFFAOYSA-N 3 0 374.577 3.354 20 0 FGADRP C[C@@H]([NH2+]CCc1ccc(OCC[NH+](C)C)cc1)c1nc2ccccc2n1C ZINC000540301281 503732136 /nfs/dbraw/zinc/73/21/36/503732136.db2.gz GQCTZTUFOVNYFT-QGZVFWFLSA-N 2 0 366.509 3.407 20 0 FGADRP CC[NH+](CC)C[C@H](C)NC(=O)NC[C@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000517576321 503775836 /nfs/dbraw/zinc/77/58/36/503775836.db2.gz KEMUOGYGVJGOGV-PKOBYXMFSA-N 2 0 352.567 3.061 20 0 FGADRP C[NH+]1CCN(C[C@@H]([NH2+]CCCCOc2ccccc2)c2ccccc2)CC1 ZINC000527366357 503779208 /nfs/dbraw/zinc/77/92/08/503779208.db2.gz JHBPJPMSVQZKAS-HSZRJFAPSA-N 2 0 367.537 3.424 20 0 FGADRP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@@H+](C(C)C)C3CCC3)CC2)cc1 ZINC000537252468 503857811 /nfs/dbraw/zinc/85/78/11/503857811.db2.gz FXNWDVIJTOJLPF-UHFFFAOYSA-N 2 0 357.542 3.292 20 0 FGADRP C[NH+](C)C1(CNC(=O)N2CCC[C@H]2C[NH+]2CCCCC2)CCCCCC1 ZINC000517887629 503858549 /nfs/dbraw/zinc/85/85/49/503858549.db2.gz SYQCRXXXUWKBCW-IBGZPJMESA-N 2 0 364.578 3.301 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1)CC(C)C ZINC000517913527 503865956 /nfs/dbraw/zinc/86/59/56/503865956.db2.gz KMRUTNPTJUXPNP-MOPGFXCFSA-N 2 0 354.583 3.163 20 0 FGADRP CC(C)[C@H](CNC(=O)N1CCC[C@@H]1C[NH+]1CCCC1)[NH+]1CCC(C)CC1 ZINC000517917093 503867038 /nfs/dbraw/zinc/86/70/38/503867038.db2.gz RZJRLUUMWPFMOP-UXHICEINSA-N 2 0 364.578 3.013 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)N2CCC[C@H]2C[NH+]2CCCC2)C1 ZINC000517916867 503867503 /nfs/dbraw/zinc/86/75/03/503867503.db2.gz MXVNEXRVTHZNPW-ZCNNSNEGSA-N 2 0 364.578 3.014 20 0 FGADRP C[C@]1(C[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)COc2ccccc2O1 ZINC000530212946 503879911 /nfs/dbraw/zinc/87/99/11/503879911.db2.gz SCHCBTDVUFXJTE-BULFRSBZSA-N 2 0 366.461 3.062 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1)c1ccccc1 ZINC000518011104 503888680 /nfs/dbraw/zinc/88/86/80/503888680.db2.gz DOOCZCUSAHKDQU-PZJWPPBQSA-N 2 0 372.557 3.386 20 0 FGADRP Cc1oc(-c2ccccc2)nc1C[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530242489 503890419 /nfs/dbraw/zinc/89/04/19/503890419.db2.gz TWWRLJOZYMQPPE-IBGZPJMESA-N 2 0 355.482 3.241 20 0 FGADRP CC[C@@H]([NH2+][C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C)c1ccccc1 ZINC000540788798 503892958 /nfs/dbraw/zinc/89/29/58/503892958.db2.gz LSXJJUTWDTYOST-RTWAWAEBSA-N 2 0 353.510 3.016 20 0 FGADRP CCC[N@H+](C)CC(=O)NC[C@@H](c1ccccc1)N1CCc2sccc2C1 ZINC000518052039 503898702 /nfs/dbraw/zinc/89/87/02/503898702.db2.gz YYEMIWFKTOGODF-IBGZPJMESA-N 2 0 371.550 3.306 20 0 FGADRP COc1ccc(NC(=O)[C@H](c2ccccc2)[N@@H+]2CCC[C@H](CC[NH3+])C2)cc1 ZINC000518187939 503924389 /nfs/dbraw/zinc/92/43/89/503924389.db2.gz PYCOJKOQUOPXJO-UTKZUKDTSA-N 2 0 367.493 3.436 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)CCN(C)c1cc[nH+]cc1)c1ccsc1 ZINC000540928768 503942395 /nfs/dbraw/zinc/94/23/95/503942395.db2.gz WZPYSASXMPCMPQ-SFHVURJKSA-N 2 0 360.527 3.169 20 0 FGADRP CN(CCC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1)c1cc[nH+]cc1 ZINC000540927294 503942448 /nfs/dbraw/zinc/94/24/48/503942448.db2.gz UTOOIOINVFAXRA-LJQANCHMSA-N 2 0 358.530 3.023 20 0 FGADRP COc1ccc(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)c(Cl)c1 ZINC000537621125 503978056 /nfs/dbraw/zinc/97/80/56/503978056.db2.gz XARQWTPLPMZMEZ-UHFFFAOYSA-N 2 0 352.906 3.425 20 0 FGADRP CC[N@H+](CCNC(=O)[C@@H](C)[NH+]1CCC(Cc2ccccc2)CC1)C(C)C ZINC000518456840 503990208 /nfs/dbraw/zinc/99/02/08/503990208.db2.gz BMSYYXWUJZBMCD-LJQANCHMSA-N 2 0 359.558 3.176 20 0 FGADRP C[C@H]([NH2+]C[C@H](n1cccn1)C(F)(F)F)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000527941409 504008312 /nfs/dbraw/zinc/00/83/12/504008312.db2.gz YVQOBGHOLOQULL-JQHSSLGASA-N 2 0 366.431 3.487 20 0 FGADRP COC(=O)c1ccccc1C[NH+]1CCC(CC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000544144320 504026952 /nfs/dbraw/zinc/02/69/52/504026952.db2.gz RJEPWTLQBVPOIM-ROUUACIJSA-N 2 0 374.525 3.185 20 0 FGADRP CC[N@H+](CCNC(=O)N[C@@H]1CCN(C)[C@@H]1c1ccc(Cl)cc1)C(C)C ZINC000534055225 504027258 /nfs/dbraw/zinc/02/72/58/504027258.db2.gz HWQDGNZBWKIYIW-QZTJIDSGSA-N 2 0 366.937 3.115 20 0 FGADRP Cc1ccccc1[C@H](NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)C(C)(C)C ZINC000530713468 504062033 /nfs/dbraw/zinc/06/20/33/504062033.db2.gz BAKQOZLXXLDWAN-IBGZPJMESA-N 2 0 362.562 3.217 20 0 FGADRP CC(C)C[C@@H](C)[NH2+][C@@H](C)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000537949247 504092589 /nfs/dbraw/zinc/09/25/89/504092589.db2.gz XSRYYXLVHPAEJB-SJORKVTESA-N 2 0 369.575 3.002 20 0 FGADRP C[C@@H](CCN1C(=O)c2ccccc2C1=O)[NH2+]CCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000547421165 504098037 /nfs/dbraw/zinc/09/80/37/504098037.db2.gz XWFXWINOUKONOM-KURKYZTESA-N 2 0 371.525 3.019 20 0 FGADRP COc1ccccc1[C@@H](CO)[NH2+][C@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000537982090 504101774 /nfs/dbraw/zinc/10/17/74/504101774.db2.gz JXOAFEYXHACWAG-OXQOHEQNSA-N 2 0 358.482 3.020 20 0 FGADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2ccc(SC)c(OC)c2)C1 ZINC000530867080 504113297 /nfs/dbraw/zinc/11/32/97/504113297.db2.gz SRPBNJPEZCKBKY-QGZVFWFLSA-N 2 0 352.544 3.350 20 0 FGADRP C[C@@H]1C[C@@H]([NH2+]CCCN2CCN(c3cc[nH+]cc3)CC2)c2ccccc21 ZINC000519026181 504121359 /nfs/dbraw/zinc/12/13/59/504121359.db2.gz FZKCUALMEMTLQZ-XMSQKQJNSA-N 2 0 350.510 3.432 20 0 FGADRP CC(C[NH+]1CC[C@H](C2CCOCC2)C1)C[N@@H+]1CC[C@H](C2CCOCC2)C1 ZINC000534380916 504125656 /nfs/dbraw/zinc/12/56/56/504125656.db2.gz UKDUIEPIPNKAEV-VXKWHMMOSA-N 2 0 364.574 3.120 20 0 FGADRP CC[NH+](CC)C[C@@H](C)NC(=O)NCc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000519078356 504134101 /nfs/dbraw/zinc/13/41/01/504134101.db2.gz OMJVULDRONTKNV-RBUKOAKNSA-N 2 0 374.573 3.448 20 0 FGADRP Cc1ccccc1C[NH+]1CCC(NC(=O)NCC[N@@H+](C)C2CCCC2)CC1 ZINC000519145576 504149943 /nfs/dbraw/zinc/14/99/43/504149943.db2.gz VFWIDTPRIGKPLZ-UHFFFAOYSA-N 2 0 372.557 3.133 20 0 FGADRP CN(C)CC[NH+]1CCC(C[NH2+][C@@H]2CCCOc3cc(Cl)ccc32)CC1 ZINC000538216272 504165752 /nfs/dbraw/zinc/16/57/52/504165752.db2.gz QDDVUKYVENSDRW-LJQANCHMSA-N 2 0 365.949 3.417 20 0 FGADRP Cc1cc(N2CCC(C)(C[NH+]3CCN(C)CC3)CC2)c2ccccc2[nH+]1 ZINC000541621995 504202757 /nfs/dbraw/zinc/20/27/57/504202757.db2.gz QIXNFWYXTMYMGC-UHFFFAOYSA-N 2 0 352.526 3.397 20 0 FGADRP CC[NH+](CC)Cc1ccc(CNC(=O)N2CC[C@H]([NH+]3CCCCC3)C2)cc1 ZINC000519370627 504204372 /nfs/dbraw/zinc/20/43/72/504204372.db2.gz NDDBGZLSRHPWGS-NRFANRHFSA-N 2 0 372.557 3.298 20 0 FGADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)CC[NH+](C)C1CCCCC1 ZINC000547737333 504204786 /nfs/dbraw/zinc/20/47/86/504204786.db2.gz KVWXMXHCQHWVRT-RXVVDRJESA-N 2 0 357.542 3.278 20 0 FGADRP CC[C@@H]1CN(C(=O)NC[C@@H]2CC[NH+](C(C)C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000544683969 504216783 /nfs/dbraw/zinc/21/67/83/504216783.db2.gz ZEDLDVNYCWXDGQ-LEWJYISDSA-N 2 0 372.557 3.023 20 0 FGADRP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+][C@@H]2CCOC3(CCOCC3)C2)CC1 ZINC000519443227 504221993 /nfs/dbraw/zinc/22/19/93/504221993.db2.gz IAZFRTLVBWJQET-MISYRCLQSA-N 2 0 350.547 3.347 20 0 FGADRP C[C@@H](CC[NH+](C)C)NC(=O)NCc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000519452996 504224256 /nfs/dbraw/zinc/22/42/56/504224256.db2.gz RVFFFJJVOSJDSJ-OTWHNJEPSA-N 2 0 374.573 3.304 20 0 FGADRP CCO[C@@H]1C[C@@H]([NH2+][C@H](CN2CC[NH+](C)CC2)c2ccccc2)C12CCCC2 ZINC000538396727 504233786 /nfs/dbraw/zinc/23/37/86/504233786.db2.gz WMIUVPFFARCVFG-YPAWHYETSA-N 2 0 371.569 3.303 20 0 FGADRP CCO[C@@H]1C[C@H]([NH2+][C@@H](CN2CC[NH+](C)CC2)c2ccccc2)C12CCCC2 ZINC000538396726 504234102 /nfs/dbraw/zinc/23/41/02/504234102.db2.gz WMIUVPFFARCVFG-FDFHNCONSA-N 2 0 371.569 3.303 20 0 FGADRP O=C([C@@H]1CCCC[N@@H+]1Cc1ccccc1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000531292717 504253982 /nfs/dbraw/zinc/25/39/82/504253982.db2.gz DIWOOGMLVGKFQF-RTWAWAEBSA-N 2 0 355.526 3.128 20 0 FGADRP NC(=O)[C@H](Cc1ccccc1)[NH2+]Cc1ccccc1C[NH+]1CCCCCC1 ZINC000541801838 504259642 /nfs/dbraw/zinc/25/96/42/504259642.db2.gz GOXSEGZAADOHSJ-QFIPXVFZSA-N 2 0 365.521 3.249 20 0 FGADRP C[C@@H]([NH2+][C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C)c1ccccc1Cl ZINC000538586833 504294902 /nfs/dbraw/zinc/29/49/02/504294902.db2.gz GRNJUMYYLHPLBV-UZLBHIALSA-N 2 0 373.928 3.280 20 0 FGADRP O=C(c1ccncc1)N1CCC([NH2+]C2CC[NH+](C3CCCCC3)CC2)CC1 ZINC000541910820 504300121 /nfs/dbraw/zinc/30/01/21/504300121.db2.gz YTAOBCJCQZLISU-UHFFFAOYSA-N 2 0 370.541 3.073 20 0 FGADRP C[NH+]1CCC([C@H]2CCN(C(=O)[C@@H]3CCCC[N@@H+]3Cc3ccccc3)C2)CC1 ZINC000535146449 504355351 /nfs/dbraw/zinc/35/53/51/504355351.db2.gz DFHJIVMKFZLRIA-VXKWHMMOSA-N 2 0 369.553 3.231 20 0 FGADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2c[nH]nc2-c2ccc(OC)cc2)C1 ZINC000538749765 504357178 /nfs/dbraw/zinc/35/71/78/504357178.db2.gz FCWZAUUOKCEISX-HXUWFJFHSA-N 2 0 372.513 3.018 20 0 FGADRP CCOC(=O)COc1ccc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000538799706 504375625 /nfs/dbraw/zinc/37/56/25/504375625.db2.gz SGLWFMDNCQAKDE-NQIIRXRSSA-N 2 0 372.509 3.077 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)NC[C@@H](C)C[NH+]1CCCCC1)c1ccco1 ZINC000520067714 504407187 /nfs/dbraw/zinc/40/71/87/504407187.db2.gz CZUCFFUWJUHLEE-QZTJIDSGSA-N 2 0 364.534 3.084 20 0 FGADRP C[N@H+](CCC(=O)Nc1ccc(CN2CC[NH+](C)CC2)cc1)C1CCCCC1 ZINC000548389262 504426603 /nfs/dbraw/zinc/42/66/03/504426603.db2.gz YZGJSNWMHRLSPT-UHFFFAOYSA-N 2 0 372.557 3.027 20 0 FGADRP C[C@@H](CNC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1)[NH+]1CCCC[C@H]1C ZINC000520178252 504427440 /nfs/dbraw/zinc/42/74/40/504427440.db2.gz WTDLZVWEZHXCTQ-SVFBPWRDSA-N 2 0 357.542 3.278 20 0 FGADRP Cc1ccncc1[C@@H](C)[NH2+]CCCN1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000538985333 504440233 /nfs/dbraw/zinc/44/02/33/504440233.db2.gz GQEUCKGRGZRWCE-KNQAVFIVSA-N 2 0 352.526 3.419 20 0 FGADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1sccc1Br ZINC000545311235 504440251 /nfs/dbraw/zinc/44/02/51/504440251.db2.gz KSAXHIXLQAFOBR-OLZOCXBDSA-N 2 0 360.365 3.187 20 0 FGADRP COc1ccc(C[NH+](C)C)cc1NC(=O)NC[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000528904048 504442609 /nfs/dbraw/zinc/44/26/09/504442609.db2.gz HGCUEEYLTMTGAO-GOSISDBHSA-N 2 0 374.529 3.285 20 0 FGADRP C[C@H]([NH2+]CCC(=O)NCc1ccccc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000548483288 504461133 /nfs/dbraw/zinc/46/11/33/504461133.db2.gz WAGWAPPDUDMGKI-UGKGYDQZSA-N 2 0 365.521 3.193 20 0 FGADRP CC(C)[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000539072142 504464544 /nfs/dbraw/zinc/46/45/44/504464544.db2.gz MOMZADKXXHYXJB-LEWJYISDSA-N 2 0 357.542 3.427 20 0 FGADRP Fc1ccc(N2CC[NH+](CCNc3cc[nH+]c4ccccc34)CC2)cc1 ZINC000520321719 504465083 /nfs/dbraw/zinc/46/50/83/504465083.db2.gz CZUOEBPRSACQGV-UHFFFAOYSA-N 2 0 350.441 3.030 20 0 FGADRP CN(C)c1cc[nH+]cc1C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000545379463 504466458 /nfs/dbraw/zinc/46/64/58/504466458.db2.gz QEUGSDPEYJCTKI-UHFFFAOYSA-N 2 0 366.509 3.454 20 0 FGADRP CC(C)[C@@H](C[NH2+][C@@H]1CCCOc2cc(Cl)ccc21)N1CC[NH+](C)CC1 ZINC000539307882 504525066 /nfs/dbraw/zinc/52/50/66/504525066.db2.gz DIHJNNQTNBIANW-RTBURBONSA-N 2 0 365.949 3.415 20 0 FGADRP CC1CC[NH+]([C@H](CNC(=O)C23CCC[NH+]2CCC3)c2cccs2)CC1 ZINC000548735558 504546082 /nfs/dbraw/zinc/54/60/82/504546082.db2.gz FERLYENMJMZIBO-QGZVFWFLSA-N 2 0 361.555 3.266 20 0 FGADRP C[N@H+](CCNC(=O)c1ccc(C[NH+]2CCCC2)cc1)Cc1ccccc1 ZINC000548739597 504548521 /nfs/dbraw/zinc/54/85/21/504548521.db2.gz OYVJJKSHYXMVSK-UHFFFAOYSA-N 2 0 351.494 3.144 20 0 FGADRP CCc1[nH+]c2ccccc2c(NC2CC[NH+](C[C@H]3CCOC3)CC2)c1C ZINC000548791430 504569307 /nfs/dbraw/zinc/56/93/07/504569307.db2.gz PCJVYLRENWOJRU-QGZVFWFLSA-N 2 0 353.510 3.440 20 0 FGADRP CC[NH+](CC)CC1CC[NH+]([C@@H](C)C(=O)N[C@H](C)c2ccc(F)cc2)CC1 ZINC000520792562 504582722 /nfs/dbraw/zinc/58/27/22/504582722.db2.gz ZWHYOXSXCNCUIT-SJORKVTESA-N 2 0 363.521 3.445 20 0 FGADRP C[C@@H]([NH2+]C1(CNC(=O)NCC2=CC[N@H+](C)CC2)CCCC1)c1ccccc1 ZINC000539475456 504583762 /nfs/dbraw/zinc/58/37/62/504583762.db2.gz QBZDSYLCZINEKZ-GOSISDBHSA-N 2 0 370.541 3.211 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)NCCC[N@@H+]1CCCC[C@@H]1C)c1ccco1 ZINC000520892815 504604889 /nfs/dbraw/zinc/60/48/89/504604889.db2.gz OIDVQGCRFAFZQG-ROUUACIJSA-N 2 0 364.534 3.226 20 0 FGADRP C[N@@H+]1CCN(CCC[NH2+]Cc2ccc(F)c(F)c2)[C@@H](c2ccccc2)C1 ZINC000520951867 504615433 /nfs/dbraw/zinc/61/54/33/504615433.db2.gz QGYUVUXQTVIFKJ-OAQYLSRUSA-N 2 0 359.464 3.433 20 0 FGADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000521001669 504627335 /nfs/dbraw/zinc/62/73/35/504627335.db2.gz IFPRFIHQLZRTNN-MOPGFXCFSA-N 2 0 357.542 3.135 20 0 FGADRP CC1CC[NH+](CC(=O)NCc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)CC1 ZINC000532388121 504632796 /nfs/dbraw/zinc/63/27/96/504632796.db2.gz ILSKEVQUYZEXEB-IBGZPJMESA-N 2 0 357.542 3.267 20 0 FGADRP CN(CCC[NH+]1CCCC1)C(=O)[C@@H]1CCCCN1Cc1ccc(F)cc1 ZINC000545986411 504665907 /nfs/dbraw/zinc/66/59/07/504665907.db2.gz HSZKVRLNZCIGHL-FQEVSTJZSA-N 2 0 361.505 3.125 20 0 FGADRP C[NH+](C)CCOCC[NH2+][C@@H]1CCCCc2cc(Br)ccc21 ZINC000549222557 504728512 /nfs/dbraw/zinc/72/85/12/504728512.db2.gz OGMGDOKLRUXOKY-QGZVFWFLSA-N 2 0 355.320 3.384 20 0 FGADRP C[C@@H](C[C@H]1CCCO1)[NH2+]Cc1c(Cl)cccc1N1CC[NH+](C)CC1 ZINC000539949759 504746269 /nfs/dbraw/zinc/74/62/69/504746269.db2.gz FOONXULFNFWOET-JKSUJKDBSA-N 2 0 351.922 3.139 20 0 FGADRP C[C@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)[C@@H]1C[C@H]1c1ccccc1 ZINC000521582591 504760130 /nfs/dbraw/zinc/76/01/30/504760130.db2.gz PDAAMUUOWWOFEU-HSQYWUDLSA-N 2 0 365.521 3.260 20 0 FGADRP CC(C)[NH+]1CCN(c2cccc(NC(=O)C[C@H](C)[C@H]3CCC[NH2+]C3)c2)CC1 ZINC000521620167 504764984 /nfs/dbraw/zinc/76/49/84/504764984.db2.gz JNROYVTZDLPIQK-OALUTQOASA-N 2 0 372.557 3.181 20 0 FGADRP C[NH2+]CCc1ccccc1C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000565027747 504774958 /nfs/dbraw/zinc/77/49/58/504774958.db2.gz ACCDGWGAVJGGOK-UHFFFAOYSA-N 2 0 371.550 3.152 20 0 FGADRP C[NH2+]CCc1ccccc1C(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000565040651 504779093 /nfs/dbraw/zinc/77/90/93/504779093.db2.gz NTCQYCPZMHBTHO-IBGZPJMESA-N 2 0 359.901 3.135 20 0 FGADRP c1ccc(C[NH2+][C@H]2CCO[C@H]2C2CC2)c(C[NH2+][C@@H]2CCO[C@@H]2C2CC2)c1 ZINC000562361190 504795213 /nfs/dbraw/zinc/79/52/13/504795213.db2.gz AEUHSEMAWQSJBM-COPRSSIGSA-N 2 0 356.510 3.001 20 0 FGADRP C[C@H]1C[N@H+](CCOc2ccc(CC[NH2+][C@H]3CCOC3(C)C)cc2)C[C@H]1C ZINC000556117412 504799731 /nfs/dbraw/zinc/79/97/31/504799731.db2.gz BKRNXZQDKFJEHR-UEXGIBASSA-N 2 0 360.542 3.353 20 0 FGADRP COc1ccccc1[C@H](CNC(=O)CC[N@@H+]1CCCC[C@@H]1C)[NH+]1CCCC1 ZINC000559261216 504812940 /nfs/dbraw/zinc/81/29/40/504812940.db2.gz LBINZIZOJDNPIU-ICSRJNTNSA-N 2 0 373.541 3.213 20 0 FGADRP CC[NH+](CC)CCOc1ccc(C(=O)N2C[C@@H]([NH+]3CCCC3)C[C@H]2C)cc1 ZINC000553098844 504827283 /nfs/dbraw/zinc/82/72/83/504827283.db2.gz ZKGDNFDWWBLOBC-QUCCMNQESA-N 2 0 373.541 3.106 20 0 FGADRP C[NH+](C)[C@@H](CNC(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1)c1cccc(F)c1 ZINC000553177553 504846124 /nfs/dbraw/zinc/84/61/24/504846124.db2.gz HARPZSBQVMBYIY-FPOVZHCZSA-N 2 0 369.484 3.067 20 0 FGADRP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2cccc(I)c2)C1 ZINC000556387863 504861410 /nfs/dbraw/zinc/86/14/10/504861410.db2.gz VQGHWWZZWPRIAP-CQSZACIVSA-N 2 0 358.267 3.113 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)CC1 ZINC000565366314 504866271 /nfs/dbraw/zinc/86/62/71/504866271.db2.gz ARXIQYQRZYBOOC-PMXSJFBMSA-N 2 0 361.574 3.410 20 0 FGADRP Cc1cc(Sc2ccccc2)ccc1NC(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000565410182 504879666 /nfs/dbraw/zinc/87/96/66/504879666.db2.gz YSMNHLCFSSLBPV-MRXNPFEDSA-N 2 0 370.522 3.253 20 0 FGADRP CC[C@@H](C(=O)N1CCC([NH+]2CCCCC2)CC1)[N@H+](C)Cc1ccccc1 ZINC000549749751 504887208 /nfs/dbraw/zinc/88/72/08/504887208.db2.gz HRXNNEVVFXJWMP-NRFANRHFSA-N 2 0 357.542 3.374 20 0 FGADRP C[NH+](C)CCOc1cccc(CNC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)c1 ZINC000549774781 504894413 /nfs/dbraw/zinc/89/44/13/504894413.db2.gz NEABJQALKDALKC-NRFANRHFSA-N 2 0 373.541 3.040 20 0 FGADRP COc1cccc([C@@H]2[C@H](c3ccccc3)CC[N@@H+]2CCN2CC[NH2+]CC2)c1 ZINC000565481332 504900912 /nfs/dbraw/zinc/90/09/12/504900912.db2.gz UKRWKQQSIWLPHR-XZOQPEGZSA-N 2 0 365.521 3.131 20 0 FGADRP CCC(C)(C)[NH2+][C@H](C)C(=O)NC[C@@H](c1ccc(OC(C)C)cc1)[NH+](C)C ZINC000565559708 504922902 /nfs/dbraw/zinc/92/29/02/504922902.db2.gz RRIJSDSNQPVBDI-APWZRJJASA-N 2 0 363.546 3.359 20 0 FGADRP C[NH+]1CCC2(CC1)C[C@H]([NH2+]CCCCn1ccnc1)c1ccccc1O2 ZINC000565575660 504926354 /nfs/dbraw/zinc/92/63/54/504926354.db2.gz XYKMIWVRHIOZMV-IBGZPJMESA-N 2 0 354.498 3.241 20 0 FGADRP O=C(NCc1ccc(C[NH+]2CCCC2)cc1)Nc1ccc2c(c1)C[NH2+]C2 ZINC000562772725 504940568 /nfs/dbraw/zinc/94/05/68/504940568.db2.gz XNTGYKLHLLCUIZ-UHFFFAOYSA-N 2 0 350.466 3.207 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H](O)Cc1ccc(F)cc1 ZINC000549938690 504940763 /nfs/dbraw/zinc/94/07/63/504940763.db2.gz FCBXQWINIHGROX-YHYVQYDKSA-N 2 0 356.485 3.229 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000565683843 504957628 /nfs/dbraw/zinc/95/76/28/504957628.db2.gz ONXZIDZQPVDZGH-GHTZIAJQSA-N 2 0 374.573 3.441 20 0 FGADRP Clc1ccc(-c2noc(CC[NH+]3CCC([C@@H]4CCC[NH2+]4)CC3)n2)cc1 ZINC000565708047 504964974 /nfs/dbraw/zinc/96/49/74/504964974.db2.gz JUWRFVSTZRADJB-KRWDZBQOSA-N 2 0 360.889 3.397 20 0 FGADRP CCN1CC[NH+](CCCC[NH2+][C@H](C)CCc2ccc(F)cc2F)CC1 ZINC000556857730 504997000 /nfs/dbraw/zinc/99/70/00/504997000.db2.gz GFILJYBNRBUNOA-QGZVFWFLSA-N 2 0 353.501 3.293 20 0 FGADRP Cc1cc(C)n(-c2ccc(CC[NH2+][C@@H]3CC[N@@H+](C)[C@H]4CCC[C@H]43)cc2)n1 ZINC000556858602 504997372 /nfs/dbraw/zinc/99/73/72/504997372.db2.gz NVNFLMGDZKTQHL-BDTNDASRSA-N 2 0 352.526 3.494 20 0 FGADRP C[C@H](C[NH2+][C@H](C)c1ccccc1-n1ccnn1)N1CCc2ccccc2C1 ZINC000556869790 505001407 /nfs/dbraw/zinc/00/14/07/505001407.db2.gz CLLOVIJSPPQXGB-QZTJIDSGSA-N 2 0 361.493 3.365 20 0 FGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@@H](C)CCc2ccc(F)cc2F)CC1 ZINC000556874005 505002014 /nfs/dbraw/zinc/00/20/14/505002014.db2.gz YPKWKQCDRNIPBF-IRXDYDNUSA-N 2 0 353.501 3.149 20 0 FGADRP C[C@@H]([NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1-n1ccnn1 ZINC000556877595 505003497 /nfs/dbraw/zinc/00/34/97/505003497.db2.gz HNROKGJRKKYUAU-UYAOXDASSA-N 2 0 361.493 3.440 20 0 FGADRP O=C(C[NH2+]Cc1cccc(OC2CCCC2)c1)NCC[NH+]1CCCCCC1 ZINC000556888926 505008138 /nfs/dbraw/zinc/00/81/38/505008138.db2.gz JTHXFAYHXCWEDE-UHFFFAOYSA-N 2 0 373.541 3.090 20 0 FGADRP C[C@H]1CCCC[N@@H+]1CCCC[NH2+]C[C@@H](O)COc1cccc2[nH]ccc21 ZINC000562988517 505012133 /nfs/dbraw/zinc/01/21/33/505012133.db2.gz PDQHHJWFAINPHD-ZWKOTPCHSA-N 2 0 359.514 3.152 20 0 FGADRP C[N@@H+]1CCC[C@H]2CN(Cc3cccc(I)c3)CC[C@H]21 ZINC000560258684 505032184 /nfs/dbraw/zinc/03/21/84/505032184.db2.gz SCRIMTQCDGNHMA-GOEBONIOSA-N 2 0 370.278 3.207 20 0 FGADRP O[C@@H](C[NH2+]C1CC[NH+](C2CCC2)CC1)Cc1ccc(C(F)(F)F)cc1 ZINC000565946627 505035072 /nfs/dbraw/zinc/03/50/72/505035072.db2.gz ZULIXPUTDRKPCR-GOSISDBHSA-N 2 0 356.432 3.215 20 0 FGADRP Cc1cc(NC(=O)C[C@H]2CCCC[C@@H]2[NH3+])ccc1OCC[NH+]1CCCC1 ZINC000563082776 505041801 /nfs/dbraw/zinc/04/18/01/505041801.db2.gz ODZFGNINHXSCPZ-MJGOQNOKSA-N 2 0 359.514 3.316 20 0 FGADRP O=C(Nc1ccc2c(c1)C[NH2+]C2)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000557050101 505053332 /nfs/dbraw/zinc/05/33/32/505053332.db2.gz GQLCERFQDAMXER-UHFFFAOYSA-N 2 0 350.466 3.076 20 0 FGADRP CC[NH+]1CCN(Cc2ccccc2C[NH2+][C@H](C)c2ccncc2F)CC1 ZINC000550621066 505074624 /nfs/dbraw/zinc/07/46/24/505074624.db2.gz AZFFHXAUBZDQGR-QGZVFWFLSA-N 2 0 356.489 3.209 20 0 FGADRP COc1nc2ccccc2cc1C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000560496588 505103846 /nfs/dbraw/zinc/10/38/46/505103846.db2.gz ASLBIXZHEVEYSE-UHFFFAOYSA-N 2 0 369.509 3.178 20 0 FGADRP CC[C@@H]([NH2+]CC1(SC)CC[NH+](C)CC1)c1ccc(C(=O)OC)cc1 ZINC000550817006 505108483 /nfs/dbraw/zinc/10/84/83/505108483.db2.gz FQWQVFURXJFEQV-QGZVFWFLSA-N 2 0 350.528 3.341 20 0 FGADRP C[N@@H+]1CC[C@H]([NH2+]C[C@H](CO)Cc2ccc(C(F)(F)F)cc2)[C@H]2CCC[C@@H]21 ZINC000560544441 505120503 /nfs/dbraw/zinc/12/05/03/505120503.db2.gz QRHPUPZTDHOHCM-YSHGAJCASA-N 2 0 370.459 3.319 20 0 FGADRP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(COC3CCOCC3)cc2)[C@@H]2CCC[C@H]21 ZINC000560544125 505120907 /nfs/dbraw/zinc/12/09/07/505120907.db2.gz FFGWZPVBLHKWSR-FDFHNCONSA-N 2 0 358.526 3.345 20 0 FGADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+]C[C@H](O)COc2ccccc2)CC1 ZINC000550893140 505121387 /nfs/dbraw/zinc/12/13/87/505121387.db2.gz VNNKNQNZPMCXQI-HRTMPFAESA-N 2 0 368.521 3.459 20 0 FGADRP O=C(NC1CC[NH+](CC2CCCC2)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000563375815 505126094 /nfs/dbraw/zinc/12/60/94/505126094.db2.gz XYGLQNLQIHKSFU-OAQYLSRUSA-N 2 0 369.553 3.279 20 0 FGADRP CC1CCC([NH+]2CCN(C(=O)c3ccc(CC[NH+](C)C)cc3)CC2)CC1 ZINC000563382944 505128389 /nfs/dbraw/zinc/12/83/89/505128389.db2.gz MDOLMGQUTVZDCM-UHFFFAOYSA-N 2 0 357.542 3.127 20 0 FGADRP CC[NH+](CC)CCOc1ccc(NC(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)cc1 ZINC000563453463 505145728 /nfs/dbraw/zinc/14/57/28/505145728.db2.gz GVYVJKQSINZXCK-NRFANRHFSA-N 2 0 374.529 3.015 20 0 FGADRP COc1cc(C[NH+]2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)cc(Cl)c1OC ZINC000563460586 505146346 /nfs/dbraw/zinc/14/63/46/505146346.db2.gz HZEAYFICOMWALL-WBVHZDCISA-N 2 0 368.905 3.076 20 0 FGADRP CC(C)[C@H](C(=O)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2)[NH+](C)C ZINC000554412853 505169489 /nfs/dbraw/zinc/16/94/89/505169489.db2.gz SVZBPXBAKTZXKP-HXUWFJFHSA-N 2 0 357.542 3.087 20 0 FGADRP C[C@H](NC(=O)NCC1([NH+](C)C)CCCCC1)[C@H](c1ccccc1)[NH+](C)C ZINC000554478589 505183147 /nfs/dbraw/zinc/18/31/47/505183147.db2.gz MGLKVFJSRQZGTA-PKOBYXMFSA-N 2 0 360.546 3.242 20 0 FGADRP Cc1ccc(CNC(=O)c2cccc(C[NH2+][C@@H]3CCC[C@@H]([NH3+])C3)c2)cc1 ZINC000566482270 505187070 /nfs/dbraw/zinc/18/70/70/505187070.db2.gz MAMAZYPHVFTJPE-NHCUHLMSSA-N 2 0 351.494 3.285 20 0 FGADRP CC[C@H](Cn1cncn1)[NH2+]Cc1ccc(C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000551270527 505190295 /nfs/dbraw/zinc/19/02/95/505190295.db2.gz OEXOOIRIDKMJIW-DBXWQHBBSA-N 2 0 355.530 3.324 20 0 FGADRP COc1ccc(C[NH+]2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)c(OC(F)F)c1 ZINC000560981421 505221945 /nfs/dbraw/zinc/22/19/45/505221945.db2.gz USMIWJKOIRVGCN-FUHWJXTLSA-N 2 0 370.440 3.015 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1ccc(SC)c(OC)c1 ZINC000563751454 505228481 /nfs/dbraw/zinc/22/84/81/505228481.db2.gz CJJQPCGHOPHDKA-GOSISDBHSA-N 2 0 365.587 3.265 20 0 FGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H]2CCCc3c4ccccc4[nH]c32)CC1 ZINC000554735211 505252571 /nfs/dbraw/zinc/25/25/71/505252571.db2.gz QFLHKLQSWQQQLG-UTKZUKDTSA-N 2 0 354.542 3.409 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1)CC(C)C ZINC000561109022 505253302 /nfs/dbraw/zinc/25/33/02/505253302.db2.gz BYJBNHVPEACTME-UXHICEINSA-N 2 0 366.594 3.403 20 0 FGADRP Cc1ccc(NC(=O)CC[NH2+]Cc2ccccc2C[NH+]2CCCC2)nc1 ZINC000566792116 505274288 /nfs/dbraw/zinc/27/42/88/505274288.db2.gz KUCBCQIUNXKDIH-UHFFFAOYSA-N 2 0 352.482 3.104 20 0 FGADRP C[C@H](NC(=O)C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1)c1cccc2ccccc21 ZINC000566797104 505274891 /nfs/dbraw/zinc/27/48/91/505274891.db2.gz VUXPNEJCZMGGNO-IHPCNDPISA-N 2 0 365.521 3.339 20 0 FGADRP C[C@H]1C[C@H]1[N@@H+]1CCN(C(=O)c2cccc(C[NH+]3CCCC3)c2)C[C@@H](C)C1 ZINC000558014073 505285790 /nfs/dbraw/zinc/28/57/90/505285790.db2.gz VBYNSCQHFRCXBW-BBTUJRGHSA-N 2 0 355.526 3.085 20 0 FGADRP C[NH2+]CCc1ccccc1C(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000563958883 505288976 /nfs/dbraw/zinc/28/89/76/505288976.db2.gz AXPWDESFWXSXHZ-UHFFFAOYSA-N 2 0 369.534 3.250 20 0 FGADRP CCN(CC[NH+]1CCCCCC1)C(=O)C1CCN(c2cc[nH+]cc2C)CC1 ZINC000558032824 505292800 /nfs/dbraw/zinc/29/28/00/505292800.db2.gz HHVCTTGYJXAAEP-UHFFFAOYSA-N 2 0 372.557 3.331 20 0 FGADRP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]C[C@H]2CCCSC2)CC1 ZINC000558118181 505312398 /nfs/dbraw/zinc/31/23/98/505312398.db2.gz KWESRBKTVUWJTL-OAHLLOKOSA-N 2 0 353.963 3.325 20 0 FGADRP CC[N@H+](C)[C@@H](C(=O)N(C)CCC[NH+](C)Cc1ccco1)c1ccccc1 ZINC000561459957 505351533 /nfs/dbraw/zinc/35/15/33/505351533.db2.gz TURUHXKOBSTQHY-HXUWFJFHSA-N 2 0 357.498 3.253 20 0 FGADRP CCCC[N@H+](C)C[C@@H](C)NC(=O)N[C@H]1CC[NH+]([C@H](C)c2ccccc2)C1 ZINC000555148158 505364075 /nfs/dbraw/zinc/36/40/75/505364075.db2.gz IKJZPPMTXQEDCY-GGPKGHCWSA-N 2 0 360.546 3.242 20 0 FGADRP COC(=O)c1cccc(C[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000558415960 505382673 /nfs/dbraw/zinc/38/26/73/505382673.db2.gz FSYVQRXQMQACKM-BHDDXSALSA-N 2 0 364.489 3.473 20 0 FGADRP C[C@@H]1[C@H](NC(=O)NCCC[NH2+]C2CCCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000561591153 505385442 /nfs/dbraw/zinc/38/54/42/505385442.db2.gz PWFDUTMMUKRAFM-WIYYLYMNSA-N 2 0 372.557 3.261 20 0 FGADRP C[C@@H]1CCC[C@](CNC(=O)N2CCC[N@@H+](C3CCCC3)CC2)([NH+](C)C)C1 ZINC000558447243 505392601 /nfs/dbraw/zinc/39/26/01/505392601.db2.gz JLMVCWWMMOUGPK-NQIIRXRSSA-N 2 0 364.578 3.157 20 0 FGADRP CCC[N@H+](CC)C[C@@H](C)NC(=O)N[C@H](C)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000567206538 505394167 /nfs/dbraw/zinc/39/41/67/505394167.db2.gz OHFQOXMKFDYCAN-SBHAEUEKSA-N 2 0 374.573 3.317 20 0 FGADRP CC[NH+]1CCN(CCC[NH2+]Cc2c(Cl)cc(Cl)cc2N(C)C)CC1 ZINC000558490927 505407124 /nfs/dbraw/zinc/40/71/24/505407124.db2.gz MFTACRXFHIQYQR-UHFFFAOYSA-N 2 0 373.372 3.177 20 0 FGADRP CCC[N@H+](CC)C[C@@H](C)NC(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000558601240 505435413 /nfs/dbraw/zinc/43/54/13/505435413.db2.gz DAAZPJDKKRATGE-QGZVFWFLSA-N 2 0 352.567 3.061 20 0 FGADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000567452941 505468119 /nfs/dbraw/zinc/46/81/19/505468119.db2.gz BCTCMNVWFCMWDC-KKSFZXQISA-N 2 0 364.493 3.322 20 0 FGADRP C[C@H](C(=O)N1CCC[C@H]1c1cccs1)N1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000555598408 505469110 /nfs/dbraw/zinc/46/91/10/505469110.db2.gz SLEMGQSMDIKFSO-FUHIMQAGSA-N 2 0 361.555 3.218 20 0 FGADRP CCc1ccc([C@H](C)NC(=O)[C@@H](C)N2CC[C@@]3(C2)CCC[N@H+](C)C3)cc1 ZINC000555598436 505469145 /nfs/dbraw/zinc/46/91/45/505469145.db2.gz UARKHYRBWWTCJB-SVMVAKDDSA-N 2 0 357.542 3.232 20 0 FGADRP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000564658519 505485484 /nfs/dbraw/zinc/48/54/84/505485484.db2.gz JXAVKHOGUGWQMP-GHTZIAJQSA-N 2 0 357.542 3.230 20 0 FGADRP COC1CCN(C2(C[NH2+][C@@H]3CCO[C@H](C(F)(F)F)C3)CCCC2)CC1 ZINC000562040311 505498785 /nfs/dbraw/zinc/49/87/85/505498785.db2.gz ZBQGHISZNVLIAM-ZBFHGGJFSA-N 2 0 364.452 3.110 20 0 FGADRP CCC[N@H+](CC)C[C@@H](C)NC(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000564764608 505512937 /nfs/dbraw/zinc/51/29/37/505512937.db2.gz PXNUADLYIXFGPH-QUCCMNQESA-N 2 0 360.546 3.243 20 0 FGADRP Cc1cc(C(C)(C)C)ccc1OC[C@H](O)C[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000564793382 505522234 /nfs/dbraw/zinc/52/22/34/505522234.db2.gz GEIRESNIVJEHBA-YLJYHZDGSA-N 2 0 360.542 3.106 20 0 FGADRP Cc1cc(C)cc(OCc2noc(C[N@H+]3CC4(C[C@H]3C)CC[NH2+]CC4)n2)c1 ZINC000564833251 505532938 /nfs/dbraw/zinc/53/29/38/505532938.db2.gz YIIIZIBHSHUCLC-QGZVFWFLSA-N 2 0 370.497 3.229 20 0 FGADRP C[C@H](C[NH2+]C[C@@H](O)CO[C@H](C)c1ccc(Cl)cc1)C[NH+]1CCCC1 ZINC000567678560 505532994 /nfs/dbraw/zinc/53/29/94/505532994.db2.gz WBURQCBQIPTJHH-GPMSIDNRSA-N 2 0 354.922 3.100 20 0 FGADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]C[C@@H](O)COc2ccccc2Cl)C1 ZINC000567688607 505537683 /nfs/dbraw/zinc/53/76/83/505537683.db2.gz USVCMMURNLCHKO-IAGOWNOFSA-N 2 0 354.922 3.037 20 0 FGADRP C[N@H+](CCN1CC[NH+](CC2Cc3ccccc3C2)CC1)Cc1ccccc1 ZINC000562207095 505540170 /nfs/dbraw/zinc/54/01/70/505540170.db2.gz UKPUQFCJLYUBRT-UHFFFAOYSA-N 2 0 363.549 3.151 20 0 FGADRP CCN1CC[C@@H]([NH2+]Cc2cnc(C)n2C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000567753948 505557120 /nfs/dbraw/zinc/55/71/20/505557120.db2.gz MJEFRDTWSMACHZ-MSOLQXFVSA-N 2 0 350.869 3.446 20 0 FGADRP CC[C@@H]1CCC[C@H]([NH2+]Cc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)C1 ZINC000608056609 506398057 /nfs/dbraw/zinc/39/80/57/506398057.db2.gz NVEJXEXHNNQQCV-QMMLZNLJSA-N 2 0 357.542 3.442 20 0 FGADRP CC[NH+](CC)CCOc1ccc(CNC(=O)c2ccc([C@@H](C)[NH3+])cc2)cc1 ZINC000582784027 506418127 /nfs/dbraw/zinc/41/81/27/506418127.db2.gz ZXPIUBADKZMZHZ-QGZVFWFLSA-N 2 0 369.509 3.357 20 0 FGADRP C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1)[NH+](C)Cc1ccccc1 ZINC000599630954 506540985 /nfs/dbraw/zinc/54/09/85/506540985.db2.gz LEUZGKVCZBGPEB-UGKGYDQZSA-N 2 0 365.521 3.288 20 0 FGADRP CC1(C)CC[N@H+](CC(=O)Nc2cccc3c2CN(c2ccccn2)C3)C1 ZINC000583272689 506689352 /nfs/dbraw/zinc/68/93/52/506689352.db2.gz SKHDYAGIJUHAAE-UHFFFAOYSA-N 2 0 350.466 3.272 20 0 FGADRP CC1CC[NH+](CCCNC(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000604081390 506707809 /nfs/dbraw/zinc/70/78/09/506707809.db2.gz QYYQHZWSIMTJAF-OAQYLSRUSA-N 2 0 372.557 3.072 20 0 FGADRP C[C@H](CNC(=O)N[C@H](C[NH+]1CCCCC1)c1ccccc1)C[NH+]1CCCC1 ZINC000604177208 506737263 /nfs/dbraw/zinc/73/72/63/506737263.db2.gz ZSGLEWRRLJZJGM-TZIWHRDSSA-N 2 0 372.557 3.245 20 0 FGADRP COC(=O)c1ccc(C[NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)cc1F ZINC000597042660 506746413 /nfs/dbraw/zinc/74/64/13/506746413.db2.gz FGUJWGCRBVXLBQ-UHFFFAOYSA-N 2 0 356.441 3.498 20 0 FGADRP C[NH+](C)CC1CCN(C(=O)N[C@@H](C[NH+]2CCCCC2)c2ccccc2)CC1 ZINC000604202775 506749726 /nfs/dbraw/zinc/74/97/26/506749726.db2.gz ZSUBYJANTPNTFW-NRFANRHFSA-N 2 0 372.557 3.197 20 0 FGADRP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)CCOCC(F)(F)F)C2)s1 ZINC000583384532 506750615 /nfs/dbraw/zinc/75/06/15/506750615.db2.gz WPRYTYJRJHSXCJ-CQSZACIVSA-N 2 0 350.450 3.389 20 0 FGADRP COC(=O)c1cc2cc(C[N@@H+]3CCCC[C@@H]3[C@@H]3C[C@H]([NH3+])CCO3)ccc2o1 ZINC000593730145 506752586 /nfs/dbraw/zinc/75/25/86/506752586.db2.gz KVQLZCCGLNVTDN-LMMKCTJWSA-N 2 0 372.465 3.080 20 0 FGADRP Cc1ccccc1C[N@H+]1CCCN(C(=O)N[C@@H](CC(C)C)C[NH+](C)C)CC1 ZINC000612847168 506778413 /nfs/dbraw/zinc/77/84/13/506778413.db2.gz GKWYXVKVKYPYAM-NRFANRHFSA-N 2 0 374.573 3.189 20 0 FGADRP O=C(CN1CC[C@]2(C1)CCC[NH2+]C2)N[C@@H](c1ccc(F)cc1)C1CCCC1 ZINC000583441281 506779934 /nfs/dbraw/zinc/77/99/34/506779934.db2.gz UYTCLMFQDDUJRR-FGZHOGPDSA-N 2 0 373.516 3.249 20 0 FGADRP CCOC(=O)c1cccc(C[NH2+]Cc2cccc(C[N@H+](C)C(C)C)c2)n1 ZINC000600130572 506793856 /nfs/dbraw/zinc/79/38/56/506793856.db2.gz PSXJZEOXSMSENF-UHFFFAOYSA-N 2 0 355.482 3.388 20 0 FGADRP COC(=O)c1ccc(C[NH2+]CC2CC[NH+](Cc3ccncc3)CC2)cc1F ZINC000597190908 506825687 /nfs/dbraw/zinc/82/56/87/506825687.db2.gz HWKWTXOSIATUGY-UHFFFAOYSA-N 2 0 371.456 3.009 20 0 FGADRP COC(=O)c1cc(CN[C@H](Cc2nccn2C)c2ccccc2)oc1C ZINC000597208732 506837265 /nfs/dbraw/zinc/83/72/65/506837265.db2.gz GNTOEJLLBZELIU-GOSISDBHSA-N 2 0 353.422 3.182 20 0 FGADRP Cc1ccc([C@H]([NH2+][C@H]2CC[C@@H](C[NH3+])C2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000583559032 506848883 /nfs/dbraw/zinc/84/88/83/506848883.db2.gz NHGKSPMAYFMSTO-PBEJRMEISA-N 2 0 372.534 3.205 20 0 FGADRP C[C@@H](NC(=O)[C@@H](C)[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)c1ccc2c(c1)CCCC2 ZINC000583565151 506851997 /nfs/dbraw/zinc/85/19/97/506851997.db2.gz SJEAYWKSAJPRDV-ZYOFANERSA-N 2 0 369.553 3.063 20 0 FGADRP COC(=O)C1(C[NH2+]C2CC[NH+]([C@@H](C)Cc3ccccc3)CC2)CCCC1 ZINC000590649123 506896089 /nfs/dbraw/zinc/89/60/89/506896089.db2.gz WILIWGQDFYSFCK-SFHVURJKSA-N 2 0 358.526 3.405 20 0 FGADRP CCCC[NH+]1CCC(NC(=O)N2CC[NH+](C3CCC(C)CC3)CC2)CC1 ZINC000604648246 506901207 /nfs/dbraw/zinc/90/12/07/506901207.db2.gz DLJRIBKGANTTSC-UHFFFAOYSA-N 2 0 364.578 3.157 20 0 FGADRP Cc1ccc([C@@H](CNC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)[NH+](C)C)cc1 ZINC000604784711 506943233 /nfs/dbraw/zinc/94/32/33/506943233.db2.gz NIHMEIQHJWQCPZ-MOPGFXCFSA-N 2 0 362.562 3.263 20 0 FGADRP CCc1ccc(CN(C)C(=O)C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)cc1 ZINC000590786558 506955033 /nfs/dbraw/zinc/95/50/33/506955033.db2.gz FLRCNLBESBLTKX-UHFFFAOYSA-N 2 0 359.558 3.260 20 0 FGADRP CCC[N@H+](C)[C@@H](CNC(=O)N(C)CCC[NH+](C)C)c1ccc(Cl)cc1 ZINC000583772022 506964561 /nfs/dbraw/zinc/96/45/61/506964561.db2.gz KEKXBSJFGVLMHR-SFHVURJKSA-N 2 0 368.953 3.316 20 0 FGADRP CC[NH+](CC)CCNC(=O)c1ccccc1OCC[N@@H+]1CCCC[C@H]1C ZINC000591096087 507112856 /nfs/dbraw/zinc/11/28/56/507112856.db2.gz PDNAOEKNLIYFRR-GOSISDBHSA-N 2 0 361.530 3.011 20 0 FGADRP CCCC[N@H+](C)CC1CC[NH+](CC(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)CC1 ZINC000613493173 507117445 /nfs/dbraw/zinc/11/74/45/507117445.db2.gz YGJAFGUAAGSOPF-QWFCFKBJSA-N 2 0 351.579 3.371 20 0 FGADRP C[C@H](CC[S@](C)=O)[NH2+][C@@H]1CCCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000584188202 507201077 /nfs/dbraw/zinc/20/10/77/507201077.db2.gz SKUJOICQCSJSII-ZBKKKRSOSA-N 2 0 362.583 3.424 20 0 FGADRP CC(C)[C@H](CNC(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1)[NH+]1CCCC1 ZINC000591558650 507292159 /nfs/dbraw/zinc/29/21/59/507292159.db2.gz XVPFFNSZPMWCRP-SFTDATJTSA-N 2 0 372.557 3.243 20 0 FGADRP C[C@H]([NH2+][C@@H]1CC12CC[NH2+]CC2)c1ccccc1I ZINC000591579395 507301692 /nfs/dbraw/zinc/30/16/92/507301692.db2.gz XJRYJAXLFPVDRQ-SMDDNHRTSA-N 2 0 356.251 3.084 20 0 FGADRP CC(C)[NH2+][C@@H]1CCCN(C(=O)NC[C@H]2CCCC[N@@H+]2Cc2ccccc2)C1 ZINC000601285230 507321951 /nfs/dbraw/zinc/32/19/51/507321951.db2.gz GRSQNMXXNDTXIW-NHCUHLMSSA-N 2 0 372.557 3.213 20 0 FGADRP C[C@H](CNC(=O)NCC[N@H+](C)C1CCCCC1)[NH+](C)Cc1ccccc1 ZINC000601296287 507326212 /nfs/dbraw/zinc/32/62/12/507326212.db2.gz IZQZKHYJTSBMRE-GOSISDBHSA-N 2 0 360.546 3.071 20 0 FGADRP C(=C/CN1CCOc2ccccc2C1)\CN1CCOc2ccccc2C1 ZINC000614026749 507337705 /nfs/dbraw/zinc/33/77/05/507337705.db2.gz ZKGUADRMJCHTKA-AATRIKPKSA-N 2 0 350.462 3.332 20 0 FGADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCC[C@@H]([NH2+]C(C)C)C2)C1 ZINC000601341167 507339060 /nfs/dbraw/zinc/33/90/60/507339060.db2.gz KPJLVBGZPWIEHO-QZTJIDSGSA-N 2 0 352.567 3.059 20 0 FGADRP CSC1(C[NH2+]CCC(=O)Nc2ccc(Cl)cc2)CC[NH+](C)CC1 ZINC000591766937 507353869 /nfs/dbraw/zinc/35/38/69/507353869.db2.gz ZVSIKANXSSVZTC-UHFFFAOYSA-N 2 0 355.935 3.086 20 0 FGADRP CC(C)OCC[C@H](O)C[NH2+][C@@H](CN1CCc2ccccc2C1)C(C)(C)C ZINC000584464588 507358945 /nfs/dbraw/zinc/35/89/45/507358945.db2.gz ANIHORVPFUBIIT-SFTDATJTSA-N 2 0 362.558 3.225 20 0 FGADRP C[C@H](OC[C@H](O)C[NH2+]CC[C@H]1CCC[N@H+](C)C1)c1ccc(Cl)cc1 ZINC000584464670 507359789 /nfs/dbraw/zinc/35/97/89/507359789.db2.gz CSXBGSNNFFSPQQ-FRQCXROJSA-N 2 0 354.922 3.100 20 0 FGADRP CC(C)OCC[C@@H](O)C[NH2+][C@H](CN1CCc2ccccc2C1)C(C)(C)C ZINC000584464586 507359807 /nfs/dbraw/zinc/35/98/07/507359807.db2.gz ANIHORVPFUBIIT-NHCUHLMSSA-N 2 0 362.558 3.225 20 0 FGADRP CN(C(=O)c1ccc(C(C)(C)C)cc1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000601472980 507369405 /nfs/dbraw/zinc/36/94/05/507369405.db2.gz BIZPDTXNBSUQLF-FQEVSTJZSA-N 2 0 357.542 3.225 20 0 FGADRP C[C@H]([NH2+]CC1CC[NH+](Cc2ccncc2)CC1)c1ccc([S@](C)=O)cc1 ZINC000595067855 507376531 /nfs/dbraw/zinc/37/65/31/507376531.db2.gz QGIQUSSIMJWXNG-QLXKLKPCSA-N 2 0 371.550 3.382 20 0 FGADRP CCC[NH2+][C@H](C)C(=O)NC[C@@H](c1ccccc1)N1CCc2sccc2C1 ZINC000584526687 507394112 /nfs/dbraw/zinc/39/41/12/507394112.db2.gz DHOBCZCGQVTPLJ-APWZRJJASA-N 2 0 371.550 3.352 20 0 FGADRP CC1CC[NH+](Cc2ccccc2CNC(=O)C[C@H]2CCCC[C@H]2[NH3+])CC1 ZINC000584528138 507395956 /nfs/dbraw/zinc/39/59/56/507395956.db2.gz BXKVUPLQIJIFNZ-WIYYLYMNSA-N 2 0 357.542 3.442 20 0 FGADRP CC(C)(C)CC[NH+]1CCN(C(=O)NCCCCC[NH+]2CCCCC2)CC1 ZINC000606705623 507489703 /nfs/dbraw/zinc/48/97/03/507489703.db2.gz FWNQFJWPXQJALU-UHFFFAOYSA-N 2 0 366.594 3.406 20 0 FGADRP CCOc1ccc(CN(CC[NH+](C)C)C[C@H]2CCC[N@@H+]2CC)cc1F ZINC000584865921 507548303 /nfs/dbraw/zinc/54/83/03/507548303.db2.gz LLQWDLCTWSQFCD-GOSISDBHSA-N 2 0 351.510 3.072 20 0 FGADRP CC[C@@H](Cc1ccccc1)C(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@@H+]1CC ZINC000602127393 507600940 /nfs/dbraw/zinc/60/09/40/507600940.db2.gz NBAKWDGGDUOPJC-LEWJYISDSA-N 2 0 359.558 3.130 20 0 FGADRP C[NH+](C)CCOc1ccc(C[NH2+][C@@H]2CC[C@H](C(=O)OC(C)(C)C)C2)cc1 ZINC000592380125 507628196 /nfs/dbraw/zinc/62/81/96/507628196.db2.gz RHUFBBCBCPZVND-ZWKOTPCHSA-N 2 0 362.514 3.227 20 0 FGADRP C[C@@H](c1nnc(-c2ccccc2)o1)[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000586767793 507665171 /nfs/dbraw/zinc/66/51/71/507665171.db2.gz UREGHUFJRRJBAY-KRWDZBQOSA-N 2 0 370.497 3.232 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C)c1cccc(OC)c1 ZINC000607279466 507675165 /nfs/dbraw/zinc/67/51/65/507675165.db2.gz XSGLFYHSSYBGTG-FUHIMQAGSA-N 2 0 361.530 3.067 20 0 FGADRP COC(=O)c1cc2cc(C[N@@H+]3CCC[C@H](C4CC[NH2+]CC4)C3)ccc2o1 ZINC000595901494 507733728 /nfs/dbraw/zinc/73/37/28/507733728.db2.gz XGAVAWMAIRMKGT-KRWDZBQOSA-N 2 0 356.466 3.431 20 0 FGADRP CC[C@@H]1CN(C(=O)NCc2ccccc2C[N@@H+]2CCC[C@H](C)C2)CC[C@H]1[NH3+] ZINC000669125149 568086027 /nfs/dbraw/zinc/08/60/27/568086027.db2.gz OSIGYYJIDVMQRW-WAOWUJCRSA-N 2 0 372.557 3.187 20 0 FGADRP Fc1ccc(-c2nn[nH]n2)cc1C[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000826373772 607750793 /nfs/dbraw/zinc/75/07/93/607750793.db2.gz YYDUNURJNDLJED-UHFFFAOYSA-N 2 0 372.492 3.094 20 0 FGADRP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+][C@H]2CCCc3cc(-c4nn[nH]n4)ccc32)C1 ZINC000824261871 608524414 /nfs/dbraw/zinc/52/44/14/608524414.db2.gz SNQSQFNPCKPVJM-JXFKEZNVSA-N 2 0 368.529 3.202 20 0 FGADRP C[C@@H]([NH2+]CCCC[NH+]1CCC(C)CC1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824955932 609327910 /nfs/dbraw/zinc/32/79/10/609327910.db2.gz PIFKHEVDHAEYKO-OAHLLOKOSA-N 2 0 360.481 3.169 20 0 FGADRP COc1cc(C[NH2+]CCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)ccc1SC ZINC000069160113 695947814 /nfs/dbraw/zinc/94/78/14/695947814.db2.gz CILXXEBAWXOXQO-IYBDPMFKSA-N 2 0 352.544 3.396 20 0 FGADRP C[C@@H]([NH2+]C[C@@H](c1cccc(Cl)c1)N1CCOCC1)C1CC[NH+](C)CC1 ZINC000089549316 700392195 /nfs/dbraw/zinc/39/21/95/700392195.db2.gz FMAYELJPEJBLLW-UZLBHIALSA-N 2 0 365.949 3.033 20 0 FGADRP C[N@@H+]1CCCN(CCC[NH2+]Cc2ccc(SC(F)(F)F)cc2)CC1 ZINC000105476713 700501251 /nfs/dbraw/zinc/50/12/51/700501251.db2.gz VTVWJCJKIRBOPS-UHFFFAOYSA-N 2 0 361.477 3.416 20 0 FGADRP C[C@H]([NH2+]Cc1ccc(CN2CC[NH+](C)CC2)cc1)c1ccnc(Cl)c1 ZINC000126711261 700751726 /nfs/dbraw/zinc/75/17/26/700751726.db2.gz ZMMFJFGZJOKVCV-INIZCTEOSA-N 2 0 358.917 3.333 20 0 FGADRP CN1CC[NH+](CCCC[NH2+][C@H]2CCc3cc(Br)ccc32)CC1 ZINC000154351128 705032110 /nfs/dbraw/zinc/03/21/10/705032110.db2.gz FHZPFGUIKPYQPE-SFHVURJKSA-N 2 0 366.347 3.054 20 0 FGADRP C[C@H]([NH2+][C@@H]1CCN(c2ccc(Br)cc2)C1)C1CC[NH+](C)CC1 ZINC000164763070 705332500 /nfs/dbraw/zinc/33/25/00/705332500.db2.gz TYJIZGMMKAOKKT-WMLDXEAASA-N 2 0 366.347 3.348 20 0 FGADRP C[C@H]([NH2+][C@H]1CCN(c2ccc(Br)cc2)C1)C1CC[NH+](C)CC1 ZINC000164763318 705332832 /nfs/dbraw/zinc/33/28/32/705332832.db2.gz TYJIZGMMKAOKKT-YOEHRIQHSA-N 2 0 366.347 3.348 20 0 FGADRP CC(C)(C)OC(=O)N1CC[C@@H](C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)C1 ZINC000172831099 705431070 /nfs/dbraw/zinc/43/10/70/705431070.db2.gz GBXKDZWRSGZRPS-ROUUACIJSA-N 2 0 351.535 3.194 20 0 FGADRP CC[NH+](CC)C[C@@H]1CC[N@H+](C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000174206639 705491239 /nfs/dbraw/zinc/49/12/39/705491239.db2.gz SLMIPTIGXPZYNJ-ROUUACIJSA-N 2 0 353.551 3.297 20 0 FGADRP CC[NH+]1CCC(CC[NH2+][C@H]2CCC[C@@H]2CNC(=O)OC(C)(C)C)CC1 ZINC000180642373 705750999 /nfs/dbraw/zinc/75/09/99/705750999.db2.gz GOBGOPMNAXIZPK-MSOLQXFVSA-N 2 0 353.551 3.391 20 0 FGADRP CC[NH+](CC)Cc1cc([C@@H](C)[NH2+]C[C@@]2(O)CCSC2)ccc1OC ZINC000183069396 705875912 /nfs/dbraw/zinc/87/59/12/705875912.db2.gz FXHPJINRHGVOOL-BEFAXECRSA-N 2 0 352.544 3.056 20 0 FGADRP CC(C)(C)OC(=O)NC[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)C1CCCC1 ZINC000193390864 712889355 /nfs/dbraw/zinc/88/93/55/712889355.db2.gz VGLOXKFBUGXBMZ-KURKYZTESA-N 2 0 351.535 3.286 20 0 FGADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@H]2CCCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000248391319 713648452 /nfs/dbraw/zinc/64/84/52/713648452.db2.gz UUICNJRUJVBGEF-ROUUACIJSA-N 2 0 353.551 3.486 20 0 FGADRP CC(C)[C@@H](CNC(=O)OC(C)(C)C)C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000305892730 713794103 /nfs/dbraw/zinc/79/41/03/713794103.db2.gz LJBAZHTVJXLLAH-CSNJMZFVSA-N 2 0 353.551 3.388 20 0 FGADRP [NH3+]C[C@]12CCC[C@H]1C[N@H+](CCC(=O)Nc1cc(Cl)ccc1Cl)C2 ZINC000391826790 713989640 /nfs/dbraw/zinc/98/96/40/713989640.db2.gz OVJQUKNMZZHNGC-SJCJKPOMSA-N 2 0 356.297 3.383 20 0 FGADRP C[C@@H]([NH2+]C[C@@H](O)COc1c(Cl)cccc1Cl)C1CC[NH+](C)CC1 ZINC000396460440 713991347 /nfs/dbraw/zinc/99/13/47/713991347.db2.gz POZHKRVGRIVAQS-TZMCWYRMSA-N 2 0 361.313 3.053 20 0 FGADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+]C[C@H](O)Cc2ccccc2C(F)(F)F)C1 ZINC000572992400 714448911 /nfs/dbraw/zinc/44/89/11/714448911.db2.gz JFGRTNDOSXVUNS-NVXWUHKLSA-N 2 0 358.448 3.319 20 0 FGADRP C[C@@H](C[NH2+]CCCC[NH+]1CCN(C)CC1)c1ccc(C(F)(F)F)cc1 ZINC000575027070 714455529 /nfs/dbraw/zinc/45/55/29/714455529.db2.gz OOCQSIGFLVOVIK-INIZCTEOSA-N 2 0 357.464 3.426 20 0 FGADRP CC(C)[N@@H+](C)C[C@H](C)NC(=O)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000643209541 718018173 /nfs/dbraw/zinc/01/81/73/718018173.db2.gz SHZGUACEDXBRRP-SFHVURJKSA-N 2 0 352.567 3.013 20 0 FGADRP O=C(CC[C@H]1CCC[NH2+]C1)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000621641157 715013765 /nfs/dbraw/zinc/01/37/65/715013765.db2.gz BJYSTJPRVDPHAS-APWZRJJASA-N 2 0 363.933 3.373 20 0 FGADRP COc1cc(Cl)ccc1[C@H](C)[NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000643346121 718025854 /nfs/dbraw/zinc/02/58/54/718025854.db2.gz AHAHSFOMKHMVRJ-HOCLYGCPSA-N 2 0 351.922 3.168 20 0 FGADRP Brc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC13CC[NH2+]CC3)CCCO2 ZINC000643535398 718038119 /nfs/dbraw/zinc/03/81/19/718038119.db2.gz LPPOWNYBQRDDIU-GDBMZVCRSA-N 2 0 351.288 3.395 20 0 FGADRP Cc1c([C@H](C)[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)nnn1-c1cccc(Cl)c1 ZINC000643548215 718038622 /nfs/dbraw/zinc/03/86/22/718038622.db2.gz TZCGFSQQOSVARI-PWXKEOIMSA-N 2 0 359.905 3.268 20 0 FGADRP C[C@@H]1C[N@@H+](CCCC[NH2+]Cc2ccsc2Br)C[C@H](C)O1 ZINC000623424953 715334070 /nfs/dbraw/zinc/33/40/70/715334070.db2.gz LZQGFEHMGVMMLF-BETUJISGSA-N 2 0 361.349 3.490 20 0 FGADRP C[N@@H+]1CC[C@H]([NH2+]C[C@H](CO)Cc2ccc(Br)cc2)CC1(C)C ZINC000623507698 715350532 /nfs/dbraw/zinc/35/05/32/715350532.db2.gz WNQIANSFEADJIK-WBVHZDCISA-N 2 0 369.347 3.063 20 0 FGADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H](C)c2cc(Br)ccc2C)CC1 ZINC000623863171 715417269 /nfs/dbraw/zinc/41/72/69/715417269.db2.gz LFSVXJMDRZJADG-JKSUJKDBSA-N 2 0 368.363 3.434 20 0 FGADRP O[C@H](C[NH2+][C@@H]1CCCC[C@H]1Sc1ccc(F)cc1)C[NH+]1CCCC1 ZINC000623872078 715420346 /nfs/dbraw/zinc/42/03/46/715420346.db2.gz VFTCGANELKEFAW-BHIYHBOVSA-N 2 0 352.519 3.275 20 0 FGADRP CCC[NH+]1CCC([NH2+]C[C@H]2CN(c3ccc(Cl)cc3)CCO2)CC1 ZINC000624119037 715476674 /nfs/dbraw/zinc/47/66/74/715476674.db2.gz VORXVUIEUGRWEG-IBGZPJMESA-N 2 0 351.922 3.009 20 0 FGADRP O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)[C@@H]1CCCN1Cc1ccc(Cl)cc1 ZINC000624255877 715500654 /nfs/dbraw/zinc/50/06/54/715500654.db2.gz WNLBGFKUWDSSGZ-QYZOEREBSA-N 2 0 361.917 3.047 20 0 FGADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1cccc(C(F)F)c1F ZINC000625541119 715748657 /nfs/dbraw/zinc/74/86/57/715748657.db2.gz UCLHPNJKRGOULN-UHFFFAOYSA-N 2 0 359.436 3.109 20 0 FGADRP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)[C@@H](C)C(=O)NCc1cccs1 ZINC000626062622 715841494 /nfs/dbraw/zinc/84/14/94/715841494.db2.gz ZIEVSAOSJQYEJK-INIZCTEOSA-N 2 0 359.539 3.337 20 0 FGADRP C[C@@H]1C[C@H](NC(=O)N[C@H](C[NH+](C)C)c2ccc(Cl)c(Cl)c2)CC[NH2+]1 ZINC000627089849 715995304 /nfs/dbraw/zinc/99/53/04/715995304.db2.gz PUSIYYFCQUVKRB-AXAPSJFSSA-N 2 0 373.328 3.036 20 0 FGADRP C[C@@H]1CC[N@H+](CC(=O)N[C@H](C[NH+](C)C)c2ccc(Cl)c(Cl)c2)C1 ZINC000628969537 716193953 /nfs/dbraw/zinc/19/39/53/716193953.db2.gz ULAFLODURHVKCH-MLGOLLRUSA-N 2 0 358.313 3.054 20 0 FGADRP CC(C)Oc1ccc(CNC[C@@H](O)C[NH+]2CCCC2)c(C(F)(F)F)c1 ZINC000629559425 716306789 /nfs/dbraw/zinc/30/67/89/716306789.db2.gz QWVRTAVCTQBAMJ-OAHLLOKOSA-N 2 0 360.420 3.039 20 0 FGADRP CC(C)[NH2+]CCCNC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000637469115 717331468 /nfs/dbraw/zinc/33/14/68/717331468.db2.gz NDFDPFAVCZMZIV-SFHVURJKSA-N 2 0 366.937 3.164 20 0 FGADRP CCO[C@H](CC[NH+](C)C)C[NH2+]Cc1nc2cc(Br)ccc2o1 ZINC000638880094 717496134 /nfs/dbraw/zinc/49/61/34/717496134.db2.gz KMDIMEVFMYOLBE-CYBMUJFWSA-N 2 0 370.291 3.037 20 0 FGADRP Fc1ccc(CN2CCC[C@H]([NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@H]4C3)C2)c(Cl)c1 ZINC000647550165 718367157 /nfs/dbraw/zinc/36/71/57/718367157.db2.gz CYHMTBGWOMDGOE-OPNNQBFTSA-N 2 0 365.924 3.421 20 0 FGADRP C[C@H](Cc1cc(Br)ccc1F)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000647794172 718377997 /nfs/dbraw/zinc/37/79/97/718377997.db2.gz SLOMZAUXWJDOCZ-UNIGVISCSA-N 2 0 355.295 3.497 20 0 FGADRP COc1cc(Br)ccc1CCC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000647793721 718378000 /nfs/dbraw/zinc/37/80/00/718378000.db2.gz GDVPHGBTOFCAQH-YQQAZPJKSA-N 2 0 367.331 3.368 20 0 FGADRP OC[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1ccc(Cl)cc1C(F)(F)F ZINC000647796483 718378153 /nfs/dbraw/zinc/37/81/53/718378153.db2.gz ATLGOSPJCZJBPA-WNCDQNTKSA-N 2 0 362.823 3.370 20 0 FGADRP Clc1ccc(-c2noc(CC[N@@H+]3CCC[C@H]([C@H]4CCC[NH2+]4)C3)n2)cc1 ZINC000647904232 718385637 /nfs/dbraw/zinc/38/56/37/718385637.db2.gz ZNLCQCCFVNAKDZ-DOTOQJQBSA-N 2 0 360.889 3.397 20 0 FGADRP CSc1ccccc1NC(=O)[C@H](C)[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647975863 718390897 /nfs/dbraw/zinc/39/08/97/718390897.db2.gz HBJYRXWCUVRSIE-BBWFWOEESA-N 2 0 361.555 3.447 20 0 FGADRP O=C(C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1)Nc1ccc(F)c(Cl)c1 ZINC000647975400 718391108 /nfs/dbraw/zinc/39/11/08/718391108.db2.gz ZVQDNPSEZJQEIL-KGLIPLIRSA-N 2 0 353.869 3.129 20 0 FGADRP C[N@@H+]1CC[C@H](CNC(=O)CCC(C)(C)[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000648161492 718402177 /nfs/dbraw/zinc/40/21/77/718402177.db2.gz CPAKHHZFZBHXEY-CXAGYDPISA-N 2 0 355.885 3.106 20 0 FGADRP C[C@@H]1C[N@@H+](CCCC[NH2+]Cc2cc3cc(Cl)cnc3o2)C[C@H](C)O1 ZINC000648437169 718426835 /nfs/dbraw/zinc/42/68/35/718426835.db2.gz QZDTVKRGPBSIAJ-OKILXGFUSA-N 2 0 351.878 3.460 20 0 FGADRP C[N@@H+]1CCCN(CCC[NH2+]Cc2cnc(-c3ccccc3F)s2)CC1 ZINC000649696360 718551897 /nfs/dbraw/zinc/55/18/97/718551897.db2.gz ZUPVFPIDRLZWPY-UHFFFAOYSA-N 2 0 362.518 3.066 20 0 FGADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@H+](Cc3cccc(OC(F)(F)F)c3)C2)C1 ZINC000650707012 718717569 /nfs/dbraw/zinc/71/75/69/718717569.db2.gz WYIDOZSKZYVYJM-UXLLHSPISA-N 2 0 358.404 3.304 20 0 FGADRP Cc1cc(Br)ccc1C[N@@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000650707345 718717660 /nfs/dbraw/zinc/71/76/60/718717660.db2.gz DATKHWKSXLSXLB-SZMVWBNQSA-N 2 0 367.331 3.476 20 0 FGADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@H+](Cc3cccc(OC(F)(F)F)c3)C2)C1 ZINC000650707010 718717670 /nfs/dbraw/zinc/71/76/70/718717670.db2.gz WYIDOZSKZYVYJM-BFYDXBDKSA-N 2 0 358.404 3.304 20 0 FGADRP Cc1cc(C[N@@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)ccc1Br ZINC000650708143 718717713 /nfs/dbraw/zinc/71/77/13/718717713.db2.gz UIKRAZRBOYEEEF-BQFCYCMXSA-N 2 0 367.331 3.476 20 0 FGADRP C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+]CCC1(C[NH3+])CC1 ZINC000650713562 718718598 /nfs/dbraw/zinc/71/85/98/718718598.db2.gz WPNFNPIGGXUUQN-GFCCVEGCSA-N 2 0 359.392 3.021 20 0 FGADRP CC[N@H+](CCCNC(=O)N(C)C[C@H]1CCC[NH+](C)C1)C1CCCCC1 ZINC000651220571 718784293 /nfs/dbraw/zinc/78/42/93/718784293.db2.gz MBCLTIJXZBLQQT-SFHVURJKSA-N 2 0 352.567 3.014 20 0 FGADRP C[C@H](c1nc(-c2cccs2)no1)[N@@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652347789 718934687 /nfs/dbraw/zinc/93/46/87/718934687.db2.gz LTCZYQFQHYVKST-LXTVHRRPSA-N 2 0 362.499 3.077 20 0 FGADRP Cc1c(Br)cccc1C[N@@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652350381 718935191 /nfs/dbraw/zinc/93/51/91/718935191.db2.gz WJFFIPBUXLUOPV-BQFCYCMXSA-N 2 0 367.331 3.476 20 0 FGADRP Cc1c(Br)cncc1C[NH2+]CCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000657368062 719634969 /nfs/dbraw/zinc/63/49/69/719634969.db2.gz UDZMLPCRLHZLFQ-KBPBESRZSA-N 2 0 370.335 3.132 20 0 FGADRP CC(C)[C@H](Cc1ccc(Br)cc1)[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000657843400 719720164 /nfs/dbraw/zinc/72/01/64/719720164.db2.gz CHWKAKMYMUIZLK-MSOLQXFVSA-N 2 0 369.347 3.063 20 0 FGADRP CC(C)[C@H]([NH3+])CCNC(=O)N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000659622767 719930008 /nfs/dbraw/zinc/93/00/08/719930008.db2.gz VFJOKSZOBNSJRV-PKOBYXMFSA-N 2 0 352.567 3.046 20 0 FGADRP CC(C)[N@H+](C)CC1CC[NH+](C[C@@H]2CCCN(C(=O)C(C)(C)C)C2)CC1 ZINC000659876352 719948754 /nfs/dbraw/zinc/94/87/54/719948754.db2.gz GPGPBKBEYKZDOX-IBGZPJMESA-N 2 0 351.579 3.323 20 0 FGADRP CC1(C)CC(NC(=O)N[C@H]2CC[N@@H+](C3CCCCC3)C2)CC(C)(C)[NH2+]1 ZINC000660284086 720024550 /nfs/dbraw/zinc/02/45/50/720024550.db2.gz STYLOFSRDBKKMN-HNNXBMFYSA-N 2 0 350.551 3.002 20 0 FGADRP Brc1ccc([C@H]2CCC[N@@H+]2C[C@H]2CCC3(C[NH2+]C3)O2)cc1 ZINC000662252792 720405427 /nfs/dbraw/zinc/40/54/27/720405427.db2.gz OXAOOBKRKAATGA-HZPDHXFCSA-N 2 0 351.288 3.107 20 0 FGADRP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](CCSc2ccc(F)cc2F)CC1 ZINC000662279726 720408957 /nfs/dbraw/zinc/40/89/57/720408957.db2.gz BLLKIJYZGGPQSM-SJLPKXTDSA-N 2 0 356.482 3.275 20 0 FGADRP C[C@@H](C(=O)NCc1ccccc1Cl)[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662290748 720410387 /nfs/dbraw/zinc/41/03/87/720410387.db2.gz JLEAKVBWOPURRC-DOTOQJQBSA-N 2 0 363.933 3.056 20 0 FGADRP CN(Cc1ccc(Cl)s1)C(=O)C[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662290631 720410475 /nfs/dbraw/zinc/41/04/75/720410475.db2.gz GSSTYYWFWVBNHU-OAHLLOKOSA-N 2 0 369.962 3.072 20 0 FGADRP C[C@H](C(=O)Nc1cc(F)ccc1F)[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662294657 720411589 /nfs/dbraw/zinc/41/15/89/720411589.db2.gz DJYTYPMIIVOOSN-UKRRQHHQSA-N 2 0 351.441 3.003 20 0 FGADRP C[C@H](C(=O)NCc1ccccc1Cl)[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662298685 720412081 /nfs/dbraw/zinc/41/20/81/720412081.db2.gz WUZRWQBVFGMARQ-CRAIPNDOSA-N 2 0 363.933 3.056 20 0 FGADRP COc1ncc(Br)cc1C[N@@H+]1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000662313401 720414254 /nfs/dbraw/zinc/41/42/54/720414254.db2.gz KXWCBVCRMYDHCO-IUODEOHRSA-N 2 0 356.308 3.192 20 0 FGADRP Cc1nc(C)c(C[NH+]2CCC(c3cc(C4CC[NH2+]CC4)[nH]n3)CC2)s1 ZINC000662327280 720415925 /nfs/dbraw/zinc/41/59/25/720415925.db2.gz LZXZEMMGIOCMSX-UHFFFAOYSA-N 2 0 359.543 3.330 20 0 FGADRP O=C(C[C@H]1[NH2+]Cc2ccccc21)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000662347174 720417570 /nfs/dbraw/zinc/41/75/70/720417570.db2.gz CYQNMIAUQGPZKK-QZTJIDSGSA-N 2 0 355.507 3.236 20 0 FGADRP O=C(Nc1cccc(C[NH+]2CCCCC2)c1)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662683774 720452448 /nfs/dbraw/zinc/45/24/48/720452448.db2.gz TUFBYTLTXRYQRV-KRWDZBQOSA-N 2 0 355.404 3.153 20 0 FGADRP Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)C[C@@H](C[NH3+])CC(C)C ZINC000662702880 720453283 /nfs/dbraw/zinc/45/32/83/720453283.db2.gz CQDRSJBUKSWTQL-KRWDZBQOSA-N 2 0 363.571 3.493 20 0 FGADRP CCN(C(=O)NC[C@@H](c1ccsc1)[NH+](CC)CC)[C@H]1CC[N@H+](CC)C1 ZINC000663620731 720530703 /nfs/dbraw/zinc/53/07/03/720530703.db2.gz RLNKEVLYQLYHQL-ROUUACIJSA-N 2 0 366.575 3.257 20 0 FGADRP Cc1c[nH+]c(N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)cc1N ZINC001164842330 720707916 /nfs/dbraw/zinc/70/79/16/720707916.db2.gz YISWPZQLVSZPJH-IBGZPJMESA-N 2 0 366.509 3.232 20 0 FGADRP CC(C)[C@H]([NH3+])CC[NH2+][C@@H](C)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000665280904 720749600 /nfs/dbraw/zinc/74/96/00/720749600.db2.gz OTJXIIHJQLGCRT-HNAYVOBHSA-N 2 0 352.544 3.427 20 0 FGADRP C[C@@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000666857784 720991446 /nfs/dbraw/zinc/99/14/46/720991446.db2.gz JGIDMUVNKMQJTH-QWHCGFSZSA-N 2 0 359.392 3.034 20 0 FGADRP C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000666954090 721005199 /nfs/dbraw/zinc/00/51/99/721005199.db2.gz PMOORBMJWGHQCM-DOMZBBRYSA-N 2 0 355.404 3.154 20 0 FGADRP Clc1ccc2cccnc2c1C[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000666978568 721008240 /nfs/dbraw/zinc/00/82/40/721008240.db2.gz RQVQBCNMVUIOSN-UHFFFAOYSA-N 2 0 358.917 3.194 20 0 FGADRP Cc1c[nH+]c(N2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)c(N)c1 ZINC001164795725 721498846 /nfs/dbraw/zinc/49/88/46/721498846.db2.gz KWYGCIIMTGFJJH-UHFFFAOYSA-N 2 0 351.498 3.248 20 0 FGADRP CC[NH+](CC)Cc1ccc(C(=O)N(CC[NH+](C)C)Cc2cccs2)o1 ZINC000674537171 721698070 /nfs/dbraw/zinc/69/80/70/721698070.db2.gz BPRSUZUZNZTNLO-UHFFFAOYSA-N 2 0 363.527 3.387 20 0 FGADRP CN(C)c1cc[nH+]c(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)c1 ZINC001165026197 721811418 /nfs/dbraw/zinc/81/14/18/721811418.db2.gz PKHYISWOWMRXEH-YYWHXJBOSA-N 2 0 365.525 3.280 20 0 FGADRP C[C@H](C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)Oc1cccc(Br)c1 ZINC000677241223 721875911 /nfs/dbraw/zinc/87/59/11/721875911.db2.gz NUFCYBLATDCCIN-BMFZPTHFSA-N 2 0 353.304 3.433 20 0 FGADRP C[NH+](C)[C@@H]1CCCN(C(F)(F)c2cnc(Cl)c(C3=CC[NH2+]CC3)c2)C1 ZINC001165037913 721899472 /nfs/dbraw/zinc/89/94/72/721899472.db2.gz NVDKZBUALKUMCM-OAHLLOKOSA-N 2 0 370.875 3.187 20 0 FGADRP C[C@H]([NH2+]C[C@H](CO)Cc1ccccc1C(F)(F)F)C1CC[NH+](C)CC1 ZINC000678600003 721966703 /nfs/dbraw/zinc/96/67/03/721966703.db2.gz HPWJFWBVAXDTLS-LSDHHAIUSA-N 2 0 358.448 3.176 20 0 FGADRP OC[C@H](C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)Cc1ccc(C(F)(F)F)cc1 ZINC000678600164 721966716 /nfs/dbraw/zinc/96/67/16/721966716.db2.gz JMUJUELSLKRDHJ-JQHSSLGASA-N 2 0 356.432 3.073 20 0 FGADRP CC[NH+]1CCC(C[NH2+][C@@H](c2ccc(Cl)cc2)[C@@H]2CN(C)CCO2)CC1 ZINC000681053651 722176832 /nfs/dbraw/zinc/17/68/32/722176832.db2.gz ZBIGAFGLGMDPCN-PMACEKPBSA-N 2 0 365.949 3.033 20 0 FGADRP C[NH+]1CCC(C)(C[NH2+]CCC2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000702597549 722410636 /nfs/dbraw/zinc/41/06/36/722410636.db2.gz HFJXJAFHCMZYNW-UHFFFAOYSA-N 2 0 353.551 3.345 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+][C@@H]1CCO[C@H](C(F)(F)F)C1 ZINC000708529234 722412837 /nfs/dbraw/zinc/41/28/37/722412837.db2.gz JPFFHGDJQJFVLQ-SPUZQDLCSA-N 2 0 356.432 3.454 20 0 FGADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@H]2C[C@H]3C[C@@H](C2)N(C(=O)OC(C)(C)C)C3)C1 ZINC000709486862 722413175 /nfs/dbraw/zinc/41/31/75/722413175.db2.gz NWJIFFHXSJMTOS-OWSLCNJRSA-N 2 0 351.535 3.096 20 0 FGADRP C[NH+](C)[C@H]1CCC[C@@H]([NH2+]CCC2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000715563866 722415968 /nfs/dbraw/zinc/41/59/68/722415968.db2.gz YIOBOJVMGIKLFX-MSOLQXFVSA-N 2 0 353.551 3.486 20 0 FGADRP Cc1cc(N[C@H]2CC[N@H+](Cc3ccc(C(F)(F)F)cc3)C2)nc(N)[nH+]1 ZINC000733993332 722503191 /nfs/dbraw/zinc/50/31/91/722503191.db2.gz MEVLNNPDGGFMKF-AWEZNQCLSA-N 2 0 351.376 3.072 20 0 FGADRP C[NH+](C)[C@H]1CCC[C@@H](NC(=O)NCCCCCCC[NH+]2CCCC2)C1 ZINC000749578488 722733429 /nfs/dbraw/zinc/73/34/29/722733429.db2.gz CKQJZQPLLJPZMD-MOPGFXCFSA-N 2 0 352.567 3.205 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)/C=C/c1ccccc1Cl ZINC000750735446 722779472 /nfs/dbraw/zinc/77/94/72/722779472.db2.gz XJUPPCCVMMIEOJ-IENJSVCTSA-N 2 0 363.933 3.228 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=S)Nc1cc(C)ccc1F ZINC000751012754 722790942 /nfs/dbraw/zinc/79/09/42/722790942.db2.gz YNYRBIRSYOLEBJ-MRXNPFEDSA-N 2 0 366.550 3.179 20 0 FGADRP C[C@H]([NH2+]CC[C@@H]1CCCC[N@@H+]1C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000754315216 722934455 /nfs/dbraw/zinc/93/44/55/722934455.db2.gz ODJAUIRIWVWGHV-BZSNNMDCSA-N 2 0 353.551 3.486 20 0 FGADRP C[C@H](CS(=O)(=O)c1ccccc1)[NH2+]C1CCC([NH+]2CCCCC2)CC1 ZINC000756644243 722968125 /nfs/dbraw/zinc/96/81/25/722968125.db2.gz ZWWIRIDHGXLIEZ-LMDPOFIKSA-N 2 0 364.555 3.236 20 0 FGADRP C[N@@H+]1CC[C@]2(CCN(Cn3c4ccccc4nc3SC(F)F)C2)C1 ZINC000793770149 723466377 /nfs/dbraw/zinc/46/63/77/723466377.db2.gz XKCUSGIBTRWALT-KRWDZBQOSA-N 2 0 352.454 3.336 20 0 FGADRP COc1c(C)cc([C@H](C)[NH2+]CCCC[NH+]2CCN(C)CC2)cc1Cl ZINC000796694832 723650506 /nfs/dbraw/zinc/65/05/06/723650506.db2.gz NPSKBCJXTDNMRC-INIZCTEOSA-N 2 0 353.938 3.335 20 0 FGADRP CC[NH+](CC)CCO[C@H]1CCN(Cn2nc(Cl)c3ccccc32)C1 ZINC000769646984 723691349 /nfs/dbraw/zinc/69/13/49/723691349.db2.gz DWUPIJNOKDZGSO-HNNXBMFYSA-N 2 0 350.894 3.080 20 0 FGADRP CCOC(=O)C(F)(F)[C@H]1CCC[C@H]([NH2+]CC2CC[NH+](C3CC3)CC2)C1 ZINC000774498214 723899757 /nfs/dbraw/zinc/89/97/57/723899757.db2.gz RRVYEEWSWDSKHE-HOTGVXAUSA-N 2 0 358.473 3.208 20 0 FGADRP C[NH+]1CCC2(CCC[N@@H+]([C@@H]3CCN(c4ccc(Cl)cc4)C3=O)C2)CC1 ZINC000799176869 723995480 /nfs/dbraw/zinc/99/54/80/723995480.db2.gz DNYRBCICAGGKPZ-GOSISDBHSA-N 2 0 361.917 3.253 20 0 FGADRP CC[N@H+](CCC1CC[NH+](C[C@H](O)c2ccc(F)cn2)CC1)CC(C)C ZINC000799311938 724004984 /nfs/dbraw/zinc/00/49/84/724004984.db2.gz JWWTWQHYPHKPLO-FQEVSTJZSA-N 2 0 351.510 3.334 20 0 FGADRP C[NH+](C)[C@H]1CCC[N@H+](CC[C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000801948999 724349672 /nfs/dbraw/zinc/34/96/72/724349672.db2.gz AKGYXAIKAKBUMM-MSOLQXFVSA-N 2 0 353.551 3.440 20 0 FGADRP Cn1nc(Br)cc1C[NH2+]C1CCC([NH+]2CCCCC2)CC1 ZINC000785483327 724915708 /nfs/dbraw/zinc/91/57/08/724915708.db2.gz UHJYYBYXSBQDJK-UHFFFAOYSA-N 2 0 355.324 3.069 20 0 FGADRP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000788525039 725070331 /nfs/dbraw/zinc/07/03/31/725070331.db2.gz AYTASEJNIOJDCF-SJORKVTESA-N 2 0 353.551 3.344 20 0 FGADRP CC[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)CC[C@@H]2C)C1 ZINC000812720102 726806576 /nfs/dbraw/zinc/80/65/76/726806576.db2.gz YSMHHPPCXGAXQY-RCCFBDPRSA-N 2 0 353.551 3.344 20 0 FGADRP CCSCC[NH2+]C1CCC([NH+]2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000812802210 726813547 /nfs/dbraw/zinc/81/35/47/726813547.db2.gz CXRVWIKKAPBGHE-UHFFFAOYSA-N 2 0 371.591 3.193 20 0 FGADRP C[N@@H+]1CCC[C@]2(CC[NH+](C[C@H](O)Cc3ccc(C(F)(F)F)cc3)C2)C1 ZINC000815145065 727045133 /nfs/dbraw/zinc/04/51/33/727045133.db2.gz VFSNRRKNOMLHQO-MSOLQXFVSA-N 2 0 356.432 3.027 20 0 FGADRP C[NH+](C)C1CCC([NH2+]Cc2nc3ccccn3c2Br)CC1 ZINC000817413960 727248853 /nfs/dbraw/zinc/24/88/53/727248853.db2.gz NOKZXXNFFDSIAL-UHFFFAOYSA-N 2 0 351.292 3.059 20 0 FGADRP O[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)c1ccc(OC(F)(F)F)cc1 ZINC000817900257 727287453 /nfs/dbraw/zinc/28/74/53/727287453.db2.gz LSNCUOIZYRWXOT-MWDXBVQZSA-N 2 0 358.404 3.129 20 0 FGADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H](C)[C@@H](O)c1c(F)cccc1Cl ZINC000817916975 727287783 /nfs/dbraw/zinc/28/77/83/727287783.db2.gz CAYCUXDNJVXZIE-KWFDTGPKSA-N 2 0 351.853 3.414 20 0 FGADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C[C@H](O)c1cccc(Br)c1 ZINC000817932761 727288402 /nfs/dbraw/zinc/28/84/02/727288402.db2.gz XYNQXEQLSDGGHK-XYPHTWIQSA-N 2 0 355.320 3.383 20 0 FGADRP CCc1ccc(C(=O)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)s1 ZINC000818014065 727292258 /nfs/dbraw/zinc/29/22/58/727292258.db2.gz NRSZLUYRMCMQQL-UHFFFAOYSA-N 2 0 357.523 3.034 20 0 FGADRP C[C@@H]1CC2(C[N@@H+]1CC(=O)Nc1ccc(SC(F)F)cc1)CC[NH2+]CC2 ZINC000818339908 727308321 /nfs/dbraw/zinc/30/83/21/727308321.db2.gz FYUBAFLMJWWVOS-CYBMUJFWSA-N 2 0 369.481 3.404 20 0 FGADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]C[C@H](O)c2ccc(OC(F)(F)F)cc2)C1 ZINC000818985709 727334804 /nfs/dbraw/zinc/33/48/04/727334804.db2.gz VDBUDTRUPLHIQU-YOEHRIQHSA-N 2 0 360.420 3.329 20 0 FGADRP CC(C)C[N@@H+]1CC[C@H](C[NH2+]C[C@H](O)c2ccccc2Br)C1 ZINC000819152582 727353100 /nfs/dbraw/zinc/35/31/00/727353100.db2.gz XFMZTLPYYUSROV-PBHICJAKSA-N 2 0 355.320 3.050 20 0 FGADRP CC(C)(C[NH2+]C[C@@H](O)c1ccc(F)c(Br)c1)C[NH+]1CCCC1 ZINC000819259723 727362169 /nfs/dbraw/zinc/36/21/69/727362169.db2.gz LTBWKJHSCUQQHG-MRXNPFEDSA-N 2 0 373.310 3.333 20 0 FGADRP C[NH+](C)C1CCC([NH2+]C[C@](C)(O)c2ccc(Br)cc2F)CC1 ZINC000819374735 727371853 /nfs/dbraw/zinc/37/18/53/727371853.db2.gz MTWVGVYSMUOIMI-KVULBXGLSA-N 2 0 373.310 3.258 20 0 FGADRP CSC1(C[NH2+][C@H]2CC[C@@H](C)N(C(=O)OC(C)(C)C)C2)CC[NH+](C)CC1 ZINC000822482175 729180112 /nfs/dbraw/zinc/18/01/12/729180112.db2.gz ZDGYITXFPKRCMA-CVEARBPZSA-N 2 0 371.591 3.191 20 0 FGADRP C[N@H+](CC[C@H]1CC1(Cl)Cl)C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000822882588 729227947 /nfs/dbraw/zinc/22/79/47/729227947.db2.gz KQTJZSBVYPHDQA-DLBZAZTESA-N 2 0 357.325 3.139 20 0 FGADRP CC(C)C[NH+]1CCC([NH2+]C[C@@H](O)c2ccccc2Br)CC1 ZINC000825343002 729379495 /nfs/dbraw/zinc/37/94/95/729379495.db2.gz HHDWAYLNLTVXPL-QGZVFWFLSA-N 2 0 355.320 3.193 20 0 FGADRP CC(C)(C)OC(=O)NCC1(C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)CC1 ZINC000827950198 729437700 /nfs/dbraw/zinc/43/77/00/729437700.db2.gz QWWDEDZTCXLUQJ-QGZVFWFLSA-N 2 0 351.535 3.003 20 0 FGADRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2cc(Cl)nc3ccccc23)CC1 ZINC000832543313 729720114 /nfs/dbraw/zinc/72/01/14/729720114.db2.gz GBSHQYNROOLAEL-UHFFFAOYSA-N 2 0 360.933 3.394 20 0 FGADRP C[C@@H]([NH2+]CCC[C@@H]1CCCN1C(=O)OC(C)(C)C)C1CC[NH+](C)CC1 ZINC000834893969 729844634 /nfs/dbraw/zinc/84/46/34/729844634.db2.gz RHHFESJBFGOVSD-SJLPKXTDSA-N 2 0 353.551 3.486 20 0 FGADRP C[C@H]([NH2+]CCC[C@H]1CCCN1C(=O)OC(C)(C)C)C1CC[NH+](C)CC1 ZINC000834893970 729844638 /nfs/dbraw/zinc/84/46/38/729844638.db2.gz RHHFESJBFGOVSD-WMZOPIPTSA-N 2 0 353.551 3.486 20 0 FGADRP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)NCCCCCCC[NH+]2CCCC2)C1 ZINC000838504390 730125206 /nfs/dbraw/zinc/12/52/06/730125206.db2.gz YMDTUOARSRWZLG-LJQANCHMSA-N 2 0 352.567 3.157 20 0 FGADRP C[NH+]1CCC(N2CCC([NH2+][C@@H]3C[C@H](OC(C)(C)C)C3(C)C)CC2)CC1 ZINC000840718853 730165723 /nfs/dbraw/zinc/16/57/23/730165723.db2.gz GMASYGMIADFQEO-MOPGFXCFSA-N 2 0 351.579 3.117 20 0 FGADRP C[C@H]([NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1)c1cccnc1Cl ZINC000840884000 730187679 /nfs/dbraw/zinc/18/76/79/730187679.db2.gz ISBUPXXFJYSYFK-INIZCTEOSA-N 2 0 359.901 3.413 20 0 FGADRP Cc1cc(Br)cn2c(C[NH2+]Cc3ccc(CC[NH3+])cc3)cnc12 ZINC000841032083 730204719 /nfs/dbraw/zinc/20/47/19/730204719.db2.gz JOBDQAJZPXHREO-UHFFFAOYSA-N 2 0 373.298 3.196 20 0 FGADRP CCOc1cc(C[NH2+]Cc2ccc(CC[NH3+])cc2)ccc1OC(F)F ZINC000841035990 730205086 /nfs/dbraw/zinc/20/50/86/730205086.db2.gz MJBCBJDPFYRJGQ-UHFFFAOYSA-N 2 0 350.409 3.478 20 0 FGADRP Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+]C1CCC([NH3+])CC1 ZINC000843103806 730585342 /nfs/dbraw/zinc/58/53/42/730585342.db2.gz DDHISZWBMDOJGE-UHFFFAOYSA-N 2 0 363.303 3.303 20 0 FGADRP Cc1ccc(S(=O)(=O)[C@H]2CCCC[C@@H]2[NH2+]CCCCCC[NH3+])cc1 ZINC000843341995 730609126 /nfs/dbraw/zinc/60/91/26/730609126.db2.gz MMHVGKUWGZSNGU-OALUTQOASA-N 2 0 352.544 3.189 20 0 FGADRP Cc1cc([C@@H]([NH3+])CC(=O)NC[C@H](C2CCCCC2)[NH+](C)C)cc(Cl)n1 ZINC000844172475 730690404 /nfs/dbraw/zinc/69/04/04/730690404.db2.gz UXIQJDAYQUOTBR-DLBZAZTESA-N 2 0 366.937 3.060 20 0 FGADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H](c1ccc(F)cc1)C1CCOCC1 ZINC000883196430 737534802 /nfs/dbraw/zinc/53/48/02/737534802.db2.gz PFHGACSMFWPIFM-VQTJNVASSA-N 2 0 352.494 3.240 20 0 FGADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]C2CC(CCNC(=O)OC(C)(C)C)C2)C1 ZINC000845934734 730910450 /nfs/dbraw/zinc/91/04/50/730910450.db2.gz DJTNNDMSDKXMGF-ADKAHSJRSA-N 2 0 353.551 3.390 20 0 FGADRP CCN1CCC([NH+]2CCC(C(=O)NCCCCCCSC)CC2)CC1 ZINC000847710852 731082394 /nfs/dbraw/zinc/08/23/94/731082394.db2.gz CXDLQFSADWUTFS-UHFFFAOYSA-N 2 0 369.619 3.222 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=[NH2+])N3CCSCC3)cc2)C1 ZINC000849062002 731225343 /nfs/dbraw/zinc/22/53/43/731225343.db2.gz AQPNBTZYIMTGBO-CALCHBBNSA-N 2 0 360.571 3.238 20 0 FGADRP CCOC(=O)NC1CCC([NH2+]CC(C)(C)[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000850427173 731355840 /nfs/dbraw/zinc/35/58/40/731355840.db2.gz OLNJSTIHZRYDBC-VYMRPNJYSA-N 2 0 353.551 3.390 20 0 FGADRP c1cc(C[NH+]2CCC(C[NH2+][C@@H]3CC[C@@H]4SCCS[C@@H]34)CC2)ccn1 ZINC000850516656 731367218 /nfs/dbraw/zinc/36/72/18/731367218.db2.gz IHXJMHZRGGTOBB-QYZOEREBSA-N 2 0 363.596 3.263 20 0 FGADRP C[NH2+]CCCC(=O)N1CCC([NH2+]Cc2ccc(SC(F)F)cc2)CC1 ZINC000853248778 731687838 /nfs/dbraw/zinc/68/78/38/731687838.db2.gz YZVUGAIYVFBYIE-UHFFFAOYSA-N 2 0 371.497 3.082 20 0 FGADRP O[C@H]1CC[N@H+](Cc2ccc(C[NH2+][C@H]3CCc4ccc(Cl)nc43)cc2)C1 ZINC000857913692 732169056 /nfs/dbraw/zinc/16/90/56/732169056.db2.gz DUNVGMFLBXCRAK-ROUUACIJSA-N 2 0 357.885 3.079 20 0 FGADRP C[C@H]1C[C@H](C)C[NH+](CCCC[NH2+]Cc2cn(C)nc2Br)C1 ZINC000858099441 732180472 /nfs/dbraw/zinc/18/04/72/732180472.db2.gz NGCAXBCVJVZFHG-KBPBESRZSA-N 2 0 357.340 3.030 20 0 FGADRP CC[C@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000858491472 732220230 /nfs/dbraw/zinc/22/02/30/732220230.db2.gz IRQHZLOKVRSARK-FGTMMUONSA-N 2 0 353.551 3.486 20 0 FGADRP CO[C@@H]1CC[N@H+](CC[Si](C)(C)CC[NH+]2CC[C@H](OC)[C@@H](C)C2)C[C@@H]1C ZINC000859324007 732310224 /nfs/dbraw/zinc/31/02/24/732310224.db2.gz GMAYZJNDKMIFNG-LWYYNNOASA-N 2 0 370.654 3.408 20 0 FGADRP C[C@H]([NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000865820239 733275916 /nfs/dbraw/zinc/27/59/16/733275916.db2.gz CEBWLRMNXCWTDO-DOTOQJQBSA-N 2 0 353.551 3.484 20 0 FGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@H](C)c2cc3c(ccnc3Cl)o2)CC1 ZINC000866260547 733330444 /nfs/dbraw/zinc/33/04/44/733330444.db2.gz VEHSMFDTGZOLCH-LSDHHAIUSA-N 2 0 364.921 3.405 20 0 FGADRP Cc1cc([C@H]([NH3+])CC(=O)N2c3ccccc3[C@H]([NH3+])C2(C)C)cc(Cl)n1 ZINC000867988503 733542960 /nfs/dbraw/zinc/54/29/60/733542960.db2.gz NEKWLPUYYJOPHS-KDOFPFPSSA-N 2 0 358.873 3.259 20 0 FGADRP C[NH+](C)C1(C)CCC(NC(=O)NCCCCC[NH+]2CCCCC2)CC1 ZINC000868238176 733574353 /nfs/dbraw/zinc/57/43/53/733574353.db2.gz MHEXARAEBMEGAR-UHFFFAOYSA-N 2 0 352.567 3.205 20 0 FGADRP CC[N@@H+]1CC[C@H]([NH2+][C@H]2C[C@H]3C[C@@H](C2)N(C(=O)OC(C)(C)C)C3)[C@H](C)C1 ZINC000872129286 735593919 /nfs/dbraw/zinc/59/39/19/735593919.db2.gz XIFZJXQONKHGAL-FPSMNIFISA-N 2 0 351.535 3.094 20 0 FGADRP CC(C)(C)S(=O)(=O)CCC[N@@H+]1CCC[C@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000872156057 735597249 /nfs/dbraw/zinc/59/72/49/735597249.db2.gz DGIIWAFZVYYKQP-SJLPKXTDSA-N 2 0 358.592 3.209 20 0 FGADRP C[NH+](C)C1(C)CCC([NH2+]C[C@H](O)c2ccc(Br)cc2)CC1 ZINC000872228547 735605688 /nfs/dbraw/zinc/60/56/88/735605688.db2.gz JNRHAXJYDZQESM-CGZBRXJRSA-N 2 0 355.320 3.335 20 0 FGADRP Cc1ccc(Br)c(F)c1C[NH2+]CCCC[NH+]1CCN(C)CC1 ZINC000873012347 735709481 /nfs/dbraw/zinc/70/94/81/735709481.db2.gz RASITVPMYIDZOZ-UHFFFAOYSA-N 2 0 372.326 3.014 20 0 FGADRP [NH3+]Cc1cn(-c2cccc(C[NH2+]Cc3ccc(C(F)(F)F)s3)c2)nn1 ZINC000873218471 735739298 /nfs/dbraw/zinc/73/92/98/735739298.db2.gz HMPNJKJKDAQAMQ-UHFFFAOYSA-N 2 0 367.400 3.096 20 0 FGADRP CCOC(=O)c1sc(C2CC[NH+](C[C@@H]3CC[NH2+][C@@H](C)C3)CC2)nc1C ZINC000873222990 735739723 /nfs/dbraw/zinc/73/97/23/735739723.db2.gz JBNXUBMLIVOLEP-DZGCQCFKSA-N 2 0 365.543 3.196 20 0 FGADRP C[C@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[NH2+]C[C@H]1C[C@H]([NH3+])C1 ZINC000873256651 735743829 /nfs/dbraw/zinc/74/38/29/735743829.db2.gz BUGGPDMNDDAVMB-GMTAPVOTSA-N 2 0 363.811 3.403 20 0 FGADRP C[C@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000873253671 735744063 /nfs/dbraw/zinc/74/40/63/735744063.db2.gz BUGGPDMNDDAVMB-MXWKQRLJSA-N 2 0 363.811 3.403 20 0 FGADRP C[C@@H]([NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2)c1ccc(Br)s1 ZINC000873290525 735747128 /nfs/dbraw/zinc/74/71/28/735747128.db2.gz RDFWQUKLSVXJPI-NEPJUHHUSA-N 2 0 359.333 3.320 20 0 FGADRP CCN(CCC[NH+]1CCCC1)C(=O)NCCC1CC[NH+](C(C)C)CC1 ZINC000876028796 736049809 /nfs/dbraw/zinc/04/98/09/736049809.db2.gz GLALDXBCEBPZGD-UHFFFAOYSA-N 2 0 352.567 3.014 20 0 FGADRP Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)/C=C/[C@@H]1CCC[NH2+]C1 ZINC000876743484 736138995 /nfs/dbraw/zinc/13/89/95/736138995.db2.gz DHVXKPKQEIIELF-OZSKJFCKSA-N 2 0 359.539 3.038 20 0 FGADRP Cc1nn(C)c2nc(Cl)c(C[NH+]3CCC4(CC[NH+](C)CC4)CC3)cc12 ZINC000877683899 736704327 /nfs/dbraw/zinc/70/43/27/736704327.db2.gz AORXIIMOFZVTPU-UHFFFAOYSA-N 2 0 361.921 3.238 20 0 FGADRP C[NH+]1CCN(C2CC[NH+](Cc3ccc(CC(F)(F)F)cc3)CC2)CC1 ZINC000877747139 736713525 /nfs/dbraw/zinc/71/35/25/736713525.db2.gz WCOOTJVNNZJYRS-UHFFFAOYSA-N 2 0 355.448 3.003 20 0 FGADRP CC(C)[C@H]([NH3+])C(C)(C)C(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000884203137 737642486 /nfs/dbraw/zinc/64/24/86/737642486.db2.gz POVKDZPZRBNOQG-WBVHZDCISA-N 2 0 351.560 3.086 20 0 FGADRP C([NH2+][C@@H]1CCOC2(CCOCC2)C1)[C@@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000885977135 739205860 /nfs/dbraw/zinc/20/58/60/739205860.db2.gz FFGZFSQWUPLCSF-UXHICEINSA-N 2 0 350.547 3.349 20 0 FGADRP CC1([NH+]2CCCC2)CCC([NH2+]Cc2cccc(CS(C)(=O)=O)c2)CC1 ZINC000886519025 739264516 /nfs/dbraw/zinc/26/45/16/739264516.db2.gz MHFOHKIOMNVREZ-UHFFFAOYSA-N 2 0 364.555 3.118 20 0 FGADRP CC[C@H]([NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2)[C@H](O)C(F)(F)F ZINC000886558490 739267082 /nfs/dbraw/zinc/26/70/82/739267082.db2.gz LSLXKAPROGDECX-ADHGMGHFSA-N 2 0 356.432 3.331 20 0 FGADRP Cc1[nH+]ccc(N2CCC(OCCC[NH+](C)C)CC2)c1Br ZINC000892816172 740047218 /nfs/dbraw/zinc/04/72/18/740047218.db2.gz QINLCGOUQVNJJE-UHFFFAOYSA-N 2 0 356.308 3.090 20 0 FGADRP CCN1CC[C@@H]([NH2+]CC2CC[NH+](C)CC2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000893499072 742163177 /nfs/dbraw/zinc/16/31/77/742163177.db2.gz QWZBYHPAKVMBON-MJGOQNOKSA-N 2 0 355.448 3.171 20 0 FGADRP C[NH+]1CCC(N2CC[C@H]([NH2+]Cc3cc4ccnc(Cl)c4s3)C2)CC1 ZINC000894253505 742258317 /nfs/dbraw/zinc/25/83/17/742258317.db2.gz CVQRZLKCPMLOKD-AWEZNQCLSA-N 2 0 364.946 3.208 20 0 FGADRP CN(CC[N@H+](C)Cc1cc2ccnc(Cl)c2s1)C1CC[NH+](C)CC1 ZINC000894767389 742330551 /nfs/dbraw/zinc/33/05/51/742330551.db2.gz XEYCNMNDAJRPCI-UHFFFAOYSA-N 2 0 366.962 3.408 20 0 FGADRP CC(=O)Nc1cc(Br)ccc1C[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000894806470 742337163 /nfs/dbraw/zinc/33/71/63/742337163.db2.gz CXEGNPDVWWKDQI-UHFFFAOYSA-N 2 0 368.319 3.372 20 0 FGADRP CCCSC[C@H](C)[NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000894936362 742354498 /nfs/dbraw/zinc/35/44/98/742354498.db2.gz GYBBMCIBKGWKFY-INIZCTEOSA-N 2 0 363.571 3.005 20 0 FGADRP COc1ccc2c(c1Cl)[C@H]([NH2+]CCCC[NH+]1CCN(C)CC1)CCC2 ZINC000903065519 743801136 /nfs/dbraw/zinc/80/11/36/743801136.db2.gz HYYLGBYKHCZGMQ-QGZVFWFLSA-N 2 0 365.949 3.343 20 0 FGADRP O[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)c1ccc(C(F)(F)F)cc1 ZINC000903169700 743816376 /nfs/dbraw/zinc/81/63/76/743816376.db2.gz DCXIOQSHXLPODD-NXCDMZCRSA-N 2 0 354.416 3.486 20 0 FGADRP FC1(F)CC[NH2+]C[C@H]1C[NH2+]C1CCN(Cc2ccccc2Cl)CC1 ZINC000903956142 743905377 /nfs/dbraw/zinc/90/53/77/743905377.db2.gz HVGBPDRERMBNRC-HNNXBMFYSA-N 2 0 357.876 3.139 20 0 FGADRP CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]([NH2+]C[C@@]3(C)CCC[NH2+]C3)CC[C@@H]2C1 ZINC000904372092 743950033 /nfs/dbraw/zinc/95/00/33/743950033.db2.gz YIDQXEBIVDIDCJ-YZLZLFLDSA-N 2 0 351.535 3.001 20 0 FGADRP Cc1sc(C[NH3+])nc1-c1nc(-c2ccc(C[NH+]3CCCC3)cc2)no1 ZINC000904526683 743959985 /nfs/dbraw/zinc/95/99/85/743959985.db2.gz FISKYJOIBFQYPZ-UHFFFAOYSA-N 2 0 355.467 3.223 20 0 FGADRP C[C@H]([NH3+])c1nc(-c2nc(-c3ccc(C[NH+]4CCCC4)cc3)no2)cs1 ZINC000904527547 743960058 /nfs/dbraw/zinc/96/00/58/743960058.db2.gz PQNHEQNUNGHMSN-LBPRGKRZSA-N 2 0 355.467 3.476 20 0 FGADRP O[C@H](C[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccc(Cl)c(Cl)c1 ZINC000905127117 743994295 /nfs/dbraw/zinc/99/42/95/743994295.db2.gz IZGCXQMVQLFMMN-SCLBCKFNSA-N 2 0 373.324 3.117 20 0 FGADRP CC(C)[C@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1cccc(Br)c1)C2 ZINC000922390074 758910648 /nfs/dbraw/zinc/91/06/48/758910648.db2.gz XEKMQWTZGUCNLP-TVFCKZIOSA-N 2 0 367.331 3.018 20 0 FGADRP Cc1nc2ccc(C[NH2+][C@@H]3C[C@]4(C[N@@H+](C)[C@H]4C(C)C)C[C@H]3O)cc2s1 ZINC000922391187 758911399 /nfs/dbraw/zinc/91/13/99/758911399.db2.gz UKDDODOEDKVHCI-IZBJGVDFSA-N 2 0 359.539 3.174 20 0 FGADRP CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1ccsc1Br)C2 ZINC000922390430 758911426 /nfs/dbraw/zinc/91/14/26/758911426.db2.gz MNIMXBDREDRJJG-NYTXWWLZSA-N 2 0 373.360 3.080 20 0 FGADRP CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]Cc3ncc(C(C)(C)C)s3)C2)[C@H]1C(C)C ZINC000922392354 758912731 /nfs/dbraw/zinc/91/27/31/758912731.db2.gz DCBKLCQZQBCAEQ-YZDADXEPSA-N 2 0 365.587 3.400 20 0 FGADRP Clc1ccc2oc(C3CC[NH+](C[C@@H]4CC5(C[NH2+]C5)CO4)CC3)nc2c1 ZINC000923323252 759100840 /nfs/dbraw/zinc/10/08/40/759100840.db2.gz VZYOJLOHLVQQOJ-HNNXBMFYSA-N 2 0 361.873 3.039 20 0 FGADRP c1csc(C[N@@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@H]2CC23CC[NH2+]CC3)n1 ZINC000923347552 759103876 /nfs/dbraw/zinc/10/38/76/759103876.db2.gz SCHFUCMXIWNOQV-FBVQUNGASA-N 3 0 360.571 3.008 20 0 FGADRP CCC[C@@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1ncccc1Cl ZINC000925038928 759435183 /nfs/dbraw/zinc/43/51/83/759435183.db2.gz HTCDVVMONRWYQI-CRAIPNDOSA-N 2 0 350.938 3.334 20 0 FGADRP C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1[NH2+][C@H]1CCN(c3ccc(Br)cc3)C1)[NH2+]2 ZINC000925476602 759494729 /nfs/dbraw/zinc/49/47/29/759494729.db2.gz HIWITYGNVXSWAA-YOQCSXPPSA-N 2 0 364.331 3.146 20 0 FGADRP [NH3+][C@@H]1C[C@@H]([NH2+][C@H]2CCN(c3ncc(C(F)(F)F)cc3Cl)C2)C12CCC2 ZINC000925553648 759503391 /nfs/dbraw/zinc/50/33/91/759503391.db2.gz UNFMLLOKJBMWFU-IACUBPJLSA-N 2 0 374.838 3.192 20 0 FGADRP [NH3+][C@@H]1C[C@H]([NH2+][C@H]2CCN(c3ncc(C(F)(F)F)cc3Cl)C2)C12CCC2 ZINC000925553653 759504041 /nfs/dbraw/zinc/50/40/41/759504041.db2.gz UNFMLLOKJBMWFU-YUTCNCBUSA-N 2 0 374.838 3.192 20 0 FGADRP [NH3+]CCC[C@@H]([NH2+][C@H]1C[C@H](S(=O)(=O)c2ccccc2)C1)c1ccccc1 ZINC000925733306 759527314 /nfs/dbraw/zinc/52/73/14/759527314.db2.gz JSXXHWJRECVFHJ-MISYRCLQSA-N 2 0 358.507 3.061 20 0 FGADRP C(C[C@H]1CCC2(CCOCC2)CO1)[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000925773666 759534755 /nfs/dbraw/zinc/53/47/55/759534755.db2.gz ODGMQVZNTKTWAM-IYWMVGAKSA-N 2 0 350.547 3.253 20 0 FGADRP C[C@H](Cc1ccc(F)cc1Br)[NH2+]C[C@@H]1C[NH2+]CCC1(F)F ZINC000925778921 759536377 /nfs/dbraw/zinc/53/63/77/759536377.db2.gz VHYYTBJARRNBGQ-PWSUYJOCSA-N 2 0 365.237 3.354 20 0 FGADRP CCS(=O)(=O)c1ccccc1CC[NH2+][C@H](CCC[NH3+])c1ccccc1 ZINC000925835987 759555171 /nfs/dbraw/zinc/55/51/71/759555171.db2.gz YMZFDFFLFGHRQY-LJQANCHMSA-N 2 0 360.523 3.093 20 0 FGADRP CSC1(C[NH2+][C@H](C)c2cccc(Br)n2)CC[NH+](C)CC1 ZINC000926448268 759754204 /nfs/dbraw/zinc/75/42/04/759754204.db2.gz MUWFFKIXBPSVQA-GFCCVEGCSA-N 2 0 358.349 3.322 20 0 FGADRP CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+][C@@H]1CCCc3c(Cl)ccnc31)C2 ZINC000926879519 759836535 /nfs/dbraw/zinc/83/65/35/759836535.db2.gz LJLXLLZRMRGDGK-RISVGRPXSA-N 2 0 363.933 3.182 20 0 FGADRP Cc1nnsc1[C@H](C)[N@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000929805985 760459807 /nfs/dbraw/zinc/45/98/07/760459807.db2.gz NKGNTAMZSHWXQF-INIZCTEOSA-N 2 0 365.591 3.036 20 0 FGADRP C[N@H+](CCCC[NH+]1CCCCC1)Cc1ccc(Br)nc1N ZINC000931704600 760934844 /nfs/dbraw/zinc/93/48/44/760934844.db2.gz WURNSUAMMUWXGZ-UHFFFAOYSA-N 2 0 355.324 3.124 20 0 FGADRP C[N@@H+]1CC[C@H](CNC(=O)CC[NH2+]C(C)(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000935145206 761801056 /nfs/dbraw/zinc/80/10/56/761801056.db2.gz BVGCUGPOWHQQBY-KDOFPFPSSA-N 2 0 369.912 3.366 20 0 FGADRP C[C@@H]1[C@H](C(=O)N2CCC([NH+](C)Cc3sccc3Cl)CC2)CC[N@@H+]1C ZINC000985441963 763931151 /nfs/dbraw/zinc/93/11/51/763931151.db2.gz NGMNYWXVDKXJQL-UKRRQHHQSA-N 2 0 369.962 3.165 20 0 FGADRP CC[C@@H]1[C@@H](C(=O)NC2CC[NH+](Cc3cc(C)sc3C)CC2)CC[N@@H+]1C ZINC001002863355 765349656 /nfs/dbraw/zinc/34/96/56/765349656.db2.gz VVFMIBAEZGEEKN-RBUKOAKNSA-N 2 0 363.571 3.176 20 0 FGADRP C[C@@H]1[C@H](C(=O)NC[C@H]2CCC[NH+](Cc3cccc(Cl)c3)C2)CC[N@@H+]1C ZINC001023380666 766036024 /nfs/dbraw/zinc/03/60/24/766036024.db2.gz DZEJWVAKBYIKCI-SZVBFZGTSA-N 2 0 363.933 3.008 20 0 FGADRP Cc1cc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)c(C)s1 ZINC001034648628 766243061 /nfs/dbraw/zinc/24/30/61/766243061.db2.gz KZSCAWVJQMBILE-UTRMSSBJSA-N 2 0 363.571 3.222 20 0 FGADRP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]2C[NH2+]Cc2sccc2Cl)CC[N@@H+]1C ZINC001045044397 766504307 /nfs/dbraw/zinc/50/43/07/766504307.db2.gz GMHWETBCWYAKJP-OFQRWUPVSA-N 2 0 369.962 3.212 20 0 FGADRP C[C@@H]1[C@H](C(=O)N[C@@H]2CCC[NH+](Cc3cccc(Cl)c3)CC2)CC[N@@H+]1C ZINC001052393857 766900454 /nfs/dbraw/zinc/90/04/54/766900454.db2.gz RTSJXRSUZSTWFV-ATZDWAIDSA-N 2 0 363.933 3.151 20 0 FGADRP CC1CC[NH+](CCCC[NH2+][C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000779020710 724381374 /nfs/dbraw/zinc/38/13/74/724381374.db2.gz WXZCQLJCJHFUEY-GOSISDBHSA-N 2 0 353.551 3.488 20 0 FGADRP Cc1[nH+]c2ccccc2c(N2CCN([C@H](C(N)=O)c3ccccc3)CC2)c1C ZINC000302075322 257383632 /nfs/dbraw/zinc/38/36/32/257383632.db2.gz ISKRQRMCWSYDGX-QFIPXVFZSA-N 2 0 374.488 3.200 20 0 FGADRP C[C@H](CCC[NH3+])[NH2+][C@@H]1CCCOc2ccc(I)cc21 ZINC000423456465 500375747 /nfs/dbraw/zinc/37/57/47/500375747.db2.gz NRAPJXKAOBCZBK-BXUZGUMPSA-N 2 0 374.266 3.222 20 0 FGADRP O=C(CC[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1)Nc1cc(F)cc(F)c1 ZINC000570955633 505619776 /nfs/dbraw/zinc/61/97/76/505619776.db2.gz UDECTPJEDKPHPR-KRWDZBQOSA-N 2 0 373.447 3.405 20 0 FGADRP N[C@@H](C(=O)N1CCC[N@H+](CC2CCCCC2)CC1)c1c(F)cccc1F ZINC000579828703 505628600 /nfs/dbraw/zinc/62/86/00/505628600.db2.gz LBBCUHOQDSBJLP-LJQANCHMSA-N 2 0 365.468 3.079 20 0 FGADRP COc1cc2c(cc1C[NH+]1CCC(CCCn3ccnc3)CC1)OCO2 ZINC000571006840 505631210 /nfs/dbraw/zinc/63/12/10/505631210.db2.gz MSOPEONJWNWIQT-UHFFFAOYSA-N 2 0 357.454 3.313 20 0 FGADRP C[C@@H]1C[NH+](CCC2CC[NH+](Cc3ccc(-c4cc[nH]n4)o3)CC2)C[C@@H](C)O1 ZINC000571122538 505658293 /nfs/dbraw/zinc/65/82/93/505658293.db2.gz GXNKHZYFMXPVFH-IAGOWNOFSA-N 2 0 372.513 3.381 20 0 FGADRP Cc1ncc2n1C[C@@H](C(=O)N[C@@H](C[N@H+](C)Cc1ccccc1)C(C)C)CC2 ZINC000580083218 505674305 /nfs/dbraw/zinc/67/43/05/505674305.db2.gz KTBJCURVHTYQJN-FPOVZHCZSA-N 2 0 368.525 3.027 20 0 FGADRP C[NH+](C)CCOCC[NH2+]Cc1csc2c1cccc2Br ZINC000580097739 505676801 /nfs/dbraw/zinc/67/68/01/505676801.db2.gz YLUJRBCVOKDDQF-UHFFFAOYSA-N 2 0 357.317 3.332 20 0 FGADRP CC[NH+]1CCC(NC(=O)NCc2ccc(C[NH+]3CCC(C)CC3)cc2)CC1 ZINC000047978707 493769199 /nfs/dbraw/zinc/76/91/99/493769199.db2.gz YAHDKWMYLOBVAB-UHFFFAOYSA-N 2 0 372.557 3.202 20 0 FGADRP C[N@@H+](Cc1ccccc1)CC1CC[NH+](Cc2ccc(C(N)=O)cc2)CC1 ZINC000057843939 493807559 /nfs/dbraw/zinc/80/75/59/493807559.db2.gz FPOQRMRICKVUSH-UHFFFAOYSA-N 2 0 351.494 3.130 20 0 FGADRP CC[NH+](CC)CC1CC[NH+](CC(=O)N[C@@H]2CCCc3ccccc32)CC1 ZINC000057847054 493808555 /nfs/dbraw/zinc/80/85/55/493808555.db2.gz XHIHNWBJBHIGFY-OAQYLSRUSA-N 2 0 357.542 3.234 20 0 FGADRP C[C@@H]1CC[N@H+](CCOc2ccc(NC(=O)C[C@H]3CCCC[C@H]3[NH3+])cc2)C1 ZINC000568387001 505682393 /nfs/dbraw/zinc/68/23/93/505682393.db2.gz JTMLYGGFTLZOPF-MBOZVWFJSA-N 2 0 359.514 3.253 20 0 FGADRP O=C([C@H]1CCC[N@@H+]1Cc1ccccc1)N1CCC([NH+]2CCCCC2)CC1 ZINC000058263155 493839453 /nfs/dbraw/zinc/83/94/53/493839453.db2.gz LQJJPVKIGBPWGP-OAQYLSRUSA-N 2 0 355.526 3.128 20 0 FGADRP C[C@H](c1ccc(F)cc1)[NH+]1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000076324698 493865762 /nfs/dbraw/zinc/86/57/62/493865762.db2.gz UZGHQZKAAXIZGI-MRXNPFEDSA-N 2 0 363.521 3.303 20 0 FGADRP C[N@H+](CCOc1cccc(C[NH2+]Cc2ccccc2)c1)C1CCOCC1 ZINC000076399907 493885347 /nfs/dbraw/zinc/88/53/47/493885347.db2.gz SPTRAZHBKWBWAA-UHFFFAOYSA-N 2 0 354.494 3.466 20 0 FGADRP O=C([C@@H]1CCC[N@H+](Cc2ccccc2)C1)N1CCC([NH+]2CCCCC2)CC1 ZINC000058856230 493889032 /nfs/dbraw/zinc/88/90/32/493889032.db2.gz KFPNNHPEKKBOTM-OAQYLSRUSA-N 2 0 369.553 3.376 20 0 FGADRP C[N@H+](CC[C@@H]1CCCC[NH+]1C)CC1(O)CCC(C(=O)OC(C)(C)C)CC1 ZINC000599300102 506402048 /nfs/dbraw/zinc/40/20/48/506402048.db2.gz NBGCBAPHDOJQSJ-WBTXTPOCSA-N 2 0 368.562 3.056 20 0 FGADRP C[NH+](C)Cc1ccc(C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)cc1 ZINC000069181265 493933203 /nfs/dbraw/zinc/93/32/03/493933203.db2.gz ANTQJAHXZHOCRT-SFHVURJKSA-N 2 0 357.523 3.377 20 0 FGADRP CC1CC[NH+](CC(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)CC1 ZINC000051209514 493953796 /nfs/dbraw/zinc/95/37/96/493953796.db2.gz QYKLQLCAKULKAK-UHFFFAOYSA-N 2 0 363.933 3.153 20 0 FGADRP C[N@H+](CCc1ccccc1)CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000076710906 493956106 /nfs/dbraw/zinc/95/61/06/493956106.db2.gz BFOFJGHVONVGGP-UHFFFAOYSA-N 2 0 365.521 3.073 20 0 FGADRP CC[N@H+](C)Cc1cccc(CNC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)c1 ZINC000061795018 493994750 /nfs/dbraw/zinc/99/47/50/493994750.db2.gz RGUTVCSTLYZBJI-NRFANRHFSA-N 2 0 368.525 3.240 20 0 FGADRP CC[N@H+](C)Cc1cccc(CNC(=O)NC2CC[NH+](CC(C)C)CC2)c1 ZINC000061907922 493999461 /nfs/dbraw/zinc/99/94/61/493999461.db2.gz JPSQHCHNOWQWLO-UHFFFAOYSA-N 2 0 360.546 3.058 20 0 FGADRP O=C(Nc1ccc(CC[NH+]2CCCCC2)cc1)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000077202446 494031867 /nfs/dbraw/zinc/03/18/67/494031867.db2.gz COYWKPHYPCQGHK-OAQYLSRUSA-N 2 0 370.541 3.417 20 0 FGADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)N(CC[NH+](C)C)Cc1cccs1 ZINC000084440688 494073273 /nfs/dbraw/zinc/07/32/73/494073273.db2.gz YUGPXXMMNDGGQA-KRWDZBQOSA-N 2 0 366.575 3.086 20 0 FGADRP C[NH+](C)Cc1cccc(CNC(=O)c2cccc(C[NH+]3CCCC3)c2)c1 ZINC000063915467 494096973 /nfs/dbraw/zinc/09/69/73/494096973.db2.gz FAFAIVUQAMKSRA-UHFFFAOYSA-N 2 0 351.494 3.274 20 0 FGADRP CC(C)[NH+](CCNC(=O)N1CCC[N@H+](Cc2ccccc2)CC1)C(C)C ZINC000053958228 494177568 /nfs/dbraw/zinc/17/75/68/494177568.db2.gz NKKCSLWVSAADRW-UHFFFAOYSA-N 2 0 360.546 3.023 20 0 FGADRP CC[NH+](CC)CCOC1CC[NH+](Cc2ccc(-n3ccnc3)cc2)CC1 ZINC000072694614 494235134 /nfs/dbraw/zinc/23/51/34/494235134.db2.gz MFNVYYKOCKTUNT-UHFFFAOYSA-N 2 0 356.514 3.195 20 0 FGADRP CCC[NH+]1CCN(c2ccccc2C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC000088736479 494257602 /nfs/dbraw/zinc/25/76/02/494257602.db2.gz DOCGLWINOPLBGY-FRIKZZABSA-N 3 0 370.585 3.324 20 0 FGADRP Cc1ccccc1C[NH+]1CCC(NC(=O)NCC[NH+](C(C)C)C(C)C)CC1 ZINC000043062938 494261296 /nfs/dbraw/zinc/26/12/96/494261296.db2.gz ZLDOEIOUMCDGLO-UHFFFAOYSA-N 2 0 374.573 3.377 20 0 FGADRP C[N@H+](CCNC(=O)C1CC[NH+](Cc2ccccc2)CC1)Cc1ccccc1 ZINC000065992144 494266782 /nfs/dbraw/zinc/26/67/82/494266782.db2.gz GNZNRVTYAAIYES-UHFFFAOYSA-N 2 0 365.521 3.147 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(C(C)=O)c(C)c1 ZINC000089444713 494307657 /nfs/dbraw/zinc/30/76/57/494307657.db2.gz IYAWKQOBWZUCRK-IBGZPJMESA-N 2 0 374.529 3.077 20 0 FGADRP C[C@H](CNC(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1)C[NH+]1CCCC1 ZINC000073204678 494336734 /nfs/dbraw/zinc/33/67/34/494336734.db2.gz NHDDEAUYBFXYCZ-AABGKKOBSA-N 2 0 364.578 3.014 20 0 FGADRP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000073677746 494413023 /nfs/dbraw/zinc/41/30/23/494413023.db2.gz HLTRJFBQCNJVOW-AQNXPRMDSA-N 2 0 366.594 3.260 20 0 FGADRP C[C@H](NC(=O)C[C@H](c1ccccc1)[NH+](C)C)[C@@H](c1ccccc1)[NH+](C)C ZINC000571386329 505721366 /nfs/dbraw/zinc/72/13/66/505721366.db2.gz HZZCPHWAZABAAW-WEYGHZABSA-N 2 0 353.510 3.487 20 0 FGADRP C[C@H](CNC(=O)N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1)C[NH+]1CCCC1 ZINC000073773589 494426492 /nfs/dbraw/zinc/42/64/92/494426492.db2.gz JZCRVDMBUVNADG-WOJBJXKFSA-N 2 0 372.557 3.024 20 0 FGADRP Cc1ccc([C@H](C)[NH2+]Cc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)o1 ZINC000090028336 494431179 /nfs/dbraw/zinc/43/11/79/494431179.db2.gz ZGDZFKVDYUJJFD-KRWDZBQOSA-N 2 0 355.482 3.264 20 0 FGADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]CCOc1ncc(C(F)(F)F)cc1Cl ZINC000090082473 494438188 /nfs/dbraw/zinc/43/81/88/494438188.db2.gz NFGYMHNZSRUJIQ-GYSYKLTISA-N 2 0 365.827 3.451 20 0 FGADRP O[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]C2CCN(c3ccccc3)CC2)CC1 ZINC000090525690 494478666 /nfs/dbraw/zinc/47/86/66/494478666.db2.gz OCCANPHYLOWMAF-FGZHOGPDSA-N 2 0 357.542 3.013 20 0 FGADRP CC(C)[N@H+](C)CC1CCN(C(=O)NCC2([NH+](C)C)CCCCC2)CC1 ZINC000079570263 494484010 /nfs/dbraw/zinc/48/40/10/494484010.db2.gz XJGIGLIUAKIRME-UHFFFAOYSA-N 2 0 352.567 3.013 20 0 FGADRP CCc1nn(C)c(CC)c1C[NH2+][C@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000090846161 494500170 /nfs/dbraw/zinc/50/01/70/494500170.db2.gz HLELNLWDSBCIJE-MRXNPFEDSA-N 2 0 358.530 3.336 20 0 FGADRP C[C@@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)c1cnc2ccsc2c1 ZINC000090937052 494504486 /nfs/dbraw/zinc/50/44/86/494504486.db2.gz AYNUHBJEROWBOU-CQSZACIVSA-N 2 0 356.495 3.483 20 0 FGADRP COc1ccc2c(c1)[C@@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)CCCO2 ZINC000090937383 494504538 /nfs/dbraw/zinc/50/45/38/494504538.db2.gz IBXZOGSZXDRBHA-IBGZPJMESA-N 2 0 371.481 3.034 20 0 FGADRP C[C@@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)c1ccccc1OC(F)F ZINC000090936963 494504815 /nfs/dbraw/zinc/50/48/15/494504815.db2.gz GDZZMSDRZJLTLM-CQSZACIVSA-N 2 0 365.424 3.474 20 0 FGADRP COc1ccc2c(c1)OC[C@H]([NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1)C2 ZINC000090964786 494506903 /nfs/dbraw/zinc/50/69/03/494506903.db2.gz UYIOEFIQBLWITP-QFBILLFUSA-N 2 0 370.493 3.290 20 0 FGADRP C[NH+](C)CCC1CC[NH+](CCC(=O)Nc2ccc(Cl)cc2F)CC1 ZINC000056522143 494519596 /nfs/dbraw/zinc/51/95/96/494519596.db2.gz VYXJPNYOMRCGAE-UHFFFAOYSA-N 2 0 355.885 3.471 20 0 FGADRP CN(C(=O)C[NH+]1CCC(CC[NH+](C)C)CC1)[C@@H]1CCCc2ccccc21 ZINC000056522757 494519760 /nfs/dbraw/zinc/51/97/60/494519760.db2.gz QLULZUUPWLKUNM-OAQYLSRUSA-N 2 0 357.542 3.186 20 0 FGADRP C[NH+](C)CCCCC(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000568579576 505727406 /nfs/dbraw/zinc/72/74/06/505727406.db2.gz UCORELQUPAQFBC-JOCHJYFZSA-N 2 0 357.542 3.233 20 0 FGADRP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H](c3ccccc3)C3CC3)cn2)CC1 ZINC000091286993 494578444 /nfs/dbraw/zinc/57/84/44/494578444.db2.gz RYGJNTPGLKXISE-QFIPXVFZSA-N 2 0 350.510 3.464 20 0 FGADRP CC(C)[NH+](CCCNC(=O)NC[C@H](c1ccco1)[NH+]1CCCC1)C(C)C ZINC000074804145 494603996 /nfs/dbraw/zinc/60/39/96/494603996.db2.gz IOCBDNQGMMGVFZ-GOSISDBHSA-N 2 0 364.534 3.225 20 0 FGADRP CC[NH+]1CCN(c2ccccc2C[N@H+](C)Cc2ccc(OC)c(O)c2)CC1 ZINC000092405155 494615179 /nfs/dbraw/zinc/61/51/79/494615179.db2.gz SALNAXVJFTZALO-UHFFFAOYSA-N 2 0 369.509 3.175 20 0 FGADRP C[NH+]1CCN(c2ccc(C(F)(F)F)cc2C[NH2+][C@H]2CCCSC2)CC1 ZINC000131589312 494667371 /nfs/dbraw/zinc/66/73/71/494667371.db2.gz NQQUGLJBOQGCGY-INIZCTEOSA-N 2 0 373.488 3.442 20 0 FGADRP COc1ccc(C[NH+]2CCC(C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)c(OC)c1 ZINC000092586980 494676923 /nfs/dbraw/zinc/67/69/23/494676923.db2.gz GFWBUIRYPMASGE-IRXDYDNUSA-N 2 0 362.514 3.025 20 0 FGADRP COc1ccc(C[NH+]2CCC(C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)cc1OC ZINC000092587378 494678032 /nfs/dbraw/zinc/67/80/32/494678032.db2.gz UBMPVBFAMULBRU-IRXDYDNUSA-N 2 0 362.514 3.025 20 0 FGADRP C[C@H]([NH2+]CCN1CCC([NH+](C)C)CC1)c1ccc(Br)c(F)c1 ZINC000131670636 494693776 /nfs/dbraw/zinc/69/37/76/494693776.db2.gz WZOPTYBQLQQWKZ-ZDUSSCGKSA-N 2 0 372.326 3.265 20 0 FGADRP c1cnn(Cc2cccc(C[NH2+][C@H]3C[C@@]4(CC[NH2+]C4)Oc4ccccc43)c2)c1 ZINC000568617131 505737792 /nfs/dbraw/zinc/73/77/92/505737792.db2.gz JOJHQRSLMFISNX-JTHBVZDNSA-N 2 0 374.488 3.277 20 0 FGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H](C)c2ccc(F)cc2OC(F)F)CC1 ZINC000121371412 494724416 /nfs/dbraw/zinc/72/44/16/494724416.db2.gz IYZXUQHPHAIWDV-CABCVRRESA-N 2 0 373.463 3.351 20 0 FGADRP C[C@H]([NH2+]CC1([NH3+])C2CC3CC(C2)CC1C3)c1ccc2c(c1)CCC(=O)N2 ZINC000568617996 505738138 /nfs/dbraw/zinc/73/81/38/505738138.db2.gz KRKKPLGMLQRYRA-KHYQYINDSA-N 2 0 353.510 3.376 20 0 FGADRP C[C@@H]([NH2+]CC1CC[NH+](C)CC1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000126389308 494733306 /nfs/dbraw/zinc/73/33/06/494733306.db2.gz LIGTWTDUFMOXAH-MRXNPFEDSA-N 2 0 364.555 3.395 20 0 FGADRP O=C(c1cccc(C[NH+]2CCCC2)c1)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000068132228 494773376 /nfs/dbraw/zinc/77/33/76/494773376.db2.gz LBIDUUYRSMFGNJ-NRFANRHFSA-N 2 0 355.526 3.373 20 0 FGADRP Cc1ccc(OC[C@H](O)C[NH2+][C@@H]2CCN([C@@H](C)c3ccccc3)C2)c(C)c1 ZINC000571474309 505741027 /nfs/dbraw/zinc/74/10/27/505741027.db2.gz LFWWXBDKNZYLTF-KSEOMHKRSA-N 2 0 368.521 3.468 20 0 FGADRP CCC[N@@H+]1CC[C@@H](CNC(=O)NC2CC[NH+]([C@@H](C)c3ccccc3)CC2)C1 ZINC000116491006 494799662 /nfs/dbraw/zinc/79/96/62/494799662.db2.gz JBAFSRAPWCVEBA-OALUTQOASA-N 2 0 372.557 3.243 20 0 FGADRP Cc1cc(Cl)c2c(c1)[C@H]([NH2+]C[C@@H](C)N1CC[NH+](C)CC1)CCCO2 ZINC000126661440 494813288 /nfs/dbraw/zinc/81/32/88/494813288.db2.gz YMGXLBZOKJSHAN-CRAIPNDOSA-N 2 0 351.922 3.088 20 0 FGADRP COc1ccc2c(c1)[C@H]([NH2+]Cc1ccc(CN3CC[NH+](C)CC3)cc1)CC2 ZINC000126675034 494816963 /nfs/dbraw/zinc/81/69/63/494816963.db2.gz WDPYZTWKEDFJEB-HSZRJFAPSA-N 2 0 365.521 3.220 20 0 FGADRP C[NH+](C)CC[C@H](NC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1)C(C)(C)C ZINC000116566966 494817610 /nfs/dbraw/zinc/81/76/10/494817610.db2.gz SQNFQJZQGNJEQS-MSOLQXFVSA-N 2 0 352.567 3.013 20 0 FGADRP CCn1cc([C@H](C)[NH2+][C@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)cn1 ZINC000126714536 494825337 /nfs/dbraw/zinc/82/53/37/494825337.db2.gz FVXQLZPGWYSUGM-JKSUJKDBSA-N 2 0 359.493 3.206 20 0 FGADRP CC(C)[N@H+](C)CCNC(=O)N1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000121633409 494826470 /nfs/dbraw/zinc/82/64/70/494826470.db2.gz IGZLBRKJVFJBTK-NHCUHLMSSA-N 2 0 372.557 3.023 20 0 FGADRP CC[NH+]1CCC(CC[NH2+][C@@H](C)c2ccc(S(C)(=O)=O)c(F)c2)CC1 ZINC000121731498 494847208 /nfs/dbraw/zinc/84/72/08/494847208.db2.gz PUSUQPVACVUQER-AWEZNQCLSA-N 2 0 356.507 3.002 20 0 FGADRP CC(C)[C@@H](C[NH2+][C@H](C)c1cccc(Br)c1)N1CC[NH+](C)CC1 ZINC000132330153 494858238 /nfs/dbraw/zinc/85/82/38/494858238.db2.gz UQMSBLWIDCEXPL-CRAIPNDOSA-N 2 0 368.363 3.372 20 0 FGADRP Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000574322667 505747134 /nfs/dbraw/zinc/74/71/34/505747134.db2.gz RWUHSJJJQFYMHF-GOSISDBHSA-N 2 0 356.489 3.450 20 0 FGADRP Cc1csc(C[NH2+]CCCC[NH+]2CCN(Cc3ccccc3)CC2)n1 ZINC000117383165 494915714 /nfs/dbraw/zinc/91/57/14/494915714.db2.gz MAOSVRUJRUAPEH-UHFFFAOYSA-N 2 0 358.555 3.139 20 0 FGADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)Nc1ccc(CCC(F)(F)F)cc1 ZINC000132829176 494930179 /nfs/dbraw/zinc/93/01/79/494930179.db2.gz ZROKUZHQKIKHCT-UHFFFAOYSA-N 2 0 374.451 3.139 20 0 FGADRP C[C@H](NC1CC[NH+](C[C@@H]2CCOC2)CC1)c1cccc(OC(F)F)c1 ZINC000132928950 494944311 /nfs/dbraw/zinc/94/43/11/494944311.db2.gz FLOSXRMRYUVEMV-GJZGRUSLSA-N 2 0 354.441 3.440 20 0 FGADRP Cc1nccn1-c1ccc([C@@H](C)[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)cc1 ZINC000132974200 494950763 /nfs/dbraw/zinc/95/07/63/494950763.db2.gz JVEXLDDVVREIRX-IEBWSBKVSA-N 2 0 368.525 3.332 20 0 FGADRP Cc1nc(-c2ccccc2)sc1[C@H](C)[NH2+]C[C@H](C)N1CC[NH+](C)CC1 ZINC000127689553 494982315 /nfs/dbraw/zinc/98/23/15/494982315.db2.gz SYKUAPICGJXIIC-HOTGVXAUSA-N 2 0 358.555 3.405 20 0 FGADRP Cc1ccc2nc(CSCC(=O)NC[C@H]3CCC[N@@H+](C(C)C)C3)cn2c1 ZINC000128005835 495029900 /nfs/dbraw/zinc/02/99/00/495029900.db2.gz YANLXKLXGLLGSV-QGZVFWFLSA-N 2 0 374.554 3.113 20 0 FGADRP C[NH+](C)Cc1c2ccccc2oc1C(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000118759072 495032374 /nfs/dbraw/zinc/03/23/74/495032374.db2.gz SCXHQZMLJZLMGL-UHFFFAOYSA-N 2 0 365.477 3.486 20 0 FGADRP Cc1ccc(-c2noc(CCC[N@@H+](C)C[C@H]3CCC[NH+](C)C3)n2)cc1F ZINC000118841307 495047125 /nfs/dbraw/zinc/04/71/25/495047125.db2.gz ZXEMZHHXRWFGPE-INIZCTEOSA-N 2 0 360.477 3.390 20 0 FGADRP COc1ccc(C[NH2+][C@H](C)c2ccc(OCC[NH+](C)C)cc2)c(OC)c1 ZINC000118948556 495055445 /nfs/dbraw/zinc/05/54/45/495055445.db2.gz RFBITDIZEVLTIT-MRXNPFEDSA-N 2 0 358.482 3.495 20 0 FGADRP C[C@H](CNC(=O)Nc1cccc(C[NH+](C)C)c1)[N@H+](C)Cc1ccccc1 ZINC000111418987 495072836 /nfs/dbraw/zinc/07/28/36/495072836.db2.gz LGPOFGLHOINTLF-QGZVFWFLSA-N 2 0 354.498 3.390 20 0 FGADRP C[C@@H]([NH2+]CCCN1CCC[N@H+](C)CC1)c1ccccc1Br ZINC000128288555 495073514 /nfs/dbraw/zinc/07/35/14/495073514.db2.gz RRZCLEUISNHNDP-OAHLLOKOSA-N 2 0 354.336 3.127 20 0 FGADRP C[C@H](C(=O)N1CCc2sccc2C1)[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123135358 495085274 /nfs/dbraw/zinc/08/52/74/495085274.db2.gz XXIQBPVSPRZTAE-MRXNPFEDSA-N 2 0 363.571 3.075 20 0 FGADRP C[NH+](C)CCN(CC1CCCCC1)C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000119076968 495087154 /nfs/dbraw/zinc/08/71/54/495087154.db2.gz KEFJVEKDACRALQ-UHFFFAOYSA-N 2 0 366.594 3.260 20 0 FGADRP CC[NH+](CC)CCOc1ccc(NC(=O)[C@H]2C[NH2+]Cc3ccccc32)cc1 ZINC000580440423 505760345 /nfs/dbraw/zinc/76/03/45/505760345.db2.gz WCVRHFBGCFLOIC-NRFANRHFSA-N 2 0 367.493 3.233 20 0 FGADRP COC[C@H]([NH2+]CCCN1CCC[N@H+](C)CC1)c1cccc(C(F)(F)F)c1 ZINC000128468553 495101574 /nfs/dbraw/zinc/10/15/74/495101574.db2.gz VWXUGQGUWBAJIP-SFHVURJKSA-N 2 0 373.463 3.010 20 0 FGADRP COc1cc(OC)c([C@H](C)[NH2+]CCCN2CCC[N@H+](C)CC2)cc1Cl ZINC000128579663 495119393 /nfs/dbraw/zinc/11/93/93/495119393.db2.gz BILZMDVYUGJISQ-HNNXBMFYSA-N 2 0 369.937 3.035 20 0 FGADRP C[N@H+](CCCNC(=O)N1CCC([NH2+]C2CCCC2)CC1)Cc1ccccc1 ZINC000128901148 495166010 /nfs/dbraw/zinc/16/60/10/495166010.db2.gz SEHQJUUUANPBQA-UHFFFAOYSA-N 2 0 372.557 3.215 20 0 FGADRP CN(C(=O)C[C@@H]([NH3+])c1ccccc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000119656337 495211320 /nfs/dbraw/zinc/21/13/20/495211320.db2.gz AEOCQLHSVBGVQM-OAQYLSRUSA-N 2 0 351.494 3.200 20 0 FGADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000119686126 495218135 /nfs/dbraw/zinc/21/81/35/495218135.db2.gz SVQWQYDWLIZHRO-UHFFFAOYSA-N 2 0 370.497 3.436 20 0 FGADRP CC1CC[NH+](C[C@@H]2CCC[N@H+](CCC(=O)N(C)c3ccccc3)C2)CC1 ZINC000135014776 495238498 /nfs/dbraw/zinc/23/84/98/495238498.db2.gz NSIWWINNZJCRDS-HXUWFJFHSA-N 2 0 357.542 3.483 20 0 FGADRP Cc1ccccc1[C@H]([NH3+])C(=O)Nc1cccc(C[NH+]2CCSCC2)c1C ZINC000568752241 505770581 /nfs/dbraw/zinc/77/05/81/505770581.db2.gz PCPQKUKUFRZFEQ-FQEVSTJZSA-N 2 0 369.534 3.491 20 0 FGADRP COc1ccc([C@H](C)[NH2+]CC2CC[NH+](CCN(C)C)CC2)cc1Cl ZINC000124381794 495278681 /nfs/dbraw/zinc/27/86/81/495278681.db2.gz DAKBYEQZUCYRQZ-HNNXBMFYSA-N 2 0 353.938 3.273 20 0 FGADRP CC(C)Cn1ccc2cc(NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)ccc21 ZINC000120049135 495295903 /nfs/dbraw/zinc/29/59/03/495295903.db2.gz OUKVORLECQCPBZ-UHFFFAOYSA-N 2 0 373.545 3.254 20 0 FGADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000113364806 495300026 /nfs/dbraw/zinc/30/00/26/495300026.db2.gz CIUGHQPAGCGQMV-OAQYLSRUSA-N 2 0 372.557 3.215 20 0 FGADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000113591920 495318289 /nfs/dbraw/zinc/31/82/89/495318289.db2.gz ANHSSAWLCGVCID-IBGZPJMESA-N 2 0 372.557 3.167 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NCC2CC[NH+](CCC(C)C)CC2)[C@H](C)C1 ZINC000129983362 495324351 /nfs/dbraw/zinc/32/43/51/495324351.db2.gz YOSSQVRUUARBKV-QUCCMNQESA-N 2 0 366.594 3.116 20 0 FGADRP CCc1ccc([C@H](CNC(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)[NH+](C)C)cc1 ZINC000105083261 495335266 /nfs/dbraw/zinc/33/52/66/495335266.db2.gz LVMMHAKGRMHYQY-CTNGQTDRSA-N 2 0 374.573 3.271 20 0 FGADRP CC[NH+](CC)Cc1cccc(CNC(=O)NC[C@H]2CCC[N@H+](CC)C2)c1 ZINC000105118836 495338852 /nfs/dbraw/zinc/33/88/52/495338852.db2.gz NATYEKXVPYVALV-HXUWFJFHSA-N 2 0 360.546 3.060 20 0 FGADRP C[C@H]([NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1)c1ccc2c(c1)OCO2 ZINC000124774877 495341488 /nfs/dbraw/zinc/34/14/88/495341488.db2.gz OQEPUYJVIQASCV-KRWDZBQOSA-N 2 0 359.514 3.016 20 0 FGADRP C[NH+](C)Cc1c2ccccc2oc1C(=O)NCCC[NH+]1CCCCCC1 ZINC000114162629 495351942 /nfs/dbraw/zinc/35/19/42/495351942.db2.gz AOOODGHQHFMADM-UHFFFAOYSA-N 2 0 357.498 3.490 20 0 FGADRP C[N@@H+]1CCCC[C@@H]1CCC(=O)N1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000568789887 505777581 /nfs/dbraw/zinc/77/75/81/505777581.db2.gz MMDGMCJCBGSHAK-FYYLOGMGSA-N 2 0 369.553 3.376 20 0 FGADRP Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@H]2[NH2+]CC2(C)CC[NH2+]CC2)cc1 ZINC000574442095 505774265 /nfs/dbraw/zinc/77/42/65/505774265.db2.gz UQCVJIHSRIAJAF-RTBURBONSA-N 2 0 364.555 3.059 20 0 FGADRP CC[C@H](C)[N@H+](C)CCNC(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000125159678 495399969 /nfs/dbraw/zinc/39/99/69/495399969.db2.gz YWFBUBLYIBZJGY-VIQWUECVSA-N 2 0 352.567 3.059 20 0 FGADRP CCC(CC)(CNC(=O)[C@H]1CC12CC[NH2+]CC2)[NH2+][C@@H](C)c1ccccc1 ZINC000137249033 495432707 /nfs/dbraw/zinc/43/27/07/495432707.db2.gz LADXKWMVOCNJKN-PKOBYXMFSA-N 2 0 357.542 3.402 20 0 FGADRP C[C@H](Cn1cc(Br)cn1)[NH2+]CCC[N@H+](C)C1CCCCC1 ZINC000120769115 495453996 /nfs/dbraw/zinc/45/39/96/495453996.db2.gz GPTRAGKXEDDYNA-CQSZACIVSA-N 2 0 357.340 3.278 20 0 FGADRP CC[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)C1 ZINC000120808364 495462695 /nfs/dbraw/zinc/46/26/95/495462695.db2.gz UNAKZGNMPHTEQC-OAHLLOKOSA-N 2 0 352.404 3.323 20 0 FGADRP COc1ccc2cc([C@H](C)[NH2+]C[C@H](C)CN3CC[NH+](C)CC3)ccc2c1 ZINC000121062439 495515209 /nfs/dbraw/zinc/51/52/09/495515209.db2.gz NCLVNNNZVBYARU-ROUUACIJSA-N 2 0 355.526 3.383 20 0 FGADRP C[C@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)c1ccc(NS(C)(=O)=O)cc1 ZINC000125917492 495518258 /nfs/dbraw/zinc/51/82/58/495518258.db2.gz ODLDNMMEBKGQFL-WMLDXEAASA-N 2 0 355.548 3.075 20 0 FGADRP CC[NH+]1CCN(CCC[NH2+][C@@H]2CCSc3ccc(Cl)cc32)CC1 ZINC000154266144 495561269 /nfs/dbraw/zinc/56/12/69/495561269.db2.gz VJEZWKSUBZTPMA-QGZVFWFLSA-N 2 0 353.963 3.494 20 0 FGADRP CCC[C@@H](C(=O)Nc1cccc(NC(=O)CC[NH+]2CCCCC2)c1)[NH+](C)C ZINC000154294208 495571645 /nfs/dbraw/zinc/57/16/45/495571645.db2.gz NUHGIEIXNNLNCM-IBGZPJMESA-N 2 0 374.529 3.170 20 0 FGADRP CN(C)c1ccnc(N2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)n1 ZINC000154310461 495576402 /nfs/dbraw/zinc/57/64/02/495576402.db2.gz OWTZZUKLZJYCFG-RTBURBONSA-N 2 0 351.498 3.034 20 0 FGADRP C[N@@H+]1CCC[C@H]2C[NH+](CCc3nc(-c4cccc(Cl)c4)no3)CC[C@@H]21 ZINC000158741889 495579643 /nfs/dbraw/zinc/57/96/43/495579643.db2.gz WCYDGBWYJKWGFQ-RDJZCZTQSA-N 2 0 360.889 3.349 20 0 FGADRP C[N@@H+]1CCC[C@@H]2CN(Cc3cc4c(cc3Br)OCO4)CC[C@@H]21 ZINC000158863445 495603742 /nfs/dbraw/zinc/60/37/42/495603742.db2.gz LWTFRNXTFBIGKU-DOMZBBRYSA-N 2 0 367.287 3.094 20 0 FGADRP Cc1nc(C(C)(C)C)sc1[C@@H](C)[NH2+]CCCC[NH+]1CCN(C)CC1 ZINC000154410910 495608269 /nfs/dbraw/zinc/60/82/69/495608269.db2.gz QOXXCZZEPQCHER-OAHLLOKOSA-N 2 0 352.592 3.427 20 0 FGADRP C[C@@H]([NH2+]CCCC[NH+]1CCN(C)CC1)c1ccc(F)cc1OC(F)F ZINC000154431838 495614120 /nfs/dbraw/zinc/61/41/20/495614120.db2.gz PDDYDEJJXYVNMC-CQSZACIVSA-N 2 0 359.436 3.105 20 0 FGADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000176365369 495622023 /nfs/dbraw/zinc/62/20/23/495622023.db2.gz SXMVSVMUUDGPRE-RTWAWAEBSA-N 2 0 370.541 3.051 20 0 FGADRP Cc1nc(-c2cccnc2)sc1[C@H](C)NC[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000158945752 495622192 /nfs/dbraw/zinc/62/21/92/495622192.db2.gz UHBOWKXNMUUFEF-MAUKXSAKSA-N 2 0 374.554 3.257 20 0 FGADRP CCCN(Cc1ccc(C)cc1)C(=O)CN1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000150755517 495623089 /nfs/dbraw/zinc/62/30/89/495623089.db2.gz KAFVJOHKANZAEI-NRFANRHFSA-N 2 0 357.542 3.151 20 0 FGADRP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](C[C@H](O)COCc2ccco2)CC1 ZINC000158963421 495625440 /nfs/dbraw/zinc/62/54/40/495625440.db2.gz HGQZOIDVSCZPMR-ICSRJNTNSA-N 2 0 364.530 3.134 20 0 FGADRP C[C@H](CNC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)[NH+](C)C1CC1 ZINC000159115920 495662864 /nfs/dbraw/zinc/66/28/64/495662864.db2.gz QZOPIRSLSXOAMX-OPYAIIAOSA-N 2 0 372.557 3.164 20 0 FGADRP COCC[N@H+](C)CCCC1CC[NH+](Cc2ccc(-n3cccn3)cc2)CC1 ZINC000179678640 495688273 /nfs/dbraw/zinc/68/82/73/495688273.db2.gz HSEWRMXYSHOTHH-UHFFFAOYSA-N 2 0 370.541 3.443 20 0 FGADRP CCC[NH+]1CCC(N(C)C(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)CC1 ZINC000171039146 495698562 /nfs/dbraw/zinc/69/85/62/495698562.db2.gz LSFKVMSZZHQXON-NRFANRHFSA-N 2 0 372.557 3.339 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N1CC[C@@H]([NH+]2CCCC2)C1)c1ccsc1 ZINC000171038132 495698649 /nfs/dbraw/zinc/69/86/49/495698649.db2.gz REBIIFBBOLAREY-QZTJIDSGSA-N 2 0 364.559 3.011 20 0 FGADRP CC(=O)c1ccccc1NC(=O)[C@H](C)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185766271 495717428 /nfs/dbraw/zinc/71/74/28/495717428.db2.gz HWFLYORZGUOIAF-XYJFISCASA-N 2 0 371.525 3.459 20 0 FGADRP CC1CC[NH+](C[C@H]2CCCN(CC(=O)N(C)Cc3cccs3)C2)CC1 ZINC000154759177 495719173 /nfs/dbraw/zinc/71/91/73/495719173.db2.gz ASZDMNNMTWTDFE-GOSISDBHSA-N 2 0 363.571 3.150 20 0 FGADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000173858559 495722217 /nfs/dbraw/zinc/72/22/17/495722217.db2.gz GXPIOQBGIPUPAH-PZJWPPBQSA-N 2 0 372.557 3.024 20 0 FGADRP C[N@H+](CCNC(=O)NC1CC[NH+](CC2CCCC2)CC1)Cc1ccccc1 ZINC000171169687 495753154 /nfs/dbraw/zinc/75/31/54/495753154.db2.gz VXCWSDZMACRTLS-UHFFFAOYSA-N 2 0 372.557 3.072 20 0 FGADRP C[C@@H]([NH2+]Cc1cccc(C[NH2+][C@@H](C)C2CCOCC2)c1)C1CCOCC1 ZINC000179877812 495768755 /nfs/dbraw/zinc/76/87/55/495768755.db2.gz IQGVOABCUIMSOW-HDICACEKSA-N 2 0 360.542 3.496 20 0 FGADRP CSC1(C[NH2+][C@@H](C)c2ccc(OCC[NH+](C)C)cc2)CC[NH+](C)CC1 ZINC000574561790 505802619 /nfs/dbraw/zinc/80/26/19/505802619.db2.gz XHRDDSKXBVWRMF-KRWDZBQOSA-N 3 0 365.587 3.105 20 0 FGADRP O=C(CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)N1CCCCC1 ZINC000180170208 495891204 /nfs/dbraw/zinc/89/12/04/495891204.db2.gz QATBLEYKBBPXBP-SEJPIABJSA-N 2 0 355.526 3.174 20 0 FGADRP C[C@H]1C[NH+](CCC2CC[NH+](Cc3cnn4ccccc34)CC2)C[C@H](C)O1 ZINC000180181857 495895309 /nfs/dbraw/zinc/89/53/09/495895309.db2.gz FDVZSSCVDWOGOW-ROUUACIJSA-N 2 0 356.514 3.046 20 0 FGADRP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3cc(Cl)cc4cccnc43)C2)CC1 ZINC000171527793 495915103 /nfs/dbraw/zinc/91/51/03/495915103.db2.gz WXFORJYSKCWGJZ-LJQANCHMSA-N 2 0 358.917 3.100 20 0 FGADRP C[C@H]1C[NH+](CCC2CC[NH+](Cc3cc(O)cc(F)c3)CC2)C[C@H](C)O1 ZINC000186259619 495917555 /nfs/dbraw/zinc/91/75/55/495917555.db2.gz BPIWCKJMEOWPSC-HOTGVXAUSA-N 2 0 350.478 3.243 20 0 FGADRP C[C@H]([NH2+]CCCN1CCC[C@@H]1C(=O)N(C)C)c1ccc(F)c(Cl)c1 ZINC000155327184 495920854 /nfs/dbraw/zinc/92/08/54/495920854.db2.gz OSLBIJXRMBITQG-SUMWQHHRSA-N 2 0 355.885 3.072 20 0 FGADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000171613063 495948132 /nfs/dbraw/zinc/94/81/32/495948132.db2.gz WTTWNACDGUMOKM-OAQYLSRUSA-N 2 0 372.557 3.297 20 0 FGADRP O=C(NCc1cccc(C[NH+]2CCCC2)c1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000171615805 495950075 /nfs/dbraw/zinc/95/00/75/495950075.db2.gz BQXKWNCGWQCBIX-OAQYLSRUSA-N 2 0 370.541 3.052 20 0 FGADRP C(CC[NH+]1CC[C@@H]2OCCC[C@@H]2C1)CC[N@@H+]1CC[C@H]2OCCC[C@@H]2C1 ZINC000155417437 495951903 /nfs/dbraw/zinc/95/19/03/495951903.db2.gz KWEAVQBQIPMYGR-NCYKPQTJSA-N 2 0 350.547 3.159 20 0 FGADRP COc1cccc([C@H](CNC(=O)C2CC[NH+](C(C)C)CC2)[NH+]2CCCC2)c1 ZINC000174425683 495952954 /nfs/dbraw/zinc/95/29/54/495952954.db2.gz ZXMVBOYOJPZUSM-NRFANRHFSA-N 2 0 373.541 3.069 20 0 FGADRP CCN(C(=O)c1ccc(C[NH+](C)C)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000186340070 495955605 /nfs/dbraw/zinc/95/56/05/495955605.db2.gz ZHKDXVSHISCUIE-JOCHJYFZSA-N 2 0 365.521 3.485 20 0 FGADRP C[C@@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+]C1CCN(CC(F)(F)F)CC1 ZINC000151844451 495967001 /nfs/dbraw/zinc/96/70/01/495967001.db2.gz FNDLVVIBZHSREC-QAPCUYQASA-N 2 0 355.448 3.123 20 0 FGADRP O=C(C1CC1)N1CCC([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC000568948331 505815091 /nfs/dbraw/zinc/81/50/91/505815091.db2.gz FFBHRPPFPKUQOI-KOUNCHBCSA-N 2 0 367.537 3.173 20 0 FGADRP C[C@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1ccc(Br)cc1 ZINC000177206704 495976756 /nfs/dbraw/zinc/97/67/56/495976756.db2.gz UJACSLLHTSUDBD-AWEZNQCLSA-N 2 0 354.336 3.126 20 0 FGADRP CCN1CCO[C@@H](C(=O)Nc2ccccc2C[N@H+](C)C2CCCCC2)C1 ZINC000174531864 495996884 /nfs/dbraw/zinc/99/68/84/495996884.db2.gz QKLGUPLXALKTLX-HXUWFJFHSA-N 2 0 359.514 3.110 20 0 FGADRP C[C@H](C[NH2+]C(c1ccc(F)cc1)c1ccc(F)cc1)N1CC[NH+](C)CC1 ZINC000180464074 496005966 /nfs/dbraw/zinc/00/59/66/496005966.db2.gz WVWAWJCHQAAQRJ-MRXNPFEDSA-N 2 0 359.464 3.280 20 0 FGADRP C[C@H](C[NH2+][C@@H](c1ccccc1)c1ccc(F)cc1)CN1CC[NH+](C)CC1 ZINC000177294264 496009063 /nfs/dbraw/zinc/00/90/63/496009063.db2.gz DCFRCKYXSBTTQK-GCJKJVERSA-N 2 0 355.501 3.388 20 0 FGADRP COc1ccc([C@H]([NH2+][C@H](C)CN2CC[NH+](C)CC2)c2ccccc2)cc1 ZINC000180496719 496021402 /nfs/dbraw/zinc/02/14/02/496021402.db2.gz RVGALXNQHUBCQD-XMSQKQJNSA-N 2 0 353.510 3.010 20 0 FGADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H](COC)c2cccc(C(F)(F)F)c2)CC1 ZINC000155676907 496032147 /nfs/dbraw/zinc/03/21/47/496032147.db2.gz YIUCWVMIYOKKAN-YJBOKZPZSA-N 2 0 373.463 3.009 20 0 FGADRP CC[C@@H]([NH2+]C[C@@H](C)N1CC[NH+](CC)CC1)c1ccc(OC(F)F)cc1 ZINC000155715959 496044663 /nfs/dbraw/zinc/04/46/63/496044663.db2.gz YSZIPRGZAJCTKZ-CRAIPNDOSA-N 2 0 355.473 3.355 20 0 FGADRP CC[C@H]([NH2+]C[C@@H](C)N1CC[NH+](CC)CC1)c1ccc(OC(F)F)cc1 ZINC000155715881 496044778 /nfs/dbraw/zinc/04/47/78/496044778.db2.gz YSZIPRGZAJCTKZ-QAPCUYQASA-N 2 0 355.473 3.355 20 0 FGADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1ccccc1OC(F)(F)F ZINC000186565564 496047123 /nfs/dbraw/zinc/04/71/23/496047123.db2.gz DUVIPXMBJZCPFH-GJZGRUSLSA-N 2 0 359.436 3.262 20 0 FGADRP CC(C)c1ccccc1NC(=O)C[C@H](C)[NH2+][C@@H](C)CCN1CC[NH+](C)CC1 ZINC000186572587 496051436 /nfs/dbraw/zinc/05/14/36/496051436.db2.gz DIFYEFNOIUICTQ-OALUTQOASA-N 2 0 374.573 3.143 20 0 FGADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H]1CCc2c1cccc2Br ZINC000186582243 496055617 /nfs/dbraw/zinc/05/56/17/496055617.db2.gz PKDCWDCCMAVWDO-RDTXWAMCSA-N 2 0 366.347 3.052 20 0 FGADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@H]1CCc2ccc(OC(F)(F)F)cc21 ZINC000186591314 496060616 /nfs/dbraw/zinc/06/06/16/496060616.db2.gz BUDUFSBDYSXDLK-KDOFPFPSSA-N 2 0 371.447 3.188 20 0 FGADRP CC(C)[NH+]1CCC(C(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)CC1 ZINC000174692880 496065153 /nfs/dbraw/zinc/06/51/53/496065153.db2.gz YLLLRGOGYPQSNO-UHFFFAOYSA-N 2 0 361.505 3.027 20 0 FGADRP CC[C@](C)(CO)[NH2+]Cc1ccc(OCc2cn3cccc(C)c3n2)cc1 ZINC000152175806 496069550 /nfs/dbraw/zinc/06/95/50/496069550.db2.gz KPSSXZXQNLIIRP-OAQYLSRUSA-N 2 0 353.466 3.472 20 0 FGADRP C[N@H+](CCCN1CC[NH+](C)CC1)Cc1cc(-c2ccc(Cl)cc2)no1 ZINC000174714439 496074517 /nfs/dbraw/zinc/07/45/17/496074517.db2.gz XNFBVNCOIPPOED-UHFFFAOYSA-N 2 0 362.905 3.064 20 0 FGADRP COc1ccc([C@H]([NH2+]CCN2CCC([NH+](C)C)CC2)c2ccccc2)cc1 ZINC000180711974 496114036 /nfs/dbraw/zinc/11/40/36/496114036.db2.gz VFNCMQSCTULCAZ-HSZRJFAPSA-N 2 0 367.537 3.400 20 0 FGADRP CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1cccc(-n2ccnc2)c1 ZINC000174942883 496174143 /nfs/dbraw/zinc/17/41/43/496174143.db2.gz RWPRUYWHRYNVJA-HXUWFJFHSA-N 2 0 374.488 3.466 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)N1CC[C@@H](C[N@@H+](C)CC)C1)c1ccccc1 ZINC000177842984 496219595 /nfs/dbraw/zinc/21/95/95/496219595.db2.gz SHLLUSFXJUAENP-ICSRJNTNSA-N 2 0 360.546 3.053 20 0 FGADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)NC1CC[NH+](CC2CC2)CC1)c1ccccc1 ZINC000172251314 496228946 /nfs/dbraw/zinc/22/89/46/496228946.db2.gz GXUIBIBBJCRXLU-QGZVFWFLSA-N 2 0 372.557 3.289 20 0 FGADRP COc1ccc(-c2n[nH]cc2C[NH+]2CCC(C[NH+]3CCCC3)CC2)cc1 ZINC000152692339 496229027 /nfs/dbraw/zinc/22/90/27/496229027.db2.gz UEYWLUGZXFYOER-UHFFFAOYSA-N 2 0 354.498 3.393 20 0 FGADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)NC[C@@H](c2ccc(C)cc2)[NH+]2CCCC2)C1 ZINC000177867243 496231539 /nfs/dbraw/zinc/23/15/39/496231539.db2.gz PRQVPWASUYXNPC-FPOVZHCZSA-N 2 0 372.557 3.115 20 0 FGADRP CC(=O)NC1CCC([NH2+]Cc2ccccc2C[NH+]2CCC(C)CC2)CC1 ZINC000161779785 496236557 /nfs/dbraw/zinc/23/65/57/496236557.db2.gz HTTVPJILPFLWKX-UHFFFAOYSA-N 2 0 357.542 3.455 20 0 FGADRP CC[NH+](CC)CCCNC(=O)C1CC[NH+](Cc2ccc3c(c2)CCC3)CC1 ZINC000172431638 496295444 /nfs/dbraw/zinc/29/54/44/496295444.db2.gz YKFAHFKGSAUGNT-UHFFFAOYSA-N 2 0 371.569 3.235 20 0 FGADRP CC[NH+]1CCN(Cc2ccccc2C[NH2+][C@@H](C)c2cncc(C)c2)CC1 ZINC000184282400 496319070 /nfs/dbraw/zinc/31/90/70/496319070.db2.gz UEFMMBGWGPTLLI-IBGZPJMESA-N 2 0 352.526 3.378 20 0 FGADRP C[C@H]1C[NH+](CCCC[NH2+]Cc2cc(O)ccc2Br)C[C@H](C)O1 ZINC000178162630 496352380 /nfs/dbraw/zinc/35/23/80/496352380.db2.gz KCYGDGPMQPABJF-KBPBESRZSA-N 2 0 371.319 3.134 20 0 FGADRP CC[S@](=O)[C@@H]1CCC[C@H]([NH2+][C@@H](C)c2cccc(OCC[NH+](C)C)c2)C1 ZINC000162875346 496426928 /nfs/dbraw/zinc/42/69/28/496426928.db2.gz KAZLIBACXNTVAT-CGSFFBPTSA-N 2 0 366.571 3.357 20 0 FGADRP CC(C)[NH+]1CCC(C(=O)NC[C@@H](C2CC2)[N@H+](C)Cc2ccccc2)CC1 ZINC000187465240 496453184 /nfs/dbraw/zinc/45/31/84/496453184.db2.gz SHCDQSXGDAOGNW-NRFANRHFSA-N 2 0 357.542 3.134 20 0 FGADRP C[NH+](C)[C@@H](CNC(=O)NC1CC[NH+](C2CCCC2)CC1)C1CCCCC1 ZINC000175605905 496462013 /nfs/dbraw/zinc/46/20/13/496462013.db2.gz CUDAZMLYDCSHOP-FQEVSTJZSA-N 2 0 364.578 3.203 20 0 FGADRP CC(=O)Nc1ccc(C[NH2+][C@@H](C)c2ccc(OCC[NH+](C)C)cc2)cc1 ZINC000178485155 496471574 /nfs/dbraw/zinc/47/15/74/496471574.db2.gz YOYWZTALAFZASX-INIZCTEOSA-N 2 0 355.482 3.436 20 0 FGADRP CC[NH+](CC)Cc1ccccc1CNC(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000175645563 496481722 /nfs/dbraw/zinc/48/17/22/496481722.db2.gz NVDDIQNFFJQVGK-VQTJNVASSA-N 2 0 360.546 3.200 20 0 FGADRP C[C@@H](CNC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1)C[NH+]1CCCC1 ZINC000184675072 496488452 /nfs/dbraw/zinc/48/84/52/496488452.db2.gz WBRSKBCBUKWIIE-IBGZPJMESA-N 2 0 357.542 3.137 20 0 FGADRP C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]C[C@](C)(O)c1ccccc1Cl ZINC000157553948 496502182 /nfs/dbraw/zinc/50/21/82/496502182.db2.gz NTTSORHVLLCHKA-CZAAIQMYSA-N 2 0 373.928 3.443 20 0 FGADRP CCC1(CC)[C@H]([NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)C[C@@H]1OC ZINC000181708034 496511132 /nfs/dbraw/zinc/51/11/32/496511132.db2.gz WWJJSTAUUZSQLC-RTWAWAEBSA-N 2 0 360.542 3.327 20 0 FGADRP CCC[NH+]1CCC(CNC(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)CC1 ZINC000157629626 496518999 /nfs/dbraw/zinc/51/89/99/496518999.db2.gz AUGOERGXFONBQH-OAQYLSRUSA-N 2 0 372.557 3.245 20 0 FGADRP C[NH+]1CCN(CCC[NH2+]Cc2cccc(OCc3ccc(F)cc3)c2)CC1 ZINC000163461784 496519399 /nfs/dbraw/zinc/51/93/99/496519399.db2.gz ZYXGTFZWHVBNIJ-UHFFFAOYSA-N 2 0 371.500 3.132 20 0 FGADRP C[C@@H]([NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1)c1ccc(F)c(F)c1 ZINC000163546056 496530683 /nfs/dbraw/zinc/53/06/83/496530683.db2.gz CCXZLTPJAMUIRU-CQSZACIVSA-N 2 0 367.484 3.242 20 0 FGADRP C[C@H](C(=O)NC1CC[NH+](CCc2ccccc2)CC1)[C@@H]([NH3+])c1ccccc1 ZINC000178688563 496542276 /nfs/dbraw/zinc/54/22/76/496542276.db2.gz DGDIAPSDFQPGGB-PGRDOPGGSA-N 2 0 365.521 3.146 20 0 FGADRP C[C@@H](C(=O)N(C)C[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000175785571 496544877 /nfs/dbraw/zinc/54/48/77/496544877.db2.gz UMWASCCGQSOVJE-JTJHWIPRSA-N 2 0 357.542 3.228 20 0 FGADRP [NH3+][C@H]1CCCCCC[C@@H]1C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000178731656 496553759 /nfs/dbraw/zinc/55/37/59/496553759.db2.gz HSFVRZPCTIPZSB-SFTDATJTSA-N 2 0 357.542 3.313 20 0 FGADRP C[C@H](CC(=O)NCC1CC[NH+](Cc2ccccc2)CC1)C1CC[NH2+]CC1 ZINC000178731897 496553817 /nfs/dbraw/zinc/55/38/17/496553817.db2.gz LLIWZMAYLWAGJL-GOSISDBHSA-N 2 0 357.542 3.041 20 0 FGADRP COC[C@H]([NH2+]Cc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1)C1CCOCC1 ZINC000187771091 496565627 /nfs/dbraw/zinc/56/56/27/496565627.db2.gz VKZQIVYWIPLPBM-GCJKJVERSA-N 2 0 360.542 3.450 20 0 FGADRP C[C@@H](CC(=O)NCc1ccccc1C[NH+]1CCCCC1)[C@@H]1CCC[NH2+]C1 ZINC000163889519 496567027 /nfs/dbraw/zinc/56/70/27/496567027.db2.gz FZUFILKETBSLOY-RBUKOAKNSA-N 2 0 357.542 3.315 20 0 FGADRP C[C@@H](Cn1cc(Br)cn1)[NH2+]CCCC[N@@H+]1CCCC[C@H]1C ZINC000157873430 496574966 /nfs/dbraw/zinc/57/49/66/496574966.db2.gz MXJMMFNEGQEFFQ-LSDHHAIUSA-N 2 0 357.340 3.278 20 0 FGADRP CCO[C@@H]1C[C@@H]([NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)C12CCC2 ZINC000181860893 496575434 /nfs/dbraw/zinc/57/54/34/496575434.db2.gz ULNUZORTSUNDBW-NHCUHLMSSA-N 2 0 358.526 3.081 20 0 FGADRP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@H](C)C1)c1ccc(NS(C)(=O)=O)cc1 ZINC000157927588 496586872 /nfs/dbraw/zinc/58/68/72/496586872.db2.gz GPKRMQJBXLKKHC-IRXDYDNUSA-N 2 0 367.559 3.221 20 0 FGADRP C[C@@H](CNC(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1)C[NH+]1CCCC1 ZINC000175906347 496596618 /nfs/dbraw/zinc/59/66/18/496596618.db2.gz MMVMAFDLRFUKTO-IBGZPJMESA-N 2 0 372.557 3.024 20 0 FGADRP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+]1CCCC[C@H](C)C1 ZINC000187960030 496631556 /nfs/dbraw/zinc/63/15/56/496631556.db2.gz OZTGZOCRVXKYMN-OALUTQOASA-N 2 0 357.542 3.278 20 0 FGADRP Cc1ccc(S(=O)(=O)C[C@@H](C)[NH2+]CCCC[NH+]2CCC(C)CC2)cc1 ZINC000185036736 496631860 /nfs/dbraw/zinc/63/18/60/496631860.db2.gz NIOSSLSWWWYDFG-LJQANCHMSA-N 2 0 366.571 3.259 20 0 FGADRP C[C@@H]([NH2+]CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)c1cccc(Cl)c1 ZINC000182012643 496634791 /nfs/dbraw/zinc/63/47/91/496634791.db2.gz VXNADBSVYPCJAX-DNVCBOLYSA-N 2 0 359.901 3.410 20 0 FGADRP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)NCC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000175997321 496636775 /nfs/dbraw/zinc/63/67/75/496636775.db2.gz WSEXSKGMTQHRIZ-NHCUHLMSSA-N 2 0 372.557 3.071 20 0 FGADRP C[C@H](CC(=O)Nc1cccc(N2CCCC2)c1)[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000166444875 496686507 /nfs/dbraw/zinc/68/65/07/496686507.db2.gz AMLNBXHDIKTKSJ-YFVAEKQCSA-N 2 0 370.541 3.220 20 0 FGADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H](C)Cc1ccc(Br)cc1 ZINC000188239609 496721517 /nfs/dbraw/zinc/72/15/17/496721517.db2.gz JJGAFPUDHHJINB-RHSMWYFYSA-N 2 0 357.336 3.327 20 0 FGADRP COc1ccc(OC)c([C@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CC[C@H](O)C2)c1 ZINC000182263588 496722614 /nfs/dbraw/zinc/72/26/14/496722614.db2.gz VHWWHPVRSBWOKM-LPHOPBHVSA-N 2 0 370.493 3.121 20 0 FGADRP CCC(CC)[C@H](CNC(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21)[NH+]1CCCC1 ZINC000182284862 496726050 /nfs/dbraw/zinc/72/60/50/496726050.db2.gz LNVFIKNLDIJZCF-AABGKKOBSA-N 2 0 364.578 3.013 20 0 FGADRP Cc1cccc(N2CC[NH+](CCCC[NH2+][C@@H]3C[C@@H](C)[N@@H+](C)C[C@H]3C)CC2)c1 ZINC000246988207 496744652 /nfs/dbraw/zinc/74/46/52/496744652.db2.gz KBGVYCRPIOJRKW-MQSCRBSSSA-N 3 0 372.601 3.216 20 0 FGADRP Cc1c([C@@H](C)[NH2+]Cc2ccnc(OCC[NH+](C)C)c2)cnn1C(C)(C)C ZINC000191400830 496749623 /nfs/dbraw/zinc/74/96/23/496749623.db2.gz KXZUMPPMGNCNOB-OAHLLOKOSA-N 2 0 359.518 3.133 20 0 FGADRP C[C@H](CC(=O)Nc1ccc(F)cc1)[NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000247019947 496754052 /nfs/dbraw/zinc/75/40/52/496754052.db2.gz MUVQGGHLJLQJAA-ZACQAIPSSA-N 2 0 365.493 3.022 20 0 FGADRP CC(C)[NH+]1CCN(CCC[N@@H+](Cc2cccs2)C[C@H]2CCCO2)CC1 ZINC000191410904 496754558 /nfs/dbraw/zinc/75/45/58/496754558.db2.gz WWIGMSMEZXZPCB-LJQANCHMSA-N 2 0 365.587 3.145 20 0 FGADRP C[C@@H]([NH2+]CCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1ccc(NS(C)(=O)=O)cc1 ZINC000247049370 496762819 /nfs/dbraw/zinc/76/28/19/496762819.db2.gz NDKSUOAMZLCBDZ-IXDOHACOSA-N 2 0 367.559 3.077 20 0 FGADRP CCC[NH+](CCC)CCCC(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000263931272 496765841 /nfs/dbraw/zinc/76/58/41/496765841.db2.gz XTKHSZMMWBLKFG-UHFFFAOYSA-N 2 0 360.546 3.064 20 0 FGADRP CCCN(CCC[NH+](C)C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000188417676 496783643 /nfs/dbraw/zinc/78/36/43/496783643.db2.gz AORQICHFYYBGPM-UHFFFAOYSA-N 2 0 360.546 3.024 20 0 FGADRP CC[NH+](CC)CCOc1ccc(C[NH2+]Cc2nc(C)ccc2O)cc1OC ZINC000264026761 496793612 /nfs/dbraw/zinc/79/36/12/496793612.db2.gz BROVDXWIPNOENA-UHFFFAOYSA-N 2 0 373.497 3.115 20 0 FGADRP CC[NH+](CC)C[C@@H]1CCN(C[C@@H](O)COc2cccc(C(F)(F)F)c2)C1 ZINC000247223623 496809475 /nfs/dbraw/zinc/80/94/75/496809475.db2.gz CWUDZLXQHOTIFY-DOTOQJQBSA-N 2 0 374.447 3.109 20 0 FGADRP Cc1ccc2nc(C[NH2+][C@@H](C)c3ccc(OCC[NH+](C)C)cc3)cn2c1 ZINC000268923704 496824279 /nfs/dbraw/zinc/82/42/79/496824279.db2.gz QZORCUSZKDKFJY-KRWDZBQOSA-N 2 0 352.482 3.434 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cccc(-n2cncn2)c1 ZINC000268940888 496829091 /nfs/dbraw/zinc/82/90/91/496829091.db2.gz SSDPYNHKWGCNDX-XMSQKQJNSA-N 2 0 361.493 3.268 20 0 FGADRP C[C@@H]([NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000195134418 496830494 /nfs/dbraw/zinc/83/04/94/496830494.db2.gz PEICGTNEGZFYNA-IEBWSBKVSA-N 2 0 372.534 3.263 20 0 FGADRP CC[NH+](CC)CCNC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000247427696 496856929 /nfs/dbraw/zinc/85/69/29/496856929.db2.gz VUHSUMJQWWJYQH-AZUAARDMSA-N 2 0 360.546 3.023 20 0 FGADRP CC[NH+](CC)CCNC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000247427705 496857429 /nfs/dbraw/zinc/85/74/29/496857429.db2.gz VUHSUMJQWWJYQH-ICSRJNTNSA-N 2 0 360.546 3.023 20 0 FGADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)N(C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000247473676 496867204 /nfs/dbraw/zinc/86/72/04/496867204.db2.gz SSOIBJAZDDPKAV-NHCUHLMSSA-N 2 0 372.557 3.024 20 0 FGADRP C[C@H](C[NH2+][C@H](Cc1ccccc1F)c1ccccc1)N1CC[NH+](C)CC1 ZINC000191723022 496868148 /nfs/dbraw/zinc/86/81/48/496868148.db2.gz DRLIOBAQUDYCFT-XMSQKQJNSA-N 2 0 355.501 3.335 20 0 FGADRP O=C(NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1)C1CC[NH+](C2CC2)CC1 ZINC000195389046 496909738 /nfs/dbraw/zinc/90/97/38/496909738.db2.gz QCFFBGZHOFAYBB-NRFANRHFSA-N 2 0 355.526 3.032 20 0 FGADRP CCN1CC[NH+](CCCC[NH2+]C[C@@H](C)Cc2ccc(OC)c(F)c2)CC1 ZINC000273803271 496913493 /nfs/dbraw/zinc/91/34/93/496913493.db2.gz VXIFXBVRGDOJMZ-SFHVURJKSA-N 2 0 365.537 3.020 20 0 FGADRP CC(C)CNC(=O)[C@H](C)[NH2+]Cc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000195538740 496949541 /nfs/dbraw/zinc/94/95/41/496949541.db2.gz KTPKCJXZWBYFNA-OTWHNJEPSA-N 2 0 359.558 3.415 20 0 FGADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NCCC[NH+](C)C1CCCCC1 ZINC000195636023 496955931 /nfs/dbraw/zinc/95/59/31/496955931.db2.gz NKVGAFZQYVAJME-MSOLQXFVSA-N 2 0 352.567 3.061 20 0 FGADRP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(C[NH2+][C@@H]3CCc4ccccc43)c2)C1 ZINC000248152076 496964327 /nfs/dbraw/zinc/96/43/27/496964327.db2.gz QWMXMSIPZKUMOS-IFMALSPDSA-N 2 0 363.505 3.161 20 0 FGADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000248388501 496990021 /nfs/dbraw/zinc/99/00/21/496990021.db2.gz DXLDIWINAHGDRI-LAUBAEHRSA-N 2 0 366.509 3.390 20 0 FGADRP O[C@@H](CCc1ccccc1)C[NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000569212896 505879338 /nfs/dbraw/zinc/87/93/38/505879338.db2.gz YYCNXKNWXVEVAL-GOTSBHOMSA-N 2 0 352.522 3.134 20 0 FGADRP COC(=O)c1ccc(-c2nc(CN3CC[C@@H]4[C@H](CCC[N@@H+]4C)C3)co2)cc1 ZINC000248453629 497015941 /nfs/dbraw/zinc/01/59/41/497015941.db2.gz ZDAVZWUWWVOFFO-IEBWSBKVSA-N 2 0 369.465 3.044 20 0 FGADRP COc1cc(C)c([C@@H](C)[NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)cc1OC ZINC000278352605 497083939 /nfs/dbraw/zinc/08/39/39/497083939.db2.gz AWOKRJVOIIRMND-IAGOWNOFSA-N 2 0 350.503 3.164 20 0 FGADRP C[C@H](CC[NH2+]C[C@H](O)COCc1ccccc1Cl)[NH+]1CCCCC1 ZINC000569233009 505885743 /nfs/dbraw/zinc/88/57/43/505885743.db2.gz RWWZRIDDDVGKAQ-AEFFLSMTSA-N 2 0 354.922 3.072 20 0 FGADRP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)c1cc(Cl)c(N)c(Cl)c1 ZINC000270414763 497123081 /nfs/dbraw/zinc/12/30/81/497123081.db2.gz CVFKPYUJDXQPDA-JSGCOSHPSA-N 2 0 360.329 3.463 20 0 FGADRP CC1CC[NH+]([C@@H](CNC(=O)[C@@H]([NH3+])Cc2ccccc2)c2cccs2)CC1 ZINC000236651912 497127486 /nfs/dbraw/zinc/12/74/86/497127486.db2.gz ANLCWFTXGJZGPW-OALUTQOASA-N 2 0 371.550 3.207 20 0 FGADRP CC(C)[C@H]([NH3+])C(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000236756388 497141408 /nfs/dbraw/zinc/14/14/08/497141408.db2.gz ZZNXWGJCRLANFH-BHYGNILZSA-N 2 0 371.447 3.188 20 0 FGADRP CC[NH+](CC)CCN(Cc1ccccc1)C(=O)C1CC[NH+](C2CC2)CC1 ZINC000192538236 497144019 /nfs/dbraw/zinc/14/40/19/497144019.db2.gz VTYZSSHHHNNWMM-UHFFFAOYSA-N 2 0 357.542 3.231 20 0 FGADRP CC[N@H+](C)C[C@H]1CCN(C(=O)N[C@H](C[NH+](C)Cc2ccccc2)C(C)C)C1 ZINC000249042953 497152992 /nfs/dbraw/zinc/15/29/92/497152992.db2.gz VJZUVCGRUWAYAB-NHCUHLMSSA-N 2 0 374.573 3.126 20 0 FGADRP CC[NH+](CC)CCN(Cc1cccs1)C(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000236865419 497159029 /nfs/dbraw/zinc/15/90/29/497159029.db2.gz ZMIYHOULAQIHLT-AYHJJNSGSA-N 2 0 363.571 3.339 20 0 FGADRP CC[NH+](CC)CCOc1ccc(NC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000236891763 497164148 /nfs/dbraw/zinc/16/41/48/497164148.db2.gz NPPXLPRVUZDOAZ-JLYLLQBASA-N 2 0 359.514 3.266 20 0 FGADRP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)c1ccc(Br)cc1F ZINC000249177552 497179056 /nfs/dbraw/zinc/17/90/56/497179056.db2.gz GBJLAPZGWMNJIG-ZFWWWQNUSA-N 2 0 373.310 3.476 20 0 FGADRP CC(C)[NH+]1CCN(CCC[NH+]2CCC(OCC3CCCC3)CC2)CC1 ZINC000192754913 497204556 /nfs/dbraw/zinc/20/45/56/497204556.db2.gz GDQBXDCUGCBYPC-UHFFFAOYSA-N 2 0 351.579 3.074 20 0 FGADRP CC[NH+](CC)Cc1cccc(CNC(=O)N(C)CC2([NH+](C)C)CCC2)c1 ZINC000189686386 497211511 /nfs/dbraw/zinc/21/15/11/497211511.db2.gz OXVRLEUHQLGLDX-UHFFFAOYSA-N 2 0 360.546 3.154 20 0 FGADRP CSCC[C@@H]([NH3+])C(=O)NCc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000237277057 497214238 /nfs/dbraw/zinc/21/42/38/497214238.db2.gz LKYDGFHNAMITBT-HXUWFJFHSA-N 2 0 371.550 3.112 20 0 FGADRP C[C@@H](CC(=O)N(C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1)C1CC[NH2+]CC1 ZINC000237296789 497216476 /nfs/dbraw/zinc/21/64/76/497216476.db2.gz ISZUQKCLBIHTRT-GHTZIAJQSA-N 2 0 357.542 3.135 20 0 FGADRP C[N@@H+]1CCCC12CCN(C(=O)CCn1c3ccccc3nc1C1CC1)CC2 ZINC000574966484 505892884 /nfs/dbraw/zinc/89/28/84/505892884.db2.gz MJBCGUOQLZHWCI-UHFFFAOYSA-N 2 0 366.509 3.391 20 0 FGADRP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)CC1 ZINC000237455503 497239711 /nfs/dbraw/zinc/23/97/11/497239711.db2.gz GGUIHWISNRCZDY-LGYWMIHWSA-N 2 0 355.526 3.249 20 0 FGADRP CCCC[N@H+](C)C[C@H](C)NC(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000574968594 505893583 /nfs/dbraw/zinc/89/35/83/505893583.db2.gz CVSHWSLNFHKOQR-DLBZAZTESA-N 2 0 366.575 3.305 20 0 FGADRP Cc1ccccc1C[NH+]1CCC(NC(=O)[C@H](C)[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000249747304 497241985 /nfs/dbraw/zinc/24/19/85/497241985.db2.gz OMSPRCKNDICELG-QRVBRYPASA-N 2 0 357.542 3.337 20 0 FGADRP Cc1ccc(NC(=O)[C@@H](C)[C@H]([NH3+])c2ccccc2)c(OCC[NH+](C)C)c1 ZINC000237583499 497259135 /nfs/dbraw/zinc/25/91/35/497259135.db2.gz GMTXIJLOBSLNIJ-JXFKEZNVSA-N 2 0 355.482 3.210 20 0 FGADRP FC(F)(F)CN1CCC([NH2+]C[C@@H](c2ccccc2)N2CCCC2)CC1 ZINC000237856361 497302816 /nfs/dbraw/zinc/30/28/16/497302816.db2.gz NJZRXKPQTUFPQU-SFHVURJKSA-N 2 0 355.448 3.440 20 0 FGADRP [NH3+][C@@H](CCC(=O)NC[C@H](c1cccs1)[NH+]1CCCC1)c1ccccc1 ZINC000237938163 497317031 /nfs/dbraw/zinc/31/70/31/497317031.db2.gz OIBKEOMRGJSEPK-ZWKOTPCHSA-N 2 0 357.523 3.481 20 0 FGADRP CCN(CCC[NH+]1CCCC1)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000190108933 497360197 /nfs/dbraw/zinc/36/01/97/497360197.db2.gz XTAWKVOEOOTNFP-UHFFFAOYSA-N 2 0 372.557 3.300 20 0 FGADRP C[NH+](C)CC1CCN(c2ccc(NC(=O)[C@H]3CCC[N@@H+]3C3CC3)cc2)CC1 ZINC000279209921 497368628 /nfs/dbraw/zinc/36/86/28/497368628.db2.gz OZOJHDNKZOPQPO-OAQYLSRUSA-N 2 0 370.541 3.030 20 0 FGADRP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)c1cccc(OC(F)F)c1 ZINC000271537341 497376153 /nfs/dbraw/zinc/37/61/53/497376153.db2.gz SCWQHHNUHDHYRK-KKXDTOCCSA-N 2 0 354.441 3.316 20 0 FGADRP O=C(Nc1ccc(Cl)cn1)[C@@H]1CCC[N@H+](CCC[NH+]2CCCCC2)C1 ZINC000193474491 497389834 /nfs/dbraw/zinc/38/98/34/497389834.db2.gz NTCUTDUUVMJYIV-MRXNPFEDSA-N 2 0 364.921 3.262 20 0 FGADRP CC[N@@H+]1CC[C@H]([NH+](C)CCC(=O)Nc2cc(Cl)ccc2OC)[C@@H](C)C1 ZINC000245414096 497394153 /nfs/dbraw/zinc/39/41/53/497394153.db2.gz CBCSJPHYZLMAGG-YOEHRIQHSA-N 2 0 367.921 3.339 20 0 FGADRP CC[N@H+](C)C[C@H]1CC[NH+](C[C@@H](O)Cn2c3ccccc3c3ccccc32)C1 ZINC000245436384 497405181 /nfs/dbraw/zinc/40/51/81/497405181.db2.gz DHOIHUBNFVZMMF-RTBURBONSA-N 2 0 365.521 3.429 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)CC(=O)N[C@H](C)c2ccc(Cl)cc2)[C@H](C)C1 ZINC000245440521 497407827 /nfs/dbraw/zinc/40/78/27/497407827.db2.gz UOUMHKYFPZHDHS-RKVPGOIHSA-N 2 0 351.922 3.179 20 0 FGADRP C[NH+](C)CCc1ccccc1NC(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000275702924 497407839 /nfs/dbraw/zinc/40/78/39/497407839.db2.gz SYVQHEKSDTXKLO-SFHVURJKSA-N 2 0 360.527 3.277 20 0 FGADRP CCC[N@H+](C)C[C@@H]1CCN(CC(=O)N(C)[C@H](C)c2ccc(F)c(F)c2)C1 ZINC000245440735 497408575 /nfs/dbraw/zinc/40/85/75/497408575.db2.gz UVKBTPXUUFWYMA-CVEARBPZSA-N 2 0 367.484 3.148 20 0 FGADRP C[NH+](C)CCc1ccccc1NC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000275709836 497410411 /nfs/dbraw/zinc/41/04/11/497410411.db2.gz UNOIDRIYRVZBHI-GHTZIAJQSA-N 2 0 370.541 3.271 20 0 FGADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000245469074 497421515 /nfs/dbraw/zinc/42/15/15/497421515.db2.gz LLDPWCNVCBJFSH-MSOLQXFVSA-N 2 0 364.578 3.203 20 0 FGADRP C[C@H](C(=O)Nc1ccc(OCc2ccccc2)cc1)N1CC[C@@](C)(C[NH3+])C1 ZINC000261636949 497424485 /nfs/dbraw/zinc/42/44/85/497424485.db2.gz FWQBAGMOTMCDDZ-VGSWGCGISA-N 2 0 367.493 3.263 20 0 FGADRP CCOc1ccc(CN(CCCn2ccnc2)Cc2nc(C)no2)cc1 ZINC000271748971 497437284 /nfs/dbraw/zinc/43/72/84/497437284.db2.gz YBJLPECNYLWVBA-UHFFFAOYSA-N 2 0 355.442 3.066 20 0 FGADRP C[N@@H+]1CC[C@@H](NC(=O)NCCCCNc2ccccn2)[C@H]1c1ccccc1 ZINC000245610445 497472155 /nfs/dbraw/zinc/47/21/55/497472155.db2.gz BKGQTOPSRNKSTQ-UYAOXDASSA-N 2 0 367.497 3.018 20 0 FGADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CCC(=O)Nc3c(Cl)cccc3Cl)C[C@@H]21 ZINC000261928595 497477687 /nfs/dbraw/zinc/47/76/87/497477687.db2.gz SLJXGHOEALIYDJ-TYNCELHUSA-N 2 0 356.297 3.381 20 0 FGADRP CCOc1ccc([C@@H]2CCCN2C(=O)C[NH+]2CCC(CC[NH2+]C)CC2)cc1 ZINC000262007656 497490927 /nfs/dbraw/zinc/49/09/27/497490927.db2.gz SBOBLAGCZPRFLC-NRFANRHFSA-N 2 0 373.541 3.070 20 0 FGADRP Cc1ccc(O)c(C[NH2+]CCCOC2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000267169038 497495841 /nfs/dbraw/zinc/49/58/41/497495841.db2.gz HRSSEZWBHSJYEK-UHFFFAOYSA-N 2 0 369.509 3.257 20 0 FGADRP C[C@H](c1cccc(C(F)(F)F)c1)[N@H+](CCC(=O)N1CC[NH2+]CC1)C1CC1 ZINC000262048209 497498623 /nfs/dbraw/zinc/49/86/23/497498623.db2.gz IDALRFRHYVHBRC-CQSZACIVSA-N 2 0 369.431 3.053 20 0 FGADRP C[C@]1(C[N@@H+]2CCC[C@@H](Nc3cccc(Br)c3)C2)CC[NH2+]C1 ZINC000262080894 497505026 /nfs/dbraw/zinc/50/50/26/497505026.db2.gz TTZSGCKVBILMTH-SJORKVTESA-N 2 0 352.320 3.325 20 0 FGADRP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]C2CCC4(CC2)OCCO4)C3)cc1 ZINC000245729435 497519675 /nfs/dbraw/zinc/51/96/75/497519675.db2.gz PZANBLNZXQCDMJ-WKCHPHFGSA-N 2 0 356.510 3.457 20 0 FGADRP C[N@@H+]1CCCN(CCC[NH2+][C@@H]2CCc3ccc(Br)cc32)CC1 ZINC000193982072 497538635 /nfs/dbraw/zinc/53/86/35/497538635.db2.gz AEYUJFKJALJQIK-GOSISDBHSA-N 2 0 366.347 3.054 20 0 FGADRP C[C@H](C[NH2+][C@@H](C)c1cc(Br)cs1)CN1CC[NH+](C)CC1 ZINC000194024582 497551908 /nfs/dbraw/zinc/55/19/08/497551908.db2.gz GKRFPCFKIQLMAX-OLZOCXBDSA-N 2 0 360.365 3.045 20 0 FGADRP CCO[C@@H]1C[C@H]([NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)C12CCCC2 ZINC000245861264 497553153 /nfs/dbraw/zinc/55/31/53/497553153.db2.gz HVVRBFRWCZSLIJ-ZGXWSNOMSA-N 2 0 350.547 3.082 20 0 FGADRP C[NH+](C)CCCC1CCN(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)CC1 ZINC000245882370 497559444 /nfs/dbraw/zinc/55/94/44/497559444.db2.gz IIAPHRFXRSLOIY-NHCUHLMSSA-N 2 0 372.557 3.195 20 0 FGADRP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000245885042 497560374 /nfs/dbraw/zinc/56/03/74/497560374.db2.gz OKGGXUPBDZMKEO-SJLPKXTDSA-N 2 0 374.554 3.171 20 0 FGADRP C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)[C@H]3CC[NH2+][C@@H](C)C3)cc2)C1 ZINC000262467363 497561187 /nfs/dbraw/zinc/56/11/87/497561187.db2.gz WMVCSGDMOVKKFT-NTLWEQJWSA-N 2 0 357.542 3.169 20 0 FGADRP COC[C@]1(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)OCCc2ccccc21 ZINC000572209201 505914641 /nfs/dbraw/zinc/91/46/41/505914641.db2.gz QSAPTHNBAKRSLY-QHCPKHFHSA-N 2 0 372.553 3.488 20 0 FGADRP COc1ccccc1[C@@H](CNC(=O)CC1(C[NH3+])CCCCC1)[NH+]1CCCC1 ZINC000262629015 497586398 /nfs/dbraw/zinc/58/63/98/497586398.db2.gz DWOQZKXWRPHUKI-LJQANCHMSA-N 2 0 373.541 3.248 20 0 FGADRP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+]1CC[C@@H](C)[C@@H](C)C1 ZINC000245967422 497587198 /nfs/dbraw/zinc/58/71/98/497587198.db2.gz VSXAKJSMKGCLNO-CEXWTWQISA-N 2 0 357.542 3.134 20 0 FGADRP CC[NH+](CC)CCN(Cc1cccs1)C(=O)C[C@@H](C)C1CC[NH2+]CC1 ZINC000262657821 497592835 /nfs/dbraw/zinc/59/28/35/497592835.db2.gz VOAQRTJTSYUYSV-QGZVFWFLSA-N 2 0 365.587 3.444 20 0 FGADRP Cc1ccc([C@H]([NH3+])C(=O)N2CCC(C[N@@H+](C)Cc3ccccc3)CC2)cc1 ZINC000262667409 497595705 /nfs/dbraw/zinc/59/57/05/497595705.db2.gz QAXJPIBFTVVHKX-QFIPXVFZSA-N 2 0 365.521 3.365 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1ccccc1C[NH+](C)C ZINC000581132704 505917191 /nfs/dbraw/zinc/91/71/91/505917191.db2.gz MMNKSXQFBSXUPF-XMSQKQJNSA-N 2 0 365.521 3.389 20 0 FGADRP CC(C)[NH+]1CCC(O)(C[NH2+][C@@H](C)Cc2ccc(Br)cc2)CC1 ZINC000276593077 497607655 /nfs/dbraw/zinc/60/76/55/497607655.db2.gz DTRBCLHCFMWBDU-HNNXBMFYSA-N 2 0 369.347 3.205 20 0 FGADRP C[C@H]([NH2+]C[C@@H]1CN(c2ccccc2)CCO1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000578334209 505917535 /nfs/dbraw/zinc/91/75/35/505917535.db2.gz CZKOWRIZTIJJFT-CNNODRBYSA-N 2 0 357.542 3.134 20 0 FGADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)Nc3ccc(CC[NH+]4CCCCC4)cc3)[C@@H]2C1 ZINC000272390039 497615816 /nfs/dbraw/zinc/61/58/16/497615816.db2.gz ISKBOIWIFNERMF-TZIWHRDSSA-N 2 0 370.541 3.273 20 0 FGADRP COc1ccc(C[NH+]2CCC(C[NH2+]Cc3cccc(OC)n3)CC2)cc1 ZINC000190905634 497640208 /nfs/dbraw/zinc/64/02/08/497640208.db2.gz LVDCNUAVTXQNRP-UHFFFAOYSA-N 2 0 355.482 3.101 20 0 FGADRP COc1ccccc1[C@H](CNC(=O)[C@H]1CCCC[C@@]1(C)[NH3+])[NH+]1CCCCC1 ZINC000262905131 497652441 /nfs/dbraw/zinc/65/24/41/497652441.db2.gz FATLZWFZPZSCFA-XQBPLPMBSA-N 2 0 373.541 3.246 20 0 FGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+]Cc2ccc(C(F)(F)F)cc2C)CC1 ZINC000190946227 497656246 /nfs/dbraw/zinc/65/62/46/497656246.db2.gz RIXRVBLCMOSASN-OAHLLOKOSA-N 2 0 357.464 3.377 20 0 FGADRP O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000246223952 497667766 /nfs/dbraw/zinc/66/77/66/497667766.db2.gz GYXPXCQFPJNJNR-ZODLZSARSA-N 2 0 367.537 3.219 20 0 FGADRP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)N(CC[NH+](C)C)Cc1ccco1 ZINC000268049212 497667988 /nfs/dbraw/zinc/66/79/88/497667988.db2.gz ZJRDHVPKURTFOF-SFHVURJKSA-N 2 0 364.534 3.007 20 0 FGADRP C[NH+](C)CC[C@H](NC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)C(C)(C)C ZINC000246338021 497699701 /nfs/dbraw/zinc/69/97/01/497699701.db2.gz LMJAKCSICAKDOB-WDSOQIARSA-N 2 0 364.578 3.011 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NCCC[NH+](C)C2CCCCC2)[C@@H](C)C1 ZINC000246335585 497699997 /nfs/dbraw/zinc/69/99/97/497699997.db2.gz DGUCNUIKDHHUAF-HKUYNNGSSA-N 2 0 352.567 3.013 20 0 FGADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)NCCCCC[NH+]2CCCCC2)[C@@H](C)C1 ZINC000246343964 497702382 /nfs/dbraw/zinc/70/23/82/497702382.db2.gz FAFBCAOIQBRRSL-RBUKOAKNSA-N 2 0 352.567 3.014 20 0 FGADRP CC(C)COC[C@@H](O)C[NH2+]CC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000575117026 505924517 /nfs/dbraw/zinc/92/45/17/505924517.db2.gz WYVABKJZTXFHEL-IBGZPJMESA-N 2 0 368.949 3.175 20 0 FGADRP COc1ccc(OC(F)F)c(C[NH2+]CC2(SC)CC[NH+](C)CC2)c1 ZINC000569396735 505924931 /nfs/dbraw/zinc/92/49/31/505924931.db2.gz KWOKZTZKKRSFOE-UHFFFAOYSA-N 2 0 360.470 3.214 20 0 FGADRP C[C@@H]1CC[N@H+](CCOc2ccc(NC(=O)CCC3CC[NH2+]CC3)cc2)C1 ZINC000263169132 497722772 /nfs/dbraw/zinc/72/27/72/497722772.db2.gz FNADFPMSFNJZKX-QGZVFWFLSA-N 2 0 359.514 3.126 20 0 FGADRP COc1ccc(NC(=O)CC[N@@H+]2CCC[C@H]([NH+](C)C)CC2)cc1Cl ZINC000277046020 497724753 /nfs/dbraw/zinc/72/47/53/497724753.db2.gz CCEMYGMPFRUOTE-HNNXBMFYSA-N 2 0 353.894 3.093 20 0 FGADRP C[C@@H]1CC(O)C[C@H](C)[N@H+]1Cc1cccc(C[NH+]2[C@@H](C)CC(O)C[C@@H]2C)c1 ZINC000191159054 497728495 /nfs/dbraw/zinc/72/84/95/497728495.db2.gz KYCGOZJJIXMIQK-FJSYBUAGSA-N 2 0 360.542 3.154 20 0 FGADRP CCN(CCCNC(=O)N(C)[C@H]1CC[N@H+](CC)C[C@@H]1C)c1ccccc1 ZINC000246446420 497737697 /nfs/dbraw/zinc/73/76/97/497737697.db2.gz NXZLHCNLOSNCDL-ICSRJNTNSA-N 2 0 360.546 3.275 20 0 FGADRP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@H]1CCCC[C@@]1(C)[NH3+] ZINC000263263930 497745338 /nfs/dbraw/zinc/74/53/38/497745338.db2.gz RHTMMHHYOYBKMY-RZUBCFFCSA-N 2 0 357.542 3.265 20 0 FGADRP C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)[C@H]2CCCC[C@@]2(C)[NH3+])C1 ZINC000263281771 497748182 /nfs/dbraw/zinc/74/81/82/497748182.db2.gz UJSBWRCTYZCJTD-NQSCKRDGSA-N 2 0 357.542 3.442 20 0 FGADRP C[C@@H](C(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1)[C@H]([NH3+])c1ccccc1 ZINC000263286078 497750205 /nfs/dbraw/zinc/75/02/05/497750205.db2.gz UOYRAHYRBUROBF-DYXWJJEUSA-N 2 0 357.542 3.293 20 0 FGADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)C1 ZINC000246510136 497759119 /nfs/dbraw/zinc/75/91/19/497759119.db2.gz TYEGTJCSGHPTHR-WOJBJXKFSA-N 2 0 364.578 3.014 20 0 FGADRP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)C1 ZINC000246559127 497774194 /nfs/dbraw/zinc/77/41/94/497774194.db2.gz ZBDGJOLBJQTWGL-PZJWPPBQSA-N 2 0 372.557 3.243 20 0 FGADRP COc1ccc([C@H](C)[NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)cc1OC ZINC000246567069 497777251 /nfs/dbraw/zinc/77/72/51/497777251.db2.gz XNXJQTMHZPCMCP-ZYSHUDEJSA-N 2 0 362.514 3.122 20 0 FGADRP CC[C@H]([NH2+]C1CC[NH+](C(C)C)CC1)[C@H](c1ccc(C)cc1)n1cncn1 ZINC000272988238 497778411 /nfs/dbraw/zinc/77/84/11/497778411.db2.gz WFWZFRSQETZPGP-SFTDATJTSA-N 2 0 355.530 3.417 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)[C@H](C[NH3+])c1ccccc1 ZINC000246575079 497779578 /nfs/dbraw/zinc/77/95/78/497779578.db2.gz VIQOEPZTUYJIFZ-XMSQKQJNSA-N 2 0 365.521 3.420 20 0 FGADRP COc1cccc(O[C@H](C)C[NH2+][C@@H]2CCN(Cc3ccccn3)C[C@@H]2C)c1 ZINC000246877794 497818139 /nfs/dbraw/zinc/81/81/39/497818139.db2.gz DGMBJBQDAKFYIA-NJNPRVFISA-N 2 0 369.509 3.358 20 0 FGADRP CC[C@H]1CN(CC[NH+]2CCCCC2)[C@@H](CC)CN1CC[NH+]1CCCCC1 ZINC000246893917 497818985 /nfs/dbraw/zinc/81/89/85/497818985.db2.gz GQLKQQXKJAISCM-VXKWHMMOSA-N 2 0 364.622 3.133 20 0 FGADRP C[C@H](C(=O)NCCC1=CCCCC1)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246928906 497820827 /nfs/dbraw/zinc/82/08/27/497820827.db2.gz SXSXMTLYAFLUOV-LMNJBCLMSA-N 2 0 359.558 3.330 20 0 FGADRP CC[NH+]1CCN(c2ccc(C[NH2+][C@H]3CCCNc4ccccc43)cn2)CC1 ZINC000572286392 505933655 /nfs/dbraw/zinc/93/36/55/505933655.db2.gz HPSXDUIAONMFTI-NRFANRHFSA-N 2 0 365.525 3.260 20 0 FGADRP C[N@@H+]1CCC[C@@H](CNC(=O)c2coc(C[NH3+])c2)[C@@H]1c1cccc(Cl)c1 ZINC000364218687 497845113 /nfs/dbraw/zinc/84/51/13/497845113.db2.gz XBJYPFVKQAUTKS-KSSFIOAISA-N 2 0 361.873 3.205 20 0 FGADRP Cc1c(F)cccc1NC(=O)CC[NH2+]Cc1ccccc1OCC[NH+](C)C ZINC000575174654 505937107 /nfs/dbraw/zinc/93/71/07/505937107.db2.gz NAZXGYJXZKKECM-UHFFFAOYSA-N 2 0 373.472 3.193 20 0 FGADRP CCc1cccc(NC(=[NH2+])NC[C@H]2CCC[N@H+](C)[C@H]2c2cnn(C)c2)c1 ZINC000364268971 497872054 /nfs/dbraw/zinc/87/20/54/497872054.db2.gz XZVKXQABLVKFEW-VQIMIIECSA-N 2 0 354.502 3.002 20 0 FGADRP [NH3+]CC[C@@H]1CCCC[N@@H+]1CCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000578443428 505941260 /nfs/dbraw/zinc/94/12/60/505941260.db2.gz UIXBPAAZOGEYMC-NRFANRHFSA-N 2 0 365.521 3.486 20 0 FGADRP COc1ccc([C@H](C)[C@@H](C)[NH2+]CCCC[N@@H+]2CCC[C@H]2CO)cc1OC ZINC000280771750 497892954 /nfs/dbraw/zinc/89/29/54/497892954.db2.gz FDZYGPUQLYIALU-LMMKCTJWSA-N 2 0 364.530 3.022 20 0 FGADRP CCc1cccc(NC(=[NH2+])NC[C@H]2CCC[N@H+](Cc3cccnc3)C2)c1 ZINC000364393871 497936593 /nfs/dbraw/zinc/93/65/93/497936593.db2.gz UQJICVDSPYJDGG-LJQANCHMSA-N 2 0 351.498 3.492 20 0 FGADRP CC(=O)N1CCC[C@H](C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000280898725 497942365 /nfs/dbraw/zinc/94/23/65/497942365.db2.gz FPVMROPVLIMKKI-YSFYHYPLSA-N 2 0 355.526 3.030 20 0 FGADRP C[C@@H]([NH2+]Cc1ccccc1OCC[NH+](C)C)c1ccc(C(=O)N(C)C)cc1 ZINC000292360346 497985783 /nfs/dbraw/zinc/98/57/83/497985783.db2.gz YQTYZOFUPSEWNS-QGZVFWFLSA-N 2 0 369.509 3.180 20 0 FGADRP C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCC[N@@H+]2Cc2ccc(-n3ccnc3)nc2)C1 ZINC000281077392 498011538 /nfs/dbraw/zinc/01/15/38/498011538.db2.gz UFBKNOOEYUJCNG-MDNKFWRPSA-N 2 0 354.498 3.419 20 0 FGADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+]CCCCCS(C)(=O)=O)CC1 ZINC000285237172 498029834 /nfs/dbraw/zinc/02/98/34/498029834.db2.gz PMJPHEBDYZYYDM-UHFFFAOYSA-N 2 0 366.571 3.234 20 0 FGADRP O[C@@H]1CC[N@H+](Cc2ccccc2C[NH2+][C@H]2CCCc3nc(Cl)ccc32)C1 ZINC000296487759 498063797 /nfs/dbraw/zinc/06/37/97/498063797.db2.gz PKSQSEMZLGSIRZ-MJGOQNOKSA-N 2 0 371.912 3.469 20 0 FGADRP COC1CC[NH+](Cc2ccc(F)c(C[NH+]3CCC(OC)CC3)c2)CC1 ZINC000296535092 498082678 /nfs/dbraw/zinc/08/26/78/498082678.db2.gz NNOSCNCMNRSBOQ-UHFFFAOYSA-N 2 0 350.478 3.047 20 0 FGADRP C[N@H+](C[C@H](O)COc1cccc(C(F)(F)F)c1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285491046 498104606 /nfs/dbraw/zinc/10/46/06/498104606.db2.gz MBTRZHHIRKRJMD-WFVVYAPDSA-N 2 0 372.431 3.002 20 0 FGADRP Cc1ccc(C[NH+]2CC[C@@H](CN(C)C(=O)C[N@H+]3[C@H](C)CC[C@@H]3C)C2)s1 ZINC000578634070 505986203 /nfs/dbraw/zinc/98/62/03/505986203.db2.gz JNBCVCFRRIDFKY-JZXOWHBKSA-N 2 0 363.571 3.210 20 0 FGADRP C[C@H](C(=O)Nc1cccc(C(F)(F)F)c1)[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000578652727 505989825 /nfs/dbraw/zinc/98/98/25/505989825.db2.gz VSVGIAKLTFASCA-KFWWJZLASA-N 2 0 369.431 3.354 20 0 FGADRP CN(C(=O)C[NH+]1CCC(CC[NH3+])CC1)C(c1ccccc1)c1ccccc1 ZINC000572532968 505991148 /nfs/dbraw/zinc/99/11/48/505991148.db2.gz LTBMTOCJHUAQGM-UHFFFAOYSA-N 2 0 365.521 3.295 20 0 FGADRP COc1cc[nH+]c(N2CCN(c3cc(C)[nH+]c4ccc(F)cc43)CC2)c1 ZINC000301690382 498226021 /nfs/dbraw/zinc/22/60/21/498226021.db2.gz WHYAMRINDBFDGD-UHFFFAOYSA-N 2 0 352.413 3.413 20 0 FGADRP O=C(NC1CC[NH+](C2CCC2)CC1)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000296865246 498228704 /nfs/dbraw/zinc/22/87/04/498228704.db2.gz GUTAUZXZFPXVBN-OAQYLSRUSA-N 2 0 355.526 3.174 20 0 FGADRP O[C@H](C[NH2+][C@@H]1CCCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)C1CCOCC1 ZINC000286028775 498272583 /nfs/dbraw/zinc/27/25/83/498272583.db2.gz JAOVTHJKGFQEEA-MYDTUXCISA-N 2 0 372.553 3.054 20 0 FGADRP CC(=O)N1CC[C@@H]([NH2+]C[C@@H]2CCC[N@@H+](CC(C)C)C2)c2ccccc2C1 ZINC000360661593 498294193 /nfs/dbraw/zinc/29/41/93/498294193.db2.gz LEGAHGDVHCFYAU-SIKLNZKXSA-N 2 0 357.542 3.438 20 0 FGADRP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C(C)(C)n1cncn1 ZINC000289828068 498312035 /nfs/dbraw/zinc/31/20/35/498312035.db2.gz QDXUTAKOQROCEC-VOBGVNJCSA-N 2 0 353.514 3.187 20 0 FGADRP Cc1cc([C@@H]2CCCN2C[C@@H](O)C[N@@H+](C)C2CC2)ccc1Br ZINC000575840401 506014592 /nfs/dbraw/zinc/01/45/92/506014592.db2.gz REJSHFPJZMSKLO-WMZOPIPTSA-N 2 0 367.331 3.350 20 0 FGADRP c1csc(C[NH+]2CCC(N[C@H](c3ncc[nH]3)c3ccccn3)CC2)c1 ZINC000365195767 498345004 /nfs/dbraw/zinc/34/50/04/498345004.db2.gz IPKFTIQIKMLHIE-SFHVURJKSA-N 2 0 353.495 3.210 20 0 FGADRP Fc1ccc(-n2nc(C[N@@H+]3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)c3c2CCC3)cc1 ZINC000569811129 506021673 /nfs/dbraw/zinc/02/16/73/506021673.db2.gz LSLWCROXENFFBA-SJORKVTESA-N 2 0 368.500 3.322 20 0 FGADRP Cc1cc(NC(=O)c2ccc(CC[NH+](C)C)cc2)ccc1OCC[NH+](C)C ZINC000572661846 506023777 /nfs/dbraw/zinc/02/37/77/506023777.db2.gz UIPIRDPHCUDMHQ-UHFFFAOYSA-N 2 0 369.509 3.292 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H](N[C@H](C)c2ccc(OC)c(O)c2)[C@@H](C)C1 ZINC000289978540 498379205 /nfs/dbraw/zinc/37/92/05/498379205.db2.gz XSCVIMFWVTXIRP-JZXOWHBKSA-N 2 0 350.503 3.188 20 0 FGADRP CC(C)C(=O)N1CCC([NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000289984601 498381845 /nfs/dbraw/zinc/38/18/45/498381845.db2.gz YATSNUPKWJSSTL-KSEOMHKRSA-N 2 0 369.553 3.134 20 0 FGADRP [NH3+][C@@H]1CCC[C@@H](CNC(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)C1 ZINC000575898683 506029312 /nfs/dbraw/zinc/02/93/12/506029312.db2.gz YPMDJSHWTWXCFM-NHCUHLMSSA-N 2 0 372.557 3.379 20 0 FGADRP COc1ccccc1OC[C@@H](C)C[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000297359065 498419899 /nfs/dbraw/zinc/41/98/99/498419899.db2.gz FREGMSLADKKSPR-KRWDZBQOSA-N 2 0 355.482 3.364 20 0 FGADRP C[NH+]1CCN(CCC[NH2+][C@H](c2cccc(OC(F)(F)F)c2)C2CC2)CC1 ZINC000286603714 498450036 /nfs/dbraw/zinc/45/00/36/498450036.db2.gz RFUVYVATOPMFTQ-SFHVURJKSA-N 2 0 371.447 3.263 20 0 FGADRP COc1cccc2cc([C@@H](C)[NH2+][C@@H]3CCN(C4CC[NH+](C)CC4)C3)oc21 ZINC000362032476 498455950 /nfs/dbraw/zinc/45/59/50/498455950.db2.gz MPFYADRTARSRFD-NVXWUHKLSA-N 2 0 357.498 3.261 20 0 FGADRP CCOC(=O)c1ccc(C[NH2+]Cc2ccc(-n3ccnc3)nc2)cc1Cl ZINC000365435909 498465753 /nfs/dbraw/zinc/46/57/53/498465753.db2.gz JMWVJGDFAXSTDR-UHFFFAOYSA-N 2 0 370.840 3.387 20 0 FGADRP C[C@H](C[NH2+][C@@H](C)c1ccc(Oc2ccccc2)cn1)CN1CC[NH+](C)CC1 ZINC000297741219 498554292 /nfs/dbraw/zinc/55/42/92/498554292.db2.gz NXSUETTWJGFRDY-MOPGFXCFSA-N 2 0 368.525 3.408 20 0 FGADRP O=C(NCCCCC[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)OCc1ccccc1 ZINC000286949677 498565133 /nfs/dbraw/zinc/56/51/33/498565133.db2.gz BNFKVYYSOIUFIW-PMACEKPBSA-N 2 0 359.514 3.300 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccc(C(C)(F)F)cc1 ZINC000581732903 506055776 /nfs/dbraw/zinc/05/57/76/506055776.db2.gz UZXOEAPGJVGFDE-GOSISDBHSA-N 2 0 367.484 3.286 20 0 FGADRP C[C@H](NC(=O)N(C)CCC[NH+]1CCCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000282592206 498573884 /nfs/dbraw/zinc/57/38/84/498573884.db2.gz LUQOXBJIMKWFBO-FPOVZHCZSA-N 2 0 372.557 3.024 20 0 FGADRP Clc1ccc(-c2noc(CC[NH2+][C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)n2)cc1 ZINC000569957943 506056506 /nfs/dbraw/zinc/05/65/06/506056506.db2.gz XHTCURNBQFGKPI-ZACQAIPSSA-N 2 0 360.889 3.443 20 0 FGADRP CCOc1ccc(CN(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3CCOC)cc1F ZINC000294165417 498608021 /nfs/dbraw/zinc/60/80/21/498608021.db2.gz WEYKIAHGDYDQDM-JWTNVVGKSA-N 2 0 350.478 3.298 20 0 FGADRP C[C@@H](CNC(=O)NC[C@H](c1ccccc1)[NH+]1CCC(C)CC1)[N@H+](C)C1CC1 ZINC000303240092 498657204 /nfs/dbraw/zinc/65/72/04/498657204.db2.gz IZULLISGXOMYNB-GHTZIAJQSA-N 2 0 372.557 3.242 20 0 FGADRP CC(C)c1ccccc1NC(=O)[C@H](C)[NH+]1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000572859956 506070446 /nfs/dbraw/zinc/07/04/46/506070446.db2.gz VWIBJPAMVWSXTN-SCWSEQNSSA-N 2 0 373.541 3.355 20 0 FGADRP C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)[C@@H]2C[C@H]3CCCC[NH+]3C2)CC1 ZINC000363170159 498684368 /nfs/dbraw/zinc/68/43/68/498684368.db2.gz DDFLRHGCYPQEOH-FGZHOGPDSA-N 2 0 369.553 3.231 20 0 FGADRP CC(C)Oc1cccc(C[NH2+]C[C@H]2CCCN(C)[C@@H]2c2cnn(C)c2)c1 ZINC000363177734 498687801 /nfs/dbraw/zinc/68/78/01/498687801.db2.gz XUPMNTRLLSPVLK-NQIIRXRSSA-N 2 0 356.514 3.380 20 0 FGADRP CCOC(=O)[C@](C)(C[NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1ccccc1 ZINC000298181531 498687944 /nfs/dbraw/zinc/68/79/44/498687944.db2.gz VNYMXHJLGSKIIK-JOCHJYFZSA-N 2 0 367.493 3.161 20 0 FGADRP CCc1cccc(OC[C@@H](O)C[NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000312737014 498763910 /nfs/dbraw/zinc/76/39/10/498763910.db2.gz XEDVMHRWKDIIEY-YADHBBJMSA-N 2 0 368.521 3.100 20 0 FGADRP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)CCC(=O)N3CCC[C@@H]3C)C2)s1 ZINC000570098763 506090635 /nfs/dbraw/zinc/09/06/35/506090635.db2.gz WKHHPVAJVQXRTB-WMZOPIPTSA-N 2 0 363.571 3.211 20 0 FGADRP C[C@H](C[NH2+][C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@H]1C)Oc1ccccc1F ZINC000366212150 498826017 /nfs/dbraw/zinc/82/60/17/498826017.db2.gz UKNHSOXZBXVJIJ-VXIBKDFQSA-N 2 0 350.478 3.072 20 0 FGADRP OC1(CC[NH2+][C@@H]2CCCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CCOCC1 ZINC000287692512 498839278 /nfs/dbraw/zinc/83/92/78/498839278.db2.gz WTLMVABSGNTKKF-YPAWHYETSA-N 2 0 372.553 3.198 20 0 FGADRP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2COc3ccccc3O2)CCN1Cc1ccccc1 ZINC000581963267 506101010 /nfs/dbraw/zinc/10/10/10/506101010.db2.gz SWKCLSYDQYAOQP-YZGWKJHDSA-N 2 0 352.478 3.469 20 0 FGADRP CSC1(C[NH2+]Cc2ccc(C)cc2-c2cnn(C)c2)CC[NH+](C)CC1 ZINC000581972821 506103333 /nfs/dbraw/zinc/10/33/33/506103333.db2.gz IRIHRVLNCZMHMW-UHFFFAOYSA-N 2 0 358.555 3.313 20 0 FGADRP CCC[N@H+](CC)Cc1ccc(C(=O)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000576225606 506107163 /nfs/dbraw/zinc/10/71/63/506107163.db2.gz XZNYWRGEJJYJRT-SFTDATJTSA-N 2 0 357.542 3.380 20 0 FGADRP C[C@@H]([NH2+]Cc1cccc(OCC[NH+](C)C)c1)c1cccc(-n2ccnn2)c1 ZINC000287828653 498876947 /nfs/dbraw/zinc/87/69/47/498876947.db2.gz VNURHSUGLZYZSX-QGZVFWFLSA-N 2 0 365.481 3.059 20 0 FGADRP C[N@@H+]1CC[C@H](CNC(=O)[C@H]([NH3+])c2ccccc2)[C@H]1c1cccc(Cl)c1 ZINC000366332256 498878164 /nfs/dbraw/zinc/87/81/64/498878164.db2.gz YVTIRGPGCVJGTA-BHIYHBOVSA-N 2 0 357.885 3.149 20 0 FGADRP Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)[C@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC000363562133 498879885 /nfs/dbraw/zinc/87/98/85/498879885.db2.gz IZZNQRQGIMFVDT-RBUKOAKNSA-N 2 0 373.566 3.357 20 0 FGADRP CC(C)[NH+]1CCC(N2CC[NH+](CCCN(C)c3ccccc3)CC2)CC1 ZINC000576223901 506106521 /nfs/dbraw/zinc/10/65/21/506106521.db2.gz VCAJLHVMKVIIQV-UHFFFAOYSA-N 2 0 358.574 3.003 20 0 FGADRP CC[NH+]1CCN(Cc2ccccc2C[NH2+][C@H](C)c2ccnc(OC)c2)CC1 ZINC000570175816 506109041 /nfs/dbraw/zinc/10/90/41/506109041.db2.gz LZZBHJWJCNRUCS-GOSISDBHSA-N 2 0 368.525 3.079 20 0 FGADRP C[C@H]1C[C@@H](C(=O)NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccc(Cl)c2)CC[NH2+]1 ZINC000366416038 498915945 /nfs/dbraw/zinc/91/59/45/498915945.db2.gz DJUOSHBIGBGPAP-PCODUJHASA-N 2 0 363.933 3.227 20 0 FGADRP COCc1cccc(C[NH2+]CCC2CC[NH+](C3CCN(C)CC3)CC2)c1 ZINC000363660545 498929612 /nfs/dbraw/zinc/92/96/12/498929612.db2.gz FSEAPXDGGFXUDG-UHFFFAOYSA-N 2 0 359.558 3.119 20 0 FGADRP CC1CC[NH+](CCc2cccc(NC(=O)N3C[C@@H]4CC[C@@H]([NH3+])[C@@H]4C3)c2)CC1 ZINC000333198585 498932875 /nfs/dbraw/zinc/93/28/75/498932875.db2.gz WYGQFUIPLHGWOW-CEWLAPEOSA-N 2 0 370.541 3.162 20 0 FGADRP CC(C)[C@H](CNC(=O)NCc1ccc2c[nH+]cn2c1)[NH+]1CCCCCC1 ZINC000573080854 506113810 /nfs/dbraw/zinc/11/38/10/506113810.db2.gz WISJPUGTTRHIMD-IBGZPJMESA-N 2 0 357.502 3.034 20 0 FGADRP Fc1ccc([C@H]2OCC[C@@H]2[NH2+]C2CCN(c3cc[nH+]cc3)CC2)cc1F ZINC000291422623 498934350 /nfs/dbraw/zinc/93/43/50/498934350.db2.gz ICWXHUFJQAKCOL-VQTJNVASSA-N 2 0 359.420 3.448 20 0 FGADRP CC1CC[NH+](C2CCC(NC(=O)Nc3ccc4c(c3)C[NH2+]CC4)CC2)CC1 ZINC000333244260 498950932 /nfs/dbraw/zinc/95/09/32/498950932.db2.gz BMKJAUJQPZXJAM-UHFFFAOYSA-N 2 0 370.541 3.497 20 0 FGADRP CC[NH2+]CCC[NH2+][C@@H](C)c1ccc(F)c(I)c1 ZINC000576267940 506117143 /nfs/dbraw/zinc/11/71/43/506117143.db2.gz OUXICZRPWRRMOH-JTQLQIEISA-N 2 0 350.219 3.081 20 0 FGADRP COc1cc(C[NH2+][C@H]2CCOC2(C)C)cc(C[NH2+][C@H]2CCOC2(C)C)c1 ZINC000295262345 498959230 /nfs/dbraw/zinc/95/92/30/498959230.db2.gz RLACCSTYIPBUEH-OALUTQOASA-N 2 0 362.514 3.009 20 0 FGADRP COc1ccc(C[NH+]2CCC(C[NH2+]Cc3cc(F)ncc3F)CC2)cc1 ZINC000295299727 498970893 /nfs/dbraw/zinc/97/08/93/498970893.db2.gz XNXJYLZKLHLPQI-UHFFFAOYSA-N 2 0 361.436 3.370 20 0 FGADRP COc1nccc(C[NH2+]C[C@H]2CCN(C)[C@H]2c2ccc(Cl)c(F)c2)n1 ZINC000295520543 499041586 /nfs/dbraw/zinc/04/15/86/499041586.db2.gz VQKBRNDGGMSOCW-DYVFJYSZSA-N 2 0 364.852 3.060 20 0 FGADRP Cn1cc(C[NH2+]Cc2ccc(OC3CC[NH+](C)CC3)cc2)c(C(C)(C)C)n1 ZINC000284139561 499056187 /nfs/dbraw/zinc/05/61/87/499056187.db2.gz UZZHXAPURNYHCU-UHFFFAOYSA-N 2 0 370.541 3.480 20 0 FGADRP CCc1nccn1[C@@H]1CCCN(CC(=O)Nc2ccc3c(c2)CCC3)C1 ZINC000329164969 499060232 /nfs/dbraw/zinc/06/02/32/499060232.db2.gz HDPSZKMODIQLPX-LJQANCHMSA-N 2 0 352.482 3.210 20 0 FGADRP COc1cc2c(cc1F)[nH+]ccc2N1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000333751812 499070562 /nfs/dbraw/zinc/07/05/62/499070562.db2.gz ZDPFODDMIBFJDA-JXFKEZNVSA-N 2 0 359.445 3.105 20 0 FGADRP C[NH+](C)CCCOc1ccc(C[NH2+]Cc2cnc(C(C)(C)C)nc2)cc1 ZINC000284271566 499080645 /nfs/dbraw/zinc/08/06/45/499080645.db2.gz GYTITZBBUNRFNX-UHFFFAOYSA-N 2 0 356.514 3.394 20 0 FGADRP C[NH+]1CCC2(CCCN(CC(=O)Nc3ccccc3OC(F)F)C2)CC1 ZINC000366887329 499106065 /nfs/dbraw/zinc/10/60/65/499106065.db2.gz SOGQRTABOIDJMD-UHFFFAOYSA-N 2 0 367.440 3.034 20 0 FGADRP C[NH+]1CCC(Oc2ccc(C[NH2+][C@@H]3[C@@H]4CCCO[C@@H]4C3(C)C)cc2)CC1 ZINC000284451456 499109267 /nfs/dbraw/zinc/10/92/67/499109267.db2.gz UJERVRGIKLZGJE-HBMCJLEFSA-N 2 0 358.526 3.453 20 0 FGADRP Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)C[C@@H]1CCC[NH2+]CC1 ZINC000364109298 499117069 /nfs/dbraw/zinc/11/70/69/499117069.db2.gz BKKJWYACDAUEKT-QGZVFWFLSA-N 2 0 361.555 3.262 20 0 FGADRP CC1CCC([NH+]2CCC(NC(=O)N(C)[C@H]3CC[N@H+](C)C[C@H]3C)CC2)CC1 ZINC000364128209 499120979 /nfs/dbraw/zinc/12/09/79/499120979.db2.gz DATUZIIKXQTYMO-YTQPIUFNSA-N 2 0 364.578 3.011 20 0 FGADRP CCOC(=O)N1CCC([NH2+]C[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000366998043 499131455 /nfs/dbraw/zinc/13/14/55/499131455.db2.gz PHZCOKMUJFOWTN-OAQYLSRUSA-N 2 0 359.514 3.109 20 0 FGADRP C[NH+]1CCC2(CC1)C[C@H]([NH2+][C@H]1Cc3ccccc3[C@@H]1O)c1ccccc1O2 ZINC000372533024 499141586 /nfs/dbraw/zinc/14/15/86/499141586.db2.gz SCFUYKJCHCIMPF-ONTIZHBOSA-N 2 0 364.489 3.223 20 0 FGADRP Cc1ccc(C(=O)C2CC[NH+](CCCN3CC[NH+](C(C)C)CC3)CC2)cc1 ZINC000367066127 499142609 /nfs/dbraw/zinc/14/26/09/499142609.db2.gz LVLFPHQLDMARSJ-UHFFFAOYSA-N 2 0 371.569 3.306 20 0 FGADRP C(=C/C[NH2+][C@@H]1CCCC12CCOCC2)\C[NH2+][C@@H]1CCCC12CCOCC2 ZINC000367110892 499150494 /nfs/dbraw/zinc/15/04/94/499150494.db2.gz ZKJLCDLRRTXIPW-RHZFVVMASA-N 2 0 362.558 3.420 20 0 FGADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]C[C@@H]3CCC4(CCOCC4)[C@@H]3O)CC2)C1 ZINC000367127700 499152124 /nfs/dbraw/zinc/15/21/24/499152124.db2.gz VCLPBKVCUMXWRD-YXYSEUPNSA-N 2 0 364.574 3.187 20 0 FGADRP COc1ccccc1[C@H](C)NC(=O)[C@@H](C)[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000367199372 499160641 /nfs/dbraw/zinc/16/06/41/499160641.db2.gz JJSBDNGCNVMEGZ-ZWKOTPCHSA-N 2 0 373.541 3.069 20 0 FGADRP CCN(C(=O)C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1)[C@@H](C)c1ccc(F)cc1 ZINC000576346449 506136503 /nfs/dbraw/zinc/13/65/03/506136503.db2.gz OXAINAPSUHOVQD-QFBILLFUSA-N 2 0 361.505 3.057 20 0 FGADRP C[C@@H]1C[NH+](Cc2ccccc2C[NH2+][C@@H]2CCC23CCOCC3)C[C@@H](C)O1 ZINC000370312776 499208449 /nfs/dbraw/zinc/20/84/49/499208449.db2.gz BZDLGQYDINJHHA-DBXWQHBBSA-N 2 0 358.526 3.345 20 0 FGADRP OC[C@H](C[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)c1cccnc1 ZINC000367566062 499213165 /nfs/dbraw/zinc/21/31/65/499213165.db2.gz RMYHSYUCJSNJCR-MYDTUXCISA-N 2 0 365.521 3.048 20 0 FGADRP COc1ccc(-c2ccncc2)cc1C[NH2+]C[C@H]1CN2CCCC[C@H]2CO1 ZINC000370421555 499219486 /nfs/dbraw/zinc/21/94/86/499219486.db2.gz OOFYHTLHWDBFQX-SFTDATJTSA-N 2 0 367.493 3.100 20 0 FGADRP COc1ccc(Br)c(C[N@@H+]2CC[C@H](c3nccn3C)C2)c1 ZINC000367696411 499225530 /nfs/dbraw/zinc/22/55/30/499225530.db2.gz AKUHLYDKEIIZFX-LBPRGKRZSA-N 2 0 350.260 3.181 20 0 FGADRP COc1ccc([C@@H](C)[NH2+][C@H](CN2CC[NH+](C)CC2)c2ccccc2)cc1O ZINC000579295051 506138307 /nfs/dbraw/zinc/13/83/07/506138307.db2.gz IBOCDVYDIBREFD-YLJYHZDGSA-N 2 0 369.509 3.040 20 0 FGADRP COC(=O)N1CCC(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC000367709184 499226982 /nfs/dbraw/zinc/22/69/82/499226982.db2.gz RCTZNCVLLXXMQW-WKCHPHFGSA-N 2 0 371.525 3.250 20 0 FGADRP Cn1cc2c(n1)CCC[C@@H]2[NH2+]CC1CC[NH+](CCc2ccccc2)CC1 ZINC000370604278 499235038 /nfs/dbraw/zinc/23/50/38/499235038.db2.gz YRZYLWXVRFYNRY-NRFANRHFSA-N 2 0 352.526 3.342 20 0 FGADRP CC[C@@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccc(OC(F)F)cc1 ZINC000370637557 499238372 /nfs/dbraw/zinc/23/83/72/499238372.db2.gz UWEPHPWSJCSVGW-VQIMIIECSA-N 2 0 367.484 3.497 20 0 FGADRP Cc1csc(CCCC[NH2+][C@@H]2CC[N@@H+](C[C@@H]3CCCO3)C[C@H]2C)n1 ZINC000370644981 499239030 /nfs/dbraw/zinc/23/90/30/499239030.db2.gz SIAYXMMJLSERJA-BPQIPLTHSA-N 2 0 351.560 3.253 20 0 FGADRP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+]CCCC[NH+]1CCCC[C@H]1C ZINC000370671807 499242822 /nfs/dbraw/zinc/24/28/22/499242822.db2.gz YMCVWXIPUQTMEJ-MXEMCNAFSA-N 3 0 351.579 3.120 20 0 FGADRP CN(C(=O)[C@@H]([NH3+])c1ccccc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000370773918 499253335 /nfs/dbraw/zinc/25/33/35/499253335.db2.gz PUQYTQFFZSNTNB-PJEZACDQSA-N 2 0 363.505 3.340 20 0 FGADRP CC[NH+](CC)Cc1cc([C@H](C)[NH2+][C@H]2CCc3nc[nH]c3C2)ccc1OC ZINC000368100538 499264326 /nfs/dbraw/zinc/26/43/26/499264326.db2.gz HTOVSMOKMIGGOL-YJBOKZPZSA-N 2 0 356.514 3.468 20 0 FGADRP CC(C)c1ccccc1NC(=O)[C@H](C)[NH+]1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000570309913 506139223 /nfs/dbraw/zinc/13/92/23/506139223.db2.gz SBGAAOLLWKAVCW-DJPFJPOOSA-N 2 0 373.541 3.355 20 0 FGADRP Cc1cccc2c1[nH+]cc(C)c2N1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000368493306 499301455 /nfs/dbraw/zinc/30/14/55/499301455.db2.gz IBJUJKNBHODKQL-UYAOXDASSA-N 2 0 352.526 3.314 20 0 FGADRP CC(C)(C)OC(=O)NCC1CCC([NH2+]Cc2cnc3n2CCCC3)CC1 ZINC000368507135 499302845 /nfs/dbraw/zinc/30/28/45/499302845.db2.gz IFVCKHOCAOWYPR-UHFFFAOYSA-N 2 0 362.518 3.393 20 0 FGADRP [NH3+]Cc1ccc(C(=O)N2CCC[C@@H]2[C@H]2CCC[N@@H+]2Cc2ccccc2)cc1 ZINC000371271570 499304595 /nfs/dbraw/zinc/30/45/95/499304595.db2.gz SEWOJSJDRUXSBC-FGZHOGPDSA-N 2 0 363.505 3.415 20 0 FGADRP C[NH+]1CCC(Oc2ccc(C[NH2+][C@H]3CCO[C@@H](C(F)(F)F)C3)cc2)CC1 ZINC000368581702 499309968 /nfs/dbraw/zinc/30/99/68/499309968.db2.gz CFWXRDJXMOEWPJ-MAUKXSAKSA-N 2 0 372.431 3.359 20 0 FGADRP CC(C)[NH+]1CCC(NC(=O)[C@H]2CCn3c(cnc3-c3ccccc3)C2)CC1 ZINC000368599886 499312266 /nfs/dbraw/zinc/31/22/66/499312266.db2.gz FFKNAEVIPSEDRD-SFHVURJKSA-N 2 0 366.509 3.102 20 0 FGADRP COc1cc(C[N@@H+]2CCCC23CC[NH+](C)CC3)ccc1OC(=O)C1CC1 ZINC000368965803 499351472 /nfs/dbraw/zinc/35/14/72/499351472.db2.gz MDYDHENUWPAKHJ-UHFFFAOYSA-N 2 0 358.482 3.071 20 0 FGADRP CCCC(=O)Nc1ccc(C[NH2+][C@@H]2CC[N@H+](C[C@H]3CCCO3)C[C@@H]2C)cc1 ZINC000371983851 499386802 /nfs/dbraw/zinc/38/68/02/499386802.db2.gz KFKXQDYSVCITEH-IOMROCGXSA-N 2 0 373.541 3.404 20 0 FGADRP C[C@H](O)C[C@H](C[NH2+][C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@H]1C)c1ccccc1 ZINC000372056002 499394065 /nfs/dbraw/zinc/39/40/65/499394065.db2.gz XIKYBOWDIGIMNT-HVYFLLBWSA-N 2 0 360.542 3.020 20 0 FGADRP C[C@H](O)C[C@H](C[NH2+][C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@H]1C)c1ccccc1 ZINC000372056005 499394076 /nfs/dbraw/zinc/39/40/76/499394076.db2.gz XIKYBOWDIGIMNT-WQIFRTTPSA-N 2 0 360.542 3.020 20 0 FGADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)Nc1ccc(-c2ccco2)cc1F ZINC000570344790 506146085 /nfs/dbraw/zinc/14/60/85/506146085.db2.gz JDTOEWILEVNKTM-UHFFFAOYSA-N 2 0 362.449 3.043 20 0 FGADRP [NH3+]Cc1cc(C(=O)N2CCC[C@@H]2[C@@H]2CCC[N@@H+]2Cc2ccccc2)co1 ZINC000372436273 499434465 /nfs/dbraw/zinc/43/44/65/499434465.db2.gz IBTBKVRQXXVXFN-VQTJNVASSA-N 2 0 353.466 3.008 20 0 FGADRP C[NH+](C)CCCC1CC[NH+](CC(=O)N2CCC[C@@H]2c2ccsc2)CC1 ZINC000372452179 499436597 /nfs/dbraw/zinc/43/65/97/499436597.db2.gz WNNFSCWEKNZYEV-LJQANCHMSA-N 2 0 363.571 3.465 20 0 FGADRP CCOC(=O)N1CCC([C@H](C)[NH2+]C2CC[NH+](C3CCCC3)CC2)CC1 ZINC000373516088 499474461 /nfs/dbraw/zinc/47/44/61/499474461.db2.gz NKTIDKITUSSZFK-INIZCTEOSA-N 2 0 351.535 3.240 20 0 FGADRP Cc1cccc(C)c1NC(=O)[C@@H](C)N1CCC(C)(C[NH+]2CCOCC2)CC1 ZINC000378277076 499497251 /nfs/dbraw/zinc/49/72/51/499497251.db2.gz ZOWJEGOQHKYHNA-LJQANCHMSA-N 2 0 373.541 3.065 20 0 FGADRP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCC[C@@H]1[C@@H]1COCC[C@]1(C)O ZINC000375410592 499515692 /nfs/dbraw/zinc/51/56/92/499515692.db2.gz KPAIFRPFVIYNOG-XJUOHMSHSA-N 2 0 374.569 3.397 20 0 FGADRP Cc1nn(C)c(N2CCC[N@H+](C)CC2)c1C[NH2+][C@H](c1ccccc1)C1CC1 ZINC000378431812 499516141 /nfs/dbraw/zinc/51/61/41/499516141.db2.gz OUJHPASBIKXHNQ-OAQYLSRUSA-N 2 0 367.541 3.111 20 0 FGADRP C[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc(-n3ccnc3)nc2)[C@H]1c1ccccc1 ZINC000375518004 499527742 /nfs/dbraw/zinc/52/77/42/499527742.db2.gz DLMXYNNIHNGWER-IFMALSPDSA-N 2 0 361.493 3.440 20 0 FGADRP C[C@@H]([NH2+]C1CCN(C(=O)c2ccco2)CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000378568170 499532605 /nfs/dbraw/zinc/53/26/05/499532605.db2.gz JPTBJWKXWJLKLR-IAGOWNOFSA-N 2 0 359.514 3.127 20 0 FGADRP CCC[NH+]1CCN(C2CC[NH+](CCCc3ccccc3OC)CC2)CC1 ZINC000378588188 499535007 /nfs/dbraw/zinc/53/50/07/499535007.db2.gz BQAVCYPFHYMQJT-UHFFFAOYSA-N 2 0 359.558 3.120 20 0 FGADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CC[C@H](c3cn(C)c4ccccc34)C2)CC1 ZINC000375592918 499535891 /nfs/dbraw/zinc/53/58/91/499535891.db2.gz VGJPDRORYAKMOI-FQEVSTJZSA-N 2 0 368.569 3.384 20 0 FGADRP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]CCCc1ccc2c(c1)CCO2 ZINC000375628195 499539081 /nfs/dbraw/zinc/53/90/81/499539081.db2.gz MZVMOVHVRGAHKY-QMMLZNLJSA-N 2 0 358.526 3.033 20 0 FGADRP CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@H]([NH3+])CC1CCCCC1 ZINC000382724666 499546125 /nfs/dbraw/zinc/54/61/25/499546125.db2.gz RCNGBJKGQMIDAK-NHCUHLMSSA-N 2 0 357.542 3.265 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000389845318 499553152 /nfs/dbraw/zinc/55/31/52/499553152.db2.gz NEKWVQHRFYZBFZ-DUXKGJEZSA-N 2 0 351.494 3.103 20 0 FGADRP [NH3+][C@@H]1C[C@@H](NC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)c2ccccc21 ZINC000390586233 499554627 /nfs/dbraw/zinc/55/46/27/499554627.db2.gz FOMNDEZJUVGAIO-STZQEDGTSA-N 2 0 351.494 3.012 20 0 FGADRP C[C@H]([NH2+]CC1=CC[N@H+](C)CC1)c1ccc(I)cc1 ZINC000392298562 499558613 /nfs/dbraw/zinc/55/86/13/499558613.db2.gz XRSDNIREPPYBCB-LBPRGKRZSA-N 2 0 356.251 3.204 20 0 FGADRP Cc1ccccc1OC[C@H](O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000397959358 499565110 /nfs/dbraw/zinc/56/51/10/499565110.db2.gz DCWQVHBKICWDCE-FCEUIQTBSA-N 2 0 368.521 3.235 20 0 FGADRP COc1ccc(NC(=O)CN[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000397983550 499565528 /nfs/dbraw/zinc/56/55/28/499565528.db2.gz NIXHBJOYAAIERO-DYESRHJHSA-N 2 0 367.493 3.134 20 0 FGADRP Cc1cc(C)cc(OCCC[N@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)c1 ZINC000375900068 499566751 /nfs/dbraw/zinc/56/67/51/499566751.db2.gz FKRVIJQDPLZZKC-OAQYLSRUSA-N 2 0 359.558 3.173 20 0 FGADRP COc1ccc2nc(C[NH+]3CCC([C@H]4OCCC[C@H]4[NH3+])CC3)sc2c1 ZINC000582169153 506150494 /nfs/dbraw/zinc/15/04/94/506150494.db2.gz NWNHBYCKFYRWHE-DNVCBOLYSA-N 2 0 361.511 3.023 20 0 FGADRP CCCOc1ccc(C[N@@H+]2CCCN(C3CC[NH+](CC)CC3)CC2)cc1 ZINC000582174762 506151451 /nfs/dbraw/zinc/15/14/51/506151451.db2.gz XDYFGBCIKNTVLC-UHFFFAOYSA-N 2 0 359.558 3.467 20 0 FGADRP O=C(C[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)Nc1ccc(Cl)cc1 ZINC000579342288 506151670 /nfs/dbraw/zinc/15/16/70/506151670.db2.gz BPOKSPUKSNAGSE-XLIONFOSSA-N 2 0 371.868 3.124 20 0 FGADRP CC(C)(C)OC(=O)N1CCC[C@H]1[C@H]1CCC[N@H+](CCCn2ccnc2)C1 ZINC000376854113 499640940 /nfs/dbraw/zinc/64/09/40/499640940.db2.gz GWXSYMFPDRKONK-ROUUACIJSA-N 2 0 362.518 3.385 20 0 FGADRP c1ccc(CN2C[C@@H]([NH2+]CCCOC3CCOCC3)C[C@@H]2C2CC2)cc1 ZINC000376861514 499641853 /nfs/dbraw/zinc/64/18/53/499641853.db2.gz SYLJILWDBGGXDB-RBBKRZOGSA-N 2 0 358.526 3.215 20 0 FGADRP CC[NH+](CC)CCNC(=O)NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000410345533 499656408 /nfs/dbraw/zinc/65/64/08/499656408.db2.gz QGPDAAZORCGZAR-SFHVURJKSA-N 2 0 360.546 3.202 20 0 FGADRP C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)NCC[NH+]3CCCCC3)cc2)C1 ZINC000410366274 499657839 /nfs/dbraw/zinc/65/78/39/499657839.db2.gz GTOITMBXSNKISM-IBGZPJMESA-N 2 0 372.557 3.204 20 0 FGADRP Cc1ncc(CN2CC[C@H]([NH2+][C@@H]3[C@H]4CCO[C@H]4C34CCC4)[C@H](C)C2)s1 ZINC000377283563 499676555 /nfs/dbraw/zinc/67/65/55/499676555.db2.gz ROIGRMNELBVFRM-LQDZTQBFSA-N 2 0 361.555 3.209 20 0 FGADRP CC[N@H+](CCNC(=O)C1CC[NH+](Cc2ccc(Cl)s2)CC1)C1CC1 ZINC000377512715 499699284 /nfs/dbraw/zinc/69/92/84/499699284.db2.gz PIJMLQCRRCHZGV-UHFFFAOYSA-N 2 0 369.962 3.214 20 0 FGADRP c1cc(C[NH+]2CCCCC2)cc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)c1 ZINC000411173983 499706645 /nfs/dbraw/zinc/70/66/45/499706645.db2.gz RIUQYTQAZDFDTP-UHFFFAOYSA-N 3 0 371.569 3.217 20 0 FGADRP c1cc(C[N@H+]2CCC[C@@H](CN3CCOCC3)C2)ccc1C[NH+]1CCCCC1 ZINC000411263155 499718794 /nfs/dbraw/zinc/71/87/94/499718794.db2.gz SISJEZHXVJIEKE-QHCPKHFHSA-N 2 0 371.569 3.217 20 0 FGADRP O=C1C[C@H]([C@H]2CCCC[N@@H+]2Cc2cccc(C[NH+]3CCCCC3)c2)CN1 ZINC000411410104 499736372 /nfs/dbraw/zinc/73/63/72/499736372.db2.gz CIMHSECIHBRJES-LEWJYISDSA-N 2 0 355.526 3.163 20 0 FGADRP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](Cc3cnc(-c4ccccc4)s3)C2)CC1 ZINC000377832440 499740575 /nfs/dbraw/zinc/74/05/75/499740575.db2.gz RYMWQKRRMFSOAJ-LJQANCHMSA-N 2 0 370.566 3.410 20 0 FGADRP CC[NH+]1CCC(NC(=O)C[NH2+][C@@H](C)c2ccc(SC(C)C)cc2)CC1 ZINC000411465983 499744181 /nfs/dbraw/zinc/74/41/81/499744181.db2.gz PYYIPIWPPPVNNY-INIZCTEOSA-N 2 0 363.571 3.438 20 0 FGADRP CC(C)[NH+]1CCC(NC(=O)C[NH2+][C@@H](C)c2ccccc2C(F)(F)F)CC1 ZINC000411478761 499745823 /nfs/dbraw/zinc/74/58/23/499745823.db2.gz YMHWSGHVYUTCHU-AWEZNQCLSA-N 2 0 371.447 3.345 20 0 FGADRP C[N@@H+]1CC[C@@H](CNC(=O)C23CCC[NH+]2CCC3)[C@@H]1c1cccc(Cl)c1 ZINC000377899699 499746506 /nfs/dbraw/zinc/74/65/06/499746506.db2.gz FBMMINRZUIZILJ-WMZOPIPTSA-N 2 0 361.917 3.077 20 0 FGADRP C[N@@H+]1CC[C@H](CNC(=O)C23CCC[NH+]2CCC3)[C@H]1c1cccc(Cl)c1 ZINC000377899696 499746515 /nfs/dbraw/zinc/74/65/15/499746515.db2.gz FBMMINRZUIZILJ-SJLPKXTDSA-N 2 0 361.917 3.077 20 0 FGADRP CCN(C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000377908163 499747229 /nfs/dbraw/zinc/74/72/29/499747229.db2.gz RMJNUNGLSLCDLV-QIJZPMMNSA-N 2 0 357.542 3.401 20 0 FGADRP C[C@@H](CC[NH2+][C@]1(C)CCO[C@@H]1C1CC1)CC[NH2+][C@@]1(C)CCO[C@@H]1C1CC1 ZINC000411509156 499749247 /nfs/dbraw/zinc/74/92/47/499749247.db2.gz CJBPZGHYWDQTNP-CNPJFBIHSA-N 2 0 364.574 3.497 20 0 FGADRP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]CCc1nc2ccccc2c(=O)[nH]1 ZINC000411547390 499753249 /nfs/dbraw/zinc/75/32/49/499753249.db2.gz CEOQZMQZXHYLTP-SJLPKXTDSA-N 2 0 356.514 3.368 20 0 FGADRP COc1cccc2c1C[C@@H]([NH2+][C@H](C)c1cccc(OCC[NH+](C)C)c1)C2 ZINC000414173542 499765427 /nfs/dbraw/zinc/76/54/27/499765427.db2.gz FUJWWUKDXCXMOI-APWZRJJASA-N 2 0 354.494 3.454 20 0 FGADRP COc1cccc2c1C[C@H]([NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1)C2 ZINC000414173546 499765557 /nfs/dbraw/zinc/76/55/57/499765557.db2.gz FUJWWUKDXCXMOI-QFBILLFUSA-N 2 0 354.494 3.454 20 0 FGADRP CC(C)CC[C@@H]([NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1)C(C)(C)C ZINC000414179281 499766158 /nfs/dbraw/zinc/76/61/58/499766158.db2.gz AGBRJCVPVKOLSN-LJQANCHMSA-N 2 0 353.595 3.224 20 0 FGADRP Cc1ccc([C@@H]2CCC[C@H]2[NH2+]CC2(N3CCOCC3)CC[NH+](C)CC2)cc1 ZINC000414181637 499766248 /nfs/dbraw/zinc/76/62/48/499766248.db2.gz CFGGJEIWVOIKQH-FCHUYYIVSA-N 2 0 371.569 3.017 20 0 FGADRP CN1CCO[C@@H]([C@H]([NH2+]CC[C@H]2CCC[N@H+](C)C2)c2ccc(Cl)cc2)C1 ZINC000414199369 499768103 /nfs/dbraw/zinc/76/81/03/499768103.db2.gz WUPXERYPSHHHDV-NSISKUIASA-N 2 0 365.949 3.033 20 0 FGADRP C[C@@H]([NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1)c1cccc(C2CC2)c1 ZINC000414205167 499768411 /nfs/dbraw/zinc/76/84/11/499768411.db2.gz WZALXXHKZNPGRQ-GOSISDBHSA-N 2 0 357.542 3.011 20 0 FGADRP C[C@@H]1CC[C@H]([NH2+]CC2(N3CCOCC3)CC[NH+](C)CC2)c2sccc21 ZINC000414207188 499768543 /nfs/dbraw/zinc/76/85/43/499768543.db2.gz ZGUSXKSHCWIFKF-AEFFLSMTSA-N 2 0 363.571 3.073 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(C[NH2+]Cc2cnc(N(C)C)n2C)cc1 ZINC000414281377 499773782 /nfs/dbraw/zinc/77/37/82/499773782.db2.gz FVIKKELYVCVCJP-QGZVFWFLSA-N 2 0 355.530 3.150 20 0 FGADRP NC(=O)C1CC[NH+](Cc2ccc(C[NH2+][C@H]3CC[C@@H]3C3CCC3)cc2)CC1 ZINC000414335002 499778588 /nfs/dbraw/zinc/77/85/88/499778588.db2.gz HBCDTJXIQHXTGB-RTWAWAEBSA-N 2 0 355.526 3.052 20 0 FGADRP CC1=C[C@@H](C)C[C@@H](C[NH2+]Cc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)C1 ZINC000414552836 499807821 /nfs/dbraw/zinc/80/78/21/499807821.db2.gz HXPONOWKQLMZFZ-DYESRHJHSA-N 2 0 369.553 3.466 20 0 FGADRP C[C@H]1CCC[C@@H](C[NH2+]Cc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)C1 ZINC000414556170 499808257 /nfs/dbraw/zinc/80/82/57/499808257.db2.gz NTQHMINZIRIMFN-FXAWDEMLSA-N 2 0 357.542 3.300 20 0 FGADRP Cc1ccsc1C[NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000414557182 499808704 /nfs/dbraw/zinc/80/87/04/499808704.db2.gz POBOCABIRMJMGF-UHFFFAOYSA-N 2 0 357.523 3.044 20 0 FGADRP [NH3+]C[C@@H]1CC[N@H+](Cc2ccc(OC(F)(F)[C@H](F)C(F)(F)F)cc2)C1 ZINC000414662129 499818072 /nfs/dbraw/zinc/81/80/72/499818072.db2.gz YQJTVXDWAUVIPA-WCQYABFASA-N 2 0 356.310 3.339 20 0 FGADRP COC(=O)[C@@H]1CSCC[N@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000412090036 499822367 /nfs/dbraw/zinc/82/23/67/499822367.db2.gz XQDJSRSIZZRILH-IBGZPJMESA-N 2 0 362.539 3.011 20 0 FGADRP COCC[N@@H+](Cc1ccc(Br)s1)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414753808 499826709 /nfs/dbraw/zinc/82/67/09/499826709.db2.gz FEQCWPNSPINWBW-STQMWFEESA-N 2 0 361.349 3.347 20 0 FGADRP C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)c2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000412154605 499828654 /nfs/dbraw/zinc/82/86/54/499828654.db2.gz HSOXAUZLYYGREP-OAQYLSRUSA-N 2 0 369.553 3.476 20 0 FGADRP COc1ccc(C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc1Br ZINC000414780315 499830479 /nfs/dbraw/zinc/83/04/79/499830479.db2.gz LIHGHHSCXSBPND-HUUCEWRRSA-N 2 0 353.304 3.279 20 0 FGADRP FC(F)(F)c1ccc([C@H]2CCC[C@H]2[NH2+]CCCN2CC[NH2+]CC2)cc1 ZINC000414784477 499830740 /nfs/dbraw/zinc/83/07/40/499830740.db2.gz SJDXWJBHLNYDHH-QZTJIDSGSA-N 2 0 355.448 3.226 20 0 FGADRP COc1ccc(C[NH2+][C@H]2CCCC[C@H]2C[NH3+])cc1OCc1cccnc1 ZINC000414802800 499832947 /nfs/dbraw/zinc/83/29/47/499832947.db2.gz NEJLECKWFUZITO-OALUTQOASA-N 2 0 355.482 3.276 20 0 FGADRP COc1cc(C[NH2+][C@H]2CCCC[C@@H]2C[NH3+])cc(Br)c1OC ZINC000414808185 499833154 /nfs/dbraw/zinc/83/31/54/499833154.db2.gz RXTVTPRKNJBJKR-OCCSQVGLSA-N 2 0 357.292 3.073 20 0 FGADRP COc1ccc(C[NH2+][C@H](C)[C@@H]2CCC[NH2+]C2)cc1OCc1cccnc1 ZINC000414856210 499838687 /nfs/dbraw/zinc/83/86/87/499838687.db2.gz OBINOIFVHOYWNT-VQIMIIECSA-N 2 0 355.482 3.147 20 0 FGADRP c1ccc(C[N@H+]2C[C@@H]3CC[C@H](NCCC[NH2+]Cc4cccnc4)[C@@H]3C2)cc1 ZINC000414886223 499841719 /nfs/dbraw/zinc/84/17/19/499841719.db2.gz VPXHKGHEUUGAGM-ZRBLBEILSA-N 2 0 364.537 3.062 20 0 FGADRP O=C(NCC1CC[NH+](C2CC2)CC1)c1cccc(C[NH+]2CCCCC2)c1 ZINC000412292436 499841820 /nfs/dbraw/zinc/84/18/20/499841820.db2.gz MPVSXYNLOKPYSX-UHFFFAOYSA-N 2 0 355.526 3.277 20 0 FGADRP c1c(C[NH2+]CC[C@H]2CCC[NH2+]2)c(-c2cccnc2)nn1Cc1ccccc1 ZINC000414905551 499843233 /nfs/dbraw/zinc/84/32/33/499843233.db2.gz OHVHFEYRTQGVER-OAQYLSRUSA-N 2 0 361.493 3.225 20 0 FGADRP COCC1(C[NH2+]Cc2cc(C(F)(F)F)ccc2Cl)CC[NH2+]CC1 ZINC000414966396 499849745 /nfs/dbraw/zinc/84/97/45/499849745.db2.gz BSEKHTIMEBLFGL-UHFFFAOYSA-N 2 0 350.812 3.465 20 0 FGADRP C[C@@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000414976793 499850769 /nfs/dbraw/zinc/85/07/69/499850769.db2.gz QITBHZWBEWZTCU-KBPBESRZSA-N 2 0 373.419 3.424 20 0 FGADRP C[C@H](CCCC[NH3+])[NH2+]Cc1cc(Br)c2c(c1)OCCCO2 ZINC000415008709 499854555 /nfs/dbraw/zinc/85/45/55/499854555.db2.gz DMYFAYRGFLZGMD-GFCCVEGCSA-N 2 0 357.292 3.218 20 0 FGADRP Fc1ccccc1CC(Cc1ccccc1F)[NH2+]C[C@@H]1C[NH2+]CCCO1 ZINC000415034861 499856655 /nfs/dbraw/zinc/85/66/55/499856655.db2.gz IHTFOSPHMJXXHF-IBGZPJMESA-N 2 0 360.448 3.087 20 0 FGADRP COc1cc([C@@H](C)[NH2+][C@@H]2CCC[NH2+]CC2)ccc1OCc1ccncc1 ZINC000415084238 499861943 /nfs/dbraw/zinc/86/19/43/499861943.db2.gz GIRNUCIISNPVOI-VQIMIIECSA-N 2 0 355.482 3.462 20 0 FGADRP CCN1CC[C@H]([NH2+][C@H](C)C[C@@H]2CCC[NH2+]2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000415097283 499863041 /nfs/dbraw/zinc/86/30/41/499863041.db2.gz CNFFQAJCNRYMNN-MSPRAJMNSA-N 2 0 355.448 3.359 20 0 FGADRP Cc1ccc(C[NH+]2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)c(Br)c1 ZINC000415104474 499863972 /nfs/dbraw/zinc/86/39/72/499863972.db2.gz GZFUGCLJDUUCCD-QZTJIDSGSA-N 2 0 367.331 3.476 20 0 FGADRP [NH3+][C@H]1CCO[C@@H](C2CC[NH+](Cc3sccc3Br)CC2)C1 ZINC000415116630 499865713 /nfs/dbraw/zinc/86/57/13/499865713.db2.gz BSOLDCPRGMSDJX-GXTWGEPZSA-N 2 0 359.333 3.229 20 0 FGADRP CCOc1ccc(C[NH+]2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)cc1OCC ZINC000415119355 499865870 /nfs/dbraw/zinc/86/58/70/499865870.db2.gz FDXQHFIESRKZMV-ICSRJNTNSA-N 2 0 362.514 3.202 20 0 FGADRP [NH3+][C@@H]1CCO[C@@H](C2CC[NH+](Cc3ccccc3Br)CC2)C1 ZINC000415124629 499866753 /nfs/dbraw/zinc/86/67/53/499866753.db2.gz MVFOJQZLIGOGJS-NVXWUHKLSA-N 2 0 353.304 3.167 20 0 FGADRP [NH3+]Cc1cn([C@H]2CCC[N@H+](Cc3ccc(-c4ccccc4)cc3F)C2)nn1 ZINC000415131507 499868174 /nfs/dbraw/zinc/86/81/74/499868174.db2.gz SKZSAPJQOLNSJC-FQEVSTJZSA-N 2 0 365.456 3.380 20 0 FGADRP C[C@@H](C[NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1)CC1CCOCC1 ZINC000415134293 499868743 /nfs/dbraw/zinc/86/87/43/499868743.db2.gz OMKXMMLMKNEZPK-LJQANCHMSA-N 2 0 359.558 3.022 20 0 FGADRP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](Cc2ccccc2Br)CC1 ZINC000415134928 499868898 /nfs/dbraw/zinc/86/88/98/499868898.db2.gz WLJDQWUXDUEVMC-IAGOWNOFSA-N 2 0 353.304 3.167 20 0 FGADRP C[NH+](C)[C@H]1CCc2cc(NC(=O)N3CCC4(CC[NH2+]CC4)CC3)ccc21 ZINC000415794678 499919238 /nfs/dbraw/zinc/91/92/38/499919238.db2.gz VPYHBTOUKDKOQN-IBGZPJMESA-N 2 0 356.514 3.233 20 0 FGADRP C[NH2+]Cc1cccc(NC(=O)N[C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000415933755 499930098 /nfs/dbraw/zinc/93/00/98/499930098.db2.gz PXOAWKWTBPTZQK-PXNSSMCTSA-N 2 0 366.509 3.438 20 0 FGADRP C[NH2+]Cc1cccc(NC(=O)NC(C)(C)C[N@H+](C)Cc2ccccc2)c1 ZINC000415939673 499931022 /nfs/dbraw/zinc/93/10/22/499931022.db2.gz CWODCVOTRWQWLF-UHFFFAOYSA-N 2 0 354.498 3.438 20 0 FGADRP C[N@H+](Cc1ccccc1)CC(C)(C)NC(=O)Nc1ccc(OCC[NH3+])cc1 ZINC000415946559 499931911 /nfs/dbraw/zinc/93/19/11/499931911.db2.gz NSXPCEYLUKHDKK-UHFFFAOYSA-N 2 0 370.497 3.056 20 0 FGADRP C[NH+](C)CCCC1CCN(C(=O)Nc2ccc3c(c2F)CC[NH2+]C3)CC1 ZINC000415950399 499932242 /nfs/dbraw/zinc/93/22/42/499932242.db2.gz DHAXJYAYLUOHEF-UHFFFAOYSA-N 2 0 362.493 3.057 20 0 FGADRP CC(C)(C)CC[NH+]1CCN(C(=O)Nc2ccc3c(c2F)CC[NH2+]C3)CC1 ZINC000415956225 499933433 /nfs/dbraw/zinc/93/34/33/499933433.db2.gz NNGLYWMKVZYQGO-UHFFFAOYSA-N 2 0 362.493 3.057 20 0 FGADRP C[C@@H](NC(=O)Nc1ccc(C[NH3+])cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000415961632 499933976 /nfs/dbraw/zinc/93/39/76/499933976.db2.gz RURQPQGCROSXRL-VQIMIIECSA-N 2 0 352.482 3.177 20 0 FGADRP [NH3+]Cc1cc(NC(=O)N2CCC[C@@H]2C[NH+]2CCCC2)cc(C(F)(F)F)c1 ZINC000415968938 499935284 /nfs/dbraw/zinc/93/52/84/499935284.db2.gz JIROGEMMLIWHBU-MRXNPFEDSA-N 2 0 370.419 3.256 20 0 FGADRP CC[C@H]1C[N@H+](CC)CCN1C(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000415972033 499935619 /nfs/dbraw/zinc/93/56/19/499935619.db2.gz OLUANSHMAUCDBH-HNNXBMFYSA-N 2 0 358.408 3.112 20 0 FGADRP C[NH2+]Cc1ccc(NC(=O)NC(C)(C)C[N@H+](C)Cc2ccccc2)cc1 ZINC000415985775 499937668 /nfs/dbraw/zinc/93/76/68/499937668.db2.gz UBGBFUJJTYAUDV-UHFFFAOYSA-N 2 0 354.498 3.438 20 0 FGADRP C[C@H]1CCC[N@H+](CCCCNC(=O)N(CCC[NH3+])CC2CCCC2)C1 ZINC000417028727 499952174 /nfs/dbraw/zinc/95/21/74/499952174.db2.gz BSIPGPIBRZDDAL-SFHVURJKSA-N 2 0 352.567 3.049 20 0 FGADRP C[C@H](NC(=O)C[C@@H](c1ccccc1)[NH+](C)C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000416201211 499979073 /nfs/dbraw/zinc/97/90/73/499979073.db2.gz RKAWZEHNVOGROD-CUWPLCDZSA-N 2 0 357.542 3.449 20 0 FGADRP C[C@H]([NH3+])C[C@H](C)NC(=O)NCc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000570449167 506169626 /nfs/dbraw/zinc/16/96/26/506169626.db2.gz NHTRRGGJTWNOEK-IRXDYDNUSA-N 2 0 368.525 3.340 20 0 FGADRP CC[NH+]1CCN(c2ccc(C[NH2+]Cc3cccc(C4CC4)c3)cn2)CC1 ZINC000421335804 500020498 /nfs/dbraw/zinc/02/04/98/500020498.db2.gz UPIXRPNQBUQSJV-UHFFFAOYSA-N 2 0 350.510 3.391 20 0 FGADRP CC[NH+]1CCC(N2CCC[N@H+](Cc3cc(C)c(OC)c(C)c3)CC2)CC1 ZINC000421366740 500028902 /nfs/dbraw/zinc/02/89/02/500028902.db2.gz DHWBSCOHWSYGJJ-UHFFFAOYSA-N 2 0 359.558 3.304 20 0 FGADRP CC[NH+]1CCC(N2CCC[N@H+](Cc3cc4cc(OC)ccc4o3)CC2)CC1 ZINC000421369330 500029425 /nfs/dbraw/zinc/02/94/25/500029425.db2.gz HHNSMUIUSDDHNP-UHFFFAOYSA-N 2 0 371.525 3.433 20 0 FGADRP Cc1cc(Br)cn2c(C[NH2+]C3CCC([NH+](C)C)CC3)cnc12 ZINC000421374422 500030983 /nfs/dbraw/zinc/03/09/83/500030983.db2.gz OSUCBTZRLLDDIO-UHFFFAOYSA-N 2 0 365.319 3.368 20 0 FGADRP C[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)[C@@H]1C[C@H]1c1cccs1 ZINC000417332818 500042079 /nfs/dbraw/zinc/04/20/79/500042079.db2.gz XWCAGLPHCMJWPJ-BPQIPLTHSA-N 2 0 356.539 3.177 20 0 FGADRP Cc1ccc([C@H](CNC(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)[NH+]2CCCC2)cc1 ZINC000417356903 500047858 /nfs/dbraw/zinc/04/78/58/500047858.db2.gz QQAHKRGRQOJGOF-ZJOUEHCJSA-N 2 0 372.557 3.196 20 0 FGADRP O=C(NCCC[NH2+]C1CC1)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000417363029 500048943 /nfs/dbraw/zinc/04/89/43/500048943.db2.gz LDUCRFSOZCKTHM-UHFFFAOYSA-N 2 0 358.530 3.004 20 0 FGADRP CS[C@@H]1CC[C@@H]1[NH2+]Cc1cc(C(F)(F)F)ccc1N1CC[NH+](C)CC1 ZINC000425360653 500084736 /nfs/dbraw/zinc/08/47/36/500084736.db2.gz SPGZUWAVPLQICD-DOTOQJQBSA-N 2 0 373.488 3.441 20 0 FGADRP C[NH+](C)CCOc1ccc(NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)c(F)c1 ZINC000413901325 500090919 /nfs/dbraw/zinc/09/09/19/500090919.db2.gz MUOVHLKZIHIASO-LJQANCHMSA-N 2 0 363.477 3.112 20 0 FGADRP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)N[C@@H](CCC[NH3+])c1ccccc1 ZINC000417554805 500107538 /nfs/dbraw/zinc/10/75/38/500107538.db2.gz KKPXCSLHQZFKQJ-PMACEKPBSA-N 2 0 360.546 3.420 20 0 FGADRP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)c1cccc(C[NH+](C)Cc2ccccc2)c1 ZINC000421704095 500122878 /nfs/dbraw/zinc/12/28/78/500122878.db2.gz NTSODPZFQHYKQV-QFIPXVFZSA-N 2 0 365.521 3.485 20 0 FGADRP O=C(NCC[C@H]1CCC[NH2+]1)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000417631755 500131198 /nfs/dbraw/zinc/13/11/98/500131198.db2.gz XRMHSUQHWQOKFM-HXUWFJFHSA-N 2 0 358.530 3.004 20 0 FGADRP [NH3+]C[C@H](NC(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1)C1CCCCC1 ZINC000416847235 500136730 /nfs/dbraw/zinc/13/67/30/500136730.db2.gz VBADFAVWCWBVKP-IRXDYDNUSA-N 2 0 364.559 3.092 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)N1CCC[C@H]1C[NH2+]C)c1ccccc1Cl ZINC000416855230 500139083 /nfs/dbraw/zinc/13/90/83/500139083.db2.gz VTYMYEKHWQAEPQ-YJBOKZPZSA-N 2 0 366.937 3.116 20 0 FGADRP CC[C@@H]1CCC[C@@H]1[NH2+][C@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000429762967 500139495 /nfs/dbraw/zinc/13/94/95/500139495.db2.gz HEYKBVQCHAVYIY-QFUCXCTJSA-N 2 0 357.542 3.324 20 0 FGADRP C[C@H]([NH2+]CCc1ccc(OCC[NH+]2CCCC2)cc1)c1cc2n(n1)CCC2 ZINC000414092152 500151093 /nfs/dbraw/zinc/15/10/93/500151093.db2.gz DXWPGAKUCGGBLK-SFHVURJKSA-N 2 0 368.525 3.197 20 0 FGADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H](c2ccc(OC)cc2F)C(C)C)CC1 ZINC000421822666 500159738 /nfs/dbraw/zinc/15/97/38/500159738.db2.gz XQMYAXVIHNLZHF-OXJNMPFZSA-N 2 0 351.510 3.147 20 0 FGADRP C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)NCC2([NH3+])CCC2)cc1 ZINC000416964846 500168083 /nfs/dbraw/zinc/16/80/83/500168083.db2.gz TZOJRAYCCXJOOC-UHFFFAOYSA-N 2 0 366.509 3.096 20 0 FGADRP C[NH2+]C[C@H]1CCCN(C(=O)NCc2ccccc2C[N@@H+]2CCC[C@@H](C)C2)C1 ZINC000416966668 500168587 /nfs/dbraw/zinc/16/85/87/500168587.db2.gz FVCQXCROPHUIST-RTBURBONSA-N 2 0 372.557 3.060 20 0 FGADRP CC(C)[C@H]([NH3+])CNC(=O)NCc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000416968543 500169584 /nfs/dbraw/zinc/16/95/84/500169584.db2.gz YPJDTTLRUDZDJU-OAQYLSRUSA-N 2 0 368.525 3.198 20 0 FGADRP C[C@H]([NH3+])C1CCN(C(=O)NCc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)CC1 ZINC000416969113 500169610 /nfs/dbraw/zinc/16/96/10/500169610.db2.gz KEZJBEGZYFNCRP-MSOLQXFVSA-N 2 0 372.557 3.187 20 0 FGADRP C[C@H](CCCC[NH3+])NC(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000416971577 500170624 /nfs/dbraw/zinc/17/06/24/500170624.db2.gz PVYVMTRAENYAPB-QZTJIDSGSA-N 2 0 360.546 3.235 20 0 FGADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)NCCC[C@H]2CCC[NH2+]2)cc1 ZINC000416981024 500173794 /nfs/dbraw/zinc/17/37/94/500173794.db2.gz UOYDHABDMWFVMY-GHTZIAJQSA-N 2 0 372.557 3.392 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)NCCC[NH2+]C2CC2)C1 ZINC000416979494 500174092 /nfs/dbraw/zinc/17/40/92/500174092.db2.gz AENUHPJBZQQKLN-HDICACEKSA-N 2 0 372.557 3.106 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)N3CC[C@@H]([NH3+])[C@H](C)C3)cc2)C1 ZINC000417001204 500181034 /nfs/dbraw/zinc/18/10/34/500181034.db2.gz ZOHCNIMDMURZBF-BMQTXXJKSA-N 2 0 372.557 3.043 20 0 FGADRP C[NH+](C)[C@H](CNC(=O)N1CCCC[C@H]1[C@H]1CCC[NH2+]C1)C1CCCCC1 ZINC000417008041 500182670 /nfs/dbraw/zinc/18/26/70/500182670.db2.gz IBXCVQHNRFSWHR-SLFFLAALSA-N 2 0 364.578 3.061 20 0 FGADRP C[C@H]1C[C@H](NC(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)CC[N@@H+]1Cc1ccccc1 ZINC000417852488 500184491 /nfs/dbraw/zinc/18/44/91/500184491.db2.gz ZKTRXQMRZQHTIC-VNYTWHDVSA-N 2 0 372.557 3.104 20 0 FGADRP C[C@H](C[NH2+]Cc1cc(Cl)ccc1OCC1CC1)CN1CC[NH+](C)CC1 ZINC000430046873 500185434 /nfs/dbraw/zinc/18/54/34/500185434.db2.gz PXZMYQXQHABMFC-MRXNPFEDSA-N 2 0 365.949 3.102 20 0 FGADRP CC(C)C[C@H](CNC(=O)N1CC[C@H]([NH3+])[C@@H](C)C1)[NH2+][C@H](C)c1ccccc1 ZINC000417868179 500187547 /nfs/dbraw/zinc/18/75/47/500187547.db2.gz GANYJANCOYZIRZ-CUDHKJQZSA-N 2 0 360.546 3.131 20 0 FGADRP CC(C)C[C@H](CNC(=O)NCC[C@H]1CC[NH2+]C1)[NH2+][C@@H](C)c1ccccc1 ZINC000417876245 500189466 /nfs/dbraw/zinc/18/94/66/500189466.db2.gz OTFWLTMUAUBHQA-NLWGTHIKSA-N 2 0 360.546 3.051 20 0 FGADRP CC(C)C[C@@H](CNC(=O)NC1CCC([NH3+])CC1)[NH2+][C@@H](C)c1ccccc1 ZINC000417876841 500189734 /nfs/dbraw/zinc/18/97/34/500189734.db2.gz PIAZJFXGNPLBNQ-ACAXCVFMSA-N 2 0 360.546 3.321 20 0 FGADRP C[NH2+]C[C@@H]1CCCN(C(=O)NC[C@H](CC(C)C)[NH2+][C@@H](C)c2ccccc2)C1 ZINC000417881286 500190896 /nfs/dbraw/zinc/19/08/96/500190896.db2.gz TUHYVSOBFAWJCC-ZJOUEHCJSA-N 2 0 374.573 3.393 20 0 FGADRP C[NH2+]CCC1CCN(C(=O)NC2CCC([NH+]3CCC(C)CC3)CC2)CC1 ZINC000417919353 500198308 /nfs/dbraw/zinc/19/83/08/500198308.db2.gz FTPWDGSIXJLHIC-UHFFFAOYSA-N 2 0 364.578 3.061 20 0 FGADRP Cc1cc(C[NH2+]CCc2ccc(OCC[NH+]3C[C@@H](C)[C@H](C)C3)cc2)n(C)n1 ZINC000417966885 500206109 /nfs/dbraw/zinc/20/61/09/500206109.db2.gz NQXPJQHXWDBARC-QZTJIDSGSA-N 2 0 370.541 3.027 20 0 FGADRP C[C@@H](NC(=O)NCC[NH2+]C1CCCCCC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000417984297 500209209 /nfs/dbraw/zinc/20/92/09/500209209.db2.gz DGIYHYTZGLIXKE-QZTJIDSGSA-N 2 0 364.578 3.251 20 0 FGADRP C[C@@H](NC(=O)N(CCC[NH3+])Cc1ccccc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000417984133 500209404 /nfs/dbraw/zinc/20/94/04/500209404.db2.gz CRFZSDCSORMGBB-QUCCMNQESA-N 2 0 372.557 3.200 20 0 FGADRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)NCc1ccccc1C[NH+]1CCC(C)CC1 ZINC000418064985 500224492 /nfs/dbraw/zinc/22/44/92/500224492.db2.gz KJBOMIVSASHSBG-NRFANRHFSA-N 2 0 374.573 3.433 20 0 FGADRP CC1CC[NH+](Cc2ccccc2CNC(=O)NCCC[C@@H]2CCC[NH2+]2)CC1 ZINC000418071324 500225394 /nfs/dbraw/zinc/22/53/94/500225394.db2.gz VTEAXDWMOISYGB-NRFANRHFSA-N 2 0 372.557 3.250 20 0 FGADRP CC(C)[N@@H+]1CCc2nc(CN(C)C(C)(C)C[NH+]3CCCC3)sc2C1 ZINC000418136082 500235279 /nfs/dbraw/zinc/23/52/79/500235279.db2.gz AAOGPIPEURQGDB-UHFFFAOYSA-N 2 0 350.576 3.216 20 0 FGADRP CC[C@H](C)CNC(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC000422222204 500236936 /nfs/dbraw/zinc/23/69/36/500236936.db2.gz DJKVDBQEQIRNEP-WDSOQIARSA-N 2 0 352.567 3.011 20 0 FGADRP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000418150819 500237449 /nfs/dbraw/zinc/23/74/49/500237449.db2.gz DKDSQTBDGMDLHR-VQTJNVASSA-N 2 0 372.557 3.104 20 0 FGADRP C[C@@H]([NH3+])C1CCN(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)CC1 ZINC000418150122 500237526 /nfs/dbraw/zinc/23/75/26/500237526.db2.gz CDXKXLLXAUJZOS-YLJYHZDGSA-N 2 0 372.557 3.056 20 0 FGADRP C[C@H](NC(=O)N1CCCC[C@@H]1[C@H]1CCC[NH2+]C1)[C@H](c1ccccc1)[NH+](C)C ZINC000418189801 500245930 /nfs/dbraw/zinc/24/59/30/500245930.db2.gz VSUILIYSEXQCRO-MJUUVYJYSA-N 2 0 372.557 3.242 20 0 FGADRP CCc1ccc([C@H](CNC(=O)N2CC[C@@](C)(C[NH3+])C2)[NH+](CC)CC)cc1 ZINC000418222372 500251827 /nfs/dbraw/zinc/25/18/27/500251827.db2.gz WXEWWHXUEAAJDX-FPOVZHCZSA-N 2 0 360.546 3.012 20 0 FGADRP CCc1ccc([C@H](CNC(=O)N2CC[C@](C)(C[NH3+])C2)[NH+](CC)CC)cc1 ZINC000418222374 500251940 /nfs/dbraw/zinc/25/19/40/500251940.db2.gz WXEWWHXUEAAJDX-PZJWPPBQSA-N 2 0 360.546 3.012 20 0 FGADRP C[N@H+](CCC(=O)Nc1ccc(Oc2ccccc2)cc1)C1CC[NH2+]CC1 ZINC000430604819 500261664 /nfs/dbraw/zinc/26/16/64/500261664.db2.gz RKYLAPBDHVXBKJ-UHFFFAOYSA-N 2 0 353.466 3.491 20 0 FGADRP Cc1ccc([C@@H]([NH3+])C(=O)NCc2ccccc2C[NH+]2CCCCC2)cc1 ZINC000430614764 500262229 /nfs/dbraw/zinc/26/22/29/500262229.db2.gz AASOJNVXBYBNLK-OAQYLSRUSA-N 2 0 351.494 3.297 20 0 FGADRP CC(C)c1ccc([C@H]([NH3+])CNC(=O)N2CCC(CC[NH+](C)C)CC2)cc1 ZINC000418351510 500267092 /nfs/dbraw/zinc/26/70/92/500267092.db2.gz LZHNXCRUARFVHW-HXUWFJFHSA-N 2 0 360.546 3.183 20 0 FGADRP CC(C)[NH+](CCNC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H]1C)C(C)C ZINC000582319207 506186017 /nfs/dbraw/zinc/18/60/17/506186017.db2.gz JREHDZFXAJIVEK-AZUAARDMSA-N 2 0 360.546 3.067 20 0 FGADRP CC[C@@H]1CC[C@@H](C)C[C@H]1[NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000430719454 500274987 /nfs/dbraw/zinc/27/49/87/500274987.db2.gz FHGDFVWWGPRYIM-BHIYHBOVSA-N 2 0 351.579 3.418 20 0 FGADRP COc1cc(C[N@@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)ccc1OCC(F)(F)F ZINC000422564726 500275332 /nfs/dbraw/zinc/27/53/32/500275332.db2.gz WSJWJVUQLOLGDQ-YDHLFZDLSA-N 2 0 360.420 3.442 20 0 FGADRP CCN(C(=O)NCC([NH3+])(CC)CC)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000418431389 500276195 /nfs/dbraw/zinc/27/61/95/500276195.db2.gz WZGCWQIYWNABDM-HKUYNNGSSA-N 2 0 360.546 3.371 20 0 FGADRP CCCC[C@H](C[NH3+])NC(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000418471567 500280404 /nfs/dbraw/zinc/28/04/04/500280404.db2.gz RRSXSVJQNRTSJW-IRLDBZIGSA-N 2 0 372.557 3.202 20 0 FGADRP c1ccc2[nH]c(CCC[NH2+][C@@H]3C[C@]4(CC[NH2+]C4)Oc4ccccc43)nc2c1 ZINC000422699023 500287192 /nfs/dbraw/zinc/28/71/92/500287192.db2.gz CFHSYJFHMVEEKM-KNQAVFIVSA-N 2 0 362.477 3.341 20 0 FGADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]Cc1cccc(NC(=O)C2CCCCC2)c1 ZINC000422712609 500288503 /nfs/dbraw/zinc/28/85/03/500288503.db2.gz IPWWZPVCRFSADA-BEVDRBHNSA-N 2 0 359.514 3.047 20 0 FGADRP C[C@H](CC(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1)[C@H]1CCC[NH2+]C1 ZINC000430812188 500289532 /nfs/dbraw/zinc/28/95/32/500289532.db2.gz UWVZAEZGDKLESQ-NHAYFPRASA-N 2 0 363.571 3.273 20 0 FGADRP c1ccc2c(c1)O[C@@]1(CC[NH2+]C1)C[C@@H]2[NH2+]CCCCC[NH+]1CCCCC1 ZINC000422720216 500289892 /nfs/dbraw/zinc/28/98/92/500289892.db2.gz SFZBZTMXGDTTIG-UNMCSNQZSA-N 3 0 357.542 3.488 20 0 FGADRP CCOC(=O)C1([C@@H](C)[NH2+]CCc2ccccc2C(F)(F)F)CC[NH2+]CC1 ZINC000422740261 500292605 /nfs/dbraw/zinc/29/26/05/500292605.db2.gz NCHJMCBWYGQUFJ-CQSZACIVSA-N 2 0 372.431 3.159 20 0 FGADRP CC1CC[NH+](Cc2cccc(C[NH2+][C@@H]3CCOC[C@H]3[C@H]3CCC[NH2+]3)c2)CC1 ZINC000422745365 500293418 /nfs/dbraw/zinc/29/34/18/500293418.db2.gz UWVWOFBKLGIZRN-YTFSRNRJSA-N 3 0 371.569 3.165 20 0 FGADRP C[NH+](C)Cc1cc(C[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)ccc1F ZINC000422746277 500293692 /nfs/dbraw/zinc/29/36/92/500293692.db2.gz NOZZTTJKSZXAAH-UNMCSNQZSA-N 3 0 369.484 3.233 20 0 FGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+][C@@H](C)CCCC[NH3+])CC1 ZINC000422746928 500293998 /nfs/dbraw/zinc/29/39/98/500293998.db2.gz XOBIJLYGILMIIZ-DLBZAZTESA-N 3 0 350.526 3.136 20 0 FGADRP CC[C@H](C[NH2+][C@@H]1CCOC[C@@H]1[C@H](C)[NH3+])Cc1cccc(Br)c1 ZINC000422761407 500295177 /nfs/dbraw/zinc/29/51/77/500295177.db2.gz RFIHJPXLAOUVTQ-LBTBCDHLSA-N 2 0 369.347 3.360 20 0 FGADRP CCOC(=O)C1([C@@H](C)[NH2+]Cc2cccc(C(F)(F)F)c2)CC[NH2+]CC1 ZINC000422764006 500295339 /nfs/dbraw/zinc/29/53/39/500295339.db2.gz PGEQEGPFUUULJL-CYBMUJFWSA-N 2 0 358.404 3.116 20 0 FGADRP CCOC(=O)C1([C@@H](C)[NH2+]Cc2csc(-c3ccccc3)n2)CC[NH2+]CC1 ZINC000422772176 500295964 /nfs/dbraw/zinc/29/59/64/500295964.db2.gz ZAMLJICLQDPKPY-OAHLLOKOSA-N 2 0 373.522 3.221 20 0 FGADRP CCOc1cc2c(cc1C[NH2+][C@H](C)c1ccc(C[NH3+])nc1C)O[C@@H](C)C2 ZINC000422785976 500297458 /nfs/dbraw/zinc/29/74/58/500297458.db2.gz PXRRMIHTGAMASF-UONOGXRCSA-N 2 0 355.482 3.422 20 0 FGADRP CCOC(=O)C1([C@@H](C)[NH2+]C[C@@H](C)Sc2ccccc2)CC[NH2+]CC1 ZINC000422795694 500299001 /nfs/dbraw/zinc/29/90/01/500299001.db2.gz WEQVFASWRWUNBQ-HZPDHXFCSA-N 2 0 350.528 3.078 20 0 FGADRP Cc1ccc([C@H]([NH2+][C@@H](C)CCC[NH3+])c2cccc(S(C)(=O)=O)c2)cc1 ZINC000422797971 500299200 /nfs/dbraw/zinc/29/92/00/500299200.db2.gz PGQKTYCZTCCCSD-JXFKEZNVSA-N 2 0 360.523 3.205 20 0 FGADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]Cc1ccc(OCc2cccc(F)c2)cc1 ZINC000422801120 500299723 /nfs/dbraw/zinc/29/97/23/500299723.db2.gz DQRYWANNBFRTQS-JHVJFLLYSA-N 2 0 358.457 3.247 20 0 FGADRP Cc1cccc(N2CC[NH+](CCCC[NH2+][C@H](C)[C@H]3CCCC[NH2+]3)CC2)c1 ZINC000422812476 500300982 /nfs/dbraw/zinc/30/09/82/500300982.db2.gz QKYINDBXCGCPME-IFMALSPDSA-N 3 0 358.574 3.017 20 0 FGADRP Cc1cccc(Oc2cc(C[NH2+][C@@H]3CCOC[C@H]3[C@H](C)[NH3+])ccn2)c1C ZINC000422813913 500301012 /nfs/dbraw/zinc/30/10/12/500301012.db2.gz YZUAXSLOWYVLPQ-YTQUADARSA-N 2 0 355.482 3.333 20 0 FGADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]Cc1ccc(CN2CCc3ccccc32)cc1 ZINC000422811110 500301298 /nfs/dbraw/zinc/30/12/98/500301298.db2.gz OKIPEBZQDUNAPE-MTNREXPMSA-N 2 0 365.521 3.091 20 0 FGADRP [NH3+]CCC[C@H](NC(=O)N1CCCC[C@H]1[C@H]1CCC[NH2+]C1)c1ccccc1 ZINC000418671017 500305212 /nfs/dbraw/zinc/30/52/12/500305212.db2.gz LAOLRHAORYMFBV-UFYCRDLUSA-N 2 0 358.530 3.030 20 0 FGADRP Cc1cccc([C@H](C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)N2CCOCC2)c1 ZINC000422852165 500306200 /nfs/dbraw/zinc/30/62/00/500306200.db2.gz AEHFFJVAHVNKAB-AFXVXQJMSA-N 2 0 371.569 3.269 20 0 FGADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]Cc1ccc(-c2nc3ccccc3s2)o1 ZINC000422858774 500306568 /nfs/dbraw/zinc/30/65/68/500306568.db2.gz JFWLJGAOVSUCOY-AEGPPILISA-N 2 0 357.479 3.398 20 0 FGADRP COc1ccc([C@H]2CCCCCN2C(=O)C[NH+]2CCC([C@@H](C)[NH3+])CC2)cc1 ZINC000430925804 500307998 /nfs/dbraw/zinc/30/79/98/500307998.db2.gz DWWYIRMUNVTFSH-DYESRHJHSA-N 2 0 373.541 3.198 20 0 FGADRP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000573407242 506188366 /nfs/dbraw/zinc/18/83/66/506188366.db2.gz INORBAOQJZKIEN-KNQAVFIVSA-N 2 0 370.585 3.276 20 0 FGADRP C[C@@H](C[C@@H]1COCCN1)[NH2+]Cc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000422875598 500308804 /nfs/dbraw/zinc/30/88/04/500308804.db2.gz FEIUNROMUVACSW-LMVRJCEZSA-N 2 0 359.558 3.021 20 0 FGADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]Cc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000422874802 500309056 /nfs/dbraw/zinc/30/90/56/500309056.db2.gz DFDVXLDVVNJIAC-PEVTXAFISA-N 3 0 359.558 3.006 20 0 FGADRP C[C@@H]([NH3+])C1CC[NH+]([C@@H](C)C(=O)N[C@@H](C)c2cccc3ccccc32)CC1 ZINC000430935346 500309605 /nfs/dbraw/zinc/30/96/05/500309605.db2.gz POGLSMNVEYGOGL-IKGGRYGDSA-N 2 0 353.510 3.465 20 0 FGADRP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)N[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422878223 500309632 /nfs/dbraw/zinc/30/96/32/500309632.db2.gz JPVQZBSQVBDNNW-AFULGHPHSA-N 2 0 357.542 3.198 20 0 FGADRP C[C@H]([NH3+])C1CC[NH+]([C@@H](C)C(=O)N[C@@H](C)c2ccc3ccccc3c2)CC1 ZINC000430935195 500309942 /nfs/dbraw/zinc/30/99/42/500309942.db2.gz PGRPCQCLUUGNRZ-ULQDDVLXSA-N 2 0 353.510 3.465 20 0 FGADRP C[C@@H](NC(=O)N1CC(C)(C)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1)[C@H](C)[NH3+] ZINC000418711628 500310604 /nfs/dbraw/zinc/31/06/04/500310604.db2.gz WNLHCNPYIWDKRC-QKLQHJQFSA-N 2 0 372.557 3.054 20 0 FGADRP C[NH2+]C[C@@H]1CCN(CC(=O)N2CCC[C@H]2c2ccc(C(C)(C)C)cc2)C1 ZINC000430941522 500310630 /nfs/dbraw/zinc/31/06/30/500310630.db2.gz WXAXVVBPSVNJRY-PXNSSMCTSA-N 2 0 357.542 3.189 20 0 FGADRP CC1CC[NH+](CCCC[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000422887737 500310961 /nfs/dbraw/zinc/31/09/61/500310961.db2.gz ZFWBKSXVALYRJD-IRLDBZIGSA-N 3 0 357.542 3.344 20 0 FGADRP C[C@@H]1C[N@H+](CCC(=O)Nc2ccc(Oc3ccccc3)cc2)CC[C@H]1[NH3+] ZINC000430961163 500313600 /nfs/dbraw/zinc/31/36/00/500313600.db2.gz MTCUBIRLQAPCOE-OXQOHEQNSA-N 2 0 353.466 3.477 20 0 FGADRP COc1ccc(Cl)cc1N1CC[C@H]([NH2+][C@H](C)c2ccc(C[NH3+])nc2C)C1 ZINC000422901354 500313974 /nfs/dbraw/zinc/31/39/74/500313974.db2.gz BVBRREIYLJMUFM-PBHICJAKSA-N 2 0 374.916 3.440 20 0 FGADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]CCOc1ncc(C(F)(F)F)cc1Cl ZINC000422922855 500316683 /nfs/dbraw/zinc/31/66/83/500316683.db2.gz QYJNDMHLJPNNBR-OLZOCXBDSA-N 2 0 351.800 3.382 20 0 FGADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CCOc1ncc(C(F)(F)F)cc1Cl ZINC000422920839 500317168 /nfs/dbraw/zinc/31/71/68/500317168.db2.gz MXDAEABLMNUKMB-MFKMUULPSA-N 2 0 351.800 3.110 20 0 FGADRP COc1ccccc1SC[C@H](C)C[NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000422940570 500320438 /nfs/dbraw/zinc/32/04/38/500320438.db2.gz HBRYPOXSICGMPO-ZJPYXAASSA-N 2 0 364.555 3.170 20 0 FGADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]C[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000422943938 500321075 /nfs/dbraw/zinc/32/10/75/500321075.db2.gz LRQBWOBEULDYNP-VKJFTORMSA-N 2 0 366.347 3.253 20 0 FGADRP C[C@@H]1C[N@@H+](CCC2CC[NH+](CCc3ccc4c(c3)CCO4)CC2)C[C@H](C)O1 ZINC000426804080 500322626 /nfs/dbraw/zinc/32/26/26/500322626.db2.gz RSPILWNOWDUKQY-KDURUIRLSA-N 2 0 372.553 3.375 20 0 FGADRP O=C1CCCN1Cc1cccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)c1 ZINC000422958296 500323892 /nfs/dbraw/zinc/32/38/92/500323892.db2.gz PCQIGRBYTPYGJT-NJDAHSKKSA-N 2 0 355.526 3.209 20 0 FGADRP O=C(CCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1)N1CCc2ccccc21 ZINC000422961331 500324052 /nfs/dbraw/zinc/32/40/52/500324052.db2.gz YWYPJXMWCADHDW-HSALFYBXSA-N 2 0 355.526 3.256 20 0 FGADRP O=C(NCc1ccco1)c1cccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)c1 ZINC000422977477 500325891 /nfs/dbraw/zinc/32/58/91/500325891.db2.gz WUXSIHXEYSXDOI-PWRODBHTSA-N 2 0 367.493 3.220 20 0 FGADRP OCCC[C@H]([NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1ccccc1 ZINC000422979094 500326864 /nfs/dbraw/zinc/32/68/64/500326864.db2.gz LGJKPDJKDLRMIQ-VWPQPMDRSA-N 2 0 352.478 3.346 20 0 FGADRP c1ccc2c(c1)CCC[C@@H]2OCCC[NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000422984192 500327020 /nfs/dbraw/zinc/32/70/20/500327020.db2.gz XKYWRGNRXUFCKU-KJJMTIBFSA-N 2 0 358.526 3.217 20 0 FGADRP COc1ccc(COCC[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422986723 500327282 /nfs/dbraw/zinc/32/72/82/500327282.db2.gz HEPXKKYAPXLAID-UNMCSNQZSA-N 2 0 368.477 3.057 20 0 FGADRP C[C@@H](NC(=O)[C@H](C)[NH+]1CCC2(CC[NH2+]C2)CC1)c1cccc2ccccc21 ZINC000431040941 500327661 /nfs/dbraw/zinc/32/76/61/500327661.db2.gz PVTFRVTVYSUHQO-MSOLQXFVSA-N 2 0 365.521 3.481 20 0 FGADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)[C@@H](C)[C@H]([NH3+])c2ccccc2)C1 ZINC000431060884 500329812 /nfs/dbraw/zinc/32/98/12/500329812.db2.gz HEZPZEHFQJITEI-NLEAXPPASA-N 2 0 351.494 3.274 20 0 FGADRP C[C@@H]1C[C@H](CC[NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)C[N@@H+]1Cc1ccccc1 ZINC000423005956 500330635 /nfs/dbraw/zinc/33/06/35/500330635.db2.gz TVNDWDAGKCNPDK-YDXQKAQTSA-N 3 0 371.569 3.034 20 0 FGADRP c1cc(OCC[NH+]2CCCC2)ccc1CC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000423012849 500330771 /nfs/dbraw/zinc/33/07/71/500330771.db2.gz DTCYOJWDZHTOJL-DNVJHFABSA-N 3 0 371.569 3.214 20 0 FGADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C[C@@H](C)c1nc(-c2ccccc2)no1 ZINC000423018777 500331661 /nfs/dbraw/zinc/33/16/61/500331661.db2.gz ZSJIHLABNUNJHK-ZIAGYGMSSA-N 2 0 351.454 3.353 20 0 FGADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@@H](C)c1nc(-c2ccccc2)no1 ZINC000423018775 500332007 /nfs/dbraw/zinc/33/20/07/500332007.db2.gz ZSJIHLABNUNJHK-KGLIPLIRSA-N 2 0 351.454 3.353 20 0 FGADRP COc1ccc(C[C@@H](C)C[NH2+][C@H](C)c2ccc(C[NH3+])nc2C)cc1OC ZINC000423027256 500332649 /nfs/dbraw/zinc/33/26/49/500332649.db2.gz REKNKTZRXILZDV-HUUCEWRRSA-N 2 0 357.498 3.395 20 0 FGADRP COc1cc(Br)ccc1CCC[NH2+][C@H]1CC[NH2+]CC[C@H]1C ZINC000423028387 500332877 /nfs/dbraw/zinc/33/28/77/500332877.db2.gz GJFFUIHOTXMZGT-CJNGLKHVSA-N 2 0 355.320 3.368 20 0 FGADRP Fc1ccc(-c2noc(CCC[NH2+][C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)n2)cc1 ZINC000423031204 500333266 /nfs/dbraw/zinc/33/32/66/500333266.db2.gz KSQMDFRGWYCCBK-RCCFBDPRSA-N 2 0 358.461 3.319 20 0 FGADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]CC(Cc1ccccc1)Cc1ccccc1 ZINC000423046197 500334857 /nfs/dbraw/zinc/33/48/57/500334857.db2.gz FCKGVMQFDRYVNZ-NMNUPHIUSA-N 2 0 352.522 3.430 20 0 FGADRP C[C@H]([NH2+]C1CCN(C(=O)c2ccccc2C(F)(F)F)CC1)[C@H]1CCC[NH2+]1 ZINC000423056292 500336087 /nfs/dbraw/zinc/33/60/87/500336087.db2.gz XGKCMHVVARUMOZ-SUMWQHHRSA-N 2 0 369.431 3.040 20 0 FGADRP O[C@@H]1CCC[C@]1(C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)Cc1ccc(F)cc1 ZINC000423079388 500339081 /nfs/dbraw/zinc/33/90/81/500339081.db2.gz YFYGQZDNNVJACJ-PVIWCNJMSA-N 2 0 360.517 3.410 20 0 FGADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]C[C@H](OCC1CC1)c1ccc(Cl)cc1 ZINC000423099530 500341726 /nfs/dbraw/zinc/34/17/26/500341726.db2.gz FJKZHMAKFYXQET-VKOGCVSHSA-N 2 0 352.906 3.150 20 0 FGADRP CCC[N@H+](C)[C@H](CN[C@@H]1CCOC[C@@H]1[C@H](C)[NH3+])c1ccc(Cl)cc1 ZINC000423104672 500343298 /nfs/dbraw/zinc/34/32/98/500343298.db2.gz MKHNCYONXXCRCG-JEDBISTDSA-N 2 0 353.938 3.065 20 0 FGADRP COc1ccc(CC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)c(Cl)c1OC ZINC000423127282 500345856 /nfs/dbraw/zinc/34/58/56/500345856.db2.gz BTNADDHZKPRKSW-XHSDSOJGSA-N 2 0 352.906 3.410 20 0 FGADRP CCOC(=O)C1([C@H](C)[NH2+]CCc2cc3ccccc3s2)CC[NH2+]CC1 ZINC000423132304 500346529 /nfs/dbraw/zinc/34/65/29/500346529.db2.gz IXZGYZTWLMBSCI-HNNXBMFYSA-N 2 0 360.523 3.355 20 0 FGADRP C[C@@H](CCCC[NH3+])[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000423129204 500346603 /nfs/dbraw/zinc/34/66/03/500346603.db2.gz FBFRYKHWYAANLT-FPOVZHCZSA-N 3 0 359.558 3.022 20 0 FGADRP COc1ccc(CC[NH2+][C@@H](C)c2ccc(C[NH3+])nc2C)c(Cl)c1OC ZINC000423132653 500347507 /nfs/dbraw/zinc/34/75/07/500347507.db2.gz JRCLPYJIVGUNDL-LBPRGKRZSA-N 2 0 363.889 3.413 20 0 FGADRP Cc1ccc(C[C@H](CO)C[NH2+][C@@H]2CCCCC[C@@H]2[NH3+])cc1Br ZINC000423151442 500348627 /nfs/dbraw/zinc/34/86/27/500348627.db2.gz DFABDDIFTGEGAI-RYQLBKOJSA-N 2 0 369.347 3.158 20 0 FGADRP CCOC(=O)C1([C@@H](C)[NH2+]CC2(c3ccc(C)cc3C)CC2)CC[NH2+]CC1 ZINC000423148101 500348727 /nfs/dbraw/zinc/34/87/27/500348727.db2.gz UIFVOVSAFZZECS-GOSISDBHSA-N 2 0 358.526 3.246 20 0 FGADRP COc1cc(OC)c(C[C@H](C)[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)c(OC)c1 ZINC000423162175 500350050 /nfs/dbraw/zinc/35/00/50/500350050.db2.gz SWTWTFKMBQMNPY-MJXNMMHHSA-N 2 0 356.466 3.378 20 0 FGADRP Brc1cccc([C@H]([NH2+]C2CC[NH2+]CC2)C2CCOCC2)c1 ZINC000423180142 500351678 /nfs/dbraw/zinc/35/16/78/500351678.db2.gz IFFGOMYOLDRCBB-QGZVFWFLSA-N 2 0 353.304 3.258 20 0 FGADRP C[C@@H]([NH2+]CCCN1CC[NH2+]CC1)c1ccc(SCC(F)(F)F)cc1 ZINC000423175009 500351968 /nfs/dbraw/zinc/35/19/68/500351968.db2.gz COUYIGOJTCVZAK-CQSZACIVSA-N 2 0 361.477 3.287 20 0 FGADRP Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)[NH2+]CCCN1CC[NH2+]CC1 ZINC000423175942 500352094 /nfs/dbraw/zinc/35/20/94/500352094.db2.gz FUDNEMUFZSROKC-INIZCTEOSA-N 2 0 358.555 3.373 20 0 FGADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCCC[NH2+]Cc1cccnc1 ZINC000423187788 500353448 /nfs/dbraw/zinc/35/34/48/500353448.db2.gz MTMMUADAGLRAJO-UGKGYDQZSA-N 2 0 352.526 3.062 20 0 FGADRP Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)[NH2+]CCN1CC[NH2+]CC1 ZINC000423199404 500354907 /nfs/dbraw/zinc/35/49/07/500354907.db2.gz BHVBLRKJDRPYKE-ZDUSSCGKSA-N 2 0 364.946 3.328 20 0 FGADRP CC[C@@H]([NH2+]Cc1ccc([C@@H](C)[NH3+])cc1)c1ccccc1OCC(=O)N(C)C ZINC000423293389 500361685 /nfs/dbraw/zinc/36/16/85/500361685.db2.gz RETMEJBPMNJLMW-OXQOHEQNSA-N 2 0 369.509 3.414 20 0 FGADRP CC(C)[C@H](C(=O)NC[C@H](c1cccs1)[NH+]1CCC(C)CC1)[C@@H](C)[NH3+] ZINC000423311227 500363138 /nfs/dbraw/zinc/36/31/38/500363138.db2.gz SZIZUJBUPFMYQA-NUJGCVRESA-N 2 0 351.560 3.257 20 0 FGADRP C[NH+](C)[C@H](CNC(=O)C(C)(C)[C@@H]([NH3+])c1ccccc1)c1cccc(F)c1 ZINC000423315275 500363589 /nfs/dbraw/zinc/36/35/89/500363589.db2.gz ZKNKLZUPINRZNP-MOPGFXCFSA-N 2 0 357.473 3.271 20 0 FGADRP COc1ccc([C@@H]2CC[NH2+]C[C@H]2N[C@@H]2CCc3c2cccc3OC)cc1 ZINC000423319166 500364096 /nfs/dbraw/zinc/36/40/96/500364096.db2.gz CJYYBOFIBVSILD-IOMROCGXSA-N 2 0 352.478 3.426 20 0 FGADRP Brc1cccc([C@H]([NH2+]CC2=CC[NH2+]CC2)C2CCOCC2)c1 ZINC000423346381 500366313 /nfs/dbraw/zinc/36/63/13/500366313.db2.gz OVNCAXGQIATVTD-GOSISDBHSA-N 2 0 365.315 3.426 20 0 FGADRP C[C@H]([NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1cccc2ccccc21 ZINC000423403718 500370830 /nfs/dbraw/zinc/37/08/30/500370830.db2.gz ZKNDVUBIQUKUAD-KSSFIOAISA-N 2 0 351.416 3.327 20 0 FGADRP C[C@@H]1C[C@@H](N(C)C(=O)[C@H]2[NH2+]CCCC2(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000423404994 500370924 /nfs/dbraw/zinc/37/09/24/500370924.db2.gz YOWWNYQBOZVJFZ-YZGWKJHDSA-N 2 0 357.542 3.276 20 0 FGADRP COC[C@]1(CN[C@H](c2ccc(Br)cc2F)C2CC2)CCC[NH2+]1 ZINC000423408976 500371827 /nfs/dbraw/zinc/37/18/27/500371827.db2.gz BFKDKFXVRKCYTG-DLBZAZTESA-N 2 0 371.294 3.398 20 0 FGADRP COC[C@]1(C[NH2+][C@H]2CCCC[C@H]2c2ccc(OC)c(F)c2)CCC[NH2+]1 ZINC000423414842 500372639 /nfs/dbraw/zinc/37/26/39/500372639.db2.gz CPLUWTKCWWFVOW-XKGZKEIXSA-N 2 0 350.478 3.219 20 0 FGADRP C[C@@H]([NH2+][C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)c1ccc(Cl)c(Cl)c1 ZINC000423450923 500375356 /nfs/dbraw/zinc/37/53/56/500375356.db2.gz HWHUFZMFNDEISR-ONUMYQOESA-N 2 0 370.324 3.291 20 0 FGADRP C[C@@H]([NH3+])c1ccc(C(=O)N2CC[C@H](C)[N@H+](Cc3ccccc3)CC2)cc1 ZINC000423444166 500375701 /nfs/dbraw/zinc/37/57/01/500375701.db2.gz WMOPCAOCUGTMFN-ZWKOTPCHSA-N 2 0 351.494 3.443 20 0 FGADRP C[C@@H]([NH3+])[C@@H](C)[NH2+][C@H](C)CC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000423457856 500376074 /nfs/dbraw/zinc/37/60/74/500376074.db2.gz GEXZUOLCNOJGOV-OPRDCNLKSA-N 2 0 351.800 3.401 20 0 FGADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000423473762 500377581 /nfs/dbraw/zinc/37/75/81/500377581.db2.gz NYSALFQISCTVBC-VHHKXPHXSA-N 2 0 355.501 3.067 20 0 FGADRP Clc1cc2c(c(Br)c1)CC[C@@H]2NC[C@H]1C[NH2+]CCCO1 ZINC000423485281 500378128 /nfs/dbraw/zinc/37/81/28/500378128.db2.gz AYSWLYJZSADYBW-ABAIWWIYSA-N 2 0 359.695 3.058 20 0 FGADRP Fc1ccc([C@@H]([NH2+]C2CCC(N3CC[NH2+]CC3)CC2)c2ccccn2)cc1 ZINC000423505405 500380113 /nfs/dbraw/zinc/38/01/13/500380113.db2.gz HRFPPNQRRNOLKL-QETWGEEDSA-N 2 0 368.500 3.116 20 0 FGADRP COc1cccc2cc([C@H](C)[NH2+]C3CCC(N4CC[NH2+]CC4)CC3)oc21 ZINC000423507547 500380396 /nfs/dbraw/zinc/38/03/96/500380396.db2.gz JMHSAZOECDPBHD-ZLPCBKJTSA-N 2 0 357.498 3.308 20 0 FGADRP CSc1ccc([C@H](C)[NH2+]C2CCC([NH+]3CCNCC3)CC2)cc1F ZINC000423519755 500381920 /nfs/dbraw/zinc/38/19/20/500381920.db2.gz QLIXQUYPFMJFDV-OOHWJJMZSA-N 2 0 351.535 3.415 20 0 FGADRP C[C@H]([NH2+]CC1([NH3+])C2CC3CC(C2)CC1C3)c1ccc(-n2cncn2)cc1 ZINC000423531597 500383068 /nfs/dbraw/zinc/38/30/68/500383068.db2.gz SXMLVDIKAFDDKZ-CZGNGVECSA-N 2 0 351.498 3.072 20 0 FGADRP Fc1cccc(Cl)c1CN1CCC([NH2+]CCC2=CC[NH2+]CC2)CC1 ZINC000423535390 500383579 /nfs/dbraw/zinc/38/35/79/500383579.db2.gz CXFGBWARXHZOAK-UHFFFAOYSA-N 2 0 351.897 3.343 20 0 FGADRP C[C@@H](CC(=O)N1CCN([C@@H](C)c2cccc(F)c2)CC1)C1CC[NH2+]CC1 ZINC000423744493 500398041 /nfs/dbraw/zinc/39/80/41/500398041.db2.gz NZZJOAPPZZWAIZ-IRXDYDNUSA-N 2 0 361.505 3.057 20 0 FGADRP C[C@@]1([NH3+])CCCC[C@H]1C(=O)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000423753281 500399571 /nfs/dbraw/zinc/39/95/71/500399571.db2.gz XDGFYTVMEJXUOT-RBBKRZOGSA-N 2 0 357.542 3.061 20 0 FGADRP Cc1cc(C[NH+](C)C)cc(NC(=O)[C@@H]([NH3+])Cc2c[nH]c3ccccc23)c1 ZINC000423794583 500402240 /nfs/dbraw/zinc/40/22/40/500402240.db2.gz XZNUVJQRDXJVTH-IBGZPJMESA-N 2 0 350.466 3.046 20 0 FGADRP CC[N@H+](Cc1ccc(C(=O)N2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cc1)C1CC1 ZINC000423957649 500424451 /nfs/dbraw/zinc/42/44/51/500424451.db2.gz AULNIBMPEGENIA-PZJWPPBQSA-N 2 0 355.526 3.275 20 0 FGADRP CC[NH+](CC)[C@@H](C(=O)N1CC[C@H]([NH3+])[C@@H]1C)c1cccc(C(F)(F)F)c1 ZINC000423978346 500428746 /nfs/dbraw/zinc/42/87/46/500428746.db2.gz LTGLNJROWHEQEE-VBNZEHGJSA-N 2 0 357.420 3.036 20 0 FGADRP O=C(N[C@@H]1CCC[N@H+](CC[C@H]2CC[NH2+]C2)C1)c1ccc2ccccc2c1 ZINC000420295018 500435926 /nfs/dbraw/zinc/43/59/26/500435926.db2.gz BUBDXPDCJUEEHC-DYESRHJHSA-N 2 0 351.494 3.034 20 0 FGADRP CC[N@H+](Cc1ccc(C(=O)N2CC[NH2+]C[C@H]2c2ccccc2)cc1)C1CC1 ZINC000424011811 500436112 /nfs/dbraw/zinc/43/61/12/500436112.db2.gz ZFJDIPPBCIMXHI-QFIPXVFZSA-N 2 0 363.505 3.458 20 0 FGADRP C[NH2+]C1CCN(Cc2ccnc(-c3ccc(Br)cc3)n2)CC1 ZINC000420300588 500436702 /nfs/dbraw/zinc/43/67/02/500436702.db2.gz UXYBQSPKYNWHGJ-UHFFFAOYSA-N 2 0 361.287 3.090 20 0 FGADRP Cc1c(Cl)cccc1C(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000424020244 500437532 /nfs/dbraw/zinc/43/75/32/500437532.db2.gz OOJHNIQTLDGDJD-UHFFFAOYSA-N 2 0 371.912 3.372 20 0 FGADRP COc1ccc([C@H](C[NH3+])C[N@@H+]2CCC[C@@H](C(=O)Nc3ccccc3)C2)cc1 ZINC000420302904 500437703 /nfs/dbraw/zinc/43/77/03/500437703.db2.gz JYIICFWVYQBYNW-RTBURBONSA-N 2 0 367.493 3.088 20 0 FGADRP CC(C)(C(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1)C1CCCC1 ZINC000424018450 500437965 /nfs/dbraw/zinc/43/79/65/500437965.db2.gz IRTDCQNKVAQQEW-UHFFFAOYSA-N 2 0 357.542 3.313 20 0 FGADRP CC(C)CC1(C(=O)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)CCC1 ZINC000424024632 500438520 /nfs/dbraw/zinc/43/85/20/500438520.db2.gz XFTISDLSFMXLPP-UHFFFAOYSA-N 2 0 357.542 3.313 20 0 FGADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H]1CCCc2ncc(C(F)(F)F)cc21 ZINC000427871574 500441441 /nfs/dbraw/zinc/44/14/41/500441441.db2.gz WHOPNXIGQRGZJM-KBXCAEBGSA-N 2 0 370.463 3.093 20 0 FGADRP COc1ccc([C@@H](C[NH3+])C[N@@H+](Cc2ccccc2)C[C@H]2CCCO2)cc1 ZINC000420323898 500442066 /nfs/dbraw/zinc/44/20/66/500442066.db2.gz UOSQXGXLYAYHCZ-RBBKRZOGSA-N 2 0 354.494 3.419 20 0 FGADRP CC[C@@H]1c2ccsc2CCN1C(=O)C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000420344673 500445245 /nfs/dbraw/zinc/44/52/45/500445245.db2.gz UORREGAJLKXWDP-ZWKOTPCHSA-N 2 0 361.555 3.048 20 0 FGADRP O=C(CC[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1)N[C@H]1CCCc2ccccc21 ZINC000420344944 500445455 /nfs/dbraw/zinc/44/54/55/500445455.db2.gz VCFRFFNXVVLNQH-SFTDATJTSA-N 2 0 355.526 3.034 20 0 FGADRP C[C@H](c1ccc(Cl)cc1)N(C)C(=O)CN1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000420378530 500451100 /nfs/dbraw/zinc/45/11/00/500451100.db2.gz BFLTZNKJUSAGKQ-SZVBFZGTSA-N 2 0 363.933 3.323 20 0 FGADRP [NH3+][C@H]1CCO[C@H](C2CC[NH+](CCOc3cccc4ccccc43)CC2)C1 ZINC000420381344 500452123 /nfs/dbraw/zinc/45/21/23/500452123.db2.gz CITMPYOVZCXORH-UGKGYDQZSA-N 2 0 354.494 3.437 20 0 FGADRP COc1ccc([C@H](C[NH3+])C[NH2+][C@H](c2ccc3c(c2)OCCO3)C2CC2)cc1 ZINC000420412095 500457516 /nfs/dbraw/zinc/45/75/16/500457516.db2.gz SBTHXRJAZKSNKB-GCJKJVERSA-N 2 0 368.477 3.250 20 0 FGADRP [NH3+][C@@H](CCC(=O)NCC1CCN(c2cc[nH+]cc2)CC1)CC1CCCCC1 ZINC000424179397 500463958 /nfs/dbraw/zinc/46/39/58/500463958.db2.gz YVYNGIYNUMPBOY-FQEVSTJZSA-N 2 0 372.557 3.492 20 0 FGADRP CC[NH+]1CCN(Cc2ccc(C[NH2+][C@H]3C[C@@H]4C[C@H](OC)C[C@@H]4C3)cc2)CC1 ZINC000424270936 500478931 /nfs/dbraw/zinc/47/89/31/500478931.db2.gz RFNWJKABGSNPOQ-YSVGVQOKSA-N 2 0 371.569 3.117 20 0 FGADRP C[C@@H]1CC2(C[N@@H+]1[C@@H]1CCN(c3ccc(Cl)c(F)c3)C1=O)CC[NH2+]CC2 ZINC000424287028 500481831 /nfs/dbraw/zinc/48/18/31/500481831.db2.gz IFDGZFLLFPDBCT-CXAGYDPISA-N 2 0 365.880 3.048 20 0 FGADRP O[C@H](C[NH2+][C@@H]1CCCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)COCC1CC1 ZINC000428244201 500486470 /nfs/dbraw/zinc/48/64/70/500486470.db2.gz XWZMXPFEQAJYSW-GSPCLOLRSA-N 2 0 372.553 3.054 20 0 FGADRP C[NH+](C)C1CCN(CC[NH2+][C@@H](Cc2ccncc2)c2cccs2)CC1 ZINC000424327316 500487032 /nfs/dbraw/zinc/48/70/32/500487032.db2.gz YXTDWQCYGCUGJU-IBGZPJMESA-N 2 0 358.555 3.043 20 0 FGADRP [NH3+][C@@H]1CCCC[C@H]1[NH2+]CCC(=O)N[C@H](c1cccs1)c1ccccc1 ZINC000424341238 500488864 /nfs/dbraw/zinc/48/88/64/500488864.db2.gz ZNRNZUBQFKQFRX-HLIPFELVSA-N 2 0 357.523 3.203 20 0 FGADRP C[C@@H]1[C@H](NC(=O)N(C)CC[C@@H]2CCCC[NH+]2C)CC[N@@H+]1Cc1ccccc1 ZINC000576612353 506198752 /nfs/dbraw/zinc/19/87/52/506198752.db2.gz JOXXKBGDTKYQDM-HLAWJBBLSA-N 2 0 372.557 3.165 20 0 FGADRP CC(C)COc1cccc(C[NH+]2CCC(n3ncc4c3C[NH2+]C4)CC2)c1 ZINC000424378833 500493997 /nfs/dbraw/zinc/49/39/97/500493997.db2.gz NZHNJGBMWIBVFT-UHFFFAOYSA-N 2 0 354.498 3.358 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)NC1CCC([NH+](C)C)CC1)c1ccccc1 ZINC000420770440 500497045 /nfs/dbraw/zinc/49/70/45/500497045.db2.gz KEIYLTPHEWARGX-SOAGJPPSSA-N 2 0 360.546 3.242 20 0 FGADRP CN(C[C@H]1CCC[N@@H+]1C)C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000420775075 500498142 /nfs/dbraw/zinc/49/81/42/500498142.db2.gz BLOZZZPVGSCIEH-OAQYLSRUSA-N 2 0 372.557 3.298 20 0 FGADRP CN(C[C@H]1CCC[N@@H+]1C)C(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000420780812 500499357 /nfs/dbraw/zinc/49/93/57/500499357.db2.gz QMVQOXOPIRYVJL-OAQYLSRUSA-N 2 0 372.557 3.298 20 0 FGADRP Cc1cc(Br)ccc1C[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000432364642 500505666 /nfs/dbraw/zinc/50/56/66/500505666.db2.gz KRUGGIWPYLGOBR-OAHLLOKOSA-N 2 0 355.320 3.348 20 0 FGADRP Cc1cc(C[NH3+])cc(NC(=O)N[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)c1 ZINC000424439140 500505906 /nfs/dbraw/zinc/50/59/06/500505906.db2.gz REWNTOFNAUQFBB-OXQOHEQNSA-N 2 0 352.482 3.238 20 0 FGADRP CN(C/C=C/c1ccc(F)cc1)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000428432758 500509604 /nfs/dbraw/zinc/50/96/04/500509604.db2.gz RAUWEEFKDIHQDS-QNBZTBGESA-N 2 0 354.469 3.408 20 0 FGADRP CCNC(=O)C(C)(C)C[NH2+][C@@H]1CCCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000428457948 500512848 /nfs/dbraw/zinc/51/28/48/500512848.db2.gz IAJUZXYAETXXGG-PWRODBHTSA-N 2 0 371.569 3.429 20 0 FGADRP CCCC[N@H+](C)CC1CC[NH+](Cc2ccc(CN3CCOCC3)cc2)CC1 ZINC000420899939 500526023 /nfs/dbraw/zinc/52/60/23/500526023.db2.gz GZEASIZSWVAIIW-UHFFFAOYSA-N 2 0 373.585 3.463 20 0 FGADRP CC[NH+](CC)[C@H](C(=O)N[C@@H]1CC[NH2+]C[C@@H]1C)c1cccc(C(F)(F)F)c1 ZINC000432521627 500526851 /nfs/dbraw/zinc/52/68/51/500526851.db2.gz ZCJGENYQPLCINZ-XKQJLSEDSA-N 2 0 371.447 3.203 20 0 FGADRP Cc1n[nH]c(C)c1[C@@H]1CCC[N@@H+]1Cc1ccc(CN2CCOCC2)cc1 ZINC000420956369 500540258 /nfs/dbraw/zinc/54/02/58/500540258.db2.gz ZKVSWTJRAUSWBN-FQEVSTJZSA-N 2 0 354.498 3.196 20 0 FGADRP [NH3+][C@@H]1CCCC[C@@H]1CC(=O)Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1 ZINC000573482084 506201688 /nfs/dbraw/zinc/20/16/88/506201688.db2.gz FDTVDSXEMGPWIQ-WIYYLYMNSA-N 2 0 370.541 3.065 20 0 FGADRP CCC[N@H+](CC)Cc1ccc(C(=O)N2CCC[C@@H]3C[NH+](C)CC[C@@H]32)cc1 ZINC000428706501 500546560 /nfs/dbraw/zinc/54/65/60/500546560.db2.gz ARGPFUIRRURBIU-RTWAWAEBSA-N 2 0 357.542 3.475 20 0 FGADRP O=C(NC[C@H]1CCC[N@H+](CCC23CC4CC(CC(C4)C2)C3)C1)[C@@H]1CCC[NH2+]1 ZINC000582400594 506202567 /nfs/dbraw/zinc/20/25/67/506202567.db2.gz OHDSWCKYGRSFPL-JGSZGBJESA-N 2 0 373.585 3.173 20 0 FGADRP CC[NH+](CC)C[C@H]1CCCC[C@@H]1NC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000442236826 500573782 /nfs/dbraw/zinc/57/37/82/500573782.db2.gz LRYMFTJFZICDRY-NBDWZHNGSA-N 2 0 366.594 3.307 20 0 FGADRP Cc1ccccc1C[C@@H](C)[N@H+](C)CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000447406894 500601727 /nfs/dbraw/zinc/60/17/27/500601727.db2.gz XSUXBZRIIQSORV-DENIHFKCSA-N 2 0 367.537 3.277 20 0 FGADRP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+][C@@H]2CCOC4(CCOCC4)C2)C3)cc1 ZINC000447589080 500630353 /nfs/dbraw/zinc/63/03/53/500630353.db2.gz WWEWCFQJZGAWSL-YUMYIRISSA-N 2 0 370.537 3.500 20 0 FGADRP [NH3+]C1CC[NH+](CCCC(=O)N2CCCC[C@H]2c2cc3ccccc3[nH]2)CC1 ZINC000433130960 500632094 /nfs/dbraw/zinc/63/20/94/500632094.db2.gz TVVWFEXURIJWOP-NRFANRHFSA-N 2 0 368.525 3.425 20 0 FGADRP [NH3+]C1CC[NH+](CCCC(=O)N[C@@H](Cc2ccccc2)c2ccccc2)CC1 ZINC000433129067 500632301 /nfs/dbraw/zinc/63/23/01/500632301.db2.gz YEZOVYOLOJWYLL-QFIPXVFZSA-N 2 0 365.521 3.290 20 0 FGADRP C[C@@H](NC(=O)CCC[NH+]1CCC([NH3+])CC1)c1ccccc1C(F)(F)F ZINC000433144975 500634511 /nfs/dbraw/zinc/63/45/11/500634511.db2.gz OOWCYULNLULVKQ-CYBMUJFWSA-N 2 0 357.420 3.086 20 0 FGADRP [NH3+]C1CC[NH+](CCCC(=O)NCCc2cccc(-c3ccccc3)c2)CC1 ZINC000433150808 500635024 /nfs/dbraw/zinc/63/50/24/500635024.db2.gz GXKAVSNTRXJCDQ-UHFFFAOYSA-N 2 0 365.521 3.216 20 0 FGADRP [NH3+]C1CC[NH+](CCCC(=O)Nc2ccc(Oc3ccccc3)nc2)CC1 ZINC000433155583 500636121 /nfs/dbraw/zinc/63/61/21/500636121.db2.gz YFUIWQMVZGBJOE-UHFFFAOYSA-N 2 0 354.454 3.016 20 0 FGADRP CCOc1ccc([C@@H](C)[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)cc1OCC ZINC000442870614 500637032 /nfs/dbraw/zinc/63/70/32/500637032.db2.gz GGZSIQMLIQTPTK-QGZVFWFLSA-N 2 0 363.546 3.161 20 0 FGADRP C[C@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)c1cccc(OC(F)(F)F)c1 ZINC000442873702 500637753 /nfs/dbraw/zinc/63/77/53/500637753.db2.gz LCJPWXVNIWRKDU-AWEZNQCLSA-N 2 0 359.436 3.262 20 0 FGADRP COc1ccc([C@@H]([NH2+]CCN2CC[N@H+](C)C(C)(C)C2)c2ccccc2)cc1 ZINC000442875989 500637802 /nfs/dbraw/zinc/63/78/02/500637802.db2.gz QEDCACJLWPSRLY-QFIPXVFZSA-N 2 0 367.537 3.400 20 0 FGADRP COc1ccc2oc([C@@H](C)[NH2+]CCN3CC[N@H+](C)C(C)(C)C3)c(C)c2c1 ZINC000442879524 500638879 /nfs/dbraw/zinc/63/88/79/500638879.db2.gz WNLFBWLHUIHDTJ-MRXNPFEDSA-N 2 0 359.514 3.426 20 0 FGADRP CC(C)[NH+]1CCC(NC(=O)[C@@]23CCC[C@@H]2C[N@H+](Cc2ccccc2)C3)CC1 ZINC000442902272 500644255 /nfs/dbraw/zinc/64/42/55/500644255.db2.gz QCEDQSSMOGMXME-NFBKMPQASA-N 2 0 369.553 3.278 20 0 FGADRP [NH3+]CC[C@@H]1CCC[N@H+](Cc2cn(-c3ccc(Cl)c(Cl)c3)nn2)C1 ZINC000442917701 500646576 /nfs/dbraw/zinc/64/65/76/500646576.db2.gz BEJVPYCEIBIUGB-LBPRGKRZSA-N 2 0 354.285 3.135 20 0 FGADRP [NH3+]CC[C@@H]1CCC[N@H+](Cc2cn(-c3ccccc3)nc2-c2cccnc2)C1 ZINC000442926089 500648244 /nfs/dbraw/zinc/64/82/44/500648244.db2.gz XQPDYCLRAAUYNH-SFHVURJKSA-N 2 0 361.493 3.495 20 0 FGADRP COc1ccc(Cn2nc(C)c(C[N@@H+]3CCC[C@@H](CC[NH3+])C3)c2C)cc1 ZINC000442925695 500648477 /nfs/dbraw/zinc/64/84/77/500648477.db2.gz WENJHRRQSQOCAE-SFHVURJKSA-N 2 0 356.514 3.118 20 0 FGADRP C[NH+](C)CCOc1ccc(NC(=O)C[C@H](c2ccccc2)[NH+](C)C)cc1 ZINC000433314853 500670130 /nfs/dbraw/zinc/67/01/30/500670130.db2.gz CAGMWOLJFLVRNW-HXUWFJFHSA-N 2 0 355.482 3.259 20 0 FGADRP C[C@@H]1C[NH+](CCOc2ccc(CC[NH2+]CC[C@H]3CCOC3)cc2)C[C@H]1C ZINC000437776308 500693658 /nfs/dbraw/zinc/69/36/58/500693658.db2.gz PDEXMSJZURTRKU-SBHAEUEKSA-N 2 0 360.542 3.212 20 0 FGADRP Cc1ccc([C@@H](CNC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)[NH+]2CCCC2)cc1 ZINC000443242216 500700748 /nfs/dbraw/zinc/70/07/48/500700748.db2.gz UUFCWWBYYKRYDA-AZUAARDMSA-N 2 0 374.573 3.407 20 0 FGADRP O=C(NC[C@H]1CCC[N@@H+]1C1CCCCC1)NC[C@@H]1CCCC[NH+]1C1CC1 ZINC000437864114 500708730 /nfs/dbraw/zinc/70/87/30/500708730.db2.gz IGGOZGWSUVTAQR-VQTJNVASSA-N 2 0 362.562 3.100 20 0 FGADRP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)C1 ZINC000433567998 500713855 /nfs/dbraw/zinc/71/38/55/500713855.db2.gz KBKBNRZABGUDDW-QWFCFKBJSA-N 2 0 364.578 3.061 20 0 FGADRP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)NC[C@@H](C)[NH+](C)Cc2ccccc2)C1 ZINC000448211733 500733501 /nfs/dbraw/zinc/73/35/01/500733501.db2.gz DYTZEUHWDNXQKD-CTNGQTDRSA-N 2 0 374.573 3.174 20 0 FGADRP C[N@H+](CC[C@@H]1CCCC[NH+]1C)C[C@H](O)Cc1ccccc1C(F)(F)F ZINC000443615082 500745596 /nfs/dbraw/zinc/74/55/96/500745596.db2.gz HZJRPSZVZMPZAA-DLBZAZTESA-N 2 0 358.448 3.415 20 0 FGADRP CCCN(CCC[NH+](C)C)C(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000438318538 500769025 /nfs/dbraw/zinc/76/90/25/500769025.db2.gz DRPZNIWJPQCUAB-LJQANCHMSA-N 2 0 352.567 3.157 20 0 FGADRP CC[N@H+](Cc1ccc(C(=O)N2[C@@H]3CC[C@H]2C[NH+](CC)CC3)cc1)C1CC1 ZINC000434056525 500788459 /nfs/dbraw/zinc/78/84/59/500788459.db2.gz HXFCHZDAVXIWGN-RTWAWAEBSA-N 2 0 355.526 3.370 20 0 FGADRP O=C(CC[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1)Nc1cc(F)cc(F)c1 ZINC000444226571 500820201 /nfs/dbraw/zinc/82/02/01/500820201.db2.gz PJPLEUWJTYXZQN-SFHVURJKSA-N 2 0 351.441 3.244 20 0 FGADRP O=C([C@@H]1C[C@]12CC[NH2+]C2)N1CC[N@H+](Cc2ccccc2)C2(CCCCC2)C1 ZINC000444265576 500826593 /nfs/dbraw/zinc/82/65/93/500826593.db2.gz AYEBPTJGPCZNRD-UNMCSNQZSA-N 2 0 367.537 3.033 20 0 FGADRP CC[NH+]1CCN([C@@H](C)C[NH2+]C2CC[NH+](C(C)(C)CC(C)(C)C)CC2)CC1 ZINC000449079779 500919681 /nfs/dbraw/zinc/91/96/81/500919681.db2.gz PXUUIJZSSCYCSJ-IBGZPJMESA-N 3 0 366.638 3.281 20 0 FGADRP CCn1nnc(C)c1C[NH2+]Cc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000449081080 500919696 /nfs/dbraw/zinc/91/96/96/500919696.db2.gz BPKGLZAPEWIPEI-CALCHBBNSA-N 2 0 355.530 3.374 20 0 FGADRP COCC1CCC([NH2+]CCCC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000449092250 500922957 /nfs/dbraw/zinc/92/29/57/500922957.db2.gz SUHHWRRSIGCFIC-UHFFFAOYSA-N 2 0 359.558 3.384 20 0 FGADRP CC[NH+](CC)CCOc1ccc(C[NH2+][C@@H]2C[C@H](C)O[C@H]2C)cc1OC ZINC000449090674 500923060 /nfs/dbraw/zinc/92/30/60/500923060.db2.gz ODMZWSKZILFMCY-XYJFISCASA-N 2 0 350.503 3.071 20 0 FGADRP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]CCNC(=O)c2ccccc2)CC1 ZINC000449098597 500925144 /nfs/dbraw/zinc/92/51/44/500925144.db2.gz KATCISCPQWUWCN-IBGZPJMESA-N 2 0 365.521 3.102 20 0 FGADRP C[C@H](Cc1ccoc1)[NH2+]Cc1cccc(OCC[N@H+](C)C2CCOCC2)c1 ZINC000449115337 500928927 /nfs/dbraw/zinc/92/89/27/500928927.db2.gz HCAMQHOBWQPOBL-GOSISDBHSA-N 2 0 372.509 3.490 20 0 FGADRP NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+][C@@H]2CC[C@H](c3ccc(Cl)cc3)C2)C1 ZINC000449134131 500932492 /nfs/dbraw/zinc/93/24/92/500932492.db2.gz HCKWGUKNUXZBNY-YQVWRLOYSA-N 2 0 363.933 3.153 20 0 FGADRP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@@H]2CCO[C@@]3(CCOC3)C2)CC1 ZINC000449201458 500946828 /nfs/dbraw/zinc/94/68/28/500946828.db2.gz HBBBIKMPQHLDAH-QIJUGHKUSA-N 2 0 358.526 3.010 20 0 FGADRP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]CCc2cn3c(n2)SCC3)CC1 ZINC000449254628 500958865 /nfs/dbraw/zinc/95/88/65/500958865.db2.gz ZLEIIECKKIUQAF-KRWDZBQOSA-N 2 0 370.566 3.217 20 0 FGADRP Cc1nn(-c2ccc(F)cc2F)c(C)c1C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000435380480 500963938 /nfs/dbraw/zinc/96/39/38/500963938.db2.gz NZVHMNUDRCIDMI-UCLAIMLFSA-N 2 0 360.452 3.327 20 0 FGADRP C[C@H](Cc1ccccc1)[NH+]1CCC([N@H+](C)CCCNC(=O)C2CCC2)CC1 ZINC000449282636 500965965 /nfs/dbraw/zinc/96/59/65/500965965.db2.gz IJNWCWXCPZEZPR-LJQANCHMSA-N 2 0 371.569 3.320 20 0 FGADRP Cc1nn(Cc2ccccc2Cl)c(C)c1C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000435387029 500966147 /nfs/dbraw/zinc/96/61/47/500966147.db2.gz WKCDPZPPVMIYGQ-QKYXUNIQSA-N 2 0 358.917 3.371 20 0 FGADRP COc1ccc([C@@H](C)C[N@H+](Cc2nccn2C)[C@H]2CC23CC[NH2+]CC3)cc1 ZINC000435432065 500974758 /nfs/dbraw/zinc/97/47/58/500974758.db2.gz LJUTZNVMFRIMJH-PXNSSMCTSA-N 2 0 368.525 3.177 20 0 FGADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC000440115665 500976399 /nfs/dbraw/zinc/97/63/99/500976399.db2.gz BPQAJQFTNIWCFY-YFVAEKQCSA-N 2 0 355.526 3.345 20 0 FGADRP Cc1cc(C[NH+]2CCC(OCCN3C[C@@H](C)O[C@@H](C)C3)CC2)cs1 ZINC000449325565 500977805 /nfs/dbraw/zinc/97/78/05/500977805.db2.gz NOEPJGAZUQWDQQ-IYBDPMFKSA-N 2 0 352.544 3.147 20 0 FGADRP CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)N(C)CC[C@H]1CCCC[NH+]1C ZINC000440171715 500983744 /nfs/dbraw/zinc/98/37/44/500983744.db2.gz BJIBQKZUIBXWJW-MOPGFXCFSA-N 2 0 352.567 3.013 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@@H]2CCCC[NH+]2CC(C)C)C[C@H]1C ZINC000440185767 500985176 /nfs/dbraw/zinc/98/51/76/500985176.db2.gz LACZOBMNIDPUIR-QYZOEREBSA-N 2 0 352.567 3.011 20 0 FGADRP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]C[C@@H](O)Cc2cccc(F)c2)CC1 ZINC000449363707 500987795 /nfs/dbraw/zinc/98/77/95/500987795.db2.gz QIKQUMZNLOYUOK-JPYJTQIMSA-N 2 0 370.512 3.414 20 0 FGADRP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]C2CCC(CS(C)(=O)=O)CC2)CC1 ZINC000449369135 500988145 /nfs/dbraw/zinc/98/81/45/500988145.db2.gz BBRJMZQPCMPSSD-CKVGWXAMSA-N 2 0 370.603 3.223 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N(CC[NH+](C)C)C(C)C)c1ccsc1 ZINC000440220890 500988594 /nfs/dbraw/zinc/98/85/94/500988594.db2.gz XLHIQGWZKRMMAN-QGZVFWFLSA-N 2 0 354.564 3.113 20 0 FGADRP CC[C@H](NC(=O)CN(CC)[C@@H]1CCC[NH2+]CC1)c1ccc(Cl)cc1 ZINC000435628652 501004771 /nfs/dbraw/zinc/00/47/71/501004771.db2.gz VOZFBAXPCFTJCI-MSOLQXFVSA-N 2 0 351.922 3.371 20 0 FGADRP CNC(=O)c1cccc(C[N@H+](Cc2ccsc2)[C@H]2CC23CC[NH2+]CC3)c1 ZINC000435684653 501011459 /nfs/dbraw/zinc/01/14/59/501011459.db2.gz WBVWWRCFKBBXJG-IBGZPJMESA-N 2 0 369.534 3.252 20 0 FGADRP CCC[NH+]1CCN(c2ccccc2C[N@@H+]2CC[C@H](OCC)[C@H](C)C2)CC1 ZINC000449491489 501015782 /nfs/dbraw/zinc/01/57/82/501015782.db2.gz HCCWTKQUPVYVAK-KNQAVFIVSA-N 2 0 359.558 3.466 20 0 FGADRP Cc1ncsc1C[N@H+](CCc1ccc2c(c1)CCO2)C[C@H]1CC[NH2+]C1 ZINC000435737378 501020939 /nfs/dbraw/zinc/02/09/39/501020939.db2.gz HOSRAAWPQKGQGK-KRWDZBQOSA-N 2 0 357.523 3.041 20 0 FGADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@@H]2CCO[C@H](c3ccnn3C)C2)CC1 ZINC000449597309 501040522 /nfs/dbraw/zinc/04/05/22/501040522.db2.gz ZAHFJNXIZSXHQZ-RBAQFSTRSA-N 2 0 360.546 3.273 20 0 FGADRP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@@H+]1CCCSc1ccccc1Cl ZINC000436061542 501064075 /nfs/dbraw/zinc/06/40/75/501064075.db2.gz QDDIKPVAEWFCNJ-HNNXBMFYSA-N 2 0 369.962 3.142 20 0 FGADRP C[C@H](C(=O)N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000440925313 501064227 /nfs/dbraw/zinc/06/42/27/501064227.db2.gz WXFFTUOFTCRQSG-OPYAIIAOSA-N 2 0 369.553 3.071 20 0 FGADRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2cccc(OCC(F)(F)F)c2)CC1 ZINC000449745533 501073441 /nfs/dbraw/zinc/07/34/41/501073441.db2.gz NSUOJENQWZLDCR-UHFFFAOYSA-N 2 0 373.463 3.133 20 0 FGADRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2ccc(F)cc2C(F)(F)F)CC1 ZINC000449747480 501074795 /nfs/dbraw/zinc/07/47/95/501074795.db2.gz XEVARIGOZQHVMR-UHFFFAOYSA-N 2 0 361.427 3.350 20 0 FGADRP COc1ccc([C@@H](CNC(=O)C[N@H+](C)CCC2CC2)[NH+]2CCCCC2)cc1 ZINC000441220584 501104756 /nfs/dbraw/zinc/10/47/56/501104756.db2.gz CPBVZFYGJHRIQT-OAQYLSRUSA-N 2 0 373.541 3.070 20 0 FGADRP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2CCc1cccc(OC(F)(F)F)c1 ZINC000441248805 501108678 /nfs/dbraw/zinc/10/86/78/501108678.db2.gz AZCXZINDFMOSPM-BPQIPLTHSA-N 2 0 372.431 3.311 20 0 FGADRP C[C@@H](C[NH2+]CCN1CC[N@H+](C)C(C)(C)C1)c1cccc(Br)c1 ZINC000441348723 501125240 /nfs/dbraw/zinc/12/52/40/501125240.db2.gz CVWYOZULAGBXMU-HNNXBMFYSA-N 2 0 368.363 3.168 20 0 FGADRP Cc1ccc([C@H]2CCC[C@@H]2[N@H+](C)CC(=O)NC2CC[NH+](C3CC3)CC2)cc1 ZINC000441352999 501125774 /nfs/dbraw/zinc/12/57/74/501125774.db2.gz LGZDPFCDMRXLBI-YADHBBJMSA-N 2 0 369.553 3.306 20 0 FGADRP COc1cc(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)ccc1Cl ZINC000450455438 501125891 /nfs/dbraw/zinc/12/58/91/501125891.db2.gz VBVGNPGBXPLXCZ-UHFFFAOYSA-N 2 0 352.906 3.425 20 0 FGADRP COc1cc(-c2ccccc2)ccc1C[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000441370465 501129080 /nfs/dbraw/zinc/12/90/80/501129080.db2.gz HRODZTKNKDCJRV-UHFFFAOYSA-N 2 0 367.537 3.478 20 0 FGADRP C[NH+](C)CCc1ccccc1NC(=O)NC[C@H](Cc1ccccc1)[NH+](C)C ZINC000446570651 501134780 /nfs/dbraw/zinc/13/47/80/501134780.db2.gz COVJATKMCDAKAK-FQEVSTJZSA-N 2 0 368.525 3.085 20 0 FGADRP COc1ccnc(N2CCN(Cc3ncc(-c4ccc(C)cc4)o3)CC2)c1 ZINC000441500735 501148608 /nfs/dbraw/zinc/14/86/08/501148608.db2.gz KJNYYZCBTHIHQV-UHFFFAOYSA-N 2 0 364.449 3.376 20 0 FGADRP COc1ccc([C@H](CCn2cncn2)[NH2+]CCC[N@@H+]2CCCC[C@H]2C)cc1 ZINC000446750349 501161050 /nfs/dbraw/zinc/16/10/50/501161050.db2.gz GINSWFNGDNSHLI-NQIIRXRSSA-N 2 0 371.529 3.272 20 0 FGADRP CC[NH+]1CCN(c2ccccc2C[NH2+][C@@H](C)Cc2cccc(O)c2)CC1 ZINC000446986681 501191961 /nfs/dbraw/zinc/19/19/61/501191961.db2.gz KCPASYOKDRGOMI-SFHVURJKSA-N 2 0 353.510 3.255 20 0 FGADRP CO[C@@H](Cc1ccccc1)C[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000450716492 501192633 /nfs/dbraw/zinc/19/26/33/501192633.db2.gz YSJUXBQBPQQTLW-QFIPXVFZSA-N 2 0 360.542 3.069 20 0 FGADRP C[C@H]1C[C@@H](O)CC[NH+]1Cc1cc(Cl)cc(C[N@H+]2CC[C@H](O)C[C@@H]2C)c1 ZINC000451057711 501242460 /nfs/dbraw/zinc/24/24/60/501242460.db2.gz FAFCWZCCFQFBKF-SLUIBLPYSA-N 2 0 366.933 3.030 20 0 FGADRP C[C@@H]1C[C@@H](NCc2ccccc2C[NH+]2C[C@@H](C)O[C@H](C)C2)c2nccn21 ZINC000453078447 501263781 /nfs/dbraw/zinc/26/37/81/501263781.db2.gz GDXNOXGVRNQLOT-WOCWXWTJSA-N 2 0 354.498 3.288 20 0 FGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H](C)c2cc(-c3ccccc3)nn2C)CC1 ZINC000453103313 501269788 /nfs/dbraw/zinc/26/97/88/501269788.db2.gz BWTZPIHQVNOYCM-RTBURBONSA-N 2 0 369.557 3.011 20 0 FGADRP CC(=O)N1CCC(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)CC1 ZINC000453106004 501270081 /nfs/dbraw/zinc/27/00/81/501270081.db2.gz YCQXJUZBCREWQX-ZLNRFVROSA-N 2 0 369.553 3.278 20 0 FGADRP NC(=O)[C@H]1CCC[N@H+](CCC[NH2+][C@@H](c2ccc(Cl)cc2)C2CCC2)C1 ZINC000453106649 501270542 /nfs/dbraw/zinc/27/05/42/501270542.db2.gz ZAQXGFCXXYBKMB-PKOBYXMFSA-N 2 0 363.933 3.358 20 0 FGADRP CC(C)C(=O)NCCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000453183495 501286822 /nfs/dbraw/zinc/28/68/22/501286822.db2.gz SKZFFESDHXTDFU-NJYVYQBISA-N 2 0 357.542 3.182 20 0 FGADRP C[C@H]([NH2+]C[C@@H]1CCCCN1CCO)c1ccc(Br)cc1F ZINC000453278845 501306982 /nfs/dbraw/zinc/30/69/82/501306982.db2.gz ZLACRVZZZJRCOF-JSGCOSHPSA-N 2 0 359.283 3.086 20 0 FGADRP C[NH+](C)CCCC(C)(C)NC(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000457804723 501312779 /nfs/dbraw/zinc/31/27/79/501312779.db2.gz UMPYDTIHEFFHHY-IBGZPJMESA-N 2 0 360.546 3.071 20 0 FGADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+][C@H]2C[C@H]3CCCCN3C2=O)CC1 ZINC000453428932 501330337 /nfs/dbraw/zinc/33/03/37/501330337.db2.gz IAOSQTJILXFPPW-VFUGHAIPSA-N 2 0 355.526 3.173 20 0 FGADRP Cc1cccc([C@H]2CCC[N@@H+]2CC(=O)NC2CC[NH+](C3CC3)CC2)c1C ZINC000607736055 506247766 /nfs/dbraw/zinc/24/77/66/506247766.db2.gz GTYWONFMAJNLIK-OAQYLSRUSA-N 2 0 355.526 3.183 20 0 FGADRP C[N@H+](CCCC[NH2+]Cc1cc(Br)cc2c1OCC2)C1CC1 ZINC000453591499 501356466 /nfs/dbraw/zinc/35/64/66/501356466.db2.gz CKCUACPSCCKOQJ-UHFFFAOYSA-N 2 0 353.304 3.348 20 0 FGADRP C[NH+](C)[C@H]1CCc2cc(NC(=O)NC[C@@H]3[N@H+](C)CCCC3(C)C)ccc21 ZINC000455863800 501402204 /nfs/dbraw/zinc/40/22/04/501402204.db2.gz SIJIVVSVHNHVOQ-OALUTQOASA-N 2 0 358.530 3.477 20 0 FGADRP C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000455868713 501403275 /nfs/dbraw/zinc/40/32/75/501403275.db2.gz VYZSCEMJUWZWJJ-XPGWFJOJSA-N 2 0 356.514 3.326 20 0 FGADRP C[NH+](C)[C@@H]1CCc2cc(NC(=O)N3CC[C@H]([NH+]4CCCCC4)C3)ccc21 ZINC000455892904 501409218 /nfs/dbraw/zinc/40/92/18/501409218.db2.gz CACJDNGJLCSOSU-AZUAARDMSA-N 2 0 356.514 3.328 20 0 FGADRP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000455933967 501419846 /nfs/dbraw/zinc/41/98/46/501419846.db2.gz QSIFPSICKZZRDM-UYAOXDASSA-N 2 0 358.530 3.477 20 0 FGADRP C[NH+](C)[C@H]1CCc2cc(NC(=O)N3CCC[C@@H]3C[NH+]3CCCC3)ccc21 ZINC000455950528 501424117 /nfs/dbraw/zinc/42/41/17/501424117.db2.gz ZRTBGNUBOBKNHF-QUCCMNQESA-N 2 0 356.514 3.328 20 0 FGADRP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CC[C@]3(C2)CCC[NH+](C)C3)C1 ZINC000458373644 501430088 /nfs/dbraw/zinc/43/00/88/501430088.db2.gz IVOUPEILNNHVAI-GHTZIAJQSA-N 2 0 364.578 3.014 20 0 FGADRP C[C@H]([NH2+]C(C)(C)CNC(=O)N1CC[C@@]2(C1)CCC[N@H+](C)C2)c1ccccc1 ZINC000458381085 501431586 /nfs/dbraw/zinc/43/15/86/501431586.db2.gz VOPCQUPYLKDMNN-AVRDEDQJSA-N 2 0 372.557 3.243 20 0 FGADRP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)NCC(C)(C)[NH2+][C@H](C)c2ccccc2)C1 ZINC000458379598 501431899 /nfs/dbraw/zinc/43/18/99/501431899.db2.gz SUSSBXZQQYVMAZ-MJGOQNOKSA-N 2 0 360.546 3.240 20 0 FGADRP CCC[N@H+](CC)Cc1ccc(C(=O)N2CC[NH+](C3CC3)C[C@@H](C)C2)cc1 ZINC000452175939 501453920 /nfs/dbraw/zinc/45/39/20/501453920.db2.gz UVGXMUCYQVOREH-GOSISDBHSA-N 2 0 357.542 3.475 20 0 FGADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)NCCCCC[NH+]2CCCC2)C1 ZINC000454358528 501522456 /nfs/dbraw/zinc/52/24/56/501522456.db2.gz GRXINQMSPZZSHK-CTNGQTDRSA-N 2 0 372.557 3.387 20 0 FGADRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCCCCC[NH+]2CCCC2)C1 ZINC000454367395 501524828 /nfs/dbraw/zinc/52/48/28/501524828.db2.gz DUAZJQAGKGSQAO-GOSISDBHSA-N 2 0 352.567 3.062 20 0 FGADRP CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)N1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC000458936315 501562228 /nfs/dbraw/zinc/56/22/28/501562228.db2.gz NDYSQKOOBDJDTI-MOPGFXCFSA-N 2 0 364.578 3.013 20 0 FGADRP C[C@@H]1C[C@@H](N(C)C(=O)NCC2([NH+](C)Cc3ccccc3)CCC2)CC[N@@H+]1C ZINC000458972861 501568332 /nfs/dbraw/zinc/56/83/32/501568332.db2.gz LGCZSFFSCRQFPD-QUCCMNQESA-N 2 0 372.557 3.165 20 0 FGADRP C[C@@H]1CCN(C(=O)NCC[C@@H]2CCC[NH+](C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000459273302 501623104 /nfs/dbraw/zinc/62/31/04/501623104.db2.gz YCDLAFFLHICREO-CTNGQTDRSA-N 2 0 372.557 3.024 20 0 FGADRP CC[NH+](CC)CC1CC[NH+](Cc2ccccc2N2CCO[C@H](C)C2)CC1 ZINC000459293655 501626069 /nfs/dbraw/zinc/62/60/69/501626069.db2.gz GAVGBOYJWNAJIW-LJQANCHMSA-N 2 0 359.558 3.466 20 0 FGADRP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](CC2CCC(F)(F)CC2)CC1 ZINC000459375222 501641608 /nfs/dbraw/zinc/64/16/08/501641608.db2.gz MTKPMYCXKMWXAK-UHFFFAOYSA-N 2 0 373.532 3.228 20 0 FGADRP C[C@@H]1C[NH+](CCCC[NH2+]Cc2cccc(O)c2Br)C[C@@H](C)O1 ZINC000459385529 501644041 /nfs/dbraw/zinc/64/40/41/501644041.db2.gz JNPHWPBTXJIRIP-ZIAGYGMSSA-N 2 0 371.319 3.134 20 0 FGADRP COCCOCc1ccc(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000459563851 501677525 /nfs/dbraw/zinc/67/75/25/501677525.db2.gz VWFRTLXEHJAHSQ-UHFFFAOYSA-N 2 0 355.482 3.003 20 0 FGADRP COc1cc(Br)c(C[NH2+]CC[C@@H]2CCC[N@H+](C)C2)cc1OC ZINC000459731191 501705772 /nfs/dbraw/zinc/70/57/72/501705772.db2.gz KUMIKCCNBGBWHZ-ZDUSSCGKSA-N 2 0 371.319 3.288 20 0 FGADRP COc1ccc([C@H](CO)C[NH2+]C2CC[NH+]([C@H]3CCC[C@@H](C)C3)CC2)cc1 ZINC000459765331 501711226 /nfs/dbraw/zinc/71/12/26/501711226.db2.gz XGMQOAVSZSOJDT-LMNJBCLMSA-N 2 0 360.542 3.404 20 0 FGADRP C[C@@H](CCCCN1C(=O)c2ccccc2C1=O)[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000459796020 501715116 /nfs/dbraw/zinc/71/51/16/501715116.db2.gz VXSZYZTURDCXLP-ZWKOTPCHSA-N 2 0 371.525 3.163 20 0 FGADRP C[NH+](C)CC1(C(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)CCCCC1 ZINC000460186395 501752984 /nfs/dbraw/zinc/75/29/84/501752984.db2.gz XZGLEZVGAJONRO-OAQYLSRUSA-N 2 0 371.569 3.179 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)c1ccc2c(c1)CC[NH2+]CC2)c1ccsc1 ZINC000474291967 501777775 /nfs/dbraw/zinc/77/77/75/501777775.db2.gz MTNANBOXJNRJIA-HXUWFJFHSA-N 2 0 371.550 3.249 20 0 FGADRP COc1ccc2nc(C[NH2+]CCCC[NH+]3C[C@H](C)O[C@@H](C)C3)sc2c1 ZINC000474346033 501799698 /nfs/dbraw/zinc/79/96/98/501799698.db2.gz PCTJQJROSWKKDI-GJZGRUSLSA-N 2 0 363.527 3.284 20 0 FGADRP CC(C)[N@@H+](C)C[C@H](C)NC(=O)NC1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000460359437 501803263 /nfs/dbraw/zinc/80/32/63/501803263.db2.gz FNSWPKPBHNMKJP-FHWLQOOXSA-N 2 0 374.573 3.171 20 0 FGADRP C[NH+](C)CCOc1ccc(CC[NH2+][C@@H]2CCC[C@H]([C@@H]3CCOC3)C2)cc1 ZINC000464061237 501886817 /nfs/dbraw/zinc/88/68/17/501886817.db2.gz AUDMMRLXMQLYMO-PWRODBHTSA-N 2 0 360.542 3.354 20 0 FGADRP C[C@@H](Cc1ccccc1C(F)(F)F)[NH2+]C[C@H](O)C[NH+]1CCC(C)CC1 ZINC000481904014 501913980 /nfs/dbraw/zinc/91/39/80/501913980.db2.gz JMPAEEXDOGUDTG-RDJZCZTQSA-N 2 0 358.448 3.319 20 0 FGADRP C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1)[C@H](c1ccccc1)[NH+](C)C ZINC000471140871 501932633 /nfs/dbraw/zinc/93/26/33/501932633.db2.gz CIBYANYPQQISLJ-YUXAGFNASA-N 2 0 365.521 3.459 20 0 FGADRP CC(C)C[C@H](CNC(=O)NC1CC[NH+](C)CC1)[NH2+][C@H](C)c1ccccc1 ZINC000468024332 501933311 /nfs/dbraw/zinc/93/33/11/501933311.db2.gz KQNMIZNSGWDBLO-YLJYHZDGSA-N 2 0 360.546 3.145 20 0 FGADRP CCOc1ccc([C@@H](C)[NH2+]CCCN2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000482130525 501984488 /nfs/dbraw/zinc/98/44/88/501984488.db2.gz UNRHCCRCTLNCBS-LJQANCHMSA-N 2 0 368.525 3.343 20 0 FGADRP C[NH+](C)CCN(Cc1cccs1)C(=O)CC[N@@H+]1CCc2ccccc2C1 ZINC000471352189 501996318 /nfs/dbraw/zinc/99/63/18/501996318.db2.gz RLPRTVCHJQTATE-UHFFFAOYSA-N 2 0 371.550 3.087 20 0 FGADRP C[C@@H]1CCC[C@@H](C)C1NC(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1 ZINC000478497210 502000866 /nfs/dbraw/zinc/00/08/66/502000866.db2.gz ZRVPNYYMINHXGL-QZTJIDSGSA-N 2 0 364.578 3.061 20 0 FGADRP Cc1ccc([C@H](CNC(=O)CC[N@@H+]2CCc3ccccc3C2)[NH+](C)C)cc1 ZINC000471379419 502004951 /nfs/dbraw/zinc/00/49/51/502004951.db2.gz IEFYMDNRBNUUJM-QFIPXVFZSA-N 2 0 365.521 3.162 20 0 FGADRP C[NH+](C)CCN(C(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1)C1CCCC1 ZINC000468327137 502025631 /nfs/dbraw/zinc/02/56/31/502025631.db2.gz PGRORLPPQZVXFO-OAQYLSRUSA-N 2 0 372.557 3.339 20 0 FGADRP C[NH+](C)C1(CNC(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)CCCCC1 ZINC000471491377 502043985 /nfs/dbraw/zinc/04/39/85/502043985.db2.gz JGZCXDFNWNAURV-FQEVSTJZSA-N 2 0 372.557 3.072 20 0 FGADRP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000461259976 502054974 /nfs/dbraw/zinc/05/49/74/502054974.db2.gz GBWRDNQSILZXBF-LEWJYISDSA-N 2 0 357.542 3.231 20 0 FGADRP Cc1ccc([C@@H](C)[NH2+]CCCC[NH+]2CCN(c3ncccn3)CC2)s1 ZINC000482432813 502066493 /nfs/dbraw/zinc/06/64/93/502066493.db2.gz BLTMEUHENJYXDY-QGZVFWFLSA-N 2 0 359.543 3.100 20 0 FGADRP C[C@H](CNC(=O)c1ccc(Nc2cc[nH+]cc2)cc1)[N@@H+]1CCCC[C@H]1C ZINC000468467389 502068693 /nfs/dbraw/zinc/06/86/93/502068693.db2.gz AKOVAMKZXZCLCH-IAGOWNOFSA-N 2 0 352.482 3.240 20 0 FGADRP C[C@@H](CNC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCC[C@@H](C)C1 ZINC000475136784 502075003 /nfs/dbraw/zinc/07/50/03/502075003.db2.gz PFKHECVAVBNQOT-SVFBPWRDSA-N 2 0 372.557 3.023 20 0 FGADRP C[C@@H]([NH2+][C@@H](C)CCN1CC[NH+](C)CC1)c1ccc(Br)c(F)c1 ZINC000471591928 502078126 /nfs/dbraw/zinc/07/81/26/502078126.db2.gz AZZFIZFACXKEES-UONOGXRCSA-N 2 0 372.326 3.265 20 0 FGADRP CC[C@H](C)[N@H+](C)CCNC(=O)N(CC)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000475168924 502088579 /nfs/dbraw/zinc/08/85/79/502088579.db2.gz BBVWBZDFUUMLDM-ICSRJNTNSA-N 2 0 360.546 3.023 20 0 FGADRP CCN(C(=O)N[C@@H](C)C[NH+]1CCCCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475170324 502088903 /nfs/dbraw/zinc/08/89/03/502088903.db2.gz CGTKTFXKCATMID-FPOVZHCZSA-N 2 0 372.557 3.167 20 0 FGADRP CC(C[NH+]1CCC(OCC2CC2)CC1)C[NH+]1CCC(OCC2CC2)CC1 ZINC000464814046 502102783 /nfs/dbraw/zinc/10/27/83/502102783.db2.gz KMWRIJYUWFGAQC-UHFFFAOYSA-N 2 0 364.574 3.405 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)NC[C@H]1CC[N@H+](CC(C)C)C1)c1ccccc1 ZINC000464825197 502108122 /nfs/dbraw/zinc/10/81/22/502108122.db2.gz CFMWQLVOADXIJN-CTNGQTDRSA-N 2 0 374.573 3.347 20 0 FGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+][C@H](COC)C(C)C)CC1 ZINC000482568759 502113721 /nfs/dbraw/zinc/11/37/21/502113721.db2.gz JCHGKPQWAAXYSF-QFBILLFUSA-N 2 0 351.510 3.289 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)C[C@H](C2CC2)O1 ZINC000475277165 502115206 /nfs/dbraw/zinc/11/52/06/502115206.db2.gz DKAUNUALKUJAND-VGOFRKELSA-N 2 0 357.542 3.216 20 0 FGADRP CC(C)[NH+]1CCC(C(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)CC1 ZINC000461443158 502116433 /nfs/dbraw/zinc/11/64/33/502116433.db2.gz GKTZXEIZMXRHGB-VXKWHMMOSA-N 2 0 369.553 3.087 20 0 FGADRP CC(C)[NH+]1CCC(C(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)CC1 ZINC000461443159 502117091 /nfs/dbraw/zinc/11/70/91/502117091.db2.gz GKTZXEIZMXRHGB-YADHBBJMSA-N 2 0 369.553 3.087 20 0 FGADRP CN(C(=O)c1ccc(C[NH+](C)C)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475302334 502125696 /nfs/dbraw/zinc/12/56/96/502125696.db2.gz FLIGQNDJLGHEIH-OAQYLSRUSA-N 2 0 351.494 3.095 20 0 FGADRP COCCOc1cccc(CN2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC000475362534 502149690 /nfs/dbraw/zinc/14/96/90/502149690.db2.gz YUXJXJVMDDMTNH-SZPZYZBQSA-N 2 0 366.505 3.276 20 0 FGADRP OCC[NH+]1CCC(C[NH2+][C@H]2CCCc3cc(Br)ccc32)CC1 ZINC000479083660 502159664 /nfs/dbraw/zinc/15/96/64/502159664.db2.gz WNZRJCWBJWQREW-SFHVURJKSA-N 2 0 367.331 3.120 20 0 FGADRP [NH3+]C[C@@H](Cc1ccccc1)[C@H]1CCCC[N@@H+]1CCC(=O)NC1CCCC1 ZINC000471875215 502161222 /nfs/dbraw/zinc/16/12/22/502161222.db2.gz WJXUTRQDNSTOMM-TZIWHRDSSA-N 2 0 357.542 3.107 20 0 FGADRP CC[C@H](C(=O)N(Cc1ccncc1)C[C@@H]1CCC[N@@H+]1CC)[NH+](CC)CC ZINC000461642679 502161411 /nfs/dbraw/zinc/16/14/11/502161411.db2.gz NRWCFGBEQCCIMV-VQTJNVASSA-N 2 0 360.546 3.015 20 0 FGADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000468750417 502170678 /nfs/dbraw/zinc/17/06/78/502170678.db2.gz ZHPBHPODAOZTPM-IAGOWNOFSA-N 2 0 361.555 3.089 20 0 FGADRP CCCN(CC[NH+]1CCCC1)C(=O)N[C@H](C)C[N@H+](C)Cc1ccccc1 ZINC000461724622 502180619 /nfs/dbraw/zinc/18/06/19/502180619.db2.gz JXRJRGIVWHBVRF-LJQANCHMSA-N 2 0 360.546 3.024 20 0 FGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]C[C@H](O)CCC(C)C)CC1 ZINC000482813202 502187102 /nfs/dbraw/zinc/18/71/02/502187102.db2.gz STRWUEWTIOPGJL-PKOBYXMFSA-N 2 0 365.537 3.415 20 0 FGADRP [NH3+]C[C@@H](C(=O)Nc1cccc(C[NH+]2CCCCC2)c1)c1ccc(F)cc1 ZINC000479192831 502189552 /nfs/dbraw/zinc/18/95/52/502189552.db2.gz JYFPLNRXUWKDOA-HXUWFJFHSA-N 2 0 355.457 3.493 20 0 FGADRP C[C@@H]1C[C@@H](NC(=O)[C@@H](C[NH3+])c2ccc(F)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000479207207 502192957 /nfs/dbraw/zinc/19/29/57/502192957.db2.gz IQYPZPDEMRRHKF-CZAAIQMYSA-N 2 0 369.484 3.037 20 0 FGADRP CCCC[N@H+](C)C[C@H](C)NC(=O)N1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000461799544 502206589 /nfs/dbraw/zinc/20/65/89/502206589.db2.gz QABUDIRPPLPJRE-SLFFLAALSA-N 2 0 366.594 3.403 20 0 FGADRP C[C@H](NC(=O)NC[C@@H](c1ccsc1)[NH+](C)C)[C@H](c1ccccc1)[NH+](C)C ZINC000479356381 502234344 /nfs/dbraw/zinc/23/43/44/502234344.db2.gz XMLGCXJEDOWCSJ-ZYSHUDEJSA-N 2 0 374.554 3.341 20 0 FGADRP CCN(CCC[NH+]1CCCC1)C(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000472116367 502237327 /nfs/dbraw/zinc/23/73/27/502237327.db2.gz XHHMJTFQDQLHPC-LJQANCHMSA-N 2 0 352.567 3.016 20 0 FGADRP C[NH+]1CCN(CCC(C)(C)[NH2+]Cc2cc(F)ccc2Br)CC1 ZINC000472137274 502244775 /nfs/dbraw/zinc/24/47/75/502244775.db2.gz XGBICIYJKXUPCH-UHFFFAOYSA-N 2 0 372.326 3.094 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)N1CC[C@H]([NH+](CC)CC)C1)c1ccccc1 ZINC000465419382 502256147 /nfs/dbraw/zinc/25/61/47/502256147.db2.gz AVRZETKTGKNSGD-PMACEKPBSA-N 2 0 360.546 3.195 20 0 FGADRP C[NH+](C)CCOCC[NH2+][C@H](c1ccc(Br)cc1F)C1CC1 ZINC000479457386 502265617 /nfs/dbraw/zinc/26/56/17/502265617.db2.gz VORMINDNIHLOGT-INIZCTEOSA-N 2 0 359.283 3.207 20 0 FGADRP CCC[NH+]1CCN(C(=O)c2cccc(C[N@H+](C)Cc3ccccc3)c2)CC1 ZINC000486842348 502281542 /nfs/dbraw/zinc/28/15/42/502281542.db2.gz HBUMKMXUBYBXCU-UHFFFAOYSA-N 2 0 365.521 3.486 20 0 FGADRP CC1=CCC[C@H](C)[C@H]1C[NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000479538327 502289971 /nfs/dbraw/zinc/28/99/71/502289971.db2.gz BRBWGYDREWUNOZ-BWAGFHJFSA-N 2 0 369.553 3.466 20 0 FGADRP c1ccc(CN2CCC[C@@H]2C[NH2+]C2CCN(Cc3ccccn3)CC2)cc1 ZINC000483162949 502298095 /nfs/dbraw/zinc/29/80/95/502298095.db2.gz YLBTVSALKXNJOH-HSZRJFAPSA-N 2 0 364.537 3.300 20 0 FGADRP CN(Cc1nccn1CC(F)(F)F)C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000483175226 502303193 /nfs/dbraw/zinc/30/31/93/502303193.db2.gz AUHOEDGSTDHWOW-AWEZNQCLSA-N 2 0 372.435 3.058 20 0 FGADRP CCC[NH+]1CCC([NH2+]C[C@@H](CO)Cc2cccc(OC(F)(F)F)c2)CC1 ZINC000462118146 502313605 /nfs/dbraw/zinc/31/36/05/502313605.db2.gz CYZZFTRIYBGBKQ-INIZCTEOSA-N 2 0 374.447 3.200 20 0 FGADRP C[NH+]1CCC(O)(C[NH2+][C@H](CCc2ccccc2)Cc2ccccc2)CC1 ZINC000462122284 502314010 /nfs/dbraw/zinc/31/40/10/502314010.db2.gz SEIDLOMIYGCYIU-JOCHJYFZSA-N 2 0 352.522 3.277 20 0 FGADRP CCOc1c(Cl)cccc1C[NH2+]C[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000486988207 502324495 /nfs/dbraw/zinc/32/44/95/502324495.db2.gz HYPPKVHYIKLTBD-GOSISDBHSA-N 2 0 353.938 3.100 20 0 FGADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)NCC2([NH+](C)C)CCCCCC2)C1 ZINC000465621436 502328528 /nfs/dbraw/zinc/32/85/28/502328528.db2.gz AIIKUWVZKCITNI-SFHVURJKSA-N 2 0 352.567 3.014 20 0 FGADRP CC[NH+](CC)Cc1cccc(CNC(=O)N2CC[N@H+](C)[C@H](C(C)C)C2)c1 ZINC000487097760 502357923 /nfs/dbraw/zinc/35/79/23/502357923.db2.gz PWACJDOKPHIETD-FQEVSTJZSA-N 2 0 360.546 3.010 20 0 FGADRP CC[N@@H+]1CC[C@H]([NH2+][C@H]2CCN(c3cccc(Br)c3)C2)[C@@H](C)C1 ZINC000483433407 502391016 /nfs/dbraw/zinc/39/10/16/502391016.db2.gz MSEZSIREMDLNAF-ZVZYQTTQSA-N 2 0 366.347 3.348 20 0 FGADRP CCn1nccc1CC[NH2+][C@H](C)c1cc(F)ccc1N1CC[NH+](CC)CC1 ZINC000472589542 502393096 /nfs/dbraw/zinc/39/30/96/502393096.db2.gz BZSNSEIFNCNEDT-QGZVFWFLSA-N 2 0 373.520 3.077 20 0 FGADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@H](CO)Cc1ccccc1OC(F)(F)F ZINC000483451383 502396985 /nfs/dbraw/zinc/39/69/85/502396985.db2.gz CPDMWYAHERJMJB-AIANPOQGSA-N 2 0 374.447 3.055 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H](NC[C@H](c2ccco2)[NH+]2CCCC2)[C@H](C)C1 ZINC000479876618 502406068 /nfs/dbraw/zinc/40/60/68/502406068.db2.gz UIFWXWCWXOGTPD-HSALFYBXSA-N 2 0 363.546 3.143 20 0 FGADRP CCOc1c(Cl)cccc1C[NH2+]C[C@H](C)CN1CC[NH+](CC)CC1 ZINC000487320750 502417098 /nfs/dbraw/zinc/41/70/98/502417098.db2.gz OETREIZHMKAUET-INIZCTEOSA-N 2 0 353.938 3.102 20 0 FGADRP CC[NH+]1CCC(CCNC(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000465920851 502427858 /nfs/dbraw/zinc/42/78/58/502427858.db2.gz GIJQVSJBCFSTSZ-NRFANRHFSA-N 2 0 372.557 3.072 20 0 FGADRP CCCC[N@H+](C)CCNC(=O)NC[C@@H]1CCC[NH+](C)[C@H]1c1cccs1 ZINC000465923000 502428666 /nfs/dbraw/zinc/42/86/66/502428666.db2.gz QKTFGKAKUJHTND-FUHWJXTLSA-N 2 0 366.575 3.162 20 0 FGADRP CCCC[N@H+](C)CCNC(=O)NC[C@H]1CCC[NH+](C)[C@@H]1c1cccs1 ZINC000465922998 502429024 /nfs/dbraw/zinc/42/90/24/502429024.db2.gz QKTFGKAKUJHTND-AEFFLSMTSA-N 2 0 366.575 3.162 20 0 FGADRP CC(C)[C@@H](C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1)[NH+](C)C ZINC000483567415 502434334 /nfs/dbraw/zinc/43/43/34/502434334.db2.gz JIGPKKFTJBXAHI-NJYVYQBISA-N 2 0 357.542 3.086 20 0 FGADRP CC[NH+](CC)[C@H]1CCN(C(=O)NC2CC[NH+]([C@@H](C)c3ccccc3)CC2)C1 ZINC000466018554 502455613 /nfs/dbraw/zinc/45/56/13/502455613.db2.gz OQXJAYIPTXZJGU-RXVVDRJESA-N 2 0 372.557 3.338 20 0 FGADRP CC[NH+](CC)CCO[C@@H]1CCN(c2cc[nH+]c3cc(F)c(OC)cc32)C1 ZINC000480065667 502462964 /nfs/dbraw/zinc/46/29/64/502462964.db2.gz VIVKMWNGKULDAT-OAHLLOKOSA-N 2 0 361.461 3.320 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)C[C@H]1C ZINC000483684102 502463036 /nfs/dbraw/zinc/46/30/36/502463036.db2.gz PISPWIOPWXSGPC-HLAWJBBLSA-N 2 0 372.557 3.338 20 0 FGADRP C[C@@H]1C[C@@H](NC(=O)N2CCC(C[NH+](C)Cc3ccccc3)CC2)CC[N@@H+]1C ZINC000466042104 502463149 /nfs/dbraw/zinc/46/31/49/502463149.db2.gz XNRWRFBOHMIXEG-NQIIRXRSSA-N 2 0 372.557 3.023 20 0 FGADRP CC[N@H+](CCC1CCN(C(=O)N[C@H](C)C[NH+](C)C(C)C)CC1)CC1CC1 ZINC000462521615 502473651 /nfs/dbraw/zinc/47/36/51/502473651.db2.gz BNUDRHKTJNISJH-GOSISDBHSA-N 2 0 366.594 3.259 20 0 FGADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1nc(-c2ccccc2)cs1 ZINC000469659913 502494910 /nfs/dbraw/zinc/49/49/10/502494910.db2.gz BEUWFWJIXMUJHA-UHFFFAOYSA-N 2 0 374.554 3.156 20 0 FGADRP c1ccc([C@@H](C[NH+]2CCCC2)NC2CC[NH+](Cc3ccccn3)CC2)cc1 ZINC000480268755 502519124 /nfs/dbraw/zinc/51/91/24/502519124.db2.gz UOCQWRVQZDNDSS-HSZRJFAPSA-N 2 0 364.537 3.473 20 0 FGADRP C[C@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]CCOCC(F)(F)C(F)F ZINC000469765931 502537140 /nfs/dbraw/zinc/53/71/40/502537140.db2.gz AETTYZOHUDQRBX-GOEBONIOSA-N 2 0 362.411 3.404 20 0 FGADRP CC(C)C[C@H](N[C@@H](C)c1csc(C(C)C)n1)C(=O)NCC[NH+](C)C ZINC000469778043 502542081 /nfs/dbraw/zinc/54/20/81/502542081.db2.gz BZHWHOLYQIRCCY-GJZGRUSLSA-N 2 0 354.564 3.010 20 0 FGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]CCC(C)(C)OC)CC1 ZINC000469780510 502543100 /nfs/dbraw/zinc/54/31/00/502543100.db2.gz OMRQHIJLLUCFBT-MRXNPFEDSA-N 2 0 351.510 3.433 20 0 FGADRP C[NH+](C)CC1CC[NH+]([C@H]2CCN(c3ccccc3C(F)(F)F)C2=O)CC1 ZINC000473215435 502544645 /nfs/dbraw/zinc/54/46/45/502544645.db2.gz MSDAOJJZRVFSOW-KRWDZBQOSA-N 2 0 369.431 3.084 20 0 FGADRP C[C@H]1CN(C(=O)NC[C@@H](C2CCCCC2)[NH+](C)C)CC[N@@H+](C2CCC2)C1 ZINC000487847252 502546640 /nfs/dbraw/zinc/54/66/40/502546640.db2.gz ZWSXSXCVOUFMAQ-XLIONFOSSA-N 2 0 364.578 3.013 20 0 FGADRP Clc1sccc1C[NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000480380302 502552488 /nfs/dbraw/zinc/55/24/88/502552488.db2.gz CXQWTIPBFNLWHT-UHFFFAOYSA-N 2 0 350.919 3.098 20 0 FGADRP C[NH+](C)[C@H]1CCCN(C(=O)NC[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)C1 ZINC000462750264 502556538 /nfs/dbraw/zinc/55/65/38/502556538.db2.gz NKLSFKADLOLASZ-SFTDATJTSA-N 2 0 372.557 3.024 20 0 FGADRP CCC[C@@H]([NH2+]C(C)C)C(=O)NC[C@@H](c1ccccc1OC)[NH+]1CCCC1 ZINC000473285645 502558755 /nfs/dbraw/zinc/55/87/55/502558755.db2.gz XDBXYOWCSPRMMX-MOPGFXCFSA-N 2 0 361.530 3.115 20 0 FGADRP O=C(c1ccc(Nc2cc[nH+]cc2)cc1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000469851423 502568030 /nfs/dbraw/zinc/56/80/30/502568030.db2.gz IDWQAMKWDJQBHX-OAQYLSRUSA-N 2 0 364.493 3.338 20 0 FGADRP C[C@H](NC(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000487925161 502569703 /nfs/dbraw/zinc/56/97/03/502569703.db2.gz VUXPWAJXQAJZFD-KCLUMXDGSA-N 2 0 372.557 3.069 20 0 FGADRP C[NH+]1CCN(Cc2ccc(C[NH2+][C@@H]3CCC[C@H]([C@@H]4CCOC4)C3)cc2)CC1 ZINC000462785228 502571503 /nfs/dbraw/zinc/57/15/03/502571503.db2.gz KPZOGEUIMKWSFT-YTFSRNRJSA-N 2 0 371.569 3.119 20 0 FGADRP CCCOc1c(Br)cc(CN2CC[C@@H]([C@H](C)[NH3+])C2)cc1OC ZINC000469867343 502576328 /nfs/dbraw/zinc/57/63/28/502576328.db2.gz VIPYXAJZNWYMTQ-GXTWGEPZSA-N 2 0 371.319 3.416 20 0 FGADRP CC(C)c1cc(NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)nc(N(C)C)[nH+]1 ZINC000462798586 502580477 /nfs/dbraw/zinc/58/04/77/502580477.db2.gz QKGALUJIURFSNS-INIZCTEOSA-N 2 0 373.570 3.474 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC000462823676 502588996 /nfs/dbraw/zinc/58/89/96/502588996.db2.gz WGUNHIGXGNYMNO-UZKOGDIHSA-N 2 0 369.553 3.278 20 0 FGADRP C[NH+]1CCC(O)(C[NH2+][C@@H](Cc2cccc(F)c2)c2cccc(F)c2)CC1 ZINC000484180879 502594816 /nfs/dbraw/zinc/59/48/16/502594816.db2.gz VDHRHSKDCFRYEK-FQEVSTJZSA-N 2 0 360.448 3.295 20 0 FGADRP C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)NCCCCC[NH+]1CCCCC1 ZINC000476825265 502595891 /nfs/dbraw/zinc/59/58/91/502595891.db2.gz WKJKUSQAVIDKMH-RBUKOAKNSA-N 2 0 352.567 3.062 20 0 FGADRP O[C@H]1CC[N@H+](Cc2cccc(N[C@@H]3CCC[NH+](Cc4ccccc4)C3)c2)C1 ZINC000462866754 502605284 /nfs/dbraw/zinc/60/52/84/502605284.db2.gz PKIQFMQMUXHTIG-PKTZIBPZSA-N 2 0 365.521 3.330 20 0 FGADRP COCCOCc1ccc(C[NH2+]Cc2cn(-c3cc[nH+]cc3)nc2C)cc1 ZINC000462909733 502624226 /nfs/dbraw/zinc/62/42/26/502624226.db2.gz GDZJQWBZNDEYJR-UHFFFAOYSA-N 2 0 366.465 3.029 20 0 FGADRP C[NH+](C)CC1(C(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)CCCCC1 ZINC000473574040 502642022 /nfs/dbraw/zinc/64/20/22/502642022.db2.gz XBDQAZUFHYEOBB-OYRHEFFESA-N 2 0 369.553 3.089 20 0 FGADRP C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)[NH+]1CCc2ccccc2C1 ZINC000480716644 502651801 /nfs/dbraw/zinc/65/18/01/502651801.db2.gz YODRUCXMSFORDZ-RXVVDRJESA-N 2 0 369.553 3.204 20 0 FGADRP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H](C)c3sc(C)nc3C)cn2)CC1 ZINC000480714930 502652141 /nfs/dbraw/zinc/65/21/41/502652141.db2.gz RIMLQADYDICKJX-AWEZNQCLSA-N 2 0 359.543 3.148 20 0 FGADRP C[C@@H]1CCC[C@@](CNC(=O)NCc2ccc(CC[NH+](C)C)cc2)([NH+](C)C)C1 ZINC000466797750 502682486 /nfs/dbraw/zinc/68/24/86/502682486.db2.gz WCSQUEZZYMKWJI-XMSQKQJNSA-N 2 0 374.573 3.100 20 0 FGADRP CCC[N@H+](CC)CCNC(=O)NC1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC000473736355 502691752 /nfs/dbraw/zinc/69/17/52/502691752.db2.gz AKROZPLHTNTGGY-RTBURBONSA-N 2 0 374.573 3.174 20 0 FGADRP CC[NH+](CC)CC1CC[NH+](CC(=O)NC2(c3ccccc3)CCC2)CC1 ZINC000488359422 502692357 /nfs/dbraw/zinc/69/23/57/502692357.db2.gz LEZFGANXJRCJHM-UHFFFAOYSA-N 2 0 357.542 3.236 20 0 FGADRP CC[NH+]1CCN(Cc2ccc(C[NH2+][C@H]3CS[C@H](C(C)C)C3)cc2)CC1 ZINC000488418887 502709375 /nfs/dbraw/zinc/70/93/75/502709375.db2.gz TUVJPVPKVPBHRZ-RTWAWAEBSA-N 2 0 361.599 3.444 20 0 FGADRP C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)[C@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000470227429 502710146 /nfs/dbraw/zinc/71/01/46/502710146.db2.gz FRANBFANEKAZFT-YADHBBJMSA-N 2 0 369.553 3.089 20 0 FGADRP C[NH+](C)CC1CC[NH+](Cc2nn(-c3ccc(F)cc3)c3c2CCC3)CC1 ZINC000480962433 502714527 /nfs/dbraw/zinc/71/45/27/502714527.db2.gz MXIITDSZKZOZDM-UHFFFAOYSA-N 2 0 356.489 3.274 20 0 FGADRP CC(C)C[C@H](CNC(=O)N1CC[C@H](C[NH+](C)C)C1)[NH2+][C@H](C)c1ccccc1 ZINC000484709034 502715720 /nfs/dbraw/zinc/71/57/20/502715720.db2.gz LWHUOSWGHVVBRE-SFHLNBCPSA-N 2 0 374.573 3.345 20 0 FGADRP C[C@H](NC(=O)[C@H](C)[NH+]1CCC(C[NH+](C)C)CC1)c1ccc2c(c1)CCCC2 ZINC000480971050 502716650 /nfs/dbraw/zinc/71/66/50/502716650.db2.gz ZVQABXMMNXYFCB-ROUUACIJSA-N 2 0 371.569 3.405 20 0 FGADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1cccc(C[NH+](C)C)c1 ZINC000488499213 502733503 /nfs/dbraw/zinc/73/35/03/502733503.db2.gz NQPBZSHQGDKOOS-AVRDEDQJSA-N 2 0 365.521 3.389 20 0 FGADRP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)NC[C@@]2(C)CCC[N@@H+]2Cc2ccccc2)C1 ZINC000488502411 502733937 /nfs/dbraw/zinc/73/39/37/502733937.db2.gz HWSMWTDUVXMJIT-KCZVDYSFSA-N 2 0 372.557 3.213 20 0 FGADRP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)NC[C@]2(C)CCC[N@@H+]2Cc2ccccc2)C1 ZINC000488502417 502734413 /nfs/dbraw/zinc/73/44/13/502734413.db2.gz HWSMWTDUVXMJIT-VWPQPMDRSA-N 2 0 372.557 3.213 20 0 FGADRP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]CCCC2CCOCC2)CC1 ZINC000463244951 502734412 /nfs/dbraw/zinc/73/44/12/502734412.db2.gz JGQRZJWKTSAEGO-UHFFFAOYSA-N 2 0 365.949 3.388 20 0 FGADRP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000481035415 502735515 /nfs/dbraw/zinc/73/55/15/502735515.db2.gz LAOXFEKTMFKPNU-KCQAQPDRSA-N 2 0 361.313 3.196 20 0 FGADRP CC(C)[C@@H](CNC(=O)NCCCCC[NH+]1CCCCC1)[NH+]1CCCC1 ZINC000477404674 502766176 /nfs/dbraw/zinc/76/61/76/502766176.db2.gz HFZGHIKMCLBREL-LJQANCHMSA-N 2 0 352.567 3.062 20 0 FGADRP CC[N@H+](CCNC(=O)NC1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C)C(C)C ZINC000474006778 502777327 /nfs/dbraw/zinc/77/73/27/502777327.db2.gz BZGSKCMSSFGCNS-OALUTQOASA-N 2 0 374.573 3.173 20 0 FGADRP Cc1ccc([C@H](CNC(=O)NCCC[NH+](C(C)C)C(C)C)[NH+](C)C)cc1 ZINC000470480271 502789968 /nfs/dbraw/zinc/78/99/68/502789968.db2.gz RAHDWPPVBWLRSO-FQEVSTJZSA-N 2 0 362.562 3.406 20 0 FGADRP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C[NH+]1CCC(C)CC1 ZINC000474102169 502809799 /nfs/dbraw/zinc/80/97/99/502809799.db2.gz CUDDVKQEQLCHLD-NRFANRHFSA-N 2 0 357.542 3.089 20 0 FGADRP CCC[N@@H+]1CCC[C@H]1CNC(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000500591292 502821893 /nfs/dbraw/zinc/82/18/93/502821893.db2.gz LJAGELHVJYIJTH-MHJFOBGBSA-N 2 0 364.578 3.203 20 0 FGADRP C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)N2CCC[N@H+](C)CC2)C1 ZINC000500680292 502838998 /nfs/dbraw/zinc/83/89/98/502838998.db2.gz BKYJBWQCIUQJNY-OALUTQOASA-N 2 0 372.557 3.012 20 0 FGADRP CCC[N@@H+]1CC[C@@H](CNC(=O)NC[C@]2(C)CCC[NH+]2Cc2ccccc2)C1 ZINC000489091566 502878014 /nfs/dbraw/zinc/87/80/14/502878014.db2.gz ZPCAXOVNNBHSCV-UNMCSNQZSA-N 2 0 372.557 3.072 20 0 FGADRP CC[NH+](CC)CCNC(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000501033411 502916455 /nfs/dbraw/zinc/91/64/55/502916455.db2.gz DAOKEVTUJLYDDU-SFHVURJKSA-N 2 0 366.937 3.118 20 0 FGADRP C[C@H](C(=O)N[C@H]1CCCC[C@H]1C)[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501054761 502923080 /nfs/dbraw/zinc/92/30/80/502923080.db2.gz VBGWNIADWICTEV-OPYAIIAOSA-N 2 0 372.557 3.313 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc2ccccc2nc1C ZINC000505760819 502980516 /nfs/dbraw/zinc/98/05/16/502980516.db2.gz YJMDXNDUEUFHJB-LJQANCHMSA-N 2 0 368.525 3.031 20 0 FGADRP C[C@H](NC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)[C@H](c1ccccc1)[NH+](C)C ZINC000497555791 502986352 /nfs/dbraw/zinc/98/63/52/502986352.db2.gz DJLFHFFMCFFHSY-YTQUADARSA-N 2 0 362.562 3.343 20 0 FGADRP CCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@@H](C)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000501388318 502999518 /nfs/dbraw/zinc/99/95/18/502999518.db2.gz UCVCAEMMOMFERP-TYPHKJRUSA-N 2 0 372.557 3.071 20 0 FGADRP C[C@H](CN1CCCC1=O)[NH2+][C@@H]1CCCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000513683003 503000060 /nfs/dbraw/zinc/00/00/60/503000060.db2.gz DYLNNOUGCSHLKC-RYFAJOAYSA-N 2 0 369.553 3.278 20 0 FGADRP C[C@@H]1C[C@H](C)CN(C(=O)C[NH+]2CCC(C[N@H+](C)Cc3ccccc3)CC2)C1 ZINC000489650169 503004004 /nfs/dbraw/zinc/00/40/04/503004004.db2.gz PXHVMZGCZIDPDE-BGYRXZFFSA-N 2 0 371.569 3.335 20 0 FGADRP C[NH+]1CCC(O)(C[NH2+]CC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000501459663 503014573 /nfs/dbraw/zinc/01/45/73/503014573.db2.gz BSLSCBSIRVZTPT-UHFFFAOYSA-N 2 0 360.448 3.143 20 0 FGADRP CC(C)C[C@@H](CNC(=O)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1)[NH+](C)C ZINC000509936287 503014770 /nfs/dbraw/zinc/01/47/70/503014770.db2.gz AWHIGIGMPDDPAN-QUCCMNQESA-N 2 0 363.521 3.130 20 0 FGADRP C[C@@H](CNC(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1)[NH+]1CCC[C@@H](C)C1 ZINC000501515800 503026811 /nfs/dbraw/zinc/02/68/11/503026811.db2.gz CUEOOZWPQBYORS-DYXWJJEUSA-N 2 0 372.557 3.071 20 0 FGADRP C[C@@H](CNC(=O)NCC1([NH+](C)C)CCCCCC1)[N@@H+]1CCCC[C@@H]1C ZINC000501519034 503027362 /nfs/dbraw/zinc/02/73/62/503027362.db2.gz UHDPIHCZUFFNRR-ROUUACIJSA-N 2 0 352.567 3.203 20 0 FGADRP C[C@H](CNC(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1)[N@@H+]1CCCC[C@H]1C ZINC000501528324 503029663 /nfs/dbraw/zinc/02/96/63/503029663.db2.gz CSRADAQNBSONJN-SBHAEUEKSA-N 2 0 372.557 3.386 20 0 FGADRP C[C@@H](CNC(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1)[N@@H+]1CCCC[C@H]1C ZINC000501528322 503029908 /nfs/dbraw/zinc/02/99/08/503029908.db2.gz CSRADAQNBSONJN-DYXWJJEUSA-N 2 0 372.557 3.386 20 0 FGADRP CC(C)[NH+](CCNC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)C(C)C ZINC000489829814 503044205 /nfs/dbraw/zinc/04/42/05/503044205.db2.gz JPYKCRDKQDXMFY-CTNGQTDRSA-N 2 0 374.573 3.315 20 0 FGADRP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@@](C)(c3ccccc3)CC2)CC1 ZINC000510080294 503044422 /nfs/dbraw/zinc/04/44/22/503044422.db2.gz UPYWYIUSGBHJQS-HSZRJFAPSA-N 2 0 371.569 3.419 20 0 FGADRP COc1ccccc1[C@H](CN[C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21)[NH+]1CCCC1 ZINC000514083816 503083495 /nfs/dbraw/zinc/08/34/95/503083495.db2.gz MUPQVRQPIXFFNY-NRDMVMEKSA-N 2 0 357.542 3.295 20 0 FGADRP C[C@@H](CNC(=O)NCC[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)[NH+](C)C1CC1 ZINC000510305149 503088549 /nfs/dbraw/zinc/08/85/49/503088549.db2.gz DLIIYFNOJJFHCG-HBFSDRIKSA-N 2 0 372.557 3.069 20 0 FGADRP C[C@@H](CNC(=O)NCC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)[NH+](C)C1CC1 ZINC000510305151 503088960 /nfs/dbraw/zinc/08/89/60/503088960.db2.gz DLIIYFNOJJFHCG-WSTZPKSXSA-N 2 0 372.557 3.069 20 0 FGADRP CCCN(CC[NH+]1CCCC1)C(=O)N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000501856512 503095037 /nfs/dbraw/zinc/09/50/37/503095037.db2.gz JPLVJOWZOGFTQB-OALUTQOASA-N 2 0 364.578 3.157 20 0 FGADRP Cc1ccc([C@H](CNC(=O)NCC(C)(C)[NH+]2CCCCC2)[NH+](C)C)cc1 ZINC000514158940 503101832 /nfs/dbraw/zinc/10/18/32/503101832.db2.gz YDMJVUARYSKQST-IBGZPJMESA-N 2 0 360.546 3.161 20 0 FGADRP CC[NH+]1CCC(NC(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)CC1 ZINC000514157967 503101978 /nfs/dbraw/zinc/10/19/78/503101978.db2.gz MJXGUEBZDDXNQW-UHFFFAOYSA-N 2 0 372.557 3.346 20 0 FGADRP C[C@H](CNC(=O)c1oc2ccccc2c1C[NH+](C)C)[N@@H+]1CCC[C@H](C)C1 ZINC000510384501 503104292 /nfs/dbraw/zinc/10/42/92/503104292.db2.gz MQRALRNIZQCZSM-JKSUJKDBSA-N 2 0 357.498 3.345 20 0 FGADRP C[C@@H](CNC(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1)[NH+]1CCC(C)CC1 ZINC000514206296 503111956 /nfs/dbraw/zinc/11/19/56/503111956.db2.gz NPMYYGVTBIETJU-FPOVZHCZSA-N 2 0 372.557 3.243 20 0 FGADRP C[C@H](NC(=O)NCCC[NH+]1CCCCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000498128756 503113016 /nfs/dbraw/zinc/11/30/16/503113016.db2.gz WHTPSLAJZYVFQB-PZJWPPBQSA-N 2 0 372.557 3.072 20 0 FGADRP C[C@H](CNC(=O)N[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1)[NH+]1CCC[C@@H](C)C1 ZINC000514211018 503114242 /nfs/dbraw/zinc/11/42/42/503114242.db2.gz MMUVGUGMTVQMHX-WERVVEIQSA-N 2 0 372.557 3.242 20 0 FGADRP CCCC[NH+]1CCC(NC(=O)NC[C@H](C(C)C)[NH+]2CCC(C)CC2)CC1 ZINC000514219486 503115927 /nfs/dbraw/zinc/11/59/27/503115927.db2.gz QRRXYPSSZVPBSC-HXUWFJFHSA-N 2 0 366.594 3.307 20 0 FGADRP C[C@@H](C(=O)NCc1ccccc1)N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000506473324 503122467 /nfs/dbraw/zinc/12/24/67/503122467.db2.gz XZILLKZGVUCUCN-SVFBPWRDSA-N 2 0 357.542 3.278 20 0 FGADRP C[C@H](CNC(=O)N[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1)[NH+]1CCCC[C@@H]1C ZINC000514244796 503124593 /nfs/dbraw/zinc/12/45/93/503124593.db2.gz NFSGQVGFMDEFQL-PXCRPINLSA-N 2 0 372.557 3.384 20 0 FGADRP C[NH+](C)[C@@H](CNC(=O)NCC1([NH+](C)C)CCCCCC1)c1cccs1 ZINC000514566055 503137442 /nfs/dbraw/zinc/13/74/42/503137442.db2.gz VIAKQQKHLNGRPW-INIZCTEOSA-N 2 0 366.575 3.305 20 0 FGADRP CC[N@@H+]1C[C@H](C)N(C(=O)NC2CC[NH+]([C@H](C)c3ccccc3)CC2)C[C@@H]1C ZINC000498239158 503139245 /nfs/dbraw/zinc/13/92/45/503139245.db2.gz LVDHJRDIWLEEFS-GBESFXJTSA-N 2 0 372.557 3.336 20 0 FGADRP C[NH+](C)CC1CCN(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000514579223 503139662 /nfs/dbraw/zinc/13/96/62/503139662.db2.gz YPBBMAGKYZYJQE-UHFFFAOYSA-N 2 0 372.557 3.156 20 0 FGADRP C[C@H](C[NH+]1CCOCC1)C(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000502085146 503141906 /nfs/dbraw/zinc/14/19/06/503141906.db2.gz MYBUUDDEXQPFPM-GOSISDBHSA-N 2 0 373.541 3.358 20 0 FGADRP CC[C@H](C)[NH2+][C@H](CNC(=O)N[C@@H](C)C[NH+]1CCCCCC1)c1ccco1 ZINC000502135364 503148921 /nfs/dbraw/zinc/14/89/21/503148921.db2.gz DPWHCLHFBVDTAO-OKZBNKHCSA-N 2 0 364.534 3.273 20 0 FGADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@H](c1ccccc1)C(C)(C)CO ZINC000514690962 503168817 /nfs/dbraw/zinc/16/88/17/503168817.db2.gz DMBCIIGDPFHQOX-HXUWFJFHSA-N 2 0 350.466 3.425 20 0 FGADRP CC(C)(C)NC(=O)C[NH+]1CCC(C[NH2+][C@@H]2CCC[C@H]2CCCF)CC1 ZINC000510677270 503170224 /nfs/dbraw/zinc/17/02/24/503170224.db2.gz ANXIIEBGLKQRDG-ZWKOTPCHSA-N 2 0 355.542 3.121 20 0 FGADRP CCC[C@@H]([NH2+]C(C)C)C(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1 ZINC000498383611 503175746 /nfs/dbraw/zinc/17/57/46/503175746.db2.gz BXAMLHHDGZTXDA-MRXNPFEDSA-N 2 0 355.910 3.386 20 0 FGADRP Cc1nccn1CCCC[NH2+]C[C@H](O)CO[C@H]1CCCc2ccccc21 ZINC000514933082 503230880 /nfs/dbraw/zinc/23/08/80/503230880.db2.gz NOBXCCPFKUGFFA-FPOVZHCZSA-N 2 0 357.498 3.016 20 0 FGADRP CC(C)CN(C(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1)C1CC[NH+](C)CC1 ZINC000511057170 503243507 /nfs/dbraw/zinc/24/35/07/503243507.db2.gz SNUYSXZHJALUNS-OAQYLSRUSA-N 2 0 371.569 3.477 20 0 FGADRP [NH3+][C@@H]1CCCC[C@H]1CC(=O)N(Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000515004559 503248515 /nfs/dbraw/zinc/24/85/15/503248515.db2.gz WVSITUVBAGKVSY-KSZLIROESA-N 2 0 361.555 3.126 20 0 FGADRP Cc1ccc(C)c(NC(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000498807218 503267781 /nfs/dbraw/zinc/26/77/81/503267781.db2.gz NSWPHEMKNIIGDZ-UHFFFAOYSA-N 2 0 367.497 3.032 20 0 FGADRP CC[NH+](CC)CC(=O)N[C@@H](c1ccc(F)c(F)c1)C(C)(C)[NH+]1CCCC1 ZINC000502811520 503277903 /nfs/dbraw/zinc/27/79/03/503277903.db2.gz QQGLLWFZYBGYKG-IBGZPJMESA-N 2 0 367.484 3.338 20 0 FGADRP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000502841595 503286165 /nfs/dbraw/zinc/28/61/65/503286165.db2.gz IJYHRNBGWZSYLH-FPOVZHCZSA-N 2 0 372.557 3.215 20 0 FGADRP C[C@@H](NC(=O)NCc1cccc(C[NH+]2CCCCCC2)c1)[C@@H]1CCC[NH2+]C1 ZINC000515221433 503296294 /nfs/dbraw/zinc/29/62/94/503296294.db2.gz RIQSKKSIRKEIEH-WIYYLYMNSA-N 2 0 372.557 3.250 20 0 FGADRP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000502894018 503301721 /nfs/dbraw/zinc/30/17/21/503301721.db2.gz JOPNZJAEQDGUAO-AZUAARDMSA-N 2 0 360.546 3.243 20 0 FGADRP COc1cccc(CC[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)n1 ZINC000507456835 503301772 /nfs/dbraw/zinc/30/17/72/503301772.db2.gz ACZNDDMXBRJIBH-CEWLAPEOSA-N 2 0 351.494 3.133 20 0 FGADRP C[C@H]([NH2+]C(C)(C)CNC(=O)NCC[NH+]1CCC(C)CC1)c1ccccc1 ZINC000502927934 503309485 /nfs/dbraw/zinc/30/94/85/503309485.db2.gz FUSSWFQZWIRURK-SFHVURJKSA-N 2 0 360.546 3.147 20 0 FGADRP Clc1cc(C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)cc2c1OCCCO2 ZINC000515300306 503309985 /nfs/dbraw/zinc/30/99/85/503309985.db2.gz OCOKMCFHIPYJEB-MRXNPFEDSA-N 2 0 350.890 3.323 20 0 FGADRP CC(C)n1cc2c(n1)C[C@@H]([NH2+]C1CCN(CCC(F)(F)F)CC1)CC2 ZINC000507527851 503315349 /nfs/dbraw/zinc/31/53/49/503315349.db2.gz NGNNLKAGMVOQEA-INIZCTEOSA-N 2 0 358.452 3.328 20 0 FGADRP C[C@H](NC(=O)NCC[NH+]1[C@H](C)CCC[C@H]1C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511418875 503318348 /nfs/dbraw/zinc/31/83/48/503318348.db2.gz UWSUBCJMVGQNQO-YRXWBPOGSA-N 2 0 364.578 3.202 20 0 FGADRP COCCC[C@H](C)[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000515353071 503322032 /nfs/dbraw/zinc/32/20/32/503322032.db2.gz ACWAOZIYSWXJPY-FPOVZHCZSA-N 2 0 360.542 3.320 20 0 FGADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@H]2CC[NH+](Cc3ccccc3)[C@@H]2C)C1 ZINC000515395536 503329994 /nfs/dbraw/zinc/32/99/94/503329994.db2.gz OGBDEFFQOWVQQU-GIVPXCGWSA-N 2 0 372.557 3.023 20 0 FGADRP C[C@H]([NH2+]C(C)(C)CNC(=O)NCC1([NH+](C)C)CCCC1)c1ccccc1 ZINC000503091070 503345368 /nfs/dbraw/zinc/34/53/68/503345368.db2.gz DZIMYRSGAHJBBU-KRWDZBQOSA-N 2 0 360.546 3.289 20 0 FGADRP CC(C)C[N@H+](CCc1ccccc1)CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000511590704 503350567 /nfs/dbraw/zinc/35/05/67/503350567.db2.gz HEUYNRXRPVDGDD-UHFFFAOYSA-N 2 0 359.558 3.176 20 0 FGADRP C[NH+]1CCC(C[NH2+][C@@H]2CCc3c2c(F)ccc3F)(N2CCCCC2)CC1 ZINC000507816792 503373233 /nfs/dbraw/zinc/37/32/33/503373233.db2.gz YBHHIVOQXIWXKY-LJQANCHMSA-N 2 0 363.496 3.492 20 0 FGADRP C[N@H+](CCCCC(F)(F)F)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000511798910 503389758 /nfs/dbraw/zinc/38/97/58/503389758.db2.gz AIDKHCOHHLLDLG-UHFFFAOYSA-N 2 0 357.464 3.469 20 0 FGADRP C[C@H]1CCC[C@@H](C[NH2+]Cc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)C1 ZINC000507950688 503403324 /nfs/dbraw/zinc/40/33/24/503403324.db2.gz MTSQKKGCJHLWTE-AZUAARDMSA-N 2 0 357.542 3.428 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccc2[nH]c(C)c(C)c2c1 ZINC000508089924 503428208 /nfs/dbraw/zinc/42/82/08/503428208.db2.gz QMESFRUXLCPLIE-IBGZPJMESA-N 2 0 370.541 3.273 20 0 FGADRP CC(C)(C)c1nn(Cc2ccccc2)cc1CN1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000516063071 503438813 /nfs/dbraw/zinc/43/88/13/503438813.db2.gz KVGXVICSZZWUFV-MOPGFXCFSA-N 2 0 352.526 3.270 20 0 FGADRP C[C@H]([NH3+])[C@H](C)C(=O)N(CC[N@H+](C)Cc1ccccc1)Cc1ccccc1 ZINC000493824670 503448237 /nfs/dbraw/zinc/44/82/37/503448237.db2.gz TYQNOLKDQKVPHL-OALUTQOASA-N 2 0 353.510 3.131 20 0 FGADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H](C)c2cc(C)c(Br)s2)CC1 ZINC000512142713 503468236 /nfs/dbraw/zinc/46/82/36/503468236.db2.gz AOCXFKAPZNNKGB-UONOGXRCSA-N 2 0 374.392 3.496 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(OC)c(OC)c2C)[C@H](C)C1 ZINC000516209685 503471520 /nfs/dbraw/zinc/47/15/20/503471520.db2.gz IUCAFRICKMXYOP-APWZRJJASA-N 2 0 364.530 3.239 20 0 FGADRP CC(C)C[NH+]1CCC(NC(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)CC1 ZINC000503992601 503506227 /nfs/dbraw/zinc/50/62/27/503506227.db2.gz VMYHTELUNLELDL-OAQYLSRUSA-N 2 0 372.557 3.243 20 0 FGADRP C[NH+](C)C[C@@H]1CC[N@H+](CCC(=O)N[C@@H](c2cccs2)c2ccccc2)C1 ZINC000512318859 503519009 /nfs/dbraw/zinc/51/90/09/503519009.db2.gz TXSGKCWKRYNTPZ-LAUBAEHRSA-N 2 0 371.550 3.227 20 0 FGADRP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N(CC[NH+](C)C)Cc1ccccc1 ZINC000504177283 503534704 /nfs/dbraw/zinc/53/47/04/503534704.db2.gz PSXJUWANVXAJRJ-HSALFYBXSA-N 2 0 374.573 3.126 20 0 FGADRP COc1ccc(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)c(Cl)c1 ZINC000512403595 503539128 /nfs/dbraw/zinc/53/91/28/503539128.db2.gz MNGQOPCVQOLFBI-UHFFFAOYSA-N 2 0 352.906 3.283 20 0 FGADRP C[C@H](CNC(=O)NCc1cccc(C[NH+]2CCCC2)c1)[N@@H+]1CCCC[C@@H]1C ZINC000500103643 503555106 /nfs/dbraw/zinc/55/51/06/503555106.db2.gz KNUBNJLGMXTZEV-RBUKOAKNSA-N 2 0 372.557 3.345 20 0 FGADRP Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c(=O)n1C ZINC000494530772 503558547 /nfs/dbraw/zinc/55/85/47/503558547.db2.gz XYAAGJGSRIYARZ-BHIFYINESA-N 2 0 365.521 3.084 20 0 FGADRP C[C@H](NC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1)[C@H](c1ccccc1)[NH+](C)C ZINC000508850108 503577118 /nfs/dbraw/zinc/57/71/18/503577118.db2.gz DXPGHFDPLPFXDF-CEWLAPEOSA-N 2 0 372.557 3.338 20 0 FGADRP O=C(CC[C@H]1CCC[NH2+]1)NCCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000494651398 503583732 /nfs/dbraw/zinc/58/37/32/503583732.db2.gz QJIDQMUDOGBRRK-JOCHJYFZSA-N 2 0 371.569 3.370 20 0 FGADRP CCn1ccnc1CN(C(=O)c1ccc(F)cc1C)[C@@H]1CC12CC[NH2+]CC2 ZINC000516771394 503583847 /nfs/dbraw/zinc/58/38/47/503583847.db2.gz LCRSQGDOKYDJTM-GOSISDBHSA-N 2 0 370.472 3.135 20 0 FGADRP CC(C)[C@@H]([NH3+])C(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000494672577 503589159 /nfs/dbraw/zinc/58/91/59/503589159.db2.gz ZZNXWGJCRLANFH-UAGQMJEPSA-N 2 0 371.447 3.188 20 0 FGADRP CC(C)[NH+]1CCC(NC(=O)N2C[C@H](C)[N@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000500253427 503589288 /nfs/dbraw/zinc/58/92/88/503589288.db2.gz YRYRIWOEJZFDFZ-RBUKOAKNSA-N 2 0 372.557 3.164 20 0 FGADRP CC1CC[NH+](CCCCNC(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000516844290 503598459 /nfs/dbraw/zinc/59/84/59/503598459.db2.gz XRDNNVDBVFUFFI-OAQYLSRUSA-N 2 0 357.542 3.279 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@H](C)[C@H](c2ccccc2C)[NH+](C)C)[C@@H](C)C1 ZINC000508917600 503599996 /nfs/dbraw/zinc/59/99/96/503599996.db2.gz IBRNPKMCUWFOED-IZZBFERCSA-N 2 0 374.573 3.358 20 0 FGADRP CCOc1ccc(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)cc1F ZINC000494953846 503641303 /nfs/dbraw/zinc/64/13/03/503641303.db2.gz QWHDEKXJJAHTAZ-UHFFFAOYSA-N 2 0 350.478 3.159 20 0 FGADRP C[NH+](C)CCOC1CC[NH+](Cc2ccc(OCC(F)(F)F)cc2)CC1 ZINC000536675486 503675380 /nfs/dbraw/zinc/67/53/80/503675380.db2.gz QSNDQKRHLJVXIF-UHFFFAOYSA-N 2 0 360.420 3.170 20 0 FGADRP CC(C)[NH+]1CCN([C@H]2CC[N@H+](Cc3cccc(-c4ccncc4)c3)C2)CC1 ZINC000536710789 503691503 /nfs/dbraw/zinc/69/15/03/503691503.db2.gz RTPITDXJUKKWAV-QHCPKHFHSA-N 2 0 364.537 3.349 20 0 FGADRP Cc1cc2c(cc1C)[C@H]([NH2+]C1CC[NH+]([C@@H]3CCC[C@H]3O)CC1)CCCO2 ZINC000540159894 503693062 /nfs/dbraw/zinc/69/30/62/503693062.db2.gz ABVGNBMTTOWAIT-NJDAHSKKSA-N 2 0 358.526 3.485 20 0 FGADRP Cc1c([C@H](C)[NH2+]CCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)nnn1-c1ccccc1 ZINC000540169702 503695424 /nfs/dbraw/zinc/69/54/24/503695424.db2.gz HTRJRDUSHXVDFU-KSZLIROESA-N 2 0 371.529 3.116 20 0 FGADRP CC[NH+](CC)CCNC(=O)Nc1cccc(CC[NH+]2CCC(C)CC2)c1 ZINC000536721518 503696355 /nfs/dbraw/zinc/69/63/55/503696355.db2.gz NWAYTJDZSMZJCC-UHFFFAOYSA-N 2 0 360.546 3.424 20 0 FGADRP C[C@@H]1CCCC[C@H]1C[NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000543245292 503696543 /nfs/dbraw/zinc/69/65/43/503696543.db2.gz BTPGQAYTADNRRC-JRGCBEDISA-N 2 0 357.542 3.300 20 0 FGADRP C[C@@H]1C[C@H](NC(=O)Nc2ccc(OCC[NH+]3CCCCC3)cc2)CC[N@@H+]1C ZINC000533181661 503753265 /nfs/dbraw/zinc/75/32/65/503753265.db2.gz NYCTUJOCKVUJCC-IEBWSBKVSA-N 2 0 374.529 3.156 20 0 FGADRP C[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+]1C)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000540388950 503756455 /nfs/dbraw/zinc/75/64/55/503756455.db2.gz XQBADYLEJQQQKY-UZLBHIALSA-N 2 0 352.482 3.469 20 0 FGADRP C[C@@H]1CCC[C@@](CNC(=O)NC[C@@H](c2ccsc2)[NH+](C)C)([NH+](C)C)C1 ZINC000517511493 503760569 /nfs/dbraw/zinc/76/05/69/503760569.db2.gz ZWGUAWZPVWVFLK-HHXXYDBFSA-N 2 0 366.575 3.161 20 0 FGADRP CC[NH+]1CCN(c2cccc(NC(=O)NCC3([NH3+])CCCCCC3)c2)CC1 ZINC000517535766 503766172 /nfs/dbraw/zinc/76/61/72/503766172.db2.gz KGOBMVHIJOQPDV-UHFFFAOYSA-N 2 0 373.545 3.002 20 0 FGADRP CC(C)[C@H]([NH2+]CCCC[NH+]1CCN(CCO)CC1)c1ccccc1Cl ZINC000537000212 503774800 /nfs/dbraw/zinc/77/48/00/503774800.db2.gz UKDHTLHHLCOWTF-FQEVSTJZSA-N 2 0 367.965 3.017 20 0 FGADRP C[C@H](CC[N@@H+]1CC[C@H](C(C)(C)C)[C@H](O)C1)[NH+]1CC[C@H](C(C)(C)C)[C@@H](O)C1 ZINC000543478264 503788041 /nfs/dbraw/zinc/78/80/41/503788041.db2.gz OMIJRRHNRVCPSG-CXQPBAHBSA-N 2 0 368.606 3.223 20 0 FGADRP C[C@@H](C[NH+]1CCC2(CCOCC2)[C@@H]1C)C[N@@H+]1CCC2(CCOCC2)[C@H]1C ZINC000543573909 503816646 /nfs/dbraw/zinc/81/66/46/503816646.db2.gz JQTROSQVHQKOTL-OWZKRDHZSA-N 2 0 364.574 3.405 20 0 FGADRP CCC[C@@H]1CN(C(=O)N[C@H]2CC[NH+](C)[C@@H](C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000540573282 503821060 /nfs/dbraw/zinc/82/10/60/503821060.db2.gz VUSULWKASODIKQ-SESVDKBCSA-N 2 0 372.557 3.165 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1CCN[C@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21 ZINC000537173998 503827174 /nfs/dbraw/zinc/82/71/74/503827174.db2.gz SGRTZWWXKDMPRG-QUCCMNQESA-N 2 0 357.542 3.439 20 0 FGADRP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(C[NH2+][C@@H]3CCCC34CCC4)c2)C1 ZINC000517850621 503850205 /nfs/dbraw/zinc/85/02/05/503850205.db2.gz XEABBQHVNCGREF-WOJBJXKFSA-N 2 0 355.526 3.196 20 0 FGADRP Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1)CC3 ZINC000543702446 503859403 /nfs/dbraw/zinc/85/94/03/503859403.db2.gz AXIUEUGTYOEJPT-ZWKOTPCHSA-N 2 0 355.526 3.016 20 0 FGADRP CC(C)[C@H](CNC(=O)N1CCC[C@H]1C[NH+]1CCCC1)[NH+]1CCC(C)CC1 ZINC000517917092 503866947 /nfs/dbraw/zinc/86/69/47/503866947.db2.gz RZJRLUUMWPFMOP-PMACEKPBSA-N 2 0 364.578 3.013 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1)c1ccccc1 ZINC000518011102 503887840 /nfs/dbraw/zinc/88/78/40/503887840.db2.gz DOOCZCUSAHKDQU-CTNGQTDRSA-N 2 0 372.557 3.386 20 0 FGADRP Brc1ccsc1C[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530240613 503889591 /nfs/dbraw/zinc/88/95/91/503889591.db2.gz MFDLLLCUANJAMG-CYBMUJFWSA-N 2 0 359.333 3.101 20 0 FGADRP c1sc(C[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)nc1-c1ccccc1 ZINC000530247893 503893435 /nfs/dbraw/zinc/89/34/35/503893435.db2.gz COIQNWVKKQMZME-GOSISDBHSA-N 2 0 357.523 3.401 20 0 FGADRP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000518402557 503974424 /nfs/dbraw/zinc/97/44/24/503974424.db2.gz HDXUKTPASHZSQY-GGPKGHCWSA-N 2 0 374.573 3.345 20 0 FGADRP C[C@@H]([NH2+]Cc1cccc(OCC[N@H+](C)C2CCOCC2)c1)[C@H]1CC12CC2 ZINC000527859858 503975629 /nfs/dbraw/zinc/97/56/29/503975629.db2.gz RMOXCCYWRYQMQR-DYESRHJHSA-N 2 0 358.526 3.454 20 0 FGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H](C)c2cc(-c3ccccc3)n(C)n2)CC1 ZINC000527859329 503976088 /nfs/dbraw/zinc/97/60/88/503976088.db2.gz PUSPEZKSDYUBBA-MOPGFXCFSA-N 2 0 369.557 3.011 20 0 FGADRP CC[C@@H]1C[C@@H](C)CC[C@@H]1[NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000537646715 503990714 /nfs/dbraw/zinc/99/07/14/503990714.db2.gz IDRNPWIRDHEKFX-UHOSZYNNSA-N 2 0 351.579 3.418 20 0 FGADRP CC(C)[N@H+](C)CC1CCN(C(=O)NCC(C)(C)[NH+]2CCC[C@H](C)C2)CC1 ZINC000518461398 503991784 /nfs/dbraw/zinc/99/17/84/503991784.db2.gz RORXIGHIKIOVSB-SFHVURJKSA-N 2 0 366.594 3.259 20 0 FGADRP CC[N@@H+](Cc1ccc2c(c1)nnn2C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000537661286 503996099 /nfs/dbraw/zinc/99/60/99/503996099.db2.gz NRDMHQYLMWIMHJ-FQEVSTJZSA-N 2 0 363.509 3.312 20 0 FGADRP CC[NH+](CC)CCCC1CCN(C(=O)NC[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC000541097382 504006352 /nfs/dbraw/zinc/00/63/52/504006352.db2.gz UVXCELBXBMWTOH-FQEVSTJZSA-N 2 0 366.594 3.404 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H](NC[C@@H]2CC[NH+]2C2CCCCC2)[C@H](C)C1 ZINC000527950017 504012996 /nfs/dbraw/zinc/01/29/96/504012996.db2.gz OUOMJJSSXBQEJY-GIVPXCGWSA-N 2 0 351.579 3.120 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N1CC[C@@H]([NH+]2CCCCC2)C1)c1ccccc1 ZINC000518612074 504027128 /nfs/dbraw/zinc/02/71/28/504027128.db2.gz XDKZIKXXMYDSSW-NHCUHLMSSA-N 2 0 372.557 3.339 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H]1c2ccccc2C(=O)N1C ZINC000528008712 504037649 /nfs/dbraw/zinc/03/76/49/504037649.db2.gz XAKAXRMFHXAZAM-ZPMCFJSWSA-N 2 0 363.505 3.314 20 0 FGADRP C[C@H]1c2ccccc2CC[N@H+]1CC(=O)N1CCN(Cc2cccs2)CC1 ZINC000530662383 504043102 /nfs/dbraw/zinc/04/31/02/504043102.db2.gz TXXVHHYQEGIXLP-KRWDZBQOSA-N 2 0 369.534 3.012 20 0 FGADRP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000518746025 504053062 /nfs/dbraw/zinc/05/30/62/504053062.db2.gz FIXKXEMBLYDNON-LJQANCHMSA-N 2 0 374.573 3.446 20 0 FGADRP CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)NC[C@H]1CC[NH+](C(C)C)C1 ZINC000547387772 504087375 /nfs/dbraw/zinc/08/73/75/504087375.db2.gz ZBYXPXDAJPVTEA-NHCUHLMSSA-N 2 0 374.573 3.173 20 0 FGADRP C[C@H](C[NH+]1CCCCC1)NC(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000530840416 504103580 /nfs/dbraw/zinc/10/35/80/504103580.db2.gz BKNRGQSWFJOUHK-CRAIPNDOSA-N 2 0 366.937 3.116 20 0 FGADRP CC(C)[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1ccc(Cl)cc1 ZINC000538098192 504132742 /nfs/dbraw/zinc/13/27/42/504132742.db2.gz CODQWDGUCRWJJF-SJLPKXTDSA-N 2 0 351.922 3.214 20 0 FGADRP C[C@@H](C[NH2+][C@H](CN1CC[NH+](C)CC1)c1ccccc1)Cc1ccccc1 ZINC000547516379 504133629 /nfs/dbraw/zinc/13/36/29/504133629.db2.gz FKNGADWETVPFQO-NFBKMPQASA-N 2 0 351.538 3.444 20 0 FGADRP CCC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)NC[C@@H]1CC[NH+](C(C)C)C1 ZINC000528268353 504138159 /nfs/dbraw/zinc/13/81/59/504138159.db2.gz SKTBRRKSYLXSRT-BHDDXSALSA-N 2 0 371.569 3.381 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cccc(C(F)F)c1 ZINC000519099439 504140000 /nfs/dbraw/zinc/14/00/00/504140000.db2.gz SVXNHBRCZLQDIZ-QGZVFWFLSA-N 2 0 353.457 3.112 20 0 FGADRP CCC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)NCCC1CC[NH+](C)CC1 ZINC000528330862 504173337 /nfs/dbraw/zinc/17/33/37/504173337.db2.gz ZQAQYPYPVKVWAJ-FGZHOGPDSA-N 2 0 371.569 3.383 20 0 FGADRP CO[C@@H](C[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)c1ccc(F)cc1 ZINC000528368061 504189764 /nfs/dbraw/zinc/18/97/64/504189764.db2.gz KNPXYJUPYXFDKY-FVJLSDCUSA-N 2 0 364.505 3.334 20 0 FGADRP CCC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000528375637 504195109 /nfs/dbraw/zinc/19/51/09/504195109.db2.gz ZOEVFRRCAQUXFG-BHIFYINESA-N 2 0 369.553 3.231 20 0 FGADRP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)NCCCC[N@@H+]1CCCC[C@H]1C ZINC000544622277 504195470 /nfs/dbraw/zinc/19/54/70/504195470.db2.gz WJUPOWAGKKIZRM-MSOLQXFVSA-N 2 0 352.567 3.013 20 0 FGADRP C[C@H](CNC(=O)C1CC[NH+](Cc2ccccc2)CC1)[N@@H+]1CCCC[C@H]1C ZINC000519363571 504203608 /nfs/dbraw/zinc/20/36/08/504203608.db2.gz DPOFQYFIMCXNRY-RTBURBONSA-N 2 0 357.542 3.278 20 0 FGADRP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000519382362 504208203 /nfs/dbraw/zinc/20/82/03/504208203.db2.gz XUCHZYVWWFQULJ-ZGXWSNOMSA-N 2 0 364.578 3.013 20 0 FGADRP CN(C)c1cc[nH+]cc1C(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000544685759 504217791 /nfs/dbraw/zinc/21/77/91/504217791.db2.gz IVDQNYVOAWLMHR-UHFFFAOYSA-N 2 0 366.509 3.454 20 0 FGADRP CC(C)CO[C@H]1C[C@H]([NH2+]CC2(N3CCCCC3)CC[NH+](C)CC2)C1(C)C ZINC000538394172 504232895 /nfs/dbraw/zinc/23/28/95/504232895.db2.gz QALOGUUPVLDUSP-PMACEKPBSA-N 2 0 365.606 3.366 20 0 FGADRP C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC000544734857 504239059 /nfs/dbraw/zinc/23/90/59/504239059.db2.gz HNBUXDPWYLZZND-KRWDZBQOSA-N 2 0 366.509 3.310 20 0 FGADRP C[N@H+]1CC=C(C[NH2+]Cc2cc(Cl)ccc2OC[C@H]2CCCO2)CC1 ZINC000538445817 504248073 /nfs/dbraw/zinc/24/80/73/504248073.db2.gz MNAWNVDHYODOLQ-GOSISDBHSA-N 2 0 350.890 3.249 20 0 FGADRP C[C@@H]1CC[N@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CC1(C)C ZINC000544783936 504257683 /nfs/dbraw/zinc/25/76/83/504257683.db2.gz XKGMHEISVUTRJV-GOSISDBHSA-N 2 0 357.542 3.267 20 0 FGADRP C[C@H]1CCC[N@H+](Cc2ccccc2C[NH2+][C@H](Cc2ccccc2)C(N)=O)C1 ZINC000541800316 504258003 /nfs/dbraw/zinc/25/80/03/504258003.db2.gz WUPGOEHIUKIQBD-PGRDOPGGSA-N 2 0 365.521 3.105 20 0 FGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC2(CC[NH+](Cc3ccccc3)C2)CC1 ZINC000534983026 504302519 /nfs/dbraw/zinc/30/25/19/504302519.db2.gz JHRFLENGWYYLMF-NRFANRHFSA-N 2 0 369.553 3.376 20 0 FGADRP CC(C)[C@H]1C[NH2+]CCN1C(=O)Nc1cccc(CC[NH+]2CCC(C)CC2)c1 ZINC000528686330 504330762 /nfs/dbraw/zinc/33/07/62/504330762.db2.gz QSDSDOWXNRETKF-OAQYLSRUSA-N 2 0 372.557 3.423 20 0 FGADRP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)Nc2ccc3c(c2)OCC[NH2+]C3)C1 ZINC000528715241 504346331 /nfs/dbraw/zinc/34/63/31/504346331.db2.gz NMNBOPXIAADRHV-HZPDHXFCSA-N 2 0 374.529 3.047 20 0 FGADRP C[C@@H]([NH2+]CC1(C(=O)N(C)C)CCCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000548156427 504350401 /nfs/dbraw/zinc/35/04/01/504350401.db2.gz ILUGMSKRNYBQJD-QUCCMNQESA-N 2 0 357.542 3.135 20 0 FGADRP CC[NH+](CC)CCOC1CC[NH+](Cc2cc(OC)cc(OC)c2)CC1 ZINC000538761837 504360690 /nfs/dbraw/zinc/36/06/90/504360690.db2.gz FPOGCIIAFIXFHP-UHFFFAOYSA-N 2 0 350.503 3.027 20 0 FGADRP CC1CC[NH+](CC(=O)NCc2ccc(C[NH+]3CCC(C)CC3)cc2)CC1 ZINC000531623629 504368443 /nfs/dbraw/zinc/36/84/43/504368443.db2.gz UAORWDFVADFAIU-UHFFFAOYSA-N 2 0 357.542 3.267 20 0 FGADRP C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[NH2+]Cc1cccc(C[NH2+][C@@H]2[C@H](C)O[C@H](C)[C@H]2C)c1 ZINC000528770049 504372621 /nfs/dbraw/zinc/37/26/21/504372621.db2.gz YUZQTTQTHCFWJU-PZZLCKQYSA-N 2 0 360.542 3.490 20 0 FGADRP COCC[N@H+](C)CCC[NH2+][C@@H]1CCCc2ccc(Br)cc21 ZINC000538866733 504398140 /nfs/dbraw/zinc/39/81/40/504398140.db2.gz BOYNYDQMCSYLPL-QGZVFWFLSA-N 2 0 355.320 3.384 20 0 FGADRP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)N2CCC[N@@H+](C(C)(C)C)CC2)C1 ZINC000520200336 504433424 /nfs/dbraw/zinc/43/34/24/504433424.db2.gz MKIHXSCRQHZAIJ-RTBURBONSA-N 2 0 366.594 3.260 20 0 FGADRP C[N@@H+]1CC[C@H](NC(=O)c2ccc(Nc3cc[nH+]cc3)cc2)[C@H]1c1ccccc1 ZINC000535469429 504443842 /nfs/dbraw/zinc/44/38/42/504443842.db2.gz ONCBNIXGXAZGDX-FCHUYYIVSA-N 2 0 372.472 3.422 20 0 FGADRP Cc1cccc(C(=O)NCC[NH2+][C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000548482836 504461032 /nfs/dbraw/zinc/46/10/32/504461032.db2.gz GSTJVHNZHAEWDF-UGKGYDQZSA-N 2 0 365.521 3.225 20 0 FGADRP CC[NH+](CC)CC1CCN(C(=O)NCC[C@@H](C)[NH+]2CCCCC2)CC1 ZINC000542450806 504493991 /nfs/dbraw/zinc/49/39/91/504493991.db2.gz KEPVVLYDUGHRMY-GOSISDBHSA-N 2 0 352.567 3.014 20 0 FGADRP CCC[NH+]1CCN(c2ccccc2C[NH2+]CCC(=O)OC(C)(C)C)CC1 ZINC000532041212 504515020 /nfs/dbraw/zinc/51/50/20/504515020.db2.gz LXXRRYKUENDGNE-UHFFFAOYSA-N 2 0 361.530 3.040 20 0 FGADRP OC[C@H]1CCC[N@@H+]1CCCC[NH2+][C@H]1CCCOc2cc(Cl)ccc21 ZINC000539320797 504529387 /nfs/dbraw/zinc/52/93/87/504529387.db2.gz YSUJJGLMWTWNIB-AEFFLSMTSA-N 2 0 352.906 3.380 20 0 FGADRP C[C@@H]1C[C@H](NC(=O)CC[NH+](C)C2CCCCC2)C[N@@H+]1Cc1ccccc1 ZINC000548714976 504537791 /nfs/dbraw/zinc/53/77/91/504537791.db2.gz BLQVELDAMFFXQT-QUCCMNQESA-N 2 0 357.542 3.420 20 0 FGADRP CCO[C@@H]1C[C@H]([NH2+]Cc2ccccc2CN2CC[NH+](CC)CC2)C12CCC2 ZINC000539500230 504591523 /nfs/dbraw/zinc/59/15/23/504591523.db2.gz VIRXHMHIQJEIFW-FCHUYYIVSA-N 2 0 371.569 3.261 20 0 FGADRP CC[NH+](CC)[C@@H](C(=O)N[C@H](C)CCC[NH3+])c1cccc(C(F)(F)F)c1 ZINC000521042894 504636446 /nfs/dbraw/zinc/63/64/46/504636446.db2.gz XEJIWCXVFYCPRA-CZUORRHYSA-N 2 0 359.436 3.332 20 0 FGADRP C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000532446881 504654894 /nfs/dbraw/zinc/65/48/94/504654894.db2.gz MTLTYWXETAGPGI-LZQZEXGQSA-N 2 0 363.933 3.293 20 0 FGADRP O=C(Nc1ccc(OCC[NH+]2CCCCC2)cc1)c1ccc2c[nH+]cn2c1 ZINC000521215132 504681966 /nfs/dbraw/zinc/68/19/66/504681966.db2.gz TVQNMLNAVFFPAF-UHFFFAOYSA-N 2 0 364.449 3.451 20 0 FGADRP C[C@@H]([NH2+]Cc1cnn(CC(F)(F)F)c1)c1cccc(OCC[NH+](C)C)c1 ZINC000532538900 504687401 /nfs/dbraw/zinc/68/74/01/504687401.db2.gz YQEBRDDSLKFJSQ-CQSZACIVSA-N 2 0 370.419 3.237 20 0 FGADRP C[NH+](C)CCOC1CC[NH+](Cc2c[nH]nc2-c2cccc(Cl)c2)CC1 ZINC000539832237 504709200 /nfs/dbraw/zinc/70/92/00/504709200.db2.gz PJSJODCNYANQCW-UHFFFAOYSA-N 2 0 362.905 3.273 20 0 FGADRP CCCC[N@H+](C)CC1CC[NH+]([C@H](C)C(=O)N2CCc3ccccc32)CC1 ZINC000521431698 504735630 /nfs/dbraw/zinc/73/56/30/504735630.db2.gz LFDIWNVCZYSODA-GOSISDBHSA-N 2 0 357.542 3.408 20 0 FGADRP Fc1cccc(Cl)c1CC[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000521467612 504742996 /nfs/dbraw/zinc/74/29/96/504742996.db2.gz RVDGIEBWSJMIJY-UHFFFAOYSA-N 2 0 354.897 3.456 20 0 FGADRP C[C@@H](C[NH2+]CCN1CCC([NH+](C)C)CC1)c1ccc(C(F)(F)F)cc1 ZINC000521512144 504749830 /nfs/dbraw/zinc/74/98/30/504749830.db2.gz KMTHIJHRCZCEPN-HNNXBMFYSA-N 2 0 357.464 3.425 20 0 FGADRP C[NH+](C)[C@H]1CCC[C@H](NC(=O)NC(C)(C)C[N@H+](C)Cc2ccccc2)C1 ZINC000532838158 504765425 /nfs/dbraw/zinc/76/54/25/504765425.db2.gz DCPYAQFBAGCDLW-OALUTQOASA-N 2 0 360.546 3.069 20 0 FGADRP CC(C)[NH+]1CCN(c2cccc(NC(=O)C3CC[NH+](C4CC4)CC3)c2)CC1 ZINC000549258330 504775734 /nfs/dbraw/zinc/77/57/34/504775734.db2.gz YWJGTODDZCDVOL-UHFFFAOYSA-N 2 0 370.541 3.030 20 0 FGADRP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH2+]C[C@@H]1CCC2(CCOCC2)[C@@H]1O ZINC000549261195 504776254 /nfs/dbraw/zinc/77/62/54/504776254.db2.gz JTEOQUNDJLJHJD-LEWJYISDSA-N 2 0 374.569 3.302 20 0 FGADRP CC(C)(C)C[C@@H]([NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1)c1ccccc1 ZINC000552947372 504792033 /nfs/dbraw/zinc/79/20/33/504792033.db2.gz QJVDGFDGJUPYBL-HXUWFJFHSA-N 2 0 357.542 3.497 20 0 FGADRP Cn1nnc2cc(C[NH2+]C[C@H]3CCCC[N@H+](Cc4ccccc4)C3)ccc21 ZINC000565111116 504797294 /nfs/dbraw/zinc/79/72/94/504797294.db2.gz VAGYDDYNIYIZIZ-HXUWFJFHSA-N 2 0 363.509 3.360 20 0 FGADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)[C@H]2CCc3cncn3C2)cc1 ZINC000552981212 504797523 /nfs/dbraw/zinc/79/75/23/504797523.db2.gz HCLJUJCXLHBDHW-PXNSSMCTSA-N 2 0 366.509 3.136 20 0 FGADRP CCS(=O)(=O)c1ccc(C[NH2+][C@@H]2CCN(C)[C@H](c3ccccc3)C2)cc1 ZINC000556160230 504807606 /nfs/dbraw/zinc/80/76/06/504807606.db2.gz UJLPFTYTXNUVJU-CTNGQTDRSA-N 2 0 372.534 3.405 20 0 FGADRP CC(C)N(Cc1ccccc1)C(=O)[C@H](C)[N@@H+]1CC[C@H](c2nccn2C)C1 ZINC000565154557 504809523 /nfs/dbraw/zinc/80/95/23/504809523.db2.gz BHTMIKMSRQLCAQ-HKUYNNGSSA-N 2 0 354.498 3.035 20 0 FGADRP Cc1ccc(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)c(-c2cnn(C)c2)c1 ZINC000549404610 504811972 /nfs/dbraw/zinc/81/19/72/504811972.db2.gz SHYLCWUJSWEVTE-KSEOMHKRSA-N 2 0 368.525 3.079 20 0 FGADRP CCC[NH+]1CCN(c2ccccc2C[NH2+]C[C@@]2(O)CCCC2(C)C)CC1 ZINC000559321518 504832883 /nfs/dbraw/zinc/83/28/83/504832883.db2.gz PFGMIOPTAMCYPR-QFIPXVFZSA-N 2 0 359.558 3.249 20 0 FGADRP C[NH+](C)CCOC1CC[NH+](Cc2c(Cl)cccc2N2CCCC2)CC1 ZINC000553178276 504846548 /nfs/dbraw/zinc/84/65/48/504846548.db2.gz IPDRYYSYCKVQFN-UHFFFAOYSA-N 2 0 365.949 3.483 20 0 FGADRP Ic1cccc(C[NH2+]CC2CC[NH+](C3CC3)CC2)c1 ZINC000556412657 504867581 /nfs/dbraw/zinc/86/75/81/504867581.db2.gz QTRVFQUGYZYZED-UHFFFAOYSA-N 2 0 370.278 3.255 20 0 FGADRP CCSc1ccc([C@@H](C)[NH2+]CC(=O)NC2CC[NH+](C3CC3)CC2)cc1 ZINC000553311965 504880002 /nfs/dbraw/zinc/88/00/02/504880002.db2.gz QGMUKRZAYBLXFJ-OAHLLOKOSA-N 2 0 361.555 3.192 20 0 FGADRP C[NH+](C)CCCC(C)(C)NC(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000562669138 504902032 /nfs/dbraw/zinc/90/20/32/504902032.db2.gz XHCVDEOEUBZMLI-KRWDZBQOSA-N 2 0 368.953 3.362 20 0 FGADRP C[NH+](C)Cc1ccc(C[NH2+]C[C@@H](O)COc2cccc3ccccc32)cc1 ZINC000559731092 504917462 /nfs/dbraw/zinc/91/74/62/504917462.db2.gz VHYNLEKHVVGRTR-OAQYLSRUSA-N 2 0 364.489 3.431 20 0 FGADRP CC[NH+](CC)CCOc1ccc(C(=O)Nc2cccc3c2CC[NH2+]C3)cc1 ZINC000565543741 504918570 /nfs/dbraw/zinc/91/85/70/504918570.db2.gz LBHUFAFVJHEUSE-UHFFFAOYSA-N 2 0 367.493 3.305 20 0 FGADRP [NH3+]CCc1ccccc1C(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000565606015 504936656 /nfs/dbraw/zinc/93/66/56/504936656.db2.gz CBOAOICQAZLTAN-FQEVSTJZSA-N 2 0 371.912 3.408 20 0 FGADRP C[C@@H]([NH3+])[C@H]1CCCN(C(=O)NCc2ccccc2C[NH+]2CCC(C)CC2)C1 ZINC000562814198 504955408 /nfs/dbraw/zinc/95/54/08/504955408.db2.gz SLSFZPVDCCEFEH-QUCCMNQESA-N 2 0 372.557 3.187 20 0 FGADRP O=C([C@@H]1CCCC[N@@H+]1Cc1ccccc1)N1CCC[NH+](CC2CCC2)CC1 ZINC000550244592 505001230 /nfs/dbraw/zinc/00/12/30/505001230.db2.gz KQYHAACJDSKOSK-QFIPXVFZSA-N 2 0 369.553 3.376 20 0 FGADRP COCC[N@H+](C)CCCN[C@@H]1CCCC[C@H]2C[NH+](Cc3ccccc3)C[C@H]21 ZINC000556874132 505002139 /nfs/dbraw/zinc/00/21/39/505002139.db2.gz WMRFDQJEDAQCHY-YTFSRNRJSA-N 2 0 373.585 3.235 20 0 FGADRP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]C[C@]2(O)CCCC2(C)C)CC1 ZINC000550257207 505004227 /nfs/dbraw/zinc/00/42/27/505004227.db2.gz VNSRYQWDDXNHMS-HXUWFJFHSA-N 2 0 365.949 3.123 20 0 FGADRP CC[N@H+](Cc1ccc(C(=O)N2CC[NH+]([C@@H]3C[C@@H]3C)C[C@H](C)C2)cc1)C1CC1 ZINC000553781839 505008049 /nfs/dbraw/zinc/00/80/49/505008049.db2.gz GLRUXNINTZMFDW-NPPFBWRTSA-N 2 0 369.553 3.473 20 0 FGADRP C[C@@H](OC[C@@H](O)C[NH2+]C1CC[NH+](CC2CC2)CC1)c1ccc(Cl)cc1 ZINC000562988579 505012328 /nfs/dbraw/zinc/01/23/28/505012328.db2.gz PZOOHFWUBLFUDP-QRWLVFNGSA-N 2 0 366.933 3.243 20 0 FGADRP C[C@H]1CCC[C@H]([NH+]2CCC([NH2+]CCn3cc(Br)cn3)CC2)C1 ZINC000556924144 505018846 /nfs/dbraw/zinc/01/88/46/505018846.db2.gz HCVSLBGFPSJSCP-YOEHRIQHSA-N 2 0 369.351 3.278 20 0 FGADRP C[C@H]1[C@@H]([NH3+])CCN1C(=O)c1ccc(SCc2cn3ccccc3n2)cc1 ZINC000563117389 505051607 /nfs/dbraw/zinc/05/16/07/505051607.db2.gz XXKXMNOKIBLFRJ-KSSFIOAISA-N 2 0 366.490 3.188 20 0 FGADRP C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)COc2ccc(Oc3ccccc3)cc2)CC[N@@H+]1C ZINC000566063608 505069780 /nfs/dbraw/zinc/06/97/80/505069780.db2.gz DUPKJRPKNOKMBW-CEXWTWQISA-N 2 0 370.493 3.291 20 0 FGADRP C[NH2+]CCc1ccccc1C(=O)NC[C@@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC000563198418 505073497 /nfs/dbraw/zinc/07/34/97/505073497.db2.gz YPOBJNKZRJSZFR-QFIPXVFZSA-N 2 0 365.521 3.324 20 0 FGADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H]2CCc3sc(Br)cc32)CC1 ZINC000550623436 505075950 /nfs/dbraw/zinc/07/59/50/505075950.db2.gz YEYWMZGCDKLYEJ-GXTWGEPZSA-N 2 0 372.376 3.114 20 0 FGADRP Cc1ccc(NC(=O)C2(C[NH2+][C@@H]3CCOC[C@H]3[C@@H](C)[NH3+])CCCC2)cc1C ZINC000566089340 505077124 /nfs/dbraw/zinc/07/71/24/505077124.db2.gz ZVSORZSDUHPHBP-YZGWKJHDSA-N 2 0 373.541 3.144 20 0 FGADRP CCC[N@H+](CC)Cc1ccc(C(=O)Nc2cnc3c(c2)C[C@H]([NH3+])CC3)cc1 ZINC000563211203 505077568 /nfs/dbraw/zinc/07/75/68/505077568.db2.gz QCUGLFOCOSNWHZ-LJQANCHMSA-N 2 0 366.509 3.382 20 0 FGADRP CCO[C@H]1C[C@@]([NH3+])(C(=O)Nc2ccc3c(c2)nc(C(C)(C)C)n3C)C1(C)C ZINC000566191847 505108556 /nfs/dbraw/zinc/10/85/56/505108556.db2.gz XHVRCUWXAJQDQS-HRAATJIYSA-N 2 0 372.513 3.342 20 0 FGADRP Cn1cncc1CCC[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000563350929 505117042 /nfs/dbraw/zinc/11/70/42/505117042.db2.gz UQDXCUYFMJTIBZ-JOCHJYFZSA-N 2 0 352.526 3.341 20 0 FGADRP CC(C)(C)[C@@H]1NC(=O)CC[C@H]1[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000560576133 505131084 /nfs/dbraw/zinc/13/10/84/505131084.db2.gz UAKGMNAEUOYOLS-CDVBAKLBSA-N 2 0 369.553 3.180 20 0 FGADRP O=C(c1ccccc1CC1CC[NH2+]CC1)N1CCC([NH+]2CCCCC2)CC1 ZINC000566287051 505135074 /nfs/dbraw/zinc/13/50/74/505135074.db2.gz WIBVTHMPURMEHV-UHFFFAOYSA-N 2 0 369.553 3.319 20 0 FGADRP CN1CC[C@H]([NH2+]C2CCN(c3ccccn3)CC2)C[C@H]1c1ccccc1 ZINC000551007379 505141095 /nfs/dbraw/zinc/14/10/95/505141095.db2.gz DGFCUPQZQFTVIU-SFTDATJTSA-N 3 0 350.510 3.476 20 0 FGADRP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)Nc1cccc(CC[NH+]2CCC(C)CC2)c1 ZINC000563478632 505150932 /nfs/dbraw/zinc/15/09/32/505150932.db2.gz FVJCZIHPRSVEKP-IEBWSBKVSA-N 2 0 358.530 3.162 20 0 FGADRP C[C@@H]1C[C@@H](NC(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)CC[NH2+]1 ZINC000563561028 505176533 /nfs/dbraw/zinc/17/65/33/505176533.db2.gz JTJKRIUTKCOELX-XLIONFOSSA-N 2 0 358.530 3.002 20 0 FGADRP Cc1ccc(NC(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)c(C[NH+](C)C)c1 ZINC000557617205 505183354 /nfs/dbraw/zinc/18/33/54/505183354.db2.gz KGLZAAQJMWRBJV-GOSISDBHSA-N 2 0 361.555 3.213 20 0 FGADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]CCCOc2ncc(C(F)(F)F)cc2Cl)C1 ZINC000566483722 505187053 /nfs/dbraw/zinc/18/70/53/505187053.db2.gz WKRKSBRLYRTPKA-VXGBXAGGSA-N 2 0 351.800 3.382 20 0 FGADRP CCOc1cc2[nH+]ccc(NC[C@H]3CC[N@@H+](C4CC4)C3)c2cc1OCC ZINC000554523101 505195838 /nfs/dbraw/zinc/19/58/38/505195838.db2.gz IHUZCNFPGXLTLC-OAHLLOKOSA-N 2 0 355.482 3.350 20 0 FGADRP COc1ccc(C[NH2+]CC2(SC)CC[NH+](C)CC2)c(OC(F)F)c1 ZINC000563657599 505203385 /nfs/dbraw/zinc/20/33/85/505203385.db2.gz STCRKSGVJAGEFY-UHFFFAOYSA-N 2 0 360.470 3.214 20 0 FGADRP CC1CC[NH+](Cc2ccccc2CNC(=O)NC[C@@]2(C)CCC[NH2+]C2)CC1 ZINC000566551526 505204217 /nfs/dbraw/zinc/20/42/17/505204217.db2.gz KRRBAJQMTYHPIH-QFIPXVFZSA-N 2 0 372.557 3.107 20 0 FGADRP O[C@@H]1CCC[C@@H]1[NH+]1CCC([NH2+][C@@H](C[C@H]2CCOC2)c2ccccc2)CC1 ZINC000560917114 505211110 /nfs/dbraw/zinc/21/11/10/505211110.db2.gz FDBUTPWMBHPYDC-KDXIVRHGSA-N 2 0 358.526 3.122 20 0 FGADRP C[C@@H]([NH3+])[C@H]1CCN(C(=O)NCc2ccccc2C[N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000566727238 505256644 /nfs/dbraw/zinc/25/66/44/505256644.db2.gz DCSWLSWQYNSEKT-RMJJICAUSA-N 2 0 372.557 3.043 20 0 FGADRP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC000561154064 505265528 /nfs/dbraw/zinc/26/55/28/505265528.db2.gz NUPOJRUGUBJRLI-RTBURBONSA-N 2 0 359.558 3.279 20 0 FGADRP O=C(C[NH2+][C@@H](c1ccccc1F)C1CCCC1)NC1CC[NH+](C2CC2)CC1 ZINC000561198960 505278587 /nfs/dbraw/zinc/27/85/87/505278587.db2.gz DJQWJMVPHPNPME-JOCHJYFZSA-N 2 0 373.516 3.390 20 0 FGADRP NC(=O)c1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)cc1 ZINC000563936791 505281374 /nfs/dbraw/zinc/28/13/74/505281374.db2.gz LHJCRDSUQARYOA-BHDDXSALSA-N 2 0 363.505 3.318 20 0 FGADRP C[C@@H]1C[C@@H]1[N@@H+]1CCN(C(=O)C2CC[NH+](Cc3ccccc3)CC2)C[C@@H](C)C1 ZINC000558022180 505288324 /nfs/dbraw/zinc/28/83/24/505288324.db2.gz HWVJMFVFITYAQO-JQVVWYNYSA-N 2 0 369.553 3.087 20 0 FGADRP C[C@@H]1C[N@H+](C)CC[C@H]1Nc1ccc(NC(=O)C[NH+]2CCCCCC2)cc1 ZINC000558043336 505294643 /nfs/dbraw/zinc/29/46/43/505294643.db2.gz XHIFKUORDGCKBS-YLJYHZDGSA-N 2 0 358.530 3.253 20 0 FGADRP Cc1ccc(C[NH2+]CCCC[NH+]2C[C@@H](C)O[C@H](C)C2)c(-c2cnn(C)c2)c1 ZINC000554915670 505298737 /nfs/dbraw/zinc/29/87/37/505298737.db2.gz XSABMPNPIXLWCT-RTBURBONSA-N 2 0 370.541 3.375 20 0 FGADRP c1ccc(N2CCN(CC[NH2+]C3CC[NH+](C4CCCCC4)CC3)CC2)cc1 ZINC000564021409 505303307 /nfs/dbraw/zinc/30/33/07/505303307.db2.gz LVZHYNSPELONMQ-UHFFFAOYSA-N 2 0 370.585 3.195 20 0 FGADRP C[NH+](Cc1cncc(C[N@H+](C)C[C@H]2CCCCO2)c1)C[C@@H]1CCCCO1 ZINC000566896149 505304453 /nfs/dbraw/zinc/30/44/53/505304453.db2.gz ZTYJYGRLXULPGA-OYRHEFFESA-N 2 0 361.530 3.083 20 0 FGADRP C[C@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000566903002 505306382 /nfs/dbraw/zinc/30/63/82/505306382.db2.gz YZILWPXPXNCLBT-OAUYIBNBSA-N 2 0 369.431 3.400 20 0 FGADRP [NH3+]C[C@H]1CC[C@H](CNC(=O)[C@@H]2CCCCN2Cc2ccc(F)cc2)CC1 ZINC000566913861 505310200 /nfs/dbraw/zinc/31/02/00/505310200.db2.gz NFCOTCGUVLJOFQ-ZWOKBUDYSA-N 2 0 361.505 3.062 20 0 FGADRP Cc1cnccc1OC1CCN(CC(=O)NCc2cccc(Cl)c2)CC1 ZINC000567010129 505337719 /nfs/dbraw/zinc/33/77/19/505337719.db2.gz ZHHLPWIYCQTFPW-UHFFFAOYSA-N 2 0 373.884 3.203 20 0 FGADRP C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000561449845 505349358 /nfs/dbraw/zinc/34/93/58/505349358.db2.gz LDYHRHKLYWFYRR-HMXCVIKNSA-N 2 0 370.541 3.092 20 0 FGADRP C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)NCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000561506527 505363388 /nfs/dbraw/zinc/36/33/88/505363388.db2.gz ZMDNCHZRCRSAHD-FCGDIQPGSA-N 2 0 364.578 3.011 20 0 FGADRP CCCC[N@H+](C)C[C@@H](C)NC(=O)N[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000555162633 505367534 /nfs/dbraw/zinc/36/75/34/505367534.db2.gz RJGHQIOATYVVMK-DYXWJJEUSA-N 2 0 374.573 3.459 20 0 FGADRP C[C@@H]([NH2+]Cc1ccnc(-n2cccn2)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000558403970 505378590 /nfs/dbraw/zinc/37/85/90/505378590.db2.gz UNUWUNFTHDOATE-NQIIRXRSSA-N 2 0 361.493 3.268 20 0 FGADRP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)CCn2ccc3cc(Cl)ccc32)CC1 ZINC000558457073 505394785 /nfs/dbraw/zinc/39/47/85/505394785.db2.gz DZXGQBGRNXJLQR-MRXNPFEDSA-N 2 0 363.933 3.319 20 0 FGADRP CCC[N@H+](CC)CCNC(=O)N1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000561638908 505397487 /nfs/dbraw/zinc/39/74/87/505397487.db2.gz CGUOHJNHVYYAHP-JOCHJYFZSA-N 2 0 372.557 3.026 20 0 FGADRP COc1ccc(CC[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)c(Cl)c1OC ZINC000567223693 505400187 /nfs/dbraw/zinc/40/01/87/505400187.db2.gz UVBSTLFQXXJXTB-BZUAXINKSA-N 2 0 352.906 3.362 20 0 FGADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC(NCc2ccncc2OCC[NH+](C)C)CC1 ZINC000561782962 505436639 /nfs/dbraw/zinc/43/66/39/505436639.db2.gz SGEKILNNTXZSER-NQIIRXRSSA-N 2 0 374.573 3.155 20 0 FGADRP Cc1cc(CNC(=O)NC[C@@H](C)[N@@H+]2CCCC[C@H]2C)cc(N2CCCC2)n1 ZINC000564583343 505460993 /nfs/dbraw/zinc/46/09/93/505460993.db2.gz NFQSCJVLLWWDBM-QZTJIDSGSA-N 2 0 373.545 3.052 20 0 FGADRP CCc1ccccc1[C@@H]([NH3+])CNC(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000567454685 505468056 /nfs/dbraw/zinc/46/80/56/505468056.db2.gz UHUDKBGPKSDUNX-NRFANRHFSA-N 2 0 372.557 3.345 20 0 FGADRP CC(C)[C@@H](NC(=O)CN1CC[C@]2(C1)CCC[N@H+](C)C2)c1ccc(F)cc1 ZINC000555598295 505469174 /nfs/dbraw/zinc/46/91/74/505469174.db2.gz QAUVZTDTZYYSIS-NHCUHLMSSA-N 2 0 361.505 3.057 20 0 FGADRP [NH3+][C@H](Cc1ccccc1)C(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000561946606 505475270 /nfs/dbraw/zinc/47/52/70/505475270.db2.gz SPEDOJZBQQWZHG-WOJBJXKFSA-N 2 0 371.912 3.163 20 0 FGADRP Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)[C@@H](C[NH3+])c1ccccc1 ZINC000567505445 505482643 /nfs/dbraw/zinc/48/26/43/505482643.db2.gz ZOKJQZQHADQPJZ-IBGZPJMESA-N 2 0 369.534 3.225 20 0 FGADRP CC[C@@H](C(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1)[N@H+](C)Cc1ccccc1 ZINC000562034199 505497325 /nfs/dbraw/zinc/49/73/25/505497325.db2.gz RIOFWWMDFKFYGF-PMACEKPBSA-N 2 0 369.509 3.443 20 0 FGADRP CC[NH+]1CCN(c2ccccc2NC(=O)c2ccc([C@H](C)[NH3+])cc2)CC1 ZINC000564733130 505505810 /nfs/dbraw/zinc/50/58/10/505505810.db2.gz UGOKTDGZCQFQIN-INIZCTEOSA-N 2 0 352.482 3.101 20 0 FGADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1cccc(-c2nc(CC(F)(F)F)no2)c1 ZINC000562093060 505516382 /nfs/dbraw/zinc/51/63/82/505516382.db2.gz UWRVKSCZDULSAH-DOMZBBRYSA-N 2 0 368.403 3.271 20 0 FGADRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1cccc(-c2nc(CC(F)(F)F)no2)c1 ZINC000562093065 505516680 /nfs/dbraw/zinc/51/66/80/505516680.db2.gz UWRVKSCZDULSAH-SWLSCSKDSA-N 2 0 368.403 3.271 20 0 FGADRP C[NH+](C)CCCCC(=O)Nc1nc2c(s1)CN(Cc1ccccc1)CC2 ZINC000552576871 505516847 /nfs/dbraw/zinc/51/68/47/505516847.db2.gz SUESERSIYSJNIM-UHFFFAOYSA-N 2 0 372.538 3.372 20 0 FGADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+]C[C@@H](O)COc2cccc3ccccc32)C1 ZINC000567680718 505534029 /nfs/dbraw/zinc/53/40/29/505534029.db2.gz CXQJUDOQZIUBOW-UYAOXDASSA-N 2 0 356.510 3.290 20 0 FGADRP C[C@H](OC[C@H](O)C[NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1)c1ccc(Cl)cc1 ZINC000564848454 505537542 /nfs/dbraw/zinc/53/75/42/505537542.db2.gz FEQFPELSACVEPC-KLIQENQMSA-N 2 0 354.922 3.241 20 0 FGADRP CC[NH+](CC)C[C@H](C)NC(=O)NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000562240399 505549769 /nfs/dbraw/zinc/54/97/69/505549769.db2.gz DEDNJFKWIZORMR-PZJWPPBQSA-N 2 0 374.573 3.318 20 0 FGADRP COc1ccc([C@H](C[NH+](C)C)NC(=O)CC[N@H+](C)C2CCCCC2)cc1 ZINC000552817734 505559727 /nfs/dbraw/zinc/55/97/27/505559727.db2.gz YSKCPRHPRZBPOA-FQEVSTJZSA-N 2 0 361.530 3.069 20 0 FGADRP Cc1cc(NC(=O)[C@@H](C(C)C)[C@H](C)[NH3+])cc(N2CC[NH+](C(C)C)CC2)c1 ZINC000564940194 505562006 /nfs/dbraw/zinc/56/20/06/505562006.db2.gz LNMCCYOWVSEZOV-PXNSSMCTSA-N 2 0 360.546 3.083 20 0 FGADRP CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000567890723 505570292 /nfs/dbraw/zinc/57/02/92/505570292.db2.gz AUVDIRHZMFEHKG-GRDNDAEWSA-N 2 0 370.324 3.011 20 0 FGADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)N1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000582732962 506389646 /nfs/dbraw/zinc/38/96/46/506389646.db2.gz WOEUXECZQQYGNE-INIZCTEOSA-N 2 0 354.498 3.050 20 0 FGADRP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC000599314019 506408893 /nfs/dbraw/zinc/40/88/93/506408893.db2.gz IGFKMZVTYFVPMP-DBXWQHBBSA-N 2 0 357.542 3.265 20 0 FGADRP C[C@H]([NH3+])c1ccc(C(=O)NCc2ccc(OCC[NH+]3CCCC3)cc2)cc1 ZINC000582782593 506418559 /nfs/dbraw/zinc/41/85/59/506418559.db2.gz DPNDZOGHEKKBEJ-KRWDZBQOSA-N 2 0 367.493 3.111 20 0 FGADRP CC[C@@H](C)[N@H+](C)CCNC(=O)NCc1ccccc1C[NH+]1CCC[C@@H](C)C1 ZINC000589209801 506485455 /nfs/dbraw/zinc/48/54/55/506485455.db2.gz XCVPSVSJUDHETG-RTBURBONSA-N 2 0 374.573 3.448 20 0 FGADRP C[C@H](CCc1ccc(I)cc1)[NH2+]CC1([NH3+])CCCC1 ZINC000596648961 506510090 /nfs/dbraw/zinc/51/00/90/506510090.db2.gz VACFXYJHLOXAAJ-CYBMUJFWSA-N 2 0 372.294 3.473 20 0 FGADRP CSC1(C[NH2+][C@H](C)CCc2ccc3c(c2)OCO3)CC[NH+](C)CC1 ZINC000589349697 506525349 /nfs/dbraw/zinc/52/53/49/506525349.db2.gz SHEFKMHDMMTJMW-OAHLLOKOSA-N 2 0 350.528 3.153 20 0 FGADRP [NH3+][C@@H](CCC(=O)Nc1cccc(C[NH+]2CCC(O)CC2)c1)c1ccccc1 ZINC000583027604 506548397 /nfs/dbraw/zinc/54/83/97/506548397.db2.gz VMCMXGNXQCYEOO-NRFANRHFSA-N 2 0 367.493 3.062 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)[C@H]2CCc3nc[nH]c3C2)CC1 ZINC000612469943 506589938 /nfs/dbraw/zinc/58/99/38/506589938.db2.gz JDCTXTKDFCUUQL-AEFFLSMTSA-N 2 0 358.530 3.018 20 0 FGADRP C[C@@H](Cc1c[nH]cn1)C(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000583152072 506618403 /nfs/dbraw/zinc/61/84/03/506618403.db2.gz NUGZMOXWMAMFLZ-KRWDZBQOSA-N 2 0 362.477 3.086 20 0 FGADRP C[NH+](C)CCCOc1ccc(NC(=O)N2CCC[C@H]2C[NH+]2CCCC2)cc1 ZINC000593502051 506657082 /nfs/dbraw/zinc/65/70/82/506657082.db2.gz OWYIWCQIRZKGKB-IBGZPJMESA-N 2 0 374.529 3.109 20 0 FGADRP CC[N@H+](C)[C@@H](C(=O)NCCC[NH+](C)Cc1ccccc1)c1ccccc1 ZINC000589993006 506698936 /nfs/dbraw/zinc/69/89/36/506698936.db2.gz PMQNYZDETYDCTR-OAQYLSRUSA-N 2 0 353.510 3.318 20 0 FGADRP CC1CC[NH+](Cc2ccc(CNC(=O)c3ccc4nccn4c3)cc2)CC1 ZINC000589994370 506700489 /nfs/dbraw/zinc/70/04/89/506700489.db2.gz JDTYUJOWKPJLNG-UHFFFAOYSA-N 2 0 362.477 3.496 20 0 FGADRP CC(C)[NH2+][C@H]1CCCN(C(=O)N[C@H](C[NH+]2CCCCC2)c2ccccc2)C1 ZINC000604203713 506749846 /nfs/dbraw/zinc/74/98/46/506749846.db2.gz BQWBGQOHJRBOKA-LEWJYISDSA-N 2 0 372.557 3.386 20 0 FGADRP CCOC(=O)c1cccc(C[NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)n1 ZINC000600126093 506790181 /nfs/dbraw/zinc/79/01/81/506790181.db2.gz LAEARFYVQSBHHI-UHFFFAOYSA-N 2 0 353.466 3.144 20 0 FGADRP O=C(NCc1ccccc1C[NH+]1CCCCCC1)N[C@H]1CC12CC[NH2+]CC2 ZINC000612969786 506845096 /nfs/dbraw/zinc/84/50/96/506845096.db2.gz GROFHHADTGPXLN-FQEVSTJZSA-N 2 0 370.541 3.004 20 0 FGADRP COC(=O)c1ccc(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CC23CCC3)[nH]1 ZINC000597232605 506849631 /nfs/dbraw/zinc/84/96/31/506849631.db2.gz WKEUWCKZMOSSGD-GOSISDBHSA-N 2 0 367.493 3.193 20 0 FGADRP CC(C)[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCC[N@H+](Cc3cccc(F)c3)C2)C1 ZINC000604786646 506942845 /nfs/dbraw/zinc/94/28/45/506942845.db2.gz FRTYDTXKBRCWNC-QUCCMNQESA-N 2 0 361.505 3.027 20 0 FGADRP CCN(Cc1cccc(F)c1)C(=O)C[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000590787125 506957920 /nfs/dbraw/zinc/95/79/20/506957920.db2.gz SJJSHFCTZMGAJZ-UHFFFAOYSA-N 2 0 363.521 3.226 20 0 FGADRP C[C@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)NCC[NH+]1CCCCC1 ZINC000591073998 507101802 /nfs/dbraw/zinc/10/18/02/507101802.db2.gz WSHALGGFVVAUPB-IBGZPJMESA-N 2 0 373.541 3.156 20 0 FGADRP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC000591152295 507135703 /nfs/dbraw/zinc/13/57/03/507135703.db2.gz JOZSUVVZZDNSOQ-LEWJYISDSA-N 2 0 357.542 3.450 20 0 FGADRP CC(C)OC(=O)C[C@H]1CCC[N@H+](Cc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000613540316 507141300 /nfs/dbraw/zinc/14/13/00/507141300.db2.gz UATSBQPHOWREQE-LJQANCHMSA-N 2 0 362.514 3.181 20 0 FGADRP C[C@H](CNC(=O)NCCCC[N@@H+]1CCCC[C@@H]1C)[NH+](C)Cc1ccccc1 ZINC000600854957 507148552 /nfs/dbraw/zinc/14/85/52/507148552.db2.gz YKGMGHQIECKASR-VQTJNVASSA-N 2 0 374.573 3.461 20 0 FGADRP Cc1ccc(C[NH+]2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)c(-c2cnn(C)c2)c1 ZINC000584100837 507151619 /nfs/dbraw/zinc/15/16/19/507151619.db2.gz MPFVBZRISQFFKO-IFMALSPDSA-N 2 0 368.525 3.114 20 0 FGADRP COC(=O)c1cc(C[NH2+]CC2CC[NH+](Cc3cccs3)CC2)c(C)o1 ZINC000594614948 507213995 /nfs/dbraw/zinc/21/39/95/507213995.db2.gz OGXDJWPSCKFDRO-UHFFFAOYSA-N 2 0 362.495 3.438 20 0 FGADRP COC(=O)c1cc(C[NH2+]CC2CC[NH+](Cc3ccccc3)CC2)c(C)o1 ZINC000594615574 507215653 /nfs/dbraw/zinc/21/56/53/507215653.db2.gz PUUICJJRPAFHRT-UHFFFAOYSA-N 2 0 356.466 3.376 20 0 FGADRP CC(C)[NH+]1CCC([N@H+](C)CCCCCn2nnc(-c3ccccc3)n2)CC1 ZINC000591374154 507222818 /nfs/dbraw/zinc/22/28/18/507222818.db2.gz BIZBLYXHYQFBGK-UHFFFAOYSA-N 2 0 370.545 3.315 20 0 FGADRP C[C@H](NC(=O)[C@H](C)[NH+]1CCC(Cc2ccccc2)CC1)C1CC[NH+](C)CC1 ZINC000601045986 507241231 /nfs/dbraw/zinc/24/12/31/507241231.db2.gz ZAHJGPSWJLOCOA-OALUTQOASA-N 2 0 371.569 3.176 20 0 FGADRP C[N@H+](CCNC(=O)NC[C@H](c1cccs1)[NH+]1CCCC1)C1CCCC1 ZINC000591543927 507285056 /nfs/dbraw/zinc/28/50/56/507285056.db2.gz RICHQMCFATZDFF-QGZVFWFLSA-N 2 0 364.559 3.059 20 0 FGADRP C[C@@H](CNC(=O)NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C)[NH+](C)C1CC1 ZINC000591554163 507289514 /nfs/dbraw/zinc/28/95/14/507289514.db2.gz UWWONNPSCQXIIJ-ROUUACIJSA-N 2 0 372.557 3.343 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N1CCC[C@@H]1C[NH+]1CCCC1)CC(C)C ZINC000591552240 507289558 /nfs/dbraw/zinc/28/95/58/507289558.db2.gz LSBVDNMZIPZAIR-MOPGFXCFSA-N 2 0 352.567 3.013 20 0 FGADRP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)NCCCC[NH+]2CCCC[C@H]2C)C1 ZINC000591559428 507292500 /nfs/dbraw/zinc/29/25/00/507292500.db2.gz NGGUYVFQIUUPFK-MOPGFXCFSA-N 2 0 352.567 3.061 20 0 FGADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)N2CCC[C@H]2C[NH+]2CCCC2)C1 ZINC000591572874 507298575 /nfs/dbraw/zinc/29/85/75/507298575.db2.gz RCTRWABUPBKSKK-NRSPTQNISA-N 2 0 370.541 3.092 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)NC[C@@H]1CCC[NH+](C)C1 ZINC000594870341 507301399 /nfs/dbraw/zinc/30/13/99/507301399.db2.gz ZBZYTGILJNADFI-MOPGFXCFSA-N 2 0 373.541 3.011 20 0 FGADRP CC(C)[C@@H](CNC(=O)Nc1cccc2c1CC[NH2+]C2)[NH+]1CCC(C)CC1 ZINC000584399072 507324559 /nfs/dbraw/zinc/32/45/59/507324559.db2.gz OIWUDVBFICBZLR-HXUWFJFHSA-N 2 0 358.530 3.210 20 0 FGADRP C[NH+]1CCC(C[NH2+][C@@H]2CCc3ccc(I)cc32)CC1 ZINC000595011651 507354481 /nfs/dbraw/zinc/35/44/81/507354481.db2.gz KKVFGXRQZAUDTC-MRXNPFEDSA-N 2 0 370.278 3.210 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)C[C@H]([NH3+])Cc2ccccc2)C1 ZINC000584588334 507428052 /nfs/dbraw/zinc/42/80/52/507428052.db2.gz BDBKXMXQOYAMNG-HMXCVIKNSA-N 2 0 357.542 3.060 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N1CC[N@H+](C)C[C@@H]1C(C)C)c1ccsc1 ZINC000606637834 507461124 /nfs/dbraw/zinc/46/11/24/507461124.db2.gz HJFJUTLSPIJWBY-QZTJIDSGSA-N 2 0 366.575 3.113 20 0 FGADRP CC[NH+](CC)CCN(CC(C)C)C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000606704666 507490030 /nfs/dbraw/zinc/49/00/30/507490030.db2.gz BJPFAOSMCIHBAH-GOSISDBHSA-N 2 0 352.567 3.013 20 0 FGADRP c1cn([C@H]2CCC[NH+](CCCCC[N@@H+]3CCC[C@H](n4ccnc4)C3)C2)cn1 ZINC000607151848 507634070 /nfs/dbraw/zinc/63/40/70/507634070.db2.gz SKPIHTRXLWDWSO-SFTDATJTSA-N 2 0 370.545 3.224 20 0 FGADRP CC(C)[C@H](C(=O)NCc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1)[NH+](C)C ZINC000592450457 507661170 /nfs/dbraw/zinc/66/11/70/507661170.db2.gz BESQEIGCXPDRGI-LVCYWYKZSA-N 2 0 359.558 3.367 20 0 FGADRP Cc1ccccc1[C@@H](CC(C)C)NC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000607244250 507668519 /nfs/dbraw/zinc/66/85/19/507668519.db2.gz PGOBHDLXANRKIU-HXUWFJFHSA-N 2 0 362.562 3.217 20 0 FGADRP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccccc3CC(F)(F)F)C2)CC1 ZINC000602465335 507719020 /nfs/dbraw/zinc/71/90/20/507719020.db2.gz PQQMGZAEKJMLLO-GOSISDBHSA-N 2 0 355.448 3.003 20 0 FGADRP CCOC(=O)CC1([NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)CCOCC1 ZINC000595876527 507723051 /nfs/dbraw/zinc/72/30/51/507723051.db2.gz KAQWSIUXULZUIC-UHFFFAOYSA-N 2 0 374.525 3.265 20 0 FGADRP COC(=O)[C@H]1CCCC[C@@]1(C)[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000611526026 507723524 /nfs/dbraw/zinc/72/35/24/507723524.db2.gz ILKQNTTVQLECBO-IFMALSPDSA-N 2 0 374.525 3.373 20 0 FGADRP CC(C)[C@@H]([NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1)C1(CO)CCC1 ZINC000644835256 568006671 /nfs/dbraw/zinc/00/66/71/568006671.db2.gz KZSROTNWLYIBAC-OAQYLSRUSA-N 2 0 360.542 3.438 20 0 FGADRP CC[C@@H]1CN(C(=O)NCc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)CC[C@@H]1[NH3+] ZINC000669121474 568069611 /nfs/dbraw/zinc/06/96/11/568069611.db2.gz BHDXGRVJJJGCQH-WMQCIHAUSA-N 2 0 372.557 3.187 20 0 FGADRP CO[C@]1(C(F)(F)F)CCC[N@H+](Cc2ccc(CN3CCOCC3)cc2)C1 ZINC000643252201 568377888 /nfs/dbraw/zinc/37/78/88/568377888.db2.gz OTKCHKWTXJYTED-GOSISDBHSA-N 2 0 372.431 3.062 20 0 FGADRP CCCC[N@H+](C)CC1CC[NH+]([C@H](C)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736453901 599319800 /nfs/dbraw/zinc/31/98/00/599319800.db2.gz SBHHPMAZZOYRQL-MRXNPFEDSA-N 2 0 356.518 3.372 20 0 FGADRP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCCC2)cc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000820432073 599363076 /nfs/dbraw/zinc/36/30/76/599363076.db2.gz LZGLKVKFCBSMGG-INIZCTEOSA-N 2 0 362.481 3.313 20 0 FGADRP C[C@H]([NH2+]Cc1cccc(C[NH+]2CCCC2)c1)c1ccc(-c2nn[nH]n2)cc1 ZINC000820431164 599366395 /nfs/dbraw/zinc/36/63/95/599366395.db2.gz BKRUVUKSQROYML-INIZCTEOSA-N 2 0 362.481 3.313 20 0 FGADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@H]2CCCc3cc(-c4nn[nH]n4)ccc32)C1 ZINC000824261874 608524428 /nfs/dbraw/zinc/52/44/28/608524428.db2.gz SNQSQFNPCKPVJM-UZLBHIALSA-N 2 0 368.529 3.202 20 0 FGADRP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@H](C)C1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824945304 609328351 /nfs/dbraw/zinc/32/83/51/609328351.db2.gz BBNMFNBETTVZDR-LSDHHAIUSA-N 2 0 360.481 3.169 20 0 FGADRP CC(C)[NH+]1CCC(NC(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)CC1 ZINC000047883613 695870210 /nfs/dbraw/zinc/87/02/10/695870210.db2.gz WCSZRNBIMOIWQJ-QGZVFWFLSA-N 2 0 364.559 3.057 20 0 FGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]Cc2ccc(CSC(F)F)o2)CC1 ZINC000105441830 700500803 /nfs/dbraw/zinc/50/08/03/700500803.db2.gz WSBRRRLXXKXYTO-AWEZNQCLSA-N 2 0 361.502 3.099 20 0 FGADRP COCC[N@H+](C)CCCC1CC[NH+](C[C@@H](O)c2ccc(Cl)cc2)CC1 ZINC000122142761 700685010 /nfs/dbraw/zinc/68/50/10/700685010.db2.gz LXXLCOBIWDFPEZ-HXUWFJFHSA-N 2 0 368.949 3.444 20 0 FGADRP C[C@@H]([NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1)c1cccnc1Cl ZINC000124667491 700723147 /nfs/dbraw/zinc/72/31/47/700723147.db2.gz VWTNCWPKTFXAQQ-MRXNPFEDSA-N 2 0 350.938 3.336 20 0 FGADRP CCN(CC1CC[NH+](CC[C@H]2CCC[N@@H+]2C)CC1)C(=O)OC(C)(C)C ZINC000124827617 700725481 /nfs/dbraw/zinc/72/54/81/700725481.db2.gz PVMRHUCXSDSFLK-GOSISDBHSA-N 2 0 353.551 3.440 20 0 FGADRP CN(c1ccccc1C[NH2+]C[C@H]1CSCCS1)C1CC[NH+](C)CC1 ZINC000151134621 704913304 /nfs/dbraw/zinc/91/33/04/704913304.db2.gz JKNZDZKMMVSYAE-SFHVURJKSA-N 2 0 365.612 3.155 20 0 FGADRP COc1ccc(Cl)cc1N1CC[C@H]([NH2+][C@H](C)C2CC[NH+](C)CC2)C1 ZINC000157984451 705169231 /nfs/dbraw/zinc/16/92/31/705169231.db2.gz ALOPHUVCTIHGFU-PBHICJAKSA-N 2 0 351.922 3.247 20 0 FGADRP C[C@@H]([NH2+][C@H]1CCN(c2ccccc2Br)C1)C1CC[NH+](C)CC1 ZINC000162483869 705297045 /nfs/dbraw/zinc/29/70/45/705297045.db2.gz DFFAOUARECYXQD-ZBFHGGJFSA-N 2 0 366.347 3.348 20 0 FGADRP [NH3+][C@H](C(=O)NCc1cccc(C[NH+]2CCCC2)c1)c1cccc(Cl)c1 ZINC000164738690 705331906 /nfs/dbraw/zinc/33/19/06/705331906.db2.gz HNJZQHXTRGNAFO-IBGZPJMESA-N 2 0 357.885 3.252 20 0 FGADRP C[C@H]1C[C@H](C)C[NH+](CCC[NH2+]C2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000177221919 705613586 /nfs/dbraw/zinc/61/35/86/705613586.db2.gz PTWYDXQHYBJQPT-IRXDYDNUSA-N 2 0 353.551 3.344 20 0 FGADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H](C)c1ccc(Br)cc1O ZINC000185671449 712699485 /nfs/dbraw/zinc/69/94/85/712699485.db2.gz KLBZQWPYANTPRT-OCCSQVGLSA-N 2 0 359.308 3.162 20 0 FGADRP C[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C)C[NH+]1CCCC1 ZINC000237514681 713592877 /nfs/dbraw/zinc/59/28/77/713592877.db2.gz NQZZGDJOOJMVPF-CSNJMZFVSA-N 2 0 351.535 3.238 20 0 FGADRP CCC[N@H+](C)C[C@H]1CC[NH+](C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000245425320 713604952 /nfs/dbraw/zinc/60/49/52/713604952.db2.gz KPHJCBUELCULDO-QZTJIDSGSA-N 2 0 353.551 3.297 20 0 FGADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@H]2CCC[C@H]2CNC(=O)OC(C)(C)C)C1 ZINC000245921340 713614119 /nfs/dbraw/zinc/61/41/19/713614119.db2.gz HBCSVIQYIQSOFI-SQNIBIBYSA-N 2 0 353.551 3.390 20 0 FGADRP C[NH+](C)CCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000305146157 713792560 /nfs/dbraw/zinc/79/25/60/713792560.db2.gz FPOBDRZTJYTXLW-KSZLIROESA-N 2 0 353.551 3.486 20 0 FGADRP C[C@H](C[C@@H]1CCCN1C(=O)OC(C)(C)C)[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000385422807 713983061 /nfs/dbraw/zinc/98/30/61/713983061.db2.gz GZUBRKAQCBXICA-SJORKVTESA-N 2 0 353.551 3.486 20 0 FGADRP O[C@@H]1[C@@H]([NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CCCC1(F)F ZINC000414299996 714003936 /nfs/dbraw/zinc/00/39/36/714003936.db2.gz LDAAJZRYPXZFIN-QXCZDIPSSA-N 2 0 350.453 3.035 20 0 FGADRP C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000414933975 714006006 /nfs/dbraw/zinc/00/60/06/714006006.db2.gz XMARLJIKLVFMDC-DYEKYZERSA-N 2 0 359.392 3.162 20 0 FGADRP CC(C)[N@H+](C)CCNC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000523195820 714222244 /nfs/dbraw/zinc/22/22/44/714222244.db2.gz AYQVNOHPNKKTMY-SFHVURJKSA-N 2 0 366.937 3.116 20 0 FGADRP O=C(C[N@@H+]1CCC[C@H]1C1CCCC1)N1CCN(Cc2cccs2)CC1 ZINC000615459286 714529561 /nfs/dbraw/zinc/52/95/61/714529561.db2.gz JAUMFMPPJQKIJM-IBGZPJMESA-N 2 0 361.555 3.047 20 0 FGADRP CC1CC[NH+]([C@H](CNC(=O)CC[C@@H]2CCC[NH2+]C2)c2cccs2)CC1 ZINC000621641146 715013506 /nfs/dbraw/zinc/01/35/06/715013506.db2.gz BESPDYUHRMHKBH-ZWKOTPCHSA-N 2 0 363.571 3.417 20 0 FGADRP CC[NH+](CC)CCN(Cc1cccs1)C(=O)CC[C@H]1CCC[NH2+]C1 ZINC000621641220 715013665 /nfs/dbraw/zinc/01/36/65/715013665.db2.gz DCSDXRRWZMLXME-QGZVFWFLSA-N 2 0 351.560 3.198 20 0 FGADRP O=C(CC[C@H]1CCC[NH2+]C1)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000621641861 715014057 /nfs/dbraw/zinc/01/40/57/715014057.db2.gz YVHFREHKTWMFPY-VQIMIIECSA-N 2 0 363.933 3.373 20 0 FGADRP Brc1ccc([C@H]([NH2+]C[C@@H]2CCC[NH2+]C2)[C@@H]2CCCO2)cc1 ZINC000643500784 718036834 /nfs/dbraw/zinc/03/68/34/718036834.db2.gz INDYOUNTBDPUEY-COXVUDFISA-N 2 0 353.304 3.258 20 0 FGADRP Brc1ccc([C@H]([NH2+][C@@H]2CCC[NH2+]CC2)[C@H]2CCCO2)cc1 ZINC000643523198 718037454 /nfs/dbraw/zinc/03/74/54/718037454.db2.gz XLEYIGFAXKKTHP-ZACQAIPSSA-N 2 0 353.304 3.401 20 0 FGADRP COc1cc(Br)c(CN[C@H]2CC[N@H+](C)C(C)(C)C2)cc1OC ZINC000623405335 715329191 /nfs/dbraw/zinc/32/91/91/715329191.db2.gz BXVLTMLPAAMHBS-ZDUSSCGKSA-N 2 0 371.319 3.429 20 0 FGADRP CCC[C@H]([NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1cc(C)sc1C ZINC000623888672 715424972 /nfs/dbraw/zinc/42/49/72/715424972.db2.gz PKPATUGQOJOHCK-WMZOPIPTSA-N 2 0 351.560 3.383 20 0 FGADRP C[NH+](C)C[C@H](NC(=O)N[C@@H]1CCC[C@H]([NH3+])C1)c1ccc(Cl)c(Cl)c1 ZINC000627087224 715995227 /nfs/dbraw/zinc/99/52/27/715995227.db2.gz HSGCRDMDGYQIMS-ZENOOKHLSA-N 2 0 373.328 3.165 20 0 FGADRP C[NH+](C)CCCCC(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000628968767 716193543 /nfs/dbraw/zinc/19/35/43/716193543.db2.gz OWDDFKOGEPURTG-INIZCTEOSA-N 2 0 360.329 3.444 20 0 FGADRP C[NH2+]CCOCC[NH2+][C@@H]1c2cc(Br)ccc2SC[C@H]1C ZINC000629529891 716303669 /nfs/dbraw/zinc/30/36/69/716303669.db2.gz PRPYARQXZRJQEX-ABAIWWIYSA-N 2 0 359.333 3.058 20 0 FGADRP CC[C@@H]1[C@@H](C(=O)Nc2cc(C[NH+]3CCSCC3)ccc2C)CC[N@@H+]1C ZINC000630871193 716523669 /nfs/dbraw/zinc/52/36/69/716523669.db2.gz ICIALPTVLIHQCP-PKOBYXMFSA-N 2 0 361.555 3.213 20 0 FGADRP C[NH+]1CCC(N2CC[C@@H]([NH2+]Cc3ccc(CC(F)(F)F)cc3)C2)CC1 ZINC000631070131 716558551 /nfs/dbraw/zinc/55/85/51/716558551.db2.gz NWCTYEHGQQAVLQ-QGZVFWFLSA-N 2 0 355.448 3.050 20 0 FGADRP CC[NH+](CC)CCC[C@H](C)NC(=O)[C@H]([NH3+])c1ccc(C(F)(F)F)cc1 ZINC000638048001 717404208 /nfs/dbraw/zinc/40/42/08/717404208.db2.gz LWQKGGGFCKFAAY-XJKSGUPXSA-N 2 0 359.436 3.332 20 0 FGADRP C[NH+](C)C[C@H](NC(=O)c1coc(C[NH3+])c1)c1ccc(Cl)c(Cl)c1 ZINC000638664591 717473999 /nfs/dbraw/zinc/47/39/99/717473999.db2.gz RAAQNPHQPRULPE-HNNXBMFYSA-N 2 0 356.253 3.078 20 0 FGADRP C[N@@H+]1CCC[C@H](CC[NH2+]Cc2nc3cc(Br)ccc3o2)C1 ZINC000639258130 717538359 /nfs/dbraw/zinc/53/83/59/717538359.db2.gz ZXALTRPJYCFGSM-GFCCVEGCSA-N 2 0 352.276 3.412 20 0 FGADRP C[C@H](C(=O)Nc1nc2ccccc2s1)[N@@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639757760 717598785 /nfs/dbraw/zinc/59/87/85/717598785.db2.gz PEGGXJYLERXRBX-CQSZACIVSA-N 2 0 358.511 3.041 20 0 FGADRP O[C@H](C[NH2+]C1CC[NH+](C2CCC2)CC1)COc1ccc(Cl)c(Cl)c1 ZINC000644663770 718139888 /nfs/dbraw/zinc/13/98/88/718139888.db2.gz JQDNPWQGOZQIFJ-OAHLLOKOSA-N 2 0 373.324 3.340 20 0 FGADRP CCCN(C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1)[C@H]1CC[N@H+](C)C1 ZINC000645118270 718183897 /nfs/dbraw/zinc/18/38/97/718183897.db2.gz NZKIAFUPVYDDGG-DLBZAZTESA-N 2 0 364.559 3.011 20 0 FGADRP FC(F)(F)c1ccccc1N1CC[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000647795876 718378128 /nfs/dbraw/zinc/37/81/28/718378128.db2.gz YNTAMIQLHBRULD-QXSJWSMHSA-N 2 0 353.432 3.262 20 0 FGADRP CC(C)(O)C[NH+]1CCC([NH2+][C@H]2CCCN(c3ccccc3Cl)C2)CC1 ZINC000647909336 718386146 /nfs/dbraw/zinc/38/61/46/718386146.db2.gz DDUKWDXYAOHVRT-KRWDZBQOSA-N 2 0 365.949 3.134 20 0 FGADRP C[C@H](NC(=O)C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1)c1ccccc1Cl ZINC000647976895 718391355 /nfs/dbraw/zinc/39/13/55/718391355.db2.gz VWOUOOFYKDMNEE-GVDBMIGSSA-N 2 0 363.933 3.229 20 0 FGADRP CN(Cc1ccc(Cl)s1)C(=O)C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647976292 718391436 /nfs/dbraw/zinc/39/14/36/718391436.db2.gz MOTVEDLHFCAIAU-HUUCEWRRSA-N 2 0 369.962 3.072 20 0 FGADRP C[C@@H](NC(=O)C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)c1ccc(Cl)cc1Cl ZINC000647980513 718391966 /nfs/dbraw/zinc/39/19/66/718391966.db2.gz QZNVLVSVNACZHJ-MCIONIFRSA-N 2 0 370.324 3.102 20 0 FGADRP C[C@@H](COc1ccc(Cl)c(Cl)c1)[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000648415995 718423978 /nfs/dbraw/zinc/42/39/78/718423978.db2.gz BNTLOJOBHCQHJH-AWEZNQCLSA-N 2 0 374.356 3.376 20 0 FGADRP [NH3+][C@H](C(=O)NCc1ccc(C[NH+]2CCCC2)cc1)c1cccc(Cl)c1 ZINC000649281439 718500885 /nfs/dbraw/zinc/50/08/85/718500885.db2.gz IUBRGVDUVCXHFW-IBGZPJMESA-N 2 0 357.885 3.252 20 0 FGADRP C[NH+](C)[C@H](CNC(=O)[C@@H]([NH3+])c1cccc(Cl)c1)c1ccc(Cl)cc1 ZINC000649346443 718506214 /nfs/dbraw/zinc/50/62/14/718506214.db2.gz HUKXFXQQNANIOY-SJORKVTESA-N 2 0 366.292 3.412 20 0 FGADRP O=C(C[NH2+]C1(C2CCC2)CC1)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000649810644 718570349 /nfs/dbraw/zinc/57/03/49/718570349.db2.gz SYKGJNRZYYNKLX-UHFFFAOYSA-N 2 0 359.539 3.096 20 0 FGADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@H+](Cc3ccc(F)c(Br)c3)C2)C1 ZINC000650705740 718716989 /nfs/dbraw/zinc/71/69/89/718716989.db2.gz UGWWFEUQURYYJI-JJRVBVJISA-N 2 0 371.294 3.307 20 0 FGADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@@H+]2Cc2cccc(OC(F)(F)F)c2)C1 ZINC000650723256 718720678 /nfs/dbraw/zinc/72/06/78/718720678.db2.gz KKPPDPYDFURYDN-HYVNUMGLSA-N 2 0 358.404 3.446 20 0 FGADRP Cn1c2ccc(Cl)cc2nc1C[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000650723449 718720715 /nfs/dbraw/zinc/72/07/15/718720715.db2.gz NTUWPZYEXQMGPI-QGTPRVQTSA-N 2 0 362.905 3.088 20 0 FGADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2Cc2cnc(-c3ccncc3)s2)C1 ZINC000650723390 718720819 /nfs/dbraw/zinc/72/08/19/718720819.db2.gz NFNCZGRVGRYQNC-NJAFHUGGSA-N 2 0 358.511 3.066 20 0 FGADRP COc1ccc(C[N@@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)c(Cl)c1OC ZINC000650724084 718721308 /nfs/dbraw/zinc/72/13/08/718721308.db2.gz YCLNYJRCTANMCT-ZMSDIMECSA-N 2 0 368.905 3.218 20 0 FGADRP Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@@H]2[NH2+]CCC2CC[NH2+]CC2)cc1 ZINC000650763430 718724585 /nfs/dbraw/zinc/72/45/85/718724585.db2.gz ZZRRSGOLLQGPNP-VQTJNVASSA-N 2 0 364.555 3.059 20 0 FGADRP CC[N@H+](CCCNC(=O)N1CCC(C[NH+](C)C)CC1)C1CCCCC1 ZINC000651220796 718784317 /nfs/dbraw/zinc/78/43/17/718784317.db2.gz VNPNZUNEBGJUAY-UHFFFAOYSA-N 2 0 352.567 3.014 20 0 FGADRP C[N@H+](Cc1ccc(N2CCC3(CC[NH2+]CC3)[C@@H]2C(F)(F)F)nc1)C1CC1 ZINC001164388899 718815343 /nfs/dbraw/zinc/81/53/43/718815343.db2.gz RJVLZXUDDPRFPG-QGZVFWFLSA-N 2 0 368.447 3.187 20 0 FGADRP CCC[N@H+](C)[C@@H](CNC(=O)NCCC1(C[NH3+])CC1)c1ccc(Cl)cc1 ZINC000652191351 718921873 /nfs/dbraw/zinc/92/18/73/718921873.db2.gz RYJQLSLGISTXLF-KRWDZBQOSA-N 2 0 366.937 3.151 20 0 FGADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@H+](CCOc3ccc(F)cc3Cl)C2)C1 ZINC000652349450 718935151 /nfs/dbraw/zinc/93/51/51/718935151.db2.gz OYGLSVIDZIOCFS-JOQOYGCGSA-N 2 0 356.869 3.076 20 0 FGADRP Cc1nc(C(F)(F)F)c(C[N@@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)s1 ZINC000652349618 718935219 /nfs/dbraw/zinc/93/52/19/718935219.db2.gz VNRDPBZXCSDZMV-XQQFMLRXSA-N 2 0 363.449 3.189 20 0 FGADRP Cc1nc(C(F)(F)F)c(C[N@@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)s1 ZINC000652349617 718935277 /nfs/dbraw/zinc/93/52/77/718935277.db2.gz VNRDPBZXCSDZMV-RWMBFGLXSA-N 2 0 363.449 3.189 20 0 FGADRP COc1ccc(Cl)cc1NC(=O)CC[N@@H+]1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000652354085 718935945 /nfs/dbraw/zinc/93/59/45/718935945.db2.gz MRMVGRPDYNGEBF-CZUORRHYSA-N 2 0 353.894 3.127 20 0 FGADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2CCC(=O)Nc2ccccc2Cl)C1 ZINC000652361766 718936860 /nfs/dbraw/zinc/93/68/60/718936860.db2.gz OVAOELYFLUCJNF-JLSDUUJJSA-N 2 0 365.905 3.029 20 0 FGADRP CSc1ccc(OCC[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)cc1 ZINC000652362553 718936887 /nfs/dbraw/zinc/93/68/87/718936887.db2.gz JOGASRKTJDCWPR-LZQZEXGQSA-N 2 0 350.528 3.148 20 0 FGADRP O=C(NCCC[NH2+]C1CC1)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000652613967 718966416 /nfs/dbraw/zinc/96/64/16/718966416.db2.gz JJVSGHVJWJIBDC-UHFFFAOYSA-N 2 0 362.543 3.138 20 0 FGADRP CCOC(=O)C1CC[NH+](C2CCN(c3[nH+]c(C)cc4[nH]ccc43)CC2)CC1 ZINC001164616962 719027991 /nfs/dbraw/zinc/02/79/91/719027991.db2.gz FZYPRFZPQCOIJM-UHFFFAOYSA-N 2 0 370.497 3.115 20 0 FGADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000654857712 719240733 /nfs/dbraw/zinc/24/07/33/719240733.db2.gz CFWARYQESFTSPD-GOSISDBHSA-N 2 0 361.555 3.213 20 0 FGADRP Cc1ccc(-c2ncc(C[NH2+]CCCN3CC[NH+](C)CC3)s2)cc1C ZINC000655704705 719327603 /nfs/dbraw/zinc/32/76/03/719327603.db2.gz ILKCASFWWOMZAR-UHFFFAOYSA-N 2 0 358.555 3.154 20 0 FGADRP COCC[N@H+](C)CCOc1cccc(C[NH2+][C@H]2CC[C@H](C)SC2)c1 ZINC000655707774 719328155 /nfs/dbraw/zinc/32/81/55/719328155.db2.gz CNPPQEKZZBYPKV-WMZOPIPTSA-N 2 0 352.544 3.017 20 0 FGADRP c1cc(-c2n[nH]cc2C[NH2+]CC2CC[NH+](C3CCOCC3)CC2)cs1 ZINC000657537309 719667929 /nfs/dbraw/zinc/66/79/29/719667929.db2.gz HHQZAQMJPRDYHR-UHFFFAOYSA-N 2 0 360.527 3.119 20 0 FGADRP CC(C)C[C@H]([NH2+][C@@H](C)c1cc2ccncc2s1)C(=O)NCC[NH+](C)C ZINC000657956075 719735739 /nfs/dbraw/zinc/73/57/39/719735739.db2.gz RRTSBNGIXKFVER-HOCLYGCPSA-N 2 0 362.543 3.039 20 0 FGADRP CC(C)CO[C@H]1C[C@@H]([NH2+]CC2CC[NH+](C3CCOCC3)CC2)C1(C)C ZINC000658066767 719750558 /nfs/dbraw/zinc/75/05/58/719750558.db2.gz DYBBNDJSONQGRK-UXHICEINSA-N 2 0 352.563 3.307 20 0 FGADRP CN(CC[N@H+](C)CCSc1ccc(F)cc1F)C1CC[NH+](C)CC1 ZINC000660138973 719996664 /nfs/dbraw/zinc/99/66/64/719996664.db2.gz DIASKBGCUXTZLL-UHFFFAOYSA-N 2 0 357.514 3.015 20 0 FGADRP CC1(C)C[C@@H]([NH+]2CCCC3(CCC[N@@H+]([C@H]4COC(C)(C)C4)C3)C2)CO1 ZINC000660566829 720074874 /nfs/dbraw/zinc/07/48/74/720074874.db2.gz RYXXNOHUJQPFEX-FYQIFJIOSA-N 2 0 350.547 3.299 20 0 FGADRP C[NH+](C)[C@H](CNC(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C)c1ccc(Cl)cc1 ZINC000661404270 720242938 /nfs/dbraw/zinc/24/29/38/720242938.db2.gz VZSIHZBZVOVMLG-IAGOWNOFSA-N 2 0 366.937 3.115 20 0 FGADRP C[C@@H](C(=O)NCc1ccccc1Cl)[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662290750 720410566 /nfs/dbraw/zinc/41/05/66/720410566.db2.gz JLEAKVBWOPURRC-RDJZCZTQSA-N 2 0 363.933 3.056 20 0 FGADRP C[C@@H](C(=O)Nc1cc(F)ccc1F)[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662294658 720411330 /nfs/dbraw/zinc/41/13/30/720411330.db2.gz DJYTYPMIIVOOSN-ZFWWWQNUSA-N 2 0 351.441 3.003 20 0 FGADRP CC[N@H+](C[C@@H]1CCC2(C[NH2+]C2)O1)[C@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC000662320864 720414889 /nfs/dbraw/zinc/41/48/89/720414889.db2.gz XFSJWFZYGXFMHF-PBHICJAKSA-N 2 0 356.432 3.479 20 0 FGADRP CC1CC[NH+]([C@@H](CNC(=O)C2([NH2+]C3CC3)CCC2)c2cccs2)CC1 ZINC000662663515 720450482 /nfs/dbraw/zinc/45/04/82/720450482.db2.gz NQSWHFMSNLOSSL-KRWDZBQOSA-N 2 0 361.555 3.312 20 0 FGADRP CSc1ccc([C@@H](C)NC(=O)N[C@@H](C)CN(C)CCC[NH+](C)C)cc1 ZINC000664814617 720693778 /nfs/dbraw/zinc/69/37/78/720693778.db2.gz DOVBVCVNGJGCFL-JKSUJKDBSA-N 2 0 366.575 3.041 20 0 FGADRP CC[C@@H]([NH2+]C1CCN(C(=O)CCC[NH2+]C)CC1)c1ccc(Cl)s1 ZINC000665287314 720749990 /nfs/dbraw/zinc/74/99/90/720749990.db2.gz HVXXHBIDWSEWNL-CQSZACIVSA-N 2 0 357.951 3.433 20 0 FGADRP FC(F)(F)c1ccn(-c2ccc(C[NH2+][C@H]3CC34CC[NH2+]CC4)cc2)n1 ZINC000666953994 721004659 /nfs/dbraw/zinc/00/46/59/721004659.db2.gz NEHGVHIXLVUPPU-INIZCTEOSA-N 2 0 350.388 3.123 20 0 FGADRP C[C@@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+][C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000666995205 721010722 /nfs/dbraw/zinc/01/07/22/721010722.db2.gz GHLWTRBSVNCJKX-MAUKXSAKSA-N 2 0 363.933 3.341 20 0 FGADRP Cc1ccc(OC(F)F)c([C@@H](C)[NH2+]CC(C)(C)N2CC[NH+](C)CC2)c1 ZINC000675742721 721771872 /nfs/dbraw/zinc/77/18/72/721771872.db2.gz VVHGYHXWLSQSNP-OAHLLOKOSA-N 2 0 355.473 3.273 20 0 FGADRP C[C@@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)c1sccc1Br ZINC000675876418 721777199 /nfs/dbraw/zinc/77/71/99/721777199.db2.gz WRDXJSAQYHBQAR-OLZOCXBDSA-N 2 0 372.376 3.330 20 0 FGADRP C[NH+]1CCC(N2CC[C@H]([NH2+][C@H]3CCCOc4ccc(Cl)cc43)C2)CC1 ZINC000675875683 721777258 /nfs/dbraw/zinc/77/72/58/721777258.db2.gz WOMYIGCDRGHRLW-LPHOPBHVSA-N 2 0 363.933 3.312 20 0 FGADRP Cc1cc(Cl)cc2c1OCCC[C@@H]2[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000676235483 721792225 /nfs/dbraw/zinc/79/22/25/721792225.db2.gz IKYOBFZYUWPRPI-SFHVURJKSA-N 2 0 365.949 3.478 20 0 FGADRP CN(C)c1cc[nH+]c(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)c1 ZINC001165026192 721811027 /nfs/dbraw/zinc/81/10/27/721811027.db2.gz PKHYISWOWMRXEH-IOMROCGXSA-N 2 0 365.525 3.280 20 0 FGADRP CN(C)c1cc[nH+]c(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)c1 ZINC001165026189 721811273 /nfs/dbraw/zinc/81/12/73/721811273.db2.gz PKHYISWOWMRXEH-DZFGPLHGSA-N 2 0 365.525 3.280 20 0 FGADRP CCc1nc(CN2CCC(C[NH2+][C@H]3CC[N@@H+]4CCC[C@H]4C3)CC2)cs1 ZINC000677241505 721875784 /nfs/dbraw/zinc/87/57/84/721875784.db2.gz PONXFCIGPOEUKY-HKUYNNGSSA-N 2 0 362.587 3.134 20 0 FGADRP CC[N@@H+]1CC[C@H]([NH2+]CCC2=CCN(C(=O)OC(C)(C)C)CC2)[C@H](C)C1 ZINC000793330599 723425728 /nfs/dbraw/zinc/42/57/28/723425728.db2.gz JWKGZRVEADMBNL-AEFFLSMTSA-N 2 0 351.535 3.264 20 0 FGADRP C[NH+](C)CCOc1ccc(C[NH2+]C[C@](C)(O)c2ccccc2Cl)cc1 ZINC000764983880 723466013 /nfs/dbraw/zinc/46/60/13/723466013.db2.gz QWOLIGBKVJWBCA-FQEVSTJZSA-N 2 0 362.901 3.278 20 0 FGADRP CC(C)(C)OC(=O)N1CC[C@H]2C[N@H+](CCC[NH+]3CCCCC3)CC[C@H]21 ZINC000795126449 723565588 /nfs/dbraw/zinc/56/55/88/723565588.db2.gz WJRBJCJIGHDRSD-ZWKOTPCHSA-N 2 0 351.535 3.194 20 0 FGADRP CC[NH+]1CCC(C[NH2+]C2CCC(CNC(=O)OC(C)(C)C)CC2)CC1 ZINC000796285772 723630336 /nfs/dbraw/zinc/63/03/36/723630336.db2.gz XCUMHYWGBFEZJZ-UHFFFAOYSA-N 2 0 353.551 3.391 20 0 FGADRP CC(C)N(CCC[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21)C(=O)OC(C)(C)C ZINC000796766818 723654045 /nfs/dbraw/zinc/65/40/45/723654045.db2.gz YDOCGLQYFKOSSX-KSZLIROESA-N 2 0 353.551 3.484 20 0 FGADRP CC[N@@H+]1CCC[C@H](C[NH2+][C@H](C)C[C@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000772875167 723770355 /nfs/dbraw/zinc/77/03/55/723770355.db2.gz LGFRWSHOGQWTHW-KZNAEPCWSA-N 2 0 353.551 3.486 20 0 FGADRP Cc1cc(C[NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)cc(Cl)n1 ZINC000797602658 723840806 /nfs/dbraw/zinc/84/08/06/723840806.db2.gz ONCAZAPHVFFFCQ-UHFFFAOYSA-N 2 0 359.901 3.290 20 0 FGADRP Ic1ccccc1C[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000775022916 723953173 /nfs/dbraw/zinc/95/31/73/723953173.db2.gz IKUBHPDLODDTIW-UHFFFAOYSA-N 2 0 370.278 3.255 20 0 FGADRP Cc1cc(Br)cc(C[NH2+]C2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)c1 ZINC000775031809 723954166 /nfs/dbraw/zinc/95/41/66/723954166.db2.gz TZBSPJQPFIRBIU-MSOLQXFVSA-N 2 0 367.331 3.225 20 0 FGADRP C[NH+]1CCC2(CCC[N@H+](Cc3cc(O)ccc3Br)C2)CC1 ZINC000798957371 723979927 /nfs/dbraw/zinc/97/99/27/723979927.db2.gz UQZGMJKZHAXTIB-UHFFFAOYSA-N 2 0 353.304 3.463 20 0 FGADRP C[NH+](C)CCOc1ccc(CC[NH2+][C@@H]2CC[C@@H]3SCCS[C@H]23)cc1 ZINC000775387052 723987455 /nfs/dbraw/zinc/98/74/55/723987455.db2.gz VXMAVEJCLOUBSJ-CEXWTWQISA-N 2 0 366.596 3.139 20 0 FGADRP CC[NH+](CC)Cc1cc([C@H](C)[NH2+]CCN2CCSCC2)ccc1OC ZINC000775387701 723987697 /nfs/dbraw/zinc/98/76/97/723987697.db2.gz LOJBIWPLHFVYCF-KRWDZBQOSA-N 2 0 365.587 3.236 20 0 FGADRP CC(C)(C)OC(=O)NCC[C@H]1CCC[N@H+](CCC[NH+]2CCCCC2)C1 ZINC000799360592 724018129 /nfs/dbraw/zinc/01/81/29/724018129.db2.gz OXDIFKPGCOWFFI-GOSISDBHSA-N 2 0 353.551 3.489 20 0 FGADRP COc1ccc([C@H](C)[NH2+]CC2([S@@](C)=O)CC2)cc1C[NH+]1CCCCC1 ZINC000799727408 724088229 /nfs/dbraw/zinc/08/82/29/724088229.db2.gz JIWKXTPNFUSOSK-IVCQMTBJSA-N 2 0 364.555 3.243 20 0 FGADRP O[C@H]1CC[N@H+](Cc2ccccc2C[NH2+][C@H]2CCc3nc(Cl)ccc32)C1 ZINC000806157440 725118686 /nfs/dbraw/zinc/11/86/86/725118686.db2.gz FVOGJLGYFPLEBK-WMZOPIPTSA-N 2 0 357.885 3.079 20 0 FGADRP CSC1(C[NH2+]CCN(C(=O)OC(C)(C)C)C(C)(C)C)CC[NH+](C)CC1 ZINC000811513686 725371415 /nfs/dbraw/zinc/37/14/15/725371415.db2.gz METUTUIGLYSAIP-UHFFFAOYSA-N 2 0 373.607 3.439 20 0 FGADRP CC(C)[C@@H](C)[NH2+]C1CCC([NH+]2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000812744508 726807729 /nfs/dbraw/zinc/80/77/29/726807729.db2.gz HTZADWCPENYELD-WWDZGPRUSA-N 2 0 353.551 3.484 20 0 FGADRP COc1ccc(C[NH+]2CCC(C[NH2+]Cc3cnn(C)c3Cl)CC2)cc1 ZINC000815120656 727041165 /nfs/dbraw/zinc/04/11/65/727041165.db2.gz LOJLVVHIKLYDPT-UHFFFAOYSA-N 2 0 362.905 3.084 20 0 FGADRP CC[NH+](CC)Cc1cc([C@H](C)N[C@@H]2C[NH2+]CCC2(F)F)ccc1OC ZINC000817979712 727290143 /nfs/dbraw/zinc/29/01/43/727290143.db2.gz DKBHVTPWSWRMTA-KBXCAEBGSA-N 2 0 355.473 3.185 20 0 FGADRP CCCC[NH+]1CCC([NH2+]C[C@@H](O)c2ccc(OC(F)(F)F)cc2)CC1 ZINC000819043135 727341140 /nfs/dbraw/zinc/34/11/40/727341140.db2.gz PRWSWCUNGKGJQJ-QGZVFWFLSA-N 2 0 360.420 3.473 20 0 FGADRP CC[NH+]1CCC(CC[NH2+]C[C@H](O)c2ccc(OC(F)(F)F)cc2)CC1 ZINC000819106839 727348498 /nfs/dbraw/zinc/34/84/98/727348498.db2.gz QWWXIXQBPBECBE-KRWDZBQOSA-N 2 0 360.420 3.330 20 0 FGADRP CSc1ccc([C@@H](CNC(=O)CCCC[NH+]2CCCC2)[NH+](C)C)cc1 ZINC000819341947 727369308 /nfs/dbraw/zinc/36/93/08/727369308.db2.gz NDUNEAMFSQEVON-LJQANCHMSA-N 2 0 363.571 3.394 20 0 FGADRP C[N@@H+]1CCC[C@H](CC[NH2+]C[C@](C)(O)c2ccc(Br)cc2F)C1 ZINC000819366070 727371290 /nfs/dbraw/zinc/37/12/90/727371290.db2.gz ICHAOCVJNGPZNZ-DYVFJYSZSA-N 2 0 373.310 3.117 20 0 FGADRP CC(C)[C@H](CNC(=O)OC(C)(C)C)C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000823465423 729283189 /nfs/dbraw/zinc/28/31/89/729283189.db2.gz YBRDNZXHMOTDCC-ZWKOTPCHSA-N 2 0 353.551 3.201 20 0 FGADRP CC(C)[C@H](CNC(=O)OC(C)(C)C)C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000824371298 729334182 /nfs/dbraw/zinc/33/41/82/729334182.db2.gz YTILWKZCYJHOPA-HRBLRVMOSA-N 2 0 353.551 3.340 20 0 FGADRP CCC[NH+]1CCN(c2ccc(NC(=O)CC[NH2+]C(C)C)cc2Cl)CC1 ZINC000827617014 729432355 /nfs/dbraw/zinc/43/23/55/729432355.db2.gz AIGGXGGFSUEXGC-UHFFFAOYSA-N 2 0 366.937 3.199 20 0 FGADRP Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)c1cccc(C[NH3+])c1 ZINC000828048815 729439210 /nfs/dbraw/zinc/43/92/10/729439210.db2.gz GPWWPKORKTYBKO-UHFFFAOYSA-N 2 0 355.507 3.255 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)C[C@H]([NH3+])c1cc(C)nc(Cl)c1)CC(C)C ZINC000831137925 729620634 /nfs/dbraw/zinc/62/06/34/729620634.db2.gz FIFLAIBPGDSNGA-IRXDYDNUSA-N 2 0 368.953 3.306 20 0 FGADRP C[C@H]([NH2+]CC1CC[NH+](C2CC2)CC1)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000834787283 729834182 /nfs/dbraw/zinc/83/41/82/729834182.db2.gz JTYUOXUVSHIYBU-YJBOKZPZSA-N 2 0 351.535 3.238 20 0 FGADRP CSC1(C[NH2+][C@@H](C)[C@H]2CCCN2C(=O)OC(C)(C)C)CC[NH+](C)CC1 ZINC000834806280 729835721 /nfs/dbraw/zinc/83/57/21/729835721.db2.gz AGQUIILQOKDDLQ-JKSUJKDBSA-N 2 0 371.591 3.191 20 0 FGADRP C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1[NH2+]CCCC[N@H+](C)C1CC1 ZINC000834909767 729845617 /nfs/dbraw/zinc/84/56/17/729845617.db2.gz UFOCRGYOCFXXDZ-AEFFLSMTSA-N 2 0 353.551 3.486 20 0 FGADRP CN(C(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1)C1CCC([NH3+])CC1 ZINC000841835254 730280037 /nfs/dbraw/zinc/28/00/37/730280037.db2.gz MPDZPLFIAWBLHJ-YHOLWWCESA-N 2 0 364.559 3.042 20 0 FGADRP C[N@H+](Cc1nc(-c2ccc(Br)s2)no1)C1CCC([NH3+])CC1 ZINC000843355359 730610001 /nfs/dbraw/zinc/61/00/01/730610001.db2.gz LTASRRZJPFWZPB-UHFFFAOYSA-N 2 0 371.304 3.262 20 0 FGADRP C[C@@H]1C[C@H]([NH2+]C2CCC(C[NH+](C)C)CC2)CN(C(=O)OC(C)(C)C)C1 ZINC000843401707 730615329 /nfs/dbraw/zinc/61/53/29/730615329.db2.gz KBKPWEBYUIRNME-CPFNUKBASA-N 2 0 353.551 3.342 20 0 FGADRP C[C@@H]1CCC[N@H+](CC[C@@H]2CCC[NH+]2C)[C@H]1CCNC(=O)OC(C)(C)C ZINC000844401673 730712783 /nfs/dbraw/zinc/71/27/83/730712783.db2.gz NZAOIMCWPMQZTE-SQNIBIBYSA-N 2 0 353.551 3.486 20 0 FGADRP C[C@H](C[NH2+]C1CC(CCNC(=O)OC(C)(C)C)C1)C[NH+]1CCCCC1 ZINC000845928757 730910288 /nfs/dbraw/zinc/91/02/88/730910288.db2.gz QLRRBZYERVAJJG-WWDZGPRUSA-N 2 0 353.551 3.391 20 0 FGADRP C[NH+](C)C[C@H](CNC(=O)CCCC[NH+]1CCCC1)c1ccc(Cl)cc1 ZINC000846132382 730931563 /nfs/dbraw/zinc/93/15/63/730931563.db2.gz ZZPJVXWTNSQHFH-SFHVURJKSA-N 2 0 365.949 3.368 20 0 FGADRP CN1CCC([NH+]2CCC(CC[N@H+](C)CC3(Br)CC3)CC2)CC1 ZINC000846814214 730983401 /nfs/dbraw/zinc/98/34/01/730983401.db2.gz OGUPTIJYUFGTIV-UHFFFAOYSA-N 2 0 372.395 3.042 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc(-c2csc(C)n2)cc1 ZINC000849057448 731224910 /nfs/dbraw/zinc/22/49/10/731224910.db2.gz KYWHWZGGWOVTEQ-KRWDZBQOSA-N 2 0 357.527 3.217 20 0 FGADRP CC[C@@H](CNC(=[NH2+])NCCc1cccs1)[N@@H+]1CCc2ccccc2C1 ZINC000849063147 731225393 /nfs/dbraw/zinc/22/53/93/731225393.db2.gz YYFIRPDVGKVHMK-SFHVURJKSA-N 2 0 356.539 3.241 20 0 FGADRP CCOC(=O)NC1CCC([NH2+]CC2CC[NH+](CCC(C)C)CC2)CC1 ZINC000850440111 731357680 /nfs/dbraw/zinc/35/76/80/731357680.db2.gz SORYCCGJOSDJDW-UHFFFAOYSA-N 2 0 353.551 3.391 20 0 FGADRP C[C@@H]([NH2+]C[C@]12OCCC[C@H]1C2(F)F)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000850535179 731370654 /nfs/dbraw/zinc/37/06/54/731370654.db2.gz VMQKPVASWVHYQT-LULLPPNCSA-N 2 0 350.453 3.301 20 0 FGADRP C(CCCC[NH+]1CCC2(COC2)C1)CCCC[N@@H+]1CCC2(COC2)C1 ZINC000852683628 731619659 /nfs/dbraw/zinc/61/96/59/731619659.db2.gz NDQCCJLHAHLVBP-UHFFFAOYSA-N 2 0 350.547 3.162 20 0 FGADRP CCc1ncc(C[NH+]2CC[C@@H](Oc3ccnc(C[N@@H+](C)CC)c3)C2)s1 ZINC000856554409 732038463 /nfs/dbraw/zinc/03/84/63/732038463.db2.gz RJADESAPMSNQAP-QGZVFWFLSA-N 2 0 360.527 3.206 20 0 FGADRP C[NH+](C)Cc1ccc(C[N@H+](C)C[C@H](O)COc2ccc(Cl)cc2)cc1 ZINC000859213302 732290878 /nfs/dbraw/zinc/29/08/78/732290878.db2.gz GGQKEVOGSKIOKD-IBGZPJMESA-N 2 0 362.901 3.273 20 0 FGADRP CC[N@@H+]1CCC[C@H](C[NH2+]C[C@H](CC(F)(F)F)NC(=O)OC(C)(C)C)C1 ZINC000865438039 733201269 /nfs/dbraw/zinc/20/12/69/733201269.db2.gz XWNVUKHBXGBUGK-KGLIPLIRSA-N 2 0 367.456 3.154 20 0 FGADRP OC1CC[NH+](Cc2ccc(C[NH2+]Cc3cnc(Cl)c(F)c3)cc2)CC1 ZINC000865452649 733204149 /nfs/dbraw/zinc/20/41/49/733204149.db2.gz MJQMEQNFZQLZFB-UHFFFAOYSA-N 2 0 363.864 3.121 20 0 FGADRP Cc1ccnc(C[NH2+]CCCC[NH+]2C[C@@H](C)O[C@H](C)C2)c1Br ZINC000865471853 733207891 /nfs/dbraw/zinc/20/78/91/733207891.db2.gz SMYSFXCPBPNGDX-HUUCEWRRSA-N 2 0 370.335 3.132 20 0 FGADRP COc1ncc(Br)cc1C[NH2+]C1CCC(C)([NH+](C)C)CC1 ZINC000865764750 733266156 /nfs/dbraw/zinc/26/61/56/733266156.db2.gz OGEAJFMEEWVLDV-UHFFFAOYSA-N 2 0 356.308 3.205 20 0 FGADRP C[C@@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)c1cc2c(ccnc2Cl)o1 ZINC000866226336 733326501 /nfs/dbraw/zinc/32/65/01/733326501.db2.gz IXEQWSSTVLYLHU-CYBMUJFWSA-N 2 0 350.894 3.158 20 0 FGADRP C[C@@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1cc2c(ccnc2Cl)o1 ZINC000866227755 733326995 /nfs/dbraw/zinc/32/69/95/733326995.db2.gz FTCCDKJPMJISSA-CYBMUJFWSA-N 2 0 350.894 3.158 20 0 FGADRP C[C@@H]([NH2+]CCCN1CCC[N@H+](C)CC1)c1cc2c(ccnc2Cl)o1 ZINC000866261159 733330363 /nfs/dbraw/zinc/33/03/63/733330363.db2.gz QGHBAKBBYYGCAE-CQSZACIVSA-N 2 0 350.894 3.159 20 0 FGADRP C[C@H]([NH2+]CCN1CCC([NH+](C)C)CC1)c1cc2c(ccnc2Cl)o1 ZINC000866279219 733332298 /nfs/dbraw/zinc/33/22/98/733332298.db2.gz MICNUMNDQOHUAQ-ZDUSSCGKSA-N 2 0 350.894 3.158 20 0 FGADRP C[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CC[C@H]([NH3+])CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000870911035 733901274 /nfs/dbraw/zinc/90/12/74/733901274.db2.gz PYUJYBWPUIILRG-OWCBBSPXSA-N 2 0 367.896 3.106 20 0 FGADRP CC[C@H](CCC(F)(F)F)[NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000872040882 735580657 /nfs/dbraw/zinc/58/06/57/735580657.db2.gz CVQIMVMNPACKEP-OAHLLOKOSA-N 2 0 365.484 3.324 20 0 FGADRP C[NH+](C)C1(C)CCC([NH2+]C[C@H](O)c2ccc(F)c(Br)c2)CC1 ZINC000872228197 735604988 /nfs/dbraw/zinc/60/49/88/735604988.db2.gz GCQMBMWBAWZZNP-PWZRNIHTSA-N 2 0 373.310 3.474 20 0 FGADRP CSc1ccc(OC[C@H](O)C[NH2+]C2CCC(C)([NH+](C)C)CC2)cc1 ZINC000872227448 735605002 /nfs/dbraw/zinc/60/50/02/735605002.db2.gz FADGCTDULLIAGH-KOHRHEQBSA-N 2 0 352.544 3.001 20 0 FGADRP CCN(CC)C(=O)CCC1CC[NH+](Cc2cc3c(s2)CC[NH2+]C3)CC1 ZINC000873208110 735737786 /nfs/dbraw/zinc/73/77/86/735737786.db2.gz AOKSAPHHSCQBJW-UHFFFAOYSA-N 2 0 363.571 3.254 20 0 FGADRP C[C@@H]([NH2+][C@@H](C)CC(=O)Nc1ccccc1C(F)(F)F)C1CC[NH2+]CC1 ZINC000873221652 735739531 /nfs/dbraw/zinc/73/95/31/735739531.db2.gz ZRGXVJUGVDPSCI-QWHCGFSZSA-N 2 0 357.420 3.400 20 0 FGADRP C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@H](C)C1CC[NH2+]CC1 ZINC000873221501 735739663 /nfs/dbraw/zinc/73/96/63/735739663.db2.gz UTPIPTJQYSRKRZ-CHWSQXEVSA-N 2 0 368.319 3.144 20 0 FGADRP C[C@@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+][C@@H](C)C1CC[NH2+]CC1 ZINC000873220412 735739712 /nfs/dbraw/zinc/73/97/12/735739712.db2.gz NYYUJDZXWFPITD-GJZGRUSLSA-N 2 0 351.922 3.055 20 0 FGADRP Clc1ccc2c(c1)OCCC[C@@H]2[NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873292544 735747163 /nfs/dbraw/zinc/74/71/63/735747163.db2.gz SXMHRDGLGLALFT-WBVHZDCISA-N 2 0 350.890 3.302 20 0 FGADRP CC(C)(C)O[C@@H]1C[C@H]([NH2+]C2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)C12CCC2 ZINC000877090640 736186569 /nfs/dbraw/zinc/18/65/69/736186569.db2.gz WTHYUNWWMVJWTI-CADBVGFASA-N 2 0 350.547 3.080 20 0 FGADRP [NH3+][C@@H](C[C@H]1CCCN(C(=O)c2cc3c(s2)CC[NH2+]C3)C1)C1CCCC1 ZINC000877443580 736219688 /nfs/dbraw/zinc/21/96/88/736219688.db2.gz DYPJJASRIJLBIU-PBHICJAKSA-N 2 0 361.555 3.154 20 0 FGADRP Cc1cc(C[NH+]2CCC(N3CC[NH+](C)CC3)CC2)ccc1C(F)(F)F ZINC000877746624 736713078 /nfs/dbraw/zinc/71/30/78/736713078.db2.gz UMQSFAOIJPZBMS-UHFFFAOYSA-N 2 0 355.448 3.226 20 0 FGADRP CC(C)(C)S(=O)(=O)CCC[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000878295853 736801896 /nfs/dbraw/zinc/80/18/96/736801896.db2.gz HREPBDXZMPBPOJ-UHFFFAOYSA-N 2 0 358.592 3.178 20 0 FGADRP C[C@H]([NH2+]C[C@@H](O)C(F)(F)C(F)(F)F)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000883361320 737558539 /nfs/dbraw/zinc/55/85/39/737558539.db2.gz ZQBXVYRYPBEVQE-AEGPPILISA-N 2 0 366.374 3.045 20 0 FGADRP Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)C(C)(C)[C@@H]([NH3+])C(C)C ZINC000884207569 737643094 /nfs/dbraw/zinc/64/30/94/737643094.db2.gz ZBMQQGXBAIKHHZ-SFHVURJKSA-N 2 0 363.571 3.492 20 0 FGADRP C[NH+](C)[C@@]1(CN[C@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)CCSC1 ZINC000886536502 739265118 /nfs/dbraw/zinc/26/51/18/739265118.db2.gz IYGUISALVYFKRI-XSDIEEQYSA-N 2 0 359.583 3.066 20 0 FGADRP Cc1csc(C[C@@H]2CCC[N@@H+](CCCN3CC[NH+](C(C)C)CC3)C2)n1 ZINC000886692144 739285434 /nfs/dbraw/zinc/28/54/34/739285434.db2.gz SQZKRWXCPFPJOT-IBGZPJMESA-N 2 0 364.603 3.122 20 0 FGADRP C[C@@H]1C[C@]2(CC[C@H](C[NH2+]C3CC[NH+]([C@H]4CCCC[C@H]4C)CC3)O2)CO1 ZINC000886762168 739293767 /nfs/dbraw/zinc/29/37/67/739293767.db2.gz SHNADOJJMIFGDR-YCXYWVQESA-N 2 0 350.547 3.346 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@]2(C)CCOC3(CCC3)C2)[C@H](C)C1 ZINC000886774878 739296954 /nfs/dbraw/zinc/29/69/54/739296954.db2.gz XHMYVLDSNRUOSX-HSALFYBXSA-N 2 0 352.563 3.452 20 0 FGADRP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]C2CCC([NH+](C)C)CC2)C[C@@H]1C(F)(F)F ZINC000894979744 742359946 /nfs/dbraw/zinc/35/99/46/742359946.db2.gz ZPPLTYZDRMBOCE-IHTQCXBNSA-N 2 0 364.452 3.359 20 0 FGADRP C[NH+]1CCC(C[NH2+]C[C@H]2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)CC1 ZINC000895838672 742461400 /nfs/dbraw/zinc/46/14/00/742461400.db2.gz YQDIFEKWZNKINQ-BCDXTJNWSA-N 2 0 351.535 3.096 20 0 FGADRP COc1ccc2c(c1Cl)[C@@H]([NH2+][C@H](C)CCN1CC[NH+](C)CC1)CCC2 ZINC000903151438 743813139 /nfs/dbraw/zinc/81/31/39/743813139.db2.gz DXNYFJFWJMDBIP-WBVHZDCISA-N 2 0 365.949 3.342 20 0 FGADRP C[NH+](C)CC[C@@H](NC1CC[NH+](CCC(F)(F)F)CC1)c1cccnc1 ZINC000903380140 743843002 /nfs/dbraw/zinc/84/30/02/743843002.db2.gz KRAIUHJNNLIDAC-QGZVFWFLSA-N 2 0 358.452 3.081 20 0 FGADRP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](CCCCOc1ccc(Br)cc1)C2 ZINC000903840963 743887586 /nfs/dbraw/zinc/88/75/86/743887586.db2.gz VGQULRPRQCLXQX-BPUTZDHNSA-N 2 0 353.304 3.420 20 0 FGADRP Cc1c(C[C@H](C[NH3+])C[N@H+]2CCS[C@@H](C)[C@H]2c2ccccc2)cnn1C ZINC000903894583 743893510 /nfs/dbraw/zinc/89/35/10/743893510.db2.gz ACTNNKBQHXJWPU-QKLQHJQFSA-N 2 0 358.555 3.025 20 0 FGADRP Cc1nc(C(C)C)sc1[C@H](C)[N@H+](C)C[C@@H](C[NH3+])Cc1cnn(C)c1C ZINC000903897754 743893846 /nfs/dbraw/zinc/89/38/46/743893846.db2.gz JKOOSYAKHUZIDN-JKSUJKDBSA-N 2 0 363.575 3.427 20 0 FGADRP [NH3+][C@H](CC(F)F)CN1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000903906806 743895199 /nfs/dbraw/zinc/89/51/99/743895199.db2.gz ZDKNARCAXOMYOC-OAHLLOKOSA-N 2 0 365.390 3.196 20 0 FGADRP FC(F)(F)c1cnc(OCC[NH2+]CC2C[C@H]3CC[C@@H](C2)[NH2+]3)c(Cl)c1 ZINC000903924926 743898503 /nfs/dbraw/zinc/89/85/03/743898503.db2.gz KMZAQQACBYABCX-VGPLMAKISA-N 2 0 363.811 3.253 20 0 FGADRP c1sc(CC[NH2+]Cc2cccc3c2CC[NH2+]C3)nc1-c1ccccn1 ZINC000903928125 743899653 /nfs/dbraw/zinc/89/96/53/743899653.db2.gz VQWJHYAZHGHWOZ-UHFFFAOYSA-N 2 0 350.491 3.183 20 0 FGADRP CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1cnc(C3CCCC3)s1)C2 ZINC000922388223 758910421 /nfs/dbraw/zinc/91/04/21/758910421.db2.gz NOGKSPHJYYJBDP-XSYGEPLQSA-N 2 0 363.571 3.370 20 0 FGADRP CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]Cc3ccc(F)c(F)c3F)C2)[C@@H]1C(C)C ZINC000922391873 758912457 /nfs/dbraw/zinc/91/24/57/758912457.db2.gz BOMASFBTLDUQTG-VVWQDTPRSA-N 2 0 356.432 3.063 20 0 FGADRP CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3cnc(C4CCC4)s3)C2)[C@H]1C(C)C ZINC000922392061 758912891 /nfs/dbraw/zinc/91/28/91/758912891.db2.gz AZFZXNTVAQEXHY-MLYOOKFZSA-N 2 0 363.571 3.370 20 0 FGADRP CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]Cc3cnc(C4CCC4)s3)C2)[C@@H]1C(C)C ZINC000922392059 758912911 /nfs/dbraw/zinc/91/29/11/758912911.db2.gz AZFZXNTVAQEXHY-FTEYMNFISA-N 2 0 363.571 3.370 20 0 FGADRP CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]Cc3cnc(C(C)C)s3)C2)[C@@H]1C(C)C ZINC000922394728 758913787 /nfs/dbraw/zinc/91/37/87/758913787.db2.gz SERXVTCKJTVSEF-VXIBKDFQSA-N 2 0 351.560 3.226 20 0 FGADRP CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3cc(F)c(F)c(F)c3)C2)[C@@H]1C(C)C ZINC000922395337 758913799 /nfs/dbraw/zinc/91/37/99/758913799.db2.gz VMRVIQOTTLAANZ-FPAYPSAMSA-N 2 0 356.432 3.063 20 0 FGADRP Cc1nn(C)c(C[NH2+]C2CCC(C)([NH+]3CCCC3)CC2)c1Br ZINC000922503740 758938951 /nfs/dbraw/zinc/93/89/51/758938951.db2.gz JRJNCVRGFMVYKD-UHFFFAOYSA-N 2 0 369.351 3.378 20 0 FGADRP Cc1nn(CC(C)C)c(Cl)c1[C@H]1CCC[N@@H+]1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923317249 759099493 /nfs/dbraw/zinc/09/94/93/759099493.db2.gz CSQFVZBLTMVZMP-JKSUJKDBSA-N 2 0 366.937 3.016 20 0 FGADRP [NH3+][C@@H]1CCO[C@H](C2CC[NH+](C[C@@H](O)c3ccc(Cl)cc3Cl)CC2)C1 ZINC000923378357 759107870 /nfs/dbraw/zinc/10/78/70/759107870.db2.gz HMSUAGFOCKLEAH-OLMNPRSZSA-N 2 0 373.324 3.245 20 0 FGADRP C[C@@H](c1ccccc1Br)[NH+]1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000923449340 759120759 /nfs/dbraw/zinc/12/07/59/759120759.db2.gz MKZRGLOWMAXPAX-UONOGXRCSA-N 2 0 353.304 3.340 20 0 FGADRP C[C@@H](c1cccc(Br)c1)[NH+]1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000923452393 759120981 /nfs/dbraw/zinc/12/09/81/759120981.db2.gz QLGXTXYTFMDBRL-XJKSGUPXSA-N 2 0 353.304 3.340 20 0 FGADRP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+]C2CCN(Cc3ccc(F)c(F)c3)CC2)C1 ZINC000925475512 759494600 /nfs/dbraw/zinc/49/46/00/759494600.db2.gz UUKFPVKRCXWHIM-RDJZCZTQSA-N 2 0 351.485 3.425 20 0 FGADRP C[N@@H+]1CC[C@H](CN[C@@H]2CC[NH2+]C23CCC3)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000925628677 759515094 /nfs/dbraw/zinc/51/50/94/759515094.db2.gz GUDOMRKDMVYNSB-OLMNPRSZSA-N 2 0 351.897 3.346 20 0 FGADRP [NH3+][C@@H]1C[C@H]2COC[C@@H](C1)[C@H]2[NH2+]Cc1cc2cc(Br)ccc2o1 ZINC000925760505 759533231 /nfs/dbraw/zinc/53/32/31/759533231.db2.gz XCPJYWQJPNIHMA-VWIIKAMWSA-N 2 0 365.271 3.037 20 0 FGADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@H]2C[NH2+]CCC2(F)F)c2ccccc21 ZINC000925777859 759536594 /nfs/dbraw/zinc/53/65/94/759536594.db2.gz QZKJAGRXZZHMEA-XYPHTWIQSA-N 2 0 352.425 3.003 20 0 FGADRP COc1cc([C@H](C)[NH2+]CCCCCN2CC[NH2+]CC2)ccc1SC ZINC000925844421 759556416 /nfs/dbraw/zinc/55/64/16/759556416.db2.gz KNXVSMPSXLYUDO-INIZCTEOSA-N 2 0 351.560 3.143 20 0 FGADRP C[C@H](Cc1c(Cl)cccc1Cl)[NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925855304 759560541 /nfs/dbraw/zinc/56/05/41/759560541.db2.gz UEZLTFJUQRIZTM-OLZOCXBDSA-N 2 0 371.308 3.199 20 0 FGADRP [NH3+][C@@H]1CC[C@H](C[NH2+][C@@H](c2ccc(Br)cc2)[C@@H]2CCCO2)C1 ZINC000925881996 759565662 /nfs/dbraw/zinc/56/56/62/759565662.db2.gz IFFXEABJZPMNCA-IEAZIUSSSA-N 2 0 353.304 3.386 20 0 FGADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]C2CC3(C2)CCN(C(=O)OC(C)(C)C)CC3)C1 ZINC000926665397 759799000 /nfs/dbraw/zinc/79/90/00/759799000.db2.gz DYZHKQNYHQHQOT-WOVMCDHWSA-N 2 0 351.535 3.096 20 0 FGADRP O[C@H]1CC[N@H+](Cc2ccc(C[NH2+][C@@H]3CCc4c3nccc4Cl)cc2)C1 ZINC000926688622 759803143 /nfs/dbraw/zinc/80/31/43/759803143.db2.gz GCSMPQZPONHGPR-QFBILLFUSA-N 2 0 357.885 3.079 20 0 FGADRP CC(C)(C)OC(=O)NCC1CC([NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)C1 ZINC000926739399 759813277 /nfs/dbraw/zinc/81/32/77/759813277.db2.gz RFTHRRGIALDRNQ-AOCRQIFASA-N 2 0 351.535 3.001 20 0 FGADRP CC(C)CC[NH+]1CCC([NH2+]CC[C@H]2CCC3(CCOCC3)CO2)CC1 ZINC000926871074 759834818 /nfs/dbraw/zinc/83/48/18/759834818.db2.gz NAIYKCLRRXAWOS-HXUWFJFHSA-N 2 0 352.563 3.452 20 0 FGADRP C[C@@H]([NH2+]CC1CCC(S(C)(=O)=O)CC1)c1cccc(C[NH+](C)C)c1 ZINC000926878929 759835719 /nfs/dbraw/zinc/83/57/19/759835719.db2.gz NKJZIADPTHHJKP-MDCZIUGASA-N 2 0 352.544 3.002 20 0 FGADRP C[N@@H+]1CCCC12CC[NH+](C[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C1)CC2 ZINC000930170973 760544182 /nfs/dbraw/zinc/54/41/82/760544182.db2.gz JCVZNMDQTXMIIN-SJORKVTESA-N 2 0 351.535 3.240 20 0 FGADRP Cc1cccc(Cl)c1C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000999189046 765144402 /nfs/dbraw/zinc/14/44/02/765144402.db2.gz GSTRTGQDXWHCQB-IXDOHACOSA-N 2 0 363.933 3.069 20 0 FGADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H]([NH2+][C@@H](C)c3ccccc3Cl)C2)CC[N@@H+]1C ZINC001020174527 765867001 /nfs/dbraw/zinc/86/70/01/765867001.db2.gz DTWWDKBMTHIKEX-NDVSXACPSA-N 2 0 363.933 3.368 20 0 FGADRP Cc1ccc(C[NH+]2CCC[C@@H]2CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c(Cl)c1 ZINC001027893775 766104385 /nfs/dbraw/zinc/10/43/85/766104385.db2.gz GADKHSFDWGYXGS-KBAYOESNSA-N 2 0 363.933 3.069 20 0 FGADRP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCC[NH+]2Cc2cccc(Cl)c2)CC[N@@H+]1C ZINC001027892621 766104628 /nfs/dbraw/zinc/10/46/28/766104628.db2.gz AQFGOFGLLMHAIF-GBESFXJTSA-N 2 0 363.933 3.151 20 0 FGADRP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CC[NH+](Cc3ccc(Cl)cc3)C2)CC[N@@H+]1C ZINC001028552027 766125028 /nfs/dbraw/zinc/12/50/28/766125028.db2.gz DRSIETRGODVZMX-NZSAHSFTSA-N 2 0 363.933 3.008 20 0 FGADRP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCC[NH+](Cc3csc(C)c3)CC2)CC[N@@H+]1C ZINC001052394218 766900179 /nfs/dbraw/zinc/90/01/79/766900179.db2.gz BINAZFJGGZQGJA-CEXWTWQISA-N 2 0 363.571 3.258 20 0 FGADRP C[C@@H]1CCC[N@H+](CCCC[NH2+][C@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000779013853 724380916 /nfs/dbraw/zinc/38/09/16/724380916.db2.gz JDLYOUQQVVFEMA-MSOLQXFVSA-N 2 0 353.551 3.488 20 0 FGADRP CCc1ccc([C@H](C)NC(=O)[C@@H](C)[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)cc1 ZINC000573609097 505577234 /nfs/dbraw/zinc/57/72/34/505577234.db2.gz SUUKTLNJTRQMFY-FVJLSDCUSA-N 2 0 357.542 3.136 20 0 FGADRP CC[NH+]1CCC(CNC(=O)N2CCC[N@H+](CC3CCCCC3)CC2)CC1 ZINC000579618161 505588057 /nfs/dbraw/zinc/58/80/57/505588057.db2.gz AIAPFLSQFQNTCD-UHFFFAOYSA-N 2 0 364.578 3.016 20 0 FGADRP CC(C)OC[C@@H](C)[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000570870886 505599823 /nfs/dbraw/zinc/59/98/23/505599823.db2.gz PXLXDPQQLRUHDD-CTNGQTDRSA-N 2 0 360.542 3.318 20 0 FGADRP [NH3+]C1CCC([NH2+][C@H](CN2CCCC2=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000573815796 505627529 /nfs/dbraw/zinc/62/75/29/505627529.db2.gz ITJDSTCRIUUJMC-OFLPRAFFSA-N 2 0 369.431 3.228 20 0 FGADRP Cc1ncc2c(n1)CC[C@@H]([NH2+][C@@H]1CCN(Cc3ccccc3)C3(CC3)C1)C2 ZINC000579836313 505629643 /nfs/dbraw/zinc/62/96/43/505629643.db2.gz GCNYOUIIYGKHGW-NHCUHLMSSA-N 2 0 362.521 3.429 20 0 FGADRP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CC[C@H](C(=O)N2CCCC2)C1 ZINC000571007026 505631156 /nfs/dbraw/zinc/63/11/56/505631156.db2.gz UQBGKMVKMGWUPT-FQEVSTJZSA-N 2 0 357.542 3.089 20 0 FGADRP COc1ccc(C[NH+]2CCC(C[NH2+]CC3(O)CCC(C)CC3)CC2)cc1 ZINC000573914232 505649772 /nfs/dbraw/zinc/64/97/72/505649772.db2.gz WATKEUVVVCXJOO-UHFFFAOYSA-N 2 0 360.542 3.438 20 0 FGADRP CC(C)[C@@H](C(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1)[C@@H](C)[NH3+] ZINC000579948812 505651079 /nfs/dbraw/zinc/65/10/79/505651079.db2.gz ZYAOQBZMGCNRTG-DNVCBOLYSA-N 2 0 365.949 3.288 20 0 FGADRP C[C@H]1C[C@H](CC[NH2+]CCC(=O)Nc2cccnc2)C[N@@H+]1Cc1ccccc1 ZINC000571158779 505668229 /nfs/dbraw/zinc/66/82/29/505668229.db2.gz WQIIBSJJSBKQKI-ICSRJNTNSA-N 2 0 366.509 3.301 20 0 FGADRP CN1CC[NH+](CCCC[NH2+][C@H]2CCc3sc(Br)cc32)CC1 ZINC000577129116 505669625 /nfs/dbraw/zinc/66/96/25/505669625.db2.gz VKMUNDJNGGAMQC-AWEZNQCLSA-N 2 0 372.376 3.115 20 0 FGADRP Cc1nc2ccccc2n1C[C@@H]1CCCN1C(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000568373120 505678551 /nfs/dbraw/zinc/67/85/51/505678551.db2.gz RGTQCIVVSIKZCE-OKZBNKHCSA-N 2 0 369.513 3.036 20 0 FGADRP CC[NH+]1CCN(c2ccccc2NC(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC000068249475 493784247 /nfs/dbraw/zinc/78/42/47/493784247.db2.gz SKIDKKBYVBRCTA-UHFFFAOYSA-N 2 0 366.509 3.142 20 0 FGADRP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC000068261031 493786995 /nfs/dbraw/zinc/78/69/95/493786995.db2.gz VWUCIGDHZDTJKO-UHFFFAOYSA-N 2 0 366.509 3.061 20 0 FGADRP CC[NH+](CC)C[C@H]1CC[N@H+](CCC(=O)N[C@@H]2CCCc3ccccc32)C1 ZINC000076003975 493807983 /nfs/dbraw/zinc/80/79/83/493807983.db2.gz COAKPZYJQALCCQ-WIYYLYMNSA-N 2 0 357.542 3.234 20 0 FGADRP O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000068556692 493840698 /nfs/dbraw/zinc/84/06/98/493840698.db2.gz GVUBJOFJVAPLSG-OALUTQOASA-N 2 0 374.529 3.076 20 0 FGADRP COc1ccc(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)cc1OCc1cccnc1 ZINC000030906888 493912388 /nfs/dbraw/zinc/91/23/88/493912388.db2.gz AJUSGOSKDDMGRK-SFHVURJKSA-N 2 0 367.493 3.243 20 0 FGADRP C[NH+](C)[C@H](CNC(=O)N1CCC[C@@H]1C[NH+]1CCCCC1)c1cccs1 ZINC000069718903 494001185 /nfs/dbraw/zinc/00/11/85/494001185.db2.gz RNSCFLLNYYEBSL-IAGOWNOFSA-N 2 0 364.559 3.011 20 0 FGADRP C[NH+](C)[C@@H](CNC(=O)N1CCC[C@H]1C[NH+]1CCCCC1)c1cccs1 ZINC000069718906 494001382 /nfs/dbraw/zinc/00/13/82/494001382.db2.gz RNSCFLLNYYEBSL-IRXDYDNUSA-N 2 0 364.559 3.011 20 0 FGADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N1CCC[NH+](C(C)C)CC1 ZINC000069765570 494008541 /nfs/dbraw/zinc/00/85/41/494008541.db2.gz LUQCDRPWBURZMX-UHFFFAOYSA-N 2 0 360.546 3.153 20 0 FGADRP C[NH+]1CCC(O)(C[NH2+]Cc2ccc(Oc3cc(F)cc(F)c3)cc2)CC1 ZINC000077450004 494085678 /nfs/dbraw/zinc/08/56/78/494085678.db2.gz CORJEKHKCAOWRS-UHFFFAOYSA-N 2 0 362.420 3.303 20 0 FGADRP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@H+](C)CC3CCCC3)CC2)cc1 ZINC000064021575 494102786 /nfs/dbraw/zinc/10/27/86/494102786.db2.gz DGCOUQIHAWQCGI-UHFFFAOYSA-N 2 0 357.542 3.151 20 0 FGADRP CC(C)c1[nH+]c(CN(CC[NH+](C)C)Cc2ccccn2)c2ccccn21 ZINC000577285163 505700205 /nfs/dbraw/zinc/70/02/05/505700205.db2.gz KNZZCDLVTLEDQU-UHFFFAOYSA-N 2 0 351.498 3.417 20 0 FGADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N(C)[C@H]1CC[NH+](C)C[C@H]1C ZINC000085389950 494119272 /nfs/dbraw/zinc/11/92/72/494119272.db2.gz IOCZNUSWXBBTRK-XLIONFOSSA-N 2 0 360.546 3.008 20 0 FGADRP CC(C)Oc1ccc(C[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cn1 ZINC000571312780 505704154 /nfs/dbraw/zinc/70/41/54/505704154.db2.gz BNVWKERGZKODKI-RXVVDRJESA-N 2 0 353.466 3.214 20 0 FGADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)N[C@H](c1ccc(F)cc1)C(C)(C)C ZINC000077779856 494176122 /nfs/dbraw/zinc/17/61/22/494176122.db2.gz BNGCQQLZNISJEM-GOSISDBHSA-N 2 0 366.525 3.048 20 0 FGADRP Clc1cc2cccnc2c(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)c1 ZINC000054338538 494221601 /nfs/dbraw/zinc/22/16/01/494221601.db2.gz UGQZAOFIJYOCBA-UHFFFAOYSA-N 2 0 359.901 3.432 20 0 FGADRP C[C@@H]([NH2+]CC1CCN(c2cc[nH+]cc2)CC1)c1ccc2c(c1)OCCO2 ZINC000089215213 494273755 /nfs/dbraw/zinc/27/37/55/494273755.db2.gz QZKHTAKJIHRPLE-MRXNPFEDSA-N 2 0 353.466 3.420 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)[C@@H](c1ccccc1)[N@@H+](C)CC)c1ccco1 ZINC000078402376 494292556 /nfs/dbraw/zinc/29/25/56/494292556.db2.gz IORUFROOSNGEQZ-AZUAARDMSA-N 2 0 357.498 3.472 20 0 FGADRP Cc1c[nH+]ccc1N1CCC(C(=O)N2CC[NH+](CCC(C)(C)C)CC2)CC1 ZINC000073017123 494306522 /nfs/dbraw/zinc/30/65/22/494306522.db2.gz VRDBERRLSRXHTB-UHFFFAOYSA-N 2 0 372.557 3.187 20 0 FGADRP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+]([C@@H]3CCN(c4ccc(Cl)c(Cl)c4)C3=O)C[C@H]21 ZINC000568512106 505712836 /nfs/dbraw/zinc/71/28/36/505712836.db2.gz FXPGKAWOLMONGM-MCPWVCTESA-N 2 0 368.308 3.158 20 0 FGADRP C[C@H]([NH2+][C@@H]1CCCC[C@@H]1C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000078625623 494333064 /nfs/dbraw/zinc/33/30/64/494333064.db2.gz IZZBOAMMAOSGLI-BBTUJRGHSA-N 2 0 357.542 3.324 20 0 FGADRP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)C1CCN(c2cc[nH+]cc2C)CC1 ZINC000073225154 494342218 /nfs/dbraw/zinc/34/22/18/494342218.db2.gz GKWGJANDUKSMHR-FQEVSTJZSA-N 2 0 372.557 3.377 20 0 FGADRP C[NH+](C)Cc1cccc(NC(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)c1 ZINC000044292072 494347411 /nfs/dbraw/zinc/34/74/11/494347411.db2.gz MXTCLQAJACYEMJ-FQEVSTJZSA-N 2 0 354.498 3.043 20 0 FGADRP C[NH+](C)CCN(Cc1ccccc1)C(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000079121646 494406304 /nfs/dbraw/zinc/40/63/04/494406304.db2.gz GHJVGNSAELDYBB-NRFANRHFSA-N 2 0 368.525 3.063 20 0 FGADRP CC[C@@H](NC(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@@H+]1CC)c1cccs1 ZINC000073795134 494430272 /nfs/dbraw/zinc/43/02/72/494430272.db2.gz IPAVSIAYXVNTDI-IAGOWNOFSA-N 2 0 366.575 3.257 20 0 FGADRP Cc1c[nH+]ccc1N1CCC(C(=O)N2CCC[N@@H+](C3CCCC3)CC2)CC1 ZINC000073880862 494441872 /nfs/dbraw/zinc/44/18/72/494441872.db2.gz MKUMVMDTTUWAEP-UHFFFAOYSA-N 2 0 370.541 3.083 20 0 FGADRP Cc1ccc([C@H](CNC(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)[NH+](C)C)cc1 ZINC000073897536 494444429 /nfs/dbraw/zinc/44/44/29/494444429.db2.gz UXZQGMSPXOLYNP-UXHICEINSA-N 2 0 360.546 3.114 20 0 FGADRP CCCC[N@H+](C)CC1CC[NH+]([C@H](C)C(=O)NCCc2cccs2)CC1 ZINC000066960908 494446090 /nfs/dbraw/zinc/44/60/90/494446090.db2.gz RPLGFFCOGYWYOO-QGZVFWFLSA-N 2 0 365.587 3.239 20 0 FGADRP COc1ccc(-c2ccccc2C)cc1C[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000574204536 505719681 /nfs/dbraw/zinc/71/96/81/505719681.db2.gz KKUADEBPAQENLD-OAQYLSRUSA-N 2 0 365.521 3.150 20 0 FGADRP C[C@@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1ccc2c(c1)OCCCO2 ZINC000090523147 494477839 /nfs/dbraw/zinc/47/78/39/494477839.db2.gz PYJVVCBKOYFVOK-UXPWSPDFSA-N 2 0 374.525 3.266 20 0 FGADRP COc1c(C)cnc(C[NH+]2CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)c1C ZINC000067227518 494497767 /nfs/dbraw/zinc/49/77/67/494497767.db2.gz FFHBZONLNVMXHU-IAGOWNOFSA-N 2 0 361.530 3.028 20 0 FGADRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCCOc1ncc(C(F)(F)F)cc1Cl ZINC000090884108 494501431 /nfs/dbraw/zinc/50/14/31/494501431.db2.gz AAGDFOBACLLMBS-FZMZJTMJSA-N 2 0 365.827 3.453 20 0 FGADRP C[C@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)c1cc(F)c(F)c(F)c1 ZINC000090937336 494504194 /nfs/dbraw/zinc/50/41/94/494504194.db2.gz JJQYHKQCAUOUQW-LBPRGKRZSA-N 2 0 353.388 3.290 20 0 FGADRP C[NH+](C)Cc1c2ccccc2oc1C(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000074323717 494519573 /nfs/dbraw/zinc/51/95/73/494519573.db2.gz CVWXJHSWYAGEFV-QGZVFWFLSA-N 2 0 369.509 3.298 20 0 FGADRP CN(C(=O)c1ccc(C[NH+](C)C)cc1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000074447605 494539583 /nfs/dbraw/zinc/53/95/83/494539583.db2.gz KSTZNSXOJXYQQR-QFIPXVFZSA-N 2 0 365.521 3.485 20 0 FGADRP CC(C)[N@H+](C)CC1CCN(C(=O)N[C@H]2CC[NH+](Cc3ccccc3)C2)CC1 ZINC000056796643 494564693 /nfs/dbraw/zinc/56/46/93/494564693.db2.gz ZCHWODXXOOPLAA-NRFANRHFSA-N 2 0 372.557 3.023 20 0 FGADRP C[NH+]1CCN(CCC[NH2+][C@@H](c2cccc(C(F)(F)F)c2)C2CC2)CC1 ZINC000091266678 494576468 /nfs/dbraw/zinc/57/64/68/494576468.db2.gz PFNZBLPVPHYUOB-GOSISDBHSA-N 2 0 355.448 3.384 20 0 FGADRP CC[NH+]1CCN(c2ccc(C[NH2+][C@H](c3ccccc3)C3CC3)cn2)CC1 ZINC000091286994 494577939 /nfs/dbraw/zinc/57/79/39/494577939.db2.gz RYGJNTPGLKXISE-JOCHJYFZSA-N 2 0 350.510 3.464 20 0 FGADRP C[C@H]([NH2+]Cc1ccc(OCC[NH+](C)C)cc1)c1nc2ccccc2n1C ZINC000091287591 494578590 /nfs/dbraw/zinc/57/85/90/494578590.db2.gz JUPPAQHHEKGGFS-INIZCTEOSA-N 2 0 352.482 3.365 20 0 FGADRP CCOc1ccc([C@@H](C)[NH2+]C[C@@H](C)CN2CC[NH+](C)CC2)cc1OCC ZINC000121071740 494579913 /nfs/dbraw/zinc/57/99/13/494579913.db2.gz QAOZIZXGPCZPMT-QZTJIDSGSA-N 2 0 363.546 3.018 20 0 FGADRP OC[C@H]1CCC[N@@H+]1CCCC[NH2+][C@@H]1CCc2c1cccc2Br ZINC000091336557 494585343 /nfs/dbraw/zinc/58/53/43/494585343.db2.gz COVUWXMTGMWURE-RDTXWAMCSA-N 2 0 367.331 3.263 20 0 FGADRP C[C@H](C[NH2+][C@H]1CCc2c1ccc(Cl)c2Cl)CN1CC[NH+](C)CC1 ZINC000121084064 494586692 /nfs/dbraw/zinc/58/66/92/494586692.db2.gz FVHNMYDESPOZNX-DYVFJYSZSA-N 2 0 356.341 3.454 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)N(C)C[C@H]1CCC[N@H+](C)C1)c1ccccc1 ZINC000115785783 494622312 /nfs/dbraw/zinc/62/23/12/494622312.db2.gz QKZQWNJTUUNPFB-ICSRJNTNSA-N 2 0 360.546 3.053 20 0 FGADRP CC(C)[NH+](CCCNC(=O)NC[C@@H](c1ccsc1)[NH+](C)C)C(C)C ZINC000074851137 494623149 /nfs/dbraw/zinc/62/31/49/494623149.db2.gz NSMCXZMVJXZORJ-KRWDZBQOSA-N 2 0 354.564 3.159 20 0 FGADRP CC1CC[NH+](CCCNC(=O)NCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000107941345 494625199 /nfs/dbraw/zinc/62/51/99/494625199.db2.gz LTEYGIVPZMPLIO-BGYRXZFFSA-N 2 0 366.594 3.166 20 0 FGADRP C[C@@H]1C[N@@H+](CC2CC[NH+](Cc3ccc(N4CCCC4)nc3)CC2)C[C@H](C)O1 ZINC000092587222 494677586 /nfs/dbraw/zinc/67/75/86/494677586.db2.gz ZISMNQDGIRZAOR-KDURUIRLSA-N 2 0 372.557 3.003 20 0 FGADRP COc1cccc(C[NH+]2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c1OC ZINC000092587323 494677734 /nfs/dbraw/zinc/67/77/34/494677734.db2.gz QBDCLMHJLXZJQI-CALCHBBNSA-N 2 0 362.514 3.025 20 0 FGADRP C[C@@H]1C[NH+](CC2CC[NH+](Cc3c[nH]nc3-c3ccccc3)CC2)C[C@@H](C)O1 ZINC000092587143 494678577 /nfs/dbraw/zinc/67/85/77/494678577.db2.gz OKJINIIFUGQVJT-QZTJIDSGSA-N 2 0 368.525 3.398 20 0 FGADRP C[NH+](C)CCNC(=O)C1CC[NH+](Cc2cc(-c3ccccc3)cs2)CC1 ZINC000092615838 494687358 /nfs/dbraw/zinc/68/73/58/494687358.db2.gz DRQQFYZPTBRSEY-UHFFFAOYSA-N 2 0 371.550 3.305 20 0 FGADRP Cc1ccc(-c2ccc(C[NH+]3CCC(C(=O)NCC[NH+](C)C)CC3)o2)cc1 ZINC000092615823 494687549 /nfs/dbraw/zinc/68/75/49/494687549.db2.gz UNPIQHHXQVGXDB-UHFFFAOYSA-N 2 0 369.509 3.145 20 0 FGADRP C[NH+]1CCC(Nc2ccccc2NC(=O)[C@@H]2C[C@H]3CCCC[N@@H+]3C2)CC1 ZINC000080616928 494748928 /nfs/dbraw/zinc/74/89/28/494748928.db2.gz PELLDUHGPMFAFK-SJLPKXTDSA-N 2 0 356.514 3.006 20 0 FGADRP C[C@@H]1CCCN1C(=O)CC[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821042 494763230 /nfs/dbraw/zinc/76/32/30/494763230.db2.gz NBLOTFBOFZMVNK-GOSISDBHSA-N 2 0 358.530 3.021 20 0 FGADRP CCC[NH+]1CCC(NC(=O)NC2CC[NH+]([C@H](C)c3ccccc3)CC2)CC1 ZINC000116434596 494784818 /nfs/dbraw/zinc/78/48/18/494784818.db2.gz FFSIGEFYWBWTOP-GOSISDBHSA-N 2 0 372.557 3.386 20 0 FGADRP CCC[N@@H+]1CC[C@H](CNC(=O)NC2CC[NH+]([C@@H](C)c3ccccc3)CC2)C1 ZINC000116491003 494799342 /nfs/dbraw/zinc/79/93/42/494799342.db2.gz JBAFSRAPWCVEBA-RBUKOAKNSA-N 2 0 372.557 3.243 20 0 FGADRP C[C@H](C[NH+]1CCCCC1)NC(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000116529780 494808668 /nfs/dbraw/zinc/80/86/68/494808668.db2.gz UZAOJUMYKSARKB-RTBURBONSA-N 2 0 372.557 3.386 20 0 FGADRP CC[N@H+](C)Cc1cccc(CNC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)c1 ZINC000116539888 494811081 /nfs/dbraw/zinc/81/10/81/494811081.db2.gz WVXVCALBWWFAID-IBGZPJMESA-N 2 0 362.562 3.304 20 0 FGADRP C[NH+](C)[C@H](CNC(=O)c1cccc(C[NH+]2CCCC2)c1)c1ccc(F)cc1 ZINC000108966064 494812547 /nfs/dbraw/zinc/81/25/47/494812547.db2.gz CCHOEAGMFFURLC-OAQYLSRUSA-N 2 0 369.484 3.454 20 0 FGADRP CC(=O)c1ccc(NC(=O)CN2CCC(CCC[NH+]3CCCC3)CC2)cc1 ZINC000121603515 494817581 /nfs/dbraw/zinc/81/75/81/494817581.db2.gz IAOXUQAZCIBMSQ-UHFFFAOYSA-N 2 0 371.525 3.416 20 0 FGADRP C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+]CC(C)(C)C[NH+](C)C ZINC000132104983 494820755 /nfs/dbraw/zinc/82/07/55/494820755.db2.gz IRRQUKMEFWBHBK-ZDUSSCGKSA-N 2 0 370.335 3.344 20 0 FGADRP CC(C)n1cc([C@@H](C)[NH2+]Cc2ccc(CN3CC[NH+](C)CC3)cc2)cn1 ZINC000126741588 494829703 /nfs/dbraw/zinc/82/97/03/494829703.db2.gz RTBPVIOPYCKDCG-GOSISDBHSA-N 2 0 355.530 3.062 20 0 FGADRP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccccc3OC3CCCC3)C2)CC1 ZINC000093132714 494831052 /nfs/dbraw/zinc/83/10/52/494831052.db2.gz NIKAXHSLXKLZAU-HXUWFJFHSA-N 2 0 357.542 3.220 20 0 FGADRP C[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1)c1cccc(CO)c1 ZINC000121699467 494841114 /nfs/dbraw/zinc/84/11/14/494841114.db2.gz SACSNVLXUDUYSK-SJORKVTESA-N 2 0 371.500 3.482 20 0 FGADRP CN(c1ccccc1CN1CC[NH+](C2CCCC2)CC1)C1CC[NH+](C)CC1 ZINC000126973580 494871738 /nfs/dbraw/zinc/87/17/38/494871738.db2.gz BLYJYGHTXDFYNV-UHFFFAOYSA-N 2 0 370.585 3.277 20 0 FGADRP COc1ccc(Cl)cc1[C@H](C)[NH2+]C[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC000132542177 494890866 /nfs/dbraw/zinc/89/08/66/494890866.db2.gz JXKNUHIRBRJMEI-YJBOKZPZSA-N 2 0 353.938 3.271 20 0 FGADRP CC[NH+](CC)Cc1cccc(CNC(=O)NC[C@H](C)C[NH+]2CCCC2)c1 ZINC000122021940 494911176 /nfs/dbraw/zinc/91/11/76/494911176.db2.gz FAYJOYWMVJIFHJ-SFHVURJKSA-N 2 0 360.546 3.060 20 0 FGADRP CCC[N@H+](C)C[C@@H]1CCN(Cc2ccccc2N(C)C2CC[NH+](C)CC2)C1 ZINC000093742259 494915904 /nfs/dbraw/zinc/91/59/04/494915904.db2.gz NELPZGRGFUFKAW-FQEVSTJZSA-N 2 0 372.601 3.381 20 0 FGADRP CCC[NH+]1CCC([N@H+](C)C[C@H](O)COc2cccc(C(F)(F)F)c2)CC1 ZINC000109786182 494917924 /nfs/dbraw/zinc/91/79/24/494917924.db2.gz YHGNZMYMQMEOIV-KRWDZBQOSA-N 2 0 374.447 3.251 20 0 FGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+][C@@H](C)C2CCOCC2)CC1 ZINC000127298053 494923784 /nfs/dbraw/zinc/92/37/84/494923784.db2.gz UQRIQBUNJFJPCR-DLBZAZTESA-N 2 0 363.521 3.433 20 0 FGADRP Cc1ccc2ncc(C[NH+]3CCC(CC[NH+]4C[C@@H](C)O[C@H](C)C4)CC3)n2c1 ZINC000093844488 494926856 /nfs/dbraw/zinc/92/68/56/494926856.db2.gz PSOOSKSPLOTLSN-RTBURBONSA-N 2 0 370.541 3.354 20 0 FGADRP CCn1nc(C)c(C[NH+]2CCC(CC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)c1C ZINC000093844293 494927312 /nfs/dbraw/zinc/92/73/12/494927312.db2.gz BTCCQKZDQRXVPB-IAGOWNOFSA-N 2 0 362.562 3.231 20 0 FGADRP C[C@@H]([NH2+]CCN1CCc2sccc2C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000132828200 494930413 /nfs/dbraw/zinc/93/04/13/494930413.db2.gz TZMVCFSVBBDTEZ-QGZVFWFLSA-N 2 0 373.566 3.397 20 0 FGADRP O=C([C@H]1CCC[N@@H+]1Cc1ccccc1)N1CCC([NH2+]C2CCCC2)CC1 ZINC000109924901 494933622 /nfs/dbraw/zinc/93/36/22/494933622.db2.gz QYDFIGSELPWSMA-OAQYLSRUSA-N 2 0 355.526 3.174 20 0 FGADRP CN(C)CC[NH+]1CCC(C[NH2+][C@@H]2CCCOc3cc4c(cc32)CCC4)CC1 ZINC000122263383 494949002 /nfs/dbraw/zinc/94/90/02/494949002.db2.gz FYQZSLNWFYXBGI-JOCHJYFZSA-N 2 0 371.569 3.252 20 0 FGADRP Cc1nccn1-c1ccc([C@H](C)[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)cc1 ZINC000132974414 494951166 /nfs/dbraw/zinc/95/11/66/494951166.db2.gz JVEXLDDVVREIRX-PKOBYXMFSA-N 2 0 368.525 3.332 20 0 FGADRP C[C@H]([NH2+]CCN1CCC([NH+](C)C)CC1)c1ccc(Br)cc1F ZINC000127516910 494955435 /nfs/dbraw/zinc/95/54/35/494955435.db2.gz PCEAUFQNPAFNNU-ZDUSSCGKSA-N 2 0 372.326 3.265 20 0 FGADRP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCC(C(=O)N2CCCC2)CC1 ZINC000122495023 494984868 /nfs/dbraw/zinc/98/48/68/494984868.db2.gz AUOHECDGHKROCZ-UHFFFAOYSA-N 2 0 371.569 3.479 20 0 FGADRP Cc1ccc(F)c(N2CCC[C@@H]([NH+]3CCC(CC[NH+](C)C)CC3)C2=O)c1 ZINC000118532705 495006936 /nfs/dbraw/zinc/00/69/36/495006936.db2.gz ICTTXYIYOHLBEP-LJQANCHMSA-N 2 0 361.505 3.293 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)NCCCC[NH+]2CCCC[C@@H]2C)C1 ZINC000097428395 495035909 /nfs/dbraw/zinc/03/59/09/495035909.db2.gz YMWDPTMIFLSSOI-ZCNNSNEGSA-N 2 0 366.594 3.308 20 0 FGADRP CC[NH+](CC)Cc1ccc(CNC(=O)N(C)[C@@H]2CC[N@H+](CC)C[C@H]2C)cc1 ZINC000128076644 495040423 /nfs/dbraw/zinc/04/04/23/495040423.db2.gz ORVYGNRQLVUBOV-WIYYLYMNSA-N 2 0 374.573 3.400 20 0 FGADRP C[NH+](C)CC[C@H](NC(=O)N1CCC([NH2+]C2CCCC2)CC1)C(C)(C)C ZINC000133650638 495041394 /nfs/dbraw/zinc/04/13/94/495041394.db2.gz CKBDPKAZUPWGOK-SFHVURJKSA-N 2 0 352.567 3.059 20 0 FGADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)NCc2ccccc2C[NH+](C)C(C)C)[C@H](C)C1 ZINC000128234995 495065004 /nfs/dbraw/zinc/06/50/04/495065004.db2.gz KWUVHFNCXDPVRN-WIYYLYMNSA-N 2 0 374.573 3.399 20 0 FGADRP NC(=O)[C@@H](NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccc(F)cc1 ZINC000111374481 495068607 /nfs/dbraw/zinc/06/86/07/495068607.db2.gz PFHXZNZUYZAQLJ-VTHDOGFWSA-N 2 0 367.468 3.137 20 0 FGADRP CC[C@H]([NH2+]CCCN1CCC[N@H+](C)CC1)c1cc(Cl)ccc1OC ZINC000128275756 495072409 /nfs/dbraw/zinc/07/24/09/495072409.db2.gz VSQFFOGUJCQDFD-SFHVURJKSA-N 2 0 353.938 3.417 20 0 FGADRP C[C@@H](CNC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)[N@H+](C)Cc1ccccc1 ZINC000111445474 495075543 /nfs/dbraw/zinc/07/55/43/495075543.db2.gz UWJYWLPFRADPHP-INIZCTEOSA-N 2 0 360.546 3.115 20 0 FGADRP COc1cc(C[NH2+]C[C@@H](C)C[NH+]2CCCC2)ccc1OCC(F)(F)F ZINC000101593567 495083261 /nfs/dbraw/zinc/08/32/61/495083261.db2.gz CBNAGQGCUUJOBV-CQSZACIVSA-N 2 0 360.420 3.458 20 0 FGADRP CC(C)[NH+]1CCC(C(=O)Nc2cccc(N3CC[NH+](C(C)C)CC3)c2)CC1 ZINC000123170476 495091138 /nfs/dbraw/zinc/09/11/38/495091138.db2.gz BKYHENRKSPHCRY-UHFFFAOYSA-N 2 0 372.557 3.276 20 0 FGADRP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)C1 ZINC000134150793 495113461 /nfs/dbraw/zinc/11/34/61/495113461.db2.gz OZGCEEPQXLMEGO-FPOVZHCZSA-N 2 0 372.557 3.101 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)N(C)[C@@H]1CC[N@H+](CC)C[C@H]1C)c1ccco1 ZINC000128725498 495141504 /nfs/dbraw/zinc/14/15/04/495141504.db2.gz HFDXRQWAJZELAB-KURKYZTESA-N 2 0 364.534 3.034 20 0 FGADRP Cn1cc(CN[C@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)c(C(F)(F)F)n1 ZINC000574403454 505765251 /nfs/dbraw/zinc/76/52/51/505765251.db2.gz CLCYUTXJDUMJAZ-HOTGVXAUSA-N 2 0 352.404 3.364 20 0 FGADRP C[C@H]([NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1)c1ccc(Cl)cc1 ZINC000112542254 495203145 /nfs/dbraw/zinc/20/31/45/495203145.db2.gz FNWAQKCNDLFBBE-HNNXBMFYSA-N 2 0 359.901 3.482 20 0 FGADRP C[C@H]([NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1)c1ccc(F)c(F)c1 ZINC000112542247 495203425 /nfs/dbraw/zinc/20/34/25/495203425.db2.gz APNKSKYBUJDAEP-AWEZNQCLSA-N 2 0 361.436 3.107 20 0 FGADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N(C)[C@@H]2CC[NH+](CC)C[C@@H]2C)C1 ZINC000129207118 495211140 /nfs/dbraw/zinc/21/11/40/495211140.db2.gz LJGIYJYEDGEKTM-IPMKNSEASA-N 2 0 366.594 3.259 20 0 FGADRP c1cc(OCCC[N@@H+]2CC[C@@H]3[C@H](CCCN3C3CC3)C2)cc2c1OCO2 ZINC000134904910 495219746 /nfs/dbraw/zinc/21/97/46/495219746.db2.gz PZBMAQYFHLXNEG-VQIMIIECSA-N 2 0 358.482 3.133 20 0 FGADRP O=C(CN1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)NC1(c2ccccc2)CCC1 ZINC000134904588 495219818 /nfs/dbraw/zinc/21/98/18/495219818.db2.gz JAQOTVRYELWPCK-NQIIRXRSSA-N 2 0 367.537 3.131 20 0 FGADRP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+]1CCCC(C)(C)C1 ZINC000112701621 495226242 /nfs/dbraw/zinc/22/62/42/495226242.db2.gz XJKBKNKTLIAXJW-GOSISDBHSA-N 2 0 357.542 3.278 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)N(C)CC[NH+]1CCCC1 ZINC000112742438 495233926 /nfs/dbraw/zinc/23/39/26/495233926.db2.gz HHSZXXIYZISYJE-LJQANCHMSA-N 2 0 372.557 3.298 20 0 FGADRP CC[NH+]1CCC(NC(=O)NCc2ccccc2C[NH+]2CCCCCC2)CC1 ZINC000112740591 495234206 /nfs/dbraw/zinc/23/42/06/495234206.db2.gz YYKQBXCLBZBTDV-UHFFFAOYSA-N 2 0 372.557 3.346 20 0 FGADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1ccc(NC(=O)c2cccnc2)cc1 ZINC000129427036 495244270 /nfs/dbraw/zinc/24/42/70/495244270.db2.gz CYKZQVNWYNXNJL-GQIGUUNPSA-N 2 0 352.482 3.152 20 0 FGADRP CC1CC[NH+](Cc2ccccc2CNC(=O)N2CC[C@@H](C[NH+](C)C)C2)CC1 ZINC000129456944 495248058 /nfs/dbraw/zinc/24/80/58/495248058.db2.gz QCOWQMKDWGIGFX-IBGZPJMESA-N 2 0 372.557 3.012 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000129457625 495248118 /nfs/dbraw/zinc/24/81/18/495248118.db2.gz UEIVISDIPPNGHN-RTBURBONSA-N 2 0 372.557 3.154 20 0 FGADRP Cc1ccc([C@H](CNC(=O)N(C)CC2CC[NH+](C)CC2)[NH+]2CCCC2)cc1 ZINC000103612749 495250049 /nfs/dbraw/zinc/25/00/49/495250049.db2.gz KZFXAAOAJZFLKW-NRFANRHFSA-N 2 0 372.557 3.115 20 0 FGADRP C[C@@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)c1ccc(Br)s1 ZINC000124366797 495276651 /nfs/dbraw/zinc/27/66/51/495276651.db2.gz XQILGRLPBKHTGL-CYBMUJFWSA-N 2 0 374.392 3.435 20 0 FGADRP C[NH+](C)CC[C@@H](NC(=O)NCc1ccc(C[NH+](C)C)c(F)c1)C(C)(C)C ZINC000135439415 495292960 /nfs/dbraw/zinc/29/29/60/495292960.db2.gz OYEFALVHVARLJV-GOSISDBHSA-N 2 0 366.525 3.053 20 0 FGADRP CCn1cc([C@H](C)[NH2+]Cc2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)cn1 ZINC000124572349 495309485 /nfs/dbraw/zinc/30/94/85/495309485.db2.gz PFHARKOCGOXPET-KSZLIROESA-N 2 0 356.514 3.363 20 0 FGADRP CCC[NH+]1CCC(C[NH2+]C[C@@H](O)Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000574444898 505775278 /nfs/dbraw/zinc/77/52/78/505775278.db2.gz HIEGHEXCMVCRDW-SFHVURJKSA-N 2 0 358.448 3.320 20 0 FGADRP C[C@@H](c1ccccc1)[NH+]1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000120277672 495342024 /nfs/dbraw/zinc/34/20/24/495342024.db2.gz GUWNRNGIZMAUIT-IBGZPJMESA-N 2 0 357.542 3.452 20 0 FGADRP C[NH+](C)[C@H]1CCCN(C(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)C1 ZINC000105207783 495345685 /nfs/dbraw/zinc/34/56/85/495345685.db2.gz IKAMMFQSAMXRCN-NRFANRHFSA-N 2 0 372.557 3.298 20 0 FGADRP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)NCCCC[NH+]2CCC(C)CC2)C1 ZINC000124913397 495362979 /nfs/dbraw/zinc/36/29/79/495362979.db2.gz BHVNXRYPYUABPZ-FQEVSTJZSA-N 2 0 366.594 3.166 20 0 FGADRP CC(C)[NH+]1CCC(NC(=O)C[N@H+](CCc2ccccc2)C2CCCC2)CC1 ZINC000114455848 495377162 /nfs/dbraw/zinc/37/71/62/495377162.db2.gz VHQZBSSSQAEYIU-UHFFFAOYSA-N 2 0 371.569 3.463 20 0 FGADRP Cc1nc(CC[NH+]2CCC(CC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)cs1 ZINC000125083817 495389126 /nfs/dbraw/zinc/38/91/26/495389126.db2.gz KQMZSCRSQPOZRN-HZPDHXFCSA-N 2 0 351.560 3.205 20 0 FGADRP CCC[NH+]1CCN(c2ccccc2C[N@@H+]2CC[C@H](COC(F)F)C2)CC1 ZINC000568799724 505779450 /nfs/dbraw/zinc/77/94/50/505779450.db2.gz DJWFTEHBGCNBDY-KRWDZBQOSA-N 2 0 367.484 3.280 20 0 FGADRP C[NH+]1CCN(c2ccc(C[NH2+][C@H]3CC(C)(C)Cc4occc43)cn2)CC1 ZINC000130474511 495397950 /nfs/dbraw/zinc/39/79/50/495397950.db2.gz XSNMHNKPLCRYEF-SFHVURJKSA-N 2 0 354.498 3.230 20 0 FGADRP CCOc1ccccc1[C@H](C)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000130526398 495406063 /nfs/dbraw/zinc/40/60/63/495406063.db2.gz JREFAVCROKNMKQ-KRWDZBQOSA-N 2 0 354.498 3.083 20 0 FGADRP CC[NH+](CC)Cc1cccc(C[NH2+][C@@H](C)C(=O)NCc2ccccc2F)c1 ZINC000114748624 495421343 /nfs/dbraw/zinc/42/13/43/495421343.db2.gz KVXWOXWXIOFQKE-KRWDZBQOSA-N 2 0 371.500 3.462 20 0 FGADRP Cc1cccc(N2CC[NH+](CCCC[NH2+][C@@H](C)c3cnccn3)CC2)c1 ZINC000125329014 495427265 /nfs/dbraw/zinc/42/72/65/495427265.db2.gz URFHDQJBZUYGHD-IBGZPJMESA-N 2 0 353.514 3.038 20 0 FGADRP CC(C)[NH+]1CCC(NC(=O)NC[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC000137426675 495441085 /nfs/dbraw/zinc/44/10/85/495441085.db2.gz IYGLZYXZQVFFSD-QUCCMNQESA-N 2 0 372.557 3.069 20 0 FGADRP C[N@H+](CCC(=O)Nc1ccccc1C(F)(F)F)C[C@@H]1CCC[NH+](C)C1 ZINC000137478059 495442669 /nfs/dbraw/zinc/44/26/69/495442669.db2.gz VDPHCKMRGUHKFP-CQSZACIVSA-N 2 0 357.420 3.308 20 0 FGADRP C[C@H](C[NH2+][C@H](C)c1ccc(F)c(Br)c1)CN1CC[NH+](C)CC1 ZINC000120826589 495465979 /nfs/dbraw/zinc/46/59/79/495465979.db2.gz BTUZOECFSONCKU-ZIAGYGMSSA-N 2 0 372.326 3.122 20 0 FGADRP Cc1ccc([C@@H](CNC(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)[NH+]2CCCC2)o1 ZINC000106554534 495468691 /nfs/dbraw/zinc/46/86/91/495468691.db2.gz MWSOCOQUWYZZBB-IEBWSBKVSA-N 2 0 374.529 3.041 20 0 FGADRP C[N@@H+]1CCCN(CCC[NH2+]Cc2ccc(-c3c(F)cccc3F)o2)CC1 ZINC000115616686 495521478 /nfs/dbraw/zinc/52/14/78/495521478.db2.gz URINNQRWDMTVSO-UHFFFAOYSA-N 2 0 363.452 3.342 20 0 FGADRP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccc(Cl)c4cccnc34)C2)CC1 ZINC000107368155 495525862 /nfs/dbraw/zinc/52/58/62/495525862.db2.gz BHSAIHKHPZIDBZ-QGZVFWFLSA-N 2 0 358.917 3.100 20 0 FGADRP CCOc1ccc([C@@H](C)[NH2+]Cc2cccnc2N2CC[NH+](C)CC2)cc1 ZINC000158534379 495532237 /nfs/dbraw/zinc/53/22/37/495532237.db2.gz GZVPDYYNKSAJOM-QGZVFWFLSA-N 2 0 354.498 3.083 20 0 FGADRP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)N(C)CCC[NH+](C)C)C1 ZINC000185353985 495543792 /nfs/dbraw/zinc/54/37/92/495543792.db2.gz DSNKRLOJZJDTDN-RTBURBONSA-N 2 0 374.573 3.258 20 0 FGADRP [NH3+]Cc1ccc(CNC(=O)NCc2ccccc2C[NH+]2CCCCC2)cc1 ZINC000571676228 505788887 /nfs/dbraw/zinc/78/88/87/505788887.db2.gz GAHIDSWKEAPHJX-UHFFFAOYSA-N 2 0 366.509 3.131 20 0 FGADRP C[C@@H](NC(=O)NC1CC[NH+](C(C)(C)C)CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182547250 495608815 /nfs/dbraw/zinc/60/88/15/495608815.db2.gz ZGTKOUDRMYGSKJ-IAGOWNOFSA-N 2 0 364.578 3.202 20 0 FGADRP C[C@H](CNC(=O)N[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)[NH+]1CCC(C)CC1 ZINC000182564011 495617749 /nfs/dbraw/zinc/61/77/49/495617749.db2.gz GKNDEGKHVVRBOH-GUDVDZBRSA-N 2 0 364.578 3.059 20 0 FGADRP CC(C)Oc1cccc(CN2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)c1 ZINC000182579723 495623518 /nfs/dbraw/zinc/62/35/18/495623518.db2.gz CLUNXPHNBLZBQY-WCRBZPEASA-N 2 0 357.542 3.217 20 0 FGADRP Cc1ccc(Cl)c(OC[C@H](O)C[NH+]2CCC(CCC[NH+](C)C)CC2)c1 ZINC000182591102 495627311 /nfs/dbraw/zinc/62/73/11/495627311.db2.gz FXIOUZSBRDOTGI-GOSISDBHSA-N 2 0 368.949 3.442 20 0 FGADRP C[C@H](C(=O)N[C@@H](C)c1ccc(Cl)cc1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150816931 495643402 /nfs/dbraw/zinc/64/34/02/495643402.db2.gz VVYIFIVFDCFJFY-GVDBMIGSSA-N 2 0 363.933 3.323 20 0 FGADRP CCC(CC)[C@H](CNC(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1)[NH+]1CCCC1 ZINC000173681637 495646437 /nfs/dbraw/zinc/64/64/37/495646437.db2.gz SPJOMVMBQOTPEC-NEWSRXKRSA-N 2 0 352.567 3.011 20 0 FGADRP C[C@H]([NH2+]C[C@H](O)COc1ccccc1Cl)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185662436 495668047 /nfs/dbraw/zinc/66/80/47/495668047.db2.gz PMHBHDDFSJMMFT-JZXOWHBKSA-N 2 0 366.933 3.322 20 0 FGADRP CCOc1ccc(Cl)cc1[C@@H](C)[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000150966974 495696596 /nfs/dbraw/zinc/69/65/96/495696596.db2.gz ZPSGEHMXYCGAOF-OAHLLOKOSA-N 2 0 353.938 3.415 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N1CC[C@H]([NH+]2CCCC2)C1)c1ccsc1 ZINC000171038121 495699382 /nfs/dbraw/zinc/69/93/82/495699382.db2.gz REBIIFBBOLAREY-ZWKOTPCHSA-N 2 0 364.559 3.011 20 0 FGADRP CC[C@@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1ccc(OC(F)F)cc1 ZINC000150992390 495704623 /nfs/dbraw/zinc/70/46/23/495704623.db2.gz HTXQLBUSAVROQE-GOSISDBHSA-N 2 0 355.473 3.355 20 0 FGADRP C[N@@H+]1CCCN(CCC[NH2+]Cc2cc(Cl)ccc2Br)CC1 ZINC000173836838 495714153 /nfs/dbraw/zinc/71/41/53/495714153.db2.gz DKPXRNJAXOGKJN-UHFFFAOYSA-N 2 0 374.754 3.220 20 0 FGADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1ccc(Cl)c(Br)c1 ZINC000185874457 495759520 /nfs/dbraw/zinc/75/95/20/495759520.db2.gz LZDRDVYZYCWGRS-ZDUSSCGKSA-N 2 0 374.754 3.218 20 0 FGADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H](C)c1ccc(SCC(F)F)cc1 ZINC000154902736 495766896 /nfs/dbraw/zinc/76/68/96/495766896.db2.gz NIACRHOZXNLLHQ-HUUCEWRRSA-N 2 0 357.514 3.330 20 0 FGADRP C[C@@H](CNC(=O)NC1CC[NH+](CC2CCCC2)CC1)[NH+]1CCC(C)CC1 ZINC000171201628 495767164 /nfs/dbraw/zinc/76/71/64/495767164.db2.gz SQFKUYRYFDVGTA-SFHVURJKSA-N 2 0 364.578 3.061 20 0 FGADRP C[C@H]1[C@H]([NH+]2CCCC2)CCN1Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000580637203 505803137 /nfs/dbraw/zinc/80/31/37/505803137.db2.gz YESJCLGWTIPQCB-SIKLNZKXSA-N 2 0 370.585 3.276 20 0 FGADRP Cc1nc(-c2cc([C@H](C)[NH2+][C@@H](C)CN3CC[NH+](C)CC3)cs2)cs1 ZINC000155001517 495800245 /nfs/dbraw/zinc/80/02/45/495800245.db2.gz KFNMIBADUVOIKJ-KBPBESRZSA-N 2 0 364.584 3.467 20 0 FGADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H](C)c1cc(Cl)ccc1OC(F)F ZINC000155076877 495827547 /nfs/dbraw/zinc/82/75/47/495827547.db2.gz GWOXPXLGJJUDPB-CHWSQXEVSA-N 2 0 361.864 3.228 20 0 FGADRP CCNC(=O)C(C)(C)C[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000183160101 495861081 /nfs/dbraw/zinc/86/10/81/495861081.db2.gz NIOQFGQOFDNZPC-HSALFYBXSA-N 2 0 357.542 3.039 20 0 FGADRP CCN1CC[NH+](CCCC[NH2+][C@@H]2CCc3[nH]c4ccc(C)cc4c3C2)CC1 ZINC000180110817 495862520 /nfs/dbraw/zinc/86/25/20/495862520.db2.gz GUAQTQOZFSKUIC-LJQANCHMSA-N 2 0 368.569 3.341 20 0 FGADRP COC(=O)COc1ccccc1[C@@H](C)[NH2+]Cc1ccc(C[NH+](C)C)cc1 ZINC000183308731 495925477 /nfs/dbraw/zinc/92/54/77/495925477.db2.gz QZRMHKVLVWKMEN-MRXNPFEDSA-N 2 0 356.466 3.151 20 0 FGADRP CSC1(C[NH2+][C@@H](C)c2ccc(Br)cn2)CC[NH+](C)CC1 ZINC000580681516 505812720 /nfs/dbraw/zinc/81/27/20/505812720.db2.gz VBVNQOQMXZNZKM-LBPRGKRZSA-N 2 0 358.349 3.322 20 0 FGADRP CC[NH+](CC)Cc1cc([C@@H](C)[NH2+][C@H]2CCc3n[nH]cc3C2)ccc1OC ZINC000183340091 495937959 /nfs/dbraw/zinc/93/79/59/495937959.db2.gz KGGQLTWLFZQDBT-BEFAXECRSA-N 2 0 356.514 3.468 20 0 FGADRP Cc1c([C@@H](C)[NH2+]CC2CC[NH+](CCO)CC2)cnn1-c1cc(C)ccc1C ZINC000151793065 495949003 /nfs/dbraw/zinc/94/90/03/495949003.db2.gz AIJSCLFUFNBSEE-GOSISDBHSA-N 2 0 370.541 3.152 20 0 FGADRP CC(C)C[NH+]1CCC(NC(=O)N[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC000177181110 495963549 /nfs/dbraw/zinc/96/35/49/495963549.db2.gz SPFIRWAUIHVUHM-RXVVDRJESA-N 2 0 372.557 3.069 20 0 FGADRP [NH3+]C[C@@H](C(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)c1ccccc1 ZINC000571793829 505817003 /nfs/dbraw/zinc/81/70/03/505817003.db2.gz DIRRTSTVGABBEE-QUCCMNQESA-N 2 0 371.912 3.336 20 0 FGADRP Cc1nn(C)c(C)c1CCC[NH2+][C@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000183483233 496004275 /nfs/dbraw/zinc/00/42/75/496004275.db2.gz MXRDCRYYBARXLM-MRXNPFEDSA-N 2 0 358.530 3.261 20 0 FGADRP C[C@H]([NH2+]Cc1ccc(C[NH+](C)C)cc1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000174580270 496019914 /nfs/dbraw/zinc/01/99/14/496019914.db2.gz XNALBTCOJQMUHZ-AWEZNQCLSA-N 2 0 364.486 3.142 20 0 FGADRP COc1ccc([C@@H]([NH2+][C@@H](C)CN2CC[NH+](C)CC2)c2ccccc2)cc1 ZINC000180496654 496020956 /nfs/dbraw/zinc/02/09/56/496020956.db2.gz RVGALXNQHUBCQD-AVRDEDQJSA-N 2 0 353.510 3.010 20 0 FGADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000186567852 496049145 /nfs/dbraw/zinc/04/91/45/496049145.db2.gz CUNBUVMDPAFWEQ-HUUCEWRRSA-N 2 0 359.436 3.262 20 0 FGADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@H](C)c1nc(-c2ccccc2)cs1 ZINC000186602941 496068282 /nfs/dbraw/zinc/06/82/82/496068282.db2.gz CYKWEBLFONFEEF-IAGOWNOFSA-N 2 0 358.555 3.487 20 0 FGADRP C[NH+]1CCC(CC[NH2+]Cc2cc(Br)cc3c2OCC3)CC1 ZINC000155803096 496073276 /nfs/dbraw/zinc/07/32/76/496073276.db2.gz IEJUIBSUCGYBOD-UHFFFAOYSA-N 2 0 353.304 3.206 20 0 FGADRP C[C@@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000152451462 496156603 /nfs/dbraw/zinc/15/66/03/496156603.db2.gz NJKHWAPGWNLBPR-JKSUJKDBSA-N 2 0 363.933 3.151 20 0 FGADRP Cc1ccc([C@H](CNC(=O)c2cccc(C[NH+](C)C)c2)[NH+]2CCCC2)o1 ZINC000156107338 496159437 /nfs/dbraw/zinc/15/94/37/496159437.db2.gz KNIGKWVKDLWZRH-IBGZPJMESA-N 2 0 355.482 3.217 20 0 FGADRP CC(C)N1CCC[C@@H]([NH2+]Cc2ccccc2C[N@H+](C)Cc2ccco2)C1=O ZINC000175014981 496208252 /nfs/dbraw/zinc/20/82/52/496208252.db2.gz WAXWRDJIJJBZHI-OAQYLSRUSA-N 2 0 369.509 3.401 20 0 FGADRP CC[N@H+](C)C[C@@H]1CC[NH+](C[C@H](O)CO[C@@H](C)c2ccc(Cl)cc2)C1 ZINC000177838896 496217989 /nfs/dbraw/zinc/21/79/89/496217989.db2.gz WYBSBHFMISDPEV-BXWFABGCSA-N 2 0 354.922 3.052 20 0 FGADRP CC[N@H+](C)C[C@H]1CCN(C(=O)NC2CC[NH+]([C@@H](C)c3ccccc3)CC2)C1 ZINC000177878730 496235420 /nfs/dbraw/zinc/23/54/20/496235420.db2.gz LTDOROZUKUZTET-RBUKOAKNSA-N 2 0 372.557 3.195 20 0 FGADRP CC[NH+]1CCN(Cc2ccccc2C[NH2+][C@H](C)C2CCSCC2)CC1 ZINC000187016916 496253359 /nfs/dbraw/zinc/25/33/59/496253359.db2.gz NDMYTCSKEMDINM-GOSISDBHSA-N 2 0 361.599 3.445 20 0 FGADRP CCNC(=O)c1ccc(C[NH2+][C@@H](C)c2cccc(OCC[NH+](C)C)c2)cc1 ZINC000156497996 496261650 /nfs/dbraw/zinc/26/16/50/496261650.db2.gz IKZMMVYQHZGNRG-KRWDZBQOSA-N 2 0 369.509 3.228 20 0 FGADRP COc1cc(N[C@H]2CCCN(CCC[NH+]3CCCCC3)C2)cc(OC)c1 ZINC000161938603 496266958 /nfs/dbraw/zinc/26/69/58/496266958.db2.gz VTCIBNKVXGWOPI-SFHVURJKSA-N 2 0 361.530 3.456 20 0 FGADRP CC[C@@H]([NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc2c(c1)OCCO2 ZINC000178035766 496298071 /nfs/dbraw/zinc/29/80/71/496298071.db2.gz WUJUXJUFSNITIL-ZIFCJYIRSA-N 2 0 362.514 3.388 20 0 FGADRP Cc1cccc2c1[C@H](C)C[C@H]2[NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000152962624 496309148 /nfs/dbraw/zinc/30/91/48/496309148.db2.gz WILMYYXUDLTILA-YLJYHZDGSA-N 2 0 350.510 3.480 20 0 FGADRP Cc1cccc2c1[C@@H](C)C[C@@H]2[NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000152962513 496309167 /nfs/dbraw/zinc/30/91/67/496309167.db2.gz WILMYYXUDLTILA-PXNSSMCTSA-N 2 0 350.510 3.480 20 0 FGADRP C[NH+](C)[C@H](CNC(=O)N1CCC[N@@H+](C2CCCC2)CC1)c1cccs1 ZINC000172507691 496321773 /nfs/dbraw/zinc/32/17/73/496321773.db2.gz XKIWZZPVVVJHCI-QGZVFWFLSA-N 2 0 364.559 3.011 20 0 FGADRP C[C@H]([NH2+]C(C)(C)CNC(=O)N(C)CC1([NH+](C)C)CCC1)c1ccccc1 ZINC000187172829 496324890 /nfs/dbraw/zinc/32/48/90/496324890.db2.gz UYMODTNOGUMGJO-KRWDZBQOSA-N 2 0 360.546 3.242 20 0 FGADRP Clc1ccc(-n2cc(C[NH2+][C@@H]3C[C@H]3C3CC[NH2+]CC3)nn2)cc1Cl ZINC000577995911 505837464 /nfs/dbraw/zinc/83/74/64/505837464.db2.gz SHMKZBPEYWHQHS-WMLDXEAASA-N 2 0 366.296 3.052 20 0 FGADRP Cc1nc(-c2ccccc2)sc1[C@@H](C)[NH2+]CCCN1CC[NH+](C)CC1 ZINC000162550421 496372117 /nfs/dbraw/zinc/37/21/17/496372117.db2.gz WXCIFCIABRJRLD-MRXNPFEDSA-N 2 0 358.555 3.407 20 0 FGADRP C[C@@H]1C[C@@H]([N@H+](C)C[C@H](O)COc2ccccc2)CCN1Cc1ccccc1 ZINC000156976323 496377419 /nfs/dbraw/zinc/37/74/19/496377419.db2.gz WZMACBRFRBGGQH-HJNYFJLDSA-N 2 0 368.521 3.411 20 0 FGADRP COc1ccc([C@@H](C)[NH2+]Cc2cccc(OCC[NH+](C)C)c2)c(OC)c1 ZINC000162583776 496377542 /nfs/dbraw/zinc/37/75/42/496377542.db2.gz CQHTZWGCQIZECD-MRXNPFEDSA-N 2 0 358.482 3.495 20 0 FGADRP Cc1cccc(N2CC[NH+](CCC(=O)Nc3ccc([C@@H](C)[NH3+])cc3)CC2)c1 ZINC000178238387 496381798 /nfs/dbraw/zinc/38/17/98/496381798.db2.gz CVXQFOIMRBCZPY-GOSISDBHSA-N 2 0 366.509 3.166 20 0 FGADRP CC(C)[NH+]1CCN(c2ccc(C(=O)Nc3ccc([C@@H](C)[NH3+])cc3)cc2)CC1 ZINC000178261281 496391699 /nfs/dbraw/zinc/39/16/99/496391699.db2.gz WMQBGPADZHDBHX-QGZVFWFLSA-N 2 0 366.509 3.489 20 0 FGADRP CC[NH+](CC)CCCNC(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000175524799 496426655 /nfs/dbraw/zinc/42/66/55/496426655.db2.gz QRPAXHDQKJKRGF-UHFFFAOYSA-N 2 0 360.546 3.024 20 0 FGADRP CCCN(CC[NH+](CC)CC)C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000153350984 496429116 /nfs/dbraw/zinc/42/91/16/496429116.db2.gz XMVYAUVKFZODOX-UHFFFAOYSA-N 2 0 352.567 3.157 20 0 FGADRP Cc1ccc([C@H](C)NC(=O)CN2CCC[C@H]([NH+]3CCCC3)CC2)cc1C ZINC000157250101 496438144 /nfs/dbraw/zinc/43/81/44/496438144.db2.gz FCCJGLCTQNHIRY-FPOVZHCZSA-N 2 0 357.542 3.431 20 0 FGADRP CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)N(C)C[C@@H]1CCC[NH+](C)C1 ZINC000187478348 496458918 /nfs/dbraw/zinc/45/89/18/496458918.db2.gz SPYLJGBCSHPXTL-NHCUHLMSSA-N 2 0 374.573 3.126 20 0 FGADRP C[C@@H]([NH2+]C[C@H]1CCN(CC(F)(F)F)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000163092611 496462895 /nfs/dbraw/zinc/46/28/95/496462895.db2.gz CIEFSLRBNGQYIU-HZPDHXFCSA-N 2 0 373.463 3.162 20 0 FGADRP C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000181629632 496476351 /nfs/dbraw/zinc/47/63/51/496476351.db2.gz BPRQGRPNHCLXMJ-VCOUNFBDSA-N 2 0 369.553 3.420 20 0 FGADRP C[C@H](CCNC(=O)N1CCC([NH+]2CCCC2)CC1)[N@H+](C)Cc1ccccc1 ZINC000175637647 496476698 /nfs/dbraw/zinc/47/66/98/496476698.db2.gz PBORMXBOQZPXAS-LJQANCHMSA-N 2 0 372.557 3.167 20 0 FGADRP CCC[NH+]1CCC(N(C)C(=O)NCC[C@@H](C)[N@H+](C)Cc2ccccc2)CC1 ZINC000175646744 496482067 /nfs/dbraw/zinc/48/20/67/496482067.db2.gz WMCHERLHYQARCF-LJQANCHMSA-N 2 0 374.573 3.413 20 0 FGADRP C[NH+](C)Cc1cccc(NC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000163218776 496483170 /nfs/dbraw/zinc/48/31/70/496483170.db2.gz YBIPIFXPPOPZTN-XLIONFOSSA-N 2 0 356.514 3.229 20 0 FGADRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)C1 ZINC000157499935 496490350 /nfs/dbraw/zinc/49/03/50/496490350.db2.gz YGJNTMLRFJEZOM-MOPGFXCFSA-N 2 0 364.578 3.157 20 0 FGADRP CC(C)n1cncc1CNc1ccc(C(=O)N(C)[C@H]2CCC[N@H+](C)C2)cc1 ZINC000580828133 505847822 /nfs/dbraw/zinc/84/78/22/505847822.db2.gz DSKODANYLRGOSO-IBGZPJMESA-N 2 0 369.513 3.242 20 0 FGADRP CC[C@H]([NH2+][C@@H](C)C(=O)N1CCN(c2ccccn2)CC1)c1ccc(C)cc1 ZINC000181701596 496509207 /nfs/dbraw/zinc/50/92/07/496509207.db2.gz WTBDMPVKCWZQPR-ICSRJNTNSA-N 2 0 366.509 3.168 20 0 FGADRP CCOc1ccccc1NC(=O)[C@H](c1ccccc1)N1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000574757391 505849113 /nfs/dbraw/zinc/84/91/13/505849113.db2.gz GEKAECCXYZYUMT-BLIXFSHQSA-N 2 0 367.493 3.434 20 0 FGADRP CCC[NH+]1CCC(CNC(=O)NCc2ccccc2C[NH+](CC)CC)CC1 ZINC000157691111 496530432 /nfs/dbraw/zinc/53/04/32/496530432.db2.gz AIPTUODKAJNBNF-UHFFFAOYSA-N 2 0 374.573 3.450 20 0 FGADRP CC[NH+](CC)Cc1cccc(C[NH2+][C@H](C)c2ccc(-n3cnnn3)cc2)c1 ZINC000163571947 496533591 /nfs/dbraw/zinc/53/35/91/496533591.db2.gz LQSHIPSQDHWHLP-QGZVFWFLSA-N 2 0 364.497 3.355 20 0 FGADRP C[C@@H](CCNC(=O)NCCCC[NH+]1CCC(C)CC1)[NH+]1CCCCC1 ZINC000184843337 496554313 /nfs/dbraw/zinc/55/43/13/496554313.db2.gz UNSXXOALWIGDBW-IBGZPJMESA-N 2 0 352.567 3.062 20 0 FGADRP CCO[C@@H]1C[C@H]([NH2+]CC2(N3CCCCC3)CC[NH+](C)CC2)C12CCCC2 ZINC000181827469 496560953 /nfs/dbraw/zinc/56/09/53/496560953.db2.gz AGXITCPNSOIWQL-VQTJNVASSA-N 2 0 363.590 3.264 20 0 FGADRP Clc1ccc(C[C@@H]2CCC[C@@H]2[NH2+]Cc2nnc(C3CC[NH2+]CC3)[nH]2)cc1 ZINC000569095200 505851862 /nfs/dbraw/zinc/85/18/62/505851862.db2.gz JUBTXEWTILUWHE-WMZOPIPTSA-N 2 0 373.932 3.426 20 0 FGADRP COC[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H](C)C1)C1CCOCC1 ZINC000187776978 496567084 /nfs/dbraw/zinc/56/70/84/496567084.db2.gz APGJQGGMMYPFKC-GCJKJVERSA-N 2 0 360.542 3.450 20 0 FGADRP C[C@H]([NH2+]CCCC[NH+]1CCN(Cc2ccccc2)CC1)c1cncc(F)c1 ZINC000163934406 496571656 /nfs/dbraw/zinc/57/16/56/496571656.db2.gz YGXKEWVVXSVQCZ-IBGZPJMESA-N 2 0 370.516 3.469 20 0 FGADRP Cc1ccc([C@@H](CNC(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)[NH+](C)C)cc1 ZINC000157907677 496582429 /nfs/dbraw/zinc/58/24/29/496582429.db2.gz GRACMIFPASIQII-NHCUHLMSSA-N 2 0 372.557 3.258 20 0 FGADRP C[NH+](C)[C@H](CNC(=O)C[N@H+](C)[C@@H]1CCc2ccccc21)c1ccccc1 ZINC000184942444 496594489 /nfs/dbraw/zinc/59/44/89/496594489.db2.gz ONKVZQHUFNCKCV-NHCUHLMSSA-N 2 0 351.494 3.025 20 0 FGADRP CC[C@H](C(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccc(C)s2)C1)[NH+](CC)CC ZINC000571953278 505854016 /nfs/dbraw/zinc/85/40/16/505854016.db2.gz OILQMCWWBMJPIC-PKOBYXMFSA-N 2 0 365.587 3.457 20 0 FGADRP CC[N@@H+]1CC[C@H](NCC2([NH2+][C@@H](C)c3ccccc3)CCOCC2)[C@H](C)C1 ZINC000153922481 496624316 /nfs/dbraw/zinc/62/43/16/496624316.db2.gz NMGCXNJJQZBSOI-DYXWJJEUSA-N 3 0 359.558 3.206 20 0 FGADRP C[NH+](C)Cc1ccc(C(=O)N2CCC(CCC[NH+]3CCCC3)CC2)cc1 ZINC000153930654 496626754 /nfs/dbraw/zinc/62/67/54/496626754.db2.gz WMHZDNQSXMWCRP-UHFFFAOYSA-N 2 0 357.542 3.476 20 0 FGADRP C[C@H]1C[C@H](NC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)C[N@@H+]1C1CC1 ZINC000158159854 496640732 /nfs/dbraw/zinc/64/07/32/496640732.db2.gz DOJPUTPRDRBYGW-HKUYNNGSSA-N 2 0 355.526 3.030 20 0 FGADRP CCO[C@@H]1C[C@H]([NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)C12CCCC2 ZINC000182029298 496641826 /nfs/dbraw/zinc/64/18/26/496641826.db2.gz HVVRBFRWCZSLIJ-FUMNGEBKSA-N 2 0 350.547 3.082 20 0 FGADRP C[C@@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000158210171 496651236 /nfs/dbraw/zinc/65/12/36/496651236.db2.gz BYNKIZRFNWZJBM-HOTGVXAUSA-N 2 0 351.922 3.008 20 0 FGADRP C[C@@H]1C[C@@H](N(C)C(=O)NCC2([NH+]3CCCCC3)CCCCC2)CC[N@@H+]1C ZINC000173346467 496653071 /nfs/dbraw/zinc/65/30/71/496653071.db2.gz DNQBNCZFWFRYHY-MOPGFXCFSA-N 2 0 364.578 3.299 20 0 FGADRP C[C@H]([NH2+]Cc1ccc(CN2CC[NH+](C)CC2)cc1)c1ccc(Cl)nc1 ZINC000179109762 496679295 /nfs/dbraw/zinc/67/92/95/496679295.db2.gz BKGRNUSCUYUXCY-INIZCTEOSA-N 2 0 358.917 3.333 20 0 FGADRP CC1(C(=O)NCC[NH+]2CCCCCC2)CC[NH+](Cc2ccccc2)CC1 ZINC000182128818 496680196 /nfs/dbraw/zinc/68/01/96/496680196.db2.gz VOWWBCMDUPZUEK-UHFFFAOYSA-N 2 0 357.542 3.281 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)C[C@H]1CCC[NH2+]1)c1ccc(C(F)(F)F)cc1 ZINC000166246079 496680510 /nfs/dbraw/zinc/68/05/10/496680510.db2.gz PVWLLUCLLXZFMY-SJORKVTESA-N 2 0 371.447 3.347 20 0 FGADRP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)N3CCC[C@@H](C[NH3+])C3)cc2)C1 ZINC000580882053 505860205 /nfs/dbraw/zinc/86/02/05/505860205.db2.gz NZKHGSIFOUUGJD-OPYAIIAOSA-N 2 0 372.557 3.045 20 0 FGADRP COc1ccc(C[C@H](C)C[NH+]2CCC(C[NH+]3CCOCC3)CC2)cc1F ZINC000185238165 496713912 /nfs/dbraw/zinc/71/39/12/496713912.db2.gz LLONFKHYJZQVDT-KRWDZBQOSA-N 2 0 364.505 3.057 20 0 FGADRP O[C@H]1CC[N@H+](Cc2ccccc2C[NH2+][C@H]2CCCOc3ccccc32)C1 ZINC000182269701 496723640 /nfs/dbraw/zinc/72/36/40/496723640.db2.gz DPMCZOXKCSPJJB-FPOVZHCZSA-N 2 0 352.478 3.257 20 0 FGADRP C[C@@H](C[NH2+]Cc1c(Cl)cccc1N1CC[NH+](C)CC1)c1nccs1 ZINC000185305716 496726885 /nfs/dbraw/zinc/72/68/85/496726885.db2.gz XLZJPEZAHHABTP-AWEZNQCLSA-N 2 0 364.946 3.442 20 0 FGADRP COc1cccc2c1CCC[C@H]2[NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000194853281 496736494 /nfs/dbraw/zinc/73/64/94/496736494.db2.gz XNBDAHTUCNTVCV-HXUWFJFHSA-N 2 0 366.509 3.009 20 0 FGADRP CC[C@H](C(=O)N1CCC([NH2+][C@@H]2C[C@@H](C)N(C3CC3)C2)CC1)c1ccccc1 ZINC000247075347 496772739 /nfs/dbraw/zinc/77/27/39/496772739.db2.gz QKVOYDLMWQRLLB-ZNLUXHQJSA-N 2 0 369.553 3.386 20 0 FGADRP C[C@H](Cn1cc(Br)cn1)[NH2+]CCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000247107372 496779824 /nfs/dbraw/zinc/77/98/24/496779824.db2.gz QIKDOLVJYFHPIN-BZUAXINKSA-N 2 0 371.367 3.382 20 0 FGADRP CC1CC[NH+](CCCC[NH2+][C@H]2CCN(Cc3ccccn3)C[C@H]2C)CC1 ZINC000247137483 496789686 /nfs/dbraw/zinc/78/96/86/496789686.db2.gz SBZKHXOPJYUMOL-IRLDBZIGSA-N 2 0 358.574 3.394 20 0 FGADRP Cc1nc(C)c([C@H](C)[NH2+]CCCN2CCN(c3cc[nH+]cc3)CC2)s1 ZINC000268799048 496789890 /nfs/dbraw/zinc/78/98/90/496789890.db2.gz IUMVNHQJYHNOEA-HNNXBMFYSA-N 2 0 359.543 3.018 20 0 FGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@H]2CCSc3ccc(OC)cc32)CC1 ZINC000191510132 496791614 /nfs/dbraw/zinc/79/16/14/496791614.db2.gz VCFAFKQGLMADCE-LPHOPBHVSA-N 2 0 363.571 3.095 20 0 FGADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CCC[C@H]2c2cccc(N(C)C)c2)CC1 ZINC000191513246 496792591 /nfs/dbraw/zinc/79/25/91/496792591.db2.gz OYSVGTXWGPGOPM-QFIPXVFZSA-N 2 0 358.574 3.306 20 0 FGADRP C[NH+](C)C[C@H](NC(=O)c1ccc(C[NH+]2CCCC2)cc1)c1ccc(F)cc1 ZINC000569163652 505866503 /nfs/dbraw/zinc/86/65/03/505866503.db2.gz PWDPYZZKBKQQFV-NRFANRHFSA-N 2 0 369.484 3.454 20 0 FGADRP Cc1cccc(C[C@H](CO)[NH2+][C@H](C)c2cccc(OCC[NH+](C)C)c2)c1 ZINC000191602892 496828217 /nfs/dbraw/zinc/82/82/17/496828217.db2.gz OTZGYVQCDSFCBK-WIYYLYMNSA-N 2 0 356.510 3.190 20 0 FGADRP CC[NH+](CC)CCCNC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000247320850 496834348 /nfs/dbraw/zinc/83/43/48/496834348.db2.gz HZWNWDRQKBWUMF-PZJWPPBQSA-N 2 0 374.573 3.413 20 0 FGADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)c3ccc(C[NH+]4CCCCC4)cc3)CC[C@@H]21 ZINC000268972596 496839391 /nfs/dbraw/zinc/83/93/91/496839391.db2.gz ATZFHJXLBGEYST-RTWAWAEBSA-N 2 0 355.526 3.229 20 0 FGADRP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000247339972 496839506 /nfs/dbraw/zinc/83/95/06/496839506.db2.gz NRMCXXZMQUUWBI-KSZLIROESA-N 2 0 364.578 3.059 20 0 FGADRP C[C@H]([NH2+]C[C@H](CCO)c1ccccc1)c1cccc(OCC[NH+](C)C)c1 ZINC000268993713 496844577 /nfs/dbraw/zinc/84/45/77/496844577.db2.gz NELJUZCSCDWSAD-RXVVDRJESA-N 2 0 356.510 3.444 20 0 FGADRP CC(C)[NH+]1CCC(O)(C[NH2+][C@@H](C)CCc2ccc(OC(F)F)cc2)CC1 ZINC000269029810 496853268 /nfs/dbraw/zinc/85/32/68/496853268.db2.gz UCWYMGNCXUDMOG-INIZCTEOSA-N 2 0 370.484 3.434 20 0 FGADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H](C)c1ccc(OC(F)F)c(OC)c1 ZINC000269075194 496865544 /nfs/dbraw/zinc/86/55/44/496865544.db2.gz NJUIHNNAFJVYGT-ZFWWWQNUSA-N 2 0 360.445 3.304 20 0 FGADRP C[NH+](C)Cc1cccc(NC(=O)c2ccc3c(ccn3CCC[NH3+])c2)c1 ZINC000269233347 496900901 /nfs/dbraw/zinc/90/09/01/496900901.db2.gz KCXLLBVDZKFJFR-UHFFFAOYSA-N 2 0 350.466 3.304 20 0 FGADRP C[C@@H]([NH3+])C1CCN(C(=O)NCc2ccccc2C[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000580941374 505873534 /nfs/dbraw/zinc/87/35/34/505873534.db2.gz FMGZDZVAAYKUEU-QZTJIDSGSA-N 2 0 372.557 3.187 20 0 FGADRP CCc1ccccc1C[NH+]1CCC(C(=O)NCCC[NH+](CC)CC)CC1 ZINC000188842174 496925379 /nfs/dbraw/zinc/92/53/79/496925379.db2.gz ZIDXCGQDBRCGPX-UHFFFAOYSA-N 2 0 359.558 3.309 20 0 FGADRP C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2Cc2ccccc2)[C@H]1c1ccccc1 ZINC000248141988 496962793 /nfs/dbraw/zinc/96/27/93/496962793.db2.gz YRNZPOOZNMKPDG-FDFHNCONSA-N 2 0 363.505 3.213 20 0 FGADRP O=C(CC[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1)NC1CCCC1 ZINC000248200198 496973231 /nfs/dbraw/zinc/97/32/31/496973231.db2.gz YKUAJWRSYRZHDQ-RBBKRZOGSA-N 2 0 369.553 3.422 20 0 FGADRP CN(c1ccccc1C[NH2+][C@@H]1CCO[C@@H](C2CC2)C1)C1CC[NH+](C)CC1 ZINC000248388348 496990066 /nfs/dbraw/zinc/99/00/66/496990066.db2.gz DNCJQJFLWZULKL-DENIHFKCSA-N 2 0 357.542 3.264 20 0 FGADRP CCc1nc2c(s1)[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1)CCC2 ZINC000248434333 497010842 /nfs/dbraw/zinc/01/08/42/497010842.db2.gz DUUCYDUOGRJBQX-MSOLQXFVSA-N 2 0 371.550 3.439 20 0 FGADRP CC[NH+]1CCN([C@H](C)C[NH2+]Cc2ccc(Br)c(Cl)c2)CC1 ZINC000192165923 497021257 /nfs/dbraw/zinc/02/12/57/497021257.db2.gz HNHBQYNPICXNNL-CYBMUJFWSA-N 2 0 374.754 3.218 20 0 FGADRP COc1ccccc1-c1nc(C2CC[NH+](CCCn3ccnc3)CC2)no1 ZINC000192343082 497080443 /nfs/dbraw/zinc/08/04/43/497080443.db2.gz LCXHFTNXIGVUKA-UHFFFAOYSA-N 2 0 367.453 3.211 20 0 FGADRP CC[NH+](CC)Cc1ccc(C(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)cc1 ZINC000270254154 497086808 /nfs/dbraw/zinc/08/68/08/497086808.db2.gz QTTBANZKBFSOFK-NRFANRHFSA-N 2 0 357.542 3.332 20 0 FGADRP c1ccc2c(c1)NCCC[C@@H]2[NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000572080100 505883939 /nfs/dbraw/zinc/88/39/39/505883939.db2.gz WQHXCWMKLFDZOX-QFIPXVFZSA-N 2 0 365.525 3.130 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)[C@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)[C@H](C)C1 ZINC000248735003 497093125 /nfs/dbraw/zinc/09/31/25/497093125.db2.gz KPOSKXDUMGEBTJ-BVGQSLNGSA-N 2 0 367.896 3.247 20 0 FGADRP Cc1ccc2cc(C[NH2+]C3CC[NH+]([C@H]4CCCC[C@@H]4O)CC3)ccc2n1 ZINC000189386596 497102423 /nfs/dbraw/zinc/10/24/23/497102423.db2.gz MQUSRRXLNWGBDA-VXKWHMMOSA-N 2 0 353.510 3.401 20 0 FGADRP CC[NH+]1CCN(CCC[NH2+][C@@H](C)c2cc(Cl)c(N)c(Cl)c2)CC1 ZINC000270427430 497125967 /nfs/dbraw/zinc/12/59/67/497125967.db2.gz HDJNGGDJRJGRSU-ZDUSSCGKSA-N 2 0 359.345 3.254 20 0 FGADRP C[C@@H]([NH2+]CC1CC[NH+](C2CC2)CC1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000278530362 497145237 /nfs/dbraw/zinc/14/52/37/497145237.db2.gz UBFZIQCXKVYAHH-OAHLLOKOSA-N 2 0 356.514 3.496 20 0 FGADRP C[C@H]([NH2+]CCN1CCC([NH+](C)C)CC1)c1cc(Cl)c(N)c(Cl)c1 ZINC000270537125 497147031 /nfs/dbraw/zinc/14/70/31/497147031.db2.gz WMIYBJXEAOZCCP-LBPRGKRZSA-N 2 0 359.345 3.252 20 0 FGADRP CCS(=O)(=O)c1c(Cl)cccc1C[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000278544672 497148895 /nfs/dbraw/zinc/14/88/95/497148895.db2.gz YBRZBVSKRXJYPF-UHFFFAOYSA-N 2 0 370.946 3.098 20 0 FGADRP C[N@H+](CCOc1cccc(C[NH2+]C[C@H]2CCSC2)c1)C1CCOCC1 ZINC000278556939 497152929 /nfs/dbraw/zinc/15/29/29/497152929.db2.gz VULITYKVPJGXKY-GOSISDBHSA-N 2 0 364.555 3.019 20 0 FGADRP CCC[C@H]([NH3+])C(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000236870888 497160824 /nfs/dbraw/zinc/16/08/24/497160824.db2.gz UDMNNHDXYNILFA-BHYGNILZSA-N 2 0 371.447 3.332 20 0 FGADRP CC[NH+](CC)CCOc1ccccc1NC(=O)C[C@H](C)C1CC[NH2+]CC1 ZINC000236876258 497161610 /nfs/dbraw/zinc/16/16/10/497161610.db2.gz QBJZCEFWVCCTSH-KRWDZBQOSA-N 2 0 361.530 3.372 20 0 FGADRP CC[NH+](CC)CCOc1ccc(NC(=O)C[C@H](C)C2CC[NH2+]CC2)cc1 ZINC000236885844 497162671 /nfs/dbraw/zinc/16/26/71/497162671.db2.gz GDELJFOABOZQHN-KRWDZBQOSA-N 2 0 361.530 3.372 20 0 FGADRP C[C@@H]1CN(Cc2ccccc2)C[C@H]1[NH2+]CC1CCN(CC(F)(F)F)CC1 ZINC000249106748 497167863 /nfs/dbraw/zinc/16/78/63/497167863.db2.gz LKXPCOZTDHJYDS-VQIMIIECSA-N 2 0 369.475 3.371 20 0 FGADRP COc1cc(F)c(C[NH2+]Cc2cccc(OCC[NH+](C)C)c2)cc1OC ZINC000569248821 505889289 /nfs/dbraw/zinc/88/92/89/505889289.db2.gz CZXOQTILHPSDIV-UHFFFAOYSA-N 2 0 362.445 3.073 20 0 FGADRP COC[C@@H]([NH2+]Cc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1)C1CCOCC1 ZINC000249204626 497180091 /nfs/dbraw/zinc/18/00/91/497180091.db2.gz VKZQIVYWIPLPBM-PGRDOPGGSA-N 2 0 360.542 3.450 20 0 FGADRP C[N@@H+]1CCC[C@@H](CNC(=O)C(C)(C)C[NH3+])[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000237079546 497188658 /nfs/dbraw/zinc/18/86/58/497188658.db2.gz BPZGWIWCZUQAHB-HOCLYGCPSA-N 2 0 371.447 3.189 20 0 FGADRP CN(CC[N@H+](C)Cc1ccccc1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000278692966 497191585 /nfs/dbraw/zinc/19/15/85/497191585.db2.gz SHPGLSGZMVYOLD-UHFFFAOYSA-N 2 0 366.553 3.152 20 0 FGADRP COc1ccc(Cl)cc1C[N@H+](C)CCCN1CC[NH+](C(C)C)CC1 ZINC000192715300 497193673 /nfs/dbraw/zinc/19/36/73/497193673.db2.gz OXTNAUXUJOQXNA-UHFFFAOYSA-N 2 0 353.938 3.197 20 0 FGADRP CC(C)[NH+]1CCN(CCC[NH+]2CCC(OCc3ccccc3)CC2)CC1 ZINC000192715742 497193714 /nfs/dbraw/zinc/19/37/14/497193714.db2.gz ULWBKWROOFBOET-UHFFFAOYSA-N 2 0 359.558 3.084 20 0 FGADRP C[NH2+]CCCC(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000237173966 497200509 /nfs/dbraw/zinc/20/05/09/497200509.db2.gz WYENJKFOSKOQHC-MAUKXSAKSA-N 2 0 371.447 3.204 20 0 FGADRP C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)[C@@H]1c1cccs1 ZINC000237183315 497202196 /nfs/dbraw/zinc/20/21/96/497202196.db2.gz AXUIBBQJUFXXSI-CNMWIUBYSA-N 2 0 361.555 3.168 20 0 FGADRP C[C@H]([NH2+]Cc1cccc(-n2cncn2)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274961389 497206766 /nfs/dbraw/zinc/20/67/66/497206766.db2.gz WSGGYQVNTZRKAU-RXVVDRJESA-N 2 0 361.493 3.268 20 0 FGADRP C[NH2+]CC(=O)NC[C@H](c1ccc(C(C)C)cc1)N1CCc2sccc2C1 ZINC000237232956 497207972 /nfs/dbraw/zinc/20/79/72/497207972.db2.gz PGYWZLZKNKITTK-LJQANCHMSA-N 2 0 371.550 3.307 20 0 FGADRP CCCC[N@H+](C)C[C@H](C)NC(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000574968607 505893486 /nfs/dbraw/zinc/89/34/86/505893486.db2.gz CVSHWSLNFHKOQR-IRXDYDNUSA-N 2 0 366.575 3.305 20 0 FGADRP FC(F)(F)CN1CCC([NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000192931193 497251185 /nfs/dbraw/zinc/25/11/85/497251185.db2.gz SJSCARXEKPUUJD-KRWDZBQOSA-N 2 0 355.448 3.125 20 0 FGADRP C[C@H](CC(=O)Nc1ccccc1NC1CC[NH+](C)CC1)[C@@H]1CCC[NH2+]C1 ZINC000237536577 497251951 /nfs/dbraw/zinc/25/19/51/497251951.db2.gz XCLSPHCOZLLDGB-IAGOWNOFSA-N 2 0 358.530 3.157 20 0 FGADRP C[C@@H](CCNC(=O)CC[C@@H]([NH3+])c1ccccc1)[N@H+](C)Cc1ccccc1 ZINC000237559612 497256162 /nfs/dbraw/zinc/25/61/62/497256162.db2.gz XAIRAYXSWWRYGA-GHTZIAJQSA-N 2 0 353.510 3.493 20 0 FGADRP Cc1ccccc1C[NH+]1CCC(NC(=O)C[C@@H](C)[C@@H]2CCC[NH2+]C2)CC1 ZINC000237599657 497261010 /nfs/dbraw/zinc/26/10/10/497261010.db2.gz OTOWIBJWGYMCCI-RTBURBONSA-N 2 0 357.542 3.101 20 0 FGADRP C[C@H](CC(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)C1CC[NH2+]CC1 ZINC000237651282 497269716 /nfs/dbraw/zinc/26/97/16/497269716.db2.gz RVTPSSBTLGXKGN-SJORKVTESA-N 2 0 363.571 3.102 20 0 FGADRP Cc1ccc([C@@H](CNC(=O)NCCC[N@H+]2CCCC[C@H]2C)[NH+](C)C)cc1 ZINC000251500810 497273617 /nfs/dbraw/zinc/27/36/17/497273617.db2.gz WEHOWYIRNVFVBS-UYAOXDASSA-N 2 0 360.546 3.161 20 0 FGADRP CC(C)CC[N@@H+]1Cc2cccc(NC(=O)c3cc([C@@H]4CC[NH2+]C4)[nH]n3)c2C1 ZINC000278993633 497294817 /nfs/dbraw/zinc/29/48/17/497294817.db2.gz LHWFORZUPXGUKL-OAHLLOKOSA-N 2 0 367.497 3.101 20 0 FGADRP c1cn2c(n1)CC[C@@H](C[NH2+][C@@H]1C[C@H]3CC[C@@H](C1)[N@H+]3Cc1ccccc1)C2 ZINC000279010223 497302751 /nfs/dbraw/zinc/30/27/51/497302751.db2.gz SUTQMPGNAUMPSO-XSDIEEQYSA-N 2 0 350.510 3.231 20 0 FGADRP [NH3+][C@H](CC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1)c1ccccc1 ZINC000237862343 497304149 /nfs/dbraw/zinc/30/41/49/497304149.db2.gz JRLGIQYVCMNIFZ-OAQYLSRUSA-N 2 0 351.494 3.379 20 0 FGADRP c1cn(-c2ccccc2)nc1CC[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000572147881 505901041 /nfs/dbraw/zinc/90/10/41/505901041.db2.gz YAPJDRIXCBMUMF-GMAHTHKFSA-N 2 0 374.488 3.260 20 0 FGADRP [NH3+][C@@H](CC(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1)c1ccccc1 ZINC000237906251 497311780 /nfs/dbraw/zinc/31/17/80/497311780.db2.gz VUCQCYNFWSHDBC-FQEVSTJZSA-N 2 0 369.534 3.307 20 0 FGADRP [NH3+][C@H](CCC(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1)c1ccccc1 ZINC000237923387 497315099 /nfs/dbraw/zinc/31/50/99/497315099.db2.gz PTWZJMKVEQKGBD-NHCUHLMSSA-N 2 0 351.494 3.420 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCC(=O)Nc2ccccc2C)[C@H](C)C1 ZINC000189993354 497318575 /nfs/dbraw/zinc/31/85/75/497318575.db2.gz TYMHBKQFMPPDFV-MOPGFXCFSA-N 2 0 361.530 3.050 20 0 FGADRP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+][C@@H]1CCc2ccc(Br)cc21 ZINC000253355739 497326311 /nfs/dbraw/zinc/32/63/11/497326311.db2.gz GMZDLODJMRGRRC-FUHWJXTLSA-N 2 0 367.331 3.263 20 0 FGADRP O=C(NCc1ccc(C[NH+]2CCCCCC2)cc1)[C@H]1CC12CC[NH2+]CC2 ZINC000238055859 497334671 /nfs/dbraw/zinc/33/46/71/497334671.db2.gz HXKPIISLJIVEAL-HXUWFJFHSA-N 2 0 355.526 3.069 20 0 FGADRP C[NH+](C)Cc1ccc(-c2noc([C@H]3CCC[N@@H+]3C3CCOCC3)n2)cc1 ZINC000275539315 497357790 /nfs/dbraw/zinc/35/77/90/497357790.db2.gz ZVBQPPOILHYVTM-GOSISDBHSA-N 2 0 356.470 3.114 20 0 FGADRP C[NH+](C)CCc1ccccc1NC(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC000275570340 497367666 /nfs/dbraw/zinc/36/76/66/497367666.db2.gz CKLLZPMNFVMARF-FQEVSTJZSA-N 2 0 372.488 3.354 20 0 FGADRP CCC[N@H+](C)C[C@H]1CCN(CC(=O)N(C)[C@H](C)c2ccc(F)c(F)c2)C1 ZINC000245440736 497407969 /nfs/dbraw/zinc/40/79/69/497407969.db2.gz UVKBTPXUUFWYMA-HZPDHXFCSA-N 2 0 367.484 3.148 20 0 FGADRP CCN(CCC[NH+]1CCCC1)C(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000190237981 497409780 /nfs/dbraw/zinc/40/97/80/497409780.db2.gz PPMKYOQMAFYSJD-RBUKOAKNSA-N 2 0 364.578 3.157 20 0 FGADRP C[NH+](C)CCc1ccccc1NC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000275709841 497410108 /nfs/dbraw/zinc/41/01/08/497410108.db2.gz UNOIDRIYRVZBHI-RXVVDRJESA-N 2 0 370.541 3.271 20 0 FGADRP C[C@H](C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]([NH3+])c1ccccc1 ZINC000261573461 497415688 /nfs/dbraw/zinc/41/56/88/497415688.db2.gz APSJUSOSTPLNCI-WMQCIHAUSA-N 2 0 351.494 3.055 20 0 FGADRP C[C@H]1CC[N@H+](Cc2cn(C3CCCC3)nc2-c2ccccn2)C[C@@H]1C[NH3+] ZINC000575021400 505906471 /nfs/dbraw/zinc/90/64/71/505906471.db2.gz CHXODYVNGLCXMF-IRXDYDNUSA-N 2 0 353.514 3.477 20 0 FGADRP CC[C@H](C(=O)NC[C@@H](c1ccsc1)[NH+](C)C)[N@H+](C)Cc1ccccc1 ZINC000572170476 505906667 /nfs/dbraw/zinc/90/66/67/505906667.db2.gz SMLXDJSNYJPEFH-MOPGFXCFSA-N 2 0 359.539 3.378 20 0 FGADRP Cn1ccnc1CN(Cc1cc2ccccc2o1)[C@H]1CC12CC[NH2+]CC2 ZINC000261745281 497442866 /nfs/dbraw/zinc/44/28/66/497442866.db2.gz KTKRXITXDXPMNZ-IBGZPJMESA-N 2 0 350.466 3.311 20 0 FGADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)CC(=O)Nc2ccc(Br)cc2)C1 ZINC000261765766 497446334 /nfs/dbraw/zinc/44/63/34/497446334.db2.gz GFGYVOHUDXHGOV-KGLIPLIRSA-N 2 0 368.319 3.098 20 0 FGADRP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)CC[C@@H]2CC[NH2+]C2)C1 ZINC000261778576 497449331 /nfs/dbraw/zinc/44/93/31/497449331.db2.gz JHTVPIVHUDUKRU-GUDVDZBRSA-N 2 0 357.542 3.170 20 0 FGADRP CCc1nc2ccccc2n1CC(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000261834398 497458763 /nfs/dbraw/zinc/45/87/63/497458763.db2.gz ZIPXXGKRXHAPAA-UHFFFAOYSA-N 2 0 352.413 3.022 20 0 FGADRP C[C@]1(C[NH3+])CC[N@H+](CCC(=O)N[C@@H](c2cccs2)c2ccccc2)C1 ZINC000261896489 497471472 /nfs/dbraw/zinc/47/14/72/497471472.db2.gz WAUHOHJTQXLOCT-WOJBJXKFSA-N 2 0 357.523 3.015 20 0 FGADRP C[N@@H+]1CC[C@@H](NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)[C@@H]1c1ccccc1 ZINC000245612338 497474190 /nfs/dbraw/zinc/47/41/90/497474190.db2.gz BXPHPYJJPGRYAX-MSOLQXFVSA-N 2 0 358.530 3.040 20 0 FGADRP C[C@H](c1ccc2ccccc2c1)[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000261934857 497478647 /nfs/dbraw/zinc/47/86/47/497478647.db2.gz WQRJGLUOWDDLCU-FGSXEWAUSA-N 2 0 365.521 3.481 20 0 FGADRP Brc1cccc(OC2CC[NH+](CC3CC[NH2+]CC3)CC2)c1 ZINC000261949794 497481159 /nfs/dbraw/zinc/48/11/59/497481159.db2.gz NVJOJOIJGUMVFQ-UHFFFAOYSA-N 2 0 353.304 3.292 20 0 FGADRP O=C(Nc1ccc(F)c(Cl)c1)C1CC[NH+](C[C@H]2CCC[NH2+]C2)CC1 ZINC000262022010 497493798 /nfs/dbraw/zinc/49/37/98/497493798.db2.gz WGISKBDVUKKCJU-ZDUSSCGKSA-N 2 0 353.869 3.129 20 0 FGADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)N[C@H]2CC[NH+](C)[C@@H]2c2ccccc2)C1 ZINC000245677815 497498534 /nfs/dbraw/zinc/49/85/34/497498534.db2.gz UIOYKBPIZUYEPD-HLAWJBBLSA-N 2 0 372.557 3.243 20 0 FGADRP C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)[C@H]([NH3+])c3ccccc3)cc2)C1 ZINC000262088580 497506338 /nfs/dbraw/zinc/50/63/38/497506338.db2.gz CDXRCRYCTMQLJI-DYESRHJHSA-N 2 0 351.494 3.235 20 0 FGADRP C[C@H](c1ccc(F)c(Cl)c1)[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000262181332 497521280 /nfs/dbraw/zinc/52/12/80/497521280.db2.gz IRSUSEBMMQVUNX-QWQRMKEZSA-N 2 0 367.896 3.120 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+] ZINC000262231831 497526526 /nfs/dbraw/zinc/52/65/26/497526526.db2.gz GXECRVLYAWGMDS-WPJATSFPSA-N 2 0 369.553 3.167 20 0 FGADRP CC(C)(C)c1ccc(C[N@@H+]2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)s1 ZINC000262236934 497527981 /nfs/dbraw/zinc/52/79/81/497527981.db2.gz OQOPDPURJWHSPL-NVXWUHKLSA-N 2 0 363.571 3.126 20 0 FGADRP Ic1ccc([C@@H]2CCC[N@@H+]2CC2CC[NH2+]CC2)cc1 ZINC000262289956 497535531 /nfs/dbraw/zinc/53/55/31/497535531.db2.gz VXECSVOCUMKZGZ-INIZCTEOSA-N 2 0 370.278 3.428 20 0 FGADRP C[NH+]1CCN(C[C@H]([NH2+][C@@H]2CCCc3ccc(O)cc32)c2ccccc2)CC1 ZINC000569344786 505913265 /nfs/dbraw/zinc/91/32/65/505913265.db2.gz CDBJLFHYFAKEBB-PKTZIBPZSA-N 2 0 365.521 3.348 20 0 FGADRP Cc1c([C@H](C)[NH2+]CCCN2CCN(c3cc[nH+]cc3)CC2)cnn1C(C)C ZINC000276444264 497575750 /nfs/dbraw/zinc/57/57/50/497575750.db2.gz YKDYFPMUEQAEAF-SFHVURJKSA-N 2 0 370.545 3.030 20 0 FGADRP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)c1nc2ccc(Cl)cc2n1C ZINC000245942564 497579718 /nfs/dbraw/zinc/57/97/18/497579718.db2.gz BACAGMKTPCRLNG-ZBFHGGJFSA-N 2 0 364.921 3.114 20 0 FGADRP CC(C)n1nccc1C[NH2+]CCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000279907450 497583660 /nfs/dbraw/zinc/58/36/60/497583660.db2.gz LQWYRLVXPLUVLA-UHFFFAOYSA-N 2 0 355.530 3.156 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)[C@@H](C)C1 ZINC000245958922 497584702 /nfs/dbraw/zinc/58/47/02/497584702.db2.gz CKOJVFYYOMUIFO-RXVVDRJESA-N 2 0 372.557 3.023 20 0 FGADRP C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)[C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)CC1 ZINC000262626376 497586623 /nfs/dbraw/zinc/58/66/23/497586623.db2.gz BVDUDOGCLOJXCP-VSKRKVRLSA-N 2 0 369.553 3.278 20 0 FGADRP CC[NH+](CC)CCOc1ccccc1CNC(=O)[C@@H]([NH3+])c1ccc(C)cc1 ZINC000262652920 497591706 /nfs/dbraw/zinc/59/17/06/497591706.db2.gz LQYCEIZVSYCVSK-NRFANRHFSA-N 2 0 369.509 3.032 20 0 FGADRP C[NH+](C)CCn1ccc2ccc(NC(=O)[C@@H]3C[C@H]4CCCC[C@H]4[NH2+]3)cc21 ZINC000262659017 497593330 /nfs/dbraw/zinc/59/33/30/497593330.db2.gz FETJXDYJPVGTNA-QRQLOZEOSA-N 2 0 354.498 3.062 20 0 FGADRP CCC[C@](C)([NH3+])C(=O)NC[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000262696626 497601611 /nfs/dbraw/zinc/60/16/11/497601611.db2.gz DXRLLCVPIVMFQC-QBIMZIAESA-N 2 0 355.885 3.106 20 0 FGADRP CC[C@@H]([NH2+]C1CCN([C@H](C)c2ccncc2)CC1)C1(C(=O)OC)CCC1 ZINC000272447223 497630823 /nfs/dbraw/zinc/63/08/23/497630823.db2.gz FPFCTQYXFNFSKT-VQIMIIECSA-N 2 0 359.514 3.319 20 0 FGADRP CNC(=O)c1cccc(C[NH2+][C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000272463093 497634271 /nfs/dbraw/zinc/63/42/71/497634271.db2.gz KPEAEMZLYSJHTE-UTKZUKDTSA-N 2 0 351.494 3.046 20 0 FGADRP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000246181294 497650518 /nfs/dbraw/zinc/65/05/18/497650518.db2.gz CFEWUFIQGMMIMZ-KSEOMHKRSA-N 2 0 371.569 3.383 20 0 FGADRP Cc1cc(NC(=O)[C@H]2CCCC[C@]2(C)[NH3+])ccc1OCC[NH+]1CCCC1 ZINC000262948989 497664398 /nfs/dbraw/zinc/66/43/98/497664398.db2.gz JJAXZLMIDKTYCR-NQIIRXRSSA-N 2 0 359.514 3.316 20 0 FGADRP C[C@]([NH3+])(C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1)c1ccccc1 ZINC000262978649 497670784 /nfs/dbraw/zinc/67/07/84/497670784.db2.gz YMCXBDLPUDTGKQ-OAQYLSRUSA-N 2 0 369.534 3.091 20 0 FGADRP CCN(CCC[NH+]1CCCC1)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000190996307 497678021 /nfs/dbraw/zinc/67/80/21/497678021.db2.gz RGHZQIUIMFNFEU-UHFFFAOYSA-N 2 0 372.557 3.168 20 0 FGADRP Cc1cc(NC(=O)CC[NH+]2CCC(n3c(C)nc4ccccc43)CC2)no1 ZINC000280219840 497685757 /nfs/dbraw/zinc/68/57/57/497685757.db2.gz KZVWQLIKRVVAAE-UHFFFAOYSA-N 2 0 367.453 3.307 20 0 FGADRP C[C@H]1CN(Cc2ccccc2)C[C@H]1[NH2+]CCc1nc2c(cccc2F)n1C ZINC000246300387 497688928 /nfs/dbraw/zinc/68/89/28/497688928.db2.gz VEQYTLSXMWXLPO-QFBILLFUSA-N 2 0 366.484 3.365 20 0 FGADRP C[C@H](CC(=O)Nc1cccnc1Cl)[NH2+][C@@H]1CCN(C)[C@H]1c1ccccc1 ZINC000246325083 497696411 /nfs/dbraw/zinc/69/64/11/497696411.db2.gz FRHSWUMHAGCDMA-OGWOLHLISA-N 2 0 372.900 3.487 20 0 FGADRP C[C@H]([NH2+]C1(CNC(=O)N2CCC(CC[NH3+])CC2)CCCC1)c1ccccc1 ZINC000578368210 505923766 /nfs/dbraw/zinc/92/37/66/505923766.db2.gz HBTQRBGHPFDTSZ-SFHVURJKSA-N 2 0 372.557 3.420 20 0 FGADRP C[C@H]1C[C@@H](NC(=O)c2sccc2CN(C)C)C[N@@H+]1Cc1ccccc1 ZINC000268224078 497705021 /nfs/dbraw/zinc/70/50/21/497705021.db2.gz QZECDHRFPNVMJN-MAUKXSAKSA-N 2 0 357.523 3.203 20 0 FGADRP CC[NH+](CC)Cc1cccc(CNC(=O)N(C)[C@@H]2CC[N@H+](CC)C[C@@H]2C)c1 ZINC000246500703 497754623 /nfs/dbraw/zinc/75/46/23/497754623.db2.gz SPKRYGBVDSHYIV-GHTZIAJQSA-N 2 0 374.573 3.400 20 0 FGADRP C[NH+](C)Cc1cccc(C(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000194746718 497757658 /nfs/dbraw/zinc/75/76/58/497757658.db2.gz HPGAEHUCSJQMEI-HXUWFJFHSA-N 2 0 351.494 3.000 20 0 FGADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@H]2C[C@H](C)[NH+](Cc3ccccc3)C2)C1 ZINC000246564799 497775088 /nfs/dbraw/zinc/77/50/88/497775088.db2.gz NNRBNAKINACESG-JBACZVJFSA-N 2 0 372.557 3.023 20 0 FGADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@@H]2C[C@@H](C)[NH+](Cc3ccccc3)C2)C1 ZINC000246564790 497775276 /nfs/dbraw/zinc/77/52/76/497775276.db2.gz NNRBNAKINACESG-HLAWJBBLSA-N 2 0 372.557 3.023 20 0 FGADRP c1cnn(-c2ccc(CC[NH2+][C@H]3C[C@@]4(CC[NH2+]C4)Oc4ccccc43)cc2)c1 ZINC000581185014 505928649 /nfs/dbraw/zinc/92/86/49/505928649.db2.gz AAPONBXAVOTAFA-JTHBVZDNSA-N 2 0 374.488 3.260 20 0 FGADRP COc1ccc(-c2nc(C)c([C@@H](C)[NH2+]CCOCC[NH+](C)C)s2)cc1 ZINC000578425447 505936920 /nfs/dbraw/zinc/93/69/20/505936920.db2.gz YNIBILFUIJQHNJ-CQSZACIVSA-N 2 0 363.527 3.356 20 0 FGADRP Cc1noc(C2CCC([NH2+]Cc3ccccc3OCC[NH+](C)C)CC2)n1 ZINC000292054596 497857966 /nfs/dbraw/zinc/85/79/66/497857966.db2.gz GHOLVFJLEYJHAN-UHFFFAOYSA-N 2 0 358.486 3.134 20 0 FGADRP C[C@@H](CCCC[NH3+])NC(=O)[C@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000292058440 497859874 /nfs/dbraw/zinc/85/98/74/497859874.db2.gz JXAGBKOJJRCGTM-YJBOKZPZSA-N 2 0 371.447 3.075 20 0 FGADRP O[C@@H](C[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1)CC(F)(F)F ZINC000364267609 497870049 /nfs/dbraw/zinc/87/00/49/497870049.db2.gz JFYMGIHJQNXRBX-QGZVFWFLSA-N 2 0 356.432 3.288 20 0 FGADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@H]1CCc2nnc(-c3ccc(F)cc3)n2C1 ZINC000569474131 505943906 /nfs/dbraw/zinc/94/39/06/505943906.db2.gz VUAQEQCNMBNAHG-MNEFBYGVSA-N 2 0 371.504 3.299 20 0 FGADRP CC[NH+](CC)Cc1ccc(CNC(=O)NC2CC[NH+](C3CCC3)CC2)cc1 ZINC000296068887 497911025 /nfs/dbraw/zinc/91/10/25/497911025.db2.gz CNQACPZBHYUYQC-UHFFFAOYSA-N 2 0 372.557 3.345 20 0 FGADRP O=C(NCc1ccccc1C[NH+]1CCCC1)NC1CC[NH+](C2CCC2)CC1 ZINC000296119199 497928022 /nfs/dbraw/zinc/92/80/22/497928022.db2.gz HHESNLAGLHQQMN-UHFFFAOYSA-N 2 0 370.541 3.099 20 0 FGADRP COCC[N@H+](C)CC[C@H](NC(=O)c1ccc([C@@H](C)[NH3+])cc1)c1ccccc1 ZINC000572360914 505950252 /nfs/dbraw/zinc/95/02/52/505950252.db2.gz QWARBZLADXEMST-UTKZUKDTSA-N 2 0 369.509 3.146 20 0 FGADRP CCC[NH+]1CCN(c2ccccc2C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)CC1 ZINC000572364195 505950928 /nfs/dbraw/zinc/95/09/28/505950928.db2.gz XSBRNJCXXUGVJZ-LEWJYISDSA-N 3 0 370.585 3.040 20 0 FGADRP C[N@H+](CCCN1CC[NH+](C)CC1)Cc1cc(Cl)ccc1OCC1CC1 ZINC000569507700 505951289 /nfs/dbraw/zinc/95/12/89/505951289.db2.gz HFDULHOWXGBQRD-UHFFFAOYSA-N 2 0 365.949 3.198 20 0 FGADRP Cc1sc2nc(CN3CCCC3)nc(NC[C@@H]3CCC[N@H+]3C)c2c1C ZINC000301090137 497946959 /nfs/dbraw/zinc/94/69/59/497946959.db2.gz FJUBIEUTXKUJQL-HNNXBMFYSA-N 2 0 359.543 3.410 20 0 FGADRP C[C@@H]1C[C@@H](NC(=O)NCc2ccccc2C[NH+]2CCCCCC2)CC[NH2+]1 ZINC000572381061 505954688 /nfs/dbraw/zinc/95/46/88/505954688.db2.gz SJKKWRCKHCGWOT-XLIONFOSSA-N 2 0 358.530 3.002 20 0 FGADRP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(OCc2nccn2C)cc1 ZINC000364449200 497963081 /nfs/dbraw/zinc/96/30/81/497963081.db2.gz RUJDDUVUXPVJKF-QXAKKESOSA-N 2 0 354.498 3.277 20 0 FGADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+][C@H]2CC(=O)N3CCCC[C@@H]23)CC1 ZINC000575342948 505965222 /nfs/dbraw/zinc/96/52/22/505965222.db2.gz ZELCPNBDAYLUOR-JSRAGOMMSA-N 2 0 355.526 3.173 20 0 FGADRP CC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2CC(=O)N(C)C)c1ccc(F)cc1F ZINC000285205558 498021407 /nfs/dbraw/zinc/02/14/07/498021407.db2.gz SYEIRDZNSVPHNN-IYHXRUFHSA-N 2 0 365.468 3.089 20 0 FGADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+][C@H]2CC(=O)N3CCCC[C@H]23)CC1 ZINC000575342949 505965533 /nfs/dbraw/zinc/96/55/33/505965533.db2.gz ZELCPNBDAYLUOR-NSKBAKJYSA-N 2 0 355.526 3.173 20 0 FGADRP CC(C)[C@H]1OCCC[C@H]1Nc1nccc(N2CCC3(CCC[N@@H+]3C)CC2)n1 ZINC000330112680 498025941 /nfs/dbraw/zinc/02/59/41/498025941.db2.gz CEUQHCFCKNSVSW-IEBWSBKVSA-N 2 0 373.545 3.157 20 0 FGADRP COCCOCc1ccc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000289262369 498083498 /nfs/dbraw/zinc/08/34/98/498083498.db2.gz MUPIFWMUHCXNFB-IFMALSPDSA-N 2 0 358.526 3.298 20 0 FGADRP c1nc(C2OCCO2)sc1C[NH2+]Cc1ccc(C[NH+]2CCCC2)cc1 ZINC000289366143 498121920 /nfs/dbraw/zinc/12/19/20/498121920.db2.gz ZEUOWMMNEUOFGF-UHFFFAOYSA-N 2 0 359.495 3.074 20 0 FGADRP CCC[NH+](CCC)CCCC(=O)N[C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000364771601 498134987 /nfs/dbraw/zinc/13/49/87/498134987.db2.gz OWNLDNZMKNURDJ-PZJWPPBQSA-N 2 0 374.573 3.310 20 0 FGADRP C[NH+](C)CCCCC(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000572505234 505985597 /nfs/dbraw/zinc/98/55/97/505985597.db2.gz ZGZLCJXXXVGIIP-UHFFFAOYSA-N 2 0 357.542 3.233 20 0 FGADRP COc1cc2[nH+]ccc(N3CC[C@@H]([NH3+])[C@@H](C)C3)c2cc1Br ZINC000578639822 505987502 /nfs/dbraw/zinc/98/75/02/505987502.db2.gz GNNHJOWARVKSGE-GXFFZTMASA-N 2 0 350.260 3.179 20 0 FGADRP C[N@@H+]1CC[C@]2(CCN(CC3=Cc4cc(Br)ccc4OC3)C2)C1 ZINC000292824773 498160860 /nfs/dbraw/zinc/16/08/60/498160860.db2.gz QLAXJAOKWULTPG-SFHVURJKSA-N 2 0 363.299 3.253 20 0 FGADRP C[NH+]1CCN(c2cc[nH+]cc2NCc2cscc2Br)CC1 ZINC000578654540 505990660 /nfs/dbraw/zinc/99/06/60/505990660.db2.gz UDBGXWUKAGYERR-UHFFFAOYSA-N 2 0 367.316 3.270 20 0 FGADRP C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[C@@H]([NH3+])C2)[C@H]1c1cccc(Cl)c1 ZINC000364852681 498174441 /nfs/dbraw/zinc/17/44/41/498174441.db2.gz WAHMINZNKONXJQ-PSBWJHGTSA-N 2 0 363.933 3.357 20 0 FGADRP C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[C@H]([NH3+])C2)[C@@H]1c1cccc(Cl)c1 ZINC000364852680 498174833 /nfs/dbraw/zinc/17/48/33/498174833.db2.gz WAHMINZNKONXJQ-FPAYPSAMSA-N 2 0 363.933 3.357 20 0 FGADRP COc1ccc(OC(F)F)c(C[NH+]2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)c1 ZINC000575725469 505993339 /nfs/dbraw/zinc/99/33/39/505993339.db2.gz FQFAPYOCULFFTH-SJLPKXTDSA-N 2 0 370.440 3.015 20 0 FGADRP O[C@H](C[NH2+]CC1CC[NH+](C2CC2)CC1)COc1cc(Cl)ccc1Cl ZINC000575742259 505995265 /nfs/dbraw/zinc/99/52/65/505995265.db2.gz BGICRNANXNRYAM-MRXNPFEDSA-N 2 0 373.324 3.197 20 0 FGADRP C[C@@H](c1ccc(F)cc1)N1CC[C@@H]([NH+]2CCC(c3ncc[nH]3)CC2)C1=O ZINC000292930872 498200357 /nfs/dbraw/zinc/20/03/57/498200357.db2.gz YZIXWSQUUZZWHS-KBXCAEBGSA-N 2 0 356.445 3.090 20 0 FGADRP CS(=O)(=O)c1cccc(CN2CCC(c3ncc4n3CCCC4)CC2)c1 ZINC000296849492 498222159 /nfs/dbraw/zinc/22/21/59/498222159.db2.gz ONLOFVYCLGXGOJ-UHFFFAOYSA-N 2 0 373.522 3.003 20 0 FGADRP Cc1cc2cc([C@@H](C)[NH2+][C@@H]3CCC(=O)N[C@H]3C3CC[NH2+]CC3)oc2cc1C ZINC000569712830 505999837 /nfs/dbraw/zinc/99/98/37/505999837.db2.gz OSZLQXYAEDUEQF-LDJQZATESA-N 2 0 369.509 3.347 20 0 FGADRP CC[C@H](C)[NH2+][C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1)c1ccco1 ZINC000575777143 506002908 /nfs/dbraw/zinc/00/29/08/506002908.db2.gz NOBIQTUSAVRAKL-IHPCNDPISA-N 2 0 369.509 3.490 20 0 FGADRP C[C@@H]([NH2+][C@H]1CCO[C@@H]1c1cccnc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000289686333 498247567 /nfs/dbraw/zinc/24/75/67/498247567.db2.gz ZXRYZPIIIXMHTM-KDXIVRHGSA-N 2 0 351.494 3.412 20 0 FGADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H](C)Cc1cccc(C(F)(F)F)c1 ZINC000281739312 498252396 /nfs/dbraw/zinc/25/23/96/498252396.db2.gz VKDFXBRCCOFZOG-CVEARBPZSA-N 2 0 357.464 3.252 20 0 FGADRP COCCOCc1ccc(C[NH2+]Cc2ccc(F)c(C[NH+](C)C)c2)cc1 ZINC000289701918 498255002 /nfs/dbraw/zinc/25/50/02/498255002.db2.gz KSHUBTLZGFOSAQ-UHFFFAOYSA-N 2 0 360.473 3.340 20 0 FGADRP Cc1ccc([C@@H](CNC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)[NH+]2CCCC2)cc1 ZINC000296966948 498270156 /nfs/dbraw/zinc/27/01/56/498270156.db2.gz IHGCKVMUIPQUMF-OTYNDTSQSA-N 2 0 370.541 3.056 20 0 FGADRP CC1CCC2(CC1)OC[C@H](C[NH2+]C1CCN(CCC(F)(F)F)CC1)O2 ZINC000360634477 498291979 /nfs/dbraw/zinc/29/19/79/498291979.db2.gz DQXYHLDAPNWEKH-WIHSUSGWSA-N 2 0 364.452 3.315 20 0 FGADRP C[NH+](C)Cc1cc(CNc2ncnc3c2cnn3C(C)(C)C)ccc1F ZINC000301878210 498307877 /nfs/dbraw/zinc/30/78/77/498307877.db2.gz JHSLYDQISXQEEB-UHFFFAOYSA-N 2 0 356.449 3.394 20 0 FGADRP C[C@H]([NH2+]CC1CCC2(CC1)OCCO2)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000365204409 498350383 /nfs/dbraw/zinc/35/03/83/498350383.db2.gz QGVUVHCIPMVWSW-RXVVDRJESA-N 2 0 358.526 3.420 20 0 FGADRP C[C@@H](NC(=O)[C@H](C)[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)c1ccc2ccccc2c1 ZINC000569811163 506021611 /nfs/dbraw/zinc/02/16/11/506021611.db2.gz NUVDQCDXAHRXCR-XQTRSNPVSA-N 2 0 365.521 3.337 20 0 FGADRP COc1ccc([C@@H]2CCCC[C@@H]2[NH2+][C@@H](C)CN2CC[NH+](C)CC2)cc1F ZINC000361245269 498365431 /nfs/dbraw/zinc/36/54/31/498365431.db2.gz FDECPGYBXNPOPU-QRFRQXIXSA-N 2 0 363.521 3.086 20 0 FGADRP COc1ccc(CC[C@H](C)[NH2+]Cc2ccc(-n3ccnc3)nc2)cc1O ZINC000365244399 498371489 /nfs/dbraw/zinc/37/14/89/498371489.db2.gz DMHPASJNVFPQTJ-HNNXBMFYSA-N 2 0 352.438 3.092 20 0 FGADRP O[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]C/C=C/c2ccc(F)c(F)c2)CC1 ZINC000286345681 498371495 /nfs/dbraw/zinc/37/14/95/498371495.db2.gz FHVLDCVZMSHGLT-LOKQZNEXSA-N 2 0 350.453 3.336 20 0 FGADRP C[C@H]1CCCC[N@@H+]1CCC(=O)N(C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000575885421 506025700 /nfs/dbraw/zinc/02/57/00/506025700.db2.gz NRZDQFBKKIODQE-FPOVZHCZSA-N 2 0 357.542 3.231 20 0 FGADRP C[C@H](C(=O)NC1CC[NH+](Cc2ccsc2)CC1)[C@H]([NH3+])c1ccccc1 ZINC000361723458 498423418 /nfs/dbraw/zinc/42/34/18/498423418.db2.gz QCPZNHJCUUUMAA-KXBFYZLASA-N 2 0 357.523 3.165 20 0 FGADRP CSCc1cnc(C[NH2+]CCc2ccc(OCC[NH+](C)C)cc2)s1 ZINC000293628072 498434093 /nfs/dbraw/zinc/43/40/93/498434093.db2.gz QVWNJLWRQURKOX-UHFFFAOYSA-N 2 0 365.568 3.279 20 0 FGADRP C[C@@H]1C[N@@H+](CCCC[NH2+]Cc2ccc(-c3cnn(C)c3)s2)C[C@H](C)O1 ZINC000282252002 498438846 /nfs/dbraw/zinc/43/88/46/498438846.db2.gz MWPXVQUEFMDTKQ-IYBDPMFKSA-N 2 0 362.543 3.128 20 0 FGADRP Cc1c[nH+]ccc1N1CCC(C(=O)N(CC[NH+](C)C)c2ccccc2)CC1 ZINC000361921392 498440136 /nfs/dbraw/zinc/44/01/36/498440136.db2.gz HLCAHSKONWGZOX-UHFFFAOYSA-N 2 0 366.509 3.201 20 0 FGADRP CC(C)N1CC[C@H](NC(=O)[C@H](C)[NH2+]C2CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000572718611 506035682 /nfs/dbraw/zinc/03/56/82/506035682.db2.gz MOCCKQHQUMEGDD-IGNZVWTISA-N 2 0 367.896 3.260 20 0 FGADRP C[C@H]1CN(C(=O)c2oc3ccccc3c2C[NH+](C)C)CC[N@@H+](C2CCC2)C1 ZINC000293721653 498466007 /nfs/dbraw/zinc/46/60/07/498466007.db2.gz POIZATHJIJIXNB-MRXNPFEDSA-N 2 0 369.509 3.441 20 0 FGADRP C[NH+](C)[C@@H]1CCC[C@H](Nc2cc(N[C@@H]3CCC[C@H]([NH+](C)C)C3)ncn2)C1 ZINC000302304603 498467224 /nfs/dbraw/zinc/46/72/24/498467224.db2.gz QZEWFDCYLIAWOK-FZDBZEDMSA-N 2 0 360.550 3.046 20 0 FGADRP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N(C)[C@H](c2ncc[nH]2)c2ccccc2)C1 ZINC000297526651 498482209 /nfs/dbraw/zinc/48/22/09/498482209.db2.gz DDNCJSDWNLOOET-HKUYNNGSSA-N 2 0 369.513 3.261 20 0 FGADRP Fc1ccc(-n2ccc(CC[NH2+]C3CCN(c4cc[nH+]cc4)CC3)n2)cc1 ZINC000297615911 498512920 /nfs/dbraw/zinc/51/29/20/498512920.db2.gz KZYSZWWEFSCSTC-UHFFFAOYSA-N 2 0 365.456 3.208 20 0 FGADRP O[C@H](C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)COc1ccccc1 ZINC000575982684 506048376 /nfs/dbraw/zinc/04/83/76/506048376.db2.gz WTPHULGTZYKEEA-CIAFKFPVSA-N 2 0 366.505 3.212 20 0 FGADRP CCC1(CNC(=O)N[C@@H]2CC[NH2+][C@@H](C)C2)CC[NH+](Cc2ccccc2)CC1 ZINC000581716045 506051717 /nfs/dbraw/zinc/05/17/17/506051717.db2.gz YFBWDMWGSWLGQB-AZUAARDMSA-N 2 0 372.557 3.119 20 0 FGADRP Cn1cncc1CCC[N@@H+]1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000575999514 506052617 /nfs/dbraw/zinc/05/26/17/506052617.db2.gz ILMJSJFFATYUDV-INIZCTEOSA-N 2 0 369.444 3.421 20 0 FGADRP COC[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1cccc(Cl)c1 ZINC000290554609 498595784 /nfs/dbraw/zinc/59/57/84/498595784.db2.gz DGEUSWLXWVBKIC-NHCUHLMSSA-N 2 0 374.912 3.384 20 0 FGADRP C[C@@H]([NH2+]CC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)C(C)(C)n1cncn1 ZINC000576032390 506060620 /nfs/dbraw/zinc/06/06/20/506060620.db2.gz JRXRXFJVAAPRGO-QWFCFKBJSA-N 2 0 355.530 3.292 20 0 FGADRP CO[C@H](c1ccccc1)[C@H](C)[NH2+][C@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000569994366 506064260 /nfs/dbraw/zinc/06/42/60/506064260.db2.gz ZDWQFFQIELBURS-PMOQBDJRSA-N 2 0 367.537 3.341 20 0 FGADRP CN(C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)[C@@H](c1ncc[nH]1)c1ccccc1 ZINC000297980229 498627731 /nfs/dbraw/zinc/62/77/31/498627731.db2.gz OHLWSVNERGSFGN-XVLXNVKGSA-N 2 0 367.497 3.156 20 0 FGADRP C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000298046139 498648158 /nfs/dbraw/zinc/64/81/58/498648158.db2.gz IBFPQUSDUUMSQR-VQIMIIECSA-N 2 0 374.529 3.286 20 0 FGADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000303462661 498678430 /nfs/dbraw/zinc/67/84/30/498678430.db2.gz LVIDNEIKQBCBCA-UXHICEINSA-N 2 0 364.578 3.158 20 0 FGADRP C[C@@H](CNC(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1)[NH+](C)Cc1ccccc1 ZINC000303503211 498682806 /nfs/dbraw/zinc/68/28/06/498682806.db2.gz VJTWWJKDKCWUQV-ZCNNSNEGSA-N 2 0 374.573 3.174 20 0 FGADRP C[NH+]1CCC(CC(=O)N2CCC[C@H]2[C@@H]2CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000365879668 498684968 /nfs/dbraw/zinc/68/49/68/498684968.db2.gz KIPWNAQXKCNVJI-VXKWHMMOSA-N 2 0 369.553 3.374 20 0 FGADRP COc1ccccc1N1CC[C@@H](C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000298223321 498700210 /nfs/dbraw/zinc/70/02/10/498700210.db2.gz AOVLHQMHCYDZIQ-SFHVURJKSA-N 2 0 366.509 3.175 20 0 FGADRP Cc1cccc(N2CC[NH+](CCCC[NH2+]C3CCN(C4CC4)CC3)CC2)c1 ZINC000298229984 498703510 /nfs/dbraw/zinc/70/35/10/498703510.db2.gz BFUBMLICPANVRP-UHFFFAOYSA-N 2 0 370.585 3.114 20 0 FGADRP C[C@@H]1c2ccccc2O[C@@H]1C[NH2+][C@@H]1CCN(Cc2ccccn2)C[C@H]1C ZINC000366018203 498735884 /nfs/dbraw/zinc/73/58/84/498735884.db2.gz SLKITSPPJWVFJA-ZFNVSSEQSA-N 2 0 351.494 3.446 20 0 FGADRP CC1CC[NH+](CCc2cccc(NC(=O)N[C@@H]3CC[C@@H](C[NH3+])C3)c2)CC1 ZINC000570061824 506081965 /nfs/dbraw/zinc/08/19/65/506081965.db2.gz JANIABFNAZQVOW-UYAOXDASSA-N 2 0 358.530 3.210 20 0 FGADRP FC(F)Cn1cc(CN2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)cn1 ZINC000294641020 498758447 /nfs/dbraw/zinc/75/84/47/498758447.db2.gz KGINUYIMEQVUML-FQEVSTJZSA-N 2 0 360.452 3.246 20 0 FGADRP CC[NH+](CC)CCOc1ccc(C[NH2+]Cc2cn(C)nc2C(F)F)cc1 ZINC000291015783 498758747 /nfs/dbraw/zinc/75/87/47/498758747.db2.gz AICZXJSPSNFPFT-UHFFFAOYSA-N 2 0 366.456 3.368 20 0 FGADRP CC[NH+]1CCC(C[NH2+]Cc2ccc(C(=O)OC)cc2Br)CC1 ZINC000318077152 498795461 /nfs/dbraw/zinc/79/54/61/498795461.db2.gz ITJGMQFBGSIDIE-UHFFFAOYSA-N 2 0 369.303 3.057 20 0 FGADRP Cn1ccnc1[C@@H](NC1CCN(c2cc[nH+]cc2)CC1)c1ccccc1F ZINC000298524108 498801588 /nfs/dbraw/zinc/80/15/88/498801588.db2.gz RPKBNTLNPNSNLO-FQEVSTJZSA-N 2 0 365.456 3.302 20 0 FGADRP C[C@H]([NH2+]C[C@@H]1CCC2(CCOCC2)[C@@H]1O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000283161792 498803274 /nfs/dbraw/zinc/80/32/74/498803274.db2.gz IQUMQQPIBBAERP-VXSCBNMQSA-N 2 0 372.553 3.054 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2cccc(-n3ccnn3)c2)[C@H](C)C1 ZINC000287618747 498816257 /nfs/dbraw/zinc/81/62/57/498816257.db2.gz JRJIIYSERAWAJR-OPYAIIAOSA-N 2 0 371.529 3.055 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2cccc(-n3ccnn3)c2)[C@H](C)C1 ZINC000287618743 498816407 /nfs/dbraw/zinc/81/64/07/498816407.db2.gz JRJIIYSERAWAJR-LQWHRVPQSA-N 2 0 371.529 3.055 20 0 FGADRP c1ccc([C@H](CN2CCCC2)[NH2+]C2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000298568164 498816696 /nfs/dbraw/zinc/81/66/96/498816696.db2.gz WUEYXFUAXQCHGR-QFIPXVFZSA-N 2 0 350.510 3.477 20 0 FGADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCCCCNC(=O)OCc1ccccc1 ZINC000287643930 498823375 /nfs/dbraw/zinc/82/33/75/498823375.db2.gz USMNTJQGVLKRIV-HBFSDRIKSA-N 2 0 361.530 3.401 20 0 FGADRP CC(C)c1ccc(NC(=O)CN(C)C2CC[NH+](C3CCOCC3)CC2)cc1 ZINC000363453204 498828616 /nfs/dbraw/zinc/82/86/16/498828616.db2.gz SLOYPJVUIBRGJQ-UHFFFAOYSA-N 2 0 373.541 3.324 20 0 FGADRP Cn1ccnc1[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2-n2cncn2)C1 ZINC000366247249 498838915 /nfs/dbraw/zinc/83/89/15/498838915.db2.gz GBKOVBFRVQWVNY-OAHLLOKOSA-N 2 0 356.861 3.034 20 0 FGADRP OC[C@@H]1CCN(Cc2ccccc2)C[C@@H]1[NH2+]C/C=C/c1ccc(F)cc1 ZINC000573019820 506100531 /nfs/dbraw/zinc/10/05/31/506100531.db2.gz MVMXCYUEFLKYJL-WLNXGJEZSA-N 2 0 354.469 3.312 20 0 FGADRP CC[C@@H]([NH2+]Cc1c(C)nn(C)c1N1CCC[N@H+](C)CC1)c1cccs1 ZINC000366295085 498863131 /nfs/dbraw/zinc/86/31/31/498863131.db2.gz JCDLAXLRXZZXIA-QGZVFWFLSA-N 2 0 361.559 3.173 20 0 FGADRP CN1CC[NH+](CC2(C)CC[NH+](Cc3cccc(C(F)F)c3)CC2)CC1 ZINC000366339381 498880328 /nfs/dbraw/zinc/88/03/28/498880328.db2.gz BPSRCOAZBXHIGE-UHFFFAOYSA-N 2 0 351.485 3.474 20 0 FGADRP O=C([C@@H]1CCCCC[NH2+]1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000581944286 506095983 /nfs/dbraw/zinc/09/59/83/506095983.db2.gz BEMYCGZYFIXXSF-PCCBWWKXSA-N 2 0 355.526 3.032 20 0 FGADRP C[C@@H]([NH2+]CCc1nc2ccccc2c(=O)[nH]1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000333129310 498908475 /nfs/dbraw/zinc/90/84/75/498908475.db2.gz JJSOIEUPVDYPQE-HZPDHXFCSA-N 2 0 354.498 3.121 20 0 FGADRP CN1CCC([NH+]2CCC(CC[NH2+]Cc3ccc(F)c(F)c3)CC2)CC1 ZINC000363660640 498929168 /nfs/dbraw/zinc/92/91/68/498929168.db2.gz GMAXOTJEFNZAQN-UHFFFAOYSA-N 2 0 351.485 3.251 20 0 FGADRP C[NH+]1CCC2(CC1)C[C@H]([NH2+]C[C@H]1CCC[C@@H](CO)C1)c1ccccc1O2 ZINC000366446152 498931496 /nfs/dbraw/zinc/93/14/96/498931496.db2.gz ZUOXIRIXMIUYHE-NSHGMRRFSA-N 2 0 358.526 3.363 20 0 FGADRP FC(F)(F)C1CC[NH+](C2CC(Nc3cc(N4CCCC4)ncn3)C2)CC1 ZINC000366504218 498956099 /nfs/dbraw/zinc/95/60/99/498956099.db2.gz GUCXVQLSXLQGFG-UHFFFAOYSA-N 2 0 369.435 3.294 20 0 FGADRP C[N@@H+]1CC[C@]2(CC[NH+](CC[C@H]3CCCN(C(=O)OC(C)(C)C)C3)C2)C1 ZINC000366532917 498967810 /nfs/dbraw/zinc/96/78/10/498967810.db2.gz GCRILSJTDRJVIX-XLIONFOSSA-N 2 0 351.535 3.051 20 0 FGADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+]Cc1cnc(-c2ccc(Cl)cc2)s1 ZINC000283797136 498985096 /nfs/dbraw/zinc/98/50/96/498985096.db2.gz BAUOTRFFPPJNLA-AWEZNQCLSA-N 2 0 364.946 3.189 20 0 FGADRP C[C@H](c1ccccc1)N1CC[C@@H]([NH2+]C2CCN(CC(F)(F)F)CC2)C1 ZINC000363810012 499004459 /nfs/dbraw/zinc/00/44/59/499004459.db2.gz CRPXUUKYYGQSAO-CRAIPNDOSA-N 2 0 355.448 3.438 20 0 FGADRP C[NH+]1CCC(N2CC[C@H]([NH2+][C@@H](c3ccc(F)cc3)c3ccccn3)C2)CC1 ZINC000363832661 499016110 /nfs/dbraw/zinc/01/61/10/499016110.db2.gz XQZLFMXOKDFFDI-UGKGYDQZSA-N 2 0 368.500 3.068 20 0 FGADRP CN(c1ccccc1CNCc1noc2c1CCCC2)C1CC[NH+](C)CC1 ZINC000288428900 499022360 /nfs/dbraw/zinc/02/23/60/499022360.db2.gz KRLOHLCKINROHZ-UHFFFAOYSA-N 2 0 368.525 3.374 20 0 FGADRP C[NH+]1CCC(Oc2ccc(C[NH2+][C@@H]3[C@@H]4CCO[C@@H]4C34CCC4)cc2)CC1 ZINC000284351987 499093916 /nfs/dbraw/zinc/09/39/16/499093916.db2.gz MIDVCUWNVNJQJQ-HBMCJLEFSA-N 2 0 356.510 3.207 20 0 FGADRP C[C@H]1CN(Cc2cccc(C[NH2+]Cc3cnc(C(C)(C)C)nc3)c2)CCO1 ZINC000284424821 499105567 /nfs/dbraw/zinc/10/55/67/499105567.db2.gz RNBLDQPJLAYFJY-KRWDZBQOSA-N 2 0 368.525 3.285 20 0 FGADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+][C@H]2CCC(=O)N[C@H]2C2CC2)CC1 ZINC000366943109 499119563 /nfs/dbraw/zinc/11/95/63/499119563.db2.gz JMBMRURMROHAEI-IRIHCNEDSA-N 2 0 355.526 3.076 20 0 FGADRP C[C@H]1C[C@@H](N(C)C(=O)NC2CC[NH+](CC3CCCCC3)CC2)CC[N@@H+]1C ZINC000369871829 499142532 /nfs/dbraw/zinc/14/25/32/499142532.db2.gz JLHUIVJAXMSZCW-PXNSSMCTSA-N 2 0 364.578 3.155 20 0 FGADRP C[C@@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)c1cccc(Br)c1 ZINC000369882886 499144675 /nfs/dbraw/zinc/14/46/75/499144675.db2.gz NYKFUTGPHAHLDB-PBHICJAKSA-N 2 0 366.347 3.268 20 0 FGADRP C[C@@H](NC(=O)NCc1ccc(C[NH+](C)C)cc1)[C@H](c1ccccc1)[NH+](C)C ZINC000576333353 506133085 /nfs/dbraw/zinc/13/30/85/506133085.db2.gz CWVWUBUZSXIUOR-DYESRHJHSA-N 2 0 368.525 3.239 20 0 FGADRP C[C@@H](C(=O)Nc1c(F)cccc1F)N1CCCC2(CC[NH+](C)CC2)C1 ZINC000367201260 499160322 /nfs/dbraw/zinc/16/03/22/499160322.db2.gz RWEKGLMYVWNJJM-AWEZNQCLSA-N 2 0 351.441 3.100 20 0 FGADRP C[C@H]1C[NH+](CCCC[NH2+]Cc2cccc(-c3cnn(C)c3)c2)C[C@H](C)O1 ZINC000372841103 499183182 /nfs/dbraw/zinc/18/31/82/499183182.db2.gz WXPPNJGKVJPYRD-ROUUACIJSA-N 2 0 356.514 3.066 20 0 FGADRP CC(C)CC[NH+]1CCC(CNC(=O)N2CCCC23CC[NH+](C)CC3)CC1 ZINC000367351731 499186634 /nfs/dbraw/zinc/18/66/34/499186634.db2.gz OLWPOUCYVNXMEI-UHFFFAOYSA-N 2 0 364.578 3.014 20 0 FGADRP CCn1ccnc1CN(C(=O)C(C)=C1CCCC1)[C@H]1CC12CC[NH2+]CC2 ZINC000370161341 499190182 /nfs/dbraw/zinc/19/01/82/499190182.db2.gz LDWHNAWRRNMVQA-SFHVURJKSA-N 2 0 356.514 3.264 20 0 FGADRP C[N@H+](CC[C@H]1CCC[NH+]1C)CC1CCN(C(=O)Nc2ccccc2)CC1 ZINC000367379862 499191789 /nfs/dbraw/zinc/19/17/89/499191789.db2.gz NIYCUHSDUIWPIZ-HXUWFJFHSA-N 2 0 358.530 3.347 20 0 FGADRP Cc1cc2cc(NC(=O)N3CCN(C4CC[NH+](C)CC4)[C@H](C)C3)ccc2[nH]1 ZINC000367546238 499210831 /nfs/dbraw/zinc/21/08/31/499210831.db2.gz FGGJXZXLHXACSK-MRXNPFEDSA-N 2 0 369.513 3.109 20 0 FGADRP C[N@@H+]1CC[C@H]([NH2+]Cc2cccc(C(=O)NCc3ccco3)c2)[C@H]2CCC[C@@H]21 ZINC000367610071 499217049 /nfs/dbraw/zinc/21/70/49/499217049.db2.gz ZXMGIMBIDNWAHJ-HKBOAZHASA-N 2 0 367.493 3.172 20 0 FGADRP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(NC(=O)c3ccco3)cc2)[C@H]2CCC[C@H]21 ZINC000367617744 499218367 /nfs/dbraw/zinc/21/83/67/499218367.db2.gz RFOQIXKTHNMDRD-CEXWTWQISA-N 2 0 353.466 3.494 20 0 FGADRP CC[NH+](CC)Cc1cccc(C[NH2+]Cc2cnc(-c3cnn(C)c3)nc2)c1 ZINC000370485923 499224924 /nfs/dbraw/zinc/22/49/24/499224924.db2.gz WGMAVEBZXUTTMC-UHFFFAOYSA-N 2 0 364.497 3.009 20 0 FGADRP C[NH+](C)C1CCN(c2ccc(NC(=O)[C@@H]3C[C@H]4CCCC[N@@H+]4C3)cc2)CC1 ZINC000370586046 499233923 /nfs/dbraw/zinc/23/39/23/499233923.db2.gz ZXAGMCGYTNFKJK-DYESRHJHSA-N 2 0 370.541 3.030 20 0 FGADRP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000370608398 499235333 /nfs/dbraw/zinc/23/53/33/499235333.db2.gz LJEPSQGAGFUQEI-CWKRKGSWSA-N 2 0 371.569 3.303 20 0 FGADRP COc1cc([C@H](C)[NH2+][C@H]2CCN(C3CC[NH+](C)CC3)C2)ccc1SC ZINC000370635255 499238038 /nfs/dbraw/zinc/23/80/38/499238038.db2.gz OOPXFIVQIJLXNA-RDJZCZTQSA-N 2 0 363.571 3.236 20 0 FGADRP C[C@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccc(OC(F)(F)F)cc1 ZINC000370638277 499238533 /nfs/dbraw/zinc/23/85/33/499238533.db2.gz XFBSRQBWVQFGGK-GOEBONIOSA-N 2 0 371.447 3.404 20 0 FGADRP CC(C)[NH+]1CCN(C2CC[NH+](CCSc3ccc(F)cc3)CC2)CC1 ZINC000370691525 499244955 /nfs/dbraw/zinc/24/49/55/499244955.db2.gz TWKQOHKKKNXLQV-UHFFFAOYSA-N 2 0 365.562 3.408 20 0 FGADRP CN1CC[NH+](CC2CC[NH+](Cc3ccc(CSC(F)F)o3)CC2)CC1 ZINC000368040070 499258585 /nfs/dbraw/zinc/25/85/85/499258585.db2.gz HQEKRBYLKOXIIW-UHFFFAOYSA-N 2 0 373.513 3.195 20 0 FGADRP COc1ccc2c(c1)OCCC[C@@H]2NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000368212642 499274428 /nfs/dbraw/zinc/27/44/28/499274428.db2.gz PHBBSWLIHGPGIX-ACRUOGEOSA-N 2 0 374.525 3.266 20 0 FGADRP C[C@H](O)c1cnc(C[NH2+]CC2CC[NH+](Cc3cccs3)CC2)s1 ZINC000368291427 499282376 /nfs/dbraw/zinc/28/23/76/499282376.db2.gz ORNQRPMUEJIFHK-ZDUSSCGKSA-N 2 0 351.541 3.260 20 0 FGADRP C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@H]1NCc1coc(-c2ccc(F)cc2)n1 ZINC000368416543 499293664 /nfs/dbraw/zinc/29/36/64/499293664.db2.gz LCVJIPYZYFALIL-CDHQVMDDSA-N 2 0 373.472 3.460 20 0 FGADRP COc1cc(C[NH+]2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)ccc1OC(C)C ZINC000576368682 506141710 /nfs/dbraw/zinc/14/17/10/506141710.db2.gz QMSBYEKYGJDBAK-WIYYLYMNSA-N 2 0 362.514 3.201 20 0 FGADRP O=C([C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000371242693 499301708 /nfs/dbraw/zinc/30/17/08/499301708.db2.gz HKILLKJBQWLIJE-TZIWHRDSSA-N 2 0 373.516 3.028 20 0 FGADRP C[C@H](C[C@H](O)c1ccc(F)cc1)[NH2+][C@@H]1CCN(C[C@H]2CCCO2)C[C@H]1C ZINC000371258323 499303268 /nfs/dbraw/zinc/30/32/68/499303268.db2.gz NGSXPUJEKBKHJA-VQDSBOJYSA-N 2 0 364.505 3.117 20 0 FGADRP C[N@H+](Cc1ccc(Br)s1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000371259572 499303504 /nfs/dbraw/zinc/30/35/04/499303504.db2.gz ULEJOACKPOBJIF-CQSZACIVSA-N 2 0 372.376 3.111 20 0 FGADRP [NH3+]Cc1ccc(C(=O)N2CCC[C@H]2[C@@H]2CCC[N@@H+]2Cc2ccccc2)cc1 ZINC000371271571 499304554 /nfs/dbraw/zinc/30/45/54/499304554.db2.gz SEWOJSJDRUXSBC-VXKWHMMOSA-N 2 0 363.505 3.415 20 0 FGADRP Cc1cc(C[NH2+]CCC2CC[NH+](C3CCN(C)CC3)CC2)cc(C)c1O ZINC000368586827 499310602 /nfs/dbraw/zinc/31/06/02/499310602.db2.gz ZYKAOXPLENWZKG-UHFFFAOYSA-N 2 0 359.558 3.295 20 0 FGADRP C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000368609002 499313444 /nfs/dbraw/zinc/31/34/44/499313444.db2.gz UNECOVSMSWGPFG-DISONHOPSA-N 2 0 351.535 3.094 20 0 FGADRP C(=C/C[NH+]1CCC([C@@H]2CCOC2)CC1)\C[NH+]1CCC([C@H]2CCOC2)CC1 ZINC000371742212 499360581 /nfs/dbraw/zinc/36/05/81/499360581.db2.gz CQEKUYHXDWZNHK-XFDDJKQHSA-N 2 0 362.558 3.040 20 0 FGADRP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccccc3C(F)(F)F)C2)CC1 ZINC000369397770 499399388 /nfs/dbraw/zinc/39/93/88/499399388.db2.gz JIAAGFUYIRJGDZ-QGZVFWFLSA-N 2 0 355.448 3.306 20 0 FGADRP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)N2CC[C@H]([NH+]3CCCC3)C2)CC1 ZINC000369449702 499404545 /nfs/dbraw/zinc/40/45/45/499404545.db2.gz XPSITIRZRNLADC-RXVVDRJESA-N 2 0 370.541 3.092 20 0 FGADRP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](C[C@H]2CCOc3ccccc32)CC1 ZINC000372410059 499431723 /nfs/dbraw/zinc/43/17/23/499431723.db2.gz OKDMWWVSXOYRIX-VAMGGRTRSA-N 2 0 357.542 3.043 20 0 FGADRP c1ccc(COC2CC([NH2+]C3CCN(Cc4ccccn4)CC3)C2)cc1 ZINC000373321085 499463377 /nfs/dbraw/zinc/46/33/77/499463377.db2.gz WUZDBDZKWOLKHL-UHFFFAOYSA-N 2 0 351.494 3.383 20 0 FGADRP COCCOc1ccc([C@@H](C)[NH2+]C[C@H]2CCCn3cc(C)nc32)cc1OC ZINC000378184016 499488212 /nfs/dbraw/zinc/48/82/12/499488212.db2.gz NDGHPJMRMXECNQ-SJLPKXTDSA-N 2 0 373.497 3.454 20 0 FGADRP Cn1ncc2c1CCC[C@H]2[NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000375310290 499505989 /nfs/dbraw/zinc/50/59/89/499505989.db2.gz PXFOWTLIOLOWOO-HXUWFJFHSA-N 2 0 354.498 3.060 20 0 FGADRP C[N@H+](C[C@H]1CC12CCN(C(=O)[C@@H]1CC[NH+](C3CCCCC3)C1)CC2)C1CC1 ZINC000378354464 499506080 /nfs/dbraw/zinc/50/60/80/499506080.db2.gz JVUHVVKOAIJRTD-RTBURBONSA-N 2 0 373.585 3.364 20 0 FGADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC2(C1)CCN(C(=O)OC(C)(C)C)CC2 ZINC000378398427 499512019 /nfs/dbraw/zinc/51/20/19/499512019.db2.gz RVIQSZCEILWOBS-KRWDZBQOSA-N 2 0 351.535 3.194 20 0 FGADRP COC(=O)c1cc(C[NH2+][C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)n(C)c1C ZINC000380460985 499543763 /nfs/dbraw/zinc/54/37/63/499543763.db2.gz PDHDXLZUJRPUNR-APWZRJJASA-N 2 0 369.509 3.120 20 0 FGADRP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000382683137 499546267 /nfs/dbraw/zinc/54/62/67/499546267.db2.gz DCWPGLQAMCKKRB-RBBKRZOGSA-N 2 0 365.521 3.447 20 0 FGADRP O[C@@H](C[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1)COc1ccc(Cl)cc1 ZINC000388330961 499550535 /nfs/dbraw/zinc/55/05/35/499550535.db2.gz RNEFQWAQLJCCAR-ICSRJNTNSA-N 2 0 374.912 3.191 20 0 FGADRP CN(C)c1ccc(N2CCC([NH2+][C@@H]3CC[N@H+](C)[C@H]4CCC[C@H]43)CC2)cc1 ZINC000375802017 499557098 /nfs/dbraw/zinc/55/70/98/499557098.db2.gz PVLHPFBZZGTOHO-BDTNDASRSA-N 2 0 356.558 3.184 20 0 FGADRP COc1ccc([C@H](C)[NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000397484656 499564060 /nfs/dbraw/zinc/56/40/60/499564060.db2.gz AJWTZHNJLIKOHA-SFHVURJKSA-N 2 0 354.494 3.373 20 0 FGADRP C[C@@H]([NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1)c1ccc2c(c1)OCO2 ZINC000397554489 499564204 /nfs/dbraw/zinc/56/42/04/499564204.db2.gz KJRGLZKMDRJLIK-QGZVFWFLSA-N 2 0 368.477 3.093 20 0 FGADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)CC1(C[NH3+])CCCCC1 ZINC000398062418 499566135 /nfs/dbraw/zinc/56/61/35/499566135.db2.gz MUBRXCRTUPZJKK-ICSRJNTNSA-N 2 0 357.542 3.313 20 0 FGADRP [NH2+]=C(NCc1ccc(OC(F)(F)F)cc1)NC1CC([NH+]2CCCCC2)C1 ZINC000376019463 499576637 /nfs/dbraw/zinc/57/66/37/499576637.db2.gz PMAZXNJPQKJOFO-UHFFFAOYSA-N 2 0 370.419 3.216 20 0 FGADRP C[NH+](C)CCN(CCCc1ccccc1)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC000409667309 499613192 /nfs/dbraw/zinc/61/31/92/499613192.db2.gz RPZSHDMQQJYVSQ-UHFFFAOYSA-N 2 0 367.537 3.385 20 0 FGADRP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1NCc1ccc(OC(C)(C)C)nc1 ZINC000376823561 499637803 /nfs/dbraw/zinc/63/78/03/499637803.db2.gz PUXQQZJZTKUBDO-NEWSRXKRSA-N 2 0 361.530 3.238 20 0 FGADRP CN(C(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000376832998 499638808 /nfs/dbraw/zinc/63/88/08/499638808.db2.gz YAKCNTYKHMRMGC-SWDXFRIISA-N 2 0 374.529 3.073 20 0 FGADRP CC(=O)NC1CCC([NH2+]CC2CC[NH+](Cc3ccccc3F)CC2)CC1 ZINC000376907576 499645496 /nfs/dbraw/zinc/64/54/96/499645496.db2.gz LQXNTFWDERAUOA-UHFFFAOYSA-N 2 0 361.505 3.075 20 0 FGADRP C[C@@H]1CN(C2CC[NH+](Cc3cccc(C[NH+]4CCCCC4)c3)CC2)CCO1 ZINC000411194433 499709421 /nfs/dbraw/zinc/70/94/21/499709421.db2.gz UOSBBIXIRSZRFY-HXUWFJFHSA-N 2 0 371.569 3.358 20 0 FGADRP C[C@@H](c1ccc2c(c1)OCCCO2)[N@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000377628122 499712465 /nfs/dbraw/zinc/71/24/65/499712465.db2.gz OAJJHLQZHAHPRN-PXNSSMCTSA-N 2 0 373.541 3.009 20 0 FGADRP COc1ccc([C@@H](C)C[NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)cc1 ZINC000377714757 499724323 /nfs/dbraw/zinc/72/43/23/499724323.db2.gz IUCIJWNOMXPOST-YBVXAUJNSA-N 2 0 357.542 3.042 20 0 FGADRP C[C@@H](CC[NH+]1CC[C@H]([C@@H]2CCOC2)C1)CC[N@@H+]1CC[C@H]([C@H]2CCOC2)C1 ZINC000411399594 499734781 /nfs/dbraw/zinc/73/47/81/499734781.db2.gz RNTWLEGCNKTJKD-KGWSWXIGSA-N 2 0 364.574 3.120 20 0 FGADRP C[NH+](C)Cc1cccc(C(=O)N2C[C@@H]3C[N@H+](C)[C@@H](c4ccccc4)[C@H]3C2)c1 ZINC000377883689 499745296 /nfs/dbraw/zinc/74/52/96/499745296.db2.gz KOKXOXAOGCVYNJ-FKBYEOEOSA-N 2 0 363.505 3.123 20 0 FGADRP O=C1CCC[C@H]1[C@H]1COCCN1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411544405 499752986 /nfs/dbraw/zinc/75/29/86/499752986.db2.gz NNCCRZFXXYULLE-LEWJYISDSA-N 2 0 356.510 3.243 20 0 FGADRP C[NH+]1CCC(C[NH2+][C@@H](CC2CCC2)c2ccccc2)(N2CCOCC2)CC1 ZINC000414193402 499767607 /nfs/dbraw/zinc/76/76/07/499767607.db2.gz MSIKDEYOHTWJQO-QFIPXVFZSA-N 2 0 371.569 3.304 20 0 FGADRP CC(C)Cc1cccc([C@@H](C)[NH2+]CC2(N3CCOCC3)CC[NH+](C)CC2)c1 ZINC000414206714 499768468 /nfs/dbraw/zinc/76/84/68/499768468.db2.gz YWUZIKXROPCNPR-HXUWFJFHSA-N 2 0 373.585 3.332 20 0 FGADRP CC1CC[NH+](CCC[C@H]([NH2+]C[C@H]2CNC(=O)C2)c2ccc(F)cc2)CC1 ZINC000414215192 499768952 /nfs/dbraw/zinc/76/89/52/499768952.db2.gz ZWVGELFYAQPAMT-PXNSSMCTSA-N 2 0 361.505 3.105 20 0 FGADRP C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)[C@H](C)C1 ZINC000414344967 499779495 /nfs/dbraw/zinc/77/94/95/499779495.db2.gz SCFKKKRAVOXDJI-CBGDNZLLSA-N 2 0 357.542 3.298 20 0 FGADRP C[C@@H]1CC[C@H]([NH2+]Cc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)[C@H](C)C1 ZINC000414344971 499779658 /nfs/dbraw/zinc/77/96/58/499779658.db2.gz SCFKKKRAVOXDJI-LZJOCLMNSA-N 2 0 357.542 3.298 20 0 FGADRP CC[C@H]([NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1)c1ccncc1 ZINC000414344950 499779691 /nfs/dbraw/zinc/77/96/91/499779691.db2.gz RZQPAZACUZMYKI-NRFANRHFSA-N 2 0 366.509 3.020 20 0 FGADRP Cc1cc(C[NH2+]C2CC[NH+]([C@H]3CCC[C@H]3O)CC2)ccc1C(F)(F)F ZINC000414383718 499784172 /nfs/dbraw/zinc/78/41/72/499784172.db2.gz UOEMAUJTBJMLRZ-ZWKOTPCHSA-N 2 0 356.432 3.481 20 0 FGADRP C[NH+](C)CCOc1ccc(NC(=O)Nc2cccc(C[NH+](C)C)c2)cc1F ZINC000414403314 499787547 /nfs/dbraw/zinc/78/75/47/499787547.db2.gz RGVWUSYNHFIOMF-UHFFFAOYSA-N 2 0 374.460 3.472 20 0 FGADRP C[C@H](CC[NH+]1CC[C@@H](O)CC(C)(C)C1)CC[N@@H+]1CC[C@H](O)CC(C)(C)C1 ZINC000411801665 499792248 /nfs/dbraw/zinc/79/22/48/499792248.db2.gz ZJNFBYVMKSFOAF-OWZKRDHZSA-N 2 0 368.606 3.369 20 0 FGADRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000411811876 499793379 /nfs/dbraw/zinc/79/33/79/499793379.db2.gz VNZNYJUKDSUCOY-UHFFFAOYSA-N 3 0 372.601 3.178 20 0 FGADRP CCc1cc(OC)ccc1C[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000414528878 499803540 /nfs/dbraw/zinc/80/35/40/499803540.db2.gz UTXCJEGXLUJMNP-UHFFFAOYSA-N 2 0 368.521 3.374 20 0 FGADRP OC1(C[NH2+]C/C=C\c2ccc(F)cc2)CC[NH+](Cc2ccccc2)CC1 ZINC000414546492 499806195 /nfs/dbraw/zinc/80/61/95/499806195.db2.gz GLINWSFDBSDSFG-DAXSKMNVSA-N 2 0 354.469 3.456 20 0 FGADRP Cc1cccc(C[NH2+]Cc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)c1F ZINC000414561024 499809594 /nfs/dbraw/zinc/80/95/94/499809594.db2.gz YGMLNRVPYNCHQF-UHFFFAOYSA-N 2 0 369.484 3.121 20 0 FGADRP CCC[NH+]1CCN(c2ccccc2C[NH+]2CCC(C[NH2+]CC)CC2)CC1 ZINC000414667696 499818863 /nfs/dbraw/zinc/81/88/63/499818863.db2.gz YMODCHSXPMFKQI-UHFFFAOYSA-N 3 0 358.574 3.040 20 0 FGADRP [NH3+]CC(=O)N1CCC[C@H](C[N@@H+]2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000414670380 499819242 /nfs/dbraw/zinc/81/92/42/499819242.db2.gz DCVLUWXHQHMWBH-CXAGYDPISA-N 2 0 370.324 3.328 20 0 FGADRP [NH3+]CC(=O)N1CCC[C@H](C[N@@H+]2CCCCC[C@@H]2/C=C/c2ccccc2)C1 ZINC000414715271 499822044 /nfs/dbraw/zinc/82/20/44/499822044.db2.gz WINLPDHVKFMZFG-DDVDASKDSA-N 2 0 355.526 3.142 20 0 FGADRP C[C@@H]1C[C@@H](C[NH+]2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)CC[NH2+]1 ZINC000414735144 499824906 /nfs/dbraw/zinc/82/49/06/499824906.db2.gz LXMJPAWZTDZKHF-KGLIPLIRSA-N 2 0 370.324 3.139 20 0 FGADRP Cc1cc(Br)ccc1NC(=O)C[N@@H+](C)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414737973 499824991 /nfs/dbraw/zinc/82/49/91/499824991.db2.gz OREXHOWDKIAFLB-UONOGXRCSA-N 2 0 368.319 3.016 20 0 FGADRP CC(=O)NCC[N@H+](Cc1ccc(Cl)cc1Cl)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414752689 499826803 /nfs/dbraw/zinc/82/68/03/499826803.db2.gz LBZBJRSCJIXIHF-UKRRQHHQSA-N 2 0 372.340 3.320 20 0 FGADRP C[C@@H]1c2c(Cl)cc(Cl)cc2CC[N@H+]1C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414760644 499827483 /nfs/dbraw/zinc/82/74/83/499827483.db2.gz YTVDWBWGFPFBDI-OLZOCXBDSA-N 2 0 370.324 3.110 20 0 FGADRP c1ccc(COc2cccc(C[N@@H+]3CCC[C@H]([C@H]4CC[NH2+]C4)C3)c2)nc1 ZINC000414774748 499829638 /nfs/dbraw/zinc/82/96/38/499829638.db2.gz FWMCRUZNMQABHF-PMACEKPBSA-N 2 0 351.494 3.482 20 0 FGADRP COc1c(Br)cccc1C[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414778558 499830119 /nfs/dbraw/zinc/83/01/19/499830119.db2.gz JBPFWDCOULUABX-ZIAGYGMSSA-N 2 0 353.304 3.279 20 0 FGADRP Fc1ccccc1CC(Cc1ccccc1F)[NH2+]CCCN1CC[NH2+]CC1 ZINC000414784843 499830956 /nfs/dbraw/zinc/83/09/56/499830956.db2.gz UBOCYQYTTYEIOC-UHFFFAOYSA-N 2 0 373.491 3.004 20 0 FGADRP C[NH+]1CCC([C@@H]2CCN(C(=O)c3cccc(C[NH+]4CCCCC4)c3)C2)CC1 ZINC000412212183 499834579 /nfs/dbraw/zinc/83/45/79/499834579.db2.gz HCLHYFUHLFBDOW-JOCHJYFZSA-N 2 0 369.553 3.476 20 0 FGADRP COc1cccc(-c2nn(C(C)(C)C)cc2C[NH2+]C[C@H]2CCC[NH2+]C2)c1 ZINC000414822238 499834751 /nfs/dbraw/zinc/83/47/51/499834751.db2.gz CLHNBLKZFVSPKR-INIZCTEOSA-N 2 0 356.514 3.403 20 0 FGADRP C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000414839217 499836181 /nfs/dbraw/zinc/83/61/81/499836181.db2.gz LYVYZBGSEPILSO-KGLIPLIRSA-N 2 0 368.319 3.146 20 0 FGADRP C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000414838237 499836227 /nfs/dbraw/zinc/83/62/27/499836227.db2.gz LCJBHWDSFSYRKP-HZPDHXFCSA-N 2 0 351.922 3.056 20 0 FGADRP C[NH+](C)CCOc1cccc(NC(=O)NCC[NH2+]C2CCCCCC2)c1 ZINC000414886366 499841516 /nfs/dbraw/zinc/84/15/16/499841516.db2.gz PVLHZKKXXUAILI-UHFFFAOYSA-N 2 0 362.518 3.061 20 0 FGADRP COc1ccc(-c2nn(Cc3ccccc3)cc2C[NH2+][C@@H](C)CC[NH3+])cc1 ZINC000414894303 499842441 /nfs/dbraw/zinc/84/24/41/499842441.db2.gz KZDIZRMAPAVGTJ-KRWDZBQOSA-N 2 0 364.493 3.434 20 0 FGADRP C[C@@H](CC[NH3+])[NH2+]Cc1cc(Br)ccc1OCc1ccccn1 ZINC000414895857 499842754 /nfs/dbraw/zinc/84/27/54/499842754.db2.gz NNQKFIIDHHCCMJ-ZDUSSCGKSA-N 2 0 364.287 3.250 20 0 FGADRP C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]CC1(C)CC[NH2+]CC1 ZINC000414905809 499843629 /nfs/dbraw/zinc/84/36/29/499843629.db2.gz OXAQSMGSDGYQKV-OAHLLOKOSA-N 2 0 351.922 3.056 20 0 FGADRP C[C@H]1C[NH2+]CC[C@H]1[NH2+]Cc1ccc(Br)c(Br)c1 ZINC000414951103 499847871 /nfs/dbraw/zinc/84/78/71/499847871.db2.gz GXDZILLGKRIAGN-TVQRCGJNSA-N 2 0 362.109 3.299 20 0 FGADRP C[C@@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+][C@H]1CC[NH2+][C@H](C)C1 ZINC000414950347 499847953 /nfs/dbraw/zinc/84/79/53/499847953.db2.gz OMGRCVYXRRFFON-DYEKYZERSA-N 2 0 359.392 3.032 20 0 FGADRP C[C@@H]1C[C@H]1[N@@H+]1CCN(C(=O)c2cccc(C[NH+]3CCCCC3)c2)C[C@@H](C)C1 ZINC000412358809 499848352 /nfs/dbraw/zinc/84/83/52/499848352.db2.gz JIIMLTXAUOGPLJ-NNMXDRDESA-N 2 0 369.553 3.475 20 0 FGADRP COCC1(C[NH2+]Cc2cccc(OCc3ccccc3)c2)CC[NH2+]CC1 ZINC000414953750 499848384 /nfs/dbraw/zinc/84/83/84/499848384.db2.gz KAVFPKVHZCSCAF-UHFFFAOYSA-N 2 0 354.494 3.371 20 0 FGADRP Fc1ccccc1-c1ccc(C[NH2+]C[C@H](N2CC[NH2+]CC2)C(F)(F)F)o1 ZINC000414963403 499849273 /nfs/dbraw/zinc/84/92/73/499849273.db2.gz AZNLUNAYHITMGM-KRWDZBQOSA-N 2 0 371.378 3.011 20 0 FGADRP [NH3+]CC[C@@H]1CCCN(C(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)C1 ZINC000414962996 499849323 /nfs/dbraw/zinc/84/93/23/499849323.db2.gz KJSATCLFNKHPQD-IBGZPJMESA-N 2 0 358.530 3.308 20 0 FGADRP CC[NH+]1CCN(c2ccccc2C[NH2+]Cc2ccc3c(c2)CCCN3)CC1 ZINC000414977421 499850686 /nfs/dbraw/zinc/85/06/86/499850686.db2.gz JWUVXRWHPRATSA-UHFFFAOYSA-N 2 0 364.537 3.476 20 0 FGADRP COc1cc(C[NH2+][C@@H]2CC[NH2+]CC2(C)C)ccc1OCc1ccncc1 ZINC000414977817 499850717 /nfs/dbraw/zinc/85/07/17/499850717.db2.gz RXXZAGAIEUVWHL-HXUWFJFHSA-N 2 0 355.482 3.147 20 0 FGADRP O=C(Nc1ccc(CC[NH+]2CCCCC2)cc1)N1CCC2(C1)CC[NH2+]CC2 ZINC000414981183 499851368 /nfs/dbraw/zinc/85/13/68/499851368.db2.gz XIUPNUWJCBFNDN-UHFFFAOYSA-N 2 0 370.541 3.322 20 0 FGADRP COc1cc(Br)c(C[NH2+]C[C@H]2CCC[C@@H]([NH3+])C2)c(OC)c1 ZINC000414986898 499851677 /nfs/dbraw/zinc/85/16/77/499851677.db2.gz CVGYYJHAGRLMCJ-NWDGAFQWSA-N 2 0 357.292 3.073 20 0 FGADRP [NH3+][C@@H]1CCC[C@@H](C[NH2+]Cc2cn(-c3cccc(Cl)c3Cl)nn2)C1 ZINC000414990693 499851986 /nfs/dbraw/zinc/85/19/86/499851986.db2.gz AKQJWJVLRTUAOO-VXGBXAGGSA-N 2 0 354.285 3.181 20 0 FGADRP COCCOc1cccc(C[NH2+]C[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)c1 ZINC000414998538 499853021 /nfs/dbraw/zinc/85/30/21/499853021.db2.gz IDDBUCJOBWTUKJ-SIKLNZKXSA-N 2 0 372.484 3.334 20 0 FGADRP C[C@@H](CCCC[NH3+])[NH2+]Cc1c(F)ccc(I)c1F ZINC000415017484 499855452 /nfs/dbraw/zinc/85/54/52/499855452.db2.gz RZCBHPDICUJZGX-VIFPVBQESA-N 2 0 368.209 3.177 20 0 FGADRP C[C@@H]1C[N@H+](Cc2cn(-c3ccccc3)nc2-c2ccncc2)C[C@@]1(C)C[NH3+] ZINC000415057466 499859266 /nfs/dbraw/zinc/85/92/66/499859266.db2.gz SXFATTXJAJXBPI-VGOFRKELSA-N 2 0 361.493 3.351 20 0 FGADRP COc1cc([C@H](C)[NH2+]CC2CC[NH2+]CC2)ccc1OCc1ccncc1 ZINC000415085727 499862031 /nfs/dbraw/zinc/86/20/31/499862031.db2.gz IRPNWGVRZONFAV-INIZCTEOSA-N 2 0 355.482 3.319 20 0 FGADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1ccc(Cn2ccccc2=O)cc1 ZINC000415088566 499862123 /nfs/dbraw/zinc/86/21/23/499862123.db2.gz XSJXXGODWCFRBF-NQIIRXRSSA-N 2 0 353.510 3.297 20 0 FGADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1ccc(Cn2ccccc2=O)cc1 ZINC000415088570 499862228 /nfs/dbraw/zinc/86/22/28/499862228.db2.gz XSJXXGODWCFRBF-WIYYLYMNSA-N 2 0 353.510 3.297 20 0 FGADRP [NH3+][C@@H]1CCO[C@@H](C2CC[NH+](Cc3sccc3Br)CC2)C1 ZINC000415116644 499865720 /nfs/dbraw/zinc/86/57/20/499865720.db2.gz BSOLDCPRGMSDJX-TZMCWYRMSA-N 2 0 359.333 3.229 20 0 FGADRP COc1ccccc1C[C@H](C)[NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1 ZINC000415127522 499867559 /nfs/dbraw/zinc/86/75/59/499867559.db2.gz IJSMLJQVJZMWGY-IBGZPJMESA-N 2 0 367.537 3.209 20 0 FGADRP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](Cc2cccc(OCC(F)(F)F)c2)CC1 ZINC000415130363 499867864 /nfs/dbraw/zinc/86/78/64/499867864.db2.gz QREOPLRJTFWMTA-QZTJIDSGSA-N 2 0 372.431 3.346 20 0 FGADRP COc1cc(C[NH+]2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)ccc1SC ZINC000415132702 499868537 /nfs/dbraw/zinc/86/85/37/499868537.db2.gz UJJDASZHZKFNEM-VQIMIIECSA-N 2 0 350.528 3.135 20 0 FGADRP [NH3+][C@H]1CCCO[C@@H]1C1CC[NH+](Cc2c(F)cccc2N2CCCC2)CC1 ZINC000415137154 499869095 /nfs/dbraw/zinc/86/90/95/499869095.db2.gz XTZVQXKILUEIRN-PZJWPPBQSA-N 2 0 361.505 3.144 20 0 FGADRP [NH3+][C@H]1CCCO[C@H]1C1CC[NH+](Cc2ccccc2OC(F)(F)F)CC1 ZINC000415138207 499869230 /nfs/dbraw/zinc/86/92/30/499869230.db2.gz YOVHKZYNSZHKPE-RDJZCZTQSA-N 2 0 358.404 3.304 20 0 FGADRP CC[NH+](CC)CCOc1ccc(NC(=O)NC[C@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000415180458 499874012 /nfs/dbraw/zinc/87/40/12/499874012.db2.gz LBOBSOXVPWEUBY-DLBZAZTESA-N 2 0 362.518 3.046 20 0 FGADRP Cc1ccc(NC(=O)NCc2ccc([C@@H](C)[NH3+])cc2)c(OCC[NH+](C)C)c1 ZINC000415204505 499876500 /nfs/dbraw/zinc/87/65/00/499876500.db2.gz OHQIPRSPOXMJRZ-MRXNPFEDSA-N 2 0 370.497 3.277 20 0 FGADRP C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000415882053 499923954 /nfs/dbraw/zinc/92/39/54/499923954.db2.gz KDCINJTVAUWDGK-UHFFFAOYSA-N 2 0 370.472 3.067 20 0 FGADRP C[NH2+]Cc1cccc(NC(=O)N[C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000415933758 499930120 /nfs/dbraw/zinc/93/01/20/499930120.db2.gz PXOAWKWTBPTZQK-YLJYHZDGSA-N 2 0 366.509 3.438 20 0 FGADRP C[NH2+]Cc1cccc(NC(=O)N[C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000415933754 499930159 /nfs/dbraw/zinc/93/01/59/499930159.db2.gz PXOAWKWTBPTZQK-FXAWDEMLSA-N 2 0 366.509 3.438 20 0 FGADRP C[NH2+]Cc1cccc(NC(=O)NC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000415933119 499930209 /nfs/dbraw/zinc/93/02/09/499930209.db2.gz PEUZXXNZSJEDJN-UHFFFAOYSA-N 2 0 352.482 3.192 20 0 FGADRP CC[NH2+]Cc1ccccc1NC(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000415942521 499931476 /nfs/dbraw/zinc/93/14/76/499931476.db2.gz JFOWHQGAINBURF-UHFFFAOYSA-N 2 0 370.497 3.058 20 0 FGADRP CN(CCC[N@H+](C)Cc1ccco1)C(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000415949553 499932310 /nfs/dbraw/zinc/93/23/10/499932310.db2.gz CGNMSNYEKDKSKN-UHFFFAOYSA-N 2 0 374.460 3.050 20 0 FGADRP CCN(CC[NH+]1CCCCCC1)C(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000415963404 499934387 /nfs/dbraw/zinc/93/43/87/499934387.db2.gz VLQNKKHZZUAGHF-UHFFFAOYSA-N 2 0 362.493 3.201 20 0 FGADRP CC(C)(CNC(=O)Nc1ccc(C[NH3+])cc1)[N@@H+]1CCc2ccccc2C1 ZINC000415971232 499935683 /nfs/dbraw/zinc/93/56/83/499935683.db2.gz GAELIRSMSGWGQT-UHFFFAOYSA-N 2 0 352.482 3.104 20 0 FGADRP C[NH2+]Cc1ccc(NC(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)cc1 ZINC000415972850 499936033 /nfs/dbraw/zinc/93/60/33/499936033.db2.gz NDZGNIBMEKFWOT-HXUWFJFHSA-N 2 0 366.509 3.092 20 0 FGADRP CC[NH+](CC)CCOc1ccccc1CNC(=O)Nc1ccc(C[NH3+])cc1 ZINC000415981525 499937194 /nfs/dbraw/zinc/93/71/94/499937194.db2.gz VTZHKPJGCMLRPU-UHFFFAOYSA-N 2 0 370.497 3.188 20 0 FGADRP C[C@@H]1CN(C(=O)Nc2ccc3c(c2)C[NH2+]C3)[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC000415988549 499938053 /nfs/dbraw/zinc/93/80/53/499938053.db2.gz DFJDGODGXZAGRX-SJORKVTESA-N 2 0 364.493 3.417 20 0 FGADRP CCc1ccc([C@H](CNC(=O)Nc2ccc(C[NH2+]C)cc2)[NH+](C)C)cc1 ZINC000415993079 499938479 /nfs/dbraw/zinc/93/84/79/499938479.db2.gz SLDIRUCEAQPOOB-FQEVSTJZSA-N 2 0 354.498 3.393 20 0 FGADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)N(CCC[NH3+])CC2CCCC2)C1 ZINC000417028725 499951845 /nfs/dbraw/zinc/95/18/45/499951845.db2.gz BSIPGPIBRZDDAL-GOSISDBHSA-N 2 0 352.567 3.049 20 0 FGADRP CCc1ccccc1[C@@H]([NH3+])CNC(=O)NCCCC[N@@H+]1CCCC[C@H]1C ZINC000417042693 499956394 /nfs/dbraw/zinc/95/63/94/499956394.db2.gz LXDJICQJOKWKRG-XLIONFOSSA-N 2 0 360.546 3.203 20 0 FGADRP C[NH+](C)CCOc1cccc(NC(=O)C[C@H](c2ccccc2)[NH+](C)C)c1 ZINC000416143962 499957239 /nfs/dbraw/zinc/95/72/39/499957239.db2.gz LRJKRJQPXGRGGC-HXUWFJFHSA-N 2 0 355.482 3.259 20 0 FGADRP C[C@H](NC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)C(C)(C)C[NH+](C)C ZINC000428970219 499971249 /nfs/dbraw/zinc/97/12/49/499971249.db2.gz XSEBRIBWUWCXDT-WSTZPKSXSA-N 2 0 374.573 3.173 20 0 FGADRP Cc1cc(C)n(CC[NH+]2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)n1 ZINC000573310776 506168398 /nfs/dbraw/zinc/16/83/98/506168398.db2.gz VKTIZZAKVBSIEQ-UHFFFAOYSA-N 2 0 352.526 3.488 20 0 FGADRP C[C@H](C[NH+]1CCOC[C@@H](C2CCC2)C1)C[N@@H+]1CCOC[C@H](C2CCC2)C1 ZINC000429029963 499988444 /nfs/dbraw/zinc/98/84/44/499988444.db2.gz QPEGIVTUIYSHAG-FJPGZJACSA-N 2 0 364.574 3.120 20 0 FGADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)NC[C@H]2CCCC[NH+]2C2CC2)C1 ZINC000429098869 500003402 /nfs/dbraw/zinc/00/34/02/500003402.db2.gz QDRVSOUIEKUNSO-YFVAEKQCSA-N 2 0 370.541 3.138 20 0 FGADRP CC1CC[NH+]([C@H](CNC(=O)N2CC[C@@H](C)[C@H](C[NH3+])C2)c2ccccc2)CC1 ZINC000417211718 500006416 /nfs/dbraw/zinc/00/64/16/500006416.db2.gz GTDQKAMLJBYHNW-HMXCVIKNSA-N 2 0 372.557 3.086 20 0 FGADRP CC[NH2+][C@H](C)CNC(=O)NCc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000417212350 500006818 /nfs/dbraw/zinc/00/68/18/500006818.db2.gz FFOHNPKPTRZXGY-QGZVFWFLSA-N 2 0 360.546 3.248 20 0 FGADRP C[C@H]([NH3+])c1ccc(CNC(=O)N[C@@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)cc1 ZINC000417217526 500008088 /nfs/dbraw/zinc/00/80/88/500008088.db2.gz DKFDXLBEEPSRLG-XGHQBKJUSA-N 2 0 366.509 3.341 20 0 FGADRP C[C@@H](CCCC[NH3+])NC(=O)NC[C@@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC000417220701 500009124 /nfs/dbraw/zinc/00/91/24/500009124.db2.gz YWHXDWPEEWTHGT-ICSRJNTNSA-N 2 0 360.546 3.276 20 0 FGADRP COC(=O)[C@@H]1C[N@H+](CC[C@H]2CCCC[NH+]2C)C[C@H]1c1ccc(Cl)cc1 ZINC000429133245 500009882 /nfs/dbraw/zinc/00/98/82/500009882.db2.gz XYPYAFILLNWINE-CEXWTWQISA-N 2 0 364.917 3.403 20 0 FGADRP Cc1ccccc1C[NH+]1CCC(NC(=O)C[NH+](C2CCC2)C2CCC2)CC1 ZINC000429135720 500010387 /nfs/dbraw/zinc/01/03/87/500010387.db2.gz UYIFMSZWLCIAAC-UHFFFAOYSA-N 2 0 369.553 3.483 20 0 FGADRP CC[C@@H](C(=O)N[C@@H](c1ccc(F)c(F)c1)C(C)(C)[NH+]1CCCC1)[NH+](C)C ZINC000413681976 500023278 /nfs/dbraw/zinc/02/32/78/500023278.db2.gz FRAGXLOPGYPCJG-ROUUACIJSA-N 2 0 367.484 3.337 20 0 FGADRP CN(c1ccccc1C[NH2+]C1CCC([NH+](C)C)CC1)C1CC[NH+](C)CC1 ZINC000421376509 500032363 /nfs/dbraw/zinc/03/23/63/500032363.db2.gz RGVOFNLAKSRROD-UHFFFAOYSA-N 3 0 358.574 3.179 20 0 FGADRP CC[NH+]1CCC(N2CCC[N@H+](C/C=C\c3ccccc3OC)CC2)CC1 ZINC000421382644 500034006 /nfs/dbraw/zinc/03/40/06/500034006.db2.gz YMIQQPYJUJXPEO-TWGQIWQCSA-N 2 0 357.542 3.200 20 0 FGADRP Cc1ccc([C@H](CNC(=O)N2CCC([C@@H]3[NH2+]CC3(C)C)CC2)[NH+](C)C)cc1 ZINC000417310923 500036278 /nfs/dbraw/zinc/03/62/78/500036278.db2.gz KYZQEIIPDFMWCT-PMACEKPBSA-N 2 0 372.557 3.017 20 0 FGADRP C[C@H]([NH3+])c1ccc(CNC(=O)NC2CC[NH+](CC3CCCC3)CC2)cc1 ZINC000417332223 500041939 /nfs/dbraw/zinc/04/19/39/500041939.db2.gz NSZSTWHCLZJYIO-INIZCTEOSA-N 2 0 358.530 3.160 20 0 FGADRP CSC[C@H]1CCC[NH+](CC2(C[N@H+]3CCC[C@H](CSC)C3)COC2)C1 ZINC000429297028 500046676 /nfs/dbraw/zinc/04/66/76/500046676.db2.gz CLCABYMIRSDZIA-ROUUACIJSA-N 2 0 372.644 3.153 20 0 FGADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]CC(C)(C)C3(O)CCOCC3)CC2)C1 ZINC000417377534 500053562 /nfs/dbraw/zinc/05/35/62/500053562.db2.gz GAGZRDFXXQHVRX-MJGOQNOKSA-N 2 0 352.563 3.187 20 0 FGADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]CC(C)(C)C2(O)CCOCC2)CC1 ZINC000417386274 500057146 /nfs/dbraw/zinc/05/71/46/500057146.db2.gz SRHHGYAHPOMVGV-MJGOQNOKSA-N 2 0 352.563 3.187 20 0 FGADRP C[NH+](C)[C@H]1CCC[N@H+](CCC(=O)Nc2cccc(C(F)(F)F)c2)CC1 ZINC000429535419 500094955 /nfs/dbraw/zinc/09/49/55/500094955.db2.gz ICOOZKFMMGWMOQ-INIZCTEOSA-N 2 0 357.420 3.450 20 0 FGADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@@H](CCC[NH3+])c1ccccc1 ZINC000417554806 500107118 /nfs/dbraw/zinc/10/71/18/500107118.db2.gz KKPXCSLHQZFKQJ-UXHICEINSA-N 2 0 360.546 3.420 20 0 FGADRP C[NH+](C)C1CCC(NC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000421680178 500114756 /nfs/dbraw/zinc/11/47/56/500114756.db2.gz QPYBPTHJZIFIKS-UHFFFAOYSA-N 2 0 357.542 3.278 20 0 FGADRP C[C@H]([NH2+]C(C)(C)CNC(=O)NC[C@H]1CC[C@H](C[NH3+])CC1)c1ccccc1 ZINC000417621241 500127518 /nfs/dbraw/zinc/12/75/18/500127518.db2.gz HBMLVFGKIUQYBN-BZSNNMDCSA-N 2 0 360.546 3.180 20 0 FGADRP C[C@H](CCCC[NH3+])NC(=O)NC[C@@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000416829237 500131546 /nfs/dbraw/zinc/13/15/46/500131546.db2.gz FOXKLIMUICKSGX-SJORKVTESA-N 2 0 366.575 3.338 20 0 FGADRP CCCN(C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1)C1CC[NH2+]CC1 ZINC000416836619 500133992 /nfs/dbraw/zinc/13/39/92/500133992.db2.gz GTQGTHZXABRINM-QGZVFWFLSA-N 2 0 364.559 3.059 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N(C)C1CC[NH2+]CC1)c1ccccc1Cl ZINC000416851071 500138229 /nfs/dbraw/zinc/13/82/29/500138229.db2.gz QNWDINBGNBGZQO-GOSISDBHSA-N 2 0 366.937 3.116 20 0 FGADRP CC(C)(C)[C@@H](C[N@@H+]1CCc2ccccc2C1)NC(=O)NC(C)(C)CCC[NH3+] ZINC000417687612 500149479 /nfs/dbraw/zinc/14/94/79/500149479.db2.gz RMKVEBKEHBPEBD-LJQANCHMSA-N 2 0 374.573 3.276 20 0 FGADRP CCC(CC)(CNC(=O)N[C@@H]1CC[C@H](C[NH3+])C1)[NH2+][C@H](C)c1ccccc1 ZINC000417695666 500150793 /nfs/dbraw/zinc/15/07/93/500150793.db2.gz BMCLZMDJTGULMC-ZIFCJYIRSA-N 2 0 360.546 3.323 20 0 FGADRP C[N@@H+]1CCC[C@H](CC[NH2+]CCC(=O)Nc2cccc(C(F)(F)F)c2)C1 ZINC000573359276 506179150 /nfs/dbraw/zinc/17/91/50/506179150.db2.gz SYSBAVPSRKSZNQ-CQSZACIVSA-N 2 0 357.420 3.356 20 0 FGADRP COc1ccc([C@H]([NH2+]C[C@@H](C(C)C)N2CC[NH+](C)CC2)C(C)C)c(F)c1 ZINC000421822602 500159765 /nfs/dbraw/zinc/15/97/65/500159765.db2.gz XJNAPCWTXUIYOD-LEWJYISDSA-N 2 0 365.537 3.393 20 0 FGADRP COc1ccc([C@H]([NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)C2CC2)c(F)c1 ZINC000421838581 500162096 /nfs/dbraw/zinc/16/20/96/500162096.db2.gz VOQOJBGZHRSYML-OXQOHEQNSA-N 2 0 350.478 3.112 20 0 FGADRP CC[NH2+][C@H](C)CNC(=O)NCc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000416963223 500167302 /nfs/dbraw/zinc/16/73/02/500167302.db2.gz REBKOKIIGLFWGG-QGZVFWFLSA-N 2 0 368.525 3.212 20 0 FGADRP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000416976126 500172846 /nfs/dbraw/zinc/17/28/46/500172846.db2.gz NWVUMXPOFRTUFI-RXVVDRJESA-N 2 0 372.557 3.392 20 0 FGADRP CCCN(C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C)[C@@H]1CC[NH2+]C1 ZINC000416978464 500173335 /nfs/dbraw/zinc/17/33/35/500173335.db2.gz RJJWSCBUZHFYQD-GHTZIAJQSA-N 2 0 372.557 3.345 20 0 FGADRP C[C@H]1[C@@H](NC(=O)Nc2ccccc2-c2ncc3n2CCCC3)CCC[N@@H+]1C ZINC000425669510 500176077 /nfs/dbraw/zinc/17/60/77/500176077.db2.gz CKJHUNDPYGSTCH-YJBOKZPZSA-N 2 0 367.497 3.491 20 0 FGADRP CC(C)[NH+]1CCC(O)(C[NH2+]Cc2cc(Cl)ccc2OCC2CC2)CC1 ZINC000430039361 500184241 /nfs/dbraw/zinc/18/42/41/500184241.db2.gz DSKPYEBDQLWYSI-UHFFFAOYSA-N 2 0 366.933 3.454 20 0 FGADRP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)N[C@@H](C[NH3+])c2ccc3ccccc3c2)C1 ZINC000417860902 500185871 /nfs/dbraw/zinc/18/58/71/500185871.db2.gz ZJDWYNDAUAVLLO-AQNXPRMDSA-N 2 0 354.498 3.012 20 0 FGADRP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+]C[C@H](O)COCc2ccc(Cl)cc2)C1 ZINC000579463572 506181308 /nfs/dbraw/zinc/18/13/08/506181308.db2.gz ZXKCJLAYUOQHHF-ICSRJNTNSA-N 2 0 368.949 3.175 20 0 FGADRP CCCC[N@H+](CC)Cc1cccc(CNC(=O)N[C@@H]2CC[NH2+][C@@H](C)C2)c1 ZINC000417887187 500192359 /nfs/dbraw/zinc/19/23/59/500192359.db2.gz WWNWTAHIBZFBBF-FXAWDEMLSA-N 2 0 360.546 3.248 20 0 FGADRP C[C@@H]1C[C@H](CCNC(=O)N[C@@H]2CCCC[C@H]2C[NH3+])C[N@@H+]1Cc1ccccc1 ZINC000417918581 500197804 /nfs/dbraw/zinc/19/78/04/500197804.db2.gz FOOQEFHSUVJQSG-BVOGOJNSSA-N 2 0 372.557 3.104 20 0 FGADRP CCCN(C(=O)NCC[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1)[C@@H]1CC[NH2+]C1 ZINC000417930874 500200088 /nfs/dbraw/zinc/20/00/88/500200088.db2.gz VCRNMLFIOXYKAS-CEWLAPEOSA-N 2 0 372.557 3.071 20 0 FGADRP C[C@@H]1C[C@H](CCNC(=O)N2CCC[C@H](CC[NH3+])C2)C[N@@H+]1Cc1ccccc1 ZINC000417935041 500200461 /nfs/dbraw/zinc/20/04/61/500200461.db2.gz ZCSRNPKFAZLJKB-NRSPTQNISA-N 2 0 372.557 3.058 20 0 FGADRP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000418156874 500239037 /nfs/dbraw/zinc/23/90/37/500239037.db2.gz NUDDEDGIHRBRJJ-UFYCRDLUSA-N 2 0 372.557 3.104 20 0 FGADRP C[C@@H](CCCC[NH3+])NC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000418166076 500240580 /nfs/dbraw/zinc/24/05/80/500240580.db2.gz YWFVYJCAIZVTTM-PKOBYXMFSA-N 2 0 360.546 3.104 20 0 FGADRP CCC[N@H+](C)[C@H](CNC(=O)N1C[C@@H](C[NH3+])C[C@@H]1C)c1ccc(Cl)cc1 ZINC000418177564 500243428 /nfs/dbraw/zinc/24/34/28/500243428.db2.gz HUXIRGXIDDBEIC-HDMKZQKVSA-N 2 0 366.937 3.102 20 0 FGADRP C[NH2+]C[C@@H]1CCCN(C(=O)NC[C@H](c2ccc(CC(C)C)cc2)[NH+](C)C)C1 ZINC000418190825 500246291 /nfs/dbraw/zinc/24/62/91/500246291.db2.gz JSBWUOOKJVIIKZ-PZJWPPBQSA-N 2 0 374.573 3.129 20 0 FGADRP CCc1ccc([C@H](CNC(=O)N2CCC[C@@H](C[NH2+]C)C2)[NH+](CC)CC)cc1 ZINC000418209809 500249908 /nfs/dbraw/zinc/24/99/08/500249908.db2.gz FXBCVFFLNVRLMT-FPOVZHCZSA-N 2 0 374.573 3.273 20 0 FGADRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000418231557 500253261 /nfs/dbraw/zinc/25/32/61/500253261.db2.gz GQHBHXVGLMOLPS-SFTDATJTSA-N 2 0 374.573 3.304 20 0 FGADRP CC[NH2+]CC1CC[NH+]([C@H](C)C(=O)Nc2cccc(Br)c2)CC1 ZINC000430585237 500258284 /nfs/dbraw/zinc/25/82/84/500258284.db2.gz QCGYBPXJRIFPPO-CYBMUJFWSA-N 2 0 368.319 3.098 20 0 FGADRP C[C@H]([NH3+])[C@@H]1CCC[N@H+](CCC(=O)N[C@H](c2cccs2)c2ccccc2)C1 ZINC000430601406 500260953 /nfs/dbraw/zinc/26/09/53/500260953.db2.gz TZWUSUISPVSBRL-CDXJDZJCSA-N 2 0 371.550 3.403 20 0 FGADRP C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)NC[C@H]([NH3+])c2ccccc2)CC1 ZINC000418421750 500273999 /nfs/dbraw/zinc/27/39/99/500273999.db2.gz CUUDNFGYPYFEDH-RXVVDRJESA-N 2 0 372.557 3.373 20 0 FGADRP O=C(NCc1ccccc1C[NH+]1CCCCCC1)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000426455946 500274183 /nfs/dbraw/zinc/27/41/83/500274183.db2.gz VFOGIGDHIJJMKB-NRFANRHFSA-N 2 0 355.526 3.306 20 0 FGADRP CC(C)C[C@@H](C[NH3+])NC(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000418422201 500274435 /nfs/dbraw/zinc/27/44/35/500274435.db2.gz COOYPFCVOZWEBV-UNMCSNQZSA-N 2 0 372.557 3.058 20 0 FGADRP CCC([NH3+])(CC)CNC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000418435725 500276472 /nfs/dbraw/zinc/27/64/72/500276472.db2.gz IBGJRGMQWHFIPJ-HKUYNNGSSA-N 2 0 360.546 3.198 20 0 FGADRP C[NH+](C)CCC1CCN(C(=O)N[C@H](C[NH3+])c2ccc3ccccc3c2)CC1 ZINC000418498790 500284345 /nfs/dbraw/zinc/28/43/45/500284345.db2.gz KVDMGXROACATCK-OAQYLSRUSA-N 2 0 368.525 3.213 20 0 FGADRP C[C@@H]1C[C@@H](C)[N@H+](CCC(=O)Nc2ccccc2Br)C[C@H]1C[NH3+] ZINC000422641163 500285300 /nfs/dbraw/zinc/28/53/00/500285300.db2.gz XGRFXSQQYLQSFP-MGPQQGTHSA-N 2 0 368.319 3.083 20 0 FGADRP C[C@@H]1C[C@H](C)[N@H+](CCC(=O)Nc2ccc(Br)cc2)C[C@@H]1C[NH3+] ZINC000422640955 500285418 /nfs/dbraw/zinc/28/54/18/500285418.db2.gz WPTCEWPSBLNAHS-RDBSUJKOSA-N 2 0 368.319 3.083 20 0 FGADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)N[C@H](C[NH3+])c2ccc3ccccc3c2)C1 ZINC000418503847 500285718 /nfs/dbraw/zinc/28/57/18/500285718.db2.gz ZUCJJLGKTPIHPI-DYESRHJHSA-N 2 0 368.525 3.213 20 0 FGADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CC(C)(C)N1CCc2ccccc2C1 ZINC000422701035 500287084 /nfs/dbraw/zinc/28/70/84/500287084.db2.gz HWQVSOKRFDWCNB-INIZCTEOSA-N 2 0 352.526 3.336 20 0 FGADRP COc1cccc(OC)c1Oc1ccc(C[NH2+][C@H]2CCC[C@H]2C[NH3+])cn1 ZINC000422719726 500289452 /nfs/dbraw/zinc/28/94/52/500289452.db2.gz MHTGIQNPEPAJCM-HOTGVXAUSA-N 2 0 357.454 3.108 20 0 FGADRP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000422724751 500290088 /nfs/dbraw/zinc/29/00/88/500290088.db2.gz WNTHACZFMLCWBA-VGOFRKELSA-N 2 0 355.501 3.338 20 0 FGADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CC1(c2ccc(F)cc2)CCOCC1 ZINC000422750884 500293746 /nfs/dbraw/zinc/29/37/46/500293746.db2.gz AOGUICBBASMHQN-HNNXBMFYSA-N 2 0 357.473 3.387 20 0 FGADRP C[C@@H]([NH2+]CC1(c2cccc(C(F)(F)F)c2)CCOCC1)[C@@H]1CCC[NH2+]1 ZINC000422756601 500294584 /nfs/dbraw/zinc/29/45/84/500294584.db2.gz JCDMMFGSZOUGQH-PBHICJAKSA-N 2 0 356.432 3.484 20 0 FGADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]CC1(c2cccc(C(F)(F)F)c2)CCOCC1 ZINC000422762548 500295085 /nfs/dbraw/zinc/29/50/85/500295085.db2.gz NXTNDNOBQBAMKY-RHSMWYFYSA-N 2 0 356.432 3.471 20 0 FGADRP CCOC(=O)C1([C@@H](C)[NH2+]CC(C)(C)c2cccc(F)c2)CC[NH2+]CC1 ZINC000422766107 500295134 /nfs/dbraw/zinc/29/51/34/500295134.db2.gz ROUXPVGSZARIAS-OAHLLOKOSA-N 2 0 350.478 3.014 20 0 FGADRP COc1ccc(OC)c(CC[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000422766552 500295147 /nfs/dbraw/zinc/29/51/47/500295147.db2.gz RVJVMDXUWAQJHT-UGKGYDQZSA-N 2 0 368.477 3.092 20 0 FGADRP C[C@H]([NH2+]C1(CN[C@H](C2CC2)[C@H]2C[NH2+]CCO2)CCCC1)c1ccccc1 ZINC000422762253 500295331 /nfs/dbraw/zinc/29/53/31/500295331.db2.gz MKIQSFOGPDRELL-IOMROCGXSA-N 2 0 357.542 3.007 20 0 FGADRP COc1ccc(OC)c(CC[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000422766551 500295499 /nfs/dbraw/zinc/29/54/99/500295499.db2.gz RVJVMDXUWAQJHT-SIKLNZKXSA-N 2 0 368.477 3.092 20 0 FGADRP CCOC(=O)C1([C@@H](C)[NH2+]CC2(c3cccc(Cl)c3)CC2)CC[NH2+]CC1 ZINC000422774163 500296542 /nfs/dbraw/zinc/29/65/42/500296542.db2.gz VVPXRULSKKNIQC-OAHLLOKOSA-N 2 0 364.917 3.283 20 0 FGADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@H]1CCCN(c2ccccc2Cl)C1=O ZINC000422789479 500298183 /nfs/dbraw/zinc/29/81/83/500298183.db2.gz WWQKKFPBKOXGTD-KSSFIOAISA-N 2 0 372.900 3.348 20 0 FGADRP CCOC(=O)C1([C@H](C)[NH2+]Cc2ccc3cc(OC)ccc3c2)CC[NH2+]CC1 ZINC000422798983 500299157 /nfs/dbraw/zinc/29/91/57/500299157.db2.gz UNGNVIPCTVIJBD-INIZCTEOSA-N 2 0 370.493 3.259 20 0 FGADRP CCOC(=O)C1([C@H](C)[NH2+]CC2(c3ccccc3)CCCC2)CC[NH2+]CC1 ZINC000422808330 500300700 /nfs/dbraw/zinc/30/07/00/500300700.db2.gz KVGFBCOEKWQXQH-SFHVURJKSA-N 2 0 358.526 3.409 20 0 FGADRP C[C@@H]1C[NH+](Cc2ccc(C[NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)cc2)C[C@@H](C)O1 ZINC000422810563 500301202 /nfs/dbraw/zinc/30/12/02/500301202.db2.gz NQJMWHOZQQUKID-UDMCKFQASA-N 3 0 371.569 3.306 20 0 FGADRP C[C@H]([NH2+]CCCOC1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCCC[NH2+]1 ZINC000422820316 500301956 /nfs/dbraw/zinc/30/19/56/500301956.db2.gz PXEMRNALSKGRFO-UGKGYDQZSA-N 3 0 359.558 3.178 20 0 FGADRP CC[C@H]([NH2+]CCCOC1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCC[NH2+]1 ZINC000422821813 500302485 /nfs/dbraw/zinc/30/24/85/500302485.db2.gz YQEUXGHMCZMIML-VXKWHMMOSA-N 3 0 359.558 3.178 20 0 FGADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]CCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000422821967 500302882 /nfs/dbraw/zinc/30/28/82/500302882.db2.gz ZLQPBTPIKOSNDG-IRLDBZIGSA-N 3 0 359.558 3.165 20 0 FGADRP FC(F)(F)c1ccc(NCCC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)nc1 ZINC000422833321 500303290 /nfs/dbraw/zinc/30/32/90/500303290.db2.gz MLCSEVBJRQDLAB-YESZJQIVSA-N 2 0 370.463 3.225 20 0 FGADRP Cc1cc(Br)cc(C)c1C[NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000422828129 500303568 /nfs/dbraw/zinc/30/35/68/500303568.db2.gz SWXJVQOAWAGVBO-OKZBNKHCSA-N 2 0 367.331 3.313 20 0 FGADRP [NH3+]CCC[C@H](NC(=O)N1CCC([NH+]2CCCCC2)CC1)c1ccccc1 ZINC000418665953 500304034 /nfs/dbraw/zinc/30/40/34/500304034.db2.gz FQQHCPBHSXWAOF-FQEVSTJZSA-N 2 0 358.530 3.127 20 0 FGADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]Cc1cccc(COCc2ccccc2)c1 ZINC000422852493 500306098 /nfs/dbraw/zinc/30/60/98/500306098.db2.gz AWOKOHJALZHLNW-WTOYTKOKSA-N 2 0 354.494 3.245 20 0 FGADRP C[C@@H]1C[C@H](NC(=O)[C@H]2CCCCCC[C@@H]2[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000430910741 500306167 /nfs/dbraw/zinc/30/61/67/500306167.db2.gz XJHOCHLDPSYLMW-PBASOCQRSA-N 2 0 357.542 3.453 20 0 FGADRP C[C@@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)N1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000430940200 500310644 /nfs/dbraw/zinc/31/06/44/500310644.db2.gz JESSHLGCRPWUGR-ISTVAULSSA-N 2 0 363.811 3.355 20 0 FGADRP COc1cc(OC)c(CC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)c(OC)c1 ZINC000422885239 500310976 /nfs/dbraw/zinc/31/09/76/500310976.db2.gz GOHBUSBNDFSGSE-NZSAHSFTSA-N 2 0 362.514 3.155 20 0 FGADRP CC[C@@H](C)NC(=O)c1cccc(C[NH2+][C@H](C)c2ccc(C[NH3+])nc2C)c1 ZINC000422893482 500312390 /nfs/dbraw/zinc/31/23/90/500312390.db2.gz QSPHQIYJYQMUIS-HUUCEWRRSA-N 2 0 354.498 3.228 20 0 FGADRP C[C@H]([NH3+])C1CC[NH+](CC(=O)N(C)Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000430950940 500312498 /nfs/dbraw/zinc/31/24/98/500312498.db2.gz SVNNLJHQQWRADQ-LBPRGKRZSA-N 2 0 358.313 3.011 20 0 FGADRP CC[NH+](CC)CCOc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000422893650 500312649 /nfs/dbraw/zinc/31/26/49/500312649.db2.gz QVSQRZGVQXGPDX-YPAWHYETSA-N 3 0 359.558 3.418 20 0 FGADRP COc1ccc(Cl)cc1C1(C[NH2+][C@@H]2CCC[C@@H]2C[NH3+])CCOCC1 ZINC000422899203 500313302 /nfs/dbraw/zinc/31/33/02/500313302.db2.gz GZSOTUPDLCEVGR-RHSMWYFYSA-N 2 0 352.906 3.114 20 0 FGADRP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000422909976 500315655 /nfs/dbraw/zinc/31/56/55/500315655.db2.gz HCDWNEMSSHTUQA-AUSIDOKSSA-N 2 0 367.537 3.209 20 0 FGADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]CCOc1ncc(C(F)(F)F)cc1Cl ZINC000422920837 500316762 /nfs/dbraw/zinc/31/67/62/500316762.db2.gz MXDAEABLMNUKMB-GWCFXTLKSA-N 2 0 351.800 3.110 20 0 FGADRP CC(C)c1ccc(CN2CCN(C(=O)NCCC[C@H]3CCC[NH2+]3)CC2)cc1 ZINC000418744917 500316819 /nfs/dbraw/zinc/31/68/19/500316819.db2.gz FTZNDZOXMKZBKR-OAQYLSRUSA-N 2 0 372.557 3.169 20 0 FGADRP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[NH+]1C[C@H]2CCCC[C@@H]2C1 ZINC000426769643 500318296 /nfs/dbraw/zinc/31/82/96/500318296.db2.gz KRXBXKRMJWRBJX-HMXCVIKNSA-N 2 0 369.553 3.278 20 0 FGADRP CC[NH+](CC)CCCC1CCN(C(=O)NCCC[C@@H]2CCC[NH2+]2)CC1 ZINC000418774392 500321226 /nfs/dbraw/zinc/32/12/26/500321226.db2.gz RHYLPMZYUFMCBQ-IBGZPJMESA-N 2 0 352.567 3.062 20 0 FGADRP CCOC(=O)C1([C@@H](C)[NH2+]C[C@@H](Nc2ccccc2)C(C)C)CC[NH2+]CC1 ZINC000422982377 500326942 /nfs/dbraw/zinc/32/69/42/500326942.db2.gz WLSJWMQTDPGZTL-IEBWSBKVSA-N 2 0 361.530 3.034 20 0 FGADRP CCOC(=O)C1([C@H](C)[NH2+]C[C@@H](Nc2ccccc2)C(C)C)CC[NH2+]CC1 ZINC000422982379 500327350 /nfs/dbraw/zinc/32/73/50/500327350.db2.gz WLSJWMQTDPGZTL-PKOBYXMFSA-N 2 0 361.530 3.034 20 0 FGADRP COc1ccc([C@H](NC[C@H]2CCC[N@H+](CC(C)C)C2)[C@H]2CCC[NH2+]2)cc1 ZINC000422997315 500329311 /nfs/dbraw/zinc/32/93/11/500329311.db2.gz NMFBDCRYGDUACZ-QIJUGHKUSA-N 2 0 359.558 3.446 20 0 FGADRP CN1CC[C@H]([NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)[C@@H]1c1ccccc1 ZINC000423010969 500330210 /nfs/dbraw/zinc/33/02/10/500330210.db2.gz HPXOMMYNVQHJKA-MQFRRQCYSA-N 2 0 363.505 3.277 20 0 FGADRP Cc1cc(Br)cn2cc(C[NH2+][C@@H]3CCCC[C@@H]3C[NH3+])nc12 ZINC000423035171 500333297 /nfs/dbraw/zinc/33/32/97/500333297.db2.gz JDBMLNWRVHJXHT-IUODEOHRSA-N 2 0 351.292 3.012 20 0 FGADRP CCOC(=O)C1([C@H](C)[NH2+]C[C@@H](c2ccccc2)C(F)(F)F)CC[NH2+]CC1 ZINC000423062778 500337586 /nfs/dbraw/zinc/33/75/86/500337586.db2.gz NQAWVIPJBYKSSZ-HOCLYGCPSA-N 2 0 372.431 3.244 20 0 FGADRP C[C@H](C[C@H](C)[NH3+])[NH2+][C@@H](C)CCc1ccc(I)cc1 ZINC000423092657 500341052 /nfs/dbraw/zinc/34/10/52/500341052.db2.gz CVGUMCWMADTYSE-RWMBFGLXSA-N 2 0 360.283 3.328 20 0 FGADRP C[C@@H](CCC[NH3+])[NH2+]Cc1ccc(I)c(Cl)c1 ZINC000423102852 500342548 /nfs/dbraw/zinc/34/25/48/500342548.db2.gz ACYIIJQDBDQPDA-VIFPVBQESA-N 2 0 352.647 3.162 20 0 FGADRP C[NH+]1CCC(Oc2ccc(C[NH2+][C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)cc2)CC1 ZINC000423102635 500342686 /nfs/dbraw/zinc/34/26/86/500342686.db2.gz KIRVIGRLWOKJEV-FDFHNCONSA-N 3 0 357.542 3.170 20 0 FGADRP COCCC[C@H](C[NH2+][C@@H]1CCOC[C@H]1[C@@H](C)[NH3+])c1ccc(Cl)cc1 ZINC000423111096 500343740 /nfs/dbraw/zinc/34/37/40/500343740.db2.gz VSWJIQPJBCGFLT-SKWUIDRYSA-N 2 0 354.922 3.192 20 0 FGADRP Clc1ccc(-c2ncc(C[NH2+][C@@H](C3CC3)[C@@H]3CNCCO3)s2)cc1 ZINC000423112825 500343955 /nfs/dbraw/zinc/34/39/55/500343955.db2.gz YBGZMXRVJVMDHE-IRXDYDNUSA-N 2 0 363.914 3.320 20 0 FGADRP c1ccc(C[N@H+]2CCCC[C@H](CN[C@@H]3CCOC[C@@H]3[C@H]3CCC[NH2+]3)C2)cc1 ZINC000423141783 500347779 /nfs/dbraw/zinc/34/77/79/500347779.db2.gz RUKFZTVCNZDTKB-SSGKUCQKSA-N 3 0 371.569 3.035 20 0 FGADRP CCOC(=O)C1([C@H](C)[NH2+]C[C@@H]2CCC[C@H]2c2ccccc2)CC[NH2+]CC1 ZINC000423153409 500348953 /nfs/dbraw/zinc/34/89/53/500348953.db2.gz GLRVVJXAHIMIFN-IHPCNDPISA-N 2 0 358.526 3.481 20 0 FGADRP CC(C)OCCOC1CC[NH+]([C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000423154087 500349315 /nfs/dbraw/zinc/34/93/15/500349315.db2.gz IQXNSLFVRIAATG-RBBKRZOGSA-N 2 0 374.525 3.148 20 0 FGADRP Fc1ccc(-c2cn3c(n2)CC[C@H]([NH2+]C2C[C@H]4CC[C@@H](C2)[NH2+]4)C3)c(F)c1 ZINC000423157492 500350248 /nfs/dbraw/zinc/35/02/48/500350248.db2.gz VFXZWIHCCHACMD-QGPPMGRFSA-N 2 0 358.436 3.016 20 0 FGADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]C1CCN(Cc2cccc(Br)c2)CC1 ZINC000423193214 500354047 /nfs/dbraw/zinc/35/40/47/500354047.db2.gz VLMKVXATEDYOBK-KGLIPLIRSA-N 2 0 354.336 3.129 20 0 FGADRP Clc1cc(Br)cc(C[NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000423195371 500354278 /nfs/dbraw/zinc/35/42/78/500354278.db2.gz XVYKWQMMMJXHQS-HRCADAONSA-N 2 0 373.722 3.349 20 0 FGADRP [NH3+][C@@H](CC1CCCCC1)C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000423327844 500364489 /nfs/dbraw/zinc/36/44/89/500364489.db2.gz KIJJGSSYPYHLRI-NRFANRHFSA-N 2 0 357.542 3.107 20 0 FGADRP CCc1ccc([C@H]([NH2+]CCCC[NH3+])c2cccc(S(C)(=O)=O)c2)cc1 ZINC000423333707 500364600 /nfs/dbraw/zinc/36/46/00/500364600.db2.gz SCVQSRBPLCIOPQ-FQEVSTJZSA-N 2 0 360.523 3.070 20 0 FGADRP C[NH+](C)[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C1CC1)c1cccc(C(F)(F)F)c1 ZINC000427201803 500366262 /nfs/dbraw/zinc/36/62/62/500366262.db2.gz BZTBYWQSEQLWGL-IRXDYDNUSA-N 2 0 369.431 3.051 20 0 FGADRP Fc1ccc([C@@H]2CC[NH2+]C[C@@H]2N[C@H]2CC[NH2+][C@H](c3ccccc3)C2)cc1F ZINC000423381833 500368583 /nfs/dbraw/zinc/36/85/83/500368583.db2.gz ZTCLHHMTUYKGPN-GPHNJDIKSA-N 2 0 371.475 3.493 20 0 FGADRP CCSc1ccc([C@@H](C)[NH2+]C[C@H](N2CC[NH2+]CC2)C(F)(F)F)cc1 ZINC000423400693 500370611 /nfs/dbraw/zinc/37/06/11/500370611.db2.gz WZUCMTBKTUPKNU-CJNGLKHVSA-N 2 0 361.477 3.285 20 0 FGADRP COCC1(C[NH2+][C@H]2CCc3ccc(Br)cc32)CC[NH2+]CC1 ZINC000423408561 500371607 /nfs/dbraw/zinc/37/16/07/500371607.db2.gz OWWNSADEEPGJCF-INIZCTEOSA-N 2 0 353.304 3.042 20 0 FGADRP C[C@@H]1CN(Cc2ccccn2)CC[C@H]1[NH2+]Cc1cccc2c1CCCN2 ZINC000423408582 500371649 /nfs/dbraw/zinc/37/16/49/500371649.db2.gz ALHPGXHKIKTHBS-DYESRHJHSA-N 2 0 350.510 3.440 20 0 FGADRP COCC1(C[NH2+][C@@H]2CCc3c2cccc3Br)CC[NH2+]CC1 ZINC000423407747 500371986 /nfs/dbraw/zinc/37/19/86/500371986.db2.gz NEFYYSQOZKBKPK-MRXNPFEDSA-N 2 0 353.304 3.042 20 0 FGADRP C[C@@H](CCC[NH3+])[NH2+][C@H]1CCCOc2ccc(I)cc21 ZINC000423456466 500375897 /nfs/dbraw/zinc/37/58/97/500375897.db2.gz NRAPJXKAOBCZBK-FZMZJTMJSA-N 2 0 374.266 3.222 20 0 FGADRP C[C@H]([NH2+][C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)c1cccc(Cl)c1Cl ZINC000423455728 500376032 /nfs/dbraw/zinc/37/60/32/500376032.db2.gz NBIQKEZJKPNCMW-POHZPAGDSA-N 2 0 370.324 3.291 20 0 FGADRP C[N@H+](CCN(Cc1ccccc1)C(=O)C[C@@H]1CC[NH2+]C1)Cc1ccccc1 ZINC000427278975 500376656 /nfs/dbraw/zinc/37/66/56/500376656.db2.gz DXBSADIFFBCROI-QFIPXVFZSA-N 2 0 365.521 3.147 20 0 FGADRP C[C@H]([NH2+]C[C@H]1CCC[C@@H]([NH3+])C1)c1ccccc1I ZINC000423475093 500377340 /nfs/dbraw/zinc/37/73/40/500377340.db2.gz ZUDJPIVOFNBKBA-RWMBFGLXSA-N 2 0 358.267 3.459 20 0 FGADRP Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@H]2[NH2+]CCC[C@H]2CCC[NH2+]2)cc1 ZINC000423482617 500377950 /nfs/dbraw/zinc/37/79/50/500377950.db2.gz PJXVVYZDZOHBFB-MISYRCLQSA-N 2 0 364.555 3.202 20 0 FGADRP Cc1nccn1-c1ccc([C@@H](C)[NH2+]C2CCC([NH+]3CCNCC3)CC2)cc1 ZINC000423509020 500380570 /nfs/dbraw/zinc/38/05/70/500380570.db2.gz LBWKCXZISXAKLH-MDMXATFFSA-N 2 0 367.541 3.048 20 0 FGADRP COc1ccccc1[C@@H](CNC(=O)C[C@@H]1CCC[NH2+]CC1)[NH+]1CCCCC1 ZINC000427319014 500381146 /nfs/dbraw/zinc/38/11/46/500381146.db2.gz DAVIRHUJKMATSH-UYAOXDASSA-N 2 0 373.541 3.118 20 0 FGADRP COc1ccccc1NC(=O)C[C@H](C)[NH2+][C@@H](CCC[NH3+])c1ccccc1 ZINC000423515931 500381413 /nfs/dbraw/zinc/38/14/13/500381413.db2.gz XPWRFQLWSWLGQR-WMZOPIPTSA-N 2 0 355.482 3.482 20 0 FGADRP C[C@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)c1cccc(Br)c1 ZINC000423524502 500381652 /nfs/dbraw/zinc/38/16/52/500381652.db2.gz XGDGPXXJZREXTK-NNGSBXSVSA-N 2 0 366.347 3.316 20 0 FGADRP c1ccc(C[N@@H+]2CC[C@H]([NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@@H]4C3)[C@H]3CCC[C@H]32)cc1 ZINC000423549984 500384101 /nfs/dbraw/zinc/38/41/01/500384101.db2.gz NNLHJZWNWGGFIB-UKIRVEGOSA-N 3 0 353.554 3.407 20 0 FGADRP NC1(C[NH2+][C@@H](c2cncc(F)c2)C2CC2)CC[NH+](Cc2ccccc2)CC1 ZINC000423564057 500384786 /nfs/dbraw/zinc/38/47/86/500384786.db2.gz KXGSEANFGNVWPU-OAQYLSRUSA-N 2 0 368.500 3.255 20 0 FGADRP CC(C)CO[C@@H]1C[C@H]([NH2+]CC2(N)CC[NH+](Cc3ccccc3)CC2)C1(C)C ZINC000423561959 500384970 /nfs/dbraw/zinc/38/49/70/500384970.db2.gz KAHIMZZYLLFRGB-LEWJYISDSA-N 2 0 373.585 3.409 20 0 FGADRP Cc1cc(NC(=O)[C@H]2CCC[N@@H+]2C2CC2)cc(N2CC[NH+](C(C)C)CC2)c1 ZINC000427411763 500390951 /nfs/dbraw/zinc/39/09/51/500390951.db2.gz GMIFPPFUUMVMKZ-OAQYLSRUSA-N 2 0 370.541 3.091 20 0 FGADRP CC[C@@H](C(=O)Nc1ccc2c(c1)C[NH2+]CCO2)[N@H+](C)Cc1ccccc1 ZINC000423651777 500392616 /nfs/dbraw/zinc/39/26/16/500392616.db2.gz QFCWVTCQMXAMMQ-IBGZPJMESA-N 2 0 353.466 3.018 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NCC2CC[NH+](CCC(C)C)CC2)C[C@H]1C ZINC000431653176 500403495 /nfs/dbraw/zinc/40/34/95/500403495.db2.gz YWTMFLNJPQXRMJ-QUCCMNQESA-N 2 0 366.594 3.259 20 0 FGADRP CC(=O)NC1CCC([NH2+]CC[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC000427559392 500405436 /nfs/dbraw/zinc/40/54/36/500405436.db2.gz LZMNKTGQRALMQV-JTVPTGRASA-N 2 0 357.542 3.324 20 0 FGADRP CC[C@@H]1CN(C(=O)C[C@H](C)[C@@H]2CCC[NH2+]C2)CC[N@@H+]1Cc1ccccc1 ZINC000423831417 500408393 /nfs/dbraw/zinc/40/83/93/500408393.db2.gz WBCLPTKCEHDKCD-CEWLAPEOSA-N 2 0 357.542 3.135 20 0 FGADRP CC(C)(C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)[C@@H]([NH3+])c1ccccc1 ZINC000423906265 500418035 /nfs/dbraw/zinc/41/80/35/500418035.db2.gz PWZDCBWWMQDEQC-RLLQIKCJSA-N 2 0 355.526 3.188 20 0 FGADRP CCC[NH+]1CCC(CNC(=O)N[C@@H]2CCCC[C@@H]2C[NH+](CC)CC)CC1 ZINC000431789693 500424971 /nfs/dbraw/zinc/42/49/71/500424971.db2.gz CFRGEHXQEVAPGM-WOJBJXKFSA-N 2 0 366.594 3.308 20 0 FGADRP C[C@@H]1C[C@@H](NC(=O)CC[C@H]2CCCC[NH+]2C)CC[N@@H+]1Cc1ccccc1 ZINC000431852269 500434665 /nfs/dbraw/zinc/43/46/65/500434665.db2.gz VVDSOTOBIUUVCC-HLAWJBBLSA-N 2 0 357.542 3.420 20 0 FGADRP CC[NH+](CC)C[C@H]1CCCC[C@@H]1NC(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000431867495 500436319 /nfs/dbraw/zinc/43/63/19/500436319.db2.gz ZQQILZSOMCQVHR-RTWAWAEBSA-N 2 0 374.573 3.448 20 0 FGADRP CCOc1ccccc1NC(=O)[C@@H](c1ccccc1)N1CC[C@H](C[NH3+])C1 ZINC000420304552 500437293 /nfs/dbraw/zinc/43/72/93/500437293.db2.gz YFFWGCQWJSSNLH-OXQOHEQNSA-N 2 0 353.466 3.046 20 0 FGADRP CC1(CC(=O)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)CCCCC1 ZINC000424017750 500437571 /nfs/dbraw/zinc/43/75/71/500437571.db2.gz HFLHTESQBQAVCJ-UHFFFAOYSA-N 2 0 357.542 3.457 20 0 FGADRP CC(C)(C(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1)c1cccs1 ZINC000424020521 500437724 /nfs/dbraw/zinc/43/77/24/500437724.db2.gz PFNSOXGJLHPFTC-UHFFFAOYSA-N 2 0 371.550 3.135 20 0 FGADRP CC[NH+](CC)[C@@H](C(=O)N(C)CCC[NH2+]C)c1cccc(C(F)(F)F)c1 ZINC000424019460 500437943 /nfs/dbraw/zinc/43/79/43/500437943.db2.gz LRIZMHJJVUOHHP-MRXNPFEDSA-N 2 0 359.436 3.156 20 0 FGADRP C[C@@H](C(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1)c1cccc(F)c1 ZINC000424017775 500437987 /nfs/dbraw/zinc/43/79/87/500437987.db2.gz HICKHLNWYNMJTI-QGZVFWFLSA-N 2 0 369.484 3.039 20 0 FGADRP [NH3+]C1(CNC(=O)CC2CCCCCC2)CC[NH+](Cc2ccccc2)CC1 ZINC000424018827 500437995 /nfs/dbraw/zinc/43/79/95/500437995.db2.gz KKRLKHVXGLERGZ-UHFFFAOYSA-N 2 0 357.542 3.457 20 0 FGADRP COc1ccc([C@H](C[NH3+])C[N@@H+]2CC[C@@H](OCCCc3ccccc3)C2)cc1 ZINC000420307921 500438139 /nfs/dbraw/zinc/43/81/39/500438139.db2.gz RRVZBEURQMUYBO-FYYLOGMGSA-N 2 0 368.521 3.461 20 0 FGADRP C[C@H]1SCC[N@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)[C@H]1c1ccccc1 ZINC000420309902 500438847 /nfs/dbraw/zinc/43/88/47/500438847.db2.gz UIVMUUNRERRXKB-MBPVOVBZSA-N 2 0 356.535 3.096 20 0 FGADRP C[NH+](C)[C@@H](CC(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000431903068 500441446 /nfs/dbraw/zinc/44/14/46/500441446.db2.gz MNKCMZOBCXPAST-YADHBBJMSA-N 2 0 365.521 3.460 20 0 FGADRP O=C(NCc1ccc(N2CCCC2)nc1)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC000431907726 500442062 /nfs/dbraw/zinc/44/20/62/500442062.db2.gz SSIHNPPVPJYCAI-IBGZPJMESA-N 2 0 356.514 3.095 20 0 FGADRP Brc1ccccc1OCC[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420332753 500443316 /nfs/dbraw/zinc/44/33/16/500443316.db2.gz SHWYTTIWRBSKMY-HUUCEWRRSA-N 2 0 353.304 3.149 20 0 FGADRP C[C@@H](NC(=O)C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1)c1ccc2c(c1)CCCC2 ZINC000420337852 500443743 /nfs/dbraw/zinc/44/37/43/500443743.db2.gz KFGZQHHSGGEYET-VGOFRKELSA-N 2 0 369.553 3.207 20 0 FGADRP Cc1ccc([C@H](NC(=O)C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)C2CC2)cc1 ZINC000420336513 500443950 /nfs/dbraw/zinc/44/39/50/500443950.db2.gz ISMKWPLRWZLGKS-IRLDBZIGSA-N 2 0 355.526 3.026 20 0 FGADRP O=C(C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1)N[C@@H](c1ccccc1)C1CCCC1 ZINC000420341849 500445004 /nfs/dbraw/zinc/44/50/04/500445004.db2.gz WHPXBBZUWNWGMV-GGAORHGYSA-N 2 0 369.553 3.498 20 0 FGADRP C[C@@H](c1ccc(OC(F)(F)F)cc1)[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000420340715 500445090 /nfs/dbraw/zinc/44/50/90/500445090.db2.gz UCASENSZZFAQNL-VUCTXSBTSA-N 2 0 358.404 3.474 20 0 FGADRP C[C@H](C(=O)N1CCC[C@@H]1c1cccs1)[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000420345322 500445182 /nfs/dbraw/zinc/44/51/82/500445182.db2.gz VUNBUTHXPZSPBJ-KBAYOESNSA-N 2 0 361.555 3.264 20 0 FGADRP O=C(CC[NH+]1CCC([C@H]2CCC[NH2+]2)CC1)N[C@H]1CCCc2ccccc21 ZINC000420344943 500445452 /nfs/dbraw/zinc/44/54/52/500445452.db2.gz VCFRFFNXVVLNQH-RTWAWAEBSA-N 2 0 355.526 3.034 20 0 FGADRP C[C@H](C(=O)Nc1ccccc1C(F)(F)F)[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000420343899 500445477 /nfs/dbraw/zinc/44/54/77/500445477.db2.gz RQOQQGMRDDXGCT-CZUORRHYSA-N 2 0 369.431 3.496 20 0 FGADRP C[C@H](C(=O)Nc1cc(Cl)ccc1F)[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420344436 500445497 /nfs/dbraw/zinc/44/54/97/500445497.db2.gz SXPVTJPAZCAWTO-MGPQQGTHSA-N 2 0 353.869 3.128 20 0 FGADRP O=C(CC[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)Nc1ccc(Cl)cc1F ZINC000420346939 500446020 /nfs/dbraw/zinc/44/60/20/500446020.db2.gz ZMPMSLODWYFDEN-UONOGXRCSA-N 2 0 353.869 3.129 20 0 FGADRP CCCC[NH+]1CCC(NC(=O)N[C@H]2CCCC[C@@H]2C[NH+](CC)CC)CC1 ZINC000431953941 500447499 /nfs/dbraw/zinc/44/74/99/500447499.db2.gz OMTZETXCDXCRGK-QUCCMNQESA-N 2 0 366.594 3.451 20 0 FGADRP [NH3+]Cc1cn([C@@H]2CCC[N@H+](Cc3sc4ccccc4c3Cl)C2)nn1 ZINC000420370277 500449508 /nfs/dbraw/zinc/44/95/08/500449508.db2.gz CMBBJVXTKPQVGS-CYBMUJFWSA-N 2 0 361.902 3.442 20 0 FGADRP Brc1cccc(OC2CC[NH+](CC[C@@H]3CC[NH2+]C3)CC2)c1 ZINC000420378987 500450990 /nfs/dbraw/zinc/45/09/90/500450990.db2.gz UXIHSVCWVHNTQU-AWEZNQCLSA-N 2 0 353.304 3.292 20 0 FGADRP CO[C@H]1C[C@H]2C[C@H]([NH2+]CCc3ccc(OCC[NH+]4CCCC4)cc3)C[C@H]2C1 ZINC000424275025 500479577 /nfs/dbraw/zinc/47/95/77/500479577.db2.gz AWHVHUVEALGZQH-XBLRLVIHSA-N 2 0 372.553 3.497 20 0 FGADRP C[C@H]1CC2(C[N@@H+]1CC(=O)N[C@H](c1ccccc1)C1CCCC1)CC[NH2+]CC2 ZINC000424289547 500481539 /nfs/dbraw/zinc/48/15/39/500481539.db2.gz LXGSQOWSGDBSOH-PGRDOPGGSA-N 2 0 369.553 3.498 20 0 FGADRP CCN(C[C@@H]1CC[N@H+](C[C@@H](C[NH3+])c2ccc(F)cc2)C1)CC(F)(F)F ZINC000424305497 500484037 /nfs/dbraw/zinc/48/40/37/500484037.db2.gz SLRJLQNFANSHIT-GOEBONIOSA-N 2 0 361.427 3.074 20 0 FGADRP CC(C)O[C@H](C[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1)c1ccccc1 ZINC000428283948 500491298 /nfs/dbraw/zinc/49/12/98/500491298.db2.gz CJIMOGOEZVZOAU-CEMLEFRQSA-N 2 0 359.558 3.111 20 0 FGADRP C[C@H]1CC2(C[N@@H+]1Cc1cnc3ccc(Br)cn13)CC[NH2+]CC2 ZINC000424370336 500492688 /nfs/dbraw/zinc/49/26/88/500492688.db2.gz CEPSFIKFRRUVRT-ZDUSSCGKSA-N 2 0 363.303 3.061 20 0 FGADRP C[C@H](CCc1ccc(I)cc1)[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000424380794 500494177 /nfs/dbraw/zinc/49/41/77/500494177.db2.gz XUHBQSNXMADOBU-DAXOMENPSA-N 2 0 372.294 3.472 20 0 FGADRP COc1ccc(C[N@@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)c(Br)c1O ZINC000424383317 500494917 /nfs/dbraw/zinc/49/49/17/500494917.db2.gz UCHAEOWHQHSVGL-GFCCVEGCSA-N 2 0 369.303 3.127 20 0 FGADRP Cc1cc(N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)c2cc(Cl)cc(C)c2[nH+]1 ZINC000424411365 500499345 /nfs/dbraw/zinc/49/93/45/500499345.db2.gz KPSTVHUVVVFEPS-DLBZAZTESA-N 2 0 355.873 3.170 20 0 FGADRP Cc1cc(C[NH3+])cc(NC(=O)N[C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000424428778 500502780 /nfs/dbraw/zinc/50/27/80/500502780.db2.gz UVTYCFPNHQZICB-PXNSSMCTSA-N 2 0 366.509 3.486 20 0 FGADRP Cc1cc(C[NH3+])cc(NC(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000424427512 500502987 /nfs/dbraw/zinc/50/29/87/500502987.db2.gz PRRUDEXAORDZES-OXJNMPFZSA-N 2 0 352.482 3.096 20 0 FGADRP Cc1cc(C[NH3+])cc(NC(=O)N[C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000424428779 500503103 /nfs/dbraw/zinc/50/31/03/500503103.db2.gz UVTYCFPNHQZICB-XLIONFOSSA-N 2 0 366.509 3.486 20 0 FGADRP Cc1cc(C[NH3+])cc(NC(=O)N[C@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)c1 ZINC000424443271 500506514 /nfs/dbraw/zinc/50/65/14/500506514.db2.gz JYWGPSBSSAZFEO-LPHOPBHVSA-N 2 0 352.482 3.411 20 0 FGADRP CCc1ccc([C@H](CNC(=O)Nc2cc(C)cc(C[NH3+])c2)[NH+](C)C)cc1 ZINC000424443566 500506545 /nfs/dbraw/zinc/50/65/45/500506545.db2.gz KRVOTLLBJRZHMJ-FQEVSTJZSA-N 2 0 354.498 3.441 20 0 FGADRP C[NH+](C)C1CCC(NC(=O)NC[C@H](C2CC2)[N@H+](C)Cc2ccccc2)CC1 ZINC000420838825 500513125 /nfs/dbraw/zinc/51/31/25/500513125.db2.gz RRKQDYHWUFYTQR-XVAXZDLZSA-N 2 0 372.557 3.069 20 0 FGADRP CC[N@@H+]1CCCN(C(=O)NC[C@H](CC(C)C)[NH2+][C@H](C)c2ccccc2)CC1 ZINC000428690802 500544256 /nfs/dbraw/zinc/54/42/56/500544256.db2.gz LSJCOUKOOUOOAF-CTNGQTDRSA-N 2 0 374.573 3.489 20 0 FGADRP Cc1nc2ccc(C[N@H+]3CC[C@@H](N4CC[NH+](C(C)C)CC4)C3)cc2s1 ZINC000576647104 506204818 /nfs/dbraw/zinc/20/48/18/506204818.db2.gz GEOIIQRKHAKBAP-GOSISDBHSA-N 2 0 358.555 3.205 20 0 FGADRP CC(C)[C@@H](C(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCCCC1 ZINC000437043674 500595778 /nfs/dbraw/zinc/59/57/78/500595778.db2.gz VNCCNOQAKMGTMC-VXKWHMMOSA-N 2 0 371.569 3.477 20 0 FGADRP CC[NH+](CC)[C@H](C(=O)N[C@H]1CC[NH2+][C@H](C)C1)c1cccc(C(F)(F)F)c1 ZINC000447514968 500615241 /nfs/dbraw/zinc/61/52/41/500615241.db2.gz AHSOYSJPLXGBRF-COXVUDFISA-N 2 0 371.447 3.345 20 0 FGADRP CCn1cccc(C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c1=O ZINC000433065285 500617424 /nfs/dbraw/zinc/61/74/24/500617424.db2.gz DPKPLWBURYROKN-BHDDXSALSA-N 2 0 365.521 3.259 20 0 FGADRP C[C@H](CNC(=O)CCC[NH+]1CCC([NH3+])CC1)c1c(Cl)cccc1Cl ZINC000433114384 500628943 /nfs/dbraw/zinc/62/89/43/500628943.db2.gz GAPQLOOLHASRHU-CYBMUJFWSA-N 2 0 372.340 3.416 20 0 FGADRP [NH3+]C1CC[NH+](CCCC(=O)NC2c3ccccc3Oc3ccccc32)CC1 ZINC000433118147 500630184 /nfs/dbraw/zinc/63/01/84/500630184.db2.gz QUTVEZJSTUNVBC-UHFFFAOYSA-N 2 0 365.477 3.201 20 0 FGADRP [NH3+]C1CC[NH+](CCCC(=O)NCCCc2ccc(Cl)cc2Cl)CC1 ZINC000433125547 500631505 /nfs/dbraw/zinc/63/15/05/500631505.db2.gz LAUXLZGNGJOMSF-UHFFFAOYSA-N 2 0 372.340 3.246 20 0 FGADRP CC(C)[C@@H](Cc1ccc(F)cc1)N(C)C(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433158119 500636922 /nfs/dbraw/zinc/63/69/22/500636922.db2.gz OTKIRKFTVQMMFV-HXUWFJFHSA-N 2 0 363.521 3.055 20 0 FGADRP Cc1nc(C(C)(C)C)sc1[C@@H](C)[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000442871050 500637157 /nfs/dbraw/zinc/63/71/57/500637157.db2.gz AXDFUWZCVPEUCP-CQSZACIVSA-N 2 0 352.592 3.426 20 0 FGADRP C[C@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)c1ccc(F)c(Br)c1 ZINC000442875957 500637657 /nfs/dbraw/zinc/63/76/57/500637657.db2.gz PYSMBNJDOKKGKT-ZDUSSCGKSA-N 2 0 372.326 3.265 20 0 FGADRP C[C@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)c1nc(-c2ccccc2)cs1 ZINC000442875956 500637891 /nfs/dbraw/zinc/63/78/91/500637891.db2.gz XGIWSRMMPWSZFL-INIZCTEOSA-N 2 0 358.555 3.487 20 0 FGADRP COc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000570682994 506213650 /nfs/dbraw/zinc/21/36/50/506213650.db2.gz WSMQTYFUMIGIDI-CYBMUJFWSA-N 2 0 361.873 3.314 20 0 FGADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)NCCC[NH+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000448214038 500734065 /nfs/dbraw/zinc/73/40/65/500734065.db2.gz PABTYKHVAJKPJU-HSALFYBXSA-N 2 0 366.594 3.022 20 0 FGADRP Cc1ccc(CNC(=O)C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)cc1 ZINC000443598818 500743976 /nfs/dbraw/zinc/74/39/76/500743976.db2.gz FUSPYAGTOALZNL-UHFFFAOYSA-N 2 0 357.542 3.199 20 0 FGADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+]Cc1ccc(Oc2cccc(F)c2)cc1 ZINC000443979517 500786708 /nfs/dbraw/zinc/78/67/08/500786708.db2.gz KPLMTJJVFXOXKL-QGZVFWFLSA-N 2 0 357.473 3.344 20 0 FGADRP O=C(N[C@H]1CCC[N@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH+]1C1CCCC1 ZINC000438582173 500805075 /nfs/dbraw/zinc/80/50/75/500805075.db2.gz SPVOCIQEVFYPRC-FPOVZHCZSA-N 2 0 355.526 3.174 20 0 FGADRP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@@H]([NH3+])Cc2c[nH]c3ccccc23)C1 ZINC000438886175 500831650 /nfs/dbraw/zinc/83/16/50/500831650.db2.gz MGJKCBMYMGUAKS-LPHOPBHVSA-N 2 0 370.541 3.055 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@@H]1C[C@@H]1c1sccc1C ZINC000438909481 500834187 /nfs/dbraw/zinc/83/41/87/500834187.db2.gz DESFMTGRTNOXPC-FGTMMUONSA-N 2 0 363.571 3.035 20 0 FGADRP CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000438961943 500840633 /nfs/dbraw/zinc/84/06/33/500840633.db2.gz QFAMWHTUTFWUDH-FQEVSTJZSA-N 2 0 360.546 3.058 20 0 FGADRP CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000438961946 500840717 /nfs/dbraw/zinc/84/07/17/500840717.db2.gz QFAMWHTUTFWUDH-HXUWFJFHSA-N 2 0 360.546 3.058 20 0 FGADRP CC(C)[C@@H](c1ccc(F)cc1)[N@H+](C)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000434614519 500865634 /nfs/dbraw/zinc/86/56/34/500865634.db2.gz ABMWSBCLFJZIIC-NRFANRHFSA-N 2 0 361.505 3.198 20 0 FGADRP C[C@@H]1CC(C)(C)C[C@H]1[NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000434782003 500894101 /nfs/dbraw/zinc/89/41/01/500894101.db2.gz HKEYJDSHSNYJRA-NSISKUIASA-N 2 0 357.542 3.298 20 0 FGADRP CC(C)[C@H](C[NH2+]C1CCC(OC2CCCC2)CC1)N1CC[NH+](C)CC1 ZINC000449071289 500916893 /nfs/dbraw/zinc/91/68/93/500916893.db2.gz ARHKCUHFONPVNU-MNLRITNHSA-N 2 0 351.579 3.118 20 0 FGADRP CC[NH+]1CCN([C@H](C)C[NH2+]Cc2cnc(-c3ccccc3F)s2)CC1 ZINC000449078968 500919618 /nfs/dbraw/zinc/91/96/18/500919618.db2.gz NBQJHGDVXLMPOK-OAHLLOKOSA-N 2 0 362.518 3.065 20 0 FGADRP CCn1nnc(C)c1C[NH2+]Cc1ccc(C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000449081081 500919716 /nfs/dbraw/zinc/91/97/16/500919716.db2.gz BPKGLZAPEWIPEI-IAGOWNOFSA-N 2 0 355.530 3.374 20 0 FGADRP CC[NH+]1CCN([C@H](C)C[NH2+]C2CC[NH+](C(C)(C)CC(C)(C)C)CC2)CC1 ZINC000449079780 500919773 /nfs/dbraw/zinc/91/97/73/500919773.db2.gz PXUUIJZSSCYCSJ-LJQANCHMSA-N 3 0 366.638 3.281 20 0 FGADRP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]CCC(=O)N2CCCCC2)CC1 ZINC000449089873 500922504 /nfs/dbraw/zinc/92/25/04/500922504.db2.gz LNIFKMMPGIRPFT-LJQANCHMSA-N 2 0 357.542 3.074 20 0 FGADRP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@@H]2CCC[C@H](C(=O)N(C)C)C2)CC1 ZINC000449156351 500936845 /nfs/dbraw/zinc/93/68/45/500936845.db2.gz SGOHEPWGAJAWMY-KAGYGMCKSA-N 2 0 371.569 3.319 20 0 FGADRP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]CCCOC[C@@H]2CCOC2)CC1 ZINC000449162892 500937776 /nfs/dbraw/zinc/93/77/76/500937776.db2.gz KKQHKBXPMFQHKM-CTNGQTDRSA-N 2 0 360.542 3.115 20 0 FGADRP C[C@H](C[NH2+]CC[C@H](C)[NH+]1CCCCC1)c1ccc(S(C)(=O)=O)cc1 ZINC000449239143 500955517 /nfs/dbraw/zinc/95/55/17/500955517.db2.gz IEPAQJXQEBKCDU-SJORKVTESA-N 2 0 352.544 3.048 20 0 FGADRP COc1cc(C[NH+]2CCC([C@H](C)[NH3+])CC2)ccc1OCc1ccncc1 ZINC000435372601 500961422 /nfs/dbraw/zinc/96/14/22/500961422.db2.gz KHZFHWXASHMLHP-INIZCTEOSA-N 2 0 355.482 3.228 20 0 FGADRP COc1ccc(C(=O)Nc2cccc(C[N@H+](C)CC(C)(C)C[NH3+])c2)cc1 ZINC000435372919 500961641 /nfs/dbraw/zinc/96/16/41/500961641.db2.gz LKYIFBLTFOJAAV-UHFFFAOYSA-N 2 0 355.482 3.364 20 0 FGADRP COc1cc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)ccc1OCc1ccccc1 ZINC000435379198 500963728 /nfs/dbraw/zinc/96/37/28/500963728.db2.gz LNDRSDPNURCVAN-SLFFLAALSA-N 2 0 352.478 3.443 20 0 FGADRP COc1cccc(-c2nn(C(C)(C)C)cc2C[N@@H+]2CCC[C@@H](C[NH3+])C2)c1 ZINC000435384510 500964855 /nfs/dbraw/zinc/96/48/55/500964855.db2.gz MYNMGIPZLMTWCC-INIZCTEOSA-N 2 0 356.514 3.484 20 0 FGADRP Cc1cc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cc(C)c1OCc1ccccn1 ZINC000435391635 500966857 /nfs/dbraw/zinc/96/68/57/500966857.db2.gz SXBFZXYHVKFDMY-SESVDKBCSA-N 2 0 351.494 3.447 20 0 FGADRP CCn1ccnc1C[N@H+](C[C@@H](C)CC1CCOCC1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435425250 500972775 /nfs/dbraw/zinc/97/27/75/500972775.db2.gz YIMFFLUKKAQTOO-AZUAARDMSA-N 2 0 374.573 3.300 20 0 FGADRP O=C(NC1CC[NH+](CCc2ccccc2)CC1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000440104428 500975148 /nfs/dbraw/zinc/97/51/48/500975148.db2.gz LRYQVWJAIXSXJW-QFIPXVFZSA-N 2 0 369.553 3.217 20 0 FGADRP CCOc1cc(C[N@H+](C)[C@@H]2CCC[NH2+]CC2)cc(Br)c1OC ZINC000435434610 500975867 /nfs/dbraw/zinc/97/58/67/500975867.db2.gz YUPDSWKXNYGTAZ-CQSZACIVSA-N 2 0 371.319 3.430 20 0 FGADRP COCC1(C[NH2+]C2CC[NH+]([C@H](C)Cc3ccccc3)CC2)CCOCC1 ZINC000449334757 500980184 /nfs/dbraw/zinc/98/01/84/500980184.db2.gz GNXFNBMUYXEKOH-LJQANCHMSA-N 2 0 360.542 3.115 20 0 FGADRP C[C@H]([NH2+][C@H]1CCO[C@H](c2cncn2C)C1)c1nc(C(F)(F)F)cs1 ZINC000435538784 500989297 /nfs/dbraw/zinc/98/92/97/500989297.db2.gz YVXLNLBELTXTCD-NHCYSSNCSA-N 2 0 360.405 3.466 20 0 FGADRP CCOc1ccccc1[C@@H](CC)NC(=O)CN(CC)[C@H]1CCC[NH2+]CC1 ZINC000435629451 501004821 /nfs/dbraw/zinc/00/48/21/501004821.db2.gz XLLZEVAJHLKWSA-PKOBYXMFSA-N 2 0 361.530 3.117 20 0 FGADRP COc1cccc(CCC[N@H+](Cc2nccn2C)[C@@H]2CC23CC[NH2+]CC3)c1 ZINC000435696656 501013507 /nfs/dbraw/zinc/01/35/07/501013507.db2.gz UVVWYVWZRYPQIL-HXUWFJFHSA-N 2 0 368.525 3.006 20 0 FGADRP CCC[NH+]1CCN(c2ccccc2C[NH2+][C@@H]([C@@H](CO)C2CC2)C2CC2)CC1 ZINC000449503963 501019520 /nfs/dbraw/zinc/01/95/20/501019520.db2.gz IOSCKZJGCLXOJQ-JTHBVZDNSA-N 2 0 371.569 3.105 20 0 FGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N(CC)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000440538763 501020926 /nfs/dbraw/zinc/02/09/26/501020926.db2.gz RPOMDJASFIBYIM-RTWAWAEBSA-N 2 0 357.542 3.231 20 0 FGADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@@H]2CCO[C@H](c3nccn3C)C2)CC1 ZINC000449781067 501084709 /nfs/dbraw/zinc/08/47/09/501084709.db2.gz ZGSFFTSCYWFIOP-LMCOJAPRSA-N 2 0 360.546 3.273 20 0 FGADRP CC1(C)[C@@H]2OCCC[C@@H]2[C@]1([NH3+])C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000446266009 501096656 /nfs/dbraw/zinc/09/66/56/501096656.db2.gz SXAXUZIXMYPJEG-JQVVWYNYSA-N 2 0 371.525 3.144 20 0 FGADRP C[C@H](C[NH+]1CCC[C@@H]([C@H]2CCOC2)C1)C[N@@H+]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000441200282 501102358 /nfs/dbraw/zinc/10/23/58/501102358.db2.gz CCLDNAOGIFKIBI-QGJCJDORSA-N 2 0 364.574 3.120 20 0 FGADRP C[C@H](C[NH+]1CCC[C@@H]([C@@H]2CCOC2)C1)C[N@@H+]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000441200283 501102726 /nfs/dbraw/zinc/10/27/26/501102726.db2.gz CCLDNAOGIFKIBI-QMCAAQAGSA-N 2 0 364.574 3.120 20 0 FGADRP C[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+][C@H]2CC[C@@H](C(=O)N3CCCC3)C2)CC1 ZINC000436305342 501104815 /nfs/dbraw/zinc/10/48/15/501104815.db2.gz GEHHFXBGTBUOQW-IZZBFERCSA-N 2 0 361.574 3.410 20 0 FGADRP C[N@@H+]1CCN(CC[NH2+]Cc2ccc(Cl)c(Br)c2)CC1(C)C ZINC000441352138 501125708 /nfs/dbraw/zinc/12/57/08/501125708.db2.gz KCLVDDBIJWMSTP-UHFFFAOYSA-N 2 0 374.754 3.218 20 0 FGADRP CC[NH+]1CCN(Cc2ccc(C[NH2+][C@@H](COC)C3CCCC3)cc2)CC1 ZINC000446746073 501160212 /nfs/dbraw/zinc/16/02/12/501160212.db2.gz VYHUMNXVPYEBRU-QFIPXVFZSA-N 2 0 359.558 3.119 20 0 FGADRP C=Cn1cc(C[NH2+]CCc2ccc(OCC[NH+]3C[C@@H](C)[C@H](C)C3)cc2)cn1 ZINC000446816707 501168418 /nfs/dbraw/zinc/16/84/18/501168418.db2.gz GSIQWARSXPBWPZ-RTBURBONSA-N 2 0 368.525 3.283 20 0 FGADRP CC[NH+]1CCC(CC[NH2+][C@@H](CCn2cncn2)c2ccc(OC)cc2)CC1 ZINC000446825866 501168855 /nfs/dbraw/zinc/16/88/55/501168855.db2.gz FGAGHBJVQBYJPG-NRFANRHFSA-N 2 0 371.529 3.130 20 0 FGADRP c1ccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH2+]CC4CC[NH+](C5CC5)CC4)[C@H]3C2)cc1 ZINC000446882386 501176892 /nfs/dbraw/zinc/17/68/92/501176892.db2.gz DHYXHFHSMXTDSY-ACIOBRDBSA-N 3 0 353.554 3.361 20 0 FGADRP CO[C@H](C[NH2+][C@H]1CCN(Cc2ccccn2)C[C@@H]1C)Cc1ccccc1 ZINC000450829220 501214606 /nfs/dbraw/zinc/21/46/06/501214606.db2.gz NSHCWFHFYAKNMR-NYVOZVTQSA-N 2 0 353.510 3.139 20 0 FGADRP C[NH+](C)Cc1ccc(CNC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)cc1F ZINC000450301226 501229408 /nfs/dbraw/zinc/22/94/08/501229408.db2.gz SXZZVUHKQQSYTF-FQEVSTJZSA-N 2 0 361.505 3.301 20 0 FGADRP CC[NH+]1CCN([C@@H]2CCN(c3cc[nH+]c4ccc(OC(C)C)cc43)C2)CC1 ZINC000450317991 501232551 /nfs/dbraw/zinc/23/25/51/501232551.db2.gz METPFWILLAGQBJ-GOSISDBHSA-N 2 0 368.525 3.238 20 0 FGADRP C[C@H]([NH2+]C[C@H]1CCCN1C)c1ccc(F)c(I)c1 ZINC000453064812 501261683 /nfs/dbraw/zinc/26/16/83/501261683.db2.gz GZSYCALZHOTHFR-CMPLNLGQSA-N 2 0 362.230 3.175 20 0 FGADRP CCC(CC)[C@@H](CNC(=O)NCc1ccc2c[nH+]cn2c1)[NH+]1CCCC1 ZINC000457610608 501267844 /nfs/dbraw/zinc/26/78/44/501267844.db2.gz KBVRKPRILFFFQC-LJQANCHMSA-N 2 0 357.502 3.034 20 0 FGADRP CCC[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1)C1CCC1 ZINC000453108010 501270977 /nfs/dbraw/zinc/27/09/77/501270977.db2.gz JZKDOEKQBDLUQQ-SFTDATJTSA-N 2 0 357.542 3.442 20 0 FGADRP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(C[NH2+][C@@H](C3CC3)C3CCC3)c2)C1 ZINC000453109350 501271209 /nfs/dbraw/zinc/27/12/09/501271209.db2.gz MHVYLSILEQZIHO-NHCUHLMSSA-N 2 0 355.526 3.052 20 0 FGADRP c1nnc(C2CC2)n1CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000453148061 501279103 /nfs/dbraw/zinc/27/91/03/501279103.db2.gz QRPIFLDPVXDVHJ-ACRUOGEOSA-N 2 0 365.525 3.188 20 0 FGADRP CC[C@H](CC(F)F)C(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000457670608 501283165 /nfs/dbraw/zinc/28/31/65/501283165.db2.gz NMORBYAUCRIERJ-NXHRZFHOSA-N 2 0 373.532 3.463 20 0 FGADRP COC(=O)[C@H]1CC[C@@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)C1 ZINC000453218860 501293073 /nfs/dbraw/zinc/29/30/73/501293073.db2.gz NUUCYZQLIJQSQK-QSUVIHHLSA-N 2 0 356.510 3.361 20 0 FGADRP CC(C)[NH+]1CCC(NC(=O)N2CCC(C[NH+]3CCCCCC3)CC2)CC1 ZINC000611654674 506245524 /nfs/dbraw/zinc/24/55/24/506245524.db2.gz DIZWOHNECGUFCC-UHFFFAOYSA-N 2 0 364.578 3.157 20 0 FGADRP CCn1ccnc1[C@@H](C)NC(=O)N1CCC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000455477665 501313690 /nfs/dbraw/zinc/31/36/90/501313690.db2.gz UMKKZXUZJVIRAE-ZWKOTPCHSA-N 2 0 369.513 3.270 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCO[C@@H](c3ccncc3)C2)[C@H](C)C1 ZINC000453361084 501320198 /nfs/dbraw/zinc/32/01/98/501320198.db2.gz QGTGXOKUTMKJAM-AYWYSENESA-N 2 0 361.530 3.028 20 0 FGADRP C[C@@H]1CN(C(=O)NCCCC[NH+](C)C2CC2)[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC000455626465 501350498 /nfs/dbraw/zinc/35/04/98/501350498.db2.gz YKNDBIFRXBMCGA-MOPGFXCFSA-N 2 0 372.557 3.165 20 0 FGADRP C[N@H+](CCCC[NH2+]Cc1cc2c(cc1Br)OCO2)C1CC1 ZINC000453601666 501358612 /nfs/dbraw/zinc/35/86/12/501358612.db2.gz VCQKNLIBSARFPV-UHFFFAOYSA-N 2 0 355.276 3.142 20 0 FGADRP Cc1cccc([C@@H]2CCC[N@@H+]2CC(=O)NC2CC[NH+](C3CC3)CC2)c1C ZINC000607736054 506248402 /nfs/dbraw/zinc/24/84/02/506248402.db2.gz GTYWONFMAJNLIK-NRFANRHFSA-N 2 0 355.526 3.183 20 0 FGADRP C[NH+](C)CC(C)(C)NC(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000458111211 501374257 /nfs/dbraw/zinc/37/42/57/501374257.db2.gz PEMTVPCTJXDMMU-UHFFFAOYSA-N 2 0 360.546 3.202 20 0 FGADRP C[NH+](C)[C@H]1CCc2cc(NC(=O)NCC3CC[NH+](C4CC4)CC3)ccc21 ZINC000455854030 501400333 /nfs/dbraw/zinc/40/03/33/501400333.db2.gz MVMULPHFYBYPFL-FQEVSTJZSA-N 2 0 356.514 3.231 20 0 FGADRP C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000455868711 501403336 /nfs/dbraw/zinc/40/33/36/501403336.db2.gz VYZSCEMJUWZWJJ-CDHQVMDDSA-N 2 0 356.514 3.326 20 0 FGADRP C[NH+](C)CCOc1ccc(NC(=O)c2cccc(C[NH+](C)C)c2)cc1F ZINC000458289409 501412983 /nfs/dbraw/zinc/41/29/83/501412983.db2.gz MEZDGYBMFPBHMB-UHFFFAOYSA-N 2 0 359.445 3.080 20 0 FGADRP CC[NH+]1CCN(CC(C)(C)[NH2+]C[C@H](OC)c2ccc(Cl)cc2)CC1 ZINC000451989330 501414457 /nfs/dbraw/zinc/41/44/57/501414457.db2.gz QAYZBLMVVPWTNS-SFHVURJKSA-N 2 0 353.938 3.033 20 0 FGADRP C[C@H]([NH2+]C(C)(C)CNC(=O)NC1CC[NH+](C2CCC2)CC1)c1ccccc1 ZINC000458374641 501430153 /nfs/dbraw/zinc/43/01/53/501430153.db2.gz OQNJUKZZORYHSI-KRWDZBQOSA-N 2 0 372.557 3.432 20 0 FGADRP CCC(CC)(CNC(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1)[NH2+][C@H](C)c1ccccc1 ZINC000458377974 501431286 /nfs/dbraw/zinc/43/12/86/501431286.db2.gz RRXBIHHTMLZAKJ-YZGWKJHDSA-N 2 0 372.557 3.242 20 0 FGADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)N(CC[NH+](C)C)Cc1ccsc1 ZINC000458449827 501446768 /nfs/dbraw/zinc/44/67/68/501446768.db2.gz YVVUVBOEWPWSAP-SFHVURJKSA-N 2 0 366.575 3.086 20 0 FGADRP C[C@@H]1CN(C(=O)c2ccc(C[NH+]3CCCCC3)cc2)CC[N@@H+](C2CC2)C1 ZINC000452177162 501454218 /nfs/dbraw/zinc/45/42/18/501454218.db2.gz WSAMOBNUFWSCHP-SFHVURJKSA-N 2 0 355.526 3.229 20 0 FGADRP C[NH+](C)CCCC(C)(C)NC(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000458501245 501460158 /nfs/dbraw/zinc/46/01/58/501460158.db2.gz SSXVCWVBZREWQL-UHFFFAOYSA-N 2 0 352.567 3.203 20 0 FGADRP C[C@@H]1CN(C(=O)c2ccccc2C[NH+](C)C)CC[N@H+](Cc2ccccc2)C1 ZINC000456353605 501507772 /nfs/dbraw/zinc/50/77/72/501507772.db2.gz ZQFDWLCNTVRXJX-IBGZPJMESA-N 2 0 365.521 3.342 20 0 FGADRP CC[N@H+](CCNC(=O)NCc1ccc(C[NH+]2CCC[C@H](C)C2)cc1)C(C)C ZINC000588276173 506257577 /nfs/dbraw/zinc/25/75/77/506257577.db2.gz KOXHLMRZTGLKNY-IBGZPJMESA-N 2 0 374.573 3.448 20 0 FGADRP CCn1ccnc1[C@H](C)NC(=O)N[C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000454761386 501624093 /nfs/dbraw/zinc/62/40/93/501624093.db2.gz FANDPGNPKGASLV-AOIWGVFYSA-N 2 0 369.513 3.174 20 0 FGADRP C[C@@H]1CN(c2ccccc2C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)CCO1 ZINC000459363554 501639604 /nfs/dbraw/zinc/63/96/04/501639604.db2.gz RJDYXVXNOPAGEW-KKLQWCBXSA-N 2 0 369.553 3.360 20 0 FGADRP CC(C)(C)NC(=O)C[NH+]1CCC(C[NH2+]CCc2ccc(Cl)cc2)CC1 ZINC000459435609 501653412 /nfs/dbraw/zinc/65/34/12/501653412.db2.gz WBFUUWDLAJNZLV-UHFFFAOYSA-N 2 0 365.949 3.099 20 0 FGADRP O[C@@]1(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)CCC[C@H](C(F)(F)F)C1 ZINC000459518445 501668298 /nfs/dbraw/zinc/66/82/98/501668298.db2.gz RIUILFXHEIFIQS-YOEHRIQHSA-N 2 0 357.420 3.124 20 0 FGADRP OCCOCC[N@@H+]1CCCCC[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000459525398 501669710 /nfs/dbraw/zinc/66/97/10/501669710.db2.gz MXPZQUHGIZNQFB-JOCHJYFZSA-N 2 0 360.542 3.152 20 0 FGADRP CC(C)[NH+]1CCN(CCC[NH2+][C@@H](c2ccccc2)C2(CO)CCCC2)CC1 ZINC000459532947 501671416 /nfs/dbraw/zinc/67/14/16/501671416.db2.gz DUELOCBJPSJZFR-QFIPXVFZSA-N 2 0 373.585 3.286 20 0 FGADRP CC1CC[NH+](CCc2cccc(NC(=O)NC(C)(C)C[NH+](C)C)c2)CC1 ZINC000455062019 501680961 /nfs/dbraw/zinc/68/09/61/501680961.db2.gz QLLYTGFTHWJJTP-UHFFFAOYSA-N 2 0 360.546 3.423 20 0 FGADRP COc1ccc(C[NH2+]CC[C@H]2CCC[N@H+](C)C2)c(OCc2cccnc2)c1 ZINC000459727080 501704869 /nfs/dbraw/zinc/70/48/69/501704869.db2.gz CEKGIVZFCPWLDN-GOSISDBHSA-N 2 0 369.509 3.491 20 0 FGADRP COc1ccc(C[NH2+]CC[C@@H]2CCC[N@H+](C)C2)cc1OCc1cccnc1 ZINC000459736673 501706321 /nfs/dbraw/zinc/70/63/21/501706321.db2.gz QJVGJTYKFGZDEO-SFHVURJKSA-N 2 0 369.509 3.491 20 0 FGADRP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C1(C[NH+](C)C)CCCCC1 ZINC000460124895 501732812 /nfs/dbraw/zinc/73/28/12/501732812.db2.gz NIBXTIFXCMGQHW-NRFANRHFSA-N 2 0 371.569 3.479 20 0 FGADRP CC[NH+]1CCN(c2ccc(NC(=O)CC[C@H]3CCCC[N@@H+]3C)c(C)c2)CC1 ZINC000477645645 501748649 /nfs/dbraw/zinc/74/86/49/501748649.db2.gz PHIXSAJJBRTNDT-LJQANCHMSA-N 2 0 372.557 3.340 20 0 FGADRP CCCC[N@H+](C)C[C@H](C)NC(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000460178189 501750338 /nfs/dbraw/zinc/75/03/38/501750338.db2.gz VEFURZXGJUQMCS-IBGZPJMESA-N 2 0 374.573 3.113 20 0 FGADRP C[NH+](C)CCN(Cc1ccccc1)C(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000611717697 506271369 /nfs/dbraw/zinc/27/13/69/506271369.db2.gz IRKIHUDLZGEQFI-UHFFFAOYSA-N 2 0 374.573 3.414 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccc(OC2CCC2)cc1 ZINC000463631930 501779953 /nfs/dbraw/zinc/77/99/53/501779953.db2.gz WICNQLXOYSUWLP-IBGZPJMESA-N 2 0 373.541 3.106 20 0 FGADRP Cc1nn(C(C)C)cc1C[NH+]1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000467456359 501798861 /nfs/dbraw/zinc/79/88/61/501798861.db2.gz JWVDDELBJROHKS-HDICACEKSA-N 2 0 362.562 3.484 20 0 FGADRP C[NH+](C)[C@H](CNC(=O)C[N@@H+]1CCC[C@]2(CC=CCC2)C1)c1ccccc1 ZINC000460378492 501809269 /nfs/dbraw/zinc/80/92/69/501809269.db2.gz CIHPSSLPOCSCEB-IFMALSPDSA-N 2 0 355.526 3.228 20 0 FGADRP C[C@@H]([NH2+]C1(CNC(=O)NCC[N@H+]2CC=CCC2)CCCC1)c1ccccc1 ZINC000474370719 501809554 /nfs/dbraw/zinc/80/95/54/501809554.db2.gz WLTLQEBQPISVLE-LJQANCHMSA-N 2 0 370.541 3.211 20 0 FGADRP CCOc1ccccc1NC(=O)CC[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000485425748 501818068 /nfs/dbraw/zinc/81/80/68/501818068.db2.gz IWOSAGCGKLODNA-GOSISDBHSA-N 2 0 359.514 3.078 20 0 FGADRP C[C@@H](C(=O)NCC1([NH+]2CCSCC2)CCCCC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000485427343 501818996 /nfs/dbraw/zinc/81/89/96/501818996.db2.gz CFYMVQLLNPXIRP-KSZLIROESA-N 2 0 367.603 3.116 20 0 FGADRP CC[C@H](C)NC(=O)[C@H](C)[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000485479897 501833043 /nfs/dbraw/zinc/83/30/43/501833043.db2.gz WZZYCIHVWHPIKD-OALUTQOASA-N 2 0 357.542 3.278 20 0 FGADRP CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+]CC(C)(C)C[NH+]2CCCC2)cc1 ZINC000477932989 501833367 /nfs/dbraw/zinc/83/33/67/501833367.db2.gz QXUZDNVOKWWCPX-INIZCTEOSA-N 2 0 367.559 3.221 20 0 FGADRP CC(C)[C@H](C[NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)c1ccccc1 ZINC000474478252 501849922 /nfs/dbraw/zinc/84/99/22/501849922.db2.gz OSTJGQQYYAWZPR-NRFANRHFSA-N 2 0 352.526 3.363 20 0 FGADRP CCCC[N@H+](C)C[C@H](C)NC(=O)N[C@H](C)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000460652959 501886469 /nfs/dbraw/zinc/88/64/69/501886469.db2.gz XQDUFRQYZIHUKV-KSZLIROESA-N 2 0 352.567 3.059 20 0 FGADRP OC1CC[NH+](Cc2ccc(C[NH2+][C@@H]3CCC[C@H]([C@@H]4CCOC4)C3)cc2)CC1 ZINC000464071298 501890325 /nfs/dbraw/zinc/89/03/25/501890325.db2.gz XAVZJAPGKLAIBJ-BHDDXSALSA-N 2 0 372.553 3.328 20 0 FGADRP Cc1ccc([C@H]2CC[N@@H+](CC(=O)NC3CC[NH+](C(C)C)CC3)C2)c(C)c1 ZINC000471019570 501892519 /nfs/dbraw/zinc/89/25/19/501892519.db2.gz BLHNVHPOTIFQTR-IBGZPJMESA-N 2 0 357.542 3.082 20 0 FGADRP C[C@@H]1CC[C@H](C)N1CC(=O)Nc1nc(CN2CCC[C@H](C)C2)cs1 ZINC000467985604 501921683 /nfs/dbraw/zinc/92/16/83/501921683.db2.gz SUEIWOLSEIVDLA-SOUVJXGZSA-N 2 0 350.532 3.186 20 0 FGADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)N(CC[NH+](C)C)C2CCCC2)C1 ZINC000468048127 501940220 /nfs/dbraw/zinc/94/02/20/501940220.db2.gz DYGIRSFIZLIXTO-QUCCMNQESA-N 2 0 372.557 3.338 20 0 FGADRP Cc1ccc([C@@H](CNC(=O)N(CC[NH+](C)C)C2CCCC2)[NH+](C)C)cc1 ZINC000468061279 501943337 /nfs/dbraw/zinc/94/33/37/501943337.db2.gz KRLSTJVGLFRQLT-HXUWFJFHSA-N 2 0 360.546 3.114 20 0 FGADRP O=C(N[C@@H]1CC[N@H+](CC2CCCC2)C1)[C@H]1CCC[NH+]1Cc1ccccc1 ZINC000464327706 501956099 /nfs/dbraw/zinc/95/60/99/501956099.db2.gz FJLWVSDBGJMJJI-NHCUHLMSSA-N 2 0 355.526 3.032 20 0 FGADRP CC(C)[C@H](C(=O)NCc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1)[NH+](C)C ZINC000471216764 501958827 /nfs/dbraw/zinc/95/88/27/501958827.db2.gz RRTITAWTJCUXPX-LVCYWYKZSA-N 2 0 359.558 3.367 20 0 FGADRP CNC(=O)C[C@@H]([NH2+][C@H](C)c1cccc(OCC[NH+](C)C)c1)c1ccccc1 ZINC000482075616 501966135 /nfs/dbraw/zinc/96/61/35/501966135.db2.gz XKJSQYWDFUIKCJ-DYESRHJHSA-N 2 0 369.509 3.155 20 0 FGADRP CNC(=O)C[C@H]([NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1)c1ccccc1 ZINC000482075621 501966659 /nfs/dbraw/zinc/96/66/59/501966659.db2.gz XKJSQYWDFUIKCJ-UWJYYQICSA-N 2 0 369.509 3.155 20 0 FGADRP CC(C)CC[NH+]1CCC(CNC(=O)NCC(C)(C)C[NH+]2CCCC2)CC1 ZINC000478419891 501976842 /nfs/dbraw/zinc/97/68/42/501976842.db2.gz YOJZXJPLSLISJA-UHFFFAOYSA-N 2 0 366.594 3.166 20 0 FGADRP CCOC(=O)C1(C)CCC([NH2+]Cc2ccc(C[NH+](C)C)c(F)c2)CC1 ZINC000474879696 501978967 /nfs/dbraw/zinc/97/89/67/501978967.db2.gz NOHJGVMSICIUPC-UHFFFAOYSA-N 2 0 350.478 3.489 20 0 FGADRP C[C@H]1Cc2ccccc2[C@H]1[NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000482115833 501979605 /nfs/dbraw/zinc/97/96/05/501979605.db2.gz UDPWCWDWSPBRFN-AVRDEDQJSA-N 2 0 350.510 3.117 20 0 FGADRP c1cc2c(s1)CCC[C@@H]2[NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000482121808 501980785 /nfs/dbraw/zinc/98/07/85/501980785.db2.gz OMIYPBVKMAZERH-IBGZPJMESA-N 2 0 356.539 3.322 20 0 FGADRP C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000478738684 502072346 /nfs/dbraw/zinc/07/23/46/502072346.db2.gz KPSDKCLQFIMDHH-RXVVDRJESA-N 2 0 370.541 3.051 20 0 FGADRP Cc1cccc([C@H]2CC[N@@H+](CC(=O)NC[C@H](c3ccccc3)[NH+](C)C)C2)c1 ZINC000475141658 502077602 /nfs/dbraw/zinc/07/76/02/502077602.db2.gz VRHOBGDYRAEYKL-FCHUYYIVSA-N 2 0 365.521 3.203 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000478759811 502078007 /nfs/dbraw/zinc/07/80/07/502078007.db2.gz JIDXUPPWGGRBAA-GOSISDBHSA-N 2 0 352.567 3.062 20 0 FGADRP CCCN(CCC[NH+](C)C)C(=O)N[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000468532961 502094980 /nfs/dbraw/zinc/09/49/80/502094980.db2.gz RPYRYDVBDOAUOQ-QUCCMNQESA-N 2 0 360.546 3.195 20 0 FGADRP O=C(NCC[N@@H+]1CCc2ccccc2C1)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000468568830 502109570 /nfs/dbraw/zinc/10/95/70/502109570.db2.gz YTHUWDANCVSQRS-UHFFFAOYSA-N 2 0 372.472 3.035 20 0 FGADRP CNC(=O)c1ccc(C[N@@H+]2CCCC[C@H]2[C@@H](C[NH3+])Cc2ccccc2)cc1 ZINC000471833953 502148794 /nfs/dbraw/zinc/14/87/94/502148794.db2.gz DCPIPHHAXPWTIM-YADHBBJMSA-N 2 0 365.521 3.218 20 0 FGADRP CCc1cc(NC(=O)N(CC[NH+](C)C)C[C@H]2CCC[N@H+]2CC)ccc1F ZINC000486439673 502154548 /nfs/dbraw/zinc/15/45/48/502154548.db2.gz YPVRMCUEPGBKSY-GOSISDBHSA-N 2 0 364.509 3.268 20 0 FGADRP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+][C@@H]1CCCc2nn(-c3ccccc3)cc21 ZINC000479071688 502154891 /nfs/dbraw/zinc/15/48/91/502154891.db2.gz SYANPPBZVLVRJW-PZJWPPBQSA-N 2 0 368.525 3.076 20 0 FGADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)N[C@H]2CC[NH+]([C@@H](C)c3ccccc3)C2)C1 ZINC000464955441 502155797 /nfs/dbraw/zinc/15/57/97/502155797.db2.gz UNLPVGYBLCGONA-ZVDOUQERSA-N 2 0 372.557 3.099 20 0 FGADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]CC1(N2CCOC(C)(C)C2)CCCCC1 ZINC000482725271 502162733 /nfs/dbraw/zinc/16/27/33/502162733.db2.gz VGLYHMYRHLMZEU-QRVBRYPASA-N 2 0 351.579 3.118 20 0 FGADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1ccc(N2CCCCC2)cc1 ZINC000471961457 502183981 /nfs/dbraw/zinc/18/39/81/502183981.db2.gz SDUYRSUXIJYAGC-UHFFFAOYSA-N 2 0 374.573 3.023 20 0 FGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]C[C@@H](O)CCC(C)C)CC1 ZINC000482813200 502186959 /nfs/dbraw/zinc/18/69/59/502186959.db2.gz STRWUEWTIOPGJL-MJGOQNOKSA-N 2 0 365.537 3.415 20 0 FGADRP CC[NH+](CC)Cc1cccc(CNC(=O)[C@@H](C[NH3+])c2ccc(F)cc2)c1 ZINC000479221165 502196250 /nfs/dbraw/zinc/19/62/50/502196250.db2.gz IJSHEXVWLLHYGK-FQEVSTJZSA-N 2 0 357.473 3.026 20 0 FGADRP CCC(CC)[C@H](CNC(=O)NC[C@H]1CC[N@H+](CC(C)C)C1)[NH+]1CCCC1 ZINC000465216815 502216861 /nfs/dbraw/zinc/21/68/61/502216861.db2.gz VYSAPOWRKDGDGM-QUCCMNQESA-N 2 0 366.594 3.164 20 0 FGADRP CCc1ccc([C@@H](CNC(=O)NC[C@@H]2CC[N@H+](CC(C)C)C2)[NH+](C)C)cc1 ZINC000465221498 502219296 /nfs/dbraw/zinc/21/92/96/502219296.db2.gz PWRDVOYMIUGVBC-PZJWPPBQSA-N 2 0 374.573 3.129 20 0 FGADRP CCN(CCC[NH+]1CCCC1)C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000472089874 502227571 /nfs/dbraw/zinc/22/75/71/502227571.db2.gz XFZQUFPMCJCLKH-PZJWPPBQSA-N 2 0 372.557 3.024 20 0 FGADRP O=C(N[C@@H]1CC[N@H+](CC2CCCC2)C1)[C@@H]1CCCCN1Cc1ccccc1 ZINC000468915304 502228406 /nfs/dbraw/zinc/22/84/06/502228406.db2.gz KKBNFMHKNPBDNA-YADHBBJMSA-N 2 0 369.553 3.422 20 0 FGADRP CCN(CCC[NH+]1CCCC1)C(=O)N[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000472110107 502235139 /nfs/dbraw/zinc/23/51/39/502235139.db2.gz HMEBYFWBMLPWCT-PZJWPPBQSA-N 2 0 372.557 3.339 20 0 FGADRP CCc1ccc([C@H](CNC(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)[NH+](C)C)cc1 ZINC000465431616 502258841 /nfs/dbraw/zinc/25/88/41/502258841.db2.gz KKWJZMHEXUYPIZ-SFTDATJTSA-N 2 0 374.573 3.368 20 0 FGADRP O=C(CC[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2)NC1CCCC1 ZINC000475749180 502279267 /nfs/dbraw/zinc/27/92/67/502279267.db2.gz PMKINEQPORAEPZ-HSZRJFAPSA-N 2 0 369.553 3.423 20 0 FGADRP O[C@@H](C[NH2+]C(Cc1ccccc1F)Cc1ccccc1F)C[NH+]1CCCC1 ZINC000462051326 502287143 /nfs/dbraw/zinc/28/71/43/502287143.db2.gz UFPORDSHZNCICH-FQEVSTJZSA-N 2 0 374.475 3.165 20 0 FGADRP C[NH+]1CCC(O)(C[NH2+]C(Cc2ccccc2F)Cc2ccccc2F)CC1 ZINC000462123576 502314841 /nfs/dbraw/zinc/31/48/41/502314841.db2.gz RJBBXJMEXJZHCL-UHFFFAOYSA-N 2 0 374.475 3.165 20 0 FGADRP COc1ccc([C@@H](CNC(=O)C[N@@H+]2CCCC2(C)C)[NH+]2CCCCC2)cc1 ZINC000479659424 502334414 /nfs/dbraw/zinc/33/44/14/502334414.db2.gz ALIXDDRXQZCFPB-HXUWFJFHSA-N 2 0 373.541 3.213 20 0 FGADRP CC(C)[C@@H]1CN(C(=O)NCc2ccccc2C[NH+]2CCCCC2)CC[N@@H+]1C ZINC000487039312 502337425 /nfs/dbraw/zinc/33/74/25/502337425.db2.gz BEHJCHCQUDHNMK-NRFANRHFSA-N 2 0 372.557 3.154 20 0 FGADRP Cc1nccn1CCCCNC(=O)N[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000465756193 502372715 /nfs/dbraw/zinc/37/27/15/502372715.db2.gz MOZODTOJJTYCKY-XLIONFOSSA-N 2 0 369.513 3.106 20 0 FGADRP Cc1nccn1CCCCNC(=O)N[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000465756194 502373140 /nfs/dbraw/zinc/37/31/40/502373140.db2.gz MOZODTOJJTYCKY-YLJYHZDGSA-N 2 0 369.513 3.106 20 0 FGADRP C[C@@H](NC(=O)CN(CCC[NH3+])Cc1ccccc1)c1ccc(Cl)cc1 ZINC000479781823 502376124 /nfs/dbraw/zinc/37/61/24/502376124.db2.gz VMPOSNHHJZUEFD-MRXNPFEDSA-N 2 0 359.901 3.368 20 0 FGADRP C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000479789586 502378484 /nfs/dbraw/zinc/37/84/84/502378484.db2.gz RZBJGXLVMQVWLB-HLAWJBBLSA-N 2 0 370.541 3.092 20 0 FGADRP CC[NH+](CC)CCCN[C@H](C)c1cc(F)ccc1N1CC[NH+](CC)CC1 ZINC000472566868 502385992 /nfs/dbraw/zinc/38/59/92/502385992.db2.gz FNYBGFBQIIEYMG-GOSISDBHSA-N 2 0 364.553 3.350 20 0 FGADRP C[C@H](C1CC1)N(Cc1ccccc1)C(=O)CN1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000483472908 502401819 /nfs/dbraw/zinc/40/18/19/502401819.db2.gz KNBJENFQWWZKGG-BVYCBKJFSA-N 2 0 369.553 3.230 20 0 FGADRP CC[N@@H+]1CCC[C@H](CNC(=O)N[C@@H](C[NH+](C)Cc2ccccc2)C(C)C)C1 ZINC000469427055 502412454 /nfs/dbraw/zinc/41/24/54/502412454.db2.gz XKSHAYDOQGFURA-RTWAWAEBSA-N 2 0 374.573 3.174 20 0 FGADRP CN(CCC[NH+]1CCCC1)C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000479919967 502419790 /nfs/dbraw/zinc/41/97/90/502419790.db2.gz FLQGMPKZVNDUGS-UHFFFAOYSA-N 2 0 372.557 3.026 20 0 FGADRP O=C(CC[N@@H+]1CC[C@]2(CC[NH2+]C2)C1)N[C@@H](c1cccs1)c1ccccc1 ZINC000462411149 502426928 /nfs/dbraw/zinc/42/69/28/502426928.db2.gz WHAJSKPQTIGCFB-RTWAWAEBSA-N 2 0 369.534 3.029 20 0 FGADRP O=C(CC[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1)N[C@H](c1cccs1)c1ccccc1 ZINC000462411147 502426968 /nfs/dbraw/zinc/42/69/68/502426968.db2.gz WHAJSKPQTIGCFB-LEWJYISDSA-N 2 0 369.534 3.029 20 0 FGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000483561600 502431174 /nfs/dbraw/zinc/43/11/74/502431174.db2.gz NQSRSPWYICVXMQ-FDFHNCONSA-N 2 0 369.553 3.374 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@H](c2cccs2)N(C)C)[C@@H](C)C1 ZINC000480080304 502468087 /nfs/dbraw/zinc/46/80/87/502468087.db2.gz BATCTUAGZLKHLL-BZSNNMDCSA-N 2 0 353.576 3.077 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@H](C(C)C)[NH+]2CCC(C)CC2)C[C@@H]1C ZINC000483735687 502479686 /nfs/dbraw/zinc/47/96/86/502479686.db2.gz ZNQXIHUKIHILBU-SLFFLAALSA-N 2 0 366.594 3.257 20 0 FGADRP C[C@H](CCNC(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C)[NH+](C)Cc1ccccc1 ZINC000473007253 502497109 /nfs/dbraw/zinc/49/71/09/502497109.db2.gz GIUQVJKCZCRUPG-CTNGQTDRSA-N 2 0 374.573 3.413 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@H]2CCC[NH+]2Cc2ccccc2)C[C@@H]1C ZINC000483806063 502498221 /nfs/dbraw/zinc/49/82/21/502498221.db2.gz JQMPGYTZSRTRLI-SESVDKBCSA-N 2 0 372.557 3.165 20 0 FGADRP CCC[NH+]1CCC(NC(=O)N[C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000483888044 502513744 /nfs/dbraw/zinc/51/37/44/502513744.db2.gz SWXHMWLEMBIISR-AZUAARDMSA-N 2 0 372.557 3.071 20 0 FGADRP C[NH+](C)CCOc1cccc(NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)c1 ZINC000487733991 502516828 /nfs/dbraw/zinc/51/68/28/502516828.db2.gz FVOVYYJDILFXPQ-QGZVFWFLSA-N 2 0 359.514 3.220 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(Cn3cccn3)cc2)[C@@H](C)C1 ZINC000480263890 502517325 /nfs/dbraw/zinc/51/73/25/502517325.db2.gz ZKKQAIVRQUVSEQ-UGKGYDQZSA-N 2 0 370.541 3.158 20 0 FGADRP CCC[N@H+](CC)CCNC(=O)N(C)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000473184583 502538884 /nfs/dbraw/zinc/53/88/84/502538884.db2.gz RQFIIXZKGYMKNW-FQEVSTJZSA-N 2 0 360.546 3.024 20 0 FGADRP CC[NH+](CC)CCN(CC(C)C)C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000484004748 502546771 /nfs/dbraw/zinc/54/67/71/502546771.db2.gz KLIOGBNWHANCFB-UHFFFAOYSA-N 2 0 366.594 3.403 20 0 FGADRP OC[C@@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+][C@@H]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000466365954 502549203 /nfs/dbraw/zinc/54/92/03/502549203.db2.gz YVBNORHRROPQQU-MKWLTTDUSA-N 2 0 372.553 3.328 20 0 FGADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)Nc1ccccc1N1CCC(C[NH+](C)C)CC1 ZINC000473276712 502556527 /nfs/dbraw/zinc/55/65/27/502556527.db2.gz LOOCIFYIAFNVRB-HDICACEKSA-N 2 0 372.557 3.276 20 0 FGADRP COCC[N@H+](C[C@H](O)Cn1cnc2cc(C)c(C)cc21)[C@@H]1CCC[C@@H]1C ZINC000487964527 502582550 /nfs/dbraw/zinc/58/25/50/502582550.db2.gz UGLMPNILJGZNNL-ZAAXVRCTSA-N 2 0 359.514 3.151 20 0 FGADRP C[NH+](C)CC[C@H](NC(=O)c1ccc(Nc2cc[nH+]cc2)cc1)C(C)(C)C ZINC000469907584 502592602 /nfs/dbraw/zinc/59/26/02/502592602.db2.gz OVNJXHMSOXSDTG-IBGZPJMESA-N 2 0 354.498 3.343 20 0 FGADRP O=C(N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC000480553627 502601328 /nfs/dbraw/zinc/60/13/28/502601328.db2.gz KXLKSGMJWBUGFK-LEWJYISDSA-N 2 0 369.553 3.422 20 0 FGADRP CC[N@H+](Cc1ccc(C(=O)Nc2ccc3c(c2)C[NH2+]CCO3)cc1)C1CC1 ZINC000462883206 502612955 /nfs/dbraw/zinc/61/29/55/502612955.db2.gz KIQKFGMLMCHWNC-UHFFFAOYSA-N 2 0 365.477 3.405 20 0 FGADRP C[C@H](CNC(=O)N[C@H](C)[C@@H](c1ccccc1)[NH+](C)C)C[NH+]1CCCCC1 ZINC000484284818 502614639 /nfs/dbraw/zinc/61/46/39/502614639.db2.gz PPMQWMGVABXGMA-GGPKGHCWSA-N 2 0 360.546 3.099 20 0 FGADRP CC[C@@H](C)[NH2+][C@@H](CNC(=O)NCc1cccc(C[NH+](C)C)c1)c1ccco1 ZINC000480595929 502614694 /nfs/dbraw/zinc/61/46/94/502614694.db2.gz PJVAWCBRZDVZFC-APWZRJJASA-N 2 0 372.513 3.270 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H](NCCC[NH+]2C[C@H](C)C[C@H](C)C2)[C@@H](C)C1 ZINC000480601481 502616592 /nfs/dbraw/zinc/61/65/92/502616592.db2.gz AHOYPXWUOMNVDH-WOZUAGRISA-N 2 0 353.595 3.081 20 0 FGADRP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@H+]2CC[C@@H](CC(C)C)C2)CC1 ZINC000466718628 502652396 /nfs/dbraw/zinc/65/23/96/502652396.db2.gz UGZAVFZOPXKHNL-NRFANRHFSA-N 2 0 371.569 3.397 20 0 FGADRP CC[C@H](C)[NH2+][C@H](CNC(=O)N[C@H](C)C[N@@H+]1CCC[C@H](C)C1)c1ccco1 ZINC000484613975 502683294 /nfs/dbraw/zinc/68/32/94/502683294.db2.gz CEMQYOAQUMDBAQ-WNRNVDISSA-N 2 0 364.534 3.128 20 0 FGADRP CC[NH+](CC)CC1CC[NH+](CC(=O)NC23CC4CC(CC(C4)C2)C3)CC1 ZINC000488372810 502696022 /nfs/dbraw/zinc/69/60/22/502696022.db2.gz ASNPSLAMIXZVDJ-UHFFFAOYSA-N 2 0 361.574 3.125 20 0 FGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cccc(Cn3cccn3)c2)[C@@H](C)C1 ZINC000480880876 502696484 /nfs/dbraw/zinc/69/64/84/502696484.db2.gz JOESEIVLOYILPE-SIKLNZKXSA-N 2 0 370.541 3.158 20 0 FGADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)N(CCCc1ccccc1)CC[NH+](C)C ZINC000477217983 502710214 /nfs/dbraw/zinc/71/02/14/502710214.db2.gz FBXPORQPMFHYHQ-NRFANRHFSA-N 2 0 374.573 3.067 20 0 FGADRP CC[C@H](C)[NH2+][C@@H](CNC(=O)NC[C@@H](C)[NH+]1CCC(C)CC1)c1ccco1 ZINC000488455282 502718922 /nfs/dbraw/zinc/71/89/22/502718922.db2.gz COMTWOREGSVIHL-KSZLIROESA-N 2 0 364.534 3.128 20 0 FGADRP Cc1ccccc1[C@H]([C@H](C)NC(=O)NC[C@H](C)C[NH+]1CCCC1)[NH+](C)C ZINC000481030386 502734542 /nfs/dbraw/zinc/73/45/42/502734542.db2.gz FNLVGOPKCPZYPB-QRFRQXIXSA-N 2 0 360.546 3.017 20 0 FGADRP C[C@H]1C[C@@H](N(C)C(=O)c2ccc3c(c2)C[NH2+]C3)CC[N@@H+]1Cc1ccccc1 ZINC000470352616 502746397 /nfs/dbraw/zinc/74/63/97/502746397.db2.gz GOXMRBRFMOCVMZ-JTSKRJEESA-N 2 0 363.505 3.415 20 0 FGADRP C[C@@H](NC(=O)[C@@H](C)[NH+]1CCC(C[NH+](C)C)CC1)c1cc2ccccc2o1 ZINC000481068274 502746705 /nfs/dbraw/zinc/74/67/05/502746705.db2.gz CIIDNZZVOGSKPY-HZPDHXFCSA-N 2 0 357.498 3.272 20 0 FGADRP c1ccc(CN2CCC([NH2+]CC[C@H]3COc4ccccc4O3)CC2)cc1 ZINC000481088558 502750951 /nfs/dbraw/zinc/75/09/51/502750951.db2.gz FIYPNKBQWBOZRJ-FQEVSTJZSA-N 2 0 352.478 3.471 20 0 FGADRP C[C@@H]1C[C@@H](CCNC(=O)N(C)CC[N@H+](C)C2CC2)C[NH+]1Cc1ccccc1 ZINC000474015324 502779525 /nfs/dbraw/zinc/77/95/25/502779525.db2.gz KOLDJFWEDARLKJ-UYAOXDASSA-N 2 0 372.557 3.023 20 0 FGADRP CC(C)[C@H](CNC(=O)NC1CC([NH+]2CCCCC2)C1)[NH+]1CCC(C)CC1 ZINC000474035006 502786058 /nfs/dbraw/zinc/78/60/58/502786058.db2.gz QTESUZWVXSFLKV-MHJFOBGBSA-N 2 0 364.578 3.059 20 0 FGADRP CC(C)[NH+](CCCNC(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)C(C)C ZINC000470480700 502789593 /nfs/dbraw/zinc/78/95/93/502789593.db2.gz XOXWAPVSWCMORT-OAQYLSRUSA-N 2 0 374.573 3.459 20 0 FGADRP CC(C)[NH+](CCCNC(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1)C(C)C ZINC000470478219 502790355 /nfs/dbraw/zinc/79/03/55/502790355.db2.gz UOBOTHFXCDJMGS-RTBURBONSA-N 2 0 354.583 3.163 20 0 FGADRP CC1CC[NH+](CC(=O)NCc2ccccc2C[N@@H+]2CCCC[C@H]2C)CC1 ZINC000474051666 502790565 /nfs/dbraw/zinc/79/05/65/502790565.db2.gz CJSFRHNMDSWIFJ-LJQANCHMSA-N 2 0 357.542 3.409 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)N2CCC[NH+](C)CC2)C1 ZINC000500680290 502839065 /nfs/dbraw/zinc/83/90/65/502839065.db2.gz BKYJBWQCIUQJNY-KDURUIRLSA-N 2 0 372.557 3.012 20 0 FGADRP O=C([C@H]1CCCC[N@@H+]1Cc1ccccc1)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000495669949 502856234 /nfs/dbraw/zinc/85/62/34/502856234.db2.gz QBNIAXJNDDKVKS-NHCUHLMSSA-N 2 0 355.526 3.032 20 0 FGADRP C[C@@H]1C[C@@H]1[N@@H+]1CCN(C(=O)NCCCCC[NH+]2CCCCC2)C[C@@H](C)C1 ZINC000489152641 502888694 /nfs/dbraw/zinc/88/86/94/502888694.db2.gz YHJHNQIIMZXVQX-ZCNNSNEGSA-N 2 0 364.578 3.014 20 0 FGADRP C[C@H](C[N@H+](C)CCCN1CC[NH+](C)CC1)c1ccc(C(F)(F)F)cc1 ZINC000501010313 502911761 /nfs/dbraw/zinc/91/17/61/502911761.db2.gz JMVUKEOSMBFPJD-MRXNPFEDSA-N 2 0 357.464 3.378 20 0 FGADRP C[N@H+](CCC(=O)Nc1cccc(F)c1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501041615 502919511 /nfs/dbraw/zinc/91/95/11/502919511.db2.gz ZJEZLUCQVNKEQX-UHFFFAOYSA-N 2 0 370.472 3.398 20 0 FGADRP O=C(NC[C@H]1CCC[N@@H+]1CC1CCCCC1)c1cc(-n2ccnc2)ccn1 ZINC000489345415 502933519 /nfs/dbraw/zinc/93/35/19/502933519.db2.gz PIKYWPAKXZVZPW-LJQANCHMSA-N 2 0 367.497 3.042 20 0 FGADRP CC(C)[C@@H](CNC(=O)NCc1cccc(C[NH+](C)C)c1)[NH+]1CCC(C)CC1 ZINC000501162328 502952257 /nfs/dbraw/zinc/95/22/57/502952257.db2.gz ILXJGPXSCYBSHH-OAQYLSRUSA-N 2 0 374.573 3.304 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)CCC[NH+]2CCN(c3ccccc3)CC2)C[C@H]1C ZINC000509664766 502961197 /nfs/dbraw/zinc/96/11/97/502961197.db2.gz IJWQSSICOSAUFO-IRLDBZIGSA-N 2 0 358.574 3.003 20 0 FGADRP CC[NH+]1CCN(c2ccccc2C[N@H+](C)Cc2cccc(OC)c2)CC1 ZINC000505696120 502968331 /nfs/dbraw/zinc/96/83/31/502968331.db2.gz YWDOBADWJJHFMP-UHFFFAOYSA-N 2 0 353.510 3.469 20 0 FGADRP CC(C)[C@@H](C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)[NH+]1CCCCC1 ZINC000513571729 502968536 /nfs/dbraw/zinc/96/85/36/502968536.db2.gz GPZYYZKFYJMSLF-SFTDATJTSA-N 2 0 357.542 3.278 20 0 FGADRP C[C@H](CCNC(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1)[N@H+](C)Cc1ccccc1 ZINC000489528142 502979770 /nfs/dbraw/zinc/97/97/70/502979770.db2.gz ISHULCPQKYQNJV-RLLQIKCJSA-N 2 0 360.546 3.069 20 0 FGADRP O[C@H](C[NH2+][C@@H]1CCCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)C(F)(F)F ZINC000513667599 502995208 /nfs/dbraw/zinc/99/52/08/502995208.db2.gz SMFQEXZLOYNPLV-BSDSXHPESA-N 2 0 356.432 3.190 20 0 FGADRP C[NH+](C)[C@@H](CNC(=O)N1CCC([NH+]2CCCCC2)CC1)C1CCCCC1 ZINC000501402008 503002199 /nfs/dbraw/zinc/00/21/99/503002199.db2.gz XUUQQWNSIRUING-FQEVSTJZSA-N 2 0 364.578 3.157 20 0 FGADRP C/C(=C/c1ccccc1C(F)(F)F)C[NH2+]CC1CC[NH+](CCO)CC1 ZINC000501425144 503008152 /nfs/dbraw/zinc/00/81/52/503008152.db2.gz OCPZUMXIHLSOID-QINSGFPZSA-N 2 0 356.432 3.403 20 0 FGADRP CC(C)OC[C@H](C)[NH2+]Cc1cc(C(F)(F)F)ccc1N1CC[NH+](C)CC1 ZINC000501455854 503012309 /nfs/dbraw/zinc/01/23/09/503012309.db2.gz SOQNYKPPXYVDNS-HNNXBMFYSA-N 2 0 373.463 3.360 20 0 FGADRP C[NH+](C)CCN(CC1CCCCC1)C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000489758586 503027144 /nfs/dbraw/zinc/02/71/44/503027144.db2.gz NXDDLONZOZASBP-MOPGFXCFSA-N 2 0 352.567 3.013 20 0 FGADRP C[C@H](CNC(=O)NCC1([NH+](C)C)CCCCCC1)[N@@H+]1CCCC[C@@H]1C ZINC000501519036 503027421 /nfs/dbraw/zinc/02/74/21/503027421.db2.gz UHDPIHCZUFFNRR-ZWKOTPCHSA-N 2 0 352.567 3.203 20 0 FGADRP C[C@@H](CNC(=O)NCC1([NH+](C)C)CCCCCC1)[N@@H+]1CCCC[C@H]1C ZINC000501519032 503028101 /nfs/dbraw/zinc/02/81/01/503028101.db2.gz UHDPIHCZUFFNRR-MSOLQXFVSA-N 2 0 352.567 3.203 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1)c1ccccc1 ZINC000489808569 503039458 /nfs/dbraw/zinc/03/94/58/503039458.db2.gz UKRKOWGTFANKBM-XUVXKRRUSA-N 2 0 360.546 3.242 20 0 FGADRP CCC1(C[NH2+][C@@H](C(N)=O)c2ccccc2)CC[NH+](Cc2ccccc2)CC1 ZINC000513871960 503040071 /nfs/dbraw/zinc/04/00/71/503040071.db2.gz AFKQJZUPIMZXIP-OAQYLSRUSA-N 2 0 365.521 3.495 20 0 FGADRP C[NH+](C)CCN(CCCc1ccccc1)C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000489811552 503040772 /nfs/dbraw/zinc/04/07/72/503040772.db2.gz QFINFXBVSAVWCZ-NHCUHLMSSA-N 2 0 374.573 3.065 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)NCC1([NH+](C)C)CCCC1 ZINC000489830260 503044144 /nfs/dbraw/zinc/04/41/44/503044144.db2.gz KBWOYXWKNMEAFV-UYAOXDASSA-N 2 0 372.557 3.071 20 0 FGADRP CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000501601543 503047504 /nfs/dbraw/zinc/04/75/04/503047504.db2.gz KRJGRTIUPMBBBL-OAQYLSRUSA-N 2 0 370.541 3.163 20 0 FGADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N[C@@H]1CC[NH+](Cc2ccccc2)CC1(C)C ZINC000513916556 503048359 /nfs/dbraw/zinc/04/83/59/503048359.db2.gz JHPVSKURJJIJIO-WSTZPKSXSA-N 2 0 357.542 3.276 20 0 FGADRP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000513923488 503049736 /nfs/dbraw/zinc/04/97/36/503049736.db2.gz FQTMRGWCZPXEOB-FCHUYYIVSA-N 2 0 365.521 3.113 20 0 FGADRP CCOc1cc2c(cc1CNCc1ncc(CN(C)C)s1)O[C@H](C)C2 ZINC000510176438 503064843 /nfs/dbraw/zinc/06/48/43/503064843.db2.gz OMLMKPCODSWFSS-CYBMUJFWSA-N 2 0 361.511 3.217 20 0 FGADRP COCC[N@H+](C)CCCC1CC[NH+](Cc2nc3cccnc3s2)CC1 ZINC000501768959 503076445 /nfs/dbraw/zinc/07/64/45/503076445.db2.gz FZKNZQVSZIIXHE-UHFFFAOYSA-N 2 0 362.543 3.262 20 0 FGADRP C[C@H](C(=O)N[C@H]1CCC[C@@H](C)[C@H]1C)[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000501773241 503076866 /nfs/dbraw/zinc/07/68/66/503076866.db2.gz HXDKAPRXRXLTGT-MLYOOKFZSA-N 2 0 351.579 3.370 20 0 FGADRP CCc1ccc(CN(C)C(=O)C[NH+]2CCC(CCC[NH+](C)C)CC2)cc1 ZINC000501775773 503077583 /nfs/dbraw/zinc/07/75/83/503077583.db2.gz NJNVTZXXKPWASF-UHFFFAOYSA-N 2 0 359.558 3.261 20 0 FGADRP CCc1ccc([C@H](CNC(=O)N[C@@H](C)C[NH+]2CCCCC2)[NH+](C)C)cc1 ZINC000501811392 503084498 /nfs/dbraw/zinc/08/44/98/503084498.db2.gz XMVJWSFEJSMYCI-PXNSSMCTSA-N 2 0 360.546 3.025 20 0 FGADRP C[NH+](C)C[C@@H](NC(=O)CC[C@@H]1CCCC[N@@H+]1C)c1ccc(Cl)cc1 ZINC000510293707 503086893 /nfs/dbraw/zinc/08/68/93/503086893.db2.gz AKXBCWFZCURNGK-ZWKOTPCHSA-N 2 0 351.922 3.323 20 0 FGADRP COc1cccc([C@@H](CNC(=O)[C@H](C)[NH+]2CCCCCC2)[NH+]2CCCC2)c1 ZINC000510328566 503092901 /nfs/dbraw/zinc/09/29/01/503092901.db2.gz CKHCCGMSQQQKTQ-GHTZIAJQSA-N 2 0 373.541 3.213 20 0 FGADRP CCCC[NH+]1CCC(NC(=O)NC[C@H](c2ccc(CC)cc2)[NH+](C)C)CC1 ZINC000514163622 503102450 /nfs/dbraw/zinc/10/24/50/503102450.db2.gz ZUWDVAFDJGUWCS-OAQYLSRUSA-N 2 0 374.573 3.415 20 0 FGADRP C[C@H](CNC(=O)N[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1)[NH+]1CCC[C@@H](C)C1 ZINC000514211016 503113796 /nfs/dbraw/zinc/11/37/96/503113796.db2.gz MMUVGUGMTVQMHX-ANTGDGSKSA-N 2 0 372.557 3.242 20 0 FGADRP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000514215014 503114872 /nfs/dbraw/zinc/11/48/72/503114872.db2.gz QIALOZVRUDWJCJ-SBHAEUEKSA-N 2 0 372.557 3.243 20 0 FGADRP CC(C)(C)c1cccc(OCC[N@@H+]2CCC[C@@H](CN3CCOCC3)C2)c1 ZINC000506453765 503117105 /nfs/dbraw/zinc/11/71/05/503117105.db2.gz IKDPZGCLXKDZGF-LJQANCHMSA-N 2 0 360.542 3.407 20 0 FGADRP CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000502030968 503129768 /nfs/dbraw/zinc/12/97/68/503129768.db2.gz IGUNVUUIYOVTDW-NJYVYQBISA-N 2 0 357.542 3.442 20 0 FGADRP CCC[NH+]1CCC(CNC(=O)NC[C@@H]([NH2+][C@@H](C)CC)c2ccco2)CC1 ZINC000490219159 503133581 /nfs/dbraw/zinc/13/35/81/503133581.db2.gz WBPUFZWBJHXGLZ-FUHWJXTLSA-N 2 0 364.534 3.130 20 0 FGADRP CC[N@@H+]1C[C@H](C)N(C(=O)NC2CC[NH+]([C@H](C)c3ccccc3)CC2)C[C@H]1C ZINC000498239156 503139519 /nfs/dbraw/zinc/13/95/19/503139519.db2.gz LVDHJRDIWLEEFS-CEXWTWQISA-N 2 0 372.557 3.336 20 0 FGADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1cc2ccc(Cl)cc2[nH]1 ZINC000498335096 503160781 /nfs/dbraw/zinc/16/07/81/503160781.db2.gz JPXJTJXCDNEVMN-UHFFFAOYSA-N 2 0 364.921 3.167 20 0 FGADRP C[C@@H]1CCc2nc(C[NH2+]CCCC[N@H+]3C[C@@H](C)O[C@@H](C)C3)sc2C1 ZINC000498351468 503164348 /nfs/dbraw/zinc/16/43/48/503164348.db2.gz CJDCDEPVXHROMT-OAGGEKHMSA-N 2 0 351.560 3.247 20 0 FGADRP Cc1cc(OCCC[C@@H](C)[NH2+]C[C@@H](O)C[NH+]2CCCC2)ccc1Cl ZINC000510724390 503179279 /nfs/dbraw/zinc/17/92/79/503179279.db2.gz XMDVRRMQCKAZGS-IAGOWNOFSA-N 2 0 354.922 3.242 20 0 FGADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000506828177 503180344 /nfs/dbraw/zinc/18/03/44/503180344.db2.gz SOJPPXDAIAUVEZ-XUVXKRRUSA-N 2 0 364.578 3.157 20 0 FGADRP CC[C@H](C)[NH2+][C@@H](CNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1ccco1 ZINC000498414389 503182697 /nfs/dbraw/zinc/18/26/97/503182697.db2.gz PHJKYHAKCNKFSS-VGUREELVSA-N 2 0 362.518 3.023 20 0 FGADRP CC(C)[C@H](C[NH2+][C@H](C)CCc1c(F)cccc1F)N1CC[NH+](C)CC1 ZINC000510754734 503185982 /nfs/dbraw/zinc/18/59/82/503185982.db2.gz NTVYUXNELZRPDC-UZLBHIALSA-N 2 0 353.501 3.148 20 0 FGADRP C[C@H](NC(=O)[C@H](C)[NH+]1CCCCCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000490812347 503230535 /nfs/dbraw/zinc/23/05/35/503230535.db2.gz KLGOPGBVWCXYEW-ZJOUEHCJSA-N 2 0 357.542 3.278 20 0 FGADRP CC(C)CN(CC[NH+](C)C)C(=O)N[C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000498696863 503241498 /nfs/dbraw/zinc/24/14/98/503241498.db2.gz SRTSMMFWQTVMIH-TZIWHRDSSA-N 2 0 374.573 3.126 20 0 FGADRP CCCC[N@H+](C)CCNC(=O)NCc1ccc(C[NH+]2CCC[C@H](C)C2)cc1 ZINC000490890599 503242579 /nfs/dbraw/zinc/24/25/79/503242579.db2.gz TWRSJFZXTRHGEC-IBGZPJMESA-N 2 0 374.573 3.450 20 0 FGADRP C[C@@H](NC(=O)N1CC[N@@H+]([C@H]2C[C@H]2C)C[C@H](C)C1)[C@H](c1ccccc1)[NH+](C)C ZINC000491109622 503274059 /nfs/dbraw/zinc/27/40/59/503274059.db2.gz TXVUUBVFNOYSIU-CPDPWVEUSA-N 2 0 372.557 3.050 20 0 FGADRP C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000507447813 503301040 /nfs/dbraw/zinc/30/10/40/503301040.db2.gz IWGFJXIAOAIITD-MRXNPFEDSA-N 2 0 365.949 3.399 20 0 FGADRP C[C@H]([NH2+]CCCOC1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCCOC1 ZINC000507462974 503303219 /nfs/dbraw/zinc/30/32/19/503303219.db2.gz QVUMATYTWDCQBK-PZJWPPBQSA-N 2 0 360.542 3.462 20 0 FGADRP C[NH+](C)Cc1ccc(C[NH2+]C2CCN(CCC(F)(F)F)CC2)cc1F ZINC000507489219 503308498 /nfs/dbraw/zinc/30/84/98/503308498.db2.gz WPSVCYMDSHSABV-UHFFFAOYSA-N 2 0 361.427 3.394 20 0 FGADRP CC[C@@H]1CCC[N@H+](CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)C1 ZINC000499015377 503315613 /nfs/dbraw/zinc/31/56/13/503315613.db2.gz GAZMKKCQIHDLAV-QGZVFWFLSA-N 2 0 361.555 3.296 20 0 FGADRP C[C@H](C[NH2+]C1CCN(Cc2ccccc2Br)CC1)C[NH+](C)C ZINC000491573584 503320295 /nfs/dbraw/zinc/32/02/95/503320295.db2.gz SYPFODWSMLNJRD-OAHLLOKOSA-N 2 0 368.363 3.201 20 0 FGADRP C[NH+](C)[C@@H](CNC(=O)NCCC[N@@H+](C)Cc1ccccc1)c1cccs1 ZINC000515363706 503324013 /nfs/dbraw/zinc/32/40/13/503324013.db2.gz QHAMUSCVRMTJNA-SFHVURJKSA-N 2 0 374.554 3.172 20 0 FGADRP C[C@@H]1[C@H](NC(=O)NCC(C)(C)C[NH+]2CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000503086537 503344449 /nfs/dbraw/zinc/34/44/49/503344449.db2.gz UUYJNTBCNBIVGO-UYAOXDASSA-N 2 0 372.557 3.071 20 0 FGADRP CCC[N@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)[C@H]1CCc2ccccc21 ZINC000511648176 503361741 /nfs/dbraw/zinc/36/17/41/503361741.db2.gz LQRQNBWIBGZDOJ-NRFANRHFSA-N 2 0 357.542 3.375 20 0 FGADRP C[C@@H]([NH2+]CCC(=O)N1CCOc2ccccc21)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000503198176 503365355 /nfs/dbraw/zinc/36/53/55/503365355.db2.gz KKOJXQFTNANEIF-MSOLQXFVSA-N 2 0 371.525 3.045 20 0 FGADRP C[NH+](C)CC1(C(=O)NCc2ccccc2C[NH+]2CCCC2)CCCCC1 ZINC000492914751 503393968 /nfs/dbraw/zinc/39/39/68/503393968.db2.gz VPZRXJJHFFKUKL-UHFFFAOYSA-N 2 0 357.542 3.411 20 0 FGADRP CCC[N@@H+]1CCC[C@H]1CNC(=O)N(C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000511906184 503413120 /nfs/dbraw/zinc/41/31/20/503413120.db2.gz NBDSWJAENFNRJC-SFTDATJTSA-N 2 0 372.557 3.024 20 0 FGADRP C[C@H](C(=O)N1CCC([NH+]2CCc3ccccc3C2)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000511920596 503415717 /nfs/dbraw/zinc/41/57/17/503415717.db2.gz XXIHFGMMXJTLLN-CEXWTWQISA-N 2 0 369.553 3.297 20 0 FGADRP CC[NH+](CC)Cc1cccc(CNC(=O)NCC2(C)CC[NH+](C)CC2)c1 ZINC000508058185 503420794 /nfs/dbraw/zinc/42/07/94/503420794.db2.gz MMPOPJQFXLWZIG-UHFFFAOYSA-N 2 0 360.546 3.060 20 0 FGADRP C[C@H]([NH3+])[C@H](C)C(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000493892019 503453790 /nfs/dbraw/zinc/45/37/90/503453790.db2.gz RQDSPVWJQSWBHV-GZIXRCOHSA-N 2 0 371.447 3.188 20 0 FGADRP C[C@H]1CCC[C@](CNC(=O)N(CC[NH+](C)C)Cc2ccccc2)([NH+](C)C)C1 ZINC000516155326 503456884 /nfs/dbraw/zinc/45/68/84/503456884.db2.gz LTNLXZPMEFYQLA-UGKGYDQZSA-N 2 0 374.573 3.270 20 0 FGADRP CC[NH+](CC)CC1CCN(C(=O)N[C@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000516245640 503480494 /nfs/dbraw/zinc/48/04/94/503480494.db2.gz RTYHZDJRDRBUSJ-CEXWTWQISA-N 2 0 366.594 3.116 20 0 FGADRP COC(=O)c1cc2c(o1)c(OC)ccc2C[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000503929327 503491575 /nfs/dbraw/zinc/49/15/75/503491575.db2.gz MYUQHDJOXOVRRW-UHFFFAOYSA-N 2 0 360.454 3.050 20 0 FGADRP C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)[C@H]2CCC[NH+]2C2CC2)C1 ZINC000494248351 503511772 /nfs/dbraw/zinc/51/17/72/503511772.db2.gz QXZCYDYCCWUGFY-DYESRHJHSA-N 2 0 355.526 3.162 20 0 FGADRP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)[C@H]3CCC[N@@H+]3C3CC3)cc2)C1 ZINC000494281139 503518796 /nfs/dbraw/zinc/51/87/96/503518796.db2.gz BTUSQEYDFKWCNE-JBYIUTFZSA-N 2 0 369.553 3.408 20 0 FGADRP CC1CC[NH+](CCCCNC(=O)NC[C@@]2([NH+](C)C)CCC[C@@H](C)C2)CC1 ZINC000516559183 503535937 /nfs/dbraw/zinc/53/59/37/503535937.db2.gz ZQIOZQKCUHGPDB-TZIWHRDSSA-N 2 0 366.594 3.308 20 0 FGADRP CC(C)[NH+]1CCN(C(=O)NCC[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC000512407564 503539738 /nfs/dbraw/zinc/53/97/38/503539738.db2.gz WMVPTGWQBPVRNQ-FPOVZHCZSA-N 2 0 372.557 3.023 20 0 FGADRP CC(C)N(CC[NH+](C)C)C(=O)NCC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000512416604 503543805 /nfs/dbraw/zinc/54/38/05/503543805.db2.gz ANHZPRKFLAZTNC-TZIWHRDSSA-N 2 0 374.573 3.269 20 0 FGADRP CCCN(CC[NH+]1CCCC1)C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000512444550 503553666 /nfs/dbraw/zinc/55/36/66/503553666.db2.gz PVGFUFQEGVNYNR-JOCHJYFZSA-N 2 0 359.558 3.085 20 0 FGADRP O=C(NCc1ccccc1C[NH+]1CCCCC1)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000504324425 503556526 /nfs/dbraw/zinc/55/65/26/503556526.db2.gz LCHVJACXGXFRBU-SFTDATJTSA-N 2 0 370.541 3.099 20 0 FGADRP Fc1ccc(-c2n[nH]cc2C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)cc1 ZINC000512474714 503564961 /nfs/dbraw/zinc/56/49/61/503564961.db2.gz MTIPJDPIAPDBRT-UHFFFAOYSA-N 2 0 372.488 3.150 20 0 FGADRP CCCN(CC[NH+]1CCCCC1)C(=O)NC[C@H]1CCC[N@H+](CC(C)C)C1 ZINC000500154754 503565905 /nfs/dbraw/zinc/56/59/05/503565905.db2.gz HYKYIUHFZHHUCJ-HXUWFJFHSA-N 2 0 366.594 3.262 20 0 FGADRP CC(C)[NH+](C)CC1CCN(C(=O)N[C@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000516683457 503567711 /nfs/dbraw/zinc/56/77/11/503567711.db2.gz JHDCUKZYSAIJLO-CEXWTWQISA-N 2 0 366.594 3.115 20 0 FGADRP Cc1ccccc1[C@H]([C@@H](C)NC(=O)N1CC[C@H]([NH+]2CCCCC2)C1)[NH+](C)C ZINC000508869449 503583327 /nfs/dbraw/zinc/58/33/27/503583327.db2.gz ICXBZRJUQHILGW-DYXWJJEUSA-N 2 0 372.557 3.256 20 0 FGADRP C[C@H](NC(=O)N1CCC[N@@H+](C2CCCC2)CC1)[C@@H](c1ccccc1)[NH+](C)C ZINC000508872395 503584278 /nfs/dbraw/zinc/58/42/78/503584278.db2.gz RQQGDYGBVRVAKA-RXVVDRJESA-N 2 0 372.557 3.338 20 0 FGADRP Cc1cnc(CC[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)nc1 ZINC000512620646 503597415 /nfs/dbraw/zinc/59/74/15/503597415.db2.gz RVCZVTSOKRIVNK-PCCBWWKXSA-N 2 0 350.510 3.218 20 0 FGADRP c1nnc(C2CC2)n1CC[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000512670800 503608908 /nfs/dbraw/zinc/60/89/08/503608908.db2.gz BHWDUBYMJNSLDZ-PCCBWWKXSA-N 2 0 365.525 3.046 20 0 FGADRP CCCC[NH+]1CCC([NH2+]C[C@H](O)Cc2ccccc2C(F)(F)F)CC1 ZINC000516922465 503619541 /nfs/dbraw/zinc/61/95/41/503619541.db2.gz CQAZSDDSFSVBPL-QGZVFWFLSA-N 2 0 358.448 3.463 20 0 FGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]C[C@@H](O)C(C)(C)C)CC1 ZINC000516960962 503632092 /nfs/dbraw/zinc/63/20/92/503632092.db2.gz IKHJVYIRLDGOGK-DNVCBOLYSA-N 2 0 351.510 3.025 20 0 FGADRP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)N2CCC[C@H]2C[NH+]2CCCCC2)C1 ZINC000517148990 503655742 /nfs/dbraw/zinc/65/57/42/503655742.db2.gz NVAJRTRVFGJMOA-AQNXPRMDSA-N 2 0 364.578 3.014 20 0 FGADRP CCC1(C[NH2+][C@@H]2CCC(=O)NC2(C)C)CC[NH+](Cc2ccccc2)CC1 ZINC000495080108 503661536 /nfs/dbraw/zinc/66/15/36/503661536.db2.gz PTJHJVQACVNKCH-LJQANCHMSA-N 2 0 357.542 3.326 20 0 FGADRP Fc1cc(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)ccc1-n1cncn1 ZINC000536695966 503684350 /nfs/dbraw/zinc/68/43/50/503684350.db2.gz GUBMCNWGNMUUPW-UHFFFAOYSA-N 2 0 371.504 3.494 20 0 FGADRP COc1ccc([C@H](OC)[C@@H](C)[NH2+]Cc2cn(-c3cc[nH+]cc3)nc2C)cc1 ZINC000543237001 503692036 /nfs/dbraw/zinc/69/20/36/503692036.db2.gz LEFFPLLMWZWSNO-IIBYNOLFSA-N 2 0 366.465 3.450 20 0 FGADRP CC(C)(C)[C@H]1CC[N@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000543248312 503697599 /nfs/dbraw/zinc/69/75/99/503697599.db2.gz WYGAIRFWWFLZNF-FQEVSTJZSA-N 2 0 357.542 3.267 20 0 FGADRP CC[N@H+](CCC1CC[NH+](CCC(=O)N2CCC[C@@H]2C)CC1)CC(C)C ZINC000540199114 503705148 /nfs/dbraw/zinc/70/51/48/503705148.db2.gz SJALSQHWSFVRIT-IBGZPJMESA-N 2 0 351.579 3.467 20 0 FGADRP CC[N@H+](CCC1CC[NH+](CCC(=O)N2CCC[C@H]2C)CC1)CC(C)C ZINC000540199115 503705396 /nfs/dbraw/zinc/70/53/96/503705396.db2.gz SJALSQHWSFVRIT-LJQANCHMSA-N 2 0 351.579 3.467 20 0 FGADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CCCOc1ncc(C(F)(F)F)cc1Cl ZINC000536829792 503735258 /nfs/dbraw/zinc/73/52/58/503735258.db2.gz AAGDFOBACLLMBS-BXUZGUMPSA-N 2 0 365.827 3.453 20 0 FGADRP C[C@H](CCNC(=O)NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1)[NH+]1CCCCC1 ZINC000543351634 503735315 /nfs/dbraw/zinc/73/53/15/503735315.db2.gz MAVNLUGOYFTRHM-VAMGGRTRSA-N 2 0 366.594 3.308 20 0 FGADRP C[C@H]1C[NH+](CCOc2ccc(CC[NH2+]Cc3cccnc3)cc2)C[C@@H]1C ZINC000540323055 503737020 /nfs/dbraw/zinc/73/70/20/503737020.db2.gz AAVZMBJQDISNDY-OALUTQOASA-N 2 0 353.510 3.381 20 0 FGADRP CC[N@H+](CCC1CC[NH+](CC(=O)NCc2ccccc2)CC1)CC(C)C ZINC000536887791 503749171 /nfs/dbraw/zinc/74/91/71/503749171.db2.gz BLFXXWVYSRFDND-UHFFFAOYSA-N 2 0 359.558 3.383 20 0 FGADRP C[N@@H+]1CCC[C@H](CNC(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)C1 ZINC000517472217 503751990 /nfs/dbraw/zinc/75/19/90/503751990.db2.gz WMQNOAPXHSJQIJ-LJQANCHMSA-N 2 0 358.530 3.178 20 0 FGADRP CCCCNC(=O)[C@H]1CC[C@@H](C)[N@H+](Cc2cn(-c3cc[nH+]cc3)nc2C)C1 ZINC000543394699 503752060 /nfs/dbraw/zinc/75/20/60/503752060.db2.gz ZGVXNBXORVPWPG-AEFFLSMTSA-N 2 0 369.513 3.093 20 0 FGADRP Cc1cc([C@H]([NH2+]CCCC[N@@H+]2CCC[C@H]2CO)c2cccnc2)ccc1F ZINC000543404674 503756594 /nfs/dbraw/zinc/75/65/94/503756594.db2.gz PYYUUAJWSZDWNA-UNMCSNQZSA-N 2 0 371.500 3.445 20 0 FGADRP C[C@@H]1C[C@@H](CC[NH2+]C[C@H](O)Cc2ccccc2)C[N@@H+]1Cc1ccccc1 ZINC000517555935 503770779 /nfs/dbraw/zinc/77/07/79/503770779.db2.gz BUMLIELAFIRKMR-UEVCKROQSA-N 2 0 352.522 3.480 20 0 FGADRP Cc1cccc(NC(=O)NC(=O)C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)c1C ZINC000533272073 503786812 /nfs/dbraw/zinc/78/68/12/503786812.db2.gz CSSZXWVUYZEMRK-UHFFFAOYSA-N 2 0 374.529 3.004 20 0 FGADRP CC[NH+](CC)CCOc1ccc(NC(=O)NCC[N@H+]2CC=C(C)CC2)cc1 ZINC000546575975 503794997 /nfs/dbraw/zinc/79/49/97/503794997.db2.gz GROKODRTJJKICL-UHFFFAOYSA-N 2 0 374.529 3.181 20 0 FGADRP C[C@H]1C[N@H+](CCOc2ccc(CC[NH2+][C@@H]3CC[NH+](C)[C@H](C)C3)cc2)C[C@H]1C ZINC000537096135 503801636 /nfs/dbraw/zinc/80/16/36/503801636.db2.gz IMCCKLZGCURXHR-XAPVIXHLSA-N 3 0 373.585 3.268 20 0 FGADRP C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000517740755 503823072 /nfs/dbraw/zinc/82/30/72/503823072.db2.gz UDKILFNUKSPVKV-ZWKOTPCHSA-N 2 0 352.567 3.061 20 0 FGADRP CCO[C@@H]1C[C@H]([NH2+]C2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)C12CCCCC2 ZINC000540607025 503832799 /nfs/dbraw/zinc/83/27/99/503832799.db2.gz KSXBTZFDIAZWML-FUMNGEBKSA-N 2 0 350.547 3.082 20 0 FGADRP CC(=O)c1ccc(NC(=O)CC[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)cc1 ZINC000533408871 503835115 /nfs/dbraw/zinc/83/51/15/503835115.db2.gz ISJMSCAXSAKGMF-UHFFFAOYSA-N 2 0 359.514 3.270 20 0 FGADRP COC(=O)c1ccc(C[NH2+]CC[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)o1 ZINC000540628420 503837873 /nfs/dbraw/zinc/83/78/73/503837873.db2.gz ZTEOYXWFCFMCLG-WMZOPIPTSA-N 2 0 356.466 3.457 20 0 FGADRP O=C(NCc1ccccc1C[NH+]1CCCC1)NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC000527637320 503868979 /nfs/dbraw/zinc/86/89/79/503868979.db2.gz YLKIMPLSUOJLGR-OAQYLSRUSA-N 2 0 370.541 3.099 20 0 FGADRP C[C@@H]1C[NH+](CC2CC[NH+](CCN3CCCc4ccccc43)CC2)C[C@@H](C)O1 ZINC000533534519 503878854 /nfs/dbraw/zinc/87/88/54/503878854.db2.gz LGUDPIAYHYOWKN-WOJBJXKFSA-N 2 0 371.569 3.260 20 0 FGADRP Cc1cc(C)c(NC(=O)[C@H](C)[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)c(C)c1 ZINC000530243052 503890278 /nfs/dbraw/zinc/89/02/78/503890278.db2.gz VCOVCZVWZJYGCN-ICSRJNTNSA-N 2 0 373.541 3.029 20 0 FGADRP Fc1cc(C[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)ccc1OC(F)F ZINC000530247935 503893344 /nfs/dbraw/zinc/89/33/44/503893344.db2.gz DSAKSVLMLNUYEC-HNNXBMFYSA-N 2 0 358.404 3.018 20 0 FGADRP COc1cc(C[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)ccc1OC(C)C ZINC000530248551 503894226 /nfs/dbraw/zinc/89/42/26/503894226.db2.gz MFORHYHEHBGPTF-IBGZPJMESA-N 2 0 362.514 3.073 20 0 FGADRP Cc1nn(C(C)(C)C)c(C)c1C[NH2+]CCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000533740943 503938337 /nfs/dbraw/zinc/93/83/37/503938337.db2.gz GBGWQENVGQGVRV-HOTGVXAUSA-N 2 0 350.551 3.234 20 0 FGADRP CSC[C@@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1ccc(C(F)(F)F)cc1 ZINC000540987514 503965608 /nfs/dbraw/zinc/96/56/08/503965608.db2.gz QPTOYKDMUMFPPH-OAHLLOKOSA-N 2 0 362.461 3.156 20 0 FGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@@H](C)c2cc(-c3ccccc3)n(C)n2)CC1 ZINC000527859330 503976155 /nfs/dbraw/zinc/97/61/55/503976155.db2.gz PUSPEZKSDYUBBA-OALUTQOASA-N 2 0 369.557 3.011 20 0 FGADRP CCCCN(C(=O)C[N@H+](C)[C@@H]1CCSC1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000533872284 503976613 /nfs/dbraw/zinc/97/66/13/503976613.db2.gz KWKFXMUUVLLTLW-MRXNPFEDSA-N 2 0 369.619 3.362 20 0 FGADRP C[NH+](C)CCOC1CC[NH+](Cc2cnc(-c3cccs3)s2)CC1 ZINC000537629866 503983546 /nfs/dbraw/zinc/98/35/46/503983546.db2.gz BSDIWIAAPQELEZ-UHFFFAOYSA-N 2 0 351.541 3.414 20 0 FGADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCc2cccc(C[NH+](C)C)c2)C1 ZINC000518452507 503989477 /nfs/dbraw/zinc/98/94/77/503989477.db2.gz ATCGNONNTZQESQ-GOSISDBHSA-N 2 0 374.573 3.448 20 0 FGADRP CC[C@@H]1C[C@H](C)CC[C@H]1[NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000537646710 503990543 /nfs/dbraw/zinc/99/05/43/503990543.db2.gz IDRNPWIRDHEKFX-BHIYHBOVSA-N 2 0 351.579 3.418 20 0 FGADRP COCCOc1ccc([C@@H](C)[NH2+]C[C@@H]2CCN2C2CCCC2)cc1OC ZINC000528015423 504040392 /nfs/dbraw/zinc/04/03/92/504040392.db2.gz XKJOPUAIBMJHRA-APWZRJJASA-N 2 0 362.514 3.388 20 0 FGADRP CC[N@@H+]1CCC[C@H](C[NH2+][C@H](C)CC(=O)Nc2cc(Cl)ccc2OC)C1 ZINC000541216287 504046833 /nfs/dbraw/zinc/04/68/33/504046833.db2.gz KUZNNNMSWMQICX-HUUCEWRRSA-N 2 0 367.921 3.387 20 0 FGADRP COC(=O)c1ccc(C[NH+]2CCC(CC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)cc1 ZINC000530701166 504057182 /nfs/dbraw/zinc/05/71/82/504057182.db2.gz FUBVZAXFHUHRBC-QZTJIDSGSA-N 2 0 374.525 3.185 20 0 FGADRP CN(CC[N@H+](C)CCOc1ccc(Cl)cc1Cl)C1CC[NH+](C)CC1 ZINC000534219138 504074463 /nfs/dbraw/zinc/07/44/63/504074463.db2.gz LZOBYBKDRVGAJM-UHFFFAOYSA-N 2 0 374.356 3.330 20 0 FGADRP C[C@@H](CCN1C(=O)c2ccccc2C1=O)[NH2+]CC(C)(C)N1CCC[C@H](C)C1 ZINC000547367965 504079134 /nfs/dbraw/zinc/07/91/34/504079134.db2.gz XSMCCTZKSPJJFH-IRXDYDNUSA-N 2 0 371.525 3.161 20 0 FGADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H](O)COc2ccccc2C(F)(F)F)C[C@H]1C ZINC000541351288 504102180 /nfs/dbraw/zinc/10/21/80/504102180.db2.gz XWQITUZRBBFNBU-OWCLPIDISA-N 2 0 374.447 3.250 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCOc2cccc(Cl)c2)[C@@H](C)C1 ZINC000537991754 504104781 /nfs/dbraw/zinc/10/47/81/504104781.db2.gz SUDZQKHCVFZFJR-LPHOPBHVSA-N 2 0 354.922 3.445 20 0 FGADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)[C@H]1C[C@H]1c1cccc(Cl)c1Cl ZINC000530879888 504117677 /nfs/dbraw/zinc/11/76/77/504117677.db2.gz AFPGQWDOJOPEKB-GJZGRUSLSA-N 2 0 372.340 3.049 20 0 FGADRP CC(C[NH+]1CC[C@@H](C2CCOCC2)C1)C[N@@H+]1CC[C@@H](C2CCOCC2)C1 ZINC000534380904 504125864 /nfs/dbraw/zinc/12/58/64/504125864.db2.gz UKDUIEPIPNKAEV-FGZHOGPDSA-N 2 0 364.574 3.120 20 0 FGADRP CCC[N@@H+]1CC[C@H](CNC(=O)N2CC[NH+](Cc3ccccc3)[C@H](CC)C2)C1 ZINC000544681342 504215807 /nfs/dbraw/zinc/21/58/07/504215807.db2.gz XCLXEGDFEKBNKA-NHCUHLMSSA-N 2 0 372.557 3.024 20 0 FGADRP C[C@H]1C[C@H](N(C)C(=O)NCCC[NH+]2CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000519479573 504229236 /nfs/dbraw/zinc/22/92/36/504229236.db2.gz DHDTWYAJFXAMED-PZJWPPBQSA-N 2 0 372.557 3.167 20 0 FGADRP C[N@H+]1CC=C(CNC(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)CC1 ZINC000538385877 504229379 /nfs/dbraw/zinc/22/93/79/504229379.db2.gz LJHPRPSQZNRKMB-UHFFFAOYSA-N 2 0 370.541 3.124 20 0 FGADRP CCC[C@@H]1CN(C(=O)N[C@@H](C)CC[NH+](C)C)CC[N@@H+]1Cc1ccccc1 ZINC000538388245 504230248 /nfs/dbraw/zinc/23/02/48/504230248.db2.gz XGUHXQCVOHOJKZ-AZUAARDMSA-N 2 0 360.546 3.023 20 0 FGADRP C[C@@H]1C[C@H]1c1ccc(C[NH2+]CCCN2CCN(c3cc[nH+]cc3)CC2)o1 ZINC000538398461 504235333 /nfs/dbraw/zinc/23/53/33/504235333.db2.gz NDJKGIYZRJIBGS-YLJYHZDGSA-N 2 0 354.498 3.100 20 0 FGADRP COC[C@H](C)C[NH2+]CCCN1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000519519313 504236608 /nfs/dbraw/zinc/23/66/08/504236608.db2.gz QNYAVRQJEJYVMU-MRXNPFEDSA-N 2 0 373.463 3.090 20 0 FGADRP CCO[C@H]1C[C@H]([NH2+]Cc2ccnc(OCC[NH+](C)C)c2)C12CCCCC2 ZINC000538406466 504237964 /nfs/dbraw/zinc/23/79/64/504237964.db2.gz GUIGTLLMISJXIS-OALUTQOASA-N 2 0 361.530 3.240 20 0 FGADRP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)NCC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000541780931 504251833 /nfs/dbraw/zinc/25/18/33/504251833.db2.gz ISOCRTWTNOYNTK-KZNAEPCWSA-N 2 0 366.594 3.115 20 0 FGADRP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)N(C)[C@H](C)C1CC[NH+](C)CC1 ZINC000541816482 504263399 /nfs/dbraw/zinc/26/33/99/504263399.db2.gz FQBVIOZYGHDKEZ-MJGOQNOKSA-N 2 0 352.567 3.013 20 0 FGADRP OC1(C[NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)Cc2ccccc2C1 ZINC000541882362 504289920 /nfs/dbraw/zinc/28/99/20/504289920.db2.gz FJDIKBQFZBVDGR-DNVJHFABSA-N 2 0 362.517 3.017 20 0 FGADRP C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)Nc2ccc3c(c2)OCC[NH2+]C3)C1 ZINC000528715240 504346203 /nfs/dbraw/zinc/34/62/03/504346203.db2.gz NMNBOPXIAADRHV-HOTGVXAUSA-N 2 0 374.529 3.047 20 0 FGADRP CC[C@@H]1C[C@@H](C)CC[C@H]1[NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000538759624 504359494 /nfs/dbraw/zinc/35/94/94/504359494.db2.gz LPLUCEGCSCIDFH-XUVXKRRUSA-N 2 0 359.562 3.183 20 0 FGADRP COc1cccc(CN(CC[NH+](C)C)Cc2cnc3ccc(C)cn23)c1 ZINC000519846670 504361669 /nfs/dbraw/zinc/36/16/69/504361669.db2.gz IMFVGBAXDHJKPD-UHFFFAOYSA-N 2 0 352.482 3.215 20 0 FGADRP C[C@@H]1c2ccccc2CN1C(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1 ZINC000542115878 504368596 /nfs/dbraw/zinc/36/85/96/504368596.db2.gz NGXDKYMTUGEZRY-GOSISDBHSA-N 2 0 370.541 3.223 20 0 FGADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](CCOc2ccc(F)cc2Cl)C1 ZINC000538782660 504369813 /nfs/dbraw/zinc/36/98/13/504369813.db2.gz XQZXQSZTKKRFRX-MRXNPFEDSA-N 2 0 358.885 3.291 20 0 FGADRP C[N@@H+]1CC[C@](O)(CNCc2ccc(-c3cccc(Cl)c3Cl)o2)C1 ZINC000545151631 504376410 /nfs/dbraw/zinc/37/64/10/504376410.db2.gz RNOCLKUBCOJPBJ-KRWDZBQOSA-N 2 0 355.265 3.410 20 0 FGADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)N2CCC[NH+](C(C)(C)C)CC2)C1 ZINC000519923829 504384779 /nfs/dbraw/zinc/38/47/79/504384779.db2.gz QOQVWOBULDLKGL-GOSISDBHSA-N 2 0 352.567 3.014 20 0 FGADRP C[C@@H](Cc1ccsc1)[NH+]1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000542158660 504385376 /nfs/dbraw/zinc/38/53/76/504385376.db2.gz KCWPJBOFJYXZTL-IBGZPJMESA-N 2 0 357.567 3.429 20 0 FGADRP COc1cccc(CC[NH2+]Cc2c(Cl)cccc2N2CC[NH+](C)CC2)c1 ZINC000538850552 504392594 /nfs/dbraw/zinc/39/25/94/504392594.db2.gz LRYBZDGTGZLUNI-UHFFFAOYSA-N 2 0 373.928 3.433 20 0 FGADRP COc1cc(C)ccc1[C@@H](C)[NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000531708451 504399480 /nfs/dbraw/zinc/39/94/80/504399480.db2.gz QZYZPCAAHSPVAS-LJQANCHMSA-N 2 0 368.525 3.262 20 0 FGADRP CC[C@H](C(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1)[NH+](CC)CC ZINC000538880696 504403433 /nfs/dbraw/zinc/40/34/33/504403433.db2.gz NZQZUPUEBFVGKR-HXUWFJFHSA-N 2 0 360.546 3.267 20 0 FGADRP C[C@@H](CC[NH+](C)C)NC(=O)NCc1ccccc1C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000520114764 504414944 /nfs/dbraw/zinc/41/49/44/504414944.db2.gz HCQFVWKKFKCUGW-QRVBRYPASA-N 2 0 374.573 3.304 20 0 FGADRP CC[N@H+](CCC1CC[NH+](Cc2cc(=O)n3ccccc3n2)CC1)CC1CC1 ZINC000538948114 504425407 /nfs/dbraw/zinc/42/54/07/504425407.db2.gz FYBCHGIZKLAHRH-UHFFFAOYSA-N 2 0 368.525 3.029 20 0 FGADRP C[C@@H]([NH2+]Cc1ccc(OCCO)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000548481469 504462016 /nfs/dbraw/zinc/46/20/16/504462016.db2.gz QOSYREVDWKXOMF-WIYYLYMNSA-N 2 0 354.494 3.058 20 0 FGADRP CC(C)[C@H]1CCC[C@H]1[NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000539072143 504464432 /nfs/dbraw/zinc/46/44/32/504464432.db2.gz MOMZADKXXHYXJB-NHCUHLMSSA-N 2 0 357.542 3.427 20 0 FGADRP Cc1cccc(NC(=O)C[C@@H](C)[NH2+]CCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000539071690 504464796 /nfs/dbraw/zinc/46/47/96/504464796.db2.gz YJDAHTCKFGEOBQ-QRVBRYPASA-N 2 0 361.530 3.191 20 0 FGADRP CC(C)[N@@H+]1CC[C@H](CNC(=O)[C@H](C)[NH+]2CCC(Cc3ccccc3)CC2)C1 ZINC000520339357 504470846 /nfs/dbraw/zinc/47/08/46/504470846.db2.gz QSUNDWAWWBQFAE-SIKLNZKXSA-N 2 0 371.569 3.176 20 0 FGADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)NCc1ccccc1C[NH+](C)C(C)C ZINC000520379654 504484028 /nfs/dbraw/zinc/48/40/28/504484028.db2.gz ITKZNYYNHDBCLB-FQEVSTJZSA-N 2 0 360.546 3.200 20 0 FGADRP CCO[C@@H]1C[C@H]([NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3C)CC2)[C@@]12CCCO2 ZINC000545458288 504493956 /nfs/dbraw/zinc/49/39/56/504493956.db2.gz ZGDQAMFUIXMBGK-OSTWSGHESA-N 2 0 350.547 3.346 20 0 FGADRP C[C@H]([NH2+]CCc1ccc(OCC[NH+]2C[C@@H](C)[C@H](C)C2)cc1)c1cnn(C)c1 ZINC000539294739 504522469 /nfs/dbraw/zinc/52/24/69/504522469.db2.gz FKWPGFMLKNBAQG-QRVBRYPASA-N 2 0 370.541 3.280 20 0 FGADRP CC[NH+](CC)C[C@@H](C)NC(=O)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000520544923 504524860 /nfs/dbraw/zinc/52/48/60/504524860.db2.gz BONPSOXWCVPTRW-GOSISDBHSA-N 2 0 352.567 3.014 20 0 FGADRP COc1cc(C)ccc1[C@@H](C)[NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000532193809 504569628 /nfs/dbraw/zinc/56/96/28/504569628.db2.gz CIHLENDUOZNKDA-QGZVFWFLSA-N 2 0 354.498 3.001 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC1(O)Cc2ccccc2C1 ZINC000532235628 504583010 /nfs/dbraw/zinc/58/30/10/504583010.db2.gz IEQKLGUHXLSUIK-GCJKJVERSA-N 2 0 350.506 3.017 20 0 FGADRP CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CC[NH+](CC)CC3)nc2)C1(CC)CC ZINC000539498794 504591665 /nfs/dbraw/zinc/59/16/65/504591665.db2.gz YPKGUMLJKCFRTR-WOJBJXKFSA-N 2 0 374.573 3.297 20 0 FGADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)N(C)[C@H](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000542745053 504593351 /nfs/dbraw/zinc/59/33/51/504593351.db2.gz STMKDAVLSVGEGJ-QZTJIDSGSA-N 2 0 374.573 3.488 20 0 FGADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)NCCCC[NH+]1CCC[C@H](C)C1 ZINC000520887485 504603692 /nfs/dbraw/zinc/60/36/92/504603692.db2.gz WPUQHAIPWSHRFO-VQTJNVASSA-N 2 0 366.594 3.452 20 0 FGADRP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+]2CC[C@@H](C)C(C)(C)C2)CC1 ZINC000520902276 504607265 /nfs/dbraw/zinc/60/72/65/504607265.db2.gz XGVJRAUQBSPZCV-LJQANCHMSA-N 2 0 371.569 3.444 20 0 FGADRP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000529284149 504619324 /nfs/dbraw/zinc/61/93/24/504619324.db2.gz CROSVSITDKYWBH-PXNSSMCTSA-N 2 0 370.541 3.145 20 0 FGADRP Cc1ccc([C@H](C)[N@H+](C)CC(=O)N2CCN(Cc3ccco3)CC2)c(C)c1 ZINC000532493519 504669340 /nfs/dbraw/zinc/66/93/40/504669340.db2.gz BZJWUTBOUBGLCH-IBGZPJMESA-N 2 0 369.509 3.234 20 0 FGADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCNc1ncc(C(F)(F)F)cc1Cl ZINC000532521765 504680678 /nfs/dbraw/zinc/68/06/78/504680678.db2.gz MMHWKWGIEKEXSS-MFKMUULPSA-N 2 0 350.816 3.096 20 0 FGADRP C[N@@H+]1CCC[C@@H](CCNC(=O)[C@@H]2CCCN2Cc2ccc(Cl)cc2)C1 ZINC000529484350 504694310 /nfs/dbraw/zinc/69/43/10/504694310.db2.gz WSHDOCJEMHWCIG-LPHOPBHVSA-N 2 0 363.933 3.153 20 0 FGADRP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccc4c(c3)CC(C)(C)O4)C2)CC1 ZINC000539824453 504704825 /nfs/dbraw/zinc/70/48/25/504704825.db2.gz FMKBRLRLLYZJJS-HXUWFJFHSA-N 2 0 357.542 3.000 20 0 FGADRP CCc1oc2ccccc2c1C[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000539825208 504705960 /nfs/dbraw/zinc/70/59/60/504705960.db2.gz NTPRGUSKPRLQCB-PXNSSMCTSA-N 2 0 355.526 3.453 20 0 FGADRP C(CC[NH+]1CCOCC2(CCC2)C1)CC[N@@H+]1CCOCC2(CCC2)C1 ZINC000546103173 504709693 /nfs/dbraw/zinc/70/96/93/504709693.db2.gz GSQDTMAFYVFJMO-UHFFFAOYSA-N 2 0 350.547 3.162 20 0 FGADRP C[C@@H](C[NH2+][C@H]1CCCc2c(Br)cccc21)N1CC[NH+](C)CC1 ZINC000543081624 504716899 /nfs/dbraw/zinc/71/68/99/504716899.db2.gz YHZKYCYAKPBBCL-KSSFIOAISA-N 2 0 366.347 3.052 20 0 FGADRP C[C@H]1C[NH+](CCC2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)C[C@H](C)O1 ZINC000539861647 504720945 /nfs/dbraw/zinc/72/09/45/504720945.db2.gz XEBMDPINOVPBAZ-ROUUACIJSA-N 2 0 358.526 3.333 20 0 FGADRP C[N@H+](CCOc1cccc(C[NH2+]Cc2ccc(F)cn2)c1)C1CCOCC1 ZINC000529539193 504720987 /nfs/dbraw/zinc/72/09/87/504720987.db2.gz ULRNYIVQPGRZGG-UHFFFAOYSA-N 2 0 373.472 3.000 20 0 FGADRP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)C1 ZINC000521593498 504761873 /nfs/dbraw/zinc/76/18/73/504761873.db2.gz DEFYACLYQBVQNZ-QRVBRYPASA-N 2 0 364.578 3.061 20 0 FGADRP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)CCOC[C@@H]3CCCO3)C2)s1 ZINC000565051664 504782399 /nfs/dbraw/zinc/78/23/99/504782399.db2.gz OSEDYOYAGNYOHV-MSOLQXFVSA-N 2 0 352.544 3.006 20 0 FGADRP C[C@H]([NH2+][C@H](CO)Cc1ccc(F)cc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000552922992 504788506 /nfs/dbraw/zinc/78/85/06/504788506.db2.gz DDMOVWBIDAJNOH-JXFKEZNVSA-N 2 0 360.473 3.020 20 0 FGADRP CC(C)Oc1ccc([C@H](C)[NH2+][C@H](C)CN2CC[NH+](C)CC2)cc1Cl ZINC000565121152 504800638 /nfs/dbraw/zinc/80/06/38/504800638.db2.gz RFZUNWQOHNYZLZ-CVEARBPZSA-N 2 0 353.938 3.414 20 0 FGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCc2cc(C(F)(F)F)ccn2)[C@H](C)C1 ZINC000556234061 504825249 /nfs/dbraw/zinc/82/52/49/504825249.db2.gz ULBDCTFLYCSEFW-CRAIPNDOSA-N 2 0 373.463 3.370 20 0 FGADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000549472591 504831647 /nfs/dbraw/zinc/83/16/47/504831647.db2.gz SRALUNYUWBLFHD-MSOLQXFVSA-N 2 0 366.937 3.116 20 0 FGADRP Fc1ccc(-n2cc(C[NH2+]CCCCC[NH+]3CCCC3)nn2)c(Cl)c1 ZINC000559328748 504836253 /nfs/dbraw/zinc/83/62/53/504836253.db2.gz RIRFQTLXQMEBMC-UHFFFAOYSA-N 2 0 365.884 3.416 20 0 FGADRP C[NH+](C)[C@H](CNC(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1cccc(F)c1 ZINC000553177555 504846507 /nfs/dbraw/zinc/84/65/07/504846507.db2.gz HARPZSBQVMBYIY-TZIWHRDSSA-N 2 0 369.484 3.067 20 0 FGADRP CC[C@H](C(=O)NC[C@H](c1cccs1)[NH+](C)C)[N@H+](C)Cc1ccccc1 ZINC000549737519 504884714 /nfs/dbraw/zinc/88/47/14/504884714.db2.gz LCEIKDPSBWBFTQ-QZTJIDSGSA-N 2 0 359.539 3.378 20 0 FGADRP CC(C)C1CCC([NH+]2CCN(C(=O)c3ccc4c[nH+]cn4c3)CC2)CC1 ZINC000559548232 504884823 /nfs/dbraw/zinc/88/48/23/504884823.db2.gz OYKQZIRELBEXNO-UHFFFAOYSA-N 2 0 354.498 3.307 20 0 FGADRP CC[C@H](C(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1)[N@H+](C)Cc1ccccc1 ZINC000549771314 504893530 /nfs/dbraw/zinc/89/35/30/504893530.db2.gz JQFWOLGVXFYBDO-LEWJYISDSA-N 2 0 357.542 3.231 20 0 FGADRP Cc1ccc([C@H](CNC(=O)[C@@H]2CC[N@H+](Cc3ccccc3)C2)[NH+](C)C)cc1 ZINC000553391829 504902099 /nfs/dbraw/zinc/90/20/99/504902099.db2.gz JQFDODVUKMNDCA-YADHBBJMSA-N 2 0 365.521 3.236 20 0 FGADRP CC[C@H]([NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1ccc(C(=O)OC)cc1 ZINC000559742869 504921425 /nfs/dbraw/zinc/92/14/25/504921425.db2.gz GUAYBSZGBSJCPM-HLIPFELVSA-N 2 0 362.514 3.403 20 0 FGADRP Cc1cccc(-c2n[nH]cc2C[NH+]2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)c1 ZINC000562751395 504933473 /nfs/dbraw/zinc/93/34/73/504933473.db2.gz QTTOMGDFEZTUGJ-TZIWHRDSSA-N 2 0 354.498 3.103 20 0 FGADRP COc1cccc(C[NH+]2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)c1OC(F)F ZINC000565645537 504946999 /nfs/dbraw/zinc/94/69/99/504946999.db2.gz ZQKRTTIYKCAZMK-WBVHZDCISA-N 2 0 370.440 3.015 20 0 FGADRP C[NH+](C)CC1CCC([NH2+]C[C@@H](O)COc2cccc(C(F)(F)F)c2)CC1 ZINC000565711843 504965865 /nfs/dbraw/zinc/96/58/65/504965865.db2.gz HTKMIJOKMAFTNL-BDVYOWHSSA-N 2 0 374.447 3.155 20 0 FGADRP C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)c1ccc(C[NH+](C)C)nc1 ZINC000550144084 504977444 /nfs/dbraw/zinc/97/74/44/504977444.db2.gz RHVJKPRBVYFMFN-UHFFFAOYSA-N 2 0 374.916 3.001 20 0 FGADRP CC1CC[NH+](Cc2ccccc2CNC(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC000550222445 504995610 /nfs/dbraw/zinc/99/56/10/504995610.db2.gz IPHDOIRZJXHHBE-UHFFFAOYSA-N 2 0 362.477 3.496 20 0 FGADRP O[C@H](C[NH2+][C@@H]1CCN(Cc2ccccc2)C2(CC2)C1)Cc1ccccc1 ZINC000565833082 505001334 /nfs/dbraw/zinc/00/13/34/505001334.db2.gz KMDBPPAQGHTKAH-YADHBBJMSA-N 2 0 350.506 3.377 20 0 FGADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+]CCN2CCOC(C)(C)C2)CC1 ZINC000556870208 505001405 /nfs/dbraw/zinc/00/14/05/505001405.db2.gz FSTCGSBYHWRVLT-UHFFFAOYSA-N 2 0 359.558 3.130 20 0 FGADRP C[C@H](CNC(=O)N(C)CCC[N@H+](C)Cc1ccco1)[NH+]1CCCC[C@H]1C ZINC000553770716 505004717 /nfs/dbraw/zinc/00/47/17/505004717.db2.gz WBAPEGYHLCWJNO-QZTJIDSGSA-N 2 0 364.534 3.006 20 0 FGADRP CCC[N@@H+]1CC[C@@H](C[NH2+]C[C@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000562985182 505009639 /nfs/dbraw/zinc/00/96/39/505009639.db2.gz ICVAMZVQXQYEGS-ZFWWWQNUSA-N 2 0 361.313 3.055 20 0 FGADRP CCC[N@@H+](CC(=O)N1CCC[NH+](Cc2ccc(C)cc2)CC1)CC(C)C ZINC000553826834 505020685 /nfs/dbraw/zinc/02/06/85/505020685.db2.gz CMNVCUNSRSQKGO-UHFFFAOYSA-N 2 0 359.558 3.397 20 0 FGADRP CN(C)CC[NH+]1CCC(C[NH2+][C@@H]2C[C@@H](Oc3ccccc3)C2(C)C)CC1 ZINC000560246133 505028750 /nfs/dbraw/zinc/02/87/50/505028750.db2.gz MNLIJNKKWFKDKN-NHCUHLMSSA-N 2 0 359.558 3.096 20 0 FGADRP C[N@@H+]1CCC[C@@H]2CN(Cc3cccc(I)c3)CC[C@@H]21 ZINC000560258786 505032202 /nfs/dbraw/zinc/03/22/02/505032202.db2.gz SCRIMTQCDGNHMA-ZBFHGGJFSA-N 2 0 370.278 3.207 20 0 FGADRP [NH3+][C@@H]1CCO[C@H](C2CC[NH+](Cc3c[nH]nc3-c3cccc(Cl)c3)CC2)C1 ZINC000556963813 505032363 /nfs/dbraw/zinc/03/23/63/505032363.db2.gz JSAJSXNKZDELBN-MOPGFXCFSA-N 2 0 374.916 3.448 20 0 FGADRP CCC[NH+]1CCN(c2ccccc2C[N@@H+]2CCC[C@H]2[C@H]2CCCO2)CC1 ZINC000560265078 505033717 /nfs/dbraw/zinc/03/37/17/505033717.db2.gz DGCKGDCGJUNROJ-FCHUYYIVSA-N 2 0 357.542 3.362 20 0 FGADRP CC(C)[N@H+](C)CC1CCN(C(=O)c2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000556974025 505036114 /nfs/dbraw/zinc/03/61/14/505036114.db2.gz HEAVNVQWWRBNRA-UHFFFAOYSA-N 2 0 357.542 3.475 20 0 FGADRP C[C@@H](NC(=O)Nc1ccc2c(c1)C[NH2+]CC2)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000557036127 505049257 /nfs/dbraw/zinc/04/92/57/505049257.db2.gz ZNGCVSKTFOYMNY-NVXWUHKLSA-N 2 0 356.514 3.107 20 0 FGADRP CC(C)[C@@H](CNC(=O)Nc1ccc2c(c1)C[NH2+]CCO2)[NH+]1CCC(C)CC1 ZINC000557051528 505054231 /nfs/dbraw/zinc/05/42/31/505054231.db2.gz IQOSMRWODMRVAY-LJQANCHMSA-N 2 0 374.529 3.047 20 0 FGADRP C[C@@H](C(=O)N1CCCC[C@@H]1C[NH+](C)C)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000553975772 505058333 /nfs/dbraw/zinc/05/83/33/505058333.db2.gz MQSYYZNHFKONOP-SIKLNZKXSA-N 2 0 371.569 3.272 20 0 FGADRP C[C@@H](NC(=O)CC[N@@H+]1CCc2ccccc2C1)[C@@H](c1ccccc1)[NH+](C)C ZINC000557072656 505059389 /nfs/dbraw/zinc/05/93/89/505059389.db2.gz WVKFCHPMWUEPKP-JPYJTQIMSA-N 2 0 365.521 3.242 20 0 FGADRP C[C@@H]1C[NH+](Cc2ccc(C[NH2+][C@H]3COc4ccccc4C3)cc2)C[C@@H](C)O1 ZINC000550607119 505072328 /nfs/dbraw/zinc/07/23/28/505072328.db2.gz NTFYAQINOUZFRY-JBYIUTFZSA-N 2 0 366.505 3.389 20 0 FGADRP CC1CC[NH+](Cc2cccc(CNC(=O)c3ccc4c[nH+]cn4c3)c2)CC1 ZINC000550687429 505085413 /nfs/dbraw/zinc/08/54/13/505085413.db2.gz FZLODJXGRVVVTD-UHFFFAOYSA-N 2 0 362.477 3.496 20 0 FGADRP C[C@H]1C[C@H]1[N@@H+]1CCN(C(=O)[C@@H]2CCCC[NH+]2Cc2ccccc2)C[C@@H](C)C1 ZINC000554128612 505099580 /nfs/dbraw/zinc/09/95/80/505099580.db2.gz OYHXXIJSBCIVBQ-BLKABHOGSA-N 2 0 369.553 3.230 20 0 FGADRP CC1CC[NH+](Cc2cccc(CNC(=O)C[C@@H]3CCCC[C@H]3[NH3+])c2)CC1 ZINC000566157403 505100396 /nfs/dbraw/zinc/10/03/96/505100396.db2.gz FDEQREYRENDLNQ-LEWJYISDSA-N 2 0 357.542 3.442 20 0 FGADRP CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)C[C@@H]1CCCC[C@H]1[NH3+] ZINC000566171967 505104453 /nfs/dbraw/zinc/10/44/53/505104453.db2.gz LDKJKVMQMJDPAP-DLBZAZTESA-N 2 0 371.529 3.224 20 0 FGADRP CC[NH+](CC)CCN(Cc1ccccc1)C(=O)NCc1ccc(C[NH3+])cc1 ZINC000566188819 505107845 /nfs/dbraw/zinc/10/78/45/505107845.db2.gz TYRDAXKLKNADMI-UHFFFAOYSA-N 2 0 368.525 3.199 20 0 FGADRP CCC[C@H](C)C(=O)NCC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000550837491 505112529 /nfs/dbraw/zinc/11/25/29/505112529.db2.gz YOCHGRWDPQHJBA-WJMWBRGCSA-N 2 0 357.542 3.324 20 0 FGADRP CCc1ccc([C@H](CNC(=O)N2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)[NH+](C)C)cc1 ZINC000554217072 505117847 /nfs/dbraw/zinc/11/78/47/505117847.db2.gz UYYDYUNQVKVFOO-YYWHXJBOSA-N 2 0 372.557 3.120 20 0 FGADRP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(COC3CCOCC3)cc2)[C@@H]2CCC[C@@H]21 ZINC000560544126 505121090 /nfs/dbraw/zinc/12/10/90/505121090.db2.gz FFGWZPVBLHKWSR-FKBYEOEOSA-N 2 0 358.526 3.345 20 0 FGADRP Cc1ccc(-c2noc(CCC[N@@H+]3C[C@@H]4CCC[C@@H]([NH3+])[C@@H]4C3)n2)cc1F ZINC000566244452 505121901 /nfs/dbraw/zinc/12/19/01/505121901.db2.gz UXXUSAXJGKEFRT-LZLYRXPVSA-N 2 0 358.461 3.176 20 0 FGADRP O[C@H](Cc1cccc(Cl)c1)C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000554250756 505124894 /nfs/dbraw/zinc/12/48/94/505124894.db2.gz VFISUZOYMYKJFJ-RZUBCFFCSA-N 2 0 370.924 3.307 20 0 FGADRP C[NH+](C)[C@@H](CNC(=O)c1ccccc1CC1CC[NH2+]CC1)c1ccccc1 ZINC000566286979 505134830 /nfs/dbraw/zinc/13/48/30/505134830.db2.gz ORXFBKZTKIVNRP-QFIPXVFZSA-N 2 0 365.521 3.261 20 0 FGADRP CC(C)[NH+]1CCC(NC(=O)CN2[C@@H](C)Cc3cc(F)ccc3[C@@H]2C)CC1 ZINC000560638090 505150683 /nfs/dbraw/zinc/15/06/83/505150683.db2.gz ICGCAPGBMPAQDI-HOTGVXAUSA-N 2 0 361.505 3.122 20 0 FGADRP CC[NH+]1CCC(NC(=O)C[NH2+][C@@H](Cc2ccccc2)c2ccccc2)CC1 ZINC000560833966 505198406 /nfs/dbraw/zinc/19/84/06/505198406.db2.gz PIGDAVAJKLTOME-QFIPXVFZSA-N 2 0 365.521 3.161 20 0 FGADRP COCC[NH+](CCOC)C1CCN(c2cc(C)[nH+]c3ccccc32)CC1 ZINC000557721434 505213113 /nfs/dbraw/zinc/21/31/13/505213113.db2.gz GBWBAZBFMMEBIE-UHFFFAOYSA-N 2 0 357.498 3.107 20 0 FGADRP C[C@H]1C[C@H](C[N@@H+]2C[C@H]3CCC[C@@]3(c3nc(-c4ccccc4)no3)C2)CC[NH2+]1 ZINC000560965869 505217590 /nfs/dbraw/zinc/21/75/90/505217590.db2.gz DJGFNSOJMBADBP-ODULNIPZSA-N 2 0 366.509 3.478 20 0 FGADRP O=C(Nc1cccc2c1CC[NH2+]C2)NC1CC[NH+](CC2CCCC2)CC1 ZINC000561046038 505237318 /nfs/dbraw/zinc/23/73/18/505237318.db2.gz RGNOOQRTIVWNLZ-UHFFFAOYSA-N 2 0 356.514 3.108 20 0 FGADRP C[C@](CO)(C[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)Cc1ccccc1 ZINC000563804499 505243889 /nfs/dbraw/zinc/24/38/89/505243889.db2.gz PTLZNJUYPMGLQY-YMPZKCBVSA-N 2 0 366.505 3.073 20 0 FGADRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C[C@@H](c2nccn2C)C(F)(F)F)C1 ZINC000561180192 505273407 /nfs/dbraw/zinc/27/34/07/505273407.db2.gz LQKVEGGULUIPRP-KGLIPLIRSA-N 2 0 374.451 3.083 20 0 FGADRP C[NH+]1CCC2(CCCN2C(=O)N[C@H](C[NH3+])c2ccc3ccccc3c2)CC1 ZINC000561212314 505282421 /nfs/dbraw/zinc/28/24/21/505282421.db2.gz XAXUXNXOQRWICA-HXUWFJFHSA-N 2 0 366.509 3.109 20 0 FGADRP C[C@@H]1C[C@@H]1[N@@H+]1CCN(C(=O)c2ccc(C[NH+]3CCCCC3)cc2)C[C@@H](C)C1 ZINC000558012324 505285627 /nfs/dbraw/zinc/28/56/27/505285627.db2.gz POFWCCPBWPXZQZ-JQVVWYNYSA-N 2 0 369.553 3.475 20 0 FGADRP C[C@@H]1C[C@H]1[N@@H+]1CCN(C(=O)C2CC[NH+](Cc3ccccc3)CC2)C[C@@H](C)C1 ZINC000558022186 505288302 /nfs/dbraw/zinc/28/83/02/505288302.db2.gz HWVJMFVFITYAQO-NNMXDRDESA-N 2 0 369.553 3.087 20 0 FGADRP [NH3+][C@H]1CCCO[C@H]1C1CC[NH+](Cc2cc(-c3ccc(F)cc3)no2)CC1 ZINC000561280731 505302597 /nfs/dbraw/zinc/30/25/97/505302597.db2.gz OQMFWUIBTBGDQC-ICSRJNTNSA-N 2 0 359.445 3.199 20 0 FGADRP C[C@@H]1C[C@@H]([NH2+]Cc2nnc(C3CC[NH2+]CC3)[nH]2)C[C@H](c2ccccc2)C1 ZINC000566968291 505326548 /nfs/dbraw/zinc/32/65/48/505326548.db2.gz MPPVMWMAJVZXNX-KFKAGJAMSA-N 2 0 353.514 3.334 20 0 FGADRP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)CCC(=O)NC3CCCC3)C2)s1 ZINC000566977673 505328906 /nfs/dbraw/zinc/32/89/06/505328906.db2.gz XNWLDQOZARDGDO-QGZVFWFLSA-N 2 0 363.571 3.259 20 0 FGADRP Cc1ccccc1[C@H]([NH3+])C(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000567046554 505348472 /nfs/dbraw/zinc/34/84/72/505348472.db2.gz GUPNELKWDTWWSJ-AYOQOUSVSA-N 2 0 357.523 3.256 20 0 FGADRP COc1cccc(O[C@H](C)C[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000567159387 505381025 /nfs/dbraw/zinc/38/10/25/505381025.db2.gz UHTSFDWEIWBWJQ-BUVFEPMLSA-N 2 0 368.477 3.308 20 0 FGADRP CC[C@H]([NH2+]C[C@@H](C)N1CC[NH+](C)CC1)c1ccc(OC(F)(F)F)cc1 ZINC000552048621 505381702 /nfs/dbraw/zinc/38/17/02/505381702.db2.gz YIYBXCZBNGCMNJ-PBHICJAKSA-N 2 0 359.436 3.262 20 0 FGADRP COc1ccc(C[N@H+](C)CCCn2ccnc2)c(OCc2cccnc2)c1 ZINC000564322620 505383954 /nfs/dbraw/zinc/38/39/54/505383954.db2.gz YHSCEEHBCPLPNH-UHFFFAOYSA-N 2 0 366.465 3.388 20 0 FGADRP C[NH+]1CCC(Oc2ccc(C[NH2+][C@@H]3CC[N@H+](C)[C@H]4CCC[C@@H]43)cc2)CC1 ZINC000552063800 505387073 /nfs/dbraw/zinc/38/70/73/505387073.db2.gz NLCBBKSWHOJVLC-VSKRKVRLSA-N 3 0 357.542 3.122 20 0 FGADRP C[C@H](C[NH2+]Cc1c(Cl)cc(Cl)cc1N(C)C)CN1CC[NH+](C)CC1 ZINC000558483438 505405115 /nfs/dbraw/zinc/40/51/15/505405115.db2.gz QMPYLYHPYICUIM-CQSZACIVSA-N 2 0 373.372 3.033 20 0 FGADRP CCCC[N@H+](C)C[C@@H](C)NC(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000558598426 505434659 /nfs/dbraw/zinc/43/46/59/505434659.db2.gz AUWWWNIXCSSTSC-GOSISDBHSA-N 2 0 360.546 3.071 20 0 FGADRP Fc1ccc2c(c1)C[C@@H]([NH2+]C1CCN(CCc3ccccc3)CC1)CO2 ZINC000561785988 505437182 /nfs/dbraw/zinc/43/71/82/505437182.db2.gz SOOHPQDNQGKVJV-OAQYLSRUSA-N 2 0 354.469 3.426 20 0 FGADRP CCCC[N@H+](C)C[C@@H](C)NC(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C[C@@H]1C ZINC000567410583 505454339 /nfs/dbraw/zinc/45/43/39/505454339.db2.gz XDJVCJDKXICNTF-QKNQBKEWSA-N 2 0 374.573 3.317 20 0 FGADRP C[C@H]1CCCC[N@@H+]1CCC(=O)Nc1ccc2ccn(CC[NH+](C)C)c2c1 ZINC000555560785 505457839 /nfs/dbraw/zinc/45/78/39/505457839.db2.gz MXGHMZKDWGQYPC-KRWDZBQOSA-N 2 0 356.514 3.406 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000567452940 505468299 /nfs/dbraw/zinc/46/82/99/505468299.db2.gz BCTCMNVWFCMWDC-IIBYNOLFSA-N 2 0 364.493 3.322 20 0 FGADRP C[C@H]([NH2+][C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)c1cccc2ccccc21 ZINC000567604317 505511713 /nfs/dbraw/zinc/51/17/13/505511713.db2.gz OVEXLUPKKUXRKG-GNSUPJDDSA-N 2 0 351.494 3.137 20 0 FGADRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1cccc(-c2nc(CC(F)(F)F)no2)c1 ZINC000562093067 505516304 /nfs/dbraw/zinc/51/63/04/505516304.db2.gz UWRVKSCZDULSAH-WFASDCNBSA-N 2 0 368.403 3.271 20 0 FGADRP CC1CC[NH+](CCc2cccc(NC(=O)[C@H]([NH3+])Cc3ccccc3)c2)CC1 ZINC000564792413 505521636 /nfs/dbraw/zinc/52/16/36/505521636.db2.gz ISDFDRKRDOTVEE-JOCHJYFZSA-N 2 0 365.521 3.470 20 0 FGADRP Cc1ccc(Cl)c(OC[C@@H](O)C[NH2+]Cc2cccc(C[NH+](C)C)c2)c1 ZINC000564793390 505521911 /nfs/dbraw/zinc/52/19/11/505521911.db2.gz GRJPWQULVCEZOU-SFHVURJKSA-N 2 0 362.901 3.240 20 0 FGADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(N2CCc3ccccc3C2)nc1 ZINC000567647089 505523222 /nfs/dbraw/zinc/52/32/22/505523222.db2.gz SSSVVMLPLMQVRG-TZIWHRDSSA-N 2 0 350.510 3.251 20 0 FGADRP Cc1ccccc1OC[C@@H](O)C[NH2+]Cc1cccc(C[NH+]2CCCC2)c1 ZINC000567677899 505533543 /nfs/dbraw/zinc/53/35/43/505533543.db2.gz DFJDOOUNGWSDGM-NRFANRHFSA-N 2 0 354.494 3.120 20 0 FGADRP CCc1ccc([C@H](CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)[NH+](CC)CC)cc1 ZINC000562181586 505534079 /nfs/dbraw/zinc/53/40/79/505534079.db2.gz SVOKZIUGJHFCBY-YYWHXJBOSA-N 2 0 359.558 3.478 20 0 FGADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]C[C@@H](O)COc2cccc3ccccc32)C1 ZINC000567680715 505534233 /nfs/dbraw/zinc/53/42/33/505534233.db2.gz CXQJUDOQZIUBOW-AZUAARDMSA-N 2 0 356.510 3.290 20 0 FGADRP CC[NH+]1CCC(CC[NH2+]C[C@@H](O)COc2ccccc2C(F)(F)F)CC1 ZINC000564855351 505540404 /nfs/dbraw/zinc/54/04/04/505540404.db2.gz WKLHGDRUUQYDKH-MRXNPFEDSA-N 2 0 374.447 3.157 20 0 FGADRP CCO[C@@H]1C[C@H]([NH2+][C@H]2CCN(Cc3ccccc3)C3(CC3)C2)[C@]12CCCO2 ZINC000567851680 505568379 /nfs/dbraw/zinc/56/83/79/505568379.db2.gz WUCDLWOPVDJRMS-NNXSRULWSA-N 2 0 370.537 3.500 20 0 FGADRP CC1(C)C[NH2+][C@H]1C1CCN(C(=O)c2ccccc2CC2CC[NH2+]CC2)CC1 ZINC000582727512 506386797 /nfs/dbraw/zinc/38/67/97/506386797.db2.gz XKOCMEGMUQJZDM-NRFANRHFSA-N 2 0 369.553 3.079 20 0 FGADRP Cc1ccc(-c2n[nH]cc2C[NH+]2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)cc1 ZINC000582833055 506446141 /nfs/dbraw/zinc/44/61/41/506446141.db2.gz FYXXXJUGSNZZFG-WOJBJXKFSA-N 2 0 354.498 3.103 20 0 FGADRP C[NH+](C)CCOc1ccc(C[N@@H+]2CCC[C@H](C(=O)OC(C)(C)C)C2)cc1 ZINC000589197033 506478890 /nfs/dbraw/zinc/47/88/90/506478890.db2.gz UUGGBRYYWXOMDX-SFHVURJKSA-N 2 0 362.514 3.181 20 0 FGADRP CC[NH+](CC)Cc1ccc(CNC(=O)N2CCC(C[NH+](C)C)CC2)cc1 ZINC000612207575 506482654 /nfs/dbraw/zinc/48/26/54/506482654.db2.gz LJCZNTJCSNQFMQ-UHFFFAOYSA-N 2 0 360.546 3.012 20 0 FGADRP CCCC[N@H+](C)CC1CC[NH+]([C@H](C)C(=O)NCc2ccc(C)cc2)CC1 ZINC000582922068 506490385 /nfs/dbraw/zinc/49/03/85/506490385.db2.gz VRNWJHLRSDZWMQ-LJQANCHMSA-N 2 0 359.558 3.444 20 0 FGADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)N[C@@H]1CC[C@H]2CCCC[C@H]2C1 ZINC000612239166 506493716 /nfs/dbraw/zinc/49/37/16/506493716.db2.gz IAJSTXVNFXPJJL-HSALFYBXSA-N 2 0 366.594 3.260 20 0 FGADRP C[C@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000582965062 506513096 /nfs/dbraw/zinc/51/30/96/506513096.db2.gz ZEFLWJKETKDWMR-CBGDNZLLSA-N 2 0 365.477 3.490 20 0 FGADRP C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)c1cccc(C[N@H+](C)Cc2ccccc2)c1 ZINC000582972059 506516907 /nfs/dbraw/zinc/51/69/07/506516907.db2.gz CEQGPLHYQQVOGQ-UTKZUKDTSA-N 2 0 351.494 3.270 20 0 FGADRP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)N2CCC(C[NH3+])CC2)C1 ZINC000583133106 506608934 /nfs/dbraw/zinc/60/89/34/506608934.db2.gz UJXURSMGLUWTPB-QZTJIDSGSA-N 2 0 372.557 3.045 20 0 FGADRP C[C@H](NC(=O)N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1)C1CC[NH+](C)CC1 ZINC000608693365 506668278 /nfs/dbraw/zinc/66/82/78/506668278.db2.gz PWDDOPOZTXNQEA-MOPGFXCFSA-N 2 0 372.557 3.023 20 0 FGADRP COCCCn1nccc1C[N@@H+]1CCCC[C@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000583321792 506716778 /nfs/dbraw/zinc/71/67/78/506716778.db2.gz FEPXZWFGYOACBE-IRLDBZIGSA-N 2 0 370.541 3.092 20 0 FGADRP COC(=O)c1oc(CNCc2ccc(-n3ccnc3C)c(F)c2)cc1C ZINC000597046193 506748053 /nfs/dbraw/zinc/74/80/53/506748053.db2.gz BAEVDOIAQIZKAV-UHFFFAOYSA-N 2 0 357.385 3.298 20 0 FGADRP O=C1[C@H]([N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)CCN1c1ccc(Cl)c(Cl)c1 ZINC000583441382 506781746 /nfs/dbraw/zinc/78/17/46/506781746.db2.gz YTLGIVCGBHAJOJ-IIYDPXPESA-N 2 0 368.308 3.030 20 0 FGADRP CC[NH+](CC)CCCNC(=O)C1CC[NH+](C[C@@H]2CCCC[C@@H]2C)CC1 ZINC000583661292 506899899 /nfs/dbraw/zinc/89/98/99/506899899.db2.gz JDRYCBCFLBYOPS-ICSRJNTNSA-N 2 0 351.579 3.373 20 0 FGADRP Cc1ccc(OCC[N@@H+](C)C[C@H](O)Cn2cnc3cc(C)c(C)cc32)cc1 ZINC000613340913 507040536 /nfs/dbraw/zinc/04/05/36/507040536.db2.gz CGQWSATYCPNRTH-IBGZPJMESA-N 2 0 367.493 3.333 20 0 FGADRP C[NH+](C)CC[C@H]([NH2+]CC1(O)CCC(C(=O)OC(C)(C)C)CC1)C(C)(C)C ZINC000600723875 507083221 /nfs/dbraw/zinc/08/32/21/507083221.db2.gz MUEIGGRCTYCZRH-BATSVXPKSA-N 2 0 370.578 3.205 20 0 FGADRP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H](c1ccccc1OC)[NH+]1CCCCC1 ZINC000591097761 507113773 /nfs/dbraw/zinc/11/37/73/507113773.db2.gz FIAFBIYZLJEKHK-PMACEKPBSA-N 2 0 373.541 3.213 20 0 FGADRP CCCC[N@H+](C)CC1CC[NH+](C[C@@H](O)COc2cc(C)cc(C)c2)CC1 ZINC000613491388 507117565 /nfs/dbraw/zinc/11/75/65/507117565.db2.gz PLWVZYREPWRNDM-OAQYLSRUSA-N 2 0 362.558 3.487 20 0 FGADRP C[C@H](CC[S@](C)=O)[NH2+][C@@H]1CCCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000584188201 507200613 /nfs/dbraw/zinc/20/06/13/507200613.db2.gz SKUJOICQCSJSII-VGKUOYCKSA-N 2 0 362.583 3.424 20 0 FGADRP CC(C)[NH2+][C@@H]1CCCN(C(=O)[C@@H](C)[NH+]2CCC(Cc3ccccc3)CC2)C1 ZINC000600980877 507214176 /nfs/dbraw/zinc/21/41/76/507214176.db2.gz MPDDPVWBAZHXJP-DENIHFKCSA-N 2 0 371.569 3.319 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)NCC1CC[NH+](C)CC1 ZINC000591452006 507255698 /nfs/dbraw/zinc/25/56/98/507255698.db2.gz NSFZZQVAKCYTSV-GOSISDBHSA-N 2 0 373.541 3.011 20 0 FGADRP C[N@@H+]1CCC[C@@H](C[NH2+][C@@H]2CCc3ccc(I)cc32)C1 ZINC000595015363 507354930 /nfs/dbraw/zinc/35/49/30/507354930.db2.gz CQTTUJQKKRONGT-BLLLJJGKSA-N 2 0 370.278 3.210 20 0 FGADRP C[C@H](OC[C@@H](O)C[NH2+]CC[C@H]1CCC[N@H+](C)C1)c1ccc(Cl)cc1 ZINC000584464669 507359374 /nfs/dbraw/zinc/35/93/74/507359374.db2.gz CSXBGSNNFFSPQQ-FCEWJHQRSA-N 2 0 354.922 3.100 20 0 FGADRP O=C(NCc1cccc(-n2ccnc2)c1)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC000584570610 507416580 /nfs/dbraw/zinc/41/65/80/507416580.db2.gz ZTHGIUUADPDGIC-HXUWFJFHSA-N 2 0 352.482 3.286 20 0 FGADRP CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)[C@H]1CCCC[C@]1(C)[NH3+] ZINC000584617427 507432625 /nfs/dbraw/zinc/43/26/25/507432625.db2.gz UCTSRYYMIGWNSM-CTNGQTDRSA-N 2 0 358.530 3.054 20 0 FGADRP CC[NH+](CC)Cc1ccccc1CNC(=O)N1CC[N@H+](C)C[C@H]1C(C)C ZINC000606627716 507458585 /nfs/dbraw/zinc/45/85/85/507458585.db2.gz XWQVGDCELJTVHW-FQEVSTJZSA-N 2 0 360.546 3.010 20 0 FGADRP C[C@H](NC(=O)NCc1ccccc1C[NH+]1CCCCC1)C1CC[NH+](C)CC1 ZINC000606627886 507458867 /nfs/dbraw/zinc/45/88/67/507458867.db2.gz IRAFNUDFQYSDCG-SFHVURJKSA-N 2 0 372.557 3.202 20 0 FGADRP CC[NH+](CC)C[C@H](C)NC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000606659594 507472387 /nfs/dbraw/zinc/47/23/87/507472387.db2.gz OOTBDALOIJVJOW-QKNQBKEWSA-N 2 0 374.573 3.411 20 0 FGADRP C[NH+](C)[C@H](CNC(=O)Nc1ccn2ccnc2c1)c1ccc(Cl)cc1 ZINC000584868490 507548195 /nfs/dbraw/zinc/54/81/95/507548195.db2.gz BKSCWMBAHDYSHE-MRXNPFEDSA-N 2 0 357.845 3.412 20 0 FGADRP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000595825833 507701526 /nfs/dbraw/zinc/70/15/26/507701526.db2.gz JSCICDKNUQZGRR-VQTJNVASSA-N 2 0 364.578 3.301 20 0 FGADRP COC(=O)[C@H]1CCCC[C@]1(C)[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000611526027 507723349 /nfs/dbraw/zinc/72/33/49/507723349.db2.gz ILKQNTTVQLECBO-IRLDBZIGSA-N 2 0 374.525 3.373 20 0 FGADRP C[C@@H]1CN(C(=O)[C@@H](C[NH+]2CCCC2)c2ccccc2)CC[N@@H+](C2CCC2)C1 ZINC000615193029 507773970 /nfs/dbraw/zinc/77/39/70/507773970.db2.gz CYLQUAJFAWXLBU-UGKGYDQZSA-N 2 0 369.553 3.199 20 0 FGADRP Cc1ccc2oc(=NCCC[NH+]3CCN(c4cc[nH+]cc4)CC3)[nH]c2c1 ZINC000513615448 516691810 /nfs/dbraw/zinc/69/18/10/516691810.db2.gz QVMDVUDSCPPHSB-UHFFFAOYSA-N 2 0 351.454 3.155 20 0 FGADRP O=C(C[N@@H+]1CCC[C@@H]1c1ccccc1)N1CCN(Cc2cccs2)CC1 ZINC000054670258 568391519 /nfs/dbraw/zinc/39/15/19/568391519.db2.gz BYZOLQQREFYOMZ-HXUWFJFHSA-N 2 0 369.534 3.229 20 0 FGADRP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N1CC[NH+](Cc2ccccc2)CC[C@@H]1C ZINC000643257918 568416977 /nfs/dbraw/zinc/41/69/77/568416977.db2.gz FQJKZTPSJBVVDM-MOPGFXCFSA-N 2 0 360.546 3.021 20 0 FGADRP c1cc(-c2nn[nH]n2)sc1C[NH2+]Cc1ccccc1C[NH+]1CCCCC1 ZINC000823779325 606406796 /nfs/dbraw/zinc/40/67/96/606406796.db2.gz AMMPGBKXMSOQGX-UHFFFAOYSA-N 2 0 368.510 3.204 20 0 FGADRP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+][C@@H]2CCCc3cc(-c4nn[nH]n4)ccc32)C1 ZINC000824261872 608524515 /nfs/dbraw/zinc/52/45/15/608524515.db2.gz SNQSQFNPCKPVJM-OXJNMPFZSA-N 2 0 368.529 3.202 20 0 FGADRP C[C@H]([NH2+]CCCC[N@@H+]1CCCC[C@@H]1C)c1ccc(-c2nn[nH]n2)cc1F ZINC000824585281 609325910 /nfs/dbraw/zinc/32/59/10/609325910.db2.gz PCFFCELHBNCCSO-GJZGRUSLSA-N 2 0 360.481 3.311 20 0 FGADRP Cc1nn(-c2ccc(F)cc2)c(Cl)c1C[NH2+]CC1CC[NH+](C)CC1 ZINC000105459240 700501027 /nfs/dbraw/zinc/50/10/27/700501027.db2.gz LBNONYQJTULCOF-UHFFFAOYSA-N 2 0 350.869 3.405 20 0 FGADRP C[NH+](C)CCCCCCCNC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000107840272 700520351 /nfs/dbraw/zinc/52/03/51/700520351.db2.gz GVDHQXOJAYHUCH-LJQANCHMSA-N 2 0 352.567 3.158 20 0 FGADRP CN(C)c1ccc(N2CCC([NH2+]C[C@@](C)(O)c3cccs3)CC2)cc1 ZINC000156979065 705139259 /nfs/dbraw/zinc/13/92/59/705139259.db2.gz GNEAJOJGAVGNHJ-HXUWFJFHSA-N 2 0 359.539 3.280 20 0 FGADRP COc1cc(Cl)c(C[NH2+]CCCN2CCC[N@H+](C)CC2)cc1Cl ZINC000157235212 705148803 /nfs/dbraw/zinc/14/88/03/705148803.db2.gz HWEKKGNDHQKEBX-UHFFFAOYSA-N 2 0 360.329 3.119 20 0 FGADRP COc1ccc(Cl)cc1N1CC[C@H]([NH2+][C@@H](C)C2CC[NH+](C)CC2)C1 ZINC000157984313 705169322 /nfs/dbraw/zinc/16/93/22/705169322.db2.gz ALOPHUVCTIHGFU-YOEHRIQHSA-N 2 0 351.922 3.247 20 0 FGADRP CCC[NH+]1CCC([NH2+]CCC(=O)Nc2cc(Cl)ccc2OC)CC1 ZINC000158070598 705171432 /nfs/dbraw/zinc/17/14/32/705171432.db2.gz DNZHVVRVTSOXEO-UHFFFAOYSA-N 2 0 353.894 3.141 20 0 FGADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)C[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000160476703 705254401 /nfs/dbraw/zinc/25/44/01/705254401.db2.gz SEWJCYSOFRLGNC-KSZLIROESA-N 2 0 353.551 3.486 20 0 FGADRP COc1cc([C@H](C)[NH2+]CCCN2CC[NH+](C)CC2)ccc1SC(F)F ZINC000162566884 705298983 /nfs/dbraw/zinc/29/89/83/705298983.db2.gz GKUBEOHQYDTPAP-AWEZNQCLSA-N 2 0 373.513 3.298 20 0 FGADRP CCC[NH+]1CCC([NH2+][C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)CC1 ZINC000167906363 705348571 /nfs/dbraw/zinc/34/85/71/705348571.db2.gz PWTUSFDJMVUUBD-LJQANCHMSA-N 2 0 365.949 3.474 20 0 FGADRP CC[N@H+](C)C[C@@H]1CC[NH+](CCC2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000180043206 705725594 /nfs/dbraw/zinc/72/55/94/705725594.db2.gz GXLHLKDSRBITFP-SFHVURJKSA-N 2 0 353.551 3.297 20 0 FGADRP C[NH+](C)CCC1CC[NH+](C[C@]2(C)CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000195164208 713547603 /nfs/dbraw/zinc/54/76/03/713547603.db2.gz UVDRSWMVIGGOFT-FQEVSTJZSA-N 2 0 353.551 3.297 20 0 FGADRP CC(C)(C)OC(=O)N1CC[C@](C)(C[NH2+]C2CC[NH+](CC3CC3)CC2)C1 ZINC000195191456 713548400 /nfs/dbraw/zinc/54/84/00/713548400.db2.gz ILBSUGBWRDTNAI-HXUWFJFHSA-N 2 0 351.535 3.098 20 0 FGADRP C[C@@H](CN1C[C@H](C)C[C@H](C)C1)[NH2+]C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000246881667 713632084 /nfs/dbraw/zinc/63/20/84/713632084.db2.gz CTAJFBQTJFNNSL-BBWFWOEESA-N 2 0 353.551 3.342 20 0 FGADRP C[C@H](C(=O)N1CC[NH2+]C[C@@H]1c1cccc(Cl)c1)[C@H]([NH3+])c1ccccc1 ZINC000261722588 713713179 /nfs/dbraw/zinc/71/31/79/713713179.db2.gz JLWKTLRSERZWSY-KYNGSXCRSA-N 2 0 357.885 3.149 20 0 FGADRP [NH3+]C[C@]12CCC[C@H]1C[N@H+](CCC(=O)Nc1c(Cl)cccc1Cl)C2 ZINC000323948518 713815118 /nfs/dbraw/zinc/81/51/18/713815118.db2.gz CFHLHZIFNHQVDQ-SJCJKPOMSA-N 2 0 356.297 3.383 20 0 FGADRP Cc1cc(Br)ccc1[C@@H](C)[NH2+]C[C@H](C)N1CC[NH+](C)CC1 ZINC000641775985 717929043 /nfs/dbraw/zinc/92/90/43/717929043.db2.gz QXBLZUZLRRLOBU-LSDHHAIUSA-N 2 0 354.336 3.044 20 0 FGADRP Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000414911234 714005458 /nfs/dbraw/zinc/00/54/58/714005458.db2.gz DPYQIJDTDBARLL-CVEARBPZSA-N 2 0 363.303 3.303 20 0 FGADRP CO[C@@H](CC(C)C)C[N@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000419225303 714010765 /nfs/dbraw/zinc/01/07/65/714010765.db2.gz CIHDQAQXSJIWDF-NRFANRHFSA-N 2 0 353.595 3.176 20 0 FGADRP C[C@@H](O)C[C@@H]1CCCC[N@@H+]1CCCCC[NH+]1CCCC[C@H]1C[C@H](C)O ZINC000447837468 714037103 /nfs/dbraw/zinc/03/71/03/714037103.db2.gz UYTUDAPNYVDPHZ-WOZUAGRISA-N 2 0 354.579 3.408 20 0 FGADRP CC(C)[N@H+](C)Cc1cccc(C[NH2+]Cc2cccc(S(C)(=O)=O)c2)c1 ZINC000449098333 714040465 /nfs/dbraw/zinc/04/04/65/714040465.db2.gz ITPMJVXWWYVNCQ-UHFFFAOYSA-N 2 0 360.523 3.220 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CCc1cc(Cl)cs1 ZINC000522956319 714213675 /nfs/dbraw/zinc/21/36/75/714213675.db2.gz WCLPMFQEZSPZNA-INIZCTEOSA-N 2 0 371.978 3.209 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)NCC[N@H+](C)C(C)C)c1ccccc1Cl ZINC000523194582 714222320 /nfs/dbraw/zinc/22/23/20/714222320.db2.gz FTMBYBMNLXAWKT-GOSISDBHSA-N 2 0 368.953 3.362 20 0 FGADRP C[C@H](CNC(=O)NCCCCC[NH+]1CCCCC1)[N@@H+]1CCCC[C@@H]1C ZINC000523603263 714243158 /nfs/dbraw/zinc/24/31/58/714243158.db2.gz KNXJUBZDFNDEGX-RBUKOAKNSA-N 2 0 352.567 3.205 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)NC[C@@H]1CC[N@@H+](C(C)C)C1)c1ccsc1 ZINC000523812590 714254115 /nfs/dbraw/zinc/25/41/15/714254115.db2.gz MFWIVYLLIIEXDK-FUHWJXTLSA-N 2 0 366.575 3.161 20 0 FGADRP C[NH+]1CCC(O)(C[NH2+]Cc2csc(-c3ccc(Cl)cc3)n2)CC1 ZINC000524882722 714307912 /nfs/dbraw/zinc/30/79/12/714307912.db2.gz HIFKASVKCBYQBJ-UHFFFAOYSA-N 2 0 351.903 3.010 20 0 FGADRP Brc1cccc(C2([NH2+]CC[C@@H]3CCC[NH2+]C3)CCOCC2)c1 ZINC000574907400 714454629 /nfs/dbraw/zinc/45/46/29/714454629.db2.gz BVJCIIULWFPSNN-HNNXBMFYSA-N 2 0 367.331 3.434 20 0 FGADRP CC[NH+](CC)CCNC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000642615637 717983699 /nfs/dbraw/zinc/98/36/99/717983699.db2.gz CQCPKBHVIPSUKR-GOSISDBHSA-N 2 0 366.937 3.118 20 0 FGADRP COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000642630907 717985878 /nfs/dbraw/zinc/98/58/78/717985878.db2.gz QPRSQXCHIPQCLG-IMJJTQAJSA-N 2 0 365.905 3.282 20 0 FGADRP Brc1cccc(CCC[NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000643469465 718035351 /nfs/dbraw/zinc/03/53/51/718035351.db2.gz XLEZHSBWLJPKRR-FGTMMUONSA-N 2 0 367.331 3.128 20 0 FGADRP Brc1ccc([C@H]([NH2+]CC[C@@H]2CC[NH2+]C2)[C@@H]2CCCO2)cc1 ZINC000643509295 718037493 /nfs/dbraw/zinc/03/74/93/718037493.db2.gz VMELFLIAPZMOCA-JQFCIGGWSA-N 2 0 353.304 3.258 20 0 FGADRP C[C@@H]([NH2+]Cc1ccc2c(c1)C[NH2+]C2)c1ccc(-n2cncn2)cc1Cl ZINC000643523506 718037584 /nfs/dbraw/zinc/03/75/84/718037584.db2.gz XQKNDZNIASNUHA-CYBMUJFWSA-N 2 0 353.857 3.375 20 0 FGADRP COc1ccc(Cl)cc1N1CC[C@@H]([NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)C1 ZINC000623396344 715326928 /nfs/dbraw/zinc/32/69/28/715326928.db2.gz PCZRERHOGGFLFH-JKSUJKDBSA-N 2 0 351.922 3.390 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)NC[C@@H]1CCCC[N@H+](C)C1)c1ccsc1 ZINC000623420826 715332211 /nfs/dbraw/zinc/33/22/11/715332211.db2.gz PLOLFAQKLYQSOZ-WMZOPIPTSA-N 2 0 366.575 3.162 20 0 FGADRP C[N@@H+]1CC[C@@H]([NH2+]C[C@@H](CO)Cc2ccc(C(F)(F)F)cc2)CC1(C)C ZINC000623454517 715339707 /nfs/dbraw/zinc/33/97/07/715339707.db2.gz ILLQLTOISQBTBK-DOTOQJQBSA-N 2 0 358.448 3.319 20 0 FGADRP C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]C[C@@H]1CCCC[N@H+](C)C1 ZINC000624121304 715477593 /nfs/dbraw/zinc/47/75/93/715477593.db2.gz SVZKIDAQZAXBIK-AEFFLSMTSA-N 2 0 365.949 3.399 20 0 FGADRP CC(C)n1ccn(CN2CCC(CCC[NH+]3CCOCC3)CC2)c1=S ZINC000779878014 724431911 /nfs/dbraw/zinc/43/19/11/724431911.db2.gz WSGYHSKFCAEIMW-UHFFFAOYSA-N 2 0 366.575 3.382 20 0 FGADRP C[NH+](C)C[C@H](NC(=O)N[C@@H]1CC[C@@H](C[NH3+])C1)c1ccc(Cl)c(Cl)c1 ZINC000627103382 715997157 /nfs/dbraw/zinc/99/71/57/715997157.db2.gz QYIWNRFJLIRBKQ-KFNAQCHYSA-N 2 0 373.328 3.023 20 0 FGADRP CC[C@@H]1[C@@H](C(=O)Nc2ccc(C[NH+]3CCSCC3)cc2C)CC[N@@H+]1C ZINC000630870947 716523826 /nfs/dbraw/zinc/52/38/26/716523826.db2.gz COTRIIHPAUDUFO-PKOBYXMFSA-N 2 0 361.555 3.213 20 0 FGADRP COc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+][C@H]1CC[C@H](C[NH3+])CC1 ZINC000635004789 717138941 /nfs/dbraw/zinc/13/89/41/717138941.db2.gz FTEGTPKDZKYCDX-UMVBOHGHSA-N 2 0 353.894 3.173 20 0 FGADRP C[NH+](C)CC1(C(=O)Nc2cc(Cl)ccc2OC2CC[NH+](C)CC2)CC1 ZINC000636005895 717221507 /nfs/dbraw/zinc/22/15/07/717221507.db2.gz QXMBWYACQMRMHP-UHFFFAOYSA-N 2 0 365.905 3.093 20 0 FGADRP Cc1cc(C)c(C(=O)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)s1 ZINC000638345028 717437528 /nfs/dbraw/zinc/43/75/28/717437528.db2.gz UMJYNMFWEIRSQM-UHFFFAOYSA-N 2 0 357.523 3.088 20 0 FGADRP C[NH+](C)C[C@H](NC(=O)[C@H]1CC12CC[NH2+]CC2)c1ccc(Cl)c(Cl)c1 ZINC000638665071 717474102 /nfs/dbraw/zinc/47/41/02/717474102.db2.gz ZKISEQMKCDMAKS-CJNGLKHVSA-N 2 0 370.324 3.102 20 0 FGADRP c1ccc(C[N@H+]2CC[C@H](N3CC[NH+](CC4CCSCC4)CC3)C2)cc1 ZINC000639163420 717526757 /nfs/dbraw/zinc/52/67/57/717526757.db2.gz XZDVYEWCPKVVHK-NRFANRHFSA-N 2 0 359.583 3.022 20 0 FGADRP C[C@@H]1C[C@H]([NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)CS1 ZINC000639210939 717532263 /nfs/dbraw/zinc/53/22/63/717532263.db2.gz PQEDONOQAMLYFQ-HOJAQTOUSA-N 2 0 360.567 3.399 20 0 FGADRP C[C@@H](C(=O)Nc1nc2ccccc2s1)[N@@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639757747 717599078 /nfs/dbraw/zinc/59/90/78/717599078.db2.gz PEGGXJYLERXRBX-AWEZNQCLSA-N 2 0 358.511 3.041 20 0 FGADRP C[C@H](C(=O)N1CCC[C@@H]1c1cccs1)[N@@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639758514 717599138 /nfs/dbraw/zinc/59/91/38/717599138.db2.gz VVYNMHFYEQEUMV-IAGOWNOFSA-N 2 0 361.555 3.218 20 0 FGADRP COc1ccc(Cl)cc1NC(=O)CC[N@@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639760136 717599973 /nfs/dbraw/zinc/59/99/73/717599973.db2.gz RCAUZJCLHHGTTC-UHFFFAOYSA-N 2 0 365.905 3.095 20 0 FGADRP C[N@H+](CCCC[NH+]1CCCCC1)C[C@@H]1CCCN(C(=O)C(C)(C)C)C1 ZINC000640534319 717761151 /nfs/dbraw/zinc/76/11/51/717761151.db2.gz PNBLDFWCVRHKRR-IBGZPJMESA-N 2 0 351.579 3.469 20 0 FGADRP C[NH+]1CCC(CC(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)CC1 ZINC000643902364 718064377 /nfs/dbraw/zinc/06/43/77/718064377.db2.gz AVWGSSGCUOLKSW-LJQANCHMSA-N 2 0 363.933 3.325 20 0 FGADRP C[C@@H]1CC2(C[NH+]1CCC[N@H+]1CC3(C[C@H]1C)CCOCC3)CCOCC2 ZINC000646096781 718262986 /nfs/dbraw/zinc/26/29/86/718262986.db2.gz UNXQMCGSYTUHPR-RTBURBONSA-N 2 0 350.547 3.159 20 0 FGADRP C[C@@H](c1ccc(OC(F)(F)F)cc1)[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646103878 718263955 /nfs/dbraw/zinc/26/39/55/718263955.db2.gz RTEKXRHUUHPYHP-AWEZNQCLSA-N 2 0 358.404 3.443 20 0 FGADRP CC1([NH3+])CC[NH+](CCC(=O)N[C@@H](c2cccs2)c2ccccc2)CC1 ZINC000647925614 718387838 /nfs/dbraw/zinc/38/78/38/718387838.db2.gz QAJGBOOHSQROBX-LJQANCHMSA-N 2 0 357.523 3.157 20 0 FGADRP COC[C@H]1CCC[NH+]1Cc1cc(C[N@H+]2CCC[C@@H]2COC)ccc1F ZINC000649339097 718505696 /nfs/dbraw/zinc/50/56/96/718505696.db2.gz MGZRYMHAAMENOV-RTBURBONSA-N 2 0 350.478 3.047 20 0 FGADRP CC[N@H+](CCCNC(=O)N(C)[C@H]1CC[NH+](C)[C@@H](C)C1)C1CCCCC1 ZINC000651219721 718783754 /nfs/dbraw/zinc/78/37/54/718783754.db2.gz FWIVCQFAIYQMDD-HKUYNNGSSA-N 2 0 352.567 3.155 20 0 FGADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2CCC(=O)Nc2ccc(Cl)cc2)C1 ZINC000652361798 718936909 /nfs/dbraw/zinc/93/69/09/718936909.db2.gz PMFPAYFZVDJQEY-NJAFHUGGSA-N 2 0 365.905 3.029 20 0 FGADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2cn(-c3cccc(Cl)c3Cl)nn2)C1 ZINC000655825996 719344900 /nfs/dbraw/zinc/34/49/00/719344900.db2.gz BGVJBCMHFFPYAF-BJHJDKERSA-N 2 0 354.285 3.004 20 0 FGADRP Fc1ccc(F)c2c1CC[C@H]2[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000656675953 719440833 /nfs/dbraw/zinc/44/08/33/719440833.db2.gz FCIWSTIYZGIFTL-LJQANCHMSA-N 2 0 350.453 3.433 20 0 FGADRP Cc1ncsc1-c1ccc(C[NH2+]CCCC[NH+]2CCN(C)CC2)cc1 ZINC000657307118 719622896 /nfs/dbraw/zinc/62/28/96/719622896.db2.gz APWVYWWRRCPCMT-UHFFFAOYSA-N 2 0 358.555 3.236 20 0 FGADRP C[C@H]1C[NH+](CCCC[NH2+]Cc2cccc(F)c2OC(F)F)C[C@H](C)O1 ZINC000657366829 719634813 /nfs/dbraw/zinc/63/48/13/719634813.db2.gz KSBSNTHBQUSJBM-KBPBESRZSA-N 2 0 360.420 3.406 20 0 FGADRP Fc1ccc(/C=C\C[NH2+]CC2CC[NH+](C3CCOCC3)CC2)cc1F ZINC000657538020 719667895 /nfs/dbraw/zinc/66/78/95/719667895.db2.gz WHGNBEOPPSEXIR-UPHRSURJSA-N 2 0 350.453 3.459 20 0 FGADRP Fc1ccc(/C=C\C[NH2+]CC2CC[NH+](C3CCOCC3)CC2)c(F)c1 ZINC000657537297 719667915 /nfs/dbraw/zinc/66/79/15/719667915.db2.gz GZMJNKWMRJEFQV-UPHRSURJSA-N 2 0 350.453 3.459 20 0 FGADRP Cc1c(Br)cncc1C[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000657814657 719716063 /nfs/dbraw/zinc/71/60/63/719716063.db2.gz KCRDGSSTALMVTB-UHFFFAOYSA-N 2 0 352.320 3.364 20 0 FGADRP CO[C@@H]1CCC[C@H]([C@H](CO)[NH2+]C2CC[NH+]([C@H]3CCC[C@@H](C)C3)CC2)C1 ZINC000658113507 719759360 /nfs/dbraw/zinc/75/93/60/719759360.db2.gz GYZRMZJLZULGEV-OHNKGQGDSA-N 2 0 352.563 3.185 20 0 FGADRP Cc1nc2c(s1)[C@@H]([NH2+]Cc1ccc(C[N@@H+]3CC[C@H](O)C3)cc1)CCC2 ZINC000658143682 719762617 /nfs/dbraw/zinc/76/26/17/719762617.db2.gz ZTFCLLVROFUOGQ-ROUUACIJSA-N 2 0 357.523 3.185 20 0 FGADRP FC1(F)C[C@@H]1OCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000658169995 719765850 /nfs/dbraw/zinc/76/58/50/719765850.db2.gz OOVAWVYWZAEWDV-MANSERQUSA-N 2 0 350.453 3.443 20 0 FGADRP [NH3+]C1(CNC(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)CCCC1 ZINC000659426710 719912755 /nfs/dbraw/zinc/91/27/55/719912755.db2.gz BAAVRBMMQXXTNA-QGZVFWFLSA-N 2 0 364.921 3.048 20 0 FGADRP CN1CC[NH+](CC2(C)CC[NH+](Cc3nsc4ccccc43)CC2)CC1 ZINC000660276144 720023435 /nfs/dbraw/zinc/02/34/35/720023435.db2.gz NLGMWKGYYHNVEN-UHFFFAOYSA-N 2 0 358.555 3.146 20 0 FGADRP COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1[nH+]c(C)cc3[nH]ccc31)C2 ZINC001164815408 720126513 /nfs/dbraw/zinc/12/65/13/720126513.db2.gz VJBLTGPAHCKLAL-UWJYYQICSA-N 2 0 354.498 3.056 20 0 FGADRP CC[C@@H]([NH2+]C[C@H]1CCC2(C[NH2+]C2)O1)c1cc(F)cc(Br)c1 ZINC000662280848 720408990 /nfs/dbraw/zinc/40/89/90/720408990.db2.gz GIXYAWQMWCUGBC-HUUCEWRRSA-N 2 0 357.267 3.150 20 0 FGADRP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](CCSc2ccc(F)cc2F)CC1 ZINC000662279724 720409079 /nfs/dbraw/zinc/40/90/79/720409079.db2.gz BLLKIJYZGGPQSM-AEFFLSMTSA-N 2 0 356.482 3.275 20 0 FGADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2CCSc2ccc(F)cc2F)C1 ZINC000662284225 720409819 /nfs/dbraw/zinc/40/98/19/720409819.db2.gz MDIMAQNVPYWDJV-OIISXLGYSA-N 2 0 356.482 3.418 20 0 FGADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@H+](CCSc3ccc(F)cc3F)C2)C1 ZINC000662285549 720409942 /nfs/dbraw/zinc/40/99/42/720409942.db2.gz LJFCFGSSKFOZRK-LXZKKBNFSA-N 2 0 356.482 3.275 20 0 FGADRP Clc1ccc(-n2cc(C[N@@H+]3CCC[C@H](C4CC[NH2+]CC4)C3)nn2)cc1 ZINC000662291940 720411020 /nfs/dbraw/zinc/41/10/20/720411020.db2.gz ATQWCPLGELOBHT-INIZCTEOSA-N 2 0 359.905 3.132 20 0 FGADRP CSc1cccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)c1 ZINC000662296748 720411475 /nfs/dbraw/zinc/41/14/75/720411475.db2.gz MZAGOSIEMHYJTM-DOTOQJQBSA-N 2 0 361.555 3.447 20 0 FGADRP C[C@@H](NC(=O)C[N@@H+]1CCC[C@@H](C)[C@H]1CCC[NH3+])c1ccccc1Cl ZINC000662315790 720414592 /nfs/dbraw/zinc/41/45/92/720414592.db2.gz STQZENMDXHEUAU-IIDMSEBBSA-N 2 0 351.922 3.357 20 0 FGADRP Cc1ccc(Cl)c(OC[C@H](O)C[NH2+]CC2CC[NH+](CC3CC3)CC2)c1 ZINC000663374025 720507242 /nfs/dbraw/zinc/50/72/42/720507242.db2.gz BNPYDUIBGCQLCL-GOSISDBHSA-N 2 0 366.933 3.100 20 0 FGADRP CC(C)[C@H]([NH3+])CC[NH2+][C@H](C)CC(=O)Nc1ccc(Br)cc1 ZINC000663503363 720520202 /nfs/dbraw/zinc/52/02/02/720520202.db2.gz PXXSQANRWDKACL-IUODEOHRSA-N 2 0 356.308 3.129 20 0 FGADRP Brc1ccccc1CN1CCC([NH2+][C@H]2CCC[NH2+]CC2)CC1 ZINC000666857746 720991509 /nfs/dbraw/zinc/99/15/09/720991509.db2.gz HRKBJUCTXQFUBU-INIZCTEOSA-N 2 0 366.347 3.145 20 0 FGADRP FC(F)(F)c1ccn(-c2ccc(C[NH2+][C@@H]3CC34CC[NH2+]CC4)cc2)n1 ZINC000666953995 721004950 /nfs/dbraw/zinc/00/49/50/721004950.db2.gz NEHGVHIXLVUPPU-MRXNPFEDSA-N 2 0 350.388 3.123 20 0 FGADRP FC(F)(F)c1ccc(-c2n[nH]cc2C[NH2+][C@@H]2CC23CC[NH2+]CC3)cc1 ZINC000666954333 721005369 /nfs/dbraw/zinc/00/53/69/721005369.db2.gz URZQCXSTIUEZQJ-OAHLLOKOSA-N 2 0 350.388 3.327 20 0 FGADRP CC[NH+](CC)CCO[C@@H]1CCN(Cc2cncc(Br)c2C)C1 ZINC000667681618 721155888 /nfs/dbraw/zinc/15/58/88/721155888.db2.gz MYIRRJGJAQOWKA-MRXNPFEDSA-N 2 0 370.335 3.085 20 0 FGADRP C[C@@H]1CC[C@H](NC2CC[NH+](C(C)(C)CC(C)(C)C)CC2)CS1(=O)=O ZINC000668562912 721311672 /nfs/dbraw/zinc/31/16/72/721311672.db2.gz RVYQLPNRQFXBIH-WBVHZDCISA-N 2 0 358.592 3.221 20 0 FGADRP Cc1cnc(N2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)c(C[NH3+])c1 ZINC001164795448 721498835 /nfs/dbraw/zinc/49/88/35/721498835.db2.gz HEWZJYZKUGKKIY-UHFFFAOYSA-N 2 0 365.525 3.125 20 0 FGADRP Cc1cc([C@@H](C)[NH2+]CC(C)(C)N2CC[NH+](C)CC2)sc1Br ZINC000671706825 721609822 /nfs/dbraw/zinc/60/98/22/721609822.db2.gz NTVYQORMOJDCLU-CYBMUJFWSA-N 2 0 374.392 3.496 20 0 FGADRP C[NH+]1CCN(C(C)(C)C[NH2+][C@@H]2CCSc3c(Cl)cccc32)CC1 ZINC000675741451 721771640 /nfs/dbraw/zinc/77/16/40/721771640.db2.gz FSPRHXIQTBFWMG-MRXNPFEDSA-N 2 0 353.963 3.493 20 0 FGADRP C[C@@H]([NH2+]CCC(=O)Nc1ccc(Br)cc1)C1CC[NH+](C)CC1 ZINC000675800457 721775341 /nfs/dbraw/zinc/77/53/41/721775341.db2.gz ODZRJEKORBJLQW-CYBMUJFWSA-N 2 0 368.319 3.098 20 0 FGADRP Cc1c[nH+]c(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)cc1N ZINC001165022137 721822158 /nfs/dbraw/zinc/82/21/58/721822158.db2.gz GKOUHFOQEHMVJC-XKGZKEIXSA-N 2 0 351.498 3.104 20 0 FGADRP C[NH+](C)Cc1ccnc(N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)c1 ZINC001164963975 722023686 /nfs/dbraw/zinc/02/36/86/722023686.db2.gz UWWIAHAWOYDFTN-UHFFFAOYSA-N 2 0 365.525 3.031 20 0 FGADRP CC(C)[NH+]1CCC([NH2+][C@@H]2C[C@H]3C[C@@H](C2)N(C(=O)OC(C)(C)C)C3)CC1 ZINC000707913197 722412362 /nfs/dbraw/zinc/41/23/62/722412362.db2.gz OHJBZKYTNGBSFB-JQHSSLGASA-N 2 0 351.535 3.237 20 0 FGADRP C[NH+](C)CCCCCCCNC(=O)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000729601407 722460931 /nfs/dbraw/zinc/46/09/31/722460931.db2.gz DISKABYXZSTVBF-IBGZPJMESA-N 2 0 352.567 3.158 20 0 FGADRP C[N@H+](CC[C@H]1CCCC[NH+]1C)C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000743855304 722571854 /nfs/dbraw/zinc/57/18/54/722571854.db2.gz KCAYHOSZXFBXSY-QZTJIDSGSA-N 2 0 353.551 3.440 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@H](C)c1ccc(C)s1 ZINC000745735863 722590048 /nfs/dbraw/zinc/59/00/48/722590048.db2.gz KFAKVJWAEGFIRJ-SJORKVTESA-N 2 0 366.575 3.175 20 0 FGADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H](O)Cc2ccc(C(F)(F)F)cc2)[C@@H](C)C1 ZINC000749347366 722725442 /nfs/dbraw/zinc/72/54/42/722725442.db2.gz WLGJOOYLFONFRS-WBAXXEDZSA-N 2 0 358.448 3.271 20 0 FGADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@]2(C)CCCN(C(=O)OC(C)(C)C)C2)[C@H](C)C1 ZINC000753763038 722911752 /nfs/dbraw/zinc/91/17/52/722911752.db2.gz LTWXBUNBSKFUBL-UWVAXJGDSA-N 2 0 353.551 3.344 20 0 FGADRP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H](C)c3ccc(Cl)nc3)cn2)CC1 ZINC000760159546 723040660 /nfs/dbraw/zinc/04/06/60/723040660.db2.gz YDCWCOJIEDUKJP-HNNXBMFYSA-N 2 0 359.905 3.123 20 0 FGADRP C[NH+](C)CC1(C[NH2+][C@@H]2CCCN(C(=O)OC(C)(C)C)CC2)CCCC1 ZINC000760897323 723102051 /nfs/dbraw/zinc/10/20/51/723102051.db2.gz KEPPFWJMHIKHLD-QGZVFWFLSA-N 2 0 353.551 3.488 20 0 FGADRP C[NH+](C)CCOc1ccc(C[NH2+][C@@H]2CC[C@@H]3SCCS[C@@H]23)cc1 ZINC000762612099 723261950 /nfs/dbraw/zinc/26/19/50/723261950.db2.gz CMFVKYOCUYGVGY-SQNIBIBYSA-N 2 0 352.569 3.096 20 0 FGADRP CCC[NH+]1CCC(C[NH2+][C@H](C)c2ccc(S(=O)(=O)C(F)F)cc2)CC1 ZINC000765769118 723539791 /nfs/dbraw/zinc/53/97/91/723539791.db2.gz RGAKEHKHQMWVKJ-CQSZACIVSA-N 2 0 374.497 3.456 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@](C)(O)c2cccc(Cl)c2)[C@@H](C)C1 ZINC000765817700 723542805 /nfs/dbraw/zinc/54/28/05/723542805.db2.gz PQLOFULBBCGVQP-FFZOFVMBSA-N 2 0 368.949 3.274 20 0 FGADRP Cc1nn(C)c2nc(Cl)c(C[NH+]3CCC(CCC[NH+](C)C)CC3)cc12 ZINC000766993231 723602897 /nfs/dbraw/zinc/60/28/97/723602897.db2.gz LIGPAQCMZBODQO-UHFFFAOYSA-N 2 0 363.937 3.484 20 0 FGADRP COc1c(C)cc([C@@H](C)[NH2+]CCN2CCC([NH+](C)C)CC2)cc1Cl ZINC000796790894 723655064 /nfs/dbraw/zinc/65/50/64/723655064.db2.gz WDXUFOIZLNNLFY-OAHLLOKOSA-N 2 0 353.938 3.334 20 0 FGADRP COc1c(C)cc([C@H](C)[NH2+][C@@H](C)CCN2CC[NH+](C)CC2)cc1Cl ZINC000796945096 723660317 /nfs/dbraw/zinc/66/03/17/723660317.db2.gz LBZPLFQEXSLESI-HOTGVXAUSA-N 2 0 353.938 3.334 20 0 FGADRP CN(CCC1CC[NH+](CC[C@@H]2CCC[N@@H+]2C)CC1)C(=O)OC(C)(C)C ZINC000769942106 723701590 /nfs/dbraw/zinc/70/15/90/723701590.db2.gz GXYPIZLLINZETC-SFHVURJKSA-N 2 0 353.551 3.440 20 0 FGADRP CC[NH+](CC)Cc1cc([C@H](C)[NH2+]CC2([S@@](C)=O)CCC2)ccc1OC ZINC000798004156 723897645 /nfs/dbraw/zinc/89/76/45/723897645.db2.gz KMTHVGWAPXJEHI-IVCQMTBJSA-N 2 0 366.571 3.489 20 0 FGADRP C[C@@H]([NH2+]C1CC(NC(=O)OC(C)(C)C)C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000798187888 723912110 /nfs/dbraw/zinc/91/21/10/723912110.db2.gz VFDJZKMTQRRMMW-XNIRIUNOSA-N 2 0 351.535 3.285 20 0 FGADRP Cc1cc(Br)cc(C[NH2+]C[C@@H](C(C)C)N2CC[NH+](C)CC2)c1 ZINC000774964637 723946153 /nfs/dbraw/zinc/94/61/53/723946153.db2.gz NYDRJNSWTHLQDK-SFHVURJKSA-N 2 0 368.363 3.119 20 0 FGADRP Cc1cc(Br)cc(C[NH2+]C2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)c1 ZINC000775031811 723954225 /nfs/dbraw/zinc/95/42/25/723954225.db2.gz TZBSPJQPFIRBIU-QZTJIDSGSA-N 2 0 367.331 3.225 20 0 FGADRP C[NH+](C)CCOc1cccc(C[NH2+][C@@H]2CC[C@H]3SCCS[C@@H]23)c1 ZINC000775379009 723986693 /nfs/dbraw/zinc/98/66/93/723986693.db2.gz PUOJAPOBURYTNX-KURKYZTESA-N 2 0 352.569 3.096 20 0 FGADRP C[NH+]1CCC2(CCC[N@H+](CC(=O)Nc3ccc(F)c(Cl)c3)C2)CC1 ZINC000799176765 723995078 /nfs/dbraw/zinc/99/50/78/723995078.db2.gz CLVABVVOJWVSTL-UHFFFAOYSA-N 2 0 353.869 3.225 20 0 FGADRP CN(Cc1ccc(Cl)s1)C(=O)C[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000799178441 723995530 /nfs/dbraw/zinc/99/55/30/723995530.db2.gz VGPPPYFQWFQLFG-UHFFFAOYSA-N 2 0 369.962 3.168 20 0 FGADRP CC[NH+]1CCC(C[NH2+]Cc2cnc(NC(=O)OC(C)(C)C)s2)CC1 ZINC000800232393 724169898 /nfs/dbraw/zinc/16/98/98/724169898.db2.gz HURWKVQAXGFASW-UHFFFAOYSA-N 2 0 354.520 3.312 20 0 FGADRP C[NH+](C)CC1CC[NH+](CC[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000801913899 724344943 /nfs/dbraw/zinc/34/49/43/724344943.db2.gz BVSUYOWMMXFTMN-KRWDZBQOSA-N 2 0 353.551 3.297 20 0 FGADRP CCC[NH+]1CCC([NH2+][C@H]2[C@@H](C)N(C(=O)OC(C)(C)C)CC[C@@H]2C)CC1 ZINC000809717144 725262176 /nfs/dbraw/zinc/26/21/76/725262176.db2.gz CKMXOCHATAMZGB-LZLYRXPVSA-N 2 0 353.551 3.484 20 0 FGADRP CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)NCCCCCCC[NH+]2CCCC2)C1 ZINC000810195823 725296060 /nfs/dbraw/zinc/29/60/60/725296060.db2.gz DQPJJBSOUDFBCT-HXUWFJFHSA-N 2 0 355.542 3.361 20 0 FGADRP CSC1(C[NH2+][C@H]2CCC[C@@H]2CNC(=O)OC(C)(C)C)CC[NH+](C)CC1 ZINC000810253144 725299988 /nfs/dbraw/zinc/29/99/88/725299988.db2.gz MUBIYAGDDDTDOC-CVEARBPZSA-N 2 0 371.591 3.097 20 0 FGADRP CC[N@H+](C)C[C@@H]1CC[NH+](C[C@H]2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)C1 ZINC000813336125 726862416 /nfs/dbraw/zinc/86/24/16/726862416.db2.gz LRYSVGABQOHOQW-SQNIBIBYSA-N 2 0 353.551 3.296 20 0 FGADRP C[C@@H]1C[C@H](C)[N@H+](CC[C@H]2CCC[NH+]2C)C[C@@H]1CNC(=O)OC(C)(C)C ZINC000817290477 727236556 /nfs/dbraw/zinc/23/65/56/727236556.db2.gz DBAKYKORICLISL-VSZNYVQBSA-N 2 0 353.551 3.342 20 0 FGADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C[C@@H](O)c1cc(Cl)c2c(c1)OCCO2 ZINC000817896717 727287207 /nfs/dbraw/zinc/28/72/07/727287207.db2.gz QJBXPNLMGLCFDQ-FRFSOERESA-N 2 0 368.905 3.045 20 0 FGADRP FC(F)Sc1ccc2c(c1)CCC[C@@H]2[NH2+]CCCN1CC[NH2+]CC1 ZINC000817935585 727288657 /nfs/dbraw/zinc/28/86/57/727288657.db2.gz JEMMISRYHOGWOS-KRWDZBQOSA-N 2 0 355.498 3.264 20 0 FGADRP CCOC(=O)C(F)(F)[C@@H]1CCC[C@@H]([NH2+]Cc2ccc3c(c2)C[NH2+]C3)C1 ZINC000817968174 727289880 /nfs/dbraw/zinc/28/98/80/727289880.db2.gz GYBILQLSDSSXQJ-IAGOWNOFSA-N 2 0 352.425 3.137 20 0 FGADRP COc1ccc([C@H](C)[NH2+][C@@H]2CCN(C3CC[NH+](C)CC3)C2)c(Cl)c1 ZINC000818330590 727307761 /nfs/dbraw/zinc/30/77/61/727307761.db2.gz AMNDCPUQIOOUGC-LSDHHAIUSA-N 2 0 351.922 3.168 20 0 FGADRP C[C@@H](C[NH2+]C[C@](C)(O)c1ccc(Br)cc1F)C[NH+]1CCCC1 ZINC000818966008 727331812 /nfs/dbraw/zinc/33/18/12/727331812.db2.gz GPANXNPJXOWZFK-GUYCJALGSA-N 2 0 373.310 3.117 20 0 FGADRP C[NH+](C)CCOc1cccc(C[NH2+]C[C@@H](O)c2ccc(Cl)c(F)c2)c1 ZINC000819010253 727337695 /nfs/dbraw/zinc/33/76/95/727337695.db2.gz ACPGHZUMDUCNEK-LJQANCHMSA-N 2 0 366.864 3.243 20 0 FGADRP C[C@H]([NH2+]C[C@H](O)c1ccc(F)c(Br)c1)C(C)(C)C[NH+](C)C ZINC000819102083 727347621 /nfs/dbraw/zinc/34/76/21/727347621.db2.gz GWXSYULFNXQSPJ-NHYWBVRUSA-N 2 0 361.299 3.188 20 0 FGADRP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]C[C@H](O)c2ccc(F)c(Br)c2)C1 ZINC000819135445 727351001 /nfs/dbraw/zinc/35/10/01/727351001.db2.gz XDHIZFPEAHIDAS-IOASZLSFSA-N 2 0 359.283 3.084 20 0 FGADRP CC(C)C[N@@H+]1CC[C@H](C[NH2+]C[C@H](O)c2cccc(Br)c2)C1 ZINC000819151960 727353146 /nfs/dbraw/zinc/35/31/46/727353146.db2.gz IXFFHESQJFSWBZ-PBHICJAKSA-N 2 0 355.320 3.050 20 0 FGADRP CC(C)C[N@@H+]1CC[C@H](C[NH2+]C[C@H](O)c2ccc(OC(F)(F)F)cc2)C1 ZINC000819152225 727353157 /nfs/dbraw/zinc/35/31/57/727353157.db2.gz OQCLVJVHFCBVFW-PBHICJAKSA-N 2 0 360.420 3.186 20 0 FGADRP C[C@H](CC[NH2+]C[C@H](O)c1cccc(Br)c1)[NH+]1CCCCC1 ZINC000819228260 727359916 /nfs/dbraw/zinc/35/99/16/727359916.db2.gz HGSFILDGEUFYRG-PBHICJAKSA-N 2 0 355.320 3.337 20 0 FGADRP O[C@H](C[NH2+]C1CC[NH+](C2CCC2)CC1)c1ccc(F)c(Br)c1 ZINC000819354192 727370509 /nfs/dbraw/zinc/37/05/09/727370509.db2.gz JFBOBQFIZGZVGJ-QGZVFWFLSA-N 2 0 371.294 3.228 20 0 FGADRP C[C@H](C[NH2+][C@H](Cc1ccccc1Cl)c1ccoc1)N1CC[NH+](C)CC1 ZINC000820810218 729033233 /nfs/dbraw/zinc/03/32/33/729033233.db2.gz RPIGIYUHNIRULG-OXQOHEQNSA-N 2 0 361.917 3.442 20 0 FGADRP C[C@@H]1C[C@@H](C[N@H+](C)CC2CC[NH+](C)CC2)CCN1C(=O)OC(C)(C)C ZINC000823436854 729280739 /nfs/dbraw/zinc/28/07/39/729280739.db2.gz DNAJRMGMOLGQFK-AEFFLSMTSA-N 2 0 353.551 3.296 20 0 FGADRP CC[NH+]1CCC(C[NH2+]C[C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)CC1 ZINC000823813277 729306088 /nfs/dbraw/zinc/30/60/88/729306088.db2.gz YVFOWBLQROQPQQ-FUHWJXTLSA-N 2 0 353.551 3.344 20 0 FGADRP C[C@@H]1CN(C2CC2)C[C@H]1[NH2+]CCC[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000824991835 729367008 /nfs/dbraw/zinc/36/70/08/729367008.db2.gz AHHZGJXRDZEQAG-KBAYOESNSA-N 2 0 351.535 3.238 20 0 FGADRP CC[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000834513344 729808906 /nfs/dbraw/zinc/80/89/06/729808906.db2.gz KYBYIXLCGXZHLA-OWSLCNJRSA-N 2 0 351.535 3.381 20 0 FGADRP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[C@H](CNC(=O)OC(C)(C)C)C2)[C@@H]2CCC[C@H]21 ZINC000834907284 729845181 /nfs/dbraw/zinc/84/51/81/729845181.db2.gz NBMYWARDLDOGPS-FLXSYLCISA-N 2 0 351.535 3.142 20 0 FGADRP C[N@@H+]1CCC[C@H](CC[NH2+][C@H]2CCCC[C@@H]2CNC(=O)OC(C)(C)C)C1 ZINC000840810935 730177680 /nfs/dbraw/zinc/17/76/80/730177680.db2.gz WQCOSOPLNOKHIT-KURKYZTESA-N 2 0 353.551 3.391 20 0 FGADRP Cc1cc([C@@H]([NH3+])CC(=O)N[C@H](CCC[NH3+])c2ccccc2)cc(Cl)n1 ZINC000841856000 730281431 /nfs/dbraw/zinc/28/14/31/730281431.db2.gz KUXQSXJAQHMCFJ-DLBZAZTESA-N 2 0 360.889 3.030 20 0 FGADRP Clc1ncc(Br)cc1C[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000842702228 730533188 /nfs/dbraw/zinc/53/31/88/730533188.db2.gz HAZFEYHIDHHDFA-UHFFFAOYSA-N 2 0 358.711 3.462 20 0 FGADRP CC(C)n1ncc2cc(C[N@@H+]3CCC[C@H]([C@H]4CC[NH2+]C4)C3)c(Cl)nc21 ZINC000843125725 730589061 /nfs/dbraw/zinc/58/90/61/730589061.db2.gz GIHVWAFHIOGIBK-GJZGRUSLSA-N 2 0 361.921 3.487 20 0 FGADRP C[C@H](NC(=O)C[N@H+](C)C1CCC([NH3+])CC1)c1ccc(Cl)cc1Cl ZINC000843354214 730609789 /nfs/dbraw/zinc/60/97/89/730609789.db2.gz YTNKSAMBXAXOIQ-XGNXJENSSA-N 2 0 358.313 3.372 20 0 FGADRP C[N@H+](CC(=O)Nc1ccc(OC(F)F)c(Cl)c1)C1CCC([NH3+])CC1 ZINC000843353833 730610036 /nfs/dbraw/zinc/61/00/36/730610036.db2.gz MFKLPWLPKILRHN-UHFFFAOYSA-N 2 0 361.820 3.082 20 0 FGADRP COc1ccc(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)c(Br)c1OC ZINC000843363601 730610747 /nfs/dbraw/zinc/61/07/47/730610747.db2.gz BDQCZYBJSZGIHV-UHFFFAOYSA-N 2 0 369.303 3.042 20 0 FGADRP C[C@H](c1nc(Cc2ccc(Cl)cc2)no1)[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000843363756 730610992 /nfs/dbraw/zinc/61/09/92/730610992.db2.gz OFPPVQJXAKQFCM-CQSZACIVSA-N 2 0 360.889 3.450 20 0 FGADRP O=C(C[NH+]1CCC2(CC[NH2+]C2)CC1)Nc1ccc(SC(F)F)cc1 ZINC000843386050 730612695 /nfs/dbraw/zinc/61/26/95/730612695.db2.gz HERAOGMMQWNGNT-UHFFFAOYSA-N 2 0 355.454 3.015 20 0 FGADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1C[C@@H]2CCC[C@]2(CNC(=O)OC(C)(C)C)C1 ZINC000844358519 730707292 /nfs/dbraw/zinc/70/72/92/730707292.db2.gz XNQNKBKPUBXQTM-QKLQHJQFSA-N 2 0 351.535 3.098 20 0 FGADRP Cn1c(C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)cnc1Cl ZINC000848547166 731179185 /nfs/dbraw/zinc/17/91/85/731179185.db2.gz LBFNTGJWPIJXPU-QXAKKESOSA-N 2 0 358.917 3.464 20 0 FGADRP CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]([NH2+]C2CC([NH+]3CCCCC3)C2)C1 ZINC000848549936 731179670 /nfs/dbraw/zinc/17/96/70/731179670.db2.gz YBMMCHQIPRNCRC-MRLCAUJQSA-N 2 0 351.535 3.429 20 0 FGADRP CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]([NH2+]CC2CC[NH+](C3CC3)CC2)C1 ZINC000848548796 731179743 /nfs/dbraw/zinc/17/97/43/731179743.db2.gz FWYNAGVCCJJTEW-DLBZAZTESA-N 2 0 351.535 3.286 20 0 FGADRP [NH2+]=C(NCCc1cccs1)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000849068527 731225734 /nfs/dbraw/zinc/22/57/34/731225734.db2.gz NMLZMFMTQVNOLD-SFHVURJKSA-N 2 0 356.539 3.317 20 0 FGADRP CN(c1ccccc1C[NH2+]CC1SCCS1)C1CC[NH+](C)CC1 ZINC000850401599 731352527 /nfs/dbraw/zinc/35/25/27/731352527.db2.gz NPXRYJFRMWBYHQ-UHFFFAOYSA-N 2 0 351.585 3.113 20 0 FGADRP C[C@H](C[C@@H](C)[NH2+]CC1CC[NH+](CC2CC2)CC1)NC(=O)OC(C)(C)C ZINC000850580825 731375817 /nfs/dbraw/zinc/37/58/17/731375817.db2.gz BKOMPKNAHVBSSM-HZPDHXFCSA-N 2 0 353.551 3.390 20 0 FGADRP CC(C)(C)OC(=O)N[C@H]1CCC[C@H]1[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000850582767 731376294 /nfs/dbraw/zinc/37/62/94/731376294.db2.gz LEAQZACCSMUJPT-MSOLQXFVSA-N 2 0 351.535 3.144 20 0 FGADRP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+][C@@H]3CCc4ccc(Cl)nc43)cc2)C1 ZINC000857913691 732168974 /nfs/dbraw/zinc/16/89/74/732168974.db2.gz DUNVGMFLBXCRAK-QZTJIDSGSA-N 2 0 357.885 3.079 20 0 FGADRP CC[C@@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000858491477 732220268 /nfs/dbraw/zinc/22/02/68/732220268.db2.gz IRQHZLOKVRSARK-RCCFBDPRSA-N 2 0 353.551 3.486 20 0 FGADRP C[C@H](O)C[C@H]1CCC[N@@H+]1CC[Si](C)(C)CC[NH+]1CCC[C@H]1C[C@H](C)O ZINC000859205134 732289833 /nfs/dbraw/zinc/28/98/33/732289833.db2.gz VQBMZFAYDNPYBE-LWYYNNOASA-N 2 0 370.654 3.165 20 0 FGADRP CO[C@@H]1CC[N@H+](CC[Si](C)(C)CC[NH+]2CC[C@H](OC)[C@@H](C)C2)C[C@H]1C ZINC000859324005 732310630 /nfs/dbraw/zinc/31/06/30/732310630.db2.gz GMAYZJNDKMIFNG-FGYAAKKASA-N 2 0 370.654 3.408 20 0 FGADRP C[NH+](C)CCCC(C)(C)[NH2+]C[C@@H]1CC(F)(F)CN1C(=O)OC(C)(C)C ZINC000862387780 732821911 /nfs/dbraw/zinc/82/19/11/732821911.db2.gz QTNNMSQSLMWKQW-AWEZNQCLSA-N 2 0 363.493 3.341 20 0 FGADRP C[NH+]1CCC(C[NH2+][C@@H]2CCO[C@H](C(F)(F)F)C2)(c2ccccc2)CC1 ZINC000865774711 733267066 /nfs/dbraw/zinc/26/70/66/733267066.db2.gz LHZUAJSLBBDENU-SJORKVTESA-N 2 0 356.432 3.350 20 0 FGADRP C[C@H]1C[C@H]([NH2+]C[C@H]2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)CC[N@@H+]1C ZINC000866549363 733364678 /nfs/dbraw/zinc/36/46/78/733364678.db2.gz MBFLNOAIBGVGJB-AVEIZBFRSA-N 2 0 351.535 3.237 20 0 FGADRP C[C@@H](c1ccc(C(F)(F)F)cc1)[NH+]1CCC(N2CC[NH+](C)CC2)CC1 ZINC000866589314 733370878 /nfs/dbraw/zinc/37/08/78/733370878.db2.gz FYRAGGKLDKTISF-HNNXBMFYSA-N 2 0 355.448 3.478 20 0 FGADRP CCOC(=O)c1sc(C2CC[NH+](CCC3CC[NH2+]CC3)CC2)nc1C ZINC000866714965 733387361 /nfs/dbraw/zinc/38/73/61/733387361.db2.gz FJQJMEHUBGLKEW-UHFFFAOYSA-N 2 0 365.543 3.197 20 0 FGADRP CC(C)(C)S(=O)(=O)CCC[N@@H+]1CCC[C@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000872156055 735596868 /nfs/dbraw/zinc/59/68/68/735596868.db2.gz DGIIWAFZVYYKQP-AEFFLSMTSA-N 2 0 358.592 3.209 20 0 FGADRP Clc1cc(C[NH2+]Cc2cc3c(s2)CC[NH2+]C3)cc2c1OCCO2 ZINC000873212005 735738768 /nfs/dbraw/zinc/73/87/68/735738768.db2.gz WGXAKHLMXDFPEW-UHFFFAOYSA-N 2 0 350.871 3.108 20 0 FGADRP CCOc1cc(C[NH2+][C@H](C)C2CC[NH2+]CC2)cc(Br)c1OC ZINC000873221820 735739602 /nfs/dbraw/zinc/73/96/02/735739602.db2.gz RFZYUNKGKLZCLS-GFCCVEGCSA-N 2 0 371.319 3.334 20 0 FGADRP C[C@@H]([NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2)c1nc2ccc(Cl)cc2n1C ZINC000873292573 735747109 /nfs/dbraw/zinc/74/71/09/735747109.db2.gz ULHGNWGZKJMOCH-HIFRSBDPSA-N 2 0 362.905 3.036 20 0 FGADRP COc1cc([C@@H](C)[NH2+]C[C@H]2CC3(CO2)CC[NH2+]CC3)ccc1SC ZINC000873291627 735747219 /nfs/dbraw/zinc/74/72/19/735747219.db2.gz LXTZRJDIOOMUFA-GDBMZVCRSA-N 2 0 350.528 3.226 20 0 FGADRP C[C@H]([NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2)c1cc(Cl)c(N)c(Cl)c1 ZINC000873292702 735747482 /nfs/dbraw/zinc/74/74/82/735747482.db2.gz UZQBUDAWBGJNFN-AAEUAGOBSA-N 2 0 358.313 3.385 20 0 FGADRP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+]Cc1cc2nc(Cl)ccc2s1 ZINC000877040268 736178599 /nfs/dbraw/zinc/17/85/99/736178599.db2.gz BPTNSLXKDBJCOF-ZDUSSCGKSA-N 2 0 353.919 3.276 20 0 FGADRP CCO[P@](C)(=O)CC[C@H](C)[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000877090894 736186581 /nfs/dbraw/zinc/18/65/81/736186581.db2.gz XVQAOBWXSJZPBS-DAKPEJIASA-N 2 0 360.479 3.067 20 0 FGADRP [NH3+][C@@H]1C[C@H]1c1ccc(NC(=O)[C@@H]2C[NH2+]C[C@H]2c2ccc(Cl)cc2)cc1 ZINC000877139652 736191827 /nfs/dbraw/zinc/19/18/27/736191827.db2.gz VHMVTUHSWVUKOH-INDMIFKZSA-N 2 0 355.869 3.096 20 0 FGADRP CCO[P@@](C)(=O)CC[C@@H](C)[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000877620288 736695036 /nfs/dbraw/zinc/69/50/36/736695036.db2.gz FPHTYDOLTIKCDL-VOIUYBSRSA-N 2 0 360.479 3.190 20 0 FGADRP C[C@H](C[NH2+]C1CCC(C)([NH+](C)C)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000877711344 736709267 /nfs/dbraw/zinc/70/92/67/736709267.db2.gz FALHHYUYXZGPLT-LSJNQWAISA-N 2 0 352.544 3.046 20 0 FGADRP C(CC1CC[NH+](C[C@@H]2CCC3(CCOCC3)O2)CC1)C[NH+]1CCCC1 ZINC000878296051 736801555 /nfs/dbraw/zinc/80/15/55/736801555.db2.gz KSLBGJCWKOHIDK-FQEVSTJZSA-N 2 0 350.547 3.303 20 0 FGADRP CC[NH+]1CCN(CC(C)(C)[NH2+]C[C@@H](O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000878689165 736907987 /nfs/dbraw/zinc/90/79/87/736907987.db2.gz BVBNKLFHBBJSKQ-QGZVFWFLSA-N 2 0 374.356 3.033 20 0 FGADRP CCC1([NH+](C)C)CCN(C[C@@H](O)c2ccc(Br)cc2)CC1 ZINC000879286246 736976825 /nfs/dbraw/zinc/97/68/25/736976825.db2.gz OMSIUVFTESVHOQ-MRXNPFEDSA-N 2 0 355.320 3.289 20 0 FGADRP O=c1oc2ccc(C[NH2+]CC3CC[NH+](Cc4cccs4)CC3)cc2o1 ZINC000882944443 737505640 /nfs/dbraw/zinc/50/56/40/737505640.db2.gz HNHIFVHWDZGWGE-UHFFFAOYSA-N 2 0 358.463 3.449 20 0 FGADRP C[NH+](C)CCOC1CC[NH+](Cc2cc3ccnc(Cl)c3s2)CC1 ZINC000894017348 742227304 /nfs/dbraw/zinc/22/73/04/742227304.db2.gz NCANEWBQWOPKJT-UHFFFAOYSA-N 2 0 353.919 3.492 20 0 FGADRP CC[N@@H+]1CC[C@@H](C[NH2+]CC2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)C1 ZINC000894190114 742250596 /nfs/dbraw/zinc/25/05/96/742250596.db2.gz JEIZSWOEGDWNMS-OOKSDGMUSA-N 2 0 351.535 3.096 20 0 FGADRP CCOC(=O)c1sc(C2CC[NH+](CC3CC[NH+](C)CC3)CC2)nc1C ZINC000895860199 742463579 /nfs/dbraw/zinc/46/35/79/742463579.db2.gz POSIGCPGJAQAQZ-UHFFFAOYSA-N 2 0 365.543 3.149 20 0 FGADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@H+](C[C@@H]3[C@@H](c4ccccc4)C3(F)F)C2)C1 ZINC000903461444 743853170 /nfs/dbraw/zinc/85/31/70/743853170.db2.gz UHLBVQOIUZRICH-IEWDOMPSSA-N 2 0 350.453 3.254 20 0 FGADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@H+](C[C@@H]3[C@@H](c4ccccc4)C3(F)F)C2)C1 ZINC000903461442 743853330 /nfs/dbraw/zinc/85/33/30/743853330.db2.gz UHLBVQOIUZRICH-BRIYLRKRSA-N 2 0 350.453 3.254 20 0 FGADRP c1ccc2sc([C@@H]3CCC[N@@H+](C[C@H]4C[C@@]5(CC[NH2+]C5)CO4)C3)nc2c1 ZINC000903732990 743879914 /nfs/dbraw/zinc/87/99/14/743879914.db2.gz ITOOILFZGOODFU-JXXFODFXSA-N 2 0 357.523 3.244 20 0 FGADRP Brc1ccc([C@@H]2CCC[N@@H+]2C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)s1 ZINC000903758768 743881065 /nfs/dbraw/zinc/88/10/65/743881065.db2.gz MHXGEYVGMWNPNC-DVOMOZLQSA-N 2 0 371.344 3.416 20 0 FGADRP C[C@]1(C[NH+]2CCC(C(=O)Nc3cc(Cl)ccc3O)CC2)CCC[NH2+]C1 ZINC000904345924 743948408 /nfs/dbraw/zinc/94/84/08/743948408.db2.gz MDXQDDHNSBMCEK-IBGZPJMESA-N 2 0 365.905 3.086 20 0 FGADRP Brc1cncc(C[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000904475109 743957501 /nfs/dbraw/zinc/95/75/01/743957501.db2.gz YHRORUMLGGHNIF-WMZOPIPTSA-N 2 0 374.282 3.190 20 0 FGADRP CC1([NH+]2CCC2)CCC([NH2+]C[C@H](O)COc2ccccc2Cl)CC1 ZINC000905600283 744035665 /nfs/dbraw/zinc/03/56/65/744035665.db2.gz JFYOKZSWVFRIRQ-WUJZJPHMSA-N 2 0 352.906 3.076 20 0 FGADRP Cc1ccc(C(=O)C(C(=S)NC2CC[NH+](C)CC2)[n+]2ccccc2)s1 ZINC000920395163 758547930 /nfs/dbraw/zinc/54/79/30/758547930.db2.gz WAIFITHBHAEGKA-UHFFFAOYSA-O 2 0 374.555 3.239 20 0 FGADRP CC(C)(C)OC(=O)NC[C@H]1CC[C@H]([NH2+]CC2CC[NH+](C3CC3)CC2)C1 ZINC000922067387 758844340 /nfs/dbraw/zinc/84/43/40/758844340.db2.gz CNPCUYYGCZXEBG-IRXDYDNUSA-N 2 0 351.535 3.144 20 0 FGADRP CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1cccc(C(F)(F)F)c1)C2 ZINC000922386371 758909510 /nfs/dbraw/zinc/90/95/10/758909510.db2.gz GZXQAZRZOIODQC-BDXSIMOUSA-N 2 0 356.432 3.275 20 0 FGADRP CC(C)[C@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1csc(C(F)(F)F)c1)C2 ZINC000922387781 758910541 /nfs/dbraw/zinc/91/05/41/758910541.db2.gz AZHWGYVNEZNSNR-RRCSTGOVSA-N 2 0 362.461 3.336 20 0 FGADRP CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]Cc3cccc(O)c3Cl)C2)[C@H]1C(C)C ZINC000922392796 758912572 /nfs/dbraw/zinc/91/25/72/758912572.db2.gz HFZITNCXAWMMDX-YCEFEEMOSA-N 2 0 352.906 3.005 20 0 FGADRP Cc1nn(CC(C)C)c(Cl)c1[C@@H]1CCC[N@@H+]1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923317247 759099289 /nfs/dbraw/zinc/09/92/89/759099289.db2.gz CSQFVZBLTMVZMP-HOTGVXAUSA-N 2 0 366.937 3.016 20 0 FGADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2C[C@@H](O)c2ccc(Cl)cc2Cl)C1 ZINC000923391400 759109872 /nfs/dbraw/zinc/10/98/72/759109872.db2.gz FEMXULDOYJNZIR-RNJTYBCJSA-N 2 0 373.324 3.388 20 0 FGADRP [NH3+]CC[C@@H]1CC[N@H+](Cc2ncc(-c3cccc(Br)c3)o2)C1 ZINC000923483963 759129314 /nfs/dbraw/zinc/12/93/14/759129314.db2.gz UOSRDKXFDMGCSL-GFCCVEGCSA-N 2 0 350.260 3.275 20 0 FGADRP [NH3+]CC[C@H]1CC[N@H+](CCC(=O)N[C@@H](c2cccs2)c2ccccc2)C1 ZINC000923486824 759129739 /nfs/dbraw/zinc/12/97/39/759129739.db2.gz KFOKQFUXUGHHME-OXJNMPFZSA-N 2 0 357.523 3.015 20 0 FGADRP C[NH+]1CCC(N2CCC([NH2+]C3CC(Sc4ccccc4)C3)CC2)CC1 ZINC000924875720 759409410 /nfs/dbraw/zinc/40/94/10/759409410.db2.gz DQHFAINQBFVCIR-UHFFFAOYSA-N 2 0 359.583 3.458 20 0 FGADRP C[C@@H]([NH2+]Cc1ccccc1CS(C)(=O)=O)c1cccc(C[NH+](C)C)c1 ZINC000925216361 759462495 /nfs/dbraw/zinc/46/24/95/759462495.db2.gz JTQOMEBIJSXCRK-MRXNPFEDSA-N 2 0 360.523 3.144 20 0 FGADRP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO)C1(Br)CC1 ZINC000926126898 759658458 /nfs/dbraw/zinc/65/84/58/759658458.db2.gz SOJTXJFLSJGVKA-RHSMWYFYSA-N 2 0 367.331 3.049 20 0 FGADRP C[C@@H]([NH2+]Cc1ccc(S(C)(=O)=O)s1)c1cccc(C[NH+](C)C)c1 ZINC000926250010 759687242 /nfs/dbraw/zinc/68/72/42/759687242.db2.gz LVVMLGDXOJXING-CYBMUJFWSA-N 2 0 352.525 3.064 20 0 FGADRP C[N@@H+]1C[C@@H]2CN(C[C@@H]3Cc4ccccc4O[C@H]3C(F)(F)F)C[C@]2(C)C1 ZINC000933733633 761464673 /nfs/dbraw/zinc/46/46/73/761464673.db2.gz GKNFRHGXVVRBSP-IDCNUPLLSA-N 2 0 354.416 3.052 20 0 FGADRP Cc1cc(C[NH+](C)C[C@@H]2CCCN2C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c(C)s1 ZINC000960640518 762736566 /nfs/dbraw/zinc/73/65/66/762736566.db2.gz HQMAHTSOUOLMRV-AYOQOUSVSA-N 2 0 363.571 3.128 20 0 FGADRP Cc1cc(C[NH+]2CCC(N(C)C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)c(C)s1 ZINC001005406564 765468859 /nfs/dbraw/zinc/46/88/59/765468859.db2.gz FBSNVUCWOOPQLS-DNVCBOLYSA-N 2 0 363.571 3.128 20 0 FGADRP C[C@@H]1[C@H](C(=O)N2CCC[C@H](C[NH2+]Cc3cccc(Cl)c3)C2)CC[N@@H+]1C ZINC001023993931 766047465 /nfs/dbraw/zinc/04/74/65/766047465.db2.gz UJXRRHYUVOZWHA-SZVBFZGTSA-N 2 0 363.933 3.008 20 0 FGADRP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]3[C@@H]2CC[NH+]3Cc2ccsc2)CC[N@@H+]1C ZINC001049483489 766786284 /nfs/dbraw/zinc/78/62/84/766786284.db2.gz XRYXAXXHBGXZRD-RDGPPVDQSA-N 2 0 361.555 3.044 20 0 FGADRP C[C@@H]1C[C@@H](NC(=O)[C@@](C)([NH3+])c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000248760198 257369688 /nfs/dbraw/zinc/36/96/88/257369688.db2.gz DJRUDMLDWULRNM-AGHHOFFYSA-N 2 0 351.494 3.030 20 0 FGADRP COc1ccc2cc(C[N@H+](C)C[C@H](O)[C@@H]([NH3+])Cc3ccccc3)ccc2c1 ZINC000567897470 505570801 /nfs/dbraw/zinc/57/08/01/505570801.db2.gz QWSPQVCEZURNEJ-GOTSBHOMSA-N 2 0 364.489 3.211 20 0 FGADRP C[C@H](CCCC[NH3+])[NH2+]Cc1c(Br)cncc1Br ZINC000423160340 500349636 /nfs/dbraw/zinc/34/96/36/500349636.db2.gz QOEVUZKCHFBIME-SECBINFHSA-N 2 0 365.113 3.214 20 0 FGADRP C[N@@H+]1CCC[C@H](CNC(=O)NCc2ccc(C[NH3+])cc2)[C@H]1c1cccs1 ZINC000570839871 505592463 /nfs/dbraw/zinc/59/24/63/505592463.db2.gz PEQUILKREUUNQL-MJGOQNOKSA-N 2 0 372.538 3.089 20 0 FGADRP CCCCNC(=O)CC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000567995589 505592817 /nfs/dbraw/zinc/59/28/17/505592817.db2.gz PGCYCFLATFVUCO-QGZVFWFLSA-N 2 0 351.560 3.117 20 0 FGADRP CC(C)C[NH+]1CCC(NC(=O)N[C@]2(C)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000568009122 505595538 /nfs/dbraw/zinc/59/55/38/505595538.db2.gz WCISHFPMFLLOTA-JOCHJYFZSA-N 2 0 372.557 3.071 20 0 FGADRP C[C@H]([NH2+]CCNC(=O)CC1CCCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000576882960 505616242 /nfs/dbraw/zinc/61/62/42/505616242.db2.gz OSQUGVOWUYMOMD-GHTZIAJQSA-N 2 0 357.542 3.183 20 0 FGADRP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)NCC[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)C1 ZINC000576965679 505635415 /nfs/dbraw/zinc/63/54/15/505635415.db2.gz SNRJFWRPEHLQNQ-KOUHRCEDSA-N 2 0 372.557 3.056 20 0 FGADRP CC(C)[C@@H](C(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1)[C@H](C)[NH3+] ZINC000579948813 505650912 /nfs/dbraw/zinc/65/09/12/505650912.db2.gz ZYAOQBZMGCNRTG-HNAYVOBHSA-N 2 0 365.949 3.288 20 0 FGADRP [NH3+][C@H]1CCO[C@@H](C2CC[NH+](Cc3cccc(-c4cccnc4)c3)CC2)C1 ZINC000574021363 505675590 /nfs/dbraw/zinc/67/55/90/505675590.db2.gz IOTJLYXDUCZVOM-FCHUYYIVSA-N 2 0 351.494 3.467 20 0 FGADRP C[C@@H]([NH2+]C1(CNC(=O)N(C)C2CC[NH2+]CC2)CCCC1)c1ccccc1 ZINC000574024183 505676197 /nfs/dbraw/zinc/67/61/97/505676197.db2.gz IGARBNAQAFNWJE-QGZVFWFLSA-N 2 0 358.530 3.043 20 0 FGADRP COc1ccc(C[NH+]2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)c(Cl)c1OC ZINC000577162287 505676909 /nfs/dbraw/zinc/67/69/09/505676909.db2.gz XODUYBWTWJLDAX-NVXWUHKLSA-N 2 0 368.905 3.076 20 0 FGADRP O[C@@H](C[NH2+]CCCC[NH+]1CCC(Cc2ccccc2)CC1)C(F)(F)F ZINC000568384457 505681917 /nfs/dbraw/zinc/68/19/17/505681917.db2.gz HKUOPGFTEUWFIY-SFHVURJKSA-N 2 0 358.448 3.234 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1cc(F)ccc1C ZINC000076330880 493866844 /nfs/dbraw/zinc/86/68/44/493866844.db2.gz JGIIUSLXFKQWOH-KRWDZBQOSA-N 2 0 350.482 3.014 20 0 FGADRP C[C@@H](CNC(=O)NC1CC[NH+](CC2CCCC2)CC1)[N@@H+]1CCC[C@H](C)C1 ZINC000068887158 493889327 /nfs/dbraw/zinc/88/93/27/493889327.db2.gz LPSSWWKOFRGIMM-ROUUACIJSA-N 2 0 364.578 3.061 20 0 FGADRP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc(OCc3ccncc3)c(OC)c2)C1 ZINC000069160319 493929311 /nfs/dbraw/zinc/92/93/11/493929311.db2.gz RXASDDXGNHGZRL-FQEVSTJZSA-N 2 0 369.509 3.491 20 0 FGADRP C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)[C@H]2C[C@@H]3CCCC[NH+]3C2)CC1 ZINC000081654510 493938799 /nfs/dbraw/zinc/93/87/99/493938799.db2.gz DDFLRHGCYPQEOH-VXKWHMMOSA-N 2 0 369.553 3.231 20 0 FGADRP CCC[N@@H+]1CC[C@@H](CNC(=O)NCC(C)(C)[NH2+][C@@H](C)c2ccccc2)C1 ZINC000069295894 493951766 /nfs/dbraw/zinc/95/17/66/493951766.db2.gz METSPRBWRLLYNA-ROUUACIJSA-N 2 0 360.546 3.147 20 0 FGADRP CC(C)Oc1cccc(C[NH2+]Cc2ccc(C(=O)NCC[NH+](C)C)cc2)c1 ZINC000076893857 493985029 /nfs/dbraw/zinc/98/50/29/493985029.db2.gz FBSZCCQNEVXYSS-UHFFFAOYSA-N 2 0 369.509 3.055 20 0 FGADRP C[NH+](C)CCOc1ccc(C[NH2+]C[C@@H]2CCN(c3ccccc3)C2)cc1 ZINC000069679076 493995985 /nfs/dbraw/zinc/99/59/85/493995985.db2.gz UTKKNVWQLJXDCN-FQEVSTJZSA-N 2 0 353.510 3.243 20 0 FGADRP C[C@H]1CCC[C@@](CNC(=O)NCCC[NH2+]C2CCCCC2)([NH+](C)C)C1 ZINC000062641537 494019927 /nfs/dbraw/zinc/01/99/27/494019927.db2.gz BFAPBTWRGYLDKC-FXAWDEMLSA-N 2 0 352.567 3.109 20 0 FGADRP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000063758746 494084230 /nfs/dbraw/zinc/08/42/30/494084230.db2.gz RGQPCUFTIVTNAD-SJBKTWHCSA-N 2 0 371.569 3.383 20 0 FGADRP C[C@@H](NC(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1)C(C)(C)C[NH+](C)C ZINC000085358861 494116511 /nfs/dbraw/zinc/11/65/11/494116511.db2.gz DPZUQMRDMQURSB-IEBWSBKVSA-N 2 0 360.546 3.099 20 0 FGADRP C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000085386984 494118673 /nfs/dbraw/zinc/11/86/73/494118673.db2.gz FPBOYYHLSPHNNI-OALUTQOASA-N 2 0 364.578 3.157 20 0 FGADRP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(I)cc2)C1 ZINC000088174487 494211091 /nfs/dbraw/zinc/21/10/91/494211091.db2.gz XNUMRYRCHSGLIK-AWEZNQCLSA-N 2 0 358.267 3.111 20 0 FGADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)NCCC[NH2+]C2CCCCC2)C1 ZINC000065522525 494209322 /nfs/dbraw/zinc/20/93/22/494209322.db2.gz SZFWDQPLZDDHOY-RXVVDRJESA-N 2 0 372.557 3.434 20 0 FGADRP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(I)cc2)C1 ZINC000088174486 494211373 /nfs/dbraw/zinc/21/13/73/494211373.db2.gz XNUMRYRCHSGLIK-CQSZACIVSA-N 2 0 358.267 3.111 20 0 FGADRP CC[NH2+]CCCNC(=O)NCc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000568489145 505707801 /nfs/dbraw/zinc/70/78/01/505707801.db2.gz DBEBBVXLJJSKAL-UHFFFAOYSA-N 2 0 368.525 3.214 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000042910768 494251792 /nfs/dbraw/zinc/25/17/92/494251792.db2.gz QPSSEISTRQERLC-MRXNPFEDSA-N 2 0 352.567 3.249 20 0 FGADRP O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)N1CCC([NH+]2CCCC2)CC1 ZINC000043135880 494267148 /nfs/dbraw/zinc/26/71/48/494267148.db2.gz UZHHIRCGSHBBMG-IBGZPJMESA-N 2 0 374.529 3.076 20 0 FGADRP CC[N@H+](C)C[C@@H]1CC[NH+](CCC(=O)Nc2cccc(Br)c2)C1 ZINC000072860069 494268460 /nfs/dbraw/zinc/26/84/60/494268460.db2.gz WDNLSUNIGTVVHE-AWEZNQCLSA-N 2 0 368.319 3.051 20 0 FGADRP C[NH+](C)[C@H](CNC(=O)NC[C@H](C1CCCCC1)[NH+](C)C)c1cccs1 ZINC000043144081 494269725 /nfs/dbraw/zinc/26/97/25/494269725.db2.gz DEFXEXJRUXUAQK-IAGOWNOFSA-N 2 0 366.575 3.161 20 0 FGADRP CC[N@H+](C)[C@H](C(=O)NC[C@@H](c1ccc(C)cc1)[NH+](C)C)c1ccccc1 ZINC000078402371 494292470 /nfs/dbraw/zinc/29/24/70/494292470.db2.gz QZOXDRNAORCICP-SFTDATJTSA-N 2 0 353.510 3.407 20 0 FGADRP CC[NH+](CC)[C@H](C(=O)NC[C@@H]1CC[N@H+](C)C1)c1cccc(C(F)(F)F)c1 ZINC000073012991 494305383 /nfs/dbraw/zinc/30/53/83/494305383.db2.gz YRILAERJAXJRAA-YOEHRIQHSA-N 2 0 371.447 3.156 20 0 FGADRP CC[NH+](CC)[C@@H](C(=O)NC[C@H]1CC[N@H+](C)C1)c1cccc(C(F)(F)F)c1 ZINC000073013000 494305484 /nfs/dbraw/zinc/30/54/84/494305484.db2.gz YRILAERJAXJRAA-RHSMWYFYSA-N 2 0 371.447 3.156 20 0 FGADRP CC(C)[NH+]1CCC(C(=O)NCC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000073075284 494317817 /nfs/dbraw/zinc/31/78/17/494317817.db2.gz SOLSYMBSGRRNLP-UHFFFAOYSA-N 2 0 357.542 3.135 20 0 FGADRP [NH3+]C1(C[NH2+][C@@H]2CCCC[C@H](N3C(=O)c4ccccc4C3=O)C2)CCCCC1 ZINC000574188618 505714954 /nfs/dbraw/zinc/71/49/54/505714954.db2.gz RTUUKMIFTTXROM-SJORKVTESA-N 2 0 369.509 3.235 20 0 FGADRP Cc1ccc(C)c(OC[C@H](O)C[NH2+]CCCc2nc3ccccc3[nH]2)c1C ZINC000574191801 505716267 /nfs/dbraw/zinc/71/62/67/505716267.db2.gz ILAYEWWFBLECNW-GOSISDBHSA-N 2 0 367.493 3.450 20 0 FGADRP C[NH+](C)C[C@H](NC(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(F)cc1 ZINC000577387992 505718490 /nfs/dbraw/zinc/71/84/90/505718490.db2.gz ZJMSRQUSKPZUSR-CTNGQTDRSA-N 2 0 369.484 3.067 20 0 FGADRP O=C(NCc1ccccc1C[NH+]1CCCC1)N1CCC([NH+]2CCCC2)CC1 ZINC000045190558 494405130 /nfs/dbraw/zinc/40/51/30/494405130.db2.gz OSOVISBUOLWVGT-UHFFFAOYSA-N 2 0 370.541 3.052 20 0 FGADRP O=C(NCc1cccc(C[NH+]2CCCC2)c1)N1CC[NH+](C2CCCC2)CC1 ZINC000079197968 494417921 /nfs/dbraw/zinc/41/79/21/494417921.db2.gz LKUVNXWHYFENRW-UHFFFAOYSA-N 2 0 370.541 3.052 20 0 FGADRP CCOc1ccccc1[C@@H](C)[NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000090038532 494431630 /nfs/dbraw/zinc/43/16/30/494431630.db2.gz VXXRCWTTXXTQBC-QGZVFWFLSA-N 2 0 369.509 3.228 20 0 FGADRP CC(C)[NH+]1CCC([N@H+](C)C[C@@H](O)COCc2ccccc2Cl)CC1 ZINC000073895178 494444122 /nfs/dbraw/zinc/44/41/22/494444122.db2.gz AKBYVBPJRFKMPY-GOSISDBHSA-N 2 0 354.922 3.022 20 0 FGADRP CCCC[N@H+](C)CC1CC[NH+]([C@H](C)C(=O)N(C)Cc2ccccc2)CC1 ZINC000066960829 494445725 /nfs/dbraw/zinc/44/57/25/494445725.db2.gz ZZMHPFXPXXJWCY-LJQANCHMSA-N 2 0 359.558 3.477 20 0 FGADRP C[C@@H]([NH2+]CCOc1ccc(Cl)cn1)c1cccc(OCC[NH+](C)C)c1 ZINC000090409436 494463688 /nfs/dbraw/zinc/46/36/88/494463688.db2.gz QJVKFBHGHCCGNZ-OAHLLOKOSA-N 2 0 363.889 3.405 20 0 FGADRP C[NH+](C)CCOc1cc(C[NH2+][C@@H]2CCSc3ccc(F)cc32)ccn1 ZINC000090937431 494504463 /nfs/dbraw/zinc/50/44/63/494504463.db2.gz OKLOLAZVPDVEFZ-QGZVFWFLSA-N 2 0 361.486 3.488 20 0 FGADRP C[NH+](C)CCOc1cc(C[NH2+][C@H](C[C@@H]2CCOC2)c2ccccc2)ccn1 ZINC000090937392 494505051 /nfs/dbraw/zinc/50/50/51/494505051.db2.gz ZEPLAYKXGWBZIK-PZJWPPBQSA-N 2 0 369.509 3.280 20 0 FGADRP CCc1ccc([C@@H](C)NC(=O)[C@H](C)[NH+]2CCC(CC[NH+](C)C)CC2)cc1 ZINC000056523321 494519714 /nfs/dbraw/zinc/51/97/14/494519714.db2.gz JTUBRJOVBOVZHC-MSOLQXFVSA-N 2 0 359.558 3.478 20 0 FGADRP CC(C)[NH+](C)Cc1ccccc1CNC(=O)N[C@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000056786998 494563038 /nfs/dbraw/zinc/56/30/38/494563038.db2.gz IDRVWHOXQKMODR-RBUKOAKNSA-N 2 0 374.573 3.446 20 0 FGADRP C[NH+]1CCN(CCC[NH2+][C@H](c2ccc(Br)cc2)C2CC2)CC1 ZINC000091266636 494575968 /nfs/dbraw/zinc/57/59/68/494575968.db2.gz AYDISCRIMSKKEY-SFHVURJKSA-N 2 0 366.347 3.127 20 0 FGADRP CC(C)[NH+](CCNC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)C(C)C ZINC000080055565 494577722 /nfs/dbraw/zinc/57/77/22/494577722.db2.gz SHLIEIQVHQUJBG-TZIWHRDSSA-N 2 0 374.573 3.458 20 0 FGADRP CC[NH+]1CCN(CCC[NH2+][C@@H]2CCc3c2cccc3Br)CC1 ZINC000091285079 494578329 /nfs/dbraw/zinc/57/83/29/494578329.db2.gz YCBCBOLEHVGIBS-GOSISDBHSA-N 2 0 366.347 3.054 20 0 FGADRP Cc1cccc(CN(CC[NH+](C)C)C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c1 ZINC000074792993 494602287 /nfs/dbraw/zinc/60/22/87/494602287.db2.gz UXKAZNFISNFRJA-SEJPIABJSA-N 2 0 372.557 3.084 20 0 FGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H]2CCCOc3ccc(Cl)cc32)CC1 ZINC000121120470 494605415 /nfs/dbraw/zinc/60/54/15/494605415.db2.gz UFMJCKLRKRSZAM-APWZRJJASA-N 2 0 365.949 3.417 20 0 FGADRP C[C@H]([NH2+]C1CCN(Cc2ccc(Cl)cc2)CC1)C(=O)NC(C)(C)C ZINC000121128418 494608919 /nfs/dbraw/zinc/60/89/19/494608919.db2.gz XYMKHTMFLNHTFK-AWEZNQCLSA-N 2 0 351.922 3.197 20 0 FGADRP CN(c1ccccc1C[NH+]1CCC(CC[NH+](C)C)CC1)C1CC[NH+](C)CC1 ZINC000092381183 494610098 /nfs/dbraw/zinc/61/00/98/494610098.db2.gz LOMNLJBOZMUVSG-UHFFFAOYSA-N 3 0 372.601 3.381 20 0 FGADRP CCC[NH+]1CCC(NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000080153721 494616334 /nfs/dbraw/zinc/61/63/34/494616334.db2.gz OHNGXOFVUJLHTD-NQIIRXRSSA-N 2 0 372.557 3.213 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)NC1CC[NH+](CC(C)C)CC1)c1ccco1 ZINC000067708209 494619840 /nfs/dbraw/zinc/61/98/40/494619840.db2.gz KWQARUUUDDCBQA-SFHVURJKSA-N 2 0 364.534 3.082 20 0 FGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H](C)c2sc(C(C)C)nc2C)CC1 ZINC000121156204 494622274 /nfs/dbraw/zinc/62/22/74/494622274.db2.gz WTURMTKFGJAGOA-HZPDHXFCSA-N 2 0 352.592 3.499 20 0 FGADRP CC(C)[NH+](CCCNC(=O)NC1CC[NH+](CC2CCCC2)CC1)C(C)C ZINC000074868419 494629505 /nfs/dbraw/zinc/62/95/05/494629505.db2.gz HTAVTAYOPUSWKY-UHFFFAOYSA-N 2 0 366.594 3.449 20 0 FGADRP COc1cc(C[NH+]2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)ccc1OC(F)F ZINC000574258782 505733255 /nfs/dbraw/zinc/73/32/55/505733255.db2.gz NSQATZRXBWDBBU-MAUKXSAKSA-N 2 0 370.440 3.015 20 0 FGADRP COc1sc(C[NH2+]C[C@@H](C)Cn2ccnc2C)cc1Br ZINC000121287509 494683271 /nfs/dbraw/zinc/68/32/71/494683271.db2.gz GGHDZMYRXOQLQU-SNVBAGLBSA-N 2 0 358.305 3.450 20 0 FGADRP C[C@H]([NH2+]CCCC[NH+]1CCN(c2ccccc2)CC1)c1ccc(F)cn1 ZINC000092741134 494733467 /nfs/dbraw/zinc/73/34/67/494733467.db2.gz QQRQLSVLICMSAY-SFHVURJKSA-N 2 0 356.489 3.474 20 0 FGADRP COc1cccc(C[C@@H]([NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)C2CC2)c1 ZINC000121395770 494737591 /nfs/dbraw/zinc/73/75/91/494737591.db2.gz NMLBFBSBLYFOFJ-PGRDOPGGSA-N 2 0 358.526 3.107 20 0 FGADRP CN(CC[N@H+](C)Cc1cc(F)cc(Br)c1)C1CC[NH+](C)CC1 ZINC000126419442 494744802 /nfs/dbraw/zinc/74/48/02/494744802.db2.gz VOQSVEBNFPPOIO-UHFFFAOYSA-N 2 0 372.326 3.046 20 0 FGADRP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](CCCN(C)c2ccccc2)CC1 ZINC000568623834 505739289 /nfs/dbraw/zinc/73/92/89/505739289.db2.gz WJBMBSABDYGZIT-NHCUHLMSSA-N 2 0 358.574 3.003 20 0 FGADRP CCCCCNC(=O)[C@@H](C)[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821341 494763264 /nfs/dbraw/zinc/76/32/64/494763264.db2.gz ZBGREGSGYIGCDO-GOSISDBHSA-N 2 0 360.546 3.315 20 0 FGADRP C[C@H]1C[C@H](C)CN(C(=O)C[N@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000092821320 494763718 /nfs/dbraw/zinc/76/37/18/494763718.db2.gz MHVPGSGRJRPMAO-OALUTQOASA-N 2 0 372.557 3.124 20 0 FGADRP CCC[NH+]1CCN(c2ccccc2C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)CC1 ZINC000092043328 494766033 /nfs/dbraw/zinc/76/60/33/494766033.db2.gz XUOZUZIRJDIRSW-IRLDBZIGSA-N 3 0 370.585 3.135 20 0 FGADRP C[NH+](C)CC[C@@H](NC(=O)NCc1ccc(F)c(C[NH+](C)C)c1)C(C)(C)C ZINC000116433488 494785430 /nfs/dbraw/zinc/78/54/30/494785430.db2.gz LDUHUCDBTXKLDD-GOSISDBHSA-N 2 0 366.525 3.053 20 0 FGADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H]2CCCOc3cc4c(cc32)CCCC4)CC1 ZINC000126552153 494787323 /nfs/dbraw/zinc/78/73/23/494787323.db2.gz FIWILAIFQWWTLH-PGRDOPGGSA-N 2 0 371.569 3.395 20 0 FGADRP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N[C@@H](C)C[NH+]2CCCCC2)CC1 ZINC000116529778 494808611 /nfs/dbraw/zinc/80/86/11/494808611.db2.gz UZAOJUMYKSARKB-RBUKOAKNSA-N 2 0 372.557 3.386 20 0 FGADRP O=C(C[NH+]1CCC(CCC[NH+]2CCCC2)CC1)NCc1ccc(F)cc1 ZINC000121637853 494827239 /nfs/dbraw/zinc/82/72/39/494827239.db2.gz UGZDSHJRMSMMQD-UHFFFAOYSA-N 2 0 361.505 3.030 20 0 FGADRP CCCn1cc(C[NH2+]CCCC[NH+]2CCN(c3cccc(C)c3)CC2)cn1 ZINC000116912985 494869900 /nfs/dbraw/zinc/86/99/00/494869900.db2.gz JSGLEGOMFDTYNG-UHFFFAOYSA-N 2 0 369.557 3.294 20 0 FGADRP COC(=O)CCC1CC[NH+](Cc2ccc(OCC[NH+]3CCCC3)cc2)CC1 ZINC000093341681 494874448 /nfs/dbraw/zinc/87/44/48/494874448.db2.gz DXWWAGBJFNGMIW-UHFFFAOYSA-N 2 0 374.525 3.326 20 0 FGADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]CCSCCOc2cccc(Br)c2)C1 ZINC000568664382 505747954 /nfs/dbraw/zinc/74/79/54/505747954.db2.gz RIWIDUYICAMYSJ-HUUCEWRRSA-N 2 0 373.360 3.421 20 0 FGADRP Cc1cc(C)c2c(c1)[C@H]([NH2+]C[C@H](C(C)C)N1CC[NH+](C)CC1)CCCO2 ZINC000132535942 494889322 /nfs/dbraw/zinc/88/93/22/494889322.db2.gz HEBXZHNPRYDQCK-NHCUHLMSSA-N 2 0 359.558 3.379 20 0 FGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+][C@H](C)c2cnn(C)c2)CC1 ZINC000127250374 494917115 /nfs/dbraw/zinc/91/71/15/494917115.db2.gz PBYHKDMLXFWWNR-HZPDHXFCSA-N 2 0 359.493 3.113 20 0 FGADRP CCC[NH+]1CCC([N@H+](C)C[C@@H](O)COc2cccc(C(F)(F)F)c2)CC1 ZINC000109786185 494917966 /nfs/dbraw/zinc/91/79/66/494917966.db2.gz YHGNZMYMQMEOIV-QGZVFWFLSA-N 2 0 374.447 3.251 20 0 FGADRP COCc1ccc(C[NH+]2CCC(CC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)o1 ZINC000093844186 494927297 /nfs/dbraw/zinc/92/72/97/494927297.db2.gz OMTMDBAZUWHJPA-IAGOWNOFSA-N 2 0 350.503 3.137 20 0 FGADRP Cc1c([C@@H](C)[NH2+]C[C@H](C)N2CC[NH+](C)CC2)cnn1-c1cc(C)ccc1C ZINC000127338365 494930766 /nfs/dbraw/zinc/93/07/66/494930766.db2.gz ZSBOYQOVQWLMAA-RBUKOAKNSA-N 2 0 369.557 3.084 20 0 FGADRP CC[NH+](CC)CCOc1ccc(NC(=O)NC2CC[NH+](CC)CC2)cc1 ZINC000110073557 494946237 /nfs/dbraw/zinc/94/62/37/494946237.db2.gz RJCAVABTUNCHSQ-UHFFFAOYSA-N 2 0 362.518 3.013 20 0 FGADRP C[C@@H](C[NH2+][C@@H]1CCCSc2ccc(Cl)cc21)N1CC[NH+](C)CC1 ZINC000127646503 494975847 /nfs/dbraw/zinc/97/58/47/494975847.db2.gz HARSDLAJLUKTQT-WMLDXEAASA-N 2 0 353.963 3.493 20 0 FGADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H](c2ccccc2Cl)N2CCOCC2)[C@H](C)C1 ZINC000122704906 495019165 /nfs/dbraw/zinc/01/91/65/495019165.db2.gz VITAXXJTAYUQAW-UXPWSPDFSA-N 2 0 365.949 3.033 20 0 FGADRP C[NH+](C)CCOc1ccc(C[NH2+]C2CCN(c3ccccc3)CC2)cc1 ZINC000098172538 495062739 /nfs/dbraw/zinc/06/27/39/495062739.db2.gz JXOBQKAHBQSYFS-UHFFFAOYSA-N 2 0 353.510 3.386 20 0 FGADRP Cc1nccn1C[C@H](C)C[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000133934300 495082904 /nfs/dbraw/zinc/08/29/04/495082904.db2.gz OZOFJFGNNHEYPR-GOSISDBHSA-N 2 0 369.557 3.148 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NCCCC[NH+]2C[C@H](C)C[C@H](C)C2)[C@H](C)C1 ZINC000128367343 495085795 /nfs/dbraw/zinc/08/57/95/495085795.db2.gz MHITVUGLDPKZFK-WCIQWLHISA-N 2 0 366.594 3.116 20 0 FGADRP C[C@@H](C(=O)NCC1CC[NH+](Cc2cccs2)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000101663871 495090276 /nfs/dbraw/zinc/09/02/76/495090276.db2.gz DUGSFWFELXPHPR-ZACQAIPSSA-N 2 0 363.571 3.338 20 0 FGADRP Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000128458943 495100313 /nfs/dbraw/zinc/10/03/13/495100313.db2.gz JORNNXKTCBZEIC-INIZCTEOSA-N 2 0 373.570 3.192 20 0 FGADRP C[C@H]1CCCC[N@@H+]1CCCNC(=O)NCCCCC[NH+]1CCCCC1 ZINC000111805312 495113127 /nfs/dbraw/zinc/11/31/27/495113127.db2.gz BKEMYVHGVSORRL-IBGZPJMESA-N 2 0 352.567 3.206 20 0 FGADRP CCC(CC)[C@@H](CNC(=O)N1CCC([NH2+]C(C)C)CC1)[NH+]1CCCC1 ZINC000111812255 495114501 /nfs/dbraw/zinc/11/45/01/495114501.db2.gz QGZJCUPUWUEENR-LJQANCHMSA-N 2 0 352.567 3.059 20 0 FGADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@@H](C[NH3+])c1ccc2ccccc2c1 ZINC000577604943 505763048 /nfs/dbraw/zinc/76/30/48/505763048.db2.gz KQWRUEBZQGVZKS-UXHICEINSA-N 2 0 354.498 3.013 20 0 FGADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000119341823 495145753 /nfs/dbraw/zinc/14/57/53/495145753.db2.gz QSIMKBUJHIOTBS-PXNSSMCTSA-N 2 0 372.557 3.069 20 0 FGADRP CCCC[N@H+](C)CC1CC[NH+](C[C@@H](O)COc2cccc3[nH]ccc32)CC1 ZINC000128836686 495156784 /nfs/dbraw/zinc/15/67/84/495156784.db2.gz WUDBQVMMYLFVRZ-LJQANCHMSA-N 2 0 373.541 3.352 20 0 FGADRP Cc1cccc(CN(CC[NH+](C)C)C(=O)c2ccc(C[NH+](C)C)cc2)c1 ZINC000103113234 495193244 /nfs/dbraw/zinc/19/32/44/495193244.db2.gz VNTQDUHSHYESRS-UHFFFAOYSA-N 2 0 353.510 3.261 20 0 FGADRP C[NH+](C)CCNC(=O)c1ccc(C[NH2+]Cc2cc3ccccc3o2)cc1 ZINC000123883548 495201218 /nfs/dbraw/zinc/20/12/18/495201218.db2.gz GOMTVQSKDPAUIB-UHFFFAOYSA-N 2 0 351.450 3.014 20 0 FGADRP CC1CC[NH+](C[C@H]2CCCN(C(=O)NCCCC[NH+]3CCCC3)C2)CC1 ZINC000103305892 495217084 /nfs/dbraw/zinc/21/70/84/495217084.db2.gz SSTVBOXHAKNXRZ-HXUWFJFHSA-N 2 0 364.578 3.016 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)NCCC1CC[NH+](C)CC1)c1ccsc1 ZINC000103304855 495217138 /nfs/dbraw/zinc/21/71/38/495217138.db2.gz NPEMWVGYMOWSQF-SFHVURJKSA-N 2 0 366.575 3.162 20 0 FGADRP CC[NH+](CC)Cc1ccc(CNC(=O)N(C)CC2CC[NH+](C)CC2)cc1 ZINC000103506534 495244214 /nfs/dbraw/zinc/24/42/14/495244214.db2.gz BHFZOEGQHUDMHA-UHFFFAOYSA-N 2 0 360.546 3.012 20 0 FGADRP CN(C)CC[NH+]1CCC(C[NH2+][C@@H]2CC3(CCC3)Oc3ccccc32)CC1 ZINC000124473858 495293366 /nfs/dbraw/zinc/29/33/66/495293366.db2.gz ODKUYKVQZQRYBT-HXUWFJFHSA-N 2 0 357.542 3.296 20 0 FGADRP CC(C)[NH+](CCNC(=O)NC1CCC([NH+]2CCC(C)CC2)CC1)C(C)C ZINC000120079261 495302447 /nfs/dbraw/zinc/30/24/47/495302447.db2.gz SBZAPROTGOMKLL-UHFFFAOYSA-N 2 0 366.594 3.448 20 0 FGADRP C[N@H+](Cc1ccccc1C[NH2+]C1CCN(C(N)=O)CC1)C1CCCCC1 ZINC000129863082 495306417 /nfs/dbraw/zinc/30/64/17/495306417.db2.gz KICUTUMQYVNFLI-UHFFFAOYSA-N 2 0 358.530 3.084 20 0 FGADRP C[C@H]1OCC[C@@H]1[NH2+]Cc1ccccc1C[NH+]1CCN(c2ccccc2)CC1 ZINC000120133823 495314065 /nfs/dbraw/zinc/31/40/65/495314065.db2.gz SXVJSPNMBWWUQL-XXBNENTESA-N 2 0 365.521 3.276 20 0 FGADRP CN1CCC([NH+]2CCC(NC(=O)NCC(C)(C)C3CCCC3)CC2)CC1 ZINC000120158597 495317794 /nfs/dbraw/zinc/31/77/94/495317794.db2.gz VZYXYSLMDKBBQM-UHFFFAOYSA-N 2 0 364.578 3.061 20 0 FGADRP CC(C)[NH2+]C1CCN(C(=O)NCC(C)(C)[NH2+][C@H](C)c2ccccc2)CC1 ZINC000113625709 495322941 /nfs/dbraw/zinc/32/29/41/495322941.db2.gz DNCMLHCSBZQQKD-QGZVFWFLSA-N 2 0 360.546 3.288 20 0 FGADRP CCC(CC)(CNC(=O)N1CC[C@H](C[NH+](C)C)C1)[NH2+][C@H](C)c1ccccc1 ZINC000129993785 495325474 /nfs/dbraw/zinc/32/54/74/495325474.db2.gz IFALLXDOFFUFPN-RTBURBONSA-N 2 0 374.573 3.489 20 0 FGADRP CC(C)C[C@H](C[NH2+]C1CC[NH+](C2CCCCC2)CC1)N1CCOCC1 ZINC000120215001 495328955 /nfs/dbraw/zinc/32/89/55/495328955.db2.gz LDXWTTIVKJFQLG-OAQYLSRUSA-N 2 0 351.579 3.120 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N2CCC[C@H]([NH+](C)C)C2)cc1 ZINC000105112965 495337666 /nfs/dbraw/zinc/33/76/66/495337666.db2.gz TZELNWWDHFQUAI-NQIIRXRSSA-N 2 0 372.557 3.297 20 0 FGADRP C[C@@H](C[NH2+][C@@H]1CC2(CCCCC2)Oc2ccccc21)N1CC[NH+](C)CC1 ZINC000130108014 495343265 /nfs/dbraw/zinc/34/32/65/495343265.db2.gz LXUYGJPLKQAHDH-AZUAARDMSA-N 2 0 357.542 3.439 20 0 FGADRP C[C@H](CC(=O)NCC[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH2+]C1 ZINC000574450898 505776114 /nfs/dbraw/zinc/77/61/14/505776114.db2.gz XLIJFFJEYBOTLA-NPDDRXJXSA-N 2 0 371.569 3.429 20 0 FGADRP O=C(NCC[NH+]1CCCC1)c1ccc(CNCc2cccc(F)c2F)cc1 ZINC000130195153 495355372 /nfs/dbraw/zinc/35/53/72/495355372.db2.gz XYLDPLWYENOHIL-UHFFFAOYSA-N 2 0 373.447 3.080 20 0 FGADRP OC[C@H](Cc1ccccc1)[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000130323159 495373002 /nfs/dbraw/zinc/37/30/02/495373002.db2.gz ZAOOYBFBWIMFTH-CWBXHPNXSA-N 2 0 350.506 3.090 20 0 FGADRP Cc1nccn1CCCC[NH+]1CCC(CC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000125086955 495388405 /nfs/dbraw/zinc/38/84/05/495388405.db2.gz VEQDQYVEGKQTLW-OALUTQOASA-N 2 0 362.562 3.183 20 0 FGADRP Cc1nn(C)c(C)c1C[C@H](C)[NH2+][C@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000120571821 495408152 /nfs/dbraw/zinc/40/81/52/495408152.db2.gz AVMVGPUNFZFDMW-JKSUJKDBSA-N 2 0 358.530 3.259 20 0 FGADRP C[C@@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]CCC1CC[NH+](C)CC1 ZINC000125285118 495420217 /nfs/dbraw/zinc/42/02/17/495420217.db2.gz QSBWNUHRILGHRQ-INIZCTEOSA-N 2 0 365.949 3.399 20 0 FGADRP CSC1(C[NH2+]CCCC[NH+]2CCN(Cc3ccccc3)CC2)CCC1 ZINC000568810544 505781780 /nfs/dbraw/zinc/78/17/80/505781780.db2.gz SNTXNYCHLNGOPS-UHFFFAOYSA-N 2 0 361.599 3.460 20 0 FGADRP C[C@H]1C[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)C[N@@H+]1Cc1ccccc1 ZINC000137482705 495442225 /nfs/dbraw/zinc/44/22/25/495442225.db2.gz DYNRKIAFEIYFLX-LAUBAEHRSA-N 2 0 351.494 3.141 20 0 FGADRP CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)c1cccc(C[NH+](C)C)c1 ZINC000130802118 495447689 /nfs/dbraw/zinc/44/76/89/495447689.db2.gz MULYHXXFXRIZJW-UHFFFAOYSA-N 2 0 366.509 3.132 20 0 FGADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)CC(=O)Nc2ccc(Br)cc2)C1 ZINC000120798315 495459631 /nfs/dbraw/zinc/45/96/31/495459631.db2.gz GFGYVOHUDXHGOV-KBPBESRZSA-N 2 0 368.319 3.098 20 0 FGADRP Cc1ccc([C@@H](CNC(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)[NH+]2CCCC2)o1 ZINC000106554536 495468924 /nfs/dbraw/zinc/46/89/24/495468924.db2.gz MWSOCOQUWYZZBB-PKOBYXMFSA-N 2 0 374.529 3.041 20 0 FGADRP CC[C@H](C)[C@H]1CN(Cc2ccc(C)nc2)CC[N@@H+]1CC[C@@H]1CCC[NH+]1C ZINC000130985700 495475399 /nfs/dbraw/zinc/47/53/99/495475399.db2.gz VAXDCPADSXNUEV-YUXAGFNASA-N 2 0 358.574 3.407 20 0 FGADRP Cc1ccccc1[C@H]([C@H](C)NC(=O)NCc1ccc2c[nH+]cn2c1)[NH+](C)C ZINC000574497614 505785978 /nfs/dbraw/zinc/78/59/78/505785978.db2.gz MXIJIYZQDIKLLD-JXFKEZNVSA-N 2 0 365.481 3.133 20 0 FGADRP CC[N@H+](C)Cc1cccc(CNC(=O)N[C@@H](C)C[NH+]2CCC[C@H](C)C2)c1 ZINC000141172169 495503240 /nfs/dbraw/zinc/50/32/40/495503240.db2.gz QOCNHXFTCWHAKQ-ROUUACIJSA-N 2 0 360.546 3.058 20 0 FGADRP CC(C)[C@H](C(=O)Nc1cccc(NC(=O)C[NH+]2CCCCCC2)c1)[NH+](C)C ZINC000106914207 495511563 /nfs/dbraw/zinc/51/15/63/495511563.db2.gz QFMPHANMROFWQQ-HXUWFJFHSA-N 2 0 374.529 3.026 20 0 FGADRP C[NH+]1CCN(c2ncccc2C[NH2+][C@@H]2CCc3cc(Cl)ccc32)CC1 ZINC000158522050 495530727 /nfs/dbraw/zinc/53/07/27/495530727.db2.gz YCNMPTBUENDIAO-LJQANCHMSA-N 2 0 356.901 3.264 20 0 FGADRP CN(C)[C@H](C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1)c1ccccc1 ZINC000144147437 495542022 /nfs/dbraw/zinc/54/20/22/495542022.db2.gz FEESNRDVLVROSP-HKUYNNGSSA-N 2 0 357.523 3.304 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+]C2CCN(C(=O)c3ccco3)CC2)C1 ZINC000158604331 495547861 /nfs/dbraw/zinc/54/78/61/495547861.db2.gz CAQPPVHHBFWLJJ-HDICACEKSA-N 2 0 361.530 3.232 20 0 FGADRP CC(C)[C@H](CNC(=O)NC1CC[NH+](C2CCCCC2)CC1)[NH+]1CCCC1 ZINC000176330042 495603710 /nfs/dbraw/zinc/60/37/10/495603710.db2.gz OKKIRQNQIOMEHR-FQEVSTJZSA-N 2 0 364.578 3.203 20 0 FGADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC(C(=O)N(Cc2ccccc2)C2CC2)CC1 ZINC000179471829 495605182 /nfs/dbraw/zinc/60/51/82/495605182.db2.gz QEMDMRRLAQIRSC-NRFANRHFSA-N 2 0 369.553 3.374 20 0 FGADRP CN(CC[N@H+](C)C1CCCCC1)C(=O)c1ccc2c(ccn2CCC[NH3+])c1 ZINC000574521441 505792119 /nfs/dbraw/zinc/79/21/19/505792119.db2.gz VKUQAOCANQLCHF-UHFFFAOYSA-N 2 0 370.541 3.327 20 0 FGADRP COc1cc(OC)c([C@@H](C)[NH2+]CCCC[NH+]2CCN(C)CC2)cc1Cl ZINC000154424422 495612782 /nfs/dbraw/zinc/61/27/82/495612782.db2.gz QVTYVQBQRVQCBO-OAHLLOKOSA-N 2 0 369.937 3.035 20 0 FGADRP CC[C@H]([NH2+]CCCC[NH+]1CCN(C)CC1)c1ccc(OC(F)F)cc1 ZINC000154423617 495612831 /nfs/dbraw/zinc/61/28/31/495612831.db2.gz OGQKVAWKBKUKCR-SFHVURJKSA-N 2 0 355.473 3.356 20 0 FGADRP O=C([C@H]1CCC[N@@H+]1Cc1ccccc1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000150769828 495628963 /nfs/dbraw/zinc/62/89/63/495628963.db2.gz RRHSYSAYOPYLRA-LEWJYISDSA-N 2 0 355.526 3.128 20 0 FGADRP CN(C)c1cc(Cl)cc(Cl)c1C[NH2+]CCCC[NH+]1CCN(C)CC1 ZINC000580603950 505794617 /nfs/dbraw/zinc/79/46/17/505794617.db2.gz CUGNSMMTAVLIEV-UHFFFAOYSA-N 2 0 373.372 3.177 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](CC(=O)NCc2ccccc2)CC1 ZINC000159069789 495649522 /nfs/dbraw/zinc/64/95/22/495649522.db2.gz YKNDOUXQGKMZFN-LJQANCHMSA-N 2 0 357.542 3.279 20 0 FGADRP C[C@H](CCNC(=O)N1CCC(CCC[NH+](C)C)CC1)[NH+]1CCCCC1 ZINC000182684923 495663337 /nfs/dbraw/zinc/66/33/37/495663337.db2.gz KSBIJXKAQCDJFB-GOSISDBHSA-N 2 0 352.567 3.014 20 0 FGADRP CC[C@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)c1ccc(OC)cc1 ZINC000159157598 495671948 /nfs/dbraw/zinc/67/19/48/495671948.db2.gz ZGFJWJAGFBKUPF-FQEVSTJZSA-N 2 0 354.498 3.083 20 0 FGADRP CC[C@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)c1ccc2c(c1)CCO2 ZINC000159161296 495672332 /nfs/dbraw/zinc/67/23/32/495672332.db2.gz KYGFDAJSYOZNHS-FQEVSTJZSA-N 2 0 366.509 3.009 20 0 FGADRP CC(C)N(CC[NH+](C)C)C(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000159167946 495673753 /nfs/dbraw/zinc/67/37/53/495673753.db2.gz INPMOQRTFKZCEW-WMZOPIPTSA-N 2 0 366.575 3.113 20 0 FGADRP COc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000159194959 495681566 /nfs/dbraw/zinc/68/15/66/495681566.db2.gz AEFFNTTVCAYCGP-OAQYLSRUSA-N 2 0 366.509 3.009 20 0 FGADRP C[C@@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1ccc(F)c(Br)c1 ZINC000150952562 495692418 /nfs/dbraw/zinc/69/24/18/495692418.db2.gz VUTWUEKBLJOABB-CYBMUJFWSA-N 2 0 372.326 3.265 20 0 FGADRP CCC[NH+]1CCC(N(C)C(=O)NCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000171049415 495702278 /nfs/dbraw/zinc/70/22/78/495702278.db2.gz MUJAIFLBBADEEI-QGZVFWFLSA-N 2 0 352.567 3.013 20 0 FGADRP Cc1nc2c(s1)[C@@H]([NH2+]CCN1CC[NH+](Cc3ccccc3)CC1)CCC2 ZINC000159349655 495715303 /nfs/dbraw/zinc/71/53/03/495715303.db2.gz MOSTXYNMTRJUKW-IBGZPJMESA-N 2 0 370.566 3.236 20 0 FGADRP CN(c1ccccc1C[NH2+]CCCNc1ccccn1)C1CC[NH+](C)CC1 ZINC000151095201 495736154 /nfs/dbraw/zinc/73/61/54/495736154.db2.gz KRNLWCFEPOTDJN-UHFFFAOYSA-N 2 0 367.541 3.204 20 0 FGADRP C[C@H](NC(=O)Nc1ccc2c(c1)C[NH2+]C2)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000580630962 505801927 /nfs/dbraw/zinc/80/19/27/505801927.db2.gz QKBJZEMCRZVTHD-LPHOPBHVSA-N 2 0 364.493 3.322 20 0 FGADRP CC(C)[N@H+](C)Cc1ccccc1C[NH2+][C@@H](C)c1ccc(-n2cnnn2)cc1 ZINC000154883463 495761286 /nfs/dbraw/zinc/76/12/86/495761286.db2.gz GBGCRBHVIVPVBJ-KRWDZBQOSA-N 2 0 364.497 3.353 20 0 FGADRP CC[NH+](CC)Cc1cccc(C[NH2+][C@H](Cc2ccc(Cl)cc2)C(N)=O)c1 ZINC000185896684 495770595 /nfs/dbraw/zinc/77/05/95/495770595.db2.gz FPHIVDADZKYZQN-HXUWFJFHSA-N 2 0 373.928 3.368 20 0 FGADRP C[C@H](c1ccc(Br)cc1)[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000182954578 495773372 /nfs/dbraw/zinc/77/33/72/495773372.db2.gz GECJUGPNPOFDGA-OAHLLOKOSA-N 2 0 354.336 3.079 20 0 FGADRP CC(C)C(=O)NCCC[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000183155770 495859168 /nfs/dbraw/zinc/85/91/68/495859168.db2.gz UNJUPVGWFATFQQ-PCCBWWKXSA-N 2 0 357.542 3.039 20 0 FGADRP CC[NH+]1CCN(CCC[NH2+][C@H](c2ccccc2)c2ccc(OC)cc2)CC1 ZINC000180108873 495861341 /nfs/dbraw/zinc/86/13/41/495861341.db2.gz FCYQRVZQIWGTDY-HSZRJFAPSA-N 2 0 367.537 3.402 20 0 FGADRP CC[NH+](CC)C[C@H]1CC[N@H+](CCC(=O)NCc2ccccc2Cl)C1 ZINC000174220130 495869877 /nfs/dbraw/zinc/86/98/77/495869877.db2.gz RJIQDHMBSZSHRO-MRXNPFEDSA-N 2 0 351.922 3.010 20 0 FGADRP O=C(NCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccccc1 ZINC000180133040 495873284 /nfs/dbraw/zinc/87/32/84/495873284.db2.gz UFSKMGRUDUQGGV-FRIKZZABSA-N 2 0 363.505 3.202 20 0 FGADRP COc1ccc(C[NH2+][C@H](C)c2ccc(OCC[NH+](C)C)cc2)cc1OC ZINC000151569331 495882437 /nfs/dbraw/zinc/88/24/37/495882437.db2.gz QHLZZCFMZBJXRV-MRXNPFEDSA-N 2 0 358.482 3.495 20 0 FGADRP C[NH+](C)Cc1c2ccccc2oc1C(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000186178096 495886184 /nfs/dbraw/zinc/88/61/84/495886184.db2.gz CAGYRWQTWSEIHQ-UHFFFAOYSA-N 2 0 357.498 3.346 20 0 FGADRP C[C@H]([NH2+]CCCN1CCC[C@@H]1C(=O)N(C)C)c1cccc(C(F)(F)F)c1 ZINC000155333376 495922686 /nfs/dbraw/zinc/92/26/86/495922686.db2.gz MLKAXMAPSWUCKA-WMLDXEAASA-N 2 0 371.447 3.299 20 0 FGADRP CC(C)n1cc([C@H](C)[NH2+]CCCN2CC[N@H+](C)C[C@@H]2c2ccccc2)cn1 ZINC000151903351 495986605 /nfs/dbraw/zinc/98/66/05/495986605.db2.gz ZZJZGTAUJHMFDN-SIKLNZKXSA-N 2 0 369.557 3.493 20 0 FGADRP C[C@H](C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cc1)[NH+]1CCCCCC1 ZINC000180421034 495990177 /nfs/dbraw/zinc/99/01/77/495990177.db2.gz QSPRTAOFCMYQIU-GOSISDBHSA-N 2 0 372.557 3.420 20 0 FGADRP CC[C@@H]([NH2+]C[C@@H](C)N1CC[NH+](CC)CC1)c1cc(Cl)ccc1OC ZINC000155593784 496006491 /nfs/dbraw/zinc/00/64/91/496006491.db2.gz KDNOHESRHFOWSU-CRAIPNDOSA-N 2 0 353.938 3.415 20 0 FGADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H](C)c2ccccc2Br)CC1 ZINC000155603579 496010020 /nfs/dbraw/zinc/01/00/20/496010020.db2.gz SZBWXFQVZHFINU-LSDHHAIUSA-N 2 0 354.336 3.126 20 0 FGADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C1CCN(C(=O)NC2CCCCC2)CC1 ZINC000574629973 505819403 /nfs/dbraw/zinc/81/94/03/505819403.db2.gz JYVQUOLCQYVZGC-YLJYHZDGSA-N 2 0 364.578 3.394 20 0 FGADRP CC[C@@H]([NH2+][C@@H](C)CCN1CC[NH+](C)CC1)c1ccccc1OC(F)F ZINC000186587804 496059549 /nfs/dbraw/zinc/05/95/49/496059549.db2.gz AFZCMKQIBNBPTB-DOTOQJQBSA-N 2 0 355.473 3.355 20 0 FGADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H]1CCc2ccc(OC(F)(F)F)cc21 ZINC000186591255 496060305 /nfs/dbraw/zinc/06/03/05/496060305.db2.gz BUDUFSBDYSXDLK-KBXCAEBGSA-N 2 0 371.447 3.188 20 0 FGADRP C[C@@H]1CCN(Cc2cnc3ccc(Br)cn23)C[C@@H]1n1ccnc1 ZINC000180608072 496065922 /nfs/dbraw/zinc/06/59/22/496065922.db2.gz YLRNVIFFXXHIEU-CJNGLKHVSA-N 2 0 374.286 3.376 20 0 FGADRP CN(CCC[NH+]1CCN(C)CC1)Cc1ncc(-c2ccccc2Cl)o1 ZINC000174720502 496075717 /nfs/dbraw/zinc/07/57/17/496075717.db2.gz FHJMIWCQZHRSGC-UHFFFAOYSA-N 2 0 362.905 3.064 20 0 FGADRP C[NH+](C)Cc1cccc(C(=O)N2CCC[N@H+](CC3CCCCC3)CC2)c1 ZINC000155876698 496094737 /nfs/dbraw/zinc/09/47/37/496094737.db2.gz MCQVBHHRMDTGEE-UHFFFAOYSA-N 2 0 357.542 3.476 20 0 FGADRP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000568987276 505824198 /nfs/dbraw/zinc/82/41/98/505824198.db2.gz VDDCOYJHRDDPFF-IBGZPJMESA-N 2 0 371.569 3.477 20 0 FGADRP C[C@@H]1C[C@H](N(C)C(=O)CCC2CC[NH2+]CC2)CC[N@@H+]1Cc1ccccc1 ZINC000155985002 496124981 /nfs/dbraw/zinc/12/49/81/496124981.db2.gz XEOFXNLOWHFYKB-WIYYLYMNSA-N 2 0 357.542 3.278 20 0 FGADRP O=C(c1ccc(Cl)cc1)N1CCC([NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000152456051 496157240 /nfs/dbraw/zinc/15/72/40/496157240.db2.gz RSLOLIGETOVTAL-HNNXBMFYSA-N 2 0 361.917 3.019 20 0 FGADRP C[NH+](C)CC[C@@H](NC(=O)NCc1ccccc1C[NH+]1CCCC1)C(C)(C)C ZINC000172109729 496168354 /nfs/dbraw/zinc/16/83/54/496168354.db2.gz UELIVHXSTVRBTQ-HXUWFJFHSA-N 2 0 374.573 3.448 20 0 FGADRP CCC[N@H+](C)C[C@H]1CCN([C@@H](C)C(=O)Nc2ccc(N3CCCC3)cc2)C1 ZINC000174943114 496174931 /nfs/dbraw/zinc/17/49/31/496174931.db2.gz YDHVPAXPQGZZKZ-RBUKOAKNSA-N 2 0 372.557 3.278 20 0 FGADRP CN(CC[N@H+](C)CCOc1ccc(C(F)(F)F)cc1)C1CC[NH+](C)CC1 ZINC000180927513 496203837 /nfs/dbraw/zinc/20/38/37/496203837.db2.gz QGGKPWXVUVXEBP-UHFFFAOYSA-N 2 0 373.463 3.042 20 0 FGADRP CN(C(=O)NCCC[NH+]1CCCCC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000172240594 496222725 /nfs/dbraw/zinc/22/27/25/496222725.db2.gz UIMQXJSZPTWWGP-UHFFFAOYSA-N 2 0 372.557 3.168 20 0 FGADRP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+]1CCCC2(CC2)C1 ZINC000186951922 496226333 /nfs/dbraw/zinc/22/63/33/496226333.db2.gz QVFKVUYJGQKZBI-GOSISDBHSA-N 2 0 355.526 3.032 20 0 FGADRP O=C(CCC1CC[NH2+]CC1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000574689501 505832376 /nfs/dbraw/zinc/83/23/76/505832376.db2.gz KBHWABLHBSJDLN-FCHUYYIVSA-N 2 0 369.553 3.279 20 0 FGADRP CC1CC[NH+](C2CCC(NC(=O)N(C)[C@@H]3CC[N@H+](C)C[C@@H]3C)CC2)CC1 ZINC000152756554 496247774 /nfs/dbraw/zinc/24/77/74/496247774.db2.gz INKQQJSJXVOLSY-DCCYDQLOSA-N 2 0 364.578 3.011 20 0 FGADRP CCOc1ccc(C[NH2+][C@@H]2CC[N@H+](C[C@@H]3CCCO3)C[C@@H]2C)cc1F ZINC000152801604 496259980 /nfs/dbraw/zinc/25/99/80/496259980.db2.gz AGKXGUCFPVMEGX-VDZJLULYSA-N 2 0 350.478 3.203 20 0 FGADRP C[C@@H]([NH3+])C1CCN(C(=O)NCc2ccccc2C[NH+]2CCC(C)CC2)CC1 ZINC000580764264 505833340 /nfs/dbraw/zinc/83/33/40/505833340.db2.gz QJAMBKDAMVUSBB-GOSISDBHSA-N 2 0 372.557 3.187 20 0 FGADRP COc1ccc(OC)c([C@H](C)[NH2+]C2CCN(CCc3ccncc3)CC2)c1 ZINC000152818162 496265344 /nfs/dbraw/zinc/26/53/44/496265344.db2.gz QWCWBAJOUPBEKQ-KRWDZBQOSA-N 2 0 369.509 3.457 20 0 FGADRP CC[C@H]([NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc2c(c1)OCCO2 ZINC000178035752 496298129 /nfs/dbraw/zinc/29/81/29/496298129.db2.gz WUJUXJUFSNITIL-SCTDSRPQSA-N 2 0 362.514 3.388 20 0 FGADRP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H](C)c3ccc(F)c(OC)c3)cn2)CC1 ZINC000152965430 496309812 /nfs/dbraw/zinc/30/98/12/496309812.db2.gz VLFOPNOLDCHFFY-INIZCTEOSA-N 2 0 372.488 3.222 20 0 FGADRP C[NH+](C)[C@H](CNC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1)c1cccs1 ZINC000172506990 496321449 /nfs/dbraw/zinc/32/14/49/496321449.db2.gz URCCXQVLTCPMAV-IAGOWNOFSA-N 2 0 364.559 3.011 20 0 FGADRP CCCc1cccc(C[NH2+]Cc2cccc(C(=O)NCC[NH+](C)C)c2)c1 ZINC000187193847 496333367 /nfs/dbraw/zinc/33/33/67/496333367.db2.gz KHFAHZZDMAYSBQ-UHFFFAOYSA-N 2 0 353.510 3.220 20 0 FGADRP C[C@@H](Cn1cc(Br)cn1)[NH2+]C1CC[NH+](CC2CCCC2)CC1 ZINC000178159050 496350748 /nfs/dbraw/zinc/35/07/48/496350748.db2.gz PCRMBRLGLDYKST-AWEZNQCLSA-N 2 0 369.351 3.278 20 0 FGADRP C[C@@H](Cc1ccsc1)[NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000156889420 496356643 /nfs/dbraw/zinc/35/66/43/496356643.db2.gz KGUHHKJYZAXXEI-JXFKEZNVSA-N 2 0 371.550 3.166 20 0 FGADRP Cc1c([C@@H](C)[NH2+]CCCN2CC[NH+](C)CC2)cnn1-c1cc(C)ccc1C ZINC000162486652 496361105 /nfs/dbraw/zinc/36/11/05/496361105.db2.gz JTSWKFWTQIQJHM-LJQANCHMSA-N 2 0 369.557 3.086 20 0 FGADRP C[C@@H]([NH2+][C@@H](C)c1ccccc1)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000181348983 496363186 /nfs/dbraw/zinc/36/31/86/496363186.db2.gz XVGIDGCSTIRONA-WAOWUJCRSA-N 2 0 351.494 3.116 20 0 FGADRP CC(=O)c1oc2ccccc2c1NC(=O)[C@H](C)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000578013466 505841571 /nfs/dbraw/zinc/84/15/71/505841571.db2.gz QOIDTCGWKWSBGW-GUDXXQAFSA-N 2 0 369.465 3.022 20 0 FGADRP C[N@@H+]1CCC[C@@H]2C[NH+](C[C@H](O)COc3cc(Cl)ccc3Cl)CC[C@@H]21 ZINC000162807165 496415762 /nfs/dbraw/zinc/41/57/62/496415762.db2.gz SGXUIDXCGBKIAF-KMFMINBZSA-N 2 0 373.324 3.149 20 0 FGADRP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N(C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000187479028 496458016 /nfs/dbraw/zinc/45/80/16/496458016.db2.gz SKEMTKJDIKWQNS-NRSPTQNISA-N 2 0 374.573 3.267 20 0 FGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NCCC[NH+]2CCCC2)CC1 ZINC000181636574 496480141 /nfs/dbraw/zinc/48/01/41/496480141.db2.gz FKOGOLBOMUVDGL-SFHVURJKSA-N 2 0 362.537 3.104 20 0 FGADRP CC[N@H+](C)[C@H](C(=O)N[C@@H](C)[C@@H]1CCC[NH+](C2CCC2)C1)c1ccccc1 ZINC000181674978 496498231 /nfs/dbraw/zinc/49/82/31/496498231.db2.gz QEYZKFXXAQITJZ-DSKINZAPSA-N 2 0 357.542 3.449 20 0 FGADRP CC[C@@H]([NH2+][C@H](C)CN1CC[NH+](C)CC1)c1cc(F)cc(Br)c1 ZINC000181721122 496518195 /nfs/dbraw/zinc/51/81/95/496518195.db2.gz XZNVITVEIMOHEB-CXAGYDPISA-N 2 0 372.326 3.265 20 0 FGADRP C[C@H](NC(=O)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1)C(C)(C)C[NH+](C)C ZINC000173056069 496535767 /nfs/dbraw/zinc/53/57/67/496535767.db2.gz RARLHVRUCOGHCB-WMZOPIPTSA-N 2 0 363.521 3.130 20 0 FGADRP C[C@@H](C(=O)NCC1CC[NH+](Cc2ccccc2)CC1)[C@H]([NH3+])c1ccccc1 ZINC000178731433 496554397 /nfs/dbraw/zinc/55/43/97/496554397.db2.gz BRVHRRXXUOVGTL-GCJKJVERSA-N 2 0 365.521 3.351 20 0 FGADRP [NH3+]C[C@H](C(=O)NCc1ccccc1C[NH+]1CCCCCC1)c1ccccc1 ZINC000178746042 496559446 /nfs/dbraw/zinc/55/94/46/496559446.db2.gz AXHVFABCBNGHCQ-QFIPXVFZSA-N 2 0 365.521 3.421 20 0 FGADRP C[C@@H](CC(=O)NCc1ccccc1C[NH+]1CCCCC1)[C@H]1CCC[NH2+]C1 ZINC000163889711 496566768 /nfs/dbraw/zinc/56/67/68/496566768.db2.gz FZUFILKETBSLOY-OALUTQOASA-N 2 0 357.542 3.315 20 0 FGADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H](C)c1ccc(OC)cc1Br ZINC000181874851 496581440 /nfs/dbraw/zinc/58/14/40/496581440.db2.gz MLGUMPAIIPTBFF-DZGCQCFKSA-N 2 0 373.335 3.465 20 0 FGADRP CC[NH+](CC)CCOc1ccc(NC(=O)C[C@H](C)[C@@H]2CCC[NH2+]C2)cc1 ZINC000164304999 496603244 /nfs/dbraw/zinc/60/32/44/496603244.db2.gz PEKDDUIKPCKEIO-ZWKOTPCHSA-N 2 0 361.530 3.372 20 0 FGADRP CC[NH+](CC)CCOc1ccccc1NC(=O)C[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000164322957 496604195 /nfs/dbraw/zinc/60/41/95/496604195.db2.gz DIPICVUBOZPPRE-MSOLQXFVSA-N 2 0 361.530 3.372 20 0 FGADRP CC[N@H+](C)Cc1cccc(CNC(=O)NCC[C@H](C)[NH+]2CCCCC2)c1 ZINC000184985937 496611661 /nfs/dbraw/zinc/61/16/61/496611661.db2.gz ULFUGNHZZVMAAR-SFHVURJKSA-N 2 0 360.546 3.202 20 0 FGADRP COC[C@H]([NH2+]Cc1cccc(C[NH+]2CCC(C)CC2)c1)C1CCOCC1 ZINC000187965480 496634607 /nfs/dbraw/zinc/63/46/07/496634607.db2.gz OURMVZUYGIHXMV-QFIPXVFZSA-N 2 0 360.542 3.450 20 0 FGADRP COc1ccc2c(c1)[C@H]([NH2+]CCCN1CCC[N@H+](C)CC1)CCCS2 ZINC000187967978 496635219 /nfs/dbraw/zinc/63/52/19/496635219.db2.gz ZBZNHJNVZDNPHZ-LJQANCHMSA-N 2 0 363.571 3.239 20 0 FGADRP O=C(NC1CC[NH+](C2CCCC2)CC1)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000176022090 496647148 /nfs/dbraw/zinc/64/71/48/496647148.db2.gz XSUHXKHFIWKORH-FQEVSTJZSA-N 2 0 362.562 3.053 20 0 FGADRP COc1ccc([C@H](C)[NH2+]CCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1OC ZINC000173359944 496658133 /nfs/dbraw/zinc/65/81/33/496658133.db2.gz MWELCNNOCPCGFV-BBWFWOEESA-N 2 0 350.503 3.244 20 0 FGADRP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)c3coc(C[NH3+])c3)cc2)C1 ZINC000188068299 496669695 /nfs/dbraw/zinc/66/96/95/496669695.db2.gz YYVVZKFOFUNMPC-HZPDHXFCSA-N 2 0 355.482 3.146 20 0 FGADRP COc1ccc(Cl)cc1C1(C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)CCOCC1 ZINC000154067608 496672777 /nfs/dbraw/zinc/67/27/77/496672777.db2.gz FAVWRAXRJDCPAT-RDJZCZTQSA-N 2 0 366.933 3.469 20 0 FGADRP O=C(Nc1ccc(CC[NH+]2CCCC2)cc1)c1cccn1C1CC[NH2+]CC1 ZINC000165923772 496672968 /nfs/dbraw/zinc/67/29/68/496672968.db2.gz FNUDDKHHMLJUEA-UHFFFAOYSA-N 2 0 366.509 3.303 20 0 FGADRP C[C@@H]([NH2+]Cc1ccc(CN2CC[NH+](C)CC2)cc1)c1ccc(Cl)nc1 ZINC000179109771 496679045 /nfs/dbraw/zinc/67/90/45/496679045.db2.gz BKGRNUSCUYUXCY-MRXNPFEDSA-N 2 0 358.917 3.333 20 0 FGADRP CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+]Cc1cccnc1N1CC[NH+](C)CC1 ZINC000158486474 496712417 /nfs/dbraw/zinc/71/24/17/496712417.db2.gz ZJEQJNWIRWJEOF-OAQYLSRUSA-N 2 0 370.516 3.329 20 0 FGADRP CC1CC[NH+](Cc2ccccc2CNC(=O)N(C)CCC[NH+](C)C)CC1 ZINC000185319454 496728581 /nfs/dbraw/zinc/72/85/81/496728581.db2.gz RIZWJUMVZQPVDF-UHFFFAOYSA-N 2 0 360.546 3.012 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+][C@H]2CCN(Cc3ccccn3)C[C@H]2C)C1 ZINC000247059860 496767241 /nfs/dbraw/zinc/76/72/41/496767241.db2.gz NSUJBXLGGBIWBB-DYQZNNLLSA-N 2 0 358.574 3.250 20 0 FGADRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@H](C)c1ccc(S(C)(=O)=O)c(OC)c1 ZINC000268727364 496767582 /nfs/dbraw/zinc/76/75/82/496767582.db2.gz KJRJDRIOUOAUMY-HZPDHXFCSA-N 2 0 370.559 3.260 20 0 FGADRP C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(CC(=O)N2CCc3ccccc3C2)C1 ZINC000247080670 496773688 /nfs/dbraw/zinc/77/36/88/496773688.db2.gz VQVXWPQWEUEPFY-PMACEKPBSA-N 2 0 369.553 3.158 20 0 FGADRP CCOc1ccc([C@H](CC)[NH2+]CCCN2CC[NH+](C)CC2)cc1OCC ZINC000268752849 496775108 /nfs/dbraw/zinc/77/51/08/496775108.db2.gz WEDPSERACFHZPE-IBGZPJMESA-N 2 0 363.546 3.162 20 0 FGADRP CN(c1ccccc1CN1CCC[C@@H]([NH+](C)C)CC1)C1CC[NH+](C)CC1 ZINC000277551871 496809007 /nfs/dbraw/zinc/80/90/07/496809007.db2.gz RBAWAYINHIOOMD-HXUWFJFHSA-N 2 0 358.574 3.133 20 0 FGADRP Cc1ccccc1CN(C)C(=O)[C@H](C)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000247233960 496811849 /nfs/dbraw/zinc/81/18/49/496811849.db2.gz YSWSSRCNEJLGBJ-PZJWPPBQSA-N 2 0 357.542 3.292 20 0 FGADRP Cc1ccccc1C[C@H](CO)[NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000191574884 496818632 /nfs/dbraw/zinc/81/86/32/496818632.db2.gz RPRFUHHTOGGPCY-GHTZIAJQSA-N 2 0 356.510 3.190 20 0 FGADRP CC(=O)Nc1cccc([C@@H](C)[NH2+]CCc2ccc(OCC[NH+](C)C)cc2)c1 ZINC000268916312 496822800 /nfs/dbraw/zinc/82/28/00/496822800.db2.gz VKPRISPXVXGSAM-QGZVFWFLSA-N 2 0 369.509 3.479 20 0 FGADRP COc1cc([C@@H](C)[NH2+]CCCC[N@@H+]2CCC[C@H]2CO)ccc1SC ZINC000268924520 496825125 /nfs/dbraw/zinc/82/51/25/496825125.db2.gz PMKDORPTRLEFFK-WBVHZDCISA-N 2 0 352.544 3.305 20 0 FGADRP C[NH+]1CCC(O)(C[NH2+][C@H]2CCCOc3c(Cl)c(Cl)ccc32)CC1 ZINC000268959482 496836221 /nfs/dbraw/zinc/83/62/21/496836221.db2.gz FIQKALSRSXPJPS-AWEZNQCLSA-N 2 0 359.297 3.253 20 0 FGADRP C[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1)c1cccc(F)c1 ZINC000247382669 496848515 /nfs/dbraw/zinc/84/85/15/496848515.db2.gz FQFIRSPCZKVCGR-OXQOHEQNSA-N 2 0 369.484 3.374 20 0 FGADRP Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@@H]2[NH2+]CCCC[NH+](C)C)cc1 ZINC000273615838 496854205 /nfs/dbraw/zinc/85/42/05/496854205.db2.gz XJSUAHXKVNSTLW-RBUKOAKNSA-N 2 0 352.544 3.011 20 0 FGADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H](C)c1ccc(OC(F)F)c(OC)c1 ZINC000269075186 496865246 /nfs/dbraw/zinc/86/52/46/496865246.db2.gz NJUIHNNAFJVYGT-HIFRSBDPSA-N 2 0 360.445 3.304 20 0 FGADRP Cc1cccc(OC[C@@H](O)C[N@@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)c1 ZINC000247535353 496881702 /nfs/dbraw/zinc/88/17/02/496881702.db2.gz OPBIWDFXXUNCRQ-YADHBBJMSA-N 2 0 368.521 3.189 20 0 FGADRP Cc1nn(C)c2ncc(CN3CCC[C@H](C[NH+]4CCC(C)CC4)C3)cc12 ZINC000195433087 496921295 /nfs/dbraw/zinc/92/12/95/496921295.db2.gz DDCXJJHKZDYYCJ-GOSISDBHSA-N 2 0 355.530 3.221 20 0 FGADRP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(C[NH2+][C@H]3CCC[C@@H](C4CC4)C3)c2)C1 ZINC000247981241 496937904 /nfs/dbraw/zinc/93/79/04/496937904.db2.gz IIVOKDYYIHRJHV-VSKRKVRLSA-N 2 0 369.553 3.442 20 0 FGADRP C[N@@H+]1CCC[C@@H]2C[NH+](C[C@H](O)COc3ccc(C(C)(C)C)cc3)CC[C@@H]21 ZINC000248043581 496948168 /nfs/dbraw/zinc/94/81/68/496948168.db2.gz UJSBPJQXZPIVSN-LMNJBCLMSA-N 2 0 360.542 3.140 20 0 FGADRP [NH3+]C[C@@H]1C[N@H+](Cc2cccc(OCc3ccccc3)c2)CC12CCOCC2 ZINC000580952694 505876125 /nfs/dbraw/zinc/87/61/25/505876125.db2.gz PVWCABREJQVZCE-OAQYLSRUSA-N 2 0 366.505 3.453 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)[C@H]2CCC[NH+]2Cc2ccccc2)C1 ZINC000248134237 496960410 /nfs/dbraw/zinc/96/04/10/496960410.db2.gz ZUHKHAMFPNJSNU-SVFBPWRDSA-N 2 0 357.542 3.135 20 0 FGADRP Cc1ccc([C@@H](CNC(=O)N[C@H](C)C[NH+]2CCCCC2)[NH+]2CCCC2)cc1 ZINC000195746438 496964094 /nfs/dbraw/zinc/96/40/94/496964094.db2.gz AQEIPXCERJYYFD-TZIWHRDSSA-N 2 0 372.557 3.306 20 0 FGADRP c1[nH]nc2c1C[C@@H]([NH2+][C@H]1CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]31)CC2 ZINC000248410869 497001436 /nfs/dbraw/zinc/00/14/36/497001436.db2.gz YPCYKCWHVFPUCA-UTYWTXRGSA-N 2 0 350.510 3.157 20 0 FGADRP CC[NH+]1CCN(CCC[NH2+]Cc2ccc(Br)c(Cl)c2)CC1 ZINC000192165871 497020605 /nfs/dbraw/zinc/02/06/05/497020605.db2.gz ANWFBFUVYAJZGD-UHFFFAOYSA-N 2 0 374.754 3.220 20 0 FGADRP C[C@@H]1C[NH+](CCC2CC[NH+](C[C@@H](O)CCc3ccccc3)CC2)C[C@@H](C)O1 ZINC000248562913 497041332 /nfs/dbraw/zinc/04/13/32/497041332.db2.gz JZLOWUMBJZQOAY-VIZSFHNOSA-N 2 0 374.569 3.191 20 0 FGADRP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH2+][C@@H]4[C@@H]5CCO[C@H]5C45CCC5)[C@@H]3C2)cc1 ZINC000248722702 497088197 /nfs/dbraw/zinc/08/81/97/497088197.db2.gz MJQPIFTUYSZUNZ-ZOJFBHTKSA-N 2 0 352.522 3.444 20 0 FGADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)N2CC[NH+](C3CCCC3)CC2)C1 ZINC000227374077 497089729 /nfs/dbraw/zinc/08/97/29/497089729.db2.gz SYNVGQQPYSYJIE-AZUAARDMSA-N 2 0 370.541 3.092 20 0 FGADRP C[NH+](C)CCNC(=O)c1ccc(C[NH2+]Cc2ccc(Cl)cc2F)cc1 ZINC000189350248 497091398 /nfs/dbraw/zinc/09/13/98/497091398.db2.gz JKXHBQXBDWARGR-UHFFFAOYSA-N 2 0 363.864 3.060 20 0 FGADRP COc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CN(CC(C)C)CCO1)CCS2 ZINC000248835975 497114419 /nfs/dbraw/zinc/11/44/19/497114419.db2.gz MIVANMHWVJZXIV-WMZOPIPTSA-N 2 0 350.528 3.179 20 0 FGADRP CC1CC[NH+](Cc2ccccc2CNC(=O)[C@@H]([NH3+])c2ccccc2)CC1 ZINC000236630228 497123268 /nfs/dbraw/zinc/12/32/68/497123268.db2.gz MLUMVDJFOGIRBV-NRFANRHFSA-N 2 0 351.494 3.235 20 0 FGADRP CC1CC[NH+]([C@H](CNC(=O)[C@H]([NH3+])Cc2ccccc2)c2cccs2)CC1 ZINC000236661261 497128794 /nfs/dbraw/zinc/12/87/94/497128794.db2.gz ANLCWFTXGJZGPW-RTBURBONSA-N 2 0 371.550 3.207 20 0 FGADRP COc1sc(C[NH2+]CC2CC[NH+](C3CC3)CC2)cc1Br ZINC000278522422 497141933 /nfs/dbraw/zinc/14/19/33/497141933.db2.gz SHRORZORWRYWMQ-UHFFFAOYSA-N 2 0 359.333 3.483 20 0 FGADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](CCSCc2ccccc2)CC1 ZINC000192561376 497149705 /nfs/dbraw/zinc/14/97/05/497149705.db2.gz HOUBTNCSAJFTEI-BGYRXZFFSA-N 2 0 361.599 3.410 20 0 FGADRP C[C@H]1C[C@H](N(C)C(=O)C2CC[NH+](C3CC3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000192582434 497156946 /nfs/dbraw/zinc/15/69/46/497156946.db2.gz KSKLUITWIFSOGF-PGRDOPGGSA-N 2 0 369.553 3.372 20 0 FGADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)C[C@H]1C ZINC000249099444 497166336 /nfs/dbraw/zinc/16/63/36/497166336.db2.gz NHYWMCGDHYYZFI-BVOGOJNSSA-N 2 0 358.526 3.466 20 0 FGADRP CC[NH+](CC)Cc1ccc(CNC(=O)[C@@H](C)[C@@H]([NH3+])c2ccccc2)cc1 ZINC000236917736 497168343 /nfs/dbraw/zinc/16/83/43/497168343.db2.gz AGPCRSQFBNTKQG-LAUBAEHRSA-N 2 0 353.510 3.481 20 0 FGADRP C[NH+]1CCN(Cc2ccc(C[NH2+][C@H]3CCCNc4ccccc43)cc2)CC1 ZINC000192705881 497189932 /nfs/dbraw/zinc/18/99/32/497189932.db2.gz SHWDABFBXAVPPO-QHCPKHFHSA-N 2 0 364.537 3.471 20 0 FGADRP O[C@@H]1CC[N@H+](Cc2ccccc2C[NH2+][C@@H]2CCC[C@@H](C(F)(F)F)C2)C1 ZINC000249393341 497197589 /nfs/dbraw/zinc/19/75/89/497197589.db2.gz SCLRCRBVANOLMM-KZNAEPCWSA-N 2 0 356.432 3.464 20 0 FGADRP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCC([C@@H]2NC(=O)C2(C)C)CC1 ZINC000578206129 505887152 /nfs/dbraw/zinc/88/71/52/505887152.db2.gz IEBGXURRFDRYBE-FQEVSTJZSA-N 2 0 371.569 3.381 20 0 FGADRP COc1cccc([C@H](CNC(=O)C[C@H]([NH3+])c2ccccc2)[NH+]2CCCC2)c1 ZINC000237313030 497217847 /nfs/dbraw/zinc/21/78/47/497217847.db2.gz BANIWTOSCXOPLI-SFTDATJTSA-N 2 0 367.493 3.038 20 0 FGADRP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[C@@H]([NH3+])c1ccccc1 ZINC000237427094 497235977 /nfs/dbraw/zinc/23/59/77/497235977.db2.gz ANRVFWHFLAUPDT-LAUBAEHRSA-N 2 0 351.494 3.103 20 0 FGADRP C[C@H](C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)[C@@H]([NH3+])c1ccccc1 ZINC000237460342 497239880 /nfs/dbraw/zinc/23/98/80/497239880.db2.gz RLGVHIYXIWBGPU-IOMROCGXSA-N 2 0 351.494 3.103 20 0 FGADRP C[NH+]1CCC(C[NH2+][C@@H]2CCCNc3ccccc32)(N2CCCCC2)CC1 ZINC000192906812 497243025 /nfs/dbraw/zinc/24/30/25/497243025.db2.gz MDVXHJFUKUXJTH-OAQYLSRUSA-N 2 0 356.558 3.473 20 0 FGADRP C[C@H](CC(=O)N1CCCCCC1)[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000192927571 497248445 /nfs/dbraw/zinc/24/84/45/497248445.db2.gz RNQKNHWVPLQKAX-TZIWHRDSSA-N 2 0 357.542 3.279 20 0 FGADRP CC[N@H+](Cc1ccc(C(=O)N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc1)C(C)C ZINC000572117392 505894362 /nfs/dbraw/zinc/89/43/62/505894362.db2.gz HPXRXBAAPUHKRO-NHCUHLMSSA-N 2 0 357.542 3.379 20 0 FGADRP C[C@@H](C(=O)NCC(C)(C)[N@@H+]1CCc2ccccc2C1)[C@@H]([NH3+])c1ccccc1 ZINC000237602882 497262431 /nfs/dbraw/zinc/26/24/31/497262431.db2.gz UNQGDWOERATGLM-DYESRHJHSA-N 2 0 365.521 3.276 20 0 FGADRP C[C@H](CC(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1)[C@@H]1CCC[NH2+]C1 ZINC000237649975 497268779 /nfs/dbraw/zinc/26/87/79/497268779.db2.gz UWVZAEZGDKLESQ-WWNBULGVSA-N 2 0 363.571 3.273 20 0 FGADRP C[C@H](CNC(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1)C[NH+]1CCCC1 ZINC000252441524 497298794 /nfs/dbraw/zinc/29/87/94/497298794.db2.gz NHDDEAUYBFXYCZ-VAMGGRTRSA-N 2 0 364.578 3.014 20 0 FGADRP c1cn(-c2ccccc2)nc1CC[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000572147882 505901053 /nfs/dbraw/zinc/90/10/53/505901053.db2.gz YAPJDRIXCBMUMF-JTHBVZDNSA-N 2 0 374.488 3.260 20 0 FGADRP C[NH+](C)CCC1CCN(C(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000275438230 497326041 /nfs/dbraw/zinc/32/60/41/497326041.db2.gz FPAGSRDRNCUVNE-UHFFFAOYSA-N 2 0 371.569 3.479 20 0 FGADRP COCc1cc([C@H](C)[NH2+]Cc2ccnc(OCC[NH+](C)C)c2)ccc1OC ZINC000271430004 497347080 /nfs/dbraw/zinc/34/70/80/497347080.db2.gz DCMHXFCUWUQCJE-INIZCTEOSA-N 2 0 373.497 3.028 20 0 FGADRP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1ccc(-n2cccn2)cc1 ZINC000271432815 497348237 /nfs/dbraw/zinc/34/82/37/497348237.db2.gz BHMGEFXDALHTHJ-HSQYWUDLSA-N 2 0 368.525 3.291 20 0 FGADRP COc1cc2c(cc1C[NH2+]CC1CCN(c3cc[nH+]cc3)CC1)O[C@H](C)C2 ZINC000569308082 505902933 /nfs/dbraw/zinc/90/29/33/505902933.db2.gz IDZBVXKKWOULHW-MRXNPFEDSA-N 2 0 367.493 3.420 20 0 FGADRP C[NH+](C)CCC1CC[NH+](Cc2cc3c(cc2Br)OCO3)CC1 ZINC000193434482 497378921 /nfs/dbraw/zinc/37/89/21/497378921.db2.gz TWOVXZAAHCQEFQ-UHFFFAOYSA-N 2 0 369.303 3.342 20 0 FGADRP CCC[N@H+](C)C[C@@H]1CCN([C@H](C)C(=O)N2CCC[C@H]2c2cccs2)C1 ZINC000245433793 497404284 /nfs/dbraw/zinc/40/42/84/497404284.db2.gz PJXNPTGPNAHFBX-SQNIBIBYSA-N 2 0 363.571 3.464 20 0 FGADRP O=C(C[N@@H+]1CCC[C@@H]2CCC[C@H]21)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000245454469 497415757 /nfs/dbraw/zinc/41/57/57/497415757.db2.gz SAIYCMKDUDJYGW-AZUAARDMSA-N 2 0 373.566 3.438 20 0 FGADRP CC[N@H+](Cc1ccc(C(=O)N(CC[NH3+])CCc2ccccc2)cc1)C1CC1 ZINC000261815883 497456815 /nfs/dbraw/zinc/45/68/15/497456815.db2.gz XHVDGWXDWIJCFO-UHFFFAOYSA-N 2 0 365.521 3.315 20 0 FGADRP C[NH+](C)CCOc1ccc(CC[NH2+][C@H](c2ncc[nH]2)c2ccccc2)cc1 ZINC000275941476 497467521 /nfs/dbraw/zinc/46/75/21/497467521.db2.gz ZDNZAEPXLUYRCF-NRFANRHFSA-N 2 0 364.493 3.272 20 0 FGADRP C[NH+]1CCN(c2ncccc2C[NH2+][C@@H](c2ccc(F)cc2)C2CC2)CC1 ZINC000271863330 497473561 /nfs/dbraw/zinc/47/35/61/497473561.db2.gz OQARUYUEPWFKFV-HXUWFJFHSA-N 2 0 354.473 3.213 20 0 FGADRP C[C@H](c1ccc2ccccc2c1)[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000261934861 497478685 /nfs/dbraw/zinc/47/86/85/497478685.db2.gz WQRJGLUOWDDLCU-HMFYCAOWSA-N 2 0 365.521 3.481 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)[C@H]2CC23CC[NH2+]CC3)cc1 ZINC000261960558 497483367 /nfs/dbraw/zinc/48/33/67/497483367.db2.gz RTCSPBHOJPFWLJ-YLJYHZDGSA-N 2 0 355.526 3.067 20 0 FGADRP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+]CCCOC[C@@H]2CCCO2)C3)cc1 ZINC000245650373 497488297 /nfs/dbraw/zinc/48/82/97/497488297.db2.gz CIJIRKCQZYAJNI-KJJMTIBFSA-N 2 0 358.526 3.357 20 0 FGADRP FC(F)(F)c1ccc(C[N@@H+]2CCCN(C[C@H]3CCC[NH2+]C3)CC2)cc1 ZINC000262003773 497491647 /nfs/dbraw/zinc/49/16/47/497491647.db2.gz UJZWAEHOTHYWMP-KRWDZBQOSA-N 2 0 355.448 3.213 20 0 FGADRP CCC[N@H+](CC)C[C@H](C)NC(=O)N[C@@H](C)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000581105154 505910218 /nfs/dbraw/zinc/91/02/18/505910218.db2.gz OHFQOXMKFDYCAN-ZJOUEHCJSA-N 2 0 374.573 3.317 20 0 FGADRP C[NH2+]CCC1CC[NH+]([C@H](C)C(=O)N[C@H](C)c2cc3ccccc3o2)CC1 ZINC000262019495 497494469 /nfs/dbraw/zinc/49/44/69/497494469.db2.gz XFIYOGLLBGARON-HZPDHXFCSA-N 2 0 357.498 3.320 20 0 FGADRP Cc1cnccc1OC1CCN(c2cc(C(C)C)nc(N(C)C)n2)CC1 ZINC000578307521 505910555 /nfs/dbraw/zinc/91/05/55/505910555.db2.gz KXZISNCWEZZXPK-UHFFFAOYSA-N 2 0 355.486 3.417 20 0 FGADRP CC[C@H](c1ccc(Cl)cc1)[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000262117915 497510731 /nfs/dbraw/zinc/51/07/31/497510731.db2.gz BRWAOLHPEJPGAE-ATZDWAIDSA-N 2 0 363.933 3.371 20 0 FGADRP C[NH+]1CCN(CCC[NH2+][C@@H](c2ccc(Br)s2)C2CC2)CC1 ZINC000190574253 497533104 /nfs/dbraw/zinc/53/31/04/497533104.db2.gz SZUNJDCZCIPOHQ-MRXNPFEDSA-N 2 0 372.376 3.189 20 0 FGADRP CC(C)[NH+]1CCC(NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000267369453 497534918 /nfs/dbraw/zinc/53/49/18/497534918.db2.gz SKROTCBEDOPHLR-GHTZIAJQSA-N 2 0 372.557 3.069 20 0 FGADRP C[C@H]([NH2+]C(C)(C)CNC(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+])c1ccccc1 ZINC000262308791 497537818 /nfs/dbraw/zinc/53/78/18/497537818.db2.gz OTIDIALVPMHKIC-SNBYJETDSA-N 2 0 357.542 3.386 20 0 FGADRP CC[N@H+](C)Cc1cccc(CNC(=O)NC2CC[NH+](C3CCCC3)CC2)c1 ZINC000267396778 497542424 /nfs/dbraw/zinc/54/24/24/497542424.db2.gz XDZNVBNKXHVVNW-UHFFFAOYSA-N 2 0 372.557 3.345 20 0 FGADRP CC(C)(CNC(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+])[N@@H+]1CCc2ccccc2C1 ZINC000262353345 497543902 /nfs/dbraw/zinc/54/39/02/497543902.db2.gz USIOFGGMMWGVSD-FWGXRIOKSA-N 2 0 369.553 3.093 20 0 FGADRP CC(C)(C)[NH+]1CCC(NC(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000194070632 497564032 /nfs/dbraw/zinc/56/40/32/497564032.db2.gz HJEXQHOIQDBGIY-LJQANCHMSA-N 2 0 372.557 3.071 20 0 FGADRP Cc1ccc([C@H]([NH3+])C(=O)NC2CC[NH+]([C@@H](C)c3ccccc3)CC2)cc1 ZINC000262603783 497581583 /nfs/dbraw/zinc/58/15/83/497581583.db2.gz AMSQZKDKTOTPTI-UWJYYQICSA-N 2 0 351.494 3.337 20 0 FGADRP Cc1ccc([C@@H]([NH3+])C(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)cc1 ZINC000262670167 497596255 /nfs/dbraw/zinc/59/62/55/497596255.db2.gz RHCLPBANUKSOSI-VQIMIIECSA-N 2 0 357.523 3.085 20 0 FGADRP CC(C)(C)[NH+]1CCC(NC(=O)NC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000194252898 497615335 /nfs/dbraw/zinc/61/53/35/497615335.db2.gz OIQKRYLBGAVRQM-UHFFFAOYSA-N 2 0 372.557 3.213 20 0 FGADRP Cc1noc(C2CCC([NH2+]Cc3ccc(OCC[NH+](C)C)cc3)CC2)n1 ZINC000267837836 497626894 /nfs/dbraw/zinc/62/68/94/497626894.db2.gz ZOMOPMNZKAKQHJ-UHFFFAOYSA-N 2 0 358.486 3.134 20 0 FGADRP C[C@H](NCC1([NH+]2CCCC2)CCOCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272550644 497659246 /nfs/dbraw/zinc/65/92/46/497659246.db2.gz FENQLWKXDRZVPL-UNMCSNQZSA-N 2 0 371.569 3.132 20 0 FGADRP Cc1cccc(NC[C@@H]2CC[N@@H+]([C@H](C)C(=O)N[C@@H]3CCCC[C@@H]3C)C2)[nH+]1 ZINC000246205892 497660151 /nfs/dbraw/zinc/66/01/51/497660151.db2.gz YJULRJAQAYRRLK-WZGPROSRSA-N 2 0 358.530 3.207 20 0 FGADRP C[C@H](C[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1)N1CCC[C@@H](C)C1 ZINC000246290430 497685545 /nfs/dbraw/zinc/68/55/45/497685545.db2.gz BMOYPRVWQWVOME-WOJBJXKFSA-N 2 0 372.601 3.427 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NCCCCC[NH+]2CCCCC2)[C@@H](C)C1 ZINC000246343943 497702394 /nfs/dbraw/zinc/70/23/94/497702394.db2.gz FAFBCAOIQBRRSL-OALUTQOASA-N 2 0 352.567 3.014 20 0 FGADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](c2cccc(Cl)c2)N2CCOCC2)[C@@H](C)C1 ZINC000246356890 497706120 /nfs/dbraw/zinc/70/61/20/497706120.db2.gz IDVJFLMUXRBTTC-FFZOFVMBSA-N 2 0 365.949 3.033 20 0 FGADRP O=C(CCC1CC[NH2+]CC1)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000263171306 497723314 /nfs/dbraw/zinc/72/33/14/497723314.db2.gz FTIDADGTEBVCOE-QHCPKHFHSA-N 2 0 369.553 3.281 20 0 FGADRP COc1ccc(-c2n[nH]cc2C[N@@H+]2CC[C@@H](C)[C@H](n3ccnc3)C2)cc1 ZINC000246446426 497737592 /nfs/dbraw/zinc/73/75/92/497737592.db2.gz NPDAFYNOUCMIPQ-DNVCBOLYSA-N 2 0 351.454 3.365 20 0 FGADRP COc1ccc([C@@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CC[C@@H](O)C2)cc1C ZINC000272854463 497745750 /nfs/dbraw/zinc/74/57/50/497745750.db2.gz IGQDMQSILKNYBH-DYESRHJHSA-N 2 0 354.494 3.421 20 0 FGADRP C[C@H](CC(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)[C@H]1CCC[NH2+]C1 ZINC000263275596 497747185 /nfs/dbraw/zinc/74/71/85/497747185.db2.gz QNAAXYXKQSNNMR-SQNIBIBYSA-N 2 0 363.571 3.102 20 0 FGADRP C[C@@H](C(=O)N1c2ccccc2C[C@@H]1C)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000194739684 497754875 /nfs/dbraw/zinc/75/48/75/497754875.db2.gz KINPLWMQIQNHPX-ROUUACIJSA-N 2 0 355.526 3.161 20 0 FGADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)NCC(C)(C)[NH+]2CCC[C@@H](CC)C2)C1 ZINC000246505983 497757842 /nfs/dbraw/zinc/75/78/42/497757842.db2.gz WVNCGYIYXICDHO-MOPGFXCFSA-N 2 0 366.594 3.260 20 0 FGADRP CC(C)c1ccc([C@@H]([NH3+])CNC(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)cc1 ZINC000572263222 505928919 /nfs/dbraw/zinc/92/89/19/505928919.db2.gz PRNLOMNKEAJFRX-UXHICEINSA-N 2 0 358.530 3.080 20 0 FGADRP c1cnn(-c2ccc(CC[NH2+][C@@H]3C[C@]4(CC[NH2+]C4)Oc4ccccc43)cc2)c1 ZINC000581185012 505928989 /nfs/dbraw/zinc/92/89/89/505928989.db2.gz AAPONBXAVOTAFA-GGAORHGYSA-N 2 0 374.488 3.260 20 0 FGADRP C[C@H](O)C[C@@H]1CCC[NH+]1Cc1ccc(C[N@H+]2CCC[C@H]2C[C@H](C)O)cc1 ZINC000246581587 497781422 /nfs/dbraw/zinc/78/14/22/497781422.db2.gz GDQRNDUHTJCVHH-GPHNJDIKSA-N 2 0 360.542 3.157 20 0 FGADRP C[C@@H](O)C[C@@H]1CCC[N@@H+]1Cc1cccc(C[NH+]2CCC[C@H]2C[C@H](C)O)c1 ZINC000246751834 497808133 /nfs/dbraw/zinc/80/81/33/497808133.db2.gz QGWKHRDSVPNGHR-UDKICSLYSA-N 2 0 360.542 3.157 20 0 FGADRP COc1c(C)cnc(C[N@H+](C)C2CCN(Cc3cc(C)no3)CC2)c1C ZINC000364193172 497833957 /nfs/dbraw/zinc/83/39/57/497833957.db2.gz WJRPSUHCUJIGSD-UHFFFAOYSA-N 2 0 358.486 3.100 20 0 FGADRP C[C@H](C[NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1cc(F)cc(F)c1 ZINC000295866459 497835819 /nfs/dbraw/zinc/83/58/19/497835819.db2.gz XDTAJGRUYJBORB-UAOJZALGSA-N 2 0 352.469 3.426 20 0 FGADRP C[NH+](C)CCCOc1cnccc1C[NH2+]Cc1ccnc2ccccc12 ZINC000581213828 505934905 /nfs/dbraw/zinc/93/49/05/505934905.db2.gz YROBKTOVWRSYCD-UHFFFAOYSA-N 2 0 350.466 3.250 20 0 FGADRP COc1cccc(-c2nc(C[NH+]3CCC(CC[NH3+])CC3)cs2)c1OC ZINC000581255742 505944758 /nfs/dbraw/zinc/94/47/58/505944758.db2.gz FVIQXIIHYZCLBL-UHFFFAOYSA-N 2 0 361.511 3.388 20 0 FGADRP COc1ccc(C[NH+]2CCC(C[NH2+]Cc3ccnn3C(C)C)CC2)cc1 ZINC000280825024 497912327 /nfs/dbraw/zinc/91/23/27/497912327.db2.gz JBJHJPBQYHYWEP-UHFFFAOYSA-N 2 0 356.514 3.474 20 0 FGADRP Cn1cncc1CC[NH2+][C@@H]1CCCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000578479530 505949048 /nfs/dbraw/zinc/94/90/48/505949048.db2.gz OBVRGCCUXWEZAD-ILWGZMRPSA-N 2 0 352.526 3.243 20 0 FGADRP Cn1cncc1CC[NH2+][C@@H]1CCCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000578479528 505949134 /nfs/dbraw/zinc/94/91/34/505949134.db2.gz OBVRGCCUXWEZAD-BAGYTPMASA-N 2 0 352.526 3.243 20 0 FGADRP COc1ccc(-c2nc(CN3CC[C@]4(CC[N@H+](C)C4)C3)cs2)cc1OC ZINC000292272570 497948065 /nfs/dbraw/zinc/94/80/65/497948065.db2.gz ZUNBVFOTLWJTIB-FQEVSTJZSA-N 2 0 373.522 3.355 20 0 FGADRP Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)[C@@H]([NH3+])Cc1ccccc1 ZINC000572410419 505962311 /nfs/dbraw/zinc/96/23/11/505962311.db2.gz ZQWHQUFBVQHBQO-IBGZPJMESA-N 2 0 369.534 3.052 20 0 FGADRP C[NH+](C)Cc1ccc(C(=O)NC[C@@H]2CC[N@H+](C)[C@@H]2c2cccs2)cc1 ZINC000364618866 498053121 /nfs/dbraw/zinc/05/31/21/498053121.db2.gz AYOKRAGCTAETBS-HKUYNNGSSA-N 2 0 357.523 3.233 20 0 FGADRP C[C@H]([NH2+]Cc1ccc(C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1)c1ccc(=O)[nH]n1 ZINC000285461148 498093022 /nfs/dbraw/zinc/09/30/22/498093022.db2.gz AGMWSSFFTCGRQX-ZACQAIPSSA-N 2 0 354.498 3.099 20 0 FGADRP C[C@@H]([NH2+]Cc1ccc(C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1)c1ccc(=O)[nH]n1 ZINC000285461141 498093260 /nfs/dbraw/zinc/09/32/60/498093260.db2.gz AGMWSSFFTCGRQX-BRWVUGGUSA-N 2 0 354.498 3.099 20 0 FGADRP C[N@H+](C[C@@H](O)COc1cccc(C(F)(F)F)c1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285491043 498104964 /nfs/dbraw/zinc/10/49/64/498104964.db2.gz MBTRZHHIRKRJMD-FCLJQHQZSA-N 2 0 372.431 3.002 20 0 FGADRP C[NH+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1CCn2c(cnc2C2CCCCC2)C1 ZINC000364732069 498119367 /nfs/dbraw/zinc/11/93/67/498119367.db2.gz XAFOWLZTMWOZRL-MOPGFXCFSA-N 2 0 372.557 3.436 20 0 FGADRP O=C(Nc1ccc(F)cc1)C1CC[NH+](Cc2ccc3c(c2)C[NH2+]CC3)CC1 ZINC000572489528 505981525 /nfs/dbraw/zinc/98/15/25/505981525.db2.gz YFFASLDGEGKVMP-UHFFFAOYSA-N 2 0 367.468 3.322 20 0 FGADRP C[N@@H+]1CC[C@@]2(CCN(CC3=Cc4cc(Br)ccc4OC3)C2)C1 ZINC000292824769 498160539 /nfs/dbraw/zinc/16/05/39/498160539.db2.gz QLAXJAOKWULTPG-GOSISDBHSA-N 2 0 363.299 3.253 20 0 FGADRP CC(C)[C@@H](CNC(=O)C1CC[NH+](C2CC2)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000569674451 505989918 /nfs/dbraw/zinc/98/99/18/505989918.db2.gz PZCBPNCCEAZIPN-JOCHJYFZSA-N 2 0 369.553 3.060 20 0 FGADRP Cc1ncc(CN2CC[C@H]([NH2+]CC(=O)Nc3cccc(C)c3)[C@@H](C)C2)s1 ZINC000364899285 498198804 /nfs/dbraw/zinc/19/88/04/498198804.db2.gz XNBSOFOTVIDSLO-KXBFYZLASA-N 2 0 372.538 3.199 20 0 FGADRP CC[NH+](CC)CCOc1ccc(NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC000296806351 498204484 /nfs/dbraw/zinc/20/44/84/498204484.db2.gz WVJJHARBJCAZOB-YQQQUEKLSA-N 2 0 374.529 3.154 20 0 FGADRP Cc1ncc(CN2CC[C@H]([NH2+][C@@H](C)C(=O)Nc3ccccc3)[C@@H](C)C2)s1 ZINC000364920123 498208949 /nfs/dbraw/zinc/20/89/49/498208949.db2.gz YLZUFCNCQJZDEM-DOXZYTNZSA-N 2 0 372.538 3.279 20 0 FGADRP C[C@@H]([NH2+]C1CCN(c2nccs2)CC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000281630953 498220105 /nfs/dbraw/zinc/22/01/05/498220105.db2.gz OGPCOFHVXHBWHL-MRXNPFEDSA-N 2 0 374.554 3.403 20 0 FGADRP COc1cc[nH+]c(N2CCN(c3cc(C)nc4c(OC)cccc34)CC2)c1 ZINC000301697360 498228018 /nfs/dbraw/zinc/22/80/18/498228018.db2.gz ZOUJGSAPVOYVFP-UHFFFAOYSA-N 2 0 364.449 3.282 20 0 FGADRP COC(=O)N1CCC([NH2+]C2CCC([N@H+](C)Cc3ccccc3)CC2)CC1 ZINC000285906396 498237152 /nfs/dbraw/zinc/23/71/52/498237152.db2.gz DAESZZZWNIYBFB-UHFFFAOYSA-N 2 0 359.514 3.250 20 0 FGADRP C[C@@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)c1nccc2ccccc21 ZINC000289688107 498248509 /nfs/dbraw/zinc/24/85/09/498248509.db2.gz JVXWVLHISGMFBX-QGZVFWFLSA-N 2 0 361.493 3.232 20 0 FGADRP CCN1CCC([NH+]2CCC(C(=O)Nc3ccc4cnccc4c3)CC2)CC1 ZINC000569744488 506005365 /nfs/dbraw/zinc/00/53/65/506005365.db2.gz SYNBPABVHDMRSX-UHFFFAOYSA-N 2 0 366.509 3.370 20 0 FGADRP C[C@@H]1C[C@H]([NH2+]Cc2cccc(-c3nc(CC(F)(F)F)no3)c2)CC[N@@H+]1C ZINC000289763520 498281653 /nfs/dbraw/zinc/28/16/53/498281653.db2.gz LTLPJZYFRPAZDL-IUODEOHRSA-N 2 0 368.403 3.414 20 0 FGADRP C[C@H]1C[C@H](N[C@@H](CC(N)=O)c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000293169957 498292272 /nfs/dbraw/zinc/29/22/72/498292272.db2.gz WCQLQFOQHRCSFT-WMQCIHAUSA-N 2 0 351.494 3.246 20 0 FGADRP CC[N@H+](Cc1ccc(C(=O)Nc2nc3c(s2)C[C@@H]([NH3+])CC3)cc1)C(C)C ZINC000289837947 498317315 /nfs/dbraw/zinc/31/73/15/498317315.db2.gz KAQKNDJCJWRVSB-INIZCTEOSA-N 2 0 372.538 3.442 20 0 FGADRP C[C@@H]1C[C@@H](CC[NH2+]C[C@H](O)COc2ccccc2)C[N@@H+]1Cc1ccccc1 ZINC000572594893 506006213 /nfs/dbraw/zinc/00/62/13/506006213.db2.gz ISFDZAKIFZDANY-FCEUIQTBSA-N 2 0 368.521 3.317 20 0 FGADRP CN(C)C(=O)c1ccc(CN2CCC[C@H]([N@H+](C)Cc3ccccc3)CC2)[nH]1 ZINC000361154314 498352217 /nfs/dbraw/zinc/35/22/17/498352217.db2.gz PRKAVQPBUSXOAA-FQEVSTJZSA-N 2 0 368.525 3.203 20 0 FGADRP COc1ccc([C@@H]2CCCC[C@@H]2[NH2+][C@H](C)CN2CC[NH+](C)CC2)cc1F ZINC000361245268 498364760 /nfs/dbraw/zinc/36/47/60/498364760.db2.gz FDECPGYBXNPOPU-KPFFTGBYSA-N 2 0 363.521 3.086 20 0 FGADRP COc1ccc([C@@H](Cc2ccccc2)[NH2+]CCCN2CC[NH+](C)CC2)cc1 ZINC000290040865 498405299 /nfs/dbraw/zinc/40/52/99/498405299.db2.gz CQFXVFIOBHENAW-HSZRJFAPSA-N 2 0 367.537 3.206 20 0 FGADRP C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)[C@H]1c1cccs1 ZINC000361717102 498422940 /nfs/dbraw/zinc/42/29/40/498422940.db2.gz AXUIBBQJUFXXSI-OREBXVKISA-N 2 0 361.555 3.168 20 0 FGADRP C[N@@H+]1CCC[C@H](CNC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@H]1c1cccs1 ZINC000361720312 498423609 /nfs/dbraw/zinc/42/36/09/498423609.db2.gz XWDBPLWJUKMTAD-AZYQFLJNSA-N 2 0 361.555 3.168 20 0 FGADRP C[C@@H]1CN(C(=O)c2ccc(C[NH+]3CCCC3)cc2)CC[N@@H+](C2CCC2)C1 ZINC000293645828 498440475 /nfs/dbraw/zinc/44/04/75/498440475.db2.gz HUFXQJYLFRUUAT-SFHVURJKSA-N 2 0 355.526 3.229 20 0 FGADRP CC(C)N1CC[C@H](NC(=O)[C@H](C)[NH2+]C2CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000572718614 506035588 /nfs/dbraw/zinc/03/55/88/506035588.db2.gz MOCCKQHQUMEGDD-UYHISHBKSA-N 2 0 367.896 3.260 20 0 FGADRP Cc1ccc2[nH+]ccc(N3CCN(C4C[C@H]5CC[C@@H](C4)[N@H+]5C)CC3)c2c1 ZINC000302242120 498456847 /nfs/dbraw/zinc/45/68/47/498456847.db2.gz YJCLXPDGSLJBNR-DFNIBXOVSA-N 2 0 350.510 3.290 20 0 FGADRP C[C@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)c1cccc(-c2ccncc2)c1 ZINC000282307751 498460819 /nfs/dbraw/zinc/46/08/19/498460819.db2.gz MUNKPBIIPBMRKV-SFHVURJKSA-N 2 0 352.526 3.425 20 0 FGADRP COC1(C[NH+]2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)CCOCC1 ZINC000365435448 498466252 /nfs/dbraw/zinc/46/62/52/498466252.db2.gz XNMBYGLLHXXDRO-UHFFFAOYSA-N 2 0 358.526 3.170 20 0 FGADRP O=C1O[C@@H](C[NH+]2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)CC12CC2 ZINC000365463233 498479763 /nfs/dbraw/zinc/47/97/63/498479763.db2.gz LONYJJIGQGEWRJ-LJQANCHMSA-N 2 0 354.494 3.070 20 0 FGADRP CC(=O)NC1CCC([NH2+]C[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000290253948 498484663 /nfs/dbraw/zinc/48/46/63/498484663.db2.gz ULKDFTBRSKFNIZ-HWELCPFYSA-N 2 0 357.542 3.326 20 0 FGADRP COc1ccc([C@H](OC)[C@@H](C)[NH2+]C2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000297585705 498502282 /nfs/dbraw/zinc/50/22/82/498502282.db2.gz ITUWBDGXRUTCGZ-IIBYNOLFSA-N 2 0 355.482 3.425 20 0 FGADRP CC(C)C[NH+]1CCC(NC(=O)N(C)[C@H](c2ncc[nH]2)c2ccccc2)CC1 ZINC000297601513 498507603 /nfs/dbraw/zinc/50/76/03/498507603.db2.gz QLVMLTBWUGWCDX-IBGZPJMESA-N 2 0 369.513 3.261 20 0 FGADRP CCC[N@H+](C)[C@H](CNC(=O)N[C@H](C)C[C@H](C)[NH3+])c1ccc(Cl)cc1 ZINC000578888231 506045549 /nfs/dbraw/zinc/04/55/49/506045549.db2.gz XEYDOLLIFXYKBV-JJRVBVJISA-N 2 0 354.926 3.148 20 0 FGADRP COc1ccc(C[NH+]2CCC(C[NH2+][C@@H]3C[C@H](C)n4ccnc43)CC2)cc1 ZINC000297657087 498527012 /nfs/dbraw/zinc/52/70/12/498527012.db2.gz KLVLOMZISILZQW-OXJNMPFZSA-N 2 0 354.498 3.399 20 0 FGADRP C[C@H]1CN(Cc2cccc(CNCc3c(F)ccc(O)c3F)c2)CCO1 ZINC000294167024 498608173 /nfs/dbraw/zinc/60/81/73/498608173.db2.gz IZLGADCYUQTBBM-AWEZNQCLSA-N 2 0 362.420 3.181 20 0 FGADRP CCc1nc(CN2CCC(CNc3ncnc(N)c3Cl)CC2)cs1 ZINC000302898681 498620558 /nfs/dbraw/zinc/62/05/58/498620558.db2.gz PZDZAMFLCIZKHK-UHFFFAOYSA-N 2 0 366.922 3.055 20 0 FGADRP CN(CC[N@H+](C)C1CCN(C)CC1)Cc1ccccc1OC(F)(F)F ZINC000572846791 506066450 /nfs/dbraw/zinc/06/64/50/506066450.db2.gz HFAXYLMNRHNGOU-UHFFFAOYSA-N 2 0 359.436 3.043 20 0 FGADRP C[C@@H](O)[C@@](C)(C[NH2+]C1CCN(c2cc[nH+]cc2)CC1)Cc1ccccc1 ZINC000298063932 498653895 /nfs/dbraw/zinc/65/38/95/498653895.db2.gz KIUFZGSAKUIUGP-XMSQKQJNSA-N 2 0 353.510 3.270 20 0 FGADRP C[C@@H]1CN(c2ccccc2C[N@@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)CCO1 ZINC000298130653 498673576 /nfs/dbraw/zinc/67/35/76/498673576.db2.gz PZNSEVRUTUIQSQ-QUCCMNQESA-N 2 0 357.542 3.075 20 0 FGADRP O=C(CC[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)Nc1cccc(C(F)(F)F)c1 ZINC000572881718 506074416 /nfs/dbraw/zinc/07/44/16/506074416.db2.gz FNHPDYFFGXFZRD-LSDHHAIUSA-N 2 0 369.431 3.356 20 0 FGADRP COc1ccc([C@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H]2CO)cc1O ZINC000290819168 498689401 /nfs/dbraw/zinc/68/94/01/498689401.db2.gz WWKDBELBKWNXEQ-JXFKEZNVSA-N 2 0 370.493 3.208 20 0 FGADRP O=C1[C@H]([NH2+]C2CCN(c3cc[nH+]cc3)CC2)CCN1c1ccccc1Cl ZINC000298295644 498724147 /nfs/dbraw/zinc/72/41/47/498724147.db2.gz HJYNIICQRKOYNR-GOSISDBHSA-N 2 0 370.884 3.099 20 0 FGADRP O=C(c1ccc(C[NH+]2CCCCC2)cc1)N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000363260486 498733572 /nfs/dbraw/zinc/73/35/72/498733572.db2.gz WSPYAOAXNLXMEQ-BHDDXSALSA-N 2 0 367.537 3.229 20 0 FGADRP Ic1cccc(CNCCC[NH+]2CCCCC2)c1 ZINC000306101729 498736635 /nfs/dbraw/zinc/73/66/35/498736635.db2.gz PTEAZLDHJMTOJC-UHFFFAOYSA-N 2 0 358.267 3.257 20 0 FGADRP CN(C(=O)CC[C@@H]([NH3+])c1ccccc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000311496203 498751491 /nfs/dbraw/zinc/75/14/91/498751491.db2.gz VSIYOHVPLXRUAO-LEWJYISDSA-N 2 0 351.494 3.200 20 0 FGADRP C[C@H](NC(=O)CC[C@@H]([NH3+])c1ccccc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000312682414 498760525 /nfs/dbraw/zinc/76/05/25/498760525.db2.gz LFWIKXNYFQLQHS-YUXAGFNASA-N 2 0 365.521 3.493 20 0 FGADRP C[C@@H](C(=O)N[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]([NH3+])c1ccccc1 ZINC000312681371 498760543 /nfs/dbraw/zinc/76/05/43/498760543.db2.gz KYZYYHQSKAUWKR-GMQQQROESA-N 2 0 365.521 3.349 20 0 FGADRP COc1cc(C[NH2+]Cc2ccncc2OCC[NH+](C)C)ccc1SC ZINC000581907293 506087122 /nfs/dbraw/zinc/08/71/22/506087122.db2.gz JSIOQXIFPLIJHN-UHFFFAOYSA-N 2 0 361.511 3.042 20 0 FGADRP CCN(C(=O)[C@@H]1CCCn2ccnc21)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000363354947 498776336 /nfs/dbraw/zinc/77/63/36/498776336.db2.gz FXTAPFOWHYBHFU-MISYRCLQSA-N 2 0 366.509 3.445 20 0 FGADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)NC2CC[NH+](C3CCC(C)CC3)CC2)C1 ZINC000363358717 498779440 /nfs/dbraw/zinc/77/94/40/498779440.db2.gz JGPLSIKUAULPBF-FDYSRKEFSA-N 2 0 364.578 3.013 20 0 FGADRP COc1ccc(C[NH+]2CCC(C[NH2+]C3CCN(C4CC4)CC3)CC2)cc1 ZINC000298515542 498799342 /nfs/dbraw/zinc/79/93/42/498799342.db2.gz REWANUFOMCWRQJ-UHFFFAOYSA-N 2 0 357.542 3.124 20 0 FGADRP CCc1cccc(OCC[NH+]2CCC(C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)c1 ZINC000576168735 506092376 /nfs/dbraw/zinc/09/23/76/506092376.db2.gz ZLMWZUIXQBFXBC-OALUTQOASA-N 2 0 360.542 3.449 20 0 FGADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]CCCCCNC(=O)OCc1ccccc1 ZINC000287643955 498823928 /nfs/dbraw/zinc/82/39/28/498823928.db2.gz USMNTJQGVLKRIV-WSTZPKSXSA-N 2 0 361.530 3.401 20 0 FGADRP Cc1nn(C)c(N2CCC[N@H+](C)CC2)c1C[NH2+][C@@H](C)c1ccc(C)cc1 ZINC000366241915 498837027 /nfs/dbraw/zinc/83/70/27/498837027.db2.gz TUWXWOUKCRXCMK-KRWDZBQOSA-N 2 0 355.530 3.030 20 0 FGADRP CCCN(CCC)C(=O)CN1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000576197164 506098733 /nfs/dbraw/zinc/09/87/33/506098733.db2.gz YDMSILFAHVCMLW-NHCUHLMSSA-N 2 0 357.542 3.089 20 0 FGADRP CC(C)C[C@@H](CNC(=O)CCc1cncn1C)[NH2+][C@H](C)c1ccccc1 ZINC000283382954 498868914 /nfs/dbraw/zinc/86/89/14/498868914.db2.gz MVSABDOIEQPSAK-MJGOQNOKSA-N 2 0 356.514 3.234 20 0 FGADRP CCOc1cccc(C[NH2+]CCC2CC[NH+](C3CCN(C)CC3)CC2)c1 ZINC000363661539 498930879 /nfs/dbraw/zinc/93/08/79/498930879.db2.gz KIBJURXVWMIMTE-UHFFFAOYSA-N 2 0 359.558 3.371 20 0 FGADRP CC[NH+]1CCN(CCCC[NH2+]Cc2cccc(Br)c2F)CC1 ZINC000295215053 498945568 /nfs/dbraw/zinc/94/55/68/498945568.db2.gz AXVHANWJOHJDJY-UHFFFAOYSA-N 2 0 372.326 3.096 20 0 FGADRP CC(C)[C@H]1C[C@@H]([NH2+][C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)c2ccccc21 ZINC000333240591 498949561 /nfs/dbraw/zinc/94/95/61/498949561.db2.gz DTDISEBSXTXCQA-VMBXEPDQSA-N 2 0 355.526 3.107 20 0 FGADRP C[N@@H+]1CCC[C@H](CC[NH2+]C[C@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000576271964 506117922 /nfs/dbraw/zinc/11/79/22/506117922.db2.gz MYWKKUDTVFXHAP-HIFRSBDPSA-N 2 0 361.313 3.055 20 0 FGADRP COc1cc2[nH+]ccc(N3CCC(OCCC[NH+](C)C)CC3)c2cc1OC ZINC000299116457 498969410 /nfs/dbraw/zinc/96/94/10/498969410.db2.gz XFMAYKIIKIOSNO-UHFFFAOYSA-N 2 0 373.497 3.189 20 0 FGADRP O=C(Nc1ccc2c(c1F)CC[NH2+]C2)NC1CC[NH+](C2CCCCC2)CC1 ZINC000333331535 498982202 /nfs/dbraw/zinc/98/22/02/498982202.db2.gz OIOIXYAVFVNWNP-UHFFFAOYSA-N 2 0 374.504 3.390 20 0 FGADRP C[C@H]([NH3+])[C@H]1CCCN(C(=O)NC[C@H]2CCCC[N@H+](Cc3ccccc3)C2)C1 ZINC000582052538 506122498 /nfs/dbraw/zinc/12/24/98/506122498.db2.gz FRFDKCROXSHOSY-TYPHKJRUSA-N 2 0 372.557 3.058 20 0 FGADRP CC[C@H]([NH2+]Cc1c(C)nn(C)c1N1CCC[N@H+](C)CC1)c1ccccc1 ZINC000363779541 498988010 /nfs/dbraw/zinc/98/80/10/498988010.db2.gz AMXCPFUYDZDNHM-FQEVSTJZSA-N 2 0 355.530 3.111 20 0 FGADRP COc1cc(C)c([C@H](C)[NH2+]C2CCN(CC(=O)N3CCCC3)CC2)cc1C ZINC000363829883 499014329 /nfs/dbraw/zinc/01/43/29/499014329.db2.gz UHQPNFMHBIQWNK-SFHVURJKSA-N 2 0 373.541 3.049 20 0 FGADRP COc1cc2[nH+]ccc(N3C[C@@H]4CC[C@@H]([NH3+])[C@@H]4C3)c2cc1Br ZINC000333554791 499030348 /nfs/dbraw/zinc/03/03/48/499030348.db2.gz KATGWQDRZRWMDC-ZKYQVNSYSA-N 2 0 362.271 3.179 20 0 FGADRP CCC[N@H+](C)[C@H](CNC(=O)C12CCC[NH+]1CCC2)c1ccc(Cl)cc1 ZINC000582079067 506127991 /nfs/dbraw/zinc/12/79/91/506127991.db2.gz QMCYTQKRKHQQJG-GOSISDBHSA-N 2 0 363.933 3.468 20 0 FGADRP CN1CC[NH+](CC2(C)CC[NH+](Cc3cnc(C(C)(C)C)s3)CC2)CC1 ZINC000363891218 499042119 /nfs/dbraw/zinc/04/21/19/499042119.db2.gz STPLWIGJEFPYMH-UHFFFAOYSA-N 2 0 364.603 3.290 20 0 FGADRP CCOC(=O)c1oc2c(c1C)[C@H]([NH2+]C[C@@H]1CCc3nccn3C1)CCC2 ZINC000366730495 499052134 /nfs/dbraw/zinc/05/21/34/499052134.db2.gz OXVFWDBWJPERTC-LSDHHAIUSA-N 2 0 357.454 3.191 20 0 FGADRP CS(=O)(=O)[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000284307387 499085894 /nfs/dbraw/zinc/08/58/94/499085894.db2.gz ZDKWMQCPYPKGMV-WOJBJXKFSA-N 2 0 364.555 3.118 20 0 FGADRP CS(=O)(=O)[C@H]1CCC[C@H]([NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000284307380 499086228 /nfs/dbraw/zinc/08/62/28/499086228.db2.gz ZDKWMQCPYPKGMV-PMACEKPBSA-N 2 0 364.555 3.118 20 0 FGADRP C[C@H]1CC[N@H+](CCOc2ccc(NC(=O)CC3CC[NH+](C)CC3)cc2)C1 ZINC000291902653 499097001 /nfs/dbraw/zinc/09/70/01/499097001.db2.gz KDOADNIZHRYSQC-KRWDZBQOSA-N 2 0 359.514 3.078 20 0 FGADRP COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+]C2CC[NH+]([C@H]3CCC[C@H]3O)CC2)cc1 ZINC000284525612 499120109 /nfs/dbraw/zinc/12/01/09/499120109.db2.gz WWLPWBDTELPOKT-JBOLQRTASA-N 2 0 358.526 3.155 20 0 FGADRP C[N@@H+]1CCC[C@@H](CNC(=O)Nc2ccc(C[NH3+])cc2)[C@H]1c1cccs1 ZINC000576328713 506131871 /nfs/dbraw/zinc/13/18/71/506131871.db2.gz CTZNHRGHTSGRCR-YJBOKZPZSA-N 2 0 358.511 3.411 20 0 FGADRP C[N@H+](Cc1ccccc1CNC(=O)[C@@H]1C[C@]12CC[NH2+]C2)C1CCCCC1 ZINC000372488987 499134003 /nfs/dbraw/zinc/13/40/03/499134003.db2.gz CJFQGZQOMFICKK-UNMCSNQZSA-N 2 0 355.526 3.067 20 0 FGADRP CC(C)[NH+]1CCC(Nc2ccc(C(=O)N(C)[C@H]3CCC[N@H+](C)C3)cc2)CC1 ZINC000367040393 499138424 /nfs/dbraw/zinc/13/84/24/499138424.db2.gz IZJXIAGGZMCZPC-NRFANRHFSA-N 2 0 372.557 3.138 20 0 FGADRP CC[NH+](CC)Cc1cc([C@H](C)[NH2+][C@H]2CCC(=O)N[C@@H]2C2CC2)ccc1OC ZINC000367066441 499142613 /nfs/dbraw/zinc/14/26/13/499142613.db2.gz JNLVMGKAAOOCGB-WQFQCULDSA-N 2 0 373.541 3.245 20 0 FGADRP Cc1c[nH+]ccc1N1CCC(C(=O)NCCCC[NH+]2CCC(C)CC2)CC1 ZINC000369941636 499154925 /nfs/dbraw/zinc/15/49/25/499154925.db2.gz ITSDYEVXOOCFCC-UHFFFAOYSA-N 2 0 372.557 3.235 20 0 FGADRP C[C@@H](C(=O)N1CCCCCC1)[N@@H+]1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000367231938 499165793 /nfs/dbraw/zinc/16/57/93/499165793.db2.gz RPZNIJXGLWCQFD-ZWKOTPCHSA-N 2 0 358.530 3.190 20 0 FGADRP Cn1cc([C@H]2[C@@H](C[NH2+][C@H]3Cc4[nH]c5ccccc5c4C3)CCCN2C)cn1 ZINC000370250255 499202194 /nfs/dbraw/zinc/20/21/94/499202194.db2.gz ZOWMKDOPOIBTAA-ZDPZECHZSA-N 2 0 363.509 3.041 20 0 FGADRP COCOc1ccc(OC)cc1C[N@H+](C)C1CCN(c2cc[nH+]cc2)CC1 ZINC000367683903 499224501 /nfs/dbraw/zinc/22/45/01/499224501.db2.gz GMAZUCVUFCPENQ-UHFFFAOYSA-N 2 0 371.481 3.174 20 0 FGADRP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000370608399 499235419 /nfs/dbraw/zinc/23/54/19/499235419.db2.gz LJEPSQGAGFUQEI-PNJWGLBASA-N 2 0 371.569 3.303 20 0 FGADRP C[C@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccc(Br)s1 ZINC000370624702 499236679 /nfs/dbraw/zinc/23/66/79/499236679.db2.gz OGLNYVQPFSGDPV-QWHCGFSZSA-N 2 0 372.376 3.330 20 0 FGADRP C[N@@H+](CC(=O)Nc1cc(F)ccc1F)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000367883307 499241422 /nfs/dbraw/zinc/24/14/22/499241422.db2.gz BLHPPYQFRZHZQX-UHFFFAOYSA-N 2 0 374.435 3.147 20 0 FGADRP Cn1cc([C@H]2[C@H](C[NH2+]Cc3cc(F)c(F)cc3F)CCCN2C)cn1 ZINC000370715412 499247536 /nfs/dbraw/zinc/24/75/36/499247536.db2.gz SKHHXPHDZFKFMI-KPZWWZAWSA-N 2 0 352.404 3.010 20 0 FGADRP C[NH+]1CCC(N2CC[C@@H]([NH2+][C@H]3CCCc4c5ccccc5[nH]c43)C2)CC1 ZINC000368007226 499254399 /nfs/dbraw/zinc/25/43/99/499254399.db2.gz PMZLKRGYDNOHTM-IERDGZPVSA-N 2 0 352.526 3.303 20 0 FGADRP Cc1nccn1-c1ccc([C@H](C)[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)cc1 ZINC000368026071 499256698 /nfs/dbraw/zinc/25/66/98/499256698.db2.gz ZVLZFUIPBGNNQK-JJCGOBCMSA-N 2 0 368.525 3.425 20 0 FGADRP COC(=O)c1ccc(-c2ccc(C[N@@H+]3CC[C@H](c4nccn4C)C3)o2)cc1 ZINC000570320082 506141401 /nfs/dbraw/zinc/14/14/01/506141401.db2.gz YNOUCHFJEJLTRW-KRWDZBQOSA-N 2 0 365.433 3.456 20 0 FGADRP Fc1ccccc1C[NH+]1CCC(C[NH2+]Cc2c[nH]c3nccnc23)CC1 ZINC000368213706 499274943 /nfs/dbraw/zinc/27/49/43/499274943.db2.gz CBYOFANCSCEGAI-UHFFFAOYSA-N 2 0 353.445 3.050 20 0 FGADRP Cn1cc(C[N@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)c(C(C)(C)C)n1 ZINC000368303637 499283494 /nfs/dbraw/zinc/28/34/94/499283494.db2.gz POJVUUXBTYKDPS-UHFFFAOYSA-N 2 0 355.530 3.461 20 0 FGADRP c1ccc2sc(N3CCC([NH2+][C@H]4CC[N@@H+]5CCC[C@@H]5C4)CC3)nc2c1 ZINC000371110531 499289324 /nfs/dbraw/zinc/28/93/24/499289324.db2.gz ZITYZYAJJKQHGJ-DLBZAZTESA-N 2 0 356.539 3.482 20 0 FGADRP O[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]C2CCC(O)(c3ccccc3)CC2)CC1 ZINC000368494612 499301997 /nfs/dbraw/zinc/30/19/97/499301997.db2.gz NSQMQAGKHWEDQR-ACFFJPHRSA-N 2 0 372.553 3.174 20 0 FGADRP C[NH+](C)[C@H]1CCc2ccccc2[C@H]1NC1CC[NH+](Cc2ccncc2)CC1 ZINC000371486811 499333247 /nfs/dbraw/zinc/33/32/47/499333247.db2.gz AFGJVZRHMZDOLR-XZOQPEGZSA-N 2 0 364.537 3.253 20 0 FGADRP C[N@@H+]1CC[C@H](C[NH2+]C2CCN(Cc3ccccn3)CC2)[C@H]1c1ccccc1 ZINC000371521043 499337459 /nfs/dbraw/zinc/33/74/59/499337459.db2.gz YQAAHMBOZOGACJ-NFBKMPQASA-N 2 0 364.537 3.329 20 0 FGADRP [NH3+]Cc1cc(C(=O)N2CCC[C@H]2[C@@H]2CCC[N@@H+]2Cc2ccccc2)co1 ZINC000372436271 499434577 /nfs/dbraw/zinc/43/45/77/499434577.db2.gz IBTBKVRQXXVXFN-PMACEKPBSA-N 2 0 353.466 3.008 20 0 FGADRP Cc1c[nH+]ccc1N1CCC(C(=O)NC[C@@H]2CCC[N@@H+](CC(C)C)C2)CC1 ZINC000378217996 499491171 /nfs/dbraw/zinc/49/11/71/499491171.db2.gz PIXCBMQWDLRSID-IBGZPJMESA-N 2 0 372.557 3.091 20 0 FGADRP Cc1cccc(C)c1NC(=O)[C@H](C)N1CCC(C)(C[NH+]2CCOCC2)CC1 ZINC000378277075 499497048 /nfs/dbraw/zinc/49/70/48/499497048.db2.gz ZOWJEGOQHKYHNA-IBGZPJMESA-N 2 0 373.541 3.065 20 0 FGADRP COc1ncc([C@H](C)N[C@@H]2CC[N@H+](C[C@@H]3CCCO3)C[C@H]2C)cc1Cl ZINC000375294976 499503732 /nfs/dbraw/zinc/50/37/32/499503732.db2.gz XXHJGFQISUWMCZ-YQYZPQCESA-N 2 0 367.921 3.284 20 0 FGADRP COc1ncc([C@H](C)N[C@@H]2CC[N@H+](C[C@H]3CCCO3)C[C@H]2C)cc1Cl ZINC000375294973 499504019 /nfs/dbraw/zinc/50/40/19/499504019.db2.gz XXHJGFQISUWMCZ-CXHZTBPHSA-N 2 0 367.921 3.284 20 0 FGADRP C[C@H](c1ccc(OC(F)F)cc1)[N@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000378425929 499515705 /nfs/dbraw/zinc/51/57/05/499515705.db2.gz GTGVSYCSXUZYIJ-QAPCUYQASA-N 2 0 367.484 3.449 20 0 FGADRP CC(C)[NH+]1CCN(CCC[NH2+]C[C@H]2CCC[N@H+](C)[C@@H]2c2ccccc2)CC1 ZINC000375445725 499519835 /nfs/dbraw/zinc/51/98/35/499519835.db2.gz AYICSKMRBVPZRS-DHIUTWEWSA-N 3 0 372.601 3.075 20 0 FGADRP COc1ccc(C[NH+]2CCC(C[NH2+][C@H]3CCCc4nn(C)cc43)CC2)cc1 ZINC000375647770 499541016 /nfs/dbraw/zinc/54/10/16/499541016.db2.gz FZUDXRVYNPICQY-NRFANRHFSA-N 2 0 368.525 3.308 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)C[C@@H]([NH3+])c1ccccc1 ZINC000382721999 499546272 /nfs/dbraw/zinc/54/62/72/499546272.db2.gz NWWDWHFVMMFCJB-WIYYLYMNSA-N 2 0 351.494 3.200 20 0 FGADRP C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@H]1[NH2+]C/C=C/c1ccc(F)c(F)c1 ZINC000375740233 499550477 /nfs/dbraw/zinc/55/04/77/499550477.db2.gz FDHFDYHZRHAOBL-LQTBCPLBSA-N 2 0 350.453 3.457 20 0 FGADRP OC1(C[NH2+]Cc2ccnc3ccccc23)CC[NH+](Cc2ccccc2)CC1 ZINC000397578499 499564401 /nfs/dbraw/zinc/56/44/01/499564401.db2.gz DJFKBYINHGFYSW-UHFFFAOYSA-N 2 0 361.489 3.352 20 0 FGADRP COC(=O)c1cc(C[NH2+]CC2CC[NH+](Cc3ccccc3)CC2)n(C)c1C ZINC000397682032 499564595 /nfs/dbraw/zinc/56/45/95/499564595.db2.gz LYISULWZENILPW-UHFFFAOYSA-N 2 0 369.509 3.122 20 0 FGADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCC(=O)Nc1c(F)cccc1F ZINC000397985820 499565617 /nfs/dbraw/zinc/56/56/17/499565617.db2.gz OEKNVPVCVLOKOF-HNAYVOBHSA-N 2 0 373.447 3.404 20 0 FGADRP C[C@@H]1C[C@@H](NC(=O)CC[C@H]([NH3+])c2ccccc2)C[N@@H+]1Cc1ccccc1 ZINC000398058012 499566213 /nfs/dbraw/zinc/56/62/13/499566213.db2.gz LSSNWVPQLIDJLZ-UIFIKXQLSA-N 2 0 351.494 3.246 20 0 FGADRP Cc1ccnc(C)c1NC(=O)NCCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000376610239 499622978 /nfs/dbraw/zinc/62/29/78/499622978.db2.gz LZCQOWSEBSOPND-UHFFFAOYSA-N 3 0 373.545 3.016 20 0 FGADRP C[NH+](C)[C@@H](CNC(=O)c1ccc2c(c1)CC[NH2+]CC2)c1ccc(Cl)cc1 ZINC000582179142 506152641 /nfs/dbraw/zinc/15/26/41/506152641.db2.gz LSPWUOMYQDDCTK-FQEVSTJZSA-N 2 0 371.912 3.061 20 0 FGADRP CN(C(=O)NC1CC[NH+](C2CCCCC2)CC1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000376704650 499630454 /nfs/dbraw/zinc/63/04/54/499630454.db2.gz BLHGTMLMFFFRHS-YOFSQIOKSA-N 2 0 362.562 3.050 20 0 FGADRP CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1CCC[N@H+](CCCn2ccnc2)C1 ZINC000376854114 499640908 /nfs/dbraw/zinc/64/09/08/499640908.db2.gz GWXSYMFPDRKONK-ZWKOTPCHSA-N 2 0 362.518 3.385 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)NCC[NH+]2CCCCC2)cc1 ZINC000410345271 499656310 /nfs/dbraw/zinc/65/63/10/499656310.db2.gz PNTPAZBOLOAZDO-LJQANCHMSA-N 2 0 372.557 3.346 20 0 FGADRP c1ccc(N2CCN(CCC[NH+]3CCC(OCC4CC4)CC3)CC2)cc1 ZINC000377130363 499664767 /nfs/dbraw/zinc/66/47/67/499664767.db2.gz RXFWPOAJBPHSDF-UHFFFAOYSA-N 2 0 357.542 3.090 20 0 FGADRP C[NH+](C)CCOc1cnccc1C[NH2+][C@@H]1CCC[C@H](c2cccnc2)C1 ZINC000377398926 499687095 /nfs/dbraw/zinc/68/70/95/499687095.db2.gz BQOASQOUMNFQQB-FXAWDEMLSA-N 2 0 354.498 3.233 20 0 FGADRP C[NH+](C)CCCOc1cnccc1C[NH2+][C@@H]1CCCC[C@H]1[C@@H]1CCOC1 ZINC000377562327 499705060 /nfs/dbraw/zinc/70/50/60/499705060.db2.gz IYQZKAXCNPAFLP-HSALFYBXSA-N 2 0 361.530 3.097 20 0 FGADRP COc1ccc2c(c1)CCC[C@@H]2[N@@H+]1CCC[C@@H](CN2CC[NH+](C)CC2)C1 ZINC000377618189 499711095 /nfs/dbraw/zinc/71/10/95/499711095.db2.gz BRHOKMZDTDAEAF-AVRDEDQJSA-N 2 0 357.542 3.032 20 0 FGADRP COc1ccc(C[N@@H+]2CCC[C@@H](CN3CC[NH+](C)CC3)C2)c2ccccc12 ZINC000377629465 499713222 /nfs/dbraw/zinc/71/32/22/499713222.db2.gz RTPKCYMMEKHESB-IBGZPJMESA-N 2 0 367.537 3.308 20 0 FGADRP c1cc(C[NH+]2CCCCC2)ccc1CN1CC[NH+](CC2CCOCC2)CC1 ZINC000411283624 499721420 /nfs/dbraw/zinc/72/14/20/499721420.db2.gz ZKBGNYTWUPGDRU-UHFFFAOYSA-N 2 0 371.569 3.217 20 0 FGADRP CC(C)[NH+]1CCC(NC(=O)C[NH2+][C@H](C)c2ccc(C(F)(F)F)cc2)CC1 ZINC000411458731 499743225 /nfs/dbraw/zinc/74/32/25/499743225.db2.gz MDHCSSLZDGALMP-CQSZACIVSA-N 2 0 371.447 3.345 20 0 FGADRP CN(Cc1cccs1)C(=O)C[NH+]1CCC(CCCn2ccnc2)CC1 ZINC000411508080 499748826 /nfs/dbraw/zinc/74/88/26/499748826.db2.gz SXIMKKTUEOPBHX-UHFFFAOYSA-N 2 0 360.527 3.095 20 0 FGADRP C[C@H]1CCCN(c2cc(NC[C@@H]3CC[N@H+](C)[C@H]3c3cccnc3)ncn2)C1 ZINC000377989102 499753847 /nfs/dbraw/zinc/75/38/47/499753847.db2.gz OCYPUYIQJNXSFA-MDKPJZGXSA-N 2 0 366.513 3.213 20 0 FGADRP c1cncc(COc2ccc(C[N@@H+]3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)cc2)c1 ZINC000570396365 506158692 /nfs/dbraw/zinc/15/86/92/506158692.db2.gz JIZWEYVYVXWCBY-LEWJYISDSA-N 2 0 351.494 3.482 20 0 FGADRP CO[C@@H](c1ccccc1)[C@H](C)[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000414294223 499775109 /nfs/dbraw/zinc/77/51/09/499775109.db2.gz BSVXYHMQDGVMPF-SIKLNZKXSA-N 2 0 368.521 3.379 20 0 FGADRP Cc1cc([C@H](C)[NH2+]Cc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)c(C)o1 ZINC000414321115 499777757 /nfs/dbraw/zinc/77/77/57/499777757.db2.gz DKGWQKYOFTULMB-INIZCTEOSA-N 2 0 369.509 3.445 20 0 FGADRP C[C@H]1CCC[C@H](C)C1[NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000414331851 499778669 /nfs/dbraw/zinc/77/86/69/499778669.db2.gz UNADYOFFHGPJBN-IRXDYDNUSA-N 2 0 357.542 3.298 20 0 FGADRP CC(C)[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000414336545 499778844 /nfs/dbraw/zinc/77/88/44/499778844.db2.gz ZNFOINQDPLTCGA-SFTDATJTSA-N 2 0 357.542 3.298 20 0 FGADRP CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]Cc3cccc(C[NH+]4CCCCC4)c3)[C@H]2C1 ZINC000411740912 499785273 /nfs/dbraw/zinc/78/52/73/499785273.db2.gz ZANWJOFAVQCDKL-RJGXRXQPSA-N 2 0 369.553 3.409 20 0 FGADRP CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]Cc3cccc(C[NH+]4CCCCC4)c3)[C@@H]2C1 ZINC000411740917 499785300 /nfs/dbraw/zinc/78/53/00/499785300.db2.gz ZANWJOFAVQCDKL-ZRBLBEILSA-N 2 0 369.553 3.409 20 0 FGADRP CC(C)[NH+]1CCC(NC(=O)C[NH2+][C@H]2CCCC[C@H]2CC(F)(F)F)CC1 ZINC000411788491 499790700 /nfs/dbraw/zinc/79/07/00/499790700.db2.gz LMNBEXLKLCEUHY-HOCLYGCPSA-N 2 0 363.468 3.076 20 0 FGADRP Cc1cc(C[NH2+]Cc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)cs1 ZINC000414559524 499809085 /nfs/dbraw/zinc/80/90/85/499809085.db2.gz UTHRLYKLXOHYEP-UHFFFAOYSA-N 2 0 357.523 3.044 20 0 FGADRP C[C@@H](c1ccc(Cl)cc1Cl)[N@H+](C)C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414677138 499819890 /nfs/dbraw/zinc/81/98/90/499819890.db2.gz ONIVOMAZJKUWSG-QWHCGFSZSA-N 2 0 358.313 3.184 20 0 FGADRP [NH3+]CC(=O)N1CCC[C@H](C[N@@H+]2CCCCC[C@@H]2/C=C\c2ccccc2)C1 ZINC000414715281 499822191 /nfs/dbraw/zinc/82/21/91/499822191.db2.gz WINLPDHVKFMZFG-YVERFSONSA-N 2 0 355.526 3.142 20 0 FGADRP C[C@@H](C[N@@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2)c1ccc(C(F)(F)F)cc1 ZINC000414771719 499828950 /nfs/dbraw/zinc/82/89/50/499828950.db2.gz AHJROZYAJRHHOK-WMLDXEAASA-N 2 0 356.432 3.496 20 0 FGADRP C[C@H](C[N@@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2)c1ccc(C(F)(F)F)cc1 ZINC000414771718 499829101 /nfs/dbraw/zinc/82/91/01/499829101.db2.gz AHJROZYAJRHHOK-RHSMWYFYSA-N 2 0 356.432 3.496 20 0 FGADRP Cc1cc(C[NH+]2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)ccc1Br ZINC000414787494 499831290 /nfs/dbraw/zinc/83/12/90/499831290.db2.gz LZGHETUMDSEQFJ-SJORKVTESA-N 2 0 353.304 3.086 20 0 FGADRP C[N@@H+]1CCC[C@H]2CN(C(=O)c3cccc(C[NH+]4CCCCC4)c3)CC[C@H]21 ZINC000412188520 499832067 /nfs/dbraw/zinc/83/20/67/499832067.db2.gz BUWCHJMACUUAER-LEWJYISDSA-N 2 0 355.526 3.229 20 0 FGADRP C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000414849281 499837737 /nfs/dbraw/zinc/83/77/37/499837737.db2.gz XXUULAKYFXEREF-KGLIPLIRSA-N 2 0 373.419 3.282 20 0 FGADRP CCOc1cc(C[NH2+]C[C@H](C)C[NH3+])cc(Br)c1OC(F)F ZINC000414875210 499840155 /nfs/dbraw/zinc/84/01/55/499840155.db2.gz JNOLEBHQBHOKAX-SECBINFHSA-N 2 0 367.234 3.134 20 0 FGADRP CCc1ccccc1[C@@H]([NH3+])CNC(=O)Nc1cccc(OCC[NH+](C)C)c1 ZINC000414877022 499840409 /nfs/dbraw/zinc/84/04/09/499840409.db2.gz FGIDDQCXDQFSHR-FQEVSTJZSA-N 2 0 370.497 3.011 20 0 FGADRP COc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+][C@H](C)CC[NH3+])cc1 ZINC000414889859 499841958 /nfs/dbraw/zinc/84/19/58/499841958.db2.gz GSBHKTAMALATNZ-MRXNPFEDSA-N 2 0 350.466 3.375 20 0 FGADRP Cc1nn(-c2ccc(Br)cc2)c(C)c1C[NH2+]CCCC[NH3+] ZINC000414900565 499843072 /nfs/dbraw/zinc/84/30/72/499843072.db2.gz HPFHVBUIRIBAEO-UHFFFAOYSA-N 2 0 351.292 3.080 20 0 FGADRP C[C@H]1CCCN(C(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)[C@H]1C[NH3+] ZINC000414974029 499850352 /nfs/dbraw/zinc/85/03/52/499850352.db2.gz JQEDPOIYFGWHMO-PXNSSMCTSA-N 2 0 358.530 3.306 20 0 FGADRP CC[C@@H]([NH3+])C[NH2+][C@H](C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000414981412 499851302 /nfs/dbraw/zinc/85/13/02/499851302.db2.gz BQNFYCXICGMJHA-NXEZZACHSA-N 2 0 351.800 3.403 20 0 FGADRP [NH3+][C@H]1CCC[C@H](C[NH2+]Cc2cn(-c3cccc(Cl)c3Cl)nn2)C1 ZINC000414990691 499852078 /nfs/dbraw/zinc/85/20/78/499852078.db2.gz AKQJWJVLRTUAOO-RYUDHWBXSA-N 2 0 354.285 3.181 20 0 FGADRP C[C@@H](Cc1ccc(Br)cc1F)[NH2+]C[C@@H]1CCNCC1(F)F ZINC000414993449 499852501 /nfs/dbraw/zinc/85/25/01/499852501.db2.gz CIWDXYXEEJKLSC-JQWIXIFHSA-N 2 0 365.237 3.354 20 0 FGADRP C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+]C[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000414994896 499852916 /nfs/dbraw/zinc/85/29/16/499852916.db2.gz DZMFVIOBVZEINO-MGPQQGTHSA-N 2 0 373.419 3.409 20 0 FGADRP [NH3+]C[C@H]1CC[C@H]([NH2+]Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)C1 ZINC000415042502 499857318 /nfs/dbraw/zinc/85/73/18/499857318.db2.gz QYBYHMGRVOISJJ-YOEHRIQHSA-N 2 0 352.404 3.167 20 0 FGADRP Brc1cccc(OCC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)c1 ZINC000415080778 499861760 /nfs/dbraw/zinc/86/17/60/499861760.db2.gz MANCCIYOECGNII-GVDBMIGSSA-N 2 0 353.304 3.338 20 0 FGADRP Cc1ccc(C[NH2+]C[C@@H]2CCCN(C(=O)C[NH3+])C2)c(Oc2ccccc2)c1 ZINC000415088131 499862218 /nfs/dbraw/zinc/86/22/18/499862218.db2.gz USKXJBWREZDVAQ-SFHVURJKSA-N 2 0 367.493 3.074 20 0 FGADRP CCC[C@H]([NH2+]C[C@@H]1CCCN(C(=O)C[NH3+])C1)c1cccc(C(F)(F)F)c1 ZINC000415107240 499864556 /nfs/dbraw/zinc/86/45/56/499864556.db2.gz NNYACGMBEXXCBR-YOEHRIQHSA-N 2 0 371.447 3.334 20 0 FGADRP [NH3+][C@H]1CCCO[C@H]1C1CC[NH+](Cc2cccc(OC(F)(F)F)c2)CC1 ZINC000415111986 499865195 /nfs/dbraw/zinc/86/51/95/499865195.db2.gz RQYAMXJDKZQSHR-IRXDYDNUSA-N 2 0 358.404 3.304 20 0 FGADRP [NH3+][C@H]1CCCO[C@@H]1C1CC[NH+](Cc2cccc(OC(F)(F)F)c2)CC1 ZINC000415111982 499865292 /nfs/dbraw/zinc/86/52/92/499865292.db2.gz RQYAMXJDKZQSHR-DLBZAZTESA-N 2 0 358.404 3.304 20 0 FGADRP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](Cc2ccc(OCC(F)F)cc2)CC1 ZINC000415115138 499865346 /nfs/dbraw/zinc/86/53/46/499865346.db2.gz WHLNXYOTFBXSDC-MJGOQNOKSA-N 2 0 354.441 3.049 20 0 FGADRP COc1ccc(C[C@H](C)C[NH+]2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)cc1F ZINC000415123949 499866864 /nfs/dbraw/zinc/86/68/64/499866864.db2.gz LUIURVLSLYIYAK-KLHJMIIUSA-N 2 0 364.505 3.231 20 0 FGADRP [NH3+][C@@H]1CCO[C@@H](C2CC[NH+](Cc3ccccc3OCC(F)(F)F)CC2)C1 ZINC000415123569 499866881 /nfs/dbraw/zinc/86/68/81/499866881.db2.gz LGBXXHJWGRFFPY-SJLPKXTDSA-N 2 0 372.431 3.346 20 0 FGADRP [NH3+][C@@H]1CCO[C@H](C2CC[NH+](Cc3cc(Br)cs3)CC2)C1 ZINC000415124234 499866978 /nfs/dbraw/zinc/86/69/78/499866978.db2.gz MJDGXIXBJJEECU-HIFRSBDPSA-N 2 0 359.333 3.229 20 0 FGADRP CCCOc1ccc(C[NH+]2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)cc1OC ZINC000415127264 499867310 /nfs/dbraw/zinc/86/73/10/499867310.db2.gz QRMNQQBAZKSXFT-ICSRJNTNSA-N 2 0 362.514 3.202 20 0 FGADRP NC1(C[NH2+]Cc2cnc(C3CCC3)s2)CC[NH+](Cc2ccccc2)CC1 ZINC000415131736 499868028 /nfs/dbraw/zinc/86/80/28/499868028.db2.gz JVABRKYYLKGFEQ-UHFFFAOYSA-N 2 0 370.566 3.494 20 0 FGADRP CC(C)[N@@H+]1CCc2nc(CN3CC[NH2+]C[C@@H]3c3ccccc3)sc2C1 ZINC000415131932 499868137 /nfs/dbraw/zinc/86/81/37/499868137.db2.gz STOPQKFGXSUTAA-GOSISDBHSA-N 2 0 356.539 3.056 20 0 FGADRP CC1CC[NH+](CCc2cccc(NC(=O)N3C[C@H]4C[NH2+]CC[C@@H]4C3)c2)CC1 ZINC000415389472 499890999 /nfs/dbraw/zinc/89/09/99/499890999.db2.gz JAQNJBIHTCMWFR-WOJBJXKFSA-N 2 0 370.541 3.034 20 0 FGADRP C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)N[C@@H](C[NH3+])c1ccc2ccccc2c1 ZINC000582231462 506165190 /nfs/dbraw/zinc/16/51/90/506165190.db2.gz XTWMPOGEZLAGCH-TYCQWZJGSA-N 2 0 366.509 3.108 20 0 FGADRP C[NH+](C)[C@@H]1CCc2cc(NC(=O)N3CCC([C@H]4CCC[NH2+]4)CC3)ccc21 ZINC000415786195 499918756 /nfs/dbraw/zinc/91/87/56/499918756.db2.gz JPHKBXUCGWVLTD-WOJBJXKFSA-N 2 0 356.514 3.231 20 0 FGADRP Cc1ccc([C@H](CNC(=O)Nc2ccc3c(c2)C[NH2+]CC3)[NH+]2CCCC2)o1 ZINC000415883414 499924069 /nfs/dbraw/zinc/92/40/69/499924069.db2.gz NKVGTRNBVWXTCK-IBGZPJMESA-N 2 0 368.481 3.192 20 0 FGADRP C[NH2+]Cc1ccccc1NC(=O)NC[C@H](c1ccc(C)o1)[NH+]1CCCC1 ZINC000415895505 499925118 /nfs/dbraw/zinc/92/51/18/499925118.db2.gz BFCGJWOIHWPYBP-GOSISDBHSA-N 2 0 356.470 3.266 20 0 FGADRP CCc1ccc([C@@H](CNC(=O)Nc2ccccc2C[NH2+]C)[NH+](C)C)cc1 ZINC000415894983 499925301 /nfs/dbraw/zinc/92/53/01/499925301.db2.gz ATVBUASCTPTLMM-HXUWFJFHSA-N 2 0 354.498 3.393 20 0 FGADRP CC[C@@H](CNC(=O)Nc1ccccc1C[NH2+]C)[N@@H+]1CCc2ccccc2C1 ZINC000415907061 499926809 /nfs/dbraw/zinc/92/68/09/499926809.db2.gz ZLQOLQZLWPMGSF-FQEVSTJZSA-N 2 0 366.509 3.364 20 0 FGADRP C[NH2+]Cc1ccccc1NC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000415909380 499927208 /nfs/dbraw/zinc/92/72/08/499927208.db2.gz FWSSYRGZDKTJTJ-LJQANCHMSA-N 2 0 352.482 3.144 20 0 FGADRP CC[NH2+]Cc1cccc(NC(=O)N[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000415910072 499927443 /nfs/dbraw/zinc/92/74/43/499927443.db2.gz AVNFCQBLWZYJSI-UTKZUKDTSA-N 2 0 366.509 3.438 20 0 FGADRP C[NH2+]Cc1ccccc1NC(=O)N[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000415913636 499927693 /nfs/dbraw/zinc/92/76/93/499927693.db2.gz QBTSJRDWLQCZNT-VQIMIIECSA-N 2 0 352.482 3.191 20 0 FGADRP C[NH2+]Cc1ccccc1NC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000415914030 499927865 /nfs/dbraw/zinc/92/78/65/499927865.db2.gz UBTKEYWRHSUKQO-YLJYHZDGSA-N 2 0 366.509 3.438 20 0 FGADRP C[NH2+]Cc1cccc(NC(=O)NCC[C@@H](C)[N@H+](C)Cc2ccccc2)c1 ZINC000415946136 499931755 /nfs/dbraw/zinc/93/17/55/499931755.db2.gz SSQNOPIOOZKDAT-QGZVFWFLSA-N 2 0 354.498 3.438 20 0 FGADRP CC[NH2+]Cc1ccccc1NC(=O)NCC[N@H+](C)Cc1ccc(F)cc1 ZINC000415953844 499933119 /nfs/dbraw/zinc/93/31/19/499933119.db2.gz LHWFOGUHGMFYLE-UHFFFAOYSA-N 2 0 358.461 3.189 20 0 FGADRP CC[NH+]1CCN(c2ccc(NC(=O)Nc3ccc(C[NH3+])cc3)c(C)c2)CC1 ZINC000415971668 499935723 /nfs/dbraw/zinc/93/57/23/499935723.db2.gz GOGMOHPRBQKMMK-UHFFFAOYSA-N 2 0 367.497 3.240 20 0 FGADRP C[NH2+]Cc1ccc(NC(=O)N[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)cc1 ZINC000415973115 499935869 /nfs/dbraw/zinc/93/58/69/499935869.db2.gz NTGVLCNOJDDPFC-OXJNMPFZSA-N 2 0 352.482 3.191 20 0 FGADRP CC[NH+]1CCC(CCNC(=O)Nc2cc(C[NH3+])cc(C(F)(F)F)c2)CC1 ZINC000415976967 499936231 /nfs/dbraw/zinc/93/62/31/499936231.db2.gz WBKYIAXQRUGDJF-UHFFFAOYSA-N 2 0 372.435 3.408 20 0 FGADRP CN(C(=O)Nc1ccc(C[NH3+])cc1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000415980238 499936936 /nfs/dbraw/zinc/93/69/36/499936936.db2.gz SDBNIXYTUBCUFF-HXUWFJFHSA-N 2 0 352.482 3.274 20 0 FGADRP C[NH2+]Cc1ccc(NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)cc1 ZINC000415984170 499937395 /nfs/dbraw/zinc/93/73/95/499937395.db2.gz OYCCYUJDRGJDKT-UZLBHIALSA-N 2 0 352.482 3.191 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000415996912 499939157 /nfs/dbraw/zinc/93/91/57/499939157.db2.gz OGTPGOGZDGUQIE-QGZVFWFLSA-N 2 0 364.493 3.418 20 0 FGADRP CC[NH+](CC)Cc1cccc(CNC(=O)Nc2ccc3c(c2)C[NH2+]C3)c1 ZINC000416000333 499939594 /nfs/dbraw/zinc/93/95/94/499939594.db2.gz XCRPZNUJJSYNFC-UHFFFAOYSA-N 2 0 352.482 3.453 20 0 FGADRP C[NH+](C)CCc1ccc(NC(=O)CC[N@@H+]2CCc3ccccc3C2)cc1 ZINC000416151800 499960481 /nfs/dbraw/zinc/96/04/81/499960481.db2.gz SKMZLWOMZPYBPK-UHFFFAOYSA-N 2 0 351.494 3.178 20 0 FGADRP CCCC[N@H+](C)CCNC(=O)N[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000428982865 499972952 /nfs/dbraw/zinc/97/29/52/499972952.db2.gz OPYVYBOUEFQKCA-AZUAARDMSA-N 2 0 360.546 3.071 20 0 FGADRP Cc1oc(-c2ccccc2)nc1C[NH+]1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000573310160 506168377 /nfs/dbraw/zinc/16/83/77/506168377.db2.gz HRYKYFNDNMPYSG-QUCCMNQESA-N 2 0 355.482 3.368 20 0 FGADRP C[NH+](C)[C@@H](CC(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000416214410 499983195 /nfs/dbraw/zinc/98/31/95/499983195.db2.gz BLAINYMJMCLCGC-UNMCSNQZSA-N 2 0 365.521 3.318 20 0 FGADRP C[NH+](C)[C@H](CC(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000416214407 499983843 /nfs/dbraw/zinc/98/38/43/499983843.db2.gz BLAINYMJMCLCGC-IFMALSPDSA-N 2 0 365.521 3.318 20 0 FGADRP COCc1cccc(OCC2(C[N@@H+]3CC[C@@]4(CC[NH+](C)C4)C3)CCC2)c1 ZINC000429044346 499993600 /nfs/dbraw/zinc/99/36/00/499993600.db2.gz UGLAEWDHZFXKRJ-OAQYLSRUSA-N 2 0 358.526 3.410 20 0 FGADRP C[C@@H]([NH3+])C1CCN(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCC(C)CC2)CC1 ZINC000417215830 500007163 /nfs/dbraw/zinc/00/71/63/500007163.db2.gz NXFKSHWQZRAPQL-NQIIRXRSSA-N 2 0 372.557 3.228 20 0 FGADRP C[C@H]([NH3+])C1CCN(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCC(C)CC2)CC1 ZINC000417215831 500007684 /nfs/dbraw/zinc/00/76/84/500007684.db2.gz NXFKSHWQZRAPQL-RXVVDRJESA-N 2 0 372.557 3.228 20 0 FGADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)NCc2ccc([C@H](C)[NH3+])cc2)C1 ZINC000417217515 500008052 /nfs/dbraw/zinc/00/80/52/500008052.db2.gz DKFDXLBEEPSRLG-CSODHUTKSA-N 2 0 366.509 3.341 20 0 FGADRP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N[C@@H](CCC[NH3+])c1ccccc1 ZINC000417256444 500020534 /nfs/dbraw/zinc/02/05/34/500020534.db2.gz SDSOELNZQCFGQQ-RMJJICAUSA-N 2 0 360.546 3.132 20 0 FGADRP CC[NH+]1CCC(N2CCC[N@H+](C[C@@H](C)c3ccc(OC)cc3)CC2)CC1 ZINC000421372983 500029796 /nfs/dbraw/zinc/02/97/96/500029796.db2.gz LRDFWLRTCCLFPY-LJQANCHMSA-N 2 0 359.558 3.291 20 0 FGADRP CC(C)[C@@](C)(C[NH3+])NC(=O)c1cccc(C[N@H+](C)Cc2ccccc2)c1 ZINC000429266583 500037681 /nfs/dbraw/zinc/03/76/81/500037681.db2.gz JDQGDJWQPIVCFG-JOCHJYFZSA-N 2 0 353.510 3.422 20 0 FGADRP CN(CC(C)(C)C[NH3+])C(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000417359384 500048593 /nfs/dbraw/zinc/04/85/93/500048593.db2.gz VTVSJTRRXKJAKO-UHFFFAOYSA-N 2 0 360.546 3.189 20 0 FGADRP C[NH+](CC[C@@H]1CCCO1)Cc1cncc(C[N@H+](C)CC[C@H]2CCCO2)c1 ZINC000579435872 506173383 /nfs/dbraw/zinc/17/33/83/506173383.db2.gz KWBLWHMEGYEWST-OYRHEFFESA-N 2 0 361.530 3.083 20 0 FGADRP Cc1ccc([C@H](CNC(=O)NCc2ccc([C@@H](C)[NH3+])cc2)[NH+]2CCCC2)o1 ZINC000417414676 500066680 /nfs/dbraw/zinc/06/66/80/500066680.db2.gz DJJRZJFPPXPDRZ-APWZRJJASA-N 2 0 370.497 3.244 20 0 FGADRP C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)NCc2cccc(C[NH+]3CCC(C)CC3)c2)C1 ZINC000417465770 500082152 /nfs/dbraw/zinc/08/21/52/500082152.db2.gz IPCGTQGLQWDGGM-WIYYLYMNSA-N 2 0 372.557 3.187 20 0 FGADRP COC(=O)[C@H](CC[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)c1ccccc1 ZINC000425419342 500100539 /nfs/dbraw/zinc/10/05/39/500100539.db2.gz KYVIHJKOFCHZOX-HMXCVIKNSA-N 2 0 356.510 3.282 20 0 FGADRP C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)[C@H]1CCN(C(C)(C)C)C1=O ZINC000425458628 500112101 /nfs/dbraw/zinc/11/21/01/500112101.db2.gz MQSLAZIDBVFOTG-IBGZPJMESA-N 2 0 358.530 3.019 20 0 FGADRP CCOC(=O)C1([C@H](C)[NH2+]Cc2cc3c(s2)CCCC3)CC[NH2+]CC1 ZINC000573355064 506178348 /nfs/dbraw/zinc/17/83/48/506178348.db2.gz FIQARVQXCLJUCL-AWEZNQCLSA-N 2 0 350.528 3.038 20 0 FGADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H](O)COc2ccc(C(C)(C)C)cc2)[C@H](C)C1 ZINC000429785224 500144896 /nfs/dbraw/zinc/14/48/96/500144896.db2.gz LLCYZXOAQFBAPO-LMNJBCLMSA-N 2 0 362.558 3.386 20 0 FGADRP C[C@H]([NH2+]C1(CNC(=O)NCCC[C@@H]2CCC[NH2+]2)CCCC1)c1ccccc1 ZINC000417701381 500151563 /nfs/dbraw/zinc/15/15/63/500151563.db2.gz JKZHDVCMTVDUBN-ICSRJNTNSA-N 2 0 372.557 3.481 20 0 FGADRP COc1ccc([C@@H](C)[NH2+]Cc2ccc(C(=O)NCC[NH+](C)C)cc2)c(C)c1 ZINC000414093604 500152251 /nfs/dbraw/zinc/15/22/51/500152251.db2.gz MKWPLDIBBZTTKL-QGZVFWFLSA-N 2 0 369.509 3.146 20 0 FGADRP CCC(CC)(CNC(=O)NCC[C@@H]1CC[NH2+]C1)[NH2+][C@@H](C)c1ccccc1 ZINC000417702737 500152571 /nfs/dbraw/zinc/15/25/71/500152571.db2.gz KXNSDZGPPXEVFC-ROUUACIJSA-N 2 0 360.546 3.195 20 0 FGADRP C[C@H]([NH2+]C1(CNC(=O)NC2(C)CC[NH2+]CC2)CCCC1)c1ccccc1 ZINC000417704759 500153152 /nfs/dbraw/zinc/15/31/52/500153152.db2.gz MQTYVUXCFWXYPK-KRWDZBQOSA-N 2 0 358.530 3.091 20 0 FGADRP C[C@H](CCCC[NH3+])NC(=O)NCC1([NH2+][C@H](C)c2ccccc2)CCCC1 ZINC000417710108 500153961 /nfs/dbraw/zinc/15/39/61/500153961.db2.gz UHSNISMLFSQRAX-QZTJIDSGSA-N 2 0 360.546 3.467 20 0 FGADRP CCC[NH2+]CCNC(=O)NCc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000416945783 500163696 /nfs/dbraw/zinc/16/36/96/500163696.db2.gz AJNYUVOACMIIRL-UHFFFAOYSA-N 2 0 368.525 3.214 20 0 FGADRP CCC(CC)[C@H](CNC(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1)[NH+]1CCCC1 ZINC000416958452 500166142 /nfs/dbraw/zinc/16/61/42/500166142.db2.gz PBDWTTFDSRIWPV-PMACEKPBSA-N 2 0 364.578 3.061 20 0 FGADRP CCCN1C[C@H](C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1=O ZINC000421874841 500167446 /nfs/dbraw/zinc/16/74/46/500167446.db2.gz IPGRFTHKCTYBQH-BURNTYAHSA-N 2 0 355.526 3.030 20 0 FGADRP C[C@@H]([NH3+])C1CCN(C(=O)NCc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)CC1 ZINC000416968896 500169405 /nfs/dbraw/zinc/16/94/05/500169405.db2.gz BADPLZOGYSNKPW-QZTJIDSGSA-N 2 0 372.557 3.330 20 0 FGADRP CCCN(C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C)[C@H]1CC[NH2+]C1 ZINC000416978466 500173389 /nfs/dbraw/zinc/17/33/89/500173389.db2.gz RJJWSCBUZHFYQD-RXVVDRJESA-N 2 0 372.557 3.345 20 0 FGADRP C[N@H+](CCNC(=O)N[C@@H](CCC[NH3+])c1ccccc1)Cc1ccc(F)cc1 ZINC000417826453 500180041 /nfs/dbraw/zinc/18/00/41/500180041.db2.gz OISGXCVDAVNARR-FQEVSTJZSA-N 2 0 372.488 3.037 20 0 FGADRP CC[NH2+]CC1CCN(C(=O)NC[C@@H](c2ccsc2)[NH+](CC)CC)CC1 ZINC000416998583 500180156 /nfs/dbraw/zinc/18/01/56/500180156.db2.gz BDLFTRXTLCPSSM-SFHVURJKSA-N 2 0 366.575 3.162 20 0 FGADRP C[NH2+][C@H](CC(C)(C)C)C(=O)N1CCCC[C@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000417841525 500181863 /nfs/dbraw/zinc/18/18/63/500181863.db2.gz XMNWFXPYAKTXFP-AQNXPRMDSA-N 2 0 359.558 3.209 20 0 FGADRP CCCC[N@H+](CC)Cc1cccc(CNC(=O)NCC2=CC[NH2+]CC2)c1 ZINC000417876104 500189342 /nfs/dbraw/zinc/18/93/42/500189342.db2.gz MTNMCZFPCUXCEY-UHFFFAOYSA-N 2 0 358.530 3.028 20 0 FGADRP CCCC[N@H+](CC)Cc1cccc(CNC(=O)N[C@H]2CC[C@H](C[NH3+])C2)c1 ZINC000417874414 500189405 /nfs/dbraw/zinc/18/94/05/500189405.db2.gz KDYHKPABIZCBKW-PXNSSMCTSA-N 2 0 360.546 3.235 20 0 FGADRP C[NH+](C)C1CCC(NC(=O)[C@H]2CCC[N@H+](Cc3cccc(F)c3)C2)CC1 ZINC000422004622 500195718 /nfs/dbraw/zinc/19/57/18/500195718.db2.gz GZYVRDHUXBBXID-KKXNLOMOSA-N 2 0 361.505 3.027 20 0 FGADRP C[C@@H]1C[C@H](CCNC(=O)NC[C@H]2CCC[C@@H]([NH3+])C2)C[N@@H+]1Cc1ccccc1 ZINC000417932028 500199856 /nfs/dbraw/zinc/19/98/56/500199856.db2.gz WKYCTSXIYRBYBB-BVOGOJNSSA-N 2 0 372.557 3.104 20 0 FGADRP C[C@H](NC(=O)N[C@H](C[NH3+])C1CCCCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000417984008 500209306 /nfs/dbraw/zinc/20/93/06/500209306.db2.gz CCFIKUODZPJMSJ-IOMROCGXSA-N 2 0 372.557 3.104 20 0 FGADRP CC(C)N1CC[C@@H](NC(=O)NC(C)(C)C[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000418008616 500213783 /nfs/dbraw/zinc/21/37/83/500213783.db2.gz RLJXGGBABNBWBB-HZPDHXFCSA-N 2 0 370.900 3.039 20 0 FGADRP CC[NH2+]CC1CCN(C(=O)N[C@H](C[N@H+](C)Cc2ccccc2)C(C)C)CC1 ZINC000418037024 500218273 /nfs/dbraw/zinc/21/82/73/500218273.db2.gz QOBXKJVXSBXNAL-OAQYLSRUSA-N 2 0 374.573 3.174 20 0 FGADRP O=C(NCC[NH2+]C1CCCCCC1)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000418099641 500229572 /nfs/dbraw/zinc/22/95/72/500229572.db2.gz CGPWBSUJIZTHLH-FQEVSTJZSA-N 2 0 372.557 3.120 20 0 FGADRP C[C@H]([NH3+])c1ccc(CNC(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000418105973 500230424 /nfs/dbraw/zinc/23/04/24/500230424.db2.gz MHMLHOULZMCWSR-FXAWDEMLSA-N 2 0 366.509 3.028 20 0 FGADRP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NC[C@H]1CCC[C@H]([NH3+])C1 ZINC000418153811 500238066 /nfs/dbraw/zinc/23/80/66/500238066.db2.gz JGQHCTYEAZPXEG-UFYCRDLUSA-N 2 0 372.557 3.104 20 0 FGADRP CCCN(CC[NH+]1CCCCCC1)C(=O)NC1CCC([NH+](C)C)CC1 ZINC000422258033 500242756 /nfs/dbraw/zinc/24/27/56/500242756.db2.gz JNPRZAMIOYHQQH-UHFFFAOYSA-N 2 0 352.567 3.157 20 0 FGADRP Cc1ccccc1[C@H]([C@H](C)NC(=O)N(CC[NH3+])Cc1ccccc1)[NH+](C)C ZINC000418175994 500242753 /nfs/dbraw/zinc/24/27/53/500242753.db2.gz GNSKZJUJONQUIM-RXVVDRJESA-N 2 0 368.525 3.157 20 0 FGADRP CCc1ccc([C@H](CNC(=O)N2CC[C@@H]([C@@H](C)[NH3+])C2)[NH+](CC)CC)cc1 ZINC000418223745 500251838 /nfs/dbraw/zinc/25/18/38/500251838.db2.gz YZLLRCORUTZWBW-AHRSYUTCSA-N 2 0 360.546 3.011 20 0 FGADRP CSc1ccc([C@H](CNC(=O)NC[C@H]([NH3+])c2ccccc2)[NH+](C)C)cc1 ZINC000418228325 500252776 /nfs/dbraw/zinc/25/27/76/500252776.db2.gz DSUBUFJBMBIBKK-OALUTQOASA-N 2 0 372.538 3.010 20 0 FGADRP CSc1ccc([C@@H](CNC(=O)NC[C@@H]([NH3+])c2ccccc2)[NH+](C)C)cc1 ZINC000418228327 500252999 /nfs/dbraw/zinc/25/29/99/500252999.db2.gz DSUBUFJBMBIBKK-RTBURBONSA-N 2 0 372.538 3.010 20 0 FGADRP C[C@@H](C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)c1ccc(Cl)s1 ZINC000426267817 500254671 /nfs/dbraw/zinc/25/46/71/500254671.db2.gz QIBBRRVZIYAADI-CQSZACIVSA-N 2 0 359.967 3.237 20 0 FGADRP CC[NH2+]CC1CC[NH+]([C@@H](C)C(=O)Nc2ccc(OC(F)(F)F)cc2)CC1 ZINC000430583069 500258343 /nfs/dbraw/zinc/25/83/43/500258343.db2.gz LSFVTPYOOIOSLT-ZDUSSCGKSA-N 2 0 373.419 3.234 20 0 FGADRP C[C@H](NC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)[C@@H]1CCC[NH2+]C1 ZINC000418311196 500260629 /nfs/dbraw/zinc/26/06/29/500260629.db2.gz LMRCANDHKNZKRF-KOUHRCEDSA-N 2 0 372.557 3.069 20 0 FGADRP [NH3+]CCCNC(=O)N1CCCCC[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000418311910 500260784 /nfs/dbraw/zinc/26/07/84/500260784.db2.gz NBMJYYFBSFUPRQ-OAQYLSRUSA-N 2 0 372.557 3.202 20 0 FGADRP C[C@H]([NH3+])[C@H]1CCC[N@H+](CCC(=O)N[C@@H](c2cccs2)c2ccccc2)C1 ZINC000430601407 500260836 /nfs/dbraw/zinc/26/08/36/500260836.db2.gz TZWUSUISPVSBRL-DJPFJPOOSA-N 2 0 371.550 3.403 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)NC[C@@H]([NH3+])c2ccccc2)CC1 ZINC000418421751 500274238 /nfs/dbraw/zinc/27/42/38/500274238.db2.gz CUUDNFGYPYFEDH-WIYYLYMNSA-N 2 0 372.557 3.373 20 0 FGADRP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000418427863 500275372 /nfs/dbraw/zinc/27/53/72/500275372.db2.gz OHENAQLYYLGELV-QHAWAJNXSA-N 2 0 372.557 3.058 20 0 FGADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CC(C)(C)N1CCc2ccccc2C1 ZINC000422701036 500287200 /nfs/dbraw/zinc/28/72/00/500287200.db2.gz HWQVSOKRFDWCNB-MRXNPFEDSA-N 2 0 352.526 3.336 20 0 FGADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+][C@@H]1CCN(c2ccccc2Br)C1 ZINC000422703277 500287886 /nfs/dbraw/zinc/28/78/86/500287886.db2.gz HKXCIKFXNUCWAN-IIAWOOMASA-N 2 0 352.320 3.006 20 0 FGADRP COCC[N@H+](C)CC[C@H](N[C@H]1C[C@@H]([NH3+])c2ccccc21)c1ccccc1 ZINC000422707518 500288001 /nfs/dbraw/zinc/28/80/01/500288001.db2.gz AGQHYBXSFIAMJO-FSSWDIPSSA-N 2 0 353.510 3.430 20 0 FGADRP c1cc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)cc(COC2CCOCC2)c1 ZINC000422714346 500288364 /nfs/dbraw/zinc/28/83/64/500288364.db2.gz QWRUDNLOUWGDKL-YPAWHYETSA-N 2 0 358.526 3.393 20 0 FGADRP CN(C)C[C@H](Cc1ccccc1)[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422713851 500288577 /nfs/dbraw/zinc/28/85/77/500288577.db2.gz KJEUSGAIHSNONN-WPYKKVEZSA-N 2 0 365.521 3.005 20 0 FGADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000422717395 500289201 /nfs/dbraw/zinc/28/92/01/500289201.db2.gz VPXLPTNGEQWKNT-ICSRJNTNSA-N 2 0 361.599 3.286 20 0 FGADRP c1ccc(CC[N@@H+]2CC[C@H](C[NH2+][C@@H]3CCC[C@H]3[C@H]3CCCC[NH2+]3)C2)cc1 ZINC000422721866 500290166 /nfs/dbraw/zinc/29/01/66/500290166.db2.gz WFDBEUMCWQOURP-KAOXLYBCSA-N 3 0 355.570 3.451 20 0 FGADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+][C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1 ZINC000422731693 500291214 /nfs/dbraw/zinc/29/12/14/500291214.db2.gz OAMDKFDRYGZYTF-JKIFEVAISA-N 2 0 357.420 3.142 20 0 FGADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+][C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000422738282 500292247 /nfs/dbraw/zinc/29/22/47/500292247.db2.gz YJOSGTIIHFVKGL-ZTFGCOKTSA-N 2 0 355.448 3.257 20 0 FGADRP CN(C)[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)c1c(F)cccc1F ZINC000422745981 500292940 /nfs/dbraw/zinc/29/29/40/500292940.db2.gz NEMSZNCAMGVWFS-JEDBISTDSA-N 2 0 351.485 3.468 20 0 FGADRP COc1cc(C[NH2+][C@@H]2CCOC[C@@H]2[C@H](C)[NH3+])ccc1OCc1ccccc1 ZINC000422760146 500295171 /nfs/dbraw/zinc/29/51/71/500295171.db2.gz GESGNLXGBJBWCI-PWIZWCRZSA-N 2 0 370.493 3.116 20 0 FGADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C[C@H](CO)Cc1c(F)cccc1Cl ZINC000422798930 500298953 /nfs/dbraw/zinc/29/89/53/500298953.db2.gz UHGHQJREQTUIID-TZMCWYRMSA-N 2 0 365.880 3.143 20 0 FGADRP CCc1ccc([C@@H]([NH2+][C@H](C)CCC[NH3+])c2cccc(S(C)(=O)=O)c2)cc1 ZINC000422797877 500299043 /nfs/dbraw/zinc/29/90/43/500299043.db2.gz OWCIISZWSLKUKQ-IIBYNOLFSA-N 2 0 374.550 3.459 20 0 FGADRP CCOC(=O)C1([C@@H](C)[NH2+][C@@H](Cc2ccc(F)cc2)C(C)C)CC[NH2+]CC1 ZINC000422805492 500300476 /nfs/dbraw/zinc/30/04/76/500300476.db2.gz JFGLKLHRJJBWDM-APWZRJJASA-N 2 0 364.505 3.304 20 0 FGADRP Cc1cccc(N2CC[NH+](CCCC[NH2+][C@@H](C)[C@@H]3CCCC[NH2+]3)CC2)c1 ZINC000422812481 500301497 /nfs/dbraw/zinc/30/14/97/500301497.db2.gz QKYINDBXCGCPME-UNMCSNQZSA-N 3 0 358.574 3.017 20 0 FGADRP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]CCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000422817993 500302207 /nfs/dbraw/zinc/30/22/07/500302207.db2.gz JBMWALVUYQLAEJ-VXKWHMMOSA-N 3 0 359.558 3.307 20 0 FGADRP C[NH+](C)CCc1ccc(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000579491088 506188076 /nfs/dbraw/zinc/18/80/76/506188076.db2.gz QOONBWFGNFRPIA-UHFFFAOYSA-N 2 0 365.521 3.317 20 0 FGADRP O=C1CCCN1Cc1ccccc1C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000422828737 500303325 /nfs/dbraw/zinc/30/33/25/500303325.db2.gz GQOMZXHREUBRAR-PWRODBHTSA-N 2 0 355.526 3.209 20 0 FGADRP [NH3+]CCC[C@H](NC(=O)N1CCC[C@H]1C[NH+]1CCCCC1)c1ccccc1 ZINC000418678277 500306691 /nfs/dbraw/zinc/30/66/91/500306691.db2.gz SLGGANNHISTCRI-PMACEKPBSA-N 2 0 358.530 3.127 20 0 FGADRP CCOC(=O)C1([C@@H](C)[NH2+][C@H](C)c2nc(C(C)(C)C)cs2)CC[NH2+]CC1 ZINC000422864213 500307495 /nfs/dbraw/zinc/30/74/95/500307495.db2.gz UPTQLAHPDUQWEF-ZIAGYGMSSA-N 2 0 367.559 3.413 20 0 FGADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000422873221 500308131 /nfs/dbraw/zinc/30/81/31/500308131.db2.gz KOKCPEZXXPOYMY-NHCYSSNCSA-N 2 0 350.816 3.048 20 0 FGADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]CC(C)(C)c1ccc(Br)cc1 ZINC000422884606 500310390 /nfs/dbraw/zinc/31/03/90/500310390.db2.gz SEAKFMFAPBMILL-APHBMKBZSA-N 2 0 355.320 3.069 20 0 FGADRP C[C@H]([NH3+])[C@H](C)NC(=O)N1CC(C)(C)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000418711633 500310697 /nfs/dbraw/zinc/31/06/97/500310697.db2.gz WNLHCNPYIWDKRC-ZWOKBUDYSA-N 2 0 372.557 3.054 20 0 FGADRP C[C@@H]1CCC[N@H+](CCCC[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000422886521 500310969 /nfs/dbraw/zinc/31/09/69/500310969.db2.gz WTMVVDQJORUJQY-KAGYGMCKSA-N 3 0 357.542 3.344 20 0 FGADRP C[C@H](CCCC[NH3+])NC(=O)N1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000418716477 500311741 /nfs/dbraw/zinc/31/17/41/500311741.db2.gz ZCRWSJUWVTZYFY-GOSISDBHSA-N 2 0 360.546 3.058 20 0 FGADRP C[NH+](C)[C@H](CN[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)C1CCCCC1 ZINC000422892876 500311791 /nfs/dbraw/zinc/31/17/91/500311791.db2.gz NZWFDQWLUXIRRP-VWPQPMDRSA-N 2 0 357.542 3.342 20 0 FGADRP C[C@H]([NH3+])C1CC[NH+](CC(=O)N[C@H](c2ccc(F)cc2)C2CCCC2)CC1 ZINC000430945905 500311969 /nfs/dbraw/zinc/31/19/69/500311969.db2.gz YNWYHYNEWYZESG-BTYIYWSLSA-N 2 0 361.505 3.232 20 0 FGADRP C[C@H]([NH2+]C1CCN(Cc2ccc(Br)cc2)CC1)[C@H]1CCC[NH2+]1 ZINC000422895681 500312137 /nfs/dbraw/zinc/31/21/37/500312137.db2.gz WQCNERGSVPMASU-KBXCAEBGSA-N 2 0 366.347 3.144 20 0 FGADRP CC[NH+](CC)CCOc1ccccc1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000422895620 500312495 /nfs/dbraw/zinc/31/24/95/500312495.db2.gz WJPBAXPNNCMMOU-NJDAHSKKSA-N 3 0 359.558 3.418 20 0 FGADRP COc1ccc(Cl)cc1N1CC[C@H]([NH2+][C@@H](C)c2ccc(C[NH3+])nc2C)C1 ZINC000422901357 500313591 /nfs/dbraw/zinc/31/35/91/500313591.db2.gz BVBRREIYLJMUFM-YOEHRIQHSA-N 2 0 374.916 3.440 20 0 FGADRP COc1ccc(OCCC[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422900650 500314072 /nfs/dbraw/zinc/31/40/72/500314072.db2.gz QVBIXDRGDGLCEH-UNMCSNQZSA-N 2 0 368.477 3.310 20 0 FGADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CCc1nc2ccccc2n1C(F)F ZINC000422906751 500314669 /nfs/dbraw/zinc/31/46/69/500314669.db2.gz AMZMZCJFAPXYER-GFCCVEGCSA-N 2 0 359.424 3.487 20 0 FGADRP COc1ccc(Cl)cc1N1CC[C@H]([NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000422911865 500315255 /nfs/dbraw/zinc/31/52/55/500315255.db2.gz UPJACYFGNOZODP-XLAORIBOSA-N 2 0 363.933 3.438 20 0 FGADRP CCOC(=O)C1([C@@H](C)[NH2+]Cc2ccccc2OC2CCC2)CC[NH2+]CC1 ZINC000422913194 500315505 /nfs/dbraw/zinc/31/55/05/500315505.db2.gz PHJUMUCQNFFSNQ-MRXNPFEDSA-N 2 0 360.498 3.029 20 0 FGADRP CCc1nc(CN2CCC(C[NH2+]C3CCC(C[NH3+])CC3)CC2)cs1 ZINC000422913613 500316484 /nfs/dbraw/zinc/31/64/84/500316484.db2.gz QLYSCOYELIZOKD-UHFFFAOYSA-N 2 0 350.576 3.025 20 0 FGADRP CCOC(=O)C1([C@H](C)[NH2+][C@H]2C[C@H](OCC)C23CCCCC3)CC[NH2+]CC1 ZINC000422921273 500317215 /nfs/dbraw/zinc/31/72/15/500317215.db2.gz PLGUHILYYLDPPF-BZSNNMDCSA-N 2 0 366.546 3.025 20 0 FGADRP C[C@@H]1C[C@@H](N(C)C(=O)NCCC[C@@H]2CCC[NH2+]2)CC[N@@H+]1Cc1ccccc1 ZINC000418750128 500317814 /nfs/dbraw/zinc/31/78/14/500317814.db2.gz NNZRQVQOLIBXMN-GIVPXCGWSA-N 2 0 372.557 3.213 20 0 FGADRP CC(C)(C)CC(C)(C)[NH+]1CCN(C(=O)NCCC[C@H]2CCC[NH2+]2)CC1 ZINC000418755823 500318857 /nfs/dbraw/zinc/31/88/57/500318857.db2.gz XRKCIDXUFRELOX-QGZVFWFLSA-N 2 0 352.567 3.061 20 0 FGADRP CCOC(=O)C1([C@@H](C)[NH2+]CCCc2ccc(Cl)cc2)CC[NH2+]CC1 ZINC000422949301 500321900 /nfs/dbraw/zinc/32/19/00/500321900.db2.gz UWSKRUHHFFCUDB-OAHLLOKOSA-N 2 0 352.906 3.184 20 0 FGADRP O=C(C[NH+]1CCC2(CC[NH2+]C2)CC1)N[C@H](c1cccs1)c1ccccc1 ZINC000431014810 500323276 /nfs/dbraw/zinc/32/32/76/500323276.db2.gz PPNOGKDCMBZHDH-FQEVSTJZSA-N 2 0 369.534 3.029 20 0 FGADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1ccc(OCCOc2ccccc2)nc1 ZINC000422971893 500325538 /nfs/dbraw/zinc/32/55/38/500325538.db2.gz KAXJSSNEJNZVCM-FXAWDEMLSA-N 2 0 355.482 3.017 20 0 FGADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1ccc(N2CCc3ccccc3C2)nc1 ZINC000422972409 500325637 /nfs/dbraw/zinc/32/56/37/500325637.db2.gz LNBMCRKOHSDMRA-UTKZUKDTSA-N 2 0 350.510 3.122 20 0 FGADRP COc1ccc(-c2nc(C[NH+]3CCC4(CC[NH2+]C4)CC3)cs2)c(OC)c1 ZINC000431032272 500326162 /nfs/dbraw/zinc/32/61/62/500326162.db2.gz IPVLNZIZBZBXRM-UHFFFAOYSA-N 2 0 373.522 3.403 20 0 FGADRP C[C@H](NC(=O)C[NH+]1CCC2(CC[NH2+]C2)CC1)c1ccc(Cl)c(Cl)c1 ZINC000431032803 500326517 /nfs/dbraw/zinc/32/65/17/500326517.db2.gz LZBUILKQTADDLL-ZDUSSCGKSA-N 2 0 370.324 3.246 20 0 FGADRP C[C@H](NC(=O)[C@H](C)[NH+]1CCC2(CC[NH2+]C2)CC1)c1cc2ccccc2o1 ZINC000431040498 500327251 /nfs/dbraw/zinc/32/72/51/500327251.db2.gz MZBIIJGYBDMROB-HOTGVXAUSA-N 2 0 355.482 3.074 20 0 FGADRP CCOC(=O)C1([C@H](C)[NH2+][C@@H](C[C@H]2CCOC2)c2ccccc2)CC[NH2+]CC1 ZINC000423002396 500330042 /nfs/dbraw/zinc/33/00/42/500330042.db2.gz JGNSRMXHBMRMDC-NSHGMRRFSA-N 2 0 374.525 3.065 20 0 FGADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]CCCOc1ncc(C(F)(F)F)cc1Cl ZINC000423014479 500331171 /nfs/dbraw/zinc/33/11/71/500331171.db2.gz PFCVYYRGJZSZML-GWCFXTLKSA-N 2 0 351.800 3.240 20 0 FGADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1 ZINC000423024545 500332464 /nfs/dbraw/zinc/33/24/64/500332464.db2.gz LYJBRPMLYYEUPB-MRFFXTKBSA-N 2 0 360.452 3.223 20 0 FGADRP C[C@H](CN(C)Cc1ccccc1)[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423025136 500332660 /nfs/dbraw/zinc/33/26/60/500332660.db2.gz KTJMEJQFMIKPSM-JMUQELJHSA-N 2 0 365.521 3.352 20 0 FGADRP COC[C@@H](CCC[NH3+])[NH2+][C@@H](c1cc(F)cc(Br)c1)C1CC1 ZINC000423046056 500334896 /nfs/dbraw/zinc/33/48/96/500334896.db2.gz CZIZSIDFJOWYKL-HZPDHXFCSA-N 2 0 359.283 3.383 20 0 FGADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]CC(Cc1ccccc1)Cc1ccccc1 ZINC000423046199 500335141 /nfs/dbraw/zinc/33/51/41/500335141.db2.gz FCKGVMQFDRYVNZ-TZYHBYERSA-N 2 0 352.522 3.430 20 0 FGADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423050215 500335622 /nfs/dbraw/zinc/33/56/22/500335622.db2.gz YKRXFWOMJDSXPX-ABSDTBQOSA-N 3 0 352.526 3.410 20 0 FGADRP C[C@H]([NH2+][C@H](Cc1ccccn1)c1ccc(Br)cc1)C1C[NH2+]C1 ZINC000423072902 500338830 /nfs/dbraw/zinc/33/88/30/500338830.db2.gz QLLSPFFKXBNHCA-SCLBCKFNSA-N 2 0 360.299 3.325 20 0 FGADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1cnn(-c2ccc(Br)cc2)c1 ZINC000423091735 500341266 /nfs/dbraw/zinc/34/12/66/500341266.db2.gz YMZQSARBGQGZML-SUMWQHHRSA-N 2 0 363.303 3.113 20 0 FGADRP CC[C@H]([NH2+][C@H]1CCc2nc(-c3ccc(F)cc3F)cn2C1)[C@@H]1CCC[NH2+]1 ZINC000423156010 500349243 /nfs/dbraw/zinc/34/92/43/500349243.db2.gz RMOREMGGWOTDGO-WBAXXEDZSA-N 2 0 360.452 3.263 20 0 FGADRP Cc1c(Br)cccc1C[C@H](CO)C[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000423152370 500349270 /nfs/dbraw/zinc/34/92/70/500349270.db2.gz FSCBDMKDYXGXMD-QILLFSRXSA-N 2 0 369.347 3.016 20 0 FGADRP COc1cc(OC)c(C[C@H](C)[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)c(OC)c1 ZINC000423162172 500349917 /nfs/dbraw/zinc/34/99/17/500349917.db2.gz SWTWTFKMBQMNPY-AGRHKRQWSA-N 2 0 356.466 3.378 20 0 FGADRP FC(F)(F)c1cc(C[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)ccn1 ZINC000423161523 500350245 /nfs/dbraw/zinc/35/02/45/500350245.db2.gz SFINSIFYOOMXBY-CRAIPNDOSA-N 2 0 363.383 3.446 20 0 FGADRP c1ccc(-c2nc3c(s2)[C@@H]([NH2+]CCCN2CC[NH2+]CC2)CCC3)cc1 ZINC000423183082 500352861 /nfs/dbraw/zinc/35/28/61/500352861.db2.gz RCNWZGLEJPVDPJ-KRWDZBQOSA-N 2 0 356.539 3.072 20 0 FGADRP C[C@@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1ccc(F)c(I)c1 ZINC000423206525 500355045 /nfs/dbraw/zinc/35/50/45/500355045.db2.gz GAMKNUFXNHFZKB-MNOVXSKESA-N 2 0 362.230 3.081 20 0 FGADRP C[NH2+]C[C@H](C)C[NH2+][C@@H](c1cccc(Br)c1)C1CCOCC1 ZINC000423255446 500358536 /nfs/dbraw/zinc/35/85/36/500358536.db2.gz ABCJUBSPGAVDJS-SUMWQHHRSA-N 2 0 355.320 3.362 20 0 FGADRP C[C@H]([NH2+]CC[C@H]1CC[NH2+]C1)c1ccc(F)c(I)c1 ZINC000423242799 500358098 /nfs/dbraw/zinc/35/80/98/500358098.db2.gz FWHKIQOEAPGDHZ-WDEREUQCSA-N 2 0 362.230 3.081 20 0 FGADRP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+]1C[C@@H](C)[C@@H](C)[C@H]1C ZINC000419378549 500359459 /nfs/dbraw/zinc/35/94/59/500359459.db2.gz VUNAFDSGINCCRM-NCXUSEDFSA-N 2 0 357.542 3.132 20 0 FGADRP C[C@@H]([NH3+])c1ccc(C(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)cc1 ZINC000423322771 500363749 /nfs/dbraw/zinc/36/37/49/500363749.db2.gz GXESWCJPUJCQTI-OAHLLOKOSA-N 2 0 355.457 3.240 20 0 FGADRP [NH3+]C1(C[NH2+][C@@H](c2cccc(Br)c2)C2CCOCC2)CCC1 ZINC000423341967 500365446 /nfs/dbraw/zinc/36/54/46/500365446.db2.gz YMWCVVGCQVANGK-MRXNPFEDSA-N 2 0 353.304 3.388 20 0 FGADRP C[C@@H]([NH3+])c1ccc(C(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)cc1 ZINC000423362379 500367287 /nfs/dbraw/zinc/36/72/87/500367287.db2.gz SXHZLCOEDJCDKC-MJGOQNOKSA-N 2 0 351.494 3.001 20 0 FGADRP C[C@H]([NH2+][C@H]1CC[NH2+]C[C@@H]1C)c1ccc(F)c(I)c1 ZINC000423395821 500370540 /nfs/dbraw/zinc/37/05/40/500370540.db2.gz NPTJPSWAOAXBOL-BHDSKKPTSA-N 2 0 362.230 3.079 20 0 FGADRP C[C@H](CCC[NH3+])[NH2+][C@H]1CCCOc2ccc(I)cc21 ZINC000423456467 500375958 /nfs/dbraw/zinc/37/59/58/500375958.db2.gz NRAPJXKAOBCZBK-RISCZKNCSA-N 2 0 374.266 3.222 20 0 FGADRP COc1ccc([C@@H](CNC(=O)C[C@H]2CCC[NH2+]CC2)[NH+]2CCCCC2)cc1 ZINC000427298973 500378853 /nfs/dbraw/zinc/37/88/53/500378853.db2.gz IFFUHFBHQZRKDD-GHTZIAJQSA-N 2 0 373.541 3.118 20 0 FGADRP C[C@H]([NH2+][C@@H](CCC[NH3+])c1ccccc1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000423512032 500380668 /nfs/dbraw/zinc/38/06/68/500380668.db2.gz UFVWUWJWCDHHBK-KSSFIOAISA-N 2 0 364.486 3.360 20 0 FGADRP COc1ccccc1NC(=O)C[C@@H](C)[NH2+]CC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000423526015 500382576 /nfs/dbraw/zinc/38/25/76/500382576.db2.gz KXQCDQPXHFXKBN-HMSUTVNQSA-N 2 0 371.525 3.156 20 0 FGADRP C[C@@H](NCC1([NH3+])C2CC3CC(C2)CC1C3)c1cccc(OCC[NH+](C)C)c1 ZINC000423529641 500383320 /nfs/dbraw/zinc/38/33/20/500383320.db2.gz QEKCWMINWKDTQD-NKZGEROYSA-N 2 0 371.569 3.431 20 0 FGADRP C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+]CCC1=CC[NH2+]CC1 ZINC000423542129 500383450 /nfs/dbraw/zinc/38/34/50/500383450.db2.gz SWQXRSNVBPFCQX-CYBMUJFWSA-N 2 0 366.303 3.066 20 0 FGADRP C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000423554547 500385044 /nfs/dbraw/zinc/38/50/44/500385044.db2.gz WTSPWNHMDGHUFE-XYVMCAHJSA-N 2 0 363.933 3.055 20 0 FGADRP C[NH+](C)[C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1)c1cccc(F)c1 ZINC000431562460 500392196 /nfs/dbraw/zinc/39/21/96/500392196.db2.gz WYQDFRZATFVNCN-WOJBJXKFSA-N 2 0 361.505 3.342 20 0 FGADRP CC(C)(C(=O)NCC1CCN(c2cc[nH+]cc2)CC1)[C@@H]([NH3+])c1ccccc1 ZINC000423784519 500401569 /nfs/dbraw/zinc/40/15/69/500401569.db2.gz MLUOWDWGRNDPLX-FQEVSTJZSA-N 2 0 366.509 3.140 20 0 FGADRP [NH3+]C1CC[NH+](CCCC(=O)N2CCC[C@@H]2CCCc2ccccc2)CC1 ZINC000423815546 500405545 /nfs/dbraw/zinc/40/55/45/500405545.db2.gz WJPXCXDLFVCVJP-NRFANRHFSA-N 2 0 357.542 3.204 20 0 FGADRP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)c1cccc(C[N@H+](C)Cc2ccccc2)c1 ZINC000427598042 500410225 /nfs/dbraw/zinc/41/02/25/500410225.db2.gz AUMSTUHIVSQCAA-UWJYYQICSA-N 2 0 351.494 3.046 20 0 FGADRP C[NH+](C)[C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1)c1ccc(F)cc1 ZINC000431731667 500416548 /nfs/dbraw/zinc/41/65/48/500416548.db2.gz JIYKHFXOKXJRLK-WOJBJXKFSA-N 2 0 361.505 3.342 20 0 FGADRP C[C@@H]1C[C@H](CCNC(=O)[C@@H]2CCCC[C@]2(C)[NH3+])C[N@@H+]1Cc1ccccc1 ZINC000423892534 500416728 /nfs/dbraw/zinc/41/67/28/500416728.db2.gz CBGFGNIWOPQCEJ-XBZUYWNMSA-N 2 0 357.542 3.311 20 0 FGADRP C[C@]1(C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)CCCC[NH2+]1 ZINC000423911266 500418671 /nfs/dbraw/zinc/41/86/71/500418671.db2.gz VJSVMIJIACYPIQ-JAXLGGSGSA-N 2 0 355.526 3.032 20 0 FGADRP CC1(C)CCc2ccccc2[C@@H](NC(=O)CCC[NH+]2CCC([NH3+])CC2)C1 ZINC000423929958 500420063 /nfs/dbraw/zinc/42/00/63/500420063.db2.gz NFAJDSXPDNCTMZ-FQEVSTJZSA-N 2 0 357.542 3.410 20 0 FGADRP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+][C@@H]1CCCc2ncc(C(F)(F)F)cc21 ZINC000427689895 500421340 /nfs/dbraw/zinc/42/13/40/500421340.db2.gz RFTTZVMCWSLNLX-DOTOQJQBSA-N 2 0 371.447 3.304 20 0 FGADRP C[N@@H+]1CCCC[C@@H]1CCC(=O)N1CCC[NH+](CCCc2ccccc2)CC1 ZINC000431776569 500423545 /nfs/dbraw/zinc/42/35/45/500423545.db2.gz QZZALDXAVBXIMT-JOCHJYFZSA-N 2 0 371.569 3.418 20 0 FGADRP O=C([C@@H]1CCCC[N@@H+]1C1CCCC1)N1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000431845526 500433164 /nfs/dbraw/zinc/43/31/64/500433164.db2.gz OVGRWIWGKYZVMO-QMMLZNLJSA-N 2 0 359.558 3.259 20 0 FGADRP O=C(N[C@H]1CCC[N@H+](CC[C@H]2CC[NH2+]C2)C1)c1ccc2ccccc2c1 ZINC000420295021 500435702 /nfs/dbraw/zinc/43/57/02/500435702.db2.gz BUBDXPDCJUEEHC-UTKZUKDTSA-N 2 0 351.494 3.034 20 0 FGADRP C[C@@H]1CCC[C@H](CC(=O)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)C1 ZINC000424016999 500437026 /nfs/dbraw/zinc/43/70/26/500437026.db2.gz FEQDTNKVPRPYER-QUCCMNQESA-N 2 0 357.542 3.313 20 0 FGADRP [NH3+]CC[C@@H]1CCC[N@@H+]([C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)C1 ZINC000420312755 500439381 /nfs/dbraw/zinc/43/93/81/500439381.db2.gz OVRMFLGHALPRJQ-BLLLJJGKSA-N 2 0 356.297 3.160 20 0 FGADRP COCc1cccc(OCC2(C[N@@H+]3C[C@@H]4CCC[C@@H]([NH3+])[C@H]4C3)CCC2)c1 ZINC000420314229 500439825 /nfs/dbraw/zinc/43/98/25/500439825.db2.gz VJLJOMZQQMSJFZ-SESVDKBCSA-N 2 0 358.526 3.441 20 0 FGADRP Brc1ccccc1OCC[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000420323032 500441433 /nfs/dbraw/zinc/44/14/33/500441433.db2.gz XNYMZKCDWNDDMF-OAHLLOKOSA-N 2 0 353.304 3.149 20 0 FGADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+][C@H]1CCCc2ncc(C(F)(F)F)cc21 ZINC000427871580 500441610 /nfs/dbraw/zinc/44/16/10/500441610.db2.gz WHOPNXIGQRGZJM-KSSFIOAISA-N 2 0 370.463 3.093 20 0 FGADRP O=C1[C@H]([N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)CCCN1c1ccccc1Cl ZINC000420330587 500442759 /nfs/dbraw/zinc/44/27/59/500442759.db2.gz QEZQHISFTCOWAA-JTDSTZFVSA-N 2 0 361.917 3.157 20 0 FGADRP CCc1cccc(CC)c1NC(=O)[C@H](C)[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420337869 500443851 /nfs/dbraw/zinc/44/38/51/500443851.db2.gz KFOCBANVGPWZKX-DBVUQKKJSA-N 2 0 357.542 3.460 20 0 FGADRP C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)N2CCC3(CC[NH2+]3)CC2)c1 ZINC000424050853 500444067 /nfs/dbraw/zinc/44/40/67/500444067.db2.gz GGGJESGOLVYUAT-UHFFFAOYSA-N 2 0 363.505 3.287 20 0 FGADRP C[C@H](c1ccc(OC(F)(F)F)cc1)[N@@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000420337948 500444173 /nfs/dbraw/zinc/44/41/73/500444173.db2.gz XLOPQOAHUQJNPL-UKRRQHHQSA-N 2 0 358.404 3.334 20 0 FGADRP O=C(CC[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1)N[C@@H]1CCCc2ccccc21 ZINC000420344941 500445472 /nfs/dbraw/zinc/44/54/72/500445472.db2.gz VCFRFFNXVVLNQH-LEWJYISDSA-N 2 0 355.526 3.034 20 0 FGADRP O=C(CC[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1)Nc1ccc(Cl)cc1F ZINC000420346935 500446087 /nfs/dbraw/zinc/44/60/87/500446087.db2.gz ZMPMSLODWYFDEN-KBPBESRZSA-N 2 0 353.869 3.129 20 0 FGADRP CC[N@H+](Cc1ccc(C(=O)N2C[C@@H]([NH3+])Cc3ccccc32)cc1)C(C)C ZINC000424086519 500450710 /nfs/dbraw/zinc/45/07/10/500450710.db2.gz ZHNGIJASGABCGK-FQEVSTJZSA-N 2 0 351.494 3.447 20 0 FGADRP [NH3+][C@H]1CCCO[C@@H]1C1CC[NH+](CCOc2cccc3ccccc32)CC1 ZINC000420384779 500452489 /nfs/dbraw/zinc/45/24/89/500452489.db2.gz SCUBEINYMCNKSJ-RBBKRZOGSA-N 2 0 354.494 3.437 20 0 FGADRP [NH3+][C@H](CCC(=O)NC1CC[NH+](Cc2cccnc2)CC1)CC1CCCCC1 ZINC000424168015 500462312 /nfs/dbraw/zinc/46/23/12/500462312.db2.gz FNPAYHVVLDGWKC-HXUWFJFHSA-N 2 0 372.557 3.240 20 0 FGADRP CC[N@H+](Cc1ccc(C(=O)N2CC3(C[C@H]2C)CC[NH2+]CC3)cc1)C1CC1 ZINC000424248050 500475019 /nfs/dbraw/zinc/47/50/19/500475019.db2.gz WYOURSWSKLSYBJ-QGZVFWFLSA-N 2 0 355.526 3.275 20 0 FGADRP C[C@@H]1CC2(C[N@@H+]1CCC(=O)Nc1cccc(C(F)(F)F)c1)CC[NH2+]CC2 ZINC000424285184 500480977 /nfs/dbraw/zinc/48/09/77/500480977.db2.gz FLWDPFWLQIBFJT-CQSZACIVSA-N 2 0 369.431 3.498 20 0 FGADRP C[C@H]1CC2(C[N@@H+]1Cc1cc3c(c(Br)c1)OCO3)CC[NH2+]CC2 ZINC000424292908 500482605 /nfs/dbraw/zinc/48/26/05/500482605.db2.gz ORZBXMARVZDHQP-LBPRGKRZSA-N 2 0 367.287 3.142 20 0 FGADRP C[C@H]1CC2(C[N@@H+]1CC(=O)N1CC[C@H](C)Sc3ccccc31)CC[NH2+]CC2 ZINC000424298987 500483097 /nfs/dbraw/zinc/48/30/97/500483097.db2.gz VENKZJICLSBITB-IRXDYDNUSA-N 2 0 373.566 3.368 20 0 FGADRP C[C@@H]1CC2(C[N@@H+]1Cc1cccc(C(=O)N3CCCCC3)c1)CC[NH2+]CC2 ZINC000424298226 500483470 /nfs/dbraw/zinc/48/34/70/500483470.db2.gz UEHCIJAUUGKISK-GOSISDBHSA-N 2 0 355.526 3.277 20 0 FGADRP CC[NH+](CC)Cc1ccccc1CNC(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000428263124 500488511 /nfs/dbraw/zinc/48/85/11/500488511.db2.gz RWOCFNNTGQZPTD-UHFFFAOYSA-N 2 0 372.557 3.202 20 0 FGADRP COc1ccc(C[NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)cc1Br ZINC000432353237 500503623 /nfs/dbraw/zinc/50/36/23/500503623.db2.gz JGOISCRXRXKUKH-AWEZNQCLSA-N 2 0 371.319 3.048 20 0 FGADRP OCC[C@]1(C[NH2+][C@@H]2CCCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CCOC1 ZINC000428462381 500513615 /nfs/dbraw/zinc/51/36/15/500513615.db2.gz SVDBSEJMRWDDMZ-SSGKUCQKSA-N 2 0 372.553 3.056 20 0 FGADRP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)NC2CCC([NH+](C)C)CC2)CC1 ZINC000420919762 500530374 /nfs/dbraw/zinc/53/03/74/500530374.db2.gz SPABSVBKRVLROD-FQVISZRSSA-N 2 0 372.557 3.384 20 0 FGADRP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@@H](c3ccccc3)C2(C)C)CC1 ZINC000421028206 500558950 /nfs/dbraw/zinc/55/89/50/500558950.db2.gz WHEVKJGBBZHJBU-FQEVSTJZSA-N 2 0 357.542 3.244 20 0 FGADRP C[C@@H]1C[N@@H+](CCCC[NH2+]Cc2nc3ccc(F)cc3s2)C[C@H](C)O1 ZINC000428850508 500565748 /nfs/dbraw/zinc/56/57/48/500565748.db2.gz OCLDJHXICUXYBE-OKILXGFUSA-N 2 0 351.491 3.414 20 0 FGADRP C[C@@H]1C[NH+](CCCC[NH2+]Cc2nc3ccc(F)cc3s2)C[C@@H](C)O1 ZINC000428850509 500565803 /nfs/dbraw/zinc/56/58/03/500565803.db2.gz OCLDJHXICUXYBE-ZIAGYGMSSA-N 2 0 351.491 3.414 20 0 FGADRP COC1(C[NH2+]Cc2ccccc2C[N@H+]2C[C@H](C)C[C@H](C)C2)CCOCC1 ZINC000428858933 500566906 /nfs/dbraw/zinc/56/69/06/500566906.db2.gz GRQJGSWAUROEMV-KDURUIRLSA-N 2 0 360.542 3.450 20 0 FGADRP CC[NH+](CC)C[C@H]1CCCC[C@H]1NC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000442236824 500573833 /nfs/dbraw/zinc/57/38/33/500573833.db2.gz LRYMFTJFZICDRY-CQJJOKNBSA-N 2 0 366.594 3.307 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@H]2Cc3ccccc3N(C)C2)[C@@H](C)C1 ZINC000437092058 500601426 /nfs/dbraw/zinc/60/14/26/500601426.db2.gz YPHWWENMHOCMFY-ZVDOUQERSA-N 2 0 359.558 3.022 20 0 FGADRP CCc1ccc([C@@H]2CC[N@H+](CC(=O)NC3CC[NH+](C(C)C)CC3)C2)cc1 ZINC000433048636 500613684 /nfs/dbraw/zinc/61/36/84/500613684.db2.gz XVOWFZPYECZDIW-HXUWFJFHSA-N 2 0 357.542 3.027 20 0 FGADRP COCC[N@H+](C)CCOc1cccc(C[NH2+][C@H]2CCCc3occc32)c1 ZINC000447532028 500618598 /nfs/dbraw/zinc/61/85/98/500618598.db2.gz UIFTXHHYZHQSED-FQEVSTJZSA-N 2 0 358.482 3.404 20 0 FGADRP C[NH+](C)CCOc1ccc(CC[NH2+][C@H]2Cc3[nH]c4ccccc4c3C2)cc1 ZINC000442777022 500624336 /nfs/dbraw/zinc/62/43/36/500624336.db2.gz FIYKNFCXCPBFDB-GOSISDBHSA-N 2 0 363.505 3.408 20 0 FGADRP CC(C)(C)NC(=O)C[NH+]1CCC(C[NH2+]C2CCC(C(F)F)CC2)CC1 ZINC000442797745 500626920 /nfs/dbraw/zinc/62/69/20/500626920.db2.gz XOHWLWSETXMNRL-UHFFFAOYSA-N 2 0 359.505 3.027 20 0 FGADRP [NH3+]C1CC[NH+](CCCC(=O)NC(c2ccccc2)c2ccccc2)CC1 ZINC000433118927 500629815 /nfs/dbraw/zinc/62/98/15/500629815.db2.gz DHTGIMISGFNJLY-UHFFFAOYSA-N 2 0 351.494 3.096 20 0 FGADRP [NH3+]C1CC[NH+](CCCC(=O)N(Cc2ccccc2)c2ccccc2)CC1 ZINC000433123253 500630758 /nfs/dbraw/zinc/63/07/58/500630758.db2.gz YOBWJLORGCYPKO-UHFFFAOYSA-N 2 0 351.494 3.423 20 0 FGADRP C[C@@H](NC(=O)CCC[NH+]1CCC([NH3+])CC1)c1ccc(Cl)cc1Cl ZINC000433130040 500632203 /nfs/dbraw/zinc/63/22/03/500632203.db2.gz QFBYOUFORWPSPV-GFCCVEGCSA-N 2 0 358.313 3.374 20 0 FGADRP COC[C@@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)c1cccc(C(F)(F)F)c1 ZINC000442876088 500637717 /nfs/dbraw/zinc/63/77/17/500637717.db2.gz QIZNDSPBYHBTHX-QGZVFWFLSA-N 2 0 373.463 3.009 20 0 FGADRP C[C@@H]1C[C@H]1[C@@H](NC(=O)CCC[NH+]1CCC([NH3+])CC1)c1ccc(Cl)cc1 ZINC000433168090 500638364 /nfs/dbraw/zinc/63/83/64/500638364.db2.gz QGNHRYBPQXJCON-DJKXOVBDSA-N 2 0 363.933 3.357 20 0 FGADRP CC[NH+](CC)CCCNC(=O)C1CC[NH+](C[C@@H](C)c2ccccc2)CC1 ZINC000573527080 506208104 /nfs/dbraw/zinc/20/81/04/506208104.db2.gz WKZOADDKWCNFFI-LJQANCHMSA-N 2 0 359.558 3.350 20 0 FGADRP [NH3+]CC[C@H]1CCC[N@H+](Cc2cnn(-c3ccc(Br)cc3)c2)C1 ZINC000442920386 500647211 /nfs/dbraw/zinc/64/72/11/500647211.db2.gz LFHGFDDGQUJHFY-CQSZACIVSA-N 2 0 363.303 3.196 20 0 FGADRP CN(CC(=O)Nc1cccc2c1OCC[C@H]2[NH+](C)C)Cc1ccccc1 ZINC000447723080 500653180 /nfs/dbraw/zinc/65/31/80/500653180.db2.gz MUYFLGLTZRYHRZ-LJQANCHMSA-N 2 0 353.466 3.142 20 0 FGADRP Cc1cc(C(F)(F)F)ccc1C[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000443005674 500661495 /nfs/dbraw/zinc/66/14/95/500661495.db2.gz XAOKQELCHHBXMB-MSOLQXFVSA-N 2 0 356.432 3.481 20 0 FGADRP Cc1nn(C)c(C[NH2+]CCCC[N@H+]2CCCC[C@@H]2C)c1Br ZINC000447935555 500692482 /nfs/dbraw/zinc/69/24/82/500692482.db2.gz HXKWEEPZCUWSDV-ZDUSSCGKSA-N 2 0 357.340 3.235 20 0 FGADRP c1cc(-c2n[nH]cc2C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)cs1 ZINC000437801044 500698670 /nfs/dbraw/zinc/69/86/70/500698670.db2.gz NQEKBEGWFUWSQD-UHFFFAOYSA-N 2 0 374.554 3.463 20 0 FGADRP O=C(NC[C@H]1CCCC[N@@H+]1C1CC1)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000433564525 500713139 /nfs/dbraw/zinc/71/31/39/500713139.db2.gz PXPGBGNGQXIQSN-RTWAWAEBSA-N 2 0 370.541 3.140 20 0 FGADRP C[C@H]1CN(CC(C)(C)C[N@H+](C)Cc2ccccc2)CC2(CCOCC2)O1 ZINC000448373491 500755036 /nfs/dbraw/zinc/75/50/36/500755036.db2.gz QKIDRCWIDQQDGQ-IBGZPJMESA-N 2 0 360.542 3.415 20 0 FGADRP C[NH+](C)CCOc1ccc(CC[NH2+]Cc2cnc(C(F)(F)F)s2)cc1 ZINC000443979336 500786226 /nfs/dbraw/zinc/78/62/26/500786226.db2.gz AKFUNTBJDBIZGN-UHFFFAOYSA-N 2 0 373.444 3.435 20 0 FGADRP C[C@@H](C[NH2+]Cc1ccc(Oc2cccc(F)c2)cc1)N1CC[NH+](C)CC1 ZINC000443978950 500786257 /nfs/dbraw/zinc/78/62/57/500786257.db2.gz JJICHRGKHPKYQK-KRWDZBQOSA-N 2 0 357.473 3.344 20 0 FGADRP C[C@H](C(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000607664870 506218996 /nfs/dbraw/zinc/21/89/96/506218996.db2.gz LJPKKGIINCOKLR-WOIUINJBSA-N 2 0 371.569 3.271 20 0 FGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]CCc2ccncc2)CC1 ZINC000438974567 500843022 /nfs/dbraw/zinc/84/30/22/500843022.db2.gz PDKKYWPXHLEYOH-QGZVFWFLSA-N 2 0 356.489 3.256 20 0 FGADRP O=C(NC[C@H]1CCCC[N@@H+]1C1CC1)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000434445436 500844185 /nfs/dbraw/zinc/84/41/85/500844185.db2.gz OESCNDLBYMBEJB-PZJWPPBQSA-N 2 0 355.526 3.032 20 0 FGADRP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH+]2CCCC23CCC3)CC1 ZINC000444779782 500898330 /nfs/dbraw/zinc/89/83/30/500898330.db2.gz LQXHIXHLDPOIDY-UHFFFAOYSA-N 2 0 355.526 3.048 20 0 FGADRP C[C@@H](C[NH2+]CCCC[NH+]1CCC(C)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000449081688 500920448 /nfs/dbraw/zinc/92/04/48/500920448.db2.gz HFGJMYSYQPOQHB-SFHVURJKSA-N 2 0 366.571 3.295 20 0 FGADRP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@@H](CO)Cc2ccc(F)cc2)CC1 ZINC000449204774 500947402 /nfs/dbraw/zinc/94/74/02/500947402.db2.gz JNNJRZWYZCSLLW-FDDCHVKYSA-N 2 0 370.512 3.414 20 0 FGADRP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@H]2CCN(c3ccccn3)C2)CC1 ZINC000449215207 500949896 /nfs/dbraw/zinc/94/98/96/500949896.db2.gz NDIFTGIFXNADDY-UGKGYDQZSA-N 2 0 364.537 3.346 20 0 FGADRP O=C(NC[C@H]1CCC[N@@H+]1Cc1ccccc1)[C@@H]1CCC[NH+]1C1CCCC1 ZINC000439965193 500960862 /nfs/dbraw/zinc/96/08/62/500960862.db2.gz ZUDYZLIZKOXDSW-RTWAWAEBSA-N 2 0 355.526 3.174 20 0 FGADRP COc1cc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)ccc1OCC(F)(F)F ZINC000435376741 500963126 /nfs/dbraw/zinc/96/31/26/500963126.db2.gz UJFLWPHYUQKOTA-RRFJBIMHSA-N 2 0 358.404 3.196 20 0 FGADRP COc1ccc(OCc2ccccn2)c(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c1 ZINC000435378884 500963619 /nfs/dbraw/zinc/96/36/19/500963619.db2.gz ABWOKUYHDWZEEY-ORYQWCPZSA-N 2 0 367.493 3.228 20 0 FGADRP COc1cccc(-c2nn(C(C)(C)C)cc2C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c1 ZINC000435380240 500963775 /nfs/dbraw/zinc/96/37/75/500963775.db2.gz QFYTXNDEBADGJJ-VDGAXYAQSA-N 2 0 368.525 3.483 20 0 FGADRP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3cn(-c4ccccc4)nc3-c3cccnc3)C[C@H]12 ZINC000435387666 500965876 /nfs/dbraw/zinc/96/58/76/500965876.db2.gz AYEUMGCDEYNJDG-JRGCBEDISA-N 2 0 359.477 3.103 20 0 FGADRP COc1cc(C)ccc1CNC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000449286232 500966594 /nfs/dbraw/zinc/96/65/94/500966594.db2.gz SJGJERILZCDWQR-OAQYLSRUSA-N 2 0 354.494 3.384 20 0 FGADRP c1nn(-c2ccccc2)cc1CN(Cc1ccccn1)[C@H]1CCC[NH2+]CC1 ZINC000435390981 500966655 /nfs/dbraw/zinc/96/66/55/500966655.db2.gz QYTBTVVXWTZZJO-NRFANRHFSA-N 2 0 361.493 3.412 20 0 FGADRP CC[NH+](CC)CCCNC(=O)C1CC[NH+](Cc2cccc3ccoc32)CC1 ZINC000449317898 500975798 /nfs/dbraw/zinc/97/57/98/500975798.db2.gz FDEKSZRCLWOTQE-UHFFFAOYSA-N 2 0 371.525 3.493 20 0 FGADRP C[C@H](Cc1coc2ccccc12)[NH2+]C1C[C@H]2CC[C@@H](C1)N2CC(=O)N(C)C ZINC000449323421 500977546 /nfs/dbraw/zinc/97/75/46/500977546.db2.gz VECMOKKYHORPTN-BPIHKTFHSA-N 2 0 369.509 3.037 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)NCC1([NH+](C)C)CCC1 ZINC000445846264 501040253 /nfs/dbraw/zinc/04/02/53/501040253.db2.gz GHBVIGFSOUMDTL-GOSISDBHSA-N 2 0 372.557 3.345 20 0 FGADRP CC[C@H](C)[NH+]1CCN(Cc2ccccc2N(C)C2CC[NH+](C)CC2)CC1 ZINC000449631248 501046735 /nfs/dbraw/zinc/04/67/35/501046735.db2.gz ORUPBZZPPCHHRD-IBGZPJMESA-N 2 0 358.574 3.133 20 0 FGADRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2nc(-c3ccccc3)cs2)CC1 ZINC000449746273 501073964 /nfs/dbraw/zinc/07/39/64/501073964.db2.gz QVRFTEJEDXUFJW-UHFFFAOYSA-N 2 0 358.555 3.316 20 0 FGADRP Cn1ccnc1[C@H]1C[C@H]([NH2+]CC(C)(C)C[N@H+](C)Cc2ccccc2)CCO1 ZINC000449772263 501082692 /nfs/dbraw/zinc/08/26/92/501082692.db2.gz KSOHLMFRTFPGRH-WOJBJXKFSA-N 2 0 370.541 3.388 20 0 FGADRP CC[NH+](CC)CC1CCN(C(=O)NC[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000611626136 506233526 /nfs/dbraw/zinc/23/35/26/506233526.db2.gz ZMRBHLHRAWIJIK-FQEVSTJZSA-N 2 0 360.546 3.053 20 0 FGADRP CC(C)Oc1ccc2[nH+]ccc(NC3CC[NH+](C[C@H]4CCOC4)CC3)c2c1 ZINC000450342065 501095528 /nfs/dbraw/zinc/09/55/28/501095528.db2.gz PPIRQDVBYBJFRO-QGZVFWFLSA-N 2 0 369.509 3.357 20 0 FGADRP C[NH+](C)CCOc1ccccc1CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC000449835395 501101585 /nfs/dbraw/zinc/10/15/85/501101585.db2.gz PMAQEJLLIYCIEA-FQEVSTJZSA-N 2 0 373.541 3.040 20 0 FGADRP CCc1ccc2[nH+]ccc(N3CCN(C4CC[NH+](C)CC4)[C@@H](C)C3)c2c1 ZINC000450422680 501118293 /nfs/dbraw/zinc/11/82/93/501118293.db2.gz VPEQNDIKYFYMQK-KRWDZBQOSA-N 2 0 352.526 3.402 20 0 FGADRP C[N@@H+]1CCN(CC[NH2+]Cc2cc(C(F)(F)F)ccc2Cl)CC1(C)C ZINC000441386782 501131299 /nfs/dbraw/zinc/13/12/99/501131299.db2.gz VCBUBSNXHTWWPR-UHFFFAOYSA-N 2 0 363.855 3.474 20 0 FGADRP CCc1cc(NC[C@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)cc[nH+]1 ZINC000450542002 501149678 /nfs/dbraw/zinc/14/96/78/501149678.db2.gz GCCRXNUJJFRAMC-FQEVSTJZSA-N 2 0 365.521 3.407 20 0 FGADRP Cc1ccc([C@@H]([NH2+]CCC[N@@H+]2CCC[C@@H](C(N)=O)C2)C2CCCC2)cc1 ZINC000446818268 501168028 /nfs/dbraw/zinc/16/80/28/501168028.db2.gz MURFKZOSXBINEK-RTWAWAEBSA-N 2 0 357.542 3.403 20 0 FGADRP c1c(C[NH+]2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)nnn1CC1CC1 ZINC000450652104 501177503 /nfs/dbraw/zinc/17/75/03/501177503.db2.gz TZJZUQKCSFAWFK-UHFFFAOYSA-N 2 0 365.525 3.176 20 0 FGADRP C[N@@H+]1CC[C@@H]2CN(c3ccnc4cc(F)c(Br)cc43)C[C@@H]21 ZINC000450777158 501206719 /nfs/dbraw/zinc/20/67/19/501206719.db2.gz IXURPNZMUPBYKT-HWPZZCPQSA-N 2 0 350.235 3.277 20 0 FGADRP FC1(F)CC[C@@H](C[NH+]2CCN([C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)C1 ZINC000450980831 501236512 /nfs/dbraw/zinc/23/65/12/501236512.db2.gz GSTODIWLSJWQMV-WOJBJXKFSA-N 2 0 363.496 3.314 20 0 FGADRP Cc1cc([C@@H](C)[NH2+]CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)ccc1F ZINC000451159422 501249101 /nfs/dbraw/zinc/24/91/01/501249101.db2.gz ACYJXCPZFYFFLE-UZLBHIALSA-N 2 0 357.473 3.204 20 0 FGADRP CC1(C)OCC[C@H]1[NH2+]Cc1ccc(F)c(C[NH2+][C@@H]2CCOC2(C)C)c1 ZINC000451243119 501254506 /nfs/dbraw/zinc/25/45/06/501254506.db2.gz OXDCBXPQUHXLIC-QZTJIDSGSA-N 2 0 350.478 3.140 20 0 FGADRP CC(C)=CCC[C@H](C)NC(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1 ZINC000455265378 501258483 /nfs/dbraw/zinc/25/84/83/501258483.db2.gz COBZAIQHIKOMIB-IBGZPJMESA-N 2 0 364.578 3.371 20 0 FGADRP CC(C)[N@H+](C)CC1CCN(C(=O)CC[NH+]2CCc3ccccc3C2)CC1 ZINC000582475147 506242842 /nfs/dbraw/zinc/24/28/42/506242842.db2.gz ILBUFERDQQYCNA-UHFFFAOYSA-N 2 0 357.542 3.014 20 0 FGADRP C[C@@H]([NH2+]C[C@@H]1CCCN1C)c1ccc(F)c(I)c1 ZINC000453064814 501261617 /nfs/dbraw/zinc/26/16/17/501261617.db2.gz GZSYCALZHOTHFR-PWSUYJOCSA-N 2 0 362.230 3.175 20 0 FGADRP COCCN1CCC([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)CC1 ZINC000453077056 501263984 /nfs/dbraw/zinc/26/39/84/501263984.db2.gz VYYQYZNLCGTBRO-DNVJHFABSA-N 2 0 371.569 3.130 20 0 FGADRP CCC[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1)C1CCC1 ZINC000453108007 501271002 /nfs/dbraw/zinc/27/10/02/501271002.db2.gz JZKDOEKQBDLUQQ-LEWJYISDSA-N 2 0 357.542 3.442 20 0 FGADRP COc1ccc2c(c1)C[C@H]([NH2+]Cc1ccc(OCCC[NH+](C)C)cc1)CO2 ZINC000453108437 501271202 /nfs/dbraw/zinc/27/12/02/501271202.db2.gz NTYKJXJBOMQHLQ-IBGZPJMESA-N 2 0 370.493 3.119 20 0 FGADRP COc1ccc2c(c1)C[C@H]([NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc3ccccc3)C1)CO2 ZINC000453195344 501288517 /nfs/dbraw/zinc/28/85/17/501288517.db2.gz JNTMFTKKPMCOQG-DSKINZAPSA-N 2 0 366.505 3.499 20 0 FGADRP Cc1nccnc1CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000453234863 501295567 /nfs/dbraw/zinc/29/55/67/501295567.db2.gz XECXJBMXLVESJT-KSEOMHKRSA-N 2 0 350.510 3.360 20 0 FGADRP CC(C)[NH+]1CCN(CCC[NH2+][C@H]2C[C@@H](OCc3ccccc3)C2(C)C)CC1 ZINC000451498072 501306871 /nfs/dbraw/zinc/30/68/71/501306871.db2.gz NDQBCUMGQBINRQ-FCHUYYIVSA-N 2 0 373.585 3.376 20 0 FGADRP CCCC[NH+]1CCC(NC(=O)N(CC[NH+](C)C)Cc2ccsc2)CC1 ZINC000458172879 501384420 /nfs/dbraw/zinc/38/44/20/501384420.db2.gz WJHPSJJRGTXSCF-UHFFFAOYSA-N 2 0 366.575 3.086 20 0 FGADRP C[NH+](C)[C@@H]1CCc2cc(NC(=O)NC3CC([NH+]4CCCCC4)C3)ccc21 ZINC000455843299 501398468 /nfs/dbraw/zinc/39/84/68/501398468.db2.gz GKFYSCUPVLHXGI-AFMYVXGZSA-N 2 0 356.514 3.374 20 0 FGADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)C1 ZINC000455949737 501424018 /nfs/dbraw/zinc/42/40/18/501424018.db2.gz YYNUGHKCIOZBIV-UZLBHIALSA-N 2 0 358.530 3.431 20 0 FGADRP C[C@H]([NH2+]C(C)(C)CNC(=O)N1CC[N@@H+](C2CC2)C[C@@H](C)C1)c1ccccc1 ZINC000458376378 501430826 /nfs/dbraw/zinc/43/08/26/501430826.db2.gz QNONWLPITTUKSA-MSOLQXFVSA-N 2 0 372.557 3.242 20 0 FGADRP CC[C@@H]1C[N@H+](CC)CCN1C(=O)N[C@H](C)c1ccc(-n2ccnc2C)cc1 ZINC000458535128 501468061 /nfs/dbraw/zinc/46/80/61/501468061.db2.gz PMBDCQMKXLJXOL-VQIMIIECSA-N 2 0 369.513 3.367 20 0 FGADRP CC(C)C[C@H](CNC(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1)[NH2+][C@H](C)c1ccccc1 ZINC000458555122 501473285 /nfs/dbraw/zinc/47/32/85/501473285.db2.gz LZPFAAHULZYSNT-GFOJFJKKSA-N 2 0 372.557 3.097 20 0 FGADRP C[C@H](NC(=O)NC(C)(C)CCC[NH+](C)C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000458625456 501492531 /nfs/dbraw/zinc/49/25/31/501492531.db2.gz DYRWRWVZZQPRIU-IRXDYDNUSA-N 2 0 352.567 3.059 20 0 FGADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)NCCCCC[NH+]2CCCC2)C1 ZINC000454358540 501522011 /nfs/dbraw/zinc/52/20/11/501522011.db2.gz GRXINQMSPZZSHK-TZIWHRDSSA-N 2 0 372.557 3.387 20 0 FGADRP CC[C@H](C)[NH+]1CCN(C(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000456521686 501541555 /nfs/dbraw/zinc/54/15/55/501541555.db2.gz CQFZNYDYHQSAEX-IBGZPJMESA-N 2 0 357.542 3.231 20 0 FGADRP CCCC[N@H+](C)CC1CCN(C(=O)NC2CC[NH+](C3CCC3)CC2)CC1 ZINC000459094131 501592774 /nfs/dbraw/zinc/59/27/74/501592774.db2.gz GQOMXOKORWRABM-UHFFFAOYSA-N 2 0 364.578 3.157 20 0 FGADRP C[C@@H](NC(=O)N1CC[N@H+](Cc2ccccc2)C[C@@H](C)C1)C(C)(C)C[NH+](C)C ZINC000454680696 501608223 /nfs/dbraw/zinc/60/82/23/501608223.db2.gz ZDSJNNLEZFRWKL-RTBURBONSA-N 2 0 374.573 3.126 20 0 FGADRP CCCN(CC[NH+]1CCCCCC1)C(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000459317988 501629529 /nfs/dbraw/zinc/62/95/29/501629529.db2.gz QSXRZILWSSAUBP-LJQANCHMSA-N 2 0 352.567 3.016 20 0 FGADRP CC[N@H+](CCNC(=O)N(CC[NH+](C)C)Cc1cccc(Cl)c1)C(C)C ZINC000588304456 506265410 /nfs/dbraw/zinc/26/54/10/506265410.db2.gz VRRPBOCJLLIVFG-UHFFFAOYSA-N 2 0 368.953 3.144 20 0 FGADRP COC(=O)CC[C@@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1ccccc1 ZINC000459395497 501646141 /nfs/dbraw/zinc/64/61/41/501646141.db2.gz BENGXYTVGPHBJO-HXUWFJFHSA-N 2 0 353.466 3.335 20 0 FGADRP Fc1cccc(N2CCC[C@H]([NH2+]C3CCN(c4cc[nH+]cc4)CC3)C2)c1 ZINC000459418631 501650345 /nfs/dbraw/zinc/65/03/45/501650345.db2.gz SNJGOPNMIBTVBD-IBGZPJMESA-N 2 0 354.473 3.448 20 0 FGADRP CCOc1cc(C[NH2+]CCC2CC[NH+](C)CC2)cc(Br)c1O ZINC000459426640 501652060 /nfs/dbraw/zinc/65/20/60/501652060.db2.gz MPMMMCLSPPPRIZ-UHFFFAOYSA-N 2 0 371.319 3.375 20 0 FGADRP Cn1ncnc1C[N@@H+]1CCCCC[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000459514760 501667416 /nfs/dbraw/zinc/66/74/16/501667416.db2.gz CGBXOSBOFIHDJH-NRFANRHFSA-N 2 0 367.541 3.472 20 0 FGADRP CSC1(C[NH2+]Cc2cccc(O)c2Br)CC[NH+](C)CC1 ZINC000459560620 501676892 /nfs/dbraw/zinc/67/68/92/501676892.db2.gz JSVYOJACMHHDBI-UHFFFAOYSA-N 2 0 359.333 3.072 20 0 FGADRP CC(C)(C)O[C@@H]1C[C@@H]([NH2+]C2CCN(c3cc[nH+]cc3)CC2)[C@@H]1n1cccn1 ZINC000459570854 501678607 /nfs/dbraw/zinc/67/86/07/501678607.db2.gz MWULFAQRDAKDMZ-AQNXPRMDSA-N 2 0 369.513 3.034 20 0 FGADRP C[N@@H+]1CCC[C@H](CC[NH2+]Cc2cc(Br)c3c(c2)OCCO3)C1 ZINC000459738328 501706608 /nfs/dbraw/zinc/70/66/08/501706608.db2.gz RQKKARYZFHSBRC-CYBMUJFWSA-N 2 0 369.303 3.042 20 0 FGADRP C[N@@H+]1CCCC[C@@H](C[NH2+]Cc2cccc(I)c2)C1 ZINC000598994261 506268665 /nfs/dbraw/zinc/26/86/65/506268665.db2.gz HPIRWXGBKWDKGL-AWEZNQCLSA-N 2 0 358.267 3.113 20 0 FGADRP O=C(C[NH2+]C1(C2CCC2)CCC1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000459777153 501712765 /nfs/dbraw/zinc/71/27/65/501712765.db2.gz RUOVJPYAEPRFAV-UHFFFAOYSA-N 2 0 355.526 3.211 20 0 FGADRP CO[C@H]1C[C@H]([NH2+]Cc2ccccc2N(C)C2CC[NH+](C)CC2)C12CCC2 ZINC000459799074 501715425 /nfs/dbraw/zinc/71/54/25/501715425.db2.gz YHBKGIOJOIOADL-SFTDATJTSA-N 2 0 357.542 3.264 20 0 FGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]C2CC(OCc3ccccc3)C2)[C@@H](C)C1 ZINC000463572083 501764985 /nfs/dbraw/zinc/76/49/85/501764985.db2.gz XFFZWWUWNHZZGB-FTWXPCQCSA-N 2 0 360.542 3.461 20 0 FGADRP Cc1ccc(CCC[NH+]2CCN(c3ncnc4ccsc43)CC2)cn1 ZINC000474272926 501769493 /nfs/dbraw/zinc/76/94/93/501769493.db2.gz LINZUBOERJEYEW-UHFFFAOYSA-N 2 0 353.495 3.150 20 0 FGADRP Cc1cccc(C[C@H](CO)[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC000467353860 501775822 /nfs/dbraw/zinc/77/58/22/501775822.db2.gz BDOGAUCHSSZOBQ-UARRHKHWSA-N 2 0 364.533 3.399 20 0 FGADRP CC[NH+](CC)Cc1ccccc1CNC(=O)c1ccc2c(c1)CC[NH2+]CC2 ZINC000474292842 501778588 /nfs/dbraw/zinc/77/85/88/501778588.db2.gz PJJXNJJSLWYIJJ-UHFFFAOYSA-N 2 0 365.521 3.147 20 0 FGADRP Cc1cc(C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)ccc1I ZINC000467388542 501784291 /nfs/dbraw/zinc/78/42/91/501784291.db2.gz LWVXYWJAVGJSNH-JSGCOSHPSA-N 2 0 358.267 3.172 20 0 FGADRP C[NH+](C)[C@H](CNC(=O)C[N@@H+]1CCC[C@@]2(CC=CCC2)C1)c1ccccc1 ZINC000460378493 501808792 /nfs/dbraw/zinc/80/87/92/501808792.db2.gz CIHPSSLPOCSCEB-IRLDBZIGSA-N 2 0 355.526 3.228 20 0 FGADRP C[C@@H]1CN(CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)[C@H]1c1ccccc1 ZINC000460400618 501814852 /nfs/dbraw/zinc/81/48/52/501814852.db2.gz LIZFGNZKULEANY-NQSCKRDGSA-N 2 0 351.494 3.099 20 0 FGADRP CCCC[N@H+](C)C[C@H](C)NC(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000460400780 501816011 /nfs/dbraw/zinc/81/60/11/501816011.db2.gz LUNVLXKXCOWLIH-KRWDZBQOSA-N 2 0 352.567 3.203 20 0 FGADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)N[C@@H]1CCC[C@H]1c1ccccc1 ZINC000477946977 501836168 /nfs/dbraw/zinc/83/61/68/501836168.db2.gz VLBDWEYKRKAIDO-LEWJYISDSA-N 2 0 374.573 3.238 20 0 FGADRP C[C@@H]1C[NH+](CCCCC[N@@H+]2C[C@@H](C3CC3)O[C@@H](C)C2)C[C@@H](C2CC2)O1 ZINC000470921801 501855792 /nfs/dbraw/zinc/85/57/92/501855792.db2.gz CRZRDYQMRZAGSM-JWWGGVBKSA-N 2 0 350.547 3.155 20 0 FGADRP CC(C)n1nccc1C[NH2+]Cc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000474615206 501894296 /nfs/dbraw/zinc/89/42/96/501894296.db2.gz PNVWRLSAKPVWGQ-QZTJIDSGSA-N 2 0 356.514 3.363 20 0 FGADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H](C)Cc2ccccc2C(F)(F)F)CC1 ZINC000481913281 501916472 /nfs/dbraw/zinc/91/64/72/501916472.db2.gz FAGBTNMRQFIATG-HZPDHXFCSA-N 2 0 357.464 3.252 20 0 FGADRP C[C@H]1C[C@H](NC(=O)N(CC[NH+](C)C)C2CCCC2)C[N@@H+]1Cc1ccccc1 ZINC000468018675 501931802 /nfs/dbraw/zinc/93/18/02/501931802.db2.gz ACBYEWGZGNPFRS-ICSRJNTNSA-N 2 0 372.557 3.165 20 0 FGADRP CC(C)[C@H](C(=O)NC[C@H](c1cccs1)[NH+]1CCC(C)CC1)[NH+](C)C ZINC000471172181 501945488 /nfs/dbraw/zinc/94/54/88/501945488.db2.gz FFYVUBRHGKCNAE-SJLPKXTDSA-N 2 0 351.560 3.224 20 0 FGADRP CC(C)(CNC(=O)NCCCCC[NH+]1CCCCC1)C[NH+]1CCCC1 ZINC000478408399 501971219 /nfs/dbraw/zinc/97/12/19/501971219.db2.gz UNJYJIVFZBNGCN-UHFFFAOYSA-N 2 0 352.567 3.064 20 0 FGADRP C[C@@H]1Cc2ccccc2[C@H]1[NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000482116034 501980331 /nfs/dbraw/zinc/98/03/31/501980331.db2.gz UDPWCWDWSPBRFN-GCJKJVERSA-N 2 0 350.510 3.117 20 0 FGADRP CC[NH+](CC)CCCC1CC[NH+](Cc2cnc(-c3cnn(C)c3)nc2)CC1 ZINC000474930575 501995578 /nfs/dbraw/zinc/99/55/78/501995578.db2.gz QQHSVGGILRWWMQ-UHFFFAOYSA-N 2 0 370.545 3.211 20 0 FGADRP CC1CC[NH+](CCCCNC(=O)CC[N@@H+]2CCc3ccccc3C2)CC1 ZINC000471413646 502018403 /nfs/dbraw/zinc/01/84/03/502018403.db2.gz ZMNREKVECPQCHI-UHFFFAOYSA-N 2 0 357.542 3.063 20 0 FGADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000468416442 502053385 /nfs/dbraw/zinc/05/33/85/502053385.db2.gz ILFDQWPRKAHHRE-QYZOEREBSA-N 2 0 357.542 3.408 20 0 FGADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCc1ccc(C[NH+]2CCC[C@@H](C)C2)cc1 ZINC000468430294 502056637 /nfs/dbraw/zinc/05/66/37/502056637.db2.gz SYUSKJOTAWIJSZ-QRVBRYPASA-N 2 0 357.542 3.408 20 0 FGADRP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)N(C)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000475098628 502058192 /nfs/dbraw/zinc/05/81/92/502058192.db2.gz TZPNJRXJOSOZKB-SVFBPWRDSA-N 2 0 372.557 3.165 20 0 FGADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N(C)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000475113241 502064204 /nfs/dbraw/zinc/06/42/04/502064204.db2.gz GBCLQSHWRBYMAO-RTWAWAEBSA-N 2 0 372.557 3.167 20 0 FGADRP COc1ccc2oc([C@H](C)[NH2+]C[C@H](C)CN3CC[NH+](C)CC3)c(C)c2c1 ZINC000482436887 502067561 /nfs/dbraw/zinc/06/75/61/502067561.db2.gz JUJLMRLAJRVERK-RDJZCZTQSA-N 2 0 359.514 3.284 20 0 FGADRP CC[C@H]([NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1)c1cccs1 ZINC000482452391 502071699 /nfs/dbraw/zinc/07/16/99/502071699.db2.gz KSKGJRWXDXMYLJ-KRWDZBQOSA-N 2 0 359.543 3.181 20 0 FGADRP CC(C)[C@H]1CCCC[C@@H]1[NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000482451705 502072523 /nfs/dbraw/zinc/07/25/23/502072523.db2.gz LGQFKRVAVZASKE-UXHICEINSA-N 2 0 359.562 3.183 20 0 FGADRP CC[NH+](CC)Cc1cccc(CNC(=O)N2CC[C@H]([NH+]3CCCC3)[C@H]2C)c1 ZINC000478769868 502081144 /nfs/dbraw/zinc/08/11/44/502081144.db2.gz MUQPCFJQBJBIQA-NQIIRXRSSA-N 2 0 372.557 3.297 20 0 FGADRP C[C@H]([NH2+]CCc1ccc(OCC[NH+](C)C)cc1)c1ccc2c(c1)OCO2 ZINC000482549606 502107511 /nfs/dbraw/zinc/10/75/11/502107511.db2.gz AMEKFBRLKPZEFH-INIZCTEOSA-N 2 0 356.466 3.249 20 0 FGADRP COc1ccc([C@@H](C)[NH2+]CCC[N@@H+]2CCC[C@@H](C(N)=O)C2)c2ccccc12 ZINC000482560207 502111303 /nfs/dbraw/zinc/11/13/03/502111303.db2.gz ZTBWQZMULPMCNV-IAGOWNOFSA-N 2 0 369.509 3.086 20 0 FGADRP CC[C@H](CSc1ccc(Cl)cc1)[NH2+]CCCN1CCC[C@H]1C(N)=O ZINC000482634884 502134070 /nfs/dbraw/zinc/13/40/70/502134070.db2.gz JQUMKMPFUAZPIL-WBVHZDCISA-N 2 0 369.962 3.140 20 0 FGADRP CCc1ccc([C@H](CNC(=O)N(CC)CCC[NH+]2CCCC2)[NH+](C)C)cc1 ZINC000471835804 502150099 /nfs/dbraw/zinc/15/00/99/502150099.db2.gz QLPNZKXKPKXMJF-NRFANRHFSA-N 2 0 374.573 3.369 20 0 FGADRP C[C@H](C[NH+]1CCCCCC1)NC(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000482683931 502151351 /nfs/dbraw/zinc/15/13/51/502151351.db2.gz ZPHUXWMJIVVXAN-LJQANCHMSA-N 2 0 372.557 3.346 20 0 FGADRP C[C@@H](C(=O)N1CCC([N@@H+]2CCc3ccccc3C2)CC1)[NH+]1CCCCCC1 ZINC000468716221 502157959 /nfs/dbraw/zinc/15/79/59/502157959.db2.gz UMAWGFZAOGDFTR-IBGZPJMESA-N 2 0 369.553 3.300 20 0 FGADRP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)NCCC[NH2+]C1CCCCC1 ZINC000461714708 502177467 /nfs/dbraw/zinc/17/74/67/502177467.db2.gz JLFKHONCDSYBEW-GOSISDBHSA-N 2 0 360.546 3.119 20 0 FGADRP C[C@@H](C[NH+]1CCCCCC1)NC(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000472195880 502266342 /nfs/dbraw/zinc/26/63/42/502266342.db2.gz VWJPWFLBMIUZNX-PZJWPPBQSA-N 2 0 372.557 3.072 20 0 FGADRP C[C@H]1CCCN1C(=O)CC[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000475727569 502268411 /nfs/dbraw/zinc/26/84/11/502268411.db2.gz FKYHVRFWHBNEAI-NZQKXSOJSA-N 2 0 369.553 3.376 20 0 FGADRP C[C@@H]([NH2+]CCCC[NH+]1CCN(CCO)CC1)c1ccc(Cl)cc1Cl ZINC000483113127 502277927 /nfs/dbraw/zinc/27/79/27/502277927.db2.gz ANSMJOAURNTSIV-OAHLLOKOSA-N 2 0 374.356 3.034 20 0 FGADRP C[C@H]1C[C@H](CCNC(=O)CC2CC[NH+](C)CC2)C[N@@H+]1Cc1ccccc1 ZINC000486910455 502300479 /nfs/dbraw/zinc/30/04/79/502300479.db2.gz HYKRGKUYFRIWFK-RXVVDRJESA-N 2 0 357.542 3.135 20 0 FGADRP O[C@]1(C[NH2+][C@@H]2Cc3ccc(Cl)cc3C2)CCN(Cc2ccccc2)C1 ZINC000462115147 502311632 /nfs/dbraw/zinc/31/16/32/502311632.db2.gz DASLLTQQZXSXHE-RTWAWAEBSA-N 2 0 356.897 3.034 20 0 FGADRP CC[NH+]1CCC(CCNC(=O)NC[C@H](C(C)C)[NH+]2CCCCCC2)CC1 ZINC000465585745 502315979 /nfs/dbraw/zinc/31/59/79/502315979.db2.gz TUKITPQCDBMOTD-HXUWFJFHSA-N 2 0 366.594 3.308 20 0 FGADRP CC[C@@H](C(=O)N1CCN([C@@H](C)c2cccc(OC)c2)CC1)[NH+](CC)CC ZINC000469195752 502332912 /nfs/dbraw/zinc/33/29/12/502332912.db2.gz NJHVJCVUUNJUTP-PXNSSMCTSA-N 2 0 361.530 3.021 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)N(C)CC[C@H]2CCCC[NH+]2C)C1 ZINC000465747427 502369160 /nfs/dbraw/zinc/36/91/60/502369160.db2.gz FNMFPTHAPVCNMN-CEXWTWQISA-N 2 0 366.594 3.259 20 0 FGADRP Cc1nccn1CCCCNC(=O)N[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000465756192 502372394 /nfs/dbraw/zinc/37/23/94/502372394.db2.gz MOZODTOJJTYCKY-PXNSSMCTSA-N 2 0 369.513 3.106 20 0 FGADRP CCCN(CC[NH+]1CCCC1)C(=O)NCCCC[NH+]1CCC(C)CC1 ZINC000479789726 502378450 /nfs/dbraw/zinc/37/84/50/502378450.db2.gz SGJAAYHYIPVWIJ-UHFFFAOYSA-N 2 0 352.567 3.016 20 0 FGADRP CCC[N@H+](CCCN1CC[NH+](C(C)C)CC1)[C@@H]1C[C@H](OCC)C1(C)C ZINC000472600101 502398268 /nfs/dbraw/zinc/39/82/68/502398268.db2.gz XKQWHIVLAIFJEV-UXHICEINSA-N 2 0 353.595 3.318 20 0 FGADRP O=C(CN1CC[C@]2(CC[NH2+]C2)C1)Nc1ccc(Oc2ccccc2)cc1 ZINC000462390059 502417963 /nfs/dbraw/zinc/41/79/63/502417963.db2.gz ATTPPRMRLDTCPT-NRFANRHFSA-N 2 0 351.450 3.103 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)NCC1([NH2+][C@H](C)c2ccccc2)CCCC1 ZINC000465910798 502424604 /nfs/dbraw/zinc/42/46/04/502424604.db2.gz ONOLGRUPURGMMJ-UYAOXDASSA-N 2 0 372.557 3.434 20 0 FGADRP CC1CC[NH+](Cc2cccc(CNC(=O)N[C@H]3CC[N@H+](C)[C@@H](C)C3)c2)CC1 ZINC000465929284 502430285 /nfs/dbraw/zinc/43/02/85/502430285.db2.gz DUZMLTSHIIKTIV-RXVVDRJESA-N 2 0 372.557 3.200 20 0 FGADRP CC(C)[C@H](C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1)[NH+](C)C ZINC000483558510 502431657 /nfs/dbraw/zinc/43/16/57/502431657.db2.gz JIGPKKFTJBXAHI-QHAWAJNXSA-N 2 0 357.542 3.086 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NCc2ccccc2C[NH+]2CCCC2)C[C@H]1C ZINC000483682954 502462137 /nfs/dbraw/zinc/46/21/37/502462137.db2.gz LDBCEFXRVZMFJB-NQIIRXRSSA-N 2 0 372.557 3.297 20 0 FGADRP CC[NH+]1CCC(CCNC(=O)NCC[C@H](C)[N@H+](C)Cc2ccccc2)CC1 ZINC000472982122 502490863 /nfs/dbraw/zinc/49/08/63/502490863.db2.gz ASYPZFMVXXDUAD-IBGZPJMESA-N 2 0 374.573 3.318 20 0 FGADRP C[C@H]1C[NH+](CC2CC[NH+](CCCOCCc3ccccc3)CC2)C[C@H](C)O1 ZINC000588711551 506316532 /nfs/dbraw/zinc/31/65/32/506316532.db2.gz QCPXWYDWOGUDOJ-SFTDATJTSA-N 2 0 374.569 3.457 20 0 FGADRP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)Nc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000582594246 506316588 /nfs/dbraw/zinc/31/65/88/506316588.db2.gz FIFRSQKSICRXIE-INIZCTEOSA-N 2 0 358.530 3.354 20 0 FGADRP Cc1cc(N2CC[N@@H+](C[C@H](C)O)C[C@@H]2C)c2cc(OC(F)F)ccc2[nH+]1 ZINC000480191337 502496533 /nfs/dbraw/zinc/49/65/33/502496533.db2.gz OHFPYUPCYSNKRQ-KBPBESRZSA-N 2 0 365.424 3.036 20 0 FGADRP CCC(CC)[C@@H](CNC(=O)NC[C@@H]1CCCC[N@@H+]1CC)[NH+]1CCCC1 ZINC000476481373 502500818 /nfs/dbraw/zinc/50/08/18/502500818.db2.gz BODOURAOCDYODV-RBUKOAKNSA-N 2 0 352.567 3.061 20 0 FGADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)NCC1([N@@H+]2CCOC(C)(C)C2)CCCCC1 ZINC000476533799 502515887 /nfs/dbraw/zinc/51/58/87/502515887.db2.gz KYAKMFNSBXKGOO-KRWDZBQOSA-N 2 0 367.578 3.083 20 0 FGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(Cn3cccn3)cc2)[C@H](C)C1 ZINC000480263885 502517499 /nfs/dbraw/zinc/51/74/99/502517499.db2.gz ZKKQAIVRQUVSEQ-DENIHFKCSA-N 2 0 370.541 3.158 20 0 FGADRP C[NH+](C)[C@H]1CCCN(C(=O)NC[C@H]2CCCC[N@H+](Cc3ccccc3)C2)C1 ZINC000462750263 502557136 /nfs/dbraw/zinc/55/71/36/502557136.db2.gz NKLSFKADLOLASZ-RTWAWAEBSA-N 2 0 372.557 3.024 20 0 FGADRP COC(=O)CCCN1CCC([NH2+]C[C@@H]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000462783826 502570847 /nfs/dbraw/zinc/57/08/47/502570847.db2.gz WRTYNOZPWKGGTD-HUUCEWRRSA-N 2 0 364.452 3.362 20 0 FGADRP C[C@H]([NH2+]CC1(O)CC[NH+](C)CC1)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000484134148 502579665 /nfs/dbraw/zinc/57/96/65/502579665.db2.gz JUFDAPLKRHKSLA-STQMWFEESA-N 2 0 361.313 3.196 20 0 FGADRP COc1ccc(Cl)cc1[C@@H](CC(C)C)[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000484138499 502580633 /nfs/dbraw/zinc/58/06/33/502580633.db2.gz TUQHLISOTYIFOM-QGZVFWFLSA-N 2 0 354.922 3.482 20 0 FGADRP C[C@H](CNC(=O)N[C@@H](C)[C@@H](c1ccccc1)[NH+](C)C)C[NH+]1CCCCC1 ZINC000484284819 502614720 /nfs/dbraw/zinc/61/47/20/502614720.db2.gz PPMQWMGVABXGMA-HBFSDRIKSA-N 2 0 360.546 3.099 20 0 FGADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H](C)c2oc3ccc(OC)cc3c2C)CC1 ZINC000480618696 502622520 /nfs/dbraw/zinc/62/25/20/502622520.db2.gz PIANIYFNMAEBNG-RDJZCZTQSA-N 2 0 359.514 3.426 20 0 FGADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H](C)c2ccc(-c3ccncc3)cc2)CC1 ZINC000480619154 502623054 /nfs/dbraw/zinc/62/30/54/502623054.db2.gz XFFLGFCHGBQDHP-OALUTQOASA-N 2 0 352.526 3.425 20 0 FGADRP CN(CC[N@H+](C)CCc1cc(Cl)ccc1Cl)C1CC[NH+](C)CC1 ZINC000488124841 502635117 /nfs/dbraw/zinc/63/51/17/502635117.db2.gz LAWUKTKKLSJEPT-UHFFFAOYSA-N 2 0 358.357 3.494 20 0 FGADRP CC[NH+]1CCC(CC[NH2+][C@@H](C)[C@@H](c2ccccc2)N2CCOCC2)CC1 ZINC000480686380 502642416 /nfs/dbraw/zinc/64/24/16/502642416.db2.gz ONDRDHNNQBSRGS-UGKGYDQZSA-N 2 0 359.558 3.160 20 0 FGADRP Cc1ccc([C@H](CNC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)[NH+](C)C)cc1 ZINC000480725582 502653707 /nfs/dbraw/zinc/65/37/07/502653707.db2.gz YPNZTPULAKUQPO-CTNGQTDRSA-N 2 0 357.542 3.369 20 0 FGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC2(CC[NH+](Cc3ccccc3)C2)CC1 ZINC000477034351 502654888 /nfs/dbraw/zinc/65/48/88/502654888.db2.gz OYVOLGKCENBOPC-OAQYLSRUSA-N 2 0 369.553 3.376 20 0 FGADRP C[C@@H](NC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)c1cccc(Cl)c1 ZINC000488253316 502671158 /nfs/dbraw/zinc/67/11/58/502671158.db2.gz KTFMQCPWTUTWNB-MRXNPFEDSA-N 2 0 368.953 3.316 20 0 FGADRP CC[C@H](C)[NH2+][C@H](CNC(=O)N[C@H](C)C[N@@H+]1CCC[C@@H](C)C1)c1ccco1 ZINC000484613979 502683200 /nfs/dbraw/zinc/68/32/00/502683200.db2.gz CEMQYOAQUMDBAQ-XMTFNYHQSA-N 2 0 364.534 3.128 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1ccccc1NC1CC[NH+](C)CC1 ZINC000582620054 506328541 /nfs/dbraw/zinc/32/85/41/506328541.db2.gz YZGINQQOHMKFEV-QGZVFWFLSA-N 2 0 358.530 3.396 20 0 FGADRP CC[C@H](CNC(=O)CC[C@H]1CCCC[N@@H+]1C)[NH+]1CCc2ccccc2C1 ZINC000480920724 502705537 /nfs/dbraw/zinc/70/55/37/502705537.db2.gz KHXCHEYTWZDMRQ-NHCUHLMSSA-N 2 0 357.542 3.204 20 0 FGADRP C[NH+]1CCC(C[NH2+][C@@H]2CS[C@@H](C(C)(C)C)C2)(N2CCCCC2)CC1 ZINC000488418708 502709574 /nfs/dbraw/zinc/70/95/74/502709574.db2.gz FVMZDDZFEZYXMT-ZWKOTPCHSA-N 2 0 353.620 3.447 20 0 FGADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)N(CCCc1ccccc1)CC[NH+](C)C ZINC000477217984 502710901 /nfs/dbraw/zinc/71/09/01/502710901.db2.gz FBXPORQPMFHYHQ-OAQYLSRUSA-N 2 0 374.573 3.067 20 0 FGADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H](CO)Cc2ccccc2OC(F)(F)F)[C@H](C)C1 ZINC000470258914 502718600 /nfs/dbraw/zinc/71/86/00/502718600.db2.gz UHHDCDRTKQQGIO-VYDXJSESSA-N 2 0 374.447 3.056 20 0 FGADRP CC[N@H+](C)Cc1cccc(CNC(=O)N2CC[NH+](C3CCC3)C[C@@H](C)C2)c1 ZINC000488498439 502732654 /nfs/dbraw/zinc/73/26/54/502732654.db2.gz HAURIDJMSXZNSM-GOSISDBHSA-N 2 0 372.557 3.154 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H](NCC(C)(C)[NH+]2C[C@H](C)C[C@H](C)C2)[C@@H](C)C1 ZINC000481033793 502735699 /nfs/dbraw/zinc/73/56/99/502735699.db2.gz HVDXLFVPOVCXEY-WOZUAGRISA-N 2 0 367.622 3.470 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C)C[C@H]1C ZINC000463262979 502740358 /nfs/dbraw/zinc/74/03/58/502740358.db2.gz BNNFLENKJAGAKG-IZZBFERCSA-N 2 0 372.557 3.021 20 0 FGADRP COc1cc2c(cc1F)[nH+]ccc2N1CCN(c2cc[nH+]cc2OC)CC1 ZINC000481061949 502744198 /nfs/dbraw/zinc/74/41/98/502744198.db2.gz SWOXLNPMSVKLDP-UHFFFAOYSA-N 2 0 368.412 3.113 20 0 FGADRP CC[N@@H+]1C[C@H](C)N(C(=O)N[C@H](C)[C@@H]2CC[NH+](Cc3ccccc3)C2)C[C@@H]1C ZINC000488558964 502750904 /nfs/dbraw/zinc/75/09/04/502750904.db2.gz MYPUKZPMZAWSLN-CTAFRAEOSA-N 2 0 372.557 3.021 20 0 FGADRP CC[NH+](CC)CCOc1ccc(NC(=O)c2ccc3c(c2)C[NH2+]C3)cc1 ZINC000470366872 502751905 /nfs/dbraw/zinc/75/19/05/502751905.db2.gz INOLZHJTOHIILF-UHFFFAOYSA-N 2 0 353.466 3.263 20 0 FGADRP Cc1ccccc1C[NH+]1CCC(NC(=O)C[NH2+][C@@H]2CCC[C@@H](C)[C@@H]2C)CC1 ZINC000481186003 502777227 /nfs/dbraw/zinc/77/72/27/502777227.db2.gz HCYZZDJVXRPCJF-ZWCUEREDSA-N 2 0 371.569 3.490 20 0 FGADRP CCN(C(=O)N[C@H](C)CC[NH+](C)C)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000474009943 502778147 /nfs/dbraw/zinc/77/81/47/502778147.db2.gz MPFPNZHFLJNAFV-QWFCFKBJSA-N 2 0 360.546 3.194 20 0 FGADRP Cc1ccc(C)c(NC(=O)Cc2nc(CN3CC[C@@H]([C@@H](C)[NH3+])C3)cs2)c1 ZINC000484947715 502784695 /nfs/dbraw/zinc/78/46/95/502784695.db2.gz QKRJSXMPZSBPCS-HZPDHXFCSA-N 2 0 372.538 3.110 20 0 FGADRP CC(C)[NH+](CCCNC(=O)N1CCC[N@H+](Cc2ccccc2)CC1)C(C)C ZINC000470501150 502796928 /nfs/dbraw/zinc/79/69/28/502796928.db2.gz UDXKCOOTGPBVET-UHFFFAOYSA-N 2 0 374.573 3.413 20 0 FGADRP C[C@@H]1C[C@@H]([NH2+]CCNC(=O)CC2CCCC2)CCN1Cc1ccccc1 ZINC000513040043 502836323 /nfs/dbraw/zinc/83/63/23/502836323.db2.gz DVBIMAGKALKTBM-NQIIRXRSSA-N 2 0 357.542 3.326 20 0 FGADRP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000500769826 502859414 /nfs/dbraw/zinc/85/94/14/502859414.db2.gz SLJAOOHWJGQXOB-QZTJIDSGSA-N 2 0 352.567 3.013 20 0 FGADRP C[NH+](C)CCCC1CCN(C(=O)NC[C@@H](C2CCCCC2)[NH+](C)C)CC1 ZINC000500812814 502869540 /nfs/dbraw/zinc/86/95/40/502869540.db2.gz MAGYNFLJTWKHQG-FQEVSTJZSA-N 2 0 366.594 3.260 20 0 FGADRP C[C@H]1CCCC[C@H]1N(C)C(=O)C[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501023694 502914407 /nfs/dbraw/zinc/91/44/07/502914407.db2.gz UNBIUPMITFQCBF-GHTZIAJQSA-N 2 0 372.557 3.267 20 0 FGADRP C[C@@H](C(=O)NCC1CCCCC1)[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501027683 502916192 /nfs/dbraw/zinc/91/61/92/502916192.db2.gz KYIIUIBTDOWHRO-SFHVURJKSA-N 2 0 372.557 3.315 20 0 FGADRP COC(=O)c1ccc([C@H](C)[N@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)o1 ZINC000501045741 502920551 /nfs/dbraw/zinc/92/05/51/502920551.db2.gz KBWCCCIKFCHWMX-HNNXBMFYSA-N 2 0 357.454 3.371 20 0 FGADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)NC[C@H](c1ccc(C)cc1)[NH+](C)C ZINC000501045898 502920928 /nfs/dbraw/zinc/92/09/28/502920928.db2.gz OFXPEQHMUJEIJR-WOJBJXKFSA-N 2 0 360.546 3.161 20 0 FGADRP C[C@@H](C(=O)N[C@@H]1CCCC[C@H]1C)[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501054759 502922932 /nfs/dbraw/zinc/92/29/32/502922932.db2.gz VBGWNIADWICTEV-LVCYWYKZSA-N 2 0 372.557 3.313 20 0 FGADRP COc1ccc(OCC[N@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000501055434 502923670 /nfs/dbraw/zinc/92/36/70/502923670.db2.gz SKVFIYJHYAZIFG-UHFFFAOYSA-N 2 0 355.482 3.317 20 0 FGADRP CC[C@@H](C)[NH2+][C@@H](CNC(=O)NCC[N@@H+]1CCCC(C)(C)C1)c1ccco1 ZINC000509586531 502942003 /nfs/dbraw/zinc/94/20/03/502942003.db2.gz HIWVRARCKIFJFS-SJORKVTESA-N 2 0 364.534 3.130 20 0 FGADRP CC(C)[C@@H](CNC(=O)N1CCC[C@H]([NH+]2CCCC2)C1)[NH+]1CCC(C)CC1 ZINC000501150605 502949547 /nfs/dbraw/zinc/94/95/47/502949547.db2.gz NGWOWITWSVIKQN-VQTJNVASSA-N 2 0 364.578 3.013 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)NCC1([NH+](C)C)CCCC1)c1ccsc1 ZINC000501154015 502950003 /nfs/dbraw/zinc/95/00/03/502950003.db2.gz LVKNPRPVHVGZNY-KRWDZBQOSA-N 2 0 366.575 3.305 20 0 FGADRP CC(C)C[NH+]1CCC(NC(=O)NC[C@H](C(C)C)[NH+]2CCC(C)CC2)CC1 ZINC000501153638 502950430 /nfs/dbraw/zinc/95/04/30/502950430.db2.gz KLSHPQCICKDAJF-HXUWFJFHSA-N 2 0 366.594 3.163 20 0 FGADRP CC[NH+](CC)Cc1ccc(C(=O)N[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)cc1 ZINC000513613919 502980668 /nfs/dbraw/zinc/98/06/68/502980668.db2.gz UXXYXFZUJVTATP-YADHBBJMSA-N 2 0 365.521 3.356 20 0 FGADRP CC[NH+](CC)CC1CCN(C(=O)NC[C@H](C2CCCCC2)[NH+](C)C)CC1 ZINC000501379472 502996670 /nfs/dbraw/zinc/99/66/70/502996670.db2.gz AZDAWIAWKWDUMJ-HXUWFJFHSA-N 2 0 366.594 3.260 20 0 FGADRP C[N@@H+](Cc1ccccc1)CC1CC[NH+](C[C@H](O)COc2ccccc2)CC1 ZINC000489632199 503002046 /nfs/dbraw/zinc/00/20/46/503002046.db2.gz GILHMELCEWYPKT-QFIPXVFZSA-N 2 0 368.521 3.270 20 0 FGADRP CSc1ccccc1[C@@H](C)[NH2+]CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000501491912 503019703 /nfs/dbraw/zinc/01/97/03/503019703.db2.gz PFPRFGIBAKOIPV-APWZRJJASA-N 2 0 371.550 3.478 20 0 FGADRP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)NC[C@@H](c2ccsc2)[NH+](C)C)C1 ZINC000501494162 503020818 /nfs/dbraw/zinc/02/08/18/503020818.db2.gz FUDRNCQQXDTVLB-NUJGCVRESA-N 2 0 366.575 3.018 20 0 FGADRP C[C@H]1CCCC[N@@H+]1CCNC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000501547174 503034795 /nfs/dbraw/zinc/03/47/95/503034795.db2.gz SIAZZKRZAAWTIZ-IBGZPJMESA-N 2 0 372.557 3.346 20 0 FGADRP CC[NH+](CC)Cc1ccccc1CNC(=O)NCC[N@@H+]1CCC[C@H](C)C1 ZINC000501550991 503035271 /nfs/dbraw/zinc/03/52/71/503035271.db2.gz MEBHAPUNWUHKNE-SFHVURJKSA-N 2 0 360.546 3.060 20 0 FGADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000513891555 503043229 /nfs/dbraw/zinc/04/32/29/503043229.db2.gz ITOIZZQYKRYKHR-SVFBPWRDSA-N 2 0 372.557 3.243 20 0 FGADRP C[C@]1(c2ccccc2)CCC[N@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)CC1 ZINC000510097995 503048729 /nfs/dbraw/zinc/04/87/29/503048729.db2.gz HYJWIUNRLDXHIN-QHCPKHFHSA-N 2 0 369.553 3.173 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)[C@H](C)CN1C(=O)c1cccc(C[NH+](C)C)c1 ZINC000501619031 503050831 /nfs/dbraw/zinc/05/08/31/503050831.db2.gz PBGGMSZJRLAMBV-RTBURBONSA-N 2 0 365.521 3.483 20 0 FGADRP C[N@H+](CCNC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)C1CCCCC1 ZINC000514017220 503069855 /nfs/dbraw/zinc/06/98/55/503069855.db2.gz FLPIRIAVODWVMG-UHFFFAOYSA-N 2 0 372.557 3.346 20 0 FGADRP CCCC[N@H+](C)CC1CCN([C@H](C(=O)OC)c2ccc(F)cc2)CC1 ZINC000510264050 503081255 /nfs/dbraw/zinc/08/12/55/503081255.db2.gz KHIQBWNHCSBDCX-IBGZPJMESA-N 2 0 350.478 3.484 20 0 FGADRP Cc1nn(Cc2ccc(C)cc2)c(C)c1CN1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000489986537 503082880 /nfs/dbraw/zinc/08/28/80/503082880.db2.gz FJHGSOMKVKJNCY-QFIPXVFZSA-N 2 0 352.526 3.432 20 0 FGADRP CC1(C)CCCC[C@H]1CC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000501808515 503084313 /nfs/dbraw/zinc/08/43/13/503084313.db2.gz ZUHUNAHHAUXBBC-IBGZPJMESA-N 2 0 372.557 3.316 20 0 FGADRP CC(C)CN(CC[NH+](C)C)C(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000501809707 503084779 /nfs/dbraw/zinc/08/47/79/503084779.db2.gz LLTYQNWSYBPXFC-HXUWFJFHSA-N 2 0 360.546 3.053 20 0 FGADRP CC[NH+](CC)CCOc1ccccc1C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000514098154 503087172 /nfs/dbraw/zinc/08/71/72/503087172.db2.gz DRQKDGOYCSJGIU-NJDAHSKKSA-N 3 0 359.558 3.370 20 0 FGADRP [NH3+]CCC[N@@H+](Cc1c[nH]nc1-c1ccc2c(c1)OCCO2)CC1CCCC1 ZINC000490010857 503089541 /nfs/dbraw/zinc/08/95/41/503089541.db2.gz DCZSMHCCTLVAOQ-UHFFFAOYSA-N 2 0 370.497 3.189 20 0 FGADRP C[C@H]1C[C@@H](CCNC(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)C[NH+]1Cc1ccccc1 ZINC000510326652 503092987 /nfs/dbraw/zinc/09/29/87/503092987.db2.gz ZCTVTVVIRJDRJX-KOUHRCEDSA-N 2 0 372.557 3.069 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1CCCNC(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000501846881 503093384 /nfs/dbraw/zinc/09/33/84/503093384.db2.gz AZHPHKYHROTULX-TZIWHRDSSA-N 2 0 372.557 3.387 20 0 FGADRP Cc1ccc([C@H](CNC(=O)NCC[N@H+]2CCC[C@@H](C)C2)[NH+]2CCCC2)cc1 ZINC000514221439 503117022 /nfs/dbraw/zinc/11/70/22/503117022.db2.gz HTZHGIOVNRYSNF-CTNGQTDRSA-N 2 0 372.557 3.163 20 0 FGADRP CCCC[NH+]1CCC(NC(=O)N[C@H](C)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000490195753 503128024 /nfs/dbraw/zinc/12/80/24/503128024.db2.gz CXSKXWNPZSCZTQ-YLJYHZDGSA-N 2 0 360.546 3.242 20 0 FGADRP CC[NH+](CC)Cc1ccc(CNC(=O)N2C[C@@H](C)[N@H+](CC)C[C@@H]2C)cc1 ZINC000498250032 503141939 /nfs/dbraw/zinc/14/19/39/503141939.db2.gz HAEBJCZSHOFTNR-MSOLQXFVSA-N 2 0 360.546 3.153 20 0 FGADRP O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)Nc1ccc2c(c1)C[NH2+]C2 ZINC000514588985 503142484 /nfs/dbraw/zinc/14/24/84/503142484.db2.gz GIAQLRBIUQIYBR-FQEVSTJZSA-N 2 0 350.466 3.248 20 0 FGADRP C[NH2+][C@@H](CC(C)(C)C)C(=O)Nc1ccccc1CN1C[C@@H](C)O[C@@H](C)C1 ZINC000514604059 503147210 /nfs/dbraw/zinc/14/72/10/503147210.db2.gz AGFIOHHZDSPKOT-FCEWJHQRSA-N 2 0 361.530 3.259 20 0 FGADRP CCC[NH+]1CCC(NC(=O)NCC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000502163148 503153345 /nfs/dbraw/zinc/15/33/45/503153345.db2.gz RJJMUUDQGFTZSV-UHFFFAOYSA-N 2 0 372.557 3.072 20 0 FGADRP CSC1(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)CC[NH+](C)CC1 ZINC000514636619 503154931 /nfs/dbraw/zinc/15/49/31/503154931.db2.gz AUUGJGLYCCPVNS-AZUAARDMSA-N 3 0 361.599 3.314 20 0 FGADRP C[C@H](CCc1c(F)cccc1F)[NH2+]C1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000510696194 503174261 /nfs/dbraw/zinc/17/42/61/503174261.db2.gz QKUXRMXEDUHENC-VOBQZIQPSA-N 2 0 352.469 3.253 20 0 FGADRP CCc1cc(OC)ccc1C[NH+]1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000502283212 503174410 /nfs/dbraw/zinc/17/44/10/503174410.db2.gz PRFFCCRCKQSBCP-UHFFFAOYSA-N 2 0 359.558 3.248 20 0 FGADRP Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)[C@H]1[NH2+]CCCC1(C)C ZINC000514793147 503194991 /nfs/dbraw/zinc/19/49/91/503194991.db2.gz TXOTYVHJPIXQSF-GOSISDBHSA-N 2 0 361.555 3.261 20 0 FGADRP COc1c(O)cccc1C[NH+]1CCC(CC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000490569609 503196814 /nfs/dbraw/zinc/19/68/14/503196814.db2.gz OXGRDYRUNAVTQJ-IRXDYDNUSA-N 2 0 362.514 3.112 20 0 FGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+]C/C(C)=C/c2ccccc2COC)CC1 ZINC000510845928 503203511 /nfs/dbraw/zinc/20/35/11/503203511.db2.gz PHMUYPVQXKMSID-IAERKFLBSA-N 2 0 359.558 3.100 20 0 FGADRP COCc1ccccc1/C=C(\C)C[NH2+]CC1CC[NH+](CCN(C)C)CC1 ZINC000510872219 503207493 /nfs/dbraw/zinc/20/74/93/503207493.db2.gz LJSOVUQNUBKKLQ-XDJHFCHBSA-N 2 0 359.558 3.100 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)c1ccccc1C[NH+](C)C)Cc1ccccc1 ZINC000498555921 503209393 /nfs/dbraw/zinc/20/93/93/503209393.db2.gz CGGYODDPAJPHKI-OAQYLSRUSA-N 2 0 367.537 3.431 20 0 FGADRP [NH3+][C@@H]1CCCC[C@@H]1CC(=O)N(Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000515004560 503248680 /nfs/dbraw/zinc/24/86/80/503248680.db2.gz WVSITUVBAGKVSY-KURKYZTESA-N 2 0 361.555 3.126 20 0 FGADRP CCCC[N@H+](C)CCNC(=O)NC[C@@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC000490988242 503256416 /nfs/dbraw/zinc/25/64/16/503256416.db2.gz LIBDDYRVPLBOEG-FQEVSTJZSA-N 2 0 360.546 3.163 20 0 FGADRP CCCC[N@H+](C)CCNC(=O)NC[C@H]1CCCC[NH+]1Cc1ccccc1 ZINC000490999570 503257843 /nfs/dbraw/zinc/25/78/43/503257843.db2.gz KUIXVLAGYQSYRK-HXUWFJFHSA-N 2 0 360.546 3.072 20 0 FGADRP Cc1ccc(-c2nc(CN3CC[C@H]([NH+]4CCN(C)CC4)[C@@H](C)C3)co2)cc1 ZINC000490996791 503257934 /nfs/dbraw/zinc/25/79/34/503257934.db2.gz RIEOUDWFDLTAHL-RXVVDRJESA-N 2 0 368.525 3.108 20 0 FGADRP Cc1ccc(-c2nc(CN3CC[C@@H]([NH+]4CCN(C)CC4)[C@@H](C)C3)co2)cc1 ZINC000490996785 503258273 /nfs/dbraw/zinc/25/82/73/503258273.db2.gz RIEOUDWFDLTAHL-GHTZIAJQSA-N 2 0 368.525 3.108 20 0 FGADRP Fc1ccc(C(C[NH+]2CCN([C@H]3CC[NH2+]C3)CC2)c2ccc(F)cc2)cc1 ZINC000491114267 503275061 /nfs/dbraw/zinc/27/50/61/503275061.db2.gz VNGQDXJOZDAIRS-NRFANRHFSA-N 2 0 371.475 3.076 20 0 FGADRP CC1CC[NH+](C[C@@H]2CCCN(C[C@@H](O)COc3ccccc3F)C2)CC1 ZINC000498858425 503277002 /nfs/dbraw/zinc/27/70/02/503277002.db2.gz UNGGFHHVKHKSPQ-RBUKOAKNSA-N 2 0 364.505 3.009 20 0 FGADRP COC(=O)c1ccc(F)c(C[N@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000511215644 503281488 /nfs/dbraw/zinc/28/14/88/503281488.db2.gz IPIFUFIXFJZARA-UHFFFAOYSA-N 2 0 371.456 3.356 20 0 FGADRP C[C@H]1CCC[N@H+](CCCCNC(=O)NC[C@H](c2cccs2)[NH+](C)C)C1 ZINC000502823041 503282064 /nfs/dbraw/zinc/28/20/64/503282064.db2.gz DMJJUCUAONOBKA-DLBZAZTESA-N 2 0 366.575 3.162 20 0 FGADRP CC[N@@H+]1CCC[C@@H](CNC(=O)NC2CC[NH+]([C@H](C)c3ccccc3)CC2)C1 ZINC000507415172 503295889 /nfs/dbraw/zinc/29/58/89/503295889.db2.gz UCYRSCISSPFLMV-MOPGFXCFSA-N 2 0 372.557 3.243 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)[C@H](C)CN1C(=O)CC[C@@H]1CCCC[NH+]1C ZINC000502884861 503298343 /nfs/dbraw/zinc/29/83/43/503298343.db2.gz LGFQYABUHHPAMP-SBHAEUEKSA-N 2 0 357.542 3.372 20 0 FGADRP C[C@@H]1CN(C(=O)CC[C@@H]2CCCC[NH+]2C)[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC000502884860 503298557 /nfs/dbraw/zinc/29/85/57/503298557.db2.gz LGFQYABUHHPAMP-DYXWJJEUSA-N 2 0 357.542 3.372 20 0 FGADRP Cc1cccc(NCC[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC000507464382 503303142 /nfs/dbraw/zinc/30/31/42/503303142.db2.gz XJSUNZIUIIRRQA-PCCBWWKXSA-N 2 0 350.510 3.302 20 0 FGADRP CN(C)[C@H](C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000515301585 503309516 /nfs/dbraw/zinc/30/95/16/503309516.db2.gz NFTTVHACOBNNCQ-RTWAWAEBSA-N 2 0 351.494 3.022 20 0 FGADRP CC[C@H]([NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1c(C)nn(C)c1C ZINC000515413292 503333214 /nfs/dbraw/zinc/33/32/14/503333214.db2.gz QZICTCPZXFRAEK-WFXMLNOXSA-N 2 0 354.498 3.334 20 0 FGADRP C[C@@H]1COCCN1C1CC[NH+](CCc2cccc(OC(F)(F)F)c2)CC1 ZINC000515495596 503351206 /nfs/dbraw/zinc/35/12/06/503351206.db2.gz HXBANTLDIPFNLJ-OAHLLOKOSA-N 2 0 372.431 3.313 20 0 FGADRP COCc1ccccc1/C=C(\C)C[NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000511603633 503353388 /nfs/dbraw/zinc/35/33/88/503353388.db2.gz BPXSYMQLMLPYBT-SENZLTECSA-N 2 0 358.526 3.204 20 0 FGADRP CC[NH+]1CCN(c2ccccc2NC(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC000493005470 503399974 /nfs/dbraw/zinc/39/99/74/503399974.db2.gz SFPGBZBNTDRIQS-UHFFFAOYSA-N 2 0 372.557 3.279 20 0 FGADRP COc1ccccc1[C@H](CNC(=O)[C@H](C)[NH+]1[C@H](C)CC[C@H]1C)[NH+]1CCCC1 ZINC000507945151 503402046 /nfs/dbraw/zinc/40/20/46/503402046.db2.gz PDSMUDCPCQUCQV-XSYGEPLQSA-N 2 0 373.541 3.210 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1csc2c1CCCC2 ZINC000499506867 503420862 /nfs/dbraw/zinc/42/08/62/503420862.db2.gz HOGHRCLEMTZXNI-INIZCTEOSA-N 2 0 363.571 3.115 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccc2[nH]c(C)c(C)c2c1 ZINC000508089926 503428764 /nfs/dbraw/zinc/42/87/64/503428764.db2.gz QMESFRUXLCPLIE-LJQANCHMSA-N 2 0 370.541 3.273 20 0 FGADRP CC[C@H]1C[C@@H](C[NH2+]CCCC[NH+]2CCN(Cc3ccccc3)CC2)CCO1 ZINC000503575873 503439814 /nfs/dbraw/zinc/43/98/14/503439814.db2.gz LAOUONKRKHHKGO-GOTSBHOMSA-N 2 0 373.585 3.379 20 0 FGADRP Cc1nc2c(F)cccc2cc1C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000516072657 503440382 /nfs/dbraw/zinc/44/03/82/503440382.db2.gz ADRRKBCPKYGKCD-UHFFFAOYSA-N 2 0 374.504 3.028 20 0 FGADRP CCc1ccc(C[NH2+]Cc2ccc(CN3CC[NH+](CC)CC3)cc2)cn1 ZINC000512086806 503454211 /nfs/dbraw/zinc/45/42/11/503454211.db2.gz HBMXDYLBHIEMCG-UHFFFAOYSA-N 2 0 352.526 3.071 20 0 FGADRP C[C@@H]([NH2+]C1(CNC(=O)N(C)CC[NH+]2CCCC2)CCCC1)c1ccccc1 ZINC000503733805 503466396 /nfs/dbraw/zinc/46/63/96/503466396.db2.gz FEORWVVKIVQVKE-LJQANCHMSA-N 2 0 372.557 3.387 20 0 FGADRP CCCc1csc(C[NH2+]CC2(N3CCCCC3)CC[NH+](C)CC2)n1 ZINC000494047577 503479177 /nfs/dbraw/zinc/47/91/77/503479177.db2.gz IYDSRBFSXRZEDW-UHFFFAOYSA-N 2 0 350.576 3.136 20 0 FGADRP C[C@H]1CCCCC[N@@H+]1CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000512186138 503480278 /nfs/dbraw/zinc/48/02/78/503480278.db2.gz SYIRHVJOAVNNMI-KRWDZBQOSA-N 2 0 361.555 3.438 20 0 FGADRP CC(C)[NH+](CCN(C)C(=O)NCCC[NH+]1C[C@@H](C)C[C@H](C)C1)C(C)C ZINC000503978548 503503114 /nfs/dbraw/zinc/50/31/14/503503114.db2.gz QONBEHLPWZWZHY-OALUTQOASA-N 2 0 354.583 3.115 20 0 FGADRP C[C@H]1CCC[C@](CNC(=O)NCc2ccc(C[NH+](C)C)cc2)([NH+](C)C)C1 ZINC000516560586 503536250 /nfs/dbraw/zinc/53/62/50/503536250.db2.gz TXZHOMCPMNZCJH-UWJYYQICSA-N 2 0 360.546 3.058 20 0 FGADRP C[C@@H](CNC(=O)NCc1cccc(C[NH+]2CCCC2)c1)[N@@H+]1CCC[C@H](C)C1 ZINC000500102736 503554508 /nfs/dbraw/zinc/55/45/08/503554508.db2.gz FSVVDRBVNAJEMV-OALUTQOASA-N 2 0 372.557 3.202 20 0 FGADRP CC[NH+]1CCN(c2ccccc2C[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)CC1 ZINC000494580894 503568379 /nfs/dbraw/zinc/56/83/79/503568379.db2.gz SMYDPPOEAGSPJL-UHFFFAOYSA-N 3 0 358.574 3.227 20 0 FGADRP c1onc(Cc2ccccc2)c1C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000508813011 503568522 /nfs/dbraw/zinc/56/85/22/503568522.db2.gz PKQYJMAKVFAKAY-UHFFFAOYSA-N 2 0 369.509 3.342 20 0 FGADRP CC(C)[NH+](CCN(C)C(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1)C(C)C ZINC000504427634 503573273 /nfs/dbraw/zinc/57/32/73/503573273.db2.gz SGZYIRRLOFIXKV-IBGZPJMESA-N 2 0 352.567 3.011 20 0 FGADRP CCCNC(=O)[C@H]1CCC[N@H+](CC(C)(C)C[NH+](C)Cc2ccccc2)C1 ZINC000512536474 503579012 /nfs/dbraw/zinc/57/90/12/503579012.db2.gz IXFVFFNEOUMUJF-FQEVSTJZSA-N 2 0 359.558 3.383 20 0 FGADRP Cc1ccccc1[C@H]([C@H](C)NC(=O)N1C[C@H]([NH+]2CCCC2)C[C@H]1C)[NH+](C)C ZINC000508902531 503595247 /nfs/dbraw/zinc/59/52/47/503595247.db2.gz WQTRIEKFCQTLBL-HDAAZOAOSA-N 2 0 372.557 3.254 20 0 FGADRP O[C@H](C[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)Cc1ccccc1 ZINC000512613475 503595299 /nfs/dbraw/zinc/59/52/99/503595299.db2.gz RUOQMTKDVMHWNU-NEWJYFPISA-N 2 0 364.533 3.480 20 0 FGADRP C[C@H](NC(=O)N(C)CC[C@H]1CCCC[N@@H+]1C)[C@@H](c1ccccc1)[NH+](C)C ZINC000508903129 503595427 /nfs/dbraw/zinc/59/54/27/503595427.db2.gz FHMKEGSXVSPATK-SXLOBPIMSA-N 2 0 360.546 3.194 20 0 FGADRP CN(C)[C@]1(C[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CCSC1 ZINC000512625915 503597647 /nfs/dbraw/zinc/59/76/47/503597647.db2.gz QWRFTLFFIBWKGQ-MBDNFAEBSA-N 2 0 373.610 3.314 20 0 FGADRP FC(F)(F)COCC[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000512637198 503600439 /nfs/dbraw/zinc/60/04/39/503600439.db2.gz SMWWXZIEEAUFAU-FGTMMUONSA-N 2 0 356.432 3.456 20 0 FGADRP c1[nH]nc2c1CC[C@@H]([NH2+][C@H]1CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]31)C2 ZINC000512640995 503601474 /nfs/dbraw/zinc/60/14/74/503601474.db2.gz CEDDINIBMKUAIA-WOZUAGRISA-N 2 0 350.510 3.157 20 0 FGADRP C[C@@H]1CCC[C@H]([NH2+]Cc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)[C@@H]1C ZINC000512673585 503609224 /nfs/dbraw/zinc/60/92/24/503609224.db2.gz RHLUEXBYSPLZFO-DGQTTZFYSA-N 2 0 357.542 3.298 20 0 FGADRP [NH3+][C@H]1CCC[C@H](NCc2ccc(Cl)cc2I)C1 ZINC000516981018 503637004 /nfs/dbraw/zinc/63/70/04/503637004.db2.gz HDYLRXVKUCVNPT-RYUDHWBXSA-N 2 0 364.658 3.304 20 0 FGADRP CCOc1ccc(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)cc1F ZINC000494969057 503643521 /nfs/dbraw/zinc/64/35/21/503643521.db2.gz AEJFWAGRCWQBSR-UHFFFAOYSA-N 2 0 350.478 3.301 20 0 FGADRP Cc1ccccc1[C@@H]([NH2+]CCCC[NH+]1CCN(CCO)CC1)C1CCCC1 ZINC000495069641 503657537 /nfs/dbraw/zinc/65/75/37/503657537.db2.gz MOLOIFDHQQVXHP-QHCPKHFHSA-N 2 0 373.585 3.206 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H](NC[C@H]2CCCC[NH+]2CC(C)C)[C@@H](C)C1 ZINC000540147203 503688873 /nfs/dbraw/zinc/68/88/73/503688873.db2.gz QNDKPEBAKCIPDC-HBMCJLEFSA-N 2 0 353.595 3.224 20 0 FGADRP CC[N@H+](CCC1CC[NH+](Cc2ccc(C(=O)N(C)C)[nH]2)CC1)CC(C)C ZINC000517263752 503698218 /nfs/dbraw/zinc/69/82/18/503698218.db2.gz XDOHHPKFDBGDDF-UHFFFAOYSA-N 2 0 362.562 3.297 20 0 FGADRP CC(C)[C@H]1CN(C(=O)C2CC[NH+](C(C)C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000529801051 503704137 /nfs/dbraw/zinc/70/41/37/503704137.db2.gz MAMQTNAJSXJIHP-JOCHJYFZSA-N 2 0 371.569 3.476 20 0 FGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCc2nnc(-c3ccccc3)o2)[C@H](C)C1 ZINC000536837370 503737547 /nfs/dbraw/zinc/73/75/47/503737547.db2.gz GASFTHGYJLSRTR-IEBWSBKVSA-N 2 0 372.513 3.006 20 0 FGADRP C[C@@H]1C[NH+](CCOc2ccc(CC[NH2+]Cc3ccc(CO)o3)cc2)C[C@H]1C ZINC000537024415 503780082 /nfs/dbraw/zinc/78/00/82/503780082.db2.gz KPXUGSMNHTVXSH-QZTJIDSGSA-N 2 0 372.509 3.071 20 0 FGADRP CC[C@H]1CCC[N@@H+]1CC(=O)NC[C@@H](c1ccc(OC)cc1)[NH+]1CCCCC1 ZINC000533287209 503791803 /nfs/dbraw/zinc/79/18/03/503791803.db2.gz WVPKABYWGXWRTP-FPOVZHCZSA-N 2 0 373.541 3.213 20 0 FGADRP C[C@H]([NH2+]CCC[NH+]1CCCC1)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000537085518 503796856 /nfs/dbraw/zinc/79/68/56/503796856.db2.gz FDRCCLJCVZFTKU-KRWDZBQOSA-N 2 0 352.482 3.470 20 0 FGADRP Cc1ccccc1[C@H]([C@H](C)NC(=O)CCN(C)c1cc[nH+]cc1)[NH+](C)C ZINC000527492140 503809788 /nfs/dbraw/zinc/80/97/88/503809788.db2.gz JXVYZCYXNFHMBP-UWJYYQICSA-N 2 0 354.498 3.024 20 0 FGADRP C[NH+](C)[C@H](CNC(=O)NCCCCC[NH+]1CCCCC1)c1ccsc1 ZINC000517703649 503812142 /nfs/dbraw/zinc/81/21/42/503812142.db2.gz VOUIQZTWEHQZGR-GOSISDBHSA-N 2 0 366.575 3.306 20 0 FGADRP CCO[C@@H]1C[C@H]([NH2+]C2CC[NH+]([C@H]3CCC[C@H]3O)CC2)C12CCCCC2 ZINC000540607035 503832903 /nfs/dbraw/zinc/83/29/03/503832903.db2.gz KSXBTZFDIAZWML-ZGXWSNOMSA-N 2 0 350.547 3.082 20 0 FGADRP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000543655717 503841747 /nfs/dbraw/zinc/84/17/47/503841747.db2.gz GJCKCAFYIAKHBF-QGZVFWFLSA-N 2 0 352.567 3.013 20 0 FGADRP C[C@@H](NC(=O)CN(C)C[C@@H]1CCC[N@H+](C)C1)c1ccc(Cl)cc1Cl ZINC000533431530 503842309 /nfs/dbraw/zinc/84/23/09/503842309.db2.gz OTNWQZPBVWXQST-ZIAGYGMSSA-N 2 0 372.340 3.444 20 0 FGADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1cnc(C2CCCCC2)s1 ZINC000546726031 503853882 /nfs/dbraw/zinc/85/38/82/503853882.db2.gz WXWCGLIXHWOHEL-INIZCTEOSA-N 2 0 350.576 3.306 20 0 FGADRP CN(CCC[NH+]1CCCC1)C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000540702166 503861156 /nfs/dbraw/zinc/86/11/56/503861156.db2.gz SBVFCSVSZOOPEM-QGZVFWFLSA-N 2 0 364.559 3.012 20 0 FGADRP CC1(C)[C@H]([NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)[C@@H]2CCCO[C@H]21 ZINC000537294104 503871015 /nfs/dbraw/zinc/87/10/15/503871015.db2.gz UIOZRTHQOGCBHI-PWRODBHTSA-N 2 0 358.526 3.454 20 0 FGADRP COc1cccc([C@H](C[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)OC)c1 ZINC000530213112 503879556 /nfs/dbraw/zinc/87/95/56/503879556.db2.gz VCMQRKMQZIRMKB-BVSLBCMMSA-N 2 0 368.477 3.228 20 0 FGADRP O=C(C[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1)Nc1ccc(Cl)c(F)c1 ZINC000530221537 503881587 /nfs/dbraw/zinc/88/15/87/503881587.db2.gz GEDXJXKGXMHENA-CQSZACIVSA-N 2 0 353.869 3.129 20 0 FGADRP OCCN1CC[NH+](CCCC[NH2+][C@H]2CCC[C@H](c3ccccc3)CC2)CC1 ZINC000527659958 503881817 /nfs/dbraw/zinc/88/18/17/503881817.db2.gz NKVRPRSAKUROOD-GOTSBHOMSA-N 2 0 373.585 3.083 20 0 FGADRP COc1cc(C[NH2+]CC2(O)CC[NH+](C(C)C)CC2)cc(C(F)(F)F)c1 ZINC000527673458 503888698 /nfs/dbraw/zinc/88/86/98/503888698.db2.gz DBIZVXUMDUUZQB-UHFFFAOYSA-N 2 0 360.420 3.039 20 0 FGADRP c1nc(-c2ccccc2)sc1C[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530241736 503890313 /nfs/dbraw/zinc/89/03/13/503890313.db2.gz QGIOTNOBHLVDII-SFHVURJKSA-N 2 0 357.523 3.401 20 0 FGADRP Cc1ccc(-c2cnc(C[NH+]3CCC(CO[C@H]4CC[NH2+]C4)CC3)o2)cc1 ZINC000530241809 503891257 /nfs/dbraw/zinc/89/12/57/503891257.db2.gz RPNSNEBPVXPJGK-IBGZPJMESA-N 2 0 355.482 3.241 20 0 FGADRP CCCOc1ccc(C[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)cc1OC ZINC000530248982 503894639 /nfs/dbraw/zinc/89/46/39/503894639.db2.gz RRRQIWFIPXMNCH-IBGZPJMESA-N 2 0 362.514 3.075 20 0 FGADRP FC(F)(F)[C@@H](CNC1CC[NH+](CCc2ccccc2)CC1)n1cccn1 ZINC000527739556 503921974 /nfs/dbraw/zinc/92/19/74/503921974.db2.gz VXKSHSCEZNHXHU-GOSISDBHSA-N 2 0 366.431 3.283 20 0 FGADRP CC[NH+]1CCN(CCC[NH2+]Cc2cc(-c3ccccc3)ccc2OC)CC1 ZINC000537510738 503938659 /nfs/dbraw/zinc/93/86/59/503938659.db2.gz WUJLXYUMWASJHR-UHFFFAOYSA-N 2 0 367.537 3.479 20 0 FGADRP C[C@H]1CCC[C@@](CNC(=O)N2CCC([NH+]3CCCCC3)CC2)([NH+](C)C)C1 ZINC000518367678 503964827 /nfs/dbraw/zinc/96/48/27/503964827.db2.gz WYLDQQDLNUEVAJ-GHTZIAJQSA-N 2 0 364.578 3.157 20 0 FGADRP C[C@@H](CNC(=O)NCC[N@H+]1[C@H](C)CCC[C@@H]1C)[NH+](C)Cc1ccccc1 ZINC000518438961 503984909 /nfs/dbraw/zinc/98/49/09/503984909.db2.gz SCBXNVRNLBNFKU-OTWHNJEPSA-N 2 0 360.546 3.069 20 0 FGADRP CCC[NH+]1CCN(c2ccccc2CN2CC[C@H](C[NH+](CC)CC)C2)CC1 ZINC000537647420 503990671 /nfs/dbraw/zinc/99/06/71/503990671.db2.gz LAWBKTUKQZZPBU-OAQYLSRUSA-N 2 0 372.601 3.382 20 0 FGADRP CC[C@@H]1C[C@@H](C)CC[C@H]1[NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000537646714 503990841 /nfs/dbraw/zinc/99/08/41/503990841.db2.gz IDRNPWIRDHEKFX-QXAKKESOSA-N 2 0 351.579 3.418 20 0 FGADRP CCSCC[NH2+]Cc1cc(C(F)(F)F)ccc1N1CC[NH+](C)CC1 ZINC000544097711 504006005 /nfs/dbraw/zinc/00/60/05/504006005.db2.gz PEITYZSQOFLUMJ-UHFFFAOYSA-N 2 0 361.477 3.300 20 0 FGADRP C[C@H](c1ccc(Cl)cc1)N(C)C(=O)CN1CCC2(CCC[N@@H+]2C)CC1 ZINC000544136029 504022049 /nfs/dbraw/zinc/02/20/49/504022049.db2.gz OKQVMRZZFLKCIR-MRXNPFEDSA-N 2 0 363.933 3.420 20 0 FGADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)N(C)CCC[NH+]1CCCC1)c1ccccc1 ZINC000541154192 504024499 /nfs/dbraw/zinc/02/44/99/504024499.db2.gz GHDAQAIZAFPNDU-GOSISDBHSA-N 2 0 360.546 3.243 20 0 FGADRP CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+]C[C@H]2CCN2C2CCCC2)cc1 ZINC000528011616 504039366 /nfs/dbraw/zinc/03/93/66/504039366.db2.gz MLKPQDAAWNUXBZ-DNVCBOLYSA-N 2 0 365.543 3.116 20 0 FGADRP O=C(NCc1cccc(C[NH+]2CCCC2)c1)Nc1ccc2c(c1)C[NH2+]C2 ZINC000518936796 504098641 /nfs/dbraw/zinc/09/86/41/504098641.db2.gz BFFLVUOHHKKDST-UHFFFAOYSA-N 2 0 350.466 3.207 20 0 FGADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H](O)COc2ccccc2C(F)(F)F)C[C@@H]1C ZINC000541351286 504101847 /nfs/dbraw/zinc/10/18/47/504101847.db2.gz XWQITUZRBBFNBU-JYJNAYRXSA-N 2 0 374.447 3.250 20 0 FGADRP C[NH+](C)Cc1cccc(C[NH2+]C[C@@H](O)CO[C@@H]2CCCc3ccccc32)c1 ZINC000518963507 504103853 /nfs/dbraw/zinc/10/38/53/504103853.db2.gz AQBOOJGMZNMJCW-FYYLOGMGSA-N 2 0 368.521 3.293 20 0 FGADRP C[NH+](C)CCOc1ccc(C[NH2+][C@@H]2CCC(=O)Nc3ccccc32)cc1 ZINC000544362398 504104162 /nfs/dbraw/zinc/10/41/62/504104162.db2.gz GWCBQALPHVOEOH-LJQANCHMSA-N 2 0 353.466 3.190 20 0 FGADRP COc1cc(C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)cc(OC)c1OC ZINC000534346977 504118188 /nfs/dbraw/zinc/11/81/88/504118188.db2.gz KQEVNIOPQTZQDY-UHFFFAOYSA-N 2 0 350.503 3.265 20 0 FGADRP CCO[C@@H]1C[C@H]([NH2+][C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)[C@@]12CCCO2 ZINC000547507889 504130523 /nfs/dbraw/zinc/13/05/23/504130523.db2.gz DJWPEVCTUVGVFM-VOFPXKNKSA-N 2 0 358.526 3.213 20 0 FGADRP CCO[C@@H]1C[C@H]([NH2+][C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)[C@@]12CCCO2 ZINC000547507887 504130758 /nfs/dbraw/zinc/13/07/58/504130758.db2.gz DJWPEVCTUVGVFM-KHSAKVFQSA-N 2 0 358.526 3.213 20 0 FGADRP CC[N@H+](Cc1ccc(C(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)cc1)C1CC1 ZINC000534409053 504134059 /nfs/dbraw/zinc/13/40/59/504134059.db2.gz LBYUHHQSUXSPOS-NRFANRHFSA-N 2 0 369.553 3.475 20 0 FGADRP Cc1ccc([C@@H](CNC(=O)NCC[N@@H+](C)C2CCCC2)[NH+]2CCCC2)cc1 ZINC000519209684 504164603 /nfs/dbraw/zinc/16/46/03/504164603.db2.gz YDUOQHARCRKYSV-OAQYLSRUSA-N 2 0 372.557 3.306 20 0 FGADRP CC[NH+](CC)CC1CC[NH+]([C@H](C)C(=O)N(C)Cc2cccc(F)c2)CC1 ZINC000519225145 504169451 /nfs/dbraw/zinc/16/94/51/504169451.db2.gz WDDUVMSEKFSQDU-QGZVFWFLSA-N 2 0 363.521 3.226 20 0 FGADRP CN(C)CC[NH+]1CCC(C[NH2+][C@@H](c2ccc(F)cc2)c2ccccn2)CC1 ZINC000541545742 504171504 /nfs/dbraw/zinc/17/15/04/504171504.db2.gz PDAXCWHQAFXALL-QFIPXVFZSA-N 2 0 370.516 3.173 20 0 FGADRP CCC(C)(C)[NH2+][C@H](C)C(=O)NC[C@@H](c1ccc(OC)cc1)[NH+]1CCCC1 ZINC000541582428 504185805 /nfs/dbraw/zinc/18/58/05/504185805.db2.gz XCAATJQIOXLBCC-APWZRJJASA-N 2 0 361.530 3.115 20 0 FGADRP CC(C)(C)[C@H]1CC[N@H+](CCCC[NH+]2CC[C@@H](C(C)(C)C)[C@H](O)C2)C[C@H]1O ZINC000541618156 504202345 /nfs/dbraw/zinc/20/23/45/504202345.db2.gz LBLAHZOBHIZDRE-IYWMVGAKSA-N 2 0 368.606 3.224 20 0 FGADRP COC(=O)c1cc2c(o1)c(OC)ccc2C[NH2+]C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000531142569 504204206 /nfs/dbraw/zinc/20/42/06/504204206.db2.gz PQYQNOOSNCBQPT-OAHLLOKOSA-N 2 0 374.481 3.438 20 0 FGADRP CC[C@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1cc(F)cc(Br)c1 ZINC000538394333 504232792 /nfs/dbraw/zinc/23/27/92/504232792.db2.gz WIALFQYIAZXVCG-HNNXBMFYSA-N 2 0 359.283 3.086 20 0 FGADRP C[C@@H]1C[C@@H]1c1ccc(C[NH2+]CCCN2CCN(c3cc[nH+]cc3)CC2)o1 ZINC000538398460 504235476 /nfs/dbraw/zinc/23/54/76/504235476.db2.gz NDJKGIYZRJIBGS-XLIONFOSSA-N 2 0 354.498 3.100 20 0 FGADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)[C@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000531357241 504277067 /nfs/dbraw/zinc/27/70/67/504277067.db2.gz GVDAHCTYHVGBQM-GJZGRUSLSA-N 2 0 372.340 3.049 20 0 FGADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H](O)CO[C@H]2CCCc3ccccc32)C[C@H]1C ZINC000531381926 504287202 /nfs/dbraw/zinc/28/72/02/504287202.db2.gz FPNFHVJDHDKZKQ-XBZUYWNMSA-N 2 0 360.542 3.246 20 0 FGADRP C[C@H]([NH2+][C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C)c1ccccc1Cl ZINC000538586832 504294289 /nfs/dbraw/zinc/29/42/89/504294289.db2.gz GRNJUMYYLHPLBV-JXFKEZNVSA-N 2 0 373.928 3.280 20 0 FGADRP Cc1cccc([C@H](C)[NH2+][C@@H](Cc2ccccc2)C(=O)NCC[NH+](C)C)c1C ZINC000538586737 504294579 /nfs/dbraw/zinc/29/45/79/504294579.db2.gz AGWXGAVUKWQOAV-UGKGYDQZSA-N 2 0 367.537 3.243 20 0 FGADRP CC(C)[N@@H+]1CC[C@H](CNC(=O)N2CCC[NH+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000531485309 504325213 /nfs/dbraw/zinc/32/52/13/504325213.db2.gz TYWIWWYJAQUWGL-PZJWPPBQSA-N 2 0 372.557 3.023 20 0 FGADRP CC[NH+](CC)CCCC1CC[NH+](CC(=O)NCc2cccc(C)c2)CC1 ZINC000542012771 504334797 /nfs/dbraw/zinc/33/47/97/504334797.db2.gz LAROLLQCGSOAEM-UHFFFAOYSA-N 2 0 359.558 3.445 20 0 FGADRP C[C@H]([NH2+]CC1(C(=O)N(C)C)CCCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000548156426 504350624 /nfs/dbraw/zinc/35/06/24/504350624.db2.gz ILUGMSKRNYBQJD-ICSRJNTNSA-N 2 0 357.542 3.135 20 0 FGADRP CN(c1ccccc1C[N@@H+]1CCC[C@H]2COCC[C@@H]21)C1CC[NH+](C)CC1 ZINC000538792584 504372895 /nfs/dbraw/zinc/37/28/95/504372895.db2.gz ZPKOXRAMXWCHNQ-UGKGYDQZSA-N 2 0 357.542 3.218 20 0 FGADRP C[C@H](CC(=O)N(C)C)[NH2+]CCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000531714823 504401693 /nfs/dbraw/zinc/40/16/93/504401693.db2.gz QWDCVSBPOPBPAH-LJQANCHMSA-N 2 0 359.558 3.178 20 0 FGADRP C[NH+]1CCN(C[C@H]([NH2+][C@@H]2CCC[C@@H]([C@@H]3CCOC3)C2)c2ccccc2)CC1 ZINC000545274752 504426265 /nfs/dbraw/zinc/42/62/65/504426265.db2.gz MFDRWLMVRWKOTC-ODAXIHTASA-N 2 0 371.569 3.160 20 0 FGADRP CC[N@H+](CCC1CC[NH+](Cc2cc(=O)n3ccsc3n2)CC1)CC1CC1 ZINC000538950019 504427272 /nfs/dbraw/zinc/42/72/72/504427272.db2.gz MDZGMSSVXZSXHK-UHFFFAOYSA-N 2 0 374.554 3.090 20 0 FGADRP C[C@@H]1C[C@H](NC(=O)N2CCC[NH+](C(C)(C)C)CC2)C[N@@H+]1Cc1ccccc1 ZINC000531804755 504430336 /nfs/dbraw/zinc/43/03/36/504430336.db2.gz SKEPVQTWRMATBC-QUCCMNQESA-N 2 0 372.557 3.165 20 0 FGADRP C[NH+](C)CC[C@H](NC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1)C(C)(C)C ZINC000535426965 504433219 /nfs/dbraw/zinc/43/32/19/504433219.db2.gz HMRLSSATMACOPL-FHWLQOOXSA-N 2 0 360.546 3.097 20 0 FGADRP COc1ccc2c(c1)[C@@H]([NH2+][C@H](CN1CC[NH+](C)CC1)c1ccccc1)CC2 ZINC000531965837 504489286 /nfs/dbraw/zinc/48/92/86/504489286.db2.gz HOIQPEYBOVGOHG-XZOQPEGZSA-N 2 0 365.521 3.261 20 0 FGADRP CC[N@H+](CCC1CCN(C(=O)N[C@H](C)CC[NH+](C)C)CC1)CC(C)C ZINC000539176179 504492448 /nfs/dbraw/zinc/49/24/48/504492448.db2.gz MZAPFBPBGYGBBQ-GOSISDBHSA-N 2 0 354.583 3.116 20 0 FGADRP CC[NH+](CC)CC1CCN(C(=O)NCC[C@H](C)[NH+]2CCCCC2)CC1 ZINC000542450807 504494094 /nfs/dbraw/zinc/49/40/94/504494094.db2.gz KEPVVLYDUGHRMY-SFHVURJKSA-N 2 0 352.567 3.014 20 0 FGADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H](c2cccnc2)c2ccc(F)c(C)c2)CC1 ZINC000542480090 504507468 /nfs/dbraw/zinc/50/74/68/504507468.db2.gz WPYRILMIMMFJLQ-XMSQKQJNSA-N 2 0 370.516 3.234 20 0 FGADRP CC[C@@H]([NH2+]C1CC[NH+](CC2CC2)CC1)[C@@H](c1ccc(C)cc1)n1cncn1 ZINC000539298259 504523035 /nfs/dbraw/zinc/52/30/35/504523035.db2.gz YZGPGHHWDCRFFU-FGZHOGPDSA-N 2 0 367.541 3.419 20 0 FGADRP COc1ccc(CN2CC[C@H]2CNC(=O)Nc2c(C)ccnc2C)cc1 ZINC000529095635 504534112 /nfs/dbraw/zinc/53/41/12/504534112.db2.gz VUBPGMYURWCJHG-KRWDZBQOSA-N 2 0 354.454 3.103 20 0 FGADRP C[N@H+](CCC(=O)Nc1ccccc1C[NH+]1CCC(O)CC1)C1CCCCC1 ZINC000548721187 504540791 /nfs/dbraw/zinc/54/07/91/504540791.db2.gz XUOILJHXAYRPDW-UHFFFAOYSA-N 2 0 373.541 3.236 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)C12CCC[NH+]1CCC2)c1ccccc1Cl ZINC000548740657 504548057 /nfs/dbraw/zinc/54/80/57/504548057.db2.gz DYKCKIZQXYMYRC-GOSISDBHSA-N 2 0 363.933 3.468 20 0 FGADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2cn(C)nc2-c2cccs2)C1 ZINC000539408031 504562093 /nfs/dbraw/zinc/56/20/93/504562093.db2.gz RPFQJSPGMZMWBI-QGZVFWFLSA-N 2 0 362.543 3.081 20 0 FGADRP C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000532191753 504568550 /nfs/dbraw/zinc/56/85/50/504568550.db2.gz QDIYQXNIIKZQRX-MNEFBYGVSA-N 2 0 363.933 3.293 20 0 FGADRP C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000520760501 504575897 /nfs/dbraw/zinc/57/58/97/504575897.db2.gz AZWJXTGTRBMHCG-OALUTQOASA-N 2 0 357.542 3.278 20 0 FGADRP Cc1ccc([C@@H](CNC(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)[NH+](C)C)cc1 ZINC000520854018 504597726 /nfs/dbraw/zinc/59/77/26/504597726.db2.gz TYDJUYDFHPIALB-FGZHOGPDSA-N 2 0 365.521 3.379 20 0 FGADRP COC(=O)c1occc1C[NH2+]CC[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000539528798 504599429 /nfs/dbraw/zinc/59/94/29/504599429.db2.gz RHGUQWBLNGANOE-AEFFLSMTSA-N 2 0 356.466 3.457 20 0 FGADRP CC[N@H+](CCC1CCN(C(=O)N[C@H]2CC[NH2+]C23CCC3)CC1)CC(C)C ZINC000529358443 504644385 /nfs/dbraw/zinc/64/43/85/504644385.db2.gz SRNWBRYCPHKVBN-IBGZPJMESA-N 2 0 364.578 3.061 20 0 FGADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2ccc(O)c3nc(C)ccc23)C1 ZINC000549136946 504698570 /nfs/dbraw/zinc/69/85/70/504698570.db2.gz ACMUNULPXJWLLA-SFHVURJKSA-N 2 0 357.498 3.182 20 0 FGADRP CCc1oc2ccccc2c1C[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000539825206 504706402 /nfs/dbraw/zinc/70/64/02/504706402.db2.gz NTPRGUSKPRLQCB-FXAWDEMLSA-N 2 0 355.526 3.453 20 0 FGADRP CC[NH+]1CCN(Cc2ccccc2C[NH2+][C@@H](C)C2CC(F)(F)C2)CC1 ZINC000529535592 504720028 /nfs/dbraw/zinc/72/00/28/504720028.db2.gz YNESJEQGSIREPI-INIZCTEOSA-N 2 0 351.485 3.348 20 0 FGADRP CC(C)CC[C@H]([NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1)C1CC1 ZINC000549229358 504731946 /nfs/dbraw/zinc/73/19/46/504731946.db2.gz ZGKKMRIQEKIEGG-IBGZPJMESA-N 2 0 351.579 3.418 20 0 FGADRP C[C@H]([NH2+]C[C@@]1(O)CCN(Cc2ccccc2)C1)[C@@H]1C[C@H]1c1ccccc1 ZINC000549236042 504733715 /nfs/dbraw/zinc/73/37/15/504733715.db2.gz VFRHGIXKXWNWPT-QGQQZZQASA-N 2 0 350.506 3.405 20 0 FGADRP Cc1cc(NC[C@@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)cc[nH+]1 ZINC000549244986 504736514 /nfs/dbraw/zinc/73/65/14/504736514.db2.gz MDJUUYWSTPGVGA-HXUWFJFHSA-N 2 0 351.494 3.153 20 0 FGADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H]1CCc2cccc(Br)c2C1 ZINC000521470434 504743215 /nfs/dbraw/zinc/74/32/15/504743215.db2.gz QRUVCJVBZLRTAJ-HOTGVXAUSA-N 2 0 369.347 3.253 20 0 FGADRP COC(=O)c1cc(C[NH2+]CC[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)cn1C ZINC000521511952 504750243 /nfs/dbraw/zinc/75/02/43/504750243.db2.gz HFKUTABJUVVADF-PKOBYXMFSA-N 2 0 369.509 3.202 20 0 FGADRP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH2+]C[C@H]1CCC2(CCOCC2)[C@H]1O ZINC000549261199 504776323 /nfs/dbraw/zinc/77/63/23/504776323.db2.gz JTEOQUNDJLJHJD-RTWAWAEBSA-N 2 0 374.569 3.302 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000559269085 504814540 /nfs/dbraw/zinc/81/45/40/504814540.db2.gz VVFRHPKLMUEFPD-QGZVFWFLSA-N 2 0 361.555 3.438 20 0 FGADRP C[C@@H]1CC[C@H]([NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)[C@H](n2cncn2)C1 ZINC000556243330 504827015 /nfs/dbraw/zinc/82/70/15/504827015.db2.gz BOZMGUBCYKWUEV-AYWYSENESA-N 2 0 353.514 3.120 20 0 FGADRP [NH3+][C@H]1CCC[C@H]([NH2+]C2CCN(Cc3ccc(Br)cc3)CC2)C1 ZINC000565225822 504830497 /nfs/dbraw/zinc/83/04/97/504830497.db2.gz GNRLOZSPAKLFKP-WMZOPIPTSA-N 2 0 366.347 3.273 20 0 FGADRP CC[C@@H](C(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2C(C)C)[N@H+](C)Cc1ccccc1 ZINC000549762655 504890647 /nfs/dbraw/zinc/89/06/47/504890647.db2.gz CFYRIOMFELFONJ-HKBOAZHASA-N 2 0 357.542 3.371 20 0 FGADRP CC[NH+](CC)Cc1ccc(CNC(=O)N2C[C@H]([NH+]3CCCC3)C[C@H]2C)cc1 ZINC000553377255 504898387 /nfs/dbraw/zinc/89/83/87/504898387.db2.gz ZRQOXLFZRNHEIC-WIYYLYMNSA-N 2 0 372.557 3.297 20 0 FGADRP CC(C)[N@@H+]1CCCC[C@@H]1CN(C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000559794578 504929078 /nfs/dbraw/zinc/92/90/78/504929078.db2.gz ZBHHDVHFMMMWGZ-JOCHJYFZSA-N 2 0 358.574 3.283 20 0 FGADRP Cc1nn(-c2ccccc2)c(C)c1C[NH+]1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000562751899 504932859 /nfs/dbraw/zinc/93/28/59/504932859.db2.gz UFUMNXHGWAFGGZ-UGKGYDQZSA-N 2 0 368.525 3.207 20 0 FGADRP Cc1cccc(-c2n[nH]cc2C[NH+]2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)c1 ZINC000562751392 504932870 /nfs/dbraw/zinc/93/28/70/504932870.db2.gz QTTOMGDFEZTUGJ-CTNGQTDRSA-N 2 0 354.498 3.103 20 0 FGADRP Cc1cc(-c2noc([C@@H](C)[NH+]3CCC([C@@H]4OCC[C@H]4[NH3+])CC3)n2)ccc1F ZINC000565657853 504951475 /nfs/dbraw/zinc/95/14/75/504951475.db2.gz DGKDOJAZFNNSIT-XWIAVFTESA-N 2 0 374.460 3.073 20 0 FGADRP CC[C@H](C(=O)N(CC[NH+](C)C)Cc1ccco1)[N@H+](C)Cc1ccccc1 ZINC000550130622 504974161 /nfs/dbraw/zinc/97/41/61/504974161.db2.gz CCHMMVNVJNIOEE-HXUWFJFHSA-N 2 0 357.498 3.080 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N1C[C@H]([NH+]2CCCC2)C[C@@H]1C)c1ccccc1 ZINC000553708629 504988516 /nfs/dbraw/zinc/98/85/16/504988516.db2.gz XLDFRHPHDBLCFJ-CEWLAPEOSA-N 2 0 372.557 3.338 20 0 FGADRP Brc1ccc2ncc(C[NH2+]CCCCC[NH+]3CCCC3)n2c1 ZINC000550266028 505007647 /nfs/dbraw/zinc/00/76/47/505007647.db2.gz LXPZYHKEUXCEHP-UHFFFAOYSA-N 2 0 365.319 3.453 20 0 FGADRP CC[NH+](CC)[C@H](C(=O)N[C@@H](C)C[NH+](C)C)c1cccc(C(F)(F)F)c1 ZINC000553790683 505012005 /nfs/dbraw/zinc/01/20/05/505012005.db2.gz CYSTYVYTOHRJOP-BBRMVZONSA-N 2 0 359.436 3.155 20 0 FGADRP CC1(C)CC([NH2+]C[C@H](O)CO[C@H]2CCCc3ccccc32)CC(C)(C)[NH2+]1 ZINC000550328038 505024166 /nfs/dbraw/zinc/02/41/66/505024166.db2.gz KJPYHWJPVWYAKB-ICSRJNTNSA-N 2 0 360.542 3.340 20 0 FGADRP C[NH+](C)CCOc1ccc(NC(=O)C[C@@H]2CCCC[C@@H]2[NH3+])cc1Cl ZINC000563082601 505041744 /nfs/dbraw/zinc/04/17/44/505041744.db2.gz HBHNEYMCBZMHCA-BBRMVZONSA-N 2 0 353.894 3.127 20 0 FGADRP C[C@H](CC(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1ccc(C(F)(F)F)cc1 ZINC000560340251 505050811 /nfs/dbraw/zinc/05/08/11/505050811.db2.gz FKFBWKQYOIYVPH-OAHLLOKOSA-N 2 0 373.463 3.151 20 0 FGADRP FC(F)(F)CN1CC[C@@H]([NH2+][C@H]2CCN(Cc3ccccc3)C3(CC3)C2)C1 ZINC000563120113 505052773 /nfs/dbraw/zinc/05/27/73/505052773.db2.gz RVGBHRWABMLBSN-ZWKOTPCHSA-N 2 0 367.459 3.410 20 0 FGADRP O[C@H](C[NH2+]C1CC[NH+](C2CCCC2)CC1)COc1ccccc1Cl ZINC000566063325 505068953 /nfs/dbraw/zinc/06/89/53/505068953.db2.gz OMXQMGSGRJTWED-QGZVFWFLSA-N 2 0 352.906 3.076 20 0 FGADRP CC1CC[NH+](Cc2ccccc2CNC(=O)N2CC[C@H](C)[C@H](C[NH3+])C2)CC1 ZINC000557205117 505092862 /nfs/dbraw/zinc/09/28/62/505092862.db2.gz PEHGGYPJQIFCHV-GHTZIAJQSA-N 2 0 372.557 3.045 20 0 FGADRP Cc1ccc(-c2cc(C[NH+]3CCC([C@H]4OCCC[C@H]4[NH3+])CC3)on2)cc1 ZINC000557338854 505111361 /nfs/dbraw/zinc/11/13/61/505111361.db2.gz GBXFSFYQBPJCEW-TZIWHRDSSA-N 2 0 355.482 3.368 20 0 FGADRP COCC[N@H+](C)CC[C@H](N[C@@H]1CC[NH+](C)[C@@H]2CCC[C@@H]21)c1ccccc1 ZINC000560528237 505115622 /nfs/dbraw/zinc/11/56/22/505115622.db2.gz OGWGOBDBGJONRX-CIAFKFPVSA-N 2 0 359.558 3.158 20 0 FGADRP CC[NH+](CC)CCOC1CC[NH+](C[C@@H](O)Cc2cccc(Cl)c2)CC1 ZINC000554239011 505123381 /nfs/dbraw/zinc/12/33/81/505123381.db2.gz ZGXGNZFQOUALJL-IBGZPJMESA-N 2 0 368.949 3.066 20 0 FGADRP CC[C@H](C)[NH2+][C@@H](CNC(=O)NCCC[N@@H+]1CCCC[C@H]1C)c1ccco1 ZINC000554252188 505125370 /nfs/dbraw/zinc/12/53/70/505125370.db2.gz GXNGDLMZCCGBQT-KSZLIROESA-N 2 0 364.534 3.273 20 0 FGADRP O=C(Nc1ccc(CC[NH+]2CCCCC2)cc1)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000563452731 505144518 /nfs/dbraw/zinc/14/45/18/505144518.db2.gz CGGLZMDMPCWXAH-QKNQBKEWSA-N 2 0 370.541 3.225 20 0 FGADRP c1cc2c(c([C@H]3CCC[N@H+]3Cc3ccc4c(c3)C[NH2+]CC4)c1)OCCO2 ZINC000566351796 505150243 /nfs/dbraw/zinc/15/02/43/505150243.db2.gz DKRXFKKOYAAFAG-HXUWFJFHSA-N 2 0 350.462 3.441 20 0 FGADRP C[C@H]1C[C@@H](NC(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)CC[NH2+]1 ZINC000563561027 505176451 /nfs/dbraw/zinc/17/64/51/505176451.db2.gz JTJKRIUTKCOELX-PXNSSMCTSA-N 2 0 358.530 3.002 20 0 FGADRP C[C@H](NC(=O)NC[C@H](c1ccccc1)[NH+](C)C)[C@@H](c1ccccc1)[NH+](C)C ZINC000554449842 505176429 /nfs/dbraw/zinc/17/64/29/505176429.db2.gz PVBUOHLBPOEHJW-WMQCIHAUSA-N 2 0 368.525 3.280 20 0 FGADRP CC[C@@H](C(=O)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1)[NH+](CC)CC ZINC000557641497 505190739 /nfs/dbraw/zinc/19/07/39/505190739.db2.gz TYUZBFXQRLALAN-RBBKRZOGSA-N 2 0 357.542 3.231 20 0 FGADRP C[C@@H]1C[C@@H](NC(=O)NCc2ccccc2C[N@H+](C)C2CCCCC2)CC[NH2+]1 ZINC000563690896 505213122 /nfs/dbraw/zinc/21/31/22/505213122.db2.gz DQMUFXKAYSJGQZ-XLIONFOSSA-N 2 0 372.557 3.391 20 0 FGADRP C[C@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000560943334 505214514 /nfs/dbraw/zinc/21/45/14/505214514.db2.gz XOMVOZNNBOKUOI-ZIAGYGMSSA-N 2 0 357.420 3.402 20 0 FGADRP C[C@H]([NH2+]Cc1ccncc1OCC[NH+](C)C)c1cccc(OC(F)F)c1 ZINC000563771784 505233816 /nfs/dbraw/zinc/23/38/16/505233816.db2.gz YRVSBICGHNRANG-AWEZNQCLSA-N 2 0 365.424 3.474 20 0 FGADRP CC(C)[C@]1(CO)CCC[NH+]([C@H](C)CC[N@H+]2CCC[C@](CO)(C(C)C)C2)C1 ZINC000561070173 505242485 /nfs/dbraw/zinc/24/24/85/505242485.db2.gz NEPSHCSPLDLBCQ-BHIFYINESA-N 2 0 368.606 3.226 20 0 FGADRP CN(C(=O)[C@H](Cc1ccccc1)[NH2+][C@@H]1CCC[C@@H]([NH3+])C1)c1ccccc1 ZINC000563821609 505248834 /nfs/dbraw/zinc/24/88/34/505248834.db2.gz VKMOMVBXONIEFK-SBHAEUEKSA-N 2 0 351.494 3.120 20 0 FGADRP C[C@H]1C[C@@H]1[N@@H+]1CCN(C(=O)c2cccc(C[NH+]3CCCC3)c2)C[C@@H](C)C1 ZINC000558014078 505285177 /nfs/dbraw/zinc/28/51/77/505285177.db2.gz VBYNSCQHFRCXBW-WFXMLNOXSA-N 2 0 355.526 3.085 20 0 FGADRP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)NCCCC[NH+]1CCC(C)CC1 ZINC000558058196 505297871 /nfs/dbraw/zinc/29/78/71/505297871.db2.gz ZNSULUONXJSZSZ-HXUWFJFHSA-N 2 0 374.573 3.318 20 0 FGADRP C[C@H](C(=O)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1)[NH+]1CCCCCC1 ZINC000561282980 505304673 /nfs/dbraw/zinc/30/46/73/505304673.db2.gz LFDPLERPCYMFDW-OFNKIYASSA-N 2 0 369.553 3.376 20 0 FGADRP O=C(CC[N@H+]1C[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1)Nc1ccccc1 ZINC000554959506 505311552 /nfs/dbraw/zinc/31/15/52/505311552.db2.gz GHEBRYZWPJGGKY-RTWAWAEBSA-N 2 0 363.505 3.469 20 0 FGADRP C[C@H]1C[C@H]([N@H+](C)Cc2cccc(I)c2)CCN1C ZINC000551803021 505312306 /nfs/dbraw/zinc/31/23/06/505312306.db2.gz DEPXWZGIGYNDAC-SWLSCSKDSA-N 2 0 358.267 3.206 20 0 FGADRP C[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCC2(CCCC2)CC1 ZINC000567001026 505334635 /nfs/dbraw/zinc/33/46/35/505334635.db2.gz DFKXZGGIXDLCEO-TZIWHRDSSA-N 2 0 369.553 3.422 20 0 FGADRP C[C@@H](NC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)[C@H](c1ccccc1)[NH+](C)C ZINC000558349314 505365452 /nfs/dbraw/zinc/36/54/52/505365452.db2.gz UQNFXPDPAGMRPB-CRAIPNDOSA-N 2 0 360.546 3.286 20 0 FGADRP CC[C@@H](C)[NH2+][C@@H](CNC(=O)NCc1ccc(C[NH+](C)C)cc1)c1ccco1 ZINC000558376991 505370619 /nfs/dbraw/zinc/37/06/19/505370619.db2.gz HADYWYSWFOILLD-APWZRJJASA-N 2 0 372.513 3.270 20 0 FGADRP C[NH+](C)Cc1cccc(C(=O)NC[C@H](C[NH+](C)C)c2ccc(Cl)cc2)c1 ZINC000552025917 505374005 /nfs/dbraw/zinc/37/40/05/505374005.db2.gz QCDCMRNSYTVJHL-LJQANCHMSA-N 2 0 373.928 3.477 20 0 FGADRP CCc1noc(-c2ccc(CC[NH2+][C@@H]3CC[N@H+](C)[C@H]4CCC[C@@H]43)cc2)n1 ZINC000552034771 505376910 /nfs/dbraw/zinc/37/69/10/505376910.db2.gz WLVWKKBLYYTZPN-QRVBRYPASA-N 2 0 354.498 3.304 20 0 FGADRP Cc1ccnc([C@H](C)[NH2+]CCCN2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000552040325 505378192 /nfs/dbraw/zinc/37/81/92/505378192.db2.gz ZPIIRMVIEWAIKZ-FQEVSTJZSA-N 2 0 352.526 3.249 20 0 FGADRP C[NH+](C)C1CCC([NH2+]CCC(=O)Nc2ccc(Br)cc2)CC1 ZINC000552044550 505380086 /nfs/dbraw/zinc/38/00/86/505380086.db2.gz GGHTYZFKKDFLIY-UHFFFAOYSA-N 2 0 368.319 3.240 20 0 FGADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H](c1cccc(OC(F)(F)F)c1)C1CC1 ZINC000552044645 505380544 /nfs/dbraw/zinc/38/05/44/505380544.db2.gz JCYWULVJTRGUQK-KDOFPFPSSA-N 2 0 371.447 3.262 20 0 FGADRP C[C@@H](Cc1ccccc1)C[NH+]1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000558415876 505382652 /nfs/dbraw/zinc/38/26/52/505382652.db2.gz IKKXBGHMLMNBPO-FQEVSTJZSA-N 2 0 371.569 3.179 20 0 FGADRP C[C@H]([NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc2c(c1)OCC(=O)N2 ZINC000552057270 505384217 /nfs/dbraw/zinc/38/42/17/505384217.db2.gz MJODSTSKHHJPOR-WMZOPIPTSA-N 2 0 365.477 3.190 20 0 FGADRP CNC(=O)C[C@H](C)[NH2+][C@@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000555233285 505386240 /nfs/dbraw/zinc/38/62/40/505386240.db2.gz UFNHQKYIRRECKN-LZACKZIFSA-N 2 0 363.933 3.368 20 0 FGADRP c1cc(C[N@@H+]2CCOC3(CCOCC3)CC2)ccc1C[NH+]1CCCCC1 ZINC000567219437 505398733 /nfs/dbraw/zinc/39/87/33/505398733.db2.gz SHNHEVOBQHTISV-UHFFFAOYSA-N 2 0 358.526 3.444 20 0 FGADRP CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)CC[C@H]2CCCC[N@@H+]2C)c1 ZINC000561654642 505401726 /nfs/dbraw/zinc/40/17/26/505401726.db2.gz AIFQGYZPFHTYIL-LJQANCHMSA-N 2 0 374.529 3.170 20 0 FGADRP Cc1ccc([C@H](CNC(=O)N2CCCC[C@@H]2[C@H](C)[NH3+])[NH+]2CCCC2)cc1 ZINC000564548997 505449608 /nfs/dbraw/zinc/44/96/08/505449608.db2.gz LZBQGTDFXMTWAA-SXLOBPIMSA-N 2 0 358.530 3.043 20 0 FGADRP C[N@H+](Cc1ccccc1)CC(C)(C)NC(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000564548890 505449671 /nfs/dbraw/zinc/44/96/71/505449671.db2.gz XWCMMTIQSZOSOZ-UHFFFAOYSA-N 2 0 352.482 3.322 20 0 FGADRP C[C@@H]1C[C@H](NC(=O)CC[N@H+]2CCCC[C@H]2C)CC[NH+]1Cc1ccccc1 ZINC000555539557 505451143 /nfs/dbraw/zinc/45/11/43/505451143.db2.gz MAAJJHSRJORTFA-SFHLNBCPSA-N 2 0 357.542 3.420 20 0 FGADRP CC(C)c1[nH+]c(CNc2ccc(N3CC[NH+](C)CC3)cn2)c2ccccn21 ZINC000567507740 505483777 /nfs/dbraw/zinc/48/37/77/505483777.db2.gz OATBLYWNPUUJOJ-UHFFFAOYSA-N 2 0 364.497 3.217 20 0 FGADRP CC1(C)CC([NH2+]C[C@@H](O)COc2cccc(C(F)(F)F)c2)CC(C)(C)[NH2+]1 ZINC000552494664 505502560 /nfs/dbraw/zinc/50/25/60/505502560.db2.gz AWUDZNHTBUAXCG-OAHLLOKOSA-N 2 0 374.447 3.344 20 0 FGADRP COC(=O)c1cc(C[NH2+]C[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)c[nH]1 ZINC000562083489 505513532 /nfs/dbraw/zinc/51/35/32/505513532.db2.gz XDYXLJAXIOXCOI-SFHVURJKSA-N 2 0 355.482 3.193 20 0 FGADRP C[NH+](C)CCCN(CCC[NH+](C)C)Cc1cccc(Br)c1 ZINC000552557936 505514136 /nfs/dbraw/zinc/51/41/36/505514136.db2.gz SLMQPGWRPZOBQV-UHFFFAOYSA-N 2 0 356.352 3.155 20 0 FGADRP O=C(c1ccc(C[NH+]2CCCCC2)cc1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000558912988 505528749 /nfs/dbraw/zinc/52/87/49/505528749.db2.gz JTCHONRZHQHCGO-NRFANRHFSA-N 2 0 355.526 3.373 20 0 FGADRP O[C@H](C[NH2+]C1CC[NH+](CC2CC2)CC1)Cc1ccc(C(F)(F)F)cc1 ZINC000564845986 505536825 /nfs/dbraw/zinc/53/68/25/505536825.db2.gz ZIGHGAMXPWFEJM-SFHVURJKSA-N 2 0 356.432 3.073 20 0 FGADRP CCCC[NH+]1CCC([NH2+]C[C@@H](O)COc2cccc(C(F)(F)F)c2)CC1 ZINC000567692605 505538789 /nfs/dbraw/zinc/53/87/89/505538789.db2.gz YEXDUNFPBNMDMX-QGZVFWFLSA-N 2 0 374.447 3.299 20 0 FGADRP CC(C)(C)[NH+]1CCC([NH2+]C[C@H](O)CO[C@@H]2CCCc3ccccc32)CC1 ZINC000567725670 505549802 /nfs/dbraw/zinc/54/98/02/505549802.db2.gz DXJRARZMLWXTPP-PZJWPPBQSA-N 2 0 360.542 3.294 20 0 FGADRP C[C@H](CC(=O)N[C@H]1CCN(C)[C@H]1c1ccc(Cl)cc1)C1CC[NH2+]CC1 ZINC000564935239 505561322 /nfs/dbraw/zinc/56/13/22/505561322.db2.gz SQRHEKGSKYCDOO-WNYOCNMUSA-N 2 0 363.933 3.227 20 0 FGADRP Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)C[C@H]1CCCC[C@@H]1[NH3+] ZINC000567784131 505562709 /nfs/dbraw/zinc/56/27/09/505562709.db2.gz LRYPMIFQMVQJLR-MSOLQXFVSA-N 2 0 361.555 3.390 20 0 FGADRP COc1cc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)c(-c2ccccc2)cc1OC ZINC000567870481 505569427 /nfs/dbraw/zinc/56/94/27/505569427.db2.gz DFDMABOFUSPJGB-HKUYNNGSSA-N 2 0 352.478 3.412 20 0 FGADRP C[C@H](c1cc2ccccc2o1)N(C)C(=O)C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000567889658 505570193 /nfs/dbraw/zinc/57/01/93/505570193.db2.gz HLSBJBNNJDUYOW-VQIMIIECSA-N 2 0 369.509 3.274 20 0 FGADRP CC(C)[C@@H](C(=O)N1CC[C@H]([N@H+](C)Cc2ccccc2)C1)[NH+]1CCCCC1 ZINC000608167796 506450496 /nfs/dbraw/zinc/45/04/96/506450496.db2.gz SZLSCSCIUCCVLW-SFTDATJTSA-N 2 0 357.542 3.230 20 0 FGADRP C[C@H](NC(=O)C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1)c1cccc2ccccc21 ZINC000582905858 506482767 /nfs/dbraw/zinc/48/27/67/506482767.db2.gz UKSIZDPLBXGLNA-YHEJVBIMSA-N 2 0 351.494 3.076 20 0 FGADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)N[C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000612239170 506493710 /nfs/dbraw/zinc/49/37/10/506493710.db2.gz IAJSTXVNFXPJJL-VAMGGRTRSA-N 2 0 366.594 3.260 20 0 FGADRP C[C@@H](CCc1ccc(I)cc1)[NH2+]CC1([NH3+])CCCC1 ZINC000596648965 506510286 /nfs/dbraw/zinc/51/02/86/506510286.db2.gz VACFXYJHLOXAAJ-ZDUSSCGKSA-N 2 0 372.294 3.473 20 0 FGADRP C[C@H]1C[C@@H]([NH3+])CCN1C(=O)c1cccc(C[N@H+](C)Cc2ccccc2)c1 ZINC000582972060 506516296 /nfs/dbraw/zinc/51/62/96/506516296.db2.gz CEQGPLHYQQVOGQ-UWJYYQICSA-N 2 0 351.494 3.270 20 0 FGADRP COc1cccc(-c2n[nH]cc2C[NH2+]CC2(SC)CC[NH+](C)CC2)c1 ZINC000589326040 506518069 /nfs/dbraw/zinc/51/80/69/506518069.db2.gz GBPJZPYWWKTQBU-UHFFFAOYSA-N 2 0 360.527 3.002 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)N1CCC([NH+]2CCCCC2)CC1)CC(C)C ZINC000612337691 506533302 /nfs/dbraw/zinc/53/33/02/506533302.db2.gz WBQMSWCYRYNOSZ-HXUWFJFHSA-N 2 0 366.594 3.403 20 0 FGADRP CC(C)[NH2+][C@H]1CCCN(C(=O)NCC(C)(C)[NH2+][C@H](C)c2ccccc2)C1 ZINC000603610638 506577128 /nfs/dbraw/zinc/57/71/28/506577128.db2.gz XINRGAGTPFCVAE-MJGOQNOKSA-N 2 0 360.546 3.288 20 0 FGADRP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1ccccc1CC[NH3+] ZINC000583211170 506652357 /nfs/dbraw/zinc/65/23/57/506652357.db2.gz SOMFTNGFXDZTBS-FQEVSTJZSA-N 2 0 365.521 3.172 20 0 FGADRP C[C@H](OC[C@@H](O)C[NH2+]CCC1CC[NH+](C)CC1)c1ccc(Cl)cc1 ZINC000583317666 506714374 /nfs/dbraw/zinc/71/43/74/506714374.db2.gz SCODPUYJLMZKLK-KXBFYZLASA-N 2 0 354.922 3.100 20 0 FGADRP CC(C)(C)[N@@H+]1CCCN(C(=O)NC[C@@H]2CCC[NH+]2Cc2ccccc2)CC1 ZINC000604115724 506720118 /nfs/dbraw/zinc/72/01/18/506720118.db2.gz JCWUDLJKIVDPMY-FQEVSTJZSA-N 2 0 372.557 3.167 20 0 FGADRP CC(C)[NH2+][C@@H]1CCCN(C(=O)N[C@@H](C[NH+]2CCCCC2)c2ccccc2)C1 ZINC000604203715 506750579 /nfs/dbraw/zinc/75/05/79/506750579.db2.gz BQWBGQOHJRBOKA-RTWAWAEBSA-N 2 0 372.557 3.386 20 0 FGADRP COC(=O)c1ccc(Cl)c(CNC[C@H]2CCC[N@H+](CC3CC3)C2)c1 ZINC000597255330 506864353 /nfs/dbraw/zinc/86/43/53/506864353.db2.gz HYOFCYJBUZXXNT-OAHLLOKOSA-N 2 0 350.890 3.338 20 0 FGADRP CC(C)[C@H](CNC(=O)N1CC[C@@H]([NH+]2CCCCC2)C1)[NH+]1CCC(C)CC1 ZINC000594089722 506934456 /nfs/dbraw/zinc/93/44/56/506934456.db2.gz SDMNEUKVKZIFBG-UXHICEINSA-N 2 0 364.578 3.013 20 0 FGADRP C[C@H](CNC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)[N@H+](C)Cc1ccccc1 ZINC000604784936 506943032 /nfs/dbraw/zinc/94/30/32/506943032.db2.gz HTRIHBKJLMCYFF-IEBWSBKVSA-N 2 0 362.562 3.173 20 0 FGADRP C[C@H](CNC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)[N@H+](C)Cc1ccccc1 ZINC000604784939 506943114 /nfs/dbraw/zinc/94/31/14/506943114.db2.gz HTRIHBKJLMCYFF-MJGOQNOKSA-N 2 0 362.562 3.173 20 0 FGADRP CC(C)[N@H+](C)CC1CC[NH+]([C@H](C)C(=O)N2CCCc3ccccc32)CC1 ZINC000590786630 506955840 /nfs/dbraw/zinc/95/58/40/506955840.db2.gz JMSUIXBISSFAQM-GOSISDBHSA-N 2 0 357.542 3.407 20 0 FGADRP CCC[N@H+](CC)C[C@H](C)NC(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000583785456 506971582 /nfs/dbraw/zinc/97/15/82/506971582.db2.gz DAAZPJDKKRATGE-KRWDZBQOSA-N 2 0 352.567 3.061 20 0 FGADRP CC1=C[C@@H](C)C[C@H](C[NH+]2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)C1 ZINC000583864291 507017552 /nfs/dbraw/zinc/01/75/52/507017552.db2.gz COUYQSVPTMOJNO-QUCCMNQESA-N 2 0 361.574 3.293 20 0 FGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC000591152297 507134300 /nfs/dbraw/zinc/13/43/00/507134300.db2.gz JOZSUVVZZDNSOQ-RTWAWAEBSA-N 2 0 357.542 3.450 20 0 FGADRP c1nnc([C@H](C[NH2+]C2CC[NH+](C3CCCCC3)CC2)c2ccccc2)[nH]1 ZINC000584093994 507147767 /nfs/dbraw/zinc/14/77/67/507147767.db2.gz MTPDVDIQSPTPRZ-HXUWFJFHSA-N 2 0 353.514 3.323 20 0 FGADRP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccc(-c4ncco4)cc3F)C2)CC1 ZINC000584099403 507152504 /nfs/dbraw/zinc/15/25/04/507152504.db2.gz AIRGHZAXHIEPSX-LJQANCHMSA-N 2 0 372.488 3.081 20 0 FGADRP O=C(Nc1cccc2c1CC[NH2+]C2)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000584161086 507187684 /nfs/dbraw/zinc/18/76/84/507187684.db2.gz UZBWISOXEATHFK-LJQANCHMSA-N 2 0 364.493 3.118 20 0 FGADRP C[C@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)NC[C@H]1CCC[NH+](C)C1 ZINC000594870343 507301365 /nfs/dbraw/zinc/30/13/65/507301365.db2.gz ZBZYTGILJNADFI-RBUKOAKNSA-N 2 0 373.541 3.011 20 0 FGADRP COc1ccc(C)cc1NC(=O)[C@@H](c1ccccc1)N1CCC[C@@H](C[NH3+])C1 ZINC000584409842 507330708 /nfs/dbraw/zinc/33/07/08/507330708.db2.gz BGHHWVSVSCJGRN-LAUBAEHRSA-N 2 0 367.493 3.354 20 0 FGADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000601346389 507341308 /nfs/dbraw/zinc/34/13/08/507341308.db2.gz DUHAZQNJPOGUPX-FQEVSTJZSA-N 2 0 364.578 3.158 20 0 FGADRP COC(=O)c1csc([C@H](C)[NH2+]CC2CC[NH+](C3CCOCC3)CC2)c1 ZINC000595047148 507368381 /nfs/dbraw/zinc/36/83/81/507368381.db2.gz AOSJIXIQDHZAKH-AWEZNQCLSA-N 2 0 366.527 3.076 20 0 FGADRP CC[NH+](CC)CCn1ccc2cc(NC(=O)[C@H]3CCCC[N@@H+]3C)ccc21 ZINC000606359978 507373105 /nfs/dbraw/zinc/37/31/05/507373105.db2.gz CZHJXUOMYRHWEV-HXUWFJFHSA-N 2 0 356.514 3.406 20 0 FGADRP C[C@H](NC(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1)C1CC[NH+](C)CC1 ZINC000606692344 507484031 /nfs/dbraw/zinc/48/40/31/507484031.db2.gz QAHFPHYLRRLVCQ-ROUUACIJSA-N 2 0 372.557 3.242 20 0 FGADRP COC(=O)c1cc(C[NH2+]CCCCC[NH+]2CCCCC2)n2c1CCCC2 ZINC000598634791 507526444 /nfs/dbraw/zinc/52/64/44/507526444.db2.gz SNJJKDJXDBABGW-UHFFFAOYSA-N 2 0 361.530 3.357 20 0 FGADRP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH+]2[C@H](C)CCC[C@H]2C)CC1 ZINC000595571743 507567740 /nfs/dbraw/zinc/56/77/40/507567740.db2.gz BWLOOTFQRRYBLT-WOJBJXKFSA-N 2 0 357.542 3.292 20 0 FGADRP CCCC[N@H+](C)CCNC(=O)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000602441495 507713039 /nfs/dbraw/zinc/71/30/39/507713039.db2.gz XSTIQSFRLKXCSJ-UHFFFAOYSA-N 2 0 352.567 3.016 20 0 FGADRP CN1CCC([N@@H+]2CC[C@H](Nc3nc(C(F)F)nc4ccccc43)C2)CC1 ZINC000602234535 521225679 /nfs/dbraw/zinc/22/56/79/521225679.db2.gz ZBPMNDMSILMQQD-ZDUSSCGKSA-N 2 0 361.440 3.148 20 0 FGADRP Cc1nc(NC[C@H]2CC[N@@H+](C(C)C)C2)cc(NC[C@H]2CC[NH+](C(C)C)C2)[nH+]1 ZINC000533101234 562498363 /nfs/dbraw/zinc/49/83/63/562498363.db2.gz KTTODMAIWOBOQQ-RTBURBONSA-N 3 0 374.577 3.069 20 0 FGADRP c1cc(OCC[NH+]2CCCC2)ccc1C[N@@H+]1CCOC[C@H](C2CCC2)C1 ZINC000644842986 568181302 /nfs/dbraw/zinc/18/13/02/568181302.db2.gz HHFHTKHRYQKBFM-OAQYLSRUSA-N 2 0 358.526 3.410 20 0 FGADRP CC[NH+](CC)Cc1cccc(C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)c1 ZINC000821198796 606409360 /nfs/dbraw/zinc/40/93/60/606409360.db2.gz WGHSDEOACWACAU-UHFFFAOYSA-N 2 0 356.499 3.060 20 0 FGADRP C[C@@H]1CCC[N@H+](CCCC[NH2+][C@H]2CCCc3cc(-c4nn[nH]n4)ccc32)C1 ZINC000824945774 608501716 /nfs/dbraw/zinc/50/17/16/608501716.db2.gz FLMDKWZZLDJQHP-UZLBHIALSA-N 2 0 368.529 3.346 20 0 FGADRP c1ccc(C[NH+]2CCCCC2)c(C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000826521229 609412961 /nfs/dbraw/zinc/41/29/61/609412961.db2.gz FHZCLRADYQWEMZ-UHFFFAOYSA-N 2 0 362.481 3.142 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CNC(=S)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000044133036 695803615 /nfs/dbraw/zinc/80/36/15/695803615.db2.gz GIVRLNFZFLZVIP-IBGZPJMESA-N 2 0 360.571 3.443 20 0 FGADRP C[NH+](C)C1(C(=O)NCC2CC[NH+](Cc3ccccc3Cl)CC2)CCC1 ZINC000119414467 700628396 /nfs/dbraw/zinc/62/83/96/700628396.db2.gz LTCPGILXAILZNQ-UHFFFAOYSA-N 2 0 363.933 3.153 20 0 FGADRP C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]C[C@@H](C1CC1)N(C)C ZINC000121043566 700664447 /nfs/dbraw/zinc/66/44/47/700664447.db2.gz IFPFTDBGSATJDR-WBMJQRKESA-N 2 0 357.420 3.352 20 0 FGADRP CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000123404209 700704442 /nfs/dbraw/zinc/70/44/42/700704442.db2.gz BHGFYWPPJCFLOA-QZTJIDSGSA-N 2 0 351.535 3.429 20 0 FGADRP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1ccc(SC(F)F)cc1 ZINC000128192277 700772182 /nfs/dbraw/zinc/77/21/82/700772182.db2.gz SBRBOWCGLSKDOW-HIFRSBDPSA-N 2 0 371.497 3.239 20 0 FGADRP C[C@@H](CSC(C)(C)C)[NH2+]Cc1cccc(OCCN2CCOCC2)c1 ZINC000155168395 705066324 /nfs/dbraw/zinc/06/63/24/705066324.db2.gz JVOHBDSCYFFXJL-KRWDZBQOSA-N 2 0 366.571 3.407 20 0 FGADRP CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)C1 ZINC000164499149 705330058 /nfs/dbraw/zinc/33/00/58/705330058.db2.gz AFBXNDZLRHGSGX-QGZVFWFLSA-N 2 0 351.535 3.383 20 0 FGADRP C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000180166854 705730800 /nfs/dbraw/zinc/73/08/00/705730800.db2.gz CBBMNHDRHSRPEG-CRAIPNDOSA-N 2 0 351.535 3.096 20 0 FGADRP C[C@H]([NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000180344636 705735981 /nfs/dbraw/zinc/73/59/81/705735981.db2.gz GEHJFWCBNPPORL-GVDBMIGSSA-N 2 0 351.535 3.238 20 0 FGADRP C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000180825685 705759275 /nfs/dbraw/zinc/75/92/75/705759275.db2.gz LSMHSXQDDPTAKE-NVXWUHKLSA-N 2 0 353.551 3.484 20 0 FGADRP C[C@@H]([NH2+]CCC1CC[NH+](C)CC1)[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000182633998 705853778 /nfs/dbraw/zinc/85/37/78/705853778.db2.gz NXFYVOSCOJCGPE-AEFFLSMTSA-N 2 0 353.551 3.486 20 0 FGADRP C[NH+](C)CCOc1ccc(C[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)cc1 ZINC000185275763 712690482 /nfs/dbraw/zinc/69/04/82/712690482.db2.gz MBNUTWUGHNEWNB-UHFFFAOYSA-N 2 0 363.845 3.478 20 0 FGADRP C[NH+](C)CCC1CC[NH+](C[C@H](O)c2ccc(F)c(Br)c2)CC1 ZINC000186727821 712725455 /nfs/dbraw/zinc/72/54/55/712725455.db2.gz FFNWBBDOTKRCQW-KRWDZBQOSA-N 2 0 373.310 3.285 20 0 FGADRP CC[NH+](CC)C[C@@H]1CC[N@H+](C[C@]2(C)CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000195175191 713547959 /nfs/dbraw/zinc/54/79/59/713547959.db2.gz MMHOTVFDRAABDQ-PXNSSMCTSA-N 2 0 353.551 3.297 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1CCC[NH2+]C[C@]1(C)CCN(C(=O)OC(C)(C)C)C1 ZINC000195185650 713548513 /nfs/dbraw/zinc/54/85/13/713548513.db2.gz WSNGCTCCBWLHNR-XLIONFOSSA-N 2 0 353.551 3.488 20 0 FGADRP Clc1cc(CNC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)ccc1Br ZINC000236072173 713580750 /nfs/dbraw/zinc/58/07/50/713580750.db2.gz VKIIZQGCIYFCNJ-CHWSQXEVSA-N 2 0 359.695 3.055 20 0 FGADRP CCC(CC)(C[NH3+])C(=O)NC[C@@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000236679174 713582447 /nfs/dbraw/zinc/58/24/47/713582447.db2.gz JNZZCJWEAKBMSL-INIZCTEOSA-N 2 0 351.560 3.402 20 0 FGADRP C[N@@H+]1CCC[C@@H]2C[NH+](C[C@H]3CCCN(C(=O)OC(C)(C)C)C3)CC[C@@H]21 ZINC000247993972 713645121 /nfs/dbraw/zinc/64/51/21/713645121.db2.gz JTHSWZXYSMUMPX-KURKYZTESA-N 2 0 351.535 3.050 20 0 FGADRP C[C@H](C[NH2+][C@H]1CCC[C@H]1CNC(=O)OC(C)(C)C)C[NH+]1CCCCC1 ZINC000301467116 713782048 /nfs/dbraw/zinc/78/20/48/713782048.db2.gz ZQKJMRMECJNNTK-SQNIBIBYSA-N 2 0 353.551 3.391 20 0 FGADRP C[C@H](C[NH2+][C@@H]1CCC[C@H]1CNC(=O)OC(C)(C)C)C[NH+]1CCCCC1 ZINC000301467113 713782213 /nfs/dbraw/zinc/78/22/13/713782213.db2.gz ZQKJMRMECJNNTK-FGTMMUONSA-N 2 0 353.551 3.391 20 0 FGADRP C[C@H]([NH2+]CCC[NH+]1CCCCC1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000310475002 713798750 /nfs/dbraw/zinc/79/87/50/713798750.db2.gz CRXNNGHEXQBUJL-ZWKOTPCHSA-N 2 0 353.551 3.488 20 0 FGADRP CN(CCCC[NH+]1CCCCC1)C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000641815619 717931749 /nfs/dbraw/zinc/93/17/49/717931749.db2.gz PDRPTYMQBMHOQN-UHFFFAOYSA-N 2 0 352.567 3.014 20 0 FGADRP Cc1nnc(N2CCC([NH2+]CCCC[NH+]3C[C@H](C)C[C@@H](C)C3)CC2)s1 ZINC000374717407 713940963 /nfs/dbraw/zinc/94/09/63/713940963.db2.gz MTIGOBHXUKUUIP-HZPDHXFCSA-N 2 0 365.591 3.163 20 0 FGADRP CC(C)C[NH+]1CCC([NH2+][C@@H]2CC[C@H](CNC(=O)OC(C)(C)C)C2)CC1 ZINC000382450539 713979932 /nfs/dbraw/zinc/97/99/32/713979932.db2.gz DWVDICYIZBGFGY-FUHWJXTLSA-N 2 0 353.551 3.390 20 0 FGADRP C[NH+](C)CCCC(C)(C)[NH2+]Cc1cc2c(c(Br)c1)OCO2 ZINC000387304308 713986117 /nfs/dbraw/zinc/98/61/17/713986117.db2.gz KNHDMAXOBUSCAR-UHFFFAOYSA-N 2 0 357.292 3.388 20 0 FGADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)NCC[NH+]2[C@@H](C)CCC[C@@H]2C)C1 ZINC000521682875 714141552 /nfs/dbraw/zinc/14/15/52/714141552.db2.gz KTALOEUSAXZOSZ-QYZOEREBSA-N 2 0 352.567 3.061 20 0 FGADRP CSC1(C[NH2+]Cc2cc(C(F)(F)F)ccc2N2CC[NH+](C)CC2)CC1 ZINC000577782434 714469178 /nfs/dbraw/zinc/46/91/78/714469178.db2.gz VZXHYDQFOVCCOO-UHFFFAOYSA-N 2 0 373.488 3.442 20 0 FGADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2CCn1ccc2cc(Cl)ccc21 ZINC000577920114 714471027 /nfs/dbraw/zinc/47/10/27/714471027.db2.gz BMMLTEHRQNYOJX-MISYRCLQSA-N 2 0 361.917 3.478 20 0 FGADRP CSC1(C[NH2+][C@H](C)c2cccc(N3CCOCC3)c2)CC[NH+](C)CC1 ZINC000579891530 714500044 /nfs/dbraw/zinc/50/00/44/714500044.db2.gz VSFBSXGBOYDGHC-QGZVFWFLSA-N 2 0 363.571 3.001 20 0 FGADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CCNc1ncc(C(F)(F)F)cc1Cl ZINC000643461106 718034861 /nfs/dbraw/zinc/03/48/61/718034861.db2.gz TXBRASQPJONGAZ-MFKMUULPSA-N 2 0 350.816 3.143 20 0 FGADRP C[C@@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000643521944 718037344 /nfs/dbraw/zinc/03/73/44/718037344.db2.gz FRVAXSGOVCUPIY-NVXWUHKLSA-N 2 0 350.528 3.196 20 0 FGADRP Brc1ccc([C@H]([NH2+][C@H]2CCC[NH2+]CC2)[C@@H]2CCCO2)cc1 ZINC000643523197 718037605 /nfs/dbraw/zinc/03/76/05/718037605.db2.gz XLEYIGFAXKKTHP-ULQDDVLXSA-N 2 0 353.304 3.401 20 0 FGADRP C[N@@H+]1CC[C@@H]([NH2+]C[C@@H](c2ccccc2Cl)N2CCOCC2)CC1(C)C ZINC000623347615 715315913 /nfs/dbraw/zinc/31/59/13/715315913.db2.gz GAWPEOLFFCIQBC-APWZRJJASA-N 2 0 365.949 3.176 20 0 FGADRP COc1cc(C[NH2+]C[C@@H]2CCCC[N@H+](C)C2)ccc1OCC(F)(F)F ZINC000623655915 715379981 /nfs/dbraw/zinc/37/99/81/715379981.db2.gz IORZRGYAOMFZQT-HNNXBMFYSA-N 2 0 360.420 3.458 20 0 FGADRP Cc1ccc(Br)cc1[C@@H](C)[NH2+]CCCN1CC[NH+](C)CC1 ZINC000623853909 715415425 /nfs/dbraw/zinc/41/54/25/715415425.db2.gz LGWJYFYKEBRYDG-OAHLLOKOSA-N 2 0 354.336 3.046 20 0 FGADRP Cc1ccc(Br)cc1[C@@H](C)[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000623859337 715416778 /nfs/dbraw/zinc/41/67/78/715416778.db2.gz KEYNNPRJCFACPO-OAHLLOKOSA-N 2 0 368.363 3.434 20 0 FGADRP Cc1csc([C@H](C)[NH2+]CCCN2CC[N@H+](C)C[C@H]2c2ccccc2)n1 ZINC000623861467 715417316 /nfs/dbraw/zinc/41/73/16/715417316.db2.gz YYEVPUSFKJSPSK-HKUYNNGSSA-N 2 0 358.555 3.481 20 0 FGADRP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CN(c3ccc(Cl)cc3)CCO2)[C@H]2CCC[C@@H]21 ZINC000624119910 715476607 /nfs/dbraw/zinc/47/66/07/715476607.db2.gz MDPCWBKNHQTFMF-ZRNYENFQSA-N 2 0 363.933 3.008 20 0 FGADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000779132020 724394152 /nfs/dbraw/zinc/39/41/52/724394152.db2.gz XCTANHWIWKUYQI-QZTJIDSGSA-N 2 0 353.551 3.344 20 0 FGADRP C[NH+](C)C[C@H](NC(=O)N[C@@H]1CCC[NH2+]CC1)c1ccc(Cl)c(Cl)c1 ZINC000627086160 715994738 /nfs/dbraw/zinc/99/47/38/715994738.db2.gz JKSMQLWKQLXYNO-CJNGLKHVSA-N 2 0 373.328 3.037 20 0 FGADRP C[NH+](C)C[C@@H](NC(=O)NCC1([NH3+])CCCC1)c1ccc(Cl)c(Cl)c1 ZINC000627114098 715997997 /nfs/dbraw/zinc/99/79/97/715997997.db2.gz XHQSPBKLPWIHGQ-OAHLLOKOSA-N 2 0 373.328 3.167 20 0 FGADRP Fc1ccc(SCC[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)c(F)c1 ZINC000629591865 716315241 /nfs/dbraw/zinc/31/52/41/716315241.db2.gz PNQFWABLYZQVPE-MRXNPFEDSA-N 2 0 356.482 3.147 20 0 FGADRP O[C@@H](C[NH2+]C[C@H]1CCN1C1CCCCC1)COCc1ccc(Cl)cc1 ZINC000629608270 716321400 /nfs/dbraw/zinc/32/14/00/716321400.db2.gz SCHPHTUOPLRWLZ-UXHICEINSA-N 2 0 366.933 3.214 20 0 FGADRP C[NH+]1CCN(c2cc[nH+]c(NCc3cnc(-c4ccco4)s3)c2)CC1 ZINC000630960078 716537402 /nfs/dbraw/zinc/53/74/02/716537402.db2.gz CEJHSDWHDWBVBD-UHFFFAOYSA-N 2 0 355.467 3.162 20 0 FGADRP Cc1ccc(C[NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)cc1Br ZINC000635013561 717139466 /nfs/dbraw/zinc/13/94/66/717139466.db2.gz TYDWWPBMUJXMOF-DJIMGWMZSA-N 2 0 353.304 3.004 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)c1ccccc1Cl ZINC000635188611 717152534 /nfs/dbraw/zinc/15/25/34/717152534.db2.gz OPMBENSRBNNCEF-YJBOKZPZSA-N 2 0 351.922 3.181 20 0 FGADRP O=C(NCC1CC[NH+](Cc2cccs2)CC1)[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000635452732 717171872 /nfs/dbraw/zinc/17/18/72/717171872.db2.gz IPSJNQCYQDTOCG-IBGZPJMESA-N 2 0 361.555 3.093 20 0 FGADRP C[NH+](C)C[C@@H](NC(=O)C[C@H]1CC[N@H+](C)C1)c1ccc(Cl)c(Cl)c1 ZINC000636280630 717256173 /nfs/dbraw/zinc/25/61/73/717256173.db2.gz DYSVIAKEXSFTEA-MLGOLLRUSA-N 2 0 358.313 3.054 20 0 FGADRP C[C@@H]1C[C@H]([NH2+]Cc2cccc(OCC[N@H+](C)C3CCOCC3)c2)CS1 ZINC000638508971 717453397 /nfs/dbraw/zinc/45/33/97/717453397.db2.gz PUBRKCFDCCWNLM-AEFFLSMTSA-N 2 0 364.555 3.160 20 0 FGADRP C[NH+]1CCC2(CC[N@H+](CCC(=O)Nc3ccc(Cl)cc3F)C2)CC1 ZINC000639759796 717598805 /nfs/dbraw/zinc/59/88/05/717598805.db2.gz JUMMVJGNENHCGB-UHFFFAOYSA-N 2 0 353.869 3.225 20 0 FGADRP C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000647553326 718367370 /nfs/dbraw/zinc/36/73/70/718367370.db2.gz RWZRMVAYPYCXQK-OAHLLOKOSA-N 2 0 359.901 3.326 20 0 FGADRP OC[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)c1ccc(Cl)cc1C(F)(F)F ZINC000647796480 718378136 /nfs/dbraw/zinc/37/81/36/718378136.db2.gz ATLGOSPJCZJBPA-IQDSPRDJSA-N 2 0 362.823 3.370 20 0 FGADRP COc1ccc(Cl)cc1NC(=O)CC[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000647901192 718385252 /nfs/dbraw/zinc/38/52/52/718385252.db2.gz KQFAPMRUPNOASB-GOEBONIOSA-N 2 0 365.905 3.141 20 0 FGADRP O=C(CC[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1)Nc1ccc(Cl)cc1F ZINC000647902059 718385408 /nfs/dbraw/zinc/38/54/08/718385408.db2.gz ZIHIJOCKJJSPPF-BBRMVZONSA-N 2 0 353.869 3.272 20 0 FGADRP C[C@H](C(=O)Nc1ccc(F)cc1F)[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647975894 718390874 /nfs/dbraw/zinc/39/08/74/718390874.db2.gz HJDHEIDFNULEOV-KFWWJZLASA-N 2 0 351.441 3.003 20 0 FGADRP C[C@H](C(=O)Nc1ccc(F)cc1F)[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647975895 718391118 /nfs/dbraw/zinc/39/11/18/718391118.db2.gz HJDHEIDFNULEOV-QLFBSQMISA-N 2 0 351.441 3.003 20 0 FGADRP C[N@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(C[C@@H]2CC[NH2+]C2)CC1 ZINC000647988415 718392852 /nfs/dbraw/zinc/39/28/52/718392852.db2.gz GTUYUACZXAJKMD-MRXNPFEDSA-N 2 0 355.448 3.211 20 0 FGADRP CC1CC[NH+](Cc2ccc(NC(=O)[C@H]3C[NH2+]CCC3(F)F)cc2)CC1 ZINC000649288326 718501160 /nfs/dbraw/zinc/50/11/60/718501160.db2.gz KHNOQHYFOZCCSG-QGZVFWFLSA-N 2 0 351.441 3.102 20 0 FGADRP C[C@@H](CCNC(=O)[C@@H]([NH3+])c1cccc(Cl)c1)[N@H+](C)Cc1ccccc1 ZINC000649347433 718506253 /nfs/dbraw/zinc/50/62/53/718506253.db2.gz WYSPCIWDEGADAR-KXBFYZLASA-N 2 0 359.901 3.367 20 0 FGADRP C[N@@H+]1CCC[C@@H](NC(=O)Nc2ccc(SCC[NH+]3CCCC3)cc2)C1 ZINC000650417879 718675465 /nfs/dbraw/zinc/67/54/65/718675465.db2.gz GBRIBWUUWJEVHF-QGZVFWFLSA-N 2 0 362.543 3.090 20 0 FGADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@H+](Cc3cc(Br)cs3)C2)C1 ZINC000650705269 718716553 /nfs/dbraw/zinc/71/65/53/718716553.db2.gz ASOBALZSUJJYDI-NJZAAPMLSA-N 2 0 359.333 3.229 20 0 FGADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@H+](Cc3ccc(Br)cc3)C2)C1 ZINC000650705470 718716837 /nfs/dbraw/zinc/71/68/37/718716837.db2.gz ICAHVLJCADIVBY-UAGQMJEPSA-N 2 0 353.304 3.167 20 0 FGADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2Cc2ccc(F)cc2Br)C1 ZINC000650724058 718721286 /nfs/dbraw/zinc/72/12/86/718721286.db2.gz XRODLVOULKHDRA-OIISXLGYSA-N 2 0 371.294 3.449 20 0 FGADRP C[C@@H]([NH2+]CCC1(C[NH3+])CC1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000650744096 718723299 /nfs/dbraw/zinc/72/32/99/718723299.db2.gz GDLSUQCYYXBJKM-OAHLLOKOSA-N 2 0 350.528 3.183 20 0 FGADRP C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]CCC1CC[NH2+]CC1 ZINC000650763671 718724594 /nfs/dbraw/zinc/72/45/94/718724594.db2.gz GWWZSXGWIMKNEA-CYBMUJFWSA-N 2 0 357.420 3.402 20 0 FGADRP Cc1oc(-c2cccs2)nc1C[N@@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652347148 718934925 /nfs/dbraw/zinc/93/49/25/718934925.db2.gz STRSJUAKJAHHOF-ZOBUZTSGSA-N 2 0 361.511 3.430 20 0 FGADRP [NH3+]C[C@@H]1CC[C@H](NC(=O)Nc2ccc(SCC[NH+]3CCCC3)cc2)C1 ZINC000652614095 718966482 /nfs/dbraw/zinc/96/64/82/718966482.db2.gz NRSZVCATGQPXGZ-WBVHZDCISA-N 2 0 362.543 3.123 20 0 FGADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000654857713 719240882 /nfs/dbraw/zinc/24/08/82/719240882.db2.gz CFWARYQESFTSPD-SFHVURJKSA-N 2 0 361.555 3.213 20 0 FGADRP CCC(CC)[C@H](CNC1CC[NH+](C[C@@H]2CCCO2)CC1)[NH+]1CCCC1 ZINC000655687521 719325632 /nfs/dbraw/zinc/32/56/32/719325632.db2.gz ZBFKYNQPLBWMOA-SFTDATJTSA-N 2 0 351.579 3.120 20 0 FGADRP C[NH+](C)C[C@@H](NC1CC[NH+](C[C@H]2CCCO2)CC1)c1ccc(Cl)cc1 ZINC000655765635 719336606 /nfs/dbraw/zinc/33/66/06/719336606.db2.gz IDSBPNHLNAVHEB-WOJBJXKFSA-N 2 0 365.949 3.176 20 0 FGADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2cc(Cl)ccc2OC[C@H]2CCCO2)C1 ZINC000655827046 719344667 /nfs/dbraw/zinc/34/46/67/719344667.db2.gz ORSRWBXUGJZPIQ-FHLIZLRMSA-N 2 0 352.906 3.328 20 0 FGADRP C[NH+](C)[C@@H](CNC(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1)c1cccs1 ZINC000656551350 719407313 /nfs/dbraw/zinc/40/73/13/719407313.db2.gz JPMIUHMDLYHVFJ-RDJZCZTQSA-N 2 0 364.559 3.057 20 0 FGADRP CC(C)C[C@H]([NH3+])c1noc(-c2sc3c(c2Br)C[NH2+]C3)n1 ZINC000656559975 719409983 /nfs/dbraw/zinc/40/99/83/719409983.db2.gz CPQKDQPYTGNWMH-QMMMGPOBSA-N 2 0 357.277 3.210 20 0 FGADRP Cc1nn2c(C[N@@H+]3CCC[C@@H](C4CC[NH2+]CC4)C3)c(C(C)C)nc2s1 ZINC000656783077 719470481 /nfs/dbraw/zinc/47/04/81/719470481.db2.gz NUHPGDDRLGUTEE-MRXNPFEDSA-N 2 0 361.559 3.434 20 0 FGADRP Oc1ccc(Br)c(C[NH2+]CC2CC[NH+](CC3CC3)CC2)c1 ZINC000657812886 719716232 /nfs/dbraw/zinc/71/62/32/719716232.db2.gz JVCLRNLGUQALIS-UHFFFAOYSA-N 2 0 353.304 3.366 20 0 FGADRP C[C@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1ccc(Br)c(Cl)c1 ZINC000657888179 719725502 /nfs/dbraw/zinc/72/55/02/719725502.db2.gz OZYYAIUMHHCEDS-NSHDSACASA-N 2 0 361.711 3.210 20 0 FGADRP O=C1Nc2ccccc2S[C@@H]1CC[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000659946031 719961874 /nfs/dbraw/zinc/96/18/74/719961874.db2.gz YUNFUIZFOXQARZ-QFBILLFUSA-N 2 0 359.539 3.440 20 0 FGADRP Brc1ccc([C@@H]2CCC[N@@H+]2C[C@@H]2CCC3(C[NH2+]C3)O2)s1 ZINC000662281738 720409447 /nfs/dbraw/zinc/40/94/47/720409447.db2.gz ZTQRLDIOLPALAA-RYUDHWBXSA-N 2 0 357.317 3.169 20 0 FGADRP O=C(C[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1)Nc1ccc(F)c(Cl)c1 ZINC000662295596 720411628 /nfs/dbraw/zinc/41/16/28/720411628.db2.gz VPORJPYORIBULJ-AWEZNQCLSA-N 2 0 353.869 3.129 20 0 FGADRP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)c2cc3c(s2)CC[NH2+]C3)C1 ZINC000662459539 720430879 /nfs/dbraw/zinc/43/08/79/720430879.db2.gz IYUGTOIUWBDYBU-HOTGVXAUSA-N 2 0 361.555 3.120 20 0 FGADRP C[C@@H](CCNC(=O)c1cc2c(s1)CC[NH2+]C2)[N@H+](C)Cc1ccccc1 ZINC000662485196 720433661 /nfs/dbraw/zinc/43/36/61/720433661.db2.gz DPXREKHJGVSONQ-HNNXBMFYSA-N 2 0 357.523 3.034 20 0 FGADRP CCN(C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1)[C@@H]1CC[N@H+](CC)C1 ZINC000663451458 720516268 /nfs/dbraw/zinc/51/62/68/720516268.db2.gz ROINEKKUYBCIMN-IAGOWNOFSA-N 2 0 364.559 3.011 20 0 FGADRP C[NH+](C)C[C@H](NC(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1)c1ccc(Cl)cc1 ZINC000665554068 720784863 /nfs/dbraw/zinc/78/48/63/720784863.db2.gz FFMJEZXRDYNJCX-SJORKVTESA-N 2 0 366.937 3.115 20 0 FGADRP CCOc1cc(C[NH2+][C@H]2CC23CC[NH2+]CC3)cc(Br)c1OC ZINC000666950829 721004770 /nfs/dbraw/zinc/00/47/70/721004770.db2.gz KXCUVKKBJBBMAU-HNNXBMFYSA-N 2 0 369.303 3.088 20 0 FGADRP FC(F)Oc1ccc(Br)cc1C[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000666953499 721004859 /nfs/dbraw/zinc/00/48/59/721004859.db2.gz ADJSCTGBUQDDOM-CYBMUJFWSA-N 2 0 361.230 3.282 20 0 FGADRP C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+][C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000666995204 721011049 /nfs/dbraw/zinc/01/10/49/721011049.db2.gz GHLWTRBSVNCJKX-CRAIPNDOSA-N 2 0 363.933 3.341 20 0 FGADRP CCC[N@H+](C)[C@@H](CNC(=O)N1CCC(C)([NH3+])CC1)c1ccc(Cl)cc1 ZINC000669583613 721468853 /nfs/dbraw/zinc/46/88/53/721468853.db2.gz HEEUQYJXUNIOEX-KRWDZBQOSA-N 2 0 366.937 3.246 20 0 FGADRP C[NH+]1CCN(C(C)(C)C[NH2+][C@H]2CCCOc3ccc(Cl)cc32)CC1 ZINC000675741420 721771556 /nfs/dbraw/zinc/77/15/56/721771556.db2.gz DYJNGSUEVRMZBG-KRWDZBQOSA-N 2 0 351.922 3.169 20 0 FGADRP NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+][C@H]2CCCCc3ccc(Cl)cc32)C1 ZINC000675821892 721776116 /nfs/dbraw/zinc/77/61/16/721776116.db2.gz OWVVMLYLHHAPKY-APWZRJJASA-N 2 0 363.933 3.285 20 0 FGADRP Cc1nc([C@H](C)[NH2+]CCCN2CCN(c3cc[nH+]cc3)CC2)c(C)s1 ZINC000676489017 721808926 /nfs/dbraw/zinc/80/89/26/721808926.db2.gz GWCZHTRXTQNMRT-HNNXBMFYSA-N 2 0 359.543 3.018 20 0 FGADRP Cc1nc([C@@H](C)[NH2+]CC2CC[NH+](CC(=O)NC(C)(C)C)CC2)c(C)s1 ZINC000676491447 721809342 /nfs/dbraw/zinc/80/93/42/721809342.db2.gz CAALQMLFGNHCCB-CYBMUJFWSA-N 2 0 366.575 3.037 20 0 FGADRP FC(F)Oc1ccccc1N1CC[C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000677242021 721876264 /nfs/dbraw/zinc/87/62/64/721876264.db2.gz WFGBJSPQODZEJD-PMPSAXMXSA-N 2 0 351.441 3.083 20 0 FGADRP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)N(C(=O)OC(C)(C)C)C3)C1 ZINC000709486861 722413193 /nfs/dbraw/zinc/41/31/93/722413193.db2.gz NWJIFFHXSJMTOS-FJIDUMEYSA-N 2 0 351.535 3.096 20 0 FGADRP Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C[NH2+]CCCC[NH+](C)C ZINC000742734063 722559391 /nfs/dbraw/zinc/55/93/91/722559391.db2.gz DTRJAYKPHNDKBO-UHFFFAOYSA-N 2 0 352.885 3.464 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@H](O)c2cccc(Cl)c2)[C@@H](C)C1 ZINC000765259995 723499281 /nfs/dbraw/zinc/49/92/81/723499281.db2.gz QDAGHBSLWZCJCA-ZYSHUDEJSA-N 2 0 354.922 3.100 20 0 FGADRP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCN(C(=O)OC(C)(C)C)CC2)[C@@H]2CCC[C@@H]21 ZINC000796947185 723660434 /nfs/dbraw/zinc/66/04/34/723660434.db2.gz IXFSCVZLNQQOFE-OWSLCNJRSA-N 2 0 351.535 3.238 20 0 FGADRP C[C@H]([NH2+]CCCN(C)C(=O)OC(C)(C)C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000797981649 723894941 /nfs/dbraw/zinc/89/49/41/723894941.db2.gz SDEZEVVVBYUREZ-IRXDYDNUSA-N 2 0 353.551 3.486 20 0 FGADRP C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000774494684 723899869 /nfs/dbraw/zinc/89/98/69/723899869.db2.gz DYCDZLPPFFPWGU-QAPCUYQASA-N 2 0 351.535 3.096 20 0 FGADRP C[C@@H]1C[C@@H]([NH2+]C2CC[NH+](CC3CC3)CC2)CCN1C(=O)OC(C)(C)C ZINC000774514287 723901259 /nfs/dbraw/zinc/90/12/59/723901259.db2.gz XSRITIJMWSLQPU-QAPCUYQASA-N 2 0 351.535 3.238 20 0 FGADRP Cn1nc(C(F)(F)F)c(C[NH2+]CC2CC[NH+](C3CC3)CC2)c1Cl ZINC000775200438 723970495 /nfs/dbraw/zinc/97/04/95/723970495.db2.gz KLTXKDOZGUVKKE-UHFFFAOYSA-N 2 0 350.816 3.056 20 0 FGADRP C[C@@H](C(=O)NCc1ccc(Cl)cc1)[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000799176901 723995249 /nfs/dbraw/zinc/99/52/49/723995249.db2.gz FJPPDFCUSABZON-INIZCTEOSA-N 2 0 363.933 3.153 20 0 FGADRP CC(C)(C)[NH+]1CCC([NH2+]C[C@@H](O)c2cccc(Br)c2)CC1 ZINC000802314436 724376780 /nfs/dbraw/zinc/37/67/80/724376780.db2.gz DRDWBMDUNHBLLX-MRXNPFEDSA-N 2 0 355.320 3.335 20 0 FGADRP CC[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)CC[C@H]2C)C1 ZINC000812720100 726806585 /nfs/dbraw/zinc/80/65/85/726806585.db2.gz YSMHHPPCXGAXQY-KZNAEPCWSA-N 2 0 353.551 3.344 20 0 FGADRP C[C@@H]1CC[C@@H]1[NH2+]C1CCC([NH+]2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000812744481 726807605 /nfs/dbraw/zinc/80/76/05/726807605.db2.gz GZXFRVRIMWJLCQ-CPFNUKBASA-N 2 0 351.535 3.238 20 0 FGADRP C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1[NH2+]C1CCC([NH+](C)C)CC1 ZINC000817414056 727248908 /nfs/dbraw/zinc/24/89/08/727248908.db2.gz QTHHKHLWZKAEHC-CPFNUKBASA-N 2 0 353.551 3.484 20 0 FGADRP O[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1)c1ccccc1Br ZINC000817934605 727288604 /nfs/dbraw/zinc/28/86/04/727288604.db2.gz IZODGSNIBYIDMF-DZJNRPSUSA-N 2 0 367.331 3.383 20 0 FGADRP CC[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000817987867 727290722 /nfs/dbraw/zinc/29/07/22/727290722.db2.gz ZAQQVZMAMBECEF-IECFSIQFSA-N 2 0 351.535 3.142 20 0 FGADRP CC(C)C[NH+]1CCC([NH2+]C[C@H](O)c2ccc(Br)cc2)CC1 ZINC000818979866 727333734 /nfs/dbraw/zinc/33/37/34/727333734.db2.gz CEXKPMAPXBPYDX-KRWDZBQOSA-N 2 0 355.320 3.193 20 0 FGADRP O[C@H](C[NH2+]C1CC[NH+](C2CCC2)CC1)c1ccc(Br)cc1 ZINC000819354639 727370798 /nfs/dbraw/zinc/37/07/98/727370798.db2.gz LVGGDNFWYXPAOE-QGZVFWFLSA-N 2 0 353.304 3.089 20 0 FGADRP C[N@H+](CCCC[NH2+]C[C@](C)(O)c1ccc(Br)cc1F)C1CC1 ZINC000819362751 727371124 /nfs/dbraw/zinc/37/11/24/727371124.db2.gz RDAGLRXDIDYRBD-KRWDZBQOSA-N 2 0 373.310 3.260 20 0 FGADRP CC(C)[C@H](CNC(=O)OC(C)(C)C)C[NH2+]C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000823818569 729306603 /nfs/dbraw/zinc/30/66/03/729306603.db2.gz IDKUGTHSHPXXQS-MSOLQXFVSA-N 2 0 355.567 3.493 20 0 FGADRP CC(C)(C)OC(=O)N1CCC[C@@H]1CCC[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000824993115 729367106 /nfs/dbraw/zinc/36/71/06/729367106.db2.gz NUEOFTYUUZFXDX-OKZBNKHCSA-N 2 0 351.535 3.383 20 0 FGADRP Cc1cc([C@H]([NH3+])CC(=O)NCCCC[N@H+]2CCC[C@@H](C)C2)cc(Cl)n1 ZINC000827104019 729424395 /nfs/dbraw/zinc/42/43/95/729424395.db2.gz UHWNERIQLPKQDS-RHSMWYFYSA-N 2 0 366.937 3.062 20 0 FGADRP CCC[NH2+][C@H](C)C(=O)Nc1ccc(N2CC[NH+](CCC)CC2)c(Cl)c1 ZINC000827617057 729432386 /nfs/dbraw/zinc/43/23/86/729432386.db2.gz BEFYQNQVODXOJK-OAHLLOKOSA-N 2 0 366.937 3.199 20 0 FGADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)C[C@H]([NH3+])c1cc(C)nc(Cl)c1 ZINC000828049291 729439227 /nfs/dbraw/zinc/43/92/27/729439227.db2.gz QPIFBAHEGVMNIG-SJORKVTESA-N 2 0 366.937 3.204 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)C[C@@H]([NH3+])c1cc(C)nc(Cl)c1)CC(C)C ZINC000831137923 729620531 /nfs/dbraw/zinc/62/05/31/729620531.db2.gz FIFLAIBPGDSNGA-DLBZAZTESA-N 2 0 368.953 3.306 20 0 FGADRP CC[C@@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000834508754 729808438 /nfs/dbraw/zinc/80/84/38/729808438.db2.gz QGJVHUTVIFZPAZ-NXHRZFHOSA-N 2 0 351.535 3.238 20 0 FGADRP Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000841036350 730205059 /nfs/dbraw/zinc/20/50/59/730205059.db2.gz LRZRXLYGDYBJDX-CQSZACIVSA-N 2 0 350.869 3.122 20 0 FGADRP CCCCn1nc(C)c(C[NH+]2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)c1Cl ZINC000841100369 730211177 /nfs/dbraw/zinc/21/11/77/730211177.db2.gz WNIOJXLEXRNJCY-ROUUACIJSA-N 2 0 368.953 3.363 20 0 FGADRP C[NH+](C)CCCCCCCNC(=O)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]C1 ZINC000841741326 730269944 /nfs/dbraw/zinc/26/99/44/730269944.db2.gz NMQRSBVDXWLNRR-RTBURBONSA-N 2 0 352.567 3.062 20 0 FGADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000841754899 730271001 /nfs/dbraw/zinc/27/10/01/730271001.db2.gz VTBYEFNVTHKNBM-LJQANCHMSA-N 2 0 352.567 3.046 20 0 FGADRP CSC1(C[NH2+][C@H]2C[C@@H](C)CN(C(=O)OC(C)(C)C)C2)CC[NH+](C)CC1 ZINC000843410404 730616625 /nfs/dbraw/zinc/61/66/25/730616625.db2.gz SWDOFEXDJGDITK-CVEARBPZSA-N 2 0 371.591 3.049 20 0 FGADRP Cc1cc([C@@H]([NH3+])CC(=O)Nc2cc(C[NH+](C)C)ccc2C)cc(Cl)n1 ZINC000844188870 730691391 /nfs/dbraw/zinc/69/13/91/730691391.db2.gz AEEQLRQOMBDGOX-INIZCTEOSA-N 2 0 360.889 3.442 20 0 FGADRP CSC1(C[NH2+]C2CC(CCNC(=O)OC(C)(C)C)C2)CC[NH+](C)CC1 ZINC000845977149 730914280 /nfs/dbraw/zinc/91/42/80/730914280.db2.gz UTUJKQQMXJGGQO-UHFFFAOYSA-N 2 0 371.591 3.097 20 0 FGADRP CC[NH+](CC)CCOc1ccc(C[NH2+]Cc2cnc(Cl)n2C)cc1 ZINC000848527673 731175692 /nfs/dbraw/zinc/17/56/92/731175692.db2.gz DMHAVUQXZQVEKV-UHFFFAOYSA-N 2 0 350.894 3.084 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCc1nc2cc(Cl)ccc2s1 ZINC000849057681 731225024 /nfs/dbraw/zinc/22/50/24/731225024.db2.gz IYUAPWFOJAVVHO-ZDUSSCGKSA-N 2 0 365.934 3.090 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1cc(F)c(C(F)(F)F)cc1F ZINC000849078022 731226780 /nfs/dbraw/zinc/22/67/80/731226780.db2.gz FIEGNNUIQWFIRQ-NSHDSACASA-N 2 0 364.362 3.082 20 0 FGADRP CCC[NH+]1CCN(c2ccccc2C[NH2+]CC2SCCS2)CC1 ZINC000850401514 731352558 /nfs/dbraw/zinc/35/25/58/731352558.db2.gz HGFGBXCHPGSPHN-UHFFFAOYSA-N 2 0 351.585 3.114 20 0 FGADRP CC(C)(C)OC(=O)N1CCC([NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)CC1 ZINC000853084190 731662233 /nfs/dbraw/zinc/66/22/33/731662233.db2.gz AXXUQMXKUFEAEY-QGZVFWFLSA-N 2 0 351.535 3.098 20 0 FGADRP CC(C)[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](CCc3cscn3)C2)ccn1 ZINC000856604279 732040684 /nfs/dbraw/zinc/04/06/84/732040684.db2.gz LPJQHCOQBGRIST-LJQANCHMSA-N 2 0 360.527 3.074 20 0 FGADRP C[NH+](C)Cc1ccc(C[N@H+](C)C[C@@H](O)COc2ccccc2Cl)cc1 ZINC000859214147 732290765 /nfs/dbraw/zinc/29/07/65/732290765.db2.gz MSRAWVZDXQXXHG-GOSISDBHSA-N 2 0 362.901 3.273 20 0 FGADRP C[C@@H]1CC(O)C[C@@H](C)[NH+]1CC[Si](C)(C)CC[N@H+]1[C@H](C)C[C@@H](O)C[C@@H]1C ZINC000859268959 732301139 /nfs/dbraw/zinc/30/11/39/732301139.db2.gz RIRKYXBESOHXRK-YFYQMDMQSA-N 2 0 370.654 3.162 20 0 FGADRP C[N@@H+]1CCC[C@H]1CC[NH+]1C[C@@]2(C)CN(C(=O)OC(C)(C)C)C[C@@]2(C)C1 ZINC000860034695 732437677 /nfs/dbraw/zinc/43/76/77/732437677.db2.gz RPTQYMJHWFXUEN-FFZOFVMBSA-N 2 0 351.535 3.050 20 0 FGADRP CC[C@@H](c1ccc(Cl)cc1)[NH+]1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000863550533 732976108 /nfs/dbraw/zinc/97/61/08/732976108.db2.gz YYYFNNPWXAHCMZ-KSZLIROESA-N 2 0 363.889 3.048 20 0 FGADRP CC(C)(C)OC(=O)N[C@@H](C[NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1)CC(F)F ZINC000865403904 733192850 /nfs/dbraw/zinc/19/28/50/733192850.db2.gz UZPIIIJYVOPQMP-GFCCVEGCSA-N 2 0 363.493 3.434 20 0 FGADRP C[NH+]1CCC(C[NH2+][C@@H]2CCO[C@@H](C(F)(F)F)C2)(c2ccccc2)CC1 ZINC000865774709 733266941 /nfs/dbraw/zinc/26/69/41/733266941.db2.gz LHZUAJSLBBDENU-IAGOWNOFSA-N 2 0 356.432 3.350 20 0 FGADRP C[NH+](C)C[C@@H]1CN(C(=O)Nc2ccc(Cl)c(Cl)c2)C[C@H]1C[NH+](C)C ZINC000866041376 733304998 /nfs/dbraw/zinc/30/49/98/733304998.db2.gz SRGRXMKHETZSEZ-CHWSQXEVSA-N 2 0 373.328 3.197 20 0 FGADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H](C)c2cc3c(ccnc3Cl)o2)CC1 ZINC000866233143 733327355 /nfs/dbraw/zinc/32/73/55/733327355.db2.gz RPVZAUQVHQYDLO-UONOGXRCSA-N 2 0 350.894 3.158 20 0 FGADRP C[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CC[C@H]([NH3+])CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000870911020 733901448 /nfs/dbraw/zinc/90/14/48/733901448.db2.gz PYUJYBWPUIILRG-ADOMEBDSSA-N 2 0 367.896 3.106 20 0 FGADRP CC[C@@H](CCC(F)(F)F)[NH2+]Cc1ccc(N2CC[NH+](CC)CC2)nc1 ZINC000872023454 735577242 /nfs/dbraw/zinc/57/72/42/735577242.db2.gz RYXDSLQVQDYHSI-INIZCTEOSA-N 2 0 358.452 3.434 20 0 FGADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](c2cccc(Br)c2)[C@@H]2CCOC2)C1 ZINC000872025760 735578042 /nfs/dbraw/zinc/57/80/42/735578042.db2.gz SPABTKCTRWWJGC-KYJSFNMBSA-N 2 0 367.331 3.458 20 0 FGADRP CN1CC[NH+](CCCC[NH2+]Cc2cccc(Cl)c2Br)CC1 ZINC000873012121 735709722 /nfs/dbraw/zinc/70/97/22/735709722.db2.gz NGPXXLSRXGKVNO-UHFFFAOYSA-N 2 0 374.754 3.220 20 0 FGADRP COCCOCC[N@H+](Cc1cc2c(s1)CC[NH2+]C2)Cc1ccccc1 ZINC000873207057 735737849 /nfs/dbraw/zinc/73/78/49/735737849.db2.gz IIOOHWSOASGBKH-UHFFFAOYSA-N 2 0 360.523 3.059 20 0 FGADRP Cc1nn(C)c2nc(Cl)c(C[NH2+][C@H]3CCCCC34CC[NH2+]CC4)cc12 ZINC000873233059 735741480 /nfs/dbraw/zinc/74/14/80/735741480.db2.gz YEMDUNOXNSWUJR-INIZCTEOSA-N 2 0 361.921 3.332 20 0 FGADRP Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@@H]2[NH2+][C@@H](C)C2CC[NH2+]CC2)cc1 ZINC000873273224 735744972 /nfs/dbraw/zinc/74/49/72/735744972.db2.gz ZJIMNXPDIHEUHC-FFZOFVMBSA-N 2 0 364.555 3.058 20 0 FGADRP C[C@H]([NH3+])c1ccc(CNC(=O)[C@@H]([NH3+])c2cccc(C(F)(F)F)c2)cc1 ZINC000876539263 736111196 /nfs/dbraw/zinc/11/11/96/736111196.db2.gz AUCGNJVKBOIHDR-ZBEGNZNMSA-N 2 0 351.372 3.041 20 0 FGADRP Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)/C=C\[C@H]1CCC[NH2+]C1 ZINC000876743790 736139183 /nfs/dbraw/zinc/13/91/83/736139183.db2.gz MEFPAUIDMIKMIA-JTGQJZMRSA-N 2 0 359.539 3.038 20 0 FGADRP C[NH+](C)CCN1CCC([NH2+]Cc2cc3nc(Cl)ccc3s2)CC1 ZINC000876925924 736163381 /nfs/dbraw/zinc/16/33/81/736163381.db2.gz HTPXFMGGJKOUDW-UHFFFAOYSA-N 2 0 352.935 3.065 20 0 FGADRP O=C(/C=C\[C@H]1CCC[NH2+]C1)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000876948791 736166992 /nfs/dbraw/zinc/16/69/92/736166992.db2.gz PEEJLWICFIYDNZ-OCKNTNFFSA-N 2 0 359.539 3.369 20 0 FGADRP C[NH+](C)CCCC[NH2+][C@@H]1CC[C@H]2[C@H](CCCN2C(=O)OC(C)(C)C)C1 ZINC000876989407 736171436 /nfs/dbraw/zinc/17/14/36/736171436.db2.gz YDBWJLZYECIIQJ-KURKYZTESA-N 2 0 353.551 3.486 20 0 FGADRP C[S@@](=O)CCC[NH2+]C[C@@]1(C(C)(C)C)CC[N@H+](Cc2ccccc2)C1 ZINC000877051993 736181208 /nfs/dbraw/zinc/18/12/08/736181208.db2.gz QCRVPECTDCKQMU-GBXCKJPGSA-N 2 0 350.572 3.283 20 0 FGADRP CC1CC[NH+](C[C@@H]2CCC[N@H+](C[C@@H]3CC4(CO3)CCOCC4)C2)CC1 ZINC000878018393 736758942 /nfs/dbraw/zinc/75/89/42/736758942.db2.gz VTKNJJMWHWEAMZ-PMACEKPBSA-N 2 0 350.547 3.016 20 0 FGADRP C[C@H]([NH2+]C[C@H]1CCC2(CCOCC2)CO1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000878411586 736828088 /nfs/dbraw/zinc/82/80/88/736828088.db2.gz LVMDSQILNXDVMU-NLWGTHIKSA-N 2 0 350.547 3.205 20 0 FGADRP CC[NH+]1CCC(N2CCC[N@H+](C[C@H]3CC(C)(C)OC3(C)C)CC2)CC1 ZINC000878721227 736911186 /nfs/dbraw/zinc/91/11/86/736911186.db2.gz FLXDEPDFFPJPHQ-GOSISDBHSA-N 2 0 351.579 3.072 20 0 FGADRP C[NH+]1CCC2(CC1)CC[NH+](C[C@H]1CCN(C(=O)OC(C)(C)C)C1)CC2 ZINC000879247788 736972227 /nfs/dbraw/zinc/97/22/27/736972227.db2.gz HUORILYQMBOSKG-QGZVFWFLSA-N 2 0 351.535 3.051 20 0 FGADRP OC1(CC[NH2+]Cc2cccnc2Cl)CC[NH+](Cc2ccccc2)CC1 ZINC000883343076 737555801 /nfs/dbraw/zinc/55/58/01/737555801.db2.gz ZCJITZABHXHDQM-UHFFFAOYSA-N 2 0 359.901 3.242 20 0 FGADRP CCS(=O)(=O)c1ccc(C[NH2+]C2CCC(C)([NH+]3CCCC3)CC2)cc1 ZINC000886580245 739271547 /nfs/dbraw/zinc/27/15/47/739271547.db2.gz AWDHVDGEDLXWPT-UHFFFAOYSA-N 2 0 364.555 3.367 20 0 FGADRP CCC1([NH+]2CCC2)CC[NH+](CC[C@H]2Sc3ccccc3NC2=O)CC1 ZINC000886717761 739289433 /nfs/dbraw/zinc/28/94/33/739289433.db2.gz HVSABDTUNOKUSY-GOSISDBHSA-N 2 0 359.539 3.440 20 0 FGADRP C(CC[NH+]1CC[C@@H]([C@@H]2CCCO2)C1)CC[N@@H+]1CC[C@H]([C@@H]2CCCO2)C1 ZINC000886821425 739306238 /nfs/dbraw/zinc/30/62/38/739306238.db2.gz BXNWIMKDBQGJDK-WOZUAGRISA-N 2 0 350.547 3.159 20 0 FGADRP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]CCC[N@H+](C)C(C)C)C[C@H]1C(F)(F)F ZINC000892516872 740010998 /nfs/dbraw/zinc/01/09/98/740010998.db2.gz QBKPOVNMTUJXFN-RBSFLKMASA-N 2 0 352.441 3.217 20 0 FGADRP CCOC(=O)c1ncc(C[NH2+]CCCC[NH+]2C[C@H](C)C[C@@H](C)C2)s1 ZINC000892587565 740019811 /nfs/dbraw/zinc/01/98/11/740019811.db2.gz AJUOFLJQCUEISQ-HUUCEWRRSA-N 2 0 353.532 3.168 20 0 FGADRP C[C@H]1CCC[N@H+](CCCC[NH2+]C[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)C1 ZINC000892584495 740019852 /nfs/dbraw/zinc/01/98/52/740019852.db2.gz KXIPLUOAMNSSQT-OKZBNKHCSA-N 2 0 353.551 3.391 20 0 FGADRP COC(=O)c1ccc(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)c(C(F)(F)F)c1 ZINC000894174078 742248901 /nfs/dbraw/zinc/24/89/01/742248901.db2.gz TZVSILHYKGKCNW-GFCCVEGCSA-N 2 0 356.388 3.066 20 0 FGADRP FC(F)(F)Oc1ccc2c(NCC[N@@H+]3CCCOCC3)cc[nH+]c2c1 ZINC000899874662 743021616 /nfs/dbraw/zinc/02/16/16/743021616.db2.gz HWPYKTPIZHUFIF-UHFFFAOYSA-N 2 0 355.360 3.268 20 0 FGADRP O=C(NCC1CC[NH+](Cc2cccs2)CC1)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC000900435545 743112194 /nfs/dbraw/zinc/11/21/94/743112194.db2.gz PKNBIYCNCFPYPY-IEBWSBKVSA-N 2 0 361.555 3.093 20 0 FGADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H](c1ccccc1F)C1CCOCC1 ZINC000903111168 743805880 /nfs/dbraw/zinc/80/58/80/743805880.db2.gz USZKABMCICJUGT-FXAWDEMLSA-N 2 0 352.494 3.240 20 0 FGADRP FC1(F)[C@@H](C[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)[C@@H]1c1ccccc1 ZINC000903474269 743853997 /nfs/dbraw/zinc/85/39/97/743853997.db2.gz KNNJRUNFDCHQRX-FHWLQOOXSA-N 2 0 350.453 3.126 20 0 FGADRP COC(=O)c1ccc(-c2nc(C[N@@H+]3C[C@@H](C)[C@H](CC[NH3+])C3)cs2)cc1 ZINC000903500226 743856320 /nfs/dbraw/zinc/85/63/20/743856320.db2.gz WVFWQDOWEYATKA-CZUORRHYSA-N 2 0 359.495 3.013 20 0 FGADRP COc1ccc(C2(C[NH2+]C[C@H]([NH3+])CC(F)F)CCCCC2)cc1OC ZINC000903922535 743897710 /nfs/dbraw/zinc/89/77/10/743897710.db2.gz YXYJTKPWKTYPIO-OAHLLOKOSA-N 2 0 356.457 3.478 20 0 FGADRP C[C@H](C[NH2+]Cc1cnnn1[C@H]1CCC[NH2+]C1)c1c(Cl)cccc1Cl ZINC000903924462 743898454 /nfs/dbraw/zinc/89/84/54/743898454.db2.gz DHEVEIBCHOJRER-OLZOCXBDSA-N 2 0 368.312 3.403 20 0 FGADRP O=C(Nc1ccc2c(c1)C[N@@H+](CC1C[C@H]3CC[C@@H](C1)[NH2+]3)C2)C(F)(F)F ZINC000903933610 743900284 /nfs/dbraw/zinc/90/02/84/743900284.db2.gz SYLWXPKTCOUIGE-PHTAMDTFSA-N 2 0 353.388 3.034 20 0 FGADRP CC1([NH+]2CCC2)CCC([NH2+]C[C@H](O)COc2ccc(Cl)cc2)CC1 ZINC000905603380 744035715 /nfs/dbraw/zinc/03/57/15/744035715.db2.gz ZMYIUSDSIGQLLB-HFCFLWKCSA-N 2 0 352.906 3.076 20 0 FGADRP Cc1cc(C[NH+]2CC[C@@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C(C)(C)C2)cs1 ZINC000940756949 762159617 /nfs/dbraw/zinc/15/96/17/762159617.db2.gz NNUOFPLKLHVQAE-KBAYOESNSA-N 2 0 363.571 3.113 20 0 FGADRP C[C@H]([NH3+])c1ccc(NC(=O)C[C@H]([NH3+])Cc2cc(F)c(F)cc2F)cc1 ZINC000911849202 757221698 /nfs/dbraw/zinc/22/16/98/757221698.db2.gz YPVTZXLCFUEFRN-GXFFZTMASA-N 2 0 351.372 3.022 20 0 FGADRP CSCc1ccc(C[NH2+]Cc2ccccc2C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000921979053 758832516 /nfs/dbraw/zinc/83/25/16/758832516.db2.gz BPNOKZVXROKQET-NRFANRHFSA-N 2 0 356.535 3.406 20 0 FGADRP CC(C)[C@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1ccc(CSC(F)F)o1)C2 ZINC000922386759 758909341 /nfs/dbraw/zinc/90/93/41/758909341.db2.gz IHGWDKNHIQNPEE-YFHUEUNASA-N 2 0 374.497 3.305 20 0 FGADRP CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]Cc3cc(F)c(F)c(F)c3)C2)[C@@H]1C(C)C ZINC000922395340 758913816 /nfs/dbraw/zinc/91/38/16/758913816.db2.gz VMRVIQOTTLAANZ-ZAWLATJESA-N 2 0 356.432 3.063 20 0 FGADRP CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]Cc3cnc(CC(C)C)s3)C2)[C@@H]1C(C)C ZINC000922393944 758913912 /nfs/dbraw/zinc/91/39/12/758913912.db2.gz NZUFPCJHLQTGJL-IZBJGVDFSA-N 2 0 365.587 3.301 20 0 FGADRP C[C@@H]1C[N@H+](Cc2nc(-c3cccc(C(F)(F)F)c3)no2)CC[C@H]1C[NH3+] ZINC000923496374 759132460 /nfs/dbraw/zinc/13/24/60/759132460.db2.gz BPBWOQLDKYCFLX-YPMHNXCESA-N 2 0 354.376 3.172 20 0 FGADRP C[C@@H](C(=O)N(c1nccs1)C1CCCCC1)[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923501936 759133549 /nfs/dbraw/zinc/13/35/49/759133549.db2.gz XGUQEUOWDMVDER-PMPSAXMXSA-N 2 0 364.559 3.114 20 0 FGADRP C[C@@H]1CCC[N@H+](CCCC[NH2+]C2CC(CNC(=O)OC(C)(C)C)C2)C1 ZINC000924688997 759372315 /nfs/dbraw/zinc/37/23/15/759372315.db2.gz WDVIETMTJWTWRQ-WWDZGPRUSA-N 2 0 353.551 3.391 20 0 FGADRP C[N@@H+]1CCC[C@H](C[NH2+]C2CC3(C2)CCN(C(=O)OC(C)(C)C)CC3)C1 ZINC000925012944 759431330 /nfs/dbraw/zinc/43/13/30/759431330.db2.gz XZHOPQKFRUWQBH-MRXNPFEDSA-N 2 0 351.535 3.098 20 0 FGADRP CSc1nnc(CCC[NH2+][C@H]2C[C@H]([NH3+])CC(C)(C)C2)n1CC(C)C ZINC000925488950 759496288 /nfs/dbraw/zinc/49/62/88/759496288.db2.gz WMPJAGSBUHISNS-GJZGRUSLSA-N 2 0 353.580 3.084 20 0 FGADRP [NH3+]CCC[C@H]([NH2+]C[C@H](c1cccs1)N1CCOCC1)c1ccccc1 ZINC000925505966 759497507 /nfs/dbraw/zinc/49/75/07/759497507.db2.gz QHVUTOYLDSHAFT-RBUKOAKNSA-N 2 0 359.539 3.191 20 0 FGADRP [NH3+][C@@H]1C[C@H]2COC[C@@H](C1)[C@@H]2[NH2+]Cc1cc2cc(Br)ccc2o1 ZINC000925760504 759533313 /nfs/dbraw/zinc/53/33/13/759533313.db2.gz XCPJYWQJPNIHMA-JNJUYYLRSA-N 2 0 365.271 3.037 20 0 FGADRP C(C[C@H]1CCC2(CCOCC2)CO1)[NH2+][C@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000925773670 759534039 /nfs/dbraw/zinc/53/40/39/759534039.db2.gz ODGMQVZNTKTWAM-WCIQWLHISA-N 2 0 350.547 3.253 20 0 FGADRP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]C[C@@H]2C[NH2+]CCC2(F)F)c2ccccc21 ZINC000925777853 759536612 /nfs/dbraw/zinc/53/66/12/759536612.db2.gz QZKJAGRXZZHMEA-IAOVAPTHSA-N 2 0 352.425 3.003 20 0 FGADRP [NH3+]C1CCN(CC[NH2+][C@H]2CC[C@@H](c3ccc(C(F)(F)F)cc3)C2)CC1 ZINC000925816015 759550597 /nfs/dbraw/zinc/55/05/97/759550597.db2.gz CAXSXSPYPGNYKC-QAPCUYQASA-N 2 0 355.448 3.354 20 0 FGADRP O=C1O[C@H](C[NH2+][C@H]2CC[C@H](c3ccc(Cl)cc3)C2)CC12CC[NH2+]CC2 ZINC000925849253 759557149 /nfs/dbraw/zinc/55/71/49/759557149.db2.gz NPARYMOKAZIRGV-SZMVWBNQSA-N 2 0 362.901 3.251 20 0 FGADRP C[C@@H]([NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ccc(Cl)c(Cl)c1 ZINC000925855503 759560759 /nfs/dbraw/zinc/56/07/59/759560759.db2.gz OGMRBZCKNPZCBT-YPMHNXCESA-N 2 0 357.281 3.329 20 0 FGADRP CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+][C@H]3CCc4c3nccc4Cl)C2)[C@H]1C(C)C ZINC000926881106 759837149 /nfs/dbraw/zinc/83/71/49/759837149.db2.gz SPHUJNBLWXGACN-PNDFQMOFSA-N 2 0 363.933 3.182 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C2CCC(C)([NH+]3CCC3)CC2)[C@@H](C)C1 ZINC000927039504 759880944 /nfs/dbraw/zinc/88/09/44/759880944.db2.gz UPRIPBYDIBUVFQ-QEMIJWRASA-N 3 0 351.579 3.120 20 0 FGADRP C[N@@H+]1CCC[C@H]2C[NH+](C[C@@H]3CC[C@H](NC(=O)OC(C)(C)C)C3)CC[C@@H]21 ZINC000929848036 760469919 /nfs/dbraw/zinc/46/99/19/760469919.db2.gz OWHPNQSHPYIRBY-OWSLCNJRSA-N 2 0 351.535 3.096 20 0 FGADRP C[N@@H+]1CC[C@@H]2C[NH+](CCC(=O)Nc3c(Cl)cccc3Cl)C[C@@H]2C1 ZINC000931441840 760862990 /nfs/dbraw/zinc/86/29/90/760862990.db2.gz ZOMGCMPRXFQGQI-OLZOCXBDSA-N 2 0 356.297 3.206 20 0 FGADRP C[C@@H]1[C@H](C(=O)N2CCC[C@H]2C[NH+](C)Cc2cccc(Cl)c2)CC[N@@H+]1C ZINC000960642571 762736602 /nfs/dbraw/zinc/73/66/02/762736602.db2.gz QZJQIWXDQNVAJA-AYOQOUSVSA-N 2 0 363.933 3.103 20 0 FGADRP CC[C@@H]1[C@@H](C(=O)N2CCC(C[NH2+]Cc3csc(C)c3)CC2)CC[N@@H+]1C ZINC000997793719 765083960 /nfs/dbraw/zinc/08/39/60/765083960.db2.gz UUSMEAIRTVQDFH-RBUKOAKNSA-N 2 0 363.571 3.115 20 0 FGADRP C[C@H](c1ccccc1Cl)[NH+]1CCC(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001002859688 765348622 /nfs/dbraw/zinc/34/86/22/765348622.db2.gz DDZQEOFUOBZLKZ-IIDMSEBBSA-N 2 0 363.933 3.322 20 0 FGADRP Cc1cc(C[NH+](C)C[C@@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cs1 ZINC001017132550 765830634 /nfs/dbraw/zinc/83/06/34/765830634.db2.gz LGIQWHIYDYNBDK-ZIFCJYIRSA-N 2 0 363.571 3.067 20 0 FGADRP CC[C@@H]1[C@@H](C(=O)N2CCC([C@@H](C)[NH2+]Cc3ccsc3)CC2)CC[N@@H+]1C ZINC001029101924 766142039 /nfs/dbraw/zinc/14/20/39/766142039.db2.gz QZCUNMMMLKSQCS-AYOQOUSVSA-N 2 0 363.571 3.195 20 0 FGADRP C[C@@H]1[C@H](C(=O)N[C@H]2CC[C@H]([NH2+]Cc3ccc(Cl)s3)CC2)CC[N@@H+]1C ZINC001034647583 766243631 /nfs/dbraw/zinc/24/36/31/766243631.db2.gz MNKNOEOGAJYCOX-IXYNUQLISA-N 2 0 369.962 3.259 20 0 FGADRP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3CC[C@@H](C2)[NH+]3Cc2ccsc2)CC[N@@H+]1C ZINC001045781341 766572830 /nfs/dbraw/zinc/57/28/30/766572830.db2.gz HKSMGBYMFWYHFU-YDZRNGNQSA-N 2 0 361.555 3.044 20 0 FGADRP Cc1cccc(Cl)c1C[NH+]1CC[C@](C)(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001046329807 766584433 /nfs/dbraw/zinc/58/44/33/766584433.db2.gz RZCSLKPIEROARP-QINHECLXSA-N 2 0 363.933 3.069 20 0 FGADRP C[C@@H]1[C@H](C(=O)N2CCC[C@@H](C3CC[NH+](C/C=C\Cl)CC3)C2)CC[N@@H+]1C ZINC001047243191 766632468 /nfs/dbraw/zinc/63/24/68/766632468.db2.gz XLTMUDFBSUNZER-PIDDPAKVSA-N 2 0 367.965 3.030 20 0 FGADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H]1CCc2cc(Br)ccc21 ZINC000274617267 257374309 /nfs/dbraw/zinc/37/43/09/257374309.db2.gz LNKGDTAMPJCTGS-RDTXWAMCSA-N 2 0 366.347 3.052 20 0 FGADRP C[C@H](C[NH2+][C@H](C)[C@@H]1C[C@H]1c1ccc(Cl)s1)CN1CC[NH+](C)CC1 ZINC000376079929 257441719 /nfs/dbraw/zinc/44/17/19/257441719.db2.gz IDEROIOWHCGVGT-LVQVYYBASA-N 2 0 355.979 3.367 20 0 FGADRP CC1CC[NH+](Cc2ccc(CNC(=O)NCC3(C)CC[NH2+]CC3)cc2)CC1 ZINC000570784347 505579826 /nfs/dbraw/zinc/57/98/26/505579826.db2.gz VIUVGRGXQFAWED-UHFFFAOYSA-N 2 0 372.557 3.107 20 0 FGADRP CC[C@H](C)[N@H+](C)CCNC(=O)NC[C@@H]1CCCC[NH+](Cc2ccccc2)C1 ZINC000573651575 505587609 /nfs/dbraw/zinc/58/76/09/505587609.db2.gz KPPBWUZYQLRUJQ-FPOVZHCZSA-N 2 0 374.573 3.318 20 0 FGADRP CC[C@@H](C(=O)NC[C@@H](C[NH+](C)C)c1ccc(Cl)cc1)[NH+](CC)CC ZINC000573716063 505602552 /nfs/dbraw/zinc/60/25/52/505602552.db2.gz OCORFYIXGLRADH-WMZOPIPTSA-N 2 0 353.938 3.222 20 0 FGADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC000579746313 505611673 /nfs/dbraw/zinc/61/16/73/505611673.db2.gz OCLJPIBLZNSBMI-PGRDOPGGSA-N 2 0 365.521 3.041 20 0 FGADRP COc1c[nH+]ccc1N1CCN(Cc2[nH+]c(C(C)C)n3ccccc23)CC1 ZINC000570973274 505623567 /nfs/dbraw/zinc/62/35/67/505623567.db2.gz IEPARTJQOKKRDD-UHFFFAOYSA-N 2 0 365.481 3.184 20 0 FGADRP Cc1ncc2c(n1)CC[C@H]([NH2+][C@@H]1CCN(Cc3ccccc3)C3(CC3)C1)C2 ZINC000579836231 505630069 /nfs/dbraw/zinc/63/00/69/505630069.db2.gz GCNYOUIIYGKHGW-LEWJYISDSA-N 2 0 362.521 3.429 20 0 FGADRP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CC[C@@H](C(=O)N2CCCC2)C1 ZINC000571007027 505631188 /nfs/dbraw/zinc/63/11/88/505631188.db2.gz UQBGKMVKMGWUPT-HXUWFJFHSA-N 2 0 357.542 3.089 20 0 FGADRP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@@H]2C[NH2+]Cc3ccccc32)CC1 ZINC000573840014 505633098 /nfs/dbraw/zinc/63/30/98/505633098.db2.gz NGVHVKZEPSTDHT-VGOFRKELSA-N 2 0 363.505 3.215 20 0 FGADRP Cc1cc(C)c(C[NH+]2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)c(C)c1 ZINC000573846238 505634871 /nfs/dbraw/zinc/63/48/71/505634871.db2.gz YCJATIIOEAMDBJ-UHFFFAOYSA-N 2 0 371.569 3.426 20 0 FGADRP C[C@@H]([NH2+]C[C@@H]1CC[NH2+][C@H](C)C1)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000573936684 505655558 /nfs/dbraw/zinc/65/55/58/505655558.db2.gz LYZIYFFWOLUWIE-BRWVUGGUSA-N 2 0 352.482 3.373 20 0 FGADRP CN1CC[NH+](CCCC[NH2+][C@@H]2CCc3sc(Br)cc32)CC1 ZINC000577129117 505669636 /nfs/dbraw/zinc/66/96/36/505669636.db2.gz VKMUNDJNGGAMQC-CQSZACIVSA-N 2 0 372.376 3.115 20 0 FGADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]Cc1cc(OC)c(O)c(OC)c1 ZINC000574001732 505670309 /nfs/dbraw/zinc/67/03/09/505670309.db2.gz KUKZVGAPKMFIDZ-IRXDYDNUSA-N 2 0 350.503 3.400 20 0 FGADRP O=C(CC[NH+]1CCC(C[NH+]2CCCC2)CC1)N[C@@H]1CCCc2ccccc21 ZINC000047972985 493767965 /nfs/dbraw/zinc/76/79/65/493767965.db2.gz NKILCAXTWXBURK-JOCHJYFZSA-N 2 0 369.553 3.378 20 0 FGADRP CC(C)[NH+]1CCC(NC(=O)[C@@H]2CCC[N@H+](Cc3cccc(F)c3)C2)CC1 ZINC000068200170 493777393 /nfs/dbraw/zinc/77/73/93/493777393.db2.gz LJHLLUSIWITZMV-GOSISDBHSA-N 2 0 361.505 3.027 20 0 FGADRP CC(=O)c1ccc(OC[C@@H](O)C[NH2+]C2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000568382080 505680919 /nfs/dbraw/zinc/68/09/19/505680919.db2.gz NLAFXKDFOZLYCE-NRFANRHFSA-N 2 0 374.525 3.016 20 0 FGADRP CN(C(=O)C[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1)c1ccccc1 ZINC000057843682 493806965 /nfs/dbraw/zinc/80/69/65/493806965.db2.gz LSQWBTXCMZBFDW-UHFFFAOYSA-N 2 0 365.521 3.493 20 0 FGADRP CCOc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(C[NH+](CC)CC)CC2)cc1 ZINC000057847385 493808697 /nfs/dbraw/zinc/80/86/97/493808697.db2.gz KKNRJUIZCMQUPR-QGZVFWFLSA-N 2 0 361.530 3.466 20 0 FGADRP C[N@@H+](Cc1cc2ccccc2[nH]c1=O)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076109827 493824485 /nfs/dbraw/zinc/82/44/85/493824485.db2.gz MVRQOGKMISZCTP-IBGZPJMESA-N 2 0 361.489 3.482 20 0 FGADRP C[N@H+](C[C@H](O)COc1ccc(F)cc1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076109782 493825041 /nfs/dbraw/zinc/82/50/41/493825041.db2.gz NSCDVPQRLVXZPM-CTNGQTDRSA-N 2 0 372.484 3.019 20 0 FGADRP Cc1ccc(C[NH2+]Cc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)cc1F ZINC000076331125 493866621 /nfs/dbraw/zinc/86/66/21/493866621.db2.gz TVNYDMYUVQKIPB-UHFFFAOYSA-N 2 0 369.484 3.250 20 0 FGADRP C[C@@H](CNC(=O)NC1CC[NH+](CC2CCCC2)CC1)[N@@H+]1CCCC[C@@H]1C ZINC000068887155 493889662 /nfs/dbraw/zinc/88/96/62/493889662.db2.gz SGKVCCIUQJIBEK-ROUUACIJSA-N 2 0 364.578 3.203 20 0 FGADRP C[NH+](C)[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1)c1cccc(F)c1 ZINC000060580665 493946303 /nfs/dbraw/zinc/94/63/03/493946303.db2.gz DHIBBQNLZCFYQO-LEWJYISDSA-N 2 0 369.484 3.209 20 0 FGADRP CC[NH+](CC)CCNC(=O)NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000060894185 493957706 /nfs/dbraw/zinc/95/77/06/493957706.db2.gz PXHUUFLBIXPFJE-GOSISDBHSA-N 2 0 360.546 3.060 20 0 FGADRP CC(C)[N@@H+]1CCCN(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000069732949 494004225 /nfs/dbraw/zinc/00/42/25/494004225.db2.gz AASPIMZOOKWPPU-UHFFFAOYSA-N 2 0 372.557 3.298 20 0 FGADRP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@H]2C(C)C)CC1 ZINC000063619116 494070955 /nfs/dbraw/zinc/07/09/55/494070955.db2.gz BISZOFXGQYYJPP-OAQYLSRUSA-N 2 0 357.542 3.196 20 0 FGADRP CC[NH+](CC)CCCNC(=O)NC[C@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC000064237666 494108601 /nfs/dbraw/zinc/10/86/01/494108601.db2.gz MFQKKKYGXTWWMS-HXUWFJFHSA-N 2 0 360.546 3.163 20 0 FGADRP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)N2CC[NH+](C3CCCC3)CC2)C1 ZINC000071935823 494110285 /nfs/dbraw/zinc/11/02/85/494110285.db2.gz RPSJKOKEQKSDLC-RTBURBONSA-N 2 0 364.578 3.014 20 0 FGADRP C[C@H](NC(=O)C[NH+]1CCC(CC[NH+](C)C)CC1)c1ccc2c(c1)CCCC2 ZINC000071997671 494114415 /nfs/dbraw/zinc/11/44/15/494114415.db2.gz IDTKYFWKHXNDOX-SFHVURJKSA-N 2 0 371.569 3.406 20 0 FGADRP c1c(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)onc1-c1ccccc1 ZINC000064344379 494115316 /nfs/dbraw/zinc/11/53/16/494115316.db2.gz XWBPDVJZRGXSJQ-UHFFFAOYSA-N 2 0 355.482 3.276 20 0 FGADRP C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000085388352 494119293 /nfs/dbraw/zinc/11/92/93/494119293.db2.gz OWKCAFFNQPLXPC-RXVVDRJESA-N 2 0 372.557 3.154 20 0 FGADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N(C)[C@H]1CC[NH+](C)C[C@@H]1C ZINC000085389954 494119419 /nfs/dbraw/zinc/11/94/19/494119419.db2.gz IOCZNUSWXBBTRK-PXNSSMCTSA-N 2 0 360.546 3.008 20 0 FGADRP C[C@H](CNC(=O)N1CC[NH+](CC2CCCCC2)CC1)C[NH+]1CCCCC1 ZINC000065459699 494199291 /nfs/dbraw/zinc/19/92/91/494199291.db2.gz YIMCERQWMNQDTE-LJQANCHMSA-N 2 0 364.578 3.016 20 0 FGADRP C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000065992632 494266765 /nfs/dbraw/zinc/26/67/65/494266765.db2.gz IFPRFIHQLZRTNN-RBUKOAKNSA-N 2 0 357.542 3.135 20 0 FGADRP CC[N@H+](C)C[C@H]1CC[NH+](CCC(=O)Nc2cccc(Br)c2)C1 ZINC000072860071 494268549 /nfs/dbraw/zinc/26/85/49/494268549.db2.gz WDNLSUNIGTVVHE-CQSZACIVSA-N 2 0 368.319 3.051 20 0 FGADRP CC[N@H+](C)C[C@@H]1CC[NH+](CCC(=O)Nc2ccccc2Br)C1 ZINC000072861041 494269180 /nfs/dbraw/zinc/26/91/80/494269180.db2.gz DKIDOZWWHYCDIR-AWEZNQCLSA-N 2 0 368.319 3.051 20 0 FGADRP CCC(CC)[C@@H](CNC(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1)[NH+]1CCCC1 ZINC000078524410 494313347 /nfs/dbraw/zinc/31/33/47/494313347.db2.gz NASRNYFDTGYXDJ-UYAOXDASSA-N 2 0 366.594 3.307 20 0 FGADRP C[NH+](C)Cc1cccc(NC(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)c1 ZINC000044292037 494347462 /nfs/dbraw/zinc/34/74/62/494347462.db2.gz UAEUCSDTTWTQCC-LJQANCHMSA-N 2 0 358.461 3.312 20 0 FGADRP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000073628287 494404115 /nfs/dbraw/zinc/40/41/15/494404115.db2.gz MABRBKLUDOJNHX-NRFANRHFSA-N 2 0 372.557 3.298 20 0 FGADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)NCCCC[NH+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000073677696 494412343 /nfs/dbraw/zinc/41/23/43/494412343.db2.gz PUABNNMMRCUNLF-HSALFYBXSA-N 2 0 366.594 3.118 20 0 FGADRP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000079197803 494418155 /nfs/dbraw/zinc/41/81/55/494418155.db2.gz VMWOWHGOWJRTIP-IRXDYDNUSA-N 2 0 366.575 3.305 20 0 FGADRP CC[C@@H](NC(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@@H+]1CC)c1cccs1 ZINC000073795129 494430018 /nfs/dbraw/zinc/43/00/18/494430018.db2.gz IPAVSIAYXVNTDI-DLBZAZTESA-N 2 0 366.575 3.257 20 0 FGADRP C[C@@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)C(C)(C)c1ccccc1 ZINC000090038603 494431368 /nfs/dbraw/zinc/43/13/68/494431368.db2.gz SMESEZBRGGTRSB-GOSISDBHSA-N 2 0 367.537 3.434 20 0 FGADRP CC(C)[NH+]1CCC(NC(=O)N(CCCc2ccccc2)CC[NH+](C)C)CC1 ZINC000066983264 494451377 /nfs/dbraw/zinc/45/13/77/494451377.db2.gz CKXNXUDKDITMAU-UHFFFAOYSA-N 2 0 374.573 3.065 20 0 FGADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)CC(=O)Nc2cccnc2Cl)C1 ZINC000090586109 494484322 /nfs/dbraw/zinc/48/43/22/494484322.db2.gz MKRGTYHINPVOSF-JKSUJKDBSA-N 2 0 366.937 3.410 20 0 FGADRP CC(C)[N@H+](C)CC1CCN(C(=O)NCCC[NH+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000079610318 494492487 /nfs/dbraw/zinc/49/24/87/494492487.db2.gz VYEPLRMAIZAUMI-KDURUIRLSA-N 2 0 366.594 3.116 20 0 FGADRP CCCN(Cc1ccc(C)cc1)C(=O)C[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000056525235 494520906 /nfs/dbraw/zinc/52/09/06/494520906.db2.gz TYLLSBWNQOBJAF-UHFFFAOYSA-N 2 0 359.558 3.397 20 0 FGADRP C[C@H](C[NH2+][C@@H](C)Cc1ccc(F)cc1Br)CN1CCOCC1 ZINC000577437471 505726444 /nfs/dbraw/zinc/72/64/44/505726444.db2.gz CWIYQAAWRXBOOG-KGLIPLIRSA-N 2 0 373.310 3.077 20 0 FGADRP C[C@@H](CNC(=O)c1oc2ccccc2c1C[NH+](C)C)[N@@H+]1CCCC[C@@H]1C ZINC000074470493 494544019 /nfs/dbraw/zinc/54/40/19/494544019.db2.gz MQEJONUNXYKZGD-HOTGVXAUSA-N 2 0 357.498 3.487 20 0 FGADRP O=C(Nc1ccc(CC[NH+]2CCCCC2)cc1)N1CC[NH+](CC2CC2)CC1 ZINC000056763996 494558853 /nfs/dbraw/zinc/55/88/53/494558853.db2.gz DNXCWIGSGQFPTB-UHFFFAOYSA-N 2 0 370.541 3.275 20 0 FGADRP C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)N1CCC[NH+](Cc2ccccc2)CC1 ZINC000056786427 494562683 /nfs/dbraw/zinc/56/26/83/494562683.db2.gz SBNPLMSDPSUKCB-VQTJNVASSA-N 2 0 372.557 3.024 20 0 FGADRP C[NH+](C)CCC1CCN(C(=O)NCc2ccccc2C[NH+]2CCCC2)CC1 ZINC000056813609 494568147 /nfs/dbraw/zinc/56/81/47/494568147.db2.gz BJZQUVLIVPLCMM-UHFFFAOYSA-N 2 0 372.557 3.156 20 0 FGADRP CC[NH+](CC)Cc1ccc(CNC(=O)N2CCC(CC[NH+](C)C)CC2)cc1 ZINC000056812985 494568231 /nfs/dbraw/zinc/56/82/31/494568231.db2.gz BSFAZEUVVXOUCD-UHFFFAOYSA-N 2 0 374.573 3.402 20 0 FGADRP C[NH+](Cc1ccc(C[N@H+](C)C[C@@H]2CCCOC2)cc1)C[C@@H]1CCCOC1 ZINC000107688595 494584294 /nfs/dbraw/zinc/58/42/94/494584294.db2.gz MTWWFCJCTMITPD-VXKWHMMOSA-N 2 0 360.542 3.403 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)NC[C@H](c1ccccc1)[NH+](C)C)c1ccco1 ZINC000067709609 494621164 /nfs/dbraw/zinc/62/11/64/494621164.db2.gz LZIKHVLNHLSZBC-MOPGFXCFSA-N 2 0 372.513 3.265 20 0 FGADRP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000115789937 494623816 /nfs/dbraw/zinc/62/38/16/494623816.db2.gz ZYAFQMTZGQVVAO-NRFANRHFSA-N 2 0 372.557 3.156 20 0 FGADRP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)N1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000074852319 494624175 /nfs/dbraw/zinc/62/41/75/494624175.db2.gz OXMLRBHRQNJZOQ-AZUAARDMSA-N 2 0 364.578 3.014 20 0 FGADRP CC1CCC(C[NH+]2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)CC1 ZINC000092427216 494625493 /nfs/dbraw/zinc/62/54/93/494625493.db2.gz LZUVSAZWLCJVSG-UHFFFAOYSA-N 2 0 351.579 3.229 20 0 FGADRP CC[N@H+](C)Cc1cccc(CNC(=O)N2CC[C@H](C[NH+](C)CC3CC3)C2)c1 ZINC000074868807 494630522 /nfs/dbraw/zinc/63/05/22/494630522.db2.gz LEARJLVFKGHMBZ-OAQYLSRUSA-N 2 0 372.557 3.012 20 0 FGADRP CC(C)[C@H](CNC(=O)N1CCC(CC[NH+](C)C)CC1)[NH+]1CCC(C)CC1 ZINC000126258993 494689986 /nfs/dbraw/zinc/68/99/86/494689986.db2.gz VRSSCZJJGINMNP-FQEVSTJZSA-N 2 0 366.594 3.116 20 0 FGADRP C[N@@H+]1CC[C@H]([NH2+]CCc2nc(-c3ccc(Cl)cc3)no2)[C@H]2CCC[C@@H]21 ZINC000580340623 505736581 /nfs/dbraw/zinc/73/65/81/505736581.db2.gz VLJPTCBURZVZDZ-IKGGRYGDSA-N 2 0 360.889 3.395 20 0 FGADRP C[C@H]1CCCC[C@H]1CC(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000577483182 505736839 /nfs/dbraw/zinc/73/68/39/505736839.db2.gz VIIMYPFBKZYMJP-ICSRJNTNSA-N 2 0 357.542 3.313 20 0 FGADRP CC[NH+](CC)CCOc1ccccc1NC(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000108500161 494725479 /nfs/dbraw/zinc/72/54/79/494725479.db2.gz LYEPJPUEPBJRPG-SFHVURJKSA-N 2 0 374.529 3.013 20 0 FGADRP C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)NCc1ccc(C[NH+]3CCCC3)cc1)C2 ZINC000075315138 494725905 /nfs/dbraw/zinc/72/59/05/494725905.db2.gz SNGZQNYKDKWTTH-SEJPIABJSA-N 2 0 370.541 3.097 20 0 FGADRP C[C@H]1CCC[C@H](C[NH+]2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)C1 ZINC000092797397 494754194 /nfs/dbraw/zinc/75/41/94/494754194.db2.gz VHBOASLCSABTLX-ROUUACIJSA-N 2 0 351.579 3.229 20 0 FGADRP CNC(=O)c1cccc(C[N@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000092821488 494763132 /nfs/dbraw/zinc/76/31/32/494763132.db2.gz XJDVSXFQBGOMBT-UHFFFAOYSA-N 2 0 366.509 3.180 20 0 FGADRP CCC[C@H](C)NC(=O)[C@H](C)[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821459 494764048 /nfs/dbraw/zinc/76/40/48/494764048.db2.gz QNWRXXFIHCVTER-ROUUACIJSA-N 2 0 360.546 3.313 20 0 FGADRP C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)CC(=O)Nc1ccccc1 ZINC000092821651 494764663 /nfs/dbraw/zinc/76/46/63/494764663.db2.gz OMUQQMUUSVVVPV-UHFFFAOYSA-N 2 0 352.482 3.259 20 0 FGADRP C[C@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccc(C[NH+](C)C)cc1 ZINC000116385056 494771184 /nfs/dbraw/zinc/77/11/84/494771184.db2.gz RMRZZYXQLXPUDX-AVRDEDQJSA-N 2 0 352.526 3.143 20 0 FGADRP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)C1 ZINC000574297372 505741056 /nfs/dbraw/zinc/74/10/56/505741056.db2.gz MNUSQSHRBHJJIU-GHTZIAJQSA-N 2 0 372.557 3.331 20 0 FGADRP COC(=O)c1cc(C[NH+]2CCC(C[N@H+](C)Cc3ccccc3)CC2)c[nH]1 ZINC000093006837 494806273 /nfs/dbraw/zinc/80/62/73/494806273.db2.gz XMCNDGVDDXQWJD-UHFFFAOYSA-N 2 0 355.482 3.145 20 0 FGADRP CC(C)[C@@H](C[NH2+][C@@H](C)c1ccccc1Br)N1CC[NH+](C)CC1 ZINC000132326290 494857289 /nfs/dbraw/zinc/85/72/89/494857289.db2.gz MNINSDOFLXNZQI-MAUKXSAKSA-N 2 0 368.363 3.372 20 0 FGADRP CC(C)C1CCC(NC(=O)NC2CC[NH+](C3CCN(C)CC3)CC2)CC1 ZINC000132356793 494861313 /nfs/dbraw/zinc/86/13/13/494861313.db2.gz HKEMJZRFSNAGDP-UHFFFAOYSA-N 2 0 364.578 3.059 20 0 FGADRP CC[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)c1cc(C)ccc1OC ZINC000093372500 494881691 /nfs/dbraw/zinc/88/16/91/494881691.db2.gz IRWVQNMOBJOQLY-FQEVSTJZSA-N 2 0 368.525 3.391 20 0 FGADRP CC[NH+](CC)Cc1cccc(CNC(=O)NC[C@@H](C)C[NH+]2CCCC2)c1 ZINC000122021735 494911136 /nfs/dbraw/zinc/91/11/36/494911136.db2.gz FAYJOYWMVJIFHJ-GOSISDBHSA-N 2 0 360.546 3.060 20 0 FGADRP CCC[N@H+](C)C[C@@H]1CCN(Cc2ccccc2N2CC[NH+](CCC)CC2)C1 ZINC000093742180 494915886 /nfs/dbraw/zinc/91/58/86/494915886.db2.gz ZIIKFGIZBURVPM-NRFANRHFSA-N 2 0 372.601 3.382 20 0 FGADRP CN(c1ccccc1C[NH2+]CCOc1ccccc1)C1CC[NH+](C)CC1 ZINC000132735908 494916170 /nfs/dbraw/zinc/91/61/70/494916170.db2.gz NSBIOUJULHTOSW-UHFFFAOYSA-N 2 0 353.510 3.386 20 0 FGADRP COCC[N@H+](C)CCCC1CC[NH+](Cc2cc3ccccc3[nH]c2=O)CC1 ZINC000122148790 494931609 /nfs/dbraw/zinc/93/16/09/494931609.db2.gz DQUSJNONHGQDTP-UHFFFAOYSA-N 2 0 371.525 3.099 20 0 FGADRP CC[NH+](CC)Cc1cccc(C[NH2+][C@H](C)CS(=O)(=O)c2ccccc2)c1 ZINC000122159424 494933017 /nfs/dbraw/zinc/93/30/17/494933017.db2.gz ZBUNKSLAWTUGQY-GOSISDBHSA-N 2 0 374.550 3.480 20 0 FGADRP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)C1 ZINC000127370232 494935542 /nfs/dbraw/zinc/93/55/42/494935542.db2.gz MLXTTWLSSZSKBS-ROUUACIJSA-N 2 0 354.583 3.020 20 0 FGADRP CC[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccc(OC)c(OC)c1 ZINC000132920595 494943146 /nfs/dbraw/zinc/94/31/46/494943146.db2.gz KSSGUBYHJVAHDH-LPHOPBHVSA-N 2 0 362.514 3.245 20 0 FGADRP C/C=C/COc1ccc(CC[C@H](C)[NH2+]C[C@H](C)N2CC[NH+](C)CC2)cc1 ZINC000127533716 494957954 /nfs/dbraw/zinc/95/79/54/494957954.db2.gz AYCIYTJPGZHJNF-KJBZUCPPSA-N 2 0 359.558 3.188 20 0 FGADRP Cc1ccccc1C[NH+]1CCC(NC(=O)[C@H](C)[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000122333682 494959542 /nfs/dbraw/zinc/95/95/42/494959542.db2.gz OMSPRCKNDICELG-FHWLQOOXSA-N 2 0 357.542 3.337 20 0 FGADRP C[NH+](C)C1CCN(CC[NH2+][C@H]2CCCc3ncc(C(F)(F)F)cc32)CC1 ZINC000133151745 494977300 /nfs/dbraw/zinc/97/73/00/494977300.db2.gz UFCWFXWJMWTMPV-KRWDZBQOSA-N 2 0 370.463 3.093 20 0 FGADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H]1CCCc2ncc(C(F)(F)F)cc21 ZINC000133211164 494985484 /nfs/dbraw/zinc/98/54/84/494985484.db2.gz XMIOCSKEPPSTSV-WMLDXEAASA-N 2 0 359.436 3.424 20 0 FGADRP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccccc2N(C)C2CC[NH+](C)CC2)C1 ZINC000133297785 494996867 /nfs/dbraw/zinc/99/68/67/494996867.db2.gz VKKMMPKAKFOQOG-IBGZPJMESA-N 3 0 358.574 3.039 20 0 FGADRP C[C@@H](CNC(=O)NC1CCC([NH+]2CCC(C)CC2)CC1)C[NH+]1CCCC1 ZINC000122658633 495011296 /nfs/dbraw/zinc/01/12/96/495011296.db2.gz GLMJSXPXIVFCEH-HDYDNRTBSA-N 2 0 364.578 3.061 20 0 FGADRP C[C@H](CCCOc1ccccc1C(N)=O)[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000122925678 495053743 /nfs/dbraw/zinc/05/37/43/495053743.db2.gz CKFATNUEIGYTQZ-QGZVFWFLSA-N 2 0 373.541 3.330 20 0 FGADRP C[C@@H]([NH2+]CCCN1CCC[N@H+](C)CC1)c1ccc(Br)s1 ZINC000128287148 495073846 /nfs/dbraw/zinc/07/38/46/495073846.db2.gz HMQDSAHUPXSKLQ-CYBMUJFWSA-N 2 0 360.365 3.189 20 0 FGADRP C[C@@H](CCCOc1ccccc1C(N)=O)[NH2+]C1CCC(C[NH+](C)C)CC1 ZINC000123145555 495087046 /nfs/dbraw/zinc/08/70/46/495087046.db2.gz VNMGMSRDTAVBCE-AOCRQIFASA-N 2 0 361.530 3.043 20 0 FGADRP c1csc(Cn2cccc2C[NH+]2CCC(C[NH+]3CCOCC3)CC2)c1 ZINC000134065663 495100953 /nfs/dbraw/zinc/10/09/53/495100953.db2.gz GQHSOPFPOYNZFM-UHFFFAOYSA-N 2 0 359.539 3.142 20 0 FGADRP Cc1ccc(-c2ncc(C[NH+]3CCC(C[NH+]4CCOCC4)CC3)s2)o1 ZINC000134130105 495109920 /nfs/dbraw/zinc/10/99/20/495109920.db2.gz SWKFTANDWSKKQI-UHFFFAOYSA-N 2 0 361.511 3.256 20 0 FGADRP CCCC[N@H+](C)CC1CC[NH+](Cc2cn(C)nc2-c2cccnc2)CC1 ZINC000134155985 495114103 /nfs/dbraw/zinc/11/41/03/495114103.db2.gz DLOZPXCRIFPBOA-UHFFFAOYSA-N 2 0 355.530 3.426 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)N1CCC([NH2+]C(C)C)CC1)Cc1ccccc1 ZINC000111816517 495115434 /nfs/dbraw/zinc/11/54/34/495115434.db2.gz FNIJAGYOCRRUIT-OAQYLSRUSA-N 2 0 374.573 3.112 20 0 FGADRP C[NH+](C)C[C@H](Cc1ccccc1)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000128851986 495159304 /nfs/dbraw/zinc/15/93/04/495159304.db2.gz QRPTYQLDXQDSDU-DEOSSOPVSA-N 2 0 365.565 3.456 20 0 FGADRP CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)[C@H](C)[NH+]2CCCCCC2)c1 ZINC000580487644 505769615 /nfs/dbraw/zinc/76/96/15/505769615.db2.gz HEOPIOKHYBVNII-KRWDZBQOSA-N 2 0 374.529 3.170 20 0 FGADRP C[C@@H](NC(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(C)(C)C[NH+](C)C ZINC000119570244 495193456 /nfs/dbraw/zinc/19/34/56/495193456.db2.gz QOMPEDAKZGBBMK-QUCCMNQESA-N 2 0 374.573 3.126 20 0 FGADRP C[N@@H+](Cc1ccccc1)CC1CC[NH+](C[C@@H](O)COCc2ccco2)CC1 ZINC000103228005 495205868 /nfs/dbraw/zinc/20/58/68/495205868.db2.gz MSMYGYJBIQIPOA-OAQYLSRUSA-N 2 0 372.509 3.001 20 0 FGADRP C[NH+]1CCC(CCNC(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)CC1 ZINC000103320854 495219931 /nfs/dbraw/zinc/21/99/31/495219931.db2.gz ORYOETIPJVDBDN-HXUWFJFHSA-N 2 0 364.578 3.016 20 0 FGADRP C[C@@H]1CC[N@H+](C[C@H](O)Cc2ccc(C(F)(F)F)cc2)C[C@@H]1n1ccnc1 ZINC000129411348 495241897 /nfs/dbraw/zinc/24/18/97/495241897.db2.gz UBCRRJPCHVOGET-OLMNPRSZSA-N 2 0 367.415 3.388 20 0 FGADRP C[NH+](C)CC1CCC(NC(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000129420349 495243628 /nfs/dbraw/zinc/24/36/28/495243628.db2.gz JYSBZTARXRTYLB-KBWCOIMZSA-N 2 0 357.542 3.135 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N(C)CC1CC[NH+](C)CC1)c1ccsc1 ZINC000103509998 495245182 /nfs/dbraw/zinc/24/51/82/495245182.db2.gz VTYCVXRQRFHLDW-GOSISDBHSA-N 2 0 366.575 3.114 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N1CCC([NH2+]C2CCCC2)CC1 ZINC000129443178 495246007 /nfs/dbraw/zinc/24/60/07/495246007.db2.gz NGAUTFLNDVOVQC-GOSISDBHSA-N 2 0 364.578 3.347 20 0 FGADRP C[C@H]1C[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C[N@@H+]1Cc1ccccc1 ZINC000577647424 505770022 /nfs/dbraw/zinc/77/00/22/505770022.db2.gz NUFVKICSYQTQBW-AVRDEDQJSA-N 2 0 365.521 3.184 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NCCCCC[NH+]2CCCCC2)[C@H](C)C1 ZINC000129469167 495249428 /nfs/dbraw/zinc/24/94/28/495249428.db2.gz FAFBCAOIQBRRSL-MOPGFXCFSA-N 2 0 352.567 3.014 20 0 FGADRP CC[C@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)c1ccc(OC)c(OC)c1 ZINC000124403831 495281643 /nfs/dbraw/zinc/28/16/43/495281643.db2.gz BHKYVUBAEZZKFH-IBGZPJMESA-N 2 0 363.546 3.018 20 0 FGADRP CC1CC[NH+](Cc2cccc(CNC(=O)N3CC[C@@H](C[NH+](C)C)C3)c2)CC1 ZINC000129875433 495309039 /nfs/dbraw/zinc/30/90/39/495309039.db2.gz LIOSPVFBACDWMV-NRFANRHFSA-N 2 0 372.557 3.012 20 0 FGADRP CC[NH+]1CCC(NC(=O)NCC2([NH2+][C@H](C)c3ccccc3)CCCC2)CC1 ZINC000113580899 495316761 /nfs/dbraw/zinc/31/67/61/495316761.db2.gz MNVNLFVIDVKQIK-GOSISDBHSA-N 2 0 372.557 3.434 20 0 FGADRP COc1ccc([C@@H](C)[NH2+]CC2(N3CCCCC3)CC[NH+](C)CC2)c(F)c1 ZINC000124626712 495318535 /nfs/dbraw/zinc/31/85/35/495318535.db2.gz SHJRVGQQXZVZDM-QGZVFWFLSA-N 2 0 363.521 3.435 20 0 FGADRP CC(=O)Nc1ccc(C[NH2+][C@@H](C)c2cccc(OCC[NH+](C)C)c2)cc1 ZINC000120183276 495322642 /nfs/dbraw/zinc/32/26/42/495322642.db2.gz RMWGPEZTGZQVSB-INIZCTEOSA-N 2 0 355.482 3.436 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)NCC1CC[NH+](C)CC1 ZINC000105113089 495337730 /nfs/dbraw/zinc/33/77/30/495337730.db2.gz VPWDWVUMKXYYLH-GOSISDBHSA-N 2 0 372.557 3.202 20 0 FGADRP CCOc1ccc([C@H]2CCC[N@@H+]2CC(=O)NC2CC[NH+](C(C)C)CC2)cc1 ZINC000114454024 495376006 /nfs/dbraw/zinc/37/60/06/495376006.db2.gz VNZMUKMKBKGAKD-OAQYLSRUSA-N 2 0 373.541 3.211 20 0 FGADRP Cc1cccc(N2CC[NH+](CCCC[NH2+][C@H](C)c3cnccn3)CC2)c1 ZINC000125329235 495426738 /nfs/dbraw/zinc/42/67/38/495426738.db2.gz URFHDQJBZUYGHD-LJQANCHMSA-N 2 0 353.514 3.038 20 0 FGADRP C[C@@H]1C[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)C[N@@H+]1Cc1ccccc1 ZINC000137482653 495442887 /nfs/dbraw/zinc/44/28/87/495442887.db2.gz DYNRKIAFEIYFLX-DYESRHJHSA-N 2 0 351.494 3.141 20 0 FGADRP C[C@@H](Cn1cc(Br)cn1)[NH2+]CCC[N@H+](C)C1CCCCC1 ZINC000120768966 495454062 /nfs/dbraw/zinc/45/40/62/495454062.db2.gz GPTRAGKXEDDYNA-AWEZNQCLSA-N 2 0 357.340 3.278 20 0 FGADRP C[N@H+](CCNC(=O)C1CC[NH+](C[C@@H]2CC=CCC2)CC1)Cc1ccccc1 ZINC000130902850 495463744 /nfs/dbraw/zinc/46/37/44/495463744.db2.gz WGPOZFVBWYLUJD-OAQYLSRUSA-N 2 0 369.553 3.303 20 0 FGADRP COc1ccc([C@H](C)[NH2+]C[C@@H](C)CN2CC[NH+](C)CC2)c2ccccc12 ZINC000120864878 495474444 /nfs/dbraw/zinc/47/44/44/495474444.db2.gz SLWPNITZQBRYCG-MSOLQXFVSA-N 2 0 355.526 3.383 20 0 FGADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCC(=O)NCc2ccccc2Cl)[C@H](C)C1 ZINC000125756064 495493782 /nfs/dbraw/zinc/49/37/82/495493782.db2.gz ZNJXHCQOZZJWIG-CRAIPNDOSA-N 2 0 351.922 3.008 20 0 FGADRP COc1ccc2cc([C@@H](C)[NH2+]C[C@H](C)CN3CC[NH+](C)CC3)ccc2c1 ZINC000121062762 495515435 /nfs/dbraw/zinc/51/54/35/495515435.db2.gz NCLVNNNZVBYARU-ZWKOTPCHSA-N 2 0 355.526 3.383 20 0 FGADRP Cc1c(F)cccc1-c1ccc(C[NH2+]C[C@@H](C)CN2CC[NH+](C)CC2)o1 ZINC000115616341 495521272 /nfs/dbraw/zinc/52/12/72/495521272.db2.gz ZWFBLWOXDKJPOQ-MRXNPFEDSA-N 2 0 359.489 3.367 20 0 FGADRP C[NH+](C)CCCOc1ccc(NC(=O)N2CC[NH+](C3CCCC3)CC2)cc1 ZINC000107386471 495526805 /nfs/dbraw/zinc/52/68/05/495526805.db2.gz YHTMTMNUULPHMZ-UHFFFAOYSA-N 2 0 374.529 3.109 20 0 FGADRP CCC[C@@H]([NH2+]Cc1ccc(N2CC[NH+](CC)CC2)nc1)c1ccccn1 ZINC000158663331 495562610 /nfs/dbraw/zinc/56/26/10/495562610.db2.gz GVUAVEQSYNBDEV-LJQANCHMSA-N 2 0 353.514 3.250 20 0 FGADRP C[C@H]([NH2+]CCCC[NH+]1CCN(Cc2ccccc2)CC1)c1ccccn1 ZINC000158692884 495570092 /nfs/dbraw/zinc/57/00/92/495570092.db2.gz ALYCAYYTNRNZJU-FQEVSTJZSA-N 2 0 352.526 3.330 20 0 FGADRP CC[NH+]1CCN(CCC[NH2+][C@@H](C)c2cccc(-c3ccncc3)c2)CC1 ZINC000154331846 495583223 /nfs/dbraw/zinc/58/32/23/495583223.db2.gz DEEKKMPLWJYAGJ-IBGZPJMESA-N 2 0 352.526 3.427 20 0 FGADRP CC[C@H]([NH2+]CCCC[NH+]1CCN(C)CC1)c1cc(Cl)ccc1OC ZINC000154355311 495589900 /nfs/dbraw/zinc/58/99/00/495589900.db2.gz LABZKZUKMPXUBR-SFHVURJKSA-N 2 0 353.938 3.417 20 0 FGADRP COC(=O)c1cc(C[N@@H+]2CCC[C@@H]2Cn2c(C)nc3ccccc32)cn1C ZINC000571687928 505791178 /nfs/dbraw/zinc/79/11/78/505791178.db2.gz SYTGVOBSJAGHTE-QGZVFWFLSA-N 2 0 366.465 3.134 20 0 FGADRP CCN1CC[NH+](CCCC[NH2+][C@H](C)c2cc(Cl)ccc2OC)CC1 ZINC000154531948 495644592 /nfs/dbraw/zinc/64/45/92/495644592.db2.gz FKEDSLITWYCXRX-MRXNPFEDSA-N 2 0 353.938 3.417 20 0 FGADRP CC[C@@H]1[C@H](C)CC[N@@H+]1CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000185631637 495653835 /nfs/dbraw/zinc/65/38/35/495653835.db2.gz KEQKMWZYKKRJGZ-VQIMIIECSA-N 2 0 361.555 3.294 20 0 FGADRP C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)[C@]2(C)CC[NH2+]C2)cc1 ZINC000568862402 505795678 /nfs/dbraw/zinc/79/56/78/505795678.db2.gz MQKVEXPKCMMXOC-JOCHJYFZSA-N 2 0 351.494 3.031 20 0 FGADRP O=C(NC1CC[NH+](C2CCCCC2)CC1)N1CC[NH+](C2CCCC2)CC1 ZINC000176492252 495671166 /nfs/dbraw/zinc/67/11/66/495671166.db2.gz RPJIWDCDTLNBQY-UHFFFAOYSA-N 2 0 362.562 3.053 20 0 FGADRP C[C@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1ccccc1Br ZINC000150958994 495694412 /nfs/dbraw/zinc/69/44/12/495694412.db2.gz ZZSRXNHCSPILIT-AWEZNQCLSA-N 2 0 354.336 3.126 20 0 FGADRP CCC[NH+]1CCC(N(C)C(=O)NC[C@@]2([NH+](C)C)CCC[C@@H](C)C2)CC1 ZINC000171048274 495702656 /nfs/dbraw/zinc/70/26/56/495702656.db2.gz HWVFWNXGFRPKQY-YLJYHZDGSA-N 2 0 352.567 3.013 20 0 FGADRP CC[NH+](CC)CCCNC(=O)C1CC[NH+](Cc2cc(C)ccc2C)CC1 ZINC000151000688 495708060 /nfs/dbraw/zinc/70/80/60/495708060.db2.gz YZFNACMDILBMCK-UHFFFAOYSA-N 2 0 359.558 3.364 20 0 FGADRP O[C@H](COCc1ccccc1Cl)C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000173872518 495726565 /nfs/dbraw/zinc/72/65/65/495726565.db2.gz CFXBQUOITLTJAQ-MJGOQNOKSA-N 2 0 366.933 3.025 20 0 FGADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc(OC)c(Cn3cccn3)c2)C1 ZINC000151130730 495747287 /nfs/dbraw/zinc/74/72/87/495747287.db2.gz ACXAOCQADVOTQX-ZWKOTPCHSA-N 2 0 356.514 3.323 20 0 FGADRP Cc1ccc(OCCC[N@H+]2CCCC[C@@H](N3CCN(C)CC3)C2)cc1C ZINC000182902183 495748825 /nfs/dbraw/zinc/74/88/25/495748825.db2.gz NBNGGXHKKFLZQK-OAQYLSRUSA-N 2 0 359.558 3.174 20 0 FGADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1ccc(-c2c(F)cccc2F)o1 ZINC000185881629 495763314 /nfs/dbraw/zinc/76/33/14/495763314.db2.gz ZUVURKOJSNYTOL-OAHLLOKOSA-N 2 0 363.452 3.340 20 0 FGADRP C[NH+]1CCN(CCC(C)(C)[NH2+]Cc2ccc(-c3ccncc3)cc2F)CC1 ZINC000185895117 495769743 /nfs/dbraw/zinc/76/97/43/495769743.db2.gz ASEPRPGZPDJDEG-UHFFFAOYSA-N 2 0 370.516 3.393 20 0 FGADRP C[C@H](NC(=O)NCCC[NH2+]C1CCCCC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182954981 495773545 /nfs/dbraw/zinc/77/35/45/495773545.db2.gz JTTVTXHLCZYAPT-ROUUACIJSA-N 2 0 364.578 3.251 20 0 FGADRP COc1ncc(C[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1Cl ZINC000574563293 505802828 /nfs/dbraw/zinc/80/28/28/505802828.db2.gz YHSDNEULBJPVEJ-APWZRJJASA-N 2 0 359.857 3.089 20 0 FGADRP C[N@H+](CCCOc1cccc(C(F)(F)F)c1)CCCN1CC[NH+](C)CC1 ZINC000182968770 495779963 /nfs/dbraw/zinc/77/99/63/495779963.db2.gz AZSLCJADXBQQNC-UHFFFAOYSA-N 2 0 373.463 3.044 20 0 FGADRP Cc1cnn(CCCCC[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)c1 ZINC000182979066 495781965 /nfs/dbraw/zinc/78/19/65/495781965.db2.gz WCRSVUFZWCAJRO-UHFFFAOYSA-N 2 0 362.562 3.186 20 0 FGADRP COc1ccc(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)cc1F ZINC000182989003 495787865 /nfs/dbraw/zinc/78/78/65/495787865.db2.gz SKDUZGQKGQBLBG-UHFFFAOYSA-N 2 0 350.478 3.159 20 0 FGADRP COc1cc(-c2ccccc2)ccc1C[NH2+]C[C@H](C)CN1CC[NH+](C)CC1 ZINC000183058442 495817374 /nfs/dbraw/zinc/81/73/74/495817374.db2.gz HCZYJLVEPMQXPJ-IBGZPJMESA-N 2 0 367.537 3.335 20 0 FGADRP Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]C[C@@H](C(C)C)N1CC[NH+](C)CC1)CC3 ZINC000180070092 495845190 /nfs/dbraw/zinc/84/51/90/495845190.db2.gz UIQQWECQBDYSJV-MBSDFSHPSA-N 2 0 368.569 3.195 20 0 FGADRP C[C@H](c1ccccc1)N1CC[C@H]([NH2+]C2CCN(Cc3ccccn3)CC2)C1 ZINC000151565537 495879538 /nfs/dbraw/zinc/87/95/38/495879538.db2.gz SHSZNZKQJKEAIL-XXBNENTESA-N 2 0 364.537 3.471 20 0 FGADRP C[C@@H]([NH2+]CCCC[NH+]1CCN(c2ccccc2)CC1)c1cccc(CO)c1 ZINC000183236651 495891700 /nfs/dbraw/zinc/89/17/00/495891700.db2.gz KMIXGINIDLHHJW-HXUWFJFHSA-N 2 0 367.537 3.432 20 0 FGADRP CCN(CC)C(=O)[C@@H](C)N(C)C[C@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000580677072 505811305 /nfs/dbraw/zinc/81/13/05/505811305.db2.gz OAQSQQPHOQRUCH-IAGOWNOFSA-N 2 0 351.560 3.067 20 0 FGADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H](C)c2ccc(Br)cc2)CC1 ZINC000177216657 495981692 /nfs/dbraw/zinc/98/16/92/495981692.db2.gz ILNGEUAZYLDKBX-CABCVRRESA-N 2 0 354.336 3.126 20 0 FGADRP O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000171677955 495986441 /nfs/dbraw/zinc/98/64/41/495986441.db2.gz VUKAFXCWYOTQPY-RTBURBONSA-N 2 0 374.529 3.076 20 0 FGADRP O=C(/C=C/c1ccc(-n2ccnc2)cc1)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000174533137 495998112 /nfs/dbraw/zinc/99/81/12/495998112.db2.gz ROESFTWEIHJXLX-ZGBFETHSSA-N 2 0 364.493 3.220 20 0 FGADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H](C)c2ccccc2OC(F)(F)F)CC1 ZINC000155587329 496004515 /nfs/dbraw/zinc/00/45/15/496004515.db2.gz SMTJVSNPYBUXPK-HUUCEWRRSA-N 2 0 359.436 3.262 20 0 FGADRP C[C@H]([NH2+]C1(CNC(=O)N2CC[C@]3(CC[NH2+]C3)C2)CCCC1)c1ccccc1 ZINC000580704395 505818907 /nfs/dbraw/zinc/81/89/07/505818907.db2.gz SCSYMMNLCNYOIC-RXVVDRJESA-N 2 0 370.541 3.045 20 0 FGADRP CC(C)(C[NH2+]C1CCN(CC(F)(F)F)CC1)N1CCc2ccccc2C1 ZINC000155666640 496030250 /nfs/dbraw/zinc/03/02/50/496030250.db2.gz IOBVWLNQLXWQIW-UHFFFAOYSA-N 2 0 369.475 3.440 20 0 FGADRP C[NH+](C)Cc1cccc(C(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)c1 ZINC000155672758 496032157 /nfs/dbraw/zinc/03/21/57/496032157.db2.gz JFBBRJPVKVYUSS-NRFANRHFSA-N 2 0 351.494 3.315 20 0 FGADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H](C)c2sc(-c3cccnc3)nc2C)CC1 ZINC000155673068 496032473 /nfs/dbraw/zinc/03/24/73/496032473.db2.gz GBJSRLNTEFIFBI-JKSUJKDBSA-N 2 0 373.570 3.190 20 0 FGADRP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)CC3 ZINC000180577359 496052648 /nfs/dbraw/zinc/05/26/48/496052648.db2.gz QUVUMFSWNLQUNK-PKOBYXMFSA-N 2 0 367.537 3.424 20 0 FGADRP CCOc1ccc([C@H](C)[NH2+]C[C@@H](C)N2CC[NH+](CC)CC2)cc1OCC ZINC000155743020 496053636 /nfs/dbraw/zinc/05/36/36/496053636.db2.gz BJVWSGILPDQWRB-MSOLQXFVSA-N 2 0 363.546 3.161 20 0 FGADRP C[N@H+](CCNC(=O)NC1CC[NH+](C2CCCCC2)CC1)Cc1ccccc1 ZINC000177424847 496057391 /nfs/dbraw/zinc/05/73/91/496057391.db2.gz ORWPIWCHIRTDND-UHFFFAOYSA-N 2 0 372.557 3.215 20 0 FGADRP COc1ccc(OC(F)F)c(C[NH2+]CCCC[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC000171841447 496058999 /nfs/dbraw/zinc/05/89/99/496058999.db2.gz TVBBRUROPFLDOA-HUUCEWRRSA-N 2 0 372.456 3.276 20 0 FGADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H]1CCSc2ccc(Cl)cc21 ZINC000186592770 496062378 /nfs/dbraw/zinc/06/23/78/496062378.db2.gz TUQVUBIMONPPFJ-WMLDXEAASA-N 2 0 353.963 3.493 20 0 FGADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000177511261 496092248 /nfs/dbraw/zinc/09/22/48/496092248.db2.gz XVUPBLWEEDJOPT-LJQANCHMSA-N 2 0 364.578 3.347 20 0 FGADRP Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)CCC1CC[NH2+]CC1 ZINC000155953453 496116017 /nfs/dbraw/zinc/11/60/17/496116017.db2.gz ZGZHSPLXABDSKA-UHFFFAOYSA-N 2 0 361.555 3.262 20 0 FGADRP C[NH+](C)Cc1cccc(C(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)c1 ZINC000156039865 496140708 /nfs/dbraw/zinc/14/07/08/496140708.db2.gz CBAKBNYPJVWICS-SFHVURJKSA-N 2 0 371.550 3.452 20 0 FGADRP C[C@H]([NH2+]C(C)(C)CNC(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccccc1 ZINC000174890732 496150882 /nfs/dbraw/zinc/15/08/82/496150882.db2.gz CYEDSAQDAFPJQG-LNLFQRSKSA-N 2 0 360.546 3.240 20 0 FGADRP CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000177826903 496212539 /nfs/dbraw/zinc/21/25/39/496212539.db2.gz DIIBPUSYTKSBIO-OAQYLSRUSA-N 2 0 370.516 3.329 20 0 FGADRP Cc1ccc(C[C@H]([NH2+]Cc2ccc(N3CC[NH+](C)CC3)nc2)C2CC2)cc1 ZINC000177828361 496214383 /nfs/dbraw/zinc/21/43/83/496214383.db2.gz IUKKBSIQBZOEAJ-QFIPXVFZSA-N 2 0 364.537 3.253 20 0 FGADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1ccc(C)cc1OCC[NH+](C)C ZINC000177866088 496230367 /nfs/dbraw/zinc/23/03/67/496230367.db2.gz VBOOAUKAYIRTFU-MSOLQXFVSA-N 2 0 374.529 3.026 20 0 FGADRP Cc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)CCC2 ZINC000180998036 496234065 /nfs/dbraw/zinc/23/40/65/496234065.db2.gz PVHFFWZTYPCPJS-QFIPXVFZSA-N 2 0 365.521 3.454 20 0 FGADRP C[C@@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000175272094 496316598 /nfs/dbraw/zinc/31/65/98/496316598.db2.gz ZIVGHUBOVUOKPU-KYHREEPGSA-N 2 0 357.542 3.417 20 0 FGADRP Cc1ccccc1C[NH+]1CCC(NC(=O)C[NH2+][C@H]2CCCC[C@@H]2C)CC1 ZINC000162437659 496352726 /nfs/dbraw/zinc/35/27/26/496352726.db2.gz WMRXDHRTMZLXHJ-RXVVDRJESA-N 2 0 357.542 3.244 20 0 FGADRP C[C@@H](CCc1ccco1)[NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000156914565 496363192 /nfs/dbraw/zinc/36/31/92/496363192.db2.gz YBFZWQPYUDGUIM-PXNSSMCTSA-N 2 0 369.509 3.088 20 0 FGADRP CC(=O)Nc1cccc([C@H](C)[NH2+]Cc2cccc(OCC[NH+](C)C)c2)c1 ZINC000162538193 496369535 /nfs/dbraw/zinc/36/95/35/496369535.db2.gz YNQXPLVVSGUYDT-INIZCTEOSA-N 2 0 355.482 3.436 20 0 FGADRP C[C@H]1C[C@@H]([NH2+]CCCN2CC[NH+](C)CC2)c2cccc(Br)c21 ZINC000162546682 496371718 /nfs/dbraw/zinc/37/17/18/496371718.db2.gz BHGOQRYECFXLAP-WMLDXEAASA-N 2 0 366.347 3.225 20 0 FGADRP Cc1nn(C)cc1[C@@H](C)[NH2+]CCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000178283851 496398760 /nfs/dbraw/zinc/39/87/60/496398760.db2.gz BSSUWDSZTNGVTN-GOSISDBHSA-N 2 0 370.541 3.450 20 0 FGADRP C[N@@H+]1CCN(CCC[NH2+][C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)[C@@H](c2ccccc2)C1 ZINC000181478307 496413215 /nfs/dbraw/zinc/41/32/15/496413215.db2.gz NHFWUEMQXFIWAL-CBPXPLCBSA-N 2 0 371.569 3.158 20 0 FGADRP C[NH+](C)CCC1CC[NH+](C[C@@H](O)COc2ccccc2C(F)(F)F)CC1 ZINC000181569695 496450448 /nfs/dbraw/zinc/45/04/48/496450448.db2.gz NXWPXWJBHMXQFY-MRXNPFEDSA-N 2 0 374.447 3.109 20 0 FGADRP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N(C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000187479080 496458270 /nfs/dbraw/zinc/45/82/70/496458270.db2.gz SKEMTKJDIKWQNS-JBACZVJFSA-N 2 0 374.573 3.267 20 0 FGADRP [NH3+][C@H]1CCCO[C@H]1C1CC[NH+](Cc2cccc(-c3ccncc3)c2)CC1 ZINC000580821513 505845655 /nfs/dbraw/zinc/84/56/55/505845655.db2.gz WJEVLECQWUBJRB-VXKWHMMOSA-N 2 0 351.494 3.467 20 0 FGADRP C[C@@H](CCNC(=O)N1CC[C@@H](C[NH+]2CCCC2)C1)[N@H+](C)Cc1ccccc1 ZINC000175632745 496473556 /nfs/dbraw/zinc/47/35/56/496473556.db2.gz QPMXMEOFRVVTHF-FPOVZHCZSA-N 2 0 372.557 3.024 20 0 FGADRP C[C@@H]1C[C@H](N(C)C(=O)N[C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)CC[N@@H+]1C ZINC000175641991 496479185 /nfs/dbraw/zinc/47/91/85/496479185.db2.gz QNTQDWKCCSDOGA-YXYSEUPNSA-N 2 0 372.557 3.164 20 0 FGADRP Cc1ccc([C@@H](C[NH2+]Cc2ccc3c(c2)NC(=O)CO3)N2CCCC2)cc1 ZINC000578033697 505846677 /nfs/dbraw/zinc/84/66/77/505846677.db2.gz MGKYZCKCJJICAW-HXUWFJFHSA-N 2 0 365.477 3.253 20 0 FGADRP C[NH+](C)Cc1cccc(NC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000163219057 496482905 /nfs/dbraw/zinc/48/29/05/496482905.db2.gz YBIPIFXPPOPZTN-PXNSSMCTSA-N 2 0 356.514 3.229 20 0 FGADRP C[C@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)c1ccc(-n2cnnn2)cc1 ZINC000157551380 496501710 /nfs/dbraw/zinc/50/17/10/496501710.db2.gz BZOCJEOBCIETLS-INIZCTEOSA-N 2 0 354.502 3.110 20 0 FGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@H](C)c2cc3cccc(OC)c3o2)CC1 ZINC000181692704 496504945 /nfs/dbraw/zinc/50/49/45/496504945.db2.gz VCIRDRQJQQGKRO-DLBZAZTESA-N 2 0 359.514 3.366 20 0 FGADRP COc1cccc2cc([C@H](C)[NH2+]CC3CC[NH+](CCN(C)C)CC3)oc21 ZINC000181697696 496508043 /nfs/dbraw/zinc/50/80/43/496508043.db2.gz UNFXIZIXYCQJEZ-INIZCTEOSA-N 2 0 359.514 3.366 20 0 FGADRP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCN(c3ccc(Br)cc3)C2)CC[N@@H+]1C ZINC000178711837 496548248 /nfs/dbraw/zinc/54/82/48/496548248.db2.gz YXXZQEPYVSBECA-VYDXJSESSA-N 2 0 366.347 3.348 20 0 FGADRP C[NH+]1CCN(c2ncccc2C[NH2+][C@H]2CC[C@](C)(c3ccccc3)C2)CC1 ZINC000187856158 496596742 /nfs/dbraw/zinc/59/67/42/496596742.db2.gz RNTBVNOJMTVXPB-GMAHTHKFSA-N 2 0 364.537 3.433 20 0 FGADRP CC[NH+](CC)CCOc1ccccc1NC(=O)C[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000164322827 496603968 /nfs/dbraw/zinc/60/39/68/496603968.db2.gz DIPICVUBOZPPRE-ZWKOTPCHSA-N 2 0 361.530 3.372 20 0 FGADRP Cc1cccc(C[NH+]2CCC(NC(=O)[C@@H](C)[C@H]([NH3+])c3ccccc3)CC2)c1 ZINC000164543836 496618341 /nfs/dbraw/zinc/61/83/41/496618341.db2.gz UQQWEMIAPCWMOI-AVRDEDQJSA-N 2 0 365.521 3.412 20 0 FGADRP C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@@H]([NH3+])Cc3ccccc3)cc2)C1 ZINC000164573449 496620961 /nfs/dbraw/zinc/62/09/61/496620961.db2.gz XSUYUZRBGBRFBJ-UTKZUKDTSA-N 2 0 351.494 3.427 20 0 FGADRP O=C(NC1CC[NH+](C2CCCC2)CC1)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000176022110 496647015 /nfs/dbraw/zinc/64/70/15/496647015.db2.gz XSUHXKHFIWKORH-HXUWFJFHSA-N 2 0 362.562 3.053 20 0 FGADRP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)c2coc(C[NH3+])c2)C1 ZINC000188068578 496669869 /nfs/dbraw/zinc/66/98/69/496669869.db2.gz HBCUYULQKQPEFE-HZPDHXFCSA-N 2 0 355.482 3.146 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1)c1ccccc1 ZINC000173414090 496682413 /nfs/dbraw/zinc/68/24/13/496682413.db2.gz XWQOPLREEPZNLB-YZGWKJHDSA-N 2 0 360.546 3.194 20 0 FGADRP [NH3+][C@H](C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1)c1ccccc1 ZINC000166408430 496686297 /nfs/dbraw/zinc/68/62/97/496686297.db2.gz JEDSZCFXFVSHME-NRFANRHFSA-N 2 0 351.494 3.379 20 0 FGADRP CC[C@H](C)[C@H]([NH3+])C(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000167846253 496705931 /nfs/dbraw/zinc/70/59/31/496705931.db2.gz DFUAEFZYCVYATF-KSSFIOAISA-N 2 0 351.922 3.042 20 0 FGADRP Cc1cccc(OC[C@@H](O)C[NH2+]Cc2ccccc2C[N@@H+](C)C(C)C)c1 ZINC000580887796 505861576 /nfs/dbraw/zinc/86/15/76/505861576.db2.gz PKFCTFQYHQWJOI-NRFANRHFSA-N 2 0 356.510 3.365 20 0 FGADRP Cc1ccc(Cl)c(OC[C@H](O)C[NH+]2CCC(CC[NH+](C)C)CC2)c1 ZINC000182259179 496722003 /nfs/dbraw/zinc/72/20/03/496722003.db2.gz AWCIWYLJSWSBJX-QGZVFWFLSA-N 2 0 354.922 3.052 20 0 FGADRP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1ccccc1N(C)C ZINC000182273157 496724411 /nfs/dbraw/zinc/72/44/11/496724411.db2.gz GBSTXZGQISLZAM-PXNSSMCTSA-N 2 0 353.510 3.170 20 0 FGADRP CSc1ccccc1[C@@H](C)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000194843468 496733544 /nfs/dbraw/zinc/73/35/44/496733544.db2.gz UIYGAWJEXKLKRH-MRXNPFEDSA-N 2 0 356.539 3.406 20 0 FGADRP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCC(NC(=O)Nc2ccc(F)cc2)CC1 ZINC000268560201 496735343 /nfs/dbraw/zinc/73/53/43/496735343.db2.gz OUUSQDNQBZIMAP-LJQANCHMSA-N 2 0 362.493 3.286 20 0 FGADRP COc1cccc2c1CCC[C@@H]2[NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000194853290 496736682 /nfs/dbraw/zinc/73/66/82/496736682.db2.gz XNBDAHTUCNTVCV-FQEVSTJZSA-N 2 0 366.509 3.009 20 0 FGADRP Cc1cccc(N2CC[NH+](CCCC[NH2+][C@@H]3C[C@H](C)[N@@H+](C)C[C@H]3C)CC2)c1 ZINC000246988184 496743616 /nfs/dbraw/zinc/74/36/16/496743616.db2.gz KBGVYCRPIOJRKW-FUPPJEDESA-N 3 0 372.601 3.216 20 0 FGADRP C[C@H]([NH2+]CCCn1ccnc1)c1ccccc1I ZINC000268706812 496764021 /nfs/dbraw/zinc/76/40/21/496764021.db2.gz BWCSJHCSGMSAPV-LBPRGKRZSA-N 2 0 355.223 3.229 20 0 FGADRP CC(C)(C)[NH+]1CCC(NC(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000194946178 496770447 /nfs/dbraw/zinc/77/04/47/496770447.db2.gz OTBRDKPCHZNMFS-IBGZPJMESA-N 2 0 357.542 3.278 20 0 FGADRP CC[C@H](C(=O)N1CCC([NH2+][C@H]2C[C@@H](C)N(C3CC3)C2)CC1)c1ccccc1 ZINC000247075332 496772335 /nfs/dbraw/zinc/77/23/35/496772335.db2.gz QKVOYDLMWQRLLB-AGHHOFFYSA-N 2 0 369.553 3.386 20 0 FGADRP C[C@H](Cc1ccsc1)[NH+]1CCN(c2ccccc2OCC[NH+](C)C)CC1 ZINC000574840604 505865176 /nfs/dbraw/zinc/86/51/76/505865176.db2.gz QIWGEZHTYOJVAN-GOSISDBHSA-N 2 0 373.566 3.442 20 0 FGADRP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000273378424 496789136 /nfs/dbraw/zinc/78/91/36/496789136.db2.gz HWCBDBAUQKUTGU-SFHVURJKSA-N 2 0 372.557 3.154 20 0 FGADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2ccc(OCCOC)c(OC)c2)C1 ZINC000268822933 496795310 /nfs/dbraw/zinc/79/53/10/496795310.db2.gz IAROOUYYSWSNIM-IAGOWNOFSA-N 2 0 350.503 3.103 20 0 FGADRP CCn1cc([C@@H](C)[NH2+]Cc2ccc(OCC[NH+](CC)CC)c(OC)c2)cn1 ZINC000268843186 496801232 /nfs/dbraw/zinc/80/12/32/496801232.db2.gz IJCRCTPWLJXYGD-QGZVFWFLSA-N 2 0 374.529 3.483 20 0 FGADRP COc1cccc2c1CC[C@H]2[NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000268878798 496812462 /nfs/dbraw/zinc/81/24/62/496812462.db2.gz MKKDOWPEJRRTII-JOCHJYFZSA-N 2 0 366.505 3.429 20 0 FGADRP Cc1ccccc1C[C@H](CO)[NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000191564327 496813707 /nfs/dbraw/zinc/81/37/07/496813707.db2.gz FXVHZOPWDVHASO-GHTZIAJQSA-N 2 0 356.510 3.190 20 0 FGADRP CC1(C(=O)NC2CC[NH+](CC3CC3)CC2)CC[NH+](Cc2ccccc2)CC1 ZINC000188513451 496815735 /nfs/dbraw/zinc/81/57/35/496815735.db2.gz PVLYSBRIQQVRKR-UHFFFAOYSA-N 2 0 369.553 3.279 20 0 FGADRP Cc1ccccc1C[C@@H](CO)[NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000191574871 496818513 /nfs/dbraw/zinc/81/85/13/496818513.db2.gz RPRFUHHTOGGPCY-RXVVDRJESA-N 2 0 356.510 3.190 20 0 FGADRP Cc1ccc(C[C@@H](CO)[NH2+][C@H](C)c2cccc(OCC[NH+](C)C)c2)cc1 ZINC000191585075 496821528 /nfs/dbraw/zinc/82/15/28/496821528.db2.gz UTGRFLAPZSKNJW-NQIIRXRSSA-N 2 0 356.510 3.190 20 0 FGADRP Cc1ccc(C[C@H](CO)[NH2+][C@@H](C)c2ccc(OCC[NH+](C)C)cc2)cc1 ZINC000191595049 496824768 /nfs/dbraw/zinc/82/47/68/496824768.db2.gz NOFRHDFYHKUACR-GHTZIAJQSA-N 2 0 356.510 3.190 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N1CC[C@H](C[N@@H+](C)CC)C1)c1ccsc1 ZINC000247313278 496831187 /nfs/dbraw/zinc/83/11/87/496831187.db2.gz KECHYYFNYGUTMM-SJLPKXTDSA-N 2 0 366.575 3.114 20 0 FGADRP CCCOc1ccc([C@@H](C)[NH2+]CC2(O)CC[NH+](C)CC2)cc1OCCC ZINC000268950295 496831968 /nfs/dbraw/zinc/83/19/68/496831968.db2.gz CCPXIYFDJLHSJN-QGZVFWFLSA-N 2 0 364.530 3.372 20 0 FGADRP C[C@H](OC[C@H](O)C[N@H+](C)[C@H]1CCN(C)[C@@H](C)C1)c1ccc(Cl)cc1 ZINC000247335784 496837814 /nfs/dbraw/zinc/83/78/14/496837814.db2.gz NELHAWVUPSXVPB-STEAMIEHSA-N 2 0 354.922 3.193 20 0 FGADRP C[C@H](NC(=O)CN(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000247483800 496870432 /nfs/dbraw/zinc/87/04/32/496870432.db2.gz KJXXTEAGOPMMIK-PZJWPPBQSA-N 2 0 365.521 3.318 20 0 FGADRP COc1ccc(CN2CCC[C@@H](c3ncc[nH]3)C2)c(Br)c1O ZINC000273696230 496877501 /nfs/dbraw/zinc/87/75/01/496877501.db2.gz CKAGIBYPLFHHHG-GFCCVEGCSA-N 2 0 366.259 3.266 20 0 FGADRP CC[NH+](CC)CCCNC(=O)C1CC[NH+](Cc2cc(F)ccc2C)CC1 ZINC000188842204 496925282 /nfs/dbraw/zinc/92/52/82/496925282.db2.gz NNAKHERFXSUXDC-UHFFFAOYSA-N 2 0 363.521 3.194 20 0 FGADRP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+][C@@H]1CCCOc2c(Cl)cccc21 ZINC000247970505 496935942 /nfs/dbraw/zinc/93/59/42/496935942.db2.gz HGXZRJZXPYLKEG-MAUKXSAKSA-N 2 0 352.906 3.380 20 0 FGADRP COc1ccc(Cl)c(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)c1 ZINC000192051660 496976861 /nfs/dbraw/zinc/97/68/61/496976861.db2.gz JJYUCJXZKXMKNN-UHFFFAOYSA-N 2 0 352.906 3.425 20 0 FGADRP O[C@@H]1CC[N@H+](Cc2ccccc2C[NH2+][C@H](Cc2ccccc2)C2CC2)C1 ZINC000248436059 497009793 /nfs/dbraw/zinc/00/97/93/497009793.db2.gz GDJLOJCLNFIAOA-DHIUTWEWSA-N 2 0 350.506 3.364 20 0 FGADRP CCc1nc(C)c([C@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CC[C@@H](O)C2)s1 ZINC000248449975 497015367 /nfs/dbraw/zinc/01/53/67/497015367.db2.gz OWLNFDXVJPWQED-KBXCAEBGSA-N 2 0 359.539 3.431 20 0 FGADRP CC[NH+](CC)C[C@H]1CCN(C[C@@H](O)COc2ccccc2C(F)(F)F)C1 ZINC000248451785 497015902 /nfs/dbraw/zinc/01/59/02/497015902.db2.gz JGIUAJALIGZXNM-HZPDHXFCSA-N 2 0 374.447 3.109 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc(NC(C)=O)cc2)[C@@H](C)C1 ZINC000248454607 497017227 /nfs/dbraw/zinc/01/72/27/497017227.db2.gz RBTGVCJTVDZCBB-FIKGOQFSSA-N 2 0 361.530 3.433 20 0 FGADRP COc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000248456094 497018090 /nfs/dbraw/zinc/01/80/90/497018090.db2.gz RYJLHEYKAXBVEG-NFBKMPQASA-N 2 0 366.505 3.429 20 0 FGADRP C(C[NH+]1CCC([C@@H]2CCCO2)CC1)C[NH+]1CCC([C@@H]2CCCO2)CC1 ZINC000189249229 497058474 /nfs/dbraw/zinc/05/84/74/497058474.db2.gz RSANAQPECWQCSU-SFTDATJTSA-N 2 0 350.547 3.159 20 0 FGADRP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)NC[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000248707255 497083787 /nfs/dbraw/zinc/08/37/87/497083787.db2.gz AZDPPZKOIIREEC-NHCUHLMSSA-N 2 0 372.557 3.024 20 0 FGADRP CC[NH+](CC)Cc1ccc(CNC(=O)NC[C@H](C)[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000226557650 497083844 /nfs/dbraw/zinc/08/38/44/497083844.db2.gz XQBPVHDRDDOCLM-MOPGFXCFSA-N 2 0 374.573 3.448 20 0 FGADRP CCN(CCC[NH+](C)C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000248710352 497084535 /nfs/dbraw/zinc/08/45/35/497084535.db2.gz PYVQPXFXAMSZML-ICSRJNTNSA-N 2 0 360.546 3.023 20 0 FGADRP CCN(CCC[NH+](C)C)C(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000248719186 497086553 /nfs/dbraw/zinc/08/65/53/497086553.db2.gz SDUGTPCSAKQQCL-FUHWJXTLSA-N 2 0 366.575 3.114 20 0 FGADRP Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@H]1N2C(=O)C1CC[NH+](C2CC2)CC1 ZINC000278390119 497098345 /nfs/dbraw/zinc/09/83/45/497098345.db2.gz ITUBEMIFWIHMPM-PZJWPPBQSA-N 2 0 353.510 3.004 20 0 FGADRP C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000248820737 497110535 /nfs/dbraw/zinc/11/05/35/497110535.db2.gz WTXPTVKLAVMVHW-BVJIBDCISA-N 2 0 355.526 3.229 20 0 FGADRP CC(C)[NH+]1CCN(C2CC[NH+](Cc3cnc(-c4ccco4)s3)CC2)CC1 ZINC000278440351 497115060 /nfs/dbraw/zinc/11/50/60/497115060.db2.gz LLVTVFWGHLTPRF-UHFFFAOYSA-N 2 0 374.554 3.394 20 0 FGADRP COC(=O)C1CCC([NH2+]Cc2ccccc2C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000192440621 497115452 /nfs/dbraw/zinc/11/54/52/497115452.db2.gz LUWCILSEOHNNMO-WVNPWQTNSA-N 2 0 374.525 3.117 20 0 FGADRP CC1CC[NH+]([C@H](CNC(=O)CCC2CC[NH2+]CC2)c2cccs2)CC1 ZINC000236659456 497128939 /nfs/dbraw/zinc/12/89/39/497128939.db2.gz NHGIXWYLNBSYHC-GOSISDBHSA-N 2 0 363.571 3.417 20 0 FGADRP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N(C)[C@@H]1CC[NH+](C)C[C@H]1C ZINC000249024567 497151504 /nfs/dbraw/zinc/15/15/04/497151504.db2.gz RFRHOUCZLYPLLU-HLAWJBBLSA-N 2 0 374.573 3.125 20 0 FGADRP Cc1cccc(OC[C@H](O)C[NH2+][C@@H]2CCN(C)[C@H](c3ccccc3)C2)c1 ZINC000569242990 505887820 /nfs/dbraw/zinc/88/78/20/505887820.db2.gz FVTPIUMUYVYPAF-SJBKTWHCSA-N 2 0 354.494 3.160 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)[C@H]1[NH2+]CCc2ccccc21)c1ccccc1 ZINC000236836498 497154586 /nfs/dbraw/zinc/15/45/86/497154586.db2.gz XPNNOECHQOYFHW-SFTDATJTSA-N 2 0 351.494 3.073 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCc3c(cccc3OC)C2)[C@@H](C)C1 ZINC000249059419 497156457 /nfs/dbraw/zinc/15/64/57/497156457.db2.gz PAKILKUYEVJOKF-DSKINZAPSA-N 2 0 360.542 3.279 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)C[C@H]([NH3+])c1ccccc1)c1cccc(OC)c1 ZINC000236877952 497161513 /nfs/dbraw/zinc/16/15/13/497161513.db2.gz ODWBINBIQAQRFC-LEWJYISDSA-N 2 0 369.509 3.284 20 0 FGADRP CCN(CCC[NH+](C)C)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000189563610 497163633 /nfs/dbraw/zinc/16/36/33/497163633.db2.gz MRXVUFSKMSLAFK-SEJPIABJSA-N 2 0 372.557 3.165 20 0 FGADRP CC[NH+](CC)Cc1ccccc1C[NH2+]Cc1cnc2c(c1)c(C)nn2C ZINC000236915475 497168728 /nfs/dbraw/zinc/16/87/28/497168728.db2.gz ZSICRSBAPSNISX-UHFFFAOYSA-N 2 0 351.498 3.408 20 0 FGADRP C[C@@H]1C[C@@H](NC(=O)C2CC[NH+](C3CC3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000192684971 497184716 /nfs/dbraw/zinc/18/47/16/497184716.db2.gz IGSTZVAKJPVUEE-XLIONFOSSA-N 2 0 355.526 3.030 20 0 FGADRP C[C@H]1C[C@H](NC(=O)C2CC[NH+](C3CC3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000192684959 497184956 /nfs/dbraw/zinc/18/49/56/497184956.db2.gz IGSTZVAKJPVUEE-FXAWDEMLSA-N 2 0 355.526 3.030 20 0 FGADRP COc1cccc(C2CC[NH+](CCCN3CC[NH+](C(C)C)CC3)CC2)c1 ZINC000192728268 497196724 /nfs/dbraw/zinc/19/67/24/497196724.db2.gz IJTFBYHKCXJNMM-UHFFFAOYSA-N 2 0 359.558 3.291 20 0 FGADRP C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)[C@H]([NH3+])c2ccccc2)CC1 ZINC000237192960 497203359 /nfs/dbraw/zinc/20/33/59/497203359.db2.gz SJVGBQJHNARPBY-OAQYLSRUSA-N 2 0 351.494 3.057 20 0 FGADRP C[C@@H](CC(=O)N1CCC(C[N@H+](C)Cc2ccccc2)CC1)C1CC[NH2+]CC1 ZINC000237345436 497222801 /nfs/dbraw/zinc/22/28/01/497222801.db2.gz GRAXTFOPDHNSQV-IBGZPJMESA-N 2 0 371.569 3.383 20 0 FGADRP C[C@H]([NH2+]CCCN1CC[N@H+](C)C[C@H]1c1ccccc1)c1cccc(O)c1 ZINC000249584894 497225487 /nfs/dbraw/zinc/22/54/87/497225487.db2.gz OCSPEMRDEAJQHJ-AVRDEDQJSA-N 2 0 353.510 3.422 20 0 FGADRP CC(C)Oc1ccccc1C[NH+]1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC000270953144 497232222 /nfs/dbraw/zinc/23/22/22/497232222.db2.gz TVUHIZHRSAGGNJ-UHFFFAOYSA-N 2 0 359.558 3.464 20 0 FGADRP CCN(CCC[NH+](C)C)C(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000189760996 497234838 /nfs/dbraw/zinc/23/48/38/497234838.db2.gz SDUGTPCSAKQQCL-AEFFLSMTSA-N 2 0 366.575 3.114 20 0 FGADRP C[C@H](C(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)[C@@H]([NH3+])c1ccccc1 ZINC000237444057 497238210 /nfs/dbraw/zinc/23/82/10/497238210.db2.gz VSJBNBJQPBCWBE-RCZSKKKRSA-N 2 0 365.521 3.003 20 0 FGADRP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@H]2[NH2+]CCc3ccccc32)CC1 ZINC000237455666 497240111 /nfs/dbraw/zinc/24/01/11/497240111.db2.gz YINFYBXZHDMEGL-VGSWGCGISA-N 2 0 363.505 3.215 20 0 FGADRP C[C@@H](CC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1)C1CC[NH2+]CC1 ZINC000237484873 497244912 /nfs/dbraw/zinc/24/49/12/497244912.db2.gz ZPRNOHZLYHYNBS-SFHVURJKSA-N 2 0 357.542 3.315 20 0 FGADRP c1ccc(C[N@H+]2CC[C@@H](C[NH2+]C3CCN(Cc4ccncc4)CC3)C2)cc1 ZINC000192926901 497248144 /nfs/dbraw/zinc/24/81/44/497248144.db2.gz YLUQSTKJLNDUCM-QFIPXVFZSA-N 2 0 364.537 3.158 20 0 FGADRP Cc1ccc(OC[C@H](O)CN2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)cc1 ZINC000250291330 497265296 /nfs/dbraw/zinc/26/52/96/497265296.db2.gz SQVCAGFEOFZCAY-LEWJYISDSA-N 2 0 360.542 3.179 20 0 FGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1CCCC[NH+]1Cc1ccccc1 ZINC000250777467 497269865 /nfs/dbraw/zinc/26/98/65/497269865.db2.gz VPBBOICFRQISAP-RTWAWAEBSA-N 2 0 357.542 3.420 20 0 FGADRP Cc1ccoc1C[NH2+]Cc1cccc(OCC[N@@H+](C)C2CCOCC2)c1 ZINC000266230996 497285033 /nfs/dbraw/zinc/28/50/33/497285033.db2.gz UOSNNUQOPIUXFG-UHFFFAOYSA-N 2 0 358.482 3.367 20 0 FGADRP CC(C)CC[N@@H+]1Cc2cccc(NC(=O)c3cc([C@H]4CC[NH2+]C4)[nH]n3)c2C1 ZINC000278993629 497294435 /nfs/dbraw/zinc/29/44/35/497294435.db2.gz LHWFORZUPXGUKL-HNNXBMFYSA-N 2 0 367.497 3.101 20 0 FGADRP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]C[C@H](O)Cc1ccccc1 ZINC000189954431 497304949 /nfs/dbraw/zinc/30/49/49/497304949.db2.gz KZKULHUHFXWAGW-WOIUINJBSA-N 2 0 352.522 3.336 20 0 FGADRP O=C(NCc1ccccc1C[NH+]1CCCCCC1)[C@@H]1CC12CC[NH2+]CC2 ZINC000238030138 497330723 /nfs/dbraw/zinc/33/07/23/497330723.db2.gz MJXZMVJEMPLEAA-FQEVSTJZSA-N 2 0 355.526 3.069 20 0 FGADRP O[C@H]1CC[N@H+](Cc2ccccc2C[NH2+][C@H]2CCCNc3ccccc32)C1 ZINC000193277518 497339300 /nfs/dbraw/zinc/33/93/00/497339300.db2.gz CRVOGKNFAADTKN-UGKGYDQZSA-N 2 0 351.494 3.290 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)CC[C@@H](C)[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000193305252 497344942 /nfs/dbraw/zinc/34/49/42/497344942.db2.gz FVZTYQAYYQOMFV-CJNGLKHVSA-N 2 0 359.436 3.332 20 0 FGADRP CC(=O)Nc1ccc(C[NH2+][C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000279212716 497369231 /nfs/dbraw/zinc/36/92/31/497369231.db2.gz YIBFROMDEBBCAO-UZLBHIALSA-N 2 0 352.482 3.040 20 0 FGADRP C[C@H](C(=O)NCC1CC[NH+](Cc2cccs2)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000245200994 497375756 /nfs/dbraw/zinc/37/57/56/497375756.db2.gz DUGSFWFELXPHPR-IXDOHACOSA-N 2 0 363.571 3.338 20 0 FGADRP C[C@H](C(=O)N1CCC(C)CC1)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000245443324 497410347 /nfs/dbraw/zinc/41/03/47/497410347.db2.gz IRDQWBANJOLTSI-TZIWHRDSSA-N 2 0 357.542 3.087 20 0 FGADRP CC[N@H+](C)C[C@H]1CCN(CC(=O)N(C)[C@H](C)c2ccc(Cl)cc2)C1 ZINC000245450953 497414618 /nfs/dbraw/zinc/41/46/18/497414618.db2.gz PBGIHKHRNBQCLJ-HZPDHXFCSA-N 2 0 351.922 3.133 20 0 FGADRP Clc1ccc(OCCN2CC[C@H]3C[NH2+]C[C@H]3C2)c(Br)c1 ZINC000261672336 497430570 /nfs/dbraw/zinc/43/05/70/497430570.db2.gz GAOVXWRQSKGACO-RYUDHWBXSA-N 2 0 359.695 3.023 20 0 FGADRP C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)N1CC[C@](C)(C[NH3+])C1 ZINC000261802552 497454384 /nfs/dbraw/zinc/45/43/84/497454384.db2.gz VZITUONWKRYWGS-IIBYNOLFSA-N 2 0 353.466 3.477 20 0 FGADRP CC[NH+](CC)[C@H](C(=O)N1C[C@@H](C[NH3+])C[C@H]1C)c1cccc(C(F)(F)F)c1 ZINC000261816473 497456259 /nfs/dbraw/zinc/45/62/59/497456259.db2.gz NCPKXCGQRCBQPW-CPUCHLNUSA-N 2 0 371.447 3.284 20 0 FGADRP C[NH2+]CCC1CC[NH+](CC(=O)N(C)[C@H](C)c2ccc(Cl)cc2)CC1 ZINC000261972225 497484925 /nfs/dbraw/zinc/48/49/25/497484925.db2.gz DNNMNXICDDYXKQ-OAHLLOKOSA-N 2 0 351.922 3.181 20 0 FGADRP Cc1ncsc1CN(C)C[C@H]1CC[N@H+](Cc2ccc3c[nH]nc3c2)C1 ZINC000190456582 497485684 /nfs/dbraw/zinc/48/56/84/497485684.db2.gz XEYFURRSOVBCRY-MRXNPFEDSA-N 2 0 355.511 3.282 20 0 FGADRP CC[NH2+]CC1CC[NH+](Cc2cc3c(cc2Br)OCCO3)CC1 ZINC000262044319 497497400 /nfs/dbraw/zinc/49/74/00/497497400.db2.gz CFIVDLLZMPVKDF-UHFFFAOYSA-N 2 0 369.303 3.042 20 0 FGADRP c1ccc(Sc2ccc(C[N@@H+]3CC[C@@H](N4CC[NH2+]CC4)C3)cc2)cc1 ZINC000262123458 497512423 /nfs/dbraw/zinc/51/24/23/497512423.db2.gz MMVIJPUXDWFDGN-LJQANCHMSA-N 2 0 353.535 3.317 20 0 FGADRP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]CCCOC[C@@H]2CCOC2)C3)cc1 ZINC000245717295 497513918 /nfs/dbraw/zinc/51/39/18/497513918.db2.gz OFAUYXBMWHFLRH-KJJMTIBFSA-N 2 0 358.526 3.215 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@H](O)c2ccc(F)cc2Cl)[C@H](C)C1 ZINC000276279231 497534613 /nfs/dbraw/zinc/53/46/13/497534613.db2.gz UABAXDJNDMIXRY-MDASCCDHSA-N 2 0 372.912 3.239 20 0 FGADRP C[C@@H]([NH2+]C1(CNC(=O)c2csc(CC[NH3+])n2)CCCC1)c1ccccc1 ZINC000262319107 497539499 /nfs/dbraw/zinc/53/94/99/497539499.db2.gz CBWSUJKYMYWEFU-OAHLLOKOSA-N 2 0 372.538 3.038 20 0 FGADRP C[NH+]1CCN(C[C@H]([NH2+][C@H]2CCCc3ccc(O)cc32)c2ccccc2)CC1 ZINC000569344785 505912932 /nfs/dbraw/zinc/91/29/32/505912932.db2.gz CDBJLFHYFAKEBB-GOTSBHOMSA-N 2 0 365.521 3.348 20 0 FGADRP C[NH+]1CCN(C[C@@H]([NH2+][C@H]2CCCc3ccc(O)cc32)c2ccccc2)CC1 ZINC000569344787 505913023 /nfs/dbraw/zinc/91/30/23/505913023.db2.gz CDBJLFHYFAKEBB-XZOQPEGZSA-N 2 0 365.521 3.348 20 0 FGADRP COCC1(C(=O)Nc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)CC[NH2+]CC1 ZINC000262432447 497556077 /nfs/dbraw/zinc/55/60/77/497556077.db2.gz WTHITUKNFWQRSJ-KRWDZBQOSA-N 2 0 359.514 3.016 20 0 FGADRP C[C@@H]1C[NH+](CCC2CC[NH+](C[C@H](O)CC3CCCC3)CC2)C[C@@H](C)O1 ZINC000190651645 497560636 /nfs/dbraw/zinc/56/06/36/497560636.db2.gz QLKUOURNUNAYQG-DBXWQHBBSA-N 2 0 352.563 3.139 20 0 FGADRP C[C@@H]([NH2+]Cc1ccc(-n2cncn2)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272209562 497565221 /nfs/dbraw/zinc/56/52/21/497565221.db2.gz PXQPGIXQFQDDOF-NQIIRXRSSA-N 2 0 361.493 3.268 20 0 FGADRP C[NH+](Cc1ccccc1C[N@H+](C)C[C@H]1CCCOC1)C[C@@H]1CCCOC1 ZINC000245906879 497566831 /nfs/dbraw/zinc/56/68/31/497566831.db2.gz IISXKCWFAUOIPJ-BGYRXZFFSA-N 2 0 360.542 3.403 20 0 FGADRP Cc1ccc([C@@H]([NH3+])C(=O)Nc2cccc(C[NH+]3CCSCC3)c2C)cc1 ZINC000262622068 497585075 /nfs/dbraw/zinc/58/50/75/497585075.db2.gz FGSDJNGPNUHUJA-HXUWFJFHSA-N 2 0 369.534 3.491 20 0 FGADRP COC[C@@H]([NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(F)c(F)c1 ZINC000246002819 497594578 /nfs/dbraw/zinc/59/45/78/497594578.db2.gz GPDCODMUXAYVQU-ZRGWGRIASA-N 2 0 356.457 3.131 20 0 FGADRP C[C@H](CC(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1)[C@H]1CCC[NH2+]C1 ZINC000262684286 497599823 /nfs/dbraw/zinc/59/98/23/497599823.db2.gz ZTVAHEAKURNAJS-HBFSDRIKSA-N 2 0 357.542 3.354 20 0 FGADRP COc1cc(C[NH2+]CC2(C)CC[NH+](C)CC2)ccc1OCc1ccncc1 ZINC000272412299 497621574 /nfs/dbraw/zinc/62/15/74/497621574.db2.gz CEJLQZRVWGUKNV-UHFFFAOYSA-N 2 0 369.509 3.491 20 0 FGADRP Cc1ccc([C@H](CNC(=O)N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)[NH+]2CCCC2)cc1 ZINC000246140243 497634488 /nfs/dbraw/zinc/63/44/88/497634488.db2.gz BVPHLAZSXDOSIV-QFUCXCTJSA-N 2 0 370.541 3.056 20 0 FGADRP C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)[C@](C)([NH3+])c2ccccc2)C1 ZINC000262870857 497643544 /nfs/dbraw/zinc/64/35/44/497643544.db2.gz MHQWAUSXDJMSLW-FDDCHVKYSA-N 2 0 365.521 3.409 20 0 FGADRP CC[N@H+](CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1)[C@H](C)C(C)C ZINC000194406869 497656236 /nfs/dbraw/zinc/65/62/36/497656236.db2.gz RBDFTLZRRPLLGS-LJQANCHMSA-N 2 0 359.558 3.442 20 0 FGADRP CC[N@H+](C)Cc1cccc(CNC(=O)N(CC[NH+](C)C)Cc2ccco2)c1 ZINC000268020489 497660456 /nfs/dbraw/zinc/66/04/56/497660456.db2.gz VOMFKHWMPTWPLD-UHFFFAOYSA-N 2 0 372.513 3.005 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)NCCCC[NH+]2CCCC2)C1 ZINC000246283238 497683740 /nfs/dbraw/zinc/68/37/40/497683740.db2.gz CHHSSNKOXHKRAH-WOJBJXKFSA-N 2 0 364.578 3.158 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@H](C(C)C)[NH+]2CCC(C)CC2)[C@H](C)C1 ZINC000246392177 497718297 /nfs/dbraw/zinc/71/82/97/497718297.db2.gz JEQVRXKEUOBWSA-HSALFYBXSA-N 2 0 366.594 3.115 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NCC[C@H](C)[NH+](C)Cc2ccccc2)[C@@H](C)C1 ZINC000246397983 497720755 /nfs/dbraw/zinc/72/07/55/497720755.db2.gz JTRWKLKAUBCCDC-ZJOUEHCJSA-N 2 0 374.573 3.269 20 0 FGADRP O=C1CCCN1c1ccc(C[NH2+]C2CCN(CCC(F)(F)F)CC2)cc1 ZINC000272759384 497722892 /nfs/dbraw/zinc/72/28/92/497722892.db2.gz VIRLXEZFCBRMAN-UHFFFAOYSA-N 2 0 369.431 3.320 20 0 FGADRP C[C@@]1([NH3+])CCCC[C@@H]1C(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000263223033 497736877 /nfs/dbraw/zinc/73/68/77/497736877.db2.gz MEYQEOQFZBWGRG-UYAOXDASSA-N 2 0 363.933 3.328 20 0 FGADRP C[C@@]1([NH3+])CCCC[C@H]1C(=O)N1CCCN(Cc2ccc(Cl)cc2)CC1 ZINC000263237867 497739675 /nfs/dbraw/zinc/73/96/75/497739675.db2.gz OGSZMGDNABTYGQ-AZUAARDMSA-N 2 0 363.933 3.282 20 0 FGADRP COc1ccccc1[C@@H](C)NC(=O)[C@H](C)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000194736094 497753554 /nfs/dbraw/zinc/75/35/54/497753554.db2.gz MUALVSQKLLAFPU-MSOLQXFVSA-N 2 0 373.541 3.069 20 0 FGADRP COc1ccccc1[C@H](C)NC(=O)[C@@H](C)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000194736054 497753952 /nfs/dbraw/zinc/75/39/52/497753952.db2.gz MUALVSQKLLAFPU-ZWKOTPCHSA-N 2 0 373.541 3.069 20 0 FGADRP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000246520460 497761210 /nfs/dbraw/zinc/76/12/10/497761210.db2.gz XIUARTCRGLFKJX-LEWJYISDSA-N 2 0 372.557 3.339 20 0 FGADRP CC(C)[C@H](NC(=O)CN1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)c1ccccc1 ZINC000246567096 497776346 /nfs/dbraw/zinc/77/63/46/497776346.db2.gz LGRNIWPLSVYCLM-WPYKKVEZSA-N 2 0 369.553 3.449 20 0 FGADRP C[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1)c1ccccc1F ZINC000246566573 497776936 /nfs/dbraw/zinc/77/69/36/497776936.db2.gz LJQZWNZCYLIHBX-QFBILLFUSA-N 2 0 369.484 3.374 20 0 FGADRP C[C@H](NC(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1)C1=CC[N@H+](C)CC1 ZINC000272995204 497780656 /nfs/dbraw/zinc/78/06/56/497780656.db2.gz QPHYZUMAMRAXIV-SFHVURJKSA-N 2 0 370.541 3.487 20 0 FGADRP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C[C@@H]([NH3+])c1ccccc1 ZINC000246579363 497780719 /nfs/dbraw/zinc/78/07/19/497780719.db2.gz SBBPGSYGNYDTRT-IFMALSPDSA-N 2 0 365.521 3.447 20 0 FGADRP C(CC[NH+]1CC[C@@H]2OCCC[C@@H]2C1)CC[N@@H+]1CC[C@@H]2OCCC[C@H]2C1 ZINC000246642203 497793302 /nfs/dbraw/zinc/79/33/02/497793302.db2.gz KWEAVQBQIPMYGR-WOZUAGRISA-N 2 0 350.547 3.159 20 0 FGADRP O=C([C@H]1CCC[N@H+](Cc2ccccc2)C1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000246717835 497803839 /nfs/dbraw/zinc/80/38/39/497803839.db2.gz UQYFJQSNYSKUGF-FCHUYYIVSA-N 2 0 369.553 3.376 20 0 FGADRP Cc1ccc(NC(=O)CN(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c(Br)c1 ZINC000246747676 497807500 /nfs/dbraw/zinc/80/75/00/497807500.db2.gz NBHAVKTXEXBRHH-UONOGXRCSA-N 2 0 368.319 3.111 20 0 FGADRP CCC(CC)[C@H](CNC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1)[NH+]1CCCC1 ZINC000246825962 497814127 /nfs/dbraw/zinc/81/41/27/497814127.db2.gz JYBYHTBUWHCISD-UFYCRDLUSA-N 2 0 364.578 3.013 20 0 FGADRP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)NC[C@H]1CCC[NH+](C)C1 ZINC000246860780 497817370 /nfs/dbraw/zinc/81/73/70/497817370.db2.gz CHUWHZFMXMZTSX-RBUKOAKNSA-N 2 0 372.557 3.202 20 0 FGADRP CC[C@H]([NH2+]CC1(SC)CC[NH+](C)CC1)c1ccc2c(c1)OCCO2 ZINC000572291942 505934584 /nfs/dbraw/zinc/93/45/84/505934584.db2.gz JUWLWGYAYSCWMA-INIZCTEOSA-N 2 0 350.528 3.326 20 0 FGADRP CC(C)(C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)[C@H]([NH3+])c1ccccc1 ZINC000569452760 505939237 /nfs/dbraw/zinc/93/92/37/505939237.db2.gz QVPRCIXSNYFZHA-LEWJYISDSA-N 2 0 365.521 3.493 20 0 FGADRP CC[NH+]1CCC(CC[NH2+]C[C@@H](O)CO[C@H](C)c2ccc(Cl)cc2)CC1 ZINC000578435517 505939411 /nfs/dbraw/zinc/93/94/11/505939411.db2.gz FYGQRFCMFIWOLN-OXQOHEQNSA-N 2 0 368.949 3.490 20 0 FGADRP CC[C@H](NC(=O)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1)c1ccc(C)cc1 ZINC000364279995 497877151 /nfs/dbraw/zinc/87/71/51/497877151.db2.gz GVNZFLMTTHUNRF-SFTDATJTSA-N 2 0 372.557 3.256 20 0 FGADRP CN(Cc1cscn1)Cc1cccc(NC(=O)[C@]23CCC[C@@H]2C[NH2+]C3)c1 ZINC000280800501 497903717 /nfs/dbraw/zinc/90/37/17/497903717.db2.gz KNBGUPAXNZCZBB-UZLBHIALSA-N 2 0 370.522 3.103 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1cn(-c2ccccc2)nc1C ZINC000578470371 505947137 /nfs/dbraw/zinc/94/71/37/505947137.db2.gz BVCKQKHOJLCFPA-JOCHJYFZSA-N 2 0 369.557 3.029 20 0 FGADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+][C@@H]1CCc2nc(-c3ccc(F)cc3F)cn2C1 ZINC000575242584 505949953 /nfs/dbraw/zinc/94/99/53/505949953.db2.gz VFXZGOCMBSCHLH-OLMNPRSZSA-N 2 0 360.452 3.393 20 0 FGADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+][C@@H]1CCc2nc(-c3ccc(F)cc3F)cn2C1 ZINC000575242586 505950044 /nfs/dbraw/zinc/95/00/44/505950044.db2.gz VFXZGOCMBSCHLH-ZTFGCOKTSA-N 2 0 360.452 3.393 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)NC1(C)CC[NH2+]CC1 ZINC000581299455 505955369 /nfs/dbraw/zinc/95/53/69/505955369.db2.gz QPMPSAGUDVNGQX-QGZVFWFLSA-N 2 0 358.530 3.002 20 0 FGADRP C[C@H](c1ccc(-n2ccnc2)cc1)[N@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1 ZINC000296265441 497976517 /nfs/dbraw/zinc/97/65/17/497976517.db2.gz DLJVHVFJLAILHA-ZIFCJYIRSA-N 2 0 360.461 3.214 20 0 FGADRP C[C@@H]1C[N@@H+](CCCCNC(=O)CC[C@H]([NH3+])CC2CCCCC2)C[C@H](C)O1 ZINC000575319208 505960842 /nfs/dbraw/zinc/96/08/42/505960842.db2.gz MAXGZFSQNAWQEM-NSHGMRRFSA-N 2 0 367.578 3.070 20 0 FGADRP C[C@@H](C[NH3+])C(=O)NCc1ccccc1-c1ccc(C[NH+]2CCCC2)cc1 ZINC000569571190 505967035 /nfs/dbraw/zinc/96/70/35/505967035.db2.gz DRLJLACDCCECRL-KRWDZBQOSA-N 2 0 351.494 3.160 20 0 FGADRP CC1(C)C[NH2+]CC[C@H]1NCc1nc(-c2cccc(Br)c2)c[nH]1 ZINC000581357657 505969819 /nfs/dbraw/zinc/96/98/19/505969819.db2.gz VHPQWAGLXOPTJR-OAHLLOKOSA-N 2 0 363.303 3.317 20 0 FGADRP CC(C)[NH+]1CCC([NH2+]CCC(=O)Nc2cccc(Br)c2)CC1 ZINC000575377410 505970025 /nfs/dbraw/zinc/97/00/25/505970025.db2.gz PQUGFXBPDRIYMO-UHFFFAOYSA-N 2 0 368.319 3.240 20 0 FGADRP Cc1ccncc1CCC[NH2+][C@@H](C)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000289308528 498099048 /nfs/dbraw/zinc/09/90/48/498099048.db2.gz RUQTVYKMNHIOBK-KRWDZBQOSA-N 2 0 367.493 3.331 20 0 FGADRP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000364767641 498133595 /nfs/dbraw/zinc/13/35/95/498133595.db2.gz BOSMWSVQTVGLSK-JRGCBEDISA-N 2 0 370.541 3.138 20 0 FGADRP C[C@H]([NH2+][C@@H]1CCC(=O)N[C@H]1C(C)(C)C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000285616823 498148257 /nfs/dbraw/zinc/14/82/57/498148257.db2.gz JMAGRZWBBMDALH-HKJQZYRSSA-N 2 0 357.542 3.180 20 0 FGADRP CC[C@H](CNC(=O)N[C@@H]1C[C@@H](C)n2ccnc21)[N@@H+]1CCc2ccccc2C1 ZINC000569665092 505987764 /nfs/dbraw/zinc/98/77/64/505987764.db2.gz CSAQTNPWEIJHKB-ATZDWAIDSA-N 2 0 367.497 3.025 20 0 FGADRP COc1cccc(NC(=O)[C@@H](c2ccccc2)[NH+]2CCC([C@@H](C)[NH3+])CC2)c1 ZINC000578652618 505990164 /nfs/dbraw/zinc/99/01/64/505990164.db2.gz JOWIVMQLDPGVNE-IIBYNOLFSA-N 2 0 367.493 3.434 20 0 FGADRP C[C@@H]1CCN(C(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)C[C@@H]1C[NH3+] ZINC000569676634 505990597 /nfs/dbraw/zinc/99/05/97/505990597.db2.gz ZHAJROGUIVAXPE-NQIIRXRSSA-N 2 0 372.557 3.189 20 0 FGADRP CCC[N@@H+]1CC[C@@H](C[NH2+]C[C@H](O)COc2cc(Cl)ccc2Cl)C1 ZINC000569686285 505993702 /nfs/dbraw/zinc/99/37/02/505993702.db2.gz JNERRXKQMJFYOE-ZFWWWQNUSA-N 2 0 361.313 3.055 20 0 FGADRP Cc1cc(N[C@H](CN2CC[NH+](C)CC2)c2ccccc2)nc(C(C)C)n1 ZINC000301641087 498202212 /nfs/dbraw/zinc/20/22/12/498202212.db2.gz MGHHIVWVTQSLKJ-LJQANCHMSA-N 2 0 353.514 3.309 20 0 FGADRP C[N@@H+]1CCC[C@]2(CC[NH+](CCc3nc(-c4ccc(Cl)cc4)no3)C2)C1 ZINC000292950714 498207609 /nfs/dbraw/zinc/20/76/09/498207609.db2.gz KPRYCIAWUBAILO-IBGZPJMESA-N 2 0 360.889 3.350 20 0 FGADRP C[N@@H+]1CCC[C@H](CNC(=O)CCCC[NH3+])[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000581486897 505999599 /nfs/dbraw/zinc/99/95/99/505999599.db2.gz INBXPRHVAXFWSU-CRAIPNDOSA-N 2 0 371.447 3.334 20 0 FGADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H](Cc1ccncc1)c1ccc(OC)cc1 ZINC000285937681 498247245 /nfs/dbraw/zinc/24/72/45/498247245.db2.gz FPAVTPFVUNPKCV-FCHUYYIVSA-N 2 0 371.525 3.320 20 0 FGADRP C[C@H](CC(=O)N1CCCC[C@@H]1[C@@H](C[NH3+])Cc1ccccc1)C1CC[NH2+]CC1 ZINC000364999131 498248022 /nfs/dbraw/zinc/24/80/22/498248022.db2.gz DIILNRYDPARLFQ-STZQEDGTSA-N 2 0 371.569 3.211 20 0 FGADRP CC(C)n1ncnc1CN1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000365013563 498254669 /nfs/dbraw/zinc/25/46/69/498254669.db2.gz AJDCYURRKQJRRV-UHFFFAOYSA-N 2 0 353.514 3.347 20 0 FGADRP Cc1[nH+]c2ccc(Br)cc2c(NC[C@](C)(O)C[NH+](C)C)c1C ZINC000301782934 498262321 /nfs/dbraw/zinc/26/23/21/498262321.db2.gz TWESWNJEJCKQIX-KRWDZBQOSA-N 2 0 366.303 3.339 20 0 FGADRP c1c[nH]c([C@@H](NC[C@@H]2CCC[N@H+]2CCc2ccccc2)c2ccncc2)n1 ZINC000365062837 498279139 /nfs/dbraw/zinc/27/91/39/498279139.db2.gz APHVFIKPSXKFLE-SFTDATJTSA-N 2 0 361.493 3.191 20 0 FGADRP CCn1ccnc1[C@H]1OCC[C@@H]1[NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000289799201 498298679 /nfs/dbraw/zinc/29/86/79/498298679.db2.gz SFKRKEFFPMAKGP-HZEGPAAWSA-N 2 0 368.525 3.233 20 0 FGADRP C[N@@H+]1C[C@@H]2C[NH+](Cc3ccc(-n4cncn4)cc3)C[C@@H]2[C@@H]1c1ccccc1 ZINC000360790456 498308617 /nfs/dbraw/zinc/30/86/17/498308617.db2.gz GZVORPGPMSSBFW-HJNYFJLDSA-N 2 0 359.477 3.002 20 0 FGADRP C[C@H]([NH2+]CC1CCC2(CC1)OCCO2)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000365204407 498350051 /nfs/dbraw/zinc/35/00/51/498350051.db2.gz QGVUVHCIPMVWSW-GHTZIAJQSA-N 2 0 358.526 3.420 20 0 FGADRP C[C@H]([NH2+][C@H]1CCCO[C@@H]1c1cnn(C)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000289931868 498357090 /nfs/dbraw/zinc/35/70/90/498357090.db2.gz YYQHILXDSZZQSS-OZROYSPXSA-N 2 0 368.525 3.140 20 0 FGADRP O[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]C/C=C/c2ccc(F)c(F)c2)CC1 ZINC000286345683 498371539 /nfs/dbraw/zinc/37/15/39/498371539.db2.gz FHVLDCVZMSHGLT-YIYNPQHWSA-N 2 0 350.453 3.336 20 0 FGADRP CCn1ccnc1[C@H]1CCCCN1C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000282063714 498374762 /nfs/dbraw/zinc/37/47/62/498374762.db2.gz UUHQQZGCNNLGBW-LJQANCHMSA-N 2 0 369.513 3.401 20 0 FGADRP Fc1ccc(C[N@@H+]2CCC3(C2)CC[NH+](Cc2ccc(F)cn2)CC3)nc1 ZINC000365295492 498391867 /nfs/dbraw/zinc/39/18/67/498391867.db2.gz XTSCEHJJQCCTAM-UHFFFAOYSA-N 2 0 358.436 3.243 20 0 FGADRP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)NCC[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000569846273 506029665 /nfs/dbraw/zinc/02/96/65/506029665.db2.gz HQDQXWGNNBYNQP-OALUTQOASA-N 2 0 372.557 3.243 20 0 FGADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000297344676 498413833 /nfs/dbraw/zinc/41/38/33/498413833.db2.gz HLTLKEBMBVPYET-QFIPXVFZSA-N 2 0 372.557 3.154 20 0 FGADRP Cn1c(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)nc2cccc(Cl)c21 ZINC000297347914 498414451 /nfs/dbraw/zinc/41/44/51/498414451.db2.gz DYZULRHXXUDODB-UHFFFAOYSA-N 2 0 355.873 3.380 20 0 FGADRP C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNc2cc[nH+]cc2C(N)=O)C1 ZINC000302207891 498442662 /nfs/dbraw/zinc/44/26/62/498442662.db2.gz FKOHBKSMESMPBA-HOTGVXAUSA-N 2 0 352.482 3.271 20 0 FGADRP CC(=O)Nc1ccc([C@H](C)[NH2+]Cc2ccncc2OCCC[NH+](C)C)cc1 ZINC000290196441 498459991 /nfs/dbraw/zinc/45/99/91/498459991.db2.gz GILXIGNBLPOVOX-INIZCTEOSA-N 2 0 370.497 3.221 20 0 FGADRP C[NH+]1CCN(C[C@@H]2CCC[N@H+](Cc3ccc(C(F)(F)F)cc3)C2)CC1 ZINC000362420327 498514101 /nfs/dbraw/zinc/51/41/01/498514101.db2.gz WTTHSICGYCRYIO-KRWDZBQOSA-N 2 0 355.448 3.165 20 0 FGADRP CCN(CC)C(=O)c1ccc(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000297669927 498531815 /nfs/dbraw/zinc/53/18/15/498531815.db2.gz OMRNSJBMRPCJFM-UHFFFAOYSA-N 2 0 366.509 3.322 20 0 FGADRP CCCn1c(C[NH+]2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)nc2ccccc21 ZINC000569941950 506053363 /nfs/dbraw/zinc/05/33/63/506053363.db2.gz IALWZOPOMPHRCN-PXNSSMCTSA-N 2 0 356.514 3.165 20 0 FGADRP NC(=O)C1CC[NH+](Cc2ccc(C[NH2+][C@H]3CCC34CCCC4)cc2)CC1 ZINC000576009284 506055290 /nfs/dbraw/zinc/05/52/90/506055290.db2.gz CZRZESDSXRJMAC-FQEVSTJZSA-N 2 0 355.526 3.196 20 0 FGADRP C[C@@H](NC(=O)N(C)CCC[NH+]1CCCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000282592202 498573163 /nfs/dbraw/zinc/57/31/63/498573163.db2.gz LUQOXBJIMKWFBO-CTNGQTDRSA-N 2 0 372.557 3.024 20 0 FGADRP C[C@@H](CC[NH2+]C[C@@H](O)Cc1ccccc1C(F)(F)F)[NH+]1CCCCC1 ZINC000569961185 506057159 /nfs/dbraw/zinc/05/71/59/506057159.db2.gz ADBOSMJQFJZUNH-RDJZCZTQSA-N 2 0 358.448 3.463 20 0 FGADRP Cc1nccn1CCC[N@@H+](C)Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000290620614 498621729 /nfs/dbraw/zinc/62/17/29/498621729.db2.gz XGENPKMSDUXWOA-UHFFFAOYSA-N 3 0 369.557 3.244 20 0 FGADRP CO[C@H](c1ccccc1)[C@@H](C)[NH2+][C@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000569994367 506064208 /nfs/dbraw/zinc/06/42/08/506064208.db2.gz ZDWQFFQIELBURS-PTUXOGIPSA-N 2 0 367.537 3.341 20 0 FGADRP C[C@@H](CNC(=O)NCCCC[N@@H+]1CCCC[C@@H]1C)[NH+]1CCC(C)CC1 ZINC000302959683 498634135 /nfs/dbraw/zinc/63/41/35/498634135.db2.gz FUVKUXWZVYJIGW-OALUTQOASA-N 2 0 352.567 3.061 20 0 FGADRP CCS(=O)(=O)c1ccc([C@H](C)[NH2+]C2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000298008978 498636889 /nfs/dbraw/zinc/63/68/89/498636889.db2.gz CABXHCZXMUDFIA-INIZCTEOSA-N 2 0 373.522 3.195 20 0 FGADRP C[C@@H]1CCC[C@](CNC(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)([NH+](C)C)C1 ZINC000303027041 498641707 /nfs/dbraw/zinc/64/17/07/498641707.db2.gz SMBDCPJETQYRGQ-DYXWJJEUSA-N 2 0 366.594 3.451 20 0 FGADRP C[C@@H](CNC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1)C[NH+]1CCCCC1 ZINC000303064437 498644392 /nfs/dbraw/zinc/64/43/92/498644392.db2.gz YKNSLHFGPCKUPE-FPOVZHCZSA-N 2 0 357.542 3.137 20 0 FGADRP COc1ccc([C@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H]2CO)cc1O ZINC000290819170 498689025 /nfs/dbraw/zinc/68/90/25/498689025.db2.gz WWKDBELBKWNXEQ-OXJNMPFZSA-N 2 0 370.493 3.208 20 0 FGADRP CC(C)C[C@H](NC(=O)C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1)c1ccccc1 ZINC000570045373 506076951 /nfs/dbraw/zinc/07/69/51/506076951.db2.gz BIOBNNRUDGBCRK-RTWAWAEBSA-N 2 0 357.542 3.212 20 0 FGADRP CN(C(=O)c1ccccc1C[NH+](C)C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000365966178 498715732 /nfs/dbraw/zinc/71/57/32/498715732.db2.gz XUELDUOAAOFERY-UHFFFAOYSA-N 2 0 365.521 3.485 20 0 FGADRP C[N@@H+]1CC[C@H](CNC(=O)CC2CC[NH+](C)CC2)[C@H]1c1cccc(Cl)c1 ZINC000365967034 498716586 /nfs/dbraw/zinc/71/65/86/498716586.db2.gz GASHZTWOVBCMDM-YLJYHZDGSA-N 2 0 363.933 3.181 20 0 FGADRP Cc1cc(C)c(CNC(=O)N[C@H]2CCN(C)[C@@H]2c2ccc(F)c(F)c2)cn1 ZINC000576113131 506080268 /nfs/dbraw/zinc/08/02/68/506080268.db2.gz TXBJVEBSTPRQSI-RBUKOAKNSA-N 2 0 374.435 3.221 20 0 FGADRP CC(C)c1ccc2c(c1)[C@H]([NH2+][C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)CCC2 ZINC000576146840 506087419 /nfs/dbraw/zinc/08/74/19/506087419.db2.gz GHXHEQHYPNWGQG-XPNTWCBSSA-N 2 0 369.553 3.424 20 0 FGADRP CO[C@@H]1CC[N@H+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)CC1(C)C ZINC000294714155 498780616 /nfs/dbraw/zinc/78/06/16/498780616.db2.gz CAXOSLFKBLDQHJ-OAQYLSRUSA-N 2 0 359.558 3.464 20 0 FGADRP O=C(Nc1ccc(CC[NH+]2CCCCC2)cc1)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000363373021 498785334 /nfs/dbraw/zinc/78/53/34/498785334.db2.gz AVUHHLGMTBOTGS-NHCUHLMSSA-N 2 0 370.541 3.463 20 0 FGADRP C[C@H](C[NH2+][C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@@H]1C)Oc1ccccc1F ZINC000366212148 498826462 /nfs/dbraw/zinc/82/64/62/498826462.db2.gz UKNHSOXZBXVJIJ-DODZYUBVSA-N 2 0 350.478 3.072 20 0 FGADRP O=C(c1ccccc1Cl)N1CCC([NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000366260544 498848051 /nfs/dbraw/zinc/84/80/51/498848051.db2.gz RXYGZOYFNZZZPH-DLBZAZTESA-N 2 0 361.917 3.161 20 0 FGADRP Cn1c2ccc(C[NH2+]C[C@H]3CC[N@H+](C)[C@@H]3c3cccs3)cc2sc1=O ZINC000366275130 498852955 /nfs/dbraw/zinc/85/29/55/498852955.db2.gz ARPZSJMBIVNUHC-KDOFPFPSSA-N 2 0 373.547 3.444 20 0 FGADRP COc1cccc(C[N@@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)c1OC(F)F ZINC000581971262 506102586 /nfs/dbraw/zinc/10/25/86/506102586.db2.gz OOJXTJMCAFDIEL-HNNXBMFYSA-N 2 0 354.441 3.460 20 0 FGADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+][C@H]3CCO[C@@H](c4cncn4C)C3)CC2)C1 ZINC000328630303 498882007 /nfs/dbraw/zinc/88/20/07/498882007.db2.gz JFDOLJWSLMVYCJ-BOFXEDATSA-N 2 0 360.546 3.273 20 0 FGADRP C[C@H](NCc1ncc(C(F)(F)F)cn1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000295040314 498889169 /nfs/dbraw/zinc/88/91/69/498889169.db2.gz ORURJRCVTKOSTA-GOEBONIOSA-N 2 0 364.415 3.496 20 0 FGADRP CC(C)(CNC(=O)Nc1ccc2c(c1)C[NH2+]C2)[N@@H+]1CCc2ccccc2C1 ZINC000581991702 506108146 /nfs/dbraw/zinc/10/81/46/506108146.db2.gz YBYHNVGQXVNMCF-UHFFFAOYSA-N 2 0 364.493 3.248 20 0 FGADRP CN1CCC([NH+]2CCC(CC[NH2+]Cc3c(F)cccc3F)CC2)CC1 ZINC000363663776 498930474 /nfs/dbraw/zinc/93/04/74/498930474.db2.gz VADJGZACZIWZDA-UHFFFAOYSA-N 2 0 351.485 3.251 20 0 FGADRP Fc1ccc([C@H]2OCC[C@H]2[NH2+]C2CCN(c3cc[nH+]cc3)CC2)cc1F ZINC000291422624 498934280 /nfs/dbraw/zinc/93/42/80/498934280.db2.gz ICWXHUFJQAKCOL-WOJBJXKFSA-N 2 0 359.420 3.448 20 0 FGADRP CC(C)[C@@H](CNC(=O)NCc1ccc2c[nH+]cn2c1)[NH+]1CCCCCC1 ZINC000573080855 506114406 /nfs/dbraw/zinc/11/44/06/506114406.db2.gz WISJPUGTTRHIMD-LJQANCHMSA-N 2 0 357.502 3.034 20 0 FGADRP COc1cccc(C[C@@H](C)[NH2+]C[C@@H](O)Cn2cnc3cc(C)c(C)cc32)c1 ZINC000576271797 506118296 /nfs/dbraw/zinc/11/82/96/506118296.db2.gz JYRCMWGMSWPMHT-IEBWSBKVSA-N 2 0 367.493 3.243 20 0 FGADRP C[NH+]1CCC2(CC1)C[C@@H]([NH2+]CCCC[NH+]1CCCC1)c1ccccc1O2 ZINC000366522211 498964306 /nfs/dbraw/zinc/96/43/06/498964306.db2.gz MMAYBFZOWUXUOY-HXUWFJFHSA-N 3 0 357.542 3.440 20 0 FGADRP C[C@H]([NH2+][C@H]1CCC[C@H]([NH3+])C1)c1ccc(Br)cc1OCCCO ZINC000573106519 506119914 /nfs/dbraw/zinc/11/99/14/506119914.db2.gz LEJANZZRZNHUEJ-QEJZJMRPSA-N 2 0 371.319 3.131 20 0 FGADRP Cc1ccc(NC(=O)CC[NH2+]CC2CC[NH+](Cc3cccs3)CC2)nc1 ZINC000573111028 506121468 /nfs/dbraw/zinc/12/14/68/506121468.db2.gz KOSWQEQJBMOUFJ-UHFFFAOYSA-N 2 0 372.538 3.282 20 0 FGADRP COc1cc(C[NH2+][C@H](C)C[C@H](C)[NH3+])cc(OC)c1OCc1ccccc1 ZINC000582062760 506124764 /nfs/dbraw/zinc/12/47/64/506124764.db2.gz ZVDDSOPVOLLVCL-JKSUJKDBSA-N 2 0 358.482 3.498 20 0 FGADRP C[C@@H]1CC[N@H+](CCOc2ccc(NC(=O)CC3CC[NH+](C)CC3)cc2)C1 ZINC000291902660 499097745 /nfs/dbraw/zinc/09/77/45/499097745.db2.gz KDOADNIZHRYSQC-QGZVFWFLSA-N 2 0 359.514 3.078 20 0 FGADRP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+]C[C@](C)(O)c1cccc(Cl)c1 ZINC000364046343 499098426 /nfs/dbraw/zinc/09/84/26/499098426.db2.gz BZKMIGMDQHFWQF-NMLACTOBSA-N 2 0 366.933 3.027 20 0 FGADRP Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+]C[C@H](C(C)C)N2CC[NH+](C)CC2)C1 ZINC000366960925 499122921 /nfs/dbraw/zinc/12/29/21/499122921.db2.gz UFVBRGGLVKJNBQ-NJDAHSKKSA-N 2 0 358.574 3.278 20 0 FGADRP CC(=O)N1CC[C@H]([NH2+]CCC[NH+]2C[C@@H](C)C[C@H](C)C2)c2ccccc2C1 ZINC000369839398 499136552 /nfs/dbraw/zinc/13/65/52/499136552.db2.gz FBSSABCQFWJRIN-SPEDKVCISA-N 2 0 357.542 3.438 20 0 FGADRP CN1CCC([NH+]2CCC(CC[NH2+][C@H]3CCCC34CCOCC4)CC2)CC1 ZINC000367091645 499147433 /nfs/dbraw/zinc/14/74/33/499147433.db2.gz ANDJREKBIHLPJE-NRFANRHFSA-N 2 0 363.590 3.122 20 0 FGADRP C[N@H+](CCOCC(F)(F)C(F)F)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000372720172 499165928 /nfs/dbraw/zinc/16/59/28/499165928.db2.gz ACTNOZSEMXXEHF-UHFFFAOYSA-N 2 0 363.399 3.147 20 0 FGADRP CC(C)CC(=O)N1CCC(C[N@@H+]2CCC[C@H](C[NH+]3CCCCC3)C2)CC1 ZINC000367259982 499169641 /nfs/dbraw/zinc/16/96/41/499169641.db2.gz YXAWBNHMPFLAAV-OAQYLSRUSA-N 2 0 363.590 3.469 20 0 FGADRP C[NH+](C)Cc1cccc(NC(=O)N2CCC3(C[C@H]3C[N@H+](C)C3CC3)CC2)c1 ZINC000367295288 499175230 /nfs/dbraw/zinc/17/52/30/499175230.db2.gz IWFYTSULHVKLAF-SFHVURJKSA-N 2 0 370.541 3.476 20 0 FGADRP CCCN(CC[NH+]1CCCCC1)C(=O)C1CC[NH+](Cc2cccnc2)CC1 ZINC000367350020 499186639 /nfs/dbraw/zinc/18/66/39/499186639.db2.gz WYNHDUNRDSDUDH-UHFFFAOYSA-N 2 0 372.557 3.018 20 0 FGADRP CCC[C@@]1(CO)CC[NH+](CCCCC[N@H+]2CC[C@@](CO)(CCC)C2)C1 ZINC000367369953 499189655 /nfs/dbraw/zinc/18/96/55/499189655.db2.gz JJAKQVMIRVQXIE-OYRHEFFESA-N 2 0 354.579 3.126 20 0 FGADRP C[N@@H+]1CC[C@H]([NH2+]C2CCC(NC(=O)OC(C)(C)C)CC2)[C@@H]2CCC[C@H]21 ZINC000367620104 499218675 /nfs/dbraw/zinc/21/86/75/499218675.db2.gz PZYIAVMCNLAVFS-NUUXYWTLSA-N 2 0 351.535 3.285 20 0 FGADRP CC[C@@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccccc1OC(F)F ZINC000370635227 499238028 /nfs/dbraw/zinc/23/80/28/499238028.db2.gz OIERNKGZUXSONS-MAUKXSAKSA-N 2 0 367.484 3.497 20 0 FGADRP C[C@@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)c1cccc(OC(F)F)c1 ZINC000370638199 499238410 /nfs/dbraw/zinc/23/84/10/499238410.db2.gz WOHOUAHZHFRPKK-ZBFHGGJFSA-N 2 0 353.457 3.107 20 0 FGADRP C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@@H]1[NH2+]CCc1c[nH]c2cc(F)ccc12 ZINC000370653957 499240262 /nfs/dbraw/zinc/24/02/62/499240262.db2.gz VPXXYVDYUXRXPX-ZTNFWEORSA-N 2 0 359.489 3.329 20 0 FGADRP C[C@H](c1ccc(N2CCCC2=O)cc1)[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000368025674 499256665 /nfs/dbraw/zinc/25/66/65/499256665.db2.gz XWQXAEBGYBRNFO-MBPVOVBZSA-N 2 0 371.525 3.058 20 0 FGADRP c1nc2c([nH]1)C[C@@H]([NH2+][C@H]1CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]31)CC2 ZINC000368101820 499264127 /nfs/dbraw/zinc/26/41/27/499264127.db2.gz LQYAVKQBNLCZCD-MUGJNUQGSA-N 2 0 350.510 3.157 20 0 FGADRP c1nc2c([nH]1)C[C@H]([NH2+][C@H]1CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]31)CC2 ZINC000368101821 499264279 /nfs/dbraw/zinc/26/42/79/499264279.db2.gz LQYAVKQBNLCZCD-NMLBUPMWSA-N 2 0 350.510 3.157 20 0 FGADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]C[C@@H](O)CO[C@@H](C)c2ccc(Cl)cc2)C1 ZINC000573199285 506141658 /nfs/dbraw/zinc/14/16/58/506141658.db2.gz SCQGGGNTUOKMSV-ABSDTBQOSA-N 2 0 368.949 3.489 20 0 FGADRP CN1CC[C@H](C[NH2+]Cc2c[nH]c3nccnc23)[C@@H]1c1cccc(Cl)c1 ZINC000368213345 499274535 /nfs/dbraw/zinc/27/45/35/499274535.db2.gz ADPVDSTZEDRVFZ-KDOFPFPSSA-N 2 0 355.873 3.346 20 0 FGADRP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000371034106 499282248 /nfs/dbraw/zinc/28/22/48/499282248.db2.gz MVALZRUUJKABLY-AZUAARDMSA-N 2 0 364.578 3.014 20 0 FGADRP CC1(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC[NH+](Cc2ccccc2)CC1 ZINC000368380950 499290656 /nfs/dbraw/zinc/29/06/56/499290656.db2.gz QREJAFOLQBYEKQ-WOJBJXKFSA-N 2 0 355.526 3.032 20 0 FGADRP CN1CCC([NH+]2CCC(CC[N@H+](C)Cc3ccc(Cl)nc3)CC2)CC1 ZINC000371158478 499294577 /nfs/dbraw/zinc/29/45/77/499294577.db2.gz UCNVIUZBTIBGKV-UHFFFAOYSA-N 2 0 364.965 3.363 20 0 FGADRP O=C(Oc1ccccc1)N1CCC[C@H]([NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000368473534 499299444 /nfs/dbraw/zinc/29/94/44/499299444.db2.gz ICRFCYVCSQKGFN-MSOLQXFVSA-N 2 0 357.498 3.114 20 0 FGADRP c1cc(C[NH+]2CCC3(CCO3)CC2)ccc1C[NH+]1CCC2(CCO2)CC1 ZINC000368525275 499304481 /nfs/dbraw/zinc/30/44/81/499304481.db2.gz DHEYEXOQXVGLBU-UHFFFAOYSA-N 2 0 356.510 3.196 20 0 FGADRP Cc1cccc(C)c1OCCC[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000371302990 499307729 /nfs/dbraw/zinc/30/77/29/499307729.db2.gz LXUAVRRDRQQFBO-SFTDATJTSA-N 2 0 359.558 3.030 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CNC(=O)C1CC[NH+](Cc2ccc(Cl)s2)CC1 ZINC000368784605 499332380 /nfs/dbraw/zinc/33/23/80/499332380.db2.gz OGPSSMIFCAJQRO-HNNXBMFYSA-N 2 0 369.962 3.214 20 0 FGADRP C[NH+](C)CCOc1ccccc1C[NH2+][C@H]1CCC(=O)Nc2ccc(F)cc21 ZINC000371725670 499359316 /nfs/dbraw/zinc/35/93/16/499359316.db2.gz DRRVUBZJNIBQMF-SFHVURJKSA-N 2 0 371.456 3.329 20 0 FGADRP CC(C)[NH+]1CCC(NC(=O)NC[C@]2(C)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000369047787 499360334 /nfs/dbraw/zinc/36/03/34/499360334.db2.gz LMXVPFQTIIQNEV-QFIPXVFZSA-N 2 0 372.557 3.071 20 0 FGADRP COc1ccc(-c2noc([C@@H](C)[NH+]3CCC([C@H]4CCC[NH2+]4)CC3)n2)cc1 ZINC000576376175 506143649 /nfs/dbraw/zinc/14/36/49/506143649.db2.gz GBRRBQIYFJYUBJ-RDTXWAMCSA-N 2 0 356.470 3.270 20 0 FGADRP COc1ccc(C[N@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)cc1OC ZINC000371900338 499376576 /nfs/dbraw/zinc/37/65/76/499376576.db2.gz XKFLHEWGNZOPAZ-UHFFFAOYSA-N 2 0 355.482 3.447 20 0 FGADRP Cn1cc(-c2ccc(C[NH2+]C3CCN(c4ccccn4)CC3)s2)cn1 ZINC000369214712 499378316 /nfs/dbraw/zinc/37/83/16/499378316.db2.gz MECQHECPGDPNNW-UHFFFAOYSA-N 2 0 353.495 3.302 20 0 FGADRP CCC1(CNC(=O)NC2CC[NH+](C)CC2)CC[NH+](Cc2ccccc2)CC1 ZINC000372219488 499410299 /nfs/dbraw/zinc/41/02/99/499410299.db2.gz UBDYBPNKZRVDAM-UHFFFAOYSA-N 2 0 372.557 3.072 20 0 FGADRP CN1Cc2ccccc2[C@@H](NC(=O)C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000372297661 499417620 /nfs/dbraw/zinc/41/76/20/499417620.db2.gz JKWUQKYHHAZKJF-QFIPXVFZSA-N 2 0 363.505 3.202 20 0 FGADRP C[NH+](C)Cc1ccccc1C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000373025734 499447857 /nfs/dbraw/zinc/44/78/57/499447857.db2.gz LOLISVAYOMRXHO-UHFFFAOYSA-N 2 0 351.494 3.143 20 0 FGADRP CC(C)[N@H+](C)Cc1ccccc1C[NH2+]Cc1cnc(-c2cnn(C)c2)nc1 ZINC000373395867 499467322 /nfs/dbraw/zinc/46/73/22/499467322.db2.gz RETZRTBJIDQUEM-UHFFFAOYSA-N 2 0 364.497 3.007 20 0 FGADRP C[C@H]([NH2+][C@@H]1CCN(c2ncccc2F)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000373448436 499470359 /nfs/dbraw/zinc/47/03/59/499470359.db2.gz LEUAFKXRJNTWNL-YSIASYRMSA-N 2 0 368.500 3.300 20 0 FGADRP Cc1cccc2c(CC[NH2+][C@@H]3CC[N@@H+](C[C@H]4CCCO4)C[C@@H]3C)c[nH]c21 ZINC000378185920 499488537 /nfs/dbraw/zinc/48/85/37/499488537.db2.gz VCGNSILVAFIDIT-FBBABVLZSA-N 2 0 355.526 3.498 20 0 FGADRP C[C@H]1CCC[N@@H+]1C1CCN(C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)CC1 ZINC000378201309 499489758 /nfs/dbraw/zinc/48/97/58/499489758.db2.gz NMGXDTJEBAAMRC-FUHWJXTLSA-N 2 0 352.567 3.011 20 0 FGADRP CC[NH+](CC)CCOc1ccc(C(=O)N2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cc1 ZINC000378237059 499493238 /nfs/dbraw/zinc/49/32/38/499493238.db2.gz ZKIKXLLWOOZLOG-PZJWPPBQSA-N 2 0 373.541 3.011 20 0 FGADRP C[C@H]1[N@H+](C/C=C/C[NH+]2CCC3(CCOCC3)[C@@H]2C)CCC12CCOCC2 ZINC000375241969 499498383 /nfs/dbraw/zinc/49/83/83/499498383.db2.gz MJTGNJQSKMJLDW-IGVYDEPUSA-N 2 0 362.558 3.325 20 0 FGADRP C[C@H]1CN(Cc2cscc2C(F)(F)F)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000576392760 506147545 /nfs/dbraw/zinc/14/75/45/506147545.db2.gz WGSSHRSXXPMVFO-XJKSGUPXSA-N 2 0 361.477 3.225 20 0 FGADRP Cn1ncc2c1CCC[C@@H]2[NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000375310289 499505976 /nfs/dbraw/zinc/50/59/76/499505976.db2.gz PXFOWTLIOLOWOO-FQEVSTJZSA-N 2 0 354.498 3.060 20 0 FGADRP C[NH+](C)C1CCN(c2ccc(NC3CC[NH+](C4CCCC4)CC3)nc2)CC1 ZINC000378473125 499521443 /nfs/dbraw/zinc/52/14/43/499521443.db2.gz HOTXLBXROCBPEK-UHFFFAOYSA-N 2 0 371.573 3.431 20 0 FGADRP COC(=O)c1cc(C[NH2+][C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)n(C)c1C ZINC000380460990 499543619 /nfs/dbraw/zinc/54/36/19/499543619.db2.gz PDHDXLZUJRPUNR-VQIMIIECSA-N 2 0 369.509 3.120 20 0 FGADRP C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)C[C@H]([NH3+])c1ccccc1 ZINC000382721998 499546121 /nfs/dbraw/zinc/54/61/21/499546121.db2.gz NWWDWHFVMMFCJB-RXVVDRJESA-N 2 0 351.494 3.200 20 0 FGADRP CC(C)[NH+]1CCC([NH2+]C[C@H](O)COc2cc(Cl)ccc2Cl)CC1 ZINC000387372484 499549929 /nfs/dbraw/zinc/54/99/29/499549929.db2.gz GGBLMHMANXVROW-HNNXBMFYSA-N 2 0 361.313 3.196 20 0 FGADRP COc1cc([C@H](C)[NH2+]CCN2CC[NH+](Cc3ccccc3)CC2)ccc1F ZINC000390898364 499556164 /nfs/dbraw/zinc/55/61/64/499556164.db2.gz FQUSQVIHFIRHMI-SFHVURJKSA-N 2 0 371.500 3.303 20 0 FGADRP OC1(C[NH2+][C@H]2CCc3cc(F)ccc32)CC[NH+](Cc2ccccc2)CC1 ZINC000397491180 499563911 /nfs/dbraw/zinc/56/39/11/499563911.db2.gz JGWQTVKGHIVQPC-NRFANRHFSA-N 2 0 354.469 3.430 20 0 FGADRP [NH3+][C@@H](CC1CCCCC1)C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000397554094 499564149 /nfs/dbraw/zinc/56/41/49/499564149.db2.gz JUTFRNFGTIFMRN-NRFANRHFSA-N 2 0 357.542 3.313 20 0 FGADRP Cc1ccccc1OC[C@H](O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000397959356 499565058 /nfs/dbraw/zinc/56/50/58/499565058.db2.gz DCWQVHBKICWDCE-CEMLEFRQSA-N 2 0 368.521 3.235 20 0 FGADRP C[C@@H]1C[NH+](Cc2ccccc2C[NH2+][C@H]2CCCc3n[nH]cc32)C[C@@H](C)O1 ZINC000375890681 499565274 /nfs/dbraw/zinc/56/52/74/499565274.db2.gz SZLOHFBOTQMCSE-QINHECLXSA-N 2 0 354.498 3.186 20 0 FGADRP O=C(C[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)Nc1ccc(Cl)cc1 ZINC000579342286 506151412 /nfs/dbraw/zinc/15/14/12/506151412.db2.gz BPOKSPUKSNAGSE-PXNSSMCTSA-N 2 0 371.868 3.124 20 0 FGADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)N1CCCC12CC[NH+](C)CC2)c1ccccc1 ZINC000376547067 499617373 /nfs/dbraw/zinc/61/73/73/499617373.db2.gz GXNPSNHGMVTFLG-GOSISDBHSA-N 2 0 372.557 3.386 20 0 FGADRP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC000376584143 499620562 /nfs/dbraw/zinc/62/05/62/499620562.db2.gz LXIFLVRLEFVCQB-BNCGXOKJSA-N 2 0 364.578 3.011 20 0 FGADRP O=C(CC[NH+]1CCC([C@H]2CC[NH2+]C2)CC1)Nc1cccc2ccccc21 ZINC000582181588 506152757 /nfs/dbraw/zinc/15/27/57/506152757.db2.gz DRIFSRQDZLOILM-IBGZPJMESA-N 2 0 351.494 3.490 20 0 FGADRP C[NH+](C)Cc1ccccc1C(=O)N1C[C@@H]2C[N@H+](C)[C@@H](c3ccccc3)[C@@H]2C1 ZINC000377320076 499679697 /nfs/dbraw/zinc/67/96/97/499679697.db2.gz GSEONSPDRFIWBY-NNWRFLSQSA-N 2 0 363.505 3.123 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1N(C)C(=O)C1CC[NH+](C2CC2)CC1 ZINC000377468068 499693787 /nfs/dbraw/zinc/69/37/87/499693787.db2.gz LTBGXTHBIUPICS-XMSQKQJNSA-N 2 0 369.553 3.230 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1N(C)C(=O)C1CC[NH+](C2CC2)CC1 ZINC000377468066 499693878 /nfs/dbraw/zinc/69/38/78/499693878.db2.gz LTBGXTHBIUPICS-GCJKJVERSA-N 2 0 369.553 3.230 20 0 FGADRP C[N@H+](Cc1ccc(OC(F)F)c(F)c1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000377626250 499712300 /nfs/dbraw/zinc/71/23/00/499712300.db2.gz MJMPTUFSSLTXEP-MRXNPFEDSA-N 2 0 371.447 3.027 20 0 FGADRP COCCOc1ccccc1C[N@H+](C)C1CCN(c2cc[nH+]cc2)CC1 ZINC000377694185 499721177 /nfs/dbraw/zinc/72/11/77/499721177.db2.gz KRRTXYFQYMACFI-UHFFFAOYSA-N 2 0 355.482 3.208 20 0 FGADRP CCN(C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000377908164 499747253 /nfs/dbraw/zinc/74/72/53/499747253.db2.gz RMJNUNGLSLCDLV-YHELAOLJSA-N 2 0 357.542 3.401 20 0 FGADRP CCOC(=O)[C@H](NCc1ccc(C[NH+]2CCCCC2)cc1)[C@@H]1CCCOC1 ZINC000411506734 499748985 /nfs/dbraw/zinc/74/89/85/499748985.db2.gz PBCVQYWAAUDJDW-NHCUHLMSSA-N 2 0 374.525 3.120 20 0 FGADRP C[NH+]1CCC(C[NH2+]Cc2ccnc(Cl)c2Cl)(N2CCCCC2)CC1 ZINC000378135085 499760417 /nfs/dbraw/zinc/76/04/17/499760417.db2.gz KASWZKHJYAMOBL-UHFFFAOYSA-N 2 0 371.356 3.428 20 0 FGADRP NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+]CC2CCC(c3ccccc3)CC2)C1 ZINC000582208193 506158505 /nfs/dbraw/zinc/15/85/05/506158505.db2.gz LACNJFFSJQAPLO-DQVLVPHSSA-N 2 0 357.542 3.137 20 0 FGADRP C[C@H]([NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1)c1ccccc1C(C)(C)C ZINC000414181714 499766266 /nfs/dbraw/zinc/76/62/66/499766266.db2.gz CHKYDXHZNUAHHV-IBGZPJMESA-N 2 0 373.585 3.431 20 0 FGADRP COCCOc1ccc([C@H](C)[NH2+]CC[C@H]2CCC[N@H+](C)C2)cc1OC ZINC000414198926 499767953 /nfs/dbraw/zinc/76/79/53/499767953.db2.gz XADVQTYTXACEKI-DLBZAZTESA-N 2 0 350.503 3.103 20 0 FGADRP CCc1ncc(C[NH2+]CC2CC[NH+](Cc3ccc(OC)cc3)CC2)cn1 ZINC000414296855 499775033 /nfs/dbraw/zinc/77/50/33/499775033.db2.gz HJMZXCVHJFVEOB-UHFFFAOYSA-N 2 0 354.498 3.049 20 0 FGADRP OC[C@H](C[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12)c1ccc(F)cc1 ZINC000414294441 499775162 /nfs/dbraw/zinc/77/51/62/499775162.db2.gz QCGWPUPVBUZUGQ-DWQJTFDBSA-N 2 0 368.496 3.402 20 0 FGADRP C[C@H]([NH2+]C[C@@H](CO)c1ccc(F)cc1)c1cccc(OCC[NH+](C)C)c1 ZINC000414308705 499776347 /nfs/dbraw/zinc/77/63/47/499776347.db2.gz IQNUQCUWJKASQU-LPHOPBHVSA-N 2 0 360.473 3.193 20 0 FGADRP COc1cccc2c1CC[C@H]2[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000414311765 499776555 /nfs/dbraw/zinc/77/65/55/499776555.db2.gz VGSBJXYZIMFHSX-OAQYLSRUSA-N 2 0 366.505 3.299 20 0 FGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]Cc2ccc(C(F)(F)F)c(C)c2)CC1 ZINC000414329685 499778399 /nfs/dbraw/zinc/77/83/99/499778399.db2.gz PGYDFVFIUGYSJN-HNNXBMFYSA-N 2 0 357.464 3.377 20 0 FGADRP C[C@@H]1CCC[C@@H](C)C1[NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000414331848 499778679 /nfs/dbraw/zinc/77/86/79/499778679.db2.gz UNADYOFFHGPJBN-IAGOWNOFSA-N 2 0 357.542 3.298 20 0 FGADRP C[C@@H]1CCC[C@H]([NH2+]Cc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)[C@H]1C ZINC000414346379 499779593 /nfs/dbraw/zinc/77/95/93/499779593.db2.gz UTCAWHRUFFRYRT-WWMYMODYSA-N 2 0 357.542 3.298 20 0 FGADRP CN(C)c1ncc(C[NH2+]Cc2ccccc2C[N@H+](C)Cc2ccco2)n1C ZINC000414356646 499780201 /nfs/dbraw/zinc/78/02/01/499780201.db2.gz FVXAGCGRCFWEBY-UHFFFAOYSA-N 2 0 367.497 3.001 20 0 FGADRP C[NH+](C)CCOc1ccc(NC(=O)Nc2cccc(C[NH+](C)C)c2)c(F)c1 ZINC000414412276 499788659 /nfs/dbraw/zinc/78/86/59/499788659.db2.gz RDDQHRFSGNYQIL-UHFFFAOYSA-N 2 0 374.460 3.472 20 0 FGADRP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+]1CC(C)(C)C[C@@H]1C ZINC000412043269 499816191 /nfs/dbraw/zinc/81/61/91/499816191.db2.gz NHZKGDCHQMCGDC-ZWKOTPCHSA-N 2 0 357.542 3.276 20 0 FGADRP CC[N@H+](C[C@@H]1CCCN(C(=O)C[NH3+])C1)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000414732577 499824097 /nfs/dbraw/zinc/82/40/97/499824097.db2.gz CTOPMMZSNRPOPJ-GJZGRUSLSA-N 2 0 371.447 3.286 20 0 FGADRP C[C@@H]1C[C@@H](C[NH+]2CCN(Cc3csc(-c4ccccc4)n3)CC2)CC[NH2+]1 ZINC000414749410 499826551 /nfs/dbraw/zinc/82/65/51/499826551.db2.gz PUBJCKOIZNNKTE-MSOLQXFVSA-N 2 0 370.566 3.316 20 0 FGADRP C[C@@H]1C[C@H](C[NH+]2CCN(Cc3csc(-c4ccccc4)n3)CC2)CC[NH2+]1 ZINC000414749411 499826586 /nfs/dbraw/zinc/82/65/86/499826586.db2.gz PUBJCKOIZNNKTE-QZTJIDSGSA-N 2 0 370.566 3.316 20 0 FGADRP C[C@@H]1c2c(Cl)cc(Cl)cc2CC[N@H+]1C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414760443 499827468 /nfs/dbraw/zinc/82/74/68/499827468.db2.gz YTVDWBWGFPFBDI-CHWSQXEVSA-N 2 0 370.324 3.110 20 0 FGADRP Cc1cccn2cc(COc3ccc(C[N@@H+](C)C4CC([NH3+])C4)cc3)nc12 ZINC000414769148 499828772 /nfs/dbraw/zinc/82/87/72/499828772.db2.gz JOCSBNCQWFKRMN-UHFFFAOYSA-N 2 0 350.466 3.143 20 0 FGADRP c1ccc(COc2ccccc2C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)nc1 ZINC000414778910 499830136 /nfs/dbraw/zinc/83/01/36/499830136.db2.gz JOFAFAJWUPXKPW-MOPGFXCFSA-N 2 0 351.494 3.482 20 0 FGADRP COc1ccc(C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc1Br ZINC000414780317 499830556 /nfs/dbraw/zinc/83/05/56/499830556.db2.gz LIHGHHSCXSBPND-LSDHHAIUSA-N 2 0 353.304 3.279 20 0 FGADRP CC[NH+](CC)CCOc1ccccc1NC(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000414784690 499831024 /nfs/dbraw/zinc/83/10/24/499831024.db2.gz ITLMHVRQGXKATR-DLBZAZTESA-N 2 0 362.518 3.046 20 0 FGADRP Cc1cc(Br)cn2c(C[NH2+][C@@H]3CCCC[C@H]3C[NH3+])cnc12 ZINC000414796807 499832221 /nfs/dbraw/zinc/83/22/21/499832221.db2.gz IASAGBFYIQHQKZ-SWLSCSKDSA-N 2 0 351.292 3.012 20 0 FGADRP Brc1ccc(C[NH2+]C[C@@H]2CCC[NH2+]C2)cc1Br ZINC000414832478 499835192 /nfs/dbraw/zinc/83/51/92/499835192.db2.gz QNJOYHQUNLWKOH-LLVKDONJSA-N 2 0 362.109 3.301 20 0 FGADRP CCCOc1c(Br)cc(C[NH2+]C[C@@H]2CCC[NH2+]C2)cc1OC ZINC000414834636 499835881 /nfs/dbraw/zinc/83/58/81/499835881.db2.gz SXVAXFLNPPLRGL-CYBMUJFWSA-N 2 0 371.319 3.336 20 0 FGADRP c1c(C[NH2+]CC[C@@H]2CCC[NH2+]C2)c(-c2ccncc2)nn1-c1ccccc1 ZINC000414846255 499837122 /nfs/dbraw/zinc/83/71/22/499837122.db2.gz UMFCFOXGNNSTBN-SFHVURJKSA-N 2 0 361.493 3.414 20 0 FGADRP COCCN(C)c1ccc(C[NH2+]C[C@H](N)c2ccc(C(C)C)cc2)cn1 ZINC000414854720 499838224 /nfs/dbraw/zinc/83/82/24/499838224.db2.gz ZXCPGKBHBBVNEL-FQEVSTJZSA-N 2 0 356.514 3.077 20 0 FGADRP COCCN(C)c1ccc(C[NH2+]C[C@@H](N)c2ccc(C(C)C)cc2)cn1 ZINC000414854721 499838241 /nfs/dbraw/zinc/83/82/41/499838241.db2.gz ZXCPGKBHBBVNEL-HXUWFJFHSA-N 2 0 356.514 3.077 20 0 FGADRP CCOc1cc(C[NH2+][C@H](C)[C@@H]2CCC[NH2+]C2)cc(Br)c1OC ZINC000414857635 499838465 /nfs/dbraw/zinc/83/84/65/499838465.db2.gz PWEJDGDCRUILRU-TZMCWYRMSA-N 2 0 371.319 3.334 20 0 FGADRP C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000414858883 499838488 /nfs/dbraw/zinc/83/84/88/499838488.db2.gz STPOBXPVJZYQNY-HZSPNIEDSA-N 2 0 357.420 3.400 20 0 FGADRP C[C@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[NH2+]C[C@@H]([NH3+])C1CC1 ZINC000414885506 499841569 /nfs/dbraw/zinc/84/15/69/499841569.db2.gz GPRPRJVGSXVBJR-YMTOWFKASA-N 2 0 363.811 3.403 20 0 FGADRP COc1ccc(C[NH2+]C[C@]2(C)CCC[NH2+]C2)cc1OCc1cccnc1 ZINC000414917078 499844381 /nfs/dbraw/zinc/84/43/81/499844381.db2.gz QYFGFTRYTIROGO-OAQYLSRUSA-N 2 0 355.482 3.149 20 0 FGADRP C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]C[C@@]1(C)CCC[NH2+]C1 ZINC000414917933 499844787 /nfs/dbraw/zinc/84/47/87/499844787.db2.gz SNCYAYHHODTWHO-GUYCJALGSA-N 2 0 368.319 3.146 20 0 FGADRP C[C@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1ccc(Br)c(Br)c1 ZINC000414951105 499848000 /nfs/dbraw/zinc/84/80/00/499848000.db2.gz GXDZILLGKRIAGN-ZANVPECISA-N 2 0 362.109 3.299 20 0 FGADRP COc1ccc(OCc2ccccn2)c(C[NH2+]CCC[C@H]2CCC[NH2+]2)c1 ZINC000414967199 499849963 /nfs/dbraw/zinc/84/99/63/499849963.db2.gz GZYDGTKWZINFLU-SFHVURJKSA-N 2 0 355.482 3.291 20 0 FGADRP COc1cc(Br)c(C[NH2+]CCC[C@@H]2CCC[NH2+]2)c(OC)c1 ZINC000414972067 499850184 /nfs/dbraw/zinc/85/01/84/499850184.db2.gz LVOHNXRKHXQJAD-GFCCVEGCSA-N 2 0 357.292 3.088 20 0 FGADRP COc1cc(Br)c(C[NH2+]C[C@H]2CCC[C@H]([NH3+])C2)c(OC)c1 ZINC000414986901 499851715 /nfs/dbraw/zinc/85/17/15/499851715.db2.gz CVGYYJHAGRLMCJ-RYUDHWBXSA-N 2 0 357.292 3.073 20 0 FGADRP C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]C[C@@H]1CCC[C@H]([NH3+])C1 ZINC000414994426 499852589 /nfs/dbraw/zinc/85/25/89/499852589.db2.gz DPQRIOGEVGRYBY-NFAWXSAZSA-N 2 0 368.319 3.273 20 0 FGADRP C[C@H](Cc1ccc(Br)cc1F)[NH2+]C[C@@H]1CCNCC1(F)F ZINC000414993451 499852723 /nfs/dbraw/zinc/85/27/23/499852723.db2.gz CIWDXYXEEJKLSC-PWSUYJOCSA-N 2 0 365.237 3.354 20 0 FGADRP COc1ccc(Cn2nc(C)c(C[NH2+]C[C@H]3CCC[C@@H]([NH3+])C3)c2C)cc1 ZINC000414996595 499852804 /nfs/dbraw/zinc/85/28/04/499852804.db2.gz GNFTWUVBMLFLJH-RBUKOAKNSA-N 2 0 356.514 3.164 20 0 FGADRP COc1cc(C[NH2+]C[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)cc(OC)c1O ZINC000414998571 499853106 /nfs/dbraw/zinc/85/31/06/499853106.db2.gz IFTSLPGAUFYRCZ-FUHWJXTLSA-N 2 0 374.456 3.031 20 0 FGADRP [NH3+][C@@H]1CCC[C@@H](C[NH2+]Cc2nc(-c3cccc(Br)c3)c[nH]2)C1 ZINC000415004145 499854072 /nfs/dbraw/zinc/85/40/72/499854072.db2.gz NWFXCVPUPQSFHY-IUODEOHRSA-N 2 0 363.303 3.446 20 0 FGADRP COc1cc(C[NH2+]C[C@H]2CCC[C@H]([NH3+])C2)ccc1OCc1ccncc1 ZINC000415005553 499854257 /nfs/dbraw/zinc/85/42/57/499854257.db2.gz PEYJYZVOFBYDTQ-HKUYNNGSSA-N 2 0 355.482 3.276 20 0 FGADRP COc1ccc(C(=O)Nc2cccc(C[NH2+][C@H]3CC[C@@H](C[NH3+])C3)c2)cc1 ZINC000415035033 499856523 /nfs/dbraw/zinc/85/65/23/499856523.db2.gz KJIGVHDKDAUPSH-QAPCUYQASA-N 2 0 353.466 3.165 20 0 FGADRP COc1ccc(CC[NH2+][C@H](C)C[C@H]2CCCCC[NH2+]2)c(OC)c1OC ZINC000415075305 499861033 /nfs/dbraw/zinc/86/10/33/499861033.db2.gz BGOPMCMJKNYDIA-NVXWUHKLSA-N 2 0 350.503 3.155 20 0 FGADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C1CCN(C(=O)c2ccccc2F)CC1 ZINC000415077706 499861105 /nfs/dbraw/zinc/86/11/05/499861105.db2.gz HWPKJANFUIFPRC-SJLPKXTDSA-N 2 0 361.505 3.331 20 0 FGADRP C[C@]1(C[NH2+]CC2(c3cccc(C(F)(F)F)c3)CCOCC2)CC[NH2+]C1 ZINC000415076880 499861243 /nfs/dbraw/zinc/86/12/43/499861243.db2.gz BPMVGLTUPDXUSC-KRWDZBQOSA-N 2 0 356.432 3.343 20 0 FGADRP CCN1CC[C@H]([NH2+]C[C@@H]2CC[NH2+][C@@H](C)C2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000415108793 499864515 /nfs/dbraw/zinc/86/45/15/499864515.db2.gz PCELSUKWCQECBV-JBYDNAENSA-N 2 0 355.448 3.217 20 0 FGADRP [NH3+][C@@H]1CCO[C@H](C2CC[NH+](Cc3ccccc3OC(F)(F)F)CC2)C1 ZINC000415121199 499866203 /nfs/dbraw/zinc/86/62/03/499866203.db2.gz HQGZWGPZCLOIAV-WBVHZDCISA-N 2 0 358.404 3.304 20 0 FGADRP COc1cc(C[NH2+]CC2(N)CC[NH+](Cc3ccccc3)CC2)ccc1C ZINC000415125804 499867148 /nfs/dbraw/zinc/86/71/48/499867148.db2.gz FLHZNIVLBQIVHF-UHFFFAOYSA-N 2 0 353.510 3.087 20 0 FGADRP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000415126008 499867194 /nfs/dbraw/zinc/86/71/94/499867194.db2.gz LTDUGZMTXZEERU-SJORKVTESA-N 2 0 353.304 3.167 20 0 FGADRP C[C@H]1C[C@@H](N(C)C(=O)C23CCC[NH+]2CCC3)CC[N@@H+]1Cc1ccccc1 ZINC000415201387 499876530 /nfs/dbraw/zinc/87/65/30/499876530.db2.gz KOXQAMDGNSJJPC-ICSRJNTNSA-N 2 0 355.526 3.126 20 0 FGADRP C[NH2+]Cc1cccc(NC(=O)N[C@@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)c1 ZINC000415917879 499928288 /nfs/dbraw/zinc/92/82/88/499928288.db2.gz JTRBXJZDWFTEDG-OXJNMPFZSA-N 2 0 352.482 3.363 20 0 FGADRP C[NH2+]Cc1cccc(NC(=O)N(C)C2CC[NH+](CCC(F)(F)F)CC2)c1 ZINC000415936620 499930844 /nfs/dbraw/zinc/93/08/44/499930844.db2.gz WCPBCSDKVUJSJA-UHFFFAOYSA-N 2 0 372.435 3.287 20 0 FGADRP CCC[N@H+](CC)C[C@@H](C)NC(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000415967335 499935105 /nfs/dbraw/zinc/93/51/05/499935105.db2.gz HRIXXRQMULVUIT-GFCCVEGCSA-N 2 0 360.424 3.406 20 0 FGADRP CC1CC[NH+](CCCNC(=O)Nc2cc(C[NH3+])cc(C(F)(F)F)c2)CC1 ZINC000415972044 499935634 /nfs/dbraw/zinc/93/56/34/499935634.db2.gz OMQOFWKHJKYJHN-UHFFFAOYSA-N 2 0 372.435 3.408 20 0 FGADRP CN(C(=O)Nc1ccc(C[NH3+])cc1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000415980237 499936758 /nfs/dbraw/zinc/93/67/58/499936758.db2.gz SDBNIXYTUBCUFF-FQEVSTJZSA-N 2 0 352.482 3.274 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)Nc1ccc(C[NH2+]C)cc1)Cc1ccccc1 ZINC000415992216 499938568 /nfs/dbraw/zinc/93/85/68/499938568.db2.gz QSOQCUQFVXBBRG-OAQYLSRUSA-N 2 0 368.525 3.481 20 0 FGADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)N[C@H](C[NH3+])c1ccc2ccccc2c1 ZINC000417036119 499954493 /nfs/dbraw/zinc/95/44/93/499954493.db2.gz SOIGUUYJLSVIHP-OXJNMPFZSA-N 2 0 354.498 3.013 20 0 FGADRP C[C@@H](CCNC(=O)NCC1CC[NH+](C2CC2)CC1)[N@H+](C)Cc1ccccc1 ZINC000428904667 499956102 /nfs/dbraw/zinc/95/61/02/499956102.db2.gz ICNXKCLGMXSJTK-SFHVURJKSA-N 2 0 372.557 3.071 20 0 FGADRP C[NH+](C)Cc1cccc(CNC(=O)N[C@@H](CCC[NH3+])c2ccccc2)c1 ZINC000417063203 499961583 /nfs/dbraw/zinc/96/15/83/499961583.db2.gz IBBKMVYPTBAJME-FQEVSTJZSA-N 2 0 354.498 3.028 20 0 FGADRP C[C@@H](NC(=O)N[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1)C(C)(C)C[NH+](C)C ZINC000428957123 499968422 /nfs/dbraw/zinc/96/84/22/499968422.db2.gz ZVUZTYTZIHPETR-ZHALLVOQSA-N 2 0 360.546 3.097 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)N(C)[C@H](C)C1CC[NH+](C)CC1)CC(C)C ZINC000570438147 506167837 /nfs/dbraw/zinc/16/78/37/506167837.db2.gz RVZZYTWWHFUUJL-IEBWSBKVSA-N 2 0 354.583 3.115 20 0 FGADRP C[NH+](C)CCc1ccccc1NC(=O)CC[N@@H+]1CCc2ccccc2C1 ZINC000416215883 499983852 /nfs/dbraw/zinc/98/38/52/499983852.db2.gz PICOTBOZDHMCMF-UHFFFAOYSA-N 2 0 351.494 3.178 20 0 FGADRP C[NH+](C)C[C@H](NC(=O)C[C@@H](c1ccccc1)[NH+](C)C)c1ccc(F)cc1 ZINC000416235216 499989218 /nfs/dbraw/zinc/98/92/18/499989218.db2.gz SGDDTSQWNLFKJB-PMACEKPBSA-N 2 0 357.473 3.238 20 0 FGADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)NC[C@@H]2CCCC[NH+]2C2CC2)C1 ZINC000429098859 500002885 /nfs/dbraw/zinc/00/28/85/500002885.db2.gz QDRVSOUIEKUNSO-LMNJBCLMSA-N 2 0 370.541 3.138 20 0 FGADRP CC1CC[NH+]([C@@H](CNC(=O)N2CCC[C@H](CC[NH3+])C2)c2ccccc2)CC1 ZINC000417208676 500005764 /nfs/dbraw/zinc/00/57/64/500005764.db2.gz BIVFUJDQLMPUCJ-CTNGQTDRSA-N 2 0 372.557 3.230 20 0 FGADRP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N(CCC[NH3+])Cc2ccccc2)C1 ZINC000417238297 500014487 /nfs/dbraw/zinc/01/44/87/500014487.db2.gz LEALSKUWRQLMSC-SFHVURJKSA-N 2 0 360.546 3.058 20 0 FGADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1C[C@H](C(=O)OC(C)(C)C)C[C@H](C)C1 ZINC000421383833 500033384 /nfs/dbraw/zinc/03/33/84/500033384.db2.gz LYOATLOPRDSEDE-DOTOQJQBSA-N 2 0 370.497 3.375 20 0 FGADRP Cc1ccc([C@H](CNC(=O)N2CCCC[C@@H]2[C@H]2CCC[NH2+]C2)[NH+](C)C)cc1 ZINC000417310807 500036618 /nfs/dbraw/zinc/03/66/18/500036618.db2.gz KXTPGIIZJBLONF-HBMCJLEFSA-N 2 0 372.557 3.161 20 0 FGADRP O=C(NCCC[C@H]1CCC[NH2+]1)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000417353318 500047254 /nfs/dbraw/zinc/04/72/54/500047254.db2.gz ISFQTPPSLWYGDU-OAQYLSRUSA-N 2 0 372.557 3.394 20 0 FGADRP Cc1ccc([C@H](CNC(=O)NC[C@H]([NH3+])c2ccccc2)[NH+]2CCCC2)cc1 ZINC000417359151 500048531 /nfs/dbraw/zinc/04/85/31/500048531.db2.gz VHARSCMRZQJSRF-SFTDATJTSA-N 2 0 366.509 3.131 20 0 FGADRP CC[N@H+](C)Cc1cccc(CNC(=O)N[C@@H](CCC[NH3+])c2ccccc2)c1 ZINC000417406580 500063983 /nfs/dbraw/zinc/06/39/83/500063983.db2.gz RQLATVLHMJURFP-NRFANRHFSA-N 2 0 368.525 3.418 20 0 FGADRP C[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]C2CCN(c3cccnn3)CC2)CC1 ZINC000429416489 500073835 /nfs/dbraw/zinc/07/38/35/500073835.db2.gz DBDUHJYDWJJWEF-PXNSSMCTSA-N 2 0 357.546 3.078 20 0 FGADRP Cc1nn(-c2cc[nH+]cc2)cc1CN1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000425353299 500082321 /nfs/dbraw/zinc/08/23/21/500082321.db2.gz QFQFODLXSZYUPW-NZQKXSOJSA-N 2 0 373.504 3.282 20 0 FGADRP c1ccc(-c2ccc(C[NH+]3CCC(OCC[NH+]4CCCC4)CC3)cn2)nc1 ZINC000425421011 500100113 /nfs/dbraw/zinc/10/01/13/500100113.db2.gz QDELDLIETXSBBH-UHFFFAOYSA-N 2 0 366.509 3.220 20 0 FGADRP CO[C@@H](C[NH+]1CCC[C@@]2(CCC[N@@H+](C[C@@H](OC)C3CC3)C2)C1)C1CC1 ZINC000425440056 500106923 /nfs/dbraw/zinc/10/69/23/500106923.db2.gz COEVCVKPXGPPEQ-QHAWAJNXSA-N 2 0 350.547 3.014 20 0 FGADRP O[C@@H](Cc1ccccc1)C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000425463824 500113763 /nfs/dbraw/zinc/11/37/63/500113763.db2.gz YPQIGLCWDWMJIS-XZOQPEGZSA-N 2 0 350.506 3.188 20 0 FGADRP CC(C)c1ccc([C@@H]([NH3+])CNC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)cc1 ZINC000416789590 500120781 /nfs/dbraw/zinc/12/07/81/500120781.db2.gz DQJZHKDCFUAJNC-SFHVURJKSA-N 2 0 360.546 3.418 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)N1CC[C@](C)(C[NH3+])C1)c1ccccc1Cl ZINC000416824861 500130756 /nfs/dbraw/zinc/13/07/56/500130756.db2.gz AGMTTYJHCVIFKM-PKOBYXMFSA-N 2 0 366.937 3.103 20 0 FGADRP C[C@@H]([NH3+])c1ccc(CNC(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)cc1 ZINC000416840300 500135326 /nfs/dbraw/zinc/13/53/26/500135326.db2.gz LATJGJBAYAIWFW-CRAIPNDOSA-N 2 0 372.538 3.404 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N1CCC[C@H]([NH2+]C)C1)c1ccccc1Cl ZINC000416844249 500135996 /nfs/dbraw/zinc/13/59/96/500135996.db2.gz PYMXKWVXFRWZKM-MAUKXSAKSA-N 2 0 366.937 3.116 20 0 FGADRP CC[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000429762965 500139430 /nfs/dbraw/zinc/13/94/30/500139430.db2.gz HEYKBVQCHAVYIY-DSKINZAPSA-N 2 0 357.542 3.324 20 0 FGADRP C[C@H](CCCC[NH3+])NC(=O)N[C@H](C[N@@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000417675165 500146159 /nfs/dbraw/zinc/14/61/59/500146159.db2.gz BHCQVJGYOVLRNP-YLJYHZDGSA-N 2 0 374.573 3.276 20 0 FGADRP CCCN(C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1)C1CC[NH2+]CC1 ZINC000416889829 500148682 /nfs/dbraw/zinc/14/86/82/500148682.db2.gz KWJVGJHERCVBHD-UHFFFAOYSA-N 2 0 372.557 3.346 20 0 FGADRP COc1ccc([C@H](C)[NH2+]Cc2cccc(C(=O)NCC[NH+](C)C)c2)c(C)c1 ZINC000414082472 500149072 /nfs/dbraw/zinc/14/90/72/500149072.db2.gz VDAOWAAUYDWVJG-KRWDZBQOSA-N 2 0 369.509 3.146 20 0 FGADRP C[C@H]([NH3+])c1ccc(CNC(=O)NCc2ccccc2C[NH+]2CCCC2)cc1 ZINC000416901891 500150955 /nfs/dbraw/zinc/15/09/55/500150955.db2.gz KQSSLAWWWJQJFK-KRWDZBQOSA-N 2 0 366.509 3.302 20 0 FGADRP COc1cc(Cl)ccc1[C@H](C)[NH2+]C[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000421821715 500159429 /nfs/dbraw/zinc/15/94/29/500159429.db2.gz SZQAGFGMKDZKIE-MAUKXSAKSA-N 2 0 353.938 3.271 20 0 FGADRP COc1ccc([C@@H]([NH2+]CC2CC[NH+](CCN(C)C)CC2)C(C)C)c(F)c1 ZINC000421826835 500161205 /nfs/dbraw/zinc/16/12/05/500161205.db2.gz UWDSHXWBISCUBI-NRFANRHFSA-N 2 0 365.537 3.395 20 0 FGADRP CCCN(C(=O)NCc1ccccc1C[N@H+](C)C(C)C)C1CC[NH2+]CC1 ZINC000416965684 500168243 /nfs/dbraw/zinc/16/82/43/500168243.db2.gz DKLLPGTURIBSNK-UHFFFAOYSA-N 2 0 360.546 3.200 20 0 FGADRP C[C@H](CCCC[NH3+])NC(=O)NCc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000416969166 500169237 /nfs/dbraw/zinc/16/92/37/500169237.db2.gz KIBQNYVLVUSNOD-ZWKOTPCHSA-N 2 0 360.546 3.235 20 0 FGADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)NC2CCC([NH3+])CC2)cc1 ZINC000416969293 500169320 /nfs/dbraw/zinc/16/93/20/500169320.db2.gz BISSMSGZGIHBDI-DZIBYMRMSA-N 2 0 358.530 3.130 20 0 FGADRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000416974092 500172247 /nfs/dbraw/zinc/17/22/47/500172247.db2.gz KXOUDNGVGLTOQL-NRFANRHFSA-N 2 0 374.573 3.433 20 0 FGADRP CC(C)[NH+](CCCNC(=O)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]C1)C(C)C ZINC000417800365 500174238 /nfs/dbraw/zinc/17/42/38/500174238.db2.gz SLJJOZIMVMIRRQ-RTBURBONSA-N 2 0 352.567 3.059 20 0 FGADRP C[C@H](CCC[NH3+])NC(=O)NCc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000416984447 500174738 /nfs/dbraw/zinc/17/47/38/500174738.db2.gz HFKQBCIMACPELC-FGTMMUONSA-N 2 0 360.546 3.091 20 0 FGADRP C[NH2+]C[C@@H]1CCCN1C(=O)NCc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000416989117 500176977 /nfs/dbraw/zinc/17/69/77/500176977.db2.gz AGDRJTXJNAAWEI-UEXGIBASSA-N 2 0 372.557 3.058 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)N3CC[C@@](C)(C[NH3+])C3)cc2)C1 ZINC000416992894 500178278 /nfs/dbraw/zinc/17/82/78/500178278.db2.gz PMWHFPLEOWHRKS-SVMVAKDDSA-N 2 0 372.557 3.045 20 0 FGADRP CCCN(C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)C1CC[NH2+]CC1 ZINC000417833824 500180680 /nfs/dbraw/zinc/18/06/80/500180680.db2.gz UWGMTOLRNMWWAW-RXVVDRJESA-N 2 0 372.557 3.071 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N(C)CC[C@H]([NH3+])C(C)C)c1ccsc1 ZINC000417012139 500184085 /nfs/dbraw/zinc/18/40/85/500184085.db2.gz VWFIMAWVMINTGK-DLBZAZTESA-N 2 0 354.564 3.146 20 0 FGADRP CC(C)C[C@H](CNC(=O)N[C@@H]1CC[NH2+]C[C@H]1C)[NH2+][C@@H](C)c1ccccc1 ZINC000417863842 500187030 /nfs/dbraw/zinc/18/70/30/500187030.db2.gz AFNOJXHCUIBPAV-PIKOESSRSA-N 2 0 360.546 3.049 20 0 FGADRP CC(C)C[C@H](CNC(=O)N(C)C1CC[NH2+]CC1)[NH2+][C@H](C)c1ccccc1 ZINC000417867720 500187537 /nfs/dbraw/zinc/18/75/37/500187537.db2.gz FRJFVFDYKRWAJJ-IEBWSBKVSA-N 2 0 360.546 3.145 20 0 FGADRP CCCC[N@H+](CC)Cc1cccc(CNC(=O)N2CCC[C@H](C[NH2+]C)C2)c1 ZINC000417868713 500188381 /nfs/dbraw/zinc/18/83/81/500188381.db2.gz CXOXKGDTBMNQJH-OAQYLSRUSA-N 2 0 374.573 3.450 20 0 FGADRP CC(C)C[C@H](CNC(=O)N1C[C@H](C[NH3+])C[C@@H]1C)[NH2+][C@@H](C)c1ccccc1 ZINC000417877415 500189861 /nfs/dbraw/zinc/18/98/61/500189861.db2.gz QAFMNKVGJOFCFV-CGBFIWBNSA-N 2 0 360.546 3.131 20 0 FGADRP CCC1(CNC(=O)N[C@H]2CC[C@H](C[NH3+])C2)CC[NH+](Cc2ccccc2)CC1 ZINC000417916091 500197363 /nfs/dbraw/zinc/19/73/63/500197363.db2.gz CQICYQSPXPHBAD-PMACEKPBSA-N 2 0 372.557 3.105 20 0 FGADRP CCC([NH3+])(CC)CNC(=O)NCC[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000417933594 500200326 /nfs/dbraw/zinc/20/03/26/500200326.db2.gz XYRPJSIMCFQZDK-PKOBYXMFSA-N 2 0 360.546 3.104 20 0 FGADRP C[C@H](NC(=O)N[C@H](CCC[NH3+])c1ccccc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000417989796 500210655 /nfs/dbraw/zinc/21/06/55/500210655.db2.gz JSGCYXFEAAASHM-HFSMHLIXSA-N 2 0 372.557 3.419 20 0 FGADRP CC(C)N1CC[C@H](NC(=O)NC(C)(C)C[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000418008617 500213518 /nfs/dbraw/zinc/21/35/18/500213518.db2.gz RLJXGGBABNBWBB-JKSUJKDBSA-N 2 0 370.900 3.039 20 0 FGADRP C[NH2+]CCC1CCN(C(=O)NC[C@]2(C)CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000418037904 500218144 /nfs/dbraw/zinc/21/81/44/500218144.db2.gz DQIYIWCQGFPZAN-QFIPXVFZSA-N 2 0 372.557 3.072 20 0 FGADRP CCCN(C(=O)NC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1)C1CC[NH2+]CC1 ZINC000418045550 500219873 /nfs/dbraw/zinc/21/98/73/500219873.db2.gz ONSZVIIZVWPNRE-JOCHJYFZSA-N 2 0 372.557 3.215 20 0 FGADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)NC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000418046185 500220681 /nfs/dbraw/zinc/22/06/81/500220681.db2.gz PYWGWQBNRDBZIS-TZIWHRDSSA-N 2 0 360.546 3.056 20 0 FGADRP CC1(C)C[C@@H]([NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)CO1 ZINC000418071387 500225470 /nfs/dbraw/zinc/22/54/70/500225470.db2.gz WGGBRVSTPMUMQP-VQTJNVASSA-N 2 0 358.526 3.072 20 0 FGADRP CCC[N@H+](C)[C@H](CNC(=O)NC[C@H]1CCC[NH2+]C1)c1ccc(Cl)cc1 ZINC000418179579 500243316 /nfs/dbraw/zinc/24/33/16/500243316.db2.gz JNJGACBGSKTACB-MAUKXSAKSA-N 2 0 366.937 3.022 20 0 FGADRP CCc1ccc([C@H](CNC(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)[NH+](CC)CC)cc1 ZINC000418211836 500249636 /nfs/dbraw/zinc/24/96/36/500249636.db2.gz IUXVECJSJYYKFQ-RLLQIKCJSA-N 2 0 360.546 3.059 20 0 FGADRP CCCN(C(=O)NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)[C@@H]1CC[NH2+]C1 ZINC000418227715 500252920 /nfs/dbraw/zinc/25/29/20/500252920.db2.gz AMPSGUQIPPEUNE-LEWJYISDSA-N 2 0 372.557 3.072 20 0 FGADRP CCCC[C@H](C[NH3+])NC(=O)NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000418240131 500254135 /nfs/dbraw/zinc/25/41/35/500254135.db2.gz PHHDGFZHKFWIPF-VQTJNVASSA-N 2 0 360.546 3.105 20 0 FGADRP CCCC[C@H](C[NH3+])NC(=O)NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000418240132 500254450 /nfs/dbraw/zinc/25/44/50/500254450.db2.gz PHHDGFZHKFWIPF-WOJBJXKFSA-N 2 0 360.546 3.105 20 0 FGADRP CC[NH2+]CC1CC[NH+]([C@H](C)C(=O)Nc2cccc(C(F)(F)F)c2)CC1 ZINC000430575174 500256246 /nfs/dbraw/zinc/25/62/46/500256246.db2.gz UTOPQJQCUVIOAZ-CYBMUJFWSA-N 2 0 357.420 3.354 20 0 FGADRP CC[NH2+]CC1CC[NH+](CC(=O)N(C)[C@H](C)c2cc3ccccc3o2)CC1 ZINC000430577121 500257087 /nfs/dbraw/zinc/25/70/87/500257087.db2.gz UJHOBDSWFCOXDJ-MRXNPFEDSA-N 2 0 357.498 3.274 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)N[C@@H](C[NH3+])C2CCCCC2)C1 ZINC000418379464 500269936 /nfs/dbraw/zinc/26/99/36/500269936.db2.gz KNCYDHCBICJOFN-HBFSDRIKSA-N 2 0 364.578 3.190 20 0 FGADRP CCCC[N@H+](C)CC1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC000426416804 500271227 /nfs/dbraw/zinc/27/12/27/500271227.db2.gz MCSVTFGASJIMKN-UHFFFAOYSA-N 2 0 351.579 3.469 20 0 FGADRP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)c1ccc2c(ccn2CCC[NH3+])c1 ZINC000430696589 500271590 /nfs/dbraw/zinc/27/15/90/500271590.db2.gz QHGHAKBERZEPDZ-SFHVURJKSA-N 2 0 370.541 3.375 20 0 FGADRP CCC([NH3+])(CC)CNC(=O)N1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000418443624 500277023 /nfs/dbraw/zinc/27/70/23/500277023.db2.gz VKNICXKJGXVSKS-UHFFFAOYSA-N 2 0 360.546 3.058 20 0 FGADRP CC(C)(CC[NH3+])NC(=O)NCCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000422593709 500279974 /nfs/dbraw/zinc/27/99/74/500279974.db2.gz GPWODMLWYFFXCY-UHFFFAOYSA-N 2 0 374.573 3.148 20 0 FGADRP C[C@H]([NH3+])c1ccc(CNC(=O)N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)cc1 ZINC000418466247 500280209 /nfs/dbraw/zinc/28/02/09/500280209.db2.gz QXFCKOWNWDETHE-ICSRJNTNSA-N 2 0 372.557 3.360 20 0 FGADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)N[C@@H](C[NH3+])c2ccc3ccccc3c2)C1 ZINC000418503849 500285777 /nfs/dbraw/zinc/28/57/77/500285777.db2.gz ZUCJJLGKTPIHPI-UTKZUKDTSA-N 2 0 368.525 3.213 20 0 FGADRP CCN(C(=O)NC[C@]1(C)CCC[NH2+]C1)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000418512980 500286694 /nfs/dbraw/zinc/28/66/94/500286694.db2.gz FOMPYCRHWDAWDO-SYYKKAFVSA-N 2 0 372.557 3.243 20 0 FGADRP c1cc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)cc(COC2CCOCC2)c1 ZINC000422714335 500288334 /nfs/dbraw/zinc/28/83/34/500288334.db2.gz QWRUDNLOUWGDKL-BHDDXSALSA-N 2 0 358.526 3.393 20 0 FGADRP CN(C)C[C@H](Cc1ccccc1)[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422713850 500288469 /nfs/dbraw/zinc/28/84/69/500288469.db2.gz KJEUSGAIHSNONN-RRPUWOKSSA-N 2 0 365.521 3.005 20 0 FGADRP COCC[N@H+](C)CC[C@H](N[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000422719923 500289020 /nfs/dbraw/zinc/28/90/20/500289020.db2.gz RQDAAQSGHGNCLW-CLAROIROSA-N 2 0 359.558 3.206 20 0 FGADRP CCOC(=O)C1([C@@H](C)[NH2+]CCc2cc(Cl)cc(Cl)c2)CC[NH2+]CC1 ZINC000422721363 500289768 /nfs/dbraw/zinc/28/97/68/500289768.db2.gz VEBNILVSNKWUIF-CYBMUJFWSA-N 2 0 373.324 3.447 20 0 FGADRP COc1ccc(CCC[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422730126 500291018 /nfs/dbraw/zinc/29/10/18/500291018.db2.gz DJKKJPCAKXHZMU-IFMALSPDSA-N 2 0 352.478 3.473 20 0 FGADRP C[C@H](C[C@H]1COCCN1)[NH2+]Cc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000422734522 500291492 /nfs/dbraw/zinc/29/14/92/500291492.db2.gz TYSFNTAMXZZPDZ-NQIIRXRSSA-N 2 0 359.558 3.308 20 0 FGADRP COc1ccc([C@H](C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)N2CCCC2)cc1 ZINC000422758142 500294287 /nfs/dbraw/zinc/29/42/87/500294287.db2.gz NOLMECKWILWVEQ-CBPXPLCBSA-N 2 0 357.542 3.342 20 0 FGADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]CC1(c2cccc(C(F)(F)F)c2)CCOCC1 ZINC000422762547 500295181 /nfs/dbraw/zinc/29/51/81/500295181.db2.gz NXTNDNOBQBAMKY-PBHICJAKSA-N 2 0 356.432 3.471 20 0 FGADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CC1(c2ccc(F)cc2)CCOCC1 ZINC000422768552 500296190 /nfs/dbraw/zinc/29/61/90/500296190.db2.gz URRIGCNJQUUPDK-UWJYYQICSA-N 2 0 356.485 3.422 20 0 FGADRP CCOC(=O)C1([C@H](C)[NH2+][C@H](c2ccc(F)cc2)C(C)C)CC[NH2+]CC1 ZINC000422781790 500297551 /nfs/dbraw/zinc/29/75/51/500297551.db2.gz JGOQUDLYVSXUNZ-YJBOKZPZSA-N 2 0 350.478 3.434 20 0 FGADRP CCOc1c(C[N@@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)c(C)nn1CC(C)C ZINC000582328231 506187902 /nfs/dbraw/zinc/18/79/02/506187902.db2.gz QLTZMXIPZGCBEC-IBGZPJMESA-N 2 0 362.562 3.410 20 0 FGADRP C[C@@H](C(=O)NC[C@H](c1c(F)cccc1Cl)N1CCCC1)N1CC(C)C1 ZINC000570527372 506187940 /nfs/dbraw/zinc/18/79/40/506187940.db2.gz SQUMHFNTMSQNKF-WMLDXEAASA-N 2 0 367.896 3.072 20 0 FGADRP Cc1ccc([C@@H]2OCCC[C@@H]2C[NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000422813667 500301083 /nfs/dbraw/zinc/30/10/83/500301083.db2.gz YKHHXKGTUWPYFA-YHINDDMVSA-N 2 0 358.526 3.209 20 0 FGADRP C[NH+](C)CCN(Cc1cccs1)C(=O)N[C@@H](CCC[NH3+])c1ccccc1 ZINC000418658154 500302440 /nfs/dbraw/zinc/30/24/40/500302440.db2.gz JDYKGAZBIPTMBE-IBGZPJMESA-N 2 0 374.554 3.302 20 0 FGADRP COc1ccc(Cl)cc1NC(=O)CC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000422824263 500302649 /nfs/dbraw/zinc/30/26/49/500302649.db2.gz NEPZDYAUDYHBCJ-XHSDSOJGSA-N 2 0 365.905 3.188 20 0 FGADRP CCOC(=O)C1([C@H](C)[NH2+][C@H]2c3cccc(F)c3CC[C@H]2C)CC[NH2+]CC1 ZINC000422842656 500304700 /nfs/dbraw/zinc/30/47/00/500304700.db2.gz YTQCZNSJWSJTBZ-ZRGWGRIASA-N 2 0 362.489 3.360 20 0 FGADRP CC[C@@H](C(=O)N1CCC([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1)c1ccccc1 ZINC000422849989 500305588 /nfs/dbraw/zinc/30/55/88/500305588.db2.gz VLQBSOPJRBJUCJ-JGUMPVPUSA-N 2 0 355.526 3.044 20 0 FGADRP CCN(CC[NH+]1CCCCCC1)C(=O)N[C@@H](CCC[NH3+])c1ccccc1 ZINC000418673009 500305711 /nfs/dbraw/zinc/30/57/11/500305711.db2.gz MYHPSSYLFHDHBG-FQEVSTJZSA-N 2 0 360.546 3.374 20 0 FGADRP CCCC[C@H]([NH2+][C@@H](C)C[C@@H](C)[NH3+])C(=O)Nc1cccc(N2CCCC2)c1 ZINC000422859594 500306741 /nfs/dbraw/zinc/30/67/41/500306741.db2.gz KMEONLVJUXRBQL-UWVAXJGDSA-N 2 0 360.546 3.500 20 0 FGADRP C[C@H]([NH3+])C1CC[NH+](CC(=O)N[C@H](c2ccccc2)C2CCCCC2)CC1 ZINC000430920622 500307367 /nfs/dbraw/zinc/30/73/67/500307367.db2.gz PPIIEAJIPGZQGL-HTAPYJJXSA-N 2 0 357.542 3.483 20 0 FGADRP C[C@H](O)C[C@H](C[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1ccccc1 ZINC000422872249 500307867 /nfs/dbraw/zinc/30/78/67/500307867.db2.gz GGUUEGVULHTXSX-GBPFJNKXSA-N 2 0 366.505 3.387 20 0 FGADRP COc1ccc([C@@H]2CCCCCN2C(=O)C[NH+]2CCC([C@H](C)[NH3+])CC2)cc1 ZINC000430925809 500307892 /nfs/dbraw/zinc/30/78/92/500307892.db2.gz DWWYIRMUNVTFSH-UWJYYQICSA-N 2 0 373.541 3.198 20 0 FGADRP C[C@H](CCCC[NH3+])NC(=O)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000418690550 500308498 /nfs/dbraw/zinc/30/84/98/500308498.db2.gz HEXIIISSDNIGAH-LJQANCHMSA-N 2 0 372.557 3.202 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422874443 500308838 /nfs/dbraw/zinc/30/88/38/500308838.db2.gz CYKHHVPDBSTDMA-UZKOGDIHSA-N 3 0 357.542 3.487 20 0 FGADRP C[C@H]([NH2+]CC1(c2ccc(Br)cc2)CCOCC1)[C@H]1CCC[NH2+]1 ZINC000422883265 500310017 /nfs/dbraw/zinc/31/00/17/500310017.db2.gz UOPSMVMRTZRWPD-WMLDXEAASA-N 2 0 367.331 3.227 20 0 FGADRP COc1cc(OC)c(CC[NH2+][C@H](C)C[C@@H]2CCCCC[NH2+]2)c(OC)c1 ZINC000422884265 500310242 /nfs/dbraw/zinc/31/02/42/500310242.db2.gz DQVCAVQOAQCVHT-CVEARBPZSA-N 2 0 350.503 3.155 20 0 FGADRP CC[NH+](CC)CCN(Cc1ccccc1)C(=O)NC[C@H]1CCC[C@@H]([NH3+])C1 ZINC000418706755 500310344 /nfs/dbraw/zinc/31/03/44/500310344.db2.gz BEAMGUKMHNVEQW-VQTJNVASSA-N 2 0 360.546 3.058 20 0 FGADRP C[C@@H]1CCC[N@H+](CCCC[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000422886522 500310747 /nfs/dbraw/zinc/31/07/47/500310747.db2.gz WTMVVDQJORUJQY-SYYKKAFVSA-N 3 0 357.542 3.344 20 0 FGADRP CC[NH+](CC)CCCC1CCN(C(=O)NC[C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000418719528 500312108 /nfs/dbraw/zinc/31/21/08/500312108.db2.gz KRTZHAFFDYJCOC-RTBURBONSA-N 2 0 352.567 3.048 20 0 FGADRP CC[NH+]1CCN(Cc2ccccc2CN[C@H]2C[C@H]([NH3+])c3ccccc32)CC1 ZINC000422893940 500312124 /nfs/dbraw/zinc/31/21/24/500312124.db2.gz RPWISIMYJYNNSB-GOTSBHOMSA-N 2 0 364.537 3.059 20 0 FGADRP CC[NH+]1CCN(Cc2ccccc2CN[C@H]2C[C@@H]([NH3+])c3ccccc32)CC1 ZINC000422893941 500312216 /nfs/dbraw/zinc/31/22/16/500312216.db2.gz RPWISIMYJYNNSB-PKTZIBPZSA-N 2 0 364.537 3.059 20 0 FGADRP C[C@@H]1C[N@H+](CCC(=O)Nc2ccccc2Oc2ccccc2)CC[C@H]1[NH3+] ZINC000430966428 500314245 /nfs/dbraw/zinc/31/42/45/500314245.db2.gz OSVPDWFHBMZDOI-SJLPKXTDSA-N 2 0 353.466 3.477 20 0 FGADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+][C@@H]1CCCN(Cc2c(F)cccc2F)C1 ZINC000422905395 500314308 /nfs/dbraw/zinc/31/43/08/500314308.db2.gz IGPVWGXKXWTYOP-AQOAWAETSA-N 2 0 373.491 3.477 20 0 FGADRP COc1ccccc1Oc1ccc(C[NH2+][C@@H]2CCOC[C@H]2[C@H](C)[NH3+])cc1 ZINC000422905712 500314343 /nfs/dbraw/zinc/31/43/43/500314343.db2.gz IUEUNAGDTDEJRJ-ZYSHUDEJSA-N 2 0 356.466 3.329 20 0 FGADRP COc1ccc(C[NH+]2CCC([C@H](C)[NH3+])CC2)c(Br)c1OC ZINC000430967414 500314870 /nfs/dbraw/zinc/31/48/70/500314870.db2.gz SRZYWFGAJKQOAL-NSHDSACASA-N 2 0 357.292 3.026 20 0 FGADRP C[NH2+]C[C@H](C)C[NH2+][C@@H](C)CCc1ccc(I)cc1 ZINC000423270751 500360424 /nfs/dbraw/zinc/36/04/24/500360424.db2.gz IJFWKSRTUBBTBW-STQMWFEESA-N 2 0 360.283 3.057 20 0 FGADRP COC[C@H]([NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ccc(F)cc1 ZINC000422919885 500317053 /nfs/dbraw/zinc/31/70/53/500317053.db2.gz LFTDXEHRSJNRJD-IRFCIJBXSA-N 2 0 356.441 3.359 20 0 FGADRP Cc1ccc(Br)cc1NC(=O)CC[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000422956342 500323036 /nfs/dbraw/zinc/32/30/36/500323036.db2.gz PMBWGWXDWAXFQN-DZGCQCFKSA-N 2 0 368.319 3.193 20 0 FGADRP O=C(NCc1ccco1)c1cccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)c1 ZINC000422977472 500325874 /nfs/dbraw/zinc/32/58/74/500325874.db2.gz WUXSIHXEYSXDOI-NJDAHSKKSA-N 2 0 367.493 3.220 20 0 FGADRP C[C@@H](NC(=O)[C@@H](C)[NH+]1CCC2(CC[NH2+]C2)CC1)c1cc2ccccc2o1 ZINC000431040499 500327069 /nfs/dbraw/zinc/32/70/69/500327069.db2.gz MZBIIJGYBDMROB-HZPDHXFCSA-N 2 0 355.482 3.074 20 0 FGADRP Fc1ccc(-n2nc(C[NH+]3CCC4(CC[NH2+]C4)CC3)c3c2CCC3)cc1 ZINC000431039556 500327125 /nfs/dbraw/zinc/32/71/25/500327125.db2.gz XPXSBCKQXIMQIG-UHFFFAOYSA-N 2 0 354.473 3.076 20 0 FGADRP CCOC(=O)C1([C@H](C)[NH2+][C@@H]2CCC[C@H]2OCc2ccccc2)CC[NH2+]CC1 ZINC000422986362 500327424 /nfs/dbraw/zinc/32/74/24/500327424.db2.gz CGKOJGDIMPICLI-DFQSSKMNSA-N 2 0 374.525 3.035 20 0 FGADRP CCC1(C[NH2+][C@@H]2CCOC[C@H]2[C@H](C)[NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000423004470 500329643 /nfs/dbraw/zinc/32/96/43/500329643.db2.gz PCWBDWNRMNTLLC-SESVDKBCSA-N 3 0 359.558 3.021 20 0 FGADRP CCC1(C[NH2+][C@@H]2CCOC[C@@H]2[C@H](C)[NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000423004467 500329842 /nfs/dbraw/zinc/32/98/42/500329842.db2.gz PCWBDWNRMNTLLC-CEWLAPEOSA-N 3 0 359.558 3.021 20 0 FGADRP CCC1(C[NH2+][C@H](C)C[C@@H]2COCCN2)CC[NH+](Cc2ccccc2)CC1 ZINC000423003522 500330033 /nfs/dbraw/zinc/33/00/33/500330033.db2.gz MOXQBZBWJNKISB-TZIWHRDSSA-N 2 0 359.558 3.035 20 0 FGADRP C[C@@H]1C[C@H](CC[NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)C[N@@H+]1Cc1ccccc1 ZINC000423005955 500330255 /nfs/dbraw/zinc/33/02/55/500330255.db2.gz TVNDWDAGKCNPDK-OOWPADAASA-N 3 0 371.569 3.034 20 0 FGADRP FC(F)(F)c1cccc(OCC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)n1 ZINC000423017842 500332005 /nfs/dbraw/zinc/33/20/05/500332005.db2.gz XFVALJRAVNZUJC-RBSFLKMASA-N 2 0 357.420 3.380 20 0 FGADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)cc1 ZINC000423026245 500332749 /nfs/dbraw/zinc/33/27/49/500332749.db2.gz PWLAPDPVNADUFP-VIZZQPHQSA-N 2 0 372.900 3.125 20 0 FGADRP Fc1ccc(CC[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c(F)c1F ZINC000423028085 500332956 /nfs/dbraw/zinc/33/29/56/500332956.db2.gz FTHQDUFGRXIGLY-OXQOHEQNSA-N 2 0 362.395 3.492 20 0 FGADRP COc1cc(Br)ccc1CCC[NH2+]C1CCC(C[NH3+])CC1 ZINC000423037223 500333877 /nfs/dbraw/zinc/33/38/77/500333877.db2.gz VVHBHJRZWONGML-UHFFFAOYSA-N 2 0 355.320 3.497 20 0 FGADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CCc1ccc(OCC(F)(F)F)nc1 ZINC000423044831 500334490 /nfs/dbraw/zinc/33/44/90/500334490.db2.gz BFJSPPOVQFBVIE-GFCCVEGCSA-N 2 0 368.403 3.078 20 0 FGADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423050216 500335829 /nfs/dbraw/zinc/33/58/29/500335829.db2.gz YKRXFWOMJDSXPX-FUHIMQAGSA-N 3 0 352.526 3.410 20 0 FGADRP Fc1cccc2c1OCC[C@@H]2[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423061897 500336625 /nfs/dbraw/zinc/33/66/25/500336625.db2.gz RWDQRKUQMYXCJH-BBTUJRGHSA-N 2 0 354.425 3.495 20 0 FGADRP CCN(CC[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)CCC(F)(F)F ZINC000423069929 500337943 /nfs/dbraw/zinc/33/79/43/500337943.db2.gz FKZWFSBDHYRBTQ-SJLPKXTDSA-N 2 0 371.447 3.106 20 0 FGADRP Cc1ccc(C[NH2+][C@@H](C)c2ccc(C[NH3+])nc2C)c(-n2cc(Cl)cn2)n1 ZINC000423072549 500338377 /nfs/dbraw/zinc/33/83/77/500338377.db2.gz PROUEQOZCSOJQI-ZDUSSCGKSA-N 2 0 370.888 3.242 20 0 FGADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C[C@H](CO)Cc1cc(F)c(F)c(F)c1 ZINC000423076707 500339392 /nfs/dbraw/zinc/33/93/92/500339392.db2.gz RTCXINMEZZZMET-BMFZPTHFSA-N 2 0 358.448 3.155 20 0 FGADRP c1ccc(CN2CCSC[C@@H]2C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000423075633 500339562 /nfs/dbraw/zinc/33/95/62/500339562.db2.gz PABBEHCCBQYHCZ-JSXRDJHFSA-N 2 0 359.583 3.114 20 0 FGADRP C[C@@H]1C[C@@H](CCNC(=O)[C@@H]2CCC[N@@H+]2C2CC2)C[NH+]1Cc1ccccc1 ZINC000426980428 500340767 /nfs/dbraw/zinc/34/07/67/500340767.db2.gz AHKNERIMXUDEEC-QFUCXCTJSA-N 2 0 355.526 3.030 20 0 FGADRP CCOC(=O)C1([C@@H](C)[NH2+]Cc2cccc(SCC)c2)CC[NH2+]CC1 ZINC000423124338 500345287 /nfs/dbraw/zinc/34/52/87/500345287.db2.gz GFABFYXOTZDWAF-OAHLLOKOSA-N 2 0 350.528 3.210 20 0 FGADRP COc1ccc(CC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)c(Cl)c1OC ZINC000423127274 500345939 /nfs/dbraw/zinc/34/59/39/500345939.db2.gz BTNADDHZKPRKSW-ARFHVFGLSA-N 2 0 352.906 3.410 20 0 FGADRP Cc1ccc(C[C@@H](CO)C[NH2+][C@@H](C)CCCC[NH3+])cc1Br ZINC000423153552 500349140 /nfs/dbraw/zinc/34/91/40/500349140.db2.gz HSRVZEAIHWHLBU-GOEBONIOSA-N 2 0 357.336 3.016 20 0 FGADRP Cc1c(Br)cccc1C[C@H](CO)C[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000423152371 500349304 /nfs/dbraw/zinc/34/93/04/500349304.db2.gz FSCBDMKDYXGXMD-YXJHDRRASA-N 2 0 369.347 3.016 20 0 FGADRP CCOC(=O)c1cnn(C2CC[NH+]([C@@H](C)C[C@@H]3CCCCC[NH2+]3)CC2)c1 ZINC000423152411 500349384 /nfs/dbraw/zinc/34/93/84/500349384.db2.gz DZEMXWZPNXOQLQ-WMZOPIPTSA-N 2 0 362.518 3.008 20 0 FGADRP CCCOc1c(OC)cc(CC[NH2+][C@@H]2CCCC[C@H]2C[NH3+])cc1OC ZINC000423160197 500349686 /nfs/dbraw/zinc/34/96/86/500349686.db2.gz ZDSBMARTYGKUIT-DLBZAZTESA-N 2 0 350.503 3.142 20 0 FGADRP Fc1ccc(-c2nc3c(s2)[C@H]([NH2+]CCCN2CC[NH2+]CC2)CCC3)cc1 ZINC000423176821 500352152 /nfs/dbraw/zinc/35/21/52/500352152.db2.gz HZWKIFNKZPGLHP-QGZVFWFLSA-N 2 0 374.529 3.212 20 0 FGADRP C[C@@H]([NH2+]CCCN1CC[NH2+]CC1)[C@@H](C)Oc1ccc(Cl)cc1Cl ZINC000423183076 500352290 /nfs/dbraw/zinc/35/22/90/500352290.db2.gz RCJBZRGEQBELDD-ZIAGYGMSSA-N 2 0 360.329 3.034 20 0 FGADRP C[C@H]([NH2+]CCCN1CC[NH2+]CC1)c1cccc(OCc2ccccc2)c1 ZINC000423187246 500353076 /nfs/dbraw/zinc/35/30/76/500353076.db2.gz XPNDKYMJRQIWHQ-IBGZPJMESA-N 2 0 353.510 3.212 20 0 FGADRP Brc1cccc([C@@H]([NH2+]CCN2CC[NH2+]CC2)c2ccccc2)c1 ZINC000423207145 500354532 /nfs/dbraw/zinc/35/45/32/500354532.db2.gz RFFRIRQDRAVXBM-IBGZPJMESA-N 2 0 374.326 3.033 20 0 FGADRP CC(C)[C@H](C(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1)[C@@H](C)[NH3+] ZINC000423339741 500365597 /nfs/dbraw/zinc/36/55/97/500365597.db2.gz WVOCHXHVXSBATB-OLMNPRSZSA-N 2 0 351.922 3.213 20 0 FGADRP C[C@H]([NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc2ccccc2c1 ZINC000423372184 500368288 /nfs/dbraw/zinc/36/82/88/500368288.db2.gz AWZOMQFEGOCDSP-KSSFIOAISA-N 2 0 351.416 3.327 20 0 FGADRP Cc1ccc([C@@H]([NH2+]C[C@H](N2CC[NH2+]CC2)C(F)(F)F)C2CCCC2)o1 ZINC000423374545 500368341 /nfs/dbraw/zinc/36/83/41/500368341.db2.gz CIFYVXSLJGJIEO-IRXDYDNUSA-N 2 0 359.436 3.245 20 0 FGADRP C[C@H](CCc1ccc(I)cc1)[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000423378225 500369165 /nfs/dbraw/zinc/36/91/65/500369165.db2.gz WGKJKROMOWUVFW-UHOFOFEASA-N 2 0 372.294 3.472 20 0 FGADRP CCSc1ccccc1[C@H](C)[NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000423399223 500370218 /nfs/dbraw/zinc/37/02/18/500370218.db2.gz WDUNNXBMFNSAFM-BBRMVZONSA-N 2 0 361.477 3.285 20 0 FGADRP COCC1(C[NH2+][C@@H]2CCc3sc(Br)cc32)CC[NH2+]CC1 ZINC000423410216 500371733 /nfs/dbraw/zinc/37/17/33/500371733.db2.gz RMIBEYMMJFKIGV-GFCCVEGCSA-N 2 0 359.333 3.104 20 0 FGADRP COCC1(C[NH2+][C@@H](c2ccccc2)c2ccc(OC)cc2)CC[NH2+]CC1 ZINC000423410725 500371747 /nfs/dbraw/zinc/37/17/47/500371747.db2.gz SOSNVVDFWCUPGK-NRFANRHFSA-N 2 0 354.494 3.390 20 0 FGADRP C[C@@H]1CC[N@H+](CCOc2ccc(NC(=O)C[C@H]3CCC[NH2+]CC3)cc2)C1 ZINC000427275911 500376722 /nfs/dbraw/zinc/37/67/22/500376722.db2.gz VEEMTODHOQMPIP-MSOLQXFVSA-N 2 0 359.514 3.126 20 0 FGADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000423461911 500376802 /nfs/dbraw/zinc/37/68/02/500376802.db2.gz OPWODRWVLSVYKX-JKOLBHCTSA-N 3 0 353.554 3.393 20 0 FGADRP O=C(C[C@H]1CCC[NH2+]CC1)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000427299804 500379057 /nfs/dbraw/zinc/37/90/57/500379057.db2.gz QJVSAROUBZEXSC-INIZCTEOSA-N 2 0 363.933 3.200 20 0 FGADRP CC1CC[NH+]([C@H](CNC(=O)C[C@H]2CCC[NH2+]CC2)c2ccccc2)CC1 ZINC000427320373 500380908 /nfs/dbraw/zinc/38/09/08/500380908.db2.gz LEIRTLJOPKRKCF-PZJWPPBQSA-N 2 0 357.542 3.356 20 0 FGADRP C[C@@H](CCCc1cccnc1)[NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1 ZINC000423516040 500381362 /nfs/dbraw/zinc/38/13/62/500381362.db2.gz ANBZLNXVRSHAOV-FQEVSTJZSA-N 2 0 366.553 3.376 20 0 FGADRP COc1ccc([C@H](Cc2ccncc2)[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000423543586 500383674 /nfs/dbraw/zinc/38/36/74/500383674.db2.gz NIFQXYJRLOMOMK-VMBXEPDQSA-N 2 0 351.494 3.352 20 0 FGADRP CC[C@@H]([NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1)c1ccc(F)cn1 ZINC000423551552 500384456 /nfs/dbraw/zinc/38/44/56/500384456.db2.gz GCJMLBDCEIMVHA-LJQANCHMSA-N 2 0 356.489 3.255 20 0 FGADRP COc1ccc([C@H](C)[NH2+]CC2(N)CC[NH+](Cc3ccccc3)CC2)c(F)c1 ZINC000423579069 500386421 /nfs/dbraw/zinc/38/64/21/500386421.db2.gz VQIXEQHWDGMVNS-KRWDZBQOSA-N 2 0 371.500 3.478 20 0 FGADRP [NH3+]C[C@@H](Cc1ccccc1)[C@@H]1CCCCN1C(=O)c1ccc2c[nH+]cn2c1 ZINC000423619230 500389604 /nfs/dbraw/zinc/38/96/04/500389604.db2.gz YINNXYCOANEPOR-CTNGQTDRSA-N 2 0 362.477 3.147 20 0 FGADRP C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)CCC1CC[NH2+]CC1 ZINC000423735192 500397632 /nfs/dbraw/zinc/39/76/32/500397632.db2.gz AJOSYJOIRJNSDK-UHFFFAOYSA-N 2 0 351.922 3.010 20 0 FGADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000431681535 500407573 /nfs/dbraw/zinc/40/75/73/500407573.db2.gz MVHPXRQBFHFGGF-VJANTYMQSA-N 2 0 352.567 3.059 20 0 FGADRP C[C@H]([NH2+][C@H]1COc2ccc(F)cc2C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000579520701 506193824 /nfs/dbraw/zinc/19/38/24/506193824.db2.gz KRPWEROBGIIOOW-HNAYVOBHSA-N 2 0 358.457 3.420 20 0 FGADRP CC(C)[NH+]1CCN(c2cccc(NC(=O)[C@@H]3CCCC[C@@]3(C)[NH3+])c2)CC1 ZINC000423854879 500412693 /nfs/dbraw/zinc/41/26/93/500412693.db2.gz WDTDDUOEBPDCRD-PZJWPPBQSA-N 2 0 358.530 3.063 20 0 FGADRP C[C@@H]1C[C@@H](CCNC(=O)[C@@H]2[NH2+]CCCC2(C)C)C[N@@H+]1Cc1ccccc1 ZINC000423910738 500418233 /nfs/dbraw/zinc/41/82/33/500418233.db2.gz VERFXEGEKXWINU-RLLQIKCJSA-N 2 0 357.542 3.182 20 0 FGADRP C[N@@H+]1CCCN(CCC[NH2+][C@H]2CCCc3ncc(C(F)(F)F)cc32)CC1 ZINC000427697027 500421912 /nfs/dbraw/zinc/42/19/12/500421912.db2.gz LLZLAMNZKKRGHL-KRWDZBQOSA-N 2 0 370.463 3.095 20 0 FGADRP C[C@H]([NH3+])C1CC[NH+]([C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)CC1 ZINC000420299412 500437038 /nfs/dbraw/zinc/43/70/38/500437038.db2.gz UAGYUSJZSKEAKK-MEDUHNTESA-N 2 0 356.297 3.158 20 0 FGADRP C[C@H](c1cccc(Br)c1)[N@@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000420328394 500442257 /nfs/dbraw/zinc/44/22/57/500442257.db2.gz MJHTXSGDJJKYEW-UKRRQHHQSA-N 2 0 353.304 3.197 20 0 FGADRP Fc1ccc(-n2nc(C[NH+]3CCC([C@@H]4CCC[NH2+]4)CC3)c3c2CCC3)cc1 ZINC000420336228 500444220 /nfs/dbraw/zinc/44/42/20/500444220.db2.gz LXBMFZSEIJJKRA-FQEVSTJZSA-N 2 0 368.500 3.464 20 0 FGADRP C[C@@H](C(=O)Nc1cccc(C(F)(F)F)c1)[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000420337149 500444266 /nfs/dbraw/zinc/44/42/66/500444266.db2.gz JMZRDRIWKVJXBR-SUMWQHHRSA-N 2 0 369.431 3.496 20 0 FGADRP CCC[C@H](NC(=O)[C@H](C)[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)c1ccccc1 ZINC000420344270 500445746 /nfs/dbraw/zinc/44/57/46/500445746.db2.gz SJOISRKNTJAWFA-KCLUMXDGSA-N 2 0 357.542 3.354 20 0 FGADRP Cc1ccc(-c2noc(CCC[N@@H+]3CCC[C@]4(CC[NH2+]C4)C3)n2)cc1F ZINC000420377225 500451222 /nfs/dbraw/zinc/45/12/22/500451222.db2.gz PMXPPIQIJNWHTC-HXUWFJFHSA-N 2 0 358.461 3.192 20 0 FGADRP [NH3+][C@H]1CCO[C@@H](C2CC[NH+](CCOc3ccc4ccccc4c3)CC2)C1 ZINC000420388034 500453285 /nfs/dbraw/zinc/45/32/85/500453285.db2.gz KRBQPLCCAGGOFW-RBBKRZOGSA-N 2 0 354.494 3.437 20 0 FGADRP CSc1ccc(OCC[NH+]2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)cc1 ZINC000420391106 500454238 /nfs/dbraw/zinc/45/42/38/500454238.db2.gz OARDNSUQZOWMND-APWZRJJASA-N 2 0 350.528 3.006 20 0 FGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]CC[C@H]2CCC[NH2+]C2)CC1 ZINC000420415288 500457495 /nfs/dbraw/zinc/45/74/95/500457495.db2.gz VARZDKFFGSCMGQ-QZTJIDSGSA-N 3 0 362.537 3.008 20 0 FGADRP C[C@H](NC(=O)C[N@@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2)c1cccc2ccccc21 ZINC000424288088 500481768 /nfs/dbraw/zinc/48/17/68/500481768.db2.gz KCTRYLXNUUNCGL-ROUUACIJSA-N 2 0 365.521 3.481 20 0 FGADRP CC(C)O[C@@H](C[N@@H+]1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1)c1ccccc1 ZINC000428301312 500493167 /nfs/dbraw/zinc/49/31/67/500493167.db2.gz OWMTZGYBMNAPDC-UGKGYDQZSA-N 2 0 359.558 3.253 20 0 FGADRP Cc1ccc(-c2ncc(C[NH+]3CCC(n4ncc5c4C[NH2+]C5)CC3)s2)o1 ZINC000424378823 500494006 /nfs/dbraw/zinc/49/40/06/500494006.db2.gz NYWDNYYOEPHDCX-UHFFFAOYSA-N 2 0 369.494 3.348 20 0 FGADRP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC2CCC([NH+](C)C)CC2)C1 ZINC000420798393 500504002 /nfs/dbraw/zinc/50/40/02/500504002.db2.gz XGLNQJICKIAVPQ-AOCRQIFASA-N 2 0 352.567 3.059 20 0 FGADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NC1CCC([NH+](C)C)CC1 ZINC000420800754 500504538 /nfs/dbraw/zinc/50/45/38/500504538.db2.gz JRYAQFGDCQWWMM-RLHVNXBHSA-N 2 0 372.557 3.069 20 0 FGADRP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)NC2CCC([NH+](C)C)CC2)CC1 ZINC000420919763 500530306 /nfs/dbraw/zinc/53/03/06/500530306.db2.gz SPABSVBKRVLROD-OCDPCBSRSA-N 2 0 372.557 3.384 20 0 FGADRP CC[N@@H+]1CCCN(C(=O)NCc2ccccc2C[NH+]2CCCC[C@H]2C)CC1 ZINC000428699571 500545519 /nfs/dbraw/zinc/54/55/19/500545519.db2.gz KLQKWPYBBARMIX-LJQANCHMSA-N 2 0 372.557 3.298 20 0 FGADRP CC[NH+]1CCC(N2CCC[N@H+](CCCC(=O)c3ccccc3)CC2)CC1 ZINC000420975878 500545776 /nfs/dbraw/zinc/54/57/76/500545776.db2.gz GFRNPNJGRTVSHZ-UHFFFAOYSA-N 2 0 357.542 3.142 20 0 FGADRP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+]2CC[C@H](C)C[C@@H](C)C2)CC1 ZINC000432781781 500562869 /nfs/dbraw/zinc/56/28/69/500562869.db2.gz PTMPCTVGGPFARD-RBUKOAKNSA-N 2 0 371.569 3.444 20 0 FGADRP C[N@H+](CCC1CCOCC1)[C@H]1CCC[NH+](CCC2CCOCC2)CC1 ZINC000432785225 500563436 /nfs/dbraw/zinc/56/34/36/500563436.db2.gz SDUHHBZYQNESPN-NRFANRHFSA-N 2 0 352.563 3.406 20 0 FGADRP COC1(C[NH2+]Cc2ccc(C[NH+]3C[C@H](C)C[C@@H](C)C3)cc2)CCOCC1 ZINC000428848840 500565323 /nfs/dbraw/zinc/56/53/23/500565323.db2.gz KAQDDFNZGJQABJ-RTBURBONSA-N 2 0 360.542 3.450 20 0 FGADRP C[C@@H]1CC[N@H+](CCOc2ccc(NC(=O)[C@@](C)([NH3+])c3ccccc3)cc2)C1 ZINC000447435407 500605607 /nfs/dbraw/zinc/60/56/07/500605607.db2.gz OHQBWXRNPGSVGZ-VGSWGCGISA-N 2 0 367.493 3.220 20 0 FGADRP C[C@H](C[NH2+][C@@H](Cc1ccc(F)cc1)c1ccccc1)N1CC[NH+](C)CC1 ZINC000447543390 500621236 /nfs/dbraw/zinc/62/12/36/500621236.db2.gz LLCJDYJACMXCBV-GCJKJVERSA-N 2 0 355.501 3.335 20 0 FGADRP Cc1ccc([C@@H](CCn2cncn2)[NH2+]CC2CC[NH+](C3CC3)CC2)cc1 ZINC000447568848 500626298 /nfs/dbraw/zinc/62/62/98/500626298.db2.gz MWRRRZOMSFIYIC-OAQYLSRUSA-N 2 0 353.514 3.182 20 0 FGADRP OCCOc1ccc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cc1 ZINC000447578873 500628348 /nfs/dbraw/zinc/62/83/48/500628348.db2.gz HXTSDWKXZCCHQS-KOUNCHBCSA-N 2 0 366.505 3.343 20 0 FGADRP CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433116901 500629705 /nfs/dbraw/zinc/62/97/05/500629705.db2.gz NHMHLHHYLJPCSN-RTWAWAEBSA-N 2 0 357.542 3.375 20 0 FGADRP [NH3+]C1CC[NH+](CCCC(=O)N(Cc2ccccc2)Cc2ccccc2)CC1 ZINC000433138667 500633645 /nfs/dbraw/zinc/63/36/45/500633645.db2.gz YUPDALWMCVWMRC-UHFFFAOYSA-N 2 0 365.521 3.419 20 0 FGADRP C[C@H](NC(=O)CCC[NH+]1CCC([NH3+])CC1)c1ccccc1C(F)(F)F ZINC000433144976 500634471 /nfs/dbraw/zinc/63/44/71/500634471.db2.gz OOWCYULNLULVKQ-ZDUSSCGKSA-N 2 0 357.420 3.086 20 0 FGADRP C[N@@H+]1CCN(CC[NH2+][C@@H]2CCCc3ncc(C(F)(F)F)cc32)CC1(C)C ZINC000442866929 500636080 /nfs/dbraw/zinc/63/60/80/500636080.db2.gz JPFANJZJAZTDKS-MRXNPFEDSA-N 2 0 370.463 3.093 20 0 FGADRP CC(C)[C@H](Cc1ccc(F)cc1)N(C)C(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433158114 500636955 /nfs/dbraw/zinc/63/69/55/500636955.db2.gz OTKIRKFTVQMMFV-FQEVSTJZSA-N 2 0 363.521 3.055 20 0 FGADRP C[C@@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)c1ccccc1Br ZINC000442869535 500637048 /nfs/dbraw/zinc/63/70/48/500637048.db2.gz BOPPAJLUGFTCHP-CQSZACIVSA-N 2 0 354.336 3.126 20 0 FGADRP CCCCCNC(=O)C[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433179728 500640120 /nfs/dbraw/zinc/64/01/20/500640120.db2.gz WWLOKBVBQUBKFM-UHFFFAOYSA-N 2 0 357.542 3.281 20 0 FGADRP CN(CC(=O)Nc1cccc2c1OCC[C@@H]2[NH+](C)C)Cc1ccccc1 ZINC000447723079 500653033 /nfs/dbraw/zinc/65/30/33/500653033.db2.gz MUYFLGLTZRYHRZ-IBGZPJMESA-N 2 0 353.466 3.142 20 0 FGADRP CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443058421 500670379 /nfs/dbraw/zinc/67/03/79/500670379.db2.gz AAGVMXLENZXTAZ-CYBMUJFWSA-N 2 0 358.313 3.013 20 0 FGADRP COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443061200 500671502 /nfs/dbraw/zinc/67/15/02/500671502.db2.gz RDLHVWLPSWMXCB-KBPBESRZSA-N 2 0 353.894 3.045 20 0 FGADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)NC[C@H]1[NH+](C)CCCC1(C)C ZINC000447966828 500697699 /nfs/dbraw/zinc/69/76/99/500697699.db2.gz LDOHNGADPUTPAA-HXUWFJFHSA-N 2 0 374.573 3.446 20 0 FGADRP C[C@@H]1C[C@H](NC(=O)[C@@]23CCC[C@@H]2C[NH+](Cc2ccccc2)C3)C[N@@H+]1C1CC1 ZINC000443275578 500702999 /nfs/dbraw/zinc/70/29/99/500702999.db2.gz PVJFGJMJYSSFJJ-OYWYANMWSA-N 2 0 367.537 3.030 20 0 FGADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)NC[C@@H]2CCC[NH+]2C2CCCCC2)C1 ZINC000438159870 500748023 /nfs/dbraw/zinc/74/80/23/500748023.db2.gz UMDBZKIEPNYZOT-ICSRJNTNSA-N 2 0 364.578 3.157 20 0 FGADRP CCCC[NH+]1CCC(NC(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)CC1 ZINC000438165212 500749183 /nfs/dbraw/zinc/74/91/83/500749183.db2.gz ZZSOHLWDHKJKGK-HXUWFJFHSA-N 2 0 364.578 3.347 20 0 FGADRP Cc1ccc(Cl)c(OC[C@@H](O)C[NH2+]C[C@H]2CCC[N@@H+](C(C)C)C2)c1 ZINC000570710425 506214826 /nfs/dbraw/zinc/21/48/26/506214826.db2.gz ZTLIRGDSUWHROT-SJORKVTESA-N 2 0 354.922 3.098 20 0 FGADRP CC(C)[C@H](C(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)[C@H](C)[NH3+] ZINC000570712669 506214970 /nfs/dbraw/zinc/21/49/70/506214970.db2.gz NLXBGIWQFOMHFH-WBAXXEDZSA-N 2 0 351.922 3.213 20 0 FGADRP O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000433940278 500768596 /nfs/dbraw/zinc/76/85/96/500768596.db2.gz KQCJJHVFCYFDLG-SFTDATJTSA-N 2 0 370.541 3.140 20 0 FGADRP CC(C)[C@@H]1CC[N@H+](CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)C1 ZINC000438475995 500789846 /nfs/dbraw/zinc/78/98/46/500789846.db2.gz DRBACFPYSVFTQC-GOSISDBHSA-N 2 0 361.555 3.152 20 0 FGADRP Cc1cccc(CN(CC[NH+](C)C)C(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)c1 ZINC000434352891 500831186 /nfs/dbraw/zinc/83/11/86/500831186.db2.gz QIBIBWPGDHKINS-OAQYLSRUSA-N 2 0 372.557 3.085 20 0 FGADRP C[C@@H]([NH3+])CCC(=O)N(CC[N@H+](C)Cc1ccccc1)Cc1ccccc1 ZINC000434689658 500880125 /nfs/dbraw/zinc/88/01/25/500880125.db2.gz XFJVYXOMXVHGLQ-LJQANCHMSA-N 2 0 353.510 3.275 20 0 FGADRP C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000434782001 500893912 /nfs/dbraw/zinc/89/39/12/500893912.db2.gz HKEYJDSHSNYJRA-AHRSYUTCSA-N 2 0 357.542 3.298 20 0 FGADRP CC[NH+](CC)CC1CC[NH+](C[C@@H](C)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC000449011809 500895344 /nfs/dbraw/zinc/89/53/44/500895344.db2.gz VAGNTHAQTJOZNC-QGZVFWFLSA-N 2 0 366.571 3.247 20 0 FGADRP C[C@@H](C[NH2+]CCC[N@H+](C)Cc1ccccc1)c1ccc(S(C)(=O)=O)cc1 ZINC000449068507 500916489 /nfs/dbraw/zinc/91/64/89/500916489.db2.gz STDYNCCOCYPACC-SFHVURJKSA-N 2 0 374.550 3.305 20 0 FGADRP CC(C)[C@@H](CNC(=O)NCC1CC[NH+](C2CC2)CC1)[NH+]1CCCCCC1 ZINC000444886793 500917712 /nfs/dbraw/zinc/91/77/12/500917712.db2.gz QJTHGXXFYVSKDG-HXUWFJFHSA-N 2 0 364.578 3.061 20 0 FGADRP CC(C)COc1ccccc1C[NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000449081341 500919495 /nfs/dbraw/zinc/91/94/95/500919495.db2.gz DNCXKXQOCOPDDW-UHFFFAOYSA-N 2 0 368.525 3.158 20 0 FGADRP C[C@@H](C[NH2+]CCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000449080919 500919634 /nfs/dbraw/zinc/91/96/34/500919634.db2.gz AHCRFIXMHROQHN-KSZLIROESA-N 2 0 366.571 3.151 20 0 FGADRP C[C@@H](Cc1coc2ccccc12)[NH2+]Cc1cccnc1N1CC[NH+](C)CC1 ZINC000449104415 500926119 /nfs/dbraw/zinc/92/61/19/500926119.db2.gz FMXCMQIWBBPJJK-KRWDZBQOSA-N 2 0 364.493 3.300 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)N(C)[C@H]1CCC[NH+](C)C1 ZINC000607686992 506224644 /nfs/dbraw/zinc/22/46/44/506224644.db2.gz PPZPKNTXTLLKAF-MOPGFXCFSA-N 2 0 373.541 3.106 20 0 FGADRP COCC[N@@H+]1CCC[C@@H]1CNC1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449114697 500928219 /nfs/dbraw/zinc/92/82/19/500928219.db2.gz DQGLEKAJMMRREW-LJQANCHMSA-N 2 0 353.595 3.366 20 0 FGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]C2CCC(OC3CCCC3)CC2)CC1 ZINC000449129337 500931215 /nfs/dbraw/zinc/93/12/15/500931215.db2.gz BRHHXZUYBIEQCY-JSOIOWGOSA-N 2 0 351.579 3.120 20 0 FGADRP CC[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1)C1CCCC1 ZINC000449145483 500934343 /nfs/dbraw/zinc/93/43/43/500934343.db2.gz LKQHEMSJLBPTMY-NHCUHLMSSA-N 2 0 357.542 3.442 20 0 FGADRP C[NH+](C)CCCOc1ccc(CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)cc1 ZINC000439839153 500944569 /nfs/dbraw/zinc/94/45/69/500944569.db2.gz VBHSGIZKCSEPMP-NRFANRHFSA-N 2 0 373.541 3.040 20 0 FGADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]C[C@H](C)c2ccc(S(C)(=O)=O)cc2)C1 ZINC000449203610 500947083 /nfs/dbraw/zinc/94/70/83/500947083.db2.gz HMENSNWPWXEHGO-ZWKOTPCHSA-N 2 0 366.571 3.151 20 0 FGADRP C[C@H](CC[NH2+]C[C@@H](C)c1ccc(S(C)(=O)=O)cc1)[NH+]1CCCCC1 ZINC000449239141 500955278 /nfs/dbraw/zinc/95/52/78/500955278.db2.gz IEPAQJXQEBKCDU-IAGOWNOFSA-N 2 0 352.544 3.048 20 0 FGADRP COc1ccc(C(=O)Nc2cccc(C[N@@H+]3CC[C@H]([C@@H](C)[NH3+])C3)c2)cc1 ZINC000435370231 500961173 /nfs/dbraw/zinc/96/11/73/500961173.db2.gz IBIYOHVLUZOXSH-QAPCUYQASA-N 2 0 353.466 3.117 20 0 FGADRP O=C(NC[C@H]1CCC[N@H+](Cc2ccc(-c3ccccc3)o2)C1)[C@@H]1CCC[NH2+]1 ZINC000435375364 500962580 /nfs/dbraw/zinc/96/25/80/500962580.db2.gz UPDDRQXGOURUPM-XLIONFOSSA-N 2 0 367.493 3.027 20 0 FGADRP COc1ccc(Cn2nc(C)c(C[N@@H+]3C[C@@H]4CCC[C@@H]([NH3+])[C@@H]4C3)c2C)cc1 ZINC000435385440 500965302 /nfs/dbraw/zinc/96/53/02/500965302.db2.gz QBZKQTJJEGJGDR-VLCRHTCISA-N 2 0 368.525 3.116 20 0 FGADRP Cn1ccnc1CN(Cc1cc(Cl)ccc1F)[C@H]1CC12CC[NH2+]CC2 ZINC000435426242 500972446 /nfs/dbraw/zinc/97/24/46/500972446.db2.gz HEJVDEFMOIECHT-KRWDZBQOSA-N 2 0 362.880 3.357 20 0 FGADRP COc1ccc([C@H](C)C[N@H+](Cc2nccn2C)[C@H]2CC23CC[NH2+]CC3)cc1 ZINC000435432066 500974818 /nfs/dbraw/zinc/97/48/18/500974818.db2.gz LJUTZNVMFRIMJH-XLIONFOSSA-N 2 0 368.525 3.177 20 0 FGADRP Cc1cccc(C[NH+]2CCC(OCCN3C[C@@H](C)O[C@H](C)C3)CC2)c1F ZINC000449325637 500978033 /nfs/dbraw/zinc/97/80/33/500978033.db2.gz OHEZDGQRGWTHQP-QZTJIDSGSA-N 2 0 364.505 3.224 20 0 FGADRP CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)N(C)CC[C@@H]1CCCC[NH+]1C ZINC000440171719 500983792 /nfs/dbraw/zinc/98/37/92/500983792.db2.gz BJIBQKZUIBXWJW-RBUKOAKNSA-N 2 0 352.567 3.013 20 0 FGADRP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]C3CCC(CS(C)(=O)=O)CC3)CC2)C1 ZINC000449371182 500989231 /nfs/dbraw/zinc/98/92/31/500989231.db2.gz RFHJONUCHPSMJQ-CKVGWXAMSA-N 2 0 370.603 3.223 20 0 FGADRP CN(c1ccccc1C[NH2+][C@@H]([C@@H](CO)C1CC1)C1CC1)C1CC[NH+](C)CC1 ZINC000449507159 501020292 /nfs/dbraw/zinc/02/02/92/501020292.db2.gz LSZGDNQVHBVFQK-JTHBVZDNSA-N 2 0 371.569 3.104 20 0 FGADRP Cn1nccc1[C@@H]1C[C@H]([NH2+]CC(C)(C)C[N@H+](C)Cc2ccccc2)CCO1 ZINC000449581999 501037766 /nfs/dbraw/zinc/03/77/66/501037766.db2.gz DAYPHODWHFEADI-CTNGQTDRSA-N 2 0 370.541 3.388 20 0 FGADRP C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)NCC3([NH+](C)C)CCC3)cc2)C1 ZINC000445859036 501042626 /nfs/dbraw/zinc/04/26/26/501042626.db2.gz HQVWXXWEXZTGBK-GOSISDBHSA-N 2 0 372.557 3.202 20 0 FGADRP CC[NH+](CC)CCN(Cc1ccccc1)C(=O)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000441382158 501130431 /nfs/dbraw/zinc/13/04/31/501130431.db2.gz NKEROCDJCOCAJY-AZUAARDMSA-N 2 0 372.557 3.165 20 0 FGADRP O=C(CC[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1)NCc1ccccc1Cl ZINC000441449870 501141329 /nfs/dbraw/zinc/14/13/29/501141329.db2.gz RMOPWVHNLPDELE-KRWDZBQOSA-N 2 0 363.933 3.154 20 0 FGADRP Cc1ccc([C@H]([NH2+]CCCC[NH+]2CCN(CCO)CC2)C2CCCC2)cc1 ZINC000446822952 501169025 /nfs/dbraw/zinc/16/90/25/501169025.db2.gz ZVDPASCREWXZOE-HSZRJFAPSA-N 2 0 373.585 3.206 20 0 FGADRP Cn1ccnc1CN1C[C@@H](F)C[C@H]1C[N@H+](C)CCc1ccc(Cl)cc1 ZINC000450805607 501211847 /nfs/dbraw/zinc/21/18/47/501211847.db2.gz DPDJBPXXWRNAPL-ROUUACIJSA-N 2 0 364.896 3.160 20 0 FGADRP C[NH+](Cc1cc(C[N@@H+](C)[C@@H]2CCCOC2)ccc1F)[C@H]1CCCOC1 ZINC000450978431 501236573 /nfs/dbraw/zinc/23/65/73/501236573.db2.gz MCXFUSWGILIYGW-MOPGFXCFSA-N 2 0 350.478 3.047 20 0 FGADRP CC(=O)NC1CCC([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)CC1 ZINC000453102647 501269696 /nfs/dbraw/zinc/26/96/96/501269696.db2.gz YGHNIJOYGVXTMB-FDTLVRFQSA-N 2 0 369.553 3.467 20 0 FGADRP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(C[NH2+][C@H](C3CC3)C3CCC3)c2)C1 ZINC000453109352 501271101 /nfs/dbraw/zinc/27/11/01/501271101.db2.gz MHVYLSILEQZIHO-RTWAWAEBSA-N 2 0 355.526 3.052 20 0 FGADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000453126755 501274743 /nfs/dbraw/zinc/27/47/43/501274743.db2.gz KTQMVNCRTFDGET-SSGKUCQKSA-N 3 0 373.585 3.376 20 0 FGADRP C[C@H]([NH2+]CCc1ccc(OCC[NH+]2C[C@@H](C)[C@H](C)C2)cc1)c1ccncn1 ZINC000453161155 501282137 /nfs/dbraw/zinc/28/21/37/501282137.db2.gz ISASRDKXRZTTDF-QRVBRYPASA-N 2 0 368.525 3.337 20 0 FGADRP C[NH+](C)[C@H]1CCOc2c(NC(=O)C3C[NH+](C4CCCCC4)C3)cccc21 ZINC000457764898 501304251 /nfs/dbraw/zinc/30/42/51/501304251.db2.gz MJNFIPFDYUULGI-IBGZPJMESA-N 2 0 357.498 3.275 20 0 FGADRP CN1CCO[C@H]([C@H]([NH2+]CCCC[N@H+](C)C2CC2)c2ccc(Cl)cc2)C1 ZINC000453420158 501327976 /nfs/dbraw/zinc/32/79/76/501327976.db2.gz ZJSCITQISRNFCX-VQTJNVASSA-N 2 0 365.949 3.176 20 0 FGADRP CO[C@@H]1CC[N@H+](Cc2ccccc2C[NH+]2CC[C@H](OC)[C@@H](C)C2)C[C@H]1C ZINC000451578753 501329461 /nfs/dbraw/zinc/32/94/61/501329461.db2.gz XMFRYLPFQOCPOO-VVIORFSUSA-N 2 0 360.542 3.400 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+]C[C@H](O)COc1ccc(Cl)cc1 ZINC000582481199 506246666 /nfs/dbraw/zinc/24/66/66/506246666.db2.gz IHVNILFLKWBFFZ-AEFFLSMTSA-N 2 0 354.922 3.324 20 0 FGADRP C[N@H+](CCCCNC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1)C1CC1 ZINC000455613516 501347642 /nfs/dbraw/zinc/34/76/42/501347642.db2.gz NHUROVRVHLQNEM-UHFFFAOYSA-N 2 0 372.557 3.346 20 0 FGADRP Cc1ccc([C@@H](CNC(=O)N(C)[C@@H]2CC[N@@H+](C(C)C)C2)[NH+]2CCCC2)cc1 ZINC000458134067 501377490 /nfs/dbraw/zinc/37/74/90/501377490.db2.gz HSSYSTILSKRQMI-NHCUHLMSSA-N 2 0 372.557 3.256 20 0 FGADRP CC1CC[NH+](CCCNC(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)CC1 ZINC000455854894 501400872 /nfs/dbraw/zinc/40/08/72/501400872.db2.gz GQUCDHFUAIDIPV-FQEVSTJZSA-N 2 0 358.530 3.479 20 0 FGADRP CSc1ccc([C@@H](CNC(=O)CC[C@@H]2CCCC[N@@H+]2C)[NH+](C)C)cc1 ZINC000452160166 501448336 /nfs/dbraw/zinc/44/83/36/501448336.db2.gz BWYPDTBKHUIVTR-PKOBYXMFSA-N 2 0 363.571 3.392 20 0 FGADRP C[C@H](CCNC(=O)N1CC[N@@H+](C2CC2)C[C@H](C)C1)[NH+](C)Cc1ccccc1 ZINC000458511114 501462586 /nfs/dbraw/zinc/46/25/86/501462586.db2.gz POSJCZLIPHGLAD-RBUKOAKNSA-N 2 0 372.557 3.023 20 0 FGADRP CCOC(=O)c1[nH]c(C)c(C[NH2+]CC2CCN(c3cc[nH+]cc3)CC2)c1C ZINC000598972783 506255021 /nfs/dbraw/zinc/25/50/21/506255021.db2.gz DWERJNNKFUONRN-UHFFFAOYSA-N 2 0 370.497 3.209 20 0 FGADRP C[C@H](NC(=O)NCCCCC[NH+]1CCCC1)[C@H](c1ccccc1)[NH+](C)C ZINC000458759378 501524509 /nfs/dbraw/zinc/52/45/09/501524509.db2.gz GGPGKKLGOFKNSQ-AZUAARDMSA-N 2 0 360.546 3.243 20 0 FGADRP Cc1ccccc1[C@H]([C@@H](C)NC(=O)N(C)[C@@H]1CC[N@@H+](C(C)C)C1)[NH+](C)C ZINC000458788392 501531897 /nfs/dbraw/zinc/53/18/97/501531897.db2.gz YCBHJNPITLCBCS-GGPKGHCWSA-N 2 0 360.546 3.110 20 0 FGADRP CCc1ccc([C@@H](CNC(=O)N2CC[C@H](C[NH+](C)C)C2)[NH+](CC)CC)cc1 ZINC000458792083 501532570 /nfs/dbraw/zinc/53/25/70/501532570.db2.gz LCNZSEIZVNQPCF-TZIWHRDSSA-N 2 0 374.573 3.225 20 0 FGADRP CCc1ccc([C@H](CNC(=O)N(C)C[C@@H]2CC[N@H+](C)C2)[NH+](CC)CC)cc1 ZINC000458793581 501532720 /nfs/dbraw/zinc/53/27/20/501532720.db2.gz NNMHKNFPPWXSDI-CTNGQTDRSA-N 2 0 374.573 3.225 20 0 FGADRP CN(C(=O)NCCCCC[NH+]1CCCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000458860461 501547181 /nfs/dbraw/zinc/54/71/81/501547181.db2.gz VRMYRYJEEOJVSG-OAQYLSRUSA-N 2 0 372.557 3.168 20 0 FGADRP C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)NCC1([NH+](C)Cc2ccccc2)CCC1 ZINC000458981241 501570446 /nfs/dbraw/zinc/57/04/46/501570446.db2.gz TVOYEKFNXKUXSO-ICSRJNTNSA-N 2 0 372.557 3.023 20 0 FGADRP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](Cc2ccc(C3CC3)cc2)CC1 ZINC000459327059 501631380 /nfs/dbraw/zinc/63/13/80/501631380.db2.gz NOJFASJLECVEKH-UHFFFAOYSA-N 2 0 371.569 3.480 20 0 FGADRP CCO[C@@H]1C[C@@H]([NH2+]CCCC[NH+]2CCOCC2)[C@H]1Sc1ccccc1 ZINC000459378909 501642878 /nfs/dbraw/zinc/64/28/78/501642878.db2.gz RTFZVROHINBTTO-VAMGGRTRSA-N 2 0 364.555 3.027 20 0 FGADRP CCO[C@@H]1C[C@H]([NH2+]CCCC[NH+]2CCOCC2)[C@H]1Sc1ccccc1 ZINC000459378912 501642915 /nfs/dbraw/zinc/64/29/15/501642915.db2.gz RTFZVROHINBTTO-XUVXKRRUSA-N 2 0 364.555 3.027 20 0 FGADRP c1ccc(C2(C[NH2+]C3CCN(c4cc[nH+]cc4)CC3)CCOCC2)cc1 ZINC000459381153 501643292 /nfs/dbraw/zinc/64/32/92/501643292.db2.gz ULFNYSBFDGYZKM-UHFFFAOYSA-N 2 0 351.494 3.388 20 0 FGADRP CCO[C@@H]1C[C@@H]([NH2+]C2CCN(c3cc[nH+]cc3)CC2)[C@H]1Oc1ccccc1 ZINC000459497261 501664099 /nfs/dbraw/zinc/66/40/99/501664099.db2.gz IYHZIJDXKHYKSM-YPAWHYETSA-N 2 0 367.493 3.265 20 0 FGADRP C[C@@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)C(=O)N1c2ccccc2C[C@H]1C ZINC000459566615 501677901 /nfs/dbraw/zinc/67/79/01/501677901.db2.gz HOLRQDHNZHRLRA-IAGOWNOFSA-N 2 0 364.493 3.006 20 0 FGADRP COc1ccc(C[NH2+]CC[C@H]2CCC[N@H+](C)C2)cc1OCc1cccnc1 ZINC000459736672 501706164 /nfs/dbraw/zinc/70/61/64/501706164.db2.gz QJVGJTYKFGZDEO-GOSISDBHSA-N 2 0 369.509 3.491 20 0 FGADRP C[N@@H+]1CCCC[C@H](C[NH2+]Cc2cccc(I)c2)C1 ZINC000598994262 506268830 /nfs/dbraw/zinc/26/88/30/506268830.db2.gz HPIRWXGBKWDKGL-CQSZACIVSA-N 2 0 358.267 3.113 20 0 FGADRP COc1ccc([C@H](CO)C[NH2+][C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000459764053 501710619 /nfs/dbraw/zinc/71/06/19/501710619.db2.gz WNIQZMUJYBRLEN-QIJUGHKUSA-N 2 0 368.521 3.271 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000477615097 501738182 /nfs/dbraw/zinc/73/81/82/501738182.db2.gz ZKRDHJNCSDGWRP-LJQANCHMSA-N 2 0 364.578 3.158 20 0 FGADRP Cc1ccc(NC(=O)C2(C[NH+](C)C)CCCCC2)c(OCC[NH+](C)C)c1 ZINC000460191545 501755748 /nfs/dbraw/zinc/75/57/48/501755748.db2.gz IIYURZWSGGMFTN-UHFFFAOYSA-N 2 0 361.530 3.386 20 0 FGADRP CCC(=O)N1CC[C@H]([NH2+][C@@H]2CCCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000485234106 501764755 /nfs/dbraw/zinc/76/47/55/501764755.db2.gz IYRPTQFRKJJTLF-MYGLTJDJSA-N 2 0 369.553 3.278 20 0 FGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCCc2nc3ccccc3[nH]2)[C@@H](C)C1 ZINC000481424120 501771950 /nfs/dbraw/zinc/77/19/50/501771950.db2.gz OEVFUIYVFMSOJF-ZWKOTPCHSA-N 2 0 358.530 3.222 20 0 FGADRP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(I)c(C)c2)[C@@H](C)C1 ZINC000467373662 501780064 /nfs/dbraw/zinc/78/00/64/501780064.db2.gz OOSIDGJZQXEOPN-XJKSGUPXSA-N 2 0 372.294 3.420 20 0 FGADRP C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+]CCCC[N@@H+]1CCC[C@H]1CO ZINC000467378236 501781678 /nfs/dbraw/zinc/78/16/78/501781678.db2.gz UJGXDGOBWAZJLG-QAPCUYQASA-N 2 0 358.448 3.463 20 0 FGADRP Cc1cc(C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)ccc1I ZINC000467388543 501784055 /nfs/dbraw/zinc/78/40/55/501784055.db2.gz LWVXYWJAVGJSNH-OCCSQVGLSA-N 2 0 358.267 3.172 20 0 FGADRP COC(=O)c1csc(-c2cccc(C[NH2+][C@@H]3C[C@@H](C)[N@H+](C)C[C@@H]3C)c2)n1 ZINC000477856317 501810209 /nfs/dbraw/zinc/81/02/09/501810209.db2.gz QBZUUCMSNFPNRN-JJRVBVJISA-N 2 0 373.522 3.415 20 0 FGADRP C[C@H](C(=O)NC1CCCC1)[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000485493224 501837032 /nfs/dbraw/zinc/83/70/32/501837032.db2.gz SEUPCXUDUCSRBO-LJQANCHMSA-N 2 0 369.553 3.422 20 0 FGADRP C[C@@H]1C[C@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C[N@@H+]1Cc1ccccc1 ZINC000467700771 501848581 /nfs/dbraw/zinc/84/85/81/501848581.db2.gz NRGREKKMLXDYJP-GIVPXCGWSA-N 2 0 369.553 3.420 20 0 FGADRP CC[NH+](CC)[C@H]1CCN(C(=O)NC[C@H](C2CC2)[N@H+](C)Cc2ccccc2)C1 ZINC000478015645 501853768 /nfs/dbraw/zinc/85/37/68/501853768.db2.gz KGYGWGUVVRHUBU-LEWJYISDSA-N 2 0 372.557 3.023 20 0 FGADRP COC(=O)C1CC[NH+](CCCNc2cc(C)nc3c(F)cccc23)CC1 ZINC000481700502 501854029 /nfs/dbraw/zinc/85/40/29/501854029.db2.gz XUGRERQCAUYFQK-UHFFFAOYSA-N 2 0 359.445 3.369 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H]2CCc3cnn(C(C)C)c3C2)[C@H](C)C1 ZINC000478148414 501893545 /nfs/dbraw/zinc/89/35/45/501893545.db2.gz YPXNLFJMOPRJCP-HOJAQTOUSA-N 2 0 362.562 3.048 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C/C=C\c1ccc(F)cc1 ZINC000474629627 501900335 /nfs/dbraw/zinc/90/03/35/501900335.db2.gz NBOIHDDYNPQOMT-BPJPHKDRSA-N 2 0 361.505 3.104 20 0 FGADRP C[C@@H]([NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1)c1cc(F)ccc1F ZINC000482106859 501977956 /nfs/dbraw/zinc/97/79/56/501977956.db2.gz CRDQLCHLEJGDIB-MRXNPFEDSA-N 2 0 360.452 3.223 20 0 FGADRP CCCN(C(=O)[C@@H]1C[NH+](C)C[C@@H]1C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000486027834 502023640 /nfs/dbraw/zinc/02/36/40/502023640.db2.gz KVWMDCVJWASXMJ-SESVDKBCSA-N 2 0 357.542 3.087 20 0 FGADRP C[C@@H]1C[NH+](CCC2CC[NH+](C[C@H](O)C3CCCCC3)CC2)C[C@@H](C)O1 ZINC000475031660 502027107 /nfs/dbraw/zinc/02/71/07/502027107.db2.gz KFBSVGOLVLSORR-OPYAIIAOSA-N 2 0 352.563 3.139 20 0 FGADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)N(C)[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000475093620 502054825 /nfs/dbraw/zinc/05/48/25/502054825.db2.gz HAKRZJBRYPTNDV-RTWAWAEBSA-N 2 0 372.557 3.023 20 0 FGADRP CCCC[NH+]1CCC(NC(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000475097821 502057217 /nfs/dbraw/zinc/05/72/17/502057217.db2.gz QYHPKFPBBMUYHE-OAQYLSRUSA-N 2 0 372.557 3.167 20 0 FGADRP CC(C)c1nc2c([nH]1)C[C@@H](C(=O)NC[C@@]1([NH+](C)C)CCC[C@@H](C)C1)CC2 ZINC000475107762 502062828 /nfs/dbraw/zinc/06/28/28/502062828.db2.gz GVDAQRWDBZTFIH-VWKPWSFCSA-N 2 0 360.546 3.265 20 0 FGADRP CCc1ccc([C@@H](C)[NH2+]CCCC[NH+]2CCN(c3ncccn3)CC2)s1 ZINC000482436588 502067652 /nfs/dbraw/zinc/06/76/52/502067652.db2.gz BZVIXAGSRCJMEO-QGZVFWFLSA-N 2 0 373.570 3.354 20 0 FGADRP C[NH+](C)[C@H](CNC(=O)c1ccc(Nc2cc[nH+]cc2)cc1)C1CCCCC1 ZINC000468469033 502067984 /nfs/dbraw/zinc/06/79/84/502067984.db2.gz UFWGBOVVDCCHDR-OAQYLSRUSA-N 2 0 366.509 3.487 20 0 FGADRP CC(C)[C@@H]1CCCC[C@H]1[NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000482451706 502071782 /nfs/dbraw/zinc/07/17/82/502071782.db2.gz LGQFKRVAVZASKE-VQTJNVASSA-N 2 0 359.562 3.183 20 0 FGADRP C[C@@H]([NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1)c1ccccc1Cl ZINC000482453499 502072575 /nfs/dbraw/zinc/07/25/75/502072575.db2.gz XGKLHNBKPDATKN-QGZVFWFLSA-N 2 0 373.932 3.383 20 0 FGADRP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH2+][C@@H]2CCCC[C@@H]2C)CC1 ZINC000475151852 502082589 /nfs/dbraw/zinc/08/25/89/502082589.db2.gz SGCZSMAMLYMHPR-PZJWPPBQSA-N 2 0 357.542 3.198 20 0 FGADRP CCC[N@@H+]1CCC[C@H]1CNC(=O)NCc1ccccc1C[NH+](C)C(C)C ZINC000478841929 502102086 /nfs/dbraw/zinc/10/20/86/502102086.db2.gz RYYSGKVIBNENOY-FQEVSTJZSA-N 2 0 360.546 3.200 20 0 FGADRP COC[C@@H]([NH2+]CCCN1CCC[N@H+](C)CC1)c1cccc(C(F)(F)F)c1 ZINC000482569494 502112907 /nfs/dbraw/zinc/11/29/07/502112907.db2.gz VWXUGQGUWBAJIP-GOSISDBHSA-N 2 0 373.463 3.010 20 0 FGADRP CC(C)[NH+]1CCC(C(=O)N2CCCC[C@H]2[C@@H](C[NH3+])Cc2ccccc2)CC1 ZINC000471790018 502138068 /nfs/dbraw/zinc/13/80/68/502138068.db2.gz UETJLYHKUNRWBD-YADHBBJMSA-N 2 0 371.569 3.306 20 0 FGADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]CC1(N2CCOC(C)(C)C2)CCCCC1 ZINC000482725272 502162785 /nfs/dbraw/zinc/16/27/85/502162785.db2.gz VGLYHMYRHLMZEU-QYZOEREBSA-N 2 0 351.579 3.118 20 0 FGADRP [NH3+]C[C@@H](C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1)c1ccc(F)cc1 ZINC000479182677 502185615 /nfs/dbraw/zinc/18/56/15/502185615.db2.gz HFNORDDHTUFGBL-OAQYLSRUSA-N 2 0 369.484 3.170 20 0 FGADRP C[NH+]1CCN(c2ncccc2C[NH2+][C@@H]2CCc3ccc(Cl)cc32)CC1 ZINC000479190391 502188272 /nfs/dbraw/zinc/18/82/72/502188272.db2.gz IPTGHGUDRWREQT-LJQANCHMSA-N 2 0 356.901 3.264 20 0 FGADRP Cc1ccc2[nH]c(C[NH2+]Cc3ccnc(OCC[NH+](C)C)c3)cc2c1C ZINC000472053507 502212779 /nfs/dbraw/zinc/21/27/79/502212779.db2.gz NWEGFXVURVDRGO-UHFFFAOYSA-N 2 0 352.482 3.410 20 0 FGADRP CCc1ccc([C@H](CNC(=O)NC[C@@H]2CC[N@H+](CC(C)C)C2)[NH+](C)C)cc1 ZINC000465221495 502219220 /nfs/dbraw/zinc/21/92/20/502219220.db2.gz PWRDVOYMIUGVBC-FPOVZHCZSA-N 2 0 374.573 3.129 20 0 FGADRP C[NH+]1CCN(CCC[NH2+][C@@H]2CCCc3cc(Br)ccc32)CC1 ZINC000479354033 502232734 /nfs/dbraw/zinc/23/27/34/502232734.db2.gz ZYMUHZFDXOUUGF-GOSISDBHSA-N 2 0 366.347 3.054 20 0 FGADRP CCN(CCC[NH+]1CCCC1)C(=O)NC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000472117546 502238744 /nfs/dbraw/zinc/23/87/44/502238744.db2.gz JWUOJAAEOCUXLQ-IBGZPJMESA-N 2 0 360.546 3.024 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)NCCC1CC[NH+](CC)CC1)c1ccccc1 ZINC000465423494 502256301 /nfs/dbraw/zinc/25/63/01/502256301.db2.gz RHCHYOGQJVXVND-OAQYLSRUSA-N 2 0 374.573 3.491 20 0 FGADRP CC[NH+](CC)CC1CC[NH+](CCC(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000486801142 502267165 /nfs/dbraw/zinc/26/71/65/502267165.db2.gz LQAOOCPKNXOGGB-UHFFFAOYSA-N 2 0 360.498 3.084 20 0 FGADRP CCCCNC(=O)CC[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000475730877 502268187 /nfs/dbraw/zinc/26/81/87/502268187.db2.gz SNVQTGIRMWRQCV-JOCHJYFZSA-N 2 0 357.542 3.281 20 0 FGADRP CCCC[N@H+](C)C[C@@H](C)NC(=O)N1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000462015523 502275830 /nfs/dbraw/zinc/27/58/30/502275830.db2.gz QABUDIRPPLPJRE-HSALFYBXSA-N 2 0 366.594 3.403 20 0 FGADRP C[N@H+](CCCNC(=O)N[C@H]1CC[NH+](CC2CCCC2)C1)C1CCCCC1 ZINC000465517913 502284820 /nfs/dbraw/zinc/28/48/20/502284820.db2.gz CLVMMBQCZFFKGS-IBGZPJMESA-N 2 0 364.578 3.205 20 0 FGADRP CC(C)[C@@H](CNC(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C)[NH+]1CCC(C)CC1 ZINC000465530140 502290942 /nfs/dbraw/zinc/29/09/42/502290942.db2.gz NBOOMRGRESOYFQ-VQTJNVASSA-N 2 0 366.594 3.259 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CNC(=O)NCc1ccc(C[NH+]2CCC[C@H](C)C2)cc1 ZINC000465545169 502300642 /nfs/dbraw/zinc/30/06/42/502300642.db2.gz BMIPOEZOIPBTCY-RXVVDRJESA-N 2 0 372.557 3.202 20 0 FGADRP CC[C@@H](CCc1ccc(Br)cc1)[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000462123817 502314990 /nfs/dbraw/zinc/31/49/90/502314990.db2.gz RWKDGPZRXFNEEW-KRWDZBQOSA-N 2 0 369.347 3.207 20 0 FGADRP CCCN(CC[NH+](CC)CC)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000462140186 502321473 /nfs/dbraw/zinc/32/14/73/502321473.db2.gz LNAJUYRURKZBEP-HXUWFJFHSA-N 2 0 360.546 3.024 20 0 FGADRP O=C1Nc2cc(Cl)ccc2[C@@H]1C1CC[NH+](CCC2CC[NH2+]CC2)CC1 ZINC000479679695 502342087 /nfs/dbraw/zinc/34/20/87/502342087.db2.gz ZANOFLNNNHLKDI-IBGZPJMESA-N 2 0 361.917 3.477 20 0 FGADRP Cc1ccc(NC(=O)NC[C@@H]2CCC[N@H+](CCC3CC[NH2+]CC3)C2)cc1 ZINC000479698183 502348992 /nfs/dbraw/zinc/34/89/92/502348992.db2.gz CFAVDGLOQHMYPU-IBGZPJMESA-N 2 0 358.530 3.218 20 0 FGADRP CC[NH+](CC)C[C@@H](C)NC(=O)N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000465773199 502379784 /nfs/dbraw/zinc/37/97/84/502379784.db2.gz YTSKRIUWWONLNO-RTBURBONSA-N 2 0 360.546 3.023 20 0 FGADRP CC[NH+](CC)C[C@H](C)NC(=O)N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000465773197 502379795 /nfs/dbraw/zinc/37/97/95/502379795.db2.gz YTSKRIUWWONLNO-OALUTQOASA-N 2 0 360.546 3.023 20 0 FGADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000469367181 502389110 /nfs/dbraw/zinc/38/91/10/502389110.db2.gz KDEMDXBXZUGKJU-RTBURBONSA-N 2 0 357.542 3.230 20 0 FGADRP CC[C@@H](C(=O)N1CCC(C[N@H+](C)Cc2ccccc2)CC1)[NH+](CC)CC ZINC000469370573 502389741 /nfs/dbraw/zinc/38/97/41/502389741.db2.gz BNOHPJLKVCXXAK-NRFANRHFSA-N 2 0 359.558 3.477 20 0 FGADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)NC[C@H](c2ccco2)[NH+](CC)CC)C1 ZINC000465809769 502391647 /nfs/dbraw/zinc/39/16/47/502391647.db2.gz JTSMRUPBZRBSNS-ZWKOTPCHSA-N 2 0 364.534 3.036 20 0 FGADRP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)N(C)CC[C@H]1CCCC[NH+]1C ZINC000465864215 502407051 /nfs/dbraw/zinc/40/70/51/502407051.db2.gz CMAROHBQTMJSTI-MOPGFXCFSA-N 2 0 352.567 3.157 20 0 FGADRP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N[C@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000469434693 502415282 /nfs/dbraw/zinc/41/52/82/502415282.db2.gz SFBDUMWTKQPBQX-HBMCJLEFSA-N 2 0 372.557 3.069 20 0 FGADRP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N[C@H]1CC[NH+]2CCCC[C@@H]12 ZINC000469438428 502418709 /nfs/dbraw/zinc/41/87/09/502418709.db2.gz KLLJGCKAQUXSHU-ACRUOGEOSA-N 2 0 372.557 3.069 20 0 FGADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCCC2CC[NH+](CC)CC2)C1 ZINC000465895853 502419376 /nfs/dbraw/zinc/41/93/76/502419376.db2.gz VZQMWADYUGNQKU-GOSISDBHSA-N 2 0 366.594 3.308 20 0 FGADRP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N[C@H]1C[C@H](C)[NH+](C2CC2)C1 ZINC000469441305 502420057 /nfs/dbraw/zinc/42/00/57/502420057.db2.gz TUJFUAWBWZQXPD-CUWPLCDZSA-N 2 0 372.557 3.067 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CNC(=O)NCC1([NH2+][C@H](C)c2ccccc2)CCCC1 ZINC000465910797 502424493 /nfs/dbraw/zinc/42/44/93/502424493.db2.gz ONOLGRUPURGMMJ-QUCCMNQESA-N 2 0 372.557 3.434 20 0 FGADRP C[N@@H+]1CCCC[C@H]1CCC(=O)N1CCC([NH+]2CCc3ccccc3C2)CC1 ZINC000483704481 502468984 /nfs/dbraw/zinc/46/89/84/502468984.db2.gz DNLBNAXBQVNJFL-NRFANRHFSA-N 2 0 369.553 3.300 20 0 FGADRP CC[N@H+](C)Cc1cccc(CNC(=O)N(C)[C@H]2CC[NH+](CC)[C@@H](C)C2)c1 ZINC000483744855 502481529 /nfs/dbraw/zinc/48/15/29/502481529.db2.gz KPYUCHXNEAXQHG-PXNSSMCTSA-N 2 0 360.546 3.153 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NCC(C)(C)[NH+]2CCC[C@@H](C)C2)C[C@H]1C ZINC000483753182 502483623 /nfs/dbraw/zinc/48/36/23/502483623.db2.gz YOAQIMOWQNDKTJ-KURKYZTESA-N 2 0 352.567 3.011 20 0 FGADRP C[NH+]1CCC(CC(=O)N(CCn2ccnc2)Cc2cccc(Cl)c2)CC1 ZINC000487685189 502505012 /nfs/dbraw/zinc/50/50/12/502505012.db2.gz HJIKBFLGKAEKKD-UHFFFAOYSA-N 2 0 374.916 3.297 20 0 FGADRP CCn1nc(C[NH+]2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c2ccccc21 ZINC000473130780 502524229 /nfs/dbraw/zinc/52/42/29/502524229.db2.gz DJBWMNIKGKMSBC-HDICACEKSA-N 2 0 370.541 3.377 20 0 FGADRP CN(c1ccccc1C[NH2+]C[C@H](CO)CC1CCCC1)C1CC[NH+](C)CC1 ZINC000466417278 502565282 /nfs/dbraw/zinc/56/52/82/502565282.db2.gz OAYJQROLYBWXBA-HXUWFJFHSA-N 2 0 373.585 3.495 20 0 FGADRP Cc1nn(-c2ccc(Br)cc2)cc1C[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000469861928 502572017 /nfs/dbraw/zinc/57/20/17/502572017.db2.gz LTBJHQGPEPYVPH-TZMCWYRMSA-N 2 0 363.303 3.112 20 0 FGADRP CCCOc1c(Br)cc(CN2CC[C@H]([C@@H](C)[NH3+])C2)cc1OC ZINC000469867345 502575686 /nfs/dbraw/zinc/57/56/86/502575686.db2.gz VIPYXAJZNWYMTQ-OCCSQVGLSA-N 2 0 371.319 3.416 20 0 FGADRP C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)NCCCCC[NH+]1CCCCC1 ZINC000476735728 502575998 /nfs/dbraw/zinc/57/59/98/502575998.db2.gz IZMLOUDODLGIJZ-AQNXPRMDSA-N 2 0 366.594 3.308 20 0 FGADRP [NH3+][C@@H]1CC[C@H]2CN(Cc3ccc(OC(F)F)c(Br)c3)C[C@H]12 ZINC000469872120 502577739 /nfs/dbraw/zinc/57/77/39/502577739.db2.gz NWXXWPRNBUYBHX-GMXVVIOVSA-N 2 0 361.230 3.220 20 0 FGADRP CC(C)[C@@H](C(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)[NH+](C)C)[NH+](C)C ZINC000469883207 502582197 /nfs/dbraw/zinc/58/21/97/502582197.db2.gz HTWULNGKXLPJAX-HOTGVXAUSA-N 2 0 359.436 3.011 20 0 FGADRP C[C@H]([NH3+])[C@H]1CCN(C(=O)c2cccc(C[N@H+](C)Cc3ccccc3)c2)C1 ZINC000484145469 502583508 /nfs/dbraw/zinc/58/35/08/502583508.db2.gz SAJPSGZHDDKJTB-UWJYYQICSA-N 2 0 351.494 3.128 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC000462812468 502583977 /nfs/dbraw/zinc/58/39/77/502583977.db2.gz NYQZWCGAEGIASI-DUXKGJEZSA-N 2 0 355.526 3.030 20 0 FGADRP C[C@H]1C[C@@H](NC(=O)NCCC[NH2+]C2CCCCC2)C[N@@H+]1Cc1ccccc1 ZINC000466517908 502594878 /nfs/dbraw/zinc/59/48/78/502594878.db2.gz KUPPLPOYCVNPCD-GHTZIAJQSA-N 2 0 372.557 3.261 20 0 FGADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)[C@@H](c2ccccc2)N2CCOCC2)C1 ZINC000480584088 502610546 /nfs/dbraw/zinc/61/05/46/502610546.db2.gz PEAYUQUYJWZNDX-ONTIZHBOSA-N 2 0 359.558 3.158 20 0 FGADRP CC[C@H](C)[NH2+][C@H](CNC(=O)NCc1cccc(C[NH+](C)C)c1)c1ccco1 ZINC000480595935 502614345 /nfs/dbraw/zinc/61/43/45/502614345.db2.gz PJVAWCBRZDVZFC-QFBILLFUSA-N 2 0 372.513 3.270 20 0 FGADRP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)c1oc2ccccc2c1C[NH+](C)C ZINC000582608562 506324441 /nfs/dbraw/zinc/32/44/41/506324441.db2.gz CYHOWNXRRKDIEX-HNNXBMFYSA-N 2 0 357.498 3.297 20 0 FGADRP C[C@@H]1C[C@@H](C)C[NH+](CCCC[NH2+]C2CCN(Cc3ccccn3)CC2)C1 ZINC000480601505 502616950 /nfs/dbraw/zinc/61/69/50/502616950.db2.gz AOCPGVYUMIGMPN-WOJBJXKFSA-N 2 0 358.574 3.394 20 0 FGADRP Cc1ccc(CNC(=O)c2cccc(CN[C@@H]3CC[N@@H+](C)C[C@H]3C)c2)cc1 ZINC000480615492 502621833 /nfs/dbraw/zinc/62/18/33/502621833.db2.gz WGGAQMBAVFDFFN-XMSQKQJNSA-N 2 0 365.521 3.355 20 0 FGADRP COCC[N@H+](C)CCC[NH2+][C@@H]1CCCC[C@H]1c1ccc(OC)c(F)c1 ZINC000480771663 502666081 /nfs/dbraw/zinc/66/60/81/502666081.db2.gz OQPLXZHOUVFAQI-PKOBYXMFSA-N 2 0 352.494 3.418 20 0 FGADRP C[C@@H]1CCC[C@](CNC(=O)NCc2ccc(CC[NH+](C)C)cc2)([NH+](C)C)C1 ZINC000466797748 502682522 /nfs/dbraw/zinc/68/25/22/502682522.db2.gz WCSQUEZZYMKWJI-GCJKJVERSA-N 2 0 374.573 3.100 20 0 FGADRP CCN1CC[NH+](CCCC[NH2+][C@H]2CCN(Cc3ccccc3)[C@H](C)C2)CC1 ZINC000463137904 502704401 /nfs/dbraw/zinc/70/44/01/502704401.db2.gz AKZUSAAZSZVXJN-GGAORHGYSA-N 2 0 372.601 3.047 20 0 FGADRP Cc1nc(COc2ccc(C[NH2+]CC(C)(C)C[NH+]3CCCC3)cc2)no1 ZINC000480929574 502707272 /nfs/dbraw/zinc/70/72/72/502707272.db2.gz BYRLVVPHVJIMQT-UHFFFAOYSA-N 2 0 358.486 3.169 20 0 FGADRP C[C@@H](c1cc2ccccc2o1)N(C)C(=O)C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000480934842 502708893 /nfs/dbraw/zinc/70/88/93/502708893.db2.gz BZQRYKPHBZDBPQ-INIZCTEOSA-N 2 0 357.498 3.226 20 0 FGADRP C[NH+]1CCN(Cc2ccc(C[NH2+][C@H]3CS[C@@H](C(C)(C)C)C3)cc2)CC1 ZINC000488420495 502711140 /nfs/dbraw/zinc/71/11/40/502711140.db2.gz WIJNITZAIGQTRB-WOJBJXKFSA-N 2 0 361.599 3.444 20 0 FGADRP CCOc1ccccc1OCC[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000466932023 502732151 /nfs/dbraw/zinc/73/21/51/502732151.db2.gz DNGGPBHUGIYZJM-UHFFFAOYSA-N 2 0 362.514 3.041 20 0 FGADRP CC[NH+](CC)CC1CCN(C(=O)NC[C@@H](C)[N@H+](C)Cc2ccccc2)CC1 ZINC000477397680 502764021 /nfs/dbraw/zinc/76/40/21/502764021.db2.gz XUELHJHPYCZBDW-LJQANCHMSA-N 2 0 374.573 3.270 20 0 FGADRP CC[C@H](C(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1)[NH+](CC)CC ZINC000484938889 502782646 /nfs/dbraw/zinc/78/26/46/502782646.db2.gz MIZGURGIWKVIAX-NJDAHSKKSA-N 2 0 357.542 3.087 20 0 FGADRP Cc1ccc(C)c(NC(=O)Cc2nc(CN3CC[C@@H]([C@H](C)[NH3+])C3)cs2)c1 ZINC000484947716 502784554 /nfs/dbraw/zinc/78/45/54/502784554.db2.gz QKRJSXMPZSBPCS-JKSUJKDBSA-N 2 0 372.538 3.110 20 0 FGADRP C[NH+](C)[C@@H](CNC(=O)C[NH2+][C@@H]1CCCCC12CCCC2)c1ccccc1 ZINC000463444986 502807628 /nfs/dbraw/zinc/80/76/28/502807628.db2.gz OWHXBEWJMSQRGH-VQTJNVASSA-N 2 0 357.542 3.498 20 0 FGADRP CC[NH+](CC)CC1CC[NH+](Cc2ccc(Cl)cc2-n2cncn2)CC1 ZINC000474151879 502815592 /nfs/dbraw/zinc/81/55/92/502815592.db2.gz SMFMQQUJHALBLY-UHFFFAOYSA-N 2 0 361.921 3.475 20 0 FGADRP COc1cccc([C@@H]2[C@H](N[C@@H]3CC[NH+]4CCC[C@@H]4C3)CC[N@@H+]2C2CC2)c1 ZINC000495407430 502835213 /nfs/dbraw/zinc/83/52/13/502835213.db2.gz IPSOXCJFLKZCQP-JHMKDJTOSA-N 2 0 355.526 3.189 20 0 FGADRP C[NH+](C)CCCC1CCN(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000500817378 502870322 /nfs/dbraw/zinc/87/03/22/502870322.db2.gz KSYOSYSOFRBRGS-OAQYLSRUSA-N 2 0 372.557 3.024 20 0 FGADRP CCN(C(=O)C[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1)C1CCCCC1 ZINC000501068830 502927329 /nfs/dbraw/zinc/92/73/29/502927329.db2.gz NDRYKEZYMHIBSV-UHFFFAOYSA-N 2 0 372.557 3.411 20 0 FGADRP CC[C@H](C)[NH2+][C@H](CNC(=O)N(C)[C@H]1CC[N@H+](CC)C[C@@H]1C)c1ccco1 ZINC000509591697 502943392 /nfs/dbraw/zinc/94/33/92/502943392.db2.gz RABBCQQMMROROT-FJIDUMEYSA-N 2 0 364.534 3.081 20 0 FGADRP C[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCCCN3Cc3ccc(F)cc3)C2)C1 ZINC000505602040 502945994 /nfs/dbraw/zinc/94/59/94/502945994.db2.gz JYTBGJPPUJEAEV-UNMCSNQZSA-N 2 0 373.516 3.125 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccsc1 ZINC000501149872 502949600 /nfs/dbraw/zinc/94/96/00/502949600.db2.gz IFJZANOMJFIRAI-FGTMMUONSA-N 2 0 364.559 3.057 20 0 FGADRP Cc1ccc([C@H](CNC(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)[NH+]2CCCC2)cc1 ZINC000489435628 502957673 /nfs/dbraw/zinc/95/76/73/502957673.db2.gz XDWAGBLONZVDTN-NJYVYQBISA-N 2 0 372.557 3.304 20 0 FGADRP CCC(CC)(CNC(=O)N1CC[NH+]2CCC1CC2)[NH2+][C@@H](C)c1ccccc1 ZINC000497442363 502960669 /nfs/dbraw/zinc/96/06/69/502960669.db2.gz MVCPUKIUCFMRJD-SFHVURJKSA-N 2 0 372.557 3.386 20 0 FGADRP CC[NH+](CC)Cc1ccc(C(=O)N[C@H]2C[N@H+](C)C[C@H]2c2ccccc2)cc1 ZINC000513613917 502980453 /nfs/dbraw/zinc/98/04/53/502980453.db2.gz UXXYXFZUJVTATP-VXKWHMMOSA-N 2 0 365.521 3.356 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CCCc1ccc(C)cc1 ZINC000505804183 502989003 /nfs/dbraw/zinc/98/90/03/502989003.db2.gz ZXYORYODCLBXMQ-NRFANRHFSA-N 2 0 359.558 3.192 20 0 FGADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000497566397 502990242 /nfs/dbraw/zinc/99/02/42/502990242.db2.gz RRKZEYNWRDWOJQ-HXUWFJFHSA-N 2 0 364.578 3.205 20 0 FGADRP Cn1nnc2cc(C[NH+]3CCC(C[N@H+](C)Cc4ccccc4)CC3)ccc21 ZINC000513753427 503016545 /nfs/dbraw/zinc/01/65/45/503016545.db2.gz CPTVODOZILMBCG-UHFFFAOYSA-N 2 0 363.509 3.312 20 0 FGADRP C[C@H](CNC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)[N@@H+]1CCC[C@H](C)C1 ZINC000501518338 503027926 /nfs/dbraw/zinc/02/79/26/503027926.db2.gz RXXIAXXPRXZYSL-RBUKOAKNSA-N 2 0 372.557 3.202 20 0 FGADRP CC[NH+](CC)CC1CC[NH+](C[C@@H]2CCN(C(=O)c3ccccc3)C2)CC1 ZINC000513960421 503055467 /nfs/dbraw/zinc/05/54/67/503055467.db2.gz HNLUYOKCXVLIQG-FQEVSTJZSA-N 2 0 357.542 3.203 20 0 FGADRP C[C@@H]1C[N@@H+](CCCC[NH2+]Cc2ccccc2-c2ccnn2C)C[C@H](C)O1 ZINC000510275526 503083136 /nfs/dbraw/zinc/08/31/36/503083136.db2.gz ZQGRPMULTURATI-HDICACEKSA-N 2 0 356.514 3.066 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)N[C@H](C)C[NH+]1CCCCC1)c1ccccc1 ZINC000501808628 503084705 /nfs/dbraw/zinc/08/47/05/503084705.db2.gz DDNNTRXXQTUORF-QUCCMNQESA-N 2 0 360.546 3.243 20 0 FGADRP COCCOCCC[NH2+][C@@H]1CCCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000514099999 503088254 /nfs/dbraw/zinc/08/82/54/503088254.db2.gz SKBOSXXRPRDNAY-BHDDXSALSA-N 2 0 360.542 3.320 20 0 FGADRP CC(C)[C@H](C[NH2+][C@H](C)CCc1ccc(F)cc1F)N1CC[NH+](C)CC1 ZINC000514101003 503088261 /nfs/dbraw/zinc/08/82/61/503088261.db2.gz YRHHPMYLBIGECK-UZLBHIALSA-N 2 0 353.501 3.148 20 0 FGADRP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NCCCC[NH+]1CCC[C@@H](C)C1 ZINC000514122757 503093480 /nfs/dbraw/zinc/09/34/80/503093480.db2.gz NRJWLGBBIKMABX-ZRNYENFQSA-N 2 0 366.594 3.164 20 0 FGADRP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NCCCC[NH+]1CCCC[C@@H]1C ZINC000514126584 503094517 /nfs/dbraw/zinc/09/45/17/503094517.db2.gz JVBWSLNJGKQUGJ-QRVBRYPASA-N 2 0 352.567 3.061 20 0 FGADRP C[C@H](NC(=O)NCC1(C[NH+](C)C)CCCC1)[C@@H](c1ccccc1)[NH+](C)C ZINC000501955581 503116058 /nfs/dbraw/zinc/11/60/58/503116058.db2.gz JIBLPFODSNIMQQ-HKUYNNGSSA-N 2 0 360.546 3.099 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)NC[C@@H](C)[N@@H+]1CCC[C@H](C)C1)c1ccco1 ZINC000514225774 503117381 /nfs/dbraw/zinc/11/73/81/503117381.db2.gz PKDSGGAYYRXHRM-RCCFBDPRSA-N 2 0 364.534 3.082 20 0 FGADRP Cc1nccn1C[C@H](C)CNC(=O)N[C@H](C)[C@@H](c1ccccc1C)[NH+](C)C ZINC000490212248 503132030 /nfs/dbraw/zinc/13/20/30/503132030.db2.gz KIPYFHGPSJXXEA-MDYRTPRTSA-N 2 0 371.529 3.127 20 0 FGADRP CC[NH+](CC)Cc1cccc(CNC(=O)N2C[C@@H](C)[N@H+](CC)C[C@H]2C)c1 ZINC000498249938 503141905 /nfs/dbraw/zinc/14/19/05/503141905.db2.gz GOPNMQMSSVYKQN-QZTJIDSGSA-N 2 0 360.546 3.153 20 0 FGADRP C[C@@H]([NH3+])[C@H](C)NC(=O)c1ccc(SCc2cn3ccccc3n2)cc1 ZINC000514602968 503146899 /nfs/dbraw/zinc/14/68/99/503146899.db2.gz VIDCPKOKBVAPEY-KGLIPLIRSA-N 2 0 354.479 3.092 20 0 FGADRP COCCC[NH+]1CCC([NH2+][C@H](C)Cc2cc(OC)c(OC)cc2C)CC1 ZINC000502247852 503169440 /nfs/dbraw/zinc/16/94/40/503169440.db2.gz JUVWTXOEIPILMI-QGZVFWFLSA-N 2 0 364.530 3.034 20 0 FGADRP CC(C)(C)NC(=O)C[NH+]1CCC(C[NH2+][C@@H]2CCC[C@@H]2CCCF)CC1 ZINC000510677268 503170403 /nfs/dbraw/zinc/17/04/03/503170403.db2.gz ANXIIEBGLKQRDG-QZTJIDSGSA-N 2 0 355.542 3.121 20 0 FGADRP C[C@@H](CCc1c(F)cccc1F)[NH2+]CC1CC[NH+](CCN(C)C)CC1 ZINC000510735732 503181713 /nfs/dbraw/zinc/18/17/13/503181713.db2.gz OVDRXRQKSNOEJH-INIZCTEOSA-N 2 0 353.501 3.149 20 0 FGADRP CC[C@@H](C)[NH2+][C@H](CNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1ccco1 ZINC000498414387 503182483 /nfs/dbraw/zinc/18/24/83/503182483.db2.gz PHJKYHAKCNKFSS-AJYUKVHDSA-N 2 0 362.518 3.023 20 0 FGADRP CC[NH+]1CCC(CCNC(=O)N[C@H](C)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000498418974 503183488 /nfs/dbraw/zinc/18/34/88/503183488.db2.gz AMJDBEOLIHXAJB-YLJYHZDGSA-N 2 0 360.546 3.099 20 0 FGADRP COc1cc(C[NH+]2CCC(C[NH+](C)C)CC2)ccc1OCC(F)(F)F ZINC000506907177 503192746 /nfs/dbraw/zinc/19/27/46/503192746.db2.gz FLGJCJIQUAURDV-UHFFFAOYSA-N 2 0 360.420 3.410 20 0 FGADRP C[NH+]1CCN(c2ccc(C[NH2+]Cc3ccc4c(c3)CCCC4)cn2)CC1 ZINC000490596363 503200815 /nfs/dbraw/zinc/20/08/15/503200815.db2.gz WVHNIMBSLYJLMG-UHFFFAOYSA-N 2 0 350.510 3.002 20 0 FGADRP CC(C)(C)[NH+]1CCC([NH2+][C@@H]2CCCN(C(=O)Cc3ccccc3)C2)CC1 ZINC000511008693 503234262 /nfs/dbraw/zinc/23/42/62/503234262.db2.gz DHECLAZOFLVZKJ-HXUWFJFHSA-N 2 0 357.542 3.073 20 0 FGADRP C[C@]12C[C@H]1CCC[C@@H]2[NH2+]Cc1cccc(NC(=O)CCN2CCOCC2)c1 ZINC000502682028 503251228 /nfs/dbraw/zinc/25/12/28/503251228.db2.gz GPEZIIJKTQJJMX-CBQOVEMMSA-N 2 0 371.525 3.016 20 0 FGADRP CC1CC[NH+](CCCCNC(=O)N2CCC([NH+]3CCCCC3)CC2)CC1 ZINC000502812770 503279172 /nfs/dbraw/zinc/27/91/72/503279172.db2.gz UNBWZRAEVAIQRI-UHFFFAOYSA-N 2 0 364.578 3.158 20 0 FGADRP CC(C)([NH2+]CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)c1ccccc1 ZINC000507336892 503279735 /nfs/dbraw/zinc/27/97/35/503279735.db2.gz DVGOKOXXLDCYPD-UHFFFAOYSA-N 2 0 365.521 3.424 20 0 FGADRP CC[NH+](CC)CC1CCN(C(=O)NCCCC[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000502860123 503291710 /nfs/dbraw/zinc/29/17/10/503291710.db2.gz LKIHXCGWHSEMLQ-LJQANCHMSA-N 2 0 366.594 3.262 20 0 FGADRP CCC[C@H]([NH2+]C(C)C)C(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000498917846 503293119 /nfs/dbraw/zinc/29/31/19/503293119.db2.gz IHBWGIMBYBMSLD-SOLBZPMBSA-N 2 0 351.560 3.414 20 0 FGADRP O[C@H]1CC[N@H+](Cc2ccccc2C[NH2+]Cc2ccc3c(c2)CCCC3)C1 ZINC000491293496 503294789 /nfs/dbraw/zinc/29/47/89/503294789.db2.gz FCSKZZOJLFFETD-QHCPKHFHSA-N 2 0 350.506 3.422 20 0 FGADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)NCC2([NH+](C)C)CCCCC2)C1 ZINC000502886633 503298670 /nfs/dbraw/zinc/29/86/70/503298670.db2.gz HNKYVIQLONEWGY-GOSISDBHSA-N 2 0 352.567 3.062 20 0 FGADRP [NH3+][C@@H](CCC(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1)CC1CCCCC1 ZINC000515233611 503298984 /nfs/dbraw/zinc/29/89/84/503298984.db2.gz VFCDEPPHQIYTKE-XKGZKEIXSA-N 2 0 361.505 3.157 20 0 FGADRP CC[NH+](CC)CCCNC(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000515290439 503307240 /nfs/dbraw/zinc/30/72/40/503307240.db2.gz TZNIAXRONMCYGT-UHFFFAOYSA-N 2 0 352.567 3.206 20 0 FGADRP CCc1ccc([C@@H](CNC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)[NH+](C)C)cc1 ZINC000515291180 503308346 /nfs/dbraw/zinc/30/83/46/503308346.db2.gz CRRSPNOXYHWFAT-LJQANCHMSA-N 2 0 374.573 3.460 20 0 FGADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N[C@H]1CC[NH+]([C@@H](C)c2ccccc2)C1 ZINC000503093944 503344843 /nfs/dbraw/zinc/34/48/43/503344843.db2.gz ZSDJFZLYXKNKOR-SESVDKBCSA-N 2 0 372.557 3.386 20 0 FGADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@H]1CCN(c2ccccc2F)C1 ZINC000492052045 503346051 /nfs/dbraw/zinc/34/60/51/503346051.db2.gz XOVBERITWIDQSJ-KRWDZBQOSA-N 2 0 351.429 3.083 20 0 FGADRP Fc1cccc(-c2noc([C@@H]3CCC[N@H+](CC[C@H]4CCC[NH2+]C4)C3)n2)c1 ZINC000515623098 503376032 /nfs/dbraw/zinc/37/60/32/503376032.db2.gz WRPDZOVSCUCPPS-NVXWUHKLSA-N 2 0 358.461 3.445 20 0 FGADRP CCC[N@@H+]1CCC[C@H]1CNC(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000511917197 503414696 /nfs/dbraw/zinc/41/46/96/503414696.db2.gz SMKPRQUZZBUVGI-NRFANRHFSA-N 2 0 372.557 3.167 20 0 FGADRP C[NH+]1CCC(C)(CNC(=O)NCc2ccccc2C[NH+]2CCCCC2)CC1 ZINC000508061719 503421439 /nfs/dbraw/zinc/42/14/39/503421439.db2.gz YDCIWPLRAGLGSD-UHFFFAOYSA-N 2 0 372.557 3.204 20 0 FGADRP Cn1nccc1-c1ccccc1C[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000511956391 503423428 /nfs/dbraw/zinc/42/34/28/503423428.db2.gz RXYPKSRUBRFHFQ-UHFFFAOYSA-N 2 0 361.493 3.488 20 0 FGADRP CCc1ccc(C[NH2+][C@@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)cn1 ZINC000512006157 503432979 /nfs/dbraw/zinc/43/29/79/503432979.db2.gz FZJCQHIZMDZAEJ-INIZCTEOSA-N 2 0 356.489 3.386 20 0 FGADRP CCc1cc(OC)ccc1C[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000503565182 503438091 /nfs/dbraw/zinc/43/80/91/503438091.db2.gz KZJJIVLSTAFFGV-UHFFFAOYSA-N 2 0 359.558 3.107 20 0 FGADRP CCN(CCC[NH+](CC)CC)C(=O)c1ccc(N2CC[NH+](CC)CC2)cc1 ZINC000508202498 503452417 /nfs/dbraw/zinc/45/24/17/503452417.db2.gz CDKYEYYPXJOCEI-UHFFFAOYSA-N 2 0 374.573 3.023 20 0 FGADRP CCc1ccc(C[NH2+]Cc2ccccc2CN2CC[NH+](CC)CC2)cn1 ZINC000512087111 503454150 /nfs/dbraw/zinc/45/41/50/503454150.db2.gz IHJGYIUWMYHUEC-UHFFFAOYSA-N 2 0 352.526 3.071 20 0 FGADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)NCCC[NH2+]C2CCCCC2)C1 ZINC000516165055 503460014 /nfs/dbraw/zinc/46/00/14/503460014.db2.gz SZFWDQPLZDDHOY-WIYYLYMNSA-N 2 0 372.557 3.434 20 0 FGADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H](C)c2cc(C)c(Br)s2)CC1 ZINC000512142714 503467975 /nfs/dbraw/zinc/46/79/75/503467975.db2.gz AOCXFKAPZNNKGB-ZIAGYGMSSA-N 2 0 374.392 3.496 20 0 FGADRP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cccc(I)c2)[C@@H](C)C1 ZINC000516199875 503468991 /nfs/dbraw/zinc/46/89/91/503468991.db2.gz XSCOTVVIOLKSNP-BBRMVZONSA-N 2 0 372.294 3.453 20 0 FGADRP COC(=O)[C@H](c1ccsc1)N1CCC(c2ncc3n2CCCC3)CC1 ZINC000499758156 503474939 /nfs/dbraw/zinc/47/49/39/503474939.db2.gz PYRPYQRBASDTMA-KRWDZBQOSA-N 2 0 359.495 3.375 20 0 FGADRP CCC[NH+]1CCN(c2ccccc2CN2CCC[C@H]2C[NH+]2CCCC2)CC1 ZINC000512291471 503510864 /nfs/dbraw/zinc/51/08/64/503510864.db2.gz AHRUUFDVNJWKSQ-QFIPXVFZSA-N 2 0 370.585 3.279 20 0 FGADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CCc1c[nH]c2cccc(Br)c12 ZINC000516441926 503512940 /nfs/dbraw/zinc/51/29/40/503512940.db2.gz HGTAHUJECYYYJL-IUODEOHRSA-N 2 0 350.304 3.403 20 0 FGADRP O=C(CCCC1CCCCC1)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000500015669 503533890 /nfs/dbraw/zinc/53/38/90/503533890.db2.gz MLSAMCXWEQFYBN-UHFFFAOYSA-N 2 0 372.557 3.461 20 0 FGADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)NC[C@@H]1CCCc2ccccc21 ZINC000504188584 503536574 /nfs/dbraw/zinc/53/65/74/503536574.db2.gz IFGLUDGXHBBEHF-FQEVSTJZSA-N 2 0 374.573 3.022 20 0 FGADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)c1cccc2ccccc21 ZINC000500052325 503542097 /nfs/dbraw/zinc/54/20/97/503542097.db2.gz KVIKHZUCUFDGFL-UHFFFAOYSA-N 2 0 374.488 3.177 20 0 FGADRP CC[N@@H+]1CCCN(C(=O)NCC[C@H]2C[C@H](C)[NH+](Cc3ccccc3)C2)CC1 ZINC000512423676 503545974 /nfs/dbraw/zinc/54/59/74/503545974.db2.gz JBSHAEHWHNHCDT-FPOVZHCZSA-N 2 0 372.557 3.024 20 0 FGADRP CC(C)C[C@H](C[NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)N1CCOCC1 ZINC000508702261 503547132 /nfs/dbraw/zinc/54/71/32/503547132.db2.gz VZWYJLQFLBFPFO-YMPZKCBVSA-N 2 0 373.585 3.234 20 0 FGADRP Cc1ccc(C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c(=O)n1C ZINC000494530773 503558689 /nfs/dbraw/zinc/55/86/89/503558689.db2.gz XYAAGJGSRIYARZ-FDFHNCONSA-N 2 0 365.521 3.084 20 0 FGADRP CCCN(CC[NH+]1CCCCC1)C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000500121092 503559990 /nfs/dbraw/zinc/55/99/90/503559990.db2.gz JOMSVLRMZAABKQ-UHFFFAOYSA-N 2 0 352.567 3.014 20 0 FGADRP CC(C)[N@@H+](C)CC1CCN(C(=O)N[C@@H](C)C[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000516683461 503567897 /nfs/dbraw/zinc/56/78/97/503567897.db2.gz JHDCUKZYSAIJLO-QRVBRYPASA-N 2 0 366.594 3.115 20 0 FGADRP C[C@H](NC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1)[C@H](c1ccccc1)[NH+](C)C ZINC000508850111 503576997 /nfs/dbraw/zinc/57/69/97/503576997.db2.gz DXPGHFDPLPFXDF-SESVDKBCSA-N 2 0 372.557 3.338 20 0 FGADRP C/C=C/c1ccc(OC[C@@H](O)C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)c(OC)c1 ZINC000512543065 503580045 /nfs/dbraw/zinc/58/00/45/503580045.db2.gz YXOAXMKONUTDEG-BVFYMXLQSA-N 2 0 374.525 3.025 20 0 FGADRP C[NH+](C)CC1CC[NH+]([C@@H]2CCN(c3ccc(C(F)(F)F)cc3)C2=O)CC1 ZINC000500232090 503584352 /nfs/dbraw/zinc/58/43/52/503584352.db2.gz RTISCPFOSROCRQ-QGZVFWFLSA-N 2 0 369.431 3.084 20 0 FGADRP C[C@@H](NC(=O)N1CC[NH+](C2CCCCC2)CC1)[C@H](c1ccccc1)[NH+](C)C ZINC000508904092 503596307 /nfs/dbraw/zinc/59/63/07/503596307.db2.gz HFBXXTPQJKFIBJ-WIYYLYMNSA-N 2 0 372.557 3.338 20 0 FGADRP COCCN(CCOC)C1CC[NH+](CCc2ccc3ccccc3c2)CC1 ZINC000512811033 503637728 /nfs/dbraw/zinc/63/77/28/503637728.db2.gz BBMINLKYWHQKED-UHFFFAOYSA-N 2 0 370.537 3.442 20 0 FGADRP CCC[N@@H+]1CC[C@@H](C[NH2+]C[C@H](O)COc2ccc(-c3ccccc3)cc2)C1 ZINC000517025132 503646885 /nfs/dbraw/zinc/64/68/85/503646885.db2.gz JEYCXCIWIUASOJ-UGKGYDQZSA-N 2 0 368.521 3.415 20 0 FGADRP Cc1ccc(-c2ncc(C[N@@H+](C)CCCN(C)CC[NH+](C)C)s2)cc1 ZINC000517058125 503651502 /nfs/dbraw/zinc/65/15/02/503651502.db2.gz BITMIPGXHJGQAA-UHFFFAOYSA-N 2 0 360.571 3.434 20 0 FGADRP CC(C)[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)CC1CC[NH+](C)CC1 ZINC000529703118 503667099 /nfs/dbraw/zinc/66/70/99/503667099.db2.gz WAXMGJHFXCLDAT-OAQYLSRUSA-N 2 0 357.542 3.087 20 0 FGADRP CC1(C(=O)NC[C@@H]2CC[N@@H+]2C2CCCCC2)CCN(c2cc[nH+]cc2)CC1 ZINC000529713981 503671969 /nfs/dbraw/zinc/67/19/69/503671969.db2.gz CALMUVOUUWQEGB-FQEVSTJZSA-N 2 0 370.541 3.211 20 0 FGADRP Cc1ccc([C@H](CNC(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)[NH+](C)C)cc1 ZINC000517112052 503672049 /nfs/dbraw/zinc/67/20/49/503672049.db2.gz IEKXHVZLCUGDJN-RTWAWAEBSA-N 2 0 372.557 3.258 20 0 FGADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2c(C)nn(-c3ccccc3)c2C)C1 ZINC000536696332 503685001 /nfs/dbraw/zinc/68/50/01/503685001.db2.gz IQRCYVZJFPGLAP-OAQYLSRUSA-N 2 0 370.541 3.422 20 0 FGADRP CC(C)C[N@@H+]1CCCC[C@@H]1CN[C@H]1CC[NH+](Cc2ccccn2)C[C@@H]1C ZINC000540146764 503688669 /nfs/dbraw/zinc/68/86/69/503688669.db2.gz KZFURICYIWOBRP-NNWRFLSQSA-N 2 0 358.574 3.392 20 0 FGADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]Cc1ccc(OC(C)(C)C)nc1 ZINC000543240364 503694144 /nfs/dbraw/zinc/69/41/44/503694144.db2.gz VWCHRKDYVUGOKH-UHFFFAOYSA-N 2 0 351.454 3.438 20 0 FGADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1ccc(-c2ccccc2)o1 ZINC000543284811 503709633 /nfs/dbraw/zinc/70/96/33/503709633.db2.gz KXZCJMJLTLTDSY-UHFFFAOYSA-N 2 0 357.498 3.292 20 0 FGADRP C[C@H](CCNC(=O)N[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1)[NH+]1CCCCC1 ZINC000543299870 503716421 /nfs/dbraw/zinc/71/64/21/503716421.db2.gz FBGQNBITVBAZAK-SBHAEUEKSA-N 2 0 372.557 3.386 20 0 FGADRP C[N@@H+]1CCC[C@@H](CNC(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)C1 ZINC000517472216 503751676 /nfs/dbraw/zinc/75/16/76/503751676.db2.gz WMQNOAPXHSJQIJ-IBGZPJMESA-N 2 0 358.530 3.178 20 0 FGADRP C[C@@H]1C[C@H](CC[NH2+]C[C@@H](O)Cc2ccccc2)C[N@@H+]1Cc1ccccc1 ZINC000517555933 503770380 /nfs/dbraw/zinc/77/03/80/503770380.db2.gz BUMLIELAFIRKMR-OIBXWCBGSA-N 2 0 352.522 3.480 20 0 FGADRP CC[NH+]1CCC(CC[NH2+]C[C@H](O)COc2ccc3ccccc3c2)CC1 ZINC000517556373 503770506 /nfs/dbraw/zinc/77/05/06/503770506.db2.gz JUONHNDQNYKSDZ-NRFANRHFSA-N 2 0 356.510 3.291 20 0 FGADRP CN(CC[N@H+](C)CCSc1ccc(Cl)cc1)C1CC[NH+](C)CC1 ZINC000537019676 503778150 /nfs/dbraw/zinc/77/81/50/503778150.db2.gz LFTOUPVFBFUSHW-UHFFFAOYSA-N 2 0 355.979 3.390 20 0 FGADRP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC[C@@H](c2cccs2)[NH+](C)C)C1 ZINC000517593264 503780705 /nfs/dbraw/zinc/78/07/05/503780705.db2.gz MEQMOPRQXGKARL-HOTGVXAUSA-N 2 0 366.575 3.161 20 0 FGADRP CCC1CC[NH+](CC(=O)N2CCC[N@H+](Cc3ccccc3C)CC2)CC1 ZINC000517607694 503784277 /nfs/dbraw/zinc/78/42/77/503784277.db2.gz ZHVZFTNGLLZBKG-UHFFFAOYSA-N 2 0 357.542 3.151 20 0 FGADRP O=C(NC[C@H]1CC[N@@H+]1C1CCCC1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000530026497 503800579 /nfs/dbraw/zinc/80/05/79/503800579.db2.gz JEYFMXZGNAGJEG-OAQYLSRUSA-N 2 0 355.526 3.419 20 0 FGADRP C[C@H]1C[N@H+](CCOc2ccc(CC[NH2+][C@H]3CCCOCC3)cc2)C[C@H]1C ZINC000546606317 503805960 /nfs/dbraw/zinc/80/59/60/503805960.db2.gz WSOJMKNHJXKCEB-ZVDOUQERSA-N 2 0 360.542 3.354 20 0 FGADRP CC(C)c1nc2c([nH]1)C[C@H](C(=O)N1CCN(C)C[C@@H]1c1ccccc1)CC2 ZINC000527512441 503819041 /nfs/dbraw/zinc/81/90/41/503819041.db2.gz HTWTYYPUQSTNEL-YLJYHZDGSA-N 2 0 366.509 3.153 20 0 FGADRP CC(C)C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N(C)C1CC[NH+](C)CC1 ZINC000527635107 503869620 /nfs/dbraw/zinc/86/96/20/503869620.db2.gz IDODZZYUPOFZCN-IFMALSPDSA-N 2 0 371.569 3.333 20 0 FGADRP CC(C)CC[NH+]1CCC(C[NH2+]Cc2csc(-c3cnn(C)c3)n2)CC1 ZINC000527669322 503886843 /nfs/dbraw/zinc/88/68/43/503886843.db2.gz FENOMWZSGOOILD-UHFFFAOYSA-N 2 0 361.559 3.391 20 0 FGADRP O[C@@H]1CCC[C@@H]1[NH+]1CCC([NH2+][C@@H]2CCc3cc(F)c(Cl)cc32)CC1 ZINC000527874791 503981790 /nfs/dbraw/zinc/98/17/90/503981790.db2.gz YOEJNKULPIBWSY-CEXWTWQISA-N 2 0 352.881 3.434 20 0 FGADRP C[C@@H]1C[N@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)[C@H]2CCCC[C@H]12 ZINC000541112257 504012373 /nfs/dbraw/zinc/01/23/73/504012373.db2.gz XXQGPLSPYZDHIP-QIJUGHKUSA-N 2 0 369.553 3.409 20 0 FGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cn(C)nc2-c2ccccc2)[C@@H](C)C1 ZINC000541176452 504032482 /nfs/dbraw/zinc/03/24/82/504032482.db2.gz CAGGGPQRTNCIFJ-GHTZIAJQSA-N 2 0 370.541 3.314 20 0 FGADRP COC(=O)c1ccc(C[NH+]2CCC(CC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)cc1 ZINC000530701167 504056820 /nfs/dbraw/zinc/05/68/20/504056820.db2.gz FUBVZAXFHUHRBC-ROUUACIJSA-N 2 0 374.525 3.185 20 0 FGADRP C[C@@H](CCN1C(=O)c2ccccc2C1=O)[NH2+]CCCC[NH+]1CCC(C)CC1 ZINC000547367930 504078995 /nfs/dbraw/zinc/07/89/95/504078995.db2.gz UFORVCJWNOHVNL-SFHVURJKSA-N 2 0 371.525 3.163 20 0 FGADRP C[NH+]1CCC(NC(=O)[C@H](c2c(F)cccc2Cl)N2CCCCC2)CC1 ZINC000544371559 504106519 /nfs/dbraw/zinc/10/65/19/504106519.db2.gz MLXOYAWLSUVMPN-SFHVURJKSA-N 2 0 367.896 3.217 20 0 FGADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000547502184 504127792 /nfs/dbraw/zinc/12/77/92/504127792.db2.gz LUZOLNWLUYSIEC-UHFFFAOYSA-N 2 0 358.889 3.216 20 0 FGADRP C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]CC[S@@](=O)c1ccccc1 ZINC000547508899 504131759 /nfs/dbraw/zinc/13/17/59/504131759.db2.gz JSSXKJHBCPCBKC-DHTSOJEISA-N 2 0 356.535 3.294 20 0 FGADRP COc1ccccc1[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1)C1CCCC1 ZINC000538098106 504133356 /nfs/dbraw/zinc/13/33/56/504133356.db2.gz AMIBHMKXAGCKQX-NQIIRXRSSA-N 2 0 373.541 3.104 20 0 FGADRP CC[N@H+](Cc1ccc(C(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)cc1)C1CC1 ZINC000534409054 504134611 /nfs/dbraw/zinc/13/46/11/504134611.db2.gz LBYUHHQSUXSPOS-OAQYLSRUSA-N 2 0 369.553 3.475 20 0 FGADRP C[C@@H]1C[NH+](CCC2CC[NH+](Cc3ccccc3N(C)C)CC2)C[C@@H](C)O1 ZINC000530939830 504136333 /nfs/dbraw/zinc/13/63/33/504136333.db2.gz MQZXBVQPMWNJEZ-RTBURBONSA-N 2 0 359.558 3.464 20 0 FGADRP C[NH+](C)C1(CNC(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)CCCCCC1 ZINC000534450233 504145076 /nfs/dbraw/zinc/14/50/76/504145076.db2.gz LGSSCMUJNBSWME-IBGZPJMESA-N 2 0 364.578 3.014 20 0 FGADRP O[C@H](C[NH2+]C1CC[NH+](C2CCCC2)CC1)COCc1ccc(Cl)cc1 ZINC000519141652 504148421 /nfs/dbraw/zinc/14/84/21/504148421.db2.gz ORAABOSMTDLPGQ-HXUWFJFHSA-N 2 0 366.933 3.214 20 0 FGADRP Cc1nc2ccccc2n1C[C@H]1CCC[N@H+]1CC(=O)N1CCC(C)CC1 ZINC000534472291 504151092 /nfs/dbraw/zinc/15/10/92/504151092.db2.gz LINVPCHAWXZBDF-GOSISDBHSA-N 2 0 354.498 3.068 20 0 FGADRP C[C@@H]1C[C@@H](CC[NH2+]C2CCN(C(=O)N(C)C)CC2)C[N@@H+]1Cc1ccccc1 ZINC000538196417 504158841 /nfs/dbraw/zinc/15/88/41/504158841.db2.gz GDQJNQSHKNHCKT-UYAOXDASSA-N 2 0 372.557 3.023 20 0 FGADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)N[C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000541560933 504175686 /nfs/dbraw/zinc/17/56/86/504175686.db2.gz WNLXZYONASWCOH-HLNWXESRSA-N 2 0 359.558 3.426 20 0 FGADRP Cc1ccc(Cl)c(OC[C@H](O)C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)c1 ZINC000541591208 504191077 /nfs/dbraw/zinc/19/10/77/504191077.db2.gz UWRVUIQVDDZFNC-GOSISDBHSA-N 2 0 368.949 3.440 20 0 FGADRP C[C@H](CC[NH+](C)C)NC(=O)NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000519451445 504223899 /nfs/dbraw/zinc/22/38/99/504223899.db2.gz AUOQBHJRGCXOPA-ZWKOTPCHSA-N 2 0 360.546 3.058 20 0 FGADRP C[C@H]1C[C@@H](N(C)C(=O)NCCC[NH+]2CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000519479572 504228806 /nfs/dbraw/zinc/22/88/06/504228806.db2.gz DHDTWYAJFXAMED-FPOVZHCZSA-N 2 0 372.557 3.167 20 0 FGADRP CC[NH+](CC)C[C@H](C)NC(=O)N1CCC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000531246352 504241714 /nfs/dbraw/zinc/24/17/14/504241714.db2.gz QBXPCVGZZPYFAB-RBUKOAKNSA-N 2 0 360.546 3.023 20 0 FGADRP C[C@@H]1C[NH+](CCOc2ccc(CC[NH2+]Cc3cccn3C)cc2)C[C@H]1C ZINC000538454900 504250477 /nfs/dbraw/zinc/25/04/77/504250477.db2.gz UVGIUEKKBYTFHL-RTBURBONSA-N 2 0 355.526 3.324 20 0 FGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cc(C)nc(N3CCCC3)c2)[C@H](C)C1 ZINC000519571460 504257603 /nfs/dbraw/zinc/25/76/03/504257603.db2.gz QNUVHAPCVSKBKD-WIYYLYMNSA-N 2 0 374.573 3.217 20 0 FGADRP COC(=O)c1cc2c(o1)c(OC)ccc2C[NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000531391892 504291947 /nfs/dbraw/zinc/29/19/47/504291947.db2.gz ZBBZXNIPAJUSEI-HUUCEWRRSA-N 2 0 360.454 3.190 20 0 FGADRP CCCC[N@H+](C)C[C@@H](C)NC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000519676053 504297889 /nfs/dbraw/zinc/29/78/89/504297889.db2.gz AXXDFXMHNGJWIA-GOSISDBHSA-N 2 0 360.546 3.202 20 0 FGADRP CCC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N(C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000528652071 504314332 /nfs/dbraw/zinc/31/43/32/504314332.db2.gz RYZFEAMOIKQBSE-ZHHKINOHSA-N 2 0 371.569 3.476 20 0 FGADRP C[C@@H]1C[C@@H]([NH2+]CC2CC[NH+](CC(=O)NC(C)(C)C)CC2)c2ccccc21 ZINC000519721364 504316154 /nfs/dbraw/zinc/31/61/54/504316154.db2.gz FFHFEWZRCPOJBS-OXQOHEQNSA-N 2 0 357.542 3.451 20 0 FGADRP CC1(C)[C@@H](c2cccc(F)c2)CC[N@@H+]1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000528764076 504369834 /nfs/dbraw/zinc/36/98/34/504369834.db2.gz CKYFQTAKXKMJDV-HXUWFJFHSA-N 2 0 373.516 3.137 20 0 FGADRP C[C@@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+][C@H]1CCN(C2CC2)C1 ZINC000531702581 504396818 /nfs/dbraw/zinc/39/68/18/504396818.db2.gz BNSBROXOBBCERZ-JSGCOSHPSA-N 2 0 371.403 3.129 20 0 FGADRP C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)N2CCC[N@@H+](C(C)(C)C)CC2)C1 ZINC000520200335 504433832 /nfs/dbraw/zinc/43/38/32/504433832.db2.gz MKIHXSCRQHZAIJ-OALUTQOASA-N 2 0 366.594 3.260 20 0 FGADRP C[C@H]1CCC[C@H](C)C1[NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000539073145 504464439 /nfs/dbraw/zinc/46/44/39/504464439.db2.gz IIPGERQFRDTLEU-ROUUACIJSA-N 2 0 357.542 3.427 20 0 FGADRP NC(=O)[C@H](c1ccccc1)[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000535673537 504503722 /nfs/dbraw/zinc/50/37/22/504503722.db2.gz AMVOGJKBAZGKQH-NRFANRHFSA-N 2 0 363.505 3.201 20 0 FGADRP C[C@@H]([NH2+]CCc1ccc(OCC[NH+]2C[C@@H](C)[C@H](C)C2)cc1)[C@H]1CCCO1 ZINC000542493597 504512530 /nfs/dbraw/zinc/51/25/30/504512530.db2.gz GKSZBJMBAUMCNH-JPAWQOSXSA-N 2 0 360.542 3.353 20 0 FGADRP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1)c1cn2ccccc2n1 ZINC000548710947 504537074 /nfs/dbraw/zinc/53/70/74/504537074.db2.gz DKERGWSQDZVHJV-KRWDZBQOSA-N 2 0 364.493 3.142 20 0 FGADRP CC[NH+](CC)Cc1cccc(CNC(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)c1 ZINC000520757614 504574992 /nfs/dbraw/zinc/57/49/92/504574992.db2.gz OMNAVKPMYKEOGA-OAQYLSRUSA-N 2 0 372.557 3.298 20 0 FGADRP CC1CC[NH+](C2CCC(NC(=O)CCN(C)c3cc[nH+]cc3)CC2)CC1 ZINC000542786159 504609166 /nfs/dbraw/zinc/60/91/66/504609166.db2.gz BUHXYUXPRZAIIO-UHFFFAOYSA-N 2 0 358.530 3.067 20 0 FGADRP C[NH+]1CCC(O)(C[NH2+][C@@H]2CCC[C@@H]2c2ccc(C(F)(F)F)cc2)CC1 ZINC000539609279 504624642 /nfs/dbraw/zinc/62/46/42/504624642.db2.gz QUAIMQDKMVYMNP-IAGOWNOFSA-N 2 0 356.432 3.388 20 0 FGADRP CC[NH+](CC)Cc1ccccc1C[NH2+][C@@H]1CCN(c2ccccc2)C1=O ZINC000521011565 504628978 /nfs/dbraw/zinc/62/89/78/504628978.db2.gz PETCLPLHJUDHQF-OAQYLSRUSA-N 2 0 351.494 3.424 20 0 FGADRP O=C(NCc1ccccc1C[NH+]1CCCCCC1)N[C@@H]1CC[NH2+]C12CCC2 ZINC000529308906 504630264 /nfs/dbraw/zinc/63/02/64/504630264.db2.gz RCOYIJBPDIXWPV-HXUWFJFHSA-N 2 0 370.541 3.146 20 0 FGADRP CC(C)C[C@H]([NH2+][C@H]1CCSc2c(F)cccc21)C(=O)NCC[NH+](C)C ZINC000539648700 504639630 /nfs/dbraw/zinc/63/96/30/504639630.db2.gz YBYGWSSGZBRGCE-IRXDYDNUSA-N 2 0 367.534 3.045 20 0 FGADRP C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000532446880 504654513 /nfs/dbraw/zinc/65/45/13/504654513.db2.gz MTLTYWXETAGPGI-AYOQOUSVSA-N 2 0 363.933 3.293 20 0 FGADRP COc1ccc([C@H](C)[NH2+][C@@H](CN2CC[NH+](C)CC2)c2ccccc2)cc1 ZINC000532497194 504671174 /nfs/dbraw/zinc/67/11/74/504671174.db2.gz JOBRWJCZKAAGNC-AVRDEDQJSA-N 2 0 353.510 3.335 20 0 FGADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](CC(=O)C23CC4CC(CC(C4)C2)C3)C1 ZINC000532568400 504695010 /nfs/dbraw/zinc/69/50/10/504695010.db2.gz KTPGLTKWHKAGOZ-QPCUBCJCSA-N 2 0 362.558 3.205 20 0 FGADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](C[C@H](OC)c2ccc(Cl)cc2)C1 ZINC000549137512 504698866 /nfs/dbraw/zinc/69/88/66/504698866.db2.gz UOXGJSFIGGKZRQ-MOPGFXCFSA-N 2 0 354.922 3.460 20 0 FGADRP C[C@H](CNC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1)[NH+]1CCC(C)CC1 ZINC000521486018 504746047 /nfs/dbraw/zinc/74/60/47/504746047.db2.gz HHJHZWGTKBFCRJ-CTNGQTDRSA-N 2 0 357.542 3.135 20 0 FGADRP CC[NH+](CC)Cc1cccc(CNC(=O)NC[C@H](C)[NH+]2CCC(C)CC2)c1 ZINC000521509600 504749865 /nfs/dbraw/zinc/74/98/65/504749865.db2.gz PONBAFSPGVABDD-IBGZPJMESA-N 2 0 374.573 3.448 20 0 FGADRP C[C@H](C[NH2+]C[C@@H]1CCN1C1CCCCC1)c1ccc(S(C)(=O)=O)cc1 ZINC000529641203 504750480 /nfs/dbraw/zinc/75/04/80/504750480.db2.gz OFVWRUFVCVPLQP-APWZRJJASA-N 2 0 364.555 3.190 20 0 FGADRP CC1CC[NH+](C2CCC([NH2+]C3CCC(CS(C)(=O)=O)CC3)CC2)CC1 ZINC000521648934 504768589 /nfs/dbraw/zinc/76/85/89/504768589.db2.gz VWXXZFXVGXCZIR-UHFFFAOYSA-N 2 0 370.603 3.223 20 0 FGADRP O=C(C[NH2+][C@H](c1ccccc1)C1CCCC1)NC1CC[NH+](C2CC2)CC1 ZINC000552921507 504788051 /nfs/dbraw/zinc/78/80/51/504788051.db2.gz RORIQMPTFVJYFK-JOCHJYFZSA-N 2 0 355.526 3.251 20 0 FGADRP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000553169928 504842649 /nfs/dbraw/zinc/84/26/49/504842649.db2.gz IPCRZVVUHGMTHP-GIVPXCGWSA-N 2 0 355.526 3.126 20 0 FGADRP O=C(C[N@@H+]1CC[C@H](CC2CC2)C1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000559410798 504855714 /nfs/dbraw/zinc/85/57/14/504855714.db2.gz IMHZBVNDODHGCL-OAQYLSRUSA-N 2 0 355.526 3.021 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)CC1 ZINC000565366308 504866907 /nfs/dbraw/zinc/86/69/07/504866907.db2.gz ARXIQYQRZYBOOC-HZEGPAAWSA-N 2 0 361.574 3.410 20 0 FGADRP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N1CCC[NH+](C(C)(C)C)CC1 ZINC000565395757 504874181 /nfs/dbraw/zinc/87/41/81/504874181.db2.gz HYFWPWCBIKTNPH-GOSISDBHSA-N 2 0 360.546 3.023 20 0 FGADRP C[NH+](C)[C@H](CNC(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(F)cc1 ZINC000553351288 504891353 /nfs/dbraw/zinc/89/13/53/504891353.db2.gz HJXXDBHOESASQK-TZIWHRDSSA-N 2 0 369.484 3.067 20 0 FGADRP CCc1ccc(C[N@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)nc1 ZINC000549866112 504921848 /nfs/dbraw/zinc/92/18/48/504921848.db2.gz MKDQVNRQSBPARN-UHFFFAOYSA-N 2 0 358.574 3.272 20 0 FGADRP Cc1ccccc1C(C)(C)[NH2+]CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000549869207 504922367 /nfs/dbraw/zinc/92/23/67/504922367.db2.gz DSPCWEKDDJGVTE-HXUWFJFHSA-N 2 0 353.510 3.239 20 0 FGADRP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+][C@H](Cc1ccccc1Cl)C1CC1 ZINC000559767050 504924663 /nfs/dbraw/zinc/92/46/63/504924663.db2.gz NIPVZZPUUVZRIX-AZUAARDMSA-N 2 0 350.934 3.488 20 0 FGADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]C1CCC(CS(C)(=O)=O)CC1 ZINC000559774292 504926502 /nfs/dbraw/zinc/92/65/02/504926502.db2.gz POTNCQFKXGAWJT-JEVOJNTISA-N 2 0 358.592 3.080 20 0 FGADRP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C[NH+]1CCC(C)(C)C1 ZINC000553497587 504932392 /nfs/dbraw/zinc/93/23/92/504932392.db2.gz DSNYYTQECHDNCC-HXUWFJFHSA-N 2 0 357.542 3.089 20 0 FGADRP C[C@@]1(CNC(=O)Nc2ccc3c(c2)C[NH2+]C3)CCC[N@@H+]1Cc1ccccc1 ZINC000562772533 504940190 /nfs/dbraw/zinc/94/01/90/504940190.db2.gz GHPDIABZNOXQRX-QFIPXVFZSA-N 2 0 364.493 3.466 20 0 FGADRP CCCN(C(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)C)C1CC[NH2+]CC1 ZINC000562804878 504952522 /nfs/dbraw/zinc/95/25/22/504952522.db2.gz BBQSXANICAQXCK-GOSISDBHSA-N 2 0 366.937 3.116 20 0 FGADRP C[C@H]([NH3+])[C@H]1CCCN(C(=O)NCc2ccccc2C[NH+]2CCC(C)CC2)C1 ZINC000562814197 504955207 /nfs/dbraw/zinc/95/52/07/504955207.db2.gz SLSFZPVDCCEFEH-ICSRJNTNSA-N 2 0 372.557 3.187 20 0 FGADRP CC[C@@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@H+](C)Cc1ccccc1 ZINC000550128115 504972921 /nfs/dbraw/zinc/97/29/21/504972921.db2.gz YJWSTJTYIUAJGZ-VXKWHMMOSA-N 2 0 365.521 3.288 20 0 FGADRP C/C(=C/c1cccc(C(F)(F)F)c1)C[NH2+]C[C@H](C)N1CC[NH+](C)CC1 ZINC000565739055 504973458 /nfs/dbraw/zinc/97/34/58/504973458.db2.gz XHOUSJWOEILYFT-QZFKAFNDSA-N 2 0 355.448 3.334 20 0 FGADRP C[C@@H](C(=O)N1CCN(c2cc[nH+]c3ccccc32)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000556832974 504989327 /nfs/dbraw/zinc/98/93/27/504989327.db2.gz NYUSEJZVEBFLCZ-KSZLIROESA-N 2 0 366.509 3.145 20 0 FGADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]CCc1cccc(C(F)(F)F)n1 ZINC000550226508 504996045 /nfs/dbraw/zinc/99/60/45/504996045.db2.gz CNPQWAYPFABPHJ-UHFFFAOYSA-N 2 0 361.371 3.322 20 0 FGADRP O[C@H](C[NH2+][C@H]1CCN(Cc2ccccc2)C2(CC2)C1)Cc1ccccc1 ZINC000565833081 505001342 /nfs/dbraw/zinc/00/13/42/505001342.db2.gz KMDBPPAQGHTKAH-VXKWHMMOSA-N 2 0 350.506 3.377 20 0 FGADRP O[C@H](C[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)COc1ccc(-c2ccccc2)cc1 ZINC000562987325 505010718 /nfs/dbraw/zinc/01/07/18/505010718.db2.gz GTMBCVTXSZYRSR-PGRDOPGGSA-N 2 0 366.505 3.167 20 0 FGADRP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)C[C@@H](O)CC(F)(F)F)C2)s1 ZINC000565917897 505026190 /nfs/dbraw/zinc/02/61/90/505026190.db2.gz STNUCDRWWKZETB-KBPBESRZSA-N 2 0 350.450 3.124 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1nsc2ccc(C)cc21 ZINC000550387849 505031650 /nfs/dbraw/zinc/03/16/50/505031650.db2.gz USWDGOCQXQEHRB-INIZCTEOSA-N 2 0 374.554 3.093 20 0 FGADRP COc1cc(C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)ccc1OCC(F)(F)F ZINC000563135149 505057544 /nfs/dbraw/zinc/05/75/44/505057544.db2.gz HTFGTUXNZVENKK-CVEARBPZSA-N 2 0 372.431 3.458 20 0 FGADRP C[C@@H]1C[C@H]([NH2+]C[C@H](O)COc2ccc(Oc3ccccc3)cc2)CC[N@@H+]1C ZINC000566063610 505069939 /nfs/dbraw/zinc/06/99/39/505069939.db2.gz DUPKJRPKNOKMBW-QRVBRYPASA-N 2 0 370.493 3.291 20 0 FGADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000566089291 505077111 /nfs/dbraw/zinc/07/71/11/505077111.db2.gz UCRFYRDURFLTIL-JKOKRWQUSA-N 2 0 362.827 3.050 20 0 FGADRP Cc1c([C@H](C)[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)nnn1-c1ccc(Cl)cc1 ZINC000566092199 505077341 /nfs/dbraw/zinc/07/73/41/505077341.db2.gz OXQBEVDQIFMCPK-MKVSYHDVSA-N 2 0 359.905 3.268 20 0 FGADRP [NH3+]CCC1CCN(C(=O)NCc2ccccc2C[NH+]2CCCCCC2)CC1 ZINC000563270895 505092853 /nfs/dbraw/zinc/09/28/53/505092853.db2.gz DJIZYZBRBWTCHN-UHFFFAOYSA-N 2 0 372.557 3.333 20 0 FGADRP O[C@@H]1C[C@@H](CNC2CC[NH+](C3CCCCC3)CC2)[N@H+](Cc2ccccc2)C1 ZINC000557272595 505102836 /nfs/dbraw/zinc/10/28/36/505102836.db2.gz BHZVYALTZFRRTD-XZOQPEGZSA-N 2 0 371.569 3.009 20 0 FGADRP C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)[C@@H]([NH3+])C2CCC2)cc1 ZINC000566171370 505103318 /nfs/dbraw/zinc/10/33/18/505103318.db2.gz CKYWPVNQQLOANK-NRFANRHFSA-N 2 0 351.494 3.159 20 0 FGADRP CCC[C@H](C)C(=O)NCC[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000550830902 505110999 /nfs/dbraw/zinc/11/09/99/505110999.db2.gz LRANWQWCCWORNA-VXSCBNMQSA-N 2 0 371.569 3.429 20 0 FGADRP CCC[C@H](C)C(=O)NCC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000550837493 505112384 /nfs/dbraw/zinc/11/23/84/505112384.db2.gz YOCHGRWDPQHJBA-ZIBCJSCZSA-N 2 0 357.542 3.324 20 0 FGADRP C[C@@H]1C[NH+](CCOc2ccc(CC[NH2+]C3CCC(O)CC3)cc2)C[C@H]1C ZINC000560543856 505120430 /nfs/dbraw/zinc/12/04/30/505120430.db2.gz CVBHLRDLSWBIEU-IGBVOLGGSA-N 2 0 360.542 3.089 20 0 FGADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+][C@H](CCO)C2CCOCC2)CC1 ZINC000560548011 505122988 /nfs/dbraw/zinc/12/29/88/505122988.db2.gz BVUBFBBPMOFFSE-LZBANZJXSA-N 2 0 360.542 3.197 20 0 FGADRP C[C@H]1CCC[N@H+](CCCCNC(=O)[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000557419539 505129638 /nfs/dbraw/zinc/12/96/38/505129638.db2.gz MMMHXKGDLLUOIA-FPOVZHCZSA-N 2 0 357.542 3.137 20 0 FGADRP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000557563430 505168896 /nfs/dbraw/zinc/16/88/96/505168896.db2.gz MUCOCFCKHIZUKB-ICSRJNTNSA-N 2 0 357.542 3.135 20 0 FGADRP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000563581354 505183279 /nfs/dbraw/zinc/18/32/79/505183279.db2.gz OSXGBGGJAXTGDT-DFGXFYAUSA-N 2 0 364.559 3.042 20 0 FGADRP Cc1ccc(Cl)c(OC[C@H](O)C[NH2+]C[C@@H]2CCC[N@@H+](CC(C)C)C2)c1 ZINC000563618654 505194243 /nfs/dbraw/zinc/19/42/43/505194243.db2.gz ZOFZWFWICAFZME-ZWKOTPCHSA-N 2 0 368.949 3.346 20 0 FGADRP CSC1(C[NH2+]Cc2c(C)nn(-c3ccccc3)c2C)CC[NH+](C)CC1 ZINC000566531715 505196322 /nfs/dbraw/zinc/19/63/22/505196322.db2.gz CBGOHGPCFWPNSX-UHFFFAOYSA-N 2 0 358.555 3.406 20 0 FGADRP CCOc1cccc2cc([C@@H](C)[NH2+]CC(=O)NC3CC[NH+](CC)CC3)oc21 ZINC000560846929 505201251 /nfs/dbraw/zinc/20/12/51/505201251.db2.gz HCNRYTFYJOMHGI-OAHLLOKOSA-N 2 0 373.497 3.083 20 0 FGADRP O=C(N[C@@H]1CCC[N@H+](CC[C@@H]2CCC[NH2+]C2)C1)c1cc2ccccc2o1 ZINC000563667927 505205472 /nfs/dbraw/zinc/20/54/72/505205472.db2.gz XPUVHELGCLNZPH-FUHWJXTLSA-N 2 0 355.482 3.017 20 0 FGADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2C[C@H]([NH+]3CCCC3)C[C@@H]2C)C1 ZINC000557853185 505245989 /nfs/dbraw/zinc/24/59/89/505245989.db2.gz YFOISFJQUJZIKA-IPMKNSEASA-N 2 0 364.578 3.155 20 0 FGADRP CC[N@@H+]1CCC[C@@H](CNCc2ccc(C(=O)OC)cc2Br)C1 ZINC000551547678 505250273 /nfs/dbraw/zinc/25/02/73/505250273.db2.gz SYPBZNJTLCWDGW-ZDUSSCGKSA-N 2 0 369.303 3.057 20 0 FGADRP C[N@@H+]1CC[C@H]([NH2+]C[C@H](CO)Cc2c(F)cccc2Cl)[C@@H]2CCC[C@@H]21 ZINC000563827618 505250599 /nfs/dbraw/zinc/25/05/99/505250599.db2.gz DTSYLZLVYXKSQW-WXRFYESLSA-N 2 0 354.897 3.093 20 0 FGADRP C[NH+](C)CCc1ccc(C(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)cc1 ZINC000563896815 505269417 /nfs/dbraw/zinc/26/94/17/505269417.db2.gz IAOTWBOWBZYWCE-NRFANRHFSA-N 2 0 357.542 3.318 20 0 FGADRP FC(F)(F)c1ccc(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)nc1 ZINC000551700045 505284972 /nfs/dbraw/zinc/28/49/72/505284972.db2.gz RVNOQNURNFQICQ-UHFFFAOYSA-N 2 0 357.420 3.035 20 0 FGADRP O[C@H](C[NH2+][C@H]1CCC[C@H]1c1cccc(C(F)(F)F)c1)C[NH+]1CCCC1 ZINC000551789830 505307343 /nfs/dbraw/zinc/30/73/43/505307343.db2.gz SGQSIYIQFFRQAD-SQNIBIBYSA-N 2 0 356.432 3.388 20 0 FGADRP COc1ccc([C@H](CN(C)C)[NH2+][C@H]2CN(Cc3ccccc3)C[C@@H]2C)cc1 ZINC000551805565 505313112 /nfs/dbraw/zinc/31/31/12/505313112.db2.gz VFELRUHEKLPCLV-TZYHBYERSA-N 2 0 367.537 3.408 20 0 FGADRP COc1ccc([C@@H](C[NH+](C)C)N[C@H]2CC[N@H+](CCc3ccccc3)C2)cc1 ZINC000551806645 505314341 /nfs/dbraw/zinc/31/43/41/505314341.db2.gz UWIKGVQIAUQORM-JTHBVZDNSA-N 2 0 367.537 3.205 20 0 FGADRP COc1ccc([C@H](C[NH+](C)C)N[C@@H]2CC[N@H+](CCc3ccccc3)C2)cc1 ZINC000551806643 505314431 /nfs/dbraw/zinc/31/44/31/505314431.db2.gz UWIKGVQIAUQORM-GGAORHGYSA-N 2 0 367.537 3.205 20 0 FGADRP C[NH+](C)C[C@H](N[C@H]1CC[N@H+](CCc2ccccc2)C1)c1ccc(F)cc1 ZINC000558252370 505344768 /nfs/dbraw/zinc/34/47/68/505344768.db2.gz LCGVDDOCYLVFNR-VXKWHMMOSA-N 2 0 355.501 3.335 20 0 FGADRP CC[N@H+](C)[C@H](C(=O)N(C)CCC[NH+](C)Cc1ccco1)c1ccccc1 ZINC000561459956 505351430 /nfs/dbraw/zinc/35/14/30/505351430.db2.gz TURUHXKOBSTQHY-FQEVSTJZSA-N 2 0 357.498 3.253 20 0 FGADRP C[NH+](C)C[C@H](NC(=O)NCCC[NH+]1CCCCC1)c1ccc(Cl)cc1 ZINC000555114277 505353994 /nfs/dbraw/zinc/35/39/94/505353994.db2.gz CFMSWYOEQAJARA-SFHVURJKSA-N 2 0 366.937 3.118 20 0 FGADRP C[NH+](C)C[C@@H](NC(=O)NCCC[NH+]1CCCCC1)c1ccc(Cl)cc1 ZINC000555114275 505354084 /nfs/dbraw/zinc/35/40/84/505354084.db2.gz CFMSWYOEQAJARA-GOSISDBHSA-N 2 0 366.937 3.118 20 0 FGADRP C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)NCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000561506532 505363328 /nfs/dbraw/zinc/36/33/28/505363328.db2.gz ZMDNCHZRCRSAHD-ZSYWTGECSA-N 2 0 364.578 3.011 20 0 FGADRP Cc1ccccc1[C@H]([C@H](C)NC(=O)NC1CC[NH+](C(C)C)CC1)[NH+](C)C ZINC000558380524 505371783 /nfs/dbraw/zinc/37/17/83/505371783.db2.gz JMOGXEIMGMYWBB-PXNSSMCTSA-N 2 0 360.546 3.158 20 0 FGADRP C[C@@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+]CCC1=CC[NH2+]CC1 ZINC000567159494 505380865 /nfs/dbraw/zinc/38/08/65/505380865.db2.gz MTHLWOPLNBFOTG-ZDUSSCGKSA-N 2 0 355.404 3.322 20 0 FGADRP COc1ccc(CC[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)c(Cl)c1OC ZINC000567223694 505399555 /nfs/dbraw/zinc/39/95/55/505399555.db2.gz UVBSTLFQXXJXTB-OAGGEKHMSA-N 2 0 352.906 3.362 20 0 FGADRP CC(C)[N@H+](C)CC1CCN(C(=O)N[C@@H](CCC[NH3+])c2ccccc2)CC1 ZINC000567223066 505400038 /nfs/dbraw/zinc/40/00/38/505400038.db2.gz XWUYOCUTCYYUPZ-FQEVSTJZSA-N 2 0 360.546 3.228 20 0 FGADRP CSc1ccc([C@H](CNC(=O)[C@H](C)[NH+]2[C@H](C)CC[C@H]2C)[NH+](C)C)cc1 ZINC000561727353 505419493 /nfs/dbraw/zinc/41/94/93/505419493.db2.gz UAJZVTFPBIPKFU-JEWRLFTDSA-N 2 0 363.571 3.389 20 0 FGADRP C[C@@H]1C[N@@H+](CCCC[NH2+]Cc2conc2Cc2ccccc2)C[C@H](C)O1 ZINC000555530027 505447089 /nfs/dbraw/zinc/44/70/89/505447089.db2.gz JSWZCJOOXKIIHS-HDICACEKSA-N 2 0 357.498 3.244 20 0 FGADRP C[C@H](NC(=O)[C@H](C)[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)c1cccc2ccccc21 ZINC000567386874 505448226 /nfs/dbraw/zinc/44/82/26/505448226.db2.gz LKGLIEQXQBOPSW-QGZVKYPTSA-N 2 0 365.521 3.337 20 0 FGADRP CC[NH+]1CCN(Cc2ccc(NC(=O)CC[N@@H+]3CCCC[C@@H]3C)cc2)CC1 ZINC000555546733 505452975 /nfs/dbraw/zinc/45/29/75/505452975.db2.gz FOFRUQFGZWYRJX-IBGZPJMESA-N 2 0 372.557 3.027 20 0 FGADRP CCCC[N@H+](C)C[C@@H](C)NC(=O)N[C@H]1CC[NH+](Cc2ccccc2)C[C@@H]1C ZINC000567410586 505454862 /nfs/dbraw/zinc/45/48/62/505454862.db2.gz XDJVCJDKXICNTF-ZVDOUQERSA-N 2 0 374.573 3.317 20 0 FGADRP CCc1ccc([C@H](C)NC(=O)[C@@H](C)N2CC[C@]3(C2)CCC[N@H+](C)C3)cc1 ZINC000555598433 505469284 /nfs/dbraw/zinc/46/92/84/505469284.db2.gz UARKHYRBWWTCJB-NJNPRVFISA-N 2 0 357.542 3.232 20 0 FGADRP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+]1CC[C@H](CC2CC2)C1 ZINC000555697067 505492580 /nfs/dbraw/zinc/49/25/80/505492580.db2.gz ROMZVGYONURQFT-WIYYLYMNSA-N 2 0 369.553 3.278 20 0 FGADRP COC1CCN(C2(C[NH2+][C@H]3CCO[C@H](C(F)(F)F)C3)CCCC2)CC1 ZINC000562040310 505498884 /nfs/dbraw/zinc/49/88/84/505498884.db2.gz ZBQGHISZNVLIAM-HOCLYGCPSA-N 2 0 364.452 3.110 20 0 FGADRP C[C@H](c1nc(-c2ccccc2)no1)[NH+]1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000567573905 505503330 /nfs/dbraw/zinc/50/33/30/505503330.db2.gz MREQCBRHGIJIQW-ZTFGCOKTSA-N 2 0 356.470 3.016 20 0 FGADRP CSC1(C[NH2+]Cc2c(C3CC3)nc3sccn23)CC[NH+](C)CC1 ZINC000562081503 505512755 /nfs/dbraw/zinc/51/27/55/505512755.db2.gz NWUGRKJKVYNKAZ-UHFFFAOYSA-N 2 0 350.557 3.190 20 0 FGADRP C[C@@H]([NH2+][C@@H](C)c1ccc(S(=O)(=O)C2CCCC2)cc1)[C@H]1CCC[NH2+]C1 ZINC000564822676 505529397 /nfs/dbraw/zinc/52/93/97/505529397.db2.gz QFGNHBBRYVWBPN-JZXOWHBKSA-N 2 0 364.555 3.442 20 0 FGADRP CN1CCN([C@H](C[NH2+]CC2Cc3ccccc3C2)c2cccs2)CC1 ZINC000562201083 505538454 /nfs/dbraw/zinc/53/84/54/505538454.db2.gz AOBQMWYRSRXXQF-HXUWFJFHSA-N 2 0 355.551 3.041 20 0 FGADRP C[C@]1([NH3+])CCCC[C@@H]1C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000564993310 505566240 /nfs/dbraw/zinc/56/62/40/505566240.db2.gz SHQJHTKSGAMLOL-GNXKAVGDSA-N 2 0 369.553 3.407 20 0 FGADRP C[C@H](C(=O)N(CC[NH+](C)C)Cc1ccccc1F)[C@H]([NH3+])c1ccccc1 ZINC000583082810 506582058 /nfs/dbraw/zinc/58/20/58/506582058.db2.gz CLBWBQIJFZTLMZ-JXFKEZNVSA-N 2 0 357.473 3.052 20 0 FGADRP NC(=O)[C@H]1CC[C@H](C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)CC1 ZINC000583197693 506645100 /nfs/dbraw/zinc/64/51/00/506645100.db2.gz COBRWHNJIZWGIX-GLOJMNGXSA-N 2 0 369.553 3.311 20 0 FGADRP CCN(CC(=O)Nc1cc(F)ccc1F)Cc1ccc(C[NH+](C)C)cc1 ZINC000589999455 506701710 /nfs/dbraw/zinc/70/17/10/506701710.db2.gz JNBDEFORRVCGSH-UHFFFAOYSA-N 2 0 361.436 3.487 20 0 FGADRP O=C(CN1CC[C@]2(C1)CCC[NH2+]C2)N[C@H](c1ccc(F)cc1)C1CCCC1 ZINC000583441280 506780741 /nfs/dbraw/zinc/78/07/41/506780741.db2.gz UYTCLMFQDDUJRR-FCHUYYIVSA-N 2 0 373.516 3.249 20 0 FGADRP C[NH+](C)Cc1cc(CNC(=O)c2cccc(C[NH+]3CCCC3)c2)ccc1F ZINC000604342390 506795824 /nfs/dbraw/zinc/79/58/24/506795824.db2.gz JGJSOBLBRHJRAZ-UHFFFAOYSA-N 2 0 369.484 3.413 20 0 FGADRP O=C(NCc1cccc(C[NH+]2CCCCCC2)c1)N[C@@H]1CC12CC[NH2+]CC2 ZINC000612970711 506844976 /nfs/dbraw/zinc/84/49/76/506844976.db2.gz LHWULXUILDGWIY-HXUWFJFHSA-N 2 0 370.541 3.004 20 0 FGADRP Cc1ccc([C@@H](CNC(=O)c2ccc(CC[NH+](C)C)cc2)[NH+](C)C)cc1 ZINC000583647862 506893799 /nfs/dbraw/zinc/89/37/99/506893799.db2.gz KVSHABVMTXBCOP-OAQYLSRUSA-N 2 0 353.510 3.132 20 0 FGADRP CC(C)[NH+](CCNC(=O)N1CC[NH+](C2CCC(C)CC2)CC1)C(C)C ZINC000604631728 506895960 /nfs/dbraw/zinc/89/59/60/506895960.db2.gz ZBIVIPAEZKTNSJ-UHFFFAOYSA-N 2 0 352.567 3.011 20 0 FGADRP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000604631948 506896826 /nfs/dbraw/zinc/89/68/26/506896826.db2.gz JQOVXGNYXADFKW-IBGZPJMESA-N 2 0 364.578 3.158 20 0 FGADRP CC(C)[C@H](CNC(=O)N1CC[C@H]([NH+]2CCCCC2)C1)[NH+]1CCC(C)CC1 ZINC000594089721 506934083 /nfs/dbraw/zinc/93/40/83/506934083.db2.gz SDMNEUKVKZIFBG-PMACEKPBSA-N 2 0 364.578 3.013 20 0 FGADRP CC(C)[NH2+][C@@H]1CCCN(C(=O)NC2CC[NH+]([C@@H](C)c3ccccc3)CC2)C1 ZINC000604822486 506956276 /nfs/dbraw/zinc/95/62/76/506956276.db2.gz KBHPIBMNAHMGKQ-GHTZIAJQSA-N 2 0 372.557 3.384 20 0 FGADRP C[N@H+](CCCNC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1)C1CCCCC1 ZINC000594288801 507064620 /nfs/dbraw/zinc/06/46/20/507064620.db2.gz VOXAWLXOIUFPFO-FQEVSTJZSA-N 2 0 364.578 3.301 20 0 FGADRP CN(CCC[N@H+](C)Cc1ccco1)C(=O)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000584061976 507132342 /nfs/dbraw/zinc/13/23/42/507132342.db2.gz AMJJBUANNYCXNJ-HXUWFJFHSA-N 2 0 369.509 3.082 20 0 FGADRP CC(C)[C@H](C(=O)N[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1)[NH+]1CCCCC1 ZINC000591154645 507135744 /nfs/dbraw/zinc/13/57/44/507135744.db2.gz QPWIYKBCSWMTGB-SESVDKBCSA-N 2 0 357.542 3.449 20 0 FGADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)NC[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000600859698 507150345 /nfs/dbraw/zinc/15/03/45/507150345.db2.gz MXYFRQOYDNIDMX-LEWJYISDSA-N 2 0 372.557 3.072 20 0 FGADRP CC[NH+](CC)CCOc1ccc(NC(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000605340119 507153018 /nfs/dbraw/zinc/15/30/18/507153018.db2.gz MHXDUAYNMQJGAH-OALUTQOASA-N 2 0 374.529 3.156 20 0 FGADRP CC[NH+](CC)CCOc1ccc(NC(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000605339825 507153742 /nfs/dbraw/zinc/15/37/42/507153742.db2.gz QMJCUSWCLSNLCC-PMACEKPBSA-N 2 0 374.529 3.156 20 0 FGADRP COC(=O)c1ccc(Cl)c(C[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)c1 ZINC000594734550 507259604 /nfs/dbraw/zinc/25/96/04/507259604.db2.gz AYCVBVNWGGDZBU-MRXNPFEDSA-N 2 0 350.890 3.338 20 0 FGADRP CC(C)[C@H](CNC(=O)NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1)[NH+]1CCCC1 ZINC000591559040 507292646 /nfs/dbraw/zinc/29/26/46/507292646.db2.gz CHPJFHREEISZAZ-AQNXPRMDSA-N 2 0 366.594 3.164 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)N1CCC[C@H]([NH2+]C(C)C)C1)Cc1ccccc1 ZINC000601243696 507309227 /nfs/dbraw/zinc/30/92/27/507309227.db2.gz BVAGOJHBQVFTAV-LEWJYISDSA-N 2 0 374.573 3.112 20 0 FGADRP COC(=O)CC1CC([NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000591656129 507324604 /nfs/dbraw/zinc/32/46/04/507324604.db2.gz KTELFVMBLCATCA-SSXNTNPLSA-N 2 0 356.510 3.218 20 0 FGADRP CC(C)(C)[C@@H]1NC(=O)CC[C@H]1[NH2+][C@@H]1CCN(Cc2ccccc2)C2(CC2)C1 ZINC000584409187 507329792 /nfs/dbraw/zinc/32/97/92/507329792.db2.gz AZNBISYRSQVEJZ-SFHLNBCPSA-N 2 0 369.553 3.467 20 0 FGADRP COC(=O)c1cc(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CC23CCC3)c[nH]1 ZINC000594999267 507348259 /nfs/dbraw/zinc/34/82/59/507348259.db2.gz BTVAMWYISFXQQY-IBGZPJMESA-N 2 0 367.493 3.193 20 0 FGADRP CCc1ccc([C@@H](CNC(=O)N2CCC[C@H]2C[NH+]2CCCC2)[NH+](C)C)cc1 ZINC000584460956 507358265 /nfs/dbraw/zinc/35/82/65/507358265.db2.gz YWTSJORMYJPRQB-LEWJYISDSA-N 2 0 372.557 3.122 20 0 FGADRP COc1ccc(Oc2ccc(C[NH2+][C@H](C)CN3CC[NH+](C)CC3)cc2)cc1 ZINC000584493030 507375868 /nfs/dbraw/zinc/37/58/68/507375868.db2.gz DEFFONWWKICCRN-GOSISDBHSA-N 2 0 369.509 3.213 20 0 FGADRP CC[N@@H+]1CC[C@H]([NH2+]CCc2ccc(I)cc2)[C@@H](C)C1 ZINC000595095623 507390488 /nfs/dbraw/zinc/39/04/88/507390488.db2.gz RTPXMXSJFHAOLX-BBRMVZONSA-N 2 0 372.294 3.154 20 0 FGADRP C[N@H+](Cc1ccccc1C[NH2+]C[C@H]1CNc2ccnn2C1)C1CCCCC1 ZINC000595151516 507413175 /nfs/dbraw/zinc/41/31/75/507413175.db2.gz NUMYRSSEERFMAI-SFHVURJKSA-N 2 0 367.541 3.479 20 0 FGADRP CC(C)CCn1cccc1C[NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000606469725 507417564 /nfs/dbraw/zinc/41/75/64/507417564.db2.gz NPEPQRWOZUEEQQ-UHFFFAOYSA-N 2 0 369.557 3.231 20 0 FGADRP O=C(Nc1ccc2nccn2c1)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000606581227 507449244 /nfs/dbraw/zinc/44/92/44/507449244.db2.gz VOAYZBRCZAFFDB-UHFFFAOYSA-N 2 0 355.486 3.454 20 0 FGADRP CC[NH+](CC)Cc1ccccc1CNC(=O)N[C@@H](C)C1CC[NH+](C)CC1 ZINC000606627308 507457160 /nfs/dbraw/zinc/45/71/60/507457160.db2.gz GKSHPJWHKDOYLX-KRWDZBQOSA-N 2 0 360.546 3.058 20 0 FGADRP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)N[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000606690474 507482127 /nfs/dbraw/zinc/48/21/27/507482127.db2.gz AGGKCXBKGCXQRN-NHCUHLMSSA-N 2 0 372.557 3.195 20 0 FGADRP C[NH+](C)[C@@H](CNC(=O)Nc1ccn2ccnc2c1)c1ccc(Cl)cc1 ZINC000584868489 507547856 /nfs/dbraw/zinc/54/78/56/507547856.db2.gz BKSCWMBAHDYSHE-INIZCTEOSA-N 2 0 357.845 3.412 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCC[NH+](Cc3ccccc3)C2)C[C@H]1C ZINC000607123790 507620466 /nfs/dbraw/zinc/62/04/66/507620466.db2.gz PARSLYJUILRARC-GIVPXCGWSA-N 2 0 357.542 3.230 20 0 FGADRP C[C@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+][C@@H]1CC[C@H](C(=O)OC(C)(C)C)C1 ZINC000592404786 507643133 /nfs/dbraw/zinc/64/31/33/507643133.db2.gz WNWJYNFLFGCTMT-GNBUJSLZSA-N 2 0 373.541 3.392 20 0 FGADRP C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)NCC[NH+](C)C1CCCC1 ZINC000607180524 507647334 /nfs/dbraw/zinc/64/73/34/507647334.db2.gz ZFBYBCTUAUCDBG-IBGZPJMESA-N 2 0 372.557 3.167 20 0 FGADRP CC(C)[C@@H](NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1ccccc1Cl ZINC000607245293 507669734 /nfs/dbraw/zinc/66/97/34/507669734.db2.gz IWRJXOMWPSVOAR-GOSISDBHSA-N 2 0 368.953 3.172 20 0 FGADRP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)[C@H]1CCCC[NH+]1Cc1ccccc1 ZINC000607284611 507679964 /nfs/dbraw/zinc/67/99/64/507679964.db2.gz ILWHDROGGIVKID-SFHLNBCPSA-N 2 0 357.542 3.278 20 0 FGADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC000607384383 507716133 /nfs/dbraw/zinc/71/61/33/507716133.db2.gz CVIURDQDFLAEPA-DYESRHJHSA-N 2 0 351.494 3.314 20 0 FGADRP c1ccc(C[N@H+]2C[C@@H]3CCCC[C@@H]([NH2+]CCNc4cnccn4)[C@H]3C2)cc1 ZINC000513662395 516709704 /nfs/dbraw/zinc/70/97/04/516709704.db2.gz VDCFAZCNGKFTBE-PCCBWWKXSA-N 2 0 365.525 3.169 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)N[C@H]1CCC[NH2+]CC1 ZINC000669117921 568038381 /nfs/dbraw/zinc/03/83/81/568038381.db2.gz WWOYBJMHMNRKKA-XLIONFOSSA-N 2 0 358.530 3.002 20 0 FGADRP CC[C@@H]1CN(C(=O)NCc2ccccc2C[N@@H+]2CCC[C@@H](C)C2)CC[C@H]1[NH3+] ZINC000669125146 568086084 /nfs/dbraw/zinc/08/60/84/568086084.db2.gz OSIGYYJIDVMQRW-DBXWQHBBSA-N 2 0 372.557 3.187 20 0 FGADRP CC[NH+](CC)Cc1cccc(C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)c1 ZINC000821196956 607473917 /nfs/dbraw/zinc/47/39/17/607473917.db2.gz DHUMQIDOUIHFPG-UHFFFAOYSA-N 2 0 368.460 3.137 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000820706393 606915145 /nfs/dbraw/zinc/91/51/45/606915145.db2.gz ZQFCEABWNJIDNZ-QGZVFWFLSA-N 2 0 368.529 3.343 20 0 FGADRP Cc1ncc([C@H](C)[NH2+]CCCN2CC[NH+](Cc3ccccc3)CC2)s1 ZINC000090402403 700402772 /nfs/dbraw/zinc/40/27/72/700402772.db2.gz ZMNOHIZQGGUCSG-KRWDZBQOSA-N 2 0 358.555 3.310 20 0 FGADRP Cc1cc(C[NH2+]CCCN2CCC[N@@H+](C)CC2)cc(C)c1OC(F)F ZINC000105477038 700501395 /nfs/dbraw/zinc/50/13/95/700501395.db2.gz KYIDRQRTKTWQGW-UHFFFAOYSA-N 2 0 355.473 3.022 20 0 FGADRP CC(C)(C)OC(=O)N[C@H]1CCC[C@H]1[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000123404453 700704432 /nfs/dbraw/zinc/70/44/32/700704432.db2.gz BHGFYWPPJCFLOA-MSOLQXFVSA-N 2 0 351.535 3.429 20 0 FGADRP C[C@@H]([NH2+][C@@H]1CCN(c2ccccc2OC(F)F)C1)C1CC[NH+](C)CC1 ZINC000128063141 700770282 /nfs/dbraw/zinc/77/02/82/700770282.db2.gz DAJNDULXDZITAE-GDBMZVCRSA-N 2 0 353.457 3.187 20 0 FGADRP C[C@](O)(C[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1)c1cccs1 ZINC000153019970 704982677 /nfs/dbraw/zinc/98/26/77/704982677.db2.gz XOIZUSNGMNDRPO-FQEVSTJZSA-N 2 0 360.523 3.220 20 0 FGADRP C[C@@H]([NH2+]C[C@H](O)COc1cccc(Cl)c1Cl)C1CC[NH+](C)CC1 ZINC000154293811 705029724 /nfs/dbraw/zinc/02/97/24/705029724.db2.gz IDZLAWPWKLPZRH-OCCSQVGLSA-N 2 0 361.313 3.053 20 0 FGADRP C[NH+](C)C1(C(=O)NC[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)CCC1 ZINC000155607404 705084496 /nfs/dbraw/zinc/08/44/96/705084496.db2.gz PUNCLDIGPLVPIF-PBHICJAKSA-N 2 0 367.896 3.072 20 0 FGADRP C[N@@H+]1CCC[C@@H]2C[NH+](C[C@H]3CCCN(C(=O)OC(C)(C)C)C3)CC[C@H]21 ZINC000158760806 705198551 /nfs/dbraw/zinc/19/85/51/705198551.db2.gz JTHSWZXYSMUMPX-KZNAEPCWSA-N 2 0 351.535 3.050 20 0 FGADRP CCc1nc(CN2CCC(C[NH2+][C@H](C)C3CC[NH+](C)CC3)CC2)cs1 ZINC000161796947 705282909 /nfs/dbraw/zinc/28/29/09/705282909.db2.gz LUMMWVKUVMZTIK-MRXNPFEDSA-N 2 0 364.603 3.237 20 0 FGADRP C[C@H](C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)Oc1ccccc1Br ZINC000166776935 705346146 /nfs/dbraw/zinc/34/61/46/705346146.db2.gz QBVWMGJPTLMJCL-RBSFLKMASA-N 2 0 353.304 3.433 20 0 FGADRP C[C@@H](C[NH2+]CC1CCN(C(=O)OC(C)(C)C)CC1)C[NH+]1CCCCC1 ZINC000177552520 705627735 /nfs/dbraw/zinc/62/77/35/705627735.db2.gz UQQNWFCUMCSZBX-KRWDZBQOSA-N 2 0 353.551 3.345 20 0 FGADRP CCC[NH+]1CCC(N(C)C[C@H](O)c2ccc(F)c(Br)c2)CC1 ZINC000187119028 712733927 /nfs/dbraw/zinc/73/39/27/712733927.db2.gz MYGFECINFSPEKT-KRWDZBQOSA-N 2 0 373.310 3.428 20 0 FGADRP CC1CC[NH+](CCC[NH2+]C[C@@]2(C)CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000195185816 713548325 /nfs/dbraw/zinc/54/83/25/713548325.db2.gz NPCTZLULTVXUND-HXUWFJFHSA-N 2 0 353.551 3.345 20 0 FGADRP C[C@H](C[NH2+][C@@H](C)C[C@H]1CCCN1C(=O)OC(C)(C)C)C[NH+]1CCCC1 ZINC000310514730 713799330 /nfs/dbraw/zinc/79/93/30/713799330.db2.gz XCSBSNKOSFVVDX-FGTMMUONSA-N 2 0 353.551 3.486 20 0 FGADRP CC(C)C[NH+]1CCC([NH2+][C@H]2CCCN(C(=O)OC(C)(C)C)[C@@H]2C)CC1 ZINC000310599803 713799665 /nfs/dbraw/zinc/79/96/65/713799665.db2.gz HXEXCUBFLOAASR-AEFFLSMTSA-N 2 0 353.551 3.484 20 0 FGADRP C[NH+]1CCC(C[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)C3(CCC3)C2)CC1 ZINC000310857619 713801132 /nfs/dbraw/zinc/80/11/32/713801132.db2.gz UKUYIVGXPCMJKJ-QGZVFWFLSA-N 2 0 351.535 3.240 20 0 FGADRP C[C@@]1([NH2+]CCCCC[NH2+][C@@]2(C)CCO[C@@H]2C2CC2)CCO[C@@H]1C1CC1 ZINC000374647461 713936617 /nfs/dbraw/zinc/93/66/17/713936617.db2.gz NPNXNQGGTZHSQR-NCYKPQTJSA-N 2 0 350.547 3.251 20 0 FGADRP CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000378880084 713974972 /nfs/dbraw/zinc/97/49/72/713974972.db2.gz FNDONFDFYIPEKH-XSLAGTTESA-N 2 0 351.535 3.286 20 0 FGADRP CC(C)C[NH+]1CCC([NH2+][C@H]2CC[C@@H](CNC(=O)OC(C)(C)C)C2)CC1 ZINC000382450537 713979944 /nfs/dbraw/zinc/97/99/44/713979944.db2.gz DWVDICYIZBGFGY-AEFFLSMTSA-N 2 0 353.551 3.390 20 0 FGADRP [NH3+][C@@H]1CCC[C@H]([NH2+]Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)C1 ZINC000414935476 714005864 /nfs/dbraw/zinc/00/58/64/714005864.db2.gz YOLXWVBJUTVXFO-SJORKVTESA-N 2 0 352.404 3.310 20 0 FGADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CCc1c[nH]c2ccc(Br)cc12 ZINC000423030131 714013873 /nfs/dbraw/zinc/01/38/73/714013873.db2.gz JDNDTEOXINITKY-MLGOLLRUSA-N 2 0 350.304 3.451 20 0 FGADRP CCCC[NH+]1CCC(NC(=O)NC[C@@H](C2CCCCC2)[NH+](C)C)CC1 ZINC000523351758 714229137 /nfs/dbraw/zinc/22/91/37/714229137.db2.gz HADMNZYGGNUMRH-IBGZPJMESA-N 2 0 352.567 3.061 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)NC[C@H]1CC[N@@H+](C(C)C)C1)c1ccsc1 ZINC000523812589 714254072 /nfs/dbraw/zinc/25/40/72/714254072.db2.gz MFWIVYLLIIEXDK-AEFFLSMTSA-N 2 0 366.575 3.161 20 0 FGADRP Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC000525484662 714356321 /nfs/dbraw/zinc/35/63/21/714356321.db2.gz IYNFOKIQMVYKQL-IRXDYDNUSA-N 2 0 361.555 3.355 20 0 FGADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1cc(C(F)F)ccc1F ZINC000621880862 715032464 /nfs/dbraw/zinc/03/24/64/715032464.db2.gz VZRGWDZGARKPBF-UHFFFAOYSA-N 2 0 359.436 3.109 20 0 FGADRP Brc1ccc2c(c1)OCCC[C@H]2[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000643534963 718038290 /nfs/dbraw/zinc/03/82/90/718038290.db2.gz GSTUFVSAJIRFQX-GDBMZVCRSA-N 2 0 351.288 3.395 20 0 FGADRP Cc1cc(C[NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)ncc1Br ZINC000623424821 715333653 /nfs/dbraw/zinc/33/36/53/715333653.db2.gz GIRYIDQGCQTGJN-GASCZTMLSA-N 2 0 370.335 3.132 20 0 FGADRP C[N@@H+]1CC[C@H](N[C@@H](CCO)c2ccccc2Br)CC1(C)C ZINC000623488153 715346477 /nfs/dbraw/zinc/34/64/77/715346477.db2.gz JVGHGRZQOZDABX-BBRMVZONSA-N 2 0 355.320 3.335 20 0 FGADRP Cc1ccc(Br)cc1[C@@H](C)[NH2+][C@@H](C)CN1CC[NH+](C)CC1 ZINC000623889929 715425360 /nfs/dbraw/zinc/42/53/60/715425360.db2.gz ZOOAAWNMVVNHAW-LSDHHAIUSA-N 2 0 354.336 3.044 20 0 FGADRP C[C@H]([NH2+]C[C@@H]1CCCN1CC(F)F)c1ccc(OCC[NH+](C)C)cc1 ZINC000624095444 715470804 /nfs/dbraw/zinc/47/08/04/715470804.db2.gz DACWCDMJQJWJOQ-RDJZCZTQSA-N 2 0 355.473 3.007 20 0 FGADRP CN(CC[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)CC(F)F ZINC000624326737 715512274 /nfs/dbraw/zinc/51/22/74/715512274.db2.gz SSHLHTLAEQXLSN-IPMKNSEASA-N 2 0 351.485 3.074 20 0 FGADRP CC[NH+]1CCN(CC(C)(C)[NH2+]CCc2cccc(C(F)(F)F)c2)CC1 ZINC000628303313 716136976 /nfs/dbraw/zinc/13/69/76/716136976.db2.gz PHYXAEKMOKEYLF-UHFFFAOYSA-N 2 0 357.464 3.254 20 0 FGADRP CC(C)[C@@H](CCc1ccc(Cl)cc1)[NH2+]Cc1cn([C@H]2CC[NH2+]C2)nn1 ZINC000629552373 716306016 /nfs/dbraw/zinc/30/60/16/716306016.db2.gz IOTGGBHOXBMVAT-RBUKOAKNSA-N 2 0 361.921 3.213 20 0 FGADRP [NH3+]C[C@@H]1C[N@H+](CCC(=O)Nc2cccc(Cl)c2)CC[C@H]1C(F)(F)F ZINC000629565060 716309469 /nfs/dbraw/zinc/30/94/69/716309469.db2.gz USKHWLWCXLNGCL-BXUZGUMPSA-N 2 0 363.811 3.128 20 0 FGADRP CCC1([NH+](C)C)CCN(C(=O)NCCCCC[NH+]2CCCCC2)CC1 ZINC000632996121 716855818 /nfs/dbraw/zinc/85/58/18/716855818.db2.gz WIBPNKCRGMSUTI-UHFFFAOYSA-N 2 0 352.567 3.158 20 0 FGADRP C[NH+](C)CCCCC(=O)N[C@H](C[NH+](C)C)c1cccc(C(F)(F)F)c1 ZINC000633766059 716990213 /nfs/dbraw/zinc/99/02/13/716990213.db2.gz LIJYYOAMKUSELI-MRXNPFEDSA-N 2 0 359.436 3.156 20 0 FGADRP COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000634734096 717111745 /nfs/dbraw/zinc/11/17/45/717111745.db2.gz WPXVYHHWCHGAMC-DZGCQCFKSA-N 2 0 367.921 3.434 20 0 FGADRP C[C@@H]([NH2+]CCCC[NH+]1CCN(C)CC1)c1cc(Cl)c(N)c(Cl)c1 ZINC000774379695 723886589 /nfs/dbraw/zinc/88/65/89/723886589.db2.gz BZPYWAORQOYWKL-CYBMUJFWSA-N 2 0 359.345 3.254 20 0 FGADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]CCc1c2ccccc2[nH]c1C(F)(F)F ZINC000635020844 717140271 /nfs/dbraw/zinc/14/02/71/717140271.db2.gz MPUVVJYOUOMKAR-TUKIKUTGSA-N 2 0 355.404 3.071 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)c1ccccc1Cl ZINC000635188608 717152540 /nfs/dbraw/zinc/15/25/40/717152540.db2.gz OPMBENSRBNNCEF-CRAIPNDOSA-N 2 0 351.922 3.181 20 0 FGADRP C[C@@H](Cc1cccc(Br)c1)[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000638416913 717446039 /nfs/dbraw/zinc/44/60/39/717446039.db2.gz BBEXZTPKRSIPEA-AWEZNQCLSA-N 2 0 369.347 3.205 20 0 FGADRP C[NH+](C)C[C@H](NC(=O)CC[C@@H]1CC[NH2+]C1)c1ccc(Cl)c(Cl)c1 ZINC000638663067 717473221 /nfs/dbraw/zinc/47/32/21/717473221.db2.gz FEEXJPGWEVRLHS-WBMJQRKESA-N 2 0 358.313 3.102 20 0 FGADRP C[C@@H](OC[C@H](O)C[N@@H+]1CCC2(C1)CC[NH+](C)CC2)c1ccc(Cl)cc1 ZINC000639759801 717599664 /nfs/dbraw/zinc/59/96/64/717599664.db2.gz JWLRXZDDVAMEPZ-VQIMIIECSA-N 2 0 366.933 3.196 20 0 FGADRP O=C(CC[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)Nc1cccc(C(F)(F)F)c1 ZINC000644531806 718120073 /nfs/dbraw/zinc/12/00/73/718120073.db2.gz OXIOPQJIOYBYEM-ZDUSSCGKSA-N 2 0 355.404 3.108 20 0 FGADRP CCCN(C(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C)[C@@H]1CC[N@H+](C)C1 ZINC000645339365 718203685 /nfs/dbraw/zinc/20/36/85/718203685.db2.gz PXBTYXYDUACRNY-MSOLQXFVSA-N 2 0 366.937 3.068 20 0 FGADRP Brc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[C@@H]3C[NH2+]C[C@H]3C1)CCO2 ZINC000647550742 718367133 /nfs/dbraw/zinc/36/71/33/718367133.db2.gz FOGYCMIHLNTJLI-ZNEHSRBWSA-N 2 0 351.288 3.250 20 0 FGADRP c1ccc2sc(N3CCC([NH2+][C@@H]4CC[C@H]5C[NH2+]C[C@@H]5C4)CC3)nc2c1 ZINC000647792322 718377928 /nfs/dbraw/zinc/37/79/28/718377928.db2.gz ZEZUJOMCGOGGDR-YQQAZPJKSA-N 2 0 356.539 3.243 20 0 FGADRP CN(C)[C@H](C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)c1cccc(C(F)(F)F)c1 ZINC000647795223 718377957 /nfs/dbraw/zinc/37/79/57/718377957.db2.gz LEONKGZSAIZNCR-BURFUSLBSA-N 2 0 355.448 3.286 20 0 FGADRP FC(F)Oc1ccc([C@H]2C[N@H+](CCCC3CC[NH2+]CC3)CCO2)cc1 ZINC000647988535 718392988 /nfs/dbraw/zinc/39/29/88/718392988.db2.gz YVKYOAPVVDOZCB-GOSISDBHSA-N 2 0 354.441 3.441 20 0 FGADRP C[N@@H+]1CC[C@@H](CNC(=O)CCC(C)(C)[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000648161494 718402290 /nfs/dbraw/zinc/40/22/90/718402290.db2.gz CPAKHHZFZBHXEY-GUYCJALGSA-N 2 0 355.885 3.106 20 0 FGADRP CN(CCC[NH+](C)C)C(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000650416086 718674280 /nfs/dbraw/zinc/67/42/80/718674280.db2.gz SQYRFFKYDTZOFV-UHFFFAOYSA-N 2 0 364.559 3.290 20 0 FGADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@H+](Cc3ccccc3Br)C2)C1 ZINC000650705716 718717087 /nfs/dbraw/zinc/71/70/87/718717087.db2.gz STXRKIDVAWZLNX-BFYDXBDKSA-N 2 0 353.304 3.167 20 0 FGADRP [NH3+]CC1(CC[NH2+]Cc2ccc(Br)c(Br)c2)CC1 ZINC000650712707 718718761 /nfs/dbraw/zinc/71/87/61/718718761.db2.gz QRAYTNVRJQJTDJ-UHFFFAOYSA-N 2 0 362.109 3.430 20 0 FGADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@@H+]2Cc2ccc(OC(F)F)c(F)c2)C1 ZINC000650722813 718720670 /nfs/dbraw/zinc/72/06/70/718720670.db2.gz BTPRSTYSBYDQJM-FRFSOERESA-N 2 0 358.404 3.288 20 0 FGADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@@H+]2Cc2cccc(O)c2Br)C1 ZINC000650725291 718721147 /nfs/dbraw/zinc/72/11/47/718721147.db2.gz XQGSKZXEDANDLL-IIAWOOMASA-N 2 0 369.303 3.016 20 0 FGADRP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H](CC)c2cc(OC)c(OC)c(OC)c2)C1 ZINC000652143235 718916636 /nfs/dbraw/zinc/91/66/36/718916636.db2.gz SRSMCZBIZFEJKX-DOTOQJQBSA-N 2 0 350.503 3.485 20 0 FGADRP CSc1ccc(OCC[N@@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)cc1 ZINC000652348512 718935158 /nfs/dbraw/zinc/93/51/58/718935158.db2.gz GZLYHGVSGLYRSQ-FCEWJHQRSA-N 2 0 350.528 3.006 20 0 FGADRP C[C@@H]1CCC[N@H+](CCC(=O)Nc2ccccc2Br)[C@@H]1CC[NH3+] ZINC000652354443 718936431 /nfs/dbraw/zinc/93/64/31/718936431.db2.gz YRIMNLNEYHOFDN-CZUORRHYSA-N 2 0 368.319 3.227 20 0 FGADRP [NH3+][C@H]1CCC[C@@H](NC(=O)Nc2ccc(SCC[NH+]3CCCC3)cc2)C1 ZINC000652613941 718966398 /nfs/dbraw/zinc/96/63/98/718966398.db2.gz ILHWAPPPGFFVGI-DOTOQJQBSA-N 2 0 362.543 3.266 20 0 FGADRP C[C@@H](CCC[NH3+])NC(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000652614233 718966952 /nfs/dbraw/zinc/96/69/52/718966952.db2.gz SCZOHSYKSAXCCN-HNNXBMFYSA-N 2 0 350.532 3.123 20 0 FGADRP CC1CC[NH+]([C@H](CNC(=O)[C@@H]2C[C@@]23CCC[NH2+]C3)c2cccs2)CC1 ZINC000655442696 719293717 /nfs/dbraw/zinc/29/37/17/719293717.db2.gz VXJGJEPDIXHVRR-SQGPQFPESA-N 2 0 361.555 3.027 20 0 FGADRP Fc1ccc(F)c2c1CC[C@@H]2[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000656675951 719440321 /nfs/dbraw/zinc/44/03/21/719440321.db2.gz FCIWSTIYZGIFTL-IBGZPJMESA-N 2 0 350.453 3.433 20 0 FGADRP C(CCCC[NH+]1C[C@H]2CC[C@@H](C1)O2)CCCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000781898466 724608852 /nfs/dbraw/zinc/60/88/52/724608852.db2.gz LIFDVWGLNICLOU-FXELSEDVSA-N 2 0 350.547 3.444 20 0 FGADRP CC[C@@H]1C[N@H+](CCC[NH+]2CCCCC2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000781903692 724609969 /nfs/dbraw/zinc/60/99/69/724609969.db2.gz HEWCMBNPTUCJKV-MSOLQXFVSA-N 2 0 353.551 3.488 20 0 FGADRP C[C@@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)c1cc2ccncc2s1 ZINC000657936390 719734165 /nfs/dbraw/zinc/73/41/65/719734165.db2.gz QKOJKEVTDIZMCQ-CQSZACIVSA-N 2 0 356.495 3.483 20 0 FGADRP C([NH2+]C1CCC2(CCOCC2)CC1)C1CC[NH+](C2CCOCC2)CC1 ZINC000658067746 719750544 /nfs/dbraw/zinc/75/05/44/719750544.db2.gz QBVKSBOQXRAVRU-UHFFFAOYSA-N 2 0 350.547 3.206 20 0 FGADRP CC(C)[C@H]([NH3+])CCNC(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000659433395 719913368 /nfs/dbraw/zinc/91/33/68/719913368.db2.gz CYVJQBFFDDVDIH-MSOLQXFVSA-N 2 0 366.937 3.150 20 0 FGADRP CC[NH+](CC)CCN(Cc1ccc(Cl)cc1)C(=O)NCC1([NH3+])CCC1 ZINC000659528194 719923256 /nfs/dbraw/zinc/92/32/56/719923256.db2.gz BDUGMOVUUWCFRY-UHFFFAOYSA-N 2 0 366.937 3.075 20 0 FGADRP C[C@@H]1CN(CC[NH+]2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)C[C@H](C)O1 ZINC000660007124 719971118 /nfs/dbraw/zinc/97/11/18/719971118.db2.gz HFRZQOYEGWPHRA-AQNXPRMDSA-N 2 0 351.579 3.072 20 0 FGADRP COc1cccc(C[NH+]2CCC(C)(C[NH+]3CCN(C)CC3)CC2)c1Cl ZINC000660276185 720023405 /nfs/dbraw/zinc/02/34/05/720023405.db2.gz OOESCOUXEOJBCJ-UHFFFAOYSA-N 2 0 365.949 3.198 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C)c1ccsc1 ZINC000660338946 720032935 /nfs/dbraw/zinc/03/29/35/720032935.db2.gz NSTJUPUPRLRRHR-DLBZAZTESA-N 2 0 366.575 3.303 20 0 FGADRP C[NH+](C)[C@H](CNC(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1)c1ccc(Cl)cc1 ZINC000661505141 720266654 /nfs/dbraw/zinc/26/66/54/720266654.db2.gz KFXWSLJLWXMHQK-IAGOWNOFSA-N 2 0 366.937 3.115 20 0 FGADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@H+](Cc3cccc(F)c3OC(F)F)C2)C1 ZINC000662284212 720410072 /nfs/dbraw/zinc/41/00/72/720410072.db2.gz GDZMNCSZPLFJHM-XPKDYRNWSA-N 2 0 358.404 3.145 20 0 FGADRP C[NH+](C)[C@@H](CNC(=O)C[C@H]1[NH2+]Cc2ccccc21)c1ccc(Cl)cc1 ZINC000662487118 720434116 /nfs/dbraw/zinc/43/41/16/720434116.db2.gz QDCHIQOELMUCPQ-MOPGFXCFSA-N 2 0 357.885 3.294 20 0 FGADRP C[C@@](O)(C[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2)C(F)(F)F ZINC000663368263 720506449 /nfs/dbraw/zinc/50/64/49/720506449.db2.gz CFJSLHOCCHPZSP-IAGOWNOFSA-N 2 0 356.432 3.192 20 0 FGADRP C[C@@H](CCNC(=O)NC[C@@H](c1cccs1)[NH+]1CCC(C)CC1)[NH+](C)C ZINC000663444955 720514984 /nfs/dbraw/zinc/51/49/84/720514984.db2.gz NDOJQHWPRRHHDB-IRXDYDNUSA-N 2 0 366.575 3.161 20 0 FGADRP C[C@H](CCNC(=O)NC[C@@H](c1cccs1)[NH+]1CCC(C)CC1)[NH+](C)C ZINC000663444957 720515044 /nfs/dbraw/zinc/51/50/44/720515044.db2.gz NDOJQHWPRRHHDB-SJORKVTESA-N 2 0 366.575 3.161 20 0 FGADRP C[C@H](CCNC(=O)NC[C@H](c1cccs1)[NH+]1CCC(C)CC1)[NH+](C)C ZINC000663444953 720515061 /nfs/dbraw/zinc/51/50/61/720515061.db2.gz NDOJQHWPRRHHDB-IAGOWNOFSA-N 2 0 366.575 3.161 20 0 FGADRP CN1CC[C@](O)(C[NH2+][C@H]2CCCSc3ccc(Br)cc32)C1 ZINC000663448522 720515621 /nfs/dbraw/zinc/51/56/21/720515621.db2.gz ZPRDVBHUKCEUFO-HOCLYGCPSA-N 2 0 371.344 3.032 20 0 FGADRP CC(C)(C)[N@@H+]1CC[C@H](NC(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)C1 ZINC000663450622 720515920 /nfs/dbraw/zinc/51/59/20/720515920.db2.gz KGEHIUPHVINNFJ-HOTGVXAUSA-N 2 0 364.559 3.057 20 0 FGADRP C[NH2+]CCCC(=O)N1CCC([NH2+]Cc2c(C)cc(Cl)cc2C)CC1 ZINC000663503194 720520338 /nfs/dbraw/zinc/52/03/38/720520338.db2.gz GTJFSBYQGYIWHB-UHFFFAOYSA-N 2 0 351.922 3.037 20 0 FGADRP CCC[N@H+](C)CC(C)(C)NC(=O)N[C@H](C)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000664627182 720668017 /nfs/dbraw/zinc/66/80/17/720668017.db2.gz USOBDLMDXVLSQW-SJORKVTESA-N 2 0 352.567 3.059 20 0 FGADRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000665253173 720747442 /nfs/dbraw/zinc/74/74/42/720747442.db2.gz JCXFGWRNXWHHFN-UJAMICLKSA-N 2 0 351.485 3.311 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)N[C@@H]1CCC[NH2+]CC1)c1ccccc1Cl ZINC000668649592 721326532 /nfs/dbraw/zinc/32/65/32/721326532.db2.gz WJJVBMBRCZEJEG-QAPCUYQASA-N 2 0 366.937 3.164 20 0 FGADRP CN(C)c1cc[nH+]c(N2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)c1 ZINC001164792236 721494644 /nfs/dbraw/zinc/49/46/44/721494644.db2.gz KZPBBOXDKBZVQQ-UHFFFAOYSA-N 2 0 365.525 3.424 20 0 FGADRP COc1cc(Br)ccc1C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000671761354 721612639 /nfs/dbraw/zinc/61/26/39/721612639.db2.gz XCYKEEKYHBJRCR-XHSDSOJGSA-N 2 0 353.304 3.420 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@H](CO)c2ccc(Cl)cc2)[C@H](C)C1 ZINC000672620772 721639388 /nfs/dbraw/zinc/63/93/88/721639388.db2.gz RNUDOZGSMZTFND-KPFFTGBYSA-N 2 0 368.949 3.143 20 0 FGADRP Cc1c[nH+]c(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)cc1N ZINC001164908944 721722191 /nfs/dbraw/zinc/72/21/91/721722191.db2.gz ZUNIWZQXVXVYKD-IBGZPJMESA-N 2 0 373.451 3.105 20 0 FGADRP CCCC[N@H+](C)CC1CCN(C(=O)N[C@@H](CC)C[NH+]2CCCC2)CC1 ZINC000675193386 721737161 /nfs/dbraw/zinc/73/71/61/721737161.db2.gz GXGOZEJAVNUGSY-IBGZPJMESA-N 2 0 352.567 3.014 20 0 FGADRP CCC[NH+]1CCC([NH2+][C@@H]2CCN(c3ccccc3Br)C2)CC1 ZINC000675733731 721771199 /nfs/dbraw/zinc/77/11/99/721771199.db2.gz KQVJPSDPPNMXCF-MRXNPFEDSA-N 2 0 366.347 3.492 20 0 FGADRP C[NH+]1CCC(N2CC[C@@H]([NH2+][C@@H]3CCCOc4ccc(Cl)cc43)C2)CC1 ZINC000675875685 721777212 /nfs/dbraw/zinc/77/72/12/721777212.db2.gz WOMYIGCDRGHRLW-VQIMIIECSA-N 2 0 363.933 3.312 20 0 FGADRP Cc1csc(CC[NH2+]Cc2c(Cl)cccc2N2CC[NH+](C)CC2)n1 ZINC000678359128 721954795 /nfs/dbraw/zinc/95/47/95/721954795.db2.gz KRPCLVMOXCVHGG-UHFFFAOYSA-N 2 0 364.946 3.189 20 0 FGADRP CC[NH+]1CCC(C[NH2+][C@@H](c2ccc(Cl)cc2)[C@H]2CN(C)CCO2)CC1 ZINC000681053652 722176873 /nfs/dbraw/zinc/17/68/73/722176873.db2.gz ZBIGAFGLGMDPCN-UXHICEINSA-N 2 0 365.949 3.033 20 0 FGADRP CO[C@@]1(C(F)(F)F)CCC[N@H+](Cc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000682166416 722239995 /nfs/dbraw/zinc/23/99/95/722239995.db2.gz GXVQSXVEENCIEX-KRWDZBQOSA-N 2 0 360.420 3.170 20 0 FGADRP Cc1nc2ccc(C[N@@H+](C)[C@@H]3CCN(C4CC[NH+](C)CC4)C3)cc2s1 ZINC000685457355 722385858 /nfs/dbraw/zinc/38/58/58/722385858.db2.gz BFIJZDWHYCKMGQ-GOSISDBHSA-N 2 0 358.555 3.205 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=S)N[C@H](C)c1cccs1 ZINC000726489988 722435549 /nfs/dbraw/zinc/43/55/49/722435549.db2.gz GTNFNKYGKMAGJJ-CVEARBPZSA-N 2 0 368.616 3.032 20 0 FGADRP CC[N@@H+]1CCC[C@@H](C[NH2+]CCC2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000727469576 722444894 /nfs/dbraw/zinc/44/48/94/722444894.db2.gz ZMSSIPVBUDOZHH-SFHVURJKSA-N 2 0 353.551 3.345 20 0 FGADRP O[C@@H](CN1CCC[C@H](Oc2ccc(Cl)c(Cl)c2)C1)C[NH+]1CCCC1 ZINC000753388222 722897108 /nfs/dbraw/zinc/89/71/08/722897108.db2.gz JVSORFZZJPMJHT-ZBFHGGJFSA-N 2 0 373.324 3.293 20 0 FGADRP COc1ccc([C@H](C)[NH2+][C@H](CO)CC(F)F)cc1C[NH+]1CCCCC1 ZINC000760036229 723034834 /nfs/dbraw/zinc/03/48/34/723034834.db2.gz DKSZDSOCOXIZNG-YOEHRIQHSA-N 2 0 356.457 3.348 20 0 FGADRP C[NH+](C)CCOc1ccc(C[NH2+]C[C@@](C)(O)c2cccc(Cl)c2)cc1 ZINC000764981376 723465559 /nfs/dbraw/zinc/46/55/59/723465559.db2.gz XWJMOFOVEXHVSP-HXUWFJFHSA-N 2 0 362.901 3.278 20 0 FGADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]C[C@](C)(O)c1cccc(Cl)c1 ZINC000764984373 723465993 /nfs/dbraw/zinc/46/59/93/723465993.db2.gz VBVKJRFJCQIQLH-IBGZPJMESA-N 2 0 356.857 3.226 20 0 FGADRP CCC[NH+]1CCC(C[NH2+]Cc2c(C)nn(-c3ccccn3)c2Cl)CC1 ZINC000796285051 723630305 /nfs/dbraw/zinc/63/03/05/723630305.db2.gz PPTVGMMWJKCFJF-UHFFFAOYSA-N 2 0 361.921 3.441 20 0 FGADRP CC(C)(C)SCC[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000796384827 723635678 /nfs/dbraw/zinc/63/56/78/723635678.db2.gz PNNLVJAPLAJNMA-HXUWFJFHSA-N 2 0 361.599 3.410 20 0 FGADRP Cc1cc(C[NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)cc(Cl)n1 ZINC000797594930 723839451 /nfs/dbraw/zinc/83/94/51/723839451.db2.gz YGAZLOPJIQMYBD-UHFFFAOYSA-N 2 0 359.901 3.290 20 0 FGADRP CC[S@@](=O)CC[NH2+][C@H](C)c1ccc(OC)c(C[NH+]2CCCCC2)c1 ZINC000775389864 723987863 /nfs/dbraw/zinc/98/78/63/723987863.db2.gz ZIFCYGDRPLZOKV-VOIUYBSRSA-N 2 0 352.544 3.100 20 0 FGADRP C[C@H](C(=O)Nc1ccc(F)c(F)c1)[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000799177053 723995306 /nfs/dbraw/zinc/99/53/06/723995306.db2.gz JFOFBYZVXVMWSS-CQSZACIVSA-N 2 0 351.441 3.100 20 0 FGADRP C[C@H]1C[C@H](C)C[NH+](CCCC[NH2+]Cc2ncc(C3OCCO3)s2)C1 ZINC000809606564 725251857 /nfs/dbraw/zinc/25/18/57/725251857.db2.gz WWNLIQYIUXQXLH-GJZGRUSLSA-N 2 0 353.532 3.036 20 0 FGADRP CSC1(C[NH2+][C@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2C)CC[NH+](C)CC1 ZINC000810253375 725300295 /nfs/dbraw/zinc/30/02/95/725300295.db2.gz SJPCSUMTQYPDNO-HOTGVXAUSA-N 2 0 371.591 3.049 20 0 FGADRP C[NH+](C)[C@@H](CNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1)c1ccc(Cl)cc1 ZINC000810465275 725309241 /nfs/dbraw/zinc/30/92/41/725309241.db2.gz KWAIOOIRIFTGBN-LPHOPBHVSA-N 2 0 369.912 3.271 20 0 FGADRP C[NH+]1CCN(c2cc[nH+]cc2NCc2ccnc(Cl)c2Cl)CC1 ZINC000811485343 725368799 /nfs/dbraw/zinc/36/87/99/725368799.db2.gz FOZVFUDOZOLNFM-UHFFFAOYSA-N 2 0 352.269 3.147 20 0 FGADRP C[C@@H]([NH2+]C1CCC([NH+]2CCN(C(=O)OC(C)(C)C)CC2)CC1)C1CC1 ZINC000812744162 726807226 /nfs/dbraw/zinc/80/72/26/726807226.db2.gz CNIKGZSDWUYGKV-FAEJEUNOSA-N 2 0 351.535 3.238 20 0 FGADRP [NH3+][C@@H]1C[C@H]([NH2+]C[C@@H](O)c2ccc(OC(F)(F)F)cc2)c2ccccc21 ZINC000817901096 727287460 /nfs/dbraw/zinc/28/74/60/727287460.db2.gz SHHZVPYJJDQVDK-IXDOHACOSA-N 2 0 352.356 3.353 20 0 FGADRP C[C@@](O)(C[NH2+]C1CCN(C2CC2)CC1)c1ccc(Br)cc1F ZINC000818945636 727328867 /nfs/dbraw/zinc/32/88/67/727328867.db2.gz MSZUZIYJTHANCY-QGZVFWFLSA-N 2 0 371.294 3.012 20 0 FGADRP CCCC[NH+]1CCC([NH2+]C[C@H](O)c2ccc(OC(F)(F)F)cc2)CC1 ZINC000819043133 727341326 /nfs/dbraw/zinc/34/13/26/727341326.db2.gz PRWSWCUNGKGJQJ-KRWDZBQOSA-N 2 0 360.420 3.473 20 0 FGADRP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+]C[C@@H](O)c2ccccc2Br)C1 ZINC000819181791 727355468 /nfs/dbraw/zinc/35/54/68/727355468.db2.gz BAWMKILPXJPTKS-MAUKXSAKSA-N 2 0 369.347 3.440 20 0 FGADRP CC(C)(C)OC(=O)N[C@@H]1C[C@@H]([NH2+]C2CC[NH+](CC3CC3)CC2)C1(C)C ZINC000822489835 729180933 /nfs/dbraw/zinc/18/09/33/729180933.db2.gz KTJFGYKTSADFPM-IAGOWNOFSA-N 2 0 351.535 3.142 20 0 FGADRP C[N@H+](CC[C@@H]1CC1(Cl)Cl)C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000822882594 729228204 /nfs/dbraw/zinc/22/82/04/729228204.db2.gz KQTJZSBVYPHDQA-SJORKVTESA-N 2 0 357.325 3.139 20 0 FGADRP CC(C)[C@@H](CNC(=O)OC(C)(C)C)C[NH2+]C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000823818570 729306594 /nfs/dbraw/zinc/30/65/94/729306594.db2.gz IDKUGTHSHPXXQS-QZTJIDSGSA-N 2 0 355.567 3.493 20 0 FGADRP C[C@@H]1C[C@@H](C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)CCN1C(=O)OC(C)(C)C ZINC000824428555 729337664 /nfs/dbraw/zinc/33/76/64/729337664.db2.gz TXBRQKUDCBQSPK-UWVAXJGDSA-N 2 0 351.535 3.050 20 0 FGADRP C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+]CCC[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000824991837 729366895 /nfs/dbraw/zinc/36/68/95/729366895.db2.gz AHHZGJXRDZEQAG-NJAFHUGGSA-N 2 0 351.535 3.238 20 0 FGADRP CC(C)(C)OC(=O)N1CCC[C@@H]1CCC[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000824993116 729367040 /nfs/dbraw/zinc/36/70/40/729367040.db2.gz NUEOFTYUUZFXDX-SQNIBIBYSA-N 2 0 351.535 3.383 20 0 FGADRP CC(C)(C)OC(=O)N1CCC[C@@H]1CCC[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000824993113 729367188 /nfs/dbraw/zinc/36/71/88/729367188.db2.gz NUEOFTYUUZFXDX-BZSNNMDCSA-N 2 0 351.535 3.383 20 0 FGADRP Cc1cc([C@H]([NH3+])CC(=O)NC[C@]2([NH+](C)C)CCC[C@@H](C)C2)cc(Cl)n1 ZINC000827528807 729431353 /nfs/dbraw/zinc/43/13/53/729431353.db2.gz ALCOGCOWHNEUNA-NRXGSXMXSA-N 2 0 366.937 3.060 20 0 FGADRP CC[NH+](CC)CC1CC[NH+](C[C@H]2CN(C3CCCCC3)C(=O)O2)CC1 ZINC000827785340 729434792 /nfs/dbraw/zinc/43/47/92/729434792.db2.gz BKFFHKPEILSBHG-IBGZPJMESA-N 2 0 351.535 3.194 20 0 FGADRP Cc1cc([C@H]([NH3+])CC(=O)NCCCCC[NH+]2CCCCC2)cc(Cl)n1 ZINC000829268653 729470490 /nfs/dbraw/zinc/47/04/90/729470490.db2.gz AFBWDLDGKAONAO-QGZVFWFLSA-N 2 0 366.937 3.206 20 0 FGADRP CC1(C)[C@H](O)CC[N@@H+]1Cc1cc(Cl)cc(C[NH+]2CC[C@H](O)C2(C)C)c1 ZINC000829973736 729526826 /nfs/dbraw/zinc/52/68/26/729526826.db2.gz KJTLKZSUHGFASP-HDICACEKSA-N 2 0 366.933 3.030 20 0 FGADRP C[C@@](O)(C[NH2+]CCC[NH+]1CCCCC1)c1ccc(Br)cc1F ZINC000834353034 729795692 /nfs/dbraw/zinc/79/56/92/729795692.db2.gz AYIMSAXRTNDJOV-QGZVFWFLSA-N 2 0 373.310 3.261 20 0 FGADRP Cc1nn(Cc2ccccc2)c(Cl)c1CN1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000843058978 730574946 /nfs/dbraw/zinc/57/49/46/730574946.db2.gz BDKHQAJVCSKSJY-QXAKKESOSA-N 2 0 358.917 3.452 20 0 FGADRP C[C@@H](NC(=O)C[N@H+](C)C1CCC([NH3+])CC1)c1ccc(Cl)c(Cl)c1 ZINC000843353588 730609867 /nfs/dbraw/zinc/60/98/67/730609867.db2.gz CPUMGQWWMRIEAA-LMWSTFAQSA-N 2 0 358.313 3.372 20 0 FGADRP C[N@H+](CC(=O)Nc1nc(-c2ccc(F)cc2)cs1)C1CCC([NH3+])CC1 ZINC000843355556 730609955 /nfs/dbraw/zinc/60/99/55/730609955.db2.gz VNUDQROXMLPBAM-UHFFFAOYSA-N 2 0 362.474 3.089 20 0 FGADRP C[C@@H]1C[C@@H](C)C[NH+](CCCC[NH2+]Cc2c3c(nn2C)CCSC3)C1 ZINC000882892794 737502131 /nfs/dbraw/zinc/50/21/31/737502131.db2.gz GAQAMAMIFQTPPZ-HZPDHXFCSA-N 2 0 350.576 3.057 20 0 FGADRP CCOC(=O)NC1CCC([NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)CC1 ZINC000850456626 731358862 /nfs/dbraw/zinc/35/88/62/731358862.db2.gz ASXFINDMZTWGOE-KNXWPPODSA-N 2 0 351.535 3.286 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@]12OCCC[C@H]1C2(F)F ZINC000850534303 731370031 /nfs/dbraw/zinc/37/00/31/731370031.db2.gz LJASAKXJZBJTKH-LULLPPNCSA-N 2 0 350.453 3.301 20 0 FGADRP O=C(C=C1CC[NH2+]CC1)NC[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1 ZINC000852866682 731641839 /nfs/dbraw/zinc/64/18/39/731641839.db2.gz KNWLFFDQQUFVSX-IBGZPJMESA-N 2 0 361.917 3.121 20 0 FGADRP C[C@H]([NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000858119583 732182418 /nfs/dbraw/zinc/18/24/18/732182418.db2.gz PISIPXVCVHODFH-GVDBMIGSSA-N 2 0 353.551 3.484 20 0 FGADRP Cc1cc(C[NH2+]CCCC[N@@H+]2CCC[C@H]2CO)c(Br)cc1F ZINC000858133269 732183927 /nfs/dbraw/zinc/18/39/27/732183927.db2.gz MSMYVIXUMGCBIR-HNNXBMFYSA-N 2 0 373.310 3.223 20 0 FGADRP C[N@@H+]1CC[C@H]([NH2+][C@@H]2C[C@@H](NC(=O)OC(C)(C)C)C23CCC3)CC1(C)C ZINC000858183356 732190282 /nfs/dbraw/zinc/19/02/82/732190282.db2.gz CTHPKMVGLSJHCX-ARFHVFGLSA-N 2 0 351.535 3.285 20 0 FGADRP CCC[NH+]1CCC([NH2+]C[C@H]2CC(F)(F)CN2C(=O)OC(C)(C)C)CC1 ZINC000862294245 732806491 /nfs/dbraw/zinc/80/64/91/732806491.db2.gz DLVIUQJGCKIQKX-OAHLLOKOSA-N 2 0 361.477 3.095 20 0 FGADRP Cc1ccc2sc(C(=O)N3C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C3)cc2c1 ZINC000870018589 733801974 /nfs/dbraw/zinc/80/19/74/733801974.db2.gz SIDNVYVNWNDWBD-IAGOWNOFSA-N 2 0 359.539 3.021 20 0 FGADRP CC[NH+](CC)CCC[C@H](C)NC(=O)[C@H]([NH3+])c1cccc(Br)c1 ZINC000870914462 733901851 /nfs/dbraw/zinc/90/18/51/733901851.db2.gz SICITPNHKYAUIK-XJKSGUPXSA-N 2 0 370.335 3.076 20 0 FGADRP CC(C)CN(CC1CC[NH+](C)CC1)Cn1nc(C(C)C)n(C)c1=S ZINC000872743401 735670083 /nfs/dbraw/zinc/67/00/83/735670083.db2.gz BMLHLCRNOVTREV-UHFFFAOYSA-N 2 0 353.580 3.332 20 0 FGADRP C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@@H](C)C1CC[NH2+]CC1 ZINC000873219697 735739138 /nfs/dbraw/zinc/73/91/38/735739138.db2.gz FFSCWGXKDQEDLP-OLZOCXBDSA-N 2 0 368.319 3.144 20 0 FGADRP OCC[C@H]([NH2+]Cc1cc2c(s1)CC[NH2+]C2)c1ccc(Cl)c(F)c1 ZINC000873216972 735739224 /nfs/dbraw/zinc/73/92/24/735739224.db2.gz ZKQKXIBURIHUAN-INIZCTEOSA-N 2 0 354.878 3.400 20 0 FGADRP C[C@H]([NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2)c1cccc(Br)c1 ZINC000873290043 735747102 /nfs/dbraw/zinc/74/71/02/735747102.db2.gz NNPSSLDYIAKVQF-BBRMVZONSA-N 2 0 353.304 3.258 20 0 FGADRP C[C@@H]([NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2)c1cc(Br)cs1 ZINC000873293820 735747656 /nfs/dbraw/zinc/74/76/56/735747656.db2.gz PPUWRYAMGQXJFX-DGCLKSJQSA-N 2 0 359.333 3.320 20 0 FGADRP COC(=O)c1ccc(C[NH+]2CCC(C[NH+](C)C)CC2)cc1Br ZINC000876576842 736116180 /nfs/dbraw/zinc/11/61/80/736116180.db2.gz ROVLQQHATIEJGG-UHFFFAOYSA-N 2 0 369.303 3.009 20 0 FGADRP C[NH+](C)Cc1cccc(NC(=O)[C@@H]([NH3+])c2cccc(C(F)(F)F)c2)c1 ZINC000876725084 736136509 /nfs/dbraw/zinc/13/65/09/736136509.db2.gz DRTYWDTZWMWFOR-INIZCTEOSA-N 2 0 351.372 3.406 20 0 FGADRP O[C@@H]1CCC[C@H]1[NH+]1CCC([NH2+]Cc2cc3nc(Cl)ccc3s2)CC1 ZINC000877090887 736186549 /nfs/dbraw/zinc/18/65/49/736186549.db2.gz XRBNVLPFTYWOSU-HZPDHXFCSA-N 2 0 365.930 3.417 20 0 FGADRP C[N@@H+]1CC[C@@H]2C[NH+](C[C@H]3CCCCN(C(=O)OC(C)(C)C)C3)CC[C@@H]21 ZINC000877740286 736712349 /nfs/dbraw/zinc/71/23/49/736712349.db2.gz JXAQZTAHEVKAHM-KURKYZTESA-N 2 0 351.535 3.050 20 0 FGADRP c1sc(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)nc1-c1ccncc1 ZINC000877808059 736725809 /nfs/dbraw/zinc/72/58/09/736725809.db2.gz HNMCZPVYCGNQKR-UHFFFAOYSA-N 2 0 351.479 3.359 20 0 FGADRP CN1CCC([NH+]2CCC(CC[N@H+](C)CCCOC(F)(F)F)CC2)CC1 ZINC000878174498 736784511 /nfs/dbraw/zinc/78/45/11/736784511.db2.gz QDKVSNFPQLUSEM-UHFFFAOYSA-N 2 0 365.484 3.041 20 0 FGADRP CC(C)[C@@H]([NH3+])C(C)(C)C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000884203134 737642583 /nfs/dbraw/zinc/64/25/83/737642583.db2.gz POVKDZPZRBNOQG-DOTOQJQBSA-N 2 0 351.560 3.086 20 0 FGADRP CC(C)[C@H]([NH3+])C(C)(C)C(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000884226547 737644923 /nfs/dbraw/zinc/64/49/23/737644923.db2.gz WGHBRFDJRBJJMI-PVAVHDDUSA-N 2 0 351.560 3.257 20 0 FGADRP COC(=O)c1nc(C[NH2+]C2CCC(C)([NH+]3CCCC3)CC2)ccc1Cl ZINC000886636225 739277871 /nfs/dbraw/zinc/27/78/71/739277871.db2.gz IRYXVWIRFDRVDL-UHFFFAOYSA-N 2 0 365.905 3.408 20 0 FGADRP CC(C)(C)[C@@]1(C[NH3+])CCN(C(=O)NCCCCC[NH+]2CCCCC2)C1 ZINC000891577415 739916630 /nfs/dbraw/zinc/91/66/30/739916630.db2.gz RZFOKMAJZHQFKN-HXUWFJFHSA-N 2 0 352.567 3.049 20 0 FGADRP C[N@@H+]1CCC[C@H](CNC(=O)N2CCCCC[C@@H]([NH3+])C2)[C@@H]1c1cccs1 ZINC000891596622 739919322 /nfs/dbraw/zinc/91/93/22/739919322.db2.gz DOUVYEREMGIGHH-JFIYKMOQSA-N 2 0 364.559 3.044 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N1CCC([NH2+]C2CCC2)CC1)CC(C)C ZINC000891755443 739933529 /nfs/dbraw/zinc/93/35/29/739933529.db2.gz WJJMFIKRERXQET-IBGZPJMESA-N 2 0 352.567 3.059 20 0 FGADRP CC1CC[NH+](C2CCC([NH2+][C@H]3CCC4(C[C@H]3F)OCCO4)CC2)CC1 ZINC000893187656 742121481 /nfs/dbraw/zinc/12/14/81/742121481.db2.gz SKXRLBQKNJZYLI-GMNCBBECSA-N 2 0 354.510 3.253 20 0 FGADRP CN1CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000893209589 742124746 /nfs/dbraw/zinc/12/47/46/742124746.db2.gz LIBLQPIGLKCNRT-OJDXAPKPSA-N 2 0 351.897 3.439 20 0 FGADRP OC[C@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+]Cc1cc(O)cc(Cl)c1 ZINC000893487247 742160923 /nfs/dbraw/zinc/16/09/23/742160923.db2.gz LNJIZFJWJPPMDV-LJQANCHMSA-N 2 0 360.885 3.292 20 0 FGADRP CCCC[N@H+](C)CC1CC[NH+](Cc2c3c(nn2C)CCSC3)CC1 ZINC000893940161 742216759 /nfs/dbraw/zinc/21/67/59/742216759.db2.gz JZIHNHQWBDHQPI-UHFFFAOYSA-N 2 0 350.576 3.153 20 0 FGADRP C[N@@H+]1CCCN(CCC[NH2+]Cc2cc3ccnc(Cl)c3s2)CC1 ZINC000894375515 742274781 /nfs/dbraw/zinc/27/47/81/742274781.db2.gz LXINJQARSNLZRT-UHFFFAOYSA-N 2 0 352.935 3.067 20 0 FGADRP F[C@H]1CC2(CC[C@@H]1[NH2+]Cc1c(Cl)cccc1-n1ccnc1)OCCO2 ZINC000894659023 742315675 /nfs/dbraw/zinc/31/56/75/742315675.db2.gz LXRGLABWHVVECR-HOTGVXAUSA-N 2 0 365.836 3.249 20 0 FGADRP CN1CC[NH+](CC2CC[NH+](Cc3cc4c(cccc4O)s3)CC2)CC1 ZINC000894766007 742330020 /nfs/dbraw/zinc/33/00/20/742330020.db2.gz NKRRJJFFZCFKFX-UHFFFAOYSA-N 2 0 359.539 3.066 20 0 FGADRP C[C@@]1(Br)C[C@@H]1C[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000895346553 742400421 /nfs/dbraw/zinc/40/04/21/742400421.db2.gz INVFNZSOFHJYQW-IAGOWNOFSA-N 2 0 352.320 3.057 20 0 FGADRP CN(CC(C)(C)C[NH+](C)C)C(=O)NC1CCC(C)([NH+]2CCCC2)CC1 ZINC000896604879 742570731 /nfs/dbraw/zinc/57/07/31/742570731.db2.gz PFCYJHHGGIAEHI-UHFFFAOYSA-N 2 0 352.567 3.013 20 0 FGADRP O=C(NCC1CC[NH+](Cc2cccs2)CC1)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC000900435544 743112311 /nfs/dbraw/zinc/11/23/11/743112311.db2.gz PKNBIYCNCFPYPY-HKUYNNGSSA-N 2 0 361.555 3.093 20 0 FGADRP [NH3+]CCCC[C@@H]([NH2+][C@@H]1CCN(CC(F)(F)F)C1)c1ccc(F)cc1F ZINC000902334469 743733633 /nfs/dbraw/zinc/73/36/33/743733633.db2.gz FLJXXNYOODTBCI-CZUORRHYSA-N 2 0 365.390 3.361 20 0 FGADRP CCC[C@@H]([NH2+][C@H]1CC[NH2+]CC(C)(C)C1)C(=O)N1CCc2sccc2C1 ZINC000902346972 743734558 /nfs/dbraw/zinc/73/45/58/743734558.db2.gz NSABPPSYDZKEHX-DLBZAZTESA-N 2 0 363.571 3.169 20 0 FGADRP CC(C)[C@H](C[NH2+][C@H](C)c1ccc(C(F)(F)F)cn1)N1CC[NH+](C)CC1 ZINC000902739155 743771988 /nfs/dbraw/zinc/77/19/88/743771988.db2.gz IUWBVKFNGFRRJA-PBHICJAKSA-N 2 0 358.452 3.023 20 0 FGADRP CC[NH+]1CCN(CCCC[NH2+][C@H](C)c2ccc(C(F)(F)F)cn2)CC1 ZINC000902744674 743772186 /nfs/dbraw/zinc/77/21/86/743772186.db2.gz FCVCAGLUKBNEHM-OAHLLOKOSA-N 2 0 358.452 3.169 20 0 FGADRP COc1ccc2c(c1Cl)[C@H]([NH2+][C@@H](C)CCN1CC[NH+](C)CC1)CCC2 ZINC000903151435 743813185 /nfs/dbraw/zinc/81/31/85/743813185.db2.gz DXNYFJFWJMDBIP-DOTOQJQBSA-N 2 0 365.949 3.342 20 0 FGADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)CC(C)(C)C2)C1 ZINC000903196302 743820894 /nfs/dbraw/zinc/82/08/94/743820894.db2.gz LWXHSJLEPHIEQD-ZACQAIPSSA-N 2 0 353.551 3.342 20 0 FGADRP Cc1c2ccccc2sc1C(=O)N1CC[NH+](C[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000903439565 743851938 /nfs/dbraw/zinc/85/19/38/743851938.db2.gz KSZSDAJCHKGECX-CVEARBPZSA-N 2 0 357.523 3.095 20 0 FGADRP [NH3+]CC1([C@H]2CCCC[N@@H+]2CCC(=O)N2CCc3sccc3C2)CCC1 ZINC000903813828 743885694 /nfs/dbraw/zinc/88/56/94/743885694.db2.gz IVLSDRXGBXUWFK-GOSISDBHSA-N 2 0 361.555 3.006 20 0 FGADRP C[C@@H]1C[N@H+](Cc2cnnn2[C@@H]2CCC[NH2+]C2)CCc2ccc(Cl)cc21 ZINC000903932830 743900344 /nfs/dbraw/zinc/90/03/44/743900344.db2.gz WECAQIZCLFNTDQ-RHSMWYFYSA-N 2 0 359.905 3.018 20 0 FGADRP [NH3+]CC[C@H]1CC[N@H+](Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)C1 ZINC000904406172 743952691 /nfs/dbraw/zinc/95/26/91/743952691.db2.gz SROIGNXWHBAQTF-HNNXBMFYSA-N 2 0 352.404 3.121 20 0 FGADRP C[N@@H+]1CCC[C@@H](CNC(=O)Nc2ccccc2C[NH3+])[C@H]1c1cccs1 ZINC000904655138 743966461 /nfs/dbraw/zinc/96/64/61/743966461.db2.gz QEXSQKGUOHHMRV-YJBOKZPZSA-N 2 0 358.511 3.411 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+]Cc2csc(-c3ccn(C)n3)n2)C1 ZINC000921541349 758739087 /nfs/dbraw/zinc/73/90/87/758739087.db2.gz LBTOXINQKAXQKM-IYBDPMFKSA-N 2 0 361.559 3.391 20 0 FGADRP CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1cc(Br)cs1)C2 ZINC000922385294 758909333 /nfs/dbraw/zinc/90/93/33/758909333.db2.gz ADXWLKUOVHNEMK-WCVJEAGWSA-N 2 0 373.360 3.080 20 0 FGADRP Brc1cccc(C2([NH2+]CCC[NH2+]C3CC3)CCOCC2)c1 ZINC000923319704 759099934 /nfs/dbraw/zinc/09/99/34/759099934.db2.gz ZGKPLLVUNLXDLU-UHFFFAOYSA-N 2 0 353.304 3.187 20 0 FGADRP Cc1nc(C[NH+]2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)sc1C(C)(C)C ZINC000923380496 759107679 /nfs/dbraw/zinc/10/76/79/759107679.db2.gz XCAKIZZFNGIUTR-CVEARBPZSA-N 2 0 351.560 3.467 20 0 FGADRP C[C@H]1C[N@H+](Cc2nc(-c3cccc(C(F)(F)F)c3)no2)CC[C@@H]1C[NH3+] ZINC000923496373 759132429 /nfs/dbraw/zinc/13/24/29/759132429.db2.gz BPBWOQLDKYCFLX-WCQYABFASA-N 2 0 354.376 3.172 20 0 FGADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]Cc1cc2cc(Br)ccc2o1 ZINC000925758131 759532953 /nfs/dbraw/zinc/53/29/53/759532953.db2.gz BKWJPYVLPRIMPG-VQISRLSMSA-N 2 0 353.260 3.037 20 0 FGADRP COC[C@@H](CCC[NH3+])[NH2+]Cc1cc(C(F)(F)F)ccc1Br ZINC000925774457 759534529 /nfs/dbraw/zinc/53/45/29/759534529.db2.gz VKNXTFMWXJLLCA-GFCCVEGCSA-N 2 0 369.225 3.311 20 0 FGADRP C[C@H]([NH2+]CCCCCC1CC[NH2+]CC1)c1cccc(NS(C)(=O)=O)c1 ZINC000925818913 759550619 /nfs/dbraw/zinc/55/06/19/759550619.db2.gz WATFJNQEZAKBQQ-INIZCTEOSA-N 2 0 367.559 3.269 20 0 FGADRP C[C@H]([NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)[C@@H](C)c1ccc(Cl)cc1 ZINC000925849433 759557422 /nfs/dbraw/zinc/55/74/22/759557422.db2.gz JFCCXDYREZVADW-JKIFEVAISA-N 2 0 350.890 3.107 20 0 FGADRP O=C1O[C@H](C[NH2+][C@H]2CCSc3c(Cl)cccc32)CC12CC[NH2+]CC2 ZINC000925850581 759558250 /nfs/dbraw/zinc/55/82/50/759558250.db2.gz JPGWMIJUETZYRH-WFASDCNBSA-N 2 0 366.914 3.152 20 0 FGADRP [NH3+][C@@H]1CC[C@H](C[NH2+][C@H](c2ccc(Br)cc2)[C@H]2CCCO2)C1 ZINC000925881999 759565978 /nfs/dbraw/zinc/56/59/78/759565978.db2.gz IFFXEABJZPMNCA-WBQNTZJQSA-N 2 0 353.304 3.386 20 0 FGADRP C[C@@H]1[C@H](C(=O)N2C[C@H]([NH2+]Cc3ccc(Cl)cc3)C(C)(C)C2)CC[N@@H+]1C ZINC000995833686 764971771 /nfs/dbraw/zinc/97/17/71/764971771.db2.gz RMJUIMLWGAZTDY-OLMNPRSZSA-N 2 0 363.933 3.007 20 0 FGADRP C[C@@H]1[C@H](C(=O)NCC2CC[NH+](Cc3sccc3Cl)CC2)CC[N@@H+]1C ZINC001001419493 765287372 /nfs/dbraw/zinc/28/73/72/765287372.db2.gz WCGSKEURVKVORE-UKRRQHHQSA-N 2 0 369.962 3.070 20 0 FGADRP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc(Cl)c(Cl)c3)C2)CC[N@@H+]1C ZINC001020172165 765866041 /nfs/dbraw/zinc/86/60/41/765866041.db2.gz OWNUECBKXPULQU-NMFUWQPSSA-N 2 0 370.324 3.070 20 0 FGADRP Cc1cc(C[NH+]2CCC[C@H](CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)c(C)s1 ZINC001023377401 766035730 /nfs/dbraw/zinc/03/57/30/766035730.db2.gz KSFCRDDMFPYXHP-SZVBFZGTSA-N 2 0 363.571 3.033 20 0 FGADRP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]2C[NH2+]Cc2sccc2Cl)CC[N@@H+]1C ZINC001034940898 766250320 /nfs/dbraw/zinc/25/03/20/766250320.db2.gz GMHWETBCWYAKJP-IJEWVQPXSA-N 2 0 369.962 3.212 20 0 FGADRP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]2C[NH2+]Cc2cccc(Cl)c2)CC[N@@H+]1C ZINC001045044570 766505622 /nfs/dbraw/zinc/50/56/22/766505622.db2.gz NTCPDXDITPOHCD-GBESFXJTSA-N 2 0 363.933 3.151 20 0 FGADRP C[C@H]1CCc2c(C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)csc2C1 ZINC000098076088 209205007 /nfs/dbraw/zinc/20/50/07/209205007.db2.gz URKZQJUGJDZTKB-INIZCTEOSA-N 2 0 365.587 3.219 20 0 FGADRP CN(C)c1cc[nH+]cc1C(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000248756666 257369752 /nfs/dbraw/zinc/36/97/52/257369752.db2.gz WNXHEKCSQITCGK-KSSFIOAISA-N 2 0 358.511 3.022 20 0 FGADRP CCc1ccc([C@H](C)NC(=O)[C@H](C)[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000573609098 505577714 /nfs/dbraw/zinc/57/77/14/505577714.db2.gz SUUKTLNJTRQMFY-XGHQBKJUSA-N 2 0 357.542 3.136 20 0 FGADRP CC(C)c1ccc([C@H]([NH3+])CNC(=O)N2CCCC23CC[NH+](C)CC3)cc1 ZINC000579572222 505577942 /nfs/dbraw/zinc/57/79/42/505577942.db2.gz NLTJXDALOSKDIH-LJQANCHMSA-N 2 0 358.530 3.080 20 0 FGADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCCN2c3ccccc3C[C@@H]2C1 ZINC000576748905 505584995 /nfs/dbraw/zinc/58/49/95/505584995.db2.gz FCXBOPJSAQBAHA-OAQYLSRUSA-N 2 0 359.477 3.213 20 0 FGADRP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc(I)cc1 ZINC000037648834 494107808 /nfs/dbraw/zinc/10/78/08/494107808.db2.gz DXOQNZZFPJXIBM-OLZOCXBDSA-N 2 0 370.278 3.426 20 0 FGADRP O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000573980777 505665943 /nfs/dbraw/zinc/66/59/43/505665943.db2.gz ZBNRHEPSPXASPR-PMACEKPBSA-N 2 0 367.493 3.055 20 0 FGADRP Cc1nc2ccccc2n1C[C@@H]1CCCN1C(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000568373121 505679040 /nfs/dbraw/zinc/67/90/40/505679040.db2.gz RGTQCIVVSIKZCE-SQNIBIBYSA-N 2 0 369.513 3.036 20 0 FGADRP C[C@H](OC[C@@H](O)C[NH2+]C1CCC([NH+](C)C)CC1)c1ccc(Cl)cc1 ZINC000574033083 505677532 /nfs/dbraw/zinc/67/75/32/505677532.db2.gz GHTZCVRDKJNBFF-QKHJWGRCSA-N 2 0 354.922 3.241 20 0 FGADRP CC[N@H+](C)[C@H](C(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C)c1ccccc1 ZINC000057825930 493804027 /nfs/dbraw/zinc/80/40/27/493804027.db2.gz IWSVJCIMYVBIEY-PMACEKPBSA-N 2 0 357.473 3.238 20 0 FGADRP C[NH+](C)Cc1ccc(C(=O)N2CCC[N@H+](Cc3ccccc3)CC2)cc1 ZINC000068374898 493805822 /nfs/dbraw/zinc/80/58/22/493805822.db2.gz SUUGCZKQWGFLEL-UHFFFAOYSA-N 2 0 351.494 3.096 20 0 FGADRP Cc1cc2ncn(C[C@H](O)C[NH2+]CCCC[N@H+]3CCCC[C@@H]3C)c2cc1C ZINC000568384031 505681815 /nfs/dbraw/zinc/68/18/15/505681815.db2.gz SQSSIVWUASSDPV-VQTJNVASSA-N 2 0 372.557 3.258 20 0 FGADRP O=C(N[C@@H]1CC[N@H+](CC2CCCC2)C1)c1cccc(C[NH+]2CCCC2)c1 ZINC000081290843 493862231 /nfs/dbraw/zinc/86/22/31/493862231.db2.gz PQSRQEHKINKBSF-OAQYLSRUSA-N 2 0 355.526 3.277 20 0 FGADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@H]1C[C@H]1c1cccc(Cl)c1 ZINC000049993819 493890601 /nfs/dbraw/zinc/89/06/01/493890601.db2.gz PRALUPUWSJBIPM-OALUTQOASA-N 2 0 365.949 3.176 20 0 FGADRP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+](C)C2CCCCC2)CC1 ZINC000051128209 493950346 /nfs/dbraw/zinc/95/03/46/493950346.db2.gz JSIAKQIBGLYURZ-UHFFFAOYSA-N 2 0 357.542 3.340 20 0 FGADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000076983333 494002127 /nfs/dbraw/zinc/00/21/27/494002127.db2.gz FHSMCTVWENOIOT-FQEVSTJZSA-N 2 0 372.557 3.297 20 0 FGADRP C[C@@H](c1ccc(C(F)(F)F)cc1)[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000077376725 494070075 /nfs/dbraw/zinc/07/00/75/494070075.db2.gz TXHNZDTXQMOVFW-AWEZNQCLSA-N 2 0 371.447 3.156 20 0 FGADRP COc1ccc(OC2CC[NH+](C[C@@H](C[NH3+])c3ccc(OC)cc3)CC2)cc1 ZINC000577270877 505698339 /nfs/dbraw/zinc/69/83/39/505698339.db2.gz NURNVOZPBDGUPN-GOSISDBHSA-N 2 0 370.493 3.290 20 0 FGADRP CCCOc1c(Cl)cc(C[NH2+]CC2(O)CC[NH+](C)CC2)cc1OCC ZINC000077450045 494086269 /nfs/dbraw/zinc/08/62/69/494086269.db2.gz WLXINIOLDSBYKN-UHFFFAOYSA-N 2 0 370.921 3.074 20 0 FGADRP c1c(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c(-c2cccnc2)nn1-c1ccccc1 ZINC000580194498 505700720 /nfs/dbraw/zinc/70/07/20/505700720.db2.gz QJRIZJYGYBWKFU-KDURUIRLSA-N 2 0 373.504 3.366 20 0 FGADRP C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)NC[C@@]2(C)CCC[NH2+]C2)C1 ZINC000571300789 505702349 /nfs/dbraw/zinc/70/23/49/505702349.db2.gz SWTSIFYDGIYZRY-AVRDEDQJSA-N 2 0 372.557 3.107 20 0 FGADRP Cc1ccc([C@H](CNC(=O)N2CCC([NH+]3CCCCC3)CC2)[NH+](C)C)cc1 ZINC000065466194 494200681 /nfs/dbraw/zinc/20/06/81/494200681.db2.gz SBRVQADIVHFAQF-NRFANRHFSA-N 2 0 372.557 3.258 20 0 FGADRP C[C@H](C(=O)N[C@@H](C)c1cc2ccccc2o1)[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000568492427 505708932 /nfs/dbraw/zinc/70/89/32/505708932.db2.gz NSALTDROLSSFHB-FRQCXROJSA-N 2 0 369.509 3.463 20 0 FGADRP CCC[NH+]1CCN(c2ccccc2C[NH2+]Cc2ccc3c(c2)OCO3)CC1 ZINC000088668911 494254933 /nfs/dbraw/zinc/25/49/33/494254933.db2.gz VSKTXVVJQLNBAF-UHFFFAOYSA-N 2 0 367.493 3.237 20 0 FGADRP CC[NH+]1CCC(NC(=O)C[N@H+](C2CC2)[C@H]2CCCc3ccccc32)CC1 ZINC000089116924 494267594 /nfs/dbraw/zinc/26/75/94/494267594.db2.gz YAOFHPMDYDKFQH-NRFANRHFSA-N 2 0 355.526 3.129 20 0 FGADRP CCC[NH+]1CCC(N(C)C(=O)NCCCC[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000066179027 494284941 /nfs/dbraw/zinc/28/49/41/494284941.db2.gz NDUQGWLEJXLVRE-OALUTQOASA-N 2 0 366.594 3.260 20 0 FGADRP C[NH+](C)[C@H](CNC(=O)c1ccc(C[NH+]2CCCC2)cc1)c1cccs1 ZINC000078558815 494320149 /nfs/dbraw/zinc/32/01/49/494320149.db2.gz MJENEKRIKQBSFN-GOSISDBHSA-N 2 0 357.523 3.377 20 0 FGADRP C[C@H](CNC(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1)C[NH+]1CCCC1 ZINC000073204674 494336836 /nfs/dbraw/zinc/33/68/36/494336836.db2.gz NHDDEAUYBFXYCZ-AQNXPRMDSA-N 2 0 364.578 3.014 20 0 FGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCCC[NH+]1Cc1ccccc1 ZINC000078799680 494363667 /nfs/dbraw/zinc/36/36/67/494363667.db2.gz VPBBOICFRQISAP-LEWJYISDSA-N 2 0 357.542 3.420 20 0 FGADRP [NH3+][C@H]1CCCCC[C@H]1NCc1ccc(N2CCc3ccccc3C2)nc1 ZINC000577382540 505717178 /nfs/dbraw/zinc/71/71/78/505717178.db2.gz XCLMIKOSFVFIDF-LEWJYISDSA-N 2 0 350.510 3.394 20 0 FGADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)NCc2ccccc2C[NH+]2CCCC2)C1 ZINC000073550690 494388555 /nfs/dbraw/zinc/38/85/55/494388555.db2.gz PSUQBRWAYOFZMX-LJQANCHMSA-N 2 0 372.557 3.156 20 0 FGADRP O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)N1CCC([NH+]2CCCC2)CC1 ZINC000079007713 494391802 /nfs/dbraw/zinc/39/18/02/494391802.db2.gz QQEDWQJRRLQCKQ-OAQYLSRUSA-N 2 0 370.541 3.093 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)NCCC[NH+]2CCCC2)cc1 ZINC000045121400 494399784 /nfs/dbraw/zinc/39/97/84/494399784.db2.gz FNNDOEUZABPXPH-LJQANCHMSA-N 2 0 372.557 3.346 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000079197800 494417756 /nfs/dbraw/zinc/41/77/56/494417756.db2.gz VMWOWHGOWJRTIP-SJORKVTESA-N 2 0 366.575 3.305 20 0 FGADRP CC[NH+]1CCC(CCNC(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000073724190 494418763 /nfs/dbraw/zinc/41/87/63/494418763.db2.gz OYTDKOGARWWMNC-NRFANRHFSA-N 2 0 372.557 3.072 20 0 FGADRP C[C@H](CCc1ccccc1F)[NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000090038627 494431398 /nfs/dbraw/zinc/43/13/98/494431398.db2.gz QCDFIOZCPKSLEF-QGZVFWFLSA-N 2 0 371.500 3.228 20 0 FGADRP C[C@@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)c1ccc(F)cc1F ZINC000090038838 494432233 /nfs/dbraw/zinc/43/22/33/494432233.db2.gz OATWUGVCBXTILD-CQSZACIVSA-N 2 0 361.436 3.107 20 0 FGADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)NC2CC[NH+](CC3CCCC3)CC2)C1 ZINC000073911040 494447613 /nfs/dbraw/zinc/44/76/13/494447613.db2.gz FWYHEHMBNXDCPI-LJQANCHMSA-N 2 0 364.578 3.014 20 0 FGADRP C[C@H](C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000073988931 494462036 /nfs/dbraw/zinc/46/20/36/494462036.db2.gz LDRXNVJRZRBUEP-QIJUGHKUSA-N 2 0 369.553 3.025 20 0 FGADRP CC(C)[N@H+](C)CC1CCN(C(=O)NCCCC[NH+]2CCC(C)CC2)CC1 ZINC000079612646 494493100 /nfs/dbraw/zinc/49/31/00/494493100.db2.gz ACIWGULFDWGIEP-UHFFFAOYSA-N 2 0 366.594 3.260 20 0 FGADRP C[NH+](C)CCC1CCN(C(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000079620881 494495461 /nfs/dbraw/zinc/49/54/61/494495461.db2.gz PVIGIHUISRBZPE-OAQYLSRUSA-N 2 0 372.557 3.024 20 0 FGADRP C[NH+](C)CCOc1cc(C[NH2+][C@H]2CSCCc3ccccc32)ccn1 ZINC000090937387 494504436 /nfs/dbraw/zinc/50/44/36/494504436.db2.gz AICMVLCSEFHNLY-IBGZPJMESA-N 2 0 357.523 3.142 20 0 FGADRP C[NH+](C)CCOc1cc(C[NH2+][C@@H]2CCCOc3ccc(F)cc32)ccn1 ZINC000090937264 494504993 /nfs/dbraw/zinc/50/49/93/494504993.db2.gz PMDDEXGOVMZVCZ-GOSISDBHSA-N 2 0 359.445 3.165 20 0 FGADRP C[C@H](CNC(=O)NCc1cccc(C[NH+]2CCCC2)c1)C[NH+]1CCCCC1 ZINC000079689857 494508606 /nfs/dbraw/zinc/50/86/06/494508606.db2.gz MJMVJXMYQAENID-LJQANCHMSA-N 2 0 372.557 3.204 20 0 FGADRP C[NH+](C)[C@@H](CNC(=O)NC[C@H](C1CCCCC1)[NH+](C)C)c1ccsc1 ZINC000046313910 494515588 /nfs/dbraw/zinc/51/55/88/494515588.db2.gz MEYPHRLPCCSFFR-MSOLQXFVSA-N 2 0 366.575 3.161 20 0 FGADRP C[C@H](NC(=O)C[NH+]1CCC(CC[NH+](C)C)CC1)c1ccccc1Cl ZINC000056525366 494520636 /nfs/dbraw/zinc/52/06/36/494520636.db2.gz LDTYVCMOLFXEDX-HNNXBMFYSA-N 2 0 351.922 3.181 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CNC(=O)N1CCC(C[NH+](C)Cc2ccccc2)CC1 ZINC000074490527 494546143 /nfs/dbraw/zinc/54/61/43/494546143.db2.gz AECFSITVEWGELE-NRFANRHFSA-N 2 0 372.557 3.024 20 0 FGADRP CCCC[N@H+](C)CC1CCN(C(=O)NCCC[NH+]2CCC(C)CC2)CC1 ZINC000079912006 494548344 /nfs/dbraw/zinc/54/83/44/494548344.db2.gz GJMTZOIQNDHUDK-UHFFFAOYSA-N 2 0 366.594 3.262 20 0 FGADRP O=c1ccc2c([nH]1)CCC[C@@H]2[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000067504114 494553705 /nfs/dbraw/zinc/55/37/05/494553705.db2.gz ZYYUIWPAPHPGBH-FQEVSTJZSA-N 2 0 367.493 3.017 20 0 FGADRP C[C@@H](C[NH2+][C@H]1CCc2c1ccc(Cl)c2Cl)CN1CC[NH+](C)CC1 ZINC000121083872 494586878 /nfs/dbraw/zinc/58/68/78/494586878.db2.gz FVHNMYDESPOZNX-GUYCJALGSA-N 2 0 356.341 3.454 20 0 FGADRP C[C@@H](Cc1ccc(Cl)cc1)[NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000091375271 494590702 /nfs/dbraw/zinc/59/07/02/494590702.db2.gz QPJXKOURILGSKX-INIZCTEOSA-N 2 0 373.928 3.352 20 0 FGADRP CC[NH+]1CCC([NH2+]Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)CC1 ZINC000067666854 494605132 /nfs/dbraw/zinc/60/51/32/494605132.db2.gz NCLYDSYWBWKYJF-UHFFFAOYSA-N 2 0 352.404 3.465 20 0 FGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@H]2CCCOc3ccc(Cl)cc32)CC1 ZINC000121120329 494605680 /nfs/dbraw/zinc/60/56/80/494605680.db2.gz UFMJCKLRKRSZAM-LPHOPBHVSA-N 2 0 365.949 3.417 20 0 FGADRP FC(F)(F)c1ccn(-c2ccc(C[NH2+]C[C@H]3CC[N@@H+](C4CC4)C3)cc2)n1 ZINC000067693060 494613297 /nfs/dbraw/zinc/61/32/97/494613297.db2.gz JAPXIVAEISOBTD-OAHLLOKOSA-N 2 0 364.415 3.465 20 0 FGADRP CC1CC[NH+](CCCNC(=O)NCCCC[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000107941350 494625148 /nfs/dbraw/zinc/62/51/48/494625148.db2.gz LTEYGIVPZMPLIO-PMACEKPBSA-N 2 0 366.594 3.166 20 0 FGADRP CCC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000126158074 494656452 /nfs/dbraw/zinc/65/64/52/494656452.db2.gz SUSFXKSKQKHYGU-IBGZPJMESA-N 2 0 361.555 3.091 20 0 FGADRP CC[NH+](CC)CCOc1ccc(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)cc1 ZINC000121266358 494674118 /nfs/dbraw/zinc/67/41/18/494674118.db2.gz VTELDHLDMUPESM-NJYVYQBISA-N 2 0 358.526 3.454 20 0 FGADRP CCc1ccc([C@@H](CNC(=O)Nc2ccc3c(c2)C[NH2+]C3)[NH+](C)C)cc1 ZINC000577472392 505734945 /nfs/dbraw/zinc/73/49/45/505734945.db2.gz JPCUQBWKIPAVBA-HXUWFJFHSA-N 2 0 352.482 3.277 20 0 FGADRP C[C@H]1C[NH+](CC2CC[NH+](Cc3c[nH]nc3-c3cccs3)CC2)C[C@H](C)O1 ZINC000092587169 494677522 /nfs/dbraw/zinc/67/75/22/494677522.db2.gz UGDQFDSZNIQBOI-HOTGVXAUSA-N 2 0 374.554 3.459 20 0 FGADRP C[C@H]1CCC[N@@H+]1C1CCN(C(=O)NCCCC[NH+]2CCC[C@@H](C)C2)CC1 ZINC000126306793 494703812 /nfs/dbraw/zinc/70/38/12/494703812.db2.gz JAUIEXWAWRKUJW-MOPGFXCFSA-N 2 0 364.578 3.157 20 0 FGADRP C[N@@H+]1CCC[C@@H](CC[NH2+]C[C@@H](O)COc2ccc(-c3ccccc3)cc2)C1 ZINC000568619725 505738426 /nfs/dbraw/zinc/73/84/26/505738426.db2.gz GHYVVWLTSIJYMS-SIKLNZKXSA-N 2 0 368.521 3.415 20 0 FGADRP C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)Cc1nnc(-c2ccco2)o1 ZINC000092821627 494764145 /nfs/dbraw/zinc/76/41/45/494764145.db2.gz RGEXGQAAGOJECA-UHFFFAOYSA-N 2 0 367.453 3.463 20 0 FGADRP COC(=O)c1ccc(C[N@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)o1 ZINC000092821328 494764865 /nfs/dbraw/zinc/76/48/65/494764865.db2.gz ODTFDRQWCPNALE-UHFFFAOYSA-N 2 0 357.454 3.200 20 0 FGADRP Cc1cc(Cl)c2c(c1)[C@H]([NH2+]CCCN1CC[NH+](C)CC1)CCCO2 ZINC000126482300 494766578 /nfs/dbraw/zinc/76/65/78/494766578.db2.gz WIJODPJNYXAASL-GOSISDBHSA-N 2 0 351.922 3.089 20 0 FGADRP CC1CC[NH+](C2CCC([NH2+]C[C@H](O)COCc3cccs3)CC2)CC1 ZINC000577502678 505741135 /nfs/dbraw/zinc/74/11/35/505741135.db2.gz DSVNCRXEHMOTAF-ACBHZAAOSA-N 2 0 366.571 3.258 20 0 FGADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000108884389 494798841 /nfs/dbraw/zinc/79/88/41/494798841.db2.gz IIWHGTLRNUCEDO-GOSISDBHSA-N 2 0 352.567 3.203 20 0 FGADRP C[NH+](C)Cc1cccc(NC(=O)Nc2cnn(CC[NH+]3CCCCC3)c2)c1 ZINC000092978984 494800502 /nfs/dbraw/zinc/80/05/02/494800502.db2.gz LFZXNHBIOFAUTC-UHFFFAOYSA-N 2 0 370.501 3.075 20 0 FGADRP O=C(c1cccc(C[NH+]2CCCC2)c1)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000126732833 494827734 /nfs/dbraw/zinc/82/77/34/494827734.db2.gz UYDXSVUIAFBCHF-IRLDBZIGSA-N 2 0 367.537 3.371 20 0 FGADRP C[C@H](NC(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@H](c1ccccc1)[NH+](C)C ZINC000577529618 505745926 /nfs/dbraw/zinc/74/59/26/505745926.db2.gz VVKKRZINDWQVQI-VLCRHTCISA-N 2 0 365.521 3.316 20 0 FGADRP CC[NH+]1CCC(CC[NH2+][C@@H](C)c2ccc(NS(=O)(=O)CC)cc2)CC1 ZINC000121751676 494851914 /nfs/dbraw/zinc/85/19/14/494851914.db2.gz XMTRJAOCOXILTJ-INIZCTEOSA-N 2 0 367.559 3.221 20 0 FGADRP C[NH+](C)CCN1CCC([NH2+][C@@H]2CCCc3ncc(C(F)(F)F)cc32)CC1 ZINC000132501404 494884730 /nfs/dbraw/zinc/88/47/30/494884730.db2.gz XGYVUVSAERXQGP-GOSISDBHSA-N 2 0 370.463 3.093 20 0 FGADRP C[N@H+](CCCN1CC[NH+](C)CC1)Cc1cnc(C2CCCCC2)s1 ZINC000577542721 505748171 /nfs/dbraw/zinc/74/81/71/505748171.db2.gz FTXZVCHDBGGILK-UHFFFAOYSA-N 2 0 350.576 3.260 20 0 FGADRP COc1cc(OC)c(OC)cc1C[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000093688578 494912119 /nfs/dbraw/zinc/91/21/19/494912119.db2.gz XUKKDYOTOFKECI-UHFFFAOYSA-N 2 0 350.503 3.266 20 0 FGADRP COc1cccc(Cl)c1C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000093734960 494914979 /nfs/dbraw/zinc/91/49/79/494914979.db2.gz NQHSEGBHEJRUQR-UHFFFAOYSA-N 2 0 352.906 3.425 20 0 FGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]C2CCN(c3ccccc3)CC2)[C@H](C)C1 ZINC000132752344 494918657 /nfs/dbraw/zinc/91/86/57/494918657.db2.gz NLGVWEHQFIQTLB-DENIHFKCSA-N 2 0 359.558 3.382 20 0 FGADRP O=C([C@@H]1CCC[N@@H+]1Cc1ccccc1)N1CCC([NH2+]C2CCCC2)CC1 ZINC000109924905 494933581 /nfs/dbraw/zinc/93/35/81/494933581.db2.gz QYDFIGSELPWSMA-NRFANRHFSA-N 2 0 355.526 3.174 20 0 FGADRP C[C@@H]([NH2+]Cc1ccc(CN2CC[NH+](C)CC2)cc1)c1ccccc1N(C)C ZINC000093942790 494937397 /nfs/dbraw/zinc/93/73/97/494937397.db2.gz FVWPAPUJIAOQOQ-LJQANCHMSA-N 2 0 366.553 3.351 20 0 FGADRP CC1CC[NH+](CCCC[NH2+]C[C@@H](O)COc2ccccc2Cl)CC1 ZINC000571516367 505751770 /nfs/dbraw/zinc/75/17/70/505751770.db2.gz MDXHAKRSHSUDTH-QGZVFWFLSA-N 2 0 354.922 3.181 20 0 FGADRP CCc1ccc([C@H](CNC(=O)N(C)[C@@H]2CC[N@@H+](CC)C[C@@H]2C)[NH+](C)C)cc1 ZINC000127941505 495020447 /nfs/dbraw/zinc/02/04/47/495020447.db2.gz BOJUBRVKZALGFH-WMQCIHAUSA-N 2 0 374.573 3.223 20 0 FGADRP CC1CC[NH+](CCCNC(=O)NCCC[N@H+](C)C2CCCCC2)CC1 ZINC000097160300 495026194 /nfs/dbraw/zinc/02/61/94/495026194.db2.gz VVQZZVRWSWNRJB-UHFFFAOYSA-N 2 0 352.567 3.062 20 0 FGADRP CC[NH+](CC)[C@@H](C(=O)NC[C@@H](c1ccccc1)[NH+](C)C)c1ccccc1 ZINC000111071713 495036495 /nfs/dbraw/zinc/03/64/95/495036495.db2.gz FHECZBKRMTZKRY-LEWJYISDSA-N 2 0 353.510 3.489 20 0 FGADRP Cc1ccc(C)c([C@H]2CCC[N@H+]2CC(=O)NC2CC[NH+](C(C)C)CC2)c1 ZINC000133742938 495055224 /nfs/dbraw/zinc/05/52/24/495055224.db2.gz JZSXXRSHBIFXOC-OAQYLSRUSA-N 2 0 357.542 3.429 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)[C@H](C)C1 ZINC000128333946 495081164 /nfs/dbraw/zinc/08/11/64/495081164.db2.gz MTTVVBYDNGVZKK-GIVPXCGWSA-N 2 0 372.557 3.195 20 0 FGADRP C[C@H](CNC(=O)NC[C@H](c1cccs1)[NH+](C)C)[N@H+](C)Cc1ccccc1 ZINC000111505148 495083416 /nfs/dbraw/zinc/08/34/16/495083416.db2.gz ZHLZNQIFFKUGKY-SJLPKXTDSA-N 2 0 374.554 3.171 20 0 FGADRP CN(c1ccccc1C[NH2+]CCC1CC[NH+](C)CC1)C1CC[NH+](C)CC1 ZINC000133947853 495085617 /nfs/dbraw/zinc/08/56/17/495085617.db2.gz GEYNVZHAISLKBM-UHFFFAOYSA-N 3 0 358.574 3.039 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NCCCC[NH+]2CCCC[C@@H]2C)[C@H](C)C1 ZINC000128364806 495085814 /nfs/dbraw/zinc/08/58/14/495085814.db2.gz BMJHUNASDHWWHL-QYZOEREBSA-N 2 0 352.567 3.013 20 0 FGADRP C[C@H](CCCOc1ccccc1C(N)=O)[NH2+]C1CCC(C[NH+](C)C)CC1 ZINC000123145745 495087298 /nfs/dbraw/zinc/08/72/98/495087298.db2.gz VNMGMSRDTAVBCE-WWDZGPRUSA-N 2 0 361.530 3.043 20 0 FGADRP CCOc1ccccc1NC(=O)CC[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123252199 495103593 /nfs/dbraw/zinc/10/35/93/495103593.db2.gz ZSJQGCSDAKJYJR-UHFFFAOYSA-N 2 0 361.530 3.468 20 0 FGADRP COc1cc([C@H](C)[NH2+]CCCN2CCC[N@H+](C)CC2)ccc1SC ZINC000128523262 495110689 /nfs/dbraw/zinc/11/06/89/495110689.db2.gz FLOWDBDMYGJFQO-INIZCTEOSA-N 2 0 351.560 3.095 20 0 FGADRP CC(=O)Nc1cccc(NC(=O)[C@H](C)[NH+]2CCC(CCC[NH+](C)C)CC2)c1 ZINC000123370612 495121569 /nfs/dbraw/zinc/12/15/69/495121569.db2.gz ISAUIUDLLDULHC-INIZCTEOSA-N 2 0 374.529 3.026 20 0 FGADRP C[C@H](C(=O)N1CCc2ccccc2C1)[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123403976 495127368 /nfs/dbraw/zinc/12/73/68/495127368.db2.gz LSNWZCICJBDJDF-GOSISDBHSA-N 2 0 357.542 3.014 20 0 FGADRP C[NH+](C)CCCC1CC[NH+](CC(=O)N[C@H]2CCCc3ccccc32)CC1 ZINC000123410946 495128540 /nfs/dbraw/zinc/12/85/40/495128540.db2.gz GTENPYUQKDIDJY-NRFANRHFSA-N 2 0 357.542 3.234 20 0 FGADRP C[C@@H]([NH2+]CCCN1CCC[N@H+](C)CC1)c1ccc(OC(F)(F)F)cc1 ZINC000128668715 495132583 /nfs/dbraw/zinc/13/25/83/495132583.db2.gz MZWJIYKKWFXIRS-OAHLLOKOSA-N 2 0 359.436 3.263 20 0 FGADRP CCn1cc(C[NH2+][C@@H](C)c2cc(F)ccc2N2CC[NH+](CC)CC2)cn1 ZINC000112098769 495143254 /nfs/dbraw/zinc/14/32/54/495143254.db2.gz LJHZMACQJMISIU-INIZCTEOSA-N 2 0 359.493 3.035 20 0 FGADRP CCCC[N@H+](C)CCNC(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC000112455685 495194454 /nfs/dbraw/zinc/19/44/54/495194454.db2.gz MEYNGIUHYSIJLJ-SEJPIABJSA-N 2 0 372.557 3.213 20 0 FGADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)NC[C@]2(C)CCC[NH+]2Cc2ccccc2)C1 ZINC000119617243 495202384 /nfs/dbraw/zinc/20/23/84/495202384.db2.gz HCBZXJPHRKZOSH-UNMCSNQZSA-N 2 0 372.557 3.024 20 0 FGADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000103305520 495217043 /nfs/dbraw/zinc/21/70/43/495217043.db2.gz SZNGRIMQVAHDES-VQTJNVASSA-N 2 0 364.578 3.158 20 0 FGADRP C[NH+]1CCC(CCNC(=O)N2CCC[N@H+](CC3CCCCC3)CC2)CC1 ZINC000103320976 495220070 /nfs/dbraw/zinc/22/00/70/495220070.db2.gz SPKXDSWZKLKLBQ-UHFFFAOYSA-N 2 0 364.578 3.016 20 0 FGADRP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C[C@H]([NH3+])c1ccccc1 ZINC000119760198 495235022 /nfs/dbraw/zinc/23/50/22/495235022.db2.gz SBBPGSYGNYDTRT-UNMCSNQZSA-N 2 0 365.521 3.447 20 0 FGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCc2ccc(-n3cccn3)cc2)[C@H](C)C1 ZINC000129571353 495263987 /nfs/dbraw/zinc/26/39/87/495263987.db2.gz DTBGMHUSOJUVBT-DENIHFKCSA-N 2 0 370.541 3.141 20 0 FGADRP COC[C@H]1CCC[NH+](Cc2cccc(C[N@H+]3CCC[C@H](COC)C3)c2)C1 ZINC000112990930 495265197 /nfs/dbraw/zinc/26/51/97/495265197.db2.gz BKWDPQFNPSQRBV-VXKWHMMOSA-N 2 0 360.542 3.403 20 0 FGADRP CCCOc1ccc(Cl)cc1NC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000119916252 495269050 /nfs/dbraw/zinc/26/90/50/495269050.db2.gz OGYMGQKPAIEHBL-UHFFFAOYSA-N 2 0 370.925 3.086 20 0 FGADRP C[C@H]1C[C@H](CCNC(=O)c2ccc(C[NH3+])cc2)C[N@@H+]1Cc1ccccc1 ZINC000568760263 505772387 /nfs/dbraw/zinc/77/23/87/505772387.db2.gz QEMXHTRSMBCABY-PXNSSMCTSA-N 2 0 351.494 3.176 20 0 FGADRP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3ccccc3Oc3cccnc3)C2)CC1 ZINC000113504116 495307679 /nfs/dbraw/zinc/30/76/79/495307679.db2.gz NGJBYBIZWUOTNR-FQEVSTJZSA-N 2 0 366.509 3.086 20 0 FGADRP C[C@H]1OCC[C@H]1[NH2+]Cc1ccccc1C[NH+]1CCN(c2ccccc2)CC1 ZINC000120133518 495313517 /nfs/dbraw/zinc/31/35/17/495313517.db2.gz SXVJSPNMBWWUQL-AUSIDOKSSA-N 2 0 365.521 3.276 20 0 FGADRP C[NH+](C)CCC1CC[NH+](C[C@@H](O)COc2cccc(C(F)(F)F)c2)CC1 ZINC000104947499 495318100 /nfs/dbraw/zinc/31/81/00/495318100.db2.gz SBSDIQWTNUWIQF-QGZVFWFLSA-N 2 0 374.447 3.109 20 0 FGADRP C[NH+]1CCC(C[NH2+]C2CCN(c3ccccc3)CC2)(N2CCCCC2)CC1 ZINC000124714427 495332044 /nfs/dbraw/zinc/33/20/44/495332044.db2.gz QHTBWMZTHGAMQW-UHFFFAOYSA-N 2 0 370.585 3.195 20 0 FGADRP COC(=O)c1ccc(C[N@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)cc1F ZINC000130101948 495341440 /nfs/dbraw/zinc/34/14/40/495341440.db2.gz MQYKQASGIQEULF-UHFFFAOYSA-N 2 0 371.456 3.356 20 0 FGADRP CC(C)CN(C(=O)C[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1)C(C)C ZINC000130103606 495342130 /nfs/dbraw/zinc/34/21/30/495342130.db2.gz WTDWFGGHFISNKT-UHFFFAOYSA-N 2 0 360.546 3.123 20 0 FGADRP C[NH+](C)CCNC(=O)c1ccc(C[NH2+]Cc2ccc(F)cc2Cl)cc1 ZINC000136178739 495361884 /nfs/dbraw/zinc/36/18/84/495361884.db2.gz ACTYMHMWZMYNEU-UHFFFAOYSA-N 2 0 363.864 3.060 20 0 FGADRP Cc1ccc2c(c1)[C@H]([NH2+]Cc1ccc(N3CC[NH+](C)CC3)nc1)CCCO2 ZINC000130501286 495401492 /nfs/dbraw/zinc/40/14/92/495401492.db2.gz OMYLYTDFJVLTPY-HXUWFJFHSA-N 2 0 366.509 3.145 20 0 FGADRP COc1ccc([C@@H](C)[C@H](C)[NH2+]Cc2ccc(N3CC[NH+](C)CC3)nc2)cc1 ZINC000130507524 495402304 /nfs/dbraw/zinc/40/23/04/495402304.db2.gz MYHPGWKFMODXTE-ROUUACIJSA-N 2 0 368.525 3.124 20 0 FGADRP COc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000130525343 495404794 /nfs/dbraw/zinc/40/47/94/495404794.db2.gz RIORVUYSGZLOQG-OAQYLSRUSA-N 2 0 366.509 3.009 20 0 FGADRP Cc1cccc(N2CC[NH+](CCCC[NH2+][C@H](C)C3CCOCC3)CC2)c1 ZINC000125342321 495429771 /nfs/dbraw/zinc/42/97/71/495429771.db2.gz CKCIUUSUXZNREL-HXUWFJFHSA-N 2 0 359.558 3.302 20 0 FGADRP CC[NH+](CC)Cc1cccc(CNC(=O)NC2CCC(C[NH+](C)C)CC2)c1 ZINC000137911078 495453827 /nfs/dbraw/zinc/45/38/27/495453827.db2.gz FCYXFPWRDZFGTL-UHFFFAOYSA-N 2 0 374.573 3.448 20 0 FGADRP C[C@@H](C[NH2+][C@@H](C)c1ccc(Br)s1)CN1CC[NH+](C)CC1 ZINC000120850856 495470729 /nfs/dbraw/zinc/47/07/29/495470729.db2.gz RRYCPNYMLRVSAX-STQMWFEESA-N 2 0 360.365 3.045 20 0 FGADRP COc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]C[C@@H](C)C[NH+]1CCCC1 ZINC000120939262 495489137 /nfs/dbraw/zinc/48/91/37/495489137.db2.gz AYFXQTPFDNXAIW-HUUCEWRRSA-N 2 0 367.921 3.387 20 0 FGADRP CC[NH+]1CCN([C@@H]2CC[N@H+](CCCOc3ccc(C(C)(C)C)cc3)C2)CC1 ZINC000107371363 495526103 /nfs/dbraw/zinc/52/61/03/495526103.db2.gz YYWKMLARJQVTSU-OAQYLSRUSA-N 2 0 373.585 3.465 20 0 FGADRP Cc1cc([C@@H](C)[NH2+]Cc2cccnc2N2CC[NH+](C)CC2)cc(C)c1F ZINC000158539933 495533777 /nfs/dbraw/zinc/53/37/77/495533777.db2.gz SPLAQXCFDVSZQP-QGZVFWFLSA-N 2 0 356.489 3.440 20 0 FGADRP CC[NH+]1CCN(CCC[NH2+][C@H](C)c2ccccc2OC(F)(F)F)CC1 ZINC000154234618 495553708 /nfs/dbraw/zinc/55/37/08/495553708.db2.gz WOKICYZSLVBZIK-OAHLLOKOSA-N 2 0 359.436 3.263 20 0 FGADRP CCCc1ccc(C(=O)N2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)cc1 ZINC000154320274 495579875 /nfs/dbraw/zinc/57/98/75/495579875.db2.gz ROWJUSNRSNDEPQ-WCRBZPEASA-N 2 0 355.526 3.022 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000185481652 495593251 /nfs/dbraw/zinc/59/32/51/495593251.db2.gz WERHQQSXTPTLBP-GOSISDBHSA-N 2 0 352.567 3.062 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](C[C@H](O)COc2ccccc2)CC1 ZINC000158871907 495606633 /nfs/dbraw/zinc/60/66/33/495606633.db2.gz PZCQKJDRLFOELN-CTNGQTDRSA-N 2 0 360.542 3.403 20 0 FGADRP CCC[NH+]1CCC(CNC(=O)N[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)CC1 ZINC000182575411 495622628 /nfs/dbraw/zinc/62/26/28/495622628.db2.gz PTWXBUUHRQSWDT-MJGOQNOKSA-N 2 0 364.578 3.061 20 0 FGADRP COC[C@H]([NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1ccc(F)c(F)c1 ZINC000182666118 495655804 /nfs/dbraw/zinc/65/58/04/495655804.db2.gz GPDCODMUXAYVQU-CLCXKQKWSA-N 2 0 356.457 3.131 20 0 FGADRP COc1ccc(Cl)cc1[C@H](C)[NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000159197032 495681823 /nfs/dbraw/zinc/68/18/23/495681823.db2.gz TZQYEHKXIPZFOQ-HNNXBMFYSA-N 2 0 374.916 3.346 20 0 FGADRP CCC[NH+]1CCC(N(C)C(=O)NC[C@@H](C(CC)CC)[NH+]2CCCC2)CC1 ZINC000171035071 495698729 /nfs/dbraw/zinc/69/87/29/495698729.db2.gz DEWKQXLMCFSZHI-FQEVSTJZSA-N 2 0 366.594 3.403 20 0 FGADRP COC[C@@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1cccc(C(F)(F)F)c1 ZINC000150980827 495701345 /nfs/dbraw/zinc/70/13/45/495701345.db2.gz KJSBCEAKEFVMOB-GOSISDBHSA-N 2 0 373.463 3.009 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1)c1ccsc1 ZINC000173823545 495708815 /nfs/dbraw/zinc/70/88/15/495708815.db2.gz IVMUIYNJFYANIB-BPQIPLTHSA-N 2 0 366.575 3.255 20 0 FGADRP CCC[N@@H+]1CC[C@H](C[NH2+]C2CCN(C(=O)c3ccccc3Cl)CC2)C1 ZINC000151096347 495737116 /nfs/dbraw/zinc/73/71/16/495737116.db2.gz FMBFOQJFECITDQ-MRXNPFEDSA-N 2 0 363.933 3.266 20 0 FGADRP Cc1ccc(OCCC[N@H+]2CCCC[C@H](N3CCN(C)CC3)C2)cc1C ZINC000182902165 495749099 /nfs/dbraw/zinc/74/90/99/495749099.db2.gz NBNGGXHKKFLZQK-NRFANRHFSA-N 2 0 359.558 3.174 20 0 FGADRP Cc1cc(C[NH2+][C@@H](C)CCN2CC[NH+](C)CC2)cc(C)c1OC(F)F ZINC000185866517 495757043 /nfs/dbraw/zinc/75/70/43/495757043.db2.gz PHUHBBUSLAZVJG-INIZCTEOSA-N 2 0 355.473 3.020 20 0 FGADRP COc1ccc(C[NH+]2CCC(CC[NH3+])CC2)c(Br)c1OC ZINC000568891775 505801946 /nfs/dbraw/zinc/80/19/46/505801946.db2.gz YGDJHJBEFWHQLD-UHFFFAOYSA-N 2 0 357.292 3.027 20 0 FGADRP COc1cc(-c2ccccc2)ccc1C[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000183045299 495811288 /nfs/dbraw/zinc/81/12/88/495811288.db2.gz DOZYQNZPVLYXRX-UHFFFAOYSA-N 2 0 367.537 3.478 20 0 FGADRP CCC(CC)[C@@H](CNC(=O)N1CC[C@H](C[NH+]2CCCC2)C1)[NH+]1CCCC1 ZINC000174142133 495835734 /nfs/dbraw/zinc/83/57/34/495835734.db2.gz AHGYHAQMTFLPRM-UYAOXDASSA-N 2 0 364.578 3.014 20 0 FGADRP CC[NH+]1CCN(CCCC[NH2+][C@@H](c2ccccc2)c2ccccn2)CC1 ZINC000180110217 495861259 /nfs/dbraw/zinc/86/12/59/495861259.db2.gz DSROGKUMTHBUQS-QFIPXVFZSA-N 2 0 352.526 3.178 20 0 FGADRP CC[NH+]1CCN(CCC[NH2+][C@@H](c2ccccc2)c2ccc(OC)cc2)CC1 ZINC000180108858 495861631 /nfs/dbraw/zinc/86/16/31/495861631.db2.gz FCYQRVZQIWGTDY-QHCPKHFHSA-N 2 0 367.537 3.402 20 0 FGADRP COc1ccsc1[C@H](C)[NH2+]Cc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000186117419 495862294 /nfs/dbraw/zinc/86/22/94/495862294.db2.gz SQHKPTNMAUSWBE-INIZCTEOSA-N 2 0 359.539 3.355 20 0 FGADRP Cc1noc(C)c1C[NH2+]CCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000176983969 495869953 /nfs/dbraw/zinc/86/99/53/495869953.db2.gz MXLVLTRJSRKAOD-UHFFFAOYSA-N 2 0 357.498 3.452 20 0 FGADRP CN(C)C(=O)C1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CCCC1 ZINC000180139302 495875612 /nfs/dbraw/zinc/87/56/12/495875612.db2.gz TZFNQVFFTZZDIZ-SEJPIABJSA-N 2 0 369.553 3.420 20 0 FGADRP CCC[N@H+](C)C[C@@H]1CC[NH+](C[C@H](O)CO[C@@H](C)c2ccc(Cl)cc2)C1 ZINC000177035327 495894784 /nfs/dbraw/zinc/89/47/84/495894784.db2.gz XHRIIOYZKGPJEU-ZWOKBUDYSA-N 2 0 368.949 3.442 20 0 FGADRP CC(C)C(=O)NCCC[NH2+][C@@H]1CCCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000571768759 505810707 /nfs/dbraw/zinc/81/07/07/505810707.db2.gz NNUZOZQFEOXFIH-BHIFYINESA-N 2 0 371.569 3.429 20 0 FGADRP CCN(CC)C(=O)[C@H](C)N(C)C[C@@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000580677073 505811283 /nfs/dbraw/zinc/81/12/83/505811283.db2.gz OAQSQQPHOQRUCH-IRXDYDNUSA-N 2 0 351.560 3.067 20 0 FGADRP Cc1ccc([C@@H](CNC(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)[NH+]2CCCC2)cc1 ZINC000174453613 495965695 /nfs/dbraw/zinc/96/56/95/495965695.db2.gz ZHWAWQLSNMQIHH-HMXCVIKNSA-N 2 0 372.557 3.256 20 0 FGADRP C[C@H](c1ccc2ccccc2c1)[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000171656402 495974953 /nfs/dbraw/zinc/97/49/53/495974953.db2.gz KRCZBDGVILJOII-QGZVFWFLSA-N 2 0 353.510 3.291 20 0 FGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H]2CCc3[nH]c4ccc(C)cc4c3C2)CC1 ZINC000180441256 495997205 /nfs/dbraw/zinc/99/72/05/495997205.db2.gz VBNDAEBECIBRTA-RTBURBONSA-N 2 0 368.569 3.197 20 0 FGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@H]2CCc3[nH]c4ccc(C)cc4c3C2)CC1 ZINC000180441282 495997709 /nfs/dbraw/zinc/99/77/09/495997709.db2.gz VBNDAEBECIBRTA-OALUTQOASA-N 2 0 368.569 3.197 20 0 FGADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H]2CCCOc3c(Cl)cccc32)CC1 ZINC000155600784 496008781 /nfs/dbraw/zinc/00/87/81/496008781.db2.gz DCFJHTIRBJIYOA-YJBOKZPZSA-N 2 0 351.922 3.169 20 0 FGADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C1CCN(C(=O)NC2CCCCC2)CC1 ZINC000574629972 505819146 /nfs/dbraw/zinc/81/91/46/505819146.db2.gz JYVQUOLCQYVZGC-XLIONFOSSA-N 2 0 364.578 3.394 20 0 FGADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H](C)c2cc(Cl)c(OC)cc2OC)CC1 ZINC000155717198 496045582 /nfs/dbraw/zinc/04/55/82/496045582.db2.gz DQMHKDYLQIELJM-GJZGRUSLSA-N 2 0 369.937 3.034 20 0 FGADRP C[C@@H]([NH2+][C@@H](C)CCN1CC[NH+](C)CC1)c1ccccc1OC(F)(F)F ZINC000186565601 496047275 /nfs/dbraw/zinc/04/72/75/496047275.db2.gz DUVIPXMBJZCPFH-LSDHHAIUSA-N 2 0 359.436 3.262 20 0 FGADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@H](C)c1ccccc1OC(F)(F)F ZINC000186565618 496047593 /nfs/dbraw/zinc/04/75/93/496047593.db2.gz DUVIPXMBJZCPFH-HUUCEWRRSA-N 2 0 359.436 3.262 20 0 FGADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@H](C)c1ccc(F)cc1Br ZINC000186586449 496057722 /nfs/dbraw/zinc/05/77/22/496057722.db2.gz ZELLOPHXASERNC-ZIAGYGMSSA-N 2 0 372.326 3.265 20 0 FGADRP C[NH+]1CCN(c2cc(C[NH2+]CC3CCC(C(F)(F)F)CC3)ccn2)CC1 ZINC000186591403 496060352 /nfs/dbraw/zinc/06/03/52/496060352.db2.gz CMBQVBSQNDASEA-UHFFFAOYSA-N 2 0 370.463 3.292 20 0 FGADRP C[NH+](C)Cc1cccc(C(=O)NC2CC[NH+](Cc3ccccc3F)CC2)c1 ZINC000155854361 496088719 /nfs/dbraw/zinc/08/87/19/496088719.db2.gz GUXURXBWRYLIRO-UHFFFAOYSA-N 2 0 369.484 3.282 20 0 FGADRP C[C@@H]([NH2+]Cc1ccccc1-n1ccnc1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000152242513 496092379 /nfs/dbraw/zinc/09/23/79/496092379.db2.gz OWMQAHUAFJAGSG-CQSZACIVSA-N 2 0 373.453 3.266 20 0 FGADRP O=C(C[NH+]1C[C@@H]2CCCC[C@H]2C1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000177513877 496093034 /nfs/dbraw/zinc/09/30/34/496093034.db2.gz LSYYOHQDOJVLSI-SFTDATJTSA-N 2 0 355.526 3.021 20 0 FGADRP CC[NH+](CC)Cc1ccccc1CNC(=O)N1CC[C@@H]([NH+](CC)CC)C1 ZINC000174786061 496106526 /nfs/dbraw/zinc/10/65/26/496106526.db2.gz LAMUFJAPESPTSS-HXUWFJFHSA-N 2 0 360.546 3.154 20 0 FGADRP CC[NH+]1CCN(Cc2ccccc2C[NH2+]Cc2cc(OC)ccc2F)CC1 ZINC000577941104 505823527 /nfs/dbraw/zinc/82/35/27/505823527.db2.gz CKJRKDPIUTWSCK-UHFFFAOYSA-N 2 0 371.500 3.262 20 0 FGADRP C[C@H]1C[C@@H](N(C)C(=O)CCC2CC[NH2+]CC2)CC[N@@H+]1Cc1ccccc1 ZINC000155985373 496125843 /nfs/dbraw/zinc/12/58/43/496125843.db2.gz XEOFXNLOWHFYKB-RXVVDRJESA-N 2 0 357.542 3.278 20 0 FGADRP Cc1c([C@H](C)NC[C@H]2CC[N@@H+](C3CC3)C2)nnn1-c1cccc(Cl)c1 ZINC000152367843 496128967 /nfs/dbraw/zinc/12/89/67/496128967.db2.gz BUBIHEYTDNNRLP-DZGCQCFKSA-N 2 0 359.905 3.364 20 0 FGADRP c1c(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)[nH]nc1-c1ccccc1 ZINC000180795445 496149547 /nfs/dbraw/zinc/14/95/47/496149547.db2.gz JKMDCQIUPVJBAZ-UHFFFAOYSA-N 2 0 368.525 3.401 20 0 FGADRP c1ccc2c(c1)C=C(C[NH+]1CCC(CCC[NH+]3CCOCC3)CC1)CO2 ZINC000180796648 496150258 /nfs/dbraw/zinc/15/02/58/496150258.db2.gz RLKCNBVBJYHIPH-UHFFFAOYSA-N 2 0 356.510 3.287 20 0 FGADRP c1[nH]nc(-c2ccccc2)c1C[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000180796227 496150474 /nfs/dbraw/zinc/15/04/74/496150474.db2.gz ZWQYXGPMXHXYDZ-UHFFFAOYSA-N 2 0 368.525 3.401 20 0 FGADRP O=C(NCc1ccccc1-n1ccnc1)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000177693009 496161217 /nfs/dbraw/zinc/16/12/17/496161217.db2.gz JXCCVACHCHWOHB-SFHVURJKSA-N 2 0 352.482 3.143 20 0 FGADRP c1nc(-c2ccncc2)sc1C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000569013515 505830684 /nfs/dbraw/zinc/83/06/84/505830684.db2.gz DJRVBLDFFFKVFP-UHFFFAOYSA-N 2 0 372.538 3.282 20 0 FGADRP CC(C)N(CC[NH+](C)C)C(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000152686950 496226651 /nfs/dbraw/zinc/22/66/51/496226651.db2.gz FWLQOEOZPGMQLX-UHFFFAOYSA-N 2 0 352.567 3.011 20 0 FGADRP C[C@H](C[NH2+][C@H]1CCN(Cc2ccccn2)C[C@H]1C)N1CCc2ccccc21 ZINC000177867524 496231727 /nfs/dbraw/zinc/23/17/27/496231727.db2.gz LMMDLQSYBSCGOM-KNKQGSTJSA-N 2 0 364.537 3.333 20 0 FGADRP C[NH+](C)CCNC(=O)c1ccc(C[NH2+][C@@H]2CC(C)(C)c3ccccc32)cc1 ZINC000180997269 496234281 /nfs/dbraw/zinc/23/42/81/496234281.db2.gz JLQRXHSKKCRONU-OAQYLSRUSA-N 2 0 365.521 3.490 20 0 FGADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)NCC(C)(C)[NH2+][C@@H](C)c2ccccc2)C1 ZINC000177877111 496235142 /nfs/dbraw/zinc/23/51/42/496235142.db2.gz XMJLPUOTAWLATB-ROUUACIJSA-N 2 0 360.546 3.099 20 0 FGADRP COC(=O)c1ccccc1CC[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000187101942 496294542 /nfs/dbraw/zinc/29/45/42/496294542.db2.gz VQKDUZZFHVDPQS-HXUWFJFHSA-N 2 0 366.505 3.470 20 0 FGADRP CC[NH+]1CCN(c2cccc(NC(=O)[C@H](C)[NH+]3CCCCCC3)c2)CC1 ZINC000184258102 496307061 /nfs/dbraw/zinc/30/70/61/496307061.db2.gz NVLOWWGFJMXOMR-SFHVURJKSA-N 2 0 358.530 3.032 20 0 FGADRP C[NH+](C)[C@H](CNC(=O)N1CC[NH+](C2CCCCC2)CC1)c1cccs1 ZINC000178090778 496325816 /nfs/dbraw/zinc/32/58/16/496325816.db2.gz VKARITGMJDDYDI-QGZVFWFLSA-N 2 0 364.559 3.011 20 0 FGADRP C[NH+](C)Cc1cccc(C(=O)NC(C)(C)C[N@H+](C)Cc2ccccc2)c1 ZINC000153112579 496357692 /nfs/dbraw/zinc/35/76/92/496357692.db2.gz KQGZSMLJOJFICC-UHFFFAOYSA-N 2 0 353.510 3.389 20 0 FGADRP CC[NH+](CC)[C@H]1CCN(C(=O)NCc2ccccc2C[N@H+](C)C(C)C)C1 ZINC000175401154 496374706 /nfs/dbraw/zinc/37/47/06/496374706.db2.gz JAYKHIMSBHRMOG-FQEVSTJZSA-N 2 0 360.546 3.153 20 0 FGADRP CC[NH+]1CCC([NH2+]C[C@H](O)Cn2c3ccccc3c3ccccc32)CC1 ZINC000578006846 505840415 /nfs/dbraw/zinc/84/04/15/505840415.db2.gz VKSJXTSCOGCFKV-SFHVURJKSA-N 2 0 351.494 3.229 20 0 FGADRP CC(C)[NH+]1CCC(NC(=O)N(Cc2ccccc2)C2CC[NH+](C)CC2)CC1 ZINC000175555201 496440868 /nfs/dbraw/zinc/44/08/68/496440868.db2.gz WSMUUFVFIUYQPK-UHFFFAOYSA-N 2 0 372.557 3.165 20 0 FGADRP C[NH+](C)[C@@H](CNC(=O)C[N@@H+]1CCC[C@@H]1c1ccccc1)c1ccccc1 ZINC000184566576 496442565 /nfs/dbraw/zinc/44/25/65/496442565.db2.gz YVTVJQATZMHCEW-RTWAWAEBSA-N 2 0 351.494 3.243 20 0 FGADRP C[C@@H]1C[C@H](NC(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)CC[NH+]1Cc1ccccc1 ZINC000175641935 496478922 /nfs/dbraw/zinc/47/89/22/496478922.db2.gz QNTQDWKCCSDOGA-VURPSTOHSA-N 2 0 372.557 3.164 20 0 FGADRP CC[NH+](CC)Cc1cccc(CNC(=O)NC[C@@H]2CC[N@H+](CC(C)C)C2)c1 ZINC000157524936 496495203 /nfs/dbraw/zinc/49/52/03/496495203.db2.gz AMSGLPGLBQORCK-NRFANRHFSA-N 2 0 374.573 3.306 20 0 FGADRP COc1ccc(OC2CC[NH+](Cc3ccc4c(c3)C[NH2+]CC4)CC2)cc1 ZINC000571928815 505847629 /nfs/dbraw/zinc/84/76/29/505847629.db2.gz HRLWBIWXNMLYPK-UHFFFAOYSA-N 2 0 352.478 3.384 20 0 FGADRP C[C@@H]([NH2+][C@@H](C)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1)C(C)(C)C ZINC000163332559 496499889 /nfs/dbraw/zinc/49/98/89/496499889.db2.gz RSZNDYIWYYVTHW-JKSUJKDBSA-N 2 0 369.575 3.002 20 0 FGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC2(c3ccccc3)CCOCC2)[C@H](C)C1 ZINC000153603027 496514519 /nfs/dbraw/zinc/51/45/19/496514519.db2.gz IWXMGZYSTAQFTE-IFMALSPDSA-N 2 0 374.569 3.461 20 0 FGADRP CC[NH+](CC)Cc1cccc(CNC(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)c1 ZINC000175749529 496528304 /nfs/dbraw/zinc/52/83/04/496528304.db2.gz UDKLJWMBJZJHMM-WOJBJXKFSA-N 2 0 360.546 3.200 20 0 FGADRP [NH3+][C@@H]1CCCCCC[C@H]1C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000178688791 496541689 /nfs/dbraw/zinc/54/16/89/496541689.db2.gz GXIRGBHHKMWQKD-NHCUHLMSSA-N 2 0 357.542 3.107 20 0 FGADRP COc1ccc([C@H](C)[NH2+]C[C@H](C)Cn2ccnc2C)cc1Cn1cccn1 ZINC000178704864 496546093 /nfs/dbraw/zinc/54/60/93/496546093.db2.gz XFPPTUUOAKAOHX-IRXDYDNUSA-N 2 0 367.497 3.432 20 0 FGADRP [NH3+][C@H]1CCCCCC[C@H]1C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000178731649 496553320 /nfs/dbraw/zinc/55/33/20/496553320.db2.gz HSFVRZPCTIPZSB-RTWAWAEBSA-N 2 0 357.542 3.313 20 0 FGADRP COCC[N@H+](C)CCC[NH2+][C@H](C)c1ccc(OC)c(Br)c1 ZINC000153723714 496558598 /nfs/dbraw/zinc/55/85/98/496558598.db2.gz HTOBUSBXUWOIII-CYBMUJFWSA-N 2 0 359.308 3.077 20 0 FGADRP Cc1cc(C)n2c(C[NH2+]Cc3cccc(C[N@@H+](C)C(C)C)c3)cnc2n1 ZINC000178884842 496605001 /nfs/dbraw/zinc/60/50/01/496605001.db2.gz JSJPVOMLGLIICP-UHFFFAOYSA-N 2 0 351.498 3.476 20 0 FGADRP CCC[NH+]1CCC([N@H+](C)C[C@H](O)COc2ccccc2C(F)(F)F)CC1 ZINC000181945536 496608204 /nfs/dbraw/zinc/60/82/04/496608204.db2.gz LOOFSHDIAWQFCW-INIZCTEOSA-N 2 0 374.447 3.251 20 0 FGADRP C[C@@H](CCNC(=O)NC1CC[NH+](CC2CCCC2)CC1)[NH+]1CCCCC1 ZINC000184978979 496609389 /nfs/dbraw/zinc/60/93/89/496609389.db2.gz VAXMSUPNDYSCRD-SFHVURJKSA-N 2 0 364.578 3.205 20 0 FGADRP CC[NH+]1CCN(CCC[NH2+][C@H](C)c2cccc(Br)c2)CC1 ZINC000173319022 496641152 /nfs/dbraw/zinc/64/11/52/496641152.db2.gz YNLBKRDLIKIYTL-OAHLLOKOSA-N 2 0 354.336 3.127 20 0 FGADRP Cc1ccc([C@H](CNC(=O)N(CC[NH+](C)C)C(C)C)[NH+]2CCCC2)cc1 ZINC000158209055 496650782 /nfs/dbraw/zinc/65/07/82/496650782.db2.gz JSPVOSNKWOTBCH-FQEVSTJZSA-N 2 0 360.546 3.114 20 0 FGADRP C[C@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000158260512 496663297 /nfs/dbraw/zinc/66/32/97/496663297.db2.gz ZGSBATQOVPGBDV-DLBZAZTESA-N 2 0 364.555 3.395 20 0 FGADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H](C)c1ccc(OC)c(Br)c1 ZINC000165929633 496672699 /nfs/dbraw/zinc/67/26/99/496672699.db2.gz WWQCJXFSACWDQZ-UKRRQHHQSA-N 2 0 373.335 3.465 20 0 FGADRP Cc1ccc(OC[C@@H](O)C[NH2+]Cc2ccc(C[NH+](C)C)c(F)c2)c(C)c1 ZINC000580888466 505861956 /nfs/dbraw/zinc/86/19/56/505861956.db2.gz NRSULMWZAIXTIK-IBGZPJMESA-N 2 0 360.473 3.034 20 0 FGADRP COc1cccc(C[NH2+][C@H](C)c2cccc(OCC[NH+](C)C)c2)c1OC ZINC000165952500 496674643 /nfs/dbraw/zinc/67/46/43/496674643.db2.gz BBVSTUJHOHWXEX-MRXNPFEDSA-N 2 0 358.482 3.495 20 0 FGADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)NC[C@@H](c2ccc(CC)cc2)[NH+](C)C)C1 ZINC000173412013 496680910 /nfs/dbraw/zinc/68/09/10/496680910.db2.gz LFTWXNQNACBLTM-CTNGQTDRSA-N 2 0 374.573 3.225 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)[C@@H]1CCC[NH2+]C1)c1ccc(C(F)(F)F)cc1 ZINC000166241925 496681031 /nfs/dbraw/zinc/68/10/31/496681031.db2.gz XLLXRDNTUUNDKW-NVXWUHKLSA-N 2 0 371.447 3.204 20 0 FGADRP COc1cc2[nH]c(CCC[NH2+][C@H]3C[C@@H](C)[N@H+](C)C[C@H]3C)cc2c(OC)c1 ZINC000166342838 496685049 /nfs/dbraw/zinc/68/50/49/496685049.db2.gz PRQKYXAOBLFQNG-CLCXKQKWSA-N 2 0 359.514 3.436 20 0 FGADRP Brc1ccc(N2CC[C@@H]([NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)C2)cc1 ZINC000166481681 496687696 /nfs/dbraw/zinc/68/76/96/496687696.db2.gz FKZLFSGRAOKMEU-JFIYKMOQSA-N 2 0 364.331 3.244 20 0 FGADRP C[C@@H](CC(=O)N1CCC(C[N@H+](C)Cc2ccccc2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000167308240 496699898 /nfs/dbraw/zinc/69/98/98/496699898.db2.gz MORPGMHUCYPVBE-SIKLNZKXSA-N 2 0 371.569 3.383 20 0 FGADRP C[C@@H]([NH2+][C@H]1CCN(c2ncccc2F)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000168119195 496708867 /nfs/dbraw/zinc/70/88/67/496708867.db2.gz RPOMZDQRAWRVLF-AEFFLSMTSA-N 2 0 372.488 3.091 20 0 FGADRP C[C@H](C(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]([NH3+])c1ccccc1 ZINC000168706542 496711833 /nfs/dbraw/zinc/71/18/33/496711833.db2.gz ZVZSKLIPLNJNEK-VCOUNFBDSA-N 2 0 365.521 3.303 20 0 FGADRP CC(C)O[C@@H]1C[C@H]([NH2+]CC2(N3CCCCC3)CC[NH+](C)CC2)C1(C)C ZINC000185231681 496711855 /nfs/dbraw/zinc/71/18/55/496711855.db2.gz UECNWTYHAVJRHP-RBUKOAKNSA-N 2 0 351.579 3.118 20 0 FGADRP Cc1cc2cc([C@@H](C)[NH2+]CCCC[NH+]3CCN(CCO)CC3)oc2cc1C ZINC000168899856 496712908 /nfs/dbraw/zinc/71/29/08/496712908.db2.gz VQDAQXBITPSCCY-LJQANCHMSA-N 2 0 373.541 3.090 20 0 FGADRP COc1ccc([C@@H](C)[C@H](C)[NH2+]Cc2cccnc2N2CC[NH+](C)CC2)cc1 ZINC000158496220 496714071 /nfs/dbraw/zinc/71/40/71/496714071.db2.gz RHHVNYVFDFTZNW-ROUUACIJSA-N 2 0 368.525 3.124 20 0 FGADRP CC[C@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)c1cccc(F)c1 ZINC000188207545 496716171 /nfs/dbraw/zinc/71/61/71/496716171.db2.gz OTXDGKALLHFHSA-FQEVSTJZSA-N 2 0 357.473 3.358 20 0 FGADRP C[C@@H]1C[NH+](C)C[C@@H](C)N1C(=O)c1cccc(C[N@H+](C)Cc2ccccc2)c1 ZINC000179252199 496721218 /nfs/dbraw/zinc/72/12/18/496721218.db2.gz FTLHDMJOXUNGSX-RTBURBONSA-N 2 0 365.521 3.483 20 0 FGADRP CC1CC[NH+](C[C@@H]2CCCN(C(=O)c3ccc(C[NH+](C)C)cc3)C2)CC1 ZINC000263823313 496735730 /nfs/dbraw/zinc/73/57/30/496735730.db2.gz RFSVUVADPIHAJL-FQEVSTJZSA-N 2 0 357.542 3.332 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)CC1CC[NH+](C)CC1 ZINC000273192680 496735990 /nfs/dbraw/zinc/73/59/90/496735990.db2.gz JGVBKFXQAFSCPZ-GOSISDBHSA-N 2 0 357.542 3.409 20 0 FGADRP C[NH+](C)[C@H]1CCCN(C(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000277339479 496741232 /nfs/dbraw/zinc/74/12/32/496741232.db2.gz SIHMXKJPACGBRV-FQEVSTJZSA-N 2 0 357.542 3.231 20 0 FGADRP CC(C)[NH+]1CCN(CCCN2CCO[C@@H](c3ccc(Cl)cc3)C2)CC1 ZINC000191456195 496768758 /nfs/dbraw/zinc/76/87/58/496768758.db2.gz RCMFBXPDQMUKBU-HXUWFJFHSA-N 2 0 365.949 3.129 20 0 FGADRP c1csc([C@@H]([NH2+]CC2CCN(c3cc[nH+]cc3)CC2)c2ncc[nH]2)c1 ZINC000195064943 496810799 /nfs/dbraw/zinc/81/07/99/496810799.db2.gz OHYUAUMBJWCMOH-GOSISDBHSA-N 2 0 353.495 3.462 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)CSCc2cn3cc(C)ccc3n2)[C@@H](C)C1 ZINC000247259794 496817982 /nfs/dbraw/zinc/81/79/82/496817982.db2.gz DYTIBYFCRNYHIX-WMZOPIPTSA-N 2 0 374.554 3.065 20 0 FGADRP Cc1cccc(C[C@@H](CO)[NH2+][C@H](C)c2cccc(OCC[NH+](C)C)c2)c1 ZINC000191602873 496828610 /nfs/dbraw/zinc/82/86/10/496828610.db2.gz OTZGYVQCDSFCBK-NQIIRXRSSA-N 2 0 356.510 3.190 20 0 FGADRP CC[NH+]1CCC([NH2+]C[C@H](O)c2cccc(OCc3ccccc3)c2)CC1 ZINC000268991324 496843698 /nfs/dbraw/zinc/84/36/98/496843698.db2.gz GHBDWKRWEKDXNJ-QFIPXVFZSA-N 2 0 354.494 3.373 20 0 FGADRP C[C@@H]1CCC[C@](CNC(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)([NH+](C)C)C1 ZINC000247427389 496857390 /nfs/dbraw/zinc/85/73/90/496857390.db2.gz VSIVZWULTLMEGU-SBHAEUEKSA-N 2 0 364.578 3.157 20 0 FGADRP CC[C@H](C)[N@H+](C)CCNC(=O)N(C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000247432347 496858265 /nfs/dbraw/zinc/85/82/65/496858265.db2.gz WQEBATIQTAYKMR-ZVDOUQERSA-N 2 0 374.573 3.411 20 0 FGADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](Cc1ccccc1F)c1ccccc1 ZINC000191729662 496870640 /nfs/dbraw/zinc/87/06/40/496870640.db2.gz PXKMMFBALLLIHF-GCJKJVERSA-N 2 0 355.501 3.335 20 0 FGADRP CC1(C)CCC[C@@H]1[NH2+]CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000191859158 496912629 /nfs/dbraw/zinc/91/26/29/496912629.db2.gz SSQRNEYRUSOMLG-SFHVURJKSA-N 2 0 361.555 3.342 20 0 FGADRP C[N@@H+]1CC[C@H](NC(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)[C@@H]1c1ccccc1 ZINC000248058400 496948740 /nfs/dbraw/zinc/94/87/40/496948740.db2.gz ORJBFWMSXFFIND-HKBOAZHASA-N 2 0 370.541 3.092 20 0 FGADRP C[NH+](C)Cc1cccc(C[NH2+]Cc2cnn(Cc3ccc(F)cc3)c2)c1 ZINC000189021236 496981330 /nfs/dbraw/zinc/98/13/30/496981330.db2.gz QZJCNKHMWSYNBM-UHFFFAOYSA-N 2 0 352.457 3.422 20 0 FGADRP c1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH2+]CCCOC[C@H]4CCCO4)[C@@H]3C2)cc1 ZINC000248397331 496993891 /nfs/dbraw/zinc/99/38/91/496993891.db2.gz HYDIJNPXJDXMFD-AFXVXQJMSA-N 2 0 372.553 3.462 20 0 FGADRP C[C@H](CNC(=O)N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)C[NH+]1CCCCC1 ZINC000248407638 496999332 /nfs/dbraw/zinc/99/93/32/496999332.db2.gz UOFSFQPHQXNTHU-QYZOEREBSA-N 2 0 364.578 3.061 20 0 FGADRP C[C@@H]([NH2+]CCOCC(F)(F)C(F)F)c1cccc(OCC[NH+](C)C)c1 ZINC000278180444 497029130 /nfs/dbraw/zinc/02/91/30/497029130.db2.gz BLSYKZBIPRAEOI-CYBMUJFWSA-N 2 0 366.399 3.195 20 0 FGADRP CCC[NH+](CCC)CCCC(=O)NC1CC[NH+](Cc2cccnc2)CC1 ZINC000265128295 497053806 /nfs/dbraw/zinc/05/38/06/497053806.db2.gz FCXJBBATTXIBIJ-UHFFFAOYSA-N 2 0 360.546 3.064 20 0 FGADRP C[N@@H+]1CCC[C@@H](CNC(=O)C2CC[NH+](C3CC3)CC2)[C@H]1c1cccs1 ZINC000248734393 497093263 /nfs/dbraw/zinc/09/32/63/497093263.db2.gz NFVWWGKRWGRTNT-LPHOPBHVSA-N 2 0 361.555 3.122 20 0 FGADRP CCCN(Cc1cc(Br)cc2c1OCC2)C1CC[NH2+]CC1 ZINC000228494381 497095036 /nfs/dbraw/zinc/09/50/36/497095036.db2.gz GVCFBGFKWMJMNT-UHFFFAOYSA-N 2 0 353.304 3.348 20 0 FGADRP C[NH+]1CCC(CC[NH2+]Cc2ccc(I)cc2)CC1 ZINC000229941344 497101803 /nfs/dbraw/zinc/10/18/03/497101803.db2.gz QZGWFTAAGOOJST-UHFFFAOYSA-N 2 0 358.267 3.113 20 0 FGADRP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)c1cc(Cl)c(N)c(Cl)c1 ZINC000270414762 497122996 /nfs/dbraw/zinc/12/29/96/497122996.db2.gz CVFKPYUJDXQPDA-GXTWGEPZSA-N 2 0 360.329 3.463 20 0 FGADRP CC1CC[NH+](Cc2ccc(CNC(=O)c3ccc(C[NH3+])cc3)cc2)CC1 ZINC000236634954 497124672 /nfs/dbraw/zinc/12/46/72/497124672.db2.gz MIWALHJGGSRQQI-UHFFFAOYSA-N 2 0 351.494 3.307 20 0 FGADRP C[NH+](C)C[C@@H]1CCN(C(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)C1 ZINC000265510043 497129959 /nfs/dbraw/zinc/12/99/59/497129959.db2.gz QUCPBKBXPZBXON-IBGZPJMESA-N 2 0 358.530 3.130 20 0 FGADRP c1cc2c(cccc2C[NH2+]CCCN2CC[NH+](Cc3ccccc3)CC2)[nH]1 ZINC000236713349 497137305 /nfs/dbraw/zinc/13/73/05/497137305.db2.gz VQSBODJVMLPZSB-UHFFFAOYSA-N 2 0 362.521 3.465 20 0 FGADRP Cc1cnccc1OC1CCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000278517729 497141045 /nfs/dbraw/zinc/14/10/45/497141045.db2.gz FSJNFEGRQQEYCX-SFHVURJKSA-N 2 0 371.525 3.414 20 0 FGADRP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000248974381 497143291 /nfs/dbraw/zinc/14/32/91/497143291.db2.gz HHBAEKFGIDIMMO-RTWAWAEBSA-N 2 0 372.557 3.023 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)[C@@H]([NH3+])C(C)C)c1ccc(C(F)(F)F)cc1 ZINC000236826892 497152477 /nfs/dbraw/zinc/15/24/77/497152477.db2.gz DYSJPLFCEAZMNQ-HOTGVXAUSA-N 2 0 359.436 3.188 20 0 FGADRP CCC(CC)(CNC(=O)C[C@H]1CSCC[NH2+]1)[NH2+][C@H](C)c1ccccc1 ZINC000236846016 497156159 /nfs/dbraw/zinc/15/61/59/497156159.db2.gz VEXLHFLRMZYRJK-AEFFLSMTSA-N 2 0 363.571 3.107 20 0 FGADRP C[NH+](C)CCn1ccc2ccc(NC(=O)C3CC[NH+](C4CC4)CC3)cc21 ZINC000192585127 497156459 /nfs/dbraw/zinc/15/64/59/497156459.db2.gz FSAQGFOLVSGOIA-UHFFFAOYSA-N 2 0 354.498 3.016 20 0 FGADRP CCOc1ccc(C(=O)N2CCC([NH2+]C3CC[NH+](C(C)C)CC3)CC2)cc1 ZINC000236953157 497172319 /nfs/dbraw/zinc/17/23/19/497172319.db2.gz AVRLVSHESKBQPH-UHFFFAOYSA-N 2 0 373.541 3.152 20 0 FGADRP COc1ccc(C[NH+]2CCC(C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)cc1 ZINC000192778474 497211900 /nfs/dbraw/zinc/21/19/00/497211900.db2.gz YSJNABXWLKXKMZ-SEJPIABJSA-N 3 0 357.542 3.122 20 0 FGADRP CN(C(=O)C[C@H]([NH3+])c1ccccc1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000237269628 497213654 /nfs/dbraw/zinc/21/36/54/497213654.db2.gz LWCJBEPKTDCGGA-RTWAWAEBSA-N 2 0 351.494 3.200 20 0 FGADRP C[N@@H+]1CCC[C@@H]2C[NH+](C[C@@]3(C)CCN(C(=O)OC(C)(C)C)C3)CC[C@@H]21 ZINC000249515456 497215375 /nfs/dbraw/zinc/21/53/75/497215375.db2.gz QMVNWTBWVSEIIW-FUHIMQAGSA-N 2 0 351.535 3.050 20 0 FGADRP C[C@@H](CC(=O)Nc1ccc2ccn(CC[NH+](C)C)c2c1)[C@@H]1CCC[NH2+]C1 ZINC000237382010 497228919 /nfs/dbraw/zinc/22/89/19/497228919.db2.gz ODQNECRPGSYMDA-FUHWJXTLSA-N 2 0 356.514 3.167 20 0 FGADRP C[C@@H]([NH2+]C1(CNC(=O)[C@@H]([NH3+])c2ccccc2)CCCC1)c1ccccc1 ZINC000237401606 497231297 /nfs/dbraw/zinc/23/12/97/497231297.db2.gz NZMKEBLFLUEKPV-XLIONFOSSA-N 2 0 351.494 3.466 20 0 FGADRP C[C@@H](CC(=O)NCC1CC[NH+](Cc2cccs2)CC1)[C@H]1CCC[NH2+]C1 ZINC000237416323 497233489 /nfs/dbraw/zinc/23/34/89/497233489.db2.gz XKODLLYDWXIIHS-WMZOPIPTSA-N 2 0 363.571 3.102 20 0 FGADRP C[C@H](C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1)[C@@H]([NH3+])c1ccccc1 ZINC000237441829 497238314 /nfs/dbraw/zinc/23/83/14/497238314.db2.gz MYLHPDRKIKHPSZ-IOMROCGXSA-N 2 0 351.494 3.276 20 0 FGADRP C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)[C@@H](C[NH3+])c2ccccc2)C1 ZINC000237472457 497242516 /nfs/dbraw/zinc/24/25/16/497242516.db2.gz JNOALMZWHSKYBZ-GCJKJVERSA-N 2 0 365.521 3.277 20 0 FGADRP C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000249759870 497244378 /nfs/dbraw/zinc/24/43/78/497244378.db2.gz FXWKIGPZYNSPGJ-OALUTQOASA-N 2 0 372.557 3.071 20 0 FGADRP Cc1cc(C[NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)ccc1-n1cncn1 ZINC000192924061 497247646 /nfs/dbraw/zinc/24/76/46/497247646.db2.gz OVBUNKMTJZDBAA-OAQYLSRUSA-N 2 0 361.493 3.187 20 0 FGADRP Cn1cc(C[NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c(-c2cccnc2)n1 ZINC000192932285 497250478 /nfs/dbraw/zinc/25/04/78/497250478.db2.gz PPIVNXDJUPEKDD-IBGZPJMESA-N 2 0 361.493 3.094 20 0 FGADRP CC1(C)CC(NCc2c(Cl)cccc2S(C)(=O)=O)CC(C)(C)[NH2+]1 ZINC000275191014 497251980 /nfs/dbraw/zinc/25/19/80/497251980.db2.gz OWFXSTNSDSUDNW-UHFFFAOYSA-N 2 0 358.935 3.142 20 0 FGADRP Cc1cc(NC(=O)C[C@@H](C)[C@H]2CCC[NH2+]C2)ccc1OCC[NH+]1CCCC1 ZINC000237560685 497255792 /nfs/dbraw/zinc/25/57/92/497255792.db2.gz MSYPELXEMJVJAZ-MJGOQNOKSA-N 2 0 373.541 3.434 20 0 FGADRP C[C@@]1(C(=O)NCC2CC[NH+](Cc3ccccc3Cl)CC2)CCC[NH2+]C1 ZINC000237577253 497257835 /nfs/dbraw/zinc/25/78/35/497257835.db2.gz KAWSFRQQVDDEMD-HXUWFJFHSA-N 2 0 363.933 3.058 20 0 FGADRP Cc1cccc(OC[C@@H](O)CN2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)c1 ZINC000250292262 497265050 /nfs/dbraw/zinc/26/50/50/497265050.db2.gz UYABDRQOUVHPIA-SFTDATJTSA-N 2 0 360.542 3.179 20 0 FGADRP CCN(CCC[NH+](C)C)C(=O)NC1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000189937068 497299149 /nfs/dbraw/zinc/29/91/49/497299149.db2.gz NCPIWKNZNDPDCS-OALUTQOASA-N 2 0 374.573 3.126 20 0 FGADRP [NH3+][C@H](CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)c1ccccc1 ZINC000237883810 497306801 /nfs/dbraw/zinc/30/68/01/497306801.db2.gz IVTDFWWLTJDTNB-LJQANCHMSA-N 2 0 355.507 3.264 20 0 FGADRP Cc1nn(C)c2ncc(C[NH2+]CC3CC[NH+](Cc4cccs4)CC3)cc12 ZINC000237887483 497308624 /nfs/dbraw/zinc/30/86/24/497308624.db2.gz FZCJYMOYSIAIDZ-UHFFFAOYSA-N 2 0 369.538 3.340 20 0 FGADRP Cc1ccc([C@@H](CNC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)[NH+]2CCCC2)cc1 ZINC000237968647 497321318 /nfs/dbraw/zinc/32/13/18/497321318.db2.gz WRDPRRZZSLUHGY-VCYXJBJXSA-N 2 0 355.526 3.169 20 0 FGADRP CC1CC[NH+](Cc2ccc(CNC(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)cc2)CC1 ZINC000279111536 497337676 /nfs/dbraw/zinc/33/76/76/497337676.db2.gz CAXLXSIFYPBEJK-RXVVDRJESA-N 2 0 357.542 3.265 20 0 FGADRP O=C(C1CC[NH2+]CC1)N1CC[N@H+](Cc2ccccc2)C2(CCCCC2)C1 ZINC000238109087 497340305 /nfs/dbraw/zinc/34/03/05/497340305.db2.gz WIUBOWIKFWMUIW-UHFFFAOYSA-N 2 0 355.526 3.033 20 0 FGADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NC[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000245404883 497389647 /nfs/dbraw/zinc/38/96/47/497389647.db2.gz QWVZSPWGAPWKJM-RTBURBONSA-N 2 0 374.573 3.400 20 0 FGADRP CCCC[C@@H](C(=O)Nc1cc(C)on1)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000245447316 497413087 /nfs/dbraw/zinc/41/30/87/497413087.db2.gz LZHPKHLVKXJNKL-SJORKVTESA-N 2 0 350.507 3.287 20 0 FGADRP C[C@H]1C[C@H]1c1ccc(C[NH+]2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)o1 ZINC000572167051 505905389 /nfs/dbraw/zinc/90/53/89/505905389.db2.gz OLVJPDGOBNVKFA-FXAWDEMLSA-N 2 0 373.541 3.217 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc(OC)c(OC)c2)[C@@H](C)C1 ZINC000245466353 497420304 /nfs/dbraw/zinc/42/03/04/497420304.db2.gz RDIKAWWXRGUYSO-LNLFQRSKSA-N 2 0 364.530 3.491 20 0 FGADRP C[C@@H]1CN(Cc2ccccn2)CC[C@H]1[NH2+]C[C@@H]1COC2(CCCCCC2)O1 ZINC000245555985 497453863 /nfs/dbraw/zinc/45/38/63/497453863.db2.gz CYWOQMTVTHZTGC-HMXCVIKNSA-N 2 0 373.541 3.348 20 0 FGADRP CC[NH+](CC)[C@H](C(=O)N1C[C@H](C[NH3+])C[C@H]1C)c1cccc(C(F)(F)F)c1 ZINC000261816477 497456866 /nfs/dbraw/zinc/45/68/66/497456866.db2.gz NCPKXCGQRCBQPW-KEYYUXOJSA-N 2 0 371.447 3.284 20 0 FGADRP CC[NH+](CC)CCOc1ccc(C[NH2+][C@H]2CCO[C@H](C)C2)cc1OC ZINC000271828088 497462037 /nfs/dbraw/zinc/46/20/37/497462037.db2.gz IRBQXXXPSGGNJQ-AEFFLSMTSA-N 2 0 350.503 3.073 20 0 FGADRP Cc1nn(C)c(C)c1CC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000245666860 497493414 /nfs/dbraw/zinc/49/34/14/497493414.db2.gz GTIHSRJLZIYHEP-WKCHPHFGSA-N 2 0 352.526 3.365 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N[C@H]1CC[NH+](C)[C@H]1c1ccccc1 ZINC000245665320 497493966 /nfs/dbraw/zinc/49/39/66/497493966.db2.gz QWTPADNXIWIOFR-GIVPXCGWSA-N 2 0 372.557 3.386 20 0 FGADRP Cc1n[nH]c(C)c1C[NH2+]CCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000267192172 497500286 /nfs/dbraw/zinc/50/02/86/497500286.db2.gz MUKPISUWDOERPI-UHFFFAOYSA-N 2 0 356.514 3.187 20 0 FGADRP O=C(CC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)N1CCCCC1 ZINC000245729667 497519175 /nfs/dbraw/zinc/51/91/75/497519175.db2.gz QATBLEYKBBPXBP-WKCHPHFGSA-N 2 0 355.526 3.174 20 0 FGADRP CC(C)(CNC(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCCCC1 ZINC000193929497 497523181 /nfs/dbraw/zinc/52/31/81/497523181.db2.gz MUEMOBOMZWSZJJ-FQEVSTJZSA-N 2 0 372.557 3.072 20 0 FGADRP Cc1ccc([C@H](CNC(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])[NH+]2CCCC2)cc1 ZINC000262253996 497530474 /nfs/dbraw/zinc/53/04/74/497530474.db2.gz IVLMQOFDHACFBR-HKHIRDCPSA-N 2 0 369.553 3.402 20 0 FGADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](c1ccc(Br)s1)C1CC1 ZINC000190602941 497540801 /nfs/dbraw/zinc/54/08/01/497540801.db2.gz VSTSRJNJXNWRDC-BLLLJJGKSA-N 2 0 372.376 3.187 20 0 FGADRP CC(=O)N1CCC[C@H](C[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000279860024 497567139 /nfs/dbraw/zinc/56/71/39/497567139.db2.gz SMWJTAVAQBOAOX-BXXSPATCSA-N 2 0 369.553 3.135 20 0 FGADRP C[C@H](CS(=O)(=O)c1ccccc1)[NH2+]CCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000245916382 497570361 /nfs/dbraw/zinc/57/03/61/497570361.db2.gz WPFIXUADUBZION-GUDVDZBRSA-N 2 0 366.571 3.197 20 0 FGADRP C[NH+](Cc1cccc(C[N@H+](C)C[C@H]2CCCOC2)c1)C[C@H]1CCCOC1 ZINC000245929560 497574769 /nfs/dbraw/zinc/57/47/69/497574769.db2.gz PLUHKUWFODIWDR-FGZHOGPDSA-N 2 0 360.542 3.403 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)[C@@H]([NH3+])c1ccc(C)cc1)c1cccc(OC)c1 ZINC000262607797 497582282 /nfs/dbraw/zinc/58/22/82/497582282.db2.gz BFSUXKQGCBVVDL-SFTDATJTSA-N 2 0 369.509 3.203 20 0 FGADRP C[N@@H+]1CCCN(CCC[NH2+][C@H]2CCc3c2cccc3Br)CC1 ZINC000245956530 497583073 /nfs/dbraw/zinc/58/30/73/497583073.db2.gz CSBVSOOTKDMKFD-SFHVURJKSA-N 2 0 366.347 3.054 20 0 FGADRP C[C@H](CCn1cccn1)[NH2+]Cc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000245967185 497587187 /nfs/dbraw/zinc/58/71/87/497587187.db2.gz NOMRAYUNUJGPTQ-GUDVDZBRSA-N 2 0 356.514 3.061 20 0 FGADRP Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000262632169 497587665 /nfs/dbraw/zinc/58/76/65/497587665.db2.gz FRKOFLUZROJZAM-DBVUQKKJSA-N 2 0 373.566 3.403 20 0 FGADRP C[C@H](CC(=O)NC1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C)C1CC[NH2+]CC1 ZINC000262641541 497590025 /nfs/dbraw/zinc/59/00/25/497590025.db2.gz KXIMRWICJQOTDE-GUDVDZBRSA-N 2 0 371.569 3.285 20 0 FGADRP Cc1ccc([C@H](CNC(=O)[C@H](C)[C@H]([NH3+])c2ccccc2)[NH+]2CCCC2)o1 ZINC000262642211 497590135 /nfs/dbraw/zinc/59/01/35/497590135.db2.gz LKVWDMQDYSDMJB-KPFFTGBYSA-N 2 0 355.482 3.177 20 0 FGADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1ccccc1C[NH+](C)C ZINC000581132703 505917176 /nfs/dbraw/zinc/91/71/76/505917176.db2.gz MMNKSXQFBSXUPF-PGRDOPGGSA-N 2 0 365.521 3.389 20 0 FGADRP Cc1cc(NC(=O)[C@@H](C)N2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)on1 ZINC000246070395 497611379 /nfs/dbraw/zinc/61/13/79/497611379.db2.gz SDJQMPJDGOLSLT-IAGOWNOFSA-N 2 0 362.518 3.287 20 0 FGADRP CC[NH+](CC)CCCNC(=O)C1CC[NH+](Cc2ccc(C)c(C)c2)CC1 ZINC000190818953 497613657 /nfs/dbraw/zinc/61/36/57/497613657.db2.gz NLUPGWQVESVKBT-UHFFFAOYSA-N 2 0 359.558 3.364 20 0 FGADRP C[C@H](NC(=O)CN(C)C[C@H]1CCC[N@H+](C)C1)c1ccc2c(c1)CCCC2 ZINC000246109650 497625218 /nfs/dbraw/zinc/62/52/18/497625218.db2.gz DRKNUCIIBSJANS-ROUUACIJSA-N 2 0 357.542 3.016 20 0 FGADRP [NH3+]Cc1cc(C(=O)NCCCC[NH+]2CCC(Cc3ccccc3)CC2)co1 ZINC000262820678 497628014 /nfs/dbraw/zinc/62/80/14/497628014.db2.gz YBUPYYWPNMLXFY-UHFFFAOYSA-N 2 0 369.509 3.203 20 0 FGADRP CNC(=O)c1cccc(C[NH2+][C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000272463097 497635104 /nfs/dbraw/zinc/63/51/04/497635104.db2.gz KPEAEMZLYSJHTE-UWJYYQICSA-N 2 0 351.494 3.046 20 0 FGADRP C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)[C@](C)([NH3+])c3ccccc3)cc2)C1 ZINC000262851595 497637057 /nfs/dbraw/zinc/63/70/57/497637057.db2.gz KDBVEYOSGONOHG-WZONZLPQSA-N 2 0 365.521 3.409 20 0 FGADRP C[NH+]1CCC(Nc2ccccc2NC(=O)C[C@H]([NH3+])c2ccccc2)CC1 ZINC000262853609 497637461 /nfs/dbraw/zinc/63/74/61/497637461.db2.gz KJDGWCYHNYJRJL-SFHVURJKSA-N 2 0 352.482 3.221 20 0 FGADRP COc1ccc2oc([C@H](C)NCc3nnc(C4CC[NH2+]CC4)[nH]3)c(C)c2c1 ZINC000578349655 505919994 /nfs/dbraw/zinc/91/99/94/505919994.db2.gz KJAVGDOGYBFYPF-ZDUSSCGKSA-N 2 0 369.469 3.186 20 0 FGADRP C[C@@H]([NH2+]CCNC(=O)c1ccccc1F)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272529236 497652896 /nfs/dbraw/zinc/65/28/96/497652896.db2.gz AIIJNQRUSDOVKH-IEBWSBKVSA-N 2 0 369.484 3.056 20 0 FGADRP COc1cc(C[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H]2CO)ccc1C ZINC000194413513 497658300 /nfs/dbraw/zinc/65/83/00/497658300.db2.gz DFIYUSFICFEIFI-NRFANRHFSA-N 2 0 354.494 3.250 20 0 FGADRP C[NH+](C)Cc1ccsc1C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000268065167 497671632 /nfs/dbraw/zinc/67/16/32/497671632.db2.gz AMJYDOPFFVLJPK-UHFFFAOYSA-N 2 0 371.550 3.452 20 0 FGADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1ccc(Br)c(Cl)c1 ZINC000276878795 497676634 /nfs/dbraw/zinc/67/66/34/497676634.db2.gz DOYUZRSQTJQOLL-ZDUSSCGKSA-N 2 0 374.754 3.218 20 0 FGADRP Cc1ccc(N2CCC(C(=O)N(CC[NH+](C)C)c3ccccc3)CC2)nc1 ZINC000194520969 497693052 /nfs/dbraw/zinc/69/30/52/497693052.db2.gz RBRJJUFTCOXWTP-UHFFFAOYSA-N 2 0 366.509 3.201 20 0 FGADRP Cc1noc(CCC[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)n1 ZINC000272667993 497696449 /nfs/dbraw/zinc/69/64/49/497696449.db2.gz JNYLBXPIINAFQZ-XUVXKRRUSA-N 2 0 354.498 3.201 20 0 FGADRP Cc1noc(CCC[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC000272667983 497696944 /nfs/dbraw/zinc/69/69/44/497696944.db2.gz JNYLBXPIINAFQZ-SLFFLAALSA-N 2 0 354.498 3.201 20 0 FGADRP C[C@H]1C[C@@H](NC(=O)NCC2(C)CC[NH+](C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000272672766 497697799 /nfs/dbraw/zinc/69/77/99/497697799.db2.gz PYJKHURBSPSPKH-ICSRJNTNSA-N 2 0 372.557 3.071 20 0 FGADRP COC(=O)c1csc(-c2cccc(C[NH2+][C@H]3CC[N@H+](C)[C@H](C)C3)c2)n1 ZINC000276979256 497706121 /nfs/dbraw/zinc/70/61/21/497706121.db2.gz YZMJPLWHCCUQKN-CJNGLKHVSA-N 2 0 359.495 3.169 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000246380750 497714901 /nfs/dbraw/zinc/71/49/01/497714901.db2.gz HPDCILBTUXGVRD-WIYYLYMNSA-N 2 0 372.557 3.297 20 0 FGADRP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)N[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000246393464 497719237 /nfs/dbraw/zinc/71/92/37/497719237.db2.gz SNLXBRZIFHLUJZ-QCFAMHMHSA-N 2 0 372.557 3.021 20 0 FGADRP C[C@@H](C(=O)Nc1ccc(OC(F)F)cc1)N1CCC[C@@H]([NH+](C)C)CC1 ZINC000277107875 497744314 /nfs/dbraw/zinc/74/43/14/497744314.db2.gz GYYLNZBTSUPLLZ-DZGCQCFKSA-N 2 0 355.429 3.031 20 0 FGADRP C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)[C@@H]2CCCC[C@@]2(C)[NH3+])C1 ZINC000263281777 497748477 /nfs/dbraw/zinc/74/84/77/497748477.db2.gz UJSBWRCTYZCJTD-PIPMEXSNSA-N 2 0 357.542 3.442 20 0 FGADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)NCC(C)(C)[NH+]2CCC[C@@H](CC)C2)C1 ZINC000246505999 497756944 /nfs/dbraw/zinc/75/69/44/497756944.db2.gz WVNCGYIYXICDHO-RTBURBONSA-N 2 0 366.594 3.260 20 0 FGADRP C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)NCC[NH+]2CCCC2)c1 ZINC000194772529 497765941 /nfs/dbraw/zinc/76/59/41/497765941.db2.gz JHCWAAOMSIDZBY-UHFFFAOYSA-N 2 0 351.494 3.144 20 0 FGADRP COc1cccc(C[C@H]([NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)C2CC2)c1 ZINC000246554220 497773362 /nfs/dbraw/zinc/77/33/62/497773362.db2.gz WSOPXFOSSFBTDV-RJGXRXQPSA-N 2 0 372.553 3.374 20 0 FGADRP c1cnn(-c2ccc(CC[NH2+][C@@H]3C[C@@]4(CC[NH2+]C4)Oc4ccccc43)cc2)c1 ZINC000581185011 505928908 /nfs/dbraw/zinc/92/89/08/505928908.db2.gz AAPONBXAVOTAFA-FYYLOGMGSA-N 2 0 374.488 3.260 20 0 FGADRP C[C@H](OC[C@H](O)C[N@@H+]1CCC[C@H]([NH+](C)C)CC1)c1ccc(Cl)cc1 ZINC000277229251 497783521 /nfs/dbraw/zinc/78/35/21/497783521.db2.gz OPARCIWBONVAAF-ZYSHUDEJSA-N 2 0 354.922 3.195 20 0 FGADRP CCC(C)(C)[NH2+][C@H](C)C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000273155103 497804827 /nfs/dbraw/zinc/80/48/27/497804827.db2.gz ALNFLKQYKFPJRR-OAHLLOKOSA-N 2 0 351.560 3.243 20 0 FGADRP Cc1ccc(-c2noc(CCC[NH+]3CC[C@]4(CC[N@@H+](C)C4)C3)n2)cc1F ZINC000292057327 497859501 /nfs/dbraw/zinc/85/95/01/497859501.db2.gz CFIZLBFXDKGTPW-FQEVSTJZSA-N 2 0 358.461 3.144 20 0 FGADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+]Cc2cccc(C(N)=O)c2)CC1 ZINC000280706871 497866875 /nfs/dbraw/zinc/86/68/75/497866875.db2.gz AZRHURXSRPJDBL-UHFFFAOYSA-N 2 0 351.494 3.318 20 0 FGADRP CC(C)(C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1)[C@@H]([NH3+])c1ccccc1 ZINC000569452768 505939577 /nfs/dbraw/zinc/93/95/77/505939577.db2.gz QVPRCIXSNYFZHA-RTWAWAEBSA-N 2 0 365.521 3.493 20 0 FGADRP C[NH+](C)CCOc1cnccc1C[NH2+]Cc1cccc(OC(F)(F)F)c1 ZINC000572318670 505939606 /nfs/dbraw/zinc/93/96/06/505939606.db2.gz SNZJAENXSSCWOK-UHFFFAOYSA-N 2 0 369.387 3.210 20 0 FGADRP C[NH+](C)CCOc1cnccc1C[NH2+][C@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000572319053 505940407 /nfs/dbraw/zinc/94/04/07/505940407.db2.gz FIBSWLMDMZUJFK-GHTZIAJQSA-N 2 0 369.509 3.280 20 0 FGADRP C[N@@H+]1CC[C@@]2(CC[NH+](CCC(=O)Nc3cccc(C(F)(F)F)c3)C2)C1 ZINC000292119685 497887112 /nfs/dbraw/zinc/88/71/12/497887112.db2.gz KDLABJAYYHXNRH-QGZVFWFLSA-N 2 0 355.404 3.062 20 0 FGADRP COc1ccc([C@H](C)[C@H](C)[NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)cc1OC ZINC000280771753 497893196 /nfs/dbraw/zinc/89/31/96/497893196.db2.gz FDZYGPUQLYIALU-ZIFCJYIRSA-N 2 0 364.530 3.022 20 0 FGADRP COC(=O)C[C@@H]1CC[C@H]([NH2+]C[C@H]2CC[N@H+](CCc3ccccc3)C2)[C@@H]1C ZINC000280813134 497908136 /nfs/dbraw/zinc/90/81/36/497908136.db2.gz IHTHUBXBHBAHEC-PBASOCQRSA-N 2 0 358.526 3.118 20 0 FGADRP C[C@H]([NH2+]C1(CNC(=O)N2C[C@H](C[NH3+])C[C@@H]2C)CCCC1)c1ccccc1 ZINC000581299980 505955559 /nfs/dbraw/zinc/95/55/59/505955559.db2.gz YOTOUKIUKOVCSO-BZSNNMDCSA-N 2 0 358.530 3.029 20 0 FGADRP COCCN(C)c1ccc(C[N@@H+]2CCC[C@@H](n3ccnc3C(C)C)C2)cn1 ZINC000364504339 497991288 /nfs/dbraw/zinc/99/12/88/497991288.db2.gz OFGDXACRIKXOTE-LJQANCHMSA-N 2 0 371.529 3.321 20 0 FGADRP CSC1(C[NH2+][C@@H](c2cnn(C)c2)c2cccc(F)c2)CC[NH+](C)CC1 ZINC000581340447 505965264 /nfs/dbraw/zinc/96/52/64/505965264.db2.gz YBUGSDAABNRMQO-GOSISDBHSA-N 2 0 362.518 3.066 20 0 FGADRP CC1(C)CCC[NH2+][C@@H]1C(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000569606540 505974986 /nfs/dbraw/zinc/97/49/86/505974986.db2.gz GBEJYONCIIQUOX-GOSISDBHSA-N 2 0 363.933 3.199 20 0 FGADRP C[C@H](NC(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1)[C@H]1CCC[NH2+]C1 ZINC000572498803 505983195 /nfs/dbraw/zinc/98/31/95/505983195.db2.gz OBKCFHXFNICKRN-RXVVDRJESA-N 2 0 372.557 3.106 20 0 FGADRP C[N@H+](C[C@@H](O)COc1ccccc1C(F)(F)F)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285582339 498136717 /nfs/dbraw/zinc/13/67/17/498136717.db2.gz UBSVTPYKIGYBMB-VFSICIBPSA-N 2 0 372.431 3.002 20 0 FGADRP CCOc1ccc(NC(=O)CC[NH+]2CCC(C[N@H+](C)C(C)C)CC2)cc1 ZINC000581422395 505985699 /nfs/dbraw/zinc/98/56/99/505985699.db2.gz CZFNJRBMMWWFCY-UHFFFAOYSA-N 2 0 361.530 3.466 20 0 FGADRP CCOc1ccc(C(C)=O)cc1CN(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2CCOC ZINC000292912905 498194647 /nfs/dbraw/zinc/19/46/47/498194647.db2.gz BFJSEFJKVRJNDW-WCRBZPEASA-N 2 0 374.525 3.362 20 0 FGADRP C[C@H](c1ccc(F)cc1)N1CC[C@@H]([NH+]2CCC(c3ncc[nH]3)CC2)C1=O ZINC000292930878 498199492 /nfs/dbraw/zinc/19/94/92/498199492.db2.gz YZIXWSQUUZZWHS-RDTXWAMCSA-N 2 0 356.445 3.090 20 0 FGADRP COc1cccc(OC)c1OCCCC[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000292955723 498210914 /nfs/dbraw/zinc/21/09/14/498210914.db2.gz KYFVPMHJWCMULC-OAQYLSRUSA-N 2 0 362.514 3.281 20 0 FGADRP C[C@@H]([NH2+][C@@H](C)c1ccc2c(c1)OCC(=O)N2)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000285990243 498260484 /nfs/dbraw/zinc/26/04/84/498260484.db2.gz GZFYWWXVFCHEGJ-UXLLHSPISA-N 2 0 357.498 3.321 20 0 FGADRP COc1ccc(C[NH+]2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)cc1OC(F)F ZINC000578738848 506009973 /nfs/dbraw/zinc/00/99/73/506009973.db2.gz FXFNSVFGNVCCOH-NVXWUHKLSA-N 2 0 370.440 3.015 20 0 FGADRP CC[NH+](CC)CCOc1ccc(C(=O)N2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cc1 ZINC000572606548 506010223 /nfs/dbraw/zinc/01/02/23/506010223.db2.gz XBHVQXXEIFWSSY-CTNGQTDRSA-N 2 0 373.541 3.011 20 0 FGADRP CCC[NH+]1CCC(N2CC[NH+](CCCc3ccccc3OC)CC2)CC1 ZINC000360637982 498291039 /nfs/dbraw/zinc/29/10/39/498291039.db2.gz MQWZGFGUZIDZNS-UHFFFAOYSA-N 2 0 359.558 3.120 20 0 FGADRP C[C@H]1C[C@@H](N[C@H](CC(N)=O)c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000293169923 498292364 /nfs/dbraw/zinc/29/23/64/498292364.db2.gz WCQLQFOQHRCSFT-DZFGPLHGSA-N 2 0 351.494 3.246 20 0 FGADRP CC(=O)N1CC[C@H]([NH2+]C[C@@H]2CCC[N@@H+](CC(C)C)C2)c2ccccc2C1 ZINC000360661594 498294098 /nfs/dbraw/zinc/29/40/98/498294098.db2.gz LEGAHGDVHCFYAU-UGKGYDQZSA-N 2 0 357.542 3.438 20 0 FGADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]C1CCN(Cc2coc(-c3ccccc3)n2)CC1 ZINC000578756744 506014104 /nfs/dbraw/zinc/01/41/04/506014104.db2.gz JOIHBIUTEGSDBB-PXNSSMCTSA-N 2 0 354.498 3.023 20 0 FGADRP CCN1CC[NH+](CCCC[NH2+][C@H](CCCOC)c2ccc(F)cc2)CC1 ZINC000281921310 498319609 /nfs/dbraw/zinc/31/96/09/498319609.db2.gz JLNNHXLMWUTSNQ-OAQYLSRUSA-N 2 0 365.537 3.301 20 0 FGADRP C[C@@H]1CCN(C(=O)NCc2ccccc2C[NH+]2CCCCCC2)C[C@H]1C[NH3+] ZINC000575853131 506018347 /nfs/dbraw/zinc/01/83/47/506018347.db2.gz BDFWPGSUCPSJPZ-WIYYLYMNSA-N 2 0 372.557 3.189 20 0 FGADRP COc1ccc([C@H]2[C@H](CNC3C[C@H]4CC[C@@H](C3)[N@H+]4C)CCC[NH+]2C)cc1 ZINC000365236262 498366566 /nfs/dbraw/zinc/36/65/66/498366566.db2.gz SLUWCCOPPPQCTL-XFMLVYLPSA-N 2 0 357.542 3.293 20 0 FGADRP c1c(C[N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)nc2ncccn12 ZINC000293412810 498376265 /nfs/dbraw/zinc/37/62/65/498376265.db2.gz SDFSOMQKEOZLER-UHFFFAOYSA-N 2 0 361.493 3.217 20 0 FGADRP CC[C@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2)[C@H]1CCOC1 ZINC000581681330 506043521 /nfs/dbraw/zinc/04/35/21/506043521.db2.gz KSKPQHNIMRYIBG-BDTNDASRSA-N 2 0 372.553 3.320 20 0 FGADRP COc1cc2c(cc1F)CC[C@@H]2[NH2+]Cc1ccncc1OCCC[NH+](C)C ZINC000290418285 498545492 /nfs/dbraw/zinc/54/54/92/498545492.db2.gz UOMSAVWLCOWJON-IBGZPJMESA-N 2 0 373.472 3.337 20 0 FGADRP C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N2CCC[C@@H](CC[NH3+])C2)C1 ZINC000581715221 506052009 /nfs/dbraw/zinc/05/20/09/506052009.db2.gz HGYAHHYVCARXMW-MOPGFXCFSA-N 2 0 372.557 3.189 20 0 FGADRP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)NCC1(C)CC[NH2+]CC1 ZINC000572824153 506061386 /nfs/dbraw/zinc/06/13/86/506061386.db2.gz FTDXNWZDWCWJIW-SFHVURJKSA-N 2 0 372.557 3.250 20 0 FGADRP C[N@@H+]1CCC[C@@]2(CCN(C(=O)C3(C)CC[NH+](Cc4ccccc4)CC3)C2)C1 ZINC000294367036 498672138 /nfs/dbraw/zinc/67/21/38/498672138.db2.gz ZFOQUDANHYCVAH-HSZRJFAPSA-N 2 0 369.553 3.233 20 0 FGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)Nc1ccnc(N2CCc3ccccc3C2)c1 ZINC000570050205 506078340 /nfs/dbraw/zinc/07/83/40/506078340.db2.gz YMIRMLRFMLHBQW-HXUWFJFHSA-N 2 0 364.493 3.457 20 0 FGADRP c1cnn(C2CC[NH+](CCCCC[NH+]3CCC(n4cccn4)CC3)CC2)c1 ZINC000363245679 498723813 /nfs/dbraw/zinc/72/38/13/498723813.db2.gz YUHWYSTTWAPSDM-UHFFFAOYSA-N 2 0 370.545 3.224 20 0 FGADRP CC(C)[NH+]1CCN(c2ccc(C(=O)Nc3ccc4c(c3)C[NH2+]C4)cc2)CC1 ZINC000576111183 506079678 /nfs/dbraw/zinc/07/96/78/506079678.db2.gz NMGOHNRKNHAKLI-UHFFFAOYSA-N 2 0 364.493 3.073 20 0 FGADRP Cn1cncc1CC[NH+]1CCC(C(=O)Nc2ccc(F)c(Cl)c2)CC1 ZINC000298376409 498749507 /nfs/dbraw/zinc/74/95/07/498749507.db2.gz KWZVCAAHJLEPBT-UHFFFAOYSA-N 2 0 364.852 3.106 20 0 FGADRP C[C@H]1[C@H]([NH2+]C2CCN(c3nccs3)CC2)CCN1Cc1ccccc1 ZINC000287421396 498750245 /nfs/dbraw/zinc/75/02/45/498750245.db2.gz SHJUJTXYBQNSCD-QFBILLFUSA-N 2 0 356.539 3.365 20 0 FGADRP [NH3+][C@@H](CCC(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000311902115 498757099 /nfs/dbraw/zinc/75/70/99/498757099.db2.gz FYJCGCUVUFWHDX-CTNGQTDRSA-N 2 0 351.494 3.105 20 0 FGADRP COc1ccc(OC2CC[NH+](C[C@H](C[NH3+])c3ccc(F)cc3)CC2)cc1 ZINC000570079158 506085818 /nfs/dbraw/zinc/08/58/18/506085818.db2.gz BSVWEJKDLWOIMW-KRWDZBQOSA-N 2 0 358.457 3.420 20 0 FGADRP C[S@](=O)C1(C[NH2+][C@@H]2CCCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000287468109 498767393 /nfs/dbraw/zinc/76/73/93/498767393.db2.gz MFVNMPVFKIZHFM-YASKCIBGSA-N 2 0 360.567 3.178 20 0 FGADRP CC(C)(C)OC(=O)N1CC[NH+](C2CCC([NH2+]Cc3ccncc3)CC2)CC1 ZINC000291057776 498775609 /nfs/dbraw/zinc/77/56/09/498775609.db2.gz JLJYMXKSMYXEQP-UHFFFAOYSA-N 2 0 374.529 3.035 20 0 FGADRP CN(C(=O)NC[C@H]1CCCC[N@@H+]1C1CC1)[C@H](c1ncc[nH]1)c1ccccc1 ZINC000579082869 506089623 /nfs/dbraw/zinc/08/96/23/506089623.db2.gz HQTGOKFCXBEXCH-MOPGFXCFSA-N 2 0 367.497 3.157 20 0 FGADRP C[NH+](C)CCNC(=O)C1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000283132696 498791205 /nfs/dbraw/zinc/79/12/05/498791205.db2.gz NMWAQCTYOVFHLD-UHFFFAOYSA-N 2 0 365.521 3.166 20 0 FGADRP Cc1nn(C)c2sc([C@H](C)[NH2+]C3CC[NH+](C[C@@H]4CCOC4)CC3)cc12 ZINC000287587936 498805492 /nfs/dbraw/zinc/80/54/92/498805492.db2.gz HVUAEIINSVNADU-GJZGRUSLSA-N 2 0 362.543 3.095 20 0 FGADRP C[C@H](C[NH2+]C[C@H](O)COc1ccc(Cl)c(Cl)c1)C[NH+]1CCCC1 ZINC000320864004 498810671 /nfs/dbraw/zinc/81/06/71/498810671.db2.gz JIBYRTVROFQFJC-KGLIPLIRSA-N 2 0 361.313 3.055 20 0 FGADRP C[C@H]([NH2+]C[C@@H]1CCN(C(=O)c2ccccc2)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000283196866 498813355 /nfs/dbraw/zinc/81/33/55/498813355.db2.gz RCBNUKUCEYLADM-IRFCIJBXSA-N 2 0 369.553 3.391 20 0 FGADRP C[NH+]1CCC(CC[NH2+]C[C@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000323887548 498822835 /nfs/dbraw/zinc/82/28/35/498822835.db2.gz WLAPXBMURXSTCA-AWEZNQCLSA-N 2 0 361.313 3.055 20 0 FGADRP COCc1cc(C[NH2+]CC2CC[NH+](Cc3ccccc3Cl)CC2)no1 ZINC000298591677 498822781 /nfs/dbraw/zinc/82/27/81/498822781.db2.gz YLHARUWJIOVOAD-UHFFFAOYSA-N 2 0 363.889 3.476 20 0 FGADRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000326444169 498842373 /nfs/dbraw/zinc/84/23/73/498842373.db2.gz BKDKGIHYOBCUHI-SJORKVTESA-N 2 0 369.575 3.098 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H]1CCC2(CCOCC2)[C@H]1O ZINC000283394516 498872506 /nfs/dbraw/zinc/87/25/06/498872506.db2.gz PVULMHRBIVAHGV-YJMBLLCNSA-N 2 0 372.553 3.054 20 0 FGADRP C[C@H]([NH2+][C@@H]1CCOC2(CCC2)C1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000294990719 498873092 /nfs/dbraw/zinc/87/30/92/498873092.db2.gz HNXPZTBXJUYBLP-FUHWJXTLSA-N 2 0 361.505 3.330 20 0 FGADRP C[NH+](C)CCOCC[NH2+][C@H]1CCCc2nc(-c3ccccc3F)sc21 ZINC000576218169 506105176 /nfs/dbraw/zinc/10/51/76/506105176.db2.gz LIHYJASWLIWVFL-INIZCTEOSA-N 2 0 363.502 3.494 20 0 FGADRP Cc1nn(-c2ccc(Cl)cc2)cc1C[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000579108924 506096386 /nfs/dbraw/zinc/09/63/86/506096386.db2.gz KDCMEWDBGXTJLO-KRWDZBQOSA-N 2 0 374.916 3.021 20 0 FGADRP C[C@@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000295141393 498924384 /nfs/dbraw/zinc/92/43/84/498924384.db2.gz ZUNZHBFAVKLCEF-AQXGTKIOSA-N 2 0 363.933 3.292 20 0 FGADRP COc1cccc(C[C@@H](C)[NH2+]C[C@H](O)Cn2cnc3cc(C)c(C)cc32)c1 ZINC000576271798 506117753 /nfs/dbraw/zinc/11/77/53/506117753.db2.gz JYRCMWGMSWPMHT-MJGOQNOKSA-N 2 0 367.493 3.243 20 0 FGADRP C[C@H](C(=O)Nc1ccccc1NC1CC[NH+](C)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000299149509 498979769 /nfs/dbraw/zinc/97/97/69/498979769.db2.gz YRHTZJJJHSWRLS-BRWVUGGUSA-N 2 0 358.530 3.393 20 0 FGADRP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]C[C@@](C)(O)c1ccccc1Cl ZINC000363794957 498997307 /nfs/dbraw/zinc/99/73/07/498997307.db2.gz FHIBEAMGVUETBG-GIYDNNGJSA-N 2 0 366.933 3.027 20 0 FGADRP C[NH+](C)CC1CCC([NH2+]C[C@@H](O)COc2ccc3ccccc3c2)CC1 ZINC000579228722 506124670 /nfs/dbraw/zinc/12/46/70/506124670.db2.gz ZEEFLAIYPYBKSH-FBPXKMNZSA-N 2 0 356.510 3.290 20 0 FGADRP C[C@@H](c1ccccc1)N1CC[C@H]([NH2+]C2CCN(CC(F)(F)F)CC2)C1 ZINC000363810692 499004175 /nfs/dbraw/zinc/00/41/75/499004175.db2.gz CRPXUUKYYGQSAO-YJBOKZPZSA-N 2 0 355.448 3.438 20 0 FGADRP C[C@@H]1CC2(C[N@@H+]1Cc1nc3sc4c(c3c(N)n1)CCCC4)CC[NH2+]CC2 ZINC000333460807 499010307 /nfs/dbraw/zinc/01/03/07/499010307.db2.gz GKYIMFCPYFLNBT-CYBMUJFWSA-N 2 0 371.554 3.116 20 0 FGADRP C[NH+]1CCN(CCC[NH2+]Cc2cnc(-c3ccc(Cl)cc3)s2)CC1 ZINC000283906415 499010638 /nfs/dbraw/zinc/01/06/38/499010638.db2.gz KGYUFMOFSZUVDI-UHFFFAOYSA-N 2 0 364.946 3.191 20 0 FGADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+][C@H]3CC[C@@H](C(=O)N4CCCC4)C3)CC2)C1 ZINC000366662491 499023319 /nfs/dbraw/zinc/02/33/19/499023319.db2.gz FTPDBBKYUFDXHE-QCFAMHMHSA-N 2 0 361.574 3.410 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1cnc(C2CCC2)s1 ZINC000573140202 506127110 /nfs/dbraw/zinc/12/71/10/506127110.db2.gz FFQDPJDSPOJALA-KRWDZBQOSA-N 2 0 350.576 3.259 20 0 FGADRP CCCC[NH+]1CCC(NC(=O)C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000299335778 499028018 /nfs/dbraw/zinc/02/80/18/499028018.db2.gz PWRQSAHDFGOIIM-UHFFFAOYSA-N 2 0 357.542 3.279 20 0 FGADRP CCC[N@H+](C)[C@@H](CNC(=O)C12CCC[NH+]1CCC2)c1ccc(Cl)cc1 ZINC000582079068 506128219 /nfs/dbraw/zinc/12/82/19/506128219.db2.gz QMCYTQKRKHQQJG-SFHVURJKSA-N 2 0 363.933 3.468 20 0 FGADRP Cc1cc(C)c(CNC(=O)N2CCC(c3ncc4n3CCCC4)CC2)cn1 ZINC000333611903 499042576 /nfs/dbraw/zinc/04/25/76/499042576.db2.gz DZTFEXFMVPTPPD-UHFFFAOYSA-N 2 0 367.497 3.320 20 0 FGADRP C[C@H]1CN(Cc2ccccn2)CC[C@H]1[NH2+]Cc1ccnn1-c1ccccc1 ZINC000363948795 499063381 /nfs/dbraw/zinc/06/33/81/499063381.db2.gz RSJSAKIXMLMVAW-PGRDOPGGSA-N 2 0 361.493 3.268 20 0 FGADRP C[C@@H](c1ccncc1)N1CCC([NH2+]Cc2cnc(C(C)(C)C)nc2)CC1 ZINC000284185970 499064473 /nfs/dbraw/zinc/06/44/73/499064473.db2.gz AVWIBEFTLYJJLJ-INIZCTEOSA-N 2 0 353.514 3.484 20 0 FGADRP C[NH+]1CCC(Oc2ccc(C[NH2+][C@@H]3[C@@H]4CCCO[C@H]4C3(C)C)cc2)CC1 ZINC000284451466 499109737 /nfs/dbraw/zinc/10/97/37/499109737.db2.gz UJERVRGIKLZGJE-PWRODBHTSA-N 2 0 358.526 3.453 20 0 FGADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+][C@@H]2CCC(=O)N[C@@H]2C2CC2)CC1 ZINC000366943108 499119433 /nfs/dbraw/zinc/11/94/33/499119433.db2.gz JMBMRURMROHAEI-FLQRSKGTSA-N 2 0 355.526 3.076 20 0 FGADRP CCn1cc([C@H]2OCC[C@@H]2C[NH2+]C2CC[NH+](C3CCCCC3)CC2)cn1 ZINC000366948031 499120768 /nfs/dbraw/zinc/12/07/68/499120768.db2.gz ZUOSAUGLDJNRKU-UTKZUKDTSA-N 2 0 360.546 3.367 20 0 FGADRP C[C@H](NC(=O)NCc1ccc(C[NH+](C)C)cc1)[C@H](c1ccccc1)[NH+](C)C ZINC000576333358 506132978 /nfs/dbraw/zinc/13/29/78/506132978.db2.gz CWVWUBUZSXIUOR-LAUBAEHRSA-N 2 0 368.525 3.239 20 0 FGADRP C[C@@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccc(Br)cc1 ZINC000370111169 499182195 /nfs/dbraw/zinc/18/21/95/499182195.db2.gz KUXMLSAJGGVACO-PBHICJAKSA-N 2 0 366.347 3.268 20 0 FGADRP C[N@@H+]1CCCC[C@H]1CC[NH+]1C[C@H]2CCC[C@@]2(c2nc(CC3CC3)no2)C1 ZINC000372850836 499184228 /nfs/dbraw/zinc/18/42/28/499184228.db2.gz DDXGMDDRRSGZCW-LVCYWYKZSA-N 2 0 358.530 3.250 20 0 FGADRP C[N@@H+]1CCN(CC[NH2+]Cc2ccc(-c3ccncc3)cc2F)CC1(C)C ZINC000370254280 499202434 /nfs/dbraw/zinc/20/24/34/499202434.db2.gz ZINXOSGOEBUYSQ-UHFFFAOYSA-N 2 0 356.489 3.003 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1ccc2nc(C)sc2c1 ZINC000579291635 506137263 /nfs/dbraw/zinc/13/72/63/506137263.db2.gz YUUYCJSTWRPOGO-GOSISDBHSA-N 2 0 360.571 3.453 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1ccc2nc(C)sc2c1 ZINC000579291636 506137565 /nfs/dbraw/zinc/13/75/65/506137565.db2.gz YUUYCJSTWRPOGO-SFHVURJKSA-N 2 0 360.571 3.453 20 0 FGADRP CCOC(=O)c1ccc(C[N@H+](C)C[C@H]2CCn3ccnc3C2)cc1Cl ZINC000367672337 499223578 /nfs/dbraw/zinc/22/35/78/499223578.db2.gz RKKPGUPSDSQYMH-HNNXBMFYSA-N 2 0 361.873 3.408 20 0 FGADRP C[C@@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccc(Br)s1 ZINC000370624701 499236692 /nfs/dbraw/zinc/23/66/92/499236692.db2.gz OGLNYVQPFSGDPV-OLZOCXBDSA-N 2 0 372.376 3.330 20 0 FGADRP COc1ccc(Cl)cc1[C@H](C)[NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000370633978 499237839 /nfs/dbraw/zinc/23/78/39/499237839.db2.gz JNBMCSQVIBOTFM-GOEBONIOSA-N 2 0 351.922 3.168 20 0 FGADRP C[C@@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccc(OC(F)F)cc1 ZINC000370636892 499238305 /nfs/dbraw/zinc/23/83/05/499238305.db2.gz SLDDWLSHAIDRHL-ZBFHGGJFSA-N 2 0 353.457 3.107 20 0 FGADRP C[C@H]1CN(Cc2cc(Cl)cc(Cl)c2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000370707842 499246610 /nfs/dbraw/zinc/24/66/10/499246610.db2.gz OUTGIZKSUVDOMN-KBXCAEBGSA-N 2 0 356.341 3.451 20 0 FGADRP C[C@@H]1C[N@H+](CCCN[C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)CCCO1 ZINC000370730542 499249194 /nfs/dbraw/zinc/24/91/94/499249194.db2.gz OYRGDLAATPHQIK-ADHNFCLRSA-N 2 0 371.569 3.273 20 0 FGADRP COCCOCc1ccc(C[NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000367970827 499250698 /nfs/dbraw/zinc/25/06/98/499250698.db2.gz SMHUZEIDHWWOLX-HSZRJFAPSA-N 2 0 368.521 3.461 20 0 FGADRP C[N@@H+]1CCC[C@@H](CNC(=O)CC(C)(C)[NH3+])[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000370773614 499253154 /nfs/dbraw/zinc/25/31/54/499253154.db2.gz OXGXKOXCHMHSQK-YOEHRIQHSA-N 2 0 371.447 3.332 20 0 FGADRP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CC23CCN(C(=O)OC(C)(C)C)CC3)[C@@H](C)C1 ZINC000368041496 499258466 /nfs/dbraw/zinc/25/84/66/499258466.db2.gz KKLISWSCVITCPN-YESZJQIVSA-N 2 0 351.535 3.096 20 0 FGADRP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000371034107 499282309 /nfs/dbraw/zinc/28/23/09/499282309.db2.gz MVALZRUUJKABLY-ICSRJNTNSA-N 2 0 364.578 3.014 20 0 FGADRP CC(=O)N1CC[C@@H]([NH2+]C[C@H]2CCC[N@@H+](C(C)C)C2)c2ccc(F)cc2C1 ZINC000368424828 499294716 /nfs/dbraw/zinc/29/47/16/499294716.db2.gz ALLAMIWCNAYNIV-DYESRHJHSA-N 2 0 361.505 3.329 20 0 FGADRP CC(=O)c1ccccc1NC(=O)CN1CCC2(C[C@@H]2C[N@@H+](C)C2CC2)CC1 ZINC000371321409 499309933 /nfs/dbraw/zinc/30/99/33/499309933.db2.gz QGGPWEYPNFCZDA-QGZVFWFLSA-N 2 0 369.509 3.024 20 0 FGADRP CC(=O)N1CC[C@@H]([NH2+]C[C@H](C)C[NH+]2CCCCC2)c2ccc(F)cc2C1 ZINC000368630965 499315753 /nfs/dbraw/zinc/31/57/53/499315753.db2.gz HOESACJAZDZKEK-HRAATJIYSA-N 2 0 361.505 3.331 20 0 FGADRP C[N@@H+]1CC[C@@H](C[NH2+]C2CCN(Cc3ccncc3)CC2)[C@@H]1c1ccccc1 ZINC000371520631 499337526 /nfs/dbraw/zinc/33/75/26/499337526.db2.gz VCSVBLSFLNPOFK-GMAHTHKFSA-N 2 0 364.537 3.329 20 0 FGADRP C[N@@H+]1CC[C@@H](C[NH2+]C2CCN(Cc3ccccn3)CC2)[C@@H]1c1ccccc1 ZINC000371521046 499337576 /nfs/dbraw/zinc/33/75/76/499337576.db2.gz YQAAHMBOZOGACJ-REWPJTCUSA-N 2 0 364.537 3.329 20 0 FGADRP COc1ccc(Cl)c(C[NH+]2CCC(C)(C[NH+]3CCN(C)CC3)CC2)c1 ZINC000369003427 499356024 /nfs/dbraw/zinc/35/60/24/499356024.db2.gz ULVREUKRYFIAAA-UHFFFAOYSA-N 2 0 365.949 3.198 20 0 FGADRP Cn1cc(C[NH2+]C[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)c(-c2cccnc2)n1 ZINC000371722123 499358874 /nfs/dbraw/zinc/35/88/74/499358874.db2.gz CSOQWAJVXJQZFL-UGKGYDQZSA-N 2 0 361.493 3.265 20 0 FGADRP C[C@@H](Cc1cccc(C(F)(F)F)c1)[NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000369062602 499361753 /nfs/dbraw/zinc/36/17/53/499361753.db2.gz HRIYWHJSVGEYKF-YJBOKZPZSA-N 2 0 369.475 3.395 20 0 FGADRP CCC[NH+]1CCN(C2CC[NH+](CCC(Cl)(Cl)Cl)CC2)CC1 ZINC000372040845 499392090 /nfs/dbraw/zinc/39/20/90/499392090.db2.gz GCQHZZMFHGETQG-UHFFFAOYSA-N 2 0 356.769 3.239 20 0 FGADRP C[C@H](C(=O)NC[C@@H]1CC[N@H+](C)[C@H]1c1cccs1)[C@@H]([NH3+])c1ccccc1 ZINC000372099329 499399034 /nfs/dbraw/zinc/39/90/34/499399034.db2.gz SZMMAGWYXRNEDC-IAAVTCLWSA-N 2 0 357.523 3.193 20 0 FGADRP Cc1ccc(NC(=O)CC[NH2+][C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)nc1 ZINC000372348724 499423733 /nfs/dbraw/zinc/42/37/33/499423733.db2.gz QSRVMQPSTUMWDZ-UYAOXDASSA-N 2 0 366.509 3.219 20 0 FGADRP CC1CC[NH+](CC2CC[NH+](Cc3c[nH]nc3-c3cccnc3)CC2)CC1 ZINC000372392630 499428091 /nfs/dbraw/zinc/42/80/91/499428091.db2.gz XLCJXYMEXVTRRZ-UHFFFAOYSA-N 2 0 353.514 3.416 20 0 FGADRP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)C[C@@H]1CCC[NH2+]CC1 ZINC000372411750 499431551 /nfs/dbraw/zinc/43/15/51/499431551.db2.gz JILMMXJKMQOHRX-GUDVDZBRSA-N 2 0 357.542 3.039 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)C1CC[NH+](Cc2cccnc2)CC1 ZINC000369661941 499433187 /nfs/dbraw/zinc/43/31/87/499433187.db2.gz PXXVBZRRLMSPHG-LJQANCHMSA-N 2 0 372.557 3.064 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccc(C(F)(F)F)cc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000369768399 499441680 /nfs/dbraw/zinc/44/16/80/499441680.db2.gz WOGPSPILIFCTEG-CRAIPNDOSA-N 2 0 355.448 3.163 20 0 FGADRP C[NH+]1CCC(C[NH2+][C@H](c2cccnc2)C2CCC2)(N2CCCCC2)CC1 ZINC000373640997 499481285 /nfs/dbraw/zinc/48/12/85/499481285.db2.gz ADSIKDCODRDKKW-NRFANRHFSA-N 2 0 356.558 3.463 20 0 FGADRP COc1ccccc1-n1nccc1C[NH2+]C[C@H]1CCCn2cc(C)nc21 ZINC000373776153 499487568 /nfs/dbraw/zinc/48/75/68/499487568.db2.gz FTARQJMEMBNXGN-MRXNPFEDSA-N 2 0 351.454 3.053 20 0 FGADRP Brc1cccc2c(N3CCN(c4ncc[nH]4)CC3)ccnc12 ZINC000576394251 506147423 /nfs/dbraw/zinc/14/74/23/506147423.db2.gz MGHJZOHCMPGCGM-UHFFFAOYSA-N 2 0 358.243 3.047 20 0 FGADRP c1ccc(CN2CCCO[C@@H](C[NH+]3CCC4(CCOCC4)CC3)C2)cc1 ZINC000375272578 499501822 /nfs/dbraw/zinc/50/18/22/499501822.db2.gz QDPLEXGNQXWRJV-NRFANRHFSA-N 2 0 358.526 3.170 20 0 FGADRP C[N@H+](C[C@@H]1CC12CCN(C(=O)[C@H]1CC[NH+](C3CCCCC3)C1)CC2)C1CC1 ZINC000378354459 499506062 /nfs/dbraw/zinc/50/60/62/499506062.db2.gz JVUHVVKOAIJRTD-OALUTQOASA-N 2 0 373.585 3.364 20 0 FGADRP c1ccc(C[N@@H+]2CCCO[C@H](CN3CCC([NH2+]C4CCCC4)CC3)C2)cc1 ZINC000375325878 499507610 /nfs/dbraw/zinc/50/76/10/499507610.db2.gz HXPIGXJFCXRUGI-HSZRJFAPSA-N 2 0 371.569 3.274 20 0 FGADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2Cc1cccc(-c2ccccn2)c1 ZINC000378368299 499507781 /nfs/dbraw/zinc/50/77/81/499507781.db2.gz GLPKUACTOBAUAM-CEMLEFRQSA-N 2 0 351.494 3.432 20 0 FGADRP Cc1cc(C[N@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)c2ccccc2n1 ZINC000375886780 499564732 /nfs/dbraw/zinc/56/47/32/499564732.db2.gz ATXCCKFGQICUPP-HXUWFJFHSA-N 2 0 352.526 3.144 20 0 FGADRP Cc1ccccc1OC[C@H](O)C[NH2+]Cc1ccccc1C[N@@H+](C)C(C)C ZINC000582176187 506151811 /nfs/dbraw/zinc/15/18/11/506151811.db2.gz GXHZWNKZUKTBAV-OAQYLSRUSA-N 2 0 356.510 3.365 20 0 FGADRP C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC000376584142 499620687 /nfs/dbraw/zinc/62/06/87/499620687.db2.gz LXIFLVRLEFVCQB-BKNJSMIZSA-N 2 0 364.578 3.011 20 0 FGADRP C[C@H](Cc1ccccc1C(F)(F)F)[NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000376674153 499627679 /nfs/dbraw/zinc/62/76/79/499627679.db2.gz UFWZSYMRXVROPO-WBVHZDCISA-N 2 0 369.475 3.395 20 0 FGADRP CN(C(=O)NC[C@H]1CCC[NH+]1C1CCCCC1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000376932784 499647483 /nfs/dbraw/zinc/64/74/83/499647483.db2.gz MEOBEVUWCINRPA-BMHONFFRSA-N 2 0 362.562 3.050 20 0 FGADRP CC[NH+](CC)CCNC(=O)NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000410358609 499657479 /nfs/dbraw/zinc/65/74/79/499657479.db2.gz JWGFVMFVINCBFI-SFHVURJKSA-N 2 0 360.546 3.060 20 0 FGADRP CC[NH+](CC)Cc1ccc(CNC(=O)NC2CC([NH+]3CCCCC3)C2)cc1 ZINC000377138514 499665520 /nfs/dbraw/zinc/66/55/20/499665520.db2.gz DXXIOQHVAZPIEY-UHFFFAOYSA-N 2 0 372.557 3.345 20 0 FGADRP COC(=O)c1cc2cc(C[N@@H+]3CCC[C@@H](c4nccn4C)C3)ccc2o1 ZINC000377261236 499674999 /nfs/dbraw/zinc/67/49/99/499674999.db2.gz HZDDWPUYXBPEGN-OAHLLOKOSA-N 2 0 353.422 3.333 20 0 FGADRP C[N@H+](C[C@@H]1CC12CC[NH+]([C@H]1CCc3ccccc3NC1=O)CC2)C1CC1 ZINC000377307402 499678673 /nfs/dbraw/zinc/67/86/73/499678673.db2.gz IOTBCMVOHVLUNK-PXNSSMCTSA-N 2 0 353.510 3.136 20 0 FGADRP COc1ccc2c(c1)CCC[C@H]2[N@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000377626231 499712223 /nfs/dbraw/zinc/71/22/23/499712223.db2.gz MEAAAGDZOBJFSL-SIKLNZKXSA-N 2 0 357.542 3.173 20 0 FGADRP COC(=O)[C@H]1CC12CC[NH+](Cc1ccc(C[NH+]3CCCCC3)cc1)CC2 ZINC000411285730 499721571 /nfs/dbraw/zinc/72/15/71/499721571.db2.gz VQCWGTUNDLTNKP-HXUWFJFHSA-N 2 0 356.510 3.448 20 0 FGADRP C([C@H]1CCCCO1)[N@@H+]1CCC[C@@]2(CCC[NH+](C[C@@H]3CCCCO3)C2)C1 ZINC000377724772 499725368 /nfs/dbraw/zinc/72/53/68/499725368.db2.gz MWBOZUDCESZMAU-QHAWAJNXSA-N 2 0 350.547 3.303 20 0 FGADRP c1cc(C[NH+]2CCCCC2)cc(C[NH+]2CCC(O[C@H]3CCOC3)CC2)c1 ZINC000411324469 499726007 /nfs/dbraw/zinc/72/60/07/499726007.db2.gz FTAPURNSVQPMFP-QFIPXVFZSA-N 2 0 358.526 3.442 20 0 FGADRP CNC(=O)c1ccc(C[N@@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000377757844 499729480 /nfs/dbraw/zinc/72/94/80/499729480.db2.gz GFFXPUKUASDQKP-YADHBBJMSA-N 2 0 363.505 3.000 20 0 FGADRP Cc1cc([C@H]([NH2+]CC(=O)NC2CC[NH+](C(C)C)CC2)C2CC2)ccc1F ZINC000411475998 499745424 /nfs/dbraw/zinc/74/54/24/499745424.db2.gz FSBANTLHEDDPTD-OAQYLSRUSA-N 2 0 361.505 3.164 20 0 FGADRP Cc1cc([C@@H]([NH2+]CC(=O)NC2CC[NH+](C(C)C)CC2)C2CC2)ccc1F ZINC000411475994 499745440 /nfs/dbraw/zinc/74/54/40/499745440.db2.gz FSBANTLHEDDPTD-NRFANRHFSA-N 2 0 361.505 3.164 20 0 FGADRP CC(C)[NH+]1CCC(NC(=O)C[NH2+][C@H](C)c2ccccc2C(F)(F)F)CC1 ZINC000411478762 499745935 /nfs/dbraw/zinc/74/59/35/499745935.db2.gz YMHWSGHVYUTCHU-CQSZACIVSA-N 2 0 371.447 3.345 20 0 FGADRP CC[NH+](CC)CCCC1CCN(Cc2ccc(S(C)(=O)=O)o2)CC1 ZINC000411506996 499748967 /nfs/dbraw/zinc/74/89/67/499748967.db2.gz RBHSMNZCYGFFSI-UHFFFAOYSA-N 2 0 356.532 3.017 20 0 FGADRP CC(=O)N[C@H](C)C1CC[NH+](Cc2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC000411554995 499762554 /nfs/dbraw/zinc/76/25/54/499762554.db2.gz UZHVOWRXPPPQEN-GOSISDBHSA-N 2 0 357.542 3.409 20 0 FGADRP Cc1c2ccccc2oc1[C@H](C)[NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000414203903 499768368 /nfs/dbraw/zinc/76/83/68/499768368.db2.gz VRAKWHUTYCHOGP-SFHVURJKSA-N 2 0 371.525 3.188 20 0 FGADRP CN1CCC2(CC[NH+](Cc3cccc(C[NH+]4CCCCC4)c3)CC2)C1=O ZINC000411642201 499772121 /nfs/dbraw/zinc/77/21/21/499772121.db2.gz DUQWEIBYTZCCOV-UHFFFAOYSA-N 2 0 355.526 3.117 20 0 FGADRP C[C@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+]Cc1cnc(N(C)C)n1C ZINC000414289675 499774647 /nfs/dbraw/zinc/77/46/47/499774647.db2.gz RUQHSYCYSYIIHP-KRWDZBQOSA-N 2 0 355.530 3.150 20 0 FGADRP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2C[NH2+]Cc2cnc(N(C)C)n2C)C1 ZINC000414301160 499775522 /nfs/dbraw/zinc/77/55/22/499775522.db2.gz BIRJEKKXYNTKAY-QZTJIDSGSA-N 2 0 369.557 3.254 20 0 FGADRP CC[NH+](CC)Cc1cccc(C[NH2+]Cc2ccc(S(C)(=O)=O)s2)c1 ZINC000414319568 499777460 /nfs/dbraw/zinc/77/74/60/499777460.db2.gz ZLJAVWNREXVNTL-UHFFFAOYSA-N 2 0 366.552 3.283 20 0 FGADRP C[C@@H]1CC([NH2+]Cc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)C[C@@H](C)C1 ZINC000414323334 499777686 /nfs/dbraw/zinc/77/76/86/499777686.db2.gz IJZXTIIGPQSTNN-IRXDYDNUSA-N 2 0 357.542 3.298 20 0 FGADRP CCC[C@H]([NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1)C1CCC1 ZINC000414343528 499779436 /nfs/dbraw/zinc/77/94/36/499779436.db2.gz QLFNVLIUKCDIHJ-NRFANRHFSA-N 2 0 357.542 3.442 20 0 FGADRP C[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)[C@H]1C ZINC000414346377 499779535 /nfs/dbraw/zinc/77/95/35/499779535.db2.gz UTCAWHRUFFRYRT-LLGFUMIMSA-N 2 0 357.542 3.298 20 0 FGADRP CCc1ncc(C[NH2+]CCCOC2CC[NH+](Cc3ccccc3)CC2)cn1 ZINC000414359159 499780519 /nfs/dbraw/zinc/78/05/19/499780519.db2.gz DLEMATMNEVYOBX-UHFFFAOYSA-N 2 0 368.525 3.200 20 0 FGADRP [NH3+]C1(c2noc([C@H]3C[N@H+](Cc4ccccc4)CCC3(F)F)n2)CCCC1 ZINC000414631766 499815499 /nfs/dbraw/zinc/81/54/99/499815499.db2.gz XQUGXWMZYCOYRU-OAHLLOKOSA-N 2 0 362.424 3.422 20 0 FGADRP [NH3+]CC(=O)N1CCC[C@@H](C[N@@H+]2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000414670386 499819218 /nfs/dbraw/zinc/81/92/18/499819218.db2.gz DCVLUWXHQHMWBH-SUMWQHHRSA-N 2 0 370.324 3.328 20 0 FGADRP [NH3+]CC(=O)N1CCC[C@@H](C[N@@H+]2CCC[C@H]2c2cccc3ccccc32)C1 ZINC000414683487 499820515 /nfs/dbraw/zinc/82/05/15/499820515.db2.gz BGUVHNFOSZTNLF-UWJYYQICSA-N 2 0 351.494 3.174 20 0 FGADRP C[C@@H]1C[C@H](C[NH+]2CCN(Cc3ccc(Br)s3)CC2)CC[NH2+]1 ZINC000414731579 499824279 /nfs/dbraw/zinc/82/42/79/499824279.db2.gz HZYBXGJHLOKSFS-ZIAGYGMSSA-N 2 0 372.376 3.016 20 0 FGADRP C[C@H]1C[C@@H](C[NH+]2CCN(C(=O)c3cc(Cl)cc(Cl)c3)CC2)CC[NH2+]1 ZINC000414737101 499825218 /nfs/dbraw/zinc/82/52/18/499825218.db2.gz NVWRWHNPBROQNJ-KBPBESRZSA-N 2 0 370.324 3.139 20 0 FGADRP CCCN(C(=O)c1cccs1)C1CC[NH+](C[C@@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000414752524 499826738 /nfs/dbraw/zinc/82/67/38/499826738.db2.gz KYQCFMBQOSNOEA-IAGOWNOFSA-N 2 0 363.571 3.453 20 0 FGADRP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000414763806 499827957 /nfs/dbraw/zinc/82/79/57/499827957.db2.gz CNFASWXPXHUDPS-OYRHEFFESA-N 2 0 352.526 3.288 20 0 FGADRP c1cc(COc2ccc(C[N@@H+]3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)cc2)ccn1 ZINC000414773219 499829262 /nfs/dbraw/zinc/82/92/62/499829262.db2.gz DDZLCMLOQIVSHG-RTWAWAEBSA-N 2 0 351.494 3.482 20 0 FGADRP c1ccc(COc2cccc(C[N@@H+]3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)c2)nc1 ZINC000414774749 499829613 /nfs/dbraw/zinc/82/96/13/499829613.db2.gz FWMCRUZNMQABHF-UXHICEINSA-N 2 0 351.494 3.482 20 0 FGADRP COc1ccc(C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc1Br ZINC000414780311 499830529 /nfs/dbraw/zinc/83/05/29/499830529.db2.gz LIHGHHSCXSBPND-CABCVRRESA-N 2 0 353.304 3.279 20 0 FGADRP C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000414797207 499832291 /nfs/dbraw/zinc/83/22/91/499832291.db2.gz IHHULTKWXORASK-KYJSFNMBSA-N 2 0 351.922 3.184 20 0 FGADRP CCOc1c(Br)cc(C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])cc1OC ZINC000414800889 499832437 /nfs/dbraw/zinc/83/24/37/499832437.db2.gz LOCRFURECFUGNP-DZGCQCFKSA-N 2 0 371.319 3.464 20 0 FGADRP CCCOc1c(Br)cc(C[NH2+]C[C@H](C)C[NH2+]C)cc1OC ZINC000414847688 499837471 /nfs/dbraw/zinc/83/74/71/499837471.db2.gz WFATUWVKLQOCLI-GFCCVEGCSA-N 2 0 359.308 3.192 20 0 FGADRP COc1ccc([C@H]2CC[NH2+]C[C@@H]2NCc2cc(F)c(F)c(F)c2)cc1 ZINC000414883737 499841389 /nfs/dbraw/zinc/84/13/89/499841389.db2.gz NIRAHGARCWMFMN-QAPCUYQASA-N 2 0 350.384 3.348 20 0 FGADRP CCOc1cc(C[NH2+]CC2(C)CC[NH2+]CC2)cc(Br)c1OC ZINC000414902190 499843262 /nfs/dbraw/zinc/84/32/62/499843262.db2.gz JQGGGBXVULFIDC-UHFFFAOYSA-N 2 0 371.319 3.336 20 0 FGADRP COc1ccc(C(=O)Nc2cccc(CNC3(C)CC[NH2+]CC3)c2)cc1 ZINC000414930900 499845648 /nfs/dbraw/zinc/84/56/48/499845648.db2.gz BMDYNTXYLFBTBK-UHFFFAOYSA-N 2 0 353.466 3.179 20 0 FGADRP Cc1cccn2cc(COc3ccc(C[NH2+][C@@H]4CC[NH2+][C@H](C)C4)cc3)nc12 ZINC000414943541 499847275 /nfs/dbraw/zinc/84/72/75/499847275.db2.gz FOBPAKGTPVPSRF-IEBWSBKVSA-N 2 0 364.493 3.452 20 0 FGADRP C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000414964459 499849723 /nfs/dbraw/zinc/84/97/23/499849723.db2.gz DOTJHDNTUNBIPK-ZFWWWQNUSA-N 2 0 368.319 3.288 20 0 FGADRP COCC1(C[NH2+][C@H](C)Cc2ccc(Br)cc2F)CC[NH2+]CC1 ZINC000414970461 499850207 /nfs/dbraw/zinc/85/02/07/499850207.db2.gz HQIMWBGJCRKUNE-CYBMUJFWSA-N 2 0 373.310 3.125 20 0 FGADRP CC1(C)C[NH2+]CC[C@H]1[NH2+]Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000414982062 499851377 /nfs/dbraw/zinc/85/13/77/499851377.db2.gz YFVOFIZISYHKFR-OAHLLOKOSA-N 2 0 352.404 3.369 20 0 FGADRP COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]C[C@@H]1CCC[C@H]([NH3+])C1 ZINC000414997139 499853219 /nfs/dbraw/zinc/85/32/19/499853219.db2.gz HEAQGWMMJVORND-GUTXKFCHSA-N 2 0 353.894 3.173 20 0 FGADRP C[C@H](CCCC[NH3+])[NH2+][C@@H](C)CC(=O)Nc1cccc(Br)c1 ZINC000415013797 499855112 /nfs/dbraw/zinc/85/51/12/499855112.db2.gz KYZXDEZHXBEDTM-OLZOCXBDSA-N 2 0 356.308 3.273 20 0 FGADRP C[C@H](CCCC[NH3+])[NH2+]Cc1ncc(Br)cc1Br ZINC000415014206 499855213 /nfs/dbraw/zinc/85/52/13/499855213.db2.gz LORXISVMJMAJTG-SECBINFHSA-N 2 0 365.113 3.214 20 0 FGADRP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000415015740 499855413 /nfs/dbraw/zinc/85/54/13/499855413.db2.gz ZDHPNYAILLFDJI-RBBKRZOGSA-N 2 0 352.526 3.334 20 0 FGADRP C[C@H](CCCCN1C(=O)c2ccccc2C1=O)[NH2+]C[C@H]1CC[C@H](C[NH3+])CC1 ZINC000415020438 499855635 /nfs/dbraw/zinc/85/56/35/499855635.db2.gz GGHQZUXZTJDXMS-KZNAEPCWSA-N 2 0 371.525 3.196 20 0 FGADRP CC[NH+]1CCN(c2ccc(N[C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)c(C)c2)CC1 ZINC000415066328 499860259 /nfs/dbraw/zinc/86/02/59/499860259.db2.gz AJXNIZBATCHAGU-CEMLEFRQSA-N 2 0 356.558 3.470 20 0 FGADRP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+]CCOc1ncc(C(F)(F)F)cc1Cl ZINC000415081562 499861793 /nfs/dbraw/zinc/86/17/93/499861793.db2.gz KVDIAXIAWYGVGN-PWSUYJOCSA-N 2 0 351.800 3.253 20 0 FGADRP Cc1ccc(C[NH2+]C[C@H]2CCCN(C(=O)C[NH3+])C2)c(Oc2ccccc2)c1 ZINC000415088127 499862244 /nfs/dbraw/zinc/86/22/44/499862244.db2.gz USKXJBWREZDVAQ-GOSISDBHSA-N 2 0 367.493 3.074 20 0 FGADRP C[C@H]([NH2+]C1CCC([NH3+])CC1)c1nc(-c2ccc(Br)cc2)no1 ZINC000415100730 499863639 /nfs/dbraw/zinc/86/36/39/499863639.db2.gz HDBIVQWRACMAEP-FNBIGBAISA-N 2 0 365.275 3.420 20 0 FGADRP Cn1cc(-c2ccc(CN3C[C@@H](c4ccccc4F)[C@H]([NH3+])C3)s2)cn1 ZINC000415128967 499867450 /nfs/dbraw/zinc/86/74/50/499867450.db2.gz SXSSRERCGWZATI-FUHWJXTLSA-N 2 0 356.470 3.214 20 0 FGADRP CCCOc1ccc(C[NH+]2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)cc1OC ZINC000415127263 499867472 /nfs/dbraw/zinc/86/74/72/499867472.db2.gz QRMNQQBAZKSXFT-AZUAARDMSA-N 2 0 362.514 3.202 20 0 FGADRP [NH3+][C@H]1CCO[C@@H](C2CC[NH+](Cc3cccc(OCC(F)(F)F)c3)CC2)C1 ZINC000415129594 499867686 /nfs/dbraw/zinc/86/76/86/499867686.db2.gz VGLRFTMPMUKUPZ-FUHWJXTLSA-N 2 0 372.431 3.346 20 0 FGADRP CCCOc1cc(C[NH+]2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)ccc1OC ZINC000415130281 499867717 /nfs/dbraw/zinc/86/77/17/499867717.db2.gz WSJVIPKRMISRAC-ICSRJNTNSA-N 2 0 362.514 3.202 20 0 FGADRP C[C@H](C[NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1)CC1CCOCC1 ZINC000415134290 499868770 /nfs/dbraw/zinc/86/87/70/499868770.db2.gz OMKXMMLMKNEZPK-IBGZPJMESA-N 2 0 359.558 3.022 20 0 FGADRP C[C@@H](Cc1ccccc1F)[NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1 ZINC000415135769 499868772 /nfs/dbraw/zinc/86/87/72/499868772.db2.gz QOFCTLLQCGUSGC-SFHVURJKSA-N 2 0 355.501 3.340 20 0 FGADRP CC[NH+](CC)CCOc1ccc(NC(=O)N2CCCC[C@@H]2[C@H](C)[NH3+])cc1 ZINC000415172998 499873183 /nfs/dbraw/zinc/87/31/83/499873183.db2.gz AXEWXYYCZSGUDH-QFBILLFUSA-N 2 0 362.518 3.141 20 0 FGADRP CC[NH+](CC)CCOc1ccc(NC(=O)N2CCC3(C2)CC[NH2+]CC3)cc1 ZINC000415190018 499875235 /nfs/dbraw/zinc/87/52/35/499875235.db2.gz XCNUXSOYGFUWEQ-UHFFFAOYSA-N 2 0 374.529 3.015 20 0 FGADRP C[NH2+]C[C@H]1CCN(C(=O)Nc2cccc(CC[NH+]3CCC(C)CC3)c2)C1 ZINC000415394422 499891240 /nfs/dbraw/zinc/89/12/40/499891240.db2.gz QNDIEDPKAVEDJS-LJQANCHMSA-N 2 0 358.530 3.034 20 0 FGADRP COc1ccc2cc(C[NH2+]Cc3ccncc3OCC[NH+](C)C)ccc2c1 ZINC000579400340 506165151 /nfs/dbraw/zinc/16/51/51/506165151.db2.gz RRWXKLRPXLPCLT-UHFFFAOYSA-N 2 0 365.477 3.474 20 0 FGADRP C[C@H](CCC[NH3+])NC(=O)Nc1cc(Cl)ccc1OC1CC[NH+](C)CC1 ZINC000415802711 499919547 /nfs/dbraw/zinc/91/95/47/499919547.db2.gz IQONRQKYLRHGRJ-CYBMUJFWSA-N 2 0 368.909 3.062 20 0 FGADRP CCCC[N@H+](C)CC1CCN(C(=O)Nc2ccc3c(c2)C[NH2+]CC3)CC1 ZINC000415884664 499924227 /nfs/dbraw/zinc/92/42/27/499924227.db2.gz QMLOZCXSACHKCW-UHFFFAOYSA-N 2 0 358.530 3.308 20 0 FGADRP CC[NH2+]Cc1ccccc1NC(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000415916253 499927938 /nfs/dbraw/zinc/92/79/38/499927938.db2.gz BHMDRODPNMHGEP-GOSISDBHSA-N 2 0 356.470 3.348 20 0 FGADRP CC[NH2+]Cc1ccccc1NC(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000415922339 499928844 /nfs/dbraw/zinc/92/88/44/499928844.db2.gz SHPSVKBQFFUTDF-UTKZUKDTSA-N 2 0 366.509 3.438 20 0 FGADRP C[NH2+]Cc1cccc(NC(=O)NC[C@@H](c2ccc(C)o2)[NH+]2CCCC2)c1 ZINC000415924481 499929028 /nfs/dbraw/zinc/92/90/28/499929028.db2.gz YLYBHOAZZUCRCX-SFHVURJKSA-N 2 0 356.470 3.266 20 0 FGADRP CSc1ccc([C@@H](CNC(=O)Nc2ccc(C[NH3+])cc2)[NH+](C)C)cc1 ZINC000415959007 499933732 /nfs/dbraw/zinc/93/37/32/499933732.db2.gz OWKNDAFJCDCMGW-GOSISDBHSA-N 2 0 358.511 3.292 20 0 FGADRP CCc1ccc([C@H](CNC(=O)Nc2ccc(OCC[NH3+])cc2)[NH+](C)C)cc1 ZINC000415965819 499934528 /nfs/dbraw/zinc/93/45/28/499934528.db2.gz VJMVTRADVAEUPT-FQEVSTJZSA-N 2 0 370.497 3.011 20 0 FGADRP CC[C@H](CNC(=O)Nc1ccc(C[NH3+])cc1)[N@@H+]1CCc2ccccc2C1 ZINC000415973658 499936023 /nfs/dbraw/zinc/93/60/23/499936023.db2.gz JRZXQRYYNQCACA-HXUWFJFHSA-N 2 0 352.482 3.104 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)Nc2ccc3c(c2)C[NH2+]C3)C1 ZINC000415996081 499939075 /nfs/dbraw/zinc/93/90/75/499939075.db2.gz LYNIBBLNZXNYCT-SJORKVTESA-N 2 0 356.514 3.408 20 0 FGADRP C[C@@H]1CN(C(=O)NC2CCC(C[NH+](C)C)CC2)CCN1Cc1ccccc1 ZINC000413406447 499949647 /nfs/dbraw/zinc/94/96/47/499949647.db2.gz QJNJBQILXMIQBT-KMFTYDHNSA-N 2 0 372.557 3.023 20 0 FGADRP C(=C\C[N@@H+]1CCOC[C@@H](C2CCC2)C1)\C[NH+]1CCOC[C@H](C2CCC2)C1 ZINC000429033363 499989089 /nfs/dbraw/zinc/98/90/89/499989089.db2.gz FXGXBHVOWWNDLV-LJLUTMTPSA-N 2 0 362.558 3.040 20 0 FGADRP CCc1nc(C(C)C)ccc1C[N@@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000582254313 506169720 /nfs/dbraw/zinc/16/97/20/506169720.db2.gz YBNLIPVFZYRULR-HXUWFJFHSA-N 2 0 358.574 3.368 20 0 FGADRP C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)N[C@@H]2CCC[C@H]2C[NH3+])c1 ZINC000429163664 500016766 /nfs/dbraw/zinc/01/67/66/500016766.db2.gz NUWZQUSLCUGGKS-LEWJYISDSA-N 2 0 351.494 3.176 20 0 FGADRP O=C(NCC[C@@H]1CCC[NH2+]C1)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000417328621 500041246 /nfs/dbraw/zinc/04/12/46/500041246.db2.gz CPJIZWTULQHXMS-IBGZPJMESA-N 2 0 372.557 3.252 20 0 FGADRP Cc1ccc([C@H](CNC(=O)N(C)CC[C@@H]([NH3+])C(C)C)[NH+]2CCCC2)cc1 ZINC000417356880 500047580 /nfs/dbraw/zinc/04/75/80/500047580.db2.gz QMOFFSRXEAODEX-UXHICEINSA-N 2 0 360.546 3.147 20 0 FGADRP CSC1(C[NH2+]Cc2c[nH]nc2-c2c(F)cccc2F)CC[NH+](C)CC1 ZINC000582270734 506173330 /nfs/dbraw/zinc/17/33/30/506173330.db2.gz QQEFRUFJBVJQFY-UHFFFAOYSA-N 2 0 366.481 3.272 20 0 FGADRP CCCC[NH+]1CCC(NC(=O)N[C@@H](C[NH3+])c2ccc3ccccc3c2)CC1 ZINC000417400216 500061208 /nfs/dbraw/zinc/06/12/08/500061208.db2.gz XWYWPXRGLCRYKU-NRFANRHFSA-N 2 0 368.525 3.403 20 0 FGADRP C[C@@H]1CN(C(=O)c2cccc(C[N@H+](C)Cc3ccccc3)c2)C[C@@H](C)[NH2+]1 ZINC000429413347 500073339 /nfs/dbraw/zinc/07/33/39/500073339.db2.gz UHZQBKIOWNUQTA-QZTJIDSGSA-N 2 0 351.494 3.141 20 0 FGADRP C[C@H]([NH3+])C1CCN(C(=O)NCc2cccc(C[NH+]3CCC(C)CC3)c2)CC1 ZINC000417466450 500082054 /nfs/dbraw/zinc/08/20/54/500082054.db2.gz KINRCWBVCYINPI-SFHVURJKSA-N 2 0 372.557 3.187 20 0 FGADRP COC1(C[C@@H](C)[NH2+]CCCN2CC[N@H+](C)C[C@@H]2c2ccccc2)CCC1 ZINC000429520489 500092597 /nfs/dbraw/zinc/09/25/97/500092597.db2.gz SONZZJAVRMSRSY-TZIWHRDSSA-N 2 0 359.558 3.303 20 0 FGADRP C[NH+](C)[C@@H]1CCC[N@H+](CCC(=O)Nc2cccc(C(F)(F)F)c2)CC1 ZINC000429535420 500095412 /nfs/dbraw/zinc/09/54/12/500095412.db2.gz ICOOZKFMMGWMOQ-MRXNPFEDSA-N 2 0 357.420 3.450 20 0 FGADRP C[C@H]1C[NH+](CCC2CC[NH+](CCN(C)Cc3ccccc3)CC2)C[C@H](C)O1 ZINC000429686533 500124300 /nfs/dbraw/zinc/12/43/00/500124300.db2.gz ZPPZNSFGOQLHSZ-SFTDATJTSA-N 2 0 373.585 3.330 20 0 FGADRP O=C(NCCC[C@@H]1CCC[NH2+]1)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000417621742 500127512 /nfs/dbraw/zinc/12/75/12/500127512.db2.gz LCVLZYQUVKYDJD-NRFANRHFSA-N 2 0 372.557 3.394 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N1CCC[C@@H]1C[NH2+]C)c1ccccc1Cl ZINC000416855224 500139276 /nfs/dbraw/zinc/13/92/76/500139276.db2.gz VTYMYEKHWQAEPQ-CRAIPNDOSA-N 2 0 366.937 3.116 20 0 FGADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000416906800 500152489 /nfs/dbraw/zinc/15/24/89/500152489.db2.gz SQKUHXDMQRQJIA-HXUWFJFHSA-N 2 0 360.546 3.187 20 0 FGADRP CCC(CC)(CNC(=O)NCC[C@@H]1CC[NH2+]C1)[NH2+][C@H](C)c1ccccc1 ZINC000417702730 500152517 /nfs/dbraw/zinc/15/25/17/500152517.db2.gz KXNSDZGPPXEVFC-MSOLQXFVSA-N 2 0 360.546 3.195 20 0 FGADRP CCC(CC)(CNC(=O)N(C1CC1)[C@@H]1CC[NH2+]C1)[NH2+][C@@H](C)c1ccccc1 ZINC000417705732 500153268 /nfs/dbraw/zinc/15/32/68/500153268.db2.gz NUOZHJIYSFIATL-FXAWDEMLSA-N 2 0 372.557 3.432 20 0 FGADRP C[C@@H]([NH2+]C1(CNC(=O)NC[C@@]2(C)CCC[NH2+]C2)CCCC1)c1ccccc1 ZINC000417710026 500154417 /nfs/dbraw/zinc/15/44/17/500154417.db2.gz UBYMDYYONOIYNC-NQIIRXRSSA-N 2 0 372.557 3.339 20 0 FGADRP COc1ccc([C@@H]([NH2+]C[C@@H](C(C)C)N2CC[NH+](C)CC2)C2CC2)c(F)c1 ZINC000421818583 500158465 /nfs/dbraw/zinc/15/84/65/500158465.db2.gz BNQGXFSCWPOKFS-SFTDATJTSA-N 2 0 363.521 3.147 20 0 FGADRP C[C@H](Cc1ccc(F)cc1Cl)[NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000421847094 500163040 /nfs/dbraw/zinc/16/30/40/500163040.db2.gz VYGWAPJBGFTKAK-UPRAQXHNSA-N 2 0 354.897 3.378 20 0 FGADRP C[C@H](CCCC[NH3+])NC(=O)NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000416969163 500169145 /nfs/dbraw/zinc/16/91/45/500169145.db2.gz KIBQNYVLVUSNOD-QZTJIDSGSA-N 2 0 360.546 3.235 20 0 FGADRP C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)NCC[C@@H]2CCC[NH2+]C2)C1 ZINC000416972368 500171332 /nfs/dbraw/zinc/17/13/32/500171332.db2.gz RRVFISJZHDCZKL-OALUTQOASA-N 2 0 372.557 3.107 20 0 FGADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)NCc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000416973191 500171722 /nfs/dbraw/zinc/17/17/22/500171722.db2.gz UIEYFDWTHKVYHE-GHTZIAJQSA-N 2 0 374.573 3.433 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)NCCC1=CC[NH2+]CC1 ZINC000416973284 500171752 /nfs/dbraw/zinc/17/17/52/500171752.db2.gz JPUVRFIOSZNUKF-GOSISDBHSA-N 2 0 370.541 3.170 20 0 FGADRP C[NH2+][C@H]1CCCN(C(=O)NCc2ccc(C[N@H+]3C[C@H](C)C[C@H](C)C3)cc2)C1 ZINC000416983947 500174888 /nfs/dbraw/zinc/17/48/88/500174888.db2.gz GJTZTCVTGLQGLL-UEXGIBASSA-N 2 0 372.557 3.058 20 0 FGADRP C[NH2+]C[C@H]1CCCN(C(=O)NCc2ccccc2C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000416984159 500175026 /nfs/dbraw/zinc/17/50/26/500175026.db2.gz XUABVRNATAUOFR-RBUKOAKNSA-N 2 0 372.557 3.202 20 0 FGADRP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)NCCC[NH2+]C1CC1 ZINC000416983578 500175223 /nfs/dbraw/zinc/17/52/23/500175223.db2.gz XITSNQNXTLJVLW-KRWDZBQOSA-N 2 0 358.530 3.002 20 0 FGADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)NCC[C@@H]2CCC[NH2+]C2)cc1 ZINC000416985552 500175702 /nfs/dbraw/zinc/17/57/02/500175702.db2.gz YOJBUPDOFZJIJT-OALUTQOASA-N 2 0 372.557 3.250 20 0 FGADRP C[C@H]1[C@H](NC(=O)Nc2ccccc2-c2ncc3n2CCCC3)CCC[N@@H+]1C ZINC000425669308 500176052 /nfs/dbraw/zinc/17/60/52/500176052.db2.gz CKJHUNDPYGSTCH-MAUKXSAKSA-N 2 0 367.497 3.491 20 0 FGADRP CC[NH+](CC)Cc1cccc(CNC(=O)N2CCC(CC[NH2+]C)CC2)c1 ZINC000416991692 500178058 /nfs/dbraw/zinc/17/80/58/500178058.db2.gz YGXWUWWAWVYQAE-UHFFFAOYSA-N 2 0 360.546 3.060 20 0 FGADRP CC[NH2+]CC1CCN(C(=O)NC[C@H](c2ccsc2)[NH+](CC)CC)CC1 ZINC000416998580 500180130 /nfs/dbraw/zinc/18/01/30/500180130.db2.gz BDLFTRXTLCPSSM-GOSISDBHSA-N 2 0 366.575 3.162 20 0 FGADRP COc1ccccc1-c1ncc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)cn1 ZINC000430012567 500180735 /nfs/dbraw/zinc/18/07/35/500180735.db2.gz LAOOGJWSHZDVDT-UHFFFAOYSA-N 2 0 366.509 3.460 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)NC[C@H]([NH3+])c1ccccc1)c1ccsc1 ZINC000417002046 500181049 /nfs/dbraw/zinc/18/10/49/500181049.db2.gz FPUJGIAIVMDMGE-ZWKOTPCHSA-N 2 0 360.527 3.130 20 0 FGADRP C[NH+](C)C1CCN(CC[NH2+]Cc2cc(Cl)ccc2OCC2CC2)CC1 ZINC000430015075 500181459 /nfs/dbraw/zinc/18/14/59/500181459.db2.gz HGKAKPVGKUQNMJ-UHFFFAOYSA-N 2 0 365.949 3.244 20 0 FGADRP CC(C)CC[NH+]1CCC(CNC(=O)N(CCC[NH3+])Cc2ccccc2)CC1 ZINC000417842510 500182589 /nfs/dbraw/zinc/18/25/89/500182589.db2.gz MNYGANOXFDZCNU-UHFFFAOYSA-N 2 0 374.573 3.305 20 0 FGADRP CC(C)C[C@H](CNC(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2)[NH2+][C@@H](C)c1ccccc1 ZINC000417866610 500186964 /nfs/dbraw/zinc/18/69/64/500186964.db2.gz DPTMRZYMVKHHBL-FYZZASKESA-N 2 0 372.557 3.288 20 0 FGADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)N[C@@H](C[NH3+])c2ccc3ccccc3c2)C1 ZINC000417872089 500188030 /nfs/dbraw/zinc/18/80/30/500188030.db2.gz IIEAVLCFRRRVPY-UTKZUKDTSA-N 2 0 368.525 3.117 20 0 FGADRP C[NH2+]C[C@@H]1CCCN1C(=O)NC[C@@H](CC(C)C)[NH2+][C@H](C)c1ccccc1 ZINC000417872716 500188889 /nfs/dbraw/zinc/18/88/89/500188889.db2.gz LFEUYDLFUQWLNR-RLLQIKCJSA-N 2 0 360.546 3.145 20 0 FGADRP CC(C)C[C@H](CNC(=O)N1CCC(C[NH3+])CC1)[NH2+][C@H](C)c1ccccc1 ZINC000417874291 500189370 /nfs/dbraw/zinc/18/93/70/500189370.db2.gz NADYAEMPLWEMCW-YLJYHZDGSA-N 2 0 360.546 3.132 20 0 FGADRP CC(C)C[C@H](CNC(=O)N1CC[C@@](C)(C[NH3+])C1)[NH2+][C@H](C)c1ccccc1 ZINC000417877893 500189830 /nfs/dbraw/zinc/18/98/30/500189830.db2.gz QIVZLRQCLWRBIT-QFUCXCTJSA-N 2 0 360.546 3.132 20 0 FGADRP CCCC[N@H+](CC)Cc1cccc(CNC(=O)N2CC[C@@H]([C@@H](C)[NH3+])C2)c1 ZINC000417879484 500190346 /nfs/dbraw/zinc/19/03/46/500190346.db2.gz PQEDXZRPCKQVJM-YLJYHZDGSA-N 2 0 360.546 3.187 20 0 FGADRP CC(C)C[C@H](CNC(=O)N[C@@H]1CC[C@H](C[NH3+])C1)[NH2+][C@@H](C)c1ccccc1 ZINC000417883476 500191356 /nfs/dbraw/zinc/19/13/56/500191356.db2.gz WLIBHLZVXWCJAO-RAUXBKROSA-N 2 0 360.546 3.179 20 0 FGADRP CCCC[N@H+](CC)Cc1cccc(CNC(=O)N2CCC(C[NH3+])CC2)c1 ZINC000417886536 500192009 /nfs/dbraw/zinc/19/20/09/500192009.db2.gz WAVPCISZIANDTK-UHFFFAOYSA-N 2 0 360.546 3.189 20 0 FGADRP C[C@@H]1C[C@H](CCNC(=O)N[C@H]2CCCC[C@H]2C[NH3+])C[N@@H+]1Cc1ccccc1 ZINC000417918583 500197845 /nfs/dbraw/zinc/19/78/45/500197845.db2.gz FOOQEFHSUVJQSG-HZEGPAAWSA-N 2 0 372.557 3.104 20 0 FGADRP CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)N[C@H](CCC[NH3+])c1ccccc1 ZINC000417920684 500198230 /nfs/dbraw/zinc/19/82/30/500198230.db2.gz QRAXMYNEWGRAIW-VQTJNVASSA-N 2 0 360.546 3.276 20 0 FGADRP CCOc1ccc(CN(C)C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000425944684 500215107 /nfs/dbraw/zinc/21/51/07/500215107.db2.gz NYIMNICZPGAHON-QFIPXVFZSA-N 2 0 354.494 3.154 20 0 FGADRP CC1=C[C@H](C)C[N@@H+]([C@@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000430260967 500217740 /nfs/dbraw/zinc/21/77/40/500217740.db2.gz IBCSBPKRLNGMRH-HKUYNNGSSA-N 2 0 355.526 3.054 20 0 FGADRP C[NH+](C)CCc1ccc(CNC(=O)N[C@H](CCC[NH3+])c2ccccc2)cc1 ZINC000418053334 500221737 /nfs/dbraw/zinc/22/17/37/500221737.db2.gz BZLMBLCRBQXWMH-OAQYLSRUSA-N 2 0 368.525 3.070 20 0 FGADRP OC1(C[NH2+]C[C@@H]2C[C@H]2c2ccccc2)CC[NH+](Cc2ccccc2)CC1 ZINC000418094995 500228059 /nfs/dbraw/zinc/22/80/59/500228059.db2.gz IRHHOTYYPZHJAA-VXKWHMMOSA-N 2 0 350.506 3.407 20 0 FGADRP CC[NH+]1CCC(N2CCCN(C(=O)N[C@H]3C[C@H](C)C[C@H](C)C3)CC2)CC1 ZINC000422224333 500237318 /nfs/dbraw/zinc/23/73/18/500237318.db2.gz DZEDIGVXSCOLOV-BWTSREIZSA-N 2 0 364.578 3.013 20 0 FGADRP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000418151221 500238479 /nfs/dbraw/zinc/23/84/79/500238479.db2.gz FGKWSCOZKGFSFR-WOJBJXKFSA-N 2 0 372.557 3.058 20 0 FGADRP CCc1ccc([C@@H](CNC(=O)N2CC[C@](C)(C[NH3+])C2)[NH+](CC)CC)cc1 ZINC000418222376 500251926 /nfs/dbraw/zinc/25/19/26/500251926.db2.gz WXEWWHXUEAAJDX-TZIWHRDSSA-N 2 0 360.546 3.012 20 0 FGADRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000418231556 500253227 /nfs/dbraw/zinc/25/32/27/500253227.db2.gz GQHBHXVGLMOLPS-RTWAWAEBSA-N 2 0 374.573 3.304 20 0 FGADRP CSc1ccc([C@@H](CNC(=O)N(C)CC[C@@H]([NH3+])C(C)C)[NH+](C)C)cc1 ZINC000418229261 500253277 /nfs/dbraw/zinc/25/32/77/500253277.db2.gz GONHFGFABQHDKQ-QZTJIDSGSA-N 2 0 366.575 3.026 20 0 FGADRP CC(C)c1ccc([C@H]([NH3+])CNC(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)cc1 ZINC000418352608 500267157 /nfs/dbraw/zinc/26/71/57/500267157.db2.gz MUNSWDDDQYWDCW-NHCUHLMSSA-N 2 0 372.557 3.470 20 0 FGADRP CC(C)c1ccc([C@@H]([NH3+])CNC(=O)N2CCC([NH+]3CCCCC3)CC2)cc1 ZINC000418363388 500268453 /nfs/dbraw/zinc/26/84/53/500268453.db2.gz VSGGGGJMJYUJEH-NRFANRHFSA-N 2 0 372.557 3.470 20 0 FGADRP CC(C)C[C@H](C[NH3+])NC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000418409478 500273203 /nfs/dbraw/zinc/27/32/03/500273203.db2.gz AIESOVRXSNWKAR-RLLQIKCJSA-N 2 0 360.546 3.054 20 0 FGADRP CCN(C(=O)N[C@H](C[NH3+])CC(C)C)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000418425231 500275042 /nfs/dbraw/zinc/27/50/42/500275042.db2.gz JEWQVWHNYQHHAO-IHPCNDPISA-N 2 0 360.546 3.227 20 0 FGADRP CCCC[C@@H](C[NH3+])NC(=O)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000418450335 500277998 /nfs/dbraw/zinc/27/79/98/500277998.db2.gz TXGIPTKYCVXQHQ-FQEVSTJZSA-N 2 0 372.557 3.202 20 0 FGADRP C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)NC(C)(C)CC[NH3+])C1 ZINC000422587446 500278342 /nfs/dbraw/zinc/27/83/42/500278342.db2.gz DVKFWCXEZGKXJE-IRXDYDNUSA-N 2 0 360.546 3.091 20 0 FGADRP CCC1(CNC(=O)NC(C)(C)CC[NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000422604020 500280929 /nfs/dbraw/zinc/28/09/29/500280929.db2.gz NDPRYMXQZDEQSI-UHFFFAOYSA-N 2 0 360.546 3.105 20 0 FGADRP Cc1ccc(-c2noc(CCC[N@@H+]3C[C@H](C[NH3+])[C@H](C)C[C@H]3C)n2)cc1F ZINC000422641646 500285398 /nfs/dbraw/zinc/28/53/98/500285398.db2.gz YETDHZWQKPNBKH-INMHGKMJSA-N 2 0 360.477 3.422 20 0 FGADRP [NH3+]CC1CCC([NH2+][C@@H]2CCN(c3ccc(Br)cc3)C2)CC1 ZINC000422700886 500286948 /nfs/dbraw/zinc/28/69/48/500286948.db2.gz AYSWDBMVYZANEZ-AVVWSFFYSA-N 2 0 352.320 3.135 20 0 FGADRP CCOc1ccccc1Oc1ccc(C[NH2+][C@@H]2CCOC[C@@H]2[C@H](C)[NH3+])cn1 ZINC000422696406 500287184 /nfs/dbraw/zinc/28/71/84/500287184.db2.gz RNYGFJFLKVXMLC-CGTJXYLNSA-N 2 0 371.481 3.115 20 0 FGADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000422717804 500289329 /nfs/dbraw/zinc/28/93/29/500289329.db2.gz PDZAWJOVPGVOFB-XLIONFOSSA-N 3 0 352.526 3.064 20 0 FGADRP c1ccc2c(c1)O[C@@]1(CC[NH2+]C1)C[C@H]2[NH2+]CCCCC[NH+]1CCCCC1 ZINC000422720214 500290258 /nfs/dbraw/zinc/29/02/58/500290258.db2.gz SFZBZTMXGDTTIG-IRLDBZIGSA-N 3 0 357.542 3.488 20 0 FGADRP CSc1nnc(CCC[NH2+][C@H](C)C[C@H]2CCCCC[NH2+]2)n1CC(C)C ZINC000422727317 500291103 /nfs/dbraw/zinc/29/11/03/500291103.db2.gz HCTPAYBFMLRYDF-IAGOWNOFSA-N 2 0 367.607 3.489 20 0 FGADRP COc1ccc(CCC[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422730127 500291109 /nfs/dbraw/zinc/29/11/09/500291109.db2.gz DJKKJPCAKXHZMU-IRLDBZIGSA-N 2 0 352.478 3.473 20 0 FGADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000422734020 500291376 /nfs/dbraw/zinc/29/13/76/500291376.db2.gz BZALKJQPVDROFO-NQIIRXRSSA-N 3 0 359.558 3.044 20 0 FGADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C[C@H](c1cccs1)N1CCOCC1 ZINC000422739639 500292192 /nfs/dbraw/zinc/29/21/92/500292192.db2.gz AKKFUMYFEONPEK-FGTMMUONSA-N 2 0 351.560 3.022 20 0 FGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+][C@H](C)CCCC[NH3+])CC1 ZINC000422746929 500293727 /nfs/dbraw/zinc/29/37/27/500293727.db2.gz XOBIJLYGILMIIZ-IAGOWNOFSA-N 3 0 350.526 3.136 20 0 FGADRP FC(F)Oc1ccccc1N1CC[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000422756782 500294391 /nfs/dbraw/zinc/29/43/91/500294391.db2.gz IAMCQOODBFTMHQ-VVLHAWIVSA-N 2 0 365.468 3.377 20 0 FGADRP CCOC(=O)C1([C@H](C)[NH2+][C@H](CC)c2ccc(F)cc2F)CC[NH2+]CC1 ZINC000422753356 500294620 /nfs/dbraw/zinc/29/46/20/500294620.db2.gz CEJXZDJQDZPEFB-SUMWQHHRSA-N 2 0 354.441 3.327 20 0 FGADRP COC[C@@H](CCC[NH3+])[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000422763510 500295319 /nfs/dbraw/zinc/29/53/19/500295319.db2.gz JDAJUQBKPLLOQP-HXUWFJFHSA-N 2 0 364.493 3.383 20 0 FGADRP COc1cccc(N2CCC[C@H]([NH2+][C@@H](C)c3ccc(C[NH3+])nc3C)C2)c1 ZINC000422768873 500295683 /nfs/dbraw/zinc/29/56/83/500295683.db2.gz VAFDJBUEPVBEOG-WMZOPIPTSA-N 2 0 354.498 3.177 20 0 FGADRP COc1cccc(N2CCC[C@H]([NH2+][C@H](C)c3ccc(C[NH3+])nc3C)C2)c1 ZINC000422768861 500295745 /nfs/dbraw/zinc/29/57/45/500295745.db2.gz VAFDJBUEPVBEOG-AEFFLSMTSA-N 2 0 354.498 3.177 20 0 FGADRP COCc1cc(C[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)ccc1F ZINC000422771107 500296132 /nfs/dbraw/zinc/29/61/32/500296132.db2.gz VKHFXCVQVGLPGR-CTNGQTDRSA-N 2 0 356.441 3.318 20 0 FGADRP Clc1ccccc1N1CCC[C@H]([NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000422780642 500296400 /nfs/dbraw/zinc/29/64/00/500296400.db2.gz JQBJPWFSZMNIAL-PBWTXFEYSA-N 2 0 363.933 3.056 20 0 FGADRP C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)N[C@@H](C[NH3+])C2CCCC2)CC1 ZINC000418627532 500297927 /nfs/dbraw/zinc/29/79/27/500297927.db2.gz UTDKLMLWZKSZMM-NRFANRHFSA-N 2 0 372.557 3.058 20 0 FGADRP CC[C@@H]([NH2+]CCCC[NH+]1CCN(c2cccc(C)c2)CC1)[C@@H]1CCC[NH2+]1 ZINC000422813081 500301353 /nfs/dbraw/zinc/30/13/53/500301353.db2.gz RKEHXHIXELDXSN-YADHBBJMSA-N 3 0 358.574 3.017 20 0 FGADRP [NH3+]CCC[C@H](NC(=O)N1CC[NH+](C2CCCCC2)CC1)c1ccccc1 ZINC000418655478 500301971 /nfs/dbraw/zinc/30/19/71/500301971.db2.gz CTIUNXPCEOTITE-FQEVSTJZSA-N 2 0 358.530 3.127 20 0 FGADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CCC1CCN(CC(F)(F)F)CC1 ZINC000422820969 500302084 /nfs/dbraw/zinc/30/20/84/500302084.db2.gz TWKTXOJKYPEGQT-CYBMUJFWSA-N 2 0 358.452 3.164 20 0 FGADRP CCOC(=O)C1([C@H](C)[NH2+]C[C@@H]2CCCC[C@@H]2C(F)(F)F)CC[NH2+]CC1 ZINC000422817771 500302125 /nfs/dbraw/zinc/30/21/25/500302125.db2.gz IJGBRMDQNFHNBR-KKUMJFAQSA-N 2 0 364.452 3.266 20 0 FGADRP c1ccc2c(c1)O[C@@]1(CC[NH2+]C1)C[C@@H]2[NH2+]Cc1ccnc(N2CCCC2)c1 ZINC000422821939 500302910 /nfs/dbraw/zinc/30/29/10/500302910.db2.gz ZHUKEKSNUFMILL-UGKGYDQZSA-N 2 0 364.493 3.027 20 0 FGADRP FC(F)(F)c1ccc(NCCC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)nc1 ZINC000422833320 500303241 /nfs/dbraw/zinc/30/32/41/500303241.db2.gz MLCSEVBJRQDLAB-IXDOHACOSA-N 2 0 370.463 3.225 20 0 FGADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@@H]1CCCN(Cc2cccs2)C1 ZINC000422840453 500303871 /nfs/dbraw/zinc/30/38/71/500303871.db2.gz SYHGLNMDXBSXHA-RDJZCZTQSA-N 2 0 358.555 3.473 20 0 FGADRP [NH3+]CCC[C@@H](NC(=O)N[C@H](CCC[NH3+])c1ccccc1)c1ccccc1 ZINC000418665138 500304246 /nfs/dbraw/zinc/30/42/46/500304246.db2.gz DUAUDUCWQUUSKH-WOJBJXKFSA-N 2 0 354.498 3.246 20 0 FGADRP O=C([C@H]1CCC[N@@H+]1C1CC1)N1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000426672626 500304914 /nfs/dbraw/zinc/30/49/14/500304914.db2.gz SBIROOONAGJOGC-GGAORHGYSA-N 2 0 367.537 3.128 20 0 FGADRP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N[C@H](C)CCCC[NH3+] ZINC000418678509 500306695 /nfs/dbraw/zinc/30/66/95/500306695.db2.gz VPBXJQOPMRCUHH-UYAOXDASSA-N 2 0 360.546 3.058 20 0 FGADRP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N[C@H](C)CCCC[NH3+] ZINC000418678508 500306778 /nfs/dbraw/zinc/30/67/78/500306778.db2.gz VPBXJQOPMRCUHH-QUCCMNQESA-N 2 0 360.546 3.058 20 0 FGADRP C[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)N1CCN(c2ccccc2)CC1 ZINC000422866106 500307319 /nfs/dbraw/zinc/30/73/19/500307319.db2.gz PUQGUCNCEHROKY-JMJGKCIBSA-N 2 0 370.585 3.098 20 0 FGADRP COc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)cc1Br ZINC000422874477 500308936 /nfs/dbraw/zinc/30/89/36/500308936.db2.gz ACRAARHTGDVQRV-NUEKZKHPSA-N 2 0 353.304 3.468 20 0 FGADRP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)N[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422878224 500309461 /nfs/dbraw/zinc/30/94/61/500309461.db2.gz JPVQZBSQVBDNNW-FFUNNMLOSA-N 2 0 357.542 3.198 20 0 FGADRP CC[NH+](CC)CCN(Cc1ccccc1)C(=O)NC[C@@H]1CCC[C@H]([NH3+])C1 ZINC000418706754 500310148 /nfs/dbraw/zinc/31/01/48/500310148.db2.gz BEAMGUKMHNVEQW-UXHICEINSA-N 2 0 360.546 3.058 20 0 FGADRP COC[C@H](CCC[NH3+])[NH2+]Cc1cc(Cl)cc(Cl)c1OC(F)F ZINC000422882252 500310329 /nfs/dbraw/zinc/31/03/29/500310329.db2.gz ZUILBSXTNQOQGK-NSHDSACASA-N 2 0 357.228 3.438 20 0 FGADRP C[C@@H]1CCC[N@H+](CCCC[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000422886523 500310616 /nfs/dbraw/zinc/31/06/16/500310616.db2.gz WTMVVDQJORUJQY-UZKOGDIHSA-N 3 0 357.542 3.344 20 0 FGADRP CC[C@H](C)[C@@H]([NH2+][C@@H](C)C1C[NH2+]C1)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC000422886212 500310665 /nfs/dbraw/zinc/31/06/65/500310665.db2.gz IGRZKQNHAIUUAU-NPPFBWRTSA-N 2 0 371.569 3.080 20 0 FGADRP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000418715875 500311684 /nfs/dbraw/zinc/31/16/84/500311684.db2.gz BPOYHTCFPUKGRB-NJDAHSKKSA-N 2 0 372.557 3.058 20 0 FGADRP CCOC(=O)C1([C@H](C)[NH2+]Cc2cccc(OCC(C)C)c2)CC[NH2+]CC1 ZINC000422894460 500312290 /nfs/dbraw/zinc/31/22/90/500312290.db2.gz CFNJZCOJSYYLNH-KRWDZBQOSA-N 2 0 362.514 3.132 20 0 FGADRP C[C@@H]1CN(CC(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)CC[C@@H]1[NH3+] ZINC000430952262 500312542 /nfs/dbraw/zinc/31/25/42/500312542.db2.gz YJYAUZGKPKMTOV-OAUYIBNBSA-N 2 0 370.324 3.326 20 0 FGADRP Cc1ccc([C@@H](NC(=O)C[NH+]2CCC([C@H](C)[NH3+])CC2)c2cccs2)cc1 ZINC000430956341 500313131 /nfs/dbraw/zinc/31/31/31/500313131.db2.gz OGPNTZPLDAPJHT-HRAATJIYSA-N 2 0 371.550 3.321 20 0 FGADRP COCCOc1cccc(C[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000422901858 500313552 /nfs/dbraw/zinc/31/35/52/500313552.db2.gz SMHAZNREUXYOJL-IFMALSPDSA-N 2 0 368.477 3.057 20 0 FGADRP C[NH2+]CC1CC[NH+](CC(=O)N[C@H](c2ccccc2)C2CCCCC2)CC1 ZINC000430964709 500314443 /nfs/dbraw/zinc/31/44/43/500314443.db2.gz IVBFZNTVJLGGSX-JOCHJYFZSA-N 2 0 357.542 3.356 20 0 FGADRP C[C@@H]1C[C@H](N(C)C(=O)NC[C@H]2CCC[C@H]([NH3+])C2)CC[N@@H+]1Cc1ccccc1 ZINC000418733430 500314657 /nfs/dbraw/zinc/31/46/57/500314657.db2.gz KXVFFKUYYSFCKG-BVOGOJNSSA-N 2 0 372.557 3.198 20 0 FGADRP COc1cccc(N2CC[C@H](C[NH2+][C@@H](Cc3ccccc3)[C@@H](C)[NH3+])C2)c1 ZINC000422907339 500314798 /nfs/dbraw/zinc/31/47/98/500314798.db2.gz XAXVPJKMFPAYOS-JUXOCIIHSA-N 2 0 353.510 3.070 20 0 FGADRP Fc1cccc(F)c1CN1CCC[C@H]([NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)C1 ZINC000422909140 500315381 /nfs/dbraw/zinc/31/53/81/500315381.db2.gz NLWWBBZDVITTBW-LVNJIZSUSA-N 2 0 363.496 3.440 20 0 FGADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CCc1nc(-c2ccncc2)cs1 ZINC000422916103 500315939 /nfs/dbraw/zinc/31/59/39/500315939.db2.gz ZYYRREGZHQGRSD-CYBMUJFWSA-N 2 0 353.495 3.261 20 0 FGADRP CC[NH+]1CCN(c2ccccc2N[C@H](C)c2ccc(C[NH3+])nc2C)CC1 ZINC000422920002 500316711 /nfs/dbraw/zinc/31/67/11/500316711.db2.gz LLTZBCUDAYFCJD-QGZVFWFLSA-N 2 0 353.514 3.164 20 0 FGADRP CC[C@H](C[NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1)Oc1cccc(Cl)c1 ZINC000422929168 500318181 /nfs/dbraw/zinc/31/81/81/500318181.db2.gz OMSBSMXEWLOFOF-XGXHKWSGSA-N 2 0 352.906 3.244 20 0 FGADRP COc1cc(C[NH2+]C2CCC(C[NH3+])CC2)cc(Br)c1OC ZINC000422937910 500319677 /nfs/dbraw/zinc/31/96/77/500319677.db2.gz DFEMMKHWHIKROX-UHFFFAOYSA-N 2 0 357.292 3.073 20 0 FGADRP COc1ccc(CC[NH+]2CCC(CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc1 ZINC000426787498 500320679 /nfs/dbraw/zinc/32/06/79/500320679.db2.gz FGLPDSQHJZGPHZ-KDURUIRLSA-N 2 0 360.542 3.449 20 0 FGADRP COc1cccc(CCC[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000422947718 500321716 /nfs/dbraw/zinc/32/17/16/500321716.db2.gz RAZQIJGZDDGXEU-RBBKRZOGSA-N 2 0 352.478 3.473 20 0 FGADRP Brc1ccc(N2CC[C@H](C[NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)cc1 ZINC000422951742 500322424 /nfs/dbraw/zinc/32/24/24/500322424.db2.gz ZZTLKRXQYXQZBE-KTFSGNIMSA-N 2 0 364.331 3.148 20 0 FGADRP CC[NH+]1CCC(C[NH2+][C@H]2CC3(CC[NH+](C)CC3)Oc3ccccc32)CC1 ZINC000576567988 506189394 /nfs/dbraw/zinc/18/93/94/506189394.db2.gz YBIFKEYDFNRYMU-FQEVSTJZSA-N 3 0 357.542 3.296 20 0 FGADRP CC[NH+]1CCN(c2ccc(NC(=O)[C@@H]3CCCCCC[C@H]3[NH3+])c(C)c2)CC1 ZINC000431017510 500324393 /nfs/dbraw/zinc/32/43/93/500324393.db2.gz QNSXLQCUOSDXHN-WOJBJXKFSA-N 2 0 372.557 3.373 20 0 FGADRP C[C@H](NC(=O)C[NH+]1CCC2(CC[NH2+]C2)CC1)c1ccc(Cl)cc1Cl ZINC000431030777 500325773 /nfs/dbraw/zinc/32/57/73/500325773.db2.gz QXRPBDQSIIVIRB-ZDUSSCGKSA-N 2 0 370.324 3.246 20 0 FGADRP COc1cc([C@H](C)[NH2+][C@@H](C)C[C@@H]2CCCCC[NH2+]2)ccc1OCCO ZINC000422974237 500326066 /nfs/dbraw/zinc/32/60/66/500326066.db2.gz QPAYFABOTRGMMI-BQFCYCMXSA-N 2 0 350.503 3.028 20 0 FGADRP COc1ccc([C@H](C[NH2+][C@@H](C)C[C@H]2CCCCC[NH2+]2)N(C)C)cc1OC ZINC000422985486 500326983 /nfs/dbraw/zinc/32/69/83/500326983.db2.gz FAQYCUQZTIEJOE-UHOSZYNNSA-N 2 0 363.546 3.207 20 0 FGADRP Cc1nc(C[NH3+])ccc1[C@H](C)Nc1cccc(C[NH+]2CCC(CO)CC2)c1 ZINC000422984489 500327007 /nfs/dbraw/zinc/32/70/07/500327007.db2.gz XZYXQCVIHFPFOV-INIZCTEOSA-N 2 0 368.525 3.226 20 0 FGADRP [NH3+][C@H]1CCCCCC[C@H]1C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000431068632 500330807 /nfs/dbraw/zinc/33/08/07/500330807.db2.gz ZCFTVGGKZBTVRO-MOPGFXCFSA-N 2 0 363.571 3.374 20 0 FGADRP CCOC(=O)C1([C@@H](C)[NH2+]CC2(c3ccccc3Cl)CC2)CC[NH2+]CC1 ZINC000423025905 500332546 /nfs/dbraw/zinc/33/25/46/500332546.db2.gz PLMJGQDARRIMDV-OAHLLOKOSA-N 2 0 364.917 3.283 20 0 FGADRP C[C@H]([NH2+]CCOc1ccc(Br)cc1C(F)(F)F)C1C[NH2+]C1 ZINC000423033604 500333138 /nfs/dbraw/zinc/33/31/38/500333138.db2.gz ZJKCGCQQWZXEPN-VIFPVBQESA-N 2 0 367.209 3.044 20 0 FGADRP CCOC(=O)C1([C@H](C)[NH2+][C@H]2CC[C@@H](Cc3ccccc3)C2)CC[NH2+]CC1 ZINC000423055502 500336328 /nfs/dbraw/zinc/33/63/28/500336328.db2.gz DCKUPSGTRDHHMB-IHPCNDPISA-N 2 0 358.526 3.309 20 0 FGADRP C[C@H]([NH2+][C@@H]1CC2CCC1CC2)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000431103786 500336606 /nfs/dbraw/zinc/33/66/06/500336606.db2.gz RFFFYAMWTXCOMV-GVHYWEKDSA-N 2 0 369.553 3.324 20 0 FGADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]C[C@H]1CSCCN1Cc1ccccc1 ZINC000423069151 500337983 /nfs/dbraw/zinc/33/79/83/500337983.db2.gz AJFHKAQSVRDIPW-YUXAGFNASA-N 2 0 369.578 3.152 20 0 FGADRP CCOC(=O)C1([C@H](C)[NH2+][C@@H]2CC[C@@H](c3ccc(F)cc3)C2)CC[NH2+]CC1 ZINC000423081043 500340048 /nfs/dbraw/zinc/34/00/48/500340048.db2.gz AWMJLGTWBLGJDA-KVSKMBFKSA-N 2 0 362.489 3.373 20 0 FGADRP C[C@@H]1C[C@@H](CCNC(=O)[C@H]2CCC[N@@H+]2C2CC2)C[NH+]1Cc1ccccc1 ZINC000426980430 500340750 /nfs/dbraw/zinc/34/07/50/500340750.db2.gz AHKNERIMXUDEEC-YFVAEKQCSA-N 2 0 355.526 3.030 20 0 FGADRP CCOC(=O)C1([C@H](C)[NH2+][C@H]2C[C@H](c3ccc(Cl)cc3)C2)CC[NH2+]CC1 ZINC000423098907 500341888 /nfs/dbraw/zinc/34/18/88/500341888.db2.gz SXMSTCMPWPSDHT-ZVZYQTTQSA-N 2 0 364.917 3.497 20 0 FGADRP C[NH+]1CCC(Oc2ccc(CN[C@@H]3C[C@@H]([NH3+])c4ccccc43)cc2)CC1 ZINC000423101495 500342417 /nfs/dbraw/zinc/34/24/17/500342417.db2.gz IYLILIVNMLWSGZ-FGZHOGPDSA-N 2 0 351.494 3.394 20 0 FGADRP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1ccc(I)c(Cl)c1 ZINC000423117654 500344789 /nfs/dbraw/zinc/34/47/89/500344789.db2.gz WKXVGFNWCVSHFX-IUCAKERBSA-N 2 0 352.647 3.160 20 0 FGADRP FC(F)(F)[C@H](C[NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1)Cc1ccccc1 ZINC000423125308 500345685 /nfs/dbraw/zinc/34/56/85/500345685.db2.gz QHYBRJXVZHBBHU-XWTMOSNGSA-N 2 0 356.432 3.154 20 0 FGADRP CCOC(=O)C1([C@H](C)[NH2+][C@@H]2CCc3sc(Cl)cc32)CC[NH2+]CC1 ZINC000423127103 500345818 /nfs/dbraw/zinc/34/58/18/500345818.db2.gz SXXHSZYIYQWDHV-WCQYABFASA-N 2 0 356.919 3.300 20 0 FGADRP CCOC(=O)C1([C@@H](C)[NH2+]C2(Cc3cccc(Cl)c3)CC2)CC[NH2+]CC1 ZINC000423162747 500350147 /nfs/dbraw/zinc/35/01/47/500350147.db2.gz PXAVQTUECOGBHF-OAHLLOKOSA-N 2 0 364.917 3.326 20 0 FGADRP C[C@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[NH2+]CC[C@H](C)[NH3+] ZINC000423225943 500356260 /nfs/dbraw/zinc/35/62/60/500356260.db2.gz OVDWWEJPDIQODW-VHSXEESVSA-N 2 0 351.800 3.403 20 0 FGADRP C[NH2+]CCc1ccccc1C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000423311992 500363447 /nfs/dbraw/zinc/36/34/47/500363447.db2.gz UUYRYXVPMRIFMP-GOSISDBHSA-N 2 0 357.523 3.077 20 0 FGADRP Cc1ccc([C@@H]([NH2+]CCCC[NH3+])c2cccc(S(C)(=O)=O)c2)c(C)c1 ZINC000423340526 500365618 /nfs/dbraw/zinc/36/56/18/500365618.db2.gz XIPDXPPZBFAPNL-FQEVSTJZSA-N 2 0 360.523 3.125 20 0 FGADRP Cc1ccc([C@@H](CNC(=O)C(C)(C)[C@@H]([NH3+])c2ccccc2)[NH+](C)C)cc1 ZINC000423347989 500366384 /nfs/dbraw/zinc/36/63/84/500366384.db2.gz RPLWDZJQJKJKDC-UXHICEINSA-N 2 0 353.510 3.440 20 0 FGADRP Fc1ccc([C@@H]2CC[NH2+]C[C@@H]2N[C@@H]2CC[NH2+][C@H](c3ccccc3)C2)cc1F ZINC000423381835 500368537 /nfs/dbraw/zinc/36/85/37/500368537.db2.gz ZTCLHHMTUYKGPN-KSCDAYEDSA-N 2 0 371.475 3.493 20 0 FGADRP C[C@H](CCc1ccc(I)cc1)[NH2+][C@@H]1CC[NH2+][C@H](C)C1 ZINC000423388083 500369839 /nfs/dbraw/zinc/36/98/39/500369839.db2.gz SXRDBLKNSCKRAF-XJKCOSOUSA-N 2 0 372.294 3.342 20 0 FGADRP COCC1(C[NH2+][C@H](C)c2ccc(OC)c(Br)c2)CC[NH2+]CC1 ZINC000423396851 500370603 /nfs/dbraw/zinc/37/06/03/500370603.db2.gz BLIZUUAFQRLMQC-CYBMUJFWSA-N 2 0 371.319 3.125 20 0 FGADRP COCC1(C[NH2+][C@H](C)c2cc(Cl)c(OC)cc2OC)CC[NH2+]CC1 ZINC000423405381 500371168 /nfs/dbraw/zinc/37/11/68/500371168.db2.gz ZFGUULVFDJGUIC-CYBMUJFWSA-N 2 0 356.894 3.024 20 0 FGADRP Cc1ccc2cc([C@H](C)[NH2+]C[C@H](N3CC[NH2+]CC3)C(F)(F)F)oc2c1 ZINC000423402581 500371184 /nfs/dbraw/zinc/37/11/84/500371184.db2.gz YMFWUORUHKGXPK-GUYCJALGSA-N 2 0 355.404 3.228 20 0 FGADRP COCC1(C[NH2+][C@H](C)c2cc(C)c(Br)s2)CC[NH2+]CC1 ZINC000423412321 500372447 /nfs/dbraw/zinc/37/24/47/500372447.db2.gz WPHGMUVBGMEVGB-GFCCVEGCSA-N 2 0 361.349 3.486 20 0 FGADRP COC[C@@]1(C[NH2+][C@@H](Cc2ccccc2Br)C2CC2)CCC[NH2+]1 ZINC000423418516 500373212 /nfs/dbraw/zinc/37/32/12/500373212.db2.gz USMHSVOHJOIEET-ROUUACIJSA-N 2 0 367.331 3.128 20 0 FGADRP Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@H]2[NH2+][C@H](C)CCCC[NH3+])cc1 ZINC000423437402 500374846 /nfs/dbraw/zinc/37/48/46/500374846.db2.gz QKZWNXLSQPQZCK-BHIYHBOVSA-N 2 0 352.544 3.187 20 0 FGADRP C[C@H]([NH2+][C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)c1ccc(C(F)(F)F)cc1 ZINC000423450728 500375683 /nfs/dbraw/zinc/37/56/83/500375683.db2.gz HOVJDJSOQVPGDV-XZOAIXRZSA-N 2 0 369.431 3.003 20 0 FGADRP C[C@@H]([NH2+][C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)c1cccc(C(F)(F)F)c1 ZINC000423452819 500375920 /nfs/dbraw/zinc/37/59/20/500375920.db2.gz JXZQFFOWWBAOKS-NJAPINKUSA-N 2 0 369.431 3.003 20 0 FGADRP C[C@@H]1C[C@@H](N(C)C(=O)C[C@H]2CCC[NH2+]CC2)CC[N@@H+]1Cc1ccccc1 ZINC000427275563 500377015 /nfs/dbraw/zinc/37/70/15/500377015.db2.gz PQCAYPKHOXGZIW-DYXWJJEUSA-N 2 0 357.542 3.278 20 0 FGADRP CC1CC[NH+](Cc2ccc(CNC(=O)C[C@H]3CCC[NH2+]CC3)cc2)CC1 ZINC000427277739 500377047 /nfs/dbraw/zinc/37/70/47/500377047.db2.gz STTVJYVNFBWFKJ-IBGZPJMESA-N 2 0 357.542 3.315 20 0 FGADRP C[C@H]1C[C@H]([NH2+]C2CCC([NH+]3CCNCC3)CC2)c2ccsc2S1 ZINC000423506432 500379872 /nfs/dbraw/zinc/37/98/72/500379872.db2.gz IZCBDZVYRGKXGX-GIOUXUJVSA-N 2 0 351.585 3.480 20 0 FGADRP C[C@@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)c1ccccc1OC(F)F ZINC000423500965 500379920 /nfs/dbraw/zinc/37/99/20/500379920.db2.gz CHHOVKGRWCHBDG-QQFBHYJXSA-N 2 0 353.457 3.155 20 0 FGADRP C[C@H](CCc1ccc(I)cc1)[NH2+][C@H]1CC[C@H](C[NH3+])C1 ZINC000423501279 500379960 /nfs/dbraw/zinc/37/99/60/500379960.db2.gz JGMBDOQFHIJFAN-INWMFGNUSA-N 2 0 372.294 3.329 20 0 FGADRP CCc1ccccc1[C@@H]([NH3+])CN[C@H](C)CS(=O)(=O)c1ccc(C)cc1 ZINC000423510910 500380374 /nfs/dbraw/zinc/38/03/74/500380374.db2.gz SSMUCVGJMHVXSN-UZLBHIALSA-N 2 0 360.523 3.009 20 0 FGADRP CC1CC[NH+]([C@@H](CNC(=O)C[C@H]2CCC[NH2+]CC2)c2ccccc2)CC1 ZINC000427320372 500381093 /nfs/dbraw/zinc/38/10/93/500381093.db2.gz LEIRTLJOPKRKCF-FPOVZHCZSA-N 2 0 357.542 3.356 20 0 FGADRP C[C@H](CCc1ccc(F)cc1F)[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000423516315 500381415 /nfs/dbraw/zinc/38/14/15/500381415.db2.gz WMSAZUISFXYFPV-VNCLNFNDSA-N 2 0 351.485 3.092 20 0 FGADRP Fc1ccc([C@@H]([NH2+]C2CCC(N3CC[NH2+]CC3)CC2)c2cccnc2)cc1 ZINC000423521237 500381663 /nfs/dbraw/zinc/38/16/63/500381663.db2.gz SHXGCTQZKVWYNI-LZBANZJXSA-N 2 0 368.500 3.116 20 0 FGADRP C[C@H]([NH2+][C@@H]1CC[C@H](C[NH3+])C1)c1ccc(F)c(I)c1 ZINC000423521597 500381884 /nfs/dbraw/zinc/38/18/84/500381884.db2.gz XEKJPTPJGKGIBM-JBLDHEPKSA-N 2 0 362.230 3.208 20 0 FGADRP COc1ccc(C[C@@H](C)[NH2+]CC2([NH3+])C3CC4CC(C3)CC2C4)cc1OC ZINC000423533768 500383555 /nfs/dbraw/zinc/38/35/55/500383555.db2.gz YLXXPXHQKYJACQ-QRZUQEHQSA-N 2 0 358.526 3.378 20 0 FGADRP C[C@H](Cc1ccc(F)cc1Br)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000423564016 500384873 /nfs/dbraw/zinc/38/48/73/500384873.db2.gz XRZCLKYZODUJFE-OEYIWLLWSA-N 2 0 355.295 3.497 20 0 FGADRP C[NH2+]C[C@@H](C)C(=O)N(CCC[NH+](C)C)Cc1ccc(Cl)c(Cl)c1 ZINC000423738998 500398050 /nfs/dbraw/zinc/39/80/50/500398050.db2.gz CNTHQXMIVZDGSL-CYBMUJFWSA-N 2 0 360.329 3.129 20 0 FGADRP C[C@]1([NH3+])CCCC[C@@H]1C(=O)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000423753279 500399459 /nfs/dbraw/zinc/39/94/59/500399459.db2.gz XDGFYTVMEJXUOT-IRLDBZIGSA-N 2 0 357.542 3.061 20 0 FGADRP CC(C)CC[NH+]1CCC(CNC(=O)NC[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC000431622329 500399648 /nfs/dbraw/zinc/39/96/48/500399648.db2.gz FWNAZGNKJCTKOT-FQEVSTJZSA-N 2 0 366.594 3.164 20 0 FGADRP CC(=O)NC1CCC([NH2+]CC[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC000427559393 500405359 /nfs/dbraw/zinc/40/53/59/500405359.db2.gz LZMNKTGQRALMQV-LDIWMBKBSA-N 2 0 357.542 3.324 20 0 FGADRP CC(C)C[NH+]1CCN(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000431671971 500406514 /nfs/dbraw/zinc/40/65/14/500406514.db2.gz WKGBSLXPZAGAFK-TZIWHRDSSA-N 2 0 372.557 3.023 20 0 FGADRP C[NH+](C)[C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1)c1ccc(F)cc1 ZINC000431731666 500416483 /nfs/dbraw/zinc/41/64/83/500416483.db2.gz JIYKHFXOKXJRLK-VQTJNVASSA-N 2 0 361.505 3.342 20 0 FGADRP C[C@@H]1C[C@H](CCNC(=O)[C@H]2CCCC[C@]2(C)[NH3+])C[N@@H+]1Cc1ccccc1 ZINC000423892532 500416583 /nfs/dbraw/zinc/41/65/83/500416583.db2.gz CBGFGNIWOPQCEJ-KHHDVDEJSA-N 2 0 357.542 3.311 20 0 FGADRP C[C@@H]1C[C@H](CCNC(=O)[C@@H]2[NH2+]CCCC2(C)C)C[N@@H+]1Cc1ccccc1 ZINC000423910731 500418618 /nfs/dbraw/zinc/41/86/18/500418618.db2.gz VERFXEGEKXWINU-HOJAQTOUSA-N 2 0 357.542 3.182 20 0 FGADRP C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)N[C@H](C[NH3+])C(C)(C)C)c1 ZINC000423944833 500422294 /nfs/dbraw/zinc/42/22/94/500422294.db2.gz ABUXKKRDAMIYBW-HXUWFJFHSA-N 2 0 353.510 3.422 20 0 FGADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000431773610 500422987 /nfs/dbraw/zinc/42/29/87/500422987.db2.gz WHAQVONWRJFJHU-ICSRJNTNSA-N 2 0 364.578 3.061 20 0 FGADRP C[C@@H]1CCN(C(=O)c2cccc(C[N@H+](C)Cc3ccccc3)c2)C[C@@H]1C[NH3+] ZINC000424003508 500433492 /nfs/dbraw/zinc/43/34/92/500433492.db2.gz RGXPLBMXJTYWKL-GCJKJVERSA-N 2 0 365.521 3.376 20 0 FGADRP O=C(Nc1ccc(F)cc1)[C@H](c1ccccc1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000420300646 500437001 /nfs/dbraw/zinc/43/70/01/500437001.db2.gz CWMJERMLTNTFIW-FPOVZHCZSA-N 2 0 353.441 3.191 20 0 FGADRP CC1(C)CCC[C@@H](C(=O)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)C1 ZINC000424016115 500437061 /nfs/dbraw/zinc/43/70/61/500437061.db2.gz BLEXKZGMPOJKPY-LJQANCHMSA-N 2 0 357.542 3.313 20 0 FGADRP CC(C)[N@H+](CC[C@@H]1CC[NH2+]C1)C[C@H](O)COc1cccc2ccccc21 ZINC000420303009 500437520 /nfs/dbraw/zinc/43/75/20/500437520.db2.gz KFRUBGFJNUJXOI-ICSRJNTNSA-N 2 0 356.510 3.290 20 0 FGADRP C[C@H](C(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1)c1ccccc1F ZINC000424022840 500438317 /nfs/dbraw/zinc/43/83/17/500438317.db2.gz VBSLHKCRKGJCDO-KRWDZBQOSA-N 2 0 369.484 3.039 20 0 FGADRP C[C@@H]([NH3+])[C@H]1CC[N@H+](Cc2ccnc(-c3ccc(Br)cc3)n2)C1 ZINC000420306458 500438630 /nfs/dbraw/zinc/43/86/30/500438630.db2.gz LBBTYRGJEJVCNS-OCCSQVGLSA-N 2 0 361.287 3.075 20 0 FGADRP O=C(C1CC[NH+](CC[C@H]2CCC[NH2+]C2)CC1)N(Cc1ccccc1)C1CC1 ZINC000420311973 500438979 /nfs/dbraw/zinc/43/89/79/500438979.db2.gz WOFUXZWOMSZMRP-LJQANCHMSA-N 2 0 369.553 3.279 20 0 FGADRP COc1ccc([C@H](C[NH3+])CN2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)cc1 ZINC000420316691 500440055 /nfs/dbraw/zinc/44/00/55/500440055.db2.gz MDZLZQYCXBWXJX-SFHLNBCPSA-N 2 0 359.558 3.324 20 0 FGADRP O=C(NCCC[N@@H+]1CCc2ccccc2C1)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC000431897111 500440174 /nfs/dbraw/zinc/44/01/74/500440174.db2.gz XSELLXKETKBBRT-QFIPXVFZSA-N 2 0 369.553 3.348 20 0 FGADRP C[C@H](CC(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000424039591 500441232 /nfs/dbraw/zinc/44/12/32/500441232.db2.gz ONUHVXOWGPNBHW-LJQANCHMSA-N 2 0 365.521 3.290 20 0 FGADRP CCC[N@H+](CC[C@H]1CCC[NH2+]C1)CC(=O)Nc1ccc(F)c(F)c1F ZINC000420326867 500441612 /nfs/dbraw/zinc/44/16/12/500441612.db2.gz YACXFIPYBYGMDG-CYBMUJFWSA-N 2 0 357.420 3.144 20 0 FGADRP CCN(C(=O)C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1)[C@H](C)c1ccc(F)cc1 ZINC000420333541 500443561 /nfs/dbraw/zinc/44/35/61/500443561.db2.gz HREKUMISZKMUSN-UZLBHIALSA-N 2 0 361.505 3.199 20 0 FGADRP c1ccc(-n2nc(C[N@@H+]3CCC[C@H]([C@H]4CC[NH2+]C4)C3)c3c2CCC3)cc1 ZINC000420335977 500443807 /nfs/dbraw/zinc/44/38/07/500443807.db2.gz VHSSSAYPZGWFNZ-ROUUACIJSA-N 2 0 350.510 3.183 20 0 FGADRP CCc1cccc(CC)c1NC(=O)[C@H](C)[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420337874 500444282 /nfs/dbraw/zinc/44/42/82/500444282.db2.gz KFOCBANVGPWZKX-FFZOFVMBSA-N 2 0 357.542 3.460 20 0 FGADRP O=C(C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1)N[C@H](c1ccccc1)C1CCCC1 ZINC000420341853 500444481 /nfs/dbraw/zinc/44/44/81/500444481.db2.gz WHPXBBZUWNWGMV-JTHBVZDNSA-N 2 0 369.553 3.498 20 0 FGADRP Cc1ccc(F)c(N2CCC[C@H]([NH+]3CCC([C@H]4CCC[NH2+]4)CC3)C2=O)c1 ZINC000420343004 500444933 /nfs/dbraw/zinc/44/49/33/500444933.db2.gz YAIIVZGJQXXWES-MOPGFXCFSA-N 2 0 359.489 3.094 20 0 FGADRP C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420344763 500445726 /nfs/dbraw/zinc/44/57/26/500445726.db2.gz USAWKPGUGGITET-RWMBFGLXSA-N 2 0 356.297 3.252 20 0 FGADRP CCCOc1ccc(OCC[NH+]2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)cc1 ZINC000420374510 500450118 /nfs/dbraw/zinc/45/01/18/500450118.db2.gz HKHMAGINFYBWAD-SFTDATJTSA-N 2 0 362.514 3.073 20 0 FGADRP CSc1ccc(OCC[NH+]2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)cc1 ZINC000420377474 500451266 /nfs/dbraw/zinc/45/12/66/500451266.db2.gz LCDMIRJCFYMSEI-RBUKOAKNSA-N 2 0 350.528 3.006 20 0 FGADRP [NH3+]C1(CNC(=O)c2sccc2C2CC2)CC[NH+](Cc2ccccc2)CC1 ZINC000570562606 506196465 /nfs/dbraw/zinc/19/64/65/506196465.db2.gz DZPYEXPCSKAEHV-UHFFFAOYSA-N 2 0 369.534 3.349 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC000573446637 506196586 /nfs/dbraw/zinc/19/65/86/506196586.db2.gz LWPBBWBCWFCKOZ-COPCDDAFSA-N 2 0 369.553 3.420 20 0 FGADRP CC(C)n1cncc1C[NH2+]Cc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000424158226 500462107 /nfs/dbraw/zinc/46/21/07/500462107.db2.gz QXSPIHSQWLTDLD-QZTJIDSGSA-N 2 0 356.514 3.363 20 0 FGADRP CN(C[C@@H](C[NH3+])c1ccc(F)cc1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000424307109 500484615 /nfs/dbraw/zinc/48/46/15/500484615.db2.gz WVSPZFDHBFCKFN-TZIWHRDSSA-N 2 0 355.501 3.322 20 0 FGADRP CN1CC[C@H](C[NH2+][C@@H]2CCCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CC1=O ZINC000424316252 500486048 /nfs/dbraw/zinc/48/60/48/500486048.db2.gz CVTIZESOBATEDG-MYGLTJDJSA-N 2 0 369.553 3.135 20 0 FGADRP CO[C@H]1C[C@H]2C[C@H]([NH2+]Cc3ccc(OCC[NH+]4CCCC4)cc3)C[C@H]2C1 ZINC000424323001 500486329 /nfs/dbraw/zinc/48/63/29/500486329.db2.gz VRVCYGRKOKUKTD-DLRWMDTOSA-N 2 0 358.526 3.454 20 0 FGADRP C[NH+](C)C1CCN(CC[NH2+][C@H](Cc2ccncc2)c2cccs2)CC1 ZINC000424327317 500486971 /nfs/dbraw/zinc/48/69/71/500486971.db2.gz YXTDWQCYGCUGJU-LJQANCHMSA-N 2 0 358.555 3.043 20 0 FGADRP C[C@H]1CC2(C[N@@H+]1Cc1cc(Br)cc3c1OCC3)CC[NH2+]CC2 ZINC000424386493 500494797 /nfs/dbraw/zinc/49/47/97/500494797.db2.gz XFEIOSHMWGOVLV-ZDUSSCGKSA-N 2 0 365.315 3.348 20 0 FGADRP C[C@@H]1C[N@H+](CCCNCC(C)(C)C[NH+](C)Cc2ccccc2)CCCO1 ZINC000432353481 500503838 /nfs/dbraw/zinc/50/38/38/500503838.db2.gz MELAOFXNUCLJBK-HXUWFJFHSA-N 2 0 361.574 3.235 20 0 FGADRP C[C@@H]1C[N@H+](CCCNCc2csc(-c3cccs3)n2)CCCO1 ZINC000432363067 500504879 /nfs/dbraw/zinc/50/48/79/500504879.db2.gz RXWHEWQZHWUWHV-CQSZACIVSA-N 2 0 351.541 3.462 20 0 FGADRP CC1CC[NH+](Cc2cccc(CNC(=O)N(C)C[C@H]3CCC[N@@H+]3C)c2)CC1 ZINC000420811009 500507357 /nfs/dbraw/zinc/50/73/57/500507357.db2.gz YZSHBKFMJTWDOZ-OAQYLSRUSA-N 2 0 372.557 3.154 20 0 FGADRP CC[NH+](CC)[C@H](C(=O)N[C@H]1CC[NH2+]C[C@@H]1C)c1cccc(C(F)(F)F)c1 ZINC000432521626 500526634 /nfs/dbraw/zinc/52/66/34/500526634.db2.gz ZCJGENYQPLCINZ-JQFCIGGWSA-N 2 0 371.447 3.203 20 0 FGADRP C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)NC[C@H]2CCC[NH2+]C2)c1 ZINC000428597131 500531460 /nfs/dbraw/zinc/53/14/60/500531460.db2.gz QDNBAMCRVOAOPF-FQEVSTJZSA-N 2 0 351.494 3.048 20 0 FGADRP CC[NH+]1CCC(N2CCC[N@H+](CCOc3cc(C)ccc3C)CC2)CC1 ZINC000420976378 500545182 /nfs/dbraw/zinc/54/51/82/500545182.db2.gz GXMXPWWQIYRPHW-UHFFFAOYSA-N 2 0 359.558 3.174 20 0 FGADRP O=C(NC[C@H]1CCC[N@H+](CCC23CC4CC(CC(C4)C2)C3)C1)[C@H]1CCC[NH2+]1 ZINC000582400595 506202240 /nfs/dbraw/zinc/20/22/40/506202240.db2.gz OHDSWCKYGRSFPL-SPTIWXGTSA-N 2 0 373.585 3.173 20 0 FGADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000428856227 500566213 /nfs/dbraw/zinc/56/62/13/500566213.db2.gz LPLNOLGAELSFEA-SESVDKBCSA-N 2 0 372.557 3.213 20 0 FGADRP [NH3+]C1CC[NH+](CCCC(=O)Nc2ccccc2N2CCCCCC2)CC1 ZINC000433122133 500630559 /nfs/dbraw/zinc/63/05/59/500630559.db2.gz URHAMAKYNVIWMP-UHFFFAOYSA-N 2 0 358.530 3.209 20 0 FGADRP C[C@H](NC(=O)CCC[NH+]1CCC([NH3+])CC1)c1ccc(-c2cccnc2)cc1 ZINC000433137859 500633865 /nfs/dbraw/zinc/63/38/65/500633865.db2.gz VIFUGXKKCXMKLZ-KRWDZBQOSA-N 2 0 366.509 3.129 20 0 FGADRP CC[C@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)c1ccccc1OC(F)F ZINC000442877385 500638406 /nfs/dbraw/zinc/63/84/06/500638406.db2.gz TZYQAFOBFZNWHC-INIZCTEOSA-N 2 0 355.473 3.355 20 0 FGADRP C[N@@H+]1CCN(CC[NH2+][C@@H]2CCCOc3cc4c(cc32)CCC4)CC1(C)C ZINC000442878798 500638810 /nfs/dbraw/zinc/63/88/10/500638810.db2.gz UTUQGCYGYMTLQF-HXUWFJFHSA-N 2 0 357.542 3.005 20 0 FGADRP C[C@@H]1CCCN(C(=O)C[N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)C1 ZINC000433185682 500641978 /nfs/dbraw/zinc/64/19/78/500641978.db2.gz BCGBPFUWLQPNJL-HXUWFJFHSA-N 2 0 369.553 3.233 20 0 FGADRP C[C@H](NC(=O)C[N@@H+]1CCC[C@@H](CC[NH3+])C1)c1ccc(Cl)cc1Cl ZINC000443072494 500674642 /nfs/dbraw/zinc/67/46/42/500674642.db2.gz NOBGTMINJIRYQL-STQMWFEESA-N 2 0 358.313 3.231 20 0 FGADRP C[NH+](C)[C@@H](CC(=O)NC1CC[NH+](CC2CCCC2)CC1)c1ccccc1 ZINC000433365201 500682327 /nfs/dbraw/zinc/68/23/27/500682327.db2.gz LTQMOJFOIJOHPL-NRFANRHFSA-N 2 0 357.542 3.450 20 0 FGADRP O=C(NC[C@@H]1CCC[N@@H+]1C1CCCCC1)NC[C@@H]1CCCC[NH+]1C1CC1 ZINC000437864112 500709155 /nfs/dbraw/zinc/70/91/55/500709155.db2.gz IGGOZGWSUVTAQR-PMACEKPBSA-N 2 0 362.562 3.100 20 0 FGADRP C[NH2+]CCc1ccccc1C(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000448551043 500770812 /nfs/dbraw/zinc/77/08/12/500770812.db2.gz CJIUBTMZINACJD-UHFFFAOYSA-N 2 0 357.542 3.367 20 0 FGADRP CC[C@@H](C[NH+]1CCC(C(=O)NCCC[NH+]2CCCC2)CC1)c1ccccc1 ZINC000570727459 506215460 /nfs/dbraw/zinc/21/54/60/506215460.db2.gz DSQKKAJUTWEQAN-FQEVSTJZSA-N 2 0 371.569 3.494 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)c1ccccc1CC[NH2+]C)c1ccccc1 ZINC000448551363 500771297 /nfs/dbraw/zinc/77/12/97/500771297.db2.gz LBZPOYAZXCZHQX-NRFANRHFSA-N 2 0 353.510 3.261 20 0 FGADRP C[C@H](C[NH2+]Cc1ccc(Oc2cccc(F)c2)cc1)N1CC[NH+](C)CC1 ZINC000443978951 500786008 /nfs/dbraw/zinc/78/60/08/500786008.db2.gz JJICHRGKHPKYQK-QGZVFWFLSA-N 2 0 357.473 3.344 20 0 FGADRP C[NH+]1CCN(CCC[NH2+]Cc2ccc(Oc3cccc(F)c3)cc2)CC1 ZINC000443981547 500786516 /nfs/dbraw/zinc/78/65/16/500786516.db2.gz PAWSCMKAKANTNQ-UHFFFAOYSA-N 2 0 357.473 3.345 20 0 FGADRP C[C@@H](C(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000607664871 506219535 /nfs/dbraw/zinc/21/95/35/506219535.db2.gz LJPKKGIINCOKLR-XQBPLPMBSA-N 2 0 371.569 3.271 20 0 FGADRP CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000439141271 500862977 /nfs/dbraw/zinc/86/29/77/500862977.db2.gz MZKBKACGZSHWAY-SJORKVTESA-N 2 0 366.575 3.161 20 0 FGADRP CN1CCC([NH+]2CCC(CC[N@H+](C)Cc3cc4cccnc4o3)CC2)CC1 ZINC000449037839 500908238 /nfs/dbraw/zinc/90/82/38/500908238.db2.gz POJSKLAUPYASGT-UHFFFAOYSA-N 2 0 370.541 3.456 20 0 FGADRP CC1(C)CCC[N@H+](CCNC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000444872965 500914822 /nfs/dbraw/zinc/91/48/22/500914822.db2.gz HSLZDQSEPMXNLB-UHFFFAOYSA-N 2 0 372.557 3.204 20 0 FGADRP CC[NH+](CC)CCOc1ccc(C[NH2+][C@@H]2CSC[C@H]2C)cc1OC ZINC000449086602 500921716 /nfs/dbraw/zinc/92/17/16/500921716.db2.gz CXRACASONCGIRH-NVXWUHKLSA-N 2 0 352.544 3.257 20 0 FGADRP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc(I)cc2)C1 ZINC000449103812 500925390 /nfs/dbraw/zinc/92/53/90/500925390.db2.gz CFCGFJNFHZHKOY-AWEZNQCLSA-N 2 0 358.267 3.113 20 0 FGADRP C[NH+]1CCN(c2ncccc2C[NH2+]C2CCC(OC3CCCC3)CC2)CC1 ZINC000449109356 500927597 /nfs/dbraw/zinc/92/75/97/500927597.db2.gz YKCDCEMMKAFWDE-UHFFFAOYSA-N 2 0 372.557 3.193 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1cc2[nH]ccc2cc1C ZINC000444977752 500928710 /nfs/dbraw/zinc/92/87/10/500928710.db2.gz UFFNAEPMIKOUCZ-SFHVURJKSA-N 2 0 371.529 3.356 20 0 FGADRP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]C[C@H](O)Cc2ccccc2)CC1 ZINC000449125347 500930778 /nfs/dbraw/zinc/93/07/78/500930778.db2.gz JCDAJGFBZGILMM-WMZHIEFXSA-N 2 0 352.522 3.275 20 0 FGADRP C[C@H]([NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1)[C@H](C)N1CCOCC1 ZINC000449132780 500931977 /nfs/dbraw/zinc/93/19/77/500931977.db2.gz BKSSSBIZJJUMQP-ROUUACIJSA-N 2 0 353.595 3.364 20 0 FGADRP C[C@@H]1C[C@H]([NH2+]Cc2cc(C(F)(F)F)ccc2N2CC[NH+](C)CC2)[C@@H](C)O1 ZINC000449155097 500936786 /nfs/dbraw/zinc/93/67/86/500936786.db2.gz OYUMRQRWHBNJAQ-CPUCHLNUSA-N 2 0 371.447 3.113 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)N(C)[C@@H]1CCC[NH+](C)C1 ZINC000607686995 506225331 /nfs/dbraw/zinc/22/53/31/506225331.db2.gz PPZPKNTXTLLKAF-RTBURBONSA-N 2 0 373.541 3.106 20 0 FGADRP CCn1nnc(C)c1C[NH2+]CC1(CC)CC[NH+](Cc2ccccc2)CC1 ZINC000449211606 500949298 /nfs/dbraw/zinc/94/92/98/500949298.db2.gz HYGFPUXCYGWMFD-UHFFFAOYSA-N 2 0 355.530 3.388 20 0 FGADRP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]CCc2cn3c(n2)SCC3)CC1 ZINC000449254633 500959002 /nfs/dbraw/zinc/95/90/02/500959002.db2.gz ZLEIIECKKIUQAF-QGZVFWFLSA-N 2 0 370.566 3.217 20 0 FGADRP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3cnn(Cc4ccc(C(F)(F)F)cc4)c3)C[C@H]12 ZINC000435388597 500965889 /nfs/dbraw/zinc/96/58/89/500965889.db2.gz HLVRJUMSJFQMPY-BPQIPLTHSA-N 2 0 364.415 3.119 20 0 FGADRP C[N@@H+]1CCN(CC[NH2+]Cc2cnc(-c3ccccc3F)s2)CC1(C)C ZINC000449300769 500971039 /nfs/dbraw/zinc/97/10/39/500971039.db2.gz FSLGDPFDVYEPQO-UHFFFAOYSA-N 2 0 362.518 3.065 20 0 FGADRP Cn1ccnc1CN(Cc1cc2cc(F)ccc2o1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435426536 500972629 /nfs/dbraw/zinc/97/26/29/500972629.db2.gz IMFIZANCZGIXCH-LJQANCHMSA-N 2 0 368.456 3.450 20 0 FGADRP COc1ccc(C[N@H+](C)[C@H]2CCC[NH2+]CC2)cc1OCc1cccnc1 ZINC000435438952 500977522 /nfs/dbraw/zinc/97/75/22/500977522.db2.gz RWJHIUFVYKBLQW-IBGZPJMESA-N 2 0 355.482 3.243 20 0 FGADRP CCn1ccnc1C[N@H+](CCc1ccc(C)cc1)[C@H]1CC12CC[NH2+]CC2 ZINC000435698294 501014154 /nfs/dbraw/zinc/01/41/54/501014154.db2.gz WETBGWDPDVYCCM-FQEVSTJZSA-N 2 0 352.526 3.398 20 0 FGADRP CCCOc1c(OC)cc(CC[NH2+][C@H]2CC[N@H+](CC)C[C@H]2C)cc1OC ZINC000449487084 501014968 /nfs/dbraw/zinc/01/49/68/501014968.db2.gz WPQWAZMKNOVSDM-AEFFLSMTSA-N 2 0 364.530 3.355 20 0 FGADRP OC[C@@H]([C@H]([NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)C1CC1)C1CC1 ZINC000449501462 501019637 /nfs/dbraw/zinc/01/96/37/501019637.db2.gz FNACVFZFPKGJGO-LHGONGGSSA-N 2 0 354.538 3.284 20 0 FGADRP [NH3+]Cc1cc(NC(=O)[C@@]2(c3ccccc3)CC[NH2+]C2)cc(C(F)(F)F)c1 ZINC000449506391 501020660 /nfs/dbraw/zinc/02/06/60/501020660.db2.gz SFRSKOAPOOXBLW-SFHVURJKSA-N 2 0 363.383 3.034 20 0 FGADRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2ccc(C)cc2Br)CC1 ZINC000449746053 501073491 /nfs/dbraw/zinc/07/34/91/501073491.db2.gz QBFNLPJCWRSDKA-UHFFFAOYSA-N 2 0 368.363 3.263 20 0 FGADRP Cc1ccc(Br)cc1C[N@@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000450366567 501101673 /nfs/dbraw/zinc/10/16/73/501101673.db2.gz UBCQOVOFUHIWQZ-HNNXBMFYSA-N 2 0 369.347 3.282 20 0 FGADRP Cc1ccc(Br)cc1C[N@@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000450366573 501101824 /nfs/dbraw/zinc/10/18/24/501101824.db2.gz UBCQOVOFUHIWQZ-OAHLLOKOSA-N 2 0 369.347 3.282 20 0 FGADRP C[NH+](C)CCc1ccccc1NC(=O)N(CC[NH+](C)C)Cc1ccccc1 ZINC000446576447 501136547 /nfs/dbraw/zinc/13/65/47/501136547.db2.gz GMZNVCPUMCSRQB-UHFFFAOYSA-N 2 0 368.525 3.386 20 0 FGADRP COc1ccc([C@H](CCn2cncn2)[NH2+]C2CC[NH+](CC(C)C)CC2)cc1 ZINC000446749752 501161095 /nfs/dbraw/zinc/16/10/95/501161095.db2.gz BZNMTYYWNSZRAZ-NRFANRHFSA-N 2 0 371.529 3.128 20 0 FGADRP Fc1ccc(-n2cc(C[NH2+]CC3CC[NH+](C4CC4)CC3)nn2)c(Cl)c1 ZINC000446890034 501177527 /nfs/dbraw/zinc/17/75/27/501177527.db2.gz FVIIUEORAUTGRS-UHFFFAOYSA-N 2 0 363.868 3.024 20 0 FGADRP C[NH+](C)Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)cc1 ZINC000451083049 501244193 /nfs/dbraw/zinc/24/41/93/501244193.db2.gz HGAHRMNYPFYHLO-FQEVSTJZSA-N 2 0 373.522 3.098 20 0 FGADRP C[C@@H]([NH2+]CC1CC[NH+](CCO)CC1)c1ccc(Oc2ccccc2)cn1 ZINC000453106640 501270534 /nfs/dbraw/zinc/27/05/34/501270534.db2.gz YZAGJZVBCDANBV-QGZVFWFLSA-N 2 0 355.482 3.229 20 0 FGADRP C[C@H](CCN1CCOCC1)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000453148029 501279466 /nfs/dbraw/zinc/27/94/66/501279466.db2.gz QKLCQPUIWVCPOX-ADHNFCLRSA-N 2 0 371.569 3.130 20 0 FGADRP O=C(NCCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@H]21)C1CCC1 ZINC000453153714 501280179 /nfs/dbraw/zinc/28/01/79/501280179.db2.gz RAFZBPABDQEPOL-BDTNDASRSA-N 2 0 369.553 3.326 20 0 FGADRP C[NH+](C)CCCC(C)(C)NC(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000457736710 501298025 /nfs/dbraw/zinc/29/80/25/501298025.db2.gz GTWZMSFGUFZBKI-IBGZPJMESA-N 2 0 360.546 3.243 20 0 FGADRP C[NH+](C)CCCC(C)(C)NC(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000457736714 501298244 /nfs/dbraw/zinc/29/82/44/501298244.db2.gz GTWZMSFGUFZBKI-LJQANCHMSA-N 2 0 360.546 3.243 20 0 FGADRP COCC1(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)CCOCC1 ZINC000453249683 501299323 /nfs/dbraw/zinc/29/93/23/501299323.db2.gz YNPHTFPERTYCLA-BHDDXSALSA-N 2 0 372.553 3.462 20 0 FGADRP COCC1(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)CCOCC1 ZINC000453249682 501299481 /nfs/dbraw/zinc/29/94/81/501299481.db2.gz YNPHTFPERTYCLA-BDTNDASRSA-N 2 0 372.553 3.462 20 0 FGADRP C[C@@H]([NH2+]C[C@@H]1CCCCN1CCO)c1ccc(Br)cc1F ZINC000453278848 501307014 /nfs/dbraw/zinc/30/70/14/501307014.db2.gz ZLACRVZZZJRCOF-OCCSQVGLSA-N 2 0 359.283 3.086 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)Cc2cc(F)cc(OC)c2)[C@H](C)C1 ZINC000453414390 501326871 /nfs/dbraw/zinc/32/68/71/501326871.db2.gz YSIZBFRXURTXOM-WWMYMODYSA-N 2 0 366.521 3.492 20 0 FGADRP CC(C)CC[NH+]1CCC(CNC(=O)NC2CC[NH+](C3CCC3)CC2)CC1 ZINC000455564129 501334993 /nfs/dbraw/zinc/33/49/93/501334993.db2.gz PQRZVOVBAFUUCN-UHFFFAOYSA-N 2 0 364.578 3.061 20 0 FGADRP C[NH+](C)CCCC(C)(C)NC(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000457977998 501348933 /nfs/dbraw/zinc/34/89/33/501348933.db2.gz JOTFRSUBPZDHMN-UHFFFAOYSA-N 2 0 374.573 3.318 20 0 FGADRP Cc1n[nH]cc1CN1CCC([NH+]2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC000453572965 501350815 /nfs/dbraw/zinc/35/08/15/501350815.db2.gz IULVPOMUYAOZEV-UHFFFAOYSA-N 2 0 373.932 3.158 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N1CC[NH+](CC(C)C)CC1)c1ccccc1 ZINC000611673227 506250896 /nfs/dbraw/zinc/25/08/96/506250896.db2.gz GWFQESXZTOGBMY-HXUWFJFHSA-N 2 0 360.546 3.053 20 0 FGADRP C[NH+](C)[C@H]1CCc2cc(NC(=O)N3CCC[C@H]([NH+]4CCCC4)C3)ccc21 ZINC000455904288 501411333 /nfs/dbraw/zinc/41/13/33/501411333.db2.gz HDTSFANWSBPWAN-ICSRJNTNSA-N 2 0 356.514 3.328 20 0 FGADRP C[NH+](C)[C@@H]1CCc2cc(NC(=O)NCC[N@@H+](C)Cc3ccccc3)ccc21 ZINC000455910850 501413246 /nfs/dbraw/zinc/41/32/46/501413246.db2.gz IWXVJNPMGIFUGM-OAQYLSRUSA-N 2 0 366.509 3.489 20 0 FGADRP C[C@@H](CNC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C)[N@@H+]1CCC[C@@H](C)C1 ZINC000455912457 501413869 /nfs/dbraw/zinc/41/38/69/501413869.db2.gz JOIYXPMSQZHHCK-GUXCAODWSA-N 2 0 358.530 3.477 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NC(C)(C)CCC[NH+](C)C ZINC000458519909 501464915 /nfs/dbraw/zinc/46/49/15/501464915.db2.gz WLBGTSFPDZBWPX-QUCCMNQESA-N 2 0 374.573 3.317 20 0 FGADRP CC(C)[NH+]1CCC(C(=O)N2CC[N@H+](Cc3ccccc3)C[C@H](C)C2)CC1 ZINC000456300335 501492105 /nfs/dbraw/zinc/49/21/05/501492105.db2.gz GUIQCICXVXCTGO-IBGZPJMESA-N 2 0 357.542 3.087 20 0 FGADRP C[C@@H](C[NH+]1CCCCCC1)NC(=O)N(CC[NH+](C)C)Cc1ccsc1 ZINC000458649119 501498034 /nfs/dbraw/zinc/49/80/34/501498034.db2.gz HCBGWQCNLZZLFY-KRWDZBQOSA-N 2 0 366.575 3.086 20 0 FGADRP Cc1ccccc1[C@@H]([C@@H](C)NC(=O)NC(C)(C)CCC[NH+](C)C)[NH+](C)C ZINC000458760781 501525197 /nfs/dbraw/zinc/52/51/97/501525197.db2.gz HAWKPDAQXCXGGJ-IEBWSBKVSA-N 2 0 362.562 3.406 20 0 FGADRP C[C@H]1C[C@H](NC(=O)NCCCC[NH+](C)C2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000454593430 501586726 /nfs/dbraw/zinc/58/67/26/501586726.db2.gz LMGMDURAWLTIFU-AZUAARDMSA-N 2 0 372.557 3.213 20 0 FGADRP C[C@@H]1C[C@H](NC(=O)NC[C@@H](C2CC2)[N@H+](C)Cc2ccccc2)c2nccn21 ZINC000454824986 501637928 /nfs/dbraw/zinc/63/79/28/501637928.db2.gz SLLKGQOSZDLZPK-MNEFBYGVSA-N 2 0 367.497 3.099 20 0 FGADRP C[C@H]1C[NH+](CCCC[NH2+]Cc2cccc(O)c2Br)C[C@H](C)O1 ZINC000459385526 501643772 /nfs/dbraw/zinc/64/37/72/501643772.db2.gz JNPHWPBTXJIRIP-KBPBESRZSA-N 2 0 371.319 3.134 20 0 FGADRP COc1ccc(-c2ccccc2C)cc1C[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000459443122 501655101 /nfs/dbraw/zinc/65/51/01/501655101.db2.gz XQMLCDBIHNIJPL-UHFFFAOYSA-N 2 0 354.494 3.217 20 0 FGADRP C[NH+](C)CCN(Cc1ccsc1)C(=O)NCC1([NH+](C)C)CCCCC1 ZINC000457429306 501696277 /nfs/dbraw/zinc/69/62/77/501696277.db2.gz FNSKLLOIWRGWHK-UHFFFAOYSA-N 2 0 366.575 3.086 20 0 FGADRP COc1cc(Br)c(C[NH2+]CC[C@H]2CCC[N@H+](C)C2)c(OC)c1 ZINC000459723932 501704134 /nfs/dbraw/zinc/70/41/34/501704134.db2.gz DJJCUDZBBGFGEK-CYBMUJFWSA-N 2 0 371.319 3.288 20 0 FGADRP COc1ccc([C@H](CO)C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000459727443 501704832 /nfs/dbraw/zinc/70/48/32/501704832.db2.gz FEVABRGWANHNEV-NRFANRHFSA-N 2 0 368.521 3.068 20 0 FGADRP COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000459729699 501705205 /nfs/dbraw/zinc/70/52/05/501705205.db2.gz DKSWALJXUABSSG-GJZGRUSLSA-N 2 0 367.921 3.387 20 0 FGADRP COc1cc(C[NH2+]CC[C@H]2CCC[N@H+](C)C2)cc(OC)c1OCC(F)F ZINC000459784021 501713731 /nfs/dbraw/zinc/71/37/31/501713731.db2.gz NWIRFBAWOUQPRV-CQSZACIVSA-N 2 0 372.456 3.169 20 0 FGADRP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(I)c(C)c2)[C@@H](C)C1 ZINC000467373659 501780100 /nfs/dbraw/zinc/78/01/00/501780100.db2.gz OOSIDGJZQXEOPN-BBRMVZONSA-N 2 0 372.294 3.420 20 0 FGADRP CC(C)[NH+]1CCC(O)(C[NH2+][C@H](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000467388579 501784086 /nfs/dbraw/zinc/78/40/86/501784086.db2.gz MDEPSXZPVZDGGA-OAHLLOKOSA-N 2 0 358.448 3.461 20 0 FGADRP O=C(NCCC[NH+]1CCCCCC1)[C@@H]1CCCN1Cc1ccc(F)cc1 ZINC000474316797 501787607 /nfs/dbraw/zinc/78/76/07/501787607.db2.gz AWFFPCXXVFOWAG-FQEVSTJZSA-N 2 0 361.505 3.172 20 0 FGADRP COc1ccc(Cn2nc(C)c(C[NH2+]C[C@@H]3CC[N@@H+](C4CC4)C3)c2C)cc1 ZINC000463741549 501808826 /nfs/dbraw/zinc/80/88/26/501808826.db2.gz LTJSCOCWZIDZRS-IBGZPJMESA-N 2 0 368.525 3.131 20 0 FGADRP CC(C)C[NH+]1CCC(NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)CC1 ZINC000477903545 501824622 /nfs/dbraw/zinc/82/46/22/501824622.db2.gz CWTNMKFHTOGSMJ-GHTZIAJQSA-N 2 0 372.557 3.069 20 0 FGADRP CC(C)C[NH+]1CCC(NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)CC1 ZINC000477903546 501824850 /nfs/dbraw/zinc/82/48/50/501824850.db2.gz CWTNMKFHTOGSMJ-NQIIRXRSSA-N 2 0 372.557 3.069 20 0 FGADRP C[C@H](Cc1ccccc1C(F)(F)F)[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000481666882 501843665 /nfs/dbraw/zinc/84/36/65/501843665.db2.gz HNBNIVYZAWHMCW-OAHLLOKOSA-N 2 0 357.464 3.252 20 0 FGADRP CC[C@@]1(C(=O)N2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)CCC[NH2+]1 ZINC000467697352 501846691 /nfs/dbraw/zinc/84/66/91/501846691.db2.gz XVXWYYVQZBMPTN-VXKWHMMOSA-N 2 0 355.526 3.033 20 0 FGADRP C[C@H]1C[C@H](C)C[NH+](CCC[NH2+]Cc2ccc(Cl)cc2-n2cncn2)C1 ZINC000474478386 501849277 /nfs/dbraw/zinc/84/92/77/501849277.db2.gz PCDJPFQXJANKJK-HOTGVXAUSA-N 2 0 361.921 3.378 20 0 FGADRP CC[N@@H+]1CC[C@H]([NH+](C)CCC(=O)Nc2ccc(OC)c(Cl)c2)C[C@H]1C ZINC000485671594 501896183 /nfs/dbraw/zinc/89/61/83/501896183.db2.gz JBQPONCWVPFCHU-ZBFHGGJFSA-N 2 0 367.921 3.482 20 0 FGADRP CCC(CC)[C@H](CNC(=O)N1C[C@@H]([NH+]2CCCC2)C[C@@H]1C)[NH+]1CCCC1 ZINC000478206249 501909498 /nfs/dbraw/zinc/90/94/98/501909498.db2.gz MJFBZACWLSWKSX-IHPCNDPISA-N 2 0 364.578 3.155 20 0 FGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@H](C)Cc2ccccc2C(F)(F)F)CC1 ZINC000481920528 501919286 /nfs/dbraw/zinc/91/92/86/501919286.db2.gz JJEHRSOKSKRNMN-DLBZAZTESA-N 2 0 371.491 3.500 20 0 FGADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)N(CC[NH+](C)C)C2CCCC2)C1 ZINC000468048125 501940712 /nfs/dbraw/zinc/94/07/12/501940712.db2.gz DYGIRSFIZLIXTO-AZUAARDMSA-N 2 0 372.557 3.338 20 0 FGADRP O=C(N[C@H]1CC[N@H+](CC2CCCC2)C1)[C@@H]1CCC[NH+]1Cc1ccccc1 ZINC000464327710 501956000 /nfs/dbraw/zinc/95/60/00/501956000.db2.gz FJLWVSDBGJMJJI-SFTDATJTSA-N 2 0 355.526 3.032 20 0 FGADRP O=C(N[C@H]1CC[N@H+](CC2CCCC2)C1)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000464351560 501963670 /nfs/dbraw/zinc/96/36/70/501963670.db2.gz LVRDIUVOCREOLN-VXKWHMMOSA-N 2 0 369.553 3.279 20 0 FGADRP COc1ccc([C@@H](C)[NH2+]CCCN2CCN(c3cc[nH+]cc3)CC2)c(F)c1 ZINC000482113718 501978899 /nfs/dbraw/zinc/97/88/99/501978899.db2.gz YSJXZURKAPSHLS-QGZVFWFLSA-N 2 0 372.488 3.092 20 0 FGADRP Cc1nc2c(s1)[C@H]([NH2+]CCCN1CCN(c3cc[nH+]cc3)CC1)CCC2 ZINC000482117576 501980080 /nfs/dbraw/zinc/98/00/80/501980080.db2.gz CEYHJZQBOAVVAY-GOSISDBHSA-N 2 0 371.554 3.026 20 0 FGADRP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]C[C@H](O)COc1cccc2[nH]ccc21 ZINC000482141023 501987615 /nfs/dbraw/zinc/98/76/15/501987615.db2.gz XIZWHUKDYPGSHP-CMKODMSKSA-N 2 0 373.541 3.398 20 0 FGADRP C[N@H+](CCCNC(=O)CC[NH+]1CCc2ccccc2C1)Cc1ccccc1 ZINC000471400189 502012610 /nfs/dbraw/zinc/01/26/10/502012610.db2.gz VSXMGEIMCLOQEE-UHFFFAOYSA-N 2 0 365.521 3.073 20 0 FGADRP C[C@@H]1C[C@@H](c2ccccc2)C[N@@H+]1CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000475018424 502022760 /nfs/dbraw/zinc/02/27/60/502022760.db2.gz UWNQRBIHSNGEHP-STZQEDGTSA-N 2 0 365.521 3.284 20 0 FGADRP CCN(C(=O)NCCC[NH+](CC)CC)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475027157 502026665 /nfs/dbraw/zinc/02/66/65/502026665.db2.gz FLVNQSHWEWPZDO-FQEVSTJZSA-N 2 0 360.546 3.024 20 0 FGADRP C[C@H](CC[NH+]1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1)OCc1ccccc1 ZINC000475044594 502033353 /nfs/dbraw/zinc/03/33/53/502033353.db2.gz CKQCWQBVISYSOS-BHIFYINESA-N 2 0 373.585 3.472 20 0 FGADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCc1ccccc1C[NH+]1CCC[C@H](C)C1 ZINC000468416438 502054054 /nfs/dbraw/zinc/05/40/54/502054054.db2.gz ILFDQWPRKAHHRE-GBESFXJTSA-N 2 0 357.542 3.408 20 0 FGADRP CC(C)[C@@H]1CCC[C@@H]1[NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000468426894 502056182 /nfs/dbraw/zinc/05/61/82/502056182.db2.gz FOIGPTMWYAMBGD-HKBOAZHASA-N 2 0 357.542 3.298 20 0 FGADRP C[NH+](C)CCOCC[NH2+]Cc1cc(Br)cc(C(F)(F)F)c1 ZINC000471560019 502065579 /nfs/dbraw/zinc/06/55/79/502065579.db2.gz RYUFQOJCUMFDJN-UHFFFAOYSA-N 2 0 369.225 3.136 20 0 FGADRP Cc1cc(C)cc([C@@H](C)[NH2+]CCCC[NH+]2CCN(c3ncccn3)CC2)c1 ZINC000482441998 502068239 /nfs/dbraw/zinc/06/82/39/502068239.db2.gz WUDVANJULMUEMT-HXUWFJFHSA-N 2 0 367.541 3.346 20 0 FGADRP CCC[N@@H+]1CCC[C@H]1CNC(=O)NCc1cccc(C[NH+](CC)CC)c1 ZINC000478739911 502071971 /nfs/dbraw/zinc/07/19/71/502071971.db2.gz NGEBXMUXRWBOIR-FQEVSTJZSA-N 2 0 360.546 3.202 20 0 FGADRP CC[C@H]([NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1)c1ccccc1 ZINC000482453209 502072733 /nfs/dbraw/zinc/07/27/33/502072733.db2.gz MRUTZUQUGBETBN-FQEVSTJZSA-N 2 0 353.514 3.120 20 0 FGADRP C[NH+](C)[C@H](CNC(=O)C[NH2+][C@@H](c1cccs1)C1CC1)c1ccccc1 ZINC000475132995 502072753 /nfs/dbraw/zinc/07/27/53/502072753.db2.gz VWAPEAYJEDWWNJ-YLJYHZDGSA-N 2 0 357.523 3.208 20 0 FGADRP NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+][C@H]2CCCc3c4ccccc4sc32)C1 ZINC000482568548 502113397 /nfs/dbraw/zinc/11/33/97/502113397.db2.gz HFUURTMIQGOGEP-QAPCUYQASA-N 2 0 371.550 3.456 20 0 FGADRP CC[NH+]1CCC(NC(=O)C[N@H+](C)[C@@H](C)[C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000464871585 502132347 /nfs/dbraw/zinc/13/23/47/502132347.db2.gz HOWKIUUXGYFRCP-CVEARBPZSA-N 2 0 365.949 3.364 20 0 FGADRP COc1cc(Cl)ccc1C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000482667510 502144849 /nfs/dbraw/zinc/14/48/49/502144849.db2.gz VKMUFQWJZXXARF-UHFFFAOYSA-N 2 0 352.906 3.283 20 0 FGADRP CC(C)C[NH+]1CCC(NC(=O)NC(C)(C)CC[NH+]2CCCCCC2)CC1 ZINC000482675533 502147932 /nfs/dbraw/zinc/14/79/32/502147932.db2.gz XCHJNTCYWWBTFL-UHFFFAOYSA-N 2 0 366.594 3.451 20 0 FGADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000479057564 502150091 /nfs/dbraw/zinc/15/00/91/502150091.db2.gz IHTRPPBQRJCMCI-UHFFFAOYSA-N 2 0 374.573 3.402 20 0 FGADRP CCC(O)(CC)CC[NH2+]Cc1c(Cl)cccc1N1CC[NH+](C)CC1 ZINC000471998230 502195789 /nfs/dbraw/zinc/19/57/89/502195789.db2.gz MOMGZWLMRKYUFU-UHFFFAOYSA-N 2 0 353.938 3.123 20 0 FGADRP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+][C@@H]1CCc2cc(Br)ccc21 ZINC000482897282 502210451 /nfs/dbraw/zinc/21/04/51/502210451.db2.gz XCKMTMWJKVJZAK-FUHWJXTLSA-N 2 0 367.331 3.263 20 0 FGADRP CC[C@H](C)[NH2+][C@H](CNC(=O)NC[C@H](C)[N@@H+]1CCC[C@H](C)C1)c1ccco1 ZINC000479353433 502232896 /nfs/dbraw/zinc/23/28/96/502232896.db2.gz TZTVYCXLMVHTGC-XLAORIBOSA-N 2 0 364.534 3.128 20 0 FGADRP COc1ccsc1[C@@H](C)[NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000472142800 502246883 /nfs/dbraw/zinc/24/68/83/502246883.db2.gz SVUWPVZSWAIFGZ-MRXNPFEDSA-N 2 0 360.527 3.015 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccc2nc(C)sc2c1 ZINC000469043797 502275556 /nfs/dbraw/zinc/27/55/56/502275556.db2.gz STRFGHFYAULUJS-QGZVFWFLSA-N 2 0 374.554 3.093 20 0 FGADRP C[C@H]1CCC[N@H+](CCNC(=O)N2CC[C@@H](C)[NH+](Cc3ccccc3)CC2)C1 ZINC000465534703 502293909 /nfs/dbraw/zinc/29/39/09/502293909.db2.gz SOHKJXFVQWXWBE-VQTJNVASSA-N 2 0 372.557 3.024 20 0 FGADRP C[C@@H]1CCC[N@H+](CCNC(=O)N2CC[C@H](C)[NH+](Cc3ccccc3)CC2)C1 ZINC000465534702 502294099 /nfs/dbraw/zinc/29/40/99/502294099.db2.gz SOHKJXFVQWXWBE-UXHICEINSA-N 2 0 372.557 3.024 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)NCc1ccc(C[NH+]2CCCC[C@H]2C)cc1 ZINC000465556788 502306829 /nfs/dbraw/zinc/30/68/29/502306829.db2.gz BOQCTSIHQCOUQT-WIYYLYMNSA-N 2 0 372.557 3.345 20 0 FGADRP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NC[C@@H](CC(C)C)[NH+](CC)CC ZINC000465564653 502309626 /nfs/dbraw/zinc/30/96/26/502309626.db2.gz FVCOPFDVJLLUCE-CEXWTWQISA-N 2 0 352.567 3.011 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C)CC(C)C ZINC000465581041 502315542 /nfs/dbraw/zinc/31/55/42/502315542.db2.gz XKIXPHIIOMIBLT-OALUTQOASA-N 2 0 354.583 3.259 20 0 FGADRP CC[NH+]1CCC(CCNC(=O)NC[C@@H](C(C)C)[NH+]2CCCCCC2)CC1 ZINC000465585744 502316480 /nfs/dbraw/zinc/31/64/80/502316480.db2.gz TUKITPQCDBMOTD-FQEVSTJZSA-N 2 0 366.594 3.308 20 0 FGADRP COC1(C[N@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)CCCC1 ZINC000483262855 502332481 /nfs/dbraw/zinc/33/24/81/502332481.db2.gz AUVDTCJYYYDKJS-UHFFFAOYSA-N 2 0 351.579 3.074 20 0 FGADRP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@@H+]2CCC(C)=C(C)C2)CC1 ZINC000483366410 502362663 /nfs/dbraw/zinc/36/26/63/502362663.db2.gz NGBUUFHMPVOYHF-UHFFFAOYSA-N 2 0 355.526 3.071 20 0 FGADRP C[C@@H]([NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1)c1ccc2c(c1)COC2 ZINC000483530316 502423301 /nfs/dbraw/zinc/42/33/01/502423301.db2.gz IGXWEHNEDNHFQI-GOSISDBHSA-N 2 0 357.542 3.318 20 0 FGADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CC[C@@H]([NH+](CC)CC)C2)C1 ZINC000465906562 502423312 /nfs/dbraw/zinc/42/33/12/502423312.db2.gz YIPTUHOAGNBSNE-QZTJIDSGSA-N 2 0 352.567 3.013 20 0 FGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000483561599 502431384 /nfs/dbraw/zinc/43/13/84/502431384.db2.gz NQSRSPWYICVXMQ-BHIFYINESA-N 2 0 369.553 3.374 20 0 FGADRP CCCC[N@H+](C)CC1CCN(C(=O)N[C@@H](C)C[NH+]2CCCCCC2)CC1 ZINC000483619202 502444868 /nfs/dbraw/zinc/44/48/68/502444868.db2.gz FIPXIYYSQRXGMS-IBGZPJMESA-N 2 0 366.594 3.404 20 0 FGADRP CC[NH+](CC)CCSCC(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000469520010 502449826 /nfs/dbraw/zinc/44/98/26/502449826.db2.gz BXRFTKIKCJRHCA-RBUKOAKNSA-N 2 0 369.619 3.174 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)[C@@H]2CCN2Cc2ccccc2)C1 ZINC000469523062 502450585 /nfs/dbraw/zinc/45/05/85/502450585.db2.gz CNDXDKNIOKNUEF-FCEUIQTBSA-N 2 0 369.553 3.374 20 0 FGADRP CC(C)[NH+](CCNC(=O)N[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1)C(C)C ZINC000466147885 502489109 /nfs/dbraw/zinc/48/91/09/502489109.db2.gz YRJNABKCMWEDMZ-ICSRJNTNSA-N 2 0 360.546 3.067 20 0 FGADRP Cc1cc(N2CC[N@@H+](C[C@@H](C)O)C[C@H]2C)c2cc(OC(F)F)ccc2[nH+]1 ZINC000480191340 502496713 /nfs/dbraw/zinc/49/67/13/502496713.db2.gz OHFPYUPCYSNKRQ-ZIAGYGMSSA-N 2 0 365.424 3.036 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NCCCCC[NH+]2CCCCC2)C[C@@H]1C ZINC000483822121 502501611 /nfs/dbraw/zinc/50/16/11/502501611.db2.gz RZFOFXYPPFMIPP-OALUTQOASA-N 2 0 352.567 3.157 20 0 FGADRP COc1ccc(OC)c(C[NH2+][C@H](C)c2cccc(OCC[NH+](C)C)c2)c1 ZINC000480263035 502517050 /nfs/dbraw/zinc/51/70/50/502517050.db2.gz KUJXZPZKPXLEKD-MRXNPFEDSA-N 2 0 358.482 3.495 20 0 FGADRP CC(C)C[C@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)N1CCOCC1 ZINC000480266333 502518411 /nfs/dbraw/zinc/51/84/11/502518411.db2.gz OQJAHDOEHUREOS-YMPZKCBVSA-N 2 0 373.585 3.234 20 0 FGADRP C[C@@H]1CCCN1C(=O)CC[NH2+]C1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC000469763685 502535473 /nfs/dbraw/zinc/53/54/73/502535473.db2.gz LEGTXNFSFKQMCJ-GUDVDZBRSA-N 2 0 357.542 3.134 20 0 FGADRP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)N1CC[NH+](C2CCC2)C[C@H](C)C1 ZINC000487826040 502541407 /nfs/dbraw/zinc/54/14/07/502541407.db2.gz WVVPHSPBSJQGHN-OALUTQOASA-N 2 0 364.578 3.157 20 0 FGADRP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[NH+]1CCC(OCCC[NH3+])CC1 ZINC000469849131 502567152 /nfs/dbraw/zinc/56/71/52/502567152.db2.gz CALMMKFPHSPSAK-UHFFFAOYSA-N 2 0 370.541 3.186 20 0 FGADRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CC[NH+](C3CCC3)C[C@H](C)C2)C1 ZINC000487965477 502582725 /nfs/dbraw/zinc/58/27/25/502582725.db2.gz TWJFUHGIZCYYSZ-MSOLQXFVSA-N 2 0 364.578 3.013 20 0 FGADRP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000469884987 502583657 /nfs/dbraw/zinc/58/36/57/502583657.db2.gz RBXFLLXWEKXPNZ-ILWGZMRPSA-N 2 0 352.526 3.416 20 0 FGADRP C[C@@H]1C[C@@H](NC(=O)NCCC[NH2+]C2CCCCC2)C[N@@H+]1Cc1ccccc1 ZINC000466517911 502595237 /nfs/dbraw/zinc/59/52/37/502595237.db2.gz KUPPLPOYCVNPCD-WIYYLYMNSA-N 2 0 372.557 3.261 20 0 FGADRP CC(C)c1cc(NCc2cccc(C[NH+]3CCCC3)c2)nc(N(C)C)[nH+]1 ZINC000462922019 502627635 /nfs/dbraw/zinc/62/76/35/502627635.db2.gz FYUFKHIAYRUHQP-UHFFFAOYSA-N 2 0 353.514 3.296 20 0 FGADRP CCN(CC[NH+]1CCCCCC1)C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000484370504 502634256 /nfs/dbraw/zinc/63/42/56/502634256.db2.gz JXAHSEVAKZQHLW-UHFFFAOYSA-N 2 0 352.567 3.157 20 0 FGADRP COCC[N@H+](C)CCC[NH2+][C@@H]1CCCC[C@@H]1c1ccc(OC)c(F)c1 ZINC000480771661 502666470 /nfs/dbraw/zinc/66/64/70/502666470.db2.gz OQPLXZHOUVFAQI-IEBWSBKVSA-N 2 0 352.494 3.418 20 0 FGADRP C[C@@H](NC(=O)N[C@@H](C)C[N@@H+]1CCC[C@@H](C)C1)[C@H](c1ccccc1)[NH+](C)C ZINC000484591101 502678431 /nfs/dbraw/zinc/67/84/31/502678431.db2.gz NGRLZIUBTWHFDP-AJYBTWMASA-N 2 0 360.546 3.097 20 0 FGADRP OC[C@H](C[NH2+]C1CC[NH+](CCc2ccccc2)CC1)Cc1ccccc1 ZINC000463077129 502686482 /nfs/dbraw/zinc/68/64/82/502686482.db2.gz FYMBLIQVYWOHTF-QFIPXVFZSA-N 2 0 352.522 3.134 20 0 FGADRP C[C@@H](NC(=O)[C@H](C)[NH+]1CCC(C[NH+](C)C)CC1)c1ccc(Cl)cc1 ZINC000480969262 502716009 /nfs/dbraw/zinc/71/60/09/502716009.db2.gz VPGXANLOCLTBIB-CABCVRRESA-N 2 0 351.922 3.179 20 0 FGADRP CCN(C(=O)NCC[NH+](CC)CC)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000473884242 502737192 /nfs/dbraw/zinc/73/71/92/502737192.db2.gz HLSPCGOTISQTSB-AZUAARDMSA-N 2 0 360.546 3.195 20 0 FGADRP CC1CC[NH+](CC(=O)NCc2cccc(C[NH+]3CCC(C)CC3)c2)CC1 ZINC000473921459 502750052 /nfs/dbraw/zinc/75/00/52/502750052.db2.gz JHRFDJFNBYXOPR-UHFFFAOYSA-N 2 0 357.542 3.267 20 0 FGADRP CC[N@H+](CCNC(=O)NC1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C)C(C)C ZINC000474006781 502777282 /nfs/dbraw/zinc/77/72/82/502777282.db2.gz BZGSKCMSSFGCNS-RTBURBONSA-N 2 0 374.573 3.173 20 0 FGADRP CC[N@@H+]1CC[C@H]([NH+](C)CCC(=O)NCc2ccccc2Cl)C[C@H]1C ZINC000484923977 502778568 /nfs/dbraw/zinc/77/85/68/502778568.db2.gz VPBLQMKWIQFDBH-WBVHZDCISA-N 2 0 351.922 3.151 20 0 FGADRP O=C(C[NH2+][C@H]1CCCC[C@@H]1Cc1ccccc1)NC1CC[NH+](C2CC2)CC1 ZINC000481207512 502783887 /nfs/dbraw/zinc/78/38/87/502783887.db2.gz XBKLAZBRLSQSBN-KNQAVFIVSA-N 2 0 369.553 3.121 20 0 FGADRP C[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)C1CCC(F)(F)CC1 ZINC000474030409 502784370 /nfs/dbraw/zinc/78/43/70/502784370.db2.gz MUHGPWOPVYXOEK-HNNXBMFYSA-N 2 0 352.473 3.137 20 0 FGADRP C[C@@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)C1CCC(F)(F)CC1 ZINC000474084212 502803190 /nfs/dbraw/zinc/80/31/90/502803190.db2.gz SQSQYSGXWFXKLH-OAHLLOKOSA-N 2 0 367.484 3.282 20 0 FGADRP C[NH+](C)CCCC1CCN(C(=O)NCC2([NH+](C)C)CCCCC2)CC1 ZINC000500812445 502868265 /nfs/dbraw/zinc/86/82/65/502868265.db2.gz XWXTWNFUQQUTAC-UHFFFAOYSA-N 2 0 352.567 3.014 20 0 FGADRP C[N@@H+]1CCC[C@H]1CC[NH2+][C@@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1 ZINC000513195722 502874266 /nfs/dbraw/zinc/87/42/66/502874266.db2.gz GRMRHISHZWNLQR-ZWKOTPCHSA-N 2 0 356.432 3.481 20 0 FGADRP C[N@@H+]1CCC[C@@H]1CC[NH2+][C@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1 ZINC000513195719 502874763 /nfs/dbraw/zinc/87/47/63/502874763.db2.gz GRMRHISHZWNLQR-MSOLQXFVSA-N 2 0 356.432 3.481 20 0 FGADRP CC[C@H](CC(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@@H+]1CC)c1ccccc1 ZINC000505343927 502891467 /nfs/dbraw/zinc/89/14/67/502891467.db2.gz NBXXNHRFWOFVPF-CTNGQTDRSA-N 2 0 359.558 3.445 20 0 FGADRP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]C1CCN(C(=O)c2ccoc2)CC1 ZINC000513331713 502906571 /nfs/dbraw/zinc/90/65/71/502906571.db2.gz VEGGHOXNVQLKGA-XLIONFOSSA-N 2 0 361.530 3.374 20 0 FGADRP COc1ccc([C@@H]([NH2+]CCCN2CC[NH+](C)CC2)c2ccc(F)cc2)cc1 ZINC000501061430 502924616 /nfs/dbraw/zinc/92/46/16/502924616.db2.gz XEIDODZWYQHFOQ-QFIPXVFZSA-N 2 0 371.500 3.151 20 0 FGADRP COCC[C@H]1CCCC[N@H+](CCCN2CCN(c3ccccc3)CC2)C1 ZINC000509623060 502951475 /nfs/dbraw/zinc/95/14/75/502951475.db2.gz PWMLAPBMBKHICL-OAQYLSRUSA-N 2 0 359.558 3.337 20 0 FGADRP C[C@H]1C[C@H](CC[NH2+]Cc2cc(C(N)=O)cs2)C[N@@H+]1Cc1ccccc1 ZINC000513500018 502954667 /nfs/dbraw/zinc/95/46/67/502954667.db2.gz KKIBCKSVZKVCOA-RDJZCZTQSA-N 2 0 357.523 3.237 20 0 FGADRP O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000505708761 502971054 /nfs/dbraw/zinc/97/10/54/502971054.db2.gz FMSGXCBUGNPVOK-RTWAWAEBSA-N 2 0 370.541 3.099 20 0 FGADRP CC(C)[C@H]([NH2+]Cc1ccc(CN2CC[NH+](C)CC2)cc1)c1ccc(F)cn1 ZINC000497553149 502985953 /nfs/dbraw/zinc/98/59/53/502985953.db2.gz LEBBZQDKJQSONM-QFIPXVFZSA-N 2 0 370.516 3.455 20 0 FGADRP CCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@H](C)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000501388311 502999152 /nfs/dbraw/zinc/99/91/52/502999152.db2.gz UCVCAEMMOMFERP-GIVPXCGWSA-N 2 0 372.557 3.071 20 0 FGADRP CC[NH+](CC)CCN(Cc1ccccc1)C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000489752208 503026543 /nfs/dbraw/zinc/02/65/43/503026543.db2.gz DSXOTSUOLJYMSU-RTWAWAEBSA-N 2 0 374.573 3.413 20 0 FGADRP CCc1ccc([C@H](CNC(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)[NH+](C)C)cc1 ZINC000489774579 503031274 /nfs/dbraw/zinc/03/12/74/503031274.db2.gz IZAIAPSLDOLFRY-UFYCRDLUSA-N 2 0 360.546 3.024 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000489784566 503033453 /nfs/dbraw/zinc/03/34/53/503033453.db2.gz WOAFWZVKXJHKFE-NRSPTQNISA-N 2 0 372.557 3.165 20 0 FGADRP C[C@H]1CCC[N@H+](CCNC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000501547736 503034571 /nfs/dbraw/zinc/03/45/71/503034571.db2.gz CXBHGJUXJMSPAY-IBGZPJMESA-N 2 0 372.557 3.204 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NCC1([NH+](C)C)CCCC1 ZINC000489830259 503044153 /nfs/dbraw/zinc/04/41/53/503044153.db2.gz KBWOYXWKNMEAFV-QUCCMNQESA-N 2 0 372.557 3.071 20 0 FGADRP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@@](C)(c3ccccc3)CC2)CC1 ZINC000510097546 503048743 /nfs/dbraw/zinc/04/87/43/503048743.db2.gz GUONVNQJSBZZQM-JOCHJYFZSA-N 2 0 357.542 3.031 20 0 FGADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000513936909 503051706 /nfs/dbraw/zinc/05/17/06/503051706.db2.gz AAWMRGOCYNFPCX-FCHUYYIVSA-N 2 0 365.521 3.111 20 0 FGADRP COc1ccc([C@H](CNC(=O)[C@@H](C)[NH+]2CCCCCC2)[NH+]2CCCC2)cc1 ZINC000510183204 503066259 /nfs/dbraw/zinc/06/62/59/503066259.db2.gz FQJRCFCRAOQEJX-NQIIRXRSSA-N 2 0 373.541 3.213 20 0 FGADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)NCCCNc2ccccn2)C1 ZINC000514051026 503075597 /nfs/dbraw/zinc/07/55/97/503075597.db2.gz SXVOEEZIRPWATM-IEBWSBKVSA-N 2 0 367.497 3.018 20 0 FGADRP COc1ccc(-c2nnc(C[NH+]3CCC(CCC[NH+](C)C)CC3)o2)cc1 ZINC000501768642 503076500 /nfs/dbraw/zinc/07/65/00/503076500.db2.gz CSQOPRCBSRNEPG-UHFFFAOYSA-N 2 0 358.486 3.299 20 0 FGADRP O=C(NCCC[NH2+]C1CCCCC1)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000501795954 503081301 /nfs/dbraw/zinc/08/13/01/503081301.db2.gz GTGMIIMEQZRCQY-NRFANRHFSA-N 2 0 372.557 3.435 20 0 FGADRP COc1ccccc1[C@H](CN[C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21)[NH+]1CCCC1 ZINC000514083818 503083042 /nfs/dbraw/zinc/08/30/42/503083042.db2.gz MUPQVRQPIXFFNY-PBASOCQRSA-N 2 0 357.542 3.295 20 0 FGADRP C[C@@H]([NH2+]CCCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1ccc2c(c1)OCC(=O)N2 ZINC000514094974 503085651 /nfs/dbraw/zinc/08/56/51/503085651.db2.gz PCFODLZTABFOAW-IXDOHACOSA-N 2 0 359.514 3.426 20 0 FGADRP C[C@H]([NH2+]CCCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1ccc2c(c1)OCC(=O)N2 ZINC000514094975 503085832 /nfs/dbraw/zinc/08/58/32/503085832.db2.gz PCFODLZTABFOAW-ZACQAIPSSA-N 2 0 359.514 3.426 20 0 FGADRP C[C@@H](CNC(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1)[NH+]1CCCC[C@H]1C ZINC000514244956 503123893 /nfs/dbraw/zinc/12/38/93/503123893.db2.gz PPMBDXQPGYZPEK-KURKYZTESA-N 2 0 352.567 3.059 20 0 FGADRP COc1cc(C)c(C[C@H](C)[NH2+]CCCN2C[C@@H](C)O[C@@H](C)C2)cc1OC ZINC000502245288 503168433 /nfs/dbraw/zinc/16/84/33/503168433.db2.gz WYIGSAILHJCRDB-OKZBNKHCSA-N 2 0 364.530 3.032 20 0 FGADRP C[C@H](CCc1c(F)cccc1F)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000510687173 503172858 /nfs/dbraw/zinc/17/28/58/503172858.db2.gz OCONTKVNFNUZMD-MRXNPFEDSA-N 2 0 374.479 3.223 20 0 FGADRP Cc1cccc([C@H]([NH2+][C@@H](C)CN2CC[NH+](C)CC2)c2cccc(F)c2)c1 ZINC000510747776 503184273 /nfs/dbraw/zinc/18/42/73/503184273.db2.gz HFSKHAVJVFWOPE-AVRDEDQJSA-N 2 0 355.501 3.449 20 0 FGADRP Cc1cccc([C@@H]([NH2+][C@@H](C)CN2CC[NH+](C)CC2)c2cccc(F)c2)c1 ZINC000510747781 503184597 /nfs/dbraw/zinc/18/45/97/503184597.db2.gz HFSKHAVJVFWOPE-PGRDOPGGSA-N 2 0 355.501 3.449 20 0 FGADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1csc(-c2ccccc2)n1 ZINC000502586123 503232809 /nfs/dbraw/zinc/23/28/09/503232809.db2.gz SAKCHFDWCJCZGD-UHFFFAOYSA-N 2 0 374.554 3.156 20 0 FGADRP CCCC[N@H+](C)CCNC(=O)NC[C@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC000490988246 503256377 /nfs/dbraw/zinc/25/63/77/503256377.db2.gz LIBDDYRVPLBOEG-HXUWFJFHSA-N 2 0 360.546 3.163 20 0 FGADRP COc1ccc([C@H]2CCCCCN2C(=O)CN[C@H]2CC[NH2+]CC2(C)C)cc1 ZINC000515048215 503259545 /nfs/dbraw/zinc/25/95/45/503259545.db2.gz BZDIQTJCFKFRCA-UXHICEINSA-N 2 0 373.541 3.117 20 0 FGADRP C[C@@H]([NH2+]C1(CNC(=O)N[C@@H](C)CC[NH+](C)C)CCCC1)c1ccccc1 ZINC000502796847 503274453 /nfs/dbraw/zinc/27/44/53/503274453.db2.gz BDEFDEBPODPUDM-ZWKOTPCHSA-N 2 0 360.546 3.289 20 0 FGADRP C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)NCC2([NH+](C)C)CCCCC2)C1 ZINC000502839466 503285550 /nfs/dbraw/zinc/28/55/50/503285550.db2.gz BEDYOGPOXMFIGG-OALUTQOASA-N 2 0 366.594 3.308 20 0 FGADRP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]C[C@H](O)COc2ccccc2)CC1 ZINC000515205187 503292070 /nfs/dbraw/zinc/29/20/70/503292070.db2.gz JZLGEHIGQRXFIE-KNQAVFIVSA-N 2 0 368.521 3.112 20 0 FGADRP C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)NCc2ccc(C[NH+](C)C)cc2)C1 ZINC000502878436 503296376 /nfs/dbraw/zinc/29/63/76/503296376.db2.gz ZYFVHESIPGPNQS-OALUTQOASA-N 2 0 374.573 3.306 20 0 FGADRP CC[NH+]1CCC(CC[NH2+]Cc2cnc(-c3ccccc3OC)nc2)CC1 ZINC000491361750 503300804 /nfs/dbraw/zinc/30/08/04/503300804.db2.gz QEWGLFMCGQMMKA-UHFFFAOYSA-N 2 0 354.498 3.364 20 0 FGADRP O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)N1CC[NH+](C2CCCC2)CC1 ZINC000515294652 503309046 /nfs/dbraw/zinc/30/90/46/503309046.db2.gz RCXFJKPMVIGSTG-NRFANRHFSA-N 2 0 370.541 3.093 20 0 FGADRP C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)N3CC[NH+](C)CC[C@H]3C)cc2)C1 ZINC000502937581 503311180 /nfs/dbraw/zinc/31/11/80/503311180.db2.gz WBHKKVHQKZSBJM-RBUKOAKNSA-N 2 0 372.557 3.154 20 0 FGADRP C[C@@H](NC(=O)NCC(C)(C)C[NH+]1CCCC1)[C@H](c1ccccc1)[NH+](C)C ZINC000503110765 503349303 /nfs/dbraw/zinc/34/93/03/503349303.db2.gz MMTPOIZMRRHMFN-IEBWSBKVSA-N 2 0 360.546 3.099 20 0 FGADRP O=C(CC[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1)N1CCCc2ccccc21 ZINC000503119560 503351287 /nfs/dbraw/zinc/35/12/87/503351287.db2.gz IIVRWNJKTQCGEE-HXUWFJFHSA-N 2 0 355.526 3.306 20 0 FGADRP CCCN(CC[NH+]1CCCC1)C(=O)N[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000499186082 503351687 /nfs/dbraw/zinc/35/16/87/503351687.db2.gz AEQXIPWEXTXHPS-CTNGQTDRSA-N 2 0 372.557 3.167 20 0 FGADRP CC1CC[NH+](C2CCC([NH2+]Cc3ccc4c(c3)oc(=O)n4C)CC2)CC1 ZINC000511712409 503374774 /nfs/dbraw/zinc/37/47/74/503374774.db2.gz AIPPOCQHQCTCSB-UHFFFAOYSA-N 2 0 357.498 3.264 20 0 FGADRP Fc1cccc(-c2noc([C@H]3CCC[N@H+](CC[C@@H]4CCC[NH2+]C4)C3)n2)c1 ZINC000515623099 503375941 /nfs/dbraw/zinc/37/59/41/503375941.db2.gz WRPDZOVSCUCPPS-RDJZCZTQSA-N 2 0 358.461 3.445 20 0 FGADRP C[NH+](C)[C@H]1CCc2cc(NC(=O)C3CC[NH+]([C@@H]4CCSC4)CC3)ccc21 ZINC000515798291 503403781 /nfs/dbraw/zinc/40/37/81/503403781.db2.gz NCJFRDRLJYEUOZ-QUCCMNQESA-N 2 0 373.566 3.392 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccc(C(C)(C)C)cc1 ZINC000499505125 503420053 /nfs/dbraw/zinc/42/00/53/503420053.db2.gz BOKPZXCGGCVBKF-FQEVSTJZSA-N 2 0 359.558 3.472 20 0 FGADRP Cc1cc([C@@H](C)[NH2+]CCN2CCC([NH+](C)C)CC2)sc1Br ZINC000512066660 503448814 /nfs/dbraw/zinc/44/88/14/503448814.db2.gz GZGHBKWGECMKIP-CYBMUJFWSA-N 2 0 374.392 3.496 20 0 FGADRP C[C@@H]1[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)CC[N@@H+]1Cc1ccccc1 ZINC000494000583 503472840 /nfs/dbraw/zinc/47/28/40/503472840.db2.gz SLVDMWWCAAFOOY-UTKZUKDTSA-N 2 0 351.494 3.141 20 0 FGADRP CCC[C@H]([NH2+]C(C)C)C(=O)N[C@H]1CC[N@H+](C2CC2)[C@H]1c1cccc(OC)c1 ZINC000503867327 503481066 /nfs/dbraw/zinc/48/10/66/503481066.db2.gz BLFOMQRSHLATHY-ACRUOGEOSA-N 2 0 373.541 3.256 20 0 FGADRP COc1cc(Br)c(C[NH2+]CC2(C)CC[NH+](C)CC2)c(OC)c1 ZINC000503912282 503488032 /nfs/dbraw/zinc/48/80/32/503488032.db2.gz MODWSITVTFJRBV-UHFFFAOYSA-N 2 0 371.319 3.288 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cc(F)c(F)cc1Cl ZINC000508459308 503497658 /nfs/dbraw/zinc/49/76/58/503497658.db2.gz UQMNSZRDKSRJKS-ZDUSSCGKSA-N 2 0 373.875 3.106 20 0 FGADRP CCCc1csc(C[NH2+]CCCN2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000494355085 503529669 /nfs/dbraw/zinc/52/96/69/503529669.db2.gz ADOLJUHEMVCSGE-UHFFFAOYSA-N 2 0 372.582 3.393 20 0 FGADRP CC1CC[NH+]([C@@H](CNC(=O)NCC[NH+]2CCCCC2)c2ccccc2)CC1 ZINC000516559868 503536427 /nfs/dbraw/zinc/53/64/27/503536427.db2.gz BRHRNEQECDOPCT-NRFANRHFSA-N 2 0 372.557 3.245 20 0 FGADRP C[C@H](CNC(=O)N[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1)C[NH+]1CCCCC1 ZINC000516582079 503542389 /nfs/dbraw/zinc/54/23/89/503542389.db2.gz QRWFNDIBVGGVRM-DYXWJJEUSA-N 2 0 372.557 3.243 20 0 FGADRP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)[C@H]2CCC[N@@H+]2C2CC2)C1 ZINC000494458447 503545091 /nfs/dbraw/zinc/54/50/91/503545091.db2.gz SASKSWXRAFIHSN-JBYIUTFZSA-N 2 0 369.553 3.408 20 0 FGADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+][C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000494505072 503553436 /nfs/dbraw/zinc/55/34/36/503553436.db2.gz JFBUONQDZYIWRO-SZXPJGKVSA-N 2 0 366.347 3.346 20 0 FGADRP C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000516682417 503568200 /nfs/dbraw/zinc/56/82/00/503568200.db2.gz KJNRIUQTFBNPTB-GUDVDZBRSA-N 2 0 364.578 3.013 20 0 FGADRP C[C@@H](NC(=O)N1CCC([NH+]2CCCCC2)CC1)[C@H](c1ccccc1)[NH+](C)C ZINC000508848867 503576620 /nfs/dbraw/zinc/57/66/20/503576620.db2.gz AYZDHKHDCJNHET-WIYYLYMNSA-N 2 0 372.557 3.338 20 0 FGADRP CC(C)[N@@H+]1[C@@H]2CC[C@H]1CN(C(=O)N[C@H](C)[C@H](c1ccccc1)[NH+](C)C)CC2 ZINC000508869734 503583261 /nfs/dbraw/zinc/58/32/61/503583261.db2.gz YWTQARDQAIWNFM-AYWYSENESA-N 2 0 372.557 3.335 20 0 FGADRP COCc1ccccc1/C=C(\C)C[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000508875637 503584933 /nfs/dbraw/zinc/58/49/33/503584933.db2.gz BMJVTKWLJNSNJO-WANHGMNSSA-N 2 0 371.569 3.194 20 0 FGADRP O=C(CC[C@H]1CCC[NH2+]1)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000494657628 503586238 /nfs/dbraw/zinc/58/62/38/503586238.db2.gz UTORALUEMAZMHU-HXUWFJFHSA-N 2 0 351.494 3.016 20 0 FGADRP C[NH+](C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)CC[C@@H]1CCC[NH2+]1 ZINC000494662116 503586998 /nfs/dbraw/zinc/58/69/98/503586998.db2.gz ANKNNDQEHSGVBD-KRWDZBQOSA-N 2 0 371.447 3.128 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)CC[C@@H]1CCC[NH2+]1)c1ccccc1Cl ZINC000494681026 503590043 /nfs/dbraw/zinc/59/00/43/503590043.db2.gz JUPNHTVVHBDNJL-MAUKXSAKSA-N 2 0 351.922 3.371 20 0 FGADRP Cc1ccccc1[C@H]([C@@H](C)NC(=O)N1CCC[C@@H]([NH+]2CCCC2)C1)[NH+](C)C ZINC000508894672 503592225 /nfs/dbraw/zinc/59/22/25/503592225.db2.gz GDJMRAMEFDCTHL-SBHAEUEKSA-N 2 0 372.557 3.256 20 0 FGADRP C[C@@H](NC(=O)N1CCC(C[NH+]2CCCC2)CC1)[C@@H](c1ccccc1)[NH+](C)C ZINC000508901104 503594755 /nfs/dbraw/zinc/59/47/55/503594755.db2.gz UEWPCOAGWWMEDW-NQIIRXRSSA-N 2 0 372.557 3.195 20 0 FGADRP Cc1ccccc1[C@H]([C@H](C)NC(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21)[NH+](C)C ZINC000508902334 503595401 /nfs/dbraw/zinc/59/54/01/503595401.db2.gz WFXJRBMWYWGSDS-MMKMLUHNSA-N 2 0 372.557 3.112 20 0 FGADRP CC(C)[NH+](CCN(C)C(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)C(C)C ZINC000512693378 503614819 /nfs/dbraw/zinc/61/48/19/503614819.db2.gz IMLLHSYCFYZEKN-RBUKOAKNSA-N 2 0 366.594 3.400 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccc2nccc(C)c2c1 ZINC000509070904 503634899 /nfs/dbraw/zinc/63/48/99/503634899.db2.gz OTENDYFTJASYPU-LJQANCHMSA-N 2 0 368.525 3.031 20 0 FGADRP [NH3+]C[C@H]1c2ccccc2CCN1C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000517029041 503647051 /nfs/dbraw/zinc/64/70/51/503647051.db2.gz WJWLAVOCDSEUBW-NRFANRHFSA-N 2 0 370.541 3.051 20 0 FGADRP C[C@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@H+](C)C[C@H]1CC=CCC1 ZINC000543173329 503659198 /nfs/dbraw/zinc/65/91/98/503659198.db2.gz QZFMTFZLLCPGRK-SVFBPWRDSA-N 2 0 355.526 3.054 20 0 FGADRP COc1ccc([C@H](CNC(=O)C[NH2+][C@@H]2CCC2(C)C)[NH+]2CCCCC2)cc1 ZINC000517172513 503662266 /nfs/dbraw/zinc/66/22/66/503662266.db2.gz XQJIBSYGBTXLBO-VQTJNVASSA-N 2 0 373.541 3.117 20 0 FGADRP O=C(NC[C@@H]1CC[N@@H+]1C1CCCCC1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000529719305 503677545 /nfs/dbraw/zinc/67/75/45/503677545.db2.gz XDDGRQMIXUHDFM-CTNGQTDRSA-N 2 0 355.526 3.032 20 0 FGADRP Cc1c[nH+]ccc1N1CCC(C(=O)NC[C@@H]2CC[N@@H+]2C2CCCCC2)CC1 ZINC000529721965 503680821 /nfs/dbraw/zinc/68/08/21/503680821.db2.gz FKXWEKPGAHZYMI-FQEVSTJZSA-N 2 0 370.541 3.130 20 0 FGADRP C[C@@H]([NH2+]CCCC[NH+]1CCN(C)CC1)c1csc(-c2ccccc2)n1 ZINC000517223016 503682149 /nfs/dbraw/zinc/68/21/49/503682149.db2.gz WAYGROMXWGRLCT-QGZVFWFLSA-N 2 0 358.555 3.488 20 0 FGADRP CC[C@@H](O)[C@@H]1CCCC[NH+]1CCCCC[N@H+]1CCCC[C@H]1[C@@H](O)CC ZINC000532990411 503691608 /nfs/dbraw/zinc/69/16/08/503691608.db2.gz CVHNEGVOJJPVBD-XSDIEEQYSA-N 2 0 354.579 3.408 20 0 FGADRP CC[NH+](CC)CCOC1CC[NH+](Cc2cnn(Cc3ccccc3)c2)CC1 ZINC000536711536 503693979 /nfs/dbraw/zinc/69/39/79/503693979.db2.gz XLJWISPMEYQDRO-UHFFFAOYSA-N 2 0 370.541 3.254 20 0 FGADRP C=Cn1cc(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)cn1 ZINC000517382329 503730329 /nfs/dbraw/zinc/73/03/29/503730329.db2.gz WBELLXJNYUNMRG-OAQYLSRUSA-N 2 0 366.509 3.002 20 0 FGADRP CC(C)[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)c1ccc2[nH]c(=O)oc2c1 ZINC000540300945 503732691 /nfs/dbraw/zinc/73/26/91/503732691.db2.gz FIWWBDMTYBKZON-VQIMIIECSA-N 2 0 361.486 3.057 20 0 FGADRP CC[N@H+](CCC1CCN(C(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1)CC(C)C ZINC000536927761 503763108 /nfs/dbraw/zinc/76/31/08/503763108.db2.gz UTOYCYXPPRVLHL-RTBURBONSA-N 2 0 351.579 3.466 20 0 FGADRP C[NH+](C)[C@@H](CNC(=O)NCCCCC[NH+]1CCCCC1)c1ccsc1 ZINC000517703652 503811464 /nfs/dbraw/zinc/81/14/64/503811464.db2.gz VOUIQZTWEHQZGR-SFHVURJKSA-N 2 0 366.575 3.306 20 0 FGADRP COC(=O)c1coc(C[NH2+]CC[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)c1 ZINC000543634403 503835959 /nfs/dbraw/zinc/83/59/59/503835959.db2.gz ZCCQXKCFWIZPEJ-WMZOPIPTSA-N 2 0 356.466 3.457 20 0 FGADRP C[C@@H]1C[N@@H+](CCC2CC[NH+](Cc3ccc4c(c3)ncn4C)CC2)C[C@H](C)O1 ZINC000537204299 503841671 /nfs/dbraw/zinc/84/16/71/503841671.db2.gz ISHDDWJJVRCZDO-HDICACEKSA-N 2 0 370.541 3.285 20 0 FGADRP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(C[NH2+][C@H]3CCCC34CCC4)c2)C1 ZINC000517850618 503850543 /nfs/dbraw/zinc/85/05/43/503850543.db2.gz XEABBQHVNCGREF-UXHICEINSA-N 2 0 355.526 3.196 20 0 FGADRP C[C@@H]1C[C@H](NC(=O)CCN(C)c2cc[nH+]cc2)CC[N@@H+]1Cc1ccccc1 ZINC000543713762 503862342 /nfs/dbraw/zinc/86/23/42/503862342.db2.gz UTBKTEZWQLGFAU-UYAOXDASSA-N 2 0 366.509 3.077 20 0 FGADRP C[C@H]1CCN(C(=O)CCN(C)c2cc[nH+]cc2)CC[N@@H+]1Cc1ccccc1 ZINC000543712969 503863198 /nfs/dbraw/zinc/86/31/98/503863198.db2.gz HQUZKVPGVHVNLP-IBGZPJMESA-N 2 0 366.509 3.031 20 0 FGADRP CN1CCC[C@H]([NH2+]Cc2c[nH]nc2-c2ccc(Br)s2)C1 ZINC000527642101 503872150 /nfs/dbraw/zinc/87/21/50/503872150.db2.gz AYDODBMICIGRJG-NSHDSACASA-N 2 0 355.305 3.085 20 0 FGADRP CC[N@H+](CC(=O)NCc1ccc(C[NH+]2C[C@H](C)C[C@H](C)C2)cc1)C1CC1 ZINC000533527631 503876316 /nfs/dbraw/zinc/87/63/16/503876316.db2.gz ZWRJMSGBXSFNQZ-HDICACEKSA-N 2 0 357.542 3.265 20 0 FGADRP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530247623 503893203 /nfs/dbraw/zinc/89/32/03/503893203.db2.gz BBAIVIPAFFKXBX-QFIPXVFZSA-N 3 0 373.585 3.235 20 0 FGADRP CCOc1ccc(C[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)cc1OCC ZINC000530249730 503893999 /nfs/dbraw/zinc/89/39/99/503893999.db2.gz YFEQOQGDGYIWFZ-IBGZPJMESA-N 2 0 362.514 3.075 20 0 FGADRP COc1ccc(C[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)c2ccccc12 ZINC000530248822 503894597 /nfs/dbraw/zinc/89/45/97/503894597.db2.gz PYPXLFZNSNRRIC-IBGZPJMESA-N 2 0 354.494 3.439 20 0 FGADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)NC[C@H]2CC[NH+]2C2CCCC2)C1 ZINC000527691344 503897720 /nfs/dbraw/zinc/89/77/20/503897720.db2.gz JMXNHCZBJQKSIT-YFVAEKQCSA-N 2 0 370.541 3.138 20 0 FGADRP CC[NH+](CC)Cc1ccc(C[NH2+][C@H](Cc2ccc(Cl)cc2)C(N)=O)cc1 ZINC000546885719 503915359 /nfs/dbraw/zinc/91/53/59/503915359.db2.gz UBSUWOQIBADEDS-HXUWFJFHSA-N 2 0 373.928 3.368 20 0 FGADRP Cc1cc(NC(=O)N[C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c(C)cn1 ZINC000540913520 503936000 /nfs/dbraw/zinc/93/60/00/503936000.db2.gz SSNHUYWLFRSNHQ-IEBWSBKVSA-N 2 0 352.482 3.152 20 0 FGADRP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+]C[C@H](O)COCc2ccccc2Cl)C1 ZINC000518362217 503962828 /nfs/dbraw/zinc/96/28/28/503962828.db2.gz KNSHSRYKPAAMRW-HKUYNNGSSA-N 2 0 368.949 3.175 20 0 FGADRP CCCCO[C@@H]1C[C@@H]([NH2+]Cc2ccccc2C[N@@H+]2CC[C@@H](O)C2)C1(C)C ZINC000540988591 503966156 /nfs/dbraw/zinc/96/61/56/503966156.db2.gz NVVPSNVJZIYBGS-NJDAHSKKSA-N 2 0 360.542 3.327 20 0 FGADRP CC[C@@H](CCc1ccccc1)[NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000527854937 503973542 /nfs/dbraw/zinc/97/35/42/503973542.db2.gz XARWIAUFNQWGOE-NRFANRHFSA-N 2 0 352.526 3.334 20 0 FGADRP CN(C)CC[NH+]1CCC(C[NH2+][C@H]2CCc3cc(F)c(Cl)cc32)CC1 ZINC000527860811 503975890 /nfs/dbraw/zinc/97/58/90/503975890.db2.gz YHYFNUFBVPPKOE-IBGZPJMESA-N 2 0 353.913 3.330 20 0 FGADRP C[C@@H]([NH2+]Cc1cccc(OCC[N@H+](C)C2CCOCC2)c1)[C@@H]1CC12CC2 ZINC000527859862 503976145 /nfs/dbraw/zinc/97/61/45/503976145.db2.gz RMOXCCYWRYQMQR-UTKZUKDTSA-N 2 0 358.526 3.454 20 0 FGADRP CC[N@H+](C)[C@@H](C(=O)NC[C@H](C)[NH+](C)Cc1ccccc1)c1ccccc1 ZINC000518438129 503984007 /nfs/dbraw/zinc/98/40/07/503984007.db2.gz MIUVVHNKIMBMAG-GHTZIAJQSA-N 2 0 353.510 3.316 20 0 FGADRP C[NH+](C)CCOC1CC[NH+](Cc2ccc(OCc3ccncc3)cc2)CC1 ZINC000537631763 503984885 /nfs/dbraw/zinc/98/48/85/503984885.db2.gz VSVKPUMZDUOINQ-UHFFFAOYSA-N 2 0 369.509 3.203 20 0 FGADRP C/C(=C/c1ccccc1OC(F)F)C[NH2+]CCCC[NH+]1CCN(C)CC1 ZINC000518445599 503987421 /nfs/dbraw/zinc/98/74/21/503987421.db2.gz RRESQQCFQNATIE-ICFOKQHNSA-N 2 0 367.484 3.309 20 0 FGADRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCCC[NH+]2CCCC[C@@H]2C)C1 ZINC000518460442 503992124 /nfs/dbraw/zinc/99/21/24/503992124.db2.gz DIXSORFAXOJXJX-MSOLQXFVSA-N 2 0 352.567 3.061 20 0 FGADRP CC(C)[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCCCN2Cc2ccc(F)cc2)C1 ZINC000530623929 504030040 /nfs/dbraw/zinc/03/00/40/504030040.db2.gz XYEMPYJLJQCKMD-UYAOXDASSA-N 2 0 361.505 3.027 20 0 FGADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)[C@H]1C[C@@H]1c1ccc(Cl)cc1Cl ZINC000530642145 504036464 /nfs/dbraw/zinc/03/64/64/504036464.db2.gz UJZZNVGXFQXVGG-CVEARBPZSA-N 2 0 372.340 3.049 20 0 FGADRP COCCOc1ccc([C@@H](C)[NH2+]C[C@H]2CCN2C2CCCC2)cc1OC ZINC000528015428 504040318 /nfs/dbraw/zinc/04/03/18/504040318.db2.gz XKJOPUAIBMJHRA-VQIMIIECSA-N 2 0 362.514 3.388 20 0 FGADRP Cc1ccc(C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)c(Cl)c1C ZINC000541233511 504053154 /nfs/dbraw/zinc/05/31/54/504053154.db2.gz IJIFHSWGUBYVKL-UHFFFAOYSA-N 2 0 353.938 3.302 20 0 FGADRP CC(C)C[C@H](C)[NH2+][C@H](C)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000537949244 504093333 /nfs/dbraw/zinc/09/33/33/504093333.db2.gz XSRYYXLVHPAEJB-DLBZAZTESA-N 2 0 369.575 3.002 20 0 FGADRP CC[N@H+](C)Cc1cccc(CNC(=O)NC[C@@H]2CC[NH+]2C2CCCCC2)c1 ZINC000528150672 504093625 /nfs/dbraw/zinc/09/36/25/504093625.db2.gz SELVFBABDWTYOX-NRFANRHFSA-N 2 0 372.557 3.345 20 0 FGADRP C[C@@H]1CC[C@H]([NH2+]Cc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)[C@H](C)C1 ZINC000544381942 504110783 /nfs/dbraw/zinc/11/07/83/504110783.db2.gz LFCOIDFMGXIUSX-OPYAIIAOSA-N 2 0 357.542 3.427 20 0 FGADRP CC[NH+](CC)CCN(Cc1ccccc1)C(=O)NCC[N@@H+]1CCC[C@H](C)C1 ZINC000519017771 504120036 /nfs/dbraw/zinc/12/00/36/504120036.db2.gz LQHNWGKUVRLYNN-FQEVSTJZSA-N 2 0 374.573 3.272 20 0 FGADRP C[C@H](C[NH+]1CC[C@@H](C2CCOCC2)C1)C[N@@H+]1CC[C@H](C2CCOCC2)C1 ZINC000534380915 504125935 /nfs/dbraw/zinc/12/59/35/504125935.db2.gz UKDUIEPIPNKAEV-RGPKIKJVSA-N 2 0 364.574 3.120 20 0 FGADRP CCC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)NC[C@H]1CC[NH+](C(C)C)C1 ZINC000528268358 504139039 /nfs/dbraw/zinc/13/90/39/504139039.db2.gz SKTBRRKSYLXSRT-YPAWHYETSA-N 2 0 371.569 3.381 20 0 FGADRP CC(C)[C@H](CNC(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)[NH+]1CCCC1 ZINC000519178078 504159209 /nfs/dbraw/zinc/15/92/09/504159209.db2.gz ZBJPBWGIZONVOO-RTWAWAEBSA-N 2 0 372.557 3.071 20 0 FGADRP C[C@@H](CNC(=O)NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1)[NH+](C)C1CC1 ZINC000519204727 504165226 /nfs/dbraw/zinc/16/52/26/504165226.db2.gz AFLJWNWGADLKSO-ROUUACIJSA-N 2 0 372.557 3.343 20 0 FGADRP CC[NH+](CC)CC1CC[NH+]([C@@H](C)C(=O)N(C)Cc2cccc(F)c2)CC1 ZINC000519225144 504169531 /nfs/dbraw/zinc/16/95/31/504169531.db2.gz WDDUVMSEKFSQDU-KRWDZBQOSA-N 2 0 363.521 3.226 20 0 FGADRP C[C@@H]([NH2+]Cc1cc(C(F)(F)F)ccc1N1CC[NH+](C)CC1)[C@H]1CCCO1 ZINC000541544088 504172083 /nfs/dbraw/zinc/17/20/83/504172083.db2.gz RHBCWZHCFCEVQD-RDTXWAMCSA-N 2 0 371.447 3.114 20 0 FGADRP Cc1ccc([C@@H](CNC(=O)NC[C@H](c2ccccc2)[NH+](C)C)[NH+](C)C)cc1 ZINC000519295015 504186022 /nfs/dbraw/zinc/18/60/22/504186022.db2.gz AQRLUXPUULACPN-NHCUHLMSSA-N 2 0 368.525 3.200 20 0 FGADRP C[C@H](C[NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1)Cc1ccccc1 ZINC000541587894 504188915 /nfs/dbraw/zinc/18/89/15/504188915.db2.gz WTNPLGGTXKGIAO-SFHVURJKSA-N 2 0 359.558 3.082 20 0 FGADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000531136045 504199610 /nfs/dbraw/zinc/19/96/10/504199610.db2.gz CCFCRFLPOLGOBA-HXUWFJFHSA-N 2 0 366.509 3.302 20 0 FGADRP C[C@@H]1C[N@@H+](CCC2CC[NH+](Cc3cc(CO)ccc3F)CC2)C[C@H](C)O1 ZINC000528395360 504204403 /nfs/dbraw/zinc/20/44/03/504204403.db2.gz KIEWZLVVXPYADV-CALCHBBNSA-N 2 0 364.505 3.029 20 0 FGADRP CC[NH+]1CCN(c2cccc(NC(=O)CC[N@H+](C)C3CCCCC3)c2)CC1 ZINC000547736738 504205153 /nfs/dbraw/zinc/20/51/53/504205153.db2.gz KTLRRKHPBRZXMC-UHFFFAOYSA-N 2 0 372.557 3.422 20 0 FGADRP COc1ccc(C[NH+](C)C)cc1NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000531147519 504206919 /nfs/dbraw/zinc/20/69/19/504206919.db2.gz RYNAKEYCBIPIAN-KRWDZBQOSA-N 2 0 359.514 3.350 20 0 FGADRP CN(C)[C@H](C(=O)N1CCCN(Cc2ccc(F)cc2)CC1)c1ccccc1 ZINC000519410827 504214688 /nfs/dbraw/zinc/21/46/88/504214688.db2.gz QCWNQZQSPGKYIN-NRFANRHFSA-N 2 0 369.484 3.163 20 0 FGADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000544703679 504226978 /nfs/dbraw/zinc/22/69/78/504226978.db2.gz ZRZVMSVELFMITE-UHFFFAOYSA-N 2 0 374.573 3.448 20 0 FGADRP C[C@@H]1CCN(C(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)C[C@@H]1C[NH3+] ZINC000519529663 504241780 /nfs/dbraw/zinc/24/17/80/504241780.db2.gz IKNDVKUTRWMLOL-NQIIRXRSSA-N 2 0 372.557 3.189 20 0 FGADRP CC[NH+](CC)C[C@@H](C)NC(=O)N1CCC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000531246353 504242122 /nfs/dbraw/zinc/24/21/22/504242122.db2.gz QBXPCVGZZPYFAB-RTBURBONSA-N 2 0 360.546 3.023 20 0 FGADRP CC(C)C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)NC[C@@H]1CCC[NH+](C)C1 ZINC000528485515 504243478 /nfs/dbraw/zinc/24/34/78/504243478.db2.gz LCEHGFZGWDSIPE-BHDDXSALSA-N 2 0 371.569 3.239 20 0 FGADRP CC[C@@H](C(=O)NC[C@@H](c1ccc(SC)cc1)[NH+](C)C)[NH+](CC)CC ZINC000519532162 504243609 /nfs/dbraw/zinc/24/36/09/504243609.db2.gz HODHWZSBWBFNTP-ROUUACIJSA-N 2 0 351.560 3.248 20 0 FGADRP CC[N@H+](C)C[C@@H](O)CN[C@@H](Cc1ccccc1)c1nc2ccccc2s1 ZINC000519539631 504245854 /nfs/dbraw/zinc/24/58/54/504245854.db2.gz CHXRJOLDUYRIHY-HKUYNNGSSA-N 2 0 369.534 3.482 20 0 FGADRP CC(C)(C)[N@@H+]1CCCN(C(=O)c2ccc(Nc3cc[nH+]cc3)cc2)CC1 ZINC000531290711 504254258 /nfs/dbraw/zinc/25/42/58/504254258.db2.gz UKAGOIYGBRGLOC-UHFFFAOYSA-N 2 0 352.482 3.194 20 0 FGADRP C[NH+]1CCC(O)(C[NH2+][C@@H](Cc2cccnc2)c2ccc(Cl)cc2)CC1 ZINC000544825650 504271034 /nfs/dbraw/zinc/27/10/34/504271034.db2.gz LOIHHCZNCVEVOR-IBGZPJMESA-N 2 0 359.901 3.065 20 0 FGADRP Cc1cc(NC(=O)NC[C@@H]2CCC[N@H+](C)C2)cnc1N1CCCC[C@@H]1C ZINC000541878196 504286338 /nfs/dbraw/zinc/28/63/38/504286338.db2.gz ZYGZONUPIKSRBR-IRXDYDNUSA-N 2 0 359.518 3.232 20 0 FGADRP COC(=O)c1cc2c(o1)c(OC)ccc2C[NH2+][C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000531391891 504291680 /nfs/dbraw/zinc/29/16/80/504291680.db2.gz ZBBZXNIPAJUSEI-GJZGRUSLSA-N 2 0 360.454 3.190 20 0 FGADRP Cc1noc(CCC[NH+]2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)n1 ZINC000534963454 504295115 /nfs/dbraw/zinc/29/51/15/504295115.db2.gz BCEONEYCOVHYJY-UHFFFAOYSA-N 2 0 354.498 3.299 20 0 FGADRP Cc1cc(C[NH2+]Cc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)c(C)s1 ZINC000531611875 504363504 /nfs/dbraw/zinc/36/35/04/504363504.db2.gz CFHSEALUQALHOE-IBGZPJMESA-N 2 0 371.550 3.352 20 0 FGADRP C[C@@H](CC[NH+](C)C)NC(=O)Nc1cccc(CC[NH+]2CCC(C)CC2)c1 ZINC000538773706 504364548 /nfs/dbraw/zinc/36/45/48/504364548.db2.gz ASEGCRWBCLEXQI-SFHVURJKSA-N 2 0 360.546 3.423 20 0 FGADRP C[C@H]1O[C@@H](C)[C@@H]([NH2+]Cc2ccccc2C[NH2+][C@H]2[C@@H](C)O[C@@H](C)[C@H]2C)[C@H]1C ZINC000528767394 504371218 /nfs/dbraw/zinc/37/12/18/504371218.db2.gz TYWPFDHAHQILCF-MBFGVPMJSA-N 2 0 360.542 3.490 20 0 FGADRP CC[N@H+](C)Cc1cccc(CNC(=O)NC[C@@H](C)[NH+]2CCCC[C@H]2C)c1 ZINC000519934170 504387610 /nfs/dbraw/zinc/38/76/10/504387610.db2.gz XKLSQLMGVYXMBO-QZTJIDSGSA-N 2 0 360.546 3.200 20 0 FGADRP COc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]CCC[N@H+](C)C(C)C ZINC000531689058 504393902 /nfs/dbraw/zinc/39/39/02/504393902.db2.gz HERVOJZAPVGVNQ-CQSZACIVSA-N 2 0 355.910 3.386 20 0 FGADRP C[NH+]1CCN(c2ncccc2C[NH2+][C@H]2CCc3c2cccc3Cl)CC1 ZINC000531697379 504396216 /nfs/dbraw/zinc/39/62/16/504396216.db2.gz YGRXLULEBZPVES-IBGZPJMESA-N 2 0 356.901 3.264 20 0 FGADRP CC[NH+](CC)C[C@@H](C)NC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000520004721 504397388 /nfs/dbraw/zinc/39/73/88/504397388.db2.gz YMWWPDSULNQECA-GOSISDBHSA-N 2 0 360.546 3.202 20 0 FGADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000520185715 504430582 /nfs/dbraw/zinc/43/05/82/504430582.db2.gz WEASFEAPMBWHLV-DYXWJJEUSA-N 2 0 357.542 3.135 20 0 FGADRP CC[N@H+](Cc1ccc(C(=O)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc1)C1CC1 ZINC000520226419 504440736 /nfs/dbraw/zinc/44/07/36/504440736.db2.gz QNPKFIPBRAHSMT-PMACEKPBSA-N 2 0 355.526 3.133 20 0 FGADRP C[C@@H](CNC(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1)[NH+](C)Cc1ccccc1 ZINC000520378583 504482749 /nfs/dbraw/zinc/48/27/49/504482749.db2.gz JRPRCORTCBCAJY-UXHICEINSA-N 2 0 374.573 3.318 20 0 FGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]CCCn2ccnc2C)CC1 ZINC000539311177 504525812 /nfs/dbraw/zinc/52/58/12/504525812.db2.gz FRGHXJILUBSTAJ-QGZVFWFLSA-N 2 0 373.520 3.213 20 0 FGADRP CC(C)[N@@H+]1CC[C@H](CNC(=O)N2C[C@@H](C)[NH+](Cc3ccccc3)C[C@H]2C)C1 ZINC000535749659 504529103 /nfs/dbraw/zinc/52/91/03/504529103.db2.gz DGNYETDWKVSMPM-SFHLNBCPSA-N 2 0 372.557 3.021 20 0 FGADRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCC[NH+]2[C@H](C)CCC[C@@H]2C)C1 ZINC000520756144 504574974 /nfs/dbraw/zinc/57/49/74/504574974.db2.gz FCUMQOPHXSNHJR-KURKYZTESA-N 2 0 352.567 3.059 20 0 FGADRP C[N@@H+]1CC[C@H](C(=O)N2CC(C)(C)[C@@H]2C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000520971094 504618406 /nfs/dbraw/zinc/61/84/06/504618406.db2.gz BUBCMRQHAKEZII-SFTDATJTSA-N 2 0 369.553 3.087 20 0 FGADRP C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)N[C@H]3CC[NH2+]C34CCC4)cc2)C1 ZINC000529290645 504621851 /nfs/dbraw/zinc/62/18/51/504621851.db2.gz UJBRJIVYRJXHGC-XLIONFOSSA-N 2 0 370.541 3.002 20 0 FGADRP CC[NH+](CC)CC(=O)N(CC[NH+]1CCCC1)Cc1ccc(Cl)cc1 ZINC000521136516 504658539 /nfs/dbraw/zinc/65/85/39/504658539.db2.gz LCJUGYUASJZNLX-UHFFFAOYSA-N 2 0 351.922 3.106 20 0 FGADRP C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]CCN1CCC[C@H](C)C1 ZINC000532458341 504658669 /nfs/dbraw/zinc/65/86/69/504658669.db2.gz JTLDIPIQZHQCGG-DLBZAZTESA-N 2 0 365.949 3.399 20 0 FGADRP C[C@H]([NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1)C1CC(F)(F)C1 ZINC000529539089 504721013 /nfs/dbraw/zinc/72/10/13/504721013.db2.gz PLXQETNHMNXHRX-HNNXBMFYSA-N 2 0 365.468 3.036 20 0 FGADRP C[N@H+](CCNCc1c(Cl)cccc1N1CC[NH+](C)CC1)C1CCCC1 ZINC000539954332 504747037 /nfs/dbraw/zinc/74/70/37/504747037.db2.gz CEHZKWHWPZLANO-UHFFFAOYSA-N 2 0 364.965 3.056 20 0 FGADRP C[NH+](C)C1(CNC(=O)[C@@H]2CCC[N@H+](Cc3cccc(F)c3)C2)CCCC1 ZINC000521593334 504761972 /nfs/dbraw/zinc/76/19/72/504761972.db2.gz YPSRWOBJNVCGDE-GOSISDBHSA-N 2 0 361.505 3.028 20 0 FGADRP C[C@H](NC(=O)NC(C)(C)C[N@H+](C)Cc1ccccc1)C(C)(C)C[NH+](C)C ZINC000532842177 504766121 /nfs/dbraw/zinc/76/61/21/504766121.db2.gz HUFLRRWIPBOYFI-KRWDZBQOSA-N 2 0 362.562 3.173 20 0 FGADRP CC(C)Oc1ccc([C@@H](C)[NH2+][C@H](C)CN2CC[NH+](C)CC2)cc1Cl ZINC000565121155 504800200 /nfs/dbraw/zinc/80/02/00/504800200.db2.gz RFZUNWQOHNYZLZ-HZPDHXFCSA-N 2 0 353.938 3.414 20 0 FGADRP Cc1cnn(CCCCC[NH+]2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c1 ZINC000565144844 504807163 /nfs/dbraw/zinc/80/71/63/504807163.db2.gz FOJMLHOTRQWKBK-BGYRXZFFSA-N 2 0 362.562 3.183 20 0 FGADRP Cc1cnn(CCCCC[NH+]2CCC(C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)c1 ZINC000565144893 504807460 /nfs/dbraw/zinc/80/74/60/504807460.db2.gz FOJMLHOTRQWKBK-PMACEKPBSA-N 2 0 362.562 3.183 20 0 FGADRP C[C@@H]([NH2+]Cc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1)C(C)(C)n1cncn1 ZINC000556234659 504825269 /nfs/dbraw/zinc/82/52/69/504825269.db2.gz WLKZSPBRQKQNDA-QZTJIDSGSA-N 2 0 355.530 3.423 20 0 FGADRP C[C@@H]1C[C@@H](NC(=O)NCC2CC[NH+](Cc3cccs3)CC2)c2nccn21 ZINC000562587116 504869545 /nfs/dbraw/zinc/86/95/45/504869545.db2.gz SGHCKAIPGPUHTD-RHSMWYFYSA-N 2 0 373.526 3.162 20 0 FGADRP CCC[NH+]1CCC(C[NH2+]C[C@@H](O)COc2cc(C)ccc2Cl)CC1 ZINC000565476805 504898800 /nfs/dbraw/zinc/89/88/00/504898800.db2.gz VJFHDNJFFCMBHL-QGZVFWFLSA-N 2 0 354.922 3.100 20 0 FGADRP CC[C@H]1C[N@H+](C)CCN1C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000556570157 504906559 /nfs/dbraw/zinc/90/65/59/504906559.db2.gz CZKCWSUGBLGDMQ-FQEVSTJZSA-N 2 0 358.530 3.273 20 0 FGADRP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@H]2[NH2+]C1(c2ccc3c(c2)OCO3)CC1 ZINC000565533625 504915294 /nfs/dbraw/zinc/91/52/94/504915294.db2.gz FPMKWESFTYRWJV-DYESRHJHSA-N 2 0 364.445 3.250 20 0 FGADRP C[C@@H]1C[C@H](NC(=O)Nc2cccc3c2CC[NH2+]C3)C[N@@H+]1Cc1ccccc1 ZINC000562767650 504938880 /nfs/dbraw/zinc/93/88/80/504938880.db2.gz LGIBUMMJVGBOPZ-APWZRJJASA-N 2 0 364.493 3.117 20 0 FGADRP CC[NH+](CC)[C@H](C(=O)N1CC[N@@H+](C2CCC2)C[C@H](C)C1)c1ccccc1 ZINC000553528553 504941717 /nfs/dbraw/zinc/94/17/17/504941717.db2.gz QVNZDCXNFSFEMH-RXVVDRJESA-N 2 0 357.542 3.402 20 0 FGADRP O=C(c1ccc(C[NH+]2CCCCC2)cc1)N1CC[NH+](C2CCCC2)CC1 ZINC000559967860 504960603 /nfs/dbraw/zinc/96/06/03/504960603.db2.gz SWJRJZVIJBMKPT-UHFFFAOYSA-N 2 0 355.526 3.373 20 0 FGADRP C/C(=C\c1cccc(C(F)(F)F)c1)C[NH2+]C[C@@H](C)N1CC[NH+](C)CC1 ZINC000565739058 504973252 /nfs/dbraw/zinc/97/32/52/504973252.db2.gz XHOUSJWOEILYFT-RBFDBLARSA-N 2 0 355.448 3.334 20 0 FGADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@]1(C)CCN(Cc2ccccc2)C1 ZINC000565778444 504984429 /nfs/dbraw/zinc/98/44/29/504984429.db2.gz LJQXDAFVVWGKLD-JOCHJYFZSA-N 3 0 361.493 3.330 20 0 FGADRP C[N@@H+]1CC[C@H]([NH2+]C2CCN(Cc3ccc(F)c(F)c3)CC2)[C@@H]2CCC[C@@H]21 ZINC000556862784 504998960 /nfs/dbraw/zinc/99/89/60/504998960.db2.gz ALSVUGNJYWYESK-YYWHXJBOSA-N 2 0 363.496 3.392 20 0 FGADRP CN(C)[C@@]1(C[NH2+]C2CCC([N@H+](C)Cc3ccccc3)CC2)CCSC1 ZINC000556870003 505000970 /nfs/dbraw/zinc/00/09/70/505000970.db2.gz BAKSWUKHEAZIPK-XVAXZDLZSA-N 3 0 361.599 3.457 20 0 FGADRP Brc1cccc2c(C[NH2+][C@@H]3CCc4nc[nH]c4C3)ccnc12 ZINC000560146099 505003961 /nfs/dbraw/zinc/00/39/61/505003961.db2.gz DVRPEQKMRDTJBF-GFCCVEGCSA-N 2 0 357.255 3.368 20 0 FGADRP C[C@@H]([NH2+]Cc1nnc(C2CC[NH2+]CC2)[nH]1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000562981103 505008525 /nfs/dbraw/zinc/00/85/25/505008525.db2.gz XXWRRIWZGAHOPR-KGYLQXTDSA-N 2 0 365.934 3.268 20 0 FGADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2cn(-c3ccccc3)nc2C)C1 ZINC000556925966 505019383 /nfs/dbraw/zinc/01/93/83/505019383.db2.gz PSPFFCCTTDAJKH-NRFANRHFSA-N 2 0 356.514 3.113 20 0 FGADRP C[NH+](C)CCOc1ccc(NC(=O)C[C@H]2CCCC[C@@H]2[NH3+])cc1Cl ZINC000563082602 505041936 /nfs/dbraw/zinc/04/19/36/505041936.db2.gz HBHNEYMCBZMHCA-CJNGLKHVSA-N 2 0 353.894 3.127 20 0 FGADRP C[NH2+]Cc1cccc(NC(=O)NC[C@H](c2ccc(Cl)cc2)[NH+](C)C)c1 ZINC000557044507 505052303 /nfs/dbraw/zinc/05/23/03/505052303.db2.gz XIQPWIAPDSNNJD-GOSISDBHSA-N 2 0 360.889 3.484 20 0 FGADRP [NH3+][C@H]1CCC[C@@H](CNC(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)C1 ZINC000566056235 505067962 /nfs/dbraw/zinc/06/79/62/505067962.db2.gz CZZKXWIZQXIMKG-MOPGFXCFSA-N 2 0 358.530 3.354 20 0 FGADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H]2CCc3sc(Br)cc32)CC1 ZINC000550623438 505075239 /nfs/dbraw/zinc/07/52/39/505075239.db2.gz YEYWMZGCDKLYEJ-OCCSQVGLSA-N 2 0 372.376 3.114 20 0 FGADRP Cc1nc2ccccc2n1CC[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000566089579 505076963 /nfs/dbraw/zinc/07/69/63/505076963.db2.gz RRXSIHZGIYQBDN-SIKLNZKXSA-N 2 0 362.477 3.190 20 0 FGADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000566089292 505077546 /nfs/dbraw/zinc/07/75/46/505077546.db2.gz UCRFYRDURFLTIL-SUHUHFCYSA-N 2 0 362.827 3.050 20 0 FGADRP c1cnc(N2CC[NH+](CCCC[NH2+][C@H]3CCCCC34CCCC4)CC2)nc1 ZINC000550644015 505078059 /nfs/dbraw/zinc/07/80/59/505078059.db2.gz JQLRXFSGXJMUSM-FQEVSTJZSA-N 2 0 371.573 3.471 20 0 FGADRP C[C@@H]1CC[C@H]([NH2+]Cc2ccc(OCCC[NH+](C)C)cc2)[C@@H](n2cncn2)C1 ZINC000550646190 505078790 /nfs/dbraw/zinc/07/87/90/505078790.db2.gz ZWZRVSUQMDRBNJ-QMMLZNLJSA-N 2 0 371.529 3.128 20 0 FGADRP COc1cc([C@@H](C)[NH2+]CCc2ccc(OCC[NH+](C)C)cc2)c(F)cn1 ZINC000554071153 505080743 /nfs/dbraw/zinc/08/07/43/505080743.db2.gz HFACENLIWLKDOH-OAHLLOKOSA-N 2 0 361.461 3.063 20 0 FGADRP C[NH+](C)CC1CCC([NH2+]C[C@H](O)COc2cccc3ccccc32)CC1 ZINC000566115892 505086553 /nfs/dbraw/zinc/08/65/53/505086553.db2.gz SYSGEOODAQSIKR-UUKMXZOPSA-N 2 0 356.510 3.290 20 0 FGADRP C/C(=C/c1ccccc1OC(F)F)C[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000563261269 505090367 /nfs/dbraw/zinc/09/03/67/505090367.db2.gz CIBDSRNFHVFVIB-PEZBUJJGSA-N 2 0 367.484 3.307 20 0 FGADRP CCO[C@H]1C[C@]([NH3+])(C(=O)Nc2ccc3c(c2)nc(C(C)(C)C)n3C)C1(C)C ZINC000566191854 505108544 /nfs/dbraw/zinc/10/85/44/505108544.db2.gz XHVRCUWXAJQDQS-KKSFZXQISA-N 2 0 372.513 3.342 20 0 FGADRP COc1ccc(Cl)cc1N1CC[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)C1 ZINC000560525940 505114501 /nfs/dbraw/zinc/11/45/01/505114501.db2.gz BGNXSYNLMYNZNP-WNRNVDISSA-N 2 0 363.933 3.390 20 0 FGADRP O[C@]1(C[NH2+][C@@H]2CCCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CCSC1 ZINC000560528777 505116196 /nfs/dbraw/zinc/11/61/96/505116196.db2.gz KRZVHVRTFMGRMF-BURNTYAHSA-N 2 0 360.567 3.135 20 0 FGADRP COc1cc(C[NH2+]C2CCC([NH+](C)C)CC2)cc(Br)c1O ZINC000560529575 505116512 /nfs/dbraw/zinc/11/65/12/505116512.db2.gz VGLOQRUSKMWMCV-UHFFFAOYSA-N 2 0 357.292 3.126 20 0 FGADRP C[N@@H+]1CC[C@H]([NH2+]C[C@H](CO)Cc2ccc(C(F)(F)F)cc2)[C@@H]2CCC[C@H]21 ZINC000560544438 505120976 /nfs/dbraw/zinc/12/09/76/505120976.db2.gz QRHPUPZTDHOHCM-XGXHKWSGSA-N 2 0 370.459 3.319 20 0 FGADRP C[N@@H+]1CC[C@H]([NH2+]CCCc2nc(-c3ccc(F)cc3)no2)[C@@H]2CCC[C@H]21 ZINC000560548167 505122976 /nfs/dbraw/zinc/12/29/76/505122976.db2.gz AIJFTHNHXIANSX-OKZBNKHCSA-N 2 0 358.461 3.271 20 0 FGADRP C[C@H]1CCC[N@H+](CCCCNC(=O)[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000557419540 505130014 /nfs/dbraw/zinc/13/00/14/505130014.db2.gz MMMHXKGDLLUOIA-PZJWPPBQSA-N 2 0 357.542 3.137 20 0 FGADRP CC(C)(C)[C@@H]1NC(=O)CC[C@H]1[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000560575907 505130967 /nfs/dbraw/zinc/13/09/67/505130967.db2.gz UAKGMNAEUOYOLS-AIYVTKCESA-N 2 0 369.553 3.180 20 0 FGADRP CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC000557476066 505145174 /nfs/dbraw/zinc/14/51/74/505145174.db2.gz DRIHTYNRQFJBRP-UHFFFAOYSA-N 2 0 371.529 3.049 20 0 FGADRP Cc1nn(-c2ccccc2)c(C)c1C[NH+]1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000563460787 505147304 /nfs/dbraw/zinc/14/73/04/505147304.db2.gz RKTAZOXLJXAXNC-VXKWHMMOSA-N 2 0 368.525 3.207 20 0 FGADRP O=C(NCCCCC[NH+]1CCCCC1)N1CCC([NH+]2CCCCC2)CC1 ZINC000563481277 505151498 /nfs/dbraw/zinc/15/14/98/505151498.db2.gz IZJDGTBRMIUEFI-UHFFFAOYSA-N 2 0 364.578 3.303 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1cnc(C(C)(C)C)s1 ZINC000557525404 505156359 /nfs/dbraw/zinc/15/63/59/505156359.db2.gz LTPKLQHOHCWXDL-INIZCTEOSA-N 2 0 352.592 3.289 20 0 FGADRP CC(C)[N@H+](C)CC1CCN(C(=O)N[C@@H]2CC[NH+](C)[C@@H]2c2ccccc2)CC1 ZINC000551111676 505158953 /nfs/dbraw/zinc/15/89/53/505158953.db2.gz NVZBNVNLMWHLGC-NHCUHLMSSA-N 2 0 372.557 3.194 20 0 FGADRP Cc1ccc(CNC(=O)c2cccc(C[NH2+][C@@H]3CCC[C@H]([NH3+])C3)c2)cc1 ZINC000566482268 505186980 /nfs/dbraw/zinc/18/69/80/505186980.db2.gz MAMAZYPHVFTJPE-LEWJYISDSA-N 2 0 351.494 3.285 20 0 FGADRP C[C@H]1CC[N@H+](CC(=O)NCc2ccc(C[NH+]3C[C@H](C)C[C@H](C)C3)cc2)C1 ZINC000554597630 505217049 /nfs/dbraw/zinc/21/70/49/505217049.db2.gz OCPVNYADEVEGSK-GBESFXJTSA-N 2 0 357.542 3.123 20 0 FGADRP CC[NH+](CC)Cc1ccccc1CNC(=O)N1C[C@H]([NH+]2CCCC2)C[C@@H]1C ZINC000557739399 505218549 /nfs/dbraw/zinc/21/85/49/505218549.db2.gz YUOIVLLXBIGPHM-GHTZIAJQSA-N 2 0 372.557 3.297 20 0 FGADRP CC(C)(C)[NH+]1CCC([NH2+]C[C@H](CO)Cc2cc(F)c(F)c(F)c2)CC1 ZINC000563779021 505235992 /nfs/dbraw/zinc/23/59/92/505235992.db2.gz HDNBPNWIDHNEBP-CQSZACIVSA-N 2 0 358.448 3.107 20 0 FGADRP COc1cc(C[NH2+][C@@H](C)C[C@H](C)[NH3+])cc(Br)c1OC(F)F ZINC000563810300 505245502 /nfs/dbraw/zinc/24/55/02/505245502.db2.gz FBDVMRPZNVSUQY-IUCAKERBSA-N 2 0 367.234 3.275 20 0 FGADRP CC[N@@H+]1CCC[C@H](CNCc2ccc(C(=O)OC)cc2Br)C1 ZINC000551547677 505250224 /nfs/dbraw/zinc/25/02/24/505250224.db2.gz SYPBZNJTLCWDGW-CYBMUJFWSA-N 2 0 369.303 3.057 20 0 FGADRP CC(=O)N1C[C@@H]2CCC[C@H]([NH2+][C@H](C)[C@@H]3CC[N@H+](Cc4ccccc4)C3)[C@H]2C1 ZINC000554741827 505253537 /nfs/dbraw/zinc/25/35/37/505253537.db2.gz PHFPGCWDYBMLSX-KJWUJUMESA-N 2 0 369.553 3.134 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)C[NH2+]C2CCN(c3nccs3)CC2)C1 ZINC000557886486 505255570 /nfs/dbraw/zinc/25/55/70/505255570.db2.gz FPNNDOMIYRESTB-IYBDPMFKSA-N 2 0 350.576 3.458 20 0 FGADRP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C[C@@H](c2nccn2C)C(F)(F)F)C1 ZINC000561180191 505273271 /nfs/dbraw/zinc/27/32/71/505273271.db2.gz LQKVEGGULUIPRP-KBPBESRZSA-N 2 0 374.451 3.083 20 0 FGADRP C[C@H]([NH2+]CCC(=O)NC1CCCCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000554856265 505282996 /nfs/dbraw/zinc/28/29/96/505282996.db2.gz NOQJUQQNNYJOPJ-ICSRJNTNSA-N 2 0 357.542 3.326 20 0 FGADRP C[C@H]([NH2+]Cc1cccc(N2CCC2=O)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000554864810 505284467 /nfs/dbraw/zinc/28/44/67/505284467.db2.gz GLBGILBWCVFRRQ-RXVVDRJESA-N 2 0 363.505 3.424 20 0 FGADRP Cc1cc(C[NH+]2CCC(C[NH+]3CCN(C)CC3)CC2)cc2cccnc12 ZINC000554883163 505289218 /nfs/dbraw/zinc/28/92/18/505289218.db2.gz ZSYWIFSZCHEOHJ-UHFFFAOYSA-N 2 0 352.526 3.003 20 0 FGADRP CC[NH+]1CCC(C[NH2+][C@@H](C)CC(=O)N(C)Cc2ccccc2Cl)CC1 ZINC000558062757 505299204 /nfs/dbraw/zinc/29/92/04/505299204.db2.gz CHQMQBXQGGNMMR-INIZCTEOSA-N 2 0 365.949 3.399 20 0 FGADRP [NH3+][C@H]1CCCO[C@@H]1C1CC[NH+](Cc2cc(-c3ccc(F)cc3)no2)CC1 ZINC000561280728 505302979 /nfs/dbraw/zinc/30/29/79/505302979.db2.gz OQMFWUIBTBGDQC-AZUAARDMSA-N 2 0 359.445 3.199 20 0 FGADRP COc1ccc([C@@H](NCC2([NH3+])C3CC4CC(C3)CC2C4)[C@@H]2CCC[NH2+]2)cc1 ZINC000566909088 505308091 /nfs/dbraw/zinc/30/80/91/505308091.db2.gz RCIXOVMOFVVYPX-KVVRTBIRSA-N 2 0 369.553 3.232 20 0 FGADRP CC(C)[C@H](CNC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1)[N@@H+]1CCc2ccccc2C1 ZINC000558146764 505319933 /nfs/dbraw/zinc/31/99/33/505319933.db2.gz NMAHZZYLXGDHMY-YJMBLLCNSA-N 2 0 369.553 3.106 20 0 FGADRP COc1ccc(C[NH+]2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)cc1OC(F)F ZINC000567093959 505362064 /nfs/dbraw/zinc/36/20/64/505362064.db2.gz WOMWNCLMGRVEHF-MAUKXSAKSA-N 2 0 370.440 3.015 20 0 FGADRP CC[N@H+](CCNC(=O)N1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1)C(C)C ZINC000561533891 505371557 /nfs/dbraw/zinc/37/15/57/505371557.db2.gz GXUBXQGUXMVTRB-QFIPXVFZSA-N 2 0 372.557 3.024 20 0 FGADRP C[NH+](C)Cc1ccc(C(=O)N[C@H](C[NH+](C)C)c2ccc(Cl)cc2)cc1 ZINC000555232232 505386436 /nfs/dbraw/zinc/38/64/36/505386436.db2.gz YAVOEAUWKMMJBS-LJQANCHMSA-N 2 0 359.901 3.434 20 0 FGADRP CC(C)[NH+]1CCC(NC(=O)N[C@H](C[NH+](C)C)c2ccc(Cl)cc2)CC1 ZINC000567242990 505405784 /nfs/dbraw/zinc/40/57/84/505405784.db2.gz HQKIQUROUDMXFJ-GOSISDBHSA-N 2 0 366.937 3.115 20 0 FGADRP CSC1(C[NH2+]Cc2cc(O)ccc2Br)CC[NH+](C)CC1 ZINC000564417910 505413754 /nfs/dbraw/zinc/41/37/54/505413754.db2.gz CYLRUXQMJQUTNC-UHFFFAOYSA-N 2 0 359.333 3.072 20 0 FGADRP O=C(c1ccccc1CC1CC[NH2+]CC1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000564454785 505424092 /nfs/dbraw/zinc/42/40/92/505424092.db2.gz ASVUVTSRVQTQRT-UHFFFAOYSA-N 2 0 369.553 3.177 20 0 FGADRP COC(=O)[C@H](C)C[N@H+](Cc1ccccc1)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000564459322 505425525 /nfs/dbraw/zinc/42/55/25/505425525.db2.gz UWCXKRRBWCJTGI-QGZVFWFLSA-N 2 0 352.478 3.144 20 0 FGADRP CCC(CC)(CNC(=O)NCC1CC[NH2+]CC1)[NH2+][C@@H](C)c1ccccc1 ZINC000567362254 505441747 /nfs/dbraw/zinc/44/17/47/505441747.db2.gz YEPLWGIGOLSGJT-KRWDZBQOSA-N 2 0 360.546 3.195 20 0 FGADRP C[NH+]1CCN(c2cc[nH+]cc2N[C@@H]2CCC[C@@H](c3cccnc3)C2)CC1 ZINC000558620856 505442398 /nfs/dbraw/zinc/44/23/98/505442398.db2.gz QYDUMZGYKGVYFG-IEBWSBKVSA-N 2 0 351.498 3.367 20 0 FGADRP [NH3+]CC[C@@H]1CCCN(C(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)C1 ZINC000564548640 505449737 /nfs/dbraw/zinc/44/97/37/505449737.db2.gz JVDHNQYTOPMPAU-FQEVSTJZSA-N 2 0 372.557 3.333 20 0 FGADRP CCCC[N@H+](C)C[C@@H](C)NC(=O)N[C@H]1CC[NH+](Cc2ccccc2)C[C@H]1C ZINC000567410584 505454243 /nfs/dbraw/zinc/45/42/43/505454243.db2.gz XDJVCJDKXICNTF-SBHAEUEKSA-N 2 0 374.573 3.317 20 0 FGADRP COc1ccc(CN2CC[C@]3(C2)CCC[N@H+](C)C3)cc1Br ZINC000555598641 505469061 /nfs/dbraw/zinc/46/90/61/505469061.db2.gz ZRZIKIVUQMVIEM-QGZVFWFLSA-N 2 0 353.304 3.375 20 0 FGADRP [NH3+][C@@H]1CCC[C@@H](CNC(=O)NC[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)C1 ZINC000564644685 505480934 /nfs/dbraw/zinc/48/09/34/505480934.db2.gz VEOQTYCTHHNPLL-QHAWAJNXSA-N 2 0 372.557 3.105 20 0 FGADRP CC[NH+](CC)CCCNC(=O)C1CC[NH+]([C@@H](C)Cc2ccsc2)CC1 ZINC000561971270 505481448 /nfs/dbraw/zinc/48/14/48/505481448.db2.gz KPASSMWVIXKEPR-KRWDZBQOSA-N 2 0 365.587 3.239 20 0 FGADRP CN1CC[NH+](CC2CC[NH+]([C@@H]3CC[C@](C)(c4ccccc4)C3)CC2)CC1 ZINC000561976437 505483194 /nfs/dbraw/zinc/48/31/94/505483194.db2.gz FKAXGDNHVGNWPL-PKTZIBPZSA-N 2 0 355.570 3.456 20 0 FGADRP CN(CC[N@H+](C)Cc1ccc(F)c(C(F)(F)F)c1)C1CC[NH+](C)CC1 ZINC000564718427 505502273 /nfs/dbraw/zinc/50/22/73/505502273.db2.gz DGNOLVCAGWILGB-UHFFFAOYSA-N 2 0 361.427 3.302 20 0 FGADRP O=C(c1ccc(C[NH+]2CCCC2)cc1)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000558828676 505504502 /nfs/dbraw/zinc/50/45/02/505504502.db2.gz IOSXGUZKIFNTEP-OAQYLSRUSA-N 2 0 355.526 3.373 20 0 FGADRP O[C@@H](C[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)Cc1ccccc1 ZINC000562065446 505507964 /nfs/dbraw/zinc/50/79/64/505507964.db2.gz RUOQMTKDVMHWNU-JLLPCOHGSA-N 2 0 364.533 3.480 20 0 FGADRP FC(F)(F)COc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)cn1 ZINC000567641324 505521671 /nfs/dbraw/zinc/52/16/71/505521671.db2.gz VOJJRWWQXCLGJU-BZUAXINKSA-N 2 0 357.420 3.423 20 0 FGADRP C[C@@H](NC(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)cc1)C(C)(C)C[NH+](C)C ZINC000558908676 505527130 /nfs/dbraw/zinc/52/71/30/505527130.db2.gz TWEUNVAHAJHGKO-RHSMWYFYSA-N 2 0 368.953 3.218 20 0 FGADRP Cc1ccc(C(=O)NC2CC[NH+](Cc3ccc4c(c3)C[NH2+]CC4)CC2)s1 ZINC000567741687 505554232 /nfs/dbraw/zinc/55/42/32/505554232.db2.gz AFWCLJVVKXNZRQ-UHFFFAOYSA-N 2 0 369.534 3.097 20 0 FGADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)CC[C@@H]([NH3+])c2ccccc2)C1 ZINC000567772993 505561775 /nfs/dbraw/zinc/56/17/75/505561775.db2.gz RGBWUYZUKGVVQT-DUXKGJEZSA-N 2 0 351.494 3.418 20 0 FGADRP Cc1cc(NC(=O)c2ccc(C[NH3+])cc2)cc(N2CC[NH+](C(C)C)CC2)c1 ZINC000564941101 505561838 /nfs/dbraw/zinc/56/18/38/505561838.db2.gz ZJDNEAFBWZPFQU-UHFFFAOYSA-N 2 0 366.509 3.236 20 0 FGADRP C[C@H](NC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1)c1cccc2ccccc21 ZINC000564987705 505565521 /nfs/dbraw/zinc/56/55/21/505565521.db2.gz GJQTZXXEFFQYFV-LPMPVVGESA-N 2 0 365.521 3.465 20 0 FGADRP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)[C@H]3CCCC[N@@H+]3C)cc2)C1 ZINC000599312385 506407901 /nfs/dbraw/zinc/40/79/01/506407901.db2.gz JIHFDNXNGTXPOX-DBXWQHBBSA-N 2 0 357.542 3.265 20 0 FGADRP Fc1ccc([C@@H]2OCC[C@H]2[NH2+]Cc2cc(C3CC[NH2+]CC3)no2)cc1F ZINC000582959141 506510019 /nfs/dbraw/zinc/51/00/19/506510019.db2.gz SRGGALBNCNKXRR-MJGOQNOKSA-N 2 0 363.408 3.040 20 0 FGADRP Fc1ccc([C@H]2OCC[C@H]2[NH2+]Cc2cc(C3CC[NH2+]CC3)no2)cc1F ZINC000582959140 506510853 /nfs/dbraw/zinc/51/08/53/506510853.db2.gz SRGGALBNCNKXRR-IEBWSBKVSA-N 2 0 363.408 3.040 20 0 FGADRP CCOC(=O)C1([C@@H](C)[NH2+]Cc2cc(Cl)cc(Cl)c2)CC[NH2+]CC1 ZINC000596652618 506513050 /nfs/dbraw/zinc/51/30/50/506513050.db2.gz VZIQHMKJPMPVSI-GFCCVEGCSA-N 2 0 359.297 3.404 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N1CCC[C@@H]([NH+]2CCCC2)C1)CC(C)C ZINC000612338012 506534699 /nfs/dbraw/zinc/53/46/99/506534699.db2.gz UXTQXFKQONYJEA-MOPGFXCFSA-N 2 0 352.567 3.013 20 0 FGADRP C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)[C@@H]2CCc3nc[nH]c3C2)CC1 ZINC000612469944 506590295 /nfs/dbraw/zinc/59/02/95/506590295.db2.gz JDCTXTKDFCUUQL-FUHWJXTLSA-N 2 0 358.530 3.018 20 0 FGADRP C(=C\C[NH+]1CCC(OCC2CC2)CC1)\C[NH+]1CCC(OCC2CC2)CC1 ZINC000608578118 506610891 /nfs/dbraw/zinc/61/08/91/506610891.db2.gz CQGMPXMLIAARLU-UPHRSURJSA-N 2 0 362.558 3.325 20 0 FGADRP C[N@@H+]1CCN(CCC[NH2+]Cc2[nH]nc3ccccc32)[C@H](c2ccccc2)C1 ZINC000589639580 506614838 /nfs/dbraw/zinc/61/48/38/506614838.db2.gz OGWDVXWEQYNOCD-QFIPXVFZSA-N 2 0 363.509 3.031 20 0 FGADRP Cc1nc(C(C)C)ccc1C[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000583157445 506621050 /nfs/dbraw/zinc/62/10/50/506621050.db2.gz VSKKINJWAOUDLJ-UHFFFAOYSA-N 2 0 358.574 3.363 20 0 FGADRP CC[NH+](CC)C[C@H](C)NC(=O)N1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000589770609 506646252 /nfs/dbraw/zinc/64/62/52/506646252.db2.gz BJSMNKOOPULENL-IBGZPJMESA-N 2 0 374.573 3.270 20 0 FGADRP CC[NH+](CC)[C@@H]1CCN(C(=O)N[C@H](C[NH+]2CCCCC2)c2ccccc2)C1 ZINC000608685391 506666028 /nfs/dbraw/zinc/66/60/28/506666028.db2.gz PYQHTRLXMWDFKU-NHCUHLMSSA-N 2 0 372.557 3.339 20 0 FGADRP CCc1ccc([C@H]2C[NH2+]CCN2C(=O)CC[C@H]([NH3+])c2ccccc2)cc1 ZINC000583311692 506710749 /nfs/dbraw/zinc/71/07/49/506710749.db2.gz GBLREYLRYPNJJO-LEWJYISDSA-N 2 0 351.494 3.202 20 0 FGADRP C[C@H]1CCCC[N@@H+]1CCNC(=O)N[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000590078971 506727994 /nfs/dbraw/zinc/72/79/94/506727994.db2.gz MJJHOAANWVNUTN-PZJWPPBQSA-N 2 0 372.557 3.387 20 0 FGADRP Cc1cccc(CN(CC[NH+](C)C)C(=O)NC[C@@H](C)[N@@H+]2CCCC[C@@H]2C)c1 ZINC000604171467 506734354 /nfs/dbraw/zinc/73/43/54/506734354.db2.gz NUINIBVQJFKXDR-VQTJNVASSA-N 2 0 374.573 3.331 20 0 FGADRP C[C@@H](CNC(=O)N[C@@H](C[NH+]1CCCCC1)c1ccccc1)C[NH+]1CCCC1 ZINC000604177206 506737707 /nfs/dbraw/zinc/73/77/07/506737707.db2.gz ZSGLEWRRLJZJGM-FPOVZHCZSA-N 2 0 372.557 3.245 20 0 FGADRP CC(C)CN(Cc1ccccc1)C(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000604208350 506752974 /nfs/dbraw/zinc/75/29/74/506752974.db2.gz GSSRABIYGWBILM-HXUWFJFHSA-N 2 0 372.557 3.023 20 0 FGADRP COC(=O)c1ccc2c(c1)[C@@H](C[NH2+]C1CC[NH+](CC3CC3)CC1)CCC2 ZINC000597202379 506832832 /nfs/dbraw/zinc/83/28/32/506832832.db2.gz ZASGVUDAEACAQK-LJQANCHMSA-N 2 0 356.510 3.357 20 0 FGADRP CC[N@H+](CCNC(=O)NC[C@H]1CCC[NH+]1CC1CCCCC1)C(C)C ZINC000597216974 506842095 /nfs/dbraw/zinc/84/20/95/506842095.db2.gz XRZVFEUKGSBDSZ-LJQANCHMSA-N 2 0 352.567 3.061 20 0 FGADRP O=C(NCc1ccc(C[NH+]2CCCCCC2)cc1)N[C@H]1CC12CC[NH2+]CC2 ZINC000612972334 506846623 /nfs/dbraw/zinc/84/66/23/506846623.db2.gz XEPYKALSEOBCPM-FQEVSTJZSA-N 2 0 370.541 3.004 20 0 FGADRP CC(C)C[C@H](CNC(=O)N[C@H]1CC12CC[NH2+]CC2)[NH2+][C@H](C)c1ccccc1 ZINC000612977727 506848121 /nfs/dbraw/zinc/84/81/21/506848121.db2.gz PNISTXKERRESBC-RLLQIKCJSA-N 2 0 372.557 3.193 20 0 FGADRP C[C@@H](NC(=O)[C@H](C)[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)c1ccc2c(c1)CCCC2 ZINC000583565150 506852807 /nfs/dbraw/zinc/85/28/07/506852807.db2.gz SJEAYWKSAJPRDV-XQTRSNPVSA-N 2 0 369.553 3.063 20 0 FGADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]C[C@@H](CO)c1ccccc1Cl ZINC000583656394 506896817 /nfs/dbraw/zinc/89/68/17/506896817.db2.gz ROVAWROISUITNR-INIZCTEOSA-N 2 0 356.857 3.095 20 0 FGADRP C[NH+](C)Cc1ccc(C[NH2+]C[C@H](O)COc2ccccc2Cl)cc1F ZINC000583747765 506952186 /nfs/dbraw/zinc/95/21/86/506952186.db2.gz CVXKSNJBACRWMI-INIZCTEOSA-N 2 0 366.864 3.070 20 0 FGADRP Cn1cncc1CCC[N@H+](CCCOc1ccccc1)C1CCOCC1 ZINC000583760711 506958876 /nfs/dbraw/zinc/95/88/76/506958876.db2.gz LEUFVANLAVIDRR-UHFFFAOYSA-N 2 0 357.498 3.303 20 0 FGADRP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH+](C2CC2)C2CCCC2)CC1 ZINC000590925996 507030768 /nfs/dbraw/zinc/03/07/68/507030768.db2.gz JRWKRIBTENUGBN-UHFFFAOYSA-N 2 0 369.553 3.436 20 0 FGADRP O=C(N[C@H](C[NH+]1CCCC1)c1ccccc1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000594288866 507064716 /nfs/dbraw/zinc/06/47/16/507064716.db2.gz ZCBMTYUVXHHKRH-LEWJYISDSA-N 2 0 370.541 3.093 20 0 FGADRP CCOC(=O)C1([C@@H](C)[NH2+]Cc2csc(C(F)(F)F)c2)CC[NH2+]CC1 ZINC000600710553 507076413 /nfs/dbraw/zinc/07/64/13/507076413.db2.gz ORTCHECVALCRSA-LLVKDONJSA-N 2 0 364.433 3.178 20 0 FGADRP CCOC(=O)C1([C@@H](C)[NH2+]Cc2c(Cl)oc3ccccc32)CC[NH2+]CC1 ZINC000600711392 507076814 /nfs/dbraw/zinc/07/68/14/507076814.db2.gz STIUXEZXAGHMNQ-CYBMUJFWSA-N 2 0 364.873 3.497 20 0 FGADRP CC(C)[C@@H](C(=O)NCc1ccccc1C[NH+]1CCCC1)[NH+]1CCCCC1 ZINC000591109554 507118504 /nfs/dbraw/zinc/11/85/04/507118504.db2.gz PHZPVNLKVIFDQW-NRFANRHFSA-N 2 0 357.542 3.409 20 0 FGADRP C[N@H+](CCNC(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1)C1CCCC1 ZINC000591543922 507284116 /nfs/dbraw/zinc/28/41/16/507284116.db2.gz RICHQMCFATZDFF-KRWDZBQOSA-N 2 0 364.559 3.059 20 0 FGADRP C[NH+](C)C[C@H](NC(=O)NCc1ccc2c[nH+]cn2c1)c1ccc(Cl)cc1 ZINC000584515191 507387358 /nfs/dbraw/zinc/38/73/58/507387358.db2.gz HKJLFJHQBPSXJT-SFHVURJKSA-N 2 0 371.872 3.090 20 0 FGADRP C[NH+](C)C[C@@H](NC(=O)NCc1ccc2c[nH+]cn2c1)c1ccc(Cl)cc1 ZINC000584515190 507388121 /nfs/dbraw/zinc/38/81/21/507388121.db2.gz HKJLFJHQBPSXJT-GOSISDBHSA-N 2 0 371.872 3.090 20 0 FGADRP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2C[NH2+]C[C@@H]2CNc3ccnn3C2)C1 ZINC000595139195 507405331 /nfs/dbraw/zinc/40/53/31/507405331.db2.gz GSZGPVXERSRNKA-GUDVDZBRSA-N 2 0 367.541 3.193 20 0 FGADRP C[C@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+]C[C@H]1CNc2ccnn2C1 ZINC000595145012 507408123 /nfs/dbraw/zinc/40/81/23/507408123.db2.gz YSASJRHVWNHLMF-ROUUACIJSA-N 2 0 353.514 3.089 20 0 FGADRP C[C@H]([NH2+]C[C@H](O)[C@@H]([NH3+])Cc1ccccc1)c1ccc(OC(F)(F)F)cc1 ZINC000584598765 507429733 /nfs/dbraw/zinc/42/97/33/507429733.db2.gz MSHTYPAWMFUABR-KKXDTOCCSA-N 2 0 368.399 3.167 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)N1CCC[N@@H+](C2CCCC2)CC1)CC(C)C ZINC000606633854 507459342 /nfs/dbraw/zinc/45/93/42/507459342.db2.gz XUPUVJSHFFRIMY-HXUWFJFHSA-N 2 0 366.594 3.403 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000606640110 507462992 /nfs/dbraw/zinc/46/29/92/507462992.db2.gz GVYWGDUFYTVRHB-WOJBJXKFSA-N 2 0 364.578 3.301 20 0 FGADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)N(CC[NH+](C)C)CC1CCCCC1 ZINC000606639046 507463275 /nfs/dbraw/zinc/46/32/75/507463275.db2.gz LSYVVZJLGPKTPM-SFHVURJKSA-N 2 0 352.567 3.014 20 0 FGADRP CC[NH+]1CCC(CC[NH2+]C[C@@H](O)CO[C@@H]2CCCc3ccccc32)CC1 ZINC000584834343 507530887 /nfs/dbraw/zinc/53/08/87/507530887.db2.gz JZGSMPACEQOIQU-IFMALSPDSA-N 2 0 360.542 3.153 20 0 FGADRP CCC(CC)[C@@H](CNC(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1)[NH+]1CCCC1 ZINC000592481436 507674412 /nfs/dbraw/zinc/67/44/12/507674412.db2.gz JQFRMGHZJMLXTM-AZUAARDMSA-N 2 0 364.578 3.203 20 0 FGADRP c1ccc2sc(=NCCC[NH+]3CCN(c4cc[nH+]cc4)CC3)[nH]c2c1 ZINC000522133347 517997718 /nfs/dbraw/zinc/99/77/18/517997718.db2.gz HNZGFGPWCBETLL-UHFFFAOYSA-N 2 0 353.495 3.316 20 0 FGADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N[C@@H]2CCC[NH2+]CC2)cc1 ZINC000669117750 568033345 /nfs/dbraw/zinc/03/33/45/568033345.db2.gz FHPGJABTWLDWIY-FXAWDEMLSA-N 2 0 358.530 3.002 20 0 FGADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N2CCC(C)([NH3+])CC2)cc1 ZINC000669117923 568038585 /nfs/dbraw/zinc/03/85/85/568038585.db2.gz ZMYAHALKKUMALI-KRWDZBQOSA-N 2 0 358.530 3.084 20 0 FGADRP COc1ccc(C[NH2+]CCN2CC[NH+](Cc3ccccc3)CC2)cc1Cl ZINC000390837104 568304459 /nfs/dbraw/zinc/30/44/59/568304459.db2.gz AEPPYIQVEWETHS-UHFFFAOYSA-N 2 0 373.928 3.256 20 0 FGADRP C[C@H]([NH2+]CCCC[N@@H+]1CCCC[C@H]1C)c1ccc(-c2nn[nH]n2)cc1F ZINC000824585280 609325971 /nfs/dbraw/zinc/32/59/71/609325971.db2.gz PCFFCELHBNCCSO-CABCVRRESA-N 2 0 360.481 3.311 20 0 FGADRP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824945295 609326453 /nfs/dbraw/zinc/32/64/53/609326453.db2.gz BBNMFNBETTVZDR-CABCVRRESA-N 2 0 360.481 3.169 20 0 FGADRP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)c1cccc(-c2nn[nH]n2)c1 ZINC000824529157 609349996 /nfs/dbraw/zinc/34/99/96/609349996.db2.gz FEEDIRKUAZUDSQ-RLFYNMQTSA-N 2 0 354.502 3.170 20 0 FGADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=S)Nc1cccc(Cl)c1 ZINC000016184158 695625861 /nfs/dbraw/zinc/62/58/61/695625861.db2.gz OWCPPXQAQAQYTA-UHFFFAOYSA-N 2 0 356.967 3.242 20 0 FGADRP O=C(NCCC[NH+]1CCCCC1)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000078559799 700281883 /nfs/dbraw/zinc/28/18/83/700281883.db2.gz SZCQJORQYHKHPC-QGZVFWFLSA-N 2 0 364.559 3.060 20 0 FGADRP CC(C)COC(=O)N1CCC([NH2+]C[C@H]2CCC[N@H+](CC(C)C)C2)CC1 ZINC000120819185 700660388 /nfs/dbraw/zinc/66/03/88/700660388.db2.gz HRYSCZXKMDDBHS-GOSISDBHSA-N 2 0 353.551 3.201 20 0 FGADRP C[C@@H]([NH2+]C[C@@H](c1ccccc1Cl)N1CCOCC1)C1CC[NH+](C)CC1 ZINC000122745943 700695232 /nfs/dbraw/zinc/69/52/32/700695232.db2.gz UDRUWYANKOHXCB-UZLBHIALSA-N 2 0 365.949 3.033 20 0 FGADRP O[C@@H](COCc1ccccc1Cl)C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000151146558 704913320 /nfs/dbraw/zinc/91/33/20/704913320.db2.gz IQJKRRUHFBXQBL-RBUKOAKNSA-N 2 0 366.933 3.168 20 0 FGADRP [NH3+]CCCCCC(=O)N[C@H]1CCCN(Cc2ccc(F)cc2Cl)C1 ZINC000155696139 705088002 /nfs/dbraw/zinc/08/80/02/705088002.db2.gz LPZIDCSVLOEYIA-INIZCTEOSA-N 2 0 355.885 3.079 20 0 FGADRP C[C@H]([NH2+]CCC1CC[NH+](C)CC1)[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000182633976 705853772 /nfs/dbraw/zinc/85/37/72/705853772.db2.gz NXFYVOSCOJCGPE-WMZOPIPTSA-N 2 0 353.551 3.486 20 0 FGADRP O[C@@H](C[NH+]1CCC(CCC[NH+]2CCOCC2)CC1)c1cccc(Cl)c1 ZINC000182961212 705870611 /nfs/dbraw/zinc/87/06/11/705870611.db2.gz ZPIOYEVJRBKAOA-FQEVSTJZSA-N 2 0 366.933 3.198 20 0 FGADRP C[C@@H](CC[NH2+]C[C@@]1(C)CCN(C(=O)OC(C)(C)C)C1)[NH+]1CCCCC1 ZINC000195222984 713549803 /nfs/dbraw/zinc/54/98/03/713549803.db2.gz MUSXACNUDQTWAL-FXAWDEMLSA-N 2 0 353.551 3.488 20 0 FGADRP Clc1cc(CNC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)ccc1Br ZINC000236072261 713580726 /nfs/dbraw/zinc/58/07/26/713580726.db2.gz VKIIZQGCIYFCNJ-OLZOCXBDSA-N 2 0 359.695 3.055 20 0 FGADRP CC(C)C[NH+]1CCC(NC(=O)N(C)CCCC[NH+]2CCCCC2)CC1 ZINC000641752085 717926767 /nfs/dbraw/zinc/92/67/67/717926767.db2.gz OOMPOIGYESOVMS-UHFFFAOYSA-N 2 0 352.567 3.014 20 0 FGADRP CCC[NH+]1CCC([NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)CC2(C)C)CC1 ZINC000385049074 713982802 /nfs/dbraw/zinc/98/28/02/713982802.db2.gz MZSMDDKAHSOGRJ-QGZVFWFLSA-N 2 0 353.551 3.486 20 0 FGADRP C[C@H]([NH2+][C@@H]1CCCC[C@H]1CNC(=O)OC(C)(C)C)C1CC[NH+](C)CC1 ZINC000385486400 713983461 /nfs/dbraw/zinc/98/34/61/713983461.db2.gz DXYGQGKAKXHUGW-RYQLBKOJSA-N 2 0 353.551 3.390 20 0 FGADRP CC(C)(C)OC(=O)N1CCC[C@](C)(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000385979337 713984258 /nfs/dbraw/zinc/98/42/58/713984258.db2.gz NWBRRJIRQYMPMU-ABSDTBQOSA-N 2 0 351.535 3.240 20 0 FGADRP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000386553372 713985317 /nfs/dbraw/zinc/98/53/17/713985317.db2.gz HJZIVWUXYJKCIJ-MLHJIOFPSA-N 2 0 351.535 3.381 20 0 FGADRP C[NH+]1CCN(C(C)(C)C[NH2+][C@@H]2CCSc3ccc(Cl)cc32)CC1 ZINC000390315800 713988774 /nfs/dbraw/zinc/98/87/74/713988774.db2.gz WPRCKEREFVNXGO-MRXNPFEDSA-N 2 0 353.963 3.493 20 0 FGADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]C2CCN(Cc3ccccc3Br)CC2)C1 ZINC000414924004 714005836 /nfs/dbraw/zinc/00/58/36/714005836.db2.gz JFPZYONYAMDEEI-NVXWUHKLSA-N 2 0 366.347 3.273 20 0 FGADRP CCC[NH+](CCC)CCCNC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000521705790 714143572 /nfs/dbraw/zinc/14/35/72/714143572.db2.gz PANFQBMHLUKKAP-IBGZPJMESA-N 2 0 352.567 3.158 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CCc1cccc(Cl)c1 ZINC000523484244 714236376 /nfs/dbraw/zinc/23/63/76/714236376.db2.gz CZQBHVHIRASWCM-LJQANCHMSA-N 2 0 365.949 3.147 20 0 FGADRP C[NH+]1CCC(C[NH2+]Cc2cc(Cl)ccc2OC[C@@H]2CCCO2)CC1 ZINC000525758855 714375963 /nfs/dbraw/zinc/37/59/63/714375963.db2.gz MJVFXDGPBVYOIA-SFHVURJKSA-N 2 0 352.906 3.329 20 0 FGADRP Brc1cccc(C2([NH2+]CC[C@H]3CCC[NH2+]C3)CCOCC2)c1 ZINC000574907401 714454596 /nfs/dbraw/zinc/45/45/96/714454596.db2.gz BVJCIIULWFPSNN-OAHLLOKOSA-N 2 0 367.331 3.434 20 0 FGADRP CSC1(C[NH2+][C@@H](C)c2cccc(N3CCOCC3)c2)CC[NH+](C)CC1 ZINC000579891529 714500010 /nfs/dbraw/zinc/50/00/10/714500010.db2.gz VSFBSXGBOYDGHC-KRWDZBQOSA-N 2 0 363.571 3.001 20 0 FGADRP C[N@H+](Cc1ccc2nc(NC(=O)C3CC[NH+](C)CC3)sc2c1)C1CC1 ZINC000617866488 714698048 /nfs/dbraw/zinc/69/80/48/714698048.db2.gz ODZFYTQTLQWNEQ-UHFFFAOYSA-N 2 0 358.511 3.171 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)N[C@H]1CCC[N@H+](C)C1)c1ccccc1Cl ZINC000618547100 714756321 /nfs/dbraw/zinc/75/63/21/714756321.db2.gz BNYFWZLJYLZQAA-YJBOKZPZSA-N 2 0 366.937 3.116 20 0 FGADRP O=C(CC[C@@H]1CCC[NH2+]C1)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000621641859 715014055 /nfs/dbraw/zinc/01/40/55/715014055.db2.gz YVHFREHKTWMFPY-LPHOPBHVSA-N 2 0 363.933 3.373 20 0 FGADRP COC[C@H](CCC[NH3+])[NH2+][C@H]1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000643458565 718034789 /nfs/dbraw/zinc/03/47/89/718034789.db2.gz DVHQNAXYLSAMTC-WHOHXGKFSA-N 2 0 350.347 3.239 20 0 FGADRP C[C@@H]([NH2+][C@H]1CCC[NH2+]CC1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000643521946 718037693 /nfs/dbraw/zinc/03/76/93/718037693.db2.gz FRVAXSGOVCUPIY-WBVHZDCISA-N 2 0 350.528 3.196 20 0 FGADRP C[C@H]1[C@@H]([NH2+]C2CC[NH+](CC3CC3)CC2)CCCN1C(=O)OC(C)(C)C ZINC000779077845 724388137 /nfs/dbraw/zinc/38/81/37/724388137.db2.gz XVGGBNAWQIOJHR-YJBOKZPZSA-N 2 0 351.535 3.238 20 0 FGADRP C[C@@H]1C[N@H+](CCOCC[NH+]2C[C@H](C)C(F)(F)[C@@H](C)C2)C[C@H](C)C1(F)F ZINC000625654784 715767675 /nfs/dbraw/zinc/76/76/75/715767675.db2.gz QUKODWIPQUXHOZ-YHUYYLMFSA-N 2 0 368.459 3.449 20 0 FGADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000627156651 716002817 /nfs/dbraw/zinc/00/28/17/716002817.db2.gz FGXFAFUGIGPWOK-XHSDSOJGSA-N 2 0 373.328 3.036 20 0 FGADRP Clc1ccc(N2CCO[C@H](C[NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000629523109 716302313 /nfs/dbraw/zinc/30/23/13/716302313.db2.gz KFUXUBZFNBYFAX-YSTOQKLRSA-N 2 0 363.933 3.056 20 0 FGADRP Cc1c(C[NH+]2CCC(OCC[NH+](C)C)CC2)sc2nc(C)nc(C)c12 ZINC000769384702 723683816 /nfs/dbraw/zinc/68/38/16/723683816.db2.gz UOGAJRKJIKBHBU-UHFFFAOYSA-N 2 0 362.543 3.159 20 0 FGADRP C[C@@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+][C@H]1CC[C@H](C[NH3+])CC1 ZINC000635004417 717139061 /nfs/dbraw/zinc/13/90/61/717139061.db2.gz DGAQQGQKOVEUSH-MPGHIAIKSA-N 2 0 351.922 3.184 20 0 FGADRP Cc1ccc(C[NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)cc1Br ZINC000635013562 717139372 /nfs/dbraw/zinc/13/93/72/717139372.db2.gz TYDWWPBMUJXMOF-HYVNUMGLSA-N 2 0 353.304 3.004 20 0 FGADRP CC(C)(O)C[NH+]1CCC([NH2+][C@H]2CCc3c2cccc3Br)CC1 ZINC000638580095 717467275 /nfs/dbraw/zinc/46/72/75/717467275.db2.gz CAVJOILTYODMJU-KRWDZBQOSA-N 2 0 367.331 3.261 20 0 FGADRP C[C@@H](Cc1ccccc1C(F)(F)F)[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000638959628 717502466 /nfs/dbraw/zinc/50/24/66/717502466.db2.gz JQYWQTWJOHBKCR-AWEZNQCLSA-N 2 0 358.448 3.461 20 0 FGADRP C[NH+]1CCC2(CC[N@H+](CCc3nc(-c4ccc(Cl)cc4)no3)C2)CC1 ZINC000639758975 717599251 /nfs/dbraw/zinc/59/92/51/717599251.db2.gz YZLDJLAWMXZGNW-UHFFFAOYSA-N 2 0 360.889 3.350 20 0 FGADRP C[C@H]([NH2+][C@H]1CC[C@](O)(C(F)(F)F)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000644554943 718123380 /nfs/dbraw/zinc/12/33/80/718123380.db2.gz RVJRNTYRHKPINL-JLJPHGGASA-N 2 0 360.420 3.124 20 0 FGADRP CCCN(C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1)[C@@H]1CC[N@H+](C)C1 ZINC000645118271 718184183 /nfs/dbraw/zinc/18/41/83/718184183.db2.gz NZKIAFUPVYDDGG-IAGOWNOFSA-N 2 0 364.559 3.011 20 0 FGADRP COCC[N@H+](C)CCOc1cccc(C[NH2+]C2CCC(F)(F)CC2)c1 ZINC000647178781 718338062 /nfs/dbraw/zinc/33/80/62/718338062.db2.gz JJYAAURGPFDJAC-UHFFFAOYSA-N 2 0 356.457 3.311 20 0 FGADRP O=C(c1ccc(Cl)cc1)N1CCC[N@H+](CCCC2CC[NH2+]CC2)CC1 ZINC000647881590 718383068 /nfs/dbraw/zinc/38/30/68/718383068.db2.gz OZSAZKPEHPJWBQ-UHFFFAOYSA-N 2 0 363.933 3.268 20 0 FGADRP CC[C@H](NC(=O)C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1)c1ccc(Cl)cc1 ZINC000647970681 718390645 /nfs/dbraw/zinc/39/06/45/718390645.db2.gz WBJYRDRXFJCTCW-HKUYNNGSSA-N 2 0 363.933 3.229 20 0 FGADRP CSc1cccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC000647976584 718391453 /nfs/dbraw/zinc/39/14/53/718391453.db2.gz QKBZMBZDXCCNJF-ULQDDVLXSA-N 2 0 361.555 3.447 20 0 FGADRP C[C@@H]1CC[NH2+][C@H](C(=O)NCC2CC[NH+](Cc3ccccc3Cl)CC2)C1 ZINC000649323970 718503742 /nfs/dbraw/zinc/50/37/42/718503742.db2.gz BPEOVMURUKQABO-BEFAXECRSA-N 2 0 363.933 3.056 20 0 FGADRP COc1ccc(C[N@@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)c(Cl)c1OC ZINC000650706345 718717057 /nfs/dbraw/zinc/71/70/57/718717057.db2.gz IZFNDOKZXDROJL-YSVLISHTSA-N 2 0 368.905 3.076 20 0 FGADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@H+](Cc3cc(F)ccc3Br)C2)C1 ZINC000650708242 718718242 /nfs/dbraw/zinc/71/82/42/718718242.db2.gz WETNRHRJHPKOIR-MJEQTWJJSA-N 2 0 371.294 3.307 20 0 FGADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@@H+]2Cc2cc(O)ccc2Br)C1 ZINC000650722943 718720517 /nfs/dbraw/zinc/72/05/17/718720517.db2.gz DZOXIBYHZFNIKC-KBRIMQKVSA-N 2 0 369.303 3.016 20 0 FGADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2Cc2sccc2Br)C1 ZINC000650723786 718721267 /nfs/dbraw/zinc/72/12/67/718721267.db2.gz UCRIPDFREITPNK-BNOWGMLFSA-N 2 0 359.333 3.371 20 0 FGADRP C[C@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+]CCC1CC[NH2+]CC1 ZINC000650764014 718725116 /nfs/dbraw/zinc/72/51/16/718725116.db2.gz OKKMTRVKHSYTGB-CYBMUJFWSA-N 2 0 357.420 3.402 20 0 FGADRP CC[N@H+](CCCNC(=O)N(C)[C@@H]1CC[NH+](C)[C@@H](C)C1)C1CCCCC1 ZINC000651219724 718783602 /nfs/dbraw/zinc/78/36/02/718783602.db2.gz FWIVCQFAIYQMDD-PKOBYXMFSA-N 2 0 352.567 3.155 20 0 FGADRP FC(F)(F)[C@H]1N(c2ccc(C[NH+]3CCCC3)cn2)CCC12CC[NH2+]CC2 ZINC001164387164 718815174 /nfs/dbraw/zinc/81/51/74/718815174.db2.gz DQAQBOMDNWWJHF-KRWDZBQOSA-N 2 0 368.447 3.188 20 0 FGADRP CC[NH+]1CCN(CCCC[NH2+][C@@H]2CCc3ccc(F)c(Cl)c32)CC1 ZINC000651676788 718849619 /nfs/dbraw/zinc/84/96/19/718849619.db2.gz NKWJMIIMTGSGKL-QGZVFWFLSA-N 2 0 353.913 3.474 20 0 FGADRP CC[C@@H]([NH2+]C[C@H](C)C[NH+]1CCCC1)c1cc(OC)c(OC)c(OC)c1 ZINC000652140965 718916463 /nfs/dbraw/zinc/91/64/63/718916463.db2.gz AUTOWJQMZFLBTD-DOTOQJQBSA-N 2 0 350.503 3.485 20 0 FGADRP C[C@@H]1C[C@H](NC(=O)Nc2ccc(SCC[NH+]3CCCC3)cc2)CC[NH2+]1 ZINC000652613990 718966409 /nfs/dbraw/zinc/96/64/09/718966409.db2.gz KGXPGFRFHYUPQP-NVXWUHKLSA-N 2 0 362.543 3.137 20 0 FGADRP O=C(Nc1ccc(SCC[NH+]2CCCC2)cc1)[C@@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000653253184 719030716 /nfs/dbraw/zinc/03/07/16/719030716.db2.gz KGQKOTFAIXUMEB-MOPGFXCFSA-N 2 0 359.539 3.344 20 0 FGADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]CC2=Cc3cc(Br)ccc3OC2)C1 ZINC000655826999 719344699 /nfs/dbraw/zinc/34/46/99/719344699.db2.gz LZKFEHFWZPUQSX-DRQUAOQDSA-N 2 0 351.288 3.155 20 0 FGADRP Brc1ccc(C[NH2+]CC2CC[NH+](C3CCOCC3)CC2)cc1 ZINC000657536888 719668185 /nfs/dbraw/zinc/66/81/85/719668185.db2.gz SVJQAAJGISJGOI-UHFFFAOYSA-N 2 0 367.331 3.430 20 0 FGADRP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+]Cc1csc(-c2ccc(F)cc2)n1 ZINC000657574237 719677051 /nfs/dbraw/zinc/67/70/51/719677051.db2.gz UQTPJDBWSANTQZ-HNNXBMFYSA-N 2 0 364.534 3.311 20 0 FGADRP CC[NH+]1CCN(Cc2ccc(C[NH2+]C3CC(CF)(CF)C3)cc2)CC1 ZINC000657838709 719719298 /nfs/dbraw/zinc/71/92/98/719719298.db2.gz FMZILYAUZVHKDW-UHFFFAOYSA-N 2 0 351.485 3.002 20 0 FGADRP C[C@@H]([NH2+][C@@H](C)CN1CC[NH+](C)CC1)c1ccc(Br)c(Cl)c1 ZINC000657880938 719724923 /nfs/dbraw/zinc/72/49/23/719724923.db2.gz OEUIEZWEEDFICK-QWHCGFSZSA-N 2 0 374.754 3.389 20 0 FGADRP C[C@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)c1cc2ccncc2s1 ZINC000657936385 719733939 /nfs/dbraw/zinc/73/39/39/719733939.db2.gz QKOJKEVTDIZMCQ-AWEZNQCLSA-N 2 0 356.495 3.483 20 0 FGADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]CC(C)(C)[C@@]3(O)CCCOC3)CC2)C1 ZINC000658313072 719784590 /nfs/dbraw/zinc/78/45/90/719784590.db2.gz WQUBIBSOKSUIRG-SLYNCCJLSA-N 2 0 352.563 3.187 20 0 FGADRP Cc1nc(C[N@@H+]2CCCC23CCN(c2cc(N)c(C)c[nH+]2)CC3)cs1 ZINC001164691528 719812472 /nfs/dbraw/zinc/81/24/72/719812472.db2.gz GDQOXQIMHQFHRA-UHFFFAOYSA-N 2 0 357.527 3.372 20 0 FGADRP CC[N@H+](CCC1CC[NH+](CCN2C[C@H](C)O[C@@H](C)C2)CC1)CC(C)C ZINC000660170098 720000721 /nfs/dbraw/zinc/00/07/21/720000721.db2.gz DMCLTGJBPVSEOY-PMACEKPBSA-N 2 0 353.595 3.176 20 0 FGADRP COc1ccccc1C[N@@H+](Cc1cccs1)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662249367 720404763 /nfs/dbraw/zinc/40/47/63/720404763.db2.gz UKGKEZCHYNPADJ-KRWDZBQOSA-N 2 0 358.507 3.280 20 0 FGADRP [NH3+][C@H]1CCCO[C@H]1C1CC[NH+](CCSc2ccc(F)cc2F)CC1 ZINC000662279727 720409026 /nfs/dbraw/zinc/40/90/26/720409026.db2.gz BLLKIJYZGGPQSM-WMZOPIPTSA-N 2 0 356.482 3.275 20 0 FGADRP Cc1cc([C@H]2CCC[N@@H+]2C[C@@H]2CCC3(C[NH2+]C3)O2)ccc1Br ZINC000662281603 720409588 /nfs/dbraw/zinc/40/95/88/720409588.db2.gz YOSNHMFEGNROKB-DOTOQJQBSA-N 2 0 365.315 3.415 20 0 FGADRP COc1cccc(SCC[N@@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)c1 ZINC000662285193 720409855 /nfs/dbraw/zinc/40/98/55/720409855.db2.gz ZHFFTNQTLXHJDB-KFKAGJAMSA-N 2 0 350.528 3.148 20 0 FGADRP C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)c2cc3c(s2)CC[NH2+]C3)C1 ZINC000662459541 720430863 /nfs/dbraw/zinc/43/08/63/720430863.db2.gz IYUGTOIUWBDYBU-JKSUJKDBSA-N 2 0 361.555 3.120 20 0 FGADRP C[NH+](C)[C@H](CNC(=O)c1cc2c(s1)CC[NH2+]C2)c1ccc(Cl)cc1 ZINC000662487377 720434037 /nfs/dbraw/zinc/43/40/37/720434037.db2.gz RQTLNIWYLUXSBX-OAHLLOKOSA-N 2 0 363.914 3.080 20 0 FGADRP [NH3+]C1(C(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)CC2(CCC2)C1 ZINC000662663054 720450572 /nfs/dbraw/zinc/45/05/72/720450572.db2.gz DNJRCKDBKFUZNK-QGZVFWFLSA-N 2 0 361.917 3.255 20 0 FGADRP CC[NH+](CC)CCN(Cc1ccc(Cl)cc1)C(=O)[C@H]1CCC[NH2+]CC1 ZINC000662870379 720464413 /nfs/dbraw/zinc/46/44/13/720464413.db2.gz GMVDRBGIJKNKSE-SFHVURJKSA-N 2 0 365.949 3.400 20 0 FGADRP C[C@@](O)(C[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2)C(F)(F)F ZINC000663368262 720506383 /nfs/dbraw/zinc/50/63/83/720506383.db2.gz CFJSLHOCCHPZSP-DLBZAZTESA-N 2 0 356.432 3.192 20 0 FGADRP Cc1ccc(Cl)c(OC[C@@H](O)C[NH2+]CC2CC[NH+](CC3CC3)CC2)c1 ZINC000663374026 720507183 /nfs/dbraw/zinc/50/71/83/720507183.db2.gz BNPYDUIBGCQLCL-SFHVURJKSA-N 2 0 366.933 3.100 20 0 FGADRP O=C(CC[NH2+]CC1CC[NH+](CC2CC2)CC1)Nc1cc(F)cc(F)c1 ZINC000663375620 720507653 /nfs/dbraw/zinc/50/76/53/720507653.db2.gz WNNJPOIQJJODNO-UHFFFAOYSA-N 2 0 351.441 3.005 20 0 FGADRP CCC[N@H+](C)CC(C)(C)NC(=O)N[C@@H](C)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000664627179 720667509 /nfs/dbraw/zinc/66/75/09/720667509.db2.gz USOBDLMDXVLSQW-DLBZAZTESA-N 2 0 352.567 3.059 20 0 FGADRP CC(C)[C@H]([NH3+])CC[NH2+][C@H](C)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000665280903 720749657 /nfs/dbraw/zinc/74/96/57/720749657.db2.gz OTJXIIHJQLGCRT-DNVCBOLYSA-N 2 0 352.544 3.427 20 0 FGADRP C[NH+](C)C[C@@H](NC(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1)c1ccc(Cl)cc1 ZINC000665554065 720784756 /nfs/dbraw/zinc/78/47/56/720784756.db2.gz FFMJEZXRDYNJCX-DLBZAZTESA-N 2 0 366.937 3.115 20 0 FGADRP CC(C)Oc1cc[nH+]c(N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@@H]2C)c1 ZINC001164857248 720969321 /nfs/dbraw/zinc/96/93/21/720969321.db2.gz FGCVPRMGOHRCLG-INIZCTEOSA-N 2 0 357.502 3.487 20 0 FGADRP O=C(c1ccccc1Cl)N1CCC([NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)CC1 ZINC000666995649 721011064 /nfs/dbraw/zinc/01/10/64/721011064.db2.gz VJGVILVSLGOZSB-MRXNPFEDSA-N 2 0 361.917 3.209 20 0 FGADRP C[C@H]([NH2+]CCC(=O)Nc1ccc(Br)cc1)C1CC[NH+](C)CC1 ZINC000675800458 721775322 /nfs/dbraw/zinc/77/53/22/721775322.db2.gz ODZRJEKORBJLQW-ZDUSSCGKSA-N 2 0 368.319 3.098 20 0 FGADRP CC(C)[NH+]1CCN(C2CC[NH+](CCO[C@@H]3CCCC[C@@H]3C)CC2)CC1 ZINC000677739146 721913402 /nfs/dbraw/zinc/91/34/02/721913402.db2.gz VEYPHVNRGZQMMV-PZJWPPBQSA-N 2 0 351.579 3.072 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@H](OC)c2ccc(F)cc2)[C@H](C)C1 ZINC000678594679 721966212 /nfs/dbraw/zinc/96/62/12/721966212.db2.gz JHBPJBMWYUBQTK-UXPWSPDFSA-N 2 0 352.494 3.240 20 0 FGADRP CC(C)(C)OC(=O)N1CCC(CC[NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000702610351 722410684 /nfs/dbraw/zinc/41/06/84/722410684.db2.gz HUUHYUDNAIENJM-ROUUACIJSA-N 2 0 351.535 3.240 20 0 FGADRP CC(C)[N@@H+]1CC[C@H](C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)N(C(=O)OC(C)(C)C)C3)C1 ZINC000707908310 722412432 /nfs/dbraw/zinc/41/24/32/722412432.db2.gz QJNMMPWADTVEHI-XDNAFOTISA-N 2 0 351.535 3.094 20 0 FGADRP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+][C@H]2C[C@H]3C[C@@H](C2)N(C(=O)OC(C)(C)C)C3)C1 ZINC000715543005 722415879 /nfs/dbraw/zinc/41/58/79/722415879.db2.gz NGJWOAVOGSURBM-RZFLPCETSA-N 2 0 351.535 3.237 20 0 FGADRP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]CCC2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000715563869 722415887 /nfs/dbraw/zinc/41/58/87/722415887.db2.gz YIOBOJVMGIKLFX-ZWKOTPCHSA-N 2 0 353.551 3.486 20 0 FGADRP C[C@@](O)(C[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(F)(F)C(F)(F)F ZINC000724115764 722420839 /nfs/dbraw/zinc/42/08/39/722420839.db2.gz NJDRXQRYJWWFDT-LSDHHAIUSA-N 2 0 366.374 3.047 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=S)N[C@@H](C)c1cccs1 ZINC000726489995 722435567 /nfs/dbraw/zinc/43/55/67/722435567.db2.gz GTNFNKYGKMAGJJ-JKSUJKDBSA-N 2 0 368.616 3.032 20 0 FGADRP C[C@@H]1C[C@@H](C)C[NH+](CCC[NH2+]C[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000727467390 722444823 /nfs/dbraw/zinc/44/48/23/722444823.db2.gz VTROGIRPHLEBDP-KURKYZTESA-N 2 0 353.551 3.344 20 0 FGADRP C[N@H+](C[C@@H](O)COc1cc(Cl)ccc1Cl)C[C@H]1CCC[NH+](C)C1 ZINC000741253397 722543896 /nfs/dbraw/zinc/54/38/96/722543896.db2.gz VUXJCFRXVURJCW-DZGCQCFKSA-N 2 0 361.313 3.007 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=S)Nc1ccc(C)cc1C ZINC000751010586 722790648 /nfs/dbraw/zinc/79/06/48/722790648.db2.gz ITILVLVGKVTKLX-GOSISDBHSA-N 2 0 362.587 3.348 20 0 FGADRP COc1ccc([C@H](C)[NH2+][C@@H](CO)CC(F)F)cc1C[NH+]1CCCCC1 ZINC000760036228 723034724 /nfs/dbraw/zinc/03/47/24/723034724.db2.gz DKSZDSOCOXIZNG-WMLDXEAASA-N 2 0 356.457 3.348 20 0 FGADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H](C)c2cc(Cl)c(N)c(Cl)c2)CC1 ZINC000760156273 723040325 /nfs/dbraw/zinc/04/03/25/723040325.db2.gz JWOVRMFVULQYNB-STQMWFEESA-N 2 0 359.345 3.252 20 0 FGADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H](C)c2cc(Cl)c(N)c(Cl)c2)CC1 ZINC000760156271 723040467 /nfs/dbraw/zinc/04/04/67/723040467.db2.gz JWOVRMFVULQYNB-OLZOCXBDSA-N 2 0 359.345 3.252 20 0 FGADRP CC[N@@H+]1CC[C@@H]([NH2+]CCC2=CCN(C(=O)OC(C)(C)C)CC2)[C@H](C)C1 ZINC000793330602 723425927 /nfs/dbraw/zinc/42/59/27/723425927.db2.gz JWKGZRVEADMBNL-SJLPKXTDSA-N 2 0 351.535 3.264 20 0 FGADRP CC(C)(C)SCC[NH+]1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000796384580 723635662 /nfs/dbraw/zinc/63/56/62/723635662.db2.gz PNNLVJAPLAJNMA-FQEVSTJZSA-N 2 0 361.599 3.410 20 0 FGADRP C(C1CCCCC1)[NH+]1CCC([NH2+][C@@H]2CCOC3(CCOCC3)C2)CC1 ZINC000773080371 723776180 /nfs/dbraw/zinc/77/61/80/723776180.db2.gz LGXXANFNGVQXSR-HXUWFJFHSA-N 2 0 350.547 3.349 20 0 FGADRP C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000774494680 723899671 /nfs/dbraw/zinc/89/96/71/723899671.db2.gz DYCDZLPPFFPWGU-CRAIPNDOSA-N 2 0 351.535 3.096 20 0 FGADRP CCOC(=O)C(F)(F)[C@H]1CCC[C@@H]([NH2+]CC2CC[NH+](C3CC3)CC2)C1 ZINC000774498222 723899735 /nfs/dbraw/zinc/89/97/35/723899735.db2.gz RRVYEEWSWDSKHE-JKSUJKDBSA-N 2 0 358.473 3.208 20 0 FGADRP C[C@@H](NC(=O)C[N@@H+]1CCCC2(CC[NH+](C)CC2)C1)c1ccc(Cl)cc1 ZINC000799178339 723995506 /nfs/dbraw/zinc/99/55/06/723995506.db2.gz UHEQMLUDHFQOAW-MRXNPFEDSA-N 2 0 363.933 3.325 20 0 FGADRP C[N@@H+]1CCC[C@H]2C[NH+](CCN(C(=O)OC(C)(C)C)C(C)(C)C)CC[C@H]21 ZINC000809596209 725250867 /nfs/dbraw/zinc/25/08/67/725250867.db2.gz WSXIBBCLJFWUSF-DLBZAZTESA-N 2 0 353.551 3.438 20 0 FGADRP Brc1c(C[NH2+]CC2CC[NH+](C3CC3)CC2)nc2ccccn12 ZINC000809655375 725256512 /nfs/dbraw/zinc/25/65/12/725256512.db2.gz IZUQDPUICNNLPZ-UHFFFAOYSA-N 2 0 363.303 3.061 20 0 FGADRP CSC1(C[NH2+]C[C@@H](CC(C)C)NC(=O)OC(C)(C)C)CC[NH+](C)CC1 ZINC000811513062 725371531 /nfs/dbraw/zinc/37/15/31/725371531.db2.gz DAASKSRHFPYXSA-MRXNPFEDSA-N 2 0 373.607 3.343 20 0 FGADRP C[NH+](C)Cc1cccc(C[NH2+]C[C@H](O)c2ccccc2Br)c1 ZINC000818954270 727330076 /nfs/dbraw/zinc/33/00/76/727330076.db2.gz UYKUEQUDOXFWNI-SFHVURJKSA-N 2 0 363.299 3.334 20 0 FGADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+]C[C@H](O)c2ccc(F)c(Br)c2)C1 ZINC000818984625 727334308 /nfs/dbraw/zinc/33/43/08/727334308.db2.gz JLZKGGSAJAKHNX-DYVFJYSZSA-N 2 0 373.310 3.332 20 0 FGADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]C[C@H](O)c2cccc(Br)c2)C1 ZINC000818984349 727334362 /nfs/dbraw/zinc/33/43/62/727334362.db2.gz FIAJAFZFPSWONH-YOEHRIQHSA-N 2 0 355.320 3.193 20 0 FGADRP C[NH+](C)CCOc1ccccc1C[NH2+]C[C@@H](O)c1ccc(F)cc1Cl ZINC000818984190 727334459 /nfs/dbraw/zinc/33/44/59/727334459.db2.gz AIMCYEFWWKNDBE-GOSISDBHSA-N 2 0 366.864 3.243 20 0 FGADRP O[C@H](C[NH2+]C1CCC([NH+]2CCCCC2)CC1)COc1ccccc1Cl ZINC000819139710 727351652 /nfs/dbraw/zinc/35/16/52/727351652.db2.gz HRZBHLLVTRLZFX-DAWZGUTISA-N 2 0 366.933 3.466 20 0 FGADRP C[NH+](C)CC1(C[NH2+]C[C@@H](O)c2ccccc2Br)CCCC1 ZINC000819226364 727359835 /nfs/dbraw/zinc/35/98/35/727359835.db2.gz DFJJKTYLQGJVSX-MRXNPFEDSA-N 2 0 355.320 3.194 20 0 FGADRP C[C@H](CC[NH2+]C[C@@H](O)c1cccc(Br)c1)[NH+]1CCCCC1 ZINC000819228263 727359952 /nfs/dbraw/zinc/35/99/52/727359952.db2.gz HGSFILDGEUFYRG-RHSMWYFYSA-N 2 0 355.320 3.337 20 0 FGADRP CC(C)(C[NH2+]C[C@H](O)c1ccc(F)c(Br)c1)C[NH+]1CCCC1 ZINC000819259722 727362234 /nfs/dbraw/zinc/36/22/34/727362234.db2.gz LTBWKJHSCUQQHG-INIZCTEOSA-N 2 0 373.310 3.333 20 0 FGADRP C[C@H]1CC[C@H]([NH2+]C2CCC(C[NH+](C)C)CC2)CN1C(=O)OC(C)(C)C ZINC000822465092 729177948 /nfs/dbraw/zinc/17/79/48/729177948.db2.gz ZZSXJUKQFIPBOD-BFWZDYSYSA-N 2 0 353.551 3.484 20 0 FGADRP CC(C)[NH+]1CCC([NH2+]C[C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)CC1 ZINC000823614372 729292481 /nfs/dbraw/zinc/29/24/81/729292481.db2.gz PVAOTZOVAARBRM-DLBZAZTESA-N 2 0 353.551 3.484 20 0 FGADRP CC[N@H+](CCC[NH+]1CCCC1)C[C@]12C[C@H]1CN(C(=O)OC(C)(C)C)C2 ZINC000824389759 729335467 /nfs/dbraw/zinc/33/54/67/729335467.db2.gz SIFUMXWWOYJKMS-PXNSSMCTSA-N 2 0 351.535 3.051 20 0 FGADRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2ccc(CSC(F)F)o2)CC1 ZINC000825275226 729376681 /nfs/dbraw/zinc/37/66/81/729376681.db2.gz ASYNFHCQVADAPD-UHFFFAOYSA-N 2 0 361.502 3.241 20 0 FGADRP C[C@@H]([NH2+]Cc1cc(Cl)cc(C[NH2+][C@@H](C)c2cn[nH]c2)c1)c1cn[nH]c1 ZINC000828858386 729448827 /nfs/dbraw/zinc/44/88/27/729448827.db2.gz XVTJJJMBEMUPLK-BETUJISGSA-N 2 0 358.877 3.488 20 0 FGADRP COC(=O)c1cccc(C[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)c1Cl ZINC000829443865 729480824 /nfs/dbraw/zinc/48/08/24/729480824.db2.gz IACZFLQAYQDOQD-UHFFFAOYSA-N 2 0 350.890 3.434 20 0 FGADRP [NH3+]CCCCCCNC(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000831100488 729617846 /nfs/dbraw/zinc/61/78/46/729617846.db2.gz WYKNEDPLHJIMIS-GOSISDBHSA-N 2 0 366.937 3.295 20 0 FGADRP C[N@@H+]1CCC[C@H](CC[NH2+][C@H]2CCCC[C@H]2CNC(=O)OC(C)(C)C)C1 ZINC000840810939 730177829 /nfs/dbraw/zinc/17/78/29/730177829.db2.gz WQCOSOPLNOKHIT-SQNIBIBYSA-N 2 0 353.551 3.391 20 0 FGADRP COc1cc(Br)c(C[N@H+](C)C2CCC([NH3+])CC2)c(OC)c1 ZINC000843056101 730574634 /nfs/dbraw/zinc/57/46/34/730574634.db2.gz ZDAASLDCVQHRAS-UHFFFAOYSA-N 2 0 357.292 3.168 20 0 FGADRP Cc1cc([C@@H]([NH3+])CC(=O)NC[C@@H](C2CCCCC2)[NH+](C)C)cc(Cl)n1 ZINC000844172477 730690385 /nfs/dbraw/zinc/69/03/85/730690385.db2.gz UXIQJDAYQUOTBR-IRXDYDNUSA-N 2 0 366.937 3.060 20 0 FGADRP C[N@@H+]1CC[C@H]([NH2+]CCC2(CNC(=O)OC(C)(C)C)CC2)[C@@H]2CCC[C@@H]21 ZINC000846200734 730936163 /nfs/dbraw/zinc/93/61/63/730936163.db2.gz ULVQDQMOCCJHDE-ULQDDVLXSA-N 2 0 351.535 3.144 20 0 FGADRP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](CCCCCCNC(=O)OC(C)(C)C)C2 ZINC000852107031 731544227 /nfs/dbraw/zinc/54/42/27/731544227.db2.gz HSCIPNVIFQTXFU-HXUWFJFHSA-N 2 0 353.551 3.489 20 0 FGADRP C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1[NH2+]C[C@H]1CCCC[N@H+](C)C1 ZINC000858490779 732220258 /nfs/dbraw/zinc/22/02/58/732220258.db2.gz OHNQKNNUDKJFGT-KZNAEPCWSA-N 2 0 353.551 3.344 20 0 FGADRP CC(C)(C)OC(=O)N[C@H](C[NH2+]C1CC([NH+]2CCCCC2)C1)CC(F)F ZINC000865549697 733225417 /nfs/dbraw/zinc/22/54/17/733225417.db2.gz UBINHQRVRVKZLU-SLTAFYQDSA-N 2 0 361.477 3.141 20 0 FGADRP C[C@@H]([NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000865818558 733274815 /nfs/dbraw/zinc/27/48/15/733274815.db2.gz CEBWLRMNXCWTDO-WBVHZDCISA-N 2 0 353.551 3.484 20 0 FGADRP C[NH+](C)C[C@@H]1CN(c2nc(Cl)cc3cc(F)ccc32)C[C@H]1C[NH+](C)C ZINC000866009975 733300786 /nfs/dbraw/zinc/30/07/86/733300786.db2.gz BSVJNKDONKNEES-HUUCEWRRSA-N 2 0 364.896 3.203 20 0 FGADRP CC1CC[NH+](CCCCNC(=O)NC2CCC(C)([NH+](C)C)CC2)CC1 ZINC000868103955 733557076 /nfs/dbraw/zinc/55/70/76/733557076.db2.gz YSUNTIMZNFICJK-UHFFFAOYSA-N 2 0 352.567 3.061 20 0 FGADRP C[N@@H+]1CCC[C@H](C[NH2+][C@H](c2cccc(Br)c2)[C@H]2CCOC2)C1 ZINC000872035296 735580176 /nfs/dbraw/zinc/58/01/76/735580176.db2.gz LODUDFDKYDGEHP-UWWQBHOKSA-N 2 0 367.331 3.458 20 0 FGADRP C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+][C@@H](C)C1CC[NH2+]CC1 ZINC000873220845 735739668 /nfs/dbraw/zinc/73/96/68/735739668.db2.gz VEHJEEFMNDPCAN-CABCVRRESA-N 2 0 351.922 3.055 20 0 FGADRP Brc1cccc2c1CC[C@H]2[NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873292215 735747041 /nfs/dbraw/zinc/74/70/41/735747041.db2.gz PNAISQMLTCIGGY-SUMWQHHRSA-N 2 0 365.315 3.185 20 0 FGADRP Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)/C=C/[C@H]1CCC[NH2+]C1 ZINC000876743483 736139120 /nfs/dbraw/zinc/13/91/20/736139120.db2.gz DHVXKPKQEIIELF-IWAYRVGRSA-N 2 0 359.539 3.038 20 0 FGADRP CCO[P@](C)(=O)CC[C@H](C)[NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000877065304 736183137 /nfs/dbraw/zinc/18/31/37/736183137.db2.gz YPADNWSIIVNZBJ-BVZFJXPGSA-N 2 0 373.522 3.249 20 0 FGADRP CCN1CCC([N@@H+]2CCCN(Cc3c(Cl)cncc3Cl)CC2)CC1 ZINC000877595433 736690440 /nfs/dbraw/zinc/69/04/40/736690440.db2.gz AFLRNFMWSJKVMM-UHFFFAOYSA-N 2 0 371.356 3.380 20 0 FGADRP CC(C)[C@@H]([NH2+]C1CC[NH+](CC(C)(C)O)CC1)[C@H](O)c1ccc(Cl)cc1 ZINC000877639906 736698136 /nfs/dbraw/zinc/69/81/36/736698136.db2.gz RPHNASMNJRZHCE-RTBURBONSA-N 2 0 368.949 3.223 20 0 FGADRP C[C@@H](C[NH+]1CCC2(CC[NH+](C)CC2)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000877684723 736704496 /nfs/dbraw/zinc/70/44/96/736704496.db2.gz UUZMVWFOWCLSPX-KRWDZBQOSA-N 2 0 364.555 3.001 20 0 FGADRP C[C@H]([NH2+]CC(=O)NC1CC[NH+](C)CC1)c1ccc(Cl)c2ccccc21 ZINC000878436388 736835263 /nfs/dbraw/zinc/83/52/63/736835263.db2.gz JADBRQJZUHVOPG-AWEZNQCLSA-N 2 0 359.901 3.354 20 0 FGADRP C[NH+]1CCN(C2CC[NH+](CCSc3ccc(Cl)cc3)CC2)CC1 ZINC000879591876 737012296 /nfs/dbraw/zinc/01/22/96/737012296.db2.gz UUSIIGFEWHQBAJ-UHFFFAOYSA-N 2 0 353.963 3.144 20 0 FGADRP Cc1ccc(NC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c(Cl)c1C ZINC000879929216 737087257 /nfs/dbraw/zinc/08/72/57/737087257.db2.gz URUUNIHRGVYEIQ-HZPDHXFCSA-N 2 0 366.937 3.160 20 0 FGADRP [NH3+][C@H]1CCO[C@H](C2CC[NH+](CCc3ccccc3Br)CC2)C1 ZINC000883433118 737566083 /nfs/dbraw/zinc/56/60/83/737566083.db2.gz IOVWKIUPOIVHPP-WMZOPIPTSA-N 2 0 367.331 3.210 20 0 FGADRP CC[NH+](CC)CCC[C@H](C)NC(=O)[C@H]([NH3+])c1ccc(Br)cc1 ZINC000884176285 737640823 /nfs/dbraw/zinc/64/08/23/737640823.db2.gz BHEXDYPAHWSVED-XJKSGUPXSA-N 2 0 370.335 3.076 20 0 FGADRP C([NH2+][C@@H]1CCOC2(CCCCC2)C1)C1CC[NH+](C2CCOCC2)CC1 ZINC000886155562 739224342 /nfs/dbraw/zinc/22/43/42/739224342.db2.gz IOSBOCQSYTYPBY-LJQANCHMSA-N 2 0 350.547 3.349 20 0 FGADRP CC1([NH+]2CCCC2)CCC([NH2+]CCCS(=O)(=O)c2ccccc2)CC1 ZINC000886514068 739264070 /nfs/dbraw/zinc/26/40/70/739264070.db2.gz FMDNNXXHKVFACI-UHFFFAOYSA-N 2 0 364.555 3.237 20 0 FGADRP C[S@](=O)[C@@H]1CCC[C@H]([NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)C1 ZINC000886636085 739277917 /nfs/dbraw/zinc/27/79/17/739277917.db2.gz FWOAIFTYBMEPGV-JONKECSESA-N 2 0 360.567 3.319 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@]2(C)CCOC3(CCC3)C2)[C@@H](C)C1 ZINC000886774880 739296704 /nfs/dbraw/zinc/29/67/04/739296704.db2.gz XHMYVLDSNRUOSX-UFYCRDLUSA-N 2 0 352.563 3.452 20 0 FGADRP CC[NH+](CC)Cc1ccccc1C[NH2+][C@@H]1CCC2(C[C@@H]1F)OCCO2 ZINC000892465742 740003607 /nfs/dbraw/zinc/00/36/07/740003607.db2.gz GJYCVJFVUDJWTN-RBUKOAKNSA-N 2 0 350.478 3.252 20 0 FGADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CC[C@H](C(=O)OCC)[C@@H](C(F)(F)F)C2)C1 ZINC000892668124 740029302 /nfs/dbraw/zinc/02/93/02/740029302.db2.gz HFTBRSACZNTBAL-WCVJEAGWSA-N 2 0 364.452 3.218 20 0 FGADRP C[C@@H]1C[N@H+](Cc2cc3c(cccc3O)s2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000894076960 742235234 /nfs/dbraw/zinc/23/52/34/742235234.db2.gz REYFHSSWWLMLOM-CRAIPNDOSA-N 2 0 359.539 3.065 20 0 FGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]Cc2cc3ccnc(Cl)c3s2)CC1 ZINC000894238219 742256780 /nfs/dbraw/zinc/25/67/80/742256780.db2.gz QWZODNRWOLWONG-AWEZNQCLSA-N 2 0 366.962 3.313 20 0 FGADRP CC[NH+]1CCC(N2CCC[N@H+](CC3(CCCOC)CCC3)CC2)CC1 ZINC000894978912 742359373 /nfs/dbraw/zinc/35/93/73/742359373.db2.gz QFYFLVIHVKXYPC-UHFFFAOYSA-N 2 0 351.579 3.075 20 0 FGADRP Cc1csc(C[C@@H]2CCC[N@H+](Cc3ccnn3-c3ccncc3)C2)n1 ZINC000895822012 742457549 /nfs/dbraw/zinc/45/75/49/742457549.db2.gz MEUMARKLFBYAOA-INIZCTEOSA-N 2 0 353.495 3.487 20 0 FGADRP CCC1([NH+]2CCC2)CC[NH+](C[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC000896059647 742489083 /nfs/dbraw/zinc/48/90/83/742489083.db2.gz ZUUKCVVDZIKDCE-CALCHBBNSA-N 2 0 351.535 3.240 20 0 FGADRP [NH3+]CCCC[C@H]([NH2+]CCCN1CCCCC1=O)c1ccc(F)cc1F ZINC000902345858 743734720 /nfs/dbraw/zinc/73/47/20/743734720.db2.gz MTJNHDLAHYTTFE-SFHVURJKSA-N 2 0 353.457 3.127 20 0 FGADRP CC(C)C[C@H]([NH2+]CC1CC[NH+](C2CCOCC2)CC1)C1CCOCC1 ZINC000903047134 743799677 /nfs/dbraw/zinc/79/96/77/743799677.db2.gz HZOFYTABVJSQKH-NRFANRHFSA-N 2 0 352.563 3.308 20 0 FGADRP FC(F)(F)c1ccc(OCC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)nc1 ZINC000903123713 743809807 /nfs/dbraw/zinc/80/98/07/743809807.db2.gz FDZMRCNOTFJOMN-VHRNVKJDSA-N 2 0 355.404 3.227 20 0 FGADRP Cn1cc(C[NH2+]C2CCC(C)([NH+]3CCCC3)CC2)c(Br)n1 ZINC000903187295 743818955 /nfs/dbraw/zinc/81/89/55/743818955.db2.gz ACDSFACDBAXONG-UHFFFAOYSA-N 2 0 355.324 3.069 20 0 FGADRP C[C@@H](CS(=O)(=O)c1ccccc1)[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000903253694 743830961 /nfs/dbraw/zinc/83/09/61/743830961.db2.gz OHDIAPRYSGQVDI-ZJRDLVKKSA-N 2 0 364.555 3.236 20 0 FGADRP C[C@H]([NH2+]CCOC1CCSCC1)c1cccc(OCC[NH+](C)C)c1 ZINC000903444714 743852434 /nfs/dbraw/zinc/85/24/34/743852434.db2.gz QLHXVKXEEZMLLJ-INIZCTEOSA-N 2 0 352.544 3.190 20 0 FGADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@@H+]2C[C@@H]2[C@@H](c3ccccc3)C2(F)F)C1 ZINC000903460832 743853157 /nfs/dbraw/zinc/85/31/57/743853157.db2.gz JOXUAFRSLZWDQU-FVVUREQNSA-N 2 0 350.453 3.396 20 0 FGADRP [NH3+][C@H]1CCO[C@H](C2CC[NH+](C[C@@H]3[C@@H](c4ccccc4)C3(F)F)CC2)C1 ZINC000903460186 743853265 /nfs/dbraw/zinc/85/32/65/743853265.db2.gz ZJSOBZAGBCVSLS-ZSYWTGECSA-N 2 0 350.453 3.254 20 0 FGADRP Fc1ccc(C2CC[NH+](C[C@H]3CC4(CO3)CC[NH2+]CC4)CC2)cc1F ZINC000903730584 743879747 /nfs/dbraw/zinc/87/97/47/743879747.db2.gz XVUPTIUHZFGNPK-QGZVFWFLSA-N 2 0 350.453 3.303 20 0 FGADRP CCc1csc(CC2CC[NH+](C[C@@H]3CC4(CO3)CC[NH2+]CC4)CC2)n1 ZINC000903769024 743881798 /nfs/dbraw/zinc/88/17/98/743881798.db2.gz XUBYYEVNQPQBFM-SFHVURJKSA-N 2 0 363.571 3.119 20 0 FGADRP [NH3+][C@H](C[NH2+]CC1(c2cccc(C(F)(F)F)c2)CCOCC1)CC(F)F ZINC000903919158 743897384 /nfs/dbraw/zinc/89/73/84/743897384.db2.gz AOLJEDIPTZDYAY-AWEZNQCLSA-N 2 0 366.374 3.326 20 0 FGADRP COC[C@H]([NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cccc(Br)c1 ZINC000903937060 743900823 /nfs/dbraw/zinc/90/08/23/743900823.db2.gz AOKMDNATGLLUHE-BHJGYWERSA-N 2 0 353.304 3.257 20 0 FGADRP C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]CC[C@@H]1C[NH2+]C[C@H]1C ZINC000903973373 743907197 /nfs/dbraw/zinc/90/71/97/743907197.db2.gz AVVOOQHJTFTUAS-HZSPNIEDSA-N 2 0 357.420 3.258 20 0 FGADRP C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)Nc1ccccc1C[NH3+] ZINC000904660918 743966815 /nfs/dbraw/zinc/96/68/15/743966815.db2.gz XDQBLWOGICSFMF-UHFFFAOYSA-N 2 0 360.889 3.394 20 0 FGADRP CSC1(C[NH2+][C@@H]2CC[C@@H](CNC(=O)OC(C)(C)C)C2)CC[NH+](C)CC1 ZINC000922138023 758857775 /nfs/dbraw/zinc/85/77/75/758857775.db2.gz GGVZGEIGIZIOOB-HZPDHXFCSA-N 2 0 371.591 3.097 20 0 FGADRP C[C@@H]1CC2(C[N@@H+]1C[C@@H](O)Cc1ccccc1C(F)(F)F)CC[NH2+]CC2 ZINC000923382569 759108936 /nfs/dbraw/zinc/10/89/36/759108936.db2.gz CXKLHDQCDRYLIX-ZBFHGGJFSA-N 2 0 356.432 3.073 20 0 FGADRP C[C@H]1CC2(C[N@@H+]1C[C@H](O)Cc1ccc(C(F)(F)F)cc1)CC[NH2+]CC2 ZINC000923382345 759109117 /nfs/dbraw/zinc/10/91/17/759109117.db2.gz CGEUVJZCZXVJAI-WMLDXEAASA-N 2 0 356.432 3.073 20 0 FGADRP C[C@H](c1ccc(Br)cc1)[NH+]1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923448692 759119632 /nfs/dbraw/zinc/11/96/32/759119632.db2.gz GFNVJQLNFMHFGL-CJNGLKHVSA-N 2 0 353.304 3.340 20 0 FGADRP C[C@@H](c1ccc(Br)cc1)[NH+]1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923448691 759119801 /nfs/dbraw/zinc/11/98/01/759119801.db2.gz GFNVJQLNFMHFGL-BBRMVZONSA-N 2 0 353.304 3.340 20 0 FGADRP C[C@@H](C(=O)N(c1nccs1)C1CCCCC1)[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923501935 759133222 /nfs/dbraw/zinc/13/32/22/759133222.db2.gz XGUQEUOWDMVDER-OWCLPIDISA-N 2 0 364.559 3.114 20 0 FGADRP CCN1CC[C@H]([NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000925635963 759516146 /nfs/dbraw/zinc/51/61/46/759516146.db2.gz WETOQRYUAAQILF-BVIKNXMNSA-N 2 0 353.432 3.099 20 0 FGADRP [NH3+]CCC[C@@H]([NH2+]CCCn1cc(Br)cn1)c1ccccc1 ZINC000925674641 759522145 /nfs/dbraw/zinc/52/21/45/759522145.db2.gz SYKILTWYUREKHX-MRXNPFEDSA-N 2 0 351.292 3.106 20 0 FGADRP C[C@@H]([NH2+]CC[C@@H]1C[NH2+]C[C@H]1C)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000925797972 759544345 /nfs/dbraw/zinc/54/43/45/759544345.db2.gz IYQYZBJMWHHYGB-JFIYKMOQSA-N 2 0 364.555 3.299 20 0 FGADRP CC[C@@H]1[C@@H](C(=O)NC2CC(C[NH2+]Cc3cc(C)sc3C)C2)CC[N@@H+]1C ZINC000961854250 762753539 /nfs/dbraw/zinc/75/35/39/762753539.db2.gz CAHFQSQGQHHDBD-SOTJZCEJSA-N 2 0 363.571 3.080 20 0 FGADRP C[C@@H]1[C@H](C(=O)N(C)C2CC[NH+](Cc3ccc(Cl)cc3)CC2)CC[N@@H+]1C ZINC001005406828 765468706 /nfs/dbraw/zinc/46/87/06/765468706.db2.gz GWQHLVPXRNPHRD-DNVCBOLYSA-N 2 0 363.933 3.103 20 0 FGADRP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H](C[NH2+]Cc3csc(C)c3)C2)CC[N@@H+]1C ZINC001023996148 766047214 /nfs/dbraw/zinc/04/72/14/766047214.db2.gz VGLFJBMOQVRNTM-NZSAHSFTSA-N 2 0 363.571 3.115 20 0 FGADRP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](C[NH2+]Cc3cccc(Cl)c3)C2)CC[N@@H+]1C ZINC001026855540 766083420 /nfs/dbraw/zinc/08/34/20/766083420.db2.gz ISZIRKGVKHMVQV-YTQUADARSA-N 2 0 363.933 3.008 20 0 FGADRP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]([NH+](C)Cc3ccc(Cl)s3)C2)CC[N@@H+]1C ZINC001027417431 766093011 /nfs/dbraw/zinc/09/30/11/766093011.db2.gz YEFVEWLTLQSSOR-IIAWOOMASA-N 2 0 369.962 3.165 20 0 FGADRP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CC[NH+](Cc3cc(C)sc3C)C2)CC[N@@H+]1C ZINC001028553950 766124836 /nfs/dbraw/zinc/12/48/36/766124836.db2.gz RXVHENWRJXNYBA-YTQUADARSA-N 2 0 363.571 3.033 20 0 FGADRP CC[C@@H]1[C@@H](C(=O)N[C@@]2(C)CC[NH+](Cc3ccccc3Cl)C2)CC[N@@H+]1C ZINC001046329695 766584252 /nfs/dbraw/zinc/58/42/52/766584252.db2.gz CKUAXEWELLEORE-HQRMLTQVSA-N 2 0 363.933 3.151 20 0 FGADRP Cc1cc(Cl)ccc1C[NH+]1CC[C@@](C)(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001046331230 766586064 /nfs/dbraw/zinc/58/60/64/766586064.db2.gz HNLDFECGJWOBSW-XFQXTVEOSA-N 2 0 363.933 3.069 20 0 FGADRP O=C(NC1CC[NH+](C2CCCCC2)CC1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000176500486 257366296 /nfs/dbraw/zinc/36/62/96/257366296.db2.gz XEEICLXCPSJJEE-HXUWFJFHSA-N 2 0 362.562 3.053 20 0 FGADRP CC[NH+](CC)[C@@H](C(=O)N1CCC([C@H]2[NH2+]CC2(C)C)CC1)c1ccccc1 ZINC000579590106 505582317 /nfs/dbraw/zinc/58/23/17/505582317.db2.gz IYLQBHBXGJXSIG-WOJBJXKFSA-N 2 0 357.542 3.306 20 0 FGADRP C[C@@H]1C[C@@H]([NH3+])CCN1CC(=O)N(CCc1ccccc1)Cc1ccccc1 ZINC000579609219 505586175 /nfs/dbraw/zinc/58/61/75/505586175.db2.gz QOXVBSKMHQSKQH-KNQAVFIVSA-N 2 0 365.521 3.070 20 0 FGADRP O=C(Nc1ccc(F)cc1)[C@H](c1ccccc1)[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000576755536 505587103 /nfs/dbraw/zinc/58/71/03/505587103.db2.gz OPZIBIUZRFELBQ-UEXGIBASSA-N 2 0 367.468 3.437 20 0 FGADRP CC[C@H](C)[N@H+](C)CCNC(=O)NC[C@H]1CCCC[NH+](Cc2ccccc2)C1 ZINC000573651578 505587685 /nfs/dbraw/zinc/58/76/85/505587685.db2.gz KPPBWUZYQLRUJQ-PZJWPPBQSA-N 2 0 374.573 3.318 20 0 FGADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCCC[C@H](N2C(=O)c3ccccc3C2=O)C1 ZINC000573674958 505593559 /nfs/dbraw/zinc/59/35/59/505593559.db2.gz RPQFOADDHUKGSZ-CLWJZODNSA-N 2 0 369.509 3.091 20 0 FGADRP CCCC[N@H+](C)CC1CCN(C(=O)[C@H]2CC[NH+](Cc3ccccc3)C2)CC1 ZINC000573696187 505598918 /nfs/dbraw/zinc/59/89/18/505598918.db2.gz JUYUGHZDIMZKCX-QFIPXVFZSA-N 2 0 371.569 3.479 20 0 FGADRP Cc1cnc([C@H](C)C[NH2+]C[C@@H](O)Cn2cnc3cc(C)c(C)cc32)s1 ZINC000576817601 505601397 /nfs/dbraw/zinc/60/13/97/505601397.db2.gz MIFBUEKCGCWJRO-GDBMZVCRSA-N 2 0 358.511 3.172 20 0 FGADRP C[C@H]([NH2+][C@@H]1CCC[C@@H](N2CCCC2=O)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000570943247 505618009 /nfs/dbraw/zinc/61/80/09/505618009.db2.gz RMORGSRXXSQAFD-DFQSSKMNSA-N 2 0 373.541 3.211 20 0 FGADRP CC(C)[N@H+](C)CC1CCN(C(=O)N[C@H](C)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000576898307 505619320 /nfs/dbraw/zinc/61/93/20/505619320.db2.gz DSRDGSRZLMKASB-WIYYLYMNSA-N 2 0 374.573 3.440 20 0 FGADRP O=C(C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1)N[C@@H](c1ccccc1)C1CCCC1 ZINC000570964357 505622104 /nfs/dbraw/zinc/62/21/04/505622104.db2.gz PXHCGIRJKRVSFQ-FUDKSRODSA-N 2 0 369.553 3.356 20 0 FGADRP OC[C@H]1CCC[N@@H+]1CCCC[NH2+][C@H]1CCN(Cc2ccccc2)C2(CC2)C1 ZINC000579836223 505629911 /nfs/dbraw/zinc/62/99/11/505629911.db2.gz FUGLWPBKPYPYCM-FCHUYYIVSA-N 3 0 371.569 3.010 20 0 FGADRP [NH3+][C@@H](CCC(=O)N1CC[NH2+]C[C@@H]1c1cccc(Cl)c1)c1ccccc1 ZINC000573942171 505657305 /nfs/dbraw/zinc/65/73/05/505657305.db2.gz JFNSXISPGLYRGH-RBUKOAKNSA-N 2 0 357.885 3.293 20 0 FGADRP C[C@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2)[C@@H]1CCCOC1 ZINC000568302480 505661846 /nfs/dbraw/zinc/66/18/46/505661846.db2.gz CGMOETLUKVLWEA-KSEOMHKRSA-N 2 0 372.553 3.320 20 0 FGADRP CC(C)[NH+]1CCN([C@H]2CC[N@H+](C[C@H](C)c3cc(F)cc(F)c3)C2)CC1 ZINC000580035804 505666787 /nfs/dbraw/zinc/66/67/87/505666787.db2.gz MSAMOSRZQBIFAG-JXFKEZNVSA-N 2 0 351.485 3.169 20 0 FGADRP O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000573980780 505666144 /nfs/dbraw/zinc/66/61/44/505666144.db2.gz ZBNRHEPSPXASPR-WOJBJXKFSA-N 2 0 367.493 3.055 20 0 FGADRP CC[N@@H+]1CC[C@H]([NH+](C)CCC(=O)Nc2cc(Cl)ccc2OC)[C@H](C)C1 ZINC000081095513 493831623 /nfs/dbraw/zinc/83/16/23/493831623.db2.gz CBCSJPHYZLMAGG-PBHICJAKSA-N 2 0 367.921 3.339 20 0 FGADRP CC[NH+]1CCC(CCNC(=O)c2oc3ccccc3c2C[NH+](C)C)CC1 ZINC000076198399 493842322 /nfs/dbraw/zinc/84/23/22/493842322.db2.gz CEAPOEIWNHPMTM-UHFFFAOYSA-N 2 0 357.498 3.346 20 0 FGADRP COc1ccc(C[NH2+]Cc2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1O ZINC000048816623 493847502 /nfs/dbraw/zinc/84/75/02/493847502.db2.gz WZBJBXLQPDTEHH-CALCHBBNSA-N 2 0 370.493 3.300 20 0 FGADRP CC1CC[NH+](Cc2ccccc2CNC(=O)NC[C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000574060079 505684187 /nfs/dbraw/zinc/68/41/87/505684187.db2.gz ROABKHVLZOZDRZ-WIYYLYMNSA-N 2 0 372.557 3.235 20 0 FGADRP O=C(N[C@@H]1CC[N@H+](CC2CCCC2)C1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000081293809 493862117 /nfs/dbraw/zinc/86/21/17/493862117.db2.gz MLFNGCRMAKBBKB-JOCHJYFZSA-N 2 0 369.553 3.279 20 0 FGADRP O=C(N[C@H]1CC[N@H+](CC2CCCC2)C1)c1cccc(C[NH+]2CCCC2)c1 ZINC000081290844 493862452 /nfs/dbraw/zinc/86/24/52/493862452.db2.gz PQSRQEHKINKBSF-NRFANRHFSA-N 2 0 355.526 3.277 20 0 FGADRP CC[NH+]1CCC(N(C)Cc2cc(Br)ccc2C(=O)OC)CC1 ZINC000568406075 505686718 /nfs/dbraw/zinc/68/67/18/505686718.db2.gz KVLOZTQGMMQDQU-UHFFFAOYSA-N 2 0 369.303 3.152 20 0 FGADRP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+]([C@H](C)C2CC2)C2CC2)CC1 ZINC000051881710 493991874 /nfs/dbraw/zinc/99/18/74/493991874.db2.gz UVALZMXQRZXKJY-GOSISDBHSA-N 2 0 369.553 3.339 20 0 FGADRP C[C@H]([NH2+]CCC[NH+]1CCCC1)c1ccc(I)cc1 ZINC000037229457 494102635 /nfs/dbraw/zinc/10/26/35/494102635.db2.gz HOJUKHKGYPZJLF-ZDUSSCGKSA-N 2 0 358.267 3.428 20 0 FGADRP C[C@H](NC(=O)N1CCC[N@H+](Cc2ccccc2)C[C@@H]1C)C(C)(C)C[NH+](C)C ZINC000085364899 494117267 /nfs/dbraw/zinc/11/72/67/494117267.db2.gz LTQLEBMHOZIVOR-OALUTQOASA-N 2 0 374.573 3.269 20 0 FGADRP CC(C)[C@@H](C[NH2+][C@H](C)c1sccc1Br)N1CCN(C)CC1 ZINC000040770320 494146276 /nfs/dbraw/zinc/14/62/76/494146276.db2.gz XKGCULNWRQJGSM-UKRRQHHQSA-N 2 0 374.392 3.433 20 0 FGADRP CCC[N@@H+]1CC[C@@H](CNC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000054509979 494242231 /nfs/dbraw/zinc/24/22/31/494242231.db2.gz DDLIGDJJIOQXJY-NRFANRHFSA-N 2 0 372.557 3.204 20 0 FGADRP C[C@@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@H+](C)CCc1cccs1 ZINC000072800718 494252815 /nfs/dbraw/zinc/25/28/15/494252815.db2.gz POYXEELIBIHNPG-HKUYNNGSSA-N 2 0 371.550 3.002 20 0 FGADRP CCC[NH+]1CCN(c2ccccc2C[NH2+]CCC2CC[NH+](C)CC2)CC1 ZINC000088703076 494256637 /nfs/dbraw/zinc/25/66/37/494256637.db2.gz JVFRKAIXPVAVIK-UHFFFAOYSA-N 3 0 358.574 3.040 20 0 FGADRP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000065992743 494266892 /nfs/dbraw/zinc/26/68/92/494266892.db2.gz JDWDPFKXLDLLLT-HSALFYBXSA-N 2 0 371.569 3.381 20 0 FGADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)N[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000043239801 494278652 /nfs/dbraw/zinc/27/86/52/494278652.db2.gz LHTZGGZSWOQVIH-TZIWHRDSSA-N 2 0 372.557 3.072 20 0 FGADRP CCc1ccc(-c2ccc(C[NH2+]C[C@@H](C)CN3CC[NH+](C)CC3)o2)cc1 ZINC000072922422 494283885 /nfs/dbraw/zinc/28/38/85/494283885.db2.gz CSWSLGFNIIYGRU-GOSISDBHSA-N 2 0 355.526 3.482 20 0 FGADRP CCC[NH+]1CCC(N(C)C(=O)NCc2ccccc2C[NH+]2CCCC2)CC1 ZINC000066175981 494283831 /nfs/dbraw/zinc/28/38/31/494283831.db2.gz ZLACCLJKZPOHAB-UHFFFAOYSA-N 2 0 372.557 3.298 20 0 FGADRP CCC[NH+]1CCC(N(C)C(=O)N[C@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)CC1 ZINC000066187774 494285815 /nfs/dbraw/zinc/28/58/15/494285815.db2.gz QHJRFBDJKPOTND-ICSRJNTNSA-N 2 0 372.557 3.338 20 0 FGADRP O=C(NCC1CCN(c2cc[nH+]cc2)CC1)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000089393329 494298926 /nfs/dbraw/zinc/29/89/26/494298926.db2.gz RYVKJJLHCLHPIS-IBGZPJMESA-N 2 0 370.541 3.069 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)NCCC2CC[NH+](C)CC2)C1 ZINC000073214533 494339631 /nfs/dbraw/zinc/33/96/31/494339631.db2.gz NPXMDFNFIQYOPI-QUCCMNQESA-N 2 0 364.578 3.014 20 0 FGADRP CC1(C)CC(NC(=O)NC2CC[NH+](Cc3ccccc3)CC2)CC(C)(C)[NH2+]1 ZINC000045029818 494392274 /nfs/dbraw/zinc/39/22/74/494392274.db2.gz ZOOUEXGAKHYBJI-UHFFFAOYSA-N 2 0 372.557 3.259 20 0 FGADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)NCCC[NH2+]C2CCCCC2)C1 ZINC000079116364 494405517 /nfs/dbraw/zinc/40/55/17/494405517.db2.gz YCODHHFPRMAUCN-GOSISDBHSA-N 2 0 352.567 3.110 20 0 FGADRP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)NCCC[NH+](C)C1CCCCC1 ZINC000073661182 494408757 /nfs/dbraw/zinc/40/87/57/494408757.db2.gz PPEPVOIBSHZMEZ-LJQANCHMSA-N 2 0 352.567 3.157 20 0 FGADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)N(C)CC[C@@H]2CCCC[NH+]2C)C1 ZINC000073677255 494411367 /nfs/dbraw/zinc/41/13/67/494411367.db2.gz SWASCMIOQHIRQO-MOPGFXCFSA-N 2 0 352.567 3.014 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C ZINC000079221368 494422023 /nfs/dbraw/zinc/42/20/23/494422023.db2.gz AXENATINCZPQNG-TZIWHRDSSA-N 2 0 374.573 3.113 20 0 FGADRP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCCC[C@@H]2CCc2ccccc2)CC1 ZINC000090010460 494428315 /nfs/dbraw/zinc/42/83/15/494428315.db2.gz JOPLKTGFZCPRTC-OAQYLSRUSA-N 2 0 357.542 3.074 20 0 FGADRP C[C@H](CCc1cccc(F)c1)[NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000090038681 494432217 /nfs/dbraw/zinc/43/22/17/494432217.db2.gz BFCDFMLTWYQHHJ-QGZVFWFLSA-N 2 0 371.500 3.228 20 0 FGADRP Cc1ccc([C@H](CNC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)[NH+]2CCCC2)cc1 ZINC000073919030 494449189 /nfs/dbraw/zinc/44/91/89/494449189.db2.gz POAAKTTYIJRNHP-HKBOAZHASA-N 2 0 370.541 3.010 20 0 FGADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)NCC[NH+]1CCCC[C@H]1C ZINC000045789879 494462235 /nfs/dbraw/zinc/46/22/35/494462235.db2.gz KGFXSZJSAXVCSU-GOSISDBHSA-N 2 0 360.546 3.200 20 0 FGADRP C[C@H]([NH2+]CCOc1ncccc1Cl)c1cccc(OCC[NH+](C)C)c1 ZINC000090408597 494463694 /nfs/dbraw/zinc/46/36/94/494463694.db2.gz CNSVNRGIPPIBDX-HNNXBMFYSA-N 2 0 363.889 3.405 20 0 FGADRP O[C@@H]1CCCC[C@H]1[NH+]1CCC(NC2CC[NH+](C3CCCCC3)CC2)CC1 ZINC000090525257 494477761 /nfs/dbraw/zinc/47/77/61/494477761.db2.gz KVHLPMLNPBUJPC-FGZHOGPDSA-N 2 0 363.590 3.141 20 0 FGADRP COc1cccc(C[C@H]([NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)C2CC2)c1 ZINC000090523823 494478091 /nfs/dbraw/zinc/47/80/91/494478091.db2.gz WSOPXFOSSFBTDV-VABKMULXSA-N 2 0 372.553 3.374 20 0 FGADRP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]C[C@@H](c1ccccc1)C(C)(C)CO ZINC000090658129 494491737 /nfs/dbraw/zinc/49/17/37/494491737.db2.gz GKPDMZSHNGMYPZ-GBAJDQEWSA-N 2 0 374.569 3.268 20 0 FGADRP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C1CC[NH+](C(C)C)CC1 ZINC000074220890 494500248 /nfs/dbraw/zinc/50/02/48/494500248.db2.gz AMBDZGDIXGYRLL-NRFANRHFSA-N 2 0 371.569 3.477 20 0 FGADRP C[C@@H](C(=O)NCC1CC[NH+](Cc2cccs2)CC1)[NH+]1CCCCCC1 ZINC000074249761 494504064 /nfs/dbraw/zinc/50/40/64/494504064.db2.gz CIQNTEKJYVPDJK-KRWDZBQOSA-N 2 0 363.571 3.341 20 0 FGADRP CC[C@H](C(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1)[NH+](CC)CC ZINC000574237725 505727145 /nfs/dbraw/zinc/72/71/45/505727145.db2.gz UREYGUHRULNIOU-SJLPKXTDSA-N 2 0 351.560 3.197 20 0 FGADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NC[C@H]1CC[N@@H+](C(C)C)C1 ZINC000067282516 494507732 /nfs/dbraw/zinc/50/77/32/494507732.db2.gz UWXPZGZPDURBET-HXUWFJFHSA-N 2 0 360.546 3.010 20 0 FGADRP C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000074298041 494513103 /nfs/dbraw/zinc/51/31/03/494513103.db2.gz ULHHLPFXYAIFHH-NRFANRHFSA-N 2 0 369.553 3.089 20 0 FGADRP C[NH+](C)CCC1CC[NH+](CC(=O)NCC2(c3ccccc3)CCCC2)CC1 ZINC000056522215 494519539 /nfs/dbraw/zinc/51/95/39/494519539.db2.gz BWKHVKIYJIYRAF-UHFFFAOYSA-N 2 0 371.569 3.278 20 0 FGADRP Cc1ccc([C@H](NC(=O)C[NH+]2CCC(CC[NH+](C)C)CC2)C2CC2)cc1 ZINC000056522218 494519868 /nfs/dbraw/zinc/51/98/68/494519868.db2.gz ODKXYKYTAMRGBE-QFIPXVFZSA-N 2 0 357.542 3.226 20 0 FGADRP Cc1ccc([C@@H](NC(=O)C[NH+]2CCC(CC[NH+](C)C)CC2)C2CC2)cc1 ZINC000056522219 494520005 /nfs/dbraw/zinc/52/00/05/494520005.db2.gz ODKXYKYTAMRGBE-JOCHJYFZSA-N 2 0 357.542 3.226 20 0 FGADRP C[C@@H](CNC(=O)N1CCC[N@H+](Cc2ccccc2)CC1)[NH+]1CCC[C@@H](C)C1 ZINC000046368010 494521701 /nfs/dbraw/zinc/52/17/01/494521701.db2.gz OTTAHUWOYGKWJP-UXHICEINSA-N 2 0 372.557 3.024 20 0 FGADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)N[C@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000067409141 494534283 /nfs/dbraw/zinc/53/42/83/494534283.db2.gz ALSUTSUMDGYXDH-RBUKOAKNSA-N 2 0 374.573 3.400 20 0 FGADRP C[C@@H](C[NH2+][C@@H](C)c1ccc(OC(F)(F)F)cc1)CN1CC[NH+](C)CC1 ZINC000121076156 494584072 /nfs/dbraw/zinc/58/40/72/494584072.db2.gz ICSDTOBGFJSOKQ-GJZGRUSLSA-N 2 0 359.436 3.119 20 0 FGADRP CC[NH+]1CCN(c2ccccc2C[N@H+](C)Cc2ccc(O)c(OC)c2)CC1 ZINC000125984370 494596421 /nfs/dbraw/zinc/59/64/21/494596421.db2.gz YTUPOTFOWYPGSB-UHFFFAOYSA-N 2 0 369.509 3.175 20 0 FGADRP CC(C)CN(CC[NH+](C)C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000080164823 494619910 /nfs/dbraw/zinc/61/99/10/494619910.db2.gz PCWKGWVPBMTWJP-TZIWHRDSSA-N 2 0 374.573 3.269 20 0 FGADRP CC[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1CC(=O)NC1CC[NH+](CC)CC1 ZINC000074992083 494670015 /nfs/dbraw/zinc/67/00/15/494670015.db2.gz MLEFURVPYZZXHG-NHCUHLMSSA-N 2 0 357.542 3.245 20 0 FGADRP COc1cc(C[NH+]2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc(OC)c1 ZINC000092587258 494678184 /nfs/dbraw/zinc/67/81/84/494678184.db2.gz MQTVJJRPZBGHGR-CALCHBBNSA-N 2 0 362.514 3.025 20 0 FGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092693453 494714821 /nfs/dbraw/zinc/71/48/21/494714821.db2.gz WLNUAMQVDOAHGG-HXUWFJFHSA-N 2 0 358.530 3.021 20 0 FGADRP C[C@@H](C[NH2+][C@@H]1CCCc2ccc(Br)cc21)N1CC[NH+](C)CC1 ZINC000092746459 494735783 /nfs/dbraw/zinc/73/57/83/494735783.db2.gz ZFGFLVSHROIZRP-KBXCAEBGSA-N 2 0 366.347 3.052 20 0 FGADRP O=C(Nc1cccc(C[NH+]2CCSCC2)c1)[C@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC000080610605 494745357 /nfs/dbraw/zinc/74/53/57/494745357.db2.gz BLUWDRXZEXYDIV-PKOBYXMFSA-N 2 0 359.539 3.048 20 0 FGADRP Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)[C@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC000080611591 494746355 /nfs/dbraw/zinc/74/63/55/494746355.db2.gz GTWBAKDBPFSDLN-OALUTQOASA-N 2 0 373.566 3.357 20 0 FGADRP COCC[N@H+](C)CCCC1CC[NH+](C[C@@H]2CCCCN2C(C)C)CC1 ZINC000580338177 505735823 /nfs/dbraw/zinc/73/58/23/505735823.db2.gz MLGVIDDEWYLRBD-NRFANRHFSA-N 2 0 353.595 3.320 20 0 FGADRP C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccc(C[NH+](C)C)cc1 ZINC000116385052 494771776 /nfs/dbraw/zinc/77/17/76/494771776.db2.gz RMRZZYXQLXPUDX-GCJKJVERSA-N 2 0 352.526 3.143 20 0 FGADRP C[NH+](C)CC[C@@H](NC(=O)NC[C@H](c1ccco1)[NH+]1CCCC1)C(C)(C)C ZINC000116413017 494777466 /nfs/dbraw/zinc/77/74/66/494777466.db2.gz ULLGACXVLLKCKV-SJLPKXTDSA-N 2 0 364.534 3.082 20 0 FGADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)NCC1([NH+](C)C)CCCC1 ZINC000047835200 494781800 /nfs/dbraw/zinc/78/18/00/494781800.db2.gz PFDTVXMFCWNBPG-UHFFFAOYSA-N 2 0 360.546 3.200 20 0 FGADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H]2CCCOc3cc4c(cc32)CCCC4)CC1 ZINC000126552814 494787314 /nfs/dbraw/zinc/78/73/14/494787314.db2.gz FIWILAIFQWWTLH-GCJKJVERSA-N 2 0 371.569 3.395 20 0 FGADRP C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)NC3CC[NH+](C)CC3)cc2)C1 ZINC000047886758 494788117 /nfs/dbraw/zinc/78/81/17/494788117.db2.gz CKIKBZCSIKFXSC-ROUUACIJSA-N 2 0 372.557 3.058 20 0 FGADRP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)NC[C@H](C)C[NH+]2CCCC2)CC1 ZINC000116533740 494810123 /nfs/dbraw/zinc/81/01/23/494810123.db2.gz ISOUQBWDUXSMDJ-RBUKOAKNSA-N 2 0 372.557 3.243 20 0 FGADRP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)NCCC2CC[NH+](C)CC2)CC1 ZINC000116545041 494812434 /nfs/dbraw/zinc/81/24/34/494812434.db2.gz ZXFRIEGAXUNFSD-SFHVURJKSA-N 2 0 372.557 3.243 20 0 FGADRP COc1cc([C@@H](C)[NH2+]C[C@@H](C)C[NH+]2CCCCC2)cc(OC)c1OC ZINC000121588712 494812591 /nfs/dbraw/zinc/81/25/91/494812591.db2.gz VZADVIQGYLGSKJ-HZPDHXFCSA-N 2 0 350.503 3.485 20 0 FGADRP C[NH+](C)CCC1CC[NH+](Cc2csc(-c3ccc(C(N)=O)cc3)n2)CC1 ZINC000121611518 494820034 /nfs/dbraw/zinc/82/00/34/494820034.db2.gz MDVCKOUCBHBFAO-UHFFFAOYSA-N 2 0 372.538 3.073 20 0 FGADRP CN(C)C(=O)c1cccc(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)c1 ZINC000121616718 494820446 /nfs/dbraw/zinc/82/04/46/494820446.db2.gz ARNNIZRPOKGOGZ-UHFFFAOYSA-N 2 0 357.542 3.476 20 0 FGADRP Cc1ncc([C@H](C)[NH2+][C@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)c(C)n1 ZINC000126695777 494820903 /nfs/dbraw/zinc/82/09/03/494820903.db2.gz CVWCHXVSLABIGQ-CABCVRRESA-N 2 0 371.504 3.396 20 0 FGADRP CC(C)(C)OC(=O)N1CCC([NH2+]CC2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000093116620 494827007 /nfs/dbraw/zinc/82/70/07/494827007.db2.gz ZYUJTFDSELLUNU-UHFFFAOYSA-N 2 0 374.529 3.287 20 0 FGADRP C[C@@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]CC(C)(C)C[NH+](C)C ZINC000132155223 494829894 /nfs/dbraw/zinc/82/98/94/494829894.db2.gz SXSFMYAFDLLBEW-HNNXBMFYSA-N 2 0 353.938 3.254 20 0 FGADRP C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]CC(C)(C)C[NH+](C)C ZINC000132155442 494830194 /nfs/dbraw/zinc/83/01/94/494830194.db2.gz SXSFMYAFDLLBEW-OAHLLOKOSA-N 2 0 353.938 3.254 20 0 FGADRP CCc1cc(OC)ccc1C[NH2+][C@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000568651832 505745758 /nfs/dbraw/zinc/74/57/58/505745758.db2.gz BGJSGWVZNHWROL-HSZRJFAPSA-N 2 0 367.537 3.336 20 0 FGADRP CCC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1 ZINC000116817435 494857282 /nfs/dbraw/zinc/85/72/82/494857282.db2.gz XMPYLIOXYOVTQQ-INIZCTEOSA-N 2 0 353.894 3.093 20 0 FGADRP CC(C)[C@H](C[NH2+][C@H]1CCCOc2c(Cl)cccc21)N1CC[NH+](C)CC1 ZINC000132439312 494874067 /nfs/dbraw/zinc/87/40/67/494874067.db2.gz ROOPKYHRKXOAOK-OALUTQOASA-N 2 0 365.949 3.415 20 0 FGADRP CCC[NH+]1CCN(c2ccccc2C[N@@H+]2CCC[C@@H](COCC)C2)CC1 ZINC000093419172 494889989 /nfs/dbraw/zinc/88/99/89/494889989.db2.gz ZGHFMHLOYDRJSX-HXUWFJFHSA-N 2 0 359.558 3.467 20 0 FGADRP C[C@H]1C[C@H](NC(=O)NC2CC[NH+](C(C)(C)C)CC2)C[N@@H+]1Cc1ccccc1 ZINC000127291503 494922958 /nfs/dbraw/zinc/92/29/58/494922958.db2.gz PEIPOFNZBMHUIU-PXNSSMCTSA-N 2 0 372.557 3.212 20 0 FGADRP Cc1ccccc1C[NH+]1CCC(NC(=O)[C@@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000122333076 494958800 /nfs/dbraw/zinc/95/88/00/494958800.db2.gz OMSPRCKNDICELG-CEXWTWQISA-N 2 0 357.542 3.337 20 0 FGADRP OC[C@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21)Cc1ccco1 ZINC000571514005 505751915 /nfs/dbraw/zinc/75/19/15/505751915.db2.gz MHTPPQAZZACBTH-MLDBQTBOSA-N 2 0 368.521 3.463 20 0 FGADRP C[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)c1ccc(OC(F)F)cc1 ZINC000133097934 494968621 /nfs/dbraw/zinc/96/86/21/494968621.db2.gz MJCDXIOSRVLDTQ-HUUCEWRRSA-N 2 0 354.441 3.440 20 0 FGADRP Cc1ccc(F)c(N2CCC[C@H]([NH+]3CCC(CC[NH+](C)C)CC3)C2=O)c1 ZINC000118532702 495007024 /nfs/dbraw/zinc/00/70/24/495007024.db2.gz ICTTXYIYOHLBEP-IBGZPJMESA-N 2 0 361.505 3.293 20 0 FGADRP C[C@@H](C(=O)N1CCC(C)CC1)[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000110914778 495021357 /nfs/dbraw/zinc/02/13/57/495021357.db2.gz FUJSCHYIPDRBHI-FQEVSTJZSA-N 2 0 371.569 3.477 20 0 FGADRP C[C@@H]1CSCC[NH+](Cc2cncc(C[N@H+]3CCSC[C@@H](C)C3)c2)C1 ZINC000577577876 505756310 /nfs/dbraw/zinc/75/63/10/505756310.db2.gz WDPSLXRNIUBEJN-IRXDYDNUSA-N 2 0 365.612 3.451 20 0 FGADRP CC[NH+](CC)[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000111090114 495037997 /nfs/dbraw/zinc/03/79/97/495037997.db2.gz GSTLMSLOZUJYOX-VXKWHMMOSA-N 2 0 365.521 3.460 20 0 FGADRP CC[NH+]1CCC(CNC(=O)NCc2ccccc2C[N@H+](C)C(C)C)CC1 ZINC000571540475 505758065 /nfs/dbraw/zinc/75/80/65/505758065.db2.gz XASOFVAUAKGMLC-UHFFFAOYSA-N 2 0 360.546 3.058 20 0 FGADRP c1ccc(-c2cccc(C[NH+]3CCC(C[NH+]4CCOCC4)CC3)c2)nc1 ZINC000134112617 495107976 /nfs/dbraw/zinc/10/79/76/495107976.db2.gz LEQMCQWVEWRYGB-UHFFFAOYSA-N 2 0 351.494 3.293 20 0 FGADRP [NH3+]C[C@H](Cc1ccccc1)[C@H]1CCCCN1C(=O)C1CC[NH+](C2CC2)CC1 ZINC000577601437 505761778 /nfs/dbraw/zinc/76/17/78/505761778.db2.gz IYBGCRYQTHGJTN-RBBKRZOGSA-N 2 0 369.553 3.060 20 0 FGADRP CC(C)[NH2+]C1CCN(C(=O)NC[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC000119386442 495156594 /nfs/dbraw/zinc/15/65/94/495156594.db2.gz PKVVDRNBFYQCEN-ICSRJNTNSA-N 2 0 372.557 3.069 20 0 FGADRP C[C@H]1CN(C(C)(C)C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)C[C@H](C)O1 ZINC000119485126 495175918 /nfs/dbraw/zinc/17/59/18/495175918.db2.gz RPCXXTDZMZSAGG-PMACEKPBSA-N 2 0 373.585 3.171 20 0 FGADRP C[C@@H]([NH2+][C@H]1CCN(c2ccccc2)C1=O)c1cccc(OCC[NH+](C)C)c1 ZINC000128996160 495179176 /nfs/dbraw/zinc/17/91/76/495179176.db2.gz UNINYPLFGSEYTF-UTKZUKDTSA-N 2 0 367.493 3.083 20 0 FGADRP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)NC[C@]1(C)CCC[NH+]1Cc1ccccc1 ZINC000119629178 495205943 /nfs/dbraw/zinc/20/59/43/495205943.db2.gz XWVMPXZMLUZFNB-CBQOVEMMSA-N 2 0 372.557 3.023 20 0 FGADRP CC[NH+](CC)CCCNC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000103297080 495215009 /nfs/dbraw/zinc/21/50/09/495215009.db2.gz KCSZBGPURBEUNV-IBGZPJMESA-N 2 0 352.567 3.016 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)NCCC1CC[NH+](C)CC1)c1ccccc1 ZINC000103298849 495215329 /nfs/dbraw/zinc/21/53/29/495215329.db2.gz CPNIHCFSQQNTNR-FQEVSTJZSA-N 2 0 360.546 3.101 20 0 FGADRP C[NH+](C)Cc1ccc(C(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)cc1 ZINC000119759572 495235048 /nfs/dbraw/zinc/23/50/48/495235048.db2.gz YTNHMDCHKNUOHG-SFHVURJKSA-N 2 0 371.550 3.452 20 0 FGADRP CN(C(=O)CC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1)c1ccccc1 ZINC000135111593 495252130 /nfs/dbraw/zinc/25/21/30/495252130.db2.gz IJYJYOPXHWDJNH-NRFANRHFSA-N 2 0 365.521 3.493 20 0 FGADRP COC[C@H]1CCC[NH+](Cc2ccc(C[N@H+]3CCC[C@H](COC)C3)cc2)C1 ZINC000112986540 495263542 /nfs/dbraw/zinc/26/35/42/495263542.db2.gz XLWTYYBIDJJXIQ-VXKWHMMOSA-N 2 0 360.542 3.403 20 0 FGADRP O=C(C[N@H+](C1CC1)[C@H]1CCCc2ccccc21)NC1CC[NH+](C2CC2)CC1 ZINC000104676289 495296221 /nfs/dbraw/zinc/29/62/21/495296221.db2.gz VJSSWPOAXFZJDV-QFIPXVFZSA-N 2 0 367.537 3.271 20 0 FGADRP CC(C)[NH+]1CCC(NC(=O)N(C)C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000113579148 495316943 /nfs/dbraw/zinc/31/69/43/495316943.db2.gz QHWKJBPSQCUSGF-UHFFFAOYSA-N 2 0 372.557 3.165 20 0 FGADRP CC1CC[NH+](CCNC(=O)N(C)C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000113591585 495318496 /nfs/dbraw/zinc/31/84/96/495318496.db2.gz DYITUQDWQBZLMS-UHFFFAOYSA-N 2 0 372.557 3.024 20 0 FGADRP C[C@H]1CCC[N@H+](CCNC(=O)N(C)C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000113591638 495318517 /nfs/dbraw/zinc/31/85/17/495318517.db2.gz BHUMMHCDNUHXEE-IBGZPJMESA-N 2 0 372.557 3.024 20 0 FGADRP COc1ccc2c(c1)[C@H]([NH2+]CC1(N3CCCCC3)CC[NH+](C)CC1)CC2 ZINC000124659707 495324482 /nfs/dbraw/zinc/32/44/82/495324482.db2.gz DGMRWYOMQPJVBI-OAQYLSRUSA-N 2 0 357.542 3.222 20 0 FGADRP C[C@H](C[NH+]1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1)c1ccccc1 ZINC000120205940 495327383 /nfs/dbraw/zinc/32/73/83/495327383.db2.gz WYRZIGPTVQFUKA-HXUWFJFHSA-N 2 0 371.569 3.494 20 0 FGADRP C[NH+](C)Cc1ccc(C(=O)N2CCC[C@H]([NH2+]Cc3ccccc3)C2)cc1 ZINC000130019356 495329264 /nfs/dbraw/zinc/32/92/64/495329264.db2.gz CDXNLYQMIFJOHI-NRFANRHFSA-N 2 0 351.494 3.143 20 0 FGADRP CC[N@@H+]1CCC[C@@H](CNC(=O)NCc2ccccc2C[NH+](C)C(C)C)C1 ZINC000105113480 495337925 /nfs/dbraw/zinc/33/79/25/495337925.db2.gz BQABTMGOZSWRSJ-SFHVURJKSA-N 2 0 360.546 3.058 20 0 FGADRP CCC[NH+]1CCC([NH2+]C2CCN(C(=O)c3ccc(OCC)cc3)CC2)CC1 ZINC000135952457 495345383 /nfs/dbraw/zinc/34/53/83/495345383.db2.gz KNGLZNDNTGZVMZ-UHFFFAOYSA-N 2 0 373.541 3.154 20 0 FGADRP CCCC[N@H+](C)CC1CCN(C(=O)NC[C@H]2CCC[NH+](C(C)C)C2)CC1 ZINC000105274773 495351434 /nfs/dbraw/zinc/35/14/34/495351434.db2.gz GKMZGFGPPKJOGM-HXUWFJFHSA-N 2 0 366.594 3.260 20 0 FGADRP CN(C)[C@@H](CNC(=O)Nc1cccc(-c2nccn2C)c1)c1ccco1 ZINC000105342942 495356639 /nfs/dbraw/zinc/35/66/39/495356639.db2.gz HWBILXDYWZWSNY-INIZCTEOSA-N 2 0 353.426 3.105 20 0 FGADRP C[NH+]1CCN(c2ccc(C[NH2+][C@H]3CCSc4ccc(F)cc43)cn2)CC1 ZINC000130443186 495392404 /nfs/dbraw/zinc/39/24/04/495392404.db2.gz LWJJFRCXNUKQOR-SFHVURJKSA-N 2 0 372.513 3.299 20 0 FGADRP C[NH+](C)[C@H](CNC(=O)NCCC[N@@H+](C)Cc1ccccc1)c1ccsc1 ZINC000105896279 495394633 /nfs/dbraw/zinc/39/46/33/495394633.db2.gz RNTDWPURRCRGOR-LJQANCHMSA-N 2 0 374.554 3.172 20 0 FGADRP COc1ccc([C@H](C)[C@H](C)[NH2+]Cc2ccc(N3CC[NH+](C)CC3)nc2)cc1 ZINC000130507344 495402412 /nfs/dbraw/zinc/40/24/12/495402412.db2.gz MYHPGWKFMODXTE-MSOLQXFVSA-N 2 0 368.525 3.124 20 0 FGADRP C[NH+]1CCN(c2cc(C[NH2+][C@H]3CC[C@@H](c4ccccc4)C3)ccn2)CC1 ZINC000130520289 495405267 /nfs/dbraw/zinc/40/52/67/495405267.db2.gz PSOCHNPWNOUFSZ-RTWAWAEBSA-N 2 0 350.510 3.259 20 0 FGADRP COc1ccc(C[NH+]2CCC(C[NH2+][C@H]3CCCc4c3cnn4C)CC2)cc1 ZINC000120690492 495436019 /nfs/dbraw/zinc/43/60/19/495436019.db2.gz WEURQIAJZZKTMJ-NRFANRHFSA-N 2 0 368.525 3.308 20 0 FGADRP C[NH+](C)CC1CCC(NC(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000138157059 495456490 /nfs/dbraw/zinc/45/64/90/495456490.db2.gz IOIPPQTVQFDTQD-XVAXZDLZSA-N 2 0 372.557 3.071 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)N[C@@H]2CC[NH+](C3CCCC3)C2)C1 ZINC000106531979 495464108 /nfs/dbraw/zinc/46/41/08/495464108.db2.gz DEFYACLYQBVQNZ-CEXWTWQISA-N 2 0 364.578 3.061 20 0 FGADRP O=C(N[C@H](C[NH+]1CCCC1)c1ccccc1)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000106530842 495464290 /nfs/dbraw/zinc/46/42/90/495464290.db2.gz RZUMEAINVLIESG-TZIWHRDSSA-N 2 0 370.541 3.140 20 0 FGADRP C[C@@H]([NH2+]C[C@H](C)CN1CC[NH+](C)CC1)c1ccc(Br)s1 ZINC000120851168 495470836 /nfs/dbraw/zinc/47/08/36/495470836.db2.gz RRYCPNYMLRVSAX-QWHCGFSZSA-N 2 0 360.365 3.045 20 0 FGADRP CC[C@H]([NH2+]C[C@H](C)CN1CC[NH+](C)CC1)c1ccccc1OC(F)F ZINC000121001211 495500733 /nfs/dbraw/zinc/50/07/33/495500733.db2.gz GWNCVHNJRATQOQ-RDJZCZTQSA-N 2 0 355.473 3.212 20 0 FGADRP CCC[NH+]1CCC(NC(=O)N(CC)Cc2ccc(C[NH+](C)C)cc2)CC1 ZINC000107329735 495525359 /nfs/dbraw/zinc/52/53/59/495525359.db2.gz QLVFTFKTRZMDKX-UHFFFAOYSA-N 2 0 360.546 3.154 20 0 FGADRP Cc1cccc(C[C@H]([NH2+]Cc2cccnc2N2CC[NH+](C)CC2)C2CC2)c1 ZINC000158529967 495531289 /nfs/dbraw/zinc/53/12/89/495531289.db2.gz UEKKUAZHDAKTON-QFIPXVFZSA-N 2 0 364.537 3.253 20 0 FGADRP C[C@@H](NC(=O)NCC(C)(C)[NH+]1CCCCC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182362734 495534069 /nfs/dbraw/zinc/53/40/69/495534069.db2.gz NPDFUKVYEODCFC-MSOLQXFVSA-N 2 0 364.578 3.203 20 0 FGADRP CC[NH+](CC)Cc1ccc(CNC(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000173557471 495587004 /nfs/dbraw/zinc/58/70/04/495587004.db2.gz VULMOYJEQOFEDH-YLJYHZDGSA-N 2 0 360.546 3.153 20 0 FGADRP C[C@H]1C[C@H](N(C)C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)CC[N@@H+]1C ZINC000173564632 495589970 /nfs/dbraw/zinc/58/99/70/495589970.db2.gz SDGYLWQRMLENRL-GHTZIAJQSA-N 2 0 372.557 3.297 20 0 FGADRP Cc1csc(=O)n1CC[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000158844603 495599610 /nfs/dbraw/zinc/59/96/10/495599610.db2.gz XRGZHHMVSMCWJO-INIZCTEOSA-N 2 0 351.560 3.195 20 0 FGADRP CC[C@@H]([NH2+]CCCC[NH+]1CCN(C)CC1)c1ccc(OC(F)F)cc1 ZINC000154423731 495612851 /nfs/dbraw/zinc/61/28/51/495612851.db2.gz OGQKVAWKBKUKCR-GOSISDBHSA-N 2 0 355.473 3.356 20 0 FGADRP CC[NH+](CC)CCCC1CCN(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000182582356 495624536 /nfs/dbraw/zinc/62/45/36/495624536.db2.gz LUFHOZFJNFCSDO-IBGZPJMESA-N 2 0 364.578 3.014 20 0 FGADRP CC1CC[NH+]([C@@H](CNC(=O)N(C)CCC[NH+](C)C)c2ccccc2)CC1 ZINC000185591273 495635864 /nfs/dbraw/zinc/63/58/64/495635864.db2.gz BFDWZYVDTNROHN-FQEVSTJZSA-N 2 0 360.546 3.053 20 0 FGADRP O=C(NCCC[NH+]1CCCCC1)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000170886111 495641159 /nfs/dbraw/zinc/64/11/59/495641159.db2.gz VSOINHURQUKSPN-HXUWFJFHSA-N 2 0 364.578 3.160 20 0 FGADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N[C@@H](C)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000182649954 495649965 /nfs/dbraw/zinc/64/99/65/495649965.db2.gz IGLTUUGPVUMWHE-IPMKNSEASA-N 2 0 364.578 3.203 20 0 FGADRP C[C@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)c1cc(F)c(F)c(F)c1 ZINC000159160712 495672827 /nfs/dbraw/zinc/67/28/27/495672827.db2.gz LZLCFDJTRYXIBM-ZDUSSCGKSA-N 2 0 364.415 3.102 20 0 FGADRP COCC[N@H+](C)CCCC1CC[NH+](Cc2nnc(-c3ccccc3)o2)CC1 ZINC000179677381 495687590 /nfs/dbraw/zinc/68/75/90/495687590.db2.gz IPRJEGCXPZRSSD-UHFFFAOYSA-N 2 0 372.513 3.307 20 0 FGADRP Cc1cc(C)cc(OC[C@H](O)C[NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000185733424 495702145 /nfs/dbraw/zinc/70/21/45/495702145.db2.gz HWUVNEYIOARJDN-QKNQBKEWSA-N 2 0 360.542 3.286 20 0 FGADRP CC[NH+](CC)CCCNC(=O)C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000150993531 495705271 /nfs/dbraw/zinc/70/52/71/495705271.db2.gz SWTZSQNHHJZOSD-UHFFFAOYSA-N 2 0 365.949 3.400 20 0 FGADRP Cc1ccc([C@@H](CNC(=O)N2CC[C@H]([NH+]3CCCC3)C2)[NH+]2CCCC2)cc1 ZINC000171056915 495705878 /nfs/dbraw/zinc/70/58/78/495705878.db2.gz GNFPLPWANKVZOG-LEWJYISDSA-N 2 0 370.541 3.012 20 0 FGADRP C[NH+](C)CCN1CCC([NH2+][C@H]2CCc3ccc(OC(F)(F)F)cc32)CC1 ZINC000151003016 495707897 /nfs/dbraw/zinc/70/78/97/495707897.db2.gz CUGIVXFLHPUUAT-SFHVURJKSA-N 2 0 371.447 3.188 20 0 FGADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NCC1CC[NH+](CCC(C)C)CC1 ZINC000176584866 495709251 /nfs/dbraw/zinc/70/92/51/495709251.db2.gz LFGJGPLBHQSAKN-UXHICEINSA-N 2 0 364.578 3.013 20 0 FGADRP C[C@@H]1C[N@@H+](CC2CCN(Cc3noc(-c4ccccc4)n3)CC2)C[C@H](C)O1 ZINC000171306236 495813615 /nfs/dbraw/zinc/81/36/15/495813615.db2.gz KJQKGJFEMXHCCQ-CALCHBBNSA-N 2 0 370.497 3.058 20 0 FGADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000171313577 495816277 /nfs/dbraw/zinc/81/62/77/495816277.db2.gz LEZWNRROFQAANP-SFHVURJKSA-N 2 0 360.546 3.012 20 0 FGADRP c1nn(-c2ccncc2)c2ncnc(NC[C@@H]3CC34CCSCC4)c12 ZINC000577855761 505805720 /nfs/dbraw/zinc/80/57/20/505805720.db2.gz UURDWZKIJCFQDN-ZDUSSCGKSA-N 2 0 352.467 3.156 20 0 FGADRP COC1CC[NH+](C2(CNC(=O)CC[C@@H]([NH3+])c3ccccc3)CCCC2)CC1 ZINC000571759422 505808581 /nfs/dbraw/zinc/80/85/81/505808581.db2.gz PMPFONJDMLEBQE-HXUWFJFHSA-N 2 0 373.541 3.006 20 0 FGADRP O=C(NCCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C1CCC1 ZINC000180156048 495883607 /nfs/dbraw/zinc/88/36/07/495883607.db2.gz QHHRCKNQVITUSD-SEJPIABJSA-N 2 0 355.526 3.078 20 0 FGADRP CC[N@H+](C)[C@H](C(=O)NC1CC[NH+](CC2CCCC2)CC1)c1ccccc1 ZINC000171480566 495894665 /nfs/dbraw/zinc/89/46/65/495894665.db2.gz FQZXVIAGGSSIPN-NRFANRHFSA-N 2 0 357.542 3.450 20 0 FGADRP COc1ccccc1-c1ccc(C[NH2+]C[C@H](C)N2CC[NH+](C)CC2)cc1 ZINC000174353607 495923994 /nfs/dbraw/zinc/92/39/94/495923994.db2.gz PMSDYXKLHHUIKT-SFHVURJKSA-N 2 0 353.510 3.088 20 0 FGADRP C[C@@H]1[C@@H](NC(=O)Nc2ccc3c(c2)C[NH2+]C3)CC[N@@H+]1Cc1ccccc1 ZINC000571772385 505812064 /nfs/dbraw/zinc/81/20/64/505812064.db2.gz QKVDHYHFADAGFZ-QRWLVFNGSA-N 2 0 350.466 3.074 20 0 FGADRP C[C@@H]([NH2+]CCCN1CC[N@H+](C)C[C@@H]1c1ccccc1)c1cncc(F)c1 ZINC000151901506 495986802 /nfs/dbraw/zinc/98/68/02/495986802.db2.gz ISGQSWQQOZNNBI-DYESRHJHSA-N 2 0 356.489 3.250 20 0 FGADRP [NH3+]C[C@H](C(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)c1ccccc1 ZINC000571793825 505816537 /nfs/dbraw/zinc/81/65/37/505816537.db2.gz DIRRTSTVGABBEE-AZUAARDMSA-N 2 0 371.912 3.336 20 0 FGADRP O=C(/C=C/c1ccc(-n2ccnc2)cc1)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000174533127 495998393 /nfs/dbraw/zinc/99/83/93/495998393.db2.gz ROESFTWEIHJXLX-AQDCRGGLSA-N 2 0 364.493 3.220 20 0 FGADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H](C)c2ccc(F)c(Br)c2)CC1 ZINC000155584529 496003677 /nfs/dbraw/zinc/00/36/77/496003677.db2.gz YVZONMXUCGNYPA-KGLIPLIRSA-N 2 0 372.326 3.265 20 0 FGADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H]2CCc3cc(Br)ccc32)CC1 ZINC000155585444 496003754 /nfs/dbraw/zinc/00/37/54/496003754.db2.gz QIVSPIYZSNIRIT-RDTXWAMCSA-N 2 0 366.347 3.052 20 0 FGADRP CC[C@@H]([NH2+]C[C@H](C)N1CC[NH+](CC)CC1)c1cc(Cl)ccc1OC ZINC000155594007 496006322 /nfs/dbraw/zinc/00/63/22/496006322.db2.gz KDNOHESRHFOWSU-MAUKXSAKSA-N 2 0 353.938 3.415 20 0 FGADRP O=C(Nc1ccc2c(c1)nc1n2CCCCC1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000174567599 496013080 /nfs/dbraw/zinc/01/30/80/496013080.db2.gz HQIRAZRIYRFXQG-KRWDZBQOSA-N 2 0 365.481 3.241 20 0 FGADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)c1ccccc1OCC[NH+](C)C ZINC000177342924 496026119 /nfs/dbraw/zinc/02/61/19/496026119.db2.gz IEGSXZQFRGDODO-UHFFFAOYSA-N 2 0 355.482 3.249 20 0 FGADRP CCOc1ccc([C@H](C)[NH2+][C@@H](C)CCN2CC[NH+](C)CC2)cc1OCC ZINC000186580189 496055592 /nfs/dbraw/zinc/05/55/92/496055592.db2.gz FSAQSXOKMQSBJP-ROUUACIJSA-N 2 0 363.546 3.161 20 0 FGADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1ccc(F)cc1Br ZINC000186586390 496058370 /nfs/dbraw/zinc/05/83/70/496058370.db2.gz ZELLOPHXASERNC-KBPBESRZSA-N 2 0 372.326 3.265 20 0 FGADRP C[NH+](C)CCOc1ccc(C[NH2+]Cc2cncc(Br)c2)cc1 ZINC000186592713 496062036 /nfs/dbraw/zinc/06/20/36/496062036.db2.gz GPZWZONSNJETIS-UHFFFAOYSA-N 2 0 364.287 3.074 20 0 FGADRP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)CCC1CC[NH2+]CC1 ZINC000155892816 496098645 /nfs/dbraw/zinc/09/86/45/496098645.db2.gz XSMJBZDNJWDZJS-SFHVURJKSA-N 2 0 357.542 3.457 20 0 FGADRP CCc1noc(C2CCC([NH2+]CCCC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)n1 ZINC000183747112 496101501 /nfs/dbraw/zinc/10/15/01/496101501.db2.gz URYVKSFQRFXDRD-VYMRPNJYSA-N 2 0 364.534 3.137 20 0 FGADRP CC[NH+](CC)[C@H](C)CNC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000156287907 496207414 /nfs/dbraw/zinc/20/74/14/496207414.db2.gz RDALGCVXFLAXPH-SBHAEUEKSA-N 2 0 374.573 3.411 20 0 FGADRP C[C@H]1CCc2c(F)cccc2[C@@H]1[NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000177825720 496211526 /nfs/dbraw/zinc/21/15/26/496211526.db2.gz BMGPGBGFZFZVLW-KSFYIVLOSA-N 2 0 368.500 3.386 20 0 FGADRP C[C@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)c1ccc(Cl)cc1 ZINC000180995861 496234682 /nfs/dbraw/zinc/23/46/82/496234682.db2.gz AHLLCAMGZCPEPP-HNNXBMFYSA-N 2 0 359.901 3.482 20 0 FGADRP COc1ccc([C@H](Cc2ccccc2)NC[C@H](O)C[N@H+](C)C2CC2)cc1 ZINC000577989921 505834939 /nfs/dbraw/zinc/83/49/39/505834939.db2.gz YUFVWPJIVFNMST-UNMCSNQZSA-N 2 0 354.494 3.024 20 0 FGADRP Cc1ccccc1NC(=O)C[C@H](C)[NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000178034342 496297582 /nfs/dbraw/zinc/29/75/82/496297582.db2.gz CELDILCCWVKBCH-GBESFXJTSA-N 2 0 361.530 3.191 20 0 FGADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000162389723 496347177 /nfs/dbraw/zinc/34/71/77/496347177.db2.gz MEGBLNZBTIGZFW-IBGZPJMESA-N 2 0 352.567 3.014 20 0 FGADRP COC[C@H](C)[NH2+]CCCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000153092541 496349957 /nfs/dbraw/zinc/34/99/57/496349957.db2.gz JTXATVOBVVHQLE-INIZCTEOSA-N 2 0 373.463 3.232 20 0 FGADRP Cc1cncc([C@@H](C)[NH2+]Cc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)c1 ZINC000184407479 496371006 /nfs/dbraw/zinc/37/10/06/496371006.db2.gz CXVNAHNXJYSCPD-GOSISDBHSA-N 2 0 366.509 3.066 20 0 FGADRP CC[NH+](CC)[C@@H]1CCN(C(=O)NCc2ccccc2C[N@H+](C)C(C)C)C1 ZINC000175401136 496375171 /nfs/dbraw/zinc/37/51/71/496375171.db2.gz JAYKHIMSBHRMOG-HXUWFJFHSA-N 2 0 360.546 3.153 20 0 FGADRP Cc1cccc2c1[C@@H](C)C[C@@H]2[NH2+]Cc1cccnc1N1CC[NH+](C)CC1 ZINC000153264711 496402542 /nfs/dbraw/zinc/40/25/42/496402542.db2.gz NXOKVMFYHAAQRB-PXNSSMCTSA-N 2 0 350.510 3.480 20 0 FGADRP CC[NH+]1CCN(Cc2ccc(C[NH2+][C@@H]3[C@@H]4CCCO[C@@H]4C3(C)C)cc2)CC1 ZINC000181518379 496429428 /nfs/dbraw/zinc/42/94/28/496429428.db2.gz YHBKBFZJWOMKQE-BDTNDASRSA-N 2 0 371.569 3.117 20 0 FGADRP C[C@@H]([NH2+]C1CCN(CC(F)(F)F)CC1)c1cccc(OCC[NH+](C)C)c1 ZINC000178366235 496429955 /nfs/dbraw/zinc/42/99/55/496429955.db2.gz XSJXMMWXRAUONV-OAHLLOKOSA-N 2 0 373.463 3.304 20 0 FGADRP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000157250702 496438039 /nfs/dbraw/zinc/43/80/39/496438039.db2.gz OVMLCXKTQITJLO-NRFANRHFSA-N 2 0 373.541 3.404 20 0 FGADRP C[NH+]1CCC(N(Cc2ccccc2)C(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)CC1 ZINC000574742494 505845816 /nfs/dbraw/zinc/84/58/16/505845816.db2.gz ZOKWKNBTIMTZRL-WGSAOQKQSA-N 2 0 372.557 3.058 20 0 FGADRP O[C@@H](C[NH2+]Cc1cccc(C[NH+]2CCCC2)c1)COc1ccccc1Cl ZINC000580828887 505847564 /nfs/dbraw/zinc/84/75/64/505847564.db2.gz PYHNOKOBGNWMFQ-IBGZPJMESA-N 2 0 374.912 3.465 20 0 FGADRP Cc1cccc2c1CC[C@@H]2[NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000163498128 496523722 /nfs/dbraw/zinc/52/37/22/496523722.db2.gz CGWBQQUUGQDIHP-FQEVSTJZSA-N 2 0 357.542 3.199 20 0 FGADRP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1CCC(=O)N[C@@H](c1cccs1)c1ccccc1 ZINC000580841516 505850911 /nfs/dbraw/zinc/85/09/11/505850911.db2.gz RQJFPYIEQUROEB-WRWLIDTKSA-N 2 0 357.523 3.155 20 0 FGADRP CC(C)[NH+]1CCC(NC(=O)C[NH+]2CCC(C)(c3ccccc3)CC2)CC1 ZINC000153824313 496592583 /nfs/dbraw/zinc/59/25/83/496592583.db2.gz UHKRZANUJFUNQN-UHFFFAOYSA-N 2 0 357.542 3.029 20 0 FGADRP C[C@@H]1C[N@@H+](CCCC[NH2+]Cc2nc3cc(Cl)ccc3n2C)C[C@H](C)O1 ZINC000178894961 496607692 /nfs/dbraw/zinc/60/76/92/496607692.db2.gz LNRKGHJMHOYUDZ-GASCZTMLSA-N 2 0 364.921 3.206 20 0 FGADRP C[NH+](C)[C@H]1CCC[C@@H](NC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000164526060 496616872 /nfs/dbraw/zinc/61/68/72/496616872.db2.gz PPXPEQRQPWTHHQ-UXHICEINSA-N 2 0 357.542 3.278 20 0 FGADRP Cc1ccccc1OCCC[NH+]1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000153903813 496619084 /nfs/dbraw/zinc/61/90/84/496619084.db2.gz SDWHPZMTNKVJCK-SFTDATJTSA-N 2 0 359.558 3.254 20 0 FGADRP C[C@@H]1C[N@@H+](CCCC[NH2+]Cc2sccc2Br)C[C@H](C)O1 ZINC000185026366 496628332 /nfs/dbraw/zinc/62/83/32/496628332.db2.gz NNROJOIHYJGEQC-BETUJISGSA-N 2 0 361.349 3.490 20 0 FGADRP CC(C)[N@H+](C[C@H](O)COc1cccc2ccccc21)CC1CC[NH2+]CC1 ZINC000178955734 496628726 /nfs/dbraw/zinc/62/87/26/496628726.db2.gz AGHLCJRZWQVKAU-FQEVSTJZSA-N 2 0 356.510 3.290 20 0 FGADRP OC[C@@H](Cc1ccccc1)[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000158193845 496647062 /nfs/dbraw/zinc/64/70/62/496647062.db2.gz ZAOOYBFBWIMFTH-BXXSPATCSA-N 2 0 350.506 3.090 20 0 FGADRP Cc1ccc([C@@H](CNC(=O)N(CC[NH+](C)C)C(C)C)[NH+]2CCCC2)cc1 ZINC000158208910 496651076 /nfs/dbraw/zinc/65/10/76/496651076.db2.gz JSPVOSNKWOTBCH-HXUWFJFHSA-N 2 0 360.546 3.114 20 0 FGADRP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000158260657 496662905 /nfs/dbraw/zinc/66/29/05/496662905.db2.gz ZGSBATQOVPGBDV-IAGOWNOFSA-N 2 0 364.555 3.395 20 0 FGADRP COc1ccccc1C[C@H](C)[NH2+][C@@H]1CN(Cc2ccccc2)CC[C@@H]1CO ZINC000154051516 496668474 /nfs/dbraw/zinc/66/84/74/496668474.db2.gz CFFNAVBIXYSLRE-VLCRHTCISA-N 2 0 368.521 3.099 20 0 FGADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H](C)c1cnn(-c2ccc(F)cc2)c1C ZINC000165973561 496673868 /nfs/dbraw/zinc/67/38/68/496673868.db2.gz TWMBCZXPNFWNBF-DNVCBOLYSA-N 2 0 362.493 3.327 20 0 FGADRP COc1ccc([C@@H](CN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)[NH+]2CCCCC2)cc1 ZINC000165969363 496674167 /nfs/dbraw/zinc/67/41/67/496674167.db2.gz FFEJLGMDGBTYBZ-TUNNFDKTSA-N 2 0 357.542 3.439 20 0 FGADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]C1CCN(Cc2ccc(F)c(F)c2)CC1 ZINC000166168707 496678196 /nfs/dbraw/zinc/67/81/96/496678196.db2.gz BNRNUWXKVZSLDK-QEEYODRMSA-N 2 0 351.485 3.248 20 0 FGADRP C[C@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)c1ccc(F)c(F)c1 ZINC000173429121 496689944 /nfs/dbraw/zinc/68/99/44/496689944.db2.gz VHJCKDPRLMDVDQ-AWEZNQCLSA-N 2 0 361.436 3.107 20 0 FGADRP CC(C)[NH2+]CCC(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000167843547 496706052 /nfs/dbraw/zinc/70/60/52/496706052.db2.gz ILNUUFJNNIIULH-UHFFFAOYSA-N 2 0 351.922 3.056 20 0 FGADRP C[C@@H](Cc1ccc(Br)cc1)[NH2+]CCCC[N@@H+]1CCC[C@@H]1CO ZINC000188195780 496714287 /nfs/dbraw/zinc/71/42/87/496714287.db2.gz YDANRJTYZKXVKF-MAUKXSAKSA-N 2 0 369.347 3.207 20 0 FGADRP COc1ccc([C@@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CC[C@H](O)C2)c(F)c1 ZINC000182257300 496721648 /nfs/dbraw/zinc/72/16/48/496721648.db2.gz XROAAMVOYQRXNZ-QAPCUYQASA-N 2 0 358.457 3.252 20 0 FGADRP C[NH+](C)Cc1ccc(-c2ccccc2C[NH2+][C@@H]2CCCS(=O)(=O)C2)cc1 ZINC000182331249 496729991 /nfs/dbraw/zinc/72/99/91/496729991.db2.gz SIBCQRBOMPQGKM-HXUWFJFHSA-N 2 0 372.534 3.082 20 0 FGADRP CC[C@H]([NH2+]Cc1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1)c1cnn(C)c1 ZINC000246962572 496737515 /nfs/dbraw/zinc/73/75/15/496737515.db2.gz IQRUSPATZPSMCA-FIKGOQFSSA-N 2 0 356.514 3.270 20 0 FGADRP C[C@@H]1CCCN(C(C)(C)C[NH2+][C@H]2CCN(Cc3ccccn3)C[C@H]2C)C1 ZINC000246997351 496747381 /nfs/dbraw/zinc/74/73/81/496747381.db2.gz KNYQOTRMZBPFNF-SBHAEUEKSA-N 2 0 358.574 3.392 20 0 FGADRP CCC[N@H+](CCCN1CC[NH+](C(C)C)CC1)CC(=O)Nc1ccccc1C ZINC000191425703 496758362 /nfs/dbraw/zinc/75/83/62/496758362.db2.gz LFBFAVXRGHNGSE-UHFFFAOYSA-N 2 0 374.573 3.062 20 0 FGADRP COc1ccc([C@@H](C)[NH2+]CCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c(OC)c1 ZINC000247044792 496761802 /nfs/dbraw/zinc/76/18/02/496761802.db2.gz OLRWETGAKULMEI-IXDOHACOSA-N 2 0 350.503 3.244 20 0 FGADRP CC(C)[NH+]1CCN(CCC[N@H+](Cc2ccc(F)cc2F)C2CC2)CC1 ZINC000191454199 496767554 /nfs/dbraw/zinc/76/75/54/496767554.db2.gz DNJGUOKFTADNIE-UHFFFAOYSA-N 2 0 351.485 3.345 20 0 FGADRP COc1cccc2c1CCC[C@H]2[NH2+]Cc1ccnc(OCC[NH+](C)C)c1 ZINC000194940117 496768007 /nfs/dbraw/zinc/76/80/07/496768007.db2.gz ZZEWLWBZFBAVCZ-LJQANCHMSA-N 2 0 355.482 3.198 20 0 FGADRP CC1CC[NH+]([C@H](CNC(=O)CC2CC[NH+](C)CC2)c2cccs2)CC1 ZINC000273315970 496772524 /nfs/dbraw/zinc/77/25/24/496772524.db2.gz XXBIZJFBRRDLNJ-GOSISDBHSA-N 2 0 363.571 3.369 20 0 FGADRP CCN1CC[NH+](CCCC[NH2+][C@H]2CCSc3ccc(OC)cc32)CC1 ZINC000191495198 496783036 /nfs/dbraw/zinc/78/30/36/496783036.db2.gz ZSRBVVGBLKQBJM-IBGZPJMESA-N 2 0 363.571 3.239 20 0 FGADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(NC(N)=O)cc1 ZINC000268782515 496783730 /nfs/dbraw/zinc/78/37/30/496783730.db2.gz UNHOCCAWRWDCBU-JXFKEZNVSA-N 2 0 352.482 3.177 20 0 FGADRP C[C@@H]([NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(-n2ccnc2)cc1 ZINC000247145113 496791777 /nfs/dbraw/zinc/79/17/77/496791777.db2.gz WLXHGXISGTYKTE-CEXWTWQISA-N 2 0 356.514 3.412 20 0 FGADRP C[C@@H]([NH2+]CCCC[N@@H+]1CCCC[C@H]1C)c1ccc(NS(C)(=O)=O)cc1 ZINC000247171114 496797650 /nfs/dbraw/zinc/79/76/50/496797650.db2.gz UQXPFHWQEXJQJQ-IAGOWNOFSA-N 2 0 367.559 3.363 20 0 FGADRP C[NH+](C)C[C@@H](NC(=O)c1ccc(C[NH+]2CCCC2)cc1)c1ccc(F)cc1 ZINC000569163653 505866758 /nfs/dbraw/zinc/86/67/58/505866758.db2.gz PWDPYZZKBKQQFV-OAQYLSRUSA-N 2 0 369.484 3.454 20 0 FGADRP CC[NH+](CC)CCOc1ccc(C[NH2+][C@H](C)CCCOC)cc1OC ZINC000268866515 496809408 /nfs/dbraw/zinc/80/94/08/496809408.db2.gz NSZSNJPIPANVSK-QGZVFWFLSA-N 2 0 352.519 3.321 20 0 FGADRP Cc1ccccc1CN(C)C(=O)[C@@H](C)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000247233976 496811937 /nfs/dbraw/zinc/81/19/37/496811937.db2.gz YSWSSRCNEJLGBJ-TZIWHRDSSA-N 2 0 357.542 3.292 20 0 FGADRP COc1ccc(NC(=O)CC[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)cc1Cl ZINC000268893103 496816267 /nfs/dbraw/zinc/81/62/67/496816267.db2.gz MBBPNXJSVCVSKW-WMLDXEAASA-N 2 0 365.905 3.093 20 0 FGADRP COc1cc(OC)c(OC)cc1CN1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000247264663 496819368 /nfs/dbraw/zinc/81/93/68/496819368.db2.gz XTMLUBQDLQCXDU-MAUKXSAKSA-N 2 0 360.498 3.161 20 0 FGADRP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000269111486 496873466 /nfs/dbraw/zinc/87/34/66/496873466.db2.gz IYKUHFKQBFOMIB-LEWJYISDSA-N 2 0 355.526 3.229 20 0 FGADRP C[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)[C@H]1c1ccccc1 ZINC000248035725 496945274 /nfs/dbraw/zinc/94/52/74/496945274.db2.gz LESCQYBXQRKXJK-SESVDKBCSA-N 2 0 355.526 3.203 20 0 FGADRP C[C@H](C[NH2+]Cc1cc(Cl)cc(C(F)(F)F)c1)CN1CC[NH+](C)CC1 ZINC000189144172 497023410 /nfs/dbraw/zinc/02/34/10/497023410.db2.gz KBQDGXHQAYVNBC-CYBMUJFWSA-N 2 0 363.855 3.332 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)NCc2cn3ccccc3n2)C1 ZINC000265092345 497045571 /nfs/dbraw/zinc/04/55/71/497045571.db2.gz NATWBFYEUSQULC-QZTJIDSGSA-N 2 0 369.513 3.130 20 0 FGADRP CCN(CCC[NH+](C)C)C(=O)N[C@H]1CCN(C)[C@H]1c1ccc(Cl)cc1 ZINC000248692184 497081270 /nfs/dbraw/zinc/08/12/70/497081270.db2.gz JPTCZYSPWOSGHW-ROUUACIJSA-N 2 0 366.937 3.068 20 0 FGADRP O=C(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC000248758943 497100802 /nfs/dbraw/zinc/10/08/02/497100802.db2.gz QFKSRINBYPDYKK-RTWAWAEBSA-N 2 0 369.553 3.279 20 0 FGADRP C[C@@H]1C[C@H](NC(=O)[C@](C)([NH3+])c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000192528673 497141004 /nfs/dbraw/zinc/14/10/04/497141004.db2.gz DJRUDMLDWULRNM-NQSCKRDGSA-N 2 0 351.494 3.030 20 0 FGADRP O=C(c1ccc(C[NH+]2CCCC2)cc1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000265660460 497156282 /nfs/dbraw/zinc/15/62/82/497156282.db2.gz OLZIVEZFJBSEJN-NRFANRHFSA-N 2 0 355.526 3.373 20 0 FGADRP CCO[C@H](CC[NH+](C)C)C[NH2+]Cc1cc(-c2ccncc2)ccc1OC ZINC000274849005 497180761 /nfs/dbraw/zinc/18/07/61/497180761.db2.gz XQHJZQYDJZZSQO-HXUWFJFHSA-N 2 0 357.498 3.204 20 0 FGADRP CCc1nccn1[C@@H]1CCCN([C@H](C)c2ccc(S(C)(=O)=O)cc2)C1 ZINC000249274106 497185531 /nfs/dbraw/zinc/18/55/31/497185531.db2.gz LLAHIVRNOMDRRA-NVXWUHKLSA-N 2 0 361.511 3.247 20 0 FGADRP C[NH+](C)C1CCN(c2ccc(NC(=O)c3ccc(C[NH3+])cc3)cc2F)CC1 ZINC000237089071 497189333 /nfs/dbraw/zinc/18/93/33/497189333.db2.gz PWJWIXCGYHQIRQ-UHFFFAOYSA-N 2 0 370.472 3.067 20 0 FGADRP C[NH+](C)[C@H](CNC(=O)C[N@@H+]1CCC[C@H]1c1ccccc1)c1ccccc1 ZINC000249377417 497195486 /nfs/dbraw/zinc/19/54/86/497195486.db2.gz YVTVJQATZMHCEW-LEWJYISDSA-N 2 0 351.494 3.243 20 0 FGADRP C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)[C@H](C[NH3+])c2ccccc2)CC1 ZINC000237192907 497203018 /nfs/dbraw/zinc/20/30/18/497203018.db2.gz DRTLDVNCKVIPNS-JOCHJYFZSA-N 2 0 365.521 3.100 20 0 FGADRP COC[C@@H]([NH2+]CCCN1CC[NH+](C(C)C)CC1)c1ccc(Cl)cc1 ZINC000192850271 497229036 /nfs/dbraw/zinc/22/90/36/497229036.db2.gz OEFSACVPPAGZNQ-LJQANCHMSA-N 2 0 353.938 3.033 20 0 FGADRP C[C@@H](CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)[C@H]1CCC[NH2+]C1 ZINC000237386016 497229841 /nfs/dbraw/zinc/22/98/41/497229841.db2.gz VUVZPHZVJQGVIF-WMZOPIPTSA-N 2 0 361.555 3.200 20 0 FGADRP C[C@@H]([NH2+]C1(CNC(=O)[C@H]([NH3+])c2ccccc2)CCCC1)c1ccccc1 ZINC000237402251 497230693 /nfs/dbraw/zinc/23/06/93/497230693.db2.gz NZMKEBLFLUEKPV-YLJYHZDGSA-N 2 0 351.494 3.466 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)C2CC[NH+](Cc3ccccc3)CC2)[C@H](C)C1 ZINC000266014600 497232402 /nfs/dbraw/zinc/23/24/02/497232402.db2.gz UJSBQLHMCRVREE-NQIIRXRSSA-N 2 0 357.542 3.087 20 0 FGADRP C[C@H](c1ccc(Cl)cc1)N1CCN(C(=O)c2ccc(C[NH3+])cc2)CC1 ZINC000237437115 497236546 /nfs/dbraw/zinc/23/65/46/497236546.db2.gz GMXDAAPMAMBUMY-OAHLLOKOSA-N 2 0 357.885 3.318 20 0 FGADRP CCO[C@@H]1C[C@](CO)([NH2+]C2CC[NH+]([C@H]3CCC[C@@H](C)C3)CC2)C1(C)C ZINC000249767252 497245019 /nfs/dbraw/zinc/24/50/19/497245019.db2.gz ITOSWVYHMBIQKQ-WQZMEWCLSA-N 2 0 352.563 3.185 20 0 FGADRP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@@H]2Cc3ccccc3C[NH2+]2)CC1 ZINC000237519930 497250493 /nfs/dbraw/zinc/25/04/93/497250493.db2.gz VODDTUVVUNVOMZ-JTSKRJEESA-N 2 0 363.505 3.043 20 0 FGADRP C[C@H](CC(=O)Nc1ccc2ccn(CC[NH+](C)C)c2c1)[C@@H]1CCC[NH2+]C1 ZINC000237569612 497256850 /nfs/dbraw/zinc/25/68/50/497256850.db2.gz ODQNECRPGSYMDA-SJLPKXTDSA-N 2 0 356.514 3.167 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)C1(c2ccccc2)CC[NH2+]CC1 ZINC000237668308 497272965 /nfs/dbraw/zinc/27/29/65/497272965.db2.gz AMIZDJJPYRJJOY-LJQANCHMSA-N 2 0 357.542 3.079 20 0 FGADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1N(C)C(=O)c1ccc(C[NH3+])cc1 ZINC000237678975 497274974 /nfs/dbraw/zinc/27/49/74/497274974.db2.gz TUQBGEYCCATAHC-UWJYYQICSA-N 2 0 351.494 3.128 20 0 FGADRP CC(C)(O)C[NH+](Cc1ccc(C[N@@H+](CC(C)(C)O)C2CC2)cc1)C1CC1 ZINC000189898228 497285771 /nfs/dbraw/zinc/28/57/71/497285771.db2.gz YITCHJXWISVNJM-UHFFFAOYSA-N 2 0 360.542 3.157 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H](N[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C)[C@@H](C)C1 ZINC000252695969 497318285 /nfs/dbraw/zinc/31/82/85/497318285.db2.gz AZVFMPRMALJRAY-PABCKOPISA-N 2 0 373.585 3.234 20 0 FGADRP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)CCc3ncc[nH]3)cc2)C1 ZINC000279104879 497333899 /nfs/dbraw/zinc/33/38/99/497333899.db2.gz BDABJUWPJUKOOO-IAGOWNOFSA-N 2 0 354.498 3.137 20 0 FGADRP C[N@@H+]1CCC[C@@H]2C[NH+](C[C@]3(C)CCN(C(=O)OC(C)(C)C)C3)CC[C@H]21 ZINC000190055704 497340157 /nfs/dbraw/zinc/34/01/57/497340157.db2.gz QMVNWTBWVSEIIW-HLIPFELVSA-N 2 0 351.535 3.050 20 0 FGADRP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)c1ccc(Br)cc1 ZINC000271578520 497388103 /nfs/dbraw/zinc/38/81/03/497388103.db2.gz ZYSYOCYNZILVDU-KKXDTOCCSA-N 2 0 367.331 3.478 20 0 FGADRP COc1ccc(Cl)cc1NC(=O)[C@@H](C)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000245443521 497409859 /nfs/dbraw/zinc/40/98/59/497409859.db2.gz IVSCDGDWHBNLKB-GDBMZVCRSA-N 2 0 367.921 3.482 20 0 FGADRP O=C(C[N@@H+]1CCC[C@H]2CCC[C@H]21)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000245454470 497415471 /nfs/dbraw/zinc/41/54/71/497415471.db2.gz SAIYCMKDUDJYGW-UYAOXDASSA-N 2 0 373.566 3.438 20 0 FGADRP C[C@H](NC(=O)CC1(C[NH3+])CCCCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261651675 497427536 /nfs/dbraw/zinc/42/75/36/497427536.db2.gz YIVBCEOZVSIFDL-AZUAARDMSA-N 2 0 357.542 3.313 20 0 FGADRP CC(C)(C)c1ccc(C[N@@H+]2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)cc1 ZINC000261758312 497446092 /nfs/dbraw/zinc/44/60/92/497446092.db2.gz FQUKMYIFAUHTDG-AZUAARDMSA-N 2 0 357.542 3.064 20 0 FGADRP CCOc1c(Br)cc(C[NH2+]CC2=CC[N@H+](C)CC2)cc1OC ZINC000271788175 497450716 /nfs/dbraw/zinc/45/07/16/497450716.db2.gz GBGUSHPXFQQGII-UHFFFAOYSA-N 2 0 369.303 3.208 20 0 FGADRP C[C@@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)N1CC[C@@](C)(C[NH3+])C1 ZINC000261800301 497453026 /nfs/dbraw/zinc/45/30/26/497453026.db2.gz VUHZTQRVVTXACS-BONVTDFDSA-N 2 0 363.811 3.357 20 0 FGADRP CC(C)[N@@H+](C)C[C@H](C)NC(=O)N1CC[C@@H](C)[NH+](Cc2ccccc2)CC1 ZINC000581105214 505910109 /nfs/dbraw/zinc/91/01/09/505910109.db2.gz PRENYXAHFOVMCX-RBUKOAKNSA-N 2 0 360.546 3.021 20 0 FGADRP CCC[N@H+](CC)Cc1ccc(C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)cc1 ZINC000261810183 497455139 /nfs/dbraw/zinc/45/51/39/497455139.db2.gz RMYLXBPIWRUSSO-FCHUYYIVSA-N 2 0 365.521 3.485 20 0 FGADRP CC[NH+](CC)CCOc1ccc(C[NH2+][C@@H]2CCO[C@H](C)C2)cc1OC ZINC000271828090 497462449 /nfs/dbraw/zinc/46/24/49/497462449.db2.gz IRBQXXXPSGGNJQ-SJLPKXTDSA-N 2 0 350.503 3.073 20 0 FGADRP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000245590040 497468063 /nfs/dbraw/zinc/46/80/63/497468063.db2.gz AXPLSDPLZIVPIS-DBXWQHBBSA-N 2 0 372.557 3.336 20 0 FGADRP COc1ccc(OCc2ccccn2)c(C[NH2+]CC2=CC[N@H+](C)CC2)c1 ZINC000271851435 497469671 /nfs/dbraw/zinc/46/96/71/497469671.db2.gz TWUQOBQGJPYALC-UHFFFAOYSA-N 2 0 353.466 3.021 20 0 FGADRP C[C@H]1CCC[N@H+](CCCCNC(=O)N2CCC(C[NH+]3CCCC3)CC2)C1 ZINC000193762370 497472290 /nfs/dbraw/zinc/47/22/90/497472290.db2.gz QNUSPAGKPQBYDZ-IBGZPJMESA-N 2 0 364.578 3.016 20 0 FGADRP C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]CC1=CC[N@H+](C)CC1 ZINC000271875090 497477346 /nfs/dbraw/zinc/47/73/46/497477346.db2.gz NYLYGDIWRCXBNY-ZDUSSCGKSA-N 2 0 355.404 3.274 20 0 FGADRP C[NH+](C)[C@H](CNC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1)c1cccs1 ZINC000245623161 497477505 /nfs/dbraw/zinc/47/75/05/497477505.db2.gz FRBGWIITSOFYPC-SCTDSRPQSA-N 2 0 372.538 3.095 20 0 FGADRP [NH3+]Cc1ccc(-c2noc(-c3ccc(C[NH+]4CCSCC4)cc3)n2)cc1 ZINC000261925361 497477792 /nfs/dbraw/zinc/47/77/92/497477792.db2.gz CAUXBKDIKRWSSI-UHFFFAOYSA-N 2 0 366.490 3.411 20 0 FGADRP Cc1nn(Cc2ccccc2Cl)c(C)c1CN1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261951858 497481190 /nfs/dbraw/zinc/48/11/90/497481190.db2.gz GAKAXGXISDYRAS-HXUWFJFHSA-N 2 0 358.917 3.387 20 0 FGADRP C[NH2+]CCC1CC[NH+](CC(=O)N(C)Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000262006397 497491868 /nfs/dbraw/zinc/49/18/68/497491868.db2.gz RQLCQFTXIMMKKQ-UHFFFAOYSA-N 2 0 372.340 3.273 20 0 FGADRP C[NH2+]CCC1CC[NH+]([C@@H](C)C(=O)Nc2ccc(Br)cc2)CC1 ZINC000262022992 497493969 /nfs/dbraw/zinc/49/39/69/497493969.db2.gz YOVXOHIILJDIMV-ZDUSSCGKSA-N 2 0 368.319 3.098 20 0 FGADRP C[NH+](C)[C@H](CNC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1)c1ccccc1 ZINC000245693039 497504001 /nfs/dbraw/zinc/50/40/01/497504001.db2.gz XQOYADFHOWSZLY-HBMCJLEFSA-N 2 0 366.509 3.034 20 0 FGADRP C[C@@]1(c2ccccc2)CC[C@@H]([NH+]2CCC(c3nnc4n3CCNC4)CC2)C1 ZINC000569340227 505911590 /nfs/dbraw/zinc/91/15/90/505911590.db2.gz COXGNGLKBBMFNL-DENIHFKCSA-N 2 0 365.525 3.071 20 0 FGADRP CC(C)C(=O)N1CCC([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC000245714759 497513793 /nfs/dbraw/zinc/51/37/93/497513793.db2.gz NTWYLAXLAOPVTC-DKUWSORSSA-N 2 0 369.553 3.419 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N(C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000267314395 497523553 /nfs/dbraw/zinc/52/35/53/497523553.db2.gz CJTJLPGKZAUEFL-UKAVVXHISA-N 2 0 372.557 3.021 20 0 FGADRP COc1ccccc1-c1ccc([C@@H](C)[N@H+](C)CCN2CC[NH2+]CC2)cc1 ZINC000575060084 505912691 /nfs/dbraw/zinc/91/26/91/505912691.db2.gz WHIFIEQOTSTXFI-GOSISDBHSA-N 2 0 353.510 3.260 20 0 FGADRP c1ccc(N2CC[NH+](CCCC[NH2+][C@H]3[C@H]4CCO[C@H]4C34CCC4)CC2)cc1 ZINC000193996803 497543062 /nfs/dbraw/zinc/54/30/62/497543062.db2.gz ATJZGMWAYALKJA-BHIFYINESA-N 2 0 369.553 3.136 20 0 FGADRP CCO[C@@H]1C[C@H]([NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)C12CCCC2 ZINC000245861246 497552490 /nfs/dbraw/zinc/55/24/90/497552490.db2.gz HVVRBFRWCZSLIJ-LWYYNNOASA-N 2 0 350.547 3.082 20 0 FGADRP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+]2CC[C@@H](C)[C@@H](C)C2)CC1 ZINC000245884937 497560577 /nfs/dbraw/zinc/56/05/77/497560577.db2.gz ISBKHUHWDWPVJO-MJGOQNOKSA-N 2 0 357.542 3.054 20 0 FGADRP COc1ccc([C@H](O)C[NH2+][C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000272223085 497568546 /nfs/dbraw/zinc/56/85/46/497568546.db2.gz AJHHZQPOIQGWAD-PIPMEXSNSA-N 2 0 354.494 3.229 20 0 FGADRP CC1CC[NH+](Cc2ccc(CNC(=O)C3CC[NH+](C4CC4)CC3)cc2)CC1 ZINC000194129506 497582112 /nfs/dbraw/zinc/58/21/12/497582112.db2.gz MJZKDOGFKNQUKG-UHFFFAOYSA-N 2 0 369.553 3.409 20 0 FGADRP C[C@H](C(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1)[C@H]([NH3+])c1ccccc1 ZINC000262663097 497594008 /nfs/dbraw/zinc/59/40/08/497594008.db2.gz ZQISNWRFYKZXBV-ZVDOUQERSA-N 2 0 357.542 3.437 20 0 FGADRP C[C@@H]1C[C@H](N(C)C(=O)[C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)CC[N@@H+]1Cc1ccccc1 ZINC000262674869 497597261 /nfs/dbraw/zinc/59/72/61/497597261.db2.gz RJYKWPCILKESHN-FYKMYLNBSA-N 2 0 369.553 3.419 20 0 FGADRP C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)CC3C[C@H]4CC[C@@H](C3)[NH2+]4)cc2)C1 ZINC000262681446 497599188 /nfs/dbraw/zinc/59/91/88/497599188.db2.gz XMSNDLVLWYYYKM-AMZGXZFVSA-N 2 0 369.553 3.455 20 0 FGADRP CC1CC[NH+](Cc2ccccc2CNC(=O)[C@@](C)([NH3+])c2ccccc2)CC1 ZINC000262842070 497634748 /nfs/dbraw/zinc/63/47/48/497634748.db2.gz JBRJSZLGQXNUPI-QHCPKHFHSA-N 2 0 365.521 3.409 20 0 FGADRP Clc1ccc(CNC2CC[NH+](C3CCCC3)CC2)c(-n2cncn2)c1 ZINC000280136990 497660530 /nfs/dbraw/zinc/66/05/30/497660530.db2.gz DLROOKCWLHKDQO-UHFFFAOYSA-N 2 0 359.905 3.417 20 0 FGADRP CC(C)c1ccccc1OC[C@H](O)C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246276138 497680657 /nfs/dbraw/zinc/68/06/57/497680657.db2.gz APNBHYNMCDBESV-CZTZKLFOSA-N 2 0 372.553 3.498 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@H]2CCC[NH+](Cc3ccccc3)C2)[C@@H](C)C1 ZINC000246341292 497700811 /nfs/dbraw/zinc/70/08/11/497700811.db2.gz DTAHULUFNHJSSE-JBACZVJFSA-N 2 0 372.557 3.023 20 0 FGADRP COc1ccc(COCC[NH2+][C@@H]2CCN(Cc3ccccn3)C[C@H]2C)cc1 ZINC000246412729 497725407 /nfs/dbraw/zinc/72/54/07/497725407.db2.gz MNOYNQRPPSZRJN-XMSQKQJNSA-N 2 0 369.509 3.107 20 0 FGADRP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(OCc3nccn3C)cc2)[C@@H](C)C1 ZINC000246457285 497739975 /nfs/dbraw/zinc/73/99/75/497739975.db2.gz FSGHMMXAXAEYNH-FXAWDEMLSA-N 2 0 356.514 3.161 20 0 FGADRP COc1ccc([C@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CC[C@@H](O)C2)cc1C ZINC000272854468 497745567 /nfs/dbraw/zinc/74/55/67/497745567.db2.gz IGQDMQSILKNYBH-LAUBAEHRSA-N 2 0 354.494 3.421 20 0 FGADRP CCOc1c(Cl)cc(C[NH2+]CC2(O)CC[NH+](C(C)C)CC2)cc1OC ZINC000268431234 497748359 /nfs/dbraw/zinc/74/83/59/497748359.db2.gz PBMKXZJXFBNOAK-UHFFFAOYSA-N 2 0 370.921 3.072 20 0 FGADRP C[C@@]1([NH3+])CCCC[C@@H]1C(=O)Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1 ZINC000263315540 497755912 /nfs/dbraw/zinc/75/59/12/497755912.db2.gz ZKKHEEDYQKEFFY-IFMALSPDSA-N 2 0 370.541 3.065 20 0 FGADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H](CO)Cc2ccc(OC(F)(F)F)cc2)[C@H](C)C1 ZINC000246505035 497755996 /nfs/dbraw/zinc/75/59/96/497755996.db2.gz STVPRECLRXBPJN-HFTRVMKXSA-N 2 0 374.447 3.056 20 0 FGADRP O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC000194756326 497760620 /nfs/dbraw/zinc/76/06/20/497760620.db2.gz QFKSRINBYPDYKK-LEWJYISDSA-N 2 0 369.553 3.279 20 0 FGADRP C[C@@H]([NH2+][C@@H]1CCCC1(C)C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000191298238 497773363 /nfs/dbraw/zinc/77/33/63/497773363.db2.gz QCYMKUCHVGJXME-YLJYHZDGSA-N 2 0 357.542 3.324 20 0 FGADRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000246571371 497777654 /nfs/dbraw/zinc/77/76/54/497777654.db2.gz VAYAJJSSJCPREY-CZPGPXFGSA-N 2 0 369.553 3.180 20 0 FGADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000246823254 497814063 /nfs/dbraw/zinc/81/40/63/497814063.db2.gz CMJCKYBNVOAYPS-SFTDATJTSA-N 2 0 357.542 3.089 20 0 FGADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@H](c1ccccc1Cl)N1CCOCC1 ZINC000246902636 497819448 /nfs/dbraw/zinc/81/94/48/497819448.db2.gz FWQLTEHNJQYCSZ-XNFNUYLZSA-N 2 0 365.949 3.032 20 0 FGADRP C[C@H](C(=O)N1c2ccccc2C[C@@H]1C)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000246929371 497820674 /nfs/dbraw/zinc/82/06/74/497820674.db2.gz SYOKKSGXBONFID-DIJFTKHXSA-N 2 0 367.537 3.301 20 0 FGADRP O=C1[C@H](N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)CCCN1c1cccc(F)c1 ZINC000246937739 497821150 /nfs/dbraw/zinc/82/11/50/497821150.db2.gz UBFAQKSCZADJRS-TYCQWZJGSA-N 2 0 371.500 3.270 20 0 FGADRP CN(C(=O)[C@@H]1CCC[C@@H]([NH3+])C1)C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000364260244 497866090 /nfs/dbraw/zinc/86/60/90/497866090.db2.gz VCYXLQMPEWJSGX-APISQKPESA-N 2 0 355.526 3.158 20 0 FGADRP C[C@H]([NH2+]Cc1cccc(OCC[NH+](C)C)c1)c1ccc(C(=O)N(C)C)cc1 ZINC000292169519 497907954 /nfs/dbraw/zinc/90/79/54/497907954.db2.gz OAWFNNLOUAMFDO-KRWDZBQOSA-N 2 0 369.509 3.180 20 0 FGADRP CCOC(=O)C1([C@@H](C)[NH2+]Cc2ccccc2COC(C)C)CC[NH2+]CC1 ZINC000575243610 505950013 /nfs/dbraw/zinc/95/00/13/505950013.db2.gz RCKCVOBRFXXJQR-QGZVFWFLSA-N 2 0 362.514 3.023 20 0 FGADRP COCC[N@H+](C)CC[C@@H](NC(=O)c1ccc([C@H](C)[NH3+])cc1)c1ccccc1 ZINC000572360913 505950270 /nfs/dbraw/zinc/95/02/70/505950270.db2.gz QWARBZLADXEMST-LAUBAEHRSA-N 2 0 369.509 3.146 20 0 FGADRP Cc1c[nH+]ccc1N1CCC(c2nc(CC34CCC[NH+]3CCC4)no2)CC1 ZINC000581301204 505955769 /nfs/dbraw/zinc/95/57/69/505955769.db2.gz KUXFXYCHDDBNSO-UHFFFAOYSA-N 2 0 367.497 3.328 20 0 FGADRP C[C@@H](NC(=O)c1ccc(CC[NH+](C)C)cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000581320023 505960409 /nfs/dbraw/zinc/96/04/09/505960409.db2.gz QWJAXFYJIWFYHC-YLJYHZDGSA-N 2 0 357.542 3.174 20 0 FGADRP C[N@@H+]1CC[C@@]2(CCN(C(=O)Nc3ccc(CC[NH+]4CCCCC4)cc3)C2)C1 ZINC000292584318 498069311 /nfs/dbraw/zinc/06/93/11/498069311.db2.gz JYJOUFHEMGVFGF-JOCHJYFZSA-N 2 0 370.541 3.275 20 0 FGADRP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(C(=O)NCC[NH+](C)C)c2)c2ccccc21 ZINC000289247760 498076592 /nfs/dbraw/zinc/07/65/92/498076592.db2.gz NFXKASMPJOTDRS-IIBYNOLFSA-N 2 0 351.494 3.316 20 0 FGADRP C[C@H](CC(=O)Nc1ccccc1)[NH2+]C[C@@H]1CCN(C)[C@H]1c1cccnc1 ZINC000364693800 498091779 /nfs/dbraw/zinc/09/17/79/498091779.db2.gz FHMCMYFKBGNPET-MMOPVJDHSA-N 2 0 352.482 3.081 20 0 FGADRP CC[NH+](CC)Cc1cccc(C[NH2+]Cc2cnc(C3OCCO3)s2)c1 ZINC000289340296 498111505 /nfs/dbraw/zinc/11/15/05/498111505.db2.gz VZXWMDNHOYYSTJ-UHFFFAOYSA-N 2 0 361.511 3.320 20 0 FGADRP CN(CCN1CC[NH+](Cc2ccccc2)CC1)Cc1scnc1C1CC1 ZINC000569648975 505983653 /nfs/dbraw/zinc/98/36/53/505983653.db2.gz HYGMYYDVQGBRBY-UHFFFAOYSA-N 2 0 370.566 3.270 20 0 FGADRP Cc1ncc2c(n1)CC[C@H]([NH2+][C@H](C)[C@H]1CC[N@H+](Cc3ccccc3)C1)C2 ZINC000364780767 498139365 /nfs/dbraw/zinc/13/93/65/498139365.db2.gz WSVGVPKFRRBBHL-PBEJRMEISA-N 2 0 350.510 3.143 20 0 FGADRP COC(=O)c1cc([C@H](C)[NH+]2CCC(OCC[NH+]3CCCC3)CC2)oc1C ZINC000292776898 498143368 /nfs/dbraw/zinc/14/33/68/498143368.db2.gz YTIWIIQTQKPLTO-HNNXBMFYSA-N 2 0 364.486 3.012 20 0 FGADRP C[N@H+](CCC(=O)Nc1ccc(Cl)cc1F)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285619889 498149673 /nfs/dbraw/zinc/14/96/73/498149673.db2.gz WJFFJNJLBCJJDL-YIONKMFJSA-N 2 0 353.869 3.365 20 0 FGADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+][C@H](C(N)=O)c2ccccc2)CC1 ZINC000285645029 498157560 /nfs/dbraw/zinc/15/75/60/498157560.db2.gz LYVKLATZZPYJID-CBNMVNINSA-N 2 0 351.494 3.246 20 0 FGADRP C[C@H]([NH3+])[C@H]1CCCN(C(=O)NCc2ccccc2C[N@@H+]2CCCC[C@H]2C)C1 ZINC000569675636 505990439 /nfs/dbraw/zinc/99/04/39/505990439.db2.gz FUHDLLNKWXDJAF-HBFSDRIKSA-N 2 0 372.557 3.330 20 0 FGADRP C[C@@H]([NH2+]Cc1cccc(C[NH+]2CCCC2)c1)c1ccc2c(c1)OCC(=O)N2 ZINC000285791401 498201051 /nfs/dbraw/zinc/20/10/51/498201051.db2.gz UTJALJWSNYWZJV-MRXNPFEDSA-N 2 0 365.477 3.464 20 0 FGADRP OC1CC[NH+](Cc2ccc(C[NH2+][C@@H]3CCCC[C@H]3[C@@H]3CCOC3)cc2)CC1 ZINC000365070828 498283250 /nfs/dbraw/zinc/28/32/50/498283250.db2.gz YOAIXMJEHGKXAG-AKIFATBCSA-N 2 0 372.553 3.328 20 0 FGADRP COc1ccc(C[NH+]2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)cc1OC(F)F ZINC000578738847 506010245 /nfs/dbraw/zinc/01/02/45/506010245.db2.gz FXFNSVFGNVCCOH-DOTOQJQBSA-N 2 0 370.440 3.015 20 0 FGADRP C[C@H](CC[NH+](C)C)NC(=O)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000293193595 498301208 /nfs/dbraw/zinc/30/12/08/498301208.db2.gz ZEBCDPLTRJIVQD-LJQANCHMSA-N 2 0 372.557 3.024 20 0 FGADRP C[C@@H](CC[NH+](C)C)NC(=O)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000293193582 498301405 /nfs/dbraw/zinc/30/14/05/498301405.db2.gz ZEBCDPLTRJIVQD-IBGZPJMESA-N 2 0 372.557 3.024 20 0 FGADRP C[C@@H]([NH2+]CCCC[NH+]1CCC(Cc2ccccc2)CC1)c1ccc(=O)[nH]n1 ZINC000286242130 498336356 /nfs/dbraw/zinc/33/63/56/498336356.db2.gz UAJWHHDIXKQOCH-GOSISDBHSA-N 2 0 368.525 3.155 20 0 FGADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccccc1 ZINC000297178010 498344895 /nfs/dbraw/zinc/34/48/95/498344895.db2.gz JNKQRFGFRJDRLT-BPIHKTFHSA-N 2 0 358.530 3.040 20 0 FGADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)N(C)CCC[NH+]1CCCC1 ZINC000282007364 498354866 /nfs/dbraw/zinc/35/48/66/498354866.db2.gz VRYQNRRKISXXSS-PZJWPPBQSA-N 2 0 372.557 3.024 20 0 FGADRP CC1(C(=O)NC2CC[NH+](C3CCC3)CC2)CC[NH+](Cc2ccccc2)CC1 ZINC000297208180 498359002 /nfs/dbraw/zinc/35/90/02/498359002.db2.gz PXSBHPSTHHOBCI-UHFFFAOYSA-N 2 0 369.553 3.422 20 0 FGADRP OC[C@@]1(C[NH2+]C2CCN(CCC(F)(F)F)CC2)C[C@@H]1c1ccccc1 ZINC000289959583 498370237 /nfs/dbraw/zinc/37/02/37/498370237.db2.gz WWIHOLFDHRJRGH-MSOLQXFVSA-N 2 0 356.432 3.159 20 0 FGADRP CCN(Cc1ncnn1CC)C1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC000365362586 498424334 /nfs/dbraw/zinc/42/43/34/498424334.db2.gz KTYMZQXSENFEMC-UHFFFAOYSA-N 2 0 371.533 3.011 20 0 FGADRP CC1=C[C@@H](C)C[C@@H](C[NH+]2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)C1 ZINC000575913757 506031647 /nfs/dbraw/zinc/03/16/47/506031647.db2.gz JSIBFZVYSVKRPU-IEBWSBKVSA-N 2 0 363.590 3.395 20 0 FGADRP C[C@H]1C[NH+](CCCC[NH2+]Cc2ccc(-c3cnn(C)c3)s2)C[C@H](C)O1 ZINC000282251996 498439842 /nfs/dbraw/zinc/43/98/42/498439842.db2.gz MWPXVQUEFMDTKQ-HOTGVXAUSA-N 2 0 362.543 3.128 20 0 FGADRP COc1ccc(CCNC(=[NH2+])NC[C@@H]2CC[N@H+](C)[C@@H]2c2cccs2)cc1 ZINC000361946425 498443000 /nfs/dbraw/zinc/44/30/00/498443000.db2.gz XEFNHQIVWWFQLQ-LPHOPBHVSA-N 2 0 372.538 3.106 20 0 FGADRP Cc1nn(-c2ccccn2)c(Cl)c1CN1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000293662720 498445651 /nfs/dbraw/zinc/44/56/51/498445651.db2.gz NYKDJCYSBUHXPC-IBGZPJMESA-N 2 0 359.905 3.147 20 0 FGADRP COc1ccc2c(c1F)CC[C@@H]2[NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000290192134 498459160 /nfs/dbraw/zinc/45/91/60/498459160.db2.gz FZKXOLVUANPPJE-XLIONFOSSA-N 2 0 370.468 3.178 20 0 FGADRP CCc1c2ccccc2oc1[C@H](C)[NH2+][C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC000578858007 506038589 /nfs/dbraw/zinc/03/85/89/506038589.db2.gz NZZVGFNKEAVMHQ-HLLQZAQXSA-N 2 0 369.509 3.293 20 0 FGADRP COc1cccc(OC)c1OCCCC[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000290253000 498483356 /nfs/dbraw/zinc/48/33/56/498483356.db2.gz KAEQSPLZZRABJC-QZTJIDSGSA-N 2 0 362.514 3.279 20 0 FGADRP COCCC[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)c1ccc(F)cc1 ZINC000282473368 498526043 /nfs/dbraw/zinc/52/60/43/498526043.db2.gz WLXMWZQAJXOMHX-WOJBJXKFSA-N 2 0 352.494 3.120 20 0 FGADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCc1ncc(C2OCCO2)s1 ZINC000290369260 498527269 /nfs/dbraw/zinc/52/72/69/498527269.db2.gz NGAJGWOGELXGFG-RDJZCZTQSA-N 2 0 373.522 3.189 20 0 FGADRP C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000287042836 498604201 /nfs/dbraw/zinc/60/42/01/498604201.db2.gz IXLYJIDQOMXKBT-GHTZIAJQSA-N 2 0 355.526 3.371 20 0 FGADRP C[C@H](O)[C@](C)(C[NH2+]C1CCN(c2cc[nH+]cc2)CC1)Cc1ccccc1 ZINC000298063923 498654703 /nfs/dbraw/zinc/65/47/03/498654703.db2.gz KIUFZGSAKUIUGP-AVRDEDQJSA-N 2 0 353.510 3.270 20 0 FGADRP C[N@H+](Cc1ccccc1)[C@H]1CCCN(C(=O)CC2CC[NH+](C)CC2)CC1 ZINC000365873961 498681382 /nfs/dbraw/zinc/68/13/82/498681382.db2.gz FFUHDFYJBUMTAA-NRFANRHFSA-N 2 0 357.542 3.231 20 0 FGADRP C[C@@H](CNC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1)[N@H+](C)Cc1ccccc1 ZINC000303517341 498684749 /nfs/dbraw/zinc/68/47/49/498684749.db2.gz YHEKQZDLFMMVSL-FPOVZHCZSA-N 2 0 372.557 3.167 20 0 FGADRP C[C@H](C(=O)N[C@@H](C)c1cccc2ccccc21)[NH+]1CCC(CC[NH3+])CC1 ZINC000572889247 506076267 /nfs/dbraw/zinc/07/62/67/506076267.db2.gz FVBDGVIZEQMSHD-DLBZAZTESA-N 2 0 353.510 3.466 20 0 FGADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)NCc1cccc(C[NH+](C)CC)c1 ZINC000303685850 498705375 /nfs/dbraw/zinc/70/53/75/498705375.db2.gz ZWZNPVUYUCHEPI-HXUWFJFHSA-N 2 0 360.546 3.202 20 0 FGADRP CC[C@H](C(=O)N[C@H](C[NH+](C)C)c1ccc(F)cc1)[N@H+](C)Cc1ccccc1 ZINC000572895573 506077699 /nfs/dbraw/zinc/07/76/99/506077699.db2.gz DAFGBPXUGSBTBR-NHCUHLMSSA-N 2 0 371.500 3.455 20 0 FGADRP COc1cc(C[NH2+]Cc2cccc(C[NH+]3CCCC3)c2)cc(OC)c1O ZINC000298288675 498723245 /nfs/dbraw/zinc/72/32/45/498723245.db2.gz CEPOSJQAKSXQLM-UHFFFAOYSA-N 2 0 356.466 3.295 20 0 FGADRP c1cc(-c2ccc(C[NH2+]C[C@@H]3CCCN(Cc4cccnc4)C3)o2)n[nH]1 ZINC000366045433 498747641 /nfs/dbraw/zinc/74/76/41/498747641.db2.gz SHXCHVSAWLWOHV-KRWDZBQOSA-N 2 0 351.454 3.067 20 0 FGADRP C[C@H]1[C@@H]([NH2+]C2CCN(c3nccs3)CC2)CCN1Cc1ccccc1 ZINC000287421391 498750267 /nfs/dbraw/zinc/75/02/67/498750267.db2.gz SHJUJTXYBQNSCD-LPHOPBHVSA-N 2 0 356.539 3.365 20 0 FGADRP Cc1ccc(OC[C@H](O)C[NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)c(C)c1 ZINC000312646349 498760473 /nfs/dbraw/zinc/76/04/73/498760473.db2.gz KELQXAPHWQXEOM-FGZHOGPDSA-N 2 0 368.521 3.155 20 0 FGADRP CO[C@H]1CC[N@H+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)CC1(C)C ZINC000294714152 498780984 /nfs/dbraw/zinc/78/09/84/498780984.db2.gz CAXOSLFKBLDQHJ-NRFANRHFSA-N 2 0 359.558 3.464 20 0 FGADRP CCC[C@@H]1C[NH2+]CCN1C(=O)NCc1ccc2c(c1)nc(CC)n2C1CC1 ZINC000579098372 506094157 /nfs/dbraw/zinc/09/41/57/506094157.db2.gz YURDBNHEOIKSJY-QGZVFWFLSA-N 2 0 369.513 3.217 20 0 FGADRP Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)c1ccc2c[nH+]cn2c1 ZINC000283282700 498840546 /nfs/dbraw/zinc/84/05/46/498840546.db2.gz DZNVZFDFWZJGNL-UHFFFAOYSA-N 2 0 366.490 3.444 20 0 FGADRP [NH3+]Cc1ccc(CNC(=O)[C@@]23CCC[C@@H]2C[N@H+](Cc2ccccc2)C3)cc1 ZINC000579126389 506099361 /nfs/dbraw/zinc/09/93/61/506099361.db2.gz HOPWFYPNFBUIQD-FYYLOGMGSA-N 2 0 363.505 3.064 20 0 FGADRP OC[C@@H]1CCN(Cc2ccccc2)C[C@@H]1[NH2+]C/C=C\c1ccc(F)cc1 ZINC000573019819 506100474 /nfs/dbraw/zinc/10/04/74/506100474.db2.gz MVMXCYUEFLKYJL-PAUXOOGSSA-N 2 0 354.469 3.312 20 0 FGADRP CC(C)(C)OC(=O)NC[C@@H]1CCC[C@@H]1[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000366279093 498855479 /nfs/dbraw/zinc/85/54/79/498855479.db2.gz GHVQIXKYOLAFBD-BFWZDYSYSA-N 2 0 351.535 3.286 20 0 FGADRP C[C@@H](CC[NH2+]C1CCC(CS(C)(=O)=O)CC1)[N@H+](C)Cc1ccccc1 ZINC000294951335 498859636 /nfs/dbraw/zinc/85/96/36/498859636.db2.gz YMTNFAVOHOILAE-KKXNLOMOSA-N 2 0 366.571 3.090 20 0 FGADRP Cc1ccc(NC(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)c(OCC[NH+](C)C)c1 ZINC000363552591 498874925 /nfs/dbraw/zinc/87/49/25/498874925.db2.gz DYAJECDQBVMFPN-GOSISDBHSA-N 2 0 374.529 3.028 20 0 FGADRP C[N@@H+]1CC[C@H](CNC(=O)c2ccc(C[NH3+])cc2)[C@H]1c1cccc(Cl)c1 ZINC000366331374 498877314 /nfs/dbraw/zinc/87/73/14/498877314.db2.gz VREHVSDIWKFYJW-IEBWSBKVSA-N 2 0 357.885 3.222 20 0 FGADRP COc1cc(OC)c(C[C@H](C)[NH2+]C2CC[NH+](C(C)C)CC2)c(OC)c1 ZINC000295142232 498924085 /nfs/dbraw/zinc/92/40/85/498924085.db2.gz ZYRFOZUEEXFKOJ-HNNXBMFYSA-N 2 0 350.503 3.106 20 0 FGADRP CC(C)[N@H+](C)CC1CC[NH+](Cc2ccc(CN3CCOCC3)cc2)CC1 ZINC000573103669 506120159 /nfs/dbraw/zinc/12/01/59/506120159.db2.gz NXTQAWOWLCKMRQ-UHFFFAOYSA-N 3 0 359.558 3.071 20 0 FGADRP C[NH+](C)Cc1ccc(NC(=O)[C@H]2CC[N@H+](Cc3ccccc3)C2)c(F)c1 ZINC000576291958 506123252 /nfs/dbraw/zinc/12/32/52/506123252.db2.gz XVAAOEVRCRFBJE-SFHVURJKSA-N 2 0 355.457 3.348 20 0 FGADRP C[NH+]1CCC(N2CC[C@@H]([NH2+][C@H](c3ccc(F)cc3)c3ccccn3)C2)CC1 ZINC000363832657 499016773 /nfs/dbraw/zinc/01/67/73/499016773.db2.gz XQZLFMXOKDFFDI-DENIHFKCSA-N 2 0 368.500 3.068 20 0 FGADRP C[C@H]1CCC[C@@H]([NH+]2CCC([NH2+][C@H]3CC[C@@H](C(=O)N4CCCC4)C3)CC2)C1 ZINC000366662480 499022668 /nfs/dbraw/zinc/02/26/68/499022668.db2.gz FTPDBBKYUFDXHE-IZZBFERCSA-N 2 0 361.574 3.410 20 0 FGADRP C[C@H](C(=O)Nc1ccc(C(F)(F)F)cc1)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000579239717 506127783 /nfs/dbraw/zinc/12/77/83/506127783.db2.gz IWFFBLQHSJBLIV-KNPMLCFXSA-N 2 0 355.404 3.092 20 0 FGADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+][C@H]2CCC(=O)NC23CCC3)CC1 ZINC000284067605 499042735 /nfs/dbraw/zinc/04/27/35/499042735.db2.gz MZMYHUSPXLMPHB-MHJFOBGBSA-N 2 0 355.526 3.221 20 0 FGADRP CC[NH+](CC)Cc1ccc(C(=O)N2CCCC3(CC[NH+](C)CC3)C2)cc1 ZINC000366846285 499092514 /nfs/dbraw/zinc/09/25/14/499092514.db2.gz OQQQNEVNGUGDTJ-UHFFFAOYSA-N 2 0 357.542 3.476 20 0 FGADRP Clc1cccc(-c2nc(C[N@@H+]3CC4(CC[NH2+]CC4)[C@@H]4COC[C@@H]43)co2)c1 ZINC000333891147 499093686 /nfs/dbraw/zinc/09/36/86/499093686.db2.gz XCSBXBUDUBGUDD-MSOLQXFVSA-N 2 0 373.884 3.195 20 0 FGADRP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1ccc2c[nH+]cn2c1 ZINC000284359297 499094650 /nfs/dbraw/zinc/09/46/50/499094650.db2.gz NOXKMKCXVSTRCW-LJQANCHMSA-N 2 0 362.477 3.319 20 0 FGADRP CC(=O)NC1CCC([NH2+]CC2CC[NH+](Cc3ccc(C)cc3)CC2)CC1 ZINC000364043608 499096679 /nfs/dbraw/zinc/09/66/79/499096679.db2.gz SMEXCFGTLHEOIF-UHFFFAOYSA-N 2 0 357.542 3.244 20 0 FGADRP Cc1ccc(OCCC[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)cc1C ZINC000367027596 499136039 /nfs/dbraw/zinc/13/60/39/499136039.db2.gz GGJOUXVTUNTGMU-UNMCSNQZSA-N 2 0 359.558 3.030 20 0 FGADRP C[C@H](C[NH2+][C@@H]1CCCOc2c3ccccc3ccc21)N1CC[NH+](C)CC1 ZINC000372771134 499173226 /nfs/dbraw/zinc/17/32/26/499173226.db2.gz XFDLCDSUTBOSCH-DYESRHJHSA-N 2 0 353.510 3.279 20 0 FGADRP C[C@@H](CC[NH+](C)C)NC(=O)C1CC[NH+](Cc2ccc(Cl)s2)CC1 ZINC000370066016 499173710 /nfs/dbraw/zinc/17/37/10/499173710.db2.gz FQMIAGVKGRIKSR-ZDUSSCGKSA-N 2 0 357.951 3.070 20 0 FGADRP C[C@@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccc(Br)cc1 ZINC000370111170 499181988 /nfs/dbraw/zinc/18/19/88/499181988.db2.gz KUXMLSAJGGVACO-RHSMWYFYSA-N 2 0 366.347 3.268 20 0 FGADRP C[C@H]([NH2+][C@@H]1CCCc2n[nH]cc21)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000367584997 499215010 /nfs/dbraw/zinc/21/50/10/499215010.db2.gz CELWNDTWXLMQST-KBXCAEBGSA-N 2 0 357.477 3.029 20 0 FGADRP C[N@@H+]1CC[C@H]2CCN(C(=O)Nc3ccc(CC[NH+]4CCCCC4)cc3)C[C@H]21 ZINC000367592827 499215804 /nfs/dbraw/zinc/21/58/04/499215804.db2.gz GWDGOQHNUYKWSF-PZJWPPBQSA-N 2 0 370.541 3.273 20 0 FGADRP Cn1ccnc1[C@H]1OCC[C@@H]1[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000367606564 499216993 /nfs/dbraw/zinc/21/69/93/499216993.db2.gz KIJZCBYFNOFLAM-JSRAGOMMSA-N 2 0 368.525 3.283 20 0 FGADRP c1[nH]nc2c1[C@@H]([NH2+]CCCOC1CC[NH+](Cc3ccccc3)CC1)CCC2 ZINC000367615201 499218220 /nfs/dbraw/zinc/21/82/20/499218220.db2.gz KIILQNPRRMEPSX-NRFANRHFSA-N 2 0 368.525 3.448 20 0 FGADRP c1[nH]nc2c1[C@H]([NH2+]CCCOC1CC[NH+](Cc3ccccc3)CC1)CCC2 ZINC000367615202 499218379 /nfs/dbraw/zinc/21/83/79/499218379.db2.gz KIILQNPRRMEPSX-OAQYLSRUSA-N 2 0 368.525 3.448 20 0 FGADRP COc1c(C)cc([C@@H](C)[NH2+][C@@H]2CCN(C3CC[NH+](C)CC3)C2)cc1Cl ZINC000367625931 499219262 /nfs/dbraw/zinc/21/92/62/499219262.db2.gz ZSPOKIGMYBOHES-NVXWUHKLSA-N 2 0 365.949 3.476 20 0 FGADRP C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@H]1[NH2+]Cc1cccc(C[NH+]2CCCC2)c1 ZINC000370577674 499232914 /nfs/dbraw/zinc/23/29/14/499232914.db2.gz KZFMAIGHTJCCIF-UEVCKROQSA-N 2 0 371.569 3.261 20 0 FGADRP [NH3+]CCCCCCC(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000370762771 499252151 /nfs/dbraw/zinc/25/21/51/499252151.db2.gz ASONGYJZZYRGJQ-JOCHJYFZSA-N 2 0 357.542 3.410 20 0 FGADRP C[NH2+]Cc1ccc(NC(=O)[C@@H]2CCC[N@H+](Cc3cccc(F)c3)C2)cc1 ZINC000582124923 506139529 /nfs/dbraw/zinc/13/95/29/506139529.db2.gz YXOYTWZEAAMAFF-GOSISDBHSA-N 2 0 355.457 3.396 20 0 FGADRP O=C([C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000371241529 499301443 /nfs/dbraw/zinc/30/14/43/499301443.db2.gz CRXKSABLTPNTSY-SFHLNBCPSA-N 2 0 373.516 3.028 20 0 FGADRP COC1(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)CCOCC1 ZINC000369001769 499355754 /nfs/dbraw/zinc/35/57/54/499355754.db2.gz QQLLRFRACXLZNF-NHCUHLMSSA-N 2 0 358.526 3.169 20 0 FGADRP O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)NC1CC([NH+]2CCCCC2)C1 ZINC000369093365 499365009 /nfs/dbraw/zinc/36/50/09/499365009.db2.gz VGOIJFDBGXYIBK-ACBHZAAOSA-N 2 0 374.529 3.123 20 0 FGADRP C[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CCC[C@@H](c4cccnc4)C3)cn2)CC1 ZINC000369113340 499366775 /nfs/dbraw/zinc/36/67/75/499366775.db2.gz RCTRHRLOFVQFJG-TZIWHRDSSA-N 2 0 365.525 3.044 20 0 FGADRP C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@@H]1[NH2+]CCCCC[NH+]1CCCCC1 ZINC000372066028 499395072 /nfs/dbraw/zinc/39/50/72/499395072.db2.gz VHSRFKBZAGFBCL-NJYVYQBISA-N 2 0 351.579 3.122 20 0 FGADRP C[NH+]1CCN(C[C@H]2CCC[N@H+](Cc3c(Cl)ccc4cccnc43)C2)CC1 ZINC000372369302 499425565 /nfs/dbraw/zinc/42/55/65/499425565.db2.gz MFZBQRQQNDFNCP-QGZVFWFLSA-N 2 0 372.944 3.348 20 0 FGADRP C[NH+](C)Cc1c2ccccc2oc1C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000369680668 499435347 /nfs/dbraw/zinc/43/53/47/499435347.db2.gz WEZSCSOIDQCBPW-HNNXBMFYSA-N 2 0 355.482 3.241 20 0 FGADRP CC(C)[C@H]1C[C@@H]([NH2+]CCC2CC[NH+](C3CCN(C)CC3)CC2)CS1 ZINC000372980730 499445751 /nfs/dbraw/zinc/44/57/51/499445751.db2.gz PGZAYHCFIFPWDZ-UYAOXDASSA-N 2 0 353.620 3.302 20 0 FGADRP CC[NH+](CC)C[C@H]1CCN(Cc2nc3c(s2)C[N@@H+](C(C)C)CC3)C1 ZINC000373258202 499460241 /nfs/dbraw/zinc/46/02/41/499460241.db2.gz GXWKUNUEFUKZMX-MRXNPFEDSA-N 2 0 350.576 3.073 20 0 FGADRP CCn1ccnc1[C@@H]1CCCCN1C(=O)NC[C@@H](C)C[NH+]1CCCCC1 ZINC000373790581 499487947 /nfs/dbraw/zinc/48/79/47/499487947.db2.gz ONWLEHVTOYXTNO-MSOLQXFVSA-N 2 0 361.534 3.262 20 0 FGADRP CCn1ccnc1[C@H]1CCCCN1C(=O)NC[C@@H](C)C[NH+]1CCCCC1 ZINC000373790582 499487958 /nfs/dbraw/zinc/48/79/58/499487958.db2.gz ONWLEHVTOYXTNO-QZTJIDSGSA-N 2 0 361.534 3.262 20 0 FGADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)c1cccn1C1CC[NH2+]CC1)c1ccccc1 ZINC000378201847 499490095 /nfs/dbraw/zinc/49/00/95/499490095.db2.gz KLDSSILQRLNIMO-QGZVFWFLSA-N 2 0 368.525 3.272 20 0 FGADRP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2Cc1ncc(-c2cccc(F)c2)o1 ZINC000378250264 499494433 /nfs/dbraw/zinc/49/44/33/499494433.db2.gz SPZHAPYASFMLPL-SQNIBIBYSA-N 2 0 359.445 3.164 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000375250380 499499221 /nfs/dbraw/zinc/49/92/21/499499221.db2.gz VSCOHGUYNGZYOS-YLJYHZDGSA-N 2 0 357.542 3.134 20 0 FGADRP CN1CCC([NH+]2CCC(CC[N@H+](C)Cc3ccc(Cl)cn3)CC2)CC1 ZINC000378490827 499523811 /nfs/dbraw/zinc/52/38/11/499523811.db2.gz RJHCKIRVICJSIF-UHFFFAOYSA-N 2 0 364.965 3.363 20 0 FGADRP C[C@H]([NH2+]C1CCN(C(=O)c2ccco2)CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000378568163 499532629 /nfs/dbraw/zinc/53/26/29/499532629.db2.gz JPTBJWKXWJLKLR-DLBZAZTESA-N 2 0 359.514 3.127 20 0 FGADRP COC(=O)c1cc(C[NH2+][C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)n(C)c1C ZINC000380460987 499543467 /nfs/dbraw/zinc/54/34/67/499543467.db2.gz PDHDXLZUJRPUNR-LPHOPBHVSA-N 2 0 369.509 3.120 20 0 FGADRP C[NH2+]CCc1ccccc1C(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000382682100 499545713 /nfs/dbraw/zinc/54/57/13/499545713.db2.gz CMSNYDLVGQOQIB-HXUWFJFHSA-N 2 0 365.521 3.043 20 0 FGADRP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)CCN1C(=O)OC(C)(C)C ZINC000375838891 499560884 /nfs/dbraw/zinc/56/08/84/499560884.db2.gz KNUHOUVIZXLCOU-SFFUCWETSA-N 2 0 351.535 3.237 20 0 FGADRP COc1ccc(C2(C[NH2+][C@@H]3CC[N@H+](C)[C@H]4CCC[C@H]43)CCOCC2)cc1 ZINC000375847437 499561681 /nfs/dbraw/zinc/56/16/81/499561681.db2.gz AZMVETFYQXEDHG-HBMCJLEFSA-N 2 0 358.526 3.206 20 0 FGADRP C[NH+](C)CCCC(C)(C)[NH2+]Cc1cc(Br)c2c(c1)OCCO2 ZINC000395664646 499562907 /nfs/dbraw/zinc/56/29/07/499562907.db2.gz HRGCSOPINHSSGA-UHFFFAOYSA-N 2 0 371.319 3.430 20 0 FGADRP Oc1ccc2c(c1)[C@@H]([NH2+]CC1(O)CC[NH+](Cc3ccccc3)CC1)CCC2 ZINC000397625329 499564554 /nfs/dbraw/zinc/56/45/54/499564554.db2.gz XTHORHKAUZQBAI-QFIPXVFZSA-N 2 0 366.505 3.386 20 0 FGADRP Cn1nccc1[C@@H]1CCC[C@@H](Nc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000376080652 499581387 /nfs/dbraw/zinc/58/13/87/499581387.db2.gz KLYBJXLQRJWSOG-IEBWSBKVSA-N 2 0 353.514 3.310 20 0 FGADRP C[C@@H]1C[NH+](CC2CC[NH+](CCCCC3CCOCC3)CC2)C[C@@H](C)O1 ZINC000410349448 499657014 /nfs/dbraw/zinc/65/70/14/499657014.db2.gz PVVQECGDUZCFHX-RTBURBONSA-N 2 0 352.563 3.405 20 0 FGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCc2nc3c(cccc3C)o2)[C@H](C)C1 ZINC000410355892 499657253 /nfs/dbraw/zinc/65/72/53/499657253.db2.gz AGZHTSJZLAOOGU-QZTJIDSGSA-N 2 0 359.514 3.405 20 0 FGADRP COc1ccc2cc(C[N@@H+]3CC[C@@H](N4CC[NH+](C)CC4)[C@H](C)C3)ccc2c1 ZINC000377246764 499673704 /nfs/dbraw/zinc/67/37/04/499673704.db2.gz WIYXZDRHLZFZMI-WZONZLPQSA-N 2 0 367.537 3.306 20 0 FGADRP Cc1nn(C)c(N2CCC[N@H+](C)CC2)c1C[NH2+][C@H]1C[C@H](C)c2ccccc21 ZINC000377563687 499704824 /nfs/dbraw/zinc/70/48/24/499704824.db2.gz MBAAAKXXRCXACN-KKSFZXQISA-N 2 0 367.541 3.209 20 0 FGADRP Fc1cc(-c2ncco2)ccc1C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000411224730 499713868 /nfs/dbraw/zinc/71/38/68/499713868.db2.gz QLMOYAHHXLOGQZ-UHFFFAOYSA-N 2 0 373.472 3.415 20 0 FGADRP CC[C@H]([NH2+]CC(=O)NC1CC[NH+](C(C)C)CC1)c1cccc(Cl)c1 ZINC000411451088 499742245 /nfs/dbraw/zinc/74/22/45/499742245.db2.gz UTZNCQQKQSNAHB-SFHVURJKSA-N 2 0 351.922 3.370 20 0 FGADRP C[C@@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)c1ccc(OCc2nccn2C)cc1 ZINC000414189750 499767225 /nfs/dbraw/zinc/76/72/25/499767225.db2.gz RHKSWWOBDGIMEG-QZTJIDSGSA-N 2 0 356.514 3.382 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(C[NH2+]Cc3cnc(N(C)C)n3C)cc2)C1 ZINC000414277316 499773570 /nfs/dbraw/zinc/77/35/70/499773570.db2.gz AZPVTAWMNGTMHB-HDICACEKSA-N 2 0 369.557 3.254 20 0 FGADRP Cc1c([C@@H](C)[NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)cnn1C(C)C ZINC000414298311 499775499 /nfs/dbraw/zinc/77/54/99/499775499.db2.gz GXHNMFMATLANJQ-GOSISDBHSA-N 2 0 370.541 3.450 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H](CO)c1ccc(F)cc1 ZINC000414313332 499776889 /nfs/dbraw/zinc/77/68/89/499776889.db2.gz OSXOQWPOIIIYTA-PIPMEXSNSA-N 2 0 356.485 3.402 20 0 FGADRP CC[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000414334079 499778610 /nfs/dbraw/zinc/77/86/10/499778610.db2.gz GBHQNMFRHMNUKG-TZIWHRDSSA-N 2 0 357.542 3.442 20 0 FGADRP CC[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000414334074 499778624 /nfs/dbraw/zinc/77/86/24/499778624.db2.gz GBHQNMFRHMNUKG-FPOVZHCZSA-N 2 0 357.542 3.442 20 0 FGADRP O[C@@H]1C[C@@H]([C@@H]2CCCOC2)[N@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000411779483 499789949 /nfs/dbraw/zinc/78/99/49/499789949.db2.gz CVSNTKMZHRGPHT-VSKRKVRLSA-N 2 0 358.526 3.034 20 0 FGADRP CC(C)c1ncc(C[NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)s1 ZINC000414551927 499807149 /nfs/dbraw/zinc/80/71/49/499807149.db2.gz PVFFEKVHIWYTIG-UHFFFAOYSA-N 2 0 359.539 3.383 20 0 FGADRP [NH3+]CC(=O)N1CCC[C@H](C[N@@H+]2CCC[C@H]2c2cccc3ccccc32)C1 ZINC000414683486 499820130 /nfs/dbraw/zinc/82/01/30/499820130.db2.gz BGUVHNFOSZTNLF-UTKZUKDTSA-N 2 0 351.494 3.174 20 0 FGADRP [NH3+]CC(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2CCCc2ccccc2)C1 ZINC000414714841 499822076 /nfs/dbraw/zinc/82/20/76/499822076.db2.gz VYWYIVUEWAKVJA-LEWJYISDSA-N 2 0 357.542 3.061 20 0 FGADRP COC(=O)[C@H]1CSCC[N@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000412090039 499822174 /nfs/dbraw/zinc/82/21/74/499822174.db2.gz XQDJSRSIZZRILH-LJQANCHMSA-N 2 0 362.539 3.011 20 0 FGADRP COCC[N@@H+](Cc1sccc1Br)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414756902 499827134 /nfs/dbraw/zinc/82/71/34/499827134.db2.gz ROMBADMDLPHNOI-STQMWFEESA-N 2 0 361.349 3.347 20 0 FGADRP c1ccc(CC(Cc2ccccc2)C[NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000414773791 499829228 /nfs/dbraw/zinc/82/92/28/499829228.db2.gz SWXRNPQFQGJWIP-XMMPIXPASA-N 2 0 363.549 3.068 20 0 FGADRP c1ccc(OCc2cccnc2)c(C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000414772384 499829241 /nfs/dbraw/zinc/82/92/41/499829241.db2.gz BULTVGSSFRCAEK-VQTJNVASSA-N 2 0 351.494 3.482 20 0 FGADRP Cc1cccn2cc(COc3ccc(C[NH2+]C4CC[NH2+]CC4)cc3)nc12 ZINC000414790104 499831336 /nfs/dbraw/zinc/83/13/36/499831336.db2.gz OVLOPGILFDQGHN-UHFFFAOYSA-N 2 0 350.466 3.063 20 0 FGADRP CC[NH+](CC)CCOc1ccccc1NC(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000414791064 499831726 /nfs/dbraw/zinc/83/17/26/499831726.db2.gz QCOIKKIENGOKSS-GOSISDBHSA-N 2 0 362.518 3.046 20 0 FGADRP C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000414798440 499832529 /nfs/dbraw/zinc/83/25/29/499832529.db2.gz JBSYKVSIQNSVIA-XJKCOSOUSA-N 2 0 373.419 3.409 20 0 FGADRP COc1ccc(NC(=O)C[C@H](C)[NH2+]Cc2ccc([C@H](C)[NH3+])cc2)c(OC)c1 ZINC000414819775 499834338 /nfs/dbraw/zinc/83/43/38/499834338.db2.gz ZQNXVCJZUVKHTJ-GJZGRUSLSA-N 2 0 371.481 3.230 20 0 FGADRP Cc1cccn2cc(COc3ccc(C[NH2+]CC[C@H]4CC[NH2+]C4)cc3)nc12 ZINC000414838852 499836213 /nfs/dbraw/zinc/83/62/13/499836213.db2.gz VUHFJWXEKZEUNB-IBGZPJMESA-N 2 0 364.493 3.311 20 0 FGADRP c1c(C[NH2+]CC[C@H]2CCC[NH2+]C2)c(-c2ccncc2)nn1-c1ccccc1 ZINC000414846254 499837064 /nfs/dbraw/zinc/83/70/64/499837064.db2.gz UMFCFOXGNNSTBN-GOSISDBHSA-N 2 0 361.493 3.414 20 0 FGADRP [NH3+][C@@H](CNCc1csc(-c2cccc(Br)c2)n1)C1CC1 ZINC000414884474 499841214 /nfs/dbraw/zinc/84/12/14/499841214.db2.gz FIBIKMCMCQKTNX-AWEZNQCLSA-N 2 0 352.301 3.400 20 0 FGADRP COc1ccc(C[NH2+]C[C@@]2(C)CCC[NH2+]C2)cc1OCc1cccnc1 ZINC000414917075 499844172 /nfs/dbraw/zinc/84/41/72/499844172.db2.gz QYFGFTRYTIROGO-NRFANRHFSA-N 2 0 355.482 3.149 20 0 FGADRP CCCOc1c(Br)cc(CN[C@@H]2C[NH2+]CC[C@@H]2C)cc1OC ZINC000414930819 499845641 /nfs/dbraw/zinc/84/56/41/499845641.db2.gz PJSMOHMVCKAFCX-SWLSCSKDSA-N 2 0 371.319 3.334 20 0 FGADRP C[C@H]1CN(C(=O)c2cccc(C[NH+]3CCCCC3)c2)CC[N@@H+](C2CC2)C1 ZINC000412359801 499848718 /nfs/dbraw/zinc/84/87/18/499848718.db2.gz CVFXZLWLUDQNKJ-GOSISDBHSA-N 2 0 355.526 3.229 20 0 FGADRP Brc1cc(C[NH2+]CCC[C@H]2CCC[NH2+]2)cc2c1OCCCO2 ZINC000414963059 499849391 /nfs/dbraw/zinc/84/93/91/499849391.db2.gz CNMWVKRPBAPIRY-AWEZNQCLSA-N 2 0 369.303 3.232 20 0 FGADRP C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000414964454 499849528 /nfs/dbraw/zinc/84/95/28/499849528.db2.gz DOTJHDNTUNBIPK-DZGCQCFKSA-N 2 0 368.319 3.288 20 0 FGADRP COCC1(C[NH2+]Cc2cc(Cl)ccc2Br)CC[NH2+]CC1 ZINC000414970997 499850212 /nfs/dbraw/zinc/85/02/12/499850212.db2.gz IEIJUBDGPIHTOO-UHFFFAOYSA-N 2 0 361.711 3.208 20 0 FGADRP C[C@H]1CCN(C(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)C[C@@H]1C[NH3+] ZINC000414973596 499850430 /nfs/dbraw/zinc/85/04/30/499850430.db2.gz ZWSFHMFPBYLGDU-HKUYNNGSSA-N 2 0 358.530 3.164 20 0 FGADRP COCC1(C[NH2+]Cc2ccc(Br)cc2SC)CC[NH2+]CC1 ZINC000414981794 499851233 /nfs/dbraw/zinc/85/12/33/499851233.db2.gz XJWXLGFVVMQPFY-UHFFFAOYSA-N 2 0 373.360 3.277 20 0 FGADRP CC[C@@H]([NH3+])C[NH2+][C@@H](C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000414981414 499851329 /nfs/dbraw/zinc/85/13/29/499851329.db2.gz BQNFYCXICGMJHA-VHSXEESVSA-N 2 0 351.800 3.403 20 0 FGADRP C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+][C@H]1CC[C@@H](C[NH3+])C1 ZINC000415041737 499857395 /nfs/dbraw/zinc/85/73/95/499857395.db2.gz QDQGDYDUVAAOPL-BZPMIXESSA-N 2 0 359.392 3.019 20 0 FGADRP C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+][C@@H]1CC[C@H](C[NH3+])C1 ZINC000415041807 499857419 /nfs/dbraw/zinc/85/74/19/499857419.db2.gz QDQGDYDUVAAOPL-MBNYWOFBSA-N 2 0 359.392 3.019 20 0 FGADRP C[C@H](CCN1C(=O)c2ccccc2C1=O)[NH2+][C@@H](CCC[NH3+])c1ccccc1 ZINC000415053269 499858555 /nfs/dbraw/zinc/85/85/55/499858555.db2.gz MHUXNTFYAFWLAC-UZLBHIALSA-N 2 0 365.477 3.131 20 0 FGADRP CC(C)Oc1cccc([C@@H](NCCCC[NH+]2CCN(C)CC2)C(F)F)c1 ZINC000570411367 506162380 /nfs/dbraw/zinc/16/23/80/506162380.db2.gz NKOCMFFACYWSIE-LJQANCHMSA-N 2 0 369.500 3.397 20 0 FGADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1cccc(CN2CCO[C@@H](C)C2)c1 ZINC000415087125 499862149 /nfs/dbraw/zinc/86/21/49/499862149.db2.gz UAEHVWZFZIOVFL-XQBPLPMBSA-N 2 0 359.558 3.308 20 0 FGADRP FC(F)(F)c1cccc(C2(C[NH2+]C[C@@H]3CCC[NH2+]C3)CCOCC2)c1 ZINC000415094760 499862691 /nfs/dbraw/zinc/86/26/91/499862691.db2.gz YETGXJUTESJULA-OAHLLOKOSA-N 2 0 356.432 3.343 20 0 FGADRP Cc1cc(C[NH+]2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)ccc1Br ZINC000415106912 499864512 /nfs/dbraw/zinc/86/45/12/499864512.db2.gz KBDSKLLBZDZNAK-QZTJIDSGSA-N 2 0 367.331 3.476 20 0 FGADRP C[NH+](C)Cc1ccc(NC(=O)C2CC[NH+]([C@H]3CCSC3)CC2)c(F)c1 ZINC000412585603 499865916 /nfs/dbraw/zinc/86/59/16/499865916.db2.gz VMSDVQWTEXHOIL-INIZCTEOSA-N 2 0 365.518 3.043 20 0 FGADRP COc1ccc(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)cc1OCc1cccnc1 ZINC000415122875 499866487 /nfs/dbraw/zinc/86/64/87/499866487.db2.gz IUXVHCIUWYJDKC-VQIMIIECSA-N 2 0 355.482 3.086 20 0 FGADRP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000415126359 499867160 /nfs/dbraw/zinc/86/71/60/499867160.db2.gz MAXGTXXICYRFIU-IAGOWNOFSA-N 2 0 358.404 3.304 20 0 FGADRP [NH3+][C@H]1CCCO[C@H]1C1CC[NH+](Cc2cccc(OCC(F)(F)F)c2)CC1 ZINC000415130364 499867832 /nfs/dbraw/zinc/86/78/32/499867832.db2.gz QREOPLRJTFWMTA-ROUUACIJSA-N 2 0 372.431 3.346 20 0 FGADRP [NH3+]C1(CNCc2csc(C3CC3)n2)CC[NH+](Cc2ccccc2)CC1 ZINC000415139924 499869551 /nfs/dbraw/zinc/86/95/51/499869551.db2.gz XWXILXAIMQPPMQ-UHFFFAOYSA-N 2 0 356.539 3.104 20 0 FGADRP [NH3+][C@H]1CCC[C@H](CNC(=O)Nc2ccc(OCC[NH+]3CCCCC3)cc2)C1 ZINC000415309800 499885479 /nfs/dbraw/zinc/88/54/79/499885479.db2.gz NJAWUGDAFUYIQS-ROUUACIJSA-N 2 0 374.529 3.190 20 0 FGADRP CC[NH+]1CCN(c2ccccc2NC(=O)[C@H](C)[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000413091336 499912519 /nfs/dbraw/zinc/91/25/19/499912519.db2.gz CELUHUNFGSPBAC-KURKYZTESA-N 2 0 358.530 3.028 20 0 FGADRP Cc1ccc([C@@H](CNC(=O)Nc2ccc3c(c2)C[NH2+]CC3)[NH+]2CCCC2)o1 ZINC000415883416 499923960 /nfs/dbraw/zinc/92/39/60/499923960.db2.gz NKVGTRNBVWXTCK-LJQANCHMSA-N 2 0 368.481 3.192 20 0 FGADRP C[NH2+]Cc1ccccc1NC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000415914028 499927527 /nfs/dbraw/zinc/92/75/27/499927527.db2.gz UBTKEYWRHSUKQO-PXNSSMCTSA-N 2 0 366.509 3.438 20 0 FGADRP C[NH2+]Cc1ccccc1NC(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000415915063 499928056 /nfs/dbraw/zinc/92/80/56/499928056.db2.gz XWXDYGCUVJBZMN-LJQANCHMSA-N 2 0 366.509 3.392 20 0 FGADRP C[NH2+]Cc1ccccc1NC(=O)N[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000415922064 499928774 /nfs/dbraw/zinc/92/87/74/499928774.db2.gz NGVOGBYXLAVUAC-PXNSSMCTSA-N 2 0 366.509 3.438 20 0 FGADRP CC[C@@H](CNC(=O)Nc1cccc(C[NH2+]C)c1)[N@@H+]1CCc2ccccc2C1 ZINC000415927395 499929480 /nfs/dbraw/zinc/92/94/80/499929480.db2.gz FOJFLLUVINMSKZ-NRFANRHFSA-N 2 0 366.509 3.364 20 0 FGADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)Nc1ccc(OCC[NH3+])cc1 ZINC000415939343 499931120 /nfs/dbraw/zinc/93/11/20/499931120.db2.gz QSSDEPNRLZKUGQ-UHFFFAOYSA-N 2 0 370.497 3.186 20 0 FGADRP C[NH2+]Cc1cccc(NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000415943776 499931471 /nfs/dbraw/zinc/93/14/71/499931471.db2.gz MZABMAJTFAVKPJ-UTKZUKDTSA-N 2 0 366.509 3.438 20 0 FGADRP C[NH2+]Cc1cccc(NC(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000415968692 499935297 /nfs/dbraw/zinc/93/52/97/499935297.db2.gz XYUDGRVFTNEWFK-LJQANCHMSA-N 2 0 352.482 3.050 20 0 FGADRP C[C@H]1C[C@H](NC(=O)Nc2ccc(C[NH3+])cc2)CC[N@@H+]1Cc1ccccc1 ZINC000415971256 499935519 /nfs/dbraw/zinc/93/55/19/499935519.db2.gz GFTHUBPQLCQQIX-OXJNMPFZSA-N 2 0 352.482 3.320 20 0 FGADRP C[C@H]1C[C@@H](N(C)C(=O)Nc2cc(C[NH3+])cc(C(F)(F)F)c2)CC[N@@H+]1C ZINC000415974736 499935947 /nfs/dbraw/zinc/93/59/47/499935947.db2.gz SASZXYVMFRPRGL-NHYWBVRUSA-N 2 0 358.408 3.111 20 0 FGADRP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)N1CCC([C@H]2[NH2+]CC2(C)C)CC1 ZINC000417047787 499957418 /nfs/dbraw/zinc/95/74/18/499957418.db2.gz QXXJUJYCLUAIPK-PKOBYXMFSA-N 2 0 364.578 3.061 20 0 FGADRP C[C@@H](NC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)C(C)(C)C[NH+](C)C ZINC000428970217 499971288 /nfs/dbraw/zinc/97/12/88/499971288.db2.gz XSEBRIBWUWCXDT-GGPKGHCWSA-N 2 0 374.573 3.173 20 0 FGADRP C[C@@H]([NH3+])c1ccc(CNC(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000417103364 499973393 /nfs/dbraw/zinc/97/33/93/499973393.db2.gz DAQCPBOGDGEBGV-DYESRHJHSA-N 2 0 366.509 3.170 20 0 FGADRP C[NH+](C)CCOc1ccc(NC(=O)C[C@@H](c2ccccc2)[NH+](C)C)c(F)c1 ZINC000416256121 499997428 /nfs/dbraw/zinc/99/74/28/499997428.db2.gz YKNZNOWFWYLVQH-FQEVSTJZSA-N 2 0 373.472 3.398 20 0 FGADRP CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000429075679 499998530 /nfs/dbraw/zinc/99/85/30/499998530.db2.gz QYSTVGUYQZCWAO-FQEVSTJZSA-N 2 0 360.546 3.058 20 0 FGADRP C[C@@H]([NH3+])c1ccc(CNC(=O)NCC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000417217059 500008382 /nfs/dbraw/zinc/00/83/82/500008382.db2.gz COOXEECJBYXTQB-BRWVUGGUSA-N 2 0 360.546 3.262 20 0 FGADRP C[N@H+](Cc1ccccc1CNC(=O)NCC1=CC[NH2+]CC1)C1CCCCC1 ZINC000417221441 500008799 /nfs/dbraw/zinc/00/87/99/500008799.db2.gz OTHMAJYCLAFPDE-UHFFFAOYSA-N 2 0 370.541 3.170 20 0 FGADRP CC[C@H]([NH3+])CNC(=O)NC[C@H](c1ccc(C(F)(F)F)cc1)[NH+](CC)CC ZINC000417295225 500031884 /nfs/dbraw/zinc/03/18/84/500031884.db2.gz JMKHHQQLRKGXMM-JKSUJKDBSA-N 2 0 374.451 3.125 20 0 FGADRP CC[NH+]1CCN(c2ccccc2C[NH2+]C[C@H]2CC23CCSCC3)CC1 ZINC000421393566 500035807 /nfs/dbraw/zinc/03/58/07/500035807.db2.gz YLJOQGWLTUGJOR-LJQANCHMSA-N 2 0 359.583 3.451 20 0 FGADRP CC(C)C[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C1CC1)[NH2+][C@H](C)c1ccccc1 ZINC000429364312 500060150 /nfs/dbraw/zinc/06/01/50/500060150.db2.gz QSGFHQSSGWZPTE-YFVAEKQCSA-N 2 0 357.542 3.495 20 0 FGADRP CC(C)C[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C1CC1)[NH2+][C@H](C)c1ccccc1 ZINC000429364311 500060412 /nfs/dbraw/zinc/06/04/12/500060412.db2.gz QSGFHQSSGWZPTE-QFUCXCTJSA-N 2 0 357.542 3.495 20 0 FGADRP CC1CC[NH+](Cc2cccc(CNC(=O)N3CCC[C@H](CC[NH3+])C3)c2)CC1 ZINC000417458023 500079665 /nfs/dbraw/zinc/07/96/65/500079665.db2.gz CGELEXZZGWQQFV-LJQANCHMSA-N 2 0 372.557 3.189 20 0 FGADRP CC[NH+](CC)[C@H](C(=O)NCC[C@H]1CC[NH2+]C1)c1cccc(C(F)(F)F)c1 ZINC000429446426 500079785 /nfs/dbraw/zinc/07/97/85/500079785.db2.gz OHFREGMZTIWNMC-PBHICJAKSA-N 2 0 371.447 3.204 20 0 FGADRP CC1CC[NH+](Cc2cccc(CNC(=O)N3CC[C@@H](C)[C@H](C[NH3+])C3)c2)CC1 ZINC000417469500 500082885 /nfs/dbraw/zinc/08/28/85/500082885.db2.gz QIQYGWYTXFLMOS-WIYYLYMNSA-N 2 0 372.557 3.045 20 0 FGADRP CC[NH+](CC)CCOC1CC[NH+](Cc2ccc(-c3ccccn3)nc2)CC1 ZINC000425423162 500101453 /nfs/dbraw/zinc/10/14/53/500101453.db2.gz TXTUSAYPNJFXKE-UHFFFAOYSA-N 2 0 368.525 3.466 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)NCc1ccc2c(c1)C[NH2+]C2)c1ccccc1 ZINC000416834139 500133452 /nfs/dbraw/zinc/13/34/52/500133452.db2.gz DCUQLBVBAVKMKT-OAQYLSRUSA-N 2 0 366.509 3.172 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1)c1ccccc1 ZINC000416842046 500135484 /nfs/dbraw/zinc/13/54/84/500135484.db2.gz MOGJXAOBYJZFHI-SFTDATJTSA-N 2 0 372.557 3.243 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)N1CCC[C@@H]1C[NH2+]C)c1ccccc1Cl ZINC000416855228 500139284 /nfs/dbraw/zinc/13/92/84/500139284.db2.gz VTYMYEKHWQAEPQ-QAPCUYQASA-N 2 0 366.937 3.116 20 0 FGADRP C[NH+](C)Cc1ccc(C(=O)NC[C@H](C[NH+](C)C)c2ccc(Cl)cc2)cc1 ZINC000576524641 506178310 /nfs/dbraw/zinc/17/83/10/506178310.db2.gz RVJTWTFYSZWRKT-LJQANCHMSA-N 2 0 373.928 3.477 20 0 FGADRP C[C@@H]([NH2+]CCCC[NH+]1CCN(c2ccccc2)CC1)c1cc2n(n1)CCC2 ZINC000414064343 500142569 /nfs/dbraw/zinc/14/25/69/500142569.db2.gz FOKSSDWJQKLVRM-LJQANCHMSA-N 2 0 367.541 3.082 20 0 FGADRP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000417677521 500146907 /nfs/dbraw/zinc/14/69/07/500146907.db2.gz FVZNIKGPOAYEKY-YVWKXTFCSA-N 2 0 358.530 3.029 20 0 FGADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000416892490 500148760 /nfs/dbraw/zinc/14/87/60/500148760.db2.gz OTVKHLAYYVFXQC-HXUWFJFHSA-N 2 0 360.546 3.187 20 0 FGADRP C[C@H]([NH2+]CCc1ccc(OCC[NH+]2C[C@H](C)[C@@H](C)C2)cc1)c1ccn(C)n1 ZINC000414094193 500151910 /nfs/dbraw/zinc/15/19/10/500151910.db2.gz GIMJCMJJLMTCAF-FHWLQOOXSA-N 2 0 370.541 3.280 20 0 FGADRP CC(C)(C)O[C@@H]1C[C@H]([NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)C1(C)C ZINC000414098864 500152581 /nfs/dbraw/zinc/15/25/81/500152581.db2.gz SZUSEYMJOBBNSE-YDZRNGNQSA-N 2 0 352.563 3.326 20 0 FGADRP CC[NH2+]CC1CCN(C(=O)NCC(C)(C)[NH2+][C@@H](C)c2ccccc2)CC1 ZINC000417705721 500153098 /nfs/dbraw/zinc/15/30/98/500153098.db2.gz NUCXKCVWPSYNSJ-KRWDZBQOSA-N 2 0 360.546 3.147 20 0 FGADRP CCC(CC)(CNC(=O)N(C1CC1)[C@H]1CC[NH2+]C1)[NH2+][C@H](C)c1ccccc1 ZINC000417705735 500153662 /nfs/dbraw/zinc/15/36/62/500153662.db2.gz NUOZHJIYSFIATL-XLIONFOSSA-N 2 0 372.557 3.432 20 0 FGADRP CCC(CC)(CNC(=O)N1CC[C@@]2(CC[NH2+]C2)C1)[NH2+][C@@H](C)c1ccccc1 ZINC000417712816 500154600 /nfs/dbraw/zinc/15/46/00/500154600.db2.gz XHTSETBKJSTVNR-GHTZIAJQSA-N 2 0 372.557 3.291 20 0 FGADRP CC(C)C[NH+]1CCC(NC(=O)N[C@@H](C[NH3+])c2ccc3ccccc3c2)CC1 ZINC000416948102 500164395 /nfs/dbraw/zinc/16/43/95/500164395.db2.gz YTKAVKVFFQRJKU-NRFANRHFSA-N 2 0 368.525 3.259 20 0 FGADRP C[C@@H](CCCC[NH3+])NC(=O)NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000416971578 500170589 /nfs/dbraw/zinc/17/05/89/500170589.db2.gz PVYVMTRAENYAPB-ROUUACIJSA-N 2 0 360.546 3.235 20 0 FGADRP CCCN(C(=O)NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1)[C@@H]1CC[NH2+]C1 ZINC000416970980 500170618 /nfs/dbraw/zinc/17/06/18/500170618.db2.gz ONEACTANZWEXRE-WIYYLYMNSA-N 2 0 372.557 3.202 20 0 FGADRP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)NCCC1=CC[NH2+]CC1 ZINC000416973286 500171353 /nfs/dbraw/zinc/17/13/53/500171353.db2.gz JPUVRFIOSZNUKF-SFHVURJKSA-N 2 0 370.541 3.170 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N2CCC[C@H](CC[NH3+])C2)cc1 ZINC000416972863 500171588 /nfs/dbraw/zinc/17/15/88/500171588.db2.gz IUPTYJOIABUACO-UYAOXDASSA-N 2 0 372.557 3.331 20 0 FGADRP CC(C)[NH+](CCCNC(=O)N1CCCC[C@@H]1[C@H]1CCC[NH2+]C1)C(C)C ZINC000417800364 500174206 /nfs/dbraw/zinc/17/42/06/500174206.db2.gz SLJJOZIMVMIRRQ-RBUKOAKNSA-N 2 0 352.567 3.059 20 0 FGADRP C[C@@H](CCNC(=O)N(CC[NH3+])Cc1ccccc1)[N@H+](C)Cc1ccccc1 ZINC000417823250 500179163 /nfs/dbraw/zinc/17/91/63/500179163.db2.gz YHQOZQNJWOHQEX-IBGZPJMESA-N 2 0 368.525 3.068 20 0 FGADRP CC(C)c1ccc([C@H]([NH3+])CNC(=O)NC[C@@H](c2ccsc2)[NH+](C)C)cc1 ZINC000417018776 500184953 /nfs/dbraw/zinc/18/49/53/500184953.db2.gz QJOKWOKPYQFUKW-MOPGFXCFSA-N 2 0 374.554 3.473 20 0 FGADRP C[N@H+](CCCNC(=O)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]C1)C1CCCCC1 ZINC000417023737 500186528 /nfs/dbraw/zinc/18/65/28/500186528.db2.gz WJFKWHAWCANJGJ-UYAOXDASSA-N 2 0 364.578 3.205 20 0 FGADRP CN(C)C(=O)c1ccccc1C[NH2+]CC1CC[NH+](Cc2ccccc2)CC1 ZINC000417868198 500187724 /nfs/dbraw/zinc/18/77/24/500187724.db2.gz GDPNDKUTXBKABZ-UHFFFAOYSA-N 2 0 365.521 3.390 20 0 FGADRP CC(C)C[C@H](CNC(=O)N1CC[C@H](C)[C@@H](C[NH3+])C1)[NH2+][C@@H](C)c1ccccc1 ZINC000417871019 500187935 /nfs/dbraw/zinc/18/79/35/500187935.db2.gz JCRQQTGKBFPIFT-JYAXBFRTSA-N 2 0 374.573 3.378 20 0 FGADRP CCCC[N@H+](CC)Cc1cccc(CNC(=O)N2C[C@@H](C[NH3+])C[C@H]2C)c1 ZINC000417874488 500189230 /nfs/dbraw/zinc/18/92/30/500189230.db2.gz KLRLDQJJBLNAEG-YLJYHZDGSA-N 2 0 360.546 3.187 20 0 FGADRP CCCC[N@H+](CC)Cc1cccc(CNC(=O)N2CC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000417887878 500192388 /nfs/dbraw/zinc/19/23/88/500192388.db2.gz WYIOMHMCXKBMCD-JOCHJYFZSA-N 2 0 372.557 3.204 20 0 FGADRP C[NH+](C)Cc1ccc(CNC(=O)N[C@H](CCC[NH3+])c2ccccc2)cc1F ZINC000417926349 500199523 /nfs/dbraw/zinc/19/95/23/500199523.db2.gz DIKIFIFHQUHRTE-HXUWFJFHSA-N 2 0 372.488 3.167 20 0 FGADRP C[C@@H]1C[C@H](CCNC(=O)NCCC[C@@H]2CCC[NH2+]2)C[N@@H+]1Cc1ccccc1 ZINC000417933066 500199802 /nfs/dbraw/zinc/19/98/02/500199802.db2.gz XEVCJBKWVUIJKC-GIVPXCGWSA-N 2 0 372.557 3.119 20 0 FGADRP C[C@@H]1C[C@H](CCNC(=O)NC[C@H]2CCC[C@H]([NH3+])C2)C[N@@H+]1Cc1ccccc1 ZINC000417932030 500199841 /nfs/dbraw/zinc/19/98/41/500199841.db2.gz WKYCTSXIYRBYBB-HZEGPAAWSA-N 2 0 372.557 3.104 20 0 FGADRP CC(C)N1CC[C@@H](NC(=O)N[C@@H](C)[C@H](C)[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000418009729 500213666 /nfs/dbraw/zinc/21/36/66/500213666.db2.gz SCTZEHJKSQLGIK-NQERCMRGSA-N 2 0 370.900 3.038 20 0 FGADRP CCOc1ccc(CN(C)C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000425944683 500214884 /nfs/dbraw/zinc/21/48/84/500214884.db2.gz NYIMNICZPGAHON-JOCHJYFZSA-N 2 0 354.494 3.154 20 0 FGADRP CCn1nncc1C[N@@H+]1CC(C)(C)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000418075613 500226223 /nfs/dbraw/zinc/22/62/23/500226223.db2.gz HJWRAFHDXZSNLT-NRFANRHFSA-N 2 0 367.541 3.421 20 0 FGADRP CCOCCOc1ccc(Br)cc1C[NH2+][C@@H](C)C[C@H](C)[NH3+] ZINC000579473941 506183447 /nfs/dbraw/zinc/18/34/47/506183447.db2.gz UESWVXJGBATPGP-STQMWFEESA-N 2 0 359.308 3.080 20 0 FGADRP C[NH+](C)C1CCC(NC(=O)N(Cc2ccccc2)C2CC[NH+](C)CC2)CC1 ZINC000422236692 500238600 /nfs/dbraw/zinc/23/86/00/500238600.db2.gz HVIVWJUZLQVDFK-UHFFFAOYSA-N 2 0 372.557 3.165 20 0 FGADRP C[NH+](C)C1CCC(NC(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)CC1 ZINC000422246497 500241026 /nfs/dbraw/zinc/24/10/26/500241026.db2.gz SNNDYYZJFWPJEC-XEVCZEQESA-N 2 0 364.578 3.157 20 0 FGADRP CC[NH2+]CC1CCN(C(=O)N[C@@H](C)[C@@H](c2ccccc2C)[NH+](C)C)CC1 ZINC000418182728 500244186 /nfs/dbraw/zinc/24/41/86/500244186.db2.gz NHFNNAAYEJTZQD-PXNSSMCTSA-N 2 0 360.546 3.017 20 0 FGADRP C[C@H](NC(=O)N1CCC([C@H]2[NH2+]CC2(C)C)CC1)[C@@H](c1ccccc1)[NH+](C)C ZINC000418188911 500245754 /nfs/dbraw/zinc/24/57/54/500245754.db2.gz UWOUUEFNIZOYGQ-FFZOFVMBSA-N 2 0 372.557 3.097 20 0 FGADRP CC[NH2+]CC1CC[NH+](CC(=O)N[C@H](C)c2cccc3ccccc32)CC1 ZINC000430541971 500251413 /nfs/dbraw/zinc/25/14/13/500251413.db2.gz JKLLQJRBLCLUQZ-QGZVFWFLSA-N 2 0 353.510 3.339 20 0 FGADRP CC[NH2+]CC1CC[NH+]([C@H](C)C(=O)N[C@H](C)c2cc3ccccc3o2)CC1 ZINC000430549661 500252834 /nfs/dbraw/zinc/25/28/34/500252834.db2.gz NJEAGLFAEJVMDP-HZPDHXFCSA-N 2 0 357.498 3.320 20 0 FGADRP C[N@H+](CCC(=O)NC(c1ccccc1)c1ccccc1)CC(C)(C)C[NH3+] ZINC000430561362 500254847 /nfs/dbraw/zinc/25/48/47/500254847.db2.gz KPCJJEBJQJKLIY-UHFFFAOYSA-N 2 0 353.510 3.199 20 0 FGADRP [NH3+]C[C@H]1CCC[N@H+](CCC(=O)Nc2ccc(Oc3ccccc3)cc2)C1 ZINC000430609053 500261742 /nfs/dbraw/zinc/26/17/42/500261742.db2.gz GIXYIUCIFGBOMX-QGZVFWFLSA-N 2 0 353.466 3.478 20 0 FGADRP CC[N@H+](CCC1CCN(C(=O)NCC2([NH3+])CCCCC2)CC1)CC1CC1 ZINC000418322527 500261952 /nfs/dbraw/zinc/26/19/52/500261952.db2.gz SVOKZKBURNOSPV-UHFFFAOYSA-N 2 0 364.578 3.192 20 0 FGADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)NC[C@@H]([NH3+])c2ccc(C(C)C)cc2)C1 ZINC000418352017 500267174 /nfs/dbraw/zinc/26/71/74/500267174.db2.gz MBNMBNHGHBJAIF-YLJYHZDGSA-N 2 0 360.546 3.183 20 0 FGADRP C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)NCC[C@H]2CCC[NH2+]C2)CC1 ZINC000418356044 500267790 /nfs/dbraw/zinc/26/77/90/500267790.db2.gz XLAWVEADUYSERN-AZUAARDMSA-N 2 0 364.578 3.062 20 0 FGADRP CC[N@H+](CCC1CCN(C(=O)N[C@@H]2CCCC[C@H]2C[NH3+])CC1)CC1CC1 ZINC000418407029 500272756 /nfs/dbraw/zinc/27/27/56/500272756.db2.gz FPBDPAFXEJOPAX-VQTJNVASSA-N 2 0 364.578 3.048 20 0 FGADRP C[N@H+](Cc1ccccc1CNC(=O)NC(C)(C)CC[NH3+])C1CCCCC1 ZINC000422597065 500280323 /nfs/dbraw/zinc/28/03/23/500280323.db2.gz JAVQOJPFYFRTEL-UHFFFAOYSA-N 2 0 360.546 3.378 20 0 FGADRP Cc1cnccc1OC1CCN(C(=O)NCc2ccc([C@H](C)[NH3+])cc2)CC1 ZINC000418486908 500282567 /nfs/dbraw/zinc/28/25/67/500282567.db2.gz IZTWWVLFJWBPCD-INIZCTEOSA-N 2 0 368.481 3.163 20 0 FGADRP C[C@@H]([NH3+])c1ccc(CNC(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000418488873 500282576 /nfs/dbraw/zinc/28/25/76/500282576.db2.gz KYIREYFDWVHAGK-DYESRHJHSA-N 2 0 366.509 3.122 20 0 FGADRP C[NH+](C)CCC1CCN(C(=O)N[C@@H](C[NH3+])c2ccc3ccccc3c2)CC1 ZINC000418498782 500284364 /nfs/dbraw/zinc/28/43/64/500284364.db2.gz KVDMGXROACATCK-NRFANRHFSA-N 2 0 368.525 3.213 20 0 FGADRP O=C1CCCN1Cc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)cc1 ZINC000422715775 500289589 /nfs/dbraw/zinc/28/95/89/500289589.db2.gz MPTSWDPKRAAGFQ-PWRODBHTSA-N 2 0 355.526 3.209 20 0 FGADRP C[C@@H]1C[C@H](N(C)C(=O)NC[C@]2(C)CCC[NH2+]C2)CC[N@@H+]1Cc1ccccc1 ZINC000418550149 500290630 /nfs/dbraw/zinc/29/06/30/500290630.db2.gz TUSBAQNTXQMWRW-SYYKKAFVSA-N 2 0 372.557 3.071 20 0 FGADRP C[C@H](N[C@@H]1C[C@@H]([NH3+])c2ccccc21)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000422741130 500292389 /nfs/dbraw/zinc/29/23/89/500292389.db2.gz ODONDSKXLQQEOF-IWMITWMQSA-N 2 0 368.500 3.373 20 0 FGADRP COc1cccc(N2CCC[C@@H]([NH2+][C@@H](C)c3ccc(C[NH3+])nc3C)C2)c1 ZINC000422768868 500295695 /nfs/dbraw/zinc/29/56/95/500295695.db2.gz VAFDJBUEPVBEOG-FUHWJXTLSA-N 2 0 354.498 3.177 20 0 FGADRP COc1ccc([C@H](NC[C@@H](c2cccs2)[NH+](C)C)[C@@H]2CCC[NH2+]2)cc1 ZINC000422771243 500296139 /nfs/dbraw/zinc/29/61/39/500296139.db2.gz XGVQSXIRWOSNLC-BJLQDIEVSA-N 2 0 359.539 3.442 20 0 FGADRP COc1ccc(C[NH+]2CCC(C[NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)CC2)cc1 ZINC000422788158 500297134 /nfs/dbraw/zinc/29/71/34/500297134.db2.gz VHPJGKOZGWNODK-XPWALMASSA-N 3 0 371.569 3.418 20 0 FGADRP COc1ccc(C[NH+]2CCC(C[NH2+][C@@H](C)c3cnccc3N)CC2)cc1 ZINC000422782881 500297143 /nfs/dbraw/zinc/29/71/43/500297143.db2.gz NPLBVCGITZWQHM-INIZCTEOSA-N 2 0 354.498 3.066 20 0 FGADRP Cc1ccc([C@H]([NH2+]C2CCC([NH3+])CC2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000422800149 500299513 /nfs/dbraw/zinc/29/95/13/500299513.db2.gz ZGSIODRZORJZPA-GRERDSQWSA-N 2 0 372.534 3.347 20 0 FGADRP CCOC(=O)C1([C@H](C)[NH2+][C@@H](Cc2ccc(F)cc2)C(C)C)CC[NH2+]CC1 ZINC000422805493 500300351 /nfs/dbraw/zinc/30/03/51/500300351.db2.gz JFGLKLHRJJBWDM-LPHOPBHVSA-N 2 0 364.505 3.304 20 0 FGADRP C[NH+](C)CCCC1CCN(C(=O)N[C@@H](CCC[NH3+])c2ccccc2)CC1 ZINC000418654119 500301874 /nfs/dbraw/zinc/30/18/74/500301874.db2.gz AAXRZVWMWDCKFE-FQEVSTJZSA-N 2 0 360.546 3.230 20 0 FGADRP COc1ccc(Cl)cc1NC(=O)CC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000422824262 500302947 /nfs/dbraw/zinc/30/29/47/500302947.db2.gz NEPZDYAUDYHBCJ-OAGGEKHMSA-N 2 0 365.905 3.188 20 0 FGADRP OC1CC[NH+](Cc2ccccc2C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)CC1 ZINC000422840511 500304050 /nfs/dbraw/zinc/30/40/50/500304050.db2.gz TVVPSJYUUIVKGU-DNVJHFABSA-N 3 0 371.569 3.044 20 0 FGADRP C([NH2+][C@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)C1(N2CCSCC2)CCCC1 ZINC000422853915 500305882 /nfs/dbraw/zinc/30/58/82/500305882.db2.gz ZLJAAJVEMZXKAV-OTWHNJEPSA-N 2 0 351.604 3.248 20 0 FGADRP COc1ccccc1N1CC[C@H](C[NH2+][C@H](Cc2ccccc2)[C@@H](C)[NH3+])C1 ZINC000422851985 500306148 /nfs/dbraw/zinc/30/61/48/500306148.db2.gz PXUACVKBFNFUKB-MISYRCLQSA-N 2 0 353.510 3.070 20 0 FGADRP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](CCC(=O)NC(c2ccccc2)c2ccccc2)C1 ZINC000430924801 500307779 /nfs/dbraw/zinc/30/77/79/500307779.db2.gz JOBYCVKQWRLZGF-WIYYLYMNSA-N 2 0 365.521 3.342 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000418689070 500308753 /nfs/dbraw/zinc/30/87/53/500308753.db2.gz UPNAKMGZXIRSNP-VAMGGRTRSA-N 2 0 372.557 3.058 20 0 FGADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1ccc(N2C[C@@H](C)O[C@@H](C)C2)nc1 ZINC000422876326 500308973 /nfs/dbraw/zinc/30/89/73/500308973.db2.gz GERGKGJOTPJTIJ-FTEYMNFISA-N 2 0 360.546 3.096 20 0 FGADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]CC(C)(C)c1cccc(Br)c1 ZINC000422879791 500309676 /nfs/dbraw/zinc/30/96/76/500309676.db2.gz MQJMNAIODBERFK-RCBQFDQVSA-N 2 0 355.320 3.069 20 0 FGADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]CC(C)(C)c1cccc(Br)c1 ZINC000422879790 500309778 /nfs/dbraw/zinc/30/97/78/500309778.db2.gz MQJMNAIODBERFK-MAZHCROVSA-N 2 0 355.320 3.069 20 0 FGADRP C[C@@H]([NH3+])C1CC[NH+]([C@@H](C)C(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)CC1 ZINC000430939725 500310491 /nfs/dbraw/zinc/31/04/91/500310491.db2.gz MHOYNKNCHJNVLE-IKGGRYGDSA-N 2 0 357.542 3.190 20 0 FGADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1 ZINC000422887475 500310559 /nfs/dbraw/zinc/31/05/59/500310559.db2.gz YUPMIFXEUNTIQN-HEHGZKQESA-N 2 0 357.420 3.084 20 0 FGADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]C1CCN(Cc2ccc(Br)cc2)CC1 ZINC000422896990 500312780 /nfs/dbraw/zinc/31/27/80/500312780.db2.gz ZAYUPSOVLOQBNV-ZIAGYGMSSA-N 2 0 354.336 3.129 20 0 FGADRP O[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)COc1cccc(Cl)c1Cl ZINC000422898230 500313019 /nfs/dbraw/zinc/31/30/19/500313019.db2.gz DSWBKWMJTKVGBC-OCVGTWLNSA-N 2 0 373.324 3.243 20 0 FGADRP Cc1ccc([C@H](NC(=O)C[NH+]2CCC([C@H](C)[NH3+])CC2)c2cccs2)cc1 ZINC000430956351 500313034 /nfs/dbraw/zinc/31/30/34/500313034.db2.gz OGPNTZPLDAPJHT-KKSFZXQISA-N 2 0 371.550 3.321 20 0 FGADRP [NH3+]CC1CCC([NH2+]C[C@@H]2CCN(c3cccc(Br)c3)C2)CC1 ZINC000422897145 500313141 /nfs/dbraw/zinc/31/31/41/500313141.db2.gz JEHKDQHLPKEDCA-CKDBGZEDSA-N 2 0 366.347 3.383 20 0 FGADRP C[C@@H]1C[C@H](N(C)C(=O)NC[C@@H]2CCC[C@H]([NH3+])C2)CC[N@@H+]1Cc1ccccc1 ZINC000418733429 500314497 /nfs/dbraw/zinc/31/44/97/500314497.db2.gz KXVFFKUYYSFCKG-AYWYSENESA-N 2 0 372.557 3.198 20 0 FGADRP CCOC(=O)C1([C@@H](C)[NH2+][C@@H](C)c2nc3ccccc3n2CC)CC[NH2+]CC1 ZINC000422909316 500315305 /nfs/dbraw/zinc/31/53/05/500315305.db2.gz FPNQMLKJAGLWNO-JKSUJKDBSA-N 2 0 372.513 3.028 20 0 FGADRP CC[NH+]1CCN(c2ccccc2N[C@@H](C)c2ccc(C[NH3+])nc2C)CC1 ZINC000422920001 500316936 /nfs/dbraw/zinc/31/69/36/500316936.db2.gz LLTZBCUDAYFCJD-KRWDZBQOSA-N 2 0 353.514 3.164 20 0 FGADRP CCOC(=O)C1([C@H](C)[NH2+]C[C@@H](CC)Oc2ccccc2C)CC[NH2+]CC1 ZINC000422919354 500317180 /nfs/dbraw/zinc/31/71/80/500317180.db2.gz JQOIQWFFDXOIFC-ZWKOTPCHSA-N 2 0 362.514 3.063 20 0 FGADRP CCOC(=O)C1([C@H](C)[NH2+][C@H](C)c2c(F)cccc2Cl)CC[NH2+]CC1 ZINC000422922040 500317194 /nfs/dbraw/zinc/31/71/94/500317194.db2.gz RQBWYDONALSHHE-OLZOCXBDSA-N 2 0 356.869 3.451 20 0 FGADRP COc1cc(OC)cc(OCCC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)c1 ZINC000422929019 500318478 /nfs/dbraw/zinc/31/84/78/500318478.db2.gz NXZLDZSNDBQFKW-QHAWAJNXSA-N 2 0 362.514 3.373 20 0 FGADRP [NH3+]CC1CCC([NH2+]Cc2nnc3c(Cl)cc(C(F)(F)F)cn23)CC1 ZINC000422930972 500319142 /nfs/dbraw/zinc/31/91/42/500319142.db2.gz AIBNHSYGGYESGY-UHFFFAOYSA-N 2 0 361.799 3.009 20 0 FGADRP O=c1ccccn1Cc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)cc1 ZINC000422949394 500321655 /nfs/dbraw/zinc/32/16/55/500321655.db2.gz TZFDENHSJBXQJO-BHDDXSALSA-N 2 0 365.521 3.297 20 0 FGADRP C[C@H](NC(=O)C[NH+]1CCC2(CC[NH2+]C2)CC1)c1ccc2ccccc2c1 ZINC000431015203 500323242 /nfs/dbraw/zinc/32/32/42/500323242.db2.gz SDTDWQWGNINXHJ-KRWDZBQOSA-N 2 0 351.494 3.093 20 0 FGADRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)Nc1ccc(N2CCC([NH+](C)C)CC2)cn1 ZINC000422955454 500323353 /nfs/dbraw/zinc/32/33/53/500323353.db2.gz LXCNQTBDKPSKHY-ROUUACIJSA-N 2 0 359.562 3.335 20 0 FGADRP O=C(CCC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)N1Cc2ccccc2C1 ZINC000422956777 500323870 /nfs/dbraw/zinc/32/38/70/500323870.db2.gz LXMHHQSWXBJAOD-PWRODBHTSA-N 2 0 355.526 3.209 20 0 FGADRP C[C@H](c1ccncc1)[NH+]1CCC(N[C@@H](Cc2ccccc2)[C@H](C)[NH3+])CC1 ZINC000422962038 500324674 /nfs/dbraw/zinc/32/46/74/500324674.db2.gz BSQHRDVANNHSBJ-SVMVAKDDSA-N 2 0 352.526 3.155 20 0 FGADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]Cc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000422970188 500325468 /nfs/dbraw/zinc/32/54/68/500325468.db2.gz VSVYVFOGZQQAMU-PDIWNELESA-N 3 0 367.537 3.257 20 0 FGADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)Nc1cccc(C[NH+]2CCC(CO)CC2)c1 ZINC000422981871 500326623 /nfs/dbraw/zinc/32/66/23/500326623.db2.gz PLMRZIFOVCTOQC-MBSDFSHPSA-N 2 0 367.537 3.261 20 0 FGADRP OC[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)Cc1ccccc1C(F)(F)F ZINC000422988334 500327769 /nfs/dbraw/zinc/32/77/69/500327769.db2.gz ISSCKTPWAROFEB-OYSPMZIOSA-N 2 0 370.459 3.367 20 0 FGADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]CC(C)(C)c1ccccc1Br ZINC000422996415 500328348 /nfs/dbraw/zinc/32/83/48/500328348.db2.gz LXQLNDYHDFNHLI-HEHGZKQESA-N 2 0 355.320 3.069 20 0 FGADRP CCC1(C[NH2+][C@@H](C)C[C@H]2COCCN2)CC[NH+](Cc2ccccc2)CC1 ZINC000423003520 500329621 /nfs/dbraw/zinc/32/96/21/500329621.db2.gz MOXQBZBWJNKISB-FPOVZHCZSA-N 2 0 359.558 3.035 20 0 FGADRP CCC1(C[NH2+][C@H](C2CC2)[C@H]2CNCCO2)CC[NH+](Cc2ccccc2)CC1 ZINC000423003901 500329692 /nfs/dbraw/zinc/32/96/92/500329692.db2.gz NOKXYMVRZJKALB-FGZHOGPDSA-N 2 0 371.569 3.035 20 0 FGADRP CCOC(=O)C1([C@H](C)[NH2+]Cc2ccc(Cl)cc2OCC)CC[NH2+]CC1 ZINC000423007635 500330429 /nfs/dbraw/zinc/33/04/29/500330429.db2.gz YCGMOPFRFMGEFR-AWEZNQCLSA-N 2 0 368.905 3.150 20 0 FGADRP COc1ccc(Oc2ccc(CC[NH2+][C@@H]3CCOC[C@@H]3[C@H](C)[NH3+])cc2)cc1 ZINC000423015088 500330840 /nfs/dbraw/zinc/33/08/40/500330840.db2.gz QKCFILFBAOJGQJ-KNXBSLHKSA-N 2 0 370.493 3.372 20 0 FGADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@H](CC(C)C)C(=O)Nc1nccs1 ZINC000423013210 500331123 /nfs/dbraw/zinc/33/11/23/500331123.db2.gz FKRMKKIGLDGGFD-XJKSGUPXSA-N 2 0 361.515 3.009 20 0 FGADRP Cc1cc(Br)cn2cc(CC[NH2+][C@@H]3CCCC[C@H]3C[NH3+])nc12 ZINC000423035432 500333152 /nfs/dbraw/zinc/33/31/52/500333152.db2.gz JKIFVSLJRVDURN-XJKSGUPXSA-N 2 0 365.319 3.055 20 0 FGADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000423036791 500333634 /nfs/dbraw/zinc/33/36/34/500333634.db2.gz UUQWOMIHEJSJMC-QIJUGHKUSA-N 3 0 359.558 3.044 20 0 FGADRP CCOC(=O)C1([C@H](C)[NH2+][C@@H](C)CSc2ccc(C)cc2)CC[NH2+]CC1 ZINC000423044386 500334366 /nfs/dbraw/zinc/33/43/66/500334366.db2.gz AMHDVRDFYBDWJQ-IRXDYDNUSA-N 2 0 364.555 3.387 20 0 FGADRP COC[C@H](CCC[NH3+])[NH2+][C@H]1CCN(C(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000423048483 500334876 /nfs/dbraw/zinc/33/48/76/500334876.db2.gz WMEPIHJZAFXZBB-ZYSHUDEJSA-N 2 0 371.928 3.346 20 0 FGADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]CC(Cc1ccccc1)Cc1ccccc1 ZINC000423046198 500335037 /nfs/dbraw/zinc/33/50/37/500335037.db2.gz FCKGVMQFDRYVNZ-OFAXGOBFSA-N 2 0 352.522 3.430 20 0 FGADRP CCOC(=O)C1([C@H](C)[NH2+]CCCCc2ccc(F)c(F)c2)CC[NH2+]CC1 ZINC000423053386 500336022 /nfs/dbraw/zinc/33/60/22/500336022.db2.gz RVXNNKKBZYRLHG-HNNXBMFYSA-N 2 0 368.468 3.199 20 0 FGADRP CC1(C)[C@H]([NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)C[C@@H]1OCc1ccccc1 ZINC000423053645 500336065 /nfs/dbraw/zinc/33/60/65/500336065.db2.gz SDTAEUNGBGMTJJ-ONUIULTDSA-N 2 0 358.526 3.117 20 0 FGADRP CCOC(=O)C1([C@H](C)[NH2+][C@H]2CC[C@H](Cc3ccccc3)C2)CC[NH2+]CC1 ZINC000423055504 500336080 /nfs/dbraw/zinc/33/60/80/500336080.db2.gz DCKUPSGTRDHHMB-SXLOBPIMSA-N 2 0 358.526 3.309 20 0 FGADRP c1ccc(CN2CCSC[C@@H]2C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000423075632 500339179 /nfs/dbraw/zinc/33/91/79/500339179.db2.gz PABBEHCCBQYHCZ-DOIPELPJSA-N 2 0 359.583 3.114 20 0 FGADRP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCCOc1ccc(C(F)(F)F)cn1 ZINC000423078485 500339325 /nfs/dbraw/zinc/33/93/25/500339325.db2.gz OPDZYFZSYJVQAJ-PBHICJAKSA-N 2 0 367.415 3.417 20 0 FGADRP OC[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)Cc1ccc(F)c(F)c1 ZINC000423079595 500339833 /nfs/dbraw/zinc/33/98/33/500339833.db2.gz QYWFRQIFRPHXOD-LNKGRISISA-N 2 0 352.469 3.016 20 0 FGADRP COC[C@@H](CCC[NH3+])[NH2+][C@@H]1c2cc(Br)ccc2CC1(C)C ZINC000423123154 500345109 /nfs/dbraw/zinc/34/51/09/500345109.db2.gz DHZCTRSEECJKGR-GDBMZVCRSA-N 2 0 355.320 3.416 20 0 FGADRP Cc1cccc2c1OC[C@H]([NH2+][C@H]1C[C@]3(CC[NH2+]C3)Oc3ccccc31)C2 ZINC000423131650 500346583 /nfs/dbraw/zinc/34/65/83/500346583.db2.gz BGTHVUWXBUGYTF-LZNRXBQRSA-N 2 0 350.462 3.144 20 0 FGADRP CC(C)C[C@@H](CN1CCCC1)[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423144505 500348043 /nfs/dbraw/zinc/34/80/43/500348043.db2.gz HGPIPTOWTZLDOS-RCZSKKKRSA-N 3 0 357.542 3.342 20 0 FGADRP CCOC(=O)C1([C@@H](C)[NH2+][C@H]2C[C@H](c3ccccc3Cl)C2)CC[NH2+]CC1 ZINC000423149528 500348391 /nfs/dbraw/zinc/34/83/91/500348391.db2.gz XRFWRYJLBGESQN-BZUAXINKSA-N 2 0 364.917 3.497 20 0 FGADRP Cc1ccc(C[C@H](CO)C[NH2+][C@H](C)CCCC[NH3+])cc1Br ZINC000423153554 500349307 /nfs/dbraw/zinc/34/93/07/500349307.db2.gz HSRVZEAIHWHLBU-ZBFHGGJFSA-N 2 0 357.336 3.016 20 0 FGADRP Cc1cc(C[NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)ccc1Br ZINC000423163043 500349663 /nfs/dbraw/zinc/34/96/63/500349663.db2.gz MGYVOIDTWHGFFW-DJIMGWMZSA-N 2 0 353.304 3.004 20 0 FGADRP COc1cccc2c1C[C@H]([NH2+][C@@H]1C[C@@]3(CC[NH2+]C3)Oc3ccccc31)C2 ZINC000423171907 500351437 /nfs/dbraw/zinc/35/14/37/500351437.db2.gz QMBOJIBSGZVFAT-ZWDAVXSWSA-N 2 0 350.462 3.008 20 0 FGADRP C[C@@H](Cc1ccccc1)[NH+]1CCC(NCCC[NH2+]Cc2cccnc2)CC1 ZINC000423183963 500352646 /nfs/dbraw/zinc/35/26/46/500352646.db2.gz HAYILGFTISHPKS-FQEVSTJZSA-N 2 0 366.553 3.247 20 0 FGADRP C[C@@H]([NH2+][C@@H](C)c1ccc(I)cc1)[C@@H]1CCC[NH2+]C1 ZINC000423217792 500356256 /nfs/dbraw/zinc/35/62/56/500356256.db2.gz QLAKAJUNZBLUEO-OUCADQQQSA-N 2 0 358.267 3.330 20 0 FGADRP C[NH2+]C[C@@H](C)C[NH2+][C@@H](C)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000423267805 500360201 /nfs/dbraw/zinc/36/02/01/500360201.db2.gz FGPLUDMYUPHFOY-SJORKVTESA-N 2 0 352.482 3.419 20 0 FGADRP [NH3+]C1C[C@H]2CCC[C@@H](C1)C2[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000423316166 500363340 /nfs/dbraw/zinc/36/33/40/500363340.db2.gz YBJWQNZDYCQMRK-PGCKRBSRSA-N 3 0 353.554 3.393 20 0 FGADRP C[C@@H]([NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc2ccccc2c1 ZINC000423372186 500368119 /nfs/dbraw/zinc/36/81/19/500368119.db2.gz AWZOMQFEGOCDSP-RDTXWAMCSA-N 2 0 351.416 3.327 20 0 FGADRP CC[C@@H]([NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc(Cl)s1 ZINC000423371065 500368492 /nfs/dbraw/zinc/36/84/92/500368492.db2.gz AGFVZXIGHUNLIO-ZYHUDNBSSA-N 2 0 355.857 3.278 20 0 FGADRP COCC1(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)CC[NH2+]CC1 ZINC000423397899 500370153 /nfs/dbraw/zinc/37/01/53/500370153.db2.gz CJMPTKGWPROVLY-BHDDXSALSA-N 3 0 371.569 3.035 20 0 FGADRP C[C@@H]1C[C@H](N(C)C(=O)[C@H]2[NH2+]CCCC2(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000423404992 500371193 /nfs/dbraw/zinc/37/11/93/500371193.db2.gz YOWWNYQBOZVJFZ-MISYRCLQSA-N 2 0 357.542 3.276 20 0 FGADRP C[C@H](CCCC[NH3+])[NH2+][C@H](C)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000423426232 500373449 /nfs/dbraw/zinc/37/34/49/500373449.db2.gz HMCRBBKJVGZXPZ-IAGOWNOFSA-N 2 0 367.559 3.029 20 0 FGADRP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@H]1[NH2+]CCCC1(C)C ZINC000423429208 500374303 /nfs/dbraw/zinc/37/43/03/500374303.db2.gz JZSKOYXEPWXYMK-WOJBJXKFSA-N 2 0 357.542 3.135 20 0 FGADRP C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)C[C@@H]3CCC[NH2+]CC3)cc2)C1 ZINC000427277639 500376804 /nfs/dbraw/zinc/37/68/04/500376804.db2.gz YNXHYJFCEGMIJQ-RTBURBONSA-N 2 0 357.542 3.315 20 0 FGADRP C[C@H]1CC[N@H+](CCOc2ccc(NC(=O)C[C@@H]3CCC[NH2+]CC3)cc2)C1 ZINC000427275918 500376945 /nfs/dbraw/zinc/37/69/45/500376945.db2.gz VEEMTODHOQMPIP-ZWKOTPCHSA-N 2 0 359.514 3.126 20 0 FGADRP CCc1ccccc1[C@H]([NH3+])CN[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423495352 500379526 /nfs/dbraw/zinc/37/95/26/500379526.db2.gz BWRQLUAMIUBLIX-RZUBCFFCSA-N 2 0 351.494 3.094 20 0 FGADRP C[C@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)c1cc(Br)cs1 ZINC000423511288 500380175 /nfs/dbraw/zinc/38/01/75/500380175.db2.gz ONQSRMKKJMBPJN-GRTSSRMGSA-N 2 0 372.376 3.378 20 0 FGADRP CCc1ccccc1[C@H]([NH3+])CN[C@H](c1ccc(OC)cc1)[C@@H]1CCC[NH2+]1 ZINC000423513936 500381244 /nfs/dbraw/zinc/38/12/44/500381244.db2.gz VVVWNKZQKXTJBD-BHIFYINESA-N 2 0 353.510 3.340 20 0 FGADRP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+]C2CCC([NH+]3CCNCC3)CC2)C1 ZINC000423518364 500381889 /nfs/dbraw/zinc/38/18/89/500381889.db2.gz ZQANLUVHMVCQEZ-OSIBBQKWSA-N 2 0 356.558 3.222 20 0 FGADRP Cc1cc2c(cc1C)[C@@H]([NH2+]C1CCC([NH+]3CCNCC3)CC1)CCCO2 ZINC000423519371 500381902 /nfs/dbraw/zinc/38/19/02/500381902.db2.gz PSDSQBNXWPKPNO-GRERDSQWSA-N 2 0 357.542 3.323 20 0 FGADRP O=C(C[C@H]1CCC[NH2+]CC1)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000427329005 500382331 /nfs/dbraw/zinc/38/23/31/500382331.db2.gz JISXIOMXWXTAHE-LPHOPBHVSA-N 2 0 363.933 3.373 20 0 FGADRP C[C@@H]([NH2+]CCC1=CC[NH2+]CC1)c1ccc(F)c(I)c1 ZINC000423537309 500383435 /nfs/dbraw/zinc/38/34/35/500383435.db2.gz JTJNMCPOQFVCGJ-LLVKDONJSA-N 2 0 374.241 3.391 20 0 FGADRP C[C@H](Cc1ccc(Br)c(F)c1)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000423549539 500384271 /nfs/dbraw/zinc/38/42/71/500384271.db2.gz SKIBBSSOMGJGDT-REBRKWNGSA-N 2 0 355.295 3.497 20 0 FGADRP COc1cccc([C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)[NH+](C)C)c1 ZINC000431558248 500391592 /nfs/dbraw/zinc/39/15/92/500391592.db2.gz RKAXBOZSVONRCM-LEWJYISDSA-N 2 0 373.541 3.211 20 0 FGADRP C[C@H](CC(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)cc1)[C@H]1CCC[NH2+]C1 ZINC000423775038 500401001 /nfs/dbraw/zinc/40/10/01/500401001.db2.gz OKXIRNYWGYKYQR-UWWQBHOKSA-N 2 0 351.922 3.085 20 0 FGADRP CC(C)[C@H](C(=O)NC[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)[C@H](C)[NH3+] ZINC000423810715 500404362 /nfs/dbraw/zinc/40/43/62/500404362.db2.gz BDCPRVHUQVCTLA-CSBKYJRVSA-N 2 0 369.912 3.208 20 0 FGADRP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)[C@H]([NH3+])CC2CCCCC2)CC1 ZINC000423841897 500410510 /nfs/dbraw/zinc/41/05/10/500410510.db2.gz GKTYLVZRKLNNDP-OXQOHEQNSA-N 2 0 358.530 3.021 20 0 FGADRP [NH3+][C@@H]1CCC[C@H]1CC(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000423857454 500413113 /nfs/dbraw/zinc/41/31/13/500413113.db2.gz XUOXRUAWSXKWPX-VQTJNVASSA-N 2 0 355.526 3.019 20 0 FGADRP Cc1cc2c(cc1C)[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1)CCS2 ZINC000427697108 500421653 /nfs/dbraw/zinc/42/16/53/500421653.db2.gz MFFGWABRSQLTBN-SJLPKXTDSA-N 2 0 361.555 3.017 20 0 FGADRP CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000431870415 500436897 /nfs/dbraw/zinc/43/68/97/500436897.db2.gz MXNASTOWFXSLSD-PKOBYXMFSA-N 2 0 352.567 3.059 20 0 FGADRP Brc1ccc(C2([NH2+]CC[C@H]3CCC[NH2+]C3)CCOCC2)cc1 ZINC000420303018 500437744 /nfs/dbraw/zinc/43/77/44/500437744.db2.gz MXRAUUFOUGTNTJ-OAHLLOKOSA-N 2 0 367.331 3.434 20 0 FGADRP CC[NH+](CC)C[C@H]1CCCC[C@@H]1NC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000431880376 500437997 /nfs/dbraw/zinc/43/79/97/500437997.db2.gz WXPJVNJCTUWFJV-AEFFLSMTSA-N 2 0 366.594 3.495 20 0 FGADRP COc1ccc([C@H](C[NH3+])C[N@@H+]2CCC[C@H]2Cc2ccccc2OC)cc1 ZINC000420313310 500439642 /nfs/dbraw/zinc/43/96/42/500439642.db2.gz XXSOXRVPMIDUAK-UXHICEINSA-N 2 0 354.494 3.453 20 0 FGADRP CC[C@@H](Cc1ccc(OC)c(OC)c1)[NH2+]CC1(SC)CC[NH+](C)CC1 ZINC000579532670 506196325 /nfs/dbraw/zinc/19/63/25/506196325.db2.gz LUQVKSXNCHVEAI-KRWDZBQOSA-N 2 0 366.571 3.442 20 0 FGADRP COc1ccc(-c2noc([C@@H](C)[NH+]3CCC([C@@H]4CC[NH2+]C4)CC3)n2)cc1 ZINC000420318519 500440539 /nfs/dbraw/zinc/44/05/39/500440539.db2.gz QBKWZHJULPOASE-RHSMWYFYSA-N 2 0 356.470 3.128 20 0 FGADRP C[C@H](C(=O)N1CCC[C@@H]1c1cccs1)[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420324624 500441933 /nfs/dbraw/zinc/44/19/33/500441933.db2.gz HLAUOAOGWDZMQS-BRSBDYLESA-N 2 0 361.555 3.122 20 0 FGADRP C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000420329871 500442828 /nfs/dbraw/zinc/44/28/28/500442828.db2.gz AAJBWDDPGDNAOA-KXBFYZLASA-N 2 0 363.933 3.323 20 0 FGADRP O=C([C@@H](c1ccccc1)[NH+]1CCC([C@H]2CCC[NH2+]2)CC1)N1CCCCC1 ZINC000420334334 500443449 /nfs/dbraw/zinc/44/34/49/500443449.db2.gz GFVDKQUNGKQYOD-NHCUHLMSSA-N 2 0 355.526 3.204 20 0 FGADRP CC(C)[C@@H](NC(=O)C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1)c1ccc(F)cc1 ZINC000420333893 500443454 /nfs/dbraw/zinc/44/34/54/500443454.db2.gz GABLATJQJWWKHW-PZJWPPBQSA-N 2 0 361.505 3.103 20 0 FGADRP O=C([C@@H](c1ccccc1)[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1)N1CCCCC1 ZINC000420334332 500443581 /nfs/dbraw/zinc/44/35/81/500443581.db2.gz GFVDKQUNGKQYOD-LEWJYISDSA-N 2 0 355.526 3.204 20 0 FGADRP O=C(CC[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1)N[C@@H]1CCCc2ccccc21 ZINC000420379917 500451691 /nfs/dbraw/zinc/45/16/91/500451691.db2.gz BOKVQWIGHCLFSO-CEWLAPEOSA-N 2 0 355.526 3.034 20 0 FGADRP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](CCOc2ccc3ccccc3c2)CC1 ZINC000420386075 500452860 /nfs/dbraw/zinc/45/28/60/500452860.db2.gz UPIYPUHWQYYRLD-FGZHOGPDSA-N 2 0 354.494 3.437 20 0 FGADRP [NH3+][C@@H]1CCO[C@H](C2CC[NH+](CCOc3ccc4ccccc4c3)CC2)C1 ZINC000420388033 500453267 /nfs/dbraw/zinc/45/32/67/500453267.db2.gz KRBQPLCCAGGOFW-IRLDBZIGSA-N 2 0 354.494 3.437 20 0 FGADRP Cc1oc(-c2ccsc2)nc1C[NH+]1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000420388216 500453613 /nfs/dbraw/zinc/45/36/13/500453613.db2.gz WZMBQKDYIULOSP-FUHWJXTLSA-N 2 0 361.511 3.430 20 0 FGADRP C[C@H](NC(=O)[C@@H]1CCCCN1Cc1ccc(F)cc1)C(C)(C)C[NH+](C)C ZINC000428004230 500457456 /nfs/dbraw/zinc/45/74/56/500457456.db2.gz FTPZPVHZDVGCQH-LPHOPBHVSA-N 2 0 363.521 3.273 20 0 FGADRP COc1ccc([C@@H](C[NH3+])C[NH2+][C@H](C)c2cccc(-n3cccn3)c2)cc1 ZINC000420421310 500458194 /nfs/dbraw/zinc/45/81/94/500458194.db2.gz YQPHKLVTTJYFEW-APWZRJJASA-N 2 0 350.466 3.274 20 0 FGADRP CC(C)n1cncc1C[NH2+]Cc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000424158224 500461780 /nfs/dbraw/zinc/46/17/80/500461780.db2.gz QXSPIHSQWLTDLD-HDICACEKSA-N 2 0 356.514 3.363 20 0 FGADRP [NH3+]C[C@@H]1CN(C(=O)CC[C@@H]([NH3+])CC2CCCCC2)C[C@H]1c1ccccc1 ZINC000424175177 500463283 /nfs/dbraw/zinc/46/32/83/500463283.db2.gz NODTXJMSBFTOTC-NJYVYQBISA-N 2 0 357.542 3.265 20 0 FGADRP C[C@@H](NC(=O)C[N@@H+]1CC2(C[C@H]1C)CC[NH2+]CC2)c1cccc2ccccc21 ZINC000424288087 500481520 /nfs/dbraw/zinc/48/15/20/500481520.db2.gz KCTRYLXNUUNCGL-QZTJIDSGSA-N 2 0 365.521 3.481 20 0 FGADRP C[C@H]1CC2(C[N@@H+]1CC(=O)N[C@@H](c1cccs1)C(C)(C)C)CC[NH2+]CC2 ZINC000424288631 500481586 /nfs/dbraw/zinc/48/15/86/500481586.db2.gz KUTHLVIMBUGDRL-YJBOKZPZSA-N 2 0 363.571 3.416 20 0 FGADRP C[C@H](NC(=O)C[N@@H+]1CC2(C[C@H]1C)CC[NH2+]CC2)c1ccc2c(c1)CCCC2 ZINC000424295861 500482273 /nfs/dbraw/zinc/48/22/73/500482273.db2.gz RLJSHSCQSBWAFG-MSOLQXFVSA-N 2 0 369.553 3.207 20 0 FGADRP C[C@H]1CC2(C[N@@H+]1Cc1cn(-c3ccc(F)cc3Cl)nn1)CC[NH2+]CC2 ZINC000424380130 500494493 /nfs/dbraw/zinc/49/44/93/500494493.db2.gz PLEBHWXCQNGTIF-ZDUSSCGKSA-N 2 0 363.868 3.024 20 0 FGADRP O=C(CCCc1ccccc1)NCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000424379888 500494509 /nfs/dbraw/zinc/49/45/09/500494509.db2.gz PKRZVMHMNSYMSU-QHAWAJNXSA-N 2 0 357.542 3.026 20 0 FGADRP C[C@H](CCNC(=O)NC1CCC([NH+](C)C)CC1)[N@H+](C)Cc1ccccc1 ZINC000420791186 500501993 /nfs/dbraw/zinc/50/19/93/500501993.db2.gz HKHBVRLYYGAUAH-QHGAOEGBSA-N 2 0 360.546 3.069 20 0 FGADRP CC[C@H](CNC(=O)Nc1cc(C)cc(C[NH3+])c1)[N@@H+]1CCc2ccccc2C1 ZINC000424434268 500504579 /nfs/dbraw/zinc/50/45/79/500504579.db2.gz GEHORBLLUGJSGR-OAQYLSRUSA-N 2 0 366.509 3.412 20 0 FGADRP Cc1cc(C[NH3+])cc(NC(=O)N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)c1 ZINC000424441280 500505890 /nfs/dbraw/zinc/50/58/90/500505890.db2.gz WPKIWRDKSRVRMH-SFHVURJKSA-N 2 0 358.530 3.430 20 0 FGADRP Cc1cc(C[NH3+])cc(NC(=O)NCC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000424446910 500507027 /nfs/dbraw/zinc/50/70/27/500507027.db2.gz STGFJHYOXSVRBR-UHFFFAOYSA-N 2 0 366.509 3.487 20 0 FGADRP Cc1c([C@@H](C)NCCC[N@@H+]2CCCO[C@H](C)C2)nnn1-c1ccc(C)cc1 ZINC000432412779 500512594 /nfs/dbraw/zinc/51/25/94/500512594.db2.gz CVDFCUQXRMGURR-QZTJIDSGSA-N 2 0 371.529 3.036 20 0 FGADRP C[C@H]1C[NH2+]CC[C@@H]1NC(=O)c1cccc(C[N@H+](C)Cc2ccccc2)c1 ZINC000432521632 500526772 /nfs/dbraw/zinc/52/67/72/500526772.db2.gz ZDAOWBWKWZNQHK-UWJYYQICSA-N 2 0 351.494 3.046 20 0 FGADRP c1ccc(C[NH+]2CCN(CC[NH2+][C@H]3Cc4[nH]c5ccccc5c4C3)CC2)cc1 ZINC000442638306 500607459 /nfs/dbraw/zinc/60/74/59/500607459.db2.gz RPSQXNWCHUNHDT-HXUWFJFHSA-N 2 0 374.532 3.043 20 0 FGADRP COCCOc1ccc([C@H](C)[NH2+]CC2CC[NH+](C3CC3)CC2)cc1OC ZINC000447558051 500624335 /nfs/dbraw/zinc/62/43/35/500624335.db2.gz OITRYBIXWZFRFN-INIZCTEOSA-N 2 0 362.514 3.245 20 0 FGADRP Cc1ccc([C@H]2[C@H](C)CCCN2C(=O)CCC[NH+]2CCC([NH3+])CC2)cc1 ZINC000433124300 500631438 /nfs/dbraw/zinc/63/14/38/500631438.db2.gz BASWBOKTYLJTPG-XMSQKQJNSA-N 2 0 357.542 3.498 20 0 FGADRP [NH3+]C1CC[NH+](CCCC(=O)N[C@@H]2CCc3c2ccc(Cl)c3Cl)CC1 ZINC000433129542 500632186 /nfs/dbraw/zinc/63/21/86/500632186.db2.gz ZUEDDMCOJSOJQG-MRXNPFEDSA-N 2 0 370.324 3.300 20 0 FGADRP [NH3+]C1CC[NH+](CCCC(=O)N2CCc3cc(-c4ccccc4)ccc32)CC1 ZINC000433155027 500635830 /nfs/dbraw/zinc/63/58/30/500635830.db2.gz WEHQKYHHCBIINP-UHFFFAOYSA-N 2 0 363.505 3.446 20 0 FGADRP CC[C@H](Cc1ccc(C)cc1)N(CC)C(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433160382 500636985 /nfs/dbraw/zinc/63/69/85/500636985.db2.gz HAZGYVOSEBTGMF-OAQYLSRUSA-N 2 0 359.558 3.368 20 0 FGADRP [NH3+]C1CC[NH+](CCCC(=O)N2CCC[C@]3(CCCc4ccccc43)C2)CC1 ZINC000433177877 500639732 /nfs/dbraw/zinc/63/97/32/500639732.db2.gz RANMKUOTNLXYHZ-HSZRJFAPSA-N 2 0 369.553 3.086 20 0 FGADRP COc1cc(Br)c(C[N@@H+]2CCC[C@H](CC[NH3+])C2)c(OC)c1 ZINC000442921546 500647486 /nfs/dbraw/zinc/64/74/86/500647486.db2.gz NRCXZYPPPFAFGF-GFCCVEGCSA-N 2 0 357.292 3.027 20 0 FGADRP COc1ccc(Cn2nc(C)c(C[N@@H+]3CCC[C@H](CC[NH3+])C3)c2C)cc1 ZINC000442925693 500648032 /nfs/dbraw/zinc/64/80/32/500648032.db2.gz WENJHRRQSQOCAE-GOSISDBHSA-N 2 0 356.514 3.118 20 0 FGADRP CC[N@@H+]1CCC[C@@H](CNC(=O)[C@@]23CCC[C@@H]2C[NH+](Cc2ccccc2)C3)C1 ZINC000442939083 500650325 /nfs/dbraw/zinc/65/03/25/500650325.db2.gz BZIBUDYBSUOLCP-QZNHQXDQSA-N 2 0 369.553 3.137 20 0 FGADRP C[NH+](C)Cc1ccccc1C(=O)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000433302217 500666635 /nfs/dbraw/zinc/66/66/35/500666635.db2.gz HWVRXQURQMIIRW-UHFFFAOYSA-N 2 0 357.542 3.476 20 0 FGADRP [NH3+]CC[C@@H]1CCC[N@H+](CCC(=O)NC(c2ccccc2)c2ccccc2)C1 ZINC000443061247 500671659 /nfs/dbraw/zinc/67/16/59/500671659.db2.gz UXVIPYWZLRHDAY-IBGZPJMESA-N 2 0 365.521 3.343 20 0 FGADRP C[C@H](c1nc(-c2ccnc(OCC[NH+](C)C)c2)no1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000443203548 500695684 /nfs/dbraw/zinc/69/56/84/500695684.db2.gz MDKMYBDCPHBOOI-QLFBSQMISA-N 2 0 359.474 3.006 20 0 FGADRP C[C@@H](NC(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1)C(C)(C)C[NH+](C)C ZINC000437808946 500699903 /nfs/dbraw/zinc/69/99/03/500699903.db2.gz HEHYTTIUWVWDLN-AEFFLSMTSA-N 2 0 352.567 3.059 20 0 FGADRP [NH3+]C1(CNC(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)CCCCC1 ZINC000576684978 506210232 /nfs/dbraw/zinc/21/02/32/506210232.db2.gz PIDIPMPLVRGLLX-UHFFFAOYSA-N 2 0 358.530 3.498 20 0 FGADRP C[N@H+](CC[C@H]1CCCC[NH+]1C)C[C@@H](O)Cc1ccc(C(F)(F)F)cc1 ZINC000438170452 500749779 /nfs/dbraw/zinc/74/97/79/500749779.db2.gz XVEBOVNVMKCYQF-MSOLQXFVSA-N 2 0 358.448 3.415 20 0 FGADRP C[C@@H](NC(=O)N1CCC[N@H+](CC2CCCCC2)CC1)C(C)(C)C[NH+](C)C ZINC000443681574 500755707 /nfs/dbraw/zinc/75/57/07/500755707.db2.gz KJNYXWMWJNWBQG-GOSISDBHSA-N 2 0 366.594 3.260 20 0 FGADRP O=C([C@@H]1CC[N@@H+](C2CCCCC2)C1)N1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000448449116 500761139 /nfs/dbraw/zinc/76/11/39/500761139.db2.gz PCUIHGFLEWTQNI-OPYAIIAOSA-N 2 0 359.558 3.116 20 0 FGADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N2CCC([NH+]3CCCCC3)CC2)C1 ZINC000448469731 500763057 /nfs/dbraw/zinc/76/30/57/500763057.db2.gz BHPROTNIYRLXDD-LJQANCHMSA-N 2 0 364.578 3.014 20 0 FGADRP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)NC[C@@H]1CCC[NH+]1C1CCCCC1 ZINC000438327296 500770169 /nfs/dbraw/zinc/77/01/69/500770169.db2.gz LNUFYWKQQPZGQZ-ICSRJNTNSA-N 2 0 364.578 3.299 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@H]2CCC[NH+]2C2CCCCC2)[C@H](C)C1 ZINC000438329651 500770788 /nfs/dbraw/zinc/77/07/88/500770788.db2.gz RFOTXGSTVPYVLW-RLLQIKCJSA-N 2 0 364.578 3.155 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@H]2CCC[NH+]2C2CCCCC2)[C@@H](C)C1 ZINC000438329653 500770822 /nfs/dbraw/zinc/77/08/22/500770822.db2.gz RFOTXGSTVPYVLW-SXLOBPIMSA-N 2 0 364.578 3.155 20 0 FGADRP O=C([C@H]1C[C@@]12CC[NH2+]C2)N1CC[N@H+](Cc2ccccc2)C2(CCCCC2)C1 ZINC000444265573 500826319 /nfs/dbraw/zinc/82/63/19/500826319.db2.gz AYEBPTJGPCZNRD-IFMALSPDSA-N 2 0 367.537 3.033 20 0 FGADRP O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000434355648 500831044 /nfs/dbraw/zinc/83/10/44/500831044.db2.gz PBVBIUUGEYXIMQ-RBUKOAKNSA-N 2 0 374.529 3.123 20 0 FGADRP CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000438970635 500842323 /nfs/dbraw/zinc/84/23/23/500842323.db2.gz FLLXLHGYRONVLF-MSOLQXFVSA-N 2 0 366.575 3.161 20 0 FGADRP C[C@@H]1[NH2+]CCC[C@H]1NC(=O)c1cccc(C[N@H+](C)Cc2ccccc2)c1 ZINC000434709838 500882235 /nfs/dbraw/zinc/88/22/35/500882235.db2.gz VXTTVBNNSMSLMT-LAUBAEHRSA-N 2 0 351.494 3.189 20 0 FGADRP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3cc4ccccc4c(OC)c3)C2)CC1 ZINC000449023139 500901362 /nfs/dbraw/zinc/90/13/62/500901362.db2.gz NUCKCMWEXKEGPF-HXUWFJFHSA-N 2 0 353.510 3.060 20 0 FGADRP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@@](C)(CCc3ccccc3)C2)CC1 ZINC000434905071 500910588 /nfs/dbraw/zinc/91/05/88/500910588.db2.gz IBADZJZOISDGAH-HSZRJFAPSA-N 2 0 371.569 3.320 20 0 FGADRP CC(C)C[N@@H+]1CCO[C@H](CNC2CC[NH+]([C@H](C)Cc3ccccc3)CC2)C1 ZINC000449058823 500913836 /nfs/dbraw/zinc/91/38/36/500913836.db2.gz MHFGMWSDTDRNMP-NFBKMPQASA-N 2 0 373.585 3.028 20 0 FGADRP CC(C)[C@@H](C[NH2+]C1CCC(OC2CCCC2)CC1)N1CC[NH+](C)CC1 ZINC000449071288 500917110 /nfs/dbraw/zinc/91/71/10/500917110.db2.gz ARHKCUHFONPVNU-DQVLVPHSSA-N 2 0 351.579 3.118 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1cc2[nH]ccc2cc1C ZINC000444977749 500928789 /nfs/dbraw/zinc/92/87/89/500928789.db2.gz UFFNAEPMIKOUCZ-GOSISDBHSA-N 2 0 371.529 3.356 20 0 FGADRP CC1CC[NH+](C[C@H](O)CNC2CC[NH+](C(C)(C)CC(C)(C)C)CC2)CC1 ZINC000449123705 500929878 /nfs/dbraw/zinc/92/98/78/500929878.db2.gz OHTXGMMZHRKSOR-HXUWFJFHSA-N 2 0 367.622 3.348 20 0 FGADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H](C)COc1ccc(Cl)c(Cl)c1 ZINC000449252485 500958388 /nfs/dbraw/zinc/95/83/88/500958388.db2.gz VLIMWHSPLAMJEW-GJZGRUSLSA-N 2 0 374.356 3.376 20 0 FGADRP COc1cccc(-c2nn(C(C)(C)C)cc2C[N@@H+]2C[C@H](C[NH3+])C[C@H]2C)c1 ZINC000435375224 500962304 /nfs/dbraw/zinc/96/23/04/500962304.db2.gz UHBXPMCCKBKREK-CVEARBPZSA-N 2 0 356.514 3.483 20 0 FGADRP COc1ccc(OCc2ccccn2)c(C[NH+]2CCC([C@@H](C)[NH3+])CC2)c1 ZINC000435375666 500963090 /nfs/dbraw/zinc/96/30/90/500963090.db2.gz NGJNXTDOFDILOL-MRXNPFEDSA-N 2 0 355.482 3.228 20 0 FGADRP C[NH2+]C[C@H]1CCN(Cc2cc(OC)c(OCc3ccccc3)c(OC)c2)C1 ZINC000435385689 500965324 /nfs/dbraw/zinc/96/53/24/500965324.db2.gz SOZDOOSQYMJPBN-GOSISDBHSA-N 2 0 370.493 3.324 20 0 FGADRP Cc1cccn2cc(COc3ccc(C[NH+]4CCC(C[NH3+])CC4)cc3)nc12 ZINC000435399618 500968167 /nfs/dbraw/zinc/96/81/67/500968167.db2.gz YPBFUERNCFZMBC-UHFFFAOYSA-N 2 0 364.493 3.392 20 0 FGADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N(Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435562899 500992742 /nfs/dbraw/zinc/99/27/42/500992742.db2.gz JTYXHTORWCAZIB-SOLBZPMBSA-N 2 0 361.555 3.092 20 0 FGADRP c1ccc(C[N@@H+](CCc2ccc3c(c2)CCO3)[C@@H]2CCC[NH2+]CC2)nc1 ZINC000435616258 501002449 /nfs/dbraw/zinc/00/24/49/501002449.db2.gz KEHLLIFZHHJNQV-OAQYLSRUSA-N 2 0 351.494 3.203 20 0 FGADRP CCN(Cc1nc2sc3c(c2c(N)n1)CCCC3)[C@H]1CCC[NH2+]CC1 ZINC000435617123 501002554 /nfs/dbraw/zinc/00/25/54/501002554.db2.gz MPDNQAZNPUHVKO-ZDUSSCGKSA-N 2 0 359.543 3.116 20 0 FGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N(CC)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000440538761 501020750 /nfs/dbraw/zinc/02/07/50/501020750.db2.gz RPOMDJASFIBYIM-LEWJYISDSA-N 2 0 357.542 3.231 20 0 FGADRP CSc1ccccc1[C@H](C)[NH2+]CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000440625614 501030508 /nfs/dbraw/zinc/03/05/08/501030508.db2.gz PFPRFGIBAKOIPV-QFBILLFUSA-N 2 0 371.550 3.478 20 0 FGADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2CCOc1ccc2ccccc2c1 ZINC000441172062 501098197 /nfs/dbraw/zinc/09/81/97/501098197.db2.gz HAHGVLZRFCGITN-FCEUIQTBSA-N 2 0 354.494 3.402 20 0 FGADRP O=C(NCc1cccc(C[NH+]2CCCCCC2)c1)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000436285248 501101469 /nfs/dbraw/zinc/10/14/69/501101469.db2.gz CZLUJDHSWOMKBK-IFMALSPDSA-N 2 0 355.526 3.069 20 0 FGADRP C[N@@H+]1CCN(CC[NH2+]Cc2ccc(OC(F)F)c(Cl)c2)CC1(C)C ZINC000441379183 501130600 /nfs/dbraw/zinc/13/06/00/501130600.db2.gz OSDMYZPUEIZXQZ-UHFFFAOYSA-N 2 0 361.864 3.057 20 0 FGADRP CC[N@H+](CCC1CCN(C(=O)NCC2([NH+](C)C)CCC2)CC1)CC1CC1 ZINC000446615489 501142247 /nfs/dbraw/zinc/14/22/47/501142247.db2.gz OGRIDLZKWBASCF-UHFFFAOYSA-N 2 0 364.578 3.014 20 0 FGADRP COc1ccc([C@H](CCn2cncn2)[NH2+]CCC[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000446750350 501161001 /nfs/dbraw/zinc/16/10/01/501161001.db2.gz GINSWFNGDNSHLI-RXVVDRJESA-N 2 0 371.529 3.272 20 0 FGADRP CCOC(=O)c1ccc(C[N@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)nc1 ZINC000450643786 501173577 /nfs/dbraw/zinc/17/35/77/501173577.db2.gz RGDPJDCTQFDXCJ-UHFFFAOYSA-N 2 0 368.481 3.002 20 0 FGADRP COc1ccc([C@@H](CCn2cncn2)[NH2+]CC[C@H](C)[NH+]2CCCCC2)cc1 ZINC000446880829 501176868 /nfs/dbraw/zinc/17/68/68/501176868.db2.gz JCIUKOKANPLSJT-GHTZIAJQSA-N 2 0 371.529 3.272 20 0 FGADRP O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000611639545 506239303 /nfs/dbraw/zinc/23/93/03/506239303.db2.gz JPRIIBPYAJUZNE-RBUKOAKNSA-N 2 0 374.529 3.076 20 0 FGADRP CC[C@H](C)[NH+]1CCN(C(=O)NCc2ccccc2C[N@H+](C)C(C)C)CC1 ZINC000457641776 501274461 /nfs/dbraw/zinc/27/44/61/501274461.db2.gz DOYGYIDJUYUWCQ-SFHVURJKSA-N 2 0 360.546 3.153 20 0 FGADRP c1nnc(C2CC2)n1CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000453148068 501279349 /nfs/dbraw/zinc/27/93/49/501279349.db2.gz QRPIFLDPVXDVHJ-PCCBWWKXSA-N 2 0 365.525 3.188 20 0 FGADRP CC[NH+](CC)CCCC1CCN(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000455465173 501310048 /nfs/dbraw/zinc/31/00/48/501310048.db2.gz AMRHDKYOERSJOQ-IHWFROFDSA-N 2 0 364.578 3.155 20 0 FGADRP CC(C)(C)CC(C)(C)[NH+]1CCN(C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000457800928 501311471 /nfs/dbraw/zinc/31/14/71/501311471.db2.gz XXEGZOGKPHUUPI-ZWKOTPCHSA-N 2 0 364.578 3.155 20 0 FGADRP CO[C@@H]1COCC[C@@H]1C[NH2+][C@@H]1CCCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000453316729 501313977 /nfs/dbraw/zinc/31/39/77/501313977.db2.gz JXRDZWHOIQOYDD-PFDCGNQRSA-N 2 0 372.553 3.318 20 0 FGADRP CO[C@@H]1CC[N@H+](Cc2cccc(C[NH+]3CC[C@H](OC)[C@H](C)C3)c2)C[C@@H]1C ZINC000451572623 501328112 /nfs/dbraw/zinc/32/81/12/501328112.db2.gz QTKAJVSDUXXEQI-MTIDIVMFSA-N 2 0 360.542 3.400 20 0 FGADRP C[C@@H]1CCN(C(=O)NCCCC[NH+](C)C2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000455627121 501350400 /nfs/dbraw/zinc/35/04/00/501350400.db2.gz ZKOAKDIZNNUCPF-LJQANCHMSA-N 2 0 372.557 3.167 20 0 FGADRP C[S@](=O)C1(C[NH2+]C[C@@]2(C(C)(C)C)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000602656242 506248494 /nfs/dbraw/zinc/24/84/94/506248494.db2.gz NKVODTHHBGUKGJ-CPJSRVTESA-N 2 0 362.583 3.426 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)N1CCC[C@@H]([NH+]2CCCC2)C1)c1ccccc1 ZINC000611675183 506250399 /nfs/dbraw/zinc/25/03/99/506250399.db2.gz QUXOAKUJYJFQTL-RTWAWAEBSA-N 2 0 372.557 3.339 20 0 FGADRP C(CC[NH+]1CCC[C@@]2(CCOC2)C1)CC[N@@H+]1CCC[C@]2(CCOC2)C1 ZINC000451898198 501395980 /nfs/dbraw/zinc/39/59/80/501395980.db2.gz IWGJZXXOSXKIKZ-OYRHEFFESA-N 2 0 350.547 3.162 20 0 FGADRP C(CC[NH+]1CCC[C@]2(CCOC2)C1)CC[N@@H+]1CCC[C@]2(CCOC2)C1 ZINC000451898200 501396192 /nfs/dbraw/zinc/39/61/92/501396192.db2.gz IWGJZXXOSXKIKZ-SFTDATJTSA-N 2 0 350.547 3.162 20 0 FGADRP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000455909085 501413025 /nfs/dbraw/zinc/41/30/25/501413025.db2.gz ILDAXIYQKVXYHC-JXXFODFXSA-N 2 0 358.530 3.477 20 0 FGADRP C[NH+](C)CCOc1ccc(NC(=O)C2(C[NH+](C)C)CCCCC2)cc1F ZINC000458292757 501413875 /nfs/dbraw/zinc/41/38/75/501413875.db2.gz OMHGLXMKCPVXNK-UHFFFAOYSA-N 2 0 365.493 3.217 20 0 FGADRP C[C@@H](CNC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C)[NH+]1CCC(C)CC1 ZINC000455947592 501423659 /nfs/dbraw/zinc/42/36/59/501423659.db2.gz XMSPPZVUYDTLPM-JXFKEZNVSA-N 2 0 358.530 3.477 20 0 FGADRP CSc1ccc([C@H](CNC(=O)CC[C@@H]2CCCC[N@@H+]2C)[NH+](C)C)cc1 ZINC000452160163 501448374 /nfs/dbraw/zinc/44/83/74/501448374.db2.gz BWYPDTBKHUIVTR-HKUYNNGSSA-N 2 0 363.571 3.392 20 0 FGADRP C[C@H](NC(=O)NCCCCC[NH+]1CCCC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000458638178 501495345 /nfs/dbraw/zinc/49/53/45/501495345.db2.gz SUVOQNITOBGVMO-RBUKOAKNSA-N 2 0 364.578 3.205 20 0 FGADRP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)NC2CC[NH+](C3CCC3)CC2)C1 ZINC000454316957 501511822 /nfs/dbraw/zinc/51/18/22/501511822.db2.gz HWRPUZXWUBULDE-QZTJIDSGSA-N 2 0 364.578 3.061 20 0 FGADRP Cc1ccc([C@H](CNC(=O)NCCCCC[NH+]2CCCC2)[NH+](C)C)cc1 ZINC000454464618 501551634 /nfs/dbraw/zinc/55/16/34/501551634.db2.gz VZHWVDOAIFQZED-FQEVSTJZSA-N 2 0 360.546 3.163 20 0 FGADRP CC[N@H+](CCNC(=O)NC[C@H](c1ccc(C)cc1)[NH+]1CCCC1)C(C)C ZINC000588291737 506263008 /nfs/dbraw/zinc/26/30/08/506263008.db2.gz UEHDPNDLVJHUCG-HXUWFJFHSA-N 2 0 360.546 3.161 20 0 FGADRP CN(C(=O)c1ccccc1C[NH+](C)C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457061148 501643150 /nfs/dbraw/zinc/64/31/50/501643150.db2.gz AZOHOLCPTLLDOC-UHFFFAOYSA-N 2 0 371.447 3.237 20 0 FGADRP CCO[C@@H]1C[C@@H]([NH2+]C2CCN(CCOC)CC2)[C@H]1Sc1ccccc1 ZINC000459389082 501644837 /nfs/dbraw/zinc/64/48/37/501644837.db2.gz QGACLSONVHQMIR-VAMGGRTRSA-N 2 0 364.555 3.025 20 0 FGADRP CCOc1cc(C[NH2+]CC2(C)CC[NH+](C)CC2)cc(Br)c1O ZINC000459453389 501656473 /nfs/dbraw/zinc/65/64/73/501656473.db2.gz AJSXJDMXRDKGPU-UHFFFAOYSA-N 2 0 371.319 3.375 20 0 FGADRP c1cc(OCC[NH+]2CCCC2)ccc1CC[NH2+]Cc1cnc(C2CC2)nc1 ZINC000459454771 501656492 /nfs/dbraw/zinc/65/64/92/501656492.db2.gz BTMLXMKHEPEBIB-UHFFFAOYSA-N 2 0 366.509 3.161 20 0 FGADRP O[C@]1(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)CCC[C@H](C(F)(F)F)C1 ZINC000459518443 501668198 /nfs/dbraw/zinc/66/81/98/501668198.db2.gz RIUILFXHEIFIQS-WMLDXEAASA-N 2 0 357.420 3.124 20 0 FGADRP CCCC[N@H+](CC)Cc1cccc(CNC(=O)c2ccnc(C[NH3+])c2)c1 ZINC000463492574 501740952 /nfs/dbraw/zinc/74/09/52/501740952.db2.gz IJZFWBHQZILGDZ-UHFFFAOYSA-N 2 0 354.498 3.092 20 0 FGADRP C[NH+](C)[C@@H](CNC(=O)N1CC[NH+](C2CCCCC2)CC1)c1ccsc1 ZINC000485287373 501778244 /nfs/dbraw/zinc/77/82/44/501778244.db2.gz KOJXGQBVPHOHLL-SFHVURJKSA-N 2 0 364.559 3.011 20 0 FGADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)c1ccc2c(c1)CC[NH2+]CC2)c1ccccc1 ZINC000474294752 501779467 /nfs/dbraw/zinc/77/94/67/501779467.db2.gz AFGPODWEHIPVBK-QGZVFWFLSA-N 2 0 365.521 3.234 20 0 FGADRP CC(C)[C@H](CNC(=O)CC[C@H]1CCCC[N@@H+]1C)[NH+]1CCc2ccccc2C1 ZINC000481498271 501793053 /nfs/dbraw/zinc/79/30/53/501793053.db2.gz RZTDBLXWRHUFNS-YADHBBJMSA-N 2 0 371.569 3.450 20 0 FGADRP O=C([C@H]1CCCC[N@@H+]1Cc1ccccc1)N1CCC2(CC[NH2+]CC2)CC1 ZINC000477949520 501837787 /nfs/dbraw/zinc/83/77/87/501837787.db2.gz GBMLLGCPJDORQZ-HXUWFJFHSA-N 2 0 355.526 3.033 20 0 FGADRP CCCN(CC[NH+]1CCCCCC1)C(=O)NC[C@H]1CC[N@H+](CC(C)C)C1 ZINC000460508490 501843739 /nfs/dbraw/zinc/84/37/39/501843739.db2.gz FKSJTHVHWYUDOU-HXUWFJFHSA-N 2 0 366.594 3.262 20 0 FGADRP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)N1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000470896323 501845374 /nfs/dbraw/zinc/84/53/74/501845374.db2.gz FFYPNASJFNGVCI-PMACEKPBSA-N 2 0 364.578 3.014 20 0 FGADRP CC[NH+](CC)CC1CCN(C(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000478001105 501850428 /nfs/dbraw/zinc/85/04/28/501850428.db2.gz YEVYOXPYMBPCTQ-JOCHJYFZSA-N 2 0 371.569 3.479 20 0 FGADRP CCC[N@H+](CC)C[C@@H](C)NC(=O)N[C@H](C)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000460647452 501885384 /nfs/dbraw/zinc/88/53/84/501885384.db2.gz HULRIERMGNHXIF-KZNAEPCWSA-N 2 0 352.567 3.059 20 0 FGADRP CN(C(=O)CC[N@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1)c1ccccc1 ZINC000470996042 501885845 /nfs/dbraw/zinc/88/58/45/501885845.db2.gz QGMSDLQIVGZKRD-OYRHEFFESA-N 2 0 363.505 3.103 20 0 FGADRP Cc1ccc([C@@H]2CC[N@@H+](CC(=O)NC3CC[NH+](C(C)C)CC3)C2)c(C)c1 ZINC000471019571 501892422 /nfs/dbraw/zinc/89/24/22/501892422.db2.gz BLHNVHPOTIFQTR-LJQANCHMSA-N 2 0 357.542 3.082 20 0 FGADRP CCc1cccc(F)c1C[NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000474618722 501895771 /nfs/dbraw/zinc/89/57/71/501895771.db2.gz KCAWXBZOMKKMBX-UHFFFAOYSA-N 2 0 356.489 3.085 20 0 FGADRP CCOC(=O)c1coc(C[NH2+]CC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000474631123 501901213 /nfs/dbraw/zinc/90/12/13/501901213.db2.gz MNDPUZMHUBLAKF-UHFFFAOYSA-N 2 0 356.466 3.458 20 0 FGADRP C[C@@H](CCNC(=O)N(CC[NH+](C)C)C1CCCC1)[N@H+](C)Cc1ccccc1 ZINC000468007417 501927953 /nfs/dbraw/zinc/92/79/53/501927953.db2.gz XMKFVGLAAPZZTC-IBGZPJMESA-N 2 0 374.573 3.413 20 0 FGADRP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1)[C@@H](C)c1ccc(Cl)cc1 ZINC000474708480 501928100 /nfs/dbraw/zinc/92/81/00/501928100.db2.gz LNQKXKORLHODNE-VYDXJSESSA-N 2 0 351.922 3.009 20 0 FGADRP CC(C)C[C@@H](CNC(=O)NC1CC[NH+](C)CC1)[NH2+][C@H](C)c1ccccc1 ZINC000468024331 501933204 /nfs/dbraw/zinc/93/32/04/501933204.db2.gz KQNMIZNSGWDBLO-XLIONFOSSA-N 2 0 360.546 3.145 20 0 FGADRP CC(C)C[C@@H](CNC(=O)NC1CC[NH+](C)CC1)[NH2+][C@@H](C)c1ccccc1 ZINC000468024330 501933511 /nfs/dbraw/zinc/93/35/11/501933511.db2.gz KQNMIZNSGWDBLO-PXNSSMCTSA-N 2 0 360.546 3.145 20 0 FGADRP CC(C)[C@@H]1CCC[C@@H]([NH2+]CCCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC000474732287 501936138 /nfs/dbraw/zinc/93/61/38/501936138.db2.gz UVJKIPMPBFKYMY-WOJBJXKFSA-N 2 0 359.562 3.183 20 0 FGADRP CC[C@]1(C)CC[N@H+](CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)C1 ZINC000468126274 501965543 /nfs/dbraw/zinc/96/55/43/501965543.db2.gz YRIZIPUBFCVWQJ-HXUWFJFHSA-N 2 0 361.555 3.296 20 0 FGADRP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000460955024 501969810 /nfs/dbraw/zinc/96/98/10/501969810.db2.gz ZIXKWCNUCCXTNU-LMDPOFIKSA-N 2 0 352.567 3.057 20 0 FGADRP C[C@@H]1C[C@H](NC(=O)NCC(C)(C)C[NH+]2CCCC2)C[N@@H+]1Cc1ccccc1 ZINC000478412570 501974410 /nfs/dbraw/zinc/97/44/10/501974410.db2.gz DHSNPPKJQDKBGP-QUCCMNQESA-N 2 0 372.557 3.071 20 0 FGADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCC(=O)NCc1ccccc1 ZINC000482113105 501978937 /nfs/dbraw/zinc/97/89/37/501978937.db2.gz XISLZEMQYICMIK-UGKGYDQZSA-N 2 0 365.521 3.193 20 0 FGADRP C[C@H]1Cc2ccccc2[C@@H]1[NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000482116035 501979675 /nfs/dbraw/zinc/97/96/75/501979675.db2.gz UDPWCWDWSPBRFN-PGRDOPGGSA-N 2 0 350.510 3.117 20 0 FGADRP c1ccc2c(c1)CCC[C@@H]2[NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000482126383 501982844 /nfs/dbraw/zinc/98/28/44/501982844.db2.gz XOOXJBBUVODTKK-QFIPXVFZSA-N 2 0 350.510 3.261 20 0 FGADRP CC[NH+]1CCN(c2cccc(NC(=O)C3(C[NH+](C)C)CCCCC3)c2)CC1 ZINC000474981399 502010614 /nfs/dbraw/zinc/01/06/14/502010614.db2.gz SSRZNVUIOOWOHV-UHFFFAOYSA-N 2 0 372.557 3.279 20 0 FGADRP CCCN(CC[NH+](CC)CC)C(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000461181174 502029856 /nfs/dbraw/zinc/02/98/56/502029856.db2.gz OLMDWKRMDUXETN-UHFFFAOYSA-N 2 0 359.558 3.479 20 0 FGADRP CN(C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475100679 502058912 /nfs/dbraw/zinc/05/89/12/502058912.db2.gz KACXEBGRGSCLHO-PMACEKPBSA-N 2 0 374.573 3.269 20 0 FGADRP CC(C)[C@H]1CCCC[C@H]1[NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000482451707 502071860 /nfs/dbraw/zinc/07/18/60/502071860.db2.gz LGQFKRVAVZASKE-WOJBJXKFSA-N 2 0 359.562 3.183 20 0 FGADRP Cc1ccc(C[N@H+]2CCCN(C(=O)C[NH2+][C@H]3CCCC[C@H]3C)CC2)cc1 ZINC000475157361 502085512 /nfs/dbraw/zinc/08/55/12/502085512.db2.gz YOTIBRMZRFYRIM-CTNGQTDRSA-N 2 0 357.542 3.198 20 0 FGADRP C[C@H](C[NH2+][C@H](C)c1ccc(OCC(F)(F)F)cc1)CN1CC[NH+](C)CC1 ZINC000482501290 502089429 /nfs/dbraw/zinc/08/94/29/502089429.db2.gz BTKQACXNXWPKDB-HZPDHXFCSA-N 2 0 373.463 3.162 20 0 FGADRP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@@H+]2C[C@@H](C)CC[C@H]2C)CC1 ZINC000464810740 502101396 /nfs/dbraw/zinc/10/13/96/502101396.db2.gz KYZOGDODFZXKNY-AZUAARDMSA-N 2 0 357.542 3.150 20 0 FGADRP C[C@H]([NH2+]CCc1ccc(OCC[NH+](C)C)cc1)c1ccc2c(c1)OCCO2 ZINC000482544774 502106425 /nfs/dbraw/zinc/10/64/25/502106425.db2.gz VGWCFBCFIUCMNB-KRWDZBQOSA-N 2 0 370.493 3.292 20 0 FGADRP Cc1cc(N2CC[NH+](CCC(=O)N(C)C)CC2)c2cc(Cl)cc(C)c2[nH+]1 ZINC000471712410 502115550 /nfs/dbraw/zinc/11/55/50/502115550.db2.gz CUWGMBGLVLFZFU-UHFFFAOYSA-N 2 0 374.916 3.105 20 0 FGADRP CCC[NH+]1CCN(c2ccccc2C[NH2+]CC[C@H](OC)C(F)(F)F)CC1 ZINC000468604094 502121326 /nfs/dbraw/zinc/12/13/26/502121326.db2.gz XCJYDRDCKHWCSV-SFHVURJKSA-N 2 0 373.463 3.276 20 0 FGADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)c1cccc(CN2CCOCC2)c1 ZINC000482633945 502134317 /nfs/dbraw/zinc/13/43/17/502134317.db2.gz YHQFEWIOBUJBQG-UHFFFAOYSA-N 2 0 367.493 3.141 20 0 FGADRP C[C@H](C[NH+]1CCCCCC1)NC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000482658311 502142632 /nfs/dbraw/zinc/14/26/32/502142632.db2.gz METJYFCIVYZBQV-LJQANCHMSA-N 2 0 372.557 3.346 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)[C@@H](C[NH3+])c1ccc(F)cc1)c1ccccc1 ZINC000479049548 502147159 /nfs/dbraw/zinc/14/71/59/502147159.db2.gz GWRFKBBQBYOQJH-PMACEKPBSA-N 2 0 357.473 3.067 20 0 FGADRP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2C[NH2+][C@@H]2CCN(C3CC3)C2=O)C1 ZINC000482680717 502150495 /nfs/dbraw/zinc/15/04/95/502150495.db2.gz ZXPWKSVFZDZZHL-CBGDNZLLSA-N 2 0 355.526 3.017 20 0 FGADRP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)NCC(C)(C)[NH+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000464953620 502154987 /nfs/dbraw/zinc/15/49/87/502154987.db2.gz PJBJNCQKOBNCFI-OTWHNJEPSA-N 2 0 366.594 3.020 20 0 FGADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)N[C@@H]2CC[NH+]([C@H](C)c3ccccc3)C2)C1 ZINC000464955440 502155975 /nfs/dbraw/zinc/15/59/75/502155975.db2.gz UNLPVGYBLCGONA-SFHLNBCPSA-N 2 0 372.557 3.099 20 0 FGADRP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)NC[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000471866976 502159174 /nfs/dbraw/zinc/15/91/74/502159174.db2.gz YPYYDTLXNFSDGX-ZVDOUQERSA-N 2 0 372.557 3.071 20 0 FGADRP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000471866974 502159552 /nfs/dbraw/zinc/15/95/52/502159552.db2.gz YPYYDTLXNFSDGX-SFHLNBCPSA-N 2 0 372.557 3.071 20 0 FGADRP C[N@H+](CCNC(=O)[C@@H]1CCCC[NH+]1Cc1ccccc1)C1CCCCC1 ZINC000468747856 502169345 /nfs/dbraw/zinc/16/93/45/502169345.db2.gz MRFRKCBYCZVZBW-NRFANRHFSA-N 2 0 357.542 3.422 20 0 FGADRP CC[NH+](CC)Cc1cccc(CNC(=O)[C@H](C[NH3+])c2ccc(F)cc2)c1 ZINC000479221167 502196566 /nfs/dbraw/zinc/19/65/66/502196566.db2.gz IJSHEXVWLLHYGK-HXUWFJFHSA-N 2 0 357.473 3.026 20 0 FGADRP CC(C)OCC[C@H](O)C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000472150683 502248689 /nfs/dbraw/zinc/24/86/89/502248689.db2.gz FEHBUZOGQPTRJF-FKBYEOEOSA-N 2 0 360.542 3.149 20 0 FGADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)NC[C@H]1CC[N@H+](CC(C)C)C1 ZINC000465397644 502250413 /nfs/dbraw/zinc/25/04/13/502250413.db2.gz SVJSPTMLSWNWSP-AABGKKOBSA-N 2 0 366.594 3.164 20 0 FGADRP C[C@@H](C[NH+]1CCCCCC1)NC(=O)NCCCCC[NH+]1CCCCC1 ZINC000483075466 502264844 /nfs/dbraw/zinc/26/48/44/502264844.db2.gz GZEAUPZAZQMFMG-IBGZPJMESA-N 2 0 352.567 3.206 20 0 FGADRP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+]2C[C@H](C)C[C@@H](C)[C@@H]2C)CC1 ZINC000475731238 502268399 /nfs/dbraw/zinc/26/83/99/502268399.db2.gz DAXFCJYHWYKNQF-RLLQIKCJSA-N 2 0 371.569 3.442 20 0 FGADRP CCCC[N@H+](C)C[C@@H](C)NC(=O)N(C)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000462007756 502272131 /nfs/dbraw/zinc/27/21/31/502272131.db2.gz GYVYOEMTVVTZPL-QUCCMNQESA-N 2 0 360.546 3.023 20 0 FGADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)NCc2cccc(C[NH+](CC)CC)c2)C1 ZINC000465512046 502284161 /nfs/dbraw/zinc/28/41/61/502284161.db2.gz FCOLTEWXTPGHKM-OAQYLSRUSA-N 2 0 374.573 3.402 20 0 FGADRP C[C@@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)c1cccc(NS(C)(=O)=O)c1 ZINC000483154205 502295842 /nfs/dbraw/zinc/29/58/42/502295842.db2.gz IGMAKHPQYIJPAV-RHSMWYFYSA-N 2 0 355.548 3.075 20 0 FGADRP CC[NH+](CC)CCO[C@H]1CCN([C@H](C)C(=O)Nc2cc(C)cc(C)c2)C1 ZINC000472281537 502296553 /nfs/dbraw/zinc/29/65/53/502296553.db2.gz UHNBYDUIPPNAGE-QUCCMNQESA-N 2 0 361.530 3.063 20 0 FGADRP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)NC[C@@H](C1CCCCC1)[NH+](C)C ZINC000465541902 502299873 /nfs/dbraw/zinc/29/98/73/502299873.db2.gz MQWPFFYLHJITBT-MOPGFXCFSA-N 2 0 352.567 3.013 20 0 FGADRP C[N@@H+]1CCN(CCC[NH2+]C/C=C/c2ccncc2)[C@H](c2ccccc2)C1 ZINC000486930008 502307249 /nfs/dbraw/zinc/30/72/49/502307249.db2.gz QNLVLKCLCRBZAQ-HVPBSWBLSA-N 2 0 350.510 3.063 20 0 FGADRP CC[NH+](CC)[C@@H]1CCN(C(=O)NCc2ccccc2C[NH+]2CCCCC2)C1 ZINC000465596911 502319966 /nfs/dbraw/zinc/31/99/66/502319966.db2.gz LLODQQWWLXUMFS-OAQYLSRUSA-N 2 0 372.557 3.298 20 0 FGADRP CC(C)[C@H]1CN(C(=O)NCc2ccccc2C[NH+]2CCCCC2)CC[N@@H+]1C ZINC000487039314 502337618 /nfs/dbraw/zinc/33/76/18/502337618.db2.gz BEHJCHCQUDHNMK-OAQYLSRUSA-N 2 0 372.557 3.154 20 0 FGADRP CC(C)[N@@H+]1[C@@H]2CC[C@H]1CN(C(=O)NC[C@@]1([NH+](C)C)CCC[C@@H](C)C1)CC2 ZINC000465683794 502346172 /nfs/dbraw/zinc/34/61/72/502346172.db2.gz ABRXSLVJTFSQBZ-WERVVEIQSA-N 2 0 364.578 3.154 20 0 FGADRP O=C(NC[C@H]1CCC[N@H+](CCC2CC[NH2+]CC2)C1)Nc1cccc(F)c1 ZINC000479699729 502348453 /nfs/dbraw/zinc/34/84/53/502348453.db2.gz KXDMFQQAUSVHSE-QGZVFWFLSA-N 2 0 362.493 3.049 20 0 FGADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)N(C)CC[C@H]2CCCC[NH+]2C)C1 ZINC000465758090 502373975 /nfs/dbraw/zinc/37/39/75/502373975.db2.gz PDUIBSBLLFKXDL-HMXCVIKNSA-N 2 0 372.557 3.338 20 0 FGADRP CO[C@H](CC[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12)C(F)(F)F ZINC000469321237 502374706 /nfs/dbraw/zinc/37/47/06/502374706.db2.gz HDHZWBJAEWDUNE-XMTFNYHQSA-N 2 0 356.432 3.454 20 0 FGADRP CCN(CC[NH+]1CCCCCC1)C(=O)NCCCC[NH+]1CCC(C)CC1 ZINC000479785053 502377431 /nfs/dbraw/zinc/37/74/31/502377431.db2.gz JFZIZGFRZZTIKJ-UHFFFAOYSA-N 2 0 366.594 3.406 20 0 FGADRP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N[C@@H](C)C[NH+](CC)CC ZINC000465768595 502378741 /nfs/dbraw/zinc/37/87/41/502378741.db2.gz CQMQSEXHWLGAMI-PZJWPPBQSA-N 2 0 374.573 3.270 20 0 FGADRP C[C@H](NC(=O)NCCCC[NH+]1CCC(C)CC1)[C@@H](c1ccccc1)[NH+](C)C ZINC000479807771 502383691 /nfs/dbraw/zinc/38/36/91/502383691.db2.gz BFPHPXWAAIQUJD-FPOVZHCZSA-N 2 0 374.573 3.489 20 0 FGADRP C[C@@H]1C[N@@H+](CCC2CC[NH+](CC[C@H]3CCCC[NH+]3C)CC2)C[C@H](C)O1 ZINC000472566584 502386142 /nfs/dbraw/zinc/38/61/42/502386142.db2.gz CYYUSYMJIPJJJV-SVFBPWRDSA-N 3 0 351.579 3.072 20 0 FGADRP CC[C@H](C)[N@H+](C)CCNC(=O)N1CC[C@H](C)[NH+](Cc2ccccc2)CC1 ZINC000465846397 502401635 /nfs/dbraw/zinc/40/16/35/502401635.db2.gz NWIQEFGQGSRTKV-OALUTQOASA-N 2 0 360.546 3.023 20 0 FGADRP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N[C@H]1CC[NH+]2CCC[C@H]2C1 ZINC000469434692 502415980 /nfs/dbraw/zinc/41/59/80/502415980.db2.gz SFBDUMWTKQPBQX-ACRUOGEOSA-N 2 0 372.557 3.069 20 0 FGADRP Fc1cc(OCC[NH+]2CCC(CC[NH+]3CCOCC3)CC2)ccc1Cl ZINC000483583355 502437907 /nfs/dbraw/zinc/43/79/07/502437907.db2.gz NUFHZOLKHDYMOA-UHFFFAOYSA-N 2 0 370.896 3.292 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NC[C@H](C)c1cccc(C)c1 ZINC000465953364 502439115 /nfs/dbraw/zinc/43/91/15/502439115.db2.gz ADUGBGYKXUIIEX-FPOVZHCZSA-N 2 0 374.573 3.156 20 0 FGADRP O=C(c1ccc(Nc2cc[nH+]cc2)cc1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000469496230 502440546 /nfs/dbraw/zinc/44/05/46/502440546.db2.gz RDQLFKIPSIAMAJ-UHFFFAOYSA-N 2 0 364.493 3.195 20 0 FGADRP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)[C@H]1CCCC[NH+]1Cc1ccccc1 ZINC000469568876 502466300 /nfs/dbraw/zinc/46/63/00/502466300.db2.gz MYAUXHMDRQCBEP-NHCUHLMSSA-N 2 0 357.542 3.374 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@]2([NH+](C)C)CCC[C@H](C)C2)C[C@H]1C ZINC000483699163 502467862 /nfs/dbraw/zinc/46/78/62/502467862.db2.gz ZBNDUNDKBTWDIL-DMUMMCEESA-N 2 0 352.567 3.011 20 0 FGADRP C[NH+](C)C1(CNC2CC[NH+](C3CCCCC3)CC2)Cc2ccccc2C1 ZINC000483712546 502472758 /nfs/dbraw/zinc/47/27/58/502472758.db2.gz LIQYPWAQSHELQO-UHFFFAOYSA-N 2 0 355.570 3.472 20 0 FGADRP CCC[NH+]1CCC(CNC(=O)NCC[C@@H](C)[N@H+](C)Cc2ccccc2)CC1 ZINC000473016205 502500849 /nfs/dbraw/zinc/50/08/49/502500849.db2.gz VPUVUYCZYLQBFZ-LJQANCHMSA-N 2 0 374.573 3.318 20 0 FGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]CCC(C)(C)OC)CC1 ZINC000469780508 502543427 /nfs/dbraw/zinc/54/34/27/502543427.db2.gz OMRQHIJLLUCFBT-INIZCTEOSA-N 2 0 351.510 3.433 20 0 FGADRP CC(C)[NH+]1CCC(NC(=O)NC[C@@]2(C)CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000487893869 502558998 /nfs/dbraw/zinc/55/89/98/502558998.db2.gz ILHBWKATKOBIOF-JOCHJYFZSA-N 2 0 372.557 3.213 20 0 FGADRP CCC[C@@H]([NH2+]C(C)C)C(=O)NC[C@H](c1cccc(OC)c1)[NH+]1CCCC1 ZINC000473290665 502560479 /nfs/dbraw/zinc/56/04/79/502560479.db2.gz AKOCPQAIPXMDPW-WOJBJXKFSA-N 2 0 361.530 3.115 20 0 FGADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N(C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000469832656 502561556 /nfs/dbraw/zinc/56/15/56/502561556.db2.gz USCSYCVINAPZSP-HDAAZOAOSA-N 2 0 357.542 3.371 20 0 FGADRP CCC[C@H]([NH2+]C(C)C)C(=O)NC[C@H](c1ccc(OC)cc1)[NH+]1CCCC1 ZINC000473296577 502562278 /nfs/dbraw/zinc/56/22/78/502562278.db2.gz ULEHDFMWAJDSSX-VQTJNVASSA-N 2 0 361.530 3.115 20 0 FGADRP Cc1nn(-c2ccc(Br)cc2)cc1C[N@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000469851549 502568334 /nfs/dbraw/zinc/56/83/34/502568334.db2.gz YWERBRJLUVIZLP-TZMCWYRMSA-N 2 0 363.303 3.112 20 0 FGADRP COC(=O)CCCN1CCC([NH2+]C[C@@H]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC000462783824 502571685 /nfs/dbraw/zinc/57/16/85/502571685.db2.gz WRTYNOZPWKGGTD-CABCVRRESA-N 2 0 364.452 3.362 20 0 FGADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]C[C@](C)(Cc1ccccc1)[C@H](C)O ZINC000480454067 502574066 /nfs/dbraw/zinc/57/40/66/502574066.db2.gz MVXQVHFTLNTTBO-AVRDEDQJSA-N 2 0 364.493 3.295 20 0 FGADRP CCCOc1ccc([C@@H](C)[NH2+]CC2(O)CC[NH+](C)CC2)c(OCCC)c1 ZINC000484138398 502580407 /nfs/dbraw/zinc/58/04/07/502580407.db2.gz DLMDXPAUSSNVMK-QGZVFWFLSA-N 2 0 364.530 3.372 20 0 FGADRP CCC[N@H+](C)[C@H](CNC(=O)[C@H]1C[NH+](C)C[C@@H]1C)c1ccc(Cl)cc1 ZINC000487965685 502582318 /nfs/dbraw/zinc/58/23/18/502582318.db2.gz WWBQYHOVNDEQSF-JCGIZDLHSA-N 2 0 351.922 3.037 20 0 FGADRP C[C@H](CC(C)(C)c1c[nH]c2ccccc21)[NH2+][C@@H](C)CN1CC[NH+](C)CC1 ZINC000462807226 502583040 /nfs/dbraw/zinc/58/30/40/502583040.db2.gz ZHEMXJXTFYAMSX-MSOLQXFVSA-N 2 0 356.558 3.450 20 0 FGADRP COCC[N@@H+]1CCN(c2cc(C)[nH+]c3ccc(OC(F)F)cc32)C[C@@H]1C ZINC000462824991 502588565 /nfs/dbraw/zinc/58/85/65/502588565.db2.gz FMBNOSUDZPRUTG-AWEZNQCLSA-N 2 0 365.424 3.302 20 0 FGADRP CC[C@@H](C(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1)[NH+](CC)CC ZINC000469902333 502591095 /nfs/dbraw/zinc/59/10/95/502591095.db2.gz QBVSDYDWYZENFD-INIZCTEOSA-N 2 0 355.910 3.339 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H]2C[C@H](C)[NH+](Cc3ccccc3)C2)C[C@H]1C ZINC000466523814 502596884 /nfs/dbraw/zinc/59/68/84/502596884.db2.gz AYRCELGLBLXDLV-ZSXPUABSSA-N 2 0 372.557 3.164 20 0 FGADRP CC(C)(C)NC(=O)C[NH+]1CCC(C[NH2+][C@H]2CCc3c2cccc3F)CC1 ZINC000484290458 502615641 /nfs/dbraw/zinc/61/56/41/502615641.db2.gz DKDKMIPTJOVQNW-IBGZPJMESA-N 2 0 361.505 3.029 20 0 FGADRP CC(C)[C@@H]1CCCC[C@H]1[NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000484294923 502616465 /nfs/dbraw/zinc/61/64/65/502616465.db2.gz NMQHEKRALGTQNR-RBUKOAKNSA-N 2 0 351.579 3.418 20 0 FGADRP CC[C@H](C(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1)[NH+](CC)CC ZINC000473523894 502622207 /nfs/dbraw/zinc/62/22/07/502622207.db2.gz UDHKPNRAZOZRRU-UYSNPLJNSA-N 2 0 363.468 3.028 20 0 FGADRP C[C@@H](C(=O)N1CCC[C@H]([NH+](C)C)CC1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000470014054 502629953 /nfs/dbraw/zinc/62/99/53/502629953.db2.gz UMSPJJQRMQJEED-UGKGYDQZSA-N 2 0 371.569 3.272 20 0 FGADRP C[C@H](CNC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C)C[NH+]1CCCCC1 ZINC000484374615 502634336 /nfs/dbraw/zinc/63/43/36/502634336.db2.gz REWGAKFWLLUJOT-SFHLNBCPSA-N 2 0 372.557 3.071 20 0 FGADRP CC(C)[C@@H](C(=O)NC[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1)[NH+](C)C ZINC000476978933 502640116 /nfs/dbraw/zinc/64/01/16/502640116.db2.gz HIJTWXBPTMBIEE-WBAXXEDZSA-N 2 0 369.912 3.174 20 0 FGADRP CC[NH+]1CCC(CC[NH2+][C@H](C)[C@@H](c2ccccc2)N2CCOCC2)CC1 ZINC000480686377 502642803 /nfs/dbraw/zinc/64/28/03/502642803.db2.gz ONDRDHNNQBSRGS-KNQAVFIVSA-N 2 0 359.558 3.160 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H](NC[C@H](C2CCCCC2)[NH+](C)C)[C@H](C)C1 ZINC000480722884 502653174 /nfs/dbraw/zinc/65/31/74/502653174.db2.gz QNTGHSFYMGXOOO-HLAWJBBLSA-N 2 0 353.595 3.224 20 0 FGADRP CC[NH+](CC)CC1CC[NH+]([C@@H](C)C(=O)NC[C@@H](C)c2ccccc2)CC1 ZINC000488355264 502691852 /nfs/dbraw/zinc/69/18/52/502691852.db2.gz ABKUEFCQVOZRTD-MOPGFXCFSA-N 2 0 359.558 3.349 20 0 FGADRP COc1cccc2c1CC[C@H]2[NH2+]Cc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000480903344 502701173 /nfs/dbraw/zinc/70/11/73/502701173.db2.gz DFRMZIZSRKFLHZ-JOCHJYFZSA-N 2 0 365.521 3.220 20 0 FGADRP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)NC[C@H](C2CC2)[N@H+](C)Cc2ccccc2)C1 ZINC000477192579 502703852 /nfs/dbraw/zinc/70/38/52/502703852.db2.gz KJUGEVBFXZMGJP-NJDAHSKKSA-N 2 0 372.557 3.069 20 0 FGADRP C[C@@H](NC(=O)[C@@H](C)[NH+]1CCC(C[NH+](C)C)CC1)c1ccc2c(c1)CCCC2 ZINC000480971049 502716311 /nfs/dbraw/zinc/71/63/11/502716311.db2.gz ZVQABXMMNXYFCB-QZTJIDSGSA-N 2 0 371.569 3.405 20 0 FGADRP C[C@H](C(=O)N[C@@H](C)c1ccc(Cl)cc1)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000480969265 502716577 /nfs/dbraw/zinc/71/65/77/502716577.db2.gz VPGXANLOCLTBIB-LSDHHAIUSA-N 2 0 351.922 3.179 20 0 FGADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC000488487329 502729780 /nfs/dbraw/zinc/72/97/80/502729780.db2.gz ZIWRNIRDTCLWPM-AVRDEDQJSA-N 2 0 365.521 3.389 20 0 FGADRP C[C@@H](Cn1cccn1)[NH2+]CCc1ccc(OCC[N@@H+]2C[C@H](C)[C@H](C)C2)cc1 ZINC000470310753 502732403 /nfs/dbraw/zinc/73/24/03/502732403.db2.gz WIOCMFSNOVNSOX-ZCNNSNEGSA-N 2 0 370.541 3.071 20 0 FGADRP Fc1ccc(CC[NH+]2CCC(NC[C@@H]3CCCC[N@@H+]3C3CC3)CC2)cc1 ZINC000463248382 502735148 /nfs/dbraw/zinc/73/51/48/502735148.db2.gz OUZJQYAHWRXOAD-QFIPXVFZSA-N 2 0 359.533 3.439 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C)C[C@H]1C ZINC000463262981 502740029 /nfs/dbraw/zinc/74/00/29/502740029.db2.gz BNNFLENKJAGAKG-RMVXJAJNSA-N 2 0 372.557 3.021 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)CN(C)Cc1ccccc1 ZINC000488536958 502744369 /nfs/dbraw/zinc/74/43/69/502744369.db2.gz XRWLMGDQLQMSBD-KNQAVFIVSA-N 2 0 365.521 3.145 20 0 FGADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCC(=O)NCc2ccccc2Cl)C[C@H]1C ZINC000484923973 502778475 /nfs/dbraw/zinc/77/84/75/502778475.db2.gz VPBLQMKWIQFDBH-NVXWUHKLSA-N 2 0 351.922 3.151 20 0 FGADRP CCN(C(=O)N[C@H](C)CC[NH+](C)C)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000474009941 502778499 /nfs/dbraw/zinc/77/84/99/502778499.db2.gz MPFPNZHFLJNAFV-GGPKGHCWSA-N 2 0 360.546 3.194 20 0 FGADRP CC[NH+](CC)[C@H](C(=O)NCc1ccc(CC[NH+](C)C)cc1)c1ccccc1 ZINC000467071599 502778870 /nfs/dbraw/zinc/77/88/70/502778870.db2.gz VKPYWKQRXASKQG-QFIPXVFZSA-N 2 0 367.537 3.490 20 0 FGADRP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)NCC[NH+]1CC=CCC1 ZINC000474031873 502784857 /nfs/dbraw/zinc/78/48/57/502784857.db2.gz ORCGPRXTGUBFGQ-IBGZPJMESA-N 2 0 370.541 3.122 20 0 FGADRP CCC[NH+]1CCC(NC(=O)[C@@H]2CCC[N@H+](Cc3cccc(F)c3)C2)CC1 ZINC000588774124 506334507 /nfs/dbraw/zinc/33/45/07/506334507.db2.gz PVZPDXJLOHCIKE-GOSISDBHSA-N 2 0 361.505 3.028 20 0 FGADRP C[C@H]1C[C@H]1[N@@H+]1CCN(C(=O)NCCCCC[NH+]2CCCCC2)C[C@@H](C)C1 ZINC000489152632 502888882 /nfs/dbraw/zinc/88/88/82/502888882.db2.gz YHJHNQIIMZXVQX-SLFFLAALSA-N 2 0 364.578 3.014 20 0 FGADRP CCO[C@H]1C[C@@H]([N@H+](C)CCCN2CC[NH+](C(C)C)CC2)C1(CC)CC ZINC000501006844 502910702 /nfs/dbraw/zinc/91/07/02/502910702.db2.gz ITAKBEJFKPKUDI-UXHICEINSA-N 2 0 353.595 3.318 20 0 FGADRP C[N@@H+](CC(=O)Nc1cc(F)cc(F)c1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501036830 502918015 /nfs/dbraw/zinc/91/80/15/502918015.db2.gz ZJVLWTHXVYSNHJ-UHFFFAOYSA-N 2 0 374.435 3.147 20 0 FGADRP CC[NH+]1CCN(c2ccccc2C[N@@H+]2CCc3ccc(O)cc3C2)CC1 ZINC000509532597 502927715 /nfs/dbraw/zinc/92/77/15/502927715.db2.gz LOQKIMNIFOLEIZ-UHFFFAOYSA-N 2 0 351.494 3.092 20 0 FGADRP CC(C)[NH+](CCCNC(=O)N1CCC(CCC[NH+](C)C)CC1)C(C)C ZINC000501072278 502929045 /nfs/dbraw/zinc/92/90/45/502929045.db2.gz WPQNOVCFVIGCAD-UHFFFAOYSA-N 2 0 354.583 3.259 20 0 FGADRP Cc1oc(C(C)C)cc1C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000509564787 502936167 /nfs/dbraw/zinc/93/61/67/502936167.db2.gz QBMWDHYSLWYSAC-UHFFFAOYSA-N 2 0 370.497 3.049 20 0 FGADRP CC[C@H](C)[NH2+][C@H](CNC(=O)N(C)[C@@H]1CC[N@H+](CC)[C@@H](C)C1)c1ccco1 ZINC000509568562 502937233 /nfs/dbraw/zinc/93/72/33/502937233.db2.gz MITDXJXSMNUFNB-WNRNVDISSA-N 2 0 364.534 3.223 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCO[C@H]2c2ccccc2)[C@@H](C)C1 ZINC000497387552 502945351 /nfs/dbraw/zinc/94/53/51/502945351.db2.gz KNSFOGLUZZYYDY-QESAQDPVSA-N 2 0 360.542 3.491 20 0 FGADRP C[C@@H]1C[C@H](CC[NH2+]Cc2ccc(C(=O)N(C)C)[nH]2)C[N@@H+]1Cc1ccccc1 ZINC000513493905 502952091 /nfs/dbraw/zinc/95/20/91/502952091.db2.gz DLPZZRGLMZTVIQ-MJGOQNOKSA-N 2 0 368.525 3.107 20 0 FGADRP C[N@@H+]1C[C@@H](NC(=O)c2cccc(C[NH+]3CCCC3)c2)[C@@H](c2ccccc2)C1 ZINC000497417606 502954053 /nfs/dbraw/zinc/95/40/53/502954053.db2.gz ODNLVOSBJUMSET-FGZHOGPDSA-N 2 0 363.505 3.110 20 0 FGADRP Cc1ccc(C[NH2+]CC2(O)CC[NH+](C(C)C)CC2)c(Br)c1 ZINC000513544959 502963584 /nfs/dbraw/zinc/96/35/84/502963584.db2.gz NEMUKNYXCBTHJE-UHFFFAOYSA-N 2 0 355.320 3.082 20 0 FGADRP c1ccc(N2CC[NH+](CCCN3CCC[N@@H+](C4CCCC4)CC3)CC2)cc1 ZINC000509697576 502969705 /nfs/dbraw/zinc/96/97/05/502969705.db2.gz KRFVIZDXCCPEDD-UHFFFAOYSA-N 2 0 370.585 3.149 20 0 FGADRP O=C(NCC1([NH+]2CCCCC2)CCCCC1)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000505703225 502970059 /nfs/dbraw/zinc/97/00/59/502970059.db2.gz MMASCMYCBMGPFC-MOPGFXCFSA-N 2 0 362.562 3.101 20 0 FGADRP CCC[N@H+](CC)Cc1ccc(C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)cc1 ZINC000505819547 502992632 /nfs/dbraw/zinc/99/26/32/502992632.db2.gz NOJHGSPRRBUWRS-UHFFFAOYSA-N 2 0 363.465 3.173 20 0 FGADRP Cn1cc2c(n1)CCC[C@H]2[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000509945852 503016280 /nfs/dbraw/zinc/01/62/80/503016280.db2.gz VCLXSMUHTJMXKE-HXUWFJFHSA-N 2 0 354.498 3.062 20 0 FGADRP C[C@@H](CNC(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1)[N@@H+]1CCCC[C@H]1C ZINC000501535669 503032323 /nfs/dbraw/zinc/03/23/23/503032323.db2.gz XARAPVSAAMPLCW-SVFBPWRDSA-N 2 0 372.557 3.386 20 0 FGADRP C[NH+](C)[C@H]1CCC[C@@H](NC(=O)NCc2ccccc2C[NH+]2CCCCC2)C1 ZINC000489793882 503036754 /nfs/dbraw/zinc/03/67/54/503036754.db2.gz CZEUWPPADNZYOU-RTWAWAEBSA-N 2 0 372.557 3.345 20 0 FGADRP CO[C@H](C[NH+]1CCC(C[NH+]2CCOCC2)CC1)c1ccc(Cl)cc1 ZINC000513904391 503045753 /nfs/dbraw/zinc/04/57/53/503045753.db2.gz VOBLRHIBDAOOAA-LJQANCHMSA-N 2 0 352.906 3.072 20 0 FGADRP Cc1ccccc1[C@H]([C@@H](C)NC(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1)[NH+](C)C ZINC000497835707 503051275 /nfs/dbraw/zinc/05/12/75/503051275.db2.gz KEEDKSPZOZTHNG-OPYAIIAOSA-N 2 0 372.557 3.302 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N[C@H](C)C[NH+]1CCCCC1)c1ccccc1 ZINC000501808629 503084882 /nfs/dbraw/zinc/08/48/82/503084882.db2.gz DDNNTRXXQTUORF-UYAOXDASSA-N 2 0 360.546 3.243 20 0 FGADRP CC[NH+](CC)Cc1ccccc1CNC(=O)N[C@H](C)C[NH+]1CCCCC1 ZINC000501840475 503091376 /nfs/dbraw/zinc/09/13/76/503091376.db2.gz DCQCSTUSBWTAPA-GOSISDBHSA-N 2 0 360.546 3.202 20 0 FGADRP Cn1nccc1-c1ccccc1C[NH2+]Cc1ccccc1OCC[NH+](C)C ZINC000510321132 503091989 /nfs/dbraw/zinc/09/19/89/503091989.db2.gz RDCADSOSMWWNQZ-UHFFFAOYSA-N 2 0 364.493 3.317 20 0 FGADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)N2CCCC23CC[NH+](C)CC3)C1 ZINC000510344554 503095884 /nfs/dbraw/zinc/09/58/84/503095884.db2.gz COARARJJRFQMCC-QUCCMNQESA-N 2 0 370.541 3.092 20 0 FGADRP C[C@@H](CC[NH+](C)C)NC(=O)NC[C@@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000514202306 503111207 /nfs/dbraw/zinc/11/12/07/503111207.db2.gz VOHIECDSZYSVRJ-IRXDYDNUSA-N 2 0 366.575 3.161 20 0 FGADRP CCCC[NH+]1CCC(NC(=O)NC[C@@H](C(C)C)[NH+]2CCC(C)CC2)CC1 ZINC000514219485 503115892 /nfs/dbraw/zinc/11/58/92/503115892.db2.gz QRRXYPSSZVPBSC-FQEVSTJZSA-N 2 0 366.594 3.307 20 0 FGADRP C[C@@H](NC(=O)NCC1([NH+](C)C)CCCCC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000510551421 503142720 /nfs/dbraw/zinc/14/27/20/503142720.db2.gz UIGREECTKPXOGV-MSOLQXFVSA-N 2 0 364.578 3.203 20 0 FGADRP COc1ccc(-c2nn(-c3ccccc3)cc2C[N@H+](C)CCC[NH3+])cc1 ZINC000582666284 506354486 /nfs/dbraw/zinc/35/44/86/506354486.db2.gz NVVSFPTUWQOOMM-UHFFFAOYSA-N 2 0 350.466 3.329 20 0 FGADRP C[C@@H](CCc1c(F)cccc1F)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000510687170 503172769 /nfs/dbraw/zinc/17/27/69/503172769.db2.gz OCONTKVNFNUZMD-INIZCTEOSA-N 2 0 374.479 3.223 20 0 FGADRP CC[NH+]1CCN(Cc2ccccc2C[NH2+][C@H]2CCCC23CCOCC3)CC1 ZINC000502281575 503173855 /nfs/dbraw/zinc/17/38/55/503173855.db2.gz YGDIYQWSXBZTNW-QFIPXVFZSA-N 2 0 371.569 3.263 20 0 FGADRP CCc1cc(OC)ccc1C[NH+]1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC000502278910 503174163 /nfs/dbraw/zinc/17/41/63/503174163.db2.gz FVECCFQCUJWTSJ-UHFFFAOYSA-N 2 0 359.558 3.248 20 0 FGADRP COC(=O)c1cc2c(o1)c(OC)ccc2C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000506888803 503190502 /nfs/dbraw/zinc/19/05/02/503190502.db2.gz BANVBLFWKJBHDB-UHFFFAOYSA-N 2 0 360.454 3.002 20 0 FGADRP C[C@@H]1CCC[N@H+](CCNC(=O)N2CCC[C@H](C[NH+]3CCCC[C@H]3C)C2)C1 ZINC000506927805 503196340 /nfs/dbraw/zinc/19/63/40/503196340.db2.gz BKYQRVBGAJVVBZ-VAMGGRTRSA-N 2 0 364.578 3.014 20 0 FGADRP CC[C@H](c1ccc(F)cc1F)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000490651707 503209773 /nfs/dbraw/zinc/20/97/73/503209773.db2.gz TWXSUEYRRNJMEW-CDHQVMDDSA-N 2 0 351.485 3.374 20 0 FGADRP C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)c3ccccc3CC[NH3+])cc2)C1 ZINC000514869259 503215611 /nfs/dbraw/zinc/21/56/11/503215611.db2.gz KJLWUGGDNQRHSZ-SFHVURJKSA-N 2 0 365.521 3.350 20 0 FGADRP C[NH+](C)C1(CNC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)CCCCCC1 ZINC000498605690 503224427 /nfs/dbraw/zinc/22/44/27/503224427.db2.gz JHQFUCOGDBVMCN-FQEVSTJZSA-N 2 0 357.542 3.422 20 0 FGADRP CCC[C@@H]([NH2+]C(C)C)C(=O)N1CCC[C@H]([N@H+](C)Cc2ccccn2)CC1 ZINC000507090688 503228146 /nfs/dbraw/zinc/22/81/46/503228146.db2.gz VDLTYOKUNBODFZ-VQTJNVASSA-N 2 0 360.546 3.061 20 0 FGADRP O=C1C[C@H]([NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)[C@H]2CCCCN12 ZINC000510999104 503233148 /nfs/dbraw/zinc/23/31/48/503233148.db2.gz ORCXAENYSFCWGU-OQEHDIDLSA-N 2 0 367.537 3.030 20 0 FGADRP C[C@H]1C[N@H+](CCc2ccc3ccccc3c2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000490962965 503252453 /nfs/dbraw/zinc/25/24/53/503252453.db2.gz WWQPTYKXKNUUGZ-CVDCTZTESA-N 2 0 351.538 3.340 20 0 FGADRP Cc1oc(-c2ccsc2)nc1CN1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000490998830 503258386 /nfs/dbraw/zinc/25/83/86/503258386.db2.gz QWQLGKVISPTJTB-KXBFYZLASA-N 2 0 374.554 3.169 20 0 FGADRP Cc1cc([C@@H](C)NCc2ccccc2OCCN2CCOCC2)oc1C ZINC000502723142 503258445 /nfs/dbraw/zinc/25/84/45/503258445.db2.gz BKRDAZCUTHFUHE-QGZVFWFLSA-N 2 0 358.482 3.458 20 0 FGADRP CC1CC[NH+](CCCCNC(=O)NCCCC[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000502806348 503277723 /nfs/dbraw/zinc/27/77/23/503277723.db2.gz CWHYLICFPLOPKU-HXUWFJFHSA-N 2 0 366.594 3.310 20 0 FGADRP CC(C)CC[NH+]1CCC(CNC(=O)N2CC[C@H]([NH+]3CCCC3)[C@@H]2C)CC1 ZINC000498907357 503288840 /nfs/dbraw/zinc/28/88/40/503288840.db2.gz LVGWOICAVBRHGE-ICSRJNTNSA-N 2 0 364.578 3.013 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000502863658 503292518 /nfs/dbraw/zinc/29/25/18/503292518.db2.gz XWWDAPBLYVGIBQ-LJQANCHMSA-N 2 0 364.578 3.301 20 0 FGADRP Cc1cccc(NCC[NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)n1 ZINC000507464384 503303061 /nfs/dbraw/zinc/30/30/61/503303061.db2.gz XJSUNZIUIIRRQA-QHAWAJNXSA-N 2 0 350.510 3.302 20 0 FGADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N2CC[NH+](C)CC[C@H]2C)cc1 ZINC000502912250 503306593 /nfs/dbraw/zinc/30/65/93/503306593.db2.gz LVGMTMMSRZXGAC-RBUKOAKNSA-N 2 0 372.557 3.297 20 0 FGADRP C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)N3CC[NH+](C)CC[C@@H]3C)cc2)C1 ZINC000502937574 503311060 /nfs/dbraw/zinc/31/10/60/503311060.db2.gz WBHKKVHQKZSBJM-OALUTQOASA-N 2 0 372.557 3.154 20 0 FGADRP C[C@H](C[NH2+]Cc1cn(Cc2ccccc2)nc1-c1cccnc1)C[NH+](C)C ZINC000491589172 503322556 /nfs/dbraw/zinc/32/25/56/503322556.db2.gz OLGWBRPBVOHVGY-GOSISDBHSA-N 2 0 363.509 3.281 20 0 FGADRP CC[N@@H+]1C[C@H](C)N(C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)C[C@H]1C ZINC000499088043 503331014 /nfs/dbraw/zinc/33/10/14/503331014.db2.gz CNMFPBJOPCSZNZ-IKGGRYGDSA-N 2 0 364.559 3.009 20 0 FGADRP CC[C@H](CC1CCCC1)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000511549615 503342058 /nfs/dbraw/zinc/34/20/58/503342058.db2.gz DPTCCHIDGUCTNG-HXUWFJFHSA-N 2 0 372.557 3.316 20 0 FGADRP CC(C)[C@H]1CCC[N@@H+]1CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000507664327 503342287 /nfs/dbraw/zinc/34/22/87/503342287.db2.gz LZVDRLUYMWHDTP-LJQANCHMSA-N 2 0 361.555 3.294 20 0 FGADRP C[N@H+](CC1CC1)C[C@H]1CC[NH+](CCC(=O)N2CCCc3ccccc32)C1 ZINC000503114948 503350109 /nfs/dbraw/zinc/35/01/09/503350109.db2.gz MCAJGXMJADHLSN-LJQANCHMSA-N 2 0 355.526 3.020 20 0 FGADRP COC(=O)c1cccc(C[NH2+][C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000492510958 503372199 /nfs/dbraw/zinc/37/21/99/503372199.db2.gz AHVKGALECDPWCJ-UWJYYQICSA-N 2 0 352.478 3.473 20 0 FGADRP CC[NH+](CC)Cc1ccc(CNC(=O)NCC2(C)CC[NH+](C)CC2)cc1 ZINC000508064592 503422086 /nfs/dbraw/zinc/42/20/86/503422086.db2.gz TVPUXIQDPXZQCI-UHFFFAOYSA-N 2 0 360.546 3.060 20 0 FGADRP CN(C)Cc1cnc(CNCCOc2ccccc2C(F)(F)F)s1 ZINC000512056487 503445891 /nfs/dbraw/zinc/44/58/91/503445891.db2.gz GNTNBMZUFITRBX-UHFFFAOYSA-N 2 0 359.417 3.392 20 0 FGADRP COc1cc2c(cc1OC)CC[NH+](Cc1cnc3c(C)cccn13)CC2 ZINC000512055603 503446450 /nfs/dbraw/zinc/44/64/50/503446450.db2.gz XWIMNWVSEDLUSH-UHFFFAOYSA-N 2 0 351.450 3.261 20 0 FGADRP C[NH+](C)CCOc1ccc(CC[NH2+][C@@H]2CCc3ccccc3OC2)cc1 ZINC000493846823 503449913 /nfs/dbraw/zinc/44/99/13/503449913.db2.gz QDCIQWFJDGCZDO-HXUWFJFHSA-N 2 0 354.494 3.153 20 0 FGADRP CCN(CCC[NH+]1CCCC1)C(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000508197726 503451066 /nfs/dbraw/zinc/45/10/66/503451066.db2.gz HUQSBQDBMOXJAV-UHFFFAOYSA-N 2 0 357.542 3.233 20 0 FGADRP Cc1cc([C@H](C)[NH2+]C2CCN(CC[NH+](C)C)CC2)sc1Br ZINC000512145741 503468501 /nfs/dbraw/zinc/46/85/01/503468501.db2.gz NHRJOHHQZFZGKS-ZDUSSCGKSA-N 2 0 374.392 3.496 20 0 FGADRP C[C@@H]1[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)CC[N@@H+]1Cc1ccccc1 ZINC000494000581 503472136 /nfs/dbraw/zinc/47/21/36/503472136.db2.gz SLVDMWWCAAFOOY-DYESRHJHSA-N 2 0 351.494 3.141 20 0 FGADRP CC(C)[NH+](CCN(C)C(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1)C(C)C ZINC000503978547 503503110 /nfs/dbraw/zinc/50/31/10/503503110.db2.gz QONBEHLPWZWZHY-KDURUIRLSA-N 2 0 354.583 3.115 20 0 FGADRP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)[C@@H]3CCC[N@@H+]3C3CC3)cc2)C1 ZINC000494281138 503518730 /nfs/dbraw/zinc/51/87/30/503518730.db2.gz BTUSQEYDFKWCNE-HMFYCAOWSA-N 2 0 369.553 3.408 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)[C@H]3CCC[NH+]3C3CC3)cc2)C1 ZINC000494281140 503519052 /nfs/dbraw/zinc/51/90/52/503519052.db2.gz BTUSQEYDFKWCNE-KGVIQGDOSA-N 2 0 369.553 3.408 20 0 FGADRP C[C@H]([NH2+]Cc1ccc2cnn(C)c2c1)c1cccc(OCC[NH+](C)C)c1 ZINC000516522208 503526836 /nfs/dbraw/zinc/52/68/36/503526836.db2.gz GEKINZZDYJFYLA-INIZCTEOSA-N 2 0 352.482 3.365 20 0 FGADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)NC[C@H]1CCCc2ccccc21 ZINC000504188585 503536104 /nfs/dbraw/zinc/53/61/04/503536104.db2.gz IFGLUDGXHBBEHF-HXUWFJFHSA-N 2 0 374.573 3.022 20 0 FGADRP C[C@@H]1CCC[C@@](CNC(=O)NCCC[N@@H+]2CCCC[C@H]2C)([NH+](C)C)C1 ZINC000516560947 503536771 /nfs/dbraw/zinc/53/67/71/503536771.db2.gz XDAAPYOWTUDXJM-QWFCFKBJSA-N 2 0 352.567 3.061 20 0 FGADRP CC[NH+](CC)CC1CCN(C(=O)NCc2cccc(C[NH+](C)C)c2)CC1 ZINC000504193410 503537033 /nfs/dbraw/zinc/53/70/33/503537033.db2.gz AVBWVWPEPDHSNQ-UHFFFAOYSA-N 2 0 360.546 3.012 20 0 FGADRP Cc1cc([C@H](C)[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)sc1Br ZINC000512398655 503537245 /nfs/dbraw/zinc/53/72/45/503537245.db2.gz BWFZDJYPPJMADW-ZDUSSCGKSA-N 2 0 374.392 3.496 20 0 FGADRP C[C@H]1CCC[C@@H]([NH+]2CCC([NH2+]Cc3ccccc3Cn3cncn3)CC2)C1 ZINC000508730735 503553054 /nfs/dbraw/zinc/55/30/54/503553054.db2.gz ROBVMPTVWDTTLW-PGRDOPGGSA-N 2 0 367.541 3.459 20 0 FGADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+][C@H]1CCN(c2cccc(Br)c2)C1 ZINC000494505061 503553055 /nfs/dbraw/zinc/55/30/55/503553055.db2.gz JFBUONQDZYIWRO-AHEZYBDSSA-N 2 0 366.347 3.346 20 0 FGADRP O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000504325288 503556264 /nfs/dbraw/zinc/55/62/64/503556264.db2.gz OUWSMFPEHXITGM-RTWAWAEBSA-N 2 0 370.541 3.099 20 0 FGADRP COC(=O)c1ccc(-c2nc(CN(C)C3C[C@H]4CC[C@@H](C3)[NH2+]4)cs2)cc1 ZINC000516770814 503583733 /nfs/dbraw/zinc/58/37/33/503583733.db2.gz OAEGHJAFRZUXSW-BYICEURKSA-N 2 0 371.506 3.312 20 0 FGADRP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)CC[C@@H]3CCC[NH2+]3)cc2)C1 ZINC000494683441 503591139 /nfs/dbraw/zinc/59/11/39/503591139.db2.gz AIBOSXVFQKNNGG-OPYAIIAOSA-N 2 0 357.542 3.313 20 0 FGADRP O[C@H](C[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21)Cc1ccccc1 ZINC000512613477 503595887 /nfs/dbraw/zinc/59/58/87/503595887.db2.gz RUOQMTKDVMHWNU-UEQSERJNSA-N 2 0 364.533 3.480 20 0 FGADRP CC(C[NH+]1CCC[C@H](OCC2CC2)C1)C[N@@H+]1CCC[C@H](OCC2CC2)C1 ZINC000494704629 503597090 /nfs/dbraw/zinc/59/70/90/503597090.db2.gz SVJFEACUVHXWEO-VXKWHMMOSA-N 2 0 364.574 3.405 20 0 FGADRP Cc1ccccc1[C@@H]([C@H](C)NC(=O)N1CCC([NH+]2CCCC2)CC1)[NH+](C)C ZINC000508926892 503602522 /nfs/dbraw/zinc/60/25/22/503602522.db2.gz WMAITRORPNEQMI-GHTZIAJQSA-N 2 0 372.557 3.256 20 0 FGADRP CC[N@H+](CCC1CC[NH+](Cc2ccc(C(=O)OC)cn2)CC1)CC(C)C ZINC000509029864 503624375 /nfs/dbraw/zinc/62/43/75/503624375.db2.gz IVBMZBNDUHUIAY-UHFFFAOYSA-N 2 0 361.530 3.448 20 0 FGADRP CSc1ccc(OC[C@@H](O)C[NH2+]C[C@H]2CCC[N@H+](CC(C)C)C2)cc1 ZINC000517025445 503646624 /nfs/dbraw/zinc/64/66/24/503646624.db2.gz SNTUURXGESPZRD-MSOLQXFVSA-N 2 0 366.571 3.106 20 0 FGADRP CC[C@@H]([NH2+][C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C)c1ccccc1F ZINC000495067892 503655620 /nfs/dbraw/zinc/65/56/20/503655620.db2.gz PSKIOSGQVDQZEO-RTWAWAEBSA-N 2 0 371.500 3.156 20 0 FGADRP C[NH+](C)CCOc1ccc(CC[NH2+][C@@H](c2nnc[nH]2)C2CCCCC2)cc1 ZINC000495081287 503661026 /nfs/dbraw/zinc/66/10/26/503661026.db2.gz GASASMMIIAPKAX-HXUWFJFHSA-N 2 0 371.529 3.199 20 0 FGADRP C[NH+](C)CCOc1ccc(CC[NH2+][C@H](c2nnc[nH]2)C2CCCCC2)cc1 ZINC000495081286 503661176 /nfs/dbraw/zinc/66/11/76/503661176.db2.gz GASASMMIIAPKAX-FQEVSTJZSA-N 2 0 371.529 3.199 20 0 FGADRP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(C)c(OCC(=O)OC)c(C)c2)C[C@@H]1C ZINC000536660016 503664502 /nfs/dbraw/zinc/66/45/02/503664502.db2.gz SHQPEUJZJKLZGG-HKUYNNGSSA-N 2 0 362.514 3.160 20 0 FGADRP Cc1cc(Br)ccc1C[NH+]1CCC(OCC[NH+](C)C)CC1 ZINC000536677071 503673919 /nfs/dbraw/zinc/67/39/19/503673919.db2.gz YDOSBOYGLSBVAW-UHFFFAOYSA-N 2 0 355.320 3.300 20 0 FGADRP CCC[NH+]1CCN(c2ccccc2C[N@H+](C)[C@H]2CCN(C)[C@@H](C)C2)CC1 ZINC000536681031 503678819 /nfs/dbraw/zinc/67/88/19/503678819.db2.gz JLTLTJORUSOTNN-FPOVZHCZSA-N 2 0 358.574 3.133 20 0 FGADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)Nc1ncc(C2CCCCC2)s1 ZINC000527132047 503692084 /nfs/dbraw/zinc/69/20/84/503692084.db2.gz JLHHTLDVXSBTEA-UHFFFAOYSA-N 2 0 367.563 3.148 20 0 FGADRP Cc1cc2c(cc1C)[C@H]([NH2+]C1CC[NH+]([C@H]3CCC[C@@H]3O)CC1)CCCO2 ZINC000540159893 503692832 /nfs/dbraw/zinc/69/28/32/503692832.db2.gz ABVGNBMTTOWAIT-HKBOAZHASA-N 2 0 358.526 3.485 20 0 FGADRP COCC[C@H]([NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(F)cc1 ZINC000540169607 503695583 /nfs/dbraw/zinc/69/55/83/503695583.db2.gz FLBIOZKHQSXDDX-QKLQHJQFSA-N 2 0 352.494 3.382 20 0 FGADRP C[C@H](CCNC(=O)N[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1)[NH+]1CCCCC1 ZINC000543299872 503716365 /nfs/dbraw/zinc/71/63/65/503716365.db2.gz FBGQNBITVBAZAK-SVFBPWRDSA-N 2 0 372.557 3.386 20 0 FGADRP C[C@H](CCNC(=O)NCCC[N@H+](C)C1CCCCC1)[NH+]1CCCCC1 ZINC000543351731 503735173 /nfs/dbraw/zinc/73/51/73/503735173.db2.gz KQTIQDKGMFJJBK-GOSISDBHSA-N 2 0 352.567 3.205 20 0 FGADRP CC[N@@H+](Cc1cn(-c2cc[nH+]cc2)nc1C)C[C@@H]1COc2ccccc2O1 ZINC000543396973 503753208 /nfs/dbraw/zinc/75/32/08/503753208.db2.gz SLAIRMNAHNLENJ-LJQANCHMSA-N 2 0 364.449 3.238 20 0 FGADRP Cc1nn(-c2cc[nH+]cc2)cc1CN1CCC[C@H]([NH+]2[C@H](C)CC[C@H]2C)C1 ZINC000543397059 503753302 /nfs/dbraw/zinc/75/33/02/503753302.db2.gz VZUQZYHXXIGDOC-LZJOCLMNSA-N 2 0 353.514 3.413 20 0 FGADRP Cc1cc([C@H]([NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)c2cccnc2)ccc1F ZINC000543404670 503756818 /nfs/dbraw/zinc/75/68/18/503756818.db2.gz PYYUUAJWSZDWNA-IRLDBZIGSA-N 2 0 371.500 3.445 20 0 FGADRP C[C@@H](NC(=O)C[NH+]1CCC(C[NH+](C)C)CC1)c1ccc(Cl)cc1Cl ZINC000533242417 503772424 /nfs/dbraw/zinc/77/24/24/503772424.db2.gz AHTIRRHEJABBFT-CYBMUJFWSA-N 2 0 372.340 3.444 20 0 FGADRP O=C(NCC[NH+]1CCCC1)c1ccc(C[NH2+][C@H]2CCC[C@@H]2C2CC2)cc1 ZINC000537015735 503777821 /nfs/dbraw/zinc/77/78/21/503777821.db2.gz JGPUIQLQYZLLPI-RTWAWAEBSA-N 2 0 355.526 3.181 20 0 FGADRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC[C@H](c2cccs2)[NH+](C)C)C1 ZINC000517593265 503780612 /nfs/dbraw/zinc/78/06/12/503780612.db2.gz MEQMOPRQXGKARL-HZPDHXFCSA-N 2 0 366.575 3.161 20 0 FGADRP CC(C)[N@H+](C)CC1CC[NH+](CC(=O)NC23CC4CC(CC(C4)C2)C3)CC1 ZINC000533408771 503834363 /nfs/dbraw/zinc/83/43/63/503834363.db2.gz HLXLAOBRDKAEGJ-UHFFFAOYSA-N 2 0 361.574 3.124 20 0 FGADRP C[C@H](NC(=O)CN(C)C[C@H]1CCC[N@H+](C)C1)c1ccc(Cl)cc1Cl ZINC000533431519 503842715 /nfs/dbraw/zinc/84/27/15/503842715.db2.gz OTNWQZPBVWXQST-KBPBESRZSA-N 2 0 372.340 3.444 20 0 FGADRP C[C@H]([NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1)c1cccc(F)c1F ZINC000540660914 503848310 /nfs/dbraw/zinc/84/83/10/503848310.db2.gz AOQZYSGYIJFBPO-AWEZNQCLSA-N 2 0 367.484 3.242 20 0 FGADRP C[N@H+](CCC(=O)NCCC[NH+]1CCc2ccccc2C1)C1CCCCC1 ZINC000546723159 503852583 /nfs/dbraw/zinc/85/25/83/503852583.db2.gz QYGDSOLYNRNXSB-UHFFFAOYSA-N 2 0 357.542 3.206 20 0 FGADRP C[N@H+](CCC(=O)NC1CC[NH+](Cc2ccccc2)CC1)C1CCCCC1 ZINC000546722573 503852878 /nfs/dbraw/zinc/85/28/78/503852878.db2.gz MHAMGFXYJZVUNT-UHFFFAOYSA-N 2 0 357.542 3.422 20 0 FGADRP COc1cc(OC)c(C2CC[NH+]([C@H](C)CCCC[NH3+])CC2)c(OC)c1 ZINC000530207313 503876788 /nfs/dbraw/zinc/87/67/88/503876788.db2.gz DCXNWAQZHQCZSQ-OAHLLOKOSA-N 2 0 350.503 3.409 20 0 FGADRP Cc1cc(Br)ccc1C[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530241775 503890603 /nfs/dbraw/zinc/89/06/03/503890603.db2.gz RCZBAPOGDFSHMJ-GOSISDBHSA-N 2 0 367.331 3.348 20 0 FGADRP c1sc(C[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)nc1-c1ccccc1 ZINC000530247894 503893475 /nfs/dbraw/zinc/89/34/75/503893475.db2.gz COIQNWVKKQMZME-SFHVURJKSA-N 2 0 357.523 3.401 20 0 FGADRP CCCOc1ccc(C[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)cc1OC ZINC000530248983 503893792 /nfs/dbraw/zinc/89/37/92/503893792.db2.gz RRRQIWFIPXMNCH-LJQANCHMSA-N 2 0 362.514 3.075 20 0 FGADRP Fc1cccc(N2CCCC2)c1C[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530249041 503894197 /nfs/dbraw/zinc/89/41/97/503894197.db2.gz SUPFZSFSPPKWRC-GOSISDBHSA-N 2 0 361.505 3.016 20 0 FGADRP CC[N@H+](CCC1CC1)CC(=O)N1CCC[NH+](Cc2ccc(C)cc2)CC1 ZINC000546933039 503930296 /nfs/dbraw/zinc/93/02/96/503930296.db2.gz YHRSUVNGQRIGLW-UHFFFAOYSA-N 2 0 357.542 3.151 20 0 FGADRP Fc1cccc(F)c1C[NH2+]CCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000518269643 503940069 /nfs/dbraw/zinc/94/00/69/503940069.db2.gz LDICCDQCLMYOFB-UHFFFAOYSA-N 2 0 359.464 3.262 20 0 FGADRP CCN1CC[NH+](CCCC[NH2+][C@@H]2CCc3cc(F)c(Cl)cc32)CC1 ZINC000527855453 503973347 /nfs/dbraw/zinc/97/33/47/503973347.db2.gz XVHSLVQJRVZPTN-LJQANCHMSA-N 2 0 353.913 3.474 20 0 FGADRP CC1(C)CN(C2(C[NH2+]C3CC[NH+](CC4CC4)CC3)CCCCC2)CCO1 ZINC000544035092 503981969 /nfs/dbraw/zinc/98/19/69/503981969.db2.gz XYAVUZCQIDXHDH-UHFFFAOYSA-N 2 0 363.590 3.264 20 0 FGADRP CC[NH+](CC)CCCC1CCN(C(=O)NC2CC[NH+](CC)CC2)CC1 ZINC000541153281 504024534 /nfs/dbraw/zinc/02/45/34/504024534.db2.gz HARZTZXYTAFZOD-UHFFFAOYSA-N 2 0 352.567 3.014 20 0 FGADRP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH2+]C[C@H]1CCCN1c1cccnn1 ZINC000530619092 504029114 /nfs/dbraw/zinc/02/91/14/504029114.db2.gz XUZSEGJJTKRUIE-HXUWFJFHSA-N 2 0 367.541 3.193 20 0 FGADRP C[C@@H]1C[NH+](CCCC[NH2+]Cc2ccc(OCC(F)F)cc2)C[C@@H](C)O1 ZINC000530633423 504034096 /nfs/dbraw/zinc/03/40/96/504034096.db2.gz PVOMHMIKTSJVKS-HZPDHXFCSA-N 2 0 356.457 3.310 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)CC(=O)N[C@@H](c2ccc(OC)cc2)C2CC2)C[C@@H]1C ZINC000530662416 504043327 /nfs/dbraw/zinc/04/33/27/504043327.db2.gz ZYHKVRVNGGRIFT-XWFZLUIHSA-N 2 0 373.541 3.067 20 0 FGADRP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(OC)c3oc(C(=O)OC)cc32)C1 ZINC000530664979 504045542 /nfs/dbraw/zinc/04/55/42/504045542.db2.gz WNEPMEBTHCBEGZ-AWEZNQCLSA-N 2 0 360.454 3.050 20 0 FGADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@@H](C)[C@@H]1OCCc2sccc21 ZINC000518748257 504053909 /nfs/dbraw/zinc/05/39/09/504053909.db2.gz LSCOAWQKTDQWHU-LIRRHRJNSA-N 2 0 354.479 3.429 20 0 FGADRP CC[NH+]1CCC(Nc2cccc(NC(=O)C[NH+]3CCCCCC3)c2)CC1 ZINC000547310449 504056441 /nfs/dbraw/zinc/05/64/41/504056441.db2.gz OWMURNRLVUQKEA-UHFFFAOYSA-N 2 0 358.530 3.397 20 0 FGADRP CC[N@H+](CCC1CC[NH+](CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1)CC1CC1 ZINC000537849811 504065392 /nfs/dbraw/zinc/06/53/92/504065392.db2.gz SUVYLCOBDDJUCN-RTBURBONSA-N 2 0 363.590 3.325 20 0 FGADRP CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)NC[C@@H]1CC[NH+](C(C)C)C1 ZINC000547387771 504087287 /nfs/dbraw/zinc/08/72/87/504087287.db2.gz ZBYXPXDAJPVTEA-LEWJYISDSA-N 2 0 374.573 3.173 20 0 FGADRP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)NC[C@H]1CC[NH+](C(C)C)C1 ZINC000547387773 504087518 /nfs/dbraw/zinc/08/75/18/504087518.db2.gz ZBYXPXDAJPVTEA-RTWAWAEBSA-N 2 0 374.573 3.173 20 0 FGADRP C[C@H](C[NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1)Cc1ccccc1 ZINC000544406745 504122335 /nfs/dbraw/zinc/12/23/35/504122335.db2.gz ZUDAKJUMWWHTTH-FQEVSTJZSA-N 2 0 352.526 3.062 20 0 FGADRP CC[N@H+](C)[C@H](C(=O)NCC[NH+](C)Cc1ccc(F)cc1)c1ccccc1 ZINC000530895670 504122509 /nfs/dbraw/zinc/12/25/09/504122509.db2.gz YDGJEOJSSGZOKO-FQEVSTJZSA-N 2 0 357.473 3.067 20 0 FGADRP C[NH+]1CCN(c2cc[nH+]cc2NCc2ccc(OCC3CC3)cc2)CC1 ZINC000519049639 504128244 /nfs/dbraw/zinc/12/82/44/504128244.db2.gz KWVOTHCJQSBJBD-UHFFFAOYSA-N 2 0 352.482 3.234 20 0 FGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@H](c2ccc3[nH]c(=O)oc3c2)C(C)C)CC1 ZINC000538098108 504132493 /nfs/dbraw/zinc/13/24/93/504132493.db2.gz AMLHAWHHWGLOIC-JXFKEZNVSA-N 2 0 374.529 3.094 20 0 FGADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+](CCCO)[C@H]1CCc2ccccc21 ZINC000541534876 504167245 /nfs/dbraw/zinc/16/72/45/504167245.db2.gz ZTGLKCSAXFZDQO-QFIPXVFZSA-N 2 0 362.477 3.448 20 0 FGADRP CC[NH+](CC)CC1CC[NH+]([C@@H](C)C(=O)N2CCc3ccccc3C2)CC1 ZINC000519224238 504168808 /nfs/dbraw/zinc/16/88/08/504168808.db2.gz YHDSCGNEQYGLSM-SFHVURJKSA-N 2 0 357.542 3.014 20 0 FGADRP CC[NH+](CC)CC1CC[NH+]([C@H](C)C(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)CC1 ZINC000519224215 504169738 /nfs/dbraw/zinc/16/97/38/504169738.db2.gz WJQMRQPYPKYLSU-JRBPQWBISA-N 2 0 351.579 3.370 20 0 FGADRP C[C@@H]1[C@H](C)[N@H+](C)CCN1C(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000544605290 504189050 /nfs/dbraw/zinc/18/90/50/504189050.db2.gz JTURZJYRSNXYJB-ZWKOTPCHSA-N 2 0 374.529 3.108 20 0 FGADRP CC(C)(C)[C@H]1CC[N@H+](CCCC[NH+]2CC[C@@H](C(C)(C)C)[C@@H](O)C2)C[C@H]1O ZINC000541618159 504201784 /nfs/dbraw/zinc/20/17/84/504201784.db2.gz LBLAHZOBHIZDRE-JVSBHGNQSA-N 2 0 368.606 3.224 20 0 FGADRP CC[C@H]1CN(C(=O)NC[C@@H]2CC[NH+](C(C)C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000544683972 504216991 /nfs/dbraw/zinc/21/69/91/504216991.db2.gz ZEDLDVNYCWXDGQ-SFTDATJTSA-N 2 0 372.557 3.023 20 0 FGADRP CCC[C@@H]1CN(C(=O)N[C@H](C)CC[NH+](C)C)CC[N@@H+]1Cc1ccccc1 ZINC000538388353 504230436 /nfs/dbraw/zinc/23/04/36/504230436.db2.gz XGUHXQCVOHOJKZ-UYAOXDASSA-N 2 0 360.546 3.023 20 0 FGADRP C[C@H]1C[C@H]1c1ccc(C[NH2+]CCCN2CCN(c3cc[nH+]cc3)CC2)o1 ZINC000538398458 504235318 /nfs/dbraw/zinc/23/53/18/504235318.db2.gz NDJKGIYZRJIBGS-FXAWDEMLSA-N 2 0 354.498 3.100 20 0 FGADRP C[C@@H]1CCC[N@H+](Cc2ccc(C[NH2+][C@H](Cc3ccccc3)C(N)=O)cc2)C1 ZINC000541799265 504257985 /nfs/dbraw/zinc/25/79/85/504257985.db2.gz TYRPQQWCWVWMSW-XMSQKQJNSA-N 2 0 365.521 3.105 20 0 FGADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)CCN(C)c1cc[nH+]cc1 ZINC000541855637 504277799 /nfs/dbraw/zinc/27/77/99/504277799.db2.gz LULXFPYPYXAHLB-UHFFFAOYSA-N 2 0 354.498 3.018 20 0 FGADRP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000519797208 504342364 /nfs/dbraw/zinc/34/23/64/504342364.db2.gz RJYPAACCUJLAOM-QWFCFKBJSA-N 2 0 360.546 3.067 20 0 FGADRP CC[NH+](CC)[C@@H](C(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000535147105 504355194 /nfs/dbraw/zinc/35/51/94/504355194.db2.gz IBFLGQPVDBVPLW-LEWJYISDSA-N 2 0 357.542 3.260 20 0 FGADRP CC[NH+](CC)[C@@H](C(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C)c1ccccc1 ZINC000535262918 504386940 /nfs/dbraw/zinc/38/69/40/504386940.db2.gz YPHVEADZGLQHKG-FGZHOGPDSA-N 2 0 367.537 3.359 20 0 FGADRP C[C@H]1CCCC[N@@H+]1CCNC(=O)[C@@H]1CCC[NH+](Cc2cccc(F)c2)C1 ZINC000520093869 504410096 /nfs/dbraw/zinc/41/00/96/504410096.db2.gz FOHGHYPITHCQSR-PKOBYXMFSA-N 2 0 361.505 3.028 20 0 FGADRP C[C@@H](CC[NH+](C)C)NC(=O)NCc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000520114763 504414310 /nfs/dbraw/zinc/41/43/10/504414310.db2.gz HCQFVWKKFKCUGW-OTWHNJEPSA-N 2 0 374.573 3.304 20 0 FGADRP C[C@H](CNC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1)[NH+]1CCCC[C@H]1C ZINC000520178251 504427775 /nfs/dbraw/zinc/42/77/75/504427775.db2.gz WTDLZVWEZHXCTQ-SFHLNBCPSA-N 2 0 357.542 3.278 20 0 FGADRP Cn1ccnc1[C@@H]1CCN(C(=O)[C@@H]2CCCN2Cc2ccc(Cl)cc2)C1 ZINC000528908854 504444942 /nfs/dbraw/zinc/44/49/42/504444942.db2.gz RPEBGLCOHYBPLW-AEFFLSMTSA-N 2 0 372.900 3.054 20 0 FGADRP Cc1ccc([C@@H](CNC(=O)c2ccccc2CC[NH3+])[NH+]2CCCC2)cc1 ZINC000520245917 504445460 /nfs/dbraw/zinc/44/54/60/504445460.db2.gz XXWHWZFYABPVLL-OAQYLSRUSA-N 2 0 351.494 3.063 20 0 FGADRP C[C@H](CCNC(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1)[NH+]1CCCCC1 ZINC000542435838 504489486 /nfs/dbraw/zinc/48/94/86/504489486.db2.gz PGVXHTKMUPTWQO-CTNGQTDRSA-N 2 0 372.557 3.215 20 0 FGADRP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000520402313 504491128 /nfs/dbraw/zinc/49/11/28/504491128.db2.gz KKYAJBNMKUEEMJ-FQEVSTJZSA-N 2 0 366.509 3.166 20 0 FGADRP Cc1ccccc1[C@@H](CN1CCOCC1)NC[C@@H](C)C[NH+]1CCCCC1 ZINC000542478732 504506771 /nfs/dbraw/zinc/50/67/71/504506771.db2.gz OWXHLDUTDAEUMA-DENIHFKCSA-N 2 0 359.558 3.080 20 0 FGADRP C[N@@H+]1CCCN(CCC[NH2+][C@H]2CCCOc3cc(Cl)ccc32)CC1 ZINC000539316638 504528172 /nfs/dbraw/zinc/52/81/72/504528172.db2.gz CHVBQBQYZUEMLV-SFHVURJKSA-N 2 0 351.922 3.171 20 0 FGADRP COCCOc1ccc(C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)cc1OC ZINC000535813280 504553502 /nfs/dbraw/zinc/55/35/02/504553502.db2.gz ZTKUCERLKLUZHV-UHFFFAOYSA-N 2 0 364.530 3.273 20 0 FGADRP CC[C@H]([NH2+]Cc1ccccc1CN1CC[NH+](CC)CC1)C1CCOCC1 ZINC000532193032 504568887 /nfs/dbraw/zinc/56/88/87/504568887.db2.gz HWYYHWBBLHREHE-QFIPXVFZSA-N 2 0 359.558 3.119 20 0 FGADRP CN(CCC[NH+](C)C)C(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000542729943 504589971 /nfs/dbraw/zinc/58/99/71/504589971.db2.gz RLNSDSJFZLPEOY-SFHVURJKSA-N 2 0 366.937 3.070 20 0 FGADRP CC[NH+](CC)Cc1cccc(C[NH2+]C2CCN(c3cnccn3)CC2)c1 ZINC000545896907 504629004 /nfs/dbraw/zinc/62/90/04/504629004.db2.gz YBUAPYWDOUINOP-UHFFFAOYSA-N 2 0 353.514 3.077 20 0 FGADRP CC[NH+](CC)[C@@H](C(=O)N[C@@H](C)CCC[NH3+])c1cccc(C(F)(F)F)c1 ZINC000521042895 504636392 /nfs/dbraw/zinc/63/63/92/504636392.db2.gz XEJIWCXVFYCPRA-XJKSGUPXSA-N 2 0 359.436 3.332 20 0 FGADRP C[C@H](CNC(=O)NCCCCC[NH+]1CCCCC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000521167216 504668358 /nfs/dbraw/zinc/66/83/58/504668358.db2.gz HCOICWPOUIJIML-RTBURBONSA-N 2 0 352.567 3.062 20 0 FGADRP CC(C)[N@H+](C)CC1CCN(C(=O)[C@@H]2CCC[NH+]2Cc2ccccc2)CC1 ZINC000521252972 504694729 /nfs/dbraw/zinc/69/47/29/504694729.db2.gz RQICDEDYGWSHBT-NRFANRHFSA-N 2 0 357.542 3.230 20 0 FGADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2ccc(OC(F)F)c(F)c2)C1 ZINC000539849264 504716329 /nfs/dbraw/zinc/71/63/29/504716329.db2.gz QMYCNIUJNIVJNE-HNNXBMFYSA-N 2 0 360.420 3.360 20 0 FGADRP C[C@@H]1C[NH+](CCC2CC[NH+](Cc3cccc4c3OCCO4)CC2)C[C@@H](C)O1 ZINC000539861312 504720744 /nfs/dbraw/zinc/72/07/44/504720744.db2.gz KAIJTWXIHHXAQT-QZTJIDSGSA-N 2 0 374.525 3.169 20 0 FGADRP CCCn1nc(C)c(C[NH+]2CCC(OCC[NH+](CC)CC)CC2)c1C ZINC000539861706 504721108 /nfs/dbraw/zinc/72/11/08/504721108.db2.gz ITOHAJMNFDIWFY-UHFFFAOYSA-N 2 0 350.551 3.233 20 0 FGADRP CC[NH+](CC)CCCC1CC[NH+](Cc2cnc(N3CCCC3)nc2)CC1 ZINC000543101865 504725928 /nfs/dbraw/zinc/72/59/28/504725928.db2.gz IKTXNCCVOYPZRB-UHFFFAOYSA-N 2 0 359.562 3.411 20 0 FGADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]C[C@@H]2CCC3(CCOCC3)[C@H]2O)CC1 ZINC000549235180 504733842 /nfs/dbraw/zinc/73/38/42/504733842.db2.gz IFMWJOLBWIYELF-ZFMNYDKASA-N 2 0 364.574 3.187 20 0 FGADRP CCCCOCCC[NH2+]Cc1c(Cl)cccc1N1CC[NH+](C)CC1 ZINC000539950192 504746573 /nfs/dbraw/zinc/74/65/73/504746573.db2.gz HDZKISFXDSFAKB-UHFFFAOYSA-N 2 0 353.938 3.388 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)NCC1([NH+](C)C)CCCCC1)c1ccco1 ZINC000521509560 504749833 /nfs/dbraw/zinc/74/98/33/504749833.db2.gz MSUZKWVMQWZTIT-KRWDZBQOSA-N 2 0 364.534 3.226 20 0 FGADRP C[N@@H+]1C[C@@H](NC(=O)c2ccc(C[NH+]3CCCC3)cc2)[C@@H](c2ccccc2)C1 ZINC000549343508 504796350 /nfs/dbraw/zinc/79/63/50/504796350.db2.gz CKTNHMWWZSHBIZ-FGZHOGPDSA-N 2 0 363.505 3.110 20 0 FGADRP C[C@@H]1C[NH+](CCOc2ccc(CC[NH2+][C@@H]3CCOC3(C)C)cc2)C[C@H]1C ZINC000556117409 504799786 /nfs/dbraw/zinc/79/97/86/504799786.db2.gz BKRNXZQDKFJEHR-DBXWQHBBSA-N 2 0 360.542 3.353 20 0 FGADRP CC1CC[NH+](CCCCNC(=O)C[C@H](c2nccn2C)C(F)(F)F)CC1 ZINC000552996914 504800818 /nfs/dbraw/zinc/80/08/18/504800818.db2.gz MNLCANZSORVMLE-OAHLLOKOSA-N 2 0 374.451 3.084 20 0 FGADRP C[NH+](C)CCOc1ccc(C[NH2+]Cc2conc2Cc2ccccc2)cc1 ZINC000565136074 504805777 /nfs/dbraw/zinc/80/57/77/504805777.db2.gz NXVVFAYQCJFVRG-UHFFFAOYSA-N 2 0 365.477 3.496 20 0 FGADRP C[NH+](C)C[C@@H](NC(=O)NCC[N@H+](C)C1CCCC1)c1ccc(Cl)cc1 ZINC000549472087 504831960 /nfs/dbraw/zinc/83/19/60/504831960.db2.gz QGTUWAKIDFKYGB-GOSISDBHSA-N 2 0 366.937 3.116 20 0 FGADRP C[NH+]1CCC([C@H]2CC[N@H+](Cc3ccc(OC[C@@H]4CCCO4)cc3)C2)CC1 ZINC000565356105 504864408 /nfs/dbraw/zinc/86/44/08/504864408.db2.gz TYOJBJWJYZLIDO-UNMCSNQZSA-N 2 0 358.526 3.408 20 0 FGADRP Cc1cc(Sc2ccccc2)ccc1NC(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000565410175 504879543 /nfs/dbraw/zinc/87/95/43/504879543.db2.gz YSMNHLCFSSLBPV-INIZCTEOSA-N 2 0 370.522 3.253 20 0 FGADRP C[C@H](NC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)c1ccccc1Cl ZINC000553335892 504887469 /nfs/dbraw/zinc/88/74/69/504887469.db2.gz YKHIDZGKYVHKRY-INIZCTEOSA-N 2 0 368.953 3.316 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)C[C@H]2C[NH+](Cc3ccccc3)CCCO2)C[C@H]1C ZINC000556497888 504889036 /nfs/dbraw/zinc/88/90/36/504889036.db2.gz QJBHFRYFEJMOPP-HJNYFJLDSA-N 2 0 359.558 3.082 20 0 FGADRP C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000553448646 504917875 /nfs/dbraw/zinc/91/78/75/504917875.db2.gz JADDPRZASXKQJB-ZGXWSNOMSA-N 2 0 364.578 3.013 20 0 FGADRP OC[C@H]1CCC[N@@H+]1CCCC[NH2+][C@H](Cc1ccccc1Cl)C1CC1 ZINC000559767056 504925058 /nfs/dbraw/zinc/92/50/58/504925058.db2.gz NIPVZZPUUVZRIX-UYAOXDASSA-N 2 0 350.934 3.488 20 0 FGADRP CC[C@H]([NH2+][C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)c1ccc(Cl)s1 ZINC000565593131 504931952 /nfs/dbraw/zinc/93/19/52/504931952.db2.gz GSDQKSCCUHGXJO-AHIWAGSCSA-N 2 0 355.935 3.089 20 0 FGADRP Brc1ccc(OCC[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)cc1 ZINC000565599226 504933682 /nfs/dbraw/zinc/93/36/82/504933682.db2.gz SBMOGAKUBSPEJO-HNNXBMFYSA-N 2 0 353.304 3.149 20 0 FGADRP C[NH+]1CCC2(CCCN2C(=O)Nc2cc(C[NH3+])cc(C(F)(F)F)c2)CC1 ZINC000562769343 504939016 /nfs/dbraw/zinc/93/90/16/504939016.db2.gz OLPYKIOKBWMTFR-UHFFFAOYSA-N 2 0 370.419 3.256 20 0 FGADRP CN(CCC[N@H+](C)Cc1ccco1)C(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000553741035 504996502 /nfs/dbraw/zinc/99/65/02/504996502.db2.gz YIPLLOIXESTJOC-UHFFFAOYSA-N 2 0 369.509 3.470 20 0 FGADRP C[C@@H]1CC[C@@H]([NH2+]C[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)[C@H](n2cncn2)C1 ZINC000562962877 505000566 /nfs/dbraw/zinc/00/05/66/505000566.db2.gz XDXIGHFFDMBBKD-YUCXSWCWSA-N 2 0 371.504 3.130 20 0 FGADRP C[C@@H](C[NH2+][C@@H](C)c1ccccc1-n1ccnn1)N1CCc2ccccc2C1 ZINC000556869792 505001194 /nfs/dbraw/zinc/00/11/94/505001194.db2.gz CLLOVIJSPPQXGB-ROUUACIJSA-N 2 0 361.493 3.365 20 0 FGADRP C[C@@H]([NH2+]C[C@H](C)N1CCc2ccccc2C1)c1ccccc1-n1ccnn1 ZINC000556869794 505001276 /nfs/dbraw/zinc/00/12/76/505001276.db2.gz CLLOVIJSPPQXGB-ZWKOTPCHSA-N 2 0 361.493 3.365 20 0 FGADRP CCC[NH+]1CCC(C[NH2+]C[C@@H](O)CO[C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000565887533 505018009 /nfs/dbraw/zinc/01/80/09/505018009.db2.gz UPXRHGUUTMYYEZ-OXJNMPFZSA-N 2 0 368.949 3.490 20 0 FGADRP CCC[NH+]1CCN(c2ccccc2C[N@@H+]2CCC[C@H]2[C@@H]2CCCO2)CC1 ZINC000560265082 505033371 /nfs/dbraw/zinc/03/33/71/505033371.db2.gz DGCKGDCGJUNROJ-VXKWHMMOSA-N 2 0 357.542 3.362 20 0 FGADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)NCc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000563065329 505038413 /nfs/dbraw/zinc/03/84/13/505038413.db2.gz HQBIIXDHRRRSIH-OXJNMPFZSA-N 2 0 351.494 3.029 20 0 FGADRP [NH3+]C[C@H](NC(=O)N1CCc2ccccc2[C@@H]1C[NH3+])c1ccc2ccccc2c1 ZINC000563092025 505045740 /nfs/dbraw/zinc/04/57/40/505045740.db2.gz IHIMDTUOPDFTAT-VXKWHMMOSA-N 2 0 374.488 3.107 20 0 FGADRP CC1CC[NH+](Cc2ccc(CNC(=O)[C@@H]3C[C@@H]4CCCC[C@H]4[NH2+]3)cc2)CC1 ZINC000553954598 505052441 /nfs/dbraw/zinc/05/24/41/505052441.db2.gz WAWCCXQSKSGFGT-BDTNDASRSA-N 2 0 369.553 3.455 20 0 FGADRP [NH3+][C@@H]1CCC[C@@H](CNC(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)C1 ZINC000566056238 505067852 /nfs/dbraw/zinc/06/78/52/505067852.db2.gz CZZKXWIZQXIMKG-RTBURBONSA-N 2 0 358.530 3.354 20 0 FGADRP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1ccccc1CC1CC[NH2+]CC1 ZINC000563199084 505074346 /nfs/dbraw/zinc/07/43/46/505074346.db2.gz RHZRFKBCLAKIBZ-QZTJIDSGSA-N 2 0 357.542 3.079 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)C[C@H]([NH3+])Cc2ccccc2)CC1 ZINC000563207186 505075515 /nfs/dbraw/zinc/07/55/15/505075515.db2.gz WBQXWTRAIBMTCE-DENIHFKCSA-N 2 0 371.569 3.450 20 0 FGADRP COc1ccc(-c2ccccc2)cc1CN1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000566097032 505079695 /nfs/dbraw/zinc/07/96/95/505079695.db2.gz FHZFDLHTCLTCCA-LEWJYISDSA-N 2 0 362.477 3.022 20 0 FGADRP CC(C)(C)[C@@H]1CC[C@H]1[NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000554072039 505081283 /nfs/dbraw/zinc/08/12/83/505081283.db2.gz OZAVCZNIJFFLEW-XUVXKRRUSA-N 2 0 357.542 3.298 20 0 FGADRP [NH3+][C@@H](CC1CCCCC1)C(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000566170686 505103560 /nfs/dbraw/zinc/10/35/60/505103560.db2.gz XQAFFPDYISTHGT-MJGOQNOKSA-N 2 0 363.571 3.374 20 0 FGADRP CCC[C@H](C)C(=O)NCC[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000550830901 505110698 /nfs/dbraw/zinc/11/06/98/505110698.db2.gz LRANWQWCCWORNA-JKLQHZFJSA-N 2 0 371.569 3.429 20 0 FGADRP Cc1ccnc([C@H](C)[NH2+]CCCN2CC[N@H+](C)C[C@H]2c2ccccc2)c1 ZINC000560514160 505110866 /nfs/dbraw/zinc/11/08/66/505110866.db2.gz SMTDRYINHVFMTB-UGKGYDQZSA-N 2 0 352.526 3.419 20 0 FGADRP CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2)CC1 ZINC000566208351 505111834 /nfs/dbraw/zinc/11/18/34/505111834.db2.gz OPPXTJWFZBFFQT-LEWJYISDSA-N 2 0 369.553 3.278 20 0 FGADRP NC(=O)C1(C[NH2+][C@@H]2CCCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CCCC1 ZINC000560524501 505114951 /nfs/dbraw/zinc/11/49/51/505114951.db2.gz DFLANTLPYIIMKQ-PCCBWWKXSA-N 2 0 369.553 3.313 20 0 FGADRP CC1CC[NH+](CCC[C@H]([NH2+]CC(C)(C)C(N)=O)c2ccc(F)cc2)CC1 ZINC000550940475 505127035 /nfs/dbraw/zinc/12/70/35/505127035.db2.gz OOTOJAOJXBLGIO-IBGZPJMESA-N 2 0 363.521 3.480 20 0 FGADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)Nc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000563500421 505158082 /nfs/dbraw/zinc/15/80/82/505158082.db2.gz DPDXAQUQYWBHAP-KKSFZXQISA-N 2 0 364.493 3.289 20 0 FGADRP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)NC2(C)CC[NH2+]CC2)C1 ZINC000563545551 505172594 /nfs/dbraw/zinc/17/25/94/505172594.db2.gz BDKKGZJJWDLXOM-QZTJIDSGSA-N 2 0 372.557 3.106 20 0 FGADRP [NH3+][C@H]1CCC[C@H]([NH2+]CCCOc2ncc(C(F)(F)F)cc2Cl)C1 ZINC000566483721 505187324 /nfs/dbraw/zinc/18/73/24/505187324.db2.gz WKRKSBRLYRTPKA-RYUDHWBXSA-N 2 0 351.800 3.382 20 0 FGADRP Cc1cccc(N2CC[NH+](CCCC[NH2+][C@H](C)[C@]3(C)CCCO3)CC2)c1 ZINC000551266880 505189796 /nfs/dbraw/zinc/18/97/96/505189796.db2.gz HATQIMSIXYZLJL-IRLDBZIGSA-N 2 0 359.558 3.444 20 0 FGADRP CC(C)Cc1ccc([C@@H](CNC(=O)NC[C@@H]2CCC[N@H+](C)C2)[NH+](C)C)cc1 ZINC000554550051 505204728 /nfs/dbraw/zinc/20/47/28/505204728.db2.gz ATFMPNFADVHJFT-PZJWPPBQSA-N 2 0 374.573 3.129 20 0 FGADRP C[NH+](C)C[C@H](NC(=O)Nc1cccc2c1CC[NH2+]C2)c1ccc(Cl)cc1 ZINC000561046629 505237261 /nfs/dbraw/zinc/23/72/61/505237261.db2.gz VNOSJABERMUNIA-IBGZPJMESA-N 2 0 372.900 3.410 20 0 FGADRP CC(=O)N1C[C@@H]2CCC[C@H]([NH2+][C@H](C)[C@@H]3CC[N@H+](Cc4ccccc4)C3)[C@@H]2C1 ZINC000554741828 505254125 /nfs/dbraw/zinc/25/41/25/505254125.db2.gz PHFPGCWDYBMLSX-PHNZBSFLSA-N 2 0 369.553 3.134 20 0 FGADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)NCc1cnc2n1CCCC2 ZINC000551595461 505263674 /nfs/dbraw/zinc/26/36/74/505263674.db2.gz DAOITCVXESFAHP-UHFFFAOYSA-N 2 0 369.513 3.059 20 0 FGADRP C[C@@H](CC[NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1)c1ccccc1 ZINC000566790533 505274013 /nfs/dbraw/zinc/27/40/13/505274013.db2.gz OESJXDJCSWGWNE-SFHVURJKSA-N 2 0 359.558 3.397 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1coc2ccc(F)cc12 ZINC000566857023 505292446 /nfs/dbraw/zinc/29/24/46/505292446.db2.gz NBMZZOYPOGEGFM-INIZCTEOSA-N 2 0 361.461 3.060 20 0 FGADRP CC[NH+]1CCC(C[NH2+][C@H](C)CC(=O)N(C)Cc2ccccc2Cl)CC1 ZINC000558062758 505299220 /nfs/dbraw/zinc/29/92/20/505299220.db2.gz CHQMQBXQGGNMMR-MRXNPFEDSA-N 2 0 365.949 3.399 20 0 FGADRP Cc1cc(C)c(NC(=O)[C@H](C)[NH+]2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)c(C)c1 ZINC000561280510 505302656 /nfs/dbraw/zinc/30/26/56/505302656.db2.gz MAEWIBSZXBKWRR-CUWPLCDZSA-N 2 0 373.541 3.157 20 0 FGADRP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](Cc2cc(-c3ccc(F)cc3)no2)CC1 ZINC000561280733 505302875 /nfs/dbraw/zinc/30/28/75/505302875.db2.gz OQMFWUIBTBGDQC-QUCCMNQESA-N 2 0 359.445 3.199 20 0 FGADRP C[C@@H]1[C@H](NC(=O)NCCC[NH+]2CCCC[C@H]2C)CC[N@@H+]1Cc1ccccc1 ZINC000558380415 505371612 /nfs/dbraw/zinc/37/16/12/505371612.db2.gz QELISQYWVSDDEB-SFHLNBCPSA-N 2 0 372.557 3.213 20 0 FGADRP Cc1ccccc1OC[C@@H](O)C[NH2+]CC1CC[NH+](Cc2cccs2)CC1 ZINC000564321643 505383730 /nfs/dbraw/zinc/38/37/30/505383730.db2.gz OKDBSKPHCVEQOO-IBGZPJMESA-N 2 0 374.550 3.298 20 0 FGADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCCC(=O)Nc2ccccc2C(C)=O)C[C@@H]1C ZINC000564344367 505390264 /nfs/dbraw/zinc/39/02/64/505390264.db2.gz PZKWDFZOAWHYGJ-FUHWJXTLSA-N 2 0 359.514 3.413 20 0 FGADRP C[C@H](OC[C@H](O)C[N@@H+]1CC[C@@H](c2nccn2C)C1)c1ccc(Cl)cc1 ZINC000567246657 505406640 /nfs/dbraw/zinc/40/66/40/505406640.db2.gz QBCFEMCDIAXENQ-YXJHDRRASA-N 2 0 363.889 3.002 20 0 FGADRP C[C@H](OC[C@@H](O)C[N@@H+]1CC[C@@H](c2nccn2C)C1)c1ccc(Cl)cc1 ZINC000567246655 505406825 /nfs/dbraw/zinc/40/68/25/505406825.db2.gz QBCFEMCDIAXENQ-LESCRADOSA-N 2 0 363.889 3.002 20 0 FGADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)N[C@@H](c1ccccc1)C1CCCC1 ZINC000564505076 505436080 /nfs/dbraw/zinc/43/60/80/505436080.db2.gz NLCSJDIXXWBNSH-FQEVSTJZSA-N 2 0 360.546 3.053 20 0 FGADRP C[C@@H]1C[NH+](CCCC[NH2+]Cc2conc2Cc2ccccc2)C[C@@H](C)O1 ZINC000555530028 505447432 /nfs/dbraw/zinc/44/74/32/505447432.db2.gz JSWZCJOOXKIIHS-QZTJIDSGSA-N 2 0 357.498 3.244 20 0 FGADRP C[C@H](c1ccc(NC(=O)CC[N@@H+]2CCCC[C@H]2C)cc1)N1CCOCC1 ZINC000555558096 505456956 /nfs/dbraw/zinc/45/69/56/505456956.db2.gz GEESCFMPFXLBPW-QZTJIDSGSA-N 2 0 359.514 3.283 20 0 FGADRP C[NH+](C)[C@@H](CNC(=O)c1ccccc1CC1CC[NH2+]CC1)c1ccsc1 ZINC000567504653 505483075 /nfs/dbraw/zinc/48/30/75/505483075.db2.gz XLWGZHNAHUYXMV-FQEVSTJZSA-N 2 0 371.550 3.323 20 0 FGADRP CC1(C)C[N@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)[C@H]2CCC[C@@H]21 ZINC000555712744 505497078 /nfs/dbraw/zinc/49/70/78/505497078.db2.gz WTFWFRHWIZGBRV-SFTDATJTSA-N 2 0 369.553 3.409 20 0 FGADRP C[NH+](C)CCCCC(=O)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000562119959 505523341 /nfs/dbraw/zinc/52/33/41/505523341.db2.gz CTRNDSIFFPLHBL-UHFFFAOYSA-N 2 0 357.542 3.233 20 0 FGADRP CC[NH+](CC)CCN(Cc1cccs1)C(=O)c1ccc2c[nH+]cn2c1 ZINC000555852516 505527474 /nfs/dbraw/zinc/52/74/74/505527474.db2.gz ASFWGECZWWEBIA-UHFFFAOYSA-N 2 0 356.495 3.380 20 0 FGADRP Cc1c(F)cccc1NC(=O)CC[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000564848685 505537407 /nfs/dbraw/zinc/53/74/07/505537407.db2.gz FJUXVQJZBHBHLD-UHFFFAOYSA-N 2 0 370.472 3.364 20 0 FGADRP CC[C@@H](C)[NH2+][C@@H](CNC(=O)NCC1([NH+](C)C)CCCCC1)c1ccco1 ZINC000562220932 505543380 /nfs/dbraw/zinc/54/33/80/505543380.db2.gz IPRJZRJMRKWZGM-SJORKVTESA-N 2 0 364.534 3.273 20 0 FGADRP C[NH+]1CCN(C[C@@H]([NH2+][C@H]2Cc3[nH]c4ccccc4c3C2)c2ccccc2)CC1 ZINC000555948606 505546063 /nfs/dbraw/zinc/54/60/63/505546063.db2.gz RBSWWSVHIGYVAT-NTKDMRAZSA-N 2 0 374.532 3.213 20 0 FGADRP C[C@H](NC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1)c1ccc2ccccc2c1 ZINC000564987741 505565770 /nfs/dbraw/zinc/56/57/70/505565770.db2.gz HWXLQXUEUYWYHN-ULAMTYHHSA-N 2 0 365.521 3.465 20 0 FGADRP Cc1ccc([C@H](CNC(=O)NCc2ccc(C[NH3+])cc2)[NH+]2CCCC2)cc1 ZINC000567821706 505566056 /nfs/dbraw/zinc/56/60/56/505566056.db2.gz IKQDMYDUAKRYKQ-NRFANRHFSA-N 2 0 366.509 3.090 20 0 FGADRP C[C@]1([NH3+])CCCC[C@@H]1C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000564993308 505566177 /nfs/dbraw/zinc/56/61/77/505566177.db2.gz SHQJHTKSGAMLOL-FQOCKNPQSA-N 2 0 369.553 3.407 20 0 FGADRP [NH3+]CCC[N@H+](Cc1ccccc1)Cc1ccc(Cl)cc1-n1cncn1 ZINC000567871608 505569526 /nfs/dbraw/zinc/56/95/26/505569526.db2.gz XAGLZBRQUZRFSJ-UHFFFAOYSA-N 2 0 355.873 3.272 20 0 FGADRP C[C@H](Cc1ccc(F)cc1Br)[NH2+]CCCC[NH+]1CCOCC1 ZINC000582808805 506430943 /nfs/dbraw/zinc/43/09/43/506430943.db2.gz VCAYBQVUXPDZDP-CQSZACIVSA-N 2 0 373.310 3.221 20 0 FGADRP Cc1ccc(-c2n[nH]cc2C[NH+]2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)cc1 ZINC000582833052 506446227 /nfs/dbraw/zinc/44/62/27/506446227.db2.gz FYXXXJUGSNZZFG-PMACEKPBSA-N 2 0 354.498 3.103 20 0 FGADRP CC[C@@H](C)[N@H+](C)CCNC(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000589208511 506485260 /nfs/dbraw/zinc/48/52/60/506485260.db2.gz AQNXATKEUJAHMY-LJQANCHMSA-N 2 0 374.573 3.448 20 0 FGADRP CC[C@@H](C)[N@H+](C)CCNC(=O)NC[C@@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC000589217235 506488918 /nfs/dbraw/zinc/48/89/18/506488918.db2.gz DTADQHCYEUZDIX-QUCCMNQESA-N 2 0 360.546 3.161 20 0 FGADRP C[C@H]([NH2+]C1(CNC(=O)N[C@@H]2CCC[N@H+](C)C2)CCCC1)c1ccccc1 ZINC000603593729 506568965 /nfs/dbraw/zinc/56/89/65/506568965.db2.gz XQNYUYYADBNWNN-PKOBYXMFSA-N 2 0 358.530 3.043 20 0 FGADRP CC(C)[NH2+][C@@H]1CCCN(C(=O)NCC(C)(C)[NH2+][C@H](C)c2ccccc2)C1 ZINC000603610637 506577393 /nfs/dbraw/zinc/57/73/93/506577393.db2.gz XINRGAGTPFCVAE-IEBWSBKVSA-N 2 0 360.546 3.288 20 0 FGADRP O=C(C[NH+]1C2CCCC1CCC2)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000608498966 506587864 /nfs/dbraw/zinc/58/78/64/506587864.db2.gz MQMCCJZEDPAPDZ-UHFFFAOYSA-N 2 0 355.526 3.306 20 0 FGADRP Cc1ccccc1C[N@H+]1CCCN(C(=O)N[C@H](C)C[NH+]2CCCCC2)CC1 ZINC000612593426 506642500 /nfs/dbraw/zinc/64/25/00/506642500.db2.gz HUXBPXSKSUECDY-HXUWFJFHSA-N 2 0 372.557 3.087 20 0 FGADRP C[NH+](C)CCOc1ccc(NC(=O)[C@H]2C[NH2+]Cc3ccccc32)cc1Cl ZINC000583260962 506682789 /nfs/dbraw/zinc/68/27/89/506682789.db2.gz CZNQJPQJSCMVFI-KRWDZBQOSA-N 2 0 373.884 3.106 20 0 FGADRP CCN(CC(=O)Nc1ccc(OC)cc1)Cc1ccc(C[NH+](C)C)cc1 ZINC000589999397 506701181 /nfs/dbraw/zinc/70/11/81/506701181.db2.gz FYHOTKKPTPJUQT-UHFFFAOYSA-N 2 0 355.482 3.217 20 0 FGADRP CC[NH+](CC)Cc1cccc(CNC(=O)NCC2CC[NH+](CC)CC2)c1 ZINC000583334561 506724226 /nfs/dbraw/zinc/72/42/26/506724226.db2.gz ZTSTYLDUGRPHRH-UHFFFAOYSA-N 2 0 360.546 3.060 20 0 FGADRP CC(C)[NH+]1CCC(NC(=O)N[C@H](C[NH+]2CCCCC2)c2ccccc2)CC1 ZINC000604157870 506729572 /nfs/dbraw/zinc/72/95/72/506729572.db2.gz PYWKRLIYIMGPMK-OAQYLSRUSA-N 2 0 372.557 3.386 20 0 FGADRP C[C@@H](NC(=O)C[NH+]1CCC(C[NH+](C)C)CC1)c1cccc2ccccc21 ZINC000590125951 506744305 /nfs/dbraw/zinc/74/43/05/506744305.db2.gz XQTWKVUFJNRULG-QGZVFWFLSA-N 2 0 353.510 3.291 20 0 FGADRP O=C(N[C@@H](C[NH+]1CCCCC1)c1ccccc1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000604202209 506750158 /nfs/dbraw/zinc/75/01/58/506750158.db2.gz STQOAKPNOPWYKE-RTWAWAEBSA-N 2 0 370.541 3.093 20 0 FGADRP CC(C)[N@@H+]1CCCN(C(=O)[C@@H](C)[NH+]2CCC(Cc3ccccc3)CC2)CC1 ZINC000600118608 506785837 /nfs/dbraw/zinc/78/58/37/506785837.db2.gz PQYABLBOLHDMTF-HXUWFJFHSA-N 2 0 371.569 3.272 20 0 FGADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CC[C@H](C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000600197594 506837897 /nfs/dbraw/zinc/83/78/97/506837897.db2.gz SABUGFIMPWVXFZ-KXBFYZLASA-N 2 0 370.497 3.375 20 0 FGADRP O=C(NCc1cccc(C[NH+]2CCCC2)c1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000594093237 506935939 /nfs/dbraw/zinc/93/59/39/506935939.db2.gz JEWRNDYEZHVNLD-OAQYLSRUSA-N 2 0 370.541 3.052 20 0 FGADRP C[NH+](C)CC[C@@H](NC(=O)NC[C@H](C1CCCCC1)[NH+](C)C)C(C)(C)C ZINC000604784366 506941606 /nfs/dbraw/zinc/94/16/06/506941606.db2.gz ZYGKQMNHZXLBKF-QZTJIDSGSA-N 2 0 354.583 3.163 20 0 FGADRP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000604815942 506953560 /nfs/dbraw/zinc/95/35/60/506953560.db2.gz BOACZZVPXSMVRJ-XDNAFOTISA-N 2 0 354.583 3.018 20 0 FGADRP Cc1ccc(C)c(OC[C@@H](O)C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)c1C ZINC000590786945 506957234 /nfs/dbraw/zinc/95/72/34/506957234.db2.gz ZGRCTOXXJADFJL-NRFANRHFSA-N 2 0 362.558 3.404 20 0 FGADRP C[N@@H+]1CCCC12CCN(C(=O)[C@H]1CCC[NH+](CCc3ccccc3)C1)CC2 ZINC000613232254 506984459 /nfs/dbraw/zinc/98/44/59/506984459.db2.gz PJZTTXZEYCMSCN-NRFANRHFSA-N 2 0 369.553 3.028 20 0 FGADRP CN1CC[NH+](CC2CC[NH+](Cc3cccc(-c4ccncc4)c3)CC2)CC1 ZINC000583962556 507071791 /nfs/dbraw/zinc/07/17/91/507071791.db2.gz XPUICGSEIRUNMR-UHFFFAOYSA-N 2 0 364.537 3.208 20 0 FGADRP CCOC(=O)C1([C@H](C)[NH2+]CC2(C(F)(F)F)CCCC2)CC[NH2+]CC1 ZINC000600710641 507076505 /nfs/dbraw/zinc/07/65/05/507076505.db2.gz PUSRPKOWBHFSAF-ZDUSSCGKSA-N 2 0 350.425 3.020 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cc2cc(F)ccc2o1 ZINC000605125308 507084858 /nfs/dbraw/zinc/08/48/58/507084858.db2.gz NBFFYXZWHPIHKV-KRWDZBQOSA-N 2 0 361.461 3.060 20 0 FGADRP COc1ccc([C@H](C)[C@@H](C)[NH2+]Cc2ccncc2OCC[NH+](C)C)cc1 ZINC000584136826 507171236 /nfs/dbraw/zinc/17/12/36/507171236.db2.gz RJTOIDNDKJOQJF-IAGOWNOFSA-N 2 0 357.498 3.312 20 0 FGADRP CC1CC[NH+](CCCCNC(=O)c2ccc(Nc3cc[nH+]cc3)cc2)CC1 ZINC000605404287 507179523 /nfs/dbraw/zinc/17/95/23/507179523.db2.gz QSFADQWTXOBUMI-UHFFFAOYSA-N 2 0 366.509 3.489 20 0 FGADRP CCC[NH+]1CCC(CNC(=O)c2ccc(Nc3cc[nH+]cc3)cc2)CC1 ZINC000605426696 507189920 /nfs/dbraw/zinc/18/99/20/507189920.db2.gz KDOQJOICDHTXBJ-UHFFFAOYSA-N 2 0 352.482 3.099 20 0 FGADRP CC[NH+](CC)Cc1cccc(C[NH2+][C@@H]2CCN(c3ccccc3)C2=O)c1 ZINC000598032679 507227517 /nfs/dbraw/zinc/22/75/17/507227517.db2.gz PTPJFPSUJQLRFU-OAQYLSRUSA-N 2 0 351.494 3.424 20 0 FGADRP C[C@@H](NC(=O)[C@@H](C)[NH+]1CCC(Cc2ccccc2)CC1)C1CC[NH+](C)CC1 ZINC000601045988 507241039 /nfs/dbraw/zinc/24/10/39/507241039.db2.gz ZAHJGPSWJLOCOA-RTBURBONSA-N 2 0 371.569 3.176 20 0 FGADRP COC(=O)COc1c(C)cc(C[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)cc1C ZINC000594734838 507260425 /nfs/dbraw/zinc/26/04/25/507260425.db2.gz FSVSEEZMNLNTSO-HXUWFJFHSA-N 2 0 374.525 3.067 20 0 FGADRP CC[NH+](CC)[C@H](C)CNC(=O)N1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000591557576 507289350 /nfs/dbraw/zinc/28/93/50/507289350.db2.gz KDYGGHXGYFCQPP-GOSISDBHSA-N 2 0 360.546 3.023 20 0 FGADRP C[C@@H](CNC(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1)[N@H+](C)C1CC1 ZINC000591554112 507290179 /nfs/dbraw/zinc/29/01/79/507290179.db2.gz PITHKYITDSOJFQ-SFHVURJKSA-N 2 0 372.557 3.200 20 0 FGADRP C[C@H]([NH2+][C@@H]1CC12CC[NH2+]CC2)c1ccc(F)c(I)c1 ZINC000591579951 507301583 /nfs/dbraw/zinc/30/15/83/507301583.db2.gz AXRDUHPZAWQCCI-IINYFYTJSA-N 2 0 374.241 3.223 20 0 FGADRP CCCC[N@H+](C)CC1CCN(C(=O)NCC[NH+]2CCCC[C@H]2CC)CC1 ZINC000605988038 507320159 /nfs/dbraw/zinc/32/01/59/507320159.db2.gz JYKIADXACFPJSY-HXUWFJFHSA-N 2 0 366.594 3.404 20 0 FGADRP CC(C)[NH2+][C@H]1CCCN(C(=O)NCC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000601282281 507322071 /nfs/dbraw/zinc/32/20/71/507322071.db2.gz OEQIIRGBUYFXND-NRFANRHFSA-N 2 0 372.557 3.071 20 0 FGADRP COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000594942415 507324063 /nfs/dbraw/zinc/32/40/63/507324063.db2.gz IBUAVTMHCWFNFX-IRZCZHAHSA-N 2 0 356.510 3.074 20 0 FGADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCC(=O)Nc2cc(Cl)ccc2OC)C[C@@H]1C ZINC000584440385 507343829 /nfs/dbraw/zinc/34/38/29/507343829.db2.gz QCCVILLSPVPHSN-GOEBONIOSA-N 2 0 367.921 3.482 20 0 FGADRP C[N@@H+]1CCC[C@H](C[NH2+][C@H]2CCc3ccc(I)cc32)C1 ZINC000595015366 507355959 /nfs/dbraw/zinc/35/59/59/507355959.db2.gz CQTTUJQKKRONGT-WBMJQRKESA-N 2 0 370.278 3.210 20 0 FGADRP COC(=O)c1coc([C@H](C)[NH2+]CC2CC[NH+](Cc3ccncc3)CC2)c1 ZINC000595070493 507377526 /nfs/dbraw/zinc/37/75/26/507377526.db2.gz VICWXENMXWXJSJ-HNNXBMFYSA-N 2 0 357.454 3.024 20 0 FGADRP CC[C@@H]([NH2+]CC1CC[NH+](Cc2ccncc2)CC1)C1(C(=O)OC)CCC1 ZINC000595069602 507378587 /nfs/dbraw/zinc/37/85/87/507378587.db2.gz ZMFABRFEDGQZNK-LJQANCHMSA-N 2 0 359.514 3.005 20 0 FGADRP [NH3+][C@@H]1C[C@H]([NH2+][C@H]2CCc3nnc(-c4ccc(F)cc4)n3C2)c2ccccc21 ZINC000584523947 507392871 /nfs/dbraw/zinc/39/28/71/507392871.db2.gz PGJPUVSTEVJYRF-IPELMVKDSA-N 2 0 363.440 3.133 20 0 FGADRP COC(=O)COc1ccccc1[C@@H](C)[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000595103667 507393371 /nfs/dbraw/zinc/39/33/71/507393371.db2.gz NXAVFXMSOXDXKU-MRXNPFEDSA-N 2 0 360.498 3.011 20 0 FGADRP Clc1ccccc1C[NH+]1CCC(C[NH2+]C[C@H]2CNc3ccnn3C2)CC1 ZINC000595147551 507409797 /nfs/dbraw/zinc/40/97/97/507409797.db2.gz VELXQKCJBLPVMC-KRWDZBQOSA-N 2 0 373.932 3.080 20 0 FGADRP O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)Nc1ccc2nccn2c1 ZINC000606580741 507450407 /nfs/dbraw/zinc/45/04/07/507450407.db2.gz CDFDTMSUYKYRMD-INIZCTEOSA-N 2 0 353.426 3.276 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N1CC[N@H+](C)C[C@H]1C(C)C)c1ccsc1 ZINC000606637833 507462228 /nfs/dbraw/zinc/46/22/28/507462228.db2.gz HJFJUTLSPIJWBY-MSOLQXFVSA-N 2 0 366.575 3.113 20 0 FGADRP Cc1cc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)ccc1I ZINC000592470800 507670078 /nfs/dbraw/zinc/67/00/78/507670078.db2.gz IMPYZOHEVUWYHF-RRFJBIMHSA-N 2 0 370.278 3.077 20 0 FGADRP COC(=O)c1cc2cc(C[N@@H+]3CCC[C@H]([C@H]4CCC[NH2+]C4)C3)ccc2o1 ZINC000592491900 507677952 /nfs/dbraw/zinc/67/79/52/507677952.db2.gz PYOHSSSBLYLILH-IRXDYDNUSA-N 2 0 356.466 3.431 20 0 FGADRP COC(=O)c1cccc(C[N@@H+]2CC[C@@H]3C[C@@H]3C2)c1C[NH+]1CC[C@H]2C[C@H]2C1 ZINC000595810975 507696894 /nfs/dbraw/zinc/69/68/94/507696894.db2.gz QSPSWEPDPOCOJV-JFRXWTBNSA-N 2 0 354.494 3.157 20 0 FGADRP C[N@H+](C[C@@H](O)Cn1c2ccccc2c2ccccc21)C[C@H]1CCC[NH+](C)C1 ZINC000607358490 507698650 /nfs/dbraw/zinc/69/86/50/507698650.db2.gz NLKBPERSSBANLM-RBUKOAKNSA-N 2 0 365.521 3.429 20 0 FGADRP Cc1ccc(NC(=O)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)cc1C ZINC000623068488 568130389 /nfs/dbraw/zinc/13/03/89/568130389.db2.gz BAKAEWHQUFUCMO-UHFFFAOYSA-N 2 0 366.509 3.418 20 0 FGADRP Cc1ccc(NC(=O)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)s1 ZINC000623068719 568137212 /nfs/dbraw/zinc/13/72/12/568137212.db2.gz IMTQQUQNCZDTRX-UHFFFAOYSA-N 2 0 358.511 3.172 20 0 FGADRP C[C@H]1CCCC[N@@H+]1CCC[NH2+][C@@H]1CCCc2cc(-c3nn[nH]n3)ccc21 ZINC000824936013 608496830 /nfs/dbraw/zinc/49/68/30/608496830.db2.gz DMHRKGMDXZNHSU-HNAYVOBHSA-N 2 0 354.502 3.098 20 0 FGADRP C[C@@H]([NH2+]CCCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824875215 609328326 /nfs/dbraw/zinc/32/83/26/609328326.db2.gz JRXLYMKLUDXVGM-OWCLPIDISA-N 2 0 374.508 3.415 20 0 FGADRP C[C@H]([NH2+]C1CCC([NH+]2CCCCC2)CC1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824536969 609337984 /nfs/dbraw/zinc/33/79/84/609337984.db2.gz BJKNIDVEFXZMHH-OOHWJJMZSA-N 2 0 372.492 3.454 20 0 FGADRP CCC[NH+]1CCC([NH2+][C@@H](C)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000105783245 700504910 /nfs/dbraw/zinc/50/49/10/700504910.db2.gz PCJYXQHGFPASPF-IRXDYDNUSA-N 2 0 353.551 3.486 20 0 FGADRP C[NH+]1CCC(CC[NH2+][C@@H]2CCCC[C@@H]2CNC(=O)OC(C)(C)C)CC1 ZINC000180455374 705741022 /nfs/dbraw/zinc/74/10/22/705741022.db2.gz XKGYQINFNWHKSH-QZTJIDSGSA-N 2 0 353.551 3.391 20 0 FGADRP Oc1ccc(Cl)cc1C[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000180796996 705757832 /nfs/dbraw/zinc/75/78/32/705757832.db2.gz HTUNUWOBIKPQLR-UHFFFAOYSA-N 2 0 352.906 3.370 20 0 FGADRP C[C@@H](C[NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)CC1)C[NH+]1CCCCC1 ZINC000182723629 705858265 /nfs/dbraw/zinc/85/82/65/705858265.db2.gz DKWGYIAMXCFBKL-ZWKOTPCHSA-N 2 0 353.551 3.488 20 0 FGADRP C[NH+]1CCN(CCC(C)(C)[NH2+]Cc2ccc(CSC(F)F)o2)CC1 ZINC000185896223 712704361 /nfs/dbraw/zinc/70/43/61/712704361.db2.gz NPDBLEHEKFBEGT-UHFFFAOYSA-N 2 0 361.502 3.241 20 0 FGADRP C[NH+](C)CC1(C[NH2+]C[C@@]2(C)CCN(C(=O)OC(C)(C)C)C2)CCCC1 ZINC000195223862 713550014 /nfs/dbraw/zinc/55/00/14/713550014.db2.gz AXKSUSHRBZIRKQ-LJQANCHMSA-N 2 0 353.551 3.345 20 0 FGADRP CC[NH2+]CC1CC[NH+](Cc2cc(Br)cc3c2OCC3)CC1 ZINC000228484873 713574706 /nfs/dbraw/zinc/57/47/06/713574706.db2.gz HZHPWVQWOJPTTE-UHFFFAOYSA-N 2 0 353.304 3.206 20 0 FGADRP COc1ccc([C@H](C)[NH2+][C@@H](C)[C@H](CO)SC)cc1C[NH+]1CCCCC1 ZINC000246012949 713615348 /nfs/dbraw/zinc/61/53/48/713615348.db2.gz ILEQNMMQBNETII-FTRWYGJKSA-N 2 0 366.571 3.444 20 0 FGADRP CCC[N@H+](C)C[C@@H]1CC[NH+](C[C@@]2(C)CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000248669249 713655835 /nfs/dbraw/zinc/65/58/35/713655835.db2.gz RGPBJNZLVJFRFH-FXAWDEMLSA-N 2 0 353.551 3.297 20 0 FGADRP CC(C)(C)OC(=O)N1CC[C@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)C(C)(C)C1 ZINC000310677745 713800374 /nfs/dbraw/zinc/80/03/74/713800374.db2.gz QBLZSYQTZLBWFL-ULQDDVLXSA-N 2 0 351.535 3.238 20 0 FGADRP Cc1cc(Br)ccc1[C@@H](C)[NH2+]CCCN1CC[NH+](C)CC1 ZINC000641773246 717928737 /nfs/dbraw/zinc/92/87/37/717928737.db2.gz XCSGPLSCOBVKHL-OAHLLOKOSA-N 2 0 354.336 3.046 20 0 FGADRP CC(C)[N@@H+]1CCc2nc(CN(C)CC[C@@H]3CCCC[NH+]3C)sc2C1 ZINC000374958228 713956317 /nfs/dbraw/zinc/95/63/17/713956317.db2.gz ZSVJJVGKYFEHBJ-INIZCTEOSA-N 2 0 350.576 3.216 20 0 FGADRP C[C@H]([NH2+][C@H]1CCC[C@H]([NH3+])C1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000423363792 714013968 /nfs/dbraw/zinc/01/39/68/714013968.db2.gz AKVWDXOGNQOBIP-XIRDDKMYSA-N 2 0 350.528 3.323 20 0 FGADRP C[N@@H+]1CCN(CC[NH2+][C@H]2CCSc3c(Cl)cccc32)CC1(C)C ZINC000442878678 714030773 /nfs/dbraw/zinc/03/07/73/714030773.db2.gz UJRLIUXJQFFYMM-INIZCTEOSA-N 2 0 353.963 3.493 20 0 FGADRP C[C@@H](O)C[C@H]1CCCC[N@@H+]1CCCCC[NH+]1CCCC[C@H]1C[C@H](C)O ZINC000447837466 714037050 /nfs/dbraw/zinc/03/70/50/714037050.db2.gz UYTUDAPNYVDPHZ-FXELSEDVSA-N 2 0 354.579 3.408 20 0 FGADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@H]1CCSc2c(Cl)cccc21 ZINC000471598836 714081172 /nfs/dbraw/zinc/08/11/72/714081172.db2.gz MFWBHHINFJJUON-PBHICJAKSA-N 2 0 353.963 3.493 20 0 FGADRP CC[NH+](CC)C[C@@H](C)NC(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000502592724 714112663 /nfs/dbraw/zinc/11/26/63/714112663.db2.gz QTFWTXBTWWWXKD-LMDPOFIKSA-N 2 0 352.567 3.059 20 0 FGADRP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCC[NH+]2CCCC[C@H]2C)C1 ZINC000524263706 714275862 /nfs/dbraw/zinc/27/58/62/714275862.db2.gz UWWRKDJDMOOWKD-MSOLQXFVSA-N 2 0 352.567 3.061 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)NC[C@H](C)C[NH+]1CCCC1)c1ccsc1 ZINC000616074329 714567068 /nfs/dbraw/zinc/56/70/68/714567068.db2.gz RYUYRJMFNNDUGK-WMZOPIPTSA-N 2 0 366.575 3.162 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)NC[C@@H](C)C[NH+]1CCCC1)c1ccsc1 ZINC000616074325 714567184 /nfs/dbraw/zinc/56/71/84/714567184.db2.gz RYUYRJMFNNDUGK-AEFFLSMTSA-N 2 0 366.575 3.162 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)CC(C)C ZINC000643216186 718019640 /nfs/dbraw/zinc/01/96/40/718019640.db2.gz WIOFTHGCYIYIQM-KRWDZBQOSA-N 2 0 354.583 3.351 20 0 FGADRP Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)c(-n2cc(Cl)cn2)n1 ZINC000643483697 718036201 /nfs/dbraw/zinc/03/62/01/718036201.db2.gz CNHJFNSFPWHVSU-FGTMMUONSA-N 2 0 359.905 3.239 20 0 FGADRP Brc1ccc([C@H]([NH2+][C@H]2CCC[NH2+]CC2)[C@H]2CCCO2)cc1 ZINC000643523195 718037549 /nfs/dbraw/zinc/03/75/49/718037549.db2.gz XLEYIGFAXKKTHP-BBWFWOEESA-N 2 0 353.304 3.401 20 0 FGADRP C[N@@H+]1CC[C@@H](N[C@@H](CCO)c2ccccc2Br)CC1(C)C ZINC000623488154 715346562 /nfs/dbraw/zinc/34/65/62/715346562.db2.gz JVGHGRZQOZDABX-CJNGLKHVSA-N 2 0 355.320 3.335 20 0 FGADRP C[N@@H+]1CC[C@H]([NH2+]C[C@H](CO)Cc2cccc(Br)c2)CC1(C)C ZINC000623507478 715350549 /nfs/dbraw/zinc/35/05/49/715350549.db2.gz MCRGLSRDUPPHBQ-WBVHZDCISA-N 2 0 369.347 3.063 20 0 FGADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2c[nH]nc2-c2ccc(Br)s2)C1 ZINC000623560457 715361559 /nfs/dbraw/zinc/36/15/59/715361559.db2.gz GMMUWRLCWYUYSN-KLPPZKSPSA-N 2 0 369.332 3.331 20 0 FGADRP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CN(c3ccc(Cl)cc3)CCO2)[C@@H]2CCC[C@@H]21 ZINC000624119908 715476718 /nfs/dbraw/zinc/47/67/18/715476718.db2.gz MDPCWBKNHQTFMF-FYQPLNBISA-N 2 0 363.933 3.008 20 0 FGADRP C[C@@H]1CC(F)(F)CCN1CC1(C[N@@H+]2CCC(F)(F)C[C@H]2C)COC1 ZINC000625980210 715820649 /nfs/dbraw/zinc/82/06/49/715820649.db2.gz JBGIIYLUNFIFBE-ZIAGYGMSSA-N 2 0 352.416 3.242 20 0 FGADRP [NH3+]CCCOCC[NH2+][C@H](c1ccccc1)c1ccc(Br)cc1 ZINC000629538158 716304563 /nfs/dbraw/zinc/30/45/63/716304563.db2.gz MQDCNGNUHILXMO-GOSISDBHSA-N 2 0 363.299 3.494 20 0 FGADRP C[C@@H]1C[C@H](c2ccc(Br)cc2)C[N@@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000629581891 716311794 /nfs/dbraw/zinc/31/17/94/716311794.db2.gz JCERFUHWUOYLOA-UKPHBRMFSA-N 2 0 365.315 3.148 20 0 FGADRP C[C@@H]1C[C@@H](c2ccc(Br)cc2)C[N@@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000629581889 716311884 /nfs/dbraw/zinc/31/18/84/716311884.db2.gz JCERFUHWUOYLOA-FRFSOERESA-N 2 0 365.315 3.148 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC2([C@@H]3CCCCO3)CCC2)[C@H](C)C1 ZINC000631732067 716669823 /nfs/dbraw/zinc/66/98/23/716669823.db2.gz VNABYXDPGZFTEE-AABGKKOBSA-N 2 0 352.563 3.452 20 0 FGADRP CC(C)(O)C[NH+]1CCC([NH2+]CCCCOc2ccc(Cl)cc2)CC1 ZINC000638440747 717447367 /nfs/dbraw/zinc/44/73/67/717447367.db2.gz PUVSQRHEEKEDCV-UHFFFAOYSA-N 2 0 354.922 3.324 20 0 FGADRP Cn1cc(CC[NH2+]C2CC[NH+](CC(C)(C)O)CC2)c2ccc(Cl)cc21 ZINC000639084166 717513592 /nfs/dbraw/zinc/51/35/92/717513592.db2.gz KNYRRGYYSSMAMV-UHFFFAOYSA-N 2 0 363.933 3.199 20 0 FGADRP C[NH+](C)C1(CNC(=O)Nc2ccc(SCC[NH+]3CCCC3)cc2)CC1 ZINC000640319889 717722827 /nfs/dbraw/zinc/72/28/27/717722827.db2.gz YFYLGLSFHVBSOJ-UHFFFAOYSA-N 2 0 362.543 3.090 20 0 FGADRP O=C(CCC1CC[NH2+]CC1)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000645157633 718187772 /nfs/dbraw/zinc/18/77/72/718187772.db2.gz SUHVKYBCSVXKJZ-IBGZPJMESA-N 2 0 363.933 3.373 20 0 FGADRP C[C@@H](C[NH2+]CC(=O)NCC[NH+]1CCCCCC1)c1cccc(Cl)c1 ZINC000646215197 718271112 /nfs/dbraw/zinc/27/11/12/718271112.db2.gz LBCSAWNDAPCPKD-INIZCTEOSA-N 2 0 351.922 3.025 20 0 FGADRP c1csc(-c2noc(CCC[N@@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]C4)C3)n2)c1 ZINC000647975655 718391072 /nfs/dbraw/zinc/39/10/72/718391072.db2.gz DDAIPNQFAKMEQP-HZPDHXFCSA-N 2 0 360.527 3.442 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1cc2cc(Cl)cnc2o1 ZINC000648585392 718438139 /nfs/dbraw/zinc/43/81/39/718438139.db2.gz VEJKMCVVYQPSSB-KRWDZBQOSA-N 2 0 364.921 3.329 20 0 FGADRP FCC1(C[NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)CCOCC1 ZINC000648735751 718447419 /nfs/dbraw/zinc/44/74/19/718447419.db2.gz KQHYDIJBNWDBTQ-UHFFFAOYSA-N 2 0 350.478 3.017 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)[C@H]([NH3+])c2cccc(Cl)c2)C1 ZINC000649295530 718502324 /nfs/dbraw/zinc/50/23/24/718502324.db2.gz UIUGGZAMVHCXSE-RVKKMQEKSA-N 2 0 351.922 3.214 20 0 FGADRP CCC[N@@H+]1CC[C@@H](CNC(=O)NCCC[NH+](CC)C2CCCCC2)C1 ZINC000650005812 718601924 /nfs/dbraw/zinc/60/19/24/718601924.db2.gz KMWXNCBOPACLEI-SFHVURJKSA-N 2 0 352.567 3.062 20 0 FGADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@H+](Cc3sccc3Br)C2)C1 ZINC000650707683 718717351 /nfs/dbraw/zinc/71/73/51/718717351.db2.gz KSUCRHQELMKLDU-YRGRVCCFSA-N 2 0 359.333 3.229 20 0 FGADRP [NH3+]CC1(CC[NH2+][C@H](c2ccc(Br)cc2)[C@@H]2CCCO2)CC1 ZINC000650747113 718723659 /nfs/dbraw/zinc/72/36/59/718723659.db2.gz RYCYYFBFFXELCM-JKSUJKDBSA-N 2 0 353.304 3.388 20 0 FGADRP CC[N@H+](CCCNC(=O)NC[C@H]1CCC[NH+](CC)C1)C1CCCCC1 ZINC000650846813 718734757 /nfs/dbraw/zinc/73/47/57/718734757.db2.gz BJFXDMYKFAPXLG-GOSISDBHSA-N 2 0 352.567 3.062 20 0 FGADRP CC[C@H]([NH2+]CCC1CC[NH+](C)CC1)c1cc(OC)c(OC)c(OC)c1 ZINC000652149805 718917323 /nfs/dbraw/zinc/91/73/23/718917323.db2.gz BEUAQSYFRRGZQJ-KRWDZBQOSA-N 2 0 350.503 3.485 20 0 FGADRP C[C@@H]1CCC[N@H+](CCC(=O)Nc2cccc(Br)c2)[C@H]1CC[NH3+] ZINC000652354560 718936388 /nfs/dbraw/zinc/93/63/88/718936388.db2.gz BWFBYYMCPKPJGG-CJNGLKHVSA-N 2 0 368.319 3.227 20 0 FGADRP C[C@H]1CCC[N@H+](CCC(=O)Nc2cccc(Br)c2)[C@H]1CC[NH3+] ZINC000652354559 718936458 /nfs/dbraw/zinc/93/64/58/718936458.db2.gz BWFBYYMCPKPJGG-BBRMVZONSA-N 2 0 368.319 3.227 20 0 FGADRP CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C[NH+]1CCC(CC[NH3+])CC1 ZINC000652359492 718936878 /nfs/dbraw/zinc/93/68/78/718936878.db2.gz ITUWYYXYQZTHBL-UHFFFAOYSA-N 2 0 358.313 3.013 20 0 FGADRP CN(CC[NH+]1CCCCC1)C(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000652611684 718965862 /nfs/dbraw/zinc/96/58/62/718965862.db2.gz SGKWKNATHBKLRR-UHFFFAOYSA-N 2 0 358.408 3.114 20 0 FGADRP C[C@@]1(C[NH3+])CCN(C(=O)Nc2ccc(SCC[NH+]3CCCC3)cc2)C1 ZINC000652614117 718966424 /nfs/dbraw/zinc/96/64/24/718966424.db2.gz OKCTUIUCUYUORX-IBGZPJMESA-N 2 0 362.543 3.077 20 0 FGADRP Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)[C@@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000653114531 719013712 /nfs/dbraw/zinc/01/37/12/719013712.db2.gz LUQOHWODIDPBGN-MOPGFXCFSA-N 2 0 359.539 3.013 20 0 FGADRP O=C(NCC1CC[NH+](Cc2ccccc2Cl)CC1)[C@@H]1CCC[NH2+]CC1 ZINC000653117733 719013858 /nfs/dbraw/zinc/01/38/58/719013858.db2.gz URXZTDLBBIVRFU-QGZVFWFLSA-N 2 0 363.933 3.058 20 0 FGADRP Cc1cc(OC[C@H](O)C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)c(C(C)C)cc1Cl ZINC000656153066 719365991 /nfs/dbraw/zinc/36/59/91/719365991.db2.gz NEFNYFSLPGSIFK-IXDOHACOSA-N 2 0 368.949 3.441 20 0 FGADRP c1ccc2c(c1)CCSC[C@@H]2[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000658068760 719750943 /nfs/dbraw/zinc/75/09/43/719750943.db2.gz ZDZWYTJCULTXDK-NRFANRHFSA-N 2 0 360.567 3.498 20 0 FGADRP c1ccc2c(CC[NH+]3CCC(CC[NH+]4CCOCC4)CC3)nsc2c1 ZINC000659861614 719946761 /nfs/dbraw/zinc/94/67/61/719946761.db2.gz YGOVAJNTMCTKAF-UHFFFAOYSA-N 2 0 359.539 3.273 20 0 FGADRP Brc1ccc([C@@H]2CCC[N@@H+]2C[C@H]2CCC3(C[NH2+]C3)O2)s1 ZINC000662281734 720409330 /nfs/dbraw/zinc/40/93/30/720409330.db2.gz ZTQRLDIOLPALAA-NEPJUHHUSA-N 2 0 357.317 3.169 20 0 FGADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@H+](Cc3cc(F)ccc3OC(F)F)C2)C1 ZINC000662286857 720410097 /nfs/dbraw/zinc/41/00/97/720410097.db2.gz STDNGKOQSSZBKY-MJEQTWJJSA-N 2 0 358.404 3.145 20 0 FGADRP CSc1ccccc1NC(=O)CC[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662294648 720410894 /nfs/dbraw/zinc/41/08/94/720410894.db2.gz DHUJXWVPRXYDLL-KRWDZBQOSA-N 2 0 361.555 3.449 20 0 FGADRP C[C@@H](C(=O)NCc1ccc(Cl)cc1)[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662298743 720412115 /nfs/dbraw/zinc/41/21/15/720412115.db2.gz XKHGDKVWCZJHSN-YJBOKZPZSA-N 2 0 363.933 3.056 20 0 FGADRP C[C@@H]1CCC[N@H+](CC(=O)N(C)Cc2c(F)cccc2Cl)[C@@H]1CCC[NH3+] ZINC000662316878 720414707 /nfs/dbraw/zinc/41/47/07/720414707.db2.gz YBDYJKQVBVASEX-RDTXWAMCSA-N 2 0 369.912 3.277 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)CC1([NH3+])CC1)c1ccc(C(F)(F)F)cc1 ZINC000662698013 720453354 /nfs/dbraw/zinc/45/33/54/720453354.db2.gz MYBQZOAOUDNHQT-HNNXBMFYSA-N 2 0 357.420 3.086 20 0 FGADRP CCN(C(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C)[C@H]1CC[N@H+](CC)C1 ZINC000664292626 720619589 /nfs/dbraw/zinc/61/95/89/720619589.db2.gz OVAHKJNLKJZWGZ-ROUUACIJSA-N 2 0 366.937 3.068 20 0 FGADRP CCN(C(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)C)[C@H]1CC[N@H+](CC)C1 ZINC000664292627 720619876 /nfs/dbraw/zinc/61/98/76/720619876.db2.gz OVAHKJNLKJZWGZ-ZWKOTPCHSA-N 2 0 366.937 3.068 20 0 FGADRP COc1cc[nH+]c(N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)c1 ZINC001164842472 720662184 /nfs/dbraw/zinc/66/21/84/720662184.db2.gz RRBFBCOTJFFGGI-IBGZPJMESA-N 2 0 367.493 3.350 20 0 FGADRP COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+][C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000666995780 721010745 /nfs/dbraw/zinc/01/07/45/721010745.db2.gz ZWXFVGDIKSNZHR-DZGCQCFKSA-N 2 0 365.905 3.330 20 0 FGADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000667826369 721179026 /nfs/dbraw/zinc/17/90/26/721179026.db2.gz OOHPTDCNULEDEJ-AWEZNQCLSA-N 2 0 358.408 3.160 20 0 FGADRP CCC[N@H+](C)[C@H](CNC(=O)N[C@H]1CCC[NH2+]CC1)c1ccc(Cl)cc1 ZINC000669583625 721468970 /nfs/dbraw/zinc/46/89/70/721468970.db2.gz LKESMJXGPIHAHE-ZWKOTPCHSA-N 2 0 366.937 3.164 20 0 FGADRP COc1cc[nH+]c(N2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)c1 ZINC001164793785 721490095 /nfs/dbraw/zinc/49/00/95/721490095.db2.gz WIDFYDSXQACADL-UHFFFAOYSA-N 2 0 352.482 3.366 20 0 FGADRP CCC[N@H+](C)[C@H](CNC(=O)N[C@@H]1CCC[NH+](C)C1)c1ccc(Cl)cc1 ZINC000672454647 721634153 /nfs/dbraw/zinc/63/41/53/721634153.db2.gz QYCIDCKSTLQFSB-QZTJIDSGSA-N 2 0 366.937 3.116 20 0 FGADRP C[NH+]1CCC(N2CC[C@@H]([NH2+][C@@H]3CCCOc4c(Cl)cccc43)C2)CC1 ZINC000675876205 721777236 /nfs/dbraw/zinc/77/72/36/721777236.db2.gz WGGKAMHTBRYIGX-DNVCBOLYSA-N 2 0 363.933 3.312 20 0 FGADRP C[C@@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)c1ccc(Br)c(F)c1 ZINC000676076886 721785023 /nfs/dbraw/zinc/78/50/23/721785023.db2.gz YAEJHFWSBBZKLI-CYBMUJFWSA-N 2 0 372.326 3.265 20 0 FGADRP C[C@H](C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)Oc1ccccc1Br ZINC000677241517 721875889 /nfs/dbraw/zinc/87/58/89/721875889.db2.gz QBVWMGJPTLMJCL-KFWWJZLASA-N 2 0 353.304 3.433 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@H](OC)c2ccc(F)cc2)[C@@H](C)C1 ZINC000678594676 721966072 /nfs/dbraw/zinc/96/60/72/721966072.db2.gz JHBPJBMWYUBQTK-FFZOFVMBSA-N 2 0 352.494 3.240 20 0 FGADRP C[N@@H+]1CCCC[C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)C1 ZINC000700804667 722409816 /nfs/dbraw/zinc/40/98/16/722409816.db2.gz QATUSDFUSSZRHF-CSNJMZFVSA-N 2 0 351.535 3.238 20 0 FGADRP C[C@@H]1C[C@H]([NH2+]CC2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)CC[N@@H+]1C ZINC000720623444 722419463 /nfs/dbraw/zinc/41/94/63/722419463.db2.gz MBFLNOAIBGVGJB-CUHOHZIGSA-N 2 0 351.535 3.237 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=S)NCC(C)(C)C[NH+](C)C)c1ccsc1 ZINC000727074638 722440944 /nfs/dbraw/zinc/44/09/44/722440944.db2.gz MLUUKODYVADZSK-MRXNPFEDSA-N 2 0 370.632 3.183 20 0 FGADRP C[NH+](C)CCOc1ccc(C[NH2+]Cc2ccc(Br)cn2)cc1 ZINC000733798673 722500979 /nfs/dbraw/zinc/50/09/79/722500979.db2.gz YTLNWFJSHWKUBI-UHFFFAOYSA-N 2 0 364.287 3.074 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](C)c1ccc(C)s1 ZINC000745735862 722590018 /nfs/dbraw/zinc/59/00/18/722590018.db2.gz KFAKVJWAEGFIRJ-IRXDYDNUSA-N 2 0 366.575 3.175 20 0 FGADRP C[NH+](C)[C@@H](CNC(=O)CCCC[NH+]1CCCC1)c1ccc(Cl)cc1 ZINC000746638779 722612033 /nfs/dbraw/zinc/61/20/33/722612033.db2.gz YRQCONDASFEJGJ-SFHVURJKSA-N 2 0 351.922 3.325 20 0 FGADRP C[C@H]([NH2+]CC[C@H]1CCCC[N@@H+]1C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000754315219 722934470 /nfs/dbraw/zinc/93/44/70/722934470.db2.gz ODJAUIRIWVWGHV-RCCFBDPRSA-N 2 0 353.551 3.486 20 0 FGADRP CC[NH+](CC)CCC[N@@H+]1C[C@@H]2CCC[C@@H](NC(=O)OC(C)(C)C)[C@H]2C1 ZINC000755047064 722949642 /nfs/dbraw/zinc/94/96/42/722949642.db2.gz DRQDVXXRERREQB-OKZBNKHCSA-N 2 0 353.551 3.344 20 0 FGADRP CCOC(=O)C(F)(F)[C@@H]1CCC[C@@H]([NH2+]C2CC([NH+]3CCCCC3)C2)C1 ZINC000793338974 723426320 /nfs/dbraw/zinc/42/63/20/723426320.db2.gz ZNXFNERMPYHRMX-NUWOQIAWSA-N 2 0 358.473 3.350 20 0 FGADRP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1ccc(SC(F)F)cc1 ZINC000765798468 723541755 /nfs/dbraw/zinc/54/17/55/723541755.db2.gz SBRBOWCGLSKDOW-UKRRQHHQSA-N 2 0 371.497 3.239 20 0 FGADRP Cc1cc(Br)cc(CN2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)c1 ZINC000774911448 723941799 /nfs/dbraw/zinc/94/17/99/723941799.db2.gz GPMSPPRGMYMWLA-FGTMMUONSA-N 2 0 367.331 3.441 20 0 FGADRP C[NH+]1CCC2(CCC[N@H+](CCC(=O)NCc3ccccc3Cl)C2)CC1 ZINC000799177235 723995502 /nfs/dbraw/zinc/99/55/02/723995502.db2.gz MRWBGMMJXVNGCP-UHFFFAOYSA-N 2 0 363.933 3.154 20 0 FGADRP C[NH+](C)CCOc1ccc(CC[NH2+][C@H]2CCc3nc(Cl)ccc32)cc1 ZINC000806137586 725117535 /nfs/dbraw/zinc/11/75/35/725117535.db2.gz LKDJAUSFEHLEDD-SFHVURJKSA-N 2 0 359.901 3.495 20 0 FGADRP C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC000810165011 725294037 /nfs/dbraw/zinc/29/40/37/725294037.db2.gz JKVSFTYPRGUIND-YZLZLFLDSA-N 2 0 353.526 3.063 20 0 FGADRP CC(C)C[C@@H](C[NH2+]CC1CC[NH+](C2CC2)CC1)NC(=O)OC(C)(C)C ZINC000811496814 725369600 /nfs/dbraw/zinc/36/96/00/725369600.db2.gz MTWXDUGXVDUEKP-KRWDZBQOSA-N 2 0 353.551 3.390 20 0 FGADRP C[N@@H+]1CCC[C@]2(CC[NH+](C[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)C2)C1 ZINC000815143187 727044199 /nfs/dbraw/zinc/04/41/99/727044199.db2.gz GJQILTJMRZLCSZ-PXNSSMCTSA-N 2 0 351.535 3.051 20 0 FGADRP C[N@@H+]1CCC[C@]2(CC[NH+](C[C@H]3CCCN(C(=O)OC(C)(C)C)C3)C2)C1 ZINC000815143188 727044242 /nfs/dbraw/zinc/04/42/42/727044242.db2.gz GJQILTJMRZLCSZ-XLIONFOSSA-N 2 0 351.535 3.051 20 0 FGADRP C[N@@H+]1CCC[C@]2(CC[NH+](C[C@]3(C)CCN(C(=O)OC(C)(C)C)C3)C2)C1 ZINC000816641942 727183887 /nfs/dbraw/zinc/18/38/87/727183887.db2.gz KJEIJDNIQKGITC-PMACEKPBSA-N 2 0 351.535 3.051 20 0 FGADRP C[C@@H](C[NH2+]C[C@@H](O)c1ccccc1Br)C[NH+]1CCCCC1 ZINC000818968957 727332120 /nfs/dbraw/zinc/33/21/20/727332120.db2.gz HOJGCOQTHVQICZ-WMLDXEAASA-N 2 0 355.320 3.194 20 0 FGADRP C[C@H](C[NH2+]C[C@@H](O)c1ccc(OC(F)(F)F)cc1)C[NH+]1CCCCC1 ZINC000818968985 727332205 /nfs/dbraw/zinc/33/22/05/727332205.db2.gz IGPMLOYJXDQNEH-RHSMWYFYSA-N 2 0 360.420 3.330 20 0 FGADRP CC(C)C[NH+]1CCC([NH2+]C[C@@H](O)c2ccc(Br)cc2)CC1 ZINC000818979867 727333666 /nfs/dbraw/zinc/33/36/66/727333666.db2.gz CEXKPMAPXBPYDX-QGZVFWFLSA-N 2 0 355.320 3.193 20 0 FGADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+]C[C@@H](O)c2ccc(OC(F)(F)F)cc2)C1 ZINC000818985705 727334679 /nfs/dbraw/zinc/33/46/79/727334679.db2.gz VDBUDTRUPLHIQU-RHSMWYFYSA-N 2 0 360.420 3.329 20 0 FGADRP CC[NH+]1CCC(CC[NH2+]C[C@H](O)c2ccccc2Br)CC1 ZINC000819107389 727348268 /nfs/dbraw/zinc/34/82/68/727348268.db2.gz XYWUAJAFDYEUGG-KRWDZBQOSA-N 2 0 355.320 3.194 20 0 FGADRP C[C@H]1CC[C@H]([NH2+]CC2CC[NH+](C3CC3)CC2)CN1C(=O)OC(C)(C)C ZINC000822476675 729179286 /nfs/dbraw/zinc/17/92/86/729179286.db2.gz SUSCDURHYGHILI-RDJZCZTQSA-N 2 0 351.535 3.238 20 0 FGADRP C[C@@H]1C[C@H](C[N@H+](C)CC2CC[NH+](C)CC2)CCN1C(=O)OC(C)(C)C ZINC000823436856 729280564 /nfs/dbraw/zinc/28/05/64/729280564.db2.gz DNAJRMGMOLGQFK-SJLPKXTDSA-N 2 0 353.551 3.296 20 0 FGADRP C[C@H](C[NH2+]C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1)C[NH+]1CCCC1 ZINC000823671422 729297642 /nfs/dbraw/zinc/29/76/42/729297642.db2.gz OFTAQWJXMFOEQR-FGTMMUONSA-N 2 0 353.551 3.344 20 0 FGADRP C[C@@H]1C[C@H](C[NH2+]CCC2CC[NH+](C)CC2)CCN1C(=O)OC(C)(C)C ZINC000823818732 729306619 /nfs/dbraw/zinc/30/66/19/729306619.db2.gz QLYIOWKWUJKQNW-SJLPKXTDSA-N 2 0 353.551 3.344 20 0 FGADRP CC[NH+](CC)CCC[C@H](C)NC(=O)c1sc(C2CC[NH2+]CC2)nc1C ZINC000876707805 736135272 /nfs/dbraw/zinc/13/52/72/736135272.db2.gz ASZIQJJVPXYEAM-AWEZNQCLSA-N 2 0 366.575 3.159 20 0 FGADRP [NH3+]CCCCCCNC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000831094611 729617230 /nfs/dbraw/zinc/61/72/30/729617230.db2.gz NHGIZEPSVFZHDZ-SFHVURJKSA-N 2 0 366.937 3.295 20 0 FGADRP Fc1ccc([C@@H]2CC[NH2+]C[C@@H]2C[NH2+][C@@H]2CC[C@H]3SCCS[C@H]23)cc1 ZINC000841075631 730208138 /nfs/dbraw/zinc/20/81/38/730208138.db2.gz TVECFNMVPSAALQ-RSRPTUBKSA-N 2 0 366.571 3.488 20 0 FGADRP Cc1nn(Cc2ccc(F)cc2)c(Cl)c1CN1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000843058257 730575000 /nfs/dbraw/zinc/57/50/00/730575000.db2.gz QLZSSRFAWUZKJE-IUODEOHRSA-N 2 0 350.869 3.201 20 0 FGADRP Cc1nn(Cc2ccccc2)c(Cl)c1CN1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000843058979 730575016 /nfs/dbraw/zinc/57/50/16/730575016.db2.gz BDKHQAJVCSKSJY-UHOSZYNNSA-N 2 0 358.917 3.452 20 0 FGADRP O=C(C[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)Nc1ccc(SC(F)F)cc1 ZINC000843388738 730612528 /nfs/dbraw/zinc/61/25/28/730612528.db2.gz WYPFNLXNCOIRFL-KGLIPLIRSA-N 2 0 369.481 3.261 20 0 FGADRP [NH3+]CCCCCC[NH+]1CCN(Cc2csc(-c3ccccc3)n2)CC1 ZINC000846220960 730937249 /nfs/dbraw/zinc/93/72/49/730937249.db2.gz FDQAGXPQBFKVFW-UHFFFAOYSA-N 2 0 358.555 3.447 20 0 FGADRP C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=[NH2+])N3CCSCC3)cc2)C1 ZINC000849062007 731225166 /nfs/dbraw/zinc/22/51/66/731225166.db2.gz AQPNBTZYIMTGBO-IRXDYDNUSA-N 2 0 360.571 3.238 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCCOc1ccc(Cl)cc1Cl ZINC000849064859 731225345 /nfs/dbraw/zinc/22/53/45/731225345.db2.gz FRTFWAJPFVWVSR-AWEZNQCLSA-N 2 0 373.328 3.361 20 0 FGADRP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+][C@@H]3CCC[C@H](C(F)(F)F)C3)cc2)C1 ZINC000850357643 731348195 /nfs/dbraw/zinc/34/81/95/731348195.db2.gz QJBAGPAXARHCPZ-RCCFBDPRSA-N 2 0 356.432 3.464 20 0 FGADRP C[C@H](C[C@H](C)[NH2+]CC1CC[NH+](CC2CC2)CC1)NC(=O)OC(C)(C)C ZINC000850580828 731375857 /nfs/dbraw/zinc/37/58/57/731375857.db2.gz BKOMPKNAHVBSSM-JKSUJKDBSA-N 2 0 353.551 3.390 20 0 FGADRP CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000853241460 731686734 /nfs/dbraw/zinc/68/67/34/731686734.db2.gz VMURLYDJISTQDW-KZNAEPCWSA-N 2 0 351.535 3.144 20 0 FGADRP CC[C@H]([NH2+]C)c1nc(-c2ccc(N3CCC[N@H+](C)CC3)c(Cl)c2)no1 ZINC000854147011 731798344 /nfs/dbraw/zinc/79/83/44/731798344.db2.gz PWJCRIHYXIJSBC-HNNXBMFYSA-N 2 0 363.893 3.202 20 0 FGADRP Cc1cc(C[NH2+]C2CCN(CC[NH+](C)C)CC2)c(Br)cc1F ZINC000858095262 732179855 /nfs/dbraw/zinc/17/98/55/732179855.db2.gz NMWDCYVKEXEMNZ-UHFFFAOYSA-N 2 0 372.326 3.012 20 0 FGADRP C[C@@H]([NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C12CCC2)C1CC[NH+](C)CC1 ZINC000858474589 732218750 /nfs/dbraw/zinc/21/87/50/732218750.db2.gz BQHRERRSPWXOAC-NVXWUHKLSA-N 2 0 351.535 3.238 20 0 FGADRP C[C@@H]1C[C@@H](O)C[C@H](C)[NH+]1CC[Si](C)(C)CC[N@H+]1[C@H](C)C[C@@H](O)C[C@@H]1C ZINC000859268957 732301189 /nfs/dbraw/zinc/30/11/89/732301189.db2.gz RIRKYXBESOHXRK-YFWYZSEYSA-N 2 0 370.654 3.162 20 0 FGADRP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]C[C@H]2CC(F)(F)CN2C(=O)OC(C)(C)C)C1 ZINC000862283550 732804245 /nfs/dbraw/zinc/80/42/45/732804245.db2.gz KIFCKWMROSBLJQ-RRFJBIMHSA-N 2 0 361.477 3.094 20 0 FGADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]C[C@H](CC(F)F)NC(=O)OC(C)(C)C)C1 ZINC000865449770 733203505 /nfs/dbraw/zinc/20/35/05/733203505.db2.gz FBAQDGAOHUOFPH-GJZGRUSLSA-N 2 0 363.493 3.245 20 0 FGADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H](C)c2cc3c(ccnc3Cl)o2)CC1 ZINC000866233139 733327285 /nfs/dbraw/zinc/32/72/85/733327285.db2.gz RPVZAUQVHQYDLO-KBPBESRZSA-N 2 0 350.894 3.158 20 0 FGADRP C[N@@H+]1CC[C@H]([NH2+][C@H]2CC[C@H](NC(=O)OC(C)(C)C)CC2)[C@H]2CCC[C@@H]21 ZINC000866467777 733353872 /nfs/dbraw/zinc/35/38/72/733353872.db2.gz PZYIAVMCNLAVFS-DZVNLGKHSA-N 2 0 351.535 3.285 20 0 FGADRP Cc1ccc2c(C(=O)N3C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C3)csc2c1 ZINC000870018885 733801942 /nfs/dbraw/zinc/80/19/42/733801942.db2.gz IMUIHTMGDDNPKP-HZPDHXFCSA-N 2 0 359.539 3.021 20 0 FGADRP CC[C@@H]([NH2+]CC1(SC)CC[NH+](C)CC1)C(=O)N(C)c1ccc(C)cc1 ZINC000871885437 735560690 /nfs/dbraw/zinc/56/06/90/735560690.db2.gz JLTPBSAYPOVZGY-GOSISDBHSA-N 2 0 363.571 3.153 20 0 FGADRP c1nc(C2CC[NH+](Cc3cc4c(s3)CC[NH2+]C4)CC2)n2c1CCCC2 ZINC000873211082 735738771 /nfs/dbraw/zinc/73/87/71/735738771.db2.gz UPSDTYFYUDHZRG-UHFFFAOYSA-N 2 0 356.539 3.306 20 0 FGADRP C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@H](C)C1CC[NH2+]CC1 ZINC000873219992 735739059 /nfs/dbraw/zinc/73/90/59/735739059.db2.gz FFSCWGXKDQEDLP-CHWSQXEVSA-N 2 0 368.319 3.144 20 0 FGADRP C[C@@H]([NH2+][C@H]1CC[NH2+]CC(C)(C)C1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000873246384 735743458 /nfs/dbraw/zinc/74/34/58/735743458.db2.gz VJHQJPQKQIOTIV-OCCSQVGLSA-N 2 0 360.470 3.112 20 0 FGADRP CCO[P@](C)(=O)CC[C@H](C)[NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000877090895 736186785 /nfs/dbraw/zinc/18/67/85/736186785.db2.gz XVQAOBWXSJZPBS-MDXXILDGSA-N 2 0 360.479 3.067 20 0 FGADRP C[NH+](C)C1CCN(CC[NH2+]Cc2cc3nc(Cl)ccc3s2)CC1 ZINC000877159133 736193198 /nfs/dbraw/zinc/19/31/98/736193198.db2.gz TYKJMAYYSDBUCM-UHFFFAOYSA-N 2 0 352.935 3.065 20 0 FGADRP C([C@H]1CCC2(CCOCC2)O1)[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000878050131 736763918 /nfs/dbraw/zinc/76/39/18/736763918.db2.gz QWGPZKVOKLEQGV-VQTJNVASSA-N 2 0 350.547 3.303 20 0 FGADRP CC(C)C[C@@H]([NH2+]CC(=O)NC1CC[NH+](C)CC1)c1ccc(Cl)cc1 ZINC000878366632 736816898 /nfs/dbraw/zinc/81/68/98/736816898.db2.gz UMTZPSBWOIDYLM-GOSISDBHSA-N 2 0 351.922 3.227 20 0 FGADRP CCC1([NH+]2CCC2)CCN(C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)CC1 ZINC000884153658 737637970 /nfs/dbraw/zinc/63/79/70/737637970.db2.gz PEPUNFVFGCQGQA-KRWDZBQOSA-N 2 0 352.567 3.013 20 0 FGADRP CC[NH+](CC)CCC[C@@H](C)NC(=O)[C@H]([NH3+])c1ccc(Br)cc1 ZINC000884176284 737640984 /nfs/dbraw/zinc/64/09/84/737640984.db2.gz BHEXDYPAHWSVED-CZUORRHYSA-N 2 0 370.335 3.076 20 0 FGADRP O[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+][C@@H]2CCOC3(CCCCC3)C2)CC1 ZINC000886026262 739210104 /nfs/dbraw/zinc/21/01/04/739210104.db2.gz RTVMUTOQJPDSDJ-VAMGGRTRSA-N 2 0 350.547 3.226 20 0 FGADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CC[C@@H](C(=O)OCC)[C@H](C(F)(F)F)C2)C1 ZINC000892668122 740029106 /nfs/dbraw/zinc/02/91/06/740029106.db2.gz HFTBRSACZNTBAL-KLHDSHLOSA-N 2 0 364.452 3.218 20 0 FGADRP C[NH+](C)CCN1CCC([NH2+]Cc2cc3ccnc(Cl)c3s2)CC1 ZINC000894169434 742247965 /nfs/dbraw/zinc/24/79/65/742247965.db2.gz BOSDHLRAVUBEAW-UHFFFAOYSA-N 2 0 352.935 3.065 20 0 FGADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@H]2CC[N@@H+](C(C)C)C2)C[C@H]1C(F)(F)F ZINC000894454900 742285516 /nfs/dbraw/zinc/28/55/16/742285516.db2.gz BRVMVSOVWWYBPD-QKPAOTATSA-N 2 0 364.452 3.217 20 0 FGADRP FC(F)(F)c1nc(C[NH2+]CC2CC[NH+](C3CCOCC3)CC2)cs1 ZINC000895308486 742396600 /nfs/dbraw/zinc/39/66/00/742396600.db2.gz JVEKNIQGGBDAQP-UHFFFAOYSA-N 2 0 363.449 3.143 20 0 FGADRP Clc1ccccc1C[NH+]1CCC(C[NH2+][C@@H]2CCO[C@]23CCOC3)CC1 ZINC000903091872 743803930 /nfs/dbraw/zinc/80/39/30/743803930.db2.gz BRQHJJWIYSYPHK-UXHICEINSA-N 2 0 364.917 3.090 20 0 FGADRP C[C@@H](CCCNC(=O)OC(C)(C)C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903176451 743817986 /nfs/dbraw/zinc/81/79/86/743817986.db2.gz AHKBRGDXKRDLEO-UNPWZGGWSA-N 2 0 351.535 3.427 20 0 FGADRP Clc1cccc([C@H]([NH2+]C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)c2ccccn2)c1 ZINC000903761084 743881432 /nfs/dbraw/zinc/88/14/32/743881432.db2.gz ZOUCDTZCCHLCFA-YSIASYRMSA-N 2 0 357.885 3.183 20 0 FGADRP O=C(c1ccccc1Cl)C1CC[NH+](C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)CC1 ZINC000903832960 743887091 /nfs/dbraw/zinc/88/70/91/743887091.db2.gz ULECMVQXEWDSFH-JXFKEZNVSA-N 2 0 362.901 3.003 20 0 FGADRP FC1(F)CC[NH2+]C[C@@H]1C[NH2+]C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000903957281 743905314 /nfs/dbraw/zinc/90/53/14/743905314.db2.gz PLCXHMDUGCVPPH-OAHLLOKOSA-N 2 0 357.876 3.139 20 0 FGADRP Brc1cncc(C[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000904475107 743957481 /nfs/dbraw/zinc/95/74/81/743957481.db2.gz YHRORUMLGGHNIF-SJLPKXTDSA-N 2 0 374.282 3.190 20 0 FGADRP CC(C)[C@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1sccc1Br)C2 ZINC000922386204 758909106 /nfs/dbraw/zinc/90/91/06/758909106.db2.gz DHAHSJZKSZQMLX-XOUADPBQSA-N 2 0 373.360 3.080 20 0 FGADRP CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3cc4ccncc4s3)C2)[C@@H]1C(C)C ZINC000922396994 758914868 /nfs/dbraw/zinc/91/48/68/758914868.db2.gz ZXTAHDBKWYEDCP-JYBIWHBTSA-N 2 0 359.539 3.256 20 0 FGADRP [NH3+]CC[C@H]1CC[N@H+](Cc2ncc(-c3cccc(Br)c3)o2)C1 ZINC000923483964 759129458 /nfs/dbraw/zinc/12/94/58/759129458.db2.gz UOSRDKXFDMGCSL-LBPRGKRZSA-N 2 0 350.260 3.275 20 0 FGADRP CCOc1ccc(-c2nc(C[N@@H+]3CC[C@@H](CC[NH3+])C3)cs2)cc1OC ZINC000923482966 759129509 /nfs/dbraw/zinc/12/95/09/759129509.db2.gz JYBKOZBHSPLCMJ-CQSZACIVSA-N 2 0 361.511 3.388 20 0 FGADRP [NH3+]CC[C@H]1CC[N@H+](CCC(=O)N[C@H](c2cccs2)c2ccccc2)C1 ZINC000923486823 759129723 /nfs/dbraw/zinc/12/97/23/759129723.db2.gz KFOKQFUXUGHHME-JXFKEZNVSA-N 2 0 357.523 3.015 20 0 FGADRP C[C@@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000923488337 759130609 /nfs/dbraw/zinc/13/06/09/759130609.db2.gz RZYWAAGPKFLYHP-RYUDHWBXSA-N 2 0 354.376 3.487 20 0 FGADRP C[C@@H](C[C@@H]1CCC(=O)N1)[NH2+]CC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000924993657 759428578 /nfs/dbraw/zinc/42/85/78/759428578.db2.gz QNPPXAOIHHAGJN-YJBOKZPZSA-N 2 0 363.933 3.199 20 0 FGADRP CC[C@@H]1CN(C(=O)C(C)C)CC[C@H]1[NH2+]C1CC[NH+](CCC(C)C)CC1 ZINC000925176421 759459358 /nfs/dbraw/zinc/45/93/58/759459358.db2.gz GZVFMGXPXPUPFX-UYAOXDASSA-N 2 0 351.579 3.370 20 0 FGADRP CN1CC[C@H](C[NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000925629017 759514867 /nfs/dbraw/zinc/51/48/67/759514867.db2.gz JQWDQDZVIZCURR-PILAGYSTSA-N 2 0 351.897 3.331 20 0 FGADRP CCN1CC[C@H]([NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000925635965 759516496 /nfs/dbraw/zinc/51/64/96/759516496.db2.gz WETOQRYUAAQILF-LHHMISFZSA-N 2 0 353.432 3.099 20 0 FGADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]Cc1cc(Br)c2ccccc2c1 ZINC000925807485 759546480 /nfs/dbraw/zinc/54/64/80/759546480.db2.gz VGYSPYCNVPLRSA-XZOAIXRZSA-N 2 0 363.299 3.444 20 0 FGADRP CCc1nc(C)c([C@@H](C)[NH2+]Cc2ccc(CN3CC[NH2+]CC3)cc2)s1 ZINC000925807265 759546784 /nfs/dbraw/zinc/54/67/84/759546784.db2.gz DVAZEMPVQMXMAJ-OAHLLOKOSA-N 2 0 358.555 3.270 20 0 FGADRP C[C@@H]([NH2+]CCCCCC1CC[NH2+]CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000925816725 759550709 /nfs/dbraw/zinc/55/07/09/759550709.db2.gz JOJMKYIFLCLMDO-MRXNPFEDSA-N 2 0 352.544 3.301 20 0 FGADRP O=C1O[C@H](C[NH2+][C@H]2CCC[C@H]2c2ccccc2Cl)CC12CC[NH2+]CC2 ZINC000925848709 759557271 /nfs/dbraw/zinc/55/72/71/759557271.db2.gz DEFJSFZEQDJARX-ZVZYQTTQSA-N 2 0 362.901 3.251 20 0 FGADRP C[C@@H]([NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1cc(Cl)ccc1Cl ZINC000925854402 759559544 /nfs/dbraw/zinc/55/95/44/759559544.db2.gz LTBXJAGKHUMHHC-DGCLKSJQSA-N 2 0 357.281 3.329 20 0 FGADRP C[C@H](Cc1c(Cl)cccc1Cl)[NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925855297 759560340 /nfs/dbraw/zinc/56/03/40/759560340.db2.gz UEZLTFJUQRIZTM-CHWSQXEVSA-N 2 0 371.308 3.199 20 0 FGADRP [NH3+]C[C@@]1(c2ccccc2)C[C@H]([NH2+]C2CCN(CCC(F)(F)F)CC2)C1 ZINC000925886393 759567058 /nfs/dbraw/zinc/56/70/58/759567058.db2.gz GBISLYBAZUXESM-HDICACEKSA-N 2 0 355.448 3.052 20 0 FGADRP FC(F)(F)C1CC[NH+](C2CC(N[C@@H]3CCC[N@@H+]4CCCC[C@H]34)C2)CC1 ZINC000926332403 759718299 /nfs/dbraw/zinc/71/82/99/759718299.db2.gz XONOPNWTIMKCET-OPQOLIRYSA-N 2 0 359.480 3.398 20 0 FGADRP Cn1cncc1CC[NH+]1CCC(c2nc(-c3ccncc3)cs2)CC1 ZINC000932558623 761189241 /nfs/dbraw/zinc/18/92/41/761189241.db2.gz WXJKTSLCVVQRJR-UHFFFAOYSA-N 2 0 353.495 3.361 20 0 FGADRP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]([NH2+]Cc3ccc(Cl)cc3)C2)CC[N@@H+]1C ZINC000999204456 765147277 /nfs/dbraw/zinc/14/72/77/765147277.db2.gz GCPZPPOCLKXHGD-CEXWTWQISA-N 2 0 363.933 3.151 20 0 FGADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc(C)cc3Cl)C2)CC[N@@H+]1C ZINC001022109021 765974207 /nfs/dbraw/zinc/97/42/07/765974207.db2.gz BEBISUMFGHFSFU-MJQMVNBJSA-N 2 0 363.933 3.116 20 0 FGADRP C[C@@H]1[C@H](C(=O)NC[C@H]2CCC[NH+](Cc3ccc(Cl)s3)C2)CC[N@@H+]1C ZINC001023377778 766035945 /nfs/dbraw/zinc/03/59/45/766035945.db2.gz WEMFNQASRBKDIZ-IIAWOOMASA-N 2 0 369.962 3.070 20 0 FGADRP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](C[NH+](C)Cc3csc(C)c3)C2)CC[N@@H+]1C ZINC001029742753 766150847 /nfs/dbraw/zinc/15/08/47/766150847.db2.gz YFAQAKCGXCLZOP-YTQUADARSA-N 2 0 363.571 3.067 20 0 FGADRP C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000376705181 257497079 /nfs/dbraw/zinc/49/70/79/257497079.db2.gz DOKAOGIEIRKTRK-YLJYHZDGSA-N 2 0 362.562 3.052 20 0 FGADRP Cn1c2ccc(C(F)(F)F)cc2nc1C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000567898799 505570680 /nfs/dbraw/zinc/57/06/80/505570680.db2.gz BPCCRYQEKQEUOI-KBPBESRZSA-N 2 0 366.431 3.414 20 0 FGADRP C[C@@H]([NH2+]CCc1c[nH]c2ncccc12)c1cccc(OCC[NH+](C)C)c1 ZINC000540148428 503690507 /nfs/dbraw/zinc/69/05/07/503690507.db2.gz OCINYICQQVOVSB-MRXNPFEDSA-N 2 0 352.482 3.397 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H]2CCOC3(CCSCC3)C2)[C@@H](C)C1 ZINC000536848854 503739535 /nfs/dbraw/zinc/73/95/35/503739535.db2.gz YMIRATWKUISEQZ-FHWLQOOXSA-N 2 0 370.603 3.158 20 0 FGADRP CCc1ccc([C@H](CNC(=O)c2ccc(CC[NH+](C)C)cc2)[NH+](C)C)cc1 ZINC000579608384 505586359 /nfs/dbraw/zinc/58/63/59/505586359.db2.gz SCHFRTWMQSMZPI-QFIPXVFZSA-N 2 0 367.537 3.386 20 0 FGADRP Cc1ccccc1[C@@H]([NH3+])C(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000567981547 505589529 /nfs/dbraw/zinc/58/95/29/505589529.db2.gz OOAWCAZLSQODQT-OAQYLSRUSA-N 2 0 366.509 3.155 20 0 FGADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]CCC(=O)Nc2cc(F)cc(F)c2)C1 ZINC000573712889 505602271 /nfs/dbraw/zinc/60/22/71/505602271.db2.gz FYAOKDUXZWVHCN-OAHLLOKOSA-N 2 0 353.457 3.251 20 0 FGADRP COc1ccc(NC(=O)[C@@H](c2ccccc2)[NH+]2CCC(CC[NH3+])CC2)cc1 ZINC000568057146 505605300 /nfs/dbraw/zinc/60/53/00/505605300.db2.gz SHWSTDYJGKIUEF-OAQYLSRUSA-N 2 0 367.493 3.436 20 0 FGADRP COC(=O)CC[N@H+](Cc1ccc(F)c(F)c1)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000573809333 505626327 /nfs/dbraw/zinc/62/63/27/505626327.db2.gz XKFFYSPXVQLZDA-UHFFFAOYSA-N 2 0 374.431 3.176 20 0 FGADRP CCN(C(=O)[C@H](C)Cc1c[nH]cn1)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000568189397 505638528 /nfs/dbraw/zinc/63/85/28/505638528.db2.gz GRLKINYXXXXFAC-FUHIMQAGSA-N 2 0 354.498 3.272 20 0 FGADRP O=C(NCCC[NH+]1CCCC1)NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000579896418 505639659 /nfs/dbraw/zinc/63/96/59/505639659.db2.gz JOATXXWUJADCCU-OAQYLSRUSA-N 2 0 372.557 3.074 20 0 FGADRP O=C(NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)Nc1cccc2c1CC[NH2+]C2 ZINC000568226361 505648112 /nfs/dbraw/zinc/64/81/12/505648112.db2.gz RDJXIXSWXCKJHI-IBGZPJMESA-N 2 0 364.493 3.118 20 0 FGADRP C[C@@H](C[N@@H+]1CCCC[C@@H]1CNC(=O)CC[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000579952998 505651604 /nfs/dbraw/zinc/65/16/04/505651604.db2.gz YTEHXAMIGVMPRK-WMLDXEAASA-N 2 0 371.447 3.128 20 0 FGADRP C[C@H](C[N@@H+]1CCCC[C@H]1CNC(=O)CC[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000579952996 505651632 /nfs/dbraw/zinc/65/16/32/505651632.db2.gz YTEHXAMIGVMPRK-PBHICJAKSA-N 2 0 371.447 3.128 20 0 FGADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N2CCC(CC[NH3+])CC2)cc1 ZINC000577069798 505657804 /nfs/dbraw/zinc/65/78/04/505657804.db2.gz VOKNNVVCCGHWIZ-SFHVURJKSA-N 2 0 372.557 3.331 20 0 FGADRP [NH3+][C@@H]1CCO[C@H](C2CC[NH+](Cc3cccc(-c4cccnc4)c3)CC2)C1 ZINC000574021366 505675678 /nfs/dbraw/zinc/67/56/78/505675678.db2.gz IOTJLYXDUCZVOM-YADHBBJMSA-N 2 0 351.494 3.467 20 0 FGADRP CC[N@H+](C)[C@@H](C(=O)NC[C@@H](c1cccc(OC)c1)[NH+](C)C)c1ccccc1 ZINC000057825953 493804184 /nfs/dbraw/zinc/80/41/84/493804184.db2.gz GOCFLARBEGGXLF-LEWJYISDSA-N 2 0 369.509 3.107 20 0 FGADRP CC[NH+](CC)[C@H](C)CNC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000048217425 493804708 /nfs/dbraw/zinc/80/47/08/493804708.db2.gz NEWWVWOOBWVLOO-GOSISDBHSA-N 2 0 360.546 3.202 20 0 FGADRP CCOc1cc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)ccc1OCC(F)(F)F ZINC000568393870 505683983 /nfs/dbraw/zinc/68/39/83/505683983.db2.gz UPRGOCZULFLMPM-IYBDPMFKSA-N 2 0 372.431 3.458 20 0 FGADRP C[C@@H](CC[NH+](C)C)NC(=O)NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000068597366 493846315 /nfs/dbraw/zinc/84/63/15/493846315.db2.gz LJIKAKSQVCAGHE-ROUUACIJSA-N 2 0 360.546 3.200 20 0 FGADRP Cc1cc(C)cc(C[NH2+]Cc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)c1 ZINC000076331072 493866746 /nfs/dbraw/zinc/86/67/46/493866746.db2.gz AVNNDPYPPOFVFA-UHFFFAOYSA-N 2 0 365.521 3.419 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1cc(C)ccc1F ZINC000076331537 493867120 /nfs/dbraw/zinc/86/71/20/493867120.db2.gz RHENUXIKNUIWGV-INIZCTEOSA-N 2 0 350.482 3.014 20 0 FGADRP Cc1cccc(CN(CC[NH+](C)C)C(=O)c2cccc(C[NH+](C)C)c2)c1 ZINC000081347607 493875953 /nfs/dbraw/zinc/87/59/53/493875953.db2.gz FRXQQMUFCWLCTR-UHFFFAOYSA-N 2 0 353.510 3.261 20 0 FGADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2ccc(C[NH+](CC)C3CC3)cc2)C1 ZINC000081363739 493879732 /nfs/dbraw/zinc/87/97/32/493879732.db2.gz FTFUMLCWZKJTEW-IBGZPJMESA-N 2 0 357.542 3.475 20 0 FGADRP CC(=O)c1ccccc1NC(=O)CCC[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000568410663 505687801 /nfs/dbraw/zinc/68/78/01/505687801.db2.gz UUCJBQSTNLBDIS-JWTNVVGKSA-N 2 0 357.498 3.165 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)NCCC[NH2+]C2CCCCC2)C1 ZINC000059992955 493910856 /nfs/dbraw/zinc/91/08/56/493910856.db2.gz GKWQHHYEDOTEJD-HDICACEKSA-N 2 0 366.594 3.355 20 0 FGADRP COc1cc(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)ccc1OCc1ccncc1 ZINC000030906896 493912488 /nfs/dbraw/zinc/91/24/88/493912488.db2.gz KHJVAMDIPMASGZ-LJQANCHMSA-N 2 0 367.493 3.243 20 0 FGADRP C[C@H](CC[NH+](C)C)NC(=O)NCc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000076571402 493927153 /nfs/dbraw/zinc/92/71/53/493927153.db2.gz YBMYFZMQDBCITJ-GOSISDBHSA-N 2 0 360.546 3.058 20 0 FGADRP CCCC[N@H+](C)C[C@H](C)NC(=O)[C@@H]1C[NH+](C(C)(C)C)C[C@H]1C(F)(F)F ZINC000577237229 505692536 /nfs/dbraw/zinc/69/25/36/505692536.db2.gz BWMZEGYMOXWHBJ-RRFJBIMHSA-N 2 0 365.484 3.132 20 0 FGADRP Cn1c(CCC[NH2+]Cc2ccc(OCC[NH+](C)C)cc2)nc2ccccc21 ZINC000076900967 493985664 /nfs/dbraw/zinc/98/56/64/493985664.db2.gz PORDYNQKJIPMPL-UHFFFAOYSA-N 2 0 366.509 3.236 20 0 FGADRP CC[NH+]1CCC(NC(=O)NC[C@H](c2ccccc2)[NH+]2CCC(C)CC2)CC1 ZINC000052500214 494033031 /nfs/dbraw/zinc/03/30/31/494033031.db2.gz YXZIXJQBHBLEHQ-OAQYLSRUSA-N 2 0 372.557 3.243 20 0 FGADRP CC(C)[NH+]1CCC([NH+](C)CCCC[N@@H+](C)C2CC[NH+](C(C)C)CC2)CC1 ZINC000077274169 494046166 /nfs/dbraw/zinc/04/61/66/494046166.db2.gz IRMHQXFJZDQPNR-UHFFFAOYSA-N 4 0 366.638 3.376 20 0 FGADRP O[C@H](CCc1ccccc1)C[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000568450159 505696400 /nfs/dbraw/zinc/69/64/00/505696400.db2.gz LQAHWBNRYSBRNR-KMDXXIMOSA-N 2 0 364.533 3.434 20 0 FGADRP C[C@H](C(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1)[NH+]1CCCCCC1 ZINC000084365125 494066421 /nfs/dbraw/zinc/06/64/21/494066421.db2.gz RJNPRJQMKQRABB-LJQANCHMSA-N 2 0 357.542 3.374 20 0 FGADRP Cc1ccc([C@H](CNC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)[NH+]2CCCC2)o1 ZINC000085360253 494116582 /nfs/dbraw/zinc/11/65/82/494116582.db2.gz GFIBGGDLMYYRMH-IRXDYDNUSA-N 2 0 364.534 3.000 20 0 FGADRP CC(C)CO[C@@H](C)c1noc(CN(C)Cc2ccc3c(c2)C[NH2+]CC3)n1 ZINC000577286799 505700707 /nfs/dbraw/zinc/70/07/07/505700707.db2.gz QRAOIVARNHKOQV-HNNXBMFYSA-N 2 0 358.486 3.081 20 0 FGADRP CC1(C)CC(NC(=O)N2CC[NH+](CC3CCCCC3)CC2)CC(C)(C)[NH2+]1 ZINC000065442193 494197715 /nfs/dbraw/zinc/19/77/15/494197715.db2.gz ZSYHCUZCKIYMSF-UHFFFAOYSA-N 2 0 364.578 3.203 20 0 FGADRP CCC[N@@H+]1CC[C@@H](CNC(=O)NCc2ccccc2C[NH+](CC)CC)C1 ZINC000054509975 494242405 /nfs/dbraw/zinc/24/24/05/494242405.db2.gz CFTLSDKGOYKJKY-SFHVURJKSA-N 2 0 360.546 3.060 20 0 FGADRP CCC[NH+]1CCN(c2ccccc2C[NH2+]C[C@H]2CCC[N@H+](CC)C2)CC1 ZINC000088696102 494255177 /nfs/dbraw/zinc/25/51/77/494255177.db2.gz LBBHEXKDTLCOCY-HXUWFJFHSA-N 3 0 358.574 3.040 20 0 FGADRP CCC[NH+]1CCN(c2ccccc2C[NH2+]C[C@@H](CO)c2ccccc2)CC1 ZINC000088740561 494257571 /nfs/dbraw/zinc/25/75/71/494257571.db2.gz DTJBVWJADLMQNA-QFIPXVFZSA-N 2 0 367.537 3.084 20 0 FGADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)NC[C@@H](c2cccs2)[NH+](C)C)C1 ZINC000043144376 494269799 /nfs/dbraw/zinc/26/97/99/494269799.db2.gz DMJJUCUAONOBKA-SJORKVTESA-N 2 0 366.575 3.162 20 0 FGADRP CC[C@@H](C)[N@H+](C)CCNC(=O)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000066196709 494288262 /nfs/dbraw/zinc/28/82/62/494288262.db2.gz OUCLVJFWBMGUNI-GOSISDBHSA-N 2 0 352.567 3.014 20 0 FGADRP CC[NH+](CC)CCSCC(=O)N[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000073034068 494310174 /nfs/dbraw/zinc/31/01/74/494310174.db2.gz FWRYYLVHHPJQKZ-HKUYNNGSSA-N 2 0 363.571 3.013 20 0 FGADRP Cc1ccc([C@@H](CNC(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)[NH+](C)C)cc1 ZINC000078523132 494313639 /nfs/dbraw/zinc/31/36/39/494313639.db2.gz SSCZEDVZGLAYOW-UYAOXDASSA-N 2 0 360.546 3.017 20 0 FGADRP CCC(CC)[C@H](CNC(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1)[NH+]1CCCC1 ZINC000078524401 494313728 /nfs/dbraw/zinc/31/37/28/494313728.db2.gz NASRNYFDTGYXDJ-ICSRJNTNSA-N 2 0 366.594 3.307 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1ccc2nc(C)ccc2c1 ZINC000580245611 505712665 /nfs/dbraw/zinc/71/26/65/505712665.db2.gz WNMRVZRZFUTGIM-OAQYLSRUSA-N 2 0 354.542 3.391 20 0 FGADRP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]Cc1cccc(OCC(F)F)c1 ZINC000089543730 494322590 /nfs/dbraw/zinc/32/25/90/494322590.db2.gz ZJERWQSOLDAMKE-MNEFBYGVSA-N 2 0 368.468 3.310 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1CCCNC(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000043860612 494325188 /nfs/dbraw/zinc/32/51/88/494325188.db2.gz IKFNBWOEVNYHDV-LJQANCHMSA-N 2 0 372.557 3.346 20 0 FGADRP C[C@@H](C[NH2+][C@@H]1CCc2c1cc(Cl)cc2Cl)CN1CC[NH+](C)CC1 ZINC000089701431 494345659 /nfs/dbraw/zinc/34/56/59/494345659.db2.gz JWLMKZLMQFPJGN-SCLBCKFNSA-N 2 0 356.341 3.454 20 0 FGADRP C[C@@H]1C[C@@H]([NH2+]CCC(=O)Nc2cccc(C(F)(F)F)c2)CN1C1CC1 ZINC000574192000 505716190 /nfs/dbraw/zinc/71/61/90/505716190.db2.gz QMRNLUOWMZVHCG-IUODEOHRSA-N 2 0 355.404 3.249 20 0 FGADRP C[NH+](C)CCN(Cc1ccccc1)C(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000079121647 494406687 /nfs/dbraw/zinc/40/66/87/494406687.db2.gz GHJVGNSAELDYBB-OAQYLSRUSA-N 2 0 368.525 3.063 20 0 FGADRP C[C@H](NC(=O)C[C@H](c1ccccc1)[NH+](C)C)[C@H](c1ccccc1)[NH+](C)C ZINC000571386328 505721058 /nfs/dbraw/zinc/72/10/58/505721058.db2.gz HZZCPHWAZABAAW-UCNVEGJOSA-N 2 0 353.510 3.487 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)NC1CC[NH+](CC(C)C)CC1)c1ccccc1 ZINC000079223861 494422222 /nfs/dbraw/zinc/42/22/22/494422222.db2.gz XBYSUEZRGPLWFS-NRFANRHFSA-N 2 0 374.573 3.489 20 0 FGADRP C[C@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)[C@@H](C)c1ccccc1 ZINC000090038802 494432576 /nfs/dbraw/zinc/43/25/76/494432576.db2.gz IEXHNZFLPYVGMJ-MSOLQXFVSA-N 2 0 353.510 3.260 20 0 FGADRP C[C@@H](CNC(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C)[NH+](C)Cc1ccccc1 ZINC000074168716 494491521 /nfs/dbraw/zinc/49/15/21/494491521.db2.gz PYHXKSNCKWWDDA-ICSRJNTNSA-N 2 0 360.546 3.023 20 0 FGADRP C[C@@H](CNC(=O)N(C)CC[C@H]1CCCC[N@@H+]1C)[NH+](C)Cc1ccccc1 ZINC000074168721 494491605 /nfs/dbraw/zinc/49/16/05/494491605.db2.gz PYHXKSNCKWWDDA-AZUAARDMSA-N 2 0 360.546 3.023 20 0 FGADRP C[NH+](C)CCC1CC[NH+](Cc2cn3cc(Br)ccc3n2)CC1 ZINC000056522027 494519740 /nfs/dbraw/zinc/51/97/40/494519740.db2.gz JNPTWYMOGYRWNZ-UHFFFAOYSA-N 2 0 365.319 3.261 20 0 FGADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NC[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000067390369 494530413 /nfs/dbraw/zinc/53/04/13/494530413.db2.gz QWVZSPWGAPWKJM-RBUKOAKNSA-N 2 0 374.573 3.400 20 0 FGADRP CCC[NH+]1CCC(NC(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)CC1 ZINC000074710652 494578461 /nfs/dbraw/zinc/57/84/61/494578461.db2.gz LCLDBFAPGQGZOD-IBGZPJMESA-N 2 0 364.578 3.158 20 0 FGADRP Cc1cc(C)n(-c2ccc(C[NH2+][C@@H]3CCC[C@H]3[C@H]3CCCC[NH2+]3)cn2)n1 ZINC000580311444 505730810 /nfs/dbraw/zinc/73/08/10/505730810.db2.gz KBGPOGYVDLKYQH-XUVXKRRUSA-N 2 0 353.514 3.285 20 0 FGADRP C[NH+](C)[C@@H]1CCC[C@@H](NCc2c(Cl)cccc2N2CC[NH+](C)CC2)C1 ZINC000092410583 494617770 /nfs/dbraw/zinc/61/77/70/494617770.db2.gz RWFWFQOUROXWCE-IAGOWNOFSA-N 2 0 364.965 3.054 20 0 FGADRP COc1cccc(C[C@H]([NH2+]CCCC[NH+]2C[C@@H](C)O[C@H](C)C2)C2CC2)c1 ZINC000121185672 494636456 /nfs/dbraw/zinc/63/64/56/494636456.db2.gz XSAJZDIRZAMSAE-HMFYCAOWSA-N 2 0 360.542 3.495 20 0 FGADRP CC[C@H]([NH2+]C[C@H](C)CN1CC[NH+](CC)CC1)c1ccc(OC)c(OC)c1 ZINC000121218001 494653259 /nfs/dbraw/zinc/65/32/59/494653259.db2.gz RYGFOZDCNKMTQV-HKUYNNGSSA-N 2 0 363.546 3.018 20 0 FGADRP C[NH+](C)Cc1ccc(CNC(=O)C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000057137798 494653901 /nfs/dbraw/zinc/65/39/01/494653901.db2.gz YMPYUQCDIRQTMH-UHFFFAOYSA-N 2 0 365.521 3.277 20 0 FGADRP CC[NH+](CC)CCOC1CC[NH+](CCc2nc(-c3ccccc3)no2)CC1 ZINC000075007456 494671611 /nfs/dbraw/zinc/67/16/11/494671611.db2.gz XHNVFPBCHQUFBB-UHFFFAOYSA-N 2 0 372.513 3.102 20 0 FGADRP C[NH+](C)CCNC(=O)C1CC[NH+](Cc2ccc(-c3ccccc3)s2)CC1 ZINC000092615719 494687199 /nfs/dbraw/zinc/68/71/99/494687199.db2.gz KSIVZSFZOKGUIH-UHFFFAOYSA-N 2 0 371.550 3.305 20 0 FGADRP C[C@H](NC(=O)C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1)c1cccc2ccccc21 ZINC000574277447 505736771 /nfs/dbraw/zinc/73/67/71/505736771.db2.gz FFWAXIPHQRXVKE-FXAWDEMLSA-N 2 0 365.521 3.339 20 0 FGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@@H]2CCCOc3c(C)cc(C)cc32)CC1 ZINC000121340312 494710465 /nfs/dbraw/zinc/71/04/65/494710465.db2.gz BDUUBSHLGKYZPD-GHTZIAJQSA-N 2 0 359.558 3.380 20 0 FGADRP CN(C(=O)C[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1)c1ccccc1 ZINC000092820871 494760703 /nfs/dbraw/zinc/76/07/03/494760703.db2.gz NPBQPRUETRCDOO-UHFFFAOYSA-N 2 0 366.509 3.283 20 0 FGADRP CN(CC[N@H+](C)Cc1ccc(Br)c(F)c1)C1CC[NH+](C)CC1 ZINC000126467565 494761266 /nfs/dbraw/zinc/76/12/66/494761266.db2.gz NOUIFPQGCORAGH-UHFFFAOYSA-N 2 0 372.326 3.046 20 0 FGADRP CCCCCNC(=O)[C@H](C)[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821342 494764344 /nfs/dbraw/zinc/76/43/44/494764344.db2.gz ZBGREGSGYIGCDO-SFHVURJKSA-N 2 0 360.546 3.315 20 0 FGADRP CC1CCC(NC(=O)C[N@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000092821127 494764499 /nfs/dbraw/zinc/76/44/99/494764499.db2.gz DBQQBRPRYBCSDQ-UHFFFAOYSA-N 2 0 372.557 3.315 20 0 FGADRP Cc1cc(Cl)c2c(c1)[C@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)CCCO2 ZINC000126521132 494777500 /nfs/dbraw/zinc/77/75/00/494777500.db2.gz DCADJUXISDZQGN-LJQANCHMSA-N 2 0 365.949 3.478 20 0 FGADRP C[NH+](C)C1(CNC(=O)NCc2ccccc2C[NH+]2CCCCC2)CCCC1 ZINC000047835409 494781753 /nfs/dbraw/zinc/78/17/53/494781753.db2.gz KYSRHGANWHSJHR-UHFFFAOYSA-N 2 0 372.557 3.346 20 0 FGADRP CSC1(C[NH2+]Cc2ccc(OC[C@H]3CCCO3)cc2)CC[NH+](C)CC1 ZINC000580367433 505741639 /nfs/dbraw/zinc/74/16/39/505741639.db2.gz VXOPNTUCEADXLA-LJQANCHMSA-N 2 0 364.555 3.161 20 0 FGADRP C[NH+](C)CC[C@H](NC(=O)N1CCC[C@H]1C[NH+]1CCCCC1)C(C)(C)C ZINC000116565990 494817879 /nfs/dbraw/zinc/81/78/79/494817879.db2.gz VVYFHGXFOXVUDJ-ROUUACIJSA-N 2 0 352.567 3.013 20 0 FGADRP O[C@H](COc1ccc(F)cc1)C[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000121628465 494825218 /nfs/dbraw/zinc/82/52/18/494825218.db2.gz JDDZNQODYWMIJX-FQEVSTJZSA-N 2 0 364.505 3.153 20 0 FGADRP C[C@@H]([NH2+][C@@H]1CCCc2c1cnn2C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000126770236 494835928 /nfs/dbraw/zinc/83/59/28/494835928.db2.gz IEIMIBGAUJOTRR-DNVCBOLYSA-N 2 0 371.504 3.039 20 0 FGADRP Cc1cc2c(cc1C)[C@H]([NH2+]C[C@H](C(C)C)N1CC[NH+](C)CC1)CCCO2 ZINC000132489286 494882483 /nfs/dbraw/zinc/88/24/83/494882483.db2.gz ZTRINBDUJCKTLS-NHCUHLMSSA-N 2 0 359.558 3.379 20 0 FGADRP CC[NH+]1CCN(CCC[NH2+][C@H]2CCCOc3c(C)cc(Cl)cc32)CC1 ZINC000121904110 494885710 /nfs/dbraw/zinc/88/57/10/494885710.db2.gz DGDRTCWIIKULTC-IBGZPJMESA-N 2 0 365.949 3.479 20 0 FGADRP Cc1cc(C)c2c(c1)[C@@H]([NH2+]C[C@H](C(C)C)N1CC[NH+](C)CC1)CCCO2 ZINC000132536157 494889851 /nfs/dbraw/zinc/88/98/51/494889851.db2.gz HEBXZHNPRYDQCK-LEWJYISDSA-N 2 0 359.558 3.379 20 0 FGADRP C[C@@H](C(=O)N1CCC(CCC[NH+](C)C)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000132552890 494891706 /nfs/dbraw/zinc/89/17/06/494891706.db2.gz GSQLUVMLTRVTMY-SFHVURJKSA-N 2 0 357.542 3.014 20 0 FGADRP c1csc(-c2n[nH]cc2C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)c1 ZINC000093734988 494915000 /nfs/dbraw/zinc/91/50/00/494915000.db2.gz NCRFDLGKVREDQH-UHFFFAOYSA-N 2 0 360.527 3.215 20 0 FGADRP COCC[N@H+](C)CCCC1CC[NH+](Cc2c(C)nc3ccccn32)CC1 ZINC000122103414 494923736 /nfs/dbraw/zinc/92/37/36/494923736.db2.gz WIIOLCFOGXEACZ-UHFFFAOYSA-N 2 0 358.530 3.213 20 0 FGADRP C[NH+](C)CCCOc1cnccc1C[NH2+][C@@H]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000577557014 505751436 /nfs/dbraw/zinc/75/14/36/505751436.db2.gz RJIOCLNHMQONSJ-DFQSSKMNSA-N 2 0 361.530 3.097 20 0 FGADRP OC[C@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21)Cc1ccco1 ZINC000571514003 505751732 /nfs/dbraw/zinc/75/17/32/505751732.db2.gz MHTPPQAZZACBTH-IZBOUPIGSA-N 2 0 368.521 3.463 20 0 FGADRP C[C@@H]([NH2+]Cc1ccccc1OCC[NH+](C)C)c1ccc([S@](C)=O)cc1 ZINC000122360651 494963604 /nfs/dbraw/zinc/96/36/04/494963604.db2.gz WQDTUEPVENYSCM-PUAOIOHZSA-N 2 0 360.523 3.215 20 0 FGADRP C[C@H](C[NH2+][C@H]1CCCSc2ccc(Cl)cc21)N1CC[NH+](C)CC1 ZINC000127647127 494975627 /nfs/dbraw/zinc/97/56/27/494975627.db2.gz HARSDLAJLUKTQT-PBHICJAKSA-N 2 0 353.963 3.493 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)[C@H](C)C1 ZINC000127748174 494991890 /nfs/dbraw/zinc/99/18/90/494991890.db2.gz DAIZZPHYCUPGDH-GIVPXCGWSA-N 2 0 372.557 3.195 20 0 FGADRP C[C@H](CNC(=O)NC1CCC([NH+]2CCC(C)CC2)CC1)C[NH+]1CCCC1 ZINC000122658405 495010538 /nfs/dbraw/zinc/01/05/38/495010538.db2.gz GLMJSXPXIVFCEH-XEVCZEQESA-N 2 0 364.578 3.061 20 0 FGADRP C[C@@H](CCCOc1ccccc1C(N)=O)[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000122925456 495054106 /nfs/dbraw/zinc/05/41/06/495054106.db2.gz CKFATNUEIGYTQZ-KRWDZBQOSA-N 2 0 373.541 3.330 20 0 FGADRP C[N@@H+]1CCCN(CCC[NH2+][C@@H]2CCc3cc(Br)ccc32)CC1 ZINC000128265208 495069529 /nfs/dbraw/zinc/06/95/29/495069529.db2.gz IJBMSNSNMDQMIR-GOSISDBHSA-N 2 0 366.347 3.054 20 0 FGADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)NCc2cccc(C[NH+]3CCCC3)c2)[C@H](C)C1 ZINC000128270205 495070471 /nfs/dbraw/zinc/07/04/71/495070471.db2.gz SFJVDPKVGJDYMX-WIYYLYMNSA-N 2 0 372.557 3.154 20 0 FGADRP C[C@@H]([NH2+]CCCN1CCC[N@H+](C)CC1)[C@@H](C)c1nc2ccccc2s1 ZINC000128411411 495092543 /nfs/dbraw/zinc/09/25/43/495092543.db2.gz JKZSOPLZLMPPKQ-IAGOWNOFSA-N 2 0 360.571 3.406 20 0 FGADRP CC[N@@H+]1CCCC[C@H]1C(=O)Nc1cccc(N2CC[NH+](C(C)C)CC2)c1 ZINC000123190335 495093836 /nfs/dbraw/zinc/09/38/36/495093836.db2.gz JEWVPEHMJFZGHK-FQEVSTJZSA-N 2 0 358.530 3.030 20 0 FGADRP CCC(CC)[C@H](CNC(=O)N1CCC([NH2+]C(C)C)CC1)[NH+]1CCCC1 ZINC000111812256 495114882 /nfs/dbraw/zinc/11/48/82/495114882.db2.gz QGZJCUPUWUEENR-IBGZPJMESA-N 2 0 352.567 3.059 20 0 FGADRP CCC[NH+]1CCC(N(C)C(=O)NCC(C)(C)[N@@H+]2CCC[C@H](CC)C2)CC1 ZINC000111881076 495124870 /nfs/dbraw/zinc/12/48/70/495124870.db2.gz WDNWZHDBIFBVJC-SFHVURJKSA-N 2 0 366.594 3.403 20 0 FGADRP Cc1ccc2c(C[N@H+]3CCC[C@H](Cc4nccn4C)C3)cc(=O)oc2c1 ZINC000123673482 495169462 /nfs/dbraw/zinc/16/94/62/495169462.db2.gz LKHXSNYLZFLNFT-MRXNPFEDSA-N 2 0 351.450 3.290 20 0 FGADRP Cc1ccc([C@H](CNC(=O)C[C@@H]([NH3+])c2ccccc2)[NH+]2CCCC2)cc1 ZINC000119581251 495194804 /nfs/dbraw/zinc/19/48/04/495194804.db2.gz OFTFNCWJJYMIAG-RTWAWAEBSA-N 2 0 351.494 3.338 20 0 FGADRP Cc1cccc(C)c1OCCC[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000119611760 495201395 /nfs/dbraw/zinc/20/13/95/495201395.db2.gz UVXDJUJCGBRUOS-CBQGHPETSA-N 2 0 371.569 3.315 20 0 FGADRP C[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1)c1ccc(F)cc1 ZINC000112545872 495204468 /nfs/dbraw/zinc/20/44/68/495204468.db2.gz UVTRNGCKCLXNOJ-UZLBHIALSA-N 2 0 369.484 3.374 20 0 FGADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH+]2Cc2ccccc2)C1 ZINC000124197336 495249526 /nfs/dbraw/zinc/24/95/26/495249526.db2.gz KWYAFTINXINSQT-RTWAWAEBSA-N 2 0 357.542 3.135 20 0 FGADRP CCCC[N@H+](C)C[C@@H](C)NC(=O)c1ccc(N2CC[NH+](C(C)C)CC2)cc1 ZINC000580492495 505770144 /nfs/dbraw/zinc/77/01/44/505770144.db2.gz JDTSKNPNBQNCFJ-LJQANCHMSA-N 2 0 374.573 3.067 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)N[C@@H]2CC[NH2+][C@H](C)C2)C1 ZINC000574425944 505770386 /nfs/dbraw/zinc/77/03/86/505770386.db2.gz DFHYRRCDSGFMDF-BMQTXXJKSA-N 2 0 372.557 3.104 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1cccc(Cl)c1 ZINC000129855984 495305588 /nfs/dbraw/zinc/30/55/88/495305588.db2.gz YONVODPQMDIMJT-KRWDZBQOSA-N 2 0 352.910 3.220 20 0 FGADRP CC1CC[NH+](Cc2cccc(CNC(=O)N3CC[C@H](C[NH+](C)C)C3)c2)CC1 ZINC000129875210 495309165 /nfs/dbraw/zinc/30/91/65/495309165.db2.gz LIOSPVFBACDWMV-OAQYLSRUSA-N 2 0 372.557 3.012 20 0 FGADRP C[NH+](C)Cc1ccc(C(=O)N2CCC[C@@H]([NH2+]Cc3ccccc3)C2)cc1 ZINC000130019567 495329253 /nfs/dbraw/zinc/32/92/53/495329253.db2.gz CDXNLYQMIFJOHI-OAQYLSRUSA-N 2 0 351.494 3.143 20 0 FGADRP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000105113071 495338074 /nfs/dbraw/zinc/33/80/74/495338074.db2.gz HPDCILBTUXGVRD-RXVVDRJESA-N 2 0 372.557 3.297 20 0 FGADRP CC1CC[NH+]([C@@H](CNC(=O)NCC2CC[NH+](C)CC2)c2ccccc2)CC1 ZINC000105173625 495342683 /nfs/dbraw/zinc/34/26/83/495342683.db2.gz KEMHCLAWNFVVKF-NRFANRHFSA-N 2 0 372.557 3.101 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1)c1ccco1 ZINC000105198895 495344787 /nfs/dbraw/zinc/34/47/87/495344787.db2.gz MPOHUBYYIULLPX-ROUUACIJSA-N 2 0 364.534 3.082 20 0 FGADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)NCCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000574450047 505776195 /nfs/dbraw/zinc/77/61/95/505776195.db2.gz CHCBPDYMMUYNLG-RTBURBONSA-N 2 0 374.573 3.146 20 0 FGADRP Cc1nc(CC[NH+]2CCC(CC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)cs1 ZINC000125084055 495388862 /nfs/dbraw/zinc/38/88/62/495388862.db2.gz KQMZSCRSQPOZRN-HOTGVXAUSA-N 2 0 351.560 3.205 20 0 FGADRP CC[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)c1ccc2c(c1)CCO2 ZINC000130490677 495400299 /nfs/dbraw/zinc/40/02/99/495400299.db2.gz VMWKSEAQDIEVSK-HXUWFJFHSA-N 2 0 366.509 3.009 20 0 FGADRP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)NC[C@@H]2CCC[NH+]2Cc2ccccc2)C1 ZINC000114829745 495432831 /nfs/dbraw/zinc/43/28/31/495432831.db2.gz XTJYAVAIHWFAQM-SFTDATJTSA-N 2 0 372.557 3.071 20 0 FGADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)NC[C@@H]2CCC[NH+]2Cc2ccccc2)C1 ZINC000114829743 495432889 /nfs/dbraw/zinc/43/28/89/495432889.db2.gz XTJYAVAIHWFAQM-RTWAWAEBSA-N 2 0 372.557 3.071 20 0 FGADRP Cc1ccc([C@H](CNC(=O)NC[C@@H]2CC[N@@H+](C(C)C)C2)[NH+]2CCCC2)cc1 ZINC000139782429 495483322 /nfs/dbraw/zinc/48/33/22/495483322.db2.gz MJBSHQZUABIRON-FPOVZHCZSA-N 2 0 372.557 3.161 20 0 FGADRP Cc1nc(-c2cccnc2)sc1[C@@H](C)[NH2+]C[C@H](C)CN1CC[NH+](C)CC1 ZINC000120958821 495492169 /nfs/dbraw/zinc/49/21/69/495492169.db2.gz INQXTNZCUKHFKI-JKSUJKDBSA-N 2 0 373.570 3.048 20 0 FGADRP Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+]C[C@H](C)CN1CC[NH+](C)CC1 ZINC000121001963 495500540 /nfs/dbraw/zinc/50/05/40/495500540.db2.gz PTMBQKGASDYVJL-GJZGRUSLSA-N 2 0 352.592 3.283 20 0 FGADRP CCC[NH+]1CCC(NC(=O)NC[C@@H](c2ccccc2)[NH+](CC)CC)CC1 ZINC000107326790 495525236 /nfs/dbraw/zinc/52/52/36/495525236.db2.gz BVZSEWZHOAPHGR-FQEVSTJZSA-N 2 0 360.546 3.243 20 0 FGADRP CC[N@H+](C)Cc1cccc(C[NH2+][C@@H](C)CS(=O)(=O)c2ccc(C)cc2)c1 ZINC000185352587 495544474 /nfs/dbraw/zinc/54/44/74/495544474.db2.gz RPPYETKRRLBZMQ-SFHVURJKSA-N 2 0 374.550 3.399 20 0 FGADRP CN(CCC[NH+](C)C)C(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000185360401 495547981 /nfs/dbraw/zinc/54/79/81/495547981.db2.gz DJUWNVHALXZGKX-SFHVURJKSA-N 2 0 366.937 3.070 20 0 FGADRP C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]CCC[NH+]1CCCC1 ZINC000170682915 495563738 /nfs/dbraw/zinc/56/37/38/495563738.db2.gz CIIQUUQRJVEPDJ-AWEZNQCLSA-N 2 0 357.420 3.498 20 0 FGADRP C[C@@H](CNC(=O)C1CC[NH+](Cc2ccccc2)CC1)[N@@H+]1CCCC[C@@H]1C ZINC000148016312 495580670 /nfs/dbraw/zinc/58/06/70/495580670.db2.gz DPOFQYFIMCXNRY-OALUTQOASA-N 2 0 357.542 3.278 20 0 FGADRP C[N@@H+]1CCC[C@H]2CN(Cc3cc4c(cc3Br)OCO4)CC[C@@H]21 ZINC000158863301 495603198 /nfs/dbraw/zinc/60/31/98/495603198.db2.gz LWTFRNXTFBIGKU-WFASDCNBSA-N 2 0 367.287 3.094 20 0 FGADRP CC(C)[NH+](CCNC(=O)NCC1CC[NH+](Cc2ccccc2)CC1)C(C)C ZINC000150127546 495606269 /nfs/dbraw/zinc/60/62/69/495606269.db2.gz DXKFOSCDDMCMLE-UHFFFAOYSA-N 2 0 374.573 3.317 20 0 FGADRP C[N@@H+]1CCC[C@@H]2CN(CC(=O)Nc3cccc(C(F)(F)F)c3)CC[C@@H]21 ZINC000158903746 495612502 /nfs/dbraw/zinc/61/25/02/495612502.db2.gz BXRPETHYXBIOJO-CJNGLKHVSA-N 2 0 355.404 3.060 20 0 FGADRP Cc1ccc(-n2ccnc2)c(C(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)c1 ZINC000150754830 495622750 /nfs/dbraw/zinc/62/27/50/495622750.db2.gz MSNMVXHIHWHXRW-SFHVURJKSA-N 2 0 352.482 3.271 20 0 FGADRP C[C@H]([NH2+]Cc1cccc(OCC[N@H+](C)C2CCOCC2)c1)c1ccccn1 ZINC000158983395 495629977 /nfs/dbraw/zinc/62/99/77/495629977.db2.gz KCZLMFAAOOKGJM-SFHVURJKSA-N 2 0 369.509 3.422 20 0 FGADRP O=C(C[N@@H+]1CCC[C@@H]1C1CCC1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000170872474 495635197 /nfs/dbraw/zinc/63/51/97/495635197.db2.gz MAEWLPIOCPYYML-OAQYLSRUSA-N 2 0 355.526 3.163 20 0 FGADRP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@@H]2C2CCC2)CC1 ZINC000170872476 495635627 /nfs/dbraw/zinc/63/56/27/495635627.db2.gz BYONFNLXPWUJLS-JOCHJYFZSA-N 2 0 369.553 3.340 20 0 FGADRP O=C(C[N@@H+]1CCC[C@H]1C1CCC1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000170872475 495636053 /nfs/dbraw/zinc/63/60/53/495636053.db2.gz MAEWLPIOCPYYML-NRFANRHFSA-N 2 0 355.526 3.163 20 0 FGADRP CC[C@@H]([NH2+]CCCC[NH+]1CCN(c2ccccc2)CC1)c1nccn1C ZINC000182623041 495639968 /nfs/dbraw/zinc/63/99/68/495639968.db2.gz LPDHSTXHTAEWDE-HXUWFJFHSA-N 2 0 355.530 3.063 20 0 FGADRP CC1CC[NH+](C[C@@H]2CCCN(C(=O)NCCC[NH+]3CCCCC3)C2)CC1 ZINC000170886166 495641108 /nfs/dbraw/zinc/64/11/08/495641108.db2.gz OKIPMCYLVUEPQM-FQEVSTJZSA-N 2 0 364.578 3.016 20 0 FGADRP CC(C)CN(CC[NH+](C)C)C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000176487464 495668918 /nfs/dbraw/zinc/66/89/18/495668918.db2.gz MEZFOMVDASGWRQ-UHFFFAOYSA-N 2 0 352.567 3.013 20 0 FGADRP C[C@H]1C[C@H](NC(=O)NCc2ccccc2C[NH+]2CCCCC2)C[N@@H+]1C1CC1 ZINC000154629232 495677051 /nfs/dbraw/zinc/67/70/51/495677051.db2.gz MPAHTIYHRDNKKW-PXNSSMCTSA-N 2 0 370.541 3.097 20 0 FGADRP C[C@H]([NH2+]CCCOc1ccc2c(c1)OCO2)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185680643 495677087 /nfs/dbraw/zinc/67/70/87/495677087.db2.gz BVOAFKKAHKCWBR-IRXDYDNUSA-N 2 0 360.498 3.427 20 0 FGADRP CC[NH+](CC)CCCC1CC[NH+](CCC(=O)Nc2cc(C)on2)CC1 ZINC000182776960 495698765 /nfs/dbraw/zinc/69/87/65/495698765.db2.gz MSBGSOQNMPCQKJ-UHFFFAOYSA-N 2 0 350.507 3.146 20 0 FGADRP CCCC[N@H+](C)CC1CCN(C(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000176571813 495704222 /nfs/dbraw/zinc/70/42/22/495704222.db2.gz CLIIRWFWFGKLMN-OALUTQOASA-N 2 0 352.567 3.013 20 0 FGADRP O=C(NCCC[NH+]1CCCCC1)C1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000159334397 495711629 /nfs/dbraw/zinc/71/16/29/495711629.db2.gz NCTKAENJRHYBDI-UHFFFAOYSA-N 2 0 361.505 3.030 20 0 FGADRP C[C@@H]([NH2+]Cc1ccc(N2CCCC2)nc1)c1cccc(OCC[NH+](C)C)c1 ZINC000151039986 495719073 /nfs/dbraw/zinc/71/90/73/495719073.db2.gz OCAYHLBLTLUMPO-GOSISDBHSA-N 2 0 368.525 3.473 20 0 FGADRP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)N(Cc2ccccc2)C2CC[NH+](C)CC2)C1 ZINC000176611259 495720159 /nfs/dbraw/zinc/72/01/59/495720159.db2.gz NEURQADTXBDVRC-PZJWPPBQSA-N 2 0 372.557 3.165 20 0 FGADRP CCC[NH+]1CCC(N(C)C(=O)N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)CC1 ZINC000182874762 495737388 /nfs/dbraw/zinc/73/73/88/495737388.db2.gz GPGGGJMGDATCJS-ZWKOTPCHSA-N 2 0 364.578 3.155 20 0 FGADRP COCCN1CCC([NH2+][C@@H](C)c2ccc(F)c(Br)c2)CC1 ZINC000154825275 495739548 /nfs/dbraw/zinc/73/95/48/495739548.db2.gz NKAFQNRHAADXJT-LBPRGKRZSA-N 2 0 359.283 3.350 20 0 FGADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1ccc(OC(F)F)c(Cl)c1 ZINC000185876650 495760678 /nfs/dbraw/zinc/76/06/78/495760678.db2.gz KVZNEZJOGNZDPL-ZDUSSCGKSA-N 2 0 361.864 3.057 20 0 FGADRP C[C@@H](NC(=O)NCCC[NH2+]C1CCCCC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182954999 495773144 /nfs/dbraw/zinc/77/31/44/495773144.db2.gz JTTVTXHLCZYAPT-MSOLQXFVSA-N 2 0 364.578 3.251 20 0 FGADRP Cn1cc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)c(C2CCCCC2)n1 ZINC000182988772 495787290 /nfs/dbraw/zinc/78/72/90/495787290.db2.gz YVHQTKLOBVPMQE-UHFFFAOYSA-N 2 0 360.546 3.012 20 0 FGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cccc(Cn3ccnc3)c2)[C@H](C)C1 ZINC000151325819 495805847 /nfs/dbraw/zinc/80/58/47/495805847.db2.gz JALXNBKARLUSJU-DENIHFKCSA-N 2 0 370.541 3.158 20 0 FGADRP Cc1nc(-c2ccccc2)sc1[C@H](C)[NH2+][C@@H](C)CN1CC[NH+](C)CC1 ZINC000155071080 495824514 /nfs/dbraw/zinc/82/45/14/495824514.db2.gz YPEJCQYWQXESGN-HOTGVXAUSA-N 2 0 358.555 3.405 20 0 FGADRP CCC(CC)[C@H](CNC(=O)N1CC[C@@H](C[NH+]2CCCC2)C1)[NH+]1CCCC1 ZINC000174142171 495835117 /nfs/dbraw/zinc/83/51/17/495835117.db2.gz AHGYHAQMTFLPRM-ICSRJNTNSA-N 2 0 364.578 3.014 20 0 FGADRP CCOc1ccc([C@@H](CC)[NH2+][C@@H](C)CN2CC[NH+](C)CC2)cc1OCC ZINC000155102757 495835947 /nfs/dbraw/zinc/83/59/47/495835947.db2.gz AACDTZUKPXDLJK-PKOBYXMFSA-N 2 0 363.546 3.161 20 0 FGADRP Cc1ccc([C@@H]([NH2+]Cc2cccnc2N2CC[NH+](C)CC2)C2CC2)cc1 ZINC000180057838 495840646 /nfs/dbraw/zinc/84/06/46/495840646.db2.gz FQQYKHVYECDRPT-OAQYLSRUSA-N 2 0 350.510 3.383 20 0 FGADRP Cc1ccc2c(c1)[C@H]([NH2+]Cc1ccnc(N3CC[NH+](C)CC3)c1)[C@H](C)C2 ZINC000180138696 495875232 /nfs/dbraw/zinc/87/52/32/495875232.db2.gz HTOJBITWWCJNHW-VGOFRKELSA-N 2 0 350.510 3.165 20 0 FGADRP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2CC([NH2+][C@@H]2CCN(c4ccccn4)C2)C3)cc1 ZINC000180167630 495889908 /nfs/dbraw/zinc/88/99/08/495889908.db2.gz HHEFVXZJJJAXOS-XCSKNGGISA-N 2 0 362.521 3.446 20 0 FGADRP C[C@@H]1C[N@@H+](CCC2CC[NH+](Cc3cnn4ccccc34)CC2)C[C@H](C)O1 ZINC000180181836 495894962 /nfs/dbraw/zinc/89/49/62/495894962.db2.gz FDVZSSCVDWOGOW-HDICACEKSA-N 2 0 356.514 3.046 20 0 FGADRP C[C@H]1[C@@H](NC(=O)Nc2ccc3c(c2)C[NH2+]C3)CC[N@@H+]1Cc1ccccc1 ZINC000571772386 505812358 /nfs/dbraw/zinc/81/23/58/505812358.db2.gz QKVDHYHFADAGFZ-YWZLYKJASA-N 2 0 350.466 3.074 20 0 FGADRP Cc1ccc2c(c1)[C@@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)[C@H](C)C2 ZINC000180267010 495930055 /nfs/dbraw/zinc/93/00/55/495930055.db2.gz JWGTZABCVQOOCK-UTKZUKDTSA-N 2 0 350.510 3.165 20 0 FGADRP C[C@H]([NH2+]CCCN1CCCCCC1=O)c1ccc(OCC[NH+](C)C)cc1 ZINC000155478335 495968403 /nfs/dbraw/zinc/96/84/03/495968403.db2.gz ABZHBIPEONNVEO-SFHVURJKSA-N 2 0 361.530 3.070 20 0 FGADRP C[NH+](C)Cc1cccc(C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)c1 ZINC000155507925 495977276 /nfs/dbraw/zinc/97/72/76/495977276.db2.gz AZMPMZCERXLBFT-GOSISDBHSA-N 2 0 357.523 3.377 20 0 FGADRP O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000171677948 495985887 /nfs/dbraw/zinc/98/58/87/495985887.db2.gz VUKAFXCWYOTQPY-RBUKOAKNSA-N 2 0 374.529 3.076 20 0 FGADRP CC(C)[NH+]1CCC([NH2+]C[C@@H](CO)Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000180460204 496004818 /nfs/dbraw/zinc/00/48/18/496004818.db2.gz FQYFSRQSQBXQDS-INIZCTEOSA-N 2 0 374.447 3.199 20 0 FGADRP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+]2[C@H](C)CCC[C@@H]2C)CC1 ZINC000171741318 496016017 /nfs/dbraw/zinc/01/60/17/496016017.db2.gz DJOLOOVSUUEHJL-KDURUIRLSA-N 2 0 357.542 3.339 20 0 FGADRP COC(=O)COc1ccccc1[C@@H](C)[NH2+]Cc1ccc(F)c(C[NH+](C)C)c1 ZINC000183607895 496046845 /nfs/dbraw/zinc/04/68/45/496046845.db2.gz CBOWKPGCFCPIHH-OAHLLOKOSA-N 2 0 374.456 3.290 20 0 FGADRP C[C@H]([NH2+]CCN1CCC([NH+](C)C)CC1)c1ccc(Br)cc1 ZINC000177401248 496047781 /nfs/dbraw/zinc/04/77/81/496047781.db2.gz QCWJOXZUSLHRPI-AWEZNQCLSA-N 2 0 354.336 3.126 20 0 FGADRP COc1cc([C@@H](C)[NH2+][C@@H](C)CCN2CC[NH+](C)CC2)ccc1SC ZINC000186602831 496068629 /nfs/dbraw/zinc/06/86/29/496068629.db2.gz VGIREXLTGTVBHP-JKSUJKDBSA-N 2 0 351.560 3.094 20 0 FGADRP C[C@@H]([NH2+][C@@H](C)CCN1CC[NH+](C)CC1)c1cccc(Br)c1 ZINC000186604270 496068941 /nfs/dbraw/zinc/06/89/41/496068941.db2.gz PGLLMSQOMDXLQT-LSDHHAIUSA-N 2 0 354.336 3.126 20 0 FGADRP C[NH+](C)Cc1cc(C[NH2+]Cc2cncc(Br)c2)ccc1F ZINC000183710421 496088829 /nfs/dbraw/zinc/08/88/29/496088829.db2.gz VNPBCHXFWFFJOL-UHFFFAOYSA-N 2 0 352.251 3.335 20 0 FGADRP C[C@@H]([NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1)c1cccc2ccccc21 ZINC000568980187 505823301 /nfs/dbraw/zinc/82/33/01/505823301.db2.gz YJFHGIYTZDJZGX-MRXNPFEDSA-N 2 0 351.494 3.233 20 0 FGADRP CC[N@@H+]1CC[C@@H](N(C)CC(=O)Nc2cc(C)c(Cl)cc2OC)[C@H](C)C1 ZINC000174781169 496104101 /nfs/dbraw/zinc/10/41/01/496104101.db2.gz KDOCJDKORXASOS-RHSMWYFYSA-N 2 0 367.921 3.258 20 0 FGADRP Cn1cc(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)c(C(C)(C)C)n1 ZINC000180795836 496150517 /nfs/dbraw/zinc/15/05/17/496150517.db2.gz PWVSZYBATJWLFO-UHFFFAOYSA-N 2 0 362.562 3.042 20 0 FGADRP COc1cc(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)cc(OC)c1 ZINC000180797806 496150769 /nfs/dbraw/zinc/15/07/69/496150769.db2.gz GDLVHCOHGYQVTH-UHFFFAOYSA-N 2 0 362.514 3.028 20 0 FGADRP O=C(NCc1ccc(Cn2ccnc2)cc1)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000177674746 496155366 /nfs/dbraw/zinc/15/53/66/496155366.db2.gz ZVTOONCDFWTYBF-FQEVSTJZSA-N 2 0 366.509 3.202 20 0 FGADRP COc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]C1CC[NH+](CC2CC2)CC1)CC3 ZINC000184147554 496258142 /nfs/dbraw/zinc/25/81/42/496258142.db2.gz YJDMXNXFCATXPO-KRWDZBQOSA-N 2 0 353.510 3.498 20 0 FGADRP CC[NH+]1CCN(Cc2ccc(C[NH2+][C@@H](C)c3cncc(C)c3)cc2)CC1 ZINC000184282357 496318947 /nfs/dbraw/zinc/31/89/47/496318947.db2.gz JRCBGFYTEHRHPB-IBGZPJMESA-N 2 0 352.526 3.378 20 0 FGADRP C[NH+](C)[C@@H](CNC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1)c1cccs1 ZINC000172506976 496321722 /nfs/dbraw/zinc/32/17/22/496321722.db2.gz URCCXQVLTCPMAV-IRXDYDNUSA-N 2 0 364.559 3.011 20 0 FGADRP C[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000162384882 496347171 /nfs/dbraw/zinc/34/71/71/496347171.db2.gz JVJACXDRWUKBBQ-APWZRJJASA-N 2 0 361.555 3.342 20 0 FGADRP CC(C)[NH2+]C1CCN(CCCCC[NH+]2CCC([NH2+]C(C)C)CC2)CC1 ZINC000172654829 496376079 /nfs/dbraw/zinc/37/60/79/496376079.db2.gz AVYDJHHCBBXAJZ-UHFFFAOYSA-N 3 0 352.611 3.082 20 0 FGADRP C[C@@H]([NH2+]CCc1ccc2c(c1)CCO2)c1cccc(OCC[NH+](C)C)c1 ZINC000178233019 496379264 /nfs/dbraw/zinc/37/92/64/496379264.db2.gz LXGCISSUHSWLKN-QGZVFWFLSA-N 2 0 354.494 3.455 20 0 FGADRP C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)N2CC[NH2+]C(C)(C)C2)c1 ZINC000175442391 496393155 /nfs/dbraw/zinc/39/31/55/496393155.db2.gz NCULYZLRPWLRMP-UHFFFAOYSA-N 2 0 351.494 3.143 20 0 FGADRP COC(=O)[C@H](c1cccnc1)N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000157078220 496401364 /nfs/dbraw/zinc/40/13/64/496401364.db2.gz CTLUSEVMYQZEED-XLIONFOSSA-N 2 0 359.514 3.272 20 0 FGADRP CCO[C@H]1C[C@@H]([NH2+]CCCC[NH+]2CCN(CC)CC2)C12CCCCC2 ZINC000181493592 496418789 /nfs/dbraw/zinc/41/87/89/496418789.db2.gz UKLKEPALCIUXRW-UXHICEINSA-N 2 0 351.579 3.122 20 0 FGADRP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]Cc1ccc(C[NH+]2CCCC2)cc1 ZINC000162930629 496434861 /nfs/dbraw/zinc/43/48/61/496434861.db2.gz WNRCFBJEIIKGFZ-OIBXWCBGSA-N 3 0 371.569 3.261 20 0 FGADRP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000184553527 496435976 /nfs/dbraw/zinc/43/59/76/496435976.db2.gz MIKRGFRPUPYCIU-NRFANRHFSA-N 2 0 374.573 3.315 20 0 FGADRP C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)NC2CC[NH+](C3CCCC3)CC2)C1 ZINC000175607334 496461820 /nfs/dbraw/zinc/46/18/20/496461820.db2.gz WJVFJOCDFVIKAG-ROUUACIJSA-N 2 0 364.578 3.061 20 0 FGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]CCCOC(C)C)CC1 ZINC000181641604 496482430 /nfs/dbraw/zinc/48/24/30/496482430.db2.gz XFJYXEUTDMYSRT-QGZVFWFLSA-N 2 0 351.510 3.433 20 0 FGADRP CC[C@@]1(CO)CCC[N@H+](CCCCC[NH+]2CCC[C@](CC)(CO)C2)C1 ZINC000187547592 496485391 /nfs/dbraw/zinc/48/53/91/496485391.db2.gz HOMAUEJSXMHTON-OYRHEFFESA-N 2 0 354.579 3.126 20 0 FGADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc(S(=O)(=O)C3CCCC3)cc2)C1 ZINC000163310674 496496322 /nfs/dbraw/zinc/49/63/22/496496322.db2.gz HTKJYCXHNLXZDQ-DLBZAZTESA-N 2 0 364.555 3.395 20 0 FGADRP C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000175678582 496497514 /nfs/dbraw/zinc/49/75/14/496497514.db2.gz NRMCXXZMQUUWBI-KZNAEPCWSA-N 2 0 364.578 3.059 20 0 FGADRP COc1cccc2cc([C@@H](C)[NH2+]CC3CC[NH+](CCN(C)C)CC3)oc21 ZINC000181697714 496507518 /nfs/dbraw/zinc/50/75/18/496507518.db2.gz UNFXIZIXYCQJEZ-MRXNPFEDSA-N 2 0 359.514 3.366 20 0 FGADRP Cc1ccc([C@@H](C)[NH2+]CC2CC[NH+](CC(=O)NC(C)(C)C)CC2)s1 ZINC000163491544 496522388 /nfs/dbraw/zinc/52/23/88/496522388.db2.gz HPMOAHBXAXCHBO-OAHLLOKOSA-N 2 0 351.560 3.334 20 0 FGADRP CC(C)(C)NC(=O)C[NH+]1CCC(C[NH2+][C@H]2CCCc3sccc32)CC1 ZINC000163532062 496528282 /nfs/dbraw/zinc/52/82/82/496528282.db2.gz AUDCTTOJELMDNZ-KRWDZBQOSA-N 2 0 363.571 3.342 20 0 FGADRP C[C@H]([NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1)c1ccc(F)c(F)c1 ZINC000163545946 496530961 /nfs/dbraw/zinc/53/09/61/496530961.db2.gz CCXZLTPJAMUIRU-AWEZNQCLSA-N 2 0 367.484 3.242 20 0 FGADRP CCC[NH+]1CCC(CNC(=O)NCCC[N@H+](C)C2CCCCC2)CC1 ZINC000157746468 496544531 /nfs/dbraw/zinc/54/45/31/496544531.db2.gz ZEJZCAXPCWXRIF-UHFFFAOYSA-N 2 0 352.567 3.062 20 0 FGADRP C[NH+]1CCN(c2cc(C[NH2+][C@H]3CC[C@](C)(c4ccccc4)C3)ccn2)CC1 ZINC000187781334 496568846 /nfs/dbraw/zinc/56/88/46/496568846.db2.gz UWQUXKKSOUFKOP-GMAHTHKFSA-N 2 0 364.537 3.433 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc2[nH]ccc2c1 ZINC000175844353 496569705 /nfs/dbraw/zinc/56/97/05/496569705.db2.gz RGJQUANJEHMMMG-GOSISDBHSA-N 2 0 357.502 3.048 20 0 FGADRP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1)c1ccc2c(c1)CCO2 ZINC000178794425 496574042 /nfs/dbraw/zinc/57/40/42/496574042.db2.gz YNTDPIWIXXZGGG-KRWDZBQOSA-N 2 0 366.505 3.429 20 0 FGADRP C[NH+](C)Cc1cccc(C(=O)N2CCC(CCC[NH+]3CCCC3)CC2)c1 ZINC000153808751 496588044 /nfs/dbraw/zinc/58/80/44/496588044.db2.gz AXFSHAHULUCFCK-UHFFFAOYSA-N 2 0 357.542 3.476 20 0 FGADRP C[NH+]1CCN(c2ncccc2C[NH2+][C@H]2CC[C@@](C)(c3ccccc3)C2)CC1 ZINC000187856190 496597082 /nfs/dbraw/zinc/59/70/82/496597082.db2.gz RNTBVNOJMTVXPB-JTHBVZDNSA-N 2 0 364.537 3.433 20 0 FGADRP C[C@H]1C[NH+](CCC2CC[NH+](CCCC(=O)OC(C)(C)C)CC2)C[C@H](C)O1 ZINC000181967481 496616751 /nfs/dbraw/zinc/61/67/51/496616751.db2.gz ZOIZQPQZZWFNMU-ROUUACIJSA-N 2 0 368.562 3.320 20 0 FGADRP CC[N@H+](C)Cc1cccc(CNC(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)c1 ZINC000158109606 496629524 /nfs/dbraw/zinc/62/95/24/496629524.db2.gz XOSIIVKDAMQGCT-NRFANRHFSA-N 2 0 372.557 3.298 20 0 FGADRP C[C@H]([NH2+]CCCC[NH+]1CCC(C)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000158164079 496641824 /nfs/dbraw/zinc/64/18/24/496641824.db2.gz AETBLSPGUUWXEF-KRWDZBQOSA-N 2 0 352.544 3.253 20 0 FGADRP C[C@H](C[NH2+][C@H](C)c1ccc(OCc2nccn2C)cc1)C[NH+]1CCCC1 ZINC000165288140 496654880 /nfs/dbraw/zinc/65/48/80/496654880.db2.gz WNXQLUMQMSAILT-QZTJIDSGSA-N 2 0 356.514 3.382 20 0 FGADRP COC[C@H](Cc1ccccc1)[NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000165316629 496655379 /nfs/dbraw/zinc/65/53/79/496655379.db2.gz SBKKNZRJWOKNDH-PKTZIBPZSA-N 2 0 352.522 3.398 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)c2coc(C[NH3+])c2)C1 ZINC000188068528 496669900 /nfs/dbraw/zinc/66/99/00/496669900.db2.gz HBCUYULQKQPEFE-IYBDPMFKSA-N 2 0 355.482 3.146 20 0 FGADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H](C)c1ccc(OC)c(Br)c1 ZINC000165929520 496673250 /nfs/dbraw/zinc/67/32/50/496673250.db2.gz WWQCJXFSACWDQZ-HIFRSBDPSA-N 2 0 373.335 3.465 20 0 FGADRP O=C(NC[C@@H]1CCC[N@@H+]1C1CCCCC1)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000580881567 505859378 /nfs/dbraw/zinc/85/93/78/505859378.db2.gz UOWAFCLVXSHPFD-KRWDZBQOSA-N 2 0 374.504 3.390 20 0 FGADRP CC[NH+](CC)C[C@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2)C1 ZINC000173422391 496686476 /nfs/dbraw/zinc/68/64/76/496686476.db2.gz DHZJORUGURJMMD-RTWAWAEBSA-N 2 0 357.542 3.231 20 0 FGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000166506897 496687792 /nfs/dbraw/zinc/68/77/92/496687792.db2.gz VVULJLDURUCGMH-MISYRCLQSA-N 2 0 374.548 3.245 20 0 FGADRP c1ccc(C[NH+]2CCC(OCCC[NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)CC2)cc1 ZINC000166772862 496692788 /nfs/dbraw/zinc/69/27/88/496692788.db2.gz POSCQAJXTOZTFP-FGZHOGPDSA-N 3 0 371.569 3.274 20 0 FGADRP C[C@H](Cc1ccc(Br)cc1)[NH2+]CCCC[NH+]1CCOCC1 ZINC000188126576 496693726 /nfs/dbraw/zinc/69/37/26/496693726.db2.gz KQQRBOIUCIABAI-OAHLLOKOSA-N 2 0 355.320 3.082 20 0 FGADRP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)N[C@@H](C[NH3+])c1ccc2ccccc2c1 ZINC000580882058 505860092 /nfs/dbraw/zinc/86/00/92/505860092.db2.gz JAIOHGXTFFMBHQ-RTWAWAEBSA-N 2 0 368.525 3.355 20 0 FGADRP C[NH+]1CCC(CCNC(=O)N(Cc2ccccc2)C2CC[NH+](C)CC2)CC1 ZINC000176128141 496695823 /nfs/dbraw/zinc/69/58/23/496695823.db2.gz MLKCCDNPNXZURY-UHFFFAOYSA-N 2 0 372.557 3.024 20 0 FGADRP C[C@H]([NH2+][C@@H]1CCN(c2ncccc2F)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000168118866 496708684 /nfs/dbraw/zinc/70/86/84/496708684.db2.gz RPOMZDQRAWRVLF-FUHWJXTLSA-N 2 0 372.488 3.091 20 0 FGADRP C[C@@H](CCNC(=O)c1oc2ccccc2c1C[NH+](C)C)[NH+]1CCCCC1 ZINC000182239245 496718259 /nfs/dbraw/zinc/71/82/59/496718259.db2.gz OIJGYBPKXIDIKW-INIZCTEOSA-N 2 0 357.498 3.489 20 0 FGADRP COc1ccc([C@@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CC[C@H](O)C2)c(OC)c1 ZINC000182261272 496722422 /nfs/dbraw/zinc/72/24/22/496722422.db2.gz NQPVUBGOHVCBTQ-APWZRJJASA-N 2 0 370.493 3.121 20 0 FGADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N[C@@H]2CC[NH+](C)[C@@H]2c2ccccc2)C1 ZINC000179263271 496722568 /nfs/dbraw/zinc/72/25/68/496722568.db2.gz APLNWQAHUUAZEA-HMXCVIKNSA-N 2 0 372.557 3.099 20 0 FGADRP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1ccccc1N(C)C ZINC000182273180 496724318 /nfs/dbraw/zinc/72/43/18/496724318.db2.gz GBSTXZGQISLZAM-XLIONFOSSA-N 2 0 353.510 3.170 20 0 FGADRP COc1cc(Cl)c(C)cc1NC(=O)CC[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000246959550 496736021 /nfs/dbraw/zinc/73/60/21/496736021.db2.gz HTDXBVAICWYVMR-UONOGXRCSA-N 2 0 353.894 3.058 20 0 FGADRP CC[NH+](CC)CCOc1ccc(C[NH2+]C2CCC(OC)CC2)cc1OC ZINC000273213402 496742156 /nfs/dbraw/zinc/74/21/56/496742156.db2.gz UFLFTJYHUHMMEJ-UHFFFAOYSA-N 2 0 364.530 3.463 20 0 FGADRP Cc1c([C@H](C)[NH2+]Cc2ccnc(OCC[NH+](C)C)c2)cnn1C(C)(C)C ZINC000191400846 496750244 /nfs/dbraw/zinc/75/02/44/496750244.db2.gz KXZUMPPMGNCNOB-HNNXBMFYSA-N 2 0 359.518 3.133 20 0 FGADRP COc1ccc(Cl)cc1N1CC[C@H]([NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)C1 ZINC000247061965 496767202 /nfs/dbraw/zinc/76/72/02/496767202.db2.gz PONDWBPJYRNQDB-HDEZJCGLSA-N 2 0 351.922 3.246 20 0 FGADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H](C)c1ccc(S(C)(=O)=O)c(OC)c1 ZINC000268727361 496767278 /nfs/dbraw/zinc/76/72/78/496767278.db2.gz KJRJDRIOUOAUMY-HOTGVXAUSA-N 2 0 370.559 3.260 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+][C@H]2CCN(Cc3ccccn3)C[C@@H]2C)C1 ZINC000247059888 496767612 /nfs/dbraw/zinc/76/76/12/496767612.db2.gz NSUJBXLGGBIWBB-IIZPIQPGSA-N 2 0 358.574 3.250 20 0 FGADRP CC(C)[NH+]1CCN(CCC[N@H+](C)CCCOc2cccc(Cl)c2)CC1 ZINC000191456995 496769155 /nfs/dbraw/zinc/76/91/55/496769155.db2.gz HGVCYVNPYPHGGM-UHFFFAOYSA-N 2 0 367.965 3.457 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCc1nnc2n1CCCCC2 ZINC000268748621 496772903 /nfs/dbraw/zinc/77/29/03/496772903.db2.gz ISLSTFOLDCLMII-UYAOXDASSA-N 2 0 367.541 3.047 20 0 FGADRP C[C@@H](C[NH2+][C@@H](C)[C@H](C)Oc1ccc(Cl)cc1Cl)N1CC[NH+](C)CC1 ZINC000247095476 496777290 /nfs/dbraw/zinc/77/72/90/496777290.db2.gz RYMIUEFFMZPPAJ-KKUMJFAQSA-N 2 0 374.356 3.375 20 0 FGADRP C[C@H]([NH2+]Cc1cccc(C(=O)N(C)C)c1)c1cccc(OCC[NH+](C)C)c1 ZINC000268786147 496785836 /nfs/dbraw/zinc/78/58/36/496785836.db2.gz ZYLBLCUYIVOMPI-KRWDZBQOSA-N 2 0 369.509 3.180 20 0 FGADRP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccc(OCCOC)c(OC)c2)C1 ZINC000268822936 496795709 /nfs/dbraw/zinc/79/57/09/496795709.db2.gz IAROOUYYSWSNIM-SJORKVTESA-N 2 0 350.503 3.103 20 0 FGADRP C[C@@H]1CN(Cc2ccccn2)CC[C@H]1[NH2+]C[C@H]1CCN(c2ccccc2)C1 ZINC000247247879 496815337 /nfs/dbraw/zinc/81/53/37/496815337.db2.gz ZJXKYAUPDIHJQU-TXTKFYIRSA-N 2 0 364.537 3.408 20 0 FGADRP CCN(CC)C(=O)C[C@H](C)[NH2+]C1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC000247248704 496815545 /nfs/dbraw/zinc/81/55/45/496815545.db2.gz YFFNUJACTHANBG-QRVBRYPASA-N 2 0 359.558 3.380 20 0 FGADRP CC[C@H](C(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1)[N@H+](C)Cc1ccccc1 ZINC000574850095 505868123 /nfs/dbraw/zinc/86/81/23/505868123.db2.gz HBDAZBRCWQTNTA-LEWJYISDSA-N 2 0 357.542 3.087 20 0 FGADRP Cc1cccc(C[C@@H](CO)[NH2+][C@@H](C)c2cccc(OCC[NH+](C)C)c2)c1 ZINC000191602845 496828006 /nfs/dbraw/zinc/82/80/06/496828006.db2.gz OTZGYVQCDSFCBK-RXVVDRJESA-N 2 0 356.510 3.190 20 0 FGADRP Cc1nc(Cc2ccccc2)sc1[C@@H](C)[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000268950333 496831821 /nfs/dbraw/zinc/83/18/21/496831821.db2.gz CGBWOILZVTYICS-OAHLLOKOSA-N 2 0 359.539 3.150 20 0 FGADRP C[C@@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1ccc(OCc2ccccc2)cc1 ZINC000268985045 496842619 /nfs/dbraw/zinc/84/26/19/496842619.db2.gz LHMJMSONRZLYBL-GOSISDBHSA-N 2 0 354.494 3.373 20 0 FGADRP C[C@@H]([NH2+]C[C@H](CCO)c1ccccc1)c1cccc(OCC[NH+](C)C)c1 ZINC000268993711 496844484 /nfs/dbraw/zinc/84/44/84/496844484.db2.gz NELJUZCSCDWSAD-NQIIRXRSSA-N 2 0 356.510 3.444 20 0 FGADRP CC[C@H](C)[N@H+](C)CCNC(=O)N(C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000247432328 496858388 /nfs/dbraw/zinc/85/83/88/496858388.db2.gz WQEBATIQTAYKMR-IRFCIJBXSA-N 2 0 374.573 3.411 20 0 FGADRP Cc1ccc(OC[C@H](O)C[N@@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)cc1 ZINC000247644811 496899608 /nfs/dbraw/zinc/89/96/08/496899608.db2.gz UFONDRQFNPFCHN-FGZHOGPDSA-N 2 0 368.521 3.189 20 0 FGADRP COc1ccc([C@H](CNC(=O)CCCCCC[NH3+])[NH+]2CCCCC2)cc1 ZINC000269230564 496899794 /nfs/dbraw/zinc/89/97/94/496899794.db2.gz HLIVNBILHYTSES-FQEVSTJZSA-N 2 0 361.530 3.248 20 0 FGADRP O=C(C[N@@H+]1CCC[C@H]2CCC[C@H]21)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000247685681 496905078 /nfs/dbraw/zinc/90/50/78/496905078.db2.gz UXIOPJMGQJDCCY-NHCUHLMSSA-N 2 0 355.526 3.163 20 0 FGADRP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)c1ccc(F)cc1OC(F)F ZINC000247956317 496932424 /nfs/dbraw/zinc/93/24/24/496932424.db2.gz FQKISABHCIMPIK-ZFWWWQNUSA-N 2 0 360.420 3.315 20 0 FGADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H]1C[C@@H](C)c2c1cccc2Br ZINC000247986008 496938367 /nfs/dbraw/zinc/93/83/67/496938367.db2.gz IUQQWSIOJDMWTO-CPUCHLNUSA-N 2 0 366.347 3.223 20 0 FGADRP CCN(C)[C@@H](C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000248054964 496949001 /nfs/dbraw/zinc/94/90/01/496949001.db2.gz YBKMQKMFLDKFJZ-FCHUYYIVSA-N 2 0 365.521 3.460 20 0 FGADRP C[N@@H+]1CC[C@H](NC(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)[C@H]1c1ccccc1 ZINC000248074729 496952923 /nfs/dbraw/zinc/95/29/23/496952923.db2.gz QXKCZTLTOSSMTP-QHAWAJNXSA-N 2 0 370.541 3.092 20 0 FGADRP C[C@@H](CNC(=O)NCCC[N@H+](C)C1CCCCC1)[NH+]1CCC[C@@H](C)C1 ZINC000195606598 496953617 /nfs/dbraw/zinc/95/36/17/496953617.db2.gz FOIQZIAMONSGDK-MSOLQXFVSA-N 2 0 352.567 3.061 20 0 FGADRP C[C@H]([NH2+]C1(CN[C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)CCOCC1)c1ccccc1 ZINC000248158675 496965651 /nfs/dbraw/zinc/96/56/51/496965651.db2.gz RTLXWWHRCSXNDI-VNYTWHDVSA-N 2 0 359.558 3.205 20 0 FGADRP CC[C@H](C)NC(=O)CC[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000248408842 497000916 /nfs/dbraw/zinc/00/09/16/497000916.db2.gz VYFWVFOZMZFIJX-OYNPSCLESA-N 2 0 357.542 3.182 20 0 FGADRP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1CO)c1ccc2c(c1)OCO2 ZINC000248440805 497012659 /nfs/dbraw/zinc/01/26/59/497012659.db2.gz JTCCLLIKXOMJLO-UZLBHIALSA-N 2 0 368.477 3.223 20 0 FGADRP CC[NH+]1CCN([C@@H](C)C[NH2+]Cc2ccc(Br)c(Cl)c2)CC1 ZINC000192165919 497021070 /nfs/dbraw/zinc/02/10/70/497021070.db2.gz HNHBQYNPICXNNL-ZDUSSCGKSA-N 2 0 374.754 3.218 20 0 FGADRP CCN1CC[C@H](C[NH2+][C@@H]2CCCC[C@H]2S(=O)(=O)c2ccc(C)cc2)C1 ZINC000248529351 497030777 /nfs/dbraw/zinc/03/07/77/497030777.db2.gz WSZNJWCULOZPAB-MISYRCLQSA-N 2 0 364.555 3.011 20 0 FGADRP C(=C/C[NH+]1CCC([C@H]2CCCO2)CC1)\C[NH+]1CCC([C@H]2CCCO2)CC1 ZINC000189202867 497042443 /nfs/dbraw/zinc/04/24/43/497042443.db2.gz VYHCKJDPWCDPCH-HSMZSTHASA-N 2 0 362.558 3.325 20 0 FGADRP COc1cc(C)c([C@H](C)[NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)cc1OC ZINC000278352612 497083498 /nfs/dbraw/zinc/08/34/98/497083498.db2.gz AWOKRJVOIIRMND-SJORKVTESA-N 2 0 350.503 3.164 20 0 FGADRP Cc1nc(F)ccc1C[NH2+][C@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000278368289 497090742 /nfs/dbraw/zinc/09/07/42/497090742.db2.gz JSZIRVUUXVFXPX-OAHLLOKOSA-N 2 0 360.452 3.271 20 0 FGADRP CC[C@H]([NH2+]CC1CC[NH+](C2CC2)CC1)c1ccccc1OCC(=O)N(C)C ZINC000278430204 497110670 /nfs/dbraw/zinc/11/06/70/497110670.db2.gz JKOPOHBINQQUQX-FQEVSTJZSA-N 2 0 373.541 3.069 20 0 FGADRP COC(=O)C1CCC([NH2+]CC2CC[NH+](Cc3ccc(OC)cc3)CC2)CC1 ZINC000192440986 497115880 /nfs/dbraw/zinc/11/58/80/497115880.db2.gz KNWZDYPDCHXDPQ-UHFFFAOYSA-N 2 0 374.525 3.229 20 0 FGADRP Cn1c2ccc(C[NH2+]Cc3ccc(C[NH+]4CCCC4)cc3)cc2sc1=O ZINC000192454628 497119975 /nfs/dbraw/zinc/11/99/75/497119975.db2.gz OMDUOIQLCOKXHJ-UHFFFAOYSA-N 2 0 367.518 3.486 20 0 FGADRP CN1CC[NH+](CC2CC[NH+](Cc3cc(Cl)cc4cccnc43)CC2)CC1 ZINC000265448553 497121969 /nfs/dbraw/zinc/12/19/69/497121969.db2.gz SSEXJWNKFHULFR-UHFFFAOYSA-N 2 0 372.944 3.348 20 0 FGADRP CC1CC[NH+](Cc2ccccc2CNC(=O)[C@H](C[NH3+])c2ccccc2)CC1 ZINC000236630965 497122761 /nfs/dbraw/zinc/12/27/61/497122761.db2.gz BXVDCKKWQXPGJI-JOCHJYFZSA-N 2 0 365.521 3.277 20 0 FGADRP CC1CC[NH+](Cc2ccc(CNC(=O)[C@H]([NH3+])c3ccccc3)cc2)CC1 ZINC000236634712 497124150 /nfs/dbraw/zinc/12/41/50/497124150.db2.gz TVPFWNISRRLFHV-OAQYLSRUSA-N 2 0 351.494 3.235 20 0 FGADRP c1ccc2c(c1)C[C@H]([NH2+]Cc1ccc(OCC[NH+]3CCCC3)cc1)CO2 ZINC000236655742 497127407 /nfs/dbraw/zinc/12/74/07/497127407.db2.gz VIPWXXXQUJQAKA-FQEVSTJZSA-N 2 0 352.478 3.255 20 0 FGADRP C[N@@H+]1CC[C@@H](NC(=O)N2CCC([NH+]3CCCCC3)CC2)[C@H]1c1ccccc1 ZINC000270516053 497143110 /nfs/dbraw/zinc/14/31/10/497143110.db2.gz MDXAFKJQFSLABW-NHCUHLMSSA-N 2 0 370.541 3.092 20 0 FGADRP CCC[NH+]1CCN(c2ccccc2CNC[C@@H](CC)[NH+]2CCCC2)CC1 ZINC000236800734 497147316 /nfs/dbraw/zinc/14/73/16/497147316.db2.gz MHMGUHCXOBNVBH-OAQYLSRUSA-N 2 0 358.574 3.183 20 0 FGADRP COc1ccccc1[C@H](O)C[NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274887397 497191128 /nfs/dbraw/zinc/19/11/28/497191128.db2.gz ITEXHGAKQHNKQE-YFVAEKQCSA-N 2 0 354.494 3.229 20 0 FGADRP CC1(C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)CC[NH+](Cc2ccccc2)CC1 ZINC000274934103 497201690 /nfs/dbraw/zinc/20/16/90/497201690.db2.gz MCZRYPFOZVCAAW-OAQYLSRUSA-N 2 0 369.553 3.376 20 0 FGADRP COc1ccc([C@H](CNC(=O)c2ccc(C[NH3+])cc2)[NH+]2CCCCC2)cc1 ZINC000237329487 497220989 /nfs/dbraw/zinc/22/09/89/497220989.db2.gz WEXGIZZNTISCIU-NRFANRHFSA-N 2 0 367.493 3.111 20 0 FGADRP C[C@H]([NH3+])[C@H]1CCCN(C(=O)CN(Cc2ccccc2)Cc2ccccc2)C1 ZINC000237433421 497236946 /nfs/dbraw/zinc/23/69/46/497236946.db2.gz VRMCHCXFJAQNSI-UGKGYDQZSA-N 2 0 365.521 3.275 20 0 FGADRP C[C@H](C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1)[C@@H]([NH3+])c1ccccc1 ZINC000237464714 497240985 /nfs/dbraw/zinc/24/09/85/497240985.db2.gz RLGVHIYXIWBGPU-DZFGPLHGSA-N 2 0 351.494 3.103 20 0 FGADRP C[C@@H](CC(=O)NCc1ccccc1C[NH+]1CCCCC1)C1CC[NH2+]CC1 ZINC000237478286 497243657 /nfs/dbraw/zinc/24/36/57/497243657.db2.gz OWAMJDDEZKZJQK-SFHVURJKSA-N 2 0 357.542 3.315 20 0 FGADRP C[C@H](CC(=O)N(C)[C@H]1CCC[N@H+](Cc2ccccc2)C1)C1CC[NH2+]CC1 ZINC000237505841 497248014 /nfs/dbraw/zinc/24/80/14/497248014.db2.gz ISZUQKCLBIHTRT-NQIIRXRSSA-N 2 0 357.542 3.135 20 0 FGADRP Cc1ncccc1C[NH2+]CCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000237594505 497260454 /nfs/dbraw/zinc/26/04/54/497260454.db2.gz MHPWRAYESCSSHL-UHFFFAOYSA-N 2 0 352.526 3.078 20 0 FGADRP C[C@H]([NH2+]CCCC[NH+]1CCN(Cc2ccccc2)CC1)c1cscn1 ZINC000271120856 497268515 /nfs/dbraw/zinc/26/85/15/497268515.db2.gz JIQYOMFLITZHNO-SFHVURJKSA-N 2 0 358.555 3.392 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)C2(c3ccccc3)CC[NH2+]CC2)C1 ZINC000237679586 497274987 /nfs/dbraw/zinc/27/49/87/497274987.db2.gz RLBMOKUKTLQYHW-BGYRXZFFSA-N 2 0 371.569 3.182 20 0 FGADRP Cc1cc(NC(=O)CCC2CC[NH2+]CC2)ccc1OCC[NH+]1CCCC1 ZINC000237697834 497278110 /nfs/dbraw/zinc/27/81/10/497278110.db2.gz NSDFHDXIFCVZMA-UHFFFAOYSA-N 2 0 359.514 3.188 20 0 FGADRP CCN(CCC[NH+](C)C)C(=O)N[C@@H](C)c1ccc(-n2ccnc2C)cc1 ZINC000189890622 497282434 /nfs/dbraw/zinc/28/24/34/497282434.db2.gz VZBRLQUNWSJTKA-INIZCTEOSA-N 2 0 357.502 3.225 20 0 FGADRP [NH3+]C[C@H](C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1)c1ccccc1 ZINC000237826026 497297065 /nfs/dbraw/zinc/29/70/65/497297065.db2.gz FKPXFCRZMSDVLL-NRFANRHFSA-N 2 0 351.494 3.031 20 0 FGADRP C[N@H+](CC[C@@H]1CCCC[NH+]1C)C[C@@H](O)COCc1ccccc1Cl ZINC000252480327 497301923 /nfs/dbraw/zinc/30/19/23/497301923.db2.gz AGWAWJFMOIBQAP-ZWKOTPCHSA-N 2 0 354.922 3.024 20 0 FGADRP [NH3+]C1(C(=O)NCC2CC[NH+](Cc3ccccc3Cl)CC2)CCCCC1 ZINC000237913735 497313801 /nfs/dbraw/zinc/31/38/01/497313801.db2.gz QDVJERXWOFZSDK-UHFFFAOYSA-N 2 0 363.933 3.330 20 0 FGADRP [NH3+][C@H](C(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)c1ccccc1 ZINC000238011016 497327597 /nfs/dbraw/zinc/32/75/97/497327597.db2.gz WTLIDMIOAQGMPZ-IBGZPJMESA-N 2 0 357.885 3.121 20 0 FGADRP COc1cc(C)c([C@H](C)[NH2+]C2CC[NH+]([C@H]3CCC[C@H]3O)CC2)cc1OC ZINC000271500671 497365062 /nfs/dbraw/zinc/36/50/62/497365062.db2.gz LWAFRKYOADQCRJ-ZYSHUDEJSA-N 2 0 362.514 3.041 20 0 FGADRP C[NH+](C)CCc1ccccc1NC(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C ZINC000275570344 497367133 /nfs/dbraw/zinc/36/71/33/497367133.db2.gz CKLLZPMNFVMARF-HXUWFJFHSA-N 2 0 372.488 3.354 20 0 FGADRP CC[NH+](CC)CCSCC(=O)N[C@H](C[NH3+])c1ccc2ccccc2c1 ZINC000193407153 497373174 /nfs/dbraw/zinc/37/31/74/497373174.db2.gz DIVUQOSKHGTEJF-LJQANCHMSA-N 2 0 359.539 3.031 20 0 FGADRP COc1cc([C@H](C)[NH2+]C2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)ccc1SC ZINC000271548135 497379854 /nfs/dbraw/zinc/37/98/54/497379854.db2.gz UKOXEQHRPDPIBP-QGTPRVQTSA-N 2 0 364.555 3.446 20 0 FGADRP C[C@H]([NH2+]CCCCCCC[NH+]1CCCC1)c1cccc(S(N)(=O)=O)c1 ZINC000271606836 497397095 /nfs/dbraw/zinc/39/70/95/497397095.db2.gz AEIDYPVGAWQDFV-KRWDZBQOSA-N 2 0 367.559 3.031 20 0 FGADRP CCC1(O)CC[NH+](Cc2ccccc2C[NH+]2CCC(O)(CC)CC2)CC1 ZINC000266725379 497406579 /nfs/dbraw/zinc/40/65/79/497406579.db2.gz IRMAFKDVIGAOBK-UHFFFAOYSA-N 2 0 360.542 3.160 20 0 FGADRP O=C([C@@H]1CCCC[N@@H+]1Cc1ccccc1)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000245438401 497406836 /nfs/dbraw/zinc/40/68/36/497406836.db2.gz SCQLRMZBTRYQRB-VXKWHMMOSA-N 2 0 369.553 3.376 20 0 FGADRP CCN(CCC[NH+]1CCCC1)C(=O)N[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000190238028 497409054 /nfs/dbraw/zinc/40/90/54/497409054.db2.gz PPMKYOQMAFYSJD-MOPGFXCFSA-N 2 0 364.578 3.157 20 0 FGADRP C[C@H](CC(=O)N[C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1CCC[NH2+]C1 ZINC000261575357 497416043 /nfs/dbraw/zinc/41/60/43/497416043.db2.gz BNELUSGHNHJGRL-QCFAMHMHSA-N 2 0 357.542 3.039 20 0 FGADRP CC[NH+]1CCC([NH2+]CCC(=O)Nc2cc(Br)ccc2C)CC1 ZINC000271718159 497428276 /nfs/dbraw/zinc/42/82/76/497428276.db2.gz PPWWHCYLHAAAPZ-UHFFFAOYSA-N 2 0 368.319 3.160 20 0 FGADRP Clc1ccc(OCCN2CC[C@@H]3C[NH2+]C[C@H]3C2)c(Br)c1 ZINC000261672334 497430643 /nfs/dbraw/zinc/43/06/43/497430643.db2.gz GAOVXWRQSKGACO-NEPJUHHUSA-N 2 0 359.695 3.023 20 0 FGADRP CC[NH+](CC)[C@H](C(=O)Nc1ccc2c(c1F)CC[NH2+]C2)c1ccccc1 ZINC000261698856 497435819 /nfs/dbraw/zinc/43/58/19/497435819.db2.gz JFHJZMDJXUGJAP-FQEVSTJZSA-N 2 0 355.457 3.493 20 0 FGADRP C[C@]1(C[NH3+])CCN(Cc2ncc(-c3ccc(Br)cc3)o2)C1 ZINC000261726752 497441257 /nfs/dbraw/zinc/44/12/57/497441257.db2.gz JRNAXUVBULVFNW-MRXNPFEDSA-N 2 0 350.260 3.275 20 0 FGADRP C[C@H]1C[C@@H](C[NH3+])CN1C(=O)c1cccc(C[N@H+](C)Cc2ccccc2)c1 ZINC000261835916 497458865 /nfs/dbraw/zinc/45/88/65/497458865.db2.gz OPNIJRJILMOFAW-PXNSSMCTSA-N 2 0 351.494 3.128 20 0 FGADRP CC[N@H+](C)Cc1cccc(CNC(=O)Nc2cccc3c2CC[NH2+]C3)c1 ZINC000578304761 505910475 /nfs/dbraw/zinc/91/04/75/505910475.db2.gz NBWAEYZFGGTUKD-UHFFFAOYSA-N 2 0 352.482 3.106 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@H](O)c2ccc(F)cc2Cl)[C@@H](C)C1 ZINC000276279224 497535079 /nfs/dbraw/zinc/53/50/79/497535079.db2.gz UABAXDJNDMIXRY-JVPBZIDWSA-N 2 0 372.912 3.239 20 0 FGADRP OCC[NH+]1CCC(C[NH2+][C@H](c2ccc(Br)s2)C2CC2)CC1 ZINC000190602366 497540990 /nfs/dbraw/zinc/54/09/90/497540990.db2.gz VSEIPQNFFRNACJ-INIZCTEOSA-N 2 0 373.360 3.256 20 0 FGADRP CCO[C@@H]1C[C@H]([NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)C1(CC)CC ZINC000245820973 497544135 /nfs/dbraw/zinc/54/41/35/497544135.db2.gz ABVIBHLLDBRTEZ-YSTOQKLRSA-N 2 0 352.563 3.328 20 0 FGADRP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000272146172 497546861 /nfs/dbraw/zinc/54/68/61/497546861.db2.gz LASGBJLCWSMTSE-GOSISDBHSA-N 2 0 372.557 3.023 20 0 FGADRP CC[NH2+]CC1CC[NH+](Cc2cc(OC)c(OC)cc2Br)CC1 ZINC000262382451 497547288 /nfs/dbraw/zinc/54/72/88/497547288.db2.gz YXVLDLFZADUHOS-UHFFFAOYSA-N 2 0 371.319 3.288 20 0 FGADRP CC[NH+](CC)Cc1ccc(NC(=O)[C@@H]([NH2+]C2CCOCC2)C(C)C)cc1 ZINC000190617586 497547878 /nfs/dbraw/zinc/54/78/78/497547878.db2.gz CTAOEWWUQFMNGZ-FQEVSTJZSA-N 2 0 361.530 3.260 20 0 FGADRP COCC1(C(=O)Nc2ccc(C[NH+]3CCCCCC3)cc2)CC[NH2+]CC1 ZINC000262418271 497552602 /nfs/dbraw/zinc/55/26/02/497552602.db2.gz UPPXTPNKODTDFY-UHFFFAOYSA-N 2 0 359.514 3.017 20 0 FGADRP C[C@H](CC(=O)N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1)[C@H]1CCC[NH2+]C1 ZINC000262657727 497593512 /nfs/dbraw/zinc/59/35/12/497593512.db2.gz VGVGVDJNQNAQMX-SBHAEUEKSA-N 2 0 357.542 3.135 20 0 FGADRP Cc1ccc([C@@H]([NH3+])C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cc1 ZINC000262679165 497598554 /nfs/dbraw/zinc/59/85/54/497598554.db2.gz VGCWZNNXRYWJQB-LQCXBHPOSA-N 2 0 363.505 3.307 20 0 FGADRP CC[N@@H+]1CC[C@@H]([NH2+]CCc2ccc(OCC[NH+]3CCCC3)cc2)[C@@H](C)C1 ZINC000246107614 497624197 /nfs/dbraw/zinc/62/41/97/497624197.db2.gz ZFRZBGXBWPISGO-SIKLNZKXSA-N 3 0 359.558 3.024 20 0 FGADRP COCCN(C)c1ccc(C[NH2+]Cc2cccc(C[N@H+](C)C(C)C)c2)cn1 ZINC000276728736 497638029 /nfs/dbraw/zinc/63/80/29/497638029.db2.gz DCLXJCZYRWXAQN-UHFFFAOYSA-N 2 0 370.541 3.294 20 0 FGADRP C[NH+]1CCC(C[NH2+]Cc2nc(-c3ccccc3)c[nH]2)(N2CCCCC2)CC1 ZINC000194341879 497639141 /nfs/dbraw/zinc/63/91/41/497639141.db2.gz IXCNDFOYLIMGNH-UHFFFAOYSA-N 2 0 367.541 3.117 20 0 FGADRP CC[C@@H](C)[NH2+][C@@H](CNC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)c1ccco1 ZINC000569373302 505920058 /nfs/dbraw/zinc/92/00/58/505920058.db2.gz POCOTVZTOHVYQN-ZBFHGGJFSA-N 2 0 364.534 3.317 20 0 FGADRP C[N@@H+]1CCCN(CCC[NH2+][C@H]2CCCOc3cc4c(cc32)CCC4)CC1 ZINC000246176637 497648583 /nfs/dbraw/zinc/64/85/83/497648583.db2.gz BSFWCJYVBUQLGW-NRFANRHFSA-N 2 0 357.542 3.006 20 0 FGADRP CCN(C(=O)CCC1CC[NH2+]CC1)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000262959806 497666432 /nfs/dbraw/zinc/66/64/32/497666432.db2.gz KOVGWZHAKUJVAP-GHTZIAJQSA-N 2 0 357.542 3.450 20 0 FGADRP COCCOc1ccc([C@H](C)[NH2+]CC2(C)CC[NH+](C)CC2)cc1OC ZINC000272616126 497679675 /nfs/dbraw/zinc/67/96/75/497679675.db2.gz XDJRRMVLLNPHNN-INIZCTEOSA-N 2 0 350.503 3.103 20 0 FGADRP C[C@@H]([NH2+]C1(CNC(=O)N2CCC(CC[NH3+])CC2)CCCC1)c1ccccc1 ZINC000578368209 505923549 /nfs/dbraw/zinc/92/35/49/505923549.db2.gz HBTQRBGHPFDTSZ-GOSISDBHSA-N 2 0 372.557 3.420 20 0 FGADRP C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)NCCC[NH+]2CCCCC2)C1 ZINC000246333300 497698836 /nfs/dbraw/zinc/69/88/36/497698836.db2.gz IGICMKPWJFRZLM-VQTJNVASSA-N 2 0 364.578 3.158 20 0 FGADRP COc1cccc2c1CC[C@H]2[NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000272730827 497714174 /nfs/dbraw/zinc/71/41/74/497714174.db2.gz INJUFDADSDQUPT-GHTZIAJQSA-N 2 0 352.478 3.039 20 0 FGADRP COc1cccc2c1CC[C@@H]2[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000272730713 497714300 /nfs/dbraw/zinc/71/43/00/497714300.db2.gz ILBQXRNQKYHDJP-KNQAVFIVSA-N 2 0 366.505 3.429 20 0 FGADRP CC(=O)Nc1ccc([C@H](C)[NH2+]CCc2ccc(OCC[NH+](C)C)cc2)cc1 ZINC000272755198 497721906 /nfs/dbraw/zinc/72/19/06/497721906.db2.gz OPDRXYUPIBEELI-KRWDZBQOSA-N 2 0 369.509 3.479 20 0 FGADRP C[C@@H]1C[C@H](N(C)C(=O)[C@@H]2CCCC[C@]2(C)[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000263173541 497723699 /nfs/dbraw/zinc/72/36/99/497723699.db2.gz GAOHCAHYCPELCV-PBVWOCPUSA-N 2 0 357.542 3.406 20 0 FGADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N(C)[C@H]2CC[NH+](CC)C[C@@H]2C)C1 ZINC000246416160 497726562 /nfs/dbraw/zinc/72/65/62/497726562.db2.gz LJGIYJYEDGEKTM-OTWHNJEPSA-N 2 0 366.594 3.259 20 0 FGADRP C[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)c1csc(Cl)c1 ZINC000191154990 497727123 /nfs/dbraw/zinc/72/71/23/497727123.db2.gz BNLFYDFMJDUHIL-ZDUSSCGKSA-N 2 0 350.919 3.399 20 0 FGADRP Fc1ccc(-n2nccc2C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)cc1 ZINC000280364482 497731481 /nfs/dbraw/zinc/73/14/81/497731481.db2.gz UWVPICULTDCJIS-UHFFFAOYSA-N 2 0 372.488 3.088 20 0 FGADRP CC[N@@H+]1CC[C@@H](N(C)CC(=O)N(Cc2ccc(C)cc2)C2CC2)[C@@H](C)C1 ZINC000246471072 497745077 /nfs/dbraw/zinc/74/50/77/497745077.db2.gz GUUUYQZJADZOIA-GHTZIAJQSA-N 2 0 357.542 3.148 20 0 FGADRP C[C@H](C(=O)N1c2ccccc2C[C@H]1C)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000194738681 497755430 /nfs/dbraw/zinc/75/54/30/497755430.db2.gz KINPLWMQIQNHPX-QZTJIDSGSA-N 2 0 355.526 3.161 20 0 FGADRP C[C@@H]1C[C@@H](NC(=O)C[C@H]([NH3+])c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000263372518 497770184 /nfs/dbraw/zinc/77/01/84/497770184.db2.gz YXQOGGWEODRCTO-QMMLZNLJSA-N 2 0 351.494 3.246 20 0 FGADRP C[C@@H]1CCC[N@H+](CCNC(=O)N[C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000246578989 497780362 /nfs/dbraw/zinc/78/03/62/497780362.db2.gz TVOQUUCESQAKBT-SBHAEUEKSA-N 2 0 372.557 3.071 20 0 FGADRP C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)NC[C@H]2CCC[NH+]2C)c1 ZINC000194834055 497785558 /nfs/dbraw/zinc/78/55/58/497785558.db2.gz NAVWTBBQLQBBFP-OAQYLSRUSA-N 2 0 351.494 3.143 20 0 FGADRP C[C@H](NC(=O)CN(C)C[C@H]1CCC[N@H+](C)C1)c1ccc(Cl)c(Cl)c1 ZINC000246701679 497801469 /nfs/dbraw/zinc/80/14/69/497801469.db2.gz CADYKBSDCDQZGS-KBPBESRZSA-N 2 0 372.340 3.444 20 0 FGADRP COc1ccc([C@@H](C)[NH2+]Cc2cccc(C(=O)NCC[NH+](C)C)c2)cc1C ZINC000273125475 497801876 /nfs/dbraw/zinc/80/18/76/497801876.db2.gz YUWQYPCROXACQJ-QGZVFWFLSA-N 2 0 369.509 3.146 20 0 FGADRP O=C([C@@H]1CCC[N@@H+]1Cc1ccccc1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000246704610 497801987 /nfs/dbraw/zinc/80/19/87/497801987.db2.gz RRHSYSAYOPYLRA-RTWAWAEBSA-N 2 0 355.526 3.128 20 0 FGADRP CCC[N@H+](C)C[C@H]1CC[NH+](C[C@@H](O)Cc2ccccc2C(F)(F)F)C1 ZINC000246730837 497805641 /nfs/dbraw/zinc/80/56/41/497805641.db2.gz ORTOAKDGNMCEEP-WBVHZDCISA-N 2 0 358.448 3.273 20 0 FGADRP COc1ccc2c(c1)[C@@H]([NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)CCCO2 ZINC000246836984 497815081 /nfs/dbraw/zinc/81/50/81/497815081.db2.gz ARXQLAJSRRDHOK-QKLQHJQFSA-N 2 0 362.514 3.388 20 0 FGADRP C[C@H](OC[C@@H](O)C[NH2+]C1CCC(C[NH+](C)C)CC1)c1ccc(Cl)cc1 ZINC000572274674 505931715 /nfs/dbraw/zinc/93/17/15/505931715.db2.gz KQBPJQCQIUAKJC-MUAOVLSHSA-N 2 0 368.949 3.489 20 0 FGADRP Cc1ccc(CNC(=O)[C@@H](C)N2CCC(Oc3ccncc3C)CC2)cc1 ZINC000575221299 505945316 /nfs/dbraw/zinc/94/53/16/505945316.db2.gz NYQYGPXRBAOYCG-GOSISDBHSA-N 2 0 367.493 3.247 20 0 FGADRP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+][C@@H](C[C@@H]1CCOC1)c1ccc(F)cc1 ZINC000292182955 497912832 /nfs/dbraw/zinc/91/28/32/497912832.db2.gz OQHONDCBOFCBKM-YYWHXJBOSA-N 2 0 364.505 3.120 20 0 FGADRP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](CC[C@@H](C)OCc3ccccc3)C2)CC1 ZINC000572356132 505948455 /nfs/dbraw/zinc/94/84/55/505948455.db2.gz KZTZWXXIEPBUDO-IRLDBZIGSA-N 2 0 359.558 3.082 20 0 FGADRP [NH2+]=C(NC[C@@H]1CCC[N@H+](Cc2cccnc2)C1)Nc1ccc2c(c1)CCC2 ZINC000364384727 497932721 /nfs/dbraw/zinc/93/27/21/497932721.db2.gz NDHPGFOKXLJQBK-SFHVURJKSA-N 2 0 363.509 3.419 20 0 FGADRP O=C(NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1)C1CC[NH+](C2CC2)CC1 ZINC000292275485 497949787 /nfs/dbraw/zinc/94/97/87/497949787.db2.gz QKTLELRLBIMBIF-HXUWFJFHSA-N 2 0 369.553 3.279 20 0 FGADRP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)NC1(C)CC[NH2+]CC1 ZINC000581299454 505955397 /nfs/dbraw/zinc/95/53/97/505955397.db2.gz QPMPSAGUDVNGQX-KRWDZBQOSA-N 2 0 358.530 3.002 20 0 FGADRP CCn1ccnc1C[N@H+](CCCCC1CCOCC1)[C@@H]1CC12CC[NH2+]CC2 ZINC000578533315 505961740 /nfs/dbraw/zinc/96/17/40/505961740.db2.gz CRKWATIEUHJZGL-HXUWFJFHSA-N 2 0 374.573 3.444 20 0 FGADRP C[C@H](CNC(=O)c1ccccc1CC1CC[NH2+]CC1)C[NH+]1CCCCC1 ZINC000572408708 505961833 /nfs/dbraw/zinc/96/18/33/505961833.db2.gz IXEMHCFLYAIEAW-GOSISDBHSA-N 2 0 357.542 3.081 20 0 FGADRP CC[NH+]1CCN(Cc2ccccc2C[NH2+][C@H]2CCOC3(CCC3)C2)CC1 ZINC000296355465 498010204 /nfs/dbraw/zinc/01/02/04/498010204.db2.gz JFPWPXUNRIQKGH-NRFANRHFSA-N 2 0 357.542 3.015 20 0 FGADRP Cc1csc(C(=O)NCC2(N3CCCCC3)CC[NH+](C)CC2)c1Cl ZINC000364576048 498032055 /nfs/dbraw/zinc/03/20/55/498032055.db2.gz CLMRYTMYZHMMKH-UHFFFAOYSA-N 2 0 369.962 3.390 20 0 FGADRP C[N@@H+]1CC[C@]2(CCN(C(=O)Nc3ccc(CC[NH+]4CCCCC4)cc3)C2)C1 ZINC000292584322 498069284 /nfs/dbraw/zinc/06/92/84/498069284.db2.gz JYJOUFHEMGVFGF-QFIPXVFZSA-N 2 0 370.541 3.275 20 0 FGADRP C[C@@H](CNC(=O)NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1)[NH+](C)C1CC1 ZINC000581402589 505979816 /nfs/dbraw/zinc/97/98/16/505979816.db2.gz STLLFUHZWYBZKK-AZUAARDMSA-N 2 0 372.557 3.071 20 0 FGADRP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000364767386 498134273 /nfs/dbraw/zinc/13/42/73/498134273.db2.gz BOSMWSVQTVGLSK-DUXKGJEZSA-N 2 0 370.541 3.138 20 0 FGADRP CCC[N@@H+]1CC[C@H](C[NH2+]C[C@H](O)COc2cc(Cl)ccc2Cl)C1 ZINC000569686283 505993944 /nfs/dbraw/zinc/99/39/44/505993944.db2.gz JNERRXKQMJFYOE-HIFRSBDPSA-N 2 0 361.313 3.055 20 0 FGADRP C/C(=C\c1ccccc1OC(F)F)C[NH2+]C[C@@H](C)CN1CC[NH+](C)CC1 ZINC000289420263 498139276 /nfs/dbraw/zinc/13/92/76/498139276.db2.gz CLCJKXARAHNHRA-NWNNTGRJSA-N 2 0 367.484 3.164 20 0 FGADRP O=C(NCCC[NH+]1CCCC1)C1CC[NH+](C/C=C\c2ccc(F)cc2)CC1 ZINC000569741126 506005282 /nfs/dbraw/zinc/00/52/82/506005282.db2.gz IDODQPTWGGFTDP-HYXAFXHYSA-N 2 0 373.516 3.153 20 0 FGADRP CC[C@@H](C(=O)NC1CC[NH+](C2CCCC2)CC1)[N@H+](C)Cc1ccccc1 ZINC000569748520 506007126 /nfs/dbraw/zinc/00/71/26/506007126.db2.gz UXLRBUCTCXDJKX-NRFANRHFSA-N 2 0 357.542 3.420 20 0 FGADRP CC[NH+](CC)CCOc1ccc(C(=O)N2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cc1 ZINC000572606550 506010064 /nfs/dbraw/zinc/01/00/64/506010064.db2.gz XBHVQXXEIFWSSY-PZJWPPBQSA-N 2 0 373.541 3.011 20 0 FGADRP C[N@@H+]1C[C@@H]2C[NH+](Cc3ccc(-n4cncn4)cc3)C[C@H]2[C@H]1c1ccccc1 ZINC000360790454 498308725 /nfs/dbraw/zinc/30/87/25/498308725.db2.gz GZVORPGPMSSBFW-CEMLEFRQSA-N 2 0 359.477 3.002 20 0 FGADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N(C)[C@@H](c1ncc[nH]1)c1ccccc1 ZINC000297131260 498327809 /nfs/dbraw/zinc/32/78/09/498327809.db2.gz HPNXXICCYKWJAB-ZIFCJYIRSA-N 2 0 369.513 3.261 20 0 FGADRP COc1ccc(C[NH+]2CCC(C[NH2+][C@@H](C)c3cc(C)n(C)n3)CC2)cc1 ZINC000282067752 498378200 /nfs/dbraw/zinc/37/82/00/498378200.db2.gz GZOGUAMPYCCWGG-KRWDZBQOSA-N 2 0 356.514 3.300 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@H]1CCn2c(cnc2-c2ccccc2)C1 ZINC000361685283 498418446 /nfs/dbraw/zinc/41/84/46/498418446.db2.gz MTONHLAJGSTDEZ-MJGOQNOKSA-N 2 0 366.509 3.103 20 0 FGADRP C[C@@H]([NH2+]Cc1ccncc1OCCC[NH+](C)C)c1ccc2c(c1)OCCO2 ZINC000290187895 498456042 /nfs/dbraw/zinc/45/60/42/498456042.db2.gz FTFBSRGDCSRAED-MRXNPFEDSA-N 2 0 371.481 3.034 20 0 FGADRP Fc1cccc(Br)c1CNCc1ccc(-n2ccnc2)nc1 ZINC000365435979 498466088 /nfs/dbraw/zinc/46/60/88/498466088.db2.gz JSOORCPTUAOUEU-UHFFFAOYSA-N 2 0 361.218 3.459 20 0 FGADRP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1ccccc1C[NH+](C)C ZINC000365485970 498493043 /nfs/dbraw/zinc/49/30/43/498493043.db2.gz OUKXBEBMJCINDU-FQEVSTJZSA-N 2 0 365.521 3.342 20 0 FGADRP Cc1ccc(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)c(O[C@H]2CCOC2)c1 ZINC000297583932 498501512 /nfs/dbraw/zinc/50/15/12/498501512.db2.gz IQZJJEFKYXDTCB-NRFANRHFSA-N 2 0 367.493 3.316 20 0 FGADRP Cc1ccc(NC2CC[NH+](C3CC3)CC2)cc1NC(=O)CN1CCCCC1 ZINC000297620867 498514305 /nfs/dbraw/zinc/51/43/05/498514305.db2.gz HCUSZWBWMCQRIT-UHFFFAOYSA-N 2 0 370.541 3.458 20 0 FGADRP Cc1cc(C[N@@H+](C)CCCN(C)CC[NH+](C)C)sc1Br ZINC000572764205 506046485 /nfs/dbraw/zinc/04/64/85/506046485.db2.gz LPVUOMKLYJXXCC-UHFFFAOYSA-N 2 0 362.381 3.134 20 0 FGADRP COCCC[C@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1ccc(F)cc1 ZINC000282448319 498517235 /nfs/dbraw/zinc/51/72/35/498517235.db2.gz UYFDDVOELLLRFR-XLIONFOSSA-N 2 0 352.494 3.384 20 0 FGADRP C[C@@H](c1ccc(F)cc1)N1CC[C@@H]([N@@H+]2CC[C@@H](C)[C@@H](n3ccnc3)C2)C1=O ZINC000293919183 498532787 /nfs/dbraw/zinc/53/27/87/498532787.db2.gz XTHAIOWIDPMOPP-GJJHYRHESA-N 2 0 370.472 3.267 20 0 FGADRP C[C@@H]1CN(C(=O)c2ccc(Nc3cc[nH+]cc3)cc2)CC[N@@H+](C2CCC2)C1 ZINC000569935820 506052081 /nfs/dbraw/zinc/05/20/81/506052081.db2.gz LOEZMEDWOVZBNZ-KRWDZBQOSA-N 2 0 364.493 3.194 20 0 FGADRP O=C(NCCCCC[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)OCc1ccccc1 ZINC000286949686 498565090 /nfs/dbraw/zinc/56/50/90/498565090.db2.gz BNFKVYYSOIUFIW-VQTJNVASSA-N 2 0 359.514 3.300 20 0 FGADRP CC[NH+]1CCC(Nc2cc(C(C)C)nc(NC3CC[NH+](CC)CC3)n2)CC1 ZINC000302768016 498565313 /nfs/dbraw/zinc/56/53/13/498565313.db2.gz MEFNYJMOSVOWSE-UHFFFAOYSA-N 2 0 374.577 3.392 20 0 FGADRP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)c2ccccc2CC2CC[NH2+]CC2)C1 ZINC000581728790 506055086 /nfs/dbraw/zinc/05/50/86/506055086.db2.gz VVQWYEBDHLDFLL-RTBURBONSA-N 2 0 371.569 3.327 20 0 FGADRP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000302971096 498635069 /nfs/dbraw/zinc/63/50/69/498635069.db2.gz OAHKOSIAYPIHPN-FQEVSTJZSA-N 2 0 374.573 3.113 20 0 FGADRP [NH3+][C@@H](CC(=O)NCC1CC[NH+](Cc2cccs2)CC1)Cc1ccccc1 ZINC000578984091 506067528 /nfs/dbraw/zinc/06/75/28/506067528.db2.gz FBVWWCCRFJKGBH-LJQANCHMSA-N 2 0 371.550 3.036 20 0 FGADRP CC(C)C[N@@H+]1CC[C@H](C[NH2+]C[C@H](O)CO[C@@H](C)c2ccc(Cl)cc2)C1 ZINC000581809677 506067579 /nfs/dbraw/zinc/06/75/79/506067579.db2.gz PUNPGPMSHAOHLL-QKLQHJQFSA-N 2 0 368.949 3.346 20 0 FGADRP CC(C)[NH2+]CCCNC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000572857718 506069498 /nfs/dbraw/zinc/06/94/98/506069498.db2.gz ROTQSHMIRFKFOI-UYAOXDASSA-N 2 0 360.546 3.069 20 0 FGADRP COc1ccc([C@H]2[C@@H](CNC(=[NH2+])Nc3ccccn3)CCC[N@@H+]2C)cc1 ZINC000363136487 498669254 /nfs/dbraw/zinc/66/92/54/498669254.db2.gz JDNDAWOBSLEOJH-APWZRJJASA-N 2 0 353.470 3.110 20 0 FGADRP C[C@H](c1ccc(Cl)cc1)N(C)C(=O)C[N@@H+]1CCC[C@H](c2ncc[nH]2)C1 ZINC000365904855 498692513 /nfs/dbraw/zinc/69/25/13/498692513.db2.gz DGQWPCGSYVPNFT-ZBFHGGJFSA-N 2 0 360.889 3.462 20 0 FGADRP C[NH+](C)Cc1c2ccccc2oc1C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000363262103 498734962 /nfs/dbraw/zinc/73/49/62/498734962.db2.gz VVHJOFPAJUNFFJ-MRXNPFEDSA-N 2 0 355.482 3.195 20 0 FGADRP C[C@@H](c1nnc(SCc2ccnc(N)c2)n1-c1ccc(F)cc1)N(C)C ZINC000298374682 498749356 /nfs/dbraw/zinc/74/93/56/498749356.db2.gz PMURIYXWVTXYRF-LBPRGKRZSA-N 2 0 372.473 3.299 20 0 FGADRP CC(C)[N@H+](C)Cc1cccc(CNC(=O)c2cnn(-c3ccncc3)c2)c1 ZINC000294639265 498757773 /nfs/dbraw/zinc/75/77/73/498757773.db2.gz OVMGVIDDDIHIQF-UHFFFAOYSA-N 2 0 363.465 3.038 20 0 FGADRP Cc1cnccc1CC[NH2+]C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000570082120 506086023 /nfs/dbraw/zinc/08/60/23/506086023.db2.gz QILSTTJMUYWVSH-CQSZACIVSA-N 2 0 355.265 3.269 20 0 FGADRP COC(=O)c1ccc(C[NH2+]CCC2CC[NH+](C)CC2)c(Br)c1 ZINC000318106266 498795664 /nfs/dbraw/zinc/79/56/64/498795664.db2.gz NGOJKQRIXDHCCV-UHFFFAOYSA-N 2 0 369.303 3.057 20 0 FGADRP C[N@H+](CCC[NH2+]C[C@@H](O)COc1cccc2[nH]ccc21)C1CCCCC1 ZINC000570102816 506091273 /nfs/dbraw/zinc/09/12/73/506091273.db2.gz ZRVZMPGEJDCSLZ-GOSISDBHSA-N 2 0 359.514 3.152 20 0 FGADRP C[C@H]1[C@@H](NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000332820515 498803688 /nfs/dbraw/zinc/80/36/88/498803688.db2.gz KLUIQNPSFQZZPV-LPHOPBHVSA-N 2 0 372.557 3.258 20 0 FGADRP C[NH+](C)Cc1ccccc1C(=O)NC[C@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000366167405 498805505 /nfs/dbraw/zinc/80/55/05/498805505.db2.gz DYQDKTDPHQXIQI-QHCPKHFHSA-N 2 0 365.521 3.390 20 0 FGADRP C[C@@H](CNC(=O)[C@H]1CCn2c(cnc2C2CCCCC2)C1)[N@H+](C)C1CC1 ZINC000332829018 498806606 /nfs/dbraw/zinc/80/66/06/498806606.db2.gz OFQSWWXXZYTHAJ-RDJZCZTQSA-N 2 0 358.530 3.092 20 0 FGADRP C[C@@H](CNC(=O)[C@@H]1CCn2c(cnc2C2CCCCC2)C1)[N@H+](C)C1CC1 ZINC000332829017 498806949 /nfs/dbraw/zinc/80/69/49/498806949.db2.gz OFQSWWXXZYTHAJ-DOTOQJQBSA-N 2 0 358.530 3.092 20 0 FGADRP C[C@H]([NH2+]C[C@@H]1CCN(C(=O)c2ccccc2)C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000283196872 498813691 /nfs/dbraw/zinc/81/36/91/498813691.db2.gz RCBNUKUCEYLADM-ZJOUEHCJSA-N 2 0 369.553 3.391 20 0 FGADRP C[C@@H]([NH2+]C[C@H](C)N1CC[NH+](C)CC1)c1csc(-c2ccccc2F)n1 ZINC000291156640 498820679 /nfs/dbraw/zinc/82/06/79/498820679.db2.gz ITJWRIGRPUKNCQ-LSDHHAIUSA-N 2 0 362.518 3.236 20 0 FGADRP OC1(CC[NH2+][C@@H]2CCCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CCOCC1 ZINC000287692508 498838963 /nfs/dbraw/zinc/83/89/63/498838963.db2.gz WTLMVABSGNTKKF-BHIFYINESA-N 2 0 372.553 3.198 20 0 FGADRP Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC000573018065 506099654 /nfs/dbraw/zinc/09/96/54/506099654.db2.gz YMNXPCGUNDXZIL-UHFFFAOYSA-N 2 0 361.555 3.214 20 0 FGADRP C[C@@H]1C[C@H]([NH2+]C[C@@H]2COc3ccccc3O2)CCN1Cc1ccccc1 ZINC000581963265 506100957 /nfs/dbraw/zinc/10/09/57/506100957.db2.gz SWKCLSYDQYAOQP-MISYRCLQSA-N 2 0 352.478 3.469 20 0 FGADRP Cc1nn(C)c(N2CCC[N@H+](C)CC2)c1C[NH2+][C@@H](C)c1cc(C)cc(C)c1 ZINC000366293241 498861798 /nfs/dbraw/zinc/86/17/98/498861798.db2.gz FJIYFHOBPNUFGX-SFHVURJKSA-N 2 0 369.557 3.338 20 0 FGADRP Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)[C@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC000363562132 498879069 /nfs/dbraw/zinc/87/90/69/498879069.db2.gz IZZNQRQGIMFVDT-OALUTQOASA-N 2 0 373.566 3.357 20 0 FGADRP C[C@H]([NH2+]Cc1ccc(OCC[NH+](C)C)cc1)c1cccc(-n2ccnn2)c1 ZINC000287844598 498881144 /nfs/dbraw/zinc/88/11/44/498881144.db2.gz WLIXIHZNPINXME-KRWDZBQOSA-N 2 0 365.481 3.059 20 0 FGADRP O=C(C[C@H]1CCC[N@H+](CCC[NH+]2CCCC2)C1)NCc1ccc(F)cc1 ZINC000572997634 506095812 /nfs/dbraw/zinc/09/58/12/506095812.db2.gz FXTQUDCSFYIASX-LJQANCHMSA-N 2 0 361.505 3.030 20 0 FGADRP C[C@H](c1ccncc1)N1CCC([NH2+]C2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000291332001 498897665 /nfs/dbraw/zinc/89/76/65/498897665.db2.gz AJZAURZSECXHQM-GOSISDBHSA-N 2 0 365.525 3.261 20 0 FGADRP C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000333162297 498920089 /nfs/dbraw/zinc/92/00/89/498920089.db2.gz GQGGVHTYCHFYMM-FWZVCBSNSA-N 2 0 370.541 3.093 20 0 FGADRP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)C[C@@H](c2ccccc2)C1 ZINC000333208015 498937174 /nfs/dbraw/zinc/93/71/74/498937174.db2.gz ZEGPWRLBJCYBQY-ZBXIVHPLSA-N 2 0 369.553 3.195 20 0 FGADRP CC(C)[NH+](CCCNC(=O)c1ccc2c(ccn2CCC[NH3+])c1)C(C)C ZINC000570208485 506115382 /nfs/dbraw/zinc/11/53/82/506115382.db2.gz XCEBCXYDMWKEEG-UHFFFAOYSA-N 2 0 358.530 3.229 20 0 FGADRP Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@@H]2[NH2+]C[C@@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000579221257 506122703 /nfs/dbraw/zinc/12/27/03/506122703.db2.gz UDHMGEJQCWICHF-IZBJGVDFSA-N 2 0 364.555 3.187 20 0 FGADRP C[C@H]1CN(C(=O)c2oc3ccccc3c2C[NH+](C)C)CC[N@@H+](C2CC2)C1 ZINC000295452057 499021366 /nfs/dbraw/zinc/02/13/66/499021366.db2.gz WOPFZGMLTCJVHB-OAHLLOKOSA-N 2 0 355.482 3.051 20 0 FGADRP C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccnn1-c1ccccc1 ZINC000363948793 499063670 /nfs/dbraw/zinc/06/36/70/499063670.db2.gz RSJSAKIXMLMVAW-GCJKJVERSA-N 2 0 361.493 3.268 20 0 FGADRP C[C@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]Cc1cccc(S(C)(=O)=O)c1 ZINC000295673153 499077322 /nfs/dbraw/zinc/07/73/22/499077322.db2.gz KGRNAHATWCMLFJ-LAUBAEHRSA-N 2 0 372.534 3.090 20 0 FGADRP COc1ccc(-c2noc(C[N@@H+]3CCCC4(CC[NH+](C)CC4)C3)n2)cc1 ZINC000366878500 499104177 /nfs/dbraw/zinc/10/41/77/499104177.db2.gz FLJHXHKYBZLTBK-UHFFFAOYSA-N 2 0 356.470 3.053 20 0 FGADRP Cc1ccc([C@@H](CNC(=O)[C@@H]2C[NH2+]Cc3ccccc32)[NH+]2CCCC2)cc1 ZINC000576342785 506135127 /nfs/dbraw/zinc/13/51/27/506135127.db2.gz XQKWRNRPWNCURW-FGZHOGPDSA-N 2 0 363.505 3.135 20 0 FGADRP C[C@@H](NC(=O)NCc1ccc(C[NH+](C)C)cc1)[C@@H](c1ccccc1)[NH+](C)C ZINC000576333359 506133125 /nfs/dbraw/zinc/13/31/25/506133125.db2.gz CWVWUBUZSXIUOR-UTKZUKDTSA-N 2 0 368.525 3.239 20 0 FGADRP O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)NC1CC([NH+]2CCCCC2)C1 ZINC000370579624 499233426 /nfs/dbraw/zinc/23/34/26/499233426.db2.gz LURHHBLRIOQMMQ-XVAXZDLZSA-N 2 0 370.541 3.140 20 0 FGADRP Cc1csc(CCCC[NH2+][C@@H]2CC[N@@H+](C[C@H]3CCCO3)C[C@@H]2C)n1 ZINC000370644982 499239167 /nfs/dbraw/zinc/23/91/67/499239167.db2.gz SIAYXMMJLSERJA-CGTJXYLNSA-N 2 0 351.560 3.253 20 0 FGADRP CC(=O)Nc1ccc(C[NH2+]C2CCN(Cc3ccccc3Cl)CC2)cn1 ZINC000370671965 499242671 /nfs/dbraw/zinc/24/26/71/499242671.db2.gz AIMKUOPLZMLHIA-UHFFFAOYSA-N 2 0 372.900 3.448 20 0 FGADRP c1cc(C[NH+]2CCC[C@@]23CCOC3)cc(C[N@@H+]2CCC[C@@]23CCOC3)c1 ZINC000370725305 499248387 /nfs/dbraw/zinc/24/83/87/499248387.db2.gz QWNGBUOCRCMENZ-VXKWHMMOSA-N 2 0 356.510 3.196 20 0 FGADRP C[NH+]1CCN(CCC[NH2+][C@@H]2CCCOc3c4ccccc4ccc32)CC1 ZINC000370754060 499251554 /nfs/dbraw/zinc/25/15/54/499251554.db2.gz OFVYLLWGOAFPQX-OAQYLSRUSA-N 2 0 353.510 3.281 20 0 FGADRP CO[C@H](C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21)c1ccc(Cl)cc1 ZINC000368480901 499300465 /nfs/dbraw/zinc/30/04/65/499300465.db2.gz CRQJTDWZULFYFJ-FCGDIQPGSA-N 2 0 352.906 3.211 20 0 FGADRP Cc1cccc2c1[nH+]cc(C)c2N1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000368493204 499301550 /nfs/dbraw/zinc/30/15/50/499301550.db2.gz IBJUJKNBHODKQL-QUCCMNQESA-N 2 0 352.526 3.314 20 0 FGADRP C[C@@]1(CN[C@@H](c2ncc[nH]2)c2ccncc2)CC[N@H+](Cc2ccccc2)C1 ZINC000368529488 499304927 /nfs/dbraw/zinc/30/49/27/499304927.db2.gz BTTBGNQKMZTVAZ-IRLDBZIGSA-N 2 0 361.493 3.396 20 0 FGADRP COc1ccc(-c2nc(CN3CCO[C@@H]4C[C@@H]([NH+](C)C)CC[C@@H]43)co2)cc1 ZINC000371292819 499306520 /nfs/dbraw/zinc/30/65/20/499306520.db2.gz DFUUPWPRYYDDQC-YSIASYRMSA-N 2 0 371.481 3.034 20 0 FGADRP Cc1cccc(C(C)C)c1NC(=O)CN1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000371293586 499306777 /nfs/dbraw/zinc/30/67/77/499306777.db2.gz HAAOZYOHZNVPQO-YZGWKJHDSA-N 2 0 373.541 3.240 20 0 FGADRP Cc1cc(C[NH+]2CCC(C)(C[NH+]3CCN(C)CC3)CC2)c2ccccc2n1 ZINC000368827109 499337111 /nfs/dbraw/zinc/33/71/11/499337111.db2.gz YNMGSHPHIMGVBC-UHFFFAOYSA-N 2 0 366.553 3.393 20 0 FGADRP O=C(NCCCC[NH+]1CCCC1)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000371572555 499343186 /nfs/dbraw/zinc/34/31/86/499343186.db2.gz YKTJGUMKAYHCTL-HXUWFJFHSA-N 2 0 364.578 3.160 20 0 FGADRP C[C@@H]1CN(Cc2csc(C(C)(C)C)n2)CCN1C1CC[NH+](C)CC1 ZINC000371693163 499355686 /nfs/dbraw/zinc/35/56/86/499355686.db2.gz OUDKFTGOUGQXGR-OAHLLOKOSA-N 2 0 350.576 3.041 20 0 FGADRP Cn1cc(C[NH2+]C[C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)c(-c2cccnc2)n1 ZINC000371722117 499358768 /nfs/dbraw/zinc/35/87/68/499358768.db2.gz CSOQWAJVXJQZFL-DENIHFKCSA-N 2 0 361.493 3.265 20 0 FGADRP Cc1ncc(CN2CC[C@@H]([NH2+]Cc3cnc4cccc(C)n34)[C@H](C)C2)s1 ZINC000371884936 499375484 /nfs/dbraw/zinc/37/54/84/499375484.db2.gz WXEPHRVLZUOOOR-AUUYWEPGSA-N 2 0 369.538 3.408 20 0 FGADRP C[C@H]([NH2+]C(C)(C)CNC(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000369314658 499390697 /nfs/dbraw/zinc/39/06/97/499390697.db2.gz CVAWZGKUGSNMGK-UHOSZYNNSA-N 2 0 358.530 3.042 20 0 FGADRP C[C@@H]1C[N@H+](CC2CCC(C(F)(F)F)CC2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000372112760 499400312 /nfs/dbraw/zinc/40/03/12/499400312.db2.gz JUNLQOGBKFLROT-AQEOSJORSA-N 2 0 361.496 3.313 20 0 FGADRP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N2CC[C@@H]([NH+]3CCCC3)C2)CC1 ZINC000369449703 499404441 /nfs/dbraw/zinc/40/44/41/499404441.db2.gz XPSITIRZRNLADC-WIYYLYMNSA-N 2 0 370.541 3.092 20 0 FGADRP CCn1c(CN[C@@H]2CC[N@H+](C[C@@H]3CCCO3)C[C@H]2C)nc2cc(F)ccc21 ZINC000372352931 499423950 /nfs/dbraw/zinc/42/39/50/499423950.db2.gz ASEGJHZGIJPJIY-BPQIPLTHSA-N 2 0 374.504 3.174 20 0 FGADRP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1NCc1ncc(-c2cccc(F)c2)o1 ZINC000372353677 499424130 /nfs/dbraw/zinc/42/41/30/499424130.db2.gz HFBNXDKDFZXFKK-MNEFBYGVSA-N 2 0 373.472 3.460 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)N2CCCC23CC[NH+](C)CC3)C1 ZINC000372436581 499434368 /nfs/dbraw/zinc/43/43/68/499434368.db2.gz UIXSZKNVXBKOAS-KDURUIRLSA-N 2 0 364.578 3.014 20 0 FGADRP C[NH+](C)CCCC1CC[NH+](CC(=O)N2CCC[C@H]2c2ccsc2)CC1 ZINC000372452178 499436724 /nfs/dbraw/zinc/43/67/24/499436724.db2.gz WNNFSCWEKNZYEV-IBGZPJMESA-N 2 0 363.571 3.465 20 0 FGADRP Cc1c(-c2cc(C[NH+]3CCC4(C[C@H]4C[N@H+](C)C4CC4)CC3)on2)cnn1C ZINC000373352568 499465008 /nfs/dbraw/zinc/46/50/08/499465008.db2.gz FRIRRTSNRVZFTL-INIZCTEOSA-N 2 0 369.513 3.080 20 0 FGADRP C[C@@H]1C[N@H+](CCCSCc2ccccc2)CCN1C1CC[NH+](C)CC1 ZINC000373527791 499475209 /nfs/dbraw/zinc/47/52/09/499475209.db2.gz FIQIYEZNUOOXBY-LJQANCHMSA-N 2 0 361.599 3.410 20 0 FGADRP C[C@@H]1CCC[N@@H+]1C1CCN(C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)CC1 ZINC000378201310 499489854 /nfs/dbraw/zinc/48/98/54/499489854.db2.gz NMGXDTJEBAAMRC-SJLPKXTDSA-N 2 0 352.567 3.011 20 0 FGADRP Cc1cccc(N2CC[NH+](CCCC[NH2+][C@@H](C)c3cncnc3C)CC2)c1 ZINC000573220030 506147563 /nfs/dbraw/zinc/14/75/63/506147563.db2.gz VNWKTBJYHKQVSI-IBGZPJMESA-N 2 0 367.541 3.346 20 0 FGADRP Cc1ccnc([C@H](C)[NH2+]CC2CC[NH+](C[C@@H](O)c3ccccc3)CC2)c1 ZINC000375781895 499555337 /nfs/dbraw/zinc/55/53/37/499555337.db2.gz BZPJJCXVVUXXRT-PGRDOPGGSA-N 2 0 353.510 3.486 20 0 FGADRP COc1cc([C@@H](C)[NH2+]CCN2CC[NH+](Cc3ccccc3)CC2)ccc1F ZINC000390898361 499556131 /nfs/dbraw/zinc/55/61/31/499556131.db2.gz FQUSQVIHFIRHMI-GOSISDBHSA-N 2 0 371.500 3.303 20 0 FGADRP COc1ccc(C)cc1C[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000397500859 499564185 /nfs/dbraw/zinc/56/41/85/499564185.db2.gz XNORUKGRLTYLMX-UHFFFAOYSA-N 2 0 354.494 3.120 20 0 FGADRP CCc1nccn1C[C@@H]1CCCN1C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000375880492 499564294 /nfs/dbraw/zinc/56/42/94/499564294.db2.gz MYFUACFNRBYZHU-MJGOQNOKSA-N 2 0 358.530 3.091 20 0 FGADRP CCc1nccn1C[C@H]1CCCN1C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000375880491 499564302 /nfs/dbraw/zinc/56/43/02/499564302.db2.gz MYFUACFNRBYZHU-IEBWSBKVSA-N 2 0 358.530 3.091 20 0 FGADRP OC1(C[NH2+]Cc2cccc3cccnc32)CC[NH+](Cc2ccccc2)CC1 ZINC000397495518 499564337 /nfs/dbraw/zinc/56/43/37/499564337.db2.gz AFNPFAGARCSNTR-UHFFFAOYSA-N 2 0 361.489 3.352 20 0 FGADRP C[C@@H]1CN(C(=O)CC[C@@H]2CCC[NH2+]C2)[C@H](C)[C@H](C)[N@@H+]1Cc1ccccc1 ZINC000404307301 499570165 /nfs/dbraw/zinc/57/01/65/499570165.db2.gz CPOSYZNUBBZDAI-WCIQWLHISA-N 2 0 357.542 3.276 20 0 FGADRP C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)NCc1ccccc1C[NH+]1CCC(C)CC1 ZINC000582171319 506150421 /nfs/dbraw/zinc/15/04/21/506150421.db2.gz DVETZYGRJSBOHV-NQIIRXRSSA-N 2 0 372.557 3.330 20 0 FGADRP c1ccc(C[NH+]2CCC(NC[C@H]3CCC[N@@H+]3C3CCCCC3)CC2)nc1 ZINC000376003917 499575456 /nfs/dbraw/zinc/57/54/56/499575456.db2.gz PMNZDMGQXUSZPH-JOCHJYFZSA-N 2 0 356.558 3.433 20 0 FGADRP O[C@H](Cc1ccccc1)C[N@@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000409446137 499596621 /nfs/dbraw/zinc/59/66/21/499596621.db2.gz NKIRJJURZDKTIV-XPWALMASSA-N 2 0 350.506 3.044 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC000376584144 499620673 /nfs/dbraw/zinc/62/06/73/499620673.db2.gz LXIFLVRLEFVCQB-YCMWJMFESA-N 2 0 364.578 3.011 20 0 FGADRP CC(C)C[C@@H]([NH3+])c1noc(-c2ccc(N3CC[NH+](C(C)C)CC3)cc2)n1 ZINC000579352416 506153945 /nfs/dbraw/zinc/15/39/45/506153945.db2.gz AXZVPZUJOROUEG-GOSISDBHSA-N 2 0 357.502 3.313 20 0 FGADRP CCC[NH+]1CCN(C2CC[NH+](C/C=C/c3ccc(F)c(F)c3)CC2)CC1 ZINC000377551532 499704037 /nfs/dbraw/zinc/70/40/37/499704037.db2.gz YKCMPMXYVMKKSW-ONEGZZNKSA-N 2 0 363.496 3.470 20 0 FGADRP COC(=O)[C@H]1CC12CC[NH+](Cc1cccc(C[NH+]3CCCCC3)c1)CC2 ZINC000411273029 499720264 /nfs/dbraw/zinc/72/02/64/499720264.db2.gz BWHNIEAXAFFUIB-HXUWFJFHSA-N 2 0 356.510 3.448 20 0 FGADRP Cc1nnc([C@H]2CCC[N@H+](Cc3cccc(C[NH+]4CCCCC4)c3)C2)[nH]1 ZINC000411351948 499728439 /nfs/dbraw/zinc/72/84/39/499728439.db2.gz URALKMNNHWIOOE-FQEVSTJZSA-N 2 0 353.514 3.479 20 0 FGADRP C[NH+](C)CCc1ccc(NC(=O)C2CC[NH+](Cc3cccnc3)CC2)cc1 ZINC000377808497 499737173 /nfs/dbraw/zinc/73/71/73/499737173.db2.gz GLYSSEQYHFZPEM-UHFFFAOYSA-N 2 0 366.509 3.036 20 0 FGADRP Cc1ccc2ncc(C[N@@H+]3CCN(C4CC[NH+](C)CC4)[C@@H](C)C3)cc2c1 ZINC000411435565 499739854 /nfs/dbraw/zinc/73/98/54/499739854.db2.gz ZTNGHOFYTNRBOH-SFHVURJKSA-N 2 0 352.526 3.144 20 0 FGADRP CC(C)[NH+]1CCN([C@H]2CC[N@H+](Cc3cnc(-c4ccccc4)s3)C2)CC1 ZINC000377832439 499740402 /nfs/dbraw/zinc/74/04/02/499740402.db2.gz RYMWQKRRMFSOAJ-IBGZPJMESA-N 2 0 370.566 3.410 20 0 FGADRP CCC(CC)[C@H]([NH2+]CC(=O)NC1CC[NH+](CC)CC1)c1cccs1 ZINC000411448696 499741764 /nfs/dbraw/zinc/74/17/64/499741764.db2.gz FIJRGMGQVJFCDP-IBGZPJMESA-N 2 0 351.560 3.416 20 0 FGADRP C[N@H+](Cc1ccc(N2CCCC2)nc1)C1CCN(Cc2ccncc2)CC1 ZINC000377927869 499748844 /nfs/dbraw/zinc/74/88/44/499748844.db2.gz ZXZVPEWJRNMZDG-UHFFFAOYSA-N 2 0 365.525 3.173 20 0 FGADRP CC(C)[NH+]1CCC(NC(=O)C[NH2+][C@@H]2CCCC[C@@H]2Cc2ccccc2)CC1 ZINC000411555288 499762564 /nfs/dbraw/zinc/76/25/64/499762564.db2.gz VPJDHOAWILAJPY-IFMALSPDSA-N 2 0 371.569 3.367 20 0 FGADRP COc1cccc2c1C[C@H]([NH2+][C@H](C)c1cccc(OCC[NH+](C)C)c1)C2 ZINC000414173548 499765406 /nfs/dbraw/zinc/76/54/06/499765406.db2.gz FUJWWUKDXCXMOI-VQIMIIECSA-N 2 0 354.494 3.454 20 0 FGADRP COc1cccc2c1C[C@H]([NH2+][C@H](C)c1ccc(OCC[NH+](C)C)cc1)C2 ZINC000414190757 499767236 /nfs/dbraw/zinc/76/72/36/499767236.db2.gz ROACXSQFOLQZKL-VQIMIIECSA-N 2 0 354.494 3.454 20 0 FGADRP CS(=O)(=O)c1ccc(C[NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)s1 ZINC000414265671 499772858 /nfs/dbraw/zinc/77/28/58/499772858.db2.gz RITAIWVLAFFELD-UHFFFAOYSA-N 2 0 364.536 3.037 20 0 FGADRP C[C@@H]1CC[C@H]([NH2+]Cc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)C[C@@H]1C ZINC000414344410 499779589 /nfs/dbraw/zinc/77/95/89/499779589.db2.gz RLRIYMYKCUNGBK-WWMYMODYSA-N 2 0 357.542 3.298 20 0 FGADRP C[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)[C@@H]1C ZINC000414346376 499779634 /nfs/dbraw/zinc/77/96/34/499779634.db2.gz UTCAWHRUFFRYRT-CBGDNZLLSA-N 2 0 357.542 3.298 20 0 FGADRP CCCNC(=O)CCC[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000411763531 499787578 /nfs/dbraw/zinc/78/75/78/499787578.db2.gz YQGXHCMLKMBZGQ-UHFFFAOYSA-N 2 0 357.542 3.281 20 0 FGADRP CC(CC[NH+]1CC[C@]2(C1)CCCOC2)CC[N@@H+]1CC[C@]2(C1)CCCOC2 ZINC000411767642 499788454 /nfs/dbraw/zinc/78/84/54/499788454.db2.gz ODXXQWCNWDVVKV-VXKWHMMOSA-N 2 0 364.574 3.408 20 0 FGADRP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+]2CC(C)(C)C[C@H]2C)CC1 ZINC000412044457 499816520 /nfs/dbraw/zinc/81/65/20/499816520.db2.gz OOTGOHZOLRBEQO-GOSISDBHSA-N 2 0 357.542 3.196 20 0 FGADRP CCCC[N@@H+](Cc1ccccc1Cl)C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414696189 499821165 /nfs/dbraw/zinc/82/11/65/499821165.db2.gz PRXCXQFTAKBJHN-INIZCTEOSA-N 2 0 351.922 3.139 20 0 FGADRP C[C@H]1C[C@@H](C[N@@H+]2CCCN(C(=O)Nc3cccc(Cl)c3)CC2)CC[NH2+]1 ZINC000414735255 499824774 /nfs/dbraw/zinc/82/47/74/499824774.db2.gz CFWSZVQTZBDMCM-HOTGVXAUSA-N 2 0 364.921 3.268 20 0 FGADRP C[C@H](c1ccc(Cl)c(Cl)c1)[N@H+](C)C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414738553 499824977 /nfs/dbraw/zinc/82/49/77/499824977.db2.gz PHEVJMGIKZHXQZ-CHWSQXEVSA-N 2 0 358.313 3.184 20 0 FGADRP COCC[N@@H+](Cc1cc(Br)cs1)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414756217 499827269 /nfs/dbraw/zinc/82/72/69/499827269.db2.gz JDAPCLQYZXHBBY-OLZOCXBDSA-N 2 0 361.349 3.347 20 0 FGADRP CCCCOc1cc(C[NH+]2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)ccc1OC ZINC000414785853 499831008 /nfs/dbraw/zinc/83/10/08/499831008.db2.gz JVUPBRRLOZAMEH-NQIIRXRSSA-N 2 0 362.514 3.202 20 0 FGADRP C[C@H]([NH3+])c1ccc(C[NH2+]Cc2c[nH]nc2-c2ccc3c(c2)OCO3)cc1 ZINC000414816069 499834101 /nfs/dbraw/zinc/83/41/01/499834101.db2.gz ZDSIIUKXGHAGIQ-ZDUSSCGKSA-N 2 0 350.422 3.115 20 0 FGADRP Clc1ccc(OC[C@@H]2CCCO2)c(C[NH2+]CC[C@@H]2CCC[NH2+]C2)c1 ZINC000414831385 499835209 /nfs/dbraw/zinc/83/52/09/499835209.db2.gz DBUSLFFVEKMYFY-YJBOKZPZSA-N 2 0 352.906 3.377 20 0 FGADRP CN(c1ccccc1C[NH2+]C[C@H](N)c1ccccc1)C1CC[NH+](C)CC1 ZINC000414832249 499835221 /nfs/dbraw/zinc/83/52/21/499835221.db2.gz OGBMDXLLKSYTTK-NRFANRHFSA-N 2 0 352.526 3.007 20 0 FGADRP C[C@H]([NH2+]Cc1cc(Br)c2c(c1)OCCCO2)[C@H]1CCC[NH2+]C1 ZINC000414851941 499837957 /nfs/dbraw/zinc/83/79/57/499837957.db2.gz JQBUQFWFIVIPAM-JSGCOSHPSA-N 2 0 369.303 3.088 20 0 FGADRP CC(C)c1ccc([C@@H]([NH3+])CNCc2ccc(S(C)(=O)=O)s2)cc1 ZINC000414853897 499838174 /nfs/dbraw/zinc/83/81/74/499838174.db2.gz YNECCCOYQGAFRN-INIZCTEOSA-N 2 0 352.525 3.065 20 0 FGADRP COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]C[C@@]1(C)CCC[NH2+]C1 ZINC000414902226 499843377 /nfs/dbraw/zinc/84/33/77/499843377.db2.gz GYGWWULQSFIPIP-UGSOOPFHSA-N 2 0 353.894 3.045 20 0 FGADRP C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+]C[C@]1(C)CCC[NH2+]C1 ZINC000414916700 499844254 /nfs/dbraw/zinc/84/42/54/499844254.db2.gz QDOQADNNXKQNCY-CXAGYDPISA-N 2 0 373.419 3.282 20 0 FGADRP [NH3+]C[C@@H](NC(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1)C1CCCC1 ZINC000414968007 499849889 /nfs/dbraw/zinc/84/98/89/499849889.db2.gz QXSXEHIMIMLNPQ-HXUWFJFHSA-N 2 0 358.530 3.354 20 0 FGADRP C[C@@H]1CCCN(C(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)[C@@H]1C[NH3+] ZINC000414974040 499850535 /nfs/dbraw/zinc/85/05/35/499850535.db2.gz JQEDPOIYFGWHMO-YLJYHZDGSA-N 2 0 358.530 3.306 20 0 FGADRP C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]C[C@H]1CCC[C@H]([NH3+])C1 ZINC000414992644 499852449 /nfs/dbraw/zinc/85/24/49/499852449.db2.gz BWOGTCJJEXOVOB-VYDXJSESSA-N 2 0 351.922 3.184 20 0 FGADRP Cc1cccc2ncc(C[NH2+]C[C@@H]3C[NH2+]CC[C@@H]3c3ccc(F)cc3)n21 ZINC000414999165 499853237 /nfs/dbraw/zinc/85/32/37/499853237.db2.gz IZAASOURPOYCMK-FXAWDEMLSA-N 2 0 352.457 3.265 20 0 FGADRP CCOc1cc(C[NH2+]C[C@H]2CCC[C@H]([NH3+])C2)cc(Br)c1OC ZINC000415004184 499853958 /nfs/dbraw/zinc/85/39/58/499853958.db2.gz XTUWEZKLDWLNJZ-JSGCOSHPSA-N 2 0 371.319 3.464 20 0 FGADRP C[C@H](CCCC[NH3+])[NH2+][C@H](C)CC(=O)Nc1cccc(Br)c1 ZINC000415013795 499855057 /nfs/dbraw/zinc/85/50/57/499855057.db2.gz KYZXDEZHXBEDTM-CHWSQXEVSA-N 2 0 356.308 3.273 20 0 FGADRP CC(C)(C[NH2+]C[C@H]1CCCN(C(=O)C[NH3+])C1)c1c(Cl)cccc1Cl ZINC000415100130 499863278 /nfs/dbraw/zinc/86/32/78/499863278.db2.gz HLSFHUILDVOFRI-CYBMUJFWSA-N 2 0 372.340 3.058 20 0 FGADRP CC[C@H](C(=O)N1CCC([NH2+][C@H](C)C[C@@H]2CCC[NH2+]2)CC1)c1ccccc1 ZINC000415099323 499863300 /nfs/dbraw/zinc/86/33/00/499863300.db2.gz GTCFOVGIDKTONH-QMMLZNLJSA-N 2 0 357.542 3.291 20 0 FGADRP CC(C)(C[NH2+]C[C@@H]1CCCN(C(=O)C[NH3+])C1)c1c(Cl)cccc1Cl ZINC000415100132 499863314 /nfs/dbraw/zinc/86/33/14/499863314.db2.gz HLSFHUILDVOFRI-ZDUSSCGKSA-N 2 0 372.340 3.058 20 0 FGADRP [NH3+][C@H]1CCO[C@@H](C2CC[NH+](Cc3cccc(OC(F)(F)F)c3)CC2)C1 ZINC000415122366 499866537 /nfs/dbraw/zinc/86/65/37/499866537.db2.gz JXLDVZAAJZVZHG-DOTOQJQBSA-N 2 0 358.404 3.304 20 0 FGADRP CC(C)[N@@H+]1CCc2nc(CN3CC[NH2+]C[C@H]3c3ccccc3)sc2C1 ZINC000415131933 499868046 /nfs/dbraw/zinc/86/80/46/499868046.db2.gz STOPQKFGXSUTAA-SFHVURJKSA-N 2 0 356.539 3.056 20 0 FGADRP [NH3+][C@H]1CCCO[C@@H]1C1CC[NH+](Cc2ccccc2Br)CC1 ZINC000415134927 499868882 /nfs/dbraw/zinc/86/88/82/499868882.db2.gz WLJDQWUXDUEVMC-DLBZAZTESA-N 2 0 353.304 3.167 20 0 FGADRP C[C@H]1C[C@H](N(C)C(=O)C23CCC[NH+]2CCC3)CC[N@@H+]1Cc1ccccc1 ZINC000415201386 499876448 /nfs/dbraw/zinc/87/64/48/499876448.db2.gz KOXQAMDGNSJJPC-AZUAARDMSA-N 2 0 355.526 3.126 20 0 FGADRP [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000415314622 499885736 /nfs/dbraw/zinc/88/57/36/499885736.db2.gz XXMKRJZZPYQIQI-PXNSSMCTSA-N 2 0 374.529 3.190 20 0 FGADRP C[NH2+]Cc1ccccc1NC(=O)N(CC[NH+](C)C)Cc1cccc(C)c1 ZINC000415911035 499927468 /nfs/dbraw/zinc/92/74/68/499927468.db2.gz IXBDEDRQTQYARK-UHFFFAOYSA-N 2 0 354.498 3.310 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)Nc2ccc(OCC[NH3+])cc2)C1 ZINC000415930517 499929734 /nfs/dbraw/zinc/92/97/34/499929734.db2.gz ABVHZNXHHFOCDZ-MSOLQXFVSA-N 2 0 374.529 3.142 20 0 FGADRP [NH3+]CCOc1ccc(NC(=O)NC[C@H]2CCC[N@@H+]2CC2CCCCC2)cc1 ZINC000415931817 499929993 /nfs/dbraw/zinc/92/99/93/499929993.db2.gz CIGAYROTKHRGHA-LJQANCHMSA-N 2 0 374.529 3.190 20 0 FGADRP C[NH2+]Cc1cccc(NC(=O)N2CCC[N@H+](Cc3ccccc3)CC2)c1 ZINC000415932003 499930054 /nfs/dbraw/zinc/93/00/54/499930054.db2.gz NASGXXRIZCURKL-UHFFFAOYSA-N 2 0 352.482 3.146 20 0 FGADRP C[NH2+]Cc1cccc(NC(=O)N[C@@H](C[NH+](C)C)c2ccc(Cl)cc2)c1 ZINC000415933058 499930246 /nfs/dbraw/zinc/93/02/46/499930246.db2.gz OUJNSYWEGZKECF-SFHVURJKSA-N 2 0 360.889 3.484 20 0 FGADRP CC[N@@H+]1C[C@H](C)N(C(=O)Nc2cc(C[NH3+])cc(C(F)(F)F)c2)C[C@@H]1C ZINC000415964983 499934768 /nfs/dbraw/zinc/93/47/68/499934768.db2.gz YXSXQGJYKOQHPM-RYUDHWBXSA-N 2 0 358.408 3.111 20 0 FGADRP C[NH2+]Cc1ccc(NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000415977789 499936664 /nfs/dbraw/zinc/93/66/64/499936664.db2.gz YRNRNGCKNNAFER-UWJYYQICSA-N 2 0 366.509 3.438 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000415979485 499936752 /nfs/dbraw/zinc/93/67/52/499936752.db2.gz QXKOBBAIBJYQPS-FQEVSTJZSA-N 2 0 367.497 3.059 20 0 FGADRP O=C(Nc1ccc2c(c1)C[NH2+]C2)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000415998901 499939506 /nfs/dbraw/zinc/93/95/06/499939506.db2.gz UECIYCBHTXUJKM-UHFFFAOYSA-N 2 0 356.514 3.410 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)Nc1ccc2c(c1)C[NH2+]C2)Cc1ccccc1 ZINC000416022461 499941964 /nfs/dbraw/zinc/94/19/64/499941964.db2.gz ZBBIYIYSAGJNMB-OAQYLSRUSA-N 2 0 366.509 3.364 20 0 FGADRP C[NH+](C)[C@@H](CC(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1)c1ccccc1 ZINC000416118965 499950031 /nfs/dbraw/zinc/95/00/31/499950031.db2.gz AWUYIXCVQXEHHE-OALUTQOASA-N 2 0 355.482 3.226 20 0 FGADRP C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)N(CCC[NH3+])Cc2ccccc2)C1 ZINC000417029644 499952084 /nfs/dbraw/zinc/95/20/84/499952084.db2.gz CJWNHZPWFATPFM-PMACEKPBSA-N 2 0 374.573 3.305 20 0 FGADRP C[C@@H]1[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000576478221 506168352 /nfs/dbraw/zinc/16/83/52/506168352.db2.gz SSPHKXGNCMHZPT-XMSQKQJNSA-N 2 0 365.521 3.184 20 0 FGADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]CCNc1ncc(C(F)(F)F)cc1Cl ZINC000573315582 506169619 /nfs/dbraw/zinc/16/96/19/506169619.db2.gz FWNCBPRVJRUUTQ-CHWSQXEVSA-N 2 0 350.816 3.415 20 0 FGADRP [NH3+][C@H]1CCCCC[C@H]1[NH2+]CCNc1ncc(C(F)(F)F)cc1Cl ZINC000573315584 506169728 /nfs/dbraw/zinc/16/97/28/506169728.db2.gz FWNCBPRVJRUUTQ-QWHCGFSZSA-N 2 0 350.816 3.415 20 0 FGADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)NCc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000570449166 506169884 /nfs/dbraw/zinc/16/98/84/506169884.db2.gz NHTRRGGJTWNOEK-IAGOWNOFSA-N 2 0 368.525 3.340 20 0 FGADRP C[C@@H](CCCC[NH3+])NC(=O)NC[C@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC000417220700 500009170 /nfs/dbraw/zinc/00/91/70/500009170.db2.gz YWHXDWPEEWTHGT-AZUAARDMSA-N 2 0 360.546 3.276 20 0 FGADRP COC(=O)[C@@H]1C[N@H+](CC[C@@H]2CCC[NH+]2C)C[C@H]1c1ccc(Cl)cc1 ZINC000429137843 500010750 /nfs/dbraw/zinc/01/07/50/500010750.db2.gz UIKWKYOXEKYTTK-OKZBNKHCSA-N 2 0 350.890 3.013 20 0 FGADRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCCC[C@H]2[C@@H]2CCC[NH2+]C2)C1 ZINC000417236578 500013864 /nfs/dbraw/zinc/01/38/64/500013864.db2.gz GDGYHVKFRYAEAZ-QRVBRYPASA-N 2 0 364.578 3.061 20 0 FGADRP CCCN1C[C@H](C[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CC1=O ZINC000421351259 500023305 /nfs/dbraw/zinc/02/33/05/500023305.db2.gz MHQSVBUUBUQEHI-LNRXMEIDSA-N 2 0 369.553 3.135 20 0 FGADRP C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)N[C@@](C)(C[NH3+])C2CC2)c1 ZINC000429219230 500025749 /nfs/dbraw/zinc/02/57/49/500025749.db2.gz AUWRRIBCOQKBKM-QFIPXVFZSA-N 2 0 351.494 3.176 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)NCC(C)(C)[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000417296792 500032227 /nfs/dbraw/zinc/03/22/27/500032227.db2.gz MRASWAYLSLPUFK-HNNXBMFYSA-N 2 0 374.451 3.125 20 0 FGADRP CCC[C@H]([NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1)[C@H]1CC1(C)C ZINC000417304909 500035349 /nfs/dbraw/zinc/03/53/49/500035349.db2.gz FXBNACHWEWFFIA-MOPGFXCFSA-N 2 0 359.562 3.183 20 0 FGADRP COC1([C@@H](C)[NH2+]C2CC[NH+]([C@@H](C)Cc3ccccc3)CC2)CCOCC1 ZINC000421406374 500040159 /nfs/dbraw/zinc/04/01/59/500040159.db2.gz SXRSLRWSPXAVIY-RBUKOAKNSA-N 2 0 360.542 3.256 20 0 FGADRP CSC[C@@H]1CCC[NH+](CCOCC[N@H+]2CCC[C@H](CSC)C2)C1 ZINC000429289538 500044207 /nfs/dbraw/zinc/04/42/07/500044207.db2.gz BZSNMAKVYMEYAL-HDICACEKSA-N 2 0 360.633 3.153 20 0 FGADRP C[NH2+]CCC1CCN(C(=O)NC[C@@H](c2ccc(C)cc2)[NH+]2CCCC2)CC1 ZINC000417358147 500048317 /nfs/dbraw/zinc/04/83/17/500048317.db2.gz SNJHTTLSNFXOCC-NRFANRHFSA-N 2 0 372.557 3.163 20 0 FGADRP COc1cc2[nH+]ccc(N3CC[N@H+](C)C[C@H]3C)c2cc1Br ZINC000425231796 500050886 /nfs/dbraw/zinc/05/08/86/500050886.db2.gz SVPZQRSGPJIJOB-LLVKDONJSA-N 2 0 350.260 3.146 20 0 FGADRP CC[N@H+](C)Cc1cccc(CNC(=O)N(CCC[NH3+])CC2CCCC2)c1 ZINC000417408888 500064844 /nfs/dbraw/zinc/06/48/44/500064844.db2.gz UXAGUQMSEHNIEG-UHFFFAOYSA-N 2 0 360.546 3.189 20 0 FGADRP C[NH2+]C[C@H]1CCCN1C(=O)c1cccc(C[N@H+](C)Cc2ccccc2)c1 ZINC000429502388 500089084 /nfs/dbraw/zinc/08/90/84/500089084.db2.gz ZPSCPJJCLXHZLC-OAQYLSRUSA-N 2 0 351.494 3.143 20 0 FGADRP CC(C)[C@H]([NH3+])CNC(=O)NCCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000417564764 500110474 /nfs/dbraw/zinc/11/04/74/500110474.db2.gz PCJGBLAIMJBCBH-OAQYLSRUSA-N 2 0 374.573 3.004 20 0 FGADRP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCc2ccc([C@H](C)[NH3+])cc2)C1 ZINC000417585541 500117935 /nfs/dbraw/zinc/11/79/35/500117935.db2.gz PIQXGVYUEBYVOZ-IRXDYDNUSA-N 2 0 360.546 3.406 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)NCC[C@H]1CC[NH2+]C1)c1ccccc1Cl ZINC000416839233 500134405 /nfs/dbraw/zinc/13/44/05/500134405.db2.gz JVEPSCGGOFLACC-QAPCUYQASA-N 2 0 366.937 3.022 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N[C@H]1CC[NH2+]C[C@@H]1C)c1ccccc1Cl ZINC000416842299 500135317 /nfs/dbraw/zinc/13/53/17/500135317.db2.gz NBLRGLMEURWCGV-JCGIZDLHSA-N 2 0 366.937 3.020 20 0 FGADRP C[NH+](C)C1(CNC(=O)N2CCC([C@H]3[NH2+]CC3(C)C)CC2)CCCCCC1 ZINC000416843750 500136280 /nfs/dbraw/zinc/13/62/80/500136280.db2.gz ATLUPQITQRTNRR-GOSISDBHSA-N 2 0 364.578 3.061 20 0 FGADRP C[C@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1csc(-c2ccccc2)n1 ZINC000414062732 500142128 /nfs/dbraw/zinc/14/21/28/500142128.db2.gz LUUFHCHORDIJNR-INIZCTEOSA-N 2 0 358.555 3.487 20 0 FGADRP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)N[C@@H](C[NH3+])C2CCCCC2)CC1 ZINC000417677580 500146937 /nfs/dbraw/zinc/14/69/37/500146937.db2.gz GCLHTCPXVUHACN-UWJYYQICSA-N 2 0 372.557 3.419 20 0 FGADRP [NH3+][C@H](CNC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1)c1ccccc1 ZINC000416888484 500148303 /nfs/dbraw/zinc/14/83/03/500148303.db2.gz JALLNIJMBKAGHS-OAQYLSRUSA-N 2 0 366.509 3.172 20 0 FGADRP [NH3+]C1(CNC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)CCCCC1 ZINC000416893980 500149050 /nfs/dbraw/zinc/14/90/50/500149050.db2.gz QDYDYHDHUUHZCY-UHFFFAOYSA-N 2 0 358.530 3.133 20 0 FGADRP CCC(CC)(CNC(=O)N1CCC(C[NH3+])CC1)[NH2+][C@H](C)c1ccccc1 ZINC000417707400 500153211 /nfs/dbraw/zinc/15/32/11/500153211.db2.gz QOCDRHBOGXFASY-QGZVFWFLSA-N 2 0 360.546 3.276 20 0 FGADRP CCC(CC)(CNC(=O)N[C@@H]1CC[NH2+][C@@H](C)C1)[NH2+][C@H](C)c1ccccc1 ZINC000417705159 500153219 /nfs/dbraw/zinc/15/32/19/500153219.db2.gz NFSVAKORSCCACP-YQVWRLOYSA-N 2 0 360.546 3.336 20 0 FGADRP CCC(CC)(CNC(=O)N1CC[C@H]([NH3+])[C@@H](C)C1)[NH2+][C@@H](C)c1ccccc1 ZINC000417709553 500154058 /nfs/dbraw/zinc/15/40/58/500154058.db2.gz SXYCJJZPSZKNSL-LNLFQRSKSA-N 2 0 360.546 3.275 20 0 FGADRP CCC(CC)(CNC(=O)N1CC[C@@]2(CC[NH2+]C2)C1)[NH2+][C@H](C)c1ccccc1 ZINC000417712819 500154591 /nfs/dbraw/zinc/15/45/91/500154591.db2.gz XHTSETBKJSTVNR-WIYYLYMNSA-N 2 0 372.557 3.291 20 0 FGADRP CCC(CC)(CNC(=O)N1CC[C@]2(CC[NH2+]C2)C1)[NH2+][C@H](C)c1ccccc1 ZINC000417712817 500154606 /nfs/dbraw/zinc/15/46/06/500154606.db2.gz XHTSETBKJSTVNR-NQIIRXRSSA-N 2 0 372.557 3.291 20 0 FGADRP COc1ccc([C@@H]([NH2+]C[C@H](C)CN2CC[NH+](C)CC2)C(C)C)c(F)c1 ZINC000421825521 500159970 /nfs/dbraw/zinc/15/99/70/500159970.db2.gz OARNBTCGJLTUJA-JXFKEZNVSA-N 2 0 351.510 3.005 20 0 FGADRP CN(CC[NH3+])C(=O)NCc1ccccc1-c1ccc(C[NH+]2CCCC2)cc1 ZINC000416955409 500165610 /nfs/dbraw/zinc/16/56/10/500165610.db2.gz JEOUWXDSSVRRFZ-UHFFFAOYSA-N 2 0 366.509 3.050 20 0 FGADRP C[NH2+]C[C@@H]1CCCN(C(=O)NCc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)C1 ZINC000416967096 500168758 /nfs/dbraw/zinc/16/87/58/500168758.db2.gz GTGNUIZOSHDRSR-RXVVDRJESA-N 2 0 372.557 3.060 20 0 FGADRP C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N(C)CC(C)(C)C[NH3+])C1 ZINC000416967766 500168763 /nfs/dbraw/zinc/16/87/63/500168763.db2.gz HNEKQGQODHDVFC-QGZVFWFLSA-N 2 0 360.546 3.045 20 0 FGADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000416968392 500169337 /nfs/dbraw/zinc/16/93/37/500169337.db2.gz IXJMBLXHOPUVJZ-WIYYLYMNSA-N 2 0 374.573 3.433 20 0 FGADRP C[C@H](CCCC[NH3+])NC(=O)NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000416971579 500170571 /nfs/dbraw/zinc/17/05/71/500170571.db2.gz PVYVMTRAENYAPB-ZWKOTPCHSA-N 2 0 360.546 3.235 20 0 FGADRP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)NCc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)C1 ZINC000416971863 500170631 /nfs/dbraw/zinc/17/06/31/500170631.db2.gz QKTTVEYQPVLOFT-LVCYWYKZSA-N 2 0 372.557 3.187 20 0 FGADRP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000416970561 500170788 /nfs/dbraw/zinc/17/07/88/500170788.db2.gz FEVLXPRXRDAPNS-RXVVDRJESA-N 2 0 372.557 3.330 20 0 FGADRP C[C@@H]1C[C@@H](NC(=O)NCc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)CC[NH2+]1 ZINC000416974434 500172126 /nfs/dbraw/zinc/17/21/26/500172126.db2.gz LJODBSHUVURITF-UWVAXJGDSA-N 2 0 358.530 3.001 20 0 FGADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000416974333 500172223 /nfs/dbraw/zinc/17/22/23/500172223.db2.gz WXYYOCJWDWMPBQ-FQEVSTJZSA-N 2 0 360.546 3.234 20 0 FGADRP C[C@@H](CCNC(=O)N1CCC2(CC[NH2+]CC2)CC1)[N@H+](C)Cc1ccccc1 ZINC000417791489 500173018 /nfs/dbraw/zinc/17/30/18/500173018.db2.gz AAPYEKKSUZTIJK-IBGZPJMESA-N 2 0 372.557 3.072 20 0 FGADRP C[NH2+]C[C@@H]1CCCN(C(=O)NCc2ccccc2C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000416984158 500174918 /nfs/dbraw/zinc/17/49/18/500174918.db2.gz XUABVRNATAUOFR-OALUTQOASA-N 2 0 372.557 3.202 20 0 FGADRP C[NH2+]C[C@@H]1CCCN(C(=O)NCc2ccccc2C[N@@H+]2CCCC[C@H]2C)C1 ZINC000416984157 500175292 /nfs/dbraw/zinc/17/52/92/500175292.db2.gz XUABVRNATAUOFR-MOPGFXCFSA-N 2 0 372.557 3.202 20 0 FGADRP C[C@H]([NH3+])c1ccc(CNC(=O)NCC[C@H](C)[N@H+](C)Cc2ccccc2)cc1 ZINC000417811945 500177158 /nfs/dbraw/zinc/17/71/58/500177158.db2.gz KJTJWWKLHBMOFZ-ROUUACIJSA-N 2 0 368.525 3.416 20 0 FGADRP CN(CC(C)(C)C[NH3+])C(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000416996126 500179251 /nfs/dbraw/zinc/17/92/51/500179251.db2.gz MKRHKUWUNDNREF-KRWDZBQOSA-N 2 0 366.937 3.103 20 0 FGADRP CCCN(C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)C1CC[NH2+]CC1 ZINC000417826349 500179592 /nfs/dbraw/zinc/17/95/92/500179592.db2.gz CECLRQHSPDETAW-QUCCMNQESA-N 2 0 372.557 3.213 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)NC2CCC([NH3+])CC2)C1 ZINC000416999267 500180260 /nfs/dbraw/zinc/18/02/60/500180260.db2.gz LZVLDYNYFMANPO-AGXSTUJCSA-N 2 0 372.557 3.234 20 0 FGADRP CC(C)C[C@@H](CNC(=O)NC1(C)CC[NH2+]CC1)[NH2+][C@H](C)c1ccccc1 ZINC000417867679 500187797 /nfs/dbraw/zinc/18/77/97/500187797.db2.gz FNTMOTDBFDIYKL-MJGOQNOKSA-N 2 0 360.546 3.193 20 0 FGADRP CC[NH+]1CCC(N2CCCN(C(=O)c3ccc(Cl)s3)CC2)CC1 ZINC000422013836 500197772 /nfs/dbraw/zinc/19/77/72/500197772.db2.gz YAQGSHVTCPCKTF-UHFFFAOYSA-N 2 0 355.935 3.034 20 0 FGADRP c1c(C[NH2+][C@@H]2CCC[C@H]2OCc2ccccc2)onc1C1CC[NH2+]CC1 ZINC000425895178 500208713 /nfs/dbraw/zinc/20/87/13/500208713.db2.gz IBWXUXDBQGGJDN-TZIWHRDSSA-N 2 0 355.482 3.369 20 0 FGADRP C[C@@H](NC(=O)N(CCC[NH3+])Cc1ccccc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000417984135 500209572 /nfs/dbraw/zinc/20/95/72/500209572.db2.gz CRFZSDCSORMGBB-UYAOXDASSA-N 2 0 372.557 3.200 20 0 FGADRP CCC[N@H+](C)[C@H](CNC(=O)N1CCC[C@@H]1C[NH2+]C)c1ccc(Cl)cc1 ZINC000418163598 500240389 /nfs/dbraw/zinc/24/03/89/500240389.db2.gz DRMJMVYGZVQVAT-QZTJIDSGSA-N 2 0 366.937 3.116 20 0 FGADRP CCC[N@H+](C)[C@@H](CNC(=O)N1CC[C@@](C)(C[NH3+])C1)c1ccc(Cl)cc1 ZINC000418176936 500243232 /nfs/dbraw/zinc/24/32/32/500243232.db2.gz HLTKOQLGHKFABF-HKUYNNGSSA-N 2 0 366.937 3.103 20 0 FGADRP C[NH2+]CCC1CCN(C(=O)N[C@H](C)[C@@H](c2ccccc2C)[NH+](C)C)CC1 ZINC000418182723 500244515 /nfs/dbraw/zinc/24/45/15/500244515.db2.gz NGGRUTCXEWIKBG-XLIONFOSSA-N 2 0 360.546 3.017 20 0 FGADRP CCc1ccc([C@@H](CNC(=O)N2CCC([C@@H](C)[NH3+])CC2)[NH+](CC)CC)cc1 ZINC000418214896 500250150 /nfs/dbraw/zinc/25/01/50/500250150.db2.gz MIVHRRCMSQTLJH-DYESRHJHSA-N 2 0 374.573 3.401 20 0 FGADRP CC[NH2+]CC1CCN(C(=O)NCC2([N@H+](C)Cc3ccccc3)CCC2)CC1 ZINC000418238296 500254165 /nfs/dbraw/zinc/25/41/65/500254165.db2.gz FGYHLGRHZDZSKB-UHFFFAOYSA-N 2 0 372.557 3.072 20 0 FGADRP CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)N(CCC[NH3+])Cc1ccccc1 ZINC000418241671 500254800 /nfs/dbraw/zinc/25/48/00/500254800.db2.gz TWUITBMJDGKBHA-FQEVSTJZSA-N 2 0 360.546 3.058 20 0 FGADRP [NH3+]CC1CC[NH+](CC(=O)N[C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000430605497 500261467 /nfs/dbraw/zinc/26/14/67/500261467.db2.gz RIKBZKMQZRHSLI-OAQYLSRUSA-N 2 0 371.912 3.216 20 0 FGADRP CC(C)c1ccc([C@@H]([NH3+])CNC(=O)N(CC[NH3+])CCc2ccccc2)cc1 ZINC000418343299 500265351 /nfs/dbraw/zinc/26/53/51/500265351.db2.gz FKRDMYGPLYYRJT-NRFANRHFSA-N 2 0 368.525 3.023 20 0 FGADRP C[NH2+]CCc1ccccc1C(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000422545943 500273519 /nfs/dbraw/zinc/27/35/19/500273519.db2.gz YFFWICBLLZYXKS-UHFFFAOYSA-N 2 0 351.372 3.178 20 0 FGADRP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000418427861 500275594 /nfs/dbraw/zinc/27/55/94/500275594.db2.gz OHENAQLYYLGELV-NJDAHSKKSA-N 2 0 372.557 3.058 20 0 FGADRP C[C@H]([NH3+])c1ccc(CNC(=O)N2CCC[C@H](C[NH+]3CCC(C)CC3)C2)cc1 ZINC000418466246 500279783 /nfs/dbraw/zinc/27/97/83/500279783.db2.gz QXFCKOWNWDETHE-AZUAARDMSA-N 2 0 372.557 3.360 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H](C[NH3+])c2ccc3ccccc3c2)[C@@H](C)C1 ZINC000418486403 500282523 /nfs/dbraw/zinc/28/25/23/500282523.db2.gz JJUBWVKXYYCWEQ-NDXORKPFSA-N 2 0 368.525 3.211 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@H](C[NH3+])c2ccc3ccccc3c2)[C@@H](C)C1 ZINC000418486401 500282819 /nfs/dbraw/zinc/28/28/19/500282819.db2.gz JJUBWVKXYYCWEQ-DQLDELGASA-N 2 0 368.525 3.211 20 0 FGADRP CCCN(C(=O)N[C@H](C[NH3+])c1ccc2ccccc2c1)C1CC[NH2+]CC1 ZINC000418503680 500285591 /nfs/dbraw/zinc/28/55/91/500285591.db2.gz ZEXHQMDTLWMRGV-HXUWFJFHSA-N 2 0 354.498 3.013 20 0 FGADRP COc1ccc(CC[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1F ZINC000422701054 500286977 /nfs/dbraw/zinc/28/69/77/500286977.db2.gz BCOBNHHNWRLWAC-GHTZIAJQSA-N 2 0 356.441 3.222 20 0 FGADRP COc1ccc(CC[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1F ZINC000422701055 500287127 /nfs/dbraw/zinc/28/71/27/500287127.db2.gz BCOBNHHNWRLWAC-NQIIRXRSSA-N 2 0 356.441 3.222 20 0 FGADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]Cc1ccc(OCCC[NH+](C)C)cc1 ZINC000422710469 500287542 /nfs/dbraw/zinc/28/75/42/500287542.db2.gz FVBQPZAZDZENIJ-MRXNPFEDSA-N 3 0 356.514 3.030 20 0 FGADRP CCN(C(=O)NCC1(C)CC[NH2+]CC1)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000418526425 500287786 /nfs/dbraw/zinc/28/77/86/500287786.db2.gz ZTAODMXVQWDQBF-ICSRJNTNSA-N 2 0 372.557 3.243 20 0 FGADRP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)NCC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC000422704688 500288009 /nfs/dbraw/zinc/28/80/09/500288009.db2.gz QFZSTNJQOSLAFP-XMSQKQJNSA-N 2 0 351.538 3.371 20 0 FGADRP COC[C@H](CCC[NH3+])[NH2+]Cc1cccc(NC(=O)c2ccc(C)cc2)c1 ZINC000422716627 500289506 /nfs/dbraw/zinc/28/95/06/500289506.db2.gz URNZVZMUAMHUGP-FQEVSTJZSA-N 2 0 355.482 3.091 20 0 FGADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C1CCN(Cc2ccc(F)cc2)CC1 ZINC000422723363 500290248 /nfs/dbraw/zinc/29/02/48/500290248.db2.gz RDGZNPHJWJSISR-OAHLLOKOSA-N 2 0 356.489 3.303 20 0 FGADRP C[C@H](CC[NH3+])NC(=O)N(CC[N@H+](C)Cc1ccccc1)Cc1ccccc1 ZINC000418554939 500290921 /nfs/dbraw/zinc/29/09/21/500290921.db2.gz NHPZVGDYWULHDG-LJQANCHMSA-N 2 0 368.525 3.068 20 0 FGADRP COc1cccc([C@@H](C[NH2+][C@@H](C)c2ccc(C[NH3+])nc2C)N2CCCC2)c1 ZINC000422756488 500294341 /nfs/dbraw/zinc/29/43/41/500294341.db2.gz IXLIZLGWRHRFJZ-KSFYIVLOSA-N 2 0 368.525 3.345 20 0 FGADRP COc1cccc([C@H](CN[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)[NH+]2CCCC2)c1 ZINC000422760335 500295262 /nfs/dbraw/zinc/29/52/62/500295262.db2.gz LVGLBPWIGAXSFA-KJJMTIBFSA-N 2 0 357.542 3.342 20 0 FGADRP COc1ccc([C@H](N[C@@H]2CC[N@H+](Cc3ccccc3)C2)[C@H]2CCC[NH2+]2)cc1 ZINC000422768522 500295715 /nfs/dbraw/zinc/29/57/15/500295715.db2.gz TXEGWROBHRZMMK-MZYLBHOOSA-N 2 0 365.521 3.352 20 0 FGADRP CCOC(=O)C1([C@H](C)[NH2+][C@H](c2ccc(OC)cc2)C(C)C)CC[NH2+]CC1 ZINC000422793255 500298012 /nfs/dbraw/zinc/29/80/12/500298012.db2.gz WUJPOCOMCZOLMT-LPHOPBHVSA-N 2 0 362.514 3.303 20 0 FGADRP C[C@H](C[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)Oc1cccc(F)c1 ZINC000422790702 500298091 /nfs/dbraw/zinc/29/80/91/500298091.db2.gz PQSHXWIZJLASIT-QFIXIFRTSA-N 2 0 356.441 3.439 20 0 FGADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H]1CCCN(c2ccccc2Cl)C1=O ZINC000422789477 500298224 /nfs/dbraw/zinc/29/82/24/500298224.db2.gz WWQKKFPBKOXGTD-KBXCAEBGSA-N 2 0 372.900 3.348 20 0 FGADRP CCOC(=O)C1([C@@H](C)[NH2+]C[C@H](C)Oc2ccc(Cl)cc2)CC[NH2+]CC1 ZINC000422797455 500299186 /nfs/dbraw/zinc/29/91/86/500299186.db2.gz MPCRJGMGIQNFPI-LSDHHAIUSA-N 2 0 368.905 3.018 20 0 FGADRP Cc1cccc(N2CCN(CCC[NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)CC2)c1 ZINC000422801440 500299792 /nfs/dbraw/zinc/29/97/92/500299792.db2.gz BXOCIZOHCNIGJN-ZRBLBEILSA-N 2 0 370.585 3.017 20 0 FGADRP C[N@H+](CCCN[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)C1CCCCC1 ZINC000422804119 500300182 /nfs/dbraw/zinc/30/01/82/500300182.db2.gz KBAWXJLYWCNFMK-IFMALSPDSA-N 2 0 357.542 3.487 20 0 FGADRP CCc1ccccc1[C@H]([NH3+])CNC(=O)N1CCC(C[NH+](CC)CC)CC1 ZINC000418658065 500302391 /nfs/dbraw/zinc/30/23/91/500302391.db2.gz VFURETBBLIZOPL-HXUWFJFHSA-N 2 0 360.546 3.012 20 0 FGADRP COc1ccc(Cl)cc1NC(=O)CC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000422824161 500302661 /nfs/dbraw/zinc/30/26/61/500302661.db2.gz NEPZDYAUDYHBCJ-BZUAXINKSA-N 2 0 365.905 3.188 20 0 FGADRP COc1cc(Cl)c(C)cc1NC(=O)CC[NH2+][C@@H]1CCCCC[C@@H]1[NH3+] ZINC000422825172 500302670 /nfs/dbraw/zinc/30/26/70/500302670.db2.gz PCQKUMUBAZNZAL-LSDHHAIUSA-N 2 0 353.894 3.235 20 0 FGADRP Cc1cc(Br)cc(C)c1C[NH2+][C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC000422828130 500303446 /nfs/dbraw/zinc/30/34/46/500303446.db2.gz SWXJVQOAWAGVBO-RCCFBDPRSA-N 2 0 367.331 3.313 20 0 FGADRP Cc1cccc(COc2ccc(C[NH2+][C@@H]3CCOC[C@@H]3[C@@H](C)[NH3+])cc2)c1 ZINC000422841558 500304876 /nfs/dbraw/zinc/30/48/76/500304876.db2.gz DCKGTGBHYISXJO-ZPMCFJSWSA-N 2 0 354.494 3.416 20 0 FGADRP [NH3+]CCC[C@@H](NC(=O)N1CC[NH+](CC2CCCCC2)CC1)c1ccccc1 ZINC000418670295 500305142 /nfs/dbraw/zinc/30/51/42/500305142.db2.gz KGXADXQJRKTYRS-OAQYLSRUSA-N 2 0 372.557 3.374 20 0 FGADRP C[C@H](CCCC[NH3+])NC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000418675903 500306102 /nfs/dbraw/zinc/30/61/02/500306102.db2.gz ROFZKRSLZASBEJ-HMXCVIKNSA-N 2 0 372.557 3.200 20 0 FGADRP CCCC[C@H]([NH2+][C@@H](C)C[C@H](C)[NH3+])C(=O)Nc1cccc(N2CCCC2)c1 ZINC000422859596 500306868 /nfs/dbraw/zinc/30/68/68/500306868.db2.gz KMEONLVJUXRBQL-ZWOKBUDYSA-N 2 0 360.546 3.500 20 0 FGADRP C[C@@H]([NH3+])C1CC[NH+](CC(=O)N[C@@H](CC(C)(C)C)c2ccc(F)cc2)CC1 ZINC000430923443 500307846 /nfs/dbraw/zinc/30/78/46/500307846.db2.gz DVGQCHUYLCRIEV-BEFAXECRSA-N 2 0 363.521 3.478 20 0 FGADRP C[C@H](C[C@H](C)[NH3+])[NH2+][C@@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000422873219 500308010 /nfs/dbraw/zinc/30/80/10/500308010.db2.gz KOKCPEZXXPOYMY-HOSYDEDBSA-N 2 0 350.816 3.048 20 0 FGADRP C[C@H](O)C[C@H](C[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1ccccc1 ZINC000422872248 500308087 /nfs/dbraw/zinc/30/80/87/500308087.db2.gz GGUUEGVULHTXSX-FTJYFCJYSA-N 2 0 366.505 3.387 20 0 FGADRP C[C@@H]1CN(c2ccc(C[NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCCC[NH2+]3)cn2)C[C@@H](C)O1 ZINC000422879402 500309695 /nfs/dbraw/zinc/30/96/95/500309695.db2.gz KIAXTYFFAMIKJD-YCXYWVQESA-N 2 0 372.557 3.096 20 0 FGADRP C[NH2+]C[C@H]1CCN(CC(=O)N2CCC[C@H]2c2ccc(C(C)(C)C)cc2)C1 ZINC000430941523 500310452 /nfs/dbraw/zinc/31/04/52/500310452.db2.gz WXAXVVBPSVNJRY-XLIONFOSSA-N 2 0 357.542 3.189 20 0 FGADRP C[C@H](C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2)[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000430939728 500310481 /nfs/dbraw/zinc/31/04/81/500310481.db2.gz MHOYNKNCHJNVLE-YESZJQIVSA-N 2 0 357.542 3.190 20 0 FGADRP C[C@@H]1CCC[N@H+](Cc2ccccc2C[NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000422886728 500310986 /nfs/dbraw/zinc/31/09/86/500310986.db2.gz XIQHKGIYQMESOL-HGSOSGBHSA-N 3 0 371.569 3.165 20 0 FGADRP C[C@H]([NH2+]C[C@H]1CCN(c2cccc(Br)c2)C1)[C@H]1CCC[NH2+]1 ZINC000422896123 500312099 /nfs/dbraw/zinc/31/20/99/500312099.db2.gz HJRHXXRKENNBBA-JJRVBVJISA-N 2 0 352.320 3.006 20 0 FGADRP CC[C@H](C)NC(=O)c1cccc(C[NH2+][C@H](C)c2ccc(C[NH3+])nc2C)c1 ZINC000422893483 500312374 /nfs/dbraw/zinc/31/23/74/500312374.db2.gz QSPHQIYJYQMUIS-LSDHHAIUSA-N 2 0 354.498 3.228 20 0 FGADRP COc1ccc(C2(C[NH2+][C@@H](Cc3ccccc3)[C@@H](C)[NH3+])CCOCC2)cc1 ZINC000422899684 500313078 /nfs/dbraw/zinc/31/30/78/500313078.db2.gz OXLABXSHNNLCIK-GCJKJVERSA-N 2 0 368.521 3.292 20 0 FGADRP C[C@H]([NH3+])C1CC[NH+](CC(=O)N(C)C(c2ccccc2)c2ccccc2)CC1 ZINC000430962961 500313685 /nfs/dbraw/zinc/31/36/85/500313685.db2.gz RIHRFCWRKMGSMG-SFHVURJKSA-N 2 0 365.521 3.294 20 0 FGADRP COc1ccc(Cl)cc1N1CC[C@H]([NH2+][C@@H](Cc2ccccc2)[C@H](C)[NH3+])C1 ZINC000422901376 500314143 /nfs/dbraw/zinc/31/41/43/500314143.db2.gz BWVIADMYUZTGDJ-SNRMKQJTSA-N 2 0 373.928 3.475 20 0 FGADRP COc1ccc(Cl)cc1C1(C[NH2+][C@@H]2CCC[NH2+]CC2)CCOCC1 ZINC000422905144 500314579 /nfs/dbraw/zinc/31/45/79/500314579.db2.gz RKHLEUFAOHYFBN-MRXNPFEDSA-N 2 0 352.906 3.129 20 0 FGADRP CCOC(=O)C1([C@H](C)[NH2+][C@H](C)c2nc3ccccc3n2CC)CC[NH2+]CC1 ZINC000422909313 500315231 /nfs/dbraw/zinc/31/52/31/500315231.db2.gz FPNQMLKJAGLWNO-CVEARBPZSA-N 2 0 372.513 3.028 20 0 FGADRP COc1cccc(OCCC[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000422923359 500317967 /nfs/dbraw/zinc/31/79/67/500317967.db2.gz RUKIQQIFMQVXSU-IFMALSPDSA-N 2 0 368.477 3.310 20 0 FGADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]Cc1ccc(C(=O)N2CCCCC2)cc1 ZINC000422927758 500318402 /nfs/dbraw/zinc/31/84/02/500318402.db2.gz GZFQEOOLNLUAMX-INIZCTEOSA-N 2 0 366.509 3.326 20 0 FGADRP COc1cc(C[NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)ccc1OC1CCCC1 ZINC000422936450 500320003 /nfs/dbraw/zinc/32/00/03/500320003.db2.gz IDOYDXFRQHCADO-HSALFYBXSA-N 2 0 374.525 3.263 20 0 FGADRP c1ccc(-c2ccccc2OCC[NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000422941866 500321384 /nfs/dbraw/zinc/32/13/84/500321384.db2.gz VTYQIUWLORYNFJ-BHIFYINESA-N 2 0 366.505 3.479 20 0 FGADRP CCN(C(=O)NCCC[C@@H]1CCC[NH2+]1)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000418780672 500322563 /nfs/dbraw/zinc/32/25/63/500322563.db2.gz YOPKGHFXYGCZDJ-SESVDKBCSA-N 2 0 372.557 3.386 20 0 FGADRP C[C@@H](C(=O)Nc1ccc(Cl)c(Cl)c1)[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000431012496 500322880 /nfs/dbraw/zinc/32/28/80/500322880.db2.gz FLYWTPOFLQQCPO-LBPRGKRZSA-N 2 0 356.297 3.396 20 0 FGADRP O=C(CCC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1)N1Cc2ccccc2C1 ZINC000422956776 500324156 /nfs/dbraw/zinc/32/41/56/500324156.db2.gz LXMHHQSWXBJAOD-PCCBWWKXSA-N 2 0 355.526 3.209 20 0 FGADRP Fc1ccc(OCC[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1F ZINC000422960781 500324221 /nfs/dbraw/zinc/32/42/21/500324221.db2.gz XRTGZZXPSFVZLV-AZUAARDMSA-N 2 0 360.404 3.189 20 0 FGADRP Cc1nc(-c2cccc(NC(=O)C[NH+]3CCC4(CC[NH2+]C4)CC3)c2)cs1 ZINC000431018866 500324257 /nfs/dbraw/zinc/32/42/57/500324257.db2.gz JTRJUBQISULNDT-UHFFFAOYSA-N 2 0 370.522 3.133 20 0 FGADRP C[C@@H]1C[NH+](CCC2CC[NH+](CCOc3cccc(F)c3)CC2)C[C@@H](C)O1 ZINC000426821331 500324878 /nfs/dbraw/zinc/32/48/78/500324878.db2.gz RUJDYCFWYIQLJB-QZTJIDSGSA-N 2 0 364.505 3.416 20 0 FGADRP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)Nc1cccc(C[NH+]2CCC(CO)CC2)c1 ZINC000422981872 500326368 /nfs/dbraw/zinc/32/63/68/500326368.db2.gz PLMRZIFOVCTOQC-WZONZLPQSA-N 2 0 367.537 3.261 20 0 FGADRP c1ccc2c(c1)CCC[C@@H]2OCCC[NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000422984193 500327090 /nfs/dbraw/zinc/32/70/90/500327090.db2.gz XKYWRGNRXUFCKU-MBDNFAEBSA-N 2 0 358.526 3.217 20 0 FGADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]CC(C)(C)c1ccccc1Br ZINC000422996418 500328342 /nfs/dbraw/zinc/32/83/42/500328342.db2.gz LXQLNDYHDFNHLI-ZENOOKHLSA-N 2 0 355.320 3.069 20 0 FGADRP CCOc1cccc(CC[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000422995406 500328353 /nfs/dbraw/zinc/32/83/53/500328353.db2.gz KCFCYBZQTCEQMD-IFMALSPDSA-N 2 0 352.478 3.473 20 0 FGADRP CCc1ccc([C@H](CO)[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422998477 500329119 /nfs/dbraw/zinc/32/91/19/500329119.db2.gz CXDDOAOJLUQHBZ-JAXLGGSGSA-N 2 0 352.478 3.128 20 0 FGADRP [NH3+][C@@H]1CCCCCC[C@@H]1C(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000431058218 500329613 /nfs/dbraw/zinc/32/96/13/500329613.db2.gz RMQOVOUDRSXPIR-NZSAHSFTSA-N 2 0 363.571 3.374 20 0 FGADRP C[C@H]([NH2+]CCOc1c(Cl)cc(Br)cc1Cl)C1C[NH2+]C1 ZINC000423031746 500332917 /nfs/dbraw/zinc/33/29/17/500332917.db2.gz VKKNHPDUABMOCP-QMMMGPOBSA-N 2 0 368.102 3.332 20 0 FGADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C[C@@H](CO)Cc1cc(F)c(F)c(F)c1 ZINC000423076710 500339418 /nfs/dbraw/zinc/33/94/18/500339418.db2.gz RTCXINMEZZZMET-VNQPRFMTSA-N 2 0 358.448 3.155 20 0 FGADRP Brc1cnn(CCCC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)c1 ZINC000423084738 500339790 /nfs/dbraw/zinc/33/97/90/500339790.db2.gz IRBSVBCUMFMHQH-YESZJQIVSA-N 2 0 369.351 3.326 20 0 FGADRP OC[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1)Cc1cc(F)c(F)c(F)c1 ZINC000423079702 500340017 /nfs/dbraw/zinc/34/00/17/500340017.db2.gz YQQRDVNUNIJEOH-QGWWYQLQSA-N 2 0 370.459 3.155 20 0 FGADRP COC[C@H](CCC[NH3+])[NH2+][C@H]1C[C@H](c2ccc(F)c(Br)c2)C1 ZINC000423093034 500341126 /nfs/dbraw/zinc/34/11/26/500341126.db2.gz FKNDXNAXWSPVAA-IHRRRGAJSA-N 2 0 359.283 3.178 20 0 FGADRP CCOC(=O)C1([C@@H](C)[NH2+][C@@H](C)c2ccc(SC)cc2)CC[NH2+]CC1 ZINC000423107464 500343455 /nfs/dbraw/zinc/34/34/55/500343455.db2.gz RYZULNYICPOGRR-LSDHHAIUSA-N 2 0 350.528 3.381 20 0 FGADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@@H]1CCCN(C(=O)CCC(F)(F)F)C1 ZINC000423112957 500343747 /nfs/dbraw/zinc/34/37/47/500343747.db2.gz SYNSPIBYKWKORW-OWCLPIDISA-N 2 0 363.468 3.220 20 0 FGADRP Fc1ccccc1N1CC[C@H]([NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000423132250 500346619 /nfs/dbraw/zinc/34/66/19/500346619.db2.gz PCCHXUPOTUHPMR-XWFZLUIHSA-N 2 0 367.468 3.250 20 0 FGADRP CC(C)C[C@@H](CN1CCCC1)[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423144504 500347847 /nfs/dbraw/zinc/34/78/47/500347847.db2.gz HGPIPTOWTZLDOS-DWLFOUALSA-N 3 0 357.542 3.342 20 0 FGADRP FC(F)(F)[C@H](CC[NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000423140734 500348036 /nfs/dbraw/zinc/34/80/36/500348036.db2.gz ZJWLQIJQDYDNAJ-ZJPYXAASSA-N 2 0 356.432 3.469 20 0 FGADRP CC(C)OCCOC1CC[NH+]([C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000423154084 500348937 /nfs/dbraw/zinc/34/89/37/500348937.db2.gz IQXNSLFVRIAATG-IRLDBZIGSA-N 2 0 374.525 3.148 20 0 FGADRP Cc1cc(C[NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)ccc1Br ZINC000423163245 500350743 /nfs/dbraw/zinc/35/07/43/500350743.db2.gz MGYVOIDTWHGFFW-USXIJHARSA-N 2 0 353.304 3.004 20 0 FGADRP COc1cccc2c1C[C@H]([NH2+][C@H]1C[C@@]3(CC[NH2+]C3)Oc3ccccc31)C2 ZINC000423171904 500351325 /nfs/dbraw/zinc/35/13/25/500351325.db2.gz QMBOJIBSGZVFAT-GTCCEBARSA-N 2 0 350.462 3.008 20 0 FGADRP C[C@@H](CCc1ccc(I)cc1)[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000423218781 500356229 /nfs/dbraw/zinc/35/62/29/500356229.db2.gz WBJFOMHALRYLTK-DZGCQCFKSA-N 2 0 372.294 3.202 20 0 FGADRP FC(F)(F)c1ccn(-c2ccc(C[N@@H+]3CC[C@@H]4[NH2+]CC[C@H]4C3)cc2)n1 ZINC000427135213 500357543 /nfs/dbraw/zinc/35/75/43/500357543.db2.gz IBGBVYCZVPDBEG-HOCLYGCPSA-N 2 0 350.388 3.075 20 0 FGADRP C[C@H]([NH2+]CC[C@H]1CCC[NH2+]C1)c1ccccc1I ZINC000423264079 500359935 /nfs/dbraw/zinc/35/99/35/500359935.db2.gz XZXZRIHROPGVBP-QWHCGFSZSA-N 2 0 358.267 3.332 20 0 FGADRP C[C@H]([NH2+]CC[C@H]1CCC[NH2+]C1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000423265187 500360230 /nfs/dbraw/zinc/36/02/30/500360230.db2.gz ZMZFOSSQYWOCME-DLBZAZTESA-N 2 0 364.555 3.443 20 0 FGADRP C[NH2+]CCc1ccccc1C(=O)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000423362044 500367311 /nfs/dbraw/zinc/36/73/11/500367311.db2.gz XKUGVTJEBRCRGX-UHFFFAOYSA-N 2 0 357.542 3.177 20 0 FGADRP C[C@H]([NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc(-c2ccccc2)o1 ZINC000423376464 500369101 /nfs/dbraw/zinc/36/91/01/500369101.db2.gz DRNPODGMLMJQDI-KSSFIOAISA-N 2 0 367.415 3.433 20 0 FGADRP CCSc1ccc([C@@H](C)[NH2+][C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)cc1 ZINC000423460315 500375881 /nfs/dbraw/zinc/37/58/81/500375881.db2.gz RVRFKYULKCUMNU-DJKXOVBDSA-N 2 0 361.555 3.096 20 0 FGADRP CC(C)(C)[C@H](C[N@@H+]1CCc2ccccc2C1)NC(=O)C[C@H]1CCC[NH2+]CC1 ZINC000427280837 500377277 /nfs/dbraw/zinc/37/72/77/500377277.db2.gz MDTMRODQUVUFOT-RXVVDRJESA-N 2 0 371.569 3.355 20 0 FGADRP CCc1ccccc1[C@H]([NH3+])CN[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423495351 500379467 /nfs/dbraw/zinc/37/94/67/500379467.db2.gz BWRQLUAMIUBLIX-KCZVDYSFSA-N 2 0 351.494 3.094 20 0 FGADRP COc1ccc([C@H](C)[NH2+]CC2(N)CC[NH+](Cc3ccccc3)CC2)cc1O ZINC000423533738 500383861 /nfs/dbraw/zinc/38/38/61/500383861.db2.gz YJMQCPAYUFCSHK-KRWDZBQOSA-N 2 0 369.509 3.045 20 0 FGADRP C[C@H]([NH2+]CCC1=CC[NH2+]CC1)c1ccccc1I ZINC000423546610 500384180 /nfs/dbraw/zinc/38/41/80/500384180.db2.gz FOLZHCHXBCZCDQ-LBPRGKRZSA-N 2 0 356.251 3.252 20 0 FGADRP C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]CCC1=CC[NH2+]CC1 ZINC000423573121 500385315 /nfs/dbraw/zinc/38/53/15/500385315.db2.gz YVOJXCNNRWEFQR-ZDUSSCGKSA-N 2 0 366.303 3.066 20 0 FGADRP COc1cccc([C@H](C)[NH2+]CC2(N)CC[NH+](Cc3ccccc3)CC2)c1 ZINC000423578407 500385896 /nfs/dbraw/zinc/38/58/96/500385896.db2.gz UMQOFYKARWPFCZ-SFHVURJKSA-N 2 0 353.510 3.339 20 0 FGADRP C[NH+](C)[C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1)c1cccc(F)c1 ZINC000431562459 500392231 /nfs/dbraw/zinc/39/22/31/500392231.db2.gz WYQDFRZATFVNCN-VQTJNVASSA-N 2 0 361.505 3.342 20 0 FGADRP CC1CC[NH+](CCc2cccc(NC(=O)NC3(C[NH3+])CCCC3)c2)CC1 ZINC000582348401 506192822 /nfs/dbraw/zinc/19/28/22/506192822.db2.gz NWIDESNSSKNDCI-UHFFFAOYSA-N 2 0 358.530 3.354 20 0 FGADRP C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)C[C@@H]1CCCC[C@@H]1[NH3+] ZINC000423754502 500399288 /nfs/dbraw/zinc/39/92/88/500399288.db2.gz YROCTJFCQYUIPI-WMZOPIPTSA-N 2 0 351.922 3.138 20 0 FGADRP C[C@@H]([NH3+])c1ccc(C(=O)N2CCC[N@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000423775579 500400906 /nfs/dbraw/zinc/40/09/06/500400906.db2.gz MJUPIAKBWXHONP-ZWKOTPCHSA-N 2 0 351.494 3.443 20 0 FGADRP CC(=O)NC1CCC([NH2+]CC[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC000427559394 500405510 /nfs/dbraw/zinc/40/55/10/500405510.db2.gz LZMNKTGQRALMQV-UGCZDOJFSA-N 2 0 357.542 3.324 20 0 FGADRP CC[NH+](CC)CCCNC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000431700442 500411099 /nfs/dbraw/zinc/41/10/99/500411099.db2.gz VGTNIQBDYATOSI-ICSRJNTNSA-N 2 0 360.546 3.071 20 0 FGADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H]2CCCc3c4cc(C)ccc4[nH]c32)CC1 ZINC000582352574 506194106 /nfs/dbraw/zinc/19/41/06/506194106.db2.gz MWYQBMDYCOCMSC-UTKZUKDTSA-N 2 0 354.542 3.469 20 0 FGADRP CCC(CC)(C[NH3+])C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000423896095 500416559 /nfs/dbraw/zinc/41/65/59/500416559.db2.gz GHHUUFUGLLYGIC-PMACEKPBSA-N 2 0 357.542 3.265 20 0 FGADRP C[NH+](C)[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1)c1ccc(F)cc1 ZINC000431731665 500416560 /nfs/dbraw/zinc/41/65/60/500416560.db2.gz JIYKHFXOKXJRLK-UXHICEINSA-N 2 0 361.505 3.342 20 0 FGADRP C[C@@H]1C[C@H](CCNC(=O)[C@H]2CCCC[C@@]2(C)[NH3+])C[N@@H+]1Cc1ccccc1 ZINC000423892533 500416719 /nfs/dbraw/zinc/41/67/19/500416719.db2.gz CBGFGNIWOPQCEJ-UGGKCQTMSA-N 2 0 357.542 3.311 20 0 FGADRP CC[C@]1(C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)CCC[NH2+]1 ZINC000423897078 500417342 /nfs/dbraw/zinc/41/73/42/500417342.db2.gz HCEDBTFJYJIMHT-JAXLGGSGSA-N 2 0 355.526 3.032 20 0 FGADRP C[C@]1(C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)CCCC[NH2+]1 ZINC000423911271 500418192 /nfs/dbraw/zinc/41/81/92/500418192.db2.gz VJSVMIJIACYPIQ-RZUBCFFCSA-N 2 0 355.526 3.032 20 0 FGADRP C[C@H](CNC(=O)C[C@H](c1ccccc1)[NH+](C)C)[N@@H+]1CCc2ccccc2C1 ZINC000431778005 500423503 /nfs/dbraw/zinc/42/35/03/500423503.db2.gz FXKIAJAOVLPSCG-XMSQKQJNSA-N 2 0 365.521 3.242 20 0 FGADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H]2CCCc3c4cc(C)ccc4[nH]c32)CC1 ZINC000582352575 506194644 /nfs/dbraw/zinc/19/46/44/506194644.db2.gz MWYQBMDYCOCMSC-UWJYYQICSA-N 2 0 354.542 3.469 20 0 FGADRP COC(=O)c1sc2ccccc2c1C[NH+]1CCC(OCCC[NH3+])CC1 ZINC000420290900 500435375 /nfs/dbraw/zinc/43/53/75/500435375.db2.gz MNZVPSYNZMMTKG-UHFFFAOYSA-N 2 0 362.495 3.018 20 0 FGADRP COc1ccc([C@H](C[NH3+])C[N@H+](CCO)[C@H]2CCCc3ccccc32)cc1 ZINC000420299922 500436609 /nfs/dbraw/zinc/43/66/09/500436609.db2.gz JRPUGBVJZBACER-KNQAVFIVSA-N 2 0 354.494 3.109 20 0 FGADRP COc1ccc([C@H](C[NH3+])C[N@H+](C)Cc2cc(OC)c(OC)cc2C)cc1 ZINC000420301792 500437541 /nfs/dbraw/zinc/43/75/41/500437541.db2.gz JEWYWUZMOHXZJQ-GOSISDBHSA-N 2 0 358.482 3.195 20 0 FGADRP COc1ccc([C@@H](C[NH3+])C[N@@H+]2CCC[C@@H](C(=O)Nc3ccccc3)C2)cc1 ZINC000420302898 500437644 /nfs/dbraw/zinc/43/76/44/500437644.db2.gz JYIICFWVYQBYNW-MOPGFXCFSA-N 2 0 367.493 3.088 20 0 FGADRP COC(=O)c1cccc(-c2nc(C[N@@H+]3CCC[C@@H](CC[NH3+])C3)cs2)c1 ZINC000420306508 500438017 /nfs/dbraw/zinc/43/80/17/500438017.db2.gz HRCRRNFSMQZTRI-AWEZNQCLSA-N 2 0 359.495 3.158 20 0 FGADRP COc1ccc([C@@H](C[NH3+])CN2CCC[C@@H](C[NH+]3CCCCCC3)C2)cc1 ZINC000420313132 500439350 /nfs/dbraw/zinc/43/93/50/500439350.db2.gz IPRDXXVCRLWOHQ-FPOVZHCZSA-N 2 0 359.558 3.326 20 0 FGADRP COc1ccc(-c2noc([C@H](C)[NH+]3CCC([C@@H]4CC[NH2+]C4)CC3)n2)cc1 ZINC000420318520 500440955 /nfs/dbraw/zinc/44/09/55/500440955.db2.gz QBKWZHJULPOASE-WMLDXEAASA-N 2 0 356.470 3.128 20 0 FGADRP COc1ccc([C@H](C[NH3+])CN2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)cc1 ZINC000420322897 500441869 /nfs/dbraw/zinc/44/18/69/500441869.db2.gz TUBNNWNSAATXKD-PZJWPPBQSA-N 2 0 359.558 3.181 20 0 FGADRP C[C@H](C(=O)Nc1cccc2ccccc21)[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420330692 500442514 /nfs/dbraw/zinc/44/25/14/500442514.db2.gz BEMFHGNDUXRMJF-NEWSRXKRSA-N 2 0 351.494 3.488 20 0 FGADRP Cc1cc(Br)ccc1NC(=O)C[N@H+](C)CC[C@H]1CCC[NH2+]C1 ZINC000420328449 500442713 /nfs/dbraw/zinc/44/27/13/500442713.db2.gz ZMNCNBKQZMHUAI-CQSZACIVSA-N 2 0 368.319 3.018 20 0 FGADRP C[C@@H](c1nc(Cc2ccc(Cl)cc2)no1)[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420341001 500444847 /nfs/dbraw/zinc/44/48/47/500444847.db2.gz POYXIWKNKBJUAG-CWRNSKLLSA-N 2 0 360.889 3.306 20 0 FGADRP CC(C)[NH+]1CCC(O)(C[NH2+][C@@H]2CCN(Cc3ccccc3)C3(CC3)C2)CC1 ZINC000573445552 506195855 /nfs/dbraw/zinc/19/58/55/506195855.db2.gz XFXFZDYZEZWANW-OAQYLSRUSA-N 3 0 371.569 3.009 20 0 FGADRP CC1(C)C[NH2+]CC[C@@H]1[NH2+]CCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000420359861 500447833 /nfs/dbraw/zinc/44/78/33/500447833.db2.gz KQERIMNSYAYHJT-FQEVSTJZSA-N 2 0 365.521 3.260 20 0 FGADRP COc1ccc([C@H](C[NH3+])C[N@H+](C)C2CCN(c3ccccc3)CC2)cc1 ZINC000420381535 500451817 /nfs/dbraw/zinc/45/18/17/500451817.db2.gz XPEUGZVLWDMZQK-LJQANCHMSA-N 2 0 353.510 3.338 20 0 FGADRP O=C(CC[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1)N[C@H]1CCCc2ccccc21 ZINC000420379920 500452061 /nfs/dbraw/zinc/45/20/61/500452061.db2.gz BOKVQWIGHCLFSO-SESVDKBCSA-N 2 0 355.526 3.034 20 0 FGADRP Cc1ccc(-c2cnc(C[NH+]3CCC([C@@H]4C[C@@H]([NH3+])CCO4)CC3)o2)cc1 ZINC000420389042 500453521 /nfs/dbraw/zinc/45/35/21/500453521.db2.gz LWFWNTRYXLIEHE-OALUTQOASA-N 2 0 355.482 3.368 20 0 FGADRP C[C@@H]1CCC[N@H+](Cc2ccccc2C[NH2+][C@@H]2CCN(C(C)(C)C)C2=O)C1 ZINC000424116564 500456582 /nfs/dbraw/zinc/45/65/82/500456582.db2.gz XMDCLCFYOFJSSM-YLJYHZDGSA-N 2 0 357.542 3.408 20 0 FGADRP C[C@@H]([NH2+]C[C@H](O)[C@@H]([NH3+])Cc1ccccc1)c1ccccc1C(F)(F)F ZINC000420417260 500457345 /nfs/dbraw/zinc/45/73/45/500457345.db2.gz WDXZMUXFFCZPAF-BVGQSLNGSA-N 2 0 352.400 3.287 20 0 FGADRP COc1ccc([C@H](C[NH3+])C[NH2+][C@@H](C)c2cccc(-n3cccn3)c2)cc1 ZINC000420421314 500458267 /nfs/dbraw/zinc/45/82/67/500458267.db2.gz YQPHKLVTTJYFEW-QFBILLFUSA-N 2 0 350.466 3.274 20 0 FGADRP CC(C)[N@H+](C)Cc1ccccc1C[NH2+]C[C@H](O)COc1ccccc1F ZINC000570564356 506196826 /nfs/dbraw/zinc/19/68/26/506196826.db2.gz NCUOWNUYEWYZCR-IBGZPJMESA-N 2 0 360.473 3.195 20 0 FGADRP CCN1CCO[C@@H](c2nc(-c3ccc(C[NH+]4CCC(C)CC4)cc3)no2)C1 ZINC000420481961 500462944 /nfs/dbraw/zinc/46/29/44/500462944.db2.gz PHUHUVFAAAYUQA-LJQANCHMSA-N 2 0 370.497 3.362 20 0 FGADRP C[C@H]1CC2(C[N@@H+]1Cc1nn(-c3ccc(F)cc3)c3c1CCC3)CC[NH2+]CC2 ZINC000424285988 500481178 /nfs/dbraw/zinc/48/11/78/500481178.db2.gz GPHOZNHVLJOXDE-INIZCTEOSA-N 2 0 368.500 3.464 20 0 FGADRP C[N@@H+]1CCN(CC[NH2+][C@H](Cc2ccncc2)c2cccs2)CC1(C)C ZINC000424357150 500490983 /nfs/dbraw/zinc/49/09/83/500490983.db2.gz WCMDHOMNDNBIQK-GOSISDBHSA-N 2 0 358.555 3.043 20 0 FGADRP Cc1cc(C[NH3+])cc(NC(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000424427265 500502108 /nfs/dbraw/zinc/50/21/08/500502108.db2.gz ODRDACABHYDYOI-SFHVURJKSA-N 2 0 352.482 3.097 20 0 FGADRP Cc1cc(C[NH3+])cc(NC(=O)N[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000424427511 500503232 /nfs/dbraw/zinc/50/32/32/500503232.db2.gz PRRUDEXAORDZES-JXFKEZNVSA-N 2 0 352.482 3.096 20 0 FGADRP C[C@@H]1CCC[C@H]([NH+]2CCC(NCCC[N@@H+]3CCCO[C@@H](C)C3)CC2)C1 ZINC000432416953 500513626 /nfs/dbraw/zinc/51/36/26/500513626.db2.gz JSCHGIHDGOUFJB-DYXWJJEUSA-N 2 0 351.579 3.120 20 0 FGADRP Cc1cc(CNC(=O)NCc2cc(C)nc(N3CCCC3)c2)cc(C)n1 ZINC000420846289 500514785 /nfs/dbraw/zinc/51/47/85/500514785.db2.gz QLUXGJKAQKKPED-UHFFFAOYSA-N 2 0 353.470 3.001 20 0 FGADRP CN(C[C@H]1CCC[N@@H+]1C)C(=O)N[C@H]1CC[NH+](Cc2ccccc2)CC1(C)C ZINC000420856051 500516271 /nfs/dbraw/zinc/51/62/71/500516271.db2.gz CHFAXSOYKVTFOL-UXHICEINSA-N 2 0 372.557 3.023 20 0 FGADRP C[NH+](C)C1CCC(NC(=O)N2CCC(CCC[NH+]3CCCC3)CC2)CC1 ZINC000420886185 500521990 /nfs/dbraw/zinc/52/19/90/500521990.db2.gz CDTLEZFVLHDNNJ-UHFFFAOYSA-N 2 0 364.578 3.157 20 0 FGADRP [NH3+][C@H]1CCCC[C@H]1CC(=O)Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1 ZINC000573482082 506201680 /nfs/dbraw/zinc/20/16/80/506201680.db2.gz FDTVDSXEMGPWIQ-RXVVDRJESA-N 2 0 370.541 3.065 20 0 FGADRP CC[NH+]1CCC(N2CCC[N@H+](CCSCc3ccccc3)CC2)CC1 ZINC000420984349 500547438 /nfs/dbraw/zinc/54/74/38/500547438.db2.gz SOHLBXJQRGGLBE-UHFFFAOYSA-N 2 0 361.599 3.412 20 0 FGADRP CC[NH+]1CCC(N2CCC[N@H+](CCOc3cccc(Cl)c3)CC2)CC1 ZINC000421018844 500555597 /nfs/dbraw/zinc/55/55/97/500555597.db2.gz XGLZBHDBUAAGPW-UHFFFAOYSA-N 2 0 365.949 3.211 20 0 FGADRP C[NH+]1CCN(c2cc(C[NH2+]Cc3ccc(C(F)(F)F)s3)ccn2)CC1 ZINC000428852710 500566317 /nfs/dbraw/zinc/56/63/17/500566317.db2.gz WQBYNMVXFONTCI-UHFFFAOYSA-N 2 0 370.444 3.204 20 0 FGADRP C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)NCC[NH+]1CCC2(CCCCC2)CC1 ZINC000442625768 500605635 /nfs/dbraw/zinc/60/56/35/500605635.db2.gz OXOCPLRBKYUSDW-OALUTQOASA-N 2 0 364.578 3.014 20 0 FGADRP CC[C@H]1CN(CC[NH2+]C2CCC([N@H+](C)Cc3ccccc3)CC2)CCO1 ZINC000576656172 506206206 /nfs/dbraw/zinc/20/62/06/506206206.db2.gz LURMSIAYQBJUGQ-HRTMPFAESA-N 2 0 359.558 3.130 20 0 FGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC2(CO)CC(c3ccccc3)C2)[C@H](C)C1 ZINC000433085255 500622861 /nfs/dbraw/zinc/62/28/61/500622861.db2.gz UDXSEEUTEPPFMZ-JYUKWDKTSA-N 2 0 374.569 3.269 20 0 FGADRP C[C@H](NC(=O)CCC[NH+]1CCC([NH3+])CC1)c1ccc(-c2ccncc2)cc1 ZINC000433112708 500628164 /nfs/dbraw/zinc/62/81/64/500628164.db2.gz AFSHPAZTSLAJBG-KRWDZBQOSA-N 2 0 366.509 3.129 20 0 FGADRP CCc1cc(Br)ccc1NC(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433119687 500630116 /nfs/dbraw/zinc/63/01/16/500630116.db2.gz HGNQMRBYZJJUFI-UHFFFAOYSA-N 2 0 368.319 3.153 20 0 FGADRP Cc1cccc(C2(CNC(=O)CCC[NH+]3CCC([NH3+])CC3)CCCC2)c1 ZINC000433135316 500633082 /nfs/dbraw/zinc/63/30/82/500633082.db2.gz JBLAAPDZHFEOJF-UHFFFAOYSA-N 2 0 357.542 3.126 20 0 FGADRP CC[C@@H](Cc1ccc(C)cc1)N(CC)C(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433160381 500636906 /nfs/dbraw/zinc/63/69/06/500636906.db2.gz HAZGYVOSEBTGMF-NRFANRHFSA-N 2 0 359.558 3.368 20 0 FGADRP COc1ccc2c(c1)[C@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)CCCS2 ZINC000442869577 500637218 /nfs/dbraw/zinc/63/72/18/500637218.db2.gz DSDUSVMUWLUQNM-GOSISDBHSA-N 2 0 363.571 3.238 20 0 FGADRP CC(C)c1ccc(NC(=O)C[C@@H](C)[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000442878612 500638717 /nfs/dbraw/zinc/63/87/17/500638717.db2.gz ZJJGRWAFISJUCL-GOSISDBHSA-N 2 0 374.573 3.143 20 0 FGADRP [NH3+]CC[C@@H]1CCC[N@H+](CC(=O)N[C@H](Cc2ccccc2)c2ccccc2)C1 ZINC000443064950 500672774 /nfs/dbraw/zinc/67/27/74/500672774.db2.gz ZCJTZXWZRQBSIT-RBBKRZOGSA-N 2 0 365.521 3.147 20 0 FGADRP CC(C)N1CCC[C@@H]([N@H+](Cc2ccsc2)[C@H]2CC23CC[NH2+]CC3)C1=O ZINC000447947776 500694322 /nfs/dbraw/zinc/69/43/22/500694322.db2.gz IBZMJFXGTJLDCQ-MSOLQXFVSA-N 2 0 361.555 3.092 20 0 FGADRP COc1cc(-c2noc(C[NH+]3[C@H](C)CC[C@H]3C)n2)ccc1OCC[NH+](C)C ZINC000443190367 500694560 /nfs/dbraw/zinc/69/45/60/500694560.db2.gz BHLCHMKGTIZGMW-HUUCEWRRSA-N 2 0 374.485 3.058 20 0 FGADRP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)C1 ZINC000433567996 500713795 /nfs/dbraw/zinc/71/37/95/500713795.db2.gz KBKBNRZABGUDDW-GGPKGHCWSA-N 2 0 364.578 3.061 20 0 FGADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H](O)Cc2ccccc2C(F)(F)F)C[C@H]1C ZINC000443409903 500720963 /nfs/dbraw/zinc/72/09/63/500720963.db2.gz YHLQNLDTPJHPNR-HYVNUMGLSA-N 2 0 358.448 3.413 20 0 FGADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H](O)Cc2ccccc2C(F)(F)F)[C@H](C)C1 ZINC000443574984 500740586 /nfs/dbraw/zinc/74/05/86/500740586.db2.gz GCHGMHCHOGGWFQ-KYJSFNMBSA-N 2 0 358.448 3.271 20 0 FGADRP Cc1ccccc1CCNC(=O)C[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000443598797 500744167 /nfs/dbraw/zinc/74/41/67/500744167.db2.gz FRQCUQSJPROMSV-UHFFFAOYSA-N 2 0 371.569 3.242 20 0 FGADRP Cc1ccc(Cl)c(OC[C@H](O)C[NH2+]C[C@@H]2CCC[N@@H+](C(C)C)C2)c1 ZINC000570710422 506214856 /nfs/dbraw/zinc/21/48/56/506214856.db2.gz ZTLIRGDSUWHROT-DLBZAZTESA-N 2 0 354.922 3.098 20 0 FGADRP CCO[C@@H]1C[C@](CO)([NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3C)CC2)C1(C)C ZINC000438330767 500770613 /nfs/dbraw/zinc/77/06/13/500770613.db2.gz VTRSGCNLFBPGSW-XLBJILASSA-N 2 0 352.563 3.185 20 0 FGADRP C[C@H]([NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1)[C@@H]1C[C@H]1c1ccccc1 ZINC000570742365 506216228 /nfs/dbraw/zinc/21/62/28/506216228.db2.gz GGANWMZBYBQDKH-HSQYWUDLSA-N 2 0 365.521 3.260 20 0 FGADRP CC[C@H]1CC[N@H+](CC(=O)NC[C@@H](c2ccc(OC)cc2)[NH+]2CCCCC2)C1 ZINC000438509317 500794806 /nfs/dbraw/zinc/79/48/06/500794806.db2.gz OLAISKDSGYRVLI-RXVVDRJESA-N 2 0 373.541 3.070 20 0 FGADRP CC1CC[NH+](C[C@H]2CCCN(C(=O)[C@H]3CCC[N@@H+]3C3CCCC3)C2)CC1 ZINC000438565374 500802409 /nfs/dbraw/zinc/80/24/09/500802409.db2.gz CFEFOFZGMXESHV-TZIWHRDSSA-N 2 0 361.574 3.364 20 0 FGADRP C[NH+](C)[C@@H](CNC(=O)C[N@@H+](C)CC1(c2ccccc2)CC1)c1ccccc1 ZINC000444678704 500877733 /nfs/dbraw/zinc/87/77/33/500877733.db2.gz YCYKHYPROGZZCL-NRFANRHFSA-N 2 0 365.521 3.069 20 0 FGADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)Cc1cc2ccccc2s1 ZINC000448970313 500883878 /nfs/dbraw/zinc/88/38/78/500883878.db2.gz LHCQLBAQQQVSKM-UHFFFAOYSA-N 2 0 361.555 3.176 20 0 FGADRP CC[NH+](CC)CC1CC[NH+](Cc2cnn(-c3ccc(OC)cc3)c2)CC1 ZINC000449010703 500896043 /nfs/dbraw/zinc/89/60/43/500896043.db2.gz MUDHYRLRAAWVIL-UHFFFAOYSA-N 2 0 356.514 3.435 20 0 FGADRP CSc1ccc([C@@H](C)[NH2+]CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)cc1 ZINC000439467959 500900880 /nfs/dbraw/zinc/90/08/80/500900880.db2.gz JRFMHUDJVKNKQQ-OXQOHEQNSA-N 2 0 371.550 3.478 20 0 FGADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2cn(C)nc2-c2ccc(F)cc2)C1 ZINC000449037460 500907262 /nfs/dbraw/zinc/90/72/62/500907262.db2.gz NIDUIXBYPRHZTG-FQEVSTJZSA-N 2 0 374.504 3.159 20 0 FGADRP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]CCC(=O)N2CCCCC2)CC1 ZINC000449089872 500922095 /nfs/dbraw/zinc/92/20/95/500922095.db2.gz LNIFKMMPGIRPFT-IBGZPJMESA-N 2 0 357.542 3.074 20 0 FGADRP C[C@@H]1C[NH+](CCCC[NH2+]Cc2ccc3c(c2)OCCCCO3)C[C@@H](C)O1 ZINC000449100153 500925193 /nfs/dbraw/zinc/92/51/93/500925193.db2.gz AWEZGGHHQXGYQZ-QZTJIDSGSA-N 2 0 362.514 3.217 20 0 FGADRP COc1cccc2c(C[NH2+]C3CCN(C4CC[NH+](C)CC4)CC3)cccc12 ZINC000449106979 500926592 /nfs/dbraw/zinc/92/65/92/500926592.db2.gz KJXHRETWUYBEAD-UHFFFAOYSA-N 2 0 367.537 3.497 20 0 FGADRP C[C@@H](C[NH2+]CCCCC[NH+]1CCCCC1)c1ccc(S(C)(=O)=O)cc1 ZINC000449125063 500930757 /nfs/dbraw/zinc/93/07/57/500930757.db2.gz RPJXIQBGGLWVMT-SFHVURJKSA-N 2 0 366.571 3.439 20 0 FGADRP CC[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1)C1CCCC1 ZINC000449145482 500934699 /nfs/dbraw/zinc/93/46/99/500934699.db2.gz LKQHEMSJLBPTMY-LEWJYISDSA-N 2 0 357.542 3.442 20 0 FGADRP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]CCCOC[C@H]2CCOC2)CC1 ZINC000449162894 500938217 /nfs/dbraw/zinc/93/82/17/500938217.db2.gz KKQHKBXPMFQHKM-PZJWPPBQSA-N 2 0 360.542 3.115 20 0 FGADRP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@H](CO)Cc2ccc(F)cc2)CC1 ZINC000449204776 500947565 /nfs/dbraw/zinc/94/75/65/500947565.db2.gz JNNJRZWYZCSLLW-MBSDFSHPSA-N 2 0 370.512 3.414 20 0 FGADRP CC[NH+]1CCN(CCC[NH2+]Cc2cnc(CCc3ccccc3)s2)CC1 ZINC000449218314 500950789 /nfs/dbraw/zinc/95/07/89/500950789.db2.gz HEOGDZDXHOPNJT-UHFFFAOYSA-N 2 0 372.582 3.046 20 0 FGADRP C[NH2+]CC1CC[NH+](Cc2cc(Cl)ccc2OC[C@H]2CCCO2)CC1 ZINC000435367841 500960888 /nfs/dbraw/zinc/96/08/88/500960888.db2.gz AYBIFTLQVUBLHK-GOSISDBHSA-N 2 0 352.906 3.329 20 0 FGADRP [NH3+]C[C@H]1CC[N@H+](Cc2cn(Cc3ccccc3)nc2-c2cccs2)C1 ZINC000435378153 500962845 /nfs/dbraw/zinc/96/28/45/500962845.db2.gz CGXAPTHRZCHNLM-QGZVFWFLSA-N 2 0 352.507 3.441 20 0 FGADRP Cc1cccn2cc(COc3ccc(C[N@@H+]4CC[C@@H]([NH3+])[C@H](C)C4)cc3)nc12 ZINC000435376681 500963297 /nfs/dbraw/zinc/96/32/97/500963297.db2.gz SYNKWYHXXOCMAK-DYESRHJHSA-N 2 0 364.493 3.391 20 0 FGADRP COc1ccc(OCc2ccccn2)c(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c1 ZINC000435378887 500963583 /nfs/dbraw/zinc/96/35/83/500963583.db2.gz ABWOKUYHDWZEEY-ZLGUVYLKSA-N 2 0 367.493 3.228 20 0 FGADRP Cc1nn(Cc2ccccc2Cl)c(C)c1C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000435387031 500966113 /nfs/dbraw/zinc/96/61/13/500966113.db2.gz WKCDPZPPVMIYGQ-ZAAXVRCTSA-N 2 0 358.917 3.371 20 0 FGADRP CC(C)(C)CC(C)(C)[NH+]1CCC(N[C@@H]2CCC[N@H+](CCCO)C2)CC1 ZINC000449398579 500994306 /nfs/dbraw/zinc/99/43/06/500994306.db2.gz VQGGKWHBGMQKBL-LJQANCHMSA-N 2 0 353.595 3.102 20 0 FGADRP CCc1ccc(CC[N@H+](Cc2nccn2C)[C@H]2CC23CC[NH2+]CC3)cc1 ZINC000435695363 501013192 /nfs/dbraw/zinc/01/31/92/501013192.db2.gz NDYFHUOOIHWYRA-FQEVSTJZSA-N 2 0 352.526 3.169 20 0 FGADRP CCCOc1c(OC)cc(CC[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1OC ZINC000449486447 501014796 /nfs/dbraw/zinc/01/47/96/501014796.db2.gz SHXLWVOEAPUOTO-ROUUACIJSA-N 2 0 362.514 3.252 20 0 FGADRP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCc3nc(-c4ccc(F)cc4F)cn3C2)[C@@H](C)C1 ZINC000449547586 501029789 /nfs/dbraw/zinc/02/97/89/501029789.db2.gz IXBKFLRCUNGAEW-GMBSWORKSA-N 2 0 374.479 3.463 20 0 FGADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+][C@@H]3CCO[C@@H](c4ccnn4C)C3)CC2)C1 ZINC000449592576 501039780 /nfs/dbraw/zinc/03/97/80/501039780.db2.gz ODHNAWRGWYUXGR-RDPOXOKHSA-N 2 0 360.546 3.273 20 0 FGADRP C[C@H](C(=O)N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000440925314 501064158 /nfs/dbraw/zinc/06/41/58/501064158.db2.gz WXFFTUOFTCRQSG-UEXGIBASSA-N 2 0 369.553 3.071 20 0 FGADRP C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)N[C@@H]2CC[NH2+]C2(C)C)c1 ZINC000449748918 501074758 /nfs/dbraw/zinc/07/47/58/501074758.db2.gz DBXHJXBGSRBQIE-HXUWFJFHSA-N 2 0 351.494 3.189 20 0 FGADRP C[NH+](C)CCOc1ccc(C[NH2+]Cc2c[nH]nc2-c2ccsc2)cc1 ZINC000436273712 501099703 /nfs/dbraw/zinc/09/97/03/501099703.db2.gz JXLFJWJDBQIJOU-UHFFFAOYSA-N 2 0 356.495 3.368 20 0 FGADRP COc1ccc(C[NH2+]CCCC[NH+]2CCN(c3cccc(C)c3)CC2)cn1 ZINC000436289251 501102283 /nfs/dbraw/zinc/10/22/83/501102283.db2.gz MJWFMOMCXHQVGZ-UHFFFAOYSA-N 2 0 368.525 3.091 20 0 FGADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)C1 ZINC000436304170 501104900 /nfs/dbraw/zinc/10/49/00/501104900.db2.gz CZHTVIMZROYFNT-YMQHIKHWSA-N 2 0 356.510 3.218 20 0 FGADRP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH+]2CCC[C@@H]3CCC[C@@H]32)CC1 ZINC000441449260 501141607 /nfs/dbraw/zinc/14/16/07/501141607.db2.gz IWGZCGFEKLMUAL-UNMCSNQZSA-N 2 0 369.553 3.294 20 0 FGADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@@H]2CCCN(c3ccnn3C)C2)CC1 ZINC000447066101 501199755 /nfs/dbraw/zinc/19/97/55/501199755.db2.gz JLWBWWVREFGAIW-RLLQIKCJSA-N 2 0 359.562 3.022 20 0 FGADRP FC1(F)CC[C@H](C[NH+]2CCN([C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)C1 ZINC000450980827 501236655 /nfs/dbraw/zinc/23/66/55/501236655.db2.gz GSTODIWLSJWQMV-PMACEKPBSA-N 2 0 363.496 3.314 20 0 FGADRP CC[N@H+](CCNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1)CCC(F)(F)F ZINC000451170339 501249729 /nfs/dbraw/zinc/24/97/29/501249729.db2.gz DDHAOGJAMYSZKJ-INIZCTEOSA-N 2 0 363.468 3.174 20 0 FGADRP c1[nH]nc2c1CC[C@@H]([NH2+][C@H]1CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]31)C2 ZINC000453125833 501273817 /nfs/dbraw/zinc/27/38/17/501273817.db2.gz ATDIQHFTPADGAR-XWSHUIEDSA-N 2 0 350.510 3.300 20 0 FGADRP C[C@@H]([NH2+]CCCOC1CC[NH+](Cc2ccccc2)CC1)c1ccncn1 ZINC000453138411 501277123 /nfs/dbraw/zinc/27/71/23/501277123.db2.gz RANNDVXQTBAGJV-GOSISDBHSA-N 2 0 354.498 3.199 20 0 FGADRP CC[NH+](CC)Cc1cccc(CNC(=O)N2CC[C@]3(C2)CCC[N@H+](C)C3)c1 ZINC000457678956 501285216 /nfs/dbraw/zinc/28/52/16/501285216.db2.gz USCNSALWVVCEEF-JOCHJYFZSA-N 2 0 372.557 3.156 20 0 FGADRP C[C@H](CCCc1cccnc1)[NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000453196997 501289010 /nfs/dbraw/zinc/28/90/10/501289010.db2.gz MPKROEZHZMFDEU-GCJKJVERSA-N 2 0 353.510 3.149 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H](O)Cc1cccc(F)c1 ZINC000453230452 501295086 /nfs/dbraw/zinc/29/50/86/501295086.db2.gz DZDGYIINSIXMAG-WTNAPCKOSA-N 2 0 356.485 3.229 20 0 FGADRP OCCCN1CCC[C@@H]([NH2+][C@@H](c2cccc(OC(F)(F)F)c2)C2CC2)C1 ZINC000453282313 501307510 /nfs/dbraw/zinc/30/75/10/501307510.db2.gz DRUPFDGCTYXVKW-SJLPKXTDSA-N 2 0 372.431 3.473 20 0 FGADRP Cc1ccc([C@H](CNC(=O)N(C)[C@@H]2CC[N@@H+](C(C)C)C2)[NH+]2CCCC2)cc1 ZINC000458134069 501377447 /nfs/dbraw/zinc/37/74/47/501377447.db2.gz HSSYSTILSKRQMI-RTWAWAEBSA-N 2 0 372.557 3.256 20 0 FGADRP CCC(CC)(CNC(=O)NCCc1cn(C)cn1)[NH2+][C@H](C)c1ccccc1 ZINC000458360929 501426721 /nfs/dbraw/zinc/42/67/21/501426721.db2.gz AIBVDCSAGMVZHG-QGZVFWFLSA-N 2 0 371.529 3.171 20 0 FGADRP Cc1ccccc1[C@@H]([C@H](C)NC(=O)NC1CC[NH+](C2CCC2)CC1)[NH+](C)C ZINC000458788367 501531669 /nfs/dbraw/zinc/53/16/69/501531669.db2.gz XYQBGUSALKYHCA-LAUBAEHRSA-N 2 0 372.557 3.302 20 0 FGADRP CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000458926184 501560318 /nfs/dbraw/zinc/56/03/18/501560318.db2.gz CKJGYRXBZASBFZ-FQEVSTJZSA-N 2 0 364.578 3.014 20 0 FGADRP C[NH+](C)C[C@H]1CCN(Cc2cn(C3CCCC3)nc2-c2ccccn2)C1 ZINC000459349930 501636695 /nfs/dbraw/zinc/63/66/95/501636695.db2.gz NXRAIBBYLKNQDU-QGZVFWFLSA-N 2 0 353.514 3.444 20 0 FGADRP C[C@@H]1CN(c2ccccc2C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)CCO1 ZINC000459363556 501639948 /nfs/dbraw/zinc/63/99/48/501639948.db2.gz RJDYXVXNOPAGEW-RFWXGWTQSA-N 2 0 369.553 3.360 20 0 FGADRP COc1cccc(N2CCC[C@@H]([NH2+]C3CCN(c4cc[nH+]cc4)CC3)C2)c1 ZINC000459405989 501647961 /nfs/dbraw/zinc/64/79/61/501647961.db2.gz GAGZDUNJWCIAPO-LJQANCHMSA-N 2 0 366.509 3.318 20 0 FGADRP COC1CCN(C2(C[NH2+]C3CCN(c4cc[nH+]cc4)CC3)CCCC2)CC1 ZINC000459443960 501655153 /nfs/dbraw/zinc/65/51/53/501655153.db2.gz LHWVBHWRFJGARK-UHFFFAOYSA-N 2 0 372.557 3.064 20 0 FGADRP CC(C)[NH+]1CCN(CCC[NH2+][C@H](c2ccccc2)C2(CO)CCCC2)CC1 ZINC000459532938 501671282 /nfs/dbraw/zinc/67/12/82/501671282.db2.gz DUELOCBJPSJZFR-JOCHJYFZSA-N 2 0 373.585 3.286 20 0 FGADRP C[C@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)C(=O)N1c2ccccc2C[C@@H]1C ZINC000459566617 501678093 /nfs/dbraw/zinc/67/80/93/501678093.db2.gz HOLRQDHNZHRLRA-IRXDYDNUSA-N 2 0 364.493 3.006 20 0 FGADRP C(CC[NH+]1CC2(CCC2)[C@@H]2COC[C@@H]21)CC[N@@H+]1CC2(CCC2)[C@@H]2COC[C@@H]21 ZINC000459686183 501699066 /nfs/dbraw/zinc/69/90/66/501699066.db2.gz VKZDBIQCMMHEHV-CGXNFDGLSA-N 2 0 374.569 3.159 20 0 FGADRP COc1ccc(C[NH2+]CC[C@@H]2CCC[N@H+](C)C2)c(OCc2cccnc2)c1 ZINC000459727081 501704940 /nfs/dbraw/zinc/70/49/40/501704940.db2.gz CEKGIVZFCPWLDN-SFHVURJKSA-N 2 0 369.509 3.491 20 0 FGADRP COC(=O)c1cc2c(o1)c(OC)ccc2C[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000459728565 501705367 /nfs/dbraw/zinc/70/53/67/501705367.db2.gz IIKYPGKLMDYWIE-AWEZNQCLSA-N 2 0 360.454 3.050 20 0 FGADRP CCC[NH+]1CCN(c2ccccc2C[NH2+]CC[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000459736663 501706101 /nfs/dbraw/zinc/70/61/01/501706101.db2.gz QIANSJNTBMLJFB-FQEVSTJZSA-N 3 0 358.574 3.040 20 0 FGADRP CC[NH+](CC)Cc1ccccc1CNC(=O)NC(C)(C)C[NH+]1CCCC1 ZINC000457531712 501717502 /nfs/dbraw/zinc/71/75/02/501717502.db2.gz PPEVKDZXEXEWMU-UHFFFAOYSA-N 2 0 360.546 3.202 20 0 FGADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)NC2CC([NH+]3CCCCC3)C2)C1 ZINC000474173301 501729675 /nfs/dbraw/zinc/72/96/75/501729675.db2.gz GAQPSSNATFZPNY-FNOBOGDDSA-N 2 0 370.541 3.138 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccc(Cl)cc1C ZINC000481292385 501735404 /nfs/dbraw/zinc/73/54/04/501735404.db2.gz MYENAVHKMQAQQG-KRWDZBQOSA-N 2 0 351.922 3.137 20 0 FGADRP CCC(C)(C)[NH2+][C@H](C)C(=O)Nc1cccc(N2CC[NH+](C(C)C)CC2)c1 ZINC000477609634 501737481 /nfs/dbraw/zinc/73/74/81/501737481.db2.gz WKAPXJWGDYQRON-QGZVFWFLSA-N 2 0 360.546 3.322 20 0 FGADRP CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@H](C[NH+]1CCCC1)c1ccc(OC)cc1 ZINC000477618928 501739101 /nfs/dbraw/zinc/73/91/01/501739101.db2.gz AZSKTZNAKUDWIY-VQIMIIECSA-N 2 0 361.530 3.115 20 0 FGADRP CC[NH+](CC)Cc1cccc(NC(=O)c2ccc3c(c2)CC[NH2+]CC3)c1 ZINC000474297653 501781042 /nfs/dbraw/zinc/78/10/42/501781042.db2.gz DWPPRXIZBIIQDU-UHFFFAOYSA-N 2 0 351.494 3.469 20 0 FGADRP CN(C(=O)Nc1cccc(C[NH+](C)C)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000474337646 501796398 /nfs/dbraw/zinc/79/63/98/501796398.db2.gz OTYGDPNRXBHJJP-NRFANRHFSA-N 2 0 366.509 3.486 20 0 FGADRP C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)C[C@H]1C ZINC000463736423 501806246 /nfs/dbraw/zinc/80/62/46/501806246.db2.gz OQUBGGOTEIZTNO-DBXWQHBBSA-N 2 0 357.542 3.427 20 0 FGADRP CCN1C[C@@H](C)[C@@H]([NH2+]Cc2cccc(-c3nc(C(=O)OC)cs3)c2)C1 ZINC000477849878 501807503 /nfs/dbraw/zinc/80/75/03/501807503.db2.gz BNDZGRRHUXGWRL-CJNGLKHVSA-N 2 0 359.495 3.027 20 0 FGADRP CC[C@@H](C)[NH2+][C@@H](CNC(=O)NC1CC[NH+](CC(C)C)CC1)c1ccco1 ZINC000477884689 501819697 /nfs/dbraw/zinc/81/96/97/501819697.db2.gz WZZNROWQWKNNRM-AEFFLSMTSA-N 2 0 364.534 3.128 20 0 FGADRP CC(C)(C)OC[C@@H](O)C[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000485472902 501831296 /nfs/dbraw/zinc/83/12/96/501831296.db2.gz DELBMRWAMHTONR-FQEVSTJZSA-N 2 0 360.542 3.151 20 0 FGADRP CC[C@@H](C)NC(=O)[C@@H](C)[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000485479901 501833119 /nfs/dbraw/zinc/83/31/19/501833119.db2.gz WZZYCIHVWHPIKD-RTBURBONSA-N 2 0 357.542 3.278 20 0 FGADRP C[NH+](C)CC[C@H](NC(=O)N1CC[NH+](C2CCCCC2)CC1)C(C)(C)C ZINC000485484020 501834268 /nfs/dbraw/zinc/83/42/68/501834268.db2.gz ZJLTVSFPNAHASK-SFHVURJKSA-N 2 0 352.567 3.013 20 0 FGADRP C[NH+](C)CC1(C(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)CCCCC1 ZINC000460511042 501844642 /nfs/dbraw/zinc/84/46/42/501844642.db2.gz SYHYWGYIGZULHY-HXUWFJFHSA-N 2 0 357.542 3.452 20 0 FGADRP C[C@@H]1C[NH+](CCCCC[N@H+]2C[C@H](C)O[C@@H](C3CC3)C2)C[C@H](C2CC2)O1 ZINC000470921800 501855628 /nfs/dbraw/zinc/85/56/28/501855628.db2.gz CRZRDYQMRZAGSM-HRQSHJORSA-N 2 0 350.547 3.155 20 0 FGADRP CC[NH+]1CCN(CCCC[NH2+][C@@H](C)c2nc(C(F)(F)F)cs2)CC1 ZINC000467749569 501859756 /nfs/dbraw/zinc/85/97/56/501859756.db2.gz OZLPRFPPVXEVRS-ZDUSSCGKSA-N 2 0 364.481 3.230 20 0 FGADRP CC(C)[C@@H]1CCC[C@H]([NH2+]CC2CC[NH+](CC(=O)NC(C)(C)C)CC2)C1 ZINC000474807677 501959097 /nfs/dbraw/zinc/95/90/97/501959097.db2.gz JILXFHSCUYSYOQ-MOPGFXCFSA-N 2 0 351.579 3.418 20 0 FGADRP CC[C@H]([NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1)c1ccc(OC)cc1 ZINC000482113468 501978582 /nfs/dbraw/zinc/97/85/82/501978582.db2.gz JEERMVYCROUYMY-QFIPXVFZSA-N 2 0 368.525 3.343 20 0 FGADRP c1ccc2c(c1)OCCC[C@H]2[NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000482117914 501980043 /nfs/dbraw/zinc/98/00/43/501980043.db2.gz CVSBOVRHDATCDJ-OAQYLSRUSA-N 2 0 366.509 3.097 20 0 FGADRP CN1CCC([NH+]2CCC(CC[N@H+](C)C[C@H](O)C3CCCCC3)CC2)CC1 ZINC000475041549 502032181 /nfs/dbraw/zinc/03/21/81/502032181.db2.gz YVHHUIJHEFZZML-QFIPXVFZSA-N 2 0 365.606 3.056 20 0 FGADRP CCCC[NH+]1CCC(NC(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000475097820 502057654 /nfs/dbraw/zinc/05/76/54/502057654.db2.gz QYHPKFPBBMUYHE-NRFANRHFSA-N 2 0 372.557 3.167 20 0 FGADRP C[C@H](C[NH2+][C@H](C)c1ccc(-c2ccncc2)cc1)CN1CC[NH+](C)CC1 ZINC000482451267 502072242 /nfs/dbraw/zinc/07/22/42/502072242.db2.gz RTZVTQAVNBTCBU-RTBURBONSA-N 2 0 352.526 3.283 20 0 FGADRP C[C@H](C[NH2+][C@@H](C)c1ccc(-c2ccncc2)cc1)CN1CC[NH+](C)CC1 ZINC000482451264 502072290 /nfs/dbraw/zinc/07/22/90/502072290.db2.gz RTZVTQAVNBTCBU-MOPGFXCFSA-N 2 0 352.526 3.283 20 0 FGADRP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH2+][C@@H]2CCCC[C@H]2C)CC1 ZINC000475151853 502082549 /nfs/dbraw/zinc/08/25/49/502082549.db2.gz SGCZSMAMLYMHPR-TZIWHRDSSA-N 2 0 357.542 3.198 20 0 FGADRP CC[C@@]1(C)CCC[N@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000464781466 502093465 /nfs/dbraw/zinc/09/34/65/502093465.db2.gz VKRZGFURSCTXBS-QFIPXVFZSA-N 2 0 357.542 3.411 20 0 FGADRP CC(C)[C@@H](C(=O)NC[C@H](c1cccs1)[NH+]1CCC(C)CC1)[NH+](C)C ZINC000464787754 502094971 /nfs/dbraw/zinc/09/49/71/502094971.db2.gz FFYVUBRHGKCNAE-AEFFLSMTSA-N 2 0 351.560 3.224 20 0 FGADRP CC(C)c1ccc(NC(=O)C[C@H](C)[NH2+]CCCN2CCC[N@H+](C)CC2)cc1 ZINC000482548077 502107872 /nfs/dbraw/zinc/10/78/72/502107872.db2.gz MAGKVGUVXHFZCR-IBGZPJMESA-N 2 0 374.573 3.144 20 0 FGADRP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000461729931 502182225 /nfs/dbraw/zinc/18/22/25/502182225.db2.gz QKIYNSQDTQDIJH-CTNGQTDRSA-N 2 0 372.557 3.167 20 0 FGADRP CC[NH+](CC)Cc1ccc(CNC(=O)[C@@H](C[NH3+])c2ccc(F)cc2)cc1 ZINC000479217271 502194919 /nfs/dbraw/zinc/19/49/19/502194919.db2.gz ABDYKOAFHRDVIP-FQEVSTJZSA-N 2 0 357.473 3.026 20 0 FGADRP CCn1nc(C[NH2+]CCc2ccc(OCC[NH+](C)C)cc2)c2ccccc21 ZINC000472071266 502220046 /nfs/dbraw/zinc/22/00/46/502220046.db2.gz BAKKDLNBOHUTGJ-UHFFFAOYSA-N 2 0 366.509 3.329 20 0 FGADRP CC(C)(CNC(=O)[C@H]1CCCN1Cc1ccc(F)cc1)C[NH+]1CCCC1 ZINC000482937009 502221283 /nfs/dbraw/zinc/22/12/83/502221283.db2.gz MRNZLJUXDXYPRX-LJQANCHMSA-N 2 0 361.505 3.028 20 0 FGADRP CC[NH2+][C@H](C)CNC(=O)[C@@H](c1cccc(C(F)(F)F)c1)[NH+](CC)CC ZINC000479333587 502226772 /nfs/dbraw/zinc/22/67/72/502226772.db2.gz GKGYDBQVQOSJKE-CZUORRHYSA-N 2 0 359.436 3.203 20 0 FGADRP C[C@H]1CCN(C(=O)NCC2([NH+](C)C)CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000465395781 502249157 /nfs/dbraw/zinc/24/91/57/502249157.db2.gz AHZYLBPPUXBDSD-IBGZPJMESA-N 2 0 372.557 3.167 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N1CC[C@@H]([NH+](CC)CC)C1)c1ccccc1 ZINC000465419385 502256090 /nfs/dbraw/zinc/25/60/90/502256090.db2.gz AVRZETKTGKNSGD-WOJBJXKFSA-N 2 0 360.546 3.195 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)N1CC[C@@H]([NH+](CC)CC)C1)c1ccccc1 ZINC000465419383 502256104 /nfs/dbraw/zinc/25/61/04/502256104.db2.gz AVRZETKTGKNSGD-UXHICEINSA-N 2 0 360.546 3.195 20 0 FGADRP CCCCNC(=O)CC[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000475730878 502268573 /nfs/dbraw/zinc/26/85/73/502268573.db2.gz SNVQTGIRMWRQCV-QFIPXVFZSA-N 2 0 357.542 3.281 20 0 FGADRP C[N@H+](CC1CC1)C[C@H]1CCN([C@@H]2CCN(c3ccc(Cl)cc3)C2=O)C1 ZINC000472230596 502278533 /nfs/dbraw/zinc/27/85/33/502278533.db2.gz GQSBFJVLEIDADJ-VQIMIIECSA-N 2 0 361.917 3.109 20 0 FGADRP CC[N@@H+](CC(=O)N1CCC[NH+](Cc2ccccc2C)CC1)CC1CCC1 ZINC000483123588 502281320 /nfs/dbraw/zinc/28/13/20/502281320.db2.gz SMPFYIZEBWLFSI-UHFFFAOYSA-N 2 0 357.542 3.151 20 0 FGADRP C[C@@H]1C[C@H](NC(=O)NCc2ccccc2C[N@H+]2CCCC[C@H]2C)CC[NH+]1C ZINC000465559807 502308023 /nfs/dbraw/zinc/30/80/23/502308023.db2.gz BNEDNFIJULNIOI-DBXWQHBBSA-N 2 0 372.557 3.343 20 0 FGADRP CCC(CC)[C@H](CNC(=O)N1CC[C@H]([NH+](CC)CC)C1)[NH+]1CCCC1 ZINC000465568397 502310253 /nfs/dbraw/zinc/31/02/53/502310253.db2.gz DHBBATXUUCJDMG-OALUTQOASA-N 2 0 352.567 3.013 20 0 FGADRP C[NH+]1CCC(O)(C[NH2+][C@@H](CCc2ccccc2)Cc2ccccc2)CC1 ZINC000462122285 502313743 /nfs/dbraw/zinc/31/37/43/502313743.db2.gz SEIDLOMIYGCYIU-QFIPXVFZSA-N 2 0 352.522 3.277 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N[C@H]1CC[NH+](CC2CCCC2)C1 ZINC000465608036 502324385 /nfs/dbraw/zinc/32/43/85/502324385.db2.gz UCPZVZBCQWIVLZ-QUCCMNQESA-N 2 0 364.578 3.205 20 0 FGADRP O=C(N[C@@H]1CCC[N@H+](CCC2CC[NH2+]CC2)C1)c1cc2ccccc2o1 ZINC000479682009 502342885 /nfs/dbraw/zinc/34/28/85/502342885.db2.gz DMOPVWSNBKYCDF-GOSISDBHSA-N 2 0 355.482 3.017 20 0 FGADRP CC1=C(C)C[N@H+]([C@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000483348760 502358662 /nfs/dbraw/zinc/35/86/62/502358662.db2.gz NAOQZEQFRCZPFZ-LJQANCHMSA-N 2 0 355.526 3.198 20 0 FGADRP CCN(C(=O)NC[C@@H](C)[NH+](CC)CC)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000472475100 502363396 /nfs/dbraw/zinc/36/33/96/502363396.db2.gz FGHNYIDQGQJVEJ-QUCCMNQESA-N 2 0 360.546 3.023 20 0 FGADRP CC[N@H+](CCNC(=O)N1CC[C@H](C)[NH+](Cc2ccccc2)CC1)C(C)C ZINC000465828447 502396911 /nfs/dbraw/zinc/39/69/11/502396911.db2.gz BBPVGRWLYZPJIB-IBGZPJMESA-N 2 0 360.546 3.023 20 0 FGADRP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)NC[C@H]1CCC[NH+]1Cc1ccccc1 ZINC000465939351 502433844 /nfs/dbraw/zinc/43/38/44/502433844.db2.gz SHPGQCKBSMGORV-LEWJYISDSA-N 2 0 372.557 3.167 20 0 FGADRP CC[C@@H]1CCC[C@H](NC(=O)N(CC[NH+](C)C)C[C@@H]2CCC[N@@H+]2CC)C1 ZINC000465991239 502448532 /nfs/dbraw/zinc/44/85/32/502448532.db2.gz ZJJFNKAYPFOUPZ-QYZOEREBSA-N 2 0 352.567 3.013 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CCC[NH+](Cc3ccccc3)C2)C[C@H]1C ZINC000483676224 502460061 /nfs/dbraw/zinc/46/00/61/502460061.db2.gz BNLVNUFJYKSDDG-NRSPTQNISA-N 2 0 372.557 3.165 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NCCC[NH+](C)C2CCCCC2)C[C@@H]1C ZINC000483700255 502468015 /nfs/dbraw/zinc/46/80/15/502468015.db2.gz JZNDNSFNMDABHP-HKUYNNGSSA-N 2 0 352.567 3.155 20 0 FGADRP C[C@@H](CCCC(F)(F)F)[NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000480151415 502484403 /nfs/dbraw/zinc/48/44/03/502484403.db2.gz UKQHUHLLWBSXRA-AWEZNQCLSA-N 2 0 365.484 3.324 20 0 FGADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)NCCCCC[NH+]2CCCCC2)C[C@@H]1C ZINC000483822122 502501457 /nfs/dbraw/zinc/50/14/57/502501457.db2.gz RZFOFXYPPFMIPP-RBUKOAKNSA-N 2 0 352.567 3.157 20 0 FGADRP CN(C(=O)NCc1ccccc1C[NH+]1CCCCC1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000476487024 502502926 /nfs/dbraw/zinc/50/29/26/502502926.db2.gz JYKIKMRMYBPFSI-OAQYLSRUSA-N 2 0 370.541 3.051 20 0 FGADRP c1ccc([C@H](C[NH+]2CCCC2)NC2CC[NH+](Cc3ccccn3)CC2)cc1 ZINC000480268756 502519002 /nfs/dbraw/zinc/51/90/02/502519002.db2.gz UOCQWRVQZDNDSS-QHCPKHFHSA-N 2 0 364.537 3.473 20 0 FGADRP C[NH+](C)CCOc1cccc(NC(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)c1 ZINC000466295819 502530216 /nfs/dbraw/zinc/53/02/16/502530216.db2.gz HHKZHKTYTYRSRG-IBGZPJMESA-N 2 0 374.529 3.013 20 0 FGADRP C[C@@H]1C[C@H](CC[NH2+]Cc2cn(C(C)(C)C)nn2)C[N@@H+]1Cc1ccccc1 ZINC000480305817 502532580 /nfs/dbraw/zinc/53/25/80/502532580.db2.gz GNWWSQNXVYFHEL-MJGOQNOKSA-N 2 0 355.530 3.423 20 0 FGADRP CCC[N@H+](CC)CCNC(=O)N1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000473170109 502534369 /nfs/dbraw/zinc/53/43/69/502534369.db2.gz DVXNZNDXAFBLDJ-MOPGFXCFSA-N 2 0 352.567 3.014 20 0 FGADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2ccc(-n3ccnc3)cc2C)C1 ZINC000483966664 502535446 /nfs/dbraw/zinc/53/54/46/502535446.db2.gz XMKAMLGACNZAIL-NRFANRHFSA-N 2 0 356.514 3.113 20 0 FGADRP C[C@H]([NH2+][C@H]1CCCN(CC(F)(F)F)C1=O)c1cccc(-n2ccnc2)c1 ZINC000469779784 502542466 /nfs/dbraw/zinc/54/24/66/502542466.db2.gz LBMSSEQCPNWCEU-BBRMVZONSA-N 2 0 366.387 3.076 20 0 FGADRP CCC[N@H+](CC)C[C@@H](C)NC(=O)N(C)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000462721429 502548527 /nfs/dbraw/zinc/54/85/27/502548527.db2.gz MAAUSQNHELFOOY-QUCCMNQESA-N 2 0 360.546 3.023 20 0 FGADRP CN(CC[N@H+](C)C1CC1)C(=O)NC[C@H]1CCCC[NH+](Cc2ccccc2)C1 ZINC000462748017 502556089 /nfs/dbraw/zinc/55/60/89/502556089.db2.gz ZPNHARLMHLJGDL-HXUWFJFHSA-N 2 0 372.557 3.024 20 0 FGADRP C[C@H]1C[C@@H](NC(=O)NCCC[NH+]2CCCC[C@H]2C)C[N@@H+]1Cc1ccccc1 ZINC000466396950 502557967 /nfs/dbraw/zinc/55/79/67/502557967.db2.gz SAOHAPCSBRCNIO-SVFBPWRDSA-N 2 0 372.557 3.213 20 0 FGADRP C[C@H](C[NH+]1CCCCC1)NC(=O)N[C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000487894080 502559146 /nfs/dbraw/zinc/55/91/46/502559146.db2.gz HOIJKVKNYJRVDH-SBHAEUEKSA-N 2 0 372.557 3.071 20 0 FGADRP C[C@@H]1C[C@H](NC(=O)NCCC[NH+]2CCC(C)CC2)C[N@@H+]1Cc1ccccc1 ZINC000466421342 502566581 /nfs/dbraw/zinc/56/65/81/502566581.db2.gz DGIDSIDAPKSWMG-CTNGQTDRSA-N 2 0 372.557 3.071 20 0 FGADRP CCNC(=O)[C@@H](C)[NH2+][C@H](CCC[NH+]1CCC(C)CC1)c1ccc(F)cc1 ZINC000462808669 502583016 /nfs/dbraw/zinc/58/30/16/502583016.db2.gz DZNWJBWOXLTIRR-YLJYHZDGSA-N 2 0 363.521 3.493 20 0 FGADRP CC[NH+](CC)CCOc1ccccc1-c1noc([C@@H]2C[N@H+](C)C[C@H]2C)n1 ZINC000462824289 502587768 /nfs/dbraw/zinc/58/77/68/502587768.db2.gz DTWCBUJUZPYWPK-NVXWUHKLSA-N 2 0 358.486 3.122 20 0 FGADRP O[C@@H]1CC[N@H+](Cc2cccc(N[C@@H]3CCC[NH+](Cc4ccccc4)C3)c2)C1 ZINC000462866752 502605178 /nfs/dbraw/zinc/60/51/78/502605178.db2.gz PKIQFMQMUXHTIG-DHIUTWEWSA-N 2 0 365.521 3.330 20 0 FGADRP O=C(Nc1ccc2c(c1)C[NH2+]CCO2)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000462888605 502615766 /nfs/dbraw/zinc/61/57/66/502615766.db2.gz OVPIMXYMVLMAGD-GOSISDBHSA-N 2 0 365.477 3.019 20 0 FGADRP COc1ccc(C[C@H](C)C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)cc1F ZINC000469980144 502616757 /nfs/dbraw/zinc/61/67/57/502616757.db2.gz BEMMNICTZMTFLS-GIOGAUJUSA-N 2 0 364.505 3.196 20 0 FGADRP C[C@H]([NH2+]CCCC[N@@H+]1CCCC[C@H]1C)c1cccc(NS(C)(=O)=O)c1 ZINC000480609546 502619172 /nfs/dbraw/zinc/61/91/72/502619172.db2.gz LPDNTNBEILAVCS-SJORKVTESA-N 2 0 367.559 3.363 20 0 FGADRP CC(C)[NH+]1CCC(N2CCN(c3cnc(-c4ccccc4)cn3)CC2)CC1 ZINC000488082013 502621499 /nfs/dbraw/zinc/62/14/99/502621499.db2.gz CJOGQSGKXXDYQW-UHFFFAOYSA-N 2 0 365.525 3.138 20 0 FGADRP CC[NH+](CC)CCCC1CC[NH+](Cc2cc(C(=O)OC)c(C)n2C)CC1 ZINC000462911268 502624131 /nfs/dbraw/zinc/62/41/31/502624131.db2.gz KWXAYCZKUGJTNX-UHFFFAOYSA-N 2 0 363.546 3.454 20 0 FGADRP C[C@H](NC(=O)NC1CC[NH+](C(C)(C)C)CC1)[C@H](c1ccccc1)[NH+](C)C ZINC000484345880 502630324 /nfs/dbraw/zinc/63/03/24/502630324.db2.gz WWHSUDCWHBARFR-QFBILLFUSA-N 2 0 360.546 3.240 20 0 FGADRP C[C@@H]1[C@@H](NC(=O)NCCC[NH+]2CCC(C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000476989304 502644004 /nfs/dbraw/zinc/64/40/04/502644004.db2.gz MBKNEORUTNSIFG-CTNGQTDRSA-N 2 0 372.557 3.071 20 0 FGADRP CC(C)[C@@H](C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1)[NH+]1CCCCC1 ZINC000473579923 502644381 /nfs/dbraw/zinc/64/43/81/502644381.db2.gz YXGSODIUWPRUEG-BDTNDASRSA-N 2 0 369.553 3.087 20 0 FGADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000477034914 502655487 /nfs/dbraw/zinc/65/54/87/502655487.db2.gz PWMVCQYYOGXBRE-WOJBJXKFSA-N 2 0 369.553 3.374 20 0 FGADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000477034912 502655580 /nfs/dbraw/zinc/65/55/80/502655580.db2.gz PWMVCQYYOGXBRE-PMACEKPBSA-N 2 0 369.553 3.374 20 0 FGADRP C[C@H]1CCC[C@](CNC(=O)NCc2ccc(CC[NH+](C)C)cc2)([NH+](C)C)C1 ZINC000466797647 502682678 /nfs/dbraw/zinc/68/26/78/502682678.db2.gz WCSQUEZZYMKWJI-AVRDEDQJSA-N 2 0 374.573 3.100 20 0 FGADRP CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)NCc1ccc(CC[NH+](C)C)cc1 ZINC000466806691 502687122 /nfs/dbraw/zinc/68/71/22/502687122.db2.gz NFMOSSMNYVABGE-OAQYLSRUSA-N 2 0 374.573 3.100 20 0 FGADRP Cc1ccc2nc(CSCC(=O)NC[C@H]3CCCC[N@@H+]3C3CC3)cn2c1 ZINC000470173496 502693196 /nfs/dbraw/zinc/69/31/96/502693196.db2.gz LQSLHVKOPCQVFU-GOSISDBHSA-N 2 0 372.538 3.009 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCC(=O)NC1CCCCC1 ZINC000480893245 502699468 /nfs/dbraw/zinc/69/94/68/502699468.db2.gz CMLJYHWGNUIQSM-WIYYLYMNSA-N 2 0 357.542 3.326 20 0 FGADRP COc1cccc2c1CC[C@@H]2[NH2+]Cc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000480903347 502701221 /nfs/dbraw/zinc/70/12/21/502701221.db2.gz DFRMZIZSRKFLHZ-QFIPXVFZSA-N 2 0 365.521 3.220 20 0 FGADRP CC[NH+](CC)CC1CC[NH+](C[C@@H](O)COc2c(C)ccc(C)c2C)CC1 ZINC000488390282 502701326 /nfs/dbraw/zinc/70/13/26/502701326.db2.gz LWVRRKHTTBFTTO-OAQYLSRUSA-N 2 0 362.558 3.405 20 0 FGADRP CC[NH+](CC)[C@H](C(=O)N1CC[C@@H]([C@@H](C)[NH3+])C1)c1cccc(C(F)(F)F)c1 ZINC000484688989 502708872 /nfs/dbraw/zinc/70/88/72/502708872.db2.gz KWQMQOUGTDADPT-UNEWFSDZSA-N 2 0 371.447 3.284 20 0 FGADRP C[NH+]1CCN(Cc2ccc(C[NH2+][C@@H]3CS[C@H](C(C)(C)C)C3)cc2)CC1 ZINC000488420489 502711162 /nfs/dbraw/zinc/71/11/62/502711162.db2.gz WIJNITZAIGQTRB-PMACEKPBSA-N 2 0 361.599 3.444 20 0 FGADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)N(CC[NH+](C)C)C1CCCC1 ZINC000463260271 502738830 /nfs/dbraw/zinc/73/88/30/502738830.db2.gz BTINZIMOXXJOMC-GHTZIAJQSA-N 2 0 372.557 3.023 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C)C[C@@H]1C ZINC000463262982 502740427 /nfs/dbraw/zinc/74/04/27/502740427.db2.gz BNNFLENKJAGAKG-YXYSEUPNSA-N 2 0 372.557 3.021 20 0 FGADRP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCc2ccc(CC[NH+](C)C)cc2)C1 ZINC000466979593 502745957 /nfs/dbraw/zinc/74/59/57/502745957.db2.gz SPKSCWFSWCUFTO-SFHVURJKSA-N 2 0 374.573 3.100 20 0 FGADRP CCCN(CC[NH+]1CCCC1)C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000481137758 502763412 /nfs/dbraw/zinc/76/34/12/502763412.db2.gz HMCDLRWRCRXBDS-OAQYLSRUSA-N 2 0 372.557 3.168 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCN2c3ccccc3C[C@H]2C)[C@@H](C)C1 ZINC000481187185 502777550 /nfs/dbraw/zinc/77/75/50/502777550.db2.gz FKPNARPFKTVTTO-ZVDOUQERSA-N 2 0 359.558 3.164 20 0 FGADRP CC[C@@H](CC(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@@H+]1CC)c1ccccc1 ZINC000505343929 502891059 /nfs/dbraw/zinc/89/10/59/502891059.db2.gz NBXXNHRFWOFVPF-PZJWPPBQSA-N 2 0 359.558 3.445 20 0 FGADRP CC(C)[NH+]1CCN(CCC[N@H+](C)CCOc2ccccc2Cl)CC1 ZINC000500936052 502895510 /nfs/dbraw/zinc/89/55/10/502895510.db2.gz GNTCEESEXSCWRB-UHFFFAOYSA-N 2 0 353.938 3.067 20 0 FGADRP CCCN(CC[NH+]1CCCCC1)C(=O)NCc1cn2c(cccc2C)n1 ZINC000496576358 502895526 /nfs/dbraw/zinc/89/55/26/502895526.db2.gz YUBWLIZUMGHDLI-UHFFFAOYSA-N 2 0 357.502 3.050 20 0 FGADRP Cc1cc(C[N@@H+](C)CCN(C)C2CC[NH+](C)CC2)ccc1Br ZINC000500985928 502906239 /nfs/dbraw/zinc/90/62/39/502906239.db2.gz RQUHSYWOWSPPPQ-UHFFFAOYSA-N 2 0 368.363 3.215 20 0 FGADRP C[N@@H+](CC(=O)Nc1ccccc1F)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501046358 502921146 /nfs/dbraw/zinc/92/11/46/502921146.db2.gz APVATUNRHKFILG-UHFFFAOYSA-N 2 0 356.445 3.008 20 0 FGADRP COc1ccccc1OCC[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501046794 502921339 /nfs/dbraw/zinc/92/13/39/502921339.db2.gz NCKWAZWIMGFSOL-UHFFFAOYSA-N 2 0 355.482 3.317 20 0 FGADRP C[C@H](C(=O)N[C@@H]1CCCC[C@H]1C)[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501054755 502922980 /nfs/dbraw/zinc/92/29/80/502922980.db2.gz VBGWNIADWICTEV-DBXWQHBBSA-N 2 0 372.557 3.313 20 0 FGADRP C[N@@H+](Cc1ccc2c(c1)OCCO2)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501056083 502923777 /nfs/dbraw/zinc/92/37/77/502923777.db2.gz VKNLBTGATOTSNP-UHFFFAOYSA-N 2 0 353.466 3.201 20 0 FGADRP C[C@H](C(=O)N(C)c1ccccc1)[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501063281 502925404 /nfs/dbraw/zinc/92/54/04/502925404.db2.gz NFLCHDZYVHHQRX-GOSISDBHSA-N 2 0 366.509 3.281 20 0 FGADRP CNC(=O)c1ccc(C[NH2+]CC[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)cc1 ZINC000513510938 502956472 /nfs/dbraw/zinc/95/64/72/502956472.db2.gz GRGNBZWIXGDAPU-GHTZIAJQSA-N 2 0 365.521 3.437 20 0 FGADRP c1ccc(N2CC[NH+](CCCN3CCC[C@@H]3C[NH+]3CCCCC3)CC2)cc1 ZINC000509673407 502964682 /nfs/dbraw/zinc/96/46/82/502964682.db2.gz OLKHCIXQOGEGMP-HSZRJFAPSA-N 2 0 370.585 3.149 20 0 FGADRP O[C@H](C[NH2+][C@@H]1CCCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21)C(F)(F)F ZINC000513667598 502995148 /nfs/dbraw/zinc/99/51/48/502995148.db2.gz SMFQEXZLOYNPLV-BRSBDYLESA-N 2 0 356.432 3.190 20 0 FGADRP C[N@@H+]1CC[C@H]([NH2+]CCOc2cccc(Br)c2)[C@@H]2CCC[C@@H]21 ZINC000513673507 502997338 /nfs/dbraw/zinc/99/73/38/502997338.db2.gz SMDFSZILBPXABR-ULQDDVLXSA-N 2 0 353.304 3.290 20 0 FGADRP COc1ccc([C@H](CN[C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)[NH+]2CCCC2)cc1 ZINC000513760204 503017524 /nfs/dbraw/zinc/01/75/24/503017524.db2.gz ILWAKTFCJHZHDB-CZYKHXBRSA-N 2 0 357.542 3.295 20 0 FGADRP O=C(NCCC[NH+]1CCCC1)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000497714161 503022677 /nfs/dbraw/zinc/02/26/77/503022677.db2.gz AJPONCFZLBDOTB-UHFFFAOYSA-N 2 0 372.557 3.348 20 0 FGADRP C[C@@H](CNC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)[N@@H+]1CCCC[C@@H]1C ZINC000501533604 503032141 /nfs/dbraw/zinc/03/21/41/503032141.db2.gz SAMRWYPAJUXSTI-OALUTQOASA-N 2 0 372.557 3.345 20 0 FGADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)NCCC[NH+]1CCCCC1 ZINC000489861512 503051218 /nfs/dbraw/zinc/05/12/18/503051218.db2.gz OJZZYGKEWVDAKL-PZJWPPBQSA-N 2 0 372.557 3.072 20 0 FGADRP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N1CC[NH+](C2CCC2)C[C@@H](C)C1 ZINC000489886890 503057065 /nfs/dbraw/zinc/05/70/65/503057065.db2.gz PMDSXTSIPVGDRV-RTBURBONSA-N 2 0 372.557 3.023 20 0 FGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC[C@@H]1C[C@H](C)[NH+](Cc2ccccc2)C1 ZINC000510260144 503080893 /nfs/dbraw/zinc/08/08/93/503080893.db2.gz RRMPVNCOSCPJDJ-CEWLAPEOSA-N 2 0 357.542 3.278 20 0 FGADRP O=C(NCCC[NH2+]C1CCCCC1)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000501795955 503081355 /nfs/dbraw/zinc/08/13/55/503081355.db2.gz GTGMIIMEQZRCQY-OAQYLSRUSA-N 2 0 372.557 3.435 20 0 FGADRP C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000514122755 503093557 /nfs/dbraw/zinc/09/35/57/503093557.db2.gz NRJWLGBBIKMABX-UAFMIMERSA-N 2 0 366.594 3.164 20 0 FGADRP Cc1ccc([C@@H](CNC(=O)NCCCC[N@H+]2CCC[C@H](C)C2)[NH+](C)C)cc1 ZINC000514133889 503095480 /nfs/dbraw/zinc/09/54/80/503095480.db2.gz DUTDSLFGRPKKTN-PZJWPPBQSA-N 2 0 374.573 3.409 20 0 FGADRP FC(F)(F)c1ccn(-c2ccc(C[N@@H+]3CCC[C@@]4(CC[NH2+]C4)C3)cc2)n1 ZINC000490091209 503107860 /nfs/dbraw/zinc/10/78/60/503107860.db2.gz WGFQRYADYBEUIU-SFHVURJKSA-N 2 0 364.415 3.467 20 0 FGADRP C[C@H](CC[NH+](C)C)NC(=O)NC[C@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000514202305 503111244 /nfs/dbraw/zinc/11/12/44/503111244.db2.gz VOHIECDSZYSVRJ-IAGOWNOFSA-N 2 0 366.575 3.161 20 0 FGADRP C[C@H]1CCC[N@H+](CCNC(=O)NC[C@@H]2CCCC[NH+]2Cc2ccccc2)C1 ZINC000514245434 503124176 /nfs/dbraw/zinc/12/41/76/503124176.db2.gz XRCVGHZESMSSGR-FPOVZHCZSA-N 2 0 372.557 3.072 20 0 FGADRP CC(C)CN(C(=O)c1ccc2c(ccn2CCC[NH3+])c1)C1CC[NH+](C)CC1 ZINC000582666969 506355186 /nfs/dbraw/zinc/35/51/86/506355186.db2.gz MWMRGEUOPMBWSI-UHFFFAOYSA-N 2 0 370.541 3.183 20 0 FGADRP C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000514783828 503192065 /nfs/dbraw/zinc/19/20/65/503192065.db2.gz DTNBVGCOWLJXEL-YLJYHZDGSA-N 2 0 358.530 3.084 20 0 FGADRP C[C@@H](CC[NH+]1CCC(C(=O)NCCC[NH+]2CCCC2)CC1)c1ccccc1 ZINC000514891318 503220007 /nfs/dbraw/zinc/22/00/07/503220007.db2.gz SHVJKJYJSCABQD-FQEVSTJZSA-N 2 0 371.569 3.494 20 0 FGADRP Cc1nccn1CCC[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000510980978 503229148 /nfs/dbraw/zinc/22/91/48/503229148.db2.gz RGRTXMSXHGGRQZ-BHDDXSALSA-N 2 0 352.526 3.472 20 0 FGADRP CC(C)[NH+](CCCNC(=O)N[C@@H](C)[C@H](c1ccccc1)[NH+](C)C)C(C)C ZINC000498705300 503242715 /nfs/dbraw/zinc/24/27/15/503242715.db2.gz ORNLMUIWTUMJHC-AZUAARDMSA-N 2 0 362.562 3.486 20 0 FGADRP C[C@@H]1C[N@H+](CCOc2ccc3ccccc3c2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000491023196 503261830 /nfs/dbraw/zinc/26/18/30/503261830.db2.gz URSZMMCTIZZHTD-XXBNENTESA-N 2 0 367.537 3.176 20 0 FGADRP COc1cccc(C[NH+]2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)c1OC(F)F ZINC000515139588 503279797 /nfs/dbraw/zinc/27/97/97/503279797.db2.gz PGYACTRDCHLMPK-DOTOQJQBSA-N 2 0 370.440 3.015 20 0 FGADRP CC1CC[NH+](CCCCNC(=O)NCC2([NH+](C)C)CCCCC2)CC1 ZINC000502820689 503280733 /nfs/dbraw/zinc/28/07/33/503280733.db2.gz BVPNLUCRFULLDJ-UHFFFAOYSA-N 2 0 352.567 3.062 20 0 FGADRP [NH3+]Cc1ccc(CNC(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)cc1 ZINC000515176362 503284947 /nfs/dbraw/zinc/28/49/47/503284947.db2.gz KMNORUBGMYENPZ-UHFFFAOYSA-N 2 0 366.509 3.495 20 0 FGADRP COc1ccc([C@@H](C[NH3+])CN2CCC[N@H+](Cc3ccc(F)cc3)CC2)cc1 ZINC000515352496 503321592 /nfs/dbraw/zinc/32/15/92/503321592.db2.gz FIJLJRRGCCULDS-FQEVSTJZSA-N 2 0 371.500 3.085 20 0 FGADRP C[C@H](NC(=O)NCC(C)(C)C[NH+]1CCCC1)[C@H](c1ccccc1)[NH+](C)C ZINC000503110772 503349354 /nfs/dbraw/zinc/34/93/54/503349354.db2.gz MMTPOIZMRRHMFN-PKOBYXMFSA-N 2 0 360.546 3.099 20 0 FGADRP C[C@H]([NH2+]C(C)(C)CNC(=O)NCCC[NH+]1CCCCC1)c1ccccc1 ZINC000503113928 503349553 /nfs/dbraw/zinc/34/95/53/503349553.db2.gz DJNUYNCEXIZXRP-SFHVURJKSA-N 2 0 360.546 3.291 20 0 FGADRP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2cccc(I)c2)C1 ZINC000515497427 503351773 /nfs/dbraw/zinc/35/17/73/503351773.db2.gz YKRDKJCFJPVPIF-AWEZNQCLSA-N 2 0 358.267 3.113 20 0 FGADRP CCOc1ccc(OCC[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3CCOC)cc1 ZINC000515677261 503384138 /nfs/dbraw/zinc/38/41/38/503384138.db2.gz SBNRMLXQGXQYCZ-DFNIBXOVSA-N 2 0 362.514 3.038 20 0 FGADRP CC[C@H](C)[NH2+][C@H](CNC(=O)NC[C@H]1[N@H+](C)CCCC1(C)C)c1ccco1 ZINC000503390458 503399654 /nfs/dbraw/zinc/39/96/54/503399654.db2.gz LTOJHBJAWWLAGC-LZLYRXPVSA-N 2 0 364.534 3.128 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccc(Cl)cc1Cl ZINC000499505802 503420981 /nfs/dbraw/zinc/42/09/81/503420981.db2.gz CZPAWGQZMMVUCR-HNNXBMFYSA-N 2 0 372.340 3.482 20 0 FGADRP Cc1cc([C@H](C)[NH2+]CCN2CCC([NH+](C)C)CC2)sc1Br ZINC000512066661 503448960 /nfs/dbraw/zinc/44/89/60/503448960.db2.gz GZGHBKWGECMKIP-ZDUSSCGKSA-N 2 0 374.392 3.496 20 0 FGADRP CN(C(=O)CC[C@H]1CCCC[NH+]1C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000499660084 503452058 /nfs/dbraw/zinc/45/20/58/503452058.db2.gz PBIWQPHVOKDGDJ-NHCUHLMSSA-N 2 0 357.542 3.374 20 0 FGADRP CN1C(=O)C[C@H](NCCC[NH+]2CCCCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000493887561 503453364 /nfs/dbraw/zinc/45/33/64/503453364.db2.gz FTJPTUIZFKXWIT-HKUYNNGSSA-N 2 0 367.896 3.217 20 0 FGADRP C[C@@H]1CCC[C@](CNC(=O)N(CC[NH+](C)C)Cc2ccccc2)([NH+](C)C)C1 ZINC000516155324 503457274 /nfs/dbraw/zinc/45/72/74/503457274.db2.gz LTNLXZPMEFYQLA-KNQAVFIVSA-N 2 0 374.573 3.270 20 0 FGADRP CC(C)CN(CC[NH+](C)C)C(=O)NCC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC000503691074 503460131 /nfs/dbraw/zinc/46/01/31/503460131.db2.gz VATPLTZJENYRIS-GOSISDBHSA-N 2 0 362.562 3.345 20 0 FGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(OC)c(OC)c2C)[C@@H](C)C1 ZINC000516209687 503471678 /nfs/dbraw/zinc/47/16/78/503471678.db2.gz IUCAFRICKMXYOP-QFBILLFUSA-N 2 0 364.530 3.239 20 0 FGADRP CC(C)[NH+](CCN(C)C(=O)NC[C@H](C)[N@H+](C)Cc1ccccc1)C(C)C ZINC000503905573 503486370 /nfs/dbraw/zinc/48/63/70/503486370.db2.gz CCYNAJYRFPMCGB-IBGZPJMESA-N 2 0 362.562 3.267 20 0 FGADRP CC(C)[NH+](CCN(C)C(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1)C(C)C ZINC000503978550 503503229 /nfs/dbraw/zinc/50/32/29/503503229.db2.gz QONBEHLPWZWZHY-RTBURBONSA-N 2 0 354.583 3.115 20 0 FGADRP CC(C)[C@H](CNC(=O)NCc1cccc(C[NH+](C)C)c1)[NH+]1CCCCCC1 ZINC000504188561 503536676 /nfs/dbraw/zinc/53/66/76/503536676.db2.gz NESDDHQWMYCMNG-NRFANRHFSA-N 2 0 374.573 3.448 20 0 FGADRP Cc1ccc(C(=O)NCC[NH2+][C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000508693742 503544821 /nfs/dbraw/zinc/54/48/21/503544821.db2.gz BJQXSLDCWAVDJZ-UGKGYDQZSA-N 2 0 365.521 3.225 20 0 FGADRP C[C@@H]1C[C@@H](CCNC(=O)N2CC[N@H+](C)CC[C@H]2C)C[NH+]1Cc1ccccc1 ZINC000512422850 503545575 /nfs/dbraw/zinc/54/55/75/503545575.db2.gz BEGCAIAJHJZCPF-SFHLNBCPSA-N 2 0 372.557 3.023 20 0 FGADRP C[C@@H](Nc1ccc(N2CCOCC2)cn1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508719130 503550184 /nfs/dbraw/zinc/55/01/84/503550184.db2.gz PAEJUFSTZPIPND-UYAOXDASSA-N 2 0 366.509 3.241 20 0 FGADRP O=C(NCc1ccccc1C[NH+]1CCCCC1)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000504324422 503556304 /nfs/dbraw/zinc/55/63/04/503556304.db2.gz LCHVJACXGXFRBU-LEWJYISDSA-N 2 0 370.541 3.099 20 0 FGADRP c1ccc(C(C[N@@H+]2CC[C@@H](CN3CCOCC3)C2)c2ccccc2)cc1 ZINC000508758409 503559814 /nfs/dbraw/zinc/55/98/14/503559814.db2.gz QUESPWYRYXCEQR-FQEVSTJZSA-N 2 0 350.506 3.473 20 0 FGADRP CCC[C@@H]1CN(C(=O)[C@@H](C)Cc2c[nH]cn2)CC[N@@H+]1Cc1ccccc1 ZINC000516660810 503563397 /nfs/dbraw/zinc/56/33/97/503563397.db2.gz CLCALZWKSGZJJY-FXAWDEMLSA-N 2 0 354.498 3.101 20 0 FGADRP FC(F)(F)c1cccc(CCCC[N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)c1 ZINC000504424989 503572214 /nfs/dbraw/zinc/57/22/14/503572214.db2.gz VZCMDXBEYPBWTO-SFHVURJKSA-N 2 0 355.448 3.008 20 0 FGADRP C[N@H+](CCNC(=O)c1cccc(C[NH+]2CCCC2)c1)Cc1ccccc1 ZINC000516713747 503574846 /nfs/dbraw/zinc/57/48/46/503574846.db2.gz IVWHSVZAIUAUCA-UHFFFAOYSA-N 2 0 351.494 3.144 20 0 FGADRP C[C@H](NC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1)[C@@H](c1ccccc1)[NH+](C)C ZINC000508850113 503577427 /nfs/dbraw/zinc/57/74/27/503577427.db2.gz DXPGHFDPLPFXDF-TYPHKJRUSA-N 2 0 372.557 3.338 20 0 FGADRP O=C(CC[C@H]1CCC[NH2+]1)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000494638108 503579797 /nfs/dbraw/zinc/57/97/97/503579797.db2.gz OXUWGTUJRGNDSM-IRLDBZIGSA-N 2 0 355.526 3.033 20 0 FGADRP O=C(CC[C@@H]1CCC[NH2+]1)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000494638110 503580393 /nfs/dbraw/zinc/58/03/93/503580393.db2.gz OXUWGTUJRGNDSM-RBBKRZOGSA-N 2 0 355.526 3.033 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)CC[C@H]2CCC[NH2+]2)C1 ZINC000494686941 503592341 /nfs/dbraw/zinc/59/23/41/503592341.db2.gz PNAMOMLCUWUAAD-LVCYWYKZSA-N 2 0 357.542 3.313 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@H](C)[C@@H](c2ccccc2C)[NH+](C)C)[C@H](C)C1 ZINC000508917602 503599684 /nfs/dbraw/zinc/59/96/84/503599684.db2.gz IBRNPKMCUWFOED-QCFAMHMHSA-N 2 0 374.573 3.358 20 0 FGADRP O[C@H]1CC[N@H+](Cc2ccccc2C[NH2+]C2CC(OCc3ccccc3)C2)C1 ZINC000494746785 503603387 /nfs/dbraw/zinc/60/33/87/503603387.db2.gz QMLNJCPQVDVBDE-KOENEWCDSA-N 2 0 366.505 3.091 20 0 FGADRP Cc1cnc(C(C)(C)[NH2+]CCCN2CCN(c3ccccc3)CC2)s1 ZINC000509007775 503617720 /nfs/dbraw/zinc/61/77/20/503617720.db2.gz RXZVVRBZSWNYJG-UHFFFAOYSA-N 2 0 358.555 3.489 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@H](C)[C@H]2CCC[NH+](C3CCC3)C2)C[C@@H]1C ZINC000512713180 503619083 /nfs/dbraw/zinc/61/90/83/503619083.db2.gz XOWBBCMTOVVZNU-DMUMMCEESA-N 2 0 364.578 3.154 20 0 FGADRP CC(C)C[C@@H](C[NH+](C)C)NC(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000504863785 503628320 /nfs/dbraw/zinc/62/83/20/503628320.db2.gz MTEZUAMNWYZJII-NRFANRHFSA-N 2 0 374.573 3.448 20 0 FGADRP CCOc1cccc(C[NH2+]CCCN2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000512820240 503639799 /nfs/dbraw/zinc/63/97/99/503639799.db2.gz HHRORVPFMDVDDY-UHFFFAOYSA-N 2 0 367.537 3.383 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)N2CCC[C@H]2C[NH+]2CCCCC2)C1 ZINC000517148993 503656520 /nfs/dbraw/zinc/65/65/20/503656520.db2.gz NVAJRTRVFGJMOA-ZCNNSNEGSA-N 2 0 364.578 3.014 20 0 FGADRP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)c2cccc(C[NH+]3CCCC3)c2)C1 ZINC000517095668 503667525 /nfs/dbraw/zinc/66/75/25/503667525.db2.gz BAHRIFCVGZCNBU-RTBURBONSA-N 2 0 357.542 3.380 20 0 FGADRP O=C(NC[C@H]1CC[N@@H+]1C1CCCCC1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000529719308 503678655 /nfs/dbraw/zinc/67/86/55/503678655.db2.gz XDDGRQMIXUHDFM-TZIWHRDSSA-N 2 0 355.526 3.032 20 0 FGADRP CC[C@H](O)[C@@H]1CCCC[NH+]1CCCCC[N@H+]1CCCC[C@H]1[C@@H](O)CC ZINC000532990409 503691575 /nfs/dbraw/zinc/69/15/75/503691575.db2.gz CVHNEGVOJJPVBD-TUFLPTIASA-N 2 0 354.579 3.408 20 0 FGADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@H](C)c1ccc([S@](C)=O)cc1 ZINC000543242077 503694836 /nfs/dbraw/zinc/69/48/36/503694836.db2.gz YTPGDAGTCNDXSL-PWECECGKSA-N 2 0 354.479 3.164 20 0 FGADRP C[NH+](C)CCNC(=O)c1ccc(C[NH2+][C@H]2CCC[C@H]2c2ccccc2)cc1 ZINC000540175441 503697523 /nfs/dbraw/zinc/69/75/23/503697523.db2.gz IKCNHYWQMLTHSM-VXKWHMMOSA-N 2 0 365.521 3.404 20 0 FGADRP C[C@@H](CCNC(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+])[N@H+](C)Cc1ccccc1 ZINC000517366680 503727182 /nfs/dbraw/zinc/72/71/82/503727182.db2.gz NZWCKCYGJSSPBE-NENHHDIKSA-N 2 0 357.542 3.167 20 0 FGADRP CC1CC[NH+](CCCCNC(=O)NCC[NH+]2[C@H](C)CCC[C@H]2C)CC1 ZINC000517393509 503735176 /nfs/dbraw/zinc/73/51/76/503735176.db2.gz REDIHXCPWZVCCU-RTBURBONSA-N 2 0 352.567 3.061 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)N1CC[C@H]([NH+]2CCCCC2)C1)CC(C)C ZINC000517419803 503741188 /nfs/dbraw/zinc/74/11/88/503741188.db2.gz DOJBMESYEPZTQO-RBUKOAKNSA-N 2 0 352.567 3.013 20 0 FGADRP C[C@@H]([NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000536855924 503742278 /nfs/dbraw/zinc/74/22/78/503742278.db2.gz CHLIEBUOTZTZQB-IXDOHACOSA-N 2 0 373.541 3.456 20 0 FGADRP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(C[NH2+]C/C=C\c3ccccc3)c2)C1 ZINC000517453164 503749842 /nfs/dbraw/zinc/74/98/42/503749842.db2.gz YIKOSLRTRRDWAN-HRCHSMGBSA-N 2 0 363.505 3.187 20 0 FGADRP Cc1nn(-c2cc[nH+]cc2)cc1CN1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000543396471 503753500 /nfs/dbraw/zinc/75/35/00/503753500.db2.gz HGVWKIJJOXEJDB-GOSISDBHSA-N 2 0 361.493 3.282 20 0 FGADRP Cc1cc([C@@H]([NH2+]CCCC[NH+]2CCN(C)CC2)c2cccnc2)ccc1F ZINC000543405293 503757678 /nfs/dbraw/zinc/75/76/78/503757678.db2.gz WIALRBMCUGYLFY-JOCHJYFZSA-N 2 0 370.516 3.236 20 0 FGADRP CC(C)[C@H]([NH2+]CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)c1ccccc1 ZINC000546592093 503799964 /nfs/dbraw/zinc/79/99/64/503799964.db2.gz OMVZOBAIRZLXDH-IRLDBZIGSA-N 2 0 353.510 3.392 20 0 FGADRP OC[C@H](C[NH2+]C1CC[NH+](CC2CC2)CC1)Cc1ccccc1C(F)(F)F ZINC000537094999 503801609 /nfs/dbraw/zinc/80/16/09/503801609.db2.gz GDVLMGHWHGNTNL-INIZCTEOSA-N 2 0 370.459 3.320 20 0 FGADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000517740752 503823690 /nfs/dbraw/zinc/82/36/90/503823690.db2.gz UDKILFNUKSPVKV-MSOLQXFVSA-N 2 0 352.567 3.061 20 0 FGADRP CC[C@@H]([NH2+]CCc1ccc(OCC[NH+]2CCCC2)cc1)c1ccn(C)n1 ZINC000543626211 503833469 /nfs/dbraw/zinc/83/34/69/503833469.db2.gz XAVOQUWOZMQKDQ-HXUWFJFHSA-N 2 0 356.514 3.178 20 0 FGADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)NCC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)C1 ZINC000517887973 503858327 /nfs/dbraw/zinc/85/83/27/503858327.db2.gz MUTYBTUTBOIHLO-GUDVDZBRSA-N 2 0 366.594 3.163 20 0 FGADRP CC(C)[C@@H]1C[C@H]([NH2+]CCCC[NH+]2CCN(Cc3ccccc3)CC2)CCO1 ZINC000540707153 503862830 /nfs/dbraw/zinc/86/28/30/503862830.db2.gz PZUARTGCGUFUCL-PKTZIBPZSA-N 2 0 373.585 3.378 20 0 FGADRP O=C1c2ccccc2C(=O)N1[C@H]1CCCC[C@@H]([NH2+]CCC[NH+]2CCCC2)C1 ZINC000533548877 503885529 /nfs/dbraw/zinc/88/55/29/503885529.db2.gz ASUKOLNPHRSTDS-MSOLQXFVSA-N 2 0 369.509 3.059 20 0 FGADRP COc1ccc(C[C@@H](C)C[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)cc1F ZINC000530248309 503893885 /nfs/dbraw/zinc/89/38/85/503893885.db2.gz INMPFYHDONIETP-VQIMIIECSA-N 2 0 364.505 3.103 20 0 FGADRP Cc1cc(C[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)ccc1Br ZINC000530248708 503893959 /nfs/dbraw/zinc/89/39/59/503893959.db2.gz OKNTXJNBLKZSRJ-KRWDZBQOSA-N 2 0 367.331 3.348 20 0 FGADRP Clc1ccc(-c2n[nH]cc2C[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000530248339 503894656 /nfs/dbraw/zinc/89/46/56/503894656.db2.gz JGGKFYGFMJPVSP-LJQANCHMSA-N 2 0 374.916 3.321 20 0 FGADRP C[C@H]1C[C@H](CCNC(=O)c2c[nH+]ccc2N(C)C)C[N@@H+]1Cc1ccccc1 ZINC000546855937 503903711 /nfs/dbraw/zinc/90/37/11/503903711.db2.gz NIOCGAFGXSZTPK-HKUYNNGSSA-N 2 0 366.509 3.178 20 0 FGADRP CSC[C@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1ccc(C(F)(F)F)cc1 ZINC000540987513 503965317 /nfs/dbraw/zinc/96/53/17/503965317.db2.gz QPTOYKDMUMFPPH-HNNXBMFYSA-N 2 0 362.461 3.156 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000518402559 503975144 /nfs/dbraw/zinc/97/51/44/503975144.db2.gz HDXUKTPASHZSQY-NSHGMRRFSA-N 2 0 374.573 3.345 20 0 FGADRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCCC[NH+]2CCCC[C@H]2C)C1 ZINC000518460443 503991441 /nfs/dbraw/zinc/99/14/41/503991441.db2.gz DIXSORFAXOJXJX-QZTJIDSGSA-N 2 0 352.567 3.061 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H](NC[C@H]2CC[NH+]2C2CCCCC2)[C@@H](C)C1 ZINC000527950030 504012630 /nfs/dbraw/zinc/01/26/30/504012630.db2.gz OUOMJJSSXBQEJY-TYPHKJRUSA-N 2 0 351.579 3.120 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)N2CC[C@H]([NH+]3CCCCC3)C2)C1 ZINC000518593128 504022879 /nfs/dbraw/zinc/02/28/79/504022879.db2.gz ZVGHPAPGGWYHBM-ZCNNSNEGSA-N 2 0 364.578 3.014 20 0 FGADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2cccc(Br)c2)C1 ZINC000530627326 504032549 /nfs/dbraw/zinc/03/25/49/504032549.db2.gz SPOKGOJYXUBEKS-KRWDZBQOSA-N 2 0 355.320 3.382 20 0 FGADRP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]CCOCc2ccccc2)CC1 ZINC000537778503 504037902 /nfs/dbraw/zinc/03/79/02/504037902.db2.gz NLDKYTHIWKQGAO-UHFFFAOYSA-N 2 0 373.928 3.398 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)CC(=O)N[C@H](c2ccc(OC)cc2)C2CC2)C[C@@H]1C ZINC000530662413 504043020 /nfs/dbraw/zinc/04/30/20/504043020.db2.gz ZYHKVRVNGGRIFT-BPXKWBHBSA-N 2 0 373.541 3.067 20 0 FGADRP CC(C)[NH+]1CCC([NH2+]C[C@@H](CO)Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000541231569 504051911 /nfs/dbraw/zinc/05/19/11/504051911.db2.gz RHJMSKYTHYCEBS-INIZCTEOSA-N 2 0 358.448 3.319 20 0 FGADRP O=C(C[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1)NC1CCCCC1 ZINC000534231752 504078269 /nfs/dbraw/zinc/07/82/69/504078269.db2.gz AREYOHXWENRWFP-UHFFFAOYSA-N 2 0 369.553 3.423 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccccc2-c2cnn(C)c2)[C@@H](C)C1 ZINC000537952497 504093226 /nfs/dbraw/zinc/09/32/26/504093226.db2.gz IDIWRWDVNMLYDT-AVRDEDQJSA-N 2 0 370.541 3.314 20 0 FGADRP C[C@H](CCN1C(=O)c2ccccc2C1=O)[NH2+]CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000547421163 504098407 /nfs/dbraw/zinc/09/84/07/504098407.db2.gz XWFXWINOUKONOM-FGTMMUONSA-N 2 0 371.525 3.019 20 0 FGADRP C[C@H](C[NH+]1CCCCC1)NC(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000530840419 504103189 /nfs/dbraw/zinc/10/31/89/504103189.db2.gz BKNRGQSWFJOUHK-QAPCUYQASA-N 2 0 366.937 3.116 20 0 FGADRP COC(=O)c1cc2c(o1)c(OC)ccc2C[NH2+]C[C@@H](C)C[NH+]1CCCC1 ZINC000530904300 504125078 /nfs/dbraw/zinc/12/50/78/504125078.db2.gz LQFIUMYKWCMZBT-CQSZACIVSA-N 2 0 360.454 3.050 20 0 FGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H](c2ccc3[nH]c(=O)oc3c2)C(C)C)CC1 ZINC000538098112 504132694 /nfs/dbraw/zinc/13/26/94/504132694.db2.gz AMLHAWHHWGLOIC-UZLBHIALSA-N 2 0 374.529 3.094 20 0 FGADRP CC[NH+](CC)C[C@H](C)NC(=O)NCc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000519078355 504133766 /nfs/dbraw/zinc/13/37/66/504133766.db2.gz OMJVULDRONTKNV-OALUTQOASA-N 2 0 374.573 3.448 20 0 FGADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC000528285443 504147372 /nfs/dbraw/zinc/14/73/72/504147372.db2.gz JCXHYIJCWKSVEY-OAQYLSRUSA-N 2 0 372.557 3.297 20 0 FGADRP C[C@H](CNC(=O)NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1)[NH+](C)C1CC1 ZINC000519204726 504164672 /nfs/dbraw/zinc/16/46/72/504164672.db2.gz AFLJWNWGADLKSO-QZTJIDSGSA-N 2 0 372.557 3.343 20 0 FGADRP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+][C@H](c1ccc(F)cc1)c1cccnc1 ZINC000541542754 504170468 /nfs/dbraw/zinc/17/04/68/504170468.db2.gz DEVMTXRDFFUSPR-LEWJYISDSA-N 2 0 357.473 3.137 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc2cscc2s1 ZINC000528335705 504174623 /nfs/dbraw/zinc/17/46/23/504174623.db2.gz OICQRFJUTRPCNA-OAHLLOKOSA-N 2 0 365.568 3.451 20 0 FGADRP C[C@@H]1CCC[N@H+](CCN[C@@H]2CC3(CC[NH+](C)CC3)Oc3ccccc32)C1 ZINC000538276013 504185131 /nfs/dbraw/zinc/18/51/31/504185131.db2.gz MFCQKGFZCATSIY-UYAOXDASSA-N 2 0 357.542 3.296 20 0 FGADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H](O)COCc2ccccc2Cl)C[C@@H]1C ZINC000531139524 504202088 /nfs/dbraw/zinc/20/20/88/504202088.db2.gz CBLKDEFQCJWYFC-SZMVWBNQSA-N 2 0 354.922 3.022 20 0 FGADRP CCC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N(C)CC1CC[NH+](C)CC1 ZINC000528423236 504218620 /nfs/dbraw/zinc/21/86/20/504218620.db2.gz MFWKQUUBUOMIRH-FGZHOGPDSA-N 2 0 371.569 3.335 20 0 FGADRP CC[NH+](CC)CC1CCN(C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)CC1 ZINC000534721170 504223997 /nfs/dbraw/zinc/22/39/97/504223997.db2.gz KRGBQOZHLIZBFS-SFTDATJTSA-N 2 0 372.557 3.195 20 0 FGADRP CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(CN3CC[NH+](C)CC3)cc2)C12CCCC2 ZINC000538398022 504234482 /nfs/dbraw/zinc/23/44/82/504234482.db2.gz AVKMSFGGGZWCPQ-FGZHOGPDSA-N 2 0 371.569 3.261 20 0 FGADRP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N1CCC(C[NH+](C)Cc2ccccc2)CC1 ZINC000519618192 504274861 /nfs/dbraw/zinc/27/48/61/504274861.db2.gz XRCRELDYWUGAHR-LJQANCHMSA-N 2 0 374.573 3.269 20 0 FGADRP C[C@H]([NH2+][C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C)c1ccc(Cl)cc1 ZINC000538587630 504294584 /nfs/dbraw/zinc/29/45/84/504294584.db2.gz TZLOSDLXVLHCBQ-JXFKEZNVSA-N 2 0 373.928 3.280 20 0 FGADRP C(C[NH+]1CCC[C@@H]1C1CCOCC1)C[N@@H+]1CCC[C@H]1C1CCOCC1 ZINC000538629049 504310108 /nfs/dbraw/zinc/31/01/08/504310108.db2.gz WYJBWCFJODTWJP-OYRHEFFESA-N 2 0 350.547 3.159 20 0 FGADRP OC[C@@]1([NH2+]Cc2cccc(C[NH+]3CCCCC3)c2)COc2ccccc2C1 ZINC000528646169 504311092 /nfs/dbraw/zinc/31/10/92/504311092.db2.gz QDYVNTGMTPMANM-HSZRJFAPSA-N 2 0 366.505 3.128 20 0 FGADRP C[C@@H]1C[N@H+](CCCOc2ccc(Cl)cc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000535013336 504313066 /nfs/dbraw/zinc/31/30/66/504313066.db2.gz YQKQMLYIASTUEH-XLIONFOSSA-N 2 0 365.949 3.067 20 0 FGADRP CCC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000528657037 504316884 /nfs/dbraw/zinc/31/68/84/504316884.db2.gz QOGKVXKAYRXDQB-AYWYSENESA-N 2 0 357.542 3.134 20 0 FGADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N(C)CCC[NH+]2CCCC2)C1 ZINC000541977535 504320467 /nfs/dbraw/zinc/32/04/67/504320467.db2.gz SFEZONWQAFILKX-GOSISDBHSA-N 2 0 352.567 3.014 20 0 FGADRP CC1CC[NH+](CCc2cccc(NC(=O)N[C@@H]3CC[NH2+]C34CCC4)c2)CC1 ZINC000528685579 504331372 /nfs/dbraw/zinc/33/13/72/504331372.db2.gz NMYCYTBTHOSYOH-HXUWFJFHSA-N 2 0 370.541 3.367 20 0 FGADRP C[C@H]([NH2+]CC1(C(=O)N(C)C)CCCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000548156425 504350570 /nfs/dbraw/zinc/35/05/70/504350570.db2.gz ILUGMSKRNYBQJD-AZUAARDMSA-N 2 0 357.542 3.135 20 0 FGADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2c[nH]nc2-c2cccc(C)c2)C1 ZINC000538749645 504357328 /nfs/dbraw/zinc/35/73/28/504357328.db2.gz YYPRSGXKWXUVOY-FQEVSTJZSA-N 2 0 356.514 3.318 20 0 FGADRP CC1CC[NH+](CCc2cccc(NC(=O)NC[C@H]3CCC[N@H+](C)C3)c2)CC1 ZINC000538773326 504365102 /nfs/dbraw/zinc/36/51/02/504365102.db2.gz JBKNCNNAQSDCIC-HXUWFJFHSA-N 2 0 372.557 3.424 20 0 FGADRP C[C@@H]([NH2+]CCCC[NH+]1CCN(C)CC1)c1cccc(Br)c1 ZINC000531686967 504393306 /nfs/dbraw/zinc/39/33/06/504393306.db2.gz VCSUEOYKPAEVBH-OAHLLOKOSA-N 2 0 354.336 3.127 20 0 FGADRP CC(C)O[C@@H]1C[C@H]([NH2+][C@@H](CN2CC[NH+](C)CC2)c2ccccc2)C1(C)C ZINC000545201115 504394054 /nfs/dbraw/zinc/39/40/54/504394054.db2.gz MYUHVDDPSFFSFW-PCCBWWKXSA-N 2 0 359.558 3.157 20 0 FGADRP C[C@H]([NH2+]CCCN1CCC[N@H+](C)CC1)c1sccc1Br ZINC000531704198 504398028 /nfs/dbraw/zinc/39/80/28/504398028.db2.gz UQGNZWTWXOOUCS-ZDUSSCGKSA-N 2 0 360.365 3.189 20 0 FGADRP C[N@@H+]1CC[C@H](NC(=O)c2ccc(Nc3cc[nH+]cc3)cc2)[C@@H]1c1ccccc1 ZINC000535469438 504443817 /nfs/dbraw/zinc/44/38/17/504443817.db2.gz ONCBNIXGXAZGDX-VXKWHMMOSA-N 2 0 372.472 3.422 20 0 FGADRP COCCOc1ccc(C[NH2+][C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000548483919 504462582 /nfs/dbraw/zinc/46/25/82/504462582.db2.gz BAKZPPIXDRRGOB-NQIIRXRSSA-N 2 0 369.509 3.107 20 0 FGADRP C[C@@H]1CN(C)C[C@@H]1[NH2+]C1CCN(Cc2cccc(C(F)(F)F)c2)CC1 ZINC000531938366 504480603 /nfs/dbraw/zinc/48/06/03/504480603.db2.gz HFJFKAGRECLOFD-KDOFPFPSSA-N 2 0 355.448 3.210 20 0 FGADRP CCN1CC[NH+](CCCC[NH2+][C@H](c2ccc3[nH]c(=O)oc3c2)C(C)C)CC1 ZINC000539162380 504490647 /nfs/dbraw/zinc/49/06/47/504490647.db2.gz ZLCZBZDAJSTPFZ-FQEVSTJZSA-N 2 0 374.529 3.238 20 0 FGADRP CC(C)[NH+]1CCC([NH2+]C[C@H](CO)Cc2ccccc2OC(F)(F)F)CC1 ZINC000531988099 504495543 /nfs/dbraw/zinc/49/55/43/504495543.db2.gz VEKQFFOLUHAOCD-OAHLLOKOSA-N 2 0 374.447 3.199 20 0 FGADRP C[C@@H]([NH2+]CCc1ccc(OCC[N@@H+]2C[C@H](C)[C@H](C)C2)cc1)[C@@H]1CCCO1 ZINC000542493599 504512821 /nfs/dbraw/zinc/51/28/21/504512821.db2.gz GKSZBJMBAUMCNH-MOXWOTFGSA-N 2 0 360.542 3.353 20 0 FGADRP C[NH+](C)[C@@H]1CCc2cc(NC(=O)NC[C@H]3CC[N@@H+]3C3CCCC3)ccc21 ZINC000529116504 504541195 /nfs/dbraw/zinc/54/11/95/504541195.db2.gz YJIOQESWUMZJTF-UYAOXDASSA-N 2 0 356.514 3.374 20 0 FGADRP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000520760500 504575838 /nfs/dbraw/zinc/57/58/38/504575838.db2.gz AZWJXTGTRBMHCG-KDURUIRLSA-N 2 0 357.542 3.278 20 0 FGADRP COc1ccc([C@H]2CCCCCN2C(=O)C[NH+]2CCC(CC[NH3+])CC2)cc1 ZINC000520824509 504590997 /nfs/dbraw/zinc/59/09/97/504590997.db2.gz XCRXIUJNQGVOTA-OAQYLSRUSA-N 2 0 373.541 3.200 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)NCCC[N@@H+]1CCCC[C@H]1C)c1ccco1 ZINC000520892814 504604965 /nfs/dbraw/zinc/60/49/65/504604965.db2.gz OIDVQGCRFAFZQG-QZTJIDSGSA-N 2 0 364.534 3.226 20 0 FGADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](C[C@@H](OC)c2ccc(Cl)cc2)C1 ZINC000549137519 504699211 /nfs/dbraw/zinc/69/92/11/504699211.db2.gz UOXGJSFIGGKZRQ-RTBURBONSA-N 2 0 354.922 3.460 20 0 FGADRP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(OC)c3oc(C(=O)OC)cc32)[C@@H](C)C1 ZINC000539819345 504701013 /nfs/dbraw/zinc/70/10/13/504701013.db2.gz ZPURMEYUPNAQLA-YOEHRIQHSA-N 2 0 374.481 3.390 20 0 FGADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCC(C[NH+](C)C(C)C)CC1 ZINC000521308659 504706529 /nfs/dbraw/zinc/70/65/29/504706529.db2.gz AXENUEHDJPBHDT-HXUWFJFHSA-N 2 0 366.594 3.403 20 0 FGADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H]1CCCc2c(Br)cccc21 ZINC000543083497 504718148 /nfs/dbraw/zinc/71/81/48/504718148.db2.gz OPXRWWYWHWOUGI-RDTXWAMCSA-N 2 0 366.347 3.052 20 0 FGADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]C[C@H]2CCC3(CCOCC3)[C@H]2O)CC1 ZINC000549235175 504733739 /nfs/dbraw/zinc/73/37/39/504733739.db2.gz IFMWJOLBWIYELF-QCFAMHMHSA-N 2 0 364.574 3.187 20 0 FGADRP COC(=O)c1cc(C[NH2+]CC[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)cn1C ZINC000521511948 504750348 /nfs/dbraw/zinc/75/03/48/504750348.db2.gz HFKUTABJUVVADF-HKUYNNGSSA-N 2 0 369.509 3.202 20 0 FGADRP CC(C)[N@@H+]1CC[C@@H](CNCc2cn(-c3cccc(Cl)c3Cl)nn2)C1 ZINC000549543783 504846092 /nfs/dbraw/zinc/84/60/92/504846092.db2.gz YFTFKHKKLFLXKG-ZDUSSCGKSA-N 2 0 368.312 3.394 20 0 FGADRP CC(C)[C@]1(CO)CCC[NH+](CCCC[N@H+]2CCC[C@@](CO)(C(C)C)C2)C1 ZINC000559424404 504859224 /nfs/dbraw/zinc/85/92/24/504859224.db2.gz FQGQAQWMGSYDLU-FGZHOGPDSA-N 2 0 368.606 3.228 20 0 FGADRP CC(C)[C@]1(CO)CCC[N@H+](CCCC[NH+]2CCC[C@](CO)(C(C)C)C2)C1 ZINC000559424405 504859270 /nfs/dbraw/zinc/85/92/70/504859270.db2.gz FQGQAQWMGSYDLU-SZPZYZBQSA-N 2 0 368.606 3.228 20 0 FGADRP O=C(C[NH2+][C@H](c1ccc(Cl)cc1)C1CC1)NC1CC[NH+](C2CC2)CC1 ZINC000553315034 504880640 /nfs/dbraw/zinc/88/06/40/504880640.db2.gz MOMHMSKWDBQEOT-FQEVSTJZSA-N 2 0 361.917 3.124 20 0 FGADRP CN(CCC[N@H+](C)Cc1ccco1)C(=O)[C@@H]1CCC[NH+]1Cc1ccccc1 ZINC000553405061 504906090 /nfs/dbraw/zinc/90/60/90/504906090.db2.gz ZGVYRWWKELSUSW-NRFANRHFSA-N 2 0 369.509 3.225 20 0 FGADRP COc1ccc(OCc2nc(CN3CCC(CC[NH3+])CC3)cs2)cc1 ZINC000565541300 504918024 /nfs/dbraw/zinc/91/80/24/504918024.db2.gz MZAUUYUZIPPRDZ-UHFFFAOYSA-N 2 0 361.511 3.292 20 0 FGADRP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000553510651 504935875 /nfs/dbraw/zinc/93/58/75/504935875.db2.gz GOEZDKJTDYYLDT-LMNJBCLMSA-N 2 0 373.516 3.123 20 0 FGADRP CC[NH+](CC)Cc1ccc(C(=O)N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)cc1 ZINC000553525799 504939880 /nfs/dbraw/zinc/93/98/80/504939880.db2.gz KQWRRHKJFONWCM-GOSISDBHSA-N 2 0 357.542 3.475 20 0 FGADRP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH2+][C@@H]1CCOC2(CCOCC2)C1 ZINC000553541565 504944947 /nfs/dbraw/zinc/94/49/47/504944947.db2.gz RWZBRKSOBCWWDU-HXUWFJFHSA-N 2 0 360.542 3.462 20 0 FGADRP COc1cccc(C[NH+]2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)c1OC(F)F ZINC000565645536 504947239 /nfs/dbraw/zinc/94/72/39/504947239.db2.gz ZQKRTTIYKCAZMK-RDJZCZTQSA-N 2 0 370.440 3.015 20 0 FGADRP Cc1cc(-c2noc([C@H](C)[NH+]3CCC([C@@H]4OCC[C@H]4[NH3+])CC3)n2)ccc1F ZINC000565657852 504951333 /nfs/dbraw/zinc/95/13/33/504951333.db2.gz DGKDOJAZFNNSIT-VHSSKADRSA-N 2 0 374.460 3.073 20 0 FGADRP COCC[N@H+](C)CCCN[C@@H]1CCCC[C@H]2C[NH+](Cc3ccccc3)C[C@@H]21 ZINC000556874130 505002233 /nfs/dbraw/zinc/00/22/33/505002233.db2.gz WMRFDQJEDAQCHY-RJGXRXQPSA-N 2 0 373.585 3.235 20 0 FGADRP CC[C@H](C(=O)N1CC[NH+]([C@@H]2C[C@@H]2C)C[C@@H](C)C1)[N@H+](C)Cc1ccccc1 ZINC000553768551 505004202 /nfs/dbraw/zinc/00/42/02/505004202.db2.gz PWQBPEGZYITJLP-KOUHRCEDSA-N 2 0 357.542 3.086 20 0 FGADRP C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)C[C@H]3CCCC[C@H]3[NH3+])cc2)C1 ZINC000563060541 505036919 /nfs/dbraw/zinc/03/69/19/505036919.db2.gz IJWVGVJIHHJLDC-DUXKGJEZSA-N 2 0 357.542 3.442 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1 ZINC000557032537 505048691 /nfs/dbraw/zinc/04/86/91/505048691.db2.gz HZNNJGWTHYAIER-OAHLLOKOSA-N 2 0 367.921 3.483 20 0 FGADRP CC1CC[NH+](Cc2ccc(CNC(=O)[C@@H]3C[C@H]4CCCC[C@H]4[NH2+]3)cc2)CC1 ZINC000553954599 505052485 /nfs/dbraw/zinc/05/24/85/505052485.db2.gz WAWCCXQSKSGFGT-VSKRKVRLSA-N 2 0 369.553 3.455 20 0 FGADRP Cc1ccc(C[NH2+]Cc2ccc(C(=O)NCC[NH+](C)C)cc2)c(Cl)c1 ZINC000566013754 505055138 /nfs/dbraw/zinc/05/51/38/505055138.db2.gz AYEFENICAJEOAK-UHFFFAOYSA-N 2 0 359.901 3.230 20 0 FGADRP [NH3+][C@H]1CCC[C@H](CNC(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)C1 ZINC000566056236 505068092 /nfs/dbraw/zinc/06/80/92/505068092.db2.gz CZZKXWIZQXIMKG-OALUTQOASA-N 2 0 358.530 3.354 20 0 FGADRP COc1ccc(O[C@H](C)C[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000566089328 505077010 /nfs/dbraw/zinc/07/70/10/505077010.db2.gz YUWYCRGURONJLI-QGCDCVKKSA-N 2 0 368.477 3.308 20 0 FGADRP CC(C)[N@@H+]1CCCC[C@H]1CN1CCC(CC[NH+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000550682068 505084878 /nfs/dbraw/zinc/08/48/78/505084878.db2.gz ULMGPVVLEFYAKD-VWPQPMDRSA-N 2 0 365.606 3.461 20 0 FGADRP C[C@@H]1C[C@@H](CCNC(=O)c2ccc3c[nH+]cn3c2)C[N@@H+]1Cc1ccccc1 ZINC000550716233 505089752 /nfs/dbraw/zinc/08/97/52/505089752.db2.gz XXFVUVVZMDHJDL-IEBWSBKVSA-N 2 0 362.477 3.365 20 0 FGADRP C[NH+](C)C[C@@H](CNC(=O)CC[C@H]1CCCC[N@@H+]1C)c1ccc(Cl)cc1 ZINC000560506142 505107556 /nfs/dbraw/zinc/10/75/56/505107556.db2.gz IZDGMQZENDXBTM-IEBWSBKVSA-N 2 0 365.949 3.366 20 0 FGADRP CC[NH+](CC)CCCC1CCN(C(=O)NCc2ccc(C[NH3+])cc2)CC1 ZINC000566188692 505107640 /nfs/dbraw/zinc/10/76/40/505107640.db2.gz DWNUOPFUIISDEC-UHFFFAOYSA-N 2 0 360.546 3.189 20 0 FGADRP Cc1ccc(NC(=O)NC[C@@H]2CCC[N@H+](CC[C@H]3CCC[NH2+]C3)C2)cc1 ZINC000557336481 505109240 /nfs/dbraw/zinc/10/92/40/505109240.db2.gz TYQJUSSDMXRGGT-MOPGFXCFSA-N 2 0 358.530 3.218 20 0 FGADRP c1ccc(N2CCO[C@@H](C[NH+]3CCC(CCC[NH+]4CCCC4)CC3)C2)cc1 ZINC000563350130 505117539 /nfs/dbraw/zinc/11/75/39/505117539.db2.gz LJBVEQUJOJZLTA-QHCPKHFHSA-N 2 0 371.569 3.480 20 0 FGADRP CC[NH+]1CCN(Cc2ccc(C[NH2+][C@H](C)c3ccnc(OC)c3)cc2)CC1 ZINC000550893219 505121825 /nfs/dbraw/zinc/12/18/25/505121825.db2.gz VNULXXBWXISLJK-GOSISDBHSA-N 2 0 368.525 3.079 20 0 FGADRP Cc1cc(C)c([C@H](C)[N@@H+]2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)c(C)c1 ZINC000566244294 505121850 /nfs/dbraw/zinc/12/18/50/505121850.db2.gz QLUZZZJKGMUDKZ-XUVXKRRUSA-N 2 0 357.542 3.253 20 0 FGADRP O=C(C[NH2+]C1CC(c2cccc(Cl)c2)C1)NCC[NH+]1CCCCCC1 ZINC000560547392 505122030 /nfs/dbraw/zinc/12/20/30/505122030.db2.gz VETDNKZMOZLGAC-UHFFFAOYSA-N 2 0 363.933 3.168 20 0 FGADRP CCC(CC)(C[NH3+])C(=O)NC[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000566250859 505123331 /nfs/dbraw/zinc/12/33/31/505123331.db2.gz FLVILTNWUGKQSL-YOEHRIQHSA-N 2 0 369.912 3.353 20 0 FGADRP CN(CCC[NH+]1CCN(C)CC1)Cc1cc(F)c(C(F)(F)F)cc1F ZINC000554241389 505124330 /nfs/dbraw/zinc/12/43/30/505124330.db2.gz JMEBHTUMCDLPFS-UHFFFAOYSA-N 2 0 365.390 3.053 20 0 FGADRP C[C@H]1C[C@H](C[NH3+])CN1C(=O)Nc1cccc(CC[NH+]2CCC(C)CC2)c1 ZINC000563478635 505150794 /nfs/dbraw/zinc/15/07/94/505150794.db2.gz FVJCZIHPRSVEKP-PKOBYXMFSA-N 2 0 358.530 3.162 20 0 FGADRP O=C(NC[C@H]1CCC[N@@H+]1C1CCCCC1)Nc1ccc2c(c1)C[NH2+]CCO2 ZINC000563507190 505161114 /nfs/dbraw/zinc/16/11/14/505161114.db2.gz LJJZYONDPPWOEC-LJQANCHMSA-N 2 0 372.513 3.087 20 0 FGADRP CCC[N@@H+]1CCC[C@H]1CNC(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000554450064 505176346 /nfs/dbraw/zinc/17/63/46/505176346.db2.gz JOSIMXVIDVMLOJ-IRXDYDNUSA-N 2 0 364.559 3.059 20 0 FGADRP CCCN(CC[NH+]1CCCCC1)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000554464623 505180313 /nfs/dbraw/zinc/18/03/13/505180313.db2.gz NUCBJKOHLWQAOL-NRFANRHFSA-N 2 0 372.557 3.168 20 0 FGADRP C[C@@H](NC(=O)NCC1([NH+](C)C)CCCCC1)[C@H](c1ccccc1)[NH+](C)C ZINC000554478587 505183103 /nfs/dbraw/zinc/18/31/03/505183103.db2.gz MGLKVFJSRQZGTA-IEBWSBKVSA-N 2 0 360.546 3.242 20 0 FGADRP CC[C@H](C(=O)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1)[NH+](CC)CC ZINC000557641496 505190813 /nfs/dbraw/zinc/19/08/13/505190813.db2.gz TYUZBFXQRLALAN-IRLDBZIGSA-N 2 0 357.542 3.231 20 0 FGADRP CC(C)[NH+]1CCN(CCC[NH+]2CCC(OCC3CCCCC3)CC2)CC1 ZINC000554544977 505202450 /nfs/dbraw/zinc/20/24/50/505202450.db2.gz YVDQPTRRNDJRSL-UHFFFAOYSA-N 2 0 365.606 3.464 20 0 FGADRP C[C@@H]1C[N@@H+](CCC2CC[NH+](Cc3ccc4c(c3)C[NH2+]CC4)CC2)C[C@H](C)O1 ZINC000563725963 505222657 /nfs/dbraw/zinc/22/26/57/505222657.db2.gz XFAJOTCNVWONDU-KDURUIRLSA-N 3 0 371.569 3.044 20 0 FGADRP CC1(C)[C@H]([NH2+]C2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)C[C@H]1Oc1ccccc1 ZINC000551533760 505245716 /nfs/dbraw/zinc/24/57/16/505245716.db2.gz PGELDWJDSYKBNG-XRXFAXGQSA-N 2 0 358.526 3.200 20 0 FGADRP CC1(C)[C@H]([NH2+]C2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)C[C@@H]1Oc1ccccc1 ZINC000551533758 505246267 /nfs/dbraw/zinc/24/62/67/505246267.db2.gz PGELDWJDSYKBNG-NCYKPQTJSA-N 2 0 358.526 3.200 20 0 FGADRP OC[C@H]1CCC[N@@H+]1CCCC[NH2+]Cc1c(F)cccc1OC(F)(F)F ZINC000551536425 505246538 /nfs/dbraw/zinc/24/65/38/505246538.db2.gz NKZKQJVZPOXHLU-CYBMUJFWSA-N 2 0 364.383 3.051 20 0 FGADRP C[C@H]([NH3+])[C@H]1CCN(C(=O)NCc2ccccc2C[N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000566727236 505256951 /nfs/dbraw/zinc/25/69/51/505256951.db2.gz DCSWLSWQYNSEKT-DMUMMCEESA-N 2 0 372.557 3.043 20 0 FGADRP CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000566855172 505292294 /nfs/dbraw/zinc/29/22/94/505292294.db2.gz VKPRDYRVYLMEMI-NHCUHLMSSA-N 2 0 369.553 3.135 20 0 FGADRP C[NH+](C)Cc1cccc(C[NH2+]C[C@H](O)COc2cccc3ccccc32)c1 ZINC000563989780 505296963 /nfs/dbraw/zinc/29/69/63/505296963.db2.gz LZHXMKMMULGPHI-NRFANRHFSA-N 2 0 364.489 3.431 20 0 FGADRP C[C@@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000566903001 505306891 /nfs/dbraw/zinc/30/68/91/505306891.db2.gz YZILWPXPXNCLBT-AFAVFJNCSA-N 2 0 369.431 3.400 20 0 FGADRP C[NH+](C)C[C@@H](N[C@H]1CC[N@H+](CCc2ccccc2)C1)c1ccc(F)cc1 ZINC000558252368 505345339 /nfs/dbraw/zinc/34/53/39/505345339.db2.gz LCGVDDOCYLVFNR-FCHUYYIVSA-N 2 0 355.501 3.335 20 0 FGADRP COc1cccc([C@@H]2[C@@H](NCC[C@H]3CCCC[NH+]3C)CC[N@@H+]2C2CC2)c1 ZINC000555125133 505356714 /nfs/dbraw/zinc/35/67/14/505356714.db2.gz DGLJJZVSWQNYSU-BVYCBKJFSA-N 2 0 357.542 3.437 20 0 FGADRP C[C@H]1[C@@H](NC(=O)NCCC[NH+]2CCCC[C@H]2C)CC[N@@H+]1Cc1ccccc1 ZINC000558380407 505371700 /nfs/dbraw/zinc/37/17/00/505371700.db2.gz QELISQYWVSDDEB-DYXWJJEUSA-N 2 0 372.557 3.213 20 0 FGADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)c2ccccc21 ZINC000555233733 505386048 /nfs/dbraw/zinc/38/60/48/505386048.db2.gz FJWLWMPBTRPNLH-WMQCIHAUSA-N 2 0 374.525 3.259 20 0 FGADRP O=C(Nc1ccc2c(c1)C[NH2+]CC2)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000567244290 505405945 /nfs/dbraw/zinc/40/59/45/505405945.db2.gz AKZIJPQWGRDHLP-UHFFFAOYSA-N 2 0 364.493 3.118 20 0 FGADRP CCOc1ccc(C[NH2+]CC2(SC)CC[NH+](C)CC2)cc1OCC ZINC000564420332 505414783 /nfs/dbraw/zinc/41/47/83/505414783.db2.gz YVHHREKQBRKXFN-UHFFFAOYSA-N 2 0 352.544 3.401 20 0 FGADRP CC(C)COC[C@H](O)C[NH2+][C@@H]1CCCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000552250875 505441749 /nfs/dbraw/zinc/44/17/49/505441749.db2.gz DHWGHFHNDAPSNQ-SSGKUCQKSA-N 2 0 374.569 3.300 20 0 FGADRP Cc1cc(CNC(=O)NC[C@H](C)[N@@H+]2CCCC[C@H]2C)cc(N2CCCC2)n1 ZINC000564583340 505461148 /nfs/dbraw/zinc/46/11/48/505461148.db2.gz NFQSCJVLLWWDBM-MSOLQXFVSA-N 2 0 373.545 3.052 20 0 FGADRP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]C[C@H](CO)Cc2ccco2)CC1 ZINC000567453377 505468455 /nfs/dbraw/zinc/46/84/55/505468455.db2.gz TYTDBGIYZJCCCM-AZUAARDMSA-N 2 0 356.510 3.116 20 0 FGADRP C[C@@H]1CN(C(=O)NCc2ccccc2C[N@@H+]2CCCC[C@@H]2C)C[C@@]1(C)C[NH3+] ZINC000567453900 505468505 /nfs/dbraw/zinc/46/85/05/505468505.db2.gz XCGHCSWSSPLPLQ-KGVIQGDOSA-N 2 0 372.557 3.187 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1)c1cccc(OC)c1 ZINC000561945711 505474397 /nfs/dbraw/zinc/47/43/97/505474397.db2.gz FVKSNGQXPMECBG-NASSWSRMSA-N 2 0 373.541 3.115 20 0 FGADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(N2CCc3ccccc3C2)nc1 ZINC000567647088 505523215 /nfs/dbraw/zinc/52/32/15/505523215.db2.gz SSSVVMLPLMQVRG-PZJWPPBQSA-N 2 0 350.510 3.251 20 0 FGADRP Cc1c(F)cccc1NC(=O)CC[NH2+]Cc1ccc(C[NH+](C)C)c(F)c1 ZINC000567686344 505537007 /nfs/dbraw/zinc/53/70/07/505537007.db2.gz BOTFAOUDNYWVSL-UHFFFAOYSA-N 2 0 361.436 3.453 20 0 FGADRP C[C@H]([NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1)[C@@H]1C[C@H]1c1ccccc1 ZINC000558972884 505542321 /nfs/dbraw/zinc/54/23/21/505542321.db2.gz VNZWUMADKDGDGU-YYWHXJBOSA-N 2 0 371.569 3.395 20 0 FGADRP C[C@@H](C(=O)NCc1ccc(OC2CC[NH+](C)CC2)cc1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000552780150 505553415 /nfs/dbraw/zinc/55/34/15/505553415.db2.gz ZNXTYTOLHDZOGX-KSZLIROESA-N 2 0 373.541 3.037 20 0 FGADRP CCN1CC[C@@H]([NH2+]Cc2cnc(C)n2C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000567753949 505557177 /nfs/dbraw/zinc/55/71/77/505557177.db2.gz MJEFRDTWSMACHZ-QZTJIDSGSA-N 2 0 350.869 3.446 20 0 FGADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NCCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000564922855 505558600 /nfs/dbraw/zinc/55/86/00/505558600.db2.gz HGUABISORPOYBM-VXKWHMMOSA-N 2 0 371.569 3.226 20 0 FGADRP C[C@H](CC(=O)N[C@@H]1CCN(C)[C@@H]1c1ccc(Cl)cc1)C1CC[NH2+]CC1 ZINC000564935238 505561021 /nfs/dbraw/zinc/56/10/21/505561021.db2.gz SQRHEKGSKYCDOO-LXGCGDOSSA-N 2 0 363.933 3.227 20 0 FGADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)CC[C@@H]([NH3+])c2ccccc2)C1 ZINC000567772994 505561925 /nfs/dbraw/zinc/56/19/25/505561925.db2.gz RGBWUYZUKGVVQT-JRGCBEDISA-N 2 0 351.494 3.418 20 0 FGADRP CC[NH+](CC)Cc1ccc(C(=O)N2CC[C@H]([N@H+](C)Cc3ccccc3)C2)o1 ZINC000608165926 506446685 /nfs/dbraw/zinc/44/66/85/506446685.db2.gz SSYRWJCQZBBJGR-IBGZPJMESA-N 2 0 369.509 3.468 20 0 FGADRP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1cc(-n2ccnc2)ncn1 ZINC000608368777 506531928 /nfs/dbraw/zinc/53/19/28/506531928.db2.gz UBNIXZQAPSIDFU-LJQANCHMSA-N 2 0 362.481 3.011 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N1CCC([NH+]2CCCCC2)CC1)CC(C)C ZINC000612337690 506533497 /nfs/dbraw/zinc/53/34/97/506533497.db2.gz WBQMSWCYRYNOSZ-FQEVSTJZSA-N 2 0 366.594 3.403 20 0 FGADRP CCC[NH+]1CCC(NC(=O)NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000593353286 506567313 /nfs/dbraw/zinc/56/73/13/506567313.db2.gz STKDGGOGQFBDIP-FQEVSTJZSA-N 2 0 372.557 3.072 20 0 FGADRP CC(CN(C)CC[C@@H]1CCCC[N@@H+]1C)C[NH+](C)CC[C@@H]1CCCC[NH+]1C ZINC000608565691 506610824 /nfs/dbraw/zinc/61/08/24/506610824.db2.gz KSUCPGYAFFPFTL-VXKWHMMOSA-N 3 0 366.638 3.235 20 0 FGADRP CC(C)(C(=O)Nc1nc(C2CC[NH2+]CC2)cs1)[C@H]([NH3+])c1ccccc1 ZINC000583193466 506643078 /nfs/dbraw/zinc/64/30/78/506643078.db2.gz IVEBSNGGUHISPW-MRXNPFEDSA-N 2 0 358.511 3.275 20 0 FGADRP CC[NH+](CC)[C@@H]1CCN(C(=O)N[C@@H](C[NH+]2CCCCC2)c2ccccc2)C1 ZINC000608685392 506666137 /nfs/dbraw/zinc/66/61/37/506666137.db2.gz PYQHTRLXMWDFKU-RTWAWAEBSA-N 2 0 372.557 3.339 20 0 FGADRP CC[NH+](CC)CCOc1ccc(CNC(=O)[C@H]([NH3+])c2ccccc2C)cc1 ZINC000583260612 506682868 /nfs/dbraw/zinc/68/28/68/506682868.db2.gz HKRBWMUBEJJKED-OAQYLSRUSA-N 2 0 369.509 3.032 20 0 FGADRP COCCCn1nccc1C[N@@H+]1CCCC[C@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000583321794 506716813 /nfs/dbraw/zinc/71/68/13/506716813.db2.gz FEPXZWFGYOACBE-UNMCSNQZSA-N 2 0 370.541 3.092 20 0 FGADRP CC(C)(C)OC(=O)C[C@@H]1CCCN(Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000597031184 506740393 /nfs/dbraw/zinc/74/03/93/506740393.db2.gz WHCNNISLVQTYSS-INIZCTEOSA-N 2 0 356.470 3.211 20 0 FGADRP C[NH+](C)CC1CC[NH+](C[C@H](O)COc2cc(Cl)ccc2Cl)CC1 ZINC000590125586 506743697 /nfs/dbraw/zinc/74/36/97/506743697.db2.gz ASFPDUYKJZOYMV-HNNXBMFYSA-N 2 0 361.313 3.007 20 0 FGADRP COc1cc(Br)c(C[NH+]2CCC(C[NH+](C)C)CC2)cc1OC ZINC000590125805 506744021 /nfs/dbraw/zinc/74/40/21/506744021.db2.gz NDINTIPXFWVCPL-UHFFFAOYSA-N 2 0 371.319 3.240 20 0 FGADRP C[NH+](C)CC1CC[NH+](C[C@@H](O)Cn2c3ccccc3c3ccccc32)CC1 ZINC000590125973 506744281 /nfs/dbraw/zinc/74/42/81/506744281.db2.gz ZTZJMDURFNLBJQ-LJQANCHMSA-N 2 0 365.521 3.429 20 0 FGADRP CN(C(=O)N[C@@H](C[NH+]1CCCCC1)c1ccccc1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000604201707 506748072 /nfs/dbraw/zinc/74/80/72/506748072.db2.gz GYKGJFXZJVCLIK-RTWAWAEBSA-N 2 0 370.541 3.092 20 0 FGADRP CC(C)[N@@H+]1CC[C@@H](CNC(=O)NCC[NH+]2CCC3(CCCCC3)CC2)C1 ZINC000583419957 506768950 /nfs/dbraw/zinc/76/89/50/506768950.db2.gz KQJCCMFZEUELCK-IBGZPJMESA-N 2 0 364.578 3.062 20 0 FGADRP O=C(NCC[NH+]1CCC2(CCCCC2)CC1)Nc1ccc2c(c1)C[NH2+]C2 ZINC000583488523 506806454 /nfs/dbraw/zinc/80/64/54/506806454.db2.gz ZVUCRTOHGJHNEX-UHFFFAOYSA-N 2 0 356.514 3.458 20 0 FGADRP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000613130046 506931496 /nfs/dbraw/zinc/93/14/96/506931496.db2.gz YVIWKPKDDQUGJH-NQIIRXRSSA-N 2 0 357.542 3.055 20 0 FGADRP C[NH+](C)CC[C@@H](NC(=O)NCCC[N@@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000604776362 506939514 /nfs/dbraw/zinc/93/95/14/506939514.db2.gz HEZUZPLJGQVREH-HXUWFJFHSA-N 2 0 374.573 3.100 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)C1 ZINC000604780681 506940681 /nfs/dbraw/zinc/94/06/81/506940681.db2.gz XAGDKDOYUUCYGX-CEXWTWQISA-N 2 0 368.610 3.410 20 0 FGADRP CC(C)[NH2+][C@H]1CCCN(C(=O)NC2CC[NH+]([C@H](C)c3ccccc3)CC2)C1 ZINC000604822488 506957147 /nfs/dbraw/zinc/95/71/47/506957147.db2.gz KBHPIBMNAHMGKQ-NQIIRXRSSA-N 2 0 372.557 3.384 20 0 FGADRP CCN(C(=O)NC[C@@H]1CCC[C@H]([NH3+])C1)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000583802317 506982968 /nfs/dbraw/zinc/98/29/68/506982968.db2.gz QKSKCKBTBVCRDT-IZZBFERCSA-N 2 0 372.557 3.371 20 0 FGADRP C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000583806714 506983727 /nfs/dbraw/zinc/98/37/27/506983727.db2.gz SRXOHNZLHDHGCM-LXTVHRRPSA-N 2 0 369.431 3.400 20 0 FGADRP Cc1cc2ncn(C[C@H](O)C[NH2+]CCCCC[NH+]3CCCCC3)c2cc1C ZINC000583867270 507019350 /nfs/dbraw/zinc/01/93/50/507019350.db2.gz XWXHMPDJPQOPNV-HXUWFJFHSA-N 2 0 372.557 3.260 20 0 FGADRP CCC(CC)[C@@H](CNC(=O)N1CC[C@@H]([NH+]2CCCCC2)C1)[NH+]1CCCC1 ZINC000594286665 507063221 /nfs/dbraw/zinc/06/32/21/507063221.db2.gz VWZZEQYXVRXDCQ-WOJBJXKFSA-N 2 0 364.578 3.157 20 0 FGADRP CC(C)OC(=O)C[C@@H]1CCC[N@H+](Cc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000613540315 507139757 /nfs/dbraw/zinc/13/97/57/507139757.db2.gz UATSBQPHOWREQE-IBGZPJMESA-N 2 0 362.514 3.181 20 0 FGADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCC[NH+](Cc2ccccc2C)CC1 ZINC000600894800 507163870 /nfs/dbraw/zinc/16/38/70/507163870.db2.gz VKXLNHTZAPCMRQ-OAQYLSRUSA-N 2 0 372.557 3.087 20 0 FGADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000600894579 507164248 /nfs/dbraw/zinc/16/42/48/507164248.db2.gz DLKZOSBYTNXUGK-NRFANRHFSA-N 2 0 372.557 3.346 20 0 FGADRP C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000605404502 507180696 /nfs/dbraw/zinc/18/06/96/507180696.db2.gz MHSZARCCBZKAER-DLBZAZTESA-N 2 0 352.482 3.097 20 0 FGADRP c1ccc2c(c1)O[C@@]1(CC[NH2+]C1)C[C@H]2[NH2+]Cc1ccc2c(c1)OCCCO2 ZINC000584166920 507190770 /nfs/dbraw/zinc/19/07/70/507190770.db2.gz QWOLEDGBKRNLIM-GCJKJVERSA-N 2 0 366.461 3.193 20 0 FGADRP CC[C@H](CNC(=O)Nc1ccc2c(c1)C[NH2+]C2)[N@@H+]1CCc2ccccc2C1 ZINC000584220337 507220642 /nfs/dbraw/zinc/22/06/42/507220642.db2.gz IFTLSERVGCQJRI-OAQYLSRUSA-N 2 0 364.493 3.248 20 0 FGADRP CN1CC[C@H]([NH2+]Cc2ccc3c(c2)C[NH2+]CC3)[C@@H]1c1ccc(F)c(F)c1 ZINC000584296706 507265107 /nfs/dbraw/zinc/26/51/07/507265107.db2.gz FCZNTALALWUZDU-SFTDATJTSA-N 2 0 357.448 3.146 20 0 FGADRP C[C@@H](CNC(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1)[NH+](C)C1CC1 ZINC000591554637 507289256 /nfs/dbraw/zinc/28/92/56/507289256.db2.gz CEWHMVDOZJBDNI-MSOLQXFVSA-N 2 0 372.557 3.200 20 0 FGADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)N2CCC[C@@H]2C[NH+]2CCCC2)C1 ZINC000591572873 507297727 /nfs/dbraw/zinc/29/77/27/507297727.db2.gz RCTRWABUPBKSKK-HMXCVIKNSA-N 2 0 370.541 3.092 20 0 FGADRP C[C@H]([NH2+]C(C)(C)CNC(=O)c1ccc(C[NH+](C)C)nc1)c1ccccc1 ZINC000584364236 507304462 /nfs/dbraw/zinc/30/44/62/507304462.db2.gz VALSYOUYKULYOF-INIZCTEOSA-N 2 0 354.498 3.002 20 0 FGADRP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N[C@H](C)C[NH+]2CCCCC2)C1 ZINC000601243437 507309411 /nfs/dbraw/zinc/30/94/11/507309411.db2.gz MCKCQQMBSZEVLV-MSOLQXFVSA-N 2 0 352.567 3.061 20 0 FGADRP CC(C)(CNC(=O)[C@@H](C[NH+]1CCCC1)c1ccccc1)C[NH+]1CCCC1 ZINC000613948774 507314216 /nfs/dbraw/zinc/31/42/16/507314216.db2.gz DCALTOKRHSOHLC-FQEVSTJZSA-N 2 0 357.542 3.104 20 0 FGADRP Cc1ccc([C@H](CNC(=O)N(C)[C@H]2CC[N@@H+](C3CC3)C2)[NH+]2CCCC2)cc1 ZINC000601290286 507324662 /nfs/dbraw/zinc/32/46/62/507324662.db2.gz KASFSTFWBPGHOX-SFTDATJTSA-N 2 0 370.541 3.010 20 0 FGADRP CCC(C)(C)[NH2+][C@H](C)C(=O)NC[C@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000584415540 507332778 /nfs/dbraw/zinc/33/27/78/507332778.db2.gz MYGFCRKKKCZFTM-GDBMZVCRSA-N 2 0 353.938 3.268 20 0 FGADRP C[C@@H]([NH2+][C@@H](C)CSCCF)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000595009770 507352548 /nfs/dbraw/zinc/35/25/48/507352548.db2.gz DOGIACIAALZIAF-LSDHHAIUSA-N 2 0 357.514 3.319 20 0 FGADRP CC1CC[NH+](CCc2cccc(NC(=O)N[C@@H]3C[NH2+]CC[C@H]3C)c2)CC1 ZINC000584457936 507356465 /nfs/dbraw/zinc/35/64/65/507356465.db2.gz XGFBNONXEWBPII-YLJYHZDGSA-N 2 0 358.530 3.081 20 0 FGADRP CCC[NH2+][C@@H](C)C(=O)NC[C@H](c1ccccc1)N1CCc2sccc2C1 ZINC000584526689 507394519 /nfs/dbraw/zinc/39/45/19/507394519.db2.gz DHOBCZCGQVTPLJ-QFBILLFUSA-N 2 0 371.550 3.352 20 0 FGADRP CC1CC[NH+](Cc2ccccc2CNC(=O)C[C@H]2CCCC[C@@H]2[NH3+])CC1 ZINC000584528136 507395645 /nfs/dbraw/zinc/39/56/45/507395645.db2.gz BXKVUPLQIJIFNZ-NQIIRXRSSA-N 2 0 357.542 3.442 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(C[NH2+]C[C@@H]3CNc4ccnn4C3)cc2)C1 ZINC000595139033 507405622 /nfs/dbraw/zinc/40/56/22/507405622.db2.gz GLOISDLKLQSZQF-LVCYWYKZSA-N 2 0 367.541 3.193 20 0 FGADRP CCc1ccc([C@@H](C)NC(=O)CN2CCC[C@@H]([NH+]3CCCC3)CC2)cc1 ZINC000606447827 507408807 /nfs/dbraw/zinc/40/88/07/507408807.db2.gz ZLDGNNSAUNGIEC-WIYYLYMNSA-N 2 0 357.542 3.377 20 0 FGADRP CC[NH+]1CCN([C@H]2CC[N@H+](CCSc3cccc(Cl)c3)C2)CC1 ZINC000595314640 507457832 /nfs/dbraw/zinc/45/78/32/507457832.db2.gz VEMCQQUSVRWFQE-KRWDZBQOSA-N 2 0 353.963 3.144 20 0 FGADRP CC[NH+]1CCN([C@@H]2CC[N@H+](CCSc3cccc(Cl)c3)C2)CC1 ZINC000595314641 507458288 /nfs/dbraw/zinc/45/82/88/507458288.db2.gz VEMCQQUSVRWFQE-QGZVFWFLSA-N 2 0 353.963 3.144 20 0 FGADRP CCCC[NH+]1CCC(NC(=O)N(CC[NH+](C)C)CC2CCCCC2)CC1 ZINC000606663433 507473152 /nfs/dbraw/zinc/47/31/52/507473152.db2.gz WYUODQBQWFUWDX-UHFFFAOYSA-N 2 0 366.594 3.404 20 0 FGADRP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)N[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000606690473 507483369 /nfs/dbraw/zinc/48/33/69/507483369.db2.gz AGGKCXBKGCXQRN-LEWJYISDSA-N 2 0 372.557 3.195 20 0 FGADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)C2CC[NH+](Cc3ccccc3)CC2)C[C@@H]1C ZINC000607125424 507623443 /nfs/dbraw/zinc/62/34/43/507623443.db2.gz PMDXCFWVUACQKA-GHTZIAJQSA-N 2 0 357.542 3.230 20 0 FGADRP COC(=O)COc1c(C)cc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cc1C ZINC000592433661 507655952 /nfs/dbraw/zinc/65/59/52/507655952.db2.gz OFTNTHRUZKCPDQ-PMACEKPBSA-N 2 0 374.525 3.067 20 0 FGADRP C[C@H](C(=O)NC[C@H]1CCC[NH+](Cc2ccccc2)C1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000586756132 507660359 /nfs/dbraw/zinc/66/03/59/507660359.db2.gz CADLQFNUWSLPFT-RCLSDMTESA-N 2 0 357.542 3.276 20 0 FGADRP COC(=O)C(C)(C)[C@H]1CCC[N@H+](Cc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000611532293 507725153 /nfs/dbraw/zinc/72/51/53/507725153.db2.gz UNIGDSGWZHBDDK-SFHVURJKSA-N 2 0 362.514 3.038 20 0 FGADRP c1cc(OCC[NH+]2CCCC2)ccc1C[N@@H+]1CCOC[C@@H](C2CCC2)C1 ZINC000644842985 568181269 /nfs/dbraw/zinc/18/12/69/568181269.db2.gz HHFHTKHRYQKBFM-NRFANRHFSA-N 2 0 358.526 3.410 20 0 FGADRP c1ccc(C[N@@H+]2CCCO[C@H](CN[C@@H]3CCC[C@@H]3[C@H]3CCCC[NH2+]3)C2)cc1 ZINC000390870893 568396151 /nfs/dbraw/zinc/39/61/51/568396151.db2.gz OUGSNHQYRHYREB-SSGKUCQKSA-N 2 0 371.569 3.178 20 0 FGADRP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC000821614391 606133116 /nfs/dbraw/zinc/13/31/16/606133116.db2.gz DQJAGFIPUQOZAE-UHFFFAOYSA-N 2 0 364.497 3.115 20 0 FGADRP CC[NH+](CC)Cc1ccccc1C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC000821197851 606405789 /nfs/dbraw/zinc/40/57/89/606405789.db2.gz MPXMCKKGFZANDO-UHFFFAOYSA-N 2 0 356.499 3.060 20 0 FGADRP CC[N@H+](C)Cc1cccc(C[NH2+][C@@H](C)c2ccc(-c3nn[nH]n3)c(F)c2)c1 ZINC000825390478 609141556 /nfs/dbraw/zinc/14/15/56/609141556.db2.gz GQBIINNROFHCJC-AWEZNQCLSA-N 2 0 368.460 3.308 20 0 FGADRP CC[NH+]1CCN(Cc2ccc(C[NH2+][C@@H](C)c3cnc(C)s3)cc2)CC1 ZINC000090403144 700402691 /nfs/dbraw/zinc/40/26/91/700402691.db2.gz KXTUTQMHGSDMRJ-INIZCTEOSA-N 2 0 358.555 3.440 20 0 FGADRP CCC[NH+]1CCC([N@H+](C)CC2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000109788841 700536957 /nfs/dbraw/zinc/53/69/57/700536957.db2.gz QAHHIADWWCNNIJ-UHFFFAOYSA-N 2 0 353.551 3.440 20 0 FGADRP C[NH+](C)CCC1CC[NH+](C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000113500871 700573091 /nfs/dbraw/zinc/57/30/91/700573091.db2.gz JRKGHARSONHFNA-GOSISDBHSA-N 2 0 353.551 3.297 20 0 FGADRP COc1cc([C@@H](C)[NH2+]C[C@@H](C)N2CC[NH+](C)CC2)ccc1SC(F)F ZINC000127760365 700766086 /nfs/dbraw/zinc/76/60/86/700766086.db2.gz AGUVSARBWLWQFJ-ZIAGYGMSSA-N 2 0 373.513 3.296 20 0 FGADRP CCC[NH+]1CCC([NH2+]CC2CCN(Cc3csc(CC)n3)CC2)CC1 ZINC000161765354 705282279 /nfs/dbraw/zinc/28/22/79/705282279.db2.gz FTZZUJNDHUGUPC-UHFFFAOYSA-N 2 0 364.603 3.382 20 0 FGADRP CC1CC[NH+](CCCC[NH2+]C2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000177220661 705613581 /nfs/dbraw/zinc/61/35/81/705613581.db2.gz SCUNAHQJTLPYME-UHFFFAOYSA-N 2 0 353.551 3.488 20 0 FGADRP COc1ccc([C@@H](C)[NH2+][C@H](CCO)CSC)cc1C[NH+]1CCCCC1 ZINC000183011470 705873978 /nfs/dbraw/zinc/87/39/78/705873978.db2.gz HZCLOPQGKVIZDS-VQIMIIECSA-N 2 0 366.571 3.446 20 0 FGADRP CC[NH+](CC)Cc1cc([C@H](C)[NH2+]CC2(C)OCCCO2)ccc1OC ZINC000190666576 712819621 /nfs/dbraw/zinc/81/96/21/712819621.db2.gz ZSSKRCCCWCTYKU-INIZCTEOSA-N 2 0 350.503 3.341 20 0 FGADRP CC(C)[C@H](C[NH2+][C@@H]1CCSc2c(F)cccc21)N1CC[NH+](C)CC1 ZINC000194262355 713516429 /nfs/dbraw/zinc/51/64/29/713516429.db2.gz ZAJNOYFYCFAJTK-MSOLQXFVSA-N 2 0 351.535 3.224 20 0 FGADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)C[C@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000246581922 713626726 /nfs/dbraw/zinc/62/67/26/713626726.db2.gz SEWJCYSOFRLGNC-RCCFBDPRSA-N 2 0 353.551 3.486 20 0 FGADRP CN(CC[C@H]1CCCC[N@@H+]1C)C[C@@H](O)c1cccc(Br)c1 ZINC000247457531 713640944 /nfs/dbraw/zinc/64/09/44/713640944.db2.gz IAIHEOBLDRJSEE-IAGOWNOFSA-N 2 0 355.320 3.289 20 0 FGADRP CC(C)(C)OC(=O)NC[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)C1CCCC1 ZINC000249043075 713662872 /nfs/dbraw/zinc/66/28/72/713662872.db2.gz VGLOXKFBUGXBMZ-SQNIBIBYSA-N 2 0 351.535 3.286 20 0 FGADRP Brc1ccc(OCC[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)cc1 ZINC000252414398 713673002 /nfs/dbraw/zinc/67/30/02/713673002.db2.gz HKYJDQZDRODDLD-RHSMWYFYSA-N 2 0 353.304 3.292 20 0 FGADRP C[C@@H]([NH2+]C[C@@]1(C)CCCN(C(=O)OC(C)(C)C)C1)C1CC[NH+](C)CC1 ZINC000305588140 713793237 /nfs/dbraw/zinc/79/32/37/713793237.db2.gz CPBUOWZJVSDYMW-OXQOHEQNSA-N 2 0 353.551 3.344 20 0 FGADRP CC(C)(C)OC(=O)NC[C@@H]([NH2+]C1CCN(C2CC2)CC1)C1CCCC1 ZINC000310720099 713800509 /nfs/dbraw/zinc/80/05/09/713800509.db2.gz AADCKCSKKIAVGI-GOSISDBHSA-N 2 0 351.535 3.286 20 0 FGADRP CC(C)(C)OC(=O)NC[C@H]([NH2+]C1CCN(C2CC2)CC1)C1CCCC1 ZINC000310720100 713800526 /nfs/dbraw/zinc/80/05/26/713800526.db2.gz AADCKCSKKIAVGI-SFHVURJKSA-N 2 0 351.535 3.286 20 0 FGADRP CC(C)(C)OC(=O)N1CCC(C)(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000386011715 713984281 /nfs/dbraw/zinc/98/42/81/713984281.db2.gz UXVJQDIRSMEWHU-IRXDYDNUSA-N 2 0 351.535 3.240 20 0 FGADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]CCc1c[nH]c2ccc(Br)cc12 ZINC000423030130 714013884 /nfs/dbraw/zinc/01/38/84/714013884.db2.gz JDNDTEOXINITKY-LRDDRELGSA-N 2 0 350.304 3.451 20 0 FGADRP CC[NH+](CC)Cc1ccccc1C[NH2+]Cc1cccc(S(C)(=O)=O)c1 ZINC000449067653 714040060 /nfs/dbraw/zinc/04/00/60/714040060.db2.gz NGVGOGJDYULDLT-UHFFFAOYSA-N 2 0 360.523 3.222 20 0 FGADRP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCC(C)CC1)C1CCC(C(F)(F)F)CC1 ZINC000474729681 714083746 /nfs/dbraw/zinc/08/37/46/714083746.db2.gz PHHIXAZNOAORCZ-OTBWCIGPSA-N 2 0 350.469 3.426 20 0 FGADRP Cc1cccc(CC[NH2+]Cc2c(Cl)cccc2N2CC[NH+](C)CC2)n1 ZINC000478972314 714088906 /nfs/dbraw/zinc/08/89/06/714088906.db2.gz MYZCPBPDHIDXFW-UHFFFAOYSA-N 2 0 358.917 3.128 20 0 FGADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)NC[C@@H](C)C[NH+]1CCCCC1 ZINC000521786313 714148108 /nfs/dbraw/zinc/14/81/08/714148108.db2.gz ZHEMQPVXFNLWTH-RTBURBONSA-N 2 0 352.567 3.062 20 0 FGADRP CC[C@H](C)[N@H+](C)CCNC(=O)Nc1nc(CN2CCC[C@@H](C)C2)cs1 ZINC000522132824 714171646 /nfs/dbraw/zinc/17/16/46/714171646.db2.gz SRXWCFKYXMGQQZ-CABCVRRESA-N 2 0 367.563 3.227 20 0 FGADRP CSC1(C[NH2+][C@@H](C)c2cnn(Cc3ccccc3)c2)CC[NH+](C)CC1 ZINC000573530103 714451855 /nfs/dbraw/zinc/45/18/55/714451855.db2.gz RLRPELRKZSNSAH-KRWDZBQOSA-N 2 0 358.555 3.409 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)NC[C@H](C)C[NH+]1CCCC1)c1ccsc1 ZINC000616074327 714567096 /nfs/dbraw/zinc/56/70/96/714567096.db2.gz RYUYRJMFNNDUGK-FUHWJXTLSA-N 2 0 366.575 3.162 20 0 FGADRP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCN(c3ccccc3Br)C2)CC1(C)C ZINC000623414998 715331027 /nfs/dbraw/zinc/33/10/27/715331027.db2.gz WVPZCSFFYPKYOB-LSDHHAIUSA-N 2 0 366.347 3.490 20 0 FGADRP C[C@@H]1C[N@@H+](CCCC[NH2+]Cc2ccc(F)c(F)c2N(C)C)C[C@H](C)O1 ZINC000623425050 715334049 /nfs/dbraw/zinc/33/40/49/715334049.db2.gz OZMDCNLCNIXAEP-GASCZTMLSA-N 2 0 355.473 3.010 20 0 FGADRP Cc1ccc(Br)cc1[C@H](C)[NH2+][C@@H](C)CN1CC[NH+](C)CC1 ZINC000623889927 715425455 /nfs/dbraw/zinc/42/54/55/715425455.db2.gz ZOOAAWNMVVNHAW-GJZGRUSLSA-N 2 0 354.336 3.044 20 0 FGADRP C[C@H]1CC[C@@H](NC(=O)Nc2ccc(SCC[NH+]3CCCC3)cc2)C[NH2+]1 ZINC000625898924 715810622 /nfs/dbraw/zinc/81/06/22/715810622.db2.gz GBKGHHKVPVIVCB-DOTOQJQBSA-N 2 0 362.543 3.137 20 0 FGADRP C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@H]1CC[C@H](C[NH3+])CC1 ZINC000635003650 717139116 /nfs/dbraw/zinc/13/91/16/717139116.db2.gz AOTDQMOWIFYWDO-YDHLFZDLSA-N 2 0 368.319 3.273 20 0 FGADRP C[NH+](C)[C@H](CNC(=O)[C@@H]([NH3+])c1ccc(C(F)(F)F)cc1)c1cccs1 ZINC000638048174 717403577 /nfs/dbraw/zinc/40/35/77/717403577.db2.gz BMRRSONMSXSQNU-HIFRSBDPSA-N 2 0 371.428 3.186 20 0 FGADRP CO[C@H](C[NH2+]CC1CC[NH+](Cc2ccccc2Cl)CC1)[C@@H]1CCOC1 ZINC000638529832 717454720 /nfs/dbraw/zinc/45/47/20/717454720.db2.gz FLUMVLDTYSUQJI-UYAOXDASSA-N 2 0 366.933 3.193 20 0 FGADRP COc1nsc(C[NH2+]C(C)(C)CCC[NH+](C)C)c1Br ZINC000639231858 717534254 /nfs/dbraw/zinc/53/42/54/717534254.db2.gz UVMFYPLCYFYINR-UHFFFAOYSA-N 2 0 350.326 3.124 20 0 FGADRP O=C(CC[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)Nc1cccc(C(F)(F)F)c1 ZINC000644524197 718118507 /nfs/dbraw/zinc/11/85/07/718118507.db2.gz ZSHOCIRBABDEHA-GOEBONIOSA-N 2 0 355.404 3.250 20 0 FGADRP C[N@@H+]1CCC[C@H](CC[NH2+]CCC(=O)Nc2ccc(Br)cc2)C1 ZINC000644669102 718140163 /nfs/dbraw/zinc/14/01/63/718140163.db2.gz DEMNAMJQDAKEFY-CQSZACIVSA-N 2 0 368.319 3.099 20 0 FGADRP O=C(C[NH2+]C1(c2cccc(Cl)c2)CCC1)NC1CC[NH+](C2CC2)CC1 ZINC000646095325 718263013 /nfs/dbraw/zinc/26/30/13/718263013.db2.gz MMHRSSZGCCZIQG-UHFFFAOYSA-N 2 0 361.917 3.052 20 0 FGADRP Oc1ccc(Br)c(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC000647543707 718366627 /nfs/dbraw/zinc/36/66/27/718366627.db2.gz RFHQPAKKRPHWAQ-UONOGXRCSA-N 2 0 353.304 3.366 20 0 FGADRP Clc1ccc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c(-n2cncn2)c1 ZINC000647543632 718366634 /nfs/dbraw/zinc/36/66/34/718366634.db2.gz QMVCOPMOEIDWRD-JKSUJKDBSA-N 2 0 359.905 3.132 20 0 FGADRP O=C1[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CCN1c1ccc(Cl)c(Cl)c1 ZINC000647794419 718378008 /nfs/dbraw/zinc/37/80/08/718378008.db2.gz ZWXIHFAGJGWPCH-IPJQOSJUSA-N 2 0 368.308 3.076 20 0 FGADRP FC(F)Oc1ccc([C@@H]2C[N@H+](CCCC3CC[NH2+]CC3)CCO2)cc1 ZINC000647988536 718392910 /nfs/dbraw/zinc/39/29/10/718392910.db2.gz YVKYOAPVVDOZCB-SFHVURJKSA-N 2 0 354.441 3.441 20 0 FGADRP COc1ccc(Br)cc1C1([NH2+]CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000647995454 718393143 /nfs/dbraw/zinc/39/31/43/718393143.db2.gz ZZBFARWYLONXTQ-ZDUSSCGKSA-N 2 0 353.304 3.426 20 0 FGADRP C[C@@H]1[C@H](C(=O)NCC2CC[NH+](Cc3ccccc3Cl)CC2)CC[N@@H+]1C ZINC000648774346 718449630 /nfs/dbraw/zinc/44/96/30/718449630.db2.gz SWWRLJUIJZPTNQ-CRAIPNDOSA-N 2 0 363.933 3.008 20 0 FGADRP COC[C@H]1CCC[N@@H+]1Cc1ccc(F)c(C[NH+]2CCC[C@H]2COC)c1 ZINC000649339094 718505832 /nfs/dbraw/zinc/50/58/32/718505832.db2.gz MGZRYMHAAMENOV-MOPGFXCFSA-N 2 0 350.478 3.047 20 0 FGADRP C[NH+](C)CC(C)(C)NC(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000650414396 718673606 /nfs/dbraw/zinc/67/36/06/718673606.db2.gz FMFWAXLUHFDDCG-UHFFFAOYSA-N 2 0 364.559 3.336 20 0 FGADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@H+](Cc3ccc(OC(F)F)c(F)c3)C2)C1 ZINC000650707382 718717555 /nfs/dbraw/zinc/71/75/55/718717555.db2.gz DVZLFYOCROEYFY-VBQJREDUSA-N 2 0 358.404 3.145 20 0 FGADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@H+](Cc3ccc(F)cc3Br)C2)C1 ZINC000650707859 718717642 /nfs/dbraw/zinc/71/76/42/718717642.db2.gz OKPQTFAZLZKNJV-FRFSOERESA-N 2 0 371.294 3.307 20 0 FGADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2Cc2cccc(Br)c2)C1 ZINC000650722691 718720692 /nfs/dbraw/zinc/72/06/92/718720692.db2.gz ZXYGJHPDYBWEGZ-IKGGRYGDSA-N 2 0 353.304 3.310 20 0 FGADRP CC(C)C[N@H+](C)CCCNC(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000650951065 718748499 /nfs/dbraw/zinc/74/84/99/718748499.db2.gz HSEUJUPGOKVQDM-UHFFFAOYSA-N 2 0 352.567 3.061 20 0 FGADRP C[C@@H](C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)c1ccc(Cl)cc1 ZINC000651327571 718796824 /nfs/dbraw/zinc/79/68/24/718796824.db2.gz DDMQSAQXOBVGDD-MRXNPFEDSA-N 2 0 353.938 3.176 20 0 FGADRP CC[C@@H]([NH2+]CCC1CC[NH+](C)CC1)c1cc(OC)c(OC)c(OC)c1 ZINC000652149806 718917266 /nfs/dbraw/zinc/91/72/66/718917266.db2.gz BEUAQSYFRRGZQJ-QGZVFWFLSA-N 2 0 350.503 3.485 20 0 FGADRP CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+]CCC[N@H+](C)CC(C)C)cc1 ZINC000652222350 718923961 /nfs/dbraw/zinc/92/39/61/718923961.db2.gz LVYTZAXCEBJWFM-INIZCTEOSA-N 2 0 355.548 3.077 20 0 FGADRP CN(C(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1)[C@@H](C[NH3+])C1CC1 ZINC000652614382 718966802 /nfs/dbraw/zinc/96/68/02/718966802.db2.gz ZGCDTUTWUQJUPT-SFHVURJKSA-N 2 0 362.543 3.076 20 0 FGADRP C[N@H+](CCCN1CC[NH+](C)CC1)Cc1cccc(SC(F)(F)F)c1 ZINC000781338936 724554046 /nfs/dbraw/zinc/55/40/46/724554046.db2.gz YPAGEVUROCUPKW-UHFFFAOYSA-N 2 0 361.477 3.368 20 0 FGADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000655711819 719328599 /nfs/dbraw/zinc/32/85/99/719328599.db2.gz NFASYTMRWUHJMC-QUCCMNQESA-N 2 0 351.579 3.120 20 0 FGADRP C[C@@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655805103 719342167 /nfs/dbraw/zinc/34/21/67/719342167.db2.gz BWMBBWNSYLYVFF-QILLFSRXSA-N 2 0 351.922 3.007 20 0 FGADRP COCc1csc(C[NH2+]Cc2cccc(CN3CCO[C@@H](C)C3)c2)c1 ZINC000657329910 719626812 /nfs/dbraw/zinc/62/68/12/719626812.db2.gz PFXSXYGPVCVINL-INIZCTEOSA-N 2 0 360.523 3.405 20 0 FGADRP C[C@@H]1C[NH+](CCCC[NH2+]Cc2cccc(F)c2OC(F)F)C[C@@H](C)O1 ZINC000657366835 719634936 /nfs/dbraw/zinc/63/49/36/719634936.db2.gz KSBSNTHBQUSJBM-ZIAGYGMSSA-N 2 0 360.420 3.406 20 0 FGADRP Fc1ccc(/C=C/C[NH2+]CC2CC[NH+](C3CCOCC3)CC2)c(F)c1 ZINC000657537296 719668104 /nfs/dbraw/zinc/66/81/04/719668104.db2.gz GZMJNKWMRJEFQV-OWOJBTEDSA-N 2 0 350.453 3.459 20 0 FGADRP Cc1ccc(-c2nc(C[NH2+][C@@H](C)CN(C)CCC[NH+](C)C)cs2)cc1 ZINC000657574018 719677063 /nfs/dbraw/zinc/67/70/63/719677063.db2.gz SVYHATNRYCWAKH-KRWDZBQOSA-N 2 0 360.571 3.480 20 0 FGADRP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+]Cc1csc(-c2ccsc2)n1 ZINC000657574250 719677135 /nfs/dbraw/zinc/67/71/35/719677135.db2.gz UZTSOZLAHBHOJM-AWEZNQCLSA-N 2 0 352.573 3.233 20 0 FGADRP Cc1nc2c(s1)[C@H]([NH2+]Cc1ccc(C[N@@H+]3CC[C@@H](O)C3)cc1)CCC2 ZINC000658143679 719762352 /nfs/dbraw/zinc/76/23/52/719762352.db2.gz ZTFCLLVROFUOGQ-QZTJIDSGSA-N 2 0 357.523 3.185 20 0 FGADRP FC1(F)C[C@@H]1OCC[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000658166588 719765235 /nfs/dbraw/zinc/76/52/35/719765235.db2.gz BOGQNOIVJIIKDL-HCXYKTFWSA-N 2 0 350.453 3.301 20 0 FGADRP C[C@@H]([NH2+]CC1CC[NH+](CC2CC2)CC1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000658354926 719788676 /nfs/dbraw/zinc/78/86/76/719788676.db2.gz GIGIFDADLIJAHR-CQSZACIVSA-N 2 0 368.518 3.002 20 0 FGADRP CC(C)[C@H]([NH3+])CCNC(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000659024463 719851043 /nfs/dbraw/zinc/85/10/43/719851043.db2.gz DLTUDZJEPIRETM-GOSISDBHSA-N 2 0 364.559 3.369 20 0 FGADRP Fc1ccc(SCC[NH+]2CCC(C[NH+]3CCOCC3)CC2)c(F)c1 ZINC000659846343 719943541 /nfs/dbraw/zinc/94/35/41/719943541.db2.gz TZQMGASYDPFWGG-UHFFFAOYSA-N 2 0 356.482 3.101 20 0 FGADRP CC[C@@H](CC(F)F)C[NH+]1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000659943733 719961460 /nfs/dbraw/zinc/96/14/60/719961460.db2.gz XNMBRSHBJVNSLY-HNNXBMFYSA-N 2 0 361.521 3.084 20 0 FGADRP C[C@@H]1CN(CC[NH+]2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)C[C@H](C)O1 ZINC000660007125 719971035 /nfs/dbraw/zinc/97/10/35/719971035.db2.gz HFRZQOYEGWPHRA-SLFFLAALSA-N 2 0 351.579 3.072 20 0 FGADRP C[C@@H]1C[C@H]([NH+]2CCCC3(CCC[N@@H+]([C@@H]4CCO[C@H](C)C4)C3)C2)CCO1 ZINC000660565822 720075256 /nfs/dbraw/zinc/07/52/56/720075256.db2.gz HJMMFBXJUISHKC-CVNCVKFOSA-N 2 0 350.547 3.299 20 0 FGADRP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C[C@@H](O)Cc1ccc(C(F)(F)F)cc1)C2 ZINC000660656953 720093055 /nfs/dbraw/zinc/09/30/55/720093055.db2.gz CHMMIDRHWHQTQJ-ZWKOTPCHSA-N 2 0 356.432 3.027 20 0 FGADRP COc1ccc(NC(=O)CC[N@@H+]2CCC[C@]3(CC[NH+](C)C3)C2)cc1Cl ZINC000660659140 720093661 /nfs/dbraw/zinc/09/36/61/720093661.db2.gz KMDCGHVEVSZIEG-LJQANCHMSA-N 2 0 365.905 3.095 20 0 FGADRP CC[NH+]1CCN(CC(C)(C)[NH2+]CCSc2cccc(Cl)c2)CC1 ZINC000660754321 720113842 /nfs/dbraw/zinc/11/38/42/720113842.db2.gz PMVLMJSMCMWNJY-UHFFFAOYSA-N 2 0 355.979 3.438 20 0 FGADRP FC(F)(F)c1ccc(C2CC[NH+](C[C@H]3CCC4(C[NH2+]C4)O3)CC2)cc1 ZINC000662279079 720409085 /nfs/dbraw/zinc/40/90/85/720409085.db2.gz PQOYKQKUQQKRHA-QGZVFWFLSA-N 2 0 354.416 3.406 20 0 FGADRP CN(Cc1ccc(Cl)s1)C(=O)C[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662294601 720411109 /nfs/dbraw/zinc/41/11/09/720411109.db2.gz CPSAWXXLAKWKRA-OAHLLOKOSA-N 2 0 369.962 3.072 20 0 FGADRP O=C(CC[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1)NCc1ccccc1Cl ZINC000662296495 720411557 /nfs/dbraw/zinc/41/15/57/720411557.db2.gz LCNFNWXVVZKYAU-GOSISDBHSA-N 2 0 363.933 3.058 20 0 FGADRP CSc1cccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)c1 ZINC000662296749 720411613 /nfs/dbraw/zinc/41/16/13/720411613.db2.gz MZAGOSIEMHYJTM-NVXWUHKLSA-N 2 0 361.555 3.447 20 0 FGADRP C[C@H](C(=O)Nc1ccc(F)c(F)c1)[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662297464 720412086 /nfs/dbraw/zinc/41/20/86/720412086.db2.gz QFKNKRQGGGOXDX-UKRRQHHQSA-N 2 0 351.441 3.003 20 0 FGADRP C[NH+](C)[C@@H](CNC(=O)c1ccc2c(c1)[C@H](C[NH3+])CCC2)c1cccs1 ZINC000662347413 720417463 /nfs/dbraw/zinc/41/74/63/720417463.db2.gz FLFANFWHYCYJDT-WMZOPIPTSA-N 2 0 357.523 3.159 20 0 FGADRP CC1CC[NH+]([C@H](CNC(=O)C2([NH2+]C3CC3)CCC2)c2cccs2)CC1 ZINC000662663517 720450649 /nfs/dbraw/zinc/45/06/49/720450649.db2.gz NQSWHFMSNLOSSL-QGZVFWFLSA-N 2 0 361.555 3.312 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)c1cccc2c1CC[NH2+]C2)c1ccsc1 ZINC000662679428 720451984 /nfs/dbraw/zinc/45/19/84/720451984.db2.gz OOXJGLJWIOGNIF-IBGZPJMESA-N 2 0 357.523 3.207 20 0 FGADRP O[C@@H](C[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2)CC(F)(F)F ZINC000663368282 720506408 /nfs/dbraw/zinc/50/64/08/720506408.db2.gz CSEXLWSAMMVCAO-DLBZAZTESA-N 2 0 356.432 3.192 20 0 FGADRP CC(C)[N@H+]1[C@@H]2CCN(c3[nH+]ccc4[nH]ccc43)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164837872 720512397 /nfs/dbraw/zinc/51/23/97/720512397.db2.gz QGSDXOXBJZQIFI-FUHIMQAGSA-N 2 0 364.497 3.137 20 0 FGADRP CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000663452496 720516668 /nfs/dbraw/zinc/51/66/68/720516668.db2.gz ZKICJIRBHGCYOU-HOTGVXAUSA-N 2 0 364.559 3.057 20 0 FGADRP C[NH2+]CCCC(=O)N1CCC([NH2+][C@H]2C[C@H](C)Sc3sccc32)CC1 ZINC000665287268 720750237 /nfs/dbraw/zinc/75/02/37/720750237.db2.gz GUSCJBGRIUVIEL-BBRMVZONSA-N 2 0 367.584 3.254 20 0 FGADRP CCOc1cc(C[NH2+][C@H]2CCC[NH2+]CC2)cc(Br)c1OC ZINC000666855309 720991149 /nfs/dbraw/zinc/99/11/49/720991149.db2.gz LMIXBRDZYATIAX-ZDUSSCGKSA-N 2 0 357.292 3.088 20 0 FGADRP CSc1ccc([C@H](CNC(=O)Nc2cccc(C[NH3+])c2)[NH+](C)C)cc1 ZINC000667733577 721165581 /nfs/dbraw/zinc/16/55/81/721165581.db2.gz JMQRTKBANZCQPM-SFHVURJKSA-N 2 0 358.511 3.292 20 0 FGADRP Cc1c(Br)cncc1C[N@H+]1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000668169328 721249488 /nfs/dbraw/zinc/24/94/88/721249488.db2.gz OCKKMECASKMIOL-OAHLLOKOSA-N 2 0 352.320 3.316 20 0 FGADRP CCC[N@H+](C)[C@@H](CNC(=O)N[C@@H]1CCC[NH2+]CC1)c1ccc(Cl)cc1 ZINC000669583622 721468948 /nfs/dbraw/zinc/46/89/48/721468948.db2.gz LKESMJXGPIHAHE-MSOLQXFVSA-N 2 0 366.937 3.164 20 0 FGADRP Cc1[nH+]c(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)cc2[nH]ccc21 ZINC001164904653 721548939 /nfs/dbraw/zinc/54/89/39/721548939.db2.gz FWZLGJFUFCBRKZ-SJLPKXTDSA-N 2 0 366.440 3.352 20 0 FGADRP CCCC[N@H+](C)CC1CCN(C(=O)N[C@H](CC)C[NH+]2CCCC2)CC1 ZINC000675193387 721737227 /nfs/dbraw/zinc/73/72/27/721737227.db2.gz GXGOZEJAVNUGSY-LJQANCHMSA-N 2 0 352.567 3.014 20 0 FGADRP Cc1csc(CC[NH2+]Cc2ccccc2N(C)C2CC[NH+](C)CC2)n1 ZINC000675332678 721748571 /nfs/dbraw/zinc/74/85/71/721748571.db2.gz CGKLEKRXPDJJMD-UHFFFAOYSA-N 2 0 358.555 3.314 20 0 FGADRP Cc1c[nH+]c(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)cc1N ZINC001165022131 721821976 /nfs/dbraw/zinc/82/19/76/721821976.db2.gz GKOUHFOQEHMVJC-HQRMLTQVSA-N 2 0 351.498 3.104 20 0 FGADRP C[C@H](C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)Oc1ccc(Br)cc1 ZINC000677241518 721875592 /nfs/dbraw/zinc/87/55/92/721875592.db2.gz QCFPEJOLZDZMCP-BMFZPTHFSA-N 2 0 353.304 3.433 20 0 FGADRP CN1CC[C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000678607639 721967154 /nfs/dbraw/zinc/96/71/54/721967154.db2.gz NMCNPUBPQHXAJM-VVWQDTPRSA-N 2 0 351.897 3.441 20 0 FGADRP FC(F)O[C@@H]1CCC[N@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000679739314 722045908 /nfs/dbraw/zinc/04/59/08/722045908.db2.gz CTJSFQIBNSQHFH-GOSISDBHSA-N 2 0 354.441 3.365 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=S)Nc1ccc(C)cc1C ZINC000751010587 722790508 /nfs/dbraw/zinc/79/05/08/722790508.db2.gz ITILVLVGKVTKLX-SFHVURJKSA-N 2 0 362.587 3.348 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=S)Nc1cc(C)ccc1C ZINC000751010095 722790584 /nfs/dbraw/zinc/79/05/84/722790584.db2.gz HIICKXZYHIYGQT-SFHVURJKSA-N 2 0 362.587 3.348 20 0 FGADRP O[C@H](CN1CCC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1)C[NH+]1CCCC1 ZINC000753388218 722897004 /nfs/dbraw/zinc/89/70/04/722897004.db2.gz JVSORFZZJPMJHT-GOEBONIOSA-N 2 0 373.324 3.293 20 0 FGADRP C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000762640103 723266413 /nfs/dbraw/zinc/26/64/13/723266413.db2.gz DWJLPHPKBMBPKV-YJBOKZPZSA-N 2 0 351.535 3.096 20 0 FGADRP C[C@H](C[NH2+]CCCN1CCC[N@H+](C)CC1)c1cccc(Br)c1 ZINC000767353721 723615825 /nfs/dbraw/zinc/61/58/25/723615825.db2.gz YIHFVPCHUAUCAI-MRXNPFEDSA-N 2 0 368.363 3.170 20 0 FGADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H](C)c2cc(C)c(OC)c(Cl)c2)CC1 ZINC000796691857 723650317 /nfs/dbraw/zinc/65/03/17/723650317.db2.gz FVDIKHWEQZCPIC-HZPDHXFCSA-N 2 0 353.938 3.334 20 0 FGADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H](C)c2cc(C)c(OC)c(Cl)c2)CC1 ZINC000796691856 723650392 /nfs/dbraw/zinc/65/03/92/723650392.db2.gz FVDIKHWEQZCPIC-HOTGVXAUSA-N 2 0 353.938 3.334 20 0 FGADRP C[NH+](C)CCC1CC[NH+](Cc2ccccc2I)CC1 ZINC000768998928 723674093 /nfs/dbraw/zinc/67/40/93/723674093.db2.gz QFTWYPATKACVCB-UHFFFAOYSA-N 2 0 372.294 3.455 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CNC(=S)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000769556339 723689754 /nfs/dbraw/zinc/68/97/54/723689754.db2.gz ZLLJIFZWOVAPDP-LJQANCHMSA-N 2 0 360.571 3.096 20 0 FGADRP Cc1ncc(CC[NH2+]Cc2c(Cl)cccc2N2CC[NH+](C)CC2)s1 ZINC000770739387 723720340 /nfs/dbraw/zinc/72/03/40/723720340.db2.gz ALTKPLWIAWCUOD-UHFFFAOYSA-N 2 0 364.946 3.189 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[C@@H]3SCCS[C@@H]23)[C@@H](C)C1 ZINC000773133641 723777359 /nfs/dbraw/zinc/77/73/59/723777359.db2.gz HLLYHHNYLKGNAY-JCECYMMASA-N 2 0 358.617 3.093 20 0 FGADRP C[N@H+](CC[C@H]1CCCN(C(=O)OC(C)(C)C)C1)C[C@@H]1CCC[NH+](C)C1 ZINC000801922287 724346620 /nfs/dbraw/zinc/34/66/20/724346620.db2.gz HKJSMQFHWXHTED-QZTJIDSGSA-N 2 0 353.551 3.297 20 0 FGADRP CC(C)(C)OC(=O)N[C@@H]1CCCCC[C@H]1[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000788243139 725052219 /nfs/dbraw/zinc/05/22/19/725052219.db2.gz IYDVWTBEDWEQCU-CGTJXYLNSA-N 2 0 351.535 3.286 20 0 FGADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000805794393 725096446 /nfs/dbraw/zinc/09/64/46/725096446.db2.gz UEWSDMPFEOMXLH-FXAWDEMLSA-N 2 0 351.535 3.194 20 0 FGADRP C[C@@H]1C[N@@H+]([C@@H]2CC[NH+]3CCC[C@H]3C2)C[C@@]1(C)CNC(=O)OC(C)(C)C ZINC000810247729 725299667 /nfs/dbraw/zinc/29/96/67/725299667.db2.gz WKYCIAAFVXMNNO-AXVVYFOYSA-N 2 0 351.535 3.096 20 0 FGADRP CC(C)C[C@H](C[NH2+]C1CC[NH+](CC2CC2)CC1)NC(=O)OC(C)(C)C ZINC000811474530 725368130 /nfs/dbraw/zinc/36/81/30/725368130.db2.gz KSWLQIUPVTVAGB-GOSISDBHSA-N 2 0 353.551 3.390 20 0 FGADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC2(CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000814645087 726989459 /nfs/dbraw/zinc/98/94/59/726989459.db2.gz OIGNEVMUBUVXSR-QGZVFWFLSA-N 2 0 351.535 3.194 20 0 FGADRP C[N@@H+]1CCC[C@]2(CC[NH+](CC3CCN(C(=O)OC(C)(C)C)CC3)C2)C1 ZINC000815143574 727044298 /nfs/dbraw/zinc/04/42/98/727044298.db2.gz AUYCPEKSEAPRCH-FQEVSTJZSA-N 2 0 351.535 3.051 20 0 FGADRP C[C@@H]1C[C@H](C)[N@H+](CC[C@@H]2CCC[NH+]2C)C[C@H]1CNC(=O)OC(C)(C)C ZINC000817290479 727236673 /nfs/dbraw/zinc/23/66/73/727236673.db2.gz DBAKYKORICLISL-XDNAFOTISA-N 2 0 353.551 3.342 20 0 FGADRP C[C@H]1CC[C@H]([NH2+]C2CC[NH+](CC3CC3)CC2)CN1C(=O)OC(C)(C)C ZINC000822451876 729176418 /nfs/dbraw/zinc/17/64/18/729176418.db2.gz RHZUYCRGODZUTL-YJBOKZPZSA-N 2 0 351.535 3.238 20 0 FGADRP C[C@@H]1CC[C@@H]([NH2+]CC2CC[NH+](C3CC3)CC2)CN1C(=O)OC(C)(C)C ZINC000822476674 729179162 /nfs/dbraw/zinc/17/91/62/729179162.db2.gz SUSCDURHYGHILI-NVXWUHKLSA-N 2 0 351.535 3.238 20 0 FGADRP C[C@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000834893086 729844449 /nfs/dbraw/zinc/84/44/49/729844449.db2.gz NSNDMAIEOHKTNC-XWDNEUNKSA-N 2 0 351.535 3.237 20 0 FGADRP C[C@@H]1C[C@H](C[NH2+]CCCC[N@H+](C)C2CC2)CCN1C(=O)OC(C)(C)C ZINC000835063122 729854632 /nfs/dbraw/zinc/85/46/32/729854632.db2.gz HJNGQSZXNCYIEM-IAGOWNOFSA-N 2 0 353.551 3.486 20 0 FGADRP Cc1nn(Cc2ccccc2)c(Cl)c1CN1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000843058981 730574980 /nfs/dbraw/zinc/57/49/80/730574980.db2.gz BDKHQAJVCSKSJY-YTQUADARSA-N 2 0 358.917 3.452 20 0 FGADRP C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+]CCCCCC[NH3+] ZINC000843126523 730588732 /nfs/dbraw/zinc/58/87/32/730588732.db2.gz IBMBTDXTOMOMIV-ZDUSSCGKSA-N 2 0 356.308 3.275 20 0 FGADRP [NH3+]C1C[C@H]2CCC[C@@H](C1)N2CCC(=O)Nc1cccc(Br)c1 ZINC000843360293 730610506 /nfs/dbraw/zinc/61/05/06/730610506.db2.gz MMTRGCCSIFPOSB-VHRNVKJDSA-N 2 0 366.303 3.122 20 0 FGADRP C[C@@H]1C[C@H]([NH2+]C2CC([NH+]3CCCCC3)C2)CN(C(=O)OC(C)(C)C)C1 ZINC000843407516 730616361 /nfs/dbraw/zinc/61/63/61/730616361.db2.gz SXEBRDZKIROILO-ZLZJIPBDSA-N 2 0 351.535 3.238 20 0 FGADRP C[NH2+]Cc1ccccc1C[NH2+][C@H](C)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000844925970 730790452 /nfs/dbraw/zinc/79/04/52/730790452.db2.gz SKSPKDIDTPOXBL-CYBMUJFWSA-N 2 0 368.449 3.253 20 0 FGADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H](c1ccc(F)cc1)C1CCOCC1 ZINC000883196429 737534785 /nfs/dbraw/zinc/53/47/85/737534785.db2.gz PFHGACSMFWPIFM-UXHICEINSA-N 2 0 352.494 3.240 20 0 FGADRP CCC[NH+]1CCC(C[NH2+]C2CC(CCNC(=O)OC(C)(C)C)C2)CC1 ZINC000845936648 730910747 /nfs/dbraw/zinc/91/07/47/730910747.db2.gz XTKBGURXUMSGGP-UHFFFAOYSA-N 2 0 353.551 3.391 20 0 FGADRP Cc1cc(Br)ccc1NC(=O)C[N@H+](C)CCCCCC[NH3+] ZINC000846217211 730937232 /nfs/dbraw/zinc/93/72/32/730937232.db2.gz CWXLQMAMTVKYNI-UHFFFAOYSA-N 2 0 356.308 3.147 20 0 FGADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CC2CCC1(CNC(=O)OC(C)(C)C)CC2 ZINC000846903861 730993521 /nfs/dbraw/zinc/99/35/21/730993521.db2.gz ZSPRUUOEIAGFFI-OHTSDLOESA-N 2 0 351.535 3.240 20 0 FGADRP COc1ccc(C[NH+]2CCC(C[NH2+]Cc3cnc(Cl)n3C)CC2)cc1 ZINC000848532422 731176227 /nfs/dbraw/zinc/17/62/27/731176227.db2.gz HXLMCGQCALLRAP-UHFFFAOYSA-N 2 0 362.905 3.084 20 0 FGADRP C[C@@H](NC(=[NH2+])NCCNc1cc[nH+]cc1)c1ccc(Cl)cc1Cl ZINC000849064741 731225327 /nfs/dbraw/zinc/22/53/27/731225327.db2.gz DGHDNOLAECDTHS-LLVKDONJSA-N 2 0 352.269 3.097 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1cc(F)c(C(F)(F)F)cc1F ZINC000849078019 731226724 /nfs/dbraw/zinc/22/67/24/731226724.db2.gz FIEGNNUIQWFIRQ-LLVKDONJSA-N 2 0 364.362 3.082 20 0 FGADRP CCOC(=O)NC1CCC([NH2+]C[C@H]2CCC[N@@H+]2C2CCCCC2)CC1 ZINC000850467396 731359956 /nfs/dbraw/zinc/35/99/56/731359956.db2.gz VKXLGGCBDUDERW-FAFZWHIHSA-N 2 0 351.535 3.430 20 0 FGADRP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+][C@H]3CCc4nc(Cl)ccc43)cc2)C1 ZINC000850508760 731366438 /nfs/dbraw/zinc/36/64/38/731366438.db2.gz OATWJNNVTOKXMM-AEFFLSMTSA-N 2 0 357.885 3.079 20 0 FGADRP Cc1ncsc1C[NH+]1CC[C@@H](Oc2ccnc(C[N@@H+](C)C(C)C)c2)C1 ZINC000856559800 732038705 /nfs/dbraw/zinc/03/87/05/732038705.db2.gz JHXQYZPBCZXJJY-GOSISDBHSA-N 2 0 360.527 3.340 20 0 FGADRP C[N@@H+]1CC[C@H]([NH2+][C@H]2CCN(C(=O)OC(C)(C)C)C23CCC3)CC1(C)C ZINC000858228230 732194509 /nfs/dbraw/zinc/19/45/09/732194509.db2.gz FHCQHMACKOQHCE-HOTGVXAUSA-N 2 0 351.535 3.381 20 0 FGADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1C[C@@]2(C)CN(C(=O)OC(C)(C)C)C[C@@]2(C)C1 ZINC000860034694 732437479 /nfs/dbraw/zinc/43/74/79/732437479.db2.gz RPTQYMJHWFXUEN-AHRSYUTCSA-N 2 0 351.535 3.050 20 0 FGADRP CC[C@H](c1ccc(Cl)cc1)[NH+]1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000863550534 732976002 /nfs/dbraw/zinc/97/60/02/732976002.db2.gz YYYFNNPWXAHCMZ-KURKYZTESA-N 2 0 363.889 3.048 20 0 FGADRP [NH3+]CCCCCCC[N@@H+]1CC[C@@H](O)[C@H]1c1ccc(Br)cc1 ZINC000863561960 732976893 /nfs/dbraw/zinc/97/68/93/732976893.db2.gz FUPGHELUJOPRIX-IAGOWNOFSA-N 2 0 355.320 3.466 20 0 FGADRP Clc1cncc(Cl)c1C[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000865619654 733238972 /nfs/dbraw/zinc/23/89/72/733238972.db2.gz CMOSBJAHFYBYDP-UHFFFAOYSA-N 2 0 358.313 3.369 20 0 FGADRP C[N@@H+]1CCCC[C@@H](C[NH2+]C[C@H](CC(F)(F)F)NC(=O)OC(C)(C)C)C1 ZINC000865641075 733243440 /nfs/dbraw/zinc/24/34/40/733243440.db2.gz SMCOCTUVRQTWBG-KBPBESRZSA-N 2 0 367.456 3.154 20 0 FGADRP Cc1ccc(NC(=O)c2csc(C3CC[NH2+]CC3)n2)c(C[NH+](C)C)c1 ZINC000870886995 733899415 /nfs/dbraw/zinc/89/94/15/733899415.db2.gz KUSOZJMQFWVHBL-UHFFFAOYSA-N 2 0 358.511 3.232 20 0 FGADRP CC[NH+](CC)CCC[C@@H](C)NC(=O)[C@@H]([NH3+])c1cccc(Br)c1 ZINC000870914458 733901770 /nfs/dbraw/zinc/90/17/70/733901770.db2.gz SICITPNHKYAUIK-CJNGLKHVSA-N 2 0 370.335 3.076 20 0 FGADRP C[NH+]1CCN(C2CC[NH+](Cn3ccc(=S)c4ccccc43)CC2)CC1 ZINC000872732340 735668138 /nfs/dbraw/zinc/66/81/38/735668138.db2.gz UKYHNVLOEUSZLQ-UHFFFAOYSA-N 2 0 356.539 3.040 20 0 FGADRP C[C@H](NC(=O)N1CCC(C)([NH+]2CCCCC2)CC1)C(C)(C)C[NH+](C)C ZINC000872932101 735697720 /nfs/dbraw/zinc/69/77/20/735697720.db2.gz LEFQHBMRTKFHMW-KRWDZBQOSA-N 2 0 352.567 3.013 20 0 FGADRP C[C@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000873250017 735744015 /nfs/dbraw/zinc/74/40/15/735744015.db2.gz ORVJUHIHSDLVHZ-FOGDFJRCSA-N 2 0 363.811 3.403 20 0 FGADRP O=C(/C=C/[C@H]1CCC[NH2+]C1)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000876948790 736167132 /nfs/dbraw/zinc/16/71/32/736167132.db2.gz PEEJLWICFIYDNZ-JSNVTFDYSA-N 2 0 359.539 3.369 20 0 FGADRP CC(C)(C)O[C@@H]1C[C@H]([NH2+]C2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)C12CCC2 ZINC000877090641 736186829 /nfs/dbraw/zinc/18/68/29/736186829.db2.gz WTHYUNWWMVJWTI-YDZRNGNQSA-N 2 0 350.547 3.080 20 0 FGADRP CSC(C)(C)CC[NH+]1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000877518879 736677689 /nfs/dbraw/zinc/67/76/89/736677689.db2.gz WMIZIAMAWUPGDC-FQEVSTJZSA-N 2 0 361.599 3.410 20 0 FGADRP COCC[N@@H+](Cc1cc2cc(Cl)cnc2o1)CC1CC[NH+](C)CC1 ZINC000877664768 736701845 /nfs/dbraw/zinc/70/18/45/736701845.db2.gz WASBYUMJSHCQBG-UHFFFAOYSA-N 2 0 351.878 3.271 20 0 FGADRP C[C@H]([NH2+]C[C@@H]1CCC2(CCOCC2)CO1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000878411584 736827676 /nfs/dbraw/zinc/82/76/76/736827676.db2.gz LVMDSQILNXDVMU-BJLQDIEVSA-N 2 0 350.547 3.205 20 0 FGADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@@H+]2CCc2ccccc2Br)C1 ZINC000883435585 737566559 /nfs/dbraw/zinc/56/65/59/737566559.db2.gz WRRBBYRSPMFGCF-KBAYOESNSA-N 2 0 367.331 3.352 20 0 FGADRP C[N@@H+]1CCC[C@H](CNC(=O)N2CCCCC[C@H]([NH3+])C2)[C@@H]1c1cccs1 ZINC000891596625 739919332 /nfs/dbraw/zinc/91/93/32/739919332.db2.gz DOUVYEREMGIGHH-SOLBZPMBSA-N 2 0 364.559 3.044 20 0 FGADRP COCCCC1(C[NH+]2CCN(C3CC[NH+](C(C)C)CC3)CC2)CCC1 ZINC000892194592 739974580 /nfs/dbraw/zinc/97/45/80/739974580.db2.gz VLLCQCYQLYUABB-UHFFFAOYSA-N 2 0 351.579 3.074 20 0 FGADRP CC[NH+](CC)Cc1ccc(C[NH2+][C@@H]2CCC3(C[C@H]2F)OCCO3)cc1 ZINC000892460295 740003232 /nfs/dbraw/zinc/00/32/32/740003232.db2.gz MPOGLIITEGADSG-RTBURBONSA-N 2 0 350.478 3.252 20 0 FGADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@H]2CCC[N@H+](CC)C2)C[C@@H]1C(F)(F)F ZINC000892741447 740039720 /nfs/dbraw/zinc/03/97/20/740039720.db2.gz AXWXQVHQRIKVED-QXSJWSMHSA-N 2 0 364.452 3.218 20 0 FGADRP C[NH+](C)CCCC(C)(C)[NH2+]Cc1ccc(NC(=O)OC(C)(C)C)nn1 ZINC000894729949 742325067 /nfs/dbraw/zinc/32/50/67/742325067.db2.gz CHCCSKZEXVPLEH-UHFFFAOYSA-N 2 0 351.495 3.034 20 0 FGADRP C[N@H+](Cc1cc2c(cccc2O)s1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000894768988 742330587 /nfs/dbraw/zinc/33/05/87/742330587.db2.gz BRGRMLOAGFXVPK-MRXNPFEDSA-N 2 0 359.539 3.207 20 0 FGADRP C[NH+](C)C[C@@H]1CN(Cc2cc3ccnc(Cl)c3s2)C[C@H]1C[NH+](C)C ZINC000895418618 742410306 /nfs/dbraw/zinc/41/03/06/742410306.db2.gz OBSXSQLNZBZERQ-HUUCEWRRSA-N 2 0 366.962 3.121 20 0 FGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@@H](C)c2ccc(C(F)(F)F)cn2)CC1 ZINC000902791332 743775662 /nfs/dbraw/zinc/77/56/62/743775662.db2.gz UMLQLXORSZMLOR-GJZGRUSLSA-N 2 0 358.452 3.025 20 0 FGADRP O[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)c1ccccc1Br ZINC000903183809 743818475 /nfs/dbraw/zinc/81/84/75/743818475.db2.gz QVWACKRPZRYITL-SDJXIENJSA-N 2 0 365.315 3.230 20 0 FGADRP O[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)c1ccccc1Br ZINC000903183808 743818593 /nfs/dbraw/zinc/81/85/93/743818593.db2.gz QVWACKRPZRYITL-BDCDKBNASA-N 2 0 365.315 3.230 20 0 FGADRP Cc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]C[C@H]1C[NH2+]CCC1(F)F ZINC000903957606 743905363 /nfs/dbraw/zinc/90/53/63/743905363.db2.gz RJRHZQQQHGLKCG-QWHCGFSZSA-N 2 0 359.848 3.200 20 0 FGADRP CC(C)(C)OC(=O)N1CCC[C@@H]([C@H]2CCCC[N@@H+]2C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904371866 743950071 /nfs/dbraw/zinc/95/00/71/743950071.db2.gz VGFVTFVBZAKLEX-ZJPYXAASSA-N 2 0 351.535 3.225 20 0 FGADRP C[NH+]1CCC(CNC(=S)Nc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000905561019 744032387 /nfs/dbraw/zinc/03/23/87/744032387.db2.gz OZQKTXYYKFQFEK-UHFFFAOYSA-N 2 0 360.571 3.301 20 0 FGADRP CC(C)[C@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1ccc(C(F)(F)F)cc1)C2 ZINC000922386564 758909434 /nfs/dbraw/zinc/90/94/34/758909434.db2.gz ICYHLNQZDXQZAG-TVFCKZIOSA-N 2 0 356.432 3.275 20 0 FGADRP CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3cc(C)cnc3Cl)C2)[C@H]1C(C)C ZINC000922395582 758913676 /nfs/dbraw/zinc/91/36/76/758913676.db2.gz UASPZCAGIAUSMY-MTNOOBJLSA-N 2 0 351.922 3.003 20 0 FGADRP FC(F)(F)CCN1CCC([NH2+]CC[C@@H]2CC[C@@H](C(F)(F)F)O2)CC1 ZINC000922675706 758975212 /nfs/dbraw/zinc/97/52/12/758975212.db2.gz FCRPFANTUVHXPT-STQMWFEESA-N 2 0 362.358 3.493 20 0 FGADRP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](C[C@@H](O)c2ccc(Cl)cc2Cl)CC1 ZINC000923374612 759107602 /nfs/dbraw/zinc/10/76/02/759107602.db2.gz BSLZMTXHTNGVOS-KURKYZTESA-N 2 0 373.324 3.245 20 0 FGADRP C[C@H]1CC2(C[N@@H+]1C[C@@H](O)Cc1ccc(C(F)(F)F)cc1)CC[NH2+]CC2 ZINC000923382525 759108757 /nfs/dbraw/zinc/10/87/57/759108757.db2.gz CGEUVJZCZXVJAI-YOEHRIQHSA-N 2 0 356.432 3.073 20 0 FGADRP CC[C@@H]1CN(C(=O)C(C)C)CC[C@@H]1[NH2+]C1CC[NH+](CCC(C)C)CC1 ZINC000925176419 759459387 /nfs/dbraw/zinc/45/93/87/759459387.db2.gz GZVFMGXPXPUPFX-QUCCMNQESA-N 2 0 351.579 3.370 20 0 FGADRP C[C@@H]([NH2+]CCN1CCC([NH3+])CC1)c1ccc(SCC(F)(F)F)cc1 ZINC000925812237 759549219 /nfs/dbraw/zinc/54/92/19/759549219.db2.gz WDSLLNPJNKHORX-CYBMUJFWSA-N 2 0 361.477 3.415 20 0 FGADRP C[C@H]([NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000925849736 759557283 /nfs/dbraw/zinc/55/72/83/759557283.db2.gz KSZJHKILBHPHNP-XDQVBPFNSA-N 2 0 368.930 3.168 20 0 FGADRP COCCc1nc(C)c([C@H](C)[NH2+][C@H]2C[C@@](C[NH3+])(c3ccccc3)C2)s1 ZINC000925886943 759566936 /nfs/dbraw/zinc/56/69/36/759566936.db2.gz NXDSVIUEHYLMHU-GZRFBZBPSA-N 2 0 359.539 3.350 20 0 FGADRP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1CO)C1(Br)CC1 ZINC000926126896 759658479 /nfs/dbraw/zinc/65/84/79/759658479.db2.gz SOJTXJFLSJGVKA-PBHICJAKSA-N 2 0 367.331 3.049 20 0 FGADRP C[C@H]([NH2+]C1CCC(C)([NH+]2CCC2)CC1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000927039460 759880892 /nfs/dbraw/zinc/88/08/92/759880892.db2.gz SSFHKCAPYRTFKP-ASFAAARLSA-N 2 0 368.518 3.287 20 0 FGADRP C[N@@H+]1CC[C@H]([NH2+][C@@H]2C[C@H](OC(C)(C)C)C23CCOCC3)[C@H]2CCC[C@H]21 ZINC000927161239 759910030 /nfs/dbraw/zinc/91/00/30/759910030.db2.gz GNFWXBZLUZAEHX-ZRSRNVLSSA-N 2 0 350.547 3.202 20 0 FGADRP FC(F)(F)[C@H]1CCC[C@@H](C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)O1 ZINC000929762120 760451342 /nfs/dbraw/zinc/45/13/42/760451342.db2.gz DPAVEXHLRGTOIK-DLBZAZTESA-N 2 0 364.452 3.063 20 0 FGADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1ccc(F)c(C(F)F)c1 ZINC000932686044 761218722 /nfs/dbraw/zinc/21/87/22/761218722.db2.gz YVCPHJITPOGLIQ-UHFFFAOYSA-N 2 0 359.436 3.109 20 0 FGADRP CC[C@@H]1[C@@H](C(=O)N2CCC([NH2+]Cc3ccccc3Cl)CC2)CC[N@@H+]1C ZINC000996602826 765019992 /nfs/dbraw/zinc/01/99/92/765019992.db2.gz HIIOKZKROJPZTC-PKOBYXMFSA-N 2 0 363.933 3.151 20 0 FGADRP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]([NH2+]Cc3sccc3Cl)C2)CC[N@@H+]1C ZINC000999203288 765147358 /nfs/dbraw/zinc/14/73/58/765147358.db2.gz ABKPLMGJLQDBFW-IJEWVQPXSA-N 2 0 369.962 3.212 20 0 FGADRP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CC[NH+](Cc3cccc(Cl)c3)C2)CC[N@@H+]1C ZINC001033096421 766206065 /nfs/dbraw/zinc/20/60/65/766206065.db2.gz MLKIUPIWHBSPLL-CEXWTWQISA-N 2 0 363.933 3.103 20 0 FGADRP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]2C[NH2+]Cc2cccc(Cl)c2)CC[N@@H+]1C ZINC001034941245 766250733 /nfs/dbraw/zinc/25/07/33/766250733.db2.gz NTCPDXDITPOHCD-CEXWTWQISA-N 2 0 363.933 3.151 20 0 FGADRP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]2C[NH2+]Cc2ccccc2Cl)CC[N@@H+]1C ZINC001045044598 766505239 /nfs/dbraw/zinc/50/52/39/766505239.db2.gz OWDNFUFRCJCONZ-JENIJYKNSA-N 2 0 363.933 3.151 20 0 FGADRP C[C@@H]1[C@H](C(=O)N[C@@H]2CCC[NH+](Cc3sccc3Cl)CC2)CC[N@@H+]1C ZINC001052393794 766900130 /nfs/dbraw/zinc/90/01/30/766900130.db2.gz QXPQHRDPRCIWFK-RBSFLKMASA-N 2 0 369.962 3.212 20 0 FGADRP CC1CC[NH+](C2CCC([NH2+]Cc3ccc4c(c3)NC(=O)CO4)CC2)CC1 ZINC000293494259 257378689 /nfs/dbraw/zinc/37/86/89/257378689.db2.gz AXZWYEXXIRHYCG-UHFFFAOYSA-N 2 0 357.498 3.150 20 0 FGADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@H](C)c2cccc(NS(C)(=O)=O)c2)C1 ZINC000540147683 503690129 /nfs/dbraw/zinc/69/01/29/503690129.db2.gz ORCBSOHUANVYMH-IAGOWNOFSA-N 2 0 367.559 3.077 20 0 FGADRP C[NH+](C)[C@H](CNC(=O)c1ccccc1CC1CC[NH2+]CC1)c1cccs1 ZINC000567968254 505585733 /nfs/dbraw/zinc/58/57/33/505585733.db2.gz WBCPLVHDDINGMQ-LJQANCHMSA-N 2 0 371.550 3.323 20 0 FGADRP Cc1ccc([C@@H]([NH3+])C(=O)N2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)cc1 ZINC000567980511 505589560 /nfs/dbraw/zinc/58/95/60/505589560.db2.gz CKUVCUHCFHQCCN-GHTZIAJQSA-N 2 0 357.542 3.498 20 0 FGADRP COc1ccc(C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)cc1Br ZINC000573723295 505604102 /nfs/dbraw/zinc/60/41/02/505604102.db2.gz PGSOGXVUMLPLTF-HNNXBMFYSA-N 2 0 353.304 3.279 20 0 FGADRP C/C(=C\c1cccc(C(F)(F)F)c1)C[NH2+]CCCN1CC[NH+](C)CC1 ZINC000568077939 505611155 /nfs/dbraw/zinc/61/11/55/505611155.db2.gz YHFOPGUMICVFQB-DTQAZKPQSA-N 2 0 355.448 3.336 20 0 FGADRP C[NH+](C)CCCCC(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000576929932 505626860 /nfs/dbraw/zinc/62/68/60/505626860.db2.gz MNDLKGJKXJXCTM-SFHVURJKSA-N 2 0 351.922 3.325 20 0 FGADRP Brc1ccc(-c2nc(CN3CC[C@H]4C[NH2+]C[C@H]4C3)co2)cc1 ZINC000579834189 505629404 /nfs/dbraw/zinc/62/94/04/505629404.db2.gz PVBWLFRMWDTSLB-KBPBESRZSA-N 2 0 362.271 3.145 20 0 FGADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc(I)cc2)C1 ZINC000037644496 494108098 /nfs/dbraw/zinc/10/80/98/494108098.db2.gz OKLKXVMMDSEPOW-STQMWFEESA-N 2 0 358.267 3.284 20 0 FGADRP COC1CC[NH+](C(C)(C)CNC(=O)CC[C@H]([NH3+])CC2CCCCC2)CC1 ZINC000573917237 505650835 /nfs/dbraw/zinc/65/08/35/505650835.db2.gz PRYFMBAJVJQEGM-SFHVURJKSA-N 2 0 367.578 3.070 20 0 FGADRP C[NH2+]Cc1cccc(NC(=O)N2CC[C@H]([N@H+](C)CCc3ccccc3)C2)c1 ZINC000568282232 505658768 /nfs/dbraw/zinc/65/87/68/505658768.db2.gz RYNGBLOYOJUYDY-NRFANRHFSA-N 2 0 366.509 3.187 20 0 FGADRP CC(C)[NH+]1CCC([NH2+]C[C@H](O)CO[C@H](C)c2ccc(Cl)cc2)CC1 ZINC000571198315 505677471 /nfs/dbraw/zinc/67/74/71/505677471.db2.gz JLMITHAPMRTBJZ-BEFAXECRSA-N 2 0 354.922 3.241 20 0 FGADRP C[C@H](C(=O)NC1CCCC1)[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000057843827 493807599 /nfs/dbraw/zinc/80/75/99/493807599.db2.gz JDKVCCXGOMFOAR-GOSISDBHSA-N 2 0 357.542 3.278 20 0 FGADRP O=C(NCC[NH+]1CCCCC1)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000058216766 493834760 /nfs/dbraw/zinc/83/47/60/493834760.db2.gz MLJBQUOTQPITCI-UHFFFAOYSA-N 2 0 372.557 3.348 20 0 FGADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000081364632 493880854 /nfs/dbraw/zinc/88/08/54/493880854.db2.gz USNXBMKDNIGFOW-HXUWFJFHSA-N 2 0 357.542 3.089 20 0 FGADRP C[C@@H]1C[N@@H+](CC2CC[NH+](Cc3ccc(-n4ccnc4)cc3)CC2)C[C@H](C)O1 ZINC000069017159 493907190 /nfs/dbraw/zinc/90/71/90/493907190.db2.gz ZKVFVRNMCWWPDW-KDURUIRLSA-N 2 0 368.525 3.194 20 0 FGADRP Cc1nc(C)c(C[NH2+]CCCC[NH+]2CCN(Cc3ccccc3)CC2)s1 ZINC000076866733 493982309 /nfs/dbraw/zinc/98/23/09/493982309.db2.gz RECAQHASHVWNQX-UHFFFAOYSA-N 2 0 372.582 3.448 20 0 FGADRP CCCC[N@H+](C)CC1CC[NH+](CC(=O)N(C)Cc2cccs2)CC1 ZINC000052208298 494011128 /nfs/dbraw/zinc/01/11/28/494011128.db2.gz ZMFXYXZTHNBPMO-UHFFFAOYSA-N 2 0 351.560 3.150 20 0 FGADRP CCCC[N@H+](C)CC1CC[NH+](C[C@H](O)COc2ccc(F)cc2)CC1 ZINC000052208461 494011788 /nfs/dbraw/zinc/01/17/88/494011788.db2.gz CRXNNHCSMSYCDX-IBGZPJMESA-N 2 0 352.494 3.009 20 0 FGADRP CCCC[N@H+](C)CC1CC[NH+](CC(=O)N2CCc3ccccc3C2)CC1 ZINC000052208318 494012132 /nfs/dbraw/zinc/01/21/32/494012132.db2.gz SJYCTHMHRAFBDY-UHFFFAOYSA-N 2 0 357.542 3.015 20 0 FGADRP CC(C)(C)[N@@H+]1CCCN(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000063785211 494088305 /nfs/dbraw/zinc/08/83/05/494088305.db2.gz NWZTXHGVWUFCCY-UHFFFAOYSA-N 2 0 372.557 3.167 20 0 FGADRP C[C@@H]1CCC[C@@](CNC(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)([NH+](C)C)C1 ZINC000063802689 494090050 /nfs/dbraw/zinc/09/00/50/494090050.db2.gz HUDYETDREPOTCP-SYYKKAFVSA-N 2 0 357.542 3.278 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)NCCC[NH+]2CCCC[C@@H]2C)C1 ZINC000071923572 494108415 /nfs/dbraw/zinc/10/84/15/494108415.db2.gz AZLOXXRWVKJCIN-ZCNNSNEGSA-N 2 0 366.594 3.308 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N(C)[C@@H]1CC[N@H+](C)C[C@@H]1C)c1ccccc1 ZINC000085387464 494118536 /nfs/dbraw/zinc/11/85/36/494118536.db2.gz MQEZZGARMJJWIN-DFQSSKMNSA-N 2 0 360.546 3.051 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N(C)[C@H]1CC[N@H+](C)C[C@@H]1C)c1ccsc1 ZINC000085390493 494119316 /nfs/dbraw/zinc/11/93/16/494119316.db2.gz DBOAHMRDMABLDC-RYQLBKOJSA-N 2 0 366.575 3.113 20 0 FGADRP O=C([C@H]1CCC[N@H+](Cc2ccccc2)C1)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000072094578 494127324 /nfs/dbraw/zinc/12/73/24/494127324.db2.gz RFTPKPBETZRLOU-FCHUYYIVSA-N 2 0 369.553 3.376 20 0 FGADRP C[C@@H](c1ccccc1)N1CC[C@@H]([NH2+]CCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000088695292 494255398 /nfs/dbraw/zinc/25/53/98/494255398.db2.gz QQHBCNZIAYNRCL-CUXKYVRBSA-N 2 0 359.558 3.301 20 0 FGADRP CCC[NH+]1CCC(N(C)C(=O)NCc2cccc(C[N@H+](C)CC)c2)CC1 ZINC000066191737 494287009 /nfs/dbraw/zinc/28/70/09/494287009.db2.gz NSEUWDPISMSXKB-UHFFFAOYSA-N 2 0 360.546 3.154 20 0 FGADRP C[C@H]1CCCC[N@@H+]1CCCNC(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000043860116 494325183 /nfs/dbraw/zinc/32/51/83/494325183.db2.gz IWUOQXUIABHXPU-IBGZPJMESA-N 2 0 372.557 3.346 20 0 FGADRP C[NH2+][C@@H](CC(C)(C)C)C(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000577368905 505714498 /nfs/dbraw/zinc/71/44/98/505714498.db2.gz OGGNAILZQXONLE-SFHVURJKSA-N 2 0 365.949 3.445 20 0 FGADRP CC[NH+](CC)CCCNC(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000073437396 494370544 /nfs/dbraw/zinc/37/05/44/494370544.db2.gz CUDZEBFMOYYPBP-WMZOPIPTSA-N 2 0 366.575 3.162 20 0 FGADRP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)NCCC[NH+](C)Cc1ccccc1 ZINC000073537753 494386292 /nfs/dbraw/zinc/38/62/92/494386292.db2.gz OTDNBFWDUYHULD-HXUWFJFHSA-N 2 0 360.546 3.024 20 0 FGADRP C[NH+](C)CCN(C(=O)C1CC[NH+](Cc2cccnc2)CC1)C1CCCCC1 ZINC000073567822 494392347 /nfs/dbraw/zinc/39/23/47/494392347.db2.gz ZCSOJUOYRVSKQD-UHFFFAOYSA-N 2 0 372.557 3.017 20 0 FGADRP CC1CC[NH+](Cc2ccc(CNC(=O)NCCC[NH+]3CCCC3)cc2)CC1 ZINC000045121398 494398605 /nfs/dbraw/zinc/39/86/05/494398605.db2.gz CBPVXNIMALKWLO-UHFFFAOYSA-N 2 0 372.557 3.204 20 0 FGADRP C[NH+](C)CCNC(=O)c1ccc(C[NH2+][C@@H](Cc2ccccc2)C2CC2)cc1 ZINC000090038562 494431077 /nfs/dbraw/zinc/43/10/77/494431077.db2.gz RUFJDSFMTVJXLM-QFIPXVFZSA-N 2 0 365.521 3.089 20 0 FGADRP CC(C)[NH+]1CCC([N@H+](C)C[C@H](O)COCc2ccccc2Cl)CC1 ZINC000073895177 494444583 /nfs/dbraw/zinc/44/45/83/494444583.db2.gz AKBYVBPJRFKMPY-SFHVURJKSA-N 2 0 354.922 3.022 20 0 FGADRP C[C@H](CNC(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C)[NH+](C)Cc1ccccc1 ZINC000074168718 494491730 /nfs/dbraw/zinc/49/17/30/494491730.db2.gz PYHXKSNCKWWDDA-QUCCMNQESA-N 2 0 360.546 3.023 20 0 FGADRP COc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1ccnc(OCC[NH+](C)C)c1 ZINC000090937022 494504602 /nfs/dbraw/zinc/50/46/02/494504602.db2.gz GCYGJDHWLQUFDC-FQEVSTJZSA-N 2 0 355.482 3.198 20 0 FGADRP C[NH+](C)CCOc1cc(C[NH2+][C@@H]2CSCCc3ccccc32)ccn1 ZINC000090937386 494504690 /nfs/dbraw/zinc/50/46/90/494504690.db2.gz AICMVLCSEFHNLY-LJQANCHMSA-N 2 0 357.523 3.142 20 0 FGADRP C[C@H](OC[C@@H](O)C[NH+]1CCC(CC[NH+](C)C)CC1)c1ccc(Cl)cc1 ZINC000056523005 494519484 /nfs/dbraw/zinc/51/94/84/494519484.db2.gz OELMLTHMZBZHEX-JXFKEZNVSA-N 2 0 368.949 3.442 20 0 FGADRP C[NH+](C)CCC1CC[NH+](CCC(=O)N[C@@H]2CCCc3ccccc32)CC1 ZINC000056522152 494519967 /nfs/dbraw/zinc/51/99/67/494519967.db2.gz AQMYEDJFBVNIRP-OAQYLSRUSA-N 2 0 357.542 3.234 20 0 FGADRP CC(C)c1ccc(CCNC(=O)C[NH+]2CCC(CC[NH+](C)C)CC2)cc1 ZINC000056524694 494520986 /nfs/dbraw/zinc/52/09/86/494520986.db2.gz ZTMUFRUEXJNIKV-UHFFFAOYSA-N 2 0 359.558 3.132 20 0 FGADRP CC(C)[NH+]1CCC(NC(=O)NC[C@H]2CCC[N@@H+]2CC2CCCCC2)CC1 ZINC000067455977 494545506 /nfs/dbraw/zinc/54/55/06/494545506.db2.gz XXPFKQLOLVKVQV-HXUWFJFHSA-N 2 0 364.578 3.203 20 0 FGADRP CC[NH+](CC)Cc1ccc(CNC(=O)NC[C@@H](C)C[NH+]2CCCC2)cc1 ZINC000079922572 494550049 /nfs/dbraw/zinc/55/00/49/494550049.db2.gz XIKSOFMGQDMRHW-GOSISDBHSA-N 2 0 360.546 3.060 20 0 FGADRP C[NH+]1CCN(CCC[NH2+][C@H](c2cccc(C(F)(F)F)c2)C2CC2)CC1 ZINC000091266680 494576061 /nfs/dbraw/zinc/57/60/61/494576061.db2.gz PFNZBLPVPHYUOB-SFHVURJKSA-N 2 0 355.448 3.384 20 0 FGADRP COc1ccc([C@@H]([NH2+]Cc2ccnc(N3CC[NH+](C)CC3)c2)C(C)C)cc1 ZINC000091286925 494578041 /nfs/dbraw/zinc/57/80/41/494578041.db2.gz VPOHTWYOZGSDFG-QFIPXVFZSA-N 2 0 368.525 3.329 20 0 FGADRP C[C@H](C[NH2+][C@H]1CCc2ccc(OC(F)(F)F)cc21)CN1CC[NH+](C)CC1 ZINC000121088338 494590524 /nfs/dbraw/zinc/59/05/24/494590524.db2.gz IPVIHFMUSIEKEA-KDOFPFPSSA-N 2 0 371.447 3.046 20 0 FGADRP CC[NH+](CC)Cc1cccc(CNC(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)c1 ZINC000115795672 494623600 /nfs/dbraw/zinc/62/36/00/494623600.db2.gz ZEVUTPRGLBRLLN-HXUWFJFHSA-N 2 0 360.546 3.012 20 0 FGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@@H]2CCCOc3c(Cl)cccc32)CC1 ZINC000121160951 494624131 /nfs/dbraw/zinc/62/41/31/494624131.db2.gz SUTNNXIFOYDVAJ-QFBILLFUSA-N 2 0 365.949 3.417 20 0 FGADRP Cc1cc(F)ccc1C[NH+]1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000092426771 494625261 /nfs/dbraw/zinc/62/52/61/494625261.db2.gz NZOYWOQZIWTPNS-UHFFFAOYSA-N 2 0 363.521 3.050 20 0 FGADRP Cc1ccc([C@@H](CNC(=O)N(C)C[C@H]2CCC[N@H+](C)C2)[NH+]2CCCC2)cc1 ZINC000115813818 494629620 /nfs/dbraw/zinc/62/96/20/494629620.db2.gz APTJRHPKVSMNKG-PZJWPPBQSA-N 2 0 372.557 3.115 20 0 FGADRP C[C@@H]1CCC[N@H+](CCNC(=O)N2CCC(C[NH+]3CCCCCC3)CC2)C1 ZINC000107983928 494631626 /nfs/dbraw/zinc/63/16/26/494631626.db2.gz PZRYBNYAIOESDO-LJQANCHMSA-N 2 0 364.578 3.016 20 0 FGADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1cc(Cl)ccc1Cl ZINC000057157264 494659490 /nfs/dbraw/zinc/65/94/90/494659490.db2.gz SLXWGIGRJFEREZ-UHFFFAOYSA-N 2 0 360.329 3.339 20 0 FGADRP C[NH+](C)Cc1cccc(C(=O)N2CC[C@@H]([N@H+](C)Cc3ccccc3)C2)c1 ZINC000075181014 494701919 /nfs/dbraw/zinc/70/19/19/494701919.db2.gz QGOSXFWPGXRQDI-OAQYLSRUSA-N 2 0 351.494 3.095 20 0 FGADRP NC(=O)[C@H]1CCC[N@H+](Cc2cccc(C[NH2+]Cc3cccc(Cl)c3)c2)C1 ZINC000108420610 494702566 /nfs/dbraw/zinc/70/25/66/494702566.db2.gz FMZNEAVMWCQACA-IBGZPJMESA-N 2 0 371.912 3.327 20 0 FGADRP C[C@@H]1CCCC[C@@H]1CC(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000577483184 505737313 /nfs/dbraw/zinc/73/73/13/505737313.db2.gz VIIMYPFBKZYMJP-UYAOXDASSA-N 2 0 357.542 3.313 20 0 FGADRP [NH3+][C@H]1C[C@@H]([NH2+]C2CCN(C(=O)CCc3ccccc3)CC2)c2ccccc21 ZINC000577482087 505737349 /nfs/dbraw/zinc/73/73/49/505737349.db2.gz CQNQSEPPXGLZRO-FCHUYYIVSA-N 2 0 363.505 3.345 20 0 FGADRP C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)CC(=O)NCC1CCCCC1 ZINC000092821094 494764794 /nfs/dbraw/zinc/76/47/94/494764794.db2.gz YLLGMHPLIRFWTC-UHFFFAOYSA-N 2 0 372.557 3.316 20 0 FGADRP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000075503420 494779372 /nfs/dbraw/zinc/77/93/72/494779372.db2.gz GOGNSNOMUIDDJM-NRFANRHFSA-N 2 0 372.557 3.167 20 0 FGADRP CCC[NH+]1CCN(c2ccccc2C[N@@H+]2CCC[C@H](n3cccn3)C2)CC1 ZINC000092967635 494796491 /nfs/dbraw/zinc/79/64/91/494796491.db2.gz OHZJNMXXRBJIRB-NRFANRHFSA-N 2 0 367.541 3.252 20 0 FGADRP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)NCC[NH+]2CCC(C)CC2)CC1 ZINC000116529476 494808483 /nfs/dbraw/zinc/80/84/83/494808483.db2.gz REFDCRRUTYFOSD-LJQANCHMSA-N 2 0 372.557 3.243 20 0 FGADRP C[C@H]1C[NH+](CC2CC[NH+](CCC(=O)c3ccc(F)cc3)CC2)C[C@H](C)O1 ZINC000121972578 494901950 /nfs/dbraw/zinc/90/19/50/494901950.db2.gz CKTHWVWMDMRLAP-IRXDYDNUSA-N 2 0 362.489 3.220 20 0 FGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+][C@H](C)C2CCOCC2)CC1 ZINC000127298551 494923924 /nfs/dbraw/zinc/92/39/24/494923924.db2.gz UQRIQBUNJFJPCR-IAGOWNOFSA-N 2 0 363.521 3.433 20 0 FGADRP C[C@H]([NH2+]Cc1ccc(CN2CC[NH+](C)CC2)cc1)c1ccccc1N(C)C ZINC000093942789 494937478 /nfs/dbraw/zinc/93/74/78/494937478.db2.gz FVWPAPUJIAOQOQ-IBGZPJMESA-N 2 0 366.553 3.351 20 0 FGADRP C[C@@H]([NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1)c1ccccc1N(C)C ZINC000093945997 494938013 /nfs/dbraw/zinc/93/80/13/494938013.db2.gz WNHUQAZJWXBMMN-LJQANCHMSA-N 2 0 358.574 3.354 20 0 FGADRP C[NH2+]CCc1ccccc1C(=O)Nc1ccc2ccn(CC[NH+](C)C)c2c1 ZINC000571526302 505754662 /nfs/dbraw/zinc/75/46/62/505754662.db2.gz AYJKLMTWLQWPQD-UHFFFAOYSA-N 2 0 364.493 3.217 20 0 FGADRP COc1cc(Br)c(C[NH+]2CCC([C@H](C)[NH3+])CC2)cc1OC ZINC000110643625 494997639 /nfs/dbraw/zinc/99/76/39/494997639.db2.gz NXPIXHSUIPUADS-NSHDSACASA-N 2 0 357.292 3.026 20 0 FGADRP Cc1ccc([C@H](CNC(=O)N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)[NH+]2CCCC2)cc1 ZINC000127812800 495002347 /nfs/dbraw/zinc/00/23/47/495002347.db2.gz BVPHLAZSXDOSIV-CUWPLCDZSA-N 2 0 370.541 3.056 20 0 FGADRP CN(c1ccccc1C[NH2+]C[C@@H](O)c1cccc(F)c1)C1CC[NH+](C)CC1 ZINC000133334829 495002382 /nfs/dbraw/zinc/00/23/82/495002382.db2.gz YHBJEKZHAAOJBX-JOCHJYFZSA-N 2 0 371.500 3.179 20 0 FGADRP CC(C)[NH+](CCNC(=O)c1ccc(N2CC[NH+](C(C)C)CC2)cc1)C(C)C ZINC000122661711 495011316 /nfs/dbraw/zinc/01/13/16/495011316.db2.gz UTJIQOSZNACFPH-UHFFFAOYSA-N 2 0 374.573 3.066 20 0 FGADRP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCc2cccc(C[NH+](C)C)c2)C1 ZINC000097257386 495029534 /nfs/dbraw/zinc/02/95/34/495029534.db2.gz PKJUANWNFKVJOR-KRWDZBQOSA-N 2 0 360.546 3.058 20 0 FGADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+][C@@H]1CCN(c2ccccc2OC(F)F)C1 ZINC000128008749 495030816 /nfs/dbraw/zinc/03/08/16/495030816.db2.gz ZZEAKHHGVUMLDS-KLHDSHLOSA-N 2 0 353.457 3.185 20 0 FGADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000111464518 495077866 /nfs/dbraw/zinc/07/78/66/495077866.db2.gz WNCSRMNGSMFKBK-NRFANRHFSA-N 2 0 372.557 3.133 20 0 FGADRP Cc1cccc(CN(CC[NH+](C)C)C(=O)NC2CCC(C[NH+](C)C)CC2)c1 ZINC000119058363 495082392 /nfs/dbraw/zinc/08/23/92/495082392.db2.gz KSDJQIJPGDBDKL-UHFFFAOYSA-N 2 0 374.573 3.189 20 0 FGADRP C[N@@H+]1CCCN(CCC[NH2+][C@@H]2CCSc3ccc(Cl)cc32)CC1 ZINC000128373238 495086867 /nfs/dbraw/zinc/08/68/67/495086867.db2.gz RNTCMFIGQCKRRR-QGZVFWFLSA-N 2 0 353.963 3.494 20 0 FGADRP CC[NH+]1CCN(CCC(=O)Nc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)CC1 ZINC000101644723 495088306 /nfs/dbraw/zinc/08/83/06/495088306.db2.gz FTLRZXILDGHBBQ-IBGZPJMESA-N 2 0 372.557 3.027 20 0 FGADRP CC[C@H]([NH2+]CCCN1CCC[N@H+](C)CC1)c1ccccc1OC(F)F ZINC000128513633 495109011 /nfs/dbraw/zinc/10/90/11/495109011.db2.gz QVAPUSKOLYTHBY-KRWDZBQOSA-N 2 0 355.473 3.356 20 0 FGADRP COc1cc([C@@H](C)[NH2+]CCCN2CCC[N@H+](C)CC2)ccc1SC ZINC000128523503 495110683 /nfs/dbraw/zinc/11/06/83/495110683.db2.gz FLOWDBDMYGJFQO-MRXNPFEDSA-N 2 0 351.560 3.095 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N1CCC([NH2+]C(C)C)CC1)Cc1ccccc1 ZINC000111816515 495115232 /nfs/dbraw/zinc/11/52/32/495115232.db2.gz FNIJAGYOCRRUIT-NRFANRHFSA-N 2 0 374.573 3.112 20 0 FGADRP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)NC2CC[NH+](C3CCCCC3)CC2)C1 ZINC000134185167 495118539 /nfs/dbraw/zinc/11/85/39/495118539.db2.gz SXDKUORIEGIQNV-SFHVURJKSA-N 2 0 364.578 3.061 20 0 FGADRP CCCC[NH+]1CCC(NC(=O)NCCCCC[NH+]2CCCCC2)CC1 ZINC000111848020 495120227 /nfs/dbraw/zinc/12/02/27/495120227.db2.gz XVSOSAPFYLNKJL-UHFFFAOYSA-N 2 0 352.567 3.206 20 0 FGADRP C[C@@H](C(=O)N1CCc2ccccc2C1)[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123403775 495126912 /nfs/dbraw/zinc/12/69/12/495126912.db2.gz LSNWZCICJBDJDF-SFHVURJKSA-N 2 0 357.542 3.014 20 0 FGADRP C[C@H]([NH3+])c1ccc(CNC(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)cc1 ZINC000577605838 505763324 /nfs/dbraw/zinc/76/33/24/505763324.db2.gz XEPJFWLRGRINST-OXJNMPFZSA-N 2 0 358.530 3.303 20 0 FGADRP Cc1ccccc1C[NH+]1CCC(NC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)CC1 ZINC000119396808 495158708 /nfs/dbraw/zinc/15/87/08/495158708.db2.gz FWTUWZAOAIQYEC-SFHVURJKSA-N 2 0 374.573 3.235 20 0 FGADRP C[C@@H](CCc1ccc(F)cc1F)[NH2+]Cc1cccnc1N1CC[NH+](C)CC1 ZINC000571588607 505766832 /nfs/dbraw/zinc/76/68/32/505766832.db2.gz NITYNVQGQYYZIC-INIZCTEOSA-N 2 0 374.479 3.223 20 0 FGADRP C[C@H](C[NH+]1CCCCC1)NC(=O)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000103305560 495217096 /nfs/dbraw/zinc/21/70/96/495217096.db2.gz SLNRUFSMMGIODS-WOJBJXKFSA-N 2 0 364.578 3.014 20 0 FGADRP CC[N@H+](CCNC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1)C(C)C ZINC000103313871 495218572 /nfs/dbraw/zinc/21/85/72/495218572.db2.gz ZFYIBWWLECOGIG-IBGZPJMESA-N 2 0 352.567 3.014 20 0 FGADRP C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N(C)CC[NH+]2CCCC2)C1 ZINC000112742454 495233759 /nfs/dbraw/zinc/23/37/59/495233759.db2.gz AOIYTIYGQCDQIK-IBGZPJMESA-N 2 0 372.557 3.156 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)NC[C@@H]1CCC[N@H+](CC)C1)c1ccccc1 ZINC000105083420 495334720 /nfs/dbraw/zinc/33/47/20/495334720.db2.gz FWMMIAQXOBOFDK-ICSRJNTNSA-N 2 0 360.546 3.101 20 0 FGADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)C1 ZINC000105129869 495339635 /nfs/dbraw/zinc/33/96/35/495339635.db2.gz ZBDGJOLBJQTWGL-CTNGQTDRSA-N 2 0 372.557 3.243 20 0 FGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cc(OC)nc3ccccc23)[C@H](C)C1 ZINC000124869449 495357713 /nfs/dbraw/zinc/35/77/13/495357713.db2.gz FADDNBMVTRHQKK-YLJYHZDGSA-N 2 0 371.525 3.470 20 0 FGADRP Brc1cc2cccnc2c(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC000574457636 505777373 /nfs/dbraw/zinc/77/73/73/505777373.db2.gz RHHOFZKGZNLOFI-GASCZTMLSA-N 2 0 360.299 3.429 20 0 FGADRP C[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)c1cc2ccccc2o1 ZINC000130534653 495406549 /nfs/dbraw/zinc/40/65/49/495406549.db2.gz GFARFGYTQUMJSD-MRXNPFEDSA-N 2 0 350.466 3.430 20 0 FGADRP C[NH+]1CCC(CC[NH2+]C2CCN(C(=O)c3ccc(Cl)cc3)CC2)CC1 ZINC000125425933 495442585 /nfs/dbraw/zinc/44/25/85/495442585.db2.gz NUBNHBYKVBFKOH-UHFFFAOYSA-N 2 0 363.933 3.266 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)NC2CCC(C[NH+](C)C)CC2)C1 ZINC000138124033 495456513 /nfs/dbraw/zinc/45/65/13/495456513.db2.gz QFQHOUZNALPYEN-VCWRXUFXSA-N 2 0 366.594 3.164 20 0 FGADRP O=C(NCc1ccc(C[NH+]2CCCC2)cc1)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000106522016 495461702 /nfs/dbraw/zinc/46/17/02/495461702.db2.gz SRQJNUVBWLFGTO-HXUWFJFHSA-N 2 0 370.541 3.099 20 0 FGADRP c1c[nH]c([C@H](NCc2ccc(CN3CCOCC3)cc2)c2ccccc2)n1 ZINC000125583805 495466216 /nfs/dbraw/zinc/46/62/16/495466216.db2.gz WLZCPDUVJFAKTL-OAQYLSRUSA-N 2 0 362.477 3.121 20 0 FGADRP CCOc1ccc(Cl)cc1[C@H](C)[NH2+]C[C@@H](C)CN1CC[NH+](C)CC1 ZINC000120885035 495477941 /nfs/dbraw/zinc/47/79/41/495477941.db2.gz ADTLCBJDSMGGCD-CVEARBPZSA-N 2 0 353.938 3.273 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N1CCC(CC[NH+](C)C)CC1)c1ccccc1 ZINC000125825399 495504101 /nfs/dbraw/zinc/50/41/01/495504101.db2.gz HQDZUPLMAVCFRF-OAQYLSRUSA-N 2 0 374.573 3.443 20 0 FGADRP CC(C)[NH+]1CCC(NC(=O)C[N@@H+](Cc2ccc(F)cc2)CC2CC2)CC1 ZINC000115561507 495517911 /nfs/dbraw/zinc/51/79/11/495517911.db2.gz AOINKYVECNSJIA-UHFFFAOYSA-N 2 0 361.505 3.027 20 0 FGADRP O=C([C@H]1CCC[N@@H+]1Cc1ccccc1)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000107528314 495528622 /nfs/dbraw/zinc/52/86/22/495528622.db2.gz LDXNMQYVUMPWRJ-LEWJYISDSA-N 2 0 355.526 3.128 20 0 FGADRP CC(C)C[NH+]1CCC(NC(=O)N[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)CC1 ZINC000182386836 495542788 /nfs/dbraw/zinc/54/27/88/495542788.db2.gz MYJLECYPVWXJJG-ROUUACIJSA-N 2 0 364.578 3.059 20 0 FGADRP C[C@H]1C[NH+](CCC2CC[NH+](CCC(=O)c3ccccc3)CC2)C[C@H](C)O1 ZINC000182413706 495554428 /nfs/dbraw/zinc/55/44/28/495554428.db2.gz DJAARKVFUZILIN-OALUTQOASA-N 2 0 358.526 3.471 20 0 FGADRP CC[NH+]1CCN(CCC[NH2+][C@@H](C)[C@@H](C)c2nc3ccccc3s2)CC1 ZINC000154275161 495565091 /nfs/dbraw/zinc/56/50/91/495565091.db2.gz WEPWYLMPTMBDRG-SJORKVTESA-N 2 0 360.571 3.406 20 0 FGADRP C[C@@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000173521680 495571323 /nfs/dbraw/zinc/57/13/23/495571323.db2.gz AXBRTFRYAYLKJC-LJQANCHMSA-N 2 0 365.521 3.485 20 0 FGADRP CCSc1cccc(C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)nc2)c1 ZINC000185461444 495585387 /nfs/dbraw/zinc/58/53/87/495585387.db2.gz BORXFAOEJBTDAG-UHFFFAOYSA-N 2 0 356.539 3.235 20 0 FGADRP C[C@@H]1C[C@H](NC(=O)NCc2ccccc2C[NH+]2CCCCC2)C[N@@H+]1C1CC1 ZINC000154629114 495677390 /nfs/dbraw/zinc/67/73/90/495677390.db2.gz MPAHTIYHRDNKKW-XLIONFOSSA-N 2 0 370.541 3.097 20 0 FGADRP CC[C@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1cc(Cl)ccc1OC ZINC000150955544 495693643 /nfs/dbraw/zinc/69/36/43/495693643.db2.gz KXBQJJXPQRZVRK-SFHVURJKSA-N 2 0 353.938 3.415 20 0 FGADRP C[C@@H](c1nc2ccccc2s1)[C@H](C)[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000150976156 495698822 /nfs/dbraw/zinc/69/88/22/495698822.db2.gz UYOVTQMNSGQLDB-CVEARBPZSA-N 2 0 360.571 3.404 20 0 FGADRP CC[NH+](CC)CCCNC(=O)C1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000150992457 495704727 /nfs/dbraw/zinc/70/47/27/495704727.db2.gz SPSHQWLVCMKIED-UHFFFAOYSA-N 2 0 365.949 3.400 20 0 FGADRP CC(=O)c1ccccc1NC(=O)[C@H](C)N[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185766291 495717899 /nfs/dbraw/zinc/71/78/99/495717899.db2.gz HWFLYORZGUOIAF-SOLBZPMBSA-N 2 0 371.525 3.459 20 0 FGADRP C[C@H](Nc1ccc(N2CCOCC2)cn1)c1cccc(OCC[NH+](C)C)c1 ZINC000182871781 495734619 /nfs/dbraw/zinc/73/46/19/495734619.db2.gz QCROCUGSGXIWCL-KRWDZBQOSA-N 2 0 370.497 3.032 20 0 FGADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)CC(=O)N(C)Cc2ccccc2Cl)C1 ZINC000151127296 495746309 /nfs/dbraw/zinc/74/63/09/495746309.db2.gz XEYQUTZCJKMYRF-DLBZAZTESA-N 2 0 365.949 3.399 20 0 FGADRP C[C@H]([NH2+]Cc1ccccc1C[NH2+][C@@H](C)C1CCOCC1)C1CCOCC1 ZINC000179852047 495759287 /nfs/dbraw/zinc/75/92/87/495759287.db2.gz OMBLQLRPLUOUEY-ROUUACIJSA-N 2 0 360.542 3.496 20 0 FGADRP C[C@@H](NC(=O)N1CCC(CC[NH+](C)C)CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182937360 495765748 /nfs/dbraw/zinc/76/57/48/495765748.db2.gz XUOJHYFMARBGIZ-MJGOQNOKSA-N 2 0 364.578 3.013 20 0 FGADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@@H]1CCCSc2ccc(Cl)cc21 ZINC000155051346 495817889 /nfs/dbraw/zinc/81/78/89/495817889.db2.gz VIDOZRNXVGTSOT-WMLDXEAASA-N 2 0 353.963 3.493 20 0 FGADRP c1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH2+]CCCOC[C@@H]4CCOC4)[C@@H]3C2)cc1 ZINC000183145218 495853197 /nfs/dbraw/zinc/85/31/97/495853197.db2.gz OMNAKIGIJQXZPK-GPJHCHHRSA-N 2 0 372.553 3.320 20 0 FGADRP C[C@H](C[NH+]1CCCCCC1)NC(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000186118182 495861634 /nfs/dbraw/zinc/86/16/34/495861634.db2.gz MPBGAGCMAWYGMX-GOSISDBHSA-N 2 0 352.567 3.014 20 0 FGADRP Cc1nn(C)c(C)c1C[NH2+]CCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000176984795 495871028 /nfs/dbraw/zinc/87/10/28/495871028.db2.gz HMAQBPNUBGESHJ-UHFFFAOYSA-N 2 0 370.541 3.198 20 0 FGADRP C[C@H](CCNC(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21)[NH+](C)Cc1ccccc1 ZINC000183187280 495872907 /nfs/dbraw/zinc/87/29/07/495872907.db2.gz DGKWFCDUAWADFE-NRSPTQNISA-N 2 0 372.557 3.023 20 0 FGADRP OC1(C[NH2+][C@H]2CCN(Cc3ccccc3)C3(CC3)C2)Cc2ccccc2C1 ZINC000577869162 505809256 /nfs/dbraw/zinc/80/92/56/505809256.db2.gz YAKXNWOXZAOLOI-QFIPXVFZSA-N 2 0 362.517 3.303 20 0 FGADRP Cc1ccccc1[C@@H]1C[C@@H](C)[N@H+](CC(=O)NC2CC[NH+](C(C)C)CC2)C1 ZINC000155229823 495883064 /nfs/dbraw/zinc/88/30/64/495883064.db2.gz HEUYLGKFNPNHTD-RTBURBONSA-N 2 0 357.542 3.162 20 0 FGADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CC[C@H](C[NH+]3CCCC3)C2)C1 ZINC000174253710 495883456 /nfs/dbraw/zinc/88/34/56/495883456.db2.gz AEOHLHHDRAMEQS-RTBURBONSA-N 2 0 364.578 3.014 20 0 FGADRP COc1ccccc1-c1ccc(C[NH2+]C2CCN(CC[NH+](C)C)CC2)cc1 ZINC000174262942 495885583 /nfs/dbraw/zinc/88/55/83/495885583.db2.gz BHJBEAORSOFEAM-UHFFFAOYSA-N 2 0 367.537 3.478 20 0 FGADRP C[C@@H]1C[C@H]([NH2+]CCC(=O)NC2CCCCC2)CCN1Cc1ccccc1 ZINC000580670059 505810007 /nfs/dbraw/zinc/81/00/07/505810007.db2.gz QJDZFQGPJDJYQU-WIYYLYMNSA-N 2 0 357.542 3.468 20 0 FGADRP C[C@@H](C[NH2+][C@H](Cc1cccnc1)c1ccc(Cl)cc1)N1CC[NH+](C)CC1 ZINC000568937597 505812168 /nfs/dbraw/zinc/81/21/68/505812168.db2.gz IZBYWZUCJAREII-LAUBAEHRSA-N 2 0 372.944 3.244 20 0 FGADRP O=C(N[C@@H](C[NH+]1CCCC1)c1ccccc1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000171622755 495952956 /nfs/dbraw/zinc/95/29/56/495952956.db2.gz YQJVSZSUZTXJKO-SFTDATJTSA-N 2 0 370.541 3.093 20 0 FGADRP CC(C)Cn1cc(C[NH+]2CCC(CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cn1 ZINC000183392345 495960886 /nfs/dbraw/zinc/96/08/86/495960886.db2.gz BYVNSKMFLKCRBY-KDURUIRLSA-N 2 0 362.562 3.250 20 0 FGADRP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC000155466564 495965712 /nfs/dbraw/zinc/96/57/12/495965712.db2.gz FOIMJCONBPGDNS-KRWDZBQOSA-N 2 0 366.509 3.099 20 0 FGADRP C[C@@H]([NH2+]CCCN1CCC[N@H+](C)CC1)c1ccc(Br)cc1 ZINC000177302823 496011425 /nfs/dbraw/zinc/01/14/25/496011425.db2.gz GWXIQNDHOBURJD-OAHLLOKOSA-N 2 0 354.336 3.127 20 0 FGADRP C[NH+](C)Cc1cccc(C(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000155739293 496052543 /nfs/dbraw/zinc/05/25/43/496052543.db2.gz SMVJVRJEDVGAAX-NRFANRHFSA-N 2 0 351.494 3.143 20 0 FGADRP CC(C)[N@H+](C)Cc1cccc(CNC(=O)Cc2cn3ccccc3n2)c1 ZINC000171852613 496063717 /nfs/dbraw/zinc/06/37/17/496063717.db2.gz DJTVHBPEAHPLQE-UHFFFAOYSA-N 2 0 350.466 3.033 20 0 FGADRP CC(C)[NH2+]C1CCN(C(=O)NCC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000171904696 496085689 /nfs/dbraw/zinc/08/56/89/496085689.db2.gz ZFJVMAIMUTVEMS-UHFFFAOYSA-N 2 0 372.557 3.071 20 0 FGADRP Cc1nc2ccccc2n1CCC[NH2+][C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@@H]1C ZINC000155894983 496099737 /nfs/dbraw/zinc/09/97/37/496099737.db2.gz PQESONPEDMKKRN-YSIASYRMSA-N 2 0 370.541 3.214 20 0 FGADRP CC(C)[NH+]1CCC(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC000174782433 496104321 /nfs/dbraw/zinc/10/43/21/496104321.db2.gz KDZIXEKGXUYMGT-FRIKZZABSA-N 2 0 369.553 3.419 20 0 FGADRP CC(C)(C)[NH+]1CCC([NH2+]CCc2ccc(OCC(F)(F)F)nc2)CC1 ZINC000186750692 496134911 /nfs/dbraw/zinc/13/49/11/496134911.db2.gz ZGOLKZQZRIMICH-UHFFFAOYSA-N 2 0 359.436 3.418 20 0 FGADRP COc1cccc(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)c1OC ZINC000180798366 496151876 /nfs/dbraw/zinc/15/18/76/496151876.db2.gz IDWUSBHZPUVBLH-UHFFFAOYSA-N 2 0 362.514 3.028 20 0 FGADRP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC000174949569 496178500 /nfs/dbraw/zinc/17/85/00/496178500.db2.gz VEPJYGVCUFUWES-NRFANRHFSA-N 2 0 365.521 3.342 20 0 FGADRP CCC[NH+]1CCC([NH2+]C2CCN(C(=O)c3ccccc3Cl)CC2)CC1 ZINC000161587683 496203736 /nfs/dbraw/zinc/20/37/36/496203736.db2.gz QFPFYQGNKLADLR-UHFFFAOYSA-N 2 0 363.933 3.409 20 0 FGADRP C[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)c1cc(F)c(F)c(F)c1 ZINC000177826724 496212928 /nfs/dbraw/zinc/21/29/28/496212928.db2.gz ZGKGOGQYVYXGBE-ZDUSSCGKSA-N 2 0 364.415 3.102 20 0 FGADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000177846146 496221270 /nfs/dbraw/zinc/22/12/70/496221270.db2.gz VPGRAIPIQFJDEO-NRFANRHFSA-N 2 0 372.557 3.156 20 0 FGADRP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000156469978 496253258 /nfs/dbraw/zinc/25/32/58/496253258.db2.gz GVYWGDUFYTVRHB-PMACEKPBSA-N 2 0 364.578 3.301 20 0 FGADRP COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]C1CC[NH+](CC2CC2)CC1)CC3 ZINC000184147570 496258098 /nfs/dbraw/zinc/25/80/98/496258098.db2.gz YJDMXNXFCATXPO-QGZVFWFLSA-N 2 0 353.510 3.498 20 0 FGADRP C[N@H+](CCCN1CC[NH+](C)CC1)Cc1ccccc1OCc1ccccc1 ZINC000577986835 505834704 /nfs/dbraw/zinc/83/47/04/505834704.db2.gz QJSUXWHVYAIOET-UHFFFAOYSA-N 2 0 367.537 3.335 20 0 FGADRP O=C(c1ccccc1CC1CC[NH2+]CC1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000580776169 505835954 /nfs/dbraw/zinc/83/59/54/505835954.db2.gz NWSLADSHRTWPIP-NRFANRHFSA-N 2 0 369.553 3.319 20 0 FGADRP C[NH+]1CCN(c2cc(C[NH2+][C@@H]3CC(C)(C)c4ccccc43)ccn2)CC1 ZINC000178120113 496337339 /nfs/dbraw/zinc/33/73/39/496337339.db2.gz JWPFHJMWOINXFE-HXUWFJFHSA-N 2 0 350.510 3.346 20 0 FGADRP CC[C@H](C(=O)N1CCC(C[NH+](C)C(C)C)CC1)[N@H+](C)Cc1ccccc1 ZINC000569055733 505839538 /nfs/dbraw/zinc/83/95/38/505839538.db2.gz PNOKCUPFKHIFEL-OAQYLSRUSA-N 2 0 359.558 3.476 20 0 FGADRP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(C[NH2+][C@@H]3CCC[C@H](C4CC4)C3)c2)C1 ZINC000156944680 496370843 /nfs/dbraw/zinc/37/08/43/496370843.db2.gz IIVOKDYYIHRJHV-BHDDXSALSA-N 2 0 369.553 3.442 20 0 FGADRP CC[C@H](CSc1ccc(Cl)cc1)[NH2+]CCCN1CC[NH+](C)CC1 ZINC000162569771 496375671 /nfs/dbraw/zinc/37/56/71/496375671.db2.gz SYOJYLCGLGFAFK-QGZVFWFLSA-N 2 0 355.979 3.438 20 0 FGADRP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1ccc(OC(C)(C)C)cc1 ZINC000157015857 496386374 /nfs/dbraw/zinc/38/63/74/496386374.db2.gz GEJAIPYAKWGOEP-WMZOPIPTSA-N 2 0 361.530 3.102 20 0 FGADRP C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]CCC[NH+]1CCCC1 ZINC000178411650 496446673 /nfs/dbraw/zinc/44/66/73/496446673.db2.gz PKBGPQBLLAOZNY-MRXNPFEDSA-N 2 0 351.922 3.153 20 0 FGADRP C[C@@H](CCNC(=O)N1CC[C@H](C[NH+]2CCCC2)C1)[N@H+](C)Cc1ccccc1 ZINC000175632707 496473465 /nfs/dbraw/zinc/47/34/65/496473465.db2.gz QPMXMEOFRVVTHF-PZJWPPBQSA-N 2 0 372.557 3.024 20 0 FGADRP Cc1cccc(N2CC[NH+](CCCC[NH2+][C@H](C)CCn3cccn3)CC2)c1 ZINC000157543571 496500781 /nfs/dbraw/zinc/50/07/81/496500781.db2.gz XDIZFARTHHVJMB-OAQYLSRUSA-N 2 0 369.557 3.162 20 0 FGADRP Cc1cc(NC(=O)CC[NH2+]C2[C@H](C)C[NH+](Cc3ccccc3)C[C@H]2C)no1 ZINC000184747446 496516910 /nfs/dbraw/zinc/51/69/10/496516910.db2.gz CHBYDYVLUIBSCD-HZPDHXFCSA-N 2 0 370.497 3.058 20 0 FGADRP C[C@@H]([NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1)c1ccc(F)cc1F ZINC000163506716 496525437 /nfs/dbraw/zinc/52/54/37/496525437.db2.gz DCPWOUCUHDHPMD-CQSZACIVSA-N 2 0 367.484 3.242 20 0 FGADRP C[C@H](C(=O)NC1CC[NH+](CCc2ccccc2)CC1)[C@H]([NH3+])c1ccccc1 ZINC000178688541 496541441 /nfs/dbraw/zinc/54/14/41/496541441.db2.gz DGDIAPSDFQPGGB-AVRDEDQJSA-N 2 0 365.521 3.146 20 0 FGADRP C[C@H](CCNC(=O)NCCCC[N@@H+]1CCCC[C@H]1C)[NH+]1CCCCC1 ZINC000184844309 496553987 /nfs/dbraw/zinc/55/39/87/496553987.db2.gz AHFGJIALPXGYND-RTBURBONSA-N 2 0 352.567 3.205 20 0 FGADRP C[NH+]1CCN(c2cc(C[NH2+][C@H]3CC[C@@](C)(c4ccccc4)C3)ccn2)CC1 ZINC000187781356 496568564 /nfs/dbraw/zinc/56/85/64/496568564.db2.gz UWQUXKKSOUFKOP-JTHBVZDNSA-N 2 0 364.537 3.433 20 0 FGADRP CCCC[NH+]1CCC([NH2+][C@@H](C)CC(=O)Nc2cccnc2Cl)CC1 ZINC000164439901 496611766 /nfs/dbraw/zinc/61/17/66/496611766.db2.gz FXHQDRZXOHZEKE-AWEZNQCLSA-N 2 0 352.910 3.306 20 0 FGADRP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000164526318 496616484 /nfs/dbraw/zinc/61/64/84/496616484.db2.gz PPXPEQRQPWTHHQ-WOJBJXKFSA-N 2 0 357.542 3.278 20 0 FGADRP CC[NH+](CC)Cc1cccc(CNC(=O)[C@@H]2[NH2+]CCc3ccccc32)c1 ZINC000164746964 496630934 /nfs/dbraw/zinc/63/09/34/496630934.db2.gz LEJKPLSYQAFCLE-OAQYLSRUSA-N 2 0 351.494 3.032 20 0 FGADRP O=C(NCCC[NH2+]C1CCCCC1)NC1CC[NH+](C2CCCC2)CC1 ZINC000176009567 496641909 /nfs/dbraw/zinc/64/19/09/496641909.db2.gz ZXCWNTBEKRPWSM-UHFFFAOYSA-N 2 0 350.551 3.005 20 0 FGADRP CCCN(C(=O)CC1CC[NH2+]CC1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000165495685 496660091 /nfs/dbraw/zinc/66/00/91/496660091.db2.gz LSIKZOGYXDLWCD-OAQYLSRUSA-N 2 0 357.542 3.279 20 0 FGADRP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000158260358 496662380 /nfs/dbraw/zinc/66/23/80/496662380.db2.gz ZGSBATQOVPGBDV-SJORKVTESA-N 2 0 364.555 3.395 20 0 FGADRP CC1CC[NH+]([C@@H](CNC(=O)[C@H]([NH3+])Cc2ccccc2)c2ccccc2)CC1 ZINC000165724977 496667238 /nfs/dbraw/zinc/66/72/38/496667238.db2.gz ATEKFWGIOLNENR-YADHBBJMSA-N 2 0 365.521 3.146 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)[C@H](C)C[NH2+]C)c1ccc(C(F)(F)F)cc1 ZINC000166245315 496681419 /nfs/dbraw/zinc/68/14/19/496681419.db2.gz ZKLOQLPJIZZFLW-CJNGLKHVSA-N 2 0 359.436 3.060 20 0 FGADRP Cc1ccc([C@@H](CNC(=O)C[C@@H](C)C2CC[NH2+]CC2)[NH+]2CCCC2)cc1 ZINC000166329179 496683894 /nfs/dbraw/zinc/68/38/94/496683894.db2.gz RXACMQFGWZRBOB-WIYYLYMNSA-N 2 0 357.542 3.274 20 0 FGADRP C[C@@H](CC(=O)Nc1cccc(N2CCCC2)c1)[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000166444995 496686751 /nfs/dbraw/zinc/68/67/51/496686751.db2.gz AMLNBXHDIKTKSJ-HFSMHLIXSA-N 2 0 370.541 3.220 20 0 FGADRP COc1ccc([C@@H](C)[NH2+]Cc2cccnc2N2CC[NH+](C)CC2)cc1Cl ZINC000158462137 496707100 /nfs/dbraw/zinc/70/71/00/496707100.db2.gz SFEDJBAUVFGEOX-OAHLLOKOSA-N 2 0 374.916 3.346 20 0 FGADRP CC(C)O[C@H]1C[C@@H]([NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)C1(C)C ZINC000185235192 496713427 /nfs/dbraw/zinc/71/34/27/496713427.db2.gz UYGLZCYLJPXGRS-RTWAWAEBSA-N 2 0 360.542 3.325 20 0 FGADRP C[C@@H](NC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182345144 496730660 /nfs/dbraw/zinc/73/06/60/496730660.db2.gz ZWPMNHHKSFJTDA-CVEARBPZSA-N 2 0 364.578 3.248 20 0 FGADRP COc1cccc2c1CCC[C@H]2[NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000194843487 496733143 /nfs/dbraw/zinc/73/31/43/496733143.db2.gz FGFNIEMAXNJGNT-HXUWFJFHSA-N 2 0 366.509 3.009 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1)c1ccsc1 ZINC000246987285 496742768 /nfs/dbraw/zinc/74/27/68/496742768.db2.gz KAVBJNBAUZAEBT-KZNAEPCWSA-N 2 0 366.575 3.303 20 0 FGADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)NCCCC[NH+]2C[C@H](C)C[C@@H](C)C2)C1 ZINC000247003883 496748525 /nfs/dbraw/zinc/74/85/25/496748525.db2.gz GXNMOTKQJANWMV-VAMGGRTRSA-N 2 0 366.594 3.022 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1)c1ccsc1 ZINC000247007990 496750556 /nfs/dbraw/zinc/75/05/56/496750556.db2.gz RPMAIBMJRYADFO-UWWQBHOKSA-N 2 0 364.559 3.055 20 0 FGADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CCC[C@H]2c2ccc3c(c2)OCCO3)CC1 ZINC000191408350 496753299 /nfs/dbraw/zinc/75/32/99/496753299.db2.gz KWXSTAPGRNAQKT-FQEVSTJZSA-N 2 0 373.541 3.011 20 0 FGADRP O=C(NC1CC[NH+](CC2CC2)CC1)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000194923659 496761205 /nfs/dbraw/zinc/76/12/05/496761205.db2.gz DVJBTNXQDZYJIB-IBGZPJMESA-N 2 0 373.516 3.028 20 0 FGADRP COc1ccc(Cl)cc1N1CC[C@H]([NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)C1 ZINC000247061996 496766561 /nfs/dbraw/zinc/76/65/61/496766561.db2.gz PONDWBPJYRNQDB-YQFWSFKMSA-N 2 0 351.922 3.246 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H]1CCN(CC(F)(F)F)C1 ZINC000268748904 496772431 /nfs/dbraw/zinc/77/24/31/496772431.db2.gz BQNNFMYYMBYKAN-QRQLOZEOSA-N 2 0 369.475 3.371 20 0 FGADRP COc1ccc2c(c1)[C@H]([NH2+]C[C@@H](C(C)C)N1CC[NH+](C)CC1)CCS2 ZINC000191492981 496782328 /nfs/dbraw/zinc/78/23/28/496782328.db2.gz HQNZXIHGFIIYMZ-MOPGFXCFSA-N 2 0 363.571 3.094 20 0 FGADRP C[C@@H](CNC(=O)c1ccccc1CC1CC[NH2+]CC1)[N@@H+]1CCCC[C@H]1C ZINC000572003806 505867144 /nfs/dbraw/zinc/86/71/44/505867144.db2.gz SKFVRWUXVBYAOU-MSOLQXFVSA-N 2 0 357.542 3.221 20 0 FGADRP C[C@H](CNC(=O)c1ccccc1CC1CC[NH2+]CC1)[N@@H+]1CCCC[C@H]1C ZINC000572003945 505867307 /nfs/dbraw/zinc/86/73/07/505867307.db2.gz SKFVRWUXVBYAOU-QZTJIDSGSA-N 2 0 357.542 3.221 20 0 FGADRP COCCC[C@@H](C)[NH2+]Cc1cccc(OCC[N@H+](C)C2CCOCC2)c1 ZINC000268872888 496810118 /nfs/dbraw/zinc/81/01/18/496810118.db2.gz UXRLKMPIEKVVJR-GOSISDBHSA-N 2 0 364.530 3.081 20 0 FGADRP COc1ccc(NC(=O)CC[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)cc1Cl ZINC000268893105 496815994 /nfs/dbraw/zinc/81/59/94/496815994.db2.gz MBBPNXJSVCVSKW-YOEHRIQHSA-N 2 0 365.905 3.093 20 0 FGADRP CCC[N@H+](CCCN1CC[NH+](C(C)C)CC1)[C@@H](C)C(=O)Nc1ccccc1 ZINC000191567130 496816446 /nfs/dbraw/zinc/81/64/46/496816446.db2.gz NLBIUYBWOYVDBP-FQEVSTJZSA-N 2 0 374.573 3.142 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N1CC[C@@H](C[N@@H+](C)CC)C1)c1ccsc1 ZINC000247313272 496831515 /nfs/dbraw/zinc/83/15/15/496831515.db2.gz KECHYYFNYGUTMM-FUHWJXTLSA-N 2 0 366.575 3.114 20 0 FGADRP C[C@@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+]CCCC[NH+](C)C ZINC000268986882 496842531 /nfs/dbraw/zinc/84/25/31/496842531.db2.gz IXMOTWNOCXRFGY-ZDUSSCGKSA-N 2 0 361.408 3.234 20 0 FGADRP C[NH+](C)C1CCN(c2ccc(NCC3=Cc4ccccc4OC3)nc2)CC1 ZINC000269168924 496885387 /nfs/dbraw/zinc/88/53/87/496885387.db2.gz YCKDCHHUSMJTGW-UHFFFAOYSA-N 2 0 364.493 3.500 20 0 FGADRP CC(C)(C)[NH+]1CCC(NC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1 ZINC000191831413 496903688 /nfs/dbraw/zinc/90/36/88/496903688.db2.gz MPUGYQTZQMSXAM-OAQYLSRUSA-N 2 0 359.558 3.130 20 0 FGADRP CC1(C)CCC[C@H]1[NH2+]CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000191859171 496913108 /nfs/dbraw/zinc/91/31/08/496913108.db2.gz SSQRNEYRUSOMLG-GOSISDBHSA-N 2 0 361.555 3.342 20 0 FGADRP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)c1ccc(F)c(Br)c1 ZINC000247949168 496931254 /nfs/dbraw/zinc/93/12/54/496931254.db2.gz DVHCQYXRHMHFJY-ZFWWWQNUSA-N 2 0 373.310 3.476 20 0 FGADRP C[C@H](C(=O)Nc1ccccc1OC(F)F)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000247960506 496933836 /nfs/dbraw/zinc/93/38/36/496933836.db2.gz GDOOZTSYRQKHEX-YCPHGPKFSA-N 2 0 367.440 3.031 20 0 FGADRP CC(C)COC[C@H](O)C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000248198229 496971860 /nfs/dbraw/zinc/97/18/60/496971860.db2.gz XTXGMKOZSAVOCA-BDTNDASRSA-N 2 0 360.542 3.006 20 0 FGADRP CC(C)COC[C@H](O)C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000248198233 496971966 /nfs/dbraw/zinc/97/19/66/496971966.db2.gz XTXGMKOZSAVOCA-VSKRKVRLSA-N 2 0 360.542 3.006 20 0 FGADRP C[C@@H](C[NH2+][C@@H]1CCN(Cc2ccccn2)C[C@H]1C)N(C)Cc1ccccc1 ZINC000248201567 496972695 /nfs/dbraw/zinc/97/26/95/496972695.db2.gz YXHUZGOZXVVCOC-ZRCGQRJVSA-N 2 0 366.553 3.402 20 0 FGADRP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC000269678362 496988668 /nfs/dbraw/zinc/98/86/68/496988668.db2.gz ZGLMWPORJZTJNM-DYESRHJHSA-N 2 0 370.541 3.130 20 0 FGADRP CC[NH+]1CCN([C@@H](C)C[NH2+]Cc2cc(Cl)cc(C(F)(F)F)c2)CC1 ZINC000189042047 496988915 /nfs/dbraw/zinc/98/89/15/496988915.db2.gz JEHJOVAUFXTFDK-ZDUSSCGKSA-N 2 0 363.855 3.474 20 0 FGADRP C[C@H](CNC(=O)N[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)C[NH+]1CCCCC1 ZINC000248407637 496999709 /nfs/dbraw/zinc/99/97/09/496999709.db2.gz UOFSFQPHQXNTHU-QRVBRYPASA-N 2 0 364.578 3.061 20 0 FGADRP c1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH2+]CCCO[C@H]4CCOC4)[C@@H]3C2)cc1 ZINC000248411145 497000999 /nfs/dbraw/zinc/00/09/99/497000999.db2.gz YWBAAWLCCCKGRQ-KJJMTIBFSA-N 2 0 358.526 3.072 20 0 FGADRP CN(C)[C@H](C[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)c1ccco1 ZINC000248412952 497002237 /nfs/dbraw/zinc/00/22/37/497002237.db2.gz KLENGEUVPGBRHN-DOIPELPJSA-N 2 0 353.510 3.383 20 0 FGADRP OC[C@@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 ZINC000248442763 497012763 /nfs/dbraw/zinc/01/27/63/497012763.db2.gz LBQGOBCCJWYXJT-FNAHDJPLSA-N 2 0 370.537 3.081 20 0 FGADRP COc1ccc([C@@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CC[C@@H](O)C2)c(F)c1 ZINC000248461630 497020181 /nfs/dbraw/zinc/02/01/81/497020181.db2.gz XROAAMVOYQRXNZ-CRAIPNDOSA-N 2 0 358.457 3.252 20 0 FGADRP Cc1c([C@@H](C)[NH2+]CC2CC[NH+](C3CC3)CC2)nnn1-c1ccc(F)cc1 ZINC000278180511 497029296 /nfs/dbraw/zinc/02/92/96/497029296.db2.gz BMGBYLWJJUYUBU-CQSZACIVSA-N 2 0 357.477 3.240 20 0 FGADRP C[C@@H]([NH2+]C1(CNC(=O)NC2CC[NH+](C)CC2)CCCC1)c1ccccc1 ZINC000265060683 497039468 /nfs/dbraw/zinc/03/94/68/497039468.db2.gz WHKQSYYHTGNLKG-QGZVFWFLSA-N 2 0 358.530 3.043 20 0 FGADRP C[NH+]1CCN(Cc2ccc(C[NH2+]C3CCC4(CCCO4)CC3)cc2)CC1 ZINC000572064292 505880853 /nfs/dbraw/zinc/88/08/53/505880853.db2.gz IMRLRYBGRQUTOJ-UHFFFAOYSA-N 2 0 357.542 3.015 20 0 FGADRP C[NH+]1CCC([C@H]2CCN(C(=O)c3cccc(C[NH+]4CCCC4)c3)C2)CC1 ZINC000270216708 497079157 /nfs/dbraw/zinc/07/91/57/497079157.db2.gz MBJLTXZXUNSPSC-NRFANRHFSA-N 2 0 355.526 3.086 20 0 FGADRP C[NH+]1CCC([C@@H]2CCN(C(=O)c3cccc(C[NH+]4CCCC4)c3)C2)CC1 ZINC000270216710 497079241 /nfs/dbraw/zinc/07/92/41/497079241.db2.gz MBJLTXZXUNSPSC-OAQYLSRUSA-N 2 0 355.526 3.086 20 0 FGADRP COc1cc([C@@H](C)[NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)ccc1OC(F)F ZINC000278371220 497091400 /nfs/dbraw/zinc/09/14/00/497091400.db2.gz BXCLYNHXNDZCCE-LSDHHAIUSA-N 2 0 372.456 3.448 20 0 FGADRP C[C@@H]1C[N@@H+](Cc2ccccc2C[NH2+][C@H]2[C@H]3CCO[C@H]3C23CCC3)C[C@H](C)O1 ZINC000248741478 497095317 /nfs/dbraw/zinc/09/53/17/497095317.db2.gz QYRUXWJFDDHRIH-PNBTUHDLSA-N 2 0 370.537 3.343 20 0 FGADRP C[C@H]1CCCC[N@@H+]1CCCNC(=O)NC[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000248761833 497100234 /nfs/dbraw/zinc/10/02/34/497100234.db2.gz QSOUGYXQNGIWSL-PZJWPPBQSA-N 2 0 372.557 3.072 20 0 FGADRP CCCC[N@H+](C)CC1CCN(C(=O)C2(c3ccccc3)CC[NH2+]CC2)CC1 ZINC000236710163 497135863 /nfs/dbraw/zinc/13/58/63/497135863.db2.gz VULHLDVQDPJHEL-UHFFFAOYSA-N 2 0 371.569 3.278 20 0 FGADRP CCCN(C(=O)[C@@H]1CC12CC[NH2+]CC2)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000236756199 497141872 /nfs/dbraw/zinc/14/18/72/497141872.db2.gz RFLPHAZBGKUGLE-SFTDATJTSA-N 2 0 369.553 3.279 20 0 FGADRP O=C(C1CC[NH+](Cc2ccccc2)CC1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000265647805 497153130 /nfs/dbraw/zinc/15/31/30/497153130.db2.gz KOVZQXNZMTWBCD-QFIPXVFZSA-N 2 0 369.553 3.376 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)[C@]1(C)CC[NH2+]C1)c1ccc(C(F)(F)F)cc1 ZINC000236837531 497153990 /nfs/dbraw/zinc/15/39/90/497153990.db2.gz PUHSTVBWYQJWEY-FUHWJXTLSA-N 2 0 371.447 3.204 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)C[C@H](C)[C@@H]1CCC[NH2+]C1)c1ccsc1 ZINC000236877838 497161874 /nfs/dbraw/zinc/16/18/74/497161874.db2.gz BYGPTSFLFZTTDP-LZLYRXPVSA-N 2 0 351.560 3.273 20 0 FGADRP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1ccc(C[NH3+])cc1 ZINC000236896274 497164620 /nfs/dbraw/zinc/16/46/20/497164620.db2.gz JXHIBUHKKFOQRX-HXUWFJFHSA-N 2 0 351.494 3.130 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H](O)COCc1cccs1 ZINC000274786514 497164868 /nfs/dbraw/zinc/16/48/68/497164868.db2.gz AYNSXZVIMHZJKB-YFVAEKQCSA-N 2 0 374.550 3.126 20 0 FGADRP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C1CC[NH+](C2CC2)CC1 ZINC000192640361 497172133 /nfs/dbraw/zinc/17/21/33/497172133.db2.gz DUGIIIDCUXAZSV-HXUWFJFHSA-N 2 0 369.553 3.231 20 0 FGADRP CCc1ccc([C@H](CNC(=O)[C@H](C)[C@@H]([NH3+])c2ccccc2)[NH+](C)C)cc1 ZINC000236980726 497175504 /nfs/dbraw/zinc/17/55/04/497175504.db2.gz NLGOACRRVNVQOD-TYCQWZJGSA-N 2 0 353.510 3.304 20 0 FGADRP C[C@H]([NH2+]Cc1cccnc1-n1cccn1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274889964 497191092 /nfs/dbraw/zinc/19/10/92/497191092.db2.gz JFQCWHRHYAOOIH-RXVVDRJESA-N 2 0 361.493 3.268 20 0 FGADRP C[C@@H]([NH2+]Cc1cccnc1-n1ccnc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274905867 497196205 /nfs/dbraw/zinc/19/62/05/497196205.db2.gz MDWWYBIXORAJJE-NQIIRXRSSA-N 2 0 361.493 3.268 20 0 FGADRP C[C@@H]1CCN(C(=O)C[C@H]([NH3+])c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000237371713 497227140 /nfs/dbraw/zinc/22/71/40/497227140.db2.gz CZAVHICKYMDICK-NQIIRXRSSA-N 2 0 351.494 3.200 20 0 FGADRP C[C@@H](CC(=O)Nc1ccc2ccn(CC[NH+](C)C)c2c1)[C@H]1CCC[NH2+]C1 ZINC000237382038 497228723 /nfs/dbraw/zinc/22/87/23/497228723.db2.gz ODQNECRPGSYMDA-WMZOPIPTSA-N 2 0 356.514 3.167 20 0 FGADRP NC(=O)[C@H]1CCC[N@H+](Cc2cccc(C[NH2+][C@@H]3CCCc4occc43)c2)C1 ZINC000192846397 497229643 /nfs/dbraw/zinc/22/96/43/497229643.db2.gz RIIZVJIKIYXPDJ-AZUAARDMSA-N 2 0 367.493 3.144 20 0 FGADRP CCO[C@@H]1C[C@](CO)([NH2+]C2CC[NH+]([C@H]3CCC[C@H](C)C3)CC2)C1(C)C ZINC000249767693 497244790 /nfs/dbraw/zinc/24/47/90/497244790.db2.gz ITOSWVYHMBIQKQ-XFIJJGBISA-N 2 0 352.563 3.185 20 0 FGADRP C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)C2(c3ccccc3)CC[NH2+]CC2)C1 ZINC000237704072 497278117 /nfs/dbraw/zinc/27/81/17/497278117.db2.gz RLBMOKUKTLQYHW-PMACEKPBSA-N 2 0 371.569 3.182 20 0 FGADRP c1cnn([C@@H]2CCCC[C@@H]2[NH2+]CCC[NH2+][C@H]2CCCC[C@H]2n2cccn2)c1 ZINC000251682743 497280928 /nfs/dbraw/zinc/28/09/28/497280928.db2.gz NSDLMROVQLUZEE-UWHLTILDSA-N 2 0 370.545 3.317 20 0 FGADRP Cc1cccc(C[NH+]2CCC(NC(=O)C[C@H]([NH3+])c3ccccc3)CC2)c1 ZINC000237941653 497317297 /nfs/dbraw/zinc/31/72/97/497317297.db2.gz OKCUPPZCBIGFRZ-NRFANRHFSA-N 2 0 351.494 3.166 20 0 FGADRP [NH3+]Cc1ccc(C(=O)NC[C@@H](c2cccc(Cl)c2)[NH+]2CCCC2)cc1 ZINC000237971389 497321242 /nfs/dbraw/zinc/32/12/42/497321242.db2.gz KLGBYNUMZOFCFL-IBGZPJMESA-N 2 0 357.885 3.366 20 0 FGADRP C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)CCc2ncc[nH]2)C1 ZINC000279183066 497359370 /nfs/dbraw/zinc/35/93/70/497359370.db2.gz KLEHAURVZFIVDE-IRXDYDNUSA-N 2 0 354.498 3.137 20 0 FGADRP C[C@H](C(=O)NCC1CC[NH+](Cc2ccccc2)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000245203169 497376804 /nfs/dbraw/zinc/37/68/04/497376804.db2.gz ZZNZRWVUJLGNJP-CEXWTWQISA-N 2 0 357.542 3.276 20 0 FGADRP CC(C)COC(=O)N1CCC([NH2+]CC2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000271542651 497378047 /nfs/dbraw/zinc/37/80/47/497378047.db2.gz PPGMSSPXHPKLJX-UHFFFAOYSA-N 2 0 374.529 3.145 20 0 FGADRP C[NH+](C)CCc1ccccc1NC(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000275614047 497382855 /nfs/dbraw/zinc/38/28/55/497382855.db2.gz IRQXVSWOFXSTPW-KRWDZBQOSA-N 2 0 360.527 3.277 20 0 FGADRP C[NH+](C)CCc1ccccc1NC(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000275738341 497418141 /nfs/dbraw/zinc/41/81/41/497418141.db2.gz YIWVOGYOSIEMFO-FQEVSTJZSA-N 2 0 368.525 3.085 20 0 FGADRP CCCN(C(=O)CC[C@@H]1CC[NH2+]C1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000261677049 497432432 /nfs/dbraw/zinc/43/24/32/497432432.db2.gz BCOSEIXRQKQMIZ-TZIWHRDSSA-N 2 0 357.542 3.279 20 0 FGADRP COc1ccc([C@@H](C)C[NH+]2CCC(N3CC[NH+](C(C)C)CC3)CC2)cc1 ZINC000271741474 497434546 /nfs/dbraw/zinc/43/45/46/497434546.db2.gz AAXPLDIBBUBTST-IBGZPJMESA-N 2 0 359.558 3.289 20 0 FGADRP C[C@@H](C(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1)[C@H]([NH3+])c1ccccc1 ZINC000261848907 497461220 /nfs/dbraw/zinc/46/12/20/497461220.db2.gz WMDFNLPKYVILBI-GCJKJVERSA-N 2 0 365.521 3.446 20 0 FGADRP C[C@H]([NH2+]C[C@H]1C[C@@H](O)CN1Cc1ccccc1)c1ccccc1N(C)C ZINC000245609134 497473026 /nfs/dbraw/zinc/47/30/26/497473026.db2.gz RZVZHPYJSSLEFT-DFQSSKMNSA-N 2 0 353.510 3.039 20 0 FGADRP c1c(CN2CC[C@]3(CC[NH2+]C3)C2)c(-c2cccnc2)nn1Cc1ccccc1 ZINC000261951837 497481728 /nfs/dbraw/zinc/48/17/28/497481728.db2.gz GADHHFFEUAMWAY-QHCPKHFHSA-N 2 0 373.504 3.179 20 0 FGADRP C[NH2+]CCC1CC[NH+]([C@@H](C)C(=O)N[C@H](C)c2ccc3c(c2)CCCC3)CC1 ZINC000261996041 497489398 /nfs/dbraw/zinc/48/93/98/497489398.db2.gz NSZPHMQOSOBIPE-MSOLQXFVSA-N 2 0 371.569 3.453 20 0 FGADRP C[C@@]1(C[NH+]2CCC(C(=O)Nc3ccc(F)c(Cl)c3)CC2)CC[NH2+]C1 ZINC000262047067 497498834 /nfs/dbraw/zinc/49/88/34/497498834.db2.gz PTQPICWLTPKBCQ-GOSISDBHSA-N 2 0 353.869 3.129 20 0 FGADRP COC(=O)[C@H]1CC[C@@H]([NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000193887646 497511364 /nfs/dbraw/zinc/51/13/64/497511364.db2.gz GRZWYACZLACAFY-XIYVOTBMSA-N 2 0 356.510 3.218 20 0 FGADRP CNC(=O)c1ccc(C[NH2+][C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000272137037 497545017 /nfs/dbraw/zinc/54/50/17/497545017.db2.gz ARHWQELWLHQUOI-UTKZUKDTSA-N 2 0 351.494 3.046 20 0 FGADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+][C@H]1CCc2ccc(Br)cc21 ZINC000194004992 497545952 /nfs/dbraw/zinc/54/59/52/497545952.db2.gz YQFIDQVRQOSRNA-KSSFIOAISA-N 2 0 366.347 3.052 20 0 FGADRP CC(C)CO[C@@H]1C[C@H]([NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)C1(C)C ZINC000245856026 497551272 /nfs/dbraw/zinc/55/12/72/497551272.db2.gz HBTHVPBVOQDKAK-YSTOQKLRSA-N 2 0 352.563 3.184 20 0 FGADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000245862078 497552995 /nfs/dbraw/zinc/55/29/95/497552995.db2.gz CNUGZIHGIQUBIS-QHAWAJNXSA-N 2 0 370.541 3.092 20 0 FGADRP CCC[N@@H+]1CC[C@H](CNC(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)C1 ZINC000245875754 497557089 /nfs/dbraw/zinc/55/70/89/497557089.db2.gz XXSIUFGSVIDIMF-UXHICEINSA-N 2 0 364.578 3.016 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000245924298 497573559 /nfs/dbraw/zinc/57/35/59/497573559.db2.gz NJWDBKBTVHVSFV-WOJBJXKFSA-N 2 0 364.578 3.301 20 0 FGADRP C[C@@H]1CN(Cc2cccc(C[NH2+][C@@H]3[C@@H]4CCCO[C@H]4C3(C)C)c2)CCO1 ZINC000245933583 497577238 /nfs/dbraw/zinc/57/72/38/497577238.db2.gz SVNTYSBTRJVTHF-UMSONDCASA-N 2 0 358.526 3.201 20 0 FGADRP C[C@@H]1C[C@@H](NC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[N@@H+]1Cc1ccccc1 ZINC000262631494 497587730 /nfs/dbraw/zinc/58/77/30/497587730.db2.gz FLCPAVBBKZZZER-FWZVCBSNSA-N 2 0 355.526 3.076 20 0 FGADRP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+]1CC[C@@H](C)[C@H](C)C1 ZINC000245967427 497587830 /nfs/dbraw/zinc/58/78/30/497587830.db2.gz VSXAKJSMKGCLNO-GUDVDZBRSA-N 2 0 357.542 3.134 20 0 FGADRP CC[C@H](CNC(=O)[C@H](C)[C@H]([NH3+])c1ccccc1)[N@@H+]1CCc2ccccc2C1 ZINC000262660009 497594293 /nfs/dbraw/zinc/59/42/93/497594293.db2.gz FUMHYGNTUSQDNC-YHYVQYDKSA-N 2 0 365.521 3.276 20 0 FGADRP C[C@H](C(=O)N(C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1)[C@H]([NH3+])c1ccccc1 ZINC000262674396 497597470 /nfs/dbraw/zinc/59/74/70/497597470.db2.gz TTWCDKHHJYCGTR-BWAGFHJFSA-N 2 0 365.521 3.446 20 0 FGADRP C[C@@]1(O)CCC[NH+](Cc2ccc(C[N@H+]3CCC[C@@](C)(O)CC3)cc2)CC1 ZINC000279957084 497602111 /nfs/dbraw/zinc/60/21/11/497602111.db2.gz GWRPPXGIPWEWHG-FGZHOGPDSA-N 2 0 360.542 3.160 20 0 FGADRP CCC[C@](C)([NH3+])C(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000262718834 497608021 /nfs/dbraw/zinc/60/80/21/497608021.db2.gz XMTLSMXZHXFEEV-IBGZPJMESA-N 2 0 351.922 3.186 20 0 FGADRP CC[NH+](CC)C[C@@H]1CC[N@H+](C[C@@H](O)Cc2ccc(C(F)(F)F)cc2)C1 ZINC000246094328 497619640 /nfs/dbraw/zinc/61/96/40/497619640.db2.gz JMDOVZGDEJURNL-WMZOPIPTSA-N 2 0 358.448 3.273 20 0 FGADRP CC1CC[NH+](Cc2cccc(CNC(=O)[C@@](C)([NH3+])c3ccccc3)c2)CC1 ZINC000262817962 497628024 /nfs/dbraw/zinc/62/80/24/497628024.db2.gz GNJMKJBPELLSQH-QHCPKHFHSA-N 2 0 365.521 3.409 20 0 FGADRP COC(=O)c1ccc(CN(C)[C@H]2CC[N@H+](C)C[C@@H]2C)c(Br)c1 ZINC000575095722 505919732 /nfs/dbraw/zinc/91/97/32/505919732.db2.gz SAPGGJXWADXMBE-LRDDRELGSA-N 2 0 369.303 3.008 20 0 FGADRP COc1ccc(C[NH+]2CCC(C[NH2+]Cc3cn(C(C)(C)C)nn3)CC2)cc1 ZINC000190905564 497640109 /nfs/dbraw/zinc/64/01/09/497640109.db2.gz JQXWBXUDICVCKD-UHFFFAOYSA-N 2 0 371.529 3.044 20 0 FGADRP C[N@@H+]1CC[C@H]([NH2+]Cc2cc3c(c(Br)c2)OCO3)[C@H]2CCC[C@H]21 ZINC000572229119 505919854 /nfs/dbraw/zinc/91/98/54/505919854.db2.gz CRBQSPWGPZENHZ-VHDGCEQUSA-N 2 0 367.287 3.140 20 0 FGADRP COc1ccccc1[C@H](CNC(=O)[C@@H]1CCCC[C@]1(C)[NH3+])[NH+]1CCCCC1 ZINC000262905130 497652432 /nfs/dbraw/zinc/65/24/32/497652432.db2.gz FATLZWFZPZSCFA-IPJJNNNSSA-N 2 0 373.541 3.246 20 0 FGADRP Cc1nc(CC[NH2+]Cc2ccccc2N(C)C2CC[NH+](C)CC2)cs1 ZINC000267993901 497654303 /nfs/dbraw/zinc/65/43/03/497654303.db2.gz KLLSJOGUZONLNJ-UHFFFAOYSA-N 2 0 358.555 3.314 20 0 FGADRP CCN1CC[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H](O)CO[C@@H]1CCCc2ccccc21 ZINC000246192933 497655235 /nfs/dbraw/zinc/65/52/35/497655235.db2.gz VUGBDACYZFRVEG-XAPVIXHLSA-N 2 0 358.526 3.000 20 0 FGADRP CCC[N@H+](C)C[C@H]1CCN([C@H](C)C(=O)N(Cc2ccccc2)C(C)C)C1 ZINC000246195665 497656911 /nfs/dbraw/zinc/65/69/11/497656911.db2.gz MAWSAFXEJRYYBM-TZIWHRDSSA-N 2 0 359.558 3.476 20 0 FGADRP CCOC(=O)c1ccc2c(c1)nc(CN(C)C[C@@H]1CCC[N@H+](C)C1)n2CC ZINC000581154498 505921587 /nfs/dbraw/zinc/92/15/87/505921587.db2.gz JCNGNWIQWULHEJ-MRXNPFEDSA-N 2 0 372.513 3.007 20 0 FGADRP C[C@@]1(O)CCC[NH+](Cc2ccccc2C[N@H+]2CCC[C@@](C)(O)CC2)CC1 ZINC000280257129 497698634 /nfs/dbraw/zinc/69/86/34/497698634.db2.gz XLNAJYIDNMWRSG-FGZHOGPDSA-N 2 0 360.542 3.160 20 0 FGADRP COCCN(C)c1ccc(C[NH2+]Cc2ccccc2C[N@H+](C)C(C)C)cn1 ZINC000276966458 497702064 /nfs/dbraw/zinc/70/20/64/497702064.db2.gz NUKQRLLCGIYYGT-UHFFFAOYSA-N 2 0 370.541 3.294 20 0 FGADRP C[C@H](C[NH+]1CCCCC1)NC(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000246348038 497703468 /nfs/dbraw/zinc/70/34/68/497703468.db2.gz JOSYUAHWYBHFJM-VAMGGRTRSA-N 2 0 364.578 3.157 20 0 FGADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H](c2cccc(Cl)c2)N2CCOCC2)[C@@H](C)C1 ZINC000246356920 497706300 /nfs/dbraw/zinc/70/63/00/497706300.db2.gz IDVJFLMUXRBTTC-VDGAXYAQSA-N 2 0 365.949 3.033 20 0 FGADRP Cc1ccc(C)c(OC[C@@H](O)C[NH2+]Cc2ccc(C[NH+](C)C)c(F)c2)c1 ZINC000575116592 505924542 /nfs/dbraw/zinc/92/45/42/505924542.db2.gz GAJUHJNZHIWCNW-IBGZPJMESA-N 2 0 360.473 3.034 20 0 FGADRP COc1ccc(COCC[NH2+][C@@H]2CCN(Cc3ccccn3)C[C@@H]2C)cc1 ZINC000246412706 497725742 /nfs/dbraw/zinc/72/57/42/497725742.db2.gz MNOYNQRPPSZRJN-PGRDOPGGSA-N 2 0 369.509 3.107 20 0 FGADRP C[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)c1csc(Cl)c1 ZINC000191155006 497726976 /nfs/dbraw/zinc/72/69/76/497726976.db2.gz BNLFYDFMJDUHIL-CYBMUJFWSA-N 2 0 350.919 3.399 20 0 FGADRP c1csc(N2CCC([NH2+]C[C@H]3CC[N@@H+](CCc4ccccc4)C3)CC2)n1 ZINC000272851913 497745102 /nfs/dbraw/zinc/74/51/02/497745102.db2.gz JTAZDAXJOIBTPL-LJQANCHMSA-N 2 0 370.566 3.266 20 0 FGADRP C[C@@H]1COCCN1C1CC[NH+](Cc2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC000572254406 505926887 /nfs/dbraw/zinc/92/68/87/505926887.db2.gz NQKMICOOKSFTDI-HXUWFJFHSA-N 2 0 371.569 3.358 20 0 FGADRP C[C@H](C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1)[C@@H]([NH3+])c1ccccc1 ZINC000246578610 497780416 /nfs/dbraw/zinc/78/04/16/497780416.db2.gz VNDUNEIJUMIXQZ-IOMROCGXSA-N 2 0 351.494 3.103 20 0 FGADRP C[C@H](O)C[C@@H]1CCC[NH+]1Cc1cccc(C[N@H+]2CCC[C@H]2C[C@H](C)O)c1 ZINC000246751817 497808027 /nfs/dbraw/zinc/80/80/27/497808027.db2.gz QGWKHRDSVPNGHR-GPHNJDIKSA-N 2 0 360.542 3.157 20 0 FGADRP CC(C)N(Cc1ccccc1)C(=O)CN1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246816623 497813295 /nfs/dbraw/zinc/81/32/95/497813295.db2.gz NNWGMLCMMUSCNM-UNMCSNQZSA-N 2 0 369.553 3.372 20 0 FGADRP C[C@@H](OC[C@@H](O)C[NH2+]C1CCC(C[NH+](C)C)CC1)c1ccc(Cl)cc1 ZINC000572274672 505931582 /nfs/dbraw/zinc/93/15/82/505931582.db2.gz KQBPJQCQIUAKJC-FSROGBMZSA-N 2 0 368.949 3.489 20 0 FGADRP CCc1cccc(NC(=[NH2+])NC[C@@H]2CCC[N@H+](C)[C@H]2c2cnn(C)c2)c1 ZINC000364268969 497872030 /nfs/dbraw/zinc/87/20/30/497872030.db2.gz XZVKXQABLVKFEW-QFBILLFUSA-N 2 0 354.502 3.002 20 0 FGADRP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N1CCC[NH+](Cc2ccccc2)C[C@@H]1C ZINC000569493485 505947816 /nfs/dbraw/zinc/94/78/16/505947816.db2.gz SFHKCDOVAYEBFA-MOPGFXCFSA-N 2 0 360.546 3.021 20 0 FGADRP O=C(NCc1cccc(C[NH+]2CCCC2)c1)NC1CC[NH+](C2CCC2)CC1 ZINC000296128902 497930251 /nfs/dbraw/zinc/93/02/51/497930251.db2.gz CLVRAHAEPNRQPW-UHFFFAOYSA-N 2 0 370.541 3.099 20 0 FGADRP COC[C@@H]([NH2+]CCCN1CC[NH+](C(C)C)CC1)c1cccc(Cl)c1 ZINC000288906770 497937671 /nfs/dbraw/zinc/93/76/71/497937671.db2.gz SZEZLNMTWQZLKC-LJQANCHMSA-N 2 0 353.938 3.033 20 0 FGADRP C[C@H]([NH2+]CCC(=O)N1CCc2ccccc21)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000285218661 498025004 /nfs/dbraw/zinc/02/50/04/498025004.db2.gz XKUQPDYAFXFGMU-HKUYNNGSSA-N 2 0 355.526 3.208 20 0 FGADRP Cc1cccc(OC[C@H](O)C[NH2+]CC2CC[NH+](Cc3cccs3)CC2)c1 ZINC000575377353 505969628 /nfs/dbraw/zinc/96/96/28/505969628.db2.gz MHQZTCGBKSNGTB-LJQANCHMSA-N 2 0 374.550 3.298 20 0 FGADRP O=C(CC[NH+]1CCC([C@H]2CC[NH2+]C2)CC1)Nc1ccc(Cl)cc1F ZINC000581370125 505972960 /nfs/dbraw/zinc/97/29/60/505972960.db2.gz KHFYGWSOHWDNTE-AWEZNQCLSA-N 2 0 353.869 3.129 20 0 FGADRP CC[C@@H](C)[NH+]1CCN(C(=O)Nc2ccc([C@H](C)N3CCOCC3)cc2)CC1 ZINC000296568414 498099144 /nfs/dbraw/zinc/09/91/44/498099144.db2.gz GVCKDZJXTPGZRW-MSOLQXFVSA-N 2 0 374.529 3.028 20 0 FGADRP COC(=O)c1csc([C@@H](C)[NH2+]Cc2ccc(OCC[NH+](C)C)cc2)c1 ZINC000285559306 498129243 /nfs/dbraw/zinc/12/92/43/498129243.db2.gz HEAOUDPSHNHMJJ-CQSZACIVSA-N 2 0 362.495 3.326 20 0 FGADRP COc1ccc(C[C@H](C)C[NH2+]CC2(SC)CC[NH+](C)CC2)cc1F ZINC000569655288 505985237 /nfs/dbraw/zinc/98/52/37/505985237.db2.gz NNUKGQBZGJFTLZ-HNNXBMFYSA-N 2 0 354.535 3.430 20 0 FGADRP CC1CC[NH+]([C@H](CNC(=O)N[C@@H]2CCCC[C@H]2[NH3+])c2cccs2)CC1 ZINC000578640409 505987144 /nfs/dbraw/zinc/98/71/44/505987144.db2.gz VAAFZTUVJXXSFK-BRWVUGGUSA-N 2 0 364.559 3.090 20 0 FGADRP C[C@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)c1nccc2ccccc21 ZINC000289688103 498247637 /nfs/dbraw/zinc/24/76/37/498247637.db2.gz JVXWVLHISGMFBX-KRWDZBQOSA-N 2 0 361.493 3.232 20 0 FGADRP C[C@@H]([NH2+]Cc1ccncc1OCC[NH+](C)C)c1ccc(OC(F)F)cc1 ZINC000569736298 506004382 /nfs/dbraw/zinc/00/43/82/506004382.db2.gz UOPNYFUEOGCJRV-CQSZACIVSA-N 2 0 365.424 3.474 20 0 FGADRP CC1CC[NH+](C2CCC(NC(=O)NCC3(C)CC[NH+](C)CC3)CC2)CC1 ZINC000365016690 498256742 /nfs/dbraw/zinc/25/67/42/498256742.db2.gz INDBLZTWLLWNDF-UHFFFAOYSA-N 2 0 364.578 3.061 20 0 FGADRP Cc1[nH+]c2ccccc2c(N2CC[C@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)c1C ZINC000360384972 498270618 /nfs/dbraw/zinc/27/06/18/498270618.db2.gz JXWVOXMIWKGAQF-KKSFZXQISA-N 2 0 352.526 3.314 20 0 FGADRP CCOc1cc(C[NH+]2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)cc(Cl)c1OC ZINC000572602501 506009072 /nfs/dbraw/zinc/00/90/72/506009072.db2.gz TVOHGAHBNXJEFO-AEFFLSMTSA-N 2 0 368.905 3.076 20 0 FGADRP C[C@@H]1C[C@H](N[C@@H](CC(N)=O)c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000293169952 498292390 /nfs/dbraw/zinc/29/23/90/498292390.db2.gz WCQLQFOQHRCSFT-UIFIKXQLSA-N 2 0 351.494 3.246 20 0 FGADRP C[C@@H]([NH2+]CC1CCC2(CC1)OCCO2)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000365204408 498350283 /nfs/dbraw/zinc/35/02/83/498350283.db2.gz QGVUVHCIPMVWSW-NQIIRXRSSA-N 2 0 358.526 3.420 20 0 FGADRP CN(C)c1ncc(CN2CCC[C@@H]([N@H+](C)Cc3ccccc3)CC2)cn1 ZINC000361154242 498351905 /nfs/dbraw/zinc/35/19/05/498351905.db2.gz OAKDXROINAJGAR-HXUWFJFHSA-N 2 0 353.514 3.029 20 0 FGADRP COc1cccc(OC)c1Oc1ccc(C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)cn1 ZINC000581617939 506029070 /nfs/dbraw/zinc/02/90/70/506029070.db2.gz KNDFUSUHLHDKIW-CVEARBPZSA-N 2 0 357.454 3.251 20 0 FGADRP C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)[C@H]1c1cccs1 ZINC000361717096 498423843 /nfs/dbraw/zinc/42/38/43/498423843.db2.gz AXUIBBQJUFXXSI-ATIFRJIPSA-N 2 0 361.555 3.168 20 0 FGADRP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](Cc2cccc(-c3cccnc3)c2)CC1 ZINC000572702458 506032164 /nfs/dbraw/zinc/03/21/64/506032164.db2.gz KLOGSJGROPHDTR-YADHBBJMSA-N 2 0 351.494 3.467 20 0 FGADRP c1nc(CC[NH+]2CCC(OCC[NH+]3CCCC3)CC2)oc1-c1ccccc1 ZINC000365371243 498429616 /nfs/dbraw/zinc/42/96/16/498429616.db2.gz ZGGGBWWPFSDJHL-UHFFFAOYSA-N 2 0 369.509 3.461 20 0 FGADRP OC1CC[NH+](Cc2ccccc2C[NH2+][C@H]2CCCC23CCOCC3)CC1 ZINC000282229696 498432112 /nfs/dbraw/zinc/43/21/12/498432112.db2.gz PHQHYVWAQATLOG-NRFANRHFSA-N 2 0 358.526 3.082 20 0 FGADRP C[NH+]1CCN(CCC[NH2+][C@@H](c2cccc(OC(F)(F)F)c2)C2CC2)CC1 ZINC000286603699 498450108 /nfs/dbraw/zinc/45/01/08/498450108.db2.gz RFUVYVATOPMFTQ-GOSISDBHSA-N 2 0 371.447 3.263 20 0 FGADRP COc1cccc2cc([C@@H](C)[NH2+][C@H]3CCN(C4CC[NH+](C)CC4)C3)oc21 ZINC000362032478 498456359 /nfs/dbraw/zinc/45/63/59/498456359.db2.gz MPFYADRTARSRFD-WBVHZDCISA-N 2 0 357.498 3.261 20 0 FGADRP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)C[C@H](C)O1 ZINC000575953243 506040563 /nfs/dbraw/zinc/04/05/63/506040563.db2.gz MBLZVMJFLDAPMF-NPDDRXJXSA-N 2 0 372.553 3.461 20 0 FGADRP C[C@@H](CC(=O)Nc1cccnc1Cl)[NH2+]CCCCC[NH+]1CCCC1 ZINC000293764991 498481726 /nfs/dbraw/zinc/48/17/26/498481726.db2.gz RPMJEMGEZVPQJR-HNNXBMFYSA-N 2 0 352.910 3.308 20 0 FGADRP CCOC(=O)c1c(C)c2ccccc2nc1C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000578892350 506046276 /nfs/dbraw/zinc/04/62/76/506046276.db2.gz RHOPGBLMUODSBC-CALCHBBNSA-N 2 0 367.493 3.151 20 0 FGADRP C[NH+]1CCC2(CCCN2C(=O)NCc2ccccc2C[NH+]2CCCC2)CC1 ZINC000362619687 498525897 /nfs/dbraw/zinc/52/58/97/498525897.db2.gz CYBUFJLLCQFGSS-UHFFFAOYSA-N 2 0 370.541 3.052 20 0 FGADRP C[C@H]([NH2+]Cc1ccncc1OCCC[NH+](C)C)c1ccc2c(c1)CCO2 ZINC000290496285 498574219 /nfs/dbraw/zinc/57/42/19/498574219.db2.gz XYRLGEYVNBMKIE-INIZCTEOSA-N 2 0 355.482 3.198 20 0 FGADRP Cc1ccc(Cl)c(OC[C@H](O)C[NH2+]CCCC[NH+]2CCC(C)CC2)c1 ZINC000572834267 506063709 /nfs/dbraw/zinc/06/37/09/506063709.db2.gz ATBDNUIGOCWXMG-GOSISDBHSA-N 2 0 368.949 3.490 20 0 FGADRP CC(C)C[N@@H+]1CC[C@H](C[NH2+]C[C@H](O)CO[C@H](C)c2ccc(Cl)cc2)C1 ZINC000581809673 506067609 /nfs/dbraw/zinc/06/76/09/506067609.db2.gz PUNPGPMSHAOHLL-HLIPFELVSA-N 2 0 368.949 3.346 20 0 FGADRP CC1CC[NH+](CCc2cccc(NC(=O)N3CC[C@H](C)[C@@H](C[NH3+])C3)c2)CC1 ZINC000572851361 506067828 /nfs/dbraw/zinc/06/78/28/506067828.db2.gz LTSJCXAAOMPIGJ-ICSRJNTNSA-N 2 0 372.557 3.410 20 0 FGADRP C[C@@H](O)[C@](C)(C[NH2+]C1CCN(c2cc[nH+]cc2)CC1)Cc1ccccc1 ZINC000298063926 498653808 /nfs/dbraw/zinc/65/38/08/498653808.db2.gz KIUFZGSAKUIUGP-GCJKJVERSA-N 2 0 353.510 3.270 20 0 FGADRP C[C@@H]1CCC[C@@](CNC(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)([NH+](C)C)C1 ZINC000303248908 498658140 /nfs/dbraw/zinc/65/81/40/498658140.db2.gz BLUMNOHIELNNHS-SFHLNBCPSA-N 2 0 364.578 3.157 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)C1 ZINC000303346395 498666801 /nfs/dbraw/zinc/66/68/01/498666801.db2.gz ZPWKLOVCMHUCFO-ZCNNSNEGSA-N 2 0 364.578 3.014 20 0 FGADRP COc1ccc([C@@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H]2CO)cc1O ZINC000290819171 498688478 /nfs/dbraw/zinc/68/84/78/498688478.db2.gz WWKDBELBKWNXEQ-OXQOHEQNSA-N 2 0 370.493 3.208 20 0 FGADRP C[C@@H](C(=O)N[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]([NH3+])c1ccccc1 ZINC000312681372 498761844 /nfs/dbraw/zinc/76/18/44/498761844.db2.gz KYZYYHQSKAUWKR-JZZBYWGLSA-N 2 0 365.521 3.349 20 0 FGADRP C[C@H](NC(=O)CC[C@H]([NH3+])c1ccccc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000312682409 498761882 /nfs/dbraw/zinc/76/18/82/498761882.db2.gz LFWIKXNYFQLQHS-NYVOZVTQSA-N 2 0 365.521 3.493 20 0 FGADRP COc1ccc(Cl)cc1C1(C[NH2+][C@@H](C)[C@@H]2CCC[NH2+]C2)CCOCC1 ZINC000576146622 506087359 /nfs/dbraw/zinc/08/73/59/506087359.db2.gz XRFUMKMSCKBVMW-JKSUJKDBSA-N 2 0 366.933 3.375 20 0 FGADRP COc1ccc(CCC[NH2+]C2CCN(c3cc[nH+]cc3)CC2)cc1OC ZINC000298451002 498776222 /nfs/dbraw/zinc/77/62/22/498776222.db2.gz OANFYAYAJZIFOD-UHFFFAOYSA-N 2 0 355.482 3.290 20 0 FGADRP CC(C)[C@@H](C[NH2+]C1CCN(c2cc[nH+]cc2)CC1)NC(=O)OC(C)(C)C ZINC000298507721 498795920 /nfs/dbraw/zinc/79/59/20/498795920.db2.gz QUILQHLPYFEHEB-GOSISDBHSA-N 2 0 362.518 3.189 20 0 FGADRP C[N@H+](CCC[NH2+]C[C@H](O)COc1cccc2[nH]ccc21)C1CCCCC1 ZINC000570102817 506091475 /nfs/dbraw/zinc/09/14/75/506091475.db2.gz ZRVZMPGEJDCSLZ-SFHVURJKSA-N 2 0 359.514 3.152 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2cccc(-n3ccnn3)c2)[C@@H](C)C1 ZINC000287618755 498816369 /nfs/dbraw/zinc/81/63/69/498816369.db2.gz JRJIIYSERAWAJR-WFXMLNOXSA-N 2 0 371.529 3.055 20 0 FGADRP C[C@H](CCNC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C)[NH+](C)Cc1ccccc1 ZINC000287642782 498822728 /nfs/dbraw/zinc/82/27/28/498822728.db2.gz NUQOGDQWOZKOFI-OKCRPCIYSA-N 2 0 372.557 3.164 20 0 FGADRP C[C@@H](NC(=O)c1ccc(CC[NH+](C)C)cc1)[C@@H](c1ccccc1)[NH+](C)C ZINC000581953633 506099877 /nfs/dbraw/zinc/09/98/77/506099877.db2.gz UWPZSMWFOJGELK-UTKZUKDTSA-N 2 0 353.510 3.212 20 0 FGADRP COc1ccc(CC[C@H](C)[NH2+]CC2(SC)CC[NH+](C)CC2)cc1O ZINC000576200535 506100117 /nfs/dbraw/zinc/10/01/17/506100117.db2.gz PVMANZZVQUAOHH-HNNXBMFYSA-N 2 0 352.544 3.139 20 0 FGADRP Cn1c2ccc(C[NH2+]C[C@H]3CC[N@H+](C)[C@H]3c3cccs3)cc2sc1=O ZINC000366275132 498852879 /nfs/dbraw/zinc/85/28/79/498852879.db2.gz ARPZSJMBIVNUHC-RDTXWAMCSA-N 2 0 373.547 3.444 20 0 FGADRP CCC[NH+]1CCC(N(C)C(=O)N[C@H](C)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000287991316 498919376 /nfs/dbraw/zinc/91/93/76/498919376.db2.gz KXWQFHJYXXKSDH-YLJYHZDGSA-N 2 0 360.546 3.194 20 0 FGADRP Cc1n[nH]c(C)c1C[NH2+]CCCC[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000299073573 498957128 /nfs/dbraw/zinc/95/71/28/498957128.db2.gz VEPSEMJYFVYOKU-UHFFFAOYSA-N 2 0 355.530 3.027 20 0 FGADRP CCCOc1c(Br)cc(C[NH2+][C@H](C)C[C@@H](C)[NH3+])cc1OC ZINC000576280187 506119816 /nfs/dbraw/zinc/11/98/16/506119816.db2.gz WAFBTIKNMVWZHI-VXGBXAGGSA-N 2 0 359.308 3.462 20 0 FGADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@H](C)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000288221507 498970281 /nfs/dbraw/zinc/97/02/81/498970281.db2.gz SBNWZRXGXVLEPQ-HBFSDRIKSA-N 2 0 360.546 3.051 20 0 FGADRP C[C@H]([NH3+])[C@H]1CCCN(C(=O)NC[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)C1 ZINC000582052536 506122537 /nfs/dbraw/zinc/12/25/37/506122537.db2.gz FRFDKCROXSHOSY-JBACZVJFSA-N 2 0 372.557 3.058 20 0 FGADRP O=C(NCc1ccc(-n2ccnc2)c(F)c1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000333468994 499010565 /nfs/dbraw/zinc/01/05/65/499010565.db2.gz RAQXQKXCIMTILY-IBGZPJMESA-N 2 0 356.445 3.035 20 0 FGADRP C[C@H]1CCC[C@H]([NH+]2CCC([NH2+][C@H]3CC[C@@H](C(=O)N4CCCC4)C3)CC2)C1 ZINC000366662493 499022998 /nfs/dbraw/zinc/02/29/98/499022998.db2.gz FTPDBBKYUFDXHE-YHELAOLJSA-N 2 0 361.574 3.410 20 0 FGADRP CC(C)[NH+]1CCN(CCC[NH+]2CCC(CCc3ccc(O)cc3)CC2)CC1 ZINC000573141700 506127084 /nfs/dbraw/zinc/12/70/84/506127084.db2.gz CYEGGXNMRVZNEL-UHFFFAOYSA-N 2 0 373.585 3.453 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)N2CC[C@H]([NH3+])[C@H](C)C2)C1 ZINC000333589275 499037075 /nfs/dbraw/zinc/03/70/75/499037075.db2.gz AWLMECZKYXZPAS-IIMDRIAPSA-N 2 0 372.557 3.043 20 0 FGADRP OC[C@@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+]CC1Cc2ccccc2C1 ZINC000576320784 506129864 /nfs/dbraw/zinc/12/98/64/506129864.db2.gz LTONTQKWGHIFAO-QHCPKHFHSA-N 2 0 350.506 3.148 20 0 FGADRP c1ccc(C[N@@H+]2CCCO[C@@H](CN3CCC[C@@H]([NH+]4CCCC4)CC3)C2)cc1 ZINC000284196583 499066512 /nfs/dbraw/zinc/06/65/12/499066512.db2.gz SESIWDUNDRESSO-PKTZIBPZSA-N 2 0 371.569 3.228 20 0 FGADRP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](Cc2ccc(Cl)s2)CC1 ZINC000363959363 499067832 /nfs/dbraw/zinc/06/78/32/499067832.db2.gz IZDWBBONGSJGNR-UHFFFAOYSA-N 2 0 371.978 3.318 20 0 FGADRP COc1cc2c(cc1F)[nH+]ccc2N1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000333751814 499070766 /nfs/dbraw/zinc/07/07/66/499070766.db2.gz ZDPFODDMIBFJDA-OXQOHEQNSA-N 2 0 359.445 3.105 20 0 FGADRP CC(C)Oc1ccccc1[C@@H](C)[NH2+]CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000576326257 506131435 /nfs/dbraw/zinc/13/14/35/506131435.db2.gz VZXHSBHYOKKNNF-QGZVFWFLSA-N 2 0 361.530 3.113 20 0 FGADRP c1ccc(CN2CC[C@H]([NH2+][C@@H]3CCO[C@]4(CCOC4)C3)CC23CC3)cc1 ZINC000570279092 506131479 /nfs/dbraw/zinc/13/14/79/506131479.db2.gz FHPIADBECBPRIJ-TUNNFDKTSA-N 2 0 356.510 3.111 20 0 FGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H]2CCC[C@H](c3ncccc3C)C2)CC1 ZINC000366967714 499124013 /nfs/dbraw/zinc/12/40/13/499124013.db2.gz ZSOICKMSVQHBQE-HLAWJBBLSA-N 2 0 358.574 3.279 20 0 FGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H]2CCC[C@@H](c3ncccc3C)C2)CC1 ZINC000366967715 499124329 /nfs/dbraw/zinc/12/43/29/499124329.db2.gz ZSOICKMSVQHBQE-HMXCVIKNSA-N 2 0 358.574 3.279 20 0 FGADRP CC1CCC([NH+]2CCC(NC(=O)NCC3(C)CC[NH+](C)CC3)CC2)CC1 ZINC000369931056 499153582 /nfs/dbraw/zinc/15/35/82/499153582.db2.gz RPYDGPGOMZLUFA-UHFFFAOYSA-N 2 0 364.578 3.061 20 0 FGADRP CCC[NH+]1CCC(N2CC[NH+](C[C@@H]3CCC4(CCCCC4)O3)CC2)CC1 ZINC000372794282 499176313 /nfs/dbraw/zinc/17/63/13/499176313.db2.gz SXLMFOZUWZRWFE-NRFANRHFSA-N 2 0 363.590 3.360 20 0 FGADRP CCC[N@H+](CC)C[C@H](C)NC(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000573175216 506136232 /nfs/dbraw/zinc/13/62/32/506136232.db2.gz XJUIXQDOHADGLG-SFHVURJKSA-N 2 0 360.546 3.202 20 0 FGADRP C[C@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccc(Br)cc1 ZINC000370111172 499182316 /nfs/dbraw/zinc/18/23/16/499182316.db2.gz KUXMLSAJGGVACO-YOEHRIQHSA-N 2 0 366.347 3.268 20 0 FGADRP C[C@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccc(Br)s1 ZINC000370624703 499236716 /nfs/dbraw/zinc/23/67/16/499236716.db2.gz OGLNYVQPFSGDPV-STQMWFEESA-N 2 0 372.376 3.330 20 0 FGADRP C[N@@H+]1CC[C@H]([NH2+]C2CCC(NC(=O)OC(C)(C)C)CC2)[C@H]2CCC[C@H]21 ZINC000367620097 499218514 /nfs/dbraw/zinc/21/85/14/499218514.db2.gz PZYIAVMCNLAVFS-KWXGJIJISA-N 2 0 351.535 3.285 20 0 FGADRP COc1ccc2c(c1)CCC[C@@H]2[NH+]1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC000367675628 499223960 /nfs/dbraw/zinc/22/39/60/499223960.db2.gz YVJABWVHRKRLDA-QFIPXVFZSA-N 2 0 357.542 3.032 20 0 FGADRP COc1ccc(C[C@@H](C)[NH2+]CCC2CC[NH+](C3CCN(C)CC3)CC2)cc1 ZINC000370661958 499241256 /nfs/dbraw/zinc/24/12/56/499241256.db2.gz XMQGTKMAPHXYJX-LJQANCHMSA-N 2 0 373.585 3.412 20 0 FGADRP OCC[C@@H]([NH2+]C1CCN(Cc2cccnc2)CC1)c1ccc(Cl)cc1 ZINC000367903742 499243798 /nfs/dbraw/zinc/24/37/98/499243798.db2.gz NGQNQTLPYWOKQB-HXUWFJFHSA-N 2 0 359.901 3.413 20 0 FGADRP COc1ccc(C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)c2ccccc12 ZINC000370698970 499245803 /nfs/dbraw/zinc/24/58/03/499245803.db2.gz KISJEAGISXEUIV-PGRDOPGGSA-N 2 0 367.537 3.306 20 0 FGADRP Cc1cccc(C)c1NC(=O)CCC[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@@H]2C1 ZINC000370732663 499249494 /nfs/dbraw/zinc/24/94/94/499249494.db2.gz OOOWGDKRCLCYKU-VAMGGRTRSA-N 2 0 355.526 3.438 20 0 FGADRP CC[NH+]1CCN([C@H]2CC[N@@H+]([C@H]3CC(C)(C)Oc4cc(F)ccc43)C2)CC1 ZINC000368017187 499255385 /nfs/dbraw/zinc/25/53/85/499255385.db2.gz GZCSIYDDWDIEEJ-HKUYNNGSSA-N 2 0 361.505 3.140 20 0 FGADRP c1nc(CNC2CC[NH+](CC3CCCCC3)CC2)sc1C1OCCO1 ZINC000368030302 499257375 /nfs/dbraw/zinc/25/73/75/499257375.db2.gz MUDAYCHBCBAFFL-UHFFFAOYSA-N 2 0 365.543 3.323 20 0 FGADRP c1ccc2sc(N3CCC([NH2+][C@@H]4CC[N@@H+]5CCC[C@@H]5C4)CC3)nc2c1 ZINC000371110532 499289553 /nfs/dbraw/zinc/28/95/53/499289553.db2.gz ZITYZYAJJKQHGJ-IAGOWNOFSA-N 2 0 356.539 3.482 20 0 FGADRP C[N@@H+]1CC[C@H](C[NH2+]C2CCN(C(=O)c3ccoc3)CC2)[C@@H]1c1ccccc1 ZINC000371329800 499311243 /nfs/dbraw/zinc/31/12/43/499311243.db2.gz NVUYIDQUZONUSP-NQIIRXRSSA-N 2 0 367.493 3.167 20 0 FGADRP CC(C)[NH+]1CCC(NC(=O)[C@H]2CCn3c(cnc3C3CCCCC3)C2)CC1 ZINC000368600380 499312343 /nfs/dbraw/zinc/31/23/43/499312343.db2.gz HFEQFVYJSZEJJM-SFHVURJKSA-N 2 0 372.557 3.482 20 0 FGADRP C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@H]1[NH2+]Cc1ccc2c(c1)COC(C)(C)O2 ZINC000368649618 499317369 /nfs/dbraw/zinc/31/73/69/499317369.db2.gz HCDAJYIUHZVXNU-NSISKUIASA-N 2 0 374.525 3.311 20 0 FGADRP CC(C)[NH+]1CCC(N(C)Cc2nc3c(s2)C[N@@H+](C(C)C)CC3)CC1 ZINC000371810316 499367935 /nfs/dbraw/zinc/36/79/35/499367935.db2.gz QYKPORFKUOPIHT-UHFFFAOYSA-N 2 0 350.576 3.214 20 0 FGADRP CN1CC[NH+](CC2(C)CC[NH+](Cc3cnc4ccccc4c3)CC2)CC1 ZINC000371869524 499373809 /nfs/dbraw/zinc/37/38/09/499373809.db2.gz IBRKEMDKTIDIDW-UHFFFAOYSA-N 2 0 352.526 3.084 20 0 FGADRP C[C@@H]([NH2+]C1CCN(C2CC[NH+](C)CC2)CC1)c1ccc2c(c1)OCCCO2 ZINC000371979572 499386322 /nfs/dbraw/zinc/38/63/22/499386322.db2.gz MORMFMLHUXBXDZ-QGZVFWFLSA-N 2 0 373.541 3.057 20 0 FGADRP C[C@H]1CCC[N@@H+]1C1CCN(C(=O)[C@H]2CCC[NH+](Cc3ccccc3)C2)CC1 ZINC000372086819 499397649 /nfs/dbraw/zinc/39/76/49/499397649.db2.gz QHWFPTDXXZUERU-FPOVZHCZSA-N 2 0 369.553 3.374 20 0 FGADRP C(=C/C[N@@H+]1CC[C@@H](C2CCOCC2)C1)\C[NH+]1CC[C@H](C2CCOCC2)C1 ZINC000372270792 499415835 /nfs/dbraw/zinc/41/58/35/499415835.db2.gz UQCASXRPMZKGHP-XFDDJKQHSA-N 2 0 362.558 3.040 20 0 FGADRP CCn1ccnc1[C@@H]1CCCCN1C(=O)NC[C@H](C)C[NH+]1CCCCC1 ZINC000373790583 499488025 /nfs/dbraw/zinc/48/80/25/499488025.db2.gz ONWLEHVTOYXTNO-ROUUACIJSA-N 2 0 361.534 3.262 20 0 FGADRP C[C@H]([NH2+]C(C)(C)CNC(=O)c1cccn1C1CC[NH2+]CC1)c1ccccc1 ZINC000378201846 499489632 /nfs/dbraw/zinc/48/96/32/499489632.db2.gz KLDSSILQRLNIMO-KRWDZBQOSA-N 2 0 368.525 3.272 20 0 FGADRP O=C(CC[C@@H]1CC[NH2+]C1)N1CCC[C@@H]1[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000378294869 499498835 /nfs/dbraw/zinc/49/88/35/499498835.db2.gz RAOIUXWDNGHQCP-HMXCVIKNSA-N 2 0 355.526 3.032 20 0 FGADRP C[NH+]1CCC2(CCCN2C(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)CC1 ZINC000378338199 499503261 /nfs/dbraw/zinc/50/32/61/499503261.db2.gz XZHWWSMWDUISMT-HXUWFJFHSA-N 2 0 370.541 3.093 20 0 FGADRP C[NH+](C)Cc1ccccc1C(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000375425890 499517617 /nfs/dbraw/zinc/51/76/17/499517617.db2.gz LLRVYUCZNXHTEJ-FQEVSTJZSA-N 2 0 365.521 3.043 20 0 FGADRP C[C@H]([NH2+]C1CCN(C(=O)c2ccco2)CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000378568173 499532508 /nfs/dbraw/zinc/53/25/08/499532508.db2.gz JPTBJWKXWJLKLR-IRXDYDNUSA-N 2 0 359.514 3.127 20 0 FGADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CCSC[C@@H]2c2cccs2)CC1 ZINC000375600454 499536744 /nfs/dbraw/zinc/53/67/44/499536744.db2.gz UJLBTXCBVCRZPM-QGZVFWFLSA-N 2 0 353.601 3.254 20 0 FGADRP C[C@H]([NH2+]C[C@H](O)COc1ccc(F)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000383333873 499546713 /nfs/dbraw/zinc/54/67/13/499546713.db2.gz ZWZCVGYFYDKZCV-CUWPLCDZSA-N 2 0 372.484 3.066 20 0 FGADRP COC(=O)c1ccc(C[NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1F ZINC000388269793 499550204 /nfs/dbraw/zinc/55/02/04/499550204.db2.gz MZVARIDFYBMEQY-GOSISDBHSA-N 2 0 356.441 3.224 20 0 FGADRP Cc1ccnc([C@H](C)[NH2+]CC2CC[NH+](C[C@H](O)c3ccccc3)CC2)c1 ZINC000375781893 499555373 /nfs/dbraw/zinc/55/53/73/499555373.db2.gz BZPJJCXVVUXXRT-AVRDEDQJSA-N 2 0 353.510 3.486 20 0 FGADRP COC(=O)c1cnc([C@H](C)[NH2+]CC2CC[NH+](Cc3ccccc3)CC2)s1 ZINC000397510693 499564262 /nfs/dbraw/zinc/56/42/62/499564262.db2.gz NCXBRMAONCEGJJ-HNNXBMFYSA-N 2 0 373.522 3.493 20 0 FGADRP C[C@H](CC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)[C@H]1CCC[NH2+]C1 ZINC000398076367 499566242 /nfs/dbraw/zinc/56/62/42/499566242.db2.gz QSXUHKGIOVVICX-YXYSEUPNSA-N 2 0 357.542 3.039 20 0 FGADRP O[C@H](Cc1ccccc1)C[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000409446138 499596684 /nfs/dbraw/zinc/59/66/84/499596684.db2.gz NKIRJJURZDKTIV-YTFSRNRJSA-N 2 0 350.506 3.044 20 0 FGADRP COc1sc(C[NH2+]Cc2cnc3n2CCCC3)cc1Br ZINC000376728928 499632438 /nfs/dbraw/zinc/63/24/38/499632438.db2.gz NCXLDTFZHMXBPS-UHFFFAOYSA-N 2 0 356.289 3.342 20 0 FGADRP CN(C(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000376833001 499638781 /nfs/dbraw/zinc/63/87/81/499638781.db2.gz YAKCNTYKHMRMGC-ZZJWQFMZSA-N 2 0 374.529 3.073 20 0 FGADRP c1ccc(CN2C[C@@H]([NH2+]CCCOC3CCOCC3)C[C@H]2C2CC2)cc1 ZINC000376861516 499641843 /nfs/dbraw/zinc/64/18/43/499641843.db2.gz SYLJILWDBGGXDB-UNMCSNQZSA-N 2 0 358.526 3.215 20 0 FGADRP C[C@@H]1CN(C2CC[NH+](Cc3ccc(C[NH+]4CCCCC4)cc3)CC2)CCO1 ZINC000411192622 499709330 /nfs/dbraw/zinc/70/93/30/499709330.db2.gz RMMXJKQUKNPGAV-HXUWFJFHSA-N 2 0 371.569 3.358 20 0 FGADRP CC[NH+]1CCC(NC(=O)C[NH2+][C@@H](c2ccccc2Cl)C(C)C)CC1 ZINC000411467536 499744417 /nfs/dbraw/zinc/74/44/17/499744417.db2.gz AZNYLCYJMBDYDP-LJQANCHMSA-N 2 0 351.922 3.227 20 0 FGADRP C[NH+](C)Cc1cccc(C(=O)N2C[C@@H]3C[N@H+](C)[C@H](c4ccccc4)[C@@H]3C2)c1 ZINC000377883687 499745077 /nfs/dbraw/zinc/74/50/77/499745077.db2.gz KOKXOXAOGCVYNJ-BHDDXSALSA-N 2 0 363.505 3.123 20 0 FGADRP CC[NH+]1CCC(NC(=O)C[NH2+][C@@H](Cc2ccccc2)c2cccs2)CC1 ZINC000411516192 499750196 /nfs/dbraw/zinc/75/01/96/499750196.db2.gz JJIAGLIZJXHMMV-IBGZPJMESA-N 2 0 371.550 3.222 20 0 FGADRP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NCC(=O)N1CCCC[C@H]1C ZINC000411527361 499751437 /nfs/dbraw/zinc/75/14/37/499751437.db2.gz FVXUHXGVZVVYKM-GUDVDZBRSA-N 2 0 357.542 3.134 20 0 FGADRP Cc1nccn1-c1ccc([C@@H](C)NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1F ZINC000377974784 499752454 /nfs/dbraw/zinc/75/24/54/499752454.db2.gz YRZSYYZVEZCMML-VBQJREDUSA-N 2 0 358.461 3.227 20 0 FGADRP COc1ccc([C@H](CO)C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000414182519 499766531 /nfs/dbraw/zinc/76/65/31/499766531.db2.gz NIWLLCUXYARJLG-JZWVFAODSA-N 2 0 368.521 3.271 20 0 FGADRP CCc1ncc(C[NH2+]CCCC[NH+]2CCN(c3cccc(C)c3)CC2)cn1 ZINC000414261349 499772398 /nfs/dbraw/zinc/77/23/98/499772398.db2.gz HUPGEUHAKIVKJB-UHFFFAOYSA-N 2 0 367.541 3.039 20 0 FGADRP NC(=O)C1CC[NH+](Cc2ccc(C[NH2+][C@H](C3CC3)C3CCCC3)cc2)CC1 ZINC000414337665 499778936 /nfs/dbraw/zinc/77/89/36/499778936.db2.gz JIWZNNUTUPZLKY-QFIPXVFZSA-N 2 0 369.553 3.442 20 0 FGADRP Cc1cc(C[NH2+]CCc2ccc(OCC[NH+]3C[C@H](C)[C@@H](C)C3)cc2)nn1C ZINC000414361529 499780869 /nfs/dbraw/zinc/78/08/69/499780869.db2.gz CPFJCFRGPICAPP-ROUUACIJSA-N 2 0 370.541 3.027 20 0 FGADRP Cc1cc(C[NH2+]C2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)ccc1C(F)(F)F ZINC000414383703 499784100 /nfs/dbraw/zinc/78/41/00/499784100.db2.gz UOEMAUJTBJMLRZ-MSOLQXFVSA-N 2 0 356.432 3.481 20 0 FGADRP C[C@H](c1ccccc1)[C@H]([NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1)C(N)=O ZINC000411756641 499787113 /nfs/dbraw/zinc/78/71/13/499787113.db2.gz KECQLHCGISNHHG-GCJKJVERSA-N 2 0 365.521 3.420 20 0 FGADRP CC[C@@H](C)[NH+]1CCN(CCC(C)CCN2CC[NH+]([C@H](C)CC)CC2)CC1 ZINC000411787395 499790608 /nfs/dbraw/zinc/79/06/08/499790608.db2.gz FAYUFJXAUAMLOB-FGZHOGPDSA-N 2 0 366.638 3.235 20 0 FGADRP O[C@@H]([C@H]1CC[N@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1)C(F)(F)F ZINC000411798836 499792022 /nfs/dbraw/zinc/79/20/22/499792022.db2.gz JQANEXUZYYQDHC-ROUUACIJSA-N 2 0 356.432 3.418 20 0 FGADRP O=C(c1cccc(C[NH+]2CCCCC2)c1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000412050550 499817544 /nfs/dbraw/zinc/81/75/44/499817544.db2.gz YRZLDBDNZCJIRX-NRFANRHFSA-N 2 0 355.526 3.373 20 0 FGADRP CC[NH+](CC)CCOc1ccccc1NC(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000414778183 499830015 /nfs/dbraw/zinc/83/00/15/499830015.db2.gz GMRNTAFSYQVRMT-IAGOWNOFSA-N 2 0 362.518 3.046 20 0 FGADRP CCCCOc1ccc(C[N@@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)cc1OC ZINC000414784562 499830999 /nfs/dbraw/zinc/83/09/99/499830999.db2.gz ILWYTSJHNRAAFJ-SFHVURJKSA-N 2 0 362.514 3.061 20 0 FGADRP COc1ccc(Br)cc1C[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414788508 499831318 /nfs/dbraw/zinc/83/13/18/499831318.db2.gz WTVPPHCUVHPUAR-KGLIPLIRSA-N 2 0 353.304 3.279 20 0 FGADRP CC(C)[N@@H+]1CCc2nc(CNCC[NH2+]C3CCCCCC3)sc2C1 ZINC000414812524 499833701 /nfs/dbraw/zinc/83/37/01/499833701.db2.gz PMNBFZWADLKBDI-UHFFFAOYSA-N 2 0 350.576 3.312 20 0 FGADRP Cc1cc(Br)cc(C[NH2+]CC[C@@H]2CC[NH2+]C2)c1OC(F)F ZINC000414828652 499835050 /nfs/dbraw/zinc/83/50/50/499835050.db2.gz JDNQCMNVOCNQTH-NSHDSACASA-N 2 0 363.246 3.448 20 0 FGADRP Clc1ccc(CN2CCC([NH2+]CCCNCc3cccnc3)CC2)cc1 ZINC000414885040 499841333 /nfs/dbraw/zinc/84/13/33/499841333.db2.gz VCJLUCXDGOLDMS-UHFFFAOYSA-N 2 0 372.944 3.469 20 0 FGADRP Cc1nn(-c2ccc(Cl)cc2)cc1CNCCC[NH2+]Cc1cccnc1 ZINC000414887050 499841520 /nfs/dbraw/zinc/84/15/20/499841520.db2.gz WNHYBKUSBHOBMF-UHFFFAOYSA-N 2 0 369.900 3.499 20 0 FGADRP O=C(NC[C@H]1CCCC[N@@H+]1C1CC1)c1cccc(C[NH+]2CCCCC2)c1 ZINC000412291537 499841860 /nfs/dbraw/zinc/84/18/60/499841860.db2.gz LCUIKODVZIOSMY-OAQYLSRUSA-N 2 0 355.526 3.419 20 0 FGADRP CC1(C[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccncc2)CC[NH2+]CC1 ZINC000414905310 499843309 /nfs/dbraw/zinc/84/33/09/499843309.db2.gz OKUSSBUHEQCNRK-UHFFFAOYSA-N 2 0 361.493 3.414 20 0 FGADRP CCOc1c(Br)cc(C[NH2+]C[C@]2(C)CCC[NH2+]C2)cc1OC ZINC000414909291 499844094 /nfs/dbraw/zinc/84/40/94/499844094.db2.gz RMBBNYGVULJXLN-QGZVFWFLSA-N 2 0 371.319 3.336 20 0 FGADRP C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)c1cccc(C[NH+]2CCCCC2)c1 ZINC000412343323 499846704 /nfs/dbraw/zinc/84/67/04/499846704.db2.gz ICFYJNSDYSLXPR-RXVVDRJESA-N 2 0 355.526 3.371 20 0 FGADRP COc1cccc(-c2nn(C(C)(C)C)cc2C[NH2+][C@@H]2CC[NH2+]C[C@@H]2C)c1 ZINC000414942366 499846886 /nfs/dbraw/zinc/84/68/86/499846886.db2.gz MPKDGDRRJBBSOP-HNAYVOBHSA-N 2 0 356.514 3.401 20 0 FGADRP Cc1cccn2cc(COc3ccc(C[NH2+][C@H]4CC[NH2+][C@H](C)C4)cc3)nc12 ZINC000414943546 499847256 /nfs/dbraw/zinc/84/72/56/499847256.db2.gz FOBPAKGTPVPSRF-MJGOQNOKSA-N 2 0 364.493 3.452 20 0 FGADRP COc1cc(C[NH2+]CCC[C@@H]2CCC[NH2+]2)ccc1OCc1ccncc1 ZINC000414980405 499850912 /nfs/dbraw/zinc/85/09/12/499850912.db2.gz WPAVQDWNCBLYJM-LJQANCHMSA-N 2 0 355.482 3.291 20 0 FGADRP C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+]C[C@H]1CCC[C@@H]([NH3+])C1 ZINC000414994894 499853006 /nfs/dbraw/zinc/85/30/06/499853006.db2.gz DZMFVIOBVZEINO-HZSPNIEDSA-N 2 0 373.419 3.409 20 0 FGADRP [NH3+][C@@H]1CCC[C@@H](C[NH2+]Cc2nc(-c3ccc(Br)cc3)c[nH]2)C1 ZINC000415004493 499854122 /nfs/dbraw/zinc/85/41/22/499854122.db2.gz OGAJXYKSZNZBQL-IUODEOHRSA-N 2 0 363.303 3.446 20 0 FGADRP Cc1ccn2c(C[NH2+]C[C@@H]3C[NH2+]CC[C@@H]3c3ccc(F)cc3)cnc2c1 ZINC000415005522 499854336 /nfs/dbraw/zinc/85/43/36/499854336.db2.gz PCIXXNULDYSDAZ-FXAWDEMLSA-N 2 0 352.457 3.265 20 0 FGADRP C[C@H](CCCC[NH3+])[NH2+][C@@H](C)CC(=O)Nc1ccc(Br)cc1 ZINC000415014552 499855027 /nfs/dbraw/zinc/85/50/27/499855027.db2.gz MROZUOAOVPIMDF-OLZOCXBDSA-N 2 0 356.308 3.273 20 0 FGADRP C[C@H](CCCC[NH3+])[NH2+]Cc1cnn(-c2ccc(Br)cc2)c1 ZINC000415017198 499855373 /nfs/dbraw/zinc/85/53/73/499855373.db2.gz RJZHXPLGPHEAEQ-CYBMUJFWSA-N 2 0 351.292 3.242 20 0 FGADRP Fc1ccc(C[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)c(Cl)c1Cl ZINC000415059651 499859686 /nfs/dbraw/zinc/85/96/86/499859686.db2.gz VFOXIIJTQPYHKM-UHFFFAOYSA-N 2 0 360.304 3.439 20 0 FGADRP CCOc1cc(C[NH2+][C@H](C)CCCC[NH3+])cc(Br)c1OC ZINC000415063091 499859959 /nfs/dbraw/zinc/85/99/59/499859959.db2.gz NMARCPATIQJKNW-GFCCVEGCSA-N 2 0 359.308 3.464 20 0 FGADRP c1cc(C[NH2+]C2CCC([NH+]3CCNCC3)CC2)cc(-c2ccncc2)c1 ZINC000415061917 499860035 /nfs/dbraw/zinc/86/00/35/499860035.db2.gz ZEBXXUUSFIDYEY-UHFFFAOYSA-N 2 0 350.510 3.055 20 0 FGADRP CC[NH+]1CCN(c2ccc(N[C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)c(C)c2)CC1 ZINC000415066325 499860194 /nfs/dbraw/zinc/86/01/94/499860194.db2.gz AJXNIZBATCHAGU-BAGYTPMASA-N 2 0 356.558 3.470 20 0 FGADRP [NH3+]CC(=O)N1CCC[C@@H](C[NH2+][C@@H](c2ccccc2)c2cccc(Cl)c2)C1 ZINC000415081812 499861729 /nfs/dbraw/zinc/86/17/29/499861729.db2.gz CGXIAHVJKZORDN-KKSFZXQISA-N 2 0 371.912 3.216 20 0 FGADRP C[C@@H]1C[C@H](C[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccncc2)CC[NH2+]1 ZINC000415085212 499861857 /nfs/dbraw/zinc/86/18/57/499861857.db2.gz SCGNTDOYABYVGC-QZTJIDSGSA-N 2 0 361.493 3.412 20 0 FGADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1cccc(CN2CCO[C@H](C)C2)c1 ZINC000415087123 499862247 /nfs/dbraw/zinc/86/22/47/499862247.db2.gz UAEHVWZFZIOVFL-WOIUINJBSA-N 2 0 359.558 3.308 20 0 FGADRP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](Cc2cccc(OC(F)(F)F)c2)CC1 ZINC000415111988 499865298 /nfs/dbraw/zinc/86/52/98/499865298.db2.gz RQYAMXJDKZQSHR-SJORKVTESA-N 2 0 358.404 3.304 20 0 FGADRP Cc1ccc(C[NH+]2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)cc1Br ZINC000415115739 499865691 /nfs/dbraw/zinc/86/56/91/499865691.db2.gz XHALGMDZHGSTEW-MSOLQXFVSA-N 2 0 367.331 3.476 20 0 FGADRP [NH3+][C@H]1CCO[C@H](C2CC[NH+](Cc3ccc(OC(F)(F)F)cc3)CC2)C1 ZINC000415127276 499867318 /nfs/dbraw/zinc/86/73/18/499867318.db2.gz QTGXHFANUCJVCG-RDJZCZTQSA-N 2 0 358.404 3.304 20 0 FGADRP [NH3+][C@@H]1CCO[C@H](C2CC[NH+](Cc3cccc(OCC(F)(F)F)c3)CC2)C1 ZINC000415129593 499867676 /nfs/dbraw/zinc/86/76/76/499867676.db2.gz VGLRFTMPMUKUPZ-AEFFLSMTSA-N 2 0 372.431 3.346 20 0 FGADRP C[C@@H]1CCCN(C(=O)Nc2ccc(OCC[NH+]3CCCCC3)cc2)[C@H]1C[NH3+] ZINC000415304737 499885161 /nfs/dbraw/zinc/88/51/61/499885161.db2.gz GEXTWQXZFDIYHE-XLIONFOSSA-N 2 0 374.529 3.142 20 0 FGADRP CC1CC[NH+](CCc2cccc(NC(=O)N3C[C@@H]4CC[NH2+]C[C@@H]4C3)c2)CC1 ZINC000415389471 499890962 /nfs/dbraw/zinc/89/09/62/499890962.db2.gz JAQNJBIHTCMWFR-VQTJNVASSA-N 2 0 370.541 3.034 20 0 FGADRP CCCN(CC[NH+]1CCCCCC1)C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000415891395 499924830 /nfs/dbraw/zinc/92/48/30/499924830.db2.gz GCXAKDFGNZBEEF-UHFFFAOYSA-N 2 0 358.530 3.452 20 0 FGADRP C[NH2+]Cc1ccccc1NC(=O)N[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000415898074 499925644 /nfs/dbraw/zinc/92/56/44/499925644.db2.gz GXGWXRJCRPGCGG-APWZRJJASA-N 2 0 352.482 3.363 20 0 FGADRP C[C@@H](CCNC(=O)Nc1ccc(OCC[NH3+])cc1)[N@H+](C)Cc1ccccc1 ZINC000415940919 499931184 /nfs/dbraw/zinc/93/11/84/499931184.db2.gz VAWKHZAYZYRIMD-KRWDZBQOSA-N 2 0 370.497 3.056 20 0 FGADRP C[NH2+]Cc1ccc(NC(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2C)cc1 ZINC000415966822 499934972 /nfs/dbraw/zinc/93/49/72/499934972.db2.gz APLBSPGYRNCTTA-UHFFFAOYSA-N 2 0 367.497 3.110 20 0 FGADRP C[NH2+]Cc1ccc(NC(=O)NCc2ccc(OCCC[NH+](C)C)cc2)cc1 ZINC000415969301 499935407 /nfs/dbraw/zinc/93/54/07/499935407.db2.gz FTILEMZBOWYTNI-UHFFFAOYSA-N 2 0 370.497 3.058 20 0 FGADRP C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)Nc2ccc3c(c2)C[NH2+]CCO3)C1 ZINC000415971452 499935676 /nfs/dbraw/zinc/93/56/76/499935676.db2.gz JTQFEPUSQVFYAB-IRXDYDNUSA-N 2 0 374.529 3.048 20 0 FGADRP C[NH+](C)CCN(CCCc1ccccc1)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000415983620 499937158 /nfs/dbraw/zinc/93/71/58/499937158.db2.gz ZXPQNPAMUTXBQA-UHFFFAOYSA-N 2 0 354.498 3.174 20 0 FGADRP C[NH2+]Cc1ccc(NC(=O)NCc2cccc(C[NH+]3CCCC3)c2)cc1 ZINC000415988301 499938072 /nfs/dbraw/zinc/93/80/72/499938072.db2.gz HZZBTXZVULLBTO-UHFFFAOYSA-N 2 0 352.482 3.324 20 0 FGADRP C[C@H]1CCN(C(=O)Nc2ccc3c(c2)C[NH2+]C3)CC[N@@H+]1Cc1ccccc1 ZINC000415993616 499938600 /nfs/dbraw/zinc/93/86/00/499938600.db2.gz FILDIPAKYVRYKO-KRWDZBQOSA-N 2 0 364.493 3.418 20 0 FGADRP C[NH+](C)[C@@H](CC(=O)NC[C@H](c1ccco1)[NH+]1CCCC1)c1ccccc1 ZINC000416118967 499950067 /nfs/dbraw/zinc/95/00/67/499950067.db2.gz AWUYIXCVQXEHHE-RBUKOAKNSA-N 2 0 355.482 3.226 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]C1 ZINC000417037812 499954666 /nfs/dbraw/zinc/95/46/66/499954666.db2.gz IRQWWRBXNISLKV-VAMGGRTRSA-N 2 0 364.578 3.205 20 0 FGADRP O=C(CC[N@@H+]1CCc2ccccc2C1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000416169588 499967116 /nfs/dbraw/zinc/96/71/16/499967116.db2.gz FVHPUFYENLJVGW-UHFFFAOYSA-N 2 0 369.553 3.348 20 0 FGADRP COc1ccc(C[NH2+]CC2(SC)CC[NH+](C)CC2)c(Cl)c1OC ZINC000570439727 506168278 /nfs/dbraw/zinc/16/82/78/506168278.db2.gz YFAUQOKEVOBSLW-UHFFFAOYSA-N 2 0 358.935 3.274 20 0 FGADRP C[C@@H]([NH3+])C[C@H](C)NC(=O)NCc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000570449168 506169816 /nfs/dbraw/zinc/16/98/16/506169816.db2.gz NHTRRGGJTWNOEK-SJORKVTESA-N 2 0 368.525 3.340 20 0 FGADRP Cc1ccc(C[N@@H+]2CCCN(C(=O)C[NH+](C3CCC3)C3CCC3)CC2)cc1 ZINC000429149404 500013588 /nfs/dbraw/zinc/01/35/88/500013588.db2.gz HFWQTUFQRWCNQM-UHFFFAOYSA-N 2 0 369.553 3.436 20 0 FGADRP CCCN1C[C@H](C[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CC1=O ZINC000421351257 500023335 /nfs/dbraw/zinc/02/33/35/500023335.db2.gz MHQSVBUUBUQEHI-DXBBTUNJSA-N 2 0 369.553 3.135 20 0 FGADRP C[NH+](C)C1CCC([NH2+]Cc2cccc(I)c2)CC1 ZINC000421368097 500029097 /nfs/dbraw/zinc/02/90/97/500029097.db2.gz FUDVLHQDAZFXQG-UHFFFAOYSA-N 2 0 358.267 3.254 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)N(C)[C@H](C)C[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000417291946 500030161 /nfs/dbraw/zinc/03/01/61/500030161.db2.gz BONWQYSRKZTOMJ-CJNGLKHVSA-N 2 0 374.451 3.077 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N[C@@H](C)[C@H](C)[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000417293178 500030879 /nfs/dbraw/zinc/03/08/79/500030879.db2.gz DZUJYBGIZOXTQZ-HEHGZKQESA-N 2 0 374.451 3.123 20 0 FGADRP Cc1ccc([C@H](CNC(=O)N2CCCC[C@H]2[C@H]2CCC[NH2+]C2)[NH+](C)C)cc1 ZINC000417310806 500036134 /nfs/dbraw/zinc/03/61/34/500036134.db2.gz KXTPGIIZJBLONF-ACRUOGEOSA-N 2 0 372.557 3.161 20 0 FGADRP CS[C@@H]1CC[C@@H]1[NH2+]Cc1cccc(OCC[N@H+](C)C2CCOCC2)c1 ZINC000425350987 500082425 /nfs/dbraw/zinc/08/24/25/500082425.db2.gz LVFKMFRZKMZMIW-VQTJNVASSA-N 2 0 364.555 3.160 20 0 FGADRP CCC[NH+](CCC)CCCNC(=O)N1CCCC[C@H]1[C@@H]1CCC[NH2+]C1 ZINC000417469828 500082616 /nfs/dbraw/zinc/08/26/16/500082616.db2.gz QWRZKYPONFFQJF-MOPGFXCFSA-N 2 0 352.567 3.062 20 0 FGADRP C[C@H]([NH3+])c1ccc(CNC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000429515568 500091914 /nfs/dbraw/zinc/09/19/14/500091914.db2.gz BSCVZLOQSCOCLF-LAUBAEHRSA-N 2 0 351.494 3.235 20 0 FGADRP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@@H+](C)[C@@H]2CC[C@H](C)C2)CC1 ZINC000429564926 500104354 /nfs/dbraw/zinc/10/43/54/500104354.db2.gz HDIVHCZUWHBUBM-GHTZIAJQSA-N 2 0 357.542 3.150 20 0 FGADRP CC(C)c1nccn1CCC(=O)N1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000413955903 500107233 /nfs/dbraw/zinc/10/72/33/500107233.db2.gz MXKTYQUGRDFXNP-GOSISDBHSA-N 2 0 354.498 3.130 20 0 FGADRP C[NH+](C)[C@H](CNC(=O)N[C@@H](CCC[NH3+])c1ccccc1)c1cccc(F)c1 ZINC000416826583 500130835 /nfs/dbraw/zinc/13/08/35/500130835.db2.gz BXRDVRPSGHDOOG-VQTJNVASSA-N 2 0 372.488 3.208 20 0 FGADRP C[C@@H]([NH3+])c1ccc(CNC(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)cc1 ZINC000417644546 500135711 /nfs/dbraw/zinc/13/57/11/500135711.db2.gz AJPUHKOZRFJMOM-UTKZUKDTSA-N 2 0 366.509 3.170 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1)c1ccccc1 ZINC000416849253 500137794 /nfs/dbraw/zinc/13/77/94/500137794.db2.gz XRABOTVTYAYCIL-RTWAWAEBSA-N 2 0 372.557 3.101 20 0 FGADRP [NH3+]C[C@H](NC(=O)N1CCCC[C@H]1c1ncc[nH]1)c1ccc2ccccc2c1 ZINC000579453349 506178424 /nfs/dbraw/zinc/17/84/24/506178424.db2.gz CMDKIXUUYYEZLA-OALUTQOASA-N 2 0 363.465 3.500 20 0 FGADRP C[N@H+](CCCNC(=O)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]C1)Cc1ccccc1 ZINC000416874314 500145012 /nfs/dbraw/zinc/14/50/12/500145012.db2.gz PIERSMKDQORVGZ-NHCUHLMSSA-N 2 0 372.557 3.072 20 0 FGADRP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N[C@@H](C[NH3+])C2CCCCC2)CC1 ZINC000417677579 500147158 /nfs/dbraw/zinc/14/71/58/500147158.db2.gz GCLHTCPXVUHACN-UTKZUKDTSA-N 2 0 372.557 3.419 20 0 FGADRP CC[NH2+]CC1CCN(C(=O)NCc2ccc(C[NH+](CC)CC)cc2)CC1 ZINC000416885038 500147379 /nfs/dbraw/zinc/14/73/79/500147379.db2.gz LPXXBWSDOQYBIN-UHFFFAOYSA-N 2 0 360.546 3.060 20 0 FGADRP CC[N@@H+]1CC[C@H]([NH+](C)CCOc2ccc(C(=O)OC)cc2Cl)[C@@H](C)C1 ZINC000429811383 500148838 /nfs/dbraw/zinc/14/88/38/500148838.db2.gz WPKYEMABXJEQGU-YOEHRIQHSA-N 2 0 368.905 3.168 20 0 FGADRP C[C@@H]([NH2+]C1(CNC(=O)N[C@@H](C)CCCC[NH3+])CCCC1)c1ccccc1 ZINC000417710114 500154127 /nfs/dbraw/zinc/15/41/27/500154127.db2.gz UHSNISMLFSQRAX-ZWKOTPCHSA-N 2 0 360.546 3.467 20 0 FGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@H](c2ccc(OC)cc2F)C2CC2)CC1 ZINC000421824631 500160455 /nfs/dbraw/zinc/16/04/55/500160455.db2.gz JOYMULRYNQAXQV-KKSFZXQISA-N 2 0 363.521 3.149 20 0 FGADRP C[N@H+](Cc1ccccc1CNC(=O)[C@@H](N)c1cscn1)C1CCCCC1 ZINC000573362331 506179810 /nfs/dbraw/zinc/17/98/10/506179810.db2.gz DQNFIBQFNZOOTB-IBGZPJMESA-N 2 0 372.538 3.224 20 0 FGADRP CCCN(C(=O)NCc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1)[C@@H]1CC[NH2+]C1 ZINC000416970973 500170824 /nfs/dbraw/zinc/17/08/24/500170824.db2.gz ONEACTANZWEXRE-GHTZIAJQSA-N 2 0 372.557 3.202 20 0 FGADRP C[NH2+]C[C@H]1CCCN(C(=O)NCc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)C1 ZINC000416977566 500173279 /nfs/dbraw/zinc/17/32/79/500173279.db2.gz QDBINEZWTRWUEE-WIYYLYMNSA-N 2 0 372.557 3.202 20 0 FGADRP C[C@H]([NH3+])[C@H]1CCCN(C(=O)NCc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)C1 ZINC000416979444 500173913 /nfs/dbraw/zinc/17/39/13/500173913.db2.gz SKVNALGZVHXJEC-WFXMLNOXSA-N 2 0 372.557 3.330 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000416979470 500173952 /nfs/dbraw/zinc/17/39/52/500173952.db2.gz SOVGJENXGAIWQY-UIFIKXQLSA-N 2 0 370.541 3.097 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)N[C@@H]3CC[C@H](C[NH3+])C3)cc2)C1 ZINC000416981255 500174621 /nfs/dbraw/zinc/17/46/21/500174621.db2.gz CJUPXXORYHYPDX-KJNZLNQQSA-N 2 0 372.557 3.091 20 0 FGADRP C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)NCC[C@H]2CCC[NH2+]2)C1 ZINC000416984341 500174779 /nfs/dbraw/zinc/17/47/79/500174779.db2.gz HBMROHAEGLBAON-BBTUJRGHSA-N 2 0 372.557 3.106 20 0 FGADRP CCCN(C(=O)NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1)[C@H]1CC[NH2+]C1 ZINC000416985036 500175827 /nfs/dbraw/zinc/17/58/27/500175827.db2.gz YJBONBJTOYRJQI-NQIIRXRSSA-N 2 0 372.557 3.345 20 0 FGADRP CC[NH+](CC)Cc1cccc(CNC(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)c1 ZINC000416987491 500176429 /nfs/dbraw/zinc/17/64/29/500176429.db2.gz SRXJJJTZJTUUKK-NRFANRHFSA-N 2 0 372.557 3.202 20 0 FGADRP CC(C)CC[NH+]1CCC(CNC(=O)NCc2ccc([C@@H](C)[NH3+])cc2)CC1 ZINC000417832596 500180766 /nfs/dbraw/zinc/18/07/66/500180766.db2.gz DCMNPBCKBOYKRA-QGZVFWFLSA-N 2 0 360.546 3.264 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N1CCCC[C@H]1[C@@H](C)[NH3+])c1ccsc1 ZINC000417006547 500182429 /nfs/dbraw/zinc/18/24/29/500182429.db2.gz JSTUHQWMTRJDOX-HYVNUMGLSA-N 2 0 352.548 3.042 20 0 FGADRP C[N@H+](CCCNC(=O)N1CCC([C@H]2[NH2+]CC2(C)C)CC1)C1CCCCC1 ZINC000417009352 500183543 /nfs/dbraw/zinc/18/35/43/500183543.db2.gz KGXZEPHWVPMXRM-LJQANCHMSA-N 2 0 364.578 3.061 20 0 FGADRP C[C@H]([NH3+])c1ccc(CNC(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)cc1 ZINC000417021722 500185489 /nfs/dbraw/zinc/18/54/89/500185489.db2.gz KBAQFFLBYFZFSC-LAUBAEHRSA-N 2 0 366.509 3.343 20 0 FGADRP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)N[C@H](C[NH3+])c2ccc3ccccc3c2)C1 ZINC000417860903 500186012 /nfs/dbraw/zinc/18/60/12/500186012.db2.gz ZJDWYNDAUAVLLO-VAMGGRTRSA-N 2 0 354.498 3.012 20 0 FGADRP CC[NH+](CC)CCOc1ccc(C[NH2+][C@H]2COC(C)(C)C2)cc1OC ZINC000417863760 500187244 /nfs/dbraw/zinc/18/72/44/500187244.db2.gz AYDHTRVKMXHUEM-QGZVFWFLSA-N 2 0 350.503 3.073 20 0 FGADRP CCCC[N@H+](CC)Cc1cccc(CNC(=O)N2CC[C@@H](C)[C@H](C[NH3+])C2)c1 ZINC000417868815 500188119 /nfs/dbraw/zinc/18/81/19/500188119.db2.gz DBLJXIYOLNQZIK-WIYYLYMNSA-N 2 0 374.573 3.435 20 0 FGADRP CC(C)C[C@H](CNC(=O)N1CC[C@H](C)[C@H](C[NH3+])C1)[NH2+][C@H](C)c1ccccc1 ZINC000417871022 500188313 /nfs/dbraw/zinc/18/83/13/500188313.db2.gz JCRQQTGKBFPIFT-UYWIDEMCSA-N 2 0 374.573 3.378 20 0 FGADRP CC(C)C[C@H](CNC(=O)N[C@@H]1CC[NH2+][C@@H](C)C1)[NH2+][C@H](C)c1ccccc1 ZINC000417872674 500188762 /nfs/dbraw/zinc/18/87/62/500188762.db2.gz LBVBHTWPVPZSTL-ONCXSQPRSA-N 2 0 360.546 3.192 20 0 FGADRP C[NH2+]C[C@@H]1CCCN(C(=O)NC[C@H](CC(C)C)[NH2+][C@H](C)c2ccccc2)C1 ZINC000417881280 500190737 /nfs/dbraw/zinc/19/07/37/500190737.db2.gz TUHYVSOBFAWJCC-DYXWJJEUSA-N 2 0 374.573 3.393 20 0 FGADRP CCC1(CNC(=O)NCCC[NH2+]C2CC2)CC[NH+](Cc2ccccc2)CC1 ZINC000417924912 500198856 /nfs/dbraw/zinc/19/88/56/500198856.db2.gz MYTGDJXGWYTSKF-UHFFFAOYSA-N 2 0 372.557 3.120 20 0 FGADRP CC[NH2+]CC1CCN(C(=O)NC2CCC([NH+]3CCC(C)CC3)CC2)CC1 ZINC000417929596 500199913 /nfs/dbraw/zinc/19/99/13/500199913.db2.gz SWKUGUWLEPSQNG-UHFFFAOYSA-N 2 0 364.578 3.061 20 0 FGADRP CCC1(CNC(=O)N(C)C2CC[NH2+]CC2)CC[NH+](Cc2ccccc2)CC1 ZINC000417935707 500200601 /nfs/dbraw/zinc/20/06/01/500200601.db2.gz ZZSYOINNLIOAJU-UHFFFAOYSA-N 2 0 372.557 3.072 20 0 FGADRP Cc1cc(C[NH2+]CCc2ccc(OCC[NH+]3C[C@H](C)[C@@H](C)C3)cc2)n(C)n1 ZINC000417966887 500206245 /nfs/dbraw/zinc/20/62/45/500206245.db2.gz NQXPJQHXWDBARC-ROUUACIJSA-N 2 0 370.541 3.027 20 0 FGADRP Cc1cc(C[NH2+]CCc2ccc(OCC[N@H+]3C[C@H](C)[C@H](C)C3)cc2)n(C)n1 ZINC000417966883 500206331 /nfs/dbraw/zinc/20/63/31/500206331.db2.gz NQXPJQHXWDBARC-HDICACEKSA-N 2 0 370.541 3.027 20 0 FGADRP CCCN(C(=O)N[C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)C1CC[NH2+]CC1 ZINC000417987105 500209717 /nfs/dbraw/zinc/20/97/17/500209717.db2.gz GBECJEPSYBAWIR-UYAOXDASSA-N 2 0 372.557 3.071 20 0 FGADRP C[NH+](C)CC1CCN(C(=O)NC[C@]2(C)CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000430214062 500209870 /nfs/dbraw/zinc/20/98/70/500209870.db2.gz WNBBPBGJAPVWES-QFIPXVFZSA-N 2 0 372.557 3.024 20 0 FGADRP C[C@H]([NH3+])c1ccc(CNC(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000418017108 500214697 /nfs/dbraw/zinc/21/46/97/500214697.db2.gz RZMWDELSLZMSMY-XGHQBKJUSA-N 2 0 366.509 3.026 20 0 FGADRP CCCC[C@H](C[NH3+])NC(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000418044416 500219920 /nfs/dbraw/zinc/21/99/20/500219920.db2.gz ZWWALAYNJBCHQT-CVEARBPZSA-N 2 0 374.451 3.125 20 0 FGADRP CC[NH+]1CCN(c2ccccc2C[NH+]2CCC(OC3CCC3)CC2)CC1 ZINC000418088016 500227783 /nfs/dbraw/zinc/22/77/83/500227783.db2.gz FGQMKXRAFKNEEG-UHFFFAOYSA-N 2 0 357.542 3.362 20 0 FGADRP Cc1ccccc1[C@H]([C@@H](C)NC(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1)[NH+](C)C ZINC000418182906 500244231 /nfs/dbraw/zinc/24/42/31/500244231.db2.gz NJVCOFLIOLPXHW-QMMLZNLJSA-N 2 0 372.557 3.160 20 0 FGADRP CCC[N@H+](C)[C@@H](CNC(=O)NC1CCC([NH3+])CC1)c1ccc(Cl)cc1 ZINC000418189210 500245858 /nfs/dbraw/zinc/24/58/58/500245858.db2.gz VDCFMKGYQRZPCK-ABHNRTSZSA-N 2 0 366.937 3.292 20 0 FGADRP C[C@H]([NH3+])c1ccc(CNC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)cc1 ZINC000418191371 500246137 /nfs/dbraw/zinc/24/61/37/500246137.db2.gz KPLMVJQKGVKEGA-CSODHUTKSA-N 2 0 366.509 3.169 20 0 FGADRP Cc1ccccc1[C@@H]([C@@H](C)NC(=O)N1CCC2(CC[NH2+]CC2)CC1)[NH+](C)C ZINC000418193323 500246943 /nfs/dbraw/zinc/24/69/43/500246943.db2.gz ZIHWHGLNJQGYER-UYAOXDASSA-N 2 0 372.557 3.161 20 0 FGADRP COC(=O)c1cc(C[N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)c[nH]1 ZINC000582316850 506185199 /nfs/dbraw/zinc/18/51/99/506185199.db2.gz HGRSOBQSWVFRCO-UHFFFAOYSA-N 2 0 367.493 3.289 20 0 FGADRP CC[NH2+]CC1CC[NH+]([C@@H](C)C(=O)Nc2cccc(C(F)(F)F)c2)CC1 ZINC000430575175 500256303 /nfs/dbraw/zinc/25/63/03/500256303.db2.gz UTOPQJQCUVIOAZ-ZDUSSCGKSA-N 2 0 357.420 3.354 20 0 FGADRP CC(C)[C@H]([NH3+])CC[N@H+](C)CCC(=O)Nc1ccc(Br)cc1F ZINC000430577670 500257209 /nfs/dbraw/zinc/25/72/09/500257209.db2.gz CYMIOUWVBGYKMO-CQSZACIVSA-N 2 0 374.298 3.222 20 0 FGADRP CC(C)c1ccc([C@@H]([NH3+])CNC(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)cc1 ZINC000418347594 500265730 /nfs/dbraw/zinc/26/57/30/500265730.db2.gz IOCVLFDHMLUDAX-SFTDATJTSA-N 2 0 372.557 3.470 20 0 FGADRP C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)N[C@@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000418410215 500273269 /nfs/dbraw/zinc/27/32/69/500273269.db2.gz OMLUDZRABQCSBA-LEWJYISDSA-N 2 0 372.557 3.058 20 0 FGADRP O=C(C[N@@H+]1CC[C@H]2CCC[C@H]21)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000426460345 500274682 /nfs/dbraw/zinc/27/46/82/500274682.db2.gz NNSBAJBNOPVOAJ-IEBWSBKVSA-N 2 0 359.539 3.048 20 0 FGADRP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCC([NH3+])(CC)CC ZINC000418425234 500274795 /nfs/dbraw/zinc/27/47/95/500274795.db2.gz JFFGQCZNJBRJAB-IBGZPJMESA-N 2 0 360.546 3.058 20 0 FGADRP CCCC[C@@H](C[NH3+])NC(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000418472105 500280394 /nfs/dbraw/zinc/28/03/94/500280394.db2.gz SDAQMCJUNVNPMN-FQEVSTJZSA-N 2 0 372.557 3.202 20 0 FGADRP C[C@@H]([NH3+])c1ccc(CNC(=O)N(CC[NH+](C)C)Cc2ccccc2F)cc1 ZINC000418470366 500280460 /nfs/dbraw/zinc/28/04/60/500280460.db2.gz UWSJETMXWHFBIT-MRXNPFEDSA-N 2 0 372.488 3.119 20 0 FGADRP C[C@@H]1C[C@@H](C)[N@H+](CCC(=O)Nc2ccccc2Br)C[C@@H]1C[NH3+] ZINC000422641162 500285166 /nfs/dbraw/zinc/28/51/66/500285166.db2.gz XGRFXSQQYLQSFP-MCIONIFRSA-N 2 0 368.319 3.083 20 0 FGADRP C[C@@H]1C[C@H](C)[N@H+](CCC(=O)Nc2ccccc2Br)C[C@@H]1C[NH3+] ZINC000422641164 500285530 /nfs/dbraw/zinc/28/55/30/500285530.db2.gz XGRFXSQQYLQSFP-RDBSUJKOSA-N 2 0 368.319 3.083 20 0 FGADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+][C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000422713713 500288604 /nfs/dbraw/zinc/28/86/04/500288604.db2.gz PZAMXJCISZHAGK-DJIMGWMZSA-N 2 0 352.320 3.277 20 0 FGADRP C[C@H](COc1cccc(F)c1)[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422740685 500292379 /nfs/dbraw/zinc/29/23/79/500292379.db2.gz OCVUZEFHBJEYFV-JJXUHFIVSA-N 2 0 356.441 3.439 20 0 FGADRP CC1CC[NH+]([C@H](CN[C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)c2ccccc2)CC1 ZINC000422744825 500293304 /nfs/dbraw/zinc/29/33/04/500293304.db2.gz WROYDLMYEXGDBF-WBADGQHESA-N 2 0 371.569 3.206 20 0 FGADRP CCOC(=O)C1([C@@H](C)[NH2+][C@H](C)c2ccc(F)cc2Cl)CC[NH2+]CC1 ZINC000422750863 500294072 /nfs/dbraw/zinc/29/40/72/500294072.db2.gz DSHGRRBJKLBWIY-CHWSQXEVSA-N 2 0 356.869 3.451 20 0 FGADRP COc1ccc([C@H](C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)N2CCCC2)cc1 ZINC000422758144 500294427 /nfs/dbraw/zinc/29/44/27/500294427.db2.gz NOLMECKWILWVEQ-MBDNFAEBSA-N 2 0 357.542 3.342 20 0 FGADRP COc1cccc(N2CCC[C@H]([NH2+][C@@H](Cc3ccccc3)[C@@H](C)[NH3+])C2)c1 ZINC000422759309 500294736 /nfs/dbraw/zinc/29/47/36/500294736.db2.gz KRUFVTTZXRBZBA-LZNRXBQRSA-N 2 0 353.510 3.212 20 0 FGADRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CC1CCN(C(=O)c2ccccc2)CC1 ZINC000422772289 500295630 /nfs/dbraw/zinc/29/56/30/500295630.db2.gz WPODFTCIQYHVDF-RXVVDRJESA-N 2 0 357.542 3.439 20 0 FGADRP COc1ccc(CC[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c(OC)c1 ZINC000422788568 500297284 /nfs/dbraw/zinc/29/72/84/500297284.db2.gz VOANJRLGEYGTQM-UGKGYDQZSA-N 2 0 368.477 3.092 20 0 FGADRP C[N@H+](CCCN[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)Cc1ccccc1 ZINC000422785218 500297353 /nfs/dbraw/zinc/29/73/53/500297353.db2.gz MZCFAINCDNTZCV-FYYLOGMGSA-N 2 0 365.521 3.354 20 0 FGADRP C[N@H+](CCCN[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)Cc1ccccc1 ZINC000422785223 500297635 /nfs/dbraw/zinc/29/76/35/500297635.db2.gz MZCFAINCDNTZCV-JTHBVZDNSA-N 2 0 365.521 3.354 20 0 FGADRP c1nc2ccccc2n1CCC[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422794711 500298298 /nfs/dbraw/zinc/29/82/98/500298298.db2.gz ZDWWIVBMDYKWFK-SIKLNZKXSA-N 2 0 362.477 3.272 20 0 FGADRP OC[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)Cc1c(F)cccc1Cl ZINC000422797886 500298817 /nfs/dbraw/zinc/29/88/17/500298817.db2.gz OWSLNFNJBYVTBP-WTVLQJKYSA-N 2 0 354.897 3.140 20 0 FGADRP CS(=O)(=O)c1cccc([C@@H]([NH2+]C2CCC(C[NH3+])CC2)c2ccccc2)c1 ZINC000422798412 500299091 /nfs/dbraw/zinc/29/90/91/500299091.db2.gz QYHGERFAUXQYDA-IOYBJCICSA-N 2 0 372.534 3.287 20 0 FGADRP Fc1ccc(OCC[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c(F)c1 ZINC000422818757 500302128 /nfs/dbraw/zinc/30/21/28/500302128.db2.gz LEOCPZCPXWKLKW-FXAWDEMLSA-N 2 0 360.404 3.189 20 0 FGADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000422841252 500304866 /nfs/dbraw/zinc/30/48/66/500304866.db2.gz CTKDYNGUDUBRSH-WMZHIEFXSA-N 2 0 351.538 3.242 20 0 FGADRP [NH3+]C[C@H]1CC[C@H](CNC(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)CC1 ZINC000418671675 500305280 /nfs/dbraw/zinc/30/52/80/500305280.db2.gz SSWQUPFNIXHXHN-UFYCRDLUSA-N 2 0 364.578 3.049 20 0 FGADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]Cc1ccccc1COCc1ccccc1 ZINC000422858799 500306413 /nfs/dbraw/zinc/30/64/13/500306413.db2.gz JHWBVFZYIHWJJE-HSQYWUDLSA-N 2 0 354.494 3.245 20 0 FGADRP C[C@H]([NH3+])C1CC[NH+](CC(=O)NCC2(c3ccccc3)CCCCC2)CC1 ZINC000430927787 500308452 /nfs/dbraw/zinc/30/84/52/500308452.db2.gz RUKLTKFRNAXRKA-SFHVURJKSA-N 2 0 357.542 3.064 20 0 FGADRP C[C@H](CCCC[NH3+])[NH2+]C[C@@H](c1c(F)cccc1Cl)N1CCO[C@@H](C)C1 ZINC000422873658 500308898 /nfs/dbraw/zinc/30/88/98/500308898.db2.gz AXXCSFJLUSHDBI-VKJFTORMSA-N 2 0 371.928 3.348 20 0 FGADRP C[C@H]([NH3+])C1CC[NH+]([C@@H](C)C(=O)N[C@@H](C)c2cccc3ccccc32)CC1 ZINC000430935348 500309560 /nfs/dbraw/zinc/30/95/60/500309560.db2.gz POGLSMNVEYGOGL-ULQDDVLXSA-N 2 0 353.510 3.465 20 0 FGADRP C[C@@H]([NH3+])C1CC[NH+]([C@@H](C)C(=O)N[C@@H](C)c2ccc3ccccc3c2)CC1 ZINC000430935193 500309617 /nfs/dbraw/zinc/30/96/17/500309617.db2.gz PGRPCQCLUUGNRZ-IKGGRYGDSA-N 2 0 353.510 3.465 20 0 FGADRP C[C@@H](CCCC[NH3+])[NH2+][C@@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1 ZINC000422878604 500309806 /nfs/dbraw/zinc/30/98/06/500309806.db2.gz JIMRNPWBTBFSKS-YOEHRIQHSA-N 2 0 371.447 3.476 20 0 FGADRP c1ccc2cc(OCCC[NH2+][C@@H]3CCOC[C@@H]3[C@@H]3CCC[NH2+]3)ccc2c1 ZINC000422883918 500310166 /nfs/dbraw/zinc/31/01/66/500310166.db2.gz DGVOQNRIIHYSRO-BHIFYINESA-N 2 0 354.494 3.355 20 0 FGADRP C[NH2+]C[C@@H]1CCN(CC(=O)N2CCC[C@@H]2c2ccc(C(C)(C)C)cc2)C1 ZINC000430941521 500310596 /nfs/dbraw/zinc/31/05/96/500310596.db2.gz WXAXVVBPSVNJRY-FXAWDEMLSA-N 2 0 357.542 3.189 20 0 FGADRP COC1CC[NH+](C2(CN[C@@H]3CCC[C@H]3[C@H]3CCCC[NH2+]3)CCCC2)CC1 ZINC000422888279 500311452 /nfs/dbraw/zinc/31/14/52/500311452.db2.gz MJSGNGAAVJUWCN-PWRODBHTSA-N 2 0 363.590 3.310 20 0 FGADRP CC[NH+](CC)CCCC1CCN(C(=O)NC[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000418719526 500312164 /nfs/dbraw/zinc/31/21/64/500312164.db2.gz KRTZHAFFDYJCOC-OALUTQOASA-N 2 0 352.567 3.048 20 0 FGADRP C[C@H]1C[N@H+](CCC(=O)Nc2ccccc2Oc2ccccc2)CC[C@H]1[NH3+] ZINC000430966426 500314242 /nfs/dbraw/zinc/31/42/42/500314242.db2.gz OSVPDWFHBMZDOI-FUHWJXTLSA-N 2 0 353.466 3.477 20 0 FGADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@H]1CCCN(Cc2c(F)cccc2F)C1 ZINC000422906888 500314319 /nfs/dbraw/zinc/31/43/19/500314319.db2.gz KNPXCJQJIDNTNC-WBVHZDCISA-N 2 0 374.479 3.442 20 0 FGADRP CCOC(=O)C1([C@H](C)[NH2+]C[C@H]2CCCO[C@@H]2c2ccccc2)CC[NH2+]CC1 ZINC000422908083 500314950 /nfs/dbraw/zinc/31/49/50/500314950.db2.gz XZJYDEHCBNFBRX-DFQSSKMNSA-N 2 0 374.525 3.065 20 0 FGADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]CCOc1ncc(C(F)(F)F)cc1Cl ZINC000422917600 500316315 /nfs/dbraw/zinc/31/63/15/500316315.db2.gz GNDBLIOLZXVXIG-MFKMUULPSA-N 2 0 351.800 3.240 20 0 FGADRP COC[C@H]([NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1ccc(F)cc1 ZINC000422919884 500316870 /nfs/dbraw/zinc/31/68/70/500316870.db2.gz LFTDXEHRSJNRJD-DYXWJJEUSA-N 2 0 356.441 3.359 20 0 FGADRP CCOc1ccc([C@H](C)NC(=O)CCC[NH2+][C@@H]2CC[NH2+]CC[C@H]2C)cc1 ZINC000422926729 500317639 /nfs/dbraw/zinc/31/76/39/500317639.db2.gz DTCCQEAFVVNZPN-FUHIMQAGSA-N 2 0 361.530 3.020 20 0 FGADRP C[C@@H]1C[C@H](N(C)C(=O)NCCC[C@H]2CCC[NH2+]2)CC[N@@H+]1Cc1ccccc1 ZINC000418750130 500318001 /nfs/dbraw/zinc/31/80/01/500318001.db2.gz NNZRQVQOLIBXMN-HMXCVIKNSA-N 2 0 372.557 3.213 20 0 FGADRP C[C@@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)c1ccc(I)cc1 ZINC000423471058 500376778 /nfs/dbraw/zinc/37/67/78/500376778.db2.gz DVOFCKMUJIXWKA-IUODEOHRSA-N 2 0 358.267 3.474 20 0 FGADRP CC[C@@H]([NH2+]C[C@@H]1CCN(c2ccc(Br)cc2)C1)[C@@H]1CCC[NH2+]1 ZINC000422951605 500322386 /nfs/dbraw/zinc/32/23/86/500322386.db2.gz ZHDRMVUJCLOYLY-QGTPRVQTSA-N 2 0 366.347 3.396 20 0 FGADRP C[C@@H]([NH2+]C[C@@H]1CCN(c2ccc(Br)cc2)C1)[C@@H]1CCCC[NH2+]1 ZINC000422949891 500322879 /nfs/dbraw/zinc/32/28/79/500322879.db2.gz UWGCSIAVELIDRO-VKJFTORMSA-N 2 0 366.347 3.396 20 0 FGADRP Brc1ccc(OCC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000422951240 500322867 /nfs/dbraw/zinc/32/28/67/500322867.db2.gz ZYRGDRCATMVWQL-GVDBMIGSSA-N 2 0 353.304 3.338 20 0 FGADRP C[C@@H](NC(=O)C[NH+]1CCC2(CC[NH2+]C2)CC1)c1ccc2ccccc2c1 ZINC000431015204 500323391 /nfs/dbraw/zinc/32/33/91/500323391.db2.gz SDTDWQWGNINXHJ-QGZVFWFLSA-N 2 0 351.494 3.093 20 0 FGADRP CCc1noc(-c2ccc(CC[NH2+][C@H](C)c3ccc(C[NH3+])nc3C)cc2)n1 ZINC000422959316 500324026 /nfs/dbraw/zinc/32/40/26/500324026.db2.gz RMKLFSZPHHRUFR-CQSZACIVSA-N 2 0 365.481 3.354 20 0 FGADRP CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000431017534 500324282 /nfs/dbraw/zinc/32/42/82/500324282.db2.gz QVLJAJTYTZYHGU-UHFFFAOYSA-N 2 0 370.324 3.027 20 0 FGADRP Brc1cc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)cc2c1OCO2 ZINC000422967735 500324542 /nfs/dbraw/zinc/32/45/42/500324542.db2.gz CJKPGKCMAJOILG-BPLDGKMQSA-N 2 0 367.287 3.188 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)[C@H]([NH3+])C(C)C)c1ccc(C(F)(F)F)cc1 ZINC000431038765 500326891 /nfs/dbraw/zinc/32/68/91/500326891.db2.gz DYSJPLFCEAZMNQ-JKSUJKDBSA-N 2 0 359.436 3.188 20 0 FGADRP [NH3+]CCCn1ccc2cc(C(=O)N3CCC[C@H]3C[NH+]3CCCCC3)ccc21 ZINC000431036892 500326899 /nfs/dbraw/zinc/32/68/99/500326899.db2.gz HCYMINNJLOIXCH-FQEVSTJZSA-N 2 0 368.525 3.081 20 0 FGADRP CCOc1ccc(Cl)cc1CC[NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000423009323 500330205 /nfs/dbraw/zinc/33/02/05/500330205.db2.gz CPWOFYGWTAXPJA-KZNAEPCWSA-N 2 0 352.906 3.028 20 0 FGADRP CCOc1ccc(Cl)cc1CC[NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000423009324 500330593 /nfs/dbraw/zinc/33/05/93/500330593.db2.gz CPWOFYGWTAXPJA-OKZBNKHCSA-N 2 0 352.906 3.028 20 0 FGADRP O=C1C[C@H]([NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)CN1c1ccc(Cl)c(F)c1 ZINC000423024779 500332621 /nfs/dbraw/zinc/33/26/21/500332621.db2.gz MOTRWJOJCPEBJH-MZTNWIODSA-N 2 0 365.880 3.095 20 0 FGADRP Fc1cccc(NCCC[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000423035581 500333679 /nfs/dbraw/zinc/33/36/79/500333679.db2.gz RWSADXRKFVQDJW-TZIWHRDSSA-N 2 0 355.457 3.473 20 0 FGADRP COC[C@H](CCC[NH3+])[NH2+]Cc1cc(-c2c(OC)ccc3ccccc32)no1 ZINC000423036168 500333712 /nfs/dbraw/zinc/33/37/12/500333712.db2.gz ABVUNWKLAKILAH-INIZCTEOSA-N 2 0 369.465 3.347 20 0 FGADRP CCC(CC)(C[NH2+][C@@H]1CCOC[C@H]1[C@H](C)[NH3+])c1ccc(OC)c(OC)c1 ZINC000423044387 500334251 /nfs/dbraw/zinc/33/42/51/500334251.db2.gz BDKQDMKAYBYVBZ-RYQLBKOJSA-N 2 0 364.530 3.104 20 0 FGADRP Cc1cc(Br)cn2cc(CC[NH2+][C@@H](C)CCCC[NH3+])nc12 ZINC000423039102 500334273 /nfs/dbraw/zinc/33/42/73/500334273.db2.gz PSIKXRDNDRGVQE-ZDUSSCGKSA-N 2 0 353.308 3.055 20 0 FGADRP C[C@H](C[C@H](C)[NH3+])[NH2+]C1CCN(C(=O)c2ccccc2C(F)(F)F)CC1 ZINC000423048769 500335277 /nfs/dbraw/zinc/33/52/77/500335277.db2.gz ITCPTGOZDKACFH-QWHCGFSZSA-N 2 0 357.420 3.025 20 0 FGADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+][C@H]1CCN(c2cccc(Br)c2)C1 ZINC000423090728 500340233 /nfs/dbraw/zinc/34/02/33/500340233.db2.gz VWOZRHCHZYVSCN-USXIJHARSA-N 2 0 352.320 3.277 20 0 FGADRP FC(F)(F)C1CCN(C2CC([NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)C2)CC1 ZINC000423087748 500340247 /nfs/dbraw/zinc/34/02/47/500340247.db2.gz QGJBDAWMBAODSX-KWXGJIJISA-N 2 0 359.480 3.302 20 0 FGADRP [NH3+]CC1CCC([NH2+][C@@H](CO)c2ccc(Cl)cc2C(F)(F)F)CC1 ZINC000423097955 500341594 /nfs/dbraw/zinc/34/15/94/500341594.db2.gz RPQMDXQSMDULLW-QHAMSDLMSA-N 2 0 350.812 3.499 20 0 FGADRP C[C@@H]([NH3+])[C@H](Cc1ccccc1)NCc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000423097110 500341945 /nfs/dbraw/zinc/34/19/45/500341945.db2.gz AJDXTUKLJGOTGK-JPYJTQIMSA-N 2 0 367.537 3.208 20 0 FGADRP CCC[N@H+](C)[C@H](CN[C@H](C1CC1)[C@H]1C[NH2+]CCO1)c1ccc(Cl)cc1 ZINC000423099298 500341969 /nfs/dbraw/zinc/34/19/69/500341969.db2.gz FIHLAUOHAQKFMI-VAMGGRTRSA-N 2 0 365.949 3.080 20 0 FGADRP CCN1CCO[C@@H](C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)[C@@H]1c1ccccc1 ZINC000423102806 500342531 /nfs/dbraw/zinc/34/25/31/500342531.db2.gz KOIODMPGOWIUJV-HPAIXVDQSA-N 2 0 371.569 3.349 20 0 FGADRP FC(F)O[C@@H]1CCCC[C@H]1[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423103507 500342586 /nfs/dbraw/zinc/34/25/86/500342586.db2.gz AUCPWSPGUYUIFM-GFIVTLFCSA-N 2 0 352.425 3.382 20 0 FGADRP COC[C@H](CCC[NH3+])[NH2+][C@@H]1c2cc(Br)ccc2CC1(C)C ZINC000423123155 500345254 /nfs/dbraw/zinc/34/52/54/500345254.db2.gz DHZCTRSEECJKGR-GOEBONIOSA-N 2 0 355.320 3.416 20 0 FGADRP CC[C@@H](NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2)[C@@H]1CCC[NH2+]1 ZINC000423127573 500345827 /nfs/dbraw/zinc/34/58/27/500345827.db2.gz CCKWTZKFFOLJIJ-VSKRKVRLSA-N 3 0 371.569 3.035 20 0 FGADRP CCOC(=O)C1([C@H](C)[NH2+][C@H]2C[C@H](c3ccccc3Cl)C2)CC[NH2+]CC1 ZINC000423149529 500348281 /nfs/dbraw/zinc/34/82/81/500348281.db2.gz XRFWRYJLBGESQN-JYJNAYRXSA-N 2 0 364.917 3.497 20 0 FGADRP Cc1c(Br)cccc1C[C@@H](CO)C[NH2+][C@H](C)CCCC[NH3+] ZINC000423168790 500350726 /nfs/dbraw/zinc/35/07/26/500350726.db2.gz YOZHRZFIDSOIEF-UKRRQHHQSA-N 2 0 357.336 3.016 20 0 FGADRP C(C[NH+]1CCC(OC2CCC2)CC1)C[NH+]1CCC(OC2CCC2)CC1 ZINC000419304871 500351314 /nfs/dbraw/zinc/35/13/14/500351314.db2.gz QJZFTBLHVRPNCH-UHFFFAOYSA-N 2 0 350.547 3.444 20 0 FGADRP Cc1nc(-c2ccccc2F)sc1[C@H](C)[NH2+]CCCN1CC[NH2+]CC1 ZINC000423187236 500353538 /nfs/dbraw/zinc/35/35/38/500353538.db2.gz XODTVLQCDFAMDL-AWEZNQCLSA-N 2 0 362.518 3.204 20 0 FGADRP C[C@H]([NH2+]CC[C@@H]1CCC[NH2+]C1)c1ccc(I)cc1 ZINC000423262513 500359395 /nfs/dbraw/zinc/35/93/95/500359395.db2.gz VOMCEEQYJPPDJX-STQMWFEESA-N 2 0 358.267 3.332 20 0 FGADRP CC(C)[C@H]([NH3+])C[NH2+][C@H](C)CCc1ccc(I)cc1 ZINC000423272594 500360371 /nfs/dbraw/zinc/36/03/71/500360371.db2.gz JWJQFWQFEALQIW-IUODEOHRSA-N 2 0 360.283 3.185 20 0 FGADRP C[C@@H]([NH2+]Cc1ccc([C@H](C)[NH3+])cc1)[C@H](c1ccccc1)N1CCOCC1 ZINC000423290106 500361693 /nfs/dbraw/zinc/36/16/93/500361693.db2.gz CKHWPALETJETLQ-NJNPRVFISA-N 2 0 353.510 3.258 20 0 FGADRP CC(C)[C@H](C(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)[C@H](C)[NH3+] ZINC000423312625 500363325 /nfs/dbraw/zinc/36/33/25/500363325.db2.gz SDVGTIXIFFGMAO-KSSFIOAISA-N 2 0 351.922 3.040 20 0 FGADRP C[C@H]([NH2+]Cc1ccc2c(c1)C[NH2+]C2)c1ccc(NC(=O)NC2CC2)cc1 ZINC000423368807 500367243 /nfs/dbraw/zinc/36/72/43/500367243.db2.gz DIRYPAORMGYSIV-AWEZNQCLSA-N 2 0 350.466 3.425 20 0 FGADRP COCC1(C[NH2+][C@H](c2ccccc2)c2ccc(OC)cc2)CC[NH2+]CC1 ZINC000423410726 500371925 /nfs/dbraw/zinc/37/19/25/500371925.db2.gz SOSNVVDFWCUPGK-OAQYLSRUSA-N 2 0 354.494 3.390 20 0 FGADRP C[C@@H]([NH3+])c1ccc(C(=O)N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000423407647 500371951 /nfs/dbraw/zinc/37/19/51/500371951.db2.gz MWGHGCPTOCRXJM-MJGOQNOKSA-N 2 0 351.494 3.300 20 0 FGADRP COC[C@]1(CN[C@@H]2CCCc3cc(Br)ccc32)CCC[NH2+]1 ZINC000423409945 500371970 /nfs/dbraw/zinc/37/19/70/500371970.db2.gz CNCRRPKWWHJBPK-IAGOWNOFSA-N 2 0 353.304 3.185 20 0 FGADRP C[C@@H](Cc1ccc(F)cc1Br)[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000423423267 500373507 /nfs/dbraw/zinc/37/35/07/500373507.db2.gz BWRIZZFPWXBRRF-XNJJOIOASA-N 2 0 355.295 3.497 20 0 FGADRP CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)c1ccc([C@H](C)[NH3+])cc1 ZINC000423444049 500375673 /nfs/dbraw/zinc/37/56/73/500375673.db2.gz WFPFJBHCFOOJFZ-AWEZNQCLSA-N 2 0 359.436 3.443 20 0 FGADRP COc1cc([C@@H](C)NC[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)c(F)cn1 ZINC000423465800 500376717 /nfs/dbraw/zinc/37/67/17/500376717.db2.gz HWQLRUBBRPGYME-UKPHBRMFSA-N 2 0 361.436 3.412 20 0 FGADRP Fc1ccc([C@@H]2CC[NH2+]C[C@@H]2C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)cc1 ZINC000423479277 500377642 /nfs/dbraw/zinc/37/76/42/500377642.db2.gz UXPPDFBEEGQCHN-PPQDBTBKSA-N 2 0 358.501 3.456 20 0 FGADRP C[C@H]([NH2+][C@H]1CC[C@H](C[NH3+])C1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000423487699 500378600 /nfs/dbraw/zinc/37/86/00/500378600.db2.gz CUMHYTOWRKUJDQ-ZOBUZTSGSA-N 2 0 350.528 3.181 20 0 FGADRP C[C@H]1C[C@@H]([NH2+]C2CCC([NH+]3CCNCC3)CC2)c2ccsc2S1 ZINC000423506433 500379780 /nfs/dbraw/zinc/37/97/80/500379780.db2.gz IZCBDZVYRGKXGX-PBMMVSLJSA-N 2 0 351.585 3.480 20 0 FGADRP [NH3+]CCC[C@H]([NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1ccccc1 ZINC000423504802 500380074 /nfs/dbraw/zinc/38/00/74/500380074.db2.gz HEPHEOMELMCTQB-VWPQPMDRSA-N 3 0 351.494 3.312 20 0 FGADRP C[C@H]([NH2+][C@@H](CCC[NH3+])c1ccccc1)c1cccc(NS(C)(=O)=O)c1 ZINC000423511471 500380601 /nfs/dbraw/zinc/38/06/01/500380601.db2.gz TUOSZSMKJOHPAQ-KXBFYZLASA-N 2 0 361.511 3.189 20 0 FGADRP COc1ccccc1[C@@H](CNC(=O)C[C@H]1CCC[NH2+]CC1)[NH+]1CCCCC1 ZINC000427319009 500381111 /nfs/dbraw/zinc/38/11/11/500381111.db2.gz DAVIRHUJKMATSH-AZUAARDMSA-N 2 0 373.541 3.118 20 0 FGADRP NC1(C[NH2+][C@@H]2CCCOc3ccccc32)CC[NH+](Cc2ccccc2)CC1 ZINC000423545494 500383689 /nfs/dbraw/zinc/38/36/89/500383689.db2.gz CRTZCHPTMUQFBS-OAQYLSRUSA-N 2 0 365.521 3.483 20 0 FGADRP COc1ccc([C@@H](C)[NH2+]CC2(N)CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000423544034 500383830 /nfs/dbraw/zinc/38/38/30/500383830.db2.gz CDJOVBABHXZZNS-GOSISDBHSA-N 2 0 353.510 3.339 20 0 FGADRP c1ccc(C[N@@H+]2CC[C@H]([NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@@H]4C3)[C@H]3CCC[C@@H]32)cc1 ZINC000423549980 500384265 /nfs/dbraw/zinc/38/42/65/500384265.db2.gz NNLHJZWNWGGFIB-AJIIZAQNSA-N 3 0 353.554 3.407 20 0 FGADRP C[C@H](Cc1ccc(Br)cc1F)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000423548480 500384355 /nfs/dbraw/zinc/38/43/55/500384355.db2.gz RHXBPYIKZWRCDM-AOLWHUPESA-N 2 0 355.295 3.497 20 0 FGADRP COc1ccc2c(c1)[C@H]([NH2+]CC1(N)CC[NH+](Cc3ccccc3)CC1)CC2 ZINC000423574221 500385995 /nfs/dbraw/zinc/38/59/95/500385995.db2.gz PCFFVHUFOYYXEZ-JOCHJYFZSA-N 2 0 365.521 3.266 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NCC2CC[NH+](CCC(C)C)CC2)C[C@@H]1C ZINC000431653175 500403522 /nfs/dbraw/zinc/40/35/22/500403522.db2.gz YWTMFLNJPQXRMJ-ICSRJNTNSA-N 2 0 366.594 3.259 20 0 FGADRP O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1CCCC[NH+]1C1CCCC1 ZINC000431656063 500403942 /nfs/dbraw/zinc/40/39/42/500403942.db2.gz UFEHZECTOXFFTE-PZJWPPBQSA-N 2 0 355.526 3.174 20 0 FGADRP O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC000431656061 500404153 /nfs/dbraw/zinc/40/41/53/500404153.db2.gz UFEHZECTOXFFTE-CTNGQTDRSA-N 2 0 355.526 3.174 20 0 FGADRP CC[C@@H]1CN(C(=O)c2ccccc2CC[NH2+]C)CC[N@@H+]1Cc1ccccc1 ZINC000423832476 500408350 /nfs/dbraw/zinc/40/83/50/500408350.db2.gz XWMQIHNWFGJRGT-OAQYLSRUSA-N 2 0 365.521 3.185 20 0 FGADRP C[C@H]([NH3+])c1ccc(C(=O)N[C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000423868338 500413884 /nfs/dbraw/zinc/41/38/84/500413884.db2.gz NDELAXKEACJMLV-XGHQBKJUSA-N 2 0 351.494 3.347 20 0 FGADRP [NH3+][C@@H]1CCC[C@H]1CC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000423907637 500418358 /nfs/dbraw/zinc/41/83/58/500418358.db2.gz RONUYNURHYDODC-DOIPELPJSA-N 2 0 355.526 3.017 20 0 FGADRP C[C@@H](CNC(=O)C[C@H](c1ccccc1)[NH+](C)C)[N@@H+]1CCc2ccccc2C1 ZINC000431778004 500423479 /nfs/dbraw/zinc/42/34/79/500423479.db2.gz FXKIAJAOVLPSCG-PGRDOPGGSA-N 2 0 365.521 3.242 20 0 FGADRP CCC[NH+]1CCC(CNC(=O)N[C@H]2CCCC[C@H]2C[NH+](CC)CC)CC1 ZINC000431789690 500425002 /nfs/dbraw/zinc/42/50/02/500425002.db2.gz CFRGEHXQEVAPGM-PMACEKPBSA-N 2 0 366.594 3.308 20 0 FGADRP [NH3+]CCC[C@@H](NC(=O)c1cccc(C[NH+]2CCCC2)c1)c1ccccc1 ZINC000423968801 500426302 /nfs/dbraw/zinc/42/63/02/500426302.db2.gz KRIVQTQDVTYZJD-OAQYLSRUSA-N 2 0 351.494 3.492 20 0 FGADRP [NH3+]C[C@H]1CCCCN1CCC(=O)N[C@@H](c1cccs1)c1ccccc1 ZINC000420300656 500436834 /nfs/dbraw/zinc/43/68/34/500436834.db2.gz VBWHJEOBZBMCJX-YLJYHZDGSA-N 2 0 357.523 3.157 20 0 FGADRP COc1ccc([C@@H](C[NH3+])C[N@H+](C)Cc2ccc(OC(F)F)cc2)cc1 ZINC000420299026 500437019 /nfs/dbraw/zinc/43/70/19/500437019.db2.gz GBZSHIGFUHZCIZ-INIZCTEOSA-N 2 0 350.409 3.471 20 0 FGADRP Cc1ccc(Cl)cc1C(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000424015825 500437266 /nfs/dbraw/zinc/43/72/66/500437266.db2.gz ASNMINXBJHFIMD-UHFFFAOYSA-N 2 0 371.912 3.372 20 0 FGADRP CCOC(=O)c1nc(-c2ccccc2)oc1C[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000420305630 500438436 /nfs/dbraw/zinc/43/84/36/500438436.db2.gz GTZWDHLYLTZEMR-HNNXBMFYSA-N 2 0 357.454 3.079 20 0 FGADRP c1ccc(COc2cncc(C[N@@H+]3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)c2)cc1 ZINC000420320258 500440650 /nfs/dbraw/zinc/44/06/50/500440650.db2.gz BCKQOAJZEKOTFM-NHCUHLMSSA-N 2 0 351.494 3.482 20 0 FGADRP Cc1cc(F)ccc1N1CCC[C@@H]([NH+]2CCC([C@H]3CCC[NH2+]3)CC2)C1=O ZINC000420334237 500443215 /nfs/dbraw/zinc/44/32/15/500443215.db2.gz IWPSSFLECLXOLE-UYAOXDASSA-N 2 0 359.489 3.094 20 0 FGADRP C[C@H](NC(=O)C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1)c1ccc2ccccc2c1 ZINC000420340164 500445055 /nfs/dbraw/zinc/44/50/55/500445055.db2.gz MSPQKGBWOAEGIP-JTSKRJEESA-N 2 0 365.521 3.481 20 0 FGADRP Cc1nc([C@@H](C)[N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)oc1-c1ccc(Cl)cc1 ZINC000420347287 500446285 /nfs/dbraw/zinc/44/62/85/500446285.db2.gz GJKKBKWFSJMJIE-QAPCUYQASA-N 2 0 374.916 3.344 20 0 FGADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H](Cc2ccncc2)c2cccs2)CC1 ZINC000424272404 500479929 /nfs/dbraw/zinc/47/99/29/500479929.db2.gz UCPRCYKHJCEATD-MJGOQNOKSA-N 2 0 358.555 3.043 20 0 FGADRP CC(C)[C@H](NC(=O)C[N@@H+]1CC2(C[C@H]1C)CC[NH2+]CC2)c1ccc(F)cc1 ZINC000424285924 500481213 /nfs/dbraw/zinc/48/12/13/500481213.db2.gz GIFMMWCIRHHNJC-UZLBHIALSA-N 2 0 361.505 3.103 20 0 FGADRP C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)C[N@@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424297575 500483133 /nfs/dbraw/zinc/48/31/33/500483133.db2.gz SYROPUHKISWDQM-HOTGVXAUSA-N 2 0 363.933 3.323 20 0 FGADRP COC(=O)CC1CC([NH2+]CC2CC[NH+](Cc3ccccc3Cl)CC2)C1 ZINC000424323315 500486604 /nfs/dbraw/zinc/48/66/04/500486604.db2.gz VUQFWTWHGJAVDL-UHFFFAOYSA-N 2 0 364.917 3.483 20 0 FGADRP COc1cc(Br)ccc1C[N@@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424381426 500494195 /nfs/dbraw/zinc/49/41/95/500494195.db2.gz QSXJFMPTURSQAR-ZDUSSCGKSA-N 2 0 353.304 3.422 20 0 FGADRP C[NH+](C)C1CCC(NC(=O)NC[C@@H](C2CC2)[N@H+](C)Cc2ccccc2)CC1 ZINC000420838823 500512964 /nfs/dbraw/zinc/51/29/64/500512964.db2.gz RRKQDYHWUFYTQR-CBNMVNINSA-N 2 0 372.557 3.069 20 0 FGADRP C[NH+](C)CCNC(=O)C1CC[NH+](Cc2ccc(Cl)c3ccccc23)CC1 ZINC000420930830 500534052 /nfs/dbraw/zinc/53/40/52/500534052.db2.gz FFZPWRRPVNUMGB-UHFFFAOYSA-N 2 0 373.928 3.383 20 0 FGADRP C[C@@H]([NH2+]Cc1cccc(CN2CCOCC2)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000420949488 500538660 /nfs/dbraw/zinc/53/86/60/500538660.db2.gz QHNVYSVDUIVSLF-DENIHFKCSA-N 2 0 371.569 3.261 20 0 FGADRP CC[N@H+](CCNC(=O)N[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1)C(C)C ZINC000428695589 500545164 /nfs/dbraw/zinc/54/51/64/500545164.db2.gz WSNMKIJTZIXTRT-QUCCMNQESA-N 2 0 360.546 3.069 20 0 FGADRP CC[NH+]1CCC(N2CCC[N@H+](CCCCC3CCOCC3)CC2)CC1 ZINC000420986361 500548715 /nfs/dbraw/zinc/54/87/15/500548715.db2.gz YDGVVPZJKSNRGY-UHFFFAOYSA-N 2 0 351.579 3.075 20 0 FGADRP C[C@H](CC[NH+]1CC[C@@H](O)CC12CCC2)CC[N@@H+]1CC[C@H](O)CC12CCC2 ZINC000421012494 500554314 /nfs/dbraw/zinc/55/43/14/500554314.db2.gz TXNRVIBSGJASHD-OWZKRDHZSA-N 2 0 364.574 3.162 20 0 FGADRP C[NH+](C)CCN(Cc1ccco1)C(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000447272032 500582986 /nfs/dbraw/zinc/58/29/86/500582986.db2.gz BLKBUGZMSVGLNY-UHFFFAOYSA-N 2 0 364.534 3.007 20 0 FGADRP C[NH+](C)[C@H](CNC(=O)C[N@@H+]1CCC[C@H](c2ccccc2)C1)c1ccccc1 ZINC000433046352 500612917 /nfs/dbraw/zinc/61/29/17/500612917.db2.gz PCAVMLFTONBNTO-FCHUYYIVSA-N 2 0 365.521 3.285 20 0 FGADRP [NH3+]C1CC[NH+](CCCC(=O)N[C@H]2CCCC[C@H]2Cc2ccccc2)CC1 ZINC000433127696 500631691 /nfs/dbraw/zinc/63/16/91/500631691.db2.gz IXYUPGQOWBAZEM-FPOVZHCZSA-N 2 0 357.542 3.107 20 0 FGADRP Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)[NH2+]CCOCC[NH+](C)C ZINC000447600876 500632141 /nfs/dbraw/zinc/63/21/41/500632141.db2.gz NIPQMXWAYRIQDU-ZDUSSCGKSA-N 2 0 351.491 3.486 20 0 FGADRP COc1c(Cl)cc(NC(=O)CCC[NH+]2CCC([NH3+])CC2)cc1Cl ZINC000433143205 500634581 /nfs/dbraw/zinc/63/45/81/500634581.db2.gz XXVJSZXSRXWWAS-UHFFFAOYSA-N 2 0 360.285 3.144 20 0 FGADRP C[C@H](NC(=O)CCC[NH+]1CCC([NH3+])CC1)c1cccc(C(F)(F)F)c1 ZINC000433151134 500635290 /nfs/dbraw/zinc/63/52/90/500635290.db2.gz HSNNFAQLIHBLMW-ZDUSSCGKSA-N 2 0 357.420 3.086 20 0 FGADRP [NH3+]C1CC[NH+](CCCC(=O)Nc2ccc(C[NH+]3CCCCCC3)cc2)CC1 ZINC000433153681 500636221 /nfs/dbraw/zinc/63/62/21/500636221.db2.gz QGPJMMSPOVGTHX-UHFFFAOYSA-N 3 0 372.557 3.204 20 0 FGADRP C[NH+](C)[C@H]1CCOc2c(NC(=O)[C@H]3CCC[N@@H+]3C3CCCC3)cccc21 ZINC000447724782 500653955 /nfs/dbraw/zinc/65/39/55/500653955.db2.gz YHJFCIGMXAAOTC-RBUKOAKNSA-N 2 0 357.498 3.417 20 0 FGADRP [NH3+]CC[C@@H]1CCC[N@H+](CC(=O)Nc2ccccc2Oc2ccccc2)C1 ZINC000443061685 500671661 /nfs/dbraw/zinc/67/16/61/500671661.db2.gz SDMOCULJDAQGGC-KRWDZBQOSA-N 2 0 353.466 3.478 20 0 FGADRP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)NC[C@H]2CCC[NH+]2C2CCCCC2)C1 ZINC000437776799 500693692 /nfs/dbraw/zinc/69/36/92/500693692.db2.gz PXYYIDPNUWQEAU-AZUAARDMSA-N 2 0 364.578 3.061 20 0 FGADRP COc1ccc([C@H](CNc2cc[nH+]c3ccccc23)[NH+](C)C)cc1OC ZINC000443444933 500725736 /nfs/dbraw/zinc/72/57/36/500725736.db2.gz PVUIXPAQYRKYIZ-IBGZPJMESA-N 2 0 351.450 3.389 20 0 FGADRP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)NC[C@H](c2ccsc2)[NH+](C)C)C1 ZINC000448209492 500733614 /nfs/dbraw/zinc/73/36/14/500733614.db2.gz RJHODYVXDSZYRV-FUHWJXTLSA-N 2 0 366.575 3.018 20 0 FGADRP CC(C)[C@H](C(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)[C@H](C)[NH3+] ZINC000570712668 506214888 /nfs/dbraw/zinc/21/48/88/506214888.db2.gz NLXBGIWQFOMHFH-QGTPRVQTSA-N 2 0 351.922 3.213 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CC[NH+]([C@H](C)c3ccccc3)C2)[C@@H](C)C1 ZINC000448468115 500762368 /nfs/dbraw/zinc/76/23/68/500762368.db2.gz UAMWYAGBCUVOAE-ZSXPUABSSA-N 2 0 372.557 3.194 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)c1ccccc1CC[NH2+]C)c1ccccc1 ZINC000448551364 500771498 /nfs/dbraw/zinc/77/14/98/500771498.db2.gz LBZPOYAZXCZHQX-OAQYLSRUSA-N 2 0 353.510 3.261 20 0 FGADRP O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000438577288 500804355 /nfs/dbraw/zinc/80/43/55/500804355.db2.gz ROWVIXLZTIVDIB-QZTJIDSGSA-N 2 0 361.555 3.408 20 0 FGADRP Cc1cc(N2CCC([NH2+]C3CC[NH+]([C@H]4CCC[C@H](C)C4)CC3)CC2)n[nH]1 ZINC000439146044 500863819 /nfs/dbraw/zinc/86/38/19/500863819.db2.gz LADUXSVXIHBRPZ-JXFKEZNVSA-N 2 0 359.562 3.320 20 0 FGADRP Cc1cccc(NC(=O)[C@@H](C)N(C)C[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)c1 ZINC000434747467 500888116 /nfs/dbraw/zinc/88/81/16/500888116.db2.gz PCVIZTHSNYLXIG-LMNJBCLMSA-N 2 0 366.509 3.342 20 0 FGADRP COc1ccc(-n2cc(C[NH2+]Cc3ccc(C[NH+](C)C)cc3)cn2)cc1 ZINC000449060414 500914683 /nfs/dbraw/zinc/91/46/83/500914683.db2.gz FQGDZGDSYLTOIK-UHFFFAOYSA-N 2 0 350.466 3.232 20 0 FGADRP COCC[N@H+](C)CCC[NH2+][C@@H]1CCc2c1ccc(F)c2Br ZINC000449080827 500919135 /nfs/dbraw/zinc/91/91/35/500919135.db2.gz ZMFKFZGZEXKOMV-OAHLLOKOSA-N 2 0 359.283 3.133 20 0 FGADRP C[NH+]1CCN(Cc2ccc(C[NH2+]Cc3ccnn3C3CCCC3)cc2)CC1 ZINC000449081288 500919203 /nfs/dbraw/zinc/91/92/03/500919203.db2.gz DFDOMUSPQRGVKH-UHFFFAOYSA-N 2 0 367.541 3.035 20 0 FGADRP C[C@@H](C[NH2+]CCCC[N@@H+]1CCCC[C@@H]1C)c1ccc(S(C)(=O)=O)cc1 ZINC000449081211 500919535 /nfs/dbraw/zinc/91/95/35/500919535.db2.gz CPCUYRFQBCJNKA-ROUUACIJSA-N 2 0 366.571 3.438 20 0 FGADRP COCC1CCC([NH2+]CCCN2CC[N@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC000449079411 500919738 /nfs/dbraw/zinc/91/97/38/500919738.db2.gz YQVFGMNWGGWHLV-KITAHSCOSA-N 2 0 359.558 3.160 20 0 FGADRP CC[NH+]1CCN(Cc2ccc(C[NH2+]Cc3ccc(C)cc3OC)cc2)CC1 ZINC000449083396 500920763 /nfs/dbraw/zinc/92/07/63/500920763.db2.gz TYEOQDVMKPLHDW-UHFFFAOYSA-N 2 0 367.537 3.431 20 0 FGADRP COc1cc(F)cc(C[NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)c1 ZINC000449176025 500941730 /nfs/dbraw/zinc/94/17/30/500941730.db2.gz LQYROGKQLKCCOQ-UHFFFAOYSA-N 2 0 358.457 3.081 20 0 FGADRP COc1cc(F)cc(C[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H]2CO)c1 ZINC000449231723 500953251 /nfs/dbraw/zinc/95/32/51/500953251.db2.gz FSYZQWMBUJGQJQ-HXUWFJFHSA-N 2 0 358.457 3.081 20 0 FGADRP C[NH2+]CCC1CC[NH+](Cc2ccc(OC)c3oc(C(=O)OC)cc32)CC1 ZINC000435382344 500964570 /nfs/dbraw/zinc/96/45/70/500964570.db2.gz YYTTUUNUJKDFNO-UHFFFAOYSA-N 2 0 360.454 3.050 20 0 FGADRP C[C@H](Cc1ccccc1)[NH+]1CCC(NCCC[N@@H+]2CCCO[C@H](C)C2)CC1 ZINC000449283366 500965732 /nfs/dbraw/zinc/96/57/32/500965732.db2.gz LMOLOPMQHQPPQT-NHCUHLMSSA-N 2 0 373.585 3.173 20 0 FGADRP CN(c1ccccc1C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1)C1CC[NH+](C)CC1 ZINC000435387023 500965949 /nfs/dbraw/zinc/96/59/49/500965949.db2.gz WJBSEWOEUDOYKW-JOCHJYFZSA-N 3 0 370.585 3.181 20 0 FGADRP C[C@H]([NH3+])C1CC[NH+](Cc2nc(-c3cccc(Br)c3)c[nH]2)CC1 ZINC000435393740 500967425 /nfs/dbraw/zinc/96/74/25/500967425.db2.gz ICYVYNVYMUUBLT-LBPRGKRZSA-N 2 0 363.303 3.398 20 0 FGADRP CN(C)c1ncc(CN(Cc2ccsc2)[C@H]2CC23CC[NH2+]CC3)s1 ZINC000435426255 500972653 /nfs/dbraw/zinc/97/26/53/500972653.db2.gz HFHRJKDIMKJQCZ-INIZCTEOSA-N 2 0 362.568 3.415 20 0 FGADRP COc1ccc(CN(Cc2nccs2)[C@@H]2CC23CC[NH2+]CC3)cc1F ZINC000435426725 500972766 /nfs/dbraw/zinc/97/27/66/500972766.db2.gz JEPQHMSXXWQFRX-QGZVFWFLSA-N 2 0 361.486 3.435 20 0 FGADRP CC[NH+](CC)CCCNC(=O)C1CC[NH+](Cc2csc(C)c2)CC1 ZINC000449321249 500976971 /nfs/dbraw/zinc/97/69/71/500976971.db2.gz RSYNLUOSOMWFOX-UHFFFAOYSA-N 2 0 351.560 3.117 20 0 FGADRP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]C[C@@H](O)Cc2cccc(F)c2)CC1 ZINC000449363708 500987638 /nfs/dbraw/zinc/98/76/38/500987638.db2.gz QIKQUMZNLOYUOK-MBSDFSHPSA-N 2 0 370.512 3.414 20 0 FGADRP CCOc1ccccc1[C@@H](CC)NC(=O)CN(CC)[C@@H]1CCC[NH2+]CC1 ZINC000435629449 501004662 /nfs/dbraw/zinc/00/46/62/501004662.db2.gz XLLZEVAJHLKWSA-IEBWSBKVSA-N 2 0 361.530 3.117 20 0 FGADRP COc1cc(OC)c(C[C@@H](C)[NH2+]C2CC[NH+](C(C)(C)C)CC2)c(OC)c1 ZINC000449469356 501011061 /nfs/dbraw/zinc/01/10/61/501011061.db2.gz TWKGFPNNCCNCHP-OAHLLOKOSA-N 2 0 364.530 3.496 20 0 FGADRP Cn1ccnc1CN(Cc1ccc2ccccc2n1)[C@H]1CC12CC[NH2+]CC2 ZINC000435685829 501011229 /nfs/dbraw/zinc/01/12/29/501011229.db2.gz ZUVZKOVZZXXLRB-FQEVSTJZSA-N 2 0 361.493 3.113 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000435891428 501042062 /nfs/dbraw/zinc/04/20/62/501042062.db2.gz FFNTVYGFWCZDHN-NQSCKRDGSA-N 2 0 355.526 3.067 20 0 FGADRP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCC1([NH+](C)C)CCC1 ZINC000445871190 501044870 /nfs/dbraw/zinc/04/48/70/501044870.db2.gz JENHCUSSWBVXTM-FQEVSTJZSA-N 2 0 372.557 3.024 20 0 FGADRP FC(F)(F)c1cc(C[NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)[nH]n1 ZINC000440827473 501053584 /nfs/dbraw/zinc/05/35/84/501053584.db2.gz QREWGRACRCKGPY-UHFFFAOYSA-N 2 0 368.403 3.193 20 0 FGADRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2ccc(C)c(Br)c2)CC1 ZINC000449744451 501072977 /nfs/dbraw/zinc/07/29/77/501072977.db2.gz HFSXMYIZWWJNJX-UHFFFAOYSA-N 2 0 368.363 3.263 20 0 FGADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+](C)C1CCN(CC(F)(F)F)CC1 ZINC000449760849 501078818 /nfs/dbraw/zinc/07/88/18/501078818.db2.gz RWSWAXKAMRZRHC-UHFFFAOYSA-N 2 0 367.419 3.034 20 0 FGADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+][C@H]3CCO[C@@H](c4nccn4C)C3)CC2)C1 ZINC000449777814 501084050 /nfs/dbraw/zinc/08/40/50/501084050.db2.gz VPFUFXYIHBIGMK-BTHPGYMESA-N 2 0 360.546 3.273 20 0 FGADRP CC(C)Oc1ccc2[nH+]ccc(N3C[C@H](C)[C@H]([NH+]4CCOCC4)C3)c2c1 ZINC000450372313 501102725 /nfs/dbraw/zinc/10/27/25/501102725.db2.gz OAHZZCSBMHSSEJ-HRAATJIYSA-N 2 0 355.482 3.179 20 0 FGADRP O=C(NCC1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC000450386924 501108109 /nfs/dbraw/zinc/10/81/09/501108109.db2.gz IBBSMJZKZQYRHQ-NRFANRHFSA-N 2 0 370.541 3.211 20 0 FGADRP CC[C@@H](Cc1ccc(C)cc1)[N@H+](CC)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000441349156 501125227 /nfs/dbraw/zinc/12/52/27/501125227.db2.gz DZWRZUDBDMMFLZ-NRFANRHFSA-N 2 0 371.569 3.381 20 0 FGADRP C[N@@H+]1CCN(CC[NH2+]Cc2cc(Br)ccc2Cl)CC1(C)C ZINC000441380901 501130497 /nfs/dbraw/zinc/13/04/97/501130497.db2.gz LHSBYPDUMHGWAF-UHFFFAOYSA-N 2 0 374.754 3.218 20 0 FGADRP C[N@H+](CC(=O)Nc1ccc(CN2CCOCC2)cc1)C1CCC(C)(C)CC1 ZINC000446710433 501154823 /nfs/dbraw/zinc/15/48/23/501154823.db2.gz FKNUQXOQVXXRLZ-UHFFFAOYSA-N 2 0 373.541 3.358 20 0 FGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+][C@@H](C)Cc2cnccn2)CC1 ZINC000453094063 501267625 /nfs/dbraw/zinc/26/76/25/501267625.db2.gz GKXLKMPLJIOEBW-IRXDYDNUSA-N 2 0 371.504 3.039 20 0 FGADRP CCC(CC)[C@H](CNC(=O)NCC1([NH+](C)C)CCCC1)[NH+]1CCCC1 ZINC000611647499 506243552 /nfs/dbraw/zinc/24/35/52/506243552.db2.gz JCVAJOWTYFNCQI-SFHVURJKSA-N 2 0 352.567 3.061 20 0 FGADRP CC1CC[NH+](Cc2ccc(CNC(=O)NC(C)(C)C[NH+](C)C)cc2)CC1 ZINC000457659862 501280251 /nfs/dbraw/zinc/28/02/51/501280251.db2.gz RULVJPPZGWLQNJ-UHFFFAOYSA-N 2 0 360.546 3.058 20 0 FGADRP CC[C@@H](CNC(=O)NC(C)(C)CCC[NH+](C)C)[N@@H+]1CCc2ccccc2C1 ZINC000457705441 501291805 /nfs/dbraw/zinc/29/18/05/501291805.db2.gz ZJHAMTANGCJLHK-FQEVSTJZSA-N 2 0 374.573 3.243 20 0 FGADRP CCn1cccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)c1=O ZINC000453208532 501292076 /nfs/dbraw/zinc/29/20/76/501292076.db2.gz BYLUZACOOSBVIP-VSKRKVRLSA-N 2 0 365.521 3.401 20 0 FGADRP OC[C@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21)c1cccnc1 ZINC000453234376 501295387 /nfs/dbraw/zinc/29/53/87/501295387.db2.gz SGHYOGRHIVUWHO-MYDTUXCISA-N 2 0 365.521 3.190 20 0 FGADRP Cc1nnc(CC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)s1 ZINC000453251131 501299173 /nfs/dbraw/zinc/29/91/73/501299173.db2.gz LCQQHDNVQNXGQY-OTWHNJEPSA-N 2 0 356.539 3.422 20 0 FGADRP CCCOc1c(OC)cc(CC[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)cc1OC ZINC000453312569 501312883 /nfs/dbraw/zinc/31/28/83/501312883.db2.gz VGVFAIVQUQNVTP-NVXWUHKLSA-N 2 0 350.503 3.107 20 0 FGADRP CN1CCO[C@@H]([C@H]([NH2+]CCCC[N@H+](C)C2CC2)c2ccc(Cl)cc2)C1 ZINC000453420159 501328138 /nfs/dbraw/zinc/32/81/38/501328138.db2.gz ZJSCITQISRNFCX-WOJBJXKFSA-N 2 0 365.949 3.176 20 0 FGADRP CO[C@@H]1CC[N@H+](Cc2ccc(C[NH+]3CC[C@H](OC)[C@H](C)C3)cc2)C[C@H]1C ZINC000451574685 501328525 /nfs/dbraw/zinc/32/85/25/501328525.db2.gz RUXGPSBUOFHTJR-YHBROIRLSA-N 2 0 360.542 3.400 20 0 FGADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@H](c1cccs1)C(C)(C)CO ZINC000453578070 501352118 /nfs/dbraw/zinc/35/21/18/501352118.db2.gz PPFDZGQMUYPWSU-GOSISDBHSA-N 2 0 356.495 3.487 20 0 FGADRP Cn1nncc1C[N@@H+]1CCCCC[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000453597253 501357624 /nfs/dbraw/zinc/35/76/24/501357624.db2.gz LEWJAVAYGABTEB-JOCHJYFZSA-N 2 0 367.541 3.472 20 0 FGADRP CC1(C)C[C@@H](O)CC[N@H+](CCCCC[NH+]2CC[C@@H](O)CC(C)(C)C2)C1 ZINC000451816916 501378724 /nfs/dbraw/zinc/37/87/24/501378724.db2.gz YNYIRGGGUUWKMF-KDURUIRLSA-N 2 0 354.579 3.123 20 0 FGADRP CCCc1nc2ccccc2n1CCC(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000458174702 501384724 /nfs/dbraw/zinc/38/47/24/501384724.db2.gz CJXLBPZNAGBIFG-KRWDZBQOSA-N 2 0 356.514 3.227 20 0 FGADRP Cc1cc(NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)ccc1OCC[NH+](C)C ZINC000458206652 501393088 /nfs/dbraw/zinc/39/30/88/501393088.db2.gz ZVFFQULPCHANFQ-IBGZPJMESA-N 2 0 359.514 3.281 20 0 FGADRP C[N@@H+]1CCC[C@@H](CCNC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000458236643 501400537 /nfs/dbraw/zinc/40/05/37/501400537.db2.gz YVLHIPWSUPMLJM-FQEVSTJZSA-N 2 0 357.542 3.137 20 0 FGADRP C[C@H]1CCC(C)(C)[N@@H+]1CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000452019749 501419703 /nfs/dbraw/zinc/41/97/03/501419703.db2.gz YZNHNUMFDMFLKM-INIZCTEOSA-N 2 0 361.555 3.437 20 0 FGADRP Cc1ccccc1OC[C@@H](O)C[N@@H+](C)C1CCN(CCC(F)(F)F)CC1 ZINC000452118448 501438896 /nfs/dbraw/zinc/43/88/96/501438896.db2.gz PCKVKUCWCABUSG-KRWDZBQOSA-N 2 0 374.447 3.083 20 0 FGADRP C[NH+](C)CC[C@H](NC(=O)N(CC[NH+](C)C)Cc1ccsc1)C(C)(C)C ZINC000458430784 501443116 /nfs/dbraw/zinc/44/31/16/501443116.db2.gz YFLAXARFSMEGDI-KRWDZBQOSA-N 2 0 368.591 3.188 20 0 FGADRP CSC1(C[NH2+]Cc2ccc3ccc(F)c(F)c3n2)CC[NH+](C)CC1 ZINC000602668888 506254528 /nfs/dbraw/zinc/25/45/28/506254528.db2.gz XVPKHWPCIKEQBU-UHFFFAOYSA-N 2 0 351.466 3.430 20 0 FGADRP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)N[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C)C1 ZINC000458519182 501464604 /nfs/dbraw/zinc/46/46/04/501464604.db2.gz WCDFCTBHJUHCAR-HMXCVIKNSA-N 2 0 372.557 3.021 20 0 FGADRP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)N[C@@H](C)[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000458689413 501508726 /nfs/dbraw/zinc/50/87/26/501508726.db2.gz SSDAQFLKZRALHV-CEWLAPEOSA-N 2 0 372.557 3.021 20 0 FGADRP Cc1ccccc1[C@H]([C@H](C)NC(=O)NC1CC[NH+](C2CCC2)CC1)[NH+](C)C ZINC000458788369 501531705 /nfs/dbraw/zinc/53/17/05/501531705.db2.gz XYQBGUSALKYHCA-UWJYYQICSA-N 2 0 372.557 3.302 20 0 FGADRP CC[NH+](CC)CC1CCN(C(=O)N[C@@H](CC(C)C)C[NH+]2CCCC2)CC1 ZINC000458935360 501561911 /nfs/dbraw/zinc/56/19/11/501561911.db2.gz LUTRZLRHFPTUBG-FQEVSTJZSA-N 2 0 366.594 3.260 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)NCC[C@H]1CCC[NH+](C)C1 ZINC000459271215 501622913 /nfs/dbraw/zinc/62/29/13/501622913.db2.gz VWYGNNJCALUANY-TZIWHRDSSA-N 2 0 372.557 3.024 20 0 FGADRP CC[C@@H]1CN(C(=O)NCC[C@@H]2CCC[NH+](C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000459330828 501632072 /nfs/dbraw/zinc/63/20/72/501632072.db2.gz ZVCZMROBCDYNFB-LEWJYISDSA-N 2 0 372.557 3.024 20 0 FGADRP CC[C@@H]1CN(C(=O)NCC[C@H]2CCC[NH+](C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000459330829 501632221 /nfs/dbraw/zinc/63/22/21/501632221.db2.gz ZVCZMROBCDYNFB-NHCUHLMSSA-N 2 0 372.557 3.024 20 0 FGADRP CCOc1cc(C[NH+]2CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)ccc1O ZINC000459329958 501632266 /nfs/dbraw/zinc/63/22/66/501632266.db2.gz RYMJXRBBLGPZPN-IAGOWNOFSA-N 2 0 362.514 3.112 20 0 FGADRP CC(C)(C)C1CC([NH2+]Cc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)C1 ZINC000459428869 501652541 /nfs/dbraw/zinc/65/25/41/501652541.db2.gz OQZVJIFGKMYFRA-HDYDNRTBSA-N 2 0 357.542 3.298 20 0 FGADRP Cc1nc(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)sc1Br ZINC000459571219 501679066 /nfs/dbraw/zinc/67/90/66/501679066.db2.gz OTYJSSAHGGGAAX-UHFFFAOYSA-N 2 0 367.316 3.368 20 0 FGADRP C[N@@H+]1CCC[C@@H](CC[NH2+]Cc2csc(-c3ccc4c(c3)OCO4)n2)C1 ZINC000459743211 501707507 /nfs/dbraw/zinc/70/75/07/501707507.db2.gz WXNMORDOTNHCDB-AWEZNQCLSA-N 2 0 359.495 3.360 20 0 FGADRP CCC[C@@H]([NH2+]CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)C1CCC1 ZINC000459810314 501717494 /nfs/dbraw/zinc/71/74/94/501717494.db2.gz TXKWTCQPISDUML-OAQYLSRUSA-N 2 0 357.542 3.457 20 0 FGADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)N[C@H](C[NH+]1CCCC1)c1ccc(OC)cc1 ZINC000477618926 501739669 /nfs/dbraw/zinc/73/96/69/501739669.db2.gz AZSKTZNAKUDWIY-QFBILLFUSA-N 2 0 361.530 3.115 20 0 FGADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NC[C@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000470600717 501739847 /nfs/dbraw/zinc/73/98/47/501739847.db2.gz MXYSTELQSAKUJP-CKEIUWERSA-N 2 0 371.447 3.297 20 0 FGADRP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000470603049 501740119 /nfs/dbraw/zinc/74/01/19/501740119.db2.gz SAZSSKJTXLBWRD-DLBZAZTESA-N 2 0 371.447 3.299 20 0 FGADRP CCCC[N@H+](C)C[C@H](C)NC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000460178690 501750071 /nfs/dbraw/zinc/75/00/71/501750071.db2.gz WJZLVKWCOCOKIQ-IBGZPJMESA-N 2 0 374.573 3.379 20 0 FGADRP C[NH+](C)CC1(C(=O)NCCC[N@@H+]2CCc3ccccc3C2)CCCCC1 ZINC000460196257 501756338 /nfs/dbraw/zinc/75/63/38/501756338.db2.gz VLATXHVRRRUPHW-UHFFFAOYSA-N 2 0 357.542 3.063 20 0 FGADRP O=C(NCC[N@H+]1CC=CCC1)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000474256347 501763489 /nfs/dbraw/zinc/76/34/89/501763489.db2.gz TZERNZQBBSKBAX-UHFFFAOYSA-N 2 0 370.541 3.124 20 0 FGADRP COc1cc2c(cc1F)CC[C@@H]2[NH2+]CCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000467337676 501773795 /nfs/dbraw/zinc/77/37/95/501773795.db2.gz FDEHTJVUUHBYCP-DOXZYTNZSA-N 2 0 350.478 3.301 20 0 FGADRP Cc1cccc(C[C@H](CO)[NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)c1 ZINC000467353854 501775641 /nfs/dbraw/zinc/77/56/41/501775641.db2.gz BDOGAUCHSSZOBQ-JLLPCOHGSA-N 2 0 364.533 3.399 20 0 FGADRP CC(C)[NH+](CCNC(=O)N(C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1)C(C)C ZINC000470752965 501791687 /nfs/dbraw/zinc/79/16/87/501791687.db2.gz CLADIQDKBFFPNA-OAQYLSRUSA-N 2 0 374.573 3.411 20 0 FGADRP Cc1ccccc1[C@H]([C@@H](C)NC(=O)NC1CC[NH+](CC(C)C)CC1)[NH+](C)C ZINC000477877164 501817169 /nfs/dbraw/zinc/81/71/69/501817169.db2.gz KLDXNRAYHALGPU-NQIIRXRSSA-N 2 0 374.573 3.406 20 0 FGADRP CCCN(CC[NH+]1CCCCCC1)C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000460465545 501830006 /nfs/dbraw/zinc/83/00/06/501830006.db2.gz FWAKRPAAQGMAQE-RTBURBONSA-N 2 0 352.567 3.157 20 0 FGADRP CCCC[N@H+](C)C[C@H](C)NC(=O)N[C@H]1CC[NH+](Cc2ccccc2)C[C@@H]1C ZINC000460484405 501836489 /nfs/dbraw/zinc/83/64/89/501836489.db2.gz XDJVCJDKXICNTF-ZJOUEHCJSA-N 2 0 374.573 3.317 20 0 FGADRP CCCC[N@H+](C)C[C@H](C)NC(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C[C@H]1C ZINC000460484404 501836598 /nfs/dbraw/zinc/83/65/98/501836598.db2.gz XDJVCJDKXICNTF-SVFBPWRDSA-N 2 0 374.573 3.317 20 0 FGADRP CC(C)[NH+]1CCC(O)(C[NH2+][C@H](C)Cc2ccccc2C(F)(F)F)CC1 ZINC000481657260 501841959 /nfs/dbraw/zinc/84/19/59/501841959.db2.gz ZQAQQFQTEKWTNE-OAHLLOKOSA-N 2 0 358.448 3.461 20 0 FGADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)N(C)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000470885625 501842438 /nfs/dbraw/zinc/84/24/38/501842438.db2.gz FAASFIBDSMGCMR-RTWAWAEBSA-N 2 0 372.557 3.167 20 0 FGADRP CCOC[C@@H]1CCC[C@H]1[NH2+]Cc1ccccc1CN1CC[NH+](CC)CC1 ZINC000474464487 501844465 /nfs/dbraw/zinc/84/44/65/501844465.db2.gz POTKKULXSZNUDL-FCHUYYIVSA-N 2 0 359.558 3.119 20 0 FGADRP CCOC(=O)C1(C)CCC([NH2+]Cc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000474477066 501849650 /nfs/dbraw/zinc/84/96/50/501849650.db2.gz YXTXOYLVTOELMH-UHFFFAOYSA-N 2 0 362.514 3.229 20 0 FGADRP C[C@@H]1[C@@H](NC(=O)NC(C)(C)CCC[NH+](C)C)CC[N@@H+]1Cc1ccccc1 ZINC000458776453 501869784 /nfs/dbraw/zinc/86/97/84/501869784.db2.gz NLTSJHTXULOFDN-MJGOQNOKSA-N 2 0 360.546 3.069 20 0 FGADRP CC(C)[C@@H](CNC(=O)NCc1ccc(C[NH+](C)C)cc1)[NH+]1CCCCCC1 ZINC000611737976 506278879 /nfs/dbraw/zinc/27/88/79/506278879.db2.gz CBYIQISVNAHTFJ-OAQYLSRUSA-N 2 0 374.573 3.448 20 0 FGADRP C[NH+](C)CCOc1ccc(C[NH2+]C2CC(OCc3ccccc3)C2)cc1 ZINC000464086175 501895689 /nfs/dbraw/zinc/89/56/89/501895689.db2.gz TYSSJNHNQMOTNX-UHFFFAOYSA-N 2 0 354.494 3.464 20 0 FGADRP CCC(CC)[C@H](CNC(=O)N[C@@H](c1nccn1C)C1CC1)[NH+]1CCCC1 ZINC000478168543 501899094 /nfs/dbraw/zinc/89/90/94/501899094.db2.gz DBSVVQOWQSSRLH-ZWKOTPCHSA-N 2 0 361.534 3.071 20 0 FGADRP CC[N@@H+]1CC[C@H]([NH+](C)CCC(=O)Nc2ccc(OC)c(Cl)c2)[C@H](C)C1 ZINC000485677628 501899226 /nfs/dbraw/zinc/89/92/26/501899226.db2.gz GFNBQKYECNNKIY-PBHICJAKSA-N 2 0 367.921 3.339 20 0 FGADRP COC(=O)C[C@@H]1CC[C@@H]([NH2+]CC2CC[NH+](Cc3ccccc3)CC2)[C@@H]1C ZINC000474631146 501901124 /nfs/dbraw/zinc/90/11/24/501901124.db2.gz MPUUYOZRESKBST-JRGCBEDISA-N 2 0 358.526 3.466 20 0 FGADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H](C)Cc2ccccc2C(F)(F)F)CC1 ZINC000481913282 501916228 /nfs/dbraw/zinc/91/62/28/501916228.db2.gz FAGBTNMRQFIATG-JKSUJKDBSA-N 2 0 357.464 3.252 20 0 FGADRP CC(C)C[NH+]1CCC([NH2+]C[C@H](O)Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000582541685 506283968 /nfs/dbraw/zinc/28/39/68/506283968.db2.gz NSCHDFARUIVXSS-GOSISDBHSA-N 2 0 358.448 3.319 20 0 FGADRP O=C(Nc1ccc(C[NH+]2CCCCCC2)cc1)c1cc([C@H]2CC[NH2+]C2)[nH]n1 ZINC000485816967 501949698 /nfs/dbraw/zinc/94/96/98/501949698.db2.gz UBUXHDLZGJBGHN-KRWDZBQOSA-N 2 0 367.497 3.115 20 0 FGADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCOc2ccc(Br)cc2)[C@H](C)C1 ZINC000471244293 501966767 /nfs/dbraw/zinc/96/67/67/501966767.db2.gz PFOXBUREHOXWQN-RHSMWYFYSA-N 2 0 355.320 3.490 20 0 FGADRP CC(C)[NH+]1CCC(N2CC[NH+](CC[C@H](C)OCc3ccccc3)CC2)CC1 ZINC000474966393 502006382 /nfs/dbraw/zinc/00/63/82/502006382.db2.gz KUPJPZBVZOLCHI-NRFANRHFSA-N 2 0 373.585 3.472 20 0 FGADRP CC(C)[NH+]1CCN(C2CC[NH+](CC[C@H](C)OCc3ccccc3)CC2)CC1 ZINC000474979547 502010809 /nfs/dbraw/zinc/01/08/09/502010809.db2.gz TVNYFUOFEJSRFV-NRFANRHFSA-N 2 0 373.585 3.472 20 0 FGADRP CN(C(=O)NCC(C)(C)[NH+]1CCCCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475020051 502023671 /nfs/dbraw/zinc/02/36/71/502023671.db2.gz XFQRGFCIZWBOOD-FQEVSTJZSA-N 2 0 372.557 3.167 20 0 FGADRP CC(C)N(CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)Cc1cccc(F)c1 ZINC000475029074 502027731 /nfs/dbraw/zinc/02/77/31/502027731.db2.gz BUXVSLZDGAPSPN-OAQYLSRUSA-N 2 0 371.500 3.455 20 0 FGADRP C[NH+](C)[C@H](CNC(=O)C[N@@H+]1CC[C@@](C)(c2ccccc2)C1)c1ccccc1 ZINC000475042311 502032521 /nfs/dbraw/zinc/03/25/21/502032521.db2.gz WVVAEXPYWMVXNA-FYYLOGMGSA-N 2 0 365.521 3.069 20 0 FGADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCc1ccccc1C[NH+]1CCC[C@@H](C)C1 ZINC000468416441 502053662 /nfs/dbraw/zinc/05/36/62/502053662.db2.gz ILFDQWPRKAHHRE-QRVBRYPASA-N 2 0 357.542 3.408 20 0 FGADRP Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)CC1CC[NH+](C)CC1 ZINC000486136884 502059664 /nfs/dbraw/zinc/05/96/64/502059664.db2.gz MOZICDZFNQOAMZ-UHFFFAOYSA-N 2 0 361.555 3.214 20 0 FGADRP Cc1cccc(C)c1[C@H](C)[NH2+]CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000475126772 502069169 /nfs/dbraw/zinc/06/91/69/502069169.db2.gz GSJQOULKYJOZON-ICSRJNTNSA-N 2 0 353.510 3.373 20 0 FGADRP C[C@@H](CNC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCC(C)CC1 ZINC000475128159 502069545 /nfs/dbraw/zinc/06/95/45/502069545.db2.gz FWYCIUULSUMLGB-PZJWPPBQSA-N 2 0 372.557 3.023 20 0 FGADRP C[C@@H](C[NH2+][C@@H](C)c1ccc(-c2ccncc2)cc1)CN1CC[NH+](C)CC1 ZINC000482451265 502071963 /nfs/dbraw/zinc/07/19/63/502071963.db2.gz RTZVTQAVNBTCBU-OALUTQOASA-N 2 0 352.526 3.283 20 0 FGADRP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000478759812 502077601 /nfs/dbraw/zinc/07/76/01/502077601.db2.gz JIDXUPPWGGRBAA-SFHVURJKSA-N 2 0 352.567 3.062 20 0 FGADRP C[NH+](C)[C@@H](CNC(=O)C[NH2+]C1(c2ccccc2)CCCC1)c1ccccc1 ZINC000475149403 502081520 /nfs/dbraw/zinc/08/15/20/502081520.db2.gz DMDWRHPSLSBWST-NRFANRHFSA-N 2 0 365.521 3.465 20 0 FGADRP C[N@H+](CC1CCN(c2cc[nH+]cc2)CC1)[C@H]1CCCN(CC(C)(C)C)C1=O ZINC000461378073 502086112 /nfs/dbraw/zinc/08/61/12/502086112.db2.gz XALWATNPFPZNDC-FQEVSTJZSA-N 2 0 372.557 3.267 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@H](C)c1cc2ccccc2o1 ZINC000482526067 502099988 /nfs/dbraw/zinc/09/99/88/502099988.db2.gz SMULXXFKAZXGSZ-MJGOQNOKSA-N 2 0 371.525 3.411 20 0 FGADRP C[C@H]([NH2+]CCCN1CCC[N@H+](C)CC1)c1ccc(-c2ccncc2)cc1 ZINC000482568662 502113782 /nfs/dbraw/zinc/11/37/82/502113782.db2.gz IIGAGYDLUBAXMG-IBGZPJMESA-N 2 0 352.526 3.427 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)C[C@@H](C2CC2)O1 ZINC000475277166 502115660 /nfs/dbraw/zinc/11/56/60/502115660.db2.gz DKAUNUALKUJAND-VGSWGCGISA-N 2 0 357.542 3.216 20 0 FGADRP C[N@@H+]1CCCC[C@@H]1CCC(=O)N1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000461448081 502117745 /nfs/dbraw/zinc/11/77/45/502117745.db2.gz OTISRGJYVFNZJX-FDFHNCONSA-N 2 0 369.553 3.231 20 0 FGADRP CC[C@H](C(=O)NC1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C)[NH+](CC)CC ZINC000461451929 502119849 /nfs/dbraw/zinc/11/98/49/502119849.db2.gz GOVAZFMJJJWADX-CMKODMSKSA-N 2 0 359.558 3.380 20 0 FGADRP CC[NH+](CC)CCOC1CC[NH+](Cc2cc(C(=O)OC)sc2C)CC1 ZINC000464898887 502139996 /nfs/dbraw/zinc/13/99/96/502139996.db2.gz RJUKPTBFFKVPFE-UHFFFAOYSA-N 2 0 368.543 3.166 20 0 FGADRP C[C@H](NC(=O)NCC(C)(C)C[NH+]1CCCC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000479063804 502151507 /nfs/dbraw/zinc/15/15/07/502151507.db2.gz PPFYSZYATYRZGD-ZWKOTPCHSA-N 2 0 364.578 3.061 20 0 FGADRP COc1cccc([C@H](C)N2CCN(C(=O)[C@@H](C)[NH+]3CCCCCC3)CC2)c1 ZINC000468776348 502178890 /nfs/dbraw/zinc/17/88/90/502178890.db2.gz AYFCVPKNKNLACW-RBUKOAKNSA-N 2 0 373.541 3.165 20 0 FGADRP [NH3+]C[C@@H](C(=O)NCc1ccccc1C[NH+]1CCCCC1)c1ccc(F)cc1 ZINC000479185647 502186434 /nfs/dbraw/zinc/18/64/34/502186434.db2.gz KZOLIKWMIQUKFQ-OAQYLSRUSA-N 2 0 369.484 3.170 20 0 FGADRP C[C@@H](CSc1nnc(CN2CCCCC2)n1-c1ccccc1)[NH+](C)C ZINC000479204558 502191965 /nfs/dbraw/zinc/19/19/65/502191965.db2.gz BSUVWFQTIRBJQD-INIZCTEOSA-N 2 0 359.543 3.295 20 0 FGADRP CC[C@@H](C)C[N@H+](CC)CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000482889244 502207462 /nfs/dbraw/zinc/20/74/62/502207462.db2.gz LMAOIYYIWAQLDX-GOSISDBHSA-N 2 0 359.558 3.444 20 0 FGADRP CCN(CCC[NH+]1CCCC1)C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000472076925 502222604 /nfs/dbraw/zinc/22/26/04/502222604.db2.gz XADOPTMKFBEISQ-OAQYLSRUSA-N 2 0 372.557 3.168 20 0 FGADRP CCC[NH+]1CCC([NH2+][C@H](C)CCCCN2C(=O)c3ccccc3C2=O)CC1 ZINC000472143727 502246767 /nfs/dbraw/zinc/24/67/67/502246767.db2.gz HDUUFMQPDJPAKK-QGZVFWFLSA-N 2 0 371.525 3.305 20 0 FGADRP CC(C)OCC[C@H](O)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000472150673 502248751 /nfs/dbraw/zinc/24/87/51/502248751.db2.gz FEHBUZOGQPTRJF-BHIFYINESA-N 2 0 360.542 3.149 20 0 FGADRP C[C@@H]1CCN(C(=O)NCC2([NH+](C)C)CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000465395782 502249646 /nfs/dbraw/zinc/24/96/46/502249646.db2.gz AHZYLBPPUXBDSD-LJQANCHMSA-N 2 0 372.557 3.167 20 0 FGADRP CC[NH+](CC)CCCNC(=O)N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000465458095 502269382 /nfs/dbraw/zinc/26/93/82/502269382.db2.gz YSHDOCIAUDAURH-IBGZPJMESA-N 2 0 360.546 3.024 20 0 FGADRP CC(C)[NH+]1CCC(C(=O)N2CCC[N@H+](CCCc3ccccc3)CC2)CC1 ZINC000462003384 502269716 /nfs/dbraw/zinc/26/97/16/502269716.db2.gz BDGRGWBDDFUMGY-UHFFFAOYSA-N 2 0 371.569 3.274 20 0 FGADRP CC(C)[N@@H+](C)C[C@H](C)NC(=O)N1CCC(CC[NH+]2CCCC[C@H]2C)CC1 ZINC000462004486 502270975 /nfs/dbraw/zinc/27/09/75/502270975.db2.gz ADWDSVFBLNHGRT-RBUKOAKNSA-N 2 0 366.594 3.401 20 0 FGADRP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000479478794 502271504 /nfs/dbraw/zinc/27/15/04/502271504.db2.gz XMYNIPXLJHUBHQ-GOSISDBHSA-N 2 0 357.542 3.475 20 0 FGADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](CCC(=O)Nc2ccc(Cl)cc2)C1 ZINC000472258869 502286839 /nfs/dbraw/zinc/28/68/39/502286839.db2.gz KRUSYBNCKSQDKR-GOSISDBHSA-N 2 0 367.921 3.101 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)NCc1ccc(C[NH+]2CCC[C@@H](C)C2)cc1 ZINC000465545171 502300863 /nfs/dbraw/zinc/30/08/63/502300863.db2.gz BMIPOEZOIPBTCY-WIYYLYMNSA-N 2 0 372.557 3.202 20 0 FGADRP C[C@@H]1C[C@@H](NC(=O)NCc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)CC[NH+]1C ZINC000465553278 502305824 /nfs/dbraw/zinc/30/58/24/502305824.db2.gz QXOICVYWBCMRFI-UEXGIBASSA-N 2 0 372.557 3.343 20 0 FGADRP C[C@@H]1C[C@H](NC(=O)NCc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)CC[NH+]1C ZINC000465553281 502305875 /nfs/dbraw/zinc/30/58/75/502305875.db2.gz QXOICVYWBCMRFI-WAOWUJCRSA-N 2 0 372.557 3.343 20 0 FGADRP O[C@]1(C[NH2+][C@H]2Cc3ccc(Cl)cc3C2)CCN(Cc2ccccc2)C1 ZINC000462115148 502311259 /nfs/dbraw/zinc/31/12/59/502311259.db2.gz DASLLTQQZXSXHE-SFTDATJTSA-N 2 0 356.897 3.034 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CNC(=O)NCc1ccccc1C[NH+]1CCCC[C@H]1C ZINC000465581311 502315312 /nfs/dbraw/zinc/31/53/12/502315312.db2.gz YFZFBTOHVJIPRC-NQIIRXRSSA-N 2 0 372.557 3.345 20 0 FGADRP C[C@H](CC[NH+](C)C)NC(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000475902875 502327240 /nfs/dbraw/zinc/32/72/40/502327240.db2.gz XFPUBIOKFHDENK-DENIHFKCSA-N 2 0 372.557 3.024 20 0 FGADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)NCCCN(CC)c2ccccc2)C1 ZINC000465626627 502329960 /nfs/dbraw/zinc/32/99/60/502329960.db2.gz JAKOHJIIIQUSNU-IBGZPJMESA-N 2 0 360.546 3.276 20 0 FGADRP Cc1cc(C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)c(C)cc1Cl ZINC000475920352 502333264 /nfs/dbraw/zinc/33/32/64/502333264.db2.gz PTIATWHHOCIKKC-UHFFFAOYSA-N 2 0 353.938 3.302 20 0 FGADRP C[C@@H](NC(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1)[C@H](c1ccccc1)[NH+](C)C ZINC000479680746 502342318 /nfs/dbraw/zinc/34/23/18/502342318.db2.gz YFTUEAOXZSBUIC-SFHLNBCPSA-N 2 0 374.573 3.489 20 0 FGADRP O=C(c1c(Cl)cccc1Cl)N1CC[NH+](CCC2CC[NH2+]CC2)CC1 ZINC000479683251 502342582 /nfs/dbraw/zinc/34/25/82/502342582.db2.gz FKWCPXNQMGOXDG-UHFFFAOYSA-N 2 0 370.324 3.141 20 0 FGADRP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+](CC2CC2)C2CCC2)CC1 ZINC000483304647 502345619 /nfs/dbraw/zinc/34/56/19/502345619.db2.gz QPUIOLPSWDTVPL-UHFFFAOYSA-N 2 0 369.553 3.340 20 0 FGADRP CC(C)[C@H]1CN(C(=O)NCc2ccccc2C[NH+](C)C(C)C)CC[N@@H+]1C ZINC000487086993 502354288 /nfs/dbraw/zinc/35/42/88/502354288.db2.gz ORMOPSYLGWPUBE-HXUWFJFHSA-N 2 0 360.546 3.008 20 0 FGADRP CC[NH+](CC)[C@H](C)CNC(=O)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000472446417 502354580 /nfs/dbraw/zinc/35/45/80/502354580.db2.gz JAAJGFHVNLAGAA-GOSISDBHSA-N 2 0 352.567 3.014 20 0 FGADRP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1)C1(c2ccccc2)CCCC1 ZINC000476011714 502357717 /nfs/dbraw/zinc/35/77/17/502357717.db2.gz NWUJGZUZGWWNSU-RBUKOAKNSA-N 2 0 357.542 3.064 20 0 FGADRP CCC[N@@H+]1CC[C@H](CNC(=O)N2CC[C@@H](C)[NH+](Cc3ccccc3)CC2)C1 ZINC000465744690 502368037 /nfs/dbraw/zinc/36/80/37/502368037.db2.gz FFJHYJVOCXGBPC-TZIWHRDSSA-N 2 0 372.557 3.024 20 0 FGADRP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N[C@@H]2CC[NH+](CC3CCCC3)C2)C1 ZINC000465753534 502371348 /nfs/dbraw/zinc/37/13/48/502371348.db2.gz KFHBBOBQINFQKU-PKOBYXMFSA-N 2 0 364.578 3.061 20 0 FGADRP CC[NH+](CC)C[C@H](C)NC(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000465767553 502376928 /nfs/dbraw/zinc/37/69/28/502376928.db2.gz CAQCOZPQEZPJCQ-LZLYRXPVSA-N 2 0 366.575 3.161 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@H](c2cccc(F)c2)N(C)C)[C@H](C)C1 ZINC000479851624 502397289 /nfs/dbraw/zinc/39/72/89/502397289.db2.gz OOIVXOUJCIEFCJ-JRGCBEDISA-N 2 0 365.537 3.155 20 0 FGADRP C[C@H]1CCc2ccccc2[C@H]1NC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000476162674 502402663 /nfs/dbraw/zinc/40/26/63/502402663.db2.gz OIGOVWYNTOADMY-RXVVDRJESA-N 2 0 374.573 3.225 20 0 FGADRP C[C@H]1CCC[C@](CNC(=O)NCCCCC[NH+]2CCCCC2)([NH+](C)C)C1 ZINC000476206468 502413990 /nfs/dbraw/zinc/41/39/90/502413990.db2.gz RZXSVMLGCAVFFG-FPOVZHCZSA-N 2 0 366.594 3.452 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](C)C1CCCCC1 ZINC000466005176 502451595 /nfs/dbraw/zinc/45/15/95/502451595.db2.gz UILKRCCCKYBVAU-PKOBYXMFSA-N 2 0 352.567 3.013 20 0 FGADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)NCCCC[NH+]2CCC(C)CC2)C[C@@H]1C ZINC000483676107 502458584 /nfs/dbraw/zinc/45/85/84/502458584.db2.gz FFQIXFAWZZLQEK-RBUKOAKNSA-N 2 0 352.567 3.013 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@H]2CCC[NH+](Cc3ccccc3)C2)C[C@H]1C ZINC000483676222 502459716 /nfs/dbraw/zinc/45/97/16/502459716.db2.gz BNLVNUFJYKSDDG-GIVPXCGWSA-N 2 0 372.557 3.165 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N(C)[C@H]1CC[N@H+](CC)[C@@H](C)C1)CC(C)C ZINC000483716867 502474020 /nfs/dbraw/zinc/47/40/20/502474020.db2.gz UCMPHHIFPSKIIN-FHWLQOOXSA-N 2 0 354.583 3.257 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NCC[C@H](C)[NH+](C)Cc2ccccc2)C[C@H]1C ZINC000483786053 502492276 /nfs/dbraw/zinc/49/22/76/502492276.db2.gz SWXDJBCOYWKQES-ZVDOUQERSA-N 2 0 374.573 3.411 20 0 FGADRP C[C@H](CNC(=O)NCCC[N@@H+]1CCCC[C@@H]1C)[NH+](C)Cc1ccccc1 ZINC000476480493 502500876 /nfs/dbraw/zinc/50/08/76/502500876.db2.gz ADOMJBQVDRRUBQ-RBUKOAKNSA-N 2 0 360.546 3.071 20 0 FGADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)NCCCCC[NH+]2CCCCC2)C[C@H]1C ZINC000483822123 502501447 /nfs/dbraw/zinc/50/14/47/502501447.db2.gz RZFOFXYPPFMIPP-RTBURBONSA-N 2 0 352.567 3.157 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCc2ccc(-n3cccn3)cc2)[C@@H](C)C1 ZINC000480304889 502532196 /nfs/dbraw/zinc/53/21/96/502532196.db2.gz DTBGMHUSOJUVBT-UGKGYDQZSA-N 2 0 370.541 3.141 20 0 FGADRP OC1CC[NH+](Cc2ccccc2C[NH2+][C@@H]2CCC[C@H]([C@H]3CCOC3)C2)CC1 ZINC000466345192 502543520 /nfs/dbraw/zinc/54/35/20/502543520.db2.gz DRCJVDDEZCBWHV-YUXAGFNASA-N 2 0 372.553 3.328 20 0 FGADRP CCC[C@@H]([NH2+]C(C)C)C(=O)NC[C@@H](c1ccc(OC)cc1)[NH+]1CCCC1 ZINC000473296576 502561101 /nfs/dbraw/zinc/56/11/01/502561101.db2.gz ULEHDFMWAJDSSX-UXHICEINSA-N 2 0 361.530 3.115 20 0 FGADRP CC[NH+](CC)Cc1cccc(C[NH2+]Cc2cc(C(=O)OC)c(C)n2C)c1 ZINC000462776382 502566550 /nfs/dbraw/zinc/56/65/50/502566550.db2.gz JODGWBPVYSGBHN-UHFFFAOYSA-N 2 0 357.498 3.252 20 0 FGADRP COc1ccc(C[NH+]2CCC(OCCC[NH3+])CC2)cc1OCC(C)C ZINC000469865418 502575149 /nfs/dbraw/zinc/57/51/49/502575149.db2.gz YRLTUTYOHWFMSO-UHFFFAOYSA-N 2 0 350.503 3.060 20 0 FGADRP CCC[C@@H]1CCC[N@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000466466234 502578891 /nfs/dbraw/zinc/57/88/91/502578891.db2.gz OZXURJNOBGRDCY-HXUWFJFHSA-N 2 0 357.542 3.411 20 0 FGADRP CCNC(=O)[C@@H](C)[NH2+][C@@H](CCC[NH+]1CCC(C)CC1)c1ccc(F)cc1 ZINC000462808668 502582976 /nfs/dbraw/zinc/58/29/76/502582976.db2.gz DZNWJBWOXLTIRR-XLIONFOSSA-N 2 0 363.521 3.493 20 0 FGADRP CC1CC[NH+](CCC[C@@H]([NH2+]C[C@@H]2COCCO2)c2ccc(F)cc2)CC1 ZINC000462817004 502586111 /nfs/dbraw/zinc/58/61/11/502586111.db2.gz NDSKIKQSFDENIZ-NHCUHLMSSA-N 2 0 364.505 3.384 20 0 FGADRP C[C@@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1ccc(-c2ccncc2)cc1 ZINC000480548111 502599424 /nfs/dbraw/zinc/59/94/24/502599424.db2.gz CQSFNTUOBGQNGC-GOSISDBHSA-N 2 0 352.526 3.425 20 0 FGADRP C[C@@H](NC(=O)NCCC[NH+]1CCC(C)CC1)[C@@H](c1ccccc1)[NH+](C)C ZINC000476900161 502615599 /nfs/dbraw/zinc/61/55/99/502615599.db2.gz FRYNLBLVVWLQJK-QUCCMNQESA-N 2 0 360.546 3.099 20 0 FGADRP C[C@H]([NH2+]CCC[NH+]1CCC(C)CC1)[C@H](c1ccccc1)N1CCOCC1 ZINC000480606220 502618293 /nfs/dbraw/zinc/61/82/93/502618293.db2.gz CRYBZIBTDXFGTA-RBBKRZOGSA-N 2 0 359.558 3.160 20 0 FGADRP CC(C)c1cc(NCc2ccccc2C[NH+]2CCCC2)nc(N(C)C)[nH+]1 ZINC000462920348 502626502 /nfs/dbraw/zinc/62/65/02/502626502.db2.gz XXGYTULTUCQBSS-UHFFFAOYSA-N 2 0 353.514 3.296 20 0 FGADRP C[C@@H]1C[C@H](C[NH+]2CCC[C@H]([N@@H+](C)C[C@@H]3CCO[C@@H](C)C3)CC2)CCO1 ZINC000488098500 502627382 /nfs/dbraw/zinc/62/73/82/502627382.db2.gz BSVRCDTZUGYBCD-QSUVIHHLSA-N 2 0 352.563 3.403 20 0 FGADRP C[C@H]([NH2+]CCC[N@H+]1C[C@H](C)C[C@H](C)C1)[C@H](c1ccccc1)N1CCOCC1 ZINC000480677186 502639335 /nfs/dbraw/zinc/63/93/35/502639335.db2.gz PDAWTBPQJXECQY-OQLXKQOESA-N 2 0 373.585 3.406 20 0 FGADRP C[NH+](C)CCCC1CC[NH+](CCC(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000488157319 502642311 /nfs/dbraw/zinc/64/23/11/502642311.db2.gz CBHJGEOFWKIYAX-UHFFFAOYSA-N 2 0 360.498 3.084 20 0 FGADRP CCOc1cc2[nH+]ccc(N[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)c2cc1OCC ZINC000488173137 502646833 /nfs/dbraw/zinc/64/68/33/502646833.db2.gz BTNLNPRLRZNCLH-HZPDHXFCSA-N 2 0 355.482 3.493 20 0 FGADRP C[C@H](CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)[NH+]1CCc2ccccc2C1 ZINC000480716643 502652091 /nfs/dbraw/zinc/65/20/91/502652091.db2.gz YODRUCXMSFORDZ-NQIIRXRSSA-N 2 0 369.553 3.204 20 0 FGADRP CC[C@H](C(=O)Nc1ccc(OCC[N@@H+]2CC[C@H](C)C2)cc1)[NH+](CC)CC ZINC000470083510 502653785 /nfs/dbraw/zinc/65/37/85/502653785.db2.gz VYEPUWBBOWIIBD-FXAWDEMLSA-N 2 0 361.530 3.466 20 0 FGADRP CC(C)[NH+]1CCC(N2CCN(Cc3cc4ccc(F)cc4[nH]3)CC2)CC1 ZINC000488296322 502679861 /nfs/dbraw/zinc/67/98/61/502679861.db2.gz MVJALKZKQJXAAO-UHFFFAOYSA-N 2 0 358.505 3.297 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@H](c2ccc(F)cc2)N(C)C)[C@H](C)C1 ZINC000480896504 502699780 /nfs/dbraw/zinc/69/97/80/502699780.db2.gz CYUJDSSJLIZFJJ-JRGCBEDISA-N 2 0 365.537 3.155 20 0 FGADRP CC[NH+](CC)[C@H](C(=O)N1CC[C@@H]([C@H](C)[NH3+])C1)c1cccc(C(F)(F)F)c1 ZINC000484688985 502708333 /nfs/dbraw/zinc/70/83/33/502708333.db2.gz KWQMQOUGTDADPT-LXZKKBNFSA-N 2 0 371.447 3.284 20 0 FGADRP C[NH+]1CCC(C[NH2+][C@H]2CS[C@H](C(C)(C)C)C2)(N2CCCCC2)CC1 ZINC000488418695 502709855 /nfs/dbraw/zinc/70/98/55/502709855.db2.gz FVMZDDZFEZYXMT-MSOLQXFVSA-N 2 0 353.620 3.447 20 0 FGADRP Cc1ccccc1[C@H]([C@@H](C)NC(=O)NC[C@@H](C)C[NH+]1CCCC1)[NH+](C)C ZINC000481030383 502734559 /nfs/dbraw/zinc/73/45/59/502734559.db2.gz FNLVGOPKCPZYPB-POAQFYNOSA-N 2 0 360.546 3.017 20 0 FGADRP C[C@H]1C[C@@H](CCNC(=O)c2ccc3c(c2)C[NH2+]C3)C[N@@H+]1Cc1ccccc1 ZINC000470361888 502749500 /nfs/dbraw/zinc/74/95/00/502749500.db2.gz LZRBGXVCMDITIA-PKOBYXMFSA-N 2 0 363.505 3.320 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)c1ccc2c(c1)C[NH2+]C2)c1cccc(OC)c1 ZINC000470366511 502751595 /nfs/dbraw/zinc/75/15/95/502751595.db2.gz XVNCRWPPJTXDAJ-NRFANRHFSA-N 2 0 367.493 3.111 20 0 FGADRP Cc1cc(NC(=O)c2ccc3c(c2)C[NH2+]C3)ccc1OCC[NH+]1CCCC1 ZINC000470374268 502754323 /nfs/dbraw/zinc/75/43/23/502754323.db2.gz KUZVILNERKSJIQ-UHFFFAOYSA-N 2 0 365.477 3.325 20 0 FGADRP CC1CC[NH+]([C@@H](CNC(=O)c2ccc3c(c2)C[NH2+]C3)c2ccccc2)CC1 ZINC000470376602 502755411 /nfs/dbraw/zinc/75/54/11/502755411.db2.gz SIPMJQKFYREYBD-QFIPXVFZSA-N 2 0 363.505 3.493 20 0 FGADRP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)NCc1ccc(CC[NH+](C)C)cc1 ZINC000467009227 502756562 /nfs/dbraw/zinc/75/65/62/502756562.db2.gz LUSAEOVCIQXCOT-NRFANRHFSA-N 2 0 374.573 3.245 20 0 FGADRP Cc1cc([C@@H]2CCC[NH+]2CCOCC[N@H+]2CCC[C@H]2c2cc(C)no2)on1 ZINC000488587858 502759600 /nfs/dbraw/zinc/75/96/00/502759600.db2.gz RAQSZSXQISAQML-ROUUACIJSA-N 2 0 374.485 3.270 20 0 FGADRP C[C@H](C(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000463331666 502760599 /nfs/dbraw/zinc/76/05/99/502760599.db2.gz ZUILGXTZBQIZER-QLFBSQMISA-N 2 0 367.921 3.480 20 0 FGADRP C[NH+]1CCC(C[NH2+][C@@H]2CCCC[C@@H]2[C@H]2CCOC2)(N2CCCCC2)CC1 ZINC000474049756 502789858 /nfs/dbraw/zinc/78/98/58/502789858.db2.gz CAPNSXHJTGOWMK-PWRODBHTSA-N 2 0 363.590 3.122 20 0 FGADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)NCCC[NH+](C)Cc1ccccc1 ZINC000500869281 502882117 /nfs/dbraw/zinc/88/21/17/502882117.db2.gz QRPXWOOZIKOOPB-FQEVSTJZSA-N 2 0 360.546 3.072 20 0 FGADRP CC[C@@H](CC(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@@H+]1CC)c1ccccc1 ZINC000505343928 502891047 /nfs/dbraw/zinc/89/10/47/502891047.db2.gz NBXXNHRFWOFVPF-FPOVZHCZSA-N 2 0 359.558 3.445 20 0 FGADRP Cc1cc(NCCCC[NH+]2C[C@H](C)C[C@@H](C)C2)nc(-c2ccncc2)n1 ZINC000489203533 502900259 /nfs/dbraw/zinc/90/02/59/502900259.db2.gz GGJGFAYCADZSOG-IAGOWNOFSA-N 2 0 353.514 3.439 20 0 FGADRP CN(CC1CCCCC1)C(=O)C[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501040131 502919683 /nfs/dbraw/zinc/91/96/83/502919683.db2.gz OZYMTTXHWHJKOQ-UHFFFAOYSA-N 2 0 372.557 3.269 20 0 FGADRP CCCN(CCC[NH+](C)C)C(=O)[C@@H]1C[N@@H+](C(C)(C)C)C[C@H]1C(F)(F)F ZINC000505534400 502929298 /nfs/dbraw/zinc/92/92/98/502929298.db2.gz WNPIVZPOPQAKSN-HUUCEWRRSA-N 2 0 365.484 3.086 20 0 FGADRP CC(C)[C@@H](CNC(=O)N1CC[NH+](C2CCCC2)CC1)[NH+]1CCC(C)CC1 ZINC000501151561 502949144 /nfs/dbraw/zinc/94/91/44/502949144.db2.gz UHEHVRZRLDSRQS-HXUWFJFHSA-N 2 0 364.578 3.013 20 0 FGADRP CCCc1nc2ccccc2n1CCC(=O)N1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000505658594 502961915 /nfs/dbraw/zinc/96/19/15/502961915.db2.gz ORYFBFWYABJJDB-JOCHJYFZSA-N 2 0 368.525 3.323 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cc2ccccc2s1 ZINC000505736595 502975665 /nfs/dbraw/zinc/97/56/65/502975665.db2.gz AAFAHQBPRJPQPC-KRWDZBQOSA-N 2 0 359.539 3.389 20 0 FGADRP CCc1sc(C(=O)N(CC[NH+](C)C)C[C@@H]2CCC[N@H+]2CC)cc1C ZINC000505824849 502993581 /nfs/dbraw/zinc/99/35/81/502993581.db2.gz NBFYNEKMWRBJSW-INIZCTEOSA-N 2 0 351.560 3.107 20 0 FGADRP C[C@H]1C[C@@H](NC(=O)N2C[C@@H](C)[N@H+](Cc3ccccc3)C[C@H]2C)c2nccn21 ZINC000582649143 506345968 /nfs/dbraw/zinc/34/59/68/506345968.db2.gz LZSJRSWUICRABX-DODZYUBVSA-N 2 0 367.497 3.193 20 0 FGADRP CCO[C@H](CC[NH+](C)C)C[NH2+]Cc1c(F)ccc(Br)c1F ZINC000501474881 503015851 /nfs/dbraw/zinc/01/58/51/503015851.db2.gz IRVCMESOUZXHAI-LLVKDONJSA-N 2 0 365.262 3.174 20 0 FGADRP C[C@H](CNC(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1)[NH+]1CCCC[C@H]1C ZINC000501490165 503019027 /nfs/dbraw/zinc/01/90/27/503019027.db2.gz IVLHAYVXFAMXNE-SBHAEUEKSA-N 2 0 372.557 3.213 20 0 FGADRP CC1CC[NH+](CCCCNC(=O)NC[C@@H](c2ccsc2)[NH+](C)C)CC1 ZINC000501499245 503021498 /nfs/dbraw/zinc/02/14/98/503021498.db2.gz FDMCUWGQNWFONL-SFHVURJKSA-N 2 0 366.575 3.162 20 0 FGADRP Cn1nccc1-c1ccccc1C[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000509980640 503022351 /nfs/dbraw/zinc/02/23/51/503022351.db2.gz CXKWKFWGJIETFX-UHFFFAOYSA-N 2 0 364.493 3.317 20 0 FGADRP C[C@@H](CNC(=O)Nc1cccc(OCC[NH+](C)C)c1)[N@@H+]1CCCC[C@@H]1C ZINC000501525094 503029181 /nfs/dbraw/zinc/02/91/81/503029181.db2.gz ZIQWEZPMWGYLGU-IRXDYDNUSA-N 2 0 362.518 3.011 20 0 FGADRP Fc1ccc2nc(C[NH+]3CCC(CCC[NH+]4CCOCC4)CC3)oc2c1 ZINC000506041328 503034849 /nfs/dbraw/zinc/03/48/49/503034849.db2.gz IXOMNIVQANFJAU-UHFFFAOYSA-N 2 0 361.461 3.291 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)NCCC[NH+]1CCCC[C@H]1C ZINC000506056153 503037660 /nfs/dbraw/zinc/03/76/60/503037660.db2.gz RQAKALDVHWYPSE-SFHLNBCPSA-N 2 0 357.542 3.135 20 0 FGADRP Cc1ccc(NC(=O)Cc2nc(CN3CCCC[C@@H]3CC[NH3+])cs2)cc1 ZINC000489904581 503061069 /nfs/dbraw/zinc/06/10/69/503061069.db2.gz FJGRDHOYWIGTFP-GOSISDBHSA-N 2 0 372.538 3.336 20 0 FGADRP CCC1(CNC(=O)NCC[N@H+](C)C2CC2)CC[NH+](Cc2ccccc2)CC1 ZINC000514021625 503070567 /nfs/dbraw/zinc/07/05/67/503070567.db2.gz BRRYAKTVLSRGIV-UHFFFAOYSA-N 2 0 372.557 3.072 20 0 FGADRP C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)NCc2cccc(C[NH+](C)C)c2)C1 ZINC000514055847 503076536 /nfs/dbraw/zinc/07/65/36/503076536.db2.gz RHNLZAHSSMQZPA-ROUUACIJSA-N 2 0 374.573 3.304 20 0 FGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC[C@@H]1C[C@@H](C)[NH+](Cc2ccccc2)C1 ZINC000510260148 503080287 /nfs/dbraw/zinc/08/02/87/503080287.db2.gz RRMPVNCOSCPJDJ-HMXCVIKNSA-N 2 0 357.542 3.278 20 0 FGADRP C[N@@H+]1CCCC[C@H]1CCC(=O)NC[C@]1(C)CCC[NH+]1Cc1ccccc1 ZINC000506267037 503082020 /nfs/dbraw/zinc/08/20/20/503082020.db2.gz GPCUUEKVBVQQNS-UNMCSNQZSA-N 2 0 357.542 3.422 20 0 FGADRP O=C(N[C@@H](C[NH+]1CCCC1)c1ccccc1)N1CC[NH+](C2CCCC2)CC1 ZINC000501814030 503085871 /nfs/dbraw/zinc/08/58/71/503085871.db2.gz MOYRVVAKJFMOOS-NRFANRHFSA-N 2 0 370.541 3.093 20 0 FGADRP C[C@@H]1CCC[NH+](C(C)(C)CNC(=O)NCCCC[N@H+]2CCC[C@@H](C)C2)C1 ZINC000514122701 503093811 /nfs/dbraw/zinc/09/38/11/503093811.db2.gz NANVGXGAGAEWGS-RTBURBONSA-N 2 0 366.594 3.308 20 0 FGADRP CC(C)CCO[C@@H]1CCCC[C@H]1[NH2+]CCCN1CC[NH+](C(C)C)CC1 ZINC000501849197 503094327 /nfs/dbraw/zinc/09/43/27/503094327.db2.gz FROPIQMCYLLUOC-NHCUHLMSSA-N 2 0 353.595 3.366 20 0 FGADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)N2CCCC23CC[NH+](C)CC3)C1 ZINC000510344547 503096022 /nfs/dbraw/zinc/09/60/22/503096022.db2.gz COARARJJRFQMCC-AZUAARDMSA-N 2 0 370.541 3.092 20 0 FGADRP CC(C)Cn1ccnc1CNC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H]1C ZINC000498155390 503119581 /nfs/dbraw/zinc/11/95/81/503119581.db2.gz JHDYLEMHSPKNRW-HKUYNNGSSA-N 2 0 369.513 3.001 20 0 FGADRP C[C@@H](CNC(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1)[NH+]1CCCC[C@@H]1C ZINC000514244958 503124208 /nfs/dbraw/zinc/12/42/08/503124208.db2.gz PPMBDXQPGYZPEK-SQNIBIBYSA-N 2 0 352.567 3.059 20 0 FGADRP C[C@@H](CNC(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)[NH+]1CCCC[C@@H]1C ZINC000510510701 503129597 /nfs/dbraw/zinc/12/95/97/503129597.db2.gz IUIPOWAHUTVCMX-CADBVGFASA-N 2 0 364.578 3.202 20 0 FGADRP CCCC[NH+]1CCC(NC(=O)NC[C@H]([NH2+][C@H](C)CC)c2ccco2)CC1 ZINC000490216227 503132556 /nfs/dbraw/zinc/13/25/56/503132556.db2.gz KHJVJMFCQDZNTB-AEFFLSMTSA-N 2 0 364.534 3.273 20 0 FGADRP C[C@@H]1C[C@@H](CCNC(=O)[C@@H]([NH3+])c2ccccc2)C[N@@H+]1Cc1ccccc1 ZINC000498214141 503133025 /nfs/dbraw/zinc/13/30/25/503133025.db2.gz NVEUBMMRAFAONU-QFUCXCTJSA-N 2 0 351.494 3.103 20 0 FGADRP C[C@@H](NC(=O)NCC1([NH+]2CCCCC2)CCCCC1)C1=CC[N@H+](C)CC1 ZINC000510554390 503143667 /nfs/dbraw/zinc/14/36/67/503143667.db2.gz SPXNKACAEOHAMG-GOSISDBHSA-N 2 0 362.562 3.125 20 0 FGADRP C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)NCC2(C)CC[NH2+]CC2)c1 ZINC000514667756 503162357 /nfs/dbraw/zinc/16/23/57/503162357.db2.gz IENNSSIDFPWLTC-UHFFFAOYSA-N 2 0 365.521 3.438 20 0 FGADRP C[C@@H](C(=O)N(CC[NH+](C)C)Cc1ccc(F)c(F)c1)[NH+]1CCCCCC1 ZINC000510690443 503173671 /nfs/dbraw/zinc/17/36/71/503173671.db2.gz INTVBSOQSGNZAU-INIZCTEOSA-N 2 0 367.484 3.120 20 0 FGADRP CC[NH+]1CCN(c2ccccc2CN2CCC[C@H]2C[NH+]2CCCCC2)CC1 ZINC000510694084 503174434 /nfs/dbraw/zinc/17/44/34/503174434.db2.gz VWRARQUOWZYDCR-QFIPXVFZSA-N 2 0 370.585 3.279 20 0 FGADRP CCCC[N@H+](C)CCNC(=O)N1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000506812339 503177072 /nfs/dbraw/zinc/17/70/72/503177072.db2.gz CIAXKBRZQFXYSV-RBUKOAKNSA-N 2 0 352.567 3.014 20 0 FGADRP Cc1cc(OCCC[C@@H](C)[NH2+]CC2CC[NH+](CCO)CC2)ccc1Cl ZINC000510721700 503178602 /nfs/dbraw/zinc/17/86/02/503178602.db2.gz ZKXFQUPJDHDSKI-QGZVFWFLSA-N 2 0 368.949 3.490 20 0 FGADRP C[C@@H](C(=O)NCC(C)(C)[N@@H+]1CCc2ccccc2C1)[NH+]1[C@H](C)CC[C@H]1C ZINC000510778978 503191231 /nfs/dbraw/zinc/19/12/31/503191231.db2.gz BOTQZJJZZVZWFW-KURKYZTESA-N 2 0 357.542 3.201 20 0 FGADRP CC(C)[NH+](CCNC(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1)C(C)C ZINC000506905186 503192165 /nfs/dbraw/zinc/19/21/65/503192165.db2.gz ZEGCPMBEAPWEQL-PMACEKPBSA-N 2 0 366.594 3.401 20 0 FGADRP Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)[C@@H]1[NH2+]CCCC1(C)C ZINC000514793149 503194413 /nfs/dbraw/zinc/19/44/13/503194413.db2.gz TXOTYVHJPIXQSF-SFHVURJKSA-N 2 0 361.555 3.261 20 0 FGADRP CCCC[N@H+](C)CCNC(=O)NCc1ccccc1C[NH+]1CCC[C@@H](C)C1 ZINC000490828290 503233381 /nfs/dbraw/zinc/23/33/81/503233381.db2.gz PZDWTLHASOBIMB-LJQANCHMSA-N 2 0 374.573 3.450 20 0 FGADRP C[N@H+](Cc1ccco1)Cc1ccccc1C[NH2+]C[C@H](O)CC(F)(F)F ZINC000515054241 503260987 /nfs/dbraw/zinc/26/09/87/503260987.db2.gz CZIJHNSUZHWYSI-MRXNPFEDSA-N 2 0 356.388 3.315 20 0 FGADRP C[NH+](C)CCOc1cnccc1C[NH2+][C@@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000515088914 503269275 /nfs/dbraw/zinc/26/92/75/503269275.db2.gz CSWYZCGASXOITN-NHCUHLMSSA-N 2 0 369.509 3.358 20 0 FGADRP CC1CC[NH+](CCCCNC(=O)NC[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000502784886 503271199 /nfs/dbraw/zinc/27/11/99/503271199.db2.gz PUKKVGDJSUMDNW-HXUWFJFHSA-N 2 0 360.546 3.101 20 0 FGADRP COc1cccc(CC[NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)n1 ZINC000507456837 503301915 /nfs/dbraw/zinc/30/19/15/503301915.db2.gz ACZNDDMXBRJIBH-HLAWJBBLSA-N 2 0 351.494 3.133 20 0 FGADRP CC1CC[NH+](Cc2ccc(CNC(=O)N3CC[N@H+](C)CC[C@H]3C)cc2)CC1 ZINC000502914006 503306520 /nfs/dbraw/zinc/30/65/20/503306520.db2.gz YIBAWRZTAZMLHQ-LJQANCHMSA-N 2 0 372.557 3.154 20 0 FGADRP OC[C@H](N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12)c1ccc(F)cc1 ZINC000507488878 503307505 /nfs/dbraw/zinc/30/75/05/503307505.db2.gz VUAUJSGNJPVMKS-NMIHRBCNSA-N 2 0 354.469 3.359 20 0 FGADRP CCc1cccnc1[C@@H](C)[NH2+]Cc1ccc(N2CC[NH+](CC)CC2)nc1 ZINC000507505297 503310927 /nfs/dbraw/zinc/31/09/27/503310927.db2.gz DBGYPVYYGGPTDS-QGZVFWFLSA-N 2 0 353.514 3.032 20 0 FGADRP CC[N@@H+]1C[C@H](C)N(C(=O)NC2CCC([NH+]3CCC(C)CC3)CC2)C[C@@H]1C ZINC000499028501 503317347 /nfs/dbraw/zinc/31/73/47/503317347.db2.gz OBLDBZCUKBYLAN-VCAKUFKGSA-N 2 0 364.578 3.154 20 0 FGADRP C[C@H](c1nc(-c2ccccc2)no1)[NH+]1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000515342888 503319026 /nfs/dbraw/zinc/31/90/26/503319026.db2.gz KLRKLCCCYXBSSS-FHLIZLRMSA-N 2 0 356.470 3.016 20 0 FGADRP C[C@@H]1C[C@H](NC(=O)N[C@@H]2CC[NH+](Cc3ccccc3)CC2(C)C)CC[N@@H+]1C ZINC000511502779 503333527 /nfs/dbraw/zinc/33/35/27/503333527.db2.gz FOURYZXGBMBPCY-MISYRCLQSA-N 2 0 372.557 3.069 20 0 FGADRP COc1cccc([C@H](CNC(=O)[C@H](C)[NH+]2[C@H](C)CC[C@H]2C)[NH+]2CCCC2)c1 ZINC000511530211 503338217 /nfs/dbraw/zinc/33/82/17/503338217.db2.gz GIOJHXCIYZXAGM-WIRSXHRWSA-N 2 0 373.541 3.210 20 0 FGADRP CN1CCO[C@H]([C@@H]([NH2+]C2CCC([NH+](C)C)CC2)c2ccc(Cl)cc2)C1 ZINC000515443454 503338900 /nfs/dbraw/zinc/33/89/00/503338900.db2.gz SWRPCLAVDDVSIM-GUMHCPJTSA-N 2 0 365.949 3.174 20 0 FGADRP C[C@H]1C[C@H]([NH2+]Cc2ccc(C(=O)NCC[NH+](C)C)cc2)c2ccccc21 ZINC000582688936 506366469 /nfs/dbraw/zinc/36/64/69/506366469.db2.gz VKWCYGFEDPWCBT-KKSFZXQISA-N 2 0 351.494 3.316 20 0 FGADRP O=C(NC[C@H](c1ccco1)N1CCCC1)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000511651710 503362850 /nfs/dbraw/zinc/36/28/50/503362850.db2.gz ZQNWPXAOGTWWTP-VQTJNVASSA-N 2 0 367.493 3.197 20 0 FGADRP CC[C@@H]1C[C@H](C[NH+]2CCC(CC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)CCO1 ZINC000507800228 503368603 /nfs/dbraw/zinc/36/86/03/503368603.db2.gz ZCACLNWRZLCOFZ-VURPSTOHSA-N 2 0 352.563 3.403 20 0 FGADRP CC[C@H](C)[NH2+][C@@H](CNC(=O)NC[C@H]1[N@H+](C)CCCC1(C)C)c1ccco1 ZINC000503390459 503399340 /nfs/dbraw/zinc/39/93/40/503399340.db2.gz LTOJHBJAWWLAGC-XYJFISCASA-N 2 0 364.534 3.128 20 0 FGADRP CCC[N@@H+]1CCC[C@H]1CNC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000511903449 503411523 /nfs/dbraw/zinc/41/15/23/503411523.db2.gz AVAVAAOYCYRLMT-UXHICEINSA-N 2 0 364.578 3.158 20 0 FGADRP CC[C@@H](C(=O)N1CCC[NH+](CC2CCC2)CC1)[N@H+](C)Cc1ccccc1 ZINC000508037767 503417348 /nfs/dbraw/zinc/41/73/48/503417348.db2.gz KVLSWSNMBPHTQN-NRFANRHFSA-N 2 0 357.542 3.231 20 0 FGADRP CCc1ccc(CCC(=O)N(CC[NH+](C)C)C[C@@H]2CCC[N@H+]2CC)cc1 ZINC000499508009 503421300 /nfs/dbraw/zinc/42/13/00/503421300.db2.gz LOMVCPHXVHBZPM-NRFANRHFSA-N 2 0 359.558 3.056 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc(Cl)ccc1Cl ZINC000499510506 503421837 /nfs/dbraw/zinc/42/18/37/503421837.db2.gz WDROPARWMIUWCD-OAHLLOKOSA-N 2 0 372.340 3.482 20 0 FGADRP CO[C@@H](c1ccccc1)[C@H](C)[NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000493883382 503452350 /nfs/dbraw/zinc/45/23/50/503452350.db2.gz OINILWMQNCDHSH-PZJWPPBQSA-N 2 0 359.558 3.303 20 0 FGADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)NCCC[NH2+]C2CCCCC2)C1 ZINC000516165051 503459650 /nfs/dbraw/zinc/45/96/50/503459650.db2.gz SZFWDQPLZDDHOY-GHTZIAJQSA-N 2 0 372.557 3.434 20 0 FGADRP CC(C)CN(CC[NH+](C)C)C(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000503691075 503460159 /nfs/dbraw/zinc/46/01/59/503460159.db2.gz VATPLTZJENYRIS-SFHVURJKSA-N 2 0 362.562 3.345 20 0 FGADRP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N[C@@H](C)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000493940653 503462109 /nfs/dbraw/zinc/46/21/09/503462109.db2.gz JOWNEJGUQMQDTD-CMKODMSKSA-N 2 0 360.546 3.097 20 0 FGADRP Fc1ccc(/C=C\C[NH2+]CCCN2CCN(c3cc[nH+]cc3)CC2)cc1F ZINC000512138129 503467058 /nfs/dbraw/zinc/46/70/58/503467058.db2.gz XMNYBAQLUCMEOF-IWQZZHSRSA-N 2 0 372.463 3.175 20 0 FGADRP C[C@@H]1[C@@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000494079377 503483796 /nfs/dbraw/zinc/48/37/96/503483796.db2.gz NPBPQKZLJZVOMN-CBQOVEMMSA-N 2 0 369.553 3.420 20 0 FGADRP C[C@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)NCCC1CC[NH+](C)CC1 ZINC000499797366 503484960 /nfs/dbraw/zinc/48/49/60/503484960.db2.gz OEBPTBHJGXHKHK-OALUTQOASA-N 2 0 372.557 3.023 20 0 FGADRP C[C@@H]1CCC[C@](CNC(=O)NCCC[N@@H+]2CCCC[C@H]2C)([NH+](C)C)C1 ZINC000516560945 503536999 /nfs/dbraw/zinc/53/69/99/503536999.db2.gz XDAAPYOWTUDXJM-GGPKGHCWSA-N 2 0 352.567 3.061 20 0 FGADRP CC[NH+](CC)Cc1cccc(CNC(=O)NC[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000500134112 503561937 /nfs/dbraw/zinc/56/19/37/503561937.db2.gz RECUHPKXAOAEPT-RTBURBONSA-N 2 0 374.573 3.448 20 0 FGADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N[C@H](C)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000500182979 503573394 /nfs/dbraw/zinc/57/33/94/503573394.db2.gz MIIOKXNGMYIKIJ-SBHAEUEKSA-N 2 0 374.573 3.345 20 0 FGADRP CC(C)[NH+](CCN(C)C(=O)N[C@H](C)C[N@H+](C)Cc1ccccc1)C(C)C ZINC000504434303 503574388 /nfs/dbraw/zinc/57/43/88/503574388.db2.gz MRSUFSBLEHNLBO-LJQANCHMSA-N 2 0 362.562 3.267 20 0 FGADRP Cc1ccccc1[C@@H]([C@@H](C)NC(=O)N1CCC[N@@H+](C(C)C)CC1)[NH+](C)C ZINC000508854048 503577863 /nfs/dbraw/zinc/57/78/63/503577863.db2.gz SCDYSAPDKYMMSG-UYAOXDASSA-N 2 0 360.546 3.112 20 0 FGADRP C[C@H](NC(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1)[C@H](c1ccccc1)[NH+](C)C ZINC000508852706 503578461 /nfs/dbraw/zinc/57/84/61/503578461.db2.gz NDJWLKYKWXFTFO-FBBABVLZSA-N 2 0 372.557 3.051 20 0 FGADRP O[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]C2CC(OCc3ccccc3)C2)CC1 ZINC000494644644 503581787 /nfs/dbraw/zinc/58/17/87/503581787.db2.gz DBOJAQGPZBBZGC-XABBQPORSA-N 2 0 358.526 3.092 20 0 FGADRP C(=C\C[N@H+]1CCC[C@H](OCC2CC2)C1)\C[NH+]1CCC[C@@H](OCC2CC2)C1 ZINC000494657467 503585876 /nfs/dbraw/zinc/58/58/76/503585876.db2.gz UATGBYLCOYIEOS-LJLUTMTPSA-N 2 0 362.558 3.325 20 0 FGADRP Cc1ccccc1[C@@H]([C@H](C)NC(=O)N(C)CCC[NH+]1CCCC1)[NH+](C)C ZINC000508893996 503592435 /nfs/dbraw/zinc/59/24/35/503592435.db2.gz JWKSCJPYMGOZEB-AZUAARDMSA-N 2 0 360.546 3.114 20 0 FGADRP CC(C)(C)NC(=O)CC[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000512610834 503594277 /nfs/dbraw/zinc/59/42/77/503594277.db2.gz FJIKJRSQZXWOTG-SLFFLAALSA-N 2 0 357.542 3.182 20 0 FGADRP CC[NH+](CC)CC1CCN(C(=O)N[C@H](C)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000508902046 503595226 /nfs/dbraw/zinc/59/52/26/503595226.db2.gz VVDPNLOJESPJFO-NQIIRXRSSA-N 2 0 374.573 3.441 20 0 FGADRP CC[NH+](CC)CC1CCN(C(=O)N[C@H](C)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000508902050 503595277 /nfs/dbraw/zinc/59/52/77/503595277.db2.gz VVDPNLOJESPJFO-WIYYLYMNSA-N 2 0 374.573 3.441 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@H](C)[C@H](c2ccccc2C)[NH+](C)C)[C@H](C)C1 ZINC000508917605 503599748 /nfs/dbraw/zinc/59/97/48/503599748.db2.gz IBRNPKMCUWFOED-RMVXJAJNSA-N 2 0 374.573 3.358 20 0 FGADRP Cc1ccccc1[C@H]([C@H](C)NC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1)[NH+](C)C ZINC000508923801 503601184 /nfs/dbraw/zinc/60/11/84/503601184.db2.gz OLEOIPZWUMHFKC-MMKMLUHNSA-N 2 0 372.557 3.112 20 0 FGADRP OC[C@@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+][C@H]1CCc2ccccc2OC1 ZINC000494745248 503603373 /nfs/dbraw/zinc/60/33/73/503603373.db2.gz KQLGBZXHYUURLB-VXKWHMMOSA-N 2 0 366.505 3.127 20 0 FGADRP CCc1ccc([C@@H](CNC(=O)N2CCC[C@@H](C[NH3+])C2)[NH+](CC)CC)cc1 ZINC000516916964 503617640 /nfs/dbraw/zinc/61/76/40/503617640.db2.gz PZWOLSGUJJFMEL-AZUAARDMSA-N 2 0 360.546 3.012 20 0 FGADRP Fc1cc(C[NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)ccc1Oc1cccnc1 ZINC000516921234 503619400 /nfs/dbraw/zinc/61/94/00/503619400.db2.gz ULUBKSPNHOIVNI-YSIASYRMSA-N 2 0 371.456 3.260 20 0 FGADRP C[C@H](NC(=O)C[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)c1ccc2c(c1)CCCC2 ZINC000516927835 503621832 /nfs/dbraw/zinc/62/18/32/503621832.db2.gz HSNJMWSQDPSYMJ-MTNREXPMSA-N 2 0 369.553 3.064 20 0 FGADRP CCOC1CC(C[NH2+][C@@H](C)c2cc(F)ccc2N2CC[NH+](CC)CC2)C1 ZINC000509031461 503625299 /nfs/dbraw/zinc/62/52/99/503625299.db2.gz KXZVHBJLSZQQQB-MUYFXNHWSA-N 2 0 363.521 3.433 20 0 FGADRP C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000494894634 503632435 /nfs/dbraw/zinc/63/24/35/503632435.db2.gz BENRNTWGPTYSAQ-FGZHOGPDSA-N 2 0 363.505 3.143 20 0 FGADRP Cc1c([C@@H](C)[NH2+][C@@H](CN2CCN(C)CC2)c2ccccc2)cnn1C(C)C ZINC000527041800 503654581 /nfs/dbraw/zinc/65/45/81/503654581.db2.gz TUVSJSHYXUCMRD-GCJKJVERSA-N 2 0 369.557 3.412 20 0 FGADRP COCCC[NH+]1CCC([NH2+][C@@H](C[C@@H]2CCOC2)c2ccc(F)cc2)CC1 ZINC000495056429 503654834 /nfs/dbraw/zinc/65/48/34/503654834.db2.gz CTROWQGOTXODQY-UWJYYQICSA-N 2 0 364.505 3.384 20 0 FGADRP CC1CC[NH+](C2CCC([NH2+]C3CCN(c4cnccn4)CC3)CC2)CC1 ZINC000540138397 503685496 /nfs/dbraw/zinc/68/54/96/503685496.db2.gz ACRZFLBUBKACOF-UHFFFAOYSA-N 2 0 357.546 3.078 20 0 FGADRP CC[NH+](CC)CCOC1CC[NH+](Cc2cnn(-c3ccc(F)cc3)c2)CC1 ZINC000536709303 503691516 /nfs/dbraw/zinc/69/15/16/503691516.db2.gz ALBFVVBJQDWQKZ-UHFFFAOYSA-N 2 0 374.504 3.334 20 0 FGADRP C[C@@H]1C[N@@H+](CCC2CC[NH+](Cc3ccc4[nH]cnc4c3)CC2)C[C@H](C)O1 ZINC000536710321 503691951 /nfs/dbraw/zinc/69/19/51/503691951.db2.gz QOWBLMZKAAUMTL-CALCHBBNSA-N 2 0 356.514 3.274 20 0 FGADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H](CO)Cc2ccccc2C(F)(F)F)[C@@H](C)C1 ZINC000540158774 503692980 /nfs/dbraw/zinc/69/29/80/503692980.db2.gz YESUSBVIYBIQKW-MPGHIAIKSA-N 2 0 358.448 3.176 20 0 FGADRP COCc1cccc(OCC2(C[N@@H+]3CC[C@H]4[C@H](CCC[NH+]4C)C3)CC2)c1 ZINC000536731993 503701454 /nfs/dbraw/zinc/70/14/54/503701454.db2.gz WDTWFTBPGNNCNY-CTNGQTDRSA-N 2 0 358.526 3.408 20 0 FGADRP CC[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000536742782 503707656 /nfs/dbraw/zinc/70/76/56/503707656.db2.gz ZOBNGNJRFSSLLX-QFBILLFUSA-N 2 0 361.555 3.437 20 0 FGADRP CC(C)[N@@H+]1CC[C@H](CNC(=O)[C@@]23CCC[C@@H]2C[NH+](Cc2ccccc2)C3)C1 ZINC000527199056 503715772 /nfs/dbraw/zinc/71/57/72/503715772.db2.gz PAYDYOKMJLKPCN-MQSCRBSSSA-N 2 0 369.553 3.135 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCN(C(C)=O)c3ccccc32)[C@@H](C)C1 ZINC000536842793 503737899 /nfs/dbraw/zinc/73/78/99/503737899.db2.gz BEUSPFCMPGYHGK-DZFGPLHGSA-N 2 0 373.541 3.211 20 0 FGADRP C[C@H]1C[C@H](NC(=O)Nc2ccc(OCC[NH+]3CCCCC3)cc2)CC[N@@H+]1C ZINC000533181663 503753313 /nfs/dbraw/zinc/75/33/13/503753313.db2.gz NYCTUJOCKVUJCC-PKOBYXMFSA-N 2 0 374.529 3.156 20 0 FGADRP CC[NH+](CC)CC1CCN(C(=O)NC[C@]2([NH+](C)C)CCC[C@H](C)C2)CC1 ZINC000517510776 503760530 /nfs/dbraw/zinc/76/05/30/503760530.db2.gz FOOMNOHAESQBGJ-RXVVDRJESA-N 2 0 366.594 3.260 20 0 FGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]CCc2c(C)noc2C)CC1 ZINC000540407084 503761826 /nfs/dbraw/zinc/76/18/26/503761826.db2.gz HXCGRZMUKQIJRN-OAHLLOKOSA-N 2 0 374.504 3.466 20 0 FGADRP C[NH+](C)CC(C)(C)CNC(=O)C1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000536987496 503772814 /nfs/dbraw/zinc/77/28/14/503772814.db2.gz ROFCOYOCGGLRKZ-UHFFFAOYSA-N 2 0 368.525 3.155 20 0 FGADRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC[C@H](c2ccsc2)[NH+](C)C)C1 ZINC000517589954 503780139 /nfs/dbraw/zinc/78/01/39/503780139.db2.gz XESIMMARDGEAOW-NVXWUHKLSA-N 2 0 366.575 3.161 20 0 FGADRP CC1CCN(CC[NH2+][C@H]2CC3(CC[NH+](C)CC3)Oc3ccccc32)CC1 ZINC000540474982 503782418 /nfs/dbraw/zinc/78/24/18/503782418.db2.gz IWLSJTYZGGLLEQ-FQEVSTJZSA-N 2 0 357.542 3.296 20 0 FGADRP CN1CC[NH+](CC2(C)CC[NH+](C[C@H]3CCc4ccccc4C3)CC2)CC1 ZINC000543524180 503802180 /nfs/dbraw/zinc/80/21/80/503802180.db2.gz KFLHNUDTFGXVDJ-FQEVSTJZSA-N 2 0 355.570 3.141 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1CCN[C@@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21 ZINC000537173999 503827257 /nfs/dbraw/zinc/82/72/57/503827257.db2.gz SGRTZWWXKDMPRG-UYAOXDASSA-N 2 0 357.542 3.439 20 0 FGADRP CC[NH+](CC)CCOCC[NH2+][C@@H](C)c1nc2ccc(Cl)cc2n1C ZINC000543636953 503836987 /nfs/dbraw/zinc/83/69/87/503836987.db2.gz MGBKKNGIDLACIP-AWEZNQCLSA-N 2 0 352.910 3.236 20 0 FGADRP C[C@H]([NH3+])c1ccc(-c2ccc([C@H](C)[NH+]3CCN(CCO)CC3)cc2)cc1F ZINC000527589522 503844526 /nfs/dbraw/zinc/84/45/26/503844526.db2.gz SVZRBZJERVQJRR-IRXDYDNUSA-N 2 0 371.500 3.183 20 0 FGADRP CN1CCC[C@@H]([NH2+]Cc2c[nH]nc2-c2ccc(Br)s2)C1 ZINC000527642098 503872019 /nfs/dbraw/zinc/87/20/19/503872019.db2.gz AYDODBMICIGRJG-LLVKDONJSA-N 2 0 355.305 3.085 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)c2c[nH+]ccc2N(C)C)cc1 ZINC000546788268 503878413 /nfs/dbraw/zinc/87/84/13/503878413.db2.gz HYALEIKCAGKJKT-QGZVFWFLSA-N 2 0 366.509 3.452 20 0 FGADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]CC/C=C\c1ccc(Br)cc1 ZINC000530214920 503880903 /nfs/dbraw/zinc/88/09/03/503880903.db2.gz YXRMJUGZQBOTTQ-SMYZVBPUSA-N 2 0 353.304 3.194 20 0 FGADRP C[C@H]1C[NH+](CCOc2ccc(CC[NH2+]Cc3ccccn3)cc2)C[C@@H]1C ZINC000537351172 503886792 /nfs/dbraw/zinc/88/67/92/503886792.db2.gz FFDBLZXAGSKDLT-OALUTQOASA-N 2 0 353.510 3.381 20 0 FGADRP C[C@@H]1C[NH+](CCOc2ccc(CC[NH2+]Cc3ccccn3)cc2)C[C@H]1C ZINC000537351174 503886850 /nfs/dbraw/zinc/88/68/50/503886850.db2.gz FFDBLZXAGSKDLT-RTBURBONSA-N 2 0 353.510 3.381 20 0 FGADRP FC(F)(F)COc1ccc(C[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000530243107 503891189 /nfs/dbraw/zinc/89/11/89/503891189.db2.gz WIRXSBVUQROOKW-GOSISDBHSA-N 2 0 372.431 3.218 20 0 FGADRP CC[C@@H]([NH2+][C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C)c1ccc(F)cc1 ZINC000540788196 503892621 /nfs/dbraw/zinc/89/26/21/503892621.db2.gz AORWZMIONAXEME-RTWAWAEBSA-N 2 0 371.500 3.156 20 0 FGADRP C[C@@H]1C[C@@H](CCNC(=O)c2c[nH+]ccc2N(C)C)C[N@@H+]1Cc1ccccc1 ZINC000546855938 503903342 /nfs/dbraw/zinc/90/33/42/503903342.db2.gz NIOCGAFGXSZTPK-IEBWSBKVSA-N 2 0 366.509 3.178 20 0 FGADRP C[N@H+]1CC=C(C[NH2+]Cc2cccc(Br)c2OC(F)F)CC1 ZINC000537414816 503908643 /nfs/dbraw/zinc/90/86/43/503908643.db2.gz USWAORJCLMXPHF-UHFFFAOYSA-N 2 0 361.230 3.402 20 0 FGADRP CC[NH+](CC)CCCC1CC[NH+](CC(=O)N2C[C@H](C)C[C@H](C)C2)CC1 ZINC000543872302 503923810 /nfs/dbraw/zinc/92/38/10/503923810.db2.gz QDQBPCWGXMQTGG-KDURUIRLSA-N 2 0 351.579 3.325 20 0 FGADRP C[C@@H]([NH2+][C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C)c1cccc(Cl)c1 ZINC000537487866 503931321 /nfs/dbraw/zinc/93/13/21/503931321.db2.gz UDBXAMJZSOMDBD-UZLBHIALSA-N 2 0 373.928 3.280 20 0 FGADRP C[C@@H]1CCC[C@@](CNC(=O)N2CCC([NH+]3CCCCC3)CC2)([NH+](C)C)C1 ZINC000518367681 503964533 /nfs/dbraw/zinc/96/45/33/503964533.db2.gz WYLDQQDLNUEVAJ-WIYYLYMNSA-N 2 0 364.578 3.157 20 0 FGADRP COc1cc(C)c(C[NH+]2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c(C)n1 ZINC000540999322 503970145 /nfs/dbraw/zinc/97/01/45/503970145.db2.gz KVIDBWGACZKLEH-CALCHBBNSA-N 2 0 361.530 3.028 20 0 FGADRP CC(C)[C@@H](C[NH2+][C@@H](C)c1cc(-c2ccccc2)n(C)n1)N1CC[NH+](C)CC1 ZINC000527854137 503973529 /nfs/dbraw/zinc/97/35/29/503973529.db2.gz WUPXWWIPMBVOAW-PGRDOPGGSA-N 2 0 369.557 3.010 20 0 FGADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)NCCC[NH+]2CCCC[C@H]2C)C1 ZINC000518402359 503974836 /nfs/dbraw/zinc/97/48/36/503974836.db2.gz XNEFNOJZCDVCGM-SFHLNBCPSA-N 2 0 372.557 3.386 20 0 FGADRP C[C@H](C(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000518457906 503991736 /nfs/dbraw/zinc/99/17/36/503991736.db2.gz WCNHAUQHGJYCSG-CEXWTWQISA-N 2 0 373.541 3.039 20 0 FGADRP C[NH+]1CCN(C[C@@H]([NH2+]CCSCc2ccccc2)c2ccccc2)CC1 ZINC000530516040 503993869 /nfs/dbraw/zinc/99/38/69/503993869.db2.gz BLHWFKSJVDRXCB-JOCHJYFZSA-N 2 0 369.578 3.498 20 0 FGADRP CC[NH+](CC)CCOC1CC[NH+](Cc2cc(OC)ccc2OC)CC1 ZINC000537660879 503996512 /nfs/dbraw/zinc/99/65/12/503996512.db2.gz IWQPONOXBPPMCZ-UHFFFAOYSA-N 2 0 350.503 3.027 20 0 FGADRP [NH3+]C[C@@H](NC(=O)NC1CC([NH+]2CCCCC2)C1)c1ccc2ccccc2c1 ZINC000518499017 504001698 /nfs/dbraw/zinc/00/16/98/504001698.db2.gz BBAXEQBKVLFENL-XVAXZDLZSA-N 2 0 366.509 3.156 20 0 FGADRP CC[NH+](CC)CCCC1CC[NH+]([C@H](C)C(=O)N2CCC(C)CC2)CC1 ZINC000541085758 504002208 /nfs/dbraw/zinc/00/22/08/504002208.db2.gz JPHTVXXTAHJAOF-LJQANCHMSA-N 2 0 351.579 3.467 20 0 FGADRP C[C@@H]([NH2+]C[C@@H]1CCN1C1CCCCC1)c1ccc(N2CCNC2=O)cc1 ZINC000527947202 504010137 /nfs/dbraw/zinc/01/01/37/504010137.db2.gz KDZFNZRKTTVKEH-UZLBHIALSA-N 2 0 356.514 3.274 20 0 FGADRP CC[N@H+](Cc1ccc(C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)cc1)C1CC1 ZINC000518618590 504028918 /nfs/dbraw/zinc/02/89/18/504028918.db2.gz VNQSFQHIMVTNFO-NRFANRHFSA-N 2 0 355.526 3.371 20 0 FGADRP CCCN(CC[NH+](CC)CC)C(=O)C1CCN(c2cc[nH+]cc2C)CC1 ZINC000547309403 504055033 /nfs/dbraw/zinc/05/50/33/504055033.db2.gz OZGUOOBLLZALKK-UHFFFAOYSA-N 2 0 360.546 3.187 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)NCC[C@@H](C)[NH+]1CCCCC1)c1ccco1 ZINC000544321494 504087175 /nfs/dbraw/zinc/08/71/75/504087175.db2.gz CVSROOINBPUTFP-MSOLQXFVSA-N 2 0 364.534 3.226 20 0 FGADRP CC[N@H+](Cc1cn(-c2cc[nH+]cc2)nc1C)Cc1ccc2c(c1)OCO2 ZINC000544347927 504097132 /nfs/dbraw/zinc/09/71/32/504097132.db2.gz BZYSRKFUMCPRJK-UHFFFAOYSA-N 2 0 350.422 3.327 20 0 FGADRP C[C@H]([NH2+]C1(CNC(=O)COC2CCC([NH3+])CC2)CCCC1)c1ccccc1 ZINC000518972038 504107495 /nfs/dbraw/zinc/10/74/95/504107495.db2.gz ILQZAJXMOYJLFD-KKXNLOMOSA-N 2 0 373.541 3.053 20 0 FGADRP CN(CCC[NH+]1CCCC1)C(=O)NC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000519035402 504124201 /nfs/dbraw/zinc/12/42/01/504124201.db2.gz UDYIVHYWWYOYMY-JOCHJYFZSA-N 2 0 372.557 3.168 20 0 FGADRP C[NH+]1CCC([C@H]2CCN(C(=O)[C@@H]3CCC[N@H+](Cc4ccccc4)C3)C2)CC1 ZINC000534411766 504134339 /nfs/dbraw/zinc/13/43/39/504134339.db2.gz QGGNJDPWYPODMW-FCHUYYIVSA-N 2 0 369.553 3.089 20 0 FGADRP Cc1ccc([C@@H](CNC(=O)NCC[C@@H](C)[NH+]2CCCCC2)[NH+](C)C)cc1 ZINC000541509909 504155997 /nfs/dbraw/zinc/15/59/97/504155997.db2.gz QLFUSQIZPZQTQD-UYAOXDASSA-N 2 0 360.546 3.161 20 0 FGADRP Cc1cnc([C@@H](C)[NH2+]CCOCC[NH2+][C@H](C)c2ncc(C)s2)s1 ZINC000544514595 504158957 /nfs/dbraw/zinc/15/89/57/504158957.db2.gz KTNKBUFCJSYGBA-ZIAGYGMSSA-N 2 0 354.545 3.234 20 0 FGADRP O[C@H](CCc1ccccc1)C[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000541535945 504167824 /nfs/dbraw/zinc/16/78/24/504167824.db2.gz YOGYWEQLKHGWHQ-OLKYXYMISA-N 2 0 364.533 3.480 20 0 FGADRP CO[C@H](C[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)c1ccc(F)cc1 ZINC000528368070 504189803 /nfs/dbraw/zinc/18/98/03/504189803.db2.gz KNPXYJUPYXFDKY-LLGFUMIMSA-N 2 0 364.505 3.334 20 0 FGADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(C[NH2+][C@H](Cc2ccccc2)C(N)=O)cc1 ZINC000544640878 504201750 /nfs/dbraw/zinc/20/17/50/504201750.db2.gz LYFSGLWLHRVOEW-PGRDOPGGSA-N 2 0 365.521 3.247 20 0 FGADRP CC(C)(C)[C@H]1CC[N@H+](CCCC[NH+]2CC[C@@H](C(C)(C)C)[C@@H](O)C2)C[C@@H]1O ZINC000541618161 504202322 /nfs/dbraw/zinc/20/23/22/504202322.db2.gz LBLAHZOBHIZDRE-YRPNKDGESA-N 2 0 368.606 3.224 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)CC[NH+](C)C1CCCCC1 ZINC000547737332 504205442 /nfs/dbraw/zinc/20/54/42/504205442.db2.gz KVWXMXHCQHWVRT-NQIIRXRSSA-N 2 0 357.542 3.278 20 0 FGADRP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@H+]3CC[C@@H](C(C)C)C3)CC2)cc1 ZINC000538353255 504217915 /nfs/dbraw/zinc/21/79/15/504217915.db2.gz GGJNEKJGNUQQEZ-OAQYLSRUSA-N 2 0 357.542 3.007 20 0 FGADRP CC[NH+](CC)CCCNC(=O)C1CC[NH+](Cc2ccc(Cl)s2)CC1 ZINC000547786025 504225457 /nfs/dbraw/zinc/22/54/57/504225457.db2.gz LRUUTIKPRYSSFR-UHFFFAOYSA-N 2 0 371.978 3.462 20 0 FGADRP Cc1c[nH+]ccc1N1CCC(C(=O)N2CCC([NH+]3CCCCC3)CC2)CC1 ZINC000531203765 504226504 /nfs/dbraw/zinc/22/65/04/504226504.db2.gz HMTIXAVEJDQIMH-UHFFFAOYSA-N 2 0 370.541 3.083 20 0 FGADRP C[C@H]([NH2+]C[C@@H](CO)Cc1ccccc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000547827807 504238910 /nfs/dbraw/zinc/23/89/10/504238910.db2.gz AQWDUFKQCMZLEG-VJBMBRPKSA-N 2 0 352.522 3.338 20 0 FGADRP C[C@@H](CCc1cccc(F)c1)[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000541762408 504246223 /nfs/dbraw/zinc/24/62/23/504246223.db2.gz OEUSGZCQGRIHRI-IBGZPJMESA-N 2 0 361.549 3.496 20 0 FGADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2ccccc2Br)C1 ZINC000531343419 504274248 /nfs/dbraw/zinc/27/42/48/504274248.db2.gz MTXQTORMFBQUMU-INIZCTEOSA-N 2 0 355.320 3.382 20 0 FGADRP Cc1c2ccccc2oc1[C@@H](C)[NH2+][C@@H](CC(C)C)C(=O)NCC[NH+](C)C ZINC000538545345 504279539 /nfs/dbraw/zinc/27/95/39/504279539.db2.gz YUGUAOJNXGWLJB-AEFFLSMTSA-N 2 0 359.514 3.484 20 0 FGADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H](O)COc2cccc(C(F)(F)F)c2)C[C@H]1C ZINC000531379066 504285795 /nfs/dbraw/zinc/28/57/95/504285795.db2.gz VFCYVKALKVGNOG-PVAVHDDUSA-N 2 0 374.447 3.250 20 0 FGADRP COCC[N@H+](C)CCCC1CC[NH+](Cc2c(C)cc(OC)nc2C)CC1 ZINC000541925849 504305111 /nfs/dbraw/zinc/30/51/11/504305111.db2.gz HMQAOWFNPOVBKS-UHFFFAOYSA-N 2 0 363.546 3.277 20 0 FGADRP C[C@@H]1C[C@@H](N(C)C(=O)[C@H]2CCCN2Cc2ccc(Cl)cc2)CC[N@@H+]1C ZINC000528650618 504314437 /nfs/dbraw/zinc/31/44/37/504314437.db2.gz PEUUPIWZFXDISN-AYOQOUSVSA-N 2 0 363.933 3.246 20 0 FGADRP CC(C)[C@H]1C[NH2+]CCN1C(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000528682970 504329682 /nfs/dbraw/zinc/32/96/82/504329682.db2.gz FUZQEBBNLWUZFN-HXUWFJFHSA-N 2 0 374.529 3.013 20 0 FGADRP CCC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2C ZINC000528715026 504345942 /nfs/dbraw/zinc/34/59/42/504345942.db2.gz LCWYXEDUQZWAFC-YUMYIRISSA-N 2 0 369.553 3.230 20 0 FGADRP CC1(N2CCOCC2)CC[NH+](Cc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000528730172 504352807 /nfs/dbraw/zinc/35/28/07/504352807.db2.gz RPMDYCFTMWDBSM-UHFFFAOYSA-N 2 0 371.569 3.359 20 0 FGADRP CC1(C)[C@H](c2ccc(F)cc2)CC[N@@H+]1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000528740618 504360016 /nfs/dbraw/zinc/36/00/16/504360016.db2.gz BYSQSCUTEOFSLW-FQEVSTJZSA-N 2 0 373.516 3.137 20 0 FGADRP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]C[C@@H]2Cc3ccccc3O2)CC1 ZINC000538849553 504391691 /nfs/dbraw/zinc/39/16/91/504391691.db2.gz ILBPRWAGZJDOPK-KRWDZBQOSA-N 2 0 371.912 3.185 20 0 FGADRP COc1cccc(CC[NH2+][C@@H]2CCN(Cc3ccccn3)C[C@@H]2C)c1OC ZINC000531700283 504396593 /nfs/dbraw/zinc/39/65/93/504396593.db2.gz FOKIYDJWFLDIOQ-FXAWDEMLSA-N 2 0 369.509 3.142 20 0 FGADRP C[C@@H](CCN1C(=O)c2ccccc2C1=O)[NH2+]CCCC[N@@H+]1CCCC[C@H]1C ZINC000545246264 504414099 /nfs/dbraw/zinc/41/40/99/504414099.db2.gz JCKUMTBZDRIYCI-ZWKOTPCHSA-N 2 0 371.525 3.305 20 0 FGADRP COc1ccc(-c2ccccc2)cc1C[NH2+]CCCC[NH+]1CCN(C)CC1 ZINC000531789682 504424075 /nfs/dbraw/zinc/42/40/75/504424075.db2.gz JBRXQCUOCYEJSJ-UHFFFAOYSA-N 2 0 367.537 3.479 20 0 FGADRP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000520185717 504430032 /nfs/dbraw/zinc/43/00/32/504430032.db2.gz WEASFEAPMBWHLV-SFHLNBCPSA-N 2 0 357.542 3.135 20 0 FGADRP C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000539073146 504464511 /nfs/dbraw/zinc/46/45/11/504464511.db2.gz IIPGERQFRDTLEU-WGMWDUQUSA-N 2 0 357.542 3.427 20 0 FGADRP COc1ccc2c(c1)[C@@H]([NH2+][C@@H](CN1CC[NH+](C)CC1)c1ccccc1)CC2 ZINC000531965835 504489243 /nfs/dbraw/zinc/48/92/43/504489243.db2.gz HOIQPEYBOVGOHG-GOTSBHOMSA-N 2 0 365.521 3.261 20 0 FGADRP CN(CC[N@H+](C)CCCOc1ccc(Cl)cc1)C1CC[NH+](C)CC1 ZINC000539236730 504507272 /nfs/dbraw/zinc/50/72/72/504507272.db2.gz SGEDMIYZVAWWFO-UHFFFAOYSA-N 2 0 353.938 3.067 20 0 FGADRP CC[C@H]([NH2+]CC[C@H]1CCC[N@@H+]1C)c1ccccc1OCC(=O)N1CCCC1 ZINC000539250612 504512311 /nfs/dbraw/zinc/51/23/11/504512311.db2.gz AMBOLZJQYOLYOX-QUCCMNQESA-N 2 0 373.541 3.213 20 0 FGADRP CC[NH+](CC)C[C@H](C)NC(=O)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000520544924 504524791 /nfs/dbraw/zinc/52/47/91/504524791.db2.gz BONPSOXWCVPTRW-SFHVURJKSA-N 2 0 352.567 3.014 20 0 FGADRP CCC[NH+]1CCN(c2ccccc2C[N@@H+]2CCOCC3(CCC3)C2)CC1 ZINC000545554614 504525269 /nfs/dbraw/zinc/52/52/69/504525269.db2.gz AMNCZKYLKOYTST-UHFFFAOYSA-N 2 0 357.542 3.221 20 0 FGADRP CC(C)[C@@H](C[NH2+][C@H]1CCCOc2cc(Cl)ccc21)N1CC[NH+](C)CC1 ZINC000539307881 504525259 /nfs/dbraw/zinc/52/52/59/504525259.db2.gz DIHJNNQTNBIANW-RBUKOAKNSA-N 2 0 365.949 3.415 20 0 FGADRP C[C@H]1C[C@H](NC(=O)CC[NH+](C)C2CCCCC2)C[N@@H+]1Cc1ccccc1 ZINC000548714975 504538455 /nfs/dbraw/zinc/53/84/55/504538455.db2.gz BLQVELDAMFFXQT-ICSRJNTNSA-N 2 0 357.542 3.420 20 0 FGADRP COc1ccccc1C[C@@H](C)[NH2+]C[C@H](c1cccs1)N1CCN(C)CC1 ZINC000532187394 504566197 /nfs/dbraw/zinc/56/61/97/504566197.db2.gz BUWCQAIJVUKIHI-IEBWSBKVSA-N 2 0 373.566 3.266 20 0 FGADRP NC(=O)[C@@H](Cc1ccccc1)[NH2+]Cc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000542729802 504590091 /nfs/dbraw/zinc/59/00/91/504590091.db2.gz SGMLAQQCRGVNKO-JOCHJYFZSA-N 2 0 365.521 3.249 20 0 FGADRP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)NCCCC[NH+]1CCC[C@H](C)C1 ZINC000520887483 504603925 /nfs/dbraw/zinc/60/39/25/504603925.db2.gz WPUQHAIPWSHRFO-PMACEKPBSA-N 2 0 366.594 3.452 20 0 FGADRP C[NH+]1CCC(O)(C[NH2+][C@@H]2CCC[C@H]2c2ccc(C(F)(F)F)cc2)CC1 ZINC000539609278 504624749 /nfs/dbraw/zinc/62/47/49/504624749.db2.gz QUAIMQDKMVYMNP-DLBZAZTESA-N 2 0 356.432 3.388 20 0 FGADRP C[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)C1 ZINC000542840346 504631432 /nfs/dbraw/zinc/63/14/32/504631432.db2.gz JLPKXOAOPSGBPC-OAHLLOKOSA-N 2 0 352.404 3.275 20 0 FGADRP CCN(CC)[C@H](C[NH2+][C@H](C)CC(=O)NC)c1ccc(C(F)(F)F)cc1 ZINC000532462984 504659808 /nfs/dbraw/zinc/65/98/08/504659808.db2.gz QZTWEUIPRXIHBH-CZUORRHYSA-N 2 0 359.436 3.203 20 0 FGADRP CCC[NH+]1CCC(NC(=O)NCC(C)(C)[N@@H+]2CCC[C@@H](CC)C2)CC1 ZINC000521163386 504666013 /nfs/dbraw/zinc/66/60/13/504666013.db2.gz NAMBMASRJMIMNG-QGZVFWFLSA-N 2 0 352.567 3.061 20 0 FGADRP CC(C)[N@H+](C)CC1CC[NH+](CC(=O)NCc2ccc(Cl)cc2)CC1 ZINC000532538381 504686651 /nfs/dbraw/zinc/68/66/51/504686651.db2.gz UDBABMGMSQIKQG-UHFFFAOYSA-N 2 0 351.922 3.008 20 0 FGADRP CC[N@@H+]1CC[C@@H](N(C)Cc2cnc3ccc(Br)cn23)C[C@@H]1C ZINC000539816979 504699276 /nfs/dbraw/zinc/69/92/76/504699276.db2.gz IBOQZNROIUMYQS-DZGCQCFKSA-N 2 0 365.319 3.401 20 0 FGADRP C[C@@H]1C[N@@H+](CCC2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)C[C@H](C)O1 ZINC000539861645 504721265 /nfs/dbraw/zinc/72/12/65/504721265.db2.gz XEBMDPINOVPBAZ-HDICACEKSA-N 2 0 358.526 3.333 20 0 FGADRP O=C(Nc1ccc(CC[NH+]2CCCCC2)cc1)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000521385049 504724358 /nfs/dbraw/zinc/72/43/58/504724358.db2.gz ABCUZSDPCPQOBT-RTWAWAEBSA-N 2 0 370.541 3.463 20 0 FGADRP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2Cc1cccc(-c2ccncc2)c1 ZINC000539895580 504732298 /nfs/dbraw/zinc/73/22/98/504732298.db2.gz FBWWEMAMNUSEFI-FSSWDIPSSA-N 2 0 351.494 3.432 20 0 FGADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2CC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000539894563 504733270 /nfs/dbraw/zinc/73/32/70/504733270.db2.gz AMZVEWGYCBOSAZ-YPAWHYETSA-N 2 0 373.585 3.328 20 0 FGADRP CCCC[N@H+](C)CC1CCN([C@H](C)c2nnnn2-c2ccccc2)CC1 ZINC000521428621 504734802 /nfs/dbraw/zinc/73/48/02/504734802.db2.gz KRXYWTWHJDWLIW-QGZVFWFLSA-N 2 0 356.518 3.167 20 0 FGADRP C[C@@H](CNC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1)[NH+]1CCC(C)CC1 ZINC000521486019 504746026 /nfs/dbraw/zinc/74/60/26/504746026.db2.gz HHJHZWGTKBFCRJ-FPOVZHCZSA-N 2 0 357.542 3.135 20 0 FGADRP COCCC1CC[NH+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)CC1 ZINC000529639127 504750402 /nfs/dbraw/zinc/75/04/02/504750402.db2.gz YFJIMBGXIWIZFZ-UHFFFAOYSA-N 2 0 359.558 3.466 20 0 FGADRP C[C@H]1C[N@H+](CCOc2ccc(CC[NH2+][C@@H]3CCOC3(C)C)cc2)C[C@H]1C ZINC000556117410 504799772 /nfs/dbraw/zinc/79/97/72/504799772.db2.gz BKRNXZQDKFJEHR-LVCYWYKZSA-N 2 0 360.542 3.353 20 0 FGADRP CC(C)Oc1ccc([C@@H](C)[NH2+][C@@H](C)CN2CC[NH+](C)CC2)cc1Cl ZINC000565121156 504800486 /nfs/dbraw/zinc/80/04/86/504800486.db2.gz RFZUNWQOHNYZLZ-JKSUJKDBSA-N 2 0 353.938 3.414 20 0 FGADRP COc1ccc(F)c(C[NH2+]CCCN2CC[N@H+](C)C[C@@H]2c2ccccc2)c1 ZINC000559245182 504806843 /nfs/dbraw/zinc/80/68/43/504806843.db2.gz UNMLQDYGBYNILI-JOCHJYFZSA-N 2 0 371.500 3.303 20 0 FGADRP CC1CC[NH+](CCc2cccc(NC(=O)N[C@@H]3CC[NH2+]C[C@@H]3C)c2)CC1 ZINC000565292028 504846041 /nfs/dbraw/zinc/84/60/41/504846041.db2.gz JLRRRZDITYOMLK-FXAWDEMLSA-N 2 0 358.530 3.081 20 0 FGADRP c1sc(-c2ccc3c(c2)OCO3)nc1C[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000565302956 504849069 /nfs/dbraw/zinc/84/90/69/504849069.db2.gz ICRPPJGHRZBFLN-HZPDHXFCSA-N 2 0 371.506 3.360 20 0 FGADRP C[C@H](C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2)[NH+]1CCC(CC[NH3+])CC1 ZINC000565428893 504885023 /nfs/dbraw/zinc/88/50/23/504885023.db2.gz XYCRUHLTFGBZBS-DLBZAZTESA-N 2 0 357.542 3.192 20 0 FGADRP C[C@H]1CCCC[N@@H+]1CCC(=O)N(CC[NH+](C)C)Cc1ccc(F)c(F)c1 ZINC000549755357 504888971 /nfs/dbraw/zinc/88/89/71/504888971.db2.gz VIGLPOIKOBZHEU-INIZCTEOSA-N 2 0 367.484 3.120 20 0 FGADRP C[NH+](C)[C@@H](CNC(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(F)cc1 ZINC000553351286 504891177 /nfs/dbraw/zinc/89/11/77/504891177.db2.gz HJXXDBHOESASQK-FPOVZHCZSA-N 2 0 369.484 3.067 20 0 FGADRP C[C@@H]1CC[C@H]([NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)[C@@H](n2cncn2)C1 ZINC000559732734 504918351 /nfs/dbraw/zinc/91/83/51/504918351.db2.gz PXLPJYCXLYEFJW-QMMLZNLJSA-N 2 0 353.514 3.393 20 0 FGADRP C[NH+](C)CCCCC(=O)NC[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000556663035 504932244 /nfs/dbraw/zinc/93/22/44/504932244.db2.gz ZUERJTSNMFHTPD-KXBFYZLASA-N 2 0 369.912 3.320 20 0 FGADRP Cc1nn(-c2ccccc2)c(C)c1C[NH+]1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000562751896 504933145 /nfs/dbraw/zinc/93/31/45/504933145.db2.gz UFUMNXHGWAFGGZ-DENIHFKCSA-N 2 0 368.525 3.207 20 0 FGADRP [NH3+][C@H]1CCO[C@H](C2CC[NH+](Cc3cccc(-c4ccccn4)c3)CC2)C1 ZINC000562751387 504933524 /nfs/dbraw/zinc/93/35/24/504933524.db2.gz OZCFXBWTHQUIMV-UNMCSNQZSA-N 2 0 351.494 3.467 20 0 FGADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]C[C@H](O)CO[C@@H]2CCCc3ccccc32)C1 ZINC000565654876 504950159 /nfs/dbraw/zinc/95/01/59/504950159.db2.gz NRAQBNHLTVMXGZ-UNWVZKJWSA-N 2 0 374.569 3.399 20 0 FGADRP c1ccc(C[NH+]2CC[C@@H]3C[N@@H+](CCCO[C@H]4CCCCO4)C[C@H]3C2)cc1 ZINC000565686134 504957941 /nfs/dbraw/zinc/95/79/41/504957941.db2.gz SLQMTUWQLFYXIH-FSSWDIPSSA-N 2 0 358.526 3.374 20 0 FGADRP COc1ccc([C@H](Cc2ccccc2)[NH2+]C[C@@H](C)N2CC[NH+](C)CC2)cc1 ZINC000565690180 504958759 /nfs/dbraw/zinc/95/87/59/504958759.db2.gz RGNUNHCTSOVMMF-XXBNENTESA-N 2 0 367.537 3.205 20 0 FGADRP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)N1CC[NH+]2CCC1CC2 ZINC000560094546 504990559 /nfs/dbraw/zinc/99/05/59/504990559.db2.gz QEHAIDHMZZKFLU-SFHVURJKSA-N 2 0 370.541 3.051 20 0 FGADRP CNC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000556884440 505005493 /nfs/dbraw/zinc/00/54/93/505005493.db2.gz KFYCWHBPVPDWLN-LXHROKJGSA-N 2 0 369.553 3.182 20 0 FGADRP C[N@@H+]1CC[C@H]([NH2+]CCc2nc(-c3cccc(Cl)c3)no2)[C@@H]2CCC[C@H]21 ZINC000556885984 505007102 /nfs/dbraw/zinc/00/71/02/505007102.db2.gz ROEHMXZOUOCSRN-YESZJQIVSA-N 2 0 360.889 3.395 20 0 FGADRP COc1ccc(C[NH+]2CCC(C[NH2+]C[C@@H](O)Cc3ccccc3)CC2)cc1 ZINC000562985441 505010675 /nfs/dbraw/zinc/01/06/75/505010675.db2.gz ILKZOQFCHGYHRD-QFIPXVFZSA-N 2 0 368.521 3.100 20 0 FGADRP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)C[C@@H](O)CC(F)(F)F)C2)s1 ZINC000565917907 505026344 /nfs/dbraw/zinc/02/63/44/505026344.db2.gz STNUCDRWWKZETB-KGLIPLIRSA-N 2 0 350.450 3.124 20 0 FGADRP CC[NH+]1CCC(CNC(=O)NCc2ccccc2C[NH+]2CCCCC2)CC1 ZINC000556952793 505028760 /nfs/dbraw/zinc/02/87/60/505028760.db2.gz ONELUKIDKVMFFE-UHFFFAOYSA-N 2 0 372.557 3.204 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)[C@H](C)[NH2+]C1CC1)c1ccc(C(F)(F)F)cc1 ZINC000563054945 505035094 /nfs/dbraw/zinc/03/50/94/505035094.db2.gz CMXBVCWNXPUMTF-SUMWQHHRSA-N 2 0 371.447 3.345 20 0 FGADRP COc1cc(C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)ccc1OCC(F)(F)F ZINC000563135150 505057532 /nfs/dbraw/zinc/05/75/32/505057532.db2.gz HTFGTUXNZVENKK-HOTGVXAUSA-N 2 0 372.431 3.458 20 0 FGADRP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)[C@H]([NH3+])c1ccccc1 ZINC000553976858 505058836 /nfs/dbraw/zinc/05/88/36/505058836.db2.gz GSYXDERYZLQDGF-LAUBAEHRSA-N 2 0 351.494 3.377 20 0 FGADRP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)C[C@@H](O)Cc3ccccc3)C2)s1 ZINC000566071282 505071971 /nfs/dbraw/zinc/07/19/71/505071971.db2.gz SUSSAJNYMPTVCQ-UXHICEINSA-N 2 0 358.551 3.414 20 0 FGADRP C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000557140716 505076297 /nfs/dbraw/zinc/07/62/97/505076297.db2.gz PPXBTQFGXMLNGS-NQIIRXRSSA-N 2 0 372.557 3.474 20 0 FGADRP COc1ccc(O[C@H](C)C[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000566089325 505076880 /nfs/dbraw/zinc/07/68/80/505076880.db2.gz YUWYCRGURONJLI-BSLALVQMSA-N 2 0 368.477 3.308 20 0 FGADRP [NH3+][C@H]1C[C@@H]([NH2+]C2CCN(C(=O)NC3CCCCC3)CC2)c2ccccc21 ZINC000566090750 505077598 /nfs/dbraw/zinc/07/75/98/505077598.db2.gz KNQJNNKNDUYFCJ-VQTJNVASSA-N 2 0 356.514 3.228 20 0 FGADRP Cc1c([C@H](C)[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)nnn1-c1ccc(Cl)cc1 ZINC000566092202 505077601 /nfs/dbraw/zinc/07/76/01/505077601.db2.gz OXQBEVDQIFMCPK-PWXKEOIMSA-N 2 0 359.905 3.268 20 0 FGADRP CC1CC[NH+](Cc2cccc(CNC(=O)C[C@@H]3CCCC[C@@H]3[NH3+])c2)CC1 ZINC000566157406 505100373 /nfs/dbraw/zinc/10/03/73/505100373.db2.gz FDEQREYRENDLNQ-SFTDATJTSA-N 2 0 357.542 3.442 20 0 FGADRP C[C@@H]1CC2(CN1C(=O)[C@H]1CCC[N@H+](Cc3cccc(F)c3)C1)CC[NH2+]CC2 ZINC000566209649 505112860 /nfs/dbraw/zinc/11/28/60/505112860.db2.gz UUBSEIWAEICJRN-MJGOQNOKSA-N 2 0 373.516 3.028 20 0 FGADRP COC1CCC([NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)CC1 ZINC000550882538 505119404 /nfs/dbraw/zinc/11/94/04/505119404.db2.gz NIRORGBZFYSEMM-HWELCPFYSA-N 2 0 372.553 3.462 20 0 FGADRP C[C@H]([NH2+]CCCCC[NH+]1CCCC1)[C@@H](c1ccccc1)N1CCOCC1 ZINC000550881996 505119815 /nfs/dbraw/zinc/11/98/15/505119815.db2.gz GZCZECISAYVBEN-UNMCSNQZSA-N 2 0 359.558 3.304 20 0 FGADRP C[C@H]([NH2+]C1(CNC(=O)c2conc2C(C)(C)[NH3+])CCCC1)c1ccccc1 ZINC000563413432 505136006 /nfs/dbraw/zinc/13/60/06/505136006.db2.gz ZMJGMCHCNJCTDT-HNNXBMFYSA-N 2 0 370.497 3.262 20 0 FGADRP C[NH2+][C@H](CC(C)(C)C)C(=O)NC1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC000566299187 505138275 /nfs/dbraw/zinc/13/82/75/505138275.db2.gz UHKBVUFLEAHURC-ZHALLVOQSA-N 2 0 359.558 3.283 20 0 FGADRP CC[NH+]1CCN(c2ccccc2NC(=O)NCC2([NH3+])CCCCCC2)CC1 ZINC000563439843 505141968 /nfs/dbraw/zinc/14/19/68/505141968.db2.gz IOKOGWPZHOHGSA-UHFFFAOYSA-N 2 0 373.545 3.002 20 0 FGADRP CC[NH+](CC)CCOc1ccc(C[NH2+][C@H]2CCOC2(C)C)cc1OC ZINC000551007815 505142478 /nfs/dbraw/zinc/14/24/78/505142478.db2.gz RHPYGNZWHOLMAL-IBGZPJMESA-N 2 0 350.503 3.073 20 0 FGADRP C[C@@H]1C[N@H+](Cc2cn(C3CCCC3)nc2-c2ccccn2)C[C@@]1(C)C[NH3+] ZINC000563446037 505143899 /nfs/dbraw/zinc/14/38/99/505143899.db2.gz FSXGYDRGLVDFNH-IIBYNOLFSA-N 2 0 353.514 3.477 20 0 FGADRP CCc1cccc(C[NH2+]Cc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)c1 ZINC000566337962 505146872 /nfs/dbraw/zinc/14/68/72/505146872.db2.gz KCIBNJGRVFEAID-UHFFFAOYSA-N 2 0 365.521 3.364 20 0 FGADRP CC(C)CC[NH+]1CCC(CNC(=O)Nc2cccc3c2CC[NH2+]C3)CC1 ZINC000563499237 505157315 /nfs/dbraw/zinc/15/73/15/505157315.db2.gz RSSSZEYLJVBEHP-UHFFFAOYSA-N 2 0 358.530 3.212 20 0 FGADRP CC(C)[N@@H+](C)C[C@H](C)NC(=O)NCc1ccccc1C[NH+]1CCC[C@H](C)C1 ZINC000557548676 505164215 /nfs/dbraw/zinc/16/42/15/505164215.db2.gz RFIYUJUZBVJXBR-OALUTQOASA-N 2 0 374.573 3.446 20 0 FGADRP C[NH+](C)C[C@H](NC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)c1ccc(F)cc1 ZINC000554449227 505176799 /nfs/dbraw/zinc/17/67/99/505176799.db2.gz FHVSBCBUGUPBNO-PMACEKPBSA-N 2 0 372.488 3.031 20 0 FGADRP CCc1ccc(C[N@@H+]2CCC[C@H](CN3CCCN(C(C)=O)CC3)C2)s1 ZINC000566543061 505200400 /nfs/dbraw/zinc/20/04/00/505200400.db2.gz PQGTWMNPJFFLOP-GOSISDBHSA-N 2 0 363.571 3.077 20 0 FGADRP COc1ccc2c(c1)CN(C[C@H]1C[N@H+](Cc3ccccc3)CCCO1)CC2 ZINC000551382239 505213678 /nfs/dbraw/zinc/21/36/78/505213678.db2.gz NAQBJOGBYJPAKY-HSZRJFAPSA-N 2 0 366.505 3.344 20 0 FGADRP C[C@@H]1C[C@H](C[N@@H+]2C[C@H]3CCC[C@@]3(c3nc(-c4ccccc4)no3)C2)CC[NH2+]1 ZINC000560965870 505217743 /nfs/dbraw/zinc/21/77/43/505217743.db2.gz DJGFNSOJMBADBP-VALFRTSSSA-N 2 0 366.509 3.478 20 0 FGADRP COc1ccc(C[NH+]2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)c(OC(F)F)c1 ZINC000560981419 505222355 /nfs/dbraw/zinc/22/23/55/505222355.db2.gz USMIWJKOIRVGCN-AEFFLSMTSA-N 2 0 370.440 3.015 20 0 FGADRP C[NH+]1CCC([C@@H]2CC[N@H+](Cc3cnn(Cc4ccc(F)cc4)c3)C2)CC1 ZINC000563751426 505228761 /nfs/dbraw/zinc/22/87/61/505228761.db2.gz AQZQKPDLDZXFCB-HXUWFJFHSA-N 2 0 356.489 3.234 20 0 FGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]Cc2cncc(OC)c2)CC1 ZINC000563767037 505232465 /nfs/dbraw/zinc/23/24/65/505232465.db2.gz ULPHZHKMZOZCEQ-INIZCTEOSA-N 2 0 372.488 3.222 20 0 FGADRP C[C@@H]1CN(C(=O)NCc2ccccc2C[N@H+](C)C2CCCCC2)CC[C@@H]1[NH3+] ZINC000561131312 505258588 /nfs/dbraw/zinc/25/85/88/505258588.db2.gz BEWQAFFYNHJNQO-UTKZUKDTSA-N 2 0 372.557 3.330 20 0 FGADRP C[C@H]([NH3+])C1CCN(C(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)CC1 ZINC000561151426 505264700 /nfs/dbraw/zinc/26/47/00/505264700.db2.gz NENZVWLWLOIZGE-SFHVURJKSA-N 2 0 372.557 3.331 20 0 FGADRP CC(C)c1ccc([C@@H]([NH3+])CNC(=O)N2CCC([C@@H]3[NH2+]CC3(C)C)CC2)cc1 ZINC000561211553 505282386 /nfs/dbraw/zinc/28/23/86/505282386.db2.gz GLSQOBDDSGNDSF-PMACEKPBSA-N 2 0 372.557 3.229 20 0 FGADRP Cc1ccc(C[C@H]2CCC[N@@H+](CC(=O)NC3CC[NH+](C(C)C)CC3)C2)cc1 ZINC000563943192 505283585 /nfs/dbraw/zinc/28/35/85/505283585.db2.gz ASPPGMLSTKOVSS-OAQYLSRUSA-N 2 0 371.569 3.239 20 0 FGADRP Cc1nn(-c2ccccn2)c(C)c1C[NH2+]CCCC[N@H+]1CCC[C@@H](C)C1 ZINC000554924699 505300953 /nfs/dbraw/zinc/30/09/53/505300953.db2.gz FGCAXXHYRAAHRR-QGZVFWFLSA-N 2 0 355.530 3.486 20 0 FGADRP Cc1cc(C)c(NC(=O)[C@H](C)[NH+]2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)c(C)c1 ZINC000561280515 505303042 /nfs/dbraw/zinc/30/30/42/505303042.db2.gz MAEWIBSZXBKWRR-HFSMHLIXSA-N 2 0 373.541 3.157 20 0 FGADRP CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)c1 ZINC000564029415 505305649 /nfs/dbraw/zinc/30/56/49/505305649.db2.gz MCCRDYLNIHVWFL-IBGZPJMESA-N 2 0 374.529 3.168 20 0 FGADRP COc1ccc([C@H](NCC2([NH3+])C3CC4CC(C3)CC2C4)[C@H]2CCC[NH2+]2)cc1 ZINC000566909087 505308582 /nfs/dbraw/zinc/30/85/82/505308582.db2.gz RCIXOVMOFVVYPX-GPJBJNHGSA-N 2 0 369.553 3.232 20 0 FGADRP COC(=O)c1cc(C[NH2+]C2[C@H](C)C[NH+](Cc3ccccc3)C[C@H]2C)cn1C ZINC000566941622 505317873 /nfs/dbraw/zinc/31/78/73/505317873.db2.gz NOAPDLXJXWLXOZ-IAGOWNOFSA-N 2 0 369.509 3.058 20 0 FGADRP C[NH+](C)CCc1ccc(C(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)cc1 ZINC000567058945 505351616 /nfs/dbraw/zinc/35/16/16/505351616.db2.gz JNNRMMUCIDMYKU-QFIPXVFZSA-N 2 0 365.521 3.358 20 0 FGADRP C[C@@H]([NH2+]CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)C1CCCCC1 ZINC000558393514 505375621 /nfs/dbraw/zinc/37/56/21/505375621.db2.gz PJIZTFVYHBSMPH-GOSISDBHSA-N 2 0 357.542 3.457 20 0 FGADRP C[C@H]1[C@@H](NC(=O)NCCC[NH2+]C2CCCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000561591152 505385178 /nfs/dbraw/zinc/38/51/78/505385178.db2.gz PWFDUTMMUKRAFM-RXVVDRJESA-N 2 0 372.557 3.261 20 0 FGADRP C[NH+]1CCC(Oc2ccc(C[NH2+][C@@H]3CC[N@H+](C)[C@@H]4CCC[C@@H]43)cc2)CC1 ZINC000552063801 505386810 /nfs/dbraw/zinc/38/68/10/505386810.db2.gz NLCBBKSWHOJVLC-YPAWHYETSA-N 3 0 357.542 3.122 20 0 FGADRP CO[C@]1(C[NH2+][C@@H]2CCCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CCOC1 ZINC000552065486 505387789 /nfs/dbraw/zinc/38/77/89/505387789.db2.gz BKUQJLUPQXRJPI-YSFYHYPLSA-N 2 0 358.526 3.072 20 0 FGADRP CC[NH+]1CCN(Cc2ccc(N[C@@H]3CC[N@H+](C)[C@H]4CCC[C@@H]43)cc2)CC1 ZINC000552064162 505387911 /nfs/dbraw/zinc/38/79/11/505387911.db2.gz ZNYVNORCVWLBLB-VSKRKVRLSA-N 2 0 356.558 3.109 20 0 FGADRP CCC[N@H+](CC)C[C@@H](C)NC(=O)N[C@H](C)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000567206539 505394235 /nfs/dbraw/zinc/39/42/35/505394235.db2.gz OHFQOXMKFDYCAN-SFHLNBCPSA-N 2 0 374.573 3.317 20 0 FGADRP CSc1ccc([C@H](CNC(=O)[C@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)[NH+](C)C)cc1 ZINC000561727355 505419797 /nfs/dbraw/zinc/41/97/97/505419797.db2.gz UAJZVTFPBIPKFU-RCJHGTSTSA-N 2 0 363.571 3.389 20 0 FGADRP CN(C[C@H](O)C[NH2+][C@@H]1CCCN(c2ccc(Cl)cc2Cl)C1)C1CC1 ZINC000564444855 505421814 /nfs/dbraw/zinc/42/18/14/505421814.db2.gz XIEVTTFRLJULEV-GDBMZVCRSA-N 2 0 372.340 3.007 20 0 FGADRP CCc1nc(C(C)C)ccc1CN1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000555417650 505427998 /nfs/dbraw/zinc/42/79/98/505427998.db2.gz FXEAPPGVDHCZOO-GCJKJVERSA-N 2 0 358.574 3.225 20 0 FGADRP CCC[NH+]1CCN(c2ccccc2CN2CC[C@H]([NH+]3CCCC3)[C@H]2C)CC1 ZINC000564497849 505434612 /nfs/dbraw/zinc/43/46/12/505434612.db2.gz MXCGINHGVIBXCY-IRLDBZIGSA-N 2 0 370.585 3.277 20 0 FGADRP CCCC[N@H+](C)C[C@@H](C)NC(=O)NC[C@H](c1ccc(C)o1)[NH+]1CCCC1 ZINC000558602711 505436166 /nfs/dbraw/zinc/43/61/66/505436166.db2.gz LRXYCNREEHCASG-SJLPKXTDSA-N 2 0 364.534 3.145 20 0 FGADRP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCN(Cc3c(F)cccc3F)C2)[C@@H]2CCC[C@@H]21 ZINC000552244946 505438748 /nfs/dbraw/zinc/43/87/48/505438748.db2.gz OCVLGVUCIWIDAZ-ALGWMNEGSA-N 2 0 363.496 3.392 20 0 FGADRP C[N@@H+]1CC[C@H]([NH2+]CC2CCN(C(=O)c3ccccc3)CC2)[C@@H]2CCC[C@H]21 ZINC000552246476 505439869 /nfs/dbraw/zinc/43/98/69/505439869.db2.gz VUYZBPFPAFUTOU-PCCBWWKXSA-N 2 0 355.526 3.001 20 0 FGADRP C[C@H](CCc1ccc(F)cc1F)[NH2+]C1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000552276674 505448266 /nfs/dbraw/zinc/44/82/66/505448266.db2.gz GWKMFYFVLMBZNF-UAOJZALGSA-N 2 0 352.469 3.253 20 0 FGADRP COc1ccccc1-c1ccc(CN(CC[NH+](C)C)CC[NH+](C)C)cc1 ZINC000561971294 505481373 /nfs/dbraw/zinc/48/13/73/505481373.db2.gz KXTVSIJAZFJRPG-UHFFFAOYSA-N 2 0 355.526 3.287 20 0 FGADRP CC[N@H+](CCNC(=O)NCc1ccccc1C[NH+]1CCC(C)CC1)C1CC1 ZINC000558787538 505492451 /nfs/dbraw/zinc/49/24/51/505492451.db2.gz PZKDPYFFSOBSQP-UHFFFAOYSA-N 2 0 372.557 3.202 20 0 FGADRP CC[NH+]1CCN(Cc2ccccc2C[NH2+][C@H](COC)c2ccccc2)CC1 ZINC000562019976 505493576 /nfs/dbraw/zinc/49/35/76/505493576.db2.gz RSVNSCOWPZYWTH-HSZRJFAPSA-N 2 0 367.537 3.301 20 0 FGADRP CC[NH+](CC)CC(=O)Nc1cccc(NC2CC[NH+](CC3CC3)CC2)c1 ZINC000562108159 505519558 /nfs/dbraw/zinc/51/95/58/505519558.db2.gz ULDYPXFMQSPCLK-UHFFFAOYSA-N 2 0 358.530 3.253 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)[C@H]2C[NH2+]Cc3ccccc32)CC1 ZINC000564802288 505524154 /nfs/dbraw/zinc/52/41/54/505524154.db2.gz ZJMVWSORWAMVKH-GCJKJVERSA-N 2 0 369.553 3.377 20 0 FGADRP C[C@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)c1sccc1Br ZINC000564828041 505531388 /nfs/dbraw/zinc/53/13/88/505531388.db2.gz PORDBHMAPXMAJI-HSBZDZAISA-N 2 0 372.376 3.378 20 0 FGADRP C[NH+]1CCC(CC[NH2+]CCC(=O)Nc2cccc(Br)c2)CC1 ZINC000567682630 505535318 /nfs/dbraw/zinc/53/53/18/505535318.db2.gz YGUNPBUORDARCZ-UHFFFAOYSA-N 2 0 368.319 3.099 20 0 FGADRP C[C@@H]([NH2+]CCC(=O)Nc1cccc(C(F)(F)F)c1)C1=CC[N@H+](C)CC1 ZINC000567709844 505545433 /nfs/dbraw/zinc/54/54/33/505545433.db2.gz ATGLGYFVBPPGIK-CYBMUJFWSA-N 2 0 355.404 3.274 20 0 FGADRP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H](c1c(F)cccc1Cl)N1CCCC1 ZINC000599394735 506439535 /nfs/dbraw/zinc/43/95/35/506439535.db2.gz JCJUXDVEIYYBJC-IAGOWNOFSA-N 2 0 367.896 3.217 20 0 FGADRP CC[C@@H](C)[N@H+](C)CCNC(=O)N1CCC[NH+](CC2CCCCC2)CC1 ZINC000589220843 506489757 /nfs/dbraw/zinc/48/97/57/506489757.db2.gz XXASLXMETAPFOX-GOSISDBHSA-N 2 0 352.567 3.014 20 0 FGADRP CC[C@H](C)[N@H+](C)CCNC(=O)N1CCC[NH+](CCCc2ccccc2)CC1 ZINC000589221064 506490083 /nfs/dbraw/zinc/49/00/83/506490083.db2.gz NRSSJUYULKBBPU-FQEVSTJZSA-N 2 0 374.573 3.067 20 0 FGADRP C[C@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000582965067 506513722 /nfs/dbraw/zinc/51/37/22/506513722.db2.gz ZEFLWJKETKDWMR-WWMYMODYSA-N 2 0 365.477 3.490 20 0 FGADRP CCC(CC)(CNC(=O)N[C@@H]1CCC[N@H+](C)C1)[NH2+][C@H](C)c1ccccc1 ZINC000603593416 506569076 /nfs/dbraw/zinc/56/90/76/506569076.db2.gz GYSMHZCPCJAWJU-IEBWSBKVSA-N 2 0 360.546 3.289 20 0 FGADRP CC(C)[NH2+][C@H]1CCCN(C(=O)NCC(C)(C)[NH2+][C@@H](C)c2ccccc2)C1 ZINC000603610636 506577307 /nfs/dbraw/zinc/57/73/07/506577307.db2.gz XINRGAGTPFCVAE-HKUYNNGSSA-N 2 0 360.546 3.288 20 0 FGADRP Cc1ncncc1[C@H](C)[NH2+]CCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000583332748 506721638 /nfs/dbraw/zinc/72/16/38/506721638.db2.gz SEHFPEFYCPLMAA-IBGZPJMESA-N 2 0 367.541 3.034 20 0 FGADRP O=C(N[C@H](C[NH+]1CCCCC1)c1ccccc1)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000604176083 506737787 /nfs/dbraw/zinc/73/77/87/506737787.db2.gz VMVXWQKIZSPRNN-NJDAHSKKSA-N 2 0 370.541 3.140 20 0 FGADRP Cc1cccc(CN(CC[NH+](C)C)C(=O)N[C@H](C)C[N@@H+]2CCC[C@H](C)C2)c1 ZINC000604179043 506739380 /nfs/dbraw/zinc/73/93/80/506739380.db2.gz ANHODMGKKUNDSL-VQTJNVASSA-N 2 0 374.573 3.189 20 0 FGADRP C[NH+](C)CC1CC[NH+](C[C@@H](O)COc2ccc(-c3ccccc3)cc2)CC1 ZINC000590125598 506743998 /nfs/dbraw/zinc/74/39/98/506743998.db2.gz BVMMOUXDHFESAH-JOCHJYFZSA-N 2 0 368.521 3.367 20 0 FGADRP C[NH+](C)CC1CC[NH+](C[C@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000590125927 506744270 /nfs/dbraw/zinc/74/42/70/506744270.db2.gz VQYPVHRPBBVAFL-HNNXBMFYSA-N 2 0 361.313 3.007 20 0 FGADRP CC(C)[N@@H+]1CCCN(C(=O)NCC2([NH+]3CCCCC3)CCCCC2)CC1 ZINC000590152255 506751867 /nfs/dbraw/zinc/75/18/67/506751867.db2.gz OLTISHBTFUYIRZ-UHFFFAOYSA-N 2 0 364.578 3.301 20 0 FGADRP CC(C)[NH2+]C1CCN(C(=O)N[C@H](C[NH+]2CCCCC2)c2ccccc2)CC1 ZINC000604206807 506752333 /nfs/dbraw/zinc/75/23/33/506752333.db2.gz VWDYSJKFKDSUJU-OAQYLSRUSA-N 2 0 372.557 3.386 20 0 FGADRP CC[NH+](CC)Cc1ccc(C(=O)NCc2ccc(F)c(C[NH+](C)C)c2)o1 ZINC000604342425 506795353 /nfs/dbraw/zinc/79/53/53/506795353.db2.gz OHURHNAQIPMYFX-UHFFFAOYSA-N 2 0 361.461 3.252 20 0 FGADRP O=C(Nc1cccc2c1CC[NH2+]C2)NC1CC[NH+](C2CCCCC2)CC1 ZINC000583487965 506807263 /nfs/dbraw/zinc/80/72/63/506807263.db2.gz AZENHYKDFWSAQU-UHFFFAOYSA-N 2 0 356.514 3.251 20 0 FGADRP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)N[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000604656141 506903397 /nfs/dbraw/zinc/90/33/97/506903397.db2.gz CYIFTPMVNDXWJB-TZIWHRDSSA-N 2 0 372.557 3.197 20 0 FGADRP C[NH+](C)CC[C@@H](NC(=O)NC[C@@H](c1ccsc1)[NH+](C)C)C(C)(C)C ZINC000604776306 506939310 /nfs/dbraw/zinc/93/93/10/506939310.db2.gz DAZBESNWFAYLOF-JKSUJKDBSA-N 2 0 354.564 3.016 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)NCC[NH+]2[C@@H](C)CCC[C@@H]2C)C1 ZINC000594103985 506941269 /nfs/dbraw/zinc/94/12/69/506941269.db2.gz QHEHDHLGNCTNHF-YRPNKDGESA-N 2 0 366.594 3.307 20 0 FGADRP CC(C)[N@H+](C)CC1CC[NH+](CC(=O)N2c3ccccc3CC[C@H]2C)CC1 ZINC000590787016 506956970 /nfs/dbraw/zinc/95/69/70/506956970.db2.gz QPGHUPIUHZBUAO-GOSISDBHSA-N 2 0 357.542 3.407 20 0 FGADRP CC(C)[N@H+](C)CC1CC[NH+](C[C@@H](O)CO[C@H]2CCCc3ccccc32)CC1 ZINC000590819044 506980267 /nfs/dbraw/zinc/98/02/67/506980267.db2.gz VCMSAYYREIKYGS-GGAORHGYSA-N 2 0 374.569 3.494 20 0 FGADRP C[NH+]1CCC(CCNC(=O)N2CCC(C[NH+]3CCCCCC3)CC2)CC1 ZINC000590874577 507012268 /nfs/dbraw/zinc/01/22/68/507012268.db2.gz AHJNPYFTTNIZIP-UHFFFAOYSA-N 2 0 364.578 3.016 20 0 FGADRP C[C@H](CCNC(=O)[C@H](C[NH+]1CCCC1)c1ccccc1)[NH+]1CCCCC1 ZINC000613466012 507104987 /nfs/dbraw/zinc/10/49/87/507104987.db2.gz UPKYIBZUDGHQJP-TZIWHRDSSA-N 2 0 357.542 3.247 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1CC)c1cccc(OC)c1 ZINC000591095395 507111549 /nfs/dbraw/zinc/11/15/49/507111549.db2.gz KCTYJTVZNQMCIY-PMACEKPBSA-N 2 0 361.530 3.069 20 0 FGADRP Cc1ccc2c(c1)sc(C(=O)N(CC[NH+](C)C)CC[NH+](C)C)c2Cl ZINC000591102006 507115723 /nfs/dbraw/zinc/11/57/23/507115723.db2.gz IQKUIAHLAKCBHE-UHFFFAOYSA-N 2 0 367.946 3.429 20 0 FGADRP CCCC[N@H+](C)CC1CC[NH+](CC(=O)N(C)C2CCC(C)CC2)CC1 ZINC000613492341 507117373 /nfs/dbraw/zinc/11/73/73/507117373.db2.gz IIZBQYZANFFJIV-UHFFFAOYSA-N 2 0 351.579 3.467 20 0 FGADRP C[C@@H]([NH2+][C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)c1ccc(F)c2ccccc21 ZINC000584047504 507120890 /nfs/dbraw/zinc/12/08/90/507120890.db2.gz JICWCKYKUGFCHV-ZFGLAFRWSA-N 2 0 369.484 3.276 20 0 FGADRP C[C@@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1ccccc1I ZINC000594509452 507160991 /nfs/dbraw/zinc/16/09/91/507160991.db2.gz INKBWZDGLNMQHE-UPJWGTAASA-N 2 0 358.267 3.282 20 0 FGADRP COc1ccc([C@@H](C)[C@@H](C)[NH2+]Cc2ccncc2OCC[NH+](C)C)cc1 ZINC000584136825 507171498 /nfs/dbraw/zinc/17/14/98/507171498.db2.gz RJTOIDNDKJOQJF-DLBZAZTESA-N 2 0 357.498 3.312 20 0 FGADRP C[NH2+]CCc1ccccc1C(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000584175355 507193931 /nfs/dbraw/zinc/19/39/31/507193931.db2.gz VDRZMONXJNHWLA-UHFFFAOYSA-N 2 0 365.521 3.151 20 0 FGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)Nc1ccc(OCC[NH+]2CCCC2)c(C)c1 ZINC000605560829 507242027 /nfs/dbraw/zinc/24/20/27/507242027.db2.gz XSGJCZBMCSQGJJ-LJQANCHMSA-N 2 0 359.514 3.283 20 0 FGADRP CC(C)[C@@H](CNC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)[NH+]1CCCC1 ZINC000591547318 507286029 /nfs/dbraw/zinc/28/60/29/507286029.db2.gz RVIQQGDZUROXJH-OAQYLSRUSA-N 2 0 372.557 3.202 20 0 FGADRP COC[C@@H](C)Oc1ccc(C[NH2+]CC2(SC)CC[NH+](C)CC2)cc1 ZINC000594944402 507324775 /nfs/dbraw/zinc/32/47/75/507324775.db2.gz PBWMPIXJVPRXAU-MRXNPFEDSA-N 2 0 352.544 3.017 20 0 FGADRP Cc1ccc([C@H](CNC(=O)N2CCC[C@@H]([NH2+]C(C)C)C2)[NH+]2CCCC2)cc1 ZINC000601290609 507324853 /nfs/dbraw/zinc/32/48/53/507324853.db2.gz UESRKGUQGQTJBV-RTWAWAEBSA-N 2 0 372.557 3.304 20 0 FGADRP C[C@@H]([NH2+]CC1CC[NH+](Cc2ccncc2)CC1)c1ccc([S@@](C)=O)cc1 ZINC000595067859 507375804 /nfs/dbraw/zinc/37/58/04/507375804.db2.gz QGIQUSSIMJWXNG-WGDIFIGCSA-N 2 0 371.550 3.382 20 0 FGADRP COC(=O)c1csc([C@H](C)[NH2+]CC2CC[NH+](Cc3ccncc3)CC2)c1 ZINC000595069972 507378611 /nfs/dbraw/zinc/37/86/11/507378611.db2.gz UGJVGTRWDNTUHH-HNNXBMFYSA-N 2 0 373.522 3.493 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2C[NH2+]C[C@H]2CNc3ccnn3C2)C1 ZINC000595139196 507406190 /nfs/dbraw/zinc/40/61/90/507406190.db2.gz GSZGPVXERSRNKA-OTWHNJEPSA-N 2 0 367.541 3.193 20 0 FGADRP C[NH+](C)[C@@H](CNC(=O)N1CCC[N@@H+](C2CCCC2)CC1)c1ccsc1 ZINC000606638453 507463212 /nfs/dbraw/zinc/46/32/12/507463212.db2.gz JVCQADVAPZCVLT-SFHVURJKSA-N 2 0 364.559 3.011 20 0 FGADRP C[C@@H](NC(=O)NC[C@@H]1CCC[N@@H+]1CC1CCCCC1)C1CC[NH+](C)CC1 ZINC000606684807 507479899 /nfs/dbraw/zinc/47/98/99/507479899.db2.gz OKFOFKLBMVPMGH-XLIONFOSSA-N 2 0 364.578 3.061 20 0 FGADRP C[C@H](NC(=O)N[C@H](C[NH+]1CCCCC1)c1ccccc1)C1CC[NH+](C)CC1 ZINC000606690749 507482780 /nfs/dbraw/zinc/48/27/80/507482780.db2.gz LMLQZOOZRKTTTM-GHTZIAJQSA-N 2 0 372.557 3.243 20 0 FGADRP C[C@H](NC(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1)C1CC[NH+](C)CC1 ZINC000606703614 507488608 /nfs/dbraw/zinc/48/86/08/507488608.db2.gz YBKAJQJVAHYSSQ-QYZOEREBSA-N 2 0 364.578 3.013 20 0 FGADRP Cc1nc(CC[NH2+][C@@H]2CC3(CC[NH+](C)CC3)Oc3ccccc32)c(C)o1 ZINC000584815619 507519108 /nfs/dbraw/zinc/51/91/08/507519108.db2.gz JKFBBEHPZQQPDY-LJQANCHMSA-N 2 0 355.482 3.412 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000669117732 568031993 /nfs/dbraw/zinc/03/19/93/568031993.db2.gz AQTWNPGQESJZNX-XLIONFOSSA-N 2 0 358.530 3.002 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)NC[C@@H]2CCCC[NH2+]2)cc1 ZINC000669117846 568042755 /nfs/dbraw/zinc/04/27/55/568042755.db2.gz ULORBMAMQCJHLM-XLIONFOSSA-N 2 0 358.530 3.002 20 0 FGADRP c1cc2c(cc1-c1nn[nH]n1)CCC[C@@H]2[NH2+]CCCCC[NH+]1CCCCC1 ZINC000826518085 608511603 /nfs/dbraw/zinc/51/16/03/608511603.db2.gz BGVICHARBJZEKT-FQEVSTJZSA-N 2 0 368.529 3.490 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2ccc(-c3nn[nH]n3)s2)CC1 ZINC000824936544 608743362 /nfs/dbraw/zinc/74/33/62/608743362.db2.gz IYGKGWFZUFGNSR-OAHLLOKOSA-N 2 0 374.558 3.405 20 0 FGADRP C[C@H]([NH2+]CCCC[N@@H+]1CCCC[C@@H]1C)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824585489 609133157 /nfs/dbraw/zinc/13/31/57/609133157.db2.gz RIIUIGFJUBIGKQ-GJZGRUSLSA-N 2 0 360.481 3.311 20 0 FGADRP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@H](C)C1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824948691 609133294 /nfs/dbraw/zinc/13/32/94/609133294.db2.gz UYJGLIFVQCKIIZ-GJZGRUSLSA-N 2 0 360.481 3.169 20 0 FGADRP C[C@H]([NH2+]C1CCC([NH+]2CCCCC2)CC1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824539626 609147047 /nfs/dbraw/zinc/14/70/47/609147047.db2.gz OUPZBKVIMGEULX-OOHWJJMZSA-N 2 0 372.492 3.454 20 0 FGADRP C[C@@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)c1sccc1Br ZINC000037240478 695754755 /nfs/dbraw/zinc/75/47/55/695754755.db2.gz BGRMDALDSJBEGC-GFCCVEGCSA-N 2 0 360.365 3.187 20 0 FGADRP C[NH+](C)C1(CNC(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)CCCC1 ZINC000078500574 700280616 /nfs/dbraw/zinc/28/06/16/700280616.db2.gz DPBIYLLUXJUUAX-INIZCTEOSA-N 2 0 364.559 3.059 20 0 FGADRP C[C@H]([NH2+]CCOc1ncc(C(F)(F)F)cc1Cl)C1CC[NH+](C)CC1 ZINC000090082477 700400214 /nfs/dbraw/zinc/40/02/14/700400214.db2.gz ZCLQGGQKCQKZDK-NSHDSACASA-N 2 0 365.827 3.453 20 0 FGADRP CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000163882182 705321725 /nfs/dbraw/zinc/32/17/25/705321725.db2.gz GQCXELQZNUEQJL-QZTJIDSGSA-N 2 0 351.535 3.286 20 0 FGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@@H]2CCSc3c(F)cccc32)CC1 ZINC000178693877 705672705 /nfs/dbraw/zinc/67/27/05/705672705.db2.gz RZJFKSJCRJHIHQ-MAUKXSAKSA-N 2 0 351.535 3.226 20 0 FGADRP CCC[NH+]1CCC([N@H+](C)C[C@@]2(C)CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000195163714 713547652 /nfs/dbraw/zinc/54/76/52/713547652.db2.gz PYFBDZOZBZPMDK-HXUWFJFHSA-N 2 0 353.551 3.440 20 0 FGADRP C[C@H]([NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248436316 713650093 /nfs/dbraw/zinc/65/00/93/713650093.db2.gz GEHJFWCBNPPORL-BBWFWOEESA-N 2 0 351.535 3.238 20 0 FGADRP Ic1ccccc1[C@@H]1CCC[N@@H+]1CC1CC[NH2+]CC1 ZINC000261849063 713715196 /nfs/dbraw/zinc/71/51/96/713715196.db2.gz VFXRMATVYXLUAE-INIZCTEOSA-N 2 0 370.278 3.428 20 0 FGADRP C[C@@H]1CSC[C@H]1[NH2+]Cc1cccc(OCC[N@H+](C)C2CCOCC2)c1 ZINC000294719227 713775407 /nfs/dbraw/zinc/77/54/07/713775407.db2.gz BRNPTRCDXHOOSF-OXQOHEQNSA-N 2 0 364.555 3.017 20 0 FGADRP C[C@H]([NH2+][C@@H](C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1)C1CC[NH+](C)CC1 ZINC000301644448 713782139 /nfs/dbraw/zinc/78/21/39/713782139.db2.gz USNJAIDCQWOXAX-BQFCYCMXSA-N 2 0 353.551 3.342 20 0 FGADRP CC(C)C[NH+]1CCC([NH2+][C@@H]2CCCN(C(=O)OC(C)(C)C)[C@H]2C)CC1 ZINC000310599805 713799749 /nfs/dbraw/zinc/79/97/49/713799749.db2.gz HXEXCUBFLOAASR-FUHWJXTLSA-N 2 0 353.551 3.484 20 0 FGADRP CC(C)(C)OC(=O)Nc1ncc(CN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)s1 ZINC000374328282 713914005 /nfs/dbraw/zinc/91/40/05/713914005.db2.gz IAGUFTVSLBISKV-OLZOCXBDSA-N 2 0 352.504 3.207 20 0 FGADRP CC(C)N1CCc2nc(C[NH2+][C@](C)(CO)C3CCCCC3)sc2C1 ZINC000374612883 713934534 /nfs/dbraw/zinc/93/45/34/713934534.db2.gz NMLGADDSSCRTAY-LJQANCHMSA-N 2 0 351.560 3.331 20 0 FGADRP CC(C)(C)OC(=O)N1CCC[C@](C)(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000385979338 713984105 /nfs/dbraw/zinc/98/41/05/713984105.db2.gz NWBRRJIRQYMPMU-FUHIMQAGSA-N 2 0 351.535 3.240 20 0 FGADRP C[N@H+](Cc1nc(-c2cccc(Br)c2)no1)C1CCC([NH3+])CC1 ZINC000387488286 713986362 /nfs/dbraw/zinc/98/63/62/713986362.db2.gz JFCWGLDAUNIHLK-UHFFFAOYSA-N 2 0 365.275 3.201 20 0 FGADRP C[C@@H]([NH2+]C[C@@H](O)COc1ccc(Cl)c(Cl)c1)C1CC[NH+](C)CC1 ZINC000396472727 713991778 /nfs/dbraw/zinc/99/17/78/713991778.db2.gz YSFHARUMYMVKQS-TZMCWYRMSA-N 2 0 361.313 3.053 20 0 FGADRP CCOc1c(Br)cc(C[NH2+][C@H]2CCC[C@H]([NH3+])C2)cc1OC ZINC000414911277 714005556 /nfs/dbraw/zinc/00/55/56/714005556.db2.gz DSCGKMGZORCFFE-STQMWFEESA-N 2 0 357.292 3.216 20 0 FGADRP CC[C@@H](C)[N@H+](C)CCNC(=O)Nc1nc(CN2CCC[C@@H](C)C2)cs1 ZINC000522132826 714171717 /nfs/dbraw/zinc/17/17/17/714171717.db2.gz SRXWCFKYXMGQQZ-HUUCEWRRSA-N 2 0 367.563 3.227 20 0 FGADRP CC(C)(C)[N@@H+]1CCCN(C(=O)NCCCCC[NH+]2CCCCC2)CC1 ZINC000523435567 714234481 /nfs/dbraw/zinc/23/44/81/714234481.db2.gz BGVQMYRKUALUCW-UHFFFAOYSA-N 2 0 352.567 3.158 20 0 FGADRP C[NH+](C)CC1CCC([NH2+]Cc2c(Cl)cccc2N2CCOCC2)CC1 ZINC000579983741 714502786 /nfs/dbraw/zinc/50/27/86/714502786.db2.gz BQIBNVATAJESDC-UHFFFAOYSA-N 2 0 365.949 3.387 20 0 FGADRP C[N@H+](Cc1ccc2nc(NC(=O)CCc3c[nH]cn3)sc2c1)C1CC1 ZINC000617865410 714697547 /nfs/dbraw/zinc/69/75/47/714697547.db2.gz FDXNJBWLUOQGKS-UHFFFAOYSA-N 2 0 355.467 3.185 20 0 FGADRP Brc1ccc2c(c1)[C@@H]([NH2+][C@H]1CC13CC[NH2+]CC3)CCCO2 ZINC000643535400 718038093 /nfs/dbraw/zinc/03/80/93/718038093.db2.gz LPPOWNYBQRDDIU-HOCLYGCPSA-N 2 0 351.288 3.395 20 0 FGADRP COc1cc(Br)c(CN[C@@H]2CC[N@H+](C)C(C)(C)C2)cc1OC ZINC000623405334 715328825 /nfs/dbraw/zinc/32/88/25/715328825.db2.gz BXVLTMLPAAMHBS-CYBMUJFWSA-N 2 0 371.319 3.429 20 0 FGADRP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCN(c3cccc(Br)c3)C2)CC1(C)C ZINC000623509574 715351238 /nfs/dbraw/zinc/35/12/38/715351238.db2.gz JEJFFZAHRFVRKL-JKSUJKDBSA-N 2 0 366.347 3.490 20 0 FGADRP Cc1ccc(Br)cc1[C@H](C)[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000623888438 715424888 /nfs/dbraw/zinc/42/48/88/715424888.db2.gz HFMAEKQBLJEYQA-INIZCTEOSA-N 2 0 368.363 3.436 20 0 FGADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000779132018 724394173 /nfs/dbraw/zinc/39/41/73/724394173.db2.gz XCTANHWIWKUYQI-MSOLQXFVSA-N 2 0 353.551 3.344 20 0 FGADRP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)CCc2cccc(C(F)(F)F)c2)CC1 ZINC000628165139 716119112 /nfs/dbraw/zinc/11/91/12/716119112.db2.gz NTRLNPWJBSMSPE-OAHLLOKOSA-N 2 0 358.448 3.273 20 0 FGADRP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2CCc1cccc(C(F)(F)F)c1 ZINC000628191005 716123100 /nfs/dbraw/zinc/12/31/00/716123100.db2.gz XFTQCDZQJKQZCK-FGTMMUONSA-N 2 0 356.432 3.431 20 0 FGADRP Clc1ccc(N2CCO[C@H](C[NH2+][C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)C2)cc1 ZINC000629523107 716302739 /nfs/dbraw/zinc/30/27/39/716302739.db2.gz KFUXUBZFNBYFAX-IYWMVGAKSA-N 2 0 363.933 3.056 20 0 FGADRP [NH3+]CCCOCC[NH2+][C@H]1CCCc2c3cc(Br)ccc3[nH]c21 ZINC000629540725 716305167 /nfs/dbraw/zinc/30/51/67/716305167.db2.gz WWMRFXMYBNRUKL-INIZCTEOSA-N 2 0 366.303 3.263 20 0 FGADRP C[C@@H]1C[C@H](c2ccc(Br)cc2)C[N@@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000629581890 716311862 /nfs/dbraw/zinc/31/18/62/716311862.db2.gz JCERFUHWUOYLOA-KMFMINBZSA-N 2 0 365.315 3.148 20 0 FGADRP C[NH+](C)Cc1ccc(NC(=S)NCC2CC[NH+](C)CC2)cc1Cl ZINC000795016956 723556744 /nfs/dbraw/zinc/55/67/44/723556744.db2.gz GSTMJSWOKKSYLX-UHFFFAOYSA-N 2 0 354.951 3.030 20 0 FGADRP O=S1(=O)CCC[C@@H]([NH2+]Cc2cccc(C[NH+]3CCCCCC3)c2)CC1 ZINC000634957733 717135612 /nfs/dbraw/zinc/13/56/12/717135612.db2.gz WIGYYSXUSBONOT-HXUWFJFHSA-N 2 0 364.555 3.120 20 0 FGADRP COCCOc1ccc([C@@H](C)[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)cc1OC ZINC000635007274 717139496 /nfs/dbraw/zinc/13/94/96/717139496.db2.gz APGLYGXMKJQFBV-WBVHZDCISA-N 2 0 350.503 3.149 20 0 FGADRP C[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1)c1ccc(S(C)(=O)=O)cc1 ZINC000635013620 717139516 /nfs/dbraw/zinc/13/95/16/717139516.db2.gz UHRINBAIDYHICD-XFWGSAIBSA-N 2 0 364.555 3.094 20 0 FGADRP CCC[N@H+](C)[C@H](CNC(=O)C[C@H]1CC[NH+](C)C1)c1ccc(Cl)cc1 ZINC000635914919 717209739 /nfs/dbraw/zinc/20/97/39/717209739.db2.gz QRXAYPQEOLHRKW-CRAIPNDOSA-N 2 0 351.922 3.181 20 0 FGADRP C[N@H+](CC[C@H]1CCCN(C(=O)OC(C)(C)C)C1)C[C@H]1CCC[NH+](C)C1 ZINC000801922286 724345794 /nfs/dbraw/zinc/34/57/94/724345794.db2.gz HKJSMQFHWXHTED-MSOLQXFVSA-N 2 0 353.551 3.297 20 0 FGADRP C[NH+](C)C[C@@H](NC(=O)[C@@H]1CCC[NH2+]CC1)c1ccc(Cl)c(Cl)c1 ZINC000638665056 717473934 /nfs/dbraw/zinc/47/39/34/717473934.db2.gz ZDCOJICGAVJROP-MLGOLLRUSA-N 2 0 358.313 3.102 20 0 FGADRP CC[NH+](CC)CCOC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCC1(F)F ZINC000803907945 724481957 /nfs/dbraw/zinc/48/19/57/724481957.db2.gz ZWSNAMTYZWLIAE-QGZVFWFLSA-N 2 0 354.441 3.029 20 0 FGADRP C[C@@H]([NH2+]C[C@H](O)CO[C@@H](C)c1ccc(Cl)cc1)C1CC[NH+](C)CC1 ZINC000644562899 718124535 /nfs/dbraw/zinc/12/45/35/718124535.db2.gz GSDUWFWJFIRUPP-VCBZYWHSSA-N 2 0 354.922 3.098 20 0 FGADRP O[C@H](C[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21)CC(F)(F)F ZINC000644619338 718134418 /nfs/dbraw/zinc/13/44/18/718134418.db2.gz CZPOCBFPPYSQJZ-XMTFNYHQSA-N 2 0 356.432 3.190 20 0 FGADRP C[N@H+](CCC[C@@H]1CCOC1)[C@@H]1CCC[NH+](CCC[C@H]2CCOC2)CC1 ZINC000645839683 718245669 /nfs/dbraw/zinc/24/56/69/718245669.db2.gz XSLYWQBDBJCGRR-QHAWAJNXSA-N 2 0 352.563 3.406 20 0 FGADRP CC[NH+](CC)Cc1ccc(C(=O)Nc2ncc(C3CC[NH2+]CC3)s2)o1 ZINC000646354754 718280584 /nfs/dbraw/zinc/28/05/84/718280584.db2.gz MAHMFCVILBAEPP-UHFFFAOYSA-N 2 0 362.499 3.297 20 0 FGADRP C[N@@H+]1C[C@@H](C[NH2+]Cc2cnc3ccc(Cl)cn23)[C@H](c2ccccc2)C1 ZINC000647248818 718342888 /nfs/dbraw/zinc/34/28/88/718342888.db2.gz ILFHEFBNNLJVLA-APWZRJJASA-N 2 0 354.885 3.423 20 0 FGADRP CC[C@@H]1C[N@H+](Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)CC[C@H]1[NH3+] ZINC000647497697 718364083 /nfs/dbraw/zinc/36/40/83/718364083.db2.gz RQFFLCWODHMLSM-GDBMZVCRSA-N 2 0 352.404 3.450 20 0 FGADRP Cc1nn2c(C[N@@H+]3CCC[C@H]([C@@H]4CCC[NH2+]C4)C3)c(C(C)C)nc2s1 ZINC000647544025 718366451 /nfs/dbraw/zinc/36/64/51/718366451.db2.gz VPGSLNZGUCOHGR-CVEARBPZSA-N 2 0 361.559 3.434 20 0 FGADRP Clc1cccc(-c2noc(CC[N@@H+]3CCC[C@H]([C@@H]4CCC[NH2+]4)C3)n2)c1 ZINC000647903618 718385648 /nfs/dbraw/zinc/38/56/48/718385648.db2.gz NCVMDPRIEMUQDU-RDJZCZTQSA-N 2 0 360.889 3.397 20 0 FGADRP C[C@H](C(=O)NCc1ccccc1Cl)[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647976248 718391222 /nfs/dbraw/zinc/39/12/22/718391222.db2.gz MBKBMYPIQZJHOE-SOLBZPMBSA-N 2 0 363.933 3.056 20 0 FGADRP C[NH+](C)[C@@H](CNC(=O)[C@@H]([NH3+])c1cccc(Cl)c1)c1ccc(Cl)cc1 ZINC000649346442 718506354 /nfs/dbraw/zinc/50/63/54/718506354.db2.gz HUKXFXQQNANIOY-IRXDYDNUSA-N 2 0 366.292 3.412 20 0 FGADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@H+](Cc3ccc(OC(F)F)c(F)c3)C2)C1 ZINC000650707379 718717791 /nfs/dbraw/zinc/71/77/91/718717791.db2.gz DVZLFYOCROEYFY-CKEIUWERSA-N 2 0 358.404 3.145 20 0 FGADRP Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+]CCC1(C[NH3+])CC1 ZINC000650713271 718718719 /nfs/dbraw/zinc/71/87/19/718718719.db2.gz MSMGZACWZFSBBL-UHFFFAOYSA-N 2 0 363.303 3.162 20 0 FGADRP C[C@@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]CCC1CC[NH2+]CC1 ZINC000650763859 718725036 /nfs/dbraw/zinc/72/50/36/718725036.db2.gz KTPBEQOWHLOJQT-HNNXBMFYSA-N 2 0 351.922 3.056 20 0 FGADRP CC[N@H+](CCCNC(=O)N(C)[C@@H]1CC[NH+](C)C[C@H]1C)C1CCCCC1 ZINC000651220058 718784355 /nfs/dbraw/zinc/78/43/55/718784355.db2.gz QXDLJMSQWGPWSE-IEBWSBKVSA-N 2 0 352.567 3.013 20 0 FGADRP FC(F)(F)[C@@H]1CCC2(CC[NH2+]CC2)N1c1ncccc1C[NH+]1CCCC1 ZINC001164413980 718881721 /nfs/dbraw/zinc/88/17/21/718881721.db2.gz PHFJUCVLNASNFC-INIZCTEOSA-N 2 0 368.447 3.331 20 0 FGADRP [NH3+]C[C@]12CCC[C@H]1C[N@H+](CCOc1cc(F)cc(Br)c1)C2 ZINC000652352370 718935776 /nfs/dbraw/zinc/93/57/76/718935776.db2.gz MDANPZXTIATSDS-LRDDRELGSA-N 2 0 357.267 3.028 20 0 FGADRP C[C@@H]([NH3+])[C@H]1CCN(C(=O)Nc2ccc(SCC[NH+]3CCCC3)cc2)C1 ZINC000652613059 718965868 /nfs/dbraw/zinc/96/58/68/718965868.db2.gz IYCMJCJLIFMNLK-CVEARBPZSA-N 2 0 362.543 3.076 20 0 FGADRP [NH3+][C@@H]1CCC[C@@H](NC(=O)Nc2ccc(SCC[NH+]3CCCC3)cc2)C1 ZINC000652613942 718966335 /nfs/dbraw/zinc/96/63/35/718966335.db2.gz ILHWAPPPGFFVGI-NVXWUHKLSA-N 2 0 362.543 3.266 20 0 FGADRP c1ccc([C@@H]2C[NH2+]C[C@@]23CCN(c2ccc(C[NH+]4CCCC4)cn2)C3)cc1 ZINC001164623039 719047904 /nfs/dbraw/zinc/04/79/04/719047904.db2.gz LMRHSSLVHSEYHG-JTHBVZDNSA-N 2 0 362.521 3.261 20 0 FGADRP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](CCC(C)(C)C2CC2)CC1 ZINC000653558064 719057474 /nfs/dbraw/zinc/05/74/74/719057474.db2.gz TXFCHBCRCDTTRG-UHFFFAOYSA-N 2 0 351.579 3.229 20 0 FGADRP C[NH+](C)Cc1ccnc(N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c1 ZINC001164623345 719104575 /nfs/dbraw/zinc/10/45/75/719104575.db2.gz CNFQIXFCXCZVFK-LEWJYISDSA-N 2 0 350.510 3.244 20 0 FGADRP CN(C)[C@H](C[NH2+]Cc1ccnn1-c1cc[nH+]cc1)c1ccc(Cl)cc1 ZINC000657384038 719637583 /nfs/dbraw/zinc/63/75/83/719637583.db2.gz QUEKGWKQVSNOBZ-LJQANCHMSA-N 2 0 355.873 3.313 20 0 FGADRP COc1ccc([C@@H](C)[NH2+]CC2CC[NH+](C3CCOCC3)CC2)cc1F ZINC000658070553 719751554 /nfs/dbraw/zinc/75/15/54/719751554.db2.gz XWOHOZCYTDQKOC-OAHLLOKOSA-N 2 0 350.478 3.376 20 0 FGADRP CC(C)(C)O[C@@H]1C[C@@H]([NH2+]CC2CC[NH+](C3CCOCC3)CC2)C1(C)C ZINC000658071397 719751608 /nfs/dbraw/zinc/75/16/08/719751608.db2.gz WSOSXNQTPCSZJZ-RTBURBONSA-N 2 0 352.563 3.449 20 0 FGADRP C[C@@H]([NH2+][C@@H](C)CN(C)CCC[NH+](C)C)c1cc(Br)cs1 ZINC000658105687 719757052 /nfs/dbraw/zinc/75/70/52/719757052.db2.gz CNKBFWVIQQPJQT-QWHCGFSZSA-N 2 0 362.381 3.433 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H](N[C@@H]2CC[NH+](C3CCCCC3)C2)[C@H](C)C1 ZINC000658230272 719771938 /nfs/dbraw/zinc/77/19/38/719771938.db2.gz XKHLGPVAFVYZJU-SBHAEUEKSA-N 2 0 351.579 3.120 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)N(C)CC(C)(C)[NH3+])c1ccccc1Cl ZINC000659427720 719913041 /nfs/dbraw/zinc/91/30/41/719913041.db2.gz SAGGNKPSPDHHOC-INIZCTEOSA-N 2 0 354.926 3.102 20 0 FGADRP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](CC[C@H]2Sc3ccccc3NC2=O)C1 ZINC000659979904 719967312 /nfs/dbraw/zinc/96/73/12/719967312.db2.gz YUJONOCLRYQJQX-QFBILLFUSA-N 2 0 359.539 3.153 20 0 FGADRP Brc1ccc([C@H]2CCC[N@@H+]2C[C@@H]2CCC3(C[NH2+]C3)O2)s1 ZINC000662281736 720409596 /nfs/dbraw/zinc/40/95/96/720409596.db2.gz ZTQRLDIOLPALAA-NWDGAFQWSA-N 2 0 357.317 3.169 20 0 FGADRP C[C@@H](NC(=O)C[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1)c1ccccc1Cl ZINC000662297893 720411889 /nfs/dbraw/zinc/41/18/89/720411889.db2.gz SSOYQDALPAZTEF-WBVHZDCISA-N 2 0 363.933 3.229 20 0 FGADRP CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3cc4[nH]ccc4c[nH+]3)CC[C@@H]21 ZINC001164834895 720515986 /nfs/dbraw/zinc/51/59/86/720515986.db2.gz HXCMWUJKWLKKBC-BJLQDIEVSA-N 2 0 364.497 3.137 20 0 FGADRP C[NH2+]CCCC(=O)N1CCC([NH2+][C@@H](C)CCc2ccc(Cl)s2)CC1 ZINC000663506543 720520650 /nfs/dbraw/zinc/52/06/50/720520650.db2.gz UMGHLICIASEEDD-AWEZNQCLSA-N 2 0 371.978 3.303 20 0 FGADRP CC(C)(C)N(c1ncccc1C[NH+]1CCCC1)[C@H]1COC2(C1)CC[NH2+]CC2 ZINC001164733713 720547498 /nfs/dbraw/zinc/54/74/98/720547498.db2.gz QCBRMNCSBDFGFH-LJQANCHMSA-N 2 0 372.557 3.193 20 0 FGADRP Cc1ccc(S(=O)(=O)[C@H]2CCCC[C@H]2[NH2+]CC[C@@H]([NH3+])C(C)C)cc1 ZINC000665282173 720749917 /nfs/dbraw/zinc/74/99/17/720749917.db2.gz SGJNNKBJFIPTLJ-QRVBRYPASA-N 2 0 352.544 3.043 20 0 FGADRP C[NH+](C)C[C@@H](NC(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C)c1ccc(Cl)cc1 ZINC000665357534 720758949 /nfs/dbraw/zinc/75/89/49/720758949.db2.gz OZOMCEFURXGWGQ-IAGOWNOFSA-N 2 0 366.937 3.115 20 0 FGADRP [NH3+]Cc1cccc(NC(=O)NCC2CC[NH+](Cc3cccs3)CC2)c1 ZINC000667729682 721165139 /nfs/dbraw/zinc/16/51/39/721165139.db2.gz RAWHPUPQRAEYCX-UHFFFAOYSA-N 2 0 358.511 3.241 20 0 FGADRP CC1CC[NH+]([C@H](CNC(=O)N[C@@H]2CCC[C@H]([NH3+])C2)c2cccs2)CC1 ZINC000668644669 721325305 /nfs/dbraw/zinc/32/53/05/721325305.db2.gz GATPDDQMSWQAAN-GVDBMIGSSA-N 2 0 364.559 3.090 20 0 FGADRP Fc1cccc(O[C@@H]2C[C@@H]3CN(c4cc5[nH]ccc5c[nH+]4)CC[N@@H+]3C2)c1 ZINC001164898114 721516229 /nfs/dbraw/zinc/51/62/29/721516229.db2.gz HTXNBLIDXJTBHV-SJLPKXTDSA-N 2 0 352.413 3.044 20 0 FGADRP CC[C@H](C[NH+]1CCCC1)NC(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000670136239 721519293 /nfs/dbraw/zinc/51/92/93/721519293.db2.gz SHTMOXTVEJRQJJ-MSOLQXFVSA-N 2 0 366.937 3.116 20 0 FGADRP CCc1nc(CN2CCC(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@H]4C3)CC2)cs1 ZINC000677241506 721875674 /nfs/dbraw/zinc/87/56/74/721875674.db2.gz PONXFCIGPOEUKY-MJGOQNOKSA-N 2 0 362.587 3.134 20 0 FGADRP FC(F)Oc1ccccc1N1CC[C@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000677242017 721876239 /nfs/dbraw/zinc/87/62/39/721876239.db2.gz WFGBJSPQODZEJD-HRCADAONSA-N 2 0 351.441 3.083 20 0 FGADRP C[C@H]1CCCC[N@@H+]1CCCC[NH2+][C@@H]1CCS(=O)(=O)c2ccc(F)cc21 ZINC000678806702 721979960 /nfs/dbraw/zinc/97/99/60/721979960.db2.gz QBRUJFKYJSQLII-MAUKXSAKSA-N 2 0 368.518 3.288 20 0 FGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+][C@H](C)CCCCO)CC1 ZINC000679341026 722024013 /nfs/dbraw/zinc/02/40/13/722024013.db2.gz WBCOPNFHAUMBPV-IAGOWNOFSA-N 2 0 351.510 3.169 20 0 FGADRP CC(C)[C@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccc(F)c(F)c1 ZINC000679771571 722047748 /nfs/dbraw/zinc/04/77/48/722047748.db2.gz SXHGWKYSIHHCPS-UZLBHIALSA-N 2 0 351.485 3.420 20 0 FGADRP Cc1cnc(N2CCC[C@@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)c(C[NH3+])c1 ZINC001164994912 722205889 /nfs/dbraw/zinc/20/58/89/722205889.db2.gz JSFSWGOEWFYSJL-OAQYLSRUSA-N 2 0 354.473 3.233 20 0 FGADRP CC(C)(C)OC(=O)N1CCC(CC[NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000702610352 722410656 /nfs/dbraw/zinc/41/06/56/722410656.db2.gz HUUHYUDNAIENJM-ZWKOTPCHSA-N 2 0 351.535 3.240 20 0 FGADRP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]CCC2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000715563867 722415890 /nfs/dbraw/zinc/41/58/90/722415890.db2.gz YIOBOJVMGIKLFX-QZTJIDSGSA-N 2 0 353.551 3.486 20 0 FGADRP C[C@@H]1CCC[N@H+](CCCC[NH2+]C[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000727465737 722444845 /nfs/dbraw/zinc/44/48/45/722444845.db2.gz JEQCXSIYFAQUCY-MSOLQXFVSA-N 2 0 353.551 3.488 20 0 FGADRP C/C(=C\C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)c1ccccc1Cl ZINC000727863419 722448129 /nfs/dbraw/zinc/44/81/29/722448129.db2.gz MEFVEQXXXDROAM-WUKNDPDISA-N 2 0 365.949 3.475 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)/C=C/c1ccc(Cl)s1 ZINC000750734335 722779385 /nfs/dbraw/zinc/77/93/85/722779385.db2.gz DFILWRDOJJHKHP-HQPKTYMTSA-N 2 0 369.962 3.289 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)/C=C\c1ccc(Cl)s1 ZINC000750734338 722779413 /nfs/dbraw/zinc/77/94/13/722779413.db2.gz DFILWRDOJJHKHP-WWRUEGTHSA-N 2 0 369.962 3.289 20 0 FGADRP CC[NH+](CC)CCC[N@@H+]1CCC2(C1)CCN(C(=O)OC(C)(C)C)CC2 ZINC000755048672 722949690 /nfs/dbraw/zinc/94/96/90/722949690.db2.gz OZBXRWMTOKSTIO-UHFFFAOYSA-N 2 0 353.551 3.441 20 0 FGADRP C[NH+](C)CCOc1ccc(C[NH2+][C@@H]2CC[C@H]3SCCS[C@@H]23)cc1 ZINC000762612093 723261957 /nfs/dbraw/zinc/26/19/57/723261957.db2.gz CMFVKYOCUYGVGY-KURKYZTESA-N 2 0 352.569 3.096 20 0 FGADRP CCC[N@@H+]1CC[C@H](C[NH2+]C2CCC(CNC(=O)OC(C)(C)C)CC2)C1 ZINC000796274777 723629621 /nfs/dbraw/zinc/62/96/21/723629621.db2.gz AECARAWQMGHBPP-LXPRWKDFSA-N 2 0 353.551 3.391 20 0 FGADRP CC(C)(C)OC(=O)NC[C@@H]1CCC[C@@H]1[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000774495523 723899939 /nfs/dbraw/zinc/89/99/39/723899939.db2.gz JFPRCQBAYGZGPB-WMZOPIPTSA-N 2 0 351.535 3.144 20 0 FGADRP Cc1cc(Br)cc(CN2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)c1 ZINC000774911457 723941949 /nfs/dbraw/zinc/94/19/49/723941949.db2.gz GPMSPPRGMYMWLA-RCCFBDPRSA-N 2 0 367.331 3.441 20 0 FGADRP COc1ccc([C@H](C)[NH2+]CC[C@@H](C)[S@](C)=O)cc1C[NH+]1CCCCC1 ZINC000775416267 723989377 /nfs/dbraw/zinc/98/93/77/723989377.db2.gz XODVRXOLGIZVIG-YPBQGGFRSA-N 2 0 366.571 3.489 20 0 FGADRP Cc1ccc(Cl)c(OC[C@@H](O)C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)c1 ZINC000799178166 723995459 /nfs/dbraw/zinc/99/54/59/723995459.db2.gz OPKQCOIRBHGGAP-KRWDZBQOSA-N 2 0 366.933 3.196 20 0 FGADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CC[C@]2(C1)CCCN(C(=O)OC(C)(C)C)C2 ZINC000802009058 724353066 /nfs/dbraw/zinc/35/30/66/724353066.db2.gz LNKHOPJPEHDSJH-XLIONFOSSA-N 2 0 351.535 3.194 20 0 FGADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1C[C@@H]2CCC[C@H](NC(=O)OC(C)(C)C)[C@H]2C1 ZINC000784510062 724859775 /nfs/dbraw/zinc/85/97/75/724859775.db2.gz JIFAVBLTEUCOLC-MHORFTMASA-N 2 0 351.535 3.096 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@H](O)c2cc(F)cc(Cl)c2)[C@@H](C)C1 ZINC000787034968 725014321 /nfs/dbraw/zinc/01/43/21/725014321.db2.gz MIBDGBAFHFGYHS-JVPBZIDWSA-N 2 0 372.912 3.239 20 0 FGADRP CSC1(C[NH2+][C@@H](C)C[C@H](C)NC(=O)OC(C)(C)C)CC[NH+](C)CC1 ZINC000810253070 725300077 /nfs/dbraw/zinc/30/00/77/725300077.db2.gz ZCEBJJUBTUXSSZ-GJZGRUSLSA-N 2 0 359.580 3.095 20 0 FGADRP CSC1(C[NH2+][C@H]2CCC[C@H]2CNC(=O)OC(C)(C)C)CC[NH+](C)CC1 ZINC000810253145 725300088 /nfs/dbraw/zinc/30/00/88/725300088.db2.gz MUBIYAGDDDTDOC-HOTGVXAUSA-N 2 0 371.591 3.097 20 0 FGADRP CC(C)C[C@@H](C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C)NC(=O)OC(C)(C)C ZINC000811506048 725370485 /nfs/dbraw/zinc/37/04/85/725370485.db2.gz MLAMOQWBOGNNHY-XNHLSEOASA-N 2 0 353.551 3.483 20 0 FGADRP C[NH+](C)C[C@@H](NC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1)c1ccc(Cl)cc1 ZINC000811505151 725370505 /nfs/dbraw/zinc/37/05/05/725370505.db2.gz GVLJOQLCTKBMLR-VQIMIIECSA-N 2 0 369.912 3.271 20 0 FGADRP CC(C)[NH2+]C1CC[NH+](C[C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)CC1 ZINC000813335081 726862834 /nfs/dbraw/zinc/86/28/34/726862834.db2.gz KBDZBRZZDVQKCI-DLBZAZTESA-N 2 0 353.551 3.484 20 0 FGADRP C[NH+](C)CCOc1ccccc1C[NH2+]C[C@H](O)c1ccc(F)cc1Cl ZINC000818984202 727334257 /nfs/dbraw/zinc/33/42/57/727334257.db2.gz AIMCYEFWWKNDBE-SFHVURJKSA-N 2 0 366.864 3.243 20 0 FGADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+]C[C@@H](O)c2ccc(F)c(Br)c2)C1 ZINC000818984624 727334524 /nfs/dbraw/zinc/33/45/24/727334524.db2.gz JLZKGGSAJAKHNX-CXAGYDPISA-N 2 0 373.310 3.332 20 0 FGADRP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]C[C@@](C)(O)c2ccc(Br)cc2F)C1 ZINC000819134550 727350907 /nfs/dbraw/zinc/35/09/07/727350907.db2.gz IDOGWJOAVVJWIO-JJRVBVJISA-N 2 0 373.310 3.258 20 0 FGADRP O[C@H](C[NH2+]C1CCC([NH+]2CCCCC2)CC1)COCc1cccs1 ZINC000819142659 727351927 /nfs/dbraw/zinc/35/19/27/727351927.db2.gz PEAODPACUXYWMY-DAWZGUTISA-N 2 0 352.544 3.012 20 0 FGADRP CSC1(C[NH2+]C[C@H](O)c2ccc(Cl)cc2Cl)CC[NH+](C)CC1 ZINC000819323303 727367140 /nfs/dbraw/zinc/36/71/40/727367140.db2.gz ZGLPUNDOKRRREE-HNNXBMFYSA-N 2 0 363.354 3.444 20 0 FGADRP C[C@@H]1CC[C@@H]([NH2+]C2CCC(C[NH+](C)C)CC2)CN1C(=O)OC(C)(C)C ZINC000822465091 729177906 /nfs/dbraw/zinc/17/79/06/729177906.db2.gz ZZSXJUKQFIPBOD-AQEOSJORSA-N 2 0 353.551 3.484 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1CCC[NH2+]C[C@@]12C[C@@H]1CN(C(=O)OC(C)(C)C)C2 ZINC000823596822 729291296 /nfs/dbraw/zinc/29/12/96/729291296.db2.gz WEUBEHDAUSLGQO-MBOZVWFJSA-N 2 0 351.535 3.098 20 0 FGADRP CC(C)[N@@H+]1CC[C@@H](C[NH2+][C@H](C)[C@H]2CCCCN2C(=O)OC(C)(C)C)C1 ZINC000824383042 729334934 /nfs/dbraw/zinc/33/49/34/729334934.db2.gz JFBXWUNDEMNZHH-FGTMMUONSA-N 2 0 353.551 3.484 20 0 FGADRP OC[C@@H]1CCCC[NH+]1Cc1cc(Cl)cc(C[N@H+]2CCCC[C@H]2CO)c1 ZINC000827411438 729429872 /nfs/dbraw/zinc/42/98/72/729429872.db2.gz UVNGRICNUXYWNR-PMACEKPBSA-N 2 0 366.933 3.034 20 0 FGADRP [NH3+]Cc1cn([C@H]2CCC[N@H+](Cc3ccc(SC(F)(F)F)cc3)C2)nn1 ZINC000841100435 730211371 /nfs/dbraw/zinc/21/13/71/730211371.db2.gz YGLKKIXDLWFMAS-AWEZNQCLSA-N 2 0 371.432 3.186 20 0 FGADRP Cc1cc(Br)cn2c(C[N@@H+](C)C3CCC([NH3+])CC3)cnc12 ZINC000843054865 730574742 /nfs/dbraw/zinc/57/47/42/730574742.db2.gz LIIQFTZFYZYDKI-UHFFFAOYSA-N 2 0 351.292 3.107 20 0 FGADRP CC(C)n1ncc2cc(C[N@@H+]3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)c(Cl)nc21 ZINC000843125726 730588980 /nfs/dbraw/zinc/58/89/80/730588980.db2.gz GIHVWAFHIOGIBK-HUUCEWRRSA-N 2 0 361.921 3.487 20 0 FGADRP C[N@H+](Cc1cc2c(cc1Br)OCCCO2)C1CCC([NH3+])CC1 ZINC000843355334 730609959 /nfs/dbraw/zinc/60/99/59/730609959.db2.gz RXFSBQFKXBTDGR-UHFFFAOYSA-N 2 0 369.303 3.312 20 0 FGADRP C[C@H]1C[C@H]([NH2+]C2CCC(C[NH+](C)C)CC2)CN(C(=O)OC(C)(C)C)C1 ZINC000843401400 730615339 /nfs/dbraw/zinc/61/53/39/730615339.db2.gz KBKPWEBYUIRNME-BFWZDYSYSA-N 2 0 353.551 3.342 20 0 FGADRP C[C@@H]1CCC[N@H+](CC[C@@H]2CCC[NH+]2C)[C@@H]1CCNC(=O)OC(C)(C)C ZINC000844401670 730712906 /nfs/dbraw/zinc/71/29/06/730712906.db2.gz NZAOIMCWPMQZTE-FGTMMUONSA-N 2 0 353.551 3.486 20 0 FGADRP CCOC(=O)C(F)(F)[C@@H]1CCC[C@H]([NH2+]Cc2ccccc2C[NH2+]C)C1 ZINC000844904457 730787326 /nfs/dbraw/zinc/78/73/26/730787326.db2.gz MSPBDJSIYFFKLX-SJORKVTESA-N 2 0 354.441 3.253 20 0 FGADRP COc1cc(OC)c(C2CC[NH+](CCCCCC[NH3+])CC2)c(OC)c1 ZINC000846218597 730937379 /nfs/dbraw/zinc/93/73/79/730937379.db2.gz ZXPNPIJYEKYQRX-UHFFFAOYSA-N 2 0 350.503 3.411 20 0 FGADRP C[NH+](C)CC1(CNC(=[NH2+])NCc2cccc(C(F)(F)F)c2)CCCC1 ZINC000849083689 731227219 /nfs/dbraw/zinc/22/72/19/731227219.db2.gz DXINXUVKJNFABO-UHFFFAOYSA-N 2 0 356.436 3.441 20 0 FGADRP CC(C)C[N@@H+]1CC[C@@H](CNC(=[NH2+])Nc2cccc(OC(F)(F)F)c2)C1 ZINC000849083761 731227251 /nfs/dbraw/zinc/22/72/51/731227251.db2.gz HRZHLUURMBSRIW-ZDUSSCGKSA-N 2 0 358.408 3.499 20 0 FGADRP C[N@@H+]1CCC[C@@H](CNC(=[NH2+])N2CCC2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000849111726 731230276 /nfs/dbraw/zinc/23/02/76/731230276.db2.gz BZIXVLFPMLFUDK-HOCLYGCPSA-N 2 0 354.420 3.318 20 0 FGADRP C[C@@H]([NH2+]C[C@]12OCCC[C@H]1C2(F)F)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000850535180 731370515 /nfs/dbraw/zinc/37/05/15/731370515.db2.gz VMQKPVASWVHYQT-OWYHZJEWSA-N 2 0 350.453 3.301 20 0 FGADRP CC[C@@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000858491475 732220186 /nfs/dbraw/zinc/22/01/86/732220186.db2.gz IRQHZLOKVRSARK-KZNAEPCWSA-N 2 0 353.551 3.486 20 0 FGADRP C[C@@]1(O)CCC[NH+](CC[Si](C)(C)CC[N@H+]2CCC[C@@](C)(O)CC2)CC1 ZINC000859285577 732304408 /nfs/dbraw/zinc/30/44/08/732304408.db2.gz ZICQIINDKTUZGU-WOJBJXKFSA-N 2 0 370.654 3.169 20 0 FGADRP CCOC(=O)C1([C@@H](C)[NH2+][C@@H]2CCc3ccc(Cl)cc32)CC[NH2+]CC1 ZINC000863549086 732975991 /nfs/dbraw/zinc/97/59/91/732975991.db2.gz ZAEXQSWRQJYTSC-CXAGYDPISA-N 2 0 350.890 3.238 20 0 FGADRP C[NH+](C)CCCC(C)(C)[NH2+]Cc1cnc(NC(=O)OC(C)(C)C)cn1 ZINC000865590937 733232317 /nfs/dbraw/zinc/23/23/17/733232317.db2.gz WVVQDNZWEJXZJX-UHFFFAOYSA-N 2 0 351.495 3.034 20 0 FGADRP C[NH+](C)C[C@@H]1CN(C(=O)Nc2cc(Cl)cc(Cl)c2)C[C@H]1C[NH+](C)C ZINC000866041627 733304987 /nfs/dbraw/zinc/30/49/87/733304987.db2.gz XCBMYHCDXCSOAU-CHWSQXEVSA-N 2 0 373.328 3.197 20 0 FGADRP C[C@@H]1C[C@@H]([NH2+]C[C@H]2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)CC[N@@H+]1C ZINC000866549364 733364644 /nfs/dbraw/zinc/36/46/44/733364644.db2.gz MBFLNOAIBGVGJB-DFBDCSAJSA-N 2 0 351.535 3.237 20 0 FGADRP CC[C@H]([NH2+]CC1(SC)CC[NH+](C)CC1)C(=O)N(C)c1ccc(C)cc1 ZINC000871885505 735560748 /nfs/dbraw/zinc/56/07/48/735560748.db2.gz JLTPBSAYPOVZGY-SFHVURJKSA-N 2 0 363.571 3.153 20 0 FGADRP CC(C)C[N@H+](CC1CC[NH+](C)CC1)Cn1c2c(sc1=O)CCCC2 ZINC000872744137 735670242 /nfs/dbraw/zinc/67/02/42/735670242.db2.gz PKIJRNSGEHHDIH-UHFFFAOYSA-N 2 0 351.560 3.046 20 0 FGADRP CCOC(=O)c1sc(C2CC[NH+](C[C@@H]3CC[NH2+][C@H](C)C3)CC2)nc1C ZINC000873222995 735739507 /nfs/dbraw/zinc/73/95/07/735739507.db2.gz JBNXUBMLIVOLEP-UKRRQHHQSA-N 2 0 365.543 3.196 20 0 FGADRP COc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+][C@H](C)C1CC[NH2+]CC1 ZINC000873220318 735739517 /nfs/dbraw/zinc/73/95/17/735739517.db2.gz JLFVJCWFIQATKR-CHWSQXEVSA-N 2 0 353.894 3.043 20 0 FGADRP Cc1ccc(S(=O)(=O)[C@H]2CCCC[C@@H]2[NH2+][C@H](C)C2CC[NH2+]CC2)cc1 ZINC000873270314 735744901 /nfs/dbraw/zinc/74/49/01/735744901.db2.gz ZJIMNXPDIHEUHC-UXPWSPDFSA-N 2 0 364.555 3.058 20 0 FGADRP COc1cc([C@H](C)[NH2+]C[C@H]2CC3(CO2)CC[NH2+]CC3)ccc1SC ZINC000873291628 735747014 /nfs/dbraw/zinc/74/70/14/735747014.db2.gz LXTZRJDIOOMUFA-GOEBONIOSA-N 2 0 350.528 3.226 20 0 FGADRP C[NH+](C)CCCCCCCNC(=O)N1CCC(C)([NH+]2CCCC2)CC1 ZINC000875156690 735964943 /nfs/dbraw/zinc/96/49/43/735964943.db2.gz AEJHWERGJSTOTD-UHFFFAOYSA-N 2 0 352.567 3.158 20 0 FGADRP C[NH+](C)[C@@H](CNC(=O)[C@@H]([NH3+])c1cccc(C(F)(F)F)c1)c1cccs1 ZINC000876711013 736135073 /nfs/dbraw/zinc/13/50/73/736135073.db2.gz RQKZGOHTUKKEPF-ZFWWWQNUSA-N 2 0 371.428 3.186 20 0 FGADRP C[NH+]1CCN(C[C@H]([NH2+]Cc2cccc(Cl)c2N)c2ccccc2)CC1 ZINC000876874732 736156859 /nfs/dbraw/zinc/15/68/59/736156859.db2.gz JRTDZGBNALXNFH-IBGZPJMESA-N 2 0 358.917 3.001 20 0 FGADRP CC[N@@H+]1CCC[C@H](C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)N(C(=O)OC(C)(C)C)C3)C1 ZINC000876987992 736170619 /nfs/dbraw/zinc/17/06/19/736170619.db2.gz PJUXYHQAESZFHA-XDNAFOTISA-N 2 0 351.535 3.096 20 0 FGADRP CC(C)[NH+]1CCC(CC[NH2+]C[C@H](C)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC000877697583 736707445 /nfs/dbraw/zinc/70/74/45/736707445.db2.gz OJHQRSLTHYBGBN-KRWDZBQOSA-N 2 0 366.571 3.294 20 0 FGADRP CCCC[N@H+](C)CC1CC[NH+](C[C@@H]2CCC3(CCOCC3)CO2)CC1 ZINC000877976911 736751487 /nfs/dbraw/zinc/75/14/87/736751487.db2.gz RPWCLCWCNVYYQY-FQEVSTJZSA-N 2 0 352.563 3.406 20 0 FGADRP CC1CC[NH+](C[C@H]2CCC[N@H+](C[C@@H]3CC4(CO3)CCOCC4)C2)CC1 ZINC000878018395 736758664 /nfs/dbraw/zinc/75/86/64/736758664.db2.gz VTKNJJMWHWEAMZ-UXHICEINSA-N 2 0 350.547 3.016 20 0 FGADRP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](CCCSC(C)(C)C)CC1 ZINC000878118114 736775449 /nfs/dbraw/zinc/77/54/49/736775449.db2.gz FZMQWMGMRLVKCX-UHFFFAOYSA-N 2 0 371.635 3.324 20 0 FGADRP Cc1ccccc1SC[C@H](C)C[NH+]1CCC(N2CC[NH+](C)CC2)CC1 ZINC000879595063 737012085 /nfs/dbraw/zinc/01/20/85/737012085.db2.gz WLYDIWFIGPOUFU-GOSISDBHSA-N 2 0 361.599 3.435 20 0 FGADRP CC(C)C[N@@H+](CC(=O)Nc1c(F)cccc1F)CC1CC[NH+](C)CC1 ZINC000879704283 737035149 /nfs/dbraw/zinc/03/51/49/737035149.db2.gz NJPJNMVYKCFUPS-UHFFFAOYSA-N 2 0 353.457 3.203 20 0 FGADRP Cn1nc2c(c1C[NH2+]CCCCCCC[NH+]1CCCC1)CSCC2 ZINC000882981899 737508562 /nfs/dbraw/zinc/50/85/62/737508562.db2.gz XUVBOFYNUVTLHU-UHFFFAOYSA-N 2 0 350.576 3.345 20 0 FGADRP C[C@H](CCNCc1c2c(nn1C)CCSC2)[N@H+](C)Cc1ccccc1 ZINC000883027109 737513844 /nfs/dbraw/zinc/51/38/44/737513844.db2.gz PDRJBBVDXXKTKP-MRXNPFEDSA-N 2 0 358.555 3.210 20 0 FGADRP COC(=O)N1CCC([C@@H](C)[NH2+]C2CCC(C)([NH+]3CCCC3)CC2)CC1 ZINC000886594135 739273013 /nfs/dbraw/zinc/27/30/13/739273013.db2.gz GODBJUWVXHTDBN-PPDQVPDSSA-N 2 0 351.535 3.240 20 0 FGADRP CC1([NH+]2CCCC2)CCC([NH2+]CC2(S(C)(=O)=O)CCCCC2)CC1 ZINC000886637843 739277949 /nfs/dbraw/zinc/27/79/49/739277949.db2.gz GOYSIJNSUKTDDI-UHFFFAOYSA-N 2 0 356.576 3.121 20 0 FGADRP [NH3+]CCCC[C@@H]([NH2+]CCCN1CCCCC1=O)c1ccc(F)cc1F ZINC000902345857 743734633 /nfs/dbraw/zinc/73/46/33/743734633.db2.gz MTJNHDLAHYTTFE-GOSISDBHSA-N 2 0 353.457 3.127 20 0 FGADRP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]CC3CCC(S(C)(=O)=O)CC3)CC2)C1 ZINC000903156630 743814377 /nfs/dbraw/zinc/81/43/77/743814377.db2.gz WIPQWNLIZNMUJE-BXXUTWAOSA-N 2 0 370.603 3.223 20 0 FGADRP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](C[C@@H]2[C@@H](c3ccccc3)C2(F)F)CC1 ZINC000903458607 743853238 /nfs/dbraw/zinc/85/32/38/743853238.db2.gz FLHZLGRZFDOJFQ-MKXGPGLRSA-N 2 0 350.453 3.254 20 0 FGADRP COC(=O)c1cccc(-c2nc(C[N@@H+]3C[C@@H](C)[C@H](CC[NH3+])C3)cs2)c1 ZINC000903499783 743856286 /nfs/dbraw/zinc/85/62/86/743856286.db2.gz NSJFMTZPWZRESW-CZUORRHYSA-N 2 0 359.495 3.013 20 0 FGADRP C[C@@H]1C[N@H+](Cc2nc(-c3cccc(C(F)(F)F)c3)no2)C[C@H]1CC[NH3+] ZINC000903496697 743856533 /nfs/dbraw/zinc/85/65/33/743856533.db2.gz ZBBAQAITTFCACZ-DGCLKSJQSA-N 2 0 354.376 3.172 20 0 FGADRP Cc1cccc(C[N@@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)c1Br ZINC000903765133 743881665 /nfs/dbraw/zinc/88/16/65/743881665.db2.gz YPVWKDFUVIROFO-UAGQMJEPSA-N 2 0 367.331 3.476 20 0 FGADRP Cc1c(C[C@H](C[NH3+])C[NH2+]CC2(c3ccc(Cl)cc3)CCC2)cnn1C ZINC000903923563 743897725 /nfs/dbraw/zinc/89/77/25/743897725.db2.gz XEYIYKWHKVTNBY-MRXNPFEDSA-N 2 0 360.933 3.211 20 0 FGADRP Cc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]C[C@@H]1C[NH2+]CCC1(F)F ZINC000903957608 743905441 /nfs/dbraw/zinc/90/54/41/743905441.db2.gz RJRHZQQQHGLKCG-STQMWFEESA-N 2 0 359.848 3.200 20 0 FGADRP C[NH+](C)CC1CCC([NH2+][C@@H]2CC[C@H](CNC(=O)OC(C)(C)C)C2)CC1 ZINC000921920036 758819738 /nfs/dbraw/zinc/81/97/38/758819738.db2.gz DMTOEJINNZRXQY-JYSRZZCRSA-N 2 0 353.551 3.390 20 0 FGADRP CSC1(C[NH2+][C@@H]2CC[C@H](CNC(=O)OC(C)(C)C)C2)CC[NH+](C)CC1 ZINC000922138024 758857907 /nfs/dbraw/zinc/85/79/07/758857907.db2.gz GGVZGEIGIZIOOB-JKSUJKDBSA-N 2 0 371.591 3.097 20 0 FGADRP CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1csc(C(F)(F)F)c1)C2 ZINC000922387782 758910687 /nfs/dbraw/zinc/91/06/87/758910687.db2.gz AZHWGYVNEZNSNR-VDERGJSUSA-N 2 0 362.461 3.336 20 0 FGADRP CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3nc(C(C)(C)C)cs3)C2)[C@H]1C(C)C ZINC000922391830 758911734 /nfs/dbraw/zinc/91/17/34/758911734.db2.gz ACUAGDYWBZRLIF-CWLMSFPYSA-N 2 0 365.587 3.400 20 0 FGADRP [NH3+][C@@H]1CCO[C@@H](C2CC[NH+](C[C@@H](O)c3ccc(Cl)cc3Cl)CC2)C1 ZINC000923378358 759108100 /nfs/dbraw/zinc/10/81/00/759108100.db2.gz HMSUAGFOCKLEAH-ZTFGCOKTSA-N 2 0 373.324 3.245 20 0 FGADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@H+](C[C@@H](O)c3ccc(Cl)cc3Cl)C2)C1 ZINC000923389120 759109153 /nfs/dbraw/zinc/10/91/53/759109153.db2.gz TULQCVQQAPDDND-FOZNTRSISA-N 2 0 373.324 3.245 20 0 FGADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2C[C@@H](O)c2ccc(Cl)cc2Cl)C1 ZINC000923391396 759110043 /nfs/dbraw/zinc/11/00/43/759110043.db2.gz FEMXULDOYJNZIR-PILAGYSTSA-N 2 0 373.324 3.388 20 0 FGADRP [NH3+]C[C@@H]1CC2(CO1)CC[NH+](Cc1cc(-c3ccc(Cl)cc3)no1)CC2 ZINC000923455379 759121632 /nfs/dbraw/zinc/12/16/32/759121632.db2.gz TXXPJGGEVMUJKU-KRWDZBQOSA-N 2 0 361.873 3.325 20 0 FGADRP C[C@H]([NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1cccc(Br)n1 ZINC000925440379 759488789 /nfs/dbraw/zinc/48/87/89/759488789.db2.gz RDYABJFKOZIJSM-ZNMIVQPWSA-N 2 0 370.335 3.384 20 0 FGADRP C[C@H]1[C@H]2CC[C@@H](C[C@H]1[NH2+]C1CCN(c3nc4ccccc4s3)CC1)[NH2+]2 ZINC000925587355 759510160 /nfs/dbraw/zinc/51/01/60/759510160.db2.gz XTZUJQORCPOBCY-KMANFZQXSA-N 2 0 356.539 3.384 20 0 FGADRP C[C@@H]([NH3+])[C@@H](NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1)c1ccccc1 ZINC000925660766 759519889 /nfs/dbraw/zinc/51/98/89/759519889.db2.gz ANKXQHUYXBNWAK-HELAGCTPSA-N 2 0 355.448 3.470 20 0 FGADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]Cc1ccc2ccc(Br)cc2c1 ZINC000925732473 759527180 /nfs/dbraw/zinc/52/71/80/759527180.db2.gz BRPBPWKAVVYAII-JBBXEZCESA-N 2 0 363.299 3.444 20 0 FGADRP [NH3+]C1C[C@H]2CCC[C@@H](C1)C2[NH2+]Cc1nc(C(F)(F)F)n2c1CCCC2 ZINC000925726298 759527354 /nfs/dbraw/zinc/52/73/54/759527354.db2.gz HUCOIFSIYZBBCF-ZAQWFSBCSA-N 2 0 356.436 3.234 20 0 FGADRP Cc1nc(-c2ccccc2F)sc1[C@@H](C)[NH2+]CCN1CCC([NH3+])CC1 ZINC000925810401 759548137 /nfs/dbraw/zinc/54/81/37/759548137.db2.gz NEFKRYKNIURCOJ-CYBMUJFWSA-N 2 0 362.518 3.331 20 0 FGADRP [NH3+]C1CCN(CC[NH2+][C@@H]2CCCOc3c(Cl)c(Cl)ccc32)CC1 ZINC000925814146 759549631 /nfs/dbraw/zinc/54/96/31/759549631.db2.gz GWTPCUCETBFYKK-OAHLLOKOSA-N 2 0 358.313 3.220 20 0 FGADRP O=C1O[C@@H](C[NH2+][C@H]2CCCCc3ccc(Cl)cc32)CC12CC[NH2+]CC2 ZINC000925854890 759559463 /nfs/dbraw/zinc/55/94/63/759559463.db2.gz SQGZFXPMRQINDB-AEFFLSMTSA-N 2 0 362.901 3.382 20 0 FGADRP CC(C)[C@@H]([NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ccc(Cl)cc1F ZINC000925856371 759560659 /nfs/dbraw/zinc/56/06/59/759560659.db2.gz NNROULCSXNGHAO-WMLDXEAASA-N 2 0 368.880 3.451 20 0 FGADRP O[C@H]1CC[N@H+](Cc2ccc(C[NH2+][C@H]3CCc4c3nccc4Cl)cc2)C1 ZINC000926688620 759802782 /nfs/dbraw/zinc/80/27/82/759802782.db2.gz GCSMPQZPONHGPR-LPHOPBHVSA-N 2 0 357.885 3.079 20 0 FGADRP C[C@@H]([NH2+]CCc1ccccc1S(C)(=O)=O)c1cccc(C[NH+](C)C)c1 ZINC000926906647 759842011 /nfs/dbraw/zinc/84/20/11/759842011.db2.gz XWNPEBVLZATCQS-MRXNPFEDSA-N 2 0 360.523 3.045 20 0 FGADRP C[C@@H]1[C@H](C(=O)N2C[C@@H]([NH2+]Cc3ccc(Cl)s3)C(C)(C)C2)CC[N@@H+]1C ZINC000995828432 764970293 /nfs/dbraw/zinc/97/02/93/764970293.db2.gz XZLLSCCOFLQUMF-BPLDGKMQSA-N 2 0 369.962 3.068 20 0 FGADRP C[C@@H]1[C@H](C(=O)N2C[C@H]([NH2+]Cc3ccccc3Cl)C(C)(C)C2)CC[N@@H+]1C ZINC000995828604 764970348 /nfs/dbraw/zinc/97/03/48/764970348.db2.gz ZPQIBRIKJBGHLA-KYJSFNMBSA-N 2 0 363.933 3.007 20 0 FGADRP C[C@@H]1[C@H](C(=O)NC[C@H]2CCC[NH+](Cc3ccc(Cl)cc3)C2)CC[N@@H+]1C ZINC001023377504 766036345 /nfs/dbraw/zinc/03/63/45/766036345.db2.gz ODVWYAGNEJGQEJ-SZVBFZGTSA-N 2 0 363.933 3.008 20 0 FGADRP C[C@@H]1[C@H](C(=O)N[C@H]2CC[C@H]([NH2+]Cc3sccc3Cl)CC2)CC[N@@H+]1C ZINC001034647264 766243132 /nfs/dbraw/zinc/24/31/32/766243132.db2.gz BTULLGFGWADBJW-KBUPBQIOSA-N 2 0 369.962 3.259 20 0 FGADRP Cc1ccc(C[NH2+]C[C@@H]2CCCN2C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c(Cl)c1 ZINC001045043557 766504341 /nfs/dbraw/zinc/50/43/41/766504341.db2.gz HTFBWHQBGKAJBU-BPQIPLTHSA-N 2 0 363.933 3.069 20 0 FGADRP C(CC[NH+]1CCCO[C@@H]2CCC[C@@H]21)CC[N@@H+]1CCCO[C@@H]2CCC[C@@H]21 ZINC000359870137 210191144 /nfs/dbraw/zinc/19/11/44/210191144.db2.gz LMWCVYULDMBYGC-UWHLTILDSA-N 2 0 350.547 3.444 20 0 FGADRP C[C@@H](CCc1ccc(I)cc1)[NH2+]CC1=CC[NH2+]CC1 ZINC000423353271 500366525 /nfs/dbraw/zinc/36/65/25/500366525.db2.gz LLZXCMASHYKPBZ-ZDUSSCGKSA-N 2 0 370.278 3.122 20 0 FGADRP COc1ccc(C[NH+]2CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)c(F)c1 ZINC000568031331 505599907 /nfs/dbraw/zinc/59/99/07/505599907.db2.gz UQCPQPMWOCDPAT-HZPDHXFCSA-N 2 0 350.478 3.156 20 0 FGADRP Cc1ccccc1[C@H]([NH3+])C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000571041293 505639807 /nfs/dbraw/zinc/63/98/07/505639807.db2.gz HBDCZNWEOQZDTP-NRFANRHFSA-N 2 0 351.494 3.297 20 0 FGADRP C[NH2+]Cc1cccc(NC(=O)N2CC[C@@H]([N@H+](C)CCc3ccccc3)C2)c1 ZINC000568282233 505658611 /nfs/dbraw/zinc/65/86/11/505658611.db2.gz RYNGBLOYOJUYDY-OAQYLSRUSA-N 2 0 366.509 3.187 20 0 FGADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2ccc(-c3cnn(C)c3)s2)C1 ZINC000577078967 505660123 /nfs/dbraw/zinc/66/01/23/505660123.db2.gz SOGNGTFTLRCHMQ-QGZVFWFLSA-N 2 0 362.543 3.081 20 0 FGADRP OCCCSCC[NH2+][C@@H]1CCCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000573987893 505667056 /nfs/dbraw/zinc/66/70/56/505667056.db2.gz JKAJDYUSQSXZFG-NJDAHSKKSA-N 2 0 362.583 3.382 20 0 FGADRP CCC[N@H+](CC)C[C@H](C)NC(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000577115387 505667313 /nfs/dbraw/zinc/66/73/13/505667313.db2.gz PXNUADLYIXFGPH-ICSRJNTNSA-N 2 0 360.546 3.243 20 0 FGADRP C[C@H]1C[C@@H](CC[NH2+]CCC(=O)Nc2cccnc2)C[N@@H+]1Cc1ccccc1 ZINC000571158778 505668117 /nfs/dbraw/zinc/66/81/17/505668117.db2.gz WQIIBSJJSBKQKI-AZUAARDMSA-N 2 0 366.509 3.301 20 0 FGADRP c1nc(-c2ccccc2)sc1C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000075937873 493796969 /nfs/dbraw/zinc/79/69/69/493796969.db2.gz BOCFLDQDMDTGHX-UHFFFAOYSA-N 2 0 357.523 3.354 20 0 FGADRP O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000068366732 493805866 /nfs/dbraw/zinc/80/58/66/493805866.db2.gz OVSLDMGQBGMQHB-JOCHJYFZSA-N 2 0 363.505 3.287 20 0 FGADRP C[N@H+](C[C@H](O)COc1ccc(F)cc1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076109781 493824675 /nfs/dbraw/zinc/82/46/75/493824675.db2.gz NSCDVPQRLVXZPM-FPOVZHCZSA-N 2 0 372.484 3.019 20 0 FGADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)NC[C@H](C)[NH+]1CCC[C@H](C)C1 ZINC000048828858 493848530 /nfs/dbraw/zinc/84/85/30/493848530.db2.gz ZPHKMPXUDYLLPC-OALUTQOASA-N 2 0 374.573 3.446 20 0 FGADRP Ic1ccc(C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000568395131 505684853 /nfs/dbraw/zinc/68/48/53/505684853.db2.gz STUTUPYQFOCGGY-GJZGRUSLSA-N 2 0 370.278 3.113 20 0 FGADRP C[NH+](C)[C@@H](CNC(=O)c1cccc(C[NH+]2CCCC2)c1)c1cccs1 ZINC000050024748 493891865 /nfs/dbraw/zinc/89/18/65/493891865.db2.gz PZLAHBBGIWECIS-SFHVURJKSA-N 2 0 357.523 3.377 20 0 FGADRP C[C@H]1CCCN(Cc2csc(NC(=O)c3ccccc3CC[NH3+])n2)C1 ZINC000568407308 505687520 /nfs/dbraw/zinc/68/75/20/505687520.db2.gz JPFRANUJLMLJPC-AWEZNQCLSA-N 2 0 358.511 3.129 20 0 FGADRP CC(C)Oc1ccccc1C[NH2+]CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000060833574 493955785 /nfs/dbraw/zinc/95/57/85/493955785.db2.gz BKXRXGGMVCOYIP-UHFFFAOYSA-N 2 0 367.537 3.381 20 0 FGADRP C[NH+](C)CCNC(=O)c1ccc(C[NH2+]Cc2cnc(C(C)(C)C)s2)cc1 ZINC000076893917 493985488 /nfs/dbraw/zinc/98/54/88/493985488.db2.gz HXNWMLACTSWRIM-UHFFFAOYSA-N 2 0 374.554 3.022 20 0 FGADRP C[C@@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+]CC1(C)CC[NH2+]CC1 ZINC000580168618 505694075 /nfs/dbraw/zinc/69/40/75/505694075.db2.gz UUUNPGNFLCKSLI-ZDUSSCGKSA-N 2 0 357.420 3.402 20 0 FGADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000070450660 494044805 /nfs/dbraw/zinc/04/48/05/494044805.db2.gz AYCNWQDPVQKJFL-NHCUHLMSSA-N 2 0 357.542 3.135 20 0 FGADRP OCC[C@H]1CCCC[NH+]1Cc1ccc(C[N@H+]2CCCC[C@@H]2CCO)cc1 ZINC000070950144 494073482 /nfs/dbraw/zinc/07/34/82/494073482.db2.gz GAAMHSIVOXEZCN-FGZHOGPDSA-N 2 0 360.542 3.160 20 0 FGADRP C[C@H](NC(=O)NCc1ccccc1C[NH+]1CCCC1)C(C)(C)C[NH+](C)C ZINC000085358295 494115797 /nfs/dbraw/zinc/11/57/97/494115797.db2.gz BSHSCBINPFCCCS-KRWDZBQOSA-N 2 0 360.546 3.058 20 0 FGADRP CC(C)CO[C@H](C)c1noc(CN(C)Cc2ccc3c(c2)C[NH2+]CC3)n1 ZINC000577286801 505700835 /nfs/dbraw/zinc/70/08/35/505700835.db2.gz QRAOIVARNHKOQV-OAHLLOKOSA-N 2 0 358.486 3.081 20 0 FGADRP Cc1ccc([C@H](CNC(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)[NH+]2CCCC2)cc1 ZINC000085400889 494120470 /nfs/dbraw/zinc/12/04/70/494120470.db2.gz YNHUBPCPPRHFJE-TYPHKJRUSA-N 2 0 372.557 3.114 20 0 FGADRP C[C@H]([NH2+]C(C)(C)CNC(=O)N(C)[C@H]1CC[N@H+](C)C[C@H]1C)c1ccccc1 ZINC000085404743 494122001 /nfs/dbraw/zinc/12/20/01/494122001.db2.gz JEVRMHAFOLPCCE-AOIWGVFYSA-N 2 0 360.546 3.097 20 0 FGADRP CCC1CC[NH+]([C@@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000053379290 494123951 /nfs/dbraw/zinc/12/39/51/494123951.db2.gz UGFUTDVNOLZOPM-SFHVURJKSA-N 2 0 357.542 3.278 20 0 FGADRP CC(C)Oc1ccc(C[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cn1 ZINC000571312779 505704457 /nfs/dbraw/zinc/70/44/57/505704457.db2.gz BNVWKERGZKODKI-NQIIRXRSSA-N 2 0 353.466 3.214 20 0 FGADRP Cc1cc(C[NH3+])cc(NC(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2)c1 ZINC000571313485 505704574 /nfs/dbraw/zinc/70/45/74/505704574.db2.gz CGHSYTPEXQYWJU-HXUWFJFHSA-N 2 0 352.482 3.240 20 0 FGADRP Cc1ccc([C@H](CNC(=O)NCCCC[N@H+]2CCC[C@@H](C)C2)[NH+](C)C)cc1 ZINC000065469729 494201631 /nfs/dbraw/zinc/20/16/31/494201631.db2.gz DUTDSLFGRPKKTN-CTNGQTDRSA-N 2 0 374.573 3.409 20 0 FGADRP C[NH+](C)CCN(Cc1ccco1)C(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000088250401 494220760 /nfs/dbraw/zinc/22/07/60/494220760.db2.gz OWJYKLLRUIDATO-HXUWFJFHSA-N 2 0 369.509 3.082 20 0 FGADRP O=C(C[NH+]1CCC(CCc2ccccc2)CC1)NC1CC[NH+](C2CC2)CC1 ZINC000042569460 494227480 /nfs/dbraw/zinc/22/74/80/494227480.db2.gz WNBJLLWGFFFNAP-UHFFFAOYSA-N 2 0 369.553 3.074 20 0 FGADRP CCC[N@@H+]1CC[C@H](CNC(=O)NCc2ccccc2C[NH+](C)C(C)C)C1 ZINC000054511401 494243366 /nfs/dbraw/zinc/24/33/66/494243366.db2.gz GYRIYQBKRIGDFN-GOSISDBHSA-N 2 0 360.546 3.058 20 0 FGADRP C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)C1 ZINC000042910795 494251766 /nfs/dbraw/zinc/25/17/66/494251766.db2.gz LKICGZJKZOPQPR-IRXDYDNUSA-N 2 0 366.594 3.353 20 0 FGADRP COc1cccc([C@H]2[C@H]([NH2+]CCN3CCC(C)CC3)CCN2C2CC2)c1 ZINC000568486875 505706694 /nfs/dbraw/zinc/70/66/94/505706694.db2.gz LXYHQIYKXXFDNI-YADHBBJMSA-N 2 0 357.542 3.295 20 0 FGADRP Cc1ccccc1[C@@H]([NH3+])C(=O)N1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000574154193 505706779 /nfs/dbraw/zinc/70/67/79/505706779.db2.gz WECVROHPIBQOTP-JOCHJYFZSA-N 2 0 365.521 3.365 20 0 FGADRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)C1 ZINC000054805502 494273330 /nfs/dbraw/zinc/27/33/30/494273330.db2.gz LBGOCPCGSTYASR-OAHLLOKOSA-N 2 0 352.567 3.105 20 0 FGADRP CCC[NH+]1CCC(N(C)C(=O)NCC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000066187966 494285864 /nfs/dbraw/zinc/28/58/64/494285864.db2.gz RAOVEMBGTNTGQY-QZTJIDSGSA-N 2 0 366.594 3.259 20 0 FGADRP CCC[NH+]1CCC(N(C)C(=O)NC[C@H](c2ccc(C)cc2)[NH+](C)C)CC1 ZINC000066190505 494287060 /nfs/dbraw/zinc/28/70/60/494287060.db2.gz XTUYXRUWMHYBGE-HXUWFJFHSA-N 2 0 360.546 3.114 20 0 FGADRP CCC[NH+]1CCC(NC(=O)NC[C@@H](C(CC)CC)[NH+]2CCCC2)CC1 ZINC000073594599 494395782 /nfs/dbraw/zinc/39/57/82/494395782.db2.gz FZQXYIYELXKWCF-IBGZPJMESA-N 2 0 352.567 3.061 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)NCCC[NH+]1CCCC1 ZINC000045121402 494399791 /nfs/dbraw/zinc/39/97/91/494399791.db2.gz WJZLKRJGHHWVLB-LJQANCHMSA-N 2 0 372.557 3.346 20 0 FGADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)NCCC[NH+](C)C2CCCCC2)C1 ZINC000073661121 494408811 /nfs/dbraw/zinc/40/88/11/494408811.db2.gz POMGQZWTHGJJPX-SFHVURJKSA-N 2 0 352.567 3.014 20 0 FGADRP CC(C)[NH+](Cc1cncc(C[N@@H+](C(C)C)[C@@H]2CCOC2)c1)[C@H]1CCOC1 ZINC000580277819 505720497 /nfs/dbraw/zinc/72/04/97/505720497.db2.gz BEYQVRMQOKNKSG-OYRHEFFESA-N 2 0 361.530 3.080 20 0 FGADRP O=C(NCc1cccc(C[NH+]2CCCC2)c1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000079198742 494418248 /nfs/dbraw/zinc/41/82/48/494418248.db2.gz AKFMWTONTSQOSI-OAQYLSRUSA-N 2 0 370.541 3.052 20 0 FGADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]CCOc1ncc(C(F)(F)F)cc1Cl ZINC000090082475 494438474 /nfs/dbraw/zinc/43/84/74/494438474.db2.gz NFGYMHNZSRUJIQ-JTNHKYCSSA-N 2 0 365.827 3.451 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)NCCC1CC[NH+](CC)CC1)c1ccco1 ZINC000073898219 494445503 /nfs/dbraw/zinc/44/55/03/494445503.db2.gz LNQLQEVDFQOCTC-GOSISDBHSA-N 2 0 364.534 3.084 20 0 FGADRP O[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]C2CCN(c3ccccc3)CC2)CC1 ZINC000090525686 494478456 /nfs/dbraw/zinc/47/84/56/494478456.db2.gz OCCANPHYLOWMAF-VXKWHMMOSA-N 2 0 357.542 3.013 20 0 FGADRP Cc1csc(N2CCC([NH2+]C[C@@H]3CCC[N@@H+](CC(C)C)C3)CC2)n1 ZINC000090585776 494484548 /nfs/dbraw/zinc/48/45/48/494484548.db2.gz HGCCSZQZDQFGHP-KRWDZBQOSA-N 2 0 350.576 3.378 20 0 FGADRP CC[NH+](CC)Cc1ccc(C(=O)N2CC[C@H](C[N@H+](C)CC3CC3)C2)cc1 ZINC000074322856 494518473 /nfs/dbraw/zinc/51/84/73/494518473.db2.gz UFDKPNIVLSEZNQ-HXUWFJFHSA-N 2 0 357.542 3.332 20 0 FGADRP CN(Cc1ccc(Cl)s1)C(=O)C[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000056524976 494520467 /nfs/dbraw/zinc/52/04/67/494520467.db2.gz KXSIOXZECYAQQG-UHFFFAOYSA-N 2 0 357.951 3.024 20 0 FGADRP CC[N@H+](CCNC(=O)N1CCC(C[NH+](C)Cc2ccccc2)CC1)C(C)C ZINC000067420380 494538344 /nfs/dbraw/zinc/53/83/44/494538344.db2.gz JVVSTDPVOLVYOO-UHFFFAOYSA-N 2 0 374.573 3.270 20 0 FGADRP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000079974942 494561698 /nfs/dbraw/zinc/56/16/98/494561698.db2.gz SDASQPKPESSXBF-GOSISDBHSA-N 2 0 360.546 3.058 20 0 FGADRP C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000056786276 494562427 /nfs/dbraw/zinc/56/24/27/494562427.db2.gz KPVOKPCVMZSCFA-RBUKOAKNSA-N 2 0 372.557 3.202 20 0 FGADRP CCCC[N@H+](C)CC1CCN(C(=O)N[C@H](C)C[NH+]2CCCCC2)CC1 ZINC000079985164 494562565 /nfs/dbraw/zinc/56/25/65/494562565.db2.gz OLUSFYSPNUSQCI-GOSISDBHSA-N 2 0 352.567 3.014 20 0 FGADRP Cc1ccc(NC(=O)CC2([NH+]3CCOCC3)CCCC2)c(C[NH+](C)C)c1 ZINC000074677795 494575715 /nfs/dbraw/zinc/57/57/15/494575715.db2.gz CUYFKLWJPIDHJG-UHFFFAOYSA-N 2 0 359.514 3.030 20 0 FGADRP CC(C)[C@@H]([NH2+]CCN1CC[NH+](Cc2ccccc2)CC1)c1cccnc1 ZINC000091265345 494576326 /nfs/dbraw/zinc/57/63/26/494576326.db2.gz PQRYASDOMQLIPA-JOCHJYFZSA-N 2 0 352.526 3.186 20 0 FGADRP [NH3+]C1CCC(OCC(=O)Nc2ccc(C[NH+]3CCCCCC3)cc2)CC1 ZINC000580307998 505729137 /nfs/dbraw/zinc/72/91/37/505729137.db2.gz MXSFJSXGNHBIOW-UHFFFAOYSA-N 2 0 359.514 3.288 20 0 FGADRP CC(C)[N@H+](C)CC1CCN(C(=O)NC[C@@H](C2CCCCC2)[NH+](C)C)CC1 ZINC000056864301 494579063 /nfs/dbraw/zinc/57/90/63/494579063.db2.gz FPNBGZZPDUGOCZ-FQEVSTJZSA-N 2 0 366.594 3.259 20 0 FGADRP C[C@@H](NC(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1)C(C)(C)C[NH+](C)C ZINC000121070437 494580396 /nfs/dbraw/zinc/58/03/96/494580396.db2.gz YUUTYWKNBKHLOM-MOPGFXCFSA-N 2 0 366.594 3.116 20 0 FGADRP CC[NH+](CC)[C@H](C)CNC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000080072081 494585045 /nfs/dbraw/zinc/58/50/45/494585045.db2.gz HDSLNCVXMCLCNU-GGPKGHCWSA-N 2 0 360.546 3.069 20 0 FGADRP C[C@H](C[NH2+][C@@H]1CCc2c1ccc(Cl)c2Cl)CN1CC[NH+](C)CC1 ZINC000121083757 494587670 /nfs/dbraw/zinc/58/76/70/494587670.db2.gz FVHNMYDESPOZNX-CXAGYDPISA-N 2 0 356.341 3.454 20 0 FGADRP C[C@H](C[NH2+][C@H](C)c1cccc(-c2ccncc2)c1)CN1CC[NH+](C)CC1 ZINC000121091422 494592297 /nfs/dbraw/zinc/59/22/97/494592297.db2.gz HJDXINPWXAOTSR-RTBURBONSA-N 2 0 352.526 3.283 20 0 FGADRP C[C@H](CNC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)C[NH+]1CCCC1 ZINC000080095236 494592640 /nfs/dbraw/zinc/59/26/40/494592640.db2.gz MAOMGJMXDRQQDL-SFHLNBCPSA-N 2 0 372.557 3.071 20 0 FGADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)C1 ZINC000107833849 494609087 /nfs/dbraw/zinc/60/90/87/494609087.db2.gz CUHLVYAZQNQREL-UXHICEINSA-N 2 0 364.578 3.158 20 0 FGADRP COc1cccc(C[C@H]([NH2+]CCCC[NH+]2C[C@H](C)O[C@@H](C)C2)C2CC2)c1 ZINC000121185555 494636604 /nfs/dbraw/zinc/63/66/04/494636604.db2.gz XSAJZDIRZAMSAE-SPEDKVCISA-N 2 0 360.542 3.495 20 0 FGADRP CC1(C)CC(NC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC(C)(C)[NH2+]1 ZINC000057152605 494657625 /nfs/dbraw/zinc/65/76/25/494657625.db2.gz WAYFGNXGWQHPTA-GOSISDBHSA-N 2 0 357.542 3.324 20 0 FGADRP CC[NH+](CC)CCOC1CC[NH+](Cc2cc(F)cc3c2OCOC3)CC1 ZINC000075007510 494671740 /nfs/dbraw/zinc/67/17/40/494671740.db2.gz QDARGOGHBPKMGJ-UHFFFAOYSA-N 2 0 366.477 3.015 20 0 FGADRP CC[NH+]1CCN(Cc2ccccc2C[NH2+][C@@H](C)c2cccc(CO)c2)CC1 ZINC000121268792 494676023 /nfs/dbraw/zinc/67/60/23/494676023.db2.gz KTPLBNZSPPBVPE-IBGZPJMESA-N 2 0 367.537 3.167 20 0 FGADRP C[NH+](C)Cc1c2ccccc2oc1C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000075163077 494700510 /nfs/dbraw/zinc/70/05/10/494700510.db2.gz FRAFXZAHANHILF-MQVJKMGUSA-N 2 0 355.482 3.240 20 0 FGADRP C[C@@H]1CCCC[C@H]1CC(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000577483183 505737290 /nfs/dbraw/zinc/73/72/90/505737290.db2.gz VIIMYPFBKZYMJP-QUCCMNQESA-N 2 0 357.542 3.313 20 0 FGADRP C[C@H](C(=O)N1CCCCC1)[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821113 494762706 /nfs/dbraw/zinc/76/27/06/494762706.db2.gz ZZTCNOVEFHJQQH-GOSISDBHSA-N 2 0 358.530 3.021 20 0 FGADRP C[C@@H]1CCCC[C@H]1NC(=O)C[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821426 494764712 /nfs/dbraw/zinc/76/47/12/494764712.db2.gz XXMNYDXYYOAGFV-WIYYLYMNSA-N 2 0 372.557 3.315 20 0 FGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCc1ccccc1C[NH+]1CCC[C@H](C)C1 ZINC000116431711 494785487 /nfs/dbraw/zinc/78/54/87/494785487.db2.gz VNQWODYAWSZSLC-RXVVDRJESA-N 2 0 357.542 3.409 20 0 FGADRP CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000132051095 494808294 /nfs/dbraw/zinc/80/82/94/494808294.db2.gz TYUTXEOLOMKLRP-SFHVURJKSA-N 2 0 352.567 3.059 20 0 FGADRP Cc1cc(Cl)c2c(c1)[C@@H]([NH2+]CC1CC[NH+](CCO)CC1)CCCO2 ZINC000126671146 494816162 /nfs/dbraw/zinc/81/61/62/494816162.db2.gz NUHBTCSCBQTKME-SFHVURJKSA-N 2 0 352.906 3.156 20 0 FGADRP C[C@H](C(=O)N1CCSc2ccccc21)[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000121605768 494818930 /nfs/dbraw/zinc/81/89/30/494818930.db2.gz PHXGTNKXTWDMSR-MRXNPFEDSA-N 2 0 361.555 3.178 20 0 FGADRP C[N@@H+]1CCC[C@H](CNC(=O)c2ccccc2CC[NH3+])[C@H]1c1cccs1 ZINC000577525878 505744734 /nfs/dbraw/zinc/74/47/34/505744734.db2.gz NZSVDSIBWZJSLT-APWZRJJASA-N 2 0 357.523 3.062 20 0 FGADRP C[C@@H]([NH2+][C@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1)c1cccc(CO)c1 ZINC000121699760 494841325 /nfs/dbraw/zinc/84/13/25/494841325.db2.gz SACSNVLXUDUYSK-IAGOWNOFSA-N 2 0 371.500 3.482 20 0 FGADRP C[C@H](NC(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@H](c1ccccc1)[NH+](C)C ZINC000577529619 505746272 /nfs/dbraw/zinc/74/62/72/505746272.db2.gz VVKKRZINDWQVQI-YUXAGFNASA-N 2 0 365.521 3.316 20 0 FGADRP CC(C)[C@@H](C[NH2+][C@H](C)c1ccccc1OC(F)F)N1CC[NH+](C)CC1 ZINC000132337541 494859000 /nfs/dbraw/zinc/85/90/00/494859000.db2.gz NGHDXWCAKSFIGQ-NVXWUHKLSA-N 2 0 355.473 3.211 20 0 FGADRP Cc1cccc2nc(C[NH+]3CCC(CCC[NH+]4CCCC4)CC3)cc(=O)n12 ZINC000121778784 494859004 /nfs/dbraw/zinc/85/90/04/494859004.db2.gz XLZRVZMHQYCQSR-UHFFFAOYSA-N 2 0 368.525 3.091 20 0 FGADRP O[C@H](Cc1ccccc1C(F)(F)F)C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000132363696 494862297 /nfs/dbraw/zinc/86/22/97/494862297.db2.gz ZMNQFHPHISFISD-GOSISDBHSA-N 2 0 370.459 3.417 20 0 FGADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H]2CCCOc3cc4c(cc32)CCC4)CC1 ZINC000121914966 494888447 /nfs/dbraw/zinc/88/84/47/494888447.db2.gz IRGVKYJLCKMMGY-UTKZUKDTSA-N 2 0 357.542 3.005 20 0 FGADRP CC(C)[N@H+](C)CCNC(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000127306455 494925874 /nfs/dbraw/zinc/92/58/74/494925874.db2.gz QELHJKFWMDIREL-UHFFFAOYSA-N 2 0 362.518 3.013 20 0 FGADRP CCc1ncc(C[NH+]2CCC(CC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)s1 ZINC000093844176 494927026 /nfs/dbraw/zinc/92/70/26/494927026.db2.gz IEJNNTBGZGXSRS-HZPDHXFCSA-N 2 0 351.560 3.417 20 0 FGADRP Cc1ccccc1C[NH+]1CCC(NC(=O)[C@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000122333312 494959585 /nfs/dbraw/zinc/95/95/85/494959585.db2.gz OMSPRCKNDICELG-OTWHNJEPSA-N 2 0 357.542 3.337 20 0 FGADRP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]CCc1nc(C(C)(C)C)cs1 ZINC000133409397 495010515 /nfs/dbraw/zinc/01/05/15/495010515.db2.gz ASOWUEZBYLUNNQ-IKGGRYGDSA-N 2 0 365.587 3.462 20 0 FGADRP C[C@H](C[NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)c1ccc(F)cc1 ZINC000127950220 495021502 /nfs/dbraw/zinc/02/15/02/495021502.db2.gz WPCTYDDTJJESKU-MRXNPFEDSA-N 2 0 357.473 3.010 20 0 FGADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+]C[C@H](O)Cc2ccc(C(F)(F)F)cc2)C1 ZINC000571551442 505759796 /nfs/dbraw/zinc/75/97/96/505759796.db2.gz MXNGRDIKADRQCO-SJLPKXTDSA-N 2 0 358.448 3.319 20 0 FGADRP C[NH+](C)CCCC1CC[NH+](CC(=O)N[C@@H](c2ccccc2)C2CC2)CC1 ZINC000123444542 495133166 /nfs/dbraw/zinc/13/31/66/495133166.db2.gz QXWBTKWIXBSCFF-QFIPXVFZSA-N 2 0 357.542 3.308 20 0 FGADRP Cc1ccccc1C[C@H](C)NC(=O)C[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123496909 495141179 /nfs/dbraw/zinc/14/11/79/495141179.db2.gz PLDQBZASQVUHQC-IBGZPJMESA-N 2 0 359.558 3.096 20 0 FGADRP C[NH+](C)CCNC(=O)c1ccc(C[NH2+]C2CCC(C(F)(F)F)CC2)cc1 ZINC000123532400 495147787 /nfs/dbraw/zinc/14/77/87/495147787.db2.gz VKMFJCYHXCINOS-UHFFFAOYSA-N 2 0 371.447 3.189 20 0 FGADRP C[C@@H]1C[C@@H](C)C[NH+](CCCC[NH2+]C[C@H](O)COc2ccccc2Cl)C1 ZINC000568740505 505766686 /nfs/dbraw/zinc/76/66/86/505766686.db2.gz FZFWMLUYWAOFAS-KURKYZTESA-N 2 0 368.949 3.427 20 0 FGADRP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)N(C)CC[NH+]1CCCC1 ZINC000112742439 495233886 /nfs/dbraw/zinc/23/38/86/495233886.db2.gz HHSZXXIYZISYJE-IBGZPJMESA-N 2 0 372.557 3.298 20 0 FGADRP CC[C@@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)c1ccc(OC)c(OC)c1 ZINC000124404024 495282132 /nfs/dbraw/zinc/28/21/32/495282132.db2.gz BHKYVUBAEZZKFH-LJQANCHMSA-N 2 0 363.546 3.018 20 0 FGADRP Cc1cc2c(cc1C)[C@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)CCCO2 ZINC000124453052 495290192 /nfs/dbraw/zinc/29/01/92/495290192.db2.gz GAMJLIHRQZCUAW-OAQYLSRUSA-N 2 0 359.558 3.380 20 0 FGADRP CC(C)[NH+]1CCC(NC(=O)NCC(C)(C)[NH2+][C@H](C)c2ccccc2)CC1 ZINC000113579182 495317148 /nfs/dbraw/zinc/31/71/48/495317148.db2.gz POBUVJQILVTQIW-QGZVFWFLSA-N 2 0 360.546 3.288 20 0 FGADRP CCCn1ccc2ccc(NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc21 ZINC000120161414 495318773 /nfs/dbraw/zinc/31/87/73/495318773.db2.gz WMOWBGYADDZRFV-UHFFFAOYSA-N 2 0 359.518 3.008 20 0 FGADRP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@H](c3ccc(Cl)cc3)C2)CC1 ZINC000114457101 495376536 /nfs/dbraw/zinc/37/65/36/495376536.db2.gz GMVPRQFZNMTLCT-KRWDZBQOSA-N 2 0 363.933 3.118 20 0 FGADRP O[C@H]1CC[N@H+](Cc2ccccc2C[NH2+][C@H]2CCC[C@@H](C(F)(F)F)C2)C1 ZINC000130372987 495382544 /nfs/dbraw/zinc/38/25/44/495382544.db2.gz SCLRCRBVANOLMM-SQNIBIBYSA-N 2 0 356.432 3.464 20 0 FGADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC[C@H](CNC(=O)Nc2cccc(F)c2)C1 ZINC000125117243 495393566 /nfs/dbraw/zinc/39/35/66/495393566.db2.gz ORWSHANNEACSCJ-VQIMIIECSA-N 2 0 362.493 3.144 20 0 FGADRP C[NH+](C)[C@@H](CNC(=O)NCCC[N@@H+](C)Cc1ccccc1)c1ccsc1 ZINC000105896277 495394304 /nfs/dbraw/zinc/39/43/04/495394304.db2.gz RNTDWPURRCRGOR-IBGZPJMESA-N 2 0 374.554 3.172 20 0 FGADRP C[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)c1cnc2ccsc2c1 ZINC000130520662 495405067 /nfs/dbraw/zinc/40/50/67/495405067.db2.gz VONKDEXYHFFSOI-HNNXBMFYSA-N 2 0 367.522 3.294 20 0 FGADRP C[NH+]1CCC(CC[NH2+]C2CCN(C(=O)c3ccccc3Cl)CC2)CC1 ZINC000125286078 495419783 /nfs/dbraw/zinc/41/97/83/495419783.db2.gz HLVFYPIBUZIJJU-UHFFFAOYSA-N 2 0 363.933 3.266 20 0 FGADRP CC[N@H+](C)Cc1cccc(CNC(=O)NCc2ccc(C[NH+](C)C)cc2)c1 ZINC000130768337 495442144 /nfs/dbraw/zinc/44/21/44/495442144.db2.gz FYPMLDJDGUSILX-UHFFFAOYSA-N 2 0 368.525 3.199 20 0 FGADRP CCOc1ccc(NC(=O)CC[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc1 ZINC000137568504 495445556 /nfs/dbraw/zinc/44/55/56/495445556.db2.gz HZUBGSZVXZYCCT-IBGZPJMESA-N 2 0 359.514 3.364 20 0 FGADRP CC(C)[NH+]1CCC(Nc2cc(NC3CC[NH+](C(C)C)CC3)ncn2)CC1 ZINC000120745777 495449046 /nfs/dbraw/zinc/44/90/46/495449046.db2.gz BTXSWFTZTOZCBL-UHFFFAOYSA-N 2 0 360.550 3.046 20 0 FGADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)C1 ZINC000130830455 495453268 /nfs/dbraw/zinc/45/32/68/495453268.db2.gz JXHLZIWXHWIHDC-WOJBJXKFSA-N 2 0 364.578 3.014 20 0 FGADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)CCCOc2ccccc2C(N)=O)C1 ZINC000138411533 495461692 /nfs/dbraw/zinc/46/16/92/495461692.db2.gz ZHJDCQIUYJCQJK-ROUUACIJSA-N 2 0 361.530 3.043 20 0 FGADRP C[C@@H](C[NH2+][C@@H](Cc1ccccc1)c1ccccc1)CN1CC[NH+](C)CC1 ZINC000120846459 495470452 /nfs/dbraw/zinc/47/04/52/495470452.db2.gz WQGQKIHOOACWKO-REWPJTCUSA-N 2 0 351.538 3.444 20 0 FGADRP C[C@@H]([NH2+]C[C@H](C)CN1CC[NH+](C)CC1)c1ccc(F)cc1Br ZINC000120871554 495475434 /nfs/dbraw/zinc/47/54/34/495475434.db2.gz LVMOEYZHUUCPHQ-UONOGXRCSA-N 2 0 372.326 3.122 20 0 FGADRP CCOc1ccc(Cl)cc1[C@@H](C)[NH2+]C[C@H](C)CN1CC[NH+](C)CC1 ZINC000120885231 495478086 /nfs/dbraw/zinc/47/80/86/495478086.db2.gz ADTLCBJDSMGGCD-JKSUJKDBSA-N 2 0 353.938 3.273 20 0 FGADRP CC[N@H+](C)Cc1cccc(CNC(=O)NC[C@H](c2ccsc2)[NH+](C)C)c1 ZINC000140551410 495497402 /nfs/dbraw/zinc/49/74/02/495497402.db2.gz YIAZWVLFMHIQJE-LJQANCHMSA-N 2 0 374.554 3.302 20 0 FGADRP COc1cc([C@@H](C)[NH2+][C@H](CC[NH+](C)C)C(C)(C)C)ccc1S(C)(=O)=O ZINC000125918696 495518856 /nfs/dbraw/zinc/51/88/56/495518856.db2.gz XWMOWYMUFPJKMD-RDTXWAMCSA-N 2 0 370.559 3.116 20 0 FGADRP C[NH+](C)CCN(C(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000580568952 505788434 /nfs/dbraw/zinc/78/84/34/505788434.db2.gz VLIPTCPKRFJNAJ-HXUWFJFHSA-N 2 0 351.494 3.103 20 0 FGADRP CC[NH+]1CCN(CCC[NH2+][C@H](C)c2ccc(F)c(Br)c2)CC1 ZINC000154232834 495552559 /nfs/dbraw/zinc/55/25/59/495552559.db2.gz OJMUPNUWWSKLAS-CQSZACIVSA-N 2 0 372.326 3.266 20 0 FGADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]C[C@H](O)COc1cccc(Cl)c1Cl ZINC000154280025 495567545 /nfs/dbraw/zinc/56/75/45/495567545.db2.gz GWEKSUDOLUTFHP-UKTARXLSSA-N 2 0 361.313 3.051 20 0 FGADRP C[NH+]1CCN(c2cc(C[NH2+][C@@H]3CCCc4cc(F)ccc43)ccn2)CC1 ZINC000182467998 495573872 /nfs/dbraw/zinc/57/38/72/495573872.db2.gz RHAXNAQCBAMERH-HXUWFJFHSA-N 2 0 354.473 3.140 20 0 FGADRP C[C@@H](CCNC(=O)c1ccc(C[NH+](C)C)cc1)[N@H+](C)Cc1ccccc1 ZINC000173593203 495603591 /nfs/dbraw/zinc/60/35/91/495603591.db2.gz TVFYFRUVGXZFES-SFHVURJKSA-N 2 0 353.510 3.389 20 0 FGADRP C[C@@H](NC(=O)NCC[N@H+](C)Cc1ccccc1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000182555575 495613559 /nfs/dbraw/zinc/61/35/59/495613559.db2.gz BJMBLGNECFZIRH-QUCCMNQESA-N 2 0 372.557 3.071 20 0 FGADRP CC[C@H](C)[N@H+](C)CCNC(=O)NC[C@@H]1CCC[NH+](C)[C@@H]1c1cccs1 ZINC000176454181 495656850 /nfs/dbraw/zinc/65/68/50/495656850.db2.gz VFCGRGHEOCGAOW-BQFCYCMXSA-N 2 0 366.575 3.161 20 0 FGADRP C[NH+](C)Cc1ccc(CNC(=O)c2cccc(C[NH+]3CCCC3)c2)cc1F ZINC000154623753 495675914 /nfs/dbraw/zinc/67/59/14/495675914.db2.gz GICXXGYORSOELE-UHFFFAOYSA-N 2 0 369.484 3.413 20 0 FGADRP COC(=O)c1ccccc1OCC[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185730929 495700748 /nfs/dbraw/zinc/70/07/48/495700748.db2.gz NOUJJJVFBXCWTG-DLBZAZTESA-N 2 0 360.498 3.095 20 0 FGADRP C[C@@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1ccc(F)cc1OC(F)F ZINC000150996940 495707100 /nfs/dbraw/zinc/70/71/00/495707100.db2.gz CEMPVCGTWNADNJ-CYBMUJFWSA-N 2 0 359.436 3.104 20 0 FGADRP CC[NH+](CC)[C@H](C(=O)NC[C@H](C)C[NH2+]C)c1cccc(C(F)(F)F)c1 ZINC000154794231 495729680 /nfs/dbraw/zinc/72/96/80/495729680.db2.gz SKXDUNCLLVDTOT-CJNGLKHVSA-N 2 0 359.436 3.060 20 0 FGADRP CN(c1ccccc1C[NH2+]C[C@]1(C)CCCC[C@H]1O)C1CC[NH+](C)CC1 ZINC000151075559 495730679 /nfs/dbraw/zinc/73/06/79/495730679.db2.gz IDWVVDGRVDYMIP-YADHBBJMSA-N 2 0 359.558 3.248 20 0 FGADRP Clc1ccc(OCC[NH+]2CCC(OCC[NH+]3CCCC3)CC2)cc1 ZINC000173953929 495762989 /nfs/dbraw/zinc/76/29/89/495762989.db2.gz FYNVBJCVRACFRX-UHFFFAOYSA-N 2 0 352.906 3.296 20 0 FGADRP CC1CC[NH+](Cc2ccccc2C[NH2+]CCC(=O)Nc2cccnc2)CC1 ZINC000577841581 505802080 /nfs/dbraw/zinc/80/20/80/505802080.db2.gz XBUDKIJYRZCTQM-UHFFFAOYSA-N 2 0 366.509 3.432 20 0 FGADRP Cc1ccc(C[NH2+]C(C)(C)CCN2CC[NH+](C)CC2)c(Br)c1 ZINC000185887801 495765494 /nfs/dbraw/zinc/76/54/94/495765494.db2.gz NOKARHPCAZTIQX-UHFFFAOYSA-N 2 0 368.363 3.263 20 0 FGADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](Cc1cccc(F)c1)c1cccc(F)c1 ZINC000154903865 495767213 /nfs/dbraw/zinc/76/72/13/495767213.db2.gz BBQUVLVMAFSQTM-VGSWGCGISA-N 2 0 373.491 3.474 20 0 FGADRP c1cn(-c2ccc(C[NH+]3CCC(CCC[NH+]4CCOCC4)CC3)cc2)cn1 ZINC000182949062 495770951 /nfs/dbraw/zinc/77/09/51/495770951.db2.gz GOBWREHAZRUGLF-UHFFFAOYSA-N 2 0 368.525 3.197 20 0 FGADRP C[NH+]1CCN(CCC(C)(C)[NH2+]Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000185896379 495771343 /nfs/dbraw/zinc/77/13/43/495771343.db2.gz GEFHYAMHIXHQGR-UHFFFAOYSA-N 2 0 359.436 3.091 20 0 FGADRP O[C@H](Cc1ccc(C(F)(F)F)cc1)C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000151218213 495774767 /nfs/dbraw/zinc/77/47/67/495774767.db2.gz ARHIZGAMJDZELS-SJLPKXTDSA-N 2 0 356.432 3.027 20 0 FGADRP C[C@@H]1C[N@@H+](CC2CCN(Cc3cc(-c4ccco4)on3)CC2)C[C@H](C)O1 ZINC000171306912 495813453 /nfs/dbraw/zinc/81/34/53/495813453.db2.gz MTOFZCVCMNJNFI-IYBDPMFKSA-N 2 0 359.470 3.256 20 0 FGADRP CC[N@H+](Cc1ccc(C(=O)N2CC[C@H]3[C@H](CCC[NH+]3C)C2)cc1)C(C)C ZINC000155058120 495819124 /nfs/dbraw/zinc/81/91/24/495819124.db2.gz HQJJSVLZTSHSCR-RTWAWAEBSA-N 2 0 357.542 3.473 20 0 FGADRP Cc1nc(-c2ccccc2)sc1[C@@H](C)[NH2+][C@@H](C)CN1CC[NH+](C)CC1 ZINC000155070972 495824878 /nfs/dbraw/zinc/82/48/78/495824878.db2.gz YPEJCQYWQXESGN-JKSUJKDBSA-N 2 0 358.555 3.405 20 0 FGADRP Cc1ccccc1CN(C)C(=O)[C@H](C)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000171387390 495851209 /nfs/dbraw/zinc/85/12/09/495851209.db2.gz MKYKTCBTDDYMCA-IBGZPJMESA-N 2 0 357.542 3.150 20 0 FGADRP CC(C)[NH+](CCCNC(=O)NCc1ccc(F)c(C[NH+](C)C)c1)C(C)C ZINC000174265752 495886905 /nfs/dbraw/zinc/88/69/05/495886905.db2.gz CFCOHDCXAMWVNK-UHFFFAOYSA-N 2 0 366.525 3.195 20 0 FGADRP Cc1nccn1C[C@H](C)C[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000180163754 495888439 /nfs/dbraw/zinc/88/84/39/495888439.db2.gz XGOGOFZBQIGTSY-KDXIVRHGSA-N 2 0 352.526 3.328 20 0 FGADRP O=C(C1CC1)N1CCC([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC000568948329 505814707 /nfs/dbraw/zinc/81/47/07/505814707.db2.gz FFBHRPPFPKUQOI-DKUWSORSSA-N 2 0 367.537 3.173 20 0 FGADRP C[NH+](C)[C@H](CNC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1)c1cccs1 ZINC000171677895 495986085 /nfs/dbraw/zinc/98/60/85/495986085.db2.gz FKTJDEANTFQQLR-IAGOWNOFSA-N 2 0 364.559 3.011 20 0 FGADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H](C)c2ccc(F)c(Br)c2)CC1 ZINC000155584755 496003549 /nfs/dbraw/zinc/00/35/49/496003549.db2.gz YVZONMXUCGNYPA-ZIAGYGMSSA-N 2 0 372.326 3.265 20 0 FGADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H]2CCCOc3c(Cl)cccc32)CC1 ZINC000155600899 496008718 /nfs/dbraw/zinc/00/87/18/496008718.db2.gz DCFJHTIRBJIYOA-QAPCUYQASA-N 2 0 351.922 3.169 20 0 FGADRP C[C@@H]1C[NH+](CCCC[NH2+]Cc2cn(C)nc2C2CCCCC2)C[C@@H](C)O1 ZINC000183564924 496032802 /nfs/dbraw/zinc/03/28/02/496032802.db2.gz XUHXRVJVXFONAA-QZTJIDSGSA-N 2 0 362.562 3.447 20 0 FGADRP COCC[N@H+](C)CCCC1CC[NH+](Cc2cn(C)nc2C(C)(C)C)CC1 ZINC000180547975 496041023 /nfs/dbraw/zinc/04/10/23/496041023.db2.gz HJWGGNYPWJHXEP-UHFFFAOYSA-N 2 0 364.578 3.288 20 0 FGADRP CC[NH+](CC)Cc1ccc(CNC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1 ZINC000174633718 496041020 /nfs/dbraw/zinc/04/10/20/496041020.db2.gz PMQLUZSZPNBPQB-SEJPIABJSA-N 2 0 372.557 3.343 20 0 FGADRP CC[C@H]([NH2+][C@@H](C)CCN1CC[NH+](C)CC1)c1ccc(OC(F)F)cc1 ZINC000186573487 496052715 /nfs/dbraw/zinc/05/27/15/496052715.db2.gz YYEUILWGDQTMOL-YJBOKZPZSA-N 2 0 355.473 3.355 20 0 FGADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H]2CCc3ccc(OC(F)(F)F)cc32)CC1 ZINC000155755713 496057250 /nfs/dbraw/zinc/05/72/50/496057250.db2.gz JTNJPVVKIKJYQA-KDOFPFPSSA-N 2 0 371.447 3.188 20 0 FGADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1cccc(Br)c1 ZINC000186604251 496068181 /nfs/dbraw/zinc/06/81/81/496068181.db2.gz PGLLMSQOMDXLQT-CABCVRRESA-N 2 0 354.336 3.126 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccccc2-n2ccnc2)[C@H](C)C1 ZINC000152233033 496088043 /nfs/dbraw/zinc/08/80/43/496088043.db2.gz BMAPOZQDJVOWCG-QUCCMNQESA-N 2 0 356.514 3.099 20 0 FGADRP C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)C[C@@H]2CCCC[C@@H]2[NH3+])C1 ZINC000568979945 505823364 /nfs/dbraw/zinc/82/33/64/505823364.db2.gz QMDHAVMGLGNYET-LQWHRVPQSA-N 2 0 357.542 3.442 20 0 FGADRP C[C@@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000152365627 496127846 /nfs/dbraw/zinc/12/78/46/496127846.db2.gz VXUSMXZXWAEDBQ-DOTOQJQBSA-N 2 0 363.933 3.151 20 0 FGADRP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)NCc1ccccc1C[NH+](C)C(C)C ZINC000156059507 496146483 /nfs/dbraw/zinc/14/64/83/496146483.db2.gz VWTYSLGOTFTCRA-HXUWFJFHSA-N 2 0 360.546 3.008 20 0 FGADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)NCC(C)(C)[NH2+][C@@H](C)c2ccccc2)C1 ZINC000174890196 496150775 /nfs/dbraw/zinc/15/07/75/496150775.db2.gz MQRHAANAFPMQIF-OALUTQOASA-N 2 0 374.573 3.489 20 0 FGADRP O[C@H](Cc1ccc(C(F)(F)F)cc1)C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000156155134 496173367 /nfs/dbraw/zinc/17/33/67/496173367.db2.gz RXMQAMNPKVQNAH-LJQANCHMSA-N 2 0 370.459 3.417 20 0 FGADRP Cc1nn(C)cc1[C@@H](C)[NH2+]CCCC[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000177759520 496184887 /nfs/dbraw/zinc/18/48/87/496184887.db2.gz UWSXWUFZVUOPMR-LJQANCHMSA-N 2 0 369.557 3.290 20 0 FGADRP CCO[C@H]1C[C@H]([NH2+]Cc2ccncc2OCC[NH+](C)C)C12CCCCC2 ZINC000574671667 505828370 /nfs/dbraw/zinc/82/83/70/505828370.db2.gz OMKQPBVLEBXBMH-PMACEKPBSA-N 2 0 361.530 3.240 20 0 FGADRP CC[NH+](CC)Cc1ccccc1CNC(=O)N1CC[C@@H](C[N@@H+](C)CC)C1 ZINC000177846125 496221193 /nfs/dbraw/zinc/22/11/93/496221193.db2.gz AUONMSJTFLYZBF-SFHVURJKSA-N 2 0 360.546 3.012 20 0 FGADRP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+]1CCCC2(CC2)C1 ZINC000186951902 496225694 /nfs/dbraw/zinc/22/56/94/496225694.db2.gz QVFKVUYJGQKZBI-SFHVURJKSA-N 2 0 355.526 3.032 20 0 FGADRP CC(C)CCn1cccc1C[NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000180992757 496232955 /nfs/dbraw/zinc/23/29/55/496232955.db2.gz XRGHAJYKOKJEJR-JOCHJYFZSA-N 2 0 355.526 3.391 20 0 FGADRP CC(C)[C@@H](CNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)[NH+]1CCC(C)CC1 ZINC000175064099 496233283 /nfs/dbraw/zinc/23/32/83/496233283.db2.gz VMVJXFJLEWRKNX-RAFMOHDBSA-N 2 0 364.578 3.057 20 0 FGADRP Cc1ccc([C@@H](C)[NH2+]Cc2ccc(C(=O)NCC[NH+](C)C)cc2)cc1C ZINC000180998438 496234547 /nfs/dbraw/zinc/23/45/47/496234547.db2.gz SCOBYNQPQDYJEL-GOSISDBHSA-N 2 0 353.510 3.446 20 0 FGADRP C[C@H]([NH2+]C(C)(C)CNC(=O)N1CCC[C@@H]1C[NH+]1CCCC1)c1ccccc1 ZINC000172269322 496236530 /nfs/dbraw/zinc/23/65/30/496236530.db2.gz BWMRYGWWJRFSDF-AZUAARDMSA-N 2 0 372.557 3.386 20 0 FGADRP CCC(=O)c1cccc(NC(=O)N(CC[NH+](C)C)C[C@@H]2CCC[N@H+]2CC)c1 ZINC000152727539 496237948 /nfs/dbraw/zinc/23/79/48/496237948.db2.gz IBPGTSGWHMMGOW-IBGZPJMESA-N 2 0 374.529 3.159 20 0 FGADRP C[C@H]([NH2+]CCc1cn2c(n1)CCCC2)c1ccc(N2CCOC2=O)cc1 ZINC000152747625 496244211 /nfs/dbraw/zinc/24/42/11/496244211.db2.gz UKGCNXYTLBHLNY-HNNXBMFYSA-N 2 0 354.454 3.069 20 0 FGADRP Cc1ccccc1C[NH+]1CCC(NC(=O)C[NH2+][C@H]2[C@H](C)CCC[C@@H]2C)CC1 ZINC000574697534 505834344 /nfs/dbraw/zinc/83/43/44/505834344.db2.gz UYCYIHMXTJVPKB-MOJGAOKDSA-N 2 0 371.569 3.490 20 0 FGADRP C[NH+](CCCCC[N@@H+](C)C[C@@H]1CCCC[C@@H]1O)C[C@@H]1CCCC[C@@H]1O ZINC000181449978 496401224 /nfs/dbraw/zinc/40/12/24/496401224.db2.gz QLTPCUJDGOWDSD-TUFLPTIASA-N 2 0 354.579 3.123 20 0 FGADRP C[C@H]([NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1ccc(F)cc1N(C)C ZINC000162870719 496425173 /nfs/dbraw/zinc/42/51/73/496425173.db2.gz JBDDSZQYCCAKJH-ZACQAIPSSA-N 2 0 351.510 3.432 20 0 FGADRP CC(C)[C@H](CNC(=O)C[NH+]1CCC(CC[NH+](C)C)CC1)c1ccccc1 ZINC000172828442 496451130 /nfs/dbraw/zinc/45/11/30/496451130.db2.gz ZBTPLUFEYSCSFA-NRFANRHFSA-N 2 0 359.558 3.206 20 0 FGADRP CC[NH+](CC)Cc1ccc(CNC(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)cc1 ZINC000175643420 496480619 /nfs/dbraw/zinc/48/06/19/496480619.db2.gz GUMGTNCQGQCJSQ-PMACEKPBSA-N 2 0 360.546 3.200 20 0 FGADRP C[C@H](NC(=O)c1ccccc1OCC[NH+](C)C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181662519 496491833 /nfs/dbraw/zinc/49/18/33/496491833.db2.gz DCFQTWXKEBKXHX-ZWKOTPCHSA-N 2 0 373.541 3.010 20 0 FGADRP CCCN(C(=O)[C@@H](C)[NH+]1CCC(Cc2ccccc2)CC1)C1CC[NH2+]CC1 ZINC000163308088 496496570 /nfs/dbraw/zinc/49/65/70/496496570.db2.gz XVGHTSXHTKYRJD-LJQANCHMSA-N 2 0 371.569 3.320 20 0 FGADRP CCOc1cccc2cc([C@@H](C)[NH2+]C[C@@H](C)CN3CC[NH+](C)CC3)oc21 ZINC000181689647 496504189 /nfs/dbraw/zinc/50/41/89/496504189.db2.gz HIEKILCHFHRJIY-IAGOWNOFSA-N 2 0 359.514 3.366 20 0 FGADRP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NCC(=O)N1CCCCCC1 ZINC000184744692 496515611 /nfs/dbraw/zinc/51/56/11/496515611.db2.gz OTBPOLCSJFAONY-OALUTQOASA-N 2 0 357.542 3.135 20 0 FGADRP CC1CC[NH+](CCNC(=O)N(Cc2ccccc2)C2CC[NH+](C)CC2)CC1 ZINC000175781509 496542794 /nfs/dbraw/zinc/54/27/94/496542794.db2.gz JTFZFNLGMPKJNK-UHFFFAOYSA-N 2 0 372.557 3.024 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(SC)cc1 ZINC000157798061 496557261 /nfs/dbraw/zinc/55/72/61/496557261.db2.gz NPGVPYYGMIQGRM-KRWDZBQOSA-N 2 0 364.559 3.288 20 0 FGADRP CC[NH+](CC)Cc1ccccc1C[NH2+][C@H](C)c1ccc(-n2cnnn2)cc1 ZINC000163790408 496558713 /nfs/dbraw/zinc/55/87/13/496558713.db2.gz UZJHHHXBIHEHHO-QGZVFWFLSA-N 2 0 364.497 3.355 20 0 FGADRP CCO[C@H]1C[C@H]([NH2+]CC2(N3CCCCC3)CC[NH+](C)CC2)C12CCCC2 ZINC000181827491 496561034 /nfs/dbraw/zinc/56/10/34/496561034.db2.gz AGXITCPNSOIWQL-PMACEKPBSA-N 2 0 363.590 3.264 20 0 FGADRP CCC[NH+]1CCC(CNC(=O)NCc2cccc(C[N@H+](C)CC)c2)CC1 ZINC000157822918 496563423 /nfs/dbraw/zinc/56/34/23/496563423.db2.gz FHFZAIXOYUUHJL-UHFFFAOYSA-N 2 0 360.546 3.060 20 0 FGADRP CCO[C@H]1C[C@@H]([NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)C12CCCC2 ZINC000181860833 496575236 /nfs/dbraw/zinc/57/52/36/496575236.db2.gz OSBTWVQFOPOYBB-YADHBBJMSA-N 2 0 372.553 3.471 20 0 FGADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H](C)c1ccc(OC)cc1Br ZINC000181874889 496581566 /nfs/dbraw/zinc/58/15/66/496581566.db2.gz MLGUMPAIIPTBFF-UKRRQHHQSA-N 2 0 373.335 3.465 20 0 FGADRP Cc1cccnc1[C@H]([NH2+]CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)C(C)C ZINC000184985017 496611376 /nfs/dbraw/zinc/61/13/76/496611376.db2.gz KHGVPWNBVLAHBJ-TZIWHRDSSA-N 2 0 368.525 3.096 20 0 FGADRP Cc1ccccc1C[NH+]1CCC(NC(=O)[C@H]2CCCCCC[C@H]2[NH3+])CC1 ZINC000164549510 496618374 /nfs/dbraw/zinc/61/83/74/496618374.db2.gz LMKFPAKNWDYPEH-LEWJYISDSA-N 2 0 357.542 3.373 20 0 FGADRP Cc1ccc(C[C@H](CO)[NH2+][C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000571960591 505855741 /nfs/dbraw/zinc/85/57/41/505855741.db2.gz PAIKRGVLVOPWOC-AJSBUHFISA-N 2 0 352.522 3.399 20 0 FGADRP CSc1ccc([C@H](C)[NH2+]Cc2ccc(N3CC[NH+](C)CC3)nc2)cc1 ZINC000173311250 496637576 /nfs/dbraw/zinc/63/75/76/496637576.db2.gz RYUCRKJELZFSSO-INIZCTEOSA-N 2 0 356.539 3.406 20 0 FGADRP C[C@H]1C[C@@H](NC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)C[N@@H+]1C1CC1 ZINC000158160149 496640350 /nfs/dbraw/zinc/64/03/50/496640350.db2.gz DOJPUTPRDRBYGW-PKOBYXMFSA-N 2 0 355.526 3.030 20 0 FGADRP c1ccc2c(c1)cncc2N1CC[NH+](Cc2ccc3c(c2)C[NH2+]CC3)CC1 ZINC000578075827 505856466 /nfs/dbraw/zinc/85/64/66/505856466.db2.gz MAFVVIXBTWTHIQ-UHFFFAOYSA-N 2 0 358.489 3.203 20 0 FGADRP C[C@H]1C[C@H](N(C)C(=O)NCC2([NH+]3CCCCC3)CCCCC2)CC[N@@H+]1C ZINC000173346453 496652748 /nfs/dbraw/zinc/65/27/48/496652748.db2.gz DNQBNCZFWFRYHY-RBUKOAKNSA-N 2 0 364.578 3.299 20 0 FGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H](C)c2cccc(Br)c2)CC1 ZINC000173385352 496669270 /nfs/dbraw/zinc/66/92/70/496669270.db2.gz UBCQHQZEKPXXPJ-CVEARBPZSA-N 2 0 368.363 3.373 20 0 FGADRP c1ccc(C[NH+]2CCC(OCCC[NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)CC2)cc1 ZINC000166772974 496692339 /nfs/dbraw/zinc/69/23/39/496692339.db2.gz POSCQAJXTOZTFP-FCHUYYIVSA-N 3 0 371.569 3.274 20 0 FGADRP Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)[C@@H]([NH3+])Cc1ccccc1 ZINC000166721989 496692864 /nfs/dbraw/zinc/69/28/64/496692864.db2.gz RGWROTJVUOEGDK-IBGZPJMESA-N 2 0 369.534 3.052 20 0 FGADRP CC(C)C[C@H]([NH3+])C(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000167842392 496706434 /nfs/dbraw/zinc/70/64/34/496706434.db2.gz XESQGQIZQHKXEZ-SFHVURJKSA-N 2 0 351.922 3.042 20 0 FGADRP C[C@@H](C(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]([NH3+])c1ccccc1 ZINC000168706817 496711795 /nfs/dbraw/zinc/71/17/95/496711795.db2.gz ZVZSKLIPLNJNEK-KAGYGMCKSA-N 2 0 365.521 3.303 20 0 FGADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H](C)Cc1ccc(Br)cc1 ZINC000188239586 496721798 /nfs/dbraw/zinc/72/17/98/496721798.db2.gz JJGAFPUDHHJINB-PBHICJAKSA-N 2 0 357.336 3.327 20 0 FGADRP CCc1nc2c(s1)[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)CCC2 ZINC000182264331 496723515 /nfs/dbraw/zinc/72/35/15/496723515.db2.gz DUUCYDUOGRJBQX-ZWKOTPCHSA-N 2 0 371.550 3.439 20 0 FGADRP C[C@H]1CC[C@H](C)[NH+]1CCN1CC[NH+](CCCOCc2ccccc2)CC1 ZINC000182296476 496727915 /nfs/dbraw/zinc/72/79/15/496727915.db2.gz SISIBORJMFXIJB-SFTDATJTSA-N 2 0 359.558 3.084 20 0 FGADRP CCC[N@@H+]1CC[C@@H](CNC(=O)NC2CC[NH+]([C@H](C)c3ccccc3)CC2)C1 ZINC000246946042 496731960 /nfs/dbraw/zinc/73/19/60/496731960.db2.gz JBAFSRAPWCVEBA-MOPGFXCFSA-N 2 0 372.557 3.243 20 0 FGADRP C[C@H](C(=O)N1c2ccccc2CC[C@@H]1C)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000246964837 496737226 /nfs/dbraw/zinc/73/72/26/496737226.db2.gz OJKDNOKXHUMHBC-CUDHKJQZSA-N 2 0 355.526 3.159 20 0 FGADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000273218797 496743938 /nfs/dbraw/zinc/74/39/38/496743938.db2.gz MRGCAQPCYPWWMO-OHSMVPPVSA-N 2 0 357.542 3.465 20 0 FGADRP C[C@@H]1CN(Cc2ccccn2)CC[C@H]1[NH2+]Cc1cccc(C[NH+](C)C)c1 ZINC000247032822 496757981 /nfs/dbraw/zinc/75/79/81/496757981.db2.gz MHGOGSVOZBZZGM-XMSQKQJNSA-N 2 0 352.526 3.143 20 0 FGADRP COc1ccc2c(c1)[C@@H]([NH2+]C[C@@H](C(C)C)N1CC[NH+](C)CC1)CCS2 ZINC000191493001 496781884 /nfs/dbraw/zinc/78/18/84/496781884.db2.gz HQNZXIHGFIIYMZ-OALUTQOASA-N 2 0 363.571 3.094 20 0 FGADRP CCN(C[C@@H]1CCC[N@@H+]1CC)C(=O)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000569158702 505865573 /nfs/dbraw/zinc/86/55/73/505865573.db2.gz VQWNXHJBBMGHMC-FQEVSTJZSA-N 2 0 352.482 3.194 20 0 FGADRP COc1ccc([C@@H]2C[C@H](C)[N@H+](CCCN3CC[NH+](C(C)C)CC3)C2)cc1 ZINC000191503249 496787634 /nfs/dbraw/zinc/78/76/34/496787634.db2.gz BWMYKQZIFKNIFO-PZJWPPBQSA-N 2 0 359.558 3.289 20 0 FGADRP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000273388566 496790851 /nfs/dbraw/zinc/79/08/51/496790851.db2.gz JLEMJUVXXLTECS-SFHVURJKSA-N 2 0 372.557 3.154 20 0 FGADRP CC[NH+]1CCN(CCC[NH2+][C@@H](C)c2ccc(OCC(F)(F)F)cc2)CC1 ZINC000268820743 496795422 /nfs/dbraw/zinc/79/54/22/496795422.db2.gz NUXSVIXOGQJDRO-INIZCTEOSA-N 2 0 373.463 3.306 20 0 FGADRP C[NH+](C)CCN(CC[NH+](C)C)Cc1ccc(Cl)c(C(F)(F)F)c1 ZINC000574846328 505866535 /nfs/dbraw/zinc/86/65/35/505866535.db2.gz NZOZFPOVCMFFAT-UHFFFAOYSA-N 2 0 351.844 3.284 20 0 FGADRP C[C@H]([NH2+]C1CCN(c2ccccn2)CC1)c1ccc2c(c1)CCC(=O)N2 ZINC000268837252 496798697 /nfs/dbraw/zinc/79/86/97/496798697.db2.gz SQIPUAJLPVLTFY-HNNXBMFYSA-N 2 0 350.466 3.286 20 0 FGADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1ccc(Br)cc1F ZINC000188485424 496806209 /nfs/dbraw/zinc/80/62/09/496806209.db2.gz ZUTSVMDOBPZMMN-KGLIPLIRSA-N 2 0 372.326 3.265 20 0 FGADRP Cc1ccn2cc(C[NH2+][C@@H](C)c3ccc(OCC[NH+](C)C)cc3)nc2c1 ZINC000268895586 496817333 /nfs/dbraw/zinc/81/73/33/496817333.db2.gz LIFXBLGXNJVADM-KRWDZBQOSA-N 2 0 352.482 3.434 20 0 FGADRP CC(=O)Nc1cccc([C@H](C)[NH2+]CCc2ccc(OCC[NH+](C)C)cc2)c1 ZINC000268916311 496823383 /nfs/dbraw/zinc/82/33/83/496823383.db2.gz VKPRISPXVXGSAM-KRWDZBQOSA-N 2 0 369.509 3.479 20 0 FGADRP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000273526665 496830223 /nfs/dbraw/zinc/83/02/23/496830223.db2.gz ZTPCQSFFKACRCM-GOSISDBHSA-N 2 0 372.557 3.154 20 0 FGADRP C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+]CCCC[NH+](C)C ZINC000268986880 496842610 /nfs/dbraw/zinc/84/26/10/496842610.db2.gz IXMOTWNOCXRFGY-CYBMUJFWSA-N 2 0 361.408 3.234 20 0 FGADRP C[NH+](C)[C@@H](CNC(=O)c1ccc2c(ccn2CCC[NH3+])c1)c1ccsc1 ZINC000269230780 496899750 /nfs/dbraw/zinc/89/97/50/496899750.db2.gz HVGFOZROXKPZIK-IBGZPJMESA-N 2 0 370.522 3.084 20 0 FGADRP C[NH+]1CCC(O)(C[NH2+]Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1 ZINC000269329516 496921156 /nfs/dbraw/zinc/92/11/56/496921156.db2.gz BDVGXKRTGGJQLS-UHFFFAOYSA-N 2 0 370.337 3.271 20 0 FGADRP CC(C)(CNC(=O)NCc1cccc(C[NH+]2CCCC2)c1)[NH+]1CCCCC1 ZINC000195600795 496952906 /nfs/dbraw/zinc/95/29/06/496952906.db2.gz PVEMRZTVIJYJTB-UHFFFAOYSA-N 2 0 372.557 3.346 20 0 FGADRP Cc1cc(-n2ccnc2)ccc1C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000192051640 496976525 /nfs/dbraw/zinc/97/65/25/496976525.db2.gz KCLFGJPOHMIFLB-UHFFFAOYSA-N 2 0 368.525 3.258 20 0 FGADRP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC000269678369 496988059 /nfs/dbraw/zinc/98/80/59/496988059.db2.gz ZGLMWPORJZTJNM-UWJYYQICSA-N 2 0 370.541 3.130 20 0 FGADRP Cc1nn(C)c(C)c1C[C@H](C)[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000248409235 497001015 /nfs/dbraw/zinc/00/10/15/497001015.db2.gz FVVMZCTVRZRYIV-DQOBCGMHSA-N 2 0 366.553 3.468 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(-n3ccnc3)cc2C)[C@H](C)C1 ZINC000192193894 497028931 /nfs/dbraw/zinc/02/89/31/497028931.db2.gz SGOSEKVBRZWKIX-KNQAVFIVSA-N 2 0 370.541 3.407 20 0 FGADRP O=C(Nc1ccn(-c2cc[nH+]cc2)n1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000265083165 497044687 /nfs/dbraw/zinc/04/46/87/497044687.db2.gz NISJPNJQUJVMMP-UHFFFAOYSA-N 2 0 361.449 3.118 20 0 FGADRP CC(C)CN(C(=O)c1ccc(C[NH+]2CCCC2)cc1)C1CC[NH+](C)CC1 ZINC000265093043 497045826 /nfs/dbraw/zinc/04/58/26/497045826.db2.gz DAVSQDAKHDOASW-UHFFFAOYSA-N 2 0 357.542 3.475 20 0 FGADRP C(C[NH+]1CCC([C@H]2CCCO2)CC1)C[NH+]1CCC([C@H]2CCCO2)CC1 ZINC000189249254 497058277 /nfs/dbraw/zinc/05/82/77/497058277.db2.gz RSANAQPECWQCSU-NHCUHLMSSA-N 2 0 350.547 3.159 20 0 FGADRP COc1ccc([C@H](CNC(=O)C[N@H+](C)C(C)(C)C)[NH+]2CCCCC2)cc1 ZINC000574914797 505882443 /nfs/dbraw/zinc/88/24/43/505882443.db2.gz KTMMMBSAHNHAHB-IBGZPJMESA-N 2 0 361.530 3.069 20 0 FGADRP Cc1c([C@@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CC[C@@H](O)C2)cnn1C(C)(C)C ZINC000248723835 497089075 /nfs/dbraw/zinc/08/90/75/497089075.db2.gz UAXKAHVWJSTFID-OXQOHEQNSA-N 2 0 370.541 3.364 20 0 FGADRP C[C@@H]1C[C@@H](CCNC(=O)N2CCC(CC[NH3+])CC2)C[N@@H+]1Cc1ccccc1 ZINC000569231017 505884817 /nfs/dbraw/zinc/88/48/17/505884817.db2.gz ZUPNWPXKJQJXLP-WIYYLYMNSA-N 2 0 372.557 3.058 20 0 FGADRP OC[C@@H](Cc1ccccc1)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000248823531 497109815 /nfs/dbraw/zinc/10/98/15/497109815.db2.gz FNXXPVCGDHHJEG-BXXSPATCSA-N 2 0 350.506 3.375 20 0 FGADRP C[C@@H]([NH2+]CC1CC[NH+](C2CC2)CC1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000278436225 497113609 /nfs/dbraw/zinc/11/36/09/497113609.db2.gz JYEWCPRYWVBFRP-CYBMUJFWSA-N 2 0 372.481 3.208 20 0 FGADRP CC(C)[NH+]1CCC([NH2+]C2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)CC1 ZINC000236598956 497119574 /nfs/dbraw/zinc/11/95/74/497119574.db2.gz UOZQWVGHZSGHRH-AYHJJNSGSA-N 2 0 351.535 3.379 20 0 FGADRP CC1CC[NH+](C[C@@H]2CCCN(C(=O)CC[C@@H]([NH3+])c3ccccc3)C2)CC1 ZINC000236624599 497122350 /nfs/dbraw/zinc/12/23/50/497122350.db2.gz JBMPVUYEZJNQOD-PZJWPPBQSA-N 2 0 357.542 3.437 20 0 FGADRP CC1CC[NH+](Cc2ccc(CNC(=O)[C@@H]([NH3+])c3ccccc3)cc2)CC1 ZINC000236634325 497124229 /nfs/dbraw/zinc/12/42/29/497124229.db2.gz TVPFWNISRRLFHV-NRFANRHFSA-N 2 0 351.494 3.235 20 0 FGADRP CC1CC[NH+](Cc2ccc(CNC(=O)[C@H](C[NH3+])c3ccccc3)cc2)CC1 ZINC000236634665 497124518 /nfs/dbraw/zinc/12/45/18/497124518.db2.gz SIZGGXUHXAGPPF-JOCHJYFZSA-N 2 0 365.521 3.277 20 0 FGADRP C[C@H](C[NH2+][C@@H](C)c1cc(Cl)c(N)c(Cl)c1)CN1CC[NH+](C)CC1 ZINC000270431749 497126459 /nfs/dbraw/zinc/12/64/59/497126459.db2.gz IFLATZPLAUENFA-OLZOCXBDSA-N 2 0 359.345 3.110 20 0 FGADRP CC[NH+](CC)CCOc1ccc(NC(=O)[C@@](C)([NH3+])c2ccccc2)cc1 ZINC000192514344 497137309 /nfs/dbraw/zinc/13/73/09/497137309.db2.gz LJYYXEOSCWJMRP-NRFANRHFSA-N 2 0 355.482 3.220 20 0 FGADRP CC1CC[NH+]([C@H](CNC(=O)[C@@H]2CC23CC[NH2+]CC3)c2cccs2)CC1 ZINC000236730326 497139451 /nfs/dbraw/zinc/13/94/51/497139451.db2.gz PTOIHTSQYYPNOL-DLBZAZTESA-N 2 0 361.555 3.027 20 0 FGADRP C[NH+](C)CCn1ccc2ccc(NC(=O)[C@](C)([NH3+])c3ccccc3)cc21 ZINC000192535967 497142781 /nfs/dbraw/zinc/14/27/81/497142781.db2.gz BKAJVYKOXYDJNR-OAQYLSRUSA-N 2 0 350.466 3.016 20 0 FGADRP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](CCSCc2ccccc2)CC1 ZINC000192561398 497150698 /nfs/dbraw/zinc/15/06/98/497150698.db2.gz HOUBTNCSAJFTEI-WOJBJXKFSA-N 2 0 361.599 3.410 20 0 FGADRP NC(=O)[C@H]1CCC[N@H+](Cc2cccc(C[NH2+][C@H]3CCCc4occc43)c2)C1 ZINC000249031836 497151124 /nfs/dbraw/zinc/15/11/24/497151124.db2.gz RIIZVJIKIYXPDJ-ICSRJNTNSA-N 2 0 367.493 3.144 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)C[C@@H]([NH3+])c1ccccc1)c1cccc(OC)c1 ZINC000236877193 497161262 /nfs/dbraw/zinc/16/12/62/497161262.db2.gz ODWBINBIQAQRFC-NHCUHLMSSA-N 2 0 369.509 3.284 20 0 FGADRP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)CCC1CC[NH2+]CC1 ZINC000236903296 497166183 /nfs/dbraw/zinc/16/61/83/497166183.db2.gz NOVDXXITVIJSNI-NRFANRHFSA-N 2 0 357.542 3.137 20 0 FGADRP CC[NH+](CC)Cc1ccc(CNC(=O)[C@H]2[NH2+]CCc3ccccc32)cc1 ZINC000236934283 497169675 /nfs/dbraw/zinc/16/96/75/497169675.db2.gz REJGETSEUXWXFN-NRFANRHFSA-N 2 0 351.494 3.032 20 0 FGADRP CC[NH+]1CCN(c2ccc(NC(=O)C[C@H](C)[C@@H]3CCC[NH2+]C3)c(C)c2)CC1 ZINC000237009681 497179727 /nfs/dbraw/zinc/17/97/27/497179727.db2.gz ZEMHVADXUBNORF-PKOBYXMFSA-N 2 0 372.557 3.101 20 0 FGADRP O[C@H](CN1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1)CC(F)(F)F ZINC000249282560 497186701 /nfs/dbraw/zinc/18/67/01/497186701.db2.gz LCDLHQPWJKXRMX-OKZBNKHCSA-N 2 0 356.432 3.286 20 0 FGADRP C[NH+](C)CC1CCN(c2ccc(NC(=O)CCCCCC[NH3+])cc2)CC1 ZINC000237094666 497190302 /nfs/dbraw/zinc/19/03/02/497190302.db2.gz LLXSWEZKUOLHMB-UHFFFAOYSA-N 2 0 360.546 3.312 20 0 FGADRP C[C@@H]1CCCC[NH+]1CCCNC(=O)NCCCC[N@H+]1CCC[C@H](C)C1 ZINC000249336981 497192484 /nfs/dbraw/zinc/19/24/84/497192484.db2.gz ZLDWUDJGWDRLSB-RBUKOAKNSA-N 2 0 352.567 3.062 20 0 FGADRP COc1ccccc1C[NH2+]CCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000237171842 497200750 /nfs/dbraw/zinc/20/07/50/497200750.db2.gz LJWCHYKIRGRYSG-UHFFFAOYSA-N 2 0 367.537 3.383 20 0 FGADRP CC(=O)NC1CCC([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC000278750265 497207555 /nfs/dbraw/zinc/20/75/55/497207555.db2.gz NWZLFZWNMIUQSH-UMOULQGESA-N 2 0 355.526 3.219 20 0 FGADRP CC[C@](C)(O)C[N@H+](CCCN1CC[NH+](C(C)C)CC1)Cc1ccccc1 ZINC000192841656 497227116 /nfs/dbraw/zinc/22/71/16/497227116.db2.gz XEPYHUPNKLCSNF-QFIPXVFZSA-N 2 0 361.574 3.066 20 0 FGADRP Cc1ccc([C@H](CNC(=O)[C@@H](C)[C@@H]([NH3+])c2ccccc2)[NH+]2CCCC2)o1 ZINC000237444772 497237923 /nfs/dbraw/zinc/23/79/23/497237923.db2.gz LKVWDMQDYSDMJB-XKGZKEIXSA-N 2 0 355.482 3.177 20 0 FGADRP C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)[C@@H]([NH3+])c2ccccc2)C1 ZINC000237472505 497242327 /nfs/dbraw/zinc/24/23/27/497242327.db2.gz FEOMGBFDJQOGCJ-UTKZUKDTSA-N 2 0 351.494 3.235 20 0 FGADRP Cn1cc(C[NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)c(-c2ccncc2)n1 ZINC000192926296 497248414 /nfs/dbraw/zinc/24/84/14/497248414.db2.gz VPECDKJPVACGPK-LJQANCHMSA-N 2 0 361.493 3.094 20 0 FGADRP C[C@@H]([NH2+]CCCOC1CC[NH+](Cc2ccccc2)CC1)c1ccnn1C ZINC000192929932 497249923 /nfs/dbraw/zinc/24/99/23/497249923.db2.gz RKSSORHAINIOMT-GOSISDBHSA-N 2 0 356.514 3.142 20 0 FGADRP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@H]2[NH2+]CCc3ccccc32)CC1 ZINC000237520026 497250018 /nfs/dbraw/zinc/25/00/18/497250018.db2.gz YINFYBXZHDMEGL-JTSKRJEESA-N 2 0 363.505 3.215 20 0 FGADRP C[C@@H]1C[C@@H](CCNC(=O)C[C@H]([NH3+])c2ccccc2)C[N@@H+]1Cc1ccccc1 ZINC000578235778 505894473 /nfs/dbraw/zinc/89/44/73/505894473.db2.gz XNYKBLANJXVWBD-UZKOGDIHSA-N 2 0 365.521 3.493 20 0 FGADRP C[C@H](CC(=O)NC1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C)C1CC[NH2+]CC1 ZINC000237683555 497275606 /nfs/dbraw/zinc/27/56/06/497275606.db2.gz KXIMRWICJQOTDE-QYZOEREBSA-N 2 0 371.569 3.285 20 0 FGADRP [NH3+][C@@H](CCC(=O)NC1CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000237931637 497316173 /nfs/dbraw/zinc/31/61/73/497316173.db2.gz NOYPZIZQLNJESP-NRFANRHFSA-N 2 0 351.494 3.247 20 0 FGADRP O=C(C[NH2+]C1CC1)NCc1ccccc1-c1ccc(C[NH+]2CCCC2)cc1 ZINC000238167307 497344478 /nfs/dbraw/zinc/34/44/78/497344478.db2.gz WMSKVHUCQQLJMZ-UHFFFAOYSA-N 2 0 363.505 3.318 20 0 FGADRP CC(=O)Nc1ccc(C[NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)cn1 ZINC000279142904 497348056 /nfs/dbraw/zinc/34/80/56/497348056.db2.gz SAXFQLWGSBNCLB-QHAWAJNXSA-N 2 0 364.493 3.040 20 0 FGADRP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1ccc(-n2cccn2)cc1 ZINC000271434362 497348320 /nfs/dbraw/zinc/34/83/20/497348320.db2.gz BHMGEFXDALHTHJ-WTOYTKOKSA-N 2 0 368.525 3.291 20 0 FGADRP C[C@H](CNC(=O)NCCCC[N@@H+]1CCCC[C@H]1C)[NH+]1CCC[C@@H](C)C1 ZINC000255058654 497356433 /nfs/dbraw/zinc/35/64/33/497356433.db2.gz NTJSLGRUSCUKRW-GUDVDZBRSA-N 2 0 352.567 3.061 20 0 FGADRP C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)NCCC[NH+](C)C1CCCCC1 ZINC000255958745 497381695 /nfs/dbraw/zinc/38/16/95/497381695.db2.gz NKVGAFZQYVAJME-ROUUACIJSA-N 2 0 352.567 3.061 20 0 FGADRP C[C@@H]([NH2+]CCCCCCC[NH+]1CCCC1)c1ccc(S(N)(=O)=O)cc1 ZINC000271618827 497400334 /nfs/dbraw/zinc/40/03/34/497400334.db2.gz BNNLAWXKEBVOFH-QGZVFWFLSA-N 2 0 367.559 3.031 20 0 FGADRP O=C(NC[C@H]1CCCN(Cc2ccc(Cl)cc2Cl)C1)[C@@H]1CCC[NH2+]1 ZINC000261597120 497416435 /nfs/dbraw/zinc/41/64/35/497416435.db2.gz ACGFGRHLQROYOI-DYVFJYSZSA-N 2 0 370.324 3.074 20 0 FGADRP C[C@H](CC(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000261608303 497418966 /nfs/dbraw/zinc/41/89/66/497418966.db2.gz RUXOTQHUUKJONV-UYAOXDASSA-N 2 0 357.542 3.135 20 0 FGADRP CC[C@H](C(=O)NC[C@H](c1ccsc1)[NH+](C)C)[N@H+](C)Cc1ccccc1 ZINC000572170479 505906561 /nfs/dbraw/zinc/90/65/61/505906561.db2.gz SMLXDJSNYJPEFH-RTBURBONSA-N 2 0 359.539 3.378 20 0 FGADRP CC[NH+](CC)[C@@H](C(=O)Nc1ccc2c(c1F)CC[NH2+]C2)c1ccccc1 ZINC000261698860 497435784 /nfs/dbraw/zinc/43/57/84/497435784.db2.gz JFHJZMDJXUGJAP-HXUWFJFHSA-N 2 0 355.457 3.493 20 0 FGADRP Cc1ccc([C@H](CCn2cncn2)[NH2+]C[C@@H]2CCC[N@@H+](C(C)C)C2)cc1 ZINC000275845506 497445228 /nfs/dbraw/zinc/44/52/28/497445228.db2.gz KCURCLRCEAMYQY-FPOVZHCZSA-N 2 0 355.530 3.428 20 0 FGADRP C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)N1CC[C@@](C)(C[NH3+])C1 ZINC000261802550 497453747 /nfs/dbraw/zinc/45/37/47/497453747.db2.gz VZITUONWKRYWGS-IERDGZPVSA-N 2 0 353.466 3.477 20 0 FGADRP C[C@H]([NH2+]C[C@@H]1C[C@@H](O)CN1Cc1ccccc1)c1ccccc1N(C)C ZINC000245609137 497472945 /nfs/dbraw/zinc/47/29/45/497472945.db2.gz RZVZHPYJSSLEFT-YSIASYRMSA-N 2 0 353.510 3.039 20 0 FGADRP C[NH2+]CCC1CC[NH+]([C@H](C)C(=O)Nc2ccc(OC(F)(F)F)cc2)CC1 ZINC000261985414 497487669 /nfs/dbraw/zinc/48/76/69/497487669.db2.gz JQGXRZGXCYANMZ-CYBMUJFWSA-N 2 0 373.419 3.234 20 0 FGADRP C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]CCN1CC=CCC1 ZINC000279631631 497491856 /nfs/dbraw/zinc/49/18/56/497491856.db2.gz BYBWOYSTFOFTQK-CQSZACIVSA-N 2 0 355.404 3.274 20 0 FGADRP C[C@]1(C[NH+]2CCC(C(=O)Nc3ccc(F)c(Cl)c3)CC2)CC[NH2+]C1 ZINC000262047068 497498791 /nfs/dbraw/zinc/49/87/91/497498791.db2.gz PTQPICWLTPKBCQ-SFHVURJKSA-N 2 0 353.869 3.129 20 0 FGADRP C[NH+](C)[C@H](CNC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1)c1ccccc1 ZINC000245693057 497503928 /nfs/dbraw/zinc/50/39/28/497503928.db2.gz XQOYADFHOWSZLY-PWRODBHTSA-N 2 0 366.509 3.034 20 0 FGADRP CCc1nn(C)c(OC)c1CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000245753402 497528050 /nfs/dbraw/zinc/52/80/50/497528050.db2.gz ULOVGHRFYVWQFO-LDLYASANSA-N 2 0 368.525 3.276 20 0 FGADRP CC[NH+](CC)CCOc1ccccc1C[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000193977628 497538171 /nfs/dbraw/zinc/53/81/71/497538171.db2.gz IKJZTFDFVYPRCJ-HMXCVIKNSA-N 2 0 358.526 3.454 20 0 FGADRP Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)C[C@H]1CCCC[C@@H]1[NH3+] ZINC000575062678 505912862 /nfs/dbraw/zinc/91/28/62/505912862.db2.gz YJZKPZXMVHTUMS-AEFFLSMTSA-N 2 0 361.555 3.390 20 0 FGADRP O=C(Nc1ncc(C2CC[NH2+]CC2)s1)c1cccc(C[NH+]2CCCC2)c1 ZINC000262334354 497541833 /nfs/dbraw/zinc/54/18/33/497541833.db2.gz RZNGVPFVHICFFP-UHFFFAOYSA-N 2 0 370.522 3.458 20 0 FGADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H]1CCc2ccc(Br)cc21 ZINC000194004973 497545967 /nfs/dbraw/zinc/54/59/67/497545967.db2.gz YQFIDQVRQOSRNA-KBXCAEBGSA-N 2 0 366.347 3.052 20 0 FGADRP CSc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H](Cc3nccn3C)C2)cc1 ZINC000245839234 497547276 /nfs/dbraw/zinc/54/72/76/497547276.db2.gz HNSHLVQRSJGSNW-CVEARBPZSA-N 2 0 372.538 3.424 20 0 FGADRP COc1ccccc1O[C@H](C)C[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000581125337 505915797 /nfs/dbraw/zinc/91/57/97/505915797.db2.gz OURWQDSWHRJYPV-CDMIOBSGSA-N 2 0 368.477 3.308 20 0 FGADRP C[C@@H](C(=O)NCc1ccc(C[NH+]2CCCC2)cc1)[C@H]([NH3+])c1ccccc1 ZINC000262627561 497585995 /nfs/dbraw/zinc/58/59/95/497585995.db2.gz COMNDICWKFMTOP-UTKZUKDTSA-N 2 0 351.494 3.235 20 0 FGADRP Cc1ccc([C@H]([NH3+])C(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)cc1 ZINC000262670164 497595981 /nfs/dbraw/zinc/59/59/81/497595981.db2.gz RHCLPBANUKSOSI-LPHOPBHVSA-N 2 0 357.523 3.085 20 0 FGADRP C[NH+](C)CC[C@H](NC(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(C)(C)C ZINC000194183050 497596494 /nfs/dbraw/zinc/59/64/94/497596494.db2.gz MLKJWVILSZPBDE-PMACEKPBSA-N 2 0 374.573 3.174 20 0 FGADRP C[C@@H]1C[C@H](N(C)C(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)CC[N@@H+]1Cc1ccccc1 ZINC000262674868 497597536 /nfs/dbraw/zinc/59/75/36/497597536.db2.gz RJYKWPCILKESHN-BLCKVISQSA-N 2 0 369.553 3.419 20 0 FGADRP Cc1ccc([C@@H]([NH3+])C(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1 ZINC000262677381 497598576 /nfs/dbraw/zinc/59/85/76/497598576.db2.gz UPVGXCHAWQRRSP-HXUWFJFHSA-N 2 0 371.912 3.429 20 0 FGADRP COc1cccc([C@@H](CNC(=O)CC2(C[NH3+])CCCCC2)[NH+]2CCCC2)c1 ZINC000262682047 497599593 /nfs/dbraw/zinc/59/95/93/497599593.db2.gz SZIUWVGMYJMIJX-HXUWFJFHSA-N 2 0 373.541 3.248 20 0 FGADRP C[C@@H]1C[NH+](CCCC[NH2+][C@@H](c2cnn(C)c2)c2cccc(F)c2)C[C@@H](C)O1 ZINC000246030498 497600346 /nfs/dbraw/zinc/60/03/46/497600346.db2.gz WAPVYFFJQALLOD-CBGDNZLLSA-N 2 0 374.504 3.128 20 0 FGADRP C[N@@H+]1CC[C@H]2CCN(C(=O)Nc3ccc(CC[NH+]4CCCCC4)cc3)[C@H]2C1 ZINC000272388371 497615345 /nfs/dbraw/zinc/61/53/45/497615345.db2.gz ISKBOIWIFNERMF-FPOVZHCZSA-N 2 0 370.541 3.273 20 0 FGADRP CC(C)[N@@H+]1[C@@H]2CC[C@H]1CN(C(=O)NCCCC[NH+]1CCC[C@H](C)C1)CC2 ZINC000246155191 497640925 /nfs/dbraw/zinc/64/09/25/497640925.db2.gz KMABAEGJRXWDQZ-ZCNNSNEGSA-N 2 0 364.578 3.155 20 0 FGADRP CCO[C@@H]1C[C@H]([NH2+][C@@H](CN)c2ccc3ccccc3c2)C12CCOCC2 ZINC000578348893 505919933 /nfs/dbraw/zinc/91/99/33/505919933.db2.gz YVCPZUKGUFYQJA-PCCBWWKXSA-N 2 0 354.494 3.403 20 0 FGADRP COc1cccc([C@H](O)C[NH2+][C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000272557285 497662031 /nfs/dbraw/zinc/66/20/31/497662031.db2.gz TZLBUWSBPRRTBG-RBDMOPTHSA-N 2 0 354.494 3.229 20 0 FGADRP C[NH+]1CCC(C)(C[NH2+]C2CCN(C(=O)c3ccccc3Cl)CC2)CC1 ZINC000272581188 497669212 /nfs/dbraw/zinc/66/92/12/497669212.db2.gz QOTBEDOXLIWBPA-UHFFFAOYSA-N 2 0 363.933 3.266 20 0 FGADRP CC(C)CC[NH+]1CCC(CNC(=O)c2sccc2C[NH+](C)C)CC1 ZINC000268132111 497683018 /nfs/dbraw/zinc/68/30/18/497683018.db2.gz PBEYWOIRDIPJDV-UHFFFAOYSA-N 2 0 351.560 3.298 20 0 FGADRP C[C@@H](NC(=O)N1CCC[N@H+](Cc2ccccc2)C[C@@H]1C)C(C)(C)C[NH+](C)C ZINC000246303481 497689906 /nfs/dbraw/zinc/68/99/06/497689906.db2.gz LTQLEBMHOZIVOR-RBUKOAKNSA-N 2 0 374.573 3.269 20 0 FGADRP COc1cc(CN2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)ccc1OCc1ccc(F)cc1 ZINC000194540765 497700168 /nfs/dbraw/zinc/70/01/68/497700168.db2.gz QMXAKMVIOGIMOA-KDURUIRLSA-N 2 0 370.468 3.407 20 0 FGADRP CC(C)Cc1ccc([C@H](CNC(=O)N2CCC(CC[NH3+])CC2)[NH+](C)C)cc1 ZINC000578368138 505923769 /nfs/dbraw/zinc/92/37/69/505923769.db2.gz DCWUSSLMMHUAAP-NRFANRHFSA-N 2 0 374.573 3.258 20 0 FGADRP CC[C@H](C)[N@H+](C)CCNC(=O)N1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000246342950 497702175 /nfs/dbraw/zinc/70/21/75/497702175.db2.gz JDZSQBOWEJILFI-IPMKNSEASA-N 2 0 352.567 3.013 20 0 FGADRP C[C@H](C[NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1)c1ccccc1 ZINC000194564913 497706619 /nfs/dbraw/zinc/70/66/19/497706619.db2.gz WYIOUTTYPUTBNQ-LJQANCHMSA-N 2 0 365.521 3.406 20 0 FGADRP CC1CC[NH+](CC(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000246389148 497716894 /nfs/dbraw/zinc/71/68/94/497716894.db2.gz OEMXTDXDARIEKW-FPOVZHCZSA-N 2 0 357.542 3.230 20 0 FGADRP CC[NH+](CC)Cc1ccccc1CNC(=O)N(C)[C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000246395851 497719429 /nfs/dbraw/zinc/71/94/29/497719429.db2.gz JPBJKEZFKOSGCF-RXVVDRJESA-N 2 0 374.573 3.400 20 0 FGADRP CC[NH+](CC)Cc1ccccc1CNC(=O)N(C)[C@@H]1CC[N@H+](CC)C[C@@H]1C ZINC000246395848 497719724 /nfs/dbraw/zinc/71/97/24/497719724.db2.gz JPBJKEZFKOSGCF-GHTZIAJQSA-N 2 0 374.573 3.400 20 0 FGADRP CC(=O)Nc1ccc([C@@H](C)[NH2+]CCc2ccc(OCC[NH+](C)C)cc2)cc1 ZINC000272755199 497721983 /nfs/dbraw/zinc/72/19/83/497721983.db2.gz OPDRXYUPIBEELI-QGZVFWFLSA-N 2 0 369.509 3.479 20 0 FGADRP O=C(CCC1CC[NH2+]CC1)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000263171304 497722502 /nfs/dbraw/zinc/72/25/02/497722502.db2.gz FTIDADGTEBVCOE-HSZRJFAPSA-N 2 0 369.553 3.281 20 0 FGADRP O=C([C@@H]1CCC[N@@H+]1Cc1ccccc1)N1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246410059 497723840 /nfs/dbraw/zinc/72/38/40/497723840.db2.gz KWJIUITUUAEXLQ-NNWRFLSQSA-N 2 0 367.537 3.126 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)CC(=O)N(Cc2ccc(C)cc2)C2CC2)[C@@H](C)C1 ZINC000246471091 497744796 /nfs/dbraw/zinc/74/47/96/497744796.db2.gz GUUUYQZJADZOIA-RXVVDRJESA-N 2 0 357.542 3.148 20 0 FGADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)N[C@@H]2C[C@@H](C)[NH+](Cc3ccccc3)C2)C1 ZINC000246472693 497745895 /nfs/dbraw/zinc/74/58/95/497745895.db2.gz GVCFRNLCZQRFRE-HMXCVIKNSA-N 2 0 372.557 3.069 20 0 FGADRP C[C@H](C(=O)N[C@@H](C)c1ccc(F)cc1)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000194733709 497752751 /nfs/dbraw/zinc/75/27/51/497752751.db2.gz SZJSZUKKEKVHSQ-DLBZAZTESA-N 2 0 361.505 3.199 20 0 FGADRP C[C@H](NC(=O)[C@H](C)[NH+]1CCC(C[NH+]2CCCC2)CC1)c1ccc(F)cc1 ZINC000194733737 497753006 /nfs/dbraw/zinc/75/30/06/497753006.db2.gz SZJSZUKKEKVHSQ-IRXDYDNUSA-N 2 0 361.505 3.199 20 0 FGADRP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)[C@H]2CCC[N@H+](Cc3cccc(F)c3)C2)C1 ZINC000246509044 497757662 /nfs/dbraw/zinc/75/76/62/497757662.db2.gz TZGVYWSMPRBWOK-DFQSSKMNSA-N 2 0 361.505 3.027 20 0 FGADRP CC(C)[C@H](C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCCCC1 ZINC000194750727 497760212 /nfs/dbraw/zinc/76/02/12/497760212.db2.gz URCDHHZUKIOWMI-LEWJYISDSA-N 2 0 357.542 3.135 20 0 FGADRP C[C@H]1C[NH+](CC2CCN(Cc3ccc(Br)o3)CC2)C[C@H](C)O1 ZINC000191280360 497766608 /nfs/dbraw/zinc/76/66/08/497766608.db2.gz QFBKXUKQCXEUAV-KBPBESRZSA-N 2 0 371.319 3.363 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccccc1 ZINC000246533965 497766763 /nfs/dbraw/zinc/76/67/63/497766763.db2.gz XWQOPLREEPZNLB-YSIASYRMSA-N 2 0 360.546 3.194 20 0 FGADRP C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N2CCC[C@@H]([NH+](C)C)C2)C1 ZINC000246545614 497769743 /nfs/dbraw/zinc/76/97/43/497769743.db2.gz XXBLQHRSLFDVGH-WIYYLYMNSA-N 2 0 372.557 3.154 20 0 FGADRP C[C@H](C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1)[C@H]([NH3+])c1ccccc1 ZINC000246578616 497780344 /nfs/dbraw/zinc/78/03/44/497780344.db2.gz VNDUNEIJUMIXQZ-WMQCIHAUSA-N 2 0 351.494 3.103 20 0 FGADRP COc1ccc([C@H](C)[NH2+]Cc2cccc(C(=O)NCC[NH+](C)C)c2)cc1C ZINC000273125474 497801802 /nfs/dbraw/zinc/80/18/02/497801802.db2.gz YUWQYPCROXACQJ-KRWDZBQOSA-N 2 0 369.509 3.146 20 0 FGADRP C[C@H](CC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)[C@H]1CCC[NH2+]C1 ZINC000246704757 497801856 /nfs/dbraw/zinc/80/18/56/497801856.db2.gz WOCNUTYVFFAQDK-YXYSEUPNSA-N 2 0 357.542 3.182 20 0 FGADRP O=C([C@@H]1CCC[N@H+](Cc2ccccc2)C1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000246717856 497803654 /nfs/dbraw/zinc/80/36/54/497803654.db2.gz UQYFJQSNYSKUGF-FGZHOGPDSA-N 2 0 369.553 3.376 20 0 FGADRP COc1ccc(Cl)cc1NC(=O)CC[N@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000263699760 497809615 /nfs/dbraw/zinc/80/96/15/497809615.db2.gz NBLWRSUKWVGZDP-UHFFFAOYSA-N 2 0 367.921 3.482 20 0 FGADRP C[C@@H]([NH2+]Cc1cccc(OCC[NH+](C)C)c1)c1ccc(C(=O)N(C)C)cc1 ZINC000292169520 497907334 /nfs/dbraw/zinc/90/73/34/497907334.db2.gz OAWFNNLOUAMFDO-QGZVFWFLSA-N 2 0 369.509 3.180 20 0 FGADRP CC(C)C[C@H](CNC(=O)N1CCC[C@H](C[NH3+])C1)[NH2+][C@@H](C)c1ccccc1 ZINC000581299837 505955827 /nfs/dbraw/zinc/95/58/27/505955827.db2.gz KFNPEMYGDXBDAS-NLWGTHIKSA-N 2 0 360.546 3.132 20 0 FGADRP C[C@H]([NH2+]Cc1ccc(OCC[NH+](C)C)cc1)c1ccc(C(=O)N(C)C)cc1 ZINC000292353538 497982855 /nfs/dbraw/zinc/98/28/55/497982855.db2.gz YIBFZYHXXSHLTH-KRWDZBQOSA-N 2 0 369.509 3.180 20 0 FGADRP C[C@@H]([NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1cncc(Br)c1 ZINC000578523921 505960484 /nfs/dbraw/zinc/96/04/84/505960484.db2.gz VLQYBRRDMKKGOC-RBSFLKMASA-N 2 0 370.335 3.384 20 0 FGADRP Cc1ccccc1C[NH+]1CCC(NC(=O)N(C)CCC[NH+]2CCCC2)CC1 ZINC000281066989 498008193 /nfs/dbraw/zinc/00/81/93/498008193.db2.gz SJSKUOGDMHHZID-UHFFFAOYSA-N 2 0 372.557 3.087 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000575351899 505966443 /nfs/dbraw/zinc/96/64/43/505966443.db2.gz JWAARCRRCJKAIS-DBXWQHBBSA-N 2 0 372.557 3.378 20 0 FGADRP Cc1ccc([C@H](CNC(=O)N2CC(C)(C)[C@H]2c2nccn2C)[NH+](C)C)cc1 ZINC000296435956 498041897 /nfs/dbraw/zinc/04/18/97/498041897.db2.gz TYSQDGQWTSKABW-ZWKOTPCHSA-N 2 0 369.513 3.124 20 0 FGADRP C[NH+](C)Cc1ccc(C(=O)NC[C@@H]2CC[N@H+](C)[C@H]2c2cccs2)cc1 ZINC000364618873 498053952 /nfs/dbraw/zinc/05/39/52/498053952.db2.gz AYOKRAGCTAETBS-PKOBYXMFSA-N 2 0 357.523 3.233 20 0 FGADRP C[S@](=O)C1(C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CCC1 ZINC000281219097 498060679 /nfs/dbraw/zinc/06/06/79/498060679.db2.gz ZJXCEPSSBOMVOV-KSYXXAMZSA-N 2 0 360.567 3.178 20 0 FGADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)N[C@H](c1nccn1C)C1CC1 ZINC000581387717 505976472 /nfs/dbraw/zinc/97/64/72/505976472.db2.gz INVVOBMMHCSMNO-IBGZPJMESA-N 2 0 369.513 3.165 20 0 FGADRP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)NC[C@@H]1CCC[NH+](C)[C@H]1c1cccs1 ZINC000581403064 505980352 /nfs/dbraw/zinc/98/03/52/505980352.db2.gz ZCQPLXDXDVAXFE-SOLBZPMBSA-N 2 0 366.575 3.159 20 0 FGADRP CC[NH+]1CCN(Cc2ccccc2C[NH2+][C@H](C)c2cc(C)ccn2)CC1 ZINC000285532752 498118229 /nfs/dbraw/zinc/11/82/29/498118229.db2.gz FNWLWZFXRMDOPT-LJQANCHMSA-N 2 0 352.526 3.378 20 0 FGADRP COC(=O)c1cc([C@@H](C)[NH+]2CCC(OCC[NH+]3CCCC3)CC2)oc1C ZINC000292776901 498143414 /nfs/dbraw/zinc/14/34/14/498143414.db2.gz YTIWIIQTQKPLTO-OAHLLOKOSA-N 2 0 364.486 3.012 20 0 FGADRP CCOc1cc(C[NH+]2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)ccc1OC(F)F ZINC000569693725 505995336 /nfs/dbraw/zinc/99/53/36/505995336.db2.gz YLXKYOUKVKWZKP-QAPCUYQASA-N 2 0 370.440 3.015 20 0 FGADRP CCC(C)(C)[NH2+][C@H](C)C(=O)NC[C@@H](c1ccc(SC)cc1)[NH+](C)C ZINC000569699050 505996977 /nfs/dbraw/zinc/99/69/77/505996977.db2.gz HUHVZOHBLZMXDL-PBHICJAKSA-N 2 0 351.560 3.294 20 0 FGADRP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]C[C@@H](O)COc2cc(Cl)ccc2Cl)C1 ZINC000581484136 505998681 /nfs/dbraw/zinc/99/86/81/505998681.db2.gz VFTTXXHOMKPAMC-RBSFLKMASA-N 2 0 361.313 3.196 20 0 FGADRP C[NH+](C)CCc1ccc(C[NH2+]CCC(=O)Nc2cc(F)cc(F)c2)cc1 ZINC000581484416 505998732 /nfs/dbraw/zinc/99/87/32/505998732.db2.gz ISOHKQCMWGZZKN-UHFFFAOYSA-N 2 0 361.436 3.187 20 0 FGADRP O[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+][C@H]2CCCc3nc(Cl)ccc32)CC1 ZINC000296907038 498246388 /nfs/dbraw/zinc/24/63/88/498246388.db2.gz PFNQDVUNKDTFGO-QXAKKESOSA-N 2 0 363.933 3.470 20 0 FGADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H](Cc1ccncc1)c1ccc(OC)cc1 ZINC000285937693 498247478 /nfs/dbraw/zinc/24/74/78/498247478.db2.gz FPAVTPFVUNPKCV-YADHBBJMSA-N 2 0 371.525 3.320 20 0 FGADRP CC[C@H](C(=O)NC1CC[NH+](C2CCCC2)CC1)[N@H+](C)Cc1ccccc1 ZINC000569748522 506006970 /nfs/dbraw/zinc/00/69/70/506006970.db2.gz UXLRBUCTCXDJKX-OAQYLSRUSA-N 2 0 357.542 3.420 20 0 FGADRP C[N@H+](Cc1cc(-c2ccc(F)cc2)no1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000360474072 498279022 /nfs/dbraw/zinc/27/90/22/498279022.db2.gz YAIJRHIVCZQTFL-IBGZPJMESA-N 2 0 372.488 3.081 20 0 FGADRP C[C@@H]1C[C@H](N[C@H](CC(N)=O)c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000293169916 498292670 /nfs/dbraw/zinc/29/26/70/498292670.db2.gz WCQLQFOQHRCSFT-DUXKGJEZSA-N 2 0 351.494 3.246 20 0 FGADRP C[C@@H]1C[C@@H](N[C@@H](CC(N)=O)c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000293169942 498293100 /nfs/dbraw/zinc/29/31/00/498293100.db2.gz WCQLQFOQHRCSFT-QMMLZNLJSA-N 2 0 351.494 3.246 20 0 FGADRP CC(C)C[NH+]1CCC([NH2+]C[C@H](O)CO[C@H]2CCCc3ccccc32)CC1 ZINC000578759146 506014711 /nfs/dbraw/zinc/01/47/11/506014711.db2.gz RPGYYXMDQCTZTP-UNMCSNQZSA-N 2 0 360.542 3.152 20 0 FGADRP C[NH+](C)CCc1ccc(C(=O)NCc2cccc(C[NH+]3CCCC3)c2)cc1 ZINC000578762664 506015439 /nfs/dbraw/zinc/01/54/39/506015439.db2.gz AHSSKWQVSZLDEK-UHFFFAOYSA-N 2 0 365.521 3.317 20 0 FGADRP COc1ccc([C@@H]2[C@@H](CNC3C[C@H]4CC[C@@H](C3)[N@H+]4C)CCC[NH+]2C)cc1 ZINC000365236261 498366789 /nfs/dbraw/zinc/36/67/89/498366789.db2.gz SLUWCCOPPPQCTL-WXMLPMSMSA-N 2 0 357.542 3.293 20 0 FGADRP O=C(c1cccc(CN2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@@H]3C2)c1)N1CCCCC1 ZINC000361479803 498397629 /nfs/dbraw/zinc/39/76/29/498397629.db2.gz XHJMVQNOEGYQIF-VSKRKVRLSA-N 2 0 367.537 3.229 20 0 FGADRP Cc1cc([C@@H](C)[NH2+][C@H](C)CN2CC[NH+](C)CC2)sc1Br ZINC000286456479 498403512 /nfs/dbraw/zinc/40/35/12/498403512.db2.gz KEBHGTRGOICFHV-CHWSQXEVSA-N 2 0 360.365 3.106 20 0 FGADRP COc1cccc(OC)c1Oc1ccc(C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)cn1 ZINC000581617942 506029534 /nfs/dbraw/zinc/02/95/34/506029534.db2.gz KNDFUSUHLHDKIW-JKSUJKDBSA-N 2 0 357.454 3.251 20 0 FGADRP Cn1cc(-c2ccc(C[NH2+]Cc3ccc(OCC[NH+](C)C)cc3)s2)cn1 ZINC000282189874 498417220 /nfs/dbraw/zinc/41/72/20/498417220.db2.gz HCDMDAIMTOPWDM-UHFFFAOYSA-N 2 0 370.522 3.379 20 0 FGADRP CN(CC1(C)CC[NH+](Cc2ccccc2)CC1)C(=O)CC[C@@H]1CC[NH2+]C1 ZINC000361696442 498420489 /nfs/dbraw/zinc/42/04/89/498420489.db2.gz PLOVFFBSEHUALQ-LJQANCHMSA-N 2 0 357.542 3.137 20 0 FGADRP C[N@@H+]1CCC[C@H](CNC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@@H]1c1cccs1 ZINC000361720322 498423980 /nfs/dbraw/zinc/42/39/80/498423980.db2.gz XWDBPLWJUKMTAD-VGJDIJDESA-N 2 0 361.555 3.168 20 0 FGADRP CCOc1ccc(OCC)c(NC(=[NH2+])NCC2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000361805256 498434210 /nfs/dbraw/zinc/43/42/10/498434210.db2.gz YPPWOFXPBPLDLZ-MQVJKMGUSA-N 2 0 360.502 3.293 20 0 FGADRP C[NH+](C)CC1(C(=O)Nc2cccc(C[NH+]3CCC(O)CC3)c2)CCCCC1 ZINC000331757804 498443447 /nfs/dbraw/zinc/44/34/47/498443447.db2.gz APCWADWUGDSXGZ-UHFFFAOYSA-N 2 0 373.541 3.094 20 0 FGADRP [NH3+][C@H]1CCC[C@@H](CNC(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)C1 ZINC000572737973 506040343 /nfs/dbraw/zinc/04/03/43/506040343.db2.gz ZQKUMPBIZAYFKP-CTNGQTDRSA-N 2 0 372.557 3.379 20 0 FGADRP C[NH+](C)Cc1ccccc1C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000365467522 498482239 /nfs/dbraw/zinc/48/22/39/498482239.db2.gz HEQJGOUGSGOOIK-UHFFFAOYSA-N 2 0 369.484 3.282 20 0 FGADRP COc1cccc(OC)c1OCCCC[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000290275787 498491382 /nfs/dbraw/zinc/49/13/82/498491382.db2.gz LVMLLUPCFFYODD-KRWDZBQOSA-N 2 0 350.503 3.136 20 0 FGADRP COc1ccc2c(c1F)CC[C@@H]2[NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000290319508 498507033 /nfs/dbraw/zinc/50/70/33/498507033.db2.gz OEGRYGCXZONRGT-FHWLQOOXSA-N 2 0 362.489 3.179 20 0 FGADRP C[C@@]1(CNC(=O)Nc2ccc(C[NH3+])cc2)CCC[N@@H+]1Cc1ccccc1 ZINC000575971173 506045665 /nfs/dbraw/zinc/04/56/65/506045665.db2.gz LBPCOBZJGHQJAE-NRFANRHFSA-N 2 0 352.482 3.322 20 0 FGADRP C[C@H]([NH2+]C1(CNC(=O)N2CC[C@@H]([NH3+])[C@H](C)C2)CCCC1)c1ccccc1 ZINC000569911929 506045883 /nfs/dbraw/zinc/04/58/83/506045883.db2.gz FSYBMWQRKVKTIH-ZIFCJYIRSA-N 2 0 358.530 3.029 20 0 FGADRP COCC1(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CCOCC1 ZINC000293860290 498513913 /nfs/dbraw/zinc/51/39/13/498513913.db2.gz XSZUDGXEMSTHFN-WKCHPHFGSA-N 2 0 358.526 3.215 20 0 FGADRP C[C@@H](C[NH2+]C[C@@H](C)c1ccc(C(F)(F)F)cc1)CN1CC[NH+](C)CC1 ZINC000290556412 498596709 /nfs/dbraw/zinc/59/67/09/498596709.db2.gz ZJKYDXGVUDAOTF-JKSUJKDBSA-N 2 0 357.464 3.282 20 0 FGADRP COc1cccc(C[N@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)c1 ZINC000363039780 498617059 /nfs/dbraw/zinc/61/70/59/498617059.db2.gz FMWQSGVRPYYZCG-UHFFFAOYSA-N 2 0 359.558 3.323 20 0 FGADRP C[C@H](CNC(=O)NCCCC[N@@H+]1CCCC[C@H]1C)[NH+]1CCC(C)CC1 ZINC000302959687 498634969 /nfs/dbraw/zinc/63/49/69/498634969.db2.gz FUVKUXWZVYJIGW-RTBURBONSA-N 2 0 352.567 3.061 20 0 FGADRP c1cc(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)cc(N2CCCCC2)n1 ZINC000294314444 498654428 /nfs/dbraw/zinc/65/44/28/498654428.db2.gz WDLYYUNOLZQJRU-UHFFFAOYSA-N 2 0 351.498 3.226 20 0 FGADRP O=C(NC[C@H]1CCCC[N@@H+]1Cc1ccc2c(c1)C[NH2+]CC2)c1ccccc1 ZINC000581829506 506069266 /nfs/dbraw/zinc/06/92/66/506069266.db2.gz WABCJWQBFBPJFA-JOCHJYFZSA-N 2 0 363.505 3.117 20 0 FGADRP C[C@@H]1CCC[C@@](CNC(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)([NH+](C)C)C1 ZINC000303248910 498657559 /nfs/dbraw/zinc/65/75/59/498657559.db2.gz BLUMNOHIELNNHS-SVFBPWRDSA-N 2 0 364.578 3.157 20 0 FGADRP C[C@@H]1CCC[C@](CNC(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)([NH+](C)C)C1 ZINC000303248895 498657771 /nfs/dbraw/zinc/65/77/71/498657771.db2.gz BLUMNOHIELNNHS-DYXWJJEUSA-N 2 0 364.578 3.157 20 0 FGADRP Cc1ccc([C@@H](CNC(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)[NH+](C)C)cc1 ZINC000303269753 498659577 /nfs/dbraw/zinc/65/95/77/498659577.db2.gz HAOLEYCIPHJMCR-LEWJYISDSA-N 2 0 372.557 3.258 20 0 FGADRP C[NH+]1CCC(CC(=O)N2CCC[C@@H]2[C@H]2CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000365879667 498684820 /nfs/dbraw/zinc/68/48/20/498684820.db2.gz KIPWNAQXKCNVJI-FGZHOGPDSA-N 2 0 369.553 3.374 20 0 FGADRP C[C@H](CNC(=O)NCc1ccccc1C[NH+]1CCCCCC1)[N@H+](C)C1CC1 ZINC000303536088 498688198 /nfs/dbraw/zinc/68/81/98/498688198.db2.gz SGCXJAXKWRCZSQ-GOSISDBHSA-N 2 0 372.557 3.345 20 0 FGADRP COc1c(C)cc(C[NH2+]C[C@H]2CCCN(C)[C@H]2c2cnn(C)c2)cc1C ZINC000363177850 498689196 /nfs/dbraw/zinc/68/91/96/498689196.db2.gz ZBDIOPILZORBNQ-UYAOXDASSA-N 2 0 356.514 3.218 20 0 FGADRP Cc1ccc(NC(=O)N2CC[C@@H]([NH+]3CCCC3)[C@H]2C)c(OCC[NH+](C)C)c1 ZINC000287268908 498695303 /nfs/dbraw/zinc/69/53/03/498695303.db2.gz LCCQXKGYKFSRCI-IEBWSBKVSA-N 2 0 374.529 3.026 20 0 FGADRP Cc1ccc(NC(=O)N2CC[C@H]([NH+]3CCCC3)[C@@H]2C)c(OCC[NH+](C)C)c1 ZINC000287268902 498695359 /nfs/dbraw/zinc/69/53/59/498695359.db2.gz LCCQXKGYKFSRCI-HKUYNNGSSA-N 2 0 374.529 3.026 20 0 FGADRP C[C@@H](CCc1ccc2c(c1)OCO2)[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000298260371 498712332 /nfs/dbraw/zinc/71/23/32/498712332.db2.gz FLURLJMTUKIPSC-INIZCTEOSA-N 2 0 353.466 3.390 20 0 FGADRP C[C@@H]1c2ccccc2O[C@@H]1C[NH2+][C@H]1CCN(Cc2ccccn2)C[C@H]1C ZINC000366018200 498735810 /nfs/dbraw/zinc/73/58/10/498735810.db2.gz SLKITSPPJWVFJA-IZDLNVGJSA-N 2 0 351.494 3.446 20 0 FGADRP c1ccc([C@@H](C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)N2CCCC2)cc1 ZINC000298392321 498756162 /nfs/dbraw/zinc/75/61/62/498756162.db2.gz GXZKLKUJTLERBY-JOCHJYFZSA-N 2 0 350.510 3.477 20 0 FGADRP COc1cc(C[NH2+][C@@H](C)c2ccc(C[NH3+])nc2C)ccc1OC(F)F ZINC000576146493 506087668 /nfs/dbraw/zinc/08/76/68/506087668.db2.gz FOXZHESHJSTSOM-NSHDSACASA-N 2 0 351.397 3.310 20 0 FGADRP C[C@@H]1CN(c2ccccc2C[NH2+]Cc2ccc(F)c(C[NH+](C)C)c2)CCO1 ZINC000298584983 498819987 /nfs/dbraw/zinc/81/99/87/498819987.db2.gz YBKFHTMHFYBLHQ-QGZVFWFLSA-N 2 0 371.500 3.402 20 0 FGADRP C[C@H](C[NH2+][C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@@H]1C)Oc1ccccc1F ZINC000366212149 498826311 /nfs/dbraw/zinc/82/63/11/498826311.db2.gz UKNHSOXZBXVJIJ-MJQMVNBJSA-N 2 0 350.478 3.072 20 0 FGADRP CCC[NH+]1CCN(C2CC[NH+](CCOc3ccc(Cl)cc3)CC2)CC1 ZINC000363495708 498848867 /nfs/dbraw/zinc/84/88/67/498848867.db2.gz KWUFQDOYPPNFTB-UHFFFAOYSA-N 2 0 365.949 3.211 20 0 FGADRP C[C@@H]1C[C@H](NC(=O)Nc2ccc3c(c2)C[NH2+]C3)CC[N@@H+]1Cc1ccccc1 ZINC000570145950 506101041 /nfs/dbraw/zinc/10/10/41/506101041.db2.gz VDVYRIQFNDFZHQ-IIBYNOLFSA-N 2 0 364.493 3.464 20 0 FGADRP C[N@@H+]1CC[C@@H](CNC(=O)c2ccc(C[NH3+])cc2)[C@H]1c1cccc(Cl)c1 ZINC000366331378 498878277 /nfs/dbraw/zinc/87/82/77/498878277.db2.gz VREHVSDIWKFYJW-PKOBYXMFSA-N 2 0 357.885 3.222 20 0 FGADRP [NH3+]CCC1CC[NH+](CCC(=O)N[C@@H](c2cccs2)c2ccccc2)CC1 ZINC000573098392 506118612 /nfs/dbraw/zinc/11/86/12/506118612.db2.gz WQEFMNHUQCZRQB-OAQYLSRUSA-N 2 0 371.550 3.405 20 0 FGADRP Cc1cccc(C)c1[C@@H](C)[NH2+][C@@H](C)C(=O)N1CCN(c2ccccn2)CC1 ZINC000576271305 506117830 /nfs/dbraw/zinc/11/78/30/506117830.db2.gz VJSBWOGTXXXPHS-MOPGFXCFSA-N 2 0 366.509 3.086 20 0 FGADRP COc1cccc(C[C@H](C)[NH2+]C[C@H](O)Cn2cnc3cc(C)c(C)cc32)c1 ZINC000576271791 506117886 /nfs/dbraw/zinc/11/78/86/506117886.db2.gz JYRCMWGMSWPMHT-HKUYNNGSSA-N 2 0 367.493 3.243 20 0 FGADRP C[C@H](NC(=O)N1CCC(CC[NH+](C)C)CC1)[C@H](c1ccccc1)[NH+](C)C ZINC000288185859 498962804 /nfs/dbraw/zinc/96/28/04/498962804.db2.gz PXFRACJNOKSGFN-FXAWDEMLSA-N 2 0 360.546 3.051 20 0 FGADRP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+]CCc1c[nH]c2ccc(F)cc12 ZINC000363786354 498992249 /nfs/dbraw/zinc/99/22/49/498992249.db2.gz FWLNRSJVZWBUAA-MOXGXCLJSA-N 2 0 359.489 3.329 20 0 FGADRP Cc1nn(C)c(N2CCC[N@H+](C)CC2)c1C[NH2+][C@@H](C)[C@@H](C)c1ccccc1 ZINC000363788811 498994382 /nfs/dbraw/zinc/99/43/82/498994382.db2.gz YCZJUKVZTNXMFM-MSOLQXFVSA-N 2 0 369.557 3.152 20 0 FGADRP C[NH+]1CCN(c2cccc(Cl)c2CNCc2noc3c2CCCC3)CC1 ZINC000288400005 499015239 /nfs/dbraw/zinc/01/52/39/499015239.db2.gz HWXVZDCFXKMPDW-UHFFFAOYSA-N 2 0 374.916 3.248 20 0 FGADRP CC1CC[NH+](C2CCC(NC(=O)c3cnn(-c4ccncc4)c3)CC2)CC1 ZINC000295469251 499027992 /nfs/dbraw/zinc/02/79/92/499027992.db2.gz OTYZCDIAAHJBLJ-UHFFFAOYSA-N 2 0 367.497 3.040 20 0 FGADRP CN(C)c1cc[nH+]cc1C(=O)N1CCC[C@@H]([N@H+](C)Cc2ccccc2)CC1 ZINC000363883249 499038830 /nfs/dbraw/zinc/03/88/30/499038830.db2.gz KHMYMDOVBQNQSG-LJQANCHMSA-N 2 0 366.509 3.274 20 0 FGADRP COc1cc(CNC[C@@H](C)C[NH+](C)C)ccc1OCc1c(C)noc1C ZINC000291701704 499040231 /nfs/dbraw/zinc/04/02/31/499040231.db2.gz KGOFODSAOYUVTH-CQSZACIVSA-N 2 0 361.486 3.166 20 0 FGADRP CCCC[N@H+](C)C[C@@H](C)NC(=O)N(Cc1ccco1)C1CC[NH+](C)CC1 ZINC000291763727 499060062 /nfs/dbraw/zinc/06/00/62/499060062.db2.gz UXRVMHWMOHULQV-QGZVFWFLSA-N 2 0 364.534 3.006 20 0 FGADRP c1cc(C[N@@H+]2CCC[C@]23CCOC3)ccc1C[NH+]1CCC[C@@]12CCOC2 ZINC000366941233 499119832 /nfs/dbraw/zinc/11/98/32/499119832.db2.gz AMBQUGUGSBPGQG-SZPZYZBQSA-N 2 0 356.510 3.196 20 0 FGADRP C[N@H+](C[C@@H]1CC12CC[NH+](C[C@@H](O)c1cc(F)ccc1F)CC2)C1CC1 ZINC000367310756 499178656 /nfs/dbraw/zinc/17/86/56/499178656.db2.gz UYPKAJDWMRDTAD-IFXJQAMLSA-N 2 0 350.453 3.195 20 0 FGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+]C2CC(c3cc(F)cc(F)c3)C2)CC1 ZINC000367373207 499190287 /nfs/dbraw/zinc/19/02/87/499190287.db2.gz WUGPRLHHXMMUER-XRTORIHISA-N 2 0 351.485 3.074 20 0 FGADRP O=C(Cc1ccccc1)N1CC[C@@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)C1 ZINC000367433015 499198447 /nfs/dbraw/zinc/19/84/47/499198447.db2.gz YNQFQYACYQKHAT-OAQYLSRUSA-N 2 0 369.553 3.217 20 0 FGADRP c1nc2n(c1C[NH2+][C@@H]1CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]31)CCCC2 ZINC000367437857 499199121 /nfs/dbraw/zinc/19/91/21/499199121.db2.gz KADOQXTXINLRQF-CEWLAPEOSA-N 2 0 350.510 3.220 20 0 FGADRP Cc1cccc2ncc(C[NH2+]Cc3ccc(OC4CC[NH+](C)CC4)cc3)n21 ZINC000370276580 499204847 /nfs/dbraw/zinc/20/48/47/499204847.db2.gz OOJKTTKQXKZOID-UHFFFAOYSA-N 2 0 364.493 3.406 20 0 FGADRP CC[NH+](CC)CCOc1ccc(C[NH2+][C@H]2CCCc3n[nH]cc32)cc1OC ZINC000367607304 499216908 /nfs/dbraw/zinc/21/69/08/499216908.db2.gz NMVFALPHNILPPN-SFHVURJKSA-N 2 0 372.513 3.306 20 0 FGADRP COc1ccc(-c2ccncc2)cc1C[NH2+]C[C@@H]1CN2CCCC[C@@H]2CO1 ZINC000370421551 499219459 /nfs/dbraw/zinc/21/94/59/499219459.db2.gz OOFYHTLHWDBFQX-NHCUHLMSSA-N 2 0 367.493 3.100 20 0 FGADRP C[C@@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccccc1Br ZINC000370625475 499236845 /nfs/dbraw/zinc/23/68/45/499236845.db2.gz YLNVFFIVDRCBSG-CABCVRRESA-N 2 0 366.347 3.268 20 0 FGADRP CC[C@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccccc1OC(F)F ZINC000370635229 499238107 /nfs/dbraw/zinc/23/81/07/499238107.db2.gz OIERNKGZUXSONS-YJBOKZPZSA-N 2 0 367.484 3.497 20 0 FGADRP C[C@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)c1cccc(OC(F)(F)F)c1 ZINC000370634731 499238179 /nfs/dbraw/zinc/23/81/79/499238179.db2.gz MKRJWHCVRHBZCG-HOCLYGCPSA-N 2 0 371.447 3.404 20 0 FGADRP Cn1ncc2c1CCC[C@H]2[NH2+]CC1CC[NH+](CCc2ccccc2)CC1 ZINC000370636725 499238435 /nfs/dbraw/zinc/23/84/35/499238435.db2.gz IXGLVCHTKKUEQM-OAQYLSRUSA-N 2 0 352.526 3.342 20 0 FGADRP CC[NH+](CC)[C@H](CN[C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@H]1C)c1ccco1 ZINC000370650506 499239854 /nfs/dbraw/zinc/23/98/54/499239854.db2.gz DSPPKHDRHGHFQP-IYWMVGAKSA-N 2 0 363.546 3.142 20 0 FGADRP NC(=O)c1cccc(C[NH+]2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)c1 ZINC000370650988 499239981 /nfs/dbraw/zinc/23/99/81/499239981.db2.gz OHCHWFIHUSYPNI-UHFFFAOYSA-N 2 0 363.505 3.274 20 0 FGADRP COc1ccc(C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)c2ccccc12 ZINC000370698971 499245835 /nfs/dbraw/zinc/24/58/35/499245835.db2.gz KISJEAGISXEUIV-XMSQKQJNSA-N 2 0 367.537 3.306 20 0 FGADRP C[C@H]1CN(Cc2cc(Cl)cc(Cl)c2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000370707845 499246734 /nfs/dbraw/zinc/24/67/34/499246734.db2.gz OUTGIZKSUVDOMN-KSSFIOAISA-N 2 0 356.341 3.451 20 0 FGADRP CC(C)[C@H]([NH3+])C(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000370776373 499253503 /nfs/dbraw/zinc/25/35/03/499253503.db2.gz ZZNXWGJCRLANFH-PVAVHDDUSA-N 2 0 371.447 3.188 20 0 FGADRP CC1CC[NH+](C2CCC([NH2+]Cc3cnc(C4OCCO4)s3)CC2)CC1 ZINC000368027975 499256913 /nfs/dbraw/zinc/25/69/13/499256913.db2.gz BAXCCBOLSCWILL-UHFFFAOYSA-N 2 0 365.543 3.321 20 0 FGADRP Cc1cccc2c1[nH+]cc(C)c2N1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000368493202 499301618 /nfs/dbraw/zinc/30/16/18/499301618.db2.gz IBJUJKNBHODKQL-AZUAARDMSA-N 2 0 352.526 3.314 20 0 FGADRP C[NH+](C)CCOc1cc(C[NH2+][C@@H]2CCC[C@H](c3cccnc3)C2)ccn1 ZINC000368520483 499303990 /nfs/dbraw/zinc/30/39/90/499303990.db2.gz VTTUCBRDMLCZLA-AZUAARDMSA-N 2 0 354.498 3.233 20 0 FGADRP O=C(CC1CC[NH2+]CC1)N1CCC[C@H]1[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000371270571 499304576 /nfs/dbraw/zinc/30/45/76/499304576.db2.gz GAPDDYBFGDUASW-SFTDATJTSA-N 2 0 355.526 3.032 20 0 FGADRP C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000369062601 499361699 /nfs/dbraw/zinc/36/16/99/499361699.db2.gz HRIYWHJSVGEYKF-QAPCUYQASA-N 2 0 369.475 3.395 20 0 FGADRP CCC[NH+]1CCN(C2CC[NH+](CCCOc3ccc(F)cc3)CC2)CC1 ZINC000369158503 499372160 /nfs/dbraw/zinc/37/21/60/499372160.db2.gz YAGHKHMRKKXZAU-UHFFFAOYSA-N 2 0 363.521 3.087 20 0 FGADRP C[NH+]1CCC2(CCCN2C(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)CC1 ZINC000369759388 499441127 /nfs/dbraw/zinc/44/11/27/499441127.db2.gz GWRQVDNLVNYETD-GOSISDBHSA-N 2 0 374.529 3.076 20 0 FGADRP CO[C@H](c1ccccc1)[C@H](C)[NH2+]C[C@H]1CCCN(C)[C@@H]1c1cnn(C)c1 ZINC000373366184 499465576 /nfs/dbraw/zinc/46/55/76/499465576.db2.gz PYUACQPCKLJSEM-OFCAXSSNSA-N 2 0 356.514 3.169 20 0 FGADRP CCOC(=O)C1CCC([NH2+]Cc2ccc(OC3CC[NH+](C)CC3)cc2)CC1 ZINC000375301977 499504890 /nfs/dbraw/zinc/50/48/90/499504890.db2.gz IZMUGTJCPHZBAI-UHFFFAOYSA-N 2 0 374.525 3.371 20 0 FGADRP C[N@H+](Cc1cc(Br)cs1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000378425002 499515727 /nfs/dbraw/zinc/51/57/27/499515727.db2.gz FUOBBBSAOIRORZ-HNNXBMFYSA-N 2 0 372.376 3.111 20 0 FGADRP COC(=O)c1cc(C[NH2+][C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)n(C)c1C ZINC000380460988 499543782 /nfs/dbraw/zinc/54/37/82/499543782.db2.gz PDHDXLZUJRPUNR-QFBILLFUSA-N 2 0 369.509 3.120 20 0 FGADRP CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@H]([NH3+])CC1CCCCC1 ZINC000382724668 499546183 /nfs/dbraw/zinc/54/61/83/499546183.db2.gz RCNGBJKGQMIDAK-RTWAWAEBSA-N 2 0 357.542 3.265 20 0 FGADRP Cc1cc(C)cc(OC[C@@H](O)C[NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000383705808 499546906 /nfs/dbraw/zinc/54/69/06/499546906.db2.gz FGVLAWACRBHFAL-VXKWHMMOSA-N 2 0 368.521 3.155 20 0 FGADRP CN(c1ccccc1C[NH2+]Cc1cnn2ccccc12)C1CC[NH+](C)CC1 ZINC000375770351 499554096 /nfs/dbraw/zinc/55/40/96/499554096.db2.gz SYPLSSBWJBGXRR-UHFFFAOYSA-N 2 0 363.509 3.155 20 0 FGADRP C[C@@H](CCc1ccc(O)cc1)[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000397495050 499564050 /nfs/dbraw/zinc/56/40/50/499564050.db2.gz APHDYODDFSOMGY-IBGZPJMESA-N 2 0 368.521 3.330 20 0 FGADRP CC(C)[NH+]1CCN([C@H]2CC[N@H+](Cc3ccc(OC(F)(F)F)cc3)C2)CC1 ZINC000375908400 499567607 /nfs/dbraw/zinc/56/76/07/499567607.db2.gz WVMSNZWQJOLQLA-KRWDZBQOSA-N 2 0 371.447 3.186 20 0 FGADRP COc1cc(C[NH2+][C@@]2(C)CCN(Cc3ccccc3)C2)cc(OC)c1OC ZINC000405951886 499571851 /nfs/dbraw/zinc/57/18/51/499571851.db2.gz GTYZGBOSIGSSLQ-QFIPXVFZSA-N 2 0 370.493 3.467 20 0 FGADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+][C@H]3CCCN(c4ccnn4C)C3)CC2)C1 ZINC000376056436 499579280 /nfs/dbraw/zinc/57/92/80/499579280.db2.gz VVMOHHRORGQZDM-HOJAQTOUSA-N 2 0 359.562 3.022 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC000376605640 499622335 /nfs/dbraw/zinc/62/23/35/499622335.db2.gz GRUUITFJFXFKAW-MKAJOQBOSA-N 2 0 364.578 3.010 20 0 FGADRP C[NH+](C)Cc1c2ccccc2oc1C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000377194782 499669526 /nfs/dbraw/zinc/66/95/26/499669526.db2.gz IMYYRUIASXRSOW-UHFFFAOYSA-N 2 0 355.482 3.241 20 0 FGADRP CC1CC[NH+](CC2CCN(C(=O)c3ccccc3C[NH+](C)C)CC2)CC1 ZINC000377361654 499683494 /nfs/dbraw/zinc/68/34/94/499683494.db2.gz YDJLPYPCOGCGRK-UHFFFAOYSA-N 2 0 357.542 3.332 20 0 FGADRP C[NH+](C)CCOc1cnccc1C[NH2+][C@H]1CCC[C@H](c2cccnc2)C1 ZINC000377398931 499687133 /nfs/dbraw/zinc/68/71/33/499687133.db2.gz BQOASQOUMNFQQB-PXNSSMCTSA-N 2 0 354.498 3.233 20 0 FGADRP CN1CCN([C@@H]2CCCC[N@H+](Cc3cccc(-c4cccnc4)c3)C2)CC1 ZINC000377693290 499720679 /nfs/dbraw/zinc/72/06/79/499720679.db2.gz KFWWNCKALQNMCY-HSZRJFAPSA-N 2 0 364.537 3.351 20 0 FGADRP Cc1ccc([C@@H](CNC(=O)[C@H]2CCCc3nccn32)[NH+]2CCCC2)cc1 ZINC000377748540 499728126 /nfs/dbraw/zinc/72/81/26/499728126.db2.gz RTEMCVJTAHVUBM-RTBURBONSA-N 2 0 352.482 3.022 20 0 FGADRP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411401795 499734949 /nfs/dbraw/zinc/73/49/49/499734949.db2.gz RHRMNIVFGULDLB-XPWALMASSA-N 2 0 371.569 3.356 20 0 FGADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@H](Cc2ccc(F)cc2)[C@@H]2COc3ccccc3O2)C1 ZINC000573266837 506157738 /nfs/dbraw/zinc/15/77/38/506157738.db2.gz QIRVABPCEZVUSS-MOXWOTFGSA-N 2 0 370.468 3.436 20 0 FGADRP O=C1CCC[C@@H]1[C@@H]1COCCN1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411544407 499753001 /nfs/dbraw/zinc/75/30/01/499753001.db2.gz NNCCRZFXXYULLE-RTWAWAEBSA-N 2 0 356.510 3.243 20 0 FGADRP CC(C)[NH+]1CCC(NC(=O)C[NH2+][C@H]2CCCC[C@@H]2Cc2ccccc2)CC1 ZINC000411555289 499762587 /nfs/dbraw/zinc/76/25/87/499762587.db2.gz VPJDHOAWILAJPY-IRLDBZIGSA-N 2 0 371.569 3.367 20 0 FGADRP NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+][C@H]2CC[C@H](c3cccc(Cl)c3)C2)C1 ZINC000414131747 499763434 /nfs/dbraw/zinc/76/34/34/499763434.db2.gz YKJBJLXWZSCNSJ-SCTDSRPQSA-N 2 0 363.933 3.153 20 0 FGADRP CC(C)[NH+]1CCC(NC(=O)C[NH2+][C@H]2CCCC[C@H]2c2ccccc2)CC1 ZINC000411561311 499763479 /nfs/dbraw/zinc/76/34/79/499763479.db2.gz QJSGDVCYEUQHIC-SFTDATJTSA-N 2 0 357.542 3.291 20 0 FGADRP Cc1ccc([C@H]([NH2+]CC2(N3CCOCC3)CC[NH+](C)CC2)C2CCC2)cc1 ZINC000414199790 499768120 /nfs/dbraw/zinc/76/81/20/499768120.db2.gz RJVRMGPPZJCUBO-JOCHJYFZSA-N 2 0 371.569 3.222 20 0 FGADRP CCc1ccc([C@H](CC)[NH2+]CC2(N3CCOCC3)CC[NH+](C)CC2)cc1 ZINC000414201674 499768210 /nfs/dbraw/zinc/76/82/10/499768210.db2.gz SXOVZWPSOUDIJJ-NRFANRHFSA-N 2 0 359.558 3.086 20 0 FGADRP OC1(C[NH2+][C@H](c2cncc(F)c2)C2CC2)CC[NH+](Cc2ccccc2)CC1 ZINC000414299506 499775381 /nfs/dbraw/zinc/77/53/81/499775381.db2.gz HXRXNPLVWLRUCO-NRFANRHFSA-N 2 0 369.484 3.289 20 0 FGADRP C[C@@H](CCCc1cccnc1)[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000414298291 499775451 /nfs/dbraw/zinc/77/54/51/499775451.db2.gz GWVUQQVVXBDSLL-FQEVSTJZSA-N 2 0 367.537 3.410 20 0 FGADRP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1)c1ccccc1F ZINC000414326336 499778063 /nfs/dbraw/zinc/77/80/63/499778063.db2.gz NMFZOZASDIOACQ-MRXNPFEDSA-N 2 0 369.484 3.374 20 0 FGADRP C[C@H](CC1CCCC1)[NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000414327934 499778352 /nfs/dbraw/zinc/77/83/52/499778352.db2.gz PJFUBJHVCKKGBQ-QGZVFWFLSA-N 2 0 357.542 3.442 20 0 FGADRP Cc1cc(C[NH2+]CC2CC[NH+](CCN(C)C)CC2)ccc1C(F)(F)F ZINC000414338673 499778900 /nfs/dbraw/zinc/77/89/00/499778900.db2.gz YYQNZPFPUUFATG-UHFFFAOYSA-N 2 0 357.464 3.377 20 0 FGADRP CC(C)[NH+]1CCC(NC(=O)C[NH2+][C@@]2(c3ccc(Cl)cc3)C[C@@H]2C)CC1 ZINC000411699276 499779993 /nfs/dbraw/zinc/77/99/93/499779993.db2.gz YIPKTKABFLVXKU-YWZLYKJASA-N 2 0 363.933 3.154 20 0 FGADRP CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]Cc3ccc(C[NH+]4CCCCC4)cc3)[C@@H]2C1 ZINC000411738035 499784797 /nfs/dbraw/zinc/78/47/97/499784797.db2.gz RUWYWBXOOBCIBO-ZRBLBEILSA-N 2 0 369.553 3.409 20 0 FGADRP Cc1cc(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)ccc1C(F)(F)F ZINC000414411158 499788288 /nfs/dbraw/zinc/78/82/88/499788288.db2.gz PHGJMAOYCCPQFB-APWZRJJASA-N 2 0 369.475 3.472 20 0 FGADRP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+]1CC(C)(C)C[C@H]1C ZINC000412043262 499816178 /nfs/dbraw/zinc/81/61/78/499816178.db2.gz NHZKGDCHQMCGDC-MSOLQXFVSA-N 2 0 357.542 3.276 20 0 FGADRP CC(C)[N@@H+](Cc1ccc(Cl)c(Cl)c1)C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414694687 499821112 /nfs/dbraw/zinc/82/11/12/499821112.db2.gz DPHXWPYQUMKBAV-HNNXBMFYSA-N 2 0 372.340 3.401 20 0 FGADRP CCC[N@H+](C[C@H]1CC[NH2+][C@H](C)C1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000414755160 499827139 /nfs/dbraw/zinc/82/71/39/499827139.db2.gz YZQLEODARXVCSQ-MOPGFXCFSA-N 2 0 357.542 3.391 20 0 FGADRP COc1ccc(OC)c(NC(=O)C[C@H](C)[NH2+]Cc2ccc([C@H](C)[NH3+])cc2)c1 ZINC000414806440 499833133 /nfs/dbraw/zinc/83/31/33/499833133.db2.gz BSZGTJUTGPVBHU-GJZGRUSLSA-N 2 0 371.481 3.230 20 0 FGADRP COc1cc(C[NH2+]C[C@@H]2CCC[NH2+]C2)cc(OC)c1OCc1ccccc1 ZINC000414833965 499835670 /nfs/dbraw/zinc/83/56/70/499835670.db2.gz SAJJCYGAMINSHF-GOSISDBHSA-N 2 0 370.493 3.372 20 0 FGADRP C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+]CC1([NH3+])CCCCC1 ZINC000414833398 499835674 /nfs/dbraw/zinc/83/56/74/499835674.db2.gz AVESEEYAUCUBOU-ZDUSSCGKSA-N 2 0 368.319 3.417 20 0 FGADRP C[C@@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]CC1([NH3+])CCCCC1 ZINC000414834447 499835758 /nfs/dbraw/zinc/83/57/58/499835758.db2.gz BYHIAYWCUJDPGL-HNNXBMFYSA-N 2 0 351.922 3.328 20 0 FGADRP C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000414839219 499836500 /nfs/dbraw/zinc/83/65/00/499836500.db2.gz LYVYZBGSEPILSO-UONOGXRCSA-N 2 0 368.319 3.146 20 0 FGADRP Cc1cccn2cc(COc3ccc(C[NH2+][C@@H]4CC[NH2+]C[C@@H]4C)cc3)nc12 ZINC000414933254 499846182 /nfs/dbraw/zinc/84/61/82/499846182.db2.gz DKLOXMFWVFVFJN-LAUBAEHRSA-N 2 0 364.493 3.309 20 0 FGADRP [NH3+]C[C@H](NC1CC[NH+](Cc2ccncc2)CC1)c1ccc2ccccc2c1 ZINC000414944257 499847220 /nfs/dbraw/zinc/84/72/20/499847220.db2.gz PLCSHGCRBKLKBZ-QHCPKHFHSA-N 2 0 360.505 3.489 20 0 FGADRP Fc1ccc(C[NH2+]C[C@@H](N2CC[NH2+]CC2)C(F)(F)F)c(Cl)c1Cl ZINC000414963052 499849320 /nfs/dbraw/zinc/84/93/20/499849320.db2.gz CNFWEGWXJWOZFS-LLVKDONJSA-N 2 0 374.209 3.058 20 0 FGADRP [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000414967978 499849897 /nfs/dbraw/zinc/84/98/97/499849897.db2.gz CGESWSHMBKPIKA-QUCCMNQESA-N 2 0 358.530 3.354 20 0 FGADRP COCC1(C[NH2+][C@@H](C)CC(=O)Nc2ccc(C(C)C)cc2)CC[NH2+]CC1 ZINC000414973241 499850070 /nfs/dbraw/zinc/85/00/70/499850070.db2.gz KZMFTFWGVMSLLJ-KRWDZBQOSA-N 2 0 361.530 3.133 20 0 FGADRP C[C@H]1CN(C(=O)CC[C@@H]2CCCC[NH+]2C)CC[N@H+](Cc2ccccc2)C1 ZINC000412382236 499850261 /nfs/dbraw/zinc/85/02/61/499850261.db2.gz CGXWKQBWQPHVSF-CTNGQTDRSA-N 2 0 357.542 3.231 20 0 FGADRP COCC1(C[NH2+][C@H](C)CC(=O)Nc2ccc(C(C)C)cc2)CC[NH2+]CC1 ZINC000414973439 499850440 /nfs/dbraw/zinc/85/04/40/499850440.db2.gz KZMFTFWGVMSLLJ-QGZVFWFLSA-N 2 0 361.530 3.133 20 0 FGADRP COCC1(C[NH2+]Cc2cc(Br)c(Cl)s2)CC[NH2+]CC1 ZINC000414977553 499850795 /nfs/dbraw/zinc/85/07/95/499850795.db2.gz RFJBYIMNCZWWCC-UHFFFAOYSA-N 2 0 367.740 3.270 20 0 FGADRP Cc1cc(Br)cn2c(C[NH2+]C[C@H]3CCC[C@H]([NH3+])C3)cnc12 ZINC000414993279 499852500 /nfs/dbraw/zinc/85/25/00/499852500.db2.gz CJXSPXWJQJBEOM-JSGCOSHPSA-N 2 0 351.292 3.012 20 0 FGADRP COC(=O)c1cc2c(o1)c(OC)ccc2C[NH2+]C[C@H]1CC[C@H](C[NH3+])CC1 ZINC000415019515 499855747 /nfs/dbraw/zinc/85/57/47/499855747.db2.gz DZWAHZZSNKNPHW-HDJSIYSDSA-N 2 0 360.454 3.083 20 0 FGADRP Cc1cccn2cc(COc3ccc(C[NH2+][C@@H](C)CCC[NH3+])cc3)nc12 ZINC000415025777 499855941 /nfs/dbraw/zinc/85/59/41/499855941.db2.gz RPNAJAHWDUWPPM-KRWDZBQOSA-N 2 0 352.482 3.439 20 0 FGADRP CCOc1c(Br)cc(C[NH2+][C@@H]2CC[C@@H](C[NH3+])C2)cc1OC ZINC000415028388 499856235 /nfs/dbraw/zinc/85/62/35/499856235.db2.gz COOUFJCIKNZIDD-DGCLKSJQSA-N 2 0 357.292 3.073 20 0 FGADRP C[C@@H](CCN1C(=O)c2ccccc2C1=O)[NH2+][C@@H](CCC[NH3+])c1ccccc1 ZINC000415053265 499858551 /nfs/dbraw/zinc/85/85/51/499858551.db2.gz MHUXNTFYAFWLAC-JXFKEZNVSA-N 2 0 365.477 3.131 20 0 FGADRP c1c(C[NH2+]CCC[NH2+]C2CC2)c(-c2cccnc2)nn1Cc1ccccc1 ZINC000415068286 499860196 /nfs/dbraw/zinc/86/01/96/499860196.db2.gz MHTGIVMFGOWXJB-UHFFFAOYSA-N 2 0 361.493 3.225 20 0 FGADRP Brc1cccc(OCC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000415080780 499861801 /nfs/dbraw/zinc/86/18/01/499861801.db2.gz MANCCIYOECGNII-ZACQAIPSSA-N 2 0 353.304 3.338 20 0 FGADRP COc1ccc(C[C@H](C)C[NH+]2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)cc1F ZINC000415102331 499863589 /nfs/dbraw/zinc/86/35/89/499863589.db2.gz DNLFWAJZSOHZJC-PAXLWEDBSA-N 2 0 364.505 3.231 20 0 FGADRP CSc1ccccc1OC[C@H](O)C[N@H+](C[C@@H]1CC[NH2+][C@@H](C)C1)C(C)C ZINC000415120666 499866180 /nfs/dbraw/zinc/86/61/80/499866180.db2.gz JAHDTTDRGKTEMG-RCCFBDPRSA-N 2 0 366.571 3.247 20 0 FGADRP CC[C@@H](C(=O)N1CCC([NH2+]C2CCC(C[NH3+])CC2)CC1)c1ccccc1 ZINC000415121748 499866325 /nfs/dbraw/zinc/86/63/25/499866325.db2.gz ZMUOCWOWJMXRFY-CNBHCMJISA-N 2 0 357.542 3.278 20 0 FGADRP COc1cc(C[NH+]2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)ccc1SC ZINC000415132700 499868614 /nfs/dbraw/zinc/86/86/14/499868614.db2.gz UJJDASZHZKFNEM-QFBILLFUSA-N 2 0 350.528 3.135 20 0 FGADRP C[NH2+]CC1CCN(C(=O)Nc2cccc(CC[NH+]3CCC(C)CC3)c2)CC1 ZINC000415395918 499891161 /nfs/dbraw/zinc/89/11/61/499891161.db2.gz SYCVBGWNQRTHJA-UHFFFAOYSA-N 2 0 372.557 3.424 20 0 FGADRP CC(C)C[C@H](CNC(=O)c1ccnc(C[NH3+])c1)[NH2+][C@H](C)c1ccccc1 ZINC000582239135 506166562 /nfs/dbraw/zinc/16/65/62/506166562.db2.gz NZPBHWUFHBXYFO-OXQOHEQNSA-N 2 0 354.498 3.036 20 0 FGADRP C[NH+](C)[C@H]1CCc2cc(NC(=O)N3CCC([C@@H]4CC[NH2+]C4)CC3)ccc21 ZINC000415781267 499918473 /nfs/dbraw/zinc/91/84/73/499918473.db2.gz CULUFTIYSYGYKX-XLIONFOSSA-N 2 0 356.514 3.089 20 0 FGADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000415880178 499923756 /nfs/dbraw/zinc/92/37/56/499923756.db2.gz DSWHTZPUSQQUKP-UHFFFAOYSA-N 2 0 366.509 3.448 20 0 FGADRP O=C(Nc1ccc2c(c1)C[NH2+]CC2)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000415887794 499924747 /nfs/dbraw/zinc/92/47/47/499924747.db2.gz YIYPVAISDGNCHK-UHFFFAOYSA-N 2 0 370.541 3.452 20 0 FGADRP Cc1ccccc1[C@H]([C@H](C)NC(=O)Nc1ccc2c(c1)C[NH2+]CC2)[NH+](C)C ZINC000415893378 499925272 /nfs/dbraw/zinc/92/52/72/499925272.db2.gz KJYJTDINWCNGPZ-KKSFZXQISA-N 2 0 366.509 3.454 20 0 FGADRP C[NH2+]Cc1ccccc1NC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C ZINC000415899135 499925909 /nfs/dbraw/zinc/92/59/09/499925909.db2.gz JATZQHMUTHAVDL-VQIMIIECSA-N 2 0 352.482 3.191 20 0 FGADRP C[NH2+]Cc1ccccc1NC(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000415911550 499927383 /nfs/dbraw/zinc/92/73/83/499927383.db2.gz JUIUTIJUNDBHER-LJQANCHMSA-N 2 0 366.509 3.092 20 0 FGADRP CC[NH2+]Cc1cccc(NC(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000415910049 499927454 /nfs/dbraw/zinc/92/74/54/499927454.db2.gz AVNFCQBLWZYJSI-DYESRHJHSA-N 2 0 366.509 3.438 20 0 FGADRP C[NH2+]Cc1cccc(NC(=O)N(CC[NH+](C)C)Cc2cccc(F)c2)c1 ZINC000415923557 499929023 /nfs/dbraw/zinc/92/90/23/499929023.db2.gz WLIVUIXOEDKZDQ-UHFFFAOYSA-N 2 0 358.461 3.141 20 0 FGADRP C[NH2+]Cc1cccc(NC(=O)N[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)c1 ZINC000415942217 499931155 /nfs/dbraw/zinc/93/11/55/499931155.db2.gz IRMNUNWPLVADFA-OXQOHEQNSA-N 2 0 352.482 3.191 20 0 FGADRP CC[NH2+]Cc1ccccc1NC(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000415944509 499931444 /nfs/dbraw/zinc/93/14/44/499931444.db2.gz PKONWYHWWRQMOZ-IBGZPJMESA-N 2 0 354.498 3.091 20 0 FGADRP [NH3+]Cc1cc(NC(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)cc(C(F)(F)F)c1 ZINC000415971425 499935709 /nfs/dbraw/zinc/93/57/09/499935709.db2.gz NAICWVSHRAUQBF-MRXNPFEDSA-N 2 0 370.419 3.256 20 0 FGADRP C[NH2+]Cc1ccc(NC(=O)N[C@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)cc1 ZINC000415974190 499935812 /nfs/dbraw/zinc/93/58/12/499935812.db2.gz QERVMCLSMOGZHF-UZLBHIALSA-N 2 0 352.482 3.363 20 0 FGADRP C[C@H](NC(=O)NCC(C)(C)[N@@H+]1CCc2ccccc2C1)C(C)(C)C[NH+](C)C ZINC000428955849 499968120 /nfs/dbraw/zinc/96/81/20/499968120.db2.gz WINWUYSDJMJBLH-KRWDZBQOSA-N 2 0 374.573 3.099 20 0 FGADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cccc(C[NH+]3CCCCC3)c2)[C@@H](C)C1 ZINC000413507851 499974805 /nfs/dbraw/zinc/97/48/05/499974805.db2.gz TWDPOZCQOCBSRY-GHTZIAJQSA-N 2 0 357.542 3.475 20 0 FGADRP C[NH+](C)[C@H](CC(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000416214409 499983635 /nfs/dbraw/zinc/98/36/35/499983635.db2.gz BLAINYMJMCLCGC-RBBKRZOGSA-N 2 0 365.521 3.318 20 0 FGADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)NC2CCC(C[NH+](C)C)CC2)C1 ZINC000429079777 499999806 /nfs/dbraw/zinc/99/98/06/499999806.db2.gz BFMXWCPXZXJNTP-CZOVOBHWSA-N 2 0 372.557 3.242 20 0 FGADRP C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000413624266 500006073 /nfs/dbraw/zinc/00/60/73/500006073.db2.gz JHTGGKIOHBIURA-RTWAWAEBSA-N 2 0 355.526 3.229 20 0 FGADRP C[NH2+]C[C@H](C)CNC(=O)NCc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000417218563 500008067 /nfs/dbraw/zinc/00/80/67/500008067.db2.gz LKYATMGNHOZXMR-KRWDZBQOSA-N 2 0 360.546 3.106 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N[C@H](C)CC[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000417292340 500030971 /nfs/dbraw/zinc/03/09/71/500030971.db2.gz CHZUNQOEDUIRRM-CZUORRHYSA-N 2 0 374.451 3.125 20 0 FGADRP Cc1ccc([C@H](CNC(=O)N(CCC[NH3+])Cc2ccccc2)[NH+](C)C)cc1 ZINC000417314354 500037455 /nfs/dbraw/zinc/03/74/55/500037455.db2.gz RALCNFVLGXNBME-NRFANRHFSA-N 2 0 368.525 3.158 20 0 FGADRP CC(C)(C[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12)C1(O)CCOCC1 ZINC000417350995 500046090 /nfs/dbraw/zinc/04/60/90/500046090.db2.gz ATTXRQYFJVPJEV-QHAWAJNXSA-N 2 0 372.553 3.054 20 0 FGADRP CCCN(C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1)[C@@H]1CC[NH2+]C1 ZINC000417355150 500047359 /nfs/dbraw/zinc/04/73/59/500047359.db2.gz FLLRCSBJLDPFNH-OAQYLSRUSA-N 2 0 372.557 3.346 20 0 FGADRP CCCN(C(=O)NCc1cccc(C[NH+]2CCCCCC2)c1)[C@@H]1CC[NH2+]C1 ZINC000417355578 500047470 /nfs/dbraw/zinc/04/74/70/500047470.db2.gz ODOSADYNKDGSOU-OAQYLSRUSA-N 2 0 372.557 3.346 20 0 FGADRP COc1cc2[nH+]ccc(N3CC[C@@H]([NH+]4CC=CC4)C3)c2cc1Br ZINC000425223165 500048288 /nfs/dbraw/zinc/04/82/88/500048288.db2.gz BLWAPBDMYSRFCB-CYBMUJFWSA-N 2 0 374.282 3.456 20 0 FGADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+][C@@H]2CCN(CC(F)F)C2)CC1 ZINC000417363186 500049969 /nfs/dbraw/zinc/04/99/69/500049969.db2.gz AOWKXXOCIPTSSQ-JLAWEPINSA-N 2 0 351.485 3.359 20 0 FGADRP COc1cc2[nH+]ccc(N3CC[C@@H](C[NH+](C)C)C3)c2cc1Br ZINC000425249907 500055741 /nfs/dbraw/zinc/05/57/41/500055741.db2.gz UYKFWFFNXGDICS-LBPRGKRZSA-N 2 0 364.287 3.394 20 0 FGADRP CC[NH+](CC)CCOc1ccc(C(=O)Nc2ccc3c(c2)C[NH2+]CC3)cc1 ZINC000429342339 500056406 /nfs/dbraw/zinc/05/64/06/500056406.db2.gz XTDQYAZAPQXEAO-UHFFFAOYSA-N 2 0 367.493 3.305 20 0 FGADRP FC(F)CN1CC[C@H]([NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000417385305 500056476 /nfs/dbraw/zinc/05/64/76/500056476.db2.gz LYROTRDAGPGRGY-VNTMZGSJSA-N 2 0 363.496 3.216 20 0 FGADRP Cc1cnccc1C[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000582281769 506174946 /nfs/dbraw/zinc/17/49/46/506174946.db2.gz IUCSKGJYPCOPIF-JOCHJYFZSA-N 2 0 365.521 3.408 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(F)c(F)c1C ZINC000417545589 500103351 /nfs/dbraw/zinc/10/33/51/500103351.db2.gz XWZPZRHCEAOMNR-HNNXBMFYSA-N 2 0 368.472 3.153 20 0 FGADRP C[C@H]([NH2+]C(C)(C)CNC(=O)NCc1ccc2c(c1)C[NH2+]C2)c1ccccc1 ZINC000417616091 500125648 /nfs/dbraw/zinc/12/56/48/500125648.db2.gz ARUQUJNCYSBDJQ-INIZCTEOSA-N 2 0 366.509 3.218 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)c1ccccc1 ZINC000416847651 500136591 /nfs/dbraw/zinc/13/65/91/500136591.db2.gz VPBVXGWHJYGHAQ-PWRODBHTSA-N 2 0 372.557 3.101 20 0 FGADRP CCc1ccc([C@H](CNC(=O)NCc2ccc([C@H](C)[NH3+])cc2)[NH+](C)C)cc1 ZINC000416847223 500136705 /nfs/dbraw/zinc/13/67/05/500136705.db2.gz UYQBVCCFEVPJIW-KKSFZXQISA-N 2 0 368.525 3.371 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)c1ccccc1 ZINC000416847649 500136867 /nfs/dbraw/zinc/13/68/67/500136867.db2.gz VPBVXGWHJYGHAQ-NJDAHSKKSA-N 2 0 372.557 3.101 20 0 FGADRP COc1ccc([C@H](C)[NH2+]Cc2ccc(N3CC[NH+](C)CC3)nc2)c(C)c1 ZINC000414053831 500140172 /nfs/dbraw/zinc/14/01/72/500140172.db2.gz BADKCJXBNLMRAD-KRWDZBQOSA-N 2 0 354.498 3.001 20 0 FGADRP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CC(C)(C)C[C@H]2c2ccccc2)CC1 ZINC000425544658 500140551 /nfs/dbraw/zinc/14/05/51/500140551.db2.gz RCQXZARGLCUFNF-FQEVSTJZSA-N 2 0 357.542 3.449 20 0 FGADRP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N[C@H](C[NH3+])C2CCCCC2)CC1 ZINC000417677577 500147112 /nfs/dbraw/zinc/14/71/12/500147112.db2.gz GCLHTCPXVUHACN-DYESRHJHSA-N 2 0 372.557 3.419 20 0 FGADRP CC[N@@H+]1CC[C@H]([NH+](C)CCOc2ccc(C(=O)OC)cc2Cl)[C@H](C)C1 ZINC000429811379 500148759 /nfs/dbraw/zinc/14/87/59/500148759.db2.gz WPKYEMABXJEQGU-PBHICJAKSA-N 2 0 368.905 3.168 20 0 FGADRP CCC(CC)(CNC(=O)N[C@@H]1CC[NH2+]C[C@H]1C)[NH2+][C@@H](C)c1ccccc1 ZINC000417702694 500152404 /nfs/dbraw/zinc/15/24/04/500152404.db2.gz KQWZUFDNKURACA-ZIFCJYIRSA-N 2 0 360.546 3.193 20 0 FGADRP CCN1CC[NH+](CCCC[NH2+][C@@H](c2ccc(OC)cc2F)C2CC2)CC1 ZINC000421820746 500159035 /nfs/dbraw/zinc/15/90/35/500159035.db2.gz NOTFNIPCIZXUNA-OAQYLSRUSA-N 2 0 363.521 3.293 20 0 FGADRP COc1cc(Cl)ccc1[C@@H](C)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000421821478 500159557 /nfs/dbraw/zinc/15/95/57/500159557.db2.gz RQRAYAWEVIKRMZ-OAHLLOKOSA-N 2 0 374.916 3.346 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)N1CCC([C@@H]2[NH2+]CC2(C)C)CC1)CC(C)C ZINC000416959141 500166118 /nfs/dbraw/zinc/16/61/18/500166118.db2.gz PUIVTQJUOQOPGT-MOPGFXCFSA-N 2 0 366.594 3.163 20 0 FGADRP C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)NCC[C@@H]3CCC[NH2+]C3)cc2)C1 ZINC000416970203 500170151 /nfs/dbraw/zinc/17/01/51/500170151.db2.gz NCJZZPPMLKBUHY-MOPGFXCFSA-N 2 0 372.557 3.107 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000416984986 500175663 /nfs/dbraw/zinc/17/56/63/500175663.db2.gz YHOQYYPWBRAHGN-MOPGFXCFSA-N 2 0 372.557 3.250 20 0 FGADRP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000416984991 500175735 /nfs/dbraw/zinc/17/57/35/500175735.db2.gz YHOQYYPWBRAHGN-RBUKOAKNSA-N 2 0 372.557 3.250 20 0 FGADRP C[C@H]([NH3+])[C@H]1CCN(C(=O)NCc2ccc(C[N@H+]3C[C@H](C)C[C@H](C)C3)cc2)C1 ZINC000416992154 500177881 /nfs/dbraw/zinc/17/78/81/500177881.db2.gz OSUDQKOPERDKEE-NYUBLWNDSA-N 2 0 372.557 3.043 20 0 FGADRP C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)N(C)C3CC[NH2+]CC3)cc2)C1 ZINC000416993925 500178476 /nfs/dbraw/zinc/17/84/76/500178476.db2.gz QYSPRICUJXKZBI-ROUUACIJSA-N 2 0 372.557 3.058 20 0 FGADRP C[C@@H]1C[C@H](NC(=O)NC[C@@H]([NH3+])c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000417826277 500179905 /nfs/dbraw/zinc/17/99/05/500179905.db2.gz BZMFAKQSQGUABI-DUXKGJEZSA-N 2 0 366.509 3.039 20 0 FGADRP C[C@@H]1C[C@H](NC(=O)N[C@H](C[NH3+])C2CCCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000417835737 500181128 /nfs/dbraw/zinc/18/11/28/500181128.db2.gz LDHMYGSWROQHAY-DUXKGJEZSA-N 2 0 372.557 3.246 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)NCC1([NH3+])CCCCC1)c1ccsc1 ZINC000417008307 500182654 /nfs/dbraw/zinc/18/26/54/500182654.db2.gz MDFJDTSQXSBNQF-INIZCTEOSA-N 2 0 352.548 3.092 20 0 FGADRP C[NH+](C)[C@H](CNC(=O)N[C@H](CCC[NH3+])c1ccccc1)C1CCCCC1 ZINC000417009348 500183285 /nfs/dbraw/zinc/18/32/85/500183285.db2.gz KGWUWQJISPXLRK-WOJBJXKFSA-N 2 0 360.546 3.276 20 0 FGADRP CC(C)C[C@H](CNC(=O)N[C@@H]1CC[NH2+]C[C@H]1C)[NH2+][C@H](C)c1ccccc1 ZINC000417863838 500187220 /nfs/dbraw/zinc/18/72/20/500187220.db2.gz AFNOJXHCUIBPAV-HNBVOPMISA-N 2 0 360.546 3.049 20 0 FGADRP CC(C)C[C@H](CNC(=O)N[C@@H]1CC[NH2+][C@H](C)C1)[NH2+][C@@H](C)c1ccccc1 ZINC000417872675 500188672 /nfs/dbraw/zinc/18/86/72/500188672.db2.gz LBVBHTWPVPZSTL-PIKOESSRSA-N 2 0 360.546 3.192 20 0 FGADRP CC(C)C[C@H](CNC(=O)NCC[C@H]1CC[NH2+]C1)[NH2+][C@H](C)c1ccccc1 ZINC000417876246 500189200 /nfs/dbraw/zinc/18/92/00/500189200.db2.gz OTFWLTMUAUBHQA-QWFCFKBJSA-N 2 0 360.546 3.051 20 0 FGADRP CN(C)C(=O)c1ccccc1C[NH2+]Cc1ccc(OCCC[NH+](C)C)cc1 ZINC000417896648 500194155 /nfs/dbraw/zinc/19/41/55/500194155.db2.gz HTAPUAMVRKKTLG-UHFFFAOYSA-N 2 0 369.509 3.009 20 0 FGADRP CCCC[C@H](C[NH3+])NC(=O)NCC[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000417923209 500198752 /nfs/dbraw/zinc/19/87/52/500198752.db2.gz KLMYVWYJJSJPFT-YZGWKJHDSA-N 2 0 360.546 3.104 20 0 FGADRP C[NH+](C)Cc1ccc(CNC(=O)N[C@@H](CCC[NH3+])c2ccccc2)cc1F ZINC000417926348 500199339 /nfs/dbraw/zinc/19/93/39/500199339.db2.gz DIKIFIFHQUHRTE-FQEVSTJZSA-N 2 0 372.488 3.167 20 0 FGADRP C[C@@H]1C[C@@H](CCNC(=O)N2CCC[C@@H](CC[NH3+])C2)C[N@@H+]1Cc1ccccc1 ZINC000417935039 500200414 /nfs/dbraw/zinc/20/04/14/500200414.db2.gz ZCSRNPKFAZLJKB-HLAWJBBLSA-N 2 0 372.557 3.058 20 0 FGADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H]1CCN(Cc2ccccc2)C2(CC2)C1 ZINC000579472094 506182442 /nfs/dbraw/zinc/18/24/42/506182442.db2.gz AEDNCSGNHCDAQY-LEWJYISDSA-N 2 0 359.558 3.130 20 0 FGADRP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)NC[C@@]1(C)CCC[NH+]1Cc1ccccc1 ZINC000430217717 500210631 /nfs/dbraw/zinc/21/06/31/500210631.db2.gz LGYFTEVWYTUJIX-RBBKRZOGSA-N 2 0 372.557 3.024 20 0 FGADRP c1nnn(Cc2ccccc2)c1C[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000430233621 500212494 /nfs/dbraw/zinc/21/24/94/500212494.db2.gz QUVSGPNVBOYNJE-UHFFFAOYSA-N 2 0 367.541 3.414 20 0 FGADRP CCC[NH+]1CCN(c2ccccc2C[NH2+]C[C@H]2COc3ccccc32)CC1 ZINC000570504020 506182672 /nfs/dbraw/zinc/18/26/72/506182672.db2.gz QETQZHWVKQITQW-FQEVSTJZSA-N 2 0 365.521 3.484 20 0 FGADRP C[C@H](CCCC[NH3+])NC(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000418042761 500219527 /nfs/dbraw/zinc/21/95/27/500219527.db2.gz YDPSRROURFFRTA-CJNGLKHVSA-N 2 0 374.451 3.125 20 0 FGADRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)NC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000418046184 500219823 /nfs/dbraw/zinc/21/98/23/500219823.db2.gz PYWGWQBNRDBZIS-PZJWPPBQSA-N 2 0 360.546 3.056 20 0 FGADRP C[C@H]([NH2+]C(C)(C)CNC(=O)NC1CCC([NH+](C)C)CC1)c1ccccc1 ZINC000422172838 500226471 /nfs/dbraw/zinc/22/64/71/500226471.db2.gz XOPPXCLPLJMRNY-IVMQYODDSA-N 2 0 360.546 3.288 20 0 FGADRP CCCN(C(=O)NC[C@H](C1CC1)[N@H+](C)Cc1ccccc1)C1CC[NH2+]CC1 ZINC000418130228 500234217 /nfs/dbraw/zinc/23/42/17/500234217.db2.gz BVYSCYHPLVWGJT-OAQYLSRUSA-N 2 0 372.557 3.071 20 0 FGADRP [NH3+]CCCN(Cc1ccccc1)C(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000418143589 500236305 /nfs/dbraw/zinc/23/63/05/500236305.db2.gz QRBKBLAHDDKSRU-NRFANRHFSA-N 2 0 372.557 3.344 20 0 FGADRP CCC[N@H+](C)[C@H](CNC(=O)NCC[C@@H]1CC[NH2+]C1)c1ccc(Cl)cc1 ZINC000418175460 500243030 /nfs/dbraw/zinc/24/30/30/500243030.db2.gz FWXHRCWCAMTOOZ-MAUKXSAKSA-N 2 0 366.937 3.022 20 0 FGADRP CCC[N@H+](C)[C@H](CNC(=O)N1CC[C@@](C)(C[NH3+])C1)c1ccc(Cl)cc1 ZINC000418176940 500243437 /nfs/dbraw/zinc/24/34/37/500243437.db2.gz HLTKOQLGHKFABF-MJGOQNOKSA-N 2 0 366.937 3.103 20 0 FGADRP CCC[N@H+](C)[C@H](CNC(=O)N1CCC(C[NH3+])CC1)c1ccc(Cl)cc1 ZINC000418183364 500244293 /nfs/dbraw/zinc/24/42/93/500244293.db2.gz OKZYYFDFNOLPIR-GOSISDBHSA-N 2 0 366.937 3.103 20 0 FGADRP CC[NH2+]CC1CCN(C(=O)N[C@H](C)[C@H](c2ccccc2C)[NH+](C)C)CC1 ZINC000418182730 500244539 /nfs/dbraw/zinc/24/45/39/500244539.db2.gz NHFNNAAYEJTZQD-YLJYHZDGSA-N 2 0 360.546 3.017 20 0 FGADRP CCc1ccc([C@H](CNC(=O)N[C@H]2CC[NH2+][C@@H](C)C2)[NH+](CC)CC)cc1 ZINC000418218233 500250793 /nfs/dbraw/zinc/25/07/93/500250793.db2.gz QKYFGIZMRXCOSS-VDGAXYAQSA-N 2 0 360.546 3.072 20 0 FGADRP CC[NH2+]CC1CC[NH+](CC(=O)N[C@H](CC)c2ccc(Cl)cc2)CC1 ZINC000430580460 500257993 /nfs/dbraw/zinc/25/79/93/500257993.db2.gz HLHIDXLYQIFTMS-GOSISDBHSA-N 2 0 351.922 3.229 20 0 FGADRP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCC1([NH3+])CCCCC1 ZINC000418327850 500263264 /nfs/dbraw/zinc/26/32/64/500263264.db2.gz ZXMMQPTYBNFXFN-HXUWFJFHSA-N 2 0 372.557 3.202 20 0 FGADRP CC(C)c1ccc([C@H]([NH3+])CNC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC000418345468 500266020 /nfs/dbraw/zinc/26/60/20/500266020.db2.gz HAPBJPOWGLOZPS-JIRNRHONSA-N 2 0 358.530 3.076 20 0 FGADRP [NH3+]CC1CC[NH+](CC(=O)N[C@H](c2ccccc2)c2cccc(Cl)c2)CC1 ZINC000430668666 500267689 /nfs/dbraw/zinc/26/76/89/500267689.db2.gz RTTATLYBJMLYSI-OAQYLSRUSA-N 2 0 371.912 3.216 20 0 FGADRP [NH3+]C[C@H](NC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1)C1CCCCC1 ZINC000418371416 500269616 /nfs/dbraw/zinc/26/96/16/500269616.db2.gz XNATXEGVCREEBC-QUCCMNQESA-N 2 0 364.578 3.192 20 0 FGADRP CC(C)[C@H](CNC(=O)C[C@H](C)[C@H]1CCC[NH2+]C1)[N@@H+]1CCc2ccccc2C1 ZINC000430707559 500273201 /nfs/dbraw/zinc/27/32/01/500273201.db2.gz XVIZDCKCHBBOCX-VCOUNFBDSA-N 2 0 371.569 3.211 20 0 FGADRP CC(C)C[C@H](C[NH3+])NC(=O)N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000418430059 500275288 /nfs/dbraw/zinc/27/52/88/500275288.db2.gz UFTPFEJZZTZGQQ-IEBWSBKVSA-N 2 0 352.567 3.046 20 0 FGADRP O=C(CC1CC[NH2+]CC1)NC[C@H]1CCCC[N@H+]1Cc1cccc(Cl)c1 ZINC000430722333 500275362 /nfs/dbraw/zinc/27/53/62/500275362.db2.gz FIVXLTSRCZBDSB-LJQANCHMSA-N 2 0 363.933 3.200 20 0 FGADRP CCCC[C@H](C[NH3+])NC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000418453774 500278187 /nfs/dbraw/zinc/27/81/87/500278187.db2.gz ZLSSVTGNOLYCBT-SXLOBPIMSA-N 2 0 360.546 3.198 20 0 FGADRP C[C@H]([NH3+])c1ccc(CNC(=O)N2CC[NH+](CC3CCCCC3)CC2)cc1 ZINC000418455944 500279170 /nfs/dbraw/zinc/27/91/70/500279170.db2.gz FBLQVSXZIDHHJR-KRWDZBQOSA-N 2 0 358.530 3.114 20 0 FGADRP CCCC[C@H](C[NH3+])NC(=O)N(CC)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000418458370 500279292 /nfs/dbraw/zinc/27/92/92/500279292.db2.gz FMVCBQMKWIKCBV-VQTJNVASSA-N 2 0 360.546 3.058 20 0 FGADRP CC(C)CN(CC[NH+](C)C)C(=O)N[C@H](C[NH3+])c1ccc2ccccc2c1 ZINC000418502771 500285672 /nfs/dbraw/zinc/28/56/72/500285672.db2.gz VYSHWTOUJCCEOX-HXUWFJFHSA-N 2 0 356.514 3.069 20 0 FGADRP C([NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)C1(N2CCSCC2)CCCCC1 ZINC000422711616 500288545 /nfs/dbraw/zinc/28/85/45/500288545.db2.gz MZVJFTQXRBFXDD-CEXWTWQISA-N 2 0 351.604 3.248 20 0 FGADRP C[C@H](C[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)N1CCc2ccccc21 ZINC000422714538 500288667 /nfs/dbraw/zinc/28/86/67/500288667.db2.gz LAFLKYSAWTVPAZ-DHJUGAMNSA-N 2 0 363.505 3.283 20 0 FGADRP c1ccc(CC[N@@H+]2CC[C@H](C[NH2+][C@@H]3CCC[C@@H]3[C@H]3CCCC[NH2+]3)C2)cc1 ZINC000422721867 500290291 /nfs/dbraw/zinc/29/02/91/500290291.db2.gz WFDBEUMCWQOURP-SSGKUCQKSA-N 3 0 355.570 3.451 20 0 FGADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000422722289 500290314 /nfs/dbraw/zinc/29/03/14/500290314.db2.gz PBYKBBVLFSBXBP-CJNGLKHVSA-N 2 0 352.404 3.369 20 0 FGADRP CSc1nnc(CCC[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)n1CC(C)C ZINC000422725983 500290898 /nfs/dbraw/zinc/29/08/98/500290898.db2.gz CWYNTAVMMQYAKV-SJORKVTESA-N 2 0 359.543 3.323 20 0 FGADRP C[NH+](C)CCOc1ccc(CC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)cc1 ZINC000422733639 500291303 /nfs/dbraw/zinc/29/13/03/500291303.db2.gz BQBZTGOUXZJIQW-BHDDXSALSA-N 3 0 359.558 3.070 20 0 FGADRP COc1ccc([C@H](NC[C@@H](c2ccccc2)[NH+](C)C)[C@@H]2CCC[NH2+]2)cc1 ZINC000422755706 500294556 /nfs/dbraw/zinc/29/45/56/500294556.db2.gz KXOFWDBPCYYJSZ-FKBYEOEOSA-N 2 0 353.510 3.381 20 0 FGADRP O=C(c1ccccc1)N1CCC(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)CC1 ZINC000422768508 500295893 /nfs/dbraw/zinc/29/58/93/500295893.db2.gz SFNWYLOAEFNYMY-YPAWHYETSA-N 2 0 369.553 3.439 20 0 FGADRP COc1cccc(N2CCC[C@@H]([NH2+][C@H](C)c3ccc(C[NH3+])nc3C)C2)c1 ZINC000422768871 500295941 /nfs/dbraw/zinc/29/59/41/500295941.db2.gz VAFDJBUEPVBEOG-SJLPKXTDSA-N 2 0 354.498 3.177 20 0 FGADRP CCN(C(=O)NCCC1=CC[NH2+]CC1)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000418634163 500298782 /nfs/dbraw/zinc/29/87/82/500298782.db2.gz DVGHZSLXOQSBST-GHTZIAJQSA-N 2 0 370.541 3.163 20 0 FGADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NC[C@H]1[NH2+]CCCC1(C)C ZINC000418636391 500299382 /nfs/dbraw/zinc/29/93/82/500299382.db2.gz IGWLCJQSHBXVGK-LJQANCHMSA-N 2 0 360.546 3.058 20 0 FGADRP CCOC(=O)C1([C@H](C)[NH2+][C@@H](C)c2ccc(OC(F)F)cc2)CC[NH2+]CC1 ZINC000422809222 500300473 /nfs/dbraw/zinc/30/04/73/500300473.db2.gz RKQMPLMGSVPOAT-KBPBESRZSA-N 2 0 370.440 3.260 20 0 FGADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]CCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000422817992 500301932 /nfs/dbraw/zinc/30/19/32/500301932.db2.gz JBMWALVUYQLAEJ-FGZHOGPDSA-N 3 0 359.558 3.307 20 0 FGADRP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CC(C)(C)c1ccc2c(c1)OCCO2 ZINC000422818716 500302190 /nfs/dbraw/zinc/30/21/90/500302190.db2.gz GYVIXNHFHYRHJO-APWZRJJASA-N 2 0 354.494 3.284 20 0 FGADRP C[C@@H](CCCC[NH3+])NC(=O)N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000418665361 500304025 /nfs/dbraw/zinc/30/40/25/500304025.db2.gz CAGCFYHIHKCMNR-ROUUACIJSA-N 2 0 352.567 3.190 20 0 FGADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C[C@H]1CCCN(Cc2cccs2)C1 ZINC000422840452 500304142 /nfs/dbraw/zinc/30/41/42/500304142.db2.gz SYHGLNMDXBSXHA-NVXWUHKLSA-N 2 0 358.555 3.473 20 0 FGADRP c1ccc(N2CC[C@H](C[NH2+][C@H]3C[C@@]4(CC[NH2+]C4)Oc4ccccc43)C2)cc1 ZINC000422836670 500304277 /nfs/dbraw/zinc/30/42/77/500304277.db2.gz RREXFELPDSHJQH-RZFNWQHOSA-N 2 0 363.505 3.358 20 0 FGADRP Cc1cccc(COc2ccc(C[NH2+][C@@H]3CCOC[C@@H]3[C@H](C)[NH3+])cc2)c1 ZINC000422841556 500304604 /nfs/dbraw/zinc/30/46/04/500304604.db2.gz DCKGTGBHYISXJO-MTNREXPMSA-N 2 0 354.494 3.416 20 0 FGADRP FC(F)(F)COc1cc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)ccn1 ZINC000422853418 500305750 /nfs/dbraw/zinc/30/57/50/500305750.db2.gz BTCISCHFHHAHKD-BZUAXINKSA-N 2 0 357.420 3.423 20 0 FGADRP Cc1ccc(C[NH2+][C@@H](C)c2ccc(C[NH3+])nc2C)c(OC[C@H]2CCOC2)c1 ZINC000422859915 500306404 /nfs/dbraw/zinc/30/64/04/500306404.db2.gz HRBDZXHORJBTAE-WMZOPIPTSA-N 2 0 369.509 3.423 20 0 FGADRP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N[C@@H](C)CCCC[NH3+] ZINC000418678507 500306539 /nfs/dbraw/zinc/30/65/39/500306539.db2.gz VPBXJQOPMRCUHH-ICSRJNTNSA-N 2 0 360.546 3.058 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)C1 ZINC000418678433 500306640 /nfs/dbraw/zinc/30/66/40/500306640.db2.gz CKCAPESTJKMLCM-WTGUMLROSA-N 2 0 364.578 3.048 20 0 FGADRP CC[NH+](CC)CC1CCN(C(=O)N[C@@H](CCC[NH3+])c2ccccc2)CC1 ZINC000418678273 500306771 /nfs/dbraw/zinc/30/67/71/500306771.db2.gz SLASHVNSMNFUQL-FQEVSTJZSA-N 2 0 360.546 3.230 20 0 FGADRP C[C@H]([NH3+])C1CC[NH+](CC(=O)N[C@@H](CC(C)(C)C)c2ccc(F)cc2)CC1 ZINC000430923446 500307795 /nfs/dbraw/zinc/30/77/95/500307795.db2.gz DVGQCHUYLCRIEV-KXBFYZLASA-N 2 0 363.521 3.478 20 0 FGADRP C[C@H](CCCC[NH3+])NC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000418687592 500308166 /nfs/dbraw/zinc/30/81/66/500308166.db2.gz DNJBEGCUPJRDEN-QWFCFKBJSA-N 2 0 360.546 3.198 20 0 FGADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]Cc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000422874801 500308902 /nfs/dbraw/zinc/30/89/02/500308902.db2.gz DFDVXLDVVNJIAC-DBQOQBPJSA-N 3 0 359.558 3.006 20 0 FGADRP C[C@@H]1C[N@H+](CCC(=O)N[C@@H](c2cccs2)c2ccccc2)CC[C@H]1[NH3+] ZINC000430932328 500309283 /nfs/dbraw/zinc/30/92/83/500309283.db2.gz DZMUFHBPDSURGG-WRWLIDTKSA-N 2 0 357.523 3.013 20 0 FGADRP CCOC(=O)C1([C@H](C)[NH2+]Cc2ccc(C)cc2OC(C)C)CC[NH2+]CC1 ZINC000422879963 500309515 /nfs/dbraw/zinc/30/95/15/500309515.db2.gz WIRJPPYCSSZOGD-KRWDZBQOSA-N 2 0 362.514 3.193 20 0 FGADRP C[C@@H](NC(=O)N(CC[N@H+](C)Cc1ccccc1)Cc1ccccc1)[C@H](C)[NH3+] ZINC000418701413 500309689 /nfs/dbraw/zinc/30/96/89/500309689.db2.gz GGYQOPLZRFZDJF-RBUKOAKNSA-N 2 0 368.525 3.066 20 0 FGADRP Cc1ccc(CNC(=O)c2cccc(C[NH2+][C@@H]3CCC[C@H]3C[NH3+])c2)cc1 ZINC000422883285 500310040 /nfs/dbraw/zinc/31/00/40/500310040.db2.gz QJBXRZPAVVJZMM-LEWJYISDSA-N 2 0 351.494 3.142 20 0 FGADRP CCOC(=O)C1([C@H](C)[NH2+][C@H](C)c2cccc(OC(C)C)c2)CC[NH2+]CC1 ZINC000422882088 500310124 /nfs/dbraw/zinc/31/01/24/500310124.db2.gz OZIQTTODZVJKAG-SJORKVTESA-N 2 0 362.514 3.446 20 0 FGADRP COC1CC[NH+](C2(CN[C@@H]3CCC[C@H]3[C@@H]3CCCC[NH2+]3)CCCC2)CC1 ZINC000422888278 500310857 /nfs/dbraw/zinc/31/08/57/500310857.db2.gz MJSGNGAAVJUWCN-PCCBWWKXSA-N 2 0 363.590 3.310 20 0 FGADRP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C1CCC(C(=O)N2CCSCC2)CC1 ZINC000422885495 500311092 /nfs/dbraw/zinc/31/10/92/500311092.db2.gz YXEJLSVHBOQSQJ-MKCYZYCBSA-N 2 0 367.603 3.021 20 0 FGADRP C[C@@H]([NH2+]C[C@@H]1CCN(c2cccc(Br)c2)C1)[C@@H]1CCC[NH2+]1 ZINC000422896128 500312490 /nfs/dbraw/zinc/31/24/90/500312490.db2.gz HJRHXXRKENNBBA-KEYYUXOJSA-N 2 0 352.320 3.006 20 0 FGADRP COc1ccc(-c2nn(-c3ccccc3)cc2C[N@@H+]2CC[C@H](C[NH3+])C2)cc1 ZINC000430965277 500314310 /nfs/dbraw/zinc/31/43/10/500314310.db2.gz IMHIMWLUGWYVTJ-QGZVFWFLSA-N 2 0 362.477 3.329 20 0 FGADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+][C@H]1CCCN(Cc2ccc(F)cc2Cl)C1 ZINC000422906773 500314907 /nfs/dbraw/zinc/31/49/07/500314907.db2.gz KIORKMYJESBENT-LJHODMEESA-N 2 0 353.913 3.421 20 0 FGADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000422909978 500315734 /nfs/dbraw/zinc/31/57/34/500315734.db2.gz HCDWNEMSSHTUQA-WMZHIEFXSA-N 2 0 367.537 3.209 20 0 FGADRP CCOC(=O)C1([C@@H](C)[NH2+]C[C@H](C)Oc2cccc(Cl)c2)CC[NH2+]CC1 ZINC000422917054 500316236 /nfs/dbraw/zinc/31/62/36/500316236.db2.gz FJCCQJPRLSNARW-LSDHHAIUSA-N 2 0 368.905 3.018 20 0 FGADRP CC[NH+]1CCN(Cc2ccc(N[C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)cc2)CC1 ZINC000422915283 500316382 /nfs/dbraw/zinc/31/63/82/500316382.db2.gz APVCFNKVJAVHQE-BHIFYINESA-N 2 0 356.558 3.157 20 0 FGADRP CCOC(=O)C1([C@H](C)[NH2+][C@@H](C)c2c(F)cccc2Cl)CC[NH2+]CC1 ZINC000422922042 500317186 /nfs/dbraw/zinc/31/71/86/500317186.db2.gz RQBWYDONALSHHE-STQMWFEESA-N 2 0 356.869 3.451 20 0 FGADRP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]CCOc1ncc(C(F)(F)F)cc1Cl ZINC000422922857 500317669 /nfs/dbraw/zinc/31/76/69/500317669.db2.gz QYJNDMHLJPNNBR-STQMWFEESA-N 2 0 351.800 3.382 20 0 FGADRP CC[C@H](C[NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1)Oc1cccc(Cl)c1 ZINC000422929166 500318274 /nfs/dbraw/zinc/31/82/74/500318274.db2.gz OMSBSMXEWLOFOF-OQIJWPOYSA-N 2 0 352.906 3.244 20 0 FGADRP CC[C@H](C[NH2+][C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1)Oc1cccc(Cl)c1 ZINC000422929167 500318541 /nfs/dbraw/zinc/31/85/41/500318541.db2.gz OMSBSMXEWLOFOF-QXCFHYIPSA-N 2 0 352.906 3.244 20 0 FGADRP CCOC(=O)C1([C@H](C)[NH2+]CCc2cccc3ccccc32)CC[NH2+]CC1 ZINC000422936917 500319648 /nfs/dbraw/zinc/31/96/48/500319648.db2.gz NGJKDWNDXYLQHB-KRWDZBQOSA-N 2 0 354.494 3.293 20 0 FGADRP c1ccc(N2CC[NH+](CCCC[NH2+][C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)CC2)cc1 ZINC000422938577 500319962 /nfs/dbraw/zinc/31/99/62/500319962.db2.gz HFLVAIDKOZRYNN-YTFSRNRJSA-N 3 0 370.585 3.099 20 0 FGADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CCc1nc(-c2ccc(Cl)cc2)no1 ZINC000422952285 500322834 /nfs/dbraw/zinc/32/28/34/500322834.db2.gz CBLPTMBLVAMAKI-LBPRGKRZSA-N 2 0 371.872 3.445 20 0 FGADRP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCNc1cccc(Br)c1 ZINC000422965952 500324660 /nfs/dbraw/zinc/32/46/60/500324660.db2.gz QHYFRTYRICPCFS-KDOFPFPSSA-N 2 0 362.315 3.409 20 0 FGADRP CCOC(=O)C1([C@H](C)[NH2+][C@@H](c2ccco2)c2ccccc2)CC[NH2+]CC1 ZINC000422965930 500324814 /nfs/dbraw/zinc/32/48/14/500324814.db2.gz QFVBCVVNLMYBRO-QFBILLFUSA-N 2 0 356.466 3.280 20 0 FGADRP CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000431031038 500326077 /nfs/dbraw/zinc/32/60/77/500326077.db2.gz UHDVFZCJADBTQM-UHFFFAOYSA-N 2 0 370.324 3.027 20 0 FGADRP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1ccc2c(ccn2CCC[NH3+])c1 ZINC000431059782 500330041 /nfs/dbraw/zinc/33/00/41/500330041.db2.gz CGSDPGKQXMMONZ-FGTMMUONSA-N 2 0 370.541 3.086 20 0 FGADRP Fc1ccc(C2(C[NH2+][C@@H]3CCOC[C@H]3[C@H]3CCC[NH2+]3)CC2)c(Cl)c1 ZINC000423015552 500331153 /nfs/dbraw/zinc/33/11/53/500331153.db2.gz ADBQIPVQTODZQL-BMGDILEWSA-N 2 0 352.881 3.257 20 0 FGADRP Fc1ccc(C2(C[NH2+][C@@H]3CCOC[C@@H]3[C@H]3CCC[NH2+]3)CC2)c(Cl)c1 ZINC000423015558 500331206 /nfs/dbraw/zinc/33/12/06/500331206.db2.gz ADBQIPVQTODZQL-ZTFGCOKTSA-N 2 0 352.881 3.257 20 0 FGADRP C[C@H]1C[N@H+](CCOc2ccc(CC[NH2+][C@@H]3CC[NH2+]CC[C@H]3C)cc2)C[C@H]1C ZINC000423019164 500331835 /nfs/dbraw/zinc/33/18/35/500331835.db2.gz UHLKEWFKEZGZGY-ISHFTEKXSA-N 3 0 373.585 3.173 20 0 FGADRP CO[C@@H](c1ccc(Br)cc1)[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423018270 500332049 /nfs/dbraw/zinc/33/20/49/500332049.db2.gz QOFZONMBFYNXSF-SATMZBOOSA-N 2 0 353.304 3.398 20 0 FGADRP C[C@H](CN(C)Cc1ccccc1)[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423025138 500332400 /nfs/dbraw/zinc/33/24/00/500332400.db2.gz KTJMEJQFMIKPSM-RZFNWQHOSA-N 2 0 365.521 3.352 20 0 FGADRP CCN1CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000423034947 500333011 /nfs/dbraw/zinc/33/30/11/500333011.db2.gz QVHRFFXYSARMEN-LHHCRTJQSA-N 2 0 353.432 3.112 20 0 FGADRP Fc1cccc(NCCC[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000423035579 500333900 /nfs/dbraw/zinc/33/39/00/500333900.db2.gz RWSADXRKFVQDJW-FPOVZHCZSA-N 2 0 355.457 3.473 20 0 FGADRP CCOC(=O)C1([C@@H](C)[NH2+][C@@H](C)CSc2ccc(C)cc2)CC[NH2+]CC1 ZINC000423044384 500334530 /nfs/dbraw/zinc/33/45/30/500334530.db2.gz AMHDVRDFYBDWJQ-DLBZAZTESA-N 2 0 364.555 3.387 20 0 FGADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]Cc1ccc(OCc2ccccc2F)cc1 ZINC000423051784 500335803 /nfs/dbraw/zinc/33/58/03/500335803.db2.gz PAYDYGMQWVTGLX-NYSBEXSLSA-N 2 0 358.457 3.247 20 0 FGADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C[C@@H](C1CC1)N(C)Cc1ccccc1 ZINC000423060408 500336950 /nfs/dbraw/zinc/33/69/50/500336950.db2.gz IBHHNNMQIJHAAE-ZHRRBRCNSA-N 2 0 352.526 3.410 20 0 FGADRP [NH3+]CC1CCC([NH2+][C@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)CC1 ZINC000423073927 500338721 /nfs/dbraw/zinc/33/87/21/500338721.db2.gz SQVFCRZVMBIQDL-HGMXIMQMSA-N 2 0 356.297 3.206 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccc(C)cc1Cl ZINC000426955964 500338970 /nfs/dbraw/zinc/33/89/70/500338970.db2.gz SVVPJXLEIANQHW-INIZCTEOSA-N 2 0 351.922 3.137 20 0 FGADRP c1ccc(CN2CCSC[C@@H]2C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000423075635 500339162 /nfs/dbraw/zinc/33/91/62/500339162.db2.gz PABBEHCCBQYHCZ-XSDIEEQYSA-N 2 0 359.583 3.114 20 0 FGADRP CCCOc1ccc(C[NH2+][C@H](C)C2(C(=O)OCC)CC[NH2+]CC2)c(C)c1 ZINC000423076648 500339231 /nfs/dbraw/zinc/33/92/31/500339231.db2.gz ZOZSQCWXRQNLBD-QGZVFWFLSA-N 2 0 362.514 3.195 20 0 FGADRP CCCOc1ccc(C[NH2+][C@@H](C)C2(C(=O)OCC)CC[NH2+]CC2)c(C)c1 ZINC000423076647 500339283 /nfs/dbraw/zinc/33/92/83/500339283.db2.gz ZOZSQCWXRQNLBD-KRWDZBQOSA-N 2 0 362.514 3.195 20 0 FGADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C[C@@H](CO)Cc1cc(F)c(F)c(F)c1 ZINC000423076709 500339533 /nfs/dbraw/zinc/33/95/33/500339533.db2.gz RTCXINMEZZZMET-KBMXLJTQSA-N 2 0 358.448 3.155 20 0 FGADRP COC(=O)c1csc(-c2cccc(C[NH2+][C@H]3CCCCC[C@@H]3[NH3+])c2)n1 ZINC000423082204 500340157 /nfs/dbraw/zinc/34/01/57/500340157.db2.gz WMMNAMOKEHYHOO-HOTGVXAUSA-N 2 0 359.495 3.346 20 0 FGADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+][C@H]1C[C@H](c2ccc(F)c(Br)c2)C1 ZINC000423093049 500340961 /nfs/dbraw/zinc/34/09/61/500340961.db2.gz FNBCYGZJFSTGPE-OTUNNCPPSA-N 2 0 371.294 3.176 20 0 FGADRP C[C@H](CCc1ccc(I)cc1)[NH2+][C@H]1CCC[NH2+]CC1 ZINC000423093115 500341048 /nfs/dbraw/zinc/34/10/48/500341048.db2.gz FUZZLIKQSNCNOC-CJNGLKHVSA-N 2 0 372.294 3.344 20 0 FGADRP COC[C@H](CCC[NH3+])[NH2+]CC1(c2ccc(Br)s2)CCC1 ZINC000423098616 500341820 /nfs/dbraw/zinc/34/18/20/500341820.db2.gz CYTIWYQEBCVKMV-LBPRGKRZSA-N 2 0 361.349 3.276 20 0 FGADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000423126587 500345887 /nfs/dbraw/zinc/34/58/87/500345887.db2.gz BBUBMADODMESMN-FDFHNCONSA-N 3 0 371.569 3.022 20 0 FGADRP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H](NCCC[NH2+]Cc2cccnc2)C3)cc1 ZINC000423182795 500352753 /nfs/dbraw/zinc/35/27/53/500352753.db2.gz FNCBLEJJEVCHTO-WBDAEOGXSA-N 2 0 364.537 3.347 20 0 FGADRP Cc1ccc(-c2nc3c(s2)[C@H]([NH2+]CCCN2CC[NH2+]CC2)CCC3)cc1 ZINC000423187937 500353419 /nfs/dbraw/zinc/35/34/19/500353419.db2.gz YPCIXEZRAIHRCB-GOSISDBHSA-N 2 0 370.566 3.381 20 0 FGADRP C[C@H](C[C@H](C)[NH3+])[NH2+]C1CCN(Cc2cccc(Br)c2)CC1 ZINC000423193215 500354208 /nfs/dbraw/zinc/35/42/08/500354208.db2.gz VLMKVXATEDYOBK-UONOGXRCSA-N 2 0 354.336 3.129 20 0 FGADRP C[C@H]([NH2+]CC[C@H]1CC[NH2+]C1)c1ccc(OC[C@@H]2CCCCO2)c(F)c1 ZINC000423250523 500358893 /nfs/dbraw/zinc/35/88/93/500358893.db2.gz QMSGGMZCIMHSSU-JZXOWHBKSA-N 2 0 350.478 3.424 20 0 FGADRP C[NH2+]C[C@@H](C)C[NH2+][C@H](C)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000423267803 500360064 /nfs/dbraw/zinc/36/00/64/500360064.db2.gz FGPLUDMYUPHFOY-IAGOWNOFSA-N 2 0 352.482 3.419 20 0 FGADRP CCC([NH3+])(CC)C[NH2+][C@@H]1CCCC[C@H](N2C(=O)c3ccccc3C2=O)C1 ZINC000423281571 500361319 /nfs/dbraw/zinc/36/13/19/500361319.db2.gz BNVROAHQQMZUAB-CVEARBPZSA-N 2 0 357.498 3.091 20 0 FGADRP CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+]Cc2ccc([C@H](C)[NH3+])cc2)cc1 ZINC000423294762 500362686 /nfs/dbraw/zinc/36/26/86/500362686.db2.gz VFYZZUYKVIWJBB-GJZGRUSLSA-N 2 0 361.511 3.319 20 0 FGADRP CN(C(=O)C1(C[NH+](C)C)CCCCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000427177688 500363395 /nfs/dbraw/zinc/36/33/95/500363395.db2.gz IIOKRKWQCZCOTI-FQEVSTJZSA-N 2 0 357.542 3.231 20 0 FGADRP [NH3+]C1C[C@H]2CCC[C@@H](C1)C2[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000423316160 500363415 /nfs/dbraw/zinc/36/34/15/500363415.db2.gz YBJWQNZDYCQMRK-HRXKGBARSA-N 3 0 353.554 3.393 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)c1ccc([C@H](C)[NH3+])cc1)Cc1ccccc1 ZINC000423334293 500364715 /nfs/dbraw/zinc/36/47/15/500364715.db2.gz SNXJNQCFRJTQDK-LAUBAEHRSA-N 2 0 353.510 3.389 20 0 FGADRP C[NH+](C)[C@@H](CNC(=O)C(C)(C)[C@@H]([NH3+])c1ccccc1)c1ccc(F)cc1 ZINC000423345852 500366296 /nfs/dbraw/zinc/36/62/96/500366296.db2.gz ZFTVDVQORXKXEF-OALUTQOASA-N 2 0 357.473 3.271 20 0 FGADRP C[C@H]1C[C@@H]([NH2+]C[C@H](N2CC[NH2+]CC2)C(F)(F)F)c2ccsc2S1 ZINC000423384173 500368676 /nfs/dbraw/zinc/36/86/76/500368676.db2.gz JXTDRPXPUKBSFT-UHTWSYAYSA-N 2 0 365.490 3.099 20 0 FGADRP C[C@@H]([NH3+])c1ccc(C(=O)N2CC[N@H+](Cc3ccccc3)C(C)(C)C2)cc1 ZINC000423382217 500368784 /nfs/dbraw/zinc/36/87/84/500368784.db2.gz ODGHZPZFZBQBGA-QGZVFWFLSA-N 2 0 351.494 3.443 20 0 FGADRP C[C@H]([NH2+][C@@H]1CC[NH2+]C[C@H]1C)c1ccc(OC[C@@H]2CCCCO2)c(F)c1 ZINC000423399655 500370410 /nfs/dbraw/zinc/37/04/10/500370410.db2.gz PSPPDFSVWWQKSZ-WXSAJPJJSA-N 2 0 350.478 3.422 20 0 FGADRP C[C@H]([NH3+])c1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000423409058 500371761 /nfs/dbraw/zinc/37/17/61/500371761.db2.gz BHNLUVZRXNKTOU-LLGFUMIMSA-N 2 0 351.494 3.347 20 0 FGADRP COc1cc(C)c(C[C@@H](C)[NH2+]C[C@H]2NCCc3ccccc32)cc1OC ZINC000423444572 500375345 /nfs/dbraw/zinc/37/53/45/500375345.db2.gz XXONOCZOTOIFJG-OXQOHEQNSA-N 2 0 354.494 3.420 20 0 FGADRP COc1ccccc1NC(=O)C[C@H](C)[NH2+][C@H](CCC[NH3+])c1ccccc1 ZINC000423515928 500381326 /nfs/dbraw/zinc/38/13/26/500381326.db2.gz XPWRFQLWSWLGQR-FUHWJXTLSA-N 2 0 355.482 3.482 20 0 FGADRP O=C(C[C@@H]1CCC[NH2+]CC1)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000427329004 500382004 /nfs/dbraw/zinc/38/20/04/500382004.db2.gz JISXIOMXWXTAHE-APWZRJJASA-N 2 0 363.933 3.373 20 0 FGADRP COc1cccc(NC(=O)C[C@H](C)[NH2+]CC2([NH3+])C3CC4CC(C3)CC2C4)c1 ZINC000423533026 500382778 /nfs/dbraw/zinc/38/27/78/500382778.db2.gz WJWUGRUXLCWQOZ-XPSJVXEXSA-N 2 0 371.525 3.156 20 0 FGADRP COc1cc([C@@H](C)[NH2+]CC2(N)CC[NH+](Cc3ccccc3)CC2)ccc1F ZINC000423580747 500386863 /nfs/dbraw/zinc/38/68/63/500386863.db2.gz YJLPNOAJGFHYAK-QGZVFWFLSA-N 2 0 371.500 3.478 20 0 FGADRP C[C@@H]([NH3+])c1ccc(C(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2F)cc1 ZINC000423749771 500399068 /nfs/dbraw/zinc/39/90/68/500399068.db2.gz SGECYOXZTTUXJT-CQSZACIVSA-N 2 0 361.436 3.189 20 0 FGADRP C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)C[C@@H]1CCCC[C@H]1[NH3+] ZINC000423754500 500399313 /nfs/dbraw/zinc/39/93/13/500399313.db2.gz YROCTJFCQYUIPI-FUHWJXTLSA-N 2 0 351.922 3.138 20 0 FGADRP C[C@H](CC(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)cc1)C1CC[NH2+]CC1 ZINC000423774688 500401037 /nfs/dbraw/zinc/40/10/37/500401037.db2.gz OIKOUKOXKZTCFP-KDOFPFPSSA-N 2 0 351.922 3.085 20 0 FGADRP [NH3+]C1CC[NH+](CCCC(=O)Nc2ccc(Cl)c(OC(F)F)c2)CC1 ZINC000423791044 500402110 /nfs/dbraw/zinc/40/21/10/500402110.db2.gz APRIJDYFSLXJLM-UHFFFAOYSA-N 2 0 361.820 3.083 20 0 FGADRP COc1cccc([C@H](CNC(=O)CC[C@H]2CCCC[N@@H+]2C)[NH+]2CCCC2)c1 ZINC000431655076 500403742 /nfs/dbraw/zinc/40/37/42/500403742.db2.gz WGZZQMFTDMQPJQ-CTNGQTDRSA-N 2 0 373.541 3.213 20 0 FGADRP CC[C@@H]1CN(C(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[N@@H+]1Cc1ccccc1 ZINC000423828927 500407885 /nfs/dbraw/zinc/40/78/85/500407885.db2.gz SHJLJPLLBLXSBQ-OTYNDTSQSA-N 2 0 355.526 3.030 20 0 FGADRP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)CC2(C[NH3+])CCCCC2)CC1 ZINC000423845240 500411246 /nfs/dbraw/zinc/41/12/46/500411246.db2.gz JZIATOAWUXQNST-QGZVFWFLSA-N 2 0 358.530 3.023 20 0 FGADRP [NH3+]C1(C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)CCCCC1 ZINC000423914461 500419023 /nfs/dbraw/zinc/41/90/23/500419023.db2.gz XXGGPQXHVAPLRY-UXHICEINSA-N 2 0 355.526 3.161 20 0 FGADRP C[N@H+](CCC(=O)N[C@@H](c1cccs1)c1ccccc1)C1CC[NH2+]CC1 ZINC000420270865 500431719 /nfs/dbraw/zinc/43/17/19/500431719.db2.gz JVODJVVLIBUXKF-HXUWFJFHSA-N 2 0 357.523 3.028 20 0 FGADRP COc1ccc([C@H](C[NH3+])C[N@H+](CCCO)[C@H]2CCCc3ccccc32)cc1 ZINC000420293764 500434874 /nfs/dbraw/zinc/43/48/74/500434874.db2.gz AJXWBSNSGAWYCJ-OFNKIYASSA-N 2 0 368.521 3.500 20 0 FGADRP [NH3+]C1(CNC(=O)CCCc2ccccc2)CC[NH+](Cc2ccccc2)CC1 ZINC000424016718 500437184 /nfs/dbraw/zinc/43/71/84/500437184.db2.gz DKEJISGMDVPCKA-UHFFFAOYSA-N 2 0 365.521 3.119 20 0 FGADRP CCC1(C(=O)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)CCCCC1 ZINC000424017361 500437363 /nfs/dbraw/zinc/43/73/63/500437363.db2.gz GOSCHQBLAWSDDD-UHFFFAOYSA-N 2 0 357.542 3.457 20 0 FGADRP COc1ccc([C@@H](C[NH3+])C[N@H+](CCCO)[C@H]2CCc3ccccc32)cc1 ZINC000420303063 500437769 /nfs/dbraw/zinc/43/77/69/500437769.db2.gz NAJMPDCQGOHLHQ-UGKGYDQZSA-N 2 0 354.494 3.109 20 0 FGADRP C[NH+](C)[C@H](CC(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000431903066 500441488 /nfs/dbraw/zinc/44/14/88/500441488.db2.gz MNKCMZOBCXPAST-FGZHOGPDSA-N 2 0 365.521 3.460 20 0 FGADRP Cc1ccc(C)c(C(=O)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)c1 ZINC000424041473 500441624 /nfs/dbraw/zinc/44/16/24/500441624.db2.gz UASYLQILESWEOE-UHFFFAOYSA-N 2 0 351.494 3.027 20 0 FGADRP Clc1cccc(-c2noc(CC[N@@H+]3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)n2)c1 ZINC000420324855 500441667 /nfs/dbraw/zinc/44/16/67/500441667.db2.gz HROLGVIFKYODJB-HZPDHXFCSA-N 2 0 360.889 3.254 20 0 FGADRP Cc1ccc(C(=O)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)c(C)c1 ZINC000424041777 500441684 /nfs/dbraw/zinc/44/16/84/500441684.db2.gz UTOIVZMOILHXCG-UHFFFAOYSA-N 2 0 351.494 3.027 20 0 FGADRP C[C@H](C(=O)N1CCC[C@@H]1c1cccs1)[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420324625 500441774 /nfs/dbraw/zinc/44/17/74/500441774.db2.gz HLAUOAOGWDZMQS-VSZNYVQBSA-N 2 0 361.555 3.122 20 0 FGADRP COc1ccc([C@H](C[NH3+])C[N@@H+](Cc2ccccc2)C[C@H]2CCCO2)cc1 ZINC000420323894 500441883 /nfs/dbraw/zinc/44/18/83/500441883.db2.gz UOSQXGXLYAYHCZ-IFMALSPDSA-N 2 0 354.494 3.419 20 0 FGADRP CC(C)Oc1ccc(C[NH+]2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)cc1Cl ZINC000420328651 500442675 /nfs/dbraw/zinc/44/26/75/500442675.db2.gz IFRYUXZUBNIRIS-MJGOQNOKSA-N 2 0 352.906 3.455 20 0 FGADRP C[C@H](C(=O)Nc1cc(Cl)ccc1F)[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420344434 500445679 /nfs/dbraw/zinc/44/56/79/500445679.db2.gz SXPVTJPAZCAWTO-HZSPNIEDSA-N 2 0 353.869 3.128 20 0 FGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]CCC2CC[NH2+]CC2)CC1 ZINC000420370023 500449128 /nfs/dbraw/zinc/44/91/28/500449128.db2.gz JIUJJUHSBZKPEI-QGZVFWFLSA-N 3 0 362.537 3.008 20 0 FGADRP [NH3+][C@H]1CCO[C@@H](C2CC[NH+](CCOc3cccc4ccccc43)CC2)C1 ZINC000420381342 500452080 /nfs/dbraw/zinc/45/20/80/500452080.db2.gz CITMPYOVZCXORH-SIKLNZKXSA-N 2 0 354.494 3.437 20 0 FGADRP C[C@@H]1CC[N@H+](CCC(=O)NC(c2ccccc2)c2ccccc2)C[C@H]1C[NH3+] ZINC000420400154 500455234 /nfs/dbraw/zinc/45/52/34/500455234.db2.gz IJEATHPHJPYQKL-WIYYLYMNSA-N 2 0 365.521 3.199 20 0 FGADRP CC(C)[C@@H]([NH3+])C(=O)N1CCC([N@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000428051740 500462729 /nfs/dbraw/zinc/46/27/29/500462729.db2.gz WXOJVCCVXIWZNG-QGZVFWFLSA-N 2 0 371.447 3.112 20 0 FGADRP [NH3+][C@H](CCC(=O)NCC1CCN(c2cc[nH+]cc2)CC1)CC1CCCCC1 ZINC000424179400 500463980 /nfs/dbraw/zinc/46/39/80/500463980.db2.gz YVYNGIYNUMPBOY-HXUWFJFHSA-N 2 0 372.557 3.492 20 0 FGADRP CO[C@H]1C[C@H]2C[C@H]([NH2+]CCCC[NH+]3CCN(c4ccccc4)CC3)C[C@H]2C1 ZINC000424265288 500478426 /nfs/dbraw/zinc/47/84/26/500478426.db2.gz JTHUTBBCOPUBRP-XBLRLVIHSA-N 2 0 371.569 3.382 20 0 FGADRP COCC[N@H+](C)CCCC1CC[NH+](CCN2CCc3ccccc32)CC1 ZINC000428290440 500492151 /nfs/dbraw/zinc/49/21/51/500492151.db2.gz XQYYUSWMBYUBFV-UHFFFAOYSA-N 2 0 359.558 3.120 20 0 FGADRP CC1CC[NH+](Cc2ccc(CNC(=O)N(C)C[C@H]3CCC[N@@H+]3C)cc2)CC1 ZINC000420755294 500495308 /nfs/dbraw/zinc/49/53/08/500495308.db2.gz CNFDJEWZIWRXJQ-OAQYLSRUSA-N 2 0 372.557 3.154 20 0 FGADRP COc1cc2[nH+]ccc(N3CC[C@@H]4C[NH2+]C[C@H]4C3)c2cc1Br ZINC000424407883 500498960 /nfs/dbraw/zinc/49/89/60/500498960.db2.gz CRHCPBAKHQTSOK-NEPJUHHUSA-N 2 0 362.271 3.052 20 0 FGADRP C[NH+](C)CCOc1cnccc1C[NH2+]Cc1ccc(OC(F)(F)F)cc1 ZINC000582383287 506199502 /nfs/dbraw/zinc/19/95/02/506199502.db2.gz UWJFUPZHGJKAPF-UHFFFAOYSA-N 2 0 369.387 3.210 20 0 FGADRP OCC[C@]1(C[NH2+][C@@H]2CCCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CCOC1 ZINC000428462048 500512477 /nfs/dbraw/zinc/51/24/77/500512477.db2.gz SVDBSEJMRWDDMZ-KAOXLYBCSA-N 2 0 372.553 3.056 20 0 FGADRP CC1CC[NH+](C2CCC(NC(=O)NC3CCC([NH+](C)C)CC3)CC2)CC1 ZINC000420893571 500523969 /nfs/dbraw/zinc/52/39/69/500523969.db2.gz QJARNQCZNTVXNM-UHFFFAOYSA-N 2 0 364.578 3.202 20 0 FGADRP C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)NC2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000428613298 500533496 /nfs/dbraw/zinc/53/34/96/500533496.db2.gz AQSNXTPQIXGDDS-CBQGHPETSA-N 2 0 363.505 3.331 20 0 FGADRP CC[C@H]1[NH2+]CC[C@@H]1C(=O)NCc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000573483087 506202587 /nfs/dbraw/zinc/20/25/87/506202587.db2.gz IPPKZFHEFURJLC-FCHUYYIVSA-N 2 0 365.521 3.420 20 0 FGADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000428856225 500566105 /nfs/dbraw/zinc/56/61/05/500566105.db2.gz LPLNOLGAELSFEA-HMXCVIKNSA-N 2 0 372.557 3.213 20 0 FGADRP COc1ccc(C[C@@H](C)C[NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)cc1F ZINC000433032794 500610079 /nfs/dbraw/zinc/61/00/79/500610079.db2.gz SDKMMNZVIUITRN-IAGOWNOFSA-N 2 0 352.494 3.103 20 0 FGADRP COc1ncc(C[N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)c(C)n1 ZINC000433068386 500618316 /nfs/dbraw/zinc/61/83/16/500618316.db2.gz PANVQRRFVSEWBS-UHFFFAOYSA-N 2 0 366.509 3.282 20 0 FGADRP C[NH+](C)[C@@H](CC(=O)NC1CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000433110903 500628443 /nfs/dbraw/zinc/62/84/43/500628443.db2.gz CUALCZYAGCJZPE-QFIPXVFZSA-N 2 0 365.521 3.460 20 0 FGADRP [NH3+]C1CC[NH+](CCCC(=O)N2CCC[C@@H]2c2nc3ccccc3s2)CC1 ZINC000433112961 500628578 /nfs/dbraw/zinc/62/85/78/500628578.db2.gz AVSYDPIEDNPKGP-QGZVFWFLSA-N 2 0 372.538 3.163 20 0 FGADRP CC(C)(CCCc1ccccc1)CNC(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433136712 500633141 /nfs/dbraw/zinc/63/31/41/500633141.db2.gz REICNFGCNQCVQJ-UHFFFAOYSA-N 2 0 359.558 3.355 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)CCC[NH+]2CCC([NH3+])CC2)cc1 ZINC000433135599 500633214 /nfs/dbraw/zinc/63/32/14/500633214.db2.gz JPMJFLQXJRWEQM-GOSISDBHSA-N 3 0 372.557 3.203 20 0 FGADRP [NH3+]C1CC[NH+](CCCC(=O)N[C@@H](c2ccccc2F)C2CCCC2)CC1 ZINC000433144258 500634480 /nfs/dbraw/zinc/63/44/80/500634480.db2.gz BOUKJYDJXNDJMG-OAQYLSRUSA-N 2 0 361.505 3.377 20 0 FGADRP CC[C@@H](NC(=O)CCC[NH+]1CCC([NH3+])CC1)c1ccccc1OC(F)F ZINC000433145783 500634542 /nfs/dbraw/zinc/63/45/42/500634542.db2.gz RVCMDQDRPBARQK-MRXNPFEDSA-N 2 0 369.456 3.059 20 0 FGADRP [NH3+]C1CC[NH+](CCCC(=O)Nc2ccc(Oc3ccc(F)cc3)nc2)CC1 ZINC000433149673 500635184 /nfs/dbraw/zinc/63/51/84/500635184.db2.gz DTTIHNRMCXWPOG-UHFFFAOYSA-N 2 0 372.444 3.155 20 0 FGADRP Cc1ccc(NC(=O)C(C)(C)C)cc1NC(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433153390 500635890 /nfs/dbraw/zinc/63/58/90/500635890.db2.gz VUOJEMPEKWFSQN-UHFFFAOYSA-N 2 0 374.529 3.121 20 0 FGADRP C[N@@H+]1CCN(CC[NH2+][C@@H]2CCCOc3cc4c(cc32)CCCC4)CC1(C)C ZINC000442868088 500636911 /nfs/dbraw/zinc/63/69/11/500636911.db2.gz BNEHZFKWAVVBOT-OAQYLSRUSA-N 2 0 371.569 3.395 20 0 FGADRP [NH3+]CC[C@@H]1CCC[N@H+](Cc2cc(Br)c3c(c2)OCCCO3)C1 ZINC000442923696 500647645 /nfs/dbraw/zinc/64/76/45/500647645.db2.gz WQBFYRRUXGZCTH-ZDUSSCGKSA-N 2 0 369.303 3.171 20 0 FGADRP COc1cc(C[N@@H+]2CCC[C@H](CC[NH3+])C2)ccc1OCc1ccncc1 ZINC000442928526 500648354 /nfs/dbraw/zinc/64/83/54/500648354.db2.gz PPDAQOLJTQKBAA-QGZVFWFLSA-N 2 0 355.482 3.230 20 0 FGADRP Cn1cncc1CNC(=O)NCc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000576678448 506209163 /nfs/dbraw/zinc/20/91/63/506209163.db2.gz QQEANZSBDLMORR-UHFFFAOYSA-N 2 0 369.513 3.184 20 0 FGADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@H](CN2CCCC2=O)c2cccc(C(F)(F)F)c2)C1 ZINC000576648591 506205335 /nfs/dbraw/zinc/20/53/35/506205335.db2.gz QDFWOMDFEPMSAR-IXDOHACOSA-N 2 0 369.431 3.228 20 0 FGADRP C[C@H](NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](CC[NH3+])C1)c1ccc2c(c1)CCCC2 ZINC000443054781 500669574 /nfs/dbraw/zinc/66/95/74/500669574.db2.gz AEJUAKIJNCFECX-BZSNNMDCSA-N 2 0 357.542 3.192 20 0 FGADRP CC1(C)CC(NC(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)CC(C)(C)[NH2+]1 ZINC000437629641 500672046 /nfs/dbraw/zinc/67/20/46/500672046.db2.gz ZACHWJAZFUIWTO-GOSISDBHSA-N 2 0 364.578 3.392 20 0 FGADRP C[NH+](C)Cc1ccc(CNC(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)cc1 ZINC000437634772 500672877 /nfs/dbraw/zinc/67/28/77/500672877.db2.gz KZIKBOCGPMPHAH-NRFANRHFSA-N 2 0 372.557 3.345 20 0 FGADRP C[C@@H](NC(=O)[C@@]12CCC[C@@H]1C[N@H+](Cc1ccccc1)C2)C1=CC[NH+](C)CC1 ZINC000443122195 500683193 /nfs/dbraw/zinc/68/31/93/500683193.db2.gz ZYRMPYPTBGJHJL-JMUQELJHSA-N 2 0 367.537 3.055 20 0 FGADRP c1ccc(COc2ccccc2C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)nc1 ZINC000573564892 506212518 /nfs/dbraw/zinc/21/25/18/506212518.db2.gz MBDRBOVCBRWYHG-IBGZPJMESA-N 2 0 351.494 3.482 20 0 FGADRP C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)NCCCCC[NH+]1CCCCC1 ZINC000447964189 500698274 /nfs/dbraw/zinc/69/82/74/500698274.db2.gz PKPOITQJKZZGEW-GOSISDBHSA-N 2 0 352.567 3.062 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc2ccoc2c1 ZINC000443376313 500715941 /nfs/dbraw/zinc/71/59/41/500715941.db2.gz WMBWZTZOUPRBHH-SFHVURJKSA-N 2 0 358.486 3.313 20 0 FGADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)C1 ZINC000448214043 500734288 /nfs/dbraw/zinc/73/42/88/500734288.db2.gz PABTYKHVAJKPJU-VAMGGRTRSA-N 2 0 366.594 3.022 20 0 FGADRP O=C(C[NH+]1CCC(CCC[NH+]2CCCC2)CC1)N1CCc2ccccc21 ZINC000443589303 500742680 /nfs/dbraw/zinc/74/26/80/500742680.db2.gz FVSLUZYKRBWUGC-UHFFFAOYSA-N 2 0 355.526 3.164 20 0 FGADRP Cc1ccc(Cl)c(OC[C@@H](O)C[NH2+]C[C@@H]2CCC[N@@H+](C(C)C)C2)c1 ZINC000570710424 506214725 /nfs/dbraw/zinc/21/47/25/506214725.db2.gz ZTLIRGDSUWHROT-IRXDYDNUSA-N 2 0 354.922 3.098 20 0 FGADRP CC(C)[C@H](C(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)[C@@H](C)[NH3+] ZINC000570712666 506214846 /nfs/dbraw/zinc/21/48/46/506214846.db2.gz NLXBGIWQFOMHFH-JLSDUUJJSA-N 2 0 351.922 3.213 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@@H]2CCC[NH+]2C2CCCCC2)[C@H](C)C1 ZINC000438329647 500770958 /nfs/dbraw/zinc/77/09/58/500770958.db2.gz RFOTXGSTVPYVLW-HOJAQTOUSA-N 2 0 364.578 3.155 20 0 FGADRP C[C@@H](C(=O)N(C)c1ccc(OCC[NH+]2CCCC2)cc1)[NH+]1CCCCCC1 ZINC000434178525 500806923 /nfs/dbraw/zinc/80/69/23/500806923.db2.gz WSKAJULCVQZAQF-IBGZPJMESA-N 2 0 373.541 3.389 20 0 FGADRP C[C@H](C(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000607664869 506219215 /nfs/dbraw/zinc/21/92/15/506219215.db2.gz LJPKKGIINCOKLR-KNKQGSTJSA-N 2 0 371.569 3.271 20 0 FGADRP CC(C[NH+]1CCC([C@H]2CCCO2)CC1)C[NH+]1CCC([C@H]2CCCO2)CC1 ZINC000439298799 500882521 /nfs/dbraw/zinc/88/25/21/500882521.db2.gz VVHQSWFQXLTJGX-FGZHOGPDSA-N 2 0 364.574 3.405 20 0 FGADRP CC[NH+](CC)CCOc1ccc(NC(=O)NC2(C[NH+](C)C)CCC2)cc1 ZINC000439517020 500909581 /nfs/dbraw/zinc/90/95/81/500909581.db2.gz GZDKMLYNUBXKPK-UHFFFAOYSA-N 2 0 362.518 3.013 20 0 FGADRP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]CCCOC[C@H]2CCCO2)CC1 ZINC000449066530 500915704 /nfs/dbraw/zinc/91/57/04/500915704.db2.gz CNXDHEXCJGHCPP-SIKLNZKXSA-N 2 0 360.542 3.257 20 0 FGADRP C[NH+](C)CCN1CCC([NH2+]Cc2cnc(-c3ccccc3F)s2)CC1 ZINC000449072065 500916998 /nfs/dbraw/zinc/91/69/98/500916998.db2.gz DNQINNDWYBQKLO-UHFFFAOYSA-N 2 0 362.518 3.065 20 0 FGADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H](C)COc2ccc(Cl)c(Cl)c2)CC1 ZINC000449075671 500918647 /nfs/dbraw/zinc/91/86/47/500918647.db2.gz FVNJRDFHXZIPIU-LSDHHAIUSA-N 2 0 374.356 3.376 20 0 FGADRP CC[NH+]1CCN(Cc2ccccc2C[NH2+]Cc2cc(F)cc(OC)c2)CC1 ZINC000449083619 500920962 /nfs/dbraw/zinc/92/09/62/500920962.db2.gz URTCRNYEASLCPJ-UHFFFAOYSA-N 2 0 371.500 3.262 20 0 FGADRP CC(=O)NC1CCC([NH2+]C2CC[NH+]([C@H](C)Cc3ccccc3)CC2)CC1 ZINC000449111996 500928383 /nfs/dbraw/zinc/92/83/83/500928383.db2.gz OUXOYOFNEXSZGW-MDMXATFFSA-N 2 0 357.542 3.119 20 0 FGADRP C[C@H](COc1ccc(Cl)c(Cl)c1)[NH2+]CC1CC[NH+](CCO)CC1 ZINC000449121238 500930073 /nfs/dbraw/zinc/93/00/73/500930073.db2.gz GSCQFQOVSLKJOT-CYBMUJFWSA-N 2 0 361.313 3.055 20 0 FGADRP C[C@@H](Cc1ccccc1)[NH+]1CCC(NC[C@@]2([NH+](C)C)CCSC2)CC1 ZINC000449174967 500940938 /nfs/dbraw/zinc/94/09/38/500940938.db2.gz JGNRIQPBJBZKLB-RXVVDRJESA-N 2 0 361.599 3.109 20 0 FGADRP C[NH+](C)CCCOc1ccc(CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)cc1 ZINC000439839154 500944187 /nfs/dbraw/zinc/94/41/87/500944187.db2.gz VBHSGIZKCSEPMP-OAQYLSRUSA-N 2 0 373.541 3.040 20 0 FGADRP O=C(NCC[NH+]1CCCC1)c1ccc(C[NH2+][C@@H]2CCCC23CCC3)cc1 ZINC000449227278 500952485 /nfs/dbraw/zinc/95/24/85/500952485.db2.gz UCKOZFDSVIDVNQ-HXUWFJFHSA-N 2 0 355.526 3.325 20 0 FGADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1cnc(-c2ccccc2F)s1 ZINC000449251388 500957132 /nfs/dbraw/zinc/95/71/32/500957132.db2.gz RNHMMWJWERSFRU-HNNXBMFYSA-N 2 0 362.518 3.065 20 0 FGADRP COCCO[C@H]1COCC[C@@H]1[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449255820 500958711 /nfs/dbraw/zinc/95/87/11/500958711.db2.gz GKWUPKCDFCHPTF-OALUTQOASA-N 2 0 370.578 3.076 20 0 FGADRP COc1ccc(Cn2nc(C)c(C[NH+]3CCC([C@@H](C)[NH3+])CC3)c2C)cc1 ZINC000435374764 500962574 /nfs/dbraw/zinc/96/25/74/500962574.db2.gz YEIJQQLUTFZXSV-OAHLLOKOSA-N 2 0 356.514 3.116 20 0 FGADRP [NH3+]C[C@@H]1CC[N@H+](Cc2cn(Cc3ccccc3)nc2-c2cccs2)C1 ZINC000435378152 500963319 /nfs/dbraw/zinc/96/33/19/500963319.db2.gz CGXAPTHRZCHNLM-KRWDZBQOSA-N 2 0 352.507 3.441 20 0 FGADRP COc1ccc(Cn2nc(C)c(C[N@@H+]3CCC[C@H]([C@H](C)[NH3+])C3)c2C)cc1 ZINC000435380536 500963532 /nfs/dbraw/zinc/96/35/32/500963532.db2.gz OQCQSSHXCTYJNU-KXBFYZLASA-N 2 0 356.514 3.116 20 0 FGADRP Cc1nn(-c2ccc(F)cc2F)c(C)c1C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000435380481 500963880 /nfs/dbraw/zinc/96/38/80/500963880.db2.gz NZVHMNUDRCIDMI-YJLNNSPDSA-N 2 0 360.452 3.327 20 0 FGADRP COc1cc(C[N@H+](C)CC[C@H]([NH3+])C(C)C)ccc1OCc1ccncc1 ZINC000435383391 500964212 /nfs/dbraw/zinc/96/42/12/500964212.db2.gz ICMGBHOASBYHCE-IBGZPJMESA-N 2 0 357.498 3.474 20 0 FGADRP C[C@H]([NH3+])C1CC[NH+](Cc2cc(Cl)ccc2OC[C@@H]2CCCO2)CC1 ZINC000435381443 500964423 /nfs/dbraw/zinc/96/44/23/500964423.db2.gz WJDSNBYZUMTZPU-KSSFIOAISA-N 2 0 352.906 3.457 20 0 FGADRP Cc1cccn2cc(COc3ccc(C[N@@H+]4CC[C@@H](C[NH3+])C4)cc3)nc12 ZINC000435388473 500965674 /nfs/dbraw/zinc/96/56/74/500965674.db2.gz HEJTVJULOQLKOU-SFHVURJKSA-N 3 0 350.466 3.002 20 0 FGADRP O=C(NC1CC[NH+](Cc2ccccc2)CC1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000440159848 500981959 /nfs/dbraw/zinc/98/19/59/500981959.db2.gz LGNLVHGKMUWVQA-OAQYLSRUSA-N 2 0 355.526 3.174 20 0 FGADRP CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2C(C)C ZINC000440182953 500985372 /nfs/dbraw/zinc/98/53/72/500985372.db2.gz FFWHSHODRFVBCF-AABGKKOBSA-N 2 0 364.578 3.154 20 0 FGADRP c1ccc(C[N@@H+](CCc2ccc3c(c2)CCO3)[C@H]2CCC[NH2+]CC2)nc1 ZINC000435616257 501002110 /nfs/dbraw/zinc/00/21/10/501002110.db2.gz KEHLLIFZHHJNQV-NRFANRHFSA-N 2 0 351.494 3.203 20 0 FGADRP CCN(CC(=O)N(Cc1ccccc1)[C@@H](C)C1CC1)[C@H]1CCC[NH2+]CC1 ZINC000435617248 501002607 /nfs/dbraw/zinc/00/26/07/501002607.db2.gz VOPDLHFABMNRJH-RXVVDRJESA-N 2 0 357.542 3.278 20 0 FGADRP c1csc(C[N@@H+](CCc2ccc3c(c2)CCO3)[C@@H]2CC23CC[NH2+]CC3)n1 ZINC000435688497 501011944 /nfs/dbraw/zinc/01/19/44/501011944.db2.gz PUNXEZDIMFGWCG-LJQANCHMSA-N 2 0 369.534 3.265 20 0 FGADRP CCC[NH+]1CCN(c2ccccc2C[NH2+]CCc2ncccc2C)CC1 ZINC000449488157 501015742 /nfs/dbraw/zinc/01/57/42/501015742.db2.gz DEEJSVGHTDWQQF-UHFFFAOYSA-N 2 0 352.526 3.254 20 0 FGADRP CCC[NH+]1CCN(c2ccccc2C[N@@H+]2CC[C@@H]3C[C@@H](O)CC[C@@H]3C2)CC1 ZINC000449550156 501030639 /nfs/dbraw/zinc/03/06/39/501030639.db2.gz CJKKCSKMVBEBNP-SJBKTWHCSA-N 2 0 371.569 3.202 20 0 FGADRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2ccc(OCC(F)(F)F)cc2)CC1 ZINC000449746223 501073405 /nfs/dbraw/zinc/07/34/05/501073405.db2.gz QOQDDSZTKPBWKW-UHFFFAOYSA-N 2 0 373.463 3.133 20 0 FGADRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2ccc(Br)s2)CC1 ZINC000449755726 501076296 /nfs/dbraw/zinc/07/62/96/501076296.db2.gz UPKJGOJOJLORFF-UHFFFAOYSA-N 2 0 360.365 3.016 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)N(C)CC1([NH+](C)C)CCC1)c1ccccc1 ZINC000446136624 501080237 /nfs/dbraw/zinc/08/02/37/501080237.db2.gz KCPHNEJYEFTACJ-IBGZPJMESA-N 2 0 360.546 3.195 20 0 FGADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+][C@@H]3CCO[C@H](c4nccn4C)C3)CC2)C1 ZINC000449777816 501084264 /nfs/dbraw/zinc/08/42/64/501084264.db2.gz VPFUFXYIHBIGMK-LMCOJAPRSA-N 2 0 360.546 3.273 20 0 FGADRP C[NH+](C)CCOc1cccc(C[NH2+]Cc2c[nH]nc2-c2ccsc2)c1 ZINC000436274231 501100358 /nfs/dbraw/zinc/10/03/58/501100358.db2.gz LTIPYQRSNMRHFX-UHFFFAOYSA-N 2 0 356.495 3.368 20 0 FGADRP CN(C)c1ccccc1C[NH+]1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000441322286 501120200 /nfs/dbraw/zinc/12/02/00/501120200.db2.gz JQYPVYFVQQTLGR-UHFFFAOYSA-N 2 0 366.553 3.002 20 0 FGADRP CC[NH+](CC)CCN(Cc1ccccc1)C(=O)N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000441382165 501130834 /nfs/dbraw/zinc/13/08/34/501130834.db2.gz NKEROCDJCOCAJY-QUCCMNQESA-N 2 0 372.557 3.165 20 0 FGADRP CC[NH+](CC)CC1CCN(C(=O)Nc2ccccc2CC[NH+](C)C)CC1 ZINC000446565827 501134259 /nfs/dbraw/zinc/13/42/59/501134259.db2.gz QCXAINXBMZQPEL-UHFFFAOYSA-N 2 0 360.546 3.376 20 0 FGADRP CCc1cc(N2CCN([C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)cc[nH+]1 ZINC000450524212 501144816 /nfs/dbraw/zinc/14/48/16/501144816.db2.gz BHVQDGNZFNBISK-QFIPXVFZSA-N 2 0 350.510 3.041 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cc2ccccc2cc1O ZINC000436536772 501150903 /nfs/dbraw/zinc/15/09/03/501150903.db2.gz QFVCEFOXWAQSSG-IBGZPJMESA-N 2 0 369.509 3.034 20 0 FGADRP COc1ccc([C@@H](CCn2cncn2)[NH2+]CCC[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000446750348 501160729 /nfs/dbraw/zinc/16/07/29/501160729.db2.gz GINSWFNGDNSHLI-GHTZIAJQSA-N 2 0 371.529 3.272 20 0 FGADRP CCC[NH+]1CCC(C[NH2+][C@@H](CCn2cncn2)c2ccc(C)cc2)CC1 ZINC000446816735 501167844 /nfs/dbraw/zinc/16/78/44/501167844.db2.gz HCXRYNXOIVVPOJ-NRFANRHFSA-N 2 0 355.530 3.430 20 0 FGADRP CC(C)[C@@H](COCc1ccccc1)[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000446837296 501170839 /nfs/dbraw/zinc/17/08/39/501170839.db2.gz WPIHAZSPAVSYBD-IFMALSPDSA-N 2 0 360.542 3.318 20 0 FGADRP Cc1cc(N2CCC[C@H]([NH2+]C3CC[NH+]([C@@H]4CCCC[C@@H]4C)CC3)C2)n(C)n1 ZINC000446920533 501181120 /nfs/dbraw/zinc/18/11/20/501181120.db2.gz MNLKJOCNZGPDGR-DZFGPLHGSA-N 2 0 373.589 3.330 20 0 FGADRP Cn1cc(CCC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)cn1 ZINC000453085731 501265745 /nfs/dbraw/zinc/26/57/45/501265745.db2.gz GIOOKNYPCHUTJR-YPAWHYETSA-N 2 0 352.526 3.386 20 0 FGADRP C[C@H]([NH2+]CCCC[NH+](C)C)c1ccc(F)c(I)c1 ZINC000453089578 501266512 /nfs/dbraw/zinc/26/65/12/501266512.db2.gz OFPOTXYULFKWRZ-NSHDSACASA-N 2 0 364.246 3.423 20 0 FGADRP CCC(CC)[C@H](CNC(=O)NCc1ccc2c[nH+]cn2c1)[NH+]1CCCC1 ZINC000457610607 501267790 /nfs/dbraw/zinc/26/77/90/501267790.db2.gz KBVRKPRILFFFQC-IBGZPJMESA-N 2 0 357.502 3.034 20 0 FGADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000453126754 501274824 /nfs/dbraw/zinc/27/48/24/501274824.db2.gz KTQMVNCRTFDGET-ODAXIHTASA-N 3 0 373.585 3.376 20 0 FGADRP c1ccc(C[N@@H+]2CC[C@H]([NH2+][C@@H]3CCO[C@]4(CCOC4)C3)[C@@H]3CCC[C@H]32)cc1 ZINC000453161140 501282197 /nfs/dbraw/zinc/28/21/97/501282197.db2.gz IRPSNRGWMWHKNC-BMXMUORJSA-N 2 0 370.537 3.357 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)N(C)[C@@H]1CC[N@@H+](C(C)C)C1)c1ccsc1 ZINC000457695581 501289397 /nfs/dbraw/zinc/28/93/97/501289397.db2.gz VDMGPXCVKIVVLN-MSOLQXFVSA-N 2 0 366.575 3.255 20 0 FGADRP C[C@H](CNC(=O)N(CC[NH+](C)C)Cc1ccsc1)[N@@H+]1CCCC[C@@H]1C ZINC000457705950 501291733 /nfs/dbraw/zinc/29/17/33/501291733.db2.gz LNQGSCNFKDQEON-DLBZAZTESA-N 2 0 366.575 3.084 20 0 FGADRP CCn1ccnc1[C@@H](C)NC(=O)NC[C@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC000455482154 501314854 /nfs/dbraw/zinc/31/48/54/501314854.db2.gz XJSJVVDOKDJNAC-IEBWSBKVSA-N 2 0 369.513 3.409 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCO[C@H](c3cccnc3)C2)[C@@H](C)C1 ZINC000453333493 501316932 /nfs/dbraw/zinc/31/69/32/501316932.db2.gz ITGAVRCJNYTOEI-NRDMVMEKSA-N 2 0 361.530 3.028 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)NCCCC[NH+](C)C1CC1 ZINC000455626467 501350739 /nfs/dbraw/zinc/35/07/39/501350739.db2.gz YKNDBIFRXBMCGA-RBUKOAKNSA-N 2 0 372.557 3.165 20 0 FGADRP C[NH+](C)CC1(CNC(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)CCCC1 ZINC000455849415 501400032 /nfs/dbraw/zinc/40/00/32/501400032.db2.gz KARIGHSAXZGGMA-LJQANCHMSA-N 2 0 358.530 3.479 20 0 FGADRP C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000455868712 501403269 /nfs/dbraw/zinc/40/32/69/501403269.db2.gz VYZSCEMJUWZWJJ-UIAACRFSSA-N 2 0 356.514 3.326 20 0 FGADRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2cc(Br)ccc2C)CC1 ZINC000451979361 501412147 /nfs/dbraw/zinc/41/21/47/501412147.db2.gz GQJAPZCHZFADNW-UHFFFAOYSA-N 2 0 368.363 3.263 20 0 FGADRP C[NH+](C)[C@@H]1CCc2cc(NC(=O)N3CC[C@H](C4CC[NH+](C)CC4)C3)ccc21 ZINC000455935024 501420005 /nfs/dbraw/zinc/42/00/05/501420005.db2.gz RERWRLZQPSBKKM-GHTZIAJQSA-N 2 0 370.541 3.431 20 0 FGADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)C1 ZINC000455949732 501424135 /nfs/dbraw/zinc/42/41/35/501424135.db2.gz YYNUGHKCIOZBIV-OXJNMPFZSA-N 2 0 358.530 3.431 20 0 FGADRP C[C@H]1C[C@@H](NC(=O)NC(C)(C)CCC[NH+](C)C)C[N@@H+]1Cc1ccccc1 ZINC000458575550 501478294 /nfs/dbraw/zinc/47/82/94/501478294.db2.gz XVJXSSODRJRUEB-PKOBYXMFSA-N 2 0 360.546 3.069 20 0 FGADRP CCN(CC[NH+]1CCCCCC1)C(=O)NCCCCC[NH+]1CCCC1 ZINC000458842633 501542565 /nfs/dbraw/zinc/54/25/65/501542565.db2.gz HFUZPSBIUYGDKS-UHFFFAOYSA-N 2 0 352.567 3.160 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)NCC[C@@H]1CCC[NH+](C)C1 ZINC000459271211 501622803 /nfs/dbraw/zinc/62/28/03/501622803.db2.gz VWYGNNJCALUANY-CTNGQTDRSA-N 2 0 372.557 3.024 20 0 FGADRP CN1CCC([NH+]2CCC(CC[N@H+](C)CCOCC3CCCC3)CC2)CC1 ZINC000459336082 501633675 /nfs/dbraw/zinc/63/36/75/501633675.db2.gz BTUPRZDTXQULMR-UHFFFAOYSA-N 2 0 365.606 3.321 20 0 FGADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]Cc2ccccc2N2CCO[C@@H](C)C2)C1 ZINC000459447408 501655425 /nfs/dbraw/zinc/65/54/25/501655425.db2.gz JODXQBSJCHUTKC-VQTJNVASSA-N 2 0 359.558 3.369 20 0 FGADRP C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000459724399 501704341 /nfs/dbraw/zinc/70/43/41/501704341.db2.gz ASZWJLTVCDLRCV-IAGOWNOFSA-N 2 0 365.949 3.399 20 0 FGADRP COc1ccc([C@H](CO)C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3C)CC2)cc1 ZINC000459757344 501709543 /nfs/dbraw/zinc/70/95/43/501709543.db2.gz RPFOVCGFUZQQIY-LQBOVUBWSA-N 2 0 360.542 3.404 20 0 FGADRP CO[C@H]1C[NH+](Cc2ccccc2C[N@@H+]2CC[C@@H](C)[C@H](OC)C2)CC[C@@H]1C ZINC000467289165 501759963 /nfs/dbraw/zinc/75/99/63/501759963.db2.gz MCBDRGZJGUPVBR-VVIORFSUSA-N 2 0 360.542 3.400 20 0 FGADRP CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC(=O)c1ccc2c(c1)CC[NH2+]CC2 ZINC000474291453 501778257 /nfs/dbraw/zinc/77/82/57/501778257.db2.gz GXHRQXWQGYKGDG-LEWJYISDSA-N 2 0 357.542 3.005 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccccc2-n2ccnc2)[C@@H](C)C1 ZINC000481544824 501809948 /nfs/dbraw/zinc/80/99/48/501809948.db2.gz BMAPOZQDJVOWCG-ICSRJNTNSA-N 2 0 356.514 3.099 20 0 FGADRP CC(C)C[NH+]1CCC(NC(=O)N[C@H](C)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000477884929 501819430 /nfs/dbraw/zinc/81/94/30/501819430.db2.gz VEOUVWFMNUDFOQ-YLJYHZDGSA-N 2 0 360.546 3.097 20 0 FGADRP CC[C@H](C)[NH2+][C@@H](CNC(=O)NC1CC[NH+](CC(C)C)CC1)c1ccco1 ZINC000477884694 501819996 /nfs/dbraw/zinc/81/99/96/501819996.db2.gz WZZNROWQWKNNRM-WMZOPIPTSA-N 2 0 364.534 3.128 20 0 FGADRP CCCC[N@H+](C)C[C@H](C)NC(=O)N[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000460481126 501834839 /nfs/dbraw/zinc/83/48/39/501834839.db2.gz RJGHQIOATYVVMK-ZJOUEHCJSA-N 2 0 374.573 3.459 20 0 FGADRP Cc1cccc(N2CC[NH+](CCCC[NH2+]Cc3cnccc3C)CC2)c1 ZINC000474491747 501854390 /nfs/dbraw/zinc/85/43/90/501854390.db2.gz REMFMHFNZLSVPE-UHFFFAOYSA-N 2 0 352.526 3.390 20 0 FGADRP CCCC[N@H+](C)C[C@H](C)NC(=O)N[C@@H](C)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000460652958 501886252 /nfs/dbraw/zinc/88/62/52/501886252.db2.gz XQDUFRQYZIHUKV-BZSNNMDCSA-N 2 0 352.567 3.059 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C/C=C/c1ccc(F)cc1 ZINC000474629628 501899968 /nfs/dbraw/zinc/89/99/68/501899968.db2.gz NBOIHDDYNPQOMT-CYXJOQHWSA-N 2 0 361.505 3.104 20 0 FGADRP COC(=O)C[C@@H]1CC[C@H]([NH2+]CC2CC[NH+](Cc3ccccc3)CC2)[C@@H]1C ZINC000474631148 501901133 /nfs/dbraw/zinc/90/11/33/501901133.db2.gz MPUUYOZRESKBST-QMMLZNLJSA-N 2 0 358.526 3.466 20 0 FGADRP CC(C)[C@H]1CCC[C@H]([NH2+]CCCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC000474732284 501936152 /nfs/dbraw/zinc/93/61/52/501936152.db2.gz UVJKIPMPBFKYMY-PMACEKPBSA-N 2 0 359.562 3.183 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)[C@@H]2CCN2Cc2ccccc2)C1 ZINC000468130834 501967363 /nfs/dbraw/zinc/96/73/63/501967363.db2.gz PQCUNCJBBCWTQS-NSHGMRRFSA-N 2 0 357.542 3.134 20 0 FGADRP C[C@@H]1C[NH+](CCOc2ccc(CC[NH2+][C@@H]3CCOC[C@H]3C)cc2)C[C@H]1C ZINC000474876027 501977646 /nfs/dbraw/zinc/97/76/46/501977646.db2.gz IWPLOZVRMKQHDD-JPAWQOSXSA-N 2 0 360.542 3.210 20 0 FGADRP CC(C)C[C@@H]([NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1)c1ccccn1 ZINC000482109080 501977853 /nfs/dbraw/zinc/97/78/53/501977853.db2.gz JCQGYCCZMBQCOK-JOCHJYFZSA-N 2 0 367.541 3.366 20 0 FGADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC000485891759 501978541 /nfs/dbraw/zinc/97/85/41/501978541.db2.gz BXTNBQCWYAZTTM-FXAWDEMLSA-N 2 0 351.494 3.314 20 0 FGADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCC(=O)N1CCCCCC1 ZINC000482113379 501978864 /nfs/dbraw/zinc/97/88/64/501978864.db2.gz JTRGQPXXEWVJGO-PZJWPPBQSA-N 2 0 357.542 3.279 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC2(c3ccccc3OC)CC2)[C@@H](C)C1 ZINC000482129041 501983470 /nfs/dbraw/zinc/98/34/70/501983470.db2.gz RKXIDNDLCMDILI-ICSRJNTNSA-N 2 0 360.542 3.453 20 0 FGADRP Fc1ccc2c(c1)CC[C@H]2[NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000482145210 501989244 /nfs/dbraw/zinc/98/92/44/501989244.db2.gz NMMBVSXRLVGUOV-OAQYLSRUSA-N 2 0 354.473 3.010 20 0 FGADRP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]CCC(=O)Nc1cc(N)ccc1F ZINC000482152685 501990968 /nfs/dbraw/zinc/99/09/68/501990968.db2.gz ACTQMKZUAQOGOO-MAUKXSAKSA-N 2 0 364.509 3.227 20 0 FGADRP CN(CC[C@H]1CCC[N@@H+]1C)[C@@H]1CCCC[C@H]1[NH+](C)CC[C@H]1CCC[NH+]1C ZINC000464494284 502004586 /nfs/dbraw/zinc/00/45/86/502004586.db2.gz AKISQLBYHPFWKA-GXRSIYKFSA-N 2 0 364.622 3.130 20 0 FGADRP C[C@@H](CC[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1)OCc1ccccc1 ZINC000474979616 502011126 /nfs/dbraw/zinc/01/11/26/502011126.db2.gz YWTXHLFSEBEBLW-ATNRPFFGSA-N 2 0 371.569 3.225 20 0 FGADRP c1cc(CCC[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)cc2c1OCC2 ZINC000482251249 502021055 /nfs/dbraw/zinc/02/10/55/502021055.db2.gz XIOAJQIOTKNQPF-UHFFFAOYSA-N 2 0 372.553 3.379 20 0 FGADRP COc1ccc(Cn2nc(C)c(C[NH+]3CCC(C[NH+](C)C)CC3)c2C)cc1 ZINC000468408985 502049589 /nfs/dbraw/zinc/04/95/89/502049589.db2.gz QPRVFXBUMMECIO-UHFFFAOYSA-N 2 0 370.541 3.330 20 0 FGADRP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)N(C)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000475098629 502057179 /nfs/dbraw/zinc/05/71/79/502057179.db2.gz TZPNJRXJOSOZKB-ZVDOUQERSA-N 2 0 372.557 3.165 20 0 FGADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)N(C)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000475113239 502064021 /nfs/dbraw/zinc/06/40/21/502064021.db2.gz GBCLQSHWRBYMAO-LEWJYISDSA-N 2 0 372.557 3.167 20 0 FGADRP C[C@@H]([NH2+]C[C@H](C)CN1CC[NH+](C)CC1)c1ccc(-c2ccncc2)cc1 ZINC000482451266 502072643 /nfs/dbraw/zinc/07/26/43/502072643.db2.gz RTZVTQAVNBTCBU-RBUKOAKNSA-N 2 0 352.526 3.283 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@@H](C)c1cc2ccccc2o1 ZINC000482526074 502099874 /nfs/dbraw/zinc/09/98/74/502099874.db2.gz SMULXXFKAZXGSZ-PKOBYXMFSA-N 2 0 371.525 3.411 20 0 FGADRP C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000482529430 502101434 /nfs/dbraw/zinc/10/14/34/502101434.db2.gz GTAJCYPEDTTWEP-MRXNPFEDSA-N 2 0 357.464 3.254 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc(F)c(Cl)cc1F ZINC000486269940 502106205 /nfs/dbraw/zinc/10/62/05/502106205.db2.gz KQQSPHWUZHLXFQ-CYBMUJFWSA-N 2 0 373.875 3.106 20 0 FGADRP NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+][C@H](Cc2ccccc2)c2ccccc2)C1 ZINC000482561158 502111133 /nfs/dbraw/zinc/11/11/33/502111133.db2.gz YVYDBYKTMVUSAX-FGZHOGPDSA-N 2 0 365.521 3.147 20 0 FGADRP C[C@H](C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1)[NH+]1CCCCCC1 ZINC000461445745 502116469 /nfs/dbraw/zinc/11/64/69/502116469.db2.gz FQHPGMZJXSCTET-BAGYTPMASA-N 2 0 369.553 3.231 20 0 FGADRP CCCN(CCC[NH+](C)C)C(=O)N[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000468683547 502145523 /nfs/dbraw/zinc/14/55/23/502145523.db2.gz GOZDNJKOSRUARZ-UYAOXDASSA-N 2 0 360.546 3.023 20 0 FGADRP Cc1cc(N2CCC[N@@H+]([C@H](C)CO)CC2)c2cc(OC(F)F)ccc2[nH+]1 ZINC000468749171 502169322 /nfs/dbraw/zinc/16/93/22/502169322.db2.gz JCBYZIWAFWUEJP-CQSZACIVSA-N 2 0 365.424 3.038 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1coc2cc(F)ccc12 ZINC000475452007 502175870 /nfs/dbraw/zinc/17/58/70/502175870.db2.gz LZBVOBZEMMKZHL-MRXNPFEDSA-N 2 0 361.461 3.060 20 0 FGADRP [NH3+]C[C@H](C(=O)Nc1cccc(C[NH+]2CCSCC2)c1)c1ccc(F)cc1 ZINC000479182931 502185761 /nfs/dbraw/zinc/18/57/61/502185761.db2.gz FEWGPQFZCOEKLL-IBGZPJMESA-N 2 0 373.497 3.056 20 0 FGADRP CC[NH+](CC)Cc1ccccc1CNC(=O)[C@H](C[NH3+])c1ccc(F)cc1 ZINC000479221932 502197892 /nfs/dbraw/zinc/19/78/92/502197892.db2.gz LPBIKNRRFNPTGI-HXUWFJFHSA-N 2 0 357.473 3.026 20 0 FGADRP C[NH+](C)CCn1ccc2ccc(NC(=O)[C@H](C[NH3+])c3ccc(F)cc3)cc21 ZINC000479229903 502199202 /nfs/dbraw/zinc/19/92/02/502199202.db2.gz RUTCMYYGJYRWKN-LJQANCHMSA-N 2 0 368.456 3.023 20 0 FGADRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@H](C)c1cc(S(N)(=O)=O)c(C)cc1C ZINC000479367589 502235818 /nfs/dbraw/zinc/23/58/18/502235818.db2.gz WWFSIVBJAHANTQ-IAGOWNOFSA-N 2 0 369.575 3.112 20 0 FGADRP C[NH+]1CCN(CCC(C)(C)[NH2+]Cc2cccc(-c3ccncc3)c2)CC1 ZINC000472123836 502240429 /nfs/dbraw/zinc/24/04/29/502240429.db2.gz HORQXINDJNINBO-UHFFFAOYSA-N 2 0 352.526 3.254 20 0 FGADRP C[NH+](C)CCOCC[NH2+][C@@H]1CC(C)(C)c2ccc(Br)cc21 ZINC000479448980 502263576 /nfs/dbraw/zinc/26/35/76/502263576.db2.gz GIZASSSVWUJEPV-MRXNPFEDSA-N 2 0 355.320 3.339 20 0 FGADRP CC(C)COC[C@@H](O)C[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000475738349 502274389 /nfs/dbraw/zinc/27/43/89/502274389.db2.gz JIWUDLRABQMQMV-VXKWHMMOSA-N 2 0 360.542 3.008 20 0 FGADRP C[N@@H+]1CCN(CCC[NH2+]C/C=C\c2ccncc2)[C@@H](c2ccccc2)C1 ZINC000486930011 502307204 /nfs/dbraw/zinc/30/72/04/502307204.db2.gz QNLVLKCLCRBZAQ-YXSMGJEKSA-N 2 0 350.510 3.063 20 0 FGADRP C[C@@H]1C[C@@H](NC(=O)NCc2ccccc2C[N@H+]2CCCC[C@H]2C)CC[NH+]1C ZINC000465559808 502307867 /nfs/dbraw/zinc/30/78/67/502307867.db2.gz BNEDNFIJULNIOI-OPYAIIAOSA-N 2 0 372.557 3.343 20 0 FGADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)NCc2ccccc2C[NH+](CC)CC)C1 ZINC000465621204 502328451 /nfs/dbraw/zinc/32/84/51/502328451.db2.gz XXHDARMTYHCWON-IBGZPJMESA-N 2 0 374.573 3.402 20 0 FGADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@@H](C)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000487006378 502329474 /nfs/dbraw/zinc/32/94/74/502329474.db2.gz NFRMUWDOEQPCRT-SESVDKBCSA-N 2 0 372.557 3.071 20 0 FGADRP C[C@@H](C[NH+]1CCCCCC1)NC(=O)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000479807104 502383572 /nfs/dbraw/zinc/38/35/72/502383572.db2.gz UMERNTQNFMQCGM-KRWDZBQOSA-N 2 0 352.482 3.241 20 0 FGADRP CC[NH+](CC)CCN(Cc1cccs1)C(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000466038658 502461841 /nfs/dbraw/zinc/46/18/41/502461841.db2.gz KVUDQYVHOOWDSX-SJORKVTESA-N 2 0 366.575 3.084 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@@H]2CCC[NH+]2Cc2ccccc2)C[C@@H]1C ZINC000483806062 502497831 /nfs/dbraw/zinc/49/78/31/502497831.db2.gz JQMPGYTZSRTRLI-JBACZVJFSA-N 2 0 372.557 3.165 20 0 FGADRP C[C@@H](CNC(=O)NCCC[N@@H+]1CCCC[C@@H]1C)[NH+](C)Cc1ccccc1 ZINC000476480492 502501016 /nfs/dbraw/zinc/50/10/16/502501016.db2.gz ADOMJBQVDRRUBQ-OALUTQOASA-N 2 0 360.546 3.071 20 0 FGADRP C[C@H](CCNC(=O)N1CCC[C@H]([NH+]2CCCC2)C1)[N@H+](C)Cc1ccccc1 ZINC000473020075 502501979 /nfs/dbraw/zinc/50/19/79/502501979.db2.gz FDSFRDMRRPGLSM-CTNGQTDRSA-N 2 0 372.557 3.167 20 0 FGADRP CCC[N@H+](CC)CCNC(=O)N1CCC[NH+](Cc2ccccc2)C[C@H]1C ZINC000473177154 502536981 /nfs/dbraw/zinc/53/69/81/502536981.db2.gz SXTAEGMSNINJJQ-LJQANCHMSA-N 2 0 360.546 3.024 20 0 FGADRP O=C(N[C@H]1CC[N@@H+]2CCC[C@H]2C1)[C@@]12CCC[C@@H]1C[NH+](Cc1ccccc1)C2 ZINC000466330474 502539162 /nfs/dbraw/zinc/53/91/62/502539162.db2.gz HFMZMZWIFUVRLA-BESBDSHLSA-N 2 0 367.537 3.032 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N1CC[NH+](C2CCC2)C[C@@H](C)C1 ZINC000487826042 502540788 /nfs/dbraw/zinc/54/07/88/502540788.db2.gz WVVPHSPBSJQGHN-RTBURBONSA-N 2 0 364.578 3.157 20 0 FGADRP CNC(=O)CCC[NH2+][C@@H](CCC[NH+]1CCC(C)CC1)c1ccc(F)cc1 ZINC000462801774 502581287 /nfs/dbraw/zinc/58/12/87/502581287.db2.gz KFVUOVWYMJCJAC-FQEVSTJZSA-N 2 0 363.521 3.495 20 0 FGADRP Cn1nc2c(c1C[NH2+][C@@H]1CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]13)CCCC2 ZINC000462814717 502586117 /nfs/dbraw/zinc/58/61/17/502586117.db2.gz FYZHSFPACROZDM-HMXCVIKNSA-N 2 0 364.537 3.299 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H]2C[C@@H](C)[NH+](Cc3ccccc3)C2)C[C@@H]1C ZINC000466523776 502597122 /nfs/dbraw/zinc/59/71/22/502597122.db2.gz AYRCELGLBLXDLV-JYRKZWEQSA-N 2 0 372.557 3.164 20 0 FGADRP C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000476885276 502612990 /nfs/dbraw/zinc/61/29/90/502612990.db2.gz VJAPMRQODQAOPF-RXVVDRJESA-N 2 0 370.541 3.051 20 0 FGADRP C[C@@H](NC(=O)NCCC[NH+]1CCC(C)CC1)[C@H](c1ccccc1)[NH+](C)C ZINC000476900162 502615434 /nfs/dbraw/zinc/61/54/34/502615434.db2.gz FRYNLBLVVWLQJK-UYAOXDASSA-N 2 0 360.546 3.099 20 0 FGADRP Fc1cccc(-c2ccc(C[NH2+]CCCC[NH+]3CCOCC3)o2)c1F ZINC000480648417 502632444 /nfs/dbraw/zinc/63/24/44/502632444.db2.gz BQSLNCRCSAPBHT-UHFFFAOYSA-N 2 0 350.409 3.427 20 0 FGADRP C[C@H](C[NH2+][C@H](C)[C@H](c1ccccc1)N1CCOCC1)C[NH+]1CCCCC1 ZINC000480705241 502648657 /nfs/dbraw/zinc/64/86/57/502648657.db2.gz QJKJDZVQIBDNOG-KCZVDYSFSA-N 2 0 359.558 3.160 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC2(c3ccccc3)CCOCC2)[C@@H](C)C1 ZINC000480753836 502661979 /nfs/dbraw/zinc/66/19/79/502661979.db2.gz IWXMGZYSTAQFTE-UNMCSNQZSA-N 2 0 374.569 3.461 20 0 FGADRP COCC[N@H+](C)CCC[NH2+][C@H]1CCCC[C@@H]1c1ccc(OC)c(F)c1 ZINC000480771662 502666680 /nfs/dbraw/zinc/66/66/80/502666680.db2.gz OQPLXZHOUVFAQI-MJGOQNOKSA-N 2 0 352.494 3.418 20 0 FGADRP CC[NH+](CC)CC1CC[NH+](C[C@@H](O)COc2ccc(Cl)cc2)CC1 ZINC000488311647 502682207 /nfs/dbraw/zinc/68/22/07/502682207.db2.gz NJVQPUKCGOSXCN-GOSISDBHSA-N 2 0 354.922 3.134 20 0 FGADRP FC(F)CN1CCC([NH2+]CC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000463072800 502683702 /nfs/dbraw/zinc/68/37/02/502683702.db2.gz GHGCRRNYWAFFRA-UHFFFAOYSA-N 2 0 351.485 3.218 20 0 FGADRP C[NH+](C)CCOc1ccccc1N1CC[NH+]([C@H]2C[C@@H]2c2ccccc2)CC1 ZINC000463100539 502693921 /nfs/dbraw/zinc/69/39/21/502693921.db2.gz ZPIMSAHBZFCQDP-IRLDBZIGSA-N 2 0 365.521 3.305 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCC(=O)NC1CCCCC1 ZINC000480893243 502698753 /nfs/dbraw/zinc/69/87/53/502698753.db2.gz CMLJYHWGNUIQSM-NQIIRXRSSA-N 2 0 357.542 3.326 20 0 FGADRP C[C@@H](NC(=O)NCC[N@H+](C)Cc1ccccc1)[C@H](c1ccccc1)[NH+](C)C ZINC000484668298 502703028 /nfs/dbraw/zinc/70/30/28/502703028.db2.gz GHRADWNPXYQEDR-WIYYLYMNSA-N 2 0 368.525 3.109 20 0 FGADRP CC[NH+](CC)CC1CC[NH+]([C@@H](C)C(=O)NCCc2ccccc2C)CC1 ZINC000488403757 502704565 /nfs/dbraw/zinc/70/45/65/502704565.db2.gz DFPLKRXFNPROOC-IBGZPJMESA-N 2 0 359.558 3.096 20 0 FGADRP C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)NCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000484693545 502710244 /nfs/dbraw/zinc/71/02/44/502710244.db2.gz GNTYMIOKMFIJRZ-RDGPPVDQSA-N 2 0 364.578 3.011 20 0 FGADRP CC(C)[C@@H]1C[C@@H]([NH2+]CCCN2CC[N@H+](C)C[C@@H]2c2ccccc2)CS1 ZINC000488440124 502714779 /nfs/dbraw/zinc/71/47/79/502714779.db2.gz IXDLBXGNEUYMBR-NJYVYQBISA-N 2 0 361.599 3.485 20 0 FGADRP CC[NH+]1CCN(c2ccc(C[NH2+][C@H]3CS[C@H](C(C)(C)C)C3)cn2)CC1 ZINC000488454133 502718747 /nfs/dbraw/zinc/71/87/47/502718747.db2.gz IFZFXCVHPBRZNV-MSOLQXFVSA-N 2 0 362.587 3.233 20 0 FGADRP CC[C@@H](C)[N@H+](C)CCNC(=O)N[C@H]1[C@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000474013678 502779171 /nfs/dbraw/zinc/77/91/71/502779171.db2.gz VLAXVROLSPEAFE-HDAAZOAOSA-N 2 0 374.573 3.173 20 0 FGADRP CC(C)[NH+](CCCNC(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C)C(C)C ZINC000470468137 502787111 /nfs/dbraw/zinc/78/71/11/502787111.db2.gz XYASMLKXFVAXBN-LJQANCHMSA-N 2 0 366.525 3.237 20 0 FGADRP CC[NH+](CC)CC1CCN(C(=O)NCCC[NH+](C(C)C)C(C)C)CC1 ZINC000470499439 502796743 /nfs/dbraw/zinc/79/67/43/502796743.db2.gz WIWHCYXUXUHHAO-UHFFFAOYSA-N 2 0 354.583 3.259 20 0 FGADRP CC[N@@H+](CC(=O)NC[C@H](c1ccc(OC)cc1)[NH+]1CCCCC1)CC1CC1 ZINC000485010167 502800124 /nfs/dbraw/zinc/80/01/24/502800124.db2.gz RJMNBXYLNASPHX-OAQYLSRUSA-N 2 0 373.541 3.070 20 0 FGADRP CCN(Cc1cccs1)[C@H](C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000485040646 502808135 /nfs/dbraw/zinc/80/81/35/502808135.db2.gz COMOMCQPLAGHCW-MJGOQNOKSA-N 2 0 371.550 3.349 20 0 FGADRP COc1cccc([C@@H]2[C@H](N[C@H]3CC[NH+]4CCC[C@H]4C3)CC[N@@H+]2C2CC2)c1 ZINC000495407429 502835592 /nfs/dbraw/zinc/83/55/92/502835592.db2.gz IPSOXCJFLKZCQP-HVJHZFLKSA-N 2 0 355.526 3.189 20 0 FGADRP CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccc(C[NH+](CC)C2CC2)cc1 ZINC000489058966 502870916 /nfs/dbraw/zinc/87/09/16/502870916.db2.gz GQEMEGMTDHIZHA-FPOVZHCZSA-N 2 0 355.526 3.370 20 0 FGADRP c1ccc(N2CC[NH+](CCCN3CC[NH+](C4CCCCC4)CC3)CC2)cc1 ZINC000509401348 502892631 /nfs/dbraw/zinc/89/26/31/502892631.db2.gz RZYRWUGNANFNKT-UHFFFAOYSA-N 2 0 370.585 3.149 20 0 FGADRP CCO[C@@H]1C[C@@H]([N@H+](C)CCCN2CC[NH+](C(C)C)CC2)C1(CC)CC ZINC000501006846 502910456 /nfs/dbraw/zinc/91/04/56/502910456.db2.gz ITAKBEJFKPKUDI-WOJBJXKFSA-N 2 0 353.595 3.318 20 0 FGADRP COc1ccnc(N2CCN(Cc3ccc4c(c3)CC(C)(C)O4)CC2)c1 ZINC000513382477 502920311 /nfs/dbraw/zinc/92/03/11/502920311.db2.gz XTMQMASZDOGFCT-UHFFFAOYSA-N 2 0 353.466 3.126 20 0 FGADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)NC[C@H](C1CCCCC1)[NH+](C)C ZINC000501069427 502927451 /nfs/dbraw/zinc/92/74/51/502927451.db2.gz PJNCQKFATKEVCZ-RBUKOAKNSA-N 2 0 352.567 3.061 20 0 FGADRP CCc1ccc([C@H]2CCC[N@@H+](CC(=O)NC3CC[NH+](CC)CC3)C2)cc1 ZINC000513406413 502928798 /nfs/dbraw/zinc/92/87/98/502928798.db2.gz RGMQULKWTHBPHQ-FQEVSTJZSA-N 2 0 357.542 3.029 20 0 FGADRP COc1ccc2c(c1)CCC[C@H]2[N@H+](C)CCCN1CC[NH+](C(C)C)CC1 ZINC000501132304 502945957 /nfs/dbraw/zinc/94/59/57/502945957.db2.gz RMFPJXWEIQZAQW-JOCHJYFZSA-N 2 0 359.558 3.421 20 0 FGADRP C[N@@H+]1C[C@H](NC(=O)c2ccc(Nc3cc[nH+]cc3)cc2)[C@@H](c2ccccc2)C1 ZINC000497400852 502949929 /nfs/dbraw/zinc/94/99/29/502949929.db2.gz JTZLQWONDVPXKM-YADHBBJMSA-N 2 0 372.472 3.075 20 0 FGADRP CCC(CC)(CNC(=O)N1CC[NH+]2CCC1CC2)[NH2+][C@H](C)c1ccccc1 ZINC000497442359 502960479 /nfs/dbraw/zinc/96/04/79/502960479.db2.gz MVCPUKIUCFMRJD-GOSISDBHSA-N 2 0 372.557 3.386 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1csc2ccccc12 ZINC000505760634 502980206 /nfs/dbraw/zinc/98/02/06/502980206.db2.gz VIOMMDVTHXRVMP-INIZCTEOSA-N 2 0 359.539 3.389 20 0 FGADRP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)cc1 ZINC000513613913 502980728 /nfs/dbraw/zinc/98/07/28/502980728.db2.gz UXXYXFZUJVTATP-FCHUYYIVSA-N 2 0 365.521 3.356 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc2cc(C)ccc2o1 ZINC000505760264 502980761 /nfs/dbraw/zinc/98/07/61/502980761.db2.gz OHIFNCZQOKFPCT-GOSISDBHSA-N 2 0 357.498 3.229 20 0 FGADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C[C@H]1C ZINC000489604387 502995929 /nfs/dbraw/zinc/99/59/29/502995929.db2.gz XTOPQCROMAPFNT-HMXCVIKNSA-N 2 0 372.557 3.071 20 0 FGADRP C[NH+]1CCN(c2ncccc2C[NH2+][C@H]2CCC[C@H](c3cccnc3)C2)CC1 ZINC000501378244 502996684 /nfs/dbraw/zinc/99/66/84/502996684.db2.gz PDWPNWDBOBROJG-RXVVDRJESA-N 2 0 365.525 3.044 20 0 FGADRP C[N@@H+]1CC[C@H]([NH2+]CCOc2ccc(Br)cc2)[C@H]2CCC[C@H]21 ZINC000513690590 503001942 /nfs/dbraw/zinc/00/19/42/503001942.db2.gz KVSJRXCOWJONAZ-IXDOHACOSA-N 2 0 353.304 3.290 20 0 FGADRP C[C@H](CNC(=O)NCC1([NH+](C)C)CCCCCC1)[N@@H+]1CCCC[C@H]1C ZINC000501519033 503028078 /nfs/dbraw/zinc/02/80/78/503028078.db2.gz UHDPIHCZUFFNRR-QZTJIDSGSA-N 2 0 352.567 3.203 20 0 FGADRP COc1ccccc1CCC[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000506006499 503028158 /nfs/dbraw/zinc/02/81/58/503028158.db2.gz HJQRCRQDIAUFRX-UHFFFAOYSA-N 2 0 360.542 3.452 20 0 FGADRP C[C@H]1CCCC[C@H]1OCC[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000506030002 503032989 /nfs/dbraw/zinc/03/29/89/503032989.db2.gz DYBJRUWVEKGZGY-PZJWPPBQSA-N 2 0 352.563 3.406 20 0 FGADRP CN(C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000489794125 503036359 /nfs/dbraw/zinc/03/63/59/503036359.db2.gz SHIYNOGLIPLBBS-NJDAHSKKSA-N 2 0 372.557 3.165 20 0 FGADRP CC1CC[NH+](C[C@@H]2CCCN(C(=O)N[C@H]3CCC[C@@H]([NH+](C)C)C3)C2)CC1 ZINC000489798256 503037327 /nfs/dbraw/zinc/03/73/27/503037327.db2.gz PSTRILVLGBFLDP-SLFFLAALSA-N 2 0 364.578 3.013 20 0 FGADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000513916555 503047714 /nfs/dbraw/zinc/04/77/14/503047714.db2.gz JHPVSKURJJIJIO-QWFCFKBJSA-N 2 0 357.542 3.276 20 0 FGADRP C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000501742149 503070112 /nfs/dbraw/zinc/07/01/12/503070112.db2.gz MLBCWUCJKFKYJN-KRWDZBQOSA-N 2 0 367.484 3.120 20 0 FGADRP CC[NH+](CC)Cc1ccc(CNC(=O)N[C@H](C)C[NH+]2CCCCC2)cc1 ZINC000501786235 503079221 /nfs/dbraw/zinc/07/92/21/503079221.db2.gz UKYHNEPISCSWTO-GOSISDBHSA-N 2 0 360.546 3.202 20 0 FGADRP COCCOCCC[NH2+][C@@H]1CCCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000514100001 503088305 /nfs/dbraw/zinc/08/83/05/503088305.db2.gz SKBOSXXRPRDNAY-BHIFYINESA-N 2 0 360.542 3.320 20 0 FGADRP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NCCCC[NH+]1CCCC[C@@H]1C ZINC000514126813 503094672 /nfs/dbraw/zinc/09/46/72/503094672.db2.gz MIZNKWGOCKNJFL-WCIQWLHISA-N 2 0 366.594 3.307 20 0 FGADRP Cc1ccc([C@H](CNC(=O)NCCCC[N@H+]2CCC[C@H](C)C2)[NH+](C)C)cc1 ZINC000514133888 503095468 /nfs/dbraw/zinc/09/54/68/503095468.db2.gz DUTDSLFGRPKKTN-FPOVZHCZSA-N 2 0 374.573 3.409 20 0 FGADRP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)NCC[NH+](C)C1CCCCC1 ZINC000514145589 503098453 /nfs/dbraw/zinc/09/84/53/503098453.db2.gz OLPNOVNWIKLKAA-SFHVURJKSA-N 2 0 352.567 3.205 20 0 FGADRP C[C@H]1CC[N@H+](C)CCN1C(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000498170344 503124444 /nfs/dbraw/zinc/12/44/44/503124444.db2.gz CFRYWQWRMNCYKX-SFHVURJKSA-N 2 0 374.529 3.109 20 0 FGADRP CC[N@@H+]1C[C@H](C)N(C(=O)NC2CC[NH+](Cc3ccccc3C)CC2)C[C@@H]1C ZINC000498229278 503136838 /nfs/dbraw/zinc/13/68/38/503136838.db2.gz VRXWGLINKSZJOO-OALUTQOASA-N 2 0 372.557 3.084 20 0 FGADRP CC[NH+](CC)Cc1cccc(CNC(=O)N2C[C@@H](C)[N@H+](CC)C[C@@H]2C)c1 ZINC000498249937 503142386 /nfs/dbraw/zinc/14/23/86/503142386.db2.gz GOPNMQMSSVYKQN-MSOLQXFVSA-N 2 0 360.546 3.153 20 0 FGADRP CC[NH+](CC)Cc1ccccc1CNC(=O)N1C[C@H](C)[N@H+](CC)C[C@@H]1C ZINC000498259767 503145494 /nfs/dbraw/zinc/14/54/94/503145494.db2.gz OFGHLSBBNXDUED-ROUUACIJSA-N 2 0 360.546 3.153 20 0 FGADRP C[C@H](C[NH+]1CCCCCC1)NC(=O)N[C@@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC000502148794 503150318 /nfs/dbraw/zinc/15/03/18/503150318.db2.gz YCWHUTMIOJYENM-HBFSDRIKSA-N 2 0 360.546 3.242 20 0 FGADRP C[C@H](C[NH+]1CCCCCC1)NC(=O)N[C@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC000502148793 503150397 /nfs/dbraw/zinc/15/03/97/503150397.db2.gz YCWHUTMIOJYENM-GGPKGHCWSA-N 2 0 360.546 3.242 20 0 FGADRP [NH3+]C[C@H]1C[N@H+](Cc2ccccc2OCc2ccccc2)CC12CCOCC2 ZINC000582666089 506355294 /nfs/dbraw/zinc/35/52/94/506355294.db2.gz IWUVLWIAFZZKSI-NRFANRHFSA-N 2 0 366.505 3.453 20 0 FGADRP C[C@H]1C[C@H]([NH2+]C[C@@H](O)COCc2ccccc2)CCN1Cc1ccccc1 ZINC000514668551 503162964 /nfs/dbraw/zinc/16/29/64/503162964.db2.gz IMUKAZIZDWGVPD-WWPVKYPJSA-N 2 0 368.521 3.207 20 0 FGADRP Cc1cc(OCCC[C@H](C)[NH2+]C[C@H](C)N2CC[NH+](C)CC2)ccc1Cl ZINC000510654291 503165438 /nfs/dbraw/zinc/16/54/38/503165438.db2.gz WTYGHGRJXDGNKU-ROUUACIJSA-N 2 0 367.965 3.421 20 0 FGADRP CC[NH+]1CCC(CCNC(=O)N[C@@H](C)[C@@H](c2ccccc2C)[NH+](C)C)CC1 ZINC000498412667 503182195 /nfs/dbraw/zinc/18/21/95/503182195.db2.gz IDNNNQYDXBWFBH-RXVVDRJESA-N 2 0 374.573 3.407 20 0 FGADRP COc1c(O)cccc1C[NH+]1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000490569607 503197178 /nfs/dbraw/zinc/19/71/78/503197178.db2.gz OXGRDYRUNAVTQJ-CALCHBBNSA-N 2 0 362.514 3.112 20 0 FGADRP Cc1cc2[nH]c(C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)cc2c(C)c1 ZINC000502580598 503231318 /nfs/dbraw/zinc/23/13/18/503231318.db2.gz HJFSMEWCYVQXDA-UHFFFAOYSA-N 2 0 358.530 3.130 20 0 FGADRP CCc1ccc(CN2CCN(C(=O)CC[C@@H]3CCCC[N@@H+]3C)CC2)s1 ZINC000498650322 503232492 /nfs/dbraw/zinc/23/24/92/503232492.db2.gz YNUWHCNUSDGSAJ-KRWDZBQOSA-N 2 0 363.571 3.219 20 0 FGADRP Cc1cc2ncn(C[C@H](O)C[N@@H+]3CCC=C(c4ccco4)C3)c2cc1C ZINC000511108826 503256582 /nfs/dbraw/zinc/25/65/82/503256582.db2.gz QPFYLLQKMSSNOV-GOSISDBHSA-N 2 0 351.450 3.396 20 0 FGADRP Cc1ccc(NC(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)cc1C ZINC000498832110 503272399 /nfs/dbraw/zinc/27/23/99/503272399.db2.gz IYLOMYJPSQTKDD-UHFFFAOYSA-N 2 0 367.497 3.032 20 0 FGADRP Clc1ccc(CCCC[NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)cc1Cl ZINC000491140405 503279131 /nfs/dbraw/zinc/27/91/31/503279131.db2.gz UBNAAIKQUMJKOX-MRXNPFEDSA-N 2 0 356.341 3.296 20 0 FGADRP C[C@H]1CCC[N@H+](CCCCNC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000502842851 503286612 /nfs/dbraw/zinc/28/66/12/503286612.db2.gz MFYLJUIHONPKNY-ICSRJNTNSA-N 2 0 360.546 3.101 20 0 FGADRP C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)NCCC[NH2+]C2CCCCC2)C1 ZINC000502891028 503300403 /nfs/dbraw/zinc/30/04/03/503300403.db2.gz DJHFIYOWDSUXIE-OALUTQOASA-N 2 0 366.594 3.356 20 0 FGADRP C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)N3CC[NH+](C)CC[C@H]3C)cc2)C1 ZINC000502937583 503311414 /nfs/dbraw/zinc/31/14/14/503311414.db2.gz WBHKKVHQKZSBJM-RTBURBONSA-N 2 0 372.557 3.154 20 0 FGADRP CC[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12)[C@@H](O)C(F)(F)F ZINC000507510236 503311628 /nfs/dbraw/zinc/31/16/28/503311628.db2.gz MRMQYPRPESFUJT-DISONHOPSA-N 2 0 356.432 3.188 20 0 FGADRP CC[N@@H+]1C[C@H](C)N(C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)C[C@@H]1C ZINC000499088049 503330777 /nfs/dbraw/zinc/33/07/77/503330777.db2.gz CNMFPBJOPCSZNZ-YESZJQIVSA-N 2 0 364.559 3.009 20 0 FGADRP C[C@H](CNC(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1)C[NH+]1CCCC1 ZINC000503038351 503331466 /nfs/dbraw/zinc/33/14/66/503331466.db2.gz KMACFHGLWBKHNO-MSOLQXFVSA-N 2 0 360.546 3.147 20 0 FGADRP Cc1ccccc1[C@H]([C@H](C)NC(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1)[NH+](C)C ZINC000499093779 503332271 /nfs/dbraw/zinc/33/22/71/503332271.db2.gz MFNGLCRGLXBRIM-GNBUJSLZSA-N 2 0 360.546 3.158 20 0 FGADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)NCC(C)(C)[NH+]1CCC[C@@H](C)C1 ZINC000503058668 503338661 /nfs/dbraw/zinc/33/86/61/503338661.db2.gz LMHIYSOCKCELIZ-QZTJIDSGSA-N 2 0 352.567 3.061 20 0 FGADRP C[C@@H](CNC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)[NH+](C)C1CC1 ZINC000511562917 503344154 /nfs/dbraw/zinc/34/41/54/503344154.db2.gz XFXRSVABDWITCM-FXAWDEMLSA-N 2 0 372.557 3.069 20 0 FGADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N[C@@H]1CC[NH+]([C@@H](C)c2ccccc2)C1 ZINC000503093941 503344811 /nfs/dbraw/zinc/34/48/11/503344811.db2.gz ZSDJFZLYXKNKOR-CEWLAPEOSA-N 2 0 372.557 3.386 20 0 FGADRP Cc1ccccc1[C@@H]([C@H](C)NC(=O)NCC(C)(C)C[NH+]1CCCC1)[NH+](C)C ZINC000503091111 503345312 /nfs/dbraw/zinc/34/53/12/503345312.db2.gz FGESTYAHWQBIHW-AZUAARDMSA-N 2 0 374.573 3.407 20 0 FGADRP CC[C@H](c1cccc(OC)c1)[N@H+](C)CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000515475895 503346287 /nfs/dbraw/zinc/34/62/87/503346287.db2.gz GOMRBLDUQBQVSU-HXUWFJFHSA-N 2 0 361.530 3.067 20 0 FGADRP CC[C@H](C)[NH2+][C@H](CNC(=O)NCC(C)(C)C[NH+]1CCCC1)c1ccco1 ZINC000503109553 503348145 /nfs/dbraw/zinc/34/81/45/503348145.db2.gz JSKRRMXLOLLKEJ-DLBZAZTESA-N 2 0 364.534 3.130 20 0 FGADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000511677200 503368027 /nfs/dbraw/zinc/36/80/27/503368027.db2.gz HWARWAYOFKBGHD-DYESRHJHSA-N 2 0 351.494 3.314 20 0 FGADRP C[NH+](C)[C@H](CNC(=O)c1cccc(C[N@H+](C)Cc2ccccc2)c1)C1CC1 ZINC000511816807 503393315 /nfs/dbraw/zinc/39/33/15/503393315.db2.gz GZOCDZSNDOGFAZ-JOCHJYFZSA-N 2 0 365.521 3.389 20 0 FGADRP C[C@H](NC(=O)NC[C@@H]1[N@H+](C)CCCC1(C)C)[C@@H](c1ccccc1)[NH+](C)C ZINC000503385942 503398450 /nfs/dbraw/zinc/39/84/50/503398450.db2.gz KNMUSOPOFMRHSK-WDSOQIARSA-N 2 0 360.546 3.097 20 0 FGADRP CC(C)[NH+](CCN(C)C(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C)C(C)C ZINC000508032637 503416333 /nfs/dbraw/zinc/41/63/33/503416333.db2.gz LOCJJMUENIEOHQ-LJQANCHMSA-N 2 0 366.525 3.189 20 0 FGADRP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc(OC)c3oc(C(=O)OC)cc32)C1 ZINC000508141299 503440043 /nfs/dbraw/zinc/44/00/43/503440043.db2.gz MJOURAWJRNZKDA-CQSZACIVSA-N 2 0 360.454 3.050 20 0 FGADRP Cc1ccccc1[C@H]([C@@H](C)NC(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1)[NH+](C)C ZINC000493924142 503459823 /nfs/dbraw/zinc/45/98/23/503459823.db2.gz BFEXLBNCVSPKIJ-DYXWJJEUSA-N 2 0 374.573 3.406 20 0 FGADRP C[C@@H]([NH2+]C1(CNC(=O)N2CCC[C@H]([NH+](C)C)C2)CCCC1)c1ccccc1 ZINC000503699094 503462079 /nfs/dbraw/zinc/46/20/79/503462079.db2.gz KFIYGJCMMCJXGT-QUCCMNQESA-N 2 0 372.557 3.386 20 0 FGADRP COc1ccc(C[NH2+]CC2(SC)CC[NH+](C)CC2)cc1Br ZINC000516217494 503473791 /nfs/dbraw/zinc/47/37/91/503473791.db2.gz LFINTACDAGUTFX-UHFFFAOYSA-N 2 0 373.360 3.375 20 0 FGADRP COc1ccc([C@H](CNC(=O)[C@@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)[NH+]2CCCC2)cc1 ZINC000508375460 503484993 /nfs/dbraw/zinc/48/49/93/503484993.db2.gz GESADYADKYQMTJ-IIMDRIAPSA-N 2 0 373.541 3.210 20 0 FGADRP COc1ccc([C@H](CNC(=O)[C@H](C)[NH+]2[C@@H](C)CC[C@@H]2C)[NH+]2CCCC2)cc1 ZINC000508375462 503485239 /nfs/dbraw/zinc/48/52/39/503485239.db2.gz GESADYADKYQMTJ-NTLWEQJWSA-N 2 0 373.541 3.210 20 0 FGADRP C[C@@H]1CCC[C@](CNC(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)([NH+](C)C)C1 ZINC000516394664 503507285 /nfs/dbraw/zinc/50/72/85/503507285.db2.gz HUDYETDREPOTCP-UZKOGDIHSA-N 2 0 357.542 3.278 20 0 FGADRP O=C([C@@H]1CCCC[N@@H+]1Cc1ccccc1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000608013374 506376698 /nfs/dbraw/zinc/37/66/98/506376698.db2.gz ARTOXFFNMWLPAM-RTWAWAEBSA-N 2 0 355.526 3.128 20 0 FGADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)c1ccc2ccccc2c1 ZINC000500013907 503533406 /nfs/dbraw/zinc/53/34/06/503533406.db2.gz HJDZIZLBDYJIRU-UHFFFAOYSA-N 2 0 374.488 3.177 20 0 FGADRP CC(C)(C)c1ncc(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)s1 ZINC000512398742 503537112 /nfs/dbraw/zinc/53/71/12/503537112.db2.gz CUXGFQCQVAIYTM-UHFFFAOYSA-N 2 0 351.560 3.375 20 0 FGADRP Cc1ccc(CC[NH+]2CCN([C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000512474957 503564657 /nfs/dbraw/zinc/56/46/57/503564657.db2.gz OPLXEDAYDLRCJN-XMMPIXPASA-N 2 0 363.549 3.430 20 0 FGADRP Cc1ccccc1[C@@H]([C@@H](C)NC(=O)N(C)CC1([NH+](C)C)CCC1)[NH+](C)C ZINC000508842184 503574976 /nfs/dbraw/zinc/57/49/76/503574976.db2.gz BLCRKSJWDAHLIT-IEBWSBKVSA-N 2 0 360.546 3.112 20 0 FGADRP C[C@H](NC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1)[C@@H](c1ccccc1)[NH+](C)C ZINC000508850110 503577252 /nfs/dbraw/zinc/57/72/52/503577252.db2.gz DXPGHFDPLPFXDF-JBACZVJFSA-N 2 0 372.557 3.338 20 0 FGADRP CCC[NH+]1CCC(NC(=O)N2C[C@H](C)[N@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000500250543 503588984 /nfs/dbraw/zinc/58/89/84/503588984.db2.gz OQKHHPLSLNIGDX-RBUKOAKNSA-N 2 0 372.557 3.165 20 0 FGADRP Cc1ccccc1[C@H]([C@H](C)NC(=O)N1CCC[C@H]1C[NH+]1CCCC1)[NH+](C)C ZINC000508899186 503593899 /nfs/dbraw/zinc/59/38/99/503593899.db2.gz OAMCJBNROYZAHY-ZJOUEHCJSA-N 2 0 372.557 3.256 20 0 FGADRP CC(C[NH+]1CCC[C@@H](OCC2CC2)C1)C[N@@H+]1CCC[C@@H](OCC2CC2)C1 ZINC000494704627 503597289 /nfs/dbraw/zinc/59/72/89/503597289.db2.gz SVJFEACUVHXWEO-FGZHOGPDSA-N 2 0 364.574 3.405 20 0 FGADRP C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000512642488 503601341 /nfs/dbraw/zinc/60/13/41/503601341.db2.gz QDXYFIFXHXBJQO-AQERJUQKSA-N 2 0 353.554 3.359 20 0 FGADRP CN(CC[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21)CC(F)(F)F ZINC000512653205 503604201 /nfs/dbraw/zinc/60/42/01/503604201.db2.gz DEORUCWNVZYMNV-GUDVDZBRSA-N 2 0 369.475 3.371 20 0 FGADRP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2ccc3c(c2)NC(=O)CO3)CC1 ZINC000508961424 503608791 /nfs/dbraw/zinc/60/87/91/503608791.db2.gz BPSPFRSXJTZBLB-KRWDZBQOSA-N 2 0 371.525 3.494 20 0 FGADRP C[C@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)c1ccc(C[NH+](C)C)cc1 ZINC000500440569 503625121 /nfs/dbraw/zinc/62/51/21/503625121.db2.gz WJKLBYUXNRRGAE-OALUTQOASA-N 2 0 365.521 3.483 20 0 FGADRP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)NCc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000516959360 503631261 /nfs/dbraw/zinc/63/12/61/503631261.db2.gz LJTYAIKPIXTFOB-DYESRHJHSA-N 2 0 372.557 3.248 20 0 FGADRP C[N@@H+]1CCN(CCC[NH2+]Cc2cc(F)ccc2F)[C@H](c2ccccc2)C1 ZINC000512819884 503639584 /nfs/dbraw/zinc/63/95/84/503639584.db2.gz FHLRIUOEVZFHMM-NRFANRHFSA-N 2 0 359.464 3.433 20 0 FGADRP CC[NH+]1CCC(C[NH2+]C[C@H](O)CO[C@H](C)c2ccc(Cl)cc2)CC1 ZINC000517025412 503647021 /nfs/dbraw/zinc/64/70/21/503647021.db2.gz RFYCULDSNPXWIK-BEFAXECRSA-N 2 0 354.922 3.100 20 0 FGADRP COc1ccc([C@H](CNC(=O)C[NH2+][C@H]2CCC2(C)C)[NH+]2CCCCC2)cc1 ZINC000517172511 503662025 /nfs/dbraw/zinc/66/20/25/503662025.db2.gz XQJIBSYGBTXLBO-PMACEKPBSA-N 2 0 373.541 3.117 20 0 FGADRP CC[NH+]1CCN([C@@H](C)C[NH2+]C[C@@H](C)c2ccc(C(F)(F)F)cc2)CC1 ZINC000517202629 503671606 /nfs/dbraw/zinc/67/16/06/503671606.db2.gz PFGLSMBLZPWUPZ-CVEARBPZSA-N 2 0 357.464 3.425 20 0 FGADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC000495122868 503675128 /nfs/dbraw/zinc/67/51/28/503675128.db2.gz TVWFJJOFKDFMLT-AZUAARDMSA-N 2 0 357.542 3.450 20 0 FGADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]C[C@@H](c1ccco1)N1CCCCC1 ZINC000543244023 503696367 /nfs/dbraw/zinc/69/63/67/503696367.db2.gz CWMGDVWQOQXPGP-FQEVSTJZSA-N 2 0 365.481 3.486 20 0 FGADRP C[C@H](CCNC(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+])[N@H+](C)Cc1ccccc1 ZINC000517366679 503727178 /nfs/dbraw/zinc/72/71/78/503727178.db2.gz NZWCKCYGJSSPBE-MYAZKZQCSA-N 2 0 357.542 3.167 20 0 FGADRP C[C@H](CCNC(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1)[NH+]1CCCCC1 ZINC000543351633 503735087 /nfs/dbraw/zinc/73/50/87/503735087.db2.gz MAVNLUGOYFTRHM-HSALFYBXSA-N 2 0 366.594 3.308 20 0 FGADRP C[C@@H](CCNC(=O)c1ccc(Nc2cc[nH+]cc2)cc1)[NH+]1CCCCC1 ZINC000543383487 503747344 /nfs/dbraw/zinc/74/73/44/503747344.db2.gz DGZXOLQRVXIUDI-KRWDZBQOSA-N 2 0 352.482 3.241 20 0 FGADRP Cc1cc([C@H]([NH2+]CCCC[NH+]2CCN(C)CC2)c2cccnc2)ccc1F ZINC000543405294 503758047 /nfs/dbraw/zinc/75/80/47/503758047.db2.gz WIALRBMCUGYLFY-QFIPXVFZSA-N 2 0 370.516 3.236 20 0 FGADRP C[C@H]1CCC[C@](CNC(=O)NCCC[NH2+]C2CCCCC2)([NH+](C)C)C1 ZINC000517510665 503759364 /nfs/dbraw/zinc/75/93/64/503759364.db2.gz BFAPBTWRGYLDKC-PXNSSMCTSA-N 2 0 352.567 3.109 20 0 FGADRP CC[NH+](CC)CC1CCN(C(=O)NC[C@@]2([NH+](C)C)CCC[C@H](C)C2)CC1 ZINC000517510773 503760987 /nfs/dbraw/zinc/76/09/87/503760987.db2.gz FOOMNOHAESQBGJ-GHTZIAJQSA-N 2 0 366.594 3.260 20 0 FGADRP CCN(CC[NH+]1CCCCCC1)C(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000517603219 503783355 /nfs/dbraw/zinc/78/33/55/503783355.db2.gz UXWMTBPMGPUSBB-QGZVFWFLSA-N 2 0 366.575 3.258 20 0 FGADRP O=C(NC[C@H]1CC[NH+]1C1CCCC1)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000530023201 503795686 /nfs/dbraw/zinc/79/56/86/503795686.db2.gz CRYWQYUSHJGCMN-WIYYLYMNSA-N 2 0 373.516 3.171 20 0 FGADRP CC(C)[C@@H]([NH2+]CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)c1ccccc1 ZINC000546592092 503800040 /nfs/dbraw/zinc/80/00/40/503800040.db2.gz OMVZOBAIRZLXDH-IFMALSPDSA-N 2 0 353.510 3.392 20 0 FGADRP C[C@H]1C[C@@H](C(=O)N[C@H](C[NH+](C)C)c2ccc(Cl)c(Cl)c2)CC[N@@H+]1C ZINC000530032464 503805323 /nfs/dbraw/zinc/80/53/23/503805323.db2.gz ICGYYVKJVQUFIT-RVSPLBMKSA-N 2 0 372.340 3.443 20 0 FGADRP CCC(CC)[C@@H](CNC(=O)N(C)[C@H](C)C1CC[NH+](C)CC1)[NH+]1CCCC1 ZINC000543645188 503839191 /nfs/dbraw/zinc/83/91/91/503839191.db2.gz ZINWNQJSCNBUFC-YLJYHZDGSA-N 2 0 366.594 3.259 20 0 FGADRP Cn1cc(-c2nc(C[NH2+][C@@H]3CCc4nc(C(C)(C)C)cn4C3)cs2)cn1 ZINC000527648792 503875613 /nfs/dbraw/zinc/87/56/13/503875613.db2.gz IHEFLYQIXQOIRZ-CQSZACIVSA-N 2 0 370.526 3.142 20 0 FGADRP COc1cccc([C@H]2C[N@H+](C[C@H](O)[C@@H]([NH3+])Cc3ccccc3)CC2(C)C)c1 ZINC000530231712 503885066 /nfs/dbraw/zinc/88/50/66/503885066.db2.gz SUDYMVRAUKJDLD-FSSWDIPSSA-N 2 0 368.521 3.052 20 0 FGADRP C[C@@H]1C[NH+](CCOc2ccc(CC[NH2+]CC3=CCCOC3)cc2)C[C@H]1C ZINC000537351496 503886370 /nfs/dbraw/zinc/88/63/70/503886370.db2.gz JBOOKACWQFNKMQ-RTBURBONSA-N 2 0 358.526 3.132 20 0 FGADRP COc1ccc2ccccc2c1C[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530248384 503893761 /nfs/dbraw/zinc/89/37/61/503893761.db2.gz KOYMLEZOGVFASA-IBGZPJMESA-N 2 0 354.494 3.439 20 0 FGADRP COc1ccc2cc(C[NH+]3CCC(CO[C@@H]4CC[NH2+]C4)CC3)ccc2c1 ZINC000530248535 503893948 /nfs/dbraw/zinc/89/39/48/503893948.db2.gz LVAPSBUBYHNTHC-JOCHJYFZSA-N 2 0 354.494 3.439 20 0 FGADRP O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000518094716 503907743 /nfs/dbraw/zinc/90/77/43/503907743.db2.gz UQRZKPKPKHYAPS-SFTDATJTSA-N 2 0 370.541 3.093 20 0 FGADRP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)[C@]12CCCO2 ZINC000546870288 503909735 /nfs/dbraw/zinc/90/97/35/503909735.db2.gz FGYGTLRJLRUQMZ-PYYGYTMVSA-N 2 0 370.537 3.213 20 0 FGADRP CN(CCC(=O)Nc1cccc(CC[N@H+](C)C2CC2)c1)c1cc[nH+]cc1 ZINC000540925684 503940818 /nfs/dbraw/zinc/94/08/18/503940818.db2.gz LNDNYQSHZYDSNK-UHFFFAOYSA-N 2 0 352.482 3.183 20 0 FGADRP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](CCCc2ccsc2)CC1 ZINC000543959094 503950815 /nfs/dbraw/zinc/95/08/15/503950815.db2.gz FIDZIVJTNCSURV-UHFFFAOYSA-N 2 0 365.587 3.097 20 0 FGADRP CC[N@H+](C)[C@H](C(=O)N1CCN(Cc2ccsc2)CC1)c1ccccc1 ZINC000533811188 503958749 /nfs/dbraw/zinc/95/87/49/503958749.db2.gz MIPQNOHWZJJDFQ-IBGZPJMESA-N 2 0 357.523 3.085 20 0 FGADRP COc1cc(C)nc(C[NH+]2CCC(CC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)c1 ZINC000533835964 503965570 /nfs/dbraw/zinc/96/55/70/503965570.db2.gz YGXRUWOVYSRGMT-ROUUACIJSA-N 2 0 361.530 3.110 20 0 FGADRP CCC[NH+]1CCC(NC(=O)[C@H](C)[NH+]2CCC(Cc3ccccc3)CC2)CC1 ZINC000518443305 503986949 /nfs/dbraw/zinc/98/69/49/503986949.db2.gz IFZJTJODNZCGPJ-IBGZPJMESA-N 2 0 371.569 3.320 20 0 FGADRP CCOc1cccc(C[NH+]2CCC(CC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)n1 ZINC000537658913 503993888 /nfs/dbraw/zinc/99/38/88/503993888.db2.gz CNBOKXLBPORYFQ-QZTJIDSGSA-N 2 0 361.530 3.192 20 0 FGADRP C[C@H]([NH2+]C[C@H](n1cccn1)C(F)(F)F)c1ccc(OCC[NH+](C)C)cc1 ZINC000527939673 504007835 /nfs/dbraw/zinc/00/78/35/504007835.db2.gz PWTAISWGAWISON-YOEHRIQHSA-N 2 0 370.419 3.278 20 0 FGADRP Cc1ccc([C@H](CNC(=O)NCC[NH+]2[C@H](C)CCC[C@H]2C)[NH+](C)C)cc1 ZINC000518594343 504023437 /nfs/dbraw/zinc/02/34/37/504023437.db2.gz YQGPWHUJPVVLLC-GGPKGHCWSA-N 2 0 360.546 3.160 20 0 FGADRP C[N@H+](CCCNC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1)Cc1ccccc1 ZINC000518626358 504030690 /nfs/dbraw/zinc/03/06/90/504030690.db2.gz SRTDLWRXSGDHTE-OAQYLSRUSA-N 2 0 372.557 3.168 20 0 FGADRP Cc1ccc([C@@H](CCn2cncn2)[NH2+]C[C@H]2CCN2C2CCCC2)cc1 ZINC000528001759 504034565 /nfs/dbraw/zinc/03/45/65/504034565.db2.gz NAOULOGZYXKAAD-NHCUHLMSSA-N 2 0 353.514 3.324 20 0 FGADRP C[NH+](C)CCOc1ccc(CC[NH2+][C@H]2CCC(=O)Nc3ccccc32)cc1 ZINC000544358462 504102777 /nfs/dbraw/zinc/10/27/77/504102777.db2.gz IZWXTRRHMMXYHR-FQEVSTJZSA-N 2 0 367.493 3.233 20 0 FGADRP C[C@@H]1CCCC[C@H]1C[NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000544370497 504105947 /nfs/dbraw/zinc/10/59/47/504105947.db2.gz FVHVDRAEOOPVHT-NQIIRXRSSA-N 2 0 357.542 3.428 20 0 FGADRP CCCCOCC[NH2+][C@@H](C)c1cc(F)ccc1N1CC[NH+](CC)CC1 ZINC000538212099 504163543 /nfs/dbraw/zinc/16/35/43/504163543.db2.gz BKIBQZZJENHREJ-KRWDZBQOSA-N 2 0 351.510 3.435 20 0 FGADRP CC[N@@H+]1CCC[C@@H](CNC(=O)[C@H](C)[NH+]2CCC(Cc3ccccc3)CC2)C1 ZINC000544555688 504172494 /nfs/dbraw/zinc/17/24/94/504172494.db2.gz JQWZYZFIDOAEHR-UGKGYDQZSA-N 2 0 371.569 3.178 20 0 FGADRP CC[NH+]1CCN(CCC[NH2+][C@H](c2cccnc2)c2ccc(F)c(C)c2)CC1 ZINC000541552518 504174287 /nfs/dbraw/zinc/17/42/87/504174287.db2.gz KAPANFGTILWFJD-QFIPXVFZSA-N 2 0 370.516 3.236 20 0 FGADRP CCC(C)(C)[NH2+][C@H](C)C(=O)NC1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000541560935 504176836 /nfs/dbraw/zinc/17/68/36/504176836.db2.gz WNLXZYONASWCOH-OKZBNKHCSA-N 2 0 359.558 3.426 20 0 FGADRP C[C@H](CN1CCCCC1)[NH2+][C@@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21 ZINC000538261447 504180296 /nfs/dbraw/zinc/18/02/96/504180296.db2.gz UQLHPLXKJRYFST-UYAOXDASSA-N 2 0 357.542 3.439 20 0 FGADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)NC[C@H](c1ccc(OC)cc1)[NH+]1CCCC1 ZINC000541582431 504186026 /nfs/dbraw/zinc/18/60/26/504186026.db2.gz XCAATJQIOXLBCC-QFBILLFUSA-N 2 0 361.530 3.115 20 0 FGADRP Cc1ccc(-c2noc(CCC[NH+]3CCC(C[NH+](C)C)CC3)n2)cc1F ZINC000531103838 504190479 /nfs/dbraw/zinc/19/04/79/504190479.db2.gz GJVDEUJCYNNGTM-UHFFFAOYSA-N 2 0 360.477 3.390 20 0 FGADRP Cc1ccc(Cl)c(OC[C@@H](O)C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)c1 ZINC000541591209 504191145 /nfs/dbraw/zinc/19/11/45/504191145.db2.gz UWRVUIQVDDZFNC-SFHVURJKSA-N 2 0 368.949 3.440 20 0 FGADRP CC(C)(C)[C@H]1CC[N@H+](CCCC[NH+]2CC[C@@H](C(C)(C)C)[C@H](O)C2)C[C@@H]1O ZINC000541618150 504202539 /nfs/dbraw/zinc/20/25/39/504202539.db2.gz LBLAHZOBHIZDRE-FGYAAKKASA-N 2 0 368.606 3.224 20 0 FGADRP Cc1ccc(OCCC[NH+]2CCC(C)(C[NH+]3CCN(C)CC3)CC2)cc1C ZINC000541662051 504213801 /nfs/dbraw/zinc/21/38/01/504213801.db2.gz HUZXTCFSXXLGCM-UHFFFAOYSA-N 2 0 373.585 3.422 20 0 FGADRP CC[NH+](CC)CC1CCN(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)CC1 ZINC000534721169 504223898 /nfs/dbraw/zinc/22/38/98/504223898.db2.gz KRGBQOZHLIZBFS-RTWAWAEBSA-N 2 0 372.557 3.195 20 0 FGADRP CC[C@H](C(=O)NCC1([N@@H+]2CCOC(C)(C)C2)CCCCC1)[NH+](CC)CC ZINC000531293173 504253521 /nfs/dbraw/zinc/25/35/21/504253521.db2.gz AIKVTZIQRLSPHS-GOSISDBHSA-N 2 0 367.578 3.037 20 0 FGADRP O=C([C@@H]1CCCC[N@@H+]1Cc1ccccc1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000531292720 504254494 /nfs/dbraw/zinc/25/44/94/504254494.db2.gz DIWOOGMLVGKFQF-SFTDATJTSA-N 2 0 355.526 3.128 20 0 FGADRP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000541813183 504262334 /nfs/dbraw/zinc/26/23/34/504262334.db2.gz RTMILKMVBXWXRJ-KRWDZBQOSA-N 2 0 364.578 3.155 20 0 FGADRP COC(=O)c1cc2c(o1)c(OC)ccc2C[NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000531391890 504290474 /nfs/dbraw/zinc/29/04/74/504290474.db2.gz ZBBZXNIPAJUSEI-CABCVRRESA-N 2 0 360.454 3.190 20 0 FGADRP C[N@@H+]1CCN(CCC[NH+]2CCN(c3ccccc3)CC2)CC12CCCCC2 ZINC000519709580 504311625 /nfs/dbraw/zinc/31/16/25/504311625.db2.gz QGUNEELTLWHAFT-UHFFFAOYSA-N 2 0 370.585 3.149 20 0 FGADRP C[C@@H](CNC(=O)CC[N@H+](C)C1CCCCC1)[NH+]1CCc2ccccc2C1 ZINC000548061597 504315658 /nfs/dbraw/zinc/31/56/58/504315658.db2.gz VGNARNSWVLNKFE-SFHVURJKSA-N 2 0 357.542 3.204 20 0 FGADRP C[C@H]([NH2+]C[C@@H](O)CCc1ccccc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000548158937 504352317 /nfs/dbraw/zinc/35/23/17/504352317.db2.gz LWUCJPHSPKVJNI-PMOQBDJRSA-N 2 0 352.522 3.480 20 0 FGADRP CC1(C)[C@@H](c2ccc(F)cc2)CC[N@@H+]1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000528740619 504360364 /nfs/dbraw/zinc/36/03/64/504360364.db2.gz BYSQSCUTEOFSLW-HXUWFJFHSA-N 2 0 373.516 3.137 20 0 FGADRP CC[NH+](CC)CCC[NH2+][C@H](C)CC(=O)Nc1cccc(Br)c1 ZINC000531680477 504391201 /nfs/dbraw/zinc/39/12/01/504391201.db2.gz AMOYMCGQXCDKRE-CQSZACIVSA-N 2 0 370.335 3.488 20 0 FGADRP CC[NH+]1CCN(Cc2ccccc2C[NH2+][C@H]2CC(C)(C)OC2(C)C)CC1 ZINC000531683193 504392104 /nfs/dbraw/zinc/39/21/04/504392104.db2.gz WANKWGBWJUCROO-FQEVSTJZSA-N 2 0 359.558 3.260 20 0 FGADRP C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)N[C@@H]2CCn3ccnc3C2)c1 ZINC000548310510 504394620 /nfs/dbraw/zinc/39/46/20/504394620.db2.gz YOHIRCIHHCDSSU-OAQYLSRUSA-N 2 0 374.488 3.260 20 0 FGADRP O=C(Nc1cnccc1-n1cccn1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000520315623 504464134 /nfs/dbraw/zinc/46/41/34/504464134.db2.gz BVTYBUCRCKCDDR-GOSISDBHSA-N 2 0 361.449 3.118 20 0 FGADRP CC[N@H+](CCC1CC[NH+](CC(=O)N(C)Cc2ccco2)CC1)CC(C)C ZINC000539098388 504471832 /nfs/dbraw/zinc/47/18/32/504471832.db2.gz CVUWOMVTNKDMEK-UHFFFAOYSA-N 2 0 363.546 3.318 20 0 FGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCn2c(C)nc3ccccc32)[C@@H](C)C1 ZINC000531944282 504482625 /nfs/dbraw/zinc/48/26/25/504482625.db2.gz WBGRLVZPKLEXFG-PKOBYXMFSA-N 2 0 358.530 3.071 20 0 FGADRP COc1ccc2c(c1)[C@H]([NH2+][C@H](CN1CC[NH+](C)CC1)c1ccccc1)CC2 ZINC000531965834 504488909 /nfs/dbraw/zinc/48/89/09/504488909.db2.gz HOIQPEYBOVGOHG-DHIUTWEWSA-N 2 0 365.521 3.261 20 0 FGADRP O=C1CC[C@H]([NH2+]Cc2ccc(CN3CCOCC3)cc2)c2ccccc2N1 ZINC000542478119 504506618 /nfs/dbraw/zinc/50/66/18/504506618.db2.gz MWXQVFIKPVACRC-FQEVSTJZSA-N 2 0 365.477 3.082 20 0 FGADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H](O)COc2cc(C)ccc2Cl)C[C@@H]1C ZINC000542506817 504517526 /nfs/dbraw/zinc/51/75/26/504517526.db2.gz RMUPPRIVHYVSBX-ULQDDVLXSA-N 2 0 354.922 3.193 20 0 FGADRP CC[C@@H]([NH2+]CCc1ccc(OCC[NH+]2CCCC2)cc1)C1CCOCC1 ZINC000539297862 504522910 /nfs/dbraw/zinc/52/29/10/504522910.db2.gz NSBOFTGYIDFGCU-JOCHJYFZSA-N 2 0 360.542 3.499 20 0 FGADRP CC[C@H]([NH2+]C1CC[NH+](CC2CC2)CC1)[C@H](c1ccc(C)cc1)n1cncn1 ZINC000539298262 504522916 /nfs/dbraw/zinc/52/29/16/504522916.db2.gz YZGPGHHWDCRFFU-VXKWHMMOSA-N 2 0 367.541 3.419 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)NCC[N@H+](C)C1CCCC1)c1ccsc1 ZINC000520554637 504526937 /nfs/dbraw/zinc/52/69/37/504526937.db2.gz IUJDTDHEPFQIFC-SFHVURJKSA-N 2 0 366.575 3.305 20 0 FGADRP C[C@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)c1ccc(Cl)c(F)c1 ZINC000535778270 504541235 /nfs/dbraw/zinc/54/12/35/504541235.db2.gz VIEKZDHBMRGKJH-AWEZNQCLSA-N 2 0 362.880 3.477 20 0 FGADRP COc1ccc([C@@H]2CCCCCN2C(=O)C[NH+]2CCC(CC[NH3+])CC2)cc1 ZINC000520824507 504590382 /nfs/dbraw/zinc/59/03/82/504590382.db2.gz XCRXIUJNQGVOTA-NRFANRHFSA-N 2 0 373.541 3.200 20 0 FGADRP COC(=O)c1occc1C[NH2+]CC[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000539528805 504599882 /nfs/dbraw/zinc/59/98/82/504599882.db2.gz RHGUQWBLNGANOE-WMZOPIPTSA-N 2 0 356.466 3.457 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)N(C)CCC[NH+]1CCCC1)c1ccccc1 ZINC000539602725 504622376 /nfs/dbraw/zinc/62/23/76/504622376.db2.gz PSGJAMXDUBUWEK-FQEVSTJZSA-N 2 0 360.546 3.197 20 0 FGADRP C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000521001672 504626843 /nfs/dbraw/zinc/62/68/43/504626843.db2.gz IFPRFIHQLZRTNN-OALUTQOASA-N 2 0 357.542 3.135 20 0 FGADRP COc1ccc(Cl)cc1[C@@H](C)[NH2+][C@@H](CC(C)C)C(=O)NCC[NH+](C)C ZINC000539645898 504638094 /nfs/dbraw/zinc/63/80/94/504638094.db2.gz VXTCVLRIOROGBW-PBHICJAKSA-N 2 0 369.937 3.092 20 0 FGADRP C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000532447051 504654608 /nfs/dbraw/zinc/65/46/08/504654608.db2.gz MTLTYWXETAGPGI-MNEFBYGVSA-N 2 0 363.933 3.293 20 0 FGADRP COc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]CCN1CCC[C@H](C)C1 ZINC000532459425 504658888 /nfs/dbraw/zinc/65/88/88/504658888.db2.gz QMCHSFZYWPGTIN-LSDHHAIUSA-N 2 0 367.921 3.387 20 0 FGADRP C[C@H]([NH2+]Cc1ccccc1OCC[NH+](C)C)c1ccc2c(c1)CCC(=O)N2 ZINC000532464886 504659819 /nfs/dbraw/zinc/65/98/19/504659819.db2.gz BTFMOJDFPANYBM-INIZCTEOSA-N 2 0 367.493 3.363 20 0 FGADRP C[C@H]([NH2+]CCn1cnc2ccccc21)c1ccc(OCC[NH+](C)C)cc1 ZINC000532476494 504663383 /nfs/dbraw/zinc/66/33/83/504663383.db2.gz GYHGTTPSPPKKJK-KRWDZBQOSA-N 2 0 352.482 3.328 20 0 FGADRP CCC[NH+]1CCN(c2ccccc2C[N@@H+]2CC[C@H]([C@H]3CCOC3)C2)CC1 ZINC000539852509 504717772 /nfs/dbraw/zinc/71/77/72/504717772.db2.gz TVPVKAYHTHSVPZ-FPOVZHCZSA-N 2 0 357.542 3.077 20 0 FGADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2c[nH]nc2-c2ccccc2F)C1 ZINC000539851602 504718421 /nfs/dbraw/zinc/71/84/21/504718421.db2.gz VNBUZSJATWWNMS-QGZVFWFLSA-N 2 0 360.477 3.149 20 0 FGADRP CC(C)[NH+]1CCC(N2CC[NH+](Cc3ccnc4ccccc34)CC2)CC1 ZINC000539862067 504721063 /nfs/dbraw/zinc/72/10/63/504721063.db2.gz CSUUJOAWGVHEAH-UHFFFAOYSA-N 2 0 352.526 3.225 20 0 FGADRP Cc1ccc(-c2nc(C[NH+]3CCC([C@H]4C[C@H]([NH3+])CCO4)CC3)co2)cc1 ZINC000521406466 504727381 /nfs/dbraw/zinc/72/73/81/504727381.db2.gz FRURQDGTNXJITL-UYAOXDASSA-N 2 0 355.482 3.368 20 0 FGADRP C[NH+](C)[C@H]1CCC[C@@H](NC(=O)NC(C)(C)C[N@H+](C)Cc2ccccc2)C1 ZINC000532838155 504765035 /nfs/dbraw/zinc/76/50/35/504765035.db2.gz DCPYAQFBAGCDLW-MOPGFXCFSA-N 2 0 360.546 3.069 20 0 FGADRP Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)C[C@@H]1CCCC[C@@H]1[NH3+] ZINC000521619967 504765276 /nfs/dbraw/zinc/76/52/76/504765276.db2.gz CXHAENLYNXNMHI-ROUUACIJSA-N 2 0 361.555 3.390 20 0 FGADRP Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)C[C@H]1CCCC[C@H]1[NH3+] ZINC000521619965 504765457 /nfs/dbraw/zinc/76/54/57/504765457.db2.gz CXHAENLYNXNMHI-QZTJIDSGSA-N 2 0 361.555 3.390 20 0 FGADRP CC[N@H+](CCC1CCN(C(=O)N[C@@H]2CC[NH+](C)[C@H](C)C2)CC1)CC1CC1 ZINC000536584627 504765901 /nfs/dbraw/zinc/76/59/01/504765901.db2.gz VYZVCDWBWIYLKT-YLJYHZDGSA-N 2 0 364.578 3.013 20 0 FGADRP CC(C)[C@@H](C[NH2+]Cc1cc(C(N)=O)cs1)N1CCc2ccccc2C1 ZINC000532870591 504769872 /nfs/dbraw/zinc/76/98/72/504769872.db2.gz FIMFYBMBWBPKTM-LJQANCHMSA-N 2 0 357.523 3.020 20 0 FGADRP C[NH+]1CCC2(CC1)C[C@@H]([NH2+]C[C@H](CO)Cc1ccco1)c1ccccc1O2 ZINC000559116549 504785536 /nfs/dbraw/zinc/78/55/36/504785536.db2.gz WQAKKSHCFKTKKY-YLJYHZDGSA-N 2 0 370.493 3.008 20 0 FGADRP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1ccc(F)c2ccccc21 ZINC000556076799 504791045 /nfs/dbraw/zinc/79/10/45/504791045.db2.gz RKVKDQYKUCENBD-HOTGVXAUSA-N 2 0 357.473 3.217 20 0 FGADRP COCC[N@H+](C)CCCC1CC[NH+]([C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000556124033 504801178 /nfs/dbraw/zinc/80/11/78/504801178.db2.gz WQZWFPGQXFXXOE-HSZRJFAPSA-N 2 0 373.585 3.331 20 0 FGADRP Cc1ccc(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)c(-c2cnn(C)c2)c1 ZINC000549404606 504812167 /nfs/dbraw/zinc/81/21/67/504812167.db2.gz SHYLCWUJSWEVTE-CEMLEFRQSA-N 2 0 368.525 3.079 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)C[C@H](c2ncc[nH]2)c2ccccc2)C1 ZINC000553327957 504884474 /nfs/dbraw/zinc/88/44/74/504884474.db2.gz YRIPGFOHAQXLHJ-NSHGMRRFSA-N 2 0 368.525 3.416 20 0 FGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H]2C[C@H](Oc3ccccc3)C2(C)C)CC1 ZINC000556585621 504911322 /nfs/dbraw/zinc/91/13/22/504911322.db2.gz NFFAVQPEJSZKTI-NRSPTQNISA-N 2 0 359.558 3.096 20 0 FGADRP CC[N@H+](Cc1ccc(C(=O)N2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)cc1)C1CC1 ZINC000553434942 504914385 /nfs/dbraw/zinc/91/43/85/504914385.db2.gz XQMNEBYVDZEOLY-UWJYYQICSA-N 2 0 355.526 3.370 20 0 FGADRP Cc1nn(-c2cccc(F)c2)cc1C[NH+]1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000562750315 504932553 /nfs/dbraw/zinc/93/25/53/504932553.db2.gz GNTIUXVSYOCFAR-NHCUHLMSSA-N 2 0 372.488 3.038 20 0 FGADRP COc1ccncc1CN[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000559870622 504940976 /nfs/dbraw/zinc/94/09/76/504940976.db2.gz GXPCWSRFOCQEQJ-HLAWJBBLSA-N 2 0 351.494 3.481 20 0 FGADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCC[C@@H]1COc1cccnc1C ZINC000562810541 504954824 /nfs/dbraw/zinc/95/48/24/504954824.db2.gz JVHDELMKTBNCIV-HXUWFJFHSA-N 2 0 363.465 3.323 20 0 FGADRP CC[C@@H](C(=O)N1CC[NH+](C2CCC2)C[C@@H](C)C1)[N@H+](C)Cc1ccccc1 ZINC000565733674 504971295 /nfs/dbraw/zinc/97/12/95/504971295.db2.gz INOOTSYYRZSQQK-NQIIRXRSSA-N 2 0 357.542 3.230 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N1C[C@@H]([NH+]2CCCC2)C[C@@H]1C)c1ccccc1 ZINC000553708647 504988563 /nfs/dbraw/zinc/98/85/63/504988563.db2.gz XLDFRHPHDBLCFJ-SESVDKBCSA-N 2 0 372.557 3.338 20 0 FGADRP C[C@H](C(=O)N1CCN(c2cc[nH+]c3ccccc32)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000556832978 504989028 /nfs/dbraw/zinc/98/90/28/504989028.db2.gz NYUSEJZVEBFLCZ-KZNAEPCWSA-N 2 0 366.509 3.145 20 0 FGADRP COc1cc(C[NH+]2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)ccc1OC(C)C ZINC000556963556 505032779 /nfs/dbraw/zinc/03/27/79/505032779.db2.gz PRTJBVYOZCBTHY-AZUAARDMSA-N 2 0 362.514 3.201 20 0 FGADRP CCc1cccc(CC)c1NC(=O)[C@H](C)[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000563149792 505060596 /nfs/dbraw/zinc/06/05/96/505060596.db2.gz JCCQPVGLQYDFJP-OXJNMPFZSA-N 2 0 357.542 3.460 20 0 FGADRP Cc1ccc([C@H]([NH3+])C(=O)Nc2cccc(N3CC[NH+](C(C)C)CC3)c2)cc1 ZINC000563159735 505062478 /nfs/dbraw/zinc/06/24/78/505062478.db2.gz JPRDQVNPHHMANH-NRFANRHFSA-N 2 0 366.509 3.164 20 0 FGADRP Cc1ccc([C@@H]([NH3+])C(=O)Nc2cccc(N3CC[NH+](C(C)C)CC3)c2)cc1 ZINC000563159738 505063426 /nfs/dbraw/zinc/06/34/26/505063426.db2.gz JPRDQVNPHHMANH-OAQYLSRUSA-N 2 0 366.509 3.164 20 0 FGADRP COc1ccc(C[NH+](C)C)cc1NC(=O)C[C@@H](c1ccccc1)[NH+](C)C ZINC000566057140 505067609 /nfs/dbraw/zinc/06/76/09/505067609.db2.gz PUJPXMFWQGZRIO-IBGZPJMESA-N 2 0 355.482 3.388 20 0 FGADRP CC[NH+]1CCN(Cc2ccccc2C[NH2+][C@@H](C)c2ccncc2F)CC1 ZINC000550621065 505074438 /nfs/dbraw/zinc/07/44/38/505074438.db2.gz AZFFHXAUBZDQGR-KRWDZBQOSA-N 2 0 356.489 3.209 20 0 FGADRP Cc1ccccc1[C@@H]([NH3+])C(=O)Nc1ccc2ccn(CC[NH+](C)C)c2c1 ZINC000563210731 505076839 /nfs/dbraw/zinc/07/68/39/505076839.db2.gz KLTRKAXBPDZFLK-HXUWFJFHSA-N 2 0 350.466 3.150 20 0 FGADRP C[C@H](CC(=O)Nc1ccccc1CN1C[C@@H](C)O[C@@H](C)C1)n1ccnc1 ZINC000563222998 505080279 /nfs/dbraw/zinc/08/02/79/505080279.db2.gz QZUDIZLSPPVYBI-ZACQAIPSSA-N 2 0 356.470 3.082 20 0 FGADRP COc1cc([C@H](C)[NH2+]CCc2ccc(OCC[NH+](C)C)cc2)c(F)cn1 ZINC000554071150 505080821 /nfs/dbraw/zinc/08/08/21/505080821.db2.gz HFACENLIWLKDOH-HNNXBMFYSA-N 2 0 361.461 3.063 20 0 FGADRP C[C@@H]1C[C@@H](C)C[NH+](CCCC[NH2+]C[C@H](O)COc2cccc3[nH]ccc32)C1 ZINC000566106082 505082417 /nfs/dbraw/zinc/08/24/17/505082417.db2.gz GJGHLHQEYSSQGE-QRVBRYPASA-N 2 0 373.541 3.255 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+]C[C@H](O)COc2cccc3[nH]ccc32)C1 ZINC000566106081 505082515 /nfs/dbraw/zinc/08/25/15/505082515.db2.gz GJGHLHQEYSSQGE-OTWHNJEPSA-N 2 0 373.541 3.255 20 0 FGADRP C[C@H]1C[C@H](CCNC(=O)c2ccc3c[nH+]cn3c2)C[N@@H+]1Cc1ccccc1 ZINC000550716232 505089766 /nfs/dbraw/zinc/08/97/66/505089766.db2.gz XXFVUVVZMDHJDL-HKUYNNGSSA-N 2 0 362.477 3.365 20 0 FGADRP CC(=O)c1ccccc1NC(=O)CCCN1CCC2(CCC[N@H+]2C)CC1 ZINC000563352041 505117501 /nfs/dbraw/zinc/11/75/01/505117501.db2.gz GGUXEMWHTQTDHA-UHFFFAOYSA-N 2 0 357.498 3.168 20 0 FGADRP C[C@H]([NH2+]CCCCC[NH+]1CCCC1)[C@H](c1ccccc1)N1CCOCC1 ZINC000550881995 505119512 /nfs/dbraw/zinc/11/95/12/505119512.db2.gz GZCZECISAYVBEN-RBBKRZOGSA-N 2 0 359.558 3.304 20 0 FGADRP Cc1ccc(-c2noc(CCC[N@@H+]3C[C@@H]4CCC[C@@H]([NH3+])[C@H]4C3)n2)cc1F ZINC000566244453 505121461 /nfs/dbraw/zinc/12/14/61/505121461.db2.gz UXXUSAXJGKEFRT-XYJFISCASA-N 2 0 358.461 3.176 20 0 FGADRP Cc1ccc(-c2noc(CCC[N@@H+]3C[C@@H]4CCC[C@H]([NH3+])[C@@H]4C3)n2)cc1F ZINC000566244451 505121707 /nfs/dbraw/zinc/12/17/07/505121707.db2.gz UXXUSAXJGKEFRT-JZXOWHBKSA-N 2 0 358.461 3.176 20 0 FGADRP C[NH+](C)CCc1ccc(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)cc1 ZINC000557436011 505134597 /nfs/dbraw/zinc/13/45/97/505134597.db2.gz WFAXRUZWVOFKPQ-QFIPXVFZSA-N 2 0 365.521 3.358 20 0 FGADRP COc1cc(NC(C)=O)ccc1[C@H](C)[NH2+]CC1(SC)CC[NH+](C)CC1 ZINC000557540426 505162102 /nfs/dbraw/zinc/16/21/02/505162102.db2.gz XSUXDQJVJWROFP-AWEZNQCLSA-N 2 0 365.543 3.132 20 0 FGADRP CC1(C)OCC[C@@H]1[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000551265432 505188240 /nfs/dbraw/zinc/18/82/40/505188240.db2.gz VKWODOHPQOZXKD-PMACEKPBSA-N 2 0 358.526 3.072 20 0 FGADRP O[C@@H](C[NH2+]C1CC[NH+](CC2CC2)CC1)COc1cc(Cl)ccc1Cl ZINC000563618084 505193772 /nfs/dbraw/zinc/19/37/72/505193772.db2.gz YNMQBPNLVBSNKV-INIZCTEOSA-N 2 0 373.324 3.197 20 0 FGADRP CC1CC[NH+](Cc2ccccc2CNC(=O)NC[C@]2(C)CCC[NH2+]C2)CC1 ZINC000566551525 505203871 /nfs/dbraw/zinc/20/38/71/505203871.db2.gz KRRBAJQMTYHPIH-JOCHJYFZSA-N 2 0 372.557 3.107 20 0 FGADRP O=C(N[C@H]1CCC[N@H+](CC[C@H]2CCC[NH2+]C2)C1)c1cc2ccccc2o1 ZINC000563667924 505205416 /nfs/dbraw/zinc/20/54/16/505205416.db2.gz XPUVHELGCLNZPH-AEFFLSMTSA-N 2 0 355.482 3.017 20 0 FGADRP C[C@H]1C[C@@H](C[N@@H+]2C[C@H]3CCC[C@@]3(c3nc(-c4ccccc4)no3)C2)CC[NH2+]1 ZINC000560965871 505217569 /nfs/dbraw/zinc/21/75/69/505217569.db2.gz DJGFNSOJMBADBP-ZHDKGAKHSA-N 2 0 366.509 3.478 20 0 FGADRP CC(C)[N@H+](C)CC1CC[NH+](C[C@H]2CN(Cc3ccccc3)CCCO2)CC1 ZINC000551699533 505285466 /nfs/dbraw/zinc/28/54/66/505285466.db2.gz FZURDRWVNLFBLX-QHCPKHFHSA-N 2 0 373.585 3.330 20 0 FGADRP CC[NH+](CC)CCCNC(=O)C1CC[NH+](Cc2ccc3occc3c2)CC1 ZINC000554875714 505287262 /nfs/dbraw/zinc/28/72/62/505287262.db2.gz OBKDBYUBWZGGDV-UHFFFAOYSA-N 2 0 371.525 3.493 20 0 FGADRP Cc1ccc(C)c([C@H](C)[NH2+][C@@H](Cc2ccccc2)C(=O)NCC[NH+](C)C)c1 ZINC000558124605 505314231 /nfs/dbraw/zinc/31/42/31/505314231.db2.gz CWEYLYFSBANWMY-UGKGYDQZSA-N 2 0 367.537 3.243 20 0 FGADRP CN(c1ccccc1C[N@@H+]1CCC[C@H]1[C@@H]1CCCO1)C1CC[NH+](C)CC1 ZINC000551813595 505317075 /nfs/dbraw/zinc/31/70/75/505317075.db2.gz NFTPSWNGVJEREW-VXKWHMMOSA-N 2 0 357.542 3.360 20 0 FGADRP CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCC[NH+](Cc2cccc(F)c2)C1 ZINC000561426530 505341532 /nfs/dbraw/zinc/34/15/32/505341532.db2.gz MRAGAWCKDJYKHO-QUCCMNQESA-N 2 0 361.505 3.028 20 0 FGADRP O=C(C1CC[NH+](Cc2cc(-n3ccnc3)cs2)CC1)N1CCCCC1 ZINC000558311064 505358830 /nfs/dbraw/zinc/35/88/30/505358830.db2.gz LUJCFTCFYYSZPJ-UHFFFAOYSA-N 2 0 358.511 3.158 20 0 FGADRP C[C@H](C(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C)[C@@H]([NH3+])c1ccccc1 ZINC000567107795 505365041 /nfs/dbraw/zinc/36/50/41/505365041.db2.gz RPBNWZPVQFWLRM-ZOCIIQOWSA-N 2 0 359.901 3.395 20 0 FGADRP CC[C@@H](C)[NH2+][C@H](CNC(=O)NCc1ccc(C[NH+](C)C)cc1)c1ccco1 ZINC000558376996 505370579 /nfs/dbraw/zinc/37/05/79/505370579.db2.gz HADYWYSWFOILLD-VQIMIIECSA-N 2 0 372.513 3.270 20 0 FGADRP CC[C@H]([NH2+][C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C)c1cccc(C)c1 ZINC000552290047 505451932 /nfs/dbraw/zinc/45/19/32/505451932.db2.gz WHLNHSXJSSPDAG-VXKWHMMOSA-N 2 0 367.537 3.325 20 0 FGADRP C[C@H](C(=O)N1CCC[C@@H]1c1cccs1)N1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000555598415 505468996 /nfs/dbraw/zinc/46/89/96/505468996.db2.gz SLEMGQSMDIKFSO-MBOZVWFJSA-N 2 0 361.555 3.218 20 0 FGADRP C[C@H](C(=O)N1CCC[C@H]1c1cccs1)N1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000555598418 505469428 /nfs/dbraw/zinc/46/94/28/505469428.db2.gz SLEMGQSMDIKFSO-UWVAXJGDSA-N 2 0 361.555 3.218 20 0 FGADRP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+]1CC[C@@H](CC2CC2)C1 ZINC000555697066 505492518 /nfs/dbraw/zinc/49/25/18/505492518.db2.gz ROMZVGYONURQFT-RXVVDRJESA-N 2 0 369.553 3.278 20 0 FGADRP CC(C)[NH+]1CCC(C(=O)NC[C@@H](c2ccc(Cl)cc2)[NH+](C)C)CC1 ZINC000564719991 505502193 /nfs/dbraw/zinc/50/21/93/505502193.db2.gz BRLMXQXWCGOGMK-SFHVURJKSA-N 2 0 351.922 3.179 20 0 FGADRP Clc1cccc([C@H]2CC[C@H]([NH2+]Cc3nnc(C4CC[NH2+]CC4)[nH]3)C2)c1 ZINC000564839760 505535120 /nfs/dbraw/zinc/53/51/20/505535120.db2.gz BPOSWFSJOQCPFR-RDJZCZTQSA-N 2 0 359.905 3.351 20 0 FGADRP C[C@@H]([NH2+]C[C@H](O)COc1cccc(C(F)(F)F)c1)C(C)(C)C[NH+](C)C ZINC000564853667 505539735 /nfs/dbraw/zinc/53/97/35/505539735.db2.gz HKHRQJBYCRRNKT-HIFRSBDPSA-N 2 0 362.436 3.011 20 0 FGADRP COc1ccc([C@H](CNC(=O)C[C@@H]2CCCC[C@H]2[NH3+])[NH+]2CCCCC2)cc1 ZINC000567746537 505555373 /nfs/dbraw/zinc/55/53/73/505555373.db2.gz XSJRGLPDBBOTTN-TYPHKJRUSA-N 2 0 373.541 3.246 20 0 FGADRP COc1ccc([C@H](CNC(=O)C[C@H]2CCCC[C@H]2[NH3+])[NH+]2CCCCC2)cc1 ZINC000567746536 505555592 /nfs/dbraw/zinc/55/55/92/505555592.db2.gz XSJRGLPDBBOTTN-NRSPTQNISA-N 2 0 373.541 3.246 20 0 FGADRP CC(C)[C@H](NC(=O)c1cnn(-c2ccncc2)c1C(F)F)c1ncc[nH]1 ZINC000559040638 505555736 /nfs/dbraw/zinc/55/57/36/505555736.db2.gz ABZJJSCVUPNCML-ZDUSSCGKSA-N 2 0 360.368 3.055 20 0 FGADRP [NH3+][C@H]1CCCC[C@H]1CC(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000564931348 505560691 /nfs/dbraw/zinc/56/06/91/505560691.db2.gz GOLIQQQOTGJWMN-SFTDATJTSA-N 2 0 369.553 3.409 20 0 FGADRP O=C(Nc1cccc(C[NH+]2CCSCC2)c1)[C@H]1C[NH2+]Cc2ccccc21 ZINC000567784104 505562656 /nfs/dbraw/zinc/56/26/56/505562656.db2.gz HUWHYEKICWNZBL-FQEVSTJZSA-N 2 0 367.518 3.061 20 0 FGADRP CC(C)[NH+](C)CC1CCN(C(=O)N[C@H](C)C[N@H+](C)Cc2ccccc2)CC1 ZINC000582838287 506448798 /nfs/dbraw/zinc/44/87/98/506448798.db2.gz DICVIBIRSMIHDN-LJQANCHMSA-N 2 0 374.573 3.269 20 0 FGADRP C[C@H](CC[NH+](C)C)NC(=O)c1ccccc1OCC[N@@H+]1CCCC[C@H]1C ZINC000603307830 506482014 /nfs/dbraw/zinc/48/20/14/506482014.db2.gz XMFOIRASVAGERK-QZTJIDSGSA-N 2 0 361.530 3.010 20 0 FGADRP C[C@H](CC[NH+](C)C)NC(=O)c1ccccc1OCC[N@@H+]1CCCC[C@@H]1C ZINC000603307828 506482506 /nfs/dbraw/zinc/48/25/06/506482506.db2.gz XMFOIRASVAGERK-MSOLQXFVSA-N 2 0 361.530 3.010 20 0 FGADRP C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)CC[NH2+]C2CC2)cc1 ZINC000582915517 506487064 /nfs/dbraw/zinc/48/70/64/506487064.db2.gz PEKSIPAGNOZBQL-UHFFFAOYSA-N 2 0 351.494 3.174 20 0 FGADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000612239172 506493700 /nfs/dbraw/zinc/49/37/00/506493700.db2.gz IAJSTXVNFXPJJL-XUVXKRRUSA-N 2 0 366.594 3.260 20 0 FGADRP COC(=O)c1cc(C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)n(C)c1C ZINC000589730380 506639405 /nfs/dbraw/zinc/63/94/05/506639405.db2.gz ZGOHKZHJHCKUFW-UHFFFAOYSA-N 2 0 361.530 3.208 20 0 FGADRP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)NCc1ccc(C[NH+]2CCC[C@H](C)C2)cc1 ZINC000583235594 506664438 /nfs/dbraw/zinc/66/44/38/506664438.db2.gz FLLWQHBPFCDEJE-RBUKOAKNSA-N 2 0 374.573 3.446 20 0 FGADRP CCC[N@@H+]1CC[C@H](CNC(=O)N[C@@H](C[NH+]2CCCCC2)c2ccccc2)C1 ZINC000604179909 506739619 /nfs/dbraw/zinc/73/96/19/506739619.db2.gz WNRQPIUSSRDSGZ-CTNGQTDRSA-N 2 0 372.557 3.245 20 0 FGADRP C[C@H](C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000600014392 506746524 /nfs/dbraw/zinc/74/65/24/506746524.db2.gz UDWAXSXZZMXSTE-STZQEDGTSA-N 2 0 369.553 3.073 20 0 FGADRP CC(C)C[NH+]1CCN(C(=O)N[C@@H](C[NH+]2CCCCC2)c2ccccc2)CC1 ZINC000604203849 506749804 /nfs/dbraw/zinc/74/98/04/506749804.db2.gz CNVDLHJGEHLQEZ-NRFANRHFSA-N 2 0 372.557 3.197 20 0 FGADRP COC[C@@H]1CCCC[NH+]1Cc1cncc(C[N@H+]2CCCC[C@H]2COC)c1 ZINC000583422670 506770373 /nfs/dbraw/zinc/77/03/73/506770373.db2.gz WWZOYJWRDPVTPP-SFTDATJTSA-N 2 0 361.530 3.083 20 0 FGADRP C[C@@H]1CCN(Cc2ccnn2-c2cc[nH+]cc2)C[C@@H]1C(=O)OC(C)(C)C ZINC000597153588 506801114 /nfs/dbraw/zinc/80/11/14/506801114.db2.gz HANMUBAGACWBNK-QAPCUYQASA-N 2 0 356.470 3.067 20 0 FGADRP Cc1cccc([C@H](C)NC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)c1C ZINC000604669376 506906405 /nfs/dbraw/zinc/90/64/05/506906405.db2.gz DMRMBBJQCKNUEL-IBGZPJMESA-N 2 0 362.562 3.279 20 0 FGADRP CC(C)[N@H+](C)CC1CC[NH+](C[C@H](O)COc2ccc(Cl)cc2)CC1 ZINC000590786499 506955761 /nfs/dbraw/zinc/95/57/61/506955761.db2.gz CNIRQQURZQGCMG-SFHVURJKSA-N 2 0 354.922 3.132 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc2c(ccc(C)c2C)[nH]1 ZINC000604863986 506967644 /nfs/dbraw/zinc/96/76/44/506967644.db2.gz RBXKLRHVNJVNTJ-GOSISDBHSA-N 2 0 370.541 3.273 20 0 FGADRP CC(C)c1ccc([C@@H]([NH3+])CNC(=O)N2CC[N@@H+](C3CCC3)C[C@H](C)C2)cc1 ZINC000583921542 507052835 /nfs/dbraw/zinc/05/28/35/507052835.db2.gz JGXHGTDWHFBBKQ-UWJYYQICSA-N 2 0 372.557 3.326 20 0 FGADRP CCOC(=O)C1([C@H](C)[NH2+]CC2CCc3ccccc3CC2)CC[NH2+]CC1 ZINC000600701891 507071679 /nfs/dbraw/zinc/07/16/79/507071679.db2.gz HLLJXSPSAYCWJL-KRWDZBQOSA-N 2 0 358.526 3.093 20 0 FGADRP CCOC(=O)C1([C@H](C)[NH2+]Cc2c(Cl)oc3ccccc32)CC[NH2+]CC1 ZINC000600711393 507076846 /nfs/dbraw/zinc/07/68/46/507076846.db2.gz STIUXEZXAGHMNQ-ZDUSSCGKSA-N 2 0 364.873 3.497 20 0 FGADRP CC(C)(C[NH2+]C[C@H](O)Cc1ccc(C(F)(F)F)cc1)C[NH+]1CCCC1 ZINC000584048847 507123514 /nfs/dbraw/zinc/12/35/14/507123514.db2.gz LKBJECHAZMPGMR-QGZVFWFLSA-N 2 0 358.448 3.320 20 0 FGADRP C[C@@H](CNC(=O)N1CCN(Cc2ccccc2)C[C@H]1C)[N@@H+]1CCCC[C@@H]1C ZINC000600843736 507145239 /nfs/dbraw/zinc/14/52/39/507145239.db2.gz CANOKINFZPXUER-SLFFLAALSA-N 2 0 372.557 3.165 20 0 FGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+][C@H](C)c2cncnc2C)CC1 ZINC000584182660 507199060 /nfs/dbraw/zinc/19/90/60/507199060.db2.gz HPOKLPFZQLGQHB-IAGOWNOFSA-N 2 0 371.504 3.478 20 0 FGADRP CCC(CC)[C@H](CNC(=O)N1CCC[C@H]1C[NH+]1CCCC1)[NH+]1CCCC1 ZINC000591553460 507289130 /nfs/dbraw/zinc/28/91/30/507289130.db2.gz GJFWGAYQFRCQCH-PMACEKPBSA-N 2 0 364.578 3.157 20 0 FGADRP O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)Nc1cccc2c1CC[NH2+]C2 ZINC000584339659 507290862 /nfs/dbraw/zinc/29/08/62/507290862.db2.gz LJAWJJJNTJWLQZ-NRFANRHFSA-N 2 0 364.493 3.291 20 0 FGADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)NCCCC[NH+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000591559095 507291739 /nfs/dbraw/zinc/29/17/39/507291739.db2.gz GZAULUWIKRKENY-HSALFYBXSA-N 2 0 366.594 3.164 20 0 FGADRP CC(C)[C@H](C(=O)Nc1cccc(NC(=O)C[NH+]2CCCCCC2)c1)[C@@H](C)[NH3+] ZINC000584348113 507295553 /nfs/dbraw/zinc/29/55/53/507295553.db2.gz YSBCTYQSFMJNFW-UZLBHIALSA-N 2 0 374.529 3.059 20 0 FGADRP CC(C)[NH2+][C@H]1CCCN(C(=O)NC[C@@H](c2ccccc2Cl)N(C)C)C1 ZINC000601215447 507298242 /nfs/dbraw/zinc/29/82/42/507298242.db2.gz DRRAQDJVAOJGTC-YJBOKZPZSA-N 2 0 366.937 3.115 20 0 FGADRP C[C@H]([NH2+][C@H]1CC12CC[NH2+]CC2)c1ccccc1I ZINC000591579393 507300997 /nfs/dbraw/zinc/30/09/97/507300997.db2.gz XJRYJAXLFPVDRQ-FZMZJTMJSA-N 2 0 356.251 3.084 20 0 FGADRP C[N@H+]1CC=C(C[NH2+][C@H]2CCc3ccc(I)cc32)CC1 ZINC000595025364 507358824 /nfs/dbraw/zinc/35/88/24/507358824.db2.gz GUYRBDWKLCDNQU-INIZCTEOSA-N 2 0 368.262 3.130 20 0 FGADRP CCOC(=O)C1CCC([NH2+]CC2CC[NH+](Cc3ccncc3)CC2)CC1 ZINC000595069858 507377264 /nfs/dbraw/zinc/37/72/64/507377264.db2.gz SNDMPHDBQZPHDV-UHFFFAOYSA-N 2 0 359.514 3.005 20 0 FGADRP CC[NH+]1CCC(N2CCCN(C(=O)c3cc4cc(C)ccc4[nH]3)CC2)CC1 ZINC000584523575 507392506 /nfs/dbraw/zinc/39/25/06/507392506.db2.gz LPWOZFJCZLRCHD-UHFFFAOYSA-N 2 0 368.525 3.109 20 0 FGADRP CC[NH+]1CCN(c2ccc(NC(=O)[C@H](CC(C)(C)C)[NH2+]C)c(C)c2)CC1 ZINC000584527549 507395508 /nfs/dbraw/zinc/39/55/08/507395508.db2.gz RUOIZBISPWODND-IBGZPJMESA-N 2 0 360.546 3.100 20 0 FGADRP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(C[NH2+]C[C@@H]3CNc4ccnn4C3)cc2)C1 ZINC000595139030 507405548 /nfs/dbraw/zinc/40/55/48/507405548.db2.gz GLOISDLKLQSZQF-DBXWQHBBSA-N 2 0 367.541 3.193 20 0 FGADRP CC[NH+](CC)CCCNC(=O)C1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000606539559 507438365 /nfs/dbraw/zinc/43/83/65/507438365.db2.gz LKJAQSLAOCPMFI-WQLSENKSSA-N 2 0 357.542 3.260 20 0 FGADRP CC[N@H+](CCNC(=O)N(C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1)C(C)C ZINC000606666934 507475425 /nfs/dbraw/zinc/47/54/25/507475425.db2.gz VQAQAPOTVQKYSS-FPOVZHCZSA-N 2 0 374.573 3.411 20 0 FGADRP CC[NH+]1CCC(CNC(=O)[C@@H](C)[NH+]2CCC(Cc3ccccc3)CC2)CC1 ZINC000584738428 507476814 /nfs/dbraw/zinc/47/68/14/507476814.db2.gz IKHFIOFZLFBGBH-LJQANCHMSA-N 2 0 371.569 3.178 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1c[nH]nc1-c1ccc(F)cc1 ZINC000584865919 507548260 /nfs/dbraw/zinc/54/82/60/507548260.db2.gz LJAHUADIJKPDSH-FQEVSTJZSA-N 2 0 373.520 3.064 20 0 FGADRP CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)c2cccc(OCC[NH+](C)C)c2)[C@@H]1SC ZINC000592393455 507635248 /nfs/dbraw/zinc/63/52/48/507635248.db2.gz ATGQUQUSOURJCA-PIKADFDJSA-N 2 0 352.544 3.187 20 0 FGADRP C[C@H]1CN(Cc2ccccn2)CC[C@H]1[NH2+]CCCCC(=O)OC(C)(C)C ZINC000611367562 507644646 /nfs/dbraw/zinc/64/46/46/507644646.db2.gz KHOXOLXRYKMDOF-PKOBYXMFSA-N 2 0 361.530 3.394 20 0 FGADRP CCc1ccc([C@@H](NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)C(C)C)cc1 ZINC000607227659 507659099 /nfs/dbraw/zinc/65/90/99/507659099.db2.gz ZPHRJYYVEKJZME-FQEVSTJZSA-N 2 0 362.562 3.081 20 0 FGADRP CC(C)[C@@H](NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1ccc(Cl)cc1 ZINC000607228450 507661353 /nfs/dbraw/zinc/66/13/53/507661353.db2.gz PUORBTJKDSEHEN-GOSISDBHSA-N 2 0 368.953 3.172 20 0 FGADRP Cc1ccc([C@H](CNC(=O)Cc2cn3cccc(C)c3n2)[NH+]2CCCC2)o1 ZINC000586760726 507662479 /nfs/dbraw/zinc/66/24/79/507662479.db2.gz RLLSHACJHLNWTO-SFHVURJKSA-N 2 0 366.465 3.040 20 0 FGADRP CC[NH+](CC)Cc1ccccc1CNC(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000592479227 507672987 /nfs/dbraw/zinc/67/29/87/507672987.db2.gz QTLFMDYJNJIPCH-HXUWFJFHSA-N 2 0 372.557 3.345 20 0 FGADRP CC(C)[C@H](CNC(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1)[NH+]1CCCCCC1 ZINC000592481406 507674421 /nfs/dbraw/zinc/67/44/21/507674421.db2.gz IOTUJZQKMSCGJM-QUCCMNQESA-N 2 0 364.578 3.203 20 0 FGADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC000607384385 507715222 /nfs/dbraw/zinc/71/52/22/507715222.db2.gz CVIURDQDFLAEPA-UTKZUKDTSA-N 2 0 351.494 3.314 20 0 FGADRP c1ccc(C[N@@H+]2CCCO[C@H](CN[C@@H]3CCC[C@H]3[C@H]3CCCC[NH2+]3)C2)cc1 ZINC000390870890 568396180 /nfs/dbraw/zinc/39/61/80/568396180.db2.gz OUGSNHQYRHYREB-KAOXLYBCSA-N 2 0 371.569 3.178 20 0 FGADRP CC[C@H](C)[NH2+][C@@H](CNC(=O)N1CCC(CC)([NH+](C)C)CC1)c1ccco1 ZINC000637139749 568448260 /nfs/dbraw/zinc/44/82/60/568448260.db2.gz OCGCFYJKTHSASV-IRXDYDNUSA-N 2 0 364.534 3.225 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2ccccc2-c2nn[nH]n2)CC1 ZINC000820703720 606914900 /nfs/dbraw/zinc/91/49/00/606914900.db2.gz JVGGTDUXCFDJEU-QGZVFWFLSA-N 2 0 368.529 3.343 20 0 FGADRP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824530626 609350216 /nfs/dbraw/zinc/35/02/16/609350216.db2.gz MINBKFWLNUCBDE-RLFYNMQTSA-N 2 0 354.502 3.170 20 0 FGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+]Cc2ccc(CSC(F)F)o2)CC1 ZINC000105441832 700501093 /nfs/dbraw/zinc/50/10/93/700501093.db2.gz WSBRRRLXXKXYTO-CQSZACIVSA-N 2 0 361.502 3.099 20 0 FGADRP Clc1cc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)c2ccccc2n1 ZINC000154615668 705041909 /nfs/dbraw/zinc/04/19/09/705041909.db2.gz NWWKXBSFVHDOSG-UHFFFAOYSA-N 2 0 359.901 3.432 20 0 FGADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H]2CCSc3c(Cl)cccc32)CC1 ZINC000155727747 705089006 /nfs/dbraw/zinc/08/90/06/705089006.db2.gz ANFNZZJMHBVUMM-WMLDXEAASA-N 2 0 353.963 3.493 20 0 FGADRP CCC[NH+]1CCC([NH2+][C@@H]2CCN(c3cc(Cl)ccc3OC)C2)CC1 ZINC000157940479 705167842 /nfs/dbraw/zinc/16/78/42/705167842.db2.gz MHWGMGITLRBXKQ-QGZVFWFLSA-N 2 0 351.922 3.391 20 0 FGADRP C[C@@H]([NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1)c1cccnc1Cl ZINC000163509962 705315482 /nfs/dbraw/zinc/31/54/82/705315482.db2.gz LLXWJABBUDHORQ-CQSZACIVSA-N 2 0 366.937 3.012 20 0 FGADRP C[C@@H]([NH2+]C1CCN(Cc2ccc(F)c(F)c2)CC1)C1CC[NH+](C)CC1 ZINC000166185765 705343127 /nfs/dbraw/zinc/34/31/27/705343127.db2.gz ZRSVPWQOPZAWRK-OAHLLOKOSA-N 2 0 351.485 3.249 20 0 FGADRP C[C@@H]([NH2+]CCN1CC[NH+](Cc2ccccc2)CC1)c1ccc(Cl)nc1 ZINC000179096633 705688439 /nfs/dbraw/zinc/68/84/39/705688439.db2.gz FYBRDACXMNCIEW-QGZVFWFLSA-N 2 0 358.917 3.203 20 0 FGADRP CCCC[NH+]1CCC([NH2+]C[C@]2(C)CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000195194431 713548703 /nfs/dbraw/zinc/54/87/03/713548703.db2.gz AIKCTYCUCSPVRH-FQEVSTJZSA-N 2 0 353.551 3.488 20 0 FGADRP C[C@H](C[NH2+]C[C@@]1(C)CCN(C(=O)OC(C)(C)C)C1)C[NH+]1CCCCC1 ZINC000195191835 713548834 /nfs/dbraw/zinc/54/88/34/713548834.db2.gz VSANCCDWPKZAOJ-YLJYHZDGSA-N 2 0 353.551 3.345 20 0 FGADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+]C[C@]2(C)CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000195201380 713549203 /nfs/dbraw/zinc/54/92/03/713549203.db2.gz MFQBKHOAIGVYSE-XLIONFOSSA-N 2 0 353.551 3.344 20 0 FGADRP C[C@H](CC[NH2+]C[C@]1(C)CCN(C(=O)OC(C)(C)C)C1)[NH+]1CCCCC1 ZINC000195222974 713549759 /nfs/dbraw/zinc/54/97/59/713549759.db2.gz MUSXACNUDQTWAL-XLIONFOSSA-N 2 0 353.551 3.488 20 0 FGADRP C[C@H](CNC(=O)NCCC[N@H+](C)C1CCCCC1)C[NH+]1CCCCC1 ZINC000195551787 713559135 /nfs/dbraw/zinc/55/91/35/713559135.db2.gz NUNZELMINCQXLH-GOSISDBHSA-N 2 0 352.567 3.062 20 0 FGADRP CCN1CC[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@]1(C)CCN(C(=O)OC(C)(C)C)C1 ZINC000249527222 713667604 /nfs/dbraw/zinc/66/76/04/713667604.db2.gz ZAJWCSDVEQJGPI-UWVAXJGDSA-N 2 0 351.535 3.192 20 0 FGADRP C[NH+](C)CCC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000305146162 713792647 /nfs/dbraw/zinc/79/26/47/713792647.db2.gz FPOBDRZTJYTXLW-KZNAEPCWSA-N 2 0 353.551 3.486 20 0 FGADRP Cc1nnc(N2CCC([NH2+]CCCC[N@H+]3CCCC[C@@H]3C)CC2)s1 ZINC000374720725 713940923 /nfs/dbraw/zinc/94/09/23/713940923.db2.gz XGYAFNOABJSYHE-HNNXBMFYSA-N 2 0 351.564 3.060 20 0 FGADRP [NH3+][C@@H]1CCC[C@@H](NC(=O)NC[C@@H](c2cccc(Cl)c2)[NH+]2CCCC2)C1 ZINC000416989285 714008247 /nfs/dbraw/zinc/00/82/47/714008247.db2.gz DGVBLXKSPZHBLL-KURKYZTESA-N 2 0 364.921 3.046 20 0 FGADRP CCCC[NH+]1CCC(NC(=O)NC[C@]2([NH+](C)C)CCC[C@H](C)C2)CC1 ZINC000523335741 714228806 /nfs/dbraw/zinc/22/88/06/714228806.db2.gz JTYONCPCKXQNBI-PXNSSMCTSA-N 2 0 352.567 3.061 20 0 FGADRP C[C@@H]1CCC[C@](CNC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)([NH+](C)C)C1 ZINC000523912574 714258294 /nfs/dbraw/zinc/25/82/94/714258294.db2.gz BWUICKMDVAIBEM-UWVAXJGDSA-N 2 0 354.583 3.163 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)N1CCC[C@@H](C[NH3+])C1)c1ccccc1Cl ZINC000577831379 714470094 /nfs/dbraw/zinc/47/00/94/714470094.db2.gz CUCQVQJXSNGEQV-YJBOKZPZSA-N 2 0 366.937 3.103 20 0 FGADRP CC[NH+](CC)CC1CC[NH+](C[C@@H](O)COCc2ccccc2Cl)CC1 ZINC000642643441 717986351 /nfs/dbraw/zinc/98/63/51/717986351.db2.gz LGEMOYAMEHDWDA-LJQANCHMSA-N 2 0 368.949 3.271 20 0 FGADRP C[NH+](C)[C@@H](CNC(=O)N1CCC[N@@H+](C(C)(C)C)CC1)C1CCCCC1 ZINC000621701144 715019441 /nfs/dbraw/zinc/01/94/41/715019441.db2.gz FYWMUYHWAPGPBC-SFHVURJKSA-N 2 0 352.567 3.013 20 0 FGADRP Brc1ccc([C@@H]([NH2+]CC2=CC[NH2+]CC2)[C@@H]2CCCO2)cc1 ZINC000643520313 718037641 /nfs/dbraw/zinc/03/76/41/718037641.db2.gz MAQXPFGLGPRUCM-DLBZAZTESA-N 2 0 351.288 3.179 20 0 FGADRP C[C@H]([NH2+][C@@H]1CC12CC[NH2+]CC2)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000643533850 718037993 /nfs/dbraw/zinc/03/79/93/718037993.db2.gz FXAWZOUBHNWEPL-HNAYVOBHSA-N 2 0 362.539 3.196 20 0 FGADRP C[N@@H+]1CC[C@H](N[C@H](CCO)c2ccccc2Br)CC1(C)C ZINC000623488156 715346034 /nfs/dbraw/zinc/34/60/34/715346034.db2.gz JVGHGRZQOZDABX-XJKSGUPXSA-N 2 0 355.320 3.335 20 0 FGADRP C[N@@H+]1CC[C@H]([NH2+]C[C@H](CO)Cc2ccccc2Br)CC1(C)C ZINC000623507284 715350608 /nfs/dbraw/zinc/35/06/08/715350608.db2.gz BNUBXQRXOWCFTP-ZBFHGGJFSA-N 2 0 369.347 3.063 20 0 FGADRP C[C@@H](C[NH2+]Cc1c[nH]nc1-c1ccc(Br)s1)C[NH+](C)C ZINC000623529984 715355017 /nfs/dbraw/zinc/35/50/17/715355017.db2.gz IBUWHYNSSDWFAW-JTQLQIEISA-N 2 0 357.321 3.188 20 0 FGADRP Cc1cc(C[NH2+]CC2CC[NH+](CC3CC3)CC2)ncc1Br ZINC000623575282 715364938 /nfs/dbraw/zinc/36/49/38/715364938.db2.gz TVRYKVVKIBFQMY-UHFFFAOYSA-N 2 0 352.320 3.364 20 0 FGADRP Fc1cc(Br)cnc1C[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000623575316 715364942 /nfs/dbraw/zinc/36/49/42/715364942.db2.gz VCIAVEMBBPUFNJ-UHFFFAOYSA-N 2 0 356.283 3.195 20 0 FGADRP Cc1csc([C@@H](C)[NH2+]CCCN2CC[N@H+](C)C[C@@H]2c2ccccc2)n1 ZINC000623861468 715417703 /nfs/dbraw/zinc/41/77/03/715417703.db2.gz YYEVPUSFKJSPSK-IEBWSBKVSA-N 2 0 358.555 3.481 20 0 FGADRP CCC[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1cc(C)sc1C ZINC000623888669 715424539 /nfs/dbraw/zinc/42/45/39/715424539.db2.gz PKPATUGQOJOHCK-AEFFLSMTSA-N 2 0 351.560 3.383 20 0 FGADRP C[NH+]1CCC(N2CC[C@@H]([NH2+][C@H]3CCc4cc(F)c(Cl)cc43)C2)CC1 ZINC000623892989 715426224 /nfs/dbraw/zinc/42/62/24/715426224.db2.gz BKOBYRDEROENER-KUHUBIRLSA-N 2 0 351.897 3.225 20 0 FGADRP C[NH+]1CCC(O)(C[NH2+][C@H]2CCCC[C@H]2Sc2ccc(F)cc2)CC1 ZINC000623897288 715426887 /nfs/dbraw/zinc/42/68/87/715426887.db2.gz KDOBFJVIJFUNIF-ZWKOTPCHSA-N 2 0 352.519 3.275 20 0 FGADRP C[C@@H]([NH2+]C[C@H]1CCCN1CC(F)F)c1ccc(OCC[NH+](C)C)cc1 ZINC000624095443 715470893 /nfs/dbraw/zinc/47/08/93/715470893.db2.gz DACWCDMJQJWJOQ-NVXWUHKLSA-N 2 0 355.473 3.007 20 0 FGADRP C[NH+](Cc1cc(Cl)cc(C[N@@H+](C)CC2(C)COC2)c1)CC1(C)COC1 ZINC000625793614 715792285 /nfs/dbraw/zinc/79/22/85/715792285.db2.gz YXAMFPRPHJDHLI-UHFFFAOYSA-N 2 0 366.933 3.277 20 0 FGADRP C[NH+](C)C[C@H](NC(=O)N[C@H]1CCC[C@@H]([NH3+])C1)c1ccc(Cl)c(Cl)c1 ZINC000627087222 715995284 /nfs/dbraw/zinc/99/52/84/715995284.db2.gz HSGCRDMDGYQIMS-WWGRRREGSA-N 2 0 373.328 3.165 20 0 FGADRP CN1CCC([NH+]2CCC(CC[N@H+](C)C[C@@]3(C)CCCS3)CC2)CC1 ZINC000628186431 716122398 /nfs/dbraw/zinc/12/23/98/716122398.db2.gz KKTDHABGOXKNRF-HXUWFJFHSA-N 2 0 353.620 3.400 20 0 FGADRP O[C@H](C[NH2+]CC1(c2cccc(C(F)(F)F)c2)CCC1)C[NH+]1CCCC1 ZINC000629567507 716310723 /nfs/dbraw/zinc/31/07/23/716310723.db2.gz XZQQUZVYNAZZFG-QGZVFWFLSA-N 2 0 356.432 3.173 20 0 FGADRP O[C@H](C[NH2+]C[C@@H]1CCN1C1CCCCC1)COc1ccccc1Cl ZINC000629609145 716321123 /nfs/dbraw/zinc/32/11/23/716321123.db2.gz WUYOTANXHZEVCN-DLBZAZTESA-N 2 0 352.906 3.076 20 0 FGADRP CCN1CC[NH+](CCCC[NH2+]Cc2ccc(CC(F)(F)F)cc2)CC1 ZINC000631041437 716552791 /nfs/dbraw/zinc/55/27/91/716552791.db2.gz JQOGATWRZWWITF-UHFFFAOYSA-N 2 0 357.464 3.299 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000769386182 723683784 /nfs/dbraw/zinc/68/37/84/723683784.db2.gz YJYPYJWHOPDQKQ-FGTMMUONSA-N 2 0 353.551 3.344 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC2([C@H]3CCCCO3)CCC2)[C@@H](C)C1 ZINC000631732080 716669626 /nfs/dbraw/zinc/66/96/26/716669626.db2.gz VNABYXDPGZFTEE-SLFFLAALSA-N 2 0 352.563 3.452 20 0 FGADRP C[NH+](C)[C@H](CNC(=O)[C@H]([NH3+])c1ccc(C(F)(F)F)cc1)c1cccs1 ZINC000638048176 717404290 /nfs/dbraw/zinc/40/42/90/717404290.db2.gz BMRRSONMSXSQNU-UKRRQHHQSA-N 2 0 371.428 3.186 20 0 FGADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2Cc1ccc(CC(F)(F)F)cc1 ZINC000638178077 717416779 /nfs/dbraw/zinc/41/67/79/717416779.db2.gz FAKHYBNLVXRJKH-KZNAEPCWSA-N 2 0 356.432 3.475 20 0 FGADRP C[N@H+](CCCC[NH+]1CCCCC1)Cc1cc(=O)n2cc(Cl)ccc2n1 ZINC000640533143 717761005 /nfs/dbraw/zinc/76/10/05/717761005.db2.gz NIXKQDZTDZZICE-UHFFFAOYSA-N 2 0 362.905 3.046 20 0 FGADRP Clc1ccc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c(-n2cncn2)c1 ZINC000647543631 718366653 /nfs/dbraw/zinc/36/66/53/718366653.db2.gz QMVCOPMOEIDWRD-HZPDHXFCSA-N 2 0 359.905 3.132 20 0 FGADRP Oc1cccc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c1Br ZINC000647544568 718366772 /nfs/dbraw/zinc/36/67/72/718366772.db2.gz YCILSTTUMYXVGT-ZIAGYGMSSA-N 2 0 353.304 3.366 20 0 FGADRP Clc1ccccc1Cn1cc(C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cn1 ZINC000647546149 718366948 /nfs/dbraw/zinc/36/69/48/718366948.db2.gz BDNIGOVAVBWWCL-QZTJIDSGSA-N 2 0 358.917 3.406 20 0 FGADRP C[C@H](Cc1ccc(F)c(Br)c1)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000647549819 718367187 /nfs/dbraw/zinc/36/71/87/718367187.db2.gz SLQOXVHKEXFIGO-FAAHXZRKSA-N 2 0 355.295 3.497 20 0 FGADRP FC(F)(F)c1ccc(N2CC[C@H]([NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@H]4C3)C2)cc1 ZINC000647786744 718377826 /nfs/dbraw/zinc/37/78/26/718377826.db2.gz XXBDZGMQUWEETN-SRABZTEZSA-N 2 0 353.432 3.262 20 0 FGADRP CN(C)[C@H](C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)c1cccc(C(F)(F)F)c1 ZINC000647795226 718377937 /nfs/dbraw/zinc/37/79/37/718377937.db2.gz LEONKGZSAIZNCR-JOCBIADPSA-N 2 0 355.448 3.286 20 0 FGADRP Brc1cccc2c1OCC[C@@H]2[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000647796732 718378146 /nfs/dbraw/zinc/37/81/46/718378146.db2.gz LMDKYBIQEXZDKR-JXFSHQFZSA-N 2 0 351.288 3.250 20 0 FGADRP Clc1ccc(-c2noc(CC[N@@H+]3CCC[C@@H]([C@H]4CCC[NH2+]4)C3)n2)cc1 ZINC000647904233 718385504 /nfs/dbraw/zinc/38/55/04/718385504.db2.gz ZNLCQCCFVNAKDZ-NVXWUHKLSA-N 2 0 360.889 3.397 20 0 FGADRP O=C1[C@H]([NH+]2CCC3(CC[NH2+]C3)CC2)CCN1c1ccc(Cl)c(Cl)c1 ZINC000647975147 718391078 /nfs/dbraw/zinc/39/10/78/718391078.db2.gz MVUKPBSIAUORAQ-MRXNPFEDSA-N 2 0 368.308 3.174 20 0 FGADRP O=C(CC[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1)NCc1ccccc1Cl ZINC000647975617 718391125 /nfs/dbraw/zinc/39/11/25/718391125.db2.gz CRDKZPAQGMDIOB-FUHWJXTLSA-N 2 0 363.933 3.058 20 0 FGADRP CN(Cc1ccc(Cl)s1)C(=O)C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647976290 718391305 /nfs/dbraw/zinc/39/13/05/718391305.db2.gz MOTVEDLHFCAIAU-CABCVRRESA-N 2 0 369.962 3.072 20 0 FGADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@H+](Cc3ccc(F)cc3Br)C2)C1 ZINC000650707862 718717435 /nfs/dbraw/zinc/71/74/35/718717435.db2.gz OKPQTFAZLZKNJV-YSVLISHTSA-N 2 0 371.294 3.307 20 0 FGADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@@H+]2Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000650721810 718720015 /nfs/dbraw/zinc/72/00/15/718720015.db2.gz CCFOERJEJSPDMO-HYVNUMGLSA-N 2 0 358.404 3.446 20 0 FGADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@@H+]2Cc2ccc(OC(F)F)c(F)c2)C1 ZINC000650722815 718720429 /nfs/dbraw/zinc/72/04/29/718720429.db2.gz BTPRSTYSBYDQJM-UKPHBRMFSA-N 2 0 358.404 3.288 20 0 FGADRP COc1ccc2nc(C[N@@H+]3CCCC[C@@H]3[C@@H]3C[C@H]([NH3+])CCO3)sc2c1 ZINC000650724012 718721203 /nfs/dbraw/zinc/72/12/03/718721203.db2.gz WUURVTBGCRRYCH-XYPHTWIQSA-N 2 0 361.511 3.166 20 0 FGADRP CC[N@H+](CCCNC(=O)N1CCC([NH2+]C(C)C)CC1)C1CCCCC1 ZINC000651220386 718784153 /nfs/dbraw/zinc/78/41/53/718784153.db2.gz DOCADIOLLLDSIS-UHFFFAOYSA-N 2 0 352.567 3.203 20 0 FGADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2CCC(=O)Nc2ccc(Cl)cc2)C1 ZINC000652361799 718936800 /nfs/dbraw/zinc/93/68/00/718936800.db2.gz PMFPAYFZVDJQEY-NXHRZFHOSA-N 2 0 365.905 3.029 20 0 FGADRP [NH3+]C1CCC(NC(=O)Nc2ccc(SCC[NH+]3CCCC3)cc2)CC1 ZINC000652613254 718965968 /nfs/dbraw/zinc/96/59/68/718965968.db2.gz OOKAPEGNXUGOOX-UHFFFAOYSA-N 2 0 362.543 3.266 20 0 FGADRP C[N@H+](Cc1ccc(N2CC[C@@]3(C[NH2+]C[C@H]3c3ccccc3)C2)nc1)C1CC1 ZINC001164619202 719048378 /nfs/dbraw/zinc/04/83/78/719048378.db2.gz BZSKMEWJJNDLGQ-JTHBVZDNSA-N 2 0 362.521 3.259 20 0 FGADRP C[C@H](C[NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2C)CC1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000655803148 719342154 /nfs/dbraw/zinc/34/21/54/719342154.db2.gz WKGDIFIUIVZSAA-TYZHSBRISA-N 2 0 351.579 3.117 20 0 FGADRP C[C@@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655806426 719342501 /nfs/dbraw/zinc/34/25/01/719342501.db2.gz VKLRYRUVIMTKGM-YQQAZPJKSA-N 2 0 351.922 3.007 20 0 FGADRP Oc1ccc(Br)c(C[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)c1 ZINC000656786143 719471148 /nfs/dbraw/zinc/47/11/48/719471148.db2.gz LEMSOKOJZYSOJY-CQSZACIVSA-N 2 0 353.304 3.366 20 0 FGADRP Cc1c(Br)cncc1C[NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000657368064 719634712 /nfs/dbraw/zinc/63/47/12/719634712.db2.gz UDZMLPCRLHZLFQ-OKILXGFUSA-N 2 0 370.335 3.132 20 0 FGADRP O=C1Nc2ccccc2S[C@@H]1CC[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000659957590 719963347 /nfs/dbraw/zinc/96/33/47/719963347.db2.gz VGQYTZABHOHIPU-QFBILLFUSA-N 2 0 359.539 3.297 20 0 FGADRP COc1cccc(SCC[NH+]2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)c1 ZINC000662281838 720409383 /nfs/dbraw/zinc/40/93/83/720409383.db2.gz PXISGUNPCOWTBM-LPHOPBHVSA-N 2 0 350.528 3.006 20 0 FGADRP CSc1ccccc1NC(=O)CC[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662294649 720411037 /nfs/dbraw/zinc/41/10/37/720411037.db2.gz DHUJXWVPRXYDLL-QGZVFWFLSA-N 2 0 361.555 3.449 20 0 FGADRP CC[NH+](CC)Cc1ccc(CNC(=O)c2cc3c(s2)CC[NH2+]C3)cc1 ZINC000662356736 720418148 /nfs/dbraw/zinc/41/81/48/720418148.db2.gz VKYFXZIFDBIEDE-UHFFFAOYSA-N 2 0 357.523 3.166 20 0 FGADRP C[C@H]([NH2+]C(C)(C)CNC(=O)c1cc2c(s1)CC[NH2+]C2)c1ccccc1 ZINC000662444525 720429429 /nfs/dbraw/zinc/42/94/29/720429429.db2.gz JXVIKSDVJITVME-AWEZNQCLSA-N 2 0 357.523 3.253 20 0 FGADRP C[N@@H+]1CCC[C@H](CNC(=O)c2cccc3c2C[NH2+]C3)[C@H]1c1cccs1 ZINC000662474068 720432107 /nfs/dbraw/zinc/43/21/07/720432107.db2.gz RYWNGVVWLARIPY-BEFAXECRSA-N 2 0 355.507 3.164 20 0 FGADRP O=C(c1cc2c(s1)CC[NH2+]C2)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000662507428 720436290 /nfs/dbraw/zinc/43/62/90/720436290.db2.gz MZHCMYXPBMUASI-UHFFFAOYSA-N 2 0 361.555 3.122 20 0 FGADRP [NH3+]Cc1cc(NC(=O)c2cc3c(s2)CC[NH2+]C3)cc(C(F)(F)F)c1 ZINC000662559187 720441437 /nfs/dbraw/zinc/44/14/37/720441437.db2.gz SZQKBDGMSDPZHU-UHFFFAOYSA-N 2 0 355.385 3.124 20 0 FGADRP CCN(C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1)[C@@H]1CC[N@H+](CC)C1 ZINC000663451460 720516286 /nfs/dbraw/zinc/51/62/86/720516286.db2.gz ROINEKKUYBCIMN-SJORKVTESA-N 2 0 364.559 3.011 20 0 FGADRP CC(C)[C@H]([NH3+])CC[NH2+][C@@H](C)CC(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000663504322 720520245 /nfs/dbraw/zinc/52/02/45/720520245.db2.gz ZOZWUBMKNFOBOQ-SWLSCSKDSA-N 2 0 361.408 3.265 20 0 FGADRP C[NH2+]CCCC(=O)N1CCC([NH2+]CC2CCC(C(C)(C)C)CC2)CC1 ZINC000663505861 720520604 /nfs/dbraw/zinc/52/06/04/720520604.db2.gz ODDBVXNRNVIRGW-UHFFFAOYSA-N 2 0 351.579 3.419 20 0 FGADRP C[C@H](C[C@H]1CCCCC[NH2+]1)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000665253174 720747422 /nfs/dbraw/zinc/74/74/22/720747422.db2.gz JCXFGWRNXWHHFN-WVSUBDOOSA-N 2 0 351.485 3.311 20 0 FGADRP FC(F)Oc1c(Br)cccc1C[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000666953755 721004842 /nfs/dbraw/zinc/00/48/42/721004842.db2.gz GZTXBRMXXFWIJA-GFCCVEGCSA-N 2 0 361.230 3.282 20 0 FGADRP [NH3+]Cc1cccc(NC(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)c1 ZINC000667729456 721164916 /nfs/dbraw/zinc/16/49/16/721164916.db2.gz HSKHMZVAHHEMOP-INIZCTEOSA-N 2 0 358.511 3.241 20 0 FGADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1cc2cc(Cl)ccc2s1 ZINC000668303106 721274404 /nfs/dbraw/zinc/27/44/04/721274404.db2.gz ZFJABFDZJVBPMO-UHFFFAOYSA-N 2 0 353.919 3.120 20 0 FGADRP C[C@@H]([NH2+]CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)c1ccsc1 ZINC000669937826 721503859 /nfs/dbraw/zinc/50/38/59/721503859.db2.gz UZLYVQZKNLEWMF-MRXNPFEDSA-N 2 0 357.523 3.311 20 0 FGADRP Fc1cccc(O[C@@H]2C[C@@H]3CN(c4[nH+]ccc5[nH]ccc54)CC[N@@H+]3C2)c1 ZINC001164899045 721513711 /nfs/dbraw/zinc/51/37/11/721513711.db2.gz JSMWLMWNXJMAQT-NVXWUHKLSA-N 2 0 352.413 3.044 20 0 FGADRP Fc1cccc(O[C@H]2C[C@H]3CN(c4[nH+]ccc5[nH]ccc54)CC[N@@H+]3C2)c1 ZINC001164899046 721513823 /nfs/dbraw/zinc/51/38/23/721513823.db2.gz JSMWLMWNXJMAQT-RDJZCZTQSA-N 2 0 352.413 3.044 20 0 FGADRP COc1ccc([C@H](C)[NH2+][C@@H]2CCN(C3CC[NH+](C)CC3)C2)cc1Cl ZINC000675876662 721777463 /nfs/dbraw/zinc/77/74/63/721777463.db2.gz YVYQCDWIDSSDCA-GOEBONIOSA-N 2 0 351.922 3.168 20 0 FGADRP CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[NH+](C[C@@H]3CCCO3)CC2)nc1 ZINC001165041622 721924435 /nfs/dbraw/zinc/92/44/35/721924435.db2.gz AKTIASNUAHLVBE-LEWJYISDSA-N 2 0 372.557 3.320 20 0 FGADRP FC(F)O[C@@H]1CCC[NH+](CCCC[N@H+]2CCC[C@H](OC(F)F)C2)C1 ZINC000679680168 722040342 /nfs/dbraw/zinc/04/03/42/722040342.db2.gz XIRWAXYIEOAIAV-OKILXGFUSA-N 2 0 356.404 3.174 20 0 FGADRP C[C@@H](NC(=O)NC(C)(C)CC[NH+]1CCCCCC1)C1CC[NH+](C)CC1 ZINC000681521336 722209350 /nfs/dbraw/zinc/20/93/50/722209350.db2.gz IKNLGAUIIFGXOL-QGZVFWFLSA-N 2 0 352.567 3.061 20 0 FGADRP COc1ccc2c(c1)[C@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)CCCS2 ZINC000682131023 722238567 /nfs/dbraw/zinc/23/85/67/722238567.db2.gz PLZDHQHEAJVNJT-GOSISDBHSA-N 2 0 363.571 3.238 20 0 FGADRP C[C@H]1C[C@H]([NH2+]CC2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)CC[N@@H+]1C ZINC000720623447 722419429 /nfs/dbraw/zinc/41/94/29/722419429.db2.gz MBFLNOAIBGVGJB-RZBXZUARSA-N 2 0 351.535 3.237 20 0 FGADRP CCC[N@H+](C)CC(=O)Nc1ccc(N2CC[NH+](CCC)CC2)c(Cl)c1 ZINC000730280473 722466741 /nfs/dbraw/zinc/46/67/41/722466741.db2.gz SHBFTEOBIKMSAK-UHFFFAOYSA-N 2 0 366.937 3.152 20 0 FGADRP C[C@H](OC[C@H](O)C[N@H+](C)C[C@H]1CCC[NH+](C)C1)c1ccc(Cl)cc1 ZINC000741385405 722545294 /nfs/dbraw/zinc/54/52/94/722545294.db2.gz FTDWORQIJDDYIO-TXPKVOOTSA-N 2 0 354.922 3.052 20 0 FGADRP C/C(=C/C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)c1cccc(Cl)c1 ZINC000749993398 722751329 /nfs/dbraw/zinc/75/13/29/722751329.db2.gz FNJRGGHWXYQBJC-ICFOKQHNSA-N 2 0 365.949 3.475 20 0 FGADRP CN(C[C@H]1CCC[N@H+](CC[C@H]2CCCC[NH+]2C)C1)C(=O)OC(C)(C)C ZINC000760832271 723096399 /nfs/dbraw/zinc/09/63/99/723096399.db2.gz WXLIGPPMHBPHRW-QZTJIDSGSA-N 2 0 353.551 3.440 20 0 FGADRP C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000762640102 723266352 /nfs/dbraw/zinc/26/63/52/723266352.db2.gz DWJLPHPKBMBPKV-QAPCUYQASA-N 2 0 351.535 3.096 20 0 FGADRP CC(C)[C@@](C)([NH2+]C[C@H](O)C[NH+]1CCCC1)c1ccc(Br)cc1 ZINC000792342126 723330783 /nfs/dbraw/zinc/33/07/83/723330783.db2.gz DXOYZKWFTBFYJZ-ZWKOTPCHSA-N 2 0 369.347 3.367 20 0 FGADRP CCC[NH+]1CCN(c2ccc(NC(=O)[C@@H](CC)[NH+](C)C)cc2Cl)CC1 ZINC000765060850 723474536 /nfs/dbraw/zinc/47/45/36/723474536.db2.gz UDVMWYDCCOHLEF-QGZVFWFLSA-N 2 0 366.937 3.151 20 0 FGADRP C[NH+](C)Cc1ccc(NC(=S)NCC(C)(C)C[NH+](C)C)cc1Cl ZINC000795018251 723557054 /nfs/dbraw/zinc/55/70/54/723557054.db2.gz OGVITZWUQXQQKK-UHFFFAOYSA-N 2 0 356.967 3.276 20 0 FGADRP C[C@H](C[NH2+]C1CCC(CNC(=O)OC(C)(C)C)CC1)C[NH+]1CCCC1 ZINC000796265280 723629298 /nfs/dbraw/zinc/62/92/98/723629298.db2.gz GNOBFBISXFDKQV-WWDZGPRUSA-N 2 0 353.551 3.391 20 0 FGADRP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCCCN2C(=O)OC(C)(C)C)[C@@H]2CCC[C@H]21 ZINC000796707471 723651178 /nfs/dbraw/zinc/65/11/78/723651178.db2.gz OBEIZURVAFQGOC-XLAORIBOSA-N 2 0 351.535 3.238 20 0 FGADRP COc1c(C)cc([C@@H](C)[NH2+]C[C@@H](C)CN2CC[NH+](C)CC2)cc1Cl ZINC000796750185 723653302 /nfs/dbraw/zinc/65/33/02/723653302.db2.gz SQHTVNYCQAXVCV-GDBMZVCRSA-N 2 0 353.938 3.191 20 0 FGADRP C[N@@H+]1CC[C@H]([NH2+]CC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)[C@@H]2CCC[C@H]21 ZINC000796753247 723653487 /nfs/dbraw/zinc/65/34/87/723653487.db2.gz CZINIIOWZWITGU-VSZNYVQBSA-N 2 0 351.535 3.096 20 0 FGADRP CC1CC[NH+](CCc2cccc(NC(=S)NCCC[NH+](C)C)c2)CC1 ZINC000769556203 723689682 /nfs/dbraw/zinc/68/96/82/723689682.db2.gz YTJNXHVCLZHKOS-UHFFFAOYSA-N 2 0 362.587 3.199 20 0 FGADRP Cc1cc(C[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H]2CO)cc(Cl)n1 ZINC000797601535 723840129 /nfs/dbraw/zinc/84/01/29/723840129.db2.gz VLLQWPZHIUEUFM-LJQANCHMSA-N 2 0 359.901 3.290 20 0 FGADRP CC(C)(C)OC(=O)N1CC(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)C1 ZINC000798272755 723920309 /nfs/dbraw/zinc/92/03/09/723920309.db2.gz DPHQOBUSLMLROH-UHFFFAOYSA-N 2 0 351.535 3.240 20 0 FGADRP C[NH+](C)CCOc1cccc(C[NH2+][C@@H]2CC[C@H]3SCCS[C@H]23)c1 ZINC000775379010 723986679 /nfs/dbraw/zinc/98/66/79/723986679.db2.gz PUOJAPOBURYTNX-KZNAEPCWSA-N 2 0 352.569 3.096 20 0 FGADRP C[C@H](NC(=O)C[N@@H+]1CCCC2(CC[NH+](C)CC2)C1)c1ccccc1Cl ZINC000799178328 723995361 /nfs/dbraw/zinc/99/53/61/723995361.db2.gz MFMJTCGIDIHKMT-INIZCTEOSA-N 2 0 363.933 3.325 20 0 FGADRP C[NH+]1CCC2(CCC[N@H+](C[C@@H](O)COCc3ccccc3Cl)C2)CC1 ZINC000799178101 723995536 /nfs/dbraw/zinc/99/55/36/723995536.db2.gz KPVMDDIXJYNQMK-GOSISDBHSA-N 2 0 366.933 3.025 20 0 FGADRP CC(C)[C@H](C(=O)OC[C@]1(F)CC[N@@H+]([C@H](C)c2ccccc2)C1)[NH+](C)C ZINC000802146268 724361387 /nfs/dbraw/zinc/36/13/87/724361387.db2.gz RFBHMICCPDWMPI-POAQFYNOSA-N 2 0 350.478 3.291 20 0 FGADRP C[C@@H]([NH2+]CCC[NH+]1C[C@H](C)C[C@@H](C)C1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000788540394 725071575 /nfs/dbraw/zinc/07/15/75/725071575.db2.gz QPTCDZSQRDGIBA-BRWVUGGUSA-N 2 0 353.551 3.199 20 0 FGADRP C[NH+]1CCC2(CCC[N@H+](Cc3cc4c(cc3Cl)OCCO4)C2)CC1 ZINC000808756486 725216236 /nfs/dbraw/zinc/21/62/36/725216236.db2.gz NOPPEFWTPLYCTF-UHFFFAOYSA-N 2 0 350.890 3.419 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1)c1ccsc1 ZINC000810115595 725289661 /nfs/dbraw/zinc/28/96/61/725289661.db2.gz LCANAGMLYKYQDB-QFBILLFUSA-N 2 0 369.550 3.460 20 0 FGADRP C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC000810165009 725294119 /nfs/dbraw/zinc/29/41/19/725294119.db2.gz JKVSFTYPRGUIND-CLWJZODNSA-N 2 0 353.526 3.063 20 0 FGADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)CC[C@@H]2C)C1 ZINC000812717853 726806100 /nfs/dbraw/zinc/80/61/00/726806100.db2.gz LVIPJMJRTLYSHG-KSZLIROESA-N 2 0 353.551 3.344 20 0 FGADRP C[N@@H+]1CCC[C@@]2(CC[NH+](C[C@@H](O)Cc3ccc(C(F)(F)F)cc3)C2)C1 ZINC000815145068 727045110 /nfs/dbraw/zinc/04/51/10/727045110.db2.gz VFSNRRKNOMLHQO-ZWKOTPCHSA-N 2 0 356.432 3.027 20 0 FGADRP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCC2(CCN2C(=O)OC(C)(C)C)CC1 ZINC000817286855 727236230 /nfs/dbraw/zinc/23/62/30/727236230.db2.gz NFQUVPYNZYSQCY-QGZVFWFLSA-N 2 0 351.535 3.336 20 0 FGADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C[C@H](O)c1cccc(Br)c1 ZINC000817932758 727288441 /nfs/dbraw/zinc/28/84/41/727288441.db2.gz XYNQXEQLSDGGHK-COXVUDFISA-N 2 0 355.320 3.383 20 0 FGADRP O[C@@H](C[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ccc(Cl)cc1 ZINC000817931130 727288470 /nfs/dbraw/zinc/28/84/70/727288470.db2.gz IJZIKWCTOXIXHD-WSTZPKSXSA-N 2 0 358.869 3.219 20 0 FGADRP CCN1CC[NH+](CCCC[NH2+]C[C@H](O)c2ccc(Cl)cc2Cl)CC1 ZINC000819062291 727343302 /nfs/dbraw/zinc/34/33/02/727343302.db2.gz PGXCHAQIRFLENR-SFHVURJKSA-N 2 0 374.356 3.034 20 0 FGADRP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]C[C@H](O)COc2ccc(Cl)c(Cl)c2)C1 ZINC000819133367 727350880 /nfs/dbraw/zinc/35/08/80/727350880.db2.gz OWTYGIPPRQHRKG-MCIONIFRSA-N 2 0 361.313 3.196 20 0 FGADRP CC(C)C[N@@H+]1CC[C@H](C[NH2+]C[C@@H](O)c2cccc(Br)c2)C1 ZINC000819151961 727352978 /nfs/dbraw/zinc/35/29/78/727352978.db2.gz IXFFHESQJFSWBZ-RHSMWYFYSA-N 2 0 355.320 3.050 20 0 FGADRP C[NH+](C)CCc1ccc(C[NH2+]C[C@@H](O)c2ccc(Cl)c(F)c2)cc1 ZINC000819251898 727361646 /nfs/dbraw/zinc/36/16/46/727361646.db2.gz MEALZBPFEKLNFQ-LJQANCHMSA-N 2 0 350.865 3.406 20 0 FGADRP CC(C)(C[NH2+]C[C@@H](O)c1ccccc1Br)C[NH+]1CCCC1 ZINC000819260928 727362122 /nfs/dbraw/zinc/36/21/22/727362122.db2.gz XLCXTDWFOGLWLZ-MRXNPFEDSA-N 2 0 355.320 3.194 20 0 FGADRP CSC1(C[NH2+]C[C@@H](O)c2ccc(C(F)(F)F)cc2)CC[NH+](C)CC1 ZINC000819321250 727366906 /nfs/dbraw/zinc/36/69/06/727366906.db2.gz KDSUJNILDOYLRK-OAHLLOKOSA-N 2 0 362.461 3.156 20 0 FGADRP O[C@H](C[NH2+]C1CC[NH+](C2CCC2)CC1)c1ccc(OC(F)(F)F)cc1 ZINC000819354527 727370554 /nfs/dbraw/zinc/37/05/54/727370554.db2.gz KTYXHAADNFGIQK-QGZVFWFLSA-N 2 0 358.404 3.225 20 0 FGADRP C[C@@H]1C[C@@H](C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)CCN1C(=O)OC(C)(C)C ZINC000823650043 729295983 /nfs/dbraw/zinc/29/59/83/729295983.db2.gz ZUWDLWYWLVGIJQ-IKGGRYGDSA-N 2 0 351.535 3.096 20 0 FGADRP CCCC[NH+]1CCC([NH2+]C[C@@]23C[C@@H]2CN(C(=O)OC(C)(C)C)C3)CC1 ZINC000823716775 729300636 /nfs/dbraw/zinc/30/06/36/729300636.db2.gz QIQOSWPBESAIAJ-OXQOHEQNSA-N 2 0 351.535 3.098 20 0 FGADRP CC(C)(C)OC(=O)NC[C@@H]1CC[C@H]([NH2+]C2CC[NH+](CC3CC3)CC2)C1 ZINC000825262483 729376104 /nfs/dbraw/zinc/37/61/04/729376104.db2.gz IKLGMBZJLOLMAW-AEFFLSMTSA-N 2 0 351.535 3.144 20 0 FGADRP CC(C)C[NH+]1CCC([NH2+]C[C@H](O)c2ccccc2Br)CC1 ZINC000825343001 729379548 /nfs/dbraw/zinc/37/95/48/729379548.db2.gz HHDWAYLNLTVXPL-KRWDZBQOSA-N 2 0 355.320 3.193 20 0 FGADRP C[N@H+](CCN1CC[NH+](C[C@@]2(C)CC2(Cl)Cl)CC1)Cc1ccccc1 ZINC000827777890 729434687 /nfs/dbraw/zinc/43/46/87/729434687.db2.gz JURKOIUDSQSLEW-GOSISDBHSA-N 2 0 370.368 3.320 20 0 FGADRP C[N@@H+]1CC[C@@H](CNC(=O)CC[C@@H]2CCC[NH2+]2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000831480535 729645277 /nfs/dbraw/zinc/64/52/77/729645277.db2.gz DCMCVDVMIIPHLR-YZVOILCLSA-N 2 0 367.896 3.120 20 0 FGADRP CCC[NH+]1CCC([NH2+]C[C@@](C)(O)c2ccc(Br)cc2F)CC1 ZINC000834353107 729795797 /nfs/dbraw/zinc/79/57/97/729795797.db2.gz CCSAYEVNRNFXDW-QGZVFWFLSA-N 2 0 373.310 3.260 20 0 FGADRP C[C@H]([NH2+]C1CC[NH+](C2CCC2)CC1)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000834545316 729812236 /nfs/dbraw/zinc/81/22/36/729812236.db2.gz YBSUPRZDDNIHDK-YJBOKZPZSA-N 2 0 351.535 3.381 20 0 FGADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@H](C)[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000834566643 729815079 /nfs/dbraw/zinc/81/50/79/729815079.db2.gz PTLVZAFTUVTONT-SQNIBIBYSA-N 2 0 353.551 3.484 20 0 FGADRP CSC1(C[NH2+][C@H](C)[C@H]2CCCN2C(=O)OC(C)(C)C)CC[NH+](C)CC1 ZINC000834806278 729835688 /nfs/dbraw/zinc/83/56/88/729835688.db2.gz AGQUIILQOKDDLQ-HZPDHXFCSA-N 2 0 371.591 3.191 20 0 FGADRP C[N@H+](Cc1cc(Br)c2c(c1)OCCCO2)C1CCC([NH3+])CC1 ZINC000843056073 730574609 /nfs/dbraw/zinc/57/46/09/730574609.db2.gz XILQXEJEZZHJKA-UHFFFAOYSA-N 2 0 369.303 3.312 20 0 FGADRP Cc1ccc(S(=O)(=O)[C@H]2CCCC[C@H]2[NH2+]CCCCCC[NH3+])cc1 ZINC000843341994 730609263 /nfs/dbraw/zinc/60/92/63/730609263.db2.gz MMHVGKUWGZSNGU-MOPGFXCFSA-N 2 0 352.544 3.189 20 0 FGADRP C[C@H]1C[C@@H]([NH2+]C2CCC(C[NH+](C)C)CC2)CN(C(=O)OC(C)(C)C)C1 ZINC000843401708 730615296 /nfs/dbraw/zinc/61/52/96/730615296.db2.gz KBKPWEBYUIRNME-FCCDEINASA-N 2 0 353.551 3.342 20 0 FGADRP CC[NH+]1CCC(CC[NH2+]C2CC(CCNC(=O)OC(C)(C)C)C2)CC1 ZINC000845939720 730910768 /nfs/dbraw/zinc/91/07/68/730910768.db2.gz BKSKNFWIKMKNFC-UHFFFAOYSA-N 2 0 353.551 3.391 20 0 FGADRP [NH2+]=C(NCC1(C(F)(F)F)CC1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000849052573 731224743 /nfs/dbraw/zinc/22/47/43/731224743.db2.gz MXSCBKPJVHPHEL-UHFFFAOYSA-N 2 0 354.420 3.107 20 0 FGADRP C[N@H+](Cc1ccccc1)[C@H](CNC(=[NH2+])NCCc1cccs1)C1CC1 ZINC000849092367 731228088 /nfs/dbraw/zinc/22/80/88/731228088.db2.gz ADGAWPGDUUVNJL-LJQANCHMSA-N 2 0 356.539 3.315 20 0 FGADRP C[C@@]1(CNC(=[NH2+])NC2CC[NH+](Cc3ccccc3)CC2)CC1(Cl)Cl ZINC000849114630 731230604 /nfs/dbraw/zinc/23/06/04/731230604.db2.gz OMEMCCIZFXQXJV-KRWDZBQOSA-N 2 0 369.340 3.349 20 0 FGADRP CC(C)[C@@H](CC[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21)NC(=O)OC(C)(C)C ZINC000850566711 731374361 /nfs/dbraw/zinc/37/43/61/731374361.db2.gz QRFGFVQATXCHQE-TVFCKZIOSA-N 2 0 353.551 3.388 20 0 FGADRP C[C@@H](CC(=O)Nc1cccnc1Cl)[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000850583256 731376193 /nfs/dbraw/zinc/37/61/93/731376193.db2.gz KIOFPACHQRWFJQ-AWEZNQCLSA-N 2 0 364.921 3.164 20 0 FGADRP CC[C@@H]([NH2+]C)c1nc(-c2ccc(N3CCC[N@H+](C)CC3)c(Cl)c2)no1 ZINC000854147012 731798423 /nfs/dbraw/zinc/79/84/23/731798423.db2.gz PWJCRIHYXIJSBC-OAHLLOKOSA-N 2 0 363.893 3.202 20 0 FGADRP CC(C)[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](CCc3cncs3)C2)ccn1 ZINC000856607015 732040884 /nfs/dbraw/zinc/04/08/84/732040884.db2.gz SMUSVUKQWXCRTG-GOSISDBHSA-N 2 0 360.527 3.074 20 0 FGADRP C[N@@H+]1CCCC[C@H](C[NH2+]C2CCC(CNC(=O)OC(C)(C)C)CC2)C1 ZINC000858245275 732196356 /nfs/dbraw/zinc/19/63/56/732196356.db2.gz GANJOVQTHCVLPI-LXPRWKDFSA-N 2 0 353.551 3.391 20 0 FGADRP C[NH+](CC[Si](C)(C)CC[N@@H+](C)[C@H]1CC[C@H](O)CC1)[C@H]1CC[C@H](O)CC1 ZINC000859270446 732301422 /nfs/dbraw/zinc/30/14/22/732301422.db2.gz QSEOHZGTHLTSAE-UBBSCCEASA-N 2 0 370.654 3.165 20 0 FGADRP C[NH+](C)C1CCC([NH2+]C[C@H](CC(F)(F)F)NC(=O)OC(C)(C)C)CC1 ZINC000865606164 733236071 /nfs/dbraw/zinc/23/60/71/733236071.db2.gz RLTVCWCVZISULT-MOKVOYLWSA-N 2 0 367.456 3.295 20 0 FGADRP C[N@@H+]1CC[C@H](CNC(=O)[C@H]2CC[C@H]([NH3+])CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000870911037 733901587 /nfs/dbraw/zinc/90/15/87/733901587.db2.gz PYUJYBWPUIILRG-SCFUHWHPSA-N 2 0 367.896 3.106 20 0 FGADRP CC[NH+](CC)CCC[C@@H](C)NC(=O)[C@H]([NH3+])c1cccc(Br)c1 ZINC000870914460 733901760 /nfs/dbraw/zinc/90/17/60/733901760.db2.gz SICITPNHKYAUIK-CZUORRHYSA-N 2 0 370.335 3.076 20 0 FGADRP C[NH+](C)C1(C)CCC([NH2+]C[C@@H](O)c2cccc(Br)c2)CC1 ZINC000872229193 735605699 /nfs/dbraw/zinc/60/56/99/735605699.db2.gz OQMLBJSBGCQMDB-AQFXKWCLSA-N 2 0 355.320 3.335 20 0 FGADRP O=C(Nc1cccc(C[NH2+]Cc2cc3c(s2)CC[NH2+]C3)c1)C1CCC1 ZINC000873211160 735738415 /nfs/dbraw/zinc/73/84/15/735738415.db2.gz IITZPWMOYIKOBX-UHFFFAOYSA-N 2 0 355.507 3.422 20 0 FGADRP [NH3+]Cc1cn(-c2cccc(C[NH2+][C@@H]3CCc4cc(Cl)ccc43)c2)nn1 ZINC000873247348 735743352 /nfs/dbraw/zinc/74/33/52/735743352.db2.gz LIGJKFPNEWZWCJ-LJQANCHMSA-N 2 0 353.857 3.157 20 0 FGADRP CC[C@H]([NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2)c1ccc(OC(F)F)cc1 ZINC000873290206 735747080 /nfs/dbraw/zinc/74/70/80/735747080.db2.gz OVHYBUZZPYRBJX-SJORKVTESA-N 2 0 354.441 3.487 20 0 FGADRP C[C@H]([NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2)c1cccc(Br)c1 ZINC000873290046 735747167 /nfs/dbraw/zinc/74/71/67/735747167.db2.gz NNPSSLDYIAKVQF-XJKSGUPXSA-N 2 0 353.304 3.258 20 0 FGADRP Brc1cccc2c1CC[C@@H]2[NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873292213 735747187 /nfs/dbraw/zinc/74/71/87/735747187.db2.gz PNAISQMLTCIGGY-DYVFJYSZSA-N 2 0 365.315 3.185 20 0 FGADRP COc1ccc(C[NH+]2CCC(C[NH2+]Cc3ccc(Cl)nn3)CC2)cc1 ZINC000876989906 736171421 /nfs/dbraw/zinc/17/14/21/736171421.db2.gz KBFBGXYUJLSKCP-UHFFFAOYSA-N 2 0 360.889 3.140 20 0 FGADRP OC[C@H]1CCC[N@@H+]1CCCC[NH2+]Cc1cc2nc(Cl)ccc2s1 ZINC000877040265 736178724 /nfs/dbraw/zinc/17/87/24/736178724.db2.gz BPTNSLXKDBJCOF-CYBMUJFWSA-N 2 0 353.919 3.276 20 0 FGADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1cc2nc(Cl)ccc2s1 ZINC000877405116 736215946 /nfs/dbraw/zinc/21/59/46/736215946.db2.gz IJGDZUMRYCZZGQ-ZDUSSCGKSA-N 2 0 352.935 3.065 20 0 FGADRP C[N@@H+]1CC[C@]2(CC[NH+](C[C@@H]3CCCCN(C(=O)OC(C)(C)C)C3)C2)C1 ZINC000877546549 736682084 /nfs/dbraw/zinc/68/20/84/736682084.db2.gz UAURXIULXZZHDJ-PXNSSMCTSA-N 2 0 351.535 3.051 20 0 FGADRP C[C@H](C[NH+]1CCC2(CC[NH+](C)CC2)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000877684724 736704454 /nfs/dbraw/zinc/70/44/54/736704454.db2.gz UUZMVWFOWCLSPX-QGZVFWFLSA-N 2 0 364.555 3.001 20 0 FGADRP C(CC1CC[NH+](C[C@H]2CC3(CO2)CCOCC3)CC1)C[NH+]1CCCC1 ZINC000878292728 736801918 /nfs/dbraw/zinc/80/19/18/736801918.db2.gz AGAUXIONPIGQKX-HXUWFJFHSA-N 2 0 350.547 3.160 20 0 FGADRP Cc1cc(NC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)cc(C)c1Cl ZINC000879487752 736996128 /nfs/dbraw/zinc/99/61/28/736996128.db2.gz IFXBMEWKDPQVME-HZPDHXFCSA-N 2 0 366.937 3.160 20 0 FGADRP C[C@H]([NH2+]C[C@H](O)C(F)(F)C(F)(F)F)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000883361321 737558226 /nfs/dbraw/zinc/55/82/26/737558226.db2.gz ZQBXVYRYPBEVQE-CFVMTHIKSA-N 2 0 366.374 3.045 20 0 FGADRP CC(C)[C@H]([NH3+])C(C)(C)C(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000884226548 737645158 /nfs/dbraw/zinc/64/51/58/737645158.db2.gz WGHBRFDJRBJJMI-UAGQMJEPSA-N 2 0 351.560 3.257 20 0 FGADRP CC1([NH+]2CCCC2)CCC([NH2+]C[C@@H]2CCC3(CCOCC3)CO2)CC1 ZINC000886650325 739278638 /nfs/dbraw/zinc/27/86/38/739278638.db2.gz ULKMZZSHPZJSNM-GPJFCIFZSA-N 2 0 350.547 3.349 20 0 FGADRP C[C@@H]1C[C@]2(CC[C@@H](C[NH2+]C3CC[NH+]([C@H]4CCC[C@@H](C)C4)CC3)O2)CO1 ZINC000886761963 739293964 /nfs/dbraw/zinc/29/39/64/739293964.db2.gz OFIVFKCPPNOIQA-CYPWRKRPSA-N 2 0 350.547 3.346 20 0 FGADRP CN(CCCCCC[NH3+])C(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000891454266 739904202 /nfs/dbraw/zinc/90/42/02/739904202.db2.gz ZZVBGXALENFYJS-UHFFFAOYSA-N 2 0 352.567 3.192 20 0 FGADRP C[C@H]1CN(Cc2ccc(C(F)F)c(F)c2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000892153148 739971789 /nfs/dbraw/zinc/97/17/89/739971789.db2.gz MGGXCYOWYYITND-KBXCAEBGSA-N 2 0 355.448 3.221 20 0 FGADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@H](C)C[NH+]2CCCC2)C[C@H]1C(F)(F)F ZINC000892622443 740024442 /nfs/dbraw/zinc/02/44/42/740024442.db2.gz PZZRVGGRVDMLST-CAOSSQGBSA-N 2 0 364.452 3.218 20 0 FGADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C2CCC([NH+](C)C)CC2)C[C@@H]1C(F)(F)F ZINC000894979747 742359836 /nfs/dbraw/zinc/35/98/36/742359836.db2.gz ZPPLTYZDRMBOCE-WZCNAGQFSA-N 2 0 364.452 3.359 20 0 FGADRP [NH3+]CCCC[C@@H]([NH2+]CCC(=O)N1CCCCC1)c1ccc(F)cc1F ZINC000902315808 743731017 /nfs/dbraw/zinc/73/10/17/743731017.db2.gz NHSACPLEJROKMZ-GOSISDBHSA-N 2 0 353.457 3.127 20 0 FGADRP CS(=O)(=O)[C@@H]1CCC[C@H]([NH2+][C@@H](CCCC[NH3+])c2ccc(F)cc2F)C1 ZINC000902345539 743734808 /nfs/dbraw/zinc/73/48/08/743734808.db2.gz DAQGXHAPWNKLRW-DAYGRLMNSA-N 2 0 374.497 3.080 20 0 FGADRP C[C@@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[NH2+][C@H]1C[C@H](C[NH3+])C1 ZINC000902491690 743749472 /nfs/dbraw/zinc/74/94/72/743749472.db2.gz YKGZMMVNDOFWSZ-NHCYSSNCSA-N 2 0 363.811 3.403 20 0 FGADRP [NH3+][C@@H]1CCO[C@@H](C2CC[NH+](C[C@@H]3[C@@H](c4ccccc4)C3(F)F)CC2)C1 ZINC000903460184 743853178 /nfs/dbraw/zinc/85/31/78/743853178.db2.gz ZJSOBZAGBCVSLS-NCXUSEDFSA-N 2 0 350.453 3.254 20 0 FGADRP C[N@@H+](Cc1ccc(Br)s1)C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903718676 743879089 /nfs/dbraw/zinc/87/90/89/743879089.db2.gz QNYGESIMAYPOAQ-LBPRGKRZSA-N 2 0 359.333 3.101 20 0 FGADRP C[C@H](Cc1ccc(Br)c(F)c1)[NH2+]C[C@@H]1C[NH2+]CCC1(F)F ZINC000903956953 743905263 /nfs/dbraw/zinc/90/52/63/743905263.db2.gz NYFAJTNCAADUCO-PWSUYJOCSA-N 2 0 365.237 3.354 20 0 FGADRP [NH3+]CC1(c2ccccc2)CC[NH+](Cc2cc(-n3ccnc3)cs2)CC1 ZINC000904459856 743956720 /nfs/dbraw/zinc/95/67/20/743956720.db2.gz YURIIHHAFBCMNV-UHFFFAOYSA-N 2 0 352.507 3.426 20 0 FGADRP C[C@](O)(C[NH2+][C@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1)C(F)(F)F ZINC000905709352 744045737 /nfs/dbraw/zinc/04/57/37/744045737.db2.gz LNSVMNNEOVIHIJ-OWSLCNJRSA-N 2 0 356.432 3.190 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=S)NC[C@@H]1CCC[N@@H+]1CC)c1ccsc1 ZINC000915126712 757884007 /nfs/dbraw/zinc/88/40/07/757884007.db2.gz LLKHGRBEYYEXJH-IRXDYDNUSA-N 2 0 368.616 3.079 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=S)NCCC[NH+](C)C)c1ccccc1Cl ZINC000916546162 758096039 /nfs/dbraw/zinc/09/60/39/758096039.db2.gz UNRQPVGFQBIWQO-KRWDZBQOSA-N 2 0 370.994 3.139 20 0 FGADRP CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3cc(C)cnc3Cl)C2)[C@@H]1C(C)C ZINC000922395584 758913938 /nfs/dbraw/zinc/91/39/38/758913938.db2.gz UASPZCAGIAUSMY-VXNCWWDNSA-N 2 0 351.922 3.003 20 0 FGADRP FC(F)(F)CCN1CCC([NH2+]CC[C@H]2CC[C@@H](C(F)(F)F)O2)CC1 ZINC000922675704 758975274 /nfs/dbraw/zinc/97/52/74/758975274.db2.gz FCRPFANTUVHXPT-OLZOCXBDSA-N 2 0 362.358 3.493 20 0 FGADRP Clc1ccc(SC2CC[NH+](C[C@H]3CC4(C[NH2+]C4)CO3)CC2)cc1 ZINC000923371113 759106948 /nfs/dbraw/zinc/10/69/48/759106948.db2.gz PBDBPAOFVCWSJZ-OAHLLOKOSA-N 2 0 352.931 3.275 20 0 FGADRP C[C@H]1CC2(C[N@@H+]1C[C@H](O)Cc1ccccc1C(F)(F)F)CC[NH2+]CC2 ZINC000923382564 759108837 /nfs/dbraw/zinc/10/88/37/759108837.db2.gz CXKLHDQCDRYLIX-GOEBONIOSA-N 2 0 356.432 3.073 20 0 FGADRP [NH3+]CC[C@H]1CC[N@H+](CC(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000923489152 759130853 /nfs/dbraw/zinc/13/08/53/759130853.db2.gz CEXJQFOSJHDXQY-SUMWQHHRSA-N 2 0 370.324 3.328 20 0 FGADRP C[C@@H](C[C@H]1CCC(=O)N1)[NH2+]CC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000924993655 759428880 /nfs/dbraw/zinc/42/88/80/759428880.db2.gz QNPPXAOIHHAGJN-MAUKXSAKSA-N 2 0 363.933 3.199 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H](NC2CC[NH+](CCC(C)C)CC2)[C@@H](C)C1 ZINC000925078383 759444094 /nfs/dbraw/zinc/44/40/94/759444094.db2.gz LNEMEGFKNNMYOV-FPOVZHCZSA-N 2 0 353.595 3.224 20 0 FGADRP CC[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CCOC)Oc1ccccc1F ZINC000925217326 759463675 /nfs/dbraw/zinc/46/36/75/759463675.db2.gz XYQWNHXBDNITHW-FBVQUNGASA-N 2 0 350.478 3.215 20 0 FGADRP C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1[NH2+]C1CCN(c3nc4ccccc4s3)CC1)[NH2+]2 ZINC000925587358 759510125 /nfs/dbraw/zinc/51/01/25/759510125.db2.gz XTZUJQORCPOBCY-VUNQQRPYSA-N 2 0 356.539 3.384 20 0 FGADRP Cc1c(Br)cccc1CC[NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000925831335 759554201 /nfs/dbraw/zinc/55/42/01/759554201.db2.gz DEGRJLMUSPNYLG-RYQLBKOJSA-N 2 0 367.331 3.047 20 0 FGADRP CCS(=O)(=O)c1ccc(C[NH2+][C@H](C)c2cccc(C[NH+](C)C)c2)s1 ZINC000926325810 759716783 /nfs/dbraw/zinc/71/67/83/759716783.db2.gz NMTKPINNHMHIEI-CQSZACIVSA-N 2 0 366.552 3.454 20 0 FGADRP CC1([NH+]2CCC2)CCC([NH2+][C@H]2CCS(=O)(=O)c3ccc(F)cc32)CC1 ZINC000927036535 759878956 /nfs/dbraw/zinc/87/89/56/759878956.db2.gz CQOOPEVBDHXYNM-RMXPPQQLSA-N 2 0 366.502 3.041 20 0 FGADRP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+][C@@H]2C[C@@H](O)C23CCOCC3)CC1 ZINC000927157828 759909116 /nfs/dbraw/zinc/90/91/16/759909116.db2.gz XVEVXEBVZMDAAM-QZTJIDSGSA-N 2 0 352.563 3.185 20 0 FGADRP Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC000931172237 760794548 /nfs/dbraw/zinc/79/45/48/760794548.db2.gz IUSRAFZOUSMTKQ-IBGZPJMESA-N 2 0 361.555 3.355 20 0 FGADRP C[C@@H]1[C@H](C(=O)N2CCC([C@H]3CCC[NH+](C/C=C\Cl)C3)CC2)CC[N@@H+]1C ZINC000961373272 762746958 /nfs/dbraw/zinc/74/69/58/762746958.db2.gz NMFNAEPXAOTCIG-WHBMQHHPSA-N 2 0 367.965 3.030 20 0 FGADRP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]([NH+](C)Cc3ccc(Cl)s3)C2)CC[N@@H+]1C ZINC000971566224 762914186 /nfs/dbraw/zinc/91/41/86/762914186.db2.gz BXTAEDNSJOAOOU-VNQPRFMTSA-N 2 0 369.962 3.165 20 0 FGADRP CC[C@@H]1[C@@H](C(=O)N2CCC([NH2+]Cc3ccc(Cl)cc3)CC2)CC[N@@H+]1C ZINC000996601969 765019924 /nfs/dbraw/zinc/01/99/24/765019924.db2.gz CRVLKAVXVSMTGF-RBUKOAKNSA-N 2 0 363.933 3.151 20 0 FGADRP CC[C@@H]1[C@@H](C(=O)NC2CC[NH+](Cc3ccccc3Cl)CC2)CC[N@@H+]1C ZINC001002859224 765349187 /nfs/dbraw/zinc/34/91/87/765349187.db2.gz LHYHJQKJCUBRHT-PKOBYXMFSA-N 2 0 363.933 3.151 20 0 FGADRP C[C@H]([NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1)c1cccc(Cl)c1F ZINC001020171353 765865952 /nfs/dbraw/zinc/86/59/52/765865952.db2.gz YNMGUDORHUDRDU-HCZIRCDUSA-N 2 0 367.896 3.117 20 0 FGADRP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCC[NH+](Cc3ccccc3Cl)C2)CC[N@@H+]1C ZINC001023377298 766036484 /nfs/dbraw/zinc/03/64/84/766036484.db2.gz JIQVTAKPYOXCLW-SOLBZPMBSA-N 2 0 363.933 3.008 20 0 FGADRP C[C@@H]1[C@H](C(=O)N2CCC[C@H](C[NH2+]Cc3sccc3Cl)C2)CC[N@@H+]1C ZINC001023994047 766047733 /nfs/dbraw/zinc/04/77/33/766047733.db2.gz XNDPNFNDYOVERZ-RBSFLKMASA-N 2 0 369.962 3.070 20 0 FGADRP Cc1cc(C[NH+]2CCCC[C@H]2CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c(C)s1 ZINC001024446582 766053707 /nfs/dbraw/zinc/05/37/07/766053707.db2.gz GLCCXEBFFVBGSV-AYOQOUSVSA-N 2 0 363.571 3.176 20 0 FGADRP C[C@@H]1[C@H](C(=O)N2CCCC[C@@H]2C[NH2+]Cc2ccc(Cl)s2)CC[N@@H+]1C ZINC001024967431 766064434 /nfs/dbraw/zinc/06/44/34/766064434.db2.gz OCTRFFYXHGAUJW-IIAWOOMASA-N 2 0 369.962 3.212 20 0 FGADRP Cc1nccn1CCC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000779021876 724381336 /nfs/dbraw/zinc/38/13/36/724381336.db2.gz ZKKXFNJUXXKEDG-DOTOQJQBSA-N 2 0 350.507 3.207 20 0 FGADRP C[C@@H](CNC(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1)[NH+]1CCC(C)CC1 ZINC000072044379 221399023 /nfs/dbraw/zinc/39/90/23/221399023.db2.gz YXGXLTCGEJTIIL-PZJWPPBQSA-N 2 0 372.557 3.243 20 0 FGADRP C[N@@H+]1CC[C@@H](C[NH2+]C2CCN(CC(F)(F)F)CC2)[C@@H]1c1ccccc1 ZINC000376161034 257448803 /nfs/dbraw/zinc/44/88/03/257448803.db2.gz GDOONDMIUUDJIM-WMZOPIPTSA-N 2 0 355.448 3.296 20 0 FGADRP C[C@H](C[NH2+][C@H](C)c1ccc(Br)c(F)c1)CN1CC[NH+](C)CC1 ZINC000131442954 494620606 /nfs/dbraw/zinc/62/06/06/494620606.db2.gz XXFJPKCCFPKDDM-ZIAGYGMSSA-N 2 0 372.326 3.122 20 0 FGADRP [NH3+][C@@H](CCC(=O)NC1CC[NH+](CCc2ccccc2)CC1)c1ccccc1 ZINC000573602671 505576275 /nfs/dbraw/zinc/57/62/75/505576275.db2.gz SQFYMVKSHAQSOC-QFIPXVFZSA-N 2 0 365.521 3.290 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1coc(-c2ccccc2)n1 ZINC000576865176 505612553 /nfs/dbraw/zinc/61/25/53/505612553.db2.gz ZTHVYZMESKQJDF-FQEVSTJZSA-N 2 0 356.514 3.190 20 0 FGADRP CC[NH+]1CCN(c2ccc(NC(=O)[C@@H]([NH3+])CC3CCCCC3)c(C)c2)CC1 ZINC000573910788 505649383 /nfs/dbraw/zinc/64/93/83/505649383.db2.gz YHNJRGRELJQYLC-FQEVSTJZSA-N 2 0 372.557 3.373 20 0 FGADRP Clc1ccc(-c2n[nH]cc2C[N@@H+]2CCC[C@H](N3CCOCC3)CC2)cc1 ZINC000568253089 505652185 /nfs/dbraw/zinc/65/21/85/505652185.db2.gz DQGILEQOYOHQJJ-IBGZPJMESA-N 2 0 374.916 3.417 20 0 FGADRP CC(=O)c1ccccc1NC(=O)CCC[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000571101864 505653752 /nfs/dbraw/zinc/65/37/52/505653752.db2.gz OSPPOOLRUIZIAK-PXNSSMCTSA-N 2 0 357.498 3.024 20 0 FGADRP Cc1cccc(-c2n[nH]cc2C[NH+]2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)c1 ZINC000571146816 505664871 /nfs/dbraw/zinc/66/48/71/505664871.db2.gz NWAIMKDRKQUVIA-WOJBJXKFSA-N 2 0 354.498 3.103 20 0 FGADRP CN(C(=O)C[NH+]1CCC(C[NH+]2CCCC2)CC1)[C@H]1CCCc2ccccc21 ZINC000047972710 493768411 /nfs/dbraw/zinc/76/84/11/493768411.db2.gz LSDTWZBXKLZGAZ-QFIPXVFZSA-N 2 0 369.553 3.330 20 0 FGADRP CC[NH+]1CCC(NC(=O)NCc2ccccc2C[NH+]2CCC(C)CC2)CC1 ZINC000047978708 493769143 /nfs/dbraw/zinc/76/91/43/493769143.db2.gz KVLPSTCWVBSMPJ-UHFFFAOYSA-N 2 0 372.557 3.202 20 0 FGADRP CCOC(=O)C1([C@@H](C)[NH2+][C@@H](C)c2ccccc2OC(C)C)CC[NH2+]CC1 ZINC000568381578 505680576 /nfs/dbraw/zinc/68/05/76/505680576.db2.gz RANBQLFCHZHKNP-DLBZAZTESA-N 2 0 362.514 3.446 20 0 FGADRP O=C(c1cccc(C[NH+]2CCCC2)c1)N1CCC([NH+]2CCCCC2)CC1 ZINC000058263329 493839919 /nfs/dbraw/zinc/83/99/19/493839919.db2.gz AAZWARBZBGMKRJ-UHFFFAOYSA-N 2 0 355.526 3.373 20 0 FGADRP Ic1ccc(C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000568395130 505684483 /nfs/dbraw/zinc/68/44/83/505684483.db2.gz STUTUPYQFOCGGY-CABCVRRESA-N 2 0 370.278 3.113 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(C)cc1F ZINC000076331190 493866375 /nfs/dbraw/zinc/86/63/75/493866375.db2.gz IGRYYDOGJFVIII-INIZCTEOSA-N 2 0 350.482 3.014 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(F)cc1C ZINC000076332013 493866872 /nfs/dbraw/zinc/86/68/72/493866872.db2.gz QMIXJWDWEQQBAX-KRWDZBQOSA-N 2 0 350.482 3.014 20 0 FGADRP CCc1ccc(C[NH2+]Cc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)cc1 ZINC000076331147 493867158 /nfs/dbraw/zinc/86/71/58/493867158.db2.gz BZBIYZMWVKCJDD-UHFFFAOYSA-N 2 0 365.521 3.364 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1cc(Cl)ccc1F ZINC000076332347 493867481 /nfs/dbraw/zinc/86/74/81/493867481.db2.gz JRJZXLMJZSEFDG-HNNXBMFYSA-N 2 0 370.900 3.359 20 0 FGADRP CC[NH+](CC)C[C@@H]1CCN(C(=O)c2ccc(C[N@H+](CC)C3CC3)cc2)C1 ZINC000081334323 493873763 /nfs/dbraw/zinc/87/37/63/493873763.db2.gz XAKCSERCLDAMSQ-IBGZPJMESA-N 2 0 357.542 3.475 20 0 FGADRP C[NH+](C)C1(CNC(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)CCCCC1 ZINC000061020907 493962507 /nfs/dbraw/zinc/96/25/07/493962507.db2.gz YDTZISVUIBBYDC-FQEVSTJZSA-N 2 0 372.557 3.215 20 0 FGADRP CCCC[N@H+](C)CC1CC[NH+](CC(=O)N[C@@H](C)c2ccc(F)cc2)CC1 ZINC000052209950 494012082 /nfs/dbraw/zinc/01/20/82/494012082.db2.gz LUUFBVDTJXTBPX-KRWDZBQOSA-N 2 0 363.521 3.447 20 0 FGADRP CC(C)[C@@H](CNC(=O)NC1CC[NH+](Cc2ccccc2)CC1)[NH+]1CCCC1 ZINC000077412710 494078078 /nfs/dbraw/zinc/07/80/78/494078078.db2.gz TZFSBDBHBWOLOI-OAQYLSRUSA-N 2 0 372.557 3.071 20 0 FGADRP C[C@@H]([NH2+]CCC[NH+]1CCCC1)c1ccc(I)cc1 ZINC000037229459 494102883 /nfs/dbraw/zinc/10/28/83/494102883.db2.gz HOJUKHKGYPZJLF-CYBMUJFWSA-N 2 0 358.267 3.428 20 0 FGADRP Cc1ccc([C@@H](CNC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)[NH+]2CCCC2)o1 ZINC000085360250 494116524 /nfs/dbraw/zinc/11/65/24/494116524.db2.gz GFIBGGDLMYYRMH-DLBZAZTESA-N 2 0 364.534 3.000 20 0 FGADRP CC[NH+](CC)Cc1ccc(CNC(=O)N[C@H](C)C(C)(C)C[NH+](C)C)cc1 ZINC000085358365 494116637 /nfs/dbraw/zinc/11/66/37/494116637.db2.gz LRIJJDIYPQLDIN-QGZVFWFLSA-N 2 0 362.562 3.304 20 0 FGADRP CC(C)[C@H](C(=O)Nc1cccc(C[NH+]2CCC(O)CC2)c1)[NH+]1CCCCC1 ZINC000086238868 494145503 /nfs/dbraw/zinc/14/55/03/494145503.db2.gz FTGJQSSKWHBLHG-OAQYLSRUSA-N 2 0 373.541 3.092 20 0 FGADRP CC1CC[NH+](CCCNC(=O)N2CC[NH+](CC3CCCCC3)CC2)CC1 ZINC000065444157 494198561 /nfs/dbraw/zinc/19/85/61/494198561.db2.gz BRPFTLKBDDLHLV-UHFFFAOYSA-N 2 0 364.578 3.016 20 0 FGADRP Cc1ccc([C@H](CNC(=O)NC[C@@H](c2ccsc2)[NH+](C)C)[NH+](C)C)cc1 ZINC000065469760 494201419 /nfs/dbraw/zinc/20/14/19/494201419.db2.gz KGAJJNXDEFFTIH-OALUTQOASA-N 2 0 374.554 3.261 20 0 FGADRP Cc1c[nH+]ccc1N1CCC(C(=O)NC[C@]2([NH+](C)C)CCC[C@H](C)C2)CC1 ZINC000073025551 494308137 /nfs/dbraw/zinc/30/81/37/494308137.db2.gz FEIQVEQKHKRPTC-JTSKRJEESA-N 2 0 372.557 3.233 20 0 FGADRP CCC(CC)[C@@H](CNC(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1)[NH+]1CCCC1 ZINC000078524394 494313752 /nfs/dbraw/zinc/31/37/52/494313752.db2.gz NASRNYFDTGYXDJ-AZUAARDMSA-N 2 0 366.594 3.307 20 0 FGADRP CN(CC1(C)CC[NH+](Cc2ccccc2)CC1)C(=O)C1CC[NH+](C)CC1 ZINC000073429004 494369794 /nfs/dbraw/zinc/36/97/94/494369794.db2.gz GOHXYYHNRRRMSD-UHFFFAOYSA-N 2 0 357.542 3.089 20 0 FGADRP C[NH+]1CCC(C(=O)NCC2CC[NH+](Cc3ccccc3Cl)CC2)CC1 ZINC000073455914 494373660 /nfs/dbraw/zinc/37/36/60/494373660.db2.gz PRMUBVCLDSFAPQ-UHFFFAOYSA-N 2 0 363.933 3.010 20 0 FGADRP O=C(NCc1ccc(C[NH+]2CCCC2)cc1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000078954278 494383923 /nfs/dbraw/zinc/38/39/23/494383923.db2.gz MCDOWACWHNKNTM-OAQYLSRUSA-N 2 0 370.541 3.052 20 0 FGADRP CC1CC[NH+](CCCNC(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000044913873 494387948 /nfs/dbraw/zinc/38/79/48/494387948.db2.gz UTXBAFFJPUUUNF-NRFANRHFSA-N 2 0 357.542 3.137 20 0 FGADRP COc1cc(-c2noc(C[N@@H+]3CC4(C[C@@H]3C)CC[NH2+]CC4)n2)ccc1C ZINC000577382643 505717847 /nfs/dbraw/zinc/71/78/47/505717847.db2.gz HGLKBMHMIFLZRK-HNNXBMFYSA-N 2 0 356.470 3.018 20 0 FGADRP Cc1cc(C)cc([C@H](C)[NH2+]Cc2ccc(C(=O)NCC[NH+](C)C)cc2)c1 ZINC000090038543 494431214 /nfs/dbraw/zinc/43/12/14/494431214.db2.gz XSDOOQYFEMAQDV-SFHVURJKSA-N 2 0 353.510 3.446 20 0 FGADRP O[C@@H]1CCCC[C@@H]1[NH+]1CCC(NC2CC[NH+](C3CCCCC3)CC2)CC1 ZINC000090525260 494478288 /nfs/dbraw/zinc/47/82/88/494478288.db2.gz KVHLPMLNPBUJPC-FCHUYYIVSA-N 2 0 363.590 3.141 20 0 FGADRP C[C@H]([NH2+][C@@H]1CCO[C@]2(CCSC2)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000090541611 494479867 /nfs/dbraw/zinc/47/98/67/494479867.db2.gz JSPASEWFMFRLMN-ILZDJORESA-N 2 0 364.555 3.332 20 0 FGADRP CC[NH+](CC)[C@@H]1CCN(C(=O)NCC(C)(C)[NH2+][C@@H](C)c2ccccc2)C1 ZINC000074210878 494498089 /nfs/dbraw/zinc/49/80/89/494498089.db2.gz HYWBXVOXBPVEDQ-PKOBYXMFSA-N 2 0 360.546 3.242 20 0 FGADRP CCC[NH+]1CCC(NC(=O)NCC(C)(C)[NH2+][C@@H](C)c2ccccc2)CC1 ZINC000074210810 494498321 /nfs/dbraw/zinc/49/83/21/494498321.db2.gz HQMZGECHHPSCKE-KRWDZBQOSA-N 2 0 360.546 3.289 20 0 FGADRP COc1ccc([C@H](CNC(=O)C[N@@H+]2C[C@@H](C)C[C@H]2C)[NH+]2CCCCC2)cc1 ZINC000568570689 505724486 /nfs/dbraw/zinc/72/44/86/505724486.db2.gz GIMLMSWSMBEQLD-UEXGIBASSA-N 2 0 373.541 3.069 20 0 FGADRP Cc1nn(-c2cccc(F)c2)cc1C[NH+]1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000580297499 505726368 /nfs/dbraw/zinc/72/63/68/505726368.db2.gz IFJPKXIAFDFQQR-TZIWHRDSSA-N 2 0 372.488 3.038 20 0 FGADRP CC(C)[N@@H+](C)C[C@H](C)NC(=O)NCc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000574247519 505729417 /nfs/dbraw/zinc/72/94/17/505729417.db2.gz ZJZKMIKPRQZVBL-IBGZPJMESA-N 2 0 374.573 3.446 20 0 FGADRP CC(C)(C)NC(=O)C[NH+]1CCC(C[NH2+][C@@H](c2ccccc2)C2CC2)CC1 ZINC000091368228 494588222 /nfs/dbraw/zinc/58/82/22/494588222.db2.gz XCZUTKZXHOMQNM-NRFANRHFSA-N 2 0 357.542 3.354 20 0 FGADRP CCC[N@H+](CC)CCNC(=O)N[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000080159597 494618514 /nfs/dbraw/zinc/61/85/14/494618514.db2.gz WPOXYYYJGFOUBE-QUCCMNQESA-N 2 0 360.546 3.071 20 0 FGADRP CC[NH+](CC)Cc1cccc(CNC(=O)N(C)C[C@H]2CCC[N@H+](C)C2)c1 ZINC000115795675 494624164 /nfs/dbraw/zinc/62/41/64/494624164.db2.gz ZEVUTPRGLBRLLN-FQEVSTJZSA-N 2 0 360.546 3.012 20 0 FGADRP CC(C)(C)NC(=O)C[NH+]1CCC(CNc2cc[nH+]c3cc(F)ccc23)CC1 ZINC000080248247 494651443 /nfs/dbraw/zinc/65/14/43/494651443.db2.gz VZFRBNDATPSCIQ-UHFFFAOYSA-N 2 0 372.488 3.413 20 0 FGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@H](C)c2ccccc2OC(F)F)CC1 ZINC000121219032 494653508 /nfs/dbraw/zinc/65/35/08/494653508.db2.gz MBHMNCVURAIKCZ-JKSUJKDBSA-N 2 0 355.473 3.212 20 0 FGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@H](C)c2cccc(OC(F)F)c2)CC1 ZINC000121223368 494654681 /nfs/dbraw/zinc/65/46/81/494654681.db2.gz WEVMCRHTZOTALN-JKSUJKDBSA-N 2 0 355.473 3.212 20 0 FGADRP C[NH+](C)[C@H](CNC(=O)[C@H]1CCC[N@@H+]1Cc1ccccc1)c1ccc(F)cc1 ZINC000057177567 494669115 /nfs/dbraw/zinc/66/91/15/494669115.db2.gz OFLACAWGSNWYRJ-NHCUHLMSSA-N 2 0 369.484 3.209 20 0 FGADRP C[C@@H]1C[NH+](CC2CC[NH+](CC3=Cc4ccccc4OC3)CC2)C[C@@H](C)O1 ZINC000092587319 494678569 /nfs/dbraw/zinc/67/85/69/494678569.db2.gz ZJPDUNQPTCPQNO-QZTJIDSGSA-N 2 0 356.510 3.284 20 0 FGADRP COc1ccc(C(=O)Nc2cccc(C[NH2+]C[C@H]3CCC[N@H+](C)C3)c2)cc1 ZINC000108429085 494705931 /nfs/dbraw/zinc/70/59/31/494705931.db2.gz XPKVFIHBLYCGFR-GOSISDBHSA-N 2 0 367.493 3.379 20 0 FGADRP CC[NH+]1CCN(Cc2ccccc2C[NH2+][C@H](C)c2ccc(F)cn2)CC1 ZINC000092739573 494733438 /nfs/dbraw/zinc/73/34/38/494733438.db2.gz KXKLWGOBZADLTO-QGZVFWFLSA-N 2 0 356.489 3.209 20 0 FGADRP C[C@H]([NH2+]CCCC[NH+]1CCN(Cc2ccccc2)CC1)c1ccc(F)cn1 ZINC000092739816 494734375 /nfs/dbraw/zinc/73/43/75/494734375.db2.gz XMZCGHWRLRVENN-IBGZPJMESA-N 2 0 370.516 3.469 20 0 FGADRP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)NCCCC[NH+]2CCCC2)CC1 ZINC000116434531 494784860 /nfs/dbraw/zinc/78/48/60/494784860.db2.gz UXVHLODQNOLQEH-LJQANCHMSA-N 2 0 372.557 3.387 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)NC1CC[NH+](C(C)C)CC1)c1ccsc1 ZINC000047884084 494788086 /nfs/dbraw/zinc/78/80/86/494788086.db2.gz DNMGWHUEZWTLDQ-SFHVURJKSA-N 2 0 366.575 3.303 20 0 FGADRP CC[N@H+](C)[C@H](C(=O)N1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)c1ccccc1 ZINC000126635650 494807024 /nfs/dbraw/zinc/80/70/24/494807024.db2.gz FGSWSACDYLLAQS-NRSPTQNISA-N 2 0 355.526 3.155 20 0 FGADRP C[NH+]1CCN(Cc2ccc(C[NH2+][C@@H]3CCc4cc(F)ccc43)cc2)CC1 ZINC000126647944 494810623 /nfs/dbraw/zinc/81/06/23/494810623.db2.gz ZGUITAGEXJMFDH-JOCHJYFZSA-N 2 0 353.485 3.350 20 0 FGADRP CC[NH+]1CCN(c2ccccc2C[NH+]2CCC(OCC(C)C)CC2)CC1 ZINC000092223308 494813584 /nfs/dbraw/zinc/81/35/84/494813584.db2.gz KEOTYDFQWUEVBK-UHFFFAOYSA-N 2 0 359.558 3.466 20 0 FGADRP C[N@@H+]1CCC[C@H](CNC(=O)c2ccccc2CC[NH3+])[C@@H]1c1cccs1 ZINC000577525884 505745654 /nfs/dbraw/zinc/74/56/54/505745654.db2.gz NZSVDSIBWZJSLT-VQIMIIECSA-N 2 0 357.523 3.062 20 0 FGADRP CC(C)[C@H](C[NH2+][C@H](C)c1cccc(OC(F)F)c1)N1CC[NH+](C)CC1 ZINC000132361673 494862444 /nfs/dbraw/zinc/86/24/44/494862444.db2.gz URNPBCXOBXCUEW-QAPCUYQASA-N 2 0 355.473 3.211 20 0 FGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+][C@H]2C[C@H](C)N(C3CC3)C2)CC1 ZINC000127278866 494921749 /nfs/dbraw/zinc/92/17/49/494921749.db2.gz TXKCOYHQEOPCTM-LNLFQRSKSA-N 2 0 374.548 3.243 20 0 FGADRP COc1ccsc1C[NH+]1CCC(CC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000093844239 494927511 /nfs/dbraw/zinc/92/75/11/494927511.db2.gz WHKPFPXNMYBSCC-HOTGVXAUSA-N 2 0 352.544 3.468 20 0 FGADRP CN(c1ccccc1CNCC[NH+]1CCCCCC1)C1CC[NH+](C)CC1 ZINC000132859460 494934579 /nfs/dbraw/zinc/93/45/79/494934579.db2.gz RKAYIBIKQHDXIK-UHFFFAOYSA-N 2 0 358.574 3.183 20 0 FGADRP COc1ccc(Cl)cc1C1(C[NH2+][C@H]2CCC[C@H]([NH3+])C2)CCOCC1 ZINC000574338979 505750564 /nfs/dbraw/zinc/75/05/64/505750564.db2.gz ISFYRCLPIMTMSU-HOTGVXAUSA-N 2 0 352.906 3.256 20 0 FGADRP CC(=O)Nc1cccc([C@H](C)[NH2+]Cc2ccccc2OCC[NH+](C)C)c1 ZINC000122268358 494949983 /nfs/dbraw/zinc/94/99/83/494949983.db2.gz RVQMKUBRFMZPQT-INIZCTEOSA-N 2 0 355.482 3.436 20 0 FGADRP C[C@H](C[NH2+][C@H](C)C(c1ccccc1)c1ccccc1)N1CC[NH+](C)CC1 ZINC000127635969 494974338 /nfs/dbraw/zinc/97/43/38/494974338.db2.gz CUDQCPIQUQPGAT-WOJBJXKFSA-N 2 0 351.538 3.433 20 0 FGADRP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](Cc2c[nH]nc2-c2cccc(Cl)c2)CC1 ZINC000580409169 505753069 /nfs/dbraw/zinc/75/30/69/505753069.db2.gz BNRFVKCPLRSSQO-UYAOXDASSA-N 2 0 374.916 3.448 20 0 FGADRP CCC[NH+]1CCC(NC(=O)N2CCC(CCC[NH+]3CCCC3)CC2)CC1 ZINC000133406714 495010724 /nfs/dbraw/zinc/01/07/24/495010724.db2.gz QWTOQAKLVCUDQC-UHFFFAOYSA-N 2 0 364.578 3.158 20 0 FGADRP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCN(c3ccccc3OC(F)F)C2)[C@H](C)C1 ZINC000127994252 495028110 /nfs/dbraw/zinc/02/81/10/495028110.db2.gz HLKXAPGJDJLYKI-OAGGEKHMSA-N 2 0 353.457 3.187 20 0 FGADRP CC[NH+](CC)[C@@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000111090111 495037811 /nfs/dbraw/zinc/03/78/11/495037811.db2.gz GSTLMSLOZUJYOX-FGZHOGPDSA-N 2 0 365.521 3.460 20 0 FGADRP C[C@H](C(=O)Nc1cccc2ncccc21)[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000118868005 495051178 /nfs/dbraw/zinc/05/11/78/495051178.db2.gz MUQIDHMJGVIRCC-MRXNPFEDSA-N 2 0 354.498 3.226 20 0 FGADRP C[NH+]1CCC(N2CCC([NH2+]Cc3cccc4c3OC(C)(C)C4)CC2)CC1 ZINC000118951471 495056092 /nfs/dbraw/zinc/05/60/92/495056092.db2.gz LXUWLJZLLHAFKC-UHFFFAOYSA-N 2 0 357.542 3.048 20 0 FGADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)CC(=O)Nc2cc(Cl)ccc2OC)C1 ZINC000098173256 495062973 /nfs/dbraw/zinc/06/29/73/495062973.db2.gz QDZUPBQHMFQMFN-LSDHHAIUSA-N 2 0 367.921 3.387 20 0 FGADRP Cc1ccc([C@H](CNC(=O)c2ccc(C[NH+](C)C)cc2)[NH+]2CCCC2)o1 ZINC000101527320 495071729 /nfs/dbraw/zinc/07/17/29/495071729.db2.gz DMWHBEOLJCSVPE-IBGZPJMESA-N 2 0 355.482 3.217 20 0 FGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)Nc1cccc(N2CC[NH+](C(C)C)CC2)c1 ZINC000123190129 495094056 /nfs/dbraw/zinc/09/40/56/495094056.db2.gz JEWVPEHMJFZGHK-HXUWFJFHSA-N 2 0 358.530 3.030 20 0 FGADRP c1ccc(COc2cccc(C[NH+]3CCC([C@@H]4CC[NH2+]C4)CC3)c2)nc1 ZINC000580445331 505760757 /nfs/dbraw/zinc/76/07/57/505760757.db2.gz SSBODUTUHFRZEI-HXUWFJFHSA-N 2 0 351.494 3.482 20 0 FGADRP Cc1nc(-c2cccnc2)sc1[C@@H](C)[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000128458726 495100157 /nfs/dbraw/zinc/10/01/57/495100157.db2.gz JORNNXKTCBZEIC-MRXNPFEDSA-N 2 0 373.570 3.192 20 0 FGADRP COc1ccc2cc(C[NH+]3CCC(C[NH+]4CCOCC4)CC3)ccc2c1 ZINC000134076570 495102567 /nfs/dbraw/zinc/10/25/67/495102567.db2.gz OHDKDFRWDYKRCC-UHFFFAOYSA-N 2 0 354.494 3.393 20 0 FGADRP CCCOc1ccc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)cc1OC ZINC000134115175 495107485 /nfs/dbraw/zinc/10/74/85/495107485.db2.gz XPLLBYTXBZCEHP-UHFFFAOYSA-N 2 0 362.514 3.028 20 0 FGADRP Cc1ccc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)c(Br)c1 ZINC000134112203 495107941 /nfs/dbraw/zinc/10/79/41/495107941.db2.gz JLPFDXAXMRJZOW-UHFFFAOYSA-N 2 0 367.331 3.302 20 0 FGADRP CCCC[N@H+](C)CC1CC[NH+](Cc2cn(C)nc2-c2ccncc2)CC1 ZINC000134170504 495116292 /nfs/dbraw/zinc/11/62/92/495116292.db2.gz RGAVDKSGQBOMPH-UHFFFAOYSA-N 2 0 355.530 3.426 20 0 FGADRP C[C@H](CNC(=O)N1CCC(C[NH+]2CCCC2)CC1)[N@H+](C)Cc1ccccc1 ZINC000111874816 495123995 /nfs/dbraw/zinc/12/39/95/495123995.db2.gz LHLMIZDAIFFPTI-LJQANCHMSA-N 2 0 372.557 3.024 20 0 FGADRP C[C@H]([NH2+][C@H]1CCN(c2ccccc2)C1=O)c1cccc(OCC[NH+](C)C)c1 ZINC000128995921 495179318 /nfs/dbraw/zinc/17/93/18/495179318.db2.gz UNINYPLFGSEYTF-UWJYYQICSA-N 2 0 367.493 3.083 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N1CCC(CC[NH+](C)C)CC1)c1ccco1 ZINC000129069773 495191886 /nfs/dbraw/zinc/19/18/86/495191886.db2.gz KSJLXFJKDUIAMG-GOSISDBHSA-N 2 0 364.534 3.036 20 0 FGADRP O=C1[C@H](N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)CCN1c1cccc(Cl)c1 ZINC000134906491 495219565 /nfs/dbraw/zinc/21/95/65/495219565.db2.gz NSECVIZOGMESRJ-CDHQVMDDSA-N 2 0 373.928 3.394 20 0 FGADRP CC1CC[NH+](Cc2ccccc2CNC(=O)N(C)CC[NH+]2CCCC2)CC1 ZINC000112742431 495234055 /nfs/dbraw/zinc/23/40/55/495234055.db2.gz RGFDKGDHSCBMCW-UHFFFAOYSA-N 2 0 372.557 3.156 20 0 FGADRP CC(C)[C@H](C[NH2+]Cc1ccc(F)cc1C(F)(F)F)N1CC[NH+](C)CC1 ZINC000129441586 495246059 /nfs/dbraw/zinc/24/60/59/495246059.db2.gz YINJCRJLXVVJRD-KRWDZBQOSA-N 2 0 361.427 3.206 20 0 FGADRP CN(CC1CC[NH+](C)CC1)C(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000103595557 495249224 /nfs/dbraw/zinc/24/92/24/495249224.db2.gz ZMVOFPLEZJDHEP-UHFFFAOYSA-N 2 0 364.578 3.158 20 0 FGADRP C[N@H+](CCN1CC[NH+](CCCOc2ccccc2)CC1)Cc1ccccc1 ZINC000104087634 495268729 /nfs/dbraw/zinc/26/87/29/495268729.db2.gz LYFVUWBMBDUKQN-UHFFFAOYSA-N 2 0 367.537 3.205 20 0 FGADRP CC[N@@H+]1CCCC[C@H]1C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000104343597 495278818 /nfs/dbraw/zinc/27/88/18/495278818.db2.gz KXBSXTJDZSPIMJ-IBGZPJMESA-N 2 0 361.555 3.091 20 0 FGADRP O=C([C@@H]1CCC[N@H+](Cc2ccccc2)C1)N1CCCC[C@@H]1c1ncc[nH]1 ZINC000120169391 495320527 /nfs/dbraw/zinc/32/05/27/495320527.db2.gz NKXRQTBVNBVCOM-RTBURBONSA-N 2 0 352.482 3.376 20 0 FGADRP CN(C(=O)NCC[N@H+](C)C1CCCC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000113617217 495320847 /nfs/dbraw/zinc/32/08/47/495320847.db2.gz BWCQGNYLYTYMLC-UHFFFAOYSA-N 2 0 372.557 3.167 20 0 FGADRP CC(C)[NH+](CCCNC(=O)NCc1ccc(C[NH+](C)C)c(F)c1)C(C)C ZINC000135667905 495324809 /nfs/dbraw/zinc/32/48/09/495324809.db2.gz WKFBZZYGYWVCSA-UHFFFAOYSA-N 2 0 366.525 3.195 20 0 FGADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)N[C@@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000105149849 495340473 /nfs/dbraw/zinc/34/04/73/495340473.db2.gz CUFUFSOMKZAHBM-NHCUHLMSSA-N 2 0 372.557 3.071 20 0 FGADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@H]1CC2(CCCCC2)Oc2ccccc21 ZINC000130141479 495347923 /nfs/dbraw/zinc/34/79/23/495347923.db2.gz FLEZLQOXZVZVSB-ICSRJNTNSA-N 2 0 357.542 3.439 20 0 FGADRP C[NH+]1CCC(N2CCC([NH2+]Cc3ccc4c(c3)CC(C)(C)O4)CC2)CC1 ZINC000105425583 495364923 /nfs/dbraw/zinc/36/49/23/495364923.db2.gz ZZHAAQNWHHSNHW-UHFFFAOYSA-N 2 0 357.542 3.048 20 0 FGADRP C[NH+]1CCC(C[NH2+]Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)CC1 ZINC000105459064 495365540 /nfs/dbraw/zinc/36/55/40/495365540.db2.gz HERLLYKFLQMESG-UHFFFAOYSA-N 2 0 352.404 3.323 20 0 FGADRP C[C@H](c1cccc(Cl)c1)[N@H+](C)Cc1cnc(N2CCN(C)CC2)nc1 ZINC000130365750 495380939 /nfs/dbraw/zinc/38/09/39/495380939.db2.gz IOPIVAKJNKGRFK-OAHLLOKOSA-N 2 0 359.905 3.075 20 0 FGADRP CC[NH+](CC)Cc1ccc(CNC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)cc1 ZINC000136574421 495388133 /nfs/dbraw/zinc/38/81/33/495388133.db2.gz HAQJISBJNMJODU-NHCUHLMSSA-N 2 0 372.557 3.154 20 0 FGADRP CC[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)c1ccc2c(c1)CCO2 ZINC000130490469 495399991 /nfs/dbraw/zinc/39/99/91/495399991.db2.gz VMWKSEAQDIEVSK-FQEVSTJZSA-N 2 0 366.509 3.009 20 0 FGADRP CC[NH+](CC)Cc1ccc(CNC(=O)NC2CCC(C[NH+](C)C)CC2)cc1 ZINC000137414290 495439890 /nfs/dbraw/zinc/43/98/90/495439890.db2.gz UGYYCIXXDPKDNK-UHFFFAOYSA-N 2 0 374.573 3.448 20 0 FGADRP CCOc1ccc(NC(=O)CC[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc1 ZINC000137683629 495448932 /nfs/dbraw/zinc/44/89/32/495448932.db2.gz MHWBETGXKUJYNO-SFHVURJKSA-N 2 0 359.514 3.222 20 0 FGADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000138032809 495455654 /nfs/dbraw/zinc/45/56/54/495455654.db2.gz AHQSOJCFIXGCNM-UHFFFAOYSA-N 2 0 374.573 3.446 20 0 FGADRP C[C@@H](C[NH2+][C@@H]1CCCOc2ccc(Cl)cc21)CN1CC[NH+](C)CC1 ZINC000120808700 495461974 /nfs/dbraw/zinc/46/19/74/495461974.db2.gz HJWASUSYZKVFMO-MAUKXSAKSA-N 2 0 351.922 3.027 20 0 FGADRP C[C@H](C[NH2+][C@@H]1CCCOc2ccc(Cl)cc21)CN1CC[NH+](C)CC1 ZINC000120808859 495462505 /nfs/dbraw/zinc/46/25/05/495462505.db2.gz HJWASUSYZKVFMO-CRAIPNDOSA-N 2 0 351.922 3.027 20 0 FGADRP CC(C)[C@H](CNC(=O)N1CCCC[C@@H]1c1ncc[nH]1)[NH+]1CCC(C)CC1 ZINC000106529712 495462779 /nfs/dbraw/zinc/46/27/79/495462779.db2.gz RNJRYKZSPUNVDH-MSOLQXFVSA-N 2 0 361.534 3.403 20 0 FGADRP CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+]C[C@H](C)C[NH+]2CCCCC2)cc1 ZINC000125615589 495471962 /nfs/dbraw/zinc/47/19/62/495471962.db2.gz JGLBIVCHKFPWKN-DLBZAZTESA-N 2 0 367.559 3.221 20 0 FGADRP C[NH+](C)Cc1cc(C[NH2+]C2CCN(Cc3cccnc3)CC2)ccc1F ZINC000120982519 495497502 /nfs/dbraw/zinc/49/75/02/495497502.db2.gz XAFONQBFOMCFSP-UHFFFAOYSA-N 2 0 356.489 3.037 20 0 FGADRP CC[N@H+](C)Cc1cccc(CNC(=O)NC[C@@H](C)[NH+]2CCC[C@H](C)C2)c1 ZINC000140554436 495497814 /nfs/dbraw/zinc/49/78/14/495497814.db2.gz ZIORLKPSXKDHNT-ZWKOTPCHSA-N 2 0 360.546 3.058 20 0 FGADRP CC[NH+](CC)CCOc1ccc(C[NH2+][C@@H]2CCCSC2)cc1OC ZINC000131187846 495503642 /nfs/dbraw/zinc/50/36/42/495503642.db2.gz RRQHGAKPLQVAIF-QGZVFWFLSA-N 2 0 352.544 3.401 20 0 FGADRP O=C(c1cccc(C[NH+]2CCCC2)c1)N1CCC[C@H]([NH+]2CCCCC2)C1 ZINC000107636781 495530004 /nfs/dbraw/zinc/53/00/04/495530004.db2.gz JKSVMOAGHPDGEL-NRFANRHFSA-N 2 0 355.526 3.373 20 0 FGADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NCc1nccn1CC(C)C ZINC000173454807 495537491 /nfs/dbraw/zinc/53/74/91/495537491.db2.gz VNROJURWYPQYFN-UHFFFAOYSA-N 2 0 371.529 3.332 20 0 FGADRP CC[NH+](CC)[C@@H](C(=O)N1CCC[C@H]([NH3+])C1)c1cccc(C(F)(F)F)c1 ZINC000158591692 495545061 /nfs/dbraw/zinc/54/50/61/495545061.db2.gz JAPJYBYBQNNGIY-JKSUJKDBSA-N 2 0 357.420 3.038 20 0 FGADRP Cc1ccc([C@@H](CNC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)[NH+]2CCCC2)o1 ZINC000176232103 495557058 /nfs/dbraw/zinc/55/70/58/495557058.db2.gz GWZVVDKGYBMIKN-XVLXNVKGSA-N 2 0 374.529 3.039 20 0 FGADRP C[C@@H](NC(=O)NCc1cccc(C[NH+](C)C)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182444041 495566519 /nfs/dbraw/zinc/56/65/19/495566519.db2.gz DDOJEGUDKUBSNE-YLJYHZDGSA-N 2 0 372.557 3.200 20 0 FGADRP C[C@@H]([NH2+]CCCC[NH+]1CCN(Cc2ccccc2)CC1)c1ccccn1 ZINC000158693050 495569250 /nfs/dbraw/zinc/56/92/50/495569250.db2.gz ALYCAYYTNRNZJU-HXUWFJFHSA-N 2 0 352.526 3.330 20 0 FGADRP C[C@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000173521693 495570987 /nfs/dbraw/zinc/57/09/87/495570987.db2.gz AXBRTFRYAYLKJC-IBGZPJMESA-N 2 0 365.521 3.485 20 0 FGADRP Cc1cccc2c1[C@@H](C)C[C@@H]2[NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000179397847 495575813 /nfs/dbraw/zinc/57/58/13/495575813.db2.gz FQUHDMQVTNLRMU-PXNSSMCTSA-N 2 0 350.510 3.480 20 0 FGADRP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000173540663 495580932 /nfs/dbraw/zinc/58/09/32/495580932.db2.gz WNHAYYMERYRDPR-OAQYLSRUSA-N 2 0 372.557 3.298 20 0 FGADRP C[C@@H]1C[C@H](N(C)C(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)CC[N@@H+]1C ZINC000154339031 495585544 /nfs/dbraw/zinc/58/55/44/495585544.db2.gz KKPGVBZNFIAFJI-UYAOXDASSA-N 2 0 357.542 3.230 20 0 FGADRP CN1CC[NH+](CCCC[NH2+][C@H]2CCCOc3ccc(Cl)cc32)CC1 ZINC000154344133 495586998 /nfs/dbraw/zinc/58/69/98/495586998.db2.gz RSHMEPMRCABZDL-SFHVURJKSA-N 2 0 351.922 3.171 20 0 FGADRP C[C@H]([NH2+]CCCC[NH+]1CCN(C)CC1)c1ccccc1OC(F)(F)F ZINC000154352017 495589242 /nfs/dbraw/zinc/58/92/42/495589242.db2.gz TVMQKABWMCOFAY-HNNXBMFYSA-N 2 0 359.436 3.263 20 0 FGADRP COc1cc([C@@H](C)[NH2+]CCCC[NH+]2CCN(C)CC2)ccc1SC ZINC000154411910 495609067 /nfs/dbraw/zinc/60/90/67/495609067.db2.gz FLPDIDCVSWVTMP-MRXNPFEDSA-N 2 0 351.560 3.095 20 0 FGADRP C[C@H](CNC(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)[NH+]1CCC(C)CC1 ZINC000182563971 495617298 /nfs/dbraw/zinc/61/72/98/495617298.db2.gz GKNDEGKHVVRBOH-CEXWTWQISA-N 2 0 364.578 3.059 20 0 FGADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000176368045 495623580 /nfs/dbraw/zinc/62/35/80/495623580.db2.gz WZTRAGXNQULFOZ-RTWAWAEBSA-N 2 0 370.541 3.051 20 0 FGADRP CC[NH+](CC)CCCC1CCN(C(=O)N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)CC1 ZINC000182588517 495627260 /nfs/dbraw/zinc/62/72/60/495627260.db2.gz PPRKSXJSNIDZRC-PKOBYXMFSA-N 2 0 364.578 3.155 20 0 FGADRP CCN1CC[NH+](CCCC[NH2+][C@@H](C)c2ccc(F)cc2OC(F)F)CC1 ZINC000154537717 495647160 /nfs/dbraw/zinc/64/71/60/495647160.db2.gz DGVDCVLCCIBXJD-HNNXBMFYSA-N 2 0 373.463 3.495 20 0 FGADRP C[C@H](NC(=O)CN1CC[C@H](C[NH+]2CCCC2)C1)c1cccc2ccccc21 ZINC000150838136 495651290 /nfs/dbraw/zinc/65/12/90/495651290.db2.gz DCNUVSWLZSJDBA-RBUKOAKNSA-N 2 0 365.521 3.435 20 0 FGADRP CC(C)Cc1ccc([C@H](CNC(=O)C23CCC[NH+]2CCC3)[NH+](C)C)cc1 ZINC000580606941 505795814 /nfs/dbraw/zinc/79/58/14/505795814.db2.gz AGFNRVIHTYRQEV-FQEVSTJZSA-N 2 0 357.542 3.232 20 0 FGADRP C[C@@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)c1ccc(Cl)s1 ZINC000159143222 495669460 /nfs/dbraw/zinc/66/94/60/495669460.db2.gz GACCTGSNNLITBL-CYBMUJFWSA-N 2 0 350.919 3.399 20 0 FGADRP C[C@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)c1cnc2ccsc2c1 ZINC000159189325 495680620 /nfs/dbraw/zinc/68/06/20/495680620.db2.gz ARHLKQMGHLISNP-HNNXBMFYSA-N 2 0 367.522 3.294 20 0 FGADRP C[C@H](NC(=O)NC1CCC(C[NH+](C)C)CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182761908 495693052 /nfs/dbraw/zinc/69/30/52/495693052.db2.gz YJCUSLRGFAITOT-BKVYNOPKSA-N 2 0 364.578 3.059 20 0 FGADRP CN(c1ccccc1C[NH2+]C[C@@](C)(O)c1cccs1)C1CC[NH+](C)CC1 ZINC000150970971 495697522 /nfs/dbraw/zinc/69/75/22/495697522.db2.gz YCQNYJPJJGRISL-OAQYLSRUSA-N 2 0 373.566 3.276 20 0 FGADRP CC(C)CC[C@@](C)(O)C[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000150976772 495700112 /nfs/dbraw/zinc/70/01/12/495700112.db2.gz RAIHTGFKZXZLLF-JOCHJYFZSA-N 2 0 361.574 3.494 20 0 FGADRP COC(=O)c1ccccc1OCC[NH2+][C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185730980 495701191 /nfs/dbraw/zinc/70/11/91/495701191.db2.gz NOUJJJVFBXCWTG-SJORKVTESA-N 2 0 360.498 3.095 20 0 FGADRP CC[NH+](CC)CCCNC(=O)C1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000150993289 495705637 /nfs/dbraw/zinc/70/56/37/495705637.db2.gz RMHWLLVCRVZKDL-UHFFFAOYSA-N 2 0 367.484 3.025 20 0 FGADRP COc1ccc(NC(=O)CC[NH2+][C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cc1 ZINC000185755556 495712621 /nfs/dbraw/zinc/71/26/21/495712621.db2.gz MXLINANZBFGRMP-IRXDYDNUSA-N 2 0 359.514 3.266 20 0 FGADRP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc(OC)c(Cn3cccn3)c2)C1 ZINC000151130801 495747848 /nfs/dbraw/zinc/74/78/48/495747848.db2.gz ACXAOCQADVOTQX-ROUUACIJSA-N 2 0 356.514 3.323 20 0 FGADRP C[C@H](NC(=O)N(CC[NH+](C)C)C1CCCC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182898532 495747927 /nfs/dbraw/zinc/74/79/27/495747927.db2.gz SMGDDNOCEPQUEO-ROUUACIJSA-N 2 0 364.578 3.155 20 0 FGADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1ccc(OC(F)F)c(Cl)c1 ZINC000185876670 495760796 /nfs/dbraw/zinc/76/07/96/495760796.db2.gz KVZNEZJOGNZDPL-CYBMUJFWSA-N 2 0 361.864 3.057 20 0 FGADRP C[NH+]1CCN(CCC(C)(C)[NH2+]Cc2ncc(-c3ccccc3)s2)CC1 ZINC000185893742 495768543 /nfs/dbraw/zinc/76/85/43/495768543.db2.gz BYAFTDXQLBVYSZ-UHFFFAOYSA-N 2 0 358.555 3.316 20 0 FGADRP C[N@H+](CCCOc1cccc2ccccc21)CCCN1CC[NH+](C)CC1 ZINC000182962091 495776204 /nfs/dbraw/zinc/77/62/04/495776204.db2.gz BYUZNTLLNTXTAA-UHFFFAOYSA-N 2 0 355.526 3.178 20 0 FGADRP C[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1)c1cccc(F)c1 ZINC000174069643 495809808 /nfs/dbraw/zinc/80/98/08/495809808.db2.gz FQFIRSPCZKVCGR-UZLBHIALSA-N 2 0 369.484 3.374 20 0 FGADRP CC[NH+]1CCC(CCNC(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000174111766 495825383 /nfs/dbraw/zinc/82/53/83/495825383.db2.gz ZXNGFAURSWDAPC-NRFANRHFSA-N 2 0 357.542 3.137 20 0 FGADRP C[NH+](C)Cc1ccnc(NC(=O)[C@@H]2CCC[N@H+](Cc3cccc(F)c3)C2)c1 ZINC000176938710 495849290 /nfs/dbraw/zinc/84/92/90/495849290.db2.gz LNGYVTFKLFEVBH-GOSISDBHSA-N 2 0 370.472 3.133 20 0 FGADRP c1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH2+]CCCO[C@@H]4CCOC4)[C@@H]3C2)cc1 ZINC000183148427 495855057 /nfs/dbraw/zinc/85/50/57/495855057.db2.gz YWBAAWLCCCKGRQ-CBPXPLCBSA-N 2 0 358.526 3.072 20 0 FGADRP COc1ccsc1[C@H](C)[NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000186179570 495887289 /nfs/dbraw/zinc/88/72/89/495887289.db2.gz QLZZCCOVTJRWEF-INIZCTEOSA-N 2 0 351.560 3.358 20 0 FGADRP CC[NH+]1CCN([C@H]2CC[N@H+](CCCc3ccc(C(F)(F)F)cc3)C2)CC1 ZINC000177026159 495888932 /nfs/dbraw/zinc/88/89/32/495888932.db2.gz HHGIPXTWNNTVDK-IBGZPJMESA-N 2 0 369.475 3.350 20 0 FGADRP Cc1ccc(F)cc1C[NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000180182843 495894457 /nfs/dbraw/zinc/89/44/57/495894457.db2.gz GLKHGZLVHJBNFG-IBGZPJMESA-N 2 0 369.484 3.121 20 0 FGADRP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]CCc1c(C)nc2ccccn2c1=O ZINC000577903886 505815323 /nfs/dbraw/zinc/81/53/23/505815323.db2.gz PUQAMGOBWWUPNI-UYAOXDASSA-N 2 0 370.541 3.036 20 0 FGADRP C[C@H](CN1CCCCC1)[NH2+]C1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000151873547 495976983 /nfs/dbraw/zinc/97/69/83/495976983.db2.gz VWVUOHSGZRTTTJ-MRXNPFEDSA-N 2 0 363.933 3.409 20 0 FGADRP CN(C)c1cc[nH+]cc1C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000183481272 496003654 /nfs/dbraw/zinc/00/36/54/496003654.db2.gz QQEGSSRPUMMKSX-UHFFFAOYSA-N 2 0 352.482 3.064 20 0 FGADRP COc1ccc([C@@H]([NH2+]C[C@H](C)N2CC[NH+](C)CC2)c2ccccc2)cc1 ZINC000180464094 496006378 /nfs/dbraw/zinc/00/63/78/496006378.db2.gz ROVASJCFGBTFSY-AVRDEDQJSA-N 2 0 353.510 3.010 20 0 FGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H](C)c2ccc(Br)cc2)CC1 ZINC000177294760 496009360 /nfs/dbraw/zinc/00/93/60/496009360.db2.gz SYWXWEIJANGPAZ-HZPDHXFCSA-N 2 0 368.363 3.373 20 0 FGADRP [NH3+]Cc1ccc(C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)cc1 ZINC000186468710 496009632 /nfs/dbraw/zinc/00/96/32/496009632.db2.gz QVHXCOAZDLSQSL-VXKWHMMOSA-N 2 0 363.505 3.272 20 0 FGADRP C[NH+](C)CCn1ccc2ccc(NC(=O)[C@@H]3C[NH2+]Cc4ccccc43)cc21 ZINC000580717507 505822335 /nfs/dbraw/zinc/82/23/35/505822335.db2.gz GTYSQFSVXOPGJJ-HXUWFJFHSA-N 2 0 362.477 3.028 20 0 FGADRP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)C3CC[NH+](C)CC3)cc2)C1 ZINC000174650675 496047244 /nfs/dbraw/zinc/04/72/44/496047244.db2.gz BHHYMPYAIODSFA-QZTJIDSGSA-N 2 0 357.542 3.123 20 0 FGADRP C[C@@H]([NH2+][C@@H](C)CCN1CC[NH+](C)CC1)c1ccc(OC(F)(F)F)cc1 ZINC000186567835 496049208 /nfs/dbraw/zinc/04/92/08/496049208.db2.gz CUNBUVMDPAFWEQ-LSDHHAIUSA-N 2 0 359.436 3.262 20 0 FGADRP CC(C)(C)[NH+]1CCC(NC(=O)NC2CC[NH+](C3CCCCC3)CC2)CC1 ZINC000177420448 496055999 /nfs/dbraw/zinc/05/59/99/496055999.db2.gz TXARAQXXDPVWNR-UHFFFAOYSA-N 2 0 364.578 3.346 20 0 FGADRP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC2CC[NH+](CC3CC3)CC2)C1 ZINC000171832824 496056123 /nfs/dbraw/zinc/05/61/23/496056123.db2.gz KFXBYJVHCGEQAA-KRWDZBQOSA-N 2 0 364.578 3.061 20 0 FGADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H]2CCc3ccc(OC(F)(F)F)cc32)CC1 ZINC000155755596 496057222 /nfs/dbraw/zinc/05/72/22/496057222.db2.gz JTNJPVVKIKJYQA-KSSFIOAISA-N 2 0 371.447 3.188 20 0 FGADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+][C@H]1CCc2ccc(OC(F)(F)F)cc21 ZINC000186591291 496060517 /nfs/dbraw/zinc/06/05/17/496060517.db2.gz BUDUFSBDYSXDLK-KSSFIOAISA-N 2 0 371.447 3.188 20 0 FGADRP CC(C)[NH+](CCC[NH2+][C@H](C)c1ccc(NS(C)(=O)=O)cc1)C(C)C ZINC000155827636 496080410 /nfs/dbraw/zinc/08/04/10/496080410.db2.gz SUXGHJKZGIQAJM-MRXNPFEDSA-N 2 0 355.548 3.218 20 0 FGADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000177511274 496091741 /nfs/dbraw/zinc/09/17/41/496091741.db2.gz XVUPBLWEEDJOPT-IBGZPJMESA-N 2 0 364.578 3.347 20 0 FGADRP CC(=O)Nc1cccc(C[NH+]2CCC(CC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)c1 ZINC000177510735 496092116 /nfs/dbraw/zinc/09/21/16/496092116.db2.gz AOQSZVQMPKUTKG-ROUUACIJSA-N 2 0 373.541 3.356 20 0 FGADRP COc1ccc([C@@H](C)[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)cc1Cn1cccn1 ZINC000152459244 496159343 /nfs/dbraw/zinc/15/93/43/496159343.db2.gz ICJUMWWAKYGFRW-IAGOWNOFSA-N 2 0 354.498 3.075 20 0 FGADRP CCC[N@H+](C)C[C@H]1CCN([C@@H](C)C(=O)Nc2cccc3ncccc32)C1 ZINC000174943060 496174218 /nfs/dbraw/zinc/17/42/18/496174218.db2.gz FYBQTYSZCNGQKR-DLBZAZTESA-N 2 0 354.498 3.226 20 0 FGADRP CCO[C@H]1C[C@@H]([NH2+]Cc2ccncc2OCC[NH+](C)C)C12CCCCC2 ZINC000574671668 505828769 /nfs/dbraw/zinc/82/87/69/505828769.db2.gz OMKQPBVLEBXBMH-UXHICEINSA-N 2 0 361.530 3.240 20 0 FGADRP C[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)C(C)(C)c1ccccc1 ZINC000177825683 496211162 /nfs/dbraw/zinc/21/11/62/496211162.db2.gz FTQRGDDJUIQXRT-SFHVURJKSA-N 2 0 352.526 3.289 20 0 FGADRP C[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)c1ccc2ccccc2n1 ZINC000177827873 496213251 /nfs/dbraw/zinc/21/32/51/496213251.db2.gz SVZHJXQXCBVUHP-QGZVFWFLSA-N 2 0 361.493 3.232 20 0 FGADRP COCCC1(C[NH+]2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)CCCCC1 ZINC000187196620 496334385 /nfs/dbraw/zinc/33/43/85/496334385.db2.gz IJLATQYJCCRVFT-HXUWFJFHSA-N 2 0 351.579 3.075 20 0 FGADRP C[C@@H](CCNC(=O)NC1CC[NH+](C(C)(C)C)CC1)[N@H+](C)Cc1ccccc1 ZINC000175348264 496349929 /nfs/dbraw/zinc/34/99/29/496349929.db2.gz UUAGBPMKDQZBNA-SFHVURJKSA-N 2 0 374.573 3.459 20 0 FGADRP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+][C@H]2CCO[C@@H](C3CC3)C2)CC1 ZINC000156861208 496350923 /nfs/dbraw/zinc/35/09/23/496350923.db2.gz VZLPVEPKJBXCFK-OXJNMPFZSA-N 2 0 363.933 3.139 20 0 FGADRP C[C@H](Cc1ccsc1)[NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000156889570 496356494 /nfs/dbraw/zinc/35/64/94/496356494.db2.gz KGUHHKJYZAXXEI-UZLBHIALSA-N 2 0 371.550 3.166 20 0 FGADRP Cc1nc(-c2ccccc2)sc1[C@H](C)[NH2+]CCCN1CC[NH+](C)CC1 ZINC000162550550 496372050 /nfs/dbraw/zinc/37/20/50/496372050.db2.gz WXCIFCIABRJRLD-INIZCTEOSA-N 2 0 358.555 3.407 20 0 FGADRP Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+]C[C@H](C)CN1CCOCC1 ZINC000153250058 496396673 /nfs/dbraw/zinc/39/66/73/496396673.db2.gz WTFUORGJMGLXEA-GJZGRUSLSA-N 2 0 360.527 3.132 20 0 FGADRP CCS(=O)(=O)c1c(Cl)cccc1C[NH2+]C1CCC(C[NH+](C)C)CC1 ZINC000187332863 496397422 /nfs/dbraw/zinc/39/74/22/496397422.db2.gz NMNKPOSNVKQOHV-UHFFFAOYSA-N 2 0 372.962 3.344 20 0 FGADRP CCO[C@@H]1C[C@H]([NH2+]CCCC[NH+]2CCN(CC)CC2)C12CCCCC2 ZINC000181493649 496418343 /nfs/dbraw/zinc/41/83/43/496418343.db2.gz UKLKEPALCIUXRW-VQTJNVASSA-N 2 0 351.579 3.122 20 0 FGADRP C[C@@H]1C[NH+](CCCC[NH2+]C2CCN(CCc3ccccc3)CC2)C[C@@H](C)O1 ZINC000162848714 496423340 /nfs/dbraw/zinc/42/33/40/496423340.db2.gz LCWSSZRXXQBCJL-NHCUHLMSSA-N 2 0 373.585 3.173 20 0 FGADRP C[C@]1(CO)CCC[NH+]1Cc1cc(Cl)cc(C[N@H+]2CCC[C@]2(C)CO)c1 ZINC000578025976 505844522 /nfs/dbraw/zinc/84/45/22/505844522.db2.gz LKDTTZQBBMVUPU-WOJBJXKFSA-N 2 0 366.933 3.034 20 0 FGADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)NC2CC[NH+](C3CCCC3)CC2)C1 ZINC000175614033 496465477 /nfs/dbraw/zinc/46/54/77/496465477.db2.gz UUBHIPNKUXHOCZ-GOSISDBHSA-N 2 0 364.578 3.205 20 0 FGADRP C[C@@H]1CCC[N@H+](CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)[C@@H]1C ZINC000172864372 496465965 /nfs/dbraw/zinc/46/59/65/496465965.db2.gz XFKCAMIANUQWPH-IAGOWNOFSA-N 2 0 361.555 3.294 20 0 FGADRP C[C@H](CCNC(=O)N1CC[C@H](C[NH+]2CCCC2)C1)[N@H+](C)Cc1ccccc1 ZINC000175632727 496473918 /nfs/dbraw/zinc/47/39/18/496473918.db2.gz QPMXMEOFRVVTHF-TZIWHRDSSA-N 2 0 372.557 3.024 20 0 FGADRP C[C@H](CCNC(=O)N1CCC[C@@H]1C[NH+]1CCCC1)[N@H+](C)Cc1ccccc1 ZINC000175631444 496474341 /nfs/dbraw/zinc/47/43/41/496474341.db2.gz OOWSRDOBLLZGHY-TZIWHRDSSA-N 2 0 372.557 3.167 20 0 FGADRP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](Cc2cc3ccccc3o2)CC1 ZINC000178539946 496492274 /nfs/dbraw/zinc/49/22/74/496492274.db2.gz GTUQWNHHKFKUNM-UHFFFAOYSA-N 2 0 371.525 3.349 20 0 FGADRP O=C1c2ccccc2C(=O)N1CCCC[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000157514880 496492845 /nfs/dbraw/zinc/49/28/45/496492845.db2.gz ADTQXCXNPAGMEC-GOSISDBHSA-N 2 0 369.509 3.013 20 0 FGADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)CC(=O)Nc2ccc(OC(F)(F)F)cc2)C1 ZINC000163296900 496494986 /nfs/dbraw/zinc/49/49/86/496494986.db2.gz FQSAUKYRORGUPS-UONOGXRCSA-N 2 0 373.419 3.234 20 0 FGADRP C[C@H](Cn1cc(Br)cn1)[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000157534654 496498219 /nfs/dbraw/zinc/49/82/19/496498219.db2.gz LXCCSMXMNOSPOX-CQSZACIVSA-N 2 0 369.351 3.421 20 0 FGADRP Cc1cccc(N2CC[NH+](CCCC[NH2+][C@@H](C)CCn3cccn3)CC2)c1 ZINC000157543428 496500938 /nfs/dbraw/zinc/50/09/38/496500938.db2.gz XDIZFARTHHVJMB-NRFANRHFSA-N 2 0 369.557 3.162 20 0 FGADRP CC(C)(C)NC(=O)C[NH+]1CCC(C[NH2+][C@@H]2CCCc3ccccc32)CC1 ZINC000163538547 496529562 /nfs/dbraw/zinc/52/95/62/496529562.db2.gz JXBXJSBECJZBBD-HXUWFJFHSA-N 2 0 357.542 3.280 20 0 FGADRP O=C(Nc1ccc2c(c1)C[NH2+]CC2)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000578048849 505849772 /nfs/dbraw/zinc/84/97/72/505849772.db2.gz SGQBPSYNCJGKOI-NRFANRHFSA-N 2 0 364.493 3.118 20 0 FGADRP CC(C)CC[NH+]1CCC(C[NH2+]C2CCN(C(=O)c3ccco3)CC2)CC1 ZINC000163602829 496537767 /nfs/dbraw/zinc/53/77/67/496537767.db2.gz MGFYTELJUCVXHJ-UHFFFAOYSA-N 2 0 361.530 3.232 20 0 FGADRP C[C@H](CCNC(=O)NCCCC[NH+]1CCC(C)CC1)[NH+]1CCCCC1 ZINC000184843321 496553901 /nfs/dbraw/zinc/55/39/01/496553901.db2.gz UNSXXOALWIGDBW-LJQANCHMSA-N 2 0 352.567 3.062 20 0 FGADRP CC[C@@H]1CN(C(=O)c2ccc(C[NH+](C)C)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000184918178 496583699 /nfs/dbraw/zinc/58/36/99/496583699.db2.gz UGWQTIQLMRGGKZ-JOCHJYFZSA-N 2 0 365.521 3.485 20 0 FGADRP CC[NH+](CC)C[C@H]1CCN(C(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000164250987 496598690 /nfs/dbraw/zinc/59/86/90/496598690.db2.gz KXNDJZFGPDCKJS-OAQYLSRUSA-N 2 0 371.569 3.479 20 0 FGADRP CC[NH+](CC)[C@H]1CCN(C(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000164277412 496600973 /nfs/dbraw/zinc/60/09/73/496600973.db2.gz KMHHWKXGJOQQMG-FQEVSTJZSA-N 2 0 357.542 3.231 20 0 FGADRP CCC[N@@H+]1CC[C@@H](CNC(=O)N(Cc2ccccc2)C2CC[NH+](C)CC2)C1 ZINC000175967416 496621804 /nfs/dbraw/zinc/62/18/04/496621804.db2.gz VCRMYLGRWIKKTD-FQEVSTJZSA-N 2 0 372.557 3.024 20 0 FGADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(Cc2ccc(F)c3cccnc23)CC1 ZINC000153921659 496624514 /nfs/dbraw/zinc/62/45/14/496624514.db2.gz DTTVGRIYPMGHSN-HDICACEKSA-N 2 0 370.516 3.364 20 0 FGADRP C[C@@H]1CCCC[N@H+](CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)C1 ZINC000187948319 496627828 /nfs/dbraw/zinc/62/78/28/496627828.db2.gz OXDIODKPQLVXSS-QGZVFWFLSA-N 2 0 361.555 3.296 20 0 FGADRP C[NH+](C)[C@H]1CCC[C@H](NC(=O)NCC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000175997303 496636345 /nfs/dbraw/zinc/63/63/45/496636345.db2.gz WSEXSKGMTQHRIZ-SFTDATJTSA-N 2 0 372.557 3.071 20 0 FGADRP O=C([C@@H]1CCCC[N@@H+]1Cc1ccccc1)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000173310957 496637604 /nfs/dbraw/zinc/63/76/04/496637604.db2.gz SCQLRMZBTRYQRB-YADHBBJMSA-N 2 0 369.553 3.376 20 0 FGADRP C[C@@H]([NH2+][C@@H](C)c1ccccc1)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000182030999 496641484 /nfs/dbraw/zinc/64/14/84/496641484.db2.gz XVGIDGCSTIRONA-UEXGIBASSA-N 2 0 351.494 3.116 20 0 FGADRP C[C@H](Cn1cc(Br)cn1)[NH2+]CCCC[NH+]1CCC(C)CC1 ZINC000158182663 496644694 /nfs/dbraw/zinc/64/46/94/496644694.db2.gz KRXDKXRTFFFCGW-OAHLLOKOSA-N 2 0 357.340 3.136 20 0 FGADRP C[C@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)c1sccc1Br ZINC000571965478 505856919 /nfs/dbraw/zinc/85/69/19/505856919.db2.gz VKBYOSOCRBJXLH-LBPRGKRZSA-N 2 0 360.365 3.187 20 0 FGADRP OC[C@@H](Cc1ccccc1)[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000158193575 496647594 /nfs/dbraw/zinc/64/75/94/496647594.db2.gz ZAOOYBFBWIMFTH-GSPCLOLRSA-N 2 0 350.506 3.090 20 0 FGADRP CC(C)[N@@H+](C)C[C@H](C)NC(=O)NCC[C@@H]1C[C@H](C)[NH+](Cc2ccccc2)C1 ZINC000571967971 505857533 /nfs/dbraw/zinc/85/75/33/505857533.db2.gz QLDYKGDXKBDXKH-IRFCIJBXSA-N 2 0 374.573 3.315 20 0 FGADRP CSCC[C@@H]([NH3+])C(=O)NCc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000165885257 496671082 /nfs/dbraw/zinc/67/10/82/496671082.db2.gz OMVXPZGKKGMLGW-LJQANCHMSA-N 2 0 363.571 3.148 20 0 FGADRP CC1(C)[C@H]([NH2+]CCc2ccc(OCC[NH+]3CCCC3)cc2)[C@@H]2CCCO[C@@H]21 ZINC000182110283 496673275 /nfs/dbraw/zinc/67/32/75/496673275.db2.gz IXSPJWNRIUFYGE-BDTNDASRSA-N 2 0 372.553 3.497 20 0 FGADRP C[C@@H]1C[C@H](N(C)C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)CC[N@@H+]1C ZINC000173416624 496683787 /nfs/dbraw/zinc/68/37/87/496683787.db2.gz BTWJFCHXTIWBPA-ZACQAIPSSA-N 2 0 364.559 3.009 20 0 FGADRP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)Nc1cccc(-c2nccn2C)c1 ZINC000176106591 496685641 /nfs/dbraw/zinc/68/56/41/496685641.db2.gz CSGKOFKJNMLOGS-SFHVURJKSA-N 2 0 355.486 3.425 20 0 FGADRP C[C@H]([NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1)c1ccccc1 ZINC000173427157 496688847 /nfs/dbraw/zinc/68/88/47/496688847.db2.gz SSBBEAPFPPQAOZ-SFHVURJKSA-N 2 0 351.494 3.363 20 0 FGADRP C[NH+](C)[C@H](CNC(=O)NC1CC[NH+](C2CCCCC2)CC1)c1ccccc1 ZINC000176138625 496700065 /nfs/dbraw/zinc/70/00/65/496700065.db2.gz YSRAPUBIRKSYHO-OAQYLSRUSA-N 2 0 372.557 3.386 20 0 FGADRP O=C(CC[NH2+][C@H](Cc1ccccc1Cl)c1ccccc1)N1CC[NH2+]CC1 ZINC000574811139 505860451 /nfs/dbraw/zinc/86/04/51/505860451.db2.gz AVJJBJHKCPXLGC-HXUWFJFHSA-N 2 0 371.912 3.035 20 0 FGADRP CC(C)O[C@H]1C[C@@H]([NH2+]CC2(N3CCCCC3)CC[NH+](C)CC2)C1(C)C ZINC000185231722 496712156 /nfs/dbraw/zinc/71/21/56/496712156.db2.gz UECNWTYHAVJRHP-MOPGFXCFSA-N 2 0 351.579 3.118 20 0 FGADRP O[C@H](C[NH2+]C1CC[NH+](C2CCCCC2)CC1)COCc1ccccc1F ZINC000580888254 505861731 /nfs/dbraw/zinc/86/17/31/505861731.db2.gz KFVAKYDIZZQOOQ-HXUWFJFHSA-N 2 0 364.505 3.090 20 0 FGADRP COc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1cccnc1N1CC[NH+](C)CC1 ZINC000158519463 496718003 /nfs/dbraw/zinc/71/80/03/496718003.db2.gz MLBKVELPYVMVSW-OAQYLSRUSA-N 2 0 366.509 3.009 20 0 FGADRP COc1ccc(OC)c([C@@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CC[C@H](O)C2)c1 ZINC000182263609 496722814 /nfs/dbraw/zinc/72/28/14/496722814.db2.gz VHWWHPVRSBWOKM-APWZRJJASA-N 2 0 370.493 3.121 20 0 FGADRP C[C@H](C[NH2+]Cc1c(Cl)cccc1N1CC[NH+](C)CC1)c1nccs1 ZINC000185305736 496727054 /nfs/dbraw/zinc/72/70/54/496727054.db2.gz XLZJPEZAHHABTP-CQSZACIVSA-N 2 0 364.946 3.442 20 0 FGADRP C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)N(C)CCC[NH+](C)C)cc2)C1 ZINC000185320176 496728607 /nfs/dbraw/zinc/72/86/07/496728607.db2.gz FADTYEFJASSDPN-GOSISDBHSA-N 2 0 360.546 3.012 20 0 FGADRP CCS(=O)(=O)C[C@H](C)[NH2+]Cc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000182331507 496730009 /nfs/dbraw/zinc/73/00/09/496730009.db2.gz PIZIFUYJPDQZTO-KRWDZBQOSA-N 2 0 374.550 3.328 20 0 FGADRP CC(C)[N@H+](C)CCNC(=O)N1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000246949515 496732404 /nfs/dbraw/zinc/73/24/04/496732404.db2.gz IGZLBRKJVFJBTK-SFTDATJTSA-N 2 0 372.557 3.023 20 0 FGADRP CC(C)[N@H+](C)CCNC(=O)N1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000246949502 496732463 /nfs/dbraw/zinc/73/24/63/496732463.db2.gz IGZLBRKJVFJBTK-LEWJYISDSA-N 2 0 372.557 3.023 20 0 FGADRP CSc1ccccc1[C@H](C)[NH2+]Cc1cccnc1N1CC[NH+](C)CC1 ZINC000194868623 496742547 /nfs/dbraw/zinc/74/25/47/496742547.db2.gz ZFTZHYYZZWPRRE-INIZCTEOSA-N 2 0 356.539 3.406 20 0 FGADRP CC(C)[NH+]1CCN(CCC[N@H+](C)Cc2ccc(Br)cc2)CC1 ZINC000191406015 496752497 /nfs/dbraw/zinc/75/24/97/496752497.db2.gz ZUQWIYHPEJPRHL-UHFFFAOYSA-N 2 0 368.363 3.297 20 0 FGADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H](C)CC(=O)Nc2cccc(Br)c2)C1 ZINC000247049135 496762811 /nfs/dbraw/zinc/76/28/11/496762811.db2.gz NCVOCKZDCSRQAS-ZIAGYGMSSA-N 2 0 368.319 3.098 20 0 FGADRP Cc1ncc([C@@H](C)[NH2+]CCCN2CC[N@H+](C)C[C@H]2c2ccccc2)c(C)n1 ZINC000268784387 496784750 /nfs/dbraw/zinc/78/47/50/496784750.db2.gz AWUNYDMIWHHNOA-VGSWGCGISA-N 2 0 367.541 3.123 20 0 FGADRP C[C@@H]([NH2+]CCS(=O)(=O)Cc1ccccc1)c1ccc(-n2ccnc2)cc1 ZINC000268816306 496793038 /nfs/dbraw/zinc/79/30/38/496793038.db2.gz QBWJCEAMPDYFDB-QGZVFWFLSA-N 2 0 369.490 3.138 20 0 FGADRP C[C@@H](CNC(=O)c1ccccc1CC1CC[NH2+]CC1)[N@@H+]1CCCC[C@@H]1C ZINC000572003946 505867251 /nfs/dbraw/zinc/86/72/51/505867251.db2.gz SKFVRWUXVBYAOU-ROUUACIJSA-N 2 0 357.542 3.221 20 0 FGADRP COc1cc([C@H](C)[NH2+]CCCC[N@@H+]2CCC[C@H]2CO)ccc1SC ZINC000268924516 496825364 /nfs/dbraw/zinc/82/53/64/496825364.db2.gz PMKDORPTRLEFFK-RDJZCZTQSA-N 2 0 352.544 3.305 20 0 FGADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)c3ccc(C[NH+]4CCCCC4)cc3)CC[C@H]21 ZINC000268972593 496839053 /nfs/dbraw/zinc/83/90/53/496839053.db2.gz ATZFHJXLBGEYST-NHCUHLMSSA-N 2 0 355.526 3.229 20 0 FGADRP C[C@H]([NH2+]C[C@@H](CCO)c1ccccc1)c1cccc(OCC[NH+](C)C)c1 ZINC000268993709 496844461 /nfs/dbraw/zinc/84/44/61/496844461.db2.gz NELJUZCSCDWSAD-GHTZIAJQSA-N 2 0 356.510 3.444 20 0 FGADRP CCC[N@H+](C)C[C@@H]1CC[NH+](C[C@@H](O)CO[C@@H](C)c2ccc(Cl)cc2)C1 ZINC000247401190 496851871 /nfs/dbraw/zinc/85/18/71/496851871.db2.gz XHRIIOYZKGPJEU-ABSDTBQOSA-N 2 0 368.949 3.442 20 0 FGADRP C[NH+](C)CCNC(=O)C1CC[NH+](Cc2ccc(-c3ccsc3)cc2)CC1 ZINC000277688098 496853888 /nfs/dbraw/zinc/85/38/88/496853888.db2.gz LBMOLCZHDIMMQH-UHFFFAOYSA-N 2 0 371.550 3.305 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)NC2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC000247459887 496863367 /nfs/dbraw/zinc/86/33/67/496863367.db2.gz QJQRPXAVIHSRJL-IQWRZIDRSA-N 2 0 364.578 3.059 20 0 FGADRP Cc1ccc([C@H](CNC(=O)N[C@@H](C)C[NH+]2CCCCC2)[NH+]2CCCC2)cc1 ZINC000195746437 496963889 /nfs/dbraw/zinc/96/38/89/496963889.db2.gz AQEIPXCERJYYFD-FPOVZHCZSA-N 2 0 372.557 3.306 20 0 FGADRP Cc1ncc2n1C[C@H](C(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1)CC2 ZINC000580955219 505876718 /nfs/dbraw/zinc/87/67/18/505876718.db2.gz RJFVSNPPSFGEAA-FRQCXROJSA-N 2 0 372.538 3.015 20 0 FGADRP O[C@@H]1CC[N@H+](Cc2ccccc2C[NH2+][C@@H]2CSCCc3ccccc32)C1 ZINC000248461021 497020264 /nfs/dbraw/zinc/02/02/64/497020264.db2.gz XCLNYNYZRHUAKE-IFMALSPDSA-N 2 0 368.546 3.373 20 0 FGADRP COc1ccc2c(c1)[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1)CC2 ZINC000248462198 497020794 /nfs/dbraw/zinc/02/07/94/497020794.db2.gz YCYINRHXEIOXJY-DENIHFKCSA-N 2 0 352.478 3.039 20 0 FGADRP C[C@@H](CCNC(=O)N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)[NH+]1CCCCC1 ZINC000248506724 497028380 /nfs/dbraw/zinc/02/83/80/497028380.db2.gz WYLSDCXZSJXTIA-FHWLQOOXSA-N 2 0 364.578 3.203 20 0 FGADRP Cc1cccn2c(=O)cc(CN3CCC[C@@H](C[N@H+]4CCCC[C@H]4C)C3)nc12 ZINC000265006905 497030459 /nfs/dbraw/zinc/03/04/59/497030459.db2.gz FCRJVVYWKQIOCN-RTBURBONSA-N 2 0 368.525 3.089 20 0 FGADRP CC(C)C[N@@H+]1CC[C@H](C[NH2+]C[C@@H](O)COc2ccccc2C(F)(F)F)C1 ZINC000569213747 505880356 /nfs/dbraw/zinc/88/03/56/505880356.db2.gz AYOXUFVFSYGOEH-HZPDHXFCSA-N 2 0 374.447 3.013 20 0 FGADRP O=C(NCC[NH+]1CCCC1)c1ccc(C[NH2+][C@H]2CCC23CCCC3)cc1 ZINC000189168446 497031361 /nfs/dbraw/zinc/03/13/61/497031361.db2.gz WZIZBXDNYPZYBH-FQEVSTJZSA-N 2 0 355.526 3.325 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)[C@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)[C@@H](C)C1 ZINC000248735009 497092473 /nfs/dbraw/zinc/09/24/73/497092473.db2.gz KPOSKXDUMGEBTJ-KKXDTOCCSA-N 2 0 367.896 3.247 20 0 FGADRP Cc1cccc(NC[C@@H]2CC[N@@H+]([C@H]3CCc4ccccc4NC3=O)C2)[nH+]1 ZINC000248826710 497111320 /nfs/dbraw/zinc/11/13/20/497111320.db2.gz HEQKBBJHNWOEGI-LPHOPBHVSA-N 2 0 350.466 3.077 20 0 FGADRP CCOC(=O)N1CC[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000248828297 497112404 /nfs/dbraw/zinc/11/24/04/497112404.db2.gz GTSPNQWSAKCTJB-LWYYNNOASA-N 2 0 357.498 3.002 20 0 FGADRP C[C@@H](c1cccc(NC(=O)NCC[N@H+](C)C2CCCC2)c1)N1CCOCC1 ZINC000265411526 497114651 /nfs/dbraw/zinc/11/46/51/497114651.db2.gz UOYWXRSWRJQMTJ-KRWDZBQOSA-N 2 0 374.529 3.076 20 0 FGADRP COc1cccc2c1CC[C@H]([NH2+]CC1(N3CCCCC3)CC[NH+](C)CC1)C2 ZINC000192443713 497116692 /nfs/dbraw/zinc/11/66/92/497116692.db2.gz CZKDONIZDKFKHL-FQEVSTJZSA-N 2 0 371.569 3.092 20 0 FGADRP CC1(C)CN(C(=O)C[C@@H]([NH3+])c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000236635222 497124558 /nfs/dbraw/zinc/12/45/58/497124558.db2.gz XXVNBXBNJANOKF-HXUWFJFHSA-N 2 0 351.494 3.200 20 0 FGADRP C[C@@H]1C[C@@H](NCCC[NH+]2CCCO[C@H](C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000278472175 497126063 /nfs/dbraw/zinc/12/60/63/497126063.db2.gz JURMOCJZIAWDDK-SJBKTWHCSA-N 2 0 359.558 3.130 20 0 FGADRP CC(C)(CNC(=O)C[C@H]([NH3+])c1ccccc1)[N@@H+]1CCc2ccccc2C1 ZINC000236659901 497128870 /nfs/dbraw/zinc/12/88/70/497128870.db2.gz KIRACDLGQDBTSI-FQEVSTJZSA-N 2 0 351.494 3.030 20 0 FGADRP CC(C)[C@@H](CNC(=O)C[C@H]([NH3+])c1ccccc1)[N@@H+]1CCc2ccccc2C1 ZINC000236682344 497132057 /nfs/dbraw/zinc/13/20/57/497132057.db2.gz RLOASTBZRFSCAT-FCHUYYIVSA-N 2 0 365.521 3.276 20 0 FGADRP CCC[NH+]1CCN(c2ccccc2CN[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000236804302 497148813 /nfs/dbraw/zinc/14/88/13/497148813.db2.gz ADZOPEXJRWMQOZ-SFTDATJTSA-N 2 0 358.574 3.181 20 0 FGADRP C[NH+](C)Cc1c2ccccc2oc1C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000278549255 497151040 /nfs/dbraw/zinc/15/10/40/497151040.db2.gz PDHGYINAGPRVSP-UHFFFAOYSA-N 2 0 355.482 3.099 20 0 FGADRP C[C@@H]([NH2+]CCc1cn2c(n1)SCC2)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274763061 497159577 /nfs/dbraw/zinc/15/95/77/497159577.db2.gz KQRDDBCHZZVSJI-AEFFLSMTSA-N 2 0 356.539 3.032 20 0 FGADRP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000236896014 497165041 /nfs/dbraw/zinc/16/50/41/497165041.db2.gz DLWSUVZNWYFIJR-MLNNCEHLSA-N 2 0 369.553 3.278 20 0 FGADRP CC[C@@H](C)[C@H]([NH3+])C(=O)NC1CCN(Cc2cccc(C(F)(F)F)c2)CC1 ZINC000236914664 497167635 /nfs/dbraw/zinc/16/76/35/497167635.db2.gz WMNUGIDHBFTEEG-DYVFJYSZSA-N 2 0 371.447 3.159 20 0 FGADRP CC(C)(C)c1ccc([C@@H]2CCCN2C(=O)CN2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000581011798 505890140 /nfs/dbraw/zinc/89/01/40/505890140.db2.gz KCHWZBSONUSMBI-ZVDOUQERSA-N 2 0 369.553 3.189 20 0 FGADRP CC[NH+](CC)Cc1ccccc1CNC(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000189642183 497192069 /nfs/dbraw/zinc/19/20/69/497192069.db2.gz JQGFYGSNZNZNDU-UHFFFAOYSA-N 2 0 360.546 3.154 20 0 FGADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CC[C@@H](OCCCc3ccccc3)C2)CC1 ZINC000192754562 497204862 /nfs/dbraw/zinc/20/48/62/497204862.db2.gz UMJFCYQNZPNMDC-HSZRJFAPSA-N 2 0 373.585 3.126 20 0 FGADRP CCC[N@H+](CC)Cc1ccc(C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000265951392 497216143 /nfs/dbraw/zinc/21/61/43/497216143.db2.gz DVUZUEIHFCCEAX-HXUWFJFHSA-N 2 0 357.542 3.476 20 0 FGADRP CCC[N@H+](CC)Cc1ccc(C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000265951391 497216317 /nfs/dbraw/zinc/21/63/17/497216317.db2.gz DVUZUEIHFCCEAX-FQEVSTJZSA-N 2 0 357.542 3.476 20 0 FGADRP Cc1cccc(C)c1OCC[NH+]1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC000270879083 497220494 /nfs/dbraw/zinc/22/04/94/497220494.db2.gz KBJYHVHSVWRQGW-UHFFFAOYSA-N 2 0 359.558 3.173 20 0 FGADRP CC[C@@](C)(O)C[N@H+](CCCN1CC[NH+](C(C)C)CC1)Cc1ccccc1 ZINC000192841667 497227540 /nfs/dbraw/zinc/22/75/40/497227540.db2.gz XEPYHUPNKLCSNF-JOCHJYFZSA-N 2 0 361.574 3.066 20 0 FGADRP C[C@H](C(=O)NCC(C)(C)[N@@H+]1CCc2ccccc2C1)[C@@H]([NH3+])c1ccccc1 ZINC000237428831 497235186 /nfs/dbraw/zinc/23/51/86/497235186.db2.gz UNQGDWOERATGLM-LAUBAEHRSA-N 2 0 365.521 3.276 20 0 FGADRP C[C@@H](Cc1ccc(Br)cc1)[NH2+]CCCC[N@@H+]1CCC[C@H]1CO ZINC000249710876 497235722 /nfs/dbraw/zinc/23/57/22/497235722.db2.gz YDANRJTYZKXVKF-YJBOKZPZSA-N 2 0 369.347 3.207 20 0 FGADRP C[C@H](C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1)[C@@H]([NH3+])c1ccccc1 ZINC000237444866 497237811 /nfs/dbraw/zinc/23/78/11/497237811.db2.gz UFPAQFYMNKXJNE-VDZJLULYSA-N 2 0 357.523 3.337 20 0 FGADRP C[C@H](CC(=O)N(C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1)C1CC[NH2+]CC1 ZINC000237503627 497247745 /nfs/dbraw/zinc/24/77/45/497247745.db2.gz ISZUQKCLBIHTRT-WIYYLYMNSA-N 2 0 357.542 3.135 20 0 FGADRP c1ccc(C[N@H+]2CC[C@@H](C[NH2+]Cc3ccccc3N3CCOCC3)C2)cc1 ZINC000192934428 497250702 /nfs/dbraw/zinc/25/07/02/497250702.db2.gz WZNUBUJMYLKXBI-NRFANRHFSA-N 2 0 365.521 3.135 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)[C@@H]3CC34CC[NH2+]CC4)cc2)C1 ZINC000237557492 497254792 /nfs/dbraw/zinc/25/47/92/497254792.db2.gz SQSQOZJCTPZOJQ-UEXGIBASSA-N 2 0 369.553 3.170 20 0 FGADRP C[C@H](CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C1CC[NH2+]CC1 ZINC000237596082 497261456 /nfs/dbraw/zinc/26/14/56/497261456.db2.gz URTOMELVPKFWKF-AMZGXZFVSA-N 2 0 369.553 3.324 20 0 FGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCCC[NH+]1Cc1ccccc1 ZINC000250777464 497270233 /nfs/dbraw/zinc/27/02/33/497270233.db2.gz VPBBOICFRQISAP-NHCUHLMSSA-N 2 0 357.542 3.420 20 0 FGADRP C[C@H](CC(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1)C1CC[NH2+]CC1 ZINC000237659008 497271132 /nfs/dbraw/zinc/27/11/32/497271132.db2.gz RVTPSSBTLGXKGN-IAGOWNOFSA-N 2 0 363.571 3.102 20 0 FGADRP C[C@@H]1C[C@@H](N(C)C(=O)NC[C@@]2(C)CCC[NH+]2Cc2ccccc2)CC[N@@H+]1C ZINC000251720176 497283523 /nfs/dbraw/zinc/28/35/23/497283523.db2.gz LMNWPUAMYMLKAY-KAGYGMCKSA-N 2 0 372.557 3.165 20 0 FGADRP CCC(CC)[C@H](CNC(=O)NC1CC[NH+](C(C)C)CC1)[NH+]1CCCC1 ZINC000193132894 497310287 /nfs/dbraw/zinc/31/02/87/497310287.db2.gz IKNYVBAPSIPZQO-IBGZPJMESA-N 2 0 352.567 3.059 20 0 FGADRP C[NH+](C)[C@H](CNC(=O)N1CCC(C[NH+]2CCCC2)CC1)C1CCCCC1 ZINC000193470901 497388953 /nfs/dbraw/zinc/38/89/53/497388953.db2.gz FKVPWMDOJICUAI-HXUWFJFHSA-N 2 0 364.578 3.014 20 0 FGADRP CC(C)[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)CC1 ZINC000245417811 497395954 /nfs/dbraw/zinc/39/59/54/497395954.db2.gz GIAIVFPDWIFOIA-PKOBYXMFSA-N 2 0 363.571 3.368 20 0 FGADRP CCN(CCC[NH+](CC)CC)C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000190202107 497396947 /nfs/dbraw/zinc/39/69/47/497396947.db2.gz NCRMYPQVSSWAFG-UHFFFAOYSA-N 2 0 352.567 3.157 20 0 FGADRP CCCN(CCC[NH+](C)C)C(=O)N[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000190211822 497401298 /nfs/dbraw/zinc/40/12/98/497401298.db2.gz UPTHUHFDENMWNO-MSOLQXFVSA-N 2 0 352.567 3.013 20 0 FGADRP C[C@H](NC(=O)C[C@H]([NH3+])c1ccccc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261573987 497415454 /nfs/dbraw/zinc/41/54/54/497415454.db2.gz AXSSDISZINDFGF-WMQCIHAUSA-N 2 0 351.494 3.103 20 0 FGADRP c1cc(C[NH+]2CCCCC2)cc(-c2noc([C@@]34CCC[C@@H]3C[NH2+]C4)n2)c1 ZINC000261606751 497417628 /nfs/dbraw/zinc/41/76/28/497417628.db2.gz AEKHKBILEULYDG-WIYYLYMNSA-N 2 0 352.482 3.364 20 0 FGADRP CC[NH+](CC)Cc1cccc(CNC(=O)NC2CC[NH+](CC3CC3)CC2)c1 ZINC000193683663 497446279 /nfs/dbraw/zinc/44/62/79/497446279.db2.gz VDXISXVMIVXGJN-UHFFFAOYSA-N 2 0 372.557 3.202 20 0 FGADRP C[NH+](C)Cc1cccc(NC(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)c1 ZINC000245619026 497476199 /nfs/dbraw/zinc/47/61/99/497476199.db2.gz DPEFMSKINHCSCZ-WOJBJXKFSA-N 2 0 352.482 3.315 20 0 FGADRP C[NH2+]CCC1CC[NH+]([C@H](C)C(=O)N[C@H](C)c2ccc(Cl)cc2)CC1 ZINC000261977585 497486772 /nfs/dbraw/zinc/48/67/72/497486772.db2.gz GQEOVIPNVFZDNA-HUUCEWRRSA-N 2 0 351.922 3.227 20 0 FGADRP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]CCCOC[C@H]2CCOC2)C3)cc1 ZINC000245717310 497515231 /nfs/dbraw/zinc/51/52/31/497515231.db2.gz OFAUYXBMWHFLRH-YUMYIRISSA-N 2 0 358.526 3.215 20 0 FGADRP CCn1c2ccccc2c2cc(C[N@@H+]3CC[C@H](N4CC[NH2+]CC4)C3)ccc21 ZINC000262166920 497519413 /nfs/dbraw/zinc/51/94/13/497519413.db2.gz UKUAEOOSFBMFAH-IBGZPJMESA-N 2 0 362.521 3.294 20 0 FGADRP O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000262193649 497522649 /nfs/dbraw/zinc/52/26/49/497522649.db2.gz IGXKPOVSHQSWSS-NJYVYQBISA-N 2 0 355.526 3.209 20 0 FGADRP C[C@H]1C[C@H](NC(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000262261726 497531265 /nfs/dbraw/zinc/53/12/65/497531265.db2.gz JLXOJAMMAFNCGQ-OYXUHDIQSA-N 2 0 369.553 3.309 20 0 FGADRP C[C@@H](CCc1ccc(C(F)(F)F)cc1)[NH2+]C[C@H](C)N1CC[NH+](C)CC1 ZINC000193981934 497539019 /nfs/dbraw/zinc/53/90/19/497539019.db2.gz QFLBWADUCSYPKR-HOTGVXAUSA-N 2 0 357.464 3.252 20 0 FGADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H]1CCc2ccc(Br)cc21 ZINC000193989564 497541160 /nfs/dbraw/zinc/54/11/60/497541160.db2.gz HSNRGFIZDRQCCL-NVXWUHKLSA-N 2 0 355.320 3.383 20 0 FGADRP C[NH+](C)CCn1ccc2ccc(NC(=O)C3C[C@H]4CCC[C@@H](C3)C4[NH3+])cc21 ZINC000262347829 497543037 /nfs/dbraw/zinc/54/30/37/497543037.db2.gz ISICYBOZFAAHCT-JOIKAWEESA-N 2 0 368.525 3.295 20 0 FGADRP COCCN(C)c1ccc(C[NH2+]Cc2cccc(C[NH+]3CCCC3)c2)cn1 ZINC000190727682 497587357 /nfs/dbraw/zinc/58/73/57/497587357.db2.gz NDQMFPJROMIINZ-UHFFFAOYSA-N 2 0 368.525 3.050 20 0 FGADRP C[C@@H]1CCC[C@@](CNC(=O)NC2CC[NH+](C(C)(C)C)CC2)([NH+](C)C)C1 ZINC000194160148 497590285 /nfs/dbraw/zinc/59/02/85/497590285.db2.gz COQKVZJBWDUGHK-OXQOHEQNSA-N 2 0 352.567 3.059 20 0 FGADRP [NH3+]CCCCCCC(=O)Nc1ccc(NC(=O)C[NH+]2CCCCCC2)cc1 ZINC000262677083 497598496 /nfs/dbraw/zinc/59/84/96/497598496.db2.gz TUUQPIAMJZCBSU-UHFFFAOYSA-N 2 0 374.529 3.349 20 0 FGADRP COC(=O)N1CCC([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC000272384259 497613936 /nfs/dbraw/zinc/61/39/36/497613936.db2.gz FTQXQOVYDIKZFX-ACDBMABISA-N 2 0 357.498 3.002 20 0 FGADRP Cc1cccc(NC[C@@H]2CC[N@@H+]([C@H](C)C(=O)NC3CCC(C)CC3)C2)[nH+]1 ZINC000246086513 497617450 /nfs/dbraw/zinc/61/74/50/497617450.db2.gz FIVFKVBQJAVUDN-BEVRRMAYSA-N 2 0 358.530 3.207 20 0 FGADRP C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)C2CC[NH+](C3CC3)CC2)C1 ZINC000194270089 497618918 /nfs/dbraw/zinc/61/89/18/497618918.db2.gz YAWNDRFBRCWDJO-SFHVURJKSA-N 2 0 369.553 3.409 20 0 FGADRP CCO[C@@H]1C[C@]([NH3+])(C(=O)Nc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)C1(C)C ZINC000262803823 497625187 /nfs/dbraw/zinc/62/51/87/497625187.db2.gz SADPGGGOMOHIBL-NBCNXNJRSA-N 2 0 373.541 3.390 20 0 FGADRP COC(=O)c1ccc(CN(C)[C@@H]2CC[N@H+](C)C[C@H]2C)c(Br)c1 ZINC000575095723 505919962 /nfs/dbraw/zinc/91/99/62/505919962.db2.gz SAPGGJXWADXMBE-MLGOLLRUSA-N 2 0 369.303 3.008 20 0 FGADRP Cc1ccc([C@@H]([NH2+]CCCC[NH+](C)C)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000272522224 497650711 /nfs/dbraw/zinc/65/07/11/497650711.db2.gz YJFLRZOXEATOIE-OAQYLSRUSA-N 2 0 374.550 3.419 20 0 FGADRP C[C@@H]([NH2+]CCNC(=O)c1ccccc1F)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272529240 497652813 /nfs/dbraw/zinc/65/28/13/497652813.db2.gz AIIJNQRUSDOVKH-MJGOQNOKSA-N 2 0 369.484 3.056 20 0 FGADRP C[C@@H](C(=O)Nc1ccc(Br)cc1)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000246213809 497663321 /nfs/dbraw/zinc/66/33/21/497663321.db2.gz YFMKYAFYHFWUNH-KBPBESRZSA-N 2 0 368.319 3.050 20 0 FGADRP C[NH+](C)Cc1ccsc1C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000268070299 497672424 /nfs/dbraw/zinc/67/24/24/497672424.db2.gz CIIGDNNAHMZJNV-UHFFFAOYSA-N 2 0 357.523 3.336 20 0 FGADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)NCCCC[NH+]2CCCC[C@@H]2C)C1 ZINC000246293699 497686028 /nfs/dbraw/zinc/68/60/28/497686028.db2.gz IPCONCZSEQZOJB-VQTJNVASSA-N 2 0 366.594 3.308 20 0 FGADRP C[C@H]1C[C@H]([NH2+][C@@H](Cc2ccccc2)C(=O)NCC[NH+](C)C)c2ccccc21 ZINC000578362369 505923143 /nfs/dbraw/zinc/92/31/43/505923143.db2.gz NOVCOSJGHKGGCF-HSQYWUDLSA-N 2 0 365.521 3.114 20 0 FGADRP Cc1nn(Cc2ccccc2Cl)c(C)c1CN1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000194542197 497700047 /nfs/dbraw/zinc/70/00/47/497700047.db2.gz IXPWEOFJDISFAS-HDICACEKSA-N 2 0 358.917 3.195 20 0 FGADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)NCc2ccccc2C[NH+](C)C(C)C)[C@@H](C)C1 ZINC000246410188 497723991 /nfs/dbraw/zinc/72/39/91/497723991.db2.gz KWUVHFNCXDPVRN-GHTZIAJQSA-N 2 0 374.573 3.399 20 0 FGADRP CC(C)[NH+]1CCC(O)(C[NH2+]Cc2csc(-c3ccsc3)n2)CC1 ZINC000268401587 497742305 /nfs/dbraw/zinc/74/23/05/497742305.db2.gz CROHJGGWZDFCHK-UHFFFAOYSA-N 2 0 351.541 3.197 20 0 FGADRP COc1c(Cl)cc(Cl)cc1C[NH2+]CC1(O)CC[NH+](C(C)C)CC1 ZINC000268405978 497742862 /nfs/dbraw/zinc/74/28/62/497742862.db2.gz FOOXDGYYAYMVGK-UHFFFAOYSA-N 2 0 361.313 3.327 20 0 FGADRP CC[C@H](CNC(=O)C[C@@H]([NH3+])c1ccccc1)[N@@H+]1CCc2ccccc2C1 ZINC000263300234 497753478 /nfs/dbraw/zinc/75/34/78/497753478.db2.gz DASZNZAOKZFXOC-NHCUHLMSSA-N 2 0 351.494 3.030 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NCC(C)(C)[NH2+][C@H](C)c2ccccc2)[C@H](C)C1 ZINC000246522971 497762153 /nfs/dbraw/zinc/76/21/53/497762153.db2.gz VBRQDOJYBZFBMD-GGPKGHCWSA-N 2 0 374.573 3.488 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)N(C)[C@H]1CC[N@H+](CC)C[C@@H]1C)c1ccccc1 ZINC000246531199 497765121 /nfs/dbraw/zinc/76/51/21/497765121.db2.gz VTMDOUDKKPQIHG-JBACZVJFSA-N 2 0 374.573 3.441 20 0 FGADRP CCN(C(=O)[C@H](C)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)c1ccccc1 ZINC000246570774 497778075 /nfs/dbraw/zinc/77/80/75/497778075.db2.gz LJCDORISMIFISR-WFXMLNOXSA-N 2 0 355.526 3.377 20 0 FGADRP CC[C@H]([NH2+]C1CC[NH+](C(C)C)CC1)[C@@H](c1ccc(C)cc1)n1cncn1 ZINC000272988232 497778991 /nfs/dbraw/zinc/77/89/91/497778991.db2.gz WFWZFRSQETZPGP-LEWJYISDSA-N 2 0 355.530 3.417 20 0 FGADRP CC[N@@H+]1CC[C@@H]([NH2+]CCCOC2CC[NH+](Cc3ccccc3)CC2)[C@@H](C)C1 ZINC000246810487 497812706 /nfs/dbraw/zinc/81/27/06/497812706.db2.gz ADTNQFWFJZPMIG-NZQKXSOJSA-N 3 0 373.585 3.378 20 0 FGADRP C[C@@H]([NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1cccc(N2CCCC2=O)c1 ZINC000246856757 497817130 /nfs/dbraw/zinc/81/71/30/497817130.db2.gz BSYUOYSJBOMWBN-GUDVDZBRSA-N 2 0 373.541 3.353 20 0 FGADRP CCCOc1ncccc1C[NH2+][C@@H]1CCN(Cc2ccccn2)C[C@H]1C ZINC000246878567 497818293 /nfs/dbraw/zinc/81/82/93/497818293.db2.gz DVYCNQKMEPWOAU-YLJYHZDGSA-N 2 0 354.498 3.266 20 0 FGADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H](C)CC(=O)Nc2ccc(OC(F)(F)F)cc2)C1 ZINC000246896325 497819132 /nfs/dbraw/zinc/81/91/32/497819132.db2.gz FQSAUKYRORGUPS-ZIAGYGMSSA-N 2 0 373.419 3.234 20 0 FGADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@H](O)COc1cccc(Cl)c1Cl ZINC000246924059 497820580 /nfs/dbraw/zinc/82/05/80/497820580.db2.gz GWEKSUDOLUTFHP-BHPKHCPMSA-N 2 0 361.313 3.051 20 0 FGADRP C[C@@H]([NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1ccc2c(c1)OCCCO2 ZINC000246924759 497820593 /nfs/dbraw/zinc/82/05/93/497820593.db2.gz GQCIQDHXRUBPRY-KZNAEPCWSA-N 2 0 362.514 3.388 20 0 FGADRP COc1cc2c(cc1F)[nH+]ccc2N1CCC(OCCC[NH+](C)C)CC1 ZINC000280681496 497856058 /nfs/dbraw/zinc/85/60/58/497856058.db2.gz IJCRDIWCIQBSIW-UHFFFAOYSA-N 2 0 361.461 3.320 20 0 FGADRP CC[NH+]1CCC(CC[NH2+]C[C@H](O)CO[C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000578435515 505938731 /nfs/dbraw/zinc/93/87/31/505938731.db2.gz FYGQRFCMFIWOLN-JXFKEZNVSA-N 2 0 368.949 3.490 20 0 FGADRP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)NCc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000581240129 505941306 /nfs/dbraw/zinc/94/13/06/505941306.db2.gz VBTZUQIGVNZVHW-MSOLQXFVSA-N 2 0 372.557 3.330 20 0 FGADRP C[C@H]1C[C@@H]([NH2+]CCCC[NH+]2CCN(c3ccccc3)CC2)c2nccn21 ZINC000296069470 497910805 /nfs/dbraw/zinc/91/08/05/497910805.db2.gz SBSDXRNUXBJOFE-AZUAARDMSA-N 2 0 353.514 3.081 20 0 FGADRP CC(C)[N@@H+]1CCc2nc(CN(CC[NH+](C)C)C3CCCC3)sc2C1 ZINC000364445129 497961753 /nfs/dbraw/zinc/96/17/53/497961753.db2.gz DLPDBOBESINEDE-UHFFFAOYSA-N 2 0 350.576 3.216 20 0 FGADRP C[C@H](NC(=O)c1ccc(CC[NH+](C)C)cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000581320020 505960681 /nfs/dbraw/zinc/96/06/81/505960681.db2.gz QWJAXFYJIWFYHC-FXAWDEMLSA-N 2 0 357.542 3.174 20 0 FGADRP COc1ccc(C[N@@H+]2CCCN(C(=O)[C@@H]3CCCCCC[C@@H]3[NH3+])CC2)cc1 ZINC000575397730 505971728 /nfs/dbraw/zinc/97/17/28/505971728.db2.gz DXZATCVXQXDIGF-RTWAWAEBSA-N 2 0 373.541 3.027 20 0 FGADRP COc1ccc(C[N@@H+]2CCCN(C(=O)[C@H]3CCCCCC[C@H]3[NH3+])CC2)cc1 ZINC000575397728 505971758 /nfs/dbraw/zinc/97/17/58/505971758.db2.gz DXZATCVXQXDIGF-LEWJYISDSA-N 2 0 373.541 3.027 20 0 FGADRP CC(C)(C)[C@@H]1NC(=O)CC[C@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000285557897 498127638 /nfs/dbraw/zinc/12/76/38/498127638.db2.gz FQCMUCGZAREDGD-OUUKCGNVSA-N 2 0 369.553 3.465 20 0 FGADRP COc1cc2[nH+]ccc(N3CC[C@H]([NH3+])[C@H](C)C3)c2cc1Br ZINC000578639824 505987129 /nfs/dbraw/zinc/98/71/29/505987129.db2.gz GNNHJOWARVKSGE-MFKMUULPSA-N 2 0 350.260 3.179 20 0 FGADRP CC(C)C[NH+]1CCC([NH2+]C[C@@H](O)CO[C@H](C)c2ccc(Cl)cc2)CC1 ZINC000578640478 505987138 /nfs/dbraw/zinc/98/71/38/505987138.db2.gz XYWRJBAMUGBQBT-OXQOHEQNSA-N 2 0 368.949 3.489 20 0 FGADRP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)NCc2ccccc2C[N@@H+]2CCCC[C@H]2C)C1 ZINC000569675637 505990450 /nfs/dbraw/zinc/99/04/50/505990450.db2.gz FUHDLLNKWXDJAF-WSTZPKSXSA-N 2 0 372.557 3.330 20 0 FGADRP C[N@H+](C[C@H]1CC12CC[NH+](CCOCC(F)(F)C(F)F)CC2)C1CC1 ZINC000365005858 498250987 /nfs/dbraw/zinc/25/09/87/498250987.db2.gz UJVJKFJBEZLKAD-CYBMUJFWSA-N 2 0 352.416 3.100 20 0 FGADRP COC(=O)c1csc([C@H](C)[NH2+]Cc2ccc(-n3ccnc3C)nc2)c1 ZINC000286119646 498297425 /nfs/dbraw/zinc/29/74/25/498297425.db2.gz OATRPGGVOCOIBK-LBPRGKRZSA-N 2 0 356.451 3.275 20 0 FGADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]C1CCN(Cc2coc(-c3ccccc3)n2)CC1 ZINC000578756743 506014292 /nfs/dbraw/zinc/01/42/92/506014292.db2.gz JOIHBIUTEGSDBB-FXAWDEMLSA-N 2 0 354.498 3.023 20 0 FGADRP Cc1cc([C@H]2CCCN2C[C@H](O)C[N@@H+](C)C2CC2)ccc1Br ZINC000575840400 506015024 /nfs/dbraw/zinc/01/50/24/506015024.db2.gz REJSHFPJZMSKLO-SJLPKXTDSA-N 2 0 367.331 3.350 20 0 FGADRP O=C(NC1CC[NH+](C2CCC2)CC1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000297162391 498338882 /nfs/dbraw/zinc/33/88/82/498338882.db2.gz MSQOKHKEEJFDPK-LJQANCHMSA-N 2 0 355.526 3.032 20 0 FGADRP CCOc1ccc(C[N@H+](CCCn2ccnc2)Cc2c[nH]nc2C)cc1 ZINC000289923963 498354014 /nfs/dbraw/zinc/35/40/14/498354014.db2.gz VZLQNBQGZBYZSM-UHFFFAOYSA-N 2 0 353.470 3.406 20 0 FGADRP CC[N@H+](C)[C@@H](C(=O)N(C)CCC[NH+](C)Cc1ccncc1)c1ccccc1 ZINC000569827274 506025684 /nfs/dbraw/zinc/02/56/84/506025684.db2.gz FYUZGDIUBIKASP-OAQYLSRUSA-N 2 0 368.525 3.055 20 0 FGADRP c1ccc(CN2CC[C@H]([NH2+]CCCOC3CCOCC3)CC23CC3)cc1 ZINC000581607126 506026907 /nfs/dbraw/zinc/02/69/07/506026907.db2.gz JDAONRVCMRZNNZ-FQEVSTJZSA-N 2 0 358.526 3.359 20 0 FGADRP CCN(C(=O)N[C@@H]1C[C@H](C)n2ccnc21)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000575889067 506027284 /nfs/dbraw/zinc/02/72/84/506027284.db2.gz FHWOKIPQGSUMHK-QXAKKESOSA-N 2 0 367.497 3.195 20 0 FGADRP C/C(=C/c1ccccc1OC(F)F)C[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000578824372 506028411 /nfs/dbraw/zinc/02/84/11/506028411.db2.gz GJTNAFRVZNXVMZ-ICFOKQHNSA-N 2 0 367.484 3.261 20 0 FGADRP C[NH+]1CCN(CCC[NH2+]CC(Cc2ccccc2)Cc2ccccc2)CC1 ZINC000581639221 506033494 /nfs/dbraw/zinc/03/34/94/506033494.db2.gz DGLRMJMRHXBUMO-UHFFFAOYSA-N 2 0 365.565 3.315 20 0 FGADRP COc1ccc(CCNC(=[NH2+])NC[C@H]2CC[N@H+](C)[C@@H]2c2cccs2)cc1 ZINC000361946422 498443416 /nfs/dbraw/zinc/44/34/16/498443416.db2.gz XEFNHQIVWWFQLQ-APWZRJJASA-N 2 0 372.538 3.106 20 0 FGADRP COc1ccc(CCNC(=[NH2+])NC[C@H]2CC[N@H+](C)[C@H]2c2cccs2)cc1 ZINC000361946428 498443598 /nfs/dbraw/zinc/44/35/98/498443598.db2.gz XEFNHQIVWWFQLQ-VQIMIIECSA-N 2 0 372.538 3.106 20 0 FGADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)Nc1ccc(C[NH+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000331860727 498479150 /nfs/dbraw/zinc/47/91/50/498479150.db2.gz YMNASNLYAAFDEK-JZXOWHBKSA-N 2 0 372.513 3.245 20 0 FGADRP C[C@H](c1ccc(F)cc1)N1CC[C@@H]([N@@H+]2CC[C@@H](C)[C@@H](n3ccnc3)C2)C1=O ZINC000293919191 498533601 /nfs/dbraw/zinc/53/36/01/498533601.db2.gz XTHAIOWIDPMOPP-SMOSDQRPSA-N 2 0 370.472 3.267 20 0 FGADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H]1CCc2sc(Br)cc21 ZINC000293986246 498553309 /nfs/dbraw/zinc/55/33/09/498553309.db2.gz BRYXHNFIKZBJQL-GXTWGEPZSA-N 2 0 372.376 3.114 20 0 FGADRP CCCn1c(C[NH+]2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)nc2ccccc21 ZINC000569941954 506053201 /nfs/dbraw/zinc/05/32/01/506053201.db2.gz IALWZOPOMPHRCN-XLIONFOSSA-N 2 0 356.514 3.165 20 0 FGADRP CC(C)c1cc(NC[C@H]2CCC[N@H+](C)C2)nc(NC[C@H]2CCC[NH+](C)C2)n1 ZINC000302785716 498574247 /nfs/dbraw/zinc/57/42/47/498574247.db2.gz VSFNRMDIKKGAST-QZTJIDSGSA-N 2 0 374.577 3.107 20 0 FGADRP COc1c(Br)cc(C[NH2+][C@@H](C)CC[NH3+])cc1Br ZINC000578965912 506063039 /nfs/dbraw/zinc/06/30/39/506063039.db2.gz OEMHYLHKWMQJOR-QMMMGPOBSA-N 2 0 366.097 3.047 20 0 FGADRP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)NCc2ccc3c[nH+]cn3c2)C1 ZINC000297972828 498626406 /nfs/dbraw/zinc/62/64/06/498626406.db2.gz XLIIHCPDGHSCBC-HKUYNNGSSA-N 2 0 369.513 3.130 20 0 FGADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)NC[C@]2([NH+](C)C)CCC[C@@H](C)C2)C1 ZINC000302937366 498631177 /nfs/dbraw/zinc/63/11/77/498631177.db2.gz ASABJMXLXIWZOM-SBHAEUEKSA-N 2 0 366.594 3.308 20 0 FGADRP c1cc(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)cc(N2CCOCC2)c1 ZINC000570030917 506073162 /nfs/dbraw/zinc/07/31/62/506073162.db2.gz ODZPQFCMKZOGTF-UHFFFAOYSA-N 2 0 357.542 3.410 20 0 FGADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000303462666 498678318 /nfs/dbraw/zinc/67/83/18/498678318.db2.gz LVIDNEIKQBCBCA-WOJBJXKFSA-N 2 0 364.578 3.158 20 0 FGADRP Cc1cc(C)c(C[NH+]2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)cc1C ZINC000581851478 506073503 /nfs/dbraw/zinc/07/35/03/506073503.db2.gz OKVKNHVQQLXVJF-UHFFFAOYSA-N 2 0 371.569 3.426 20 0 FGADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)NCCCC[NH+]1CCC(C)CC1 ZINC000303524693 498687615 /nfs/dbraw/zinc/68/76/15/498687615.db2.gz DASURHIRSIYLBP-LJQANCHMSA-N 2 0 352.567 3.062 20 0 FGADRP O=C(c1ccc(C[NH+]2CCCCC2)cc1)N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000363260487 498733263 /nfs/dbraw/zinc/73/32/63/498733263.db2.gz WSPYAOAXNLXMEQ-FDFHNCONSA-N 2 0 367.537 3.229 20 0 FGADRP COc1ccc(COCCC[NH2+]C2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000298334807 498735266 /nfs/dbraw/zinc/73/52/66/498735266.db2.gz IZGAZHUTIIVPQU-UHFFFAOYSA-N 2 0 355.482 3.256 20 0 FGADRP C[C@@H](C(=O)N[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]([NH3+])c1ccccc1 ZINC000312681374 498760386 /nfs/dbraw/zinc/76/03/86/498760386.db2.gz KYZYYHQSKAUWKR-KSCDAYEDSA-N 2 0 365.521 3.349 20 0 FGADRP C[C@@H](C(=O)N[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]([NH3+])c1ccccc1 ZINC000312681375 498761527 /nfs/dbraw/zinc/76/15/27/498761527.db2.gz KYZYYHQSKAUWKR-OSZJIOELSA-N 2 0 365.521 3.349 20 0 FGADRP COc1ccccc1[C@@H](CNC1CC[NH+](C2CC2)CC1)[NH+]1CCCCC1 ZINC000298424687 498766705 /nfs/dbraw/zinc/76/67/05/498766705.db2.gz MUGDOHDJXPLMCY-OAQYLSRUSA-N 2 0 357.542 3.439 20 0 FGADRP C[C@H](C[NH2+]C[C@@H](O)COc1ccc(Cl)c(Cl)c1)C[NH+]1CCCC1 ZINC000320864008 498810318 /nfs/dbraw/zinc/81/03/18/498810318.db2.gz JIBYRTVROFQFJC-ZIAGYGMSSA-N 2 0 361.313 3.055 20 0 FGADRP CC1CC[NH+](CCC[C@H]([NH2+]C[C@]2(O)CCOC2)c2ccc(F)cc2)CC1 ZINC000291141740 498812049 /nfs/dbraw/zinc/81/20/49/498812049.db2.gz HRPXIRHVHZUFDA-LEWJYISDSA-N 2 0 364.505 3.120 20 0 FGADRP O=C(C[C@@H]1CCC[N@H+](CCC[NH+]2CCCC2)C1)NCc1ccc(F)cc1 ZINC000572997633 506096088 /nfs/dbraw/zinc/09/60/88/506096088.db2.gz FXTQUDCSFYIASX-IBGZPJMESA-N 2 0 361.505 3.030 20 0 FGADRP C[C@@H]([NH2+]CCc1nc2ccccc2c(=O)[nH]1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000333129303 498908543 /nfs/dbraw/zinc/90/85/43/498908543.db2.gz JJSOIEUPVDYPQE-CVEARBPZSA-N 2 0 354.498 3.121 20 0 FGADRP O=C(NC1CC[NH+](CC2CC2)CC1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000298906793 498913895 /nfs/dbraw/zinc/91/38/95/498913895.db2.gz AZVXFGJLDVWULN-UHFFFAOYSA-N 2 0 355.526 3.277 20 0 FGADRP CC(C)[C@@H]1C[C@@H]([NH2+][C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)c2ccccc21 ZINC000333240582 498949872 /nfs/dbraw/zinc/94/98/72/498949872.db2.gz DTDISEBSXTXCQA-HIUFNZKISA-N 2 0 355.526 3.107 20 0 FGADRP Cc1cc2c(cc1C)[C@H]([NH2+][C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)CCS2 ZINC000333251607 498953858 /nfs/dbraw/zinc/95/38/58/498953858.db2.gz GWSXBPACGINZFU-OPYAIIAOSA-N 2 0 373.566 3.077 20 0 FGADRP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1ccc(OCc2nccn2C)cc1 ZINC000576268686 506117172 /nfs/dbraw/zinc/11/71/72/506117172.db2.gz YFMFGEYGRBOWDD-WZGPROSRSA-N 2 0 354.498 3.038 20 0 FGADRP C[C@H]1CCC[N@@H+]1C1CCN(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)CC1 ZINC000366513323 498960051 /nfs/dbraw/zinc/96/00/51/498960051.db2.gz LZASYROCXPNXKW-HKUYNNGSSA-N 2 0 374.529 3.075 20 0 FGADRP C/C(=C\c1ccccc1OC(F)F)C[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000291489180 498962502 /nfs/dbraw/zinc/96/25/02/498962502.db2.gz GJTNAFRVZNXVMZ-BMRADRMJSA-N 2 0 367.484 3.261 20 0 FGADRP CC1CC[NH+](Cc2ccc(CNC(=O)C[C@H]3CCCC[C@H]3[NH3+])cc2)CC1 ZINC000573115971 506122379 /nfs/dbraw/zinc/12/23/79/506122379.db2.gz YOTRXQRVGXZDEQ-NHCUHLMSSA-N 2 0 357.542 3.442 20 0 FGADRP C[NH+]1CCC(N2CCC([NH2+][C@@H]3CSCCc4ccccc43)CC2)CC1 ZINC000363788246 498993732 /nfs/dbraw/zinc/99/37/32/498993732.db2.gz ZLULMPWYVUIOPC-OAQYLSRUSA-N 2 0 359.583 3.165 20 0 FGADRP CCc1ccc(/C=C/C(=O)NCCC2CC[NH+](C3CCN(C)CC3)CC2)o1 ZINC000366686679 499032888 /nfs/dbraw/zinc/03/28/88/499032888.db2.gz ZEZWNBWYJLJEAS-VOTSOKGWSA-N 2 0 373.541 3.168 20 0 FGADRP CC(CC[NH2+][C@H](CCO)c1ccco1)CC[NH2+][C@H](CCO)c1ccco1 ZINC000299397745 499046320 /nfs/dbraw/zinc/04/63/20/499046320.db2.gz RYFKYYMNMIMLJC-QZTJIDSGSA-N 2 0 364.486 3.015 20 0 FGADRP CCOc1ccccc1NC(=O)[C@H](C)[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000366868004 499100214 /nfs/dbraw/zinc/10/02/14/499100214.db2.gz KZJOAWGMMOSOKY-KRWDZBQOSA-N 2 0 359.514 3.220 20 0 FGADRP CCc1nccn1C[C@H]1CCCN1C(=O)NCCCCCCC[NH+](C)C ZINC000364165782 499126579 /nfs/dbraw/zinc/12/65/79/499126579.db2.gz GXWAZFFFDOXQKY-GOSISDBHSA-N 2 0 363.550 3.132 20 0 FGADRP C[C@H]([NH2+]C[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1)c1ccc(S(C)(=O)=O)cc1 ZINC000369852760 499139411 /nfs/dbraw/zinc/13/94/11/499139411.db2.gz OMYZBEQLDZHEEJ-LRQRDZAKSA-N 2 0 372.534 3.434 20 0 FGADRP COc1cccc2c(N3CC[C@@H]([NH+]4CCN(C)CC4)[C@H](C)C3)cc(C)nc12 ZINC000367059112 499141721 /nfs/dbraw/zinc/14/17/21/499141721.db2.gz BQIGUHIWMUGSRQ-VQIMIIECSA-N 2 0 368.525 3.014 20 0 FGADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]C[C@@H]3CCC4(CCOCC4)[C@H]3O)CC2)C1 ZINC000367127701 499152331 /nfs/dbraw/zinc/15/23/31/499152331.db2.gz VCLPBKVCUMXWRD-ZFMNYDKASA-N 2 0 364.574 3.187 20 0 FGADRP CC(=O)c1ccc(NC(=O)CC[N@H+]2CCCC3(CC[NH+](C)CC3)C2)cc1 ZINC000367198460 499159960 /nfs/dbraw/zinc/15/99/60/499159960.db2.gz CAPUSXDEWBOKOK-UHFFFAOYSA-N 2 0 357.498 3.026 20 0 FGADRP Cc1ccc([C@@H]([NH3+])C(=O)NC2CC[NH+](Cc3cccc(C)c3)CC2)cc1 ZINC000370115719 499183086 /nfs/dbraw/zinc/18/30/86/499183086.db2.gz YJVVTJGSPQZZDC-OAQYLSRUSA-N 2 0 351.494 3.084 20 0 FGADRP C[NH+](C)CCOc1ccc(NC(=O)[C@@H]2CCCc3nc[nH]c32)cc1Cl ZINC000367387643 499192918 /nfs/dbraw/zinc/19/29/18/499192918.db2.gz HBMLVSOBJJLZNF-CYBMUJFWSA-N 2 0 362.861 3.062 20 0 FGADRP C[C@@H]1C[N@@H+](Cc2ccc(C[NH2+][C@H]3CCCc4n[nH]cc43)cc2)C[C@H](C)O1 ZINC000367614418 499217983 /nfs/dbraw/zinc/21/79/83/499217983.db2.gz HUDIQLYRCBYLAZ-YRNRMSPPSA-N 2 0 354.498 3.186 20 0 FGADRP COc1ccc([C@H](C)[NH2+][C@@H]2CCN(C[C@H]3CCCO3)C[C@H]2C)cc1F ZINC000370574275 499232653 /nfs/dbraw/zinc/23/26/53/499232653.db2.gz SPLLQNKLRFLOAV-LORHWOILSA-N 2 0 350.478 3.374 20 0 FGADRP CCCC[NH+]1CCC([NH2+]C[C@@H](O)COCc2ccc(Cl)cc2)CC1 ZINC000573199156 506141752 /nfs/dbraw/zinc/14/17/52/506141752.db2.gz MFKAAULSEKEJAT-LJQANCHMSA-N 2 0 354.922 3.072 20 0 FGADRP C[C@H]1CN(Cc2ccc(F)c(C(F)(F)F)c2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000370710851 499246906 /nfs/dbraw/zinc/24/69/06/499246906.db2.gz VFURLKMYOWXFSX-KBXCAEBGSA-N 2 0 373.438 3.302 20 0 FGADRP O=C(NCc1cnc2n1CCCC2)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000367947947 499248350 /nfs/dbraw/zinc/24/83/50/499248350.db2.gz OICZZRBYYIKFKU-UHFFFAOYSA-N 2 0 373.545 3.017 20 0 FGADRP C[C@H](C(=O)NC1CC[NH+](C2CCC(C)CC2)CC1)[C@@H]([NH3+])c1ccccc1 ZINC000370763711 499252552 /nfs/dbraw/zinc/25/25/52/499252552.db2.gz OBNVOHZIMAJAFX-HPAHXVRCSA-N 2 0 357.542 3.482 20 0 FGADRP COc1cc(C[NH+]2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)ccc1OC(C)C ZINC000576368681 506141934 /nfs/dbraw/zinc/14/19/34/506141934.db2.gz QMSBYEKYGJDBAK-RXVVDRJESA-N 2 0 362.514 3.201 20 0 FGADRP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+]Cc1ccc2c(c1)COC(C)(C)O2 ZINC000368649617 499317312 /nfs/dbraw/zinc/31/73/12/499317312.db2.gz HCDAJYIUHZVXNU-LSTHTHJFSA-N 2 0 374.525 3.311 20 0 FGADRP C[NH+](C)[C@H]1CCc2ccccc2[C@@H]1NC1CC[NH+](Cc2ccncc2)CC1 ZINC000371486809 499333213 /nfs/dbraw/zinc/33/32/13/499333213.db2.gz AFGJVZRHMZDOLR-GOTSBHOMSA-N 2 0 364.537 3.253 20 0 FGADRP CC(C)CC[NH+]1CCC(C[NH2+]C2CCN(c3nccs3)CC2)CC1 ZINC000371578617 499344085 /nfs/dbraw/zinc/34/40/85/499344085.db2.gz DUZJJUQCQFTRKP-UHFFFAOYSA-N 2 0 350.576 3.460 20 0 FGADRP CCC[NH+](CCC)CCCC(=O)NC1CC[NH+](CCc2ccncc2)CC1 ZINC000369108644 499366338 /nfs/dbraw/zinc/36/63/38/499366338.db2.gz JEBDYBYHWSVOFM-UHFFFAOYSA-N 2 0 374.573 3.107 20 0 FGADRP C[C@H]([NH2+]C(C)(C)CNC(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000369314653 499390676 /nfs/dbraw/zinc/39/06/76/499390676.db2.gz CVAWZGKUGSNMGK-QXAKKESOSA-N 2 0 358.530 3.042 20 0 FGADRP Cc1ccc([C@@H]([NH3+])C(=O)NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000369711511 499438375 /nfs/dbraw/zinc/43/83/75/499438375.db2.gz CSYNLJAEDXOSAY-PZJWPPBQSA-N 2 0 351.494 3.023 20 0 FGADRP CC(C)(C)[NH2+]CCNC(=O)C1CC[NH+](Cc2ccc(Cl)s2)CC1 ZINC000369755681 499440942 /nfs/dbraw/zinc/44/09/42/499440942.db2.gz ABJIIUTXQSHQKO-UHFFFAOYSA-N 2 0 357.951 3.118 20 0 FGADRP CC[NH+](CC)Cc1cccc(CNC(=O)NC2CC([NH+]3CCCCC3)C2)c1 ZINC000373432987 499469480 /nfs/dbraw/zinc/46/94/80/499469480.db2.gz XCMSAUGMOMCAFR-UHFFFAOYSA-N 2 0 372.557 3.345 20 0 FGADRP Cc1ccc(C(=O)CC[NH+]2CCC(N3CC[NH+](C(C)C)CC3)CC2)cc1 ZINC000373452414 499470674 /nfs/dbraw/zinc/47/06/74/499470674.db2.gz KBAJFDQYMHGWQO-UHFFFAOYSA-N 2 0 357.542 3.058 20 0 FGADRP Brc1ccc(C[NH2+]C[C@H]2CCCN(Cc3cccnc3)C2)o1 ZINC000373609271 499479742 /nfs/dbraw/zinc/47/97/42/499479742.db2.gz GSXIIYVRAOWYLA-OAHLLOKOSA-N 2 0 364.287 3.439 20 0 FGADRP Cc1cccc2c(CC[NH2+][C@@H]3CC[N@@H+](C[C@@H]4CCCO4)C[C@H]3C)c[nH]c21 ZINC000378185922 499488400 /nfs/dbraw/zinc/48/84/00/499488400.db2.gz VCGNSILVAFIDIT-SLYNCCJLSA-N 2 0 355.526 3.498 20 0 FGADRP C[NH+](C)Cc1c2ccccc2oc1C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000378220185 499491371 /nfs/dbraw/zinc/49/13/71/499491371.db2.gz BPEQZJAKRLROTA-GOSISDBHSA-N 2 0 355.482 3.099 20 0 FGADRP C[N@@H+]1CCC[C@H](C[NH2+]C[C@H](O)COc2ccccc2)[C@H]1c1ccccc1 ZINC000375498917 499526061 /nfs/dbraw/zinc/52/60/61/499526061.db2.gz WZFPCCKYHYQDKU-RZUBCFFCSA-N 2 0 354.494 3.099 20 0 FGADRP C[NH+]1CCC(C)(C[NH2+]C2CCN(C(=O)c3ccc(Cl)cc3)CC2)CC1 ZINC000378552553 499531032 /nfs/dbraw/zinc/53/10/32/499531032.db2.gz QYYGFKIHTNFLHJ-UHFFFAOYSA-N 2 0 363.933 3.266 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000389845322 499553239 /nfs/dbraw/zinc/55/32/39/499553239.db2.gz NEKWVQHRFYZBFZ-UIFIKXQLSA-N 2 0 351.494 3.103 20 0 FGADRP c1ccc(CN2CCC[C@H]2C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000390582690 499554690 /nfs/dbraw/zinc/55/46/90/499554690.db2.gz JTYHWCJEPYPLNB-QFIPXVFZSA-N 2 0 350.510 3.305 20 0 FGADRP C[N@H+]1CC=C(C[NH2+]Cc2cc(Br)ccc2OC(F)F)CC1 ZINC000392216346 499558251 /nfs/dbraw/zinc/55/82/51/499558251.db2.gz AOVNVMDXOROEEX-UHFFFAOYSA-N 2 0 361.230 3.402 20 0 FGADRP C[NH+](C)CCCC(C)(C)[NH2+]Cc1cc2c(cc1Br)OCO2 ZINC000395710643 499562866 /nfs/dbraw/zinc/56/28/66/499562866.db2.gz CEJDJAMYBRVBGZ-UHFFFAOYSA-N 2 0 357.292 3.388 20 0 FGADRP C[C@@H]1C[N@@H+](Cc2ccccc2C[NH2+][C@H]2CCCc3n[nH]cc32)C[C@H](C)O1 ZINC000375890682 499565316 /nfs/dbraw/zinc/56/53/16/499565316.db2.gz SZLOHFBOTQMCSE-YRNRMSPPSA-N 2 0 354.498 3.186 20 0 FGADRP C[C@@]1(C[NH2+]Cc2ccc3c(c2)NC(=O)CO3)CCCN1Cc1ccccc1 ZINC000397978062 499565434 /nfs/dbraw/zinc/56/54/34/499565434.db2.gz LMOAJNIJMCURFK-QFIPXVFZSA-N 2 0 365.477 3.162 20 0 FGADRP COc1cc(C[NH2+][C@]2(C)CCN(Cc3ccccc3)C2)cc(OC)c1OC ZINC000405951885 499571977 /nfs/dbraw/zinc/57/19/77/499571977.db2.gz GTYZGBOSIGSSLQ-JOCHJYFZSA-N 2 0 370.493 3.467 20 0 FGADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+][C@@H]3CCCN(c4ccnn4C)C3)CC2)C1 ZINC000376056438 499579232 /nfs/dbraw/zinc/57/92/32/499579232.db2.gz VVMOHHRORGQZDM-RLLQIKCJSA-N 2 0 359.562 3.022 20 0 FGADRP CC(C)(C)[C@@H]1NC(=O)CC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000376112290 499584042 /nfs/dbraw/zinc/58/40/42/499584042.db2.gz FQCMUCGZAREDGD-RTFFYQOYSA-N 2 0 369.553 3.465 20 0 FGADRP C[C@H]1COCCN1C1CC[NH+](Cc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000576408257 506151487 /nfs/dbraw/zinc/15/14/87/506151487.db2.gz AZIVFAMEGVGJHF-FQEVSTJZSA-N 2 0 371.569 3.358 20 0 FGADRP CCNC(=O)c1ccc(C[NH2+][C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000376318094 499600082 /nfs/dbraw/zinc/60/00/82/499600082.db2.gz FSEGSHPPCJDAPO-AVRDEDQJSA-N 2 0 365.521 3.437 20 0 FGADRP C[C@H]1CN(C(=O)c2cccc(C3CCC3)c2)CCN1C1CC[NH+](C)CC1 ZINC000409891317 499627603 /nfs/dbraw/zinc/62/76/03/499627603.db2.gz LLLLGOWCQVZOSA-KRWDZBQOSA-N 2 0 355.526 3.195 20 0 FGADRP COCCC1(C[NH2+][C@@H]2CC[N@H+](C[C@@H]3CCCO3)C[C@H]2C)CCCCC1 ZINC000376940219 499647985 /nfs/dbraw/zinc/64/79/85/499647985.db2.gz FVVCAOWEHRULJR-HSALFYBXSA-N 2 0 352.563 3.452 20 0 FGADRP COCCC1(C[NH2+][C@@H]2CC[N@H+](C[C@H]3CCCO3)C[C@@H]2C)CCCCC1 ZINC000376940222 499648124 /nfs/dbraw/zinc/64/81/24/499648124.db2.gz FVVCAOWEHRULJR-XUVXKRRUSA-N 2 0 352.563 3.452 20 0 FGADRP Cc1nccn1-c1ccc([C@H](C)[N@@H+]2CCCC[C@@H]2[C@H]2CNC(=O)C2)cc1 ZINC000377550177 499703709 /nfs/dbraw/zinc/70/37/09/499703709.db2.gz OCELXKRLEFRUBM-QKYXUNIQSA-N 2 0 352.482 3.232 20 0 FGADRP O=C(NCC1CC1)[C@H]1CCC[N@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000411173760 499706737 /nfs/dbraw/zinc/70/67/37/499706737.db2.gz NPPIFKFYJREEFN-QFIPXVFZSA-N 2 0 369.553 3.411 20 0 FGADRP C[NH+]1CCN(C[C@@H]2CCC[N@H+](Cc3cccc(-c4cccnc4)c3)C2)CC1 ZINC000377626126 499712340 /nfs/dbraw/zinc/71/23/40/499712340.db2.gz NCZRJRXNQVPNFN-NRFANRHFSA-N 2 0 364.537 3.208 20 0 FGADRP CC(C)C(=O)N1CCC[N@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000411219665 499712835 /nfs/dbraw/zinc/71/28/35/499712835.db2.gz QHYXNAILUIXGDP-UHFFFAOYSA-N 2 0 357.542 3.363 20 0 FGADRP CN1CCN([C@@H]2CCCC[N@@H+]([C@@H]3CSCCc4ccccc43)C2)CC1 ZINC000377680489 499719063 /nfs/dbraw/zinc/71/90/63/499719063.db2.gz VQARIAXDSISRBN-TZIWHRDSSA-N 2 0 359.583 3.119 20 0 FGADRP Cc1cc(N2CCC[N@@H+](Cc3cnn(C(C)C)c3)CC2)nc(C2CC2)n1 ZINC000377735021 499726291 /nfs/dbraw/zinc/72/62/91/499726291.db2.gz SDWWFXBUSVGECB-UHFFFAOYSA-N 2 0 354.502 3.152 20 0 FGADRP CO[C@@H]1CC[C@H]2OCC[N@H+](Cc3ccc(C[NH+]4CCCCC4)cc3)[C@H]2C1 ZINC000411409638 499736479 /nfs/dbraw/zinc/73/64/79/499736479.db2.gz UCKQYLURBWOTDN-BHIFYINESA-N 2 0 358.526 3.441 20 0 FGADRP O=C1C[C@H]([C@@H]2CCCC[N@@H+]2Cc2ccc(C[NH+]3CCCCC3)cc2)CN1 ZINC000411411063 499736793 /nfs/dbraw/zinc/73/67/93/499736793.db2.gz FOYGWELRLGAZAN-SFTDATJTSA-N 2 0 355.526 3.163 20 0 FGADRP FC(F)CN1CCC[N@H+](Cc2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC000411426598 499739097 /nfs/dbraw/zinc/73/90/97/499739097.db2.gz NVCTZXIHGGSMMD-UHFFFAOYSA-N 2 0 351.485 3.445 20 0 FGADRP CC[C@@H]([NH2+]CC(=O)NC1CC[NH+](C(C)C)CC1)c1ccc(Cl)cc1 ZINC000411455464 499742767 /nfs/dbraw/zinc/74/27/67/499742767.db2.gz JEQGAICUDYQULP-GOSISDBHSA-N 2 0 351.922 3.370 20 0 FGADRP C[C@H]1C[N@H+](CCn2ccc3cc(Cl)ccc32)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000377870040 499743755 /nfs/dbraw/zinc/74/37/55/499743755.db2.gz SADVVSVNHCEZSP-PXNSSMCTSA-N 2 0 374.960 3.253 20 0 FGADRP O=C(c1cccc(C[NH+]2CCCCC2)c1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000411516088 499750298 /nfs/dbraw/zinc/75/02/98/499750298.db2.gz JDLRYSXAYVRTPX-OAQYLSRUSA-N 2 0 355.526 3.373 20 0 FGADRP CC[NH+]1CCC(NC(=O)C[NH2+]C2(Cc3ccccc3)CCCCC2)CC1 ZINC000411544094 499753080 /nfs/dbraw/zinc/75/30/80/499753080.db2.gz NDCGUHSJXUCNAS-UHFFFAOYSA-N 2 0 357.542 3.122 20 0 FGADRP Cc1cc(C)c([C@H](C)[NH2+]CC2(N3CCOCC3)CC[NH+](C)CC2)cc1C ZINC000414179270 499766076 /nfs/dbraw/zinc/76/60/76/499766076.db2.gz AFTQZDXCAGTCHX-FQEVSTJZSA-N 2 0 359.558 3.059 20 0 FGADRP CC[C@@H]([NH2+]Cc1ccc2c[nH+]cn2c1)c1ccccc1OCC(=O)N(C)C ZINC000414198317 499767702 /nfs/dbraw/zinc/76/77/02/499767702.db2.gz YJPIUUQJAPOBAC-LJQANCHMSA-N 2 0 366.465 3.042 20 0 FGADRP CC[C@H]([NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1)c1cccc(Cl)c1 ZINC000414199145 499767837 /nfs/dbraw/zinc/76/78/37/499767837.db2.gz QSVCYDWHGQOHTE-IBGZPJMESA-N 2 0 365.949 3.177 20 0 FGADRP C[C@@H](CC(C)(C)c1ccccc1)[NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000414199759 499768184 /nfs/dbraw/zinc/76/81/84/499768184.db2.gz RGOHEGPBGMBTGI-FQEVSTJZSA-N 2 0 373.585 3.129 20 0 FGADRP OC1(C[NH2+][C@@H]2CCC[C@H]([C@@H]3CCOC3)C2)CC[NH+](Cc2ccccc2)CC1 ZINC000414302188 499775857 /nfs/dbraw/zinc/77/58/57/499775857.db2.gz KGTOFJGIRMILPQ-BHDDXSALSA-N 2 0 372.553 3.198 20 0 FGADRP C[C@H]1CC(C)(C)C[C@@H]1[NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000414330277 499778324 /nfs/dbraw/zinc/77/83/24/499778324.db2.gz BMAAMZPZLKGAAX-JXFKEZNVSA-N 2 0 357.542 3.298 20 0 FGADRP NC(=O)C1CC[NH+](Cc2ccc(C[NH2+][C@H]3CCCC[C@@H]3C3CC3)cc2)CC1 ZINC000414346429 499779523 /nfs/dbraw/zinc/77/95/23/499779523.db2.gz VEAQLILYAUOFAT-YADHBBJMSA-N 2 0 369.553 3.442 20 0 FGADRP CC[NH+]1CCC(NC(=O)C[NH2+][C@H](C)c2ccc(F)c3ccccc32)CC1 ZINC000411731408 499783928 /nfs/dbraw/zinc/78/39/28/499783928.db2.gz BBVUNHBKLSJADV-OAHLLOKOSA-N 2 0 357.473 3.230 20 0 FGADRP Cc1ccc(C[NH2+]Cc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)cc1F ZINC000414555603 499808192 /nfs/dbraw/zinc/80/81/92/499808192.db2.gz NALHZQVMAXOESL-UHFFFAOYSA-N 2 0 369.484 3.121 20 0 FGADRP CSc1ccccc1OC[C@H](O)C[N@H+](CC[C@@H]1CCC[NH+]1C)C(C)C ZINC000411986584 499810027 /nfs/dbraw/zinc/81/00/27/499810027.db2.gz PPIGSJUAHFCDLQ-ZWKOTPCHSA-N 2 0 366.571 3.343 20 0 FGADRP [NH3+]CC(=O)N1CCC[C@@H](C[N@@H+]2CCCCC[C@@H]2c2ccc(Cl)cc2)C1 ZINC000414706109 499821421 /nfs/dbraw/zinc/82/14/21/499821421.db2.gz OLAAOGFVUVIEPW-QFBILLFUSA-N 2 0 363.933 3.454 20 0 FGADRP CCC[N@@H+](CC(=O)Nc1ccc(F)c(F)c1F)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414741563 499825543 /nfs/dbraw/zinc/82/55/43/499825543.db2.gz RZSJIGLSIXPIDI-QWHCGFSZSA-N 2 0 357.420 3.143 20 0 FGADRP COc1cc(C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c(SC)cc1OC ZINC000414777865 499829930 /nfs/dbraw/zinc/82/99/30/499829930.db2.gz INXVTPIHTLAQMO-CABCVRRESA-N 2 0 350.528 3.247 20 0 FGADRP C[N@@H+]1CCC[C@H]2CN(C(=O)c3cccc(C[NH+]4CCCCC4)c3)CC[C@@H]21 ZINC000412188531 499832183 /nfs/dbraw/zinc/83/21/83/499832183.db2.gz BUWCHJMACUUAER-SFTDATJTSA-N 2 0 355.526 3.229 20 0 FGADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000414796789 499832341 /nfs/dbraw/zinc/83/23/41/499832341.db2.gz IAODXLKZSOQMRH-GOEBONIOSA-N 2 0 352.404 3.498 20 0 FGADRP C[NH2+]C[C@@H](C)C[NH2+]Cc1ccc(Br)c(Br)c1 ZINC000414835939 499835872 /nfs/dbraw/zinc/83/58/72/499835872.db2.gz IVGGIIIBHRDBMV-SECBINFHSA-N 2 0 350.098 3.157 20 0 FGADRP COc1ccc(C(=O)Nc2cccc(C[NH2+]CC[C@H]3CCC[NH2+]C3)c2)cc1 ZINC000414840777 499836480 /nfs/dbraw/zinc/83/64/80/499836480.db2.gz NGSYBPXKDVDQFS-QGZVFWFLSA-N 2 0 367.493 3.427 20 0 FGADRP COc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000414842485 499836755 /nfs/dbraw/zinc/83/67/55/499836755.db2.gz OXDGDRSCGYIBPP-ZIAGYGMSSA-N 2 0 353.894 3.045 20 0 FGADRP C[C@@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]CC1([NH3+])CCCCC1 ZINC000414848382 499837425 /nfs/dbraw/zinc/83/74/25/499837425.db2.gz VVDCGSGRQBOULU-HNNXBMFYSA-N 2 0 351.922 3.328 20 0 FGADRP C[C@@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000414849283 499837711 /nfs/dbraw/zinc/83/77/11/499837711.db2.gz XXUULAKYFXEREF-UONOGXRCSA-N 2 0 373.419 3.282 20 0 FGADRP C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000414851388 499837965 /nfs/dbraw/zinc/83/79/65/499837965.db2.gz JCOPKYIZMPVHKG-OWCLPIDISA-N 2 0 351.922 3.055 20 0 FGADRP Brc1ccccc1-c1ccc(C[NH2+]CCN2CC[NH2+]CC2)cc1 ZINC000414864644 499839067 /nfs/dbraw/zinc/83/90/67/499839067.db2.gz BUZVKPXRAHICMW-UHFFFAOYSA-N 2 0 374.326 3.111 20 0 FGADRP C[C@]1(C[NH2+]Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)CCC[NH2+]C1 ZINC000414919794 499844528 /nfs/dbraw/zinc/84/45/28/499844528.db2.gz XRRJADOZWQOGPW-KRWDZBQOSA-N 2 0 352.404 3.370 20 0 FGADRP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1ccc(OC(F)(F)F)c(Br)c1 ZINC000414931544 499845935 /nfs/dbraw/zinc/84/59/35/499845935.db2.gz BVXFQXFVJUFAKM-SKDRFNHKSA-N 2 0 367.209 3.435 20 0 FGADRP C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000414964456 499849615 /nfs/dbraw/zinc/84/96/15/499849615.db2.gz DOTJHDNTUNBIPK-HIFRSBDPSA-N 2 0 368.319 3.288 20 0 FGADRP [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000414967977 499849838 /nfs/dbraw/zinc/84/98/38/499849838.db2.gz CGESWSHMBKPIKA-ICSRJNTNSA-N 2 0 358.530 3.354 20 0 FGADRP CCOc1cc(C[NH2+]CCC[C@@H]2CCC[NH2+]2)cc(Br)c1OC ZINC000414971417 499850235 /nfs/dbraw/zinc/85/02/35/499850235.db2.gz LDMFCSYVXOPQSL-CQSZACIVSA-N 2 0 371.319 3.478 20 0 FGADRP COc1cccc(C[C@H](C)[NH2+]C[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)n1 ZINC000415001121 499853419 /nfs/dbraw/zinc/85/34/19/499853419.db2.gz KPFYDKGNDFMXOZ-RIFZZMRRSA-N 2 0 357.473 3.143 20 0 FGADRP COc1cc([C@@H](C)[NH2+][C@H]2CCC[NH2+]CC2)ccc1OCc1ccncc1 ZINC000415084235 499862000 /nfs/dbraw/zinc/86/20/00/499862000.db2.gz GIRNUCIISNPVOI-APWZRJJASA-N 2 0 355.482 3.462 20 0 FGADRP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1ccc(Cn2ccccc2=O)cc1 ZINC000415088564 499862297 /nfs/dbraw/zinc/86/22/97/499862297.db2.gz XSJXXGODWCFRBF-GHTZIAJQSA-N 2 0 353.510 3.297 20 0 FGADRP c1ccc(-c2noc([C@@]34CCC[C@@H]3C[N@@H+](C[C@H]3CCC[NH2+]C3)C4)n2)cc1 ZINC000415102872 499864059 /nfs/dbraw/zinc/86/40/59/499864059.db2.gz JGRCYEHXBSPXFN-YRISNDGFSA-N 2 0 352.482 3.090 20 0 FGADRP FC(F)(F)c1cccc(CN2CCC([NH2+]C[C@H]3CCC[NH2+]C3)CC2)c1 ZINC000415105466 499864363 /nfs/dbraw/zinc/86/43/63/499864363.db2.gz MIERXSGZBPOXAL-INIZCTEOSA-N 2 0 355.448 3.259 20 0 FGADRP [NH3+]C1(CNCc2cc(F)c(F)cc2F)CC[NH+](Cc2ccccc2)CC1 ZINC000415123478 499866581 /nfs/dbraw/zinc/86/65/81/499866581.db2.gz AYONEQYWXYINRF-UHFFFAOYSA-N 2 0 363.427 3.187 20 0 FGADRP [NH3+][C@@H]1CCO[C@@H](C2CC[NH+](Cc3cc(Br)cs3)CC2)C1 ZINC000415124238 499866999 /nfs/dbraw/zinc/86/69/99/499866999.db2.gz MJDGXIXBJJEECU-UKRRQHHQSA-N 2 0 359.333 3.229 20 0 FGADRP CC(C)c1ncc(C[NH2+]CC2(N)CC[NH+](Cc3ccccc3)CC2)s1 ZINC000415126906 499867101 /nfs/dbraw/zinc/86/71/01/499867101.db2.gz HHDQWQGSZKJYKZ-UHFFFAOYSA-N 2 0 358.555 3.350 20 0 FGADRP CC1CC[NH+](CCc2cccc(NC(=O)N(C3CC3)[C@@H]3CC[NH2+]C3)c2)CC1 ZINC000415391682 499890978 /nfs/dbraw/zinc/89/09/78/499890978.db2.gz MCLPDALVAAVCAY-OAQYLSRUSA-N 2 0 370.541 3.319 20 0 FGADRP CC[NH+](CC)Cc1cccc(NC(=O)C(=O)Nc2ccc([C@H](C)[NH3+])cc2)c1 ZINC000415466091 499894839 /nfs/dbraw/zinc/89/48/39/499894839.db2.gz QLKXZNHZORQNSE-HNNXBMFYSA-N 2 0 368.481 3.125 20 0 FGADRP CC1CCC([NH+]2CCN(C(=O)Nc3ccc4c(c3)C[NH2+]CC4)CC2)CC1 ZINC000415881742 499924038 /nfs/dbraw/zinc/92/40/38/499924038.db2.gz JKWFCNYGTWTXOX-UHFFFAOYSA-N 2 0 356.514 3.061 20 0 FGADRP CC[C@@H](C)[NH2+][C@H](CNC(=O)Nc1ccc2c(c1)C[NH2+]CC2)c1ccco1 ZINC000415894567 499925155 /nfs/dbraw/zinc/92/51/55/499925155.db2.gz MKWJHHJNDGKESN-RDTXWAMCSA-N 2 0 356.470 3.176 20 0 FGADRP Cc1ccccc1[C@@H]([C@@H](C)NC(=O)Nc1ccc2c(c1)C[NH2+]CC2)[NH+](C)C ZINC000415893377 499925316 /nfs/dbraw/zinc/92/53/16/499925316.db2.gz KJYJTDINWCNGPZ-IIBYNOLFSA-N 2 0 366.509 3.454 20 0 FGADRP C[NH2+]Cc1ccccc1NC(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000415913615 499927520 /nfs/dbraw/zinc/92/75/20/499927520.db2.gz PYVKIOFXLMRUCM-IBGZPJMESA-N 2 0 352.482 3.192 20 0 FGADRP C[NH2+]Cc1cccc(NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)c1 ZINC000415931045 499929864 /nfs/dbraw/zinc/92/98/64/499929864.db2.gz LFPPUUXMLSATFY-OXQOHEQNSA-N 2 0 352.482 3.191 20 0 FGADRP CC[C@@H]1CN(C(=O)Nc2ccc(C[NH3+])cc2)CC[N@@H+]1Cc1ccccc1 ZINC000415961932 499934003 /nfs/dbraw/zinc/93/40/03/499934003.db2.gz SAUPBAFCJCUMMS-HXUWFJFHSA-N 2 0 352.482 3.274 20 0 FGADRP CCc1ccc([C@@H](CNC(=O)Nc2ccc(OCC[NH3+])cc2)[NH+](C)C)cc1 ZINC000415965820 499934582 /nfs/dbraw/zinc/93/45/82/499934582.db2.gz VJMVTRADVAEUPT-HXUWFJFHSA-N 2 0 370.497 3.011 20 0 FGADRP C[C@@H](CNC(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1)[N@@H+]1CCC[C@@H](C)C1 ZINC000415966375 499934688 /nfs/dbraw/zinc/93/46/88/499934688.db2.gz GLIUUOQXCIBIAA-OLZOCXBDSA-N 2 0 372.435 3.406 20 0 FGADRP [NH3+]Cc1ccc(NC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC000415965856 499934730 /nfs/dbraw/zinc/93/47/30/499934730.db2.gz ZCZJEMOTBNRZPW-UHFFFAOYSA-N 2 0 352.482 3.453 20 0 FGADRP CC1(C)CN(C(=O)Nc2ccc(C[NH3+])cc2)CC[N@@H+]1Cc1ccccc1 ZINC000415966663 499934931 /nfs/dbraw/zinc/93/49/31/499934931.db2.gz ARPYCUIVYGINPK-UHFFFAOYSA-N 2 0 352.482 3.274 20 0 FGADRP C[NH2+]Cc1ccc(NC(=O)N(C)C2CC[NH+](CCC(F)(F)F)CC2)cc1 ZINC000415979887 499936842 /nfs/dbraw/zinc/93/68/42/499936842.db2.gz FBRWTYYEWWAUCU-UHFFFAOYSA-N 2 0 372.435 3.287 20 0 FGADRP CC[C@@H](C)[NH2+][C@@H](CNC(=O)Nc1ccc2c(c1)C[NH2+]CCO2)c1ccco1 ZINC000415979729 499936947 /nfs/dbraw/zinc/93/69/47/499936947.db2.gz XUIOOOVPVQVPAV-PBHICJAKSA-N 2 0 372.469 3.013 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)Nc1ccc(C[NH2+]C)cc1)Cc1ccccc1 ZINC000415992215 499938571 /nfs/dbraw/zinc/93/85/71/499938571.db2.gz QSOQCUQFVXBBRG-NRFANRHFSA-N 2 0 368.525 3.481 20 0 FGADRP O=C(Nc1ccc2c(c1)C[NH2+]C2)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000416001823 499939944 /nfs/dbraw/zinc/93/99/44/499939944.db2.gz CKLGDHXEAVKMLW-UHFFFAOYSA-N 2 0 350.466 3.030 20 0 FGADRP CC1CC[NH+](CCCCNC(=O)N[C@H](CCC[NH3+])c2ccccc2)CC1 ZINC000417037171 499953995 /nfs/dbraw/zinc/95/39/95/499953995.db2.gz UPOASIMDTLCVOL-HXUWFJFHSA-N 2 0 360.546 3.278 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)N[C@@H](CCC[NH3+])c2ccccc2)C1 ZINC000417045976 499957389 /nfs/dbraw/zinc/95/73/89/499957389.db2.gz YXUCCIRVIJKHJY-NSHGMRRFSA-N 2 0 360.546 3.134 20 0 FGADRP C[NH+](C)[C@H](CC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1)c1ccccc1 ZINC000416177572 499969737 /nfs/dbraw/zinc/96/97/37/499969737.db2.gz GEHNQAVOBFLFDH-SJBKTWHCSA-N 2 0 351.494 3.241 20 0 FGADRP C[C@@H](NC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)C(C)(C)C[NH+](C)C ZINC000428970218 499971106 /nfs/dbraw/zinc/97/11/06/499971106.db2.gz XSEBRIBWUWCXDT-QWFCFKBJSA-N 2 0 374.573 3.173 20 0 FGADRP C[C@@H](NC(=O)CC[N@@H+]1CCc2ccccc2C1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000416189164 499974220 /nfs/dbraw/zinc/97/42/20/499974220.db2.gz ACUNMJUDLDBMRT-QUCCMNQESA-N 2 0 369.553 3.204 20 0 FGADRP C[C@H](NC(=O)C[C@H](c1ccccc1)[NH+](C)C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000416201215 499979096 /nfs/dbraw/zinc/97/90/96/499979096.db2.gz RKAWZEHNVOGROD-FBBABVLZSA-N 2 0 357.542 3.449 20 0 FGADRP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000413624262 500006042 /nfs/dbraw/zinc/00/60/42/500006042.db2.gz JHTGGKIOHBIURA-LEWJYISDSA-N 2 0 355.526 3.229 20 0 FGADRP O=C(NCC[C@H]1CCC[NH2+]C1)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000417328622 500041382 /nfs/dbraw/zinc/04/13/82/500041382.db2.gz CPJIZWTULQHXMS-LJQANCHMSA-N 2 0 372.557 3.252 20 0 FGADRP C[C@@H]([NH3+])C1CCN(C(=O)NCc2cccc(C[NH+]3CCC(C)CC3)c2)CC1 ZINC000417466448 500081995 /nfs/dbraw/zinc/08/19/95/500081995.db2.gz KINRCWBVCYINPI-GOSISDBHSA-N 2 0 372.557 3.187 20 0 FGADRP CC1CC[NH+](Cc2cccc(CNC(=O)NCC[C@H]3CCC[NH2+]C3)c2)CC1 ZINC000417469195 500082952 /nfs/dbraw/zinc/08/29/52/500082952.db2.gz PTVORTBKBUVFMS-LJQANCHMSA-N 2 0 372.557 3.107 20 0 FGADRP C[C@H](CCCC[NH3+])NC(=O)NCc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000417472738 500083484 /nfs/dbraw/zinc/08/34/84/500083484.db2.gz XYFKANWDIQNWPW-GOSISDBHSA-N 2 0 360.546 3.235 20 0 FGADRP CN(CC(C)(C)C[NH3+])C(=O)c1cccc(C[N@H+](C)Cc2ccccc2)c1 ZINC000429508073 500090256 /nfs/dbraw/zinc/09/02/56/500090256.db2.gz FREILVHLRKKRLV-UHFFFAOYSA-N 2 0 353.510 3.376 20 0 FGADRP C[C@@H]([NH3+])c1ccc(CNC(=O)NC[C@@H](C)[N@H+](C)Cc2ccccc2)cc1 ZINC000417587094 500118900 /nfs/dbraw/zinc/11/89/00/500118900.db2.gz NMXBFGLSMTYBPZ-IAGOWNOFSA-N 2 0 354.498 3.026 20 0 FGADRP CN(C[C@H]1CCC[N@@H+]1C)C(=O)c1cccc(C[NH+](C)Cc2ccccc2)c1 ZINC000421704094 500122557 /nfs/dbraw/zinc/12/25/57/500122557.db2.gz NTSODPZFQHYKQV-JOCHJYFZSA-N 2 0 365.521 3.485 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N1CCC([C@H]2CCC[NH2+]2)CC1)c1ccccc1 ZINC000416842043 500135180 /nfs/dbraw/zinc/13/51/80/500135180.db2.gz MOGJXAOBYJZFHI-NHCUHLMSSA-N 2 0 372.557 3.243 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N1CCC[C@@H]([NH2+]C)C1)c1ccccc1Cl ZINC000416844248 500136321 /nfs/dbraw/zinc/13/63/21/500136321.db2.gz PYMXKWVXFRWZKM-CRAIPNDOSA-N 2 0 366.937 3.116 20 0 FGADRP CCCN(C(=O)NCc1ccccc1C[NH+]1CCCCC1)C1CC[NH2+]CC1 ZINC000416903166 500151647 /nfs/dbraw/zinc/15/16/47/500151647.db2.gz MTMHMUAQCDVDRU-UHFFFAOYSA-N 2 0 372.557 3.346 20 0 FGADRP CCCN(C(=O)NCC(C)(C)[NH2+][C@H](C)c1ccccc1)C1CC[NH2+]CC1 ZINC000417699722 500151749 /nfs/dbraw/zinc/15/17/49/500151749.db2.gz HYCLGNHCIWNHQX-QGZVFWFLSA-N 2 0 360.546 3.289 20 0 FGADRP CCC(CC)(CNC(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1)[NH2+][C@@H](C)c1ccccc1 ZINC000417706493 500153306 /nfs/dbraw/zinc/15/33/06/500153306.db2.gz PAZOECGQBGNOOF-YSIASYRMSA-N 2 0 372.557 3.147 20 0 FGADRP C[C@H]([NH2+]C1(CNC(=O)NC[C@@H]2CCC[C@H]([NH3+])C2)CCCC1)c1ccccc1 ZINC000417708208 500153922 /nfs/dbraw/zinc/15/39/22/500153922.db2.gz RLLXGJUFSZJHAT-NSHGMRRFSA-N 2 0 372.557 3.467 20 0 FGADRP C[C@H]([NH2+]C1(CNC(=O)NC[C@H]2CCC[C@H]([NH3+])C2)CCCC1)c1ccccc1 ZINC000417707945 500154353 /nfs/dbraw/zinc/15/43/53/500154353.db2.gz RLLXGJUFSZJHAT-BJLQDIEVSA-N 2 0 372.557 3.467 20 0 FGADRP CCC(CC)(CNC(=O)N1CC[C@H]([NH3+])[C@H](C)C1)[NH2+][C@@H](C)c1ccccc1 ZINC000417709548 500154379 /nfs/dbraw/zinc/15/43/79/500154379.db2.gz SXYCJJZPSZKNSL-AOIWGVFYSA-N 2 0 360.546 3.275 20 0 FGADRP CC(C)Cn1ccnc1CNC(=O)NC[C@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000417742216 500161745 /nfs/dbraw/zinc/16/17/45/500161745.db2.gz VWPSRSKKMDLBOJ-SFHVURJKSA-N 2 0 357.502 3.162 20 0 FGADRP COC1([C@@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H]2CO)CCCCC1 ZINC000421834322 500162080 /nfs/dbraw/zinc/16/20/80/500162080.db2.gz CAVLPCSZRIBLCY-NQIIRXRSSA-N 2 0 360.542 3.471 20 0 FGADRP C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)NCc2ccc(C[NH+]3CCC(C)CC3)cc2)C1 ZINC000416973343 500171203 /nfs/dbraw/zinc/17/12/03/500171203.db2.gz JSGMFVDMTUBGRH-WIYYLYMNSA-N 2 0 372.557 3.187 20 0 FGADRP CC1CC[NH+](Cc2ccc(CNC(=O)N(C)CC(C)(C)C[NH3+])cc2)CC1 ZINC000416974450 500172136 /nfs/dbraw/zinc/17/21/36/500172136.db2.gz LLOLNGKPHHTLHO-UHFFFAOYSA-N 2 0 360.546 3.045 20 0 FGADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N(C2CC2)[C@@H]2CC[NH2+]C2)cc1 ZINC000416975932 500172779 /nfs/dbraw/zinc/17/27/79/500172779.db2.gz NMNOHZHDSVKNOG-LAUBAEHRSA-N 2 0 370.541 3.097 20 0 FGADRP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)NCc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)C1 ZINC000416979441 500173841 /nfs/dbraw/zinc/17/38/41/500173841.db2.gz SKVNALGZVHXJEC-BBTUJRGHSA-N 2 0 372.557 3.330 20 0 FGADRP C[C@H]1CC[N@H+](C)CCN1C(=O)Nc1ccccc1-c1ncc2n1CCCC2 ZINC000425674569 500177855 /nfs/dbraw/zinc/17/78/55/500177855.db2.gz PFDUWHAMKNPQOH-INIZCTEOSA-N 2 0 367.497 3.444 20 0 FGADRP C[NH2+]C[C@@H]1CCCN1C(=O)NCc1ccc(C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000416997948 500179822 /nfs/dbraw/zinc/17/98/22/500179822.db2.gz WLRQLUURIQTVFA-OPYAIIAOSA-N 2 0 372.557 3.058 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000417828972 500179958 /nfs/dbraw/zinc/17/99/58/500179958.db2.gz QVXNVHONTSTBEM-UIFIKXQLSA-N 2 0 372.557 3.104 20 0 FGADRP CCCN(C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)C1CC[NH2+]CC1 ZINC000417833826 500180304 /nfs/dbraw/zinc/18/03/04/500180304.db2.gz UWGMTOLRNMWWAW-WIYYLYMNSA-N 2 0 372.557 3.071 20 0 FGADRP C[C@@H]1C[C@@H](NC(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)CC[N@@H+]1Cc1ccccc1 ZINC000417852490 500184273 /nfs/dbraw/zinc/18/42/73/500184273.db2.gz ZKTRXQMRZQHTIC-XCJLJZCSSA-N 2 0 372.557 3.104 20 0 FGADRP CC1CC[NH+](CCCCNC(=O)N2CCCC[C@@H]2[C@H]2CCC[NH2+]C2)CC1 ZINC000417021538 500185877 /nfs/dbraw/zinc/18/58/77/500185877.db2.gz GSNLDAKCKAGJPO-VQTJNVASSA-N 2 0 364.578 3.062 20 0 FGADRP CC[NH+](CC)CCOc1ccccc1CNC(=O)c1ccc([C@@H](C)[NH3+])cc1 ZINC000579468526 506181695 /nfs/dbraw/zinc/18/16/95/506181695.db2.gz HKRBQMUDTBEEHT-QGZVFWFLSA-N 2 0 369.509 3.357 20 0 FGADRP C[C@@H]1C[C@H](CCNC(=O)N[C@@H](C[NH3+])C2CCCC2)C[N@@H+]1Cc1ccccc1 ZINC000417927770 500199600 /nfs/dbraw/zinc/19/96/00/500199600.db2.gz QLFMTSCDDJXAEK-LMNJBCLMSA-N 2 0 372.557 3.104 20 0 FGADRP C[C@@H]1C[C@H](CCNC(=O)N2CCC[C@@H](CC[NH3+])C2)C[N@@H+]1Cc1ccccc1 ZINC000417935038 500200535 /nfs/dbraw/zinc/20/05/35/500200535.db2.gz ZCSRNPKFAZLJKB-GIVPXCGWSA-N 2 0 372.557 3.058 20 0 FGADRP CC[NH+](CC)CCOc1ccccc1CNC(=O)c1ccc([C@H](C)[NH3+])cc1 ZINC000579468525 506182142 /nfs/dbraw/zinc/18/21/42/506182142.db2.gz HKRBQMUDTBEEHT-KRWDZBQOSA-N 2 0 369.509 3.357 20 0 FGADRP C[C@H](NC(=O)N[C@H](C[NH3+])C1CCCCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000417984005 500209172 /nfs/dbraw/zinc/20/91/72/500209172.db2.gz CCFIKUODZPJMSJ-DZFGPLHGSA-N 2 0 372.557 3.104 20 0 FGADRP Cc1ccc([C@@H]2OCCC[C@H]2[NH2+]Cc2cc(C3CC[NH2+]CC3)no2)cc1 ZINC000425899101 500209639 /nfs/dbraw/zinc/20/96/39/500209639.db2.gz KQLXXRCOLOZQJM-CTNGQTDRSA-N 2 0 355.482 3.460 20 0 FGADRP C[NH+](C)C1CCC(NC(=O)NCC2([NH+]3CCCCC3)CCCCC2)CC1 ZINC000422129749 500217273 /nfs/dbraw/zinc/21/72/73/500217273.db2.gz HGJHPAYOHINUBB-UHFFFAOYSA-N 2 0 364.578 3.347 20 0 FGADRP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)CC[C@@H]([NH3+])c2ccccc2)CC1 ZINC000579470268 506182964 /nfs/dbraw/zinc/18/29/64/506182964.db2.gz CFJLPSMUIMLTTP-LAUBAEHRSA-N 2 0 366.509 3.203 20 0 FGADRP C[C@@H](NC(=O)N(CCC[NH3+])Cc1ccccc1)[C@H](c1ccccc1)[NH+](C)C ZINC000418160228 500239213 /nfs/dbraw/zinc/23/92/13/500239213.db2.gz BDKIRJMKHSHQGR-WIYYLYMNSA-N 2 0 368.525 3.238 20 0 FGADRP CCCC[C@H](C[NH3+])NC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000418161112 500239719 /nfs/dbraw/zinc/23/97/19/500239719.db2.gz SNEFANTYKOIWJC-MOPGFXCFSA-N 2 0 360.546 3.104 20 0 FGADRP C[N@H+](CCC(=O)N[C@@H](c1cccs1)c1ccccc1)CC(C)(C)C[NH3+] ZINC000430560092 500254999 /nfs/dbraw/zinc/25/49/99/500254999.db2.gz YZLCXNWLOBQTDJ-LJQANCHMSA-N 2 0 359.539 3.261 20 0 FGADRP CC(C)[C@@H]([NH3+])CC[N@H+](C)CCC(=O)Nc1ccccc1Br ZINC000430576605 500257192 /nfs/dbraw/zinc/25/71/92/500257192.db2.gz SJBMYPKIKJJGDK-AWEZNQCLSA-N 2 0 356.308 3.083 20 0 FGADRP C[N@H+](CCCCNC(=O)N[C@@H](C[NH3+])c1ccc2ccccc2c1)C1CC1 ZINC000418271373 500257970 /nfs/dbraw/zinc/25/79/70/500257970.db2.gz SZCUZURUPMZRKK-FQEVSTJZSA-N 2 0 354.498 3.013 20 0 FGADRP CC[NH2+]CC1CC[NH+](CC(=O)N(Cc2ccccc2)[C@@H](C)C2CC2)CC1 ZINC000430584985 500258491 /nfs/dbraw/zinc/25/84/91/500258491.db2.gz QTYCGTKNWXPYSA-SFHVURJKSA-N 2 0 357.542 3.135 20 0 FGADRP Cc1ccc([C@H]([NH3+])C(=O)Nc2ccc(OCC[N@H+]3CC[C@H](C)C3)cc2)cc1 ZINC000430606488 500261693 /nfs/dbraw/zinc/26/16/93/500261693.db2.gz VYRDHVFRYKJRTR-UWJYYQICSA-N 2 0 367.493 3.354 20 0 FGADRP CC(C)c1nnc(CC[NH2+][C@@H](C)c2cccc(OCC[NH+](C)C)c2)s1 ZINC000426341036 500262089 /nfs/dbraw/zinc/26/20/89/500262089.db2.gz YGDZMOXMGZPJRX-HNNXBMFYSA-N 2 0 362.543 3.495 20 0 FGADRP CC(C)c1nnc(CC[NH2+][C@H](C)c2cccc(OCC[NH+](C)C)c2)s1 ZINC000426341037 500262159 /nfs/dbraw/zinc/26/21/59/500262159.db2.gz YGDZMOXMGZPJRX-OAHLLOKOSA-N 2 0 362.543 3.495 20 0 FGADRP [NH3+]CC1CC[NH+](Cc2ncc(-c3ccc(Br)cc3)o2)CC1 ZINC000430639722 500264585 /nfs/dbraw/zinc/26/45/85/500264585.db2.gz IUFKPTKPDVNRKT-UHFFFAOYSA-N 2 0 350.260 3.275 20 0 FGADRP CCC[C@@H]1CN(C(=O)N[C@@H](C)[C@@H]2CCC[NH2+]C2)CC[N@@H+]1Cc1ccccc1 ZINC000418338133 500264882 /nfs/dbraw/zinc/26/48/82/500264882.db2.gz JQBWIWQULIYJMC-CEWLAPEOSA-N 2 0 372.557 3.071 20 0 FGADRP CC(C)c1ccc([C@@H]([NH3+])CNC(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)cc1 ZINC000418354365 500267462 /nfs/dbraw/zinc/26/74/62/500267462.db2.gz OJEXOULQWFLONP-PMACEKPBSA-N 2 0 360.546 3.326 20 0 FGADRP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000418355011 500267582 /nfs/dbraw/zinc/26/75/82/500267582.db2.gz FJGADPTVKXTTNO-FPOVZHCZSA-N 2 0 372.557 3.058 20 0 FGADRP C[C@@H]1C[C@H](N(C)C(=O)N[C@@H]2CCCC[C@H]2C[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000418407835 500273166 /nfs/dbraw/zinc/27/31/66/500273166.db2.gz MDCVTXZCUDKRMQ-GFOJFJKKSA-N 2 0 372.557 3.198 20 0 FGADRP COc1cc(C[N@@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)ccc1OCc1ccncc1 ZINC000422562037 500274736 /nfs/dbraw/zinc/27/47/36/500274736.db2.gz PBFILSZGJCCQDB-QKLQHJQFSA-N 2 0 369.509 3.474 20 0 FGADRP CC(C)C[C@H](C[NH3+])NC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000418431027 500276128 /nfs/dbraw/zinc/27/61/28/500276128.db2.gz WBFZKQFPLZVEKB-NJDAHSKKSA-N 2 0 372.557 3.056 20 0 FGADRP CC[NH+](CC)CC1CC[NH+](Cc2ccnn2-c2ccccc2OC)CC1 ZINC000430727769 500276243 /nfs/dbraw/zinc/27/62/43/500276243.db2.gz IHMUTYMITQLNAZ-UHFFFAOYSA-N 2 0 356.514 3.435 20 0 FGADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)[C@H](C[NH3+])c2ccccc2)cc1 ZINC000430754737 500279745 /nfs/dbraw/zinc/27/97/45/500279745.db2.gz NFDLILWUAAVMQZ-PGRDOPGGSA-N 2 0 365.521 3.420 20 0 FGADRP Cc1cnccc1OC1CCN(C(=O)NCc2ccc([C@@H](C)[NH3+])cc2)CC1 ZINC000418486909 500282543 /nfs/dbraw/zinc/28/25/43/500282543.db2.gz IZTWWVLFJWBPCD-MRXNPFEDSA-N 2 0 368.481 3.163 20 0 FGADRP CCOC(=O)C1([C@H](C)[NH2+]CC2(c3ccc(Cl)cc3)CC2)CC[NH2+]CC1 ZINC000422708505 500287797 /nfs/dbraw/zinc/28/77/97/500287797.db2.gz XXRIRDXNXWQKED-HNNXBMFYSA-N 2 0 364.917 3.283 20 0 FGADRP c1cc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)cc(COC2CCOCC2)c1 ZINC000422714345 500288595 /nfs/dbraw/zinc/28/85/95/500288595.db2.gz QWRUDNLOUWGDKL-FDFHNCONSA-N 2 0 358.526 3.393 20 0 FGADRP COC[C@@H](CCC[NH3+])[NH2+]C1CCN(Cc2cccc(C(F)(F)F)c2)CC1 ZINC000422715191 500288752 /nfs/dbraw/zinc/28/87/52/500288752.db2.gz RXVAYZHQIXSLLG-GOSISDBHSA-N 2 0 373.463 3.013 20 0 FGADRP Cc1ccc([C@H](C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)N2CCOCC2)cc1 ZINC000422716292 500289158 /nfs/dbraw/zinc/28/91/58/500289158.db2.gz UEKFHOQSOOCYDJ-ODAXIHTASA-N 2 0 371.569 3.269 20 0 FGADRP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@@H]2[NH2+]CCc1ccc2c(c1)CCO2 ZINC000422731657 500291553 /nfs/dbraw/zinc/29/15/53/500291553.db2.gz NVRRPSWGOWKVLI-SIKLNZKXSA-N 2 0 350.462 3.010 20 0 FGADRP [NH3+]CC1CCC([NH2+][C@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)CC1 ZINC000422737708 500292123 /nfs/dbraw/zinc/29/21/23/500292123.db2.gz XSJAJDHZTUDJKF-UYJHFMRCSA-N 2 0 355.448 3.387 20 0 FGADRP O=C(c1ccccc1)N1CCC(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)CC1 ZINC000422759420 500294655 /nfs/dbraw/zinc/29/46/55/500294655.db2.gz KDSMOUABPJIRAU-PWRODBHTSA-N 2 0 355.526 3.049 20 0 FGADRP CCOC(=O)C1([C@H](C)[NH2+]Cc2ccc(-c3ccncc3)cc2)CC[NH2+]CC1 ZINC000422761177 500295295 /nfs/dbraw/zinc/29/52/95/500295295.db2.gz HIVFLLGWZNIWDB-KRWDZBQOSA-N 2 0 367.493 3.160 20 0 FGADRP CCCN(C(=O)N[C@@H]1CC[NH2+]C[C@H]1C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000418602542 500296138 /nfs/dbraw/zinc/29/61/38/500296138.db2.gz VUOBBTZYDYXNML-HMXCVIKNSA-N 2 0 372.557 3.071 20 0 FGADRP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCc1ccn(-c2ccc(F)cc2)n1 ZINC000422779936 500296479 /nfs/dbraw/zinc/29/64/79/500296479.db2.gz CKEUGFHATZVXGM-IERDGZPVSA-N 2 0 352.457 3.102 20 0 FGADRP c1sc(-c2ccccc2)nc1CC[NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000422784349 500297629 /nfs/dbraw/zinc/29/76/29/500297629.db2.gz LWGHBJYMSVPRKP-GBESFXJTSA-N 2 0 357.523 3.099 20 0 FGADRP CCOC(=O)C1([C@@H](C)[NH2+][C@@H](c2ccc(OC)cc2)C(C)C)CC[NH2+]CC1 ZINC000422793257 500298163 /nfs/dbraw/zinc/29/81/63/500298163.db2.gz WUJPOCOMCZOLMT-VQIMIIECSA-N 2 0 362.514 3.303 20 0 FGADRP CCc1ccc([C@H]([NH2+][C@H](C)CCC[NH3+])c2cccc(S(C)(=O)=O)c2)cc1 ZINC000422797876 500298832 /nfs/dbraw/zinc/29/88/32/500298832.db2.gz OWCIISZWSLKUKQ-IERDGZPVSA-N 2 0 374.550 3.459 20 0 FGADRP CCOC(=O)C1([C@@H](C)[NH2+]Cc2ccc(C(F)(F)F)cc2)CC[NH2+]CC1 ZINC000422797917 500298971 /nfs/dbraw/zinc/29/89/71/500298971.db2.gz PBNRJDMSQKDLHB-CYBMUJFWSA-N 2 0 358.404 3.116 20 0 FGADRP CC[N@H+](CCC1CCN(C(=O)NCCC2=CC[NH2+]CC2)CC1)CC(C)C ZINC000418641505 500299144 /nfs/dbraw/zinc/29/91/44/500299144.db2.gz NLMGSQFSTWCYGX-UHFFFAOYSA-N 2 0 364.578 3.086 20 0 FGADRP Cc1cccc(N2CC[NH+](CCCN[C@@H]3C[C@@H]([NH3+])c4ccccc43)CC2)c1 ZINC000422809121 500300371 /nfs/dbraw/zinc/30/03/71/500300371.db2.gz PHMKINDUTJOGKM-DHIUTWEWSA-N 2 0 364.537 3.242 20 0 FGADRP CC(C)(C)CC[NH+]1CCN(C(=O)N[C@H](CCC[NH3+])c2ccccc2)CC1 ZINC000418653428 500301107 /nfs/dbraw/zinc/30/11/07/500301107.db2.gz AMFDJFZSQRRGLU-LJQANCHMSA-N 2 0 360.546 3.230 20 0 FGADRP CCc1ccccc1[C@@H]([NH3+])CNC(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000418655612 500301718 /nfs/dbraw/zinc/30/17/18/500301718.db2.gz RCJPNSYNKBLUPK-FQEVSTJZSA-N 2 0 360.546 3.012 20 0 FGADRP C[C@H]([NH2+]CCCOC1CC[NH+](Cc2ccccc2)CC1)[C@H]1CCCC[NH2+]1 ZINC000422820315 500301685 /nfs/dbraw/zinc/30/16/85/500301685.db2.gz PXEMRNALSKGRFO-SIKLNZKXSA-N 3 0 359.558 3.178 20 0 FGADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]CCOc1c(Cl)cc(Cl)cc1Cl ZINC000422833423 500303234 /nfs/dbraw/zinc/30/32/34/500303234.db2.gz GVFYGRRCLAAKAA-DRCTWCGVSA-N 2 0 367.704 3.368 20 0 FGADRP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1 ZINC000422837641 500304353 /nfs/dbraw/zinc/30/43/53/500304353.db2.gz MQTFMTLELFSHGW-GHTZIAJQSA-N 3 0 359.558 3.044 20 0 FGADRP C[C@@H](CCCC[NH3+])NC(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000418669300 500304757 /nfs/dbraw/zinc/30/47/57/500304757.db2.gz HYUWILFBGYZNBB-UGKGYDQZSA-N 2 0 372.557 3.202 20 0 FGADRP CCOC(=O)C1([C@@H](C)[NH2+]CC(C)(C)c2ccccc2F)CC[NH2+]CC1 ZINC000422846941 500305470 /nfs/dbraw/zinc/30/54/70/500305470.db2.gz HAEPTSHQIFHMGK-OAHLLOKOSA-N 2 0 350.478 3.014 20 0 FGADRP COC[C@@H](CCC[NH3+])[NH2+][C@H](C)c1cccc(NC(=O)c2ccccc2)c1 ZINC000422860845 500306799 /nfs/dbraw/zinc/30/67/99/500306799.db2.gz LXJLWEALCLCDLO-OXQOHEQNSA-N 2 0 355.482 3.343 20 0 FGADRP O=C(c1ccccc1F)N1CCC([NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)CC1 ZINC000422861164 500306839 /nfs/dbraw/zinc/30/68/39/500306839.db2.gz MJNCBOPJDIJAQH-HMXCVIKNSA-N 2 0 373.516 3.331 20 0 FGADRP Cc1ccc(C[NH2+][C@H](C)c2ccc(C[NH3+])nc2C)c(O[C@@H]2CCOC2)c1 ZINC000422872278 500307913 /nfs/dbraw/zinc/30/79/13/500307913.db2.gz GLIKMFQXJIYGAS-DNVCBOLYSA-N 2 0 355.482 3.176 20 0 FGADRP C[NH2+]CC1CC[NH+](CCC(=O)N[C@@H](c2cccs2)c2ccccc2)CC1 ZINC000430929464 500308435 /nfs/dbraw/zinc/30/84/35/500308435.db2.gz XDMADYGKPZMKAP-OAQYLSRUSA-N 2 0 371.550 3.275 20 0 FGADRP COc1ccc(CC[NH2+][C@H](C)c2ccc(C[NH3+])nc2C)cc1OC(F)F ZINC000422877282 500308968 /nfs/dbraw/zinc/30/89/68/500308968.db2.gz HQZZRWLDZLYKBO-GFCCVEGCSA-N 2 0 365.424 3.352 20 0 FGADRP C[C@@H](NC(=O)N1CC(C)(C)[C@H]1C1CC[NH+](Cc2ccccc2)CC1)[C@H](C)[NH3+] ZINC000418711630 500310691 /nfs/dbraw/zinc/31/06/91/500310691.db2.gz WNLHCNPYIWDKRC-SQGPQFPESA-N 2 0 372.557 3.054 20 0 FGADRP COc1cccc(C2(C[NH2+][C@@H]3CCOC[C@H]3[C@@H]3CCC[NH2+]3)CCCC2)c1 ZINC000422890082 500311497 /nfs/dbraw/zinc/31/14/97/500311497.db2.gz RCDQKLUTSLKTEO-PCCBWWKXSA-N 2 0 358.526 3.254 20 0 FGADRP CC[N@H+](CCC1CCN(C(=O)NC[C@@H]2CCC[C@H]([NH3+])C2)CC1)CC1CC1 ZINC000418721216 500312239 /nfs/dbraw/zinc/31/22/39/500312239.db2.gz MAGFFIMCTNXGAZ-UXHICEINSA-N 2 0 364.578 3.048 20 0 FGADRP CC[NH+](CC)CCOc1ccccc1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000422895623 500312547 /nfs/dbraw/zinc/31/25/47/500312547.db2.gz WJPBAXPNNCMMOU-QHAWAJNXSA-N 3 0 359.558 3.418 20 0 FGADRP COc1ccc(Cl)cc1C1(C[NH2+][C@@H]2CC[NH2+]CC[C@@H]2C)CCOCC1 ZINC000422897228 500313287 /nfs/dbraw/zinc/31/32/87/500313287.db2.gz BNWZMFBGVDSMMH-MAUKXSAKSA-N 2 0 366.933 3.375 20 0 FGADRP COc1ccc(Cl)cc1N1CC[C@@H]([NH2+][C@H](C)c2ccc(C[NH3+])nc2C)C1 ZINC000422901355 500314157 /nfs/dbraw/zinc/31/41/57/500314157.db2.gz BVBRREIYLJMUFM-RHSMWYFYSA-N 2 0 374.916 3.440 20 0 FGADRP COc1cccc(N2CC[C@@H](C[NH2+][C@H](C)c3ccc(C[NH3+])nc3C)C2)c1 ZINC000422906874 500314328 /nfs/dbraw/zinc/31/43/28/500314328.db2.gz VXYZFYQMHVUWER-WBVHZDCISA-N 2 0 354.498 3.034 20 0 FGADRP COc1ccccc1Oc1ccc(C[NH2+][C@@H]2CCOC[C@H]2[C@@H](C)[NH3+])cc1 ZINC000422905710 500314715 /nfs/dbraw/zinc/31/47/15/500314715.db2.gz IUEUNAGDTDEJRJ-AYOQOUSVSA-N 2 0 356.466 3.329 20 0 FGADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]CCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000422905349 500314732 /nfs/dbraw/zinc/31/47/32/500314732.db2.gz HZAPPXKGBIXIMA-AJSBUHFISA-N 3 0 373.585 3.063 20 0 FGADRP COc1cccc(N2CC[C@H](C[NH2+][C@H](C)c3ccc(C[NH3+])nc3C)C2)c1 ZINC000422906870 500314930 /nfs/dbraw/zinc/31/49/30/500314930.db2.gz VXYZFYQMHVUWER-NVXWUHKLSA-N 2 0 354.498 3.034 20 0 FGADRP [NH3+]CC1CCC([NH2+][C@@H](Cc2ccccc2)C(=O)Nc2ccccc2)CC1 ZINC000422912478 500315372 /nfs/dbraw/zinc/31/53/72/500315372.db2.gz WGFJWUGYEUMXPI-MNLRITNHSA-N 2 0 351.494 3.344 20 0 FGADRP CCc1nc(CN2CCC(C[NH2+][C@@H]3CCCC[C@@H]3C[NH3+])CC2)cs1 ZINC000422916091 500316130 /nfs/dbraw/zinc/31/61/30/500316130.db2.gz ZXVHSWMTJRILSK-SJLPKXTDSA-N 2 0 350.576 3.025 20 0 FGADRP CCc1nc(CN2CCC(C[NH2+][C@@H]3CCCCC[C@H]3[NH3+])CC2)cs1 ZINC000422913538 500316349 /nfs/dbraw/zinc/31/63/49/500316349.db2.gz QDSATHUTDKCLHU-QZTJIDSGSA-N 2 0 350.576 3.167 20 0 FGADRP CCOC(=O)C1([C@H](C)[NH2+]C2(c3ccc(Cl)cc3)CC2)CC[NH2+]CC1 ZINC000422934526 500319146 /nfs/dbraw/zinc/31/91/46/500319146.db2.gz JRYDOQVDFVALLF-AWEZNQCLSA-N 2 0 350.890 3.240 20 0 FGADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]C[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000422943487 500321353 /nfs/dbraw/zinc/32/13/53/500321353.db2.gz LRQBWOBEULDYNP-RKVPGOIHSA-N 2 0 366.347 3.253 20 0 FGADRP CCOC(=O)C1([C@H](C)[NH2+]CCc2ccc3ccccc3c2)CC[NH2+]CC1 ZINC000422947712 500322124 /nfs/dbraw/zinc/32/21/24/500322124.db2.gz RAHUUTLCWWAJDX-KRWDZBQOSA-N 2 0 354.494 3.293 20 0 FGADRP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]C1CCN(C(=O)NC2CCCCC2)CC1 ZINC000422952592 500322619 /nfs/dbraw/zinc/32/26/19/500322619.db2.gz BKYQSVJXOFDSLM-UTKZUKDTSA-N 2 0 372.557 3.041 20 0 FGADRP [NH3+]CC1CCC([NH2+][C@H](Cc2ccccc2)C(=O)NCc2ccccc2)CC1 ZINC000422950423 500322679 /nfs/dbraw/zinc/32/26/79/500322679.db2.gz YCTYAGSIVGTHPU-KITAHSCOSA-N 2 0 365.521 3.021 20 0 FGADRP C[C@@H](CC(=O)Nc1ccc(OCC[N@@H+]2CC[C@@H](C)C2)cc1)C1CC[NH2+]CC1 ZINC000431014523 500323357 /nfs/dbraw/zinc/32/33/57/500323357.db2.gz KAZQZVHGNYBZCP-MSOLQXFVSA-N 2 0 373.541 3.372 20 0 FGADRP CC[NH+]1CCN(c2ccc(NC(=O)[C@H]3CCCCCC[C@H]3[NH3+])c(C)c2)CC1 ZINC000431017509 500324359 /nfs/dbraw/zinc/32/43/59/500324359.db2.gz QNSXLQCUOSDXHN-VQTJNVASSA-N 2 0 372.557 3.373 20 0 FGADRP C[C@H]1C[NH+](CCC2CC[NH+](CCOc3cccc(F)c3)CC2)C[C@H](C)O1 ZINC000426821332 500324975 /nfs/dbraw/zinc/32/49/75/500324975.db2.gz RUJDYCFWYIQLJB-ROUUACIJSA-N 2 0 364.505 3.416 20 0 FGADRP Brc1cc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)cc2c1OCO2 ZINC000422967733 500324964 /nfs/dbraw/zinc/32/49/64/500324964.db2.gz CJKPGKCMAJOILG-AEGPPILISA-N 2 0 367.287 3.188 20 0 FGADRP Fc1cccc2c1OCC[C@H]2[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422968686 500325483 /nfs/dbraw/zinc/32/54/83/500325483.db2.gz RWDQRKUQMYXCJH-DBXWQHBBSA-N 2 0 354.425 3.495 20 0 FGADRP COc1ccc([C@H](C[NH2+][C@H](C)C[C@H]2CCCCC[NH2+]2)N(C)C)cc1OC ZINC000422985485 500327265 /nfs/dbraw/zinc/32/72/65/500327265.db2.gz FAQYCUQZTIEJOE-QRQLOZEOSA-N 2 0 363.546 3.207 20 0 FGADRP OC[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)Cc1ccc(C(F)(F)F)cc1 ZINC000422994736 500328510 /nfs/dbraw/zinc/32/85/10/500328510.db2.gz VZPGVRHGNUOOOU-WZGPROSRSA-N 2 0 370.459 3.367 20 0 FGADRP [NH3+]C[C@@H](C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1)c1ccccc1 ZINC000431057773 500329656 /nfs/dbraw/zinc/32/96/56/500329656.db2.gz JPSBIARZGUVBJL-OAQYLSRUSA-N 2 0 351.494 3.396 20 0 FGADRP C[C@@H]1C[NH+](CCOc2ccc(CC[NH2+]C3CCC(C[NH3+])CC3)cc2)C[C@H]1C ZINC000423012276 500330850 /nfs/dbraw/zinc/33/08/50/500330850.db2.gz CRSQRVBLGXNPAB-RVEPMOMFSA-N 3 0 373.585 3.303 20 0 FGADRP COc1ccc(Oc2ccc(CC[NH2+][C@@H]3CCOC[C@@H]3[C@@H](C)[NH3+])cc2)cc1 ZINC000423015089 500331179 /nfs/dbraw/zinc/33/11/79/500331179.db2.gz QKCFILFBAOJGQJ-NPFVIJTESA-N 2 0 370.493 3.372 20 0 FGADRP C[C@H]1C[N@H+](CCOc2ccc(CC[NH2+]C3CCC(C[NH3+])CC3)cc2)C[C@H]1C ZINC000423012275 500331192 /nfs/dbraw/zinc/33/11/92/500331192.db2.gz CRSQRVBLGXNPAB-IVCWUUCSSA-N 3 0 373.585 3.303 20 0 FGADRP C[C@H]1C[N@H+](CCOc2ccc(CC[NH2+][C@@H]3CC[NH2+]CC[C@@H]3C)cc2)C[C@H]1C ZINC000423019165 500331773 /nfs/dbraw/zinc/33/17/73/500331773.db2.gz UHLKEWFKEZGZGY-XFGYDDDFSA-N 3 0 373.585 3.173 20 0 FGADRP O=C1C[C@H]([NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)CN1c1ccc(Cl)c(F)c1 ZINC000423024778 500332429 /nfs/dbraw/zinc/33/24/29/500332429.db2.gz MOTRWJOJCPEBJH-CSBKYJRVSA-N 2 0 365.880 3.095 20 0 FGADRP Cc1cc(Br)cn2cc(C[NH2+][C@H]3CCCC[C@H]3C[NH3+])nc12 ZINC000423035173 500333343 /nfs/dbraw/zinc/33/33/43/500333343.db2.gz JDBMLNWRVHJXHT-WFASDCNBSA-N 2 0 351.292 3.012 20 0 FGADRP FC(F)(F)COc1ccc(CC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)cn1 ZINC000423046880 500334943 /nfs/dbraw/zinc/33/49/43/500334943.db2.gz FHKDUAYEYZQJSV-IXDOHACOSA-N 2 0 371.447 3.466 20 0 FGADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@]1(Cc2ccc(F)cc2)CCC[C@@H]1O ZINC000423071583 500338541 /nfs/dbraw/zinc/33/85/41/500338541.db2.gz FQBSSZWCBWMPMZ-UZQPLGKSSA-N 2 0 371.500 3.412 20 0 FGADRP Brc1cnn(CCCC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)c1 ZINC000423084735 500339764 /nfs/dbraw/zinc/33/97/64/500339764.db2.gz IRBSVBCUMFMHQH-BRWVUGGUSA-N 2 0 369.351 3.326 20 0 FGADRP [NH3+]CC1CCC([NH2+][C@@H]2CCN(c3cccc(Br)c3)C2)CC1 ZINC000423091919 500341309 /nfs/dbraw/zinc/34/13/09/500341309.db2.gz ZPKBDHVSDACYIC-AVVWSFFYSA-N 2 0 352.320 3.135 20 0 FGADRP FC1(c2cccc(Cl)c2)CC([NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)C1 ZINC000423096419 500341678 /nfs/dbraw/zinc/34/16/78/500341678.db2.gz OUPXDQXFZCQLSV-MCCVISLTSA-N 2 0 352.881 3.414 20 0 FGADRP FC1(c2cccc(Cl)c2)CC([NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000423096416 500341854 /nfs/dbraw/zinc/34/18/54/500341854.db2.gz OUPXDQXFZCQLSV-FRPQEJHRSA-N 2 0 352.881 3.414 20 0 FGADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@@H]1CCCN(C(=O)Cc2ccccc2)C1 ZINC000423108211 500342961 /nfs/dbraw/zinc/34/29/61/500342961.db2.gz FSIWKNDEEGDSQU-HLAWJBBLSA-N 2 0 357.542 3.121 20 0 FGADRP COCCC[C@H](C[NH2+][C@@H]1CCOC[C@H]1[C@H](C)[NH3+])c1ccc(Cl)cc1 ZINC000423111094 500343686 /nfs/dbraw/zinc/34/36/86/500343686.db2.gz VSWJIQPJBCGFLT-QNDJGXFYSA-N 2 0 354.922 3.192 20 0 FGADRP Cc1ccc(C[C@H](CO)C[NH2+][C@@H]2CCCCC[C@H]2[NH3+])cc1Br ZINC000423151440 500348364 /nfs/dbraw/zinc/34/83/64/500348364.db2.gz DFABDDIFTGEGAI-CGTJXYLNSA-N 2 0 369.347 3.158 20 0 FGADRP CCOC(=O)C1([C@H](C)[NH2+][C@H]2CCCC[C@H]2CC(F)(F)F)CC[NH2+]CC1 ZINC000423150145 500348404 /nfs/dbraw/zinc/34/84/04/500348404.db2.gz BALOMXISUFDZBA-KKUMJFAQSA-N 2 0 364.452 3.409 20 0 FGADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]C1CCN(Cc2cccc(Br)c2)CC1 ZINC000423173870 500351278 /nfs/dbraw/zinc/35/12/78/500351278.db2.gz AKGBOERMPIMKHV-QAPCUYQASA-N 2 0 366.347 3.131 20 0 FGADRP C[C@@H](NCCC[NH2+]Cc1cccnc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423192421 500353489 /nfs/dbraw/zinc/35/34/89/500353489.db2.gz VGWQZPNBDNULGP-DENIHFKCSA-N 2 0 352.526 3.062 20 0 FGADRP C[C@H](NCCC[NH2+]Cc1cccnc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423192426 500354024 /nfs/dbraw/zinc/35/40/24/500354024.db2.gz VGWQZPNBDNULGP-UGKGYDQZSA-N 2 0 352.526 3.062 20 0 FGADRP CC(C)c1ccc([C@@H]([NH3+])CNC2CC[NH+](Cc3ccccn3)CC2)cc1 ZINC000423248689 500358586 /nfs/dbraw/zinc/35/85/86/500358586.db2.gz RYNGMIZLJFFKHG-QFIPXVFZSA-N 2 0 352.526 3.459 20 0 FGADRP Cc1ccccc1[C@H](CN1CCOCC1)[NH2+]Cc1ccc([C@@H](C)[NH3+])cc1 ZINC000423290050 500361974 /nfs/dbraw/zinc/36/19/74/500361974.db2.gz CCRFCIFLGUPOBG-GCJKJVERSA-N 2 0 353.510 3.178 20 0 FGADRP C[C@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[NH2+]C[C@H]([NH3+])C1CC1 ZINC000423323884 500364009 /nfs/dbraw/zinc/36/40/09/500364009.db2.gz PCDSFUYLBCICGV-RNCFNFMXSA-N 2 0 363.811 3.403 20 0 FGADRP C[C@@H]([NH2+]CC1=CC[NH2+]CC1)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000423346667 500366228 /nfs/dbraw/zinc/36/62/28/500366228.db2.gz PIQVYKSRYUBGLA-QGZVFWFLSA-N 2 0 362.477 3.484 20 0 FGADRP CC(C)(C(=O)NC1CC[NH+](CC2CCCC2)CC1)[C@H]([NH3+])c1ccccc1 ZINC000423357069 500366576 /nfs/dbraw/zinc/36/65/76/500366576.db2.gz LESNIJJSAPQBRM-HXUWFJFHSA-N 2 0 357.542 3.483 20 0 FGADRP COCC1(C[NH2+][C@H](c2cccnc2)c2ccc(F)c(C)c2)CC[NH2+]CC1 ZINC000423398964 500370609 /nfs/dbraw/zinc/37/06/09/500370609.db2.gz DQCDHAZKKRYAKS-FQEVSTJZSA-N 2 0 357.473 3.224 20 0 FGADRP COCC1(C[NH2+][C@H]2CCCOc3c(Cl)cc(C)cc32)CC[NH2+]CC1 ZINC000423403000 500371143 /nfs/dbraw/zinc/37/11/43/500371143.db2.gz HLNMYFYLEDAJEJ-KRWDZBQOSA-N 2 0 352.906 3.468 20 0 FGADRP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH2+][C@@H]4C[C@H]4C4CC[NH2+]CC4)[C@H]3C2)cc1 ZINC000423421784 500373581 /nfs/dbraw/zinc/37/35/81/500373581.db2.gz BAUAEZGUJKIVAE-IACLWVNRSA-N 3 0 353.554 3.265 20 0 FGADRP CC[C@@H]([NH2+][C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)c1cccc(Cl)c1F ZINC000423455329 500376123 /nfs/dbraw/zinc/37/61/23/500376123.db2.gz MLSGJLIULXUWQL-MDZRGWNJSA-N 2 0 367.896 3.167 20 0 FGADRP C[C@H]([NH2+]C[C@@H]1CCC[C@H]([NH3+])C1)c1ccc(I)cc1 ZINC000423462442 500376500 /nfs/dbraw/zinc/37/65/00/500376500.db2.gz PGLGXQHYGHYISP-ZOWXZIJZSA-N 2 0 358.267 3.459 20 0 FGADRP C[C@H]([NH2+]C[C@@H]1CCC[C@@H]([NH3+])C1)c1ccc(I)cc1 ZINC000423462441 500376818 /nfs/dbraw/zinc/37/68/18/500376818.db2.gz PGLGXQHYGHYISP-YWPYICTPSA-N 2 0 358.267 3.459 20 0 FGADRP CC(C)(C)[C@@H](C[N@@H+]1CCc2ccccc2C1)NC(=O)C[C@@H]1CCC[NH2+]CC1 ZINC000427280838 500377577 /nfs/dbraw/zinc/37/75/77/500377577.db2.gz MDTMRODQUVUFOT-WIYYLYMNSA-N 2 0 371.569 3.355 20 0 FGADRP CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)C[C@@H]1CCC[NH2+]CC1 ZINC000427290500 500378412 /nfs/dbraw/zinc/37/84/12/500378412.db2.gz VRFGYFWGIDKWDZ-QGZVFWFLSA-N 2 0 371.529 3.096 20 0 FGADRP CC(=O)NCCc1ccc([C@H](C)[NH2+][C@H](CCC[NH3+])c2ccccc2)cc1 ZINC000423512494 500380858 /nfs/dbraw/zinc/38/08/58/500380858.db2.gz USSQNQALQMQGJX-HTAPYJJXSA-N 2 0 353.510 3.496 20 0 FGADRP Cc1cc(C)c2c(c1)[C@@H]([NH2+]C1CCC([NH+]3CCNCC3)CC1)CCCO2 ZINC000423519758 500381860 /nfs/dbraw/zinc/38/18/60/500381860.db2.gz QLVDQDVLRZDSTA-GRERDSQWSA-N 2 0 357.542 3.323 20 0 FGADRP CC1(C)[C@H]([NH2+]C2CCC([NH+]3CCNCC3)CC2)C[C@@H]1OCc1ccccc1 ZINC000423521783 500381945 /nfs/dbraw/zinc/38/19/45/500381945.db2.gz TVFMLTOLUPJDQE-XABBQPORSA-N 2 0 371.569 3.176 20 0 FGADRP c1ccc(C[N@@H+]2CC[C@H]([NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@@H]4C3)[C@@H]3CCC[C@@H]32)cc1 ZINC000423549983 500384430 /nfs/dbraw/zinc/38/44/30/500384430.db2.gz NNLHJZWNWGGFIB-PCEJQYDGSA-N 3 0 353.554 3.407 20 0 FGADRP COc1ccc([C@H](C)[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)c(Br)c1 ZINC000423547968 500384498 /nfs/dbraw/zinc/38/44/98/500384498.db2.gz QRHZRZWKYCOPTA-REWJHTLYSA-N 2 0 353.304 3.496 20 0 FGADRP Cc1nc2c(s1)[C@@H]([NH2+]CC1(N)CC[NH+](Cc3ccccc3)CC1)CCC2 ZINC000423562019 500384923 /nfs/dbraw/zinc/38/49/23/500384923.db2.gz KHZNPRJMXBIUHY-SFHVURJKSA-N 2 0 370.566 3.412 20 0 FGADRP C[N@@H+]1CC[C@H](NC(=O)Nc2ccc3c(c2F)CC[NH2+]C3)[C@@H]1c1ccccc1 ZINC000570546044 506192437 /nfs/dbraw/zinc/19/24/37/506192437.db2.gz VILJNXOFARXORG-ICSRJNTNSA-N 2 0 368.456 3.038 20 0 FGADRP CC[NH+](CC)[C@H](C(=O)N1CC[C@H]([NH3+])[C@@H]1C)c1cccc(C(F)(F)F)c1 ZINC000423646321 500391935 /nfs/dbraw/zinc/39/19/35/500391935.db2.gz LTGLNJROWHEQEE-RCBQFDQVSA-N 2 0 357.420 3.036 20 0 FGADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)[C@H](C)[C@H]([NH3+])c1ccccc1 ZINC000423738191 500398162 /nfs/dbraw/zinc/39/81/62/500398162.db2.gz FURQESHPBUUWDT-UTKZUKDTSA-N 2 0 353.510 3.433 20 0 FGADRP [NH3+][C@H]1CCCC[C@H]1CC(=O)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000423742599 500398339 /nfs/dbraw/zinc/39/83/39/500398339.db2.gz JCEYSQQUKRKNPB-SFTDATJTSA-N 2 0 357.542 3.061 20 0 FGADRP C[NH+](C)[C@@H](CC(=O)N1CCC[N@H+](Cc2ccccc2)CC1)c1ccccc1 ZINC000431621261 500399523 /nfs/dbraw/zinc/39/95/23/500399523.db2.gz LPUPFFBWOMWAFP-QFIPXVFZSA-N 2 0 365.521 3.414 20 0 FGADRP C[C@H](C(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)cc1)[C@H]([NH3+])c1ccccc1 ZINC000423777842 500400888 /nfs/dbraw/zinc/40/08/88/500400888.db2.gz SJKBNBYPWCOZAT-KYNGSXCRSA-N 2 0 359.901 3.395 20 0 FGADRP C[C@@H]([NH3+])c1ccc(C(=O)N2CCC[N@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000423775575 500400972 /nfs/dbraw/zinc/40/09/72/500400972.db2.gz MJUPIAKBWXHONP-QZTJIDSGSA-N 2 0 351.494 3.443 20 0 FGADRP CN(C(=O)CCC[NH+]1CCC([NH3+])CC1)C1c2ccccc2-c2ccccc21 ZINC000423790799 500401836 /nfs/dbraw/zinc/40/18/36/500401836.db2.gz YAURPAQZDDJMOE-UHFFFAOYSA-N 2 0 363.505 3.418 20 0 FGADRP CC[NH+](CC)C[C@H]1CCCC[C@@H]1NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000431668732 500406276 /nfs/dbraw/zinc/40/62/76/500406276.db2.gz AWQMKUGNKOARGE-NWJVMNJYSA-N 2 0 364.578 3.202 20 0 FGADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000431668729 500406335 /nfs/dbraw/zinc/40/63/35/500406335.db2.gz AWQMKUGNKOARGE-BGVWBIDGSA-N 2 0 364.578 3.202 20 0 FGADRP C[C@H]1CC[NH2+]C[C@H]1NC(=O)c1cccc(C[N@H+](C)Cc2ccccc2)c1 ZINC000427598039 500410053 /nfs/dbraw/zinc/41/00/53/500410053.db2.gz AUMSTUHIVSQCAA-LAUBAEHRSA-N 2 0 351.494 3.046 20 0 FGADRP C[C@H]([NH3+])c1ccc(C(=O)NC2CC[NH+]([C@@H](C)c3ccncc3)CC2)cc1 ZINC000423855235 500412435 /nfs/dbraw/zinc/41/24/35/500412435.db2.gz VNBZODCLEHIRLY-HOTGVXAUSA-N 2 0 352.482 3.057 20 0 FGADRP C[C@@H]([NH3+])c1ccc(C(=O)NC2CC[NH+]([C@H](C)c3ccncc3)CC2)cc1 ZINC000423855236 500412528 /nfs/dbraw/zinc/41/25/28/500412528.db2.gz VNBZODCLEHIRLY-HZPDHXFCSA-N 2 0 352.482 3.057 20 0 FGADRP CCc1ccccc1[C@H]([NH3+])CNC(=O)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000423939065 500421270 /nfs/dbraw/zinc/42/12/70/500421270.db2.gz LKMNHKGBKIRWNO-NHCUHLMSSA-N 2 0 351.494 3.030 20 0 FGADRP C[NH+](C)Cc1cc(CNC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)ccc1F ZINC000431767941 500421755 /nfs/dbraw/zinc/42/17/55/500421755.db2.gz HYLQZYQVBCKFSU-HXUWFJFHSA-N 2 0 361.505 3.301 20 0 FGADRP CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000431773609 500423041 /nfs/dbraw/zinc/42/30/41/500423041.db2.gz WHAQVONWRJFJHU-AZUAARDMSA-N 2 0 364.578 3.061 20 0 FGADRP COc1ccc([C@@H](C[NH3+])C[N@H+](Cc2ccccc2)[C@@H](CO)C(C)C)cc1 ZINC000420297913 500437041 /nfs/dbraw/zinc/43/70/41/500437041.db2.gz GNZGOYJDCKGPST-UNMCSNQZSA-N 2 0 356.510 3.257 20 0 FGADRP COc1ccc([C@@H](C[NH3+])C[N@H+](C)Cc2cc(OC)c(OC)cc2C)cc1 ZINC000420301794 500437557 /nfs/dbraw/zinc/43/75/57/500437557.db2.gz JEWYWUZMOHXZJQ-SFHVURJKSA-N 2 0 358.482 3.195 20 0 FGADRP CC[NH+](CC)[C@H](C(=O)N(C)CCC[NH2+]C)c1cccc(C(F)(F)F)c1 ZINC000424019459 500437799 /nfs/dbraw/zinc/43/77/99/500437799.db2.gz LRIZMHJJVUOHHP-INIZCTEOSA-N 2 0 359.436 3.156 20 0 FGADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)NC1CC[NH+](CC(C)C)CC1 ZINC000431877207 500437914 /nfs/dbraw/zinc/43/79/14/500437914.db2.gz ZNQMEVLWRBFCKS-ICSRJNTNSA-N 2 0 366.594 3.307 20 0 FGADRP Cc1cccc(C(=O)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)c1Cl ZINC000424021862 500438300 /nfs/dbraw/zinc/43/83/00/500438300.db2.gz RRKDPMAQBDBLMS-UHFFFAOYSA-N 2 0 371.912 3.372 20 0 FGADRP Ic1ccc([C@@H]2CCC[N@@H+]2CC[C@H]2CC[NH2+]C2)cc1 ZINC000420312405 500439045 /nfs/dbraw/zinc/43/90/45/500439045.db2.gz WXWXNHIHEHGRAH-CJNGLKHVSA-N 2 0 370.278 3.428 20 0 FGADRP CCOC(=O)c1oc2ccccc2c1C[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420324153 500441492 /nfs/dbraw/zinc/44/14/92/500441492.db2.gz GTRKEDXINFFDQM-JKSUJKDBSA-N 2 0 356.466 3.431 20 0 FGADRP C[C@H](c1ccccc1Br)[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000420322529 500441763 /nfs/dbraw/zinc/44/17/63/500441763.db2.gz AIIPFDLEKFIBTO-JLZZUVOBSA-N 2 0 353.304 3.338 20 0 FGADRP CCOC(=O)c1oc2ccccc2c1C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420323698 500441963 /nfs/dbraw/zinc/44/19/63/500441963.db2.gz GTRKEDXINFFDQM-HOTGVXAUSA-N 2 0 356.466 3.431 20 0 FGADRP Brc1ccc(OCC[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000420330700 500442416 /nfs/dbraw/zinc/44/24/16/500442416.db2.gz BFNSSTIAHRCJBB-CABCVRRESA-N 2 0 353.304 3.149 20 0 FGADRP Brc1ccc([C@@H]2C[N@H+](CC[C@H]3CCC[NH2+]C3)CCO2)cc1 ZINC000420328482 500442707 /nfs/dbraw/zinc/44/27/07/500442707.db2.gz ZOMPNQJZNVYGQG-PBHICJAKSA-N 2 0 353.304 3.212 20 0 FGADRP Cc1ccc([C@H](NC(=O)C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)C2CC2)cc1 ZINC000420336519 500443774 /nfs/dbraw/zinc/44/37/74/500443774.db2.gz ISMKWPLRWZLGKS-UNMCSNQZSA-N 2 0 355.526 3.026 20 0 FGADRP CC[C@@H]1c2ccsc2CCN1C(=O)C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000420344669 500445522 /nfs/dbraw/zinc/44/55/22/500445522.db2.gz UORREGAJLKXWDP-QZTJIDSGSA-N 2 0 361.555 3.048 20 0 FGADRP C[C@H](C(=O)Nc1ccccc1C(F)(F)F)[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000420343897 500445772 /nfs/dbraw/zinc/44/57/72/500445772.db2.gz RQOQQGMRDDXGCT-CJNGLKHVSA-N 2 0 369.431 3.496 20 0 FGADRP COc1ccc([C@@H](C[NH3+])C[N@@H+]2CCc3ccc(C(C)=O)cc3CC2)cc1 ZINC000420369394 500449461 /nfs/dbraw/zinc/44/94/61/500449461.db2.gz IVLUZHQZRYNWTD-NRFANRHFSA-N 2 0 352.478 3.041 20 0 FGADRP Cc1ccc(-c2cnc(C[NH+]3CCC([C@@H]4OCCC[C@@H]4[NH3+])CC3)o2)cc1 ZINC000420389716 500453512 /nfs/dbraw/zinc/45/35/12/500453512.db2.gz YMUIZBVCFFLQII-RXVVDRJESA-N 2 0 355.482 3.368 20 0 FGADRP C[C@@H](c1ccc(OC(F)(F)F)cc1)[N@@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000420388703 500453769 /nfs/dbraw/zinc/45/37/69/500453769.db2.gz XIGGMZZGPWHWLG-SWLSCSKDSA-N 2 0 369.391 3.034 20 0 FGADRP Cc1c(Br)cccc1C[NH+]1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000420390501 500454131 /nfs/dbraw/zinc/45/41/31/500454131.db2.gz NRQMOIFLTKRXFI-FUHWJXTLSA-N 2 0 367.331 3.476 20 0 FGADRP Cc1oc(-c2ccsc2)nc1C[NH+]1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000420394571 500454837 /nfs/dbraw/zinc/45/48/37/500454837.db2.gz RXPYWNHXSVKYOL-AEFFLSMTSA-N 2 0 361.511 3.430 20 0 FGADRP C[C@H]1CC2(C[N@@H+]1CCOc1ccc(OC(F)(F)F)cc1)CC[NH2+]CC2 ZINC000424287019 500481731 /nfs/dbraw/zinc/48/17/31/500481731.db2.gz ICXKPZIITYBRAX-AWEZNQCLSA-N 2 0 358.404 3.428 20 0 FGADRP C[C@H]1CC2(C[N@@H+]1CC(=O)N[C@@H](c1ccccc1)C1CCCC1)CC[NH2+]CC2 ZINC000424289542 500481890 /nfs/dbraw/zinc/48/18/90/500481890.db2.gz LXGSQOWSGDBSOH-AVRDEDQJSA-N 2 0 369.553 3.498 20 0 FGADRP C[C@H]1CC2(C[N@@H+]1Cc1ccc(I)cc1)CC[NH2+]CC2 ZINC000424294454 500482645 /nfs/dbraw/zinc/48/26/45/500482645.db2.gz QLNTVPBKUUAWDP-ZDUSSCGKSA-N 2 0 370.278 3.255 20 0 FGADRP C[C@@H]1CC2(C[N@@H+]1Cc1cc(Cl)c3c(c1)OCCCO3)CC[NH2+]CC2 ZINC000424298993 500483528 /nfs/dbraw/zinc/48/35/28/500483528.db2.gz VFRBTFJCMVHQNJ-CQSZACIVSA-N 2 0 350.890 3.465 20 0 FGADRP C[C@H]1CC2(C[N@@H+]1Cc1cc3c(cc1Br)OCO3)CC[NH2+]CC2 ZINC000424297529 500483578 /nfs/dbraw/zinc/48/35/78/500483578.db2.gz SVDSHQSXIMVQCM-LBPRGKRZSA-N 2 0 367.287 3.142 20 0 FGADRP CCN(C[C@H]1CC[N@H+](C[C@H](C[NH3+])c2ccc(F)cc2)C1)CC(F)(F)F ZINC000424305499 500483710 /nfs/dbraw/zinc/48/37/10/500483710.db2.gz SLRJLQNFANSHIT-ZBFHGGJFSA-N 2 0 361.427 3.074 20 0 FGADRP O[C@H](C[NH2+][C@@H]1CCCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)COCC1CC1 ZINC000428244192 500485949 /nfs/dbraw/zinc/48/59/49/500485949.db2.gz XWZMXPFEQAJYSW-BXXSPATCSA-N 2 0 372.553 3.054 20 0 FGADRP CC(C)[C@@H](C[NH2+]Cc1csc(Cl)c1Cl)N1CC[NH+](C)CC1 ZINC000432229468 500486907 /nfs/dbraw/zinc/48/69/07/500486907.db2.gz QWKDWZKOWJPKIQ-CYBMUJFWSA-N 2 0 350.359 3.417 20 0 FGADRP C[N@H+](CCN1CCc2ccccc21)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000428303968 500493737 /nfs/dbraw/zinc/49/37/37/500493737.db2.gz RYHDQSVLMJAUHG-UHFFFAOYSA-N 2 0 350.510 3.293 20 0 FGADRP CC(C)O[C@H](C[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1)c1ccccc1 ZINC000428308967 500493989 /nfs/dbraw/zinc/49/39/89/500493989.db2.gz KLBASCUVKRAVPX-HNTVYWHESA-N 2 0 371.569 3.396 20 0 FGADRP COc1sc(C[N@@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)cc1Br ZINC000424388059 500495473 /nfs/dbraw/zinc/49/54/73/500495473.db2.gz ZBWVJFJONRLOJQ-NSHDSACASA-N 2 0 359.333 3.483 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)NC1CCC([NH+](C)C)CC1)c1ccsc1 ZINC000420796336 500503368 /nfs/dbraw/zinc/50/33/68/500503368.db2.gz LPDSIZJWSBYHGV-DAWZGUTISA-N 2 0 366.575 3.303 20 0 FGADRP Cc1cc(C[NH3+])cc(NC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)c1 ZINC000424433772 500504525 /nfs/dbraw/zinc/50/45/25/500504525.db2.gz FCXDRPBFMSFZAZ-UHFFFAOYSA-N 2 0 352.482 3.371 20 0 FGADRP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)c1cccc(C[N@H+](C)Cc2ccccc2)c1 ZINC000432521629 500526866 /nfs/dbraw/zinc/52/68/66/500526866.db2.gz ZDAOWBWKWZNQHK-DYESRHJHSA-N 2 0 351.494 3.046 20 0 FGADRP CC[NH2+]Cc1cccc(NC(=O)c2ccc3c(ccn3CCC[NH3+])c2)c1 ZINC000428557799 500527123 /nfs/dbraw/zinc/52/71/23/500527123.db2.gz DRKHJWKUWFWFMG-UHFFFAOYSA-N 2 0 350.466 3.352 20 0 FGADRP CC[NH+]1CCC(N2CCC[N@H+](Cc3ccc(F)c4cccnc34)CC2)CC1 ZINC000420976505 500545320 /nfs/dbraw/zinc/54/53/20/500545320.db2.gz HCPYIJXRCCPWLU-UHFFFAOYSA-N 2 0 370.516 3.366 20 0 FGADRP COC1(C[NH2+]Cc2ccccc2C[NH+]2C[C@H](C)C[C@@H](C)C2)CCOCC1 ZINC000428858937 500566899 /nfs/dbraw/zinc/56/68/99/500566899.db2.gz GRQJGSWAUROEMV-RTBURBONSA-N 2 0 360.542 3.450 20 0 FGADRP CCC(CC)[C@@H](CNC(=O)NC1CCC(C[NH+](C)C)CC1)[NH+]1CCCC1 ZINC000442236979 500573748 /nfs/dbraw/zinc/57/37/48/500573748.db2.gz VZUIFGXMYLKMGD-LYBXBRPPSA-N 2 0 366.594 3.307 20 0 FGADRP C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)[C@H]([NH3+])Cc2ccccc2)CC1 ZINC000573494535 506204026 /nfs/dbraw/zinc/20/40/26/506204026.db2.gz PCYHMWSJPHVQIQ-GHTZIAJQSA-N 2 0 357.542 3.060 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC2(CO)CC(c3ccccc3)C2)[C@@H](C)C1 ZINC000433085257 500622549 /nfs/dbraw/zinc/62/25/49/500622549.db2.gz UDXSEEUTEPPFMZ-XXDDBKGRSA-N 2 0 374.569 3.269 20 0 FGADRP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+][C@H]2CCOC4(CCOCC4)C2)C3)cc1 ZINC000447589074 500629540 /nfs/dbraw/zinc/62/95/40/500629540.db2.gz WWEWCFQJZGAWSL-MYGLTJDJSA-N 2 0 370.537 3.500 20 0 FGADRP C[C@@H]1CSc2ccc(Br)cc2[C@H]1[NH2+]CCOCC[NH+](C)C ZINC000447597713 500631754 /nfs/dbraw/zinc/63/17/54/500631754.db2.gz GKJFYCGSCYXQIU-WBMJQRKESA-N 2 0 373.360 3.400 20 0 FGADRP CCOc1cccc2cc([C@@H](C)NC(=O)CCC[NH+]3CCC([NH3+])CC3)oc21 ZINC000433156684 500635833 /nfs/dbraw/zinc/63/58/33/500635833.db2.gz KCCUIVHBMJUADL-OAHLLOKOSA-N 2 0 373.497 3.212 20 0 FGADRP CC[C@@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)c1ccc(OC(F)F)cc1 ZINC000442862200 500636430 /nfs/dbraw/zinc/63/64/30/500636430.db2.gz FINDOGVWLQSECY-QGZVFWFLSA-N 2 0 355.473 3.355 20 0 FGADRP C[N@@H+]1CCN(CC[NH2+][C@H]2CCCOc3cc4c(cc32)CCC4)CC1(C)C ZINC000442878796 500638765 /nfs/dbraw/zinc/63/87/65/500638765.db2.gz UTUQGCYGYMTLQF-FQEVSTJZSA-N 2 0 357.542 3.005 20 0 FGADRP [NH3+]CC[C@@H]1CCC[N@H+](Cc2cn(-c3ccc(Cl)cc3Cl)nn2)C1 ZINC000442916714 500646279 /nfs/dbraw/zinc/64/62/79/500646279.db2.gz AEBLONKUBIMFKQ-LBPRGKRZSA-N 2 0 354.285 3.135 20 0 FGADRP [NH3+]CC[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2OC[C@H]2CCCO2)C1 ZINC000442933047 500649037 /nfs/dbraw/zinc/64/90/37/500649037.db2.gz ZLVIAUATZOFEIH-CRAIPNDOSA-N 2 0 352.906 3.459 20 0 FGADRP [NH3+]CC[C@H]1CCC[N@H+](CC(=O)NCC2(c3ccccc3)CCCCC2)C1 ZINC000443068408 500673024 /nfs/dbraw/zinc/67/30/24/500673024.db2.gz HZSPCHFRDNIGIG-LJQANCHMSA-N 2 0 357.542 3.066 20 0 FGADRP C[C@@H]1C[N@@H+](CC2CC[NH+](Cc3c[nH]nc3-c3ccsc3)CC2)C[C@H](C)O1 ZINC000437688653 500681807 /nfs/dbraw/zinc/68/18/07/500681807.db2.gz BGLZJSDICHGIFW-IYBDPMFKSA-N 2 0 374.554 3.459 20 0 FGADRP CC[NH+](CC)Cc1cccc(CNC(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)c1 ZINC000433555519 500711099 /nfs/dbraw/zinc/71/10/99/500711099.db2.gz UUQVFYLYLQNWLX-OAQYLSRUSA-N 2 0 372.557 3.345 20 0 FGADRP C[C@@H]1CC[N@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C[C@@H](C)C1 ZINC000443636330 500747726 /nfs/dbraw/zinc/74/77/26/500747726.db2.gz AYQCVKKONGTELB-MOPGFXCFSA-N 2 0 357.542 3.267 20 0 FGADRP C[C@H](CC(=O)NCC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)C1CC[NH2+]CC1 ZINC000570716194 506215041 /nfs/dbraw/zinc/21/50/41/506215041.db2.gz BYMBNKVNYRBKNF-SFHLNBCPSA-N 2 0 371.569 3.429 20 0 FGADRP OCC[NH+]1CCC(C[NH2+]Cc2ccc(Oc3cccc(F)c3)cc2)CC1 ZINC000443975534 500786234 /nfs/dbraw/zinc/78/62/34/500786234.db2.gz AZYZXLBGPIJRRG-UHFFFAOYSA-N 2 0 358.457 3.412 20 0 FGADRP O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000438571825 500803104 /nfs/dbraw/zinc/80/31/04/500803104.db2.gz BFKPROQUCDEGNR-RTWAWAEBSA-N 2 0 355.526 3.347 20 0 FGADRP CC(C)[N@@H+]1CCC[C@@H](NC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000444311966 500833194 /nfs/dbraw/zinc/83/31/94/500833194.db2.gz JTDYBLNYLIDFPY-HXUWFJFHSA-N 2 0 357.542 3.278 20 0 FGADRP Cc1cc(N2CCC([NH2+]C3CC[NH+]([C@@H]4CCCC[C@@H]4C)CC3)CC2)n[nH]1 ZINC000439146781 500863919 /nfs/dbraw/zinc/86/39/19/500863919.db2.gz OEQGYGBDPXGKAK-OXJNMPFZSA-N 2 0 359.562 3.320 20 0 FGADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NCC(C)(C)[NH+]1C[C@H](C)C[C@H](C)C1 ZINC000439228610 500872378 /nfs/dbraw/zinc/87/23/78/500872378.db2.gz HPWDJQLFGLAKKB-HCXYKTFWSA-N 2 0 364.578 3.011 20 0 FGADRP C[C@H]1[NH2+]CCC[C@@H]1NC(=O)c1cccc(C[N@H+](C)Cc2ccccc2)c1 ZINC000434709839 500882142 /nfs/dbraw/zinc/88/21/42/500882142.db2.gz VXTTVBNNSMSLMT-UTKZUKDTSA-N 2 0 351.494 3.189 20 0 FGADRP CC[NH+]1CCN(Cc2ccc(C[NH2+]Cc3cc4cccnc4o3)cc2)CC1 ZINC000449085023 500921163 /nfs/dbraw/zinc/92/11/63/500921163.db2.gz ZTUFYDWFYWOELQ-UHFFFAOYSA-N 2 0 364.493 3.255 20 0 FGADRP C[C@H](C[NH2+]C1CC[NH+](C(C)(C)C)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000449087308 500921889 /nfs/dbraw/zinc/92/18/89/500921889.db2.gz FTKNRMQKYLHJQW-OAHLLOKOSA-N 2 0 352.544 3.046 20 0 FGADRP OCC[NH+]1CCC(C[NH2+][C@H]2CCC[C@H]2Cc2ccc(Cl)cc2)CC1 ZINC000449120209 500929651 /nfs/dbraw/zinc/92/96/51/500929651.db2.gz CGZIGSRQSRBVKI-ICSRJNTNSA-N 2 0 350.934 3.345 20 0 FGADRP C[C@H](C[NH2+]CCCCC[NH+]1CCCCC1)c1ccc(S(C)(=O)=O)cc1 ZINC000449125060 500930609 /nfs/dbraw/zinc/93/06/09/500930609.db2.gz RPJXIQBGGLWVMT-GOSISDBHSA-N 2 0 366.571 3.439 20 0 FGADRP C[C@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)N(C)[C@H]1CCC[NH+](C)C1 ZINC000607686993 506225182 /nfs/dbraw/zinc/22/51/82/506225182.db2.gz PPZPKNTXTLLKAF-OALUTQOASA-N 2 0 373.541 3.106 20 0 FGADRP C[C@H](Cc1ccccc1)[NH+]1CCC(NC[C@@]2([NH+](C)C)CCSC2)CC1 ZINC000449174966 500941144 /nfs/dbraw/zinc/94/11/44/500941144.db2.gz JGNRIQPBJBZKLB-NQIIRXRSSA-N 2 0 361.599 3.109 20 0 FGADRP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+]C[C@@H](C)c2ccc(S(C)(=O)=O)cc2)C1 ZINC000449203607 500946893 /nfs/dbraw/zinc/94/68/93/500946893.db2.gz HMENSNWPWXEHGO-MSOLQXFVSA-N 2 0 366.571 3.151 20 0 FGADRP C[NH2+]CCC1CC[NH+](Cc2ccc(OC)c(OCc3cccnc3)c2)CC1 ZINC000435369519 500960450 /nfs/dbraw/zinc/96/04/50/500960450.db2.gz FSXXNJQCKAKKSF-UHFFFAOYSA-N 2 0 369.509 3.491 20 0 FGADRP O=C(NC[C@@H]1CCC[N@H+](Cc2ccc(-c3ccccc3)o2)C1)[C@H]1CCC[NH2+]1 ZINC000435375362 500962470 /nfs/dbraw/zinc/96/24/70/500962470.db2.gz UPDDRQXGOURUPM-FXAWDEMLSA-N 2 0 367.493 3.027 20 0 FGADRP Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000435380897 500964355 /nfs/dbraw/zinc/96/43/55/500964355.db2.gz UHPLKIYONWCBNE-FFZOFVMBSA-N 2 0 358.917 3.371 20 0 FGADRP C[C@@H]([NH3+])[C@H]1CCC[N@H+](Cc2cn(-c3ccccc3)nc2-c2ccncc2)C1 ZINC000435387049 500966125 /nfs/dbraw/zinc/96/61/25/500966125.db2.gz WPKBWLTWZDYLFZ-MJGOQNOKSA-N 2 0 361.493 3.494 20 0 FGADRP CC[NH+]1CCN(c2ccccc2C[NH+]2CCC3(CCC(O)CC3)CC2)CC1 ZINC000449368104 500988225 /nfs/dbraw/zinc/98/82/25/500988225.db2.gz CWEAKJCYTWSUJQ-UHFFFAOYSA-N 2 0 371.569 3.346 20 0 FGADRP C[C@H]1CCC[C@@H]([NH+]2CCC([NH2+]C3CCC(CS(C)(=O)=O)CC3)CC2)C1 ZINC000449371185 500989074 /nfs/dbraw/zinc/98/90/74/500989074.db2.gz RFHJONUCHPSMJQ-USWSCHJFSA-N 2 0 370.603 3.223 20 0 FGADRP CC[C@@H](NC(=O)CN(CC)[C@@H]1CCC[NH2+]CC1)c1ccc(Cl)cc1 ZINC000435628654 501004813 /nfs/dbraw/zinc/00/48/13/501004813.db2.gz VOZFBAXPCFTJCI-QZTJIDSGSA-N 2 0 351.922 3.371 20 0 FGADRP COc1ccc(CC[N@H+](Cc2nccs2)[C@@H]2CC23CC[NH2+]CC3)cc1 ZINC000435690615 501012850 /nfs/dbraw/zinc/01/28/50/501012850.db2.gz BKUZFGDRLGVYRR-GOSISDBHSA-N 2 0 357.523 3.339 20 0 FGADRP COc1cccc(CCC[N@H+](Cc2nccn2C)[C@H]2CC23CC[NH2+]CC3)c1 ZINC000435696653 501013162 /nfs/dbraw/zinc/01/31/62/501013162.db2.gz UVVWYVWZRYPQIL-FQEVSTJZSA-N 2 0 368.525 3.006 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)NC1CCC(C[NH+](C)C)CC1)CC(C)C ZINC000440857762 501056835 /nfs/dbraw/zinc/05/68/35/501056835.db2.gz GTFLMQZLDVLRDU-ACBHZAAOSA-N 2 0 354.583 3.163 20 0 FGADRP CC(C)[NH+]1CCC(N2CC[NH+](CCO[C@H]3CCCC[C@@H]3C)CC2)CC1 ZINC000441043148 501079296 /nfs/dbraw/zinc/07/92/96/501079296.db2.gz SQVOUINHHZBKHR-FPOVZHCZSA-N 2 0 351.579 3.072 20 0 FGADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@H]2CCO[C@H](c3nccn3C)C2)CC1 ZINC000449781066 501085199 /nfs/dbraw/zinc/08/51/99/501085199.db2.gz ZGSFFTSCYWFIOP-GTAWCEEGSA-N 2 0 360.546 3.273 20 0 FGADRP CC(C)Oc1ccc2[nH+]ccc(N3C[C@@H](C)[C@@H]([NH+]4CCOCC4)C3)c2c1 ZINC000450372314 501102798 /nfs/dbraw/zinc/10/27/98/501102798.db2.gz OAHZZCSBMHSSEJ-IERDGZPVSA-N 2 0 355.482 3.179 20 0 FGADRP COc1cc(Cl)c(C[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)cc1Cl ZINC000441369299 501129133 /nfs/dbraw/zinc/12/91/33/501129133.db2.gz DEVLXZDRQJFWBL-UHFFFAOYSA-N 2 0 360.329 3.118 20 0 FGADRP C[C@H](c1ccccc1)[C@@H](O)C[NH+]1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000450472397 501129619 /nfs/dbraw/zinc/12/96/19/501129619.db2.gz FKVHTBSSIXNHHY-AWWSKVOZSA-N 2 0 374.569 3.362 20 0 FGADRP COC[C@H]([NH2+]CC[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1)C1CCOCC1 ZINC000446921769 501181250 /nfs/dbraw/zinc/18/12/50/501181250.db2.gz UPIPUOKKAZMGHG-DWLFOUALSA-N 2 0 360.542 3.318 20 0 FGADRP FC(F)C(F)(F)COCC[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000446973227 501188969 /nfs/dbraw/zinc/18/89/69/501188969.db2.gz BZXUSMQHHSOETH-GVDBMIGSSA-N 2 0 374.422 3.404 20 0 FGADRP CCc1ccc2[nH+]ccc(N3CC[NH+](Cc4c(C)nn(C)c4C)CC3)c2c1 ZINC000450315390 501231795 /nfs/dbraw/zinc/23/17/95/501231795.db2.gz CYPRIWGMGJWSRS-UHFFFAOYSA-N 2 0 363.509 3.470 20 0 FGADRP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2[C@H](C)[C@@H](CC(F)(F)F)C[C@@H]2C)CC1 ZINC000451148378 501248294 /nfs/dbraw/zinc/24/82/94/501248294.db2.gz QCLOEOPNJWMZCJ-RRFJBIMHSA-N 2 0 363.468 3.027 20 0 FGADRP CC(C)[C@H](Cn1cccn1)[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000453103545 501269735 /nfs/dbraw/zinc/26/97/35/501269735.db2.gz BDGCMUQLPRADMH-NRFANRHFSA-N 2 0 356.514 3.172 20 0 FGADRP c1ccc(C[N@@H+]2CC[C@H]([NH2+][C@@H]3CCO[C@]4(CCOC4)C3)[C@H]3CCC[C@H]32)cc1 ZINC000453161143 501281768 /nfs/dbraw/zinc/28/17/68/501281768.db2.gz IRPSNRGWMWHKNC-XNBWIAOKSA-N 2 0 370.537 3.357 20 0 FGADRP C[C@H]([NH2+]CCc1ccc(OCC[N@@H+]2C[C@H](C)[C@H](C)C2)cc1)c1ccncn1 ZINC000453161154 501281805 /nfs/dbraw/zinc/28/18/05/501281805.db2.gz ISASRDKXRZTTDF-OTWHNJEPSA-N 2 0 368.525 3.337 20 0 FGADRP c1ccc(C[N@@H+]2CC[C@H]([NH2+][C@@H]3CCO[C@]4(CCOC4)C3)[C@H]3CCC[C@@H]32)cc1 ZINC000453161141 501282026 /nfs/dbraw/zinc/28/20/26/501282026.db2.gz IRPSNRGWMWHKNC-MHMIHQHRSA-N 2 0 370.537 3.357 20 0 FGADRP CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)C1C[NH+](C2CCCCC2)C1 ZINC000457699458 501290399 /nfs/dbraw/zinc/29/03/99/501290399.db2.gz XPPDLLFHEYNNMW-UHFFFAOYSA-N 2 0 370.541 3.021 20 0 FGADRP Cc1c([C@H](C)[NH2+]C[C@H]2CCCCN2CCO)cnn1-c1cc(C)ccc1C ZINC000453278811 501306683 /nfs/dbraw/zinc/30/66/83/501306683.db2.gz ZKDNYNPVMFOUAW-AZUAARDMSA-N 2 0 370.541 3.295 20 0 FGADRP CC(C)[NH+]1CCN(CCC[NH2+][C@@H]2C[C@H](OCc3ccccc3)C2(C)C)CC1 ZINC000451498075 501306793 /nfs/dbraw/zinc/30/67/93/501306793.db2.gz NDQBCUMGQBINRQ-YADHBBJMSA-N 2 0 373.585 3.376 20 0 FGADRP CC(C)(C)CC(C)(C)[NH+]1CCN(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000457800922 501311635 /nfs/dbraw/zinc/31/16/35/501311635.db2.gz XXEGZOGKPHUUPI-MSOLQXFVSA-N 2 0 364.578 3.155 20 0 FGADRP C[C@H](C(=O)NCC[C@H]1CCC[N@H+](C)C1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000458172535 501384329 /nfs/dbraw/zinc/38/43/29/501384329.db2.gz QUEXZQNDVCRSLG-DENIHFKCSA-N 2 0 371.569 3.178 20 0 FGADRP C[NH+](C)CCN(Cc1ccsc1)C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000458195665 501389389 /nfs/dbraw/zinc/38/93/89/501389389.db2.gz CGLNYFSAIDCSNW-GOSISDBHSA-N 2 0 363.571 3.293 20 0 FGADRP CC(C)[NH+]1CCN(CCCN2CC[NH+](C(C)(C)CC(C)(C)C)CC2)CC1 ZINC000451902119 501396589 /nfs/dbraw/zinc/39/65/89/501396589.db2.gz NBUCTNCBNOIRPG-UHFFFAOYSA-N 2 0 366.638 3.235 20 0 FGADRP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000455850315 501400007 /nfs/dbraw/zinc/40/00/07/501400007.db2.gz KRSVDQMUVFTNFI-QRWLVFNGSA-N 2 0 358.530 3.430 20 0 FGADRP C[NH+](C)CCOc1ccc(NC(=O)c2ccc(C[NH+](C)C)cc2)cc1F ZINC000458274387 501408843 /nfs/dbraw/zinc/40/88/43/501408843.db2.gz BEKQTRUCRBKOCN-UHFFFAOYSA-N 2 0 359.445 3.080 20 0 FGADRP C[NH+](C)[C@H]1CCc2cc(NC(=O)N3CC[C@@H]([NH+]4CCCCC4)C3)ccc21 ZINC000455892906 501408893 /nfs/dbraw/zinc/40/88/93/501408893.db2.gz CACJDNGJLCSOSU-QUCCMNQESA-N 2 0 356.514 3.328 20 0 FGADRP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000455909088 501412962 /nfs/dbraw/zinc/41/29/62/501412962.db2.gz ILDAXIYQKVXYHC-QINHECLXSA-N 2 0 358.530 3.477 20 0 FGADRP CC[NH+]1CCN(CC(C)(C)[NH2+]CCOc2cccc3ccccc32)CC1 ZINC000451989437 501414389 /nfs/dbraw/zinc/41/43/89/501414389.db2.gz QOUDKKHNKJEXEY-UHFFFAOYSA-N 2 0 355.526 3.224 20 0 FGADRP C[NH+](C)[C@H]1CCc2cc(NC(=O)N3CC[C@@H](C4CC[NH+](C)CC4)C3)ccc21 ZINC000455935035 501420102 /nfs/dbraw/zinc/42/01/02/501420102.db2.gz RERWRLZQPSBKKM-NQIIRXRSSA-N 2 0 370.541 3.431 20 0 FGADRP CC[C@@H]1C[N@H+](CC)CCN1C(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000458396830 501435638 /nfs/dbraw/zinc/43/56/38/501435638.db2.gz DBLUEYFVLXKHLV-GHTZIAJQSA-N 2 0 372.557 3.338 20 0 FGADRP C[C@H](CCNC(=O)N1CC[C@@]2(C1)CCC[N@H+](C)C2)[NH+](C)Cc1ccccc1 ZINC000458508435 501462219 /nfs/dbraw/zinc/46/22/19/501462219.db2.gz OKNMJMTUVXAEBP-KNQAVFIVSA-N 2 0 372.557 3.024 20 0 FGADRP CC1CC[NH+](C2CCC(NC(=O)NC(C)(C)C[NH+]3CCCC3)CC2)CC1 ZINC000458567079 501476318 /nfs/dbraw/zinc/47/63/18/501476318.db2.gz JSWPKRCUGUGBDH-UHFFFAOYSA-N 2 0 364.578 3.203 20 0 FGADRP C[N@H+](CCCCNC(=O)NC[C@@H]1CCCC[NH+]1Cc1ccccc1)C1CC1 ZINC000454383616 501529507 /nfs/dbraw/zinc/52/95/07/501529507.db2.gz FRMKUOLZYJSPRP-NRFANRHFSA-N 2 0 372.557 3.215 20 0 FGADRP CC[C@@H]1C[C@H]1CNC(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000458983990 501570946 /nfs/dbraw/zinc/57/09/46/501570946.db2.gz DVYVVUKNVDHAHA-PIKOESSRSA-N 2 0 364.578 3.011 20 0 FGADRP C[C@H](CCNC(=O)N[C@H]1C[C@H](C)n2ccnc21)[N@H+](C)Cc1ccccc1 ZINC000454581961 501583968 /nfs/dbraw/zinc/58/39/68/501583968.db2.gz BWFOYMFGDNAPQN-RYRKJORJSA-N 2 0 355.486 3.099 20 0 FGADRP C[NH+]1CCC(Oc2ccc(Cl)cc2NC(=O)C2CC[NH+](C)CC2)CC1 ZINC000456785374 501598121 /nfs/dbraw/zinc/59/81/21/501598121.db2.gz DCVXZWVUWIGJJJ-UHFFFAOYSA-N 2 0 365.905 3.093 20 0 FGADRP C[C@@H]1C[C@H](NC(=O)N2CC[NH+](C(C)(C)CC(C)(C)C)CC2)CC[N@@H+]1C ZINC000454646024 501600370 /nfs/dbraw/zinc/60/03/70/501600370.db2.gz PIZAEXDZFVMQPG-IAGOWNOFSA-N 2 0 352.567 3.011 20 0 FGADRP CCOCC[C@H](O)C[N@@H+]1CC(C)(C)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000453030712 501604495 /nfs/dbraw/zinc/60/44/95/501604495.db2.gz YQSDJPKJJIMTES-VXKWHMMOSA-N 2 0 374.569 3.397 20 0 FGADRP O=C(NCCCCC[NH+]1CCCC1)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000454878305 501647919 /nfs/dbraw/zinc/64/79/19/501647919.db2.gz WSHRPYPYCJJJLC-OAQYLSRUSA-N 2 0 372.557 3.074 20 0 FGADRP C[NH+](C)CCN(Cc1ccsc1)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000457382245 501690988 /nfs/dbraw/zinc/69/09/88/501690988.db2.gz DCQQERBJCQRRJS-UHFFFAOYSA-N 2 0 366.575 3.131 20 0 FGADRP C[N@@H+]1CCC[C@@H](CC[NH2+]Cc2cn(-c3ccc(Cl)cc3Cl)nn2)C1 ZINC000459722430 501703748 /nfs/dbraw/zinc/70/37/48/501703748.db2.gz BIFPAKIZUCXZQD-ZDUSSCGKSA-N 2 0 368.312 3.396 20 0 FGADRP COC(=O)c1ccc(C[NH2+]CC[C@@H]2CCC[N@H+](C)C2)c(Br)c1 ZINC000459798409 501715191 /nfs/dbraw/zinc/71/51/91/501715191.db2.gz XRXVHXMIGFZJBT-ZDUSSCGKSA-N 2 0 369.303 3.057 20 0 FGADRP CO[C@@H]1C[C@@H]([NH2+]Cc2ccccc2N(C)C2CC[NH+](C)CC2)C12CCC2 ZINC000459799072 501715282 /nfs/dbraw/zinc/71/52/82/501715282.db2.gz YHBKGIOJOIOADL-NHCUHLMSSA-N 2 0 357.542 3.264 20 0 FGADRP COc1ccc([C@H](CNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)[NH+]2CCCCC2)cc1 ZINC000467293283 501761684 /nfs/dbraw/zinc/76/16/84/501761684.db2.gz JFJCQBYHRNGDEK-OPYAIIAOSA-N 2 0 373.541 3.211 20 0 FGADRP C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)C[C@@H]1C ZINC000463736427 501806169 /nfs/dbraw/zinc/80/61/69/501806169.db2.gz OQUBGGOTEIZTNO-LVCYWYKZSA-N 2 0 357.542 3.427 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+]Cc2ccc(Cl)cc2-n2cncn2)C1 ZINC000474478391 501850285 /nfs/dbraw/zinc/85/02/85/501850285.db2.gz PCDJPFQXJANKJK-IYBDPMFKSA-N 2 0 361.921 3.378 20 0 FGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@H](C)c2nc(C(F)(F)F)cs2)CC1 ZINC000467747520 501858531 /nfs/dbraw/zinc/85/85/31/501858531.db2.gz UALSFEBIQGGNMJ-QWHCGFSZSA-N 2 0 364.481 3.086 20 0 FGADRP CCC[N@H+](CC)C[C@H](C)NC(=O)N[C@@H](C)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000460647444 501884952 /nfs/dbraw/zinc/88/49/52/501884952.db2.gz HULRIERMGNHXIF-BZSNNMDCSA-N 2 0 352.567 3.059 20 0 FGADRP CCCC[N@H+](C)C[C@H](C)NC(=O)N[C@@H](C)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000460655231 501887579 /nfs/dbraw/zinc/88/75/79/501887579.db2.gz KZKQFCMXZHGGRN-ZJOUEHCJSA-N 2 0 374.573 3.317 20 0 FGADRP Cc1ccccc1-n1nccc1C[NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000474598970 501887985 /nfs/dbraw/zinc/88/79/85/501887985.db2.gz LXJLSOQDSYLRJH-KDURUIRLSA-N 2 0 356.514 3.160 20 0 FGADRP OC1CC[NH+](Cc2ccc(C[NH2+][C@@H]3CCC[C@@H]([C@H]4CCOC4)C3)cc2)CC1 ZINC000464071300 501890313 /nfs/dbraw/zinc/89/03/13/501890313.db2.gz XAVZJAPGKLAIBJ-BHIFYINESA-N 2 0 372.553 3.328 20 0 FGADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCC(=O)Nc2ccc(OC)c(Cl)c2)C[C@@H]1C ZINC000485671592 501896219 /nfs/dbraw/zinc/89/62/19/501896219.db2.gz JBQPONCWVPFCHU-GOEBONIOSA-N 2 0 367.921 3.482 20 0 FGADRP CC[N@@H+]1CC[C@H]([NH+](C)CCC(=O)Nc2ccc(OC)c(Cl)c2)[C@@H](C)C1 ZINC000485677636 501898799 /nfs/dbraw/zinc/89/87/99/501898799.db2.gz GFNBQKYECNNKIY-YOEHRIQHSA-N 2 0 367.921 3.339 20 0 FGADRP CC(C)(C)NC(=O)C[NH+]1CCC(C[NH2+]Cc2cc(F)cc(Cl)c2)CC1 ZINC000485704811 501907411 /nfs/dbraw/zinc/90/74/11/501907411.db2.gz YYOFDDKRKJWUIM-UHFFFAOYSA-N 2 0 369.912 3.195 20 0 FGADRP Cc1ccc(F)cc1CNc1ccc2[nH]c(CCN3CCOCC3)[nH+]c2c1 ZINC000478236725 501917643 /nfs/dbraw/zinc/91/76/43/501917643.db2.gz UZPKJQWXOPKYJF-UHFFFAOYSA-N 2 0 368.456 3.497 20 0 FGADRP C[C@H]([NH2+]CCCC[NH+](C)C)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000481954401 501928749 /nfs/dbraw/zinc/92/87/49/501928749.db2.gz PTNKYXJJECFYSB-INIZCTEOSA-N 2 0 352.544 3.395 20 0 FGADRP COC(=O)C[C@@H]1CC[C@H]([NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)[C@@H]1C ZINC000474716612 501932004 /nfs/dbraw/zinc/93/20/04/501932004.db2.gz VMJUMAICUMROFJ-LMNJBCLMSA-N 2 0 374.525 3.229 20 0 FGADRP CC1CC[NH+]([C@H](CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)c2cccs2)CC1 ZINC000468075171 501948568 /nfs/dbraw/zinc/94/85/68/501948568.db2.gz XIYSCVREKOCLOE-OKZBNKHCSA-N 2 0 363.571 3.368 20 0 FGADRP CCOC(=O)C1(C)CCC([NH2+]Cc2ccc(F)c(C[NH+](C)C)c2)CC1 ZINC000474816224 501962581 /nfs/dbraw/zinc/96/25/81/501962581.db2.gz KOIANHOZAIFOQU-UHFFFAOYSA-N 2 0 350.478 3.489 20 0 FGADRP CNC(=O)C[C@H]([NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1)c1ccccc1 ZINC000482070841 501965499 /nfs/dbraw/zinc/96/54/99/501965499.db2.gz FFGYCHYVRXFWPH-UWJYYQICSA-N 2 0 369.509 3.155 20 0 FGADRP CC(C)(CNC(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1)C[NH+]1CCCC1 ZINC000478410421 501972190 /nfs/dbraw/zinc/97/21/90/501972190.db2.gz VKAZERFVTNZQDU-HXUWFJFHSA-N 2 0 372.557 3.072 20 0 FGADRP CC(C)(CNC(=O)NCc1ccccc1C[NH+]1CCCC1)C[NH+]1CCCC1 ZINC000478420833 501977036 /nfs/dbraw/zinc/97/70/36/501977036.db2.gz YISDZZWYWTWXOL-UHFFFAOYSA-N 2 0 372.557 3.204 20 0 FGADRP c1ccc2c(c1)SCC[C@@H]2[NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000482112996 501978571 /nfs/dbraw/zinc/97/85/71/501978571.db2.gz IKWKWWXGPAYVHI-FQEVSTJZSA-N 2 0 368.550 3.420 20 0 FGADRP CN(CC[C@H]1CCC[N@@H+]1C)[C@@H]1CCCC[C@@H]1[NH+](C)CC[C@@H]1CCC[NH+]1C ZINC000464494283 502004947 /nfs/dbraw/zinc/00/49/47/502004947.db2.gz AKISQLBYHPFWKA-COPRSSIGSA-N 3 0 364.622 3.130 20 0 FGADRP CCOC(=O)c1ncc(CN2CCC(C[NH+]3CCCCCC3)CC2)s1 ZINC000602761417 506288616 /nfs/dbraw/zinc/28/86/16/506288616.db2.gz CNCAZASVIGKIND-UHFFFAOYSA-N 2 0 365.543 3.408 20 0 FGADRP CCN(C(=O)NCCC[NH+](CC)CC)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475027158 502026055 /nfs/dbraw/zinc/02/60/55/502026055.db2.gz FLVNQSHWEWPZDO-HXUWFJFHSA-N 2 0 360.546 3.024 20 0 FGADRP CC[N@H+](CCc1cccs1)CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000475041707 502031690 /nfs/dbraw/zinc/03/16/90/502031690.db2.gz RSBINECFUCUYBY-IBGZPJMESA-N 2 0 359.539 3.032 20 0 FGADRP CCCN(CCC[NH+](C)C)C(=O)NC[C@H](CC)[N@@H+]1CCc2ccccc2C1 ZINC000468430426 502056590 /nfs/dbraw/zinc/05/65/90/502056590.db2.gz XZDZPYSUIPXFIZ-NRFANRHFSA-N 2 0 374.573 3.197 20 0 FGADRP CCCN(CCC[NH+](C)C)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000468446571 502061355 /nfs/dbraw/zinc/06/13/55/502061355.db2.gz NMLRIGPPPRLGSQ-UHFFFAOYSA-N 2 0 360.546 3.156 20 0 FGADRP Cc1cccc([C@@H](C)[NH2+]CCCC[NH+]2CCN(c3ncccn3)CC2)c1C ZINC000482432868 502066262 /nfs/dbraw/zinc/06/62/62/502066262.db2.gz BSBUSKWNABPZHY-HXUWFJFHSA-N 2 0 367.541 3.346 20 0 FGADRP c1cnc(N2CC[NH+](CCCC[NH2+][C@@H]3CCCc4ccccc43)CC2)nc1 ZINC000482447571 502069118 /nfs/dbraw/zinc/06/91/18/502069118.db2.gz QLXSENPOSWDXKD-OAQYLSRUSA-N 2 0 365.525 3.046 20 0 FGADRP C[C@H](CNC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCCC[C@H]1C ZINC000475127663 502069998 /nfs/dbraw/zinc/06/99/98/502069998.db2.gz DEPSPCXMADLJOT-SFHLNBCPSA-N 2 0 372.557 3.165 20 0 FGADRP Cc1ccc([C@H](C)[NH2+]CCCC[NH+]2CCN(c3ncccn3)CC2)c(C)c1 ZINC000482453750 502073733 /nfs/dbraw/zinc/07/37/33/502073733.db2.gz DAJNFIOZVAKPHZ-FQEVSTJZSA-N 2 0 367.541 3.346 20 0 FGADRP CC(C)[NH+]1CCC([NH2+][C@H](C)CCCCN2C(=O)c3ccccc3C2=O)CC1 ZINC000471584557 502074750 /nfs/dbraw/zinc/07/47/50/502074750.db2.gz HNZDXAMBNQANPR-QGZVFWFLSA-N 2 0 371.525 3.304 20 0 FGADRP Cc1cccc([C@H]2CC[N@@H+](CC(=O)NC[C@@H](c3ccccc3)[NH+](C)C)C2)c1 ZINC000475141660 502077559 /nfs/dbraw/zinc/07/75/59/502077559.db2.gz VRHOBGDYRAEYKL-VXKWHMMOSA-N 2 0 365.521 3.203 20 0 FGADRP C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000468492055 502079894 /nfs/dbraw/zinc/07/98/94/502079894.db2.gz LZCANPNMCQANLI-FQEVSTJZSA-N 2 0 357.542 3.135 20 0 FGADRP Cc1cc(C)cc([C@H](C)[NH2+]CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)c1 ZINC000475149546 502082449 /nfs/dbraw/zinc/08/24/49/502082449.db2.gz PJCXEXXNYHATKX-GHTZIAJQSA-N 2 0 353.510 3.373 20 0 FGADRP C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)NCC(C)(C)C[NH+]2CCCC2)C1 ZINC000478780310 502082906 /nfs/dbraw/zinc/08/29/06/502082906.db2.gz MAKPHEOYXHDIHZ-OALUTQOASA-N 2 0 366.594 3.166 20 0 FGADRP CCCN(CCC[NH+](C)C)C(=O)N[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000468532962 502094577 /nfs/dbraw/zinc/09/45/77/502094577.db2.gz RPYRYDVBDOAUOQ-UYAOXDASSA-N 2 0 360.546 3.195 20 0 FGADRP COc1ccc([C@@H]2CCCC[C@@H]2[NH2+]CC2CC[NH+](CCO)CC2)cc1F ZINC000482541339 502105165 /nfs/dbraw/zinc/10/51/65/502105165.db2.gz FQASPAHZSZQUPY-ICSRJNTNSA-N 2 0 364.505 3.154 20 0 FGADRP CCC[NH+]1CCN(c2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C3CC3)C2)CC1 ZINC000475269896 502112020 /nfs/dbraw/zinc/11/20/20/502112020.db2.gz NVTQSTUVJKZUGK-XMSQKQJNSA-N 2 0 357.542 3.218 20 0 FGADRP C[C@@H]1C[N@@H+](Cc2ccccc2C[NH2+][C@H]2CCCc3nn(C)cc32)C[C@H](C)O1 ZINC000479064114 502151981 /nfs/dbraw/zinc/15/19/81/502151981.db2.gz GHABNZZHGHSZJA-FVJLSDCUSA-N 2 0 368.525 3.197 20 0 FGADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000468750418 502170978 /nfs/dbraw/zinc/17/09/78/502170978.db2.gz ZHPBHPODAOZTPM-IRXDYDNUSA-N 2 0 361.555 3.089 20 0 FGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]C[C@@H](O)CCC(C)C)CC1 ZINC000482813198 502187053 /nfs/dbraw/zinc/18/70/53/502187053.db2.gz STRWUEWTIOPGJL-HKUYNNGSSA-N 2 0 365.537 3.415 20 0 FGADRP C[NH+]1CCN(c2ncccc2C[NH2+][C@H]2CCc3ccc(Cl)cc32)CC1 ZINC000479190383 502188416 /nfs/dbraw/zinc/18/84/16/502188416.db2.gz IPTGHGUDRWREQT-IBGZPJMESA-N 2 0 356.901 3.264 20 0 FGADRP c1ccc(CN2CC[NH+](CCCC[NH2+]C3Cc4ccccc4C3)CC2)cc1 ZINC000461803897 502208789 /nfs/dbraw/zinc/20/87/89/502208789.db2.gz SLBBZLVDRZJTSK-UHFFFAOYSA-N 2 0 363.549 3.341 20 0 FGADRP O=C([C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)N1CCC2(CC[NH2+]CC2)CC1 ZINC000479296654 502217371 /nfs/dbraw/zinc/21/73/71/502217371.db2.gz QJAGHMGIEXPZPA-LJQANCHMSA-N 2 0 373.516 3.030 20 0 FGADRP CCN(CCC[NH+]1CCCC1)C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000472071346 502219417 /nfs/dbraw/zinc/21/94/17/502219417.db2.gz BXBULCYELZYDGR-NRFANRHFSA-N 2 0 372.557 3.168 20 0 FGADRP Cc1ccc(NC(=O)CC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)nc1 ZINC000482943909 502223650 /nfs/dbraw/zinc/22/36/50/502223650.db2.gz FXEDMXGCOFUTGC-ICSRJNTNSA-N 2 0 366.509 3.219 20 0 FGADRP C[C@@H]1C[N@@H+](Cc2ccc(C[NH2+][C@@H]3CCCc4nn(C)cc43)cc2)C[C@H](C)O1 ZINC000479360598 502235511 /nfs/dbraw/zinc/23/55/11/502235511.db2.gz METACXMOSHKCMT-LLGFUMIMSA-N 2 0 368.525 3.197 20 0 FGADRP CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC(=O)NC[C@@H]1CC[N@H+](CC(C)C)C1 ZINC000465397648 502250693 /nfs/dbraw/zinc/25/06/93/502250693.db2.gz SVJSPTMLSWNWSP-SLFFLAALSA-N 2 0 366.594 3.164 20 0 FGADRP CC[C@H](C(=O)N1CCC[N@H+](CCCc2ccccc2)CC1)[NH+](CC)CC ZINC000462008752 502271939 /nfs/dbraw/zinc/27/19/39/502271939.db2.gz IGZPWPGUISSRMJ-OAQYLSRUSA-N 2 0 359.558 3.274 20 0 FGADRP CCCC[N@H+](C)C[C@@H](C)NC(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000462014073 502274323 /nfs/dbraw/zinc/27/43/23/502274323.db2.gz YJEYODYBDVFKGC-LJQANCHMSA-N 2 0 374.573 3.413 20 0 FGADRP CC[C@H](C(=O)N1CC[C@H](C[NH+](C)CC2CC2)C1)[N@H+](C)Cc1ccccc1 ZINC000582577149 506303986 /nfs/dbraw/zinc/30/39/86/506303986.db2.gz MHSLEMZZTWLZPA-NHCUHLMSSA-N 2 0 357.542 3.087 20 0 FGADRP CC[C@@H](C(=O)N1CC[C@H](C[NH+](C)CC2CC2)C1)[N@H+](C)Cc1ccccc1 ZINC000582577150 506304131 /nfs/dbraw/zinc/30/41/31/506304131.db2.gz MHSLEMZZTWLZPA-RTWAWAEBSA-N 2 0 357.542 3.087 20 0 FGADRP C(=C\c1ccncc1)\C[NH2+]CCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000486943899 502312233 /nfs/dbraw/zinc/31/22/33/502312233.db2.gz YHBZGIDTZRVLJZ-SREVYHEPSA-N 2 0 350.510 3.287 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C)CC(C)C ZINC000465579544 502314245 /nfs/dbraw/zinc/31/42/45/502314245.db2.gz XFPBBRWPESLVEX-HSALFYBXSA-N 2 0 366.594 3.400 20 0 FGADRP CCN(CCC[NH+]1CCCC1)C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000472331457 502319241 /nfs/dbraw/zinc/31/92/41/502319241.db2.gz XZMUXHUUDKFDKN-NRFANRHFSA-N 2 0 372.557 3.026 20 0 FGADRP C[C@@H]1C[C@@H](N(C)C(=O)NCc2ccccc2C[NH+]2CCCCC2)CC[N@@H+]1C ZINC000465604114 502323477 /nfs/dbraw/zinc/32/34/77/502323477.db2.gz ULESXYCBWJUPGX-NQIIRXRSSA-N 2 0 372.557 3.297 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](C)c1ccc(C)cc1 ZINC000465653690 502337658 /nfs/dbraw/zinc/33/76/58/502337658.db2.gz FWJRXIHISBQRRT-AZUAARDMSA-N 2 0 360.546 3.114 20 0 FGADRP O=C(NC1CC[NH+](C2CCCCC2)CC1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000476008075 502356421 /nfs/dbraw/zinc/35/64/21/502356421.db2.gz PKLDWMVBFDWZEP-HXUWFJFHSA-N 2 0 362.562 3.053 20 0 FGADRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N[C@@H]2CC[NH+](CC3CCCC3)C2)C1 ZINC000465753530 502371299 /nfs/dbraw/zinc/37/12/99/502371299.db2.gz KFHBBOBQINFQKU-IEBWSBKVSA-N 2 0 364.578 3.061 20 0 FGADRP C[C@H](NC(=O)NCCCC[NH+]1CCC(C)CC1)[C@H](c1ccccc1)[NH+](C)C ZINC000479807773 502383280 /nfs/dbraw/zinc/38/32/80/502383280.db2.gz BFPHPXWAAIQUJD-PZJWPPBQSA-N 2 0 374.573 3.489 20 0 FGADRP CCOc1c(Cl)cccc1C[NH2+]C[C@@H](C)CN1CC[NH+](CC)CC1 ZINC000487320751 502417622 /nfs/dbraw/zinc/41/76/22/502417622.db2.gz OETREIZHMKAUET-MRXNPFEDSA-N 2 0 353.938 3.102 20 0 FGADRP CCOc1ccc(-c2nc(CN3CC[C@@]4(CC[NH2+]C4)C3)cs2)cc1OC ZINC000462397411 502421222 /nfs/dbraw/zinc/42/12/22/502421222.db2.gz NGKTZTDYXAIZHX-HXUWFJFHSA-N 2 0 373.522 3.403 20 0 FGADRP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC000472761195 502432445 /nfs/dbraw/zinc/43/24/45/502432445.db2.gz DBUMTVPBKXVHML-WBVHZDCISA-N 2 0 364.921 3.260 20 0 FGADRP COc1ccc(Cl)c(CN2CCN(CC[NH+]3[C@@H](C)CC[C@@H]3C)CC2)c1 ZINC000483610625 502442699 /nfs/dbraw/zinc/44/26/99/502442699.db2.gz XBYBLSKSRAPWSD-IRXDYDNUSA-N 2 0 365.949 3.339 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@H](C)C1CCCCC1 ZINC000466005174 502451533 /nfs/dbraw/zinc/45/15/33/502451533.db2.gz UILKRCCCKYBVAU-MJGOQNOKSA-N 2 0 352.567 3.013 20 0 FGADRP C[C@@H]1CCC[C@](CNC(=O)NC2CC[NH+](C3CCCC3)CC2)([NH+](C)C)C1 ZINC000483688150 502464178 /nfs/dbraw/zinc/46/41/78/502464178.db2.gz CQBRAPLSEJWFAC-UTKZUKDTSA-N 2 0 364.578 3.203 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NCCCC[NH+]2C[C@H](C)C[C@@H](C)C2)C[C@H]1C ZINC000483690443 502464419 /nfs/dbraw/zinc/46/44/19/502464419.db2.gz GQHAJZIVTXAGBQ-WTGUMLROSA-N 2 0 366.594 3.259 20 0 FGADRP C[C@H]([NH2+]Cc1ccc(C[NH+](C)C)cc1)c1cccc(N2CCOCC2)c1 ZINC000480139716 502481859 /nfs/dbraw/zinc/48/18/59/502481859.db2.gz IQPKFDSTGBXOMS-SFHVURJKSA-N 2 0 353.510 3.436 20 0 FGADRP CC(C)C[C@H](C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)N1CCOCC1 ZINC000480266331 502518364 /nfs/dbraw/zinc/51/83/64/502518364.db2.gz OQJAHDOEHUREOS-WWNPGLIZSA-N 2 0 373.585 3.234 20 0 FGADRP CCc1oc2ccccc2c1C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000469860169 502572206 /nfs/dbraw/zinc/57/22/06/502572206.db2.gz DPYQLVXQVFJJLZ-LPHOPBHVSA-N 2 0 369.509 3.075 20 0 FGADRP CC[NH+]1CCN(Cc2ccccc2C[NH2+]Cc2cc(F)ccc2OC)CC1 ZINC000462785785 502572736 /nfs/dbraw/zinc/57/27/36/502572736.db2.gz RRVFDQHRCCMPJJ-UHFFFAOYSA-N 2 0 371.500 3.262 20 0 FGADRP CC1CC[NH+](CCC[C@@H]([NH2+][C@H]2CC(=O)N(C)C2)c2ccc(F)cc2)CC1 ZINC000462803075 502581026 /nfs/dbraw/zinc/58/10/26/502581026.db2.gz PUEXITBLSILBIV-VQTJNVASSA-N 2 0 361.505 3.199 20 0 FGADRP C[C@H]1C[C@@H]([NH2+]CC2(O)CC[NH+](C)CC2)c2cccc(Br)c21 ZINC000484142231 502582026 /nfs/dbraw/zinc/58/20/26/502582026.db2.gz IDXDBCALFKHJKA-SWLSCSKDSA-N 2 0 353.304 3.044 20 0 FGADRP Cn1c2ccc(C(F)(F)F)cc2nc1CN1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000469888144 502584760 /nfs/dbraw/zinc/58/47/60/502584760.db2.gz MDLMLAKMJIPHGO-IACUBPJLSA-N 2 0 352.404 3.151 20 0 FGADRP C[C@@H]1CCC[C@](CNC(=O)N2CC[N@@H+](C3CCC3)C[C@H](C)C2)([NH+](C)C)C1 ZINC000488019064 502602114 /nfs/dbraw/zinc/60/21/14/502602114.db2.gz WDKYZMQFZYPNIJ-LQWHRVPQSA-N 2 0 364.578 3.013 20 0 FGADRP O[C@H]1CC[N@H+](Cc2cccc(NC3CC[NH+](CCC(F)(F)F)CC3)c2)C1 ZINC000462866504 502605820 /nfs/dbraw/zinc/60/58/20/502605820.db2.gz NBWOKGNVEMVMFP-SFHVURJKSA-N 2 0 371.447 3.082 20 0 FGADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)[C@H](c2ccccc2)N2CCOCC2)C1 ZINC000480584090 502610418 /nfs/dbraw/zinc/61/04/18/502610418.db2.gz PEAYUQUYJWZNDX-TUNNFDKTSA-N 2 0 359.558 3.158 20 0 FGADRP CCNC(=O)c1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000480600046 502616559 /nfs/dbraw/zinc/61/65/59/502616559.db2.gz HJBAYSZDQMAIQN-PGRDOPGGSA-N 2 0 365.521 3.437 20 0 FGADRP Cc1ccc(CNC(=O)c2cccc(CN[C@H]3CC[N@@H+](C)C[C@H]3C)c2)cc1 ZINC000480615488 502621930 /nfs/dbraw/zinc/62/19/30/502621930.db2.gz WGGAQMBAVFDFFN-GCJKJVERSA-N 2 0 365.521 3.355 20 0 FGADRP CCOc1cc(C[NH+]2CCC([C@@H](C)[NH3+])CC2)cc(Br)c1OC ZINC000470000060 502625797 /nfs/dbraw/zinc/62/57/97/502625797.db2.gz OHQSGFXJMCDHEL-GFCCVEGCSA-N 2 0 371.319 3.416 20 0 FGADRP C[C@@H]([NH3+])C1CC[NH+](Cc2cnn(-c3ccc(Br)cc3)c2)CC1 ZINC000470019526 502632247 /nfs/dbraw/zinc/63/22/47/502632247.db2.gz GEKQGYCWUYWYRI-CYBMUJFWSA-N 2 0 363.303 3.194 20 0 FGADRP CC[NH+](CC)CC1CC[NH+](CC(=O)NCCc2ccc(Cl)cc2)CC1 ZINC000488341277 502689297 /nfs/dbraw/zinc/68/92/97/502689297.db2.gz CDDGYZIVMOZRFJ-UHFFFAOYSA-N 2 0 365.949 3.053 20 0 FGADRP Cc1nc2ccccc2n1CCCCC[N@@H+]1CCO[C@]2(CCO[C@@H]2C)C1 ZINC000463210963 502719836 /nfs/dbraw/zinc/71/98/36/502719836.db2.gz OQMDYGHVFYIERG-DYESRHJHSA-N 2 0 357.498 3.395 20 0 FGADRP C[NH+](C)[C@@]1(CNC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CCSC1 ZINC000463241058 502733151 /nfs/dbraw/zinc/73/31/51/502733151.db2.gz ZUVIUEGWZWIPTE-OTYNDTSQSA-N 2 0 359.583 3.209 20 0 FGADRP C[C@@H](CCNC(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C)[NH+]1CCCCC1 ZINC000463269734 502741094 /nfs/dbraw/zinc/74/10/94/502741094.db2.gz CANNWFPIQWLHNY-DYXWJJEUSA-N 2 0 372.557 3.071 20 0 FGADRP COC(=O)c1ccc(-c2nc(C[NH+]3CCC(C[NH+](C)C)CC3)cs2)cc1 ZINC000481057753 502743703 /nfs/dbraw/zinc/74/37/03/502743703.db2.gz NNLDVJBZHUAVIJ-UHFFFAOYSA-N 2 0 373.522 3.370 20 0 FGADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCC[C@H]([NH+]3CCCC3)C2)C1 ZINC000477339582 502747348 /nfs/dbraw/zinc/74/73/48/502747348.db2.gz QTEMXKPTDDXOCM-MOPGFXCFSA-N 2 0 364.578 3.157 20 0 FGADRP CC(C)C[C@H]([NH2+]C[C@@H](C)c1cccc(Cl)c1)C(=O)NCC[NH+](C)C ZINC000470364299 502750696 /nfs/dbraw/zinc/75/06/96/502750696.db2.gz TWWCVQPRDNAAHP-QAPCUYQASA-N 2 0 353.938 3.126 20 0 FGADRP CCC[NH+](CCC)CCCNC(=O)N1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC000488597471 502761819 /nfs/dbraw/zinc/76/18/19/502761819.db2.gz PEQHHWFSCWSIHG-SFHVURJKSA-N 2 0 352.567 3.014 20 0 FGADRP CCN(C(=O)NC[C@H](C)[NH+](C)C1CC1)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000473957595 502763069 /nfs/dbraw/zinc/76/30/69/502763069.db2.gz HOHHGFXCXFXHQB-WFXMLNOXSA-N 2 0 372.557 3.336 20 0 FGADRP CC[NH+](CC)[C@@H]1CCN(C(=O)N[C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000488642273 502772849 /nfs/dbraw/zinc/77/28/49/502772849.db2.gz IEAGRMPYQHLWRY-CEWLAPEOSA-N 2 0 372.557 3.023 20 0 FGADRP C[C@@H]([NH3+])[C@H]1CC[N@H+](CCC(=O)Nc2ccc(Oc3ccccc3)cc2)C1 ZINC000484919654 502777432 /nfs/dbraw/zinc/77/74/32/502777432.db2.gz UXMQQILCMDHHBU-SJORKVTESA-N 2 0 353.466 3.477 20 0 FGADRP CCN(C(=O)N[C@H](C)CC[NH+](C)C)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000474009942 502777981 /nfs/dbraw/zinc/77/79/81/502777981.db2.gz MPFPNZHFLJNAFV-HBFSDRIKSA-N 2 0 360.546 3.194 20 0 FGADRP CC(C)C[C@H](C)N(C)C(=O)CN[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000481194359 502780026 /nfs/dbraw/zinc/78/00/26/502780026.db2.gz WFNJMXNSJRTBCD-DYXWJJEUSA-N 2 0 359.558 3.380 20 0 FGADRP CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@H]1CC[N@H+](C2CC2)[C@H]1c1cccc(OC)c1 ZINC000477487187 502786153 /nfs/dbraw/zinc/78/61/53/502786153.db2.gz JGBXTGPYTLZJGJ-XPGWFJOJSA-N 2 0 373.541 3.256 20 0 FGADRP CC(C)[NH+](CCCNC(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1)C(C)C ZINC000470478217 502790276 /nfs/dbraw/zinc/79/02/76/502790276.db2.gz UOBOTHFXCDJMGS-KDURUIRLSA-N 2 0 354.583 3.163 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)N3CCC[NH+](C)CC3)cc2)C1 ZINC000500657393 502833622 /nfs/dbraw/zinc/83/36/22/502833622.db2.gz WXMRDUUOLQTTLG-KDURUIRLSA-N 2 0 372.557 3.012 20 0 FGADRP CC[C@H](C)[NH2+][C@H](CNC(=O)NCC[N@H+]1[C@H](C)CCC[C@@H]1C)c1ccco1 ZINC000495455176 502841595 /nfs/dbraw/zinc/84/15/95/502841595.db2.gz NEMPNGZZZJSLLJ-WNRNVDISSA-N 2 0 364.534 3.271 20 0 FGADRP O=C([C@@H]1CCC[N@@H+]1C1CCCC1)N1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000505157558 502860578 /nfs/dbraw/zinc/86/05/78/502860578.db2.gz WZUFEFSUGSDDFB-PXNSSMCTSA-N 2 0 370.541 3.332 20 0 FGADRP Cc1ccc(NC(=O)CC[C@H]2CCCC[N@@H+]2C)cc1NC(=O)CC[NH+](C)C ZINC000505234485 502874371 /nfs/dbraw/zinc/87/43/71/502874371.db2.gz XCGSFQJZEJJKSJ-GOSISDBHSA-N 2 0 374.529 3.088 20 0 FGADRP C[N@@H+](CC(=O)NC1CCCCCC1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501062241 502925777 /nfs/dbraw/zinc/92/57/77/502925777.db2.gz HZNBHOYMKXXWJH-UHFFFAOYSA-N 2 0 358.530 3.069 20 0 FGADRP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccc4c(c3)CCC(C)(C)O4)C2)CC1 ZINC000513462401 502945924 /nfs/dbraw/zinc/94/59/24/502945924.db2.gz VLWYWHGOJONVHI-HXUWFJFHSA-N 2 0 357.542 3.002 20 0 FGADRP C(C[NH+]1CCC[C@@]2(CCCOC2)C1)C[N@@H+]1CCC[C@@]2(CCCOC2)C1 ZINC000489399842 502948597 /nfs/dbraw/zinc/94/85/97/502948597.db2.gz ZGMHMTPGPJNAOX-NHCUHLMSSA-N 2 0 350.547 3.162 20 0 FGADRP C[C@@H](NC(=O)c1ccccc1OCC[NH+](C)C)[C@@H](c1ccccc1)[NH+](C)C ZINC000505632721 502954685 /nfs/dbraw/zinc/95/46/85/502954685.db2.gz JEGIVJWPLBRHNG-UTKZUKDTSA-N 2 0 369.509 3.048 20 0 FGADRP C[C@@H](NC(=O)c1ccccc1OCC[NH+](C)C)[C@H](c1ccccc1)[NH+](C)C ZINC000505632719 502954772 /nfs/dbraw/zinc/95/47/72/502954772.db2.gz JEGIVJWPLBRHNG-DYESRHJHSA-N 2 0 369.509 3.048 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cccc(Cl)c1Cl ZINC000505726498 502974135 /nfs/dbraw/zinc/97/41/35/502974135.db2.gz RTXIGTLNGWITMZ-CQSZACIVSA-N 2 0 372.340 3.482 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cccc(Cl)c1Cl ZINC000505726497 502974193 /nfs/dbraw/zinc/97/41/93/502974193.db2.gz RTXIGTLNGWITMZ-AWEZNQCLSA-N 2 0 372.340 3.482 20 0 FGADRP C[C@H](CCNC(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1)[N@H+](C)Cc1ccccc1 ZINC000489528141 502980049 /nfs/dbraw/zinc/98/00/49/502980049.db2.gz ISHULCPQKYQNJV-MISYRCLQSA-N 2 0 360.546 3.069 20 0 FGADRP COCc1ccccc1/C=C(/C)C[NH2+]C[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC000509829677 502993873 /nfs/dbraw/zinc/99/38/73/502993873.db2.gz WUWBZYAMMYNOCC-DJAVKIJBSA-N 2 0 359.558 3.098 20 0 FGADRP O[C@H](C[NH2+][C@@H]1CCCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)C(F)(F)F ZINC000513667601 502995640 /nfs/dbraw/zinc/99/56/40/502995640.db2.gz SMFQEXZLOYNPLV-XMTFNYHQSA-N 2 0 356.432 3.190 20 0 FGADRP CC(C)NC(=O)CC[NH2+][C@@H]1CCCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000513672839 502997673 /nfs/dbraw/zinc/99/76/73/502997673.db2.gz MRURYTRNUXNNCY-QHAWAJNXSA-N 2 0 357.542 3.182 20 0 FGADRP CCC[NH+]1CCC(NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000489613658 502998735 /nfs/dbraw/zinc/99/87/35/502998735.db2.gz TVZKXLMJAALQSQ-GHTZIAJQSA-N 2 0 372.557 3.071 20 0 FGADRP C/C(=C/c1ccccc1C(F)(F)F)C[NH2+][C@@H](C)CN1CC[NH+](C)CC1 ZINC000501417211 503006659 /nfs/dbraw/zinc/00/66/59/503006659.db2.gz AMVRLKGUDYBZLG-IRVMHKCDSA-N 2 0 355.448 3.334 20 0 FGADRP CCc1cc(OC)ccc1C[NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000501456273 503013807 /nfs/dbraw/zinc/01/38/07/503013807.db2.gz SRYLTFRFXFZSFF-UHFFFAOYSA-N 2 0 359.558 3.298 20 0 FGADRP CC[NH+](CC)Cc1cccc(C[NH2+]Cc2ccc3c(c2)oc(=O)n3C)c1 ZINC000509987545 503024410 /nfs/dbraw/zinc/02/44/10/503024410.db2.gz RTWOPGJJTNSOLZ-UHFFFAOYSA-N 2 0 353.466 3.263 20 0 FGADRP C[C@H](CNC(=O)Nc1cccc(OCC[NH+](C)C)c1)[N@@H+]1CCCC[C@@H]1C ZINC000501525092 503028489 /nfs/dbraw/zinc/02/84/89/503028489.db2.gz ZIQWEZPMWGYLGU-DLBZAZTESA-N 2 0 362.518 3.011 20 0 FGADRP Cc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(CC[NH+]3CCOCC3)CC2)cc1C ZINC000513817667 503029452 /nfs/dbraw/zinc/02/94/52/503029452.db2.gz MKJTUIBACQVWKF-LJQANCHMSA-N 2 0 373.541 3.065 20 0 FGADRP Clc1ccccc1OCC[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000513817617 503029953 /nfs/dbraw/zinc/02/99/53/503029953.db2.gz LMAFJEUKMUIBSX-UHFFFAOYSA-N 2 0 352.906 3.153 20 0 FGADRP CCc1ccc([C@H](CNC(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)[NH+](C)C)cc1 ZINC000489774580 503030939 /nfs/dbraw/zinc/03/09/39/503030939.db2.gz IZAIAPSLDOLFRY-ZCNNSNEGSA-N 2 0 360.546 3.024 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000489784563 503033753 /nfs/dbraw/zinc/03/37/53/503033753.db2.gz WOAFWZVKXJHKFE-GIVPXCGWSA-N 2 0 372.557 3.165 20 0 FGADRP CN(C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000489794124 503036165 /nfs/dbraw/zinc/03/61/65/503036165.db2.gz SHIYNOGLIPLBBS-HBMCJLEFSA-N 2 0 372.557 3.165 20 0 FGADRP CC(C)(C[NH2+][C@@H]1CCCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)OCCO ZINC000489795876 503037169 /nfs/dbraw/zinc/03/71/69/503037169.db2.gz KTWZETFQISVKTI-QHAWAJNXSA-N 2 0 360.542 3.054 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1)c1ccccc1 ZINC000489808568 503040062 /nfs/dbraw/zinc/04/00/62/503040062.db2.gz UKRKOWGTFANKBM-VAMGGRTRSA-N 2 0 360.546 3.242 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000489810464 503040676 /nfs/dbraw/zinc/04/06/76/503040676.db2.gz XCVAUIKKKBPMIT-HZEGPAAWSA-N 2 0 372.557 3.069 20 0 FGADRP COc1cccc(Cl)c1C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000513897510 503043634 /nfs/dbraw/zinc/04/36/34/503043634.db2.gz SAFPEPOBIZYUDR-UHFFFAOYSA-N 2 0 352.906 3.283 20 0 FGADRP CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000501601539 503046896 /nfs/dbraw/zinc/04/68/96/503046896.db2.gz KRJGRTIUPMBBBL-NRFANRHFSA-N 2 0 370.541 3.163 20 0 FGADRP CC(C)[C@H](C(=O)N(C)CC1CCN(c2cc[nH+]cc2)CC1)[NH+]1CCCCC1 ZINC000501615329 503049540 /nfs/dbraw/zinc/04/95/40/503049540.db2.gz LVNYLFBNVBOVED-OAQYLSRUSA-N 2 0 372.557 3.267 20 0 FGADRP CCC[C@H]([NH2+]C(C)C)C(=O)N(CC[NH+](C)C)Cc1ccc(F)c(F)c1 ZINC000501737547 503069257 /nfs/dbraw/zinc/06/92/57/503069257.db2.gz XIIOKZWIWFNXGL-SFHVURJKSA-N 2 0 355.473 3.022 20 0 FGADRP C[NH+](C)CCCC1CC[NH+]([C@H]2CCN(c3ccc(Cl)cc3)C2=O)CC1 ZINC000501769790 503076021 /nfs/dbraw/zinc/07/60/21/503076021.db2.gz JEOZCHFUTYITQK-IBGZPJMESA-N 2 0 363.933 3.499 20 0 FGADRP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)NCc2cccc(C[NH+](C)C)c2)C1 ZINC000514055846 503076511 /nfs/dbraw/zinc/07/65/11/503076511.db2.gz RHNLZAHSSMQZPA-QZTJIDSGSA-N 2 0 374.573 3.304 20 0 FGADRP CC(C)[C@@H](CNC(=O)N[C@H](C)C[NH+]1CCCCC1)[NH+]1CCCCCC1 ZINC000501783568 503079182 /nfs/dbraw/zinc/07/91/82/503079182.db2.gz DJLGTSSALAHJIM-RTBURBONSA-N 2 0 352.567 3.061 20 0 FGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC[C@H]1C[C@H](C)[NH+](Cc2ccccc2)C1 ZINC000510260149 503080368 /nfs/dbraw/zinc/08/03/68/503080368.db2.gz RRMPVNCOSCPJDJ-SESVDKBCSA-N 2 0 357.542 3.278 20 0 FGADRP COCc1ccccc1/C=C(/C)C[NH2+]C1CCN(C2CC[NH+](C)CC2)CC1 ZINC000510391020 503105182 /nfs/dbraw/zinc/10/51/82/503105182.db2.gz GJIDIGOHBJALEX-MNDPQUGUSA-N 2 0 371.569 3.385 20 0 FGADRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000514186299 503107939 /nfs/dbraw/zinc/10/79/39/503107939.db2.gz JMKFPPMYGZBBOK-QUCCMNQESA-N 2 0 372.557 3.071 20 0 FGADRP [NH3+][C@@H](C(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1)c1ccccc1 ZINC000498176343 503124966 /nfs/dbraw/zinc/12/49/66/503124966.db2.gz MAGJMOFCBCZHPR-OAQYLSRUSA-N 2 0 363.505 3.201 20 0 FGADRP CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)CC[N@@H+]2CCCC[C@H]2C)c1 ZINC000490715457 503217406 /nfs/dbraw/zinc/21/74/06/503217406.db2.gz XBHYHGJLZHOAAI-QGZVFWFLSA-N 2 0 374.529 3.170 20 0 FGADRP O=C([C@H]1CCC[N@H+](Cc2ccccc2)C1)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000502574459 503229654 /nfs/dbraw/zinc/22/96/54/503229654.db2.gz JOZJOXBJMXIWRC-VXKWHMMOSA-N 2 0 369.553 3.376 20 0 FGADRP O=C1C[C@H]([NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)[C@H]2CCCCN12 ZINC000510999102 503233279 /nfs/dbraw/zinc/23/32/79/503233279.db2.gz ORCXAENYSFCWGU-CSEOROSGSA-N 2 0 367.537 3.030 20 0 FGADRP C[C@@H]1C[N@H+](CCc2ccc3ccccc3c2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000490962967 503252569 /nfs/dbraw/zinc/25/25/69/503252569.db2.gz WWQPTYKXKNUUGZ-XXBNENTESA-N 2 0 351.538 3.340 20 0 FGADRP C[NH+](C)CCOc1cnccc1C[NH2+][C@@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC000515088916 503268845 /nfs/dbraw/zinc/26/88/45/503268845.db2.gz CSWYZCGASXOITN-RTWAWAEBSA-N 2 0 369.509 3.358 20 0 FGADRP CCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000498898585 503286982 /nfs/dbraw/zinc/28/69/82/503286982.db2.gz COQQLIMUEWPXCF-GIVPXCGWSA-N 2 0 372.557 3.213 20 0 FGADRP CC[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12)[C@H](O)C(F)(F)F ZINC000507510238 503311566 /nfs/dbraw/zinc/31/15/66/503311566.db2.gz MRMQYPRPESFUJT-SFFUCWETSA-N 2 0 356.432 3.188 20 0 FGADRP C[C@@H](C[NH2+]C1CCN(Cc2ccccc2Br)CC1)C[NH+](C)C ZINC000491573583 503319788 /nfs/dbraw/zinc/31/97/88/503319788.db2.gz SYPFODWSMLNJRD-HNNXBMFYSA-N 2 0 368.363 3.201 20 0 FGADRP CC[N@H+](CCNC(=O)N[C@H]1CC[NH+](Cc2ccccc2)CC1(C)C)C1CC1 ZINC000511438046 503322011 /nfs/dbraw/zinc/32/20/11/503322011.db2.gz KUWFQEQXFYDRMP-FQEVSTJZSA-N 2 0 372.557 3.071 20 0 FGADRP Cc1ccccc1[C@H]([C@H](C)NC(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1)[NH+](C)C ZINC000499093780 503332627 /nfs/dbraw/zinc/33/26/27/503332627.db2.gz MFNGLCRGLXBRIM-JPLJXNOCSA-N 2 0 360.546 3.158 20 0 FGADRP Cc1ccccc1[C@H]([NH3+])C(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000515485893 503348166 /nfs/dbraw/zinc/34/81/66/503348166.db2.gz CFQCOVJPOUYILL-NRFANRHFSA-N 2 0 351.494 3.118 20 0 FGADRP CC(C)C[C@H](CNC(=O)N1CC[NH+]2CCC1CC2)[NH2+][C@@H](C)c1ccccc1 ZINC000499196636 503353288 /nfs/dbraw/zinc/35/32/88/503353288.db2.gz WETRQPVCWHONTE-AZUAARDMSA-N 2 0 372.557 3.242 20 0 FGADRP C[NH+](C)CCOCC[NH2+]Cc1csc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000499220752 503358602 /nfs/dbraw/zinc/35/86/02/503358602.db2.gz BLEVFTUCMYBOIE-UHFFFAOYSA-N 2 0 373.444 3.497 20 0 FGADRP CC(C)[C@@H](C(=O)Nc1ccc(NC(=O)CC[NH+]2CCCCC2)cc1)[C@H](C)[NH3+] ZINC000515654028 503380920 /nfs/dbraw/zinc/38/09/20/503380920.db2.gz AYBBWKJNJVIXEG-OXJNMPFZSA-N 2 0 374.529 3.059 20 0 FGADRP CCC[N@H+](C)[C@@H](CNC(=O)N1CCC[C@H](C[NH3+])C1)c1ccc(Cl)cc1 ZINC000515811093 503406002 /nfs/dbraw/zinc/40/60/02/503406002.db2.gz OMYCLNHDIKUOBN-QAPCUYQASA-N 2 0 366.937 3.103 20 0 FGADRP CCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000511924537 503417000 /nfs/dbraw/zinc/41/70/00/503417000.db2.gz VZIWYUZFYDMIFS-ROUUACIJSA-N 2 0 366.937 3.116 20 0 FGADRP CC(C)[NH+]1CCN(c2cccc(NC(=O)[C@H](C)[NH+]3[C@@H](C)CC[C@@H]3C)c2)CC1 ZINC000508068125 503422955 /nfs/dbraw/zinc/42/29/55/503422955.db2.gz LUFQLJFZNQGIQM-FHWLQOOXSA-N 2 0 372.557 3.417 20 0 FGADRP Cc1cc([C@@H](C)[NH2+]CC2CC[NH+](CCO)CC2)sc1Br ZINC000512031532 503438539 /nfs/dbraw/zinc/43/85/39/503438539.db2.gz PVTSVBBKTYJLPO-GFCCVEGCSA-N 2 0 361.349 3.174 20 0 FGADRP CCCN(CC[NH+]1CCCCC1)C(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000493911668 503456706 /nfs/dbraw/zinc/45/67/06/503456706.db2.gz HTIAVMXOZIBMKO-IBGZPJMESA-N 2 0 352.567 3.014 20 0 FGADRP CO[C@H](c1ccccc1)[C@@H](C)[NH2+]CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000493910058 503456742 /nfs/dbraw/zinc/45/67/42/503456742.db2.gz YJLBXQAAODKZQM-OFNKIYASSA-N 2 0 367.537 3.170 20 0 FGADRP C[NH+](C)CCNC(=O)c1cccc(C[NH2+]C/C=C/c2ccc(F)c(F)c2)c1 ZINC000512137201 503466509 /nfs/dbraw/zinc/46/65/09/503466509.db2.gz UMEMNZAMCVHVBS-GQCTYLIASA-N 2 0 373.447 3.059 20 0 FGADRP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cccc(I)c2)[C@@H](C)C1 ZINC000516199878 503468575 /nfs/dbraw/zinc/46/85/75/503468575.db2.gz XSCOTVVIOLKSNP-XJKSGUPXSA-N 2 0 372.294 3.453 20 0 FGADRP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000516328653 503495391 /nfs/dbraw/zinc/49/53/91/503495391.db2.gz AXFHDHJBLCNJQH-GIVPXCGWSA-N 2 0 370.541 3.092 20 0 FGADRP O=C([C@H]1CCCC[N@@H+]1Cc1ccccc1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000608013373 506376310 /nfs/dbraw/zinc/37/63/10/506376310.db2.gz ARTOXFFNMWLPAM-NHCUHLMSSA-N 2 0 355.526 3.128 20 0 FGADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)[C@H]2CCC[NH+]2C2CC2)cc1 ZINC000494326220 503526089 /nfs/dbraw/zinc/52/60/89/503526089.db2.gz GLMMJXRNJQEAJS-LAUBAEHRSA-N 2 0 355.526 3.304 20 0 FGADRP Cc1ccccc1CCC[N@@H+](Cc1nccn1C)[C@H]1CC12CC[NH2+]CC2 ZINC000504207911 503538515 /nfs/dbraw/zinc/53/85/15/503538515.db2.gz OIYWINXXIXGMFX-FQEVSTJZSA-N 2 0 352.526 3.305 20 0 FGADRP C[C@H](Nc1ccc(N2CCOCC2)nc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508700188 503546008 /nfs/dbraw/zinc/54/60/08/503546008.db2.gz SHVUAJOZNOQXIK-ICSRJNTNSA-N 2 0 366.509 3.241 20 0 FGADRP C[C@@H]1C[C@H](CCNC(=O)N2CC[N@H+](C)CC[C@H]2C)C[NH+]1Cc1ccccc1 ZINC000512422848 503546307 /nfs/dbraw/zinc/54/63/07/503546307.db2.gz BEGCAIAJHJZCPF-SBHAEUEKSA-N 2 0 372.557 3.023 20 0 FGADRP C[C@@H]([NH2+]CC(C)(C)N1C[C@@H](C)O[C@H](C)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508702655 503547337 /nfs/dbraw/zinc/54/73/37/503547337.db2.gz WEPCCNRESVAODB-NXLVEIQXSA-N 2 0 373.585 3.374 20 0 FGADRP CC[NH+](CC)Cc1cccc(CNC(=O)N2CC[NH+](C3CCCC3)CC2)c1 ZINC000500096776 503552842 /nfs/dbraw/zinc/55/28/42/503552842.db2.gz FIWDFLQQYLLHIF-UHFFFAOYSA-N 2 0 372.557 3.298 20 0 FGADRP Cc1ccc2c(CC(=O)Nc3c[nH+]ccc3N3CCN(C)CC3)coc2c1 ZINC000516623875 503552891 /nfs/dbraw/zinc/55/28/91/503552891.db2.gz QHPCWMKZOZBKFB-UHFFFAOYSA-N 2 0 364.449 3.069 20 0 FGADRP CC[C@@H](C)[NH2+][C@H](CNC(=O)NC1CCC(C[NH+](C)C)CC1)c1ccco1 ZINC000500097410 503553162 /nfs/dbraw/zinc/55/31/62/503553162.db2.gz JKBGGSVRPRZURN-AQEOSJORSA-N 2 0 364.534 3.128 20 0 FGADRP CCCN(CC[NH+]1CCCC1)C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000512444551 503553204 /nfs/dbraw/zinc/55/32/04/503553204.db2.gz PVGFUFQEGVNYNR-QFIPXVFZSA-N 2 0 359.558 3.085 20 0 FGADRP C[C@H]1[C@H](NC(=O)NC2CCC(C[NH+](C)C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000500113460 503557064 /nfs/dbraw/zinc/55/70/64/503557064.db2.gz VCFVUVWWBDYDBC-VWEINGBSSA-N 2 0 372.557 3.069 20 0 FGADRP CC1(C)Cc2cc(C[NH+]3CCC(CC[NH+]4CCOCC4)CC3)ccc2O1 ZINC000512457449 503558092 /nfs/dbraw/zinc/55/80/92/503558092.db2.gz STPNMBXJDHPLSO-UHFFFAOYSA-N 2 0 358.526 3.334 20 0 FGADRP Cc1cccc(N2CC[NH+](CCCC[NH2+]Cc3cncc(F)c3)CC2)c1 ZINC000494558747 503564286 /nfs/dbraw/zinc/56/42/86/503564286.db2.gz ASKDYJSQWDCEJW-UHFFFAOYSA-N 2 0 356.489 3.221 20 0 FGADRP CC1CC[NH+](Cc2ccc(CNC(=O)[C@H]3CCC[N@@H+]3C3CC3)cc2)CC1 ZINC000494601110 503572384 /nfs/dbraw/zinc/57/23/84/503572384.db2.gz JOKXBYLCFCAWKB-OAQYLSRUSA-N 2 0 355.526 3.162 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@H](C)[C@H](c2ccccc2)[NH+](C)C)C[C@H]1C ZINC000508849431 503576601 /nfs/dbraw/zinc/57/66/01/503576601.db2.gz BTTUVBLZRJOGQG-IZBJGVDFSA-N 2 0 360.546 3.192 20 0 FGADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2conc2Cc2ccccc2)C1 ZINC000508862154 503581670 /nfs/dbraw/zinc/58/16/70/503581670.db2.gz WATHXBTUJSXDNK-HXUWFJFHSA-N 2 0 357.498 3.198 20 0 FGADRP Cc1ccccc1[C@H]([C@H](C)NC(=O)NCC1(C)CC[NH+](C)CC1)[NH+](C)C ZINC000508891136 503590049 /nfs/dbraw/zinc/59/00/49/503590049.db2.gz ARUIOSUCCZJVOE-HKUYNNGSSA-N 2 0 360.546 3.017 20 0 FGADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCOc2ccccc2Br)[C@@H](C)C1 ZINC000508890670 503590235 /nfs/dbraw/zinc/59/02/35/503590235.db2.gz KCFWNYCJODIBAD-GOEBONIOSA-N 2 0 355.320 3.490 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)CC[C@@H]1CCC[NH2+]1)c1ccccc1Cl ZINC000494681028 503590525 /nfs/dbraw/zinc/59/05/25/503590525.db2.gz JUPNHTVVHBDNJL-YJBOKZPZSA-N 2 0 351.922 3.371 20 0 FGADRP CC[NH+](CC)[C@@H]1CCN(C(=O)N[C@@H](C)[C@@H](c2ccccc2C)[NH+](C)C)C1 ZINC000508896890 503593123 /nfs/dbraw/zinc/59/31/23/503593123.db2.gz MXHJLNZTQSYYCW-NSHGMRRFSA-N 2 0 360.546 3.112 20 0 FGADRP CC[NH+](CC)[C@@H]1CCN(C(=O)N[C@@H](C)[C@H](c2ccccc2C)[NH+](C)C)C1 ZINC000508896492 503593585 /nfs/dbraw/zinc/59/35/85/503593585.db2.gz MXHJLNZTQSYYCW-NLWGTHIKSA-N 2 0 360.546 3.112 20 0 FGADRP COc1cc(C[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)ccn1 ZINC000512614155 503595214 /nfs/dbraw/zinc/59/52/14/503595214.db2.gz UYHJVGNOFFZHKM-QHAWAJNXSA-N 2 0 351.494 3.481 20 0 FGADRP C[C@H](NC(=O)N1CCC[C@H]1C[NH+]1CCCCC1)[C@@H](c1ccccc1)[NH+](C)C ZINC000508904939 503596477 /nfs/dbraw/zinc/59/64/77/503596477.db2.gz JFFCHSNOMKDSGC-JBACZVJFSA-N 2 0 372.557 3.338 20 0 FGADRP Cc1c2ccccc2oc1[C@H](C)[NH2+]CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000516853645 503600406 /nfs/dbraw/zinc/60/04/06/503600406.db2.gz PLGOWSLUZNFGMX-INIZCTEOSA-N 2 0 357.498 3.381 20 0 FGADRP CC1CC[NH+](Cc2ccccc2CNC(=O)N2CCC[C@H](CC[NH3+])C2)CC1 ZINC000516856789 503601610 /nfs/dbraw/zinc/60/16/10/503601610.db2.gz KOCYDXVKCZWKPW-LJQANCHMSA-N 2 0 372.557 3.189 20 0 FGADRP C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000512642491 503601863 /nfs/dbraw/zinc/60/18/63/503601863.db2.gz QDXYFIFXHXBJQO-YKGPHTRDSA-N 2 0 353.554 3.359 20 0 FGADRP C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000516860850 503602728 /nfs/dbraw/zinc/60/27/28/503602728.db2.gz SCRGJYSYBDUBFG-HXUWFJFHSA-N 2 0 372.557 3.071 20 0 FGADRP CCc1cc(OC)ccc1C[NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000500439236 503625760 /nfs/dbraw/zinc/62/57/60/503625760.db2.gz INCPOYCEVYVKHW-OAQYLSRUSA-N 2 0 354.494 3.114 20 0 FGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]C[C@@H](O)C(C)(C)C)CC1 ZINC000516960963 503632103 /nfs/dbraw/zinc/63/21/03/503632103.db2.gz IKHJVYIRLDGOGK-HNAYVOBHSA-N 2 0 351.510 3.025 20 0 FGADRP [NH3+]Cc1cn([C@H]2CCCN(Cc3cnc(C4CCCCC4)s3)C2)nn1 ZINC000517093001 503665912 /nfs/dbraw/zinc/66/59/12/503665912.db2.gz NTXRKFBGYYCXAF-INIZCTEOSA-N 2 0 360.531 3.078 20 0 FGADRP O=C(NC[C@H]1CC[N@@H+]1C1CCCCC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000529719656 503679083 /nfs/dbraw/zinc/67/90/83/503679083.db2.gz NWELTCUUFSGFAQ-JOCHJYFZSA-N 2 0 369.553 3.422 20 0 FGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC2CCN(c3cc[nH+]cc3)CC2)[C@H](C)C1 ZINC000540137805 503685162 /nfs/dbraw/zinc/68/51/62/503685162.db2.gz RDPOVVOIZXUWED-DENIHFKCSA-N 2 0 374.573 3.025 20 0 FGADRP CC[C@@H](O)[C@H]1CCCC[NH+]1CCCCC[N@H+]1CCCC[C@H]1[C@@H](O)CC ZINC000532990408 503691734 /nfs/dbraw/zinc/69/17/34/503691734.db2.gz CVHNEGVOJJPVBD-FXELSEDVSA-N 2 0 354.579 3.408 20 0 FGADRP COc1ccccc1[C@@H](CO)[NH2+][C@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000540181883 503699877 /nfs/dbraw/zinc/69/98/77/503699877.db2.gz HUGSFXSENBBBIS-OXQOHEQNSA-N 2 0 358.482 3.020 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccccc2-n2cccn2)[C@@H](C)C1 ZINC000536827532 503733800 /nfs/dbraw/zinc/73/38/00/503733800.db2.gz PKAMZAHIRJPZKK-ICSRJNTNSA-N 2 0 356.514 3.099 20 0 FGADRP CC(C)[N@H+](C)CC1CC[NH+](CC(=O)N[C@@H]2CCCc3ccccc32)CC1 ZINC000533408103 503835034 /nfs/dbraw/zinc/83/50/34/503835034.db2.gz MDGXRCCXWKUBSE-OAQYLSRUSA-N 2 0 357.542 3.232 20 0 FGADRP C[NH+]1CCC2(CC1)C[C@H]([NH2+]CCOCC(F)(F)F)c1ccccc1O2 ZINC000537192954 503835945 /nfs/dbraw/zinc/83/59/45/503835945.db2.gz IGIYEBLYGFVKBS-HNNXBMFYSA-N 2 0 358.404 3.143 20 0 FGADRP CCC(CC)[C@@H](CNC(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1)[NH+]1CCCC1 ZINC000543645185 503840106 /nfs/dbraw/zinc/84/01/06/503840106.db2.gz ZINWNQJSCNBUFC-FXAWDEMLSA-N 2 0 366.594 3.259 20 0 FGADRP C[C@H]([NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1)c1cccc(F)c1F ZINC000540644752 503842961 /nfs/dbraw/zinc/84/29/61/503842961.db2.gz RNBDZNYPEWIMLR-INIZCTEOSA-N 2 0 360.452 3.223 20 0 FGADRP CC(C)[C@H]1C[C@@H]([NH2+]CCCC[NH+]2CCN(Cc3ccccc3)CC2)CCO1 ZINC000540707154 503862721 /nfs/dbraw/zinc/86/27/21/503862721.db2.gz PZUARTGCGUFUCL-XZOQPEGZSA-N 2 0 373.585 3.378 20 0 FGADRP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)CCN(C)c2cc[nH+]cc2)CC1 ZINC000543713128 503862694 /nfs/dbraw/zinc/86/26/94/503862694.db2.gz GZAYSSPJMVRKHL-SFHVURJKSA-N 2 0 366.509 3.250 20 0 FGADRP CN(CCC(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1)c1cc[nH+]cc1 ZINC000543714696 503864152 /nfs/dbraw/zinc/86/41/52/503864152.db2.gz BDGXOGHEYFYBGA-UHFFFAOYSA-N 2 0 366.509 3.031 20 0 FGADRP COc1cccc([C@H](C[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)OC)c1 ZINC000530213111 503879285 /nfs/dbraw/zinc/87/92/85/503879285.db2.gz VCMQRKMQZIRMKB-BAGYTPMASA-N 2 0 368.477 3.228 20 0 FGADRP O=C(C[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1)Nc1ccc(Cl)c(F)c1 ZINC000530221536 503882265 /nfs/dbraw/zinc/88/22/65/503882265.db2.gz GEDXJXKGXMHENA-AWEZNQCLSA-N 2 0 353.869 3.129 20 0 FGADRP COc1cccc([C@@H]2C[N@H+](C[C@H](O)[C@@H]([NH3+])Cc3ccccc3)CC2(C)C)c1 ZINC000530231701 503885076 /nfs/dbraw/zinc/88/50/76/503885076.db2.gz SUDYMVRAUKJDLD-FKBYEOEOSA-N 2 0 368.521 3.052 20 0 FGADRP Fc1ccc(Br)cc1CN1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530239233 503887969 /nfs/dbraw/zinc/88/79/69/503887969.db2.gz FSEFEFHMIQLRMO-MRXNPFEDSA-N 2 0 371.294 3.179 20 0 FGADRP FC(F)(F)Oc1ccc(C[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000530242430 503890393 /nfs/dbraw/zinc/89/03/93/503890393.db2.gz SCTPATDYLPCRHV-QGZVFWFLSA-N 2 0 358.404 3.176 20 0 FGADRP Clc1cc(Cl)cc(OCC[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)c1 ZINC000530241793 503890777 /nfs/dbraw/zinc/89/07/77/503890777.db2.gz RKHWNMUOJMBTSL-KRWDZBQOSA-N 2 0 373.324 3.463 20 0 FGADRP c1nc(C[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)sc1-c1ccccc1 ZINC000530247928 503893497 /nfs/dbraw/zinc/89/34/97/503893497.db2.gz DNYOPMJDMREPNO-SFHVURJKSA-N 2 0 357.523 3.401 20 0 FGADRP Cc1cc(C[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)cc(C)c1OC(F)F ZINC000530248296 503894482 /nfs/dbraw/zinc/89/44/82/503894482.db2.gz IHAPCEQZGOOLEF-SFHVURJKSA-N 2 0 368.468 3.495 20 0 FGADRP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)C1 ZINC000518067823 503902432 /nfs/dbraw/zinc/90/24/32/503902432.db2.gz DKWYBOLPCCIGFN-GUDVDZBRSA-N 2 0 364.578 3.013 20 0 FGADRP C[C@@H](C[NH+]1CCC[C@@H]1C1CCOCC1)C[N@@H+]1CCC[C@H]1C1CCOCC1 ZINC000540827013 503906880 /nfs/dbraw/zinc/90/68/80/503906880.db2.gz QGVSQJSBMDTELV-FJPGZJACSA-N 2 0 364.574 3.405 20 0 FGADRP O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000518094712 503907128 /nfs/dbraw/zinc/90/71/28/503907128.db2.gz UQRZKPKPKHYAPS-NHCUHLMSSA-N 2 0 370.541 3.093 20 0 FGADRP Cc1cccc(C)c1[C@H](C)NC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000546915714 503925835 /nfs/dbraw/zinc/92/58/35/503925835.db2.gz WGYPKPIPMCMODT-IBGZPJMESA-N 2 0 362.562 3.279 20 0 FGADRP COc1ccc([C@H](C)[NH2+]Cc2cn(-c3cc[nH+]cc3)nc2C)c(OC)c1 ZINC000527780429 503940856 /nfs/dbraw/zinc/94/08/56/503940856.db2.gz QOQWUSFFLLZYSB-HNNXBMFYSA-N 2 0 352.438 3.444 20 0 FGADRP C[C@@H](CNC(=O)NC[C@H]1CCC[N@@H+]1CC1CCCCC1)C[NH+]1CCCC1 ZINC000518296864 503946810 /nfs/dbraw/zinc/94/68/10/503946810.db2.gz CNKJQPRGPINILT-AZUAARDMSA-N 2 0 364.578 3.062 20 0 FGADRP COc1ccc([C@@H]([NH2+]CCCC[NH+]2CCN(C)CC2)c2ccccc2)cc1 ZINC000537607064 503971284 /nfs/dbraw/zinc/97/12/84/503971284.db2.gz MGMUVELIJYMYTR-QHCPKHFHSA-N 2 0 367.537 3.402 20 0 FGADRP CC(C)[C@@H](C[NH2+][C@H](C)c1cc(-c2ccccc2)n(C)n1)N1CC[NH+](C)CC1 ZINC000527854138 503974044 /nfs/dbraw/zinc/97/40/44/503974044.db2.gz WUPXWWIPMBVOAW-XMSQKQJNSA-N 2 0 369.557 3.010 20 0 FGADRP CC[C@H](CCc1ccccc1)[NH2+]Cc1cccnc1N1CC[NH+](C)CC1 ZINC000527856181 503974798 /nfs/dbraw/zinc/97/47/98/503974798.db2.gz XESMYJRUDGNWOQ-OAQYLSRUSA-N 2 0 352.526 3.334 20 0 FGADRP CN(C)c1ccccc1C[N@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000537622810 503980550 /nfs/dbraw/zinc/98/05/50/503980550.db2.gz LYUDFYIHLIFOPS-UHFFFAOYSA-N 2 0 372.601 3.381 20 0 FGADRP COc1ccc(C[NH+]2CCC(OCC[NH+](C)C)CC2)cc1OCC(C)C ZINC000537630159 503982890 /nfs/dbraw/zinc/98/28/90/503982890.db2.gz IPSDSVZKSXEXRF-UHFFFAOYSA-N 2 0 364.530 3.273 20 0 FGADRP Cc1ccsc1C[NH+]1CCN(c2ccccc2OCC[NH+](C)C)CC1 ZINC000537631317 503985535 /nfs/dbraw/zinc/98/55/35/503985535.db2.gz KFYQBMRGPSVDMN-UHFFFAOYSA-N 2 0 359.539 3.319 20 0 FGADRP CCC[NH+]1CCN(c2ccccc2CN2CC[C@@H](C[NH+](CC)CC)C2)CC1 ZINC000537647408 503990936 /nfs/dbraw/zinc/99/09/36/503990936.db2.gz LAWBKTUKQZZPBU-NRFANRHFSA-N 2 0 372.601 3.382 20 0 FGADRP CCOc1cccc(C[NH+]2CCC(CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)n1 ZINC000537658912 503993970 /nfs/dbraw/zinc/99/39/70/503993970.db2.gz CNBOKXLBPORYFQ-HDICACEKSA-N 2 0 361.530 3.192 20 0 FGADRP CC[NH+](CC)CCOC1CC[NH+](Cc2cc(-c3ccccc3)n[nH]2)CC1 ZINC000537662179 503995791 /nfs/dbraw/zinc/99/57/91/503995791.db2.gz YAFJAQIIXSTVAZ-UHFFFAOYSA-N 2 0 356.514 3.400 20 0 FGADRP C[C@@H]1C[N@@H+](CC2CC[NH+](C[C@H]3CCC4(CCCC4)O3)CC2)C[C@H](C)O1 ZINC000530516659 503995967 /nfs/dbraw/zinc/99/59/67/503995967.db2.gz GXGORJJQGOZYRO-WSTZPKSXSA-N 2 0 350.547 3.299 20 0 FGADRP COCc1cccc(OCC2(C[N@@H+]3CC[C@H](C[NH+]4CCCC4)C3)CC2)c1 ZINC000537680158 504003076 /nfs/dbraw/zinc/00/30/76/504003076.db2.gz HCIWZVXDANAVFW-HXUWFJFHSA-N 2 0 358.526 3.410 20 0 FGADRP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]CCOc2ccccc2)CC1 ZINC000537747159 504026089 /nfs/dbraw/zinc/02/60/89/504026089.db2.gz AXKUYAWDMBINEZ-UHFFFAOYSA-N 2 0 359.901 3.260 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)N1CC[C@H]([NH+]2CCCCC2)C1)c1ccccc1 ZINC000518612076 504027398 /nfs/dbraw/zinc/02/73/98/504027398.db2.gz XDKZIKXXMYDSSW-SFTDATJTSA-N 2 0 372.557 3.339 20 0 FGADRP COc1ccc(CC[NH2+]C2CC[NH+]([C@H](C)Cc3ccccc3)CC2)cn1 ZINC000527990215 504028885 /nfs/dbraw/zinc/02/88/85/504028885.db2.gz LKBHBSKARZEOHS-GOSISDBHSA-N 2 0 353.510 3.318 20 0 FGADRP O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000518628881 504031728 /nfs/dbraw/zinc/03/17/28/504031728.db2.gz QXOFSIHDLVKAOI-RBUKOAKNSA-N 2 0 374.529 3.076 20 0 FGADRP C[C@@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2)C1CCOCC1 ZINC000518784204 504063218 /nfs/dbraw/zinc/06/32/18/504063218.db2.gz URRHRNFUGUJJTF-DENIHFKCSA-N 2 0 372.553 3.320 20 0 FGADRP CCC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)NC[C@@H]1CC[NH+](C2CC2)C1 ZINC000528112369 504076218 /nfs/dbraw/zinc/07/62/18/504076218.db2.gz FZEHVGFUILKWKU-TUNNFDKTSA-N 2 0 369.553 3.135 20 0 FGADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H](CO)Cc2ccc(C(F)(F)F)cc2)[C@@H](C)C1 ZINC000537963110 504096947 /nfs/dbraw/zinc/09/69/47/504096947.db2.gz ZATUDMDDWNQHHQ-ZVZYQTTQSA-N 2 0 358.448 3.176 20 0 FGADRP C[C@H](OC[C@@H](O)C[NH2+]CC1CC[NH+](C2CC2)CC1)c1ccc(Cl)cc1 ZINC000518966140 504105173 /nfs/dbraw/zinc/10/51/73/504105173.db2.gz DKCLVOSJPBCWLA-YWZLYKJASA-N 2 0 366.933 3.243 20 0 FGADRP C[C@H]1CCCC[C@H]1C[NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000544370498 504106103 /nfs/dbraw/zinc/10/61/03/504106103.db2.gz FVHVDRAEOOPVHT-RXVVDRJESA-N 2 0 357.542 3.428 20 0 FGADRP CCN(C[C@H]1CCC[N@@H+]1CC)C(=O)c1oc2ccccc2c1C[NH+](C)C ZINC000547475688 504119526 /nfs/dbraw/zinc/11/95/26/504119526.db2.gz QFKWELXWVZINKF-MRXNPFEDSA-N 2 0 357.498 3.441 20 0 FGADRP O=C(NC[C@H]1CC[N@@H+]1C1CCCC1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000528284343 504146288 /nfs/dbraw/zinc/14/62/88/504146288.db2.gz AYZBRZHMUFSQCV-HXUWFJFHSA-N 2 0 362.562 3.100 20 0 FGADRP CC(C)CC[NH+]1CCC(CNC(=O)NC[C@@H]2CC[N@@H+]2C2CCCC2)CC1 ZINC000528287202 504148924 /nfs/dbraw/zinc/14/89/24/504148924.db2.gz IJTIQBZSPFYWLZ-FQEVSTJZSA-N 2 0 364.578 3.061 20 0 FGADRP Clc1cccc(-c2noc(CC[NH2+]C3CC[NH+](CC4CC4)CC3)n2)c1 ZINC000538159092 504149577 /nfs/dbraw/zinc/14/95/77/504149577.db2.gz KJBVQAWMCSIXHN-UHFFFAOYSA-N 2 0 360.889 3.397 20 0 FGADRP Cc1cnc([C@H](C)[NH2+]CCOCC[NH2+][C@@H](C)c2ncc(C)s2)s1 ZINC000544514593 504158500 /nfs/dbraw/zinc/15/85/00/504158500.db2.gz KTNKBUFCJSYGBA-KBPBESRZSA-N 2 0 354.545 3.234 20 0 FGADRP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@H+]3CC[C@H](C(C)C)C3)CC2)cc1 ZINC000538353254 504218122 /nfs/dbraw/zinc/21/81/22/504218122.db2.gz GGJNEKJGNUQQEZ-NRFANRHFSA-N 2 0 357.542 3.007 20 0 FGADRP COC[C@@H](C)C[NH2+]CCCN1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000519519305 504237310 /nfs/dbraw/zinc/23/73/10/504237310.db2.gz QNYAVRQJEJYVMU-INIZCTEOSA-N 2 0 373.463 3.090 20 0 FGADRP CC(C)[NH+]1CCC(O)(C[NH2+]Cc2csc(-c3ccc(F)cc3)n2)CC1 ZINC000538413658 504240493 /nfs/dbraw/zinc/24/04/93/504240493.db2.gz BHJFKSNLSDAEMC-UHFFFAOYSA-N 2 0 363.502 3.274 20 0 FGADRP C[C@@H]1CCC[N@H+](Cc2ccccc2C[NH2+][C@H](Cc2ccccc2)C(N)=O)C1 ZINC000541800317 504257965 /nfs/dbraw/zinc/25/79/65/504257965.db2.gz WUPGOEHIUKIQBD-XMSQKQJNSA-N 2 0 365.521 3.105 20 0 FGADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC[C@H](CC(=O)NCc2ccc(F)cc2)C1 ZINC000519600744 504269608 /nfs/dbraw/zinc/26/96/08/504269608.db2.gz PPFMTCCLKOTYNL-QUCCMNQESA-N 2 0 361.505 3.028 20 0 FGADRP Cc1ccc(C[N@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)C(C)(C)C)cc1 ZINC000528596576 504289167 /nfs/dbraw/zinc/28/91/67/504289167.db2.gz YVTBFCWHWOMLJN-UHFFFAOYSA-N 2 0 357.542 3.339 20 0 FGADRP CC[C@@H](C)NC(=O)[C@@H](C)[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000534963660 504294839 /nfs/dbraw/zinc/29/48/39/504294839.db2.gz HJBXEFYZXFJICY-RTBURBONSA-N 2 0 357.542 3.278 20 0 FGADRP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(-n2cncn2)c(F)c1 ZINC000531430213 504303919 /nfs/dbraw/zinc/30/39/19/504303919.db2.gz BZBUKKRKFDPCHR-PKOBYXMFSA-N 2 0 359.493 3.397 20 0 FGADRP C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+][C@H]1CCN(C2CC2)C1 ZINC000531702582 504396893 /nfs/dbraw/zinc/39/68/93/504396893.db2.gz BNSBROXOBBCERZ-OCCSQVGLSA-N 2 0 371.403 3.129 20 0 FGADRP O=C(NCc1ccn2ccnc2c1)[C@@H]1CCCN1Cc1ccc(Cl)cc1 ZINC000528834815 504406171 /nfs/dbraw/zinc/40/61/71/504406171.db2.gz NEZIGPPBNFSPHF-SFHVURJKSA-N 2 0 368.868 3.269 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCOc2ccc(F)cc2F)[C@H](C)C1 ZINC000531738240 504408501 /nfs/dbraw/zinc/40/85/01/504408501.db2.gz BJHLGTQCLLMNSI-QAPCUYQASA-N 2 0 356.457 3.070 20 0 FGADRP COc1ccc(-c2ccccc2)cc1C[NH2+]C[C@H](C)N1CC[NH+](C)CC1 ZINC000531789099 504424709 /nfs/dbraw/zinc/42/47/09/504424709.db2.gz KDPSYYKWUWLZLQ-SFHVURJKSA-N 2 0 353.510 3.088 20 0 FGADRP CC[C@H](C)[N@H+](C)CCNC(=O)NC[C@@H]1CCC[NH+]1CC1CCCCC1 ZINC000520242379 504444229 /nfs/dbraw/zinc/44/42/29/504444229.db2.gz LDBWXVXNMDBQRJ-HKUYNNGSSA-N 2 0 352.567 3.061 20 0 FGADRP COCCOc1ccc(C[NH2+][C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000548483918 504462777 /nfs/dbraw/zinc/46/27/77/504462777.db2.gz BAKZPPIXDRRGOB-GHTZIAJQSA-N 2 0 369.509 3.107 20 0 FGADRP Cc1ccc(Br)cc1NC(=O)CC[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000539079146 504466265 /nfs/dbraw/zinc/46/62/65/504466265.db2.gz JBSITVWKCCKCQY-UKRRQHHQSA-N 2 0 368.319 3.016 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1cccc2cc[nH]c21 ZINC000548507108 504471027 /nfs/dbraw/zinc/47/10/27/504471027.db2.gz STOVQALGIJYSII-QGZVFWFLSA-N 2 0 357.502 3.048 20 0 FGADRP C[C@H]1CCCCN1C(=O)C[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000535681154 504506344 /nfs/dbraw/zinc/50/63/44/504506344.db2.gz OTOQVJMEMTVKIQ-FQEVSTJZSA-N 2 0 369.553 3.376 20 0 FGADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]C[C@]1(O)CCC[C@H](C(F)(F)F)C1 ZINC000548691548 504528848 /nfs/dbraw/zinc/52/88/48/504528848.db2.gz OWJUWEJWEBYCPR-RDJZCZTQSA-N 2 0 368.403 3.149 20 0 FGADRP CC[NH+]1CCC(n2nccc2NC(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC000548715159 504538242 /nfs/dbraw/zinc/53/82/42/504538242.db2.gz WKWLGEQHLJFOLH-UHFFFAOYSA-N 2 0 361.534 3.133 20 0 FGADRP C[NH+](C)[C@H]1CCc2cc(NC(=O)NC[C@H]3CC[N@@H+]3C3CCCC3)ccc21 ZINC000529116503 504540797 /nfs/dbraw/zinc/54/07/97/504540797.db2.gz YJIOQESWUMZJTF-QUCCMNQESA-N 2 0 356.514 3.374 20 0 FGADRP C[N@H+](CCNC(=O)C1CC[NH+](Cc2ccccc2)CC1)C1CCCCC1 ZINC000520622069 504542910 /nfs/dbraw/zinc/54/29/10/504542910.db2.gz SCTICMKNSFQRNT-UHFFFAOYSA-N 2 0 357.542 3.279 20 0 FGADRP C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000548739709 504548013 /nfs/dbraw/zinc/54/80/13/504548013.db2.gz DYQXDDDUIKYPBD-GUDVDZBRSA-N 2 0 357.542 3.379 20 0 FGADRP CC[C@@H]([NH2+][C@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1)C1CCOCC1 ZINC000532215064 504575482 /nfs/dbraw/zinc/57/54/82/504575482.db2.gz KAUNIKXBPOTTGN-OXQOHEQNSA-N 2 0 363.521 3.433 20 0 FGADRP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000520782530 504580849 /nfs/dbraw/zinc/58/08/49/504580849.db2.gz SVTUTAUASGLRNM-SBHAEUEKSA-N 2 0 372.557 3.386 20 0 FGADRP CCCC[N@H+](C)CC1CC[NH+]([C@H](C)C(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000520794947 504584274 /nfs/dbraw/zinc/58/42/74/504584274.db2.gz MGRWWJARXIMDHM-GUDVDZBRSA-N 2 0 351.579 3.323 20 0 FGADRP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000529284148 504619272 /nfs/dbraw/zinc/61/92/72/504619272.db2.gz CROSVSITDKYWBH-FXAWDEMLSA-N 2 0 370.541 3.145 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)N[C@@H]2CC[NH+](C)[C@H]2c2ccccc2)C1 ZINC000536100490 504634077 /nfs/dbraw/zinc/63/40/77/504634077.db2.gz VLZWVIKUPROHPL-JYRKZWEQSA-N 2 0 372.557 3.099 20 0 FGADRP C[N@H+](CCCNC(=O)N[C@H]1CC[NH+](C)[C@H]1c1ccccc1)C1CCCCC1 ZINC000536170750 504656452 /nfs/dbraw/zinc/65/64/52/504656452.db2.gz GUSIMWBNAULPDV-SFTDATJTSA-N 2 0 372.557 3.386 20 0 FGADRP CC1(C)CCC[C@@H]([NH2+]Cc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)C1 ZINC000532616067 504711686 /nfs/dbraw/zinc/71/16/86/504711686.db2.gz RDXQWBGXIHEISH-WOJBJXKFSA-N 2 0 357.542 3.442 20 0 FGADRP C[C@H]1C[NH+](CCC2CC[NH+](Cc3cccc4c3OCCO4)CC2)C[C@H](C)O1 ZINC000539861313 504720557 /nfs/dbraw/zinc/72/05/57/504720557.db2.gz KAIJTWXIHHXAQT-ROUUACIJSA-N 2 0 374.525 3.169 20 0 FGADRP CC(C)[NH+]1CCC(N[C@@H](CCO)c2ccccc2Br)CC1 ZINC000543110908 504729391 /nfs/dbraw/zinc/72/93/91/504729391.db2.gz KPNWOJPCEOJJCJ-KRWDZBQOSA-N 2 0 355.320 3.335 20 0 FGADRP CC(C)CC[C@@H]([NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1)C1CC1 ZINC000549229359 504731871 /nfs/dbraw/zinc/73/18/71/504731871.db2.gz ZGKKMRIQEKIEGG-LJQANCHMSA-N 2 0 351.579 3.418 20 0 FGADRP CCC[NH+]1CCN(c2ccccc2C[N@@H+]2CCC[C@H]3COCC[C@@H]32)CC1 ZINC000539890772 504731989 /nfs/dbraw/zinc/73/19/89/504731989.db2.gz MMINEEQLQZNTHB-UNMCSNQZSA-N 2 0 357.542 3.220 20 0 FGADRP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2Cc1cccc(-c2ccncc2)c1 ZINC000539895578 504732723 /nfs/dbraw/zinc/73/27/23/504732723.db2.gz FBWWEMAMNUSEFI-BHIFYINESA-N 2 0 351.494 3.432 20 0 FGADRP CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)N1CCC(C[NH+](C)C(C)C)CC1 ZINC000532696951 504738017 /nfs/dbraw/zinc/73/80/17/504738017.db2.gz ULUWTGVBHNOUCN-FQEVSTJZSA-N 2 0 366.594 3.259 20 0 FGADRP C[C@H]1CCCC[N@@H+]1CCCNC(=O)C[C@H](c1ncc[nH]1)c1ccccc1 ZINC000552866923 504777774 /nfs/dbraw/zinc/77/77/74/504777774.db2.gz YHNUGCATNJPABH-HKUYNNGSSA-N 2 0 354.498 3.312 20 0 FGADRP COc1cccc(NC(=O)[C@@H](c2ccccc2)[N@@H+]2CCC[C@@H](CC[NH3+])C2)c1 ZINC000565303536 504849128 /nfs/dbraw/zinc/84/91/28/504849128.db2.gz RSYUFBZORHCIGN-LAUBAEHRSA-N 2 0 367.493 3.436 20 0 FGADRP CCN(CCC[NH+](C)C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000549590457 504856081 /nfs/dbraw/zinc/85/60/81/504856081.db2.gz HMOUFKPKUMRWJR-HXUWFJFHSA-N 2 0 374.573 3.270 20 0 FGADRP CC(C[NH+]1CCC[C@](CO)(C(C)C)C1)C[N@@H+]1CCC[C@](CO)(C(C)C)C1 ZINC000559424517 504859350 /nfs/dbraw/zinc/85/93/50/504859350.db2.gz IXUIAZMPPRXKHY-VXKWHMMOSA-N 2 0 368.606 3.084 20 0 FGADRP C[C@@H]1C[C@H](NC(=O)NCC(C)(C)[N@@H+]2CCc3ccccc3C2)c2nccn21 ZINC000562585395 504868877 /nfs/dbraw/zinc/86/88/77/504868877.db2.gz RRBNZJHIRGEMFM-QAPCUYQASA-N 2 0 367.497 3.025 20 0 FGADRP C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000553448643 504917643 /nfs/dbraw/zinc/91/76/43/504917643.db2.gz JADDPRZASXKQJB-IYWMVGAKSA-N 2 0 364.578 3.013 20 0 FGADRP Cc1ncccc1C[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000549881840 504924093 /nfs/dbraw/zinc/92/40/93/504924093.db2.gz AJBQZJUGUFUXME-QFIPXVFZSA-N 2 0 365.521 3.408 20 0 FGADRP Cc1cc(C)c(C[NH2+]CCCN2CCN(c3cc[nH+]cc3)CC2)cc1C ZINC000559876742 504942214 /nfs/dbraw/zinc/94/22/14/504942214.db2.gz CAJUWAIGMBQCTN-UHFFFAOYSA-N 2 0 352.526 3.309 20 0 FGADRP COc1ccc([C@@H](Cc2ccccc2)[NH2+]C[C@@H](C)N2CC[NH+](C)CC2)cc1 ZINC000565690177 504959032 /nfs/dbraw/zinc/95/90/32/504959032.db2.gz RGNUNHCTSOVMMF-AUSIDOKSSA-N 2 0 367.537 3.205 20 0 FGADRP C[NH+](C)CCN(CC[NH+](C)C)Cc1cnc(-c2ccc(Cl)cc2)s1 ZINC000562905287 504981996 /nfs/dbraw/zinc/98/19/96/504981996.db2.gz OTMJOIKRBKWQKL-UHFFFAOYSA-N 2 0 366.962 3.389 20 0 FGADRP CC(C)[N@H+](C)CC1CC[NH+](CCCN2CCN(c3ccccc3)CC2)CC1 ZINC000556813530 504982282 /nfs/dbraw/zinc/98/22/82/504982282.db2.gz NTDVPGXXAGWRLI-UHFFFAOYSA-N 2 0 372.601 3.251 20 0 FGADRP C[C@H]([NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1-n1ccnn1 ZINC000556877591 505003841 /nfs/dbraw/zinc/00/38/41/505003841.db2.gz HNROKGJRKKYUAU-ICSRJNTNSA-N 2 0 361.493 3.440 20 0 FGADRP C[C@@H](CNC(=O)N(C)CCC[N@H+](C)Cc1ccco1)[NH+]1CCCC[C@H]1C ZINC000553770715 505004826 /nfs/dbraw/zinc/00/48/26/505004826.db2.gz WBAPEGYHLCWJNO-MSOLQXFVSA-N 2 0 364.534 3.006 20 0 FGADRP CC[NH+](CC)CCOc1ccc(C(=O)N2CC[C@H]([NH+]3CCCC3)[C@@H]2C)cc1 ZINC000553790547 505012482 /nfs/dbraw/zinc/01/24/82/505012482.db2.gz HMGLPFLENWLOQJ-RXVVDRJESA-N 2 0 373.541 3.106 20 0 FGADRP Cc1ccc(OC(F)F)c(C[N@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)c1 ZINC000556916893 505016008 /nfs/dbraw/zinc/01/60/08/505016008.db2.gz WWXKFCKJESGOJG-GOSISDBHSA-N 2 0 367.484 3.197 20 0 FGADRP CC(C)OCC[NH+]1CCC(Nc2ncnc3[nH]c4ccccc4c32)CC1 ZINC000560201675 505018960 /nfs/dbraw/zinc/01/89/60/505018960.db2.gz RZVHUEXWKWBYIX-UHFFFAOYSA-N 2 0 353.470 3.412 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)[C@@H](C)[NH2+]C1CC1)c1ccc(C(F)(F)F)cc1 ZINC000563054943 505034697 /nfs/dbraw/zinc/03/46/97/505034697.db2.gz CMXBVCWNXPUMTF-DYVFJYSZSA-N 2 0 371.447 3.345 20 0 FGADRP C[C@H]1CCCC[N@@H+]1CCC(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1 ZINC000557032536 505048821 /nfs/dbraw/zinc/04/88/21/505048821.db2.gz HZNNJGWTHYAIER-HNNXBMFYSA-N 2 0 367.921 3.483 20 0 FGADRP C[C@@H](C(=O)N1CCCC[C@H]1C[NH+](C)C)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000553975773 505058135 /nfs/dbraw/zinc/05/81/35/505058135.db2.gz MQSYYZNHFKONOP-UGKGYDQZSA-N 2 0 371.569 3.272 20 0 FGADRP C[NH+]1CCC([C@@H]2CC[N@H+](Cc3cc(Cl)c4c(c3)OCCO4)C2)CC1 ZINC000550573185 505066663 /nfs/dbraw/zinc/06/66/63/505066663.db2.gz NGZMVYQYQGAXFH-MRXNPFEDSA-N 2 0 350.890 3.275 20 0 FGADRP C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000557140718 505076460 /nfs/dbraw/zinc/07/64/60/505076460.db2.gz PPXBTQFGXMLNGS-WIYYLYMNSA-N 2 0 372.557 3.474 20 0 FGADRP CC1CC[NH+](CCCC[NH2+]C[C@@H](O)COc2cccc3[nH]ccc32)CC1 ZINC000566106523 505083232 /nfs/dbraw/zinc/08/32/32/505083232.db2.gz SYEQNITVFGLYOO-GOSISDBHSA-N 2 0 359.514 3.009 20 0 FGADRP CC(C)(C)c1ccc(OC[C@@H](O)C[NH2+]C2CC[NH+](C3CCC3)CC2)cc1 ZINC000566119731 505088198 /nfs/dbraw/zinc/08/81/98/505088198.db2.gz ARZOKDPGHAEICF-FQEVSTJZSA-N 2 0 360.542 3.330 20 0 FGADRP CC(C)[N@H+](C)CC1CCN(C(=O)NCC[NH2+]C2CCCCCC2)CC1 ZINC000557226460 505095772 /nfs/dbraw/zinc/09/57/72/505095772.db2.gz WPBPPOBVRZXEQT-UHFFFAOYSA-N 2 0 352.567 3.061 20 0 FGADRP O=C1C[C@H](C[NH2+]C2CC[NH+](C3CCCC3)CC2)CN1Cc1ccccc1 ZINC000557274391 505102712 /nfs/dbraw/zinc/10/27/12/505102712.db2.gz UMYBKNCJTVAISQ-LJQANCHMSA-N 2 0 355.526 3.032 20 0 FGADRP C[N@@H+]1CCC[C@H](CNC(=O)C[C@H]([NH3+])Cc2ccccc2)[C@H]1c1cccs1 ZINC000566185392 505106811 /nfs/dbraw/zinc/10/68/11/505106811.db2.gz BOLZCCGXIVGVRC-OPYAIIAOSA-N 2 0 371.550 3.207 20 0 FGADRP C[C@@H]([NH2+][C@@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21)c1cc[nH]c(=O)c1 ZINC000550860292 505115056 /nfs/dbraw/zinc/11/50/56/505115056.db2.gz ITAJUWAORVVUFO-CRAIPNDOSA-N 2 0 353.466 3.426 20 0 FGADRP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H](C)C1)C(C)(C)n1cncn1 ZINC000550886557 505120752 /nfs/dbraw/zinc/12/07/52/505120752.db2.gz HMCFIZLOOWAUDF-QZTJIDSGSA-N 2 0 355.530 3.423 20 0 FGADRP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(COC3CCOCC3)cc2)[C@H]2CCC[C@@H]21 ZINC000560544127 505120729 /nfs/dbraw/zinc/12/07/29/505120729.db2.gz FFGWZPVBLHKWSR-FSSWDIPSSA-N 2 0 358.526 3.345 20 0 FGADRP Cc1cc(C)c([C@H](C)[N@@H+]2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)c(C)c1 ZINC000566244292 505121636 /nfs/dbraw/zinc/12/16/36/505121636.db2.gz QLUZZZJKGMUDKZ-UFYCRDLUSA-N 2 0 357.542 3.253 20 0 FGADRP CC[C@H](C)[NH2+][C@H](CNC(=O)NCCC[N@@H+]1CCCC[C@H]1C)c1ccco1 ZINC000554252192 505125326 /nfs/dbraw/zinc/12/53/26/505125326.db2.gz GXNGDLMZCCGBQT-RCCFBDPRSA-N 2 0 364.534 3.273 20 0 FGADRP Cc1nn(-c2ccccc2)c(C)c1C[NH+]1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000563460786 505147001 /nfs/dbraw/zinc/14/70/01/505147001.db2.gz RKTAZOXLJXAXNC-FGZHOGPDSA-N 2 0 368.525 3.207 20 0 FGADRP CC(C)[N@@H+]1CCCC[C@H]1CN1CCC(C[NH+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000551070114 505151971 /nfs/dbraw/zinc/15/19/71/505151971.db2.gz TXYYTGWGJBVSOE-ZVDOUQERSA-N 2 0 351.579 3.071 20 0 FGADRP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)C1 ZINC000566481313 505187240 /nfs/dbraw/zinc/18/72/40/505187240.db2.gz GYGVOVZRJBKFBR-ZACQAIPSSA-N 2 0 369.431 3.056 20 0 FGADRP CC(C)[NH+]1CCC([NH2+][C@@H]2CCN(c3cccc(Br)c3)C2)CC1 ZINC000560897298 505208650 /nfs/dbraw/zinc/20/86/50/505208650.db2.gz BKHNROXBIGIQGN-QGZVFWFLSA-N 2 0 366.347 3.490 20 0 FGADRP C[NH+](C)CCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)C[C@@H]1CCC[NH2+]1 ZINC000563709471 505217416 /nfs/dbraw/zinc/21/74/16/505217416.db2.gz VXLGMEZDJIVUJE-HNNXBMFYSA-N 2 0 372.340 3.416 20 0 FGADRP CC[NH+](CC)Cc1ccccc1CNC(=O)N1C[C@@H]([NH+]2CCCC2)C[C@H]1C ZINC000557739401 505218189 /nfs/dbraw/zinc/21/81/89/505218189.db2.gz YUOIVLLXBIGPHM-NQIIRXRSSA-N 2 0 372.557 3.297 20 0 FGADRP C[N@H+](Cc1ccccc1CNC(=O)N1CCC[C@H](C[NH3+])C1)C1CCCCC1 ZINC000561137459 505260141 /nfs/dbraw/zinc/26/01/41/505260141.db2.gz IHEDMCCJKASCCY-GOSISDBHSA-N 2 0 372.557 3.331 20 0 FGADRP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C[C@H](c2nccn2C)C(F)(F)F)C1 ZINC000561180193 505273377 /nfs/dbraw/zinc/27/33/77/505273377.db2.gz LQKVEGGULUIPRP-UONOGXRCSA-N 2 0 374.451 3.083 20 0 FGADRP C[C@@H]1C[C@@H](NC(=O)NC[C@@H]2[NH2+]CCCC2(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000561193864 505276884 /nfs/dbraw/zinc/27/68/84/505276884.db2.gz PKHQRSDVAODAPR-HOJAQTOUSA-N 2 0 372.557 3.117 20 0 FGADRP CSC1(C[NH2+][C@H](C)c2ncc(Br)s2)CC[NH+](C)CC1 ZINC000566827011 505283148 /nfs/dbraw/zinc/28/31/48/505283148.db2.gz RIHYBKZISVPGIJ-SNVBAGLBSA-N 2 0 364.378 3.384 20 0 FGADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC000561222460 505284971 /nfs/dbraw/zinc/28/49/71/505284971.db2.gz MMMBZKIVZYKPTG-GOSISDBHSA-N 2 0 359.558 3.421 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1c(C)nn(C(C)(C)C)c1C ZINC000554882720 505288960 /nfs/dbraw/zinc/28/89/60/505288960.db2.gz NPUZIRLCERTMCI-IBGZPJMESA-N 2 0 363.594 3.103 20 0 FGADRP C[NH+]1CCC(Oc2ccc(C[NH2+]CCC(=O)Nc3ccccc3)cc2)CC1 ZINC000566910088 505309104 /nfs/dbraw/zinc/30/91/04/505309104.db2.gz BCMLRMXXVKTILC-UHFFFAOYSA-N 2 0 367.493 3.278 20 0 FGADRP C[N@@H+]1CCN(C(=O)c2ccc(C[NH+]3CCCC3)cc2)C2(CCCCC2)C1 ZINC000555042746 505334758 /nfs/dbraw/zinc/33/47/58/505334758.db2.gz FRYBOQVYSFOHRH-UHFFFAOYSA-N 2 0 355.526 3.373 20 0 FGADRP Cc1cc2ncn(C[C@@H](O)C[NH2+]CCc3cc(C)c(O)c(C)c3)c2cc1C ZINC000564203199 505352079 /nfs/dbraw/zinc/35/20/79/505352079.db2.gz DNZNUMFSSYHRKX-IBGZPJMESA-N 2 0 367.493 3.169 20 0 FGADRP Cc1cc2ncn(C[C@H](O)C[NH2+][C@H]3c4ccccc4O[C@H]3C)c2cc1C ZINC000564203651 505352108 /nfs/dbraw/zinc/35/21/08/505352108.db2.gz SPHJGYQLHCBZLD-GCKMJXCFSA-N 2 0 351.450 3.126 20 0 FGADRP Cc1ccc([C@@H](CNC(=O)Nc2ccc3c(c2F)CC[NH2+]C3)[NH+](C)C)cc1 ZINC000567095033 505362840 /nfs/dbraw/zinc/36/28/40/505362840.db2.gz NMZFZRVBHPWXIH-LJQANCHMSA-N 2 0 370.472 3.204 20 0 FGADRP CCN(CC[NH+]1CCCCCC1)C(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000558377026 505370818 /nfs/dbraw/zinc/37/08/18/505370818.db2.gz HOFCIAPDXFXOBJ-UHFFFAOYSA-N 2 0 360.546 3.156 20 0 FGADRP CC[C@@H]1C[C@@H](C[NH+]2CCN([C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)CCO1 ZINC000567147732 505376822 /nfs/dbraw/zinc/37/68/22/505376822.db2.gz YPMGXXYPLAVZOH-YTFSRNRJSA-N 2 0 371.569 3.084 20 0 FGADRP CC[C@@H]([NH2+]C1CCC([NH+](C)C)CC1)c1ccccc1OCC(=O)N(C)C ZINC000552037882 505377849 /nfs/dbraw/zinc/37/78/49/505377849.db2.gz XSSLWWNWDULTKD-FAFZWHIHSA-N 2 0 361.530 3.067 20 0 FGADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](c1cccc(OC(F)(F)F)c1)C1CC1 ZINC000552044647 505379812 /nfs/dbraw/zinc/37/98/12/505379812.db2.gz JCYWULVJTRGUQK-RDTXWAMCSA-N 2 0 371.447 3.262 20 0 FGADRP CCC[N@H+](C)[C@@H](CNC(=O)N[C@@H](C)CC[NH+](C)C)c1ccc(Cl)cc1 ZINC000561637480 505396265 /nfs/dbraw/zinc/39/62/65/505396265.db2.gz FBYRPQQVOUZTOM-YJBOKZPZSA-N 2 0 368.953 3.362 20 0 FGADRP C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)C[C@H](O)Cc1ccc(F)cc1 ZINC000567221097 505399028 /nfs/dbraw/zinc/39/90/28/505399028.db2.gz JUPQWAPPGFTJAV-JOCHJYFZSA-N 2 0 371.500 3.363 20 0 FGADRP C[C@H](NC(=O)Nc1cccc2c1CC[NH2+]C2)[C@@H](c1ccccc1)[NH+](C)C ZINC000567244478 505406880 /nfs/dbraw/zinc/40/68/80/505406880.db2.gz PKMYTMKKFNOIOH-YWZLYKJASA-N 2 0 352.482 3.145 20 0 FGADRP C[C@H](CC(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1ccccc1C(F)(F)F ZINC000558592239 505432973 /nfs/dbraw/zinc/43/29/73/505432973.db2.gz KSLWGKUATMOJGB-OAHLLOKOSA-N 2 0 373.463 3.151 20 0 FGADRP C[NH+](C)CCOC1CC[NH+](Cc2cccc(OCc3ccccn3)c2)CC1 ZINC000552245210 505439619 /nfs/dbraw/zinc/43/96/19/505439619.db2.gz VDFQGGSLBCPGRO-UHFFFAOYSA-N 2 0 369.509 3.203 20 0 FGADRP CN(C)C(=O)CCC[NH2+][C@@H]1CCCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000552251223 505441589 /nfs/dbraw/zinc/44/15/89/505441589.db2.gz OHOAJYMMSWYNDZ-PWRODBHTSA-N 2 0 357.542 3.135 20 0 FGADRP COC(=O)c1ccc(-c2nc(CN3CC[C@]4(C3)CCC[N@H+](C)C4)co2)cc1 ZINC000555598469 505469367 /nfs/dbraw/zinc/46/93/67/505469367.db2.gz VYHAQCPPOUCVTE-OAQYLSRUSA-N 2 0 369.465 3.046 20 0 FGADRP Cc1ccncc1C[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000555612019 505475069 /nfs/dbraw/zinc/47/50/69/505475069.db2.gz GSPDCEUUPFODGT-JOCHJYFZSA-N 2 0 365.521 3.408 20 0 FGADRP C[NH+](C)[C@H](CNC(=O)c1ccccc1CC1CC[NH2+]CC1)c1ccsc1 ZINC000567504654 505483062 /nfs/dbraw/zinc/48/30/62/505483062.db2.gz XLWGZHNAHUYXMV-HXUWFJFHSA-N 2 0 371.550 3.323 20 0 FGADRP CC(C)(C)c1nnc(CN[C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)[nH]1 ZINC000564656903 505484218 /nfs/dbraw/zinc/48/42/18/505484218.db2.gz ZGOBWYNFNHJENI-KRWDZBQOSA-N 2 0 353.514 3.389 20 0 FGADRP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+]1CC[C@@H](CC2CC2)C1 ZINC000555697065 505493051 /nfs/dbraw/zinc/49/30/51/505493051.db2.gz ROMZVGYONURQFT-NQIIRXRSSA-N 2 0 369.553 3.278 20 0 FGADRP C[NH+](C)CCCCC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000552537172 505509968 /nfs/dbraw/zinc/50/99/68/505509968.db2.gz MTGZVURSSANNRR-GOSISDBHSA-N 2 0 351.922 3.325 20 0 FGADRP C[C@H]1C[NH+](Cc2ccc(-c3nc(C4([NH3+])CCCCC4)no3)cc2)C[C@H](C)O1 ZINC000567663640 505528314 /nfs/dbraw/zinc/52/83/14/505528314.db2.gz XYKONEUJJSAXEO-HOTGVXAUSA-N 2 0 370.497 3.464 20 0 FGADRP C[C@H](C[NH2+]C[C@@H](O)CO[C@@H](C)c1ccc(Cl)cc1)C[NH+]1CCCC1 ZINC000567678561 505533045 /nfs/dbraw/zinc/53/30/45/505533045.db2.gz WBURQCBQIPTJHH-JTDSTZFVSA-N 2 0 354.922 3.100 20 0 FGADRP C[C@H](OC[C@H](O)C[NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1)c1ccc(Cl)cc1 ZINC000564848452 505538040 /nfs/dbraw/zinc/53/80/40/505538040.db2.gz FEQFPELSACVEPC-JEDBISTDSA-N 2 0 354.922 3.241 20 0 FGADRP C[C@@H](OC[C@@H](O)C[NH2+]CC(C)(C)C[NH+]1CCCC1)c1ccc(Cl)cc1 ZINC000564864730 505543811 /nfs/dbraw/zinc/54/38/11/505543811.db2.gz SSTAENBSGZYMMM-APWZRJJASA-N 2 0 368.949 3.490 20 0 FGADRP C[C@H]([NH3+])C1CCN(C(=O)NCC[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC000567715190 505547177 /nfs/dbraw/zinc/54/71/77/505547177.db2.gz SOJSINBPCKIKBK-HBFSDRIKSA-N 2 0 372.557 3.056 20 0 FGADRP c1ccc(CN2CC[C@H]([NH2+]CCCOC[C@H]3CCOC3)CC23CC3)cc1 ZINC000567851339 505568393 /nfs/dbraw/zinc/56/83/93/505568393.db2.gz ALYXVUVHQWJTTJ-RTWAWAEBSA-N 2 0 358.526 3.216 20 0 FGADRP C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000567889416 505570100 /nfs/dbraw/zinc/57/01/00/505570100.db2.gz WLOBVYCVQCIWLW-PGRDOPGGSA-N 2 0 369.553 3.135 20 0 FGADRP Cc1cc(C(=O)C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c(C)n1CC(F)(F)F ZINC000567893706 505570461 /nfs/dbraw/zinc/57/04/61/505570461.db2.gz NEYINQBUFBYOBN-HOTGVXAUSA-N 2 0 371.447 3.171 20 0 FGADRP C[C@@H](CC(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000582727857 506386057 /nfs/dbraw/zinc/38/60/57/506386057.db2.gz QGMKSKJEPXXQIC-AZUAARDMSA-N 2 0 372.557 3.172 20 0 FGADRP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@H](c1c(F)cccc1Cl)N1CCCC1 ZINC000599394734 506439878 /nfs/dbraw/zinc/43/98/78/506439878.db2.gz JCJUXDVEIYYBJC-DLBZAZTESA-N 2 0 367.896 3.217 20 0 FGADRP C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)[C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)C1 ZINC000582863423 506460588 /nfs/dbraw/zinc/46/05/88/506460588.db2.gz HFTUQNFHGPEKJC-YHBROIRLSA-N 2 0 369.553 3.455 20 0 FGADRP CC[C@H](C)[N@H+](C)CCNC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000589204244 506483751 /nfs/dbraw/zinc/48/37/51/506483751.db2.gz ZJJZEXSYCAOBKJ-SFHVURJKSA-N 2 0 360.546 3.202 20 0 FGADRP [NH3+][C@H]1CCCCC[C@H]1[NH2+]CCc1ccc(I)cc1 ZINC000596651200 506511570 /nfs/dbraw/zinc/51/15/70/506511570.db2.gz BFOYLCBIXBYEPT-LSDHHAIUSA-N 2 0 358.267 3.083 20 0 FGADRP C[C@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)NCC[NH2+]C(C)(C)C ZINC000608375816 506533545 /nfs/dbraw/zinc/53/35/45/506533545.db2.gz NDBLQXUVQHUUPM-KRWDZBQOSA-N 2 0 361.530 3.058 20 0 FGADRP CC(C)[C@H](CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C[NH+](C)C)[NH+](C)C ZINC000589476288 506561275 /nfs/dbraw/zinc/56/12/75/506561275.db2.gz MTXJIKGKTJSCFP-KRWDZBQOSA-N 2 0 374.356 3.470 20 0 FGADRP C[C@@H]([NH2+]C1(CNC(=O)N[C@@H]2CCC[N@H+](C)C2)CCCC1)c1ccccc1 ZINC000603593726 506569431 /nfs/dbraw/zinc/56/94/31/506569431.db2.gz XQNYUYYADBNWNN-IEBWSBKVSA-N 2 0 358.530 3.043 20 0 FGADRP C[C@H]1C[C@@H](N(C)C(=O)c2ccccc2CC[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000583091207 506584589 /nfs/dbraw/zinc/58/45/89/506584589.db2.gz LJNCFBCJTWEYAB-RXVVDRJESA-N 2 0 365.521 3.313 20 0 FGADRP CC[NH+]1CCN(CCC[NH2+]C[C@@H](C)c2ccc(C(F)(F)F)cc2)CC1 ZINC000583232464 506662494 /nfs/dbraw/zinc/66/24/94/506662494.db2.gz YPISGESBDGKQEV-MRXNPFEDSA-N 2 0 357.464 3.426 20 0 FGADRP COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]C[C@H]1CC[N@@H+](C(C)C)C1 ZINC000583348833 506730176 /nfs/dbraw/zinc/73/01/76/506730176.db2.gz HDIGZCMBQWLPKC-LSDHHAIUSA-N 2 0 367.921 3.386 20 0 FGADRP CC[NH+](CC)[C@H](C)CNC(=O)N[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000604170892 506733639 /nfs/dbraw/zinc/73/36/39/506733639.db2.gz DRBKYUHAXNMWBT-UYAOXDASSA-N 2 0 360.546 3.243 20 0 FGADRP C[NH+](C)CC1CC[NH+](C[C@@H](O)COc2ccc(Cl)c(Cl)c2)CC1 ZINC000590125976 506743867 /nfs/dbraw/zinc/74/38/67/506743867.db2.gz ZXVVIAUHXBUZPN-CQSZACIVSA-N 2 0 361.313 3.007 20 0 FGADRP CC[N@@H+]1CCC[C@H](CNC(=O)N[C@H](C[NH+]2CCCCC2)c2ccccc2)C1 ZINC000604193600 506745376 /nfs/dbraw/zinc/74/53/76/506745376.db2.gz BEXPVYRRFXAPDN-TZIWHRDSSA-N 2 0 372.557 3.245 20 0 FGADRP CCC(CC)(CNC(=O)N[C@@H]1CC12CC[NH2+]CC2)[NH2+][C@@H](C)c1ccccc1 ZINC000612971393 506845137 /nfs/dbraw/zinc/84/51/37/506845137.db2.gz OKPVSWGKTKZWNW-PKOBYXMFSA-N 2 0 372.557 3.337 20 0 FGADRP CC(C)C[C@H](CNC(=O)N[C@@H]1CC12CC[NH2+]CC2)[NH2+][C@H](C)c1ccccc1 ZINC000612977725 506847648 /nfs/dbraw/zinc/84/76/48/506847648.db2.gz PNISTXKERRESBC-MISYRCLQSA-N 2 0 372.557 3.193 20 0 FGADRP COC(=O)c1ccc(Cl)c(C[NH2+]CC2CC[NH+](CC3CC3)CC2)c1 ZINC000597248296 506858508 /nfs/dbraw/zinc/85/85/08/506858508.db2.gz PJCBSZOMVRZULG-UHFFFAOYSA-N 2 0 350.890 3.338 20 0 FGADRP C[C@H]([NH2+]Cc1nnc(C2CC[NH2+]CC2)[nH]1)[C@H](C)c1nc2ccccc2s1 ZINC000583625873 506884201 /nfs/dbraw/zinc/88/42/01/506884201.db2.gz QHZLCAJAYMFNDT-STQMWFEESA-N 2 0 370.526 3.163 20 0 FGADRP CC(C)[N@H+](C)CC1CC[NH+]([C@H](C)C(=O)N[C@H]2CCC[C@@H](C)[C@@H]2C)CC1 ZINC000590786547 506956122 /nfs/dbraw/zinc/95/61/22/506956122.db2.gz DSPUERIRXLQMNP-RMJJICAUSA-N 2 0 351.579 3.368 20 0 FGADRP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000594133707 506965043 /nfs/dbraw/zinc/96/50/43/506965043.db2.gz TXMMZFCVPKFORZ-SBHAEUEKSA-N 2 0 372.557 3.386 20 0 FGADRP CC[N@@H+]1CCCC[C@H]1C(=O)NCc1ccccc1C[NH+]1CCC[C@@H](C)C1 ZINC000591096976 507114218 /nfs/dbraw/zinc/11/42/18/507114218.db2.gz PCSJLSVEWVHIFT-NQIIRXRSSA-N 2 0 357.542 3.409 20 0 FGADRP C[C@@H]([NH3+])[C@H]1CCCN(C(=O)NCC2([NH2+][C@@H](C)c3ccccc3)CCCC2)C1 ZINC000584162525 507187737 /nfs/dbraw/zinc/18/77/37/507187737.db2.gz XBOWZAICLXIIPF-HBFSDRIKSA-N 2 0 372.557 3.419 20 0 FGADRP C[N@H+](CCNC(=O)NC[C@@H]1CCC[NH+](Cc2ccccc2)C1)C1CCCC1 ZINC000591410095 507239878 /nfs/dbraw/zinc/23/98/78/507239878.db2.gz FDKYFOFIKCGYIY-FQEVSTJZSA-N 2 0 372.557 3.072 20 0 FGADRP CCCN(C(=O)N[C@H](C)C[C@H](C)[NH3+])[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000584290126 507261787 /nfs/dbraw/zinc/26/17/87/507261787.db2.gz FBIWUWLWGZUMND-NSHGMRRFSA-N 2 0 360.546 3.198 20 0 FGADRP CCc1ccc([C@H](CNC(=O)NC[C@@H](C(C)C)[NH+]2CCCC2)[NH+](C)C)cc1 ZINC000591541850 507283447 /nfs/dbraw/zinc/28/34/47/507283447.db2.gz OGYUQDVZWNNZRD-SFTDATJTSA-N 2 0 374.573 3.271 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)NC[C@H]1CCC[NH+](C)C1 ZINC000594870344 507300985 /nfs/dbraw/zinc/30/09/85/507300985.db2.gz ZBZYTGILJNADFI-RTBURBONSA-N 2 0 373.541 3.011 20 0 FGADRP CC(C)C[C@H](CNC(=O)NCC1CC[NH2+]CC1)[NH2+][C@@H](C)c1ccccc1 ZINC000584400263 507323901 /nfs/dbraw/zinc/32/39/01/507323901.db2.gz QCHHONFHDVOWAB-FXAWDEMLSA-N 2 0 360.546 3.051 20 0 FGADRP COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000594942416 507324467 /nfs/dbraw/zinc/32/44/67/507324467.db2.gz IBUAVTMHCWFNFX-JSNNEVCYSA-N 2 0 356.510 3.074 20 0 FGADRP Cc1ccc([C@@H](CNC(=O)N2CCC[C@H]([NH2+]C(C)C)C2)[NH+]2CCCC2)cc1 ZINC000601290607 507324682 /nfs/dbraw/zinc/32/46/82/507324682.db2.gz UESRKGUQGQTJBV-LEWJYISDSA-N 2 0 372.557 3.304 20 0 FGADRP COC(=O)c1cnc([C@H](C)NC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)s1 ZINC000601289859 507324830 /nfs/dbraw/zinc/32/48/30/507324830.db2.gz VAGMHKXSRUCJSU-YQQAZPJKSA-N 2 0 373.522 3.348 20 0 FGADRP C[C@H](CSCCF)[NH2+]Cc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000595003752 507351282 /nfs/dbraw/zinc/35/12/82/507351282.db2.gz LLEVHGZVEWQGIV-ZACQAIPSSA-N 2 0 354.535 3.477 20 0 FGADRP C[C@@H](CSCCF)[NH2+]CCCN1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000595007473 507352762 /nfs/dbraw/zinc/35/27/62/507352762.db2.gz OECPRKLYLZSMFM-HKUYNNGSSA-N 2 0 353.551 3.046 20 0 FGADRP Cc1c2cc(F)ccc2oc1C(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000601473031 507370774 /nfs/dbraw/zinc/37/07/74/507370774.db2.gz BRRMBPQNGGFLFO-QGZVFWFLSA-N 2 0 373.472 3.121 20 0 FGADRP COC(=O)CC1(C[N@H+](C)C[C@H]2CC[NH+](Cc3ccc(C)s3)C2)CC1 ZINC000584533397 507398654 /nfs/dbraw/zinc/39/86/54/507398654.db2.gz YVDRJIYQYFACQK-MRXNPFEDSA-N 2 0 350.528 3.154 20 0 FGADRP O=C1C[C@H]([NH2+][C@@H]2CCCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CN1C1CC1 ZINC000584670688 507441163 /nfs/dbraw/zinc/44/11/63/507441163.db2.gz LSZDVFLECWJYKW-SEIRJHJZSA-N 2 0 367.537 3.030 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N1CCC[N@@H+](C2CCCC2)CC1)CC(C)C ZINC000606633853 507460026 /nfs/dbraw/zinc/46/00/26/507460026.db2.gz XUPUVJSHFFRIMY-FQEVSTJZSA-N 2 0 366.594 3.403 20 0 FGADRP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)N[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000606690476 507482698 /nfs/dbraw/zinc/48/26/98/507482698.db2.gz AGGKCXBKGCXQRN-SFTDATJTSA-N 2 0 372.557 3.195 20 0 FGADRP CC[NH+]1CCC(CC[NH2+]C[C@H](O)CO[C@@H]2CCCc3ccccc32)CC1 ZINC000584834345 507530677 /nfs/dbraw/zinc/53/06/77/507530677.db2.gz JZGSMPACEQOIQU-RBBKRZOGSA-N 2 0 360.542 3.153 20 0 FGADRP CC(C)[N@H+](C)CC1CC[NH+]([C@H]2CCN(c3ccc(Cl)cc3)C2=O)CC1 ZINC000606897806 507546794 /nfs/dbraw/zinc/54/67/94/507546794.db2.gz CMULYUDUNBAFGV-IBGZPJMESA-N 2 0 363.933 3.498 20 0 FGADRP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000595636284 507607079 /nfs/dbraw/zinc/60/70/79/507607079.db2.gz IPGRLGSSFORSGF-FQEVSTJZSA-N 2 0 360.546 3.202 20 0 FGADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)C2CC[NH+](Cc3ccccc3)CC2)C[C@H]1C ZINC000607125427 507622937 /nfs/dbraw/zinc/62/29/37/507622937.db2.gz PMDXCFWVUACQKA-WIYYLYMNSA-N 2 0 357.542 3.230 20 0 FGADRP C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)[C@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000614726067 507637356 /nfs/dbraw/zinc/63/73/56/507637356.db2.gz WHKRLBQUGSNOLT-BAGYTPMASA-N 2 0 369.553 3.026 20 0 FGADRP CC(C)[C@H](CNC(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1)[NH+]1CCC(C)CC1 ZINC000592490839 507678362 /nfs/dbraw/zinc/67/83/62/507678362.db2.gz PBEWEQQNXBGNKD-ICSRJNTNSA-N 2 0 364.578 3.059 20 0 FGADRP C[NH+]1CCC2(CCN(C(=O)C3(C)CC[NH+](Cc4ccccc4)CC3)C2)CC1 ZINC000614965397 507708231 /nfs/dbraw/zinc/70/82/31/507708231.db2.gz UUMCOFHVNYYPDS-UHFFFAOYSA-N 2 0 369.553 3.233 20 0 FGADRP Nc1nc(CN2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)nc2ccccc12 ZINC000519035649 516862709 /nfs/dbraw/zinc/86/27/09/516862709.db2.gz BCOYAFVDIZRPPD-RTBURBONSA-N 2 0 373.504 3.166 20 0 FGADRP C[NH+](C)C1CCC(NC(=O)NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000643228246 568026845 /nfs/dbraw/zinc/02/68/45/568026845.db2.gz XNEYHUTXWDIVIA-MWXLCCTBSA-N 2 0 372.557 3.071 20 0 FGADRP CC[C@@H]1CN(C(=O)NCc2ccccc2C[N@@H+]2CCCC[C@@H]2C)CC[C@@H]1[NH3+] ZINC000669117817 568035336 /nfs/dbraw/zinc/03/53/36/568035336.db2.gz SSFUNVVIOOXMPZ-UEXGIBASSA-N 2 0 372.557 3.330 20 0 FGADRP Cc1ccccc1NC(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000623068775 568154472 /nfs/dbraw/zinc/15/44/72/568154472.db2.gz KPGKLKAZCZIFTI-UHFFFAOYSA-N 2 0 352.482 3.110 20 0 FGADRP CC[N@H+](CCC1CC[NH+](Cc2cccc(-c3nn[nH]n3)c2)CC1)CC(C)C ZINC000825419186 608329176 /nfs/dbraw/zinc/32/91/76/608329176.db2.gz KBBVAWHPNPWQRI-UHFFFAOYSA-N 2 0 370.545 3.447 20 0 FGADRP C[C@H]1C[C@H]([NH2+]Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)CC[N@@H+]1C ZINC000824894561 608362377 /nfs/dbraw/zinc/36/23/77/608362377.db2.gz YSWBLWYELVFXLT-MAUKXSAKSA-N 2 0 362.481 3.106 20 0 FGADRP C[NH+](C)CC[C@H]([NH2+][C@@H]1CCCc2cc(-c3nn[nH]n3)ccc21)C(C)(C)C ZINC000825859509 608512470 /nfs/dbraw/zinc/51/24/70/608512470.db2.gz GKDUAPISCVEZRD-MSOLQXFVSA-N 2 0 356.518 3.200 20 0 FGADRP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824945301 609326503 /nfs/dbraw/zinc/32/65/03/609326503.db2.gz BBNMFNBETTVZDR-HUUCEWRRSA-N 2 0 360.481 3.169 20 0 FGADRP Cc1ccc(NC(=S)N(CCC[NH+](C)C)CCC[NH+](C)C)cc1C ZINC000007518576 695571266 /nfs/dbraw/zinc/57/12/66/695571266.db2.gz YLUYJWBBKLHICA-UHFFFAOYSA-N 2 0 350.576 3.206 20 0 FGADRP CCC[NH+]1CCC([NH2+][C@@H](C)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000105783237 700504959 /nfs/dbraw/zinc/50/49/59/700504959.db2.gz PCJYXQHGFPASPF-DLBZAZTESA-N 2 0 353.551 3.486 20 0 FGADRP C[C@@H]([NH2+]C[C@H](c1ccc(Cl)cc1)N1CCOCC1)C1CC[NH+](C)CC1 ZINC000119820244 700639624 /nfs/dbraw/zinc/63/96/24/700639624.db2.gz ZRVPKUTZURVVNR-OXQOHEQNSA-N 2 0 365.949 3.033 20 0 FGADRP CC[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)C[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000160485062 705254473 /nfs/dbraw/zinc/25/44/73/705254473.db2.gz LGFRWSHOGQWTHW-KSZLIROESA-N 2 0 353.551 3.486 20 0 FGADRP CCc1nc(CN2CCC(C[NH2+][C@@H](C)C3CC[NH+](C)CC3)CC2)cs1 ZINC000161796766 705282950 /nfs/dbraw/zinc/28/29/50/705282950.db2.gz LUMMWVKUVMZTIK-INIZCTEOSA-N 2 0 364.603 3.237 20 0 FGADRP C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCC[N@H+](CCC[NH+]2CCCCC2)C1 ZINC000161924892 705286080 /nfs/dbraw/zinc/28/60/80/705286080.db2.gz ASUILRBKHAHTAH-ROUUACIJSA-N 2 0 353.551 3.488 20 0 FGADRP CC1CC[NH+](CCC[NH2+]CC2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000177550575 705627614 /nfs/dbraw/zinc/62/76/14/705627614.db2.gz PIMQIBKNYSSGLW-UHFFFAOYSA-N 2 0 353.551 3.345 20 0 FGADRP Cc1nccn1CCCC[N@H+]1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC000179422592 705701218 /nfs/dbraw/zinc/70/12/18/705701218.db2.gz DNAAYLWKGVKLRB-QGZVFWFLSA-N 2 0 350.507 3.161 20 0 FGADRP C[NH+]1CCC(CC[NH2+][C@@H]2CCCC[C@H]2CNC(=O)OC(C)(C)C)CC1 ZINC000180455353 705740848 /nfs/dbraw/zinc/74/08/48/705740848.db2.gz XKGYQINFNWHKSH-ZWKOTPCHSA-N 2 0 353.551 3.391 20 0 FGADRP CC(C)(C)[S@](=O)CC[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000248399527 713648775 /nfs/dbraw/zinc/64/87/75/713648775.db2.gz JZVYTMNWGDVJLK-XZWCOCNFSA-N 2 0 362.583 3.424 20 0 FGADRP C[C@@H]([NH2+][C@H](CNC(=O)OC(C)(C)C)C1CCCC1)C1CC[NH+](C)CC1 ZINC000302061666 713782580 /nfs/dbraw/zinc/78/25/80/713782580.db2.gz QUMMKHNECZYVOA-CRAIPNDOSA-N 2 0 353.551 3.390 20 0 FGADRP C(CC[NH+]1CCCO[C@@H]2CCC[C@H]21)CC[N@@H+]1CCCO[C@@H]2CCC[C@H]21 ZINC000374129453 713901290 /nfs/dbraw/zinc/90/12/90/713901290.db2.gz LMWCVYULDMBYGC-XRXFAXGQSA-N 2 0 350.547 3.444 20 0 FGADRP C[NH+]1CCC(C)(C[NH2+][C@H]2CCCC[C@H]2CNC(=O)OC(C)(C)C)CC1 ZINC000385447512 713983418 /nfs/dbraw/zinc/98/34/18/713983418.db2.gz WWRDSSUONAMRFU-IRXDYDNUSA-N 2 0 353.551 3.391 20 0 FGADRP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000386553369 713985268 /nfs/dbraw/zinc/98/52/68/713985268.db2.gz HJZIVWUXYJKCIJ-BSDSXHPESA-N 2 0 351.535 3.381 20 0 FGADRP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000386553371 713985407 /nfs/dbraw/zinc/98/54/07/713985407.db2.gz HJZIVWUXYJKCIJ-MHORFTMASA-N 2 0 351.535 3.381 20 0 FGADRP C[NH+]1CCN(CCC(C)(C)[NH2+]Cc2cscc2Br)CC1 ZINC000511987600 714128929 /nfs/dbraw/zinc/12/89/29/714128929.db2.gz GVPCSTYRJULHAB-UHFFFAOYSA-N 2 0 360.365 3.016 20 0 FGADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)NC1CC[NH+](CC(C)C)CC1 ZINC000524570633 714289061 /nfs/dbraw/zinc/28/90/61/714289061.db2.gz OXRYSQIBTRLBSW-LJQANCHMSA-N 2 0 352.567 3.061 20 0 FGADRP CC(C)[C@H](CNC(=O)NCC[N@H+](C)C1CCCC1)[NH+]1CCCCCC1 ZINC000524667613 714294530 /nfs/dbraw/zinc/29/45/30/714294530.db2.gz LNWORTGCXLOKOT-IBGZPJMESA-N 2 0 352.567 3.061 20 0 FGADRP Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC000524970284 714313563 /nfs/dbraw/zinc/31/35/63/714313563.db2.gz YAKOZNBXUVQVFS-IYBDPMFKSA-N 2 0 361.555 3.355 20 0 FGADRP COc1ccc2c(c1)[C@@H]([NH2+]CC1(SC)CC[NH+](C)CC1)CCCO2 ZINC000579891346 714499594 /nfs/dbraw/zinc/49/95/94/714499594.db2.gz OFQBZTMRWIUEBN-KRWDZBQOSA-N 2 0 350.528 3.326 20 0 FGADRP Brc1ccc([C@H]([NH2+]CC2CC[NH2+]CC2)[C@H]2CCCO2)cc1 ZINC000643497350 718036828 /nfs/dbraw/zinc/03/68/28/718036828.db2.gz IZHUJJOKZLOBHY-SJORKVTESA-N 2 0 353.304 3.258 20 0 FGADRP CCO[C@H](CC[NH+](C)C)C[NH2+]Cc1ccc(Br)c(F)c1F ZINC000623443217 715337408 /nfs/dbraw/zinc/33/74/08/715337408.db2.gz UMWCIRZQJWVBEN-GFCCVEGCSA-N 2 0 365.262 3.174 20 0 FGADRP C[C@@H]([NH2+]C[C@@H]1CCCN1CC(F)F)c1ccc(OCC[NH+](C)C)cc1 ZINC000624095445 715470656 /nfs/dbraw/zinc/47/06/56/715470656.db2.gz DACWCDMJQJWJOQ-WBVHZDCISA-N 2 0 355.473 3.007 20 0 FGADRP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+][C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000779132026 724394367 /nfs/dbraw/zinc/39/43/67/724394367.db2.gz XCTANHWIWKUYQI-ZWKOTPCHSA-N 2 0 353.551 3.344 20 0 FGADRP Cc1ccc(-n2c(Cl)c(C[NH2+]CCCC[NH+](C)C)nc2N(C)C)cc1 ZINC000802645393 724394534 /nfs/dbraw/zinc/39/45/34/724394534.db2.gz WFIMPTSYWMMUHU-UHFFFAOYSA-N 2 0 363.937 3.332 20 0 FGADRP O[C@H](C[NH2+]C[C@@H]1CCN1C1CCCCC1)COc1ccc(Cl)cc1 ZINC000629602399 716318021 /nfs/dbraw/zinc/31/80/21/716318021.db2.gz DXLZCONGBILOBH-ZWKOTPCHSA-N 2 0 352.906 3.076 20 0 FGADRP Fc1ccc(C[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)c(C(F)(F)F)c1 ZINC000629672058 716333521 /nfs/dbraw/zinc/33/35/21/716333521.db2.gz DNIGJDQNUPQPND-INIZCTEOSA-N 2 0 360.395 3.435 20 0 FGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+]Cc2ccc(CC(F)(F)F)cc2)CC1 ZINC000631063252 716558136 /nfs/dbraw/zinc/55/81/36/716558136.db2.gz JGIGAWDGKUBPBR-MRXNPFEDSA-N 2 0 357.464 3.155 20 0 FGADRP O[C@@H]1CCC[C@@H]1[NH+]1CCC([NH2+]Cc2ccccc2CC(F)(F)F)CC1 ZINC000631091302 716563695 /nfs/dbraw/zinc/56/36/95/716563695.db2.gz LTYGNXOZQSWVTC-ZWKOTPCHSA-N 2 0 356.432 3.259 20 0 FGADRP CCC1([NH+](C)C)CCN(C(=O)NCCCC[NH+]2CCC(C)CC2)CC1 ZINC000632899072 716838896 /nfs/dbraw/zinc/83/88/96/716838896.db2.gz WCOMUOCAEMHVNZ-UHFFFAOYSA-N 2 0 352.567 3.014 20 0 FGADRP C[C@H](OC[C@H](O)C[N@@H+]1CCC2(C1)CC[NH+](C)CC2)c1ccc(Cl)cc1 ZINC000639759800 717599944 /nfs/dbraw/zinc/59/99/44/717599944.db2.gz JWLRXZDDVAMEPZ-QFBILLFUSA-N 2 0 366.933 3.196 20 0 FGADRP COc1cc2[nH+]ccc(N3CC[C@@H]4CC[NH2+][C@@H]4C3)c2cc1Br ZINC000644181098 718091258 /nfs/dbraw/zinc/09/12/58/718091258.db2.gz DSMVECOUEAHYOO-XHDPSFHLSA-N 2 0 362.271 3.194 20 0 FGADRP O[C@H](C[NH2+]C1CC[NH+](CC2CC2)CC1)COc1ccc(Cl)cc1Cl ZINC000644525590 718119020 /nfs/dbraw/zinc/11/90/20/718119020.db2.gz CQXIQBIUFHMHEX-MRXNPFEDSA-N 2 0 373.324 3.197 20 0 FGADRP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]C[C@@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000644583857 718128437 /nfs/dbraw/zinc/12/84/37/718128437.db2.gz ZIAQIMLUHZQALW-RRFJBIMHSA-N 2 0 361.313 3.196 20 0 FGADRP C[N@@H+]1C[C@@H](C[NH2+]C2CCC(O)(C(F)(F)F)CC2)[C@H](c2ccccc2)C1 ZINC000647343789 718351593 /nfs/dbraw/zinc/35/15/93/718351593.db2.gz CAHLSZZMXYFQEV-ZLZJIPBDSA-N 2 0 356.432 3.157 20 0 FGADRP FC(F)(F)c1ccc(N2CC[C@H]([NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@@H]4C3)C2)cc1 ZINC000647786745 718377756 /nfs/dbraw/zinc/37/77/56/718377756.db2.gz XXBDZGMQUWEETN-WTTBNOFXSA-N 2 0 353.432 3.262 20 0 FGADRP COc1cc(Br)ccc1CCC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000647793720 718377939 /nfs/dbraw/zinc/37/79/39/718377939.db2.gz GDVPHGBTOFCAQH-HLLBOEOZSA-N 2 0 367.331 3.368 20 0 FGADRP COc1cc(Br)ccc1[C@H](C)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000647795693 718378149 /nfs/dbraw/zinc/37/81/49/718378149.db2.gz UAIKKHXYBWFMJQ-SFDCQRBFSA-N 2 0 353.304 3.496 20 0 FGADRP CSc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000647975970 718390963 /nfs/dbraw/zinc/39/09/63/718390963.db2.gz IHRCCDNWSIBMBO-BBWFWOEESA-N 2 0 361.555 3.447 20 0 FGADRP O=C(CC[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1)Nc1cc(F)cc(F)c1 ZINC000647978032 718391754 /nfs/dbraw/zinc/39/17/54/718391754.db2.gz LLLDLGNLQCEKJA-HUUCEWRRSA-N 2 0 351.441 3.005 20 0 FGADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@H+](Cc3ccc(OC(F)(F)F)cc3)C2)C1 ZINC000650706548 718717409 /nfs/dbraw/zinc/71/74/09/718717409.db2.gz NGIWJTARYGSDOU-ZMSDIMECSA-N 2 0 358.404 3.304 20 0 FGADRP COc1cc(C[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)cc(Cl)c1OC ZINC000650722590 718720636 /nfs/dbraw/zinc/72/06/36/718720636.db2.gz XMARWODZYYCWNU-OIISXLGYSA-N 2 0 368.905 3.218 20 0 FGADRP COc1ccc2nc(C[N@@H+]3CCCC[C@@H]3[C@H]3C[C@@H]([NH3+])CCO3)sc2c1 ZINC000650724009 718721261 /nfs/dbraw/zinc/72/12/61/718721261.db2.gz WUURVTBGCRRYCH-IAOVAPTHSA-N 2 0 361.511 3.166 20 0 FGADRP Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@H]2[NH2+]CCC2CC[NH2+]CC2)cc1 ZINC000650763431 718724630 /nfs/dbraw/zinc/72/46/30/718724630.db2.gz ZZRRSGOLLQGPNP-WOJBJXKFSA-N 2 0 364.555 3.059 20 0 FGADRP CC[N@H+](CCCNC(=O)N(C)[C@H]1CC[NH+](C(C)C)C1)C1CCCCC1 ZINC000651218228 718783077 /nfs/dbraw/zinc/78/30/77/718783077.db2.gz FRTUQMBISMGUOA-IBGZPJMESA-N 2 0 352.567 3.155 20 0 FGADRP Cc1cc(Br)c(C[NH2+][C@H]2CCN(C3CC[NH+](C)CC3)C2)s1 ZINC000651582466 718835111 /nfs/dbraw/zinc/83/51/11/718835111.db2.gz GMIPWZLIDISRDT-ZDUSSCGKSA-N 2 0 372.376 3.077 20 0 FGADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2CCCOc2cccc(Cl)c2)C1 ZINC000652362255 718936915 /nfs/dbraw/zinc/93/69/15/718936915.db2.gz BKSSGFALQXJPCT-NEWSRXKRSA-N 2 0 352.906 3.470 20 0 FGADRP O=C(Nc1ccc(SCC[NH+]2CCCC2)cc1)N[C@@H]1CCC[NH2+]CC1 ZINC000652614248 718967067 /nfs/dbraw/zinc/96/70/67/718967067.db2.gz SNWQEMDRHTXEDG-MRXNPFEDSA-N 2 0 362.543 3.138 20 0 FGADRP c1ccc(C[N@@H+]2CCc3nc(N4CCC(C5C[NH2+]C5)CC4)ccc3C2)cc1 ZINC001164615428 719036702 /nfs/dbraw/zinc/03/67/02/719036702.db2.gz MMXGSQKRKPAKDI-UHFFFAOYSA-N 2 0 362.521 3.076 20 0 FGADRP C[N@H+](Cc1ccc(N2CC[C@]3(C[NH2+]C[C@H]3c3ccccc3)C2)nc1)C1CC1 ZINC001164619200 719048247 /nfs/dbraw/zinc/04/82/47/719048247.db2.gz BZSKMEWJJNDLGQ-GMAHTHKFSA-N 2 0 362.521 3.259 20 0 FGADRP C[C@@H](O)C[NH+](Cc1cc(Cl)cc(C[N@@H+](C[C@@H](C)O)C2CC2)c1)C1CC1 ZINC000653903579 719109760 /nfs/dbraw/zinc/10/97/60/719109760.db2.gz ISTDKWBTZALAOG-HUUCEWRRSA-N 2 0 366.933 3.030 20 0 FGADRP C[C@H](O)C[NH+](Cc1cc(Cl)cc(C[N@@H+](C[C@H](C)O)C2CC2)c1)C1CC1 ZINC000653903578 719109904 /nfs/dbraw/zinc/10/99/04/719109904.db2.gz ISTDKWBTZALAOG-GJZGRUSLSA-N 2 0 366.933 3.030 20 0 FGADRP C[NH+](C)C[C@H](NC1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccc(Cl)cc1 ZINC000655765632 719336670 /nfs/dbraw/zinc/33/66/70/719336670.db2.gz IDSBPNHLNAVHEB-PMACEKPBSA-N 2 0 365.949 3.176 20 0 FGADRP Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@H]2[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)cc1 ZINC000655805336 719342261 /nfs/dbraw/zinc/34/22/61/719342261.db2.gz LWISIRQJMAYUHA-PIKOESSRSA-N 2 0 364.555 3.010 20 0 FGADRP C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655806425 719342420 /nfs/dbraw/zinc/34/24/20/719342420.db2.gz VKLRYRUVIMTKGM-INMHGKMJSA-N 2 0 351.922 3.007 20 0 FGADRP C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655807948 719342665 /nfs/dbraw/zinc/34/26/65/719342665.db2.gz XLYOJXFAAGQEKW-MCIONIFRSA-N 2 0 357.420 3.352 20 0 FGADRP C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+]CC1([NH3+])CCCC1 ZINC000656789020 719471013 /nfs/dbraw/zinc/47/10/13/719471013.db2.gz IBSXRVKLPDNDNS-GFCCVEGCSA-N 2 0 359.392 3.163 20 0 FGADRP CCO[C@@H]1C[C@H]([NH2+]CC2CC[NH+](C3CCOCC3)CC2)C12CCCC2 ZINC000658068780 719751002 /nfs/dbraw/zinc/75/10/02/719751002.db2.gz ZRTIVGMJUCLZFC-VQTJNVASSA-N 2 0 350.547 3.205 20 0 FGADRP COCCc1nc(C)c([C@@H](C)[NH2+]CC2CC[NH+](CC3CC3)CC2)s1 ZINC000658356218 719788479 /nfs/dbraw/zinc/78/84/79/719788479.db2.gz MYGNOXPAWQGYEZ-CQSZACIVSA-N 2 0 351.560 3.413 20 0 FGADRP CCC[N@H+](C)[C@H](CNC(=O)N(C)CC(C)(C)[NH3+])c1ccc(Cl)cc1 ZINC000659493309 719920181 /nfs/dbraw/zinc/92/01/81/719920181.db2.gz XYPHQXJCEQZSJP-MRXNPFEDSA-N 2 0 354.926 3.102 20 0 FGADRP CC[N@H+](CCC1CCN(C(=O)NCC[C@@H]([NH3+])C(C)C)CC1)CC(C)C ZINC000659622244 719929287 /nfs/dbraw/zinc/92/92/87/719929287.db2.gz PAQQTAAOCVHKAZ-LJQANCHMSA-N 2 0 354.583 3.149 20 0 FGADRP FC1(F)C[C@@H]1OCC[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000660624327 720085808 /nfs/dbraw/zinc/08/58/08/720085808.db2.gz ZURNANYOMNBDMM-SFHVURJKSA-N 2 0 350.453 3.399 20 0 FGADRP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1[nH+]c(C)cc3[nH]ccc31)C2 ZINC001164815405 720126959 /nfs/dbraw/zinc/12/69/59/720126959.db2.gz VJBLTGPAHCKLAL-DYESRHJHSA-N 2 0 354.498 3.056 20 0 FGADRP C[C@@]1(C2CC2)C[NH+](CCCCC[N@@H+]2CCO[C@](C)(C3CC3)C2)CCO1 ZINC000661166450 720200948 /nfs/dbraw/zinc/20/09/48/720200948.db2.gz AUJLBGFDGYXUMQ-SFTDATJTSA-N 2 0 350.547 3.159 20 0 FGADRP C[NH+](C)[C@@H](CNC(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1)c1ccc(Cl)cc1 ZINC000661505143 720267003 /nfs/dbraw/zinc/26/70/03/720267003.db2.gz KFXWSLJLWXMHQK-SJORKVTESA-N 2 0 366.937 3.115 20 0 FGADRP Cc1nc(-c2cc3c(s2)CC[N@H+](C[C@H]2CCC4(C[NH2+]C4)O2)C3)cs1 ZINC000662280733 720408892 /nfs/dbraw/zinc/40/88/92/720408892.db2.gz PMLLLLPZXVUICM-CQSZACIVSA-N 2 0 361.536 3.059 20 0 FGADRP COc1cccc(SCC[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)c1 ZINC000662285192 720410015 /nfs/dbraw/zinc/41/00/15/720410015.db2.gz ZHFFTNQTLXHJDB-IPELMVKDSA-N 2 0 350.528 3.148 20 0 FGADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2CCSc2ccc(F)cc2F)C1 ZINC000662284229 720410019 /nfs/dbraw/zinc/41/00/19/720410019.db2.gz MDIMAQNVPYWDJV-PVAVHDDUSA-N 2 0 356.482 3.418 20 0 FGADRP C[C@H](C(=O)NCc1ccc(Cl)cc1)[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662290758 720410448 /nfs/dbraw/zinc/41/04/48/720410448.db2.gz JQCQBYJZRPHSLG-QAPCUYQASA-N 2 0 363.933 3.056 20 0 FGADRP COc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000662313708 720414239 /nfs/dbraw/zinc/41/42/39/720414239.db2.gz XRIQEIXZEIVBAQ-CZUORRHYSA-N 2 0 353.894 3.127 20 0 FGADRP C[C@@H]1CCC[N@H+](Cc2nnc(-c3ccc(Cl)cc3)n2C)[C@@H]1CCC[NH3+] ZINC000662318331 720414896 /nfs/dbraw/zinc/41/48/96/720414896.db2.gz YEPUQCRWCNKPQC-RHSMWYFYSA-N 2 0 361.921 3.475 20 0 FGADRP C[NH+](C)[C@@H](CNC(=O)C[C@@H]1[NH2+]Cc2ccccc21)c1ccc(Cl)cc1 ZINC000662487284 720434002 /nfs/dbraw/zinc/43/40/02/720434002.db2.gz QDCHIQOELMUCPQ-OALUTQOASA-N 2 0 357.885 3.294 20 0 FGADRP CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)c1cccc2c1C[NH2+]C2 ZINC000662505546 720436266 /nfs/dbraw/zinc/43/62/66/720436266.db2.gz VQDHFECWCQQFJT-UHFFFAOYSA-N 2 0 357.420 3.026 20 0 FGADRP CCN(C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1)[C@H]1CC[N@H+](CC)C1 ZINC000663451459 720516355 /nfs/dbraw/zinc/51/63/55/720516355.db2.gz ROINEKKUYBCIMN-IRXDYDNUSA-N 2 0 364.559 3.011 20 0 FGADRP CCN(C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1)[C@H]1CC[N@H+](CC)C1 ZINC000663451457 720516387 /nfs/dbraw/zinc/51/63/87/720516387.db2.gz ROINEKKUYBCIMN-DLBZAZTESA-N 2 0 364.559 3.011 20 0 FGADRP CSc1ccc(NC(=O)NCCN(C)CCC[NH+](C)C)cc1Cl ZINC000666257049 720909718 /nfs/dbraw/zinc/90/97/18/720909718.db2.gz IKNGVVPIHOPJBB-UHFFFAOYSA-N 2 0 358.939 3.067 20 0 FGADRP Cc1[nH+]c(N2CCn3c(C[N@@H+](C)C(C)C)cnc3[C@H]2C)cc2[nH]ccc21 ZINC001164858863 720994050 /nfs/dbraw/zinc/99/40/50/720994050.db2.gz IPRUHOGZPRRHDX-OAHLLOKOSA-N 2 0 352.486 3.489 20 0 FGADRP Clc1ccc(OC[C@@H]2CCCO2)c(C[NH2+][C@@H]2CC23CC[NH2+]CC3)c1 ZINC000666953955 721004599 /nfs/dbraw/zinc/00/45/99/721004599.db2.gz LUNQSKAIGFMGAT-FUHWJXTLSA-N 2 0 350.890 3.130 20 0 FGADRP Cc1cccc(N(c2cc(C[NH+](C)C)ccn2)[C@@H]2CO[C@@]3(CC[NH2+]C3)C2)c1 ZINC001164777965 721329466 /nfs/dbraw/zinc/32/94/66/721329466.db2.gz RHKQDOHFUYIZJM-UNMCSNQZSA-N 2 0 366.509 3.111 20 0 FGADRP Cc1cc2[nH]ccc2c(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)[nH+]1 ZINC001164903478 721538922 /nfs/dbraw/zinc/53/89/22/721538922.db2.gz CZPCDXRIFPIEJE-SJLPKXTDSA-N 2 0 366.440 3.352 20 0 FGADRP CC[C@H](C[NH+]1CCCC1)NC(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000675175623 721735547 /nfs/dbraw/zinc/73/55/47/721735547.db2.gz HCSMUKLGBHXCAC-IAGOWNOFSA-N 2 0 364.559 3.059 20 0 FGADRP C[NH+](C)CCCOc1cnccc1C[NH2+][C@H]1Cc2ccc(Cl)cc2C1 ZINC000676064205 721784362 /nfs/dbraw/zinc/78/43/62/721784362.db2.gz KGTGJSQRPZRTGM-IBGZPJMESA-N 2 0 359.901 3.323 20 0 FGADRP C[C@@H]([NH2+]C[C@@H](CO)Cc1ccc(C(F)(F)F)cc1)C1CC[NH+](C)CC1 ZINC000678601075 721966937 /nfs/dbraw/zinc/96/69/37/721966937.db2.gz YLXUHHXDTAITKX-ZBFHGGJFSA-N 2 0 358.448 3.176 20 0 FGADRP C[NH+]1CCC(N2CC[C@H]([NH2+]Cc3ccc(F)c(Cl)c3Cl)C2)CC1 ZINC000683340708 722291072 /nfs/dbraw/zinc/29/10/72/722291072.db2.gz FULRNMPLDRDXES-ZDUSSCGKSA-N 2 0 360.304 3.391 20 0 FGADRP CC(C)[C@@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1cc(F)ccc1F ZINC000684553559 722346243 /nfs/dbraw/zinc/34/62/43/722346243.db2.gz RTBIMLJEOYAJJM-OXQOHEQNSA-N 2 0 351.485 3.420 20 0 FGADRP CC(C)[C@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1cc(F)ccc1F ZINC000684553563 722346259 /nfs/dbraw/zinc/34/62/59/722346259.db2.gz RTBIMLJEOYAJJM-UZLBHIALSA-N 2 0 351.485 3.420 20 0 FGADRP Cc1cc(C(F)(F)F)ccc1C[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000685454656 722385586 /nfs/dbraw/zinc/38/55/86/722385586.db2.gz NSWMXGIAIIKOGJ-UHFFFAOYSA-N 2 0 357.464 3.472 20 0 FGADRP O=C(CCCC[NH+]1CCCC1)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000729350883 722459081 /nfs/dbraw/zinc/45/90/81/722459081.db2.gz PHSPNXSEQINRLU-UHFFFAOYSA-N 2 0 361.555 3.440 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=S)Nc1cc(C)cc(C)c1 ZINC000751012609 722790531 /nfs/dbraw/zinc/79/05/31/722790531.db2.gz XQINUZHSFWTHDT-IBGZPJMESA-N 2 0 362.587 3.348 20 0 FGADRP CC1(C)CC([NH2+]C[C@@H](O)c2ccccc2Br)CC(C)(C)[NH2+]1 ZINC000751564720 722813667 /nfs/dbraw/zinc/81/36/67/722813667.db2.gz KLCSLAAURJKFNW-OAHLLOKOSA-N 2 0 355.320 3.381 20 0 FGADRP CCO[C@@H](CC[NH+](C)C)C[NH2+]Cc1sc2nc(C)nc(C)c2c1C ZINC000754047728 722924643 /nfs/dbraw/zinc/92/46/43/722924643.db2.gz PDOKWCWGZRSQLU-HNNXBMFYSA-N 2 0 350.532 3.063 20 0 FGADRP C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)NCCCCCCC[NH+]1CCCC1 ZINC000754374694 722936382 /nfs/dbraw/zinc/93/63/82/722936382.db2.gz IDOSVVSTRHJPCL-RTBURBONSA-N 2 0 352.567 3.014 20 0 FGADRP CC[NH+](CC)CCC[N@@H+]1C[C@@H]2CCC[C@H](NC(=O)OC(C)(C)C)[C@@H]2C1 ZINC000755047062 722949673 /nfs/dbraw/zinc/94/96/73/722949673.db2.gz DRQDVXXRERREQB-KSZLIROESA-N 2 0 353.551 3.344 20 0 FGADRP CC(C)CC[NH+](CCC(C)C)CN1C[C@]2(C[NH+]3CCC2CC3)OC1=O ZINC000790371185 723132284 /nfs/dbraw/zinc/13/22/84/723132284.db2.gz VPAXDFJTOSDYEX-FQEVSTJZSA-N 2 0 351.535 3.255 20 0 FGADRP C[C@H](CSC(C)(C)C)[NH2+][C@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC000766120651 723556882 /nfs/dbraw/zinc/55/68/82/723556882.db2.gz AENJUUYNQWJQMK-QRQLOZEOSA-N 2 0 350.572 3.379 20 0 FGADRP CC[N@@H+]1C[C@@H](C)N(C(=O)NCCCCCCC[NH+]2CCCC2)C[C@H]1C ZINC000766251775 723564808 /nfs/dbraw/zinc/56/48/08/723564808.db2.gz FIEUNJIRSBNXLV-RTBURBONSA-N 2 0 352.567 3.157 20 0 FGADRP C[C@@H]1C[C@@H](C)C[NH+](CCCC[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000769386192 723683945 /nfs/dbraw/zinc/68/39/45/723683945.db2.gz YJYPYJWHOPDQKQ-KURKYZTESA-N 2 0 353.551 3.344 20 0 FGADRP Cc1ncc(CC[NH2+]Cc2ccccc2N(C)C2CC[NH+](C)CC2)s1 ZINC000771981324 723747532 /nfs/dbraw/zinc/74/75/32/723747532.db2.gz VKJKOZSRDVFBJM-UHFFFAOYSA-N 2 0 358.555 3.314 20 0 FGADRP CC(C)(C)OC(=O)NC[C@H]1CCC[C@H]1[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000774495522 723899642 /nfs/dbraw/zinc/89/96/42/723899642.db2.gz JFPRCQBAYGZGPB-SJLPKXTDSA-N 2 0 351.535 3.144 20 0 FGADRP CC(C)(C)SCC[NH+]1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000801933792 724347631 /nfs/dbraw/zinc/34/76/31/724347631.db2.gz GEBAFNYQUJNPGB-UHFFFAOYSA-N 2 0 369.619 3.222 20 0 FGADRP C[C@@H](CNC(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)cc1)[NH+]1CCCCC1 ZINC000802012047 724353740 /nfs/dbraw/zinc/35/37/40/724353740.db2.gz HQGLEZWDWRSPTC-MAUKXSAKSA-N 2 0 366.937 3.116 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+]Cc2cc(Br)nn2C)C1 ZINC000785417988 724911431 /nfs/dbraw/zinc/91/14/31/724911431.db2.gz LYSZACHECYFATI-OKILXGFUSA-N 2 0 357.340 3.030 20 0 FGADRP CCC[NH+]1CCC([NH2+][C@H]2CCN(C(=O)OC(C)(C)C)CC[C@H]2C)CC1 ZINC000788500382 725068261 /nfs/dbraw/zinc/06/82/61/725068261.db2.gz BWCIRQPEUIVSTI-AEFFLSMTSA-N 2 0 353.551 3.486 20 0 FGADRP CSC1(C[NH2+][C@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2C)CC[NH+](C)CC1 ZINC000810253374 725300232 /nfs/dbraw/zinc/30/02/32/725300232.db2.gz SJPCSUMTQYPDNO-CVEARBPZSA-N 2 0 371.591 3.049 20 0 FGADRP CC[NH+]1CCC(C[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)CC[C@H]2C)CC1 ZINC000812718877 726806665 /nfs/dbraw/zinc/80/66/65/726806665.db2.gz PMAOLMVIKNYVQL-AEFFLSMTSA-N 2 0 353.551 3.344 20 0 FGADRP C[C@@H]([NH2+]CCCC[N@@H+]1CCCC[C@H]1C)C1CN(C(=O)OC(C)(C)C)C1 ZINC000816535011 727172481 /nfs/dbraw/zinc/17/24/81/727172481.db2.gz CBUOFOAXBVPLHQ-IAGOWNOFSA-N 2 0 353.551 3.486 20 0 FGADRP C[C@H]([NH2+]CCCC[N@@H+]1CCCC[C@H]1C)C1CN(C(=O)OC(C)(C)C)C1 ZINC000816535013 727172743 /nfs/dbraw/zinc/17/27/43/727172743.db2.gz CBUOFOAXBVPLHQ-SJORKVTESA-N 2 0 353.551 3.486 20 0 FGADRP C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1[NH2+]C1CCC([NH+](C)C)CC1 ZINC000817414050 727249063 /nfs/dbraw/zinc/24/90/63/727249063.db2.gz QTHHKHLWZKAEHC-AQEOSJORSA-N 2 0 353.551 3.484 20 0 FGADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]C[C@H](O)c2ccc(F)c(Br)c2)C1 ZINC000818984626 727334215 /nfs/dbraw/zinc/33/42/15/727334215.db2.gz JLZKGGSAJAKHNX-GUYCJALGSA-N 2 0 373.310 3.332 20 0 FGADRP C[C@H]([NH2+]C[C@@H](O)c1ccc(F)c(Br)c1)C(C)(C)C[NH+](C)C ZINC000819102184 727347657 /nfs/dbraw/zinc/34/76/57/727347657.db2.gz GWXSYULFNXQSPJ-XHDPSFHLSA-N 2 0 361.299 3.188 20 0 FGADRP C[C@@H]1C[C@H](C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)CCN1C(=O)OC(C)(C)C ZINC000823650042 729295904 /nfs/dbraw/zinc/29/59/04/729295904.db2.gz ZUWDLWYWLVGIJQ-BRWVUGGUSA-N 2 0 351.535 3.096 20 0 FGADRP C[N@H+](Cc1ccccc1NC(=O)[C@@H]1[C@H](C[NH3+])C1(F)F)C1CCCCC1 ZINC000876708454 736135257 /nfs/dbraw/zinc/13/52/57/736135257.db2.gz QMNOHNIIALDBNO-RDJZCZTQSA-N 2 0 351.441 3.230 20 0 FGADRP CC[NH+](CC)CCCC1CC[NH+](Cc2cc(-c3nn[nH]n3)cs2)CC1 ZINC000825412533 729382269 /nfs/dbraw/zinc/38/22/69/729382269.db2.gz QYMPLNVOGMXZMZ-UHFFFAOYSA-N 2 0 362.547 3.262 20 0 FGADRP [NH3+]Cc1cccc(C(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)c1 ZINC000825701689 729391962 /nfs/dbraw/zinc/39/19/62/729391962.db2.gz AEIXEDFRUALUND-LJQANCHMSA-N 2 0 357.885 3.366 20 0 FGADRP Cc1cc([C@@H]([NH3+])CC(=O)NCCCC[N@H+]2CCCC[C@@H]2C)cc(Cl)n1 ZINC000827103212 729424290 /nfs/dbraw/zinc/42/42/90/729424290.db2.gz GUILKUUOSWDOMA-RDJZCZTQSA-N 2 0 366.937 3.204 20 0 FGADRP Cc1cc([C@H]([NH3+])CC(=O)NCCC[NH+](C(C)C)C(C)C)cc(Cl)n1 ZINC000830944289 729604561 /nfs/dbraw/zinc/60/45/61/729604561.db2.gz YXIUFBXFWUTYAD-MRXNPFEDSA-N 2 0 354.926 3.058 20 0 FGADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000834566632 729814921 /nfs/dbraw/zinc/81/49/21/729814921.db2.gz PTLVZAFTUVTONT-BZSNNMDCSA-N 2 0 353.551 3.484 20 0 FGADRP [NH3+]CCc1ccc(C[NH2+]Cc2ccccc2I)cc1 ZINC000841031941 730204767 /nfs/dbraw/zinc/20/47/67/730204767.db2.gz CXYJZTSHRNDWAA-UHFFFAOYSA-N 2 0 366.246 3.082 20 0 FGADRP CCCCn1nc(C)c(C[NH+]2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)c1Cl ZINC000841103684 730211728 /nfs/dbraw/zinc/21/17/28/730211728.db2.gz IEXLXAKZUJMDJM-WMZOPIPTSA-N 2 0 368.953 3.363 20 0 FGADRP C[C@@H]([NH2+]CCCCCC[NH3+])c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000843343488 730609208 /nfs/dbraw/zinc/60/92/08/730609208.db2.gz VFMUTYDTNAHPRV-QGZVFWFLSA-N 2 0 367.559 3.031 20 0 FGADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@@H]2C[C@@H](C)CN(C(=O)OC(C)(C)C)C2)C1 ZINC000843399555 730615007 /nfs/dbraw/zinc/61/50/07/730615007.db2.gz KYYOJDWVIUMLJM-FGTMMUONSA-N 2 0 353.551 3.342 20 0 FGADRP FC1(F)C[C@@]12CCC[NH+](CCOCC[N@H+]1CCC[C@]3(CC3(F)F)C1)C2 ZINC000844438865 730718437 /nfs/dbraw/zinc/71/84/37/730718437.db2.gz TWCKZLBKOVSRHY-IYBDPMFKSA-N 2 0 364.427 3.245 20 0 FGADRP CCC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc(OC(F)(F)F)cc1 ZINC000849050925 731224392 /nfs/dbraw/zinc/22/43/92/731224392.db2.gz OOQMLTQLVUDERW-AWEZNQCLSA-N 2 0 358.408 3.074 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCc1nc2cc(Cl)ccc2s1 ZINC000849057680 731224817 /nfs/dbraw/zinc/22/48/17/731224817.db2.gz IYUAPWFOJAVVHO-CYBMUJFWSA-N 2 0 365.934 3.090 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1c(C)cc(Br)cc1C ZINC000849073300 731226146 /nfs/dbraw/zinc/22/61/46/731226146.db2.gz GHDKLIFSEWBXDM-OAHLLOKOSA-N 2 0 367.335 3.164 20 0 FGADRP C[C@]1(CNC(=[NH2+])NCCc2cccs2)CCC[N@@H+]1Cc1ccccc1 ZINC000849098300 731229045 /nfs/dbraw/zinc/22/90/45/731229045.db2.gz WHPVSMMHXFQFJO-HXUWFJFHSA-N 2 0 356.539 3.459 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000849108036 731230005 /nfs/dbraw/zinc/23/00/05/731230005.db2.gz VDAMUGVWBCNRDT-CJNGLKHVSA-N 2 0 356.436 3.407 20 0 FGADRP CCOC(=O)NC1CCC([NH2+]CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000850425562 731355798 /nfs/dbraw/zinc/35/57/98/731355798.db2.gz UQDKJDZIDVOLBK-LPOKXYRGSA-N 2 0 353.551 3.391 20 0 FGADRP CCOC(=O)NC1CCC([NH2+][C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)CC1 ZINC000850456628 731358895 /nfs/dbraw/zinc/35/88/95/731358895.db2.gz ASXFINDMZTWGOE-VEZWFGLTSA-N 2 0 351.535 3.286 20 0 FGADRP CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000853241464 731686710 /nfs/dbraw/zinc/68/67/10/731686710.db2.gz VMURLYDJISTQDW-RCCFBDPRSA-N 2 0 351.535 3.144 20 0 FGADRP C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1[NH2+]C[C@H]1CCCC[N@H+](C)C1 ZINC000858490778 732220123 /nfs/dbraw/zinc/22/01/23/732220123.db2.gz OHNQKNNUDKJFGT-KURKYZTESA-N 2 0 353.551 3.344 20 0 FGADRP CC(C)C[NH+]1CCC([NH2+]C[C@H](CC(F)F)NC(=O)OC(C)(C)C)CC1 ZINC000865410140 733193551 /nfs/dbraw/zinc/19/35/51/733193551.db2.gz JWBJYQMFVAYACA-HNNXBMFYSA-N 2 0 363.493 3.245 20 0 FGADRP C[C@@H]([NH2+][C@@H](C)CCN1CC[NH+](C)CC1)c1cc2c(ccnc2Cl)o1 ZINC000866340702 733337520 /nfs/dbraw/zinc/33/75/20/733337520.db2.gz IFMJRFBGVGAGDX-UONOGXRCSA-N 2 0 350.894 3.158 20 0 FGADRP CC(C)[NH+]1CCC(CC[NH2+][C@H](C)c2cccc(NS(C)(=O)=O)c2)CC1 ZINC000866467986 733354066 /nfs/dbraw/zinc/35/40/66/733354066.db2.gz WPCDDXPWUVHFTA-MRXNPFEDSA-N 2 0 367.559 3.219 20 0 FGADRP C[N@@H+]1CC[C@H]([NH2+][C@H]2CC[C@H](NC(=O)OC(C)(C)C)CC2)[C@H]2CCC[C@H]21 ZINC000866467778 733354184 /nfs/dbraw/zinc/35/41/84/733354184.db2.gz PZYIAVMCNLAVFS-HSFUPAIVSA-N 2 0 351.535 3.285 20 0 FGADRP Cc1cc([C@H]([NH3+])CC(=O)N2c3ccccc3[C@@H]([NH3+])C2(C)C)cc(Cl)n1 ZINC000867988505 733542908 /nfs/dbraw/zinc/54/29/08/733542908.db2.gz NEKWLPUYYJOPHS-RDTXWAMCSA-N 2 0 358.873 3.259 20 0 FGADRP C[NH+](C)C1(C)CCC([NH2+]C[C@H](O)c2cccc(Br)c2)CC1 ZINC000872229194 735605734 /nfs/dbraw/zinc/60/57/34/735605734.db2.gz OQMLBJSBGCQMDB-CGZBRXJRSA-N 2 0 355.320 3.335 20 0 FGADRP CCOc1cccc(F)c1C[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000873135462 735725054 /nfs/dbraw/zinc/72/50/54/735725054.db2.gz XLHPJVHCHNSCOV-UHFFFAOYSA-N 2 0 350.478 3.205 20 0 FGADRP OC[C@H]([NH2+]Cc1cc2c(s1)CC[NH2+]C2)c1cccc(C(F)(F)F)c1 ZINC000873216974 735738971 /nfs/dbraw/zinc/73/89/71/735738971.db2.gz ZLXCYVYVVSUESQ-HNNXBMFYSA-N 2 0 356.413 3.236 20 0 FGADRP COc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+][C@@H](C)C1CC[NH2+]CC1 ZINC000873220108 735739570 /nfs/dbraw/zinc/73/95/70/735739570.db2.gz JLFVJCWFIQATKR-OLZOCXBDSA-N 2 0 353.894 3.043 20 0 FGADRP CCOC(=O)C1([C@H](C)[NH2+]C[C@@H]2CC=CC[C@H]2C(F)(F)F)CC[NH2+]CC1 ZINC000873251828 735744073 /nfs/dbraw/zinc/74/40/73/735744073.db2.gz LMPOHMNJDMOXHH-SOUVJXGZSA-N 2 0 362.436 3.042 20 0 FGADRP COc1ccc2c(c1)[C@H]([NH2+]C[C@H]1CC3(CO1)CC[NH2+]CC3)CCCS2 ZINC000873290894 735747181 /nfs/dbraw/zinc/74/71/81/735747181.db2.gz BPABMXBDGNVPID-SJLPKXTDSA-N 2 0 362.539 3.371 20 0 FGADRP C[NH+]1CCN(C[C@@H]([NH2+]Cc2cccc(Cl)c2N)c2ccccc2)CC1 ZINC000876874733 736156883 /nfs/dbraw/zinc/15/68/83/736156883.db2.gz JRTDZGBNALXNFH-LJQANCHMSA-N 2 0 358.917 3.001 20 0 FGADRP C[NH+](C)CCCC[NH2+][C@@H]1CC[C@H]2[C@@H](CCCN2C(=O)OC(C)(C)C)C1 ZINC000876989406 736171486 /nfs/dbraw/zinc/17/14/86/736171486.db2.gz YDBWJLZYECIIQJ-KSZLIROESA-N 2 0 353.551 3.486 20 0 FGADRP C[NH+](C)C[C@@H](NC(=O)C=C1CC[NH2+]CC1)c1ccc(Cl)c(Cl)c1 ZINC000877053411 736180932 /nfs/dbraw/zinc/18/09/32/736180932.db2.gz MDLHHGBHYQXDLX-MRXNPFEDSA-N 2 0 356.297 3.022 20 0 FGADRP C[NH+](C)C[C@H](NC(=O)[C@H]1CC[C@H]([NH3+])CC1)c1ccc(Cl)c(Cl)c1 ZINC000877053891 736181241 /nfs/dbraw/zinc/18/12/41/736181241.db2.gz ZLGDIVKWDYPWMJ-RBOXIYTFSA-N 2 0 358.313 3.230 20 0 FGADRP C[S@](=O)CCC[NH2+]C[C@]1(C(C)(C)C)CC[N@H+](Cc2ccccc2)C1 ZINC000877051996 736181313 /nfs/dbraw/zinc/18/13/13/736181313.db2.gz QCRVPECTDCKQMU-YKSBVNFPSA-N 2 0 350.572 3.283 20 0 FGADRP C[C@@H]([NH2+]C1CC[NH+](CC(C)(C)O)CC1)c1cccc(OC(F)(F)F)c1 ZINC000877094223 736186789 /nfs/dbraw/zinc/18/67/89/736186789.db2.gz OQQFISRJRBYFDK-CYBMUJFWSA-N 2 0 360.420 3.471 20 0 FGADRP C[N@H+](CC1(CNC(=O)OC(C)(C)C)CCC1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000877518065 736677964 /nfs/dbraw/zinc/67/79/64/736677964.db2.gz RFDYXEWWEMSKHB-SJPCQFCGSA-N 2 0 351.535 3.238 20 0 FGADRP COCC[N@@H+](Cc1cc2c(ccnc2Cl)o1)CC1CC[NH+](C)CC1 ZINC000877664088 736701121 /nfs/dbraw/zinc/70/11/21/736701121.db2.gz GWIFAKCKTVSFCB-UHFFFAOYSA-N 2 0 351.878 3.271 20 0 FGADRP C([C@@H]1CC2(CO1)CCOCC2)[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000877959757 736750342 /nfs/dbraw/zinc/75/03/42/736750342.db2.gz SQYUEEVYVRRKHI-FQEVSTJZSA-N 2 0 350.547 3.160 20 0 FGADRP CCOC(=O)c1csc(CC2CC[NH+](CC[C@@H]3CCC[N@@H+]3C)CC2)n1 ZINC000880263245 737143825 /nfs/dbraw/zinc/14/38/25/737143825.db2.gz HTZMATLIYDMKBR-INIZCTEOSA-N 2 0 365.543 3.059 20 0 FGADRP CC(C)(C)OC(=O)N1CCC[C@H](C[NH+]2CCC(C)([NH+]3CCC3)CC2)C1 ZINC000880472946 737178084 /nfs/dbraw/zinc/17/80/84/737178084.db2.gz JPQOCBMAOKOKGO-QGZVFWFLSA-N 2 0 351.535 3.194 20 0 FGADRP C([NH2+][C@H]1CCOC2(CCOCC2)C1)[C@@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000885977132 739205832 /nfs/dbraw/zinc/20/58/32/739205832.db2.gz FFGZFSQWUPLCSF-PMACEKPBSA-N 2 0 350.547 3.349 20 0 FGADRP C[C@@H]1[C@H](C)OC[C@]12CC[C@H](C[NH2+]C1CC[NH+](C3CCCCC3)CC1)O2 ZINC000886336098 739246076 /nfs/dbraw/zinc/24/60/76/739246076.db2.gz MNRMMPRETNTODT-HRQSHJORSA-N 2 0 350.547 3.346 20 0 FGADRP CC1([NH+]2CCCC2)CCC([NH2+]Cc2ccc(CS(C)(=O)=O)cc2)CC1 ZINC000886507378 739263297 /nfs/dbraw/zinc/26/32/97/739263297.db2.gz IFEKRYDFNBGWJL-UHFFFAOYSA-N 2 0 364.555 3.118 20 0 FGADRP C[C@@H](c1nc2ccccc2s1)N1CCN(c2cc[nH+]cc2CO)CC1 ZINC000891586881 739917859 /nfs/dbraw/zinc/91/78/59/739917859.db2.gz KGJQFNWRECCTSM-AWEZNQCLSA-N 2 0 354.479 3.067 20 0 FGADRP CCC1([NH3+])CCN(C(=O)NC[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)CC1 ZINC000891596470 739919286 /nfs/dbraw/zinc/91/92/86/739919286.db2.gz CGRKYKXJEGOWFA-WBVHZDCISA-N 2 0 364.559 3.044 20 0 FGADRP F[C@H]1CC2(CC[C@@H]1[NH+]1CCC(C[NH+]3CCCCCC3)CC1)OCCO2 ZINC000891611734 739920572 /nfs/dbraw/zinc/92/05/72/739920572.db2.gz VDRFWAVRAUVFCU-OALUTQOASA-N 2 0 354.510 3.208 20 0 FGADRP C[NH+](C)CCCC1CC[NH+](C[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC000892122248 739966341 /nfs/dbraw/zinc/96/63/41/739966341.db2.gz XRLGOSJJHMAFAH-HDICACEKSA-N 2 0 353.551 3.344 20 0 FGADRP C[NH+](C)Cc1ccc(-c2ccccc2C[NH2+]C2CCS(=O)CC2)cc1 ZINC000892540476 740013869 /nfs/dbraw/zinc/01/38/69/740013869.db2.gz LBQZBEVRFOLZHY-UHFFFAOYSA-N 2 0 356.535 3.416 20 0 FGADRP CC[NH+](CC)CCCC1CCN(C(=O)N2CCC([NH3+])(CC)CC2)CC1 ZINC000892925159 740059061 /nfs/dbraw/zinc/05/90/61/740059061.db2.gz GLOSKGCERSHSTO-UHFFFAOYSA-N 2 0 352.567 3.144 20 0 FGADRP CSCc1ccc(C[NH+]2CCC(C)(C[NH+]3CCN(C)CC3)CC2)cc1 ZINC000893565086 742173788 /nfs/dbraw/zinc/17/37/88/742173788.db2.gz XHBXEQYQGLMCOU-UHFFFAOYSA-N 2 0 361.599 3.399 20 0 FGADRP CC(C)[C@H](C[NH2+]Cc1cc2ccnc(Cl)c2s1)N1CC[NH+](C)CC1 ZINC000894168246 742248000 /nfs/dbraw/zinc/24/80/00/742248000.db2.gz QEKDOCSNLHKGTM-INIZCTEOSA-N 2 0 366.962 3.311 20 0 FGADRP C[NH+]1CCC(C[NH2+][C@@H](CO)c2ccc(Cl)cc2C(F)(F)F)CC1 ZINC000894183250 742250132 /nfs/dbraw/zinc/25/01/32/742250132.db2.gz ZINDGLIKSGGDDA-HNNXBMFYSA-N 2 0 350.812 3.324 20 0 FGADRP C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CC[C@@H]3CCCC[NH+]32)[C@H]1c1cccs1 ZINC000900829720 743180430 /nfs/dbraw/zinc/18/04/30/743180430.db2.gz XNKVZTWGDCHEMD-DFEOGRTESA-N 2 0 361.555 3.264 20 0 FGADRP COCC1(C[NH2+][C@H](CCCC[NH3+])c2ccc(F)cc2F)CCOCC1 ZINC000902389406 743739991 /nfs/dbraw/zinc/73/99/91/743739991.db2.gz UHUJRDULYVDTFD-GOSISDBHSA-N 2 0 356.457 3.168 20 0 FGADRP C[C@H](C[NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1)c1ccc(Br)cc1 ZINC000902428571 743742710 /nfs/dbraw/zinc/74/27/10/743742710.db2.gz FSIGKJXTSYOSAF-XFKAJCMBSA-N 2 0 367.331 3.299 20 0 FGADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H](c1ccccc1F)C1CCOCC1 ZINC000903111171 743805868 /nfs/dbraw/zinc/80/58/68/743805868.db2.gz USZKABMCICJUGT-YLJYHZDGSA-N 2 0 352.494 3.240 20 0 FGADRP C[C@H](C(=O)N(c1nccs1)C1CCCCC1)[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903496303 743856414 /nfs/dbraw/zinc/85/64/14/743856414.db2.gz IZGIBCUZEAXFNC-BZUAXINKSA-N 2 0 364.559 3.114 20 0 FGADRP COC[C@@H]([NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cccc(Br)c1 ZINC000903937061 743901092 /nfs/dbraw/zinc/90/10/92/743901092.db2.gz AOKMDNATGLLUHE-WPENSMPRSA-N 2 0 353.304 3.257 20 0 FGADRP C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]CC[C@@H]1C[NH2+]C[C@H]1C ZINC000903973374 743907191 /nfs/dbraw/zinc/90/71/91/743907191.db2.gz AVVOOQHJTFTUAS-MGPQQGTHSA-N 2 0 357.420 3.258 20 0 FGADRP Cc1nn(-c2ccc(Br)cc2)cc1C[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000904405711 743952836 /nfs/dbraw/zinc/95/28/36/743952836.db2.gz NASVKOWSBGFRKC-AWEZNQCLSA-N 2 0 363.303 3.114 20 0 FGADRP [NH3+]CC1(c2ccccc2)CC[NH+](Cc2cnc([C@H]3CCCO3)s2)CC1 ZINC000904459861 743956765 /nfs/dbraw/zinc/95/67/65/743956765.db2.gz ZALMLAHWOOWROO-GOSISDBHSA-N 2 0 357.523 3.487 20 0 FGADRP C[C@@](O)(C[NH2+]C1CCC([NH+]2CCCCC2)CC1)C(F)(F)C(F)(F)F ZINC000905152997 743996471 /nfs/dbraw/zinc/99/64/71/743996471.db2.gz GSOWMLZHBZLNNG-JXQTWKCFSA-N 2 0 358.395 3.322 20 0 FGADRP O=C(Nc1ccc(SCC[NH+]2CCCCC2)cc1)C12CC[NH+](CC1)C2 ZINC000911543875 757181397 /nfs/dbraw/zinc/18/13/97/757181397.db2.gz ZHKKSIYVOJCZGI-UHFFFAOYSA-N 2 0 359.539 3.299 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=S)NC[C@H]1CCC[N@@H+]1CC)c1ccsc1 ZINC000915126713 757883711 /nfs/dbraw/zinc/88/37/11/757883711.db2.gz LLKHGRBEYYEXJH-SJORKVTESA-N 2 0 368.616 3.079 20 0 FGADRP CC(C)[C@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1ccc(C(F)(F)F)cc1)C2 ZINC000922386562 758909236 /nfs/dbraw/zinc/90/92/36/758909236.db2.gz ICYHLNQZDXQZAG-BRSBDYLESA-N 2 0 356.432 3.275 20 0 FGADRP CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1csc(Br)c1)C2 ZINC000922386057 758909418 /nfs/dbraw/zinc/90/94/18/758909418.db2.gz DZKZXSQLQFMUKN-LUYZLQTOSA-N 2 0 373.360 3.080 20 0 FGADRP CC(C)[C@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1ccc(CSC(F)F)o1)C2 ZINC000922386755 758909547 /nfs/dbraw/zinc/90/95/47/758909547.db2.gz IHGWDKNHIQNPEE-KONPQCLYSA-N 2 0 374.497 3.305 20 0 FGADRP CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1cc(Br)cs1)C2 ZINC000922385292 758909566 /nfs/dbraw/zinc/90/95/66/758909566.db2.gz ADXWLKUOVHNEMK-LVQVYYBASA-N 2 0 373.360 3.080 20 0 FGADRP CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3cccc(O)c3Cl)C2)[C@@H]1C(C)C ZINC000922392790 758912996 /nfs/dbraw/zinc/91/29/96/758912996.db2.gz HFZITNCXAWMMDX-JZGRTCEGSA-N 2 0 352.906 3.005 20 0 FGADRP CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3ccc(Br)o3)C2)[C@H]1C(C)C ZINC000922393685 758913648 /nfs/dbraw/zinc/91/36/48/758913648.db2.gz SDQFGRFCEKSDLB-SRABZTEZSA-N 2 0 371.319 3.002 20 0 FGADRP C[C@@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000923488978 759130596 /nfs/dbraw/zinc/13/05/96/759130596.db2.gz VNEXPWAABHETDC-WDEREUQCSA-N 2 0 363.811 3.357 20 0 FGADRP C[C@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000923488338 759130883 /nfs/dbraw/zinc/13/08/83/759130883.db2.gz RZYWAAGPKFLYHP-VXGBXAGGSA-N 2 0 354.376 3.487 20 0 FGADRP COc1cccc(-c2nc(C[N@@H+]3CC[C@@H](C[NH3+])[C@H](C)C3)cs2)c1OC ZINC000923498769 759132449 /nfs/dbraw/zinc/13/24/49/759132449.db2.gz PVSXTJMVQMLPJD-KGLIPLIRSA-N 2 0 361.511 3.244 20 0 FGADRP C[C@@H](C[NH2+][C@H](CCC[NH3+])c1ccccc1)c1ccc(S(C)(=O)=O)cc1 ZINC000925731412 759527092 /nfs/dbraw/zinc/52/70/92/759527092.db2.gz CDDJMICBLLSCTJ-OXJNMPFZSA-N 2 0 360.523 3.263 20 0 FGADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]Cc1cc2cc(Br)ccc2o1 ZINC000925758130 759533302 /nfs/dbraw/zinc/53/33/02/759533302.db2.gz BKWJPYVLPRIMPG-NZVBXONLSA-N 2 0 353.260 3.037 20 0 FGADRP [NH3+]C1CCN(CC[NH2+][C@H]2CCCOc3c(Cl)c(Cl)ccc32)CC1 ZINC000925814145 759549780 /nfs/dbraw/zinc/54/97/80/759549780.db2.gz GWTPCUCETBFYKK-HNNXBMFYSA-N 2 0 358.313 3.220 20 0 FGADRP C[C@@H](c1nc2ccccc2s1)[C@H](C)[NH2+]CCCCCN1CC[NH2+]CC1 ZINC000925842586 759555922 /nfs/dbraw/zinc/55/59/22/759555922.db2.gz AYIDTUUEMLMPPZ-SJORKVTESA-N 2 0 360.571 3.453 20 0 FGADRP C[C@@H]([NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1cc(Cl)cc(Cl)c1 ZINC000925850614 759558548 /nfs/dbraw/zinc/55/85/48/759558548.db2.gz KLZIKMIUPDWMKI-ABAIWWIYSA-N 2 0 357.281 3.329 20 0 FGADRP [NH3+][C@@H]1CC[C@H](C[NH2+][C@H](c2ccc(Br)cc2)[C@@H]2CCCO2)C1 ZINC000925881998 759565763 /nfs/dbraw/zinc/56/57/63/759565763.db2.gz IFFXEABJZPMNCA-NKKGCODLSA-N 2 0 353.304 3.386 20 0 FGADRP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO)C1(Br)CC1 ZINC000926126899 759658638 /nfs/dbraw/zinc/65/86/38/759658638.db2.gz SOJTXJFLSJGVKA-WMLDXEAASA-N 2 0 367.331 3.049 20 0 FGADRP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]C[C@@H]3CCC4(CCOCC4)O3)CC2)C1 ZINC000927012471 759877031 /nfs/dbraw/zinc/87/70/31/759877031.db2.gz HTSQAIBRJGKROK-RLLQIKCJSA-N 2 0 350.547 3.347 20 0 FGADRP CCOC(=O)C(F)(F)[C@@H]1CC[C@@H]([NH2+]C2CCC(C)([NH+]3CCC3)CC2)C1 ZINC000927037349 759879776 /nfs/dbraw/zinc/87/97/76/759879776.db2.gz JFDFIWYTNNDDFT-JBCIKUTRSA-N 2 0 358.473 3.350 20 0 FGADRP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+][C@H]2C[C@H](O)C23CCOCC3)CC1 ZINC000927157829 759909272 /nfs/dbraw/zinc/90/92/72/759909272.db2.gz XVEVXEBVZMDAAM-ROUUACIJSA-N 2 0 352.563 3.185 20 0 FGADRP OCC1([NH2+]CC2CC2)CCN(C[C@H]2CCC3(CCCCCC3)O2)CC1 ZINC000930672559 760667816 /nfs/dbraw/zinc/66/78/16/760667816.db2.gz AROWBMVGQBXGRK-LJQANCHMSA-N 2 0 350.547 3.085 20 0 FGADRP CO[C@@H](CN1CCC([N@@H+]2CCCOCC2)CC1)c1ccc(Cl)cc1 ZINC000931286741 760817255 /nfs/dbraw/zinc/81/72/55/760817255.db2.gz IKTQTGGHQFDCFG-IBGZPJMESA-N 2 0 352.906 3.214 20 0 FGADRP C[C@@H]([NH2+]C1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1)c1ccccc1Cl ZINC000996603574 765019239 /nfs/dbraw/zinc/01/92/39/765019239.db2.gz PIZZZRLTJZJFRQ-IIDMSEBBSA-N 2 0 363.933 3.322 20 0 FGADRP CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@H]1CCC[N@H+](Cc2ccsc2)CC1 ZINC000998013177 765091199 /nfs/dbraw/zinc/09/11/99/765091199.db2.gz PSQAHBULGFWSLI-NZSAHSFTSA-N 2 0 363.571 3.291 20 0 FGADRP C[C@@H]1[C@H](C(=O)NCC2CC[NH+](Cc3ccc(Cl)cc3)CC2)CC[N@@H+]1C ZINC001001420359 765286987 /nfs/dbraw/zinc/28/69/87/765286987.db2.gz IUPFCSYNNYPMOA-DNVCBOLYSA-N 2 0 363.933 3.008 20 0 FGADRP CC[C@@H]1[C@@H](C(=O)NC2CC[NH+](Cc3cccc(Cl)c3)CC2)CC[N@@H+]1C ZINC001002859247 765349085 /nfs/dbraw/zinc/34/90/85/765349085.db2.gz MXZJKMGNAGVEPF-RBUKOAKNSA-N 2 0 363.933 3.151 20 0 FGADRP C[C@@H]1[C@H](C(=O)N(C)C2CC[NH+](Cc3ccccc3Cl)CC2)CC[N@@H+]1C ZINC001005406540 765468627 /nfs/dbraw/zinc/46/86/27/765468627.db2.gz DSBZURUGGBBJBC-CRAIPNDOSA-N 2 0 363.933 3.103 20 0 FGADRP C[C@@H]1[C@H](C(=O)N2CC[C@H]([NH2+]Cc3ccc(Cl)cc3Cl)C2)CC[N@@H+]1C ZINC001018866935 765846161 /nfs/dbraw/zinc/84/61/61/765846161.db2.gz DOLRWIGPZZLAJZ-UHOFOFEASA-N 2 0 370.324 3.024 20 0 FGADRP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3cc(Cl)ccc3Cl)C2)CC[N@@H+]1C ZINC001020170921 765866143 /nfs/dbraw/zinc/86/61/43/765866143.db2.gz DDCKRTOVFPBZST-RAEVTNRLSA-N 2 0 370.324 3.070 20 0 FGADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H]([NH2+][C@@H](C)c3ccc(Cl)cc3)C2)CC[N@@H+]1C ZINC001020174901 765866734 /nfs/dbraw/zinc/86/67/34/765866734.db2.gz XCCSCBIWSWCQSJ-AUEKSGIPSA-N 2 0 363.933 3.368 20 0 FGADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H]([NH2+][C@@H](C)c3cccc(Cl)c3)C2)CC[N@@H+]1C ZINC001020174607 765866887 /nfs/dbraw/zinc/86/68/87/765866887.db2.gz JBSMYDPIRBHVRG-AUEKSGIPSA-N 2 0 363.933 3.368 20 0 FGADRP CC[C@@H]1[C@@H](C(=O)N2CC[C@H](C[NH2+]Cc3ccc(Cl)s3)C2)CC[N@@H+]1C ZINC001026855572 766083379 /nfs/dbraw/zinc/08/33/79/766083379.db2.gz JUFSECPAJMVBTC-VNQPRFMTSA-N 2 0 369.962 3.070 20 0 FGADRP CC[C@@H]1[C@@H](C(=O)N2CC[C@H](C[NH+](C)Cc3csc(C)c3)C2)CC[N@@H+]1C ZINC001029742752 766151163 /nfs/dbraw/zinc/15/11/63/766151163.db2.gz YFAQAKCGXCLZOP-NZSAHSFTSA-N 2 0 363.571 3.067 20 0 FGADRP CC[C@@H]1[C@@H](C(=O)N[C@@]2(C)CC[NH+](Cc3cc(C)sc3C)C2)CC[N@@H+]1C ZINC001046334424 766587236 /nfs/dbraw/zinc/58/72/36/766587236.db2.gz MSRLFEZKUGKTCO-NSHGMRRFSA-N 2 0 363.571 3.176 20 0 FGADRP COc1ccc2c(c1)OCCC[C@H]2[NH2+]Cc1ccnc(OCC[NH+](C)C)c1 ZINC000359977940 210202275 /nfs/dbraw/zinc/20/22/75/210202275.db2.gz XTRIJKJZNFICNB-LJQANCHMSA-N 2 0 371.481 3.034 20 0 FGADRP Brc1ccc2c(c1)C=C(C[NH2+]C[C@H]1CC[N@@H+](C3CC3)C1)CO2 ZINC000102421872 257350620 /nfs/dbraw/zinc/35/06/20/257350620.db2.gz SFESDXLGVJJLJE-CYBMUJFWSA-N 2 0 363.299 3.299 20 0 FGADRP C[C@H](CNCc1ccc(Br)c(Br)c1)C[NH+](C)C ZINC000380101586 499543028 /nfs/dbraw/zinc/54/30/28/499543028.db2.gz XKJRLSLGPVSBRS-SNVBAGLBSA-N 2 0 364.125 3.499 20 0 FGADRP CC[C@@H](C)[N@H+](C)CCNC(=O)NC[C@H]1CCCC[NH+](Cc2ccccc2)C1 ZINC000573651579 505587575 /nfs/dbraw/zinc/58/75/75/505587575.db2.gz KPPBWUZYQLRUJQ-TZIWHRDSSA-N 2 0 374.573 3.318 20 0 FGADRP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)Nc2ccc3c(c2)C[NH2+]CCO3)C1 ZINC000573666832 505591825 /nfs/dbraw/zinc/59/18/25/505591825.db2.gz VXPHBSBIGAUDGL-INIZCTEOSA-N 2 0 374.529 3.191 20 0 FGADRP CC(C)N(Cc1cc(Br)ccc1F)C[C@H](O)C[N@H+](C)C1CC1 ZINC000573730559 505606310 /nfs/dbraw/zinc/60/63/10/505606310.db2.gz BXANOHUHESVCQA-MRXNPFEDSA-N 2 0 373.310 3.254 20 0 FGADRP CC(C)[N@H+](C)CC1CCN(C(=O)N[C@H](C)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000576898305 505619363 /nfs/dbraw/zinc/61/93/63/505619363.db2.gz DSRDGSRZLMKASB-NQIIRXRSSA-N 2 0 374.573 3.440 20 0 FGADRP Cc1ccc(OC[C@H](O)C[NH2+]Cc2ccc(F)c(C[NH+](C)C)c2)c(C)c1 ZINC000576936189 505628154 /nfs/dbraw/zinc/62/81/54/505628154.db2.gz LNXUVHBJXAHWBR-LJQANCHMSA-N 2 0 360.473 3.034 20 0 FGADRP [NH3+][C@@H]1CCCC[C@@H]1CC(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000573839711 505633066 /nfs/dbraw/zinc/63/30/66/505633066.db2.gz GLBJAZWKCIYHFN-IEBWSBKVSA-N 2 0 361.555 3.124 20 0 FGADRP C[NH+](C)CCCN(CCC[NH+](C)C)Cc1c(F)cccc1Br ZINC000573845250 505633687 /nfs/dbraw/zinc/63/36/87/505633687.db2.gz LBIKQGXKCPXKCD-UHFFFAOYSA-N 2 0 374.342 3.294 20 0 FGADRP C[NH+](C)Cc1cc(CNC(=O)[C@H]2CC[N@H+](Cc3ccccc3)C2)ccc1F ZINC000568199055 505641937 /nfs/dbraw/zinc/64/19/37/505641937.db2.gz OWXQEBIIBBFLDA-IBGZPJMESA-N 2 0 369.484 3.026 20 0 FGADRP C[C@@H]([NH2+]C1(CNC(=O)N2CC[C@](C)(C[NH3+])C2)CCCC1)c1ccccc1 ZINC000573905525 505648581 /nfs/dbraw/zinc/64/85/81/505648581.db2.gz YTNYZRODMDBMLZ-YLJYHZDGSA-N 2 0 358.530 3.030 20 0 FGADRP Cc1ncc2n1C[C@@H](C(=O)N[C@H](C[N@H+](C)Cc1ccccc1)C(C)C)CC2 ZINC000580083219 505674524 /nfs/dbraw/zinc/67/45/24/505674524.db2.gz KTBJCURVHTYQJN-PZJWPPBQSA-N 2 0 368.525 3.027 20 0 FGADRP CSc1ccc(OC[C@H](O)C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)cc1 ZINC000574019064 505675311 /nfs/dbraw/zinc/67/53/11/505675311.db2.gz AOAURPLYLZSQAB-GOSISDBHSA-N 2 0 366.571 3.200 20 0 FGADRP CC[NH+]1CCC(NC(=O)NCc2ccccc2C[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000047978699 493768274 /nfs/dbraw/zinc/76/82/74/493768274.db2.gz TVWINQMTJUYAOD-GOSISDBHSA-N 2 0 372.557 3.202 20 0 FGADRP CC[NH+](CC)C[C@@H]1CC[N@H+](CCC(=O)Nc2cc(Cl)ccc2OC)C1 ZINC000076003046 493808318 /nfs/dbraw/zinc/80/83/18/493808318.db2.gz RPASNPOGEAYKMR-HNNXBMFYSA-N 2 0 367.921 3.341 20 0 FGADRP C[C@@H]1CC[N@H+](CCOc2ccc(NC(=O)C[C@H]3CCCC[C@@H]3[NH3+])cc2)C1 ZINC000568387000 505682522 /nfs/dbraw/zinc/68/25/22/505682522.db2.gz JTMLYGGFTLZOPF-HLIPFELVSA-N 2 0 359.514 3.253 20 0 FGADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCC(=O)Nc2cc(Cl)ccc2OC)[C@H](C)C1 ZINC000081095517 493830775 /nfs/dbraw/zinc/83/07/75/493830775.db2.gz CBCSJPHYZLMAGG-RHSMWYFYSA-N 2 0 367.921 3.339 20 0 FGADRP C[N@H+](CCNC(=O)C1CC[NH+](CC2CCCC2)CC1)Cc1ccccc1 ZINC000081156061 493839308 /nfs/dbraw/zinc/83/93/08/493839308.db2.gz IRVWNLGDECVGEK-UHFFFAOYSA-N 2 0 357.542 3.137 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(Cl)cc1F ZINC000076330842 493866807 /nfs/dbraw/zinc/86/68/07/493866807.db2.gz GUVYRWAFCYXHOR-HNNXBMFYSA-N 2 0 370.900 3.359 20 0 FGADRP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+]1CCC[C@H](C)CC1 ZINC000068829392 493880146 /nfs/dbraw/zinc/88/01/46/493880146.db2.gz DZQDSBJCOZESET-OALUTQOASA-N 2 0 357.542 3.278 20 0 FGADRP CC(C)(C)[N@@H+]1CCCN(C(=O)N[C@@H]2CCC[NH+](Cc3ccccc3)C2)CC1 ZINC000060546921 493943573 /nfs/dbraw/zinc/94/35/73/493943573.db2.gz WRRJZYDYRYXDLJ-HXUWFJFHSA-N 2 0 372.557 3.167 20 0 FGADRP CC(C)[NH+](CCNC(=O)NCC(C)(C)[N@@H+]1CCc2ccccc2C1)C(C)C ZINC000060955432 493960749 /nfs/dbraw/zinc/96/07/49/493960749.db2.gz SJJXXLZRIRYRQA-UHFFFAOYSA-N 2 0 374.573 3.241 20 0 FGADRP C[NH+](C)CCOc1ccc(C[NH2+]C[C@@H](c2ccco2)N2CCCC2)cc1 ZINC000069645226 493991520 /nfs/dbraw/zinc/99/15/20/493991520.db2.gz IVBQPEUDADDIDN-FQEVSTJZSA-N 2 0 357.498 3.147 20 0 FGADRP CCCC[N@H+](C)CC1CC[NH+](CC(=O)NCc2cccc(Cl)c2)CC1 ZINC000052209779 494011597 /nfs/dbraw/zinc/01/15/97/494011597.db2.gz PXQQFYVQSMVXTC-UHFFFAOYSA-N 2 0 365.949 3.400 20 0 FGADRP CC(C)[C@@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1nnc2ccccn21 ZINC000577265880 505697768 /nfs/dbraw/zinc/69/77/68/505697768.db2.gz CPJGSFDNEDGMBI-LJQANCHMSA-N 2 0 350.470 3.080 20 0 FGADRP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@H+]2CCC[C@@H]2C(C)C)CC1 ZINC000063619096 494071107 /nfs/dbraw/zinc/07/11/07/494071107.db2.gz MSVVZKHCFJQRMC-OAQYLSRUSA-N 2 0 357.542 3.150 20 0 FGADRP CC[N@H+](C)Cc1cccc(CNC(=O)NC[C@H](C)C[NH+]2CCCCC2)c1 ZINC000064225346 494107474 /nfs/dbraw/zinc/10/74/74/494107474.db2.gz YNYFLYWXZLNVPZ-SFHVURJKSA-N 2 0 360.546 3.060 20 0 FGADRP C[C@@H](NC(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1)C(C)(C)C[NH+](C)C ZINC000085387477 494118822 /nfs/dbraw/zinc/11/88/22/494118822.db2.gz STEPAXXIZWRKPP-CVEARBPZSA-N 2 0 366.575 3.161 20 0 FGADRP Cc1cc(C[NH3+])cc(NC(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)c1 ZINC000571313484 505704593 /nfs/dbraw/zinc/70/45/93/505704593.db2.gz CGHSYTPEXQYWJU-FQEVSTJZSA-N 2 0 352.482 3.240 20 0 FGADRP CC(C)[NH+](CCNC(=O)N[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1)C(C)C ZINC000054718329 494264606 /nfs/dbraw/zinc/26/46/06/494264606.db2.gz YJPNKPYRZDKPCA-AZUAARDMSA-N 2 0 360.546 3.240 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1CCNC(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000043231290 494277196 /nfs/dbraw/zinc/27/71/96/494277196.db2.gz ZPJQUTFCAUIHRI-SJORKVTESA-N 2 0 364.559 3.059 20 0 FGADRP C[NH+](C)CCOc1cnccc1C[NH2+]Cc1cccc(-c2ccncc2)c1 ZINC000580239165 505711292 /nfs/dbraw/zinc/71/12/92/505711292.db2.gz PKMIYMIZCCVTKV-UHFFFAOYSA-N 2 0 362.477 3.374 20 0 FGADRP Cc1ccc([C@H](CNC(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)[NH+](C)C)cc1 ZINC000078523138 494313440 /nfs/dbraw/zinc/31/34/40/494313440.db2.gz SSCZEDVZGLAYOW-QUCCMNQESA-N 2 0 360.546 3.017 20 0 FGADRP CSC1(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CC[NH+](C)CC1 ZINC000580250754 505713186 /nfs/dbraw/zinc/71/31/86/505713186.db2.gz NOAHFRFHIPMUPF-QUCCMNQESA-N 3 0 361.599 3.457 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1c[nH]nc1-c1cccc(C)c1 ZINC000580259589 505715064 /nfs/dbraw/zinc/71/50/64/505715064.db2.gz OUEPKVQQWNKHOU-OAQYLSRUSA-N 2 0 369.557 3.233 20 0 FGADRP CC(C)C[NH+]1CCC(NC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000078953628 494382907 /nfs/dbraw/zinc/38/29/07/494382907.db2.gz YOHCDMBGPTWWGU-UHFFFAOYSA-N 2 0 372.557 3.202 20 0 FGADRP Cc1c[nH+]ccc1N1CCC(C(=O)N(CC[NH+](C)C)C2CCCCC2)CC1 ZINC000073567971 494392228 /nfs/dbraw/zinc/39/22/28/494392228.db2.gz JQRVMUHCOBQKDQ-UHFFFAOYSA-N 2 0 372.557 3.329 20 0 FGADRP C[C@H]1Cc2ccccc2[C@@H]1[NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000090038577 494431265 /nfs/dbraw/zinc/43/12/65/494431265.db2.gz SNNPHSPICPMUPZ-HRAATJIYSA-N 2 0 351.494 3.001 20 0 FGADRP CC[C@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)c1ccc(OC)cc1 ZINC000090038595 494431338 /nfs/dbraw/zinc/43/13/38/494431338.db2.gz OYSCXGAOZGCDSF-NRFANRHFSA-N 2 0 369.509 3.228 20 0 FGADRP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H](C)C1)C(=O)NCC(F)(F)F ZINC000079303712 494432757 /nfs/dbraw/zinc/43/27/57/494432757.db2.gz AEHJIOBGJZHYCO-CABCVRRESA-N 2 0 371.447 3.075 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)NCCC1CC[NH+](CC)CC1)c1ccco1 ZINC000073898218 494445477 /nfs/dbraw/zinc/44/54/77/494445477.db2.gz LNQLQEVDFQOCTC-SFHVURJKSA-N 2 0 364.534 3.084 20 0 FGADRP CCCC[NH+]1CCC(NC(=O)N2CC[C@@H]([N@H+](C)Cc3ccccc3)C2)CC1 ZINC000073967686 494457818 /nfs/dbraw/zinc/45/78/18/494457818.db2.gz NHXJMEQINSRSJT-OAQYLSRUSA-N 2 0 372.557 3.167 20 0 FGADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)N2CC[C@H]([NH+](C)Cc3ccccc3)C2)C1 ZINC000074104299 494481981 /nfs/dbraw/zinc/48/19/81/494481981.db2.gz WVOJFJFJMKFZSQ-RTWAWAEBSA-N 2 0 372.557 3.023 20 0 FGADRP C[NH+](C)Cc1c2ccccc2oc1C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000074197831 494496291 /nfs/dbraw/zinc/49/62/91/494496291.db2.gz ANDXZWXZGIUKIC-UHFFFAOYSA-N 2 0 355.482 3.195 20 0 FGADRP C[C@H]([NH2+]C(C)(C)CNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1ccccc1 ZINC000074211008 494498421 /nfs/dbraw/zinc/49/84/21/494498421.db2.gz MIDRDPISRUCCQX-OHSMVPPVSA-N 2 0 372.557 3.430 20 0 FGADRP CC[NH+](CC)[C@H]1CCN(C(=O)NCC(C)(C)[NH2+][C@H](C)c2ccccc2)C1 ZINC000074210888 494498430 /nfs/dbraw/zinc/49/84/30/494498430.db2.gz HYWBXVOXBPVEDQ-MJGOQNOKSA-N 2 0 360.546 3.242 20 0 FGADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)NC[C@@H]2CCC[NH+]2Cc2ccccc2)C1 ZINC000074265200 494507045 /nfs/dbraw/zinc/50/70/45/494507045.db2.gz UINAKJNJJNZVTJ-SFTDATJTSA-N 2 0 372.557 3.024 20 0 FGADRP C[NH+](C)Cc1cccc(CNC(=O)NC[C@@H](C2CCCCC2)[NH+](C)C)c1 ZINC000046313279 494514311 /nfs/dbraw/zinc/51/43/11/494514311.db2.gz GMHGKAZFGYERPQ-FQEVSTJZSA-N 2 0 360.546 3.058 20 0 FGADRP CSC1(C[NH2+]C2CC[NH+]([C@H]3CCC[C@H](C)C3)CC2)CC[NH+](C)CC1 ZINC000577430106 505725364 /nfs/dbraw/zinc/72/53/64/505725364.db2.gz HUOCANZGANJHIW-HKUYNNGSSA-N 3 0 353.620 3.447 20 0 FGADRP C[NH+](C)CCC1CC[NH+](C[C@H](O)COc2ccc(C(C)(C)C)cc2)CC1 ZINC000056523099 494519609 /nfs/dbraw/zinc/51/96/09/494519609.db2.gz NVYTWABNCQHYCC-FQEVSTJZSA-N 2 0 362.558 3.388 20 0 FGADRP C[C@@H](C[NH2+][C@@H](C)Cc1ccc(F)cc1Br)CN1CCOCC1 ZINC000577437470 505726625 /nfs/dbraw/zinc/72/66/25/505726625.db2.gz CWIYQAAWRXBOOG-KBPBESRZSA-N 2 0 373.310 3.077 20 0 FGADRP CCOc1ccc([C@@H](C)[NH2+]C[C@H](C)CN2CC[NH+](C)CC2)cc1OCC ZINC000121072041 494579713 /nfs/dbraw/zinc/57/97/13/494579713.db2.gz QAOZIZXGPCZPMT-ZWKOTPCHSA-N 2 0 363.546 3.018 20 0 FGADRP CC(C)CC[NH+]1CCC(CNC(=O)NCc2cccc(C[NH+](C)C)c2)CC1 ZINC000080078243 494586912 /nfs/dbraw/zinc/58/69/12/494586912.db2.gz PDQYAGIDZODRLJ-UHFFFAOYSA-N 2 0 374.573 3.306 20 0 FGADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H]1CCc2c1cccc2Br ZINC000091369109 494588076 /nfs/dbraw/zinc/58/80/76/494588076.db2.gz IBDODXJNWSPUKZ-DYVFJYSZSA-N 2 0 355.320 3.383 20 0 FGADRP C[C@H](CNC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)C[NH+]1CCCC1 ZINC000080095250 494591939 /nfs/dbraw/zinc/59/19/39/494591939.db2.gz MAOMGJMXDRQQDL-DYXWJJEUSA-N 2 0 372.557 3.071 20 0 FGADRP CC[C@H]([NH2+]C[C@H](C)CN1CC[NH+](C)CC1)c1ccccc1Br ZINC000121093831 494594104 /nfs/dbraw/zinc/59/41/04/494594104.db2.gz BDWVPVPUKVTBLQ-YJBOKZPZSA-N 2 0 368.363 3.373 20 0 FGADRP C[C@H]1C[C@H](NC(=O)NCCC2CC[NH+](C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000080114997 494603089 /nfs/dbraw/zinc/60/30/89/494603089.db2.gz YTUYTPDWXMVUKJ-GHTZIAJQSA-N 2 0 372.557 3.071 20 0 FGADRP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000107834329 494608237 /nfs/dbraw/zinc/60/82/37/494608237.db2.gz JQENCAGHMIWAES-SBHAEUEKSA-N 2 0 374.573 3.347 20 0 FGADRP CCC[NH+]1CCC(NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000080153717 494615910 /nfs/dbraw/zinc/61/59/10/494615910.db2.gz OHNGXOFVUJLHTD-WIYYLYMNSA-N 2 0 372.557 3.213 20 0 FGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H](C)c2ccccc2Br)CC1 ZINC000121166473 494627998 /nfs/dbraw/zinc/62/79/98/494627998.db2.gz DLPBTJDANRXITB-CVEARBPZSA-N 2 0 368.363 3.373 20 0 FGADRP CC1CC[NH+](CCNC(=O)N2CCC(C[NH+]3CCCCCC3)CC2)CC1 ZINC000107982923 494631885 /nfs/dbraw/zinc/63/18/85/494631885.db2.gz SWTQORAUCZVSMV-UHFFFAOYSA-N 2 0 364.578 3.016 20 0 FGADRP CC(C)[NH+]1CCC(NC(=O)NCC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000067772726 494643351 /nfs/dbraw/zinc/64/33/51/494643351.db2.gz XWGVZOGLIMMBLO-UHFFFAOYSA-N 2 0 372.557 3.071 20 0 FGADRP CC[C@H]([NH2+]C[C@@H](C)CN1CC[NH+](CC)CC1)c1ccc(OC)c(OC)c1 ZINC000121217625 494651350 /nfs/dbraw/zinc/65/13/50/494651350.db2.gz RYGFOZDCNKMTQV-MJGOQNOKSA-N 2 0 363.546 3.018 20 0 FGADRP C[C@@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+]CC1CC[NH+](C)CC1 ZINC000126190399 494668395 /nfs/dbraw/zinc/66/83/95/494668395.db2.gz WRXKZSVWUVVNJY-ZDUSSCGKSA-N 2 0 357.420 3.354 20 0 FGADRP C[NH+](C)[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1)c1ccc(F)cc1 ZINC000057177564 494668807 /nfs/dbraw/zinc/66/88/07/494668807.db2.gz OFLACAWGSNWYRJ-LEWJYISDSA-N 2 0 369.484 3.209 20 0 FGADRP CC[NH+]1CCN(Cc2ccc(C[NH2+][C@H](C)c3cccc(CO)c3)cc2)CC1 ZINC000121268068 494673872 /nfs/dbraw/zinc/67/38/72/494673872.db2.gz KWASWXVPCZWPCD-LJQANCHMSA-N 2 0 367.537 3.167 20 0 FGADRP COc1ccc(C[NH+]2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc1OC ZINC000092587377 494677096 /nfs/dbraw/zinc/67/70/96/494677096.db2.gz UBMPVBFAMULBRU-CALCHBBNSA-N 2 0 362.514 3.025 20 0 FGADRP C[C@@H]1C[N@@H+](CC2CC[NH+](Cc3cc(-c4ccccc4)n[nH]3)CC2)C[C@H](C)O1 ZINC000092587602 494678352 /nfs/dbraw/zinc/67/83/52/494678352.db2.gz VLZFYSNBZRTOGO-HDICACEKSA-N 2 0 368.525 3.398 20 0 FGADRP CCC[NH2+][C@@H](C)C(=O)NCc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000574273964 505735602 /nfs/dbraw/zinc/73/56/02/505735602.db2.gz XORNZRHSKGZYTE-KRWDZBQOSA-N 2 0 353.510 3.420 20 0 FGADRP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)c1oc2ccccc2c1C[NH+](C)C ZINC000075158496 494699171 /nfs/dbraw/zinc/69/91/71/494699171.db2.gz QDJTXXLPBDSLHF-INIZCTEOSA-N 2 0 357.498 3.441 20 0 FGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092693455 494714750 /nfs/dbraw/zinc/71/47/50/494714750.db2.gz WLNUAMQVDOAHGG-FQEVSTJZSA-N 2 0 358.530 3.021 20 0 FGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H](C)c2ccc(OC(F)F)cc2)CC1 ZINC000121349468 494714933 /nfs/dbraw/zinc/71/49/33/494714933.db2.gz QNLAZHZLHQSNRT-CVEARBPZSA-N 2 0 355.473 3.212 20 0 FGADRP C[N@@H+]1CCC[C@@H](CC[NH2+]C[C@H](O)COc2ccc(-c3ccccc3)cc2)C1 ZINC000568619726 505738619 /nfs/dbraw/zinc/73/86/19/505738619.db2.gz GHYVVWLTSIJYMS-UGKGYDQZSA-N 2 0 368.521 3.415 20 0 FGADRP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3ccc(OC)c4ccccc34)C2)CC1 ZINC000093133381 494831088 /nfs/dbraw/zinc/83/10/88/494831088.db2.gz OJYGPGXUBXUPQW-IBGZPJMESA-N 2 0 353.510 3.060 20 0 FGADRP Cc1cc(Cl)c2c(c1)[C@H]([NH2+]CCN1CCC([NH+](C)C)CC1)CCCO2 ZINC000126770058 494835214 /nfs/dbraw/zinc/83/52/14/494835214.db2.gz XRFIXGIDMPSBQN-LJQANCHMSA-N 2 0 365.949 3.478 20 0 FGADRP O=C([C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)N1CC[NH+](C2CCCC2)CC1 ZINC000109338883 494861794 /nfs/dbraw/zinc/86/17/94/494861794.db2.gz GTAPBPBYIIDGRV-IBGZPJMESA-N 2 0 373.516 3.125 20 0 FGADRP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]CCCCN(C)c1ccccc1 ZINC000132469023 494879788 /nfs/dbraw/zinc/87/97/88/494879788.db2.gz IJXUAIRRQXFBMS-HJNYFJLDSA-N 2 0 359.558 3.382 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N1CCC[N@@H+](C(C)(C)C)CC1)CC(C)C ZINC000109482040 494881313 /nfs/dbraw/zinc/88/13/13/494881313.db2.gz VKMZBNZKAGALAJ-SFHVURJKSA-N 2 0 354.583 3.259 20 0 FGADRP Cc1cc2c(cc1C)[C@@H]([NH2+]C[C@H](C(C)C)N1CC[NH+](C)CC1)CCCO2 ZINC000132489091 494882534 /nfs/dbraw/zinc/88/25/34/494882534.db2.gz ZTRINBDUJCKTLS-LEWJYISDSA-N 2 0 359.558 3.379 20 0 FGADRP CC(C)[C@H](C[NH2+][C@H]1CC2(CCC2)Oc2ccccc21)N1CC[NH+](C)CC1 ZINC000132511988 494886547 /nfs/dbraw/zinc/88/65/47/494886547.db2.gz QCCAOYRUNUJOJX-PMACEKPBSA-N 2 0 357.542 3.295 20 0 FGADRP Cc1cc(Cl)cc2c1OCCC[C@H]2[NH2+]CCCC[NH+]1CCN(C)CC1 ZINC000121905887 494886871 /nfs/dbraw/zinc/88/68/71/494886871.db2.gz CFJVHXBVXRAFCJ-LJQANCHMSA-N 2 0 365.949 3.479 20 0 FGADRP C[N@H+](Cc1ccccc1)CC(C)(C)CN1CCC[NH+](C2CCOCC2)CC1 ZINC000093527886 494897843 /nfs/dbraw/zinc/89/78/43/494897843.db2.gz JBLNSCQQUONCLT-UHFFFAOYSA-N 2 0 373.585 3.331 20 0 FGADRP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(C)c(OCC(=O)OC)c(C)c2)[C@H](C)C1 ZINC000093639771 494907089 /nfs/dbraw/zinc/90/70/89/494907089.db2.gz CDBTVZXNQSTMGT-MJGOQNOKSA-N 2 0 362.514 3.017 20 0 FGADRP CCOc1ccc(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)cc1OC ZINC000093735188 494914948 /nfs/dbraw/zinc/91/49/48/494914948.db2.gz VMEXASVOKSOGBM-UHFFFAOYSA-N 2 0 362.514 3.171 20 0 FGADRP CCC[NH+]1CCC([N@H+](C)C[C@@H](O)COc2cccc3ccccc32)CC1 ZINC000109786909 494918186 /nfs/dbraw/zinc/91/81/86/494918186.db2.gz AUJSGNUTRWUWLD-HXUWFJFHSA-N 2 0 356.510 3.386 20 0 FGADRP COCC[N@H+](C)CCCC1CC[NH+](Cc2cn3cc(C)ccc3n2)CC1 ZINC000122168212 494934802 /nfs/dbraw/zinc/93/48/02/494934802.db2.gz HBNVOVTWFVMEFI-UHFFFAOYSA-N 2 0 358.530 3.213 20 0 FGADRP CC(C)c1cccc2c1OCCC[C@H]2[NH2+]C[C@H](C)CN1CC[NH+](C)CC1 ZINC000122250833 494947752 /nfs/dbraw/zinc/94/77/52/494947752.db2.gz YWNKWXZUEGUHPL-GHTZIAJQSA-N 2 0 359.558 3.497 20 0 FGADRP CC[C@@H](NC(=O)NC1CC[NH+](C2CCN(C)CC2)CC1)c1ccc(C)cc1 ZINC000127485746 494951759 /nfs/dbraw/zinc/95/17/59/494951759.db2.gz ZRSFTKFLDYLCJX-OAQYLSRUSA-N 2 0 372.557 3.304 20 0 FGADRP Cc1nc(-c2cc([C@H](C)[NH2+]C[C@@H](C)N3CC[NH+](C)CC3)cs2)cs1 ZINC000127550766 494960883 /nfs/dbraw/zinc/96/08/83/494960883.db2.gz XNIPIFPIGUVNIS-KGLIPLIRSA-N 2 0 364.584 3.467 20 0 FGADRP C[C@@H]1CC[N@H+](CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)C[C@@H]1C ZINC000122845067 495040002 /nfs/dbraw/zinc/04/00/02/495040002.db2.gz JNRZNKJDOGMDRH-SJORKVTESA-N 2 0 361.555 3.152 20 0 FGADRP CCC(CC)[C@H](CNC(=O)N(C)[C@H]1CC[N@H+](CC)C[C@@H]1C)[NH+]1CCCC1 ZINC000128177557 495056080 /nfs/dbraw/zinc/05/60/80/495056080.db2.gz OIFQGLDCBZDVBZ-IHPCNDPISA-N 2 0 366.594 3.259 20 0 FGADRP CC[N@H+](CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)C1CCCC1 ZINC000101544879 495074163 /nfs/dbraw/zinc/07/41/63/495074163.db2.gz ZLOZGDKVPXPEGN-UHFFFAOYSA-N 2 0 361.555 3.438 20 0 FGADRP CC(C)(C)[NH+]1CCC(NC(=O)NCCCCC[NH+]2CCCCC2)CC1 ZINC000111474080 495079509 /nfs/dbraw/zinc/07/95/09/495079509.db2.gz QQVLKZZPPUIKLC-UHFFFAOYSA-N 2 0 352.567 3.205 20 0 FGADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+]Cc2ccccc2N(C)C2CC[NH+](C)CC2)C1 ZINC000133950056 495085565 /nfs/dbraw/zinc/08/55/65/495085565.db2.gz OEWTUHHFLMBSCG-HXUWFJFHSA-N 3 0 372.601 3.427 20 0 FGADRP CCCC[NH+]1CCC(NC(=O)NC[C@H](c2ccco2)[NH+](CC)CC)CC1 ZINC000102006120 495114341 /nfs/dbraw/zinc/11/43/41/495114341.db2.gz GQPRJVRAYMBJDF-GOSISDBHSA-N 2 0 364.534 3.226 20 0 FGADRP C[C@@H](c1ccc(F)cc1)N(C)C(=O)C[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123472875 495137714 /nfs/dbraw/zinc/13/77/14/495137714.db2.gz ZCJPNCCSTHQJID-KRWDZBQOSA-N 2 0 363.521 3.399 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)N2CCC[C@H]([NH+]3CCCC3)C2)C1 ZINC000119316894 495140560 /nfs/dbraw/zinc/14/05/60/495140560.db2.gz UCDSDARZPALGCU-ZCNNSNEGSA-N 2 0 364.578 3.014 20 0 FGADRP C[N@H+](CCCN1CC[NH+](C)CC1)CC(c1ccccc1)c1ccccc1 ZINC000580460848 505764154 /nfs/dbraw/zinc/76/41/54/505764154.db2.gz JEMIKOAUJWHNAM-UHFFFAOYSA-N 2 0 351.538 3.388 20 0 FGADRP CC(C)[NH2+]C1CCN(C(=O)NC[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC000119386169 495156201 /nfs/dbraw/zinc/15/62/01/495156201.db2.gz PKVVDRNBFYQCEN-UYAOXDASSA-N 2 0 372.557 3.069 20 0 FGADRP C[C@H](C(=O)NCc1ccccc1Cl)[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123620014 495161516 /nfs/dbraw/zinc/16/15/16/495161516.db2.gz QCKNJPVECRPTCF-MRXNPFEDSA-N 2 0 365.949 3.399 20 0 FGADRP C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000119425568 495164877 /nfs/dbraw/zinc/16/48/77/495164877.db2.gz BQCJEXPOERXPOK-ZIAGYGMSSA-N 2 0 369.431 3.496 20 0 FGADRP C[C@H](NC(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(C)(C)C[NH+](C)C ZINC000119570085 495193489 /nfs/dbraw/zinc/19/34/89/495193489.db2.gz QOMPEDAKZGBBMK-ICSRJNTNSA-N 2 0 374.573 3.126 20 0 FGADRP CC[N@H+](Cc1ccc(C(=O)NC[C@H]2CC[NH+](CC(C)C)C2)cc1)C1CC1 ZINC000119677093 495215944 /nfs/dbraw/zinc/21/59/44/495215944.db2.gz YOSYIFRNQMEKSC-LJQANCHMSA-N 2 0 357.542 3.379 20 0 FGADRP COCOc1ccc(OC)cc1C[NH2+]Cc1ccc(F)c(C[NH+](C)C)c1 ZINC000119790043 495241902 /nfs/dbraw/zinc/24/19/02/495241902.db2.gz HACGHXMVXPEFPK-UHFFFAOYSA-N 2 0 362.445 3.168 20 0 FGADRP C[C@H]1CCC[N@H+](CCCCNC(=O)N2CCC([NH2+]C3CCCC3)CC2)C1 ZINC000129444364 495245904 /nfs/dbraw/zinc/24/59/04/495245904.db2.gz FWBKHHUYXAOXLU-SFHVURJKSA-N 2 0 364.578 3.205 20 0 FGADRP CN(C)CC[NH+]1CCC(C[NH2+][C@H]2CC3(CCC3)Oc3ccccc32)CC1 ZINC000124474092 495292999 /nfs/dbraw/zinc/29/29/99/495292999.db2.gz ODKUYKVQZQRYBT-FQEVSTJZSA-N 2 0 357.542 3.296 20 0 FGADRP Cc1cc(C)c2c(c1)[C@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)CCCO2 ZINC000124503095 495298167 /nfs/dbraw/zinc/29/81/67/495298167.db2.gz FSTITVMZVLBGRC-OAQYLSRUSA-N 2 0 359.558 3.380 20 0 FGADRP C[NH+](C)C[C@@H]1CCN(C(=O)c2cccc(C[N@H+](C)Cc3ccccc3)c2)C1 ZINC000113456264 495306844 /nfs/dbraw/zinc/30/68/44/495306844.db2.gz PCEVRZBLMIRGLC-NRFANRHFSA-N 2 0 365.521 3.342 20 0 FGADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NCC[N@H+](C)C1CCCC1 ZINC000104805481 495307885 /nfs/dbraw/zinc/30/78/85/495307885.db2.gz CROHNTVHADPGLJ-UHFFFAOYSA-N 2 0 360.546 3.154 20 0 FGADRP C[C@@H](C(=O)Nc1cccc(C[NH+]2CCSCC2)c1)[NH+]1[C@H](C)CC[C@H]1C ZINC000104873703 495311988 /nfs/dbraw/zinc/31/19/88/495311988.db2.gz XEDRRHBLOWXAAE-ZACQAIPSSA-N 2 0 361.555 3.435 20 0 FGADRP CCC(CC)(CNC(=O)NC1CC[NH+](C)CC1)[NH2+][C@@H](C)c1ccccc1 ZINC000113579298 495317164 /nfs/dbraw/zinc/31/71/64/495317164.db2.gz ZRVAIMWAYKTUJY-KRWDZBQOSA-N 2 0 360.546 3.289 20 0 FGADRP CC(C)[NH+]1CCC(NC(=O)NC2CCC([NH+]3CCC(C)CC3)CC2)CC1 ZINC000120226348 495331199 /nfs/dbraw/zinc/33/11/99/495331199.db2.gz MTTYXZVJAINECI-UHFFFAOYSA-N 2 0 364.578 3.202 20 0 FGADRP CCc1ccc([C@@H](CNC(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)[NH+](C)C)cc1 ZINC000105083254 495335347 /nfs/dbraw/zinc/33/53/47/495335347.db2.gz LVMMHAKGRMHYQY-PZJWPPBQSA-N 2 0 374.573 3.271 20 0 FGADRP CC[NH+](CC)Cc1ccc(CNC(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)cc1 ZINC000105093595 495336040 /nfs/dbraw/zinc/33/60/40/495336040.db2.gz JFMCMZNCZFGNJH-NRFANRHFSA-N 2 0 374.573 3.448 20 0 FGADRP COC(=O)c1ccc(C[N@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)c(F)c1 ZINC000130102430 495341642 /nfs/dbraw/zinc/34/16/42/495341642.db2.gz KDFXVZREIXKTIA-UHFFFAOYSA-N 2 0 371.456 3.356 20 0 FGADRP C[C@@H]1CCN(C(=O)C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c2ccccc2S1 ZINC000574452631 505776135 /nfs/dbraw/zinc/77/61/35/505776135.db2.gz GTFDRTFNGCUREY-FGTMMUONSA-N 2 0 373.566 3.225 20 0 FGADRP Clc1ccc(-c2noc(CC[NH+]3CCC([C@H]4CC[NH2+]C4)CC3)n2)cc1 ZINC000574453478 505776837 /nfs/dbraw/zinc/77/68/37/505776837.db2.gz PHKWOLKSCTWCSI-INIZCTEOSA-N 2 0 360.889 3.254 20 0 FGADRP CCC[N@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)[C@@H]1CCc2ccccc2C1 ZINC000114455635 495376565 /nfs/dbraw/zinc/37/65/65/495376565.db2.gz MFSBCUNLMFSYQI-JOCHJYFZSA-N 2 0 371.569 3.245 20 0 FGADRP CC[NH+](CC)Cc1ccc(CNC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)cc1 ZINC000136574539 495388031 /nfs/dbraw/zinc/38/80/31/495388031.db2.gz HAQJISBJNMJODU-SFTDATJTSA-N 2 0 372.557 3.154 20 0 FGADRP Cc1cccc(N2CC[NH+](CCCC[NH2+][C@@H]3C[C@@H](C)N(C4CC4)C3)CC2)c1 ZINC000125335527 495428089 /nfs/dbraw/zinc/42/80/89/495428089.db2.gz AXXOWFCCWDLROM-NHCUHLMSSA-N 2 0 370.585 3.112 20 0 FGADRP C[C@H]1C[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C[N@@H+]1Cc1ccccc1 ZINC000137465193 495441810 /nfs/dbraw/zinc/44/18/10/495441810.db2.gz RIJVMZWNTDOBGM-UWJYYQICSA-N 2 0 351.494 3.141 20 0 FGADRP C[NH+]1CCN(c2ncccc2C[NH2+][C@@H]2CC[C@@H](c3ccccc3)C2)CC1 ZINC000130804024 495448536 /nfs/dbraw/zinc/44/85/36/495448536.db2.gz VOBVSURKUOWLQU-TZIWHRDSSA-N 2 0 350.510 3.259 20 0 FGADRP C[C@H]([NH2+]CCC[N@H+](C)C1CCCCC1)c1ccc(NS(C)(=O)=O)cc1 ZINC000120767817 495453634 /nfs/dbraw/zinc/45/36/34/495453634.db2.gz KUNYNFKNUMOIJX-INIZCTEOSA-N 2 0 367.559 3.363 20 0 FGADRP COC(=O)[C@@H](NCC1CCN(c2cc[nH+]cc2)CC1)c1ccccc1C ZINC000120785065 495456891 /nfs/dbraw/zinc/45/68/91/495456891.db2.gz OULFDMOACIJXDT-FQEVSTJZSA-N 2 0 353.466 3.110 20 0 FGADRP O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000106516762 495459592 /nfs/dbraw/zinc/45/95/92/495459592.db2.gz UGECHXCFYLMHTL-HKUYNNGSSA-N 2 0 374.529 3.123 20 0 FGADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H](C)c2ccc(Br)cc2F)CC1 ZINC000125895456 495515177 /nfs/dbraw/zinc/51/51/77/495515177.db2.gz HVZCQQWSXVBPAK-ZIAGYGMSSA-N 2 0 372.326 3.265 20 0 FGADRP COc1ccc(Cl)cc1NC(=O)CC[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000158572942 495541812 /nfs/dbraw/zinc/54/18/12/495541812.db2.gz KLSPSKTUWYULIT-PBHICJAKSA-N 2 0 365.905 3.093 20 0 FGADRP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)N(C)CCC[NH+](C)C)cc2)C1 ZINC000185353777 495544466 /nfs/dbraw/zinc/54/44/66/495544466.db2.gz FICFHFIJLMKZGV-RTBURBONSA-N 2 0 374.573 3.258 20 0 FGADRP CC[N@@H+]1CCCC[C@H]1C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cc1 ZINC000182431690 495561359 /nfs/dbraw/zinc/56/13/59/495561359.db2.gz LBYPBSASACJWBA-FQEVSTJZSA-N 2 0 358.530 3.030 20 0 FGADRP CC(C)[C@H]1CCCN(C(=O)[C@@H]([NH3+])Cc2cn(Cc3ccccc3)cn2)CC1 ZINC000158741706 495579598 /nfs/dbraw/zinc/57/95/98/495579598.db2.gz GYSLMCFODSRPBK-FPOVZHCZSA-N 2 0 368.525 3.086 20 0 FGADRP C[C@@H]([NH2+]CCCC[NH+]1CCN(C)CC1)c1ccc(Br)s1 ZINC000154360390 495592245 /nfs/dbraw/zinc/59/22/45/495592245.db2.gz TYGVRCAPUSJVQE-CYBMUJFWSA-N 2 0 360.365 3.189 20 0 FGADRP C[C@@H]([NH2+]CCCC[NH+]1CCN(C)CC1)c1ccc(F)cc1Br ZINC000154366753 495594951 /nfs/dbraw/zinc/59/49/51/495594951.db2.gz SRRKTAGWYVNKJM-CQSZACIVSA-N 2 0 372.326 3.266 20 0 FGADRP Cc1cc(C[NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)c2ccccc2n1 ZINC000182589630 495626879 /nfs/dbraw/zinc/62/68/79/495626879.db2.gz KOOMWLQRRCYLNQ-WCRBZPEASA-N 2 0 364.537 3.286 20 0 FGADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@H]2CCN(c3ncc(C(F)(F)F)cc3Cl)C2)C1 ZINC000574531122 505794074 /nfs/dbraw/zinc/79/40/74/505794074.db2.gz LYKPTXKYRFSVML-AGIUHOORSA-N 2 0 362.827 3.192 20 0 FGADRP C[C@H](C(=O)N[C@@H](C)c1cc2ccccc2o1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150817212 495643899 /nfs/dbraw/zinc/64/38/99/495643899.db2.gz DQIAGSVMKMLBCX-RCCFBDPRSA-N 2 0 369.509 3.416 20 0 FGADRP C[C@@H]1CCC[N@H+](CCNC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000159275487 495700162 /nfs/dbraw/zinc/70/01/62/495700162.db2.gz AYJSEKQGHAEWIU-LJQANCHMSA-N 2 0 357.542 3.137 20 0 FGADRP CN(c1ccccc1C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C)C1CC[NH+](C)CC1 ZINC000151016128 495712394 /nfs/dbraw/zinc/71/23/94/495712394.db2.gz DFFCFVJKLQKJLX-XDNSSPFJSA-N 2 0 370.585 3.322 20 0 FGADRP O=C(CC[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1)N[C@H]1CCCc2ccccc21 ZINC000173878338 495728713 /nfs/dbraw/zinc/72/87/13/495728713.db2.gz KOFRCUQFJCHOKQ-KNQAVFIVSA-N 2 0 369.553 3.378 20 0 FGADRP COc1cc(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)ccc1SC ZINC000173960737 495765400 /nfs/dbraw/zinc/76/54/00/495765400.db2.gz VIDYMQXOGRTCAQ-UHFFFAOYSA-N 2 0 364.555 3.494 20 0 FGADRP CC[NH+](CC)Cc1cccc(C[NH2+][C@@H](Cc2ccc(Cl)cc2)C(N)=O)c1 ZINC000185896664 495770856 /nfs/dbraw/zinc/77/08/56/495770856.db2.gz FPHIVDADZKYZQN-FQEVSTJZSA-N 2 0 373.928 3.368 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)NCC1CC[NH+](CC)CC1)c1ccccc1 ZINC000568903313 505805204 /nfs/dbraw/zinc/80/52/04/505805204.db2.gz DAKIZANORJAKIB-FQEVSTJZSA-N 2 0 360.546 3.101 20 0 FGADRP CC[C@H]([NH2+][C@H](C)CN1CC[NH+](C)CC1)c1ccc(Br)cc1 ZINC000155124644 495845210 /nfs/dbraw/zinc/84/52/10/495845210.db2.gz MVPWXJVUMKLRFE-PBHICJAKSA-N 2 0 354.336 3.126 20 0 FGADRP c1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH2+]CCCOC[C@@H]4CCCO4)[C@@H]3C2)cc1 ZINC000183126567 495845384 /nfs/dbraw/zinc/84/53/84/495845384.db2.gz HYDIJNPXJDXMFD-GPJHCHHRSA-N 2 0 372.553 3.462 20 0 FGADRP CC[C@@H]([NH2+][C@@H](C)CN1CC[NH+](C)CC1)c1ccc(Br)cc1 ZINC000155124543 495845474 /nfs/dbraw/zinc/84/54/74/495845474.db2.gz MVPWXJVUMKLRFE-WMLDXEAASA-N 2 0 354.336 3.126 20 0 FGADRP COC(=O)c1coc(C[NH+]2CCC(C[N@H+](C)Cc3ccccc3)CC2)c1 ZINC000171384392 495848928 /nfs/dbraw/zinc/84/89/28/495848928.db2.gz CIGBAVFMHIXIBM-UHFFFAOYSA-N 2 0 356.466 3.410 20 0 FGADRP Cc1c2ccccc2oc1[C@H](C)[NH2+]CCCN1CCC[C@@H]1C(=O)N(C)C ZINC000155300529 495910142 /nfs/dbraw/zinc/91/01/42/495910142.db2.gz CGLSGHPZUOVHAE-FUHWJXTLSA-N 2 0 357.498 3.335 20 0 FGADRP C[C@H](CCNC(=O)c1cccc(C[NH+](C)C)c1)[N@H+](C)Cc1ccccc1 ZINC000174413739 495948780 /nfs/dbraw/zinc/94/87/80/495948780.db2.gz PNKWYRULVBEKNI-GOSISDBHSA-N 2 0 353.510 3.389 20 0 FGADRP Cc1cccc(NC[C@H]2CC[N@@H+](CC(=O)N[C@@H](C)c3ccccc3)C2)[nH+]1 ZINC000171653170 495971795 /nfs/dbraw/zinc/97/17/95/495971795.db2.gz OHJZHQIVDGJHQZ-ZWKOTPCHSA-N 2 0 352.482 3.001 20 0 FGADRP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)NC2CC[NH+](CC3CCCC3)CC2)C1 ZINC000171667985 495981572 /nfs/dbraw/zinc/98/15/72/495981572.db2.gz GROBEIDDDIZIGD-IBGZPJMESA-N 2 0 364.578 3.061 20 0 FGADRP Cc1ccc2c(c1)[C@H]([NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1)[C@@H](C)C2 ZINC000180413403 495986614 /nfs/dbraw/zinc/98/66/14/495986614.db2.gz QXJDXJSADQEFOP-HTAPYJJXSA-N 2 0 365.521 3.310 20 0 FGADRP C[N@H+](CCCNC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1)Cc1ccccc1 ZINC000155556746 495993973 /nfs/dbraw/zinc/99/39/73/495993973.db2.gz HEQZJNUBRJBXDO-NRFANRHFSA-N 2 0 372.557 3.168 20 0 FGADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H]2CCc3cc(Br)ccc32)CC1 ZINC000155585337 496003489 /nfs/dbraw/zinc/00/34/89/496003489.db2.gz QIVSPIYZSNIRIT-KBXCAEBGSA-N 2 0 366.347 3.052 20 0 FGADRP CC[C@@H]([NH2+]CCc1ccc(OCC[NH+]2CCCC2)cc1)c1cnn(C)c1 ZINC000183494811 496008129 /nfs/dbraw/zinc/00/81/29/496008129.db2.gz SPCJDLFJHSBMST-OAQYLSRUSA-N 2 0 356.514 3.178 20 0 FGADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1ccccc1OC(F)(F)F ZINC000186565580 496047922 /nfs/dbraw/zinc/04/79/22/496047922.db2.gz DUVIPXMBJZCPFH-CABCVRRESA-N 2 0 359.436 3.262 20 0 FGADRP Cc1ccc(OC[C@H](O)C[NH2+]Cc2c(Cl)cccc2-n2ccnc2)cc1 ZINC000580710019 505820088 /nfs/dbraw/zinc/82/00/88/505820088.db2.gz KTLLZUHOWUUCGR-MRXNPFEDSA-N 2 0 371.868 3.364 20 0 FGADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@H](C)c1cccc(-c2ccncc2)c1 ZINC000186597070 496064707 /nfs/dbraw/zinc/06/47/07/496064707.db2.gz NVIXOAONPMRLSF-RTBURBONSA-N 2 0 352.526 3.425 20 0 FGADRP O=C(NC1CC[NH+](C2CCCC2)CC1)c1cccc(C[NH+]2CCCC2)c1 ZINC000177454564 496067749 /nfs/dbraw/zinc/06/77/49/496067749.db2.gz DYYKBNRNPRDKJG-UHFFFAOYSA-N 2 0 355.526 3.419 20 0 FGADRP CC[C@@](C)(CO)[NH2+]Cc1ccc(OCc2cn3cccc(C)c3n2)cc1 ZINC000152175720 496070004 /nfs/dbraw/zinc/07/00/04/496070004.db2.gz KPSSXZXQNLIIRP-NRFANRHFSA-N 2 0 353.466 3.472 20 0 FGADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]C1CCN(Cc2coc(-c3ccccc3)n2)CC1 ZINC000568974457 505822680 /nfs/dbraw/zinc/82/26/80/505822680.db2.gz ZCKZSJHKSTXREB-GHTZIAJQSA-N 2 0 368.525 3.413 20 0 FGADRP C[NH+](C)CC[C@@H](NC(=O)NC1CC[NH+](C2CCCCC2)CC1)C(C)(C)C ZINC000177518698 496094676 /nfs/dbraw/zinc/09/46/76/496094676.db2.gz WEKYKCVJIMFZQH-LJQANCHMSA-N 2 0 366.594 3.449 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)CCC1CC[NH2+]CC1 ZINC000155892706 496098801 /nfs/dbraw/zinc/09/88/01/496098801.db2.gz XSMJBZDNJWDZJS-GOSISDBHSA-N 2 0 357.542 3.457 20 0 FGADRP C[C@H](NCC(=O)NC12CC3CC(CC(C3)C1)C2)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000571840961 505824833 /nfs/dbraw/zinc/82/48/33/505824833.db2.gz BKJLLCMYNFNYRO-PIYZVIGCSA-N 2 0 373.585 3.314 20 0 FGADRP CC1CC[NH+](C[C@H]2CCCN(C(=O)c3cccc(C[NH+](C)C)c3)C2)CC1 ZINC000156058637 496146457 /nfs/dbraw/zinc/14/64/57/496146457.db2.gz UFFGXWBCOIYTKY-HXUWFJFHSA-N 2 0 357.542 3.332 20 0 FGADRP CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+]CC2(C[NH+](C)C)CCCC2)cc1 ZINC000183954866 496175180 /nfs/dbraw/zinc/17/51/80/496175180.db2.gz HSKUVEWBFCPUTA-INIZCTEOSA-N 2 0 367.559 3.221 20 0 FGADRP C[NH+](C)CCCOc1ccc(CNC(=O)c2cccc(C[NH+](C)C)c2)cc1 ZINC000156218240 496190578 /nfs/dbraw/zinc/19/05/78/496190578.db2.gz RHWOIILGVYHQBQ-UHFFFAOYSA-N 2 0 369.509 3.009 20 0 FGADRP C[C@@H]([NH2+]C1CCN(c2ccccn2)CC1)c1cccc(OCC[NH+](C)C)c1 ZINC000156232661 496193894 /nfs/dbraw/zinc/19/38/94/496193894.db2.gz VZEIZMATAFXDPM-GOSISDBHSA-N 2 0 368.525 3.342 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)N1CC[C@@H](C[N@@H+](C)CC)C1)c1ccsc1 ZINC000177851241 496223455 /nfs/dbraw/zinc/22/34/55/496223455.db2.gz KECHYYFNYGUTMM-WMZOPIPTSA-N 2 0 366.575 3.114 20 0 FGADRP CCNC(=O)c1ccc(C[NH2+][C@H](C)c2cccc(OCC[NH+](C)C)c2)cc1 ZINC000156498129 496262046 /nfs/dbraw/zinc/26/20/46/496262046.db2.gz IKZMMVYQHZGNRG-QGZVFWFLSA-N 2 0 369.509 3.228 20 0 FGADRP CC(C)C[NH+]1CCC(NC(=O)NCC[C@@H](C)[N@H+](C)Cc2ccccc2)CC1 ZINC000175232158 496301502 /nfs/dbraw/zinc/30/15/02/496301502.db2.gz BPHVPFLICCBSBY-LJQANCHMSA-N 2 0 374.573 3.317 20 0 FGADRP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]CC[C@@H]2CCCCO2)CC1 ZINC000181255196 496329656 /nfs/dbraw/zinc/32/96/56/496329656.db2.gz QKHMOIHGHUJNNU-INIZCTEOSA-N 2 0 351.922 3.141 20 0 FGADRP C[C@@H]1CCC[C@H]([NH+]2CCC(NCc3ccncc3OCC[NH+](C)C)CC2)C1 ZINC000571886426 505838172 /nfs/dbraw/zinc/83/81/72/505838172.db2.gz UHTZETYFDFNDHR-NQIIRXRSSA-N 2 0 374.573 3.155 20 0 FGADRP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000181299184 496345013 /nfs/dbraw/zinc/34/50/13/496345013.db2.gz VEVXRQBDXWEEOP-GOSISDBHSA-N 2 0 372.557 3.213 20 0 FGADRP C[C@@H]([NH2+]CCCN1CC[NH+](C)CC1)c1ccc(SCC(F)F)cc1 ZINC000162487010 496360881 /nfs/dbraw/zinc/36/08/81/496360881.db2.gz SFXLZKMTYNNPAC-OAHLLOKOSA-N 2 0 357.514 3.332 20 0 FGADRP C[C@H](CCc1ccco1)[NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000156914735 496362748 /nfs/dbraw/zinc/36/27/48/496362748.db2.gz YBFZWQPYUDGUIM-XLIONFOSSA-N 2 0 369.509 3.088 20 0 FGADRP C[C@H]([NH3+])c1ccc(NC(=O)CCC[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000178200304 496367601 /nfs/dbraw/zinc/36/76/01/496367601.db2.gz BDNAZHLJYWMLCJ-SFHVURJKSA-N 2 0 366.509 3.247 20 0 FGADRP CC[C@@H](CSc1ccc(Cl)cc1)[NH2+]CCCN1CC[NH+](C)CC1 ZINC000162569652 496375560 /nfs/dbraw/zinc/37/55/60/496375560.db2.gz SYOJYLCGLGFAFK-KRWDZBQOSA-N 2 0 355.979 3.438 20 0 FGADRP CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+]CC[C@@H](C)[NH+]2CCCCC2)cc1 ZINC000184497299 496411371 /nfs/dbraw/zinc/41/13/71/496411371.db2.gz ABQDKFDMCWFALK-SJORKVTESA-N 2 0 367.559 3.363 20 0 FGADRP C[C@]1(CO)CCC[N@@H+]1Cc1cc(Cl)cc(C[NH+]2CCC[C@@]2(C)CO)c1 ZINC000578025972 505844606 /nfs/dbraw/zinc/84/46/06/505844606.db2.gz LKDTTZQBBMVUPU-BGYRXZFFSA-N 2 0 366.933 3.034 20 0 FGADRP C[NH+](C)Cc1ccc(C(=O)NC[C@@H](C2CC2)[N@H+](C)Cc2ccccc2)cc1 ZINC000187455252 496448878 /nfs/dbraw/zinc/44/88/78/496448878.db2.gz NYNFNWLSNRHYEG-QFIPXVFZSA-N 2 0 365.521 3.389 20 0 FGADRP C[NH+](C)C1CCN(CCNC(=O)NC2CCC(c3ccccc3)CC2)CC1 ZINC000175595133 496455906 /nfs/dbraw/zinc/45/59/06/496455906.db2.gz SADORPSBUYZFMT-UHFFFAOYSA-N 2 0 372.557 3.038 20 0 FGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]CCOC(C)(C)C)CC1 ZINC000181629753 496477732 /nfs/dbraw/zinc/47/77/32/496477732.db2.gz LXOQCIMINDDIAQ-INIZCTEOSA-N 2 0 351.510 3.433 20 0 FGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@@H](C)c2cc3cccc(OC)c3o2)CC1 ZINC000181692665 496504916 /nfs/dbraw/zinc/50/49/16/496504916.db2.gz VCIRDRQJQQGKRO-IRXDYDNUSA-N 2 0 359.514 3.366 20 0 FGADRP CCC1(CC)[C@H](OC)C[C@@H]1[NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000181708091 496511120 /nfs/dbraw/zinc/51/11/20/496511120.db2.gz WWJJSTAUUZSQLC-LEWJYISDSA-N 2 0 360.542 3.327 20 0 FGADRP C[N@@H+]1CCC[C@H](CNC(=O)NC[C@H]([NH3+])c2ccccc2)[C@@H]1c1cccs1 ZINC000569085754 505848727 /nfs/dbraw/zinc/84/87/27/505848727.db2.gz UJWREMVDHCDCEB-ZIFCJYIRSA-N 2 0 372.538 3.130 20 0 FGADRP CC[C@@H]([NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1)c1cccs1 ZINC000163514668 496526359 /nfs/dbraw/zinc/52/63/59/496526359.db2.gz PPDYJLROSDHOFL-MRXNPFEDSA-N 2 0 351.560 3.416 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1)c1ccsc1 ZINC000175770762 496538479 /nfs/dbraw/zinc/53/84/79/496538479.db2.gz KAVBJNBAUZAEBT-OKZBNKHCSA-N 2 0 366.575 3.303 20 0 FGADRP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1CCC(=O)N[C@H](c1cccs1)c1ccccc1 ZINC000580841511 505850756 /nfs/dbraw/zinc/85/07/56/505850756.db2.gz RQJFPYIEQUROEB-MDYRTPRTSA-N 2 0 357.523 3.155 20 0 FGADRP C[C@H](CCNC(=O)NCCCCC[NH+]1CCCCC1)[NH+]1CCCCC1 ZINC000181802801 496551123 /nfs/dbraw/zinc/55/11/23/496551123.db2.gz QGJSSZLCMMOCPG-LJQANCHMSA-N 2 0 352.567 3.206 20 0 FGADRP Fc1ccc(CC[NH+]2CCC(N[C@H]3CC[N@@H+](C4CCCC4)C3)CC2)cc1 ZINC000153732158 496561708 /nfs/dbraw/zinc/56/17/08/496561708.db2.gz YSJBQEGRCYMFHR-NRFANRHFSA-N 2 0 359.533 3.439 20 0 FGADRP CCO[C@@H]1C[C@@H]([NH2+]CC2(N3CCCCC3)CC[NH+](C)CC2)C12CCCC2 ZINC000181827511 496562362 /nfs/dbraw/zinc/56/23/62/496562362.db2.gz AGXITCPNSOIWQL-WOJBJXKFSA-N 2 0 363.590 3.264 20 0 FGADRP CCO[C@H]1C[C@@H]([NH2+]CC2(N3CCCCC3)CC[NH+](C)CC2)C12CCCC2 ZINC000181827527 496562772 /nfs/dbraw/zinc/56/27/72/496562772.db2.gz AGXITCPNSOIWQL-UXHICEINSA-N 2 0 363.590 3.264 20 0 FGADRP CCn1cc([C@@H](C)[NH2+]CCCC[NH+]2CCN(Cc3ccccc3)CC2)cn1 ZINC000163926471 496570542 /nfs/dbraw/zinc/57/05/42/496570542.db2.gz HQXWXHYEZUCGHW-HXUWFJFHSA-N 2 0 369.557 3.152 20 0 FGADRP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1)c1ccc2c(c1)CCO2 ZINC000178794441 496574558 /nfs/dbraw/zinc/57/45/58/496574558.db2.gz YNTDPIWIXXZGGG-QGZVFWFLSA-N 2 0 366.505 3.429 20 0 FGADRP [NH3+][C@H](CC(=O)NCC1CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000178817854 496583168 /nfs/dbraw/zinc/58/31/68/496583168.db2.gz VSYBWZGTDGFOTE-OAQYLSRUSA-N 2 0 351.494 3.105 20 0 FGADRP C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)C1(C)CC[NH+](Cc3ccccc3)CC1)C2 ZINC000164163934 496591199 /nfs/dbraw/zinc/59/11/99/496591199.db2.gz LFXMECNRCSTXED-SEJPIABJSA-N 2 0 369.553 3.420 20 0 FGADRP CN(C)C(=O)[C@H](c1ccccc1)[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000178917870 496616358 /nfs/dbraw/zinc/61/63/58/496616358.db2.gz QRIXIDJCUGJNQX-NRFANRHFSA-N 2 0 357.542 3.404 20 0 FGADRP Cc1cccc(C[NH+]2CCC(NC(=O)C[C@H](C)C3CC[NH2+]CC3)CC2)c1 ZINC000164546566 496618419 /nfs/dbraw/zinc/61/84/19/496618419.db2.gz YTCZTBYJGUKGSF-SFHVURJKSA-N 2 0 357.542 3.101 20 0 FGADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+][C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000164740334 496629962 /nfs/dbraw/zinc/62/99/62/496629962.db2.gz CNXIEQANYBSWOZ-SZXPJGKVSA-N 2 0 366.347 3.346 20 0 FGADRP [NH3+][C@@H](CCC(=O)NCc1cccc(C[NH+]2CCCC2)c1)c1ccccc1 ZINC000164725467 496629992 /nfs/dbraw/zinc/62/99/92/496629992.db2.gz OKOREEBTYMOMMC-NRFANRHFSA-N 2 0 351.494 3.379 20 0 FGADRP COc1ccc2c(c1)[C@H]([NH2+]C[C@H](C)CN1CC[NH+](C)CC1)CCCS2 ZINC000187955482 496630817 /nfs/dbraw/zinc/63/08/17/496630817.db2.gz GZFKIDBBPPTWJR-QFBILLFUSA-N 2 0 363.571 3.095 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)C[C@@H](C)C1CC[NH2+]CC1)c1ccsc1 ZINC000164904161 496638819 /nfs/dbraw/zinc/63/88/19/496638819.db2.gz LSMXVTHATLYIHQ-QAPCUYQASA-N 2 0 351.560 3.273 20 0 FGADRP CC[C@@H](CNC(=O)CC[C@@H]([NH3+])c1ccccc1)[N@@H+]1CCc2ccccc2C1 ZINC000164948173 496640788 /nfs/dbraw/zinc/64/07/88/496640788.db2.gz VKFGXQNYVZWOBT-FCHUYYIVSA-N 2 0 365.521 3.420 20 0 FGADRP [NH3+]CC1(C(=O)NCCCC[NH+]2CCC(Cc3ccccc3)CC2)CCCC1 ZINC000168571393 496710609 /nfs/dbraw/zinc/71/06/09/496710609.db2.gz KTFMQJSUSZBBBT-UHFFFAOYSA-N 2 0 371.569 3.357 20 0 FGADRP C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N(C)CCC[NH+](C)C)C1 ZINC000185320379 496728556 /nfs/dbraw/zinc/72/85/56/496728556.db2.gz BUDXATVPKLEQFM-SFHVURJKSA-N 2 0 360.546 3.012 20 0 FGADRP CC[NH+]1CCN(Cc2ccccc2C[NH2+][C@@H](C)c2cccc(O)c2)CC1 ZINC000194853969 496736889 /nfs/dbraw/zinc/73/68/89/496736889.db2.gz YFAPQWVKVMZNNB-SFHVURJKSA-N 2 0 353.510 3.381 20 0 FGADRP CC(C)[NH+]1CCC(NC(=O)N2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)CC1 ZINC000247028925 496756833 /nfs/dbraw/zinc/75/68/33/496756833.db2.gz QWPONJCDNGIKOA-RBUKOAKNSA-N 2 0 364.578 3.155 20 0 FGADRP COc1ccccc1CC1CC[NH+](CCCN2CC[NH+](C(C)C)CC2)CC1 ZINC000191471780 496774703 /nfs/dbraw/zinc/77/47/03/496774703.db2.gz HNYWGDVHAMNMNJ-UHFFFAOYSA-N 2 0 373.585 3.366 20 0 FGADRP CC[NH+](CC)Cc1ccc(CNC(=O)N(C)[C@@H](C)C2CC[NH+](C)CC2)cc1 ZINC000273347778 496780654 /nfs/dbraw/zinc/78/06/54/496780654.db2.gz CBRAZNZSIGOWQC-SFHVURJKSA-N 2 0 374.573 3.400 20 0 FGADRP CC(C)[NH+]1CCN(CCC[N@H+](C)Cc2cccc(OC(F)(F)F)c2)CC1 ZINC000191551287 496808071 /nfs/dbraw/zinc/80/80/71/496808071.db2.gz AYQXFQQZJHEXST-UHFFFAOYSA-N 2 0 373.463 3.433 20 0 FGADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCCC[NH+]2Cc2ccccc2)C1 ZINC000247247042 496815421 /nfs/dbraw/zinc/81/54/21/496815421.db2.gz PXSGGUYLASFOMK-NHCUHLMSSA-N 2 0 357.542 3.278 20 0 FGADRP COc1ccc(NC(=O)CC[N@H+](C)C2CC[NH+](C(C)C)CC2)cc1Cl ZINC000268898522 496818643 /nfs/dbraw/zinc/81/86/43/496818643.db2.gz LELZZNWPDCXZHM-UHFFFAOYSA-N 2 0 367.921 3.482 20 0 FGADRP Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000268946370 496831010 /nfs/dbraw/zinc/83/10/10/496831010.db2.gz BEJVTJZGYOAWRX-CYBMUJFWSA-N 2 0 363.502 3.365 20 0 FGADRP O=C1c2ccccc2CCN1CC[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000191616405 496833407 /nfs/dbraw/zinc/83/34/07/496833407.db2.gz WMSYLXPUPYLESA-UHFFFAOYSA-N 2 0 355.526 3.072 20 0 FGADRP CCC[N@H+](C)C[C@@H]1CC[NH+](C[C@@H](O)CO[C@H]2CCCc3ccccc32)C1 ZINC000247358859 496844239 /nfs/dbraw/zinc/84/42/39/496844239.db2.gz QEELZBBKESWTFJ-DWLFOUALSA-N 2 0 360.542 3.105 20 0 FGADRP C[NH+](C)[C@H](CNC(=O)c1ccc2c(ccn2CCC[NH3+])c1)c1cccs1 ZINC000269237059 496901587 /nfs/dbraw/zinc/90/15/87/496901587.db2.gz NMOXZYPTNFFJOK-GOSISDBHSA-N 2 0 370.522 3.084 20 0 FGADRP C[NH+](C)[C@@H](CNC(=O)c1ccc2c(ccn2CCC[NH3+])c1)c1cccs1 ZINC000269237063 496901772 /nfs/dbraw/zinc/90/17/72/496901772.db2.gz NMOXZYPTNFFJOK-SFHVURJKSA-N 2 0 370.522 3.084 20 0 FGADRP O=C(Nc1ccc(CC[NH+]2CCSCC2)cc1)C1CC[NH+](C2CC2)CC1 ZINC000195394309 496910229 /nfs/dbraw/zinc/91/02/29/496910229.db2.gz XJWQSRFAIYXBMS-UHFFFAOYSA-N 2 0 373.566 3.091 20 0 FGADRP CC[N@@H+]1CCCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC000247734510 496910467 /nfs/dbraw/zinc/91/04/67/496910467.db2.gz VKPWCVKGZJPUFG-VTHDOGFWSA-N 2 0 355.526 3.173 20 0 FGADRP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(C[NH2+][C@H]3CCC[C@H](C4CC4)C3)c2)C1 ZINC000247981238 496938144 /nfs/dbraw/zinc/93/81/44/496938144.db2.gz IIVOKDYYIHRJHV-BDTNDASRSA-N 2 0 369.553 3.442 20 0 FGADRP C[N@@H+]1CCC[C@H]2C[NH+](CCC(=O)Nc3cccc(C(F)(F)F)c3)CC[C@H]21 ZINC000247981485 496938600 /nfs/dbraw/zinc/93/86/00/496938600.db2.gz MUNZTAFGWCGYOS-WMLDXEAASA-N 2 0 369.431 3.450 20 0 FGADRP CCc1ccc([C@H](CNC(=O)NC[C@@H](C)C[NH+]2CCCCC2)[NH+](C)C)cc1 ZINC000195551828 496950438 /nfs/dbraw/zinc/95/04/38/496950438.db2.gz CCDJEUQRKKAFNH-NQIIRXRSSA-N 2 0 374.573 3.273 20 0 FGADRP C[C@H](NC(=O)CN1CC[C@H]2[C@H](CCC[N@@H+]2C)C1)c1cccc2ccccc21 ZINC000248184746 496970604 /nfs/dbraw/zinc/97/06/04/496970604.db2.gz XBZHGVZPIDWYLT-KPLVRAHFSA-N 2 0 365.521 3.433 20 0 FGADRP C[C@H]1C[N@H+](CCC[NH2+]Cc2cccc(OCc3ccccn3)c2)CCCO1 ZINC000278080257 496997437 /nfs/dbraw/zinc/99/74/37/496997437.db2.gz ZZTWIGZPQNFTPU-IBGZPJMESA-N 2 0 369.509 3.251 20 0 FGADRP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N[C@H](C)C[NH+](C)C(C)C ZINC000572058580 505879193 /nfs/dbraw/zinc/87/91/93/505879193.db2.gz PYFNXCQFCJUCEJ-TZIWHRDSSA-N 2 0 374.573 3.269 20 0 FGADRP CCN1CC[NH+](CCCC[NH2+][C@@H](Cc2cccc(OC)c2)C2CC2)CC1 ZINC000269888012 497018288 /nfs/dbraw/zinc/01/82/88/497018288.db2.gz VDPRMMMYLQVJGA-QFIPXVFZSA-N 2 0 359.558 3.024 20 0 FGADRP Cc1ccc(OC[C@H](O)C[NH2+][C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c(C)c1 ZINC000248553672 497036549 /nfs/dbraw/zinc/03/65/49/497036549.db2.gz HMQGZNANVSNICT-IRFCIJBXSA-N 2 0 360.542 3.286 20 0 FGADRP C[NH+](C)Cc1ccsc1C(=O)N[C@@H](C[NH3+])c1ccc2ccccc2c1 ZINC000278206847 497038472 /nfs/dbraw/zinc/03/84/72/497038472.db2.gz HHDGJUWAXRCTGV-SFHVURJKSA-N 2 0 353.491 3.393 20 0 FGADRP C[NH+](C)C1CCN(CC[NH2+]Cc2cc(Cl)cc(C(F)(F)F)c2)CC1 ZINC000189270647 497065775 /nfs/dbraw/zinc/06/57/75/497065775.db2.gz XNKLCLWTDVDFOQ-UHFFFAOYSA-N 2 0 363.855 3.474 20 0 FGADRP CC(C)N1CCC[C@H]([NH2+]C2[C@H](C)C[NH+](Cc3ccccc3)C[C@H]2C)C1=O ZINC000248735022 497093021 /nfs/dbraw/zinc/09/30/21/497093021.db2.gz KQGDYCXSPFXYKB-GGPKGHCWSA-N 2 0 357.542 3.132 20 0 FGADRP Cc1ccc2cc(C[NH2+]C3CC[NH+]([C@@H]4CCCC[C@@H]4O)CC3)ccc2n1 ZINC000189386570 497102321 /nfs/dbraw/zinc/10/23/21/497102321.db2.gz MQUSRRXLNWGBDA-YADHBBJMSA-N 2 0 353.510 3.401 20 0 FGADRP C[C@@H]1CN(Cc2ccccn2)CC[C@H]1[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000248820744 497110616 /nfs/dbraw/zinc/11/06/16/497110616.db2.gz WTXPTVKLAVMVHW-GHRYLNIYSA-N 2 0 355.526 3.229 20 0 FGADRP CC(C)(C)[C@@H](C[N@@H+]1CCc2ccccc2C1)NC(=O)c1ccc(C[NH3+])cc1 ZINC000236604588 497120540 /nfs/dbraw/zinc/12/05/40/497120540.db2.gz YJAOAENXKVQARD-OAQYLSRUSA-N 2 0 365.521 3.348 20 0 FGADRP CC1CC[NH+]([C@@H](CNC(=O)CCC2CC[NH2+]CC2)c2ccccc2)CC1 ZINC000236650712 497127329 /nfs/dbraw/zinc/12/73/29/497127329.db2.gz IBHQMWVKZAIPMC-NRFANRHFSA-N 2 0 357.542 3.356 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)[C@@]1(C)CC[NH2+]C1)c1ccc(C(F)(F)F)cc1 ZINC000236832503 497153075 /nfs/dbraw/zinc/15/30/75/497153075.db2.gz PUHSTVBWYQJWEY-WMZOPIPTSA-N 2 0 371.447 3.204 20 0 FGADRP COc1cccc([C@H]2[C@H](NC(=O)Nc3ccnc(C)c3)CC[N@@H+]2C2CC2)c1 ZINC000249065473 497157872 /nfs/dbraw/zinc/15/78/72/497157872.db2.gz QDUFQSQUJVXTGP-UXHICEINSA-N 2 0 366.465 3.498 20 0 FGADRP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)c1ccc(Br)cc1F ZINC000249177550 497179342 /nfs/dbraw/zinc/17/93/42/497179342.db2.gz GBJLAPZGWMNJIG-HIFRSBDPSA-N 2 0 373.310 3.476 20 0 FGADRP CC[C@]1(CO)CCC[N@@H+]1Cc1cccc(C[NH+]2CCC[C@@]2(CC)CO)c1 ZINC000189619030 497183625 /nfs/dbraw/zinc/18/36/25/497183625.db2.gz VFTGRCGODLQNHV-SZPZYZBQSA-N 2 0 360.542 3.160 20 0 FGADRP CC[N@H+](CCCN1CC[NH+](C(C)C)CC1)[C@@H](C)Cc1ccc(OC)cc1 ZINC000192738100 497200266 /nfs/dbraw/zinc/20/02/66/497200266.db2.gz JHSXPGKPOXTZIR-FQEVSTJZSA-N 2 0 361.574 3.364 20 0 FGADRP C[C@H]([NH2+][C@@H]1CC(=O)N(c2ccccc2)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000574963124 505892047 /nfs/dbraw/zinc/89/20/47/505892047.db2.gz ZXPMNIPBCRAIMU-SESVDKBCSA-N 2 0 363.505 3.292 20 0 FGADRP CC1CC[NH+](CCc2cccc(NC(=O)N3CC[C@@H](C[NH+](C)C)C3)c2)CC1 ZINC000275036721 497224183 /nfs/dbraw/zinc/22/41/83/497224183.db2.gz GIBXNVDKBLZVGD-FQEVSTJZSA-N 2 0 372.557 3.376 20 0 FGADRP C[C@@H](CC(=O)NCC1CC[NH+](Cc2cccs2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000237416291 497232878 /nfs/dbraw/zinc/23/28/78/497232878.db2.gz XKODLLYDWXIIHS-FUHWJXTLSA-N 2 0 363.571 3.102 20 0 FGADRP C[C@H](C(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1)[C@@H]([NH3+])c1ccccc1 ZINC000237413279 497233052 /nfs/dbraw/zinc/23/30/52/497233052.db2.gz ZQISNWRFYKZXBV-QKNQBKEWSA-N 2 0 357.542 3.437 20 0 FGADRP C[C@H](C(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1)[C@@H]([NH3+])c1ccccc1 ZINC000237518364 497249900 /nfs/dbraw/zinc/24/99/00/497249900.db2.gz LUHCOIYBMZMBER-CTAFRAEOSA-N 2 0 357.542 3.436 20 0 FGADRP C[C@@H]1C[C@@H](N(C)C(=O)c2ccc(C[NH3+])cc2)CC[N@@H+]1Cc1ccccc1 ZINC000237565856 497255940 /nfs/dbraw/zinc/25/59/40/497255940.db2.gz PLVYQKPQLVQXDU-UTKZUKDTSA-N 2 0 351.494 3.270 20 0 FGADRP C[C@@H](CC(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1)[C@@H]1CCC[NH2+]C1 ZINC000237600118 497261157 /nfs/dbraw/zinc/26/11/57/497261157.db2.gz WDAHXUXCTGIKTC-LSDHHAIUSA-N 2 0 367.921 3.245 20 0 FGADRP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[C@@H]([NH3+])c1ccccc1 ZINC000237601482 497261266 /nfs/dbraw/zinc/26/12/66/497261266.db2.gz ANRVFWHFLAUPDT-DYESRHJHSA-N 2 0 351.494 3.103 20 0 FGADRP Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000237608635 497262398 /nfs/dbraw/zinc/26/23/98/497262398.db2.gz BBCUBTSQAHZPTR-YQQQUEKLSA-N 2 0 373.566 3.403 20 0 FGADRP CCC[N@@H+]1CC[C@@H](CNC(=O)NC[C@H](c2ccc(C)cc2)[NH+]2CCCC2)C1 ZINC000250431945 497266640 /nfs/dbraw/zinc/26/66/40/497266640.db2.gz JLXUFHILYOPMET-PZJWPPBQSA-N 2 0 372.557 3.163 20 0 FGADRP CC(C)[NH+]1CCN(CCC[NH2+][C@@H](C[C@H]2CCOC2)c2ccccc2)CC1 ZINC000193003846 497271532 /nfs/dbraw/zinc/27/15/32/497271532.db2.gz SNFOOXQEXCTZDJ-IRLDBZIGSA-N 2 0 359.558 3.160 20 0 FGADRP Brc1ccc2ncc(CNC3CC[NH+](C4CCC4)CC3)n2c1 ZINC000266198870 497278391 /nfs/dbraw/zinc/27/83/91/497278391.db2.gz KSTFVSKUAKUOBQ-UHFFFAOYSA-N 2 0 363.303 3.203 20 0 FGADRP CC(C)(O)C[NH+](Cc1cccc(C[N@@H+](CC(C)(C)O)C2CC2)c1)C1CC1 ZINC000189907863 497288636 /nfs/dbraw/zinc/28/86/36/497288636.db2.gz SDAVQVWHEWHEHQ-UHFFFAOYSA-N 2 0 360.542 3.157 20 0 FGADRP C[C@H](CCNC(=O)N(C)CC1([NH+](C)C)CCC1)[N@H+](C)Cc1ccccc1 ZINC000189937947 497298825 /nfs/dbraw/zinc/29/88/25/497298825.db2.gz JWNSOXZSGKWMKQ-GOSISDBHSA-N 2 0 360.546 3.023 20 0 FGADRP C[C@@H](CCNC(=O)N(C)CC1([NH+](C)C)CCC1)[N@H+](C)Cc1ccccc1 ZINC000189937927 497298983 /nfs/dbraw/zinc/29/89/83/497298983.db2.gz JWNSOXZSGKWMKQ-SFHVURJKSA-N 2 0 360.546 3.023 20 0 FGADRP FC(F)(F)CN1CCC([NH2+]C2CCN(Cc3ccccc3)CC2)CC1 ZINC000237855877 497302963 /nfs/dbraw/zinc/30/29/63/497302963.db2.gz MTNURWHEVPNFHB-UHFFFAOYSA-N 2 0 355.448 3.267 20 0 FGADRP CNC(=O)c1cccc(C[NH2+]C2[C@@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000189957490 497306425 /nfs/dbraw/zinc/30/64/25/497306425.db2.gz FUTGDMOFPUQDKP-ROUUACIJSA-N 2 0 365.521 3.292 20 0 FGADRP C[NH+]1CCC([C@H]2CC[N@H+](Cc3cc4c(cc3OC(F)F)OCO4)C2)CC1 ZINC000569291068 505898287 /nfs/dbraw/zinc/89/82/87/505898287.db2.gz RMBTYGOFEPFKHQ-AWEZNQCLSA-N 2 0 368.424 3.180 20 0 FGADRP CC(C)[NH+]1CCN(C2CC[NH+](CCSCc3ccccc3)CC2)CC1 ZINC000279048518 497316039 /nfs/dbraw/zinc/31/60/39/497316039.db2.gz GWHBBZGAWGBPTE-UHFFFAOYSA-N 2 0 361.599 3.410 20 0 FGADRP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+][C@@H]2CCOC3(CCC3)C2)CC1 ZINC000271344854 497325088 /nfs/dbraw/zinc/32/50/88/497325088.db2.gz HAPJLIHMQQEJPZ-MRXNPFEDSA-N 2 0 363.933 3.283 20 0 FGADRP CC[NH+]1CCN(Cc2ccc(C[NH2+][C@H](C)c3cnccc3C)cc2)CC1 ZINC000271406488 497340528 /nfs/dbraw/zinc/34/05/28/497340528.db2.gz MKYSRCWXMZLWLU-LJQANCHMSA-N 2 0 352.526 3.378 20 0 FGADRP CC[NH+]1CCN(Cc2ccccc2C[NH2+][C@H](C)c2cnccc2C)CC1 ZINC000271454185 497353761 /nfs/dbraw/zinc/35/37/61/497353761.db2.gz OPYHQSUVJOVCDF-LJQANCHMSA-N 2 0 352.526 3.378 20 0 FGADRP C[NH+](C)CCc1ccccc1NC(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000275659065 497395967 /nfs/dbraw/zinc/39/59/67/497395967.db2.gz NXCHRVQYNLBFEL-UHFFFAOYSA-N 2 0 354.498 3.174 20 0 FGADRP CCN(CCC[NH+]1CCCC1)C(=O)N[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000190237996 497409926 /nfs/dbraw/zinc/40/99/26/497409926.db2.gz PPMKYOQMAFYSJD-RTBURBONSA-N 2 0 364.578 3.157 20 0 FGADRP c1c(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)onc1-c1ccccc1 ZINC000266747913 497411735 /nfs/dbraw/zinc/41/17/35/497411735.db2.gz PRJRMEZVTZFULX-UHFFFAOYSA-N 2 0 355.482 3.418 20 0 FGADRP C[NH2+]CCC1CC[NH+]([C@@H](C)C(=O)N[C@H](C)c2ccc(Cl)cc2)CC1 ZINC000261977580 497486245 /nfs/dbraw/zinc/48/62/45/497486245.db2.gz GQEOVIPNVFZDNA-CABCVRRESA-N 2 0 351.922 3.227 20 0 FGADRP C[NH2+]CCC1CC[NH+]([C@H](C)C(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)CC1 ZINC000261996044 497489116 /nfs/dbraw/zinc/48/91/16/497489116.db2.gz NSZPHMQOSOBIPE-ZWKOTPCHSA-N 2 0 371.569 3.453 20 0 FGADRP CC(C)Oc1ccc2ccccc2c1C[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000262161708 497518069 /nfs/dbraw/zinc/51/80/69/497518069.db2.gz STANAVYUURTDOO-IBGZPJMESA-N 2 0 353.510 3.107 20 0 FGADRP CC(C)[NH+]1CCC(NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000267369455 497534808 /nfs/dbraw/zinc/53/48/08/497534808.db2.gz SKROTCBEDOPHLR-RXVVDRJESA-N 2 0 372.557 3.069 20 0 FGADRP C[N@H+](CCCN1CC[NH+](C)CC1)Cc1ccc(Cl)c(C(F)(F)F)c1 ZINC000572206456 505913573 /nfs/dbraw/zinc/91/35/73/505913573.db2.gz VFXMYBBIVQXNBW-UHFFFAOYSA-N 2 0 363.855 3.428 20 0 FGADRP CCCCO[C@@H]1C[C@H]([NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)C1(C)C ZINC000245884389 497559004 /nfs/dbraw/zinc/55/90/04/497559004.db2.gz LHYBRYWFFBTJOM-LWYYNNOASA-N 2 0 352.563 3.328 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21)c1ccccc1 ZINC000245935508 497577512 /nfs/dbraw/zinc/57/75/12/497577512.db2.gz IZKUSQWKBQIBTK-NJDAHSKKSA-N 2 0 372.557 3.195 20 0 FGADRP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000262629465 497587814 /nfs/dbraw/zinc/58/78/14/497587814.db2.gz DLWSUVZNWYFIJR-CZYKHXBRSA-N 2 0 369.553 3.278 20 0 FGADRP C[C@H](NC(=O)c1ccc(C[NH+](C)C)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272300470 497589381 /nfs/dbraw/zinc/58/93/81/497589381.db2.gz PRNBJGDBXCQMQH-PGRDOPGGSA-N 2 0 365.521 3.389 20 0 FGADRP C[C@H](CC(=O)NC1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C)[C@@H]1CCC[NH2+]C1 ZINC000262646398 497590452 /nfs/dbraw/zinc/59/04/52/497590452.db2.gz ODNKTTXHCKDHEZ-ANTGDGSKSA-N 2 0 371.569 3.285 20 0 FGADRP C[C@H](C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1)[C@H]([NH3+])c1ccccc1 ZINC000262655706 497592928 /nfs/dbraw/zinc/59/29/28/497592928.db2.gz UFPAQFYMNKXJNE-IEZWGBDMSA-N 2 0 357.523 3.337 20 0 FGADRP CC[NH+](CC)CCOc1ccc(NC(=O)[C@H]([NH3+])c2ccc(C)cc2)cc1 ZINC000262670196 497595515 /nfs/dbraw/zinc/59/55/15/497595515.db2.gz RIFSJHUQGKSJCT-HXUWFJFHSA-N 2 0 355.482 3.354 20 0 FGADRP CC1CC[NH+](CCc2cccc(NC(=O)N3CCC[N@H+](C)CC3)c2)CC1 ZINC000272324056 497596568 /nfs/dbraw/zinc/59/65/68/497596568.db2.gz BQLYEZLXRAXQBI-UHFFFAOYSA-N 2 0 358.530 3.130 20 0 FGADRP Cc1ccc([C@H]([NH3+])C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cc1 ZINC000262679164 497598052 /nfs/dbraw/zinc/59/80/52/497598052.db2.gz VGCWZNNXRYWJQB-KBRMVUAJSA-N 2 0 363.505 3.307 20 0 FGADRP CCC[C@](C)([NH3+])C(=O)NC[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000262696627 497602286 /nfs/dbraw/zinc/60/22/86/497602286.db2.gz DXRLLCVPIVMFQC-SKDZVZGDSA-N 2 0 355.885 3.106 20 0 FGADRP CN1CCC([NH+]2CCC(NC(=O)c3ccc(C4CCC4)cc3)CC2)CC1 ZINC000190783805 497602880 /nfs/dbraw/zinc/60/28/80/497602880.db2.gz XNCLVHKCARVAFS-UHFFFAOYSA-N 2 0 355.526 3.243 20 0 FGADRP C[C@]1(NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)CC[N@H+](Cc2ccccc2)C1 ZINC000581134812 505917403 /nfs/dbraw/zinc/91/74/03/505917403.db2.gz DBPFRHKBOBSABJ-QFIPXVFZSA-N 2 0 372.557 3.259 20 0 FGADRP CNC(=O)c1cccc(C[NH2+][C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000272463089 497634939 /nfs/dbraw/zinc/63/49/39/497634939.db2.gz KPEAEMZLYSJHTE-LAUBAEHRSA-N 2 0 351.494 3.046 20 0 FGADRP CC(C)[NH2+]C1CCN(C(=O)N[C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000272532334 497654185 /nfs/dbraw/zinc/65/41/85/497654185.db2.gz OXZDRZCCSABTGM-ICSRJNTNSA-N 2 0 372.557 3.069 20 0 FGADRP C[C@@H]1C[C@@H](N(C)C(=O)[C@](C)([NH3+])c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000262928645 497658557 /nfs/dbraw/zinc/65/85/57/497658557.db2.gz SMEICFMDJSKYNS-RZFNWQHOSA-N 2 0 365.521 3.372 20 0 FGADRP Brc1ccccc1N1CC[C@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000246230461 497670179 /nfs/dbraw/zinc/67/01/79/497670179.db2.gz MNLAGGJHHJFRON-HRCADAONSA-N 2 0 364.331 3.244 20 0 FGADRP O=C(CC[NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1)Nc1cccc(F)c1 ZINC000572235949 505922354 /nfs/dbraw/zinc/92/23/54/505922354.db2.gz PGUXZZUOPYBMMT-LJQANCHMSA-N 2 0 369.484 3.309 20 0 FGADRP O[C@H]1CC[N@H+](Cc2ccccc2C[NH2+]C2CCN(c3ccccc3)CC2)C1 ZINC000272710509 497708771 /nfs/dbraw/zinc/70/87/71/497708771.db2.gz AVYUNXOSFWUDDC-QHCPKHFHSA-N 2 0 365.521 3.012 20 0 FGADRP Cc1cc(C[NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)cc2cccnc12 ZINC000578370207 505924663 /nfs/dbraw/zinc/92/46/63/505924663.db2.gz UAWHLBIIPQJFMY-CBQGHPETSA-N 2 0 364.537 3.286 20 0 FGADRP CC(=O)NC1CCC([NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000272730605 497714465 /nfs/dbraw/zinc/71/44/65/497714465.db2.gz ZRHSHRQBIXVHEK-VXGVFTFCSA-N 2 0 369.553 3.324 20 0 FGADRP CC(=O)NC1CCC([NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000272730604 497715088 /nfs/dbraw/zinc/71/50/88/497715088.db2.gz ZRHSHRQBIXVHEK-TTWXDQCFSA-N 2 0 369.553 3.324 20 0 FGADRP COc1ccc2c(c1)[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)CCC2 ZINC000272735372 497715959 /nfs/dbraw/zinc/71/59/59/497715959.db2.gz JQVDMSSUFPNJBS-NZQKXSOJSA-N 2 0 366.505 3.429 20 0 FGADRP C[C@@H](NC(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1)C(C)(C)C[NH+](C)C ZINC000246425039 497729276 /nfs/dbraw/zinc/72/92/76/497729276.db2.gz VYCXJOFDQDKYGN-FGTMMUONSA-N 2 0 354.583 3.020 20 0 FGADRP C[C@H](C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1)[C@H]([NH3+])c1ccccc1 ZINC000263288639 497750049 /nfs/dbraw/zinc/75/00/49/497750049.db2.gz VSJBNBJQPBCWBE-DWLFOUALSA-N 2 0 365.521 3.003 20 0 FGADRP COc1ccc([C@H](CNC(=O)[C@H]2CCCC[C@]2(C)[NH3+])[NH+]2CCCCC2)cc1 ZINC000263293539 497751287 /nfs/dbraw/zinc/75/12/87/497751287.db2.gz VZPCPABEFGIYLO-URVUXULASA-N 2 0 373.541 3.246 20 0 FGADRP CC1CC[NH+](CCNC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000246540642 497768368 /nfs/dbraw/zinc/76/83/68/497768368.db2.gz QDZDBYYKBYQCGA-FPOVZHCZSA-N 2 0 372.557 3.071 20 0 FGADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@H]2C[C@@H](C)[NH+](Cc3ccccc3)C2)C1 ZINC000246564779 497775451 /nfs/dbraw/zinc/77/54/51/497775451.db2.gz NNRBNAKINACESG-GIVPXCGWSA-N 2 0 372.557 3.023 20 0 FGADRP Fc1ccc(-n2ccc(CN3CC[C@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)n2)cc1 ZINC000246566238 497776184 /nfs/dbraw/zinc/77/61/84/497776184.db2.gz LCNCTEHZBVIPBH-KKSFZXQISA-N 2 0 354.473 3.460 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NCc2ccccc2C[NH+]2CCCC2)[C@@H](C)C1 ZINC000246570642 497777935 /nfs/dbraw/zinc/77/79/35/497777935.db2.gz YNLMKFFXGKSTJT-RXVVDRJESA-N 2 0 372.557 3.154 20 0 FGADRP C[C@H](O)C[C@H]1CCC[N@@H+]1Cc1ccc(C[NH+]2CCC[C@H]2C[C@H](C)O)cc1 ZINC000246581615 497781133 /nfs/dbraw/zinc/78/11/33/497781133.db2.gz GDQRNDUHTJCVHH-YHDSQAASSA-N 2 0 360.542 3.157 20 0 FGADRP C[NH+](C)[C@H]1CCC[N@H+](CCC(=O)Nc2ccccc2Br)CC1 ZINC000277260702 497790068 /nfs/dbraw/zinc/79/00/68/497790068.db2.gz QYMULSVJBVWYPZ-AWEZNQCLSA-N 2 0 368.319 3.194 20 0 FGADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000246790021 497811153 /nfs/dbraw/zinc/81/11/53/497811153.db2.gz AHSQFHHVUJLJDO-NQIIRXRSSA-N 2 0 372.557 3.386 20 0 FGADRP C[C@@H]1C[N@@H+](Cc2ccc(C[NH2+][C@H]3CCCc4c3cnn4C)cc2)C[C@H](C)O1 ZINC000246875526 497817953 /nfs/dbraw/zinc/81/79/53/497817953.db2.gz DSKQDIPEWVHARV-FVJLSDCUSA-N 2 0 368.525 3.197 20 0 FGADRP C[C@H](C[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1cc(F)cc(F)c1 ZINC000295866467 497834940 /nfs/dbraw/zinc/83/49/40/497834940.db2.gz XDTAJGRUYJBORB-XMCHAPAWSA-N 2 0 352.469 3.426 20 0 FGADRP C[C@H]([NH2+]Cc1ccc(F)c(C[NH+](C)C)c1)c1ccc(C(=O)N(C)C)cc1 ZINC000292032486 497847776 /nfs/dbraw/zinc/84/77/76/497847776.db2.gz DNKMMMUXXGHBTK-HNNXBMFYSA-N 2 0 357.473 3.440 20 0 FGADRP CCO[C@@H]1C[C@H]([NH2+]C[C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)C12CCOCC2 ZINC000364234204 497853821 /nfs/dbraw/zinc/85/38/21/497853821.db2.gz BNYCVMHRYMSLMV-PLACYPQZSA-N 2 0 358.526 3.243 20 0 FGADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CC[C@H](C)[C@@H](C(=O)OC(C)(C)C)C1 ZINC000569457048 505940129 /nfs/dbraw/zinc/94/01/29/505940129.db2.gz RCCLXPLQQXNYGP-KXBFYZLASA-N 2 0 370.497 3.375 20 0 FGADRP [NH3+]C[C@H](NC(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1)c1ccc2ccccc2c1 ZINC000581240536 505940922 /nfs/dbraw/zinc/94/09/22/505940922.db2.gz JEZNUJRFOJJWNB-FPOVZHCZSA-N 2 0 366.509 3.156 20 0 FGADRP CC(C)[C@H](C[NH2+][C@@H]1C[C@@H](Oc2ccccc2)C1(C)C)N1CC[NH+](C)CC1 ZINC000575204887 505941918 /nfs/dbraw/zinc/94/19/18/505941918.db2.gz UCQALCPAOISOIP-PWRODBHTSA-N 2 0 359.558 3.094 20 0 FGADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@@H]1CCc2nnc(-c3ccc(F)cc3)n2C1 ZINC000569474128 505943967 /nfs/dbraw/zinc/94/39/67/505943967.db2.gz VUAQEQCNMBNAHG-ATZDWAIDSA-N 2 0 371.504 3.299 20 0 FGADRP C[C@H]1C[C@@H](NC(=O)NCc2ccccc2C[NH+]2CCCCCC2)CC[NH2+]1 ZINC000572381060 505954761 /nfs/dbraw/zinc/95/47/61/505954761.db2.gz SJKKWRCKHCGWOT-PXNSSMCTSA-N 2 0 358.530 3.002 20 0 FGADRP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(OCc2nccn2C)cc1 ZINC000364449202 497962917 /nfs/dbraw/zinc/96/29/17/497962917.db2.gz RUJDDUVUXPVJKF-WDSOQIARSA-N 2 0 354.498 3.277 20 0 FGADRP C[C@H]([NH2+]C1(CNC(=O)N2C[C@@H](C[NH3+])C[C@H]2C)CCCC1)c1ccccc1 ZINC000581299981 505955517 /nfs/dbraw/zinc/95/55/17/505955517.db2.gz YOTOUKIUKOVCSO-FGTMMUONSA-N 2 0 358.530 3.029 20 0 FGADRP CCn1ccnc1CNC(=O)NCc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000296280148 497983017 /nfs/dbraw/zinc/98/30/17/497983017.db2.gz MXDFWOAMUBWMEU-QGZVFWFLSA-N 2 0 369.513 3.277 20 0 FGADRP CCn1ccnc1C[N@H+](CCCCC1CCOCC1)[C@H]1CC12CC[NH2+]CC2 ZINC000578533314 505962293 /nfs/dbraw/zinc/96/22/93/505962293.db2.gz CRKWATIEUHJZGL-FQEVSTJZSA-N 2 0 374.573 3.444 20 0 FGADRP C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCCC[N@@H+]2Cc2ccc(-n3ccnc3)nc2)C1 ZINC000281077387 498011847 /nfs/dbraw/zinc/01/18/47/498011847.db2.gz UFBKNOOEYUJCNG-LMCOJAPRSA-N 2 0 354.498 3.419 20 0 FGADRP COc1ccc(C[N@@H+]2CCCN(C(=O)[C@H]3CCCCCC[C@@H]3[NH3+])CC2)cc1 ZINC000575397731 505971651 /nfs/dbraw/zinc/97/16/51/505971651.db2.gz DXZATCVXQXDIGF-SFTDATJTSA-N 2 0 373.541 3.027 20 0 FGADRP CC1CC[NH+](CCCC[NH2+]CCC(=O)Nc2cc(F)cc(F)c2)CC1 ZINC000569595750 505972753 /nfs/dbraw/zinc/97/27/53/505972753.db2.gz UKFPHDZHCMLSFE-UHFFFAOYSA-N 2 0 353.457 3.395 20 0 FGADRP COc1ccc(C[C@@H](C)C[NH2+]CC2(SC)CC[NH+](C)CC2)cc1F ZINC000569655289 505985651 /nfs/dbraw/zinc/98/56/51/505985651.db2.gz NNUKGQBZGJFTLZ-OAHLLOKOSA-N 2 0 354.535 3.430 20 0 FGADRP Cc1ccccc1C(=O)NC1CC[NH+](Cc2ccc3c(c2)C[NH2+]CC3)CC1 ZINC000572532818 505991125 /nfs/dbraw/zinc/99/11/25/505991125.db2.gz FFPOVMOTVKWDJU-UHFFFAOYSA-N 2 0 363.505 3.035 20 0 FGADRP Cc1ccn(C2CC[NH+](CCC[NH+]3CCC(n4ccc(C)n4)CC3)CC2)n1 ZINC000364890646 498194097 /nfs/dbraw/zinc/19/40/97/498194097.db2.gz KQMGDELCPAULGO-UHFFFAOYSA-N 2 0 370.545 3.061 20 0 FGADRP C[NH2+][C@H]1CCCN(C(=O)NCC2([NH2+][C@H](C)c3ccccc3)CCCC2)C1 ZINC000569695174 505996029 /nfs/dbraw/zinc/99/60/29/505996029.db2.gz IUIPYZAVSRJWBE-MJGOQNOKSA-N 2 0 358.530 3.043 20 0 FGADRP Cc1cc(N[C@H]2C[N@H+](Cc3ccccc3)CC[C@H]2CO)nc(C(C)C)n1 ZINC000301723154 498238997 /nfs/dbraw/zinc/23/89/97/498238997.db2.gz OBCLJPPGBZYGDR-OALUTQOASA-N 2 0 354.498 3.203 20 0 FGADRP C[C@@H](C(=O)Nc1ccccc1OC(F)F)N1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000293056408 498250804 /nfs/dbraw/zinc/25/08/04/498250804.db2.gz UIUZBNLWZGLJJL-IFXJQAMLSA-N 2 0 367.440 3.033 20 0 FGADRP COCCCOc1cccc(C[NH2+]CC2(SC)CC[NH+](C)CC2)c1 ZINC000575792026 506005402 /nfs/dbraw/zinc/00/54/02/506005402.db2.gz UHPUTWMTLUXBOL-UHFFFAOYSA-N 2 0 352.544 3.019 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)C[NH+]2CCC(C)(C)C2)cc1 ZINC000581522716 506006761 /nfs/dbraw/zinc/00/67/61/506006761.db2.gz ANWMFTMLWPIJED-GOSISDBHSA-N 2 0 357.542 3.409 20 0 FGADRP CCN(CCC[NH+](CC)CC)C(=O)C1CCN(c2cc[nH+]cc2C)CC1 ZINC000365030628 498263643 /nfs/dbraw/zinc/26/36/43/498263643.db2.gz XYNZDRHIRXMVNI-UHFFFAOYSA-N 2 0 360.546 3.187 20 0 FGADRP COc1ccc([C@H](C)[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)c(C)c1OC ZINC000286060142 498282074 /nfs/dbraw/zinc/28/20/74/498282074.db2.gz LIFSFSRSWSBLRN-IRXDYDNUSA-N 2 0 362.514 3.164 20 0 FGADRP c1cn2c(n1)[C@H](C[NH2+][C@H]1CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]31)CCC2 ZINC000360642860 498293627 /nfs/dbraw/zinc/29/36/27/498293627.db2.gz RDEKHFLLLKBTHE-BURNTYAHSA-N 2 0 350.510 3.261 20 0 FGADRP Cc1ccc(C)c(OC2CC[NH+](C[C@H](O)[C@@H]([NH3+])Cc3ccccc3)CC2)c1 ZINC000578771012 506016871 /nfs/dbraw/zinc/01/68/71/506016871.db2.gz BAJDUUSKILKNSP-VXKWHMMOSA-N 2 0 368.521 3.078 20 0 FGADRP CSc1ccccc1C[C@H](C)[NH2+]Cc1ccncc1OCC[NH+](C)C ZINC000581571120 506017224 /nfs/dbraw/zinc/01/72/24/506017224.db2.gz AHFIJMVUFCSZED-INIZCTEOSA-N 2 0 359.539 3.465 20 0 FGADRP COC(=O)c1cc2c(o1)c(OC)ccc2C[NH2+]C[C@H]1CC[N@@H+](C(C)C)C1 ZINC000581575496 506018246 /nfs/dbraw/zinc/01/82/46/506018246.db2.gz RSRYLNPCGWGIOH-CQSZACIVSA-N 2 0 360.454 3.048 20 0 FGADRP Cc1nccn1CCCC[NH2+][C@@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)cc1 ZINC000365190626 498343051 /nfs/dbraw/zinc/34/30/51/498343051.db2.gz IAKFSAGAZZUHJZ-IEBWSBKVSA-N 2 0 360.889 3.187 20 0 FGADRP O[C@H](C[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2)CC(F)(F)F ZINC000293349350 498354260 /nfs/dbraw/zinc/35/42/60/498354260.db2.gz NQRQHGRPKSDXJU-KRWDZBQOSA-N 2 0 356.432 3.288 20 0 FGADRP Cc1ccc(C)c(OC[C@@H](O)C[NH2+]C2CC[NH+](C3CCCCC3)CC2)c1 ZINC000569803469 506020473 /nfs/dbraw/zinc/02/04/73/506020473.db2.gz XVZVBXIYTRYSPD-NRFANRHFSA-N 2 0 360.542 3.430 20 0 FGADRP C[C@H]([NH2+][C@H]1CCCO[C@@H]1c1cnn(C)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000289931876 498356653 /nfs/dbraw/zinc/35/66/53/498356653.db2.gz YYQHILXDSZZQSS-XODARUQUSA-N 2 0 368.525 3.140 20 0 FGADRP COC(=O)CCCCC[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000289955817 498369207 /nfs/dbraw/zinc/36/92/07/498369207.db2.gz YBXJNNAVFIQHSQ-UHFFFAOYSA-N 2 0 361.530 3.040 20 0 FGADRP CC(C)[NH+]1CCN(C2CC[NH+](C/C=C/c3ccc(F)c(F)c3)CC2)CC1 ZINC000289999746 498389761 /nfs/dbraw/zinc/38/97/61/498389761.db2.gz LBFFHGHHMQHXCP-ONEGZZNKSA-N 2 0 363.496 3.468 20 0 FGADRP COCCC[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccc(F)cc1 ZINC000282156158 498404564 /nfs/dbraw/zinc/40/45/64/498404564.db2.gz DBQYATSLJYHJPL-LAUBAEHRSA-N 2 0 364.505 3.384 20 0 FGADRP COCC[C@]1(C(=O)Nc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)CC[NH2+]C1 ZINC000361717338 498423085 /nfs/dbraw/zinc/42/30/85/498423085.db2.gz DEVSWFMLZVSWAI-LAUBAEHRSA-N 2 0 359.514 3.016 20 0 FGADRP CC[NH+]1CCC(C[NH2+]Cc2c(C)nn(Cc3ccc(OC)cc3)c2C)CC1 ZINC000581649664 506036665 /nfs/dbraw/zinc/03/66/65/506036665.db2.gz JCQPBVJUHASUFR-UHFFFAOYSA-N 2 0 370.541 3.378 20 0 FGADRP C[C@@H]1CN(C(=O)c2oc3ccccc3c2C[NH+](C)C)CC[N@@H+](C2CCC2)C1 ZINC000293721651 498466532 /nfs/dbraw/zinc/46/65/32/498466532.db2.gz POIZATHJIJIXNB-INIZCTEOSA-N 2 0 369.509 3.441 20 0 FGADRP Cc1cc(N2CC[NH+](CCCc3nc(-c4cccs4)no3)CC2)cc[nH+]1 ZINC000302345437 498470767 /nfs/dbraw/zinc/47/07/67/498470767.db2.gz XJSVEQBUNZOURO-UHFFFAOYSA-N 2 0 369.494 3.256 20 0 FGADRP COCCOc1cc(C)ccc1C[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000297562208 498494372 /nfs/dbraw/zinc/49/43/72/498494372.db2.gz HFQVAOABIDBVGM-UHFFFAOYSA-N 2 0 355.482 3.174 20 0 FGADRP CN(C)C[C@H]([NH2+]C1CCN(CCC(F)(F)F)CC1)c1ccc(F)cc1 ZINC000286854724 498529821 /nfs/dbraw/zinc/52/98/21/498529821.db2.gz AQEPOSFZBBXMLB-KRWDZBQOSA-N 2 0 361.427 3.435 20 0 FGADRP c1cc(C[NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)nc2c1CCC2 ZINC000569932730 506051547 /nfs/dbraw/zinc/05/15/47/506051547.db2.gz QLFQYBOFAUEPFM-UHFFFAOYSA-N 2 0 351.494 3.335 20 0 FGADRP CC(C)c1cc(NC[C@H]2CCC[N@H+](C)C2)nc(NC[C@@H]2CCC[NH+](C)C2)n1 ZINC000302785715 498574466 /nfs/dbraw/zinc/57/44/66/498574466.db2.gz VSFNRMDIKKGAST-MSOLQXFVSA-N 2 0 374.577 3.107 20 0 FGADRP C[C@H](CC[NH2+]C[C@H](O)Cc1ccccc1C(F)(F)F)[NH+]1CCCCC1 ZINC000569961184 506056820 /nfs/dbraw/zinc/05/68/20/506056820.db2.gz ADBOSMJQFJZUNH-NVXWUHKLSA-N 2 0 358.448 3.463 20 0 FGADRP COC[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1cccc(Cl)c1 ZINC000290554616 498594980 /nfs/dbraw/zinc/59/49/80/498594980.db2.gz DGEUSWLXWVBKIC-RTWAWAEBSA-N 2 0 374.912 3.384 20 0 FGADRP COc1cc(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)ccc1OC(F)F ZINC000572841577 506065837 /nfs/dbraw/zinc/06/58/37/506065837.db2.gz IEYARFUNIFFKBA-UHFFFAOYSA-N 2 0 363.408 3.450 20 0 FGADRP c1nn(Cc2ccccc2)cc1C[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000570035763 506074592 /nfs/dbraw/zinc/07/45/92/506074592.db2.gz ROAIEBHAOIJJOY-JTHBVZDNSA-N 2 0 374.488 3.277 20 0 FGADRP Fc1cc(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)ccc1-n1ccnc1 ZINC000298228270 498702015 /nfs/dbraw/zinc/70/20/15/498702015.db2.gz BBIVCVWSVZSCNS-UHFFFAOYSA-N 2 0 351.429 3.165 20 0 FGADRP O=C(c1ccccc1)N1CC[C@@H](C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)C1 ZINC000283021545 498747856 /nfs/dbraw/zinc/74/78/56/498747856.db2.gz GWSKLPZZXGRRSH-FPOVZHCZSA-N 2 0 355.526 3.099 20 0 FGADRP O[C@@H](C[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1)COc1ccccc1Cl ZINC000311424419 498752545 /nfs/dbraw/zinc/75/25/45/498752545.db2.gz FQZZBEBSUQEYHA-OALUTQOASA-N 2 0 374.912 3.191 20 0 FGADRP COC(=O)c1ccc(C[NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)cc1 ZINC000313115929 498765812 /nfs/dbraw/zinc/76/58/12/498765812.db2.gz ZSEVLTPXKUEDOQ-BHIFYINESA-N 2 0 364.489 3.473 20 0 FGADRP C[S@](=O)C1(C[NH2+][C@@H]2CCCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000287468096 498767958 /nfs/dbraw/zinc/76/79/58/498767958.db2.gz MFVNMPVFKIZHFM-KSYXXAMZSA-N 2 0 360.567 3.178 20 0 FGADRP C[C@@H]([NH2+]CC1CC[NH2+]CC1)c1ccc(F)c(I)c1 ZINC000576146578 506087892 /nfs/dbraw/zinc/08/78/92/506087892.db2.gz RZGPHOVGIHCEFR-SNVBAGLBSA-N 2 0 362.230 3.081 20 0 FGADRP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1ccc2c[nH+]cn2c1 ZINC000572945909 506089782 /nfs/dbraw/zinc/08/97/82/506089782.db2.gz OJEMOYHYFHKQEB-FQEVSTJZSA-N 2 0 350.466 3.221 20 0 FGADRP CCC[NH+](CCC)CCCC(=O)NC[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000363399400 498800968 /nfs/dbraw/zinc/80/09/68/498800968.db2.gz YCPMUMXEYLTDSA-OAQYLSRUSA-N 2 0 374.573 3.312 20 0 FGADRP C[C@@H]([NH2+]Cc1ccccc1OCC[NH+](C)C)c1cccc(-n2ccnn2)c1 ZINC000287597749 498808769 /nfs/dbraw/zinc/80/87/69/498808769.db2.gz ILEIEMBDGBXZLN-QGZVFWFLSA-N 2 0 365.481 3.059 20 0 FGADRP C[C@@H](C[NH2+]C[C@H](O)COc1c(Cl)cccc1Cl)C[NH+]1CCCC1 ZINC000320702068 498808881 /nfs/dbraw/zinc/80/88/81/498808881.db2.gz INZRMFZPCWVRKN-KBPBESRZSA-N 2 0 361.313 3.055 20 0 FGADRP C[C@@H](C[NH2+]C[C@@H](O)COc1ccc(Cl)cc1Cl)C[NH+]1CCCC1 ZINC000320728116 498808965 /nfs/dbraw/zinc/80/89/65/498808965.db2.gz NCAGABKKPUJXTK-DZGCQCFKSA-N 2 0 361.313 3.055 20 0 FGADRP CC[NH+]1CCC(C[NH2+]C[C@@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000321584889 498814030 /nfs/dbraw/zinc/81/40/30/498814030.db2.gz PFNKEHMLHFZWEP-CQSZACIVSA-N 2 0 361.313 3.055 20 0 FGADRP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)NCCCC[NH+]1CCC[C@H](C)C1 ZINC000570122076 506094729 /nfs/dbraw/zinc/09/47/29/506094729.db2.gz VFKRNYLIBDSVNM-VQTJNVASSA-N 2 0 374.573 3.318 20 0 FGADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CCC[C@H]2CC(=O)c2cccs2)CC1 ZINC000283255343 498831396 /nfs/dbraw/zinc/83/13/96/498831396.db2.gz KFIBGKDBBSPRGU-SFHVURJKSA-N 2 0 363.571 3.201 20 0 FGADRP O=C(NCCC[NH2+]C1CCCCC1)NCc1ccccc1Cn1ccnc1 ZINC000298656075 498840315 /nfs/dbraw/zinc/84/03/15/498840315.db2.gz OLHMFDDFPKEOES-UHFFFAOYSA-N 2 0 369.513 3.043 20 0 FGADRP C[N@@H+]1CC[C@H](CNC(=O)[C@@H]([NH3+])c2ccccc2)[C@@H]1c1cccc(Cl)c1 ZINC000366332257 498877418 /nfs/dbraw/zinc/87/74/18/498877418.db2.gz YVTIRGPGCVJGTA-NEWSRXKRSA-N 2 0 357.885 3.149 20 0 FGADRP COc1cccc(NC(=O)CC[NH2+][C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000298881275 498906058 /nfs/dbraw/zinc/90/60/58/498906058.db2.gz KESXZMJLZNDWEA-IRXDYDNUSA-N 2 0 359.514 3.266 20 0 FGADRP C[C@@H]1CCC[N@@H+]1C1CCN(C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)CC1 ZINC000366513325 498960751 /nfs/dbraw/zinc/96/07/51/498960751.db2.gz LZASYROCXPNXKW-IEBWSBKVSA-N 2 0 374.529 3.075 20 0 FGADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H]1CCS(=O)(=O)c2c(F)cccc21 ZINC000363748021 498972415 /nfs/dbraw/zinc/97/24/15/498972415.db2.gz RUAONBQITLRDMH-YOEHRIQHSA-N 2 0 356.507 3.144 20 0 FGADRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@@H]1CCS(=O)(=O)c2c(F)cccc21 ZINC000363748019 498973023 /nfs/dbraw/zinc/97/30/23/498973023.db2.gz RUAONBQITLRDMH-RHSMWYFYSA-N 2 0 356.507 3.144 20 0 FGADRP FC(F)(F)COc1ccc(C[N@@H+]2CCC[C@H](N3CCOCC3)CC2)cc1 ZINC000573112205 506121359 /nfs/dbraw/zinc/12/13/59/506121359.db2.gz APPUIFZZJRXCNN-KRWDZBQOSA-N 2 0 372.431 3.314 20 0 FGADRP C[C@]1(NC(=O)NCCCCC[NH+]2CCCC2)CC[N@H+](Cc2ccccc2)C1 ZINC000582066432 506126278 /nfs/dbraw/zinc/12/62/78/506126278.db2.gz CJKDZHDFFHXMRE-QFIPXVFZSA-N 2 0 372.557 3.216 20 0 FGADRP C[NH+]1CCC(N2CC[C@H]([NH2+][C@H](c3ccc(F)cc3)c3ccccn3)C2)CC1 ZINC000363832660 499015940 /nfs/dbraw/zinc/01/59/40/499015940.db2.gz XQZLFMXOKDFFDI-SIKLNZKXSA-N 2 0 368.500 3.068 20 0 FGADRP Cc1nn(C(C)(C)C)c(C)c1CNCc1ccncc1OCCC[NH+](C)C ZINC000288414728 499018491 /nfs/dbraw/zinc/01/84/91/499018491.db2.gz ARZYQQZTONAJEI-UHFFFAOYSA-N 2 0 373.545 3.270 20 0 FGADRP CC(C)[C@@H](Cn1cccn1)[NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000284042240 499035929 /nfs/dbraw/zinc/03/59/29/499035929.db2.gz LVBUCGRHKSAKNX-OAQYLSRUSA-N 2 0 356.514 3.171 20 0 FGADRP C[NH+]1CCC(Oc2ccc(C[NH2+]Cc3cccc4c3OCO4)cc2)CC1 ZINC000284049757 499038132 /nfs/dbraw/zinc/03/81/32/499038132.db2.gz PHZYNCHZDZUEKT-UHFFFAOYSA-N 2 0 354.450 3.178 20 0 FGADRP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000299409338 499049854 /nfs/dbraw/zinc/04/98/54/499049854.db2.gz ZCIYRSPTBBCSEO-FQEVSTJZSA-N 2 0 357.542 3.135 20 0 FGADRP CC1CC[NH+](C2CCC([NH2+]Cc3cnnn3Cc3ccccc3)CC2)CC1 ZINC000291765108 499060160 /nfs/dbraw/zinc/06/01/60/499060160.db2.gz SAUKLCXJPAHCLL-UHFFFAOYSA-N 2 0 367.541 3.459 20 0 FGADRP Cc1ccc([C@H]([NH3+])C(=O)NC[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)cc1 ZINC000366819488 499083777 /nfs/dbraw/zinc/08/37/77/499083777.db2.gz GJWQTZCTIFSQDU-NEWSRXKRSA-N 2 0 357.523 3.256 20 0 FGADRP C[C@@H]1CN(Cc2cccc(C[NH2+]Cc3cnc(C(C)(C)C)nc3)c2)CCO1 ZINC000284424827 499105538 /nfs/dbraw/zinc/10/55/38/499105538.db2.gz RNBLDQPJLAYFJY-QGZVFWFLSA-N 2 0 368.525 3.285 20 0 FGADRP COc1ccc2c(c1)[C@H](C)C[N@@H+](CCCN1CC[NH+](C(C)C)CC1)CC2 ZINC000367043394 499138949 /nfs/dbraw/zinc/13/89/49/499138949.db2.gz PWBBFIMYXDEUIP-LJQANCHMSA-N 2 0 359.558 3.073 20 0 FGADRP C[NH+]1CCN(C[C@@H]2CCC[N@H+](CCCOc3cccc(Cl)c3)C2)CC1 ZINC000367110428 499150167 /nfs/dbraw/zinc/15/01/67/499150167.db2.gz NFQOPZGETMAJTI-GOSISDBHSA-N 2 0 365.949 3.068 20 0 FGADRP CO[C@@H](C[N@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccc(Cl)cc1 ZINC000367288611 499173735 /nfs/dbraw/zinc/17/37/35/499173735.db2.gz HILCEMZRNIDYPZ-PMACEKPBSA-N 2 0 365.949 3.128 20 0 FGADRP Fc1ccc(CC[NH+]2CCC(NC3CC([NH+]4CCCCC4)C3)CC2)cc1 ZINC000370130585 499185251 /nfs/dbraw/zinc/18/52/51/499185251.db2.gz HSPURDYTKRDZNC-UHFFFAOYSA-N 2 0 359.533 3.439 20 0 FGADRP CCN(C(=O)C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1)[C@H](C)c1ccc(F)cc1 ZINC000576346450 506136555 /nfs/dbraw/zinc/13/65/55/506136555.db2.gz OXAINAPSUHOVQD-VQIMIIECSA-N 2 0 361.505 3.057 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)N1CCC(c2c[nH]cn2)CC1)c1ccccc1 ZINC000370226054 499199429 /nfs/dbraw/zinc/19/94/29/499199429.db2.gz BNTYHHFYHXHLGE-FQEVSTJZSA-N 2 0 369.513 3.382 20 0 FGADRP Cn1cc([C@H]2[C@@H](C[NH2+][C@@H]3Cc4[nH]c5ccccc5c4C3)CCCN2C)cn1 ZINC000370250254 499202200 /nfs/dbraw/zinc/20/22/00/499202200.db2.gz ZOWMKDOPOIBTAA-ULYRPOKDSA-N 2 0 363.509 3.041 20 0 FGADRP C[C@@H]([NH2+][C@@H]1CCCc2n[nH]cc21)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000367585003 499215148 /nfs/dbraw/zinc/21/51/48/499215148.db2.gz CELWNDTWXLMQST-RDTXWAMCSA-N 2 0 357.477 3.029 20 0 FGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+][C@H]2CCCc3n[nH]cc32)CC1 ZINC000367589802 499215688 /nfs/dbraw/zinc/21/56/88/499215688.db2.gz QUWOWTUJCGBOSM-BEFAXECRSA-N 2 0 371.504 3.419 20 0 FGADRP C[N@@H+]1CC[C@H]([NH2+]Cc2cccc(NC(=O)c3ccco3)c2)[C@H]2CCC[C@@H]21 ZINC000367611329 499217530 /nfs/dbraw/zinc/21/75/30/499217530.db2.gz BQMSNTYGXAQPPV-QYZOEREBSA-N 2 0 353.466 3.494 20 0 FGADRP COc1ccc(Cl)cc1NC(=O)CC[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000367621763 499218970 /nfs/dbraw/zinc/21/89/70/499218970.db2.gz TVTKLVMMYUSSCN-INMHGKMJSA-N 2 0 365.905 3.140 20 0 FGADRP CN1CC[NH+](CC2CC[NH+](Cc3cccn3Cc3cccs3)CC2)CC1 ZINC000367668720 499223274 /nfs/dbraw/zinc/22/32/74/499223274.db2.gz JQAQHVZMIFPDHY-UHFFFAOYSA-N 2 0 372.582 3.057 20 0 FGADRP C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C[C@]2(C)CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000367702035 499226261 /nfs/dbraw/zinc/22/62/61/499226261.db2.gz LNXSFSNLSRMDSI-QKLQHJQFSA-N 2 0 351.535 3.050 20 0 FGADRP CSc1nnc(CCC[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)n1CC(C)C ZINC000367751728 499231020 /nfs/dbraw/zinc/23/10/20/499231020.db2.gz GEFNXJKMGKHEHM-ZACQAIPSSA-N 2 0 365.591 3.051 20 0 FGADRP Cn1cc2c(n1)CCC[C@H]2[NH2+]CC1CC[NH+](CCc2ccccc2)CC1 ZINC000370604279 499235030 /nfs/dbraw/zinc/23/50/30/499235030.db2.gz YRZYLWXVRFYNRY-OAQYLSRUSA-N 2 0 352.526 3.342 20 0 FGADRP COc1ccc([C@@H]2CCCC[C@H]2[NH2+]C[C@@H](C)N2CC[NH+](C)CC2)cc1F ZINC000370628123 499237196 /nfs/dbraw/zinc/23/71/96/499237196.db2.gz HVKFNUXXVPMWNG-IMFGXOCKSA-N 2 0 363.521 3.086 20 0 FGADRP C[C@@H]([NH2+]Cc1ccc(-n2ccnc2)nc1)c1cccc(OCC[NH+](C)C)c1 ZINC000370669665 499242222 /nfs/dbraw/zinc/24/22/22/499242222.db2.gz OZMHTADMAHWNTD-QGZVFWFLSA-N 2 0 365.481 3.059 20 0 FGADRP C[C@H](C(=O)N1C[C@@H]2C[N@H+](C)[C@H](c3ccccc3)[C@@H]2C1)[C@H]([NH3+])c1ccccc1 ZINC000370772360 499253232 /nfs/dbraw/zinc/25/32/32/499253232.db2.gz KXQMKGQKAYHQQW-GSNCRSPSSA-N 2 0 363.505 3.084 20 0 FGADRP C[C@H](O)c1ncc(CNC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)s1 ZINC000368043668 499258770 /nfs/dbraw/zinc/25/87/70/499258770.db2.gz XALQIROFAHWYSW-PKSQDBQZSA-N 2 0 363.449 3.091 20 0 FGADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+][C@@H]1CC12CCN(C(=O)OC(C)(C)C)CC2 ZINC000368047334 499259304 /nfs/dbraw/zinc/25/93/04/499259304.db2.gz SWTVTOYOYKBTGY-WCXIOVBPSA-N 2 0 351.535 3.094 20 0 FGADRP C[C@@H]1C[C@H](CNC(=O)c2ccccc2C[NH+](C)C)C[N@@H+]1Cc1ccccc1 ZINC000368213422 499274417 /nfs/dbraw/zinc/27/44/17/499274417.db2.gz KXGBIHJHQARMOY-UYAOXDASSA-N 2 0 365.521 3.389 20 0 FGADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@H]2CCCN(c3ccc(Cl)cc3Cl)C2=O)C1 ZINC000576360469 506139514 /nfs/dbraw/zinc/13/95/14/506139514.db2.gz SIDQPLXUCWCKAP-IPYPFGDCSA-N 2 0 356.297 3.348 20 0 FGADRP C[C@H]([NH2+]Cc1ccnc(-n2ccnc2)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000368421215 499294146 /nfs/dbraw/zinc/29/41/46/499294146.db2.gz BZJFPIDSXLHHHO-GHTZIAJQSA-N 2 0 361.493 3.268 20 0 FGADRP C[NH+]1CCC(Oc2ccc(C[NH2+][C@@H]3CCO[C@H](C(F)(F)F)C3)cc2)CC1 ZINC000368581705 499309858 /nfs/dbraw/zinc/30/98/58/499309858.db2.gz CFWXRDJXMOEWPJ-QAPCUYQASA-N 2 0 372.431 3.359 20 0 FGADRP CC[N@@H+]1CC[C@@H](N(C)Cc2nc3c(s2)C[NH+](C(C)C)CC3)[C@@H](C)C1 ZINC000368610764 499313425 /nfs/dbraw/zinc/31/34/25/499313425.db2.gz DKHQPSYNCOCASB-DOTOQJQBSA-N 2 0 350.576 3.072 20 0 FGADRP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2Cc1cccc(-c2cccnc2)c1 ZINC000371468345 499330712 /nfs/dbraw/zinc/33/07/12/499330712.db2.gz APSGGKWMDFEZIF-BHIFYINESA-N 2 0 351.494 3.432 20 0 FGADRP COc1ccc(OCCC[N@H+](C)C2CC[NH+](C3CCOCC3)CC2)cc1 ZINC000368850269 499339501 /nfs/dbraw/zinc/33/95/01/499339501.db2.gz IUBANGJJUITUAM-UHFFFAOYSA-N 2 0 362.514 3.039 20 0 FGADRP CC1CC[NH+](CC2CCN(C(=O)c3cccc(C[NH+](C)C)c3)CC2)CC1 ZINC000371762544 499362966 /nfs/dbraw/zinc/36/29/66/499362966.db2.gz LAYBZVMVWPSXTC-UHFFFAOYSA-N 2 0 357.542 3.332 20 0 FGADRP C(=C/C[N@@H+]1CC[C@H](C2CCOCC2)C1)\C[NH+]1CC[C@H](C2CCOCC2)C1 ZINC000372270790 499415774 /nfs/dbraw/zinc/41/57/74/499415774.db2.gz UQCASXRPMZKGHP-HNSCLNPNSA-N 2 0 362.558 3.040 20 0 FGADRP Cc1ccc(NC(=O)CC[NH2+][C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)nc1 ZINC000372348722 499423609 /nfs/dbraw/zinc/42/36/09/499423609.db2.gz QSRVMQPSTUMWDZ-ICSRJNTNSA-N 2 0 366.509 3.219 20 0 FGADRP Cc1oc(-c2ccccc2)nc1CN1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000373179373 499455723 /nfs/dbraw/zinc/45/57/23/499455723.db2.gz ZAZGBAFPZMKYSE-KRWDZBQOSA-N 2 0 368.525 3.250 20 0 FGADRP CC(C)[N@@H+]1CCc2nc(CN3CCC(CCC[NH+](C)C)CC3)sc2C1 ZINC000373257028 499460071 /nfs/dbraw/zinc/46/00/71/499460071.db2.gz CYVVFDMWTAHYFZ-UHFFFAOYSA-N 2 0 364.603 3.463 20 0 FGADRP C[NH+]1CCC(C[NH2+][C@@H](c2cccnc2)C2CCC2)(N2CCCCC2)CC1 ZINC000373640998 499481402 /nfs/dbraw/zinc/48/14/02/499481402.db2.gz ADSIKDCODRDKKW-OAQYLSRUSA-N 2 0 356.558 3.463 20 0 FGADRP C[C@H]1[NH+](C/C=C/C[N@@H+]2CCC3(CCOCC3)[C@H]2C)CCC12CCOCC2 ZINC000375241967 499498372 /nfs/dbraw/zinc/49/83/72/499498372.db2.gz MJTGNJQSKMJLDW-FMEUAVTJSA-N 2 0 362.558 3.325 20 0 FGADRP CCC[NH+]1CCN(C2CC[NH+](Cc3cc(C)c(OC)c(C)c3)CC2)CC1 ZINC000378340459 499503723 /nfs/dbraw/zinc/50/37/23/499503723.db2.gz HTFFURYXCNNZPN-UHFFFAOYSA-N 2 0 359.558 3.304 20 0 FGADRP C[C@@H]1C[N@@H+]([C@@H]2CC[C@@](C)(c3ccccc3)C2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000375358013 499510211 /nfs/dbraw/zinc/51/02/11/499510211.db2.gz USQMCCBVMWDUGW-XBYSBRQOSA-N 2 0 355.570 3.455 20 0 FGADRP C[C@@H](NC(=O)c1cccc(C[NH+](C)C)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000378490300 499523489 /nfs/dbraw/zinc/52/34/89/499523489.db2.gz DKZLRKBMFZJVCE-GCJKJVERSA-N 2 0 365.521 3.389 20 0 FGADRP c1ccc2c(c1)[nH]c1c2C[C@H]([NH2+]C2CCN(CCc3ccncc3)CC2)C1 ZINC000375585558 499535141 /nfs/dbraw/zinc/53/51/41/499535141.db2.gz UGDFTTQIZZKQBY-IBGZPJMESA-N 2 0 360.505 3.327 20 0 FGADRP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@H]([NH3+])CC1CCCCC1 ZINC000382724664 499546148 /nfs/dbraw/zinc/54/61/48/499546148.db2.gz RCNGBJKGQMIDAK-LEWJYISDSA-N 2 0 357.542 3.265 20 0 FGADRP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)NCc1ccccc1C[NH+]1CCC(C)CC1 ZINC000582171320 506149971 /nfs/dbraw/zinc/14/99/71/506149971.db2.gz DVETZYGRJSBOHV-RXVVDRJESA-N 2 0 372.557 3.330 20 0 FGADRP C[N@H+](Cc1ccccc1CNC(=O)N[C@@H]1CCC[NH2+]C1)C1CCCCC1 ZINC000582170734 506150008 /nfs/dbraw/zinc/15/00/08/506150008.db2.gz NJDDDRXRXKMLDS-LJQANCHMSA-N 2 0 358.530 3.002 20 0 FGADRP Cc1oc(-c2cccs2)nc1CN1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000375904133 499567025 /nfs/dbraw/zinc/56/70/25/499567025.db2.gz JPVGDHYUDHTPBA-QGZVFWFLSA-N 2 0 374.554 3.312 20 0 FGADRP c1ccc(C[NH+]2CCC(NC[C@@H]3CCC[N@@H+]3C3CCCCC3)CC2)nc1 ZINC000376003918 499575479 /nfs/dbraw/zinc/57/54/79/499575479.db2.gz PMNZDMGQXUSZPH-QFIPXVFZSA-N 2 0 356.558 3.433 20 0 FGADRP COc1cccc(-c2noc(CN[C@H](C)[C@H]3CCC[N@@H+](C4CCC4)C3)n2)c1 ZINC000376305819 499599157 /nfs/dbraw/zinc/59/91/57/499599157.db2.gz KHSTVKCNQCXRKY-WBVHZDCISA-N 2 0 370.497 3.488 20 0 FGADRP C[C@H]1CCC[N@H+](CCCC[NH2+]C[C@H](O)COc2cccc3[nH]ccc32)C1 ZINC000582176190 506151658 /nfs/dbraw/zinc/15/16/58/506151658.db2.gz HCINFNRCZSOSOS-ROUUACIJSA-N 2 0 359.514 3.009 20 0 FGADRP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]CCc1ccccc1OC(F)F ZINC000376417073 499607272 /nfs/dbraw/zinc/60/72/72/499607272.db2.gz WLWXAYGQBROETK-NJAFHUGGSA-N 2 0 368.468 3.310 20 0 FGADRP O=C(NC1CC[NH+](C2CC2)CC1)[C@H]1CCn2c(cnc2C2CCCCC2)C1 ZINC000376643456 499625537 /nfs/dbraw/zinc/62/55/37/499625537.db2.gz NRMGTZIWZUQHLC-KRWDZBQOSA-N 2 0 370.541 3.236 20 0 FGADRP Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)C12CCC[NH+]1CCC2 ZINC000377096293 499661820 /nfs/dbraw/zinc/66/18/20/499661820.db2.gz ZCKUGIXUUYVCFV-UHFFFAOYSA-N 2 0 359.539 3.111 20 0 FGADRP C[NH+]1CCC2(CCC[N@@H+]2C[C@]2(C)CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000377112660 499663330 /nfs/dbraw/zinc/66/33/30/499663330.db2.gz LIXYTFKBVWQVGP-LJQANCHMSA-N 2 0 351.535 3.194 20 0 FGADRP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)NC[C@H]1CCCC[NH+](Cc2ccccc2)C1 ZINC000573261655 506156204 /nfs/dbraw/zinc/15/62/04/506156204.db2.gz QRIUKMBNENLVJD-TZIWHRDSSA-N 2 0 374.573 3.317 20 0 FGADRP C[C@@H](c1ccc(S(C)(=O)=O)cc1)[N@H+](C)C1CCN(c2cc[nH+]cc2)CC1 ZINC000377709836 499723702 /nfs/dbraw/zinc/72/37/02/499723702.db2.gz VKJVYWLREBJGDA-INIZCTEOSA-N 2 0 373.522 3.147 20 0 FGADRP CNC(=O)c1ccc(C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC000377757841 499729409 /nfs/dbraw/zinc/72/94/09/499729409.db2.gz GFFXPUKUASDQKP-FCHUYYIVSA-N 2 0 363.505 3.000 20 0 FGADRP CC(CC[NH2+][C@]1(C)CCO[C@@H]1C1CC1)CC[NH2+][C@]1(C)CCO[C@@H]1C1CC1 ZINC000411509157 499749369 /nfs/dbraw/zinc/74/93/69/499749369.db2.gz CJBPZGHYWDQTNP-GXRSIYKFSA-N 2 0 364.574 3.497 20 0 FGADRP CC[NH+]1CCC(NC(=O)C[NH2+][C@H](C)C2(c3ccccc3)CCCC2)CC1 ZINC000411560925 499763343 /nfs/dbraw/zinc/76/33/43/499763343.db2.gz PQPFXZVTLOOUHX-GOSISDBHSA-N 2 0 357.542 3.077 20 0 FGADRP CCCC[C@@H]([NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1)c1ccccc1 ZINC000414185592 499766883 /nfs/dbraw/zinc/76/68/83/499766883.db2.gz GRZBTPKJHADQQO-OAQYLSRUSA-N 2 0 359.558 3.304 20 0 FGADRP CC(C)C[C@H]([NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1)c1cccs1 ZINC000414184898 499767068 /nfs/dbraw/zinc/76/70/68/499767068.db2.gz GAKCIJOKXPOYSG-SFHVURJKSA-N 2 0 365.587 3.222 20 0 FGADRP CC[C@@H]([NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1)c1cccc(Cl)c1 ZINC000414199146 499767775 /nfs/dbraw/zinc/76/77/75/499767775.db2.gz QSVCYDWHGQOHTE-LJQANCHMSA-N 2 0 365.949 3.177 20 0 FGADRP C[C@H]1CC[C@@H]([NH2+]CC2(N3CCOCC3)CC[NH+](C)CC2)c2ccccc21 ZINC000414200238 499767989 /nfs/dbraw/zinc/76/79/89/499767989.db2.gz RPCZUDAKDSODAM-GHTZIAJQSA-N 2 0 357.542 3.011 20 0 FGADRP CCC[C@H]([NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1)C1CCCCC1 ZINC000414207149 499768472 /nfs/dbraw/zinc/76/84/72/499768472.db2.gz ZDHJTJHTGRBOFN-FQEVSTJZSA-N 2 0 351.579 3.122 20 0 FGADRP OC1(C[NH2+][C@@H]2CCCC[C@H]2[C@H]2CCOC2)CC[NH+](Cc2ccccc2)CC1 ZINC000414294293 499775155 /nfs/dbraw/zinc/77/51/55/499775155.db2.gz BXFTZIFETZXIFB-FDFHNCONSA-N 2 0 372.553 3.198 20 0 FGADRP CC(C)O[C@@H]1C[C@H]([NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)C1(C)C ZINC000414305772 499776118 /nfs/dbraw/zinc/77/61/18/499776118.db2.gz NQRSHECDNFPEMT-VQTJNVASSA-N 2 0 360.542 3.195 20 0 FGADRP CC(C)O[C@H]1C[C@@H]([NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)C1(C)C ZINC000414305767 499776158 /nfs/dbraw/zinc/77/61/58/499776158.db2.gz NQRSHECDNFPEMT-UXHICEINSA-N 2 0 360.542 3.195 20 0 FGADRP C[C@H]([NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1)c1ccc(Cl)cn1 ZINC000414308994 499776300 /nfs/dbraw/zinc/77/63/00/499776300.db2.gz REMOHPAIIGOSQL-INIZCTEOSA-N 2 0 359.901 3.413 20 0 FGADRP NC(=O)C1CC[NH+](Cc2ccc(C[NH2+][C@H]3CCC[C@H](C4CC4)C3)cc2)CC1 ZINC000414330039 499778314 /nfs/dbraw/zinc/77/83/14/499778314.db2.gz RDHQJNROWNRGCM-VXKWHMMOSA-N 2 0 369.553 3.442 20 0 FGADRP CC[NH+]1CCC(NC(=O)C[NH2+][C@@H]2CC(C)(C)CCc3ccccc32)CC1 ZINC000411697359 499779520 /nfs/dbraw/zinc/77/95/20/499779520.db2.gz SASHNIRUWDJXNN-HXUWFJFHSA-N 2 0 357.542 3.280 20 0 FGADRP CCc1cc(N2CCC[C@@H]([NH2+]C3CC[NH+](C4CCCCC4)CC3)C2)ncn1 ZINC000414351245 499780055 /nfs/dbraw/zinc/78/00/55/499780055.db2.gz MXBSPDAPWDFAGE-HXUWFJFHSA-N 2 0 371.573 3.395 20 0 FGADRP Cc1occc1C[NH+]1CCC(C(=O)NCC[N@@H+](C)Cc2ccccc2)CC1 ZINC000414398702 499786469 /nfs/dbraw/zinc/78/64/69/499786469.db2.gz RIZPDAILIJRVEE-UHFFFAOYSA-N 2 0 369.509 3.048 20 0 FGADRP C[NH+]1CCC(C[NH2+]Cc2ccc(C3CCCC3)cc2)(N2CCOCC2)CC1 ZINC000414477807 499797169 /nfs/dbraw/zinc/79/71/69/499797169.db2.gz CMLFNUAOQRYEDU-UHFFFAOYSA-N 2 0 371.569 3.230 20 0 FGADRP CSc1ccccc1OC[C@H](O)C[N@H+](CC[C@H]1CCC[NH+]1C)C(C)C ZINC000411986576 499809725 /nfs/dbraw/zinc/80/97/25/499809725.db2.gz PPIGSJUAHFCDLQ-QZTJIDSGSA-N 2 0 366.571 3.343 20 0 FGADRP CCC[C@H](Cc1ccccc1)[N@H+](CCC)C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414695499 499820923 /nfs/dbraw/zinc/82/09/23/499820923.db2.gz OXSFXUFVCQRLLH-NHCUHLMSSA-N 2 0 359.558 3.307 20 0 FGADRP [NH3+]CC(=O)N1CCC[C@H](C[N@H+](Cc2ccc(Cl)c(Cl)c2)C2CC2)C1 ZINC000414697513 499821247 /nfs/dbraw/zinc/82/12/47/499821247.db2.gz WRESJGFWVROHBS-AWEZNQCLSA-N 2 0 370.324 3.155 20 0 FGADRP CCC(CC)([NH2+]C[C@@H]1CCCN(C(=O)C[NH3+])C1)c1ccc(Cl)cc1 ZINC000414704804 499821499 /nfs/dbraw/zinc/82/14/99/499821499.db2.gz JRFFYEBTEVWCON-HNNXBMFYSA-N 2 0 351.922 3.142 20 0 FGADRP C[C@@H]1C[C@H](C[NH+]2CCN(C(=O)c3cccc(Cl)c3Cl)CC2)CC[NH2+]1 ZINC000414738478 499825040 /nfs/dbraw/zinc/82/50/40/499825040.db2.gz OZQZYJQLBVHSMA-ZIAGYGMSSA-N 2 0 370.324 3.139 20 0 FGADRP C[C@@H]1C[C@@H](C[N@@H+]2CCO[C@H](c3ccc(Br)cc3)C2)CC[NH2+]1 ZINC000414747870 499826191 /nfs/dbraw/zinc/82/61/91/499826191.db2.gz NIFYZVBFJKASFH-KEYYUXOJSA-N 2 0 353.304 3.211 20 0 FGADRP COc1cc(Br)ccc1C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000414774660 499829593 /nfs/dbraw/zinc/82/95/93/499829593.db2.gz FREQCBNUISEODW-KBPBESRZSA-N 2 0 353.304 3.279 20 0 FGADRP CC[NH+](CC)CCOc1ccccc1NC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000414789884 499831283 /nfs/dbraw/zinc/83/12/83/499831283.db2.gz OZFGJYWXVJHOBU-JWTNVVGKSA-N 2 0 374.529 3.154 20 0 FGADRP Cc1nn(-c2ccc(Br)cc2)c(C)c1CNC1CC[NH2+]CC1 ZINC000414791385 499831565 /nfs/dbraw/zinc/83/15/65/499831565.db2.gz QJJMBZOPXQRKNT-UHFFFAOYSA-N 2 0 363.303 3.093 20 0 FGADRP FC(F)(F)c1ccn(-c2ccc(C[NH2+]CC[C@@H]3CCC[NH2+]C3)cc2)n1 ZINC000414833027 499835474 /nfs/dbraw/zinc/83/54/74/499835474.db2.gz FXJQZNLIVYMENV-AWEZNQCLSA-N 2 0 352.404 3.370 20 0 FGADRP Fc1cccc(Cl)c1CN1CCC([NH2+]CC[C@H]2CCC[NH2+]C2)CC1 ZINC000414847697 499837367 /nfs/dbraw/zinc/83/73/67/499837367.db2.gz WFQYAPJQBNJGDN-OAHLLOKOSA-N 2 0 353.913 3.423 20 0 FGADRP CCOc1cc(C[NH2+][C@@H](C)[C@@H]2CCC[NH2+]C2)cc(Br)c1OC ZINC000414857632 499838491 /nfs/dbraw/zinc/83/84/91/499838491.db2.gz PWEJDGDCRUILRU-GXTWGEPZSA-N 2 0 371.319 3.334 20 0 FGADRP C[C@@H]1C[C@H]([NH2+]C2CCN(Cc3ccccc3Br)CC2)CC[NH2+]1 ZINC000414940939 499847070 /nfs/dbraw/zinc/84/70/70/499847070.db2.gz BZYWEZCPDVCIHQ-RHSMWYFYSA-N 2 0 366.347 3.144 20 0 FGADRP [NH3+]CC[C@H]1CCCN(C(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)C1 ZINC000414962998 499849328 /nfs/dbraw/zinc/84/93/28/499849328.db2.gz KJSATCLFNKHPQD-LJQANCHMSA-N 2 0 358.530 3.308 20 0 FGADRP O=C(Nc1ccc(CC[NH+]2CCCCC2)cc1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000414978582 499851049 /nfs/dbraw/zinc/85/10/49/499851049.db2.gz RYQDHZAKZYNKPB-BGYRXZFFSA-N 2 0 356.514 3.073 20 0 FGADRP Fc1ccc([C@@H]2CC[NH2+]C[C@@H]2C[NH2+]C2CCN(c3nccs3)CC2)cc1 ZINC000414994901 499852924 /nfs/dbraw/zinc/85/29/24/499852924.db2.gz DZVPWEPSRHJJSB-APWZRJJASA-N 2 0 374.529 3.234 20 0 FGADRP COc1ccc(C[NH2+]C[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)cc1OC ZINC000415011947 499854944 /nfs/dbraw/zinc/85/49/44/499854944.db2.gz WPVVNMHXIDYZKS-PKOBYXMFSA-N 2 0 358.457 3.326 20 0 FGADRP COc1ccc(C[NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)c(Br)c1O ZINC000415025032 499855796 /nfs/dbraw/zinc/85/57/96/499855796.db2.gz OXHIQCHELXJILA-HAQNSBGRSA-N 2 0 357.292 3.018 20 0 FGADRP CC[C@H](CCc1ccc(Br)cc1)[NH2+]C[C@H]1C[NH2+]CCCO1 ZINC000415045223 499857503 /nfs/dbraw/zinc/85/75/03/499857503.db2.gz TUFGICIIDWYIBK-IAGOWNOFSA-N 2 0 355.320 3.128 20 0 FGADRP COc1c(Cl)cc(Cl)cc1C[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000415046069 499857904 /nfs/dbraw/zinc/85/79/04/499857904.db2.gz CJWHXIRABVPYCB-UHFFFAOYSA-N 2 0 372.340 3.308 20 0 FGADRP Cc1ccc(C[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)c(Br)c1 ZINC000415052839 499858645 /nfs/dbraw/zinc/85/86/45/499858645.db2.gz LSPXQMFKAYAUJD-UHFFFAOYSA-N 2 0 366.347 3.064 20 0 FGADRP CC[C@H](C(=O)N1CCC([NH2+]C[C@@H]2CC[NH2+][C@H](C)C2)CC1)c1ccccc1 ZINC000415095964 499863031 /nfs/dbraw/zinc/86/30/31/499863031.db2.gz ACGOZYDMBGKNMV-OPYAIIAOSA-N 2 0 357.542 3.149 20 0 FGADRP C[C@@]1(C[NH2+]C2CCN(Cc3cccc(C(F)(F)F)c3)CC2)CC[NH2+]C1 ZINC000415099640 499863241 /nfs/dbraw/zinc/86/32/41/499863241.db2.gz GTPJKVGDLJRUIG-GOSISDBHSA-N 2 0 355.448 3.259 20 0 FGADRP CCN1CC[C@H]([NH2+]C[C@@H]2CC[NH2+][C@@H](C)C2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000415108795 499864576 /nfs/dbraw/zinc/86/45/76/499864576.db2.gz PCELSUKWCQECBV-UJMSNXRHSA-N 2 0 355.448 3.217 20 0 FGADRP C[C@H]1CC[N@H+](Cc2cn(-c3ccccc3)nc2-c2ccncc2)C[C@@H]1C[NH3+] ZINC000415119982 499866197 /nfs/dbraw/zinc/86/61/97/499866197.db2.gz FPLXGKSFKOCFFO-HKUYNNGSSA-N 2 0 361.493 3.351 20 0 FGADRP [NH3+][C@@H]1CCO[C@@H](C2CC[NH+](Cc3cccc(OCC(F)(F)F)c3)CC2)C1 ZINC000415129595 499867815 /nfs/dbraw/zinc/86/78/15/499867815.db2.gz VGLRFTMPMUKUPZ-SJLPKXTDSA-N 2 0 372.431 3.346 20 0 FGADRP COc1ccc(C(=O)Nc2cccc(C[N@@H+]3CC[C@@H](C)[C@H](C[NH3+])C3)c2)cc1 ZINC000415134174 499868791 /nfs/dbraw/zinc/86/87/91/499868791.db2.gz VRSASPOWHTVGED-VQIMIIECSA-N 2 0 367.493 3.364 20 0 FGADRP O=C(NCCC[C@@H]1CCC[NH2+]1)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000415306152 499885042 /nfs/dbraw/zinc/88/50/42/499885042.db2.gz HVIOAHIMKBHKFK-SFHVURJKSA-N 2 0 374.529 3.205 20 0 FGADRP CC(C)(C)[C@H](C[NH3+])NC(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000415312826 499885567 /nfs/dbraw/zinc/88/55/67/499885567.db2.gz UGFKQQQZBGMYNJ-SFHVURJKSA-N 2 0 362.518 3.046 20 0 FGADRP CC1CC[NH+](CCc2cccc(NC(=O)N3CC[C@H]4C[NH2+]C[C@H]4C3)c2)CC1 ZINC000415386870 499890655 /nfs/dbraw/zinc/89/06/55/499890655.db2.gz GQOAZSMDLFSNOA-PMACEKPBSA-N 2 0 370.541 3.034 20 0 FGADRP CC1CC[NH+](CCc2cccc(NC(=O)NCC[C@H]3CCC[NH2+]C3)c2)CC1 ZINC000415394789 499891207 /nfs/dbraw/zinc/89/12/07/499891207.db2.gz QWJRELZXRSLINW-HXUWFJFHSA-N 2 0 372.557 3.472 20 0 FGADRP C[C@@H](C(=O)Nc1ccccc1CN1C[C@@H](C)O[C@@H](C)C1)[NH+]1[C@H](C)CC[C@H]1C ZINC000413175219 499922790 /nfs/dbraw/zinc/92/27/90/499922790.db2.gz JOCZQSTXEQDQBN-QQXKLLMISA-N 2 0 373.541 3.496 20 0 FGADRP O=C(Nc1ccc2c(c1)C[NH2+]CC2)N1CC[NH+](CC2CCCCC2)CC1 ZINC000415880528 499923886 /nfs/dbraw/zinc/92/38/86/499923886.db2.gz GCUFYTBGLBMULW-UHFFFAOYSA-N 2 0 356.514 3.062 20 0 FGADRP C[NH2+]Cc1cccc(NC(=O)NCC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000415924990 499929227 /nfs/dbraw/zinc/92/92/27/499929227.db2.gz ZKILGXTWEHVMCU-UHFFFAOYSA-N 2 0 366.509 3.440 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)Nc1cccc(C[NH2+]C)c1)Cc1ccccc1 ZINC000415928054 499929372 /nfs/dbraw/zinc/92/93/72/499929372.db2.gz GPYODCFOWWGNFZ-NRFANRHFSA-N 2 0 368.525 3.481 20 0 FGADRP CC[NH2+]Cc1cccc(NC(=O)NC[C@H](c2cccc(OC)c2)[NH+](C)C)c1 ZINC000415928844 499929636 /nfs/dbraw/zinc/92/96/36/499929636.db2.gz GDKBTNQWKQCGKK-HXUWFJFHSA-N 2 0 370.497 3.229 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)Nc1ccc2c(c1)C[NH2+]CCO2)CC(C)C ZINC000415967038 499935016 /nfs/dbraw/zinc/93/50/16/499935016.db2.gz CWGREYCRQZTARG-GOSISDBHSA-N 2 0 362.518 3.047 20 0 FGADRP C[C@@H](CNC(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1)C[NH+]1CCCCC1 ZINC000415973518 499935943 /nfs/dbraw/zinc/93/59/43/499935943.db2.gz QQADVAYROVXOHN-ZDUSSCGKSA-N 2 0 372.435 3.408 20 0 FGADRP CCCC[N@H+](C)C[C@H](C)NC(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000415979096 499936583 /nfs/dbraw/zinc/93/65/83/499936583.db2.gz ZFJORRUICDOEFX-LBPRGKRZSA-N 2 0 360.424 3.406 20 0 FGADRP C[NH2+]Cc1ccc(NC(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000415981474 499937189 /nfs/dbraw/zinc/93/71/89/499937189.db2.gz JIQGKEBPTSVXIM-FQEVSTJZSA-N 2 0 352.482 3.144 20 0 FGADRP C[NH2+]Cc1ccc(NC(=O)N[C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000415984105 499937457 /nfs/dbraw/zinc/93/74/57/499937457.db2.gz OPUQBKZVZIPQPN-XLIONFOSSA-N 2 0 366.509 3.438 20 0 FGADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)C1 ZINC000428957124 499968225 /nfs/dbraw/zinc/96/82/25/499968225.db2.gz ZVUZTYTZIHPETR-ZIFCJYIRSA-N 2 0 360.546 3.097 20 0 FGADRP C[NH+](C)CCN(Cc1ccsc1)C(=O)C[C@@H](c1ccccc1)[NH+](C)C ZINC000416252914 499995698 /nfs/dbraw/zinc/99/56/98/499995698.db2.gz PWNDAHIRCNSQMS-IBGZPJMESA-N 2 0 359.539 3.331 20 0 FGADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)Nc1nc2c(s1)C[N@@H+](C(C)(C)C)CC2 ZINC000425033479 500000645 /nfs/dbraw/zinc/00/06/45/500000645.db2.gz DYEVDZURJZCQAA-LBPRGKRZSA-N 2 0 352.548 3.405 20 0 FGADRP C[N@H+](Cc1ccccc1CNC(=O)N[C@H]1CC[C@@H](C[NH3+])C1)C1CCCCC1 ZINC000417229878 500011752 /nfs/dbraw/zinc/01/17/52/500011752.db2.gz YCUKOZGROBSOKC-XLIONFOSSA-N 2 0 372.557 3.378 20 0 FGADRP CN(C(=O)c1ccc(Nc2cc[nH+]cc2)cc1)C(C)(C)C[NH+]1CCCC1 ZINC000416333234 500017958 /nfs/dbraw/zinc/01/79/58/500017958.db2.gz KKNJBXYVXVDYPW-UHFFFAOYSA-N 2 0 352.482 3.194 20 0 FGADRP [NH3+]C[C@H](NC(=O)NCC1CC[NH+](Cc2ccccc2)CC1)C1CCCCC1 ZINC000417291246 500030169 /nfs/dbraw/zinc/03/01/69/500030169.db2.gz DWWSHZKQGPHLTI-NRFANRHFSA-N 2 0 372.557 3.105 20 0 FGADRP CC[NH+]1CCC(N2CCC[N@H+](Cc3ccc(SC)s3)CC2)CC1 ZINC000421369835 500030226 /nfs/dbraw/zinc/03/02/26/500030226.db2.gz HZAIXRFJIUUESY-UHFFFAOYSA-N 2 0 353.601 3.462 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)NC(C)(C)C[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000417298292 500033304 /nfs/dbraw/zinc/03/33/04/500033304.db2.gz PSOXVDZNSYSEOO-HNNXBMFYSA-N 2 0 374.451 3.125 20 0 FGADRP CCc1ccccc1[C@@H]([NH3+])CNC(=O)NC[C@H](c1ccco1)[NH+](CC)CC ZINC000417310166 500036333 /nfs/dbraw/zinc/03/63/33/500036333.db2.gz JOIGKBROYMNFJI-RBUKOAKNSA-N 2 0 372.513 3.224 20 0 FGADRP C[C@@H]([NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1)[C@@H]1C[C@H]1c1cccs1 ZINC000417344124 500045506 /nfs/dbraw/zinc/04/55/06/500045506.db2.gz RSCZPZMEZQCFGV-YZGWKJHDSA-N 2 0 370.566 3.437 20 0 FGADRP CCCN(C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1)[C@H]1CC[NH2+]C1 ZINC000417355149 500047684 /nfs/dbraw/zinc/04/76/84/500047684.db2.gz FLLRCSBJLDPFNH-NRFANRHFSA-N 2 0 372.557 3.346 20 0 FGADRP COc1cc2[nH+]ccc(NCC3=CC[N@H+](C)CC3)c2cc1Br ZINC000425243808 500054462 /nfs/dbraw/zinc/05/44/62/500054462.db2.gz GITVNQFNWXOPTQ-UHFFFAOYSA-N 2 0 362.271 3.102 20 0 FGADRP C[C@@H]([NH2+]CC(C)(C)C1(O)CCOCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000417388851 500057827 /nfs/dbraw/zinc/05/78/27/500057827.db2.gz WNAVUCKDDXZRJZ-UYAOXDASSA-N 2 0 360.542 3.054 20 0 FGADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)NCc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000417472537 500083324 /nfs/dbraw/zinc/08/33/24/500083324.db2.gz XBQWPDGFUBMGIY-OAQYLSRUSA-N 2 0 374.573 3.433 20 0 FGADRP C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)NCc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000417472032 500083757 /nfs/dbraw/zinc/08/37/57/500083757.db2.gz WECFFCLVTUXFNC-NQIIRXRSSA-N 2 0 372.557 3.330 20 0 FGADRP CS[C@@H]1CC[C@@H]1[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000425375431 500089375 /nfs/dbraw/zinc/08/93/75/500089375.db2.gz ZOLVMHPCFYPRME-SLFFLAALSA-N 2 0 360.567 3.399 20 0 FGADRP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1[NH2+]C[C@@H](O)Cc1ccccc1 ZINC000425432582 500105205 /nfs/dbraw/zinc/10/52/05/500105205.db2.gz KZKULHUHFXWAGW-IPJJNNNSSA-N 2 0 352.522 3.336 20 0 FGADRP C[C@@H]1CC[C@@H]([N@H+](C)CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)C1 ZINC000429585815 500108847 /nfs/dbraw/zinc/10/88/47/500108847.db2.gz UGWHXUFBPAPFMG-VQIMIIECSA-N 2 0 361.555 3.294 20 0 FGADRP C[NH+](C)[C@H](CNC(=O)N[C@H](CCC[NH3+])c1ccccc1)c1ccccc1 ZINC000416808920 500126273 /nfs/dbraw/zinc/12/62/73/500126273.db2.gz PGELXDPLCUDFNL-WOJBJXKFSA-N 2 0 354.498 3.069 20 0 FGADRP O=C(NCCC[NH2+]C1CC1)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000417622706 500127438 /nfs/dbraw/zinc/12/74/38/500127438.db2.gz MLHAHIJEKJNSMW-UHFFFAOYSA-N 2 0 358.530 3.004 20 0 FGADRP CC[NH+](CC)Cc1ccc(CNC(=O)NC[C@H]([NH3+])c2ccccc2)cc1 ZINC000416884731 500147195 /nfs/dbraw/zinc/14/71/95/500147195.db2.gz LELBSSTXUJBNIY-FQEVSTJZSA-N 2 0 354.498 3.028 20 0 FGADRP CC[NH+](CC)Cc1ccc(CNC(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000416893880 500149493 /nfs/dbraw/zinc/14/94/93/500149493.db2.gz XYJJAVRHDKGEEE-OAQYLSRUSA-N 2 0 372.557 3.060 20 0 FGADRP CC[NH+](CC)Cc1ccc(CNC(=O)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000416894192 500149556 /nfs/dbraw/zinc/14/95/56/500149556.db2.gz YLJAIEIUGLTBIP-SFTDATJTSA-N 2 0 372.557 3.060 20 0 FGADRP C[NH2+]C[C@@H]1CCCN(C(=O)NCC2([NH2+][C@H](C)c3ccccc3)CCCC2)C1 ZINC000417696146 500151353 /nfs/dbraw/zinc/15/13/53/500151353.db2.gz BYPNYVBIHQINQT-MOPGFXCFSA-N 2 0 372.557 3.291 20 0 FGADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)NC[C@H]([NH3+])c1ccccc1)c1ccccc1 ZINC000417698495 500151933 /nfs/dbraw/zinc/15/19/33/500151933.db2.gz GIVUOCJUFXPGCF-APWZRJJASA-N 2 0 354.498 3.115 20 0 FGADRP C[C@@H]([NH2+]C1(CNC(=O)N(C2CC2)[C@H]2CC[NH2+]C2)CCCC1)c1ccccc1 ZINC000417704148 500152482 /nfs/dbraw/zinc/15/24/82/500152482.db2.gz LVWWDOITOZIDDH-XLIONFOSSA-N 2 0 370.541 3.186 20 0 FGADRP COc1ccc([C@H]([NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)C(C)C)c(F)c1 ZINC000421830465 500160981 /nfs/dbraw/zinc/16/09/81/500160981.db2.gz JYAOGLKBHSIRAD-OXQOHEQNSA-N 2 0 352.494 3.358 20 0 FGADRP COc1ccc([C@H]([NH2+]Cc2ccnc(OCC[NH+](C)C)c2)C2CC2)c(F)c1 ZINC000421829632 500161388 /nfs/dbraw/zinc/16/13/88/500161388.db2.gz ADUAIAVYUDAKDV-OAQYLSRUSA-N 2 0 373.472 3.411 20 0 FGADRP C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)NC[C@@H]3CCC[C@H]([NH3+])C3)cc2)C1 ZINC000416966137 500168205 /nfs/dbraw/zinc/16/82/05/500168205.db2.gz FADVJWZJWPCYRJ-UIFIKXQLSA-N 2 0 372.557 3.235 20 0 FGADRP C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)N3CCC[C@@H](CC[NH3+])C3)cc2)C1 ZINC000416966704 500168688 /nfs/dbraw/zinc/16/86/88/500168688.db2.gz FXWDTMNHZZHKOV-QUCCMNQESA-N 2 0 372.557 3.189 20 0 FGADRP C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)NCc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)C1 ZINC000416971861 500170929 /nfs/dbraw/zinc/17/09/29/500170929.db2.gz QKTTVEYQPVLOFT-DBXWQHBBSA-N 2 0 372.557 3.187 20 0 FGADRP CC1=CCC[C@H](C)[C@@H]1C[NH+]1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000573366253 506180460 /nfs/dbraw/zinc/18/04/60/506180460.db2.gz KHDUTKONBNUACG-PZJWPPBQSA-N 2 0 361.574 3.293 20 0 FGADRP C[NH2+]C[C@@H]1CCCN(C(=O)NCc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)C1 ZINC000416977564 500173171 /nfs/dbraw/zinc/17/31/71/500173171.db2.gz QDBINEZWTRWUEE-RXVVDRJESA-N 2 0 372.557 3.202 20 0 FGADRP CCCN(C(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1)[C@@H]1CC[NH2+]C1 ZINC000416978469 500173520 /nfs/dbraw/zinc/17/35/20/500173520.db2.gz RJOJTPFYLAGRET-OAQYLSRUSA-N 2 0 372.557 3.202 20 0 FGADRP C[C@H]([NH3+])[C@H]1CCCN(C(=O)NCc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)C1 ZINC000416979442 500174105 /nfs/dbraw/zinc/17/41/05/500174105.db2.gz SKVNALGZVHXJEC-LQWHRVPQSA-N 2 0 372.557 3.330 20 0 FGADRP C[C@@H]1[C@H](NC(=O)Nc2ccccc2-c2ncc3n2CCCC3)CCC[N@@H+]1C ZINC000425669307 500176088 /nfs/dbraw/zinc/17/60/88/500176088.db2.gz CKJHUNDPYGSTCH-CRAIPNDOSA-N 2 0 367.497 3.491 20 0 FGADRP C[C@@H]([NH3+])[C@@H]1CCN(C(=O)NCc2ccc(C[N@H+]3C[C@H](C)C[C@H](C)C3)cc2)C1 ZINC000416991730 500177951 /nfs/dbraw/zinc/17/79/51/500177951.db2.gz OSUDQKOPERDKEE-BMQTXXJKSA-N 2 0 372.557 3.043 20 0 FGADRP C[C@H]1C[C@@H](C[NH3+])CN1C(=O)NCc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000416997868 500179753 /nfs/dbraw/zinc/17/97/53/500179753.db2.gz WIIARWGKWOFUIJ-NYUBLWNDSA-N 2 0 372.557 3.043 20 0 FGADRP CCCN(C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)C1CC[NH2+]CC1 ZINC000417833821 500180702 /nfs/dbraw/zinc/18/07/02/500180702.db2.gz UWGMTOLRNMWWAW-GHTZIAJQSA-N 2 0 372.557 3.071 20 0 FGADRP CCCC[N@H+](CC)Cc1cccc(CNC(=O)N2CC[C@H](C)[C@@H](C[NH3+])C2)c1 ZINC000417868813 500188321 /nfs/dbraw/zinc/18/83/21/500188321.db2.gz DBLJXIYOLNQZIK-RXVVDRJESA-N 2 0 374.573 3.435 20 0 FGADRP CCCC[N@H+](CC)Cc1cccc(CNC(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)c1 ZINC000417878086 500189894 /nfs/dbraw/zinc/18/98/94/500189894.db2.gz OQJNGSVLMKGIHT-LEWJYISDSA-N 2 0 372.557 3.202 20 0 FGADRP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)NCC1([NH3+])CCCCC1 ZINC000417896622 500193985 /nfs/dbraw/zinc/19/39/85/500193985.db2.gz PTSIKSKCJOIMTE-QZTJIDSGSA-N 2 0 372.557 3.104 20 0 FGADRP C[C@@H]1C[C@H](CCNC(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])C[N@@H+]1Cc1ccccc1 ZINC000417918582 500197748 /nfs/dbraw/zinc/19/77/48/500197748.db2.gz FOOQEFHSUVJQSG-GFOJFJKKSA-N 2 0 372.557 3.104 20 0 FGADRP CC1CC[NH+](CCc2cccc(NC(=O)N[C@@H]3CC[NH2+]C3(C)C)c2)CC1 ZINC000570498770 506181902 /nfs/dbraw/zinc/18/19/02/506181902.db2.gz ATKHYWVEJDKWLV-LJQANCHMSA-N 2 0 358.530 3.223 20 0 FGADRP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)NC[C@@]1(C)CCC[NH+]1Cc1ccccc1 ZINC000430217714 500210380 /nfs/dbraw/zinc/21/03/80/500210380.db2.gz LGYFTEVWYTUJIX-IFMALSPDSA-N 2 0 372.557 3.024 20 0 FGADRP C[C@@H](CCCC[NH3+])NC(=O)NCc1ccccc1C[NH+]1CCC(C)CC1 ZINC000418065773 500225115 /nfs/dbraw/zinc/22/51/15/500225115.db2.gz MDUUTPYBQAPJCA-SFHVURJKSA-N 2 0 360.546 3.235 20 0 FGADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H](Cc1cccnc1)c1cccc(Cl)c1 ZINC000426012387 500225383 /nfs/dbraw/zinc/22/53/83/500225383.db2.gz DOXCBYRZLVAOEV-DYESRHJHSA-N 2 0 372.944 3.244 20 0 FGADRP C[C@H](NC(=O)C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1)c1ccc2c(c1)CCCC2 ZINC000579474347 506183589 /nfs/dbraw/zinc/18/35/89/506183589.db2.gz UCSAKPISOYEECP-JTSKRJEESA-N 2 0 369.553 3.064 20 0 FGADRP CC[NH+]1CCC(N2CCCN(C(=O)N[C@@H](C)C3CCCCC3)CC2)CC1 ZINC000422224511 500237131 /nfs/dbraw/zinc/23/71/31/500237131.db2.gz FGBZVELQPSGBTM-SFHVURJKSA-N 2 0 364.578 3.157 20 0 FGADRP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)C1 ZINC000418156839 500238598 /nfs/dbraw/zinc/23/85/98/500238598.db2.gz NPJYOHPLXKPHEN-SXLOBPIMSA-N 2 0 372.557 3.056 20 0 FGADRP CCc1ccccc1[C@H]([NH3+])CNC(=O)N[C@@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC000418162755 500239937 /nfs/dbraw/zinc/23/99/37/500239937.db2.gz CXIYGEUYOFHXDC-DQLDELGASA-N 2 0 368.525 3.239 20 0 FGADRP C[C@@H]1CCN(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)[C@@H](C[NH3+])C1 ZINC000418164489 500240530 /nfs/dbraw/zinc/24/05/30/500240530.db2.gz WYVVDSXGJOPBNS-RLLQIKCJSA-N 2 0 372.557 3.056 20 0 FGADRP CCCC[N@H+](C)CC1CCN(C(=O)NC2CCC([NH+](C)C)CC2)CC1 ZINC000422247998 500241274 /nfs/dbraw/zinc/24/12/74/500241274.db2.gz YRXLYUGRMMIFOF-UHFFFAOYSA-N 2 0 352.567 3.013 20 0 FGADRP CC[NH2+]CC1CCN(C(=O)NCC[NH+]2CCC3(CCCCC3)CC2)CC1 ZINC000418171390 500241844 /nfs/dbraw/zinc/24/18/44/500241844.db2.gz OCLQSYYSDFSEEK-UHFFFAOYSA-N 2 0 364.578 3.064 20 0 FGADRP CCC[N@H+](C)[C@H](CNC(=O)N1CC[C@H]([NH3+])[C@@H](C)C1)c1ccc(Cl)cc1 ZINC000418192425 500246890 /nfs/dbraw/zinc/24/68/90/500246890.db2.gz YRBXTEAUXYKWML-JCGIZDLHSA-N 2 0 366.937 3.102 20 0 FGADRP O=C(NCCC[C@@H]1CCC[NH2+]1)NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000418246034 500255258 /nfs/dbraw/zinc/25/52/58/500255258.db2.gz SVJYAZXJPZGMID-RTWAWAEBSA-N 2 0 372.557 3.120 20 0 FGADRP CC[NH+](CC)CCOc1ccccc1NC(=O)[C@@H]1C[NH2+]Cc2ccccc21 ZINC000579477864 506185416 /nfs/dbraw/zinc/18/54/16/506185416.db2.gz NBSIEOKZYQRVQX-LJQANCHMSA-N 2 0 367.493 3.233 20 0 FGADRP CC(C)c1ccc([C@H]([NH3+])CNC(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)cc1 ZINC000418321785 500261631 /nfs/dbraw/zinc/26/16/31/500261631.db2.gz CQOAGGMKEMQPHB-NHCUHLMSSA-N 2 0 372.557 3.183 20 0 FGADRP CC[N@H+](CCC1CCN(C(=O)NCC[C@H]2CCC[NH2+]C2)CC1)CC(C)C ZINC000418344777 500265426 /nfs/dbraw/zinc/26/54/26/500265426.db2.gz KWIPOAMDSJHBRT-HXUWFJFHSA-N 2 0 366.594 3.166 20 0 FGADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)NC[C@@H]([NH3+])c2ccc(C(C)C)cc2)C1 ZINC000418351994 500267100 /nfs/dbraw/zinc/26/71/00/500267100.db2.gz MBNMBNHGHBJAIF-FXAWDEMLSA-N 2 0 360.546 3.183 20 0 FGADRP C[C@@H]1C[C@H](N(C)C(=O)NCC[C@@H]2CCC[NH2+]C2)CC[N@@H+]1Cc1ccccc1 ZINC000418355400 500267700 /nfs/dbraw/zinc/26/77/00/500267700.db2.gz BKEMAOPBRKTFES-SVFBPWRDSA-N 2 0 372.557 3.071 20 0 FGADRP CC(C)c1ccc([C@@H]([NH3+])CNC(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)cc1 ZINC000418362035 500267934 /nfs/dbraw/zinc/26/79/34/500267934.db2.gz UVSHNKXEAPKYBX-UXHICEINSA-N 2 0 358.530 3.080 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)N[C@@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000418402042 500272657 /nfs/dbraw/zinc/27/26/57/500272657.db2.gz ARDHSHKQEZRIKS-YZGWKJHDSA-N 2 0 364.578 3.190 20 0 FGADRP CC[NH+](CC)CCN(Cc1cccs1)C(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000418439119 500276637 /nfs/dbraw/zinc/27/66/37/500276637.db2.gz XZHBBPWQPUMBOJ-SJLPKXTDSA-N 2 0 366.575 3.119 20 0 FGADRP CCCC[N@H+](C)CC1CCN(C(=O)NCc2ccc([C@@H](C)[NH3+])cc2)CC1 ZINC000418466764 500280656 /nfs/dbraw/zinc/28/06/56/500280656.db2.gz ROHVHCJCKXOZFD-QGZVFWFLSA-N 2 0 360.546 3.360 20 0 FGADRP C[C@@H]1C[C@H](C)[N@H+](CCC(=O)Nc2cccc(Br)c2)C[C@H]1C[NH3+] ZINC000422640705 500285309 /nfs/dbraw/zinc/28/53/09/500285309.db2.gz VVVPNGQWUXXJDM-HZSPNIEDSA-N 2 0 368.319 3.083 20 0 FGADRP CCCN(C(=O)N[C@@H](C[NH3+])c1ccc2ccccc2c1)C1CC[NH2+]CC1 ZINC000418503679 500285691 /nfs/dbraw/zinc/28/56/91/500285691.db2.gz ZEXHQMDTLWMRGV-FQEVSTJZSA-N 2 0 354.498 3.013 20 0 FGADRP C([NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)C1(N2CCSCC2)CCCCC1 ZINC000422711625 500288610 /nfs/dbraw/zinc/28/86/10/500288610.db2.gz MZVJFTQXRBFXDD-IPMKNSEASA-N 2 0 351.604 3.248 20 0 FGADRP COc1cccc(OC)c1Oc1ccc(C[NH2+]C2CCC(C[NH3+])CC2)cn1 ZINC000422724086 500290182 /nfs/dbraw/zinc/29/01/82/500290182.db2.gz UJHBMJHSAWSCAZ-UHFFFAOYSA-N 2 0 371.481 3.498 20 0 FGADRP [NH3+]CC1CCC([NH2+][C@H]2CCN(c3cccc(OC(F)(F)F)c3)C2)CC1 ZINC000422727339 500290993 /nfs/dbraw/zinc/29/09/93/500290993.db2.gz HFIYIKZNPTWIIN-NRXISQOPSA-N 2 0 357.420 3.271 20 0 FGADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+][C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1 ZINC000422731695 500291233 /nfs/dbraw/zinc/29/12/33/500291233.db2.gz OAMDKFDRYGZYTF-KEYYUXOJSA-N 2 0 357.420 3.142 20 0 FGADRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000422734021 500291241 /nfs/dbraw/zinc/29/12/41/500291241.db2.gz BZALKJQPVDROFO-RXVVDRJESA-N 3 0 359.558 3.044 20 0 FGADRP CCOC(=O)C1([C@H](C)[NH2+]CCc2ccc(Cl)cc2Cl)CC[NH2+]CC1 ZINC000422736753 500292662 /nfs/dbraw/zinc/29/26/62/500292662.db2.gz WLZRCPRNMRYCOH-ZDUSSCGKSA-N 2 0 373.324 3.447 20 0 FGADRP C[C@H](NC[C@@H]1CCC[N@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1)C1C[NH2+]C1 ZINC000422757740 500294475 /nfs/dbraw/zinc/29/44/75/500294475.db2.gz IXBDFHKFTYBYRB-YEWWUXTCSA-N 2 0 355.448 3.286 20 0 FGADRP COc1ccccc1[C@H](CNC(=O)[C@@H]1CCCCCC[C@H]1[NH3+])[NH+]1CCCC1 ZINC000430841008 500294857 /nfs/dbraw/zinc/29/48/57/500294857.db2.gz ZMYQTNYUIULAKD-RLLQIKCJSA-N 2 0 373.541 3.246 20 0 FGADRP COc1ccc(CC[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c(OC)c1 ZINC000422788566 500297417 /nfs/dbraw/zinc/29/74/17/500297417.db2.gz VOANJRLGEYGTQM-KNQAVFIVSA-N 2 0 368.477 3.092 20 0 FGADRP Fc1ccc(N2CCOCC2)c(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)c1 ZINC000422789527 500298289 /nfs/dbraw/zinc/29/82/89/500298289.db2.gz UACDBWNQHCMSAR-HSALFYBXSA-N 2 0 361.505 3.063 20 0 FGADRP CCOC(=O)C1([C@@H](C)[NH2+]Cc2ccc3cc(OC)ccc3c2)CC[NH2+]CC1 ZINC000422798984 500298949 /nfs/dbraw/zinc/29/89/49/500298949.db2.gz UNGNVIPCTVIJBD-MRXNPFEDSA-N 2 0 370.493 3.259 20 0 FGADRP c1ccc2c(c1)CCN2CCC[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422812332 500301401 /nfs/dbraw/zinc/30/14/01/500301401.db2.gz XLMLBYNMBVGGRT-NFBKMPQASA-N 2 0 363.505 3.285 20 0 FGADRP c1cn(Cc2ccccc2)c(CC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)n1 ZINC000422816661 500301671 /nfs/dbraw/zinc/30/16/71/500301671.db2.gz FQFYNOXHSGPYIE-QHAWAJNXSA-N 2 0 352.526 3.374 20 0 FGADRP COC[C@H](Cc1ccccc1)[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422819688 500301756 /nfs/dbraw/zinc/30/17/56/500301756.db2.gz IUKADVDACLUIGH-VCOUNFBDSA-N 2 0 352.478 3.090 20 0 FGADRP FC(F)(F)COCc1ccc(C[NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000422825918 500302506 /nfs/dbraw/zinc/30/25/06/500302506.db2.gz QEINWKLLNXYDHA-FGTMMUONSA-N 2 0 372.431 3.012 20 0 FGADRP CCN(CC)[C@@H](C[NH2+][C@H](C)c1ccc(C[NH3+])nc1C)Cc1ccccc1 ZINC000422831565 500303432 /nfs/dbraw/zinc/30/34/32/500303432.db2.gz JZCXYFCKVAWJNF-DYESRHJHSA-N 2 0 354.542 3.452 20 0 FGADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]CCOc1c(Cl)cc(Cl)cc1Cl ZINC000422833424 500303544 /nfs/dbraw/zinc/30/35/44/500303544.db2.gz GVFYGRRCLAAKAA-NURSFMCSSA-N 2 0 367.704 3.368 20 0 FGADRP CC(C)(CC[NH+]1CCCCCC1)NC(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000418669339 500304655 /nfs/dbraw/zinc/30/46/55/500304655.db2.gz PHGZLLVXWVLTFG-IYARVYRRSA-N 2 0 352.567 3.095 20 0 FGADRP O=C([C@@H]1CCC[N@@H+]1C1CC1)N1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000426672628 500305058 /nfs/dbraw/zinc/30/50/58/500305058.db2.gz SBIROOONAGJOGC-JTHBVZDNSA-N 2 0 367.537 3.128 20 0 FGADRP CCOC(=O)C1([C@@H](C)[NH2+][C@H]2CCSc3c(F)cccc32)CC[NH2+]CC1 ZINC000422847084 500305287 /nfs/dbraw/zinc/30/52/87/500305287.db2.gz QZYARHXGNYIEQZ-CJNGLKHVSA-N 2 0 366.502 3.274 20 0 FGADRP C[C@H](C[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)N(C)c1ccccc1 ZINC000422863458 500307104 /nfs/dbraw/zinc/30/71/04/500307104.db2.gz PBLQEVWKMARJDF-ZNLUXHQJSA-N 2 0 351.494 3.357 20 0 FGADRP COCCCOc1cc(C)ccc1C[NH2+][C@@H](C)c1ccc(C[NH3+])nc1C ZINC000422864266 500307335 /nfs/dbraw/zinc/30/73/35/500307335.db2.gz MTRNNQJPECTECO-INIZCTEOSA-N 2 0 357.498 3.423 20 0 FGADRP O=C(CCc1ccccc1)N1CC[C@H]([NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)C1 ZINC000422869540 500308249 /nfs/dbraw/zinc/30/82/49/500308249.db2.gz ANLYJOFTQVXYTQ-FNAHDJPLSA-N 2 0 369.553 3.121 20 0 FGADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]Cc1ccc(N2CCC(C)CC2)nc1 ZINC000422887592 500310933 /nfs/dbraw/zinc/31/09/33/500310933.db2.gz BKCOUFCWACOIOQ-MRXNPFEDSA-N 2 0 353.514 3.331 20 0 FGADRP COc1ccc(C2(C[NH2+][C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)CCOCC2)cc1 ZINC000422897133 500312903 /nfs/dbraw/zinc/31/29/03/500312903.db2.gz JCQLLYGVOQQLRM-PCCBWWKXSA-N 2 0 358.526 3.254 20 0 FGADRP O[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)COc1cccc(Cl)c1Cl ZINC000422898228 500313138 /nfs/dbraw/zinc/31/31/38/500313138.db2.gz DSWBKWMJTKVGBC-BFJAYTPKSA-N 2 0 373.324 3.243 20 0 FGADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000422899856 500313168 /nfs/dbraw/zinc/31/31/68/500313168.db2.gz PILJAQRVMPXMCS-VKJFTORMSA-N 2 0 366.347 3.383 20 0 FGADRP C[C@@H]1C[N@H+](CCC(=O)Nc2ccc(Oc3ccccc3)cc2)CC[C@@H]1[NH3+] ZINC000430961164 500313844 /nfs/dbraw/zinc/31/38/44/500313844.db2.gz MTCUBIRLQAPCOE-UZLBHIALSA-N 2 0 353.466 3.477 20 0 FGADRP CC[N@H+](CCC1CCN(C(=O)NC[C@@H]2CCC[C@@H]([NH3+])C2)CC1)CC(C)C ZINC000418735021 500315138 /nfs/dbraw/zinc/31/51/38/500315138.db2.gz VXNHJFNKGCFUCA-WOJBJXKFSA-N 2 0 366.594 3.294 20 0 FGADRP Clc1cc(CC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)cc2c1OCCO2 ZINC000422928422 500318282 /nfs/dbraw/zinc/31/82/82/500318282.db2.gz KMIOYUCCVXRUOU-USXIJHARSA-N 2 0 350.890 3.164 20 0 FGADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCc1cc(Cl)c2c(c1)OCCO2 ZINC000422931358 500319288 /nfs/dbraw/zinc/31/92/88/500319288.db2.gz XJKRMSYNZIOBPV-KSSFIOAISA-N 2 0 360.885 3.202 20 0 FGADRP CC[NH+](CC)CCCC1CCN(C(=O)NCCC[C@H]2CCC[NH2+]2)CC1 ZINC000418774393 500321446 /nfs/dbraw/zinc/32/14/46/500321446.db2.gz RHYLPMZYUFMCBQ-LJQANCHMSA-N 2 0 352.567 3.062 20 0 FGADRP CCOC(=O)C1([C@H](C)[NH2+]CCCc2ccc(Cl)cc2)CC[NH2+]CC1 ZINC000422949300 500321937 /nfs/dbraw/zinc/32/19/37/500321937.db2.gz UWSKRUHHFFCUDB-HNNXBMFYSA-N 2 0 352.906 3.184 20 0 FGADRP CCOC(=O)C1([C@H](C)[NH2+][C@H]2CCc3cc(Cl)ccc32)CC[NH2+]CC1 ZINC000422945468 500322033 /nfs/dbraw/zinc/32/20/33/500322033.db2.gz NDFRKZBDVRSEPU-GUYCJALGSA-N 2 0 350.890 3.238 20 0 FGADRP O=C1C[C@H]([NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)CN1c1ccccc1Cl ZINC000422960546 500324067 /nfs/dbraw/zinc/32/40/67/500324067.db2.gz WVLBCYXYSWHGNA-UOVPBQLFSA-N 2 0 361.917 3.346 20 0 FGADRP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@H](C[NH3+])c1ccccc1 ZINC000431018859 500324343 /nfs/dbraw/zinc/32/43/43/500324343.db2.gz JRKPMAMXBSMTOU-RBBKRZOGSA-N 2 0 365.521 3.100 20 0 FGADRP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCNc1cccc(Br)c1 ZINC000422965954 500324473 /nfs/dbraw/zinc/32/44/73/500324473.db2.gz QHYFRTYRICPCFS-RDTXWAMCSA-N 2 0 362.315 3.409 20 0 FGADRP OC[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)Cc1ccc(C(F)(F)F)cc1 ZINC000422994734 500328437 /nfs/dbraw/zinc/32/84/37/500328437.db2.gz VZPGVRHGNUOOOU-GDAAHCPNSA-N 2 0 370.459 3.367 20 0 FGADRP CCC1(C[NH2+][C@H](C)C[C@H]2COCCN2)CC[NH+](Cc2ccccc2)CC1 ZINC000423003519 500329904 /nfs/dbraw/zinc/32/99/04/500329904.db2.gz MOXQBZBWJNKISB-CTNGQTDRSA-N 2 0 359.558 3.035 20 0 FGADRP C[C@H]1C[NH+](CCOc2ccc(CC[NH2+]C3CCC(C[NH3+])CC3)cc2)C[C@@H]1C ZINC000423012274 500330654 /nfs/dbraw/zinc/33/06/54/500330654.db2.gz CRSQRVBLGXNPAB-CDNGDFIJSA-N 3 0 373.585 3.303 20 0 FGADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]C[C@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000423020889 500331424 /nfs/dbraw/zinc/33/14/24/500331424.db2.gz DBQBZETUPLDXNT-MDUILUSMSA-N 2 0 353.913 3.450 20 0 FGADRP COc1cc(Br)ccc1CCC[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000423035485 500333781 /nfs/dbraw/zinc/33/37/81/500333781.db2.gz RNAXUCCYECTSDZ-HOCLYGCPSA-N 2 0 355.320 3.497 20 0 FGADRP [NH3+][C@H]1C[C@@H]([NH2+]CCc2ccc(OCC(F)(F)F)nc2)c2ccccc21 ZINC000423046042 500335213 /nfs/dbraw/zinc/33/52/13/500335213.db2.gz CXTWSBGCLUPJDX-JKSUJKDBSA-N 2 0 351.372 3.300 20 0 FGADRP C[C@H](N[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000423051040 500335857 /nfs/dbraw/zinc/33/58/57/500335857.db2.gz ZOMYQKVSCIBFDZ-MYEKKWIISA-N 2 0 369.553 3.485 20 0 FGADRP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCc1ccc(OCC(F)(F)F)nc1 ZINC000423049363 500335875 /nfs/dbraw/zinc/33/58/75/500335875.db2.gz JSUUROQOHAPTGC-RHSMWYFYSA-N 2 0 367.415 3.113 20 0 FGADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C[C@H](C1CC1)N(C)Cc1ccccc1 ZINC000423060407 500336871 /nfs/dbraw/zinc/33/68/71/500336871.db2.gz IBHHNNMQIJHAAE-OPAMFIHVSA-N 2 0 352.526 3.410 20 0 FGADRP Cc1ccc(Br)cc1C[NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000423057102 500336978 /nfs/dbraw/zinc/33/69/78/500336978.db2.gz GXFJKWUGLNPKAL-IXDOHACOSA-N 2 0 353.304 3.004 20 0 FGADRP C[C@@H]([NH2+][C@H](Cc1ccccn1)c1ccc(Br)cc1)C1C[NH2+]C1 ZINC000423072901 500338613 /nfs/dbraw/zinc/33/86/13/500338613.db2.gz QLLSPFFKXBNHCA-FZKQIMNGSA-N 2 0 360.299 3.325 20 0 FGADRP COC(=O)c1csc(-c2cccc(C[NH2+][C@H]3CC[NH2+]CC[C@H]3C)c2)n1 ZINC000423072732 500338751 /nfs/dbraw/zinc/33/87/51/500338751.db2.gz JSAGGRIUAZWLCK-CJNGLKHVSA-N 2 0 359.495 3.074 20 0 FGADRP CCOC(=O)C1([C@H](C)[NH2+]Cc2cc(F)c(Cl)cc2F)CC[NH2+]CC1 ZINC000423088593 500340376 /nfs/dbraw/zinc/34/03/76/500340376.db2.gz SIGLLYPTXHMOFD-NSHDSACASA-N 2 0 360.832 3.029 20 0 FGADRP CCOC(=O)C1([C@H](C)[NH2+][C@@H]2CC[C@H](c3ccccc3F)C2)CC[NH2+]CC1 ZINC000423092219 500341132 /nfs/dbraw/zinc/34/11/32/500341132.db2.gz AYUGNSMKIRQBNZ-YESZJQIVSA-N 2 0 362.489 3.373 20 0 FGADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]Cc1cc(Cl)ccc1N1CCOCC1 ZINC000423102156 500342655 /nfs/dbraw/zinc/34/26/55/500342655.db2.gz OBSBXHCWXCYUGH-AWEZNQCLSA-N 2 0 374.916 3.190 20 0 FGADRP CC(C)c1nnc(CC[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)s1 ZINC000423123456 500345094 /nfs/dbraw/zinc/34/50/94/500345094.db2.gz DRVRTXRJNPLISH-BEFAXECRSA-N 2 0 358.511 3.050 20 0 FGADRP COc1ccc(CC[NH2+][C@H](C)c2ccc(C[NH3+])nc2C)c(Cl)c1OC ZINC000423132652 500346662 /nfs/dbraw/zinc/34/66/62/500346662.db2.gz JRCLPYJIVGUNDL-GFCCVEGCSA-N 2 0 363.889 3.413 20 0 FGADRP CCc1ccc([C@H](CN[C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)[NH+](CC)CC)cc1 ZINC000423137840 500347372 /nfs/dbraw/zinc/34/73/72/500347372.db2.gz XAUUPLFYDJQHSZ-AFXVXQJMSA-N 2 0 373.585 3.379 20 0 FGADRP Clc1ccc2c(c1Cl)OCCC[C@@H]2[NH2+]CCCN1CC[NH2+]CC1 ZINC000423174366 500351148 /nfs/dbraw/zinc/35/11/48/500351148.db2.gz AOKJHLRKRADDJX-HNNXBMFYSA-N 2 0 358.313 3.092 20 0 FGADRP c1ccc(-c2nc3c(s2)[C@H]([NH2+]CCCN2CC[NH2+]CC2)CCC3)cc1 ZINC000423183084 500352549 /nfs/dbraw/zinc/35/25/49/500352549.db2.gz RCNWZGLEJPVDPJ-QGZVFWFLSA-N 2 0 356.539 3.072 20 0 FGADRP Fc1ccc(N2CC[C@H]([NH2+][C@H]3C[C@@]4(CC[NH2+]C4)Oc4ccccc43)C2)cc1 ZINC000423196379 500354154 /nfs/dbraw/zinc/35/41/54/500354154.db2.gz ZTPJUUXFMBUVSV-RBDMOPTHSA-N 2 0 367.468 3.250 20 0 FGADRP C[C@@H]([NH2+]C1CCC([NH3+])CC1)c1ccc(F)c(I)c1 ZINC000423232130 500356985 /nfs/dbraw/zinc/35/69/85/500356985.db2.gz MMQXONOHDJWOKE-OIKLOGQESA-N 2 0 362.230 3.351 20 0 FGADRP C[NH2+]C[C@@H](C)C[NH2+][C@@H](c1cccc(Br)c1)C1CCOCC1 ZINC000423255443 500358689 /nfs/dbraw/zinc/35/86/89/500358689.db2.gz ABCJUBSPGAVDJS-CXAGYDPISA-N 2 0 355.320 3.362 20 0 FGADRP CC(C)[C@@H]([NH3+])C[NH2+][C@@H](c1cccc(Br)c1)C1CCOCC1 ZINC000423280691 500361350 /nfs/dbraw/zinc/36/13/50/500361350.db2.gz UIJGPVOUOZOUNA-DLBZAZTESA-N 2 0 355.320 3.490 20 0 FGADRP C[C@@H]([NH3+])c1ccc(C(=O)N(C)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000423316197 500363422 /nfs/dbraw/zinc/36/34/22/500363422.db2.gz ASAGLRISZCLTKD-DYESRHJHSA-N 2 0 351.494 3.443 20 0 FGADRP C[NH2+]CCc1ccccc1C(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000423355877 500366920 /nfs/dbraw/zinc/36/69/20/500366920.db2.gz IUFINEJLBTZHJO-IBGZPJMESA-N 2 0 357.542 3.033 20 0 FGADRP FC(F)(F)[C@H](C[NH2+]C1c2ccccc2-c2ccccc21)N1CC[NH2+]CC1 ZINC000423393882 500369733 /nfs/dbraw/zinc/36/97/33/500369733.db2.gz RMVSUBFEKSDSRN-SFHVURJKSA-N 2 0 361.411 3.182 20 0 FGADRP COCC1(C[NH2+][C@@H](C)c2ccc(OCC(F)(F)F)cc2)CC[NH2+]CC1 ZINC000423409569 500371840 /nfs/dbraw/zinc/37/18/40/500371840.db2.gz QMGBYVCYIQCVOV-AWEZNQCLSA-N 2 0 360.420 3.295 20 0 FGADRP CCCCOc1ccc([C@@H](C)[NH2+][C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)cc1 ZINC000423444117 500375599 /nfs/dbraw/zinc/37/55/99/500375599.db2.gz AVQPOBOVVHBYJT-CNDZOEFASA-N 2 0 373.541 3.163 20 0 FGADRP COc1ccc(Cl)cc1[C@H](C)[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000423500919 500380102 /nfs/dbraw/zinc/38/01/02/500380102.db2.gz CEVNIACNHOFQDT-OOHWJJMZSA-N 2 0 351.922 3.216 20 0 FGADRP CC1CC[NH+]([C@@H](CNC(=O)C[C@@H]2CCC[NH2+]CC2)c2ccccc2)CC1 ZINC000427320371 500381043 /nfs/dbraw/zinc/38/10/43/500381043.db2.gz LEIRTLJOPKRKCF-CTNGQTDRSA-N 2 0 357.542 3.356 20 0 FGADRP C[C@H](N[C@@H]1C[NH2+]C[C@H]1c1ccccc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000423533156 500382924 /nfs/dbraw/zinc/38/29/24/500382924.db2.gz SLXJBPZOHJHDQZ-BULFRSBZSA-N 2 0 353.510 3.033 20 0 FGADRP C[C@@H]([NH2+]CC1([NH3+])C2CC3CC(C2)CC1C3)c1ccc(OCC[NH+](C)C)cc1 ZINC000423529654 500383040 /nfs/dbraw/zinc/38/30/40/500383040.db2.gz QFLRFHFLEYEWEH-NKZGEROYSA-N 3 0 371.569 3.431 20 0 FGADRP C[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)c1ccccc1I ZINC000423542180 500383826 /nfs/dbraw/zinc/38/38/26/500383826.db2.gz LWSXJKDISDGIIE-XDQVBPFNSA-N 2 0 370.278 3.330 20 0 FGADRP [NH3+]C[C@@H](Cc1ccccc1)[C@H]1CCCCN1C(=O)c1ccc2c[nH+]cn2c1 ZINC000423619394 500390023 /nfs/dbraw/zinc/39/00/23/500390023.db2.gz YINNXYCOANEPOR-TZIWHRDSSA-N 2 0 362.477 3.147 20 0 FGADRP C[NH+](C)[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1)c1cccc(F)c1 ZINC000431562458 500392341 /nfs/dbraw/zinc/39/23/41/500392341.db2.gz WYQDFRZATFVNCN-UXHICEINSA-N 2 0 361.505 3.342 20 0 FGADRP C[NH+](C)[C@@H](CC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000431656137 500404130 /nfs/dbraw/zinc/40/41/30/500404130.db2.gz VFRJZASMGLPTNL-SFTDATJTSA-N 2 0 351.494 3.070 20 0 FGADRP CC(C)C[NH+]1CCN(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000431671969 500406415 /nfs/dbraw/zinc/40/64/15/500406415.db2.gz WKGBSLXPZAGAFK-FPOVZHCZSA-N 2 0 372.557 3.023 20 0 FGADRP CC(C)C[NH+]1CCN(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000431671968 500406610 /nfs/dbraw/zinc/40/66/10/500406610.db2.gz WKGBSLXPZAGAFK-CTNGQTDRSA-N 2 0 372.557 3.023 20 0 FGADRP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000431673743 500406873 /nfs/dbraw/zinc/40/68/73/500406873.db2.gz PKRAHSJBTLURSH-NRSPTQNISA-N 2 0 372.557 3.021 20 0 FGADRP CC[NH+](CC)[C@H](C(=O)NCC1=CC[NH2+]CC1)c1cccc(C(F)(F)F)c1 ZINC000427586042 500408768 /nfs/dbraw/zinc/40/87/68/500408768.db2.gz BRNCWLMDHGHILN-KRWDZBQOSA-N 2 0 369.431 3.124 20 0 FGADRP CCc1nc2ccccc2n1C1CCN(C(=O)[C@]2(C)CCCC[NH2+]2)CC1 ZINC000423833271 500408975 /nfs/dbraw/zinc/40/89/75/500408975.db2.gz YZXZFNLUYQKJFD-NRFANRHFSA-N 2 0 354.498 3.294 20 0 FGADRP CC(C)(C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)[C@@H]([NH3+])c1ccccc1 ZINC000423906267 500417737 /nfs/dbraw/zinc/41/77/37/500417737.db2.gz PWZDCBWWMQDEQC-SXLOBPIMSA-N 2 0 355.526 3.188 20 0 FGADRP [NH3+][C@@H]1CCC[C@H]1CC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000423907634 500418285 /nfs/dbraw/zinc/41/82/85/500418285.db2.gz RONUYNURHYDODC-BQJUDKOJSA-N 2 0 355.526 3.017 20 0 FGADRP CC1CCC(O)(C[NH+]2CCC(CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)CC1 ZINC000427675929 500419808 /nfs/dbraw/zinc/41/98/08/500419808.db2.gz BRBDEIJPHCCWMF-SGBLEOHJSA-N 2 0 352.563 3.139 20 0 FGADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000431795796 500426062 /nfs/dbraw/zinc/42/60/62/500426062.db2.gz HVLUWDVNOBTQPQ-SFTDATJTSA-N 2 0 374.573 3.448 20 0 FGADRP O=C([C@@H]1CCCC[N@@H+]1C1CCCC1)N1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000431845529 500433188 /nfs/dbraw/zinc/43/31/88/500433188.db2.gz OVGRWIWGKYZVMO-UIFIKXQLSA-N 2 0 359.558 3.259 20 0 FGADRP C[C@H]1CCN(C(=O)c2cccc(C[N@H+](C)Cc3ccccc3)c2)C[C@H]1C[NH3+] ZINC000424003509 500433596 /nfs/dbraw/zinc/43/35/96/500433596.db2.gz RGXPLBMXJTYWKL-PGRDOPGGSA-N 2 0 365.521 3.376 20 0 FGADRP O=C(N[C@@H]1CCC[N@H+](CC[C@@H]2CCC[NH2+]C2)C1)c1ccc2ccccc2c1 ZINC000420296762 500436151 /nfs/dbraw/zinc/43/61/51/500436151.db2.gz DTZDRWFBVBKCFO-PGRDOPGGSA-N 2 0 365.521 3.424 20 0 FGADRP C[C@@H]([NH3+])C1CC[NH+]([C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)CC1 ZINC000420299406 500436448 /nfs/dbraw/zinc/43/64/48/500436448.db2.gz UAGYUSJZSKEAKK-BDJLRTHQSA-N 2 0 356.297 3.158 20 0 FGADRP COc1ccc([C@@H](C[NH3+])C[N@H+](C)[C@@H](C)c2ccc(-n3cncn3)cc2)cc1 ZINC000420317654 500441026 /nfs/dbraw/zinc/44/10/26/500441026.db2.gz NPBXXBIWCZDQCS-LPHOPBHVSA-N 2 0 365.481 3.011 20 0 FGADRP Brc1ccc(OCC[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000420330969 500443129 /nfs/dbraw/zinc/44/31/29/500443129.db2.gz BFNSSTIAHRCJBB-LSDHHAIUSA-N 2 0 353.304 3.149 20 0 FGADRP C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000420337329 500444153 /nfs/dbraw/zinc/44/41/53/500444153.db2.gz JVLPENVAEHVOGW-PGRDOPGGSA-N 2 0 369.553 3.278 20 0 FGADRP CC(C)C[C@H](NC(=O)C[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)c1ccccc1 ZINC000420340157 500444862 /nfs/dbraw/zinc/44/48/62/500444862.db2.gz MSOOQJBYQJNIEX-NJYVYQBISA-N 2 0 357.542 3.212 20 0 FGADRP [NH3+]C[C@@H]1C[N@H+](CCCOc2ccc3ccccc3c2)CC12CCOCC2 ZINC000420339902 500444979 /nfs/dbraw/zinc/44/49/79/500444979.db2.gz ZIBMYWNDWNVZGM-HXUWFJFHSA-N 2 0 354.494 3.296 20 0 FGADRP CC(C)(C)N(Cc1ccccc1)C(=O)C[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420346475 500445333 /nfs/dbraw/zinc/44/53/33/500445333.db2.gz YJFQMIPRMANHSQ-VQTJNVASSA-N 2 0 357.542 3.135 20 0 FGADRP O=C(CC[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)Nc1ccc(Cl)cc1F ZINC000420346941 500446170 /nfs/dbraw/zinc/44/61/70/500446170.db2.gz ZMPMSLODWYFDEN-ZIAGYGMSSA-N 2 0 353.869 3.129 20 0 FGADRP [NH3+][C@H]1CCCO[C@@H]1C1CC[NH+](CCOc2ccc(Cl)c(F)c2)CC1 ZINC000420367905 500448592 /nfs/dbraw/zinc/44/85/92/500448592.db2.gz AJFJBBXBTMPYIY-ZWKOTPCHSA-N 2 0 356.869 3.076 20 0 FGADRP Cc1oc(-c2ccsc2)nc1C[NH+]1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000420388220 500453128 /nfs/dbraw/zinc/45/31/28/500453128.db2.gz WZMBQKDYIULOSP-WMZOPIPTSA-N 2 0 361.511 3.430 20 0 FGADRP C[C@H]([NH2+]C1(C(=O)Nc2ccccc2)CC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000427991868 500455617 /nfs/dbraw/zinc/45/56/17/500455617.db2.gz ZYEIQHCCJFZQMZ-KRWDZBQOSA-N 2 0 367.493 3.449 20 0 FGADRP Brc1ccc(OCC[N@@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cc1 ZINC000420407824 500456789 /nfs/dbraw/zinc/45/67/89/500456789.db2.gz VMXVCKRPBPGXBY-WMLDXEAASA-N 2 0 353.304 3.292 20 0 FGADRP O=C(CC[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1)Nc1cccc(C(F)(F)F)c1 ZINC000420406925 500456833 /nfs/dbraw/zinc/45/68/33/500456833.db2.gz UUOBUYUUUYFADX-YOEHRIQHSA-N 2 0 369.431 3.498 20 0 FGADRP COc1ccc([C@H](C[NH3+])C[NH2+][C@@H]2CCO[C@H]2c2ccc(F)c(F)c2)cc1 ZINC000420414062 500457621 /nfs/dbraw/zinc/45/76/21/500457621.db2.gz UFYTZMNLDXOYLD-YSGRDPCXSA-N 2 0 362.420 3.136 20 0 FGADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000428065476 500464217 /nfs/dbraw/zinc/46/42/17/500464217.db2.gz FNHBHPWABVPQBU-SBHAEUEKSA-N 2 0 357.542 3.278 20 0 FGADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H](Cc2ccncc2)c2cccs2)CC1 ZINC000424272403 500479792 /nfs/dbraw/zinc/47/97/92/500479792.db2.gz UCPRCYKHJCEATD-IEBWSBKVSA-N 2 0 358.555 3.043 20 0 FGADRP COC(=O)c1cc2c(o1)c(OC)ccc2C[N@@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424368910 500492715 /nfs/dbraw/zinc/49/27/15/500492715.db2.gz ARTNNJFLTFTAKX-CQSZACIVSA-N 2 0 372.465 3.192 20 0 FGADRP C[NH+](C)C1CCC(NC(=O)NCC[NH+]2CCC3(CCCCC3)CC2)CC1 ZINC000420864812 500517953 /nfs/dbraw/zinc/51/79/53/500517953.db2.gz NQESZCDSFWOAAV-UHFFFAOYSA-N 2 0 364.578 3.205 20 0 FGADRP Cc1ccc([C@H](CNC(=O)NC2CCC([NH+](C)C)CC2)[NH+]2CCCC2)cc1 ZINC000420911540 500528350 /nfs/dbraw/zinc/52/83/50/500528350.db2.gz YFISISQDWIUPDJ-CBNMVNINSA-N 2 0 372.557 3.304 20 0 FGADRP Cc1n[nH]c(C)c1[C@H]1CCC[N@@H+]1Cc1ccc(CN2CCOCC2)cc1 ZINC000420956370 500540543 /nfs/dbraw/zinc/54/05/43/500540543.db2.gz ZKVSWTJRAUSWBN-HXUWFJFHSA-N 2 0 354.498 3.196 20 0 FGADRP CC[N@@H+]1CCCN(C(=O)NC[C@H](CC(C)C)[NH2+][C@@H](C)c2ccccc2)CC1 ZINC000428690805 500544334 /nfs/dbraw/zinc/54/43/34/500544334.db2.gz LSJCOUKOOUOOAF-FPOVZHCZSA-N 2 0 374.573 3.489 20 0 FGADRP CC[NH+]1CCC(N2CCC[N@H+](CCCc3cccc(OC)c3)CC2)CC1 ZINC000420986344 500548615 /nfs/dbraw/zinc/54/86/15/500548615.db2.gz XZMKZPAIUQJACB-UHFFFAOYSA-N 2 0 359.558 3.120 20 0 FGADRP CC[NH+](CC)[C@H](C(=O)N1CCC([NH3+])CC1)c1cccc(C(F)(F)F)c1 ZINC000428742801 500551871 /nfs/dbraw/zinc/55/18/71/500551871.db2.gz DKUCFEQHVVOHCX-INIZCTEOSA-N 2 0 357.420 3.038 20 0 FGADRP CC[NH+](CC)CCCNC(=O)C1CC[NH+](Cc2sccc2C)CC1 ZINC000573487438 506202820 /nfs/dbraw/zinc/20/28/20/506202820.db2.gz JZEXWIBCZNZXGI-UHFFFAOYSA-N 2 0 351.560 3.117 20 0 FGADRP Cc1ccc(NC(=O)N2CC[NH+](CCC3CC[NH2+]CC3)CC2)cc1Cl ZINC000576637630 506203319 /nfs/dbraw/zinc/20/33/19/506203319.db2.gz VVISUESPJJRUOJ-UHFFFAOYSA-N 2 0 364.921 3.188 20 0 FGADRP C[C@H](c1ccc(Cl)cc1)[C@@H](C)N(C)C(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433116892 500628978 /nfs/dbraw/zinc/62/89/78/500628978.db2.gz NFUIIVDDZHUCNF-JKSUJKDBSA-N 2 0 365.949 3.494 20 0 FGADRP CCCCc1nc2cc(NC(=O)CCC[NH+]3CCC([NH3+])CC3)ccc2[nH]1 ZINC000433114630 500629424 /nfs/dbraw/zinc/62/94/24/500629424.db2.gz GMBXQAPIOQUXLK-UHFFFAOYSA-N 2 0 357.502 3.047 20 0 FGADRP [NH3+]C1CC[NH+](CCCC(=O)Nc2ncccc2OCC2CCCCC2)CC1 ZINC000433135073 500633116 /nfs/dbraw/zinc/63/31/16/500633116.db2.gz MMJUNHXXIWZJJO-UHFFFAOYSA-N 2 0 374.529 3.183 20 0 FGADRP CC(C)[C@H](NC(=O)CCC[NH+]1CCC([NH3+])CC1)c1ccc(Cl)cc1 ZINC000433150101 500635006 /nfs/dbraw/zinc/63/50/06/500635006.db2.gz FUQHMFYOVBLQMJ-IBGZPJMESA-N 2 0 351.922 3.357 20 0 FGADRP C[C@@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)c1ccc(OCC(F)(F)F)cc1 ZINC000442865784 500636026 /nfs/dbraw/zinc/63/60/26/500636026.db2.gz GTTDUEBXQYCIRT-OAHLLOKOSA-N 2 0 373.463 3.304 20 0 FGADRP C[C@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)c1ccc(-c2ccncc2)cc1 ZINC000442888368 500641376 /nfs/dbraw/zinc/64/13/76/500641376.db2.gz GGAHWQDRDBDRBD-SFHVURJKSA-N 2 0 352.526 3.425 20 0 FGADRP COc1ccc(C2CCC([NH2+]CCN3CC[N@H+](C)C(C)(C)C3)CC2)cc1 ZINC000442888234 500641597 /nfs/dbraw/zinc/64/15/97/500641597.db2.gz FSWFXRPPAVAVOZ-UHFFFAOYSA-N 2 0 359.558 3.337 20 0 FGADRP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+]2CCCC23CCC3)CC1 ZINC000433210241 500647509 /nfs/dbraw/zinc/64/75/09/500647509.db2.gz VAUUJAQPYIHJCU-UHFFFAOYSA-N 2 0 355.526 3.094 20 0 FGADRP CC[NH+](CC)CCSCC(=O)Nc1cccc2c1OCC[C@@H]2[NH+](C)C ZINC000447720090 500652238 /nfs/dbraw/zinc/65/22/38/500652238.db2.gz AQNFLHPBXFGIQI-KRWDZBQOSA-N 2 0 365.543 3.085 20 0 FGADRP [NH3+]CC[C@H]1CCC[N@H+](CC(=O)Nc2cccc(Oc3ccccc3)c2)C1 ZINC000443059109 500671341 /nfs/dbraw/zinc/67/13/41/500671341.db2.gz MBCUGDSACWCJIX-QGZVFWFLSA-N 2 0 353.466 3.478 20 0 FGADRP Cc1ccc([C@H](CNC(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)[NH+]2CCCC2)o1 ZINC000433608405 500720780 /nfs/dbraw/zinc/72/07/80/500720780.db2.gz KDIDVRRNSBTLKE-MOPGFXCFSA-N 2 0 374.529 3.041 20 0 FGADRP CC[NH+]1CCN(c2ccc(C[NH2+][C@H](C)Cc3ccccc3F)cn2)CC1 ZINC000438080302 500735697 /nfs/dbraw/zinc/73/56/97/500735697.db2.gz LVLUQFYZMCAPLR-QGZVFWFLSA-N 2 0 356.489 3.083 20 0 FGADRP C[C@H](NC(=O)NC[C@H]1[N@H+](C)CCCC1(C)C)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000448252167 500738857 /nfs/dbraw/zinc/73/88/57/500738857.db2.gz LZHVGDACBGMKDT-YQVWRLOYSA-N 2 0 364.578 3.059 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)N[C@H]2CC[C@@H](C[NH3+])C2)C1 ZINC000570693693 506214095 /nfs/dbraw/zinc/21/40/95/506214095.db2.gz RJTADPDAZZTTJF-IIMDRIAPSA-N 2 0 372.557 3.091 20 0 FGADRP C[C@H]([NH2+]C(C)(C)CNC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)c1ccccc1 ZINC000443630388 500747476 /nfs/dbraw/zinc/74/74/76/500747476.db2.gz OACVPZVXUXUXOT-IRXDYDNUSA-N 2 0 362.562 3.391 20 0 FGADRP CCc1ccc([C@H](CNC(=O)N[C@H](C)C(C)(C)C[NH+](C)C)[NH+](C)C)cc1 ZINC000443652706 500750149 /nfs/dbraw/zinc/75/01/49/500750149.db2.gz LOIWOMPWEFNUJQ-APWZRJJASA-N 2 0 362.562 3.127 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@H]1C[C@H]1c1sccc1C ZINC000438909483 500833842 /nfs/dbraw/zinc/83/38/42/500833842.db2.gz DESFMTGRTNOXPC-KURKYZTESA-N 2 0 363.571 3.035 20 0 FGADRP C[N@@H+](Cc1cccnc1)C[C@H]1CCN(Cc2nc3cccnc3s2)C1 ZINC000434505108 500852802 /nfs/dbraw/zinc/85/28/02/500852802.db2.gz XRVHGWNMFABUIO-MRXNPFEDSA-N 2 0 353.495 3.040 20 0 FGADRP O=C(CC[NH+]1CCC(C[NH+]2CCCC2)CC1)Nc1cc(F)cc(F)c1 ZINC000434622127 500867732 /nfs/dbraw/zinc/86/77/32/500867732.db2.gz ATYLMFLXCPMEBI-UHFFFAOYSA-N 2 0 351.441 3.101 20 0 FGADRP CCN1CC[NH+](CCCC[NH2+]Cc2cc3ccccc3c(OC)c2)CC1 ZINC000449080862 500919194 /nfs/dbraw/zinc/91/91/94/500919194.db2.gz ZTTOMCMPHGYRMG-UHFFFAOYSA-N 2 0 355.526 3.356 20 0 FGADRP C[C@H](C[NH2+]CCCC[N@@H+]1CCCC[C@@H]1C)c1ccc(S(C)(=O)=O)cc1 ZINC000449081209 500919673 /nfs/dbraw/zinc/91/96/73/500919673.db2.gz CPCUYRFQBCJNKA-MSOLQXFVSA-N 2 0 366.571 3.438 20 0 FGADRP CC[NH+]1CCN(CCCC[NH2+][C@@H]2CCc3cc(F)c(F)c(F)c32)CC1 ZINC000449079498 500919694 /nfs/dbraw/zinc/91/96/94/500919694.db2.gz OVQCJBPXVPAEBG-MRXNPFEDSA-N 2 0 355.448 3.099 20 0 FGADRP c1nc(CCc2ccccc2)sc1C[NH2+]CCCC[NH+]1CCOCC1 ZINC000449082223 500919950 /nfs/dbraw/zinc/91/99/50/500919950.db2.gz LOUCLEPNOJVMKV-UHFFFAOYSA-N 2 0 359.539 3.130 20 0 FGADRP COCCC[NH+]1CCC(NC2CC[NH+]([C@H](C)Cc3ccccc3)CC2)CC1 ZINC000449110589 500927618 /nfs/dbraw/zinc/92/76/18/500927618.db2.gz FBDMGLAARNLRDL-HXUWFJFHSA-N 2 0 373.585 3.173 20 0 FGADRP O=C(NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)[C@@H]1CCC[NH+]1C1CCCC1 ZINC000439844140 500944873 /nfs/dbraw/zinc/94/48/73/500944873.db2.gz SVMLKKMCQBYXKN-UNMCSNQZSA-N 2 0 369.553 3.074 20 0 FGADRP O=C(NCc1cccc(C[NH+]2CCCC2)c1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000439905071 500953183 /nfs/dbraw/zinc/95/31/83/500953183.db2.gz SLVXOIAWIYZJFC-NRFANRHFSA-N 2 0 355.526 3.306 20 0 FGADRP C[NH2+]CC1CC[NH+](Cc2ccc(OC)c(OCc3cccnc3)c2)CC1 ZINC000435371471 500961693 /nfs/dbraw/zinc/96/16/93/500961693.db2.gz VGJSITBKYAEBIT-UHFFFAOYSA-N 2 0 355.482 3.101 20 0 FGADRP COc1ccc(C(=O)Nc2cccc(C[N@@H+]3C[C@@H]4CC[C@H]([NH3+])[C@H]4C3)c2)cc1 ZINC000435379803 500963482 /nfs/dbraw/zinc/96/34/82/500963482.db2.gz NNTYZXGIDJXNMW-YYWHXJBOSA-N 2 0 365.477 3.117 20 0 FGADRP Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000435380898 500964141 /nfs/dbraw/zinc/96/41/41/500964141.db2.gz UHPLKIYONWCBNE-PWIZWCRZSA-N 2 0 358.917 3.371 20 0 FGADRP COc1ccc(OCc2ccccn2)c(CN2CCC[C@H]([C@H](C)[NH3+])C2)c1 ZINC000435386721 500965380 /nfs/dbraw/zinc/96/53/80/500965380.db2.gz VJKODEARUBKZSO-IRXDYDNUSA-N 2 0 355.482 3.228 20 0 FGADRP C[C@@H]([NH3+])C1CC[NH+](Cc2nc(-c3ccc(Br)cc3)c[nH]2)CC1 ZINC000435396201 500967590 /nfs/dbraw/zinc/96/75/90/500967590.db2.gz VALXFTCSVKEXML-GFCCVEGCSA-N 2 0 363.303 3.398 20 0 FGADRP Cn1nnc2cc(C[N@H+](Cc3ccsc3)[C@H]3CC34CC[NH2+]CC4)ccc21 ZINC000435425568 500972569 /nfs/dbraw/zinc/97/25/69/500972569.db2.gz DHWSKUQAPJXMEY-IBGZPJMESA-N 2 0 367.522 3.174 20 0 FGADRP Cc1[nH]nc2ncc(C[N@H+](Cc3ccsc3)[C@@H]3CC34CC[NH2+]CC4)cc12 ZINC000435426438 500972757 /nfs/dbraw/zinc/97/27/57/500972757.db2.gz IBOIYCGIBPIPFU-GOSISDBHSA-N 2 0 367.522 3.472 20 0 FGADRP CC[C@@H]1C[C@@H](C[N@H+](Cc2nccn2CC)[C@@H]2CC23CC[NH2+]CC3)CCO1 ZINC000435437002 500977033 /nfs/dbraw/zinc/97/70/33/500977033.db2.gz IBZLHDAQZVIZSS-IPMKNSEASA-N 2 0 360.546 3.052 20 0 FGADRP Cn1cc(C[N@@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)c(-c2ccc(F)cc2)n1 ZINC000449325056 500977618 /nfs/dbraw/zinc/97/76/18/500977618.db2.gz JNUFUOVIZQPWMJ-SFHVURJKSA-N 2 0 356.489 3.390 20 0 FGADRP C[C@H](Cc1coc2ccccc12)[NH2+]Cc1ccncc1OCC[NH+](C)C ZINC000449327535 500978956 /nfs/dbraw/zinc/97/89/56/500978956.db2.gz DYBZZWWMURNXNO-MRXNPFEDSA-N 2 0 353.466 3.489 20 0 FGADRP CC(C)C1CCC([NH+]2CCN(C(=O)N[C@@H]3CC[N@H+](C)[C@H](C)C3)CC2)CC1 ZINC000440197892 500986293 /nfs/dbraw/zinc/98/62/93/500986293.db2.gz WVKGLCVVNPEBAF-ADEKHHIBSA-N 2 0 364.578 3.011 20 0 FGADRP CSc1ccccc1[C@H](C)[NH2+]CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000440625612 501030098 /nfs/dbraw/zinc/03/00/98/501030098.db2.gz PFPRFGIBAKOIPV-LPHOPBHVSA-N 2 0 371.550 3.478 20 0 FGADRP C[NH+](C)C1(CNC(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)CCC1 ZINC000445851735 501041858 /nfs/dbraw/zinc/04/18/58/501041858.db2.gz JGTVKYPDDVXYBL-UHFFFAOYSA-N 2 0 372.557 3.346 20 0 FGADRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2cnc(-c3cccs3)s2)CC1 ZINC000449746856 501073932 /nfs/dbraw/zinc/07/39/32/501073932.db2.gz UJBWROYAQMYHMC-UHFFFAOYSA-N 2 0 364.584 3.377 20 0 FGADRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2cc(Br)cs2)CC1 ZINC000449753448 501075710 /nfs/dbraw/zinc/07/57/10/501075710.db2.gz ONZRNPOXRFUNAM-UHFFFAOYSA-N 2 0 360.365 3.016 20 0 FGADRP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N(C)CC2([NH+](C)C)CCC2)C1 ZINC000446136226 501080146 /nfs/dbraw/zinc/08/01/46/501080146.db2.gz FCOKAZLPXCGMCT-KRWDZBQOSA-N 2 0 352.567 3.013 20 0 FGADRP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2CCOc1ccc2ccccc2c1 ZINC000441172065 501098414 /nfs/dbraw/zinc/09/84/14/501098414.db2.gz HAHGVLZRFCGITN-HJNYFJLDSA-N 2 0 354.494 3.402 20 0 FGADRP CC(C)Oc1ccc2[nH+]ccc(N3C[C@H]([NH+]4CCOCC4)[C@@H](C)C3)c2c1 ZINC000450372316 501103577 /nfs/dbraw/zinc/10/35/77/501103577.db2.gz OAHZZCSBMHSSEJ-KKSFZXQISA-N 2 0 355.482 3.179 20 0 FGADRP COc1ccc([C@H](CNC(=O)C[N@H+](C)CCC2CC2)[NH+]2CCCCC2)cc1 ZINC000441220583 501104856 /nfs/dbraw/zinc/10/48/56/501104856.db2.gz CPBVZFYGJHRIQT-NRFANRHFSA-N 2 0 373.541 3.070 20 0 FGADRP C[C@@H]1C[C@@H](NC(=O)NCC2([NH+]3CCCCC3)CCCCC2)C[N@@H+]1C1CC1 ZINC000441287922 501114775 /nfs/dbraw/zinc/11/47/75/501114775.db2.gz RYQJEZQMTFEEND-QZTJIDSGSA-N 2 0 362.562 3.100 20 0 FGADRP C[N@@H+]1CCN(CC[NH2+]Cc2ccccc2OCc2ccccc2)CC1(C)C ZINC000441346956 501124739 /nfs/dbraw/zinc/12/47/39/501124739.db2.gz BSYQEFJWJYMZEB-UHFFFAOYSA-N 2 0 367.537 3.381 20 0 FGADRP O=C(NCCC[NH+]1CCCCC1)C1CC[NH+](C[C@H]2CCC(F)(F)C2)CC1 ZINC000450619988 501168265 /nfs/dbraw/zinc/16/82/65/501168265.db2.gz UXJXGHRBDALSKL-KRWDZBQOSA-N 2 0 371.516 3.126 20 0 FGADRP CCC[NH+]1CCC(C[NH2+][C@H](CCn2cncn2)c2ccc(C)cc2)CC1 ZINC000446816736 501168243 /nfs/dbraw/zinc/16/82/43/501168243.db2.gz HCXRYNXOIVVPOJ-OAQYLSRUSA-N 2 0 355.530 3.430 20 0 FGADRP CCC(CC)n1ccc(CN2CC[C@H](Oc3cccnc3N(C)C)C2)n1 ZINC000451030838 501240658 /nfs/dbraw/zinc/24/06/58/501240658.db2.gz VCPSKKGGDZGTCP-SFHVURJKSA-N 2 0 357.502 3.359 20 0 FGADRP C[NH+](C)CCc1ccc(CNC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)cc1 ZINC000451056029 501242400 /nfs/dbraw/zinc/24/24/00/501242400.db2.gz NLCJWGYFVOZTTD-OAQYLSRUSA-N 2 0 357.542 3.204 20 0 FGADRP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2[C@H](C)[C@H](CC(F)(F)F)C[C@@H]2C)CC1 ZINC000451148379 501248267 /nfs/dbraw/zinc/24/82/67/501248267.db2.gz QCLOEOPNJWMZCJ-ZNMIVQPWSA-N 2 0 363.468 3.027 20 0 FGADRP CC[C@H](C)NC(=O)CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000453087035 501265890 /nfs/dbraw/zinc/26/58/90/501265890.db2.gz VHNXDPRYCARPBN-KCLUMXDGSA-N 2 0 357.542 3.324 20 0 FGADRP O=C1CCCN1CCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000453098665 501268376 /nfs/dbraw/zinc/26/83/76/501268376.db2.gz VOAPIFZKWREIID-NJYVYQBISA-N 2 0 355.526 3.032 20 0 FGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@@H](C)c2ncc(-c3ccccc3)n2C)CC1 ZINC000453105113 501270171 /nfs/dbraw/zinc/27/01/71/501270171.db2.gz GWOVTMBQWVUAHG-OALUTQOASA-N 2 0 369.557 3.011 20 0 FGADRP CC[C@@H](C)[NH+]1CCN(C(=O)NCc2ccccc2C[N@H+](C)C(C)C)CC1 ZINC000457641775 501274786 /nfs/dbraw/zinc/27/47/86/501274786.db2.gz DOYGYIDJUYUWCQ-GOSISDBHSA-N 2 0 360.546 3.153 20 0 FGADRP CCC(CC)[C@@H](CNC(=O)NCC1([NH+](C)C)CCCC1)[NH+]1CCCC1 ZINC000611647498 506244133 /nfs/dbraw/zinc/24/41/33/506244133.db2.gz JCVAJOWTYFNCQI-GOSISDBHSA-N 2 0 352.567 3.061 20 0 FGADRP C[C@H]1CCC[C@H]([NH+]2CCC([N@H+]3C[C@H]4C[C@H](Cn5c(=O)cccc54)C3)CC2)C1 ZINC000453286657 501308069 /nfs/dbraw/zinc/30/80/69/501308069.db2.gz RADYERICGMXDFX-HUUJSLGLSA-N 2 0 369.553 3.311 20 0 FGADRP CC(=O)N1CCCN(C[C@H]2CCC[N@H+](C[C@H]3CCCCC3(F)F)C2)CC1 ZINC000451533222 501315186 /nfs/dbraw/zinc/31/51/86/501315186.db2.gz VRBOMMAULMNOTG-RTBURBONSA-N 2 0 371.516 3.078 20 0 FGADRP C[C@H](C(=O)NCC[C@@H]1CCC[N@H+](C)C1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000458172536 501384267 /nfs/dbraw/zinc/38/42/67/501384267.db2.gz QUEXZQNDVCRSLG-KNQAVFIVSA-N 2 0 371.569 3.178 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1scnc1C(C)C ZINC000455845235 501399013 /nfs/dbraw/zinc/39/90/13/501399013.db2.gz LSRJBFDOTOVXSB-HNNXBMFYSA-N 2 0 367.563 3.146 20 0 FGADRP Cc1ccccc1C[NH+]1CCC(NC(=O)C[NH2+][C@@H](C)C2CCCC2)CC1 ZINC000451986922 501413698 /nfs/dbraw/zinc/41/36/98/501413698.db2.gz MAHIJDHSYONYDO-SFHVURJKSA-N 2 0 357.542 3.244 20 0 FGADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)NC(C)(C)C[NH+]1CCCC1 ZINC000458522833 501465778 /nfs/dbraw/zinc/46/57/78/501465778.db2.gz YKYZSWDDSBZITK-AZUAARDMSA-N 2 0 372.557 3.071 20 0 FGADRP CC[C@H]1C[N@H+](CC)CCN1C(=O)N[C@@H](C)c1ccc(-n2ccnc2C)cc1 ZINC000458535126 501468191 /nfs/dbraw/zinc/46/81/91/501468191.db2.gz PMBDCQMKXLJXOL-LPHOPBHVSA-N 2 0 369.513 3.367 20 0 FGADRP CC(C)[NH+]1CCC(NC(=O)N2CC[N@H+](Cc3ccccc3)C[C@@H](C)C2)CC1 ZINC000454190244 501479036 /nfs/dbraw/zinc/47/90/36/501479036.db2.gz IJZCSLLSCOBNFC-LJQANCHMSA-N 2 0 372.557 3.023 20 0 FGADRP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H](C)[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000458689420 501508794 /nfs/dbraw/zinc/50/87/94/501508794.db2.gz SSDAQFLKZRALHV-TYPHKJRUSA-N 2 0 372.557 3.021 20 0 FGADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)NC2CC[NH+](C3CCC3)CC2)C1 ZINC000454367189 501524679 /nfs/dbraw/zinc/52/46/79/501524679.db2.gz NSAWSBYMKDYSNU-XLIONFOSSA-N 2 0 370.541 3.138 20 0 FGADRP Cc1ccccc1[C@H]([C@H](C)NC(=O)N1CC[N@@H+](C2CC2)C[C@@H](C)C1)[NH+](C)C ZINC000458763188 501525913 /nfs/dbraw/zinc/52/59/13/501525913.db2.gz IIQOAELESJXOOA-MMOPVJDHSA-N 2 0 372.557 3.112 20 0 FGADRP CCn1ccnc1[C@@H](C)NC(=O)NC[C@H](c1ccc(C)o1)[NH+]1CCCC1 ZINC000454420498 501540482 /nfs/dbraw/zinc/54/04/82/501540482.db2.gz DJIUGBXYLCRFOD-HZPDHXFCSA-N 2 0 359.474 3.002 20 0 FGADRP CCCN(CC[NH+]1CCCCCC1)C(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000459317986 501629617 /nfs/dbraw/zinc/62/96/17/501629617.db2.gz QSXRZILWSSAUBP-IBGZPJMESA-N 2 0 352.567 3.016 20 0 FGADRP CC[NH+](CC)CCOc1ccc(C(=O)NC(C)(C)C[NH+]2CCCC2)cc1 ZINC000457054814 501641891 /nfs/dbraw/zinc/64/18/91/501641891.db2.gz QYIJUFSNHIENIB-UHFFFAOYSA-N 2 0 361.530 3.011 20 0 FGADRP C[C@H]1CN(c2ccccc2C[NH2+]Cc2ccc(C[NH+](C)C)cc2)CCO1 ZINC000459378511 501642153 /nfs/dbraw/zinc/64/21/53/501642153.db2.gz OOWHABMLVAHBKZ-SFHVURJKSA-N 2 0 353.510 3.263 20 0 FGADRP CC[N@@H+]1CC[C@H](C[NH2+]Cc2cn(C3CCCC3)nc2-c2ccccn2)C1 ZINC000459387809 501644395 /nfs/dbraw/zinc/64/43/95/501644395.db2.gz KFJDZTPVHBICEE-QGZVFWFLSA-N 2 0 353.514 3.492 20 0 FGADRP Fc1ccccc1N1CCC[C@H]([NH2+]C2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000459446250 501655455 /nfs/dbraw/zinc/65/54/55/501655455.db2.gz DSRLOVOCGHTCMO-SFHVURJKSA-N 2 0 354.473 3.448 20 0 FGADRP COC(=O)[C@@H](Cc1ccccc1)[C@@H](C)[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000459515917 501667932 /nfs/dbraw/zinc/66/79/32/501667932.db2.gz DCHJPRDZBXWBAH-UTKZUKDTSA-N 2 0 367.493 3.060 20 0 FGADRP C[NH+](C)CCCC(C)(C)NC(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000457384047 501691109 /nfs/dbraw/zinc/69/11/09/501691109.db2.gz ZOTBZOHTALDGLZ-LJQANCHMSA-N 2 0 360.546 3.243 20 0 FGADRP CCC[NH+]1CCN(c2ccccc2C[NH2+]Cc2ccc3c[nH+]cn3c2)CC1 ZINC000459659860 501694423 /nfs/dbraw/zinc/69/44/23/501694423.db2.gz MYVYBZVOXMIURI-UHFFFAOYSA-N 3 0 363.509 3.156 20 0 FGADRP COc1ccc([C@@H](CO)C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000459727444 501704672 /nfs/dbraw/zinc/70/46/72/501704672.db2.gz FEVABRGWANHNEV-OAQYLSRUSA-N 2 0 368.521 3.068 20 0 FGADRP C[N@@H+]1CCC[C@H](CC[NH2+]Cc2cn(-c3cccc(Cl)c3Cl)nn2)C1 ZINC000459739382 501706665 /nfs/dbraw/zinc/70/66/65/501706665.db2.gz SLPKBDPBHNCRQQ-CYBMUJFWSA-N 2 0 368.312 3.396 20 0 FGADRP COc1ccc([C@H](CO)C[NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3C)CC2)cc1 ZINC000459757343 501709535 /nfs/dbraw/zinc/70/95/35/501709535.db2.gz RPFOVCGFUZQQIY-JLMWRMLUSA-N 2 0 360.542 3.404 20 0 FGADRP C[C@H]([NH2+]C1(C2CCC2)CCC1)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000459772483 501712260 /nfs/dbraw/zinc/71/22/60/501712260.db2.gz OHUUUXKBAIYPIX-FXAWDEMLSA-N 2 0 355.526 3.078 20 0 FGADRP C[NH+](C)CCN(Cc1cccs1)C(=O)C1(C[NH+](C)C)CCCCC1 ZINC000460125895 501732278 /nfs/dbraw/zinc/73/22/78/501732278.db2.gz YITZVCWFWRUDDD-UHFFFAOYSA-N 2 0 351.560 3.150 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC000460286510 501780979 /nfs/dbraw/zinc/78/09/79/501780979.db2.gz FRKIGLZBNVAAOH-KDURUIRLSA-N 2 0 351.579 3.373 20 0 FGADRP C[C@@H](Cc1ccccc1C(F)(F)F)[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000481666880 501843920 /nfs/dbraw/zinc/84/39/20/501843920.db2.gz HNBNIVYZAWHMCW-HNNXBMFYSA-N 2 0 357.464 3.252 20 0 FGADRP C[C@H](CCc1ccc(I)cc1)[NH2+]CCC[NH+](C)C ZINC000474462227 501844501 /nfs/dbraw/zinc/84/45/01/501844501.db2.gz SBBPSQOEGNUUAH-CYBMUJFWSA-N 2 0 360.283 3.154 20 0 FGADRP Cc1ccccc1-n1nccc1C[NH2+]Cc1cccc(OCC[NH+](C)C)c1 ZINC000474476088 501848029 /nfs/dbraw/zinc/84/80/29/501848029.db2.gz VSLVQGPDFHJPNW-UHFFFAOYSA-N 2 0 364.493 3.411 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H]2CCc3cnn(C(C)C)c3C2)[C@@H](C)C1 ZINC000478148415 501893962 /nfs/dbraw/zinc/89/39/62/501893962.db2.gz YPXNLFJMOPRJCP-IHPCNDPISA-N 2 0 362.562 3.048 20 0 FGADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCC(=O)Nc2ccc(OC)c(Cl)c2)C[C@H]1C ZINC000485671591 501896412 /nfs/dbraw/zinc/89/64/12/501896412.db2.gz JBQPONCWVPFCHU-GDBMZVCRSA-N 2 0 367.921 3.482 20 0 FGADRP COc1ccccc1[C@@H](CNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C)[NH+]1CCCCC1 ZINC000468014050 501929670 /nfs/dbraw/zinc/92/96/70/501929670.db2.gz NIJTXJJOMZCMOR-WSTZPKSXSA-N 2 0 373.541 3.211 20 0 FGADRP O[C@@H]1CC[N@H+](Cc2ccccc2C[NH2+][C@H](c2cccnc2)C2CCC2)C1 ZINC000481995839 501939641 /nfs/dbraw/zinc/93/96/41/501939641.db2.gz XOOBCOOFZMMNDA-YADHBBJMSA-N 2 0 351.494 3.279 20 0 FGADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1 ZINC000468066781 501945294 /nfs/dbraw/zinc/94/52/94/501945294.db2.gz YDQXNELUVFBGOR-HDICACEKSA-N 2 0 370.541 3.030 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000468138101 501969199 /nfs/dbraw/zinc/96/91/99/501969199.db2.gz KAVUFYQIURBQIB-QGZVFWFLSA-N 2 0 352.482 3.241 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCC(=O)NCc1ccccc1 ZINC000482113102 501978563 /nfs/dbraw/zinc/97/85/63/501978563.db2.gz XISLZEMQYICMIK-DENIHFKCSA-N 2 0 365.521 3.193 20 0 FGADRP C[NH+](C)[C@H](CNC(=O)C[NH2+]C1(c2ccccc2)CCCC1)c1ccccc1 ZINC000475149404 502082492 /nfs/dbraw/zinc/08/24/92/502082492.db2.gz DMDWRHPSLSBWST-OAQYLSRUSA-N 2 0 365.521 3.465 20 0 FGADRP C[C@H]([NH2+]C1(CNC(=O)CC2CC[NH+](C)CC2)CCCC1)c1ccccc1 ZINC000486248108 502098727 /nfs/dbraw/zinc/09/87/27/502098727.db2.gz CFKPEDFKBMKWTR-SFHVURJKSA-N 2 0 357.542 3.498 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@H](C)c1cc2ccccc2o1 ZINC000482526062 502100215 /nfs/dbraw/zinc/10/02/15/502100215.db2.gz SMULXXFKAZXGSZ-IEBWSBKVSA-N 2 0 371.525 3.411 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCc2ccc(OC)c(F)c2)[C@@H](C)C1 ZINC000482531795 502102474 /nfs/dbraw/zinc/10/24/74/502102474.db2.gz JOYXJOAPJGPURF-LPHOPBHVSA-N 2 0 352.494 3.103 20 0 FGADRP NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+][C@@H]2CCc3c2ccc(Cl)c3Cl)C1 ZINC000482541855 502106490 /nfs/dbraw/zinc/10/64/90/502106490.db2.gz HHTAAFATVPADDF-MLGOLLRUSA-N 2 0 370.324 3.158 20 0 FGADRP C[C@H](C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1)[NH+]1CCCCCC1 ZINC000461445752 502116804 /nfs/dbraw/zinc/11/68/04/502116804.db2.gz FQHPGMZJXSCTET-HJNYFJLDSA-N 2 0 369.553 3.231 20 0 FGADRP [NH3+]C[C@H](Cc1ccccc1)[C@H]1CCCCN1C(=O)C[C@@H]([NH3+])c1ccccc1 ZINC000471791589 502138111 /nfs/dbraw/zinc/13/81/11/502138111.db2.gz WMKNAWCQAGTMSM-BHDDXSALSA-N 2 0 365.521 3.275 20 0 FGADRP C[C@@H](C[NH+]1CCCCCC1)NC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000482658310 502142669 /nfs/dbraw/zinc/14/26/69/502142669.db2.gz METJYFCIVYZBQV-IBGZPJMESA-N 2 0 372.557 3.346 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2C[NH2+][C@H]2CCN(C3CC3)C2=O)C1 ZINC000482680718 502150335 /nfs/dbraw/zinc/15/03/35/502150335.db2.gz ZXPWKSVFZDZZHL-FVJLSDCUSA-N 2 0 355.526 3.017 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2C[NH2+][C@@H]2CCN(C3CC3)C2=O)C1 ZINC000482680719 502150438 /nfs/dbraw/zinc/15/04/38/502150438.db2.gz ZXPWKSVFZDZZHL-LLGFUMIMSA-N 2 0 355.526 3.017 20 0 FGADRP CC(C)[C@H]1CN(C(=O)NC2CC[NH+]([C@H](C)c3ccccc3)CC2)CC[N@@H+]1C ZINC000486512528 502177171 /nfs/dbraw/zinc/17/71/71/502177171.db2.gz ADMREMYACLVTMX-WIYYLYMNSA-N 2 0 372.557 3.194 20 0 FGADRP CC(C)[C@@H]1CN(C(=O)NC2CC[NH+]([C@H](C)c3ccccc3)CC2)CC[N@@H+]1C ZINC000486512526 502177365 /nfs/dbraw/zinc/17/73/65/502177365.db2.gz ADMREMYACLVTMX-NQIIRXRSSA-N 2 0 372.557 3.194 20 0 FGADRP C[NH+](C)Cc1ccccc1C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000486543974 502185420 /nfs/dbraw/zinc/18/54/20/502185420.db2.gz IMGXKVPYHKVDBV-HXUWFJFHSA-N 2 0 351.494 3.143 20 0 FGADRP [NH3+]CCc1nc(C(=O)Nc2ccc(C[NH+]3CCCCCC3)cc2)cs1 ZINC000479203257 502191649 /nfs/dbraw/zinc/19/16/49/502191649.db2.gz VUJFGGWYSZTIAA-UHFFFAOYSA-N 2 0 358.511 3.273 20 0 FGADRP Cc1ccc([C@@H](CNC(=O)[C@@H](C[NH3+])c2ccc(F)cc2)[NH+]2CCCC2)cc1 ZINC000479205368 502192870 /nfs/dbraw/zinc/19/28/70/502192870.db2.gz LECKGYPFRVVAQW-LEWJYISDSA-N 2 0 369.484 3.130 20 0 FGADRP CC[NH+](CC)CCn1ccc2cc(NC(=O)C[N@H+](CC)C3CC3)ccc21 ZINC000486667022 502224948 /nfs/dbraw/zinc/22/49/48/502224948.db2.gz WAYHDHGZKMMNNP-UHFFFAOYSA-N 2 0 356.514 3.406 20 0 FGADRP CCN(CCC[NH+](CC)CC)C(=O)NC[C@@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000472093115 502228513 /nfs/dbraw/zinc/22/85/13/502228513.db2.gz GTRPXUJCHBNLSW-LJQANCHMSA-N 2 0 374.573 3.197 20 0 FGADRP CCCN(CC[NH+]1CCCCC1)C(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000479355792 502234475 /nfs/dbraw/zinc/23/44/75/502234475.db2.gz WVGGPAVNFRCDKX-SFHVURJKSA-N 2 0 366.575 3.258 20 0 FGADRP C[C@@H]1C[NH+](Cc2ccc(C[NH2+][C@@H]3CCCc4nn(C)cc43)cc2)C[C@@H](C)O1 ZINC000479360590 502235199 /nfs/dbraw/zinc/23/51/99/502235199.db2.gz METACXMOSHKCMT-CBGDNZLLSA-N 2 0 368.525 3.197 20 0 FGADRP CCN(CCC[NH+]1CCCC1)C(=O)NCCCC[N@@H+]1CCCC[C@H]1C ZINC000472112310 502235917 /nfs/dbraw/zinc/23/59/17/502235917.db2.gz GSOIZLXGKDQBAH-LJQANCHMSA-N 2 0 352.567 3.158 20 0 FGADRP C[C@H](CCCCN1C(=O)c2ccccc2C1=O)[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000472129379 502242402 /nfs/dbraw/zinc/24/24/02/502242402.db2.gz BCTCQVRABMIQLJ-SQNIBIBYSA-N 2 0 369.509 3.058 20 0 FGADRP COc1ccsc1[C@H](C)[NH2+]CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000472134415 502243411 /nfs/dbraw/zinc/24/34/11/502243411.db2.gz JYKIUCARFPMINJ-KRWDZBQOSA-N 2 0 359.539 3.225 20 0 FGADRP CC[NH+](CC)CCNC(=O)N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000479412568 502252178 /nfs/dbraw/zinc/25/21/78/502252178.db2.gz JAPJIKMFIMEGEC-SFHVURJKSA-N 2 0 352.567 3.014 20 0 FGADRP CC(C)OCC[C@H](O)C[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000472163675 502254052 /nfs/dbraw/zinc/25/40/52/502254052.db2.gz ULMUYWFDUCMEKR-FCHUYYIVSA-N 2 0 360.542 3.151 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](C)CCc1ccccc1 ZINC000465435655 502262266 /nfs/dbraw/zinc/26/22/66/502262266.db2.gz BPUOMAHUPFSBMW-FPOVZHCZSA-N 2 0 374.573 3.065 20 0 FGADRP CC(C)[N@@H+](C)C[C@H](C)NC(=O)N(C)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000462010636 502273338 /nfs/dbraw/zinc/27/33/38/502273338.db2.gz OTYOYQXVAYLALD-ICSRJNTNSA-N 2 0 360.546 3.021 20 0 FGADRP CC(C)[N@@H+](C)C[C@H](C)NC(=O)N(C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000462016569 502275940 /nfs/dbraw/zinc/27/59/40/502275940.db2.gz RKNIZDIFIGXRKI-ZVDOUQERSA-N 2 0 374.573 3.410 20 0 FGADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000465532772 502292445 /nfs/dbraw/zinc/29/24/45/502292445.db2.gz GYGLQQWNSGKHDT-VQTJNVASSA-N 2 0 372.557 3.167 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)NCc1ccccc1C[NH+]1CCC(C)CC1 ZINC000465566884 502309541 /nfs/dbraw/zinc/30/95/41/502309541.db2.gz GQVOHCUDIMCSFJ-OAQYLSRUSA-N 2 0 372.557 3.202 20 0 FGADRP CC(C)[N@@H+]1[C@@H]2CC[C@H]1CN(C(=O)NC[C@]1([NH+](C)C)CCC[C@H](C)C1)CC2 ZINC000465683793 502346020 /nfs/dbraw/zinc/34/60/20/502346020.db2.gz ABRXSLVJTFSQBZ-JTJHWIPRSA-N 2 0 364.578 3.154 20 0 FGADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H](C)c1cccc(NS(C)(=O)=O)c1 ZINC000479741386 502362380 /nfs/dbraw/zinc/36/23/80/502362380.db2.gz KMCBXSSJZWSTOA-JKSUJKDBSA-N 2 0 355.548 3.219 20 0 FGADRP CO[C@H](CC[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)C(F)(F)F ZINC000469321212 502375097 /nfs/dbraw/zinc/37/50/97/502375097.db2.gz HDHZWBJAEWDUNE-BSDSXHPESA-N 2 0 356.432 3.454 20 0 FGADRP CC[NH+](CC)C[C@H](C)NC(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000465767554 502377395 /nfs/dbraw/zinc/37/73/95/502377395.db2.gz CAQCOZPQEZPJCQ-XYJFISCASA-N 2 0 366.575 3.161 20 0 FGADRP CC[NH+](CC)C[C@H](C)NC(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000465767551 502377757 /nfs/dbraw/zinc/37/77/57/502377757.db2.gz CAQCOZPQEZPJCQ-BQFCYCMXSA-N 2 0 366.575 3.161 20 0 FGADRP C[C@H]1C[C@@H](NC(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)CC[N@@H+]1C ZINC000465769584 502378463 /nfs/dbraw/zinc/37/84/63/502378463.db2.gz HNXCNSCAESQKIH-RXVVDRJESA-N 2 0 372.557 3.345 20 0 FGADRP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N[C@H](C)C[NH+](CC)CC ZINC000465768593 502378522 /nfs/dbraw/zinc/37/85/22/502378522.db2.gz CQMQSEXHWLGAMI-CTNGQTDRSA-N 2 0 374.573 3.270 20 0 FGADRP C[C@@H]1C[C@@H](NC(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)CC[N@@H+]1C ZINC000465817614 502393834 /nfs/dbraw/zinc/39/38/34/502393834.db2.gz SZKRXQWEBLCJSP-NQIIRXRSSA-N 2 0 372.557 3.345 20 0 FGADRP CC(C)CC[NH+]1CCC(C[NH2+]Cc2c(Br)cnn2C)CC1 ZINC000487273090 502406459 /nfs/dbraw/zinc/40/64/59/502406459.db2.gz MRXLQIMREFWQRD-UHFFFAOYSA-N 2 0 357.340 3.030 20 0 FGADRP CCC[NH+]1CCC(NC(=O)N[C@H](C[N@H+](C)Cc2ccccc2)C(C)C)CC1 ZINC000469421105 502410508 /nfs/dbraw/zinc/41/05/08/502410508.db2.gz YLSBVKHNAGXPDB-OAQYLSRUSA-N 2 0 374.573 3.317 20 0 FGADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)NCCCC[NH+]2CCC(C)CC2)C[C@H]1C ZINC000483676108 502458725 /nfs/dbraw/zinc/45/87/25/502458725.db2.gz FFQIXFAWZZLQEK-RTBURBONSA-N 2 0 352.567 3.013 20 0 FGADRP C[C@H]1CCC[C@](CNC(=O)NC2CC[NH+](C3CCCC3)CC2)([NH+](C)C)C1 ZINC000483688152 502464166 /nfs/dbraw/zinc/46/41/66/502464166.db2.gz CQBRAPLSEJWFAC-UWJYYQICSA-N 2 0 364.578 3.203 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@H](C2CCCCC2)[NH+](C)C)C[C@@H]1C ZINC000483712172 502471949 /nfs/dbraw/zinc/47/19/49/502471949.db2.gz MFDRSXJFFRRHHC-YTQUADARSA-N 2 0 352.567 3.011 20 0 FGADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)NCC2([NH+](C)C)CCCCCC2)C[C@H]1C ZINC000483714548 502472035 /nfs/dbraw/zinc/47/20/35/502472035.db2.gz OQGRYDIHUPBFNQ-QZTJIDSGSA-N 2 0 352.567 3.155 20 0 FGADRP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000462534753 502478148 /nfs/dbraw/zinc/47/81/48/502478148.db2.gz MJCBMKMDAFAHFE-MOPGFXCFSA-N 2 0 352.567 3.013 20 0 FGADRP CCn1nc(C[NH+]2CCC(OCC[NH+](CC)CC)CC2)c2ccccc21 ZINC000473132553 502524289 /nfs/dbraw/zinc/52/42/89/502524289.db2.gz NFFFWZVXFWRTMW-UHFFFAOYSA-N 2 0 358.530 3.379 20 0 FGADRP O=C([C@H](c1ccccc1)[N@@H+]1CC[C@H](Oc2ccncc2)C1)N1CCCCC1 ZINC000469744171 502528546 /nfs/dbraw/zinc/52/85/46/502528546.db2.gz YVHHNOOYNLOPAT-SFTDATJTSA-N 2 0 365.477 3.289 20 0 FGADRP CC(C)N(CC[NH+](C)C)C(=O)NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000462740456 502554761 /nfs/dbraw/zinc/55/47/61/502554761.db2.gz BEVZWIKMWATZDC-OAQYLSRUSA-N 2 0 374.573 3.270 20 0 FGADRP CN(CC[NH+]1CCCC1)C(=O)NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000462748965 502557344 /nfs/dbraw/zinc/55/73/44/502557344.db2.gz GLKHVJHGBXRDES-NRFANRHFSA-N 2 0 372.557 3.026 20 0 FGADRP Cc1cc(Cl)cc(C)c1C[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000469865752 502574746 /nfs/dbraw/zinc/57/47/46/502574746.db2.gz YZCIZYNBHKKHID-QFBILLFUSA-N 2 0 363.933 3.037 20 0 FGADRP [NH3+][C@@H]1CC[C@@H]2CN(Cc3ccc(OC(F)F)c(Br)c3)C[C@@H]12 ZINC000469872121 502577365 /nfs/dbraw/zinc/57/73/65/502577365.db2.gz NWXXWPRNBUYBHX-NQBHXWOUSA-N 2 0 361.230 3.220 20 0 FGADRP CC[C@H](C)[NH2+][C@@H](CNC(=O)NC[C@@H](C)C[NH+]1CCCCC1)c1ccco1 ZINC000484290292 502615289 /nfs/dbraw/zinc/61/52/89/502615289.db2.gz BZMSKMBEVUMGMB-SQNIBIBYSA-N 2 0 364.534 3.130 20 0 FGADRP c1[nH]c(CNCc2ccc(CN3CCOCC3)cc2)nc1-c1ccccc1 ZINC000484450483 502644912 /nfs/dbraw/zinc/64/49/12/502644912.db2.gz CEDLJWVJSMUIAL-UHFFFAOYSA-N 2 0 362.477 3.199 20 0 FGADRP C[N@H+](CCCNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1)Cc1ccccc1 ZINC000480805313 502676562 /nfs/dbraw/zinc/67/65/62/502676562.db2.gz XVFQUDDTBZMXHC-FQEVSTJZSA-N 2 0 357.542 3.279 20 0 FGADRP COC(=O)c1cc2c(o1)c(OC)ccc2C[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC000480906624 502702477 /nfs/dbraw/zinc/70/24/77/502702477.db2.gz CWZSDKUEGSVHOU-UHFFFAOYSA-N 2 0 374.481 3.440 20 0 FGADRP CC[NH+]1CCN(Cc2ccc(C[NH2+][C@@H]3CS[C@H](C(C)C)C3)cc2)CC1 ZINC000488418888 502709107 /nfs/dbraw/zinc/70/91/07/502709107.db2.gz TUVJPVPKVPBHRZ-SFTDATJTSA-N 2 0 361.599 3.444 20 0 FGADRP CC[NH+]1CCN(Cc2ccccc2C[NH2+][C@H]2CS[C@H](C(C)C)C2)CC1 ZINC000488416304 502709659 /nfs/dbraw/zinc/70/96/59/502709659.db2.gz QKOYXIYKLNJIOH-RTWAWAEBSA-N 2 0 361.599 3.444 20 0 FGADRP Cc1nc2ccccc2n1CCCCC[N@@H+]1CCO[C@@]2(CCO[C@@H]2C)C1 ZINC000463210965 502720126 /nfs/dbraw/zinc/72/01/26/502720126.db2.gz OQMDYGHVFYIERG-UTKZUKDTSA-N 2 0 357.498 3.395 20 0 FGADRP CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)N(C)[C@H]1CC[NH+](C2CC2)C1 ZINC000470276378 502722699 /nfs/dbraw/zinc/72/26/99/502722699.db2.gz GCKSRGFVMPHTTP-LEWJYISDSA-N 2 0 372.557 3.021 20 0 FGADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)NCCC[NH2+]C1CCCCC1 ZINC000463271121 502742631 /nfs/dbraw/zinc/74/26/31/502742631.db2.gz IOCFWVRHQKWTMA-GHTZIAJQSA-N 2 0 372.557 3.119 20 0 FGADRP CC1CC[NH+](CCCCNC(=O)NCc2ccc(CC[NH+](C)C)cc2)CC1 ZINC000466974695 502742997 /nfs/dbraw/zinc/74/29/97/502742997.db2.gz ALUBJCBTALNOFK-UHFFFAOYSA-N 2 0 374.573 3.102 20 0 FGADRP CCCC[N@H+](C)CCNC(=O)N[C@H]1[C@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000473959353 502763290 /nfs/dbraw/zinc/76/32/90/502763290.db2.gz XOYGZWXXXIRTAH-KXTWHKPSSA-N 2 0 374.573 3.174 20 0 FGADRP Cc1ccccc1C[NH+]1CCC(NC(=O)C[NH2+][C@@H]2CC[C@@H](C)C[C@H]2C)CC1 ZINC000481180068 502775233 /nfs/dbraw/zinc/77/52/33/502775233.db2.gz LDGHFWAHECAAQZ-SFGWALBWSA-N 2 0 371.569 3.490 20 0 FGADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)NCC[NH+]2CC=CCC2)cc1 ZINC000474007206 502778593 /nfs/dbraw/zinc/77/85/93/502778593.db2.gz DASFMJZCUIVLHW-IBGZPJMESA-N 2 0 370.541 3.122 20 0 FGADRP CC(C)C[C@H](C)N(C)C(=O)CN[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000481194365 502779538 /nfs/dbraw/zinc/77/95/38/502779538.db2.gz WFNJMXNSJRTBCD-ZJOUEHCJSA-N 2 0 359.558 3.380 20 0 FGADRP CC(C)[NH+](CCCNC(=O)NC[C@H](C1CCCCC1)[NH+](C)C)C(C)C ZINC000470504532 502798344 /nfs/dbraw/zinc/79/83/44/502798344.db2.gz XEQAEACMMXOSLK-LJQANCHMSA-N 2 0 354.583 3.305 20 0 FGADRP CCC[C@@H]([NH2+]CCN1CC[NH+](Cc2ccccc2)CC1)c1ccccn1 ZINC000500632798 502830174 /nfs/dbraw/zinc/83/01/74/502830174.db2.gz JONGGXINFIUVIG-OAQYLSRUSA-N 2 0 352.526 3.330 20 0 FGADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000500832601 502873032 /nfs/dbraw/zinc/87/30/32/502873032.db2.gz GTKAJOUKFBJQIR-OAQYLSRUSA-N 2 0 372.557 3.346 20 0 FGADRP CC(C)[N@@H+]1CCCN(Cc2ccccc2N(C)C2CC[NH+](C)CC2)CC1 ZINC000505267246 502879731 /nfs/dbraw/zinc/87/97/31/502879731.db2.gz UCIUNHYFMUAXDR-UHFFFAOYSA-N 2 0 358.574 3.133 20 0 FGADRP C[N@@H+](CC(=O)NCCC1=CCCCC1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501027239 502915247 /nfs/dbraw/zinc/91/52/47/502915247.db2.gz UXOYJRCEXPZFFN-UHFFFAOYSA-N 2 0 370.541 3.237 20 0 FGADRP C[N@@H+](CC(=O)Nc1c(F)cccc1F)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501028968 502916123 /nfs/dbraw/zinc/91/61/23/502916123.db2.gz OVVCENWOPXTXDE-UHFFFAOYSA-N 2 0 374.435 3.147 20 0 FGADRP C[C@H](c1ccccc1Br)[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000501039295 502919221 /nfs/dbraw/zinc/91/92/21/502919221.db2.gz VWMHAXQYFMPKQX-OAHLLOKOSA-N 2 0 354.336 3.079 20 0 FGADRP CC(C)CN(CC(C)C)C(=O)C[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501051193 502923373 /nfs/dbraw/zinc/92/33/73/502923373.db2.gz GTTNWWNMTODJAH-UHFFFAOYSA-N 2 0 374.573 3.370 20 0 FGADRP CC(C)[C@H](CNC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)[NH+]1CCC(C)CC1 ZINC000501161298 502951812 /nfs/dbraw/zinc/95/18/12/502951812.db2.gz DRCHJCYKMMHPPH-SFHVURJKSA-N 2 0 366.594 3.351 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N1CCC(C[NH+](C)C)CC1)c1ccsc1 ZINC000501166722 502952985 /nfs/dbraw/zinc/95/29/85/502952985.db2.gz UCGNDTFVEAHPFJ-GOSISDBHSA-N 2 0 366.575 3.114 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12)c1ccsc1 ZINC000501178287 502953949 /nfs/dbraw/zinc/95/39/49/502953949.db2.gz YGQPJXCQRUFMMD-RCCFBDPRSA-N 2 0 364.559 3.057 20 0 FGADRP CNC(=O)c1ccc(C[NH2+]CC[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)cc1 ZINC000513510940 502956074 /nfs/dbraw/zinc/95/60/74/502956074.db2.gz GRGNBZWIXGDAPU-RXVVDRJESA-N 2 0 365.521 3.437 20 0 FGADRP C[N@@H+]1CC[C@H]([NH2+]Cc2cc(Cl)c3c(c2)OCCCO3)[C@H]2CCC[C@@H]21 ZINC000513667335 502995403 /nfs/dbraw/zinc/99/54/03/502995403.db2.gz QNILEKZDSYCMRV-PVAVHDDUSA-N 2 0 350.890 3.464 20 0 FGADRP C[N@@H+](Cc1ccccc1)CC1CC[NH+](CCC(=O)N2CCCCC2)CC1 ZINC000489634244 503001945 /nfs/dbraw/zinc/00/19/45/503001945.db2.gz MQLDZXGWNMXQHN-UHFFFAOYSA-N 2 0 357.542 3.233 20 0 FGADRP COC(=O)c1ccc(C[NH+]2CCC(C[N@H+](C)Cc3ccccc3)CC2)o1 ZINC000489676074 503008757 /nfs/dbraw/zinc/00/87/57/503008757.db2.gz HCSPQDYSFDUECD-UHFFFAOYSA-N 2 0 356.466 3.410 20 0 FGADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)NC[C@H](c2ccsc2)[NH+](C)C)C1 ZINC000501504649 503023574 /nfs/dbraw/zinc/02/35/74/503023574.db2.gz RYPMLHLEPKZBOC-SJLPKXTDSA-N 2 0 366.575 3.162 20 0 FGADRP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)NCc2ccccc2C[NH+]2CCCCC2)C1 ZINC000489793880 503036401 /nfs/dbraw/zinc/03/64/01/503036401.db2.gz CZEUWPPADNZYOU-LEWJYISDSA-N 2 0 372.557 3.345 20 0 FGADRP c1cnc2sc(C[NH+]3CCC(CCC[NH+]4CCOCC4)CC3)nc2c1 ZINC000506050852 503036733 /nfs/dbraw/zinc/03/67/33/503036733.db2.gz FWUDUZBZOFPTRG-UHFFFAOYSA-N 2 0 360.527 3.016 20 0 FGADRP CC[NH+](CC)CCCNC(=O)NC[C@@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC000513899898 503044641 /nfs/dbraw/zinc/04/46/41/503044641.db2.gz MFQKKKYGXTWWMS-FQEVSTJZSA-N 2 0 360.546 3.163 20 0 FGADRP CC[NH+](CC)Cc1ccccc1CNC(=O)N[C@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000514023287 503070489 /nfs/dbraw/zinc/07/04/89/503070489.db2.gz VZGWIOXEYAVFQJ-RBUKOAKNSA-N 2 0 374.573 3.448 20 0 FGADRP C[NH+](CCNC(=O)NCCC[N@@H+](C)Cc1ccccc1)C1CCCCC1 ZINC000514025633 503071013 /nfs/dbraw/zinc/07/10/13/503071013.db2.gz YDYDMPYURTXIJV-UHFFFAOYSA-N 2 0 360.546 3.072 20 0 FGADRP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCCCC[NH+]2CCCC[C@@H]2C)C1 ZINC000514126706 503094717 /nfs/dbraw/zinc/09/47/17/503094717.db2.gz LHSXEFYMXUAECS-OALUTQOASA-N 2 0 366.594 3.451 20 0 FGADRP C[C@H](C(=O)N(C)CC1CCN(c2cc[nH+]cc2)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000501863442 503096827 /nfs/dbraw/zinc/09/68/27/503096827.db2.gz PPGSNPWODNXXJJ-KZNAEPCWSA-N 2 0 358.530 3.018 20 0 FGADRP Cn1c(=O)oc2cc(C[NH2+]CC3CC[NH+](Cc4cccs4)CC3)ccc21 ZINC000510369208 503100909 /nfs/dbraw/zinc/10/09/09/503100909.db2.gz LCMMFRLEOSLGAI-UHFFFAOYSA-N 2 0 371.506 3.195 20 0 FGADRP CC[NH+](C)[C@@H](C(=O)NCc1cccc(C[N@@H+](C)CC)c1)c1ccccc1 ZINC000490107373 503110535 /nfs/dbraw/zinc/11/05/35/503110535.db2.gz RSFPQVKEEDGVOJ-OAQYLSRUSA-N 2 0 353.510 3.448 20 0 FGADRP Cc1ccc([C@H](CNC(=O)NCC[N@H+]2CCC[C@H](C)C2)[NH+]2CCCC2)cc1 ZINC000514221440 503116923 /nfs/dbraw/zinc/11/69/23/503116923.db2.gz HTZHGIOVNRYSNF-FPOVZHCZSA-N 2 0 372.557 3.163 20 0 FGADRP CCCC[NH+]1CCC(NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)CC1 ZINC000490167191 503121309 /nfs/dbraw/zinc/12/13/09/503121309.db2.gz GWVCZDAJVUUSNC-GHTZIAJQSA-N 2 0 372.557 3.213 20 0 FGADRP CC[N@@H+]1C[C@H](C)N(C(=O)N[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C)C[C@H]1C ZINC000498264019 503146200 /nfs/dbraw/zinc/14/62/00/503146200.db2.gz GMHNDNJTJIDJRB-YOUFYPILSA-N 2 0 372.557 3.021 20 0 FGADRP C[C@H](C[NH+]1CCCCCC1)NC(=O)N[C@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC000502148795 503150265 /nfs/dbraw/zinc/15/02/65/503150265.db2.gz YCWHUTMIOJYENM-QWFCFKBJSA-N 2 0 360.546 3.242 20 0 FGADRP Cc1cc(OCCC[C@H](C)[NH2+]C[C@@H](O)C[NH+]2CCCC2)ccc1Cl ZINC000510724389 503179246 /nfs/dbraw/zinc/17/92/46/503179246.db2.gz XMDVRRMQCKAZGS-DLBZAZTESA-N 2 0 354.922 3.242 20 0 FGADRP C[C@H](CCc1c(F)cccc1F)[NH2+]CC1CC[NH+](CCN(C)C)CC1 ZINC000510735733 503181581 /nfs/dbraw/zinc/18/15/81/503181581.db2.gz OVDRXRQKSNOEJH-MRXNPFEDSA-N 2 0 353.501 3.149 20 0 FGADRP O=C(NCC[NH+]1CCCC1)c1ccc(C[NH2+][C@@H]2CC[C@H]2C2CCC2)cc1 ZINC000510735375 503181999 /nfs/dbraw/zinc/18/19/99/503181999.db2.gz OEHMAPHPMDFNRA-LEWJYISDSA-N 2 0 355.526 3.181 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)c1cccc(C[NH+](C)C)c1)Cc1ccccc1 ZINC000498555988 503210299 /nfs/dbraw/zinc/21/02/99/503210299.db2.gz DDDOCPFGBDKJIH-QFIPXVFZSA-N 2 0 367.537 3.431 20 0 FGADRP O[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]CCc2ccc(F)cc2Cl)CC1 ZINC000514976468 503240061 /nfs/dbraw/zinc/24/00/61/503240061.db2.gz BRXRQRMNUNXIMW-RBUKOAKNSA-N 2 0 354.897 3.379 20 0 FGADRP COCC[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000502721223 503258011 /nfs/dbraw/zinc/25/80/11/503258011.db2.gz FKTAHFSBSRZVHD-ZWOKBUDYSA-N 2 0 363.521 3.433 20 0 FGADRP Cc1ccc(C)c(OCCC[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)c1 ZINC000491021623 503261992 /nfs/dbraw/zinc/26/19/92/503261992.db2.gz QHSNKGZXJKKFHN-NHCUHLMSSA-N 2 0 359.558 3.030 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCc2cc(F)c(F)c(F)c2)[C@@H](C)C1 ZINC000507443274 503300117 /nfs/dbraw/zinc/30/01/17/503300117.db2.gz QPNTZFFLEZUTDI-KSSFIOAISA-N 2 0 358.448 3.373 20 0 FGADRP CC[C@H](C)[NH2+][C@@H](CNC(=O)NC[C@H]1CCCC[N@@H+]1C1CC1)c1ccco1 ZINC000502899929 503303149 /nfs/dbraw/zinc/30/31/49/503303149.db2.gz QESVJINPIRAVCA-JQHSSLGASA-N 2 0 362.518 3.025 20 0 FGADRP C[C@H](c1nc(-c2ccccc2)no1)[NH+]1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000515342890 503318724 /nfs/dbraw/zinc/31/87/24/503318724.db2.gz KLRKLCCCYXBSSS-OLMNPRSZSA-N 2 0 356.470 3.016 20 0 FGADRP CC(C)[NH+]1CCC(O)(C[NH2+]C[C@H](C)c2cccc(Br)c2)CC1 ZINC000503014396 503324907 /nfs/dbraw/zinc/32/49/07/503324907.db2.gz GYZFLFOUDZRDMH-HNNXBMFYSA-N 2 0 369.347 3.378 20 0 FGADRP Cc1ccccc1[C@H]([C@H](C)NC(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1)[NH+](C)C ZINC000499093781 503332440 /nfs/dbraw/zinc/33/24/40/503332440.db2.gz MFNGLCRGLXBRIM-XFKSJGNHSA-N 2 0 360.546 3.158 20 0 FGADRP CCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@H]1CC[NH+](Cc2ccccc2)C[C@H]1C ZINC000499108874 503336557 /nfs/dbraw/zinc/33/65/57/503336557.db2.gz CRNINFCCNASHLI-GIVPXCGWSA-N 2 0 372.557 3.071 20 0 FGADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N[C@@H]1CC[NH+]([C@H](C)c2ccccc2)C1 ZINC000503093943 503345543 /nfs/dbraw/zinc/34/55/43/503345543.db2.gz ZSDJFZLYXKNKOR-HMXCVIKNSA-N 2 0 372.557 3.386 20 0 FGADRP O=C(CC1CCCC1)NCC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000499160190 503346266 /nfs/dbraw/zinc/34/62/66/503346266.db2.gz IBPVZYOGMUGPFG-KOUNCHBCSA-N 2 0 369.553 3.468 20 0 FGADRP COc1ccc2c(c1F)CC[C@H]2[NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000515476801 503346439 /nfs/dbraw/zinc/34/64/39/503346439.db2.gz TZZLVXUTJARGJK-RVKKMQEKSA-N 2 0 350.478 3.301 20 0 FGADRP C[C@H]1COCCN1C1CC[NH+](CCc2cccc(OC(F)(F)F)c2)CC1 ZINC000515495595 503351055 /nfs/dbraw/zinc/35/10/55/503351055.db2.gz HXBANTLDIPFNLJ-HNNXBMFYSA-N 2 0 372.431 3.313 20 0 FGADRP CC(C)[NH+](CCN(C)C(=O)NC1CC[NH+](CC2CCCC2)CC1)C(C)C ZINC000503188435 503363423 /nfs/dbraw/zinc/36/34/23/503363423.db2.gz ANINTJVXCIJHPC-UHFFFAOYSA-N 2 0 366.594 3.401 20 0 FGADRP Cc1ccccc1[C@H]([C@H](C)NC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)[NH+](C)C ZINC000499312229 503378660 /nfs/dbraw/zinc/37/86/60/503378660.db2.gz KFMSICABEJWWRG-LNLFQRSKSA-N 2 0 362.562 3.262 20 0 FGADRP COc1ccc(OCC[N@@H+]2CCC[C@H](c3ncc4n3CCCC4)C2)cc1 ZINC000503439867 503409427 /nfs/dbraw/zinc/40/94/27/503409427.db2.gz LSKWKYNWXAVWQR-KRWDZBQOSA-N 2 0 355.482 3.486 20 0 FGADRP CCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000511924544 503416575 /nfs/dbraw/zinc/41/65/75/503416575.db2.gz VZIWYUZFYDMIFS-ZWKOTPCHSA-N 2 0 366.937 3.116 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccc(C(F)(F)F)cc1 ZINC000499506635 503421422 /nfs/dbraw/zinc/42/14/22/503421422.db2.gz GMDATQMMEIMEHP-KRWDZBQOSA-N 2 0 371.447 3.194 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc(Cl)cc(Cl)c1 ZINC000499508683 503422167 /nfs/dbraw/zinc/42/21/67/503422167.db2.gz OFCPJJFDVONSRS-QGZVFWFLSA-N 2 0 372.340 3.482 20 0 FGADRP CC(C)[NH+](CCNC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1)C(C)C ZINC000503496452 503422265 /nfs/dbraw/zinc/42/22/65/503422265.db2.gz ABVAVSCAKBOHMT-HXUWFJFHSA-N 2 0 366.594 3.403 20 0 FGADRP OC[C@@H]1CCN(Cc2ccccc2)C[C@H]1[NH2+]C/C=C/c1ccc(F)c(F)c1 ZINC000512054399 503445027 /nfs/dbraw/zinc/44/50/27/503445027.db2.gz UNCABXWCMQRWSS-ANFMQWFKSA-N 2 0 372.459 3.451 20 0 FGADRP CC1CC[NH+](C2CCC([NH2+]Cc3ncc(CN(C)C)s3)CC2)CC1 ZINC000512054010 503445133 /nfs/dbraw/zinc/44/51/33/503445133.db2.gz UIYMJBOIGFYPIT-UHFFFAOYSA-N 3 0 350.576 3.337 20 0 FGADRP C[N@@H+](Cc1ccccc1)CC1CC[NH+](Cc2cnn(CC(F)F)c2)CC1 ZINC000508179760 503446654 /nfs/dbraw/zinc/44/66/54/503446654.db2.gz JUTLZRLHGHVINB-UHFFFAOYSA-N 2 0 362.468 3.492 20 0 FGADRP C[C@H]([NH2+]C1(CNC(=O)N2CCC[C@@H]([NH+](C)C)C2)CCCC1)c1ccccc1 ZINC000503699092 503462032 /nfs/dbraw/zinc/46/20/32/503462032.db2.gz KFIYGJCMMCJXGT-AZUAARDMSA-N 2 0 372.557 3.386 20 0 FGADRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000516181241 503464256 /nfs/dbraw/zinc/46/42/56/503464256.db2.gz AVKCBLNCEUOHLO-IEBWSBKVSA-N 2 0 360.546 3.099 20 0 FGADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N(C)CC[NH+](C(C)C)C(C)C)C1 ZINC000508265071 503464738 /nfs/dbraw/zinc/46/47/38/503464738.db2.gz ITVALWRNECMGRW-LJQANCHMSA-N 2 0 354.583 3.115 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)[C@H](C)CN1C(=O)NCCC1CC[NH+](C)CC1 ZINC000499797370 503484770 /nfs/dbraw/zinc/48/47/70/503484770.db2.gz OEBPTBHJGXHKHK-RTBURBONSA-N 2 0 372.557 3.023 20 0 FGADRP C[C@H]1CCN(C(=O)CC[C@@H]2CCCC[NH+]2C)CC[N@@H+]1Cc1ccccc1 ZINC000499887293 503502649 /nfs/dbraw/zinc/50/26/49/503502649.db2.gz LFIYLLMHEZDQIM-FPOVZHCZSA-N 2 0 357.542 3.374 20 0 FGADRP CC[NH+](CC)CCOc1ccccc1NC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000503993567 503507198 /nfs/dbraw/zinc/50/71/98/503507198.db2.gz PKFBWOKBGCKWDM-MJGOQNOKSA-N 2 0 374.529 3.156 20 0 FGADRP C[C@@H](Cc1ccc(O)cc1)[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000512350697 503526959 /nfs/dbraw/zinc/52/69/59/503526959.db2.gz TWDKOJWAIWDZAQ-UWJYYQICSA-N 2 0 354.494 3.070 20 0 FGADRP C[C@@H]1CCC[C@](CNC(=O)NC[C@H](c2ccccc2)[NH+](C)C)([NH+](C)C)C1 ZINC000516559056 503536036 /nfs/dbraw/zinc/53/60/36/503536036.db2.gz RLCPMDLDMXRPQX-QFUCXCTJSA-N 2 0 360.546 3.099 20 0 FGADRP CC[N@@H+]1CCCN(C(=O)NCC[C@@H]2C[C@H](C)[NH+](Cc3ccccc3)C2)CC1 ZINC000512423677 503545746 /nfs/dbraw/zinc/54/57/46/503545746.db2.gz JBSHAEHWHNHCDT-PZJWPPBQSA-N 2 0 372.557 3.024 20 0 FGADRP C[C@@H]([NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000508699859 503546350 /nfs/dbraw/zinc/54/63/50/503546350.db2.gz SBFQBXURBNAMSH-ADYITMSISA-N 3 0 373.585 3.376 20 0 FGADRP Cc1nn(-c2ccccc2)cc1C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000512433308 503549091 /nfs/dbraw/zinc/54/90/91/503549091.db2.gz KWOBMEAAYGJYLQ-UHFFFAOYSA-N 2 0 368.525 3.115 20 0 FGADRP C[C@H](N[C@@H](CO)c1c(F)cccc1F)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508719165 503550124 /nfs/dbraw/zinc/55/01/24/503550124.db2.gz KMCJKGKTPFGLCV-VPWXQRGCSA-N 2 0 360.448 3.498 20 0 FGADRP COc1ccc([C@H]([NH2+]CCCC[NH+]2CCN(C)CC2)C(C)C)c(F)c1 ZINC000516642034 503558391 /nfs/dbraw/zinc/55/83/91/503558391.db2.gz HILQILGFIQRAMQ-HXUWFJFHSA-N 2 0 351.510 3.149 20 0 FGADRP CCC[C@H]1CN(C(=O)[C@H](C)Cc2c[nH]cn2)CC[N@@H+]1Cc1ccccc1 ZINC000516660812 503563441 /nfs/dbraw/zinc/56/34/41/503563441.db2.gz CLCALZWKSGZJJY-XLIONFOSSA-N 2 0 354.498 3.101 20 0 FGADRP Cc1ccccc1[C@@H]([C@H](C)NC(=O)N(C)CC1([NH+](C)C)CCC1)[NH+](C)C ZINC000508842186 503574882 /nfs/dbraw/zinc/57/48/82/503574882.db2.gz BLCRKSJWDAHLIT-PKOBYXMFSA-N 2 0 360.546 3.112 20 0 FGADRP O=C(CC[C@H]1CCC[NH2+]1)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000494638106 503580181 /nfs/dbraw/zinc/58/01/81/503580181.db2.gz OXUWGTUJRGNDSM-IFMALSPDSA-N 2 0 355.526 3.033 20 0 FGADRP C[C@@H](NC(=O)N1CCC[N@@H+](C2CCCC2)CC1)[C@@H](c1ccccc1)[NH+](C)C ZINC000508872394 503584446 /nfs/dbraw/zinc/58/44/46/503584446.db2.gz RQQGDYGBVRVAKA-NQIIRXRSSA-N 2 0 372.557 3.338 20 0 FGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+][C@H]2CN(C3CC3)C[C@H]2C)CC1 ZINC000494668152 503588330 /nfs/dbraw/zinc/58/83/30/503588330.db2.gz WBCLBFWPNQRJDG-WWMYMODYSA-N 2 0 374.548 3.101 20 0 FGADRP COc1cc(C[NH+]2CCC(C[NH+](C)C)CC2)cc(OC)c1OCC(F)F ZINC000516815164 503592055 /nfs/dbraw/zinc/59/20/55/503592055.db2.gz VGDFNRQJDPIPIZ-UHFFFAOYSA-N 2 0 372.456 3.121 20 0 FGADRP Fc1cccnc1OCC[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000512667856 503608143 /nfs/dbraw/zinc/60/81/43/503608143.db2.gz RJCMBVPKVKZKLG-QKNQBKEWSA-N 2 0 369.484 3.490 20 0 FGADRP CC[C@@H]1CN(C(=O)CC[C@H]2CCCC[NH+]2C)CC[N@@H+]1Cc1ccccc1 ZINC000504805867 503617621 /nfs/dbraw/zinc/61/76/21/503617621.db2.gz WYTILIKLSLACBI-NHCUHLMSSA-N 2 0 357.542 3.374 20 0 FGADRP CCOc1cc(C[NH2+]CC2CC[NH+](CC)CC2)cc(Br)c1O ZINC000516955724 503630209 /nfs/dbraw/zinc/63/02/09/503630209.db2.gz MSGAZLYOEOHHDV-UHFFFAOYSA-N 2 0 371.319 3.375 20 0 FGADRP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(C[NH2+][C@@H]3CCC(=O)NC3(C)C)cc2)C1 ZINC000494890986 503630733 /nfs/dbraw/zinc/63/07/33/503630733.db2.gz OREUHRRJHIGNQN-MBOZVWFJSA-N 2 0 357.542 3.311 20 0 FGADRP C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)N2CC[NH+](C)CC2(C)C)c1 ZINC000500508821 503639372 /nfs/dbraw/zinc/63/93/72/503639372.db2.gz AOTJRDLFBUZBBG-UHFFFAOYSA-N 2 0 365.521 3.485 20 0 FGADRP C[C@@H](NC(=O)NCC1([NH3+])CCCCCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000517019812 503645638 /nfs/dbraw/zinc/64/56/38/503645638.db2.gz PRWJFNZIZCPXBC-QUCCMNQESA-N 2 0 372.557 3.248 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1cccc(F)c1Cl ZINC000494988297 503645896 /nfs/dbraw/zinc/64/58/96/503645896.db2.gz NNNGOYLSCFMTNA-AWEZNQCLSA-N 2 0 370.900 3.359 20 0 FGADRP COc1ccsc1C[N@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000536666716 503668682 /nfs/dbraw/zinc/66/86/82/503668682.db2.gz SKDHAMICRMMQIA-UHFFFAOYSA-N 2 0 365.587 3.385 20 0 FGADRP O=C(NC[C@@H]1CC[N@@H+]1C1CCCCC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000529719657 503679146 /nfs/dbraw/zinc/67/91/46/503679146.db2.gz NWELTCUUFSGFAQ-QFIPXVFZSA-N 2 0 369.553 3.422 20 0 FGADRP C[C@H]([NH2+]CCCC[NH+]1CCN(C)CC1)c1csc(-c2ccccc2)n1 ZINC000517223015 503682092 /nfs/dbraw/zinc/68/20/92/503682092.db2.gz WAYGROMXWGRLCT-KRWDZBQOSA-N 2 0 358.555 3.488 20 0 FGADRP Cc1nc2ccccc2n1C1CCN(C(=O)NC[C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000517225731 503683792 /nfs/dbraw/zinc/68/37/92/503683792.db2.gz HIXZTFLKMFUBNT-IAGOWNOFSA-N 2 0 369.513 3.209 20 0 FGADRP C[NH+](C)CCc1ccccc1NC(=O)[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000527113995 503685330 /nfs/dbraw/zinc/68/53/30/503685330.db2.gz XIRJQMOOSLFONW-FQEVSTJZSA-N 2 0 366.509 3.036 20 0 FGADRP C[C@H]([NH2+][C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)c1cc2ccccc2s1 ZINC000517230058 503686396 /nfs/dbraw/zinc/68/63/96/503686396.db2.gz TWASBPCMMFJOOK-OWZDWXTDSA-N 2 0 357.523 3.199 20 0 FGADRP C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000517420380 503741424 /nfs/dbraw/zinc/74/14/24/503741424.db2.gz LWBBNWFOGZHWPM-OALUTQOASA-N 2 0 372.557 3.345 20 0 FGADRP CC(C)C[NH+]1CCC(NC(=O)NC(C)(C)C[N@H+](C)Cc2ccccc2)CC1 ZINC000533159286 503744974 /nfs/dbraw/zinc/74/49/74/503744974.db2.gz SEEGWQXCEBRQJI-UHFFFAOYSA-N 2 0 374.573 3.317 20 0 FGADRP C[C@@H]1C[NH+](CC2CC[NH+](Cc3cc(-n4ccnc4)cs3)CC2)C[C@@H](C)O1 ZINC000543394339 503751225 /nfs/dbraw/zinc/75/12/25/503751225.db2.gz IRXQUERYJMJXMB-IAGOWNOFSA-N 2 0 374.554 3.255 20 0 FGADRP Cc1cc(N2CCC([NH2+]Cc3ccnn3C3CCCC3)CC2)nc(C)n1 ZINC000517500940 503758407 /nfs/dbraw/zinc/75/84/07/503758407.db2.gz OXDWRGULVJKNAP-UHFFFAOYSA-N 2 0 354.502 3.164 20 0 FGADRP CC1CC[NH+]([C@@H](CNC(=O)NCCC[NH+]2CCCC2)c2ccccc2)CC1 ZINC000517512883 503760656 /nfs/dbraw/zinc/76/06/56/503760656.db2.gz DQCALXUQARXXKG-NRFANRHFSA-N 2 0 372.557 3.245 20 0 FGADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CCc1c[nH]c2ccc(Br)cc12 ZINC000543415816 503761156 /nfs/dbraw/zinc/76/11/56/503761156.db2.gz CINLHPUZXTXTJT-MLGOLLRUSA-N 2 0 350.304 3.403 20 0 FGADRP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC[C@H](c2cccs2)[NH+](C)C)C1 ZINC000517593266 503781137 /nfs/dbraw/zinc/78/11/37/503781137.db2.gz MEQMOPRQXGKARL-JKSUJKDBSA-N 2 0 366.575 3.161 20 0 FGADRP Cc1ccc([C@H](CNC(=O)NCC[N@H+]2CC=C(C)CC2)[NH+]2CCCC2)cc1 ZINC000546566084 503790853 /nfs/dbraw/zinc/79/08/53/503790853.db2.gz JXIUJSMGACBKAE-NRFANRHFSA-N 2 0 370.541 3.083 20 0 FGADRP CCC1(C[NH2+][C@H](C)CS(=O)(=O)CC)CC[NH+](Cc2ccccc2)CC1 ZINC000537093199 503800080 /nfs/dbraw/zinc/80/00/80/503800080.db2.gz BKXCATYQMAHTOM-GOSISDBHSA-N 2 0 366.571 3.092 20 0 FGADRP C[NH+](C)C[C@H](NC(=O)C1CC[NH+](C)CC1)c1ccc(Cl)c(Cl)c1 ZINC000530031205 503804454 /nfs/dbraw/zinc/80/44/54/503804454.db2.gz CDGUUVFIDUJEQI-INIZCTEOSA-N 2 0 358.313 3.054 20 0 FGADRP C[C@H]1CC([NH2+]Cc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)C[C@H](C)C1 ZINC000533361032 503817562 /nfs/dbraw/zinc/81/75/62/503817562.db2.gz SVSCVLLPPCTHOU-QZTJIDSGSA-N 2 0 357.542 3.427 20 0 FGADRP Cc1ccc(OC[C@H](O)C[NH2+]C2CC[NH+](C3CCCCC3)CC2)c(C)c1 ZINC000517732423 503819628 /nfs/dbraw/zinc/81/96/28/503819628.db2.gz GDDBLGDUUHULEN-OAQYLSRUSA-N 2 0 360.542 3.430 20 0 FGADRP C[C@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+]CC1=CC[N@H+](C)CC1 ZINC000540607479 503832785 /nfs/dbraw/zinc/83/27/85/503832785.db2.gz UARUFJSFMHAACC-CYBMUJFWSA-N 2 0 355.404 3.274 20 0 FGADRP CC[NH+](CC)CCOCC[NH2+][C@H](C)c1nc2ccc(Cl)cc2n1C ZINC000543636954 503836474 /nfs/dbraw/zinc/83/64/74/503836474.db2.gz MGBKKNGIDLACIP-CQSZACIVSA-N 2 0 352.910 3.236 20 0 FGADRP CCC[N@@H+](CC(=O)N1CCC[NH+](Cc2ccc(C)cc2)CC1)CC1CC1 ZINC000537259391 503861038 /nfs/dbraw/zinc/86/10/38/503861038.db2.gz MFSVPDXPIPZPGH-UHFFFAOYSA-N 2 0 357.542 3.151 20 0 FGADRP CC(C)[C@H]1C[C@H]([NH2+]CCCC[NH+]2CCN(Cc3ccccc3)CC2)CCO1 ZINC000540707151 503863189 /nfs/dbraw/zinc/86/31/89/503863189.db2.gz PZUARTGCGUFUCL-DHIUTWEWSA-N 2 0 373.585 3.378 20 0 FGADRP COc1cc(OC)c(C2CC[NH+]([C@@H](C)[C@H]3CCC[NH2+]C3)CC2)c(OC)c1 ZINC000530207855 503876352 /nfs/dbraw/zinc/87/63/52/503876352.db2.gz DTRHPNWMOFLJBH-RDJZCZTQSA-N 2 0 362.514 3.280 20 0 FGADRP COC(=O)c1cc2c(o1)c(OC)ccc2C[NH2+]C1CCC(C[NH+](C)C)CC1 ZINC000533528950 503877269 /nfs/dbraw/zinc/87/72/69/503877269.db2.gz CGIJWMWTVQTOJQ-UHFFFAOYSA-N 2 0 374.481 3.438 20 0 FGADRP NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+][C@@H]2CCC[C@H](c3ccccc3)CC2)C1 ZINC000527654868 503878095 /nfs/dbraw/zinc/87/80/95/503878095.db2.gz UTMYHLIPZQNSDS-PWRODBHTSA-N 2 0 357.542 3.280 20 0 FGADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)N[C@@H]2CC[NH+](C3CCCC3)C2)C1 ZINC000518023371 503892036 /nfs/dbraw/zinc/89/20/36/503892036.db2.gz NXLKMHWKHFNJRP-YZGWKJHDSA-N 2 0 370.541 3.138 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)C1 ZINC000518067822 503902157 /nfs/dbraw/zinc/90/21/57/503902157.db2.gz DKWYBOLPCCIGFN-CEXWTWQISA-N 2 0 364.578 3.013 20 0 FGADRP CC[N@H+](CCC1CC1)CC(=O)N1CCC[NH+](Cc2ccccc2C)CC1 ZINC000546931746 503931470 /nfs/dbraw/zinc/93/14/70/503931470.db2.gz AMMAMEQYPJPKGB-UHFFFAOYSA-N 2 0 357.542 3.151 20 0 FGADRP c1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH2+]CCOC[C@H]4CCCO4)[C@H]3C2)cc1 ZINC000540976269 503961543 /nfs/dbraw/zinc/96/15/43/503961543.db2.gz HFHBWMCCZUWKJE-LRSLUSHPSA-N 2 0 358.526 3.072 20 0 FGADRP CC(C)[N@@H+](C)C[C@H](C)NC(=O)NCc1ccccc1C[NH+]1CCC(C)CC1 ZINC000518453517 503989985 /nfs/dbraw/zinc/98/99/85/503989985.db2.gz PPLOPRRNERMYEV-IBGZPJMESA-N 2 0 374.573 3.446 20 0 FGADRP C[C@H]([NH2+]C[C@@H]1CCN1C1CCCCC1)c1ccc(N2CCNC2=O)cc1 ZINC000527947188 504010380 /nfs/dbraw/zinc/01/03/80/504010380.db2.gz KDZFNZRKTTVKEH-JXFKEZNVSA-N 2 0 356.514 3.274 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H](NC[C@@H]2CC[NH+]2C2CCCCC2)[C@@H](C)C1 ZINC000527950022 504013105 /nfs/dbraw/zinc/01/31/05/504013105.db2.gz OUOMJJSSXBQEJY-JBACZVJFSA-N 2 0 351.579 3.120 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)C1 ZINC000518593126 504022526 /nfs/dbraw/zinc/02/25/26/504022526.db2.gz ZVGHPAPGGWYHBM-HSALFYBXSA-N 2 0 364.578 3.014 20 0 FGADRP C[NH+](C)Cc1ccc(C(=O)NC[C@H](c2ccc(Cl)cc2)[NH+](C)C)cc1 ZINC000530602880 504023178 /nfs/dbraw/zinc/02/31/78/504023178.db2.gz SFAWLQFUOPYXJQ-LJQANCHMSA-N 2 0 359.901 3.434 20 0 FGADRP CCO[C@H]1C[C@@H]([NH2+]Cc2ccncc2OCCC[NH+](C)C)C12CCCC2 ZINC000518607494 504025963 /nfs/dbraw/zinc/02/59/63/504025963.db2.gz CQEMYWWKZCFIBW-UXHICEINSA-N 2 0 361.530 3.240 20 0 FGADRP C[N@H+](CCN1CC[NH+](CCCc2ccsc2)CC1)Cc1ccccc1 ZINC000541172797 504031235 /nfs/dbraw/zinc/03/12/35/504031235.db2.gz GHCPEJFEEASXSN-UHFFFAOYSA-N 2 0 357.567 3.430 20 0 FGADRP O=C1Nc2ccccc2C[C@H]1N[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000528001977 504034252 /nfs/dbraw/zinc/03/42/52/504034252.db2.gz QNCDSRFUAWZDJL-XAPVIXHLSA-N 2 0 361.489 3.335 20 0 FGADRP Cc1cc(C[N@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)cc2cccnc12 ZINC000544352199 504099917 /nfs/dbraw/zinc/09/99/17/504099917.db2.gz YBYOBAJDEMERSW-OAQYLSRUSA-N 2 0 352.526 3.144 20 0 FGADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)N2CC[NH+](CCC(C)(C)C)CC2)C1 ZINC000518998579 504113942 /nfs/dbraw/zinc/11/39/42/504113942.db2.gz NWSXIALFICDYSV-LJQANCHMSA-N 2 0 366.594 3.262 20 0 FGADRP C[C@@H]([NH2+]CC1(O)Cc2ccccc2C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000547503547 504129514 /nfs/dbraw/zinc/12/95/14/504129514.db2.gz UURYTKKZQXZELS-XMSQKQJNSA-N 2 0 350.506 3.017 20 0 FGADRP c1ccc([C@H]([NH2+]CCCC[NH+]2CCN(c3ncccn3)CC2)C2CC2)cc1 ZINC000538101324 504133339 /nfs/dbraw/zinc/13/33/39/504133339.db2.gz VHQNHYDEVKCGCC-NRFANRHFSA-N 2 0 365.525 3.120 20 0 FGADRP C[C@H](CNC(=O)N1CC[N@H+](Cc2ccccc2)C(C)(C)C1)C[NH+]1CCCC1 ZINC000519177910 504157200 /nfs/dbraw/zinc/15/72/00/504157200.db2.gz QZBKRENRGFOKNZ-LJQANCHMSA-N 2 0 372.557 3.024 20 0 FGADRP C[C@H](CNC(=O)NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1)[NH+](C)C1CC1 ZINC000519204728 504165048 /nfs/dbraw/zinc/16/50/48/504165048.db2.gz AFLJWNWGADLKSO-ZWKOTPCHSA-N 2 0 372.557 3.343 20 0 FGADRP Cc1cc(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)cc2cccnc12 ZINC000541536715 504169244 /nfs/dbraw/zinc/16/92/44/504169244.db2.gz JJTIIAJFUZQRDC-RXVVDRJESA-N 2 0 352.526 3.001 20 0 FGADRP Cc1cc(C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)cc2cccnc12 ZINC000541536713 504169703 /nfs/dbraw/zinc/16/97/03/504169703.db2.gz JJTIIAJFUZQRDC-GHTZIAJQSA-N 2 0 352.526 3.001 20 0 FGADRP C[C@@H]([NH2+]Cc1cc(C(F)(F)F)ccc1N1CC[NH+](C)CC1)[C@@H]1CCCO1 ZINC000541544083 504171592 /nfs/dbraw/zinc/17/15/92/504171592.db2.gz RHBCWZHCFCEVQD-KDOFPFPSSA-N 2 0 371.447 3.114 20 0 FGADRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N[C@H]2CC[NH+](C)[C@H]2c2ccccc2)C1 ZINC000534611369 504190978 /nfs/dbraw/zinc/19/09/78/504190978.db2.gz OCXSSYBEFOTFTI-HOJAQTOUSA-N 2 0 372.557 3.242 20 0 FGADRP C[C@@H]1CCC[C@H](C)[NH+]1CCNC(=O)NCCCC[N@H+]1CCCC[C@@H]1C ZINC000519381311 504208315 /nfs/dbraw/zinc/20/83/15/504208315.db2.gz WXWUDGWFLFVUTG-GBESFXJTSA-N 2 0 352.567 3.203 20 0 FGADRP CC1CC[NH+](Cc2cccc(CNC(=O)c3c[nH+]ccc3N(C)C)c2)CC1 ZINC000544684918 504218173 /nfs/dbraw/zinc/21/81/73/504218173.db2.gz MWWXUQTZZCUVPM-UHFFFAOYSA-N 2 0 366.509 3.310 20 0 FGADRP C[C@@H](CC[NH+](C)C)NC(=O)NC[C@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC000519449719 504224423 /nfs/dbraw/zinc/22/44/23/504224423.db2.gz KXWDDRXROBVIPB-AZUAARDMSA-N 2 0 360.546 3.099 20 0 FGADRP C[C@H]([NH2+]CC1=CC[N@H+](C)CC1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000538406626 504238027 /nfs/dbraw/zinc/23/80/27/504238027.db2.gz MVKSZXRODCAMEC-INIZCTEOSA-N 2 0 362.539 3.315 20 0 FGADRP CCO[C@H]1C[C@@H]([NH2+]Cc2ccnc(OCC[NH+](C)C)c2)C12CCCCC2 ZINC000538406465 504238349 /nfs/dbraw/zinc/23/83/49/504238349.db2.gz GUIGTLLMISJXIS-MOPGFXCFSA-N 2 0 361.530 3.240 20 0 FGADRP CCC1(CC)[C@H]([NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)[C@@H](C)[C@H]1OC ZINC000538407708 504238365 /nfs/dbraw/zinc/23/83/65/504238365.db2.gz KOFJKHZZFCKJDJ-XIKSMUEASA-N 2 0 352.563 3.184 20 0 FGADRP CCC1(CC)[C@H]([NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)[C@@H](C)[C@@H]1OC ZINC000538407707 504238382 /nfs/dbraw/zinc/23/83/82/504238382.db2.gz KOFJKHZZFCKJDJ-PKOFMYQESA-N 2 0 352.563 3.184 20 0 FGADRP C[C@H]([NH2+]C[C@@H](CO)Cc1ccccc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000547827805 504239080 /nfs/dbraw/zinc/23/90/80/504239080.db2.gz AQWDUFKQCMZLEG-AJSBUHFISA-N 2 0 352.522 3.338 20 0 FGADRP C[C@H]1C[C@@H]1c1ccc(C[NH2+]CC2CC[NH+](CC(=O)NC(C)(C)C)CC2)o1 ZINC000538413183 504240705 /nfs/dbraw/zinc/24/07/05/504240705.db2.gz ZGJXKSWMISYMFG-YJBOKZPZSA-N 2 0 361.530 3.119 20 0 FGADRP CN1CC[NH+](CC2(C)CC[NH+](Cc3cnc(C4CCC4)s3)CC2)CC1 ZINC000541762730 504246531 /nfs/dbraw/zinc/24/65/31/504246531.db2.gz YWRDUCAXVCANBR-UHFFFAOYSA-N 2 0 362.587 3.260 20 0 FGADRP COc1ccc([C@@H](C)[NH2+][C@@H](CC(C)C)C(=O)NCC[NH+](C)C)cc1Cl ZINC000538548082 504281101 /nfs/dbraw/zinc/28/11/01/504281101.db2.gz XBRNIHFZULMBOU-PBHICJAKSA-N 2 0 369.937 3.092 20 0 FGADRP CCN(C(=O)CCN(C)c1cc[nH+]cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000544876331 504287551 /nfs/dbraw/zinc/28/75/51/504287551.db2.gz ZNTIOIKMFWJXNA-NRFANRHFSA-N 2 0 366.509 3.031 20 0 FGADRP C(CC[N@@H+]1CCC[C@H]([C@@H]2CCOC2)C1)C[NH+]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000535011616 504312455 /nfs/dbraw/zinc/31/24/55/504312455.db2.gz DUBVYFKQFANYMU-MYGLTJDJSA-N 2 0 364.574 3.264 20 0 FGADRP CCC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000528657041 504316735 /nfs/dbraw/zinc/31/67/35/504316735.db2.gz QOGKVXKAYRXDQB-FYZZASKESA-N 2 0 357.542 3.134 20 0 FGADRP CC(C)[NH+](CCNC(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)cc1)C(C)C ZINC000519770547 504333640 /nfs/dbraw/zinc/33/36/40/504333640.db2.gz OPUMSBUUIVMSJS-GOSISDBHSA-N 2 0 368.953 3.361 20 0 FGADRP CCC[NH+]1CCN(c2ccccc2C[NH2+]CC2(N(C)C)CCCC2)CC1 ZINC000531532018 504336219 /nfs/dbraw/zinc/33/62/19/504336219.db2.gz OERCVHLFBJMQNU-UHFFFAOYSA-N 2 0 358.574 3.183 20 0 FGADRP CN1CCC([NH+]2CCC(CC[N@H+](C)Cc3cccc4c3OCO4)CC2)CC1 ZINC000538724036 504344205 /nfs/dbraw/zinc/34/42/05/504344205.db2.gz NYNLDRVTOJOTBO-UHFFFAOYSA-N 2 0 373.541 3.043 20 0 FGADRP C[C@H]([NH2+]C[C@@H](O)CCc1ccccc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000548158938 504352154 /nfs/dbraw/zinc/35/21/54/504352154.db2.gz LWUCJPHSPKVJNI-VJBMBRPKSA-N 2 0 352.522 3.480 20 0 FGADRP CCOc1ccc(C[N@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)C(C)C)cc1 ZINC000519908038 504380217 /nfs/dbraw/zinc/38/02/17/504380217.db2.gz CKUWKTMHBXRQFX-UHFFFAOYSA-N 2 0 373.541 3.039 20 0 FGADRP COc1ccc(CC[NH2+]Cc2c(Cl)cccc2N2CC[NH+](C)CC2)cc1 ZINC000538850969 504392789 /nfs/dbraw/zinc/39/27/89/504392789.db2.gz MNJAUASZLJCERC-UHFFFAOYSA-N 2 0 373.928 3.433 20 0 FGADRP C[C@@H](CC(N)=O)[NH2+]Cc1ccccc1-c1ccc(C[NH+]2CCCC2)cc1 ZINC000531691702 504394890 /nfs/dbraw/zinc/39/48/90/504394890.db2.gz KDVKAQRZXVOWDD-KRWDZBQOSA-N 2 0 351.494 3.303 20 0 FGADRP OC[C@H](C[NH2+]C1CC[NH+](CCc2ccccc2)CC1)Cc1ccc(F)cc1 ZINC000531697408 504395626 /nfs/dbraw/zinc/39/56/26/504395626.db2.gz OEDGUJHGUHPMBE-NRFANRHFSA-N 2 0 370.512 3.273 20 0 FGADRP CC1CC[NH+](CCNC(=O)NC[C@H]2CCCC[N@@H+]2Cc2ccccc2)CC1 ZINC000520070341 504407222 /nfs/dbraw/zinc/40/72/22/504407222.db2.gz BKEYDQNKRILDLB-OAQYLSRUSA-N 2 0 372.557 3.072 20 0 FGADRP O=C([C@H]1CCC[N@H+](Cc2ccccc2)C1)N1CCC([NH+]2CCCCC2)CC1 ZINC000520188257 504430421 /nfs/dbraw/zinc/43/04/21/504430421.db2.gz KFPNNHPEKKBOTM-NRFANRHFSA-N 2 0 369.553 3.376 20 0 FGADRP C[C@H]([NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc2c(c1)CCC(=O)N2 ZINC000539075796 504465890 /nfs/dbraw/zinc/46/58/90/504465890.db2.gz LMTUHSTWIQORQR-BBWFWOEESA-N 2 0 359.514 3.111 20 0 FGADRP Cc1cccn2cc(CC(=O)NCc3cccc(C[N@@H+](C)C(C)C)c3)nc12 ZINC000520357553 504476928 /nfs/dbraw/zinc/47/69/28/504476928.db2.gz BOJSSWZGUWZABJ-UHFFFAOYSA-N 2 0 364.493 3.342 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(Cn3ccnc3)cc2)[C@@H](C)C1 ZINC000531937455 504480733 /nfs/dbraw/zinc/48/07/33/504480733.db2.gz ASLGLAXJORVKID-UGKGYDQZSA-N 2 0 370.541 3.158 20 0 FGADRP CC(C)CNC(=O)[C@@H](C)[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000535677596 504505037 /nfs/dbraw/zinc/50/50/37/504505037.db2.gz ZTOQZRAEUZOKDG-LJQANCHMSA-N 2 0 357.542 3.135 20 0 FGADRP CC(C)N(C)C(=O)[C@@H](C)[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000535681295 504506451 /nfs/dbraw/zinc/50/64/51/504506451.db2.gz RZRHAFXNYLOZTE-LJQANCHMSA-N 2 0 357.542 3.230 20 0 FGADRP Cc1c(NCC(C)(C)C)cccc1C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000532058748 504521140 /nfs/dbraw/zinc/52/11/40/504521140.db2.gz VQPFYTVVIHRUAV-UHFFFAOYSA-N 2 0 362.562 3.018 20 0 FGADRP C[C@H]([NH2+]CCc1ccc(OCC[N@@H+]2C[C@H](C)[C@H](C)C2)cc1)c1cnccn1 ZINC000539299132 504522944 /nfs/dbraw/zinc/52/29/44/504522944.db2.gz WDKZZTJQGYKIHJ-OTWHNJEPSA-N 2 0 368.525 3.337 20 0 FGADRP COc1ccc(CN2CC[C@@H]2CNC(=O)Nc2c(C)cc(C)nc2C)cc1 ZINC000529105145 504537827 /nfs/dbraw/zinc/53/78/27/504537827.db2.gz SCISRCRWILUGGN-GOSISDBHSA-N 2 0 368.481 3.411 20 0 FGADRP CCOc1cccc(C[NH2+]CC2(O)CC[NH+](C(C)C)CC2)c1OC(F)F ZINC000532120142 504541345 /nfs/dbraw/zinc/54/13/45/504541345.db2.gz XCQKLYZNOMPNIF-UHFFFAOYSA-N 2 0 372.456 3.012 20 0 FGADRP C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000532191752 504568017 /nfs/dbraw/zinc/56/80/17/504568017.db2.gz QDIYQXNIIKZQRX-LZQZEXGQSA-N 2 0 363.933 3.293 20 0 FGADRP CC[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1)C1CCOCC1 ZINC000532215063 504575462 /nfs/dbraw/zinc/57/54/62/504575462.db2.gz KAUNIKXBPOTTGN-OXJNMPFZSA-N 2 0 363.521 3.433 20 0 FGADRP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000535939323 504588171 /nfs/dbraw/zinc/58/81/71/504588171.db2.gz XONXZKXTZYXOFA-UXHICEINSA-N 2 0 364.578 3.014 20 0 FGADRP NC(=O)[C@H](Cc1ccccc1)[NH2+]Cc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000542729805 504589594 /nfs/dbraw/zinc/58/95/94/504589594.db2.gz SGMLAQQCRGVNKO-QFIPXVFZSA-N 2 0 365.521 3.249 20 0 FGADRP CN(CCC[NH+](C)C)C(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000542729937 504590169 /nfs/dbraw/zinc/59/01/69/504590169.db2.gz RLNSDSJFZLPEOY-GOSISDBHSA-N 2 0 366.937 3.070 20 0 FGADRP CCC[NH+]1CCN(c2ccccc2C[NH2+][C@@H]2CCOC3(CCC3)C2)CC1 ZINC000532270291 504592694 /nfs/dbraw/zinc/59/26/94/504592694.db2.gz ZQHFRTXPAKVNKP-HXUWFJFHSA-N 2 0 357.542 3.410 20 0 FGADRP COc1ccc(-c2ccccc2)cc1C[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000532299792 504602913 /nfs/dbraw/zinc/60/29/13/504602913.db2.gz GXFVDTITCGYHGO-UHFFFAOYSA-N 2 0 367.537 3.478 20 0 FGADRP C(CC1CC[NH+](C[C@@H]2CCC3(CCCC3)O2)CC1)C[NH+]1CCOCC1 ZINC000548915236 504617856 /nfs/dbraw/zinc/61/78/56/504617856.db2.gz RMTJSWZFAVOAGF-FQEVSTJZSA-N 2 0 350.547 3.303 20 0 FGADRP CC(C)[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000529341237 504639117 /nfs/dbraw/zinc/63/91/17/504639117.db2.gz PWFHOILVWCUQDL-NHCUHLMSSA-N 2 0 372.557 3.071 20 0 FGADRP Cc1ccc(C[NH2+]CCCC[NH+]2C[C@H](C)O[C@@H](C)C2)c(-c2ccnn2C)c1 ZINC000548976731 504642530 /nfs/dbraw/zinc/64/25/30/504642530.db2.gz FCOXQBSISLUDNK-OALUTQOASA-N 2 0 370.541 3.375 20 0 FGADRP C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000532446879 504655099 /nfs/dbraw/zinc/65/50/99/504655099.db2.gz MTLTYWXETAGPGI-ATZDWAIDSA-N 2 0 363.933 3.293 20 0 FGADRP C[N@H+](CCCNC(=O)N[C@@H]1CC[NH+](C)[C@H]1c1ccccc1)C1CCCCC1 ZINC000536170749 504656128 /nfs/dbraw/zinc/65/61/28/504656128.db2.gz GUSIMWBNAULPDV-RTWAWAEBSA-N 2 0 372.557 3.386 20 0 FGADRP C[N@H+](CCC(=O)NC[C@H]1CC[NH+](CCc2ccccc2)C1)C1CCCCC1 ZINC000546016249 504674922 /nfs/dbraw/zinc/67/49/22/504674922.db2.gz DEGRHIIXSOFPTK-OAQYLSRUSA-N 2 0 371.569 3.322 20 0 FGADRP C[C@H](Cc1ccsc1)[NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000532514462 504678486 /nfs/dbraw/zinc/67/84/86/504678486.db2.gz KGUHHKJYZAXXEI-OXQOHEQNSA-N 2 0 371.550 3.166 20 0 FGADRP CN1CCC([NH+]2CCC(CC[N@H+](C)Cc3ccc4[nH]cnc4c3)CC2)CC1 ZINC000539823353 504703966 /nfs/dbraw/zinc/70/39/66/504703966.db2.gz CSXDEJGPKWJEIH-UHFFFAOYSA-N 2 0 369.557 3.191 20 0 FGADRP C[NH+](C)CCOC1CC[NH+](Cc2cccc(OCC(F)(F)F)c2)CC1 ZINC000539832426 504708959 /nfs/dbraw/zinc/70/89/59/504708959.db2.gz VRLPUUCLNGSQIN-UHFFFAOYSA-N 2 0 360.420 3.170 20 0 FGADRP CC(C)[NH+]1CCC(N[C@H](CCO)c2ccccc2Br)CC1 ZINC000543110909 504729202 /nfs/dbraw/zinc/72/92/02/504729202.db2.gz KPNWOJPCEOJJCJ-QGZVFWFLSA-N 2 0 355.320 3.335 20 0 FGADRP CC(C)[N@@H+](CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)CC1CC1 ZINC000532665047 504729789 /nfs/dbraw/zinc/72/97/89/504729789.db2.gz BSCZARITHRHKHI-UHFFFAOYSA-N 2 0 361.555 3.294 20 0 FGADRP CCc1nc2cc(CNC(=O)N[C@H](C)C[NH+](CC)CC)ccc2n1C1CC1 ZINC000549231342 504732419 /nfs/dbraw/zinc/73/24/19/504732419.db2.gz YFLRZZJKTVFCOX-OAHLLOKOSA-N 2 0 371.529 3.463 20 0 FGADRP COc1ccc(-c2noc([C@H](C)[N@@H+]3CC[C@H](c4nccn4C)C3)n2)cc1 ZINC000521455946 504740342 /nfs/dbraw/zinc/74/03/42/504740342.db2.gz WOLVKBHJRNNNFJ-ZFWWWQNUSA-N 2 0 353.426 3.029 20 0 FGADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H]1CCc2cccc(Br)c2C1 ZINC000521470436 504743064 /nfs/dbraw/zinc/74/30/64/504743064.db2.gz QRUVCJVBZLRTAJ-JKSUJKDBSA-N 2 0 369.347 3.253 20 0 FGADRP C[C@@H](c1ccc(F)cc1)N1CC[C@@H]([NH+]2CCC(C[NH+]3CCCC3)CC2)C1=O ZINC000521469128 504743248 /nfs/dbraw/zinc/74/32/48/504743248.db2.gz XYNIQOYRLFPOKD-LAUBAEHRSA-N 2 0 373.516 3.295 20 0 FGADRP CCCC[NH+]1CCC(NC(=O)NC(C)(C)C[N@H+](C)Cc2ccccc2)CC1 ZINC000532834083 504765389 /nfs/dbraw/zinc/76/53/89/504765389.db2.gz SGONNVVPYQLGBS-UHFFFAOYSA-N 2 0 374.573 3.461 20 0 FGADRP Cc1cc(C)n(-c2ccc(C[NH+]3CCC([C@H]4OCCC[C@@H]4[NH3+])CC3)cc2)n1 ZINC000565044272 504779756 /nfs/dbraw/zinc/77/97/56/504779756.db2.gz QZROLYSUTHAGRG-FCHUYYIVSA-N 2 0 368.525 3.207 20 0 FGADRP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)CCOC[C@H]3CCCO3)C2)s1 ZINC000565051668 504782207 /nfs/dbraw/zinc/78/22/07/504782207.db2.gz OSEDYOYAGNYOHV-ZWKOTPCHSA-N 2 0 352.544 3.006 20 0 FGADRP Cc1ccccc1-n1cc(C[NH2+]CCCC[NH+]2C[C@H](C)C[C@@H](C)C2)nn1 ZINC000565326085 504854185 /nfs/dbraw/zinc/85/41/85/504854185.db2.gz PQNHGTJLXWCJJH-QZTJIDSGSA-N 2 0 355.530 3.423 20 0 FGADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@H](CO)c1ccc(C(F)(F)F)cc1 ZINC000565357571 504864387 /nfs/dbraw/zinc/86/43/87/504864387.db2.gz VIVWHPUUTXYRGV-SJKOYZFVSA-N 2 0 353.388 3.252 20 0 FGADRP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1ccc2c[nH+]cn2c1 ZINC000556478137 504884459 /nfs/dbraw/zinc/88/44/59/504884459.db2.gz VZGIAWJWUXBOBI-FQEVSTJZSA-N 2 0 362.477 3.365 20 0 FGADRP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000553390817 504901881 /nfs/dbraw/zinc/90/18/81/504901881.db2.gz PWIMINDVJBFSQK-NQIIRXRSSA-N 2 0 370.541 3.051 20 0 FGADRP C[N@@H+]1CCC[C@@]2(CC[NH+](C[C@H](O)Cc3ccccc3C(F)(F)F)C2)C1 ZINC000549841649 504914041 /nfs/dbraw/zinc/91/40/41/504914041.db2.gz XQWZHKDKCZVBPW-SJLPKXTDSA-N 2 0 356.432 3.027 20 0 FGADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)NC[C@H](c1ccc(OC(C)C)cc1)[NH+](C)C ZINC000565559715 504922667 /nfs/dbraw/zinc/92/26/67/504922667.db2.gz RRIJSDSNQPVBDI-QFBILLFUSA-N 2 0 363.546 3.359 20 0 FGADRP C[NH+]1CCC2(CC1)C[C@@H]([NH2+]CCCCn1ccnc1)c1ccccc1O2 ZINC000565575661 504926775 /nfs/dbraw/zinc/92/67/75/504926775.db2.gz XYKMIWVRHIOZMV-LJQANCHMSA-N 2 0 354.498 3.241 20 0 FGADRP Cc1ccc(-c2nc(C[NH+]3CCC([C@@H]4OCCC[C@@H]4[NH3+])CC3)co2)cc1 ZINC000562750780 504932281 /nfs/dbraw/zinc/93/22/81/504932281.db2.gz JUMJMBOAFGZMQU-PMACEKPBSA-N 2 0 355.482 3.368 20 0 FGADRP Cc1ccc(OC2CC[NH+](C[C@H](O)[C@@H]([NH3+])Cc3ccccc3)CC2)cc1C ZINC000565599316 504933460 /nfs/dbraw/zinc/93/34/60/504933460.db2.gz YUYSRKWJFHFGDU-GOTSBHOMSA-N 2 0 368.521 3.078 20 0 FGADRP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCC(C)CC2)cc1)C(C)(C)n1cncn1 ZINC000559895423 504945770 /nfs/dbraw/zinc/94/57/70/504945770.db2.gz QPYHYLYNTAGAOR-SFHVURJKSA-N 2 0 355.530 3.423 20 0 FGADRP Cc1cc(C(C)(C)C)ccc1OC[C@@H](O)C[NH2+][C@H](C)C1=CC[N@H+](C)CC1 ZINC000565654951 504950397 /nfs/dbraw/zinc/95/03/97/504950397.db2.gz ZMPSTXLCMAVCCD-XLIONFOSSA-N 2 0 360.542 3.272 20 0 FGADRP C[C@@H](C(=O)Nc1ccc(OC(F)F)cc1)[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000562838422 504961279 /nfs/dbraw/zinc/96/12/79/504961279.db2.gz XULRXHJNRCBXOI-GUYCJALGSA-N 2 0 367.440 3.079 20 0 FGADRP C[N@@H+]1CCCC[C@@H]1CCC(=O)N1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000556832951 504989156 /nfs/dbraw/zinc/98/91/56/504989156.db2.gz NTMJITHHEIFYLS-GOSISDBHSA-N 2 0 366.509 3.148 20 0 FGADRP COCc1ccccc1/C=C(\C)C[NH+]1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC000556866677 505000361 /nfs/dbraw/zinc/00/03/61/505000361.db2.gz GTUFFHNMOFUEHT-CAPFRKAQSA-N 2 0 371.569 3.196 20 0 FGADRP O=C(CC[NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1)Nc1ccccc1 ZINC000562984396 505009972 /nfs/dbraw/zinc/00/99/72/505009972.db2.gz KGDPSMORIFPDIY-FQEVSTJZSA-N 2 0 351.494 3.169 20 0 FGADRP C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)N(C)CCC[N@H+](C)Cc1ccco1 ZINC000553875666 505030505 /nfs/dbraw/zinc/03/05/05/505030505.db2.gz KHQPRYNWRXHULS-ROUUACIJSA-N 2 0 364.534 3.006 20 0 FGADRP CC1(C)C[NH2+]CC[C@@H]1NC(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000565939830 505032946 /nfs/dbraw/zinc/03/29/46/505032946.db2.gz ICDKETUQBBJYNW-IBGZPJMESA-N 2 0 374.529 3.061 20 0 FGADRP CC[NH+](CC)Cc1cccc(CNC(=O)[C@]2(c3ccccc3)CC[NH2+]C2)c1 ZINC000563064529 505037224 /nfs/dbraw/zinc/03/72/24/505037224.db2.gz MZNNRLGABWKBPJ-HSZRJFAPSA-N 2 0 365.521 3.076 20 0 FGADRP O=C(NCc1cccc(C[NH+]2CCCC2)c1)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000557032512 505048834 /nfs/dbraw/zinc/04/88/34/505048834.db2.gz FYNCTFIDONHXMU-UHFFFAOYSA-N 2 0 364.493 3.250 20 0 FGADRP C[C@@H](NC(=O)Nc1ccc2c(c1)C[NH2+]CC2)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000557036129 505049280 /nfs/dbraw/zinc/04/92/80/505049280.db2.gz ZNGCVSKTFOYMNY-WBVHZDCISA-N 2 0 356.514 3.107 20 0 FGADRP [NH3+]C1(CNC(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)CCCCCC1 ZINC000557137431 505075771 /nfs/dbraw/zinc/07/57/71/505075771.db2.gz MVVJNOGYNZZEEJ-MRXNPFEDSA-N 2 0 364.559 3.236 20 0 FGADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+][C@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000566089293 505077168 /nfs/dbraw/zinc/07/71/68/505077168.db2.gz UCRFYRDURFLTIL-VHRBIJSZSA-N 2 0 362.827 3.050 20 0 FGADRP CCC[N@@H+]1CC[C@H](CNC(=O)N[C@@H](C)[C@H](c2ccccc2C)[NH+](C)C)C1 ZINC000554192599 505112800 /nfs/dbraw/zinc/11/28/00/505112800.db2.gz ZYFJOVPEAAUPPT-NLWGTHIKSA-N 2 0 360.546 3.017 20 0 FGADRP COCC[N@H+](C)CC[C@H](N[C@@H]1CC[NH+](C)[C@@H]2CCC[C@H]21)c1ccccc1 ZINC000560528244 505115875 /nfs/dbraw/zinc/11/58/75/505115875.db2.gz OGWGOBDBGJONRX-FNAHDJPLSA-N 2 0 359.558 3.158 20 0 FGADRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@@H](C)Cn1cc(Br)ccc1=O ZINC000550886151 505119698 /nfs/dbraw/zinc/11/96/98/505119698.db2.gz DJRKYTHXANQSPA-CABCVRRESA-N 2 0 372.351 3.099 20 0 FGADRP O=C(C[NH2+][C@H]1CC=C(c2ccc(F)cc2)CC1)NCC[NH+]1CCCCCC1 ZINC000560547360 505122045 /nfs/dbraw/zinc/12/20/45/505122045.db2.gz SJNZWSMBSJRFOZ-NRFANRHFSA-N 2 0 373.516 3.343 20 0 FGADRP C[C@H](CC(=O)Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1)n1ccnc1 ZINC000566308618 505140607 /nfs/dbraw/zinc/14/06/07/505140607.db2.gz UJBXVAKSFMQXCV-QGZVFWFLSA-N 2 0 367.497 3.005 20 0 FGADRP CCC[NH+]1CCN(c2ccccc2C[N@@H+]2CCC[C@@](CO)(C(C)C)C2)CC1 ZINC000560619471 505146275 /nfs/dbraw/zinc/14/62/75/505146275.db2.gz VGBFEEZYCFZPGN-HSZRJFAPSA-N 2 0 373.585 3.449 20 0 FGADRP CC(C)[NH+]1CCC(NC(=O)CN2[C@H](C)c3ccc(F)cc3C[C@@H]2C)CC1 ZINC000560638092 505150498 /nfs/dbraw/zinc/15/04/98/505150498.db2.gz ICGCAPGBMPAQDI-JKSUJKDBSA-N 2 0 361.505 3.122 20 0 FGADRP CC1CC[NH+](CCc2cccc(NC(=O)N[C@@H]3CC[NH2+]CC3(C)C)c2)CC1 ZINC000563478641 505150948 /nfs/dbraw/zinc/15/09/48/505150948.db2.gz GLLRRFGTGFOHKV-HXUWFJFHSA-N 2 0 372.557 3.471 20 0 FGADRP C[C@H]1C[C@@H](C[NH3+])CN1C(=O)Nc1cccc(CC[NH+]2CCC(C)CC2)c1 ZINC000563478628 505150987 /nfs/dbraw/zinc/15/09/87/505150987.db2.gz FVJCZIHPRSVEKP-HKUYNNGSSA-N 2 0 358.530 3.162 20 0 FGADRP CC(C)[N@H+](C)CC1CCN(C(=O)N[C@@H]2CC[NH+](C)[C@H]2c2ccccc2)CC1 ZINC000551111678 505159067 /nfs/dbraw/zinc/15/90/67/505159067.db2.gz NVZBNVNLMWHLGC-RTWAWAEBSA-N 2 0 372.557 3.194 20 0 FGADRP C[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2ccc(Cn3cncn3)cc2)CC1 ZINC000563562250 505176858 /nfs/dbraw/zinc/17/68/58/505176858.db2.gz MVOJJSHVIGNQOH-AVRDEDQJSA-N 2 0 367.541 3.459 20 0 FGADRP Cc1ccc(NC(=O)C2CC[NH+]([C@H]3CCSC3)CC2)c(C[NH+](C)C)c1 ZINC000557617207 505183401 /nfs/dbraw/zinc/18/34/01/505183401.db2.gz KGLZAAQJMWRBJV-SFHVURJKSA-N 2 0 361.555 3.213 20 0 FGADRP COc1cc(F)c([C@H](C)[NH2+]CCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1OC ZINC000560897417 505208953 /nfs/dbraw/zinc/20/89/53/505208953.db2.gz FGLYQCFFGWBJFX-XHSDSOJGSA-N 2 0 368.493 3.383 20 0 FGADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+][C@@H]3CCOC4(CCOCC4)C3)CC2)C1 ZINC000560921083 505211130 /nfs/dbraw/zinc/21/11/30/505211130.db2.gz VVAXCPPZKBUQDX-RLLQIKCJSA-N 2 0 350.547 3.347 20 0 FGADRP CCc1ccc([C@@H](CNC(=O)Nc2cccc3c2CC[NH2+]C3)[NH+](C)C)cc1 ZINC000563873508 505264153 /nfs/dbraw/zinc/26/41/53/505264153.db2.gz KAPPVRQVDFRVDA-OAQYLSRUSA-N 2 0 366.509 3.319 20 0 FGADRP C[NH+](C)CCN(CC[NH+](C)C)Cc1ccc(-c2c(F)cccc2F)o1 ZINC000566823286 505282116 /nfs/dbraw/zinc/28/21/16/505282116.db2.gz GXPMEAQDQPHUMK-UHFFFAOYSA-N 2 0 351.441 3.150 20 0 FGADRP C[C@@H]1C[N@H+](C)CC[C@@H]1Nc1ccc(NC(=O)C[NH+]2CCCCCC2)cc1 ZINC000558043333 505294951 /nfs/dbraw/zinc/29/49/51/505294951.db2.gz XHIFKUORDGCKBS-XLIONFOSSA-N 2 0 358.530 3.253 20 0 FGADRP C[C@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2)[C@]1(C)CCCO1 ZINC000566870582 505296505 /nfs/dbraw/zinc/29/65/05/505296505.db2.gz ZTFBSBJWWCDUMD-BVSLBCMMSA-N 2 0 372.553 3.462 20 0 FGADRP CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)c1 ZINC000564029416 505305596 /nfs/dbraw/zinc/30/55/96/505305596.db2.gz MCCRDYLNIHVWFL-LJQANCHMSA-N 2 0 374.529 3.168 20 0 FGADRP COc1ccc(C[NH2+]CC2(SC)CC[NH+](C)CC2)cc1OC(F)F ZINC000561401216 505336683 /nfs/dbraw/zinc/33/66/83/505336683.db2.gz NFUXFBLDEBHTRZ-UHFFFAOYSA-N 2 0 360.470 3.214 20 0 FGADRP Cc1ccccc1[C@H]([NH3+])C(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000567046557 505348453 /nfs/dbraw/zinc/34/84/53/505348453.db2.gz GUPNELKWDTWWSJ-ZYSHUDEJSA-N 2 0 357.523 3.256 20 0 FGADRP C[C@@H](CCc1ccccc1)C[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000567085681 505359779 /nfs/dbraw/zinc/35/97/79/505359779.db2.gz DZSHPUXMGLKGNM-ATNRPFFGSA-N 2 0 355.570 3.498 20 0 FGADRP C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)[C@@H]1C[NH2+]C[C@H]1c1ccc(Cl)cc1 ZINC000567176109 505385646 /nfs/dbraw/zinc/38/56/46/505385646.db2.gz IJMWOUVKIHILFY-STEAMIEHSA-N 2 0 363.933 3.022 20 0 FGADRP CNC(=O)C[C@@H](C)[NH2+][C@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000555233287 505386264 /nfs/dbraw/zinc/38/62/64/505386264.db2.gz UFNHQKYIRRECKN-YJIIUURMSA-N 2 0 363.933 3.368 20 0 FGADRP CC[N@@H+]1CC[C@H]([NH+](C)CCCC(=O)Nc2ccccc2C(C)=O)C[C@H]1C ZINC000564344366 505390311 /nfs/dbraw/zinc/39/03/11/505390311.db2.gz PZKWDFZOAWHYGJ-AEFFLSMTSA-N 2 0 359.514 3.413 20 0 FGADRP C[C@@H]1CCCC[C@H]1[NH+]1CCC(NCc2ccncc2OCC[NH+](C)C)CC1 ZINC000561782966 505436839 /nfs/dbraw/zinc/43/68/39/505436839.db2.gz SGEKILNNTXZSER-WIYYLYMNSA-N 2 0 374.573 3.155 20 0 FGADRP COCC[C@](C)(O)C[NH2+][C@@H]1CCCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000552245003 505439683 /nfs/dbraw/zinc/43/96/83/505439683.db2.gz QBDLODSKGPQEED-KJJMTIBFSA-N 2 0 360.542 3.054 20 0 FGADRP CC(C)[NH2+]CCCNC(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000567362584 505441741 /nfs/dbraw/zinc/44/17/41/505441741.db2.gz KBKQPMMDTNKPOV-GOSISDBHSA-N 2 0 366.937 3.164 20 0 FGADRP C[C@H](CCc1ccc(F)cc1F)[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000552276676 505448246 /nfs/dbraw/zinc/44/82/46/505448246.db2.gz GWKMFYFVLMBZNF-XMCHAPAWSA-N 2 0 352.469 3.253 20 0 FGADRP C[N@@H+]1CC[C@H]([NH2+]CCc2ccc(OCC(F)(F)F)nc2)[C@@H]2CCC[C@H]21 ZINC000552281956 505449546 /nfs/dbraw/zinc/44/95/46/505449546.db2.gz PXDQGJFURQETFQ-HRCADAONSA-N 2 0 357.420 3.028 20 0 FGADRP Cc1ccc(C[NH2+]CC2(N3CCCC3)CCOCC2)c(-c2ccnn2C)c1 ZINC000558778402 505489912 /nfs/dbraw/zinc/48/99/12/505489912.db2.gz FQVNLAWKBFTJLH-UHFFFAOYSA-N 2 0 368.525 3.130 20 0 FGADRP Fc1ccc([C@@H]2CC[NH2+]C[C@@H]2C[NH2+]Cc2cccc(-n3cccn3)c2)cc1 ZINC000567589653 505508262 /nfs/dbraw/zinc/50/82/62/505508262.db2.gz WUXLBJFFCUUPOE-KNQAVFIVSA-N 2 0 364.468 3.494 20 0 FGADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)[C@@]1(c2ccccc2)CC[NH2+]C1 ZINC000567608889 505512898 /nfs/dbraw/zinc/51/28/98/505512898.db2.gz SXRDAORJPNWBIP-QHCPKHFHSA-N 2 0 365.521 3.074 20 0 FGADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]C[C@H](O)COc2cccc3ccccc32)C1 ZINC000567680716 505534151 /nfs/dbraw/zinc/53/41/51/505534151.db2.gz CXQJUDOQZIUBOW-ICSRJNTNSA-N 2 0 356.510 3.290 20 0 FGADRP CCC[NH+]1CCN(c2ccccc2C[N@@H+]2CC[C@@H](n3cc(C)cn3)C2)CC1 ZINC000562213497 505541950 /nfs/dbraw/zinc/54/19/50/505541950.db2.gz KROPEIJHZBNADW-OAQYLSRUSA-N 2 0 367.541 3.171 20 0 FGADRP Cc1ccccc1[C@H]([NH3+])C(=O)Nc1ccc(OCC[N@H+]2CC[C@H](C)C2)cc1 ZINC000564924575 505559256 /nfs/dbraw/zinc/55/92/56/505559256.db2.gz MCGJFZNYVNIELC-KKSFZXQISA-N 2 0 367.493 3.354 20 0 FGADRP C[C@@H](CC(=O)N(CC[NH+](C)C)Cc1cccc(Cl)c1)C1CC[NH2+]CC1 ZINC000567819746 505565701 /nfs/dbraw/zinc/56/57/01/505565701.db2.gz WZIYPXDONNKDAN-INIZCTEOSA-N 2 0 365.949 3.256 20 0 FGADRP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](Cc2ncc(-c3ccc(Cl)cc3)o2)CC1 ZINC000564989247 505565906 /nfs/dbraw/zinc/56/59/06/505565906.db2.gz VPMVBPNIGAJTRB-APWZRJJASA-N 2 0 361.873 3.323 20 0 FGADRP Cc1cccc(C)c1OC[C@H](O)C[NH2+]Cc1ccc(C[NH+](C)C)c(F)c1 ZINC000567891649 505570240 /nfs/dbraw/zinc/57/02/40/505570240.db2.gz NIUWBEXYXMMGNR-LJQANCHMSA-N 2 0 360.473 3.034 20 0 FGADRP C[N@H+](CCCCCc1cc(-c2cccc(F)c2)no1)CCN1CC[NH2+]CC1 ZINC000567896397 505570428 /nfs/dbraw/zinc/57/04/28/505570428.db2.gz GAXQTASHCVMCBU-UHFFFAOYSA-N 2 0 374.504 3.031 20 0 FGADRP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](CCCOc2cccc(C(F)(F)F)c2)CC1 ZINC000582726913 506386621 /nfs/dbraw/zinc/38/66/21/506386621.db2.gz PHJBLWCSBYQNPD-MSOLQXFVSA-N 2 0 372.431 3.303 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)c1ccccc1Cl ZINC000599291599 506399696 /nfs/dbraw/zinc/39/96/96/506399696.db2.gz GDFPURZFGDEOPI-QZTJIDSGSA-N 2 0 351.922 3.323 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC000599314020 506409626 /nfs/dbraw/zinc/40/96/26/506409626.db2.gz IGFKMZVTYFVPMP-LVCYWYKZSA-N 2 0 357.542 3.265 20 0 FGADRP CCc1ccccc1[C@@H]([NH3+])CNC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000582904230 506481267 /nfs/dbraw/zinc/48/12/67/506481267.db2.gz HZALUNHCLVHFAD-QFIPXVFZSA-N 2 0 365.521 3.277 20 0 FGADRP CC(C)C[C@@H](C[NH+](C)C)NC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000612211067 506485011 /nfs/dbraw/zinc/48/50/11/506485011.db2.gz GWRQICVYRHPPMA-NRFANRHFSA-N 2 0 374.573 3.448 20 0 FGADRP C[C@@H](CCc1ccc(I)cc1)[NH2+]CCC1(C[NH3+])CC1 ZINC000593320489 506538534 /nfs/dbraw/zinc/53/85/34/506538534.db2.gz SKIRANNBFAHBFZ-ZDUSSCGKSA-N 2 0 372.294 3.331 20 0 FGADRP CCC(CC)(CNC(=O)N[C@H]1CCC[N@H+](C)C1)[NH2+][C@@H](C)c1ccccc1 ZINC000603593415 506569482 /nfs/dbraw/zinc/56/94/82/506569482.db2.gz GYSMHZCPCJAWJU-HKUYNNGSSA-N 2 0 360.546 3.289 20 0 FGADRP Cc1ccc(CCC[N@@H+](C)CCN2CC[NH+](Cc3ccccc3)CC2)cn1 ZINC000583232284 506662310 /nfs/dbraw/zinc/66/23/10/506662310.db2.gz UFPLJIYUJFHPBD-UHFFFAOYSA-N 2 0 366.553 3.072 20 0 FGADRP O[C@H](C[NH2+]Cc1ccccc1C[NH+]1CCCC1)COc1ccccc1Cl ZINC000583258897 506681727 /nfs/dbraw/zinc/68/17/27/506681727.db2.gz VJBSOYYLTWUJED-LJQANCHMSA-N 2 0 374.912 3.465 20 0 FGADRP [NH3+][C@@H]1CCO[C@@H](C2CC[NH+](Cc3cccc(-c4ccncc4)c3)CC2)C1 ZINC000583310227 506710844 /nfs/dbraw/zinc/71/08/44/506710844.db2.gz WUHJILXZRRDORD-FGZHOGPDSA-N 2 0 351.494 3.467 20 0 FGADRP Cc1cccc(CN(CC[NH+](C)C)C(=O)NC[C@@H](C)[N@@H+]2CCCC[C@H]2C)c1 ZINC000604171468 506734496 /nfs/dbraw/zinc/73/44/96/506734496.db2.gz NUINIBVQJFKXDR-WOJBJXKFSA-N 2 0 374.573 3.331 20 0 FGADRP C[C@H]1CCC[N@H+](CCNC(=O)N[C@@H](C[NH+]2CCCCC2)c2ccccc2)C1 ZINC000604171436 506734804 /nfs/dbraw/zinc/73/48/04/506734804.db2.gz KWQFAVUUQZGZJW-FPOVZHCZSA-N 2 0 372.557 3.245 20 0 FGADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)N[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000604170466 506734846 /nfs/dbraw/zinc/73/48/46/506734846.db2.gz CDNMUMKRSNZYPA-PZJWPPBQSA-N 2 0 372.557 3.387 20 0 FGADRP C[NH+]1CCC(CCNC(=O)N[C@@H](C[NH+]2CCCCC2)c2ccccc2)CC1 ZINC000604190663 506743448 /nfs/dbraw/zinc/74/34/48/506743448.db2.gz HOQUZFGSLDGVFH-NRFANRHFSA-N 2 0 372.557 3.245 20 0 FGADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)N[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000604195897 506746960 /nfs/dbraw/zinc/74/69/60/506746960.db2.gz WYJMGMYGJJPOSM-LEWJYISDSA-N 2 0 372.557 3.387 20 0 FGADRP CCOC(=O)c1cccc(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)n1 ZINC000600120767 506786786 /nfs/dbraw/zinc/78/67/86/506786786.db2.gz OEUWOANZODHBIK-UHFFFAOYSA-N 2 0 359.514 3.346 20 0 FGADRP CN(CC[N@H+](C)Cc1cccc(-c2ccccn2)c1)C1CC[NH+](C)CC1 ZINC000583527061 506828068 /nfs/dbraw/zinc/82/80/68/506828068.db2.gz MBPKPZLKFYXMMM-UHFFFAOYSA-N 2 0 352.526 3.206 20 0 FGADRP CCCC[N@H+](CC)Cc1cccc(CNC(=O)N[C@H]2CC23CC[NH2+]CC3)c1 ZINC000612975574 506846771 /nfs/dbraw/zinc/84/67/71/506846771.db2.gz DUWUNLRDIQZFBM-FQEVSTJZSA-N 2 0 372.557 3.250 20 0 FGADRP C[NH+]1CCC([C@@H]2CCN(C(=O)[C@H](C[NH+]3CCCC3)c3ccccc3)C2)CC1 ZINC000612999905 506858881 /nfs/dbraw/zinc/85/88/81/506858881.db2.gz UMTIBDYGSGOONC-FGZHOGPDSA-N 2 0 369.553 3.056 20 0 FGADRP CC(C)C[NH+]1CCC(NC(=O)N2CC[NH+](C3CCC(C)CC3)CC2)CC1 ZINC000604580121 506881513 /nfs/dbraw/zinc/88/15/13/506881513.db2.gz PUVSKFIXSBNGNF-UHFFFAOYSA-N 2 0 364.578 3.013 20 0 FGADRP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)N[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000604656139 506903324 /nfs/dbraw/zinc/90/33/24/506903324.db2.gz CYIFTPMVNDXWJB-FPOVZHCZSA-N 2 0 372.557 3.197 20 0 FGADRP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]C[C@@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000583688609 506918307 /nfs/dbraw/zinc/91/83/07/506918307.db2.gz RSMZZQOQRDJDNB-BFHYXJOUSA-N 2 0 361.313 3.196 20 0 FGADRP C[NH+](C)CC[C@@H](NC(=O)C1CC[NH+](Cc2ccccc2)CC1)C(C)(C)C ZINC000604728132 506920316 /nfs/dbraw/zinc/92/03/16/506920316.db2.gz LAPLHLXIDSGORV-HXUWFJFHSA-N 2 0 359.558 3.381 20 0 FGADRP C[C@@H](CNC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)[N@H+](C)Cc1ccccc1 ZINC000604784941 506943154 /nfs/dbraw/zinc/94/31/54/506943154.db2.gz HTRIHBKJLMCYFF-PKOBYXMFSA-N 2 0 362.562 3.173 20 0 FGADRP CC(C)[N@H+](C)CC1CC[NH+]([C@@H](C)C(=O)NCc2ccc(Cl)cc2)CC1 ZINC000590786777 506957770 /nfs/dbraw/zinc/95/77/70/506957770.db2.gz MMMMCCCVFAEFBZ-INIZCTEOSA-N 2 0 365.949 3.397 20 0 FGADRP COC[C@](C)(O)C[NH2+][C@H](CCC[NH+]1CCC(C)CC1)c1ccc(F)cc1 ZINC000584087379 507145152 /nfs/dbraw/zinc/14/51/52/507145152.db2.gz XAHKNLMGKCEXKT-NHCUHLMSSA-N 2 0 366.521 3.366 20 0 FGADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000600887429 507161889 /nfs/dbraw/zinc/16/18/89/507161889.db2.gz KIOWWDJOXJGVEP-QUCCMNQESA-N 2 0 374.573 3.489 20 0 FGADRP CC(C)[NH2+][C@@H]1CCCN(C(=O)[C@H](C)[NH+]2CCC(Cc3ccccc3)CC2)C1 ZINC000600980883 507214201 /nfs/dbraw/zinc/21/42/01/507214201.db2.gz MPDDPVWBAZHXJP-SIKLNZKXSA-N 2 0 371.569 3.319 20 0 FGADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)[C@H](C)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000605518995 507228625 /nfs/dbraw/zinc/22/86/25/507228625.db2.gz QCGCQPNAVPWFCC-UGKGYDQZSA-N 2 0 371.569 3.320 20 0 FGADRP COc1cc(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)cc(OC)c1O ZINC000584258821 507240253 /nfs/dbraw/zinc/24/02/53/507240253.db2.gz JBLQDULMYYRZOL-UHFFFAOYSA-N 2 0 362.514 3.497 20 0 FGADRP CN1CC[C@H]([NH2+]Cc2ccc3c(c2)C[NH2+]CC3)[C@H]1c1ccc(F)c(F)c1 ZINC000584296703 507264919 /nfs/dbraw/zinc/26/49/19/507264919.db2.gz FCZNTALALWUZDU-LEWJYISDSA-N 2 0 357.448 3.146 20 0 FGADRP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000591573621 507297374 /nfs/dbraw/zinc/29/73/74/507297374.db2.gz GCUCLVIFIAPHMY-WCIQWLHISA-N 2 0 364.578 3.013 20 0 FGADRP C[C@H]([NH3+])c1ccc(C(=O)N(C)CCC2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000584353780 507299007 /nfs/dbraw/zinc/29/90/07/507299007.db2.gz PBINMIADUJILEY-KRWDZBQOSA-N 2 0 366.509 3.480 20 0 FGADRP COc1ccc(C)cc1NC(=O)[C@H](c1ccccc1)N1CCC[C@@H](C[NH3+])C1 ZINC000584409846 507330474 /nfs/dbraw/zinc/33/04/74/507330474.db2.gz BGHHWVSVSCJGRN-UWJYYQICSA-N 2 0 367.493 3.354 20 0 FGADRP C[C@H](C[NH2+]Cc1ccc(N(C)c2ccccc2)cc1)CN1CC[NH+](C)CC1 ZINC000591700503 507334623 /nfs/dbraw/zinc/33/46/23/507334623.db2.gz FESQRMOMRRDADS-HXUWFJFHSA-N 2 0 366.553 3.428 20 0 FGADRP C[N@@H+]1CCC[C@@H](C[NH2+][C@H]2CCc3ccc(I)cc32)C1 ZINC000595015364 507356052 /nfs/dbraw/zinc/35/60/52/507356052.db2.gz CQTTUJQKKRONGT-LRDDRELGSA-N 2 0 370.278 3.210 20 0 FGADRP C[C@@H]([NH2+]CCc1ccc(I)cc1)C1CC[NH+](C)CC1 ZINC000595093367 507388890 /nfs/dbraw/zinc/38/88/90/507388890.db2.gz AMIPJQRHBFFFIM-CYBMUJFWSA-N 2 0 372.294 3.154 20 0 FGADRP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(C[NH2+]C[C@H]3CNc4ccnn4C3)cc2)C1 ZINC000595139034 507406179 /nfs/dbraw/zinc/40/61/79/507406179.db2.gz GLOISDLKLQSZQF-OPYAIIAOSA-N 2 0 367.541 3.193 20 0 FGADRP CCc1ccc([C@H](C)NC(=O)CN2CCC[C@@H]([NH+]3CCCC3)CC2)cc1 ZINC000606447826 507408178 /nfs/dbraw/zinc/40/81/78/507408178.db2.gz ZLDGNNSAUNGIEC-GHTZIAJQSA-N 2 0 357.542 3.377 20 0 FGADRP CCOC(=O)c1ccc(-c2ccc(C[NH2+]CC3=CC[N@H+](C)CC3)o2)cc1 ZINC000614243330 507423429 /nfs/dbraw/zinc/42/34/29/507423429.db2.gz HLMNCMZMMPQTHD-UHFFFAOYSA-N 2 0 354.450 3.475 20 0 FGADRP C[NH+](C)CCN(CC1CCCCC1)C(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000606626105 507457350 /nfs/dbraw/zinc/45/73/50/507457350.db2.gz VSNJVVBURIBUBF-UHFFFAOYSA-N 2 0 374.573 3.402 20 0 FGADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCC1(c2ccccc2)CCCCC1 ZINC000607232192 507663012 /nfs/dbraw/zinc/66/30/12/507663012.db2.gz FMKNFNXTAFXSIM-UHFFFAOYSA-N 2 0 374.573 3.023 20 0 FGADRP CCC[NH+]1CCN(c2ccccc2CNc2cccc(N(C)C)[nH+]2)CC1 ZINC000541014253 516829844 /nfs/dbraw/zinc/82/98/44/516829844.db2.gz GMYYRKXNPGXCGI-UHFFFAOYSA-N 2 0 353.514 3.292 20 0 FGADRP Cc1c(NC[C@H]2CC[NH+]2C(C)(C)C)ncnc1NC[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000630095184 522615217 /nfs/dbraw/zinc/61/52/17/522615217.db2.gz VPRUDMBMYSRSBL-CALCHBBNSA-N 2 0 374.577 3.354 20 0 FGADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)NC[C@H]2CCCC[NH2+]2)cc1 ZINC000669117842 568042705 /nfs/dbraw/zinc/04/27/05/568042705.db2.gz ULORBMAMQCJHLM-FXAWDEMLSA-N 2 0 358.530 3.002 20 0 FGADRP CC1CC[NH+](CCCC[NH2+][C@@H]2CCCc3cc(-c4nn[nH]n4)ccc32)CC1 ZINC000824954973 608501690 /nfs/dbraw/zinc/50/16/90/608501690.db2.gz NGPBZISMOMBUFI-HXUWFJFHSA-N 2 0 368.529 3.346 20 0 FGADRP C[N@H+](CC[C@@H]1CCCC[NH+]1C)C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000075859914 700219167 /nfs/dbraw/zinc/21/91/67/700219167.db2.gz KCAYHOSZXFBXSY-ROUUACIJSA-N 2 0 353.551 3.440 20 0 FGADRP CCC[N@H+](C)C[C@H]1CC[NH+](C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000081571049 700337934 /nfs/dbraw/zinc/33/79/34/700337934.db2.gz KPHJCBUELCULDO-ZWKOTPCHSA-N 2 0 353.551 3.297 20 0 FGADRP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](CCCNC(=O)C(F)(F)F)CC1 ZINC000091592785 700422523 /nfs/dbraw/zinc/42/25/23/700422523.db2.gz PWSQBUGXARHLRK-HNNXBMFYSA-N 2 0 363.468 3.032 20 0 FGADRP C[C@H]([NH2+][C@@H]1CCCC[C@@H]1CNC(=O)OC(C)(C)C)C1CC[NH+](C)CC1 ZINC000122386293 700688944 /nfs/dbraw/zinc/68/89/44/700688944.db2.gz DXYGQGKAKXHUGW-CGTJXYLNSA-N 2 0 353.551 3.390 20 0 FGADRP C[NH+](C)CCC1CC[NH+](C[C@@H](O)c2cccc(Br)c2)CC1 ZINC000124140806 700715700 /nfs/dbraw/zinc/71/57/00/700715700.db2.gz WWAOESITQHTNPA-QGZVFWFLSA-N 2 0 355.320 3.146 20 0 FGADRP C[C@H]([NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1)c1ccnc(Cl)c1 ZINC000124719293 700724006 /nfs/dbraw/zinc/72/40/06/700724006.db2.gz JWNSRYMBZIRVNJ-INIZCTEOSA-N 2 0 350.938 3.336 20 0 FGADRP C[C@@H]([NH2+][C@H]1CCN(c2ccccc2OC(F)F)C1)C1CC[NH+](C)CC1 ZINC000128063605 700770265 /nfs/dbraw/zinc/77/02/65/700770265.db2.gz DAJNDULXDZITAE-ZBFHGGJFSA-N 2 0 353.457 3.187 20 0 FGADRP C[NH+](C)CCCCCCCNC(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000137478457 704870623 /nfs/dbraw/zinc/87/06/23/704870623.db2.gz QUUYKOGYGUVYTP-UHFFFAOYSA-N 2 0 352.567 3.158 20 0 FGADRP CC[NH+]1CCC(CC[NH2+]CC2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000150845623 704903187 /nfs/dbraw/zinc/90/31/87/704903187.db2.gz NZNRWHFPYGJSOG-UHFFFAOYSA-N 2 0 353.551 3.345 20 0 FGADRP CC(C)(C)OC(=O)N1CC[C@H](C[NH+]2CCC(C[NH+]3CCCC3)CC2)C1 ZINC000172779334 705429408 /nfs/dbraw/zinc/42/94/08/705429408.db2.gz FEJPWGCLFIZTGB-GOSISDBHSA-N 2 0 351.535 3.051 20 0 FGADRP C[NH+](C)CCCC1CC[NH+](C[C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000179702539 705710823 /nfs/dbraw/zinc/71/08/23/705710823.db2.gz XGYUOTPMDMRFSI-GOSISDBHSA-N 2 0 353.551 3.297 20 0 FGADRP CC(C)(C)[S@](=O)CC[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000183143409 705879570 /nfs/dbraw/zinc/87/95/70/705879570.db2.gz JZVYTMNWGDVJLK-UVPKRVSESA-N 2 0 362.583 3.424 20 0 FGADRP CC[NH+]1CCC(CC[NH2+][C@@H]2CCCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000183532969 705889695 /nfs/dbraw/zinc/88/96/95/705889695.db2.gz GDICYFSQJXXCIY-GOSISDBHSA-N 2 0 353.551 3.488 20 0 FGADRP C[C@@H](NC(=O)OC(C)(C)C)C1CC[NH+](CCC[NH+]2CCCCC2)CC1 ZINC000189017596 712783942 /nfs/dbraw/zinc/78/39/42/712783942.db2.gz LKXWMJNAPSVQAN-QGZVFWFLSA-N 2 0 353.551 3.488 20 0 FGADRP C[C@@H](CC[NH2+]C[C@]1(C)CCN(C(=O)OC(C)(C)C)C1)[NH+]1CCCCC1 ZINC000195222961 713549921 /nfs/dbraw/zinc/54/99/21/713549921.db2.gz MUSXACNUDQTWAL-PXNSSMCTSA-N 2 0 353.551 3.488 20 0 FGADRP CC(C)(C)OC(=O)N1CC[C@@](C)(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)C1 ZINC000248667098 713656139 /nfs/dbraw/zinc/65/61/39/713656139.db2.gz PGRDKAYGDWWBKW-PXNSSMCTSA-N 2 0 351.535 3.051 20 0 FGADRP Cc1nnc([C@@H](C)[NH2+]CCCCC[NH2+][C@H](C)c2nnc(C)s2)s1 ZINC000273624936 713754217 /nfs/dbraw/zinc/75/42/17/713754217.db2.gz REVMAOZXRUCBAD-GHMZBOCLSA-N 2 0 354.549 3.178 20 0 FGADRP COCC[C@H]1CCC[C@@H]1[NH2+]CC1(N2CC[NH+](C)CC2)CCCCCC1 ZINC000374287728 713910899 /nfs/dbraw/zinc/91/08/99/713910899.db2.gz MPSWHOLQYWYCJU-UXHICEINSA-N 2 0 351.579 3.122 20 0 FGADRP CC(C)[N@@H+]1CC[C@H](C[NH2+][C@H](C)C[C@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000384462084 713982148 /nfs/dbraw/zinc/98/21/48/713982148.db2.gz BAXBERLKXYAXQN-KZNAEPCWSA-N 2 0 353.551 3.484 20 0 FGADRP CC(C)(C)OC(=O)N1CCC[C@](C)(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000385979339 713984255 /nfs/dbraw/zinc/98/42/55/713984255.db2.gz NWBRRJIRQYMPMU-MBOZVWFJSA-N 2 0 351.535 3.240 20 0 FGADRP CC(C)[N@H+](C)CCNC(=O)NC[C@@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000522411797 714187075 /nfs/dbraw/zinc/18/70/75/714187075.db2.gz IWCOJRWEWFKMQX-KRWDZBQOSA-N 2 0 366.575 3.161 20 0 FGADRP C[N@@H+](Cc1ccc(I)cc1)C[C@H]1CCC[NH+](C)C1 ZINC000525274797 714339544 /nfs/dbraw/zinc/33/95/44/714339544.db2.gz KVGPHHSPJFRLTE-AWEZNQCLSA-N 2 0 358.267 3.065 20 0 FGADRP CSC1(C[NH2+][C@H](C)c2cnn(Cc3ccccc3)c2)CC[NH+](C)CC1 ZINC000573530104 714451864 /nfs/dbraw/zinc/45/18/64/714451864.db2.gz RLRPELRKZSNSAH-QGZVFWFLSA-N 2 0 358.555 3.409 20 0 FGADRP COC(=O)c1ccc(-c2nc(C[NH+]3CCC(CC[NH3+])CC3)cs2)cc1 ZINC000574579025 714453253 /nfs/dbraw/zinc/45/32/53/714453253.db2.gz WPLRLQWZQVJGOG-UHFFFAOYSA-N 2 0 359.495 3.158 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1ncsc1C(C)C ZINC000577022988 714460724 /nfs/dbraw/zinc/46/07/24/714460724.db2.gz TWLCJMUGWXRQJT-HNNXBMFYSA-N 2 0 367.563 3.146 20 0 FGADRP CN1CCC([NH+]2CCC(CC[N@H+](C)Cc3cncc(Cl)c3)CC2)CC1 ZINC000621262366 714975213 /nfs/dbraw/zinc/97/52/13/714975213.db2.gz ZJEXPNCOFILUER-UHFFFAOYSA-N 2 0 364.965 3.363 20 0 FGADRP CC1CC[NH+]([C@@H](CNC(=O)CC[C@H]2CCC[NH2+]C2)c2cccs2)CC1 ZINC000621641143 715013679 /nfs/dbraw/zinc/01/36/79/715013679.db2.gz BESPDYUHRMHKBH-MSOLQXFVSA-N 2 0 363.571 3.417 20 0 FGADRP COc1cc(Cl)ccc1[C@@H](C)[NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000643346119 718025872 /nfs/dbraw/zinc/02/58/72/718025872.db2.gz AHAHSFOMKHMVRJ-GDBMZVCRSA-N 2 0 351.922 3.168 20 0 FGADRP C[N@@H+]1CC[C@H]([NH2+]C[C@@H](c2ccc(Cl)cc2)N2CCOCC2)CC1(C)C ZINC000623384103 715323289 /nfs/dbraw/zinc/32/32/89/715323289.db2.gz OUWHEOIWXURNBC-OALUTQOASA-N 2 0 365.949 3.176 20 0 FGADRP C[N@@H+]1CC[C@@H]([NH2+]CCC(=O)Nc2ccc(Br)cc2)CC1(C)C ZINC000623392699 715325366 /nfs/dbraw/zinc/32/53/66/715325366.db2.gz NAWCVZFWFIMTIL-OAHLLOKOSA-N 2 0 368.319 3.240 20 0 FGADRP C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]C[C@H]1CCCC[N@H+](C)C1 ZINC000624121306 715477545 /nfs/dbraw/zinc/47/75/45/715477545.db2.gz SVZKIDAQZAXBIK-SJLPKXTDSA-N 2 0 365.949 3.399 20 0 FGADRP O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)[C@H]1CCCN1Cc1ccc(Cl)cc1 ZINC000624255874 715500857 /nfs/dbraw/zinc/50/08/57/715500857.db2.gz WNLBGFKUWDSSGZ-CEXWTWQISA-N 2 0 361.917 3.047 20 0 FGADRP C[NH+](C)C[C@H](NC(=O)NC[C@@H]1CCCC[NH2+]1)c1ccc(Cl)c(Cl)c1 ZINC000627066316 715991615 /nfs/dbraw/zinc/99/16/15/715991615.db2.gz RULDIDILCSKTRA-BBRMVZONSA-N 2 0 373.328 3.037 20 0 FGADRP FC(F)(F)c1cccc(CC[N@@H+]2CCC[C@H](N3CCOCC3)CC2)c1 ZINC000628328700 716139371 /nfs/dbraw/zinc/13/93/71/716139371.db2.gz SUTJDCDVHIOICD-SFHVURJKSA-N 2 0 356.432 3.435 20 0 FGADRP COC[C@@H](CCC[NH3+])[NH2+][C@H](C)c1cc(F)c(Br)cc1F ZINC000629515236 716302004 /nfs/dbraw/zinc/30/20/04/716302004.db2.gz NHESNVSQKXLQGE-NXEZZACHSA-N 2 0 351.235 3.132 20 0 FGADRP Clc1ccc(N2CCO[C@H](C[NH2+][C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)C2)cc1 ZINC000629523108 716302982 /nfs/dbraw/zinc/30/29/82/716302982.db2.gz KFUXUBZFNBYFAX-UAFMIMERSA-N 2 0 363.933 3.056 20 0 FGADRP O[C@@H](C[NH2+]CC1(c2cccc(C(F)(F)F)c2)CCC1)C[NH+]1CCCC1 ZINC000629567506 716311125 /nfs/dbraw/zinc/31/11/25/716311125.db2.gz XZQQUZVYNAZZFG-KRWDZBQOSA-N 2 0 356.432 3.173 20 0 FGADRP C[NH+](C)[C@H](CNC(=O)N1CCC(C)([NH+]2CCCC2)CC1)c1cccs1 ZINC000630402529 716444375 /nfs/dbraw/zinc/44/43/75/716444375.db2.gz ZHGQUCATQPKEBI-MRXNPFEDSA-N 2 0 364.559 3.011 20 0 FGADRP CC(C)[C@H](C[NH2+]Cc1ccc(CC(F)(F)F)cc1)N1CC[NH+](C)CC1 ZINC000631038705 716552176 /nfs/dbraw/zinc/55/21/76/716552176.db2.gz HRNGFGKOISGVDK-SFHVURJKSA-N 2 0 357.464 3.153 20 0 FGADRP O[C@H]1CCC[C@H]1[NH+]1CCC([NH2+]Cc2ccc(CC(F)(F)F)cc2)CC1 ZINC000631091414 716563542 /nfs/dbraw/zinc/56/35/42/716563542.db2.gz MOADIDJXWGEVFA-MSOLQXFVSA-N 2 0 356.432 3.259 20 0 FGADRP C[C@H]([NH2+]Cc1ccc(OCC[NH+](C)C)cc1)[C@H]1OCCc2sccc21 ZINC000644446181 718112668 /nfs/dbraw/zinc/11/26/68/718112668.db2.gz KHMYRUQENAHKHP-MGPUTAFESA-N 2 0 360.523 3.481 20 0 FGADRP CCC[N@@H+]1CC[C@@H](C[NH2+]C[C@H](O)COc2ccc(Cl)c(Cl)c2)C1 ZINC000644530066 718119187 /nfs/dbraw/zinc/11/91/87/718119187.db2.gz LTZJXHYBJJHJOI-KBPBESRZSA-N 2 0 361.313 3.055 20 0 FGADRP CCC[N@H+](C)[C@@H](CNC(=O)C1([NH+](C)C)CCC1)c1ccc(Cl)cc1 ZINC000804126608 724487950 /nfs/dbraw/zinc/48/79/50/724487950.db2.gz ARAORJLBUSEYGY-KRWDZBQOSA-N 2 0 351.922 3.323 20 0 FGADRP C[N@H+](CCC[C@@H]1CCOC1)[C@@H]1CCC[NH+](CCC[C@@H]2CCOC2)CC1 ZINC000645839681 718245565 /nfs/dbraw/zinc/24/55/65/718245565.db2.gz XSLYWQBDBJCGRR-NJDAHSKKSA-N 2 0 352.563 3.406 20 0 FGADRP Cc1nn2c(C[N@@H+]3CCC[C@@H]([C@H]4CCC[NH2+]C4)C3)c(C(C)C)nc2s1 ZINC000647544028 718366791 /nfs/dbraw/zinc/36/67/91/718366791.db2.gz VPGSLNZGUCOHGR-JKSUJKDBSA-N 2 0 361.559 3.434 20 0 FGADRP COc1ccc(Br)cc1C1([NH2+]C[C@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000647552691 718367406 /nfs/dbraw/zinc/36/74/06/718367406.db2.gz QWIDERSOMPWLGP-STQMWFEESA-N 2 0 353.304 3.425 20 0 FGADRP Brc1cccc(N2CC[C@H]([NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@@H]4C3)C2)c1 ZINC000647795248 718378181 /nfs/dbraw/zinc/37/81/81/718378181.db2.gz MFKMCVDURLUCRS-DIECFANBSA-N 2 0 364.331 3.006 20 0 FGADRP COc1cc(Br)ccc1[C@H](C)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000647795692 718378230 /nfs/dbraw/zinc/37/82/30/718378230.db2.gz UAIKKHXYBWFMJQ-RMRHIDDWSA-N 2 0 353.304 3.496 20 0 FGADRP COc1ccc(Cl)cc1NC(=O)CC[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000647901191 718385290 /nfs/dbraw/zinc/38/52/90/718385290.db2.gz KQFAPMRUPNOASB-GDBMZVCRSA-N 2 0 365.905 3.141 20 0 FGADRP O=C(CC[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1)Nc1ccc(Cl)cc1F ZINC000647902062 718385479 /nfs/dbraw/zinc/38/54/79/718385479.db2.gz ZIHIJOCKJJSPPF-XJKSGUPXSA-N 2 0 353.869 3.272 20 0 FGADRP C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000647970660 718390600 /nfs/dbraw/zinc/39/06/00/718390600.db2.gz TURMPAIITSQCQK-YJBOKZPZSA-N 2 0 363.933 3.181 20 0 FGADRP O=C1[C@@H]([NH+]2CCC3(CC[NH2+]C3)CC2)CCN1c1ccc(Cl)c(Cl)c1 ZINC000647975146 718390912 /nfs/dbraw/zinc/39/09/12/718390912.db2.gz MVUKPBSIAUORAQ-INIZCTEOSA-N 2 0 368.308 3.174 20 0 FGADRP Clc1ccc(-n2cc(C[N@@H+]3CCC[C@@H]([C@H]4CCC[NH2+]C4)C3)nn2)cc1 ZINC000647978647 718391709 /nfs/dbraw/zinc/39/17/09/718391709.db2.gz WHAMQBLPHLKSSP-JKSUJKDBSA-N 2 0 359.905 3.132 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)c1ccccc1Cl ZINC000648724378 718446738 /nfs/dbraw/zinc/44/67/38/718446738.db2.gz VXFMPNMQTZYCOU-IIDMSEBBSA-N 2 0 351.922 3.179 20 0 FGADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)[C@@H]2C[NH2+]CCC2(F)F)cc1 ZINC000649288277 718501141 /nfs/dbraw/zinc/50/11/41/718501141.db2.gz HHCCCFOEDCFUJG-YOEHRIQHSA-N 2 0 351.441 3.244 20 0 FGADRP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)[C@@H]([NH3+])c2cccc(Cl)c2)C1 ZINC000649295529 718502312 /nfs/dbraw/zinc/50/23/12/718502312.db2.gz UIUGGZAMVHCXSE-RKVPGOIHSA-N 2 0 351.922 3.214 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)[C@H]([NH3+])c2cccc(Cl)c2)C1 ZINC000649311554 718503448 /nfs/dbraw/zinc/50/34/48/718503448.db2.gz ZFEAMDCAHLFXLJ-GPMSIDNRSA-N 2 0 363.933 3.453 20 0 FGADRP C[C@H]1COCCCN1Cc1cc(C[N@@H+]2CCCOC[C@@H]2C)ccc1F ZINC000649391552 718510723 /nfs/dbraw/zinc/51/07/23/718510723.db2.gz QOJUTXDCFQXQCR-IRXDYDNUSA-N 2 0 350.478 3.047 20 0 FGADRP COc1ccc(C[N@@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)c(Cl)c1OC ZINC000650706343 718716754 /nfs/dbraw/zinc/71/67/54/718716754.db2.gz IZFNDOKZXDROJL-LXZKKBNFSA-N 2 0 368.905 3.076 20 0 FGADRP Cc1ccc(C[N@@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)cc1Br ZINC000650707719 718717578 /nfs/dbraw/zinc/71/75/78/718717578.db2.gz LTKMHAQGUFNNOF-LZLYRXPVSA-N 2 0 367.331 3.476 20 0 FGADRP CCOc1c(Cl)cccc1C[N@@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000650707928 718717732 /nfs/dbraw/zinc/71/77/32/718717732.db2.gz QDICMGHYXICPAE-QILLFSRXSA-N 2 0 352.906 3.457 20 0 FGADRP COc1ccc2nc(C[N@@H+]3CCC[C@H]([C@@H]4C[C@@H]([NH3+])CCO4)C3)sc2c1 ZINC000650707485 718717759 /nfs/dbraw/zinc/71/77/59/718717759.db2.gz HAXHHTZNFKRYCA-ZQIUZPCESA-N 2 0 361.511 3.023 20 0 FGADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2Cc2cccc(O)c2Br)C1 ZINC000650725290 718721361 /nfs/dbraw/zinc/72/13/61/718721361.db2.gz XQGSKZXEDANDLL-FMKPAKJESA-N 2 0 369.303 3.016 20 0 FGADRP CC[N@H+](CCCNC(=O)NCC[C@H]1CCC[NH+](C)C1)C1CCCCC1 ZINC000651153076 718774208 /nfs/dbraw/zinc/77/42/08/718774208.db2.gz YJHSZKUXQDOCBW-GOSISDBHSA-N 2 0 352.567 3.062 20 0 FGADRP CN(C)CC[NH+]1CCC(C[NH2+][C@H]2CCc3ccc(F)c(Cl)c32)CC1 ZINC000651706198 718853130 /nfs/dbraw/zinc/85/31/30/718853130.db2.gz WGZVKSBGSKBACM-KRWDZBQOSA-N 2 0 353.913 3.330 20 0 FGADRP C[C@H](c1ccc(Cl)cc1)N(C)C(=O)C[N@@H+]1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000652355300 718936394 /nfs/dbraw/zinc/93/63/94/718936394.db2.gz UDWFPOXTIBJOQF-RKVPGOIHSA-N 2 0 351.922 3.309 20 0 FGADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@@H+]2CCC(=O)Nc2cccc(Cl)c2)C1 ZINC000652361661 718936868 /nfs/dbraw/zinc/93/68/68/718936868.db2.gz LXPKQQBRJXTVMN-BPQIPLTHSA-N 2 0 365.905 3.029 20 0 FGADRP O=C(NC[C@H]1CCCC[NH2+]1)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000652613618 718966392 /nfs/dbraw/zinc/96/63/92/718966392.db2.gz XLOLYDGGWRMFSX-QGZVFWFLSA-N 2 0 362.543 3.138 20 0 FGADRP O=C(Nc1ccc(SCC[NH+]2CCCC2)cc1)N[C@H]1CCC[NH2+]CC1 ZINC000652614247 718966857 /nfs/dbraw/zinc/96/68/57/718966857.db2.gz SNWQEMDRHTXEDG-INIZCTEOSA-N 2 0 362.543 3.138 20 0 FGADRP O=C(Nc1ccc(SCC[NH+]2CCCC2)cc1)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000652870827 718986692 /nfs/dbraw/zinc/98/66/92/718986692.db2.gz MJHRJXYAANAMRT-IBGZPJMESA-N 2 0 359.539 3.440 20 0 FGADRP CC(C)[C@@H](CNC1CC[NH+](C[C@H]2CCCO2)CC1)[NH+]1CCCCCC1 ZINC000655687454 719325542 /nfs/dbraw/zinc/32/55/42/719325542.db2.gz PKMZIKFXPYNOJN-NHCUHLMSSA-N 2 0 351.579 3.120 20 0 FGADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)C1 ZINC000655827271 719345160 /nfs/dbraw/zinc/34/51/60/719345160.db2.gz PPUMDSMHLXRGAM-FZNQNYSPSA-N 2 0 352.404 3.321 20 0 FGADRP C[NH+](C)CCCOc1cnccc1C[NH2+]Cc1cc2ccncc2s1 ZINC000657470174 719656753 /nfs/dbraw/zinc/65/67/53/719656753.db2.gz ZATRBQNQABAEON-UHFFFAOYSA-N 2 0 356.495 3.312 20 0 FGADRP C[C@@H]1CCCN(CCC[NH+]2CCCCC2)[C@H]1CNC(=O)OC(C)(C)C ZINC000781898476 724608768 /nfs/dbraw/zinc/60/87/68/724608768.db2.gz LXVQKKDZUQDCHC-MSOLQXFVSA-N 2 0 353.551 3.488 20 0 FGADRP Clc1cnc2oc(C[NH2+]CC3CC[NH+](C4CCOCC4)CC3)cc2c1 ZINC000657537228 719667886 /nfs/dbraw/zinc/66/78/86/719667886.db2.gz DOGYCAFVNBVRLM-UHFFFAOYSA-N 2 0 363.889 3.462 20 0 FGADRP CC[C@@H]1C[N@H+](CCC[NH+]2CCCCC2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000781903693 724610069 /nfs/dbraw/zinc/61/00/69/724610069.db2.gz HEWCMBNPTUCJKV-QZTJIDSGSA-N 2 0 353.551 3.488 20 0 FGADRP COC[C@H](CC1CCOCC1)[NH2+]CC1CC[NH+](Cc2cccs2)CC1 ZINC000657860717 719722525 /nfs/dbraw/zinc/72/25/25/719722525.db2.gz KYOPPQRCBAXYCF-IBGZPJMESA-N 2 0 366.571 3.381 20 0 FGADRP CCO[C@H]1C[C@H]([NH2+]CC2CC[NH+](C3CCOCC3)CC2)C1(CC)CC ZINC000658067148 719750563 /nfs/dbraw/zinc/75/05/63/719750563.db2.gz KNFMIBKWFCLHGH-PMACEKPBSA-N 2 0 352.563 3.451 20 0 FGADRP CCO[C@@H]1C[C@@H]([NH2+]CC2CC[NH+](C3CCOCC3)CC2)C1(CC)CC ZINC000658067151 719750579 /nfs/dbraw/zinc/75/05/79/719750579.db2.gz KNFMIBKWFCLHGH-WOJBJXKFSA-N 2 0 352.563 3.451 20 0 FGADRP CO[C@@H]1CCC[C@H]([C@H](CO)[NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3C)CC2)C1 ZINC000658113950 719759302 /nfs/dbraw/zinc/75/93/02/719759302.db2.gz IQCRATHKAYUNBX-LXDWIVHCSA-N 2 0 352.563 3.185 20 0 FGADRP CCc1nc(C)c([C@H](C)[NH2+]Cc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)s1 ZINC000658137546 719761907 /nfs/dbraw/zinc/76/19/07/719761907.db2.gz HJKQZSIHDOJUKT-KSSFIOAISA-N 2 0 359.539 3.431 20 0 FGADRP FC1(F)C[C@@H]1OCC[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000658166591 719765201 /nfs/dbraw/zinc/76/52/01/719765201.db2.gz BOGQNOIVJIIKDL-OKYOBFRVSA-N 2 0 350.453 3.301 20 0 FGADRP FC1(F)C[C@@H]1OCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000658169998 719765808 /nfs/dbraw/zinc/76/58/08/719765808.db2.gz OOVAWVYWZAEWDV-YRXWBPOGSA-N 2 0 350.453 3.443 20 0 FGADRP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)CC3(O)CCSCC3)C2)s1 ZINC000660497952 720060960 /nfs/dbraw/zinc/06/09/60/720060960.db2.gz UULKNYHMGYIGCC-INIZCTEOSA-N 2 0 354.585 3.068 20 0 FGADRP CC[NH+](CC)CCN(CCC(F)(F)F)Cc1cccc2c1CC[NH2+]C2 ZINC000662264075 720406634 /nfs/dbraw/zinc/40/66/34/720406634.db2.gz PQZBIDBPYUSVID-UHFFFAOYSA-N 2 0 357.464 3.429 20 0 FGADRP Cc1cc([C@H]2CCC[N@@H+]2C[C@H]2CCC3(C[NH2+]C3)O2)ccc1Br ZINC000662281604 720409581 /nfs/dbraw/zinc/40/95/81/720409581.db2.gz YOSNHMFEGNROKB-NVXWUHKLSA-N 2 0 365.315 3.415 20 0 FGADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@H+](Cc3cccc(F)c3OC(F)F)C2)C1 ZINC000662284208 720410008 /nfs/dbraw/zinc/41/00/08/720410008.db2.gz GDZMNCSZPLFJHM-XNRPHZJLSA-N 2 0 358.404 3.145 20 0 FGADRP C[C@@H](C(=O)NCc1ccc(Cl)cc1)[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662290757 720410595 /nfs/dbraw/zinc/41/05/95/720410595.db2.gz JQCQBYJZRPHSLG-MAUKXSAKSA-N 2 0 363.933 3.056 20 0 FGADRP C[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(Br)cc2)[C@@H]1CCC[NH3+] ZINC000662313063 720414092 /nfs/dbraw/zinc/41/40/92/720414092.db2.gz HQEYWLCNBXHTAV-CZUORRHYSA-N 2 0 368.319 3.227 20 0 FGADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)c1cc2c(s1)CC[NH2+]C2)c1ccccc1 ZINC000662444530 720429312 /nfs/dbraw/zinc/42/93/12/720429312.db2.gz JXVIKSDVJITVME-CQSZACIVSA-N 2 0 357.523 3.253 20 0 FGADRP O=C(c1cc2c(s1)CC[NH2+]C2)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000662444291 720429427 /nfs/dbraw/zinc/42/94/27/720429427.db2.gz HOGYZWSWEIPUDS-MRXNPFEDSA-N 2 0 361.555 3.122 20 0 FGADRP C[NH+](C)[C@H](CNC(=O)C[C@H]1[NH2+]Cc2ccccc21)c1ccc(Cl)cc1 ZINC000662487286 720434136 /nfs/dbraw/zinc/43/41/36/720434136.db2.gz QDCHIQOELMUCPQ-RTBURBONSA-N 2 0 357.885 3.294 20 0 FGADRP O[C@H](C[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2)CC(F)(F)F ZINC000663368285 720506429 /nfs/dbraw/zinc/50/64/29/720506429.db2.gz CSEXLWSAMMVCAO-SJORKVTESA-N 2 0 356.432 3.192 20 0 FGADRP Cc1cc(C)[nH+]c(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)c1 ZINC001164841210 720509027 /nfs/dbraw/zinc/50/90/27/720509027.db2.gz XYCOINLIELVVEQ-VAMGGRTRSA-N 2 0 353.514 3.273 20 0 FGADRP CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3[nH+]ccc4[nH]ccc43)CC[C@@H]21 ZINC001164837873 720512142 /nfs/dbraw/zinc/51/21/42/720512142.db2.gz QGSDXOXBJZQIFI-UWVAXJGDSA-N 2 0 364.497 3.137 20 0 FGADRP FC(F)Oc1c(Br)cccc1C[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000666953756 721004758 /nfs/dbraw/zinc/00/47/58/721004758.db2.gz GZTXBRMXXFWIJA-LBPRGKRZSA-N 2 0 361.230 3.282 20 0 FGADRP [NH3+]Cc1cccc(NC(=O)NCC2([NH+]3CCSCC3)CCCCC2)c1 ZINC000667728342 721165141 /nfs/dbraw/zinc/16/51/41/721165141.db2.gz RKCSOIBVSGKLOU-UHFFFAOYSA-N 2 0 362.543 3.019 20 0 FGADRP C[C@H]1CCCC[N@@H+]1CCC(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000670415631 721536955 /nfs/dbraw/zinc/53/69/55/721536955.db2.gz GNKJIQQDELZMEU-KRWDZBQOSA-N 2 0 363.571 3.341 20 0 FGADRP C[NH+]1CCC(N2CC[C@@H]([NH2+][C@H]3CCCOc4ccc(Cl)cc43)C2)CC1 ZINC000675875681 721777143 /nfs/dbraw/zinc/77/71/43/721777143.db2.gz WOMYIGCDRGHRLW-APWZRJJASA-N 2 0 363.933 3.312 20 0 FGADRP C[NH+]1CCC(N2CC[C@H]([NH2+][C@H]3CCCOc4c(Cl)cccc43)C2)CC1 ZINC000675876207 721777195 /nfs/dbraw/zinc/77/71/95/721777195.db2.gz WGGKAMHTBRYIGX-KXBFYZLASA-N 2 0 363.933 3.312 20 0 FGADRP CC(C)[N@@H+]1CC[C@H](C[NH2+][C@H]2C[C@H]3C[C@@H](C2)N(C(=O)OC(C)(C)C)C3)C1 ZINC000707908308 722412371 /nfs/dbraw/zinc/41/23/71/722412371.db2.gz QJNMMPWADTVEHI-OWSLCNJRSA-N 2 0 351.535 3.094 20 0 FGADRP C[C@@H]([NH2+]C1CCC([NH+](C)C)CC1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000715572858 722415886 /nfs/dbraw/zinc/41/58/86/722415886.db2.gz SIZJATMXCWQDCB-MRLCAUJQSA-N 2 0 353.551 3.484 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=S)NCC(C)(C)C[NH+](C)C)c1ccsc1 ZINC000727074637 722440903 /nfs/dbraw/zinc/44/09/03/722440903.db2.gz MLUUKODYVADZSK-INIZCTEOSA-N 2 0 370.632 3.183 20 0 FGADRP C[NH+](C)CC(C)(C)CNC(=S)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000728445890 722451711 /nfs/dbraw/zinc/45/17/11/722451711.db2.gz MAWKHRQJNZMLPU-GOSISDBHSA-N 2 0 368.635 3.037 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)/C=C\Sc1ccccc1 ZINC000750735138 722779301 /nfs/dbraw/zinc/77/93/01/722779301.db2.gz TXRYYUPQIHLPDC-XOQYZJNISA-N 2 0 361.555 3.167 20 0 FGADRP C[C@@H]1C[NH+](CCCC[NH2+]Cc2cnc(-c3ccncc3)s2)C[C@@H](C)O1 ZINC000753367949 722896016 /nfs/dbraw/zinc/89/60/16/722896016.db2.gz LAFKZIQXSUUDCK-HZPDHXFCSA-N 2 0 360.527 3.184 20 0 FGADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@]2(C)CCCN(C(=O)OC(C)(C)C)C2)[C@@H](C)C1 ZINC000753763036 722911821 /nfs/dbraw/zinc/91/18/21/722911821.db2.gz LTWXBUNBSKFUBL-ABSDTBQOSA-N 2 0 353.551 3.344 20 0 FGADRP CC(C)[C@@H](C[NH2+][C@@H](C)c1cc(Cl)c(N)c(Cl)c1)N1CC[NH+](C)CC1 ZINC000760158581 723040545 /nfs/dbraw/zinc/04/05/45/723040545.db2.gz INVQJLOOULOBCW-SUMWQHHRSA-N 2 0 373.372 3.498 20 0 FGADRP CC(C)CC[NH+](CCC(C)C)CN1C[C@@]2(C[NH+]3CCC2CC3)OC1=O ZINC000790371186 723132247 /nfs/dbraw/zinc/13/22/47/723132247.db2.gz VPAXDFJTOSDYEX-HXUWFJFHSA-N 2 0 351.535 3.255 20 0 FGADRP COc1c(C)cc([C@@H](C)[NH2+]C2CCN(CC[NH+](C)C)CC2)cc1Cl ZINC000796697066 723650647 /nfs/dbraw/zinc/65/06/47/723650647.db2.gz UDXYETZVWZNKLC-OAHLLOKOSA-N 2 0 353.938 3.334 20 0 FGADRP O[C@@H](C[NH2+][C@H](c1ccc(Br)cc1)C1CCC1)C[NH+]1CCCC1 ZINC000775205112 723970751 /nfs/dbraw/zinc/97/07/51/723970751.db2.gz SSXFHRCOBJQFLL-ROUUACIJSA-N 2 0 367.331 3.337 20 0 FGADRP C[NH+](C)CC1CCC([NH2+]C[C@]2(C)CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000798951411 723978280 /nfs/dbraw/zinc/97/82/80/723978280.db2.gz UYARWMPSDFLVAC-UHYCVJNDSA-N 2 0 353.551 3.344 20 0 FGADRP COc1ccc([C@H](C)[NH2+]C[C@H](O)C(F)(F)F)cc1C[NH+]1CCCCC1 ZINC000775380089 723986778 /nfs/dbraw/zinc/98/67/78/723986778.db2.gz VGWBEQSPWQOPHV-GUYCJALGSA-N 2 0 360.420 3.255 20 0 FGADRP C[NH+](C)CCOc1ccccc1C[NH2+][C@@H]1CC[C@@H]2SCCS[C@H]12 ZINC000775383148 723987483 /nfs/dbraw/zinc/98/74/83/723987483.db2.gz VEXHNVTXQPPSBL-BPQIPLTHSA-N 2 0 352.569 3.096 20 0 FGADRP CC(C)[C@H](C(=O)OC[C@@]1(F)CC[N@@H+]([C@H](C)c2ccccc2)C1)[NH+](C)C ZINC000802146269 724361298 /nfs/dbraw/zinc/36/12/98/724361298.db2.gz RFBHMICCPDWMPI-YVWKXTFCSA-N 2 0 350.478 3.291 20 0 FGADRP CC(C)[NH+]1CCC([NH2+][C@H]2CCN(C(=O)OC(C)(C)C)CC[C@@H]2C)CC1 ZINC000788651850 725078637 /nfs/dbraw/zinc/07/86/37/725078637.db2.gz NCJGYKNVIFWXCL-WMZOPIPTSA-N 2 0 353.551 3.484 20 0 FGADRP CCCC[N@H+](C)CC1CCN(Cc2ncc(C3OCCO3)s2)CC1 ZINC000809545292 725245910 /nfs/dbraw/zinc/24/59/10/725245910.db2.gz AFBSICCQZVMIKY-UHFFFAOYSA-N 2 0 353.532 3.132 20 0 FGADRP CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)C1 ZINC000809951000 725278102 /nfs/dbraw/zinc/27/81/02/725278102.db2.gz UWIILXFKNBFMTJ-KXBFYZLASA-N 2 0 367.534 3.214 20 0 FGADRP C[N@@H+]1CCC[C@@]2(CC[NH+](C[C@H](O)Cc3ccc(C(F)(F)F)cc3)C2)C1 ZINC000815145066 727045075 /nfs/dbraw/zinc/04/50/75/727045075.db2.gz VFSNRRKNOMLHQO-QZTJIDSGSA-N 2 0 356.432 3.027 20 0 FGADRP Brc1c(CNCCCCC[NH+]2CCCC2)nc2ccccn21 ZINC000816644110 727184499 /nfs/dbraw/zinc/18/44/99/727184499.db2.gz CJGVOHVMUZHQFK-UHFFFAOYSA-N 2 0 365.319 3.453 20 0 FGADRP O[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1)c1ccccc1Br ZINC000817934604 727288710 /nfs/dbraw/zinc/28/87/10/727288710.db2.gz IZODGSNIBYIDMF-BZZMCLGOSA-N 2 0 367.331 3.383 20 0 FGADRP C[C@@H]([NH2+]Cc1ccc(CC[NH3+])cc1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000817949547 727289291 /nfs/dbraw/zinc/28/92/91/727289291.db2.gz RDJJJJYCELIKEQ-CYBMUJFWSA-N 2 0 368.449 3.035 20 0 FGADRP CC[NH+](CC)Cc1cc([C@@H](C)N[C@@H]2C[NH2+]CCC2(F)F)ccc1OC ZINC000817979719 727290048 /nfs/dbraw/zinc/29/00/48/727290048.db2.gz DKBHVTPWSWRMTA-RDTXWAMCSA-N 2 0 355.473 3.185 20 0 FGADRP COC(OC)c1ccc(F)c(C[NH2+]CC2(SC)CC[NH+](C)CC2)c1 ZINC000818214788 727301647 /nfs/dbraw/zinc/30/16/47/727301647.db2.gz LTXXAEPVMLWAIZ-UHFFFAOYSA-N 2 0 356.507 3.034 20 0 FGADRP C[NH+](C)Cc1cccc(C[NH2+]C[C@@H](O)c2ccccc2Br)c1 ZINC000818954268 727330016 /nfs/dbraw/zinc/33/00/16/727330016.db2.gz UYKUEQUDOXFWNI-GOSISDBHSA-N 2 0 363.299 3.334 20 0 FGADRP C[NH+](C)CC[C@H]([NH2+]C[C@H](O)c1ccccc1Br)C(C)(C)C ZINC000819082299 727345505 /nfs/dbraw/zinc/34/55/05/727345505.db2.gz PGXMZFHBUJDQTM-HOTGVXAUSA-N 2 0 357.336 3.439 20 0 FGADRP C[NH+](C)CC1(C[NH2+]C[C@H](O)c2ccccc2Br)CCCC1 ZINC000819226363 727359799 /nfs/dbraw/zinc/35/97/99/727359799.db2.gz DFJJKTYLQGJVSX-INIZCTEOSA-N 2 0 355.320 3.194 20 0 FGADRP O[C@@H](C[NH2+]C1CC(N2CCC(C(F)(F)F)CC2)C1)c1ccccc1F ZINC000819275008 727363361 /nfs/dbraw/zinc/36/33/61/727363361.db2.gz LDTOMUKLAXFPNZ-KVULBXGLSA-N 2 0 360.395 3.254 20 0 FGADRP C[NH+](C)C1CCC([NH2+]C[C@H](O)c2ccc(F)c(Br)c2)CC1 ZINC000819373180 727371883 /nfs/dbraw/zinc/37/18/83/727371883.db2.gz BIGNUYXKAMOEDR-ZUEPYMLJSA-N 2 0 359.283 3.084 20 0 FGADRP CC(C)[NH+](CCC[NH2+]C[C@@]12C[C@@H]1CN(C(=O)OC(C)(C)C)C2)C(C)C ZINC000823979228 729314596 /nfs/dbraw/zinc/31/45/96/729314596.db2.gz HUHCTLIPHHVPTI-YLJYHZDGSA-N 2 0 353.551 3.342 20 0 FGADRP CC(C)[N@@H+]1CC[C@H](C[NH2+][C@H](C)[C@H]2CCCCN2C(=O)OC(C)(C)C)C1 ZINC000824383045 729334918 /nfs/dbraw/zinc/33/49/18/729334918.db2.gz JFBXWUNDEMNZHH-KZNAEPCWSA-N 2 0 353.551 3.484 20 0 FGADRP Cc1cc([C@H]([NH3+])CC(=O)NC[C@@]2([NH+](C)C)CCC[C@@H](C)C2)cc(Cl)n1 ZINC000827528809 729431345 /nfs/dbraw/zinc/43/13/45/729431345.db2.gz ALCOGCOWHNEUNA-VVFCZOMOSA-N 2 0 366.937 3.060 20 0 FGADRP CC[C@@H]([NH2+]CC1(C)CC[NH+](C)CC1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000834756139 729831780 /nfs/dbraw/zinc/83/17/80/729831780.db2.gz KPYHYPNLMGAAPG-IAGOWNOFSA-N 2 0 353.551 3.486 20 0 FGADRP [NH3+]CCc1ccc(C[NH2+]Cc2cnn(Cc3ccccc3Cl)c2)cc1 ZINC000841032172 730204820 /nfs/dbraw/zinc/20/48/20/730204820.db2.gz NTXDCPYTNXWXPR-UHFFFAOYSA-N 2 0 354.885 3.376 20 0 FGADRP Cc1nn(Cc2ccc(F)cc2)c(Cl)c1CN1CC[C@H]([C@H](C)[NH3+])C1 ZINC000843058259 730574839 /nfs/dbraw/zinc/57/48/39/730574839.db2.gz QLZSSRFAWUZKJE-WFASDCNBSA-N 2 0 350.869 3.201 20 0 FGADRP [NH3+]C1CCC([NH2+]Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)CC1 ZINC000843103827 730585359 /nfs/dbraw/zinc/58/53/59/730585359.db2.gz DSROLNCIZLLOBH-UHFFFAOYSA-N 2 0 352.404 3.310 20 0 FGADRP [NH3+]CCCCCC[NH2+]Cc1cc(Br)c2c(c1)OCCCO2 ZINC000843129057 730589378 /nfs/dbraw/zinc/58/93/78/730589378.db2.gz QHDOPEWLSWNAOS-UHFFFAOYSA-N 2 0 357.292 3.219 20 0 FGADRP C[C@H]1C[C@H]([NH2+]C2CC([NH+]3CCCCC3)C2)CN(C(=O)OC(C)(C)C)C1 ZINC000843407508 730616353 /nfs/dbraw/zinc/61/63/53/730616353.db2.gz SXEBRDZKIROILO-NALMEZQBSA-N 2 0 351.535 3.238 20 0 FGADRP CSC1(C[NH2+][C@H]2C[C@H](C)CN(C(=O)OC(C)(C)C)C2)CC[NH+](C)CC1 ZINC000843410405 730616691 /nfs/dbraw/zinc/61/66/91/730616691.db2.gz SWDOFEXDJGDITK-HOTGVXAUSA-N 2 0 371.591 3.049 20 0 FGADRP C[N@@H+]1CCC[C@@H]2C[NH+](CCCCCCNC(=O)OC(C)(C)C)CC[C@H]21 ZINC000844304175 730700579 /nfs/dbraw/zinc/70/05/79/730700579.db2.gz MRBSSCOKGXWYOT-QZTJIDSGSA-N 2 0 353.551 3.488 20 0 FGADRP C[NH+](C)Cc1ccc(NC(=O)C2CC[NH+]([C@H]3CCSC3)CC2)cc1F ZINC000847547533 731063713 /nfs/dbraw/zinc/06/37/13/731063713.db2.gz WJKSQOPJEFTHLF-KRWDZBQOSA-N 2 0 365.518 3.043 20 0 FGADRP CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]([NH2+]C2CC([NH+]3CCCCC3)C2)C1 ZINC000848549937 731179861 /nfs/dbraw/zinc/17/98/61/731179861.db2.gz YBMMCHQIPRNCRC-VEZWFGLTSA-N 2 0 351.535 3.429 20 0 FGADRP CC(C)(CNC(=[NH2+])NC1CC[NH+](Cc2ccccc2)CC1)C(F)(F)F ZINC000848989004 731223776 /nfs/dbraw/zinc/22/37/76/731223776.db2.gz RUSYOKNFTREJEP-UHFFFAOYSA-N 2 0 356.436 3.353 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCCCOc1ccc(Cl)cc1 ZINC000849055009 731224576 /nfs/dbraw/zinc/22/45/76/731224576.db2.gz OTLVJPUXKUKPOW-INIZCTEOSA-N 2 0 352.910 3.097 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(-c2csc(C)n2)cc1 ZINC000849057449 731225051 /nfs/dbraw/zinc/22/50/51/731225051.db2.gz KYWHWZGGWOVTEQ-QGZVFWFLSA-N 2 0 357.527 3.217 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCCOc1ccc(Cl)cc1C ZINC000849065905 731225360 /nfs/dbraw/zinc/22/53/60/731225360.db2.gz HTHDRFBCXOXEPP-INIZCTEOSA-N 2 0 352.910 3.016 20 0 FGADRP [NH2+]=C(NCCc1cccs1)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000849066186 731225378 /nfs/dbraw/zinc/22/53/78/731225378.db2.gz GHMHGXLHLHTEMT-UHFFFAOYSA-N 2 0 356.539 3.317 20 0 FGADRP CSC1(CNC(=[NH2+])Nc2ccc(OC(C)C)cc2)CC[NH+](C)CC1 ZINC000849084842 731227579 /nfs/dbraw/zinc/22/75/79/731227579.db2.gz OVUZHBGWEGDCBO-UHFFFAOYSA-N 2 0 350.532 3.237 20 0 FGADRP C[C@@H](CNC(=[NH2+])NCc1cccc(C(F)(F)F)c1)[N@@H+]1CCC[C@@H](C)C1 ZINC000849091046 731228023 /nfs/dbraw/zinc/22/80/23/731228023.db2.gz DTIFGYUBYMSLCT-KGLIPLIRSA-N 2 0 356.436 3.440 20 0 FGADRP C[N@H+](Cc1ccccc1)[C@@H](CNC(=[NH2+])NCCc1cccs1)C1CC1 ZINC000849092366 731228180 /nfs/dbraw/zinc/22/81/80/731228180.db2.gz ADGAWPGDUUVNJL-IBGZPJMESA-N 2 0 356.539 3.315 20 0 FGADRP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]CCC2SCCS2)CC1 ZINC000850407043 731353523 /nfs/dbraw/zinc/35/35/23/731353523.db2.gz IEAOXCPBROAQEZ-UHFFFAOYSA-N 2 0 372.003 3.378 20 0 FGADRP O[C@@H](C[NH2+]CC1CC[NH+](CC2CC2)CC1)c1cccc(C(F)(F)F)c1 ZINC000853135035 731669893 /nfs/dbraw/zinc/66/98/93/731669893.db2.gz OYMDMYRGPWFRMW-SFHVURJKSA-N 2 0 356.432 3.450 20 0 FGADRP CC[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](C[C@@H]3CC3(Cl)Cl)C2)ccn1 ZINC000856596164 732040863 /nfs/dbraw/zinc/04/08/63/732040863.db2.gz SFCWZSOCHOMEGQ-XJKSGUPXSA-N 2 0 358.313 3.180 20 0 FGADRP C[N@@H+]1CC[C@H]([NH2+]CCC2CCN(C(=O)OC(C)(C)C)CC2)CC1(C)C ZINC000858184347 732190348 /nfs/dbraw/zinc/19/03/48/732190348.db2.gz QRPPXBURONGSRI-KRWDZBQOSA-N 2 0 353.551 3.486 20 0 FGADRP C[NH+](CC[Si](C)(C)CC[N@@H+](C)C[C@H]1CCCOC1)C[C@H]1CCCOC1 ZINC000859133437 732281617 /nfs/dbraw/zinc/28/16/17/732281617.db2.gz HATPYQKVTZJHJY-WOJBJXKFSA-N 2 0 370.654 3.412 20 0 FGADRP C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)[C@H]1[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000862366683 732817349 /nfs/dbraw/zinc/81/73/49/732817349.db2.gz VQZZVRXUZYQYKR-NCOADZHNSA-N 2 0 353.551 3.483 20 0 FGADRP CC[NH2+][C@H](C)c1nc(-c2ccc(N3CCC[N@H+](C)CC3)c(Cl)c2)no1 ZINC000863666022 732991917 /nfs/dbraw/zinc/99/19/17/732991917.db2.gz RIXSRZWBHBNGTG-CYBMUJFWSA-N 2 0 363.893 3.202 20 0 FGADRP C[N@@H+]1CCCC[C@@H](C[NH2+]C[C@@H](CC(F)(F)F)NC(=O)OC(C)(C)C)C1 ZINC000865641077 733243943 /nfs/dbraw/zinc/24/39/43/733243943.db2.gz SMCOCTUVRQTWBG-UONOGXRCSA-N 2 0 367.456 3.154 20 0 FGADRP [NH3+][C@H](C[C@@H]1CCC[N@H+](C[C@@H]2CC3(CO2)CCOCC3)C1)C1CCCC1 ZINC000872157710 735597121 /nfs/dbraw/zinc/59/71/21/735597121.db2.gz PUXNJXAWCHRGSE-YSIASYRMSA-N 2 0 350.547 3.192 20 0 FGADRP C[C@@H](C(=O)Nc1c(F)c(F)c(F)c(F)c1F)[N@H+](C)CCCCCC[NH3+] ZINC000872155463 735597138 /nfs/dbraw/zinc/59/71/38/735597138.db2.gz STAVTBFIMNKBSF-VIFPVBQESA-N 2 0 367.362 3.160 20 0 FGADRP CCOC(=O)c1ncc(C[N@@H+]2CCC[C@@H](C[C@H]([NH3+])C3CCCC3)C2)s1 ZINC000872156361 735597264 /nfs/dbraw/zinc/59/72/64/735597264.db2.gz ILZFMDARAHGPPG-YOEHRIQHSA-N 2 0 365.543 3.439 20 0 FGADRP C[C@@H]([NH2+]C1CCN(Cc2c(F)cccc2Cl)CC1)C1CC[NH2+]CC1 ZINC000873221591 735739749 /nfs/dbraw/zinc/73/97/49/735739749.db2.gz YAHIMAYTDLGLFO-CQSZACIVSA-N 2 0 353.913 3.421 20 0 FGADRP C[C@@H](CC(=O)Nc1cccnc1Cl)[NH2+]CC[C@@H]([NH3+])Cc1ccccc1 ZINC000873235931 735741991 /nfs/dbraw/zinc/74/19/91/735741991.db2.gz UYAZAKZNZFXHAI-GOEBONIOSA-N 2 0 360.889 3.002 20 0 FGADRP Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@H]2[NH2+][C@H](C)C2CC[NH2+]CC2)cc1 ZINC000873270313 735744842 /nfs/dbraw/zinc/74/48/42/735744842.db2.gz ZJIMNXPDIHEUHC-NSISKUIASA-N 2 0 364.555 3.058 20 0 FGADRP C[C@H]([NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2)c1sccc1Br ZINC000873289925 735746513 /nfs/dbraw/zinc/74/65/13/735746513.db2.gz MIJXJJQXOYUIOZ-RYUDHWBXSA-N 2 0 359.333 3.320 20 0 FGADRP CCO[P@](C)(=O)CC[C@H](C)[NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000877090896 736186889 /nfs/dbraw/zinc/18/68/89/736186889.db2.gz XVQAOBWXSJZPBS-NCWIZHRGSA-N 2 0 360.479 3.067 20 0 FGADRP CC(C)(O)C[NH+]1CCC([NH2+]Cc2cn(C(F)F)c3ccccc23)CC1 ZINC000877656716 736700576 /nfs/dbraw/zinc/70/05/76/736700576.db2.gz AAIGWHWMRCOFDP-UHFFFAOYSA-N 2 0 351.441 3.361 20 0 FGADRP C(C[NH+]1CCC2(CCCCO2)CC1)C[NH+]1CCC2(CCCCO2)CC1 ZINC000880456440 737176570 /nfs/dbraw/zinc/17/65/70/737176570.db2.gz MPCBVVHZURSBIL-UHFFFAOYSA-N 2 0 350.547 3.447 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)N1CCC12CC[NH+](C)CC2)c1ccsc1 ZINC000891877755 739946957 /nfs/dbraw/zinc/94/69/57/739946957.db2.gz NQWGIWFVEWHGBG-KRWDZBQOSA-N 2 0 364.559 3.011 20 0 FGADRP CC[NH+](CC)Cc1cccc(C[NH2+][C@@H]2CCC3(C[C@H]2F)OCCO3)c1 ZINC000892613144 740023259 /nfs/dbraw/zinc/02/32/59/740023259.db2.gz QMOMMFNGXSTGQG-RTBURBONSA-N 2 0 350.478 3.252 20 0 FGADRP C[NH+](C)CCOc1ccccc1CNCc1cnc(CC(F)(F)F)s1 ZINC000892735861 740038675 /nfs/dbraw/zinc/03/86/75/740038675.db2.gz QTLKANCTVQCTEL-UHFFFAOYSA-N 2 0 373.444 3.478 20 0 FGADRP C[C@@]1(Br)C[C@H]1C[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000895346552 742400637 /nfs/dbraw/zinc/40/06/37/742400637.db2.gz INVFNZSOFHJYQW-DLBZAZTESA-N 2 0 352.320 3.057 20 0 FGADRP [NH3+]CCCC[C@@H]([NH2+]CCc1cn2c(n1)SCC2)c1ccc(F)cc1F ZINC000902378722 743738674 /nfs/dbraw/zinc/73/86/74/743738674.db2.gz ZZNLIDDTFSXUMZ-QGZVFWFLSA-N 2 0 366.481 3.269 20 0 FGADRP COc1ccc(Cl)c2c1CCC[C@@H]2[NH2+]CCCC[NH+]1CCN(C)CC1 ZINC000903067767 743801142 /nfs/dbraw/zinc/80/11/42/743801142.db2.gz XDKUIFKECWRAHC-SFHVURJKSA-N 2 0 365.949 3.343 20 0 FGADRP Clc1ccccc1C[NH+]1CCC(C[NH2+][C@H]2CCO[C@@]23CCOC3)CC1 ZINC000903091873 743803735 /nfs/dbraw/zinc/80/37/35/743803735.db2.gz BRQHJJWIYSYPHK-VQTJNVASSA-N 2 0 364.917 3.090 20 0 FGADRP C[C@@H]([NH2+]Cc1csc(NC(=O)OC(C)(C)C)n1)C1CC[NH+](C)CC1 ZINC000903377466 743842807 /nfs/dbraw/zinc/84/28/07/743842807.db2.gz QISBUHCNBKXZNM-GFCCVEGCSA-N 2 0 354.520 3.310 20 0 FGADRP C[NH+](C)CC[C@H](NC1CC[NH+](CCC(F)(F)F)CC1)c1cccnc1 ZINC000903380139 743843079 /nfs/dbraw/zinc/84/30/79/743843079.db2.gz KRAIUHJNNLIDAC-KRWDZBQOSA-N 2 0 358.452 3.081 20 0 FGADRP [NH3+]CC[C@@H]1CC[N@H+](Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)C1 ZINC000904406173 743952845 /nfs/dbraw/zinc/95/28/45/743952845.db2.gz SROIGNXWHBAQTF-OAHLLOKOSA-N 2 0 352.404 3.121 20 0 FGADRP FC(F)(F)c1ccnc([C@H]2CC[N@H+](Cc3cc4c(s3)CC[NH2+]C4)C2)n1 ZINC000904461521 743956780 /nfs/dbraw/zinc/95/67/80/743956780.db2.gz CLPWGTBJRUUGBU-NSHDSACASA-N 2 0 368.428 3.192 20 0 FGADRP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CCC[NH+](CCC(C)(C)C)CC2)CC[N@@H+]1C ZINC000948388560 762328349 /nfs/dbraw/zinc/32/83/49/762328349.db2.gz IVSRLBSVNJQEBV-GBESFXJTSA-N 2 0 351.579 3.466 20 0 FGADRP CC(C)[C@H](CNC(=O)NC[C@@H](C)[NH+]1CCCCC1)[NH+]1CCCCCC1 ZINC000918119726 758304508 /nfs/dbraw/zinc/30/45/08/758304508.db2.gz AQEHPDDLNUTPAH-MOPGFXCFSA-N 2 0 352.567 3.061 20 0 FGADRP CC(C)[C@H](CNC(=O)NC[C@H](C)[NH+]1CCCCC1)[NH+]1CCCCCC1 ZINC000918119727 758304740 /nfs/dbraw/zinc/30/47/40/758304740.db2.gz AQEHPDDLNUTPAH-OALUTQOASA-N 2 0 352.567 3.061 20 0 FGADRP CC[N@@H+](Cc1ccsc1)CC1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC000957716086 762653453 /nfs/dbraw/zinc/65/34/53/762653453.db2.gz SPFFZTVJXFAWOY-VQIMIIECSA-N 2 0 363.571 3.149 20 0 FGADRP Brc1c[nH]c(C[NH2+]CC2CC[NH+](Cc3cccs3)CC2)n1 ZINC000921630307 758759032 /nfs/dbraw/zinc/75/90/32/758759032.db2.gz RWKPFIWLVAREKY-UHFFFAOYSA-N 2 0 369.332 3.236 20 0 FGADRP CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1ccc(CSC(F)F)o1)C2 ZINC000922386752 758909469 /nfs/dbraw/zinc/90/94/69/758909469.db2.gz IHGWDKNHIQNPEE-CBZIJGRNSA-N 2 0 374.497 3.305 20 0 FGADRP CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]C/C=C\c1ccc(F)cc1F)C2 ZINC000922387419 758909522 /nfs/dbraw/zinc/90/95/22/758909522.db2.gz KRWDXRJNTCRZQR-YXYQLMTNSA-N 2 0 350.453 3.047 20 0 FGADRP CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]Cc3ccc(SC)s3)C2)[C@H]1C(C)C ZINC000922396086 758914633 /nfs/dbraw/zinc/91/46/33/758914633.db2.gz ZZBKMZARVNLMRB-JOCBIADPSA-N 2 0 354.585 3.429 20 0 FGADRP Cc1nn(CC(C)C)c(Cl)c1[C@H]1CCC[N@@H+]1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923317248 759099802 /nfs/dbraw/zinc/09/98/02/759099802.db2.gz CSQFVZBLTMVZMP-HZPDHXFCSA-N 2 0 366.937 3.016 20 0 FGADRP C[C@H]([NH2+]CCCN1CC[NH+](C)CC1)c1ncc(C(F)(F)F)cc1Cl ZINC000924579779 759356816 /nfs/dbraw/zinc/35/68/16/759356816.db2.gz ZLDNJQRWXSIPIV-LBPRGKRZSA-N 2 0 364.843 3.042 20 0 FGADRP CC(C)(C)OC(=O)NC[C@H]1CC[C@H]([NH2+]C2CC[NH+](C3CCC3)CC2)C1 ZINC000924841753 759402419 /nfs/dbraw/zinc/40/24/19/759402419.db2.gz DEBCOYOGBVLKGT-RDJZCZTQSA-N 2 0 351.535 3.286 20 0 FGADRP CCC[C@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)c1ncccc1Cl ZINC000925038933 759435018 /nfs/dbraw/zinc/43/50/18/759435018.db2.gz HTCDVVMONRWYQI-YJBOKZPZSA-N 2 0 350.938 3.334 20 0 FGADRP CC(C)(C)OC(=O)NCC1CC([NH2+]C2CC[NH+](C3CCCC3)CC2)C1 ZINC000925220890 759463800 /nfs/dbraw/zinc/46/38/00/759463800.db2.gz KEIXTVFPKNJXFG-UHFFFAOYSA-N 2 0 351.535 3.286 20 0 FGADRP CCS(=O)(=O)c1cc(Cl)cc(C[NH2+][C@@H]2C[C@H]([NH3+])CC(C)(C)C2)c1 ZINC000925684875 759523354 /nfs/dbraw/zinc/52/33/54/759523354.db2.gz DLZCLMJHJBEKIX-LSDHHAIUSA-N 2 0 358.935 3.129 20 0 FGADRP CC(C)([NH3+])CCN[C@H](c1ccc(F)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000925743038 759528082 /nfs/dbraw/zinc/52/80/82/759528082.db2.gz ZDYKTBXKRKUFIG-GOSISDBHSA-N 2 0 364.486 3.036 20 0 FGADRP [NH3+]C1CCN(CC[NH2+][C@@H]2CCc3c2cc(Br)cc3Cl)CC1 ZINC000925814162 759549367 /nfs/dbraw/zinc/54/93/67/759549367.db2.gz HEQCEUOHGRBNRK-MRXNPFEDSA-N 2 0 372.738 3.103 20 0 FGADRP [NH3+]C1CCN(CC[NH2+][C@H](c2ccc(Br)cc2F)C2CC2)CC1 ZINC000925812994 759549711 /nfs/dbraw/zinc/54/97/11/759549711.db2.gz QQRMEANUKROWDO-KRWDZBQOSA-N 2 0 370.310 3.052 20 0 FGADRP Brc1cnn(C2(C[NH2+][C@@H]3CCC[C@H]3[C@H]3CCCC[NH2+]3)CC2)c1 ZINC000925838394 759555374 /nfs/dbraw/zinc/55/53/74/759555374.db2.gz MAAHIDLPTHIWBT-ARFHVFGLSA-N 2 0 367.335 3.035 20 0 FGADRP C[C@H]([NH2+]CCn1cc(Br)cn1)c1cccc(C[NH+](C)C)c1 ZINC000926413535 759741739 /nfs/dbraw/zinc/74/17/39/759741739.db2.gz GZNZWDYZFFJMLJ-ZDUSSCGKSA-N 2 0 351.292 3.058 20 0 FGADRP C[C@@H]([NH2+]C1CCC(C)([NH+]2CCC2)CC1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000927039461 759880657 /nfs/dbraw/zinc/88/06/57/759880657.db2.gz SSFHKCAPYRTFKP-ICXUMSERSA-N 2 0 368.518 3.287 20 0 FGADRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2nc(C)c(C(C)(C)C)s2)CC1 ZINC000930663201 760665335 /nfs/dbraw/zinc/66/53/35/760665335.db2.gz FVOFKJBGBMXZRC-UHFFFAOYSA-N 2 0 352.592 3.255 20 0 FGADRP C[C@@H]1[C@H](C(=O)N2CCC([NH+](C)Cc3cccc(Cl)c3)CC2)CC[N@@H+]1C ZINC000985442809 763931210 /nfs/dbraw/zinc/93/12/10/763931210.db2.gz SHQRDULKVKMWEH-DNVCBOLYSA-N 2 0 363.933 3.103 20 0 FGADRP CC[C@@H]1[C@@H](C(=O)N[C@@]23CCC[C@@H]2[NH+](Cc2ccsc2)CC3)CC[N@@H+]1C ZINC000990761488 764560867 /nfs/dbraw/zinc/56/08/67/764560867.db2.gz IUIQUHJLAPGCMD-HLNWXESRSA-N 2 0 361.555 3.092 20 0 FGADRP CC[C@@H]1[C@@H](C(=O)N2C[C@H]([NH2+]Cc3csc(C)c3)C(C)(C)C2)CC[N@@H+]1C ZINC000995837294 764971713 /nfs/dbraw/zinc/97/17/13/764971713.db2.gz DBBHXKOMMOBGTA-KSZLIROESA-N 2 0 363.571 3.113 20 0 FGADRP C[C@@H]1[C@H](C(=O)N2CCC(C[NH2+]Cc3ccc(Cl)s3)CC2)CC[N@@H+]1C ZINC000997785669 765082493 /nfs/dbraw/zinc/08/24/93/765082493.db2.gz KXUXFJPLVRUMRB-CZUORRHYSA-N 2 0 369.962 3.070 20 0 FGADRP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCC[NH+](Cc3ccc(Cl)s3)C2)CC[N@@H+]1C ZINC001023377779 766036590 /nfs/dbraw/zinc/03/65/90/766036590.db2.gz WEMFNQASRBKDIZ-IJEWVQPXSA-N 2 0 369.962 3.070 20 0 FGADRP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]2C[NH2+]Cc2ccccc2Cl)CC[N@@H+]1C ZINC001034941277 766250659 /nfs/dbraw/zinc/25/06/59/766250659.db2.gz OWDNFUFRCJCONZ-ZIFCJYIRSA-N 2 0 363.933 3.151 20 0 FGADRP CC[C@@H]1[C@@H](C(=O)N[C@@]2(C)CC[NH+](Cc3cccc(Cl)c3)C2)CC[N@@H+]1C ZINC001046330487 766586357 /nfs/dbraw/zinc/58/63/57/766586357.db2.gz LCLHSFYXIBZPTA-NSHGMRRFSA-N 2 0 363.933 3.151 20 0 FGADRP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH2+][C@@H]4CCO[C@@]5(CCOC5)C4)[C@@H]3C2)cc1 ZINC000359894284 210196220 /nfs/dbraw/zinc/19/62/20/210196220.db2.gz FWDOPMPJIZPLKO-NQQQLTFYSA-N 2 0 370.537 3.215 20 0 FGADRP CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]C3CC[NH+]([C@@H]4CCCC[C@H]4C)CC3)[C@H]2C1 ZINC000573599764 505575329 /nfs/dbraw/zinc/57/53/29/505575329.db2.gz JIIGZWFRFDPUSV-DOYHNPMNSA-N 2 0 361.574 3.266 20 0 FGADRP CC[NH2+]Cc1ccccc1NC(=O)[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000567973422 505587249 /nfs/dbraw/zinc/58/72/49/505587249.db2.gz CGNUVCYZWKKTKR-LJQANCHMSA-N 2 0 352.482 3.042 20 0 FGADRP C[C@H]([NH2+][C@@H]1COc2ccccc2C1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000579619888 505588412 /nfs/dbraw/zinc/58/84/12/505588412.db2.gz ILHHIPDQFXOOGE-LPHOPBHVSA-N 2 0 369.484 3.232 20 0 FGADRP Cc1nsc(C)c1C[NH+]1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000579669325 505598532 /nfs/dbraw/zinc/59/85/32/505598532.db2.gz ZAWUKSYNSVSPTC-HUUCEWRRSA-N 2 0 351.560 3.471 20 0 FGADRP CC(C)OC[C@H](C)[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000570870889 505599940 /nfs/dbraw/zinc/59/99/40/505599940.db2.gz PXLXDPQQLRUHDD-PZJWPPBQSA-N 2 0 360.542 3.318 20 0 FGADRP Cc1nc(COc2ccc(C[N@H+]3CC[C@H](C4CC[NH+](C)CC4)C3)cc2)no1 ZINC000568035835 505600577 /nfs/dbraw/zinc/60/05/77/505600577.db2.gz NNPJWZIHFLWHDM-IBGZPJMESA-N 2 0 370.497 3.121 20 0 FGADRP C[C@@H]1CN([C@H](C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)c2c(F)cccc2Cl)CCO1 ZINC000579734905 505610534 /nfs/dbraw/zinc/61/05/34/505610534.db2.gz ZUNGSFZUTRTIDY-BASYENTBSA-N 2 0 369.912 3.100 20 0 FGADRP O=C1CC[C@@H]([NH2+]Cc2cc(-c3ccccc3)cs2)[C@H](C2CC[NH2+]CC2)N1 ZINC000571027833 505637044 /nfs/dbraw/zinc/63/70/44/505637044.db2.gz KYPMCUFTPIJHJF-CTNGQTDRSA-N 2 0 369.534 3.152 20 0 FGADRP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+]2C[C@H](C)CC(C)(C)C2)CC1 ZINC000579877472 505637078 /nfs/dbraw/zinc/63/70/78/505637078.db2.gz LYFZSMSLCIZFDH-GOSISDBHSA-N 2 0 371.569 3.444 20 0 FGADRP C[NH+](C)C[C@H](NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)c1ccc(F)cc1 ZINC000579879372 505637602 /nfs/dbraw/zinc/63/76/02/505637602.db2.gz BVSFUTVWGULGFC-PXNSSMCTSA-N 2 0 361.505 3.199 20 0 FGADRP C[C@@H]1C[C@H](N(C)C(=O)C[NH+]2CCC(C)(C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000568200870 505642215 /nfs/dbraw/zinc/64/22/15/505642215.db2.gz BOWNDHMLRKRLOD-UYAOXDASSA-N 2 0 357.542 3.230 20 0 FGADRP C[C@@H]1C[N@@H+](CCC2CC[NH+](Cc3ccc(-c4cc[nH]n4)o3)CC2)C[C@H](C)O1 ZINC000571122536 505657958 /nfs/dbraw/zinc/65/79/58/505657958.db2.gz GXNKHZYFMXPVFH-CALCHBBNSA-N 2 0 372.513 3.381 20 0 FGADRP CCC[C@H](NC(=O)[C@@H](C)[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1)c1ccccc1 ZINC000571166078 505670071 /nfs/dbraw/zinc/67/00/71/505670071.db2.gz ROXLNRSMMDNSNQ-UIFIKXQLSA-N 2 0 357.542 3.354 20 0 FGADRP Cc1ccccc1NC(=O)Cc1nc(CN2CC[C@H](C)[C@H](C[NH3+])C2)cs1 ZINC000580080241 505673811 /nfs/dbraw/zinc/67/38/11/505673811.db2.gz AJCFVFOXMAAXCV-GOEBONIOSA-N 2 0 372.538 3.049 20 0 FGADRP Cc1c(C[NH2+]CCCN2CCC[C@H]2C(N)=O)sc2c1cccc2Cl ZINC000580102247 505677468 /nfs/dbraw/zinc/67/74/68/505677468.db2.gz CDVSFCIJMXPSHP-HNNXBMFYSA-N 2 0 365.930 3.293 20 0 FGADRP CC(C)(C)[N@@H+]1CCCN(C(=O)NCc2ccccc2C[NH+]2CCCC2)CC1 ZINC000057609857 493776505 /nfs/dbraw/zinc/77/65/05/493776505.db2.gz OMJHCLSINBYRSE-UHFFFAOYSA-N 2 0 372.557 3.298 20 0 FGADRP Cc1ccc(C(C)(C)C[N@@H+](C)CC(=O)NC2CC[NH+](C(C)C)CC2)cc1 ZINC000075861576 493786622 /nfs/dbraw/zinc/78/66/22/493786622.db2.gz GOMAYLHQIDIDDF-UHFFFAOYSA-N 2 0 359.558 3.193 20 0 FGADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)NCCC[NH+]1CCC(C)CC1 ZINC000048189842 493799110 /nfs/dbraw/zinc/79/91/10/493799110.db2.gz BUIQJRYRZRXSPE-UHFFFAOYSA-N 2 0 374.573 3.448 20 0 FGADRP CN(Cc1ccco1)C(=O)C[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000057924349 493815210 /nfs/dbraw/zinc/81/52/10/493815210.db2.gz PDOBOPIIRIDAKT-UHFFFAOYSA-N 2 0 369.509 3.082 20 0 FGADRP CC(C)[NH+]1CCC(C(=O)NC2CC[NH+]([C@@H](C)c3ccccc3)CC2)CC1 ZINC000081047706 493819657 /nfs/dbraw/zinc/81/96/57/493819657.db2.gz YIGBPVIMPNDSAU-SFHVURJKSA-N 2 0 357.542 3.449 20 0 FGADRP Cc1ccc(OC[C@@H](O)C[N@@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)cc1 ZINC000076110222 493824910 /nfs/dbraw/zinc/82/49/10/493824910.db2.gz UFONDRQFNPFCHN-VXKWHMMOSA-N 2 0 368.521 3.189 20 0 FGADRP C[C@@H](CC[NH+](C)C)NC(=O)NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000068597318 493846422 /nfs/dbraw/zinc/84/64/22/493846422.db2.gz VAEDPXMFIMSOFK-ZWKOTPCHSA-N 2 0 360.546 3.200 20 0 FGADRP CN(CC[N@H+](C)C1CCN(C)CC1)CC(C)(C)C[NH+](C)Cc1ccccc1 ZINC000574082576 505689201 /nfs/dbraw/zinc/68/92/01/505689201.db2.gz WBWTTYDPBOWEFH-UHFFFAOYSA-N 2 0 374.617 3.102 20 0 FGADRP [NH3+][C@@H](CCC(=O)NC1CC[NH+](Cc2ccncc2)CC1)CC1CCCCC1 ZINC000577218986 505690735 /nfs/dbraw/zinc/69/07/35/505690735.db2.gz PQYVGTMYZYDPLO-FQEVSTJZSA-N 2 0 372.557 3.240 20 0 FGADRP CC(=O)c1c(C)cc(C)c(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)c1C ZINC000051957875 493993800 /nfs/dbraw/zinc/99/38/00/493993800.db2.gz JNFCIXOUDQXCLI-UHFFFAOYSA-N 2 0 358.526 3.359 20 0 FGADRP CC[N@H+](C)Cc1cccc(CNC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)c1 ZINC000061794301 493995415 /nfs/dbraw/zinc/99/54/15/493995415.db2.gz GJOGNWWVKKUKEI-UHFFFAOYSA-N 2 0 360.546 3.247 20 0 FGADRP CC[N@H+](C)Cc1cccc(CNC(=O)NCCC[NH+]2CCC(C)CC2)c1 ZINC000061855844 493996474 /nfs/dbraw/zinc/99/64/74/493996474.db2.gz DSIWBPPDAQMPPU-UHFFFAOYSA-N 2 0 360.546 3.060 20 0 FGADRP CCCC[N@H+](C)CC1CC[NH+](CC(=O)N2CCCc3ccccc32)CC1 ZINC000052208877 494011455 /nfs/dbraw/zinc/01/14/55/494011455.db2.gz HMFPHZNLOIBUHW-UHFFFAOYSA-N 2 0 357.542 3.410 20 0 FGADRP C[N@H+](C[C@H](O)CNCc1ccc(-c2nc3ccccc3s2)o1)C1CC1 ZINC000571277046 505696675 /nfs/dbraw/zinc/69/66/75/505696675.db2.gz HWOLGWNFXACLMW-CQSZACIVSA-N 2 0 357.479 3.101 20 0 FGADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1cc2cc(Cl)ccc2o1 ZINC000052819179 494064833 /nfs/dbraw/zinc/06/48/33/494064833.db2.gz QCEWVOMGBJQSOM-UHFFFAOYSA-N 2 0 365.905 3.432 20 0 FGADRP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc(OCc3ccncc3)c(OC)c2)C1 ZINC000063917491 494097867 /nfs/dbraw/zinc/09/78/67/494097867.db2.gz RXASDDXGNHGZRL-HXUWFJFHSA-N 2 0 369.509 3.491 20 0 FGADRP C[C@@H](NC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1)C(C)(C)C[NH+](C)C ZINC000085423826 494124559 /nfs/dbraw/zinc/12/45/59/494124559.db2.gz GAQOQPAEEJORHU-RTBURBONSA-N 2 0 366.594 3.260 20 0 FGADRP C[C@@H]1C[C@@H](C)C[NH+](CCC[NH2+]CCC(=O)Nc2cc(F)cc(F)c2)C1 ZINC000568469228 505701803 /nfs/dbraw/zinc/70/18/03/505701803.db2.gz HYOKBHKAGYSBGD-HUUCEWRRSA-N 2 0 353.457 3.251 20 0 FGADRP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)NCC[NH+](C)Cc1ccccc1 ZINC000054763874 494267992 /nfs/dbraw/zinc/26/79/92/494267992.db2.gz KSOWHIICGZQBJE-IBGZPJMESA-N 2 0 360.546 3.072 20 0 FGADRP CC(C)[C@H](CNC(=O)NC1CC[NH+](C(C)C)CC1)[NH+]1CCCCCC1 ZINC000043168147 494274373 /nfs/dbraw/zinc/27/43/73/494274373.db2.gz RDBCSBCLVPBNSS-IBGZPJMESA-N 2 0 352.567 3.059 20 0 FGADRP C[C@@H](c1ccc(OC(F)F)cc1)[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000089269117 494282471 /nfs/dbraw/zinc/28/24/71/494282471.db2.gz HRKLJEXGKYRMRO-HNNXBMFYSA-N 2 0 355.473 3.307 20 0 FGADRP CCC[NH+]1CCC(N(C)C(=O)NCCCC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000066179011 494284851 /nfs/dbraw/zinc/28/48/51/494284851.db2.gz HROYNFPAFIUMHB-GOSISDBHSA-N 2 0 352.567 3.157 20 0 FGADRP CC(C)[C@H](CNC(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1)[NH+]1CCCCCC1 ZINC000078524428 494313572 /nfs/dbraw/zinc/31/35/72/494313572.db2.gz RLEMMDVULOKAFP-PMACEKPBSA-N 2 0 366.594 3.307 20 0 FGADRP CC[NH+](CC)Cc1ccccc1CNC(=O)NCC1CC[NH+](CC)CC1 ZINC000568535545 505717369 /nfs/dbraw/zinc/71/73/69/505717369.db2.gz WLINERGRKVMITM-UHFFFAOYSA-N 2 0 360.546 3.060 20 0 FGADRP C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)NCCC[NH+]3CCCC3)cc2)C1 ZINC000045121408 494399431 /nfs/dbraw/zinc/39/94/31/494399431.db2.gz OQYCGZDPTKZKTM-LJQANCHMSA-N 2 0 372.557 3.204 20 0 FGADRP Cc1ccccc1C[NH+]1CCC(NC(=O)N[C@H](C)C[NH+]2CCCCC2)CC1 ZINC000079168453 494412366 /nfs/dbraw/zinc/41/23/66/494412366.db2.gz OEPXTNFGICZIII-LJQANCHMSA-N 2 0 372.557 3.133 20 0 FGADRP CC(C)CN(CC[NH+](C)C)C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000079197956 494418176 /nfs/dbraw/zinc/41/81/76/494418176.db2.gz RGPCQPFKYSBLCP-UHFFFAOYSA-N 2 0 360.546 3.012 20 0 FGADRP CCc1ccc([C@@H](C)[NH2+]Cc2ccc(C(=O)NCC[NH+](C)C)cc2)s1 ZINC000090038742 494432586 /nfs/dbraw/zinc/43/25/86/494432586.db2.gz FYAGHSCQGFYTNR-OAHLLOKOSA-N 2 0 359.539 3.453 20 0 FGADRP FC(F)(F)c1cnc(OCC[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c(Cl)c1 ZINC000090082441 494438633 /nfs/dbraw/zinc/43/86/33/494438633.db2.gz YODCPFWZVZNLFF-QWHCGFSZSA-N 2 0 363.811 3.349 20 0 FGADRP Cc1ccc([C@@H](CNC(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)[NH+](C)C)cc1 ZINC000073897534 494444600 /nfs/dbraw/zinc/44/46/00/494444600.db2.gz UXZQGMSPXOLYNP-WOJBJXKFSA-N 2 0 360.546 3.114 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)NCc2cccc(C[NH+](C)C)c2)C1 ZINC000079394517 494446340 /nfs/dbraw/zinc/44/63/40/494446340.db2.gz GRZKXDYFAJXJTF-KDURUIRLSA-N 2 0 374.573 3.306 20 0 FGADRP Cc1ccc([C@@H](CNC(=O)NC[C@@H](c2cccs2)[NH+](C)C)[NH+](C)C)cc1 ZINC000067003191 494453047 /nfs/dbraw/zinc/45/30/47/494453047.db2.gz UCZPVMPGNNNZJH-MSOLQXFVSA-N 2 0 374.554 3.261 20 0 FGADRP Cc1csc(N2CCC([NH2+]C[C@H]3CCC[N@@H+](CC(C)C)C3)CC2)n1 ZINC000090585777 494484638 /nfs/dbraw/zinc/48/46/38/494484638.db2.gz HGCCSZQZDQFGHP-QGZVFWFLSA-N 2 0 350.576 3.378 20 0 FGADRP C[NH+](C)CCC1CCN(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000079578048 494485205 /nfs/dbraw/zinc/48/52/05/494485205.db2.gz IDBSZBWHKPGKMI-UHFFFAOYSA-N 2 0 372.557 3.156 20 0 FGADRP CC(C)[NH+]1CCC(C(=O)N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000074189395 494494040 /nfs/dbraw/zinc/49/40/40/494494040.db2.gz LNMKOBMSBRHESU-FQEVSTJZSA-N 2 0 357.542 3.087 20 0 FGADRP CC[NH+](CC)[C@@H]1CCN(C(=O)NCC(C)(C)[NH2+][C@H](C)c2ccccc2)C1 ZINC000074210886 494498549 /nfs/dbraw/zinc/49/85/49/494498549.db2.gz HYWBXVOXBPVEDQ-IEBWSBKVSA-N 2 0 360.546 3.242 20 0 FGADRP C[NH+](C)Cc1cccc(CNC(=O)NC[C@H](C2CCCCC2)[NH+](C)C)c1 ZINC000046313281 494514815 /nfs/dbraw/zinc/51/48/15/494514815.db2.gz GMHGKAZFGYERPQ-HXUWFJFHSA-N 2 0 360.546 3.058 20 0 FGADRP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000056503509 494517312 /nfs/dbraw/zinc/51/73/12/494517312.db2.gz FXWKIGPZYNSPGJ-RTBURBONSA-N 2 0 372.557 3.071 20 0 FGADRP CCCC[N@H+](C)CC1CC[NH+]([C@H](C(=O)NC2CC2)c2ccccc2)CC1 ZINC000074319644 494518958 /nfs/dbraw/zinc/51/89/58/494518958.db2.gz NNMHCHQUQLXCNW-NRFANRHFSA-N 2 0 357.542 3.450 20 0 FGADRP C[C@@H](NC(=O)C[NH+]1CCC(CC[NH+](C)C)CC1)c1ccccc1Cl ZINC000056525368 494520661 /nfs/dbraw/zinc/52/06/61/494520661.db2.gz LDTYVCMOLFXEDX-OAHLLOKOSA-N 2 0 351.922 3.181 20 0 FGADRP CC[NH+]1CCN(c2ccccc2NC(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC000074400378 494530301 /nfs/dbraw/zinc/53/03/01/494530301.db2.gz MDHVVRHEQLIFSI-GOSISDBHSA-N 2 0 358.530 3.032 20 0 FGADRP CC(C)[NH+]1CCC(C(=O)N(C)[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000074446646 494538246 /nfs/dbraw/zinc/53/82/46/494538246.db2.gz FMIOJPVDQQLDDP-NRFANRHFSA-N 2 0 357.542 3.230 20 0 FGADRP CC(C)[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000079945225 494554249 /nfs/dbraw/zinc/55/42/49/494554249.db2.gz SNBDIYPDDBKEGH-NQIIRXRSSA-N 2 0 357.542 3.276 20 0 FGADRP CC(C)[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000079945210 494554344 /nfs/dbraw/zinc/55/43/44/494554344.db2.gz SNBDIYPDDBKEGH-GHTZIAJQSA-N 2 0 357.542 3.276 20 0 FGADRP C[C@@H]([NH2+]C[C@H](C)CN1CC[NH+](C)CC1)c1ccc(OC(F)(F)F)cc1 ZINC000121076450 494582880 /nfs/dbraw/zinc/58/28/80/494582880.db2.gz ICSDTOBGFJSOKQ-LSDHHAIUSA-N 2 0 359.436 3.119 20 0 FGADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H](C)c1nc2ccc(Cl)cc2n1C ZINC000091369045 494587993 /nfs/dbraw/zinc/58/79/93/494587993.db2.gz MOWYDJDRMJAVGU-HIFRSBDPSA-N 2 0 352.910 3.234 20 0 FGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H]2CCCOc3ccc(Cl)cc32)CC1 ZINC000121120173 494605740 /nfs/dbraw/zinc/60/57/40/494605740.db2.gz UFMJCKLRKRSZAM-VQIMIIECSA-N 2 0 365.949 3.417 20 0 FGADRP C[C@H](O)C[NH+]1CCC(C[N@H+](C)Cc2cccc(-c3ccncc3)c2)CC1 ZINC000121124621 494607448 /nfs/dbraw/zinc/60/74/48/494607448.db2.gz WPJGOAHQETVPTP-SFHVURJKSA-N 2 0 353.510 3.273 20 0 FGADRP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)NCC(C)(C)[NH+]2CCCCC2)C1 ZINC000107834883 494608446 /nfs/dbraw/zinc/60/84/46/494608446.db2.gz DEEHVTOWZQGIGA-RTBURBONSA-N 2 0 366.594 3.308 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)NC[C@H](c1ccccc1)[NH+](C)C)c1ccco1 ZINC000067709611 494621577 /nfs/dbraw/zinc/62/15/77/494621577.db2.gz LZIKHVLNHLSZBC-RTBURBONSA-N 2 0 372.513 3.265 20 0 FGADRP C[NH+](C)C1(CNC(=O)NCC2CC[NH+](Cc3ccccc3)CC2)CCCC1 ZINC000067772556 494643872 /nfs/dbraw/zinc/64/38/72/494643872.db2.gz PLLJRAQTAZXDGG-UHFFFAOYSA-N 2 0 372.557 3.072 20 0 FGADRP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(C[NH2+]Cc3cccc(Cl)c3)c2)C1 ZINC000108420612 494703787 /nfs/dbraw/zinc/70/37/87/494703787.db2.gz FMZNEAVMWCQACA-LJQANCHMSA-N 2 0 371.912 3.327 20 0 FGADRP C[N@@H+]1CCC[C@H](C[NH2+]CC2=Cc3cc(Br)ccc3OC2)C1 ZINC000108428627 494705806 /nfs/dbraw/zinc/70/58/06/494705806.db2.gz UQEDCDQLXVAEDM-CYBMUJFWSA-N 2 0 351.288 3.156 20 0 FGADRP COc1ccc(C(=O)Nc2cccc(C[NH2+]C[C@@H]3CCC[N@H+](C)C3)c2)cc1 ZINC000108429088 494706225 /nfs/dbraw/zinc/70/62/25/494706225.db2.gz XPKVFIHBLYCGFR-SFHVURJKSA-N 2 0 367.493 3.379 20 0 FGADRP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)C1 ZINC000108428306 494706323 /nfs/dbraw/zinc/70/63/23/494706323.db2.gz GOUBILWGEOTUFB-HNNXBMFYSA-N 2 0 352.404 3.323 20 0 FGADRP C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)N2CC[NH+](C)C(C)(C)C2)c1 ZINC000580343952 505737211 /nfs/dbraw/zinc/73/72/11/505737211.db2.gz CXGQCKCMOUWNGM-UHFFFAOYSA-N 2 0 365.521 3.485 20 0 FGADRP C[C@H](C[NH2+][C@H]1CCCc2ccc(Br)cc21)N1CC[NH+](C)CC1 ZINC000092746462 494735080 /nfs/dbraw/zinc/73/50/80/494735080.db2.gz ZFGFLVSHROIZRP-KDOFPFPSSA-N 2 0 366.347 3.052 20 0 FGADRP Brc1cc2c(c(C[N@@H+]3CCC[C@H]([C@H]4CC[NH2+]C4)C3)c1)OCC2 ZINC000577492674 505739111 /nfs/dbraw/zinc/73/91/11/505739111.db2.gz NFLOAZOTOSCNRN-GJZGRUSLSA-N 2 0 365.315 3.206 20 0 FGADRP C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)CC[S@](=O)c1ccccc1 ZINC000092821165 494764210 /nfs/dbraw/zinc/76/42/10/494764210.db2.gz VEZQAWFZRNHYLF-AREMUKBSSA-N 2 0 371.550 3.428 20 0 FGADRP CNC(=O)c1ccc(C[N@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000092821669 494764432 /nfs/dbraw/zinc/76/44/32/494764432.db2.gz XPPIZIKKPXLGER-UHFFFAOYSA-N 2 0 366.509 3.180 20 0 FGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCCN2CCc3ccccc32)[C@H](C)C1 ZINC000121494624 494781315 /nfs/dbraw/zinc/78/13/15/494781315.db2.gz ZDBFHAWZILSZTO-TZIWHRDSSA-N 2 0 359.558 3.166 20 0 FGADRP C[N@@H+](Cc1ccccc1)CC1CC[NH+](Cc2cc(C(N)=O)cs2)CC1 ZINC000093006869 494805859 /nfs/dbraw/zinc/80/58/59/494805859.db2.gz JFHWTXQVXYANKC-UHFFFAOYSA-N 2 0 357.523 3.191 20 0 FGADRP CC[NH+](CC)CCCNC(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000116520323 494805847 /nfs/dbraw/zinc/80/58/47/494805847.db2.gz SOBCMTHQLDWXBN-GOSISDBHSA-N 2 0 360.546 3.243 20 0 FGADRP CC(C)c1ccc2c(c1)[C@H]([NH2+]C[C@@H](C)CN1CC[NH+](C)CC1)CCCO2 ZINC000126647485 494809719 /nfs/dbraw/zinc/80/97/19/494809719.db2.gz FQCSAGJBQZDBBL-WIYYLYMNSA-N 2 0 359.558 3.497 20 0 FGADRP O=C(C[NH+]1CCC(CCC[NH+]2CCCC2)CC1)N1CCc2ccccc2C1 ZINC000121587871 494811975 /nfs/dbraw/zinc/81/19/75/494811975.db2.gz HFUAQKMJDVAWDC-UHFFFAOYSA-N 2 0 369.553 3.159 20 0 FGADRP CCCC[NH+]1CCC(NC(=O)N[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC000132073964 494813626 /nfs/dbraw/zinc/81/36/26/494813626.db2.gz HKLOLYBOOKSHEV-GHTZIAJQSA-N 2 0 372.557 3.213 20 0 FGADRP CC(C)C[NH+]1CCN(C(=O)NC2CC[NH+]([C@@H](C)c3ccccc3)CC2)CC1 ZINC000116561103 494815814 /nfs/dbraw/zinc/81/58/14/494815814.db2.gz FGEQWRHUAQUJON-IBGZPJMESA-N 2 0 372.557 3.195 20 0 FGADRP OCC[NH+]1CCC(C[NH2+][C@@H]2CCCOc3cc4c(cc32)CCCC4)CC1 ZINC000126670625 494815824 /nfs/dbraw/zinc/81/58/24/494815824.db2.gz SXHYQGFGXDCWBW-OAQYLSRUSA-N 2 0 358.526 3.073 20 0 FGADRP C[C@@H]([NH2+]C[C@H](C)CN1CC[NH+](C)CC1)c1ccc(Br)cc1F ZINC000126704048 494822847 /nfs/dbraw/zinc/82/28/47/494822847.db2.gz GPRGFMNFFFLATI-UONOGXRCSA-N 2 0 372.326 3.122 20 0 FGADRP O=C(c1cccc(C[NH+]2CCCC2)c1)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000126733296 494828325 /nfs/dbraw/zinc/82/83/25/494828325.db2.gz UYDXSVUIAFBCHF-UNMCSNQZSA-N 2 0 367.537 3.371 20 0 FGADRP O=C([C@@H]1CCC[N@H+](Cc2ccccc2)C1)N1CCC([NH2+]C2CCCC2)CC1 ZINC000126886989 494856405 /nfs/dbraw/zinc/85/64/05/494856405.db2.gz ZDGPSVMUZJETSV-HXUWFJFHSA-N 2 0 369.553 3.422 20 0 FGADRP COc1ccc([C@H](C)[NH2+]C[C@H](C(C)C)N2CC[NH+](C)CC2)cc1Cl ZINC000132446704 494876144 /nfs/dbraw/zinc/87/61/44/494876144.db2.gz ABFPXWFVORPUDX-MAUKXSAKSA-N 2 0 353.938 3.271 20 0 FGADRP C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)N2CCC[N@@H+](C(C)(C)C)CC2)C1 ZINC000109482054 494881183 /nfs/dbraw/zinc/88/11/83/494881183.db2.gz LVTKGCNEBPZFJV-ROUUACIJSA-N 2 0 366.594 3.259 20 0 FGADRP CC[C@@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)c1cc(C)ccc1OC ZINC000093398597 494885957 /nfs/dbraw/zinc/88/59/57/494885957.db2.gz CAVKNSRYMVIBOH-HXUWFJFHSA-N 2 0 368.525 3.391 20 0 FGADRP C[NH+](C)[C@H](CNC(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C)c1ccccc1 ZINC000127157065 494902484 /nfs/dbraw/zinc/90/24/84/494902484.db2.gz DROYEBZQQOFWOS-WOJBJXKFSA-N 2 0 372.488 3.031 20 0 FGADRP CCN(Cc1cc(C(=O)OC)n(C)c1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000568681398 505750838 /nfs/dbraw/zinc/75/08/38/505750838.db2.gz IIPZJBWNEFSVTD-IBGZPJMESA-N 2 0 369.509 3.156 20 0 FGADRP Cc1cc(Cl)cc2c1OCCC[C@H]2[NH2+]C[C@H](C)N1CC[NH+](C)CC1 ZINC000122276469 494950523 /nfs/dbraw/zinc/95/05/23/494950523.db2.gz NAMMKOADGXOCNH-MAUKXSAKSA-N 2 0 351.922 3.088 20 0 FGADRP Cn1nccc1C[NH+]1CCC(c2nc(-c3ccc(F)c(F)c3)c[nH]2)CC1 ZINC000122307001 494955212 /nfs/dbraw/zinc/95/52/12/494955212.db2.gz UWQCSMCCYOVMDH-UHFFFAOYSA-N 2 0 357.408 3.468 20 0 FGADRP OC[C@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@H]21)Cc1ccco1 ZINC000571514006 505751826 /nfs/dbraw/zinc/75/18/26/505751826.db2.gz MHTPPQAZZACBTH-SNJCGAMXSA-N 2 0 368.521 3.463 20 0 FGADRP C[C@H]1CCC[N@H+](CCCCNC(=O)NCCC[NH+]2CCCC[C@@H]2C)C1 ZINC000127630721 494973457 /nfs/dbraw/zinc/97/34/57/494973457.db2.gz ZLDWUDJGWDRLSB-OALUTQOASA-N 2 0 352.567 3.062 20 0 FGADRP C[NH+](C)C1CCN(CC[NH2+][C@H]2CCCOc3cc4c(cc32)CCC4)CC1 ZINC000122554500 494993161 /nfs/dbraw/zinc/99/31/61/494993161.db2.gz STAVCOKTCARZKC-NRFANRHFSA-N 2 0 357.542 3.005 20 0 FGADRP CC[NH+](CC)CCOc1ccc(NC(=O)N2CC[C@@H]([NH+]3CCCC3)C2)cc1 ZINC000118546084 495008613 /nfs/dbraw/zinc/00/86/13/495008613.db2.gz MOWOIHYSBCNKSP-LJQANCHMSA-N 2 0 374.529 3.109 20 0 FGADRP CC(C)CC[NH+]1CCC(C[NH2+][C@H](C)CS(=O)(=O)c2ccccc2)CC1 ZINC000122658370 495010784 /nfs/dbraw/zinc/01/07/84/495010784.db2.gz JBZHXWZFCZFXBM-GOSISDBHSA-N 2 0 366.571 3.197 20 0 FGADRP C[C@@H](C[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1)N1CCC(C)CC1 ZINC000133422316 495011945 /nfs/dbraw/zinc/01/19/45/495011945.db2.gz VAYPUTRATUUIRJ-FQEVSTJZSA-N 2 0 372.601 3.427 20 0 FGADRP NC(=O)C1CC[NH+](Cc2ccc(C[NH2+][C@@H]3CCc4ccccc43)cc2)CC1 ZINC000571531322 505756106 /nfs/dbraw/zinc/75/61/06/505756106.db2.gz QZGKZFFLBZWNJD-JOCHJYFZSA-N 2 0 363.505 3.161 20 0 FGADRP CC1(C)CC(NC(=O)NCCCCC[NH+]2CCCCC2)CC(C)(C)[NH2+]1 ZINC000111445446 495075597 /nfs/dbraw/zinc/07/55/97/495075597.db2.gz CCASSODYWDRZHE-UHFFFAOYSA-N 2 0 352.567 3.251 20 0 FGADRP C[C@@H](c1nc2ccccc2s1)[C@H](C)[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000128411868 495093123 /nfs/dbraw/zinc/09/31/23/495093123.db2.gz JKZSOPLZLMPPKQ-SJORKVTESA-N 2 0 360.571 3.406 20 0 FGADRP C[NH+](C)CCCC1CC[NH+](C[C@H](O)COc2ccccc2Cl)CC1 ZINC000123192423 495095049 /nfs/dbraw/zinc/09/50/49/495095049.db2.gz XZFKSRFYLYUPSW-KRWDZBQOSA-N 2 0 354.922 3.134 20 0 FGADRP CC1(C)CC(NC(=O)N2CCC([NH2+]C3CCCC3)CC2)CC(C)(C)[NH2+]1 ZINC000128536536 495113090 /nfs/dbraw/zinc/11/30/90/495113090.db2.gz PXGXXWGXRVWYRF-UHFFFAOYSA-N 2 0 350.551 3.002 20 0 FGADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)NC2CC[NH+](C3CCCCC3)CC2)C1 ZINC000134184979 495118618 /nfs/dbraw/zinc/11/86/18/495118618.db2.gz SXDKUORIEGIQNV-GOSISDBHSA-N 2 0 364.578 3.061 20 0 FGADRP C[NH+](C)Cc1cccc(C(=O)N2CCC[N@H+](Cc3ccccc3)CC2)c1 ZINC000128614247 495124612 /nfs/dbraw/zinc/12/46/12/495124612.db2.gz LEWUFZOJDFTJEH-UHFFFAOYSA-N 2 0 351.494 3.096 20 0 FGADRP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2C[C@H](c3ccccc3)C(C)(C)C2)CC1 ZINC000134278573 495129043 /nfs/dbraw/zinc/12/90/43/495129043.db2.gz PMDKQCYMRIWJDD-HXUWFJFHSA-N 2 0 357.542 3.101 20 0 FGADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)N[C@@H](C[NH3+])c1ccc2ccccc2c1 ZINC000577604942 505763136 /nfs/dbraw/zinc/76/31/36/505763136.db2.gz KQWRUEBZQGVZKS-PMACEKPBSA-N 2 0 354.498 3.013 20 0 FGADRP O=C(C[N@@H+]1CCC[C@H]1C1CCC1)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000102927915 495174249 /nfs/dbraw/zinc/17/42/49/495174249.db2.gz FKPYJCJUONMMBX-FQEVSTJZSA-N 2 0 373.566 3.438 20 0 FGADRP O[C@H](COc1ccccc1Cl)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134874642 495213121 /nfs/dbraw/zinc/21/31/21/495213121.db2.gz ZSLRZLUKUXEOEW-HHXXYDBFSA-N 2 0 364.917 3.028 20 0 FGADRP C[NH+]1CCC(CCNC(=O)NCc2ccccc2C[NH+]2CCCCC2)CC1 ZINC000103300801 495214938 /nfs/dbraw/zinc/21/49/38/495214938.db2.gz MSROBMXHVVEHLZ-UHFFFAOYSA-N 2 0 372.557 3.204 20 0 FGADRP c1cn(C2CCCC2)nc1CNc1ncnc2c1cnn2-c1ccncc1 ZINC000119757284 495234314 /nfs/dbraw/zinc/23/43/14/495234314.db2.gz MQZIGCQXYGUQFN-UHFFFAOYSA-N 2 0 360.425 3.134 20 0 FGADRP CN(CC1CC[NH+](C)CC1)C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000103599240 495249155 /nfs/dbraw/zinc/24/91/55/495249155.db2.gz BFLGCLRLFAYUMX-UHFFFAOYSA-N 2 0 372.557 3.156 20 0 FGADRP C[C@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)[N@H+](C)CCCn1ccnc1 ZINC000124248346 495256935 /nfs/dbraw/zinc/25/69/35/495256935.db2.gz LNYYBQUQQRJUKC-CYBMUJFWSA-N 2 0 370.375 3.131 20 0 FGADRP CN(C)CC[NH+]1CCC(C[NH2+][C@H]2CCSc3ccc(F)cc32)CC1 ZINC000124319370 495268959 /nfs/dbraw/zinc/26/89/59/495268959.db2.gz BDDYTLXKKILBPE-SFHVURJKSA-N 2 0 351.535 3.226 20 0 FGADRP CC1CC[NH+](CC(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000119967687 495279215 /nfs/dbraw/zinc/27/92/15/495279215.db2.gz OEMXTDXDARIEKW-CTNGQTDRSA-N 2 0 357.542 3.230 20 0 FGADRP CC(C)[NH+]1CCN(c2cccc(NC(=O)C[C@H](C)C3CC[NH2+]CC3)c2)CC1 ZINC000568760179 505772458 /nfs/dbraw/zinc/77/24/58/505772458.db2.gz NXXCGPHUMSUKPP-SFHVURJKSA-N 2 0 372.557 3.181 20 0 FGADRP CC[NH+](CC)[C@H](C(=O)NCc1cccc(C[NH+](C)C)c1)c1ccccc1 ZINC000104837395 495309437 /nfs/dbraw/zinc/30/94/37/495309437.db2.gz CEUYVLGRMFXZQP-NRFANRHFSA-N 2 0 353.510 3.448 20 0 FGADRP C[C@@H]([NH2+]C1(CNC(=O)NCC2CC[NH+](C)CC2)CCCC1)c1ccccc1 ZINC000113616681 495320831 /nfs/dbraw/zinc/32/08/31/495320831.db2.gz CQAMJVDMUUFRJC-GOSISDBHSA-N 2 0 372.557 3.291 20 0 FGADRP CC[C@H](C)[N@H+](C)CCNC(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000113612716 495320999 /nfs/dbraw/zinc/32/09/99/495320999.db2.gz FARQEZXSECGGBN-SFHVURJKSA-N 2 0 360.546 3.023 20 0 FGADRP CCN(CC)C(=O)C[C@H](C)[NH2+]C1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000124723619 495333417 /nfs/dbraw/zinc/33/34/17/495333417.db2.gz YFFNUJACTHANBG-FHWLQOOXSA-N 2 0 359.558 3.380 20 0 FGADRP CC1CC[NH+](Cc2ccc(CNC(=O)N3CCC[C@H]([NH+](C)C)C3)cc2)CC1 ZINC000105112859 495337766 /nfs/dbraw/zinc/33/77/66/495337766.db2.gz AXNZDCOKEFBHCI-NRFANRHFSA-N 2 0 372.557 3.154 20 0 FGADRP CCCC[N@H+](C)CC1CCN(C(=O)NC[C@@H]2CCC[NH+](C(C)C)C2)CC1 ZINC000105274768 495351550 /nfs/dbraw/zinc/35/15/50/495351550.db2.gz GKMZGFGPPKJOGM-FQEVSTJZSA-N 2 0 366.594 3.260 20 0 FGADRP CCC[NH+]1CCC(NC(=O)N2CCC[N@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000124955406 495370023 /nfs/dbraw/zinc/37/00/23/495370023.db2.gz HBDQEYFGMBNTIK-IBGZPJMESA-N 2 0 372.557 3.167 20 0 FGADRP CC(C)Oc1ccc([C@H](C)[NH2+]Cc2ccc(N3CC[NH+](C)CC3)nc2)cc1 ZINC000130514838 495404642 /nfs/dbraw/zinc/40/46/42/495404642.db2.gz FOUOHRSCGBDXLI-SFHVURJKSA-N 2 0 368.525 3.471 20 0 FGADRP CC[C@H]([NH2+]CCCC[NH+]1CCN(c2cccc(C)c2)CC1)[C@@H]1CCOC1 ZINC000125334252 495428052 /nfs/dbraw/zinc/42/80/52/495428052.db2.gz GMXHKNTZKKVFQB-IRLDBZIGSA-N 2 0 359.558 3.302 20 0 FGADRP C[C@H](C[NH2+][C@H](C)CC(=O)Nc1cccnc1Cl)C[NH+]1CCCCC1 ZINC000125565823 495463523 /nfs/dbraw/zinc/46/35/23/495463523.db2.gz CAFINOLSIBHILU-HUUCEWRRSA-N 2 0 352.910 3.164 20 0 FGADRP C[C@H](C[NH2+][C@@H]1CCCOc2c(Cl)cccc21)CN1CC[NH+](C)CC1 ZINC000120848462 495469917 /nfs/dbraw/zinc/46/99/17/495469917.db2.gz YGQMDCVNAYKGMX-CRAIPNDOSA-N 2 0 351.922 3.027 20 0 FGADRP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N[C@@H](C[NH3+])c2ccc3ccccc3c2)C1 ZINC000571656832 505784401 /nfs/dbraw/zinc/78/44/01/505784401.db2.gz KLSDZLNQRFASNN-UWJYYQICSA-N 2 0 368.525 3.259 20 0 FGADRP CC(C)(C)[C@H](C[N@@H+]1CCc2ccccc2C1)NC(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000577749329 505784877 /nfs/dbraw/zinc/78/48/77/505784877.db2.gz YDBKTVYSVCZGAI-IHPCNDPISA-N 2 0 357.542 3.093 20 0 FGADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)CC(=O)Nc2cccnc2Cl)C1 ZINC000125729087 495488858 /nfs/dbraw/zinc/48/88/58/495488858.db2.gz YWXHKOFFUBXIKH-GJZGRUSLSA-N 2 0 352.910 3.162 20 0 FGADRP CC(C)[C@H](C(=O)Nc1ccc(NC(=O)C[NH+]2CCCCCC2)cc1)[NH+](C)C ZINC000106907817 495510237 /nfs/dbraw/zinc/51/02/37/495510237.db2.gz WINMELGOERMJME-HXUWFJFHSA-N 2 0 374.529 3.026 20 0 FGADRP C[C@H](C[NH2+][C@H](C)c1nc(-c2ccccc2)cs1)CN1CC[NH+](C)CC1 ZINC000121048525 495512091 /nfs/dbraw/zinc/51/20/91/495512091.db2.gz NXCMJBFBVSZSDI-IAGOWNOFSA-N 2 0 358.555 3.344 20 0 FGADRP CC[NH+]1CCN([C@H]2CC[N@H+](CCCOc3ccc(C(C)(C)C)cc3)C2)CC1 ZINC000107371365 495526079 /nfs/dbraw/zinc/52/60/79/495526079.db2.gz YYWKMLARJQVTSU-NRFANRHFSA-N 2 0 373.585 3.465 20 0 FGADRP C[C@@H](C1CC1)[N@H+](CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)C1CC1 ZINC000170643295 495543558 /nfs/dbraw/zinc/54/35/58/495543558.db2.gz MACAQTOODWDDHG-INIZCTEOSA-N 2 0 373.566 3.437 20 0 FGADRP O=C([C@@H]1CCCCC[NH2+]1)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000580569170 505788400 /nfs/dbraw/zinc/78/84/00/505788400.db2.gz CAGDHRGXVOFXQE-UNMCSNQZSA-N 2 0 355.526 3.033 20 0 FGADRP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000176240212 495560652 /nfs/dbraw/zinc/56/06/52/495560652.db2.gz OSPHATGSVCMRKR-UIFIKXQLSA-N 2 0 372.557 3.384 20 0 FGADRP C[C@H]([NH2+]CCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1ccc(NS(C)(=O)=O)cc1 ZINC000158658496 495561150 /nfs/dbraw/zinc/56/11/50/495561150.db2.gz NDKSUOAMZLCBDZ-BBWFWOEESA-N 2 0 367.559 3.077 20 0 FGADRP CN1CC[NH+](CCCC[NH2+][C@H]2CCCOc3c(Cl)cccc32)CC1 ZINC000154359516 495593103 /nfs/dbraw/zinc/59/31/03/495593103.db2.gz JSYLUBGTLIFXFR-SFHVURJKSA-N 2 0 351.922 3.171 20 0 FGADRP C[N@H+](Cc1ccccc1C[NH2+][C@H]1CCCS(=O)(=O)C1)C1CCCCC1 ZINC000182534273 495602945 /nfs/dbraw/zinc/60/29/45/495602945.db2.gz WHRCSWFSJPYMTM-IBGZPJMESA-N 2 0 364.555 3.118 20 0 FGADRP C[N@@H+]1CC[C@H](NC(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)[C@@H]1c1ccccc1 ZINC000179474759 495605829 /nfs/dbraw/zinc/60/58/29/495605829.db2.gz ORJBFWMSXFFIND-ACRUOGEOSA-N 2 0 370.541 3.092 20 0 FGADRP Cc1cccc(CN(CC[NH+](C)C)C(=O)NC[C@@H]2CC[N@@H+](CC(C)C)C2)c1 ZINC000150751239 495621610 /nfs/dbraw/zinc/62/16/10/495621610.db2.gz QFVCBVSMAYVICF-NRFANRHFSA-N 2 0 374.573 3.046 20 0 FGADRP C[NH+](C)CCC1CC[NH+]([C@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)CC1 ZINC000154461318 495623078 /nfs/dbraw/zinc/62/30/78/495623078.db2.gz BOGZQEOMHMTMDC-SFHVURJKSA-N 2 0 367.896 3.248 20 0 FGADRP CC[NH+](CC)CCCC1CCN(C(=O)NCCC2CC[NH+](C)CC2)CC1 ZINC000182585159 495626085 /nfs/dbraw/zinc/62/60/85/495626085.db2.gz XQMZMCHKCIZEOJ-UHFFFAOYSA-N 2 0 366.594 3.262 20 0 FGADRP C[NH+](C)CCOc1ccc(NC(=O)c2ccc(CC[NH+](C)C)cc2)c(F)c1 ZINC000571701191 505793921 /nfs/dbraw/zinc/79/39/21/505793921.db2.gz TYVYNNQCHVPOKJ-UHFFFAOYSA-N 2 0 373.472 3.123 20 0 FGADRP Cc1ccc(NC(=O)N2CC[NH+](C3CCCC3)CC2)c(OCC[NH+](C)C)c1 ZINC000154635634 495679679 /nfs/dbraw/zinc/67/96/79/495679679.db2.gz IFZPZUYVERQIJS-UHFFFAOYSA-N 2 0 374.529 3.028 20 0 FGADRP CC[C@@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)c1ccccc1OC ZINC000159198952 495682027 /nfs/dbraw/zinc/68/20/27/495682027.db2.gz ICBJDOOPJHYXJI-LJQANCHMSA-N 2 0 354.498 3.083 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2cc(=O)n3ccccc3n2)CC1 ZINC000151142068 495751126 /nfs/dbraw/zinc/75/11/26/495751126.db2.gz HVVPWBLWZSUUEG-GOSISDBHSA-N 2 0 368.525 3.171 20 0 FGADRP CCC[N@H+](C)C[C@@H]1CC[NH+](C[C@H](O)Cc2ccccc2C(F)(F)F)C1 ZINC000154869403 495754662 /nfs/dbraw/zinc/75/46/62/495754662.db2.gz ORTOAKDGNMCEEP-DOTOQJQBSA-N 2 0 358.448 3.273 20 0 FGADRP C[NH+]1CCN(CCC(C)(C)[NH2+]Cc2ccc(Br)c(F)c2)CC1 ZINC000185891959 495767700 /nfs/dbraw/zinc/76/77/00/495767700.db2.gz OMGZIXJTNFSDBT-UHFFFAOYSA-N 2 0 372.326 3.094 20 0 FGADRP Cc1ccc(C[NH2+]C(C)(C)CCN2CC[NH+](C)CC2)cc1Br ZINC000185896920 495770796 /nfs/dbraw/zinc/77/07/96/495770796.db2.gz PLYKZDAJOLAXQD-UHFFFAOYSA-N 2 0 368.363 3.263 20 0 FGADRP C[C@@H](c1ccc(Br)cc1)[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000182954559 495773211 /nfs/dbraw/zinc/77/32/11/495773211.db2.gz GECJUGPNPOFDGA-HNNXBMFYSA-N 2 0 354.336 3.079 20 0 FGADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H]1CCCc2nc(-c3ccccc3)sc21 ZINC000154925986 495773909 /nfs/dbraw/zinc/77/39/09/495773909.db2.gz FPLMTPADQDGESB-SJLPKXTDSA-N 2 0 370.566 3.413 20 0 FGADRP Fc1ccc2oc(C[NH+]3CCC(CCC[NH+]4CCOCC4)CC3)nc2c1 ZINC000182955856 495774714 /nfs/dbraw/zinc/77/47/14/495774714.db2.gz YWCPVRPPNODRHQ-UHFFFAOYSA-N 2 0 361.461 3.291 20 0 FGADRP COc1cccc(C[C@@H]([NH2+][C@@H](C)CN2CC[NH+](C)CC2)c2ccccc2)c1 ZINC000154936943 495778069 /nfs/dbraw/zinc/77/80/69/495778069.db2.gz DGWCLZHUVSRTJP-WMZHIEFXSA-N 2 0 367.537 3.205 20 0 FGADRP O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)N1CC[NH+](C2CCCCC2)CC1 ZINC000151283178 495793761 /nfs/dbraw/zinc/79/37/61/495793761.db2.gz ADGMTBJBVACVLX-LJQANCHMSA-N 2 0 374.529 3.076 20 0 FGADRP CC[C@H]([NH2+][C@@H](C)CN1CC[NH+](C)CC1)c1cccc(Br)c1 ZINC000155094731 495834180 /nfs/dbraw/zinc/83/41/80/495834180.db2.gz TWDKZXXGRKOCJA-YOEHRIQHSA-N 2 0 354.336 3.126 20 0 FGADRP CCOc1ccc([C@H](CC)[NH2+][C@H](C)CN2CC[NH+](C)CC2)cc1OCC ZINC000155102876 495837627 /nfs/dbraw/zinc/83/76/27/495837627.db2.gz AACDTZUKPXDLJK-MJGOQNOKSA-N 2 0 363.546 3.161 20 0 FGADRP C[NH+](C)CCNC(=O)c1ccc(C[NH2+][C@@H]2CCCc3cc(F)ccc32)cc1 ZINC000183289943 495917247 /nfs/dbraw/zinc/91/72/47/495917247.db2.gz XDBCVAQBIYHTDV-OAQYLSRUSA-N 2 0 369.484 3.284 20 0 FGADRP CC(C)[NH+](CCCNC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1)C(C)C ZINC000174355888 495925329 /nfs/dbraw/zinc/92/53/29/495925329.db2.gz HYHVXINYQMRFPZ-IBGZPJMESA-N 2 0 352.567 3.155 20 0 FGADRP Cc1ccccc1[C@H](CN1CCOCC1)[NH2+]Cc1cccc(C[NH+](C)C)c1 ZINC000183326775 495932401 /nfs/dbraw/zinc/93/24/01/495932401.db2.gz LMEHIZOCPANQJP-QHCPKHFHSA-N 2 0 367.537 3.220 20 0 FGADRP CC[NH+]1CCC(NC(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000155370833 495936953 /nfs/dbraw/zinc/93/69/53/495936953.db2.gz DKYCXPINIZYREW-WIYYLYMNSA-N 2 0 372.557 3.165 20 0 FGADRP C[C@@H]([NH2+]CC1CC[NH+](CCO)CC1)c1ccc(SCC(F)F)cc1 ZINC000151793378 495950035 /nfs/dbraw/zinc/95/00/35/495950035.db2.gz ZMBXUTPVAIMZGE-CQSZACIVSA-N 2 0 358.498 3.399 20 0 FGADRP OCC[NH+]1CCC(C[NH2+][C@@H]2CCCc3nc(-c4ccccc4)sc32)CC1 ZINC000151801444 495951781 /nfs/dbraw/zinc/95/17/81/495951781.db2.gz QKYYCHNHRCCJMG-GOSISDBHSA-N 2 0 371.550 3.481 20 0 FGADRP CCN(C(=O)c1ccc(C[NH+](C)C)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000186340091 495956228 /nfs/dbraw/zinc/95/62/28/495956228.db2.gz ZHKDXVSHISCUIE-QFIPXVFZSA-N 2 0 365.521 3.485 20 0 FGADRP CC(C)n1cc([C@@H](C)[NH2+]CCCN2CC[NH+](Cc3ccccc3)CC2)cn1 ZINC000151914450 495990675 /nfs/dbraw/zinc/99/06/75/495990675.db2.gz VIDGFZBNWPTHRH-HXUWFJFHSA-N 2 0 369.557 3.323 20 0 FGADRP O=C(c1cccc(C[NH+]2CCCC2)c1)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000174537678 495999431 /nfs/dbraw/zinc/99/94/31/495999431.db2.gz FHYOYZUNFTWWMY-FQEVSTJZSA-N 2 0 355.526 3.230 20 0 FGADRP COc1ccc(-c2noc([C@H](C)[NH+]3CCC(CC[NH+](C)C)CC3)n2)cc1 ZINC000151965003 496007203 /nfs/dbraw/zinc/00/72/03/496007203.db2.gz PQIKUKIVMSRKFT-HNNXBMFYSA-N 2 0 358.486 3.470 20 0 FGADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H](C)c2ccc(OC(F)(F)F)cc2)CC1 ZINC000155745798 496054844 /nfs/dbraw/zinc/05/48/44/496054844.db2.gz PFYZGOOBIUJSOB-CABCVRRESA-N 2 0 359.436 3.262 20 0 FGADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+][C@H]1CCc2c1cccc2Br ZINC000186582261 496055197 /nfs/dbraw/zinc/05/51/97/496055197.db2.gz PKDCWDCCMAVWDO-KSSFIOAISA-N 2 0 366.347 3.052 20 0 FGADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H](C)CCc1ccc(OC(F)F)cc1 ZINC000186592459 496061963 /nfs/dbraw/zinc/06/19/63/496061963.db2.gz RYUSRUFKYGEHFQ-DLBZAZTESA-N 2 0 369.500 3.225 20 0 FGADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1ccccc1Br ZINC000186601286 496066845 /nfs/dbraw/zinc/06/68/45/496066845.db2.gz CWSSSWJPDSAOGA-CABCVRRESA-N 2 0 354.336 3.126 20 0 FGADRP CC(=O)N1CC([NH2+][C@@H](CCC[NH+]2CCC(C)CC2)c2ccc(F)cc2)C1 ZINC000571820892 505822086 /nfs/dbraw/zinc/82/20/86/505822086.db2.gz YCWXUTNKKGTKRR-NRFANRHFSA-N 2 0 361.505 3.199 20 0 FGADRP CN(C)c1cc[nH+]cc1C(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000183711600 496089231 /nfs/dbraw/zinc/08/92/31/496089231.db2.gz WNXHEKCSQITCGK-KBXCAEBGSA-N 2 0 358.511 3.022 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H](NC[C@@H](c2ccco2)[NH+]2CCCC2)[C@H](C)C1 ZINC000152271384 496100194 /nfs/dbraw/zinc/10/01/94/496100194.db2.gz UIFWXWCWXOGTPD-AABGKKOBSA-N 2 0 363.546 3.143 20 0 FGADRP C[C@H]1CCC[C@@H]([NH+]2CCC([NH2+]C3CCN(c4ncccn4)CC3)CC2)C1 ZINC000155902810 496102192 /nfs/dbraw/zinc/10/21/92/496102192.db2.gz QYMJRZRDNQFZDR-FXAWDEMLSA-N 2 0 357.546 3.078 20 0 FGADRP CCC[N@H+](C)C[C@@H]1CCN(CC(=O)N(Cc2ccccc2)C(C)(C)C)C1 ZINC000174969284 496186252 /nfs/dbraw/zinc/18/62/52/496186252.db2.gz KLMASYQMQJVORT-FQEVSTJZSA-N 2 0 359.558 3.477 20 0 FGADRP C[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)c1cc(F)c(F)c(F)c1 ZINC000177826732 496212650 /nfs/dbraw/zinc/21/26/50/496212650.db2.gz ZGKGOGQYVYXGBE-CYBMUJFWSA-N 2 0 364.415 3.102 20 0 FGADRP Cc1ccc(C[C@@H]([NH2+]Cc2ccc(N3CC[NH+](C)CC3)nc2)C2CC2)cc1 ZINC000177828375 496214543 /nfs/dbraw/zinc/21/45/43/496214543.db2.gz IUKKBSIQBZOEAJ-JOCHJYFZSA-N 2 0 364.537 3.253 20 0 FGADRP CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)N[C@@H]1CC(C)(C)c2ccccc21 ZINC000152739874 496241790 /nfs/dbraw/zinc/24/17/90/496241790.db2.gz FAYNCARMKDXEFV-HXUWFJFHSA-N 2 0 372.557 3.076 20 0 FGADRP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC000156444629 496246748 /nfs/dbraw/zinc/24/67/48/496246748.db2.gz NVXVBAHMTOABGP-ICSRJNTNSA-N 2 0 357.542 3.475 20 0 FGADRP CC[N@H+](C)C[C@H]1CCN(C(=O)NC2CCC([NH+]3CCC(C)CC3)CC2)C1 ZINC000152768858 496250956 /nfs/dbraw/zinc/25/09/56/496250956.db2.gz MJEKUBJXWNCPDQ-XEVCZEQESA-N 2 0 364.578 3.013 20 0 FGADRP CCC[NH+]1CCC(N(C)C(=O)N[C@H](C)C[N@H+](C)Cc2ccccc2)CC1 ZINC000181061421 496257286 /nfs/dbraw/zinc/25/72/86/496257286.db2.gz OTRWXZQRIYZYJK-GOSISDBHSA-N 2 0 360.546 3.023 20 0 FGADRP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000181066192 496257913 /nfs/dbraw/zinc/25/79/13/496257913.db2.gz BTCUDXCNPDUIIK-CTNGQTDRSA-N 2 0 372.557 3.167 20 0 FGADRP CC(=O)Nc1cccc([C@@H](C)[NH2+]C2CCN(CCc3ccncc3)CC2)c1 ZINC000152810016 496263260 /nfs/dbraw/zinc/26/32/60/496263260.db2.gz FLGHJRFBPPLKHM-QGZVFWFLSA-N 2 0 366.509 3.398 20 0 FGADRP Cc1ccccc1C[NH+]1CCC(NC(=O)C[NH2+]C2[C@H](C)CCC[C@H]2C)CC1 ZINC000574697536 505834471 /nfs/dbraw/zinc/83/44/71/505834471.db2.gz UYCYIHMXTJVPKB-RTBURBONSA-N 2 0 371.569 3.490 20 0 FGADRP CC(C)[C@H](Cc1ccccc1)[NH2+]Cc1cccnc1N1CC[NH+](C)CC1 ZINC000187081053 496284048 /nfs/dbraw/zinc/28/40/48/496284048.db2.gz OQUDBAIXWCWLLL-NRFANRHFSA-N 2 0 352.526 3.190 20 0 FGADRP Cc1ccccc1C[NH+]1CCC(NC(=O)CC2(C[NH3+])CCCCC2)CC1 ZINC000184222497 496292838 /nfs/dbraw/zinc/29/28/38/496292838.db2.gz XWFWMYMWCFYNHC-UHFFFAOYSA-N 2 0 357.542 3.375 20 0 FGADRP CC[NH+](CC)CCCNC(=O)C1CC[NH+]([C@H](C)c2cccc(F)c2)CC1 ZINC000172431579 496295376 /nfs/dbraw/zinc/29/53/76/496295376.db2.gz SNGVXWCYHCGTHM-QGZVFWFLSA-N 2 0 363.521 3.447 20 0 FGADRP C[C@@]1(C[NH2+]C2CCN(CC(F)F)CC2)CCCN1Cc1ccccc1 ZINC000152949439 496305076 /nfs/dbraw/zinc/30/50/76/496305076.db2.gz FXDOTWFKPDOJKK-FQEVSTJZSA-N 2 0 351.485 3.360 20 0 FGADRP Cc1ccccc1C[NH+]1CCC(NC(=O)C[NH2+][C@H]2CCCC[C@H]2C)CC1 ZINC000162437941 496352869 /nfs/dbraw/zinc/35/28/69/496352869.db2.gz WMRXDHRTMZLXHJ-NQIIRXRSSA-N 2 0 357.542 3.244 20 0 FGADRP COc1ccc(OC)c([C@@H](C)[NH2+]Cc2cccc(OCC[NH+](C)C)c2)c1 ZINC000162538554 496369583 /nfs/dbraw/zinc/36/95/83/496369583.db2.gz DFOUAQVCBHLSJH-MRXNPFEDSA-N 2 0 358.482 3.495 20 0 FGADRP C[C@@H]([NH2+]CCc1ccc2c(c1)CCO2)c1ccc(OCC[NH+](C)C)cc1 ZINC000178232171 496379444 /nfs/dbraw/zinc/37/94/44/496379444.db2.gz MDNUSEMDOLXSIX-QGZVFWFLSA-N 2 0 354.494 3.455 20 0 FGADRP COc1ccc([C@H](C)[C@@H](C)[NH2+]C2CCN(C3CC[NH+](C)CC3)CC2)cc1 ZINC000178242284 496384348 /nfs/dbraw/zinc/38/43/48/496384348.db2.gz UVLMCKYSXGOXGW-QZTJIDSGSA-N 2 0 359.558 3.335 20 0 FGADRP CC1CC[NH+](C2CCC(NC(=O)N(C)CC3([NH+](C)C)CCC3)CC2)CC1 ZINC000187333547 496397774 /nfs/dbraw/zinc/39/77/74/496397774.db2.gz GHFSKTRHOJNJLG-UHFFFAOYSA-N 2 0 364.578 3.155 20 0 FGADRP O=C(CC[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1)NCc1ccccc1Cl ZINC000157116222 496409789 /nfs/dbraw/zinc/40/97/89/496409789.db2.gz DUQZNLLPEINWNJ-GOSISDBHSA-N 2 0 363.933 3.297 20 0 FGADRP COc1ccc(C[C@H](C)C[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)cc1F ZINC000187403413 496427243 /nfs/dbraw/zinc/42/72/43/496427243.db2.gz SKIWHUGTEWPSCU-WMZOPIPTSA-N 2 0 364.505 3.103 20 0 FGADRP CC[NH+]1CCN(Cc2ccccc2C[NH2+][C@@H]2[C@H]3CCCO[C@@H]3C2(C)C)CC1 ZINC000181518625 496429544 /nfs/dbraw/zinc/42/95/44/496429544.db2.gz LENYTBJVOQXQHQ-VSKRKVRLSA-N 2 0 371.569 3.117 20 0 FGADRP C[C@@H]([NH2+]C[C@@H]1CCN(CC(F)(F)F)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000163092396 496463146 /nfs/dbraw/zinc/46/31/46/496463146.db2.gz CIEFSLRBNGQYIU-CVEARBPZSA-N 2 0 373.463 3.162 20 0 FGADRP CC(C)[N@@H+]1CCCN(C(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000163115551 496467765 /nfs/dbraw/zinc/46/77/65/496467765.db2.gz YXERRLVNIVEMQS-UHFFFAOYSA-N 2 0 357.542 3.231 20 0 FGADRP CC(C)[NH2+]C1CCN(C(=O)NCC[C@@H](C)[N@H+](C)Cc2ccccc2)CC1 ZINC000175641069 496478947 /nfs/dbraw/zinc/47/89/47/496478947.db2.gz RDIUVIBLRKWSBN-GOSISDBHSA-N 2 0 360.546 3.069 20 0 FGADRP CC[NH+](CC)Cc1ccc(CNC(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)cc1 ZINC000175643464 496480161 /nfs/dbraw/zinc/48/01/61/496480161.db2.gz GUMGTNCQGQCJSQ-VQTJNVASSA-N 2 0 360.546 3.200 20 0 FGADRP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000175646348 496481592 /nfs/dbraw/zinc/48/15/92/496481592.db2.gz PPQXYLJSMAMNLW-NHCUHLMSSA-N 2 0 372.557 3.345 20 0 FGADRP CN(CC1CC[NH+](C)CC1)C(=O)NC[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000157502639 496489915 /nfs/dbraw/zinc/48/99/15/496489915.db2.gz XRXAIVCRRGVYPV-QFIPXVFZSA-N 2 0 372.557 3.024 20 0 FGADRP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)C1 ZINC000157500079 496490136 /nfs/dbraw/zinc/49/01/36/496490136.db2.gz YGJNTMLRFJEZOM-OALUTQOASA-N 2 0 364.578 3.157 20 0 FGADRP CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)C12CCCC2 ZINC000181707567 496511056 /nfs/dbraw/zinc/51/10/56/496511056.db2.gz UBRUVTDBGYROOU-FGZHOGPDSA-N 2 0 372.553 3.471 20 0 FGADRP Cc1ccccc1C[NH+]1CCC(NC(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000175730065 496519209 /nfs/dbraw/zinc/51/92/09/496519209.db2.gz ATHQMKGHXVMGSW-SFTDATJTSA-N 2 0 372.557 3.131 20 0 FGADRP C[NH+]1CCN(c2ccc(C[NH2+]CCCCCOc3ccccc3)cn2)CC1 ZINC000187650453 496521004 /nfs/dbraw/zinc/52/10/04/496521004.db2.gz PZRVIQVBSQPPFP-UHFFFAOYSA-N 2 0 368.525 3.172 20 0 FGADRP Cc1nn(C)cc1[C@H](C)[NH2+][C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000178758600 496561970 /nfs/dbraw/zinc/56/19/70/496561970.db2.gz AQFRZZASSCCMJM-GJZGRUSLSA-N 2 0 359.493 3.031 20 0 FGADRP CC[C@@H]1CN(C(=O)C2CC[NH+](C(C)C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000184914715 496582980 /nfs/dbraw/zinc/58/29/80/496582980.db2.gz SBARRCSNKBQRGN-OAQYLSRUSA-N 2 0 357.542 3.230 20 0 FGADRP CC[NH+](CC)CCCC1CCN(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000571952054 505853956 /nfs/dbraw/zinc/85/39/56/505853956.db2.gz BLBMPDGXBBHFCW-UXHICEINSA-N 2 0 364.578 3.157 20 0 FGADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000164271824 496600885 /nfs/dbraw/zinc/60/08/85/496600885.db2.gz QPSIIJNLEQKSBU-NRFANRHFSA-N 2 0 371.569 3.479 20 0 FGADRP Cc1cccc(C[NH+]2CCC(NC(=O)C[C@@H](C)C3CC[NH2+]CC3)CC2)c1 ZINC000164546441 496617549 /nfs/dbraw/zinc/61/75/49/496617549.db2.gz YTCZTBYJGUKGSF-GOSISDBHSA-N 2 0 357.542 3.101 20 0 FGADRP Cc1ccc(C[C@H](CO)[NH2+][C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000571960598 505855289 /nfs/dbraw/zinc/85/52/89/505855289.db2.gz PAIKRGVLVOPWOC-WTIAFYNJSA-N 2 0 352.522 3.399 20 0 FGADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+][C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000164740580 496629904 /nfs/dbraw/zinc/62/99/04/496629904.db2.gz CNXIEQANYBSWOZ-GZOSKZMVSA-N 2 0 366.347 3.346 20 0 FGADRP C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)CC3CC[NH2+]CC3)cc2)C1 ZINC000164839846 496634010 /nfs/dbraw/zinc/63/40/10/496634010.db2.gz CZWWQEDUWMFKAD-ROUUACIJSA-N 2 0 357.542 3.170 20 0 FGADRP CC(C)[NH+](CCNC(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(C)C ZINC000173326880 496644192 /nfs/dbraw/zinc/64/41/92/496644192.db2.gz UYTJVVGUARUTAV-OAQYLSRUSA-N 2 0 374.573 3.269 20 0 FGADRP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2F)CC1)[C@@H]([NH3+])c1ccccc1 ZINC000165159608 496649740 /nfs/dbraw/zinc/64/97/40/496649740.db2.gz NLAHNOCQHUOPDK-HRAATJIYSA-N 2 0 369.484 3.242 20 0 FGADRP COc1cc([C@H](C)[NH2+]CC2(N3CCCCC3)CC[NH+](C)CC2)ccc1F ZINC000154031197 496660068 /nfs/dbraw/zinc/66/00/68/496660068.db2.gz LHFVGMGTLUHIGX-KRWDZBQOSA-N 2 0 363.521 3.435 20 0 FGADRP C[C@@H](O)C[C@H]1CCC[N@@H+]1Cc1cccc(C[NH+]2CCC[C@H]2C[C@@H](C)O)c1 ZINC000179090793 496671655 /nfs/dbraw/zinc/67/16/55/496671655.db2.gz QGWKHRDSVPNGHR-YHBROIRLSA-N 2 0 360.542 3.157 20 0 FGADRP COc1cccc(C[NH2+][C@H](C)c2ccc(OCC[NH+](C)C)cc2)c1OC ZINC000165940948 496672643 /nfs/dbraw/zinc/67/26/43/496672643.db2.gz HYRUDGKGMJSHFL-MRXNPFEDSA-N 2 0 358.482 3.495 20 0 FGADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H](C)c1ccc(OC)c(Br)c1 ZINC000165929386 496673141 /nfs/dbraw/zinc/67/31/41/496673141.db2.gz WWQCJXFSACWDQZ-DZGCQCFKSA-N 2 0 373.335 3.465 20 0 FGADRP Cc1ccc([C@@H](CNC(=O)C[C@H](C)C2CC[NH2+]CC2)[NH+]2CCCC2)cc1 ZINC000166329341 496683293 /nfs/dbraw/zinc/68/32/93/496683293.db2.gz RXACMQFGWZRBOB-GHTZIAJQSA-N 2 0 357.542 3.274 20 0 FGADRP CC1(C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)CC[NH+](Cc2ccccc2)CC1 ZINC000182140275 496684994 /nfs/dbraw/zinc/68/49/94/496684994.db2.gz QYLQGQXLLJSIFQ-NRFANRHFSA-N 2 0 369.553 3.233 20 0 FGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+][C@@H](C)c2ccc(OC)c(OC)c2)[C@H](C)C1 ZINC000173420285 496685304 /nfs/dbraw/zinc/68/53/04/496685304.db2.gz RDIKAWWXRGUYSO-ZIFCJYIRSA-N 2 0 364.530 3.491 20 0 FGADRP C[N@H+](Cc1ccccc1CNC(=O)c1coc(C[NH3+])c1)C1CCCCC1 ZINC000188117615 496690179 /nfs/dbraw/zinc/69/01/79/496690179.db2.gz MSZCWLATCVUDAC-UHFFFAOYSA-N 2 0 355.482 3.433 20 0 FGADRP Cc1ccc2c(c1)OCCC[C@H]2[NH2+]Cc1cccnc1N1CC[NH+](C)CC1 ZINC000158452075 496704781 /nfs/dbraw/zinc/70/47/81/496704781.db2.gz OMYPZVPLFBPIMT-HXUWFJFHSA-N 2 0 366.509 3.145 20 0 FGADRP O=C(CC1CC[NH2+]CC1)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000167844835 496705775 /nfs/dbraw/zinc/70/57/75/496705775.db2.gz RPDJOQBAGRHDLU-UHFFFAOYSA-N 2 0 363.933 3.058 20 0 FGADRP CCO[C@@H]1C[C@H]([NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H]2CO)C12CCC2 ZINC000182225890 496713755 /nfs/dbraw/zinc/71/37/55/496713755.db2.gz BYJSDVYKYWOMKV-QHAWAJNXSA-N 2 0 358.526 3.081 20 0 FGADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)N(CCC[NH+](C)C)Cc1ccc(Cl)c(Cl)c1 ZINC000571996582 505865901 /nfs/dbraw/zinc/86/59/01/505865901.db2.gz NDYBMCVGHRWLML-DZGCQCFKSA-N 2 0 372.340 3.272 20 0 FGADRP C[C@@H]1C[NH+](CC2CC[NH+](CCCOCc3ccccc3)CC2)C[C@@H](C)O1 ZINC000182315421 496729422 /nfs/dbraw/zinc/72/94/22/496729422.db2.gz JMAGTROZTJCCEY-WOJBJXKFSA-N 2 0 360.542 3.415 20 0 FGADRP C[C@H]1Cc2ccccc2N1CC[NH2+][C@@H]1CCN(Cc2ccccn2)C[C@H]1C ZINC000246954169 496734435 /nfs/dbraw/zinc/73/44/35/496734435.db2.gz INMSCRCQBPANDG-XQBPLPMBSA-N 2 0 364.537 3.333 20 0 FGADRP CC1CC[NH+](C[C@H]2CCCN(C(=O)c3ccc(C[NH+](C)C)cc3)C2)CC1 ZINC000263823318 496735222 /nfs/dbraw/zinc/73/52/22/496735222.db2.gz RFSVUVADPIHAJL-HXUWFJFHSA-N 2 0 357.542 3.332 20 0 FGADRP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCN(c3ccc(Br)cc3)C2)[C@@H](C)C1 ZINC000246979069 496741623 /nfs/dbraw/zinc/74/16/23/496741623.db2.gz JYCQLFGMHHVUJO-LESCRADOSA-N 2 0 366.347 3.348 20 0 FGADRP Cc1nccnc1[C@H](C)[NH2+]CCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000188303097 496747173 /nfs/dbraw/zinc/74/71/73/496747173.db2.gz RMHQLWSWKKKGQC-KRWDZBQOSA-N 2 0 354.498 3.153 20 0 FGADRP CC(C)[NH+]1CCN(CCC[N@@H+](Cc2cccs2)C[C@@H]2CCCO2)CC1 ZINC000191410887 496754541 /nfs/dbraw/zinc/75/45/41/496754541.db2.gz WWIGMSMEZXZPCB-IBGZPJMESA-N 2 0 365.587 3.145 20 0 FGADRP O[C@H](COc1ccc(Cl)cc1)C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000247061284 496766507 /nfs/dbraw/zinc/76/65/07/496766507.db2.gz ZTLADUYNOBCCCD-BPAFIMBUSA-N 2 0 364.917 3.028 20 0 FGADRP CC[S@](=O)[C@@H]1CCC[C@@H]([NH2+][C@@H](C)c2ccc(OCC[NH+](C)C)cc2)C1 ZINC000247100514 496778838 /nfs/dbraw/zinc/77/88/38/496778838.db2.gz OOPWEFKEQGJZKG-ZASNGOMBSA-N 2 0 366.571 3.357 20 0 FGADRP CCN(C[C@H]1CCC[N@@H+]1CC)C(=O)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000569158703 505865696 /nfs/dbraw/zinc/86/56/96/505865696.db2.gz VQWNXHJBBMGHMC-HXUWFJFHSA-N 2 0 352.482 3.194 20 0 FGADRP C[C@@H]([NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1ccc(-n2ccnc2)cc1 ZINC000247145129 496791488 /nfs/dbraw/zinc/79/14/88/496791488.db2.gz WLXHGXISGTYKTE-GUDVDZBRSA-N 2 0 356.514 3.412 20 0 FGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@@H]2CCSc3ccc(OC)cc32)CC1 ZINC000191510105 496791476 /nfs/dbraw/zinc/79/14/76/496791476.db2.gz VCFAFKQGLMADCE-QFBILLFUSA-N 2 0 363.571 3.095 20 0 FGADRP C[C@H](Cn1cc(Br)cn1)[NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000247177270 496799191 /nfs/dbraw/zinc/79/91/91/496799191.db2.gz UYOADKHDJJBDAD-HUUCEWRRSA-N 2 0 357.340 3.136 20 0 FGADRP C[C@H]1C[C@@H](NCC2([NH+]3CCCC3)CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC000268921534 496823940 /nfs/dbraw/zinc/82/39/40/496823940.db2.gz WVLSDFYGZLUFIK-UNMCSNQZSA-N 2 0 371.569 3.274 20 0 FGADRP C[C@@H]1C[C@H](NCC2([NH+]3CCCC3)CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC000268921531 496824028 /nfs/dbraw/zinc/82/40/28/496824028.db2.gz WVLSDFYGZLUFIK-IFMALSPDSA-N 2 0 371.569 3.274 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(Cl)cc1 ZINC000195118539 496825864 /nfs/dbraw/zinc/82/58/64/496825864.db2.gz OBSUBPBTDNNBMO-QGZVFWFLSA-N 2 0 352.910 3.220 20 0 FGADRP CC[N@H+](Cc1ccc(C(=O)N2CCC[C@@H]3C[NH+](C)CC[C@H]32)cc1)C(C)C ZINC000247300945 496829111 /nfs/dbraw/zinc/82/91/11/496829111.db2.gz OXZBWTGZCFYCAE-NHCUHLMSSA-N 2 0 357.542 3.473 20 0 FGADRP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000247310477 496832034 /nfs/dbraw/zinc/83/20/34/496832034.db2.gz HCOZWWHFXSNNHL-YRPNKDGESA-N 2 0 364.578 3.013 20 0 FGADRP C[C@H](OC[C@H](O)C[N@H+](C)[C@@H]1CCN(C)[C@@H](C)C1)c1ccc(Cl)cc1 ZINC000247335758 496838298 /nfs/dbraw/zinc/83/82/98/496838298.db2.gz NELHAWVUPSXVPB-ILRDRHFLSA-N 2 0 354.922 3.193 20 0 FGADRP CC[NH+](CC)[C@H](C)CNC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000247398513 496850426 /nfs/dbraw/zinc/85/04/26/496850426.db2.gz RDALGCVXFLAXPH-ZVDOUQERSA-N 2 0 374.573 3.411 20 0 FGADRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)C1 ZINC000247444914 496859607 /nfs/dbraw/zinc/85/96/07/496859607.db2.gz YGJNTMLRFJEZOM-RTBURBONSA-N 2 0 364.578 3.157 20 0 FGADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H](C)c1ccc(OCc2nccn2C)cc1 ZINC000269060784 496861924 /nfs/dbraw/zinc/86/19/24/496861924.db2.gz KBYDXFJOGDKYCH-YLJYHZDGSA-N 2 0 374.529 3.007 20 0 FGADRP Brc1ccc(C[NH2+]C2CCN(Cc3ccncc3)CC2)o1 ZINC000188729927 496889489 /nfs/dbraw/zinc/88/94/89/496889489.db2.gz QWOGNNQCTCAWCJ-UHFFFAOYSA-N 2 0 350.260 3.191 20 0 FGADRP CC[NH+](CC)CCC[C@H](C)NC(=O)c1ccc2c(ccn2CCC[NH3+])c1 ZINC000269244660 496903830 /nfs/dbraw/zinc/90/38/30/496903830.db2.gz OTWJBZIKPHLAHW-KRWDZBQOSA-N 2 0 358.530 3.230 20 0 FGADRP COc1cc(OC)c([C@@H](C)[NH2+]C[C@H]2CN(CC(C)C)CCO2)cc1Cl ZINC000247966860 496934849 /nfs/dbraw/zinc/93/48/49/496934849.db2.gz IBPDPWPQDONGPR-CABCVRRESA-N 2 0 370.921 3.365 20 0 FGADRP CCO[C@@H]1C[C@](CO)([NH2+]C2CC[NH+]([C@@H]3CCC[C@H](C)C3)CC2)C1(C)C ZINC000188903580 496942510 /nfs/dbraw/zinc/94/25/10/496942510.db2.gz ITOSWVYHMBIQKQ-HKJQZYRSSA-N 2 0 352.563 3.185 20 0 FGADRP CCc1ccc([C@H](CNC(=O)NC[C@H](C)C[NH+]2CCCCC2)[NH+](C)C)cc1 ZINC000195551836 496949914 /nfs/dbraw/zinc/94/99/14/496949914.db2.gz CCDJEUQRKKAFNH-RXVVDRJESA-N 2 0 374.573 3.273 20 0 FGADRP O=C1c2ccccc2C(=O)N1C1CCC([NH2+]CCC[NH+]2CCCCC2)CC1 ZINC000189007939 496976490 /nfs/dbraw/zinc/97/64/90/496976490.db2.gz JEMCNICVDKXOHI-UHFFFAOYSA-N 2 0 369.509 3.059 20 0 FGADRP C[C@@H]1CC[N@H+](CCOc2ccc(NC(=O)c3ccc(C[NH3+])cc3)cc2)C1 ZINC000273975992 496978536 /nfs/dbraw/zinc/97/85/36/496978536.db2.gz SVBNRBFZVLQOMS-MRXNPFEDSA-N 2 0 353.466 3.118 20 0 FGADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N[C@@H](C)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000248397842 496994667 /nfs/dbraw/zinc/99/46/67/496994667.db2.gz IGLTUUGPVUMWHE-GBESFXJTSA-N 2 0 364.578 3.203 20 0 FGADRP C[C@H]1C[NH+](CCCC[NH2+]Cc2cnn(Cc3ccc(F)cc3)c2)C[C@H](C)O1 ZINC000189093405 497005695 /nfs/dbraw/zinc/00/56/95/497005695.db2.gz SBAUAQQWDCCCKT-ROUUACIJSA-N 2 0 374.504 3.050 20 0 FGADRP C[NH+](C)Cc1ccc(-c2ccccc2C[NH2+]C2CCN(C=O)CC2)cc1 ZINC000278225039 497042707 /nfs/dbraw/zinc/04/27/07/497042707.db2.gz JNVWPAWUSQQWBW-UHFFFAOYSA-N 2 0 351.494 3.126 20 0 FGADRP C[NH+]1CCC([C@H]2CCN(C(=O)c3ccc(C[NH+]4CCCC4)cc3)C2)CC1 ZINC000270042401 497046156 /nfs/dbraw/zinc/04/61/56/497046156.db2.gz ATAMBLYGQJCSHB-NRFANRHFSA-N 2 0 355.526 3.086 20 0 FGADRP [NH3+][C@H](CCC(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1)c1ccccc1 ZINC000574911533 505881728 /nfs/dbraw/zinc/88/17/28/505881728.db2.gz HRVGNWPIGIMVTR-BHDDXSALSA-N 2 0 363.505 3.200 20 0 FGADRP Cc1nc(F)ccc1C[NH2+]Cc1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000278278790 497060813 /nfs/dbraw/zinc/06/08/13/497060813.db2.gz AUBWMQQPFZQEJK-HOTGVXAUSA-N 2 0 357.473 3.428 20 0 FGADRP COc1ccc2c(c1)[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)CCS2 ZINC000248854384 497118609 /nfs/dbraw/zinc/11/86/09/497118609.db2.gz QSNQUGOGMFBSNV-YJBOKZPZSA-N 2 0 350.528 3.059 20 0 FGADRP CC1CC[NH+]([C@@H](CNC(=O)c2ccc(C[NH3+])cc2)c2ccccc2)CC1 ZINC000236653820 497127261 /nfs/dbraw/zinc/12/72/61/497127261.db2.gz ZTCQDYBXMWGCLH-NRFANRHFSA-N 2 0 351.494 3.348 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)C[C@@H]([NH3+])c1ccccc1)c1cccc(OC)c1 ZINC000236823813 497152817 /nfs/dbraw/zinc/15/28/17/497152817.db2.gz ODWBINBIQAQRFC-RTWAWAEBSA-N 2 0 369.509 3.284 20 0 FGADRP C[C@@H]1CN(CCC[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C[C@@H](C)O1 ZINC000249044947 497153093 /nfs/dbraw/zinc/15/30/93/497153093.db2.gz VSGAQPBJBAJZIP-WMAOBNEYSA-N 2 0 371.569 3.271 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H]2CCc3c(cccc3OC)C2)[C@H](C)C1 ZINC000249059422 497156940 /nfs/dbraw/zinc/15/69/40/497156940.db2.gz PAKILKUYEVJOKF-LMNJBCLMSA-N 2 0 360.542 3.279 20 0 FGADRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]C[C@H](O)Cc1ccccc1 ZINC000249281776 497186258 /nfs/dbraw/zinc/18/62/58/497186258.db2.gz KZKULHUHFXWAGW-VNHKHXMHSA-N 2 0 352.522 3.336 20 0 FGADRP C[C@H]([NH2+]Cc1cccnc1-n1cccn1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274889943 497191613 /nfs/dbraw/zinc/19/16/13/497191613.db2.gz JFQCWHRHYAOOIH-GHTZIAJQSA-N 2 0 361.493 3.268 20 0 FGADRP C[N@H+](Cc1ccccc1CNC(=O)[C@@]1(C)CCC[NH2+]C1)C1CCCCC1 ZINC000237152426 497197866 /nfs/dbraw/zinc/19/78/66/497197866.db2.gz AZCZKTXEUUWMFX-QFIPXVFZSA-N 2 0 357.542 3.457 20 0 FGADRP CC(C)(C)c1ccc([C@@H]2CCCN2C(=O)CN2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000581011794 505890634 /nfs/dbraw/zinc/89/06/34/505890634.db2.gz KCHWZBSONUSMBI-SBHAEUEKSA-N 2 0 369.553 3.189 20 0 FGADRP C[NH2+]CCCC(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000237178026 497200569 /nfs/dbraw/zinc/20/05/69/497200569.db2.gz WYENJKFOSKOQHC-CRAIPNDOSA-N 2 0 371.447 3.204 20 0 FGADRP CCc1nc2c(s1)[C@@H]([N@H+](C)CCCN1CC[NH+](C(C)C)CC1)CCC2 ZINC000192773509 497210896 /nfs/dbraw/zinc/21/08/96/497210896.db2.gz LCBKMXQDXWZPSA-SFHVURJKSA-N 2 0 364.603 3.431 20 0 FGADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CC[C@@H](Oc3cccc(Cl)c3)C2)CC1 ZINC000192779255 497212049 /nfs/dbraw/zinc/21/20/49/497212049.db2.gz BFUCTRHHNCGDSO-HXUWFJFHSA-N 2 0 365.949 3.209 20 0 FGADRP CC(C)[NH+]1CCN(CCC[NH2+][C@@H](C)c2cccc(OC(F)F)c2)CC1 ZINC000192786333 497214272 /nfs/dbraw/zinc/21/42/72/497214272.db2.gz BZGFBDPDEUAGCI-INIZCTEOSA-N 2 0 355.473 3.355 20 0 FGADRP CN(C(=O)C[C@@H]([NH3+])c1ccccc1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000237292063 497216065 /nfs/dbraw/zinc/21/60/65/497216065.db2.gz LWCJBEPKTDCGGA-LEWJYISDSA-N 2 0 351.494 3.200 20 0 FGADRP Cc1ccccc1C[NH+]1CCC(NC(=O)C[C@H](C)C2CC[NH2+]CC2)CC1 ZINC000237400700 497230943 /nfs/dbraw/zinc/23/09/43/497230943.db2.gz HSQJXUNTFFYPGV-SFHVURJKSA-N 2 0 357.542 3.101 20 0 FGADRP C[C@H](C(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1)[C@@H]([NH3+])c1ccccc1 ZINC000237412595 497232840 /nfs/dbraw/zinc/23/28/40/497232840.db2.gz ZQISNWRFYKZXBV-IRFCIJBXSA-N 2 0 357.542 3.437 20 0 FGADRP C[C@H](C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)[C@@H]([NH3+])c1ccccc1 ZINC000237443972 497237487 /nfs/dbraw/zinc/23/74/87/497237487.db2.gz MVHPSMMACCUKDU-ABSDTBQOSA-N 2 0 371.550 3.412 20 0 FGADRP Cc1ccc(NC(=O)[C@@H](C)[C@@H]([NH3+])c2ccccc2)c(OCC[NH+](C)C)c1 ZINC000237468937 497241253 /nfs/dbraw/zinc/24/12/53/497241253.db2.gz GMTXIJLOBSLNIJ-OXJNMPFZSA-N 2 0 355.482 3.210 20 0 FGADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)[C@@H]([NH3+])Cc2ccccc2)cc1 ZINC000237524359 497250188 /nfs/dbraw/zinc/25/01/88/497250188.db2.gz LQFJOUKNDVQILU-AVRDEDQJSA-N 2 0 365.521 3.247 20 0 FGADRP C[C@H]1CCN(C(=O)C[C@H]([NH3+])c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000237548948 497254641 /nfs/dbraw/zinc/25/46/41/497254641.db2.gz CZAVHICKYMDICK-RXVVDRJESA-N 2 0 351.494 3.200 20 0 FGADRP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)CCC1CC[NH2+]CC1 ZINC000237683339 497275016 /nfs/dbraw/zinc/27/50/16/497275016.db2.gz UBIRJIAMXPDKOT-ROUUACIJSA-N 2 0 357.542 3.039 20 0 FGADRP [NH3+][C@@H](CC(=O)NCC1CC[NH+](Cc2cccs2)CC1)c1ccccc1 ZINC000237883264 497306970 /nfs/dbraw/zinc/30/69/70/497306970.db2.gz VPOIAWJAXYPEPG-IBGZPJMESA-N 2 0 357.523 3.166 20 0 FGADRP CC[NH+]1CCN(Cc2ccc(C[NH2+][C@@H](C)c3cnccc3C)cc2)CC1 ZINC000271406486 497339851 /nfs/dbraw/zinc/33/98/51/497339851.db2.gz MKYSRCWXMZLWLU-IBGZPJMESA-N 2 0 352.526 3.378 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1cccc2ccn(C)c21 ZINC000190066831 497344477 /nfs/dbraw/zinc/34/44/77/497344477.db2.gz PHDYWRCWZTWVPV-SFHVURJKSA-N 2 0 371.529 3.058 20 0 FGADRP CC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)c1ccc(OC)c(OC)c1 ZINC000271551747 497380790 /nfs/dbraw/zinc/38/07/90/497380790.db2.gz VAJVLGIUQDUMRE-OTWHNJEPSA-N 2 0 362.514 3.122 20 0 FGADRP CC[N@@H+]1CC[C@@H](N(C)CC(=O)Nc2ccc(Br)cc2)[C@@H](C)C1 ZINC000245415852 497394869 /nfs/dbraw/zinc/39/48/69/497394869.db2.gz DQEBFRZCNWOBMI-XJKSGUPXSA-N 2 0 368.319 3.050 20 0 FGADRP C[C@@H]1C[C@H]1c1ccc(C[NH+]2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)o1 ZINC000572167054 505905635 /nfs/dbraw/zinc/90/56/35/505905635.db2.gz OLVJPDGOBNVKFA-YLJYHZDGSA-N 2 0 373.541 3.217 20 0 FGADRP CC(C)[C@H](CNC(=O)C[N@@H+]1CC[C@@H](C)[C@H](n2ccnc2)C1)c1ccccc1 ZINC000245579416 497464243 /nfs/dbraw/zinc/46/42/43/497464243.db2.gz IKAAKSAMMZGFKU-HLAWJBBLSA-N 2 0 368.525 3.322 20 0 FGADRP C[C@H](NC(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+])[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261966812 497484070 /nfs/dbraw/zinc/48/40/70/497484070.db2.gz AXQUUYUONHIPPG-IHPPGPIUSA-N 2 0 369.553 3.167 20 0 FGADRP CC[C@@H](NC(=O)C[NH+]1CCC(CC[NH2+]C)CC1)c1ccc(Cl)cc1 ZINC000261991448 497489144 /nfs/dbraw/zinc/48/91/44/497489144.db2.gz MAURWFMMWHETAM-GOSISDBHSA-N 2 0 351.922 3.229 20 0 FGADRP C[NH2+]CCC1CC[NH+]([C@H]2CCN(c3ccc(C(F)(F)F)cc3)C2=O)CC1 ZINC000261997334 497489752 /nfs/dbraw/zinc/48/97/52/497489752.db2.gz OHKCNXDJTARWMP-KRWDZBQOSA-N 2 0 369.431 3.132 20 0 FGADRP CC[N@H+](CC(=O)NC[C@H]1CC[NH+](C)[C@H]1c1ccc(Cl)c(F)c1)C1CC1 ZINC000245703052 497508120 /nfs/dbraw/zinc/50/81/20/497508120.db2.gz NRIYFJHUSYFXOT-KUHUBIRLSA-N 2 0 367.896 3.072 20 0 FGADRP Fc1ccc(C(C[N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)c2ccc(F)cc2)cc1 ZINC000262107107 497509080 /nfs/dbraw/zinc/50/90/80/497509080.db2.gz JSLMNELBKYRGKG-OAQYLSRUSA-N 2 0 371.475 3.076 20 0 FGADRP C[C@]1(c2ccccc2)CC[C@@H]([NH+]2CCC(c3nnc4n3CCNC4)CC2)C1 ZINC000569340228 505911873 /nfs/dbraw/zinc/91/18/73/505911873.db2.gz COXGNGLKBBMFNL-KNQAVFIVSA-N 2 0 365.525 3.071 20 0 FGADRP O=C(NCCC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C1CCC1 ZINC000245732116 497520115 /nfs/dbraw/zinc/52/01/15/497520115.db2.gz QHHRCKNQVITUSD-WKCHPHFGSA-N 2 0 355.526 3.078 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])C1 ZINC000262227724 497527077 /nfs/dbraw/zinc/52/70/77/497527077.db2.gz GLZKEMICYWIXOX-GDWNZNQCSA-N 2 0 361.574 3.253 20 0 FGADRP C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])C1 ZINC000262227726 497527191 /nfs/dbraw/zinc/52/71/91/497527191.db2.gz GLZKEMICYWIXOX-QKKORWCLSA-N 2 0 361.574 3.253 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@H](O)c2ccc(F)cc2Cl)[C@H](C)C1 ZINC000276279219 497535119 /nfs/dbraw/zinc/53/51/19/497535119.db2.gz UABAXDJNDMIXRY-CCKFTAQKSA-N 2 0 372.912 3.239 20 0 FGADRP CC[NH+](CC)CCOc1ccc(C[NH2+][C@H]2[C@H]3CCO[C@H]3C23CCC3)cc1 ZINC000193977614 497537955 /nfs/dbraw/zinc/53/79/55/497537955.db2.gz VTELDHLDMUPESM-QHAWAJNXSA-N 2 0 358.526 3.454 20 0 FGADRP CN(Cc1cccnc1)C[C@H]1CC[N@H+](CCCOCCc2ccccc2)C1 ZINC000279779780 497538355 /nfs/dbraw/zinc/53/83/55/497538355.db2.gz UHGBCYPCDSJJNV-HSZRJFAPSA-N 2 0 367.537 3.485 20 0 FGADRP CC1(C)CN(C(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000262340731 497542568 /nfs/dbraw/zinc/54/25/68/497542568.db2.gz SSVRWGANXJZCCP-WHSGIHJSSA-N 2 0 369.553 3.263 20 0 FGADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NCC[C@H](C)[NH+](C)Cc1ccccc1 ZINC000245860401 497552390 /nfs/dbraw/zinc/55/23/90/497552390.db2.gz BZYONADYDYPCTC-TYPHKJRUSA-N 2 0 372.557 3.165 20 0 FGADRP CCN(CCC[NH+]1CCCC1)C(=O)c1oc2ccccc2c1C[NH+](C)C ZINC000276374462 497558089 /nfs/dbraw/zinc/55/80/89/497558089.db2.gz CHPLQGCCZNARSL-UHFFFAOYSA-N 2 0 357.498 3.442 20 0 FGADRP OC1CC[NH+](Cc2ccccc2C[NH2+][C@H]2[C@H]3CCO[C@H]3C23CCCC3)CC1 ZINC000194069653 497563383 /nfs/dbraw/zinc/56/33/83/497563383.db2.gz NPUGBZSMXLSZNG-BHIFYINESA-N 2 0 370.537 3.081 20 0 FGADRP C[C@H]([NH2+]Cc1ccc(S(C)(=O)=O)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272206563 497563731 /nfs/dbraw/zinc/56/37/31/497563731.db2.gz PLQPETLNVDZCHW-PXNSSMCTSA-N 2 0 372.534 3.090 20 0 FGADRP CC[NH+](CC)CCOc1ccc(C(=O)Nc2ccc3c(c2)C[NH2+]C3)cc1 ZINC000578326065 505915232 /nfs/dbraw/zinc/91/52/32/505915232.db2.gz BMJYSACXUXAEHK-UHFFFAOYSA-N 2 0 353.466 3.263 20 0 FGADRP CCCC[NH+]1CCC(NC(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000194125369 497580742 /nfs/dbraw/zinc/58/07/42/497580742.db2.gz NONOHFIJNOFBBL-FQEVSTJZSA-N 2 0 372.557 3.072 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)[C@@H]([NH3+])c1ccc(C)cc1)c1cccc(OC)c1 ZINC000262607795 497582557 /nfs/dbraw/zinc/58/25/57/497582557.db2.gz BFSUXKQGCBVVDL-RTWAWAEBSA-N 2 0 369.509 3.203 20 0 FGADRP OC[C@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000194169273 497592359 /nfs/dbraw/zinc/59/23/59/497592359.db2.gz LBQGOBCCJWYXJT-GXRSIYKFSA-N 2 0 370.537 3.081 20 0 FGADRP CC(C)[NH+](CCCNC(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(C)C ZINC000194219307 497605334 /nfs/dbraw/zinc/60/53/34/497605334.db2.gz DFAXFPZPNXAMRZ-NRFANRHFSA-N 2 0 374.573 3.317 20 0 FGADRP CCC[C@@](C)([NH3+])C(=O)NCCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000262717001 497607801 /nfs/dbraw/zinc/60/78/01/497607801.db2.gz VWONZUIKWNTXGR-JOCHJYFZSA-N 2 0 359.558 3.355 20 0 FGADRP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)NCC[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000578334568 505917500 /nfs/dbraw/zinc/91/75/00/505917500.db2.gz IBQNWUSTRLDVJJ-QIJZPMMNSA-N 2 0 372.557 3.198 20 0 FGADRP C[C@H]([NH2+]C[C@H]1CN(c2ccccc2)CCO1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000578334210 505917636 /nfs/dbraw/zinc/91/76/36/505917636.db2.gz CZKOWRIZTIJJFT-IPJJNNNSSA-N 2 0 357.542 3.134 20 0 FGADRP COc1cccc2cc([C@@H](C)[NH2+]C[C@H](C(C)C)N3CC[NH+](C)CC3)oc21 ZINC000194261674 497616632 /nfs/dbraw/zinc/61/66/32/497616632.db2.gz LTVSCVYMEWXKLM-SJLPKXTDSA-N 2 0 359.514 3.364 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)c2ccc3c(c2)CC[NH2+]CC3)C1 ZINC000276728342 497637396 /nfs/dbraw/zinc/63/73/96/497637396.db2.gz YGCRMEGOEXLQDK-RTBURBONSA-N 2 0 369.553 3.101 20 0 FGADRP C[C@H]([NH2+]C(C)(C)CNC(=O)N(C)[C@@H]1CC[N@H+](C)C[C@@H]1C)c1ccccc1 ZINC000246274139 497679599 /nfs/dbraw/zinc/67/95/99/497679599.db2.gz JEVRMHAFOLPCCE-JENIJYKNSA-N 2 0 360.546 3.097 20 0 FGADRP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+][C@@H]1CCCOc2cc3c(cc21)CCC3 ZINC000246279283 497682751 /nfs/dbraw/zinc/68/27/51/497682751.db2.gz MLEPCRYKPGMEEO-PZJWPPBQSA-N 2 0 358.526 3.216 20 0 FGADRP O[C@@H]1CC[N@H+](Cc2ccccc2C[NH2+][C@@H]2CCc3c2c(F)ccc3F)C1 ZINC000272734444 497715770 /nfs/dbraw/zinc/71/57/70/497715770.db2.gz BATGVPYQWLZJAN-OXQOHEQNSA-N 2 0 358.432 3.309 20 0 FGADRP COc1ccc2c(c1)[C@H](NC1CC[NH+]([C@@H]3CCCC[C@H]3O)CC1)CCCO2 ZINC000246390824 497718504 /nfs/dbraw/zinc/71/85/04/497718504.db2.gz KWDMUCOTORHKKL-NJDAHSKKSA-N 2 0 374.525 3.266 20 0 FGADRP CCOc1ccccc1NC(=O)CCN1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246429980 497732167 /nfs/dbraw/zinc/73/21/67/497732167.db2.gz CNVBOAPGLDNYMH-PXNSSMCTSA-N 2 0 371.525 3.363 20 0 FGADRP C[C@H](C[NH+]1CCCCC1)NC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000246442761 497736252 /nfs/dbraw/zinc/73/62/52/497736252.db2.gz IACXPCXCHFMIQT-SVFBPWRDSA-N 2 0 372.557 3.213 20 0 FGADRP C[C@]1([NH3+])CCCC[C@H]1C(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000263222648 497736714 /nfs/dbraw/zinc/73/67/14/497736714.db2.gz MEYQEOQFZBWGRG-ICSRJNTNSA-N 2 0 363.933 3.328 20 0 FGADRP C[C@@H]([NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1)c1cn2ccccc2n1 ZINC000578378865 505926490 /nfs/dbraw/zinc/92/64/90/505926490.db2.gz RKNIKGXTSYFHTB-GOSISDBHSA-N 2 0 364.493 3.012 20 0 FGADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@H](c1cccc(Cl)c1)N1CCOCC1 ZINC000246468994 497745224 /nfs/dbraw/zinc/74/52/24/497745224.db2.gz QJVKHPSZVVVPBG-XNFNUYLZSA-N 2 0 365.949 3.032 20 0 FGADRP Cc1ccccc1CN(C)C(=O)[C@H](C)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246481277 497748624 /nfs/dbraw/zinc/74/86/24/497748624.db2.gz GOSHYJHOUWUQSH-VCOUNFBDSA-N 2 0 369.553 3.291 20 0 FGADRP CCN(C(=O)[C@H](C)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)c1ccccc1 ZINC000246570758 497778173 /nfs/dbraw/zinc/77/81/73/497778173.db2.gz LJCDORISMIFISR-BBTUJRGHSA-N 2 0 355.526 3.377 20 0 FGADRP CC[N@@H+]1CC[C@H](CNC(=O)c2cccc(C[NH+](C)Cc3ccccc3)c2)C1 ZINC000194812405 497779229 /nfs/dbraw/zinc/77/92/29/497779229.db2.gz FWDPTUIWMHQXMW-OAQYLSRUSA-N 2 0 365.521 3.390 20 0 FGADRP C(CC[NH+]1CC[C@@H]2OCCC[C@@H]2C1)CC[N@@H+]1CC[C@H]2OCCC[C@H]2C1 ZINC000246642184 497793434 /nfs/dbraw/zinc/79/34/34/497793434.db2.gz KWEAVQBQIPMYGR-UJOPUZHASA-N 2 0 350.547 3.159 20 0 FGADRP C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2[NH2+]CCc3ccccc32)[C@H]1c1cccs1 ZINC000246729257 497805210 /nfs/dbraw/zinc/80/52/10/497805210.db2.gz YDVQGKHRZROMCK-AHRSYUTCSA-N 2 0 369.534 3.134 20 0 FGADRP CC[NH+](CC)Cc1ccccc1CNC(=O)N(C)[C@H]1CC[N@H+](C)C[C@H]1C ZINC000246734956 497805852 /nfs/dbraw/zinc/80/58/52/497805852.db2.gz XXZUXGYRIKVWFV-XLIONFOSSA-N 2 0 360.546 3.010 20 0 FGADRP COc1cc(C)c([C@H](C)[NH2+]Cc2ccnc(N3CC[NH+](C)CC3)c2)cc1C ZINC000273167323 497805964 /nfs/dbraw/zinc/80/59/64/497805964.db2.gz LSDHVFRVVWKQFW-SFHVURJKSA-N 2 0 368.525 3.310 20 0 FGADRP Cc1ccc(NC(=O)CN(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c(Br)c1 ZINC000246747663 497807668 /nfs/dbraw/zinc/80/76/68/497807668.db2.gz NBHAVKTXEXBRHH-KBPBESRZSA-N 2 0 368.319 3.111 20 0 FGADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000246857328 497816957 /nfs/dbraw/zinc/81/69/57/497816957.db2.gz CKWVEEOBLHHPPQ-WOJBJXKFSA-N 2 0 360.546 3.199 20 0 FGADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)CC(=O)Nc2ccc(OC(F)(F)F)cc2)C1 ZINC000246896297 497819126 /nfs/dbraw/zinc/81/91/26/497819126.db2.gz FQSAUKYRORGUPS-KGLIPLIRSA-N 2 0 373.419 3.234 20 0 FGADRP O=C1[C@H](N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)CCCN1c1cccc(F)c1 ZINC000246937724 497821121 /nfs/dbraw/zinc/82/11/21/497821121.db2.gz UBFAQKSCZADJRS-ORYQWCPZSA-N 2 0 371.500 3.270 20 0 FGADRP CSC1(C[NH2+][C@H](Cc2ccccn2)c2cccnc2)CC[NH+](C)CC1 ZINC000578405045 505931511 /nfs/dbraw/zinc/93/15/11/505931511.db2.gz MTTRFMNJYGQGOC-LJQANCHMSA-N 2 0 356.539 3.177 20 0 FGADRP C[NH+](C)CCOc1cnccc1C[NH2+][C@H](C[C@H]1CCOC1)c1ccccc1 ZINC000572319056 505940375 /nfs/dbraw/zinc/94/03/75/505940375.db2.gz FIBSWLMDMZUJFK-WIYYLYMNSA-N 2 0 369.509 3.280 20 0 FGADRP [NH3+]CC[C@H]1CCCC[N@@H+]1CCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000578443429 505941302 /nfs/dbraw/zinc/94/13/02/505941302.db2.gz UIXBPAAZOGEYMC-OAQYLSRUSA-N 2 0 365.521 3.486 20 0 FGADRP [NH3+]C[C@H](NC(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1)c1ccc2ccccc2c1 ZINC000581240535 505941319 /nfs/dbraw/zinc/94/13/19/505941319.db2.gz JEZNUJRFOJJWNB-CTNGQTDRSA-N 2 0 366.509 3.156 20 0 FGADRP c1cncc([C@H]([NH2+]CCCN2CCN(c3cc[nH+]cc3)CC2)C2CCC2)c1 ZINC000280752719 497883804 /nfs/dbraw/zinc/88/38/04/497883804.db2.gz DVWNAJRPERZKAM-JOCHJYFZSA-N 2 0 365.525 3.120 20 0 FGADRP C[C@H]1C[C@H]([NH2+]CCCC[NH+]2CCN(Cc3ccccc3)CC2)c2nccn21 ZINC000296078199 497913271 /nfs/dbraw/zinc/91/32/71/497913271.db2.gz SLICKGRLZPGGBX-FPOVZHCZSA-N 2 0 367.541 3.077 20 0 FGADRP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(OCc2nccn2C)cc1 ZINC000364449203 497963104 /nfs/dbraw/zinc/96/31/04/497963104.db2.gz RUJDDUVUXPVJKF-YTQUADARSA-N 2 0 354.498 3.277 20 0 FGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](c1ccc(OC(C)C)cc1)[NH+](C)C ZINC000581329764 505962489 /nfs/dbraw/zinc/96/24/89/505962489.db2.gz FBNBBAWCXSAUSD-PMACEKPBSA-N 2 0 361.530 3.067 20 0 FGADRP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)NC[C@@H]2[NH2+]CCCC2(C)C)CC1 ZINC000569558644 505963813 /nfs/dbraw/zinc/96/38/13/505963813.db2.gz BSJCDBMOGJEWPS-PXNSSMCTSA-N 2 0 372.557 3.289 20 0 FGADRP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)NC[C@H]2[NH2+]CCCC2(C)C)CC1 ZINC000569558646 505964192 /nfs/dbraw/zinc/96/41/92/505964192.db2.gz BSJCDBMOGJEWPS-YLJYHZDGSA-N 2 0 372.557 3.289 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)NC[C@H]1CCC[C@@H]([NH3+])C1 ZINC000575351901 505966916 /nfs/dbraw/zinc/96/69/16/505966916.db2.gz JWAARCRRCJKAIS-LVCYWYKZSA-N 2 0 372.557 3.378 20 0 FGADRP C[C@@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]Cc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000581364229 505971766 /nfs/dbraw/zinc/97/17/66/505971766.db2.gz LFJRCOWHXKERLD-PEWUMXJESA-N 2 0 359.558 3.006 20 0 FGADRP COc1cc(C[N@@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)ccc1OC(=O)C1CC1 ZINC000289242798 498075245 /nfs/dbraw/zinc/07/52/45/498075245.db2.gz AASMCPZXDMPLLM-LJQANCHMSA-N 2 0 372.509 3.174 20 0 FGADRP COc1ccc([C@H](C[NH2+]CCCc2cnccc2C)N(C)C)cc1OC ZINC000289309770 498099461 /nfs/dbraw/zinc/09/94/61/498099461.db2.gz RWPJZUSBSKFPEH-IBGZPJMESA-N 2 0 357.498 3.232 20 0 FGADRP Cc1ccccc1[C@@H]([C@@H](C)NC(=O)Nc1cccc2c1CC[NH2+]C2)[NH+](C)C ZINC000572494727 505982571 /nfs/dbraw/zinc/98/25/71/505982571.db2.gz LAXOCYIOZXGKPR-IIBYNOLFSA-N 2 0 366.509 3.454 20 0 FGADRP COC[C@@]1(C)CC[NH+](Cc2ccc(C[N@H+]3CC[C@](C)(COC)C3)cc2)C1 ZINC000296650347 498137941 /nfs/dbraw/zinc/13/79/41/498137941.db2.gz IYGKOGINIGXWII-VXKWHMMOSA-N 2 0 360.542 3.403 20 0 FGADRP COCCOCc1ccc(C[NH2+]Cc2cccc(OCC[NH+](C)C)c2)cc1 ZINC000289535973 498184715 /nfs/dbraw/zinc/18/47/15/498184715.db2.gz CEOFBYLRQNBHSZ-UHFFFAOYSA-N 2 0 372.509 3.080 20 0 FGADRP CC[NH+]1CCC(C[NH2+]C[C@H](O)Cn2c3ccccc3c3ccccc32)CC1 ZINC000581484107 505998858 /nfs/dbraw/zinc/99/88/58/505998858.db2.gz UADQVDPSXXQCIX-IBGZPJMESA-N 2 0 365.521 3.477 20 0 FGADRP CCN(CCC[NH+](C)C)C(=O)NC1CC[NH+](C2CCC(C)CC2)CC1 ZINC000364951991 498225135 /nfs/dbraw/zinc/22/51/35/498225135.db2.gz AFLCCTRSJXJUBU-UHFFFAOYSA-N 2 0 352.567 3.013 20 0 FGADRP C[C@@H]1C[C@@H]([NH2+]CCc2ccc(OCC[NH+]3CCCC3)cc2)c2nccn21 ZINC000296883396 498236259 /nfs/dbraw/zinc/23/62/59/498236259.db2.gz OHQGNPFXXSLRPZ-YLJYHZDGSA-N 2 0 354.498 3.196 20 0 FGADRP CCn1nccc1C1CC[NH+](Cc2cn(-c3cc[nH+]cc3)nc2C)CC1 ZINC000581526393 506008207 /nfs/dbraw/zinc/00/82/07/506008207.db2.gz KNKVKYHCZDXNBA-UHFFFAOYSA-N 2 0 350.470 3.172 20 0 FGADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CC[C@@H](Oc3ccc(Cl)cc3)C2)CC1 ZINC000293165271 498291551 /nfs/dbraw/zinc/29/15/51/498291551.db2.gz VDFCIGAHKDQRNM-HXUWFJFHSA-N 2 0 365.949 3.209 20 0 FGADRP COc1c(Br)cccc1C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000578769042 506016757 /nfs/dbraw/zinc/01/67/57/506016757.db2.gz JBJZKIXNBBEBDY-CQSZACIVSA-N 2 0 353.304 3.279 20 0 FGADRP Cc1cc([C@H](C)N[C@@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)nn1C ZINC000281974125 498340612 /nfs/dbraw/zinc/34/06/12/498340612.db2.gz BQFDFXIFFRLDBA-HOTGVXAUSA-N 2 0 359.493 3.031 20 0 FGADRP C[C@@H]([NH2+]Cc1ccccc1OCC[NH+](C)C)c1ccccc1-n1ccnn1 ZINC000286328562 498365183 /nfs/dbraw/zinc/36/51/83/498365183.db2.gz XVAKGVAGEYKJAZ-QGZVFWFLSA-N 2 0 365.481 3.059 20 0 FGADRP COc1ccc([C@H](C)[NH2+]Cc2cccc(CN3CCO[C@H](C)C3)c2)cc1O ZINC000289961995 498372042 /nfs/dbraw/zinc/37/20/42/498372042.db2.gz XBDHMLAWCHJNHI-SJORKVTESA-N 2 0 370.493 3.472 20 0 FGADRP C[C@@H](c1ccc(F)cc1)N1CC[C@H]([NH+]2CCC(CC[NH+](C)C)CC2)C1=O ZINC000293450867 498389091 /nfs/dbraw/zinc/38/90/91/498389091.db2.gz KOTKVCPYEGVEIZ-JXFKEZNVSA-N 2 0 361.505 3.151 20 0 FGADRP C[C@H]1CCCC[N@@H+]1CCC(=O)N(C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000575885422 506026106 /nfs/dbraw/zinc/02/61/06/506026106.db2.gz NRZDQFBKKIODQE-PZJWPPBQSA-N 2 0 357.542 3.231 20 0 FGADRP CC[NH+]1CCN(c2ccccc2NC2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000297289068 498392974 /nfs/dbraw/zinc/39/29/74/498392974.db2.gz APBWKOSGEQIVSG-UHFFFAOYSA-N 2 0 365.525 3.304 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)[C@]1(c2ccccc2)CC[NH2+]C1)c1ccsc1 ZINC000581605258 506026817 /nfs/dbraw/zinc/02/68/17/506026817.db2.gz UYWATYNECOZIAH-PZJWPPBQSA-N 2 0 371.550 3.179 20 0 FGADRP CC[NH+]1CCC(CNC(=O)NCC[NH+]2CCC3(CCCCC3)CC2)CC1 ZINC000578839917 506033105 /nfs/dbraw/zinc/03/31/05/506033105.db2.gz FLBAVYPPYVRKGA-UHFFFAOYSA-N 2 0 364.578 3.064 20 0 FGADRP C[NH+](C)[C@@H]1CCC[C@@H](Nc2cc(N[C@H]3CCC[C@@H]([NH+](C)C)C3)ncn2)C1 ZINC000302304609 498466696 /nfs/dbraw/zinc/46/66/96/498466696.db2.gz QZEWFDCYLIAWOK-XMTFNYHQSA-N 2 0 360.550 3.046 20 0 FGADRP CCC(C)(C)C1CCC(NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)CC1 ZINC000575961378 506042600 /nfs/dbraw/zinc/04/26/00/506042600.db2.gz YWKOSQCLQXZSRB-UHFFFAOYSA-N 2 0 354.583 3.116 20 0 FGADRP COc1ccc(C[NH+]2CCC(C[NH2+][C@H]3C[C@@H](C)n4ccnc43)CC2)cc1 ZINC000297657097 498526778 /nfs/dbraw/zinc/52/67/78/498526778.db2.gz KLVLOMZISILZQW-UZLBHIALSA-N 2 0 354.498 3.399 20 0 FGADRP C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N2CCC[C@H](CC[NH3+])C2)C1 ZINC000581715223 506051912 /nfs/dbraw/zinc/05/19/12/506051912.db2.gz HGYAHHYVCARXMW-RBUKOAKNSA-N 2 0 372.557 3.189 20 0 FGADRP Cn1cncc1CCC[N@@H+]1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000575999515 506052710 /nfs/dbraw/zinc/05/27/10/506052710.db2.gz ILMJSJFFATYUDV-MRXNPFEDSA-N 2 0 369.444 3.421 20 0 FGADRP C[C@@]1(C[NH2+]C2CCN(Cc3cccc(Br)c3)CC2)CC[NH2+]C1 ZINC000581726500 506054590 /nfs/dbraw/zinc/05/45/90/506054590.db2.gz PNPJVKVTBJNLQT-GOSISDBHSA-N 2 0 366.347 3.003 20 0 FGADRP OC[C@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+][C@H]1CCCC12CCOCC2 ZINC000282673165 498606309 /nfs/dbraw/zinc/60/63/09/498606309.db2.gz JFWXOFMRVFFVBS-RTWAWAEBSA-N 2 0 358.526 3.082 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)[C@H]1CCCCCC[C@@H]1[NH3+] ZINC000576043164 506062562 /nfs/dbraw/zinc/06/25/62/506062562.db2.gz DWTHYWGFKVJLFZ-HZEGPAAWSA-N 2 0 357.542 3.311 20 0 FGADRP C[C@H]1C[C@H](NC(=O)N2CCC(C[NH+](C)C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000363041677 498619242 /nfs/dbraw/zinc/61/92/42/498619242.db2.gz WXZDEXRNSPRJIU-GHTZIAJQSA-N 2 0 372.557 3.023 20 0 FGADRP CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(OC3CC[NH+](C)CC3)cc2)[C@@H]1SC ZINC000298040222 498645419 /nfs/dbraw/zinc/64/54/19/498645419.db2.gz HGNPLIZLFDMBAU-ZCNNSNEGSA-N 2 0 364.555 3.158 20 0 FGADRP Cc1nc2ccccc2n1C[C@@H]1CCC[N@@H+]1Cc1cnn(CC(F)F)c1 ZINC000294377669 498676191 /nfs/dbraw/zinc/67/61/91/498676191.db2.gz URRZWRSHVSORIL-INIZCTEOSA-N 2 0 359.424 3.471 20 0 FGADRP C[C@H](CNC(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1)[NH+](C)Cc1ccccc1 ZINC000303503197 498683588 /nfs/dbraw/zinc/68/35/88/498683588.db2.gz VJTWWJKDKCWUQV-HSALFYBXSA-N 2 0 374.573 3.174 20 0 FGADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000303505552 498683736 /nfs/dbraw/zinc/68/37/36/498683736.db2.gz AZOJUXMUPBCFNU-LEWJYISDSA-N 2 0 372.557 3.387 20 0 FGADRP COc1c(C)cc(C[NH2+]C[C@@H]2CCCN(C)[C@H]2c2cnn(C)c2)cc1C ZINC000363177847 498688680 /nfs/dbraw/zinc/68/86/80/498688680.db2.gz ZBDIOPILZORBNQ-AZUAARDMSA-N 2 0 356.514 3.218 20 0 FGADRP O=C(OCc1ccccc1)N1CCC([NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000303987675 498734037 /nfs/dbraw/zinc/73/40/37/498734037.db2.gz LYOSIEWEFOKDMI-UXHICEINSA-N 2 0 357.498 3.004 20 0 FGADRP c1ccc(C[N@H+]2CC[C@H](C[NH2+]C3CCN(c4ccccn4)CC3)C2)cc1 ZINC000311517485 498752766 /nfs/dbraw/zinc/75/27/66/498752766.db2.gz OTPXHHGHQZKQEE-HXUWFJFHSA-N 3 0 350.510 3.162 20 0 FGADRP Cc1ccc(OC[C@@H](O)C[NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c(C)c1 ZINC000312646352 498760018 /nfs/dbraw/zinc/76/00/18/498760018.db2.gz KELQXAPHWQXEOM-VXKWHMMOSA-N 2 0 368.521 3.155 20 0 FGADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H](C)c1ccc(N2CCCOC2=O)cc1 ZINC000294648644 498761450 /nfs/dbraw/zinc/76/14/50/498761450.db2.gz GQIRVWIHKZVQRL-VQIMIIECSA-N 2 0 363.502 3.041 20 0 FGADRP C[C@H](OC[C@H](O)C[NH2+]C[C@@H]1CCCn2ccnc21)c1ccc(Cl)cc1 ZINC000570082195 506086118 /nfs/dbraw/zinc/08/61/18/506086118.db2.gz UHXGBLIRVKXQFC-QILLFSRXSA-N 2 0 363.889 3.142 20 0 FGADRP CCC[N@H+](CC)C[C@@H](C)NC(=O)N(Cc1ccco1)C1CC[NH+](C)CC1 ZINC000291032200 498765155 /nfs/dbraw/zinc/76/51/55/498765155.db2.gz GYFCKHFYWLZYAT-QGZVFWFLSA-N 2 0 364.534 3.006 20 0 FGADRP COc1ccc(C[C@H](C)[NH2+]C2CCN(c3cc[nH+]cc3)CC2)cc1OC ZINC000298460554 498778646 /nfs/dbraw/zinc/77/86/46/498778646.db2.gz OFXXSSUKEWGAHV-INIZCTEOSA-N 2 0 355.482 3.288 20 0 FGADRP COc1cc(C[NH+]2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)ccc1OC(F)F ZINC000579087915 506091383 /nfs/dbraw/zinc/09/13/83/506091383.db2.gz GJWYZSICFPERMB-RDJZCZTQSA-N 2 0 370.440 3.015 20 0 FGADRP C[C@@H]1C[C@@H](NC(=O)[C@@H]2CCn3c(cnc3C3CCCCC3)C2)C[N@@H+]1C1CC1 ZINC000332827671 498806235 /nfs/dbraw/zinc/80/62/35/498806235.db2.gz LZVCWQWDFGYTSJ-KBAYOESNSA-N 2 0 370.541 3.235 20 0 FGADRP O=C(CC[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)Nc1cc(Cl)ccc1Cl ZINC000324023305 498823782 /nfs/dbraw/zinc/82/37/82/498823782.db2.gz QOZXPJGCVOEIGS-BETUJISGSA-N 2 0 356.297 3.253 20 0 FGADRP CC[NH+](CC)Cc1ccccc1CNC(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000366268789 498850680 /nfs/dbraw/zinc/85/06/80/498850680.db2.gz ZGNYFQFTRLYQJJ-UHFFFAOYSA-N 2 0 372.557 3.345 20 0 FGADRP C[C@@H]1C[C@H]([NH2+]C[C@H]2COc3ccccc3O2)CCN1Cc1ccccc1 ZINC000581963266 506101039 /nfs/dbraw/zinc/10/10/39/506101039.db2.gz SWKCLSYDQYAOQP-RLLQIKCJSA-N 2 0 352.478 3.469 20 0 FGADRP Cc1nc2ccccc2n1CCC[NH2+][C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@@H]1C ZINC000366285722 498858120 /nfs/dbraw/zinc/85/81/20/498858120.db2.gz PQESONPEDMKKRN-DFQSSKMNSA-N 2 0 370.541 3.214 20 0 FGADRP O=C(Nc1ccc2c(c1F)CC[NH2+]C2)c1ccccc1CC1CC[NH2+]CC1 ZINC000573074311 506112972 /nfs/dbraw/zinc/11/29/72/506112972.db2.gz QNECGHFAVQEPPR-UHFFFAOYSA-N 2 0 367.468 3.266 20 0 FGADRP COc1ccc(C[NH2+]CCC2CC[NH+](C3CCN(C)CC3)CC2)cc1F ZINC000363660610 498929701 /nfs/dbraw/zinc/92/97/01/498929701.db2.gz GFTALJGHKWTKQE-UHFFFAOYSA-N 2 0 363.521 3.120 20 0 FGADRP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)C[C@@H](c2ccccc2)C1 ZINC000333208012 498937079 /nfs/dbraw/zinc/93/70/79/498937079.db2.gz ZEGPWRLBJCYBQY-FCBYNPDFSA-N 2 0 369.553 3.195 20 0 FGADRP CCCN(CC[NH+]1CCCCCC1)C(=O)NC1CC[NH+](C(C)C)CC1 ZINC000582036270 506117952 /nfs/dbraw/zinc/11/79/52/506117952.db2.gz YPNSLJKJEBHZJH-UHFFFAOYSA-N 2 0 352.567 3.157 20 0 FGADRP COc1ccc2c(c1)[C@H]([NH2+]Cc1ccncc1OCC[NH+](C)C)CCC2 ZINC000576309372 506127446 /nfs/dbraw/zinc/12/74/46/506127446.db2.gz WRAQKEFBOIFSJH-HXUWFJFHSA-N 2 0 355.482 3.198 20 0 FGADRP CC(CC[NH2+][C@H](CO)c1ccccc1)CC[NH2+][C@H](CO)c1ccccc1 ZINC000299158846 498981870 /nfs/dbraw/zinc/98/18/70/498981870.db2.gz XKMHLBBZFUTWTK-FGZHOGPDSA-N 2 0 356.510 3.049 20 0 FGADRP Cc1cccc2c1[nH+]cc(C)c2N1CCC[C@@H](C[NH+]2CCN(C)CC2)C1 ZINC000363804637 499001708 /nfs/dbraw/zinc/00/17/08/499001708.db2.gz NLYFUDUQTLSVEC-IBGZPJMESA-N 2 0 352.526 3.315 20 0 FGADRP CC(C)[N@H+](C)Cc1cccc(CNC(=O)[C@@H]2C[NH2+]Cc3ccccc32)c1 ZINC000582064822 506125489 /nfs/dbraw/zinc/12/54/89/506125489.db2.gz RKWMDDWIEMIGLC-OAQYLSRUSA-N 2 0 351.494 3.030 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)N2CC[C@H]([NH3+])[C@@H](C)C2)C1 ZINC000333589277 499036995 /nfs/dbraw/zinc/03/69/95/499036995.db2.gz AWLMECZKYXZPAS-NYUBLWNDSA-N 2 0 372.557 3.043 20 0 FGADRP CN(C)c1cc[nH+]cc1C(=O)N1CCC[C@H]([N@H+](C)Cc2ccccc2)CC1 ZINC000363883247 499039294 /nfs/dbraw/zinc/03/92/94/499039294.db2.gz KHMYMDOVBQNQSG-IBGZPJMESA-N 2 0 366.509 3.274 20 0 FGADRP CSC1(C[NH+]2CCN([C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)CCC1 ZINC000291705751 499041791 /nfs/dbraw/zinc/04/17/91/499041791.db2.gz ZJBTUWXFXMKWTF-FQEVSTJZSA-N 2 0 359.583 3.164 20 0 FGADRP O=S1(=O)CC[C@H]([NH2+]CCCc2nc3ccccc3[nH]2)c2cccc(F)c21 ZINC000366737772 499055200 /nfs/dbraw/zinc/05/52/00/499055200.db2.gz QQWKRFAIQQKWIB-HNNXBMFYSA-N 2 0 373.453 3.143 20 0 FGADRP Cn1nccc1[C@H]1CCC[C@@H]([NH2+]Cc2cccc(OCC[NH+](C)C)c2)C1 ZINC000366736231 499055301 /nfs/dbraw/zinc/05/53/01/499055301.db2.gz FTXWCEFFCIDVIQ-RBUKOAKNSA-N 2 0 356.514 3.177 20 0 FGADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+][C@@H](CO)C[C@H](O)C(C)(C)C)CC1 ZINC000284353184 499093598 /nfs/dbraw/zinc/09/35/98/499093598.db2.gz YTCIDWGUUGEBCM-KOQKOIQBSA-N 2 0 362.558 3.177 20 0 FGADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+][C@@H](CO)C[C@@H](O)C(C)(C)C)CC1 ZINC000284353181 499094131 /nfs/dbraw/zinc/09/41/31/499094131.db2.gz YTCIDWGUUGEBCM-GOLJUSPKSA-N 2 0 362.558 3.177 20 0 FGADRP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1ccc2c[nH+]cn2c1 ZINC000284359292 499094539 /nfs/dbraw/zinc/09/45/39/499094539.db2.gz NOXKMKCXVSTRCW-IBGZPJMESA-N 2 0 362.477 3.319 20 0 FGADRP COc1ccc([C@H]2C[C@@H]2[C@@H](C)[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)cc1 ZINC000284406794 499102578 /nfs/dbraw/zinc/10/25/78/499102578.db2.gz QAKOQYBVSFBJJR-XWOARTFESA-N 2 0 358.526 3.278 20 0 FGADRP C[NH+]1CCC(CNC(=O)C2CC[NH+](Cc3ccc(Cl)s3)CC2)CC1 ZINC000364062543 499104836 /nfs/dbraw/zinc/10/48/36/499104836.db2.gz SSJYPAVFHJCYET-UHFFFAOYSA-N 2 0 369.962 3.072 20 0 FGADRP C[C@H]1CCCC[C@@H]1[NH+]1CCC(N[C@H]2CCCO[C@@H]2c2nccn2C)CC1 ZINC000372537283 499141993 /nfs/dbraw/zinc/14/19/93/499141993.db2.gz BMUIGPMCDVQTHT-LEAZDLGRSA-N 2 0 360.546 3.273 20 0 FGADRP C[C@@H]1C[C@H](N(C)C(=O)NC[C@@H]2CCC[NH+](Cc3ccccc3)C2)CC[N@@H+]1C ZINC000369872920 499142961 /nfs/dbraw/zinc/14/29/61/499142961.db2.gz QLJDZNUEYXFYTQ-HLAWJBBLSA-N 2 0 372.557 3.023 20 0 FGADRP CN1CCC([NH+]2CCC(CC[NH2+][C@@H]3CCCC34CCOCC4)CC2)CC1 ZINC000367091646 499147652 /nfs/dbraw/zinc/14/76/52/499147652.db2.gz ANDJREKBIHLPJE-OAQYLSRUSA-N 2 0 363.590 3.122 20 0 FGADRP O[C@H](C[NH2+]C1CC[NH+](C2CCCC2)CC1)c1cccc(Br)c1 ZINC000367248340 499168187 /nfs/dbraw/zinc/16/81/87/499168187.db2.gz ZZFLMHOGYPNGEZ-GOSISDBHSA-N 2 0 367.331 3.479 20 0 FGADRP CCN1CC[NH+](CCCC[NH2+]C2CC(c3cc(F)cc(F)c3)C2)CC1 ZINC000367295807 499175116 /nfs/dbraw/zinc/17/51/16/499175116.db2.gz TUXUNIMBSKJDCH-UHFFFAOYSA-N 2 0 351.485 3.218 20 0 FGADRP C[NH+]1CCC(N(Cc2ccco2)C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000370161831 499190652 /nfs/dbraw/zinc/19/06/52/499190652.db2.gz MHGXNRGRJWGNLU-SFHVURJKSA-N 2 0 373.541 3.357 20 0 FGADRP CN(Cc1noc(-c2ccsc2)n1)C1CCN(c2ccccn2)CC1 ZINC000370191693 499195777 /nfs/dbraw/zinc/19/57/77/499195777.db2.gz NFFPJCPECNOWHT-UHFFFAOYSA-N 2 0 355.467 3.294 20 0 FGADRP Cc1c(Cl)cccc1NC(=O)N1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000367523526 499208743 /nfs/dbraw/zinc/20/87/43/499208743.db2.gz COECKECJLOYPDE-CQSZACIVSA-N 2 0 364.921 3.281 20 0 FGADRP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(NC(=O)c3cccnc3)cc2)[C@H]2CCC[C@H]21 ZINC000367532559 499209829 /nfs/dbraw/zinc/20/98/29/499209829.db2.gz BOGIESDWKMGZTB-QHAWAJNXSA-N 2 0 364.493 3.296 20 0 FGADRP C[C@@H]1C[NH+](Cc2ccc(C[NH2+][C@@H]3CCCc4n[nH]cc43)cc2)C[C@@H](C)O1 ZINC000367614416 499217967 /nfs/dbraw/zinc/21/79/67/499217967.db2.gz HUDIQLYRCBYLAZ-JXXFODFXSA-N 2 0 354.498 3.186 20 0 FGADRP CC(C)[C@@H](CNC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C)[NH+]1CCC(C)CC1 ZINC000370682362 499243935 /nfs/dbraw/zinc/24/39/35/499243935.db2.gz QZIZUZYFNOXSSR-JIRNRHONSA-N 2 0 364.578 3.010 20 0 FGADRP COc1ccc(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)c2ccccc12 ZINC000370698834 499245745 /nfs/dbraw/zinc/24/57/45/499245745.db2.gz KISJEAGISXEUIV-AVRDEDQJSA-N 2 0 367.537 3.306 20 0 FGADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@@H]1CCCOc2c3ccccc3ccc21 ZINC000370753918 499251722 /nfs/dbraw/zinc/25/17/22/499251722.db2.gz NGIZKNRYFPCECJ-LAUBAEHRSA-N 2 0 353.510 3.279 20 0 FGADRP C[C@H](C(=O)N1C[C@@H]2C[N@H+](C)[C@H](c3ccccc3)[C@@H]2C1)[C@@H]([NH3+])c1ccccc1 ZINC000370772361 499253281 /nfs/dbraw/zinc/25/32/81/499253281.db2.gz KXQMKGQKAYHQQW-WVCANSMHSA-N 2 0 363.505 3.084 20 0 FGADRP C[C@H](NC(=O)c1ccccc1C[NH+](C)C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000368155534 499269570 /nfs/dbraw/zinc/26/95/70/499269570.db2.gz OTDVJDBLBQJYOG-AZUAARDMSA-N 2 0 365.521 3.389 20 0 FGADRP CC1CC[NH+](CCCC[NH2+][C@@H]2CCS(=O)(=O)c3c(F)cccc32)CC1 ZINC000368375172 499290473 /nfs/dbraw/zinc/29/04/73/499290473.db2.gz SBPWHKFVPWPJNG-GOSISDBHSA-N 2 0 368.518 3.146 20 0 FGADRP C[C@@H]([NH2+]Cc1ccnc(-n2ccnc2)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000368421216 499294158 /nfs/dbraw/zinc/29/41/58/499294158.db2.gz BZJFPIDSXLHHHO-NQIIRXRSSA-N 2 0 361.493 3.268 20 0 FGADRP C(C[NH+]1CCCC1)C[NH+]1CCC2(C[C@@H]2c2nnc3n2CCCCC3)CC1 ZINC000371184647 499296498 /nfs/dbraw/zinc/29/64/98/499296498.db2.gz ORKYYURYNSVKNJ-GOSISDBHSA-N 2 0 357.546 3.060 20 0 FGADRP C[C@@H]([NH2+]CCC1CC[NH+](C2CCN(C)CC2)CC1)c1cccc(CO)c1 ZINC000368586965 499310587 /nfs/dbraw/zinc/31/05/87/499310587.db2.gz AOBJQFRVNQIUOJ-GOSISDBHSA-N 2 0 359.558 3.026 20 0 FGADRP C[N@H+](C[C@@H]1CC12CC[NH+](C[C@@H]1CN(c3ccccc3)C(=O)O1)CC2)C1CC1 ZINC000371329856 499311296 /nfs/dbraw/zinc/31/12/96/499311296.db2.gz OPRUVDUVMIRKOE-FXAWDEMLSA-N 2 0 369.509 3.208 20 0 FGADRP COc1ccc2cc(C[N@@H+]3CC[C@@H](N4CC[NH+](C(C)C)CC4)C3)ccc2c1 ZINC000371335008 499312244 /nfs/dbraw/zinc/31/22/44/499312244.db2.gz IJAFKZJFBKGSIS-JOCHJYFZSA-N 2 0 367.537 3.449 20 0 FGADRP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCC(c2c[nH]c3ccc(C(N)=O)cc32)CC1 ZINC000368624747 499314775 /nfs/dbraw/zinc/31/47/75/499314775.db2.gz WOVVKPQZMOBTTL-GOSISDBHSA-N 2 0 368.525 3.321 20 0 FGADRP C[C@H]1C[NH+](CCCC[NH2+]C2CCC(O)(c3ccccc3)CC2)C[C@H](C)O1 ZINC000368650924 499317378 /nfs/dbraw/zinc/31/73/78/499317378.db2.gz RHFVHLDIIQDWRA-CDNGDFIJSA-N 2 0 360.542 3.296 20 0 FGADRP CC[N@@H+]1CC[C@H](CNC(=O)C2CC[NH+](Cc3ccc(Cl)s3)CC2)C1 ZINC000371841976 499370808 /nfs/dbraw/zinc/37/08/08/499370808.db2.gz DUYGLSJWUFLCNY-CQSZACIVSA-N 2 0 369.962 3.072 20 0 FGADRP CCC[NH+]1CCN(C2CC[NH+](Cc3ccc(OC(F)F)cc3)CC2)CC1 ZINC000369153110 499371446 /nfs/dbraw/zinc/37/14/46/499371446.db2.gz BOLNSKQTKDKNLR-UHFFFAOYSA-N 2 0 367.484 3.280 20 0 FGADRP COc1ccccc1C[C@@H]1CCC[N@H+](CCCN2CC[NH+](C(C)C)CC2)C1 ZINC000369182805 499375220 /nfs/dbraw/zinc/37/52/20/499375220.db2.gz IUNKSGMJWFOCLW-NRFANRHFSA-N 2 0 373.585 3.366 20 0 FGADRP C(C[NH2+][C@@H]1CCCC12CCOCC2)C[NH2+][C@@H]1CCCC12CCOCC2 ZINC000369204773 499377165 /nfs/dbraw/zinc/37/71/65/499377165.db2.gz HKFVVVQPZUEWST-RTBURBONSA-N 2 0 350.547 3.254 20 0 FGADRP C[C@H]([NH2+]C1CCN(C2CC[NH+](C)CC2)CC1)c1ccc2c(c1)OCCCO2 ZINC000371979570 499386289 /nfs/dbraw/zinc/38/62/89/499386289.db2.gz MORMFMLHUXBXDZ-KRWDZBQOSA-N 2 0 373.541 3.057 20 0 FGADRP C[C@@H]1CCC[N@@H+]1C1CCN(C(=O)[C@H]2CCC[NH+](Cc3ccccc3)C2)CC1 ZINC000372086818 499397664 /nfs/dbraw/zinc/39/76/64/499397664.db2.gz QHWFPTDXXZUERU-CTNGQTDRSA-N 2 0 369.553 3.374 20 0 FGADRP C[C@H](C(=O)NC[C@@H]1CC[N@H+](C)[C@@H]1c1cccs1)[C@H]([NH3+])c1ccccc1 ZINC000372099328 499398908 /nfs/dbraw/zinc/39/89/08/499398908.db2.gz SZMMAGWYXRNEDC-CBVHJVASSA-N 2 0 357.523 3.193 20 0 FGADRP C[NH+](C)CCN(CC[NH+](C)C)Cc1c(OC(F)F)ccc2ccccc21 ZINC000576385997 506145403 /nfs/dbraw/zinc/14/54/03/506145403.db2.gz KHWCMZQTWVMKLG-UHFFFAOYSA-N 2 0 365.468 3.366 20 0 FGADRP C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@H]1NCc1ncc(-c2cccc(F)c2)o1 ZINC000372353674 499424113 /nfs/dbraw/zinc/42/41/13/499424113.db2.gz HFBNXDKDFZXFKK-ATZDWAIDSA-N 2 0 373.472 3.460 20 0 FGADRP C[NH+]1CCC2(CCCN2C(=O)NCc2cccc(C[NH+]3CCCC3)c2)CC1 ZINC000372433139 499434066 /nfs/dbraw/zinc/43/40/66/499434066.db2.gz BBORNAHIFWJUOU-UHFFFAOYSA-N 2 0 370.541 3.052 20 0 FGADRP NC(=O)C1CCC(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC000373142238 499453481 /nfs/dbraw/zinc/45/34/81/499453481.db2.gz SXTWWEOKBMKDNX-LCXRTDQJSA-N 2 0 355.526 3.063 20 0 FGADRP Cc1cccc(C)c1OCCC[N@@H+]1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000373176502 499455610 /nfs/dbraw/zinc/45/56/10/499455610.db2.gz LQJLLAZFMVCUJI-HXUWFJFHSA-N 2 0 359.558 3.173 20 0 FGADRP c1ccc(C[N@@H+]2CCC[C@@]23CCOC3)c(C[NH+]2CCC[C@@]23CCOC3)c1 ZINC000375278193 499502643 /nfs/dbraw/zinc/50/26/43/499502643.db2.gz KGPFNJXVVVYOPC-VXKWHMMOSA-N 2 0 356.510 3.196 20 0 FGADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+][C@H]3CCCN(c4ccncn4)C3)CC2)C1 ZINC000378473444 499521393 /nfs/dbraw/zinc/52/13/93/499521393.db2.gz KCTKLFHWZOSPMO-HOJAQTOUSA-N 2 0 357.546 3.078 20 0 FGADRP C[C@@H]1C[C@@H](NC(=O)[C@@H]([NH3+])CC2CCCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000379676787 499542585 /nfs/dbraw/zinc/54/25/85/499542585.db2.gz AWNBERMDCQDTBD-QMMLZNLJSA-N 2 0 357.542 3.453 20 0 FGADRP O[C@@H](C[NH2+]C[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)COc1ccccc1 ZINC000380852677 499544217 /nfs/dbraw/zinc/54/42/17/499544217.db2.gz CNDHNLOOIKWDFU-VXKWHMMOSA-N 2 0 368.521 3.318 20 0 FGADRP C[C@H]([NH2+]Cc1cnn(CC(F)(F)F)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000381942241 499545328 /nfs/dbraw/zinc/54/53/28/499545328.db2.gz ZFFSXIMUTSGDCO-MAUKXSAKSA-N 2 0 366.431 3.446 20 0 FGADRP O=C(NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccc2c(c1)C[NH2+]C2 ZINC000390989978 499556016 /nfs/dbraw/zinc/55/60/16/499556016.db2.gz WSIFTYBHOWXQGX-FRIKZZABSA-N 2 0 361.489 3.215 20 0 FGADRP C[N@@H+]1CC[C@H]([NH2+]Cc2cccc(NC(=O)c3ccncc3)c2)[C@@H]2CCC[C@@H]21 ZINC000375854595 499562579 /nfs/dbraw/zinc/56/25/79/499562579.db2.gz UWCZDOFXVNDLDY-ACRUOGEOSA-N 2 0 364.493 3.296 20 0 FGADRP COc1cccc([C@@H](C)[NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)c1 ZINC000397498406 499564123 /nfs/dbraw/zinc/56/41/23/499564123.db2.gz SPEWEANYRKYTSY-GOSISDBHSA-N 2 0 354.494 3.373 20 0 FGADRP COc1ccc2c(c1)[C@@H]([NH2+]CC1(O)CC[NH+](Cc3ccccc3)CC1)CC2 ZINC000397609263 499564586 /nfs/dbraw/zinc/56/45/86/499564586.db2.gz QQCHWRZOTHLQTO-QFIPXVFZSA-N 2 0 366.505 3.299 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)[C@H]([NH3+])CC1CCCCC1 ZINC000398058003 499566252 /nfs/dbraw/zinc/56/62/52/499566252.db2.gz LSIGCNMFHVKYLH-DUXKGJEZSA-N 2 0 357.542 3.311 20 0 FGADRP C[C@@H]1[C@H](C)[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)CC[C@@H]1CCC[NH2+]C1 ZINC000404307298 499570194 /nfs/dbraw/zinc/57/01/94/499570194.db2.gz CPOSYZNUBBZDAI-HAGHYFMRSA-N 2 0 357.542 3.276 20 0 FGADRP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+][C@H]3CCCN(c4ccnn4C)C3)CC2)C1 ZINC000376056439 499579213 /nfs/dbraw/zinc/57/92/13/499579213.db2.gz VVMOHHRORGQZDM-YZGWKJHDSA-N 2 0 359.562 3.022 20 0 FGADRP C[C@@H]([NH2+]C[C@H](O)COc1ccc(-c2ccccc2)cc1)C1=CC[N@H+](C)CC1 ZINC000573238946 506151024 /nfs/dbraw/zinc/15/10/24/506151024.db2.gz FKDCPXWUBQWAGX-GCJKJVERSA-N 2 0 366.505 3.333 20 0 FGADRP C[C@H]1C[C@H](C)C[NH+](CCCC[NH2+]C2CCN(c3nccs3)CC2)C1 ZINC000376878703 499643178 /nfs/dbraw/zinc/64/31/78/499643178.db2.gz WVTRMIPDBFKYFW-IRXDYDNUSA-N 2 0 350.576 3.460 20 0 FGADRP C[N@H+](Cc1ccccc1)[C@H]1CCCN(C(=O)c2ccc(C[NH3+])cc2)CC1 ZINC000376927189 499647002 /nfs/dbraw/zinc/64/70/02/499647002.db2.gz YVMYNKSEFRXWRC-NRFANRHFSA-N 2 0 351.494 3.272 20 0 FGADRP CC(C)[NH+]1CCN(C(=O)NCc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)CC1 ZINC000410348648 499656609 /nfs/dbraw/zinc/65/66/09/499656609.db2.gz ZMEGJZUKDRRKCC-LJQANCHMSA-N 2 0 372.557 3.297 20 0 FGADRP CC[NH+](CC)CCNC(=O)NCc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000410375699 499658475 /nfs/dbraw/zinc/65/84/75/499658475.db2.gz PXHUUFLBIXPFJE-SFHVURJKSA-N 2 0 360.546 3.060 20 0 FGADRP Cc1ncc(CN2CC[C@H]([NH2+][C@H]3[C@H]4CCO[C@H]4C34CCC4)[C@H](C)C2)s1 ZINC000377283564 499676669 /nfs/dbraw/zinc/67/66/69/499676669.db2.gz ROIGRMNELBVFRM-RBPQIDMKSA-N 2 0 361.555 3.209 20 0 FGADRP C[N@H+](C[C@@H]1CC12CC[NH+]([C@@H]1CCc3ccccc3NC1=O)CC2)C1CC1 ZINC000377307400 499678534 /nfs/dbraw/zinc/67/85/34/499678534.db2.gz IOTBCMVOHVLUNK-FXAWDEMLSA-N 2 0 353.510 3.136 20 0 FGADRP C[C@H](c1nc(C2CC2)no1)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000377334776 499680762 /nfs/dbraw/zinc/68/07/62/499680762.db2.gz DCVPNJZDAPNHGB-ATZDWAIDSA-N 2 0 352.482 3.462 20 0 FGADRP C[NH+](C)CCOc1cnccc1C[NH2+][C@H]1CCC[C@@H](c2cccnc2)C1 ZINC000377398935 499686911 /nfs/dbraw/zinc/68/69/11/499686911.db2.gz BQOASQOUMNFQQB-XLIONFOSSA-N 2 0 354.498 3.233 20 0 FGADRP Cc1ccc2ncc(C[NH+]3CCC(CC[NH+]4CCOCC4)CC3)cc2c1 ZINC000411216719 499712554 /nfs/dbraw/zinc/71/25/54/499712554.db2.gz FMWZQCUCTMVCQE-UHFFFAOYSA-N 2 0 353.510 3.478 20 0 FGADRP C[C@@H](c1ccc2c(c1)OCCCO2)[N@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000377628120 499712825 /nfs/dbraw/zinc/71/28/25/499712825.db2.gz OAJJHLQZHAHPRN-FXAWDEMLSA-N 2 0 373.541 3.009 20 0 FGADRP CN(Cc1c(F)cccc1N1CCCC1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000377634791 499713481 /nfs/dbraw/zinc/71/34/81/499713481.db2.gz YPPUVDMYAHHYEW-LJQANCHMSA-N 2 0 374.548 3.026 20 0 FGADRP CN1CC[NH+](CC2CC[NH+](CC3CCC(C(F)(F)F)CC3)CC2)CC1 ZINC000377634787 499713529 /nfs/dbraw/zinc/71/35/29/499713529.db2.gz YOTUOFQWBKLAQU-UHFFFAOYSA-N 2 0 361.496 3.315 20 0 FGADRP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411399707 499734713 /nfs/dbraw/zinc/73/47/13/499734713.db2.gz LZVNZLXXDJDPCY-XPWALMASSA-N 3 0 371.569 3.356 20 0 FGADRP Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)[C@@H]1CC[NH2+][C@@H]1C(C)C ZINC000377816730 499738176 /nfs/dbraw/zinc/73/81/76/499738176.db2.gz KXZHLQXDRLXPPL-IEBWSBKVSA-N 2 0 361.555 3.116 20 0 FGADRP CC(C)[NH+]1CCC(NC(=O)C[NH2+][C@@H](C)c2ccc3c(c2)CCCC3)CC1 ZINC000411443539 499741031 /nfs/dbraw/zinc/74/10/31/499741031.db2.gz YJSCEQRAXPZLBE-KRWDZBQOSA-N 2 0 357.542 3.205 20 0 FGADRP C[C@H]1C[C@@H](C(=O)NC[C@@H]2CC[NH+](C)[C@H]2c2cccc(Cl)c2)CC[N@@H+]1C ZINC000377928312 499748801 /nfs/dbraw/zinc/74/88/01/499748801.db2.gz XKXRESZPPNNIPM-XPYUAMARSA-N 2 0 363.933 3.179 20 0 FGADRP Cc1ccc(C[NH+]2CCC(CNC(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)CC2)cc1 ZINC000377958305 499751110 /nfs/dbraw/zinc/75/11/10/499751110.db2.gz NDJROFQTTLYNDR-RXVVDRJESA-N 2 0 357.542 3.054 20 0 FGADRP CC[N@H+](C)Cc1cccc(C[NH2+][C@@H]2CC[NH+](C[C@H]3CCCO3)C[C@@H]2C)c1 ZINC000378167908 499761777 /nfs/dbraw/zinc/76/17/77/499761777.db2.gz XYRFOORZEIOZTK-VLCRHTCISA-N 3 0 359.558 3.117 20 0 FGADRP CCOC(=O)C[C@@H]1C[C@@H](OC)C[N@@H+]1Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411558925 499762962 /nfs/dbraw/zinc/76/29/62/499762962.db2.gz MQCOVKUEJSLFRX-LEWJYISDSA-N 2 0 374.525 3.215 20 0 FGADRP Cc1cc(C)c([C@@H](C)[NH2+]CC2(N3CCOCC3)CC[NH+](C)CC2)cc1C ZINC000414179271 499765896 /nfs/dbraw/zinc/76/58/96/499765896.db2.gz AFTQZDXCAGTCHX-HXUWFJFHSA-N 2 0 359.558 3.059 20 0 FGADRP CC(C)[C@@H]1C[C@H]([NH2+]CC2(N3CCOCC3)CC[NH+](C)CC2)c2ccccc21 ZINC000414184305 499766739 /nfs/dbraw/zinc/76/67/39/499766739.db2.gz FPTNOTRHNVZPPX-VXKWHMMOSA-N 2 0 371.569 3.257 20 0 FGADRP C[C@@H]1CC[C@@H]([NH2+]CC2(N3CCOCC3)CC[NH+](C)CC2)c2sccc21 ZINC000414207192 499768489 /nfs/dbraw/zinc/76/84/89/499768489.db2.gz ZGUSXKSHCWIFKF-SJLPKXTDSA-N 2 0 363.571 3.073 20 0 FGADRP CC1(C)C[N@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C[C@@]2(CCOC2)O1 ZINC000411659410 499774049 /nfs/dbraw/zinc/77/40/49/499774049.db2.gz GSOQKKOFQTZEAU-JOCHJYFZSA-N 2 0 358.526 3.442 20 0 FGADRP C[C@H]([NH2+]C[C@H](CO)c1ccc(F)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000414299568 499775350 /nfs/dbraw/zinc/77/53/50/499775350.db2.gz UHINCXIEHQXSPN-DZFGPLHGSA-N 2 0 356.485 3.402 20 0 FGADRP CC(C)n1ccc(C[C@H](C)[NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)n1 ZINC000414312823 499776751 /nfs/dbraw/zinc/77/67/51/499776751.db2.gz WXYKWJFLBVQBGF-IBGZPJMESA-N 2 0 370.541 3.012 20 0 FGADRP Cc1ccc([C@@H](C)[NH2+]Cc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)o1 ZINC000414324681 499777994 /nfs/dbraw/zinc/77/79/94/499777994.db2.gz KXGNPUMQFRNUHO-MRXNPFEDSA-N 2 0 355.482 3.136 20 0 FGADRP CC[C@@H]1C[C@]1([NH2+]CC(=O)NC1CC[NH+](C(C)C)CC1)c1cccc(C)c1 ZINC000411689113 499778163 /nfs/dbraw/zinc/77/81/63/499778163.db2.gz JVYBEBXDZGDKTR-XMSQKQJNSA-N 2 0 357.542 3.199 20 0 FGADRP CC[C@H]1C[C@]1([NH2+]CC(=O)NC1CC[NH+](C(C)C)CC1)c1cccc(C)c1 ZINC000411689111 499778253 /nfs/dbraw/zinc/77/82/53/499778253.db2.gz JVYBEBXDZGDKTR-PGRDOPGGSA-N 2 0 357.542 3.199 20 0 FGADRP NC(=O)C1CC[NH+](Cc2ccc(C[NH2+]C(C3CCC3)C3CCC3)cc2)CC1 ZINC000414346975 499779706 /nfs/dbraw/zinc/77/97/06/499779706.db2.gz WBFRFVWPRZOTMX-UHFFFAOYSA-N 2 0 369.553 3.442 20 0 FGADRP OC[C@]1([C@H]([NH2+]Cc2cccc(C[NH+]3CCCCC3)c2)C2CC2)CCCO1 ZINC000411774290 499789237 /nfs/dbraw/zinc/78/92/37/499789237.db2.gz VBGFBJLJRGQYHF-YADHBBJMSA-N 2 0 358.526 3.082 20 0 FGADRP CC[NH+]1CCC(NC(=O)C[NH2+][C@H](c2ccc(F)c(Cl)c2)C2CC2)CC1 ZINC000411784142 499790498 /nfs/dbraw/zinc/79/04/98/499790498.db2.gz INVWVIXFYIMXTL-IBGZPJMESA-N 2 0 367.896 3.120 20 0 FGADRP CC(CC[NH+]1CCC[C@@]2(CCOC2)C1)CC[N@@H+]1CCC[C@@]2(CCOC2)C1 ZINC000411804514 499792629 /nfs/dbraw/zinc/79/26/29/499792629.db2.gz RLSLMZVHIFSOIJ-FGZHOGPDSA-N 2 0 364.574 3.408 20 0 FGADRP [NH3+]CCN(c1ccc2ccccc2n1)C1CC[NH+](Cc2cccnc2)CC1 ZINC000414488726 499798419 /nfs/dbraw/zinc/79/84/19/499798419.db2.gz MCBYEMKNWMFURU-UHFFFAOYSA-N 2 0 361.493 3.060 20 0 FGADRP C[C@@H](C[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1)CC1CCOCC1 ZINC000414519560 499802310 /nfs/dbraw/zinc/80/23/10/499802310.db2.gz BJXOIVRAMOWSLL-LJQANCHMSA-N 2 0 360.542 3.056 20 0 FGADRP Cc1ccc(F)c(C[NH2+]Cc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)c1 ZINC000414558548 499808913 /nfs/dbraw/zinc/80/89/13/499808913.db2.gz SHBIRLVRBQQGNA-UHFFFAOYSA-N 2 0 369.484 3.121 20 0 FGADRP CC(C)(C)c1ccc([C@H]2CCC[N@@H+]2C[C@H]2CCCN(C(=O)C[NH3+])C2)cc1 ZINC000414679880 499819978 /nfs/dbraw/zinc/81/99/78/499819978.db2.gz SHCUFWYZGSRQDW-YLJYHZDGSA-N 2 0 357.542 3.318 20 0 FGADRP C[C@@H]1C[C@H](C[NH+]2CCN(C(=O)c3cc4sccc4s3)CC2)CC[NH2+]1 ZINC000414760031 499827500 /nfs/dbraw/zinc/82/75/00/499827500.db2.gz XMNDYQJFESPYHX-ZIAGYGMSSA-N 2 0 363.552 3.109 20 0 FGADRP COc1ccc(Br)c(C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000414771739 499828936 /nfs/dbraw/zinc/82/89/36/499828936.db2.gz AIXFKOZWQPDDJD-KBPBESRZSA-N 2 0 353.304 3.279 20 0 FGADRP C[C@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C[C@H]1C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000412161057 499829186 /nfs/dbraw/zinc/82/91/86/499829186.db2.gz LBXKVFAAZMWLHP-YRIDSSQKSA-N 2 0 357.542 3.275 20 0 FGADRP Clc1cc(C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc2c1OCCCO2 ZINC000414784254 499830832 /nfs/dbraw/zinc/83/08/32/499830832.db2.gz RAVSTQVAOUFKPT-HOTGVXAUSA-N 2 0 350.890 3.323 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)C1CC[NH+]([C@H]2CCSC2)CC1)CC(C)C ZINC000412177040 499830922 /nfs/dbraw/zinc/83/09/22/499830922.db2.gz QWFVOANASMMXPQ-RBUKOAKNSA-N 2 0 369.619 3.077 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)C1CC[NH+]([C@H]2CCSC2)CC1)CC(C)C ZINC000412177037 499830960 /nfs/dbraw/zinc/83/09/60/499830960.db2.gz QWFVOANASMMXPQ-OALUTQOASA-N 2 0 369.619 3.077 20 0 FGADRP CCCOc1ccc(C[NH+]2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)cc1OCC ZINC000414786779 499831157 /nfs/dbraw/zinc/83/11/57/499831157.db2.gz LJBBSQSSJXXAAV-NQIIRXRSSA-N 2 0 362.514 3.202 20 0 FGADRP Cc1ccc(-c2ncc(C[NH+]3CCC([C@@H]4OCC[C@H]4[NH3+])CC3)s2)cc1 ZINC000414795370 499832093 /nfs/dbraw/zinc/83/20/93/499832093.db2.gz WEQFCEXGMMWBMM-MOPGFXCFSA-N 2 0 357.523 3.447 20 0 FGADRP COc1cc(C[NH2+][C@H]2CCCC[C@H]2C[NH3+])ccc1OCc1ccncc1 ZINC000414801740 499832967 /nfs/dbraw/zinc/83/29/67/499832967.db2.gz MCDGLJXKJHCPNH-OALUTQOASA-N 2 0 355.482 3.276 20 0 FGADRP CC[NH+]1CCN(c2ccccc2C[NH2+]Cc2ccc([C@@H](C)[NH3+])cc2)CC1 ZINC000414806590 499833104 /nfs/dbraw/zinc/83/31/04/499833104.db2.gz HSYBTWUJTXOVKI-GOSISDBHSA-N 3 0 352.526 3.138 20 0 FGADRP COc1ccc(OC)c(NC(=O)C[C@@H](C)[NH2+]Cc2ccc([C@H](C)[NH3+])cc2)c1 ZINC000414806437 499833218 /nfs/dbraw/zinc/83/32/18/499833218.db2.gz BSZGTJUTGPVBHU-CABCVRRESA-N 2 0 371.481 3.230 20 0 FGADRP CCOc1cc(C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])cc(Br)c1OC ZINC000414809372 499833513 /nfs/dbraw/zinc/83/35/13/499833513.db2.gz UBEMXIHTUSZTHF-UKRRQHHQSA-N 2 0 371.319 3.464 20 0 FGADRP C[NH2+]C[C@@H](C)C[NH2+]Cc1ccc(OCc2cn3cccc(C)c3n2)cc1 ZINC000414829030 499834982 /nfs/dbraw/zinc/83/49/82/499834982.db2.gz AERAAZUZIKKJSC-MRXNPFEDSA-N 2 0 352.482 3.167 20 0 FGADRP COc1cccc(-c2nn(C(C)(C)C)cc2C[NH2+]CC[C@@H]2CC[NH2+]C2)c1 ZINC000414832784 499835572 /nfs/dbraw/zinc/83/55/72/499835572.db2.gz OWJGZBIASDDONP-INIZCTEOSA-N 2 0 356.514 3.403 20 0 FGADRP C[C@@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000414837466 499836255 /nfs/dbraw/zinc/83/62/55/499836255.db2.gz KDPISQHJLBPWGR-HOTGVXAUSA-N 2 0 351.922 3.056 20 0 FGADRP COc1ccc(Cn2nc(C)c(C[NH2+]CC[C@H]3CCC[NH2+]C3)c2C)cc1 ZINC000414839727 499836352 /nfs/dbraw/zinc/83/63/52/499836352.db2.gz MNFJDPFOIIGNML-GOSISDBHSA-N 2 0 356.514 3.036 20 0 FGADRP COc1cc(C[NH2+][C@H](C)[C@H]2CCC[NH2+]C2)ccc1OCc1ccncc1 ZINC000414849641 499837735 /nfs/dbraw/zinc/83/77/35/499837735.db2.gz HMGIFAWRJGWNLX-APWZRJJASA-N 2 0 355.482 3.147 20 0 FGADRP CCOc1c(Br)cc(C[NH2+][C@@H](C)[C@H]2CCC[NH2+]C2)cc1OC ZINC000414858304 499838565 /nfs/dbraw/zinc/83/85/65/499838565.db2.gz RFMDCGYLCOCQFO-JSGCOSHPSA-N 2 0 371.319 3.334 20 0 FGADRP CC1(C[NH2+]Cc2cn(-c3cccc(Cl)c3Cl)nn2)CC[NH2+]CC1 ZINC000414897012 499842762 /nfs/dbraw/zinc/84/27/62/499842762.db2.gz CTJIUUBWNHCRSK-UHFFFAOYSA-N 2 0 354.285 3.053 20 0 FGADRP [NH3+]C[C@H](NC1CC[NH+](Cc2cccnc2)CC1)c1ccc2ccccc2c1 ZINC000414945701 499847681 /nfs/dbraw/zinc/84/76/81/499847681.db2.gz RYEPHFWIISRWCV-QHCPKHFHSA-N 2 0 360.505 3.489 20 0 FGADRP O=C(NCC[C@@H]1CCC[NH2+]C1)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000414974320 499850453 /nfs/dbraw/zinc/85/04/53/499850453.db2.gz JSIZQSYDUWJPAH-IBGZPJMESA-N 2 0 358.530 3.226 20 0 FGADRP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)C1 ZINC000414978251 499850735 /nfs/dbraw/zinc/85/07/35/499850735.db2.gz RHCQFFPSNYSFEV-PKOBYXMFSA-N 2 0 358.530 3.306 20 0 FGADRP Cc1cccn2c(C[NH2+]C[C@@H]3C[NH2+]CC[C@@H]3c3ccc(F)cc3)cnc12 ZINC000414995341 499852943 /nfs/dbraw/zinc/85/29/43/499852943.db2.gz FHHVSHMXIKGAAJ-FXAWDEMLSA-N 2 0 352.457 3.265 20 0 FGADRP C[C@@H](Cc1ccc(Br)cc1F)[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000415006964 499854444 /nfs/dbraw/zinc/85/44/44/499854444.db2.gz KWQFEAZLDNNFBD-XNJJOIOASA-N 2 0 355.295 3.497 20 0 FGADRP COc1ccc(C[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)cc1OCc1cccnc1 ZINC000415007650 499854318 /nfs/dbraw/zinc/85/43/18/499854318.db2.gz LYNSNWKCROXSGH-VQTJNVASSA-N 2 0 367.493 3.147 20 0 FGADRP C[C@H](CCCC[NH3+])[NH2+]Cc1nc(-c2cccc(Br)c2)c[nH]1 ZINC000415015155 499855103 /nfs/dbraw/zinc/85/51/03/499855103.db2.gz NOUCLGKUFFGODG-GFCCVEGCSA-N 2 0 351.292 3.446 20 0 FGADRP C[C@@H](CCCC[NH3+])[NH2+]Cc1nc(-c2cccc(Br)c2)c[nH]1 ZINC000415015157 499855472 /nfs/dbraw/zinc/85/54/72/499855472.db2.gz NOUCLGKUFFGODG-LBPRGKRZSA-N 2 0 351.292 3.446 20 0 FGADRP C[C@@H](CCC[NH3+])[NH2+]Cc1ccc(I)cc1Cl ZINC000415027698 499856225 /nfs/dbraw/zinc/85/62/25/499856225.db2.gz XEQAKJGVMZYRSX-VIFPVBQESA-N 2 0 352.647 3.162 20 0 FGADRP CCOc1cc(C[NH2+][C@@H]2CC[C@H](C[NH3+])C2)cc(Br)c1OC ZINC000415049768 499858173 /nfs/dbraw/zinc/85/81/73/499858173.db2.gz YCWDCVRIZBQVPL-WCQYABFASA-N 2 0 357.292 3.073 20 0 FGADRP COc1ccc(CC[NH2+][C@@H](C)C[C@H]2CCCCC[NH2+]2)c(OC)c1OC ZINC000415075303 499860826 /nfs/dbraw/zinc/86/08/26/499860826.db2.gz BGOPMCMJKNYDIA-DOTOQJQBSA-N 2 0 350.503 3.155 20 0 FGADRP [NH3+]CC(=O)N1CCC[C@H](C[NH2+][C@@H](c2ccccc2)c2cccc(Cl)c2)C1 ZINC000415081810 499861777 /nfs/dbraw/zinc/86/17/77/499861777.db2.gz CGXIAHVJKZORDN-IERDGZPVSA-N 2 0 371.912 3.216 20 0 FGADRP C[C@H]1C[C@@H](C[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccncc2)CC[NH2+]1 ZINC000415085213 499862045 /nfs/dbraw/zinc/86/20/45/499862045.db2.gz SCGNTDOYABYVGC-ROUUACIJSA-N 2 0 361.493 3.412 20 0 FGADRP COc1ccc(C[C@H](C)C[NH+]2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)cc1F ZINC000415102329 499863691 /nfs/dbraw/zinc/86/36/91/499863691.db2.gz DNLFWAJZSOHZJC-NYSBEXSLSA-N 2 0 364.505 3.231 20 0 FGADRP CCCCCOc1ccc(C[N@@H+]2CCC[C@@H](n3cc(C[NH3+])nn3)C2)cc1 ZINC000415103251 499863902 /nfs/dbraw/zinc/86/39/02/499863902.db2.gz CYPYGCLFVUIRFV-LJQANCHMSA-N 2 0 357.502 3.143 20 0 FGADRP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](Cc2ccc(OC(F)F)c(F)c2)CC1 ZINC000415106576 499864356 /nfs/dbraw/zinc/86/43/56/499864356.db2.gz JTKUYZIDUQMKJU-NVXWUHKLSA-N 2 0 358.404 3.145 20 0 FGADRP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000415111917 499865282 /nfs/dbraw/zinc/86/52/82/499865282.db2.gz RJUMFILJQJWXKV-YADHBBJMSA-N 3 0 373.585 3.363 20 0 FGADRP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](Cc2cccc(Br)c2)CC1 ZINC000415122410 499866599 /nfs/dbraw/zinc/86/65/99/499866599.db2.gz IFZJZEVKBRGIRY-IAGOWNOFSA-N 2 0 353.304 3.167 20 0 FGADRP CCOc1ccc(C[NH2+]CC2(N)CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000415124886 499866913 /nfs/dbraw/zinc/86/69/13/499866913.db2.gz CWRJAELYSQKQFN-UHFFFAOYSA-N 2 0 353.510 3.168 20 0 FGADRP [NH3+][C@H]1CCO[C@H](C2CC[NH+](Cc3cc(Br)cs3)CC2)C1 ZINC000415124241 499866925 /nfs/dbraw/zinc/86/69/25/499866925.db2.gz MJDGXIXBJJEECU-ZFWWWQNUSA-N 2 0 359.333 3.229 20 0 FGADRP CCOc1c(Cl)cccc1C[NH+]1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000415129590 499867651 /nfs/dbraw/zinc/86/76/51/499867651.db2.gz VFYVQWVQDSQRMU-SJLPKXTDSA-N 2 0 352.906 3.457 20 0 FGADRP COc1ccc(C)cc1C[NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1 ZINC000415137945 499869186 /nfs/dbraw/zinc/86/91/86/499869186.db2.gz UNHZIZQYNJDSMG-UHFFFAOYSA-N 2 0 353.510 3.087 20 0 FGADRP C[C@@H]([NH2+]CC(=O)N1CC[NH2+]CC1)c1ccc(-c2ccccc2Cl)s1 ZINC000576458217 506163259 /nfs/dbraw/zinc/16/32/59/506163259.db2.gz QODQECRAHLGIOL-CYBMUJFWSA-N 2 0 363.914 3.151 20 0 FGADRP CC[NH+](CC)CCOc1ccc(NC(=O)NC[C@@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000415180459 499874099 /nfs/dbraw/zinc/87/40/99/499874099.db2.gz LBOBSOXVPWEUBY-IAGOWNOFSA-N 2 0 362.518 3.046 20 0 FGADRP C[NH2+]Cc1ccccc1NC(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000415903229 499926241 /nfs/dbraw/zinc/92/62/41/499926241.db2.gz PZKYEKIPTCUASE-GOSISDBHSA-N 2 0 360.889 3.484 20 0 FGADRP C[NH2+]Cc1ccccc1NC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000415914027 499927619 /nfs/dbraw/zinc/92/76/19/499927619.db2.gz UBTKEYWRHSUKQO-FXAWDEMLSA-N 2 0 366.509 3.438 20 0 FGADRP C[NH2+]Cc1ccccc1NC(=O)N[C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000415922068 499928904 /nfs/dbraw/zinc/92/89/04/499928904.db2.gz NGVOGBYXLAVUAC-XLIONFOSSA-N 2 0 366.509 3.438 20 0 FGADRP C[N@@H+]1CCC[C@]2(CCN(C(=O)Nc3cc(C[NH3+])cc(C(F)(F)F)c3)C2)C1 ZINC000415965961 499934665 /nfs/dbraw/zinc/93/46/65/499934665.db2.gz FWRRAJQQRNGOHS-KRWDZBQOSA-N 2 0 370.419 3.114 20 0 FGADRP CC[C@@H](CNC(=O)Nc1ccc(C[NH3+])cc1)[N@@H+]1CCc2ccccc2C1 ZINC000415973657 499935801 /nfs/dbraw/zinc/93/58/01/499935801.db2.gz JRZXQRYYNQCACA-FQEVSTJZSA-N 2 0 352.482 3.104 20 0 FGADRP C[NH2+]Cc1ccc(NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000415977787 499936634 /nfs/dbraw/zinc/93/66/34/499936634.db2.gz YRNRNGCKNNAFER-UTKZUKDTSA-N 2 0 366.509 3.438 20 0 FGADRP CN(C(=O)Nc1ccc2c(c1)C[NH2+]C2)C1CC[NH+](Cc2ccccc2)CC1 ZINC000415985960 499937834 /nfs/dbraw/zinc/93/78/34/499937834.db2.gz AGUKVOXDXUWGHV-UHFFFAOYSA-N 2 0 364.493 3.418 20 0 FGADRP CC1CC[NH+](C[C@H]2CCCN(C(=O)Nc3ccc4c(c3)C[NH2+]C4)C2)CC1 ZINC000415988232 499938111 /nfs/dbraw/zinc/93/81/11/499938111.db2.gz CNIGDFNTGDUKOT-QGZVFWFLSA-N 2 0 356.514 3.266 20 0 FGADRP CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000415988832 499938119 /nfs/dbraw/zinc/93/81/19/499938119.db2.gz DZIOIFDNHPRLPD-UHFFFAOYSA-N 2 0 372.435 3.418 20 0 FGADRP C[NH2+]Cc1ccc(NC(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000415991507 499938406 /nfs/dbraw/zinc/93/84/06/499938406.db2.gz PNVMBLWQOBSKAQ-FQEVSTJZSA-N 2 0 352.482 3.192 20 0 FGADRP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)N1CCC([C@@H]2[NH2+]CC2(C)C)CC1 ZINC000417047784 499957156 /nfs/dbraw/zinc/95/71/56/499957156.db2.gz QXXJUJYCLUAIPK-HKUYNNGSSA-N 2 0 364.578 3.061 20 0 FGADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)N2CCCC[C@@H]2[C@@H]2CCC[NH2+]C2)C1 ZINC000417050383 499957981 /nfs/dbraw/zinc/95/79/81/499957981.db2.gz WUCHRMJCNWODRV-VAMGGRTRSA-N 2 0 364.578 3.062 20 0 FGADRP C[C@H]1CCC[N@H+](CCCCNC(=O)N[C@@H](CCC[NH3+])c2ccccc2)C1 ZINC000417050946 499958259 /nfs/dbraw/zinc/95/82/59/499958259.db2.gz YKGIFLSYPYWOJZ-ICSRJNTNSA-N 2 0 360.546 3.278 20 0 FGADRP C[NH+](C)[C@@H](CNC(=O)N[C@@H](CCC[NH3+])c1ccccc1)c1ccc(F)cc1 ZINC000417169243 499993869 /nfs/dbraw/zinc/99/38/69/499993869.db2.gz HTFOFCWJWVEHFQ-PMACEKPBSA-N 2 0 372.488 3.208 20 0 FGADRP C[C@H](CNC(=O)N[C@H](C[NH3+])c1ccc2ccccc2c1)C[NH+]1CCCCC1 ZINC000417202155 500003684 /nfs/dbraw/zinc/00/36/84/500003684.db2.gz ZGFLVNHSQOTQAI-DYESRHJHSA-N 2 0 368.525 3.261 20 0 FGADRP Cc1ccc([C@@H](CNC(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)[NH+]2CCCC2)cc1 ZINC000417356902 500047976 /nfs/dbraw/zinc/04/79/76/500047976.db2.gz QQAHKRGRQOJGOF-SFHLNBCPSA-N 2 0 372.557 3.196 20 0 FGADRP O=C(Nc1ccc2c(c1)C[NH2+]CC2)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000429336921 500054744 /nfs/dbraw/zinc/05/47/44/500054744.db2.gz WYBKBEPCQIOHRJ-GOSISDBHSA-N 2 0 367.468 3.322 20 0 FGADRP CC1CC[NH+](Cc2cccc(CNC(=O)N3CC[C@@H](C)[C@@H](C[NH3+])C3)c2)CC1 ZINC000417469498 500082945 /nfs/dbraw/zinc/08/29/45/500082945.db2.gz QIQYGWYTXFLMOS-NQIIRXRSSA-N 2 0 372.557 3.045 20 0 FGADRP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)NCc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000417472030 500083350 /nfs/dbraw/zinc/08/33/50/500083350.db2.gz WECFFCLVTUXFNC-GHTZIAJQSA-N 2 0 372.557 3.330 20 0 FGADRP C[C@@H]([NH3+])c1ccc(CNC(=O)C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000429478544 500084593 /nfs/dbraw/zinc/08/45/93/500084593.db2.gz TVODDRFIRKIQHG-QGZVFWFLSA-N 2 0 351.494 3.235 20 0 FGADRP C[C@@H]([NH3+])c1ccc(CNC(=O)[C@H]2CCC[N@H+](Cc3cccc(F)c3)C2)cc1 ZINC000429522627 500092702 /nfs/dbraw/zinc/09/27/02/500092702.db2.gz PVCMHJACPZFDRM-UZLBHIALSA-N 2 0 369.484 3.374 20 0 FGADRP C[C@@H]([NH3+])c1ccc(CNC(=O)[C@@H]2CCC[N@H+](Cc3cccc(F)c3)C2)cc1 ZINC000429522626 500092741 /nfs/dbraw/zinc/09/27/41/500092741.db2.gz PVCMHJACPZFDRM-OXQOHEQNSA-N 2 0 369.484 3.374 20 0 FGADRP COC1(C[C@H](C)[NH2+]CCCN2CC[NH+](Cc3ccccc3)CC2)CCC1 ZINC000429523178 500092910 /nfs/dbraw/zinc/09/29/10/500092910.db2.gz ZGGGHIYBQQEMOF-FQEVSTJZSA-N 2 0 359.558 3.132 20 0 FGADRP CC(C)c1ccc([C@@H]([NH3+])CNC(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)cc1 ZINC000417537154 500100380 /nfs/dbraw/zinc/10/03/80/500100380.db2.gz CPKXFPHIKWNIOF-PXNSSMCTSA-N 2 0 360.546 3.229 20 0 FGADRP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+](C)[C@@H]2CC[C@@H](C)C2)CC1 ZINC000429564622 500104632 /nfs/dbraw/zinc/10/46/32/500104632.db2.gz FNOHXQFKGIVHNO-DYESRHJHSA-N 2 0 357.542 3.196 20 0 FGADRP C[C@H]1CC[C@H]([N@H+](C)CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)C1 ZINC000429585813 500108695 /nfs/dbraw/zinc/10/86/95/500108695.db2.gz UGWHXUFBPAPFMG-LPHOPBHVSA-N 2 0 361.555 3.294 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N(CC[NH3+])Cc1ccccc1)c1ccccc1 ZINC000416831311 500132074 /nfs/dbraw/zinc/13/20/74/500132074.db2.gz AVZRKDORIACFIV-OAQYLSRUSA-N 2 0 368.525 3.240 20 0 FGADRP [NH3+]CCN(Cc1ccccc1)C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000416839771 500134761 /nfs/dbraw/zinc/13/47/61/500134761.db2.gz KGGVUNOUZDWLOC-SFHVURJKSA-N 2 0 372.538 3.056 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N1CC[C@H]([C@H](C)[NH3+])C1)c1ccccc1Cl ZINC000416842236 500135241 /nfs/dbraw/zinc/13/52/41/500135241.db2.gz MXZVOPACQGOQSL-RLFYNMQTSA-N 2 0 366.937 3.102 20 0 FGADRP CCc1ccc([C@@H](CNC(=O)N(CC[NH3+])Cc2ccccc2)[NH+](C)C)cc1 ZINC000416850283 500137599 /nfs/dbraw/zinc/13/75/99/500137599.db2.gz ZMCXLJRIGRBUCV-OAQYLSRUSA-N 2 0 368.525 3.022 20 0 FGADRP [NH3+]CCCN(CC1CCCC1)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000416874759 500144939 /nfs/dbraw/zinc/14/49/39/500144939.db2.gz PRHCQRHHMKTHQZ-UHFFFAOYSA-N 2 0 372.557 3.333 20 0 FGADRP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)N[C@H](C[NH3+])C2CCCCC2)CC1 ZINC000417677578 500146822 /nfs/dbraw/zinc/14/68/22/500146822.db2.gz GCLHTCPXVUHACN-LAUBAEHRSA-N 2 0 372.557 3.419 20 0 FGADRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000417690767 500149136 /nfs/dbraw/zinc/14/91/36/500149136.db2.gz LRPFDIWMAKDHMU-XLIONFOSSA-N 2 0 360.546 3.227 20 0 FGADRP C[C@@H]([NH2+]C1(CNC(=O)N[C@H]2CC[NH2+][C@H](C)C2)CCCC1)c1ccccc1 ZINC000417696166 500150929 /nfs/dbraw/zinc/15/09/29/500150929.db2.gz BZVSWGZCVPGMOG-LMMKCTJWSA-N 2 0 358.530 3.090 20 0 FGADRP C[C@@H]([NH2+]C1(CNC(=O)NCC2(C)CC[NH2+]CC2)CCCC1)c1ccccc1 ZINC000417695819 500151052 /nfs/dbraw/zinc/15/10/52/500151052.db2.gz BUYDEIOIDJDAHY-GOSISDBHSA-N 2 0 372.557 3.339 20 0 FGADRP CCC(CC)(CNC(=O)N1CCC[C@@H]([NH2+]C)C1)[NH2+][C@H](C)c1ccccc1 ZINC000417697364 500151298 /nfs/dbraw/zinc/15/12/98/500151298.db2.gz DQEHBSXLBSENKU-IEBWSBKVSA-N 2 0 360.546 3.289 20 0 FGADRP CCC(CC)(CNC(=O)N1CCC[C@H]1C[NH2+]C)[NH2+][C@H](C)c1ccccc1 ZINC000417697801 500151305 /nfs/dbraw/zinc/15/13/05/500151305.db2.gz FMGJHOQRGCEXHK-MJGOQNOKSA-N 2 0 360.546 3.289 20 0 FGADRP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)N[C@H](C[NH3+])C2CCCC2)CC1 ZINC000417698274 500151650 /nfs/dbraw/zinc/15/16/50/500151650.db2.gz XGYTVFSLPJZXSZ-OXJNMPFZSA-N 2 0 358.530 3.029 20 0 FGADRP C[C@@H]([NH2+]CCN1CCC([NH+](C)C)CC1)c1csc(-c2ccccc2)n1 ZINC000414093988 500151976 /nfs/dbraw/zinc/15/19/76/500151976.db2.gz FZDYBQNUJNSWDI-MRXNPFEDSA-N 2 0 358.555 3.487 20 0 FGADRP CCCN(C(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1)C1CC[NH2+]CC1 ZINC000417699721 500152077 /nfs/dbraw/zinc/15/20/77/500152077.db2.gz HYCLGNHCIWNHQX-KRWDZBQOSA-N 2 0 360.546 3.289 20 0 FGADRP CC(C)c1ccc([C@@H]([NH3+])CNC(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)cc1 ZINC000417702895 500152274 /nfs/dbraw/zinc/15/22/74/500152274.db2.gz JEOLDPDOYQXRIN-QUCCMNQESA-N 2 0 358.530 3.126 20 0 FGADRP COc1ccc([C@@H]([NH2+]Cc2ccnc(OCC[NH+](C)C)c2)C2CC2)c(F)c1 ZINC000421829631 500161323 /nfs/dbraw/zinc/16/13/23/500161323.db2.gz ADUAIAVYUDAKDV-NRFANRHFSA-N 2 0 373.472 3.411 20 0 FGADRP COc1ccc([C@H]([NH2+]CCN2CC[N@H+](C)C(C)(C)C2)C(C)C)c(F)c1 ZINC000421850230 500163152 /nfs/dbraw/zinc/16/31/52/500163152.db2.gz DDUJEQXJDOUVGN-LJQANCHMSA-N 2 0 351.510 3.147 20 0 FGADRP COC1([C@H](C)[NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)CCOCC1 ZINC000421867959 500166075 /nfs/dbraw/zinc/16/60/75/500166075.db2.gz PTWBJWRMFCWTPW-FYZZASKESA-N 2 0 358.526 3.071 20 0 FGADRP CCCN(C(=O)NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1)[C@H]1CC[NH2+]C1 ZINC000416970975 500170733 /nfs/dbraw/zinc/17/07/33/500170733.db2.gz ONEACTANZWEXRE-NQIIRXRSSA-N 2 0 372.557 3.202 20 0 FGADRP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)N(C)CC(C)(C)C[NH3+] ZINC000416976669 500172650 /nfs/dbraw/zinc/17/26/50/500172650.db2.gz OTXACJVUXHHKFK-KRWDZBQOSA-N 2 0 360.546 3.187 20 0 FGADRP CC1CC[NH+](Cc2ccc(CNC(=O)N3CCC[C@@H](CC[NH3+])C3)cc2)CC1 ZINC000416979373 500174065 /nfs/dbraw/zinc/17/40/65/500174065.db2.gz SFSDZFHAKQHQDE-FQEVSTJZSA-N 2 0 372.557 3.189 20 0 FGADRP C[NH2+][C@@H]1CCCN(C(=O)NCc2ccc(C[NH+]3C[C@H](C)C[C@@H](C)C3)cc2)C1 ZINC000416983945 500174897 /nfs/dbraw/zinc/17/48/97/500174897.db2.gz GJTZTCVTGLQGLL-DBXWQHBBSA-N 2 0 372.557 3.058 20 0 FGADRP C[C@H](CCCC[NH3+])NC(=O)NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000416984257 500174974 /nfs/dbraw/zinc/17/49/74/500174974.db2.gz XZSFWJXBJKAPAJ-QZTJIDSGSA-N 2 0 360.546 3.378 20 0 FGADRP [NH3+]CCC[C@H](NC(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1)c1ccccc1 ZINC000417802387 500174992 /nfs/dbraw/zinc/17/49/92/500174992.db2.gz WYAJEGNTWNFPTH-PMACEKPBSA-N 2 0 358.530 3.030 20 0 FGADRP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000416984989 500175418 /nfs/dbraw/zinc/17/54/18/500175418.db2.gz YHOQYYPWBRAHGN-OALUTQOASA-N 2 0 372.557 3.250 20 0 FGADRP C[NH2+]C[C@H]1CCCN1C(=O)NCc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000416997945 500179699 /nfs/dbraw/zinc/17/96/99/500179699.db2.gz WLRQLUURIQTVFA-LVCYWYKZSA-N 2 0 372.557 3.058 20 0 FGADRP C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)N(C)C2CC[NH2+]CC2)C1 ZINC000417001529 500181218 /nfs/dbraw/zinc/18/12/18/500181218.db2.gz MVZSZRGIUHRLLL-ROUUACIJSA-N 2 0 372.557 3.058 20 0 FGADRP C[C@@H]1C[C@@H](NC(=O)N[C@@H](C[NH3+])C2CCCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000417835739 500181305 /nfs/dbraw/zinc/18/13/05/500181305.db2.gz LDHMYGSWROQHAY-QMMLZNLJSA-N 2 0 372.557 3.246 20 0 FGADRP [NH2+]=C1Nc2nc3ccccc3n2[C@@]2(CC[N@H+](Cc3ccccc3)C3(CC3)C2)N1 ZINC000582301383 506181183 /nfs/dbraw/zinc/18/11/83/506181183.db2.gz DFIQYPYEIVPSMR-JOCHJYFZSA-N 2 0 372.476 3.468 20 0 FGADRP CC(C)C[C@H](CNC(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1)[NH2+][C@@H](C)c1ccccc1 ZINC000417876336 500190016 /nfs/dbraw/zinc/19/00/16/500190016.db2.gz OYYFOAYDJPGUJW-FYZZASKESA-N 2 0 372.557 3.003 20 0 FGADRP CCCC[N@H+](CC)Cc1cccc(CNC(=O)N[C@H](C)[C@H]2CCC[NH2+]C2)c1 ZINC000417881815 500190771 /nfs/dbraw/zinc/19/07/71/500190771.db2.gz RJDMRPJPULENAR-NQIIRXRSSA-N 2 0 374.573 3.496 20 0 FGADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N[C@@H](CCC[NH3+])c2ccccc2)C1 ZINC000417918763 500197789 /nfs/dbraw/zinc/19/77/89/500197789.db2.gz YJOHCXKEWGUUJJ-QUCCMNQESA-N 2 0 360.546 3.134 20 0 FGADRP CCCN(C(=O)NCC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)[C@@H]1CC[NH2+]C1 ZINC000417930876 500199907 /nfs/dbraw/zinc/19/99/07/500199907.db2.gz VCRNMLFIOXYKAS-HMXCVIKNSA-N 2 0 372.557 3.071 20 0 FGADRP C[C@H](NC(=O)N[C@@H](CCC[NH3+])c1ccccc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000417989790 500210586 /nfs/dbraw/zinc/21/05/86/500210586.db2.gz JSGCYXFEAAASHM-CUWPLCDZSA-N 2 0 372.557 3.419 20 0 FGADRP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)NC[C@]1(C)CCC[NH+]1Cc1ccccc1 ZINC000430217716 500210783 /nfs/dbraw/zinc/21/07/83/500210783.db2.gz LGYFTEVWYTUJIX-IRLDBZIGSA-N 2 0 372.557 3.024 20 0 FGADRP CC(C)[N@@H+]1CCCN(C(=O)NC[C@]2(C)CCC[NH+]2Cc2ccccc2)CC1 ZINC000430244199 500214240 /nfs/dbraw/zinc/21/42/40/500214240.db2.gz WFSYLTXKVRPWBZ-QFIPXVFZSA-N 2 0 372.557 3.167 20 0 FGADRP [NH3+]CCc1ccccc1C(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000582308692 506182783 /nfs/dbraw/zinc/18/27/83/506182783.db2.gz SYVDGKPIQXNQAU-HXUWFJFHSA-N 2 0 371.912 3.408 20 0 FGADRP C[C@@H]([NH3+])c1ccc(CNC(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000418105981 500230598 /nfs/dbraw/zinc/23/05/98/500230598.db2.gz MHMLHOULZMCWSR-YLJYHZDGSA-N 2 0 366.509 3.028 20 0 FGADRP CC[NH+]1CCN(c2ccccc2C[NH2+][C@H]2COCc3ccccc32)CC1 ZINC000418106769 500230692 /nfs/dbraw/zinc/23/06/92/500230692.db2.gz NUAHBJCDFDXFLM-NRFANRHFSA-N 2 0 351.494 3.190 20 0 FGADRP C[C@@H](CC[NH+](C)C)NC(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000426134225 500239842 /nfs/dbraw/zinc/23/98/42/500239842.db2.gz SHELQQBNHFSQKO-KRWDZBQOSA-N 2 0 362.518 3.013 20 0 FGADRP Cc1ccccc1[C@H]([C@@H](C)NC(=O)N(CC[NH3+])Cc1ccccc1)[NH+](C)C ZINC000418175993 500242827 /nfs/dbraw/zinc/24/28/27/500242827.db2.gz GNSKZJUJONQUIM-NQIIRXRSSA-N 2 0 368.525 3.157 20 0 FGADRP C[NH2+]CCC1CCN(C(=O)N[C@@H](C)[C@H](c2ccccc2C)[NH+](C)C)CC1 ZINC000418182721 500244394 /nfs/dbraw/zinc/24/43/94/500244394.db2.gz NGGRUTCXEWIKBG-FXAWDEMLSA-N 2 0 360.546 3.017 20 0 FGADRP CC(C)Cc1ccc([C@@H](CNC(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)[NH+](C)C)cc1 ZINC000418188996 500245745 /nfs/dbraw/zinc/24/57/45/500245745.db2.gz GXZTYCJVUVYLQW-QHAWAJNXSA-N 2 0 372.557 3.024 20 0 FGADRP CSc1ccc([C@@H](CNC(=O)N(C)CC[C@H]([NH3+])C(C)C)[NH+](C)C)cc1 ZINC000418229263 500253344 /nfs/dbraw/zinc/25/33/44/500253344.db2.gz GONHFGFABQHDKQ-ZWKOTPCHSA-N 2 0 366.575 3.026 20 0 FGADRP C[C@H](CCCC[NH3+])NC(=O)NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000418233516 500253813 /nfs/dbraw/zinc/25/38/13/500253813.db2.gz ISFXEAZSWPJCAC-UYAOXDASSA-N 2 0 360.546 3.105 20 0 FGADRP CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)N1CCCC[C@H]1[C@H]1CCC[NH2+]C1 ZINC000418233571 500253863 /nfs/dbraw/zinc/25/38/63/500253863.db2.gz GUULIVDKKQWAFW-UFYCRDLUSA-N 2 0 364.578 3.061 20 0 FGADRP CC[NH2+]CC1CC[NH+]([C@@H](C)C(=O)N(C)Cc2c(F)cccc2Cl)CC1 ZINC000430581580 500257631 /nfs/dbraw/zinc/25/76/31/500257631.db2.gz ULVFVAGHGSPQCC-AWEZNQCLSA-N 2 0 369.912 3.148 20 0 FGADRP CC[NH2+]CC1CC[NH+]([C@H](C)C(=O)N(C)Cc2c(F)cccc2Cl)CC1 ZINC000430581581 500257919 /nfs/dbraw/zinc/25/79/19/500257919.db2.gz ULVFVAGHGSPQCC-CQSZACIVSA-N 2 0 369.912 3.148 20 0 FGADRP CC(C)c1ccc([C@@H]([NH3+])CNC(=O)N(CC[NH+](C)C)Cc2ccco2)cc1 ZINC000418337966 500264603 /nfs/dbraw/zinc/26/46/03/500264603.db2.gz YNKZIQABNXRSMT-FQEVSTJZSA-N 2 0 372.513 3.176 20 0 FGADRP CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)[C@H]([NH3+])CC1CCCCC1 ZINC000570519125 506186197 /nfs/dbraw/zinc/18/61/97/506186197.db2.gz BJTYYXJDYINTRL-OAQYLSRUSA-N 2 0 372.557 3.444 20 0 FGADRP CCCN(C(=O)NC1CCC([NH3+])CC1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000418386216 500270951 /nfs/dbraw/zinc/27/09/51/500270951.db2.gz MQEIYHBKZBZKSP-CBNMVNINSA-N 2 0 372.557 3.343 20 0 FGADRP C[C@@H]1C[C@H](N(C)C(=O)N[C@H]2CCCC[C@H]2C[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000418407836 500272903 /nfs/dbraw/zinc/27/29/03/500272903.db2.gz MDCVTXZCUDKRMQ-PMXSJFBMSA-N 2 0 372.557 3.198 20 0 FGADRP COc1cc(C[N@@H+]2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)ccc1OCc1ccncc1 ZINC000422562038 500274717 /nfs/dbraw/zinc/27/47/17/500274717.db2.gz PBFILSZGJCCQDB-UWVAXJGDSA-N 2 0 369.509 3.474 20 0 FGADRP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)NC(C)(C)CC[NH3+])C1 ZINC000422587445 500278395 /nfs/dbraw/zinc/27/83/95/500278395.db2.gz DVKFWCXEZGKXJE-IAGOWNOFSA-N 2 0 360.546 3.091 20 0 FGADRP COc1ccc(CC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)c(OC)c1OC ZINC000422705242 500287549 /nfs/dbraw/zinc/28/75/49/500287549.db2.gz RCTAZOBFUDAVIH-RCCFBDPRSA-N 2 0 362.514 3.155 20 0 FGADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]C1CCN(Cc2cccc(C(F)(F)F)c2)CC1 ZINC000422705926 500287910 /nfs/dbraw/zinc/28/79/10/500287910.db2.gz DBMZBCOEHMSXGU-QAPCUYQASA-N 2 0 355.448 3.387 20 0 FGADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000422722290 500290283 /nfs/dbraw/zinc/29/02/83/500290283.db2.gz PBYKBBVLFSBXBP-CZUORRHYSA-N 2 0 352.404 3.369 20 0 FGADRP C[NH+](C)CCOc1ccc(CC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)cc1 ZINC000422733642 500291372 /nfs/dbraw/zinc/29/13/72/500291372.db2.gz BQBZTGOUXZJIQW-YPAWHYETSA-N 3 0 359.558 3.070 20 0 FGADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C[C@H](c1cccs1)N1CCOCC1 ZINC000422739641 500292332 /nfs/dbraw/zinc/29/23/32/500292332.db2.gz AKKFUMYFEONPEK-KZNAEPCWSA-N 2 0 351.560 3.022 20 0 FGADRP C[C@@H]1Cc2ccccc2N1CC[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422752931 500293989 /nfs/dbraw/zinc/29/39/89/500293989.db2.gz BMSKUPDMCLBTBE-HCLVMJGWSA-N 2 0 363.505 3.283 20 0 FGADRP O=C(c1ccccc1)N1CCC(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)CC1 ZINC000422768503 500295948 /nfs/dbraw/zinc/29/59/48/500295948.db2.gz SFNWYLOAEFNYMY-BHIFYINESA-N 2 0 369.553 3.439 20 0 FGADRP C[C@@H]1C[C@H](N(C)C(=O)N[C@H](C[NH3+])C2CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000418602957 500296017 /nfs/dbraw/zinc/29/60/17/500296017.db2.gz WFLFQBOSQSKOOQ-DUXKGJEZSA-N 2 0 372.557 3.198 20 0 FGADRP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CC1CCN(C(=O)c2ccccc2)CC1 ZINC000422772287 500296055 /nfs/dbraw/zinc/29/60/55/500296055.db2.gz WPODFTCIQYHVDF-GHTZIAJQSA-N 2 0 357.542 3.439 20 0 FGADRP COc1ccc([C@@H](Cc2ccccc2C)[NH2+][C@H](C)C2C[NH2+]C2)cc1OC ZINC000422778448 500296881 /nfs/dbraw/zinc/29/68/81/500296881.db2.gz HMBNLFYOWSYILE-OXQOHEQNSA-N 2 0 354.494 3.494 20 0 FGADRP c1sc(-c2ccccc2)nc1CC[NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000422784346 500297674 /nfs/dbraw/zinc/29/76/74/500297674.db2.gz LWGHBJYMSVPRKP-CEXWTWQISA-N 2 0 357.523 3.099 20 0 FGADRP COc1cc(CC[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)ccc1C ZINC000422790536 500297989 /nfs/dbraw/zinc/29/79/89/500297989.db2.gz UXYLIUSPPBHSRG-KNQAVFIVSA-N 2 0 352.478 3.392 20 0 FGADRP COc1cc(CC[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)ccc1C ZINC000422790535 500298069 /nfs/dbraw/zinc/29/80/69/500298069.db2.gz UXYLIUSPPBHSRG-DENIHFKCSA-N 2 0 352.478 3.392 20 0 FGADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000418636389 500299056 /nfs/dbraw/zinc/29/90/56/500299056.db2.gz IGWLCJQSHBXVGK-IBGZPJMESA-N 2 0 360.546 3.058 20 0 FGADRP C[NH+]1CCC(N(Cc2ccccc2)C(=O)NC[C@H]2[NH2+]CCCC2(C)C)CC1 ZINC000418636018 500299238 /nfs/dbraw/zinc/29/92/38/500299238.db2.gz HNRKVLBXOSRJFZ-HXUWFJFHSA-N 2 0 372.557 3.071 20 0 FGADRP [NH3+]CCC[C@H](NC(=O)N(CCC[NH3+])Cc1ccccc1)c1ccccc1 ZINC000418654017 500301766 /nfs/dbraw/zinc/30/17/66/500301766.db2.gz BHUSQCFVZSXVLD-FQEVSTJZSA-N 2 0 354.498 3.027 20 0 FGADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]CCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000422817994 500302050 /nfs/dbraw/zinc/30/20/50/500302050.db2.gz JBMWALVUYQLAEJ-YADHBBJMSA-N 3 0 359.558 3.307 20 0 FGADRP c1cc(C[NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)cc(C[NH+]2CCCCCC2)c1 ZINC000422824678 500302409 /nfs/dbraw/zinc/30/24/09/500302409.db2.gz HVJLFYSAVVFJLT-XPWALMASSA-N 3 0 371.569 3.309 20 0 FGADRP CCN(CC)[C@@H](C[NH2+][C@@H](C)c1ccc(C[NH3+])nc1C)Cc1ccccc1 ZINC000422831566 500303575 /nfs/dbraw/zinc/30/35/75/500303575.db2.gz JZCXYFCKVAWJNF-LAUBAEHRSA-N 2 0 354.542 3.452 20 0 FGADRP OC1CC[NH+](Cc2ccccc2C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)CC1 ZINC000422840513 500304075 /nfs/dbraw/zinc/30/40/75/500304075.db2.gz TVVPSJYUUIVKGU-RJGXRXQPSA-N 3 0 371.569 3.044 20 0 FGADRP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@@H]2NC1CC[NH+](C2CCCC2)CC1 ZINC000422835859 500304416 /nfs/dbraw/zinc/30/44/16/500304416.db2.gz JGCRGHRNLVAUAC-RBBKRZOGSA-N 2 0 355.526 3.239 20 0 FGADRP C[NH2+]CC1CC[NH+]([C@@H](C)C(=O)NC(c2ccccc2)c2ccccc2)CC1 ZINC000430926604 500308472 /nfs/dbraw/zinc/30/84/72/500308472.db2.gz OOPYQNNGIFJRRY-SFHVURJKSA-N 2 0 365.521 3.212 20 0 FGADRP C[C@H]([NH3+])C[C@H](C)[NH2+]CC1(c2ccc(Br)cc2)CCOCC1 ZINC000422875700 500308679 /nfs/dbraw/zinc/30/86/79/500308679.db2.gz CWTIKAVQRXCPJR-KBPBESRZSA-N 2 0 355.320 3.213 20 0 FGADRP COc1cc(OC)c(CC[NH2+][C@@H](C)C[C@@H]2CCCCC[NH2+]2)c(OC)c1 ZINC000422884267 500310525 /nfs/dbraw/zinc/31/05/25/500310525.db2.gz DQVCAVQOAQCVHT-HOTGVXAUSA-N 2 0 350.503 3.155 20 0 FGADRP COC[C@H](CCC[NH3+])[NH2+][C@@H](c1nc2ccccc2n1C)c1ccccc1 ZINC000422885905 500311112 /nfs/dbraw/zinc/31/11/12/500311112.db2.gz ZKSKOMOUVDIUDH-FXAWDEMLSA-N 2 0 352.482 3.006 20 0 FGADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]C1CCN(Cc2ccc(Br)cc2)CC1 ZINC000422890057 500311838 /nfs/dbraw/zinc/31/18/38/500311838.db2.gz HSELBRCDXKBXGB-QAPCUYQASA-N 2 0 366.347 3.131 20 0 FGADRP C[NH2+]CC1CC[NH+]([C@@H](C)C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)CC1 ZINC000430946070 500312029 /nfs/dbraw/zinc/31/20/29/500312029.db2.gz UYXZPQJZADVUND-STQMWFEESA-N 2 0 372.340 3.491 20 0 FGADRP CC[NH+](CC)CCN(Cc1cccs1)C(=O)NC[C@@H]1CCC[C@H]([NH3+])C1 ZINC000418726725 500313308 /nfs/dbraw/zinc/31/33/08/500313308.db2.gz PVSOCJGHZIAXNH-SJORKVTESA-N 2 0 366.575 3.119 20 0 FGADRP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000430965638 500314163 /nfs/dbraw/zinc/31/41/63/500314163.db2.gz LXXIIAYZJKKKDG-UHFFFAOYSA-N 2 0 352.526 3.432 20 0 FGADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+][C@@H]1CCCN(Cc2ccc(F)cc2Cl)C1 ZINC000422906775 500314554 /nfs/dbraw/zinc/31/45/54/500314554.db2.gz KIORKMYJESBENT-LSBZLQRGSA-N 2 0 353.913 3.421 20 0 FGADRP Cc1ccc(C(=O)N2CCC([NH2+][C@H](C)c3ccc(C[NH3+])nc3C)CC2)cc1 ZINC000422911701 500315246 /nfs/dbraw/zinc/31/52/46/500315246.db2.gz UHYWQXXXASBHPS-MRXNPFEDSA-N 2 0 366.509 3.113 20 0 FGADRP CCOC(=O)C1([C@H](C)[NH2+][C@@H](C)c2nc3ccccc3n2CC)CC[NH2+]CC1 ZINC000422909314 500315744 /nfs/dbraw/zinc/31/57/44/500315744.db2.gz FPNQMLKJAGLWNO-HOTGVXAUSA-N 2 0 372.513 3.028 20 0 FGADRP COc1cccc(OCCC[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000422923363 500317683 /nfs/dbraw/zinc/31/76/83/500317683.db2.gz RUKIQQIFMQVXSU-RBBKRZOGSA-N 2 0 368.477 3.310 20 0 FGADRP Cc1sc(CC[NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)nc1-c1ccccc1 ZINC000422930640 500318213 /nfs/dbraw/zinc/31/82/13/500318213.db2.gz VIMOCMRBROPXEL-GBESFXJTSA-N 2 0 371.550 3.408 20 0 FGADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CCc1cc(Cl)c2c(c1)OCCO2 ZINC000422928816 500318545 /nfs/dbraw/zinc/31/85/45/500318545.db2.gz MTUNEJQFUWGSKG-LBPRGKRZSA-N 2 0 361.873 3.167 20 0 FGADRP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCc1cc(Cl)c2c(c1)OCCO2 ZINC000422931359 500319180 /nfs/dbraw/zinc/31/91/80/500319180.db2.gz XJKRMSYNZIOBPV-RDTXWAMCSA-N 2 0 360.885 3.202 20 0 FGADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]CCc1ccc(OCc2ccccc2)cc1 ZINC000422935169 500319757 /nfs/dbraw/zinc/31/97/57/500319757.db2.gz DEMQOCQNCKZYPE-HSQYWUDLSA-N 2 0 354.494 3.150 20 0 FGADRP CCOC(=O)C1([C@@H](C)[NH2+][C@H](c2ccc(OC)cc2)C2CC2)CC[NH2+]CC1 ZINC000422939557 500320333 /nfs/dbraw/zinc/32/03/33/500320333.db2.gz MBXYKHFSFXFLES-BEFAXECRSA-N 2 0 360.498 3.057 20 0 FGADRP COc1cccc(CCC[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000422947717 500322003 /nfs/dbraw/zinc/32/20/03/500322003.db2.gz RAZQIJGZDDGXEU-IRLDBZIGSA-N 2 0 352.478 3.473 20 0 FGADRP COc1ccc(C(=O)Nc2cccc(OCC[NH2+][C@@H](C)C[C@@H](C)[NH3+])c2)cc1 ZINC000422958252 500323972 /nfs/dbraw/zinc/32/39/72/500323972.db2.gz OUYXWEJDPGLOAS-CVEARBPZSA-N 2 0 371.481 3.042 20 0 FGADRP O=C1C[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)CN1c1ccccc1Cl ZINC000422960544 500323986 /nfs/dbraw/zinc/32/39/86/500323986.db2.gz WVLBCYXYSWHGNA-CIRFHOKZSA-N 2 0 361.917 3.346 20 0 FGADRP Fc1cccc2c1OCC[C@H]2[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422968689 500325323 /nfs/dbraw/zinc/32/53/23/500325323.db2.gz RWDQRKUQMYXCJH-OPYAIIAOSA-N 2 0 354.425 3.495 20 0 FGADRP C[C@@H](C(=O)Nc1ccc(C(F)(F)F)cc1)[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000431026885 500325597 /nfs/dbraw/zinc/32/55/97/500325597.db2.gz GZMAAVYQILUTKE-ZDUSSCGKSA-N 2 0 355.404 3.108 20 0 FGADRP c1cc(COc2ccc(C[NH+]3CCC([C@H]4CC[NH2+]C4)CC3)cc2)ccn1 ZINC000576584253 506192138 /nfs/dbraw/zinc/19/21/38/506192138.db2.gz KNVNAPWFDGYMPQ-NRFANRHFSA-N 2 0 351.494 3.482 20 0 FGADRP C[C@H]([NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)[C@@H]1COc2ccccc21 ZINC000423004662 500329993 /nfs/dbraw/zinc/32/99/93/500329993.db2.gz POLLXESDAANQKA-FTFYGEEPSA-N 2 0 350.462 3.397 20 0 FGADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)[C@@H](C)[C@@H]([NH3+])c2ccccc2)C1 ZINC000431060887 500330131 /nfs/dbraw/zinc/33/01/31/500330131.db2.gz HEZPZEHFQJITEI-XWDORNJCSA-N 2 0 351.494 3.274 20 0 FGADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)cc1 ZINC000423026246 500332603 /nfs/dbraw/zinc/33/26/03/500332603.db2.gz PWLAPDPVNADUFP-YHJVDBJQSA-N 2 0 372.900 3.125 20 0 FGADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)cc1 ZINC000423026244 500332655 /nfs/dbraw/zinc/33/26/55/500332655.db2.gz PWLAPDPVNADUFP-GMVOTWDCSA-N 2 0 372.900 3.125 20 0 FGADRP Fc1ccc(CC[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c(F)c1F ZINC000423028083 500333217 /nfs/dbraw/zinc/33/32/17/500333217.db2.gz FTHQDUFGRXIGLY-JXFKEZNVSA-N 2 0 362.395 3.492 20 0 FGADRP CCN1CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000423034948 500333307 /nfs/dbraw/zinc/33/33/07/500333307.db2.gz QVHRFFXYSARMEN-QAOAHJLUSA-N 2 0 353.432 3.112 20 0 FGADRP COc1ccc(C[C@H](C)C[NH2+][C@@H](Cc2ccccc2)[C@H](C)[NH3+])cc1OC ZINC000423027692 500333340 /nfs/dbraw/zinc/33/33/40/500333340.db2.gz RTDPQFSIQRVQBN-ZWOKBUDYSA-N 2 0 356.510 3.431 20 0 FGADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000423036787 500333786 /nfs/dbraw/zinc/33/37/86/500333786.db2.gz UUQWOMIHEJSJMC-BVYCBKJFSA-N 3 0 359.558 3.044 20 0 FGADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000423036793 500333821 /nfs/dbraw/zinc/33/38/21/500333821.db2.gz UUQWOMIHEJSJMC-STZQEDGTSA-N 3 0 359.558 3.044 20 0 FGADRP Cc1ccc(Br)cc1C[NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000423057103 500337007 /nfs/dbraw/zinc/33/70/07/500337007.db2.gz GXFJKWUGLNPKAL-YESZJQIVSA-N 2 0 353.304 3.004 20 0 FGADRP CCOC(=O)C1([C@@H](C)[NH2+][C@H]2C[C@H](c3cc(F)cc(F)c3)C2)CC[NH2+]CC1 ZINC000423094167 500341176 /nfs/dbraw/zinc/34/11/76/500341176.db2.gz JRHDANZGPCVTMK-DDUZABMNSA-N 2 0 366.452 3.122 20 0 FGADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1cnn(-c2ccc(Br)cc2)c1 ZINC000423091734 500341236 /nfs/dbraw/zinc/34/12/36/500341236.db2.gz YMZQSARBGQGZML-GUYCJALGSA-N 2 0 363.303 3.113 20 0 FGADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]Cc1cnc(-c2ccc(Cl)cc2)s1 ZINC000423104350 500342412 /nfs/dbraw/zinc/34/24/12/500342412.db2.gz LXMGHXNOVWIGCA-IUIKQTSFSA-N 2 0 351.903 3.305 20 0 FGADRP C[NH+]1CCC(Oc2ccc(C[NH2+][C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)cc2)CC1 ZINC000423102636 500342775 /nfs/dbraw/zinc/34/27/75/500342775.db2.gz KIRVIGRLWOKJEV-YPAWHYETSA-N 3 0 357.542 3.170 20 0 FGADRP CCOC(=O)C1([C@@H](C)[NH2+][C@H]2CCc3sc(Cl)cc32)CC[NH2+]CC1 ZINC000423127104 500345873 /nfs/dbraw/zinc/34/58/73/500345873.db2.gz SXXHSZYIYQWDHV-YPMHNXCESA-N 2 0 356.919 3.300 20 0 FGADRP CCOC(=O)C1(C(=O)c2ccccc2)CC[NH+](C2CCC(C[NH3+])CC2)CC1 ZINC000423156464 500348989 /nfs/dbraw/zinc/34/89/89/500348989.db2.gz LBADYTHDSSTUAN-UHFFFAOYSA-N 2 0 372.509 3.032 20 0 FGADRP C[C@@H](Oc1ccc(Cl)cc1Cl)[C@H](C)[NH2+]CCCN1CC[NH2+]CC1 ZINC000423183074 500352296 /nfs/dbraw/zinc/35/22/96/500352296.db2.gz RCJBZRGEQBELDD-UONOGXRCSA-N 2 0 360.329 3.034 20 0 FGADRP FC(F)(F)c1cccc([C@H]2CCC[C@H]2[NH2+]CCCN2CC[NH2+]CC2)c1 ZINC000423195570 500354242 /nfs/dbraw/zinc/35/42/42/500354242.db2.gz ZKYCGVKSDJVNCA-QZTJIDSGSA-N 2 0 355.448 3.226 20 0 FGADRP CCC([NH3+])(CC)C[NH2+][C@@H]1CCCC[C@@H](N2C(=O)c3ccccc3C2=O)C1 ZINC000423281576 500360915 /nfs/dbraw/zinc/36/09/15/500360915.db2.gz BNVROAHQQMZUAB-HZPDHXFCSA-N 2 0 357.498 3.091 20 0 FGADRP CC(C)[C@@H]([NH3+])C[NH2+][C@H](c1cccc(Br)c1)C1CCOCC1 ZINC000423280693 500361315 /nfs/dbraw/zinc/36/13/15/500361315.db2.gz UIJGPVOUOZOUNA-IRXDYDNUSA-N 2 0 355.320 3.490 20 0 FGADRP CC[NH+](CC)Cc1cccc(CNC(=O)c2ccccc2CC[NH2+]C)c1 ZINC000423317653 500364161 /nfs/dbraw/zinc/36/41/61/500364161.db2.gz CUTYAFKVOOVBHU-UHFFFAOYSA-N 2 0 353.510 3.220 20 0 FGADRP Cc1ccccc1C[NH+]1CCC(NC(=O)[C@@H]([NH3+])CC2CCCCC2)CC1 ZINC000423332529 500364565 /nfs/dbraw/zinc/36/45/65/500364565.db2.gz NNNHNDXUSUGCDU-NRFANRHFSA-N 2 0 357.542 3.373 20 0 FGADRP COc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]Cc1ccc2c(c1)C[NH2+]C2 ZINC000423363763 500367650 /nfs/dbraw/zinc/36/76/50/500367650.db2.gz VFKGGXKBOWGMPB-CYBMUJFWSA-N 2 0 373.884 3.459 20 0 FGADRP CC(C)(C)[NH+]1CCC(N[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)c(F)c2)CC1 ZINC000423360511 500367791 /nfs/dbraw/zinc/36/77/91/500367791.db2.gz FRHGRDVEBAFTJU-VQIMIIECSA-N 2 0 351.485 3.263 20 0 FGADRP COc1cccc(C[C@H](C)[NH2+][C@@H]2CNCC[C@@H]2c2ccc(F)c(F)c2)n1 ZINC000423373289 500368003 /nfs/dbraw/zinc/36/80/03/500368003.db2.gz RUTRZRTVQPFBKN-URKNILKWSA-N 2 0 361.436 3.035 20 0 FGADRP Cc1ccc([C@H]([NH2+]C[C@@H](N2CC[NH2+]CC2)C(F)(F)F)C2CCCC2)o1 ZINC000423374544 500368028 /nfs/dbraw/zinc/36/80/28/500368028.db2.gz CIFYVXSLJGJIEO-IAGOWNOFSA-N 2 0 359.436 3.245 20 0 FGADRP C[C@H]([NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1cccc(C(F)(F)F)c1 ZINC000423392420 500369738 /nfs/dbraw/zinc/36/97/38/500369738.db2.gz QLGGCNPQMUWOMT-FZMZJTMJSA-N 2 0 369.353 3.192 20 0 FGADRP O=C(c1ccccc1Cl)N1CCC([NH2+]Cc2ccc3c(c2)C[NH2+]C3)CC1 ZINC000423395814 500370656 /nfs/dbraw/zinc/37/06/56/500370656.db2.gz RYLPXOPCYIHOMM-UHFFFAOYSA-N 2 0 369.896 3.338 20 0 FGADRP C[C@H]([NH3+])c1ccc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000423409059 500371793 /nfs/dbraw/zinc/37/17/93/500371793.db2.gz BHNLUVZRXNKTOU-WWMYMODYSA-N 2 0 351.494 3.347 20 0 FGADRP COCC1(C[NH2+][C@@H](C)c2ccc(Br)c(F)c2)CC[NH2+]CC1 ZINC000423412892 500372177 /nfs/dbraw/zinc/37/21/77/500372177.db2.gz XLXNGVHWELWXQJ-LBPRGKRZSA-N 2 0 359.283 3.255 20 0 FGADRP C[C@@H](CCC[NH3+])[NH2+][C@@H](C)c1ccc(F)c(I)c1 ZINC000423448770 500375463 /nfs/dbraw/zinc/37/54/63/500375463.db2.gz FNHCZGZJLMCZGJ-UWVGGRQHSA-N 2 0 350.219 3.208 20 0 FGADRP COc1ccc([C@H](C)[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)cc1Br ZINC000423449081 500375650 /nfs/dbraw/zinc/37/56/50/500375650.db2.gz VZWVOXMWKBQDSB-HZUKXOBISA-N 2 0 353.304 3.496 20 0 FGADRP C[C@H]([NH2+][C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)c1cc(Cl)ccc1Cl ZINC000423445058 500375657 /nfs/dbraw/zinc/37/56/57/500375657.db2.gz BMCADORQHYDKJB-LSKLOWJMSA-N 2 0 370.324 3.291 20 0 FGADRP Fc1ccc([C@@H]2CC[NH2+]C[C@@H]2CN[C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)cc1 ZINC000423473748 500377549 /nfs/dbraw/zinc/37/75/49/500377549.db2.gz NXXOSGBPDPQWJV-WHCFWRGISA-N 2 0 359.533 3.419 20 0 FGADRP CN1CC[NH2+]C[C@@H]1CN[C@H](c1ccc(Br)cc1Cl)C1CC1 ZINC000423486299 500378155 /nfs/dbraw/zinc/37/81/55/500378155.db2.gz BINNEVVEBQHATG-CJNGLKHVSA-N 2 0 372.738 3.047 20 0 FGADRP COc1cc([C@@H](C)[NH2+]C2CCC([NH+]3CCNCC3)CC2)ccc1SC ZINC000423509693 500380548 /nfs/dbraw/zinc/38/05/48/500380548.db2.gz LWVNDCKCVLRPFU-FAEJEUNOSA-N 2 0 363.571 3.284 20 0 FGADRP C[C@@H](CC(=O)N(C)c1ccccc1)[NH2+]CC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000423529897 500382910 /nfs/dbraw/zinc/38/29/10/500382910.db2.gz QLEGZBUECROABV-MBAXHRRTSA-N 2 0 355.526 3.171 20 0 FGADRP COc1ccc(C[NH+]2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)c(OC(F)F)c1 ZINC000582348121 506192921 /nfs/dbraw/zinc/19/29/21/506192921.db2.gz KUVIRAFVWWDTDU-WBVHZDCISA-N 2 0 370.440 3.015 20 0 FGADRP C[C@H](C[NH3+])C(=O)N(CC[NH+]1CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC000423750110 500398910 /nfs/dbraw/zinc/39/89/10/500398910.db2.gz SMBJAEGLUWCBMO-CYBMUJFWSA-N 2 0 358.313 3.013 20 0 FGADRP C[C@@H]([NH3+])[C@H](C)C(=O)N(CCC[NH+](C)C)Cc1ccc(Cl)c(Cl)c1 ZINC000423763006 500400306 /nfs/dbraw/zinc/40/03/06/500400306.db2.gz QSBKIQJGZSWRGD-QWHCGFSZSA-N 2 0 360.329 3.257 20 0 FGADRP C[C@H](CC(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)cc1)[C@@H]1CCC[NH2+]C1 ZINC000423775036 500401009 /nfs/dbraw/zinc/40/10/09/500401009.db2.gz OKXIRNYWGYKYQR-QGPMSJSTSA-N 2 0 351.922 3.085 20 0 FGADRP C[C@@H](CC(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)cc1)C1CC[NH2+]CC1 ZINC000423774692 500401043 /nfs/dbraw/zinc/40/10/43/500401043.db2.gz OIKOUKOXKZTCFP-KSSFIOAISA-N 2 0 351.922 3.085 20 0 FGADRP CC(C)(C(=O)NCC1CCN(c2cc[nH+]cc2)CC1)[C@H]([NH3+])c1ccccc1 ZINC000423784520 500401596 /nfs/dbraw/zinc/40/15/96/500401596.db2.gz MLUOWDWGRNDPLX-HXUWFJFHSA-N 2 0 366.509 3.140 20 0 FGADRP O=C(NCCC[NH2+]C1CCCCC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000419913431 500405876 /nfs/dbraw/zinc/40/58/76/500405876.db2.gz YZDGFVRZGXSGJP-UHFFFAOYSA-N 2 0 357.542 3.327 20 0 FGADRP CC[NH+](CC)[C@@H](C(=O)NCC1=CC[NH2+]CC1)c1cccc(C(F)(F)F)c1 ZINC000427586043 500408588 /nfs/dbraw/zinc/40/85/88/500408588.db2.gz BRNCWLMDHGHILN-QGZVFWFLSA-N 2 0 369.431 3.124 20 0 FGADRP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)[C@H]2CCCCCC[C@H]2[NH3+])CC1 ZINC000423839860 500410101 /nfs/dbraw/zinc/41/01/01/500410101.db2.gz DNGAERPANBDCKM-LSTHTHJFSA-N 2 0 358.530 3.021 20 0 FGADRP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)[C@@H]([NH3+])CC2CCCCC2)CC1 ZINC000423841898 500410495 /nfs/dbraw/zinc/41/04/95/500410495.db2.gz GKTYLVZRKLNNDP-UZLBHIALSA-N 2 0 358.530 3.021 20 0 FGADRP CC(C)[C@H](C(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1)[C@H](C)[NH3+] ZINC000423856409 500412823 /nfs/dbraw/zinc/41/28/23/500412823.db2.gz WUWGJFAOIAUCDV-ICSRJNTNSA-N 2 0 357.542 3.121 20 0 FGADRP [NH3+]CC1(C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)CCCC1 ZINC000423900487 500417094 /nfs/dbraw/zinc/41/70/94/500417094.db2.gz KDHRCCNQRWJHLT-VQTJNVASSA-N 2 0 355.526 3.019 20 0 FGADRP [NH3+]CC1(C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)CCCC1 ZINC000423900481 500417206 /nfs/dbraw/zinc/41/72/06/500417206.db2.gz KDHRCCNQRWJHLT-PMACEKPBSA-N 2 0 355.526 3.019 20 0 FGADRP CCOC(=O)c1c(C)c2ccccc2nc1C[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000420296595 500436085 /nfs/dbraw/zinc/43/60/85/500436085.db2.gz QJPHYAQKKYKIAL-HNNXBMFYSA-N 2 0 355.482 3.279 20 0 FGADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000431867496 500436277 /nfs/dbraw/zinc/43/62/77/500436277.db2.gz ZQQILZSOMCQVHR-SFTDATJTSA-N 2 0 374.573 3.448 20 0 FGADRP CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000431867490 500436290 /nfs/dbraw/zinc/43/62/90/500436290.db2.gz ZQQILZSOMCQVHR-LEWJYISDSA-N 2 0 374.573 3.448 20 0 FGADRP Brc1ccc(C2([NH2+]CC[C@@H]3CC[NH2+]C3)CCOCC2)cc1 ZINC000420298206 500436831 /nfs/dbraw/zinc/43/68/31/500436831.db2.gz HAOOMKOUMBXFAS-AWEZNQCLSA-N 2 0 353.304 3.044 20 0 FGADRP COc1ccc(-c2nc(CN(C)[C@@H]3CCC[NH2+]CC3)cs2)cc1OC ZINC000420304678 500437593 /nfs/dbraw/zinc/43/75/93/500437593.db2.gz FIXWWHUQYULGCM-MRXNPFEDSA-N 2 0 361.511 3.401 20 0 FGADRP CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000431880379 500437629 /nfs/dbraw/zinc/43/76/29/500437629.db2.gz WXPJVNJCTUWFJV-FUHWJXTLSA-N 2 0 366.594 3.495 20 0 FGADRP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CC[C@@H](CSc2ccccc2)C1 ZINC000420305322 500437720 /nfs/dbraw/zinc/43/77/20/500437720.db2.gz PLFMAMMNSXKLGC-GIVPXCGWSA-N 2 0 356.535 3.032 20 0 FGADRP C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2ccnc(-c3ccc(Br)cc3)n2)C1 ZINC000420306454 500438636 /nfs/dbraw/zinc/43/86/36/500438636.db2.gz LBBTYRGJEJVCNS-GXTWGEPZSA-N 2 0 361.287 3.075 20 0 FGADRP COc1ccc([C@H](C[NH3+])C[N@@H+]2CCC[C@@H](C(=O)c3ccc(F)cc3)C2)cc1 ZINC000420310544 500439254 /nfs/dbraw/zinc/43/92/54/500439254.db2.gz VDKVOJJWQUVEBU-RTBURBONSA-N 2 0 370.468 3.472 20 0 FGADRP O=C1[C@H]([N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)CCCN1c1ccccc1Cl ZINC000420330585 500442730 /nfs/dbraw/zinc/44/27/30/500442730.db2.gz QEZQHISFTCOWAA-GPMSIDNRSA-N 2 0 361.917 3.157 20 0 FGADRP CC[C@H](NC(=O)C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1)c1ccc(Cl)cc1 ZINC000420330637 500442823 /nfs/dbraw/zinc/44/28/23/500442823.db2.gz BAQGCZZUDKBMCU-OALUTQOASA-N 2 0 363.933 3.371 20 0 FGADRP C[C@@H](c1ccccc1Br)[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000420334882 500443721 /nfs/dbraw/zinc/44/37/21/500443721.db2.gz UNKZGKTVMZKSCA-KBPBESRZSA-N 2 0 353.304 3.197 20 0 FGADRP c1ccc(-n2nc(C[N@@H+]3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)c3c2CCC3)cc1 ZINC000420335975 500443731 /nfs/dbraw/zinc/44/37/31/500443731.db2.gz VHSSSAYPZGWFNZ-QZTJIDSGSA-N 2 0 350.510 3.183 20 0 FGADRP C[C@@H](C(=O)Nc1ccccc1C(F)(F)F)[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000420343895 500445675 /nfs/dbraw/zinc/44/56/75/500445675.db2.gz RQOQQGMRDDXGCT-BBRMVZONSA-N 2 0 369.431 3.496 20 0 FGADRP COc1ccc([C@@H](C[NH3+])C[NH+]2CCC(N3CCc4ccccc43)CC2)cc1 ZINC000420364565 500448604 /nfs/dbraw/zinc/44/86/04/500448604.db2.gz DABZXPWRWGLYDA-FQEVSTJZSA-N 2 0 365.521 3.265 20 0 FGADRP C[C@@H]1[C@H](c2ccc(Br)cc2)OCC[N@@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000420366133 500448781 /nfs/dbraw/zinc/44/87/81/500448781.db2.gz FNBASCBSCVLGBH-JKIFEVAISA-N 2 0 353.304 3.211 20 0 FGADRP C[C@@H](c1ccc(C(F)(F)F)cc1)[N@@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000420376274 500450097 /nfs/dbraw/zinc/45/00/97/500450097.db2.gz JUFUQFYBOUGSJM-BLLLJJGKSA-N 2 0 353.392 3.154 20 0 FGADRP [NH3+][C@H]1CCO[C@@H](C2CC[NH+](CCOc3ccccc3C(F)(F)F)CC2)C1 ZINC000420390445 500454184 /nfs/dbraw/zinc/45/41/84/500454184.db2.gz NKEQZZSWKBVXQE-MAUKXSAKSA-N 2 0 372.431 3.303 20 0 FGADRP C[C@H]1CC2(C[N@@H+]1Cc1nn(-c3ccccc3)c3c1CCC3)CC[NH2+]CC2 ZINC000424301148 500483151 /nfs/dbraw/zinc/48/31/51/500483151.db2.gz XFHKTDYTDLVJTI-KRWDZBQOSA-N 2 0 350.510 3.325 20 0 FGADRP CCCNC(=O)CC[NH2+][C@@H]1CCCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000428231483 500484778 /nfs/dbraw/zinc/48/47/78/500484778.db2.gz WFYSKYQVDHSCOI-QHAWAJNXSA-N 2 0 357.542 3.183 20 0 FGADRP C[C@@H]1CC2(C[N@@H+]1Cc1cn(-c3ccc(F)c(Cl)c3)nn1)CC[NH2+]CC2 ZINC000424370089 500492388 /nfs/dbraw/zinc/49/23/88/500492388.db2.gz CCYYIYHWBBIZNQ-CYBMUJFWSA-N 2 0 363.868 3.024 20 0 FGADRP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000420780810 500499307 /nfs/dbraw/zinc/49/93/07/500499307.db2.gz QMVQOXOPIRYVJL-NRFANRHFSA-N 2 0 372.557 3.298 20 0 FGADRP CC1CC[NH+](Cc2ccccc2CNC(=O)N(C)C[C@H]2CCC[N@@H+]2C)CC1 ZINC000420786023 500501028 /nfs/dbraw/zinc/50/10/28/500501028.db2.gz BIZAADBBBSAWOX-OAQYLSRUSA-N 2 0 372.557 3.154 20 0 FGADRP C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N(C)C[C@H]2CCC[NH+]2C)C1 ZINC000420792145 500502189 /nfs/dbraw/zinc/50/21/89/500502189.db2.gz HLNIWOJFDXQKJW-WIYYLYMNSA-N 2 0 372.557 3.154 20 0 FGADRP Cc1cc(C[NH3+])cc(NC(=O)N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000424435634 500505172 /nfs/dbraw/zinc/50/51/72/500505172.db2.gz LJDAVNMSDTVZCU-IBGZPJMESA-N 2 0 366.509 3.440 20 0 FGADRP COc1ccc2c(c1)[C@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)CCS2 ZINC000432428909 500515036 /nfs/dbraw/zinc/51/50/36/500515036.db2.gz OBBWOCAWUYKJPN-CRAIPNDOSA-N 2 0 350.528 3.323 20 0 FGADRP CC[NH+](CC)[C@@H](C(=O)N1CCC[C@H](C[NH3+])C1)c1cccc(C(F)(F)F)c1 ZINC000428522048 500519868 /nfs/dbraw/zinc/51/98/68/500519868.db2.gz ABVFGDBQIOQJQB-RHSMWYFYSA-N 2 0 371.447 3.286 20 0 FGADRP CC[NH+]1CCC(N2CCC[N@H+](C[C@@H]3CCc4ccccc4C3)CC2)CC1 ZINC000420977078 500545765 /nfs/dbraw/zinc/54/57/65/500545765.db2.gz HQTMBQQEVLJZSB-HXUWFJFHSA-N 2 0 355.570 3.284 20 0 FGADRP CC[N@@H+]1CCCN(C(=O)NCC2([NH2+][C@H](C)c3ccccc3)CCCC2)CC1 ZINC000428697543 500545969 /nfs/dbraw/zinc/54/59/69/500545969.db2.gz AYRQCTSCIWTHRF-LJQANCHMSA-N 2 0 372.557 3.387 20 0 FGADRP CC[NH+]1CCC(N2CCC[N@H+](Cc3ccccc3OC3CC3)CC2)CC1 ZINC000420980784 500546697 /nfs/dbraw/zinc/54/66/97/500546697.db2.gz LYNKPSNRILJWAW-UHFFFAOYSA-N 2 0 357.542 3.220 20 0 FGADRP CN(C(=O)NC1CCC(C[NH+](C)C)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000442244136 500575506 /nfs/dbraw/zinc/57/55/06/500575506.db2.gz SKQWENJRHRPFQO-CBNMVNINSA-N 2 0 372.557 3.023 20 0 FGADRP Cc1nc2ccc(C[N@H+]3CC[C@H](N4CC[NH+](C(C)C)CC4)C3)cc2s1 ZINC000576647107 506204956 /nfs/dbraw/zinc/20/49/56/506204956.db2.gz GEOIIQRKHAKBAP-SFHVURJKSA-N 2 0 358.555 3.205 20 0 FGADRP CC(C)[C@H](C(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCCCC1 ZINC000437043611 500595580 /nfs/dbraw/zinc/59/55/80/500595580.db2.gz VNCCNOQAKMGTMC-FCHUYYIVSA-N 2 0 371.569 3.477 20 0 FGADRP C[NH+](C)CC1CCN(C(=O)NCC[NH+]2CCC3(CCCCC3)CC2)CC1 ZINC000442610644 500604461 /nfs/dbraw/zinc/60/44/61/500604461.db2.gz PYMXYNNXZIDFRT-UHFFFAOYSA-N 2 0 364.578 3.016 20 0 FGADRP OCC[NH+]1CCC(C[NH2+][C@@H](Cc2ccc(F)cc2)c2ccccc2)CC1 ZINC000447532290 500618933 /nfs/dbraw/zinc/61/89/33/500618933.db2.gz VRFZZGWWSFPEMH-QFIPXVFZSA-N 2 0 356.485 3.403 20 0 FGADRP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1CCC(=O)N[C@H](c1cccs1)c1ccccc1 ZINC000442783604 500625657 /nfs/dbraw/zinc/62/56/57/500625657.db2.gz QFOSKTVCFZUPQG-GUXCAODWSA-N 2 0 357.523 3.013 20 0 FGADRP C[C@H](c1ccc(Cl)cc1)[C@H](C)N(C)C(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433116888 500629023 /nfs/dbraw/zinc/62/90/23/500629023.db2.gz NFUIIVDDZHUCNF-HOTGVXAUSA-N 2 0 365.949 3.494 20 0 FGADRP [NH3+]C1CC[NH+](CCCC(=O)Nc2ccccc2COc2ccccc2)CC1 ZINC000433146656 500635244 /nfs/dbraw/zinc/63/52/44/500635244.db2.gz AKXSGMWICNIFIQ-UHFFFAOYSA-N 2 0 367.493 3.407 20 0 FGADRP CC(C)[C@H](C[NH3+])C(=O)NCCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000433160808 500636667 /nfs/dbraw/zinc/63/66/67/500636667.db2.gz PTWRHRCOJXCORK-NRFANRHFSA-N 2 0 359.558 3.068 20 0 FGADRP C[N@@H+]1CCN(CC[NH2+][C@H]2CCCOc3cc4c(cc32)CCCC4)CC1(C)C ZINC000442868083 500637387 /nfs/dbraw/zinc/63/73/87/500637387.db2.gz BNEHZFKWAVVBOT-NRFANRHFSA-N 2 0 371.569 3.395 20 0 FGADRP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](C[C@H](O)Cc2ccc(C(F)(F)F)cc2)C1 ZINC000437575779 500662840 /nfs/dbraw/zinc/66/28/40/500662840.db2.gz BGMBAAOITOSVFS-PKOBYXMFSA-N 2 0 370.459 3.273 20 0 FGADRP C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)C[C@@H](c1ccccc1)[NH+](C)C ZINC000433298783 500665441 /nfs/dbraw/zinc/66/54/41/500665441.db2.gz ALLFHHBDGPNADM-NRFANRHFSA-N 2 0 371.500 3.409 20 0 FGADRP COc1ccc(-c2nc(C[N@@H+]3CCC[C@H](CC[NH3+])C3)cs2)c(OC)c1 ZINC000443057686 500670281 /nfs/dbraw/zinc/67/02/81/500670281.db2.gz HTVXMNWIJDGYOV-CQSZACIVSA-N 2 0 361.511 3.388 20 0 FGADRP [NH3+]CC[C@H]1CCC[N@H+](CC(=O)N[C@@H](c2ccc(F)cc2)C2CCCC2)C1 ZINC000443061679 500671236 /nfs/dbraw/zinc/67/12/36/500671236.db2.gz SDKHHXHOHCYTBD-IIBYNOLFSA-N 2 0 361.505 3.234 20 0 FGADRP [NH3+]CC[C@@H]1CCC[N@H+](Cc2nc(-c3ccc(C(F)(F)F)cc3)no2)C1 ZINC000443068434 500673428 /nfs/dbraw/zinc/67/34/28/500673428.db2.gz ICYDEVAZMQAYDN-LBPRGKRZSA-N 2 0 354.376 3.316 20 0 FGADRP C[C@H]1C[C@@H](C(=O)N(CC[NH+]2CCCC2)Cc2ccc(Cl)cc2)CC[NH2+]1 ZINC000573565498 506212744 /nfs/dbraw/zinc/21/27/44/506212744.db2.gz MUICIEUYTGJPBG-WMZOPIPTSA-N 2 0 363.933 3.153 20 0 FGADRP CC(C)[NH+]1CCC(N2CC[NH+](CCCCOc3ccccc3)CC2)CC1 ZINC000438099968 500737410 /nfs/dbraw/zinc/73/74/10/500737410.db2.gz YTIUNNUMZOEODP-UHFFFAOYSA-N 2 0 359.558 3.336 20 0 FGADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2cnn(Cc3ccc(F)cc3)c2)C1 ZINC000438094917 500737772 /nfs/dbraw/zinc/73/77/72/500737772.db2.gz HLCCLPYFUWHYBA-NRFANRHFSA-N 2 0 374.504 3.003 20 0 FGADRP CCCC[N@H+](C)CC1CCN(C(=O)NC[C@H]2[NH+](C)CCCC2(C)C)CC1 ZINC000448247282 500738251 /nfs/dbraw/zinc/73/82/51/500738251.db2.gz DISVRRYXAXOCQM-LJQANCHMSA-N 2 0 366.594 3.260 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)N[C@@H]2CC[C@H](C[NH3+])C2)C1 ZINC000570693696 506214112 /nfs/dbraw/zinc/21/41/12/506214112.db2.gz RJTADPDAZZTTJF-TWFHAPMSSA-N 2 0 372.557 3.091 20 0 FGADRP C[C@@H](NC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)c1cc2ccccc2o1 ZINC000443629890 500747097 /nfs/dbraw/zinc/74/70/97/500747097.db2.gz ITEWSRPQRSJAKW-QGZVFWFLSA-N 2 0 374.529 3.409 20 0 FGADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)N[C@H](C)C(C)(C)C[NH+](C)C)c1ccccc1 ZINC000443630386 500747398 /nfs/dbraw/zinc/74/73/98/500747398.db2.gz OACVPZVXUXUXOT-IAGOWNOFSA-N 2 0 362.562 3.391 20 0 FGADRP CCC[NH+]1CCC(N(C)C(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)CC1 ZINC000438343721 500773781 /nfs/dbraw/zinc/77/37/81/500773781.db2.gz DBWGHLOJAQULBG-FQEVSTJZSA-N 2 0 364.578 3.299 20 0 FGADRP C[NH+](C)CCC1CCN(C(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)CC1 ZINC000438348696 500774419 /nfs/dbraw/zinc/77/44/19/500774419.db2.gz YKFZQZNMEHVAJQ-FQEVSTJZSA-N 2 0 364.578 3.157 20 0 FGADRP CN(c1ccccc1C[NH2+]CCN1CCCC(C)(C)C1)C1CC[NH+](C)CC1 ZINC000444009283 500791562 /nfs/dbraw/zinc/79/15/62/500791562.db2.gz BRKGRPGVOMTGAN-UHFFFAOYSA-N 2 0 372.601 3.429 20 0 FGADRP C[C@H](C(=O)N(C)c1ccc(OCC[NH+]2CCCC2)cc1)[NH+]1CCCCCC1 ZINC000434178527 500807087 /nfs/dbraw/zinc/80/70/87/500807087.db2.gz WSKAJULCVQZAQF-LJQANCHMSA-N 2 0 373.541 3.389 20 0 FGADRP Cc1ccc2[nH]c3c(c2c1)CCC[C@@H]3[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000438835113 500824308 /nfs/dbraw/zinc/82/43/08/500824308.db2.gz KCIZMYBCCNWNQK-NRFANRHFSA-N 2 0 354.542 3.469 20 0 FGADRP CCO[C@@H]1C[C@](CO)([NH2+][C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1(C)C ZINC000438829989 500824541 /nfs/dbraw/zinc/82/45/41/500824541.db2.gz SWJBPNSIPRXERV-JWUVWSEFSA-N 2 0 360.542 3.053 20 0 FGADRP Cc1ccc2[nH]c3c(c2c1)CCC[C@H]3[NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000438834248 500824698 /nfs/dbraw/zinc/82/46/98/500824698.db2.gz ZUUKNWOIFGKSEV-OXQOHEQNSA-N 2 0 368.525 3.031 20 0 FGADRP CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000438958839 500840881 /nfs/dbraw/zinc/84/08/81/500840881.db2.gz KPVOJRVMNAONMC-QGZVFWFLSA-N 2 0 352.567 3.105 20 0 FGADRP CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000439141268 500863231 /nfs/dbraw/zinc/86/32/31/500863231.db2.gz MZKBKACGZSHWAY-DLBZAZTESA-N 2 0 366.575 3.161 20 0 FGADRP C[C@H]([NH3+])CCC(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000434690998 500880097 /nfs/dbraw/zinc/88/00/97/500880097.db2.gz MIPMIQSJTYHMGP-DHSIGJKJSA-N 2 0 371.447 3.332 20 0 FGADRP CC[NH+](CC)CC1CC[NH+](C[C@H](C)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC000449011808 500895565 /nfs/dbraw/zinc/89/55/65/500895565.db2.gz VAGNTHAQTJOZNC-KRWDZBQOSA-N 2 0 366.571 3.247 20 0 FGADRP C[C@@H](C[NH+]1CCC(CCC[NH+](C)C)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000449024895 500902048 /nfs/dbraw/zinc/90/20/48/500902048.db2.gz ACOBRTJXWQDGKI-KRWDZBQOSA-N 2 0 366.571 3.247 20 0 FGADRP C[C@H](C[NH2+]CCC[N@H+](C)C1CCCCC1)c1ccc(S(C)(=O)=O)cc1 ZINC000449061315 500914669 /nfs/dbraw/zinc/91/46/69/500914669.db2.gz IFEFLFKMXFEERJ-QGZVFWFLSA-N 2 0 366.571 3.438 20 0 FGADRP CC(C)[C@@H](C[NH2+]C1CC[NH+]([C@@H](C)Cc2ccccc2)CC1)N1CCOCC1 ZINC000449070438 500917310 /nfs/dbraw/zinc/91/73/10/500917310.db2.gz KFCMFEOYUKDDBR-NZQKXSOJSA-N 2 0 373.585 3.028 20 0 FGADRP C[C@H](C[NH2+]CCCC[NH+]1CCC(C)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000449081687 500920295 /nfs/dbraw/zinc/92/02/95/500920295.db2.gz HFGJMYSYQPOQHB-GOSISDBHSA-N 2 0 366.571 3.295 20 0 FGADRP C[C@@H](COc1ccc(Cl)c(Cl)c1)[NH2+]CCCC[NH+]1CCOCC1 ZINC000449082848 500920512 /nfs/dbraw/zinc/92/05/12/500920512.db2.gz QGONTTABDCEUNH-AWEZNQCLSA-N 2 0 361.313 3.463 20 0 FGADRP CSCC1CCC([NH2+]CCCN2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000449107913 500927465 /nfs/dbraw/zinc/92/74/65/500927465.db2.gz OZNWMYIYZICYNM-UHFFFAOYSA-N 2 0 362.587 3.105 20 0 FGADRP COCC[NH+]1CCC(NC2CC[NH+](C(C)(C)CC(C)(C)C)CC2)CC1 ZINC000449109564 500927628 /nfs/dbraw/zinc/92/76/28/500927628.db2.gz ZKCMDJQYEXFODB-UHFFFAOYSA-N 2 0 353.595 3.366 20 0 FGADRP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@@H]2CCC[C@@H](C(=O)N(C)C)C2)CC1 ZINC000449156352 500936750 /nfs/dbraw/zinc/93/67/50/500936750.db2.gz SGOHEPWGAJAWMY-SYYKKAFVSA-N 2 0 371.569 3.319 20 0 FGADRP CC[NH+]1CCN(CCC[NH2+][C@@H](C)COc2ccc(Cl)c(Cl)c2)CC1 ZINC000449220383 500951281 /nfs/dbraw/zinc/95/12/81/500951281.db2.gz PUCJOWFTWKUCKT-HNNXBMFYSA-N 2 0 374.356 3.378 20 0 FGADRP Cc1cccn2cc(COc3ccc(C[N@H+]4C[C@H](C[NH3+])C[C@@H]4C)cc3)nc12 ZINC000435375407 500962558 /nfs/dbraw/zinc/96/25/58/500962558.db2.gz UXIRBTGNXWXYOW-HKUYNNGSSA-N 2 0 364.493 3.391 20 0 FGADRP COc1cc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)ccc1OCC(F)(F)F ZINC000435376740 500962888 /nfs/dbraw/zinc/96/28/88/500962888.db2.gz UJFLWPHYUQKOTA-KKUMJFAQSA-N 2 0 358.404 3.196 20 0 FGADRP COc1cc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)ccc1OCC(F)(F)F ZINC000435376742 500962978 /nfs/dbraw/zinc/96/29/78/500962978.db2.gz UJFLWPHYUQKOTA-SOUVJXGZSA-N 2 0 358.404 3.196 20 0 FGADRP Cc1nn(-c2ccc(F)cc2F)c(C)c1C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000435380478 500963546 /nfs/dbraw/zinc/96/35/46/500963546.db2.gz NZVHMNUDRCIDMI-FNHZYXHNSA-N 2 0 360.452 3.327 20 0 FGADRP CCN(CCC[NH+]1CCCC1)C[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000449324194 500977993 /nfs/dbraw/zinc/97/79/93/500977993.db2.gz DDEUGMYJQHZSHC-QGZVFWFLSA-N 2 0 352.544 3.001 20 0 FGADRP CCCOc1c(OC)cc(CC[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1OC ZINC000449486445 501015016 /nfs/dbraw/zinc/01/50/16/501015016.db2.gz SHXLWVOEAPUOTO-MSOLQXFVSA-N 2 0 362.514 3.252 20 0 FGADRP CCC[NH+]1CCN(c2ccccc2C[NH2+][C@H]([C@H](CO)C2CC2)C2CC2)CC1 ZINC000449503960 501019428 /nfs/dbraw/zinc/01/94/28/501019428.db2.gz IOSCKZJGCLXOJQ-GGAORHGYSA-N 2 0 371.569 3.105 20 0 FGADRP CN(c1ccccc1C[N@@H+]1CC[C@@H]2C[C@@H](O)CC[C@@H]2C1)C1CC[NH+](C)CC1 ZINC000449557565 501033057 /nfs/dbraw/zinc/03/30/57/501033057.db2.gz UZNZMRBFURXMHP-KNKQGSTJSA-N 2 0 371.569 3.200 20 0 FGADRP C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)NCC3([NH+](C)C)CCC3)cc2)C1 ZINC000445859037 501042662 /nfs/dbraw/zinc/04/26/62/501042662.db2.gz HQVWXXWEXZTGBK-SFHVURJKSA-N 2 0 372.557 3.202 20 0 FGADRP CC(C)(C)OC(=O)[C@](C)(O)C[NH2+][C@@H]1CCN(C2CC2)[C@@H](c2ccccc2)C1 ZINC000602613122 506231719 /nfs/dbraw/zinc/23/17/19/506231719.db2.gz SDNKNTNYICITEH-SFGWALBWSA-N 2 0 374.525 3.037 20 0 FGADRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2sccc2Br)CC1 ZINC000449745746 501073502 /nfs/dbraw/zinc/07/35/02/501073502.db2.gz ONPOSGJPBPHQCD-UHFFFAOYSA-N 2 0 360.365 3.016 20 0 FGADRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2cccc(Br)c2F)CC1 ZINC000449745770 501074085 /nfs/dbraw/zinc/07/40/85/501074085.db2.gz ORMAEPIVNZZEGW-UHFFFAOYSA-N 2 0 372.326 3.094 20 0 FGADRP COC[C@H]1CCC[N@H+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)CC1 ZINC000449781712 501086019 /nfs/dbraw/zinc/08/60/19/501086019.db2.gz XQWVAYZAEUBMBE-IBGZPJMESA-N 2 0 359.558 3.466 20 0 FGADRP C[NH+](Cc1cc(C[N@@H+](C)[C@H]2CCOC2)cc(C(F)(F)F)c1)[C@H]1CCOC1 ZINC000450389909 501108991 /nfs/dbraw/zinc/10/89/91/501108991.db2.gz KVLXDTYHCKINFC-ROUUACIJSA-N 2 0 372.431 3.147 20 0 FGADRP C[N@@H+]1CCN(CC[NH2+]Cc2ccc(-c3c(F)cccc3F)o2)CC1(C)C ZINC000441385606 501131191 /nfs/dbraw/zinc/13/11/91/501131191.db2.gz SDACNKMSZPQOMR-UHFFFAOYSA-N 2 0 363.452 3.340 20 0 FGADRP CC(C)[C@H](COCc1ccccc1)[NH2+]C[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000446746224 501159950 /nfs/dbraw/zinc/15/99/50/501159950.db2.gz SYGWNBMRPDZGRK-FCHUYYIVSA-N 2 0 361.574 3.089 20 0 FGADRP COc1ccc([C@@H](CCn2cncn2)[NH2+]C[C@H](C)C[NH+]2CCCCC2)cc1 ZINC000446744686 501160320 /nfs/dbraw/zinc/16/03/20/501160320.db2.gz KFPURUJPKSSHAC-GHTZIAJQSA-N 2 0 371.529 3.130 20 0 FGADRP CCOC(=O)c1ccc(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)nc1 ZINC000450613128 501166207 /nfs/dbraw/zinc/16/62/07/501166207.db2.gz SPSPKXJAXONDCA-UHFFFAOYSA-N 2 0 359.514 3.346 20 0 FGADRP O=C(NCCC[NH+]1CCCCC1)C1CC[NH+](C[C@@H]2CCC(F)(F)C2)CC1 ZINC000450619989 501168214 /nfs/dbraw/zinc/16/82/14/501168214.db2.gz UXJXGHRBDALSKL-QGZVFWFLSA-N 2 0 371.516 3.126 20 0 FGADRP C[C@@H]1C[C@H](NC(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)CC[N@@H+]1C ZINC000607722327 506239582 /nfs/dbraw/zinc/23/95/82/506239582.db2.gz YMGCJFKVGVDION-YLJYHZDGSA-N 2 0 358.530 3.319 20 0 FGADRP CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000447035710 501196007 /nfs/dbraw/zinc/19/60/07/501196007.db2.gz DBBJVJXCIZIGED-AZUAARDMSA-N 2 0 364.578 3.061 20 0 FGADRP CN(CC[N@H+](C)Cc1ccccc1)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000450791556 501209778 /nfs/dbraw/zinc/20/97/78/501209778.db2.gz MJRCEXHAJFKNQQ-VXKWHMMOSA-N 2 0 352.526 3.138 20 0 FGADRP CO[C@H](C[NH2+][C@H]1CCN(Cc2ccccn2)C[C@H]1C)Cc1ccccc1 ZINC000450829219 501214637 /nfs/dbraw/zinc/21/46/37/501214637.db2.gz NSHCWFHFYAKNMR-COPCDDAFSA-N 2 0 353.510 3.139 20 0 FGADRP CCCc1ccc2[nH+]ccc(N3CC[C@H](N4CC[NH+](CC)CC4)C3)c2c1 ZINC000450315070 501231776 /nfs/dbraw/zinc/23/17/76/501231776.db2.gz DAGXZDZKDFZQNX-IBGZPJMESA-N 2 0 352.526 3.404 20 0 FGADRP Cc1cccnc1CC[NH2+]Cc1c(Cl)cccc1N1CC[NH+](C)CC1 ZINC000451214147 501252781 /nfs/dbraw/zinc/25/27/81/501252781.db2.gz HBCWTBXGZWUDGQ-UHFFFAOYSA-N 2 0 358.917 3.128 20 0 FGADRP COCCN1CCC([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)CC1 ZINC000453077058 501264033 /nfs/dbraw/zinc/26/40/33/501264033.db2.gz VYYQYZNLCGTBRO-ZLNRFVROSA-N 2 0 371.569 3.130 20 0 FGADRP C[C@@H]([NH2+]CCCC[NH+](C)C)c1ccc(F)c(I)c1 ZINC000453089574 501266541 /nfs/dbraw/zinc/26/65/41/501266541.db2.gz OFPOTXYULFKWRZ-LLVKDONJSA-N 2 0 364.246 3.423 20 0 FGADRP CC(=O)N1CCC(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)CC1 ZINC000453106005 501270148 /nfs/dbraw/zinc/27/01/48/501270148.db2.gz YCQXJUZBCREWQX-ZRBLBEILSA-N 2 0 369.553 3.278 20 0 FGADRP O=C(NCCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21)C1CCC1 ZINC000453153715 501280294 /nfs/dbraw/zinc/28/02/94/501280294.db2.gz RAFZBPABDQEPOL-BHDDXSALSA-N 2 0 369.553 3.326 20 0 FGADRP CC(C)C(=O)NCCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000453183494 501286887 /nfs/dbraw/zinc/28/68/87/501286887.db2.gz SKZFFESDHXTDFU-NJDAHSKKSA-N 2 0 357.542 3.182 20 0 FGADRP C[C@H](CNC(=O)N(CC[NH+](C)C)Cc1ccsc1)[N@@H+]1CCCC[C@H]1C ZINC000457705951 501291861 /nfs/dbraw/zinc/29/18/61/501291861.db2.gz LNQGSCNFKDQEON-IAGOWNOFSA-N 2 0 366.575 3.084 20 0 FGADRP Cc1ccccc1C[NH+]1CCC(NC(=O)C[NH2+][C@@H]2CCC23CCCC3)CC1 ZINC000451464233 501298521 /nfs/dbraw/zinc/29/85/21/501298521.db2.gz YMIDOLTUOPHBRP-OAQYLSRUSA-N 2 0 369.553 3.388 20 0 FGADRP CC(C)[NH+]1CCN(CCC[NH2+][C@@H]2C[C@@H](OCc3ccccc3)C2(C)C)CC1 ZINC000451498073 501306818 /nfs/dbraw/zinc/30/68/18/501306818.db2.gz NDQBCUMGQBINRQ-FGZHOGPDSA-N 2 0 373.585 3.376 20 0 FGADRP CO[C@@H]1COCC[C@@H]1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000453318812 501314077 /nfs/dbraw/zinc/31/40/77/501314077.db2.gz LMZZSLMJSYRUQU-ZGJYDULXSA-N 2 0 358.526 3.071 20 0 FGADRP Cc1cc(Br)c(C[NH2+]C[C@@H](C(C)C)N2CC[NH+](C)CC2)s1 ZINC000453585714 501354695 /nfs/dbraw/zinc/35/46/95/501354695.db2.gz RBOGKGYKTAIZNF-HNNXBMFYSA-N 2 0 374.392 3.181 20 0 FGADRP COC(=O)c1ccc(C[NH2+]CCCC[N@H+](C)C2CC2)c(Br)c1 ZINC000453598734 501357826 /nfs/dbraw/zinc/35/78/26/501357826.db2.gz QECOPPOGDWRZHI-UHFFFAOYSA-N 2 0 369.303 3.200 20 0 FGADRP C[NH+](C)[C@H]1CCc2cc(NC(=O)NC3CC[NH+](C4CCC4)CC3)ccc21 ZINC000455835997 501396847 /nfs/dbraw/zinc/39/68/47/501396847.db2.gz AOTOXQPRZDSPEN-FQEVSTJZSA-N 2 0 356.514 3.374 20 0 FGADRP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000455850313 501399873 /nfs/dbraw/zinc/39/98/73/501399873.db2.gz KRSVDQMUVFTNFI-MGPUTAFESA-N 2 0 358.530 3.430 20 0 FGADRP C[NH+](C)[C@H]1CCc2cc(NC(=O)NCC[N@@H+]3CCCC(C)(C)C3)ccc21 ZINC000455854638 501400874 /nfs/dbraw/zinc/40/08/74/501400874.db2.gz NGLGKLHDWCCQQG-IBGZPJMESA-N 2 0 358.530 3.479 20 0 FGADRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2ccccc2Oc2cccnc2)CC1 ZINC000451985508 501413575 /nfs/dbraw/zinc/41/35/75/501413575.db2.gz MIEXEHCTOAVCTR-UHFFFAOYSA-N 2 0 368.525 3.380 20 0 FGADRP C[NH+](C)[C@@H]1CCc2cc(NC(=O)N3CC[C@H]4[C@@H](CCC[N@@H+]4C)C3)ccc21 ZINC000455924870 501417349 /nfs/dbraw/zinc/41/73/49/501417349.db2.gz MTMYBHHPQOORRC-FFZOFVMBSA-N 2 0 356.514 3.184 20 0 FGADRP C[C@H](CNC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C)C[NH+]1CCCCC1 ZINC000455938510 501420719 /nfs/dbraw/zinc/42/07/19/501420719.db2.gz SSPCJNILCHWNME-UZLBHIALSA-N 2 0 358.530 3.479 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)[C@@H](C)C1 ZINC000455944820 501422458 /nfs/dbraw/zinc/42/24/58/501422458.db2.gz WBFLLKVGDKSTDK-RYGJVYDSSA-N 2 0 358.530 3.430 20 0 FGADRP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)NCC(C)(C)[NH2+][C@@H](C)c2ccccc2)C1 ZINC000458379592 501431577 /nfs/dbraw/zinc/43/15/77/501431577.db2.gz SUSSBXZQQYVMAZ-HKUYNNGSSA-N 2 0 360.546 3.240 20 0 FGADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC(C)(C)CCC[NH+](C)C)C1 ZINC000458380817 501431875 /nfs/dbraw/zinc/43/18/75/501431875.db2.gz PDIHZOLUHCNSAT-QGZVFWFLSA-N 2 0 354.583 3.307 20 0 FGADRP CSc1ccc([C@@H](CNC(=O)CC[C@H]2CCCC[N@@H+]2C)[NH+](C)C)cc1 ZINC000452160164 501448312 /nfs/dbraw/zinc/44/83/12/501448312.db2.gz BWYPDTBKHUIVTR-IEBWSBKVSA-N 2 0 363.571 3.392 20 0 FGADRP CC[N@H+](Cc1ccc(C(=O)N2CC[NH+](C3CC3)C[C@H](C)C2)cc1)C1CC1 ZINC000452170071 501451329 /nfs/dbraw/zinc/45/13/29/501451329.db2.gz KDKZKSRHOABTSZ-KRWDZBQOSA-N 2 0 355.526 3.227 20 0 FGADRP CCn1ccnc1[C@H](C)NC(=O)NC[C@H](c1ccc(C)o1)[NH+]1CCCC1 ZINC000454420500 501540312 /nfs/dbraw/zinc/54/03/12/501540312.db2.gz DJIUGBXYLCRFOD-JKSUJKDBSA-N 2 0 359.474 3.002 20 0 FGADRP CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000458946962 501564284 /nfs/dbraw/zinc/56/42/84/501564284.db2.gz ZXRFDEBTLKFXBU-IBGZPJMESA-N 2 0 364.578 3.157 20 0 FGADRP C[C@H]1CCN(C(=O)NCC[C@@H]2CCC[NH+](C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000459273303 501623374 /nfs/dbraw/zinc/62/33/74/501623374.db2.gz YCDLAFFLHICREO-FPOVZHCZSA-N 2 0 372.557 3.024 20 0 FGADRP C[C@H]1C[NH+](CCC2CC[NH+](Cc3cnc(C4CC4)nc3)CC2)C[C@H](C)O1 ZINC000459359413 501638861 /nfs/dbraw/zinc/63/88/61/501638861.db2.gz QLCFGDURSDYOFR-IRXDYDNUSA-N 2 0 358.530 3.065 20 0 FGADRP CC(C)(C)NC(=O)C[NH+]1CCC(C[NH2+]CCc2cccc(Cl)c2)CC1 ZINC000459423770 501651272 /nfs/dbraw/zinc/65/12/72/501651272.db2.gz JINPWHFSMQXIAB-UHFFFAOYSA-N 2 0 365.949 3.099 20 0 FGADRP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccccc2N2CCO[C@H](C)C2)C1 ZINC000459447407 501655590 /nfs/dbraw/zinc/65/55/90/501655590.db2.gz JODXQBSJCHUTKC-UXHICEINSA-N 2 0 359.558 3.369 20 0 FGADRP CC(C)(C)OC(=O)c1ccc(C[NH2+]C2CCN([C@H]3CCOC3)CC2)s1 ZINC000598985841 506262812 /nfs/dbraw/zinc/26/28/12/506262812.db2.gz AKIDWKZWFCUKHL-HNNXBMFYSA-N 2 0 366.527 3.046 20 0 FGADRP CC1CC[NH+](CCc2cccc(NC(=O)N3C[C@@H]4CC[N@H+](C)[C@@H]4C3)c2)CC1 ZINC000455061958 501680882 /nfs/dbraw/zinc/68/08/82/501680882.db2.gz QAXVZQJTGIVOSC-PZJWPPBQSA-N 2 0 370.541 3.129 20 0 FGADRP C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000459724402 501704506 /nfs/dbraw/zinc/70/45/06/501704506.db2.gz ASZWJLTVCDLRCV-SJORKVTESA-N 2 0 365.949 3.399 20 0 FGADRP COc1ccc([C@H](CO)C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3C)CC2)cc1 ZINC000459757346 501709633 /nfs/dbraw/zinc/70/96/33/501709633.db2.gz RPFOVCGFUZQQIY-ZWCUEREDSA-N 2 0 360.542 3.404 20 0 FGADRP C[NH+](C)CC1CC[NH+](CCC(=O)Nc2cccc(C(F)(F)F)c2)CC1 ZINC000485125234 501728302 /nfs/dbraw/zinc/72/83/02/501728302.db2.gz OQIYUJUWXKRCIR-UHFFFAOYSA-N 2 0 357.420 3.308 20 0 FGADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)NC2CC([NH+]3CCCCC3)C2)C1 ZINC000474173302 501729451 /nfs/dbraw/zinc/72/94/51/501729451.db2.gz GAQPSSNATFZPNY-GJHJYOIJSA-N 2 0 370.541 3.138 20 0 FGADRP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(I)c(C)c2)[C@H](C)C1 ZINC000467373660 501779886 /nfs/dbraw/zinc/77/98/86/501779886.db2.gz OOSIDGJZQXEOPN-CJNGLKHVSA-N 2 0 372.294 3.420 20 0 FGADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)c1ccc2c(c1)CC[NH2+]CC2 ZINC000474306147 501784741 /nfs/dbraw/zinc/78/47/41/501784741.db2.gz DBKGSVWSTPWKGV-UHFFFAOYSA-N 2 0 365.521 3.145 20 0 FGADRP COc1ccc2nc(C[NH2+]CCCC[NH+]3C[C@@H](C)O[C@H](C)C3)sc2c1 ZINC000474346035 501799740 /nfs/dbraw/zinc/79/97/40/501799740.db2.gz PCTJQJROSWKKDI-HUUCEWRRSA-N 2 0 363.527 3.284 20 0 FGADRP Cc1ccc([C@H](C)[N@H+](C)CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)cc1 ZINC000460382866 501810229 /nfs/dbraw/zinc/81/02/29/501810229.db2.gz VJPKKQPMZDOYGX-GHTZIAJQSA-N 2 0 353.510 3.407 20 0 FGADRP COCC[NH+]1CCC(Nc2cc(C)cc(N3CC[NH+](C(C)C)CC3)c2)CC1 ZINC000477868100 501814291 /nfs/dbraw/zinc/81/42/91/501814291.db2.gz UWRRZBLUTDOVKV-UHFFFAOYSA-N 2 0 374.573 3.048 20 0 FGADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)N[C@H]1CCC[C@@H]1c1ccccc1 ZINC000477946981 501836132 /nfs/dbraw/zinc/83/61/32/501836132.db2.gz VLBDWEYKRKAIDO-RTWAWAEBSA-N 2 0 374.573 3.238 20 0 FGADRP CN1CCO[C@@H]([C@H]([NH2+]CC2(C)CC[NH+](C)CC2)c2ccc(Cl)cc2)C1 ZINC000467630741 501836928 /nfs/dbraw/zinc/83/69/28/501836928.db2.gz SADHHAAWJXNZTC-RTBURBONSA-N 2 0 365.949 3.033 20 0 FGADRP c1ccc(C[NH+]2C[C@H]3C[N@H+](CCc4ccc5c(c4)OCCO5)C[C@H]3C2)cc1 ZINC000471012243 501890921 /nfs/dbraw/zinc/89/09/21/501890921.db2.gz NWVCKAIEIFBRAK-OYRHEFFESA-N 2 0 364.489 3.064 20 0 FGADRP C[C@H](Cc1ccccc1C(F)(F)F)[NH2+]CCCC[N@@H+]1CCC[C@H]1CO ZINC000481926730 501921615 /nfs/dbraw/zinc/92/16/15/501921615.db2.gz WPBXXRPHCGNJOX-WBVHZDCISA-N 2 0 358.448 3.463 20 0 FGADRP Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)C[NH+]1CCC(C)CC1 ZINC000474767252 501945361 /nfs/dbraw/zinc/94/53/61/501945361.db2.gz JQUWXZOSMFEVAN-UHFFFAOYSA-N 2 0 361.555 3.214 20 0 FGADRP CCC[C@H]([NH2+]C(C)C)C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000468089341 501953240 /nfs/dbraw/zinc/95/32/40/501953240.db2.gz VOWWTYIVGOVGIU-IBGZPJMESA-N 2 0 363.571 3.383 20 0 FGADRP CCC1(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CCCCC1 ZINC000460981595 501979880 /nfs/dbraw/zinc/97/98/80/501979880.db2.gz QXJQWJIYEWCWMK-UHFFFAOYSA-N 2 0 358.530 3.070 20 0 FGADRP CC[C@@H]([NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1)c1ccccc1OC ZINC000482126365 501982145 /nfs/dbraw/zinc/98/21/45/501982145.db2.gz XEYCMLBSURBHIJ-OAQYLSRUSA-N 2 0 368.525 3.343 20 0 FGADRP CC[NH+]1CCC(NC(=O)C[N@@H+]2C[C@H](c3ccccc3)[C@@H]3CCCC[C@@H]32)CC1 ZINC000485910712 501985281 /nfs/dbraw/zinc/98/52/81/501985281.db2.gz XRQWYCGKNDKLIK-BDTNDASRSA-N 2 0 369.553 3.245 20 0 FGADRP CCCN(C(=O)[C@@H]1C[NH+](C)C[C@H]1C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000486027833 502024053 /nfs/dbraw/zinc/02/40/53/502024053.db2.gz KVWMDCVJWASXMJ-HMXCVIKNSA-N 2 0 357.542 3.087 20 0 FGADRP CC(C)[NH+](CCNC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)C1)C(C)C ZINC000475020606 502024142 /nfs/dbraw/zinc/02/41/42/502024142.db2.gz YTLKFDQJZZKLLR-FQEVSTJZSA-N 2 0 360.546 3.021 20 0 FGADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)c1ccccc1C[NH+](C)C ZINC000486092225 502044484 /nfs/dbraw/zinc/04/44/84/502044484.db2.gz JHONEHBLKUSSIE-UHFFFAOYSA-N 2 0 353.510 3.472 20 0 FGADRP CCCN(CCC[NH+](C)C)C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000468428020 502056896 /nfs/dbraw/zinc/05/68/96/502056896.db2.gz QCJXAJYEDGXHDT-FQEVSTJZSA-N 2 0 360.546 3.197 20 0 FGADRP C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000478738681 502072675 /nfs/dbraw/zinc/07/26/75/502072675.db2.gz KPSDKCLQFIMDHH-GHTZIAJQSA-N 2 0 370.541 3.051 20 0 FGADRP CC(C)C[NH+]1CCC(NC(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000475137121 502075661 /nfs/dbraw/zinc/07/56/61/502075661.db2.gz JTANWJWATUOMAC-NRFANRHFSA-N 2 0 372.557 3.023 20 0 FGADRP CC(C)[C@H](CNC(=O)C[NH+]1[C@H](C)CC[C@H]1C)[N@@H+]1CCc2ccccc2C1 ZINC000468525293 502092000 /nfs/dbraw/zinc/09/20/00/502092000.db2.gz VDBDZNWYGAEITN-OPYAIIAOSA-N 2 0 357.542 3.058 20 0 FGADRP CCC[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1ccc(Cl)cc1 ZINC000482556304 502109764 /nfs/dbraw/zinc/10/97/64/502109764.db2.gz JMSMHCJBYNDNFG-AEFFLSMTSA-N 2 0 351.922 3.358 20 0 FGADRP CC[NH+](CC)[C@@H](C(=O)N1CC[C@H](C[NH+]2CCCCC2)C1)c1ccccc1 ZINC000461436968 502113424 /nfs/dbraw/zinc/11/34/24/502113424.db2.gz FMRATRFEZGEEQU-TZIWHRDSSA-N 2 0 357.542 3.404 20 0 FGADRP NC(=O)[C@H]1CCC[N@H+](CCC[NH2+][C@H]2CCCc3c4ccccc4sc32)C1 ZINC000482568550 502113598 /nfs/dbraw/zinc/11/35/98/502113598.db2.gz HFUURTMIQGOGEP-YJBOKZPZSA-N 2 0 371.550 3.456 20 0 FGADRP CO[C@H](CC[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1)C(F)(F)F ZINC000468613021 502125146 /nfs/dbraw/zinc/12/51/46/502125146.db2.gz QVLVEHWDLOPATO-GOSISDBHSA-N 2 0 373.463 3.274 20 0 FGADRP COCCOc1ccccc1CN1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000475330483 502137933 /nfs/dbraw/zinc/13/79/33/502137933.db2.gz FIESKGPLTRAMRB-SZPZYZBQSA-N 2 0 366.505 3.276 20 0 FGADRP CC[NH+](CC)[C@@H]1CCN(C(=O)[C@H](C)[NH+]2CCC(Cc3ccccc3)CC2)C1 ZINC000464965039 502159222 /nfs/dbraw/zinc/15/92/22/502159222.db2.gz UASIDNWLZHKWMN-SIKLNZKXSA-N 2 0 371.569 3.272 20 0 FGADRP CC(C)(CNC(=O)[C@@H]1CCCN1Cc1ccc(F)cc1)C[NH+]1CCCC1 ZINC000482937008 502221023 /nfs/dbraw/zinc/22/10/23/502221023.db2.gz MRNZLJUXDXYPRX-IBGZPJMESA-N 2 0 361.505 3.028 20 0 FGADRP CCN(CCC[NH+]1CCCC1)C(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000472115257 502237499 /nfs/dbraw/zinc/23/74/99/502237499.db2.gz MBFVZNJPNCKCRY-BGYRXZFFSA-N 2 0 366.594 3.262 20 0 FGADRP C[NH+]1CCN(CCC(C)(C)[NH2+]Cc2cnc(-c3ccsc3)s2)CC1 ZINC000472127492 502241629 /nfs/dbraw/zinc/24/16/29/502241629.db2.gz FGOZFZUEHFZXBY-UHFFFAOYSA-N 2 0 364.584 3.377 20 0 FGADRP C[C@H](CNC(=O)N[C@@H](C)[C@@H](c1ccccc1)[NH+](C)C)[N@@H+]1CCC[C@@H](C)C1 ZINC000479395518 502245823 /nfs/dbraw/zinc/24/58/23/502245823.db2.gz UTIFXVWPRKQQLX-XSYGEPLQSA-N 2 0 360.546 3.097 20 0 FGADRP CCCN(CC[NH+](CC)CC)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000461946413 502247369 /nfs/dbraw/zinc/24/73/69/502247369.db2.gz GSGLERPFHKTQBF-VQTJNVASSA-N 2 0 360.546 3.195 20 0 FGADRP CC[NH+](CC)CCSCC(=O)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000461968059 502257279 /nfs/dbraw/zinc/25/72/79/502257279.db2.gz GUXJUANQWQIMSB-UHFFFAOYSA-N 2 0 369.619 3.176 20 0 FGADRP CC[NH+](CC)[C@@H]1CCN(C(=O)NCC2([NH+]3CCCCC3)CCCCC2)C1 ZINC000465435554 502262020 /nfs/dbraw/zinc/26/20/20/502262020.db2.gz BFXYLRXSJQQJEB-LJQANCHMSA-N 2 0 364.578 3.301 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@H](C)CCc1ccccc1 ZINC000465435654 502262152 /nfs/dbraw/zinc/26/21/52/502262152.db2.gz BPUOMAHUPFSBMW-CTNGQTDRSA-N 2 0 374.573 3.065 20 0 FGADRP C[C@H](C[NH+]1CCCCCC1)NC(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000472195882 502265801 /nfs/dbraw/zinc/26/58/01/502265801.db2.gz VWJPWFLBMIUZNX-TZIWHRDSSA-N 2 0 372.557 3.072 20 0 FGADRP CC(C)[NH+]1CCC(C(=O)Nc2ccccc2NC2CC[NH+](C)CC2)CC1 ZINC000461999437 502267530 /nfs/dbraw/zinc/26/75/30/502267530.db2.gz GKUAKEYDMJIPJH-UHFFFAOYSA-N 2 0 358.530 3.252 20 0 FGADRP CCCC[N@H+](C)C[C@@H](C)NC(=O)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000462003255 502269734 /nfs/dbraw/zinc/26/97/34/502269734.db2.gz NXSNHASTBNBNCU-WOJBJXKFSA-N 2 0 366.594 3.260 20 0 FGADRP C[N@H+](CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)[C@@H]1CCC(C)(C)C1 ZINC000483098445 502271003 /nfs/dbraw/zinc/27/10/03/502271003.db2.gz CUCGIPSGUVVQAU-HXUWFJFHSA-N 2 0 357.542 3.409 20 0 FGADRP C[NH+](C)CCC(=O)Nc1ccc(NC(=O)C2(C[NH+](C)C)CCCCC2)cc1 ZINC000469032547 502270972 /nfs/dbraw/zinc/27/09/72/502270972.db2.gz SSOYIZHDOMPUFW-UHFFFAOYSA-N 2 0 374.529 3.027 20 0 FGADRP CC[NH+]1CCC([NH2+]C[C@@H]2CCN(c3cccc(Br)c3)C2)CC1 ZINC000462035045 502282198 /nfs/dbraw/zinc/28/21/98/502282198.db2.gz XVGFIMMKALUOND-HNNXBMFYSA-N 2 0 366.347 3.349 20 0 FGADRP CC1=CCC[C@H](C)[C@@H]1C[NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000479538330 502289696 /nfs/dbraw/zinc/28/96/96/502289696.db2.gz BRBWGYDREWUNOZ-YUXAGFNASA-N 2 0 369.553 3.466 20 0 FGADRP CC[NH+](CC)[C@H](C)CNC(=O)N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000465530086 502290969 /nfs/dbraw/zinc/29/09/69/502290969.db2.gz YREIYOVEWTWINP-RBUKOAKNSA-N 2 0 360.546 3.023 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@@H]2CC[NH+](Cc3ccccc3)C2)C[C@H]1C ZINC000472312675 502311173 /nfs/dbraw/zinc/31/11/73/502311173.db2.gz JUFTWIQVDVZEBD-GIVPXCGWSA-N 2 0 372.557 3.023 20 0 FGADRP CCCN(CC[NH+](CC)CC)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000462140184 502321420 /nfs/dbraw/zinc/32/14/20/502321420.db2.gz LNAJUYRURKZBEP-FQEVSTJZSA-N 2 0 360.546 3.024 20 0 FGADRP C[N@H+](CCCNC(=O)N[C@@H]1CC[NH+](CC2CCCC2)C1)Cc1ccccc1 ZINC000465605636 502322961 /nfs/dbraw/zinc/32/29/61/502322961.db2.gz SMPHTLHNOCADEN-OAQYLSRUSA-N 2 0 372.557 3.072 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@H](c1ccccc1)C(C)C ZINC000465620082 502327578 /nfs/dbraw/zinc/32/75/78/502327578.db2.gz UNBZDUHOTRFQHG-SFTDATJTSA-N 2 0 374.573 3.441 20 0 FGADRP Brc1ccc([C@@H]2C[N@H+](CCC3CC[NH2+]CC3)CCO2)cc1 ZINC000479683994 502343365 /nfs/dbraw/zinc/34/33/65/502343365.db2.gz AZMJNEYMHOLWOB-KRWDZBQOSA-N 2 0 353.304 3.212 20 0 FGADRP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(C[NH2+]CCC3CCCCC3)c2)C1 ZINC000483313768 502348270 /nfs/dbraw/zinc/34/82/70/502348270.db2.gz XXFUEIBMERQFPK-OAQYLSRUSA-N 2 0 357.542 3.444 20 0 FGADRP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N[C@H]2CC[NH+](CC3CCCC3)C2)C1 ZINC000465753528 502371281 /nfs/dbraw/zinc/37/12/81/502371281.db2.gz KFHBBOBQINFQKU-HKUYNNGSSA-N 2 0 364.578 3.061 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000465773091 502379757 /nfs/dbraw/zinc/37/97/57/502379757.db2.gz DGSKALFQODOSMN-OAQYLSRUSA-N 2 0 372.557 3.346 20 0 FGADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)C1CCC(C(F)(F)F)CC1 ZINC000469375325 502391211 /nfs/dbraw/zinc/39/12/11/502391211.db2.gz NZZGUNGBJOLNAH-UHFFFAOYSA-N 2 0 365.484 3.087 20 0 FGADRP Cc1ccc([C@@H](CNC(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)[NH+](C)C)cc1 ZINC000465822360 502396295 /nfs/dbraw/zinc/39/62/95/502396295.db2.gz VZOOWROLOMBKJP-LEWJYISDSA-N 2 0 372.557 3.161 20 0 FGADRP Cc1ccc([C@H](CNC(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)[NH+](C)C)cc1 ZINC000465822362 502396365 /nfs/dbraw/zinc/39/63/65/502396365.db2.gz VZOOWROLOMBKJP-RTWAWAEBSA-N 2 0 372.557 3.161 20 0 FGADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CC[C@@H](C[NH+](C)CCC)C1 ZINC000465861392 502406060 /nfs/dbraw/zinc/40/60/60/502406060.db2.gz AAPQMYFDXQOCBP-RBUKOAKNSA-N 2 0 352.567 3.014 20 0 FGADRP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N(C)CC[C@H]2CCCC[NH+]2C)C1 ZINC000465872809 502410212 /nfs/dbraw/zinc/41/02/12/502410212.db2.gz KWUNUXTYXUVXHF-RBUKOAKNSA-N 2 0 366.594 3.403 20 0 FGADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N(C)CC[C@@H]2CCCC[NH+]2C)C1 ZINC000465872803 502410656 /nfs/dbraw/zinc/41/06/56/502410656.db2.gz KWUNUXTYXUVXHF-MOPGFXCFSA-N 2 0 366.594 3.403 20 0 FGADRP CC(C)c1cc(NC[C@@H](C)[N@@H+]2CCc3sccc3C2)nc(N(C)C)[nH+]1 ZINC000462372311 502411745 /nfs/dbraw/zinc/41/17/45/502411745.db2.gz XMWRYYFOKKSWRJ-CQSZACIVSA-N 2 0 359.543 3.008 20 0 FGADRP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N[C@@H]1C[C@H](C)[NH+](C2CC2)C1 ZINC000469441306 502419476 /nfs/dbraw/zinc/41/94/76/502419476.db2.gz TUJFUAWBWZQXPD-DSKINZAPSA-N 2 0 372.557 3.067 20 0 FGADRP C[NH+](C)CCC1CCN(C(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2)CC1 ZINC000469484441 502434878 /nfs/dbraw/zinc/43/48/78/502434878.db2.gz SZWYOWWURQKAPC-OAQYLSRUSA-N 2 0 357.542 3.231 20 0 FGADRP C[NH+](C)CCc1ccc(CNC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)cc1 ZINC000469496933 502440326 /nfs/dbraw/zinc/44/03/26/502440326.db2.gz BADCHRYIPMSPBM-FQEVSTJZSA-N 2 0 357.542 3.062 20 0 FGADRP C[C@H](C[NH+]1CCCCCC1)NC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000483630167 502447774 /nfs/dbraw/zinc/44/77/74/502447774.db2.gz XBWYQKITRCMJLC-CTNGQTDRSA-N 2 0 372.557 3.167 20 0 FGADRP CC[NH+](CC)[C@@H]1CCN(C(=O)NC2CC[NH+]([C@H](C)c3ccccc3)CC2)C1 ZINC000466018557 502456268 /nfs/dbraw/zinc/45/62/68/502456268.db2.gz OQXJAYIPTXZJGU-WIYYLYMNSA-N 2 0 372.557 3.338 20 0 FGADRP C[C@@H]([NH2+]CCN1CC[NH+](Cc2ccccc2)CC1)c1ccc2c(c1)COC2 ZINC000480049942 502457785 /nfs/dbraw/zinc/45/77/85/502457785.db2.gz SNYUYLQEZSADRM-LJQANCHMSA-N 2 0 365.521 3.185 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@]2([NH+](C)C)CCC[C@H](C)C2)C[C@@H]1C ZINC000483699164 502467166 /nfs/dbraw/zinc/46/71/66/502467166.db2.gz ZBNDUNDKBTWDIL-JPLJXNOCSA-N 2 0 352.567 3.011 20 0 FGADRP C[N@H+](CCCNC(=O)NC1CC[NH+](C2CCCC2)CC1)C1CCCCC1 ZINC000483703431 502468279 /nfs/dbraw/zinc/46/82/79/502468279.db2.gz TWGFYISUZUCTKC-UHFFFAOYSA-N 2 0 364.578 3.347 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C[C@@H]1C ZINC000483716937 502473967 /nfs/dbraw/zinc/47/39/67/502473967.db2.gz UVFJUROBXDHMQX-RXVVDRJESA-N 2 0 372.557 3.297 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)NC1CC[NH+](C2CCCC2)CC1)CC(C)C ZINC000483732318 502478327 /nfs/dbraw/zinc/47/83/27/502478327.db2.gz UJYMXZHWCNOSAT-FQEVSTJZSA-N 2 0 366.594 3.449 20 0 FGADRP C[C@@H]([NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1)c1ccc(Cl)cn1 ZINC000480150944 502484473 /nfs/dbraw/zinc/48/44/73/502484473.db2.gz SOLOJMULKFKKOC-CQSZACIVSA-N 2 0 366.937 3.012 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(Nc3cc[nH+]cc3)cc2)C[C@@H]1C ZINC000469682630 502500459 /nfs/dbraw/zinc/50/04/59/502500459.db2.gz JCEOWAMEKAMSCW-JXFKEZNVSA-N 2 0 352.482 3.192 20 0 FGADRP CCC1(C[NH+]2CCN([C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)CCOCC1 ZINC000582598491 506318174 /nfs/dbraw/zinc/31/81/74/506318174.db2.gz BHFRQQUFLSYSAQ-QFIPXVFZSA-N 2 0 371.569 3.085 20 0 FGADRP CCn1nc(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)c2ccccc21 ZINC000473127677 502523024 /nfs/dbraw/zinc/52/30/24/502523024.db2.gz LLFNIUDMFGQDKI-UHFFFAOYSA-N 2 0 370.541 3.381 20 0 FGADRP C[C@@H](NC(=O)N[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)C(C)(C)C[NH+](C)C ZINC000487844293 502545179 /nfs/dbraw/zinc/54/51/79/502545179.db2.gz VDNCUOARVNTFKN-NSHGMRRFSA-N 2 0 374.573 3.173 20 0 FGADRP C[C@H](NC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000487844287 502545227 /nfs/dbraw/zinc/54/52/27/502545227.db2.gz VDNCUOARVNTFKN-CMKODMSKSA-N 2 0 374.573 3.173 20 0 FGADRP C[C@H]1C[C@H](NC(=O)NCCC[NH+]2CCCC[C@H]2C)C[N@@H+]1Cc1ccccc1 ZINC000466396947 502557782 /nfs/dbraw/zinc/55/77/82/502557782.db2.gz SAOHAPCSBRCNIO-DYXWJJEUSA-N 2 0 372.557 3.213 20 0 FGADRP CCC[C@@H]([NH2+]C(C)C)C(=O)NC[C@H](c1ccc(OC)cc1)[NH+]1CCCC1 ZINC000473296578 502562615 /nfs/dbraw/zinc/56/26/15/502562615.db2.gz ULEHDFMWAJDSSX-WOJBJXKFSA-N 2 0 361.530 3.115 20 0 FGADRP C[NH+]1CCN(Cc2ccc(C[NH2+][C@@H]3CCC[C@@H]([C@H]4CCOC4)C3)cc2)CC1 ZINC000462785227 502571112 /nfs/dbraw/zinc/57/11/12/502571112.db2.gz KPZOGEUIMKWSFT-XPWALMASSA-N 2 0 371.569 3.119 20 0 FGADRP [NH3+][C@@H]1CC[C@H]2CN(Cc3ccc(OC(F)F)c(Br)c3)C[C@@H]12 ZINC000469872119 502577588 /nfs/dbraw/zinc/57/75/88/502577588.db2.gz NWXXWPRNBUYBHX-DMDPSCGWSA-N 2 0 361.230 3.220 20 0 FGADRP Cc1nc(-c2cc([C@H](C)[NH2+]CC3(O)CC[NH+](C)CC3)cs2)cs1 ZINC000484143534 502581973 /nfs/dbraw/zinc/58/19/73/502581973.db2.gz UFFZQQMVXYGQOZ-LBPRGKRZSA-N 2 0 351.541 3.287 20 0 FGADRP c1sc(-c2ccc3c(c2)OCO3)nc1C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000582606001 506322294 /nfs/dbraw/zinc/32/22/94/506322294.db2.gz COLJMKOOVQLNFX-INIZCTEOSA-N 2 0 371.506 3.360 20 0 FGADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N1CCN(Cc2ccccc2)C[C@H]1C ZINC000476785872 502585111 /nfs/dbraw/zinc/58/51/11/502585111.db2.gz BIVSGRWWPUUECI-HSALFYBXSA-N 2 0 372.557 3.023 20 0 FGADRP CC[C@H](C(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1)[NH+](CC)CC ZINC000469902334 502591480 /nfs/dbraw/zinc/59/14/80/502591480.db2.gz QBVSDYDWYZENFD-MRXNPFEDSA-N 2 0 355.910 3.339 20 0 FGADRP C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)NCCCCC[NH+]1CCCCC1 ZINC000476825262 502595531 /nfs/dbraw/zinc/59/55/31/502595531.db2.gz WKJKUSQAVIDKMH-OALUTQOASA-N 2 0 352.567 3.062 20 0 FGADRP C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000476885277 502612542 /nfs/dbraw/zinc/61/25/42/502612542.db2.gz VJAPMRQODQAOPF-WIYYLYMNSA-N 2 0 370.541 3.051 20 0 FGADRP CC[NH+](CC)[C@@H](C(=O)Nc1ccc2c(c1)C[NH2+]CCO2)c1ccccc1 ZINC000462891668 502615803 /nfs/dbraw/zinc/61/58/03/502615803.db2.gz GWENGVFXLXELAY-HXUWFJFHSA-N 2 0 353.466 3.190 20 0 FGADRP CC(C)[C@H]1CCCC[C@@H]1[NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000484294921 502616397 /nfs/dbraw/zinc/61/63/97/502616397.db2.gz NMQHEKRALGTQNR-MOPGFXCFSA-N 2 0 351.579 3.418 20 0 FGADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000469990233 502620135 /nfs/dbraw/zinc/62/01/35/502620135.db2.gz IGWCQNUVOHKMIT-IMKFEJLOSA-N 2 0 355.526 3.171 20 0 FGADRP C[C@H]1[C@H](NC(=O)NC2CC[NH+](C(C)(C)C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000484433060 502642876 /nfs/dbraw/zinc/64/28/76/502642876.db2.gz AHQUNCVRDNCIEK-FXAWDEMLSA-N 2 0 372.557 3.212 20 0 FGADRP C[C@H](C[NH2+][C@@H](C)[C@H](c1ccccc1)N1CCOCC1)C[NH+]1CCCCC1 ZINC000480705242 502648075 /nfs/dbraw/zinc/64/80/75/502648075.db2.gz QJKJDZVQIBDNOG-RZUBCFFCSA-N 2 0 359.558 3.160 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N1CC[N@@H+](C2CCC2)C[C@@H](C)C1)CC(C)C ZINC000488211528 502659577 /nfs/dbraw/zinc/65/95/77/502659577.db2.gz ANKJHTLUMFPYNI-QUCCMNQESA-N 2 0 366.594 3.259 20 0 FGADRP CO[C@H](C)[C@@H](C)[NH2+]CCCN1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000480818852 502678924 /nfs/dbraw/zinc/67/89/24/502678924.db2.gz GNHBPRJYKIRZNQ-HZPDHXFCSA-N 2 0 373.463 3.231 20 0 FGADRP CCC[N@H+](CC)C[C@H](C)NC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000463063985 502680681 /nfs/dbraw/zinc/68/06/81/502680681.db2.gz XFGJCSFINFRHCK-VQTJNVASSA-N 2 0 366.594 3.404 20 0 FGADRP Cc1cccc(C(=O)NCC[NH2+][C@H](C)c2cccc(OCC[NH+](C)C)c2)c1 ZINC000480905182 502701854 /nfs/dbraw/zinc/70/18/54/502701854.db2.gz GZMWSGMVLCGEMU-GOSISDBHSA-N 2 0 369.509 3.016 20 0 FGADRP C[NH+]1CCN(Cc2ccc(C[NH2+][C@H]3CS[C@H](C(C)(C)C)C3)cc2)CC1 ZINC000488420491 502710321 /nfs/dbraw/zinc/71/03/21/502710321.db2.gz WIJNITZAIGQTRB-UXHICEINSA-N 2 0 361.599 3.444 20 0 FGADRP CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)N1CC[NH+](C2CCC2)CC1 ZINC000470277231 502722004 /nfs/dbraw/zinc/72/20/04/502722004.db2.gz KNWZPTRITIAPQG-OAQYLSRUSA-N 2 0 372.557 3.023 20 0 FGADRP CC[NH+](CC)CCN(Cc1ccccc1)C(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000466922236 502727579 /nfs/dbraw/zinc/72/75/79/502727579.db2.gz VTROXXRYGZDGEI-WIYYLYMNSA-N 2 0 372.557 3.023 20 0 FGADRP Fc1ccc(CC[NH+]2CCC(NC[C@H]3CCCC[N@@H+]3C3CC3)CC2)cc1 ZINC000463248381 502735120 /nfs/dbraw/zinc/73/51/20/502735120.db2.gz OUZJQYAHWRXOAD-JOCHJYFZSA-N 2 0 359.533 3.439 20 0 FGADRP C[C@@H]([NH2+]C1(CNC(=O)N(C)CC[N@H+](C)C2CC2)CCCC1)c1ccccc1 ZINC000473917225 502748835 /nfs/dbraw/zinc/74/88/35/502748835.db2.gz DKHMQBPMLNLSGD-GOSISDBHSA-N 2 0 372.557 3.386 20 0 FGADRP C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)c3ccc4c(c3)C[NH2+]C4)cc2)C1 ZINC000470369916 502753066 /nfs/dbraw/zinc/75/30/66/502753066.db2.gz RTRMAGNJPGPUNY-KRWDZBQOSA-N 2 0 363.505 3.452 20 0 FGADRP CC[C@H]1CCCC[C@H]1[NH2+]CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000481192726 502779620 /nfs/dbraw/zinc/77/96/20/502779620.db2.gz QNLRVRXAULNEIS-LEWJYISDSA-N 2 0 357.542 3.457 20 0 FGADRP C[C@@H]([NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1)C1CCC(F)(F)CC1 ZINC000474025814 502782645 /nfs/dbraw/zinc/78/26/45/502782645.db2.gz XHDIAQWSZFTZJX-QGZVFWFLSA-N 2 0 366.500 3.397 20 0 FGADRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)c1ccc2c(c1)C[NH2+]C2 ZINC000470464179 502784706 /nfs/dbraw/zinc/78/47/06/502784706.db2.gz GEFCNHKYAQKOAO-YPGOJHLTSA-N 2 0 363.505 3.176 20 0 FGADRP CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@@H]1CC[N@H+](C2CC2)[C@H]1c1cccc(OC)c1 ZINC000477487188 502786348 /nfs/dbraw/zinc/78/63/48/502786348.db2.gz JGBXTGPYTLZJGJ-YSGRDPCXSA-N 2 0 373.541 3.256 20 0 FGADRP C[NH+]1CCC(C[NH2+][C@@H]2CCCC[C@@H]2[C@@H]2CCOC2)(N2CCCCC2)CC1 ZINC000474049754 502789677 /nfs/dbraw/zinc/78/96/77/502789677.db2.gz CAPNSXHJTGOWMK-NJDAHSKKSA-N 2 0 363.590 3.122 20 0 FGADRP CC(C)[NH+](CCCNC(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1)C(C)C ZINC000470506592 502799640 /nfs/dbraw/zinc/79/96/40/502799640.db2.gz GAMGKHSAVQLFPK-GOSISDBHSA-N 2 0 354.583 3.305 20 0 FGADRP CC[NH+](CC)CCNC(=O)NCc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000500686610 502840350 /nfs/dbraw/zinc/84/03/50/502840350.db2.gz MAVUVSNSCPVLSF-KDURUIRLSA-N 2 0 374.573 3.306 20 0 FGADRP C[NH+](C)[C@@H](CNC(=O)C[NH2+][C@@H]1CCC[C@H]1c1ccccc1)c1ccccc1 ZINC000513261780 502891251 /nfs/dbraw/zinc/89/12/51/502891251.db2.gz PENBSNFHPVMXID-BDTNDASRSA-N 2 0 365.521 3.331 20 0 FGADRP CC(C)[C@@H]1CN(C(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)CC[N@@H+]1C ZINC000489347938 502934897 /nfs/dbraw/zinc/93/48/97/502934897.db2.gz LEMSEGAGEDZVFG-FQEVSTJZSA-N 2 0 357.542 3.087 20 0 FGADRP CC(C)[C@H](CNC(=O)N1CCC[C@@H]([NH+]2CCCC2)C1)[NH+]1CCC(C)CC1 ZINC000501150603 502949062 /nfs/dbraw/zinc/94/90/62/502949062.db2.gz NGWOWITWSVIKQN-UXHICEINSA-N 2 0 364.578 3.013 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)NCC[N@@H+]1CCC[C@H](C)C1)c1ccsc1 ZINC000501163489 502951722 /nfs/dbraw/zinc/95/17/22/502951722.db2.gz MQBHUCXACLUQIA-WMZOPIPTSA-N 2 0 366.575 3.162 20 0 FGADRP C[C@@H]1C[C@H](CC[NH2+]Cc2ccc(C(N)=O)cc2)C[N@@H+]1Cc1ccccc1 ZINC000513493714 502952012 /nfs/dbraw/zinc/95/20/12/502952012.db2.gz CGLMILIYUXBSGB-XLIONFOSSA-N 2 0 351.494 3.176 20 0 FGADRP CC[NH+]1CCN(c2ccccc2C[N@@H+]2CCC[C@H]2c2cc(C)no2)CC1 ZINC000509817558 502991153 /nfs/dbraw/zinc/99/11/53/502991153.db2.gz CNUMUXJTGNVYTC-FQEVSTJZSA-N 2 0 354.498 3.462 20 0 FGADRP C[NH+](C)[C@@H](CNC(=O)NC[C@H](c1ccccc1)[NH+](C)C)C1CCCCC1 ZINC000501362788 502992987 /nfs/dbraw/zinc/99/29/87/502992987.db2.gz PSRPTZLNLWTXLM-UXHICEINSA-N 2 0 360.546 3.099 20 0 FGADRP COCc1ccccc1/C=C(/C)C[NH2+]C[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000509829679 502993932 /nfs/dbraw/zinc/99/39/32/502993932.db2.gz WUWBZYAMMYNOCC-PZNLSKEWSA-N 2 0 359.558 3.098 20 0 FGADRP C[C@H](Cc1ccc(O)cc1)[NH2+]CCCN1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000509846607 502997581 /nfs/dbraw/zinc/99/75/81/502997581.db2.gz BOEXOQJKBABNGW-AUSIDOKSSA-N 2 0 367.537 3.292 20 0 FGADRP C[C@@H](Cc1ccc(O)cc1)[NH2+]CCCN1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000509846611 502997735 /nfs/dbraw/zinc/99/77/35/502997735.db2.gz BOEXOQJKBABNGW-WMZHIEFXSA-N 2 0 367.537 3.292 20 0 FGADRP C[NH+](C)CCOc1ccccc1C(=O)NCC[N@H+]1CC=C(C(C)(C)C)CC1 ZINC000505878990 503004235 /nfs/dbraw/zinc/00/42/35/503004235.db2.gz BRTGOPUEZSWLRH-UHFFFAOYSA-N 2 0 373.541 3.035 20 0 FGADRP C[C@H]1C[C@H](C)CN(C(=O)C[NH+]2CCC(C[N@H+](C)Cc3ccccc3)CC2)C1 ZINC000489650170 503004540 /nfs/dbraw/zinc/00/45/40/503004540.db2.gz PXHVMZGCZIDPDE-PMACEKPBSA-N 2 0 371.569 3.335 20 0 FGADRP C[N@@H+]1CC[C@H]([NH2+]CCCC[NH+]2CCN(c3ccccc3)CC2)[C@@H]2CCC[C@H]21 ZINC000513713834 503007434 /nfs/dbraw/zinc/00/74/34/503007434.db2.gz UQWDBYJZEPUOGU-RJGXRXQPSA-N 3 0 370.585 3.051 20 0 FGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+][C@H](C)COC(C)C)CC1 ZINC000501473830 503016318 /nfs/dbraw/zinc/01/63/18/503016318.db2.gz HRRWSXALXBQARM-IAGOWNOFSA-N 2 0 351.510 3.432 20 0 FGADRP COc1ccc([C@H](CN[C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)[NH+]2CCCC2)cc1 ZINC000513760205 503018025 /nfs/dbraw/zinc/01/80/25/503018025.db2.gz ILWAKTFCJHZHDB-LRSLUSHPSA-N 2 0 357.542 3.295 20 0 FGADRP Fc1ccccc1SCC[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000513818593 503029700 /nfs/dbraw/zinc/02/97/00/503029700.db2.gz GMTNKOMSBSJREE-UHFFFAOYSA-N 2 0 352.519 3.352 20 0 FGADRP COc1ccc(F)cc1C[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000506031475 503032603 /nfs/dbraw/zinc/03/26/03/503032603.db2.gz LMFZXLJLEUARIM-UHFFFAOYSA-N 2 0 350.478 3.159 20 0 FGADRP C[NH+](C)CCN(CCCc1ccccc1)C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000489811554 503041120 /nfs/dbraw/zinc/04/11/20/503041120.db2.gz QFINFXBVSAVWCZ-RTWAWAEBSA-N 2 0 374.573 3.065 20 0 FGADRP CC[NH+](CC)CCCNC(=O)C1CC[NH+](C[C@H]2CCCC(F)(F)C2)CC1 ZINC000513897549 503043776 /nfs/dbraw/zinc/04/37/76/503043776.db2.gz SKYJDIIZDGGQOH-KRWDZBQOSA-N 2 0 373.532 3.372 20 0 FGADRP CC(C)[N@@H+]1CCCN(C(=O)N[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000489836885 503045563 /nfs/dbraw/zinc/04/55/63/503045563.db2.gz BOGAVVIJLKXASA-TZIWHRDSSA-N 2 0 372.557 3.023 20 0 FGADRP Cc1ccccc1[C@H]([C@H](C)NC(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1)[NH+](C)C ZINC000497835708 503051762 /nfs/dbraw/zinc/05/17/62/503051762.db2.gz KEEDKSPZOZTHNG-UEXGIBASSA-N 2 0 372.557 3.302 20 0 FGADRP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCCC[NH+](C)Cc2ccccc2)C1 ZINC000514010489 503068271 /nfs/dbraw/zinc/06/82/71/503068271.db2.gz AQDNZKIPAKPACW-IBGZPJMESA-N 2 0 374.573 3.318 20 0 FGADRP CC[NH+](CC)Cc1ccccc1CNC(=O)N[C@@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000514023285 503070843 /nfs/dbraw/zinc/07/08/43/503070843.db2.gz VZGWIOXEYAVFQJ-MOPGFXCFSA-N 2 0 374.573 3.448 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)NCCC[NH+]1CCC(C)CC1)c1ccco1 ZINC000514030366 503072346 /nfs/dbraw/zinc/07/23/46/503072346.db2.gz FDKAQUVZUUHCKB-GOSISDBHSA-N 2 0 364.534 3.084 20 0 FGADRP C[C@H](NC(=O)[C@H](C)[N@H+]1[C@H](C)CC[C@@H]1C)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000497965937 503075850 /nfs/dbraw/zinc/07/58/50/503075850.db2.gz WHNHRTVTZRHJKH-FIRLOTFOSA-N 2 0 357.542 3.275 20 0 FGADRP CC(C)C[NH+]1CCC(NC(=O)NCC(C)(C)[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000514053610 503076114 /nfs/dbraw/zinc/07/61/14/503076114.db2.gz XMQZDKYNGQXBGV-ROUUACIJSA-N 2 0 366.594 3.163 20 0 FGADRP C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@H]1C)[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000501773244 503077654 /nfs/dbraw/zinc/07/76/54/503077654.db2.gz HXDKAPRXRXLTGT-XSYGEPLQSA-N 2 0 351.579 3.370 20 0 FGADRP COCC[N@H+](C)CCCC1CC[NH+](CCc2ccc3c(c2)CCO3)CC1 ZINC000501788025 503080225 /nfs/dbraw/zinc/08/02/25/503080225.db2.gz CFKIIASTGVQPQY-UHFFFAOYSA-N 2 0 360.542 3.234 20 0 FGADRP C[C@H]1CCCC[N@@H+]1CCCNC(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000501846880 503093029 /nfs/dbraw/zinc/09/30/29/503093029.db2.gz AZHPHKYHROTULX-PZJWPPBQSA-N 2 0 372.557 3.387 20 0 FGADRP CCC[NH+]1CCC(CNC(=O)NCCCC[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000514126128 503094466 /nfs/dbraw/zinc/09/44/66/503094466.db2.gz DJQBCNYQNUXUMP-OALUTQOASA-N 2 0 366.594 3.166 20 0 FGADRP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)NCC[N@H+](C)Cc2ccccc2)C1 ZINC000514127775 503094534 /nfs/dbraw/zinc/09/45/34/503094534.db2.gz YYUMTGOLWPVVFH-WOJBJXKFSA-N 2 0 374.573 3.176 20 0 FGADRP C[C@@H](CCNC(=O)N[C@@H](C)[C@H](c1ccccc1)[NH+](C)C)[NH+]1CCCCC1 ZINC000501937404 503111557 /nfs/dbraw/zinc/11/15/57/503111557.db2.gz ICDJEOOCLDAGFK-CMKODMSKSA-N 2 0 360.546 3.242 20 0 FGADRP C[C@@H](NC(=O)NCC1(C[NH+](C)C)CCCC1)[C@H](c1ccccc1)[NH+](C)C ZINC000501955583 503115832 /nfs/dbraw/zinc/11/58/32/503115832.db2.gz JIBLPFODSNIMQQ-IEBWSBKVSA-N 2 0 360.546 3.099 20 0 FGADRP C[C@H](O)C[NH+]1CCC(C[N@H+](C)CCOc2cccc(C(C)(C)C)c2)CC1 ZINC000506448744 503116184 /nfs/dbraw/zinc/11/61/84/503116184.db2.gz UTKPTRBFDILELB-SFHVURJKSA-N 2 0 362.558 3.388 20 0 FGADRP Cc1cccc2nc(CN3CCC[C@@H](C[N@H+]4CCCC[C@H]4C)C3)cc(=O)n12 ZINC000506473309 503122305 /nfs/dbraw/zinc/12/23/05/503122305.db2.gz XTPNCDPYCFXBEF-IEBWSBKVSA-N 2 0 368.525 3.089 20 0 FGADRP CC[NH+](CC)CC1CCN(C(=O)NCc2ccc(C[NH+](C)C)cc2)CC1 ZINC000514453302 503129601 /nfs/dbraw/zinc/12/96/01/503129601.db2.gz HRCYRSIPMVRPTD-UHFFFAOYSA-N 2 0 360.546 3.012 20 0 FGADRP Cc1ccccc1[C@@H]([C@H](C)NC(=O)c1cccc(C[NH+](C)C)c1)[NH+](C)C ZINC000510521247 503131921 /nfs/dbraw/zinc/13/19/21/503131921.db2.gz IAVFAIXFRLRBFZ-LAUBAEHRSA-N 2 0 353.510 3.478 20 0 FGADRP CC[N@@H+]1C[C@H](C)N(C(=O)N[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C)C[C@@H]1C ZINC000498264016 503145916 /nfs/dbraw/zinc/14/59/16/503145916.db2.gz GMHNDNJTJIDJRB-VNYTWHDVSA-N 2 0 372.557 3.021 20 0 FGADRP Cc1ccc2nc(C)c(C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)cc2c1 ZINC000498330725 503159323 /nfs/dbraw/zinc/15/93/23/503159323.db2.gz UXQZQFITJZBCEH-UHFFFAOYSA-N 2 0 370.541 3.197 20 0 FGADRP CC[NH+](CC)CC1CC[NH+](Cc2ccccc2N2CC[NH+](CC)CC2)CC1 ZINC000506883946 503189718 /nfs/dbraw/zinc/18/97/18/503189718.db2.gz IKERBSUTJRXJFE-UHFFFAOYSA-N 3 0 372.601 3.382 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+]Cc2cnnn2Cc2ccccc2)C1 ZINC000490553493 503194785 /nfs/dbraw/zinc/19/47/85/503194785.db2.gz BHUZMLAHBDAYFQ-KDURUIRLSA-N 2 0 355.530 3.174 20 0 FGADRP C[C@H]([NH3+])C1CCN(C(=O)NC[C@H]2CCCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000514824270 503202404 /nfs/dbraw/zinc/20/24/04/503202404.db2.gz AFXUHLFFTWKTCE-AZUAARDMSA-N 2 0 372.557 3.058 20 0 FGADRP C[NH+](C)[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1Cc1ccccc1)c1cccc(F)c1 ZINC000498597160 503223718 /nfs/dbraw/zinc/22/37/18/503223718.db2.gz DHIBBQNLZCFYQO-RTWAWAEBSA-N 2 0 369.484 3.209 20 0 FGADRP C[C@H](C(=O)N[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCCCCC1 ZINC000490812346 503230980 /nfs/dbraw/zinc/23/09/80/503230980.db2.gz KLGOPGBVWCXYEW-QKNQBKEWSA-N 2 0 357.542 3.278 20 0 FGADRP Cc1c2cccc(C)c2oc1C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000502583123 503232111 /nfs/dbraw/zinc/23/21/11/503232111.db2.gz ZZQITDJGFZFHCQ-UHFFFAOYSA-N 2 0 359.514 3.395 20 0 FGADRP Cc1nc(C(C)(C)C)sc1C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000502600024 503236187 /nfs/dbraw/zinc/23/61/87/503236187.db2.gz GXYBUDJRQLOXDM-UHFFFAOYSA-N 2 0 368.591 3.095 20 0 FGADRP CC[C@H]([NH2+]Cc1ccncc1OCC[NH+](C)C)c1ccc2c(c1)OCCO2 ZINC000515012951 503250459 /nfs/dbraw/zinc/25/04/59/503250459.db2.gz FAPUOGDRYFHLCX-SFHVURJKSA-N 2 0 371.481 3.034 20 0 FGADRP Cc1cccc(C)c1OC[C@H](O)CN1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000498860025 503276975 /nfs/dbraw/zinc/27/69/75/503276975.db2.gz YOJXTVASCYAGMI-FGZHOGPDSA-N 2 0 374.569 3.487 20 0 FGADRP CN1CCC[C@H](C[NH2+][C@@H]2CCC[C@H](S(C)(=O)=O)C2)[C@H]1c1cccs1 ZINC000511245126 503286027 /nfs/dbraw/zinc/28/60/27/503286027.db2.gz ZIWPFZZBMCSKTC-CBZIJGRNSA-N 2 0 370.584 3.076 20 0 FGADRP CC(C)[NH+](CCNC(=O)NCCCC[NH+]1C[C@@H](C)C[C@H](C)C1)C(C)C ZINC000502846191 503287031 /nfs/dbraw/zinc/28/70/31/503287031.db2.gz NVGLPSGRZSWFKI-OALUTQOASA-N 2 0 354.583 3.163 20 0 FGADRP COC(=O)c1ccc(C[N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)[nH]1 ZINC000582681920 506362576 /nfs/dbraw/zinc/36/25/76/506362576.db2.gz RSTIJDSOXDWTBV-UHFFFAOYSA-N 2 0 367.493 3.289 20 0 FGADRP CC(C)(C)NC(=O)C[NH+]1CCC(C[NH2+]Cc2ccc3c(c2)CCCC3)CC1 ZINC000491299061 503294761 /nfs/dbraw/zinc/29/47/61/503294761.db2.gz SAFJZILANJSCAE-UHFFFAOYSA-N 2 0 371.569 3.282 20 0 FGADRP C[C@@H](NC(=O)NCc1cccc(C[NH+]2CCCCCC2)c1)[C@H]1CCC[NH2+]C1 ZINC000515221431 503296396 /nfs/dbraw/zinc/29/63/96/503296396.db2.gz RIQSKKSIRKEIEH-NQIIRXRSSA-N 2 0 372.557 3.250 20 0 FGADRP CC[C@H](C)[NH2+][C@H](CNC(=O)NC[C@H]1CCCC[N@@H+]1C1CC1)c1ccco1 ZINC000502899927 503303229 /nfs/dbraw/zinc/30/32/29/503303229.db2.gz QESVJINPIRAVCA-CGTJXYLNSA-N 2 0 362.518 3.025 20 0 FGADRP C[C@H](c1nc(-c2ccccc2)no1)[NH+]1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000515342891 503319349 /nfs/dbraw/zinc/31/93/49/503319349.db2.gz KLRKLCCCYXBSSS-ZTFGCOKTSA-N 2 0 356.470 3.016 20 0 FGADRP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](Cc2cccc3cc[nH]c32)CC1 ZINC000511667933 503365661 /nfs/dbraw/zinc/36/56/61/503365661.db2.gz QIUCOAIGSZHDRP-UHFFFAOYSA-N 2 0 370.541 3.084 20 0 FGADRP CC[N@H+](Cc1ccc(C(=O)NC2CC[NH+](CC3CC3)CC2)cc1)C1CC1 ZINC000511782931 503386343 /nfs/dbraw/zinc/38/63/43/503386343.db2.gz AVLOMZSSKJAMDM-UHFFFAOYSA-N 2 0 355.526 3.275 20 0 FGADRP CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000503316528 503388779 /nfs/dbraw/zinc/38/87/79/503388779.db2.gz MARVQQNFOQGCBV-FQEVSTJZSA-N 2 0 372.557 3.411 20 0 FGADRP C[NH+](C)[C@@H](CNC(=O)c1cccc(C[N@H+](C)Cc2ccccc2)c1)C1CC1 ZINC000511816808 503393616 /nfs/dbraw/zinc/39/36/16/503393616.db2.gz GZOCDZSNDOGFAZ-QFIPXVFZSA-N 2 0 365.521 3.389 20 0 FGADRP O=C(NCCC[NH+]1CCCCC1)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000503423260 503406671 /nfs/dbraw/zinc/40/66/71/503406671.db2.gz SETKEYZUSFJVOB-IBGZPJMESA-N 2 0 361.505 3.030 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1csc2c1CCCC2 ZINC000499506868 503420918 /nfs/dbraw/zinc/42/09/18/503420918.db2.gz HOGHRCLEMTZXNI-MRXNPFEDSA-N 2 0 363.571 3.115 20 0 FGADRP C[NH+](C)CCOc1cc(C[NH2+]CCc2ccc(F)cc2Cl)ccn1 ZINC000515930047 503421621 /nfs/dbraw/zinc/42/16/21/503421621.db2.gz VWJCSVPGGHWNPK-UHFFFAOYSA-N 2 0 351.853 3.147 20 0 FGADRP C[C@@](O)(C[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1)C(F)(F)F ZINC000499601399 503441121 /nfs/dbraw/zinc/44/11/21/503441121.db2.gz XOLXHGLDAVRYPE-QGZVFWFLSA-N 2 0 356.432 3.288 20 0 FGADRP Cn1ccnc1C[N@H+](CCCc1cccc(F)c1)[C@H]1CC12CC[NH2+]CC2 ZINC000503917787 503489168 /nfs/dbraw/zinc/48/91/68/503489168.db2.gz KLVHFJBOIGYEKZ-IBGZPJMESA-N 2 0 356.489 3.136 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc(F)c(F)cc1Cl ZINC000508459307 503497998 /nfs/dbraw/zinc/49/79/98/503497998.db2.gz UQMNSZRDKSRJKS-CYBMUJFWSA-N 2 0 373.875 3.106 20 0 FGADRP CCCC[N@H+](C)CC1CC[NH+](CC(=O)N(C)CC2CCCCC2)CC1 ZINC000512265184 503502281 /nfs/dbraw/zinc/50/22/81/503502281.db2.gz OUKPQRNWPFQUFY-UHFFFAOYSA-N 2 0 351.579 3.469 20 0 FGADRP C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)[C@H]3CCC[NH+]3C3CC3)cc2)C1 ZINC000494294940 503521595 /nfs/dbraw/zinc/52/15/95/503521595.db2.gz FJKWMAUKLIEUBS-DYESRHJHSA-N 2 0 355.526 3.162 20 0 FGADRP CC1CC[NH+](CCCCNC(=O)NC[C@]2([NH+](C)C)CCC[C@@H](C)C2)CC1 ZINC000516559180 503536694 /nfs/dbraw/zinc/53/66/94/503536694.db2.gz ZQIOZQKCUHGPDB-CTNGQTDRSA-N 2 0 366.594 3.308 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NCC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000516562181 503537514 /nfs/dbraw/zinc/53/75/14/503537514.db2.gz DCVVQSCPJKSAEY-BJWHIEROSA-N 2 0 368.569 3.035 20 0 FGADRP c1csc(-c2n[nH]cc2C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)c1 ZINC000512449994 503555125 /nfs/dbraw/zinc/55/51/25/503555125.db2.gz NGGVCSUANAISBO-UHFFFAOYSA-N 2 0 360.527 3.073 20 0 FGADRP CCCN(CCC[NH+](C)C)C(=O)N[C@@H](C)[C@H](c1ccccc1C)[NH+](C)C ZINC000508845832 503575854 /nfs/dbraw/zinc/57/58/54/503575854.db2.gz KVOWCAVPSNNDPS-AZUAARDMSA-N 2 0 362.562 3.360 20 0 FGADRP CSc1ccc([C@H](C)[NH2+]CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)cc1 ZINC000500244780 503586619 /nfs/dbraw/zinc/58/66/19/503586619.db2.gz JRFMHUDJVKNKQQ-OXJNMPFZSA-N 2 0 371.550 3.478 20 0 FGADRP Cc1ccccc1[C@H]([C@H](C)NC(=O)NCCC1CC[NH+](C)CC1)[NH+](C)C ZINC000494699079 503594618 /nfs/dbraw/zinc/59/46/18/503594618.db2.gz YVYQEIFSKNCKGI-PXNSSMCTSA-N 2 0 360.546 3.017 20 0 FGADRP C[C@H](NC(=O)N(C)CC[C@H]1CCCC[N@@H+]1C)[C@H](c1ccccc1)[NH+](C)C ZINC000508903124 503595700 /nfs/dbraw/zinc/59/57/00/503595700.db2.gz FHMKEGSXVSPATK-DFQSSKMNSA-N 2 0 360.546 3.194 20 0 FGADRP C[C@@H]1CCC[C@H]([NH2+]Cc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)[C@@H]1C ZINC000512667499 503607825 /nfs/dbraw/zinc/60/78/25/503607825.db2.gz PWMRXRLTWFYKRZ-OPYAIIAOSA-N 2 0 357.542 3.427 20 0 FGADRP CCC[N@H+](C)[C@@H](CNC(=O)N1CCC[NH+](C)CC1)c1ccc(Cl)cc1 ZINC000509037908 503627127 /nfs/dbraw/zinc/62/71/27/503627127.db2.gz LUKZUPPLDJQJLV-SFHVURJKSA-N 2 0 366.937 3.070 20 0 FGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]C[C@H](O)C(C)(C)C)CC1 ZINC000516960961 503632174 /nfs/dbraw/zinc/63/21/74/503632174.db2.gz IKHJVYIRLDGOGK-BEFAXECRSA-N 2 0 351.510 3.025 20 0 FGADRP COc1ccc(Br)cc1C[NH2+]CC1(SC)CC[NH+](C)CC1 ZINC000517061059 503651820 /nfs/dbraw/zinc/65/18/20/503651820.db2.gz VKACOLPWONZAOC-UHFFFAOYSA-N 2 0 373.360 3.375 20 0 FGADRP CC(C)[NH+](C)CC1CC[NH+](CCN2CCC(C[N@@H+](C)C(C)C)CC2)CC1 ZINC000532951126 503672106 /nfs/dbraw/zinc/67/21/06/503672106.db2.gz WARHHEBSCOFVOC-UHFFFAOYSA-N 3 0 366.638 3.091 20 0 FGADRP COc1cc(C[NH+]2CCC(OCC[NH+](C)C)CC2)ccc1OC(C)C ZINC000536675042 503672294 /nfs/dbraw/zinc/67/22/94/503672294.db2.gz JYHVCGZFRRAMQU-UHFFFAOYSA-N 2 0 350.503 3.025 20 0 FGADRP C[C@@H]([NH2+]CC1(C[NH+](C)C)CCCC1)[C@H](c1ccccc1)N1CCOCC1 ZINC000546224881 503677356 /nfs/dbraw/zinc/67/73/56/503677356.db2.gz SFMUGXLFCSEVLO-TZIWHRDSSA-N 2 0 359.558 3.160 20 0 FGADRP [NH3+]CCC1CCN(C(=O)[C@@H]2CCn3c(cnc3C3CCCCC3)C2)CC1 ZINC000517243502 503691317 /nfs/dbraw/zinc/69/13/17/503691317.db2.gz ORIRNSUDNAQEMG-GOSISDBHSA-N 2 0 358.530 3.081 20 0 FGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCc2nc3c(s2)CCCC3)[C@H](C)C1 ZINC000540154349 503691336 /nfs/dbraw/zinc/69/13/36/503691336.db2.gz RDPLHFSFNXVMQL-IAGOWNOFSA-N 2 0 365.587 3.291 20 0 FGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCc2nc3c(s2)CCCC3)[C@@H](C)C1 ZINC000540154347 503692083 /nfs/dbraw/zinc/69/20/83/503692083.db2.gz RDPLHFSFNXVMQL-DLBZAZTESA-N 2 0 365.587 3.291 20 0 FGADRP CC[N@H+](CCC1CC[NH+](Cc2nc(N)c3ccccc3n2)CC1)CC1CC1 ZINC000536737083 503703986 /nfs/dbraw/zinc/70/39/86/503703986.db2.gz QGFGULPTLAYXEJ-UHFFFAOYSA-N 2 0 367.541 3.376 20 0 FGADRP c1c(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c(-c2ccncc2)nn1-c1ccccc1 ZINC000517326626 503715091 /nfs/dbraw/zinc/71/50/91/503715091.db2.gz AGAAOLULLNYALT-YOFSQIOKSA-N 2 0 359.477 3.307 20 0 FGADRP CC(C)[N@@H+]1CC[C@H](CNC(=O)NC2CCC([NH+]3CCC(C)CC3)CC2)C1 ZINC000533107067 503733485 /nfs/dbraw/zinc/73/34/85/503733485.db2.gz AVSNAVOWMSOLRE-XEVCZEQESA-N 2 0 364.578 3.059 20 0 FGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCc2nnc(-c3ccccc3)o2)[C@@H](C)C1 ZINC000536837373 503736713 /nfs/dbraw/zinc/73/67/13/503736713.db2.gz GASFTHGYJLSRTR-PKOBYXMFSA-N 2 0 372.513 3.006 20 0 FGADRP C[C@H]([NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(-n2cccn2)cc1 ZINC000536865569 503743437 /nfs/dbraw/zinc/74/34/37/503743437.db2.gz YPRFCVRCBVBDBJ-OTWHNJEPSA-N 2 0 356.514 3.412 20 0 FGADRP C[C@@H](CCC(F)(F)F)[NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000543401654 503755447 /nfs/dbraw/zinc/75/54/47/503755447.db2.gz ZSEOVGWGQOJUCR-WMLDXEAASA-N 2 0 371.447 3.205 20 0 FGADRP CCCC[NH+]1CCC(NC(=O)NC[C@H]2CCCC[N@@H+]2CCCC)CC1 ZINC000517505873 503759699 /nfs/dbraw/zinc/75/96/99/503759699.db2.gz GNZCXCZSOSHKAO-LJQANCHMSA-N 2 0 352.567 3.205 20 0 FGADRP C[C@H]1C[N@H+](CCOc2ccc(CC[NH2+]Cc3cscn3)cc2)C[C@H]1C ZINC000537022712 503779544 /nfs/dbraw/zinc/77/95/44/503779544.db2.gz VYZDZEFHEHSLRP-CALCHBBNSA-N 2 0 359.539 3.442 20 0 FGADRP Clc1ccc(-c2noc(CC[NH2+]C3CC[NH+](CC4CC4)CC3)n2)cc1 ZINC000537057628 503790407 /nfs/dbraw/zinc/79/04/07/503790407.db2.gz KVWAECIOLQJMJA-UHFFFAOYSA-N 2 0 360.889 3.397 20 0 FGADRP CC[NH+](CC)CCOC1CC[NH+](Cc2cn(C)nc2C(C)(C)C)CC1 ZINC000540505039 503797672 /nfs/dbraw/zinc/79/76/72/503797672.db2.gz ONDQVOOICFZDRX-UHFFFAOYSA-N 2 0 350.551 3.040 20 0 FGADRP CC[NH+](CC)CCOc1ccc(C(=O)NC[C@@H]2CC[N@@H+]2C2CCCC2)cc1 ZINC000530026421 503800098 /nfs/dbraw/zinc/80/00/98/503800098.db2.gz UCLXBPQHIYHDGJ-FQEVSTJZSA-N 2 0 373.541 3.154 20 0 FGADRP C[C@@H](C(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000517693358 503808570 /nfs/dbraw/zinc/80/85/70/503808570.db2.gz PNNRHVCIOIFCHN-PGRDOPGGSA-N 2 0 369.553 3.025 20 0 FGADRP CC(C)c1nc2c([nH]1)C[C@@H](C(=O)N1CCN(C)C[C@@H]1c1ccccc1)CC2 ZINC000527512438 503818635 /nfs/dbraw/zinc/81/86/35/503818635.db2.gz HTWTYYPUQSTNEL-FXAWDEMLSA-N 2 0 366.509 3.153 20 0 FGADRP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000543639319 503837593 /nfs/dbraw/zinc/83/75/93/503837593.db2.gz DAZWXDFXMVXVQX-RXVVDRJESA-N 2 0 372.557 3.023 20 0 FGADRP C[C@@H]1C[NH+](CCC2CC[NH+](Cc3ccc4c(c3)ncn4C)CC2)C[C@@H](C)O1 ZINC000537204300 503841445 /nfs/dbraw/zinc/84/14/45/503841445.db2.gz ISHDDWJJVRCZDO-QZTJIDSGSA-N 2 0 370.541 3.285 20 0 FGADRP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]C[C@H](O)C[NH+]1CCC(C)CC1)CC3 ZINC000543702443 503858956 /nfs/dbraw/zinc/85/89/56/503858956.db2.gz AXIUEUGTYOEJPT-MSOLQXFVSA-N 2 0 355.526 3.016 20 0 FGADRP CC(C)[C@H](CNC(=O)N[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1)[NH+]1CCCC1 ZINC000517889395 503859736 /nfs/dbraw/zinc/85/97/36/503859736.db2.gz KZGQTCIRZWIBKI-JBACZVJFSA-N 2 0 372.557 3.242 20 0 FGADRP CN(CCC[NH+]1CCCC1)C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000540702165 503861349 /nfs/dbraw/zinc/86/13/49/503861349.db2.gz SBVFCSVSZOOPEM-KRWDZBQOSA-N 2 0 364.559 3.012 20 0 FGADRP Cn1cc(-c2nc(C[NH2+][C@H]3CCc4nc(C(C)(C)C)cn4C3)cs2)cn1 ZINC000527648791 503875765 /nfs/dbraw/zinc/87/57/65/503875765.db2.gz IHEFLYQIXQOIRZ-AWEZNQCLSA-N 2 0 370.526 3.142 20 0 FGADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]CC/C=C/c1ccc(Br)cc1 ZINC000530214918 503880309 /nfs/dbraw/zinc/88/03/09/503880309.db2.gz YXRMJUGZQBOTTQ-RZKFTEDPSA-N 2 0 353.304 3.194 20 0 FGADRP OC[C@H](C[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)Cc1ccco1 ZINC000543762211 503883669 /nfs/dbraw/zinc/88/36/69/503883669.db2.gz ISNZKCFPDVAAFX-JFJDKTSWSA-N 2 0 368.521 3.321 20 0 FGADRP C[C@H](c1ncc(-c2ccccc2)o1)[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530240008 503889066 /nfs/dbraw/zinc/88/90/66/503889066.db2.gz JKTKTWPMJBHRJF-APWZRJJASA-N 2 0 355.482 3.493 20 0 FGADRP Clc1ccc2cccnc2c1C[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530242900 503890440 /nfs/dbraw/zinc/89/04/40/503890440.db2.gz VSCNAXNLPCSCMK-KRWDZBQOSA-N 2 0 359.901 3.479 20 0 FGADRP C[NH+]1CCN(CCOc2ccc(-c3ccc(/C=C\CC[NH3+])cc3)cc2)CC1 ZINC000530247987 503893331 /nfs/dbraw/zinc/89/33/31/503893331.db2.gz DPBGOVSOMWXPSN-RQOWECAXSA-N 2 0 365.521 3.342 20 0 FGADRP COc1ccc(NC(=O)[C@@H](c2ccccc2)[N@@H+]2CCC[C@@H](CC[NH3+])C2)cc1 ZINC000518187938 503924101 /nfs/dbraw/zinc/92/41/01/503924101.db2.gz PYCOJKOQUOPXJO-LAUBAEHRSA-N 2 0 367.493 3.436 20 0 FGADRP CN1C(=O)c2ccccc2[C@H]1CNC1CC[NH+](CCc2ccccc2)CC1 ZINC000527811849 503955778 /nfs/dbraw/zinc/95/57/78/503955778.db2.gz UCLXSTMCYNXTND-JOCHJYFZSA-N 2 0 363.505 3.110 20 0 FGADRP CC(C)[C@@H](C[NH2+][C@H]1CCc2cc(F)c(Cl)cc21)N1CC[NH+](C)CC1 ZINC000527854957 503973958 /nfs/dbraw/zinc/97/39/58/503973958.db2.gz ZKEAXOPSAJXFOC-RBUKOAKNSA-N 2 0 353.913 3.328 20 0 FGADRP C[C@@H](C(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1)[NH+]1[C@H](C)CC[C@H]1C ZINC000518457909 503991959 /nfs/dbraw/zinc/99/19/59/503991959.db2.gz WCNHAUQHGJYCSG-QRVBRYPASA-N 2 0 373.541 3.039 20 0 FGADRP CC[N@H+](C)Cc1cccc(CNC(=O)[C@@H]2CC[NH+](Cc3ccccc3)C2)c1 ZINC000518559549 504015948 /nfs/dbraw/zinc/01/59/48/504015948.db2.gz AVUOAVUGPBFAET-JOCHJYFZSA-N 2 0 365.521 3.277 20 0 FGADRP CC[N@H+](Cc1ccc(C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)cc1)C1CC1 ZINC000518618591 504028592 /nfs/dbraw/zinc/02/85/92/504028592.db2.gz VNQSFQHIMVTNFO-OAQYLSRUSA-N 2 0 355.526 3.371 20 0 FGADRP COc1ccc(CC[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)cn1 ZINC000527991432 504029940 /nfs/dbraw/zinc/02/99/40/504029940.db2.gz VPJIFAULTGSIDA-PWRODBHTSA-N 2 0 351.494 3.133 20 0 FGADRP C[N@H+](CCCNC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1)Cc1ccccc1 ZINC000518626357 504030634 /nfs/dbraw/zinc/03/06/34/504030634.db2.gz SRTDLWRXSGDHTE-NRFANRHFSA-N 2 0 372.557 3.168 20 0 FGADRP O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000518628882 504031547 /nfs/dbraw/zinc/03/15/47/504031547.db2.gz QXOFSIHDLVKAOI-RTBURBONSA-N 2 0 374.529 3.076 20 0 FGADRP COc1ccc([C@H](CCn2cncn2)[NH2+]C[C@H]2CCN2C2CCCC2)cc1 ZINC000528001610 504034606 /nfs/dbraw/zinc/03/46/06/504034606.db2.gz MJBQPPGCBHEUJW-CTNGQTDRSA-N 2 0 369.513 3.025 20 0 FGADRP C[C@@H]([NH2+]C[C@H]1c2ccccc2C(=O)N1C)c1cccc(OCC[NH+](C)C)c1 ZINC000528009644 504037810 /nfs/dbraw/zinc/03/78/10/504037810.db2.gz ZCSSFDYPUBULJX-IERDGZPVSA-N 2 0 367.493 3.105 20 0 FGADRP CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+]C[C@H]2CCN2C2CCCC2)cc1 ZINC000528011620 504038865 /nfs/dbraw/zinc/03/88/65/504038865.db2.gz MLKPQDAAWNUXBZ-HNAYVOBHSA-N 2 0 365.543 3.116 20 0 FGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000537792455 504044218 /nfs/dbraw/zinc/04/42/18/504044218.db2.gz MUEIKARLCYQUEZ-FQEVSTJZSA-N 2 0 358.530 3.021 20 0 FGADRP C[C@H]1CCCN(C(=O)C[NH+]2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)C1 ZINC000534230474 504077602 /nfs/dbraw/zinc/07/76/02/504077602.db2.gz WGOKNJJDSXCJDX-FQEVSTJZSA-N 2 0 369.553 3.233 20 0 FGADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CCOc1ncc(C(F)(F)F)cc1Cl ZINC000537987413 504102704 /nfs/dbraw/zinc/10/27/04/504102704.db2.gz OCLJWGWWIXYNAJ-ZWNOBZJWSA-N 2 0 351.800 3.062 20 0 FGADRP CCN(CC)[C@@H](C[NH2+]Cc1cn(-c2cc[nH+]cc2)nc1C)c1ccco1 ZINC000541389252 504114094 /nfs/dbraw/zinc/11/40/94/504114094.db2.gz GUHUENHZFJLPAW-IBGZPJMESA-N 2 0 353.470 3.341 20 0 FGADRP C[C@H]1C[C@H](CC[NH2+]C2CCN(C(=O)N(C)C)CC2)C[N@@H+]1Cc1ccccc1 ZINC000538196415 504159087 /nfs/dbraw/zinc/15/90/87/504159087.db2.gz GDQJNQSHKNHCKT-ICSRJNTNSA-N 2 0 372.557 3.023 20 0 FGADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+](CCCO)[C@@H]1CCc2ccccc21 ZINC000541534875 504167074 /nfs/dbraw/zinc/16/70/74/504167074.db2.gz ZTGLKCSAXFZDQO-JOCHJYFZSA-N 2 0 362.477 3.448 20 0 FGADRP Cc1ccc([C@H](CNC(=O)NC[C@H](c2ccccc2)[NH+](C)C)[NH+](C)C)cc1 ZINC000519295016 504186061 /nfs/dbraw/zinc/18/60/61/504186061.db2.gz AQRLUXPUULACPN-RTWAWAEBSA-N 2 0 368.525 3.200 20 0 FGADRP C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000519358289 504200507 /nfs/dbraw/zinc/20/05/07/504200507.db2.gz UVRFCMQNVGRRNF-OALUTQOASA-N 2 0 372.557 3.345 20 0 FGADRP c1cc2c(cc1C[N@@H+]1CCC[C@@H]1c1ccc3c(c1)OCCO3)C[NH2+]CC2 ZINC000519411534 504215656 /nfs/dbraw/zinc/21/56/56/504215656.db2.gz KTSWPKPEGMYTGQ-HXUWFJFHSA-N 2 0 350.462 3.441 20 0 FGADRP Cc1ccc([C@@H]2CC[N@@H+](CC(=O)NC[C@@H](c3ccccc3)[NH+](C)C)C2)cc1 ZINC000547787246 504224767 /nfs/dbraw/zinc/22/47/67/504224767.db2.gz RGBZATISTNPKFX-YADHBBJMSA-N 2 0 365.521 3.203 20 0 FGADRP C[NH+]1CCC(O)(C[NH2+][C@@H]2CCc3c2cc(Cl)cc3Br)CC1 ZINC000534793898 504242438 /nfs/dbraw/zinc/24/24/38/504242438.db2.gz BOLLIKRARFFSKO-OAHLLOKOSA-N 2 0 373.722 3.136 20 0 FGADRP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)NCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000541780925 504252028 /nfs/dbraw/zinc/25/20/28/504252028.db2.gz ISOCRTWTNOYNTK-FGTMMUONSA-N 2 0 366.594 3.115 20 0 FGADRP CC[C@H](C(=O)Nc1ccc(OC)cc1)[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000531347407 504275546 /nfs/dbraw/zinc/27/55/46/504275546.db2.gz SLDYUVFLOBEBRX-HXUWFJFHSA-N 2 0 361.530 3.465 20 0 FGADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)[C@@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000531357242 504276949 /nfs/dbraw/zinc/27/69/49/504276949.db2.gz GVDAHCTYHVGBQM-HUUCEWRRSA-N 2 0 372.340 3.049 20 0 FGADRP OC1(C[NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)Cc2ccccc2C1 ZINC000541882364 504289537 /nfs/dbraw/zinc/28/95/37/504289537.db2.gz FJDIKBQFZBVDGR-XPWALMASSA-N 2 0 362.517 3.017 20 0 FGADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000519669636 504296256 /nfs/dbraw/zinc/29/62/56/504296256.db2.gz UYPGWLJKJGWUQN-GCJKJVERSA-N 2 0 361.493 3.328 20 0 FGADRP COC(=O)c1ccc(C[NH2+]CC[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)[nH]1 ZINC000541922996 504303246 /nfs/dbraw/zinc/30/32/46/504303246.db2.gz WOPMHLSBLXGFPR-FUHWJXTLSA-N 2 0 355.482 3.192 20 0 FGADRP CCC[NH+]1CCN(c2ccccc2C[NH2+]Cc2c(C)nn(CC)c2C)CC1 ZINC000531532250 504336346 /nfs/dbraw/zinc/33/63/46/504336346.db2.gz RKYXFUXGDXHSOP-UHFFFAOYSA-N 2 0 369.557 3.342 20 0 FGADRP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000519797209 504342121 /nfs/dbraw/zinc/34/21/21/504342121.db2.gz RJYPAACCUJLAOM-WSTZPKSXSA-N 2 0 360.546 3.067 20 0 FGADRP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(OCc3noc(C)n3)cc2)C[C@@H]1C ZINC000538720176 504343561 /nfs/dbraw/zinc/34/35/61/504343561.db2.gz KYBHCWKCIKXFIW-MAUKXSAKSA-N 2 0 358.486 3.262 20 0 FGADRP C[C@@H]([NH2+]CCCC[NH+]1CCN(C)CC1)c1ccc(OCC(F)(F)F)cc1 ZINC000531684882 504392579 /nfs/dbraw/zinc/39/25/79/504392579.db2.gz CBNCZSPFUUHJNF-MRXNPFEDSA-N 2 0 373.463 3.306 20 0 FGADRP C[NH+](C)Cc1ccsc1C(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000531778241 504421541 /nfs/dbraw/zinc/42/15/41/504421541.db2.gz GQUPITRBKBYKNU-MRXNPFEDSA-N 2 0 365.930 3.496 20 0 FGADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]C[C@H](c1ccco1)N1CCCC1 ZINC000542321771 504450588 /nfs/dbraw/zinc/45/05/88/504450588.db2.gz BXGUFVLDFIOIAU-LJQANCHMSA-N 2 0 351.454 3.095 20 0 FGADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]C[C@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000539048128 504456850 /nfs/dbraw/zinc/45/68/50/504456850.db2.gz ZTLNSCXIYRLOFZ-MDUILUSMSA-N 2 0 353.913 3.402 20 0 FGADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(OCCO)cc1 ZINC000539069946 504463781 /nfs/dbraw/zinc/46/37/81/504463781.db2.gz AXBIKQKOVWSFOG-PGRDOPGGSA-N 2 0 354.494 3.058 20 0 FGADRP C[C@H](Cn1ccnc1)[NH2+][C@@H](C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000531937865 504480837 /nfs/dbraw/zinc/48/08/37/504480837.db2.gz XJZVAXZAKJUTHX-QWHCGFSZSA-N 2 0 354.376 3.297 20 0 FGADRP Cc1ccc(NC(=O)NC[C@H]2CC[N@@H+]2C2CCCC2)c(OCC[NH+](C)C)c1 ZINC000528989064 504484901 /nfs/dbraw/zinc/48/49/01/504484901.db2.gz NWWUPDJESLYUKN-GOSISDBHSA-N 2 0 374.529 3.074 20 0 FGADRP CC(C)c1ccc(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)s1 ZINC000545485490 504503791 /nfs/dbraw/zinc/50/37/91/504503791.db2.gz MBYKBJVARNDAIO-UHFFFAOYSA-N 2 0 372.538 3.209 20 0 FGADRP CC(C)N1CCC[C@H]([NH+]2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)C1=O ZINC000535680169 504506123 /nfs/dbraw/zinc/50/61/23/504506123.db2.gz IXLMKCGKJGTDLG-NRFANRHFSA-N 2 0 369.553 3.374 20 0 FGADRP CCC[NH+]1CCC([NH2+]C[C@H](CO)Cc2ccccc2C(F)(F)F)CC1 ZINC000539295392 504522174 /nfs/dbraw/zinc/52/21/74/504522174.db2.gz LMAQNUPUDSXVSF-OAHLLOKOSA-N 2 0 358.448 3.320 20 0 FGADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H]2CCCOc3cc(Cl)ccc32)CC1 ZINC000539307070 504525322 /nfs/dbraw/zinc/52/53/22/504525322.db2.gz NVZZJYNAJCQIAS-QAPCUYQASA-N 2 0 351.922 3.169 20 0 FGADRP CC(C)C[C@H](CNC(=O)NC[C@H]1CCC[N@H+](C)C1)[NH2+][C@@H](C)c1ccccc1 ZINC000532075838 504526910 /nfs/dbraw/zinc/52/69/10/504526910.db2.gz VPMIFXLAHYMLPH-QKNQBKEWSA-N 2 0 374.573 3.393 20 0 FGADRP Fc1ccc2c(c1)CCC[C@H]2[NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000539317559 504527701 /nfs/dbraw/zinc/52/77/01/504527701.db2.gz PITBKTWSMUBHFE-JOCHJYFZSA-N 2 0 368.500 3.400 20 0 FGADRP CC(C)c1nn(-c2ccccc2)cc1C[NH2+]CC1(O)CC[NH+](C(C)C)CC1 ZINC000532120508 504540857 /nfs/dbraw/zinc/54/08/57/504540857.db2.gz HJZCAXQUPCDBLY-UHFFFAOYSA-N 2 0 370.541 3.321 20 0 FGADRP CCc1[nH+]c2ccccc2c(NC2CC[NH+](C[C@@H]3CCOC3)CC2)c1C ZINC000548791429 504569151 /nfs/dbraw/zinc/56/91/51/504569151.db2.gz PCJVYLRENWOJRU-KRWDZBQOSA-N 2 0 353.510 3.440 20 0 FGADRP C[NH+]1CCN(c2ncccc2C[NH2+][C@H](CC2CC2)c2ccccc2)CC1 ZINC000532210632 504574441 /nfs/dbraw/zinc/57/44/41/504574441.db2.gz SMIWQVQIZXVCMQ-OAQYLSRUSA-N 2 0 350.510 3.464 20 0 FGADRP CCC[N@@H+]1CCC[C@H]1CNC(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000548814903 504577118 /nfs/dbraw/zinc/57/71/18/504577118.db2.gz XTBGWTFKCUOYKC-ROUUACIJSA-N 2 0 366.937 3.116 20 0 FGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(F)c(COC)c2)[C@@H](C)C1 ZINC000532224545 504579651 /nfs/dbraw/zinc/57/96/51/504579651.db2.gz LERMQLYTIREVEL-OXJNMPFZSA-N 2 0 352.494 3.199 20 0 FGADRP COc1cc(C[NH2+]C[C@H]2CC[N@@H+](C(C)C)C2)ccc1OCC(F)(F)F ZINC000548834328 504584067 /nfs/dbraw/zinc/58/40/67/504584067.db2.gz SXGVLTBEWMMMBN-OAHLLOKOSA-N 2 0 360.420 3.456 20 0 FGADRP CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(CN3CC[NH+](CC)CC3)cc2)C12CCC2 ZINC000539499895 504591215 /nfs/dbraw/zinc/59/12/15/504591215.db2.gz MVXWTLMGRCOVLG-FCHUYYIVSA-N 2 0 371.569 3.261 20 0 FGADRP C[C@@H]1CN(C(=O)CCN(C)c2cc[nH+]cc2)[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC000542786188 504608789 /nfs/dbraw/zinc/60/87/89/504608789.db2.gz IAJALVCHLTZWCU-MOPGFXCFSA-N 2 0 366.509 3.029 20 0 FGADRP CN(CCC(=O)N(C)[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1cc[nH+]cc1 ZINC000542784493 504608978 /nfs/dbraw/zinc/60/89/78/504608978.db2.gz MBHCIURDEVXEOA-NRFANRHFSA-N 2 0 366.509 3.031 20 0 FGADRP CN(CCC(=O)N(CC[NH+](C)C)Cc1cccc(Cl)c1)c1cc[nH+]cc1 ZINC000542787667 504610597 /nfs/dbraw/zinc/61/05/97/504610597.db2.gz DYZHPWFMWAKZTP-UHFFFAOYSA-N 2 0 374.916 3.152 20 0 FGADRP CCC[NH+]1CCC(NC(=O)NC[C@H]2CCC[N@@H+]2CC2CCCCC2)CC1 ZINC000520986732 504623899 /nfs/dbraw/zinc/62/38/99/504623899.db2.gz CGCOIAOGCRBUKV-HXUWFJFHSA-N 2 0 364.578 3.205 20 0 FGADRP C[NH+]1CCC(O)(C[NH2+][C@H]2CCC[C@H]2c2ccc(C(F)(F)F)cc2)CC1 ZINC000539609280 504625021 /nfs/dbraw/zinc/62/50/21/504625021.db2.gz QUAIMQDKMVYMNP-IRXDYDNUSA-N 2 0 356.432 3.388 20 0 FGADRP C[C@@H]([NH2+]C[C@H]1COc2ccccc2O1)c1cccc(OCC[NH+](C)C)c1 ZINC000539609770 504625224 /nfs/dbraw/zinc/62/52/24/504625224.db2.gz MNHUUSPDQUABLX-APWZRJJASA-N 2 0 356.466 3.118 20 0 FGADRP Cc1cc(C[NH2+]Cc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)c(C)s1 ZINC000532376394 504628628 /nfs/dbraw/zinc/62/86/28/504628628.db2.gz ZSPJHGCGSOHKOT-UHFFFAOYSA-N 2 0 371.550 3.480 20 0 FGADRP CCC[C@H]([NH2+][C@H]1CCC[C@@H]([NH3+])C1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000521068380 504642290 /nfs/dbraw/zinc/64/22/90/504642290.db2.gz WUDLPUVWYYLVGB-UWVAXJGDSA-N 2 0 358.530 3.254 20 0 FGADRP COCCCn1nccc1CNCc1ccccc1C[NH+]1CCCCC1 ZINC000548984950 504644124 /nfs/dbraw/zinc/64/41/24/504644124.db2.gz VYYBPORKOYOVDZ-UHFFFAOYSA-N 2 0 356.514 3.195 20 0 FGADRP CCC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC000529404211 504658273 /nfs/dbraw/zinc/65/82/73/504658273.db2.gz VEYFMYFSUVJANN-CIAFKFPVSA-N 2 0 369.553 3.230 20 0 FGADRP C[C@@H]([NH2+]CCCN1CC[N@H+](C)C[C@H]1c1ccccc1)c1ccc(F)cn1 ZINC000539968338 504750225 /nfs/dbraw/zinc/75/02/25/504750225.db2.gz UEEFWXBRXIEOGD-UTKZUKDTSA-N 2 0 356.489 3.250 20 0 FGADRP CC[NH+](CC)CC1CCN(C(=O)NC[C@@H](c2ccc(C)cc2)[NH+](C)C)CC1 ZINC000521520013 504751692 /nfs/dbraw/zinc/75/16/92/504751692.db2.gz NOCXTOJTSYDFRK-NRFANRHFSA-N 2 0 374.573 3.361 20 0 FGADRP C[N@H+](Cc1ccccc1)CC(C)(C)NC(=O)NCCC[NH+]1CCCCC1 ZINC000532836745 504765362 /nfs/dbraw/zinc/76/53/62/504765362.db2.gz BNPSFASKJHUBOL-UHFFFAOYSA-N 2 0 360.546 3.072 20 0 FGADRP CC[N@H+](CCC1CC[NH+](CCn2c(C)csc2=O)CC1)CC1CC1 ZINC000540050085 504765837 /nfs/dbraw/zinc/76/58/37/504765837.db2.gz MJTGPRKYAHULSP-UHFFFAOYSA-N 2 0 351.560 3.052 20 0 FGADRP C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)c1ccccc1CC1CC[NH2+]CC1 ZINC000565033596 504776928 /nfs/dbraw/zinc/77/69/28/504776928.db2.gz BSBYJAPGNYUKRL-ROUUACIJSA-N 2 0 357.542 3.221 20 0 FGADRP C[C@H]1[C@@H](NC(=O)CC[NH+](C)C2CCCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000559091515 504779700 /nfs/dbraw/zinc/77/97/00/504779700.db2.gz QBHSZUVVDXENNS-RXVVDRJESA-N 2 0 357.542 3.420 20 0 FGADRP C[C@H](C(=O)NCc1ccccc1C[N@H+](C)C1CCCCC1)[NH+]1CC(C)C1 ZINC000553039038 504811595 /nfs/dbraw/zinc/81/15/95/504811595.db2.gz FDORBBILULMDAE-GOSISDBHSA-N 2 0 357.542 3.408 20 0 FGADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C[C@H](c1ncc[nH]1)c1ccccc1 ZINC000553042353 504811620 /nfs/dbraw/zinc/81/16/20/504811620.db2.gz ZLVGOESKSAQTFV-AOIWGVFYSA-N 2 0 354.498 3.168 20 0 FGADRP C[C@H]1CCCC[N@@H+]1CCC(=O)N1CC[C@@H](C)[NH+](Cc2ccccc2)CC1 ZINC000559276615 504817597 /nfs/dbraw/zinc/81/75/97/504817597.db2.gz SZQPUWDABLUTJL-VQTJNVASSA-N 2 0 357.542 3.374 20 0 FGADRP C[C@H](c1ccc(F)cc1)N1CC[C@H]([NH+]2CCC(c3c[nH]cn3)CC2)C1=O ZINC000549526837 504842544 /nfs/dbraw/zinc/84/25/44/504842544.db2.gz ANNUBFDJCRDSKO-KUHUBIRLSA-N 2 0 356.445 3.090 20 0 FGADRP Cc1nc(C(C)C)ccc1CN1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000549531978 504843396 /nfs/dbraw/zinc/84/33/96/504843396.db2.gz WSOPHSSUXYLYSF-WCRBZPEASA-N 2 0 356.558 3.256 20 0 FGADRP CC(C)[NH+]1CCN(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)CC1 ZINC000549584816 504854176 /nfs/dbraw/zinc/85/41/76/504854176.db2.gz SEAFLJWRTKWLLA-FQEVSTJZSA-N 2 0 372.557 3.023 20 0 FGADRP C[C@H](NC(=O)C[NH+]1CCC(C[NH+](C)C)CC1)c1ccc(Cl)c(Cl)c1 ZINC000556382740 504859738 /nfs/dbraw/zinc/85/97/38/504859738.db2.gz XIYDCOGSCDIJJM-ZDUSSCGKSA-N 2 0 372.340 3.444 20 0 FGADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@H](CO)c1ccc(C(F)(F)F)cc1 ZINC000565357572 504864170 /nfs/dbraw/zinc/86/41/70/504864170.db2.gz VIVWHPUUTXYRGV-YVEFUNNKSA-N 2 0 353.388 3.252 20 0 FGADRP Cc1cccc([C@@H]([NH2+]CC(=O)NC2CC[NH+](C3CC3)CC2)C(C)(C)C)c1 ZINC000553364647 504894554 /nfs/dbraw/zinc/89/45/54/504894554.db2.gz WLNDSFIEXIBJTH-OAQYLSRUSA-N 2 0 357.542 3.415 20 0 FGADRP Cc1ccc([C@@H](CNC(=O)[C@H]2CC[N@H+](Cc3ccccc3)C2)[NH+](C)C)cc1 ZINC000553391824 504901919 /nfs/dbraw/zinc/90/19/19/504901919.db2.gz JQFDODVUKMNDCA-FCHUYYIVSA-N 2 0 365.521 3.236 20 0 FGADRP Cc1ccccc1C[C@@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)C1CC1 ZINC000556584014 504910859 /nfs/dbraw/zinc/91/08/59/504910859.db2.gz NKBNAFFWJJAOPQ-OAQYLSRUSA-N 2 0 353.510 3.441 20 0 FGADRP CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000562769924 504939313 /nfs/dbraw/zinc/93/93/13/504939313.db2.gz QPVNPTVNOSEULQ-UHFFFAOYSA-N 2 0 367.497 3.311 20 0 FGADRP CC[C@H](Cn1cncn1)[NH2+]Cc1ccccc1C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000559896617 504946605 /nfs/dbraw/zinc/94/66/05/504946605.db2.gz VSQNTSUCPFFDCD-DBXWQHBBSA-N 2 0 355.530 3.324 20 0 FGADRP Cc1cc(C(C)(C)C)ccc1OC[C@H](O)C[NH2+][C@H](C)C1=CC[N@H+](C)CC1 ZINC000565654955 504950724 /nfs/dbraw/zinc/95/07/24/504950724.db2.gz ZMPSTXLCMAVCCD-YLJYHZDGSA-N 2 0 360.542 3.272 20 0 FGADRP C[C@H](C(=O)Nc1ccc(OC(F)F)cc1)[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000562838421 504961257 /nfs/dbraw/zinc/96/12/57/504961257.db2.gz XULRXHJNRCBXOI-DYVFJYSZSA-N 2 0 367.440 3.079 20 0 FGADRP C[NH+](C)CC1CCC([NH2+]C[C@H](O)COc2cccc(C(F)(F)F)c2)CC1 ZINC000565711848 504965898 /nfs/dbraw/zinc/96/58/98/504965898.db2.gz HTKMIJOKMAFTNL-PREGVCBESA-N 2 0 374.447 3.155 20 0 FGADRP Cc1cc(C)n(-c2ccc(CC[NH2+][C@@H]3CC[N@@H+](C)[C@@H]4CCC[C@@H]43)cc2)n1 ZINC000556858621 504998149 /nfs/dbraw/zinc/99/81/49/504998149.db2.gz NVNFLMGDZKTQHL-YPAWHYETSA-N 2 0 352.526 3.494 20 0 FGADRP CCc1nncn1CC[NH2+][C@@H]1CCCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000556884087 505005443 /nfs/dbraw/zinc/00/54/43/505005443.db2.gz PIZLLRBUUAFKHK-PWRODBHTSA-N 2 0 367.541 3.121 20 0 FGADRP C[C@@H]1C[C@H]([NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)CCO1 ZINC000550262722 505006034 /nfs/dbraw/zinc/00/60/34/505006034.db2.gz PJDAQYZMUNIPAX-HLAWJBBLSA-N 2 0 358.526 3.072 20 0 FGADRP CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000565895004 505019518 /nfs/dbraw/zinc/01/95/18/505019518.db2.gz OAGONEMBLHEYOD-IHWFROFDSA-N 2 0 370.541 3.067 20 0 FGADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1)c1ccccc1 ZINC000565940746 505033775 /nfs/dbraw/zinc/03/37/75/505033775.db2.gz QYOHFKWQQSZFRE-YLJYHZDGSA-N 2 0 372.557 3.147 20 0 FGADRP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)Nc2ccc3c(c2)C[NH2+]C3)CC1 ZINC000557045500 505052750 /nfs/dbraw/zinc/05/27/50/505052750.db2.gz FSAJBALVEMFYOB-HNNXBMFYSA-N 2 0 365.481 3.032 20 0 FGADRP C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(OCCC[NH+](C)C)cc2)[C@H](n2cncn2)C1 ZINC000550646188 505078597 /nfs/dbraw/zinc/07/85/97/505078597.db2.gz ZWZRVSUQMDRBNJ-DUXKGJEZSA-N 2 0 371.529 3.128 20 0 FGADRP CC[N@H+](CCC1CC[NH+](Cc2cccc(C(=O)NC)c2)CC1)CC1CC1 ZINC000557187909 505088717 /nfs/dbraw/zinc/08/87/17/505088717.db2.gz WWOGOHSWFQUOCD-UHFFFAOYSA-N 2 0 357.542 3.380 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N1CC[C@H]([NH+]2CCCC2)[C@@H]1C)c1ccccc1 ZINC000554218418 505118718 /nfs/dbraw/zinc/11/87/18/505118718.db2.gz OJRKPQPLLPRBJW-SESVDKBCSA-N 2 0 372.557 3.338 20 0 FGADRP Fc1ccc([C@@H]2CC[NH2+]C[C@@H]2C[NH2+]Cc2c[nH]nc2-c2cccnc2)cc1 ZINC000563452400 505144471 /nfs/dbraw/zinc/14/44/71/505144471.db2.gz IYNKTOGOYQBZIE-XLIONFOSSA-N 2 0 365.456 3.094 20 0 FGADRP CC(C)[N@@H+](C)C[C@H](C)NC(=O)NC[C@@]1(C)CCC[NH+]1Cc1ccccc1 ZINC000566332917 505146576 /nfs/dbraw/zinc/14/65/76/505146576.db2.gz WRDWWHMSKVYYKA-GHTZIAJQSA-N 2 0 360.546 3.069 20 0 FGADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)Nc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000563500419 505158304 /nfs/dbraw/zinc/15/83/04/505158304.db2.gz DPDXAQUQYWBHAP-IIBYNOLFSA-N 2 0 364.493 3.289 20 0 FGADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)C1 ZINC000566481310 505187291 /nfs/dbraw/zinc/18/72/91/505187291.db2.gz GYGVOVZRJBKFBR-IKGGRYGDSA-N 2 0 369.431 3.056 20 0 FGADRP Cc1ccc(S(=O)(=O)C[C@H](C)[NH2+]CCCCC[NH+]2CCCC2)cc1 ZINC000563671187 505206170 /nfs/dbraw/zinc/20/61/70/505206170.db2.gz QZTHEOARTGWAOD-SFHVURJKSA-N 2 0 352.544 3.013 20 0 FGADRP C[NH+]1CCC([C@H]2CC[N@H+](Cc3cnn(Cc4ccc(F)cc4)c3)C2)CC1 ZINC000563751425 505228815 /nfs/dbraw/zinc/22/88/15/505228815.db2.gz AQZQKPDLDZXFCB-FQEVSTJZSA-N 2 0 356.489 3.234 20 0 FGADRP COCCN(C)C[C@H](O)C[N@@H+]1CC[C@@H](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000566686362 505244017 /nfs/dbraw/zinc/24/40/17/505244017.db2.gz KVTATZHHAITGEJ-JLSDUUJJSA-N 2 0 374.447 3.027 20 0 FGADRP COc1cc(C[NH2+][C@H](C)C[C@H](C)[NH3+])cc(Br)c1OC(F)F ZINC000563810229 505245624 /nfs/dbraw/zinc/24/56/24/505245624.db2.gz FBDVMRPZNVSUQY-DTWKUNHWSA-N 2 0 367.234 3.275 20 0 FGADRP C[C@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1cn(Cc2ccccc2)nc1-c1cccnc1 ZINC000563944407 505284507 /nfs/dbraw/zinc/28/45/07/505284507.db2.gz HUPGOOXIRHVPIG-UWJYYQICSA-N 2 0 361.493 3.081 20 0 FGADRP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](Cc2cc(-c3ccc(F)cc3)no2)CC1 ZINC000561280734 505302372 /nfs/dbraw/zinc/30/23/72/505302372.db2.gz OQMFWUIBTBGDQC-UYAOXDASSA-N 2 0 359.445 3.199 20 0 FGADRP C[NH+](Cc1cncc(C[N@H+](C)C[C@H]2CCCCO2)c1)C[C@H]1CCCCO1 ZINC000566896148 505304120 /nfs/dbraw/zinc/30/41/20/505304120.db2.gz ZTYJYGRLXULPGA-NHCUHLMSSA-N 2 0 361.530 3.083 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@]2(C)OCCc3sccc32)[C@@H](C)C1 ZINC000555003076 505325307 /nfs/dbraw/zinc/32/53/07/505325307.db2.gz NAZXBSQIXQKRBM-XKGZKEIXSA-N 2 0 366.571 3.263 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@]2(C)OCCc3sccc32)[C@@H](C)C1 ZINC000555003075 505325880 /nfs/dbraw/zinc/32/58/80/505325880.db2.gz NAZXBSQIXQKRBM-QRFRQXIXSA-N 2 0 366.571 3.263 20 0 FGADRP C[C@@H]([NH2+][C@@H](C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)C1CCCCC1 ZINC000567000416 505334311 /nfs/dbraw/zinc/33/43/11/505334311.db2.gz ZVYSCDSWTONLAS-LQWHRVPQSA-N 2 0 357.542 3.324 20 0 FGADRP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000561449844 505349174 /nfs/dbraw/zinc/34/91/74/505349174.db2.gz LDYHRHKLYWFYRR-HLAWJBBLSA-N 2 0 370.541 3.092 20 0 FGADRP C[C@H](C[NH+]1CCCCC1)NC(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000555133776 505359581 /nfs/dbraw/zinc/35/95/81/505359581.db2.gz WRJBKCHFCCTJRF-CRAIPNDOSA-N 2 0 366.937 3.116 20 0 FGADRP CCc1noc(-c2ccc(CC[NH2+][C@@H]3CC[N@H+](C)[C@@H]4CCC[C@H]43)cc2)n1 ZINC000552034769 505377054 /nfs/dbraw/zinc/37/70/54/505377054.db2.gz WLVWKKBLYYTZPN-IPMKNSEASA-N 2 0 354.498 3.304 20 0 FGADRP CC(C)[NH2+]CCC[NH2+]C1CCN(Cc2ccccc2Br)CC1 ZINC000564318946 505382344 /nfs/dbraw/zinc/38/23/44/505382344.db2.gz YFRJTUVTSONQFD-UHFFFAOYSA-N 2 0 368.363 3.391 20 0 FGADRP C[C@@H]([NH2+]CCCC[NH+]1CCN(Cc2ccccc2)CC1)c1ccncc1F ZINC000567174426 505385829 /nfs/dbraw/zinc/38/58/29/505385829.db2.gz SGKFDMLIMURXHZ-LJQANCHMSA-N 2 0 370.516 3.469 20 0 FGADRP C[N@@H+]1CC[C@H](NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)[C@H]2CCC[C@H]21 ZINC000552063728 505386614 /nfs/dbraw/zinc/38/66/14/505386614.db2.gz KMYHRXXUTPZXLN-KWXGJIJISA-N 2 0 359.480 3.254 20 0 FGADRP CC[NH+]1CCN(Cc2ccc(N[C@@H]3CC[N@H+](C)[C@@H]4CCC[C@@H]43)cc2)CC1 ZINC000552064163 505388129 /nfs/dbraw/zinc/38/81/29/505388129.db2.gz ZNYVNORCVWLBLB-YPAWHYETSA-N 2 0 356.558 3.109 20 0 FGADRP CC[C@@H](C(=O)N1CCC[C@@H]1C[NH+]1CCCCC1)[N@H+](C)Cc1ccccc1 ZINC000564447597 505422391 /nfs/dbraw/zinc/42/23/91/505422391.db2.gz IZNMDYUWFRPTGD-RTWAWAEBSA-N 2 0 357.542 3.374 20 0 FGADRP CSC1(C[NH+]2CCN(c3ccccc3OCC[NH+](C)C)CC2)CCC1 ZINC000558566359 505424843 /nfs/dbraw/zinc/42/48/43/505424843.db2.gz FMEGBOZYERFFFG-UHFFFAOYSA-N 2 0 363.571 3.035 20 0 FGADRP CCC[NH+]1CCN(c2ccccc2CN2CC[C@@H]([NH+]3CCCC3)[C@@H]2C)CC1 ZINC000564497851 505434328 /nfs/dbraw/zinc/43/43/28/505434328.db2.gz MXCGINHGVIBXCY-RBBKRZOGSA-N 2 0 370.585 3.277 20 0 FGADRP Fc1ccc2c(c1)C[C@H]([NH2+]C1CCN(CCc3ccccc3)CC1)CO2 ZINC000561785985 505436572 /nfs/dbraw/zinc/43/65/72/505436572.db2.gz SOOHPQDNQGKVJV-NRFANRHFSA-N 2 0 354.469 3.426 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1ccc2ccn(CC[NH+](C)C)c2c1 ZINC000555560786 505458006 /nfs/dbraw/zinc/45/80/06/505458006.db2.gz MXGHMZKDWGQYPC-QGZVFWFLSA-N 2 0 356.514 3.406 20 0 FGADRP C[N@H+](CCC(=O)NCCc1nccn1Cc1ccccc1)C1CCCCC1 ZINC000558681564 505461990 /nfs/dbraw/zinc/46/19/90/505461990.db2.gz LQWQKWAEKNXLNE-UHFFFAOYSA-N 2 0 368.525 3.245 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000567452939 505468165 /nfs/dbraw/zinc/46/81/65/505468165.db2.gz BCTCMNVWFCMWDC-IERDGZPVSA-N 2 0 364.493 3.322 20 0 FGADRP FC(F)(F)COc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)cn1 ZINC000567641326 505522104 /nfs/dbraw/zinc/52/21/04/505522104.db2.gz VOJJRWWQXCLGJU-OWCLPIDISA-N 2 0 357.420 3.423 20 0 FGADRP Cn1cc(C[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c(-c2ccccc2)n1 ZINC000567645903 505523166 /nfs/dbraw/zinc/52/31/66/505523166.db2.gz IFIXPULZYBNHSX-OFNKIYASSA-N 2 0 374.488 3.433 20 0 FGADRP CCC[N@H+](C)[C@@H](CNC(=O)[C@H]1CCC[NH+]1C1CC1)c1ccc(Cl)cc1 ZINC000552671111 505530639 /nfs/dbraw/zinc/53/06/39/505530639.db2.gz LUFYETKRURJIBS-MOPGFXCFSA-N 2 0 363.933 3.466 20 0 FGADRP CC[C@H](C(=O)NCc1ccc(CC[NH+](C)C)cc1)[N@H+](C)Cc1ccccc1 ZINC000562195379 505537339 /nfs/dbraw/zinc/53/73/39/505537339.db2.gz BUFWATRZUFXAKT-JOCHJYFZSA-N 2 0 367.537 3.318 20 0 FGADRP C[N@@H+]1CCC[C@H](CC[NH2+]C[C@H](O)COc2cc(Cl)ccc2Cl)C1 ZINC000564855217 505540752 /nfs/dbraw/zinc/54/07/52/505540752.db2.gz DPSROQBLNNOAHG-HIFRSBDPSA-N 2 0 361.313 3.055 20 0 FGADRP C[C@H](NC(=O)[C@H](C)[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)c1cc2ccccc2o1 ZINC000564989520 505565758 /nfs/dbraw/zinc/56/57/58/505565758.db2.gz PNFLNWYEBCCLDV-DKKFBQAASA-N 2 0 369.509 3.320 20 0 FGADRP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC000599314021 506409364 /nfs/dbraw/zinc/40/93/64/506409364.db2.gz IGFKMZVTYFVPMP-OPYAIIAOSA-N 2 0 357.542 3.265 20 0 FGADRP Cc1ccc(-c2n[nH]cc2C[NH+]2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)cc1 ZINC000582833054 506445740 /nfs/dbraw/zinc/44/57/40/506445740.db2.gz FYXXXJUGSNZZFG-VQTJNVASSA-N 2 0 354.498 3.103 20 0 FGADRP Cc1ccccc1C[N@H+]1CCCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC000608352440 506521112 /nfs/dbraw/zinc/52/11/12/506521112.db2.gz XBVKIYCFWKPWCL-HXUWFJFHSA-N 2 0 357.542 3.294 20 0 FGADRP C[C@H](C(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)[NH+]1CCCCCC1 ZINC000608357727 506524134 /nfs/dbraw/zinc/52/41/34/506524134.db2.gz GELDYTBPCUQUDF-TZIWHRDSSA-N 2 0 357.542 3.279 20 0 FGADRP COc1cncc(/C=C\CC[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)c1 ZINC000583022492 506545680 /nfs/dbraw/zinc/54/56/80/506545680.db2.gz OJHYJLSGCYRJDL-DJWKRKHSSA-N 2 0 373.541 3.318 20 0 FGADRP CN(C)c1ccccc1C[NH2+]CCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000589639421 506615090 /nfs/dbraw/zinc/61/50/90/506615090.db2.gz HXBBOVJHVLRGEV-UHFFFAOYSA-N 2 0 366.553 3.050 20 0 FGADRP CC[NH+](Cc1ccccc1C[N@H+](CC)C[C@H]1CCOC1)C[C@@H]1CCOC1 ZINC000604053810 506699702 /nfs/dbraw/zinc/69/97/02/506699702.db2.gz UKPIKLSCTYOQQL-BGYRXZFFSA-N 2 0 360.542 3.403 20 0 FGADRP CC1CC[NH+](CCCNC(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000604081386 506707068 /nfs/dbraw/zinc/70/70/68/506707068.db2.gz QYYQHZWSIMTJAF-NRFANRHFSA-N 2 0 372.557 3.072 20 0 FGADRP CCc1ccc([C@@H]2C[NH2+]CCN2C(=O)CC[C@H]([NH3+])c2ccccc2)cc1 ZINC000583311695 506710463 /nfs/dbraw/zinc/71/04/63/506710463.db2.gz GBLREYLRYPNJJO-SFTDATJTSA-N 2 0 351.494 3.202 20 0 FGADRP C[C@H](C[NH+]1CCCCC1)NC(=O)N[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000604170464 506733923 /nfs/dbraw/zinc/73/39/23/506733923.db2.gz CDNMUMKRSNZYPA-CTNGQTDRSA-N 2 0 372.557 3.387 20 0 FGADRP O=C(NCc1ccc(C[NH+]2CCCCCC2)cc1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000604185206 506740827 /nfs/dbraw/zinc/74/08/27/506740827.db2.gz QUCPVRYPPIFTJE-FQEVSTJZSA-N 2 0 370.541 3.099 20 0 FGADRP O=C(CN1CC[C@@]2(C1)CCC[NH2+]C2)N[C@H](c1ccc(F)cc1)C1CCCC1 ZINC000583441282 506779811 /nfs/dbraw/zinc/77/98/11/506779811.db2.gz UYTCLMFQDDUJRR-VXKWHMMOSA-N 2 0 373.516 3.249 20 0 FGADRP O=C1[C@@H]([N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)CCN1c1ccc(Cl)c(Cl)c1 ZINC000583441381 506782314 /nfs/dbraw/zinc/78/23/14/506782314.db2.gz YTLGIVCGBHAJOJ-AHIWAGSCSA-N 2 0 368.308 3.030 20 0 FGADRP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](CCc3cccc(C(F)(F)F)c3)C2)CC1 ZINC000600121496 506787431 /nfs/dbraw/zinc/78/74/31/506787431.db2.gz VEIFCIQINDVULY-LJQANCHMSA-N 2 0 369.475 3.348 20 0 FGADRP O=C([C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000593829961 506793772 /nfs/dbraw/zinc/79/37/72/506793772.db2.gz GKBVTUCANHYHOK-CTNGQTDRSA-N 2 0 373.516 3.125 20 0 FGADRP O=C([C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000593829989 506793820 /nfs/dbraw/zinc/79/38/20/506793820.db2.gz GKBVTUCANHYHOK-TZIWHRDSSA-N 2 0 373.516 3.125 20 0 FGADRP CCOC(=O)c1ccn(-c2cccc(C[NH2+][C@@H]3CC[N@H+](C)C(C)(C)C3)c2)n1 ZINC000600166269 506818576 /nfs/dbraw/zinc/81/85/76/506818576.db2.gz LAJOCQQZFRQRHU-QGZVFWFLSA-N 2 0 370.497 3.011 20 0 FGADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CC[C@@H](C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000600197590 506838469 /nfs/dbraw/zinc/83/84/69/506838469.db2.gz SABUGFIMPWVXFZ-DNVCBOLYSA-N 2 0 370.497 3.375 20 0 FGADRP CC(C)C[C@H](CNC(=O)N[C@@H]1CC12CC[NH2+]CC2)[NH2+][C@@H](C)c1ccccc1 ZINC000612977722 506848516 /nfs/dbraw/zinc/84/85/16/506848516.db2.gz PNISTXKERRESBC-DFQSSKMNSA-N 2 0 372.557 3.193 20 0 FGADRP O=C([C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000593963854 506854115 /nfs/dbraw/zinc/85/41/15/506854115.db2.gz FCAWMEJRTLRMDG-TZIWHRDSSA-N 2 0 373.516 3.125 20 0 FGADRP C[NH+](C)CC[C@H](NC(=O)NC[C@@H](c1ccsc1)[NH+](C)C)C(C)(C)C ZINC000604776304 506938240 /nfs/dbraw/zinc/93/82/40/506938240.db2.gz DAZBESNWFAYLOF-HOTGVXAUSA-N 2 0 354.564 3.016 20 0 FGADRP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)C1 ZINC000604780682 506941406 /nfs/dbraw/zinc/94/14/06/506941406.db2.gz XAGDKDOYUUCYGX-GUDVDZBRSA-N 2 0 368.610 3.410 20 0 FGADRP C[NH+](C)CC[C@H](NC(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C)C(C)(C)C ZINC000604788244 506942547 /nfs/dbraw/zinc/94/25/47/506942547.db2.gz NMACIIUARKTPHW-ROUUACIJSA-N 2 0 366.525 3.094 20 0 FGADRP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000604815944 506953931 /nfs/dbraw/zinc/95/39/31/506953931.db2.gz BOACZZVPXSMVRJ-XMTFNYHQSA-N 2 0 354.583 3.018 20 0 FGADRP C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000583806712 506983785 /nfs/dbraw/zinc/98/37/85/506983785.db2.gz SRXOHNZLHDHGCM-CBBWQLFWSA-N 2 0 369.431 3.400 20 0 FGADRP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000583820045 506991434 /nfs/dbraw/zinc/99/14/34/506991434.db2.gz URDWSYCFLSHULW-OAHLLOKOSA-N 2 0 370.472 3.113 20 0 FGADRP CC[C@H]1CCC[N@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000604998872 507027153 /nfs/dbraw/zinc/02/71/53/507027153.db2.gz JWHXQNVAQSETEL-IBGZPJMESA-N 2 0 357.542 3.411 20 0 FGADRP C[C@@H]([C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+](C)CCCNC(=O)C1CCC1 ZINC000583961964 507071991 /nfs/dbraw/zinc/07/19/91/507071991.db2.gz YSPQYWFNGGBDIB-GHTZIAJQSA-N 2 0 357.542 3.135 20 0 FGADRP CCCC[N@H+](C)CC1CCN(C(=O)NCC[NH+]2[C@@H](C)CCC[C@@H]2C)CC1 ZINC000594310435 507073556 /nfs/dbraw/zinc/07/35/56/507073556.db2.gz FJHJUTVSVAUZDT-OALUTQOASA-N 2 0 366.594 3.403 20 0 FGADRP CC(C)[N@H+](C)CC(=O)NC[C@H]1CCCCN1Cc1cccc(Cl)c1 ZINC000597867252 507142994 /nfs/dbraw/zinc/14/29/94/507142994.db2.gz ICCDVDIDVAOGRK-GOSISDBHSA-N 2 0 351.922 3.151 20 0 FGADRP Cc1cnc(CC[NH+]2CCC(CC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)c(C)c1 ZINC000584169968 507192114 /nfs/dbraw/zinc/19/21/14/507192114.db2.gz SRRBRWBLMOUQQJ-WOJBJXKFSA-N 2 0 359.558 3.452 20 0 FGADRP CC[C@H](C[NH+]1CCCC1)NC(=O)[C@H](C)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000605518994 507228797 /nfs/dbraw/zinc/22/87/97/507228797.db2.gz QCGCQPNAVPWFCC-SIKLNZKXSA-N 2 0 371.569 3.320 20 0 FGADRP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)NCCCC[NH+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000591559097 507291965 /nfs/dbraw/zinc/29/19/65/507291965.db2.gz GZAULUWIKRKENY-ZCNNSNEGSA-N 2 0 366.594 3.164 20 0 FGADRP C[C@@H](C[NH2+]Cc1ccc(N(C)c2ccccc2)cc1)N1CC[NH+](C)CC1 ZINC000591714650 507337285 /nfs/dbraw/zinc/33/72/85/507337285.db2.gz MXOPSFPYGTZLGL-IBGZPJMESA-N 2 0 352.526 3.180 20 0 FGADRP C[C@@H](NC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1)C1CC[NH+](C)CC1 ZINC000606627263 507457162 /nfs/dbraw/zinc/45/71/62/507457162.db2.gz DUGQUGQYDOYVEN-GOSISDBHSA-N 2 0 372.557 3.202 20 0 FGADRP C[C@@H]([NH3+])C1CCN(C(=O)NCC2([NH2+][C@@H](C)c3ccccc3)CCCC2)CC1 ZINC000584710137 507464352 /nfs/dbraw/zinc/46/43/52/507464352.db2.gz KDRKMHCLVSMUDG-MSOLQXFVSA-N 2 0 372.557 3.419 20 0 FGADRP C[C@@H]([NH3+])C1CCN(C(=O)NCC2([NH2+][C@H](C)c3ccccc3)CCCC2)CC1 ZINC000584710138 507464794 /nfs/dbraw/zinc/46/47/94/507464794.db2.gz KDRKMHCLVSMUDG-QZTJIDSGSA-N 2 0 372.557 3.419 20 0 FGADRP COC(=O)c1cc(C[NH2+]Cc2ccc(F)c(C[NH+](C)C)c2)n2c1CCCC2 ZINC000598633729 507524693 /nfs/dbraw/zinc/52/46/93/507524693.db2.gz MTKHCQUKWVGGMD-UHFFFAOYSA-N 2 0 373.472 3.102 20 0 FGADRP C[C@H]1CC[N@H+](C)CCN1C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)CC1(C)C ZINC000584852406 507541802 /nfs/dbraw/zinc/54/18/02/507541802.db2.gz DGEJRZYRKRGMGD-AZUAARDMSA-N 2 0 372.557 3.023 20 0 FGADRP CCc1ccc([C@H](NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)C(C)C)cc1 ZINC000607227660 507659522 /nfs/dbraw/zinc/65/95/22/507659522.db2.gz ZPHRJYYVEKJZME-HXUWFJFHSA-N 2 0 362.562 3.081 20 0 FGADRP CCOC(=O)C1([C@H](C)[NH2+]C2(c3ccccc3Cl)CC2)CC[NH2+]CC1 ZINC000592470699 507670161 /nfs/dbraw/zinc/67/01/61/507670161.db2.gz DLDRSYVFAYKLPT-AWEZNQCLSA-N 2 0 350.890 3.240 20 0 FGADRP COC(=O)c1csc(-c2cccc(C[NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@@H]4C3)c2)n1 ZINC000592470843 507670340 /nfs/dbraw/zinc/67/03/40/507670340.db2.gz MCAUUOFGGKKGEL-IXDOHACOSA-N 2 0 371.506 3.074 20 0 FGADRP CC[NH+](CC)Cc1ccccc1CNC(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000592479226 507672437 /nfs/dbraw/zinc/67/24/37/507672437.db2.gz QTLFMDYJNJIPCH-FQEVSTJZSA-N 2 0 372.557 3.345 20 0 FGADRP CC(C)[NH+]1CCN([C@H]2CC[N@H+](Cc3ccccc3CC(F)(F)F)C2)CC1 ZINC000602487311 507724122 /nfs/dbraw/zinc/72/41/22/507724122.db2.gz WULBWGQQTNVWAB-IBGZPJMESA-N 2 0 369.475 3.392 20 0 FGADRP C[NH+](C)CC[C@@H]([NH2+][C@H]1CCCc2cc(-c3nn[nH]n3)ccc21)C(C)(C)C ZINC000825859527 608512196 /nfs/dbraw/zinc/51/21/96/608512196.db2.gz GKDUAPISCVEZRD-ZWKOTPCHSA-N 2 0 356.518 3.200 20 0 FGADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=S)Nc1ccc(F)c(Cl)c1 ZINC000007526432 695571401 /nfs/dbraw/zinc/57/14/01/695571401.db2.gz HSESPHZBDIARME-UHFFFAOYSA-N 2 0 374.957 3.381 20 0 FGADRP C[C@@](O)(C[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1)c1ccsc1 ZINC000077460739 700252794 /nfs/dbraw/zinc/25/27/94/700252794.db2.gz UOVDPQNNIAGZHN-HXUWFJFHSA-N 2 0 360.523 3.220 20 0 FGADRP C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]C[C@@H](C1CC1)N(C)C ZINC000121043393 700664413 /nfs/dbraw/zinc/66/44/13/700664413.db2.gz IFPFTDBGSATJDR-LRDDRELGSA-N 2 0 357.420 3.352 20 0 FGADRP O[C@@H](C[NH2+]C1CC[NH+](CC2CC2)CC1)c1ccc(OC(F)(F)F)cc1 ZINC000125586178 700737597 /nfs/dbraw/zinc/73/75/97/700737597.db2.gz SOHMLXAKLTXHML-KRWDZBQOSA-N 2 0 358.404 3.083 20 0 FGADRP C[C@H](CC(=O)Nc1cccnc1Cl)[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C ZINC000125858204 700740751 /nfs/dbraw/zinc/74/07/51/700740751.db2.gz JINKHVLOVXMBPU-HIFRSBDPSA-N 2 0 354.926 3.408 20 0 FGADRP C[C@H]([NH2+][C@@H]1CCN(c2ccccc2OC(F)F)C1)C1CC[NH+](C)CC1 ZINC000128062915 700770338 /nfs/dbraw/zinc/77/03/38/700770338.db2.gz DAJNDULXDZITAE-GOEBONIOSA-N 2 0 353.457 3.187 20 0 FGADRP CC(C)(C)OC(=O)NC1(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CCCCC1 ZINC000166429287 705344413 /nfs/dbraw/zinc/34/44/13/705344413.db2.gz QTPPFBGQMSWFLZ-IAGOWNOFSA-N 2 0 351.535 3.430 20 0 FGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]CCCCCCO)CC1 ZINC000181643821 705802719 /nfs/dbraw/zinc/80/27/19/705802719.db2.gz LFTDYMFOMCZCMP-KRWDZBQOSA-N 2 0 351.510 3.171 20 0 FGADRP C[NH+](C)CC1(C[NH2+]C[C@]2(C)CCN(C(=O)OC(C)(C)C)C2)CCCC1 ZINC000195223873 713549779 /nfs/dbraw/zinc/54/97/79/713549779.db2.gz AXKSUSHRBZIRKQ-IBGZPJMESA-N 2 0 353.551 3.345 20 0 FGADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](C)C[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000246581897 713626708 /nfs/dbraw/zinc/62/67/08/713626708.db2.gz SEWJCYSOFRLGNC-KURKYZTESA-N 2 0 353.551 3.486 20 0 FGADRP C[C@H](CC(=O)Nc1cccnc1Cl)[NH2+]CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000246991741 713633931 /nfs/dbraw/zinc/63/39/31/713633931.db2.gz KFGXMGBPUXURKB-OWCLPIDISA-N 2 0 366.937 3.410 20 0 FGADRP Brc1cccc(OCC[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000252416940 713673030 /nfs/dbraw/zinc/67/30/30/713673030.db2.gz PHMKQTVZZCYKGA-RHSMWYFYSA-N 2 0 353.304 3.292 20 0 FGADRP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000322839818 713813520 /nfs/dbraw/zinc/81/35/20/713813520.db2.gz JMJXLCPMUTYTBE-QCLGFWRNSA-N 2 0 351.535 3.379 20 0 FGADRP Cc1cc(Br)ccc1[C@H](C)[NH2+]CCCN1CC[NH+](C)CC1 ZINC000641773069 717928775 /nfs/dbraw/zinc/92/87/75/717928775.db2.gz XCSGPLSCOBVKHL-HNNXBMFYSA-N 2 0 354.336 3.046 20 0 FGADRP C[C@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1cc(Br)cs1 ZINC000365889247 713858907 /nfs/dbraw/zinc/85/89/07/713858907.db2.gz SWHBFYNKAJAJDX-GXTWGEPZSA-N 2 0 372.376 3.330 20 0 FGADRP C[NH+]1CCC2(CCC[N@@H+]2CC2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000374325399 713913922 /nfs/dbraw/zinc/91/39/22/713913922.db2.gz PENYKGUFBHJPBK-UHFFFAOYSA-N 2 0 351.535 3.194 20 0 FGADRP CC1CC[NH+](CCC[NH2+][C@H]2CCC[C@@H]2CNC(=O)OC(C)(C)C)CC1 ZINC000384457566 713982125 /nfs/dbraw/zinc/98/21/25/713982125.db2.gz ZINOEYSWLKWZAW-MSOLQXFVSA-N 2 0 353.551 3.391 20 0 FGADRP CC(C)[N@@H+]1CC[C@@H](C[NH2+][C@H](C)C[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000384462085 713982143 /nfs/dbraw/zinc/98/21/43/713982143.db2.gz BAXBERLKXYAXQN-SQNIBIBYSA-N 2 0 353.551 3.484 20 0 FGADRP C[C@@H]([NH2+]C[C@@H](O)COc1ccc(Cl)cc1Cl)C1CC[NH+](C)CC1 ZINC000396450850 713991374 /nfs/dbraw/zinc/99/13/74/713991374.db2.gz IWTXSDIHPOOAEU-IUODEOHRSA-N 2 0 361.313 3.053 20 0 FGADRP C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000414927966 714005991 /nfs/dbraw/zinc/00/59/91/714005991.db2.gz PQPOXGWTENHRRY-OSAQELSMSA-N 2 0 354.292 3.026 20 0 FGADRP CC(C)[NH+]1CCC(N2CC[NH+](CCOC3CCCCCC3)CC2)CC1 ZINC000441056631 714029903 /nfs/dbraw/zinc/02/99/03/714029903.db2.gz ZAXAUITXWIXAFE-UHFFFAOYSA-N 2 0 351.579 3.216 20 0 FGADRP C(CC[NH+]1CCC[C@@H]2COCC[C@H]21)CC[N@@H+]1CCC[C@@H]2COCC[C@@H]21 ZINC000464860417 714074775 /nfs/dbraw/zinc/07/47/75/714074775.db2.gz ZXGDYQIXNJBTQO-NCYKPQTJSA-N 2 0 350.547 3.159 20 0 FGADRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCC[NH+](C)C2CCCCC2)C1 ZINC000522430529 714188377 /nfs/dbraw/zinc/18/83/77/714188377.db2.gz BXUCSWWKNQNUKL-QGZVFWFLSA-N 2 0 352.567 3.061 20 0 FGADRP Cc1cc(NCC[NH+]2CCSCC2)c2cc(OC(F)F)ccc2[nH+]1 ZINC000524839930 714304671 /nfs/dbraw/zinc/30/46/71/714304671.db2.gz HCOZGBGPVDCIFL-UHFFFAOYSA-N 2 0 353.438 3.027 20 0 FGADRP C[N@@H+](Cc1ccc(I)cc1)C[C@@H]1CCC[NH+](C)C1 ZINC000525274798 714339071 /nfs/dbraw/zinc/33/90/71/714339071.db2.gz KVGPHHSPJFRLTE-CQSZACIVSA-N 2 0 358.267 3.065 20 0 FGADRP Cc1ccc(Cl)c(OC[C@@H](O)C[NH2+]C2CC[NH+](C3CCCC3)CC2)c1 ZINC000562992736 714438649 /nfs/dbraw/zinc/43/86/49/714438649.db2.gz WXUNOZDTJRPVBJ-SFHVURJKSA-N 2 0 366.933 3.385 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N1CCC[C@H](C[NH3+])C1)c1ccccc1Cl ZINC000577831376 714470111 /nfs/dbraw/zinc/47/01/11/714470111.db2.gz CUCQVQJXSNGEQV-CRAIPNDOSA-N 2 0 366.937 3.103 20 0 FGADRP C[NH+](C)[C@H](CNC(=O)N1CC[NH+](CCC(C)(C)C)CC1)c1cccs1 ZINC000615616427 714539278 /nfs/dbraw/zinc/53/92/78/714539278.db2.gz RNYBARVJGISPPO-MRXNPFEDSA-N 2 0 366.575 3.114 20 0 FGADRP C[C@@H](CNC(=O)NCC1([NH+](C)C)CCCCCC1)C[NH+]1CCCCC1 ZINC000615775896 714549131 /nfs/dbraw/zinc/54/91/31/714549131.db2.gz OSGORAVNSGITTE-SFHVURJKSA-N 2 0 352.567 3.062 20 0 FGADRP COc1cc(CN[C@@H]2CC[N@H+](C)C(C)(C)C2)cc(Br)c1OC ZINC000623404733 715329003 /nfs/dbraw/zinc/32/90/03/715329003.db2.gz IUZWJVJNWWYSOE-CYBMUJFWSA-N 2 0 371.319 3.429 20 0 FGADRP CC(C)(C)[NH+]1CCC([NH2+]C[C@H]2CN(c3ccc(Cl)cc3)CCO2)CC1 ZINC000624118282 715475822 /nfs/dbraw/zinc/47/58/22/715475822.db2.gz DHROZYMGRFAIJS-IBGZPJMESA-N 2 0 365.949 3.398 20 0 FGADRP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CN(c3ccc(Cl)cc3)CCO2)[C@@H]2CCC[C@H]21 ZINC000624119907 715476400 /nfs/dbraw/zinc/47/64/00/715476400.db2.gz MDPCWBKNHQTFMF-FUMNGEBKSA-N 2 0 363.933 3.008 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1oc(C(F)F)cc1C ZINC000625022773 715644109 /nfs/dbraw/zinc/64/41/09/715644109.db2.gz BMBBFSXLXGZJDW-CQSZACIVSA-N 2 0 357.445 3.014 20 0 FGADRP C[C@@H]1C[NH+](CCOCC[NH+]2C[C@H](C)C(F)(F)[C@@H](C)C2)C[C@@H](C)C1(F)F ZINC000625654781 715767544 /nfs/dbraw/zinc/76/75/44/715767544.db2.gz QUKODWIPQUXHOZ-RUPPMWDTSA-N 2 0 368.459 3.449 20 0 FGADRP C[NH+](C)C[C@@H](NC(=O)N[C@@H]1CCC[NH2+]CC1)c1ccc(Cl)c(Cl)c1 ZINC000627086161 715994592 /nfs/dbraw/zinc/99/45/92/715994592.db2.gz JKSMQLWKQLXYNO-CZUORRHYSA-N 2 0 373.328 3.037 20 0 FGADRP C[C@H](C[C@H](C)[NH3+])NC(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000627108512 715997710 /nfs/dbraw/zinc/99/77/10/715997710.db2.gz VGJUGLJPKUQGPF-FIXISWKDSA-N 2 0 361.317 3.021 20 0 FGADRP C[C@@H]1C[C@@H](c2ccc(Br)cc2)C[N@@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000629581892 716311639 /nfs/dbraw/zinc/31/16/39/716311639.db2.gz JCERFUHWUOYLOA-UNEWFSDZSA-N 2 0 365.315 3.148 20 0 FGADRP COCCc1ncc(C[NH2+]CC2CC[NH+](Cc3cccs3)CC2)s1 ZINC000631056432 716556173 /nfs/dbraw/zinc/55/61/73/716556173.db2.gz JPCMSYTTZMFPRZ-UHFFFAOYSA-N 2 0 365.568 3.395 20 0 FGADRP C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+][C@H]1CC[C@H](C[NH3+])CC1 ZINC000635007587 717139584 /nfs/dbraw/zinc/13/95/84/717139584.db2.gz RJIQTIDPEHXUQJ-BFYDXBDKSA-N 2 0 351.922 3.184 20 0 FGADRP C[N@@H+]1CCC[C@H](CNC(=O)C23CCC[NH+](CCC2)C3)[C@H]1c1cccs1 ZINC000635602413 717180796 /nfs/dbraw/zinc/18/07/96/717180796.db2.gz GYCQDNXTNWTTDN-AEFFLSMTSA-N 2 0 361.555 3.123 20 0 FGADRP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2Cc1ccc(CC(F)(F)F)cc1 ZINC000638178078 717416990 /nfs/dbraw/zinc/41/69/90/717416990.db2.gz FAKHYBNLVXRJKH-SQNIBIBYSA-N 2 0 356.432 3.475 20 0 FGADRP C[C@H]([NH2+]Cc1ccc(OCC[NH+](C)C)cc1)[C@@H]1OCCc2sccc21 ZINC000644446187 718112736 /nfs/dbraw/zinc/11/27/36/718112736.db2.gz KHMYRUQENAHKHP-YWZLYKJASA-N 2 0 360.523 3.481 20 0 FGADRP C[NH+](C)CCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)CC(C)(C)[NH3+] ZINC000645745636 718238699 /nfs/dbraw/zinc/23/86/99/718238699.db2.gz FEUNDMRHAJMAJT-UHFFFAOYSA-N 2 0 360.329 3.401 20 0 FGADRP COc1cc(C[NH2+]Cc2ccc(C[NH3+])cc2)ccc1OCC(F)(F)F ZINC000647553219 718367389 /nfs/dbraw/zinc/36/73/89/718367389.db2.gz JXLMFCKYFWOORQ-UHFFFAOYSA-N 2 0 354.372 3.385 20 0 FGADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2cc3cc(Cl)cnc3o2)C1 ZINC000648379246 718420689 /nfs/dbraw/zinc/42/06/89/718420689.db2.gz WTHVQXDFDRMXCA-INIZCTEOSA-N 2 0 351.878 3.414 20 0 FGADRP COC1CC[NH+](CCNC2CC[NH+](C(C)(C)CC(C)(C)C)CC2)CC1 ZINC000648500177 718432388 /nfs/dbraw/zinc/43/23/88/718432388.db2.gz NWWXFWVHBJDXRR-UHFFFAOYSA-N 2 0 353.595 3.366 20 0 FGADRP [NH3+][C@H](C(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1)c1cccc(Cl)c1 ZINC000649320318 718503972 /nfs/dbraw/zinc/50/39/72/718503972.db2.gz VBNSVKQSVDSJDY-LPHOPBHVSA-N 2 0 363.933 3.454 20 0 FGADRP C[C@H]1CC[NH2+][C@@H](C(=O)NCC2CC[NH+](Cc3ccccc3Cl)CC2)C1 ZINC000649323972 718504079 /nfs/dbraw/zinc/50/40/79/718504079.db2.gz BPEOVMURUKQABO-HNAYVOBHSA-N 2 0 363.933 3.056 20 0 FGADRP C[C@@H]1OCC[C@@]1(C)[NH2+]Cc1cc(C[NH2+][C@@]2(C)CCO[C@H]2C)ccc1F ZINC000649489581 718520449 /nfs/dbraw/zinc/52/04/49/718520449.db2.gz SZLVPVJXVOULNY-HZVDNRATSA-N 2 0 350.478 3.140 20 0 FGADRP COc1cc(C[N@@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)cc(Cl)c1OC ZINC000650705364 718716530 /nfs/dbraw/zinc/71/65/30/718716530.db2.gz FKGVDJNUOKZWAV-YQQAZPJKSA-N 2 0 368.905 3.076 20 0 FGADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@H+](Cc3ccc(Br)s3)C2)C1 ZINC000650706372 718716934 /nfs/dbraw/zinc/71/69/34/718716934.db2.gz JMHHCIPJOLMINJ-BZPMIXESSA-N 2 0 359.333 3.229 20 0 FGADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@H+](Cc3ccc(OC(F)F)c(F)c3)C2)C1 ZINC000650707380 718717679 /nfs/dbraw/zinc/71/76/79/718717679.db2.gz DVZLFYOCROEYFY-CPUCHLNUSA-N 2 0 358.404 3.145 20 0 FGADRP C[C@@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+]CCC1(C[NH3+])CC1 ZINC000650713563 718718728 /nfs/dbraw/zinc/71/87/28/718718728.db2.gz WPNFNPIGGXUUQN-LBPRGKRZSA-N 2 0 359.392 3.021 20 0 FGADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2Cc2ccc(Br)cc2)C1 ZINC000650722279 718719982 /nfs/dbraw/zinc/71/99/82/718719982.db2.gz OPTOVPSALDWHMB-ZACQAIPSSA-N 2 0 353.304 3.310 20 0 FGADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2Cc2cccc(O)c2Br)C1 ZINC000650725293 718721291 /nfs/dbraw/zinc/72/12/91/718721291.db2.gz XQGSKZXEDANDLL-YCPHGPKFSA-N 2 0 369.303 3.016 20 0 FGADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1coc2ccc(Cl)cc12 ZINC000651327992 718796792 /nfs/dbraw/zinc/79/67/92/718796792.db2.gz NXENDMMMDQSEBJ-UHFFFAOYSA-N 2 0 365.905 3.432 20 0 FGADRP C[NH+]1CCC(N2CC[C@@H]([NH2+][C@H]3CCc4ccc(F)c(Cl)c43)C2)CC1 ZINC000651709095 718853680 /nfs/dbraw/zinc/85/36/80/718853680.db2.gz KLXQTIHKHPIYQL-PBHICJAKSA-N 2 0 351.897 3.225 20 0 FGADRP CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+]CCC[N@H+](C)CC(C)C)cc1 ZINC000652222351 718924051 /nfs/dbraw/zinc/92/40/51/718924051.db2.gz LVYTZAXCEBJWFM-MRXNPFEDSA-N 2 0 355.548 3.077 20 0 FGADRP CSc1ccc(OCC[N@@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)cc1 ZINC000652348513 718935315 /nfs/dbraw/zinc/93/53/15/718935315.db2.gz GZLYHGVSGLYRSQ-FRQCXROJSA-N 2 0 350.528 3.006 20 0 FGADRP C[C@](C[NH3+])(NC(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1)C1CC1 ZINC000652612826 718966019 /nfs/dbraw/zinc/96/60/19/718966019.db2.gz CKINSIGWLAWDRX-LJQANCHMSA-N 2 0 362.543 3.123 20 0 FGADRP O=C([C@H]1CCC[NH2+]CC1)N(CC[NH+]1CCCC1)Cc1ccc(Cl)cc1 ZINC000653149826 719017426 /nfs/dbraw/zinc/01/74/26/719017426.db2.gz HSMKZWMZGGGRAG-SFHVURJKSA-N 2 0 363.933 3.154 20 0 FGADRP C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+]CC1([NH3+])CCCC1 ZINC000656789675 719471278 /nfs/dbraw/zinc/47/12/78/719471278.db2.gz VDGLROTVOJCGQN-GFCCVEGCSA-N 2 0 354.292 3.027 20 0 FGADRP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+]Cc3cnc(C4CCC4)s3)cc2)C1 ZINC000657597696 719681430 /nfs/dbraw/zinc/68/14/30/719681430.db2.gz WSTXROMTSQREGK-GOSISDBHSA-N 2 0 357.523 3.267 20 0 FGADRP C[C@@H]1C[NH+](CCCCCCCCC[N@@H+]2CC[C@H](O)[C@@H](C)C2)CC[C@@H]1O ZINC000781919977 724612804 /nfs/dbraw/zinc/61/28/04/724612804.db2.gz UDELBJLKNJMSQB-WOZUAGRISA-N 2 0 354.579 3.123 20 0 FGADRP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]CC(C)(C)[C@]3(O)CCCOC3)CC2)C1 ZINC000658313070 719784401 /nfs/dbraw/zinc/78/44/01/719784401.db2.gz WQUBIBSOKSUIRG-QFUCXCTJSA-N 2 0 352.563 3.187 20 0 FGADRP CN(C)c1cc[nH+]c(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)c1 ZINC001164694881 719892130 /nfs/dbraw/zinc/89/21/30/719892130.db2.gz GTKLWGDHYBAEFV-UHFFFAOYSA-N 2 0 372.538 3.081 20 0 FGADRP CC(C)[C@H]([NH3+])CCNC(=O)NC[C@@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000659427382 719912784 /nfs/dbraw/zinc/91/27/84/719912784.db2.gz MKLYEQNHDXOJQA-SJORKVTESA-N 2 0 366.575 3.194 20 0 FGADRP O=C1Nc2ccccc2S[C@H]1CC[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000659946029 719962005 /nfs/dbraw/zinc/96/20/05/719962005.db2.gz YUNFUIZFOXQARZ-APWZRJJASA-N 2 0 359.539 3.440 20 0 FGADRP C[N@H+](CC1CC1)C[C@H]1CC[NH+](CC[C@H]2Sc3ccccc3NC2=O)C1 ZINC000659979905 719967087 /nfs/dbraw/zinc/96/70/87/719967087.db2.gz YUJONOCLRYQJQX-VQIMIIECSA-N 2 0 359.539 3.153 20 0 FGADRP Clc1ccc(O[C@@H]2CCC[N@H+](C[C@@H]3CCC4(C[NH2+]C4)O3)C2)cc1Cl ZINC000662257479 720405288 /nfs/dbraw/zinc/40/52/88/720405288.db2.gz CZWRCBZHBYTPDY-CABCVRRESA-N 2 0 371.308 3.358 20 0 FGADRP Brc1ccccc1[C@@H]1CCC[N@@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662258505 720405981 /nfs/dbraw/zinc/40/59/81/720405981.db2.gz JFULEXXAETWTPD-BBRMVZONSA-N 2 0 351.288 3.107 20 0 FGADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@H+](Cc3cc(F)ccc3OC(F)F)C2)C1 ZINC000662286866 720410047 /nfs/dbraw/zinc/41/00/47/720410047.db2.gz STDNGKOQSSZBKY-XGWLTEMNSA-N 2 0 358.404 3.145 20 0 FGADRP O=C(c1cc2c(s1)CC[NH2+]C2)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000662444288 720428928 /nfs/dbraw/zinc/42/89/28/720428928.db2.gz HOGYZWSWEIPUDS-INIZCTEOSA-N 2 0 361.555 3.122 20 0 FGADRP C[N@@H+]1CCC[C@@H](CNC(=O)c2cccc3c2C[NH2+]C3)[C@@H]1c1cccs1 ZINC000662474070 720432322 /nfs/dbraw/zinc/43/23/22/720432322.db2.gz RYWNGVVWLARIPY-HNAYVOBHSA-N 2 0 355.507 3.164 20 0 FGADRP C[NH2+]CCCC(=O)N1CCC([NH2+]Cc2c(Cl)cccc2Cl)CC1 ZINC000663502156 720520294 /nfs/dbraw/zinc/52/02/94/720520294.db2.gz CTQDDBCOOCNFMK-UHFFFAOYSA-N 2 0 358.313 3.074 20 0 FGADRP C[NH2+]CCCC(=O)N1CCC([NH2+][C@H](C)c2ccc(Cl)c(F)c2)CC1 ZINC000665287213 720749996 /nfs/dbraw/zinc/74/99/96/720749996.db2.gz FKRBHKFDNWFXJH-CYBMUJFWSA-N 2 0 355.885 3.120 20 0 FGADRP C[NH2+]CCCC(=O)N1CCC([NH2+][C@H](CC(C)C)c2cccs2)CC1 ZINC000665287758 720750713 /nfs/dbraw/zinc/75/07/13/720750713.db2.gz TUEDJPSIDDHCTP-QGZVFWFLSA-N 2 0 351.560 3.416 20 0 FGADRP Cc1c(Br)cncc1C[N@H+]1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000668169327 721249359 /nfs/dbraw/zinc/24/93/59/721249359.db2.gz OCKKMECASKMIOL-HNNXBMFYSA-N 2 0 352.320 3.316 20 0 FGADRP C[C@H]1CC[C@@H](NC2CC[NH+](C(C)(C)CC(C)(C)C)CC2)CS1(=O)=O ZINC000668562905 721311605 /nfs/dbraw/zinc/31/16/05/721311605.db2.gz RVYQLPNRQFXBIH-DOTOQJQBSA-N 2 0 358.592 3.221 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@H](CO)c2ccc(Cl)cc2)[C@@H](C)C1 ZINC000672620769 721639508 /nfs/dbraw/zinc/63/95/08/721639508.db2.gz RNUDOZGSMZTFND-HQRMLTQVSA-N 2 0 368.949 3.143 20 0 FGADRP C[C@H]([NH2+]C1CCN(CC(F)F)CC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000675791897 721774528 /nfs/dbraw/zinc/77/45/28/721774528.db2.gz HUDMZNSRHUUXCE-HNNXBMFYSA-N 2 0 355.473 3.007 20 0 FGADRP O=C(C[NH+]1CCC2(CC2)CC1)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000677718147 721911219 /nfs/dbraw/zinc/91/12/19/721911219.db2.gz XUVYLLVEEYEWRH-UHFFFAOYSA-N 2 0 359.539 3.050 20 0 FGADRP c1cc(N2CCCC[C@H]2CC[NH+]2CCCC2)ncc1OCC1CC[NH2+]CC1 ZINC001165049192 721978561 /nfs/dbraw/zinc/97/85/61/721978561.db2.gz IDLKKKSUUAUOIO-FQEVSTJZSA-N 2 0 372.557 3.305 20 0 FGADRP C[C@@H](C[NH2+]CC(C)(C)N1CC[NH+](C)CC1)c1ccc(C(F)(F)F)cc1 ZINC000685421230 722384144 /nfs/dbraw/zinc/38/41/44/722384144.db2.gz HSIBIWMQHXPQAY-HNNXBMFYSA-N 2 0 357.464 3.425 20 0 FGADRP CC[NH+]1CCC([NH2+]CC2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)CC1 ZINC000720623057 722419396 /nfs/dbraw/zinc/41/93/96/722419396.db2.gz PXBXDYUFMQQUHH-ZNXRZULTSA-N 2 0 351.535 3.238 20 0 FGADRP CC(C)[NH+]1CCC([N@H+](C)CC2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000726601881 722436419 /nfs/dbraw/zinc/43/64/19/722436419.db2.gz SWVNLDJKGMFRNK-UHFFFAOYSA-N 2 0 353.551 3.438 20 0 FGADRP C[NH+](C)CC(C)(C)CNC(=S)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000728445892 722451755 /nfs/dbraw/zinc/45/17/55/722451755.db2.gz MAWKHRQJNZMLPU-SFHVURJKSA-N 2 0 368.635 3.037 20 0 FGADRP C[C@@H](NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1csc2ccccc21 ZINC000741086634 722542481 /nfs/dbraw/zinc/54/24/81/722542481.db2.gz JHBZEAQCUZTSGR-OAHLLOKOSA-N 2 0 362.543 3.097 20 0 FGADRP CC(C)N(CC[NH+](C)C)C(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000749186808 722719480 /nfs/dbraw/zinc/71/94/80/722719480.db2.gz QPWJFKPITABNNM-UHFFFAOYSA-N 2 0 352.567 3.013 20 0 FGADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H](O)Cc2ccc(C(F)(F)F)cc2)[C@H](C)C1 ZINC000749347363 722725600 /nfs/dbraw/zinc/72/56/00/722725600.db2.gz WLGJOOYLFONFRS-JLSDUUJJSA-N 2 0 358.448 3.271 20 0 FGADRP C[C@@H](CS(=O)(=O)c1ccccc1)[NH2+]C1CCC([NH+]2CCCCC2)CC1 ZINC000756644244 722968134 /nfs/dbraw/zinc/96/81/34/722968134.db2.gz ZWWIRIDHGXLIEZ-VIQWUECVSA-N 2 0 364.555 3.236 20 0 FGADRP C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000762640098 723266337 /nfs/dbraw/zinc/26/63/37/723266337.db2.gz DWJLPHPKBMBPKV-CRAIPNDOSA-N 2 0 351.535 3.096 20 0 FGADRP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](CCNC(=O)OC(C)(C)C)CC1 ZINC000763432425 723342860 /nfs/dbraw/zinc/34/28/60/723342860.db2.gz KLNRICYAOHOJPK-KRWDZBQOSA-N 2 0 353.551 3.488 20 0 FGADRP c1csc(C[NH+]2CCC(C[NH2+]CC3CCC4(CC3)OCCO4)CC2)c1 ZINC000795913521 723613789 /nfs/dbraw/zinc/61/37/89/723613789.db2.gz DWYKINHCMWEFFG-UHFFFAOYSA-N 2 0 364.555 3.483 20 0 FGADRP CC(C)COC(=O)N1CCC([NH2+]CCCCC[NH+]2CCCCC2)CC1 ZINC000796765040 723653915 /nfs/dbraw/zinc/65/39/15/723653915.db2.gz VSVJBKYXMXGJJX-UHFFFAOYSA-N 2 0 353.551 3.489 20 0 FGADRP CC(C)CC[NH+]1CCC(C[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000769400730 723684509 /nfs/dbraw/zinc/68/45/09/723684509.db2.gz JDSMCRGBKDZGIM-GOSISDBHSA-N 2 0 353.551 3.344 20 0 FGADRP COc1ccc([C@H](C)[NH2+]C[C@@H](O)C(F)(F)F)cc1C[NH+]1CCCCC1 ZINC000775380092 723986745 /nfs/dbraw/zinc/98/67/45/723986745.db2.gz VGWBEQSPWQOPHV-SUMWQHHRSA-N 2 0 360.420 3.255 20 0 FGADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+]C2CC3(C2)CN(C(=O)OC(C)(C)C)C3)C1 ZINC000788596246 725074596 /nfs/dbraw/zinc/07/45/96/725074596.db2.gz YCLMRUBDJAIGDQ-MRXNPFEDSA-N 2 0 351.535 3.096 20 0 FGADRP CCC[NH+]1CCC([NH2+][C@@H]2[C@H](C)CCN(C(=O)OC(C)(C)C)[C@H]2C)CC1 ZINC000809717146 725262142 /nfs/dbraw/zinc/26/21/42/725262142.db2.gz CKMXOCHATAMZGB-SOLBZPMBSA-N 2 0 353.551 3.484 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC000810146484 725292769 /nfs/dbraw/zinc/29/27/69/725292769.db2.gz RMWZFAAIGRZENH-FUHIMQAGSA-N 2 0 355.542 3.073 20 0 FGADRP CSC1(C[NH2+][C@@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2C)CC[NH+](C)CC1 ZINC000810253376 725300264 /nfs/dbraw/zinc/30/02/64/725300264.db2.gz SJPCSUMTQYPDNO-HZPDHXFCSA-N 2 0 371.591 3.049 20 0 FGADRP C[NH+](C)[C@H](CNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1)c1ccc(Cl)cc1 ZINC000810465272 725309289 /nfs/dbraw/zinc/30/92/89/725309289.db2.gz KWAIOOIRIFTGBN-APWZRJJASA-N 2 0 369.912 3.271 20 0 FGADRP CCC[N@H+](CC)C[C@@H](C)NC(=O)NC1CCC([NH+]2CCCCC2)CC1 ZINC000812122601 725389152 /nfs/dbraw/zinc/38/91/52/725389152.db2.gz KBOQZVXKLAPQEP-LMDPOFIKSA-N 2 0 352.567 3.203 20 0 FGADRP CC(C)(C)OC(=O)N1CC[NH+](C2CCC([NH2+]CC3(C)CC3)CC2)CC1 ZINC000812802368 726813506 /nfs/dbraw/zinc/81/35/06/726813506.db2.gz JMMUKOWGYPKEOP-UHFFFAOYSA-N 2 0 351.535 3.240 20 0 FGADRP CC1(C)[C@H](O)CC[NH+]1CCCCCCCCC[N@H+]1CC[C@H](O)C1(C)C ZINC000812868722 726819486 /nfs/dbraw/zinc/81/94/86/726819486.db2.gz MIAJAQGZFPVFSO-KDURUIRLSA-N 2 0 354.579 3.408 20 0 FGADRP O[C@H](C[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1ccc(Cl)cc1 ZINC000817898630 727287211 /nfs/dbraw/zinc/28/72/11/727287211.db2.gz IJZIKWCTOXIXHD-GGPKGHCWSA-N 2 0 358.869 3.219 20 0 FGADRP O[C@@H](C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)c1cccc(Br)c1 ZINC000817929604 727288087 /nfs/dbraw/zinc/28/80/87/727288087.db2.gz IRYOYQPKXHZISM-MLHJIOFPSA-N 2 0 367.331 3.383 20 0 FGADRP C[C@@H](C[NH2+]C[C@H](O)c1ccc(F)c(Br)c1)C[NH+]1CCCCC1 ZINC000818970595 727332298 /nfs/dbraw/zinc/33/22/98/727332298.db2.gz XCHYHHNVNBTETA-GUYCJALGSA-N 2 0 373.310 3.333 20 0 FGADRP CC(C)(C)[NH+]1CCC([NH2+]C[C@H](O)c2ccc(Br)cc2)CC1 ZINC000818969465 727332457 /nfs/dbraw/zinc/33/24/57/727332457.db2.gz QHICDOZQGXSADV-INIZCTEOSA-N 2 0 355.320 3.335 20 0 FGADRP CC(C)(C)[NH+]1CCC([NH2+]C[C@@H](O)c2ccc(Br)cc2)CC1 ZINC000818969592 727332490 /nfs/dbraw/zinc/33/24/90/727332490.db2.gz QHICDOZQGXSADV-MRXNPFEDSA-N 2 0 355.320 3.335 20 0 FGADRP CCC[N@@H+]1CC[C@@H](C[NH2+]C[C@](C)(O)c2ccc(Br)cc2F)C1 ZINC000818981489 727334112 /nfs/dbraw/zinc/33/41/12/727334112.db2.gz VGXYKJGWYRNLLB-GUYCJALGSA-N 2 0 373.310 3.117 20 0 FGADRP CC(C)C[N@@H+]1CC[C@@H](C[NH2+]C[C@H](O)c2ccc(OC(F)(F)F)cc2)C1 ZINC000819152228 727353084 /nfs/dbraw/zinc/35/30/84/727353084.db2.gz OQCLVJVHFCBVFW-YOEHRIQHSA-N 2 0 360.420 3.186 20 0 FGADRP C[NH+](C)CC1CCC([NH2+]C[C@H](O)c2ccc(OC(F)(F)F)cc2)CC1 ZINC000819185354 727355750 /nfs/dbraw/zinc/35/57/50/727355750.db2.gz NEZFJYLTNYXPAT-PGEKIEPBSA-N 2 0 360.420 3.329 20 0 FGADRP C[C@H]1C[N@H+](CCC[NH2+]C[C@@H](O)c2ccc(Cl)cc2Cl)CCCO1 ZINC000819265037 727362543 /nfs/dbraw/zinc/36/25/43/727362543.db2.gz LAQSBVIBSAOCAJ-SUMWQHHRSA-N 2 0 361.313 3.117 20 0 FGADRP CC1CC[NH+]([C@@H](CNC(=O)c2cccc(C[NH3+])c2)c2cccs2)CC1 ZINC000825769604 729394843 /nfs/dbraw/zinc/39/48/43/729394843.db2.gz BMWSAUOVFHUVJD-SFHVURJKSA-N 2 0 357.523 3.410 20 0 FGADRP Cc1cc([C@H]([NH3+])CC(=O)N2CCC(C[N@@H+](C)C(C)C)CC2)cc(Cl)n1 ZINC000827533122 729431453 /nfs/dbraw/zinc/43/14/53/729431453.db2.gz CNTXKKGZZPQPIS-QGZVFWFLSA-N 2 0 366.937 3.012 20 0 FGADRP C[N@@H+]1CC[C@H](CNC(=O)CCCCC[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000831481857 729645204 /nfs/dbraw/zinc/64/52/04/729645204.db2.gz WBMPCLJDMHPQCM-KDOFPFPSSA-N 2 0 355.885 3.107 20 0 FGADRP CC[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000834513345 729808810 /nfs/dbraw/zinc/80/88/10/729808810.db2.gz KYBYIXLCGXZHLA-VSZNYVQBSA-N 2 0 351.535 3.381 20 0 FGADRP C[C@H]([NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1)c1ccc(Cl)nc1 ZINC000840885384 730188043 /nfs/dbraw/zinc/18/80/43/730188043.db2.gz XQYGFVLWCRYSHK-INIZCTEOSA-N 2 0 359.901 3.413 20 0 FGADRP Cc1cc(C[NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)cnc1Cl ZINC000840969260 730198637 /nfs/dbraw/zinc/19/86/37/730198637.db2.gz CWXKAKFTSMETAM-UHFFFAOYSA-N 2 0 359.901 3.160 20 0 FGADRP CCOCCOc1ccc(Br)cc1C[NH2+]C1CCC([NH3+])CC1 ZINC000843106614 730585765 /nfs/dbraw/zinc/58/57/65/730585765.db2.gz NDGVIAQWLQDAFL-UHFFFAOYSA-N 2 0 371.319 3.224 20 0 FGADRP C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+]CCCCCC[NH3+] ZINC000843126522 730589017 /nfs/dbraw/zinc/58/90/17/730589017.db2.gz IBMBTDXTOMOMIV-CYBMUJFWSA-N 2 0 356.308 3.275 20 0 FGADRP C[N@H+](Cc1nc(-c2cccc(C(F)(F)F)c2)no1)C1CCC([NH3+])CC1 ZINC000843355039 730610100 /nfs/dbraw/zinc/61/01/00/730610100.db2.gz JXRUISCDZWVDAR-UHFFFAOYSA-N 2 0 354.376 3.457 20 0 FGADRP CCC[NH+]1CCN(c2ccc(NC(=O)CCC(C)(C)[NH3+])cc2Cl)CC1 ZINC000844190149 730691503 /nfs/dbraw/zinc/69/15/03/730691503.db2.gz CAZZAKLFOREKQS-UHFFFAOYSA-N 2 0 366.937 3.328 20 0 FGADRP FC1(F)C[C@]12CCC[NH+](CCOCC[N@H+]1CCC[C@]3(CC3(F)F)C1)C2 ZINC000844438861 730718373 /nfs/dbraw/zinc/71/83/73/730718373.db2.gz TWCKZLBKOVSRHY-HOTGVXAUSA-N 2 0 364.427 3.245 20 0 FGADRP Cn1c(C[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)cnc1Cl ZINC000848547165 731179091 /nfs/dbraw/zinc/17/90/91/731179091.db2.gz LBFNTGJWPIJXPU-NZSAHSFTSA-N 2 0 358.917 3.464 20 0 FGADRP C[C@]1(CNC(=[NH2+])NC2CC[NH+](Cc3ccccc3)CC2)CC1(Cl)Cl ZINC000849114631 731230717 /nfs/dbraw/zinc/23/07/17/731230717.db2.gz OMEMCCIZFXQXJV-QGZVFWFLSA-N 2 0 369.340 3.349 20 0 FGADRP C[C@H]([NH2+]C[C@]12OCCC[C@H]1C2(F)F)c1cccc(OCC[NH+](C)C)c1 ZINC000850534929 731370354 /nfs/dbraw/zinc/37/03/54/731370354.db2.gz RWGZJLSJAFPAOQ-QGTPRVQTSA-N 2 0 354.441 3.092 20 0 FGADRP CC(C)[C@@H](CC[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21)NC(=O)OC(C)(C)C ZINC000850566710 731374220 /nfs/dbraw/zinc/37/42/20/731374220.db2.gz QRFGFVQATXCHQE-MLHJIOFPSA-N 2 0 353.551 3.388 20 0 FGADRP CC(C)(C)OC(=O)N1CCC[C@H]([NH2+]CC2CC[NH+](CC3CC3)CC2)C1 ZINC000850584393 731376139 /nfs/dbraw/zinc/37/61/39/731376139.db2.gz RFSIKINHGBAEDG-SFHVURJKSA-N 2 0 351.535 3.098 20 0 FGADRP Cc1nn(CC(C)C)c(Cl)c1[C@@H]1CCC[N@@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000852745970 731629446 /nfs/dbraw/zinc/62/94/46/731629446.db2.gz FYHAFPCQULJWMP-CVEARBPZSA-N 2 0 366.937 3.159 20 0 FGADRP CC[NH+]1CCN([C@H](C)C[NH2+]Cc2cc(C)c(F)cc2Br)CC1 ZINC000858097784 732180332 /nfs/dbraw/zinc/18/03/32/732180332.db2.gz ZCHXUANFCXFEJG-CQSZACIVSA-N 2 0 372.326 3.012 20 0 FGADRP C[C@H]([NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000858119584 732182479 /nfs/dbraw/zinc/18/24/79/732182479.db2.gz PISIPXVCVHODFH-ULQDDVLXSA-N 2 0 353.551 3.484 20 0 FGADRP C[NH+]1CCC2(CCC[N@H+](CCC3CN(C(=O)OC(C)(C)C)C3)C2)CC1 ZINC000859291538 732304579 /nfs/dbraw/zinc/30/45/79/732304579.db2.gz IOMNDFOGRQOOMT-UHFFFAOYSA-N 2 0 351.535 3.051 20 0 FGADRP CC(C)(C)OC(=O)N[C@H](C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)CC(F)(F)F ZINC000865416501 733195202 /nfs/dbraw/zinc/19/52/02/733195202.db2.gz AJKFDRVIWUGFKX-MELADBBJSA-N 2 0 365.440 3.049 20 0 FGADRP C[N@@H+]1CCC[C@@H](CC[NH2+]C[C@H](CC(F)(F)F)NC(=O)OC(C)(C)C)C1 ZINC000865600951 733234794 /nfs/dbraw/zinc/23/47/94/733234794.db2.gz WMKDRVYGLVGEKS-KBPBESRZSA-N 2 0 367.456 3.154 20 0 FGADRP C[N@@H+]1CCC[C@@H](CC[NH2+]C[C@@H](CC(F)(F)F)NC(=O)OC(C)(C)C)C1 ZINC000865600953 733235097 /nfs/dbraw/zinc/23/50/97/733235097.db2.gz WMKDRVYGLVGEKS-UONOGXRCSA-N 2 0 367.456 3.154 20 0 FGADRP CCN(CC(=O)Nc1c(F)cccc1F)Cc1cc2c(s1)CC[NH2+]C2 ZINC000873208769 735738041 /nfs/dbraw/zinc/73/80/41/735738041.db2.gz GNTZXWJBHMTWSC-UHFFFAOYSA-N 2 0 365.449 3.133 20 0 FGADRP C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+][C@H](C)C1CC[NH2+]CC1 ZINC000873221514 735739561 /nfs/dbraw/zinc/73/95/61/735739561.db2.gz VEHJEEFMNDPCAN-HUUCEWRRSA-N 2 0 351.922 3.055 20 0 FGADRP C[C@@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[NH2+]C[C@H]1C[C@H]([NH3+])C1 ZINC000873256811 735743801 /nfs/dbraw/zinc/74/38/01/735743801.db2.gz ORVJUHIHSDLVHZ-NHCYSSNCSA-N 2 0 363.811 3.403 20 0 FGADRP [NH3+][C@H]1C[C@H](C[NH2+][C@H](c2cccc(Br)c2)C2CCOCC2)C1 ZINC000873255867 735743996 /nfs/dbraw/zinc/74/39/96/735743996.db2.gz JGEOTXCUPHXECE-ZLIFDBKOSA-N 2 0 353.304 3.244 20 0 FGADRP C[C@H]([NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2)c1ccc(Br)cc1 ZINC000873289082 735746797 /nfs/dbraw/zinc/74/67/97/735746797.db2.gz DWKMSSCSVVRVSV-BBRMVZONSA-N 2 0 353.304 3.258 20 0 FGADRP CC[C@H]([NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2)c1ccccc1OC(F)F ZINC000873291542 735747068 /nfs/dbraw/zinc/74/70/68/735747068.db2.gz XAFDBSIHYWLTAG-HOCLYGCPSA-N 2 0 354.441 3.487 20 0 FGADRP COCCC[C@H]([NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2)c1ccc(F)cc1 ZINC000873294000 735747470 /nfs/dbraw/zinc/74/74/70/735747470.db2.gz SAZOSIODWLFRCA-OALUTQOASA-N 2 0 350.478 3.042 20 0 FGADRP C[C@H]([NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2)c1cc(Cl)c(N)c(Cl)c1 ZINC000873292704 735747687 /nfs/dbraw/zinc/74/76/87/735747687.db2.gz UZQBUDAWBGJNFN-WCQYABFASA-N 2 0 358.313 3.385 20 0 FGADRP C[NH+]1CCN(CCC(C)(C)[NH2+]Cc2cc3nc(Cl)ccc3s2)CC1 ZINC000877402638 736215796 /nfs/dbraw/zinc/21/57/96/736215796.db2.gz GXCRGCNQRMZBGM-UHFFFAOYSA-N 2 0 366.962 3.455 20 0 FGADRP C[N@H+](CCCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)OC(C)(C)C)C2)C1CC1 ZINC000877577439 736687622 /nfs/dbraw/zinc/68/76/22/736687622.db2.gz CTNLRFWSZXIEIM-BQFCYCMXSA-N 2 0 351.535 3.238 20 0 FGADRP C[N@@H+]1CCC[C@@H](CC[NH2+][C@@H]2C[C@H]3C[C@@H](C2)N(C(=O)OC(C)(C)C)C3)C1 ZINC000877584486 736688498 /nfs/dbraw/zinc/68/84/98/736688498.db2.gz GFXIWMUYEVIQRJ-FJIDUMEYSA-N 2 0 351.535 3.096 20 0 FGADRP CCO[P@](C)(=O)CC[C@H](C)[NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000877625500 736696011 /nfs/dbraw/zinc/69/60/11/736696011.db2.gz ZJNNPILKSYPZQX-WEVXLUSXSA-N 2 0 368.458 3.066 20 0 FGADRP C[N@@H+]1CC[C@@H]2C[NH+](C[C@H]3CCCCN(C(=O)OC(C)(C)C)C3)CC[C@H]21 ZINC000877740288 736712637 /nfs/dbraw/zinc/71/26/37/736712637.db2.gz JXAQZTAHEVKAHM-KZNAEPCWSA-N 2 0 351.535 3.050 20 0 FGADRP C[C@@H]1C[C@H](C[N@@H+]2CC[C@@H]3[C@H](CC[NH+]3C)C2)CCN1C(=O)OC(C)(C)C ZINC000877743211 736713237 /nfs/dbraw/zinc/71/32/37/736713237.db2.gz ULYDCTBXBXJTTP-BRSBDYLESA-N 2 0 351.535 3.048 20 0 FGADRP CC1CC[NH+](C[C@H]2CCC[N@H+](C[C@@H]3CCC4(CCOCC4)O3)C2)CC1 ZINC000878017774 736758962 /nfs/dbraw/zinc/75/89/62/736758962.db2.gz NPWXXNIZKUIKPT-UXHICEINSA-N 2 0 350.547 3.159 20 0 FGADRP CC[C@H]([NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2)[C@@H](O)C(F)(F)F ZINC000886558492 739267403 /nfs/dbraw/zinc/26/74/03/739267403.db2.gz LSLXKAPROGDECX-FLXSYLCISA-N 2 0 356.432 3.331 20 0 FGADRP CCOC(=O)c1csc(CC[NH2+]C2CCC(C)([NH+]3CCCC3)CC2)n1 ZINC000886596815 739273415 /nfs/dbraw/zinc/27/34/15/739273415.db2.gz OYQXABSDDXYZGH-UHFFFAOYSA-N 2 0 365.543 3.249 20 0 FGADRP CCC1([NH+]2CCC2)CC[NH+](CCC2CN(C(=O)OC(C)(C)C)C2)CC1 ZINC000886719726 739289517 /nfs/dbraw/zinc/28/95/17/739289517.db2.gz FPFFHZVRICQQIH-UHFFFAOYSA-N 2 0 351.535 3.194 20 0 FGADRP CN1CC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000893209585 742124647 /nfs/dbraw/zinc/12/46/47/742124647.db2.gz LIBLQPIGLKCNRT-JXXIJFNNSA-N 2 0 351.897 3.439 20 0 FGADRP C[NH+](C)CCOc1cc(C[NH2+]Cc2ccc(C(F)F)c(F)c2)ccn1 ZINC000893390573 742148190 /nfs/dbraw/zinc/14/81/90/742148190.db2.gz CICCATURRAHAHE-UHFFFAOYSA-N 2 0 353.388 3.389 20 0 FGADRP Cc1cc(Br)ccc1NC(=O)CC[NH2+]CC1CC[NH+](C)CC1 ZINC000893542867 742169198 /nfs/dbraw/zinc/16/91/98/742169198.db2.gz NBJFBEGAHBPGBJ-UHFFFAOYSA-N 2 0 368.319 3.018 20 0 FGADRP C[NH+]1CCN(CCC(C)(C)[NH2+]Cc2cc3ccnc(Cl)c3s2)CC1 ZINC000894482989 742289332 /nfs/dbraw/zinc/28/93/32/742289332.db2.gz FQEWFGUWILLGGZ-UHFFFAOYSA-N 2 0 366.962 3.455 20 0 FGADRP F[C@@H]1CC2(CC[C@@H]1[NH2+]Cc1c(Cl)cccc1-n1ccnc1)OCCO2 ZINC000894659021 742316051 /nfs/dbraw/zinc/31/60/51/742316051.db2.gz LXRGLABWHVVECR-CVEARBPZSA-N 2 0 365.836 3.249 20 0 FGADRP Cc1c(Br)cccc1CC[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000896812785 742602670 /nfs/dbraw/zinc/60/26/70/742602670.db2.gz OHAIVOAUVDFLIF-UHFFFAOYSA-N 2 0 369.347 3.125 20 0 FGADRP O=C(NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)[C@H]1CC[C@H]2CCCC[NH+]21 ZINC000900439913 743113428 /nfs/dbraw/zinc/11/34/28/743113428.db2.gz PSLUBETUXJUWTH-YQVWRLOYSA-N 2 0 361.555 3.093 20 0 FGADRP CC(C)C[C@@H]([NH2+]CC1CC[NH+](C2CCOCC2)CC1)C1CCOCC1 ZINC000903047135 743799513 /nfs/dbraw/zinc/79/95/13/743799513.db2.gz HZOFYTABVJSQKH-OAQYLSRUSA-N 2 0 352.563 3.308 20 0 FGADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@H+](C[C@@H]3[C@@H](c4ccccc4)C3(F)F)C2)C1 ZINC000903461445 743853316 /nfs/dbraw/zinc/85/33/16/743853316.db2.gz UHLBVQOIUZRICH-UURKPOQGSA-N 2 0 350.453 3.254 20 0 FGADRP C[N@@H+](Cc1cc(Br)cs1)C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903721616 743879460 /nfs/dbraw/zinc/87/94/60/743879460.db2.gz BQMLXECXMUSYSJ-ZDUSSCGKSA-N 2 0 359.333 3.101 20 0 FGADRP c1ccc2sc(C3CC[NH+](C[C@H]4C[C@@]5(CC[NH2+]C5)CO4)CC3)nc2c1 ZINC000903733249 743880205 /nfs/dbraw/zinc/88/02/05/743880205.db2.gz LIPWYGJDALPGTN-OXQOHEQNSA-N 2 0 357.523 3.244 20 0 FGADRP [NH3+][C@H]1CCO[C@H](C2CC[NH+](CCOc3ccc(F)c(Cl)c3)CC2)C1 ZINC000903761338 743881386 /nfs/dbraw/zinc/88/13/86/743881386.db2.gz QDKAYYPLMBLXFG-KSSFIOAISA-N 2 0 356.869 3.076 20 0 FGADRP Cc1nc2ccc(CN3C[C@H]4CC[C@@H](C3)[N@H+]4C3CC[NH2+]CC3)cc2s1 ZINC000903980264 743907790 /nfs/dbraw/zinc/90/77/90/743907790.db2.gz MOMRGIMFBNDOHS-HDICACEKSA-N 2 0 356.539 3.005 20 0 FGADRP C[C@H]1C[N@H+](CCC[NH2+]C[C@@H](O)c2ccc(Cl)c(Cl)c2)CCCO1 ZINC000905230601 744004545 /nfs/dbraw/zinc/00/45/45/744004545.db2.gz GHUJHLMNGVXHTK-SUMWQHHRSA-N 2 0 361.313 3.117 20 0 FGADRP O[C@@H](C[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1)CC(F)(F)F ZINC000905709562 744045572 /nfs/dbraw/zinc/04/55/72/744045572.db2.gz NRUPJOQBXSDELW-XMTFNYHQSA-N 2 0 356.432 3.190 20 0 FGADRP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CC[NH+](CCC(C)(C)C)CC2(C)C)CC[N@@H+]1C ZINC000940756954 762159509 /nfs/dbraw/zinc/15/95/09/762159509.db2.gz NSQYXXMFXDDKOP-RCCFBDPRSA-N 2 0 351.579 3.370 20 0 FGADRP C[NH+](C)CCCCCCCNC(=O)NC1CCC(C)([NH+]2CCC2)CC1 ZINC000914401622 757771932 /nfs/dbraw/zinc/77/19/32/757771932.db2.gz SDCLNTRSCNEXDF-UHFFFAOYSA-N 2 0 352.567 3.205 20 0 FGADRP CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H]([NH2+]C2CC([NH+]3CCCCC3)C2)C1 ZINC000922081418 758847717 /nfs/dbraw/zinc/84/77/17/758847717.db2.gz OQNHZMCZJRYAER-MRLCAUJQSA-N 2 0 351.535 3.286 20 0 FGADRP CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1cccc(Br)c1)C2 ZINC000922390075 758910221 /nfs/dbraw/zinc/91/02/21/758910221.db2.gz XEKMQWTZGUCNLP-ZJPYXAASSA-N 2 0 367.331 3.018 20 0 FGADRP CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1ccc(C(F)(F)F)s1)C2 ZINC000922388174 758910265 /nfs/dbraw/zinc/91/02/65/758910265.db2.gz CMNHMBNXFCFXBV-VDERGJSUSA-N 2 0 362.461 3.336 20 0 FGADRP CC(C)[C@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1ccsc1Br)C2 ZINC000922390429 758911369 /nfs/dbraw/zinc/91/13/69/758911369.db2.gz MNIMXBDREDRJJG-KQTLUZQSSA-N 2 0 373.360 3.080 20 0 FGADRP CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]Cc3cnc(C(C)(C)C)s3)C2)[C@H]1C(C)C ZINC000922391712 758911448 /nfs/dbraw/zinc/91/14/48/758911448.db2.gz GKSNOFGDSQRPMC-WOCWXWTJSA-N 2 0 365.587 3.400 20 0 FGADRP Cc1nc(CN2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)sc1C(C)(C)C ZINC000923430615 759117147 /nfs/dbraw/zinc/11/71/47/759117147.db2.gz IHJYGCOWAVKRTH-CALCHBBNSA-N 2 0 362.587 3.150 20 0 FGADRP COC(=O)c1cccc(-c2nc(C[N@@H+]3CC[C@H](C[NH3+])[C@@H](C)C3)cs2)c1 ZINC000923499504 759132469 /nfs/dbraw/zinc/13/24/69/759132469.db2.gz RQXMHXHEACRJGW-XJKSGUPXSA-N 2 0 359.495 3.013 20 0 FGADRP C[C@@H]([NH2+]CC1CC[NH+](Cc2ccccc2Cl)CC1)c1cc(CO)on1 ZINC000924993996 759429082 /nfs/dbraw/zinc/42/90/82/759429082.db2.gz QZRUVRWFOMTMTN-CQSZACIVSA-N 2 0 363.889 3.383 20 0 FGADRP CCc1nc(CN2CCC(C[NH2+][C@H]3C[C@H]([NH3+])CC(C)(C)C3)CC2)cs1 ZINC000925573956 759507115 /nfs/dbraw/zinc/50/71/15/759507115.db2.gz QTVKYGCRFGHCPE-IRXDYDNUSA-N 2 0 364.603 3.413 20 0 FGADRP C[N@@H+]1CC[C@H](CN[C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)[C@H]1c1ccc(Cl)c(F)c1 ZINC000925629980 759514950 /nfs/dbraw/zinc/51/49/50/759514950.db2.gz OROLMPQRIGRQHK-OZLUZYOVSA-N 2 0 363.908 3.058 20 0 FGADRP [NH3+]CCC[C@H]([NH2+][C@H]1C[C@H](S(=O)(=O)c2ccccc2)C1)c1ccccc1 ZINC000925733305 759527199 /nfs/dbraw/zinc/52/71/99/759527199.db2.gz JSXXHWJRECVFHJ-IHPCNDPISA-N 2 0 358.507 3.061 20 0 FGADRP Cc1ccc([C@H](NCCC(C)(C)[NH3+])c2cccc(S(C)(=O)=O)c2)cc1 ZINC000925742180 759528181 /nfs/dbraw/zinc/52/81/81/759528181.db2.gz QAPNPMUBDVHNRV-IBGZPJMESA-N 2 0 360.523 3.205 20 0 FGADRP C(C[C@@H]1CCC2(CCOCC2)CO1)[NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925774404 759534214 /nfs/dbraw/zinc/53/42/14/759534214.db2.gz VEBQZFURCAYWFI-UFYCRDLUSA-N 2 0 350.547 3.110 20 0 FGADRP C[C@@H]1C[C@@H]([NH2+]CCN2CCC([NH3+])CC2)c2cccc(Br)c21 ZINC000925812192 759549111 /nfs/dbraw/zinc/54/91/11/759549111.db2.gz VJUPZGUJZGMHJI-MLGOLLRUSA-N 2 0 352.320 3.010 20 0 FGADRP [NH3+]C1CCN(CC[NH2+][C@H]2CCC[C@@H]2c2cccc(C(F)(F)F)c2)CC1 ZINC000925816925 759550793 /nfs/dbraw/zinc/55/07/93/759550793.db2.gz LSIGILVUDCLTNE-MSOLQXFVSA-N 2 0 355.448 3.354 20 0 FGADRP [NH3+]C1CCN(CC[NH2+][C@H](c2cccc(OC(F)(F)F)c2)C2CC2)CC1 ZINC000925817900 759550943 /nfs/dbraw/zinc/55/09/43/759550943.db2.gz XFYBLSJJVGEURT-KRWDZBQOSA-N 2 0 357.420 3.049 20 0 FGADRP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@@H]2[NH2+]CCc1nc2c(s1)CCC2 ZINC000925832771 759554133 /nfs/dbraw/zinc/55/41/33/759554133.db2.gz SVISSELUENLOQS-OXJNMPFZSA-N 2 0 355.507 3.020 20 0 FGADRP O=C1O[C@@H](C[NH2+][C@H]2CCc3cc(Cl)cc(Cl)c32)CC12CC[NH2+]CC2 ZINC000925849939 759557259 /nfs/dbraw/zinc/55/72/59/759557259.db2.gz GCCCBFQKHWUJNZ-HIFRSBDPSA-N 2 0 369.292 3.256 20 0 FGADRP O=C1O[C@@H](C[NH2+][C@@H]2CCCCc3ccc(Cl)cc32)CC12CC[NH2+]CC2 ZINC000925854894 759559605 /nfs/dbraw/zinc/55/96/05/759559605.db2.gz SQGZFXPMRQINDB-SJLPKXTDSA-N 2 0 362.901 3.382 20 0 FGADRP C[C@@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+]C[C@@H]1CC[C@H]([NH3+])C1 ZINC000925877346 759564706 /nfs/dbraw/zinc/56/47/06/759564706.db2.gz PDTCDTWYKDVIFO-XQQFMLRXSA-N 2 0 359.392 3.019 20 0 FGADRP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+][C@@H]3CCc4c3nccc4Cl)cc2)C1 ZINC000926688624 759802613 /nfs/dbraw/zinc/80/26/13/759802613.db2.gz GCSMPQZPONHGPR-VQIMIIECSA-N 2 0 357.885 3.079 20 0 FGADRP CC(C)CC[NH+]1CCC([NH2+]C[C@H](C)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC000926795066 759821947 /nfs/dbraw/zinc/82/19/47/759821947.db2.gz GSQJUCSORJDYAV-KRWDZBQOSA-N 2 0 366.571 3.294 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC[C@@H]2CC[C@H](C(F)(F)F)O2)[C@H](C)C1 ZINC000926910227 759844919 /nfs/dbraw/zinc/84/49/19/759844919.db2.gz JNSJEPRADFUXSZ-LTIDMASMSA-N 2 0 366.468 3.213 20 0 FGADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]C[C@@H]3CCC4(CCOCC4)O3)CC2)C1 ZINC000927012468 759876998 /nfs/dbraw/zinc/87/69/98/759876998.db2.gz HTSQAIBRJGKROK-HOJAQTOUSA-N 2 0 350.547 3.347 20 0 FGADRP C[N@@H+]1CC[C@]2(C1)CCC[NH+](C[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C1)C2 ZINC000930602484 760653583 /nfs/dbraw/zinc/65/35/83/760653583.db2.gz UKUOEXRHLZHBMT-UWVAXJGDSA-N 2 0 351.535 3.098 20 0 FGADRP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]2C[NH+](C)Cc2csc(C)c2)CC[N@@H+]1C ZINC000960643194 762736207 /nfs/dbraw/zinc/73/62/07/762736207.db2.gz KUWSWJBATJWWNB-GBESFXJTSA-N 2 0 363.571 3.210 20 0 FGADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](C[NH2+]Cc3sccc3Cl)C2)CC[N@@H+]1C ZINC000983712897 763663663 /nfs/dbraw/zinc/66/36/63/763663663.db2.gz DYPJPCQREATCLS-RZLSGREXSA-N 2 0 369.962 3.116 20 0 FGADRP C[C@@H]1[C@H](C(=O)N2CCC([NH+](C)Cc3ccccc3Cl)CC2)CC[N@@H+]1C ZINC000985442681 763931297 /nfs/dbraw/zinc/93/12/97/763931297.db2.gz QIGVOXKZRJCCRE-CRAIPNDOSA-N 2 0 363.933 3.103 20 0 FGADRP Cc1cc(C[NH+]2CC[C@@]3(NC(=O)[C@@H]4CC[N@H+](C)[C@@H]4C)CCC[C@H]23)cs1 ZINC000990790133 764563125 /nfs/dbraw/zinc/56/31/25/764563125.db2.gz KOTYBROTKRPOLF-LBKNJMOBSA-N 2 0 361.555 3.010 20 0 FGADRP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]([NH2+]Cc3cccc(Cl)c3)C2)CC[N@@H+]1C ZINC000999208098 765147507 /nfs/dbraw/zinc/14/75/07/765147507.db2.gz LSITWHGTRQPWKL-GBESFXJTSA-N 2 0 363.933 3.151 20 0 FGADRP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3cc(Cl)ccc3Cl)C2)CC[N@@H+]1C ZINC001022103029 765973162 /nfs/dbraw/zinc/97/31/62/765973162.db2.gz DDCKRTOVFPBZST-BQDHKBFISA-N 2 0 370.324 3.070 20 0 FGADRP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCCC[NH+]2Cc2csc(C)c2)CC[N@@H+]1C ZINC001024448555 766054508 /nfs/dbraw/zinc/05/45/08/766054508.db2.gz QLJHJQXJNNPHKX-GBESFXJTSA-N 2 0 363.571 3.258 20 0 FGADRP Cc1cc(C[NH2+][C@@H](C)C2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)cs1 ZINC001029100579 766141896 /nfs/dbraw/zinc/14/18/96/766141896.db2.gz CMMOIAXAONRSBD-FRQCXROJSA-N 2 0 363.571 3.113 20 0 FGADRP C[C@@H]1C[C@H]([N@H+](C)Cc2cccc(I)c2)CCN1C ZINC000551803020 505311809 /nfs/dbraw/zinc/31/18/09/505311809.db2.gz DEPXWZGIGYNDAC-IUODEOHRSA-N 2 0 358.267 3.206 20 0 FGADRP C[C@@H](NC(=O)CN1CC[C@@]2(C1)CCC[NH2+]C2)c1cccc2ccccc21 ZINC000576704603 505574853 /nfs/dbraw/zinc/57/48/53/505574853.db2.gz XDZHKNILQGIILO-VGSWGCGISA-N 2 0 351.494 3.093 20 0 FGADRP CC(C)c1ccc([C@@H]([NH3+])CNC(=O)N2CCCC23CC[NH+](C)CC3)cc1 ZINC000579572221 505578204 /nfs/dbraw/zinc/57/82/04/505578204.db2.gz NLTJXDALOSKDIH-IBGZPJMESA-N 2 0 358.530 3.080 20 0 FGADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccc(-n4ccc(C(F)(F)F)n4)cc3)C[C@H]21 ZINC000573608393 505577186 /nfs/dbraw/zinc/57/71/86/505577186.db2.gz OUDVVAHTTGPXKA-USXIJHARSA-N 2 0 364.415 3.450 20 0 FGADRP C[NH+](C)CCc1ccc(C(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000576714719 505577668 /nfs/dbraw/zinc/57/76/68/505577668.db2.gz GPWZJVCGKFROBW-NRFANRHFSA-N 2 0 365.521 3.043 20 0 FGADRP C[C@@H](c1ccc(Br)cc1)N1CC[NH+](CC[C@H]2CC[NH2+]C2)CC1 ZINC000579597910 505583590 /nfs/dbraw/zinc/58/35/90/505583590.db2.gz JONRCLCIQZCBFG-JKSUJKDBSA-N 2 0 366.347 3.127 20 0 FGADRP C[C@@H]([NH2+][C@@H]1COc2ccccc2C1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000579619887 505588603 /nfs/dbraw/zinc/58/86/03/505588603.db2.gz ILHHIPDQFXOOGE-APWZRJJASA-N 2 0 369.484 3.232 20 0 FGADRP Cc1cnc([C@H](C)C[NH2+]C[C@H](O)Cn2cnc3cc(C)c(C)cc32)s1 ZINC000576817607 505601381 /nfs/dbraw/zinc/60/13/81/505601381.db2.gz MIFBUEKCGCWJRO-ZBFHGGJFSA-N 2 0 358.511 3.172 20 0 FGADRP CC[N@H+](CCOCC[NH3+])[C@H]1CCSc2ccc(Br)cc21 ZINC000579714802 505607431 /nfs/dbraw/zinc/60/74/31/505607431.db2.gz YNHWBYZMYWSDLZ-AWEZNQCLSA-N 2 0 359.333 3.283 20 0 FGADRP C[C@H]([NH2+]CCNC(=O)CC1CCCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000576882967 505616181 /nfs/dbraw/zinc/61/61/81/505616181.db2.gz OSQUGVOWUYMOMD-RXVVDRJESA-N 2 0 357.542 3.183 20 0 FGADRP Cc1ccccc1[C@H]([NH3+])C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000570958480 505620792 /nfs/dbraw/zinc/62/07/92/505620792.db2.gz NNPKNEWFGYXHOO-NRFANRHFSA-N 2 0 351.494 3.297 20 0 FGADRP C[NH+](C)Cc1cccc(C[NH2+]C[C@@H](O)COc2ccc3ccccc3c2)c1 ZINC000570997890 505629485 /nfs/dbraw/zinc/62/94/85/505629485.db2.gz ZLHGBZPPNIXTHW-JOCHJYFZSA-N 2 0 364.489 3.431 20 0 FGADRP CCN1CC[C@H]([NH2+]CC[C@@H]2CCC[N@@H+]2C)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000573902647 505647510 /nfs/dbraw/zinc/64/75/10/505647510.db2.gz KJVFPBVMQZDQBC-FNHZYXHNSA-N 2 0 355.448 3.313 20 0 FGADRP CC(C)[NH+]1CCN([C@H]2CC[N@H+](C[C@@H](C)c3cc(F)cc(F)c3)C2)CC1 ZINC000580035807 505666890 /nfs/dbraw/zinc/66/68/90/505666890.db2.gz MSAMOSRZQBIFAG-UZLBHIALSA-N 2 0 351.485 3.169 20 0 FGADRP C[NH+](C)Cc1cccc(NC(=O)NC[C@@H](c2ccc(F)cc2)[NH+](C)C)c1 ZINC000048076477 493781854 /nfs/dbraw/zinc/78/18/54/493781854.db2.gz LKMPHYWZXKJKOD-IBGZPJMESA-N 2 0 358.461 3.312 20 0 FGADRP O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000068366728 493804865 /nfs/dbraw/zinc/80/48/65/493804865.db2.gz OVSLDMGQBGMQHB-QFIPXVFZSA-N 2 0 363.505 3.287 20 0 FGADRP C[C@@H](C(=O)NC1CCCC1)[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000057843824 493807049 /nfs/dbraw/zinc/80/70/49/493807049.db2.gz JDKVCCXGOMFOAR-SFHVURJKSA-N 2 0 357.542 3.278 20 0 FGADRP C[NH+](C)[C@@H](CNC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1cccs1 ZINC000050024735 493891975 /nfs/dbraw/zinc/89/19/75/493891975.db2.gz OLHHYIKIGXDILU-MOPGFXCFSA-N 2 0 371.550 3.379 20 0 FGADRP CC[C@@H]1CCCC[N@@H+]1CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000051125107 493950475 /nfs/dbraw/zinc/95/04/75/493950475.db2.gz NIAVTIDUUSRSCJ-OAQYLSRUSA-N 2 0 357.542 3.340 20 0 FGADRP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+]([C@@H](C)C2CC2)C2CC2)CC1 ZINC000051881709 493991710 /nfs/dbraw/zinc/99/17/10/493991710.db2.gz UVALZMXQRZXKJY-SFHVURJKSA-N 2 0 369.553 3.339 20 0 FGADRP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@H+](C)CC2CCCC2)CC1 ZINC000064021640 494102369 /nfs/dbraw/zinc/10/23/69/494102369.db2.gz UPHUPSQSTXHSJG-UHFFFAOYSA-N 2 0 357.542 3.151 20 0 FGADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000085359346 494116652 /nfs/dbraw/zinc/11/66/52/494116652.db2.gz NJAJFJBTAIKBEJ-QGZVFWFLSA-N 2 0 362.562 3.302 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)NCCC1CC[NH+](C)CC1 ZINC000077809943 494184112 /nfs/dbraw/zinc/18/41/12/494184112.db2.gz PEOTZEWYCMBDSM-LJQANCHMSA-N 2 0 372.557 3.024 20 0 FGADRP CC[NH+](CC)Cc1ccc(CNC(=O)NC[C@@H]2CC[N@@H+](C(C)C)C2)cc1 ZINC000065441847 494197439 /nfs/dbraw/zinc/19/74/39/494197439.db2.gz BCQUVUQCIAJEHN-FQEVSTJZSA-N 2 0 360.546 3.058 20 0 FGADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)NCC(C)(C)[NH+]2CCCCC2)C1 ZINC000065522123 494209308 /nfs/dbraw/zinc/20/93/08/494209308.db2.gz ORFSNDJFSIKGQF-AZUAARDMSA-N 2 0 372.557 3.386 20 0 FGADRP CC[NH+]1CCC(NC(=O)C[N@H+](Cc2ccccc2)C2CCCCC2)CC1 ZINC000054338645 494222089 /nfs/dbraw/zinc/22/20/89/494222089.db2.gz CFXNDIZRAIRBHE-UHFFFAOYSA-N 2 0 357.542 3.422 20 0 FGADRP Cc1c[nH+]ccc1N1CCC(C(=O)NC[C@]2([NH+](C)C)CCC[C@@H](C)C2)CC1 ZINC000073025557 494308433 /nfs/dbraw/zinc/30/84/33/494308433.db2.gz FEIQVEQKHKRPTC-VGSWGCGISA-N 2 0 372.557 3.233 20 0 FGADRP Cc1c[nH+]ccc1N1CCC(C(=O)N[C@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000073050638 494313625 /nfs/dbraw/zinc/31/36/25/494313625.db2.gz RCUASYGBVDOSFD-ZIFCJYIRSA-N 2 0 372.557 3.089 20 0 FGADRP Cc1ccc([C@H](CNC(=O)C2CC[NH+](C(C)C)CC2)[NH+]2CCCC2)cc1 ZINC000073173694 494332514 /nfs/dbraw/zinc/33/25/14/494332514.db2.gz JSVVLEVLNUUUOE-NRFANRHFSA-N 2 0 357.542 3.369 20 0 FGADRP CC[NH+](CC)Cc1cccc(CNC(=O)NCCC[NH+]2CCCCC2)c1 ZINC000078946582 494382190 /nfs/dbraw/zinc/38/21/90/494382190.db2.gz GXCYCFYJFDKKRA-UHFFFAOYSA-N 2 0 360.546 3.204 20 0 FGADRP O=C(NCc1ccc(C[NH+]2CCCC2)cc1)N1CCC([NH+]2CCCC2)CC1 ZINC000078953821 494383417 /nfs/dbraw/zinc/38/34/17/494383417.db2.gz HHNSVEVMDNRYDJ-UHFFFAOYSA-N 2 0 370.541 3.052 20 0 FGADRP CC(C)C[NH+]1CCC(NC(=O)NC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000045029719 494392363 /nfs/dbraw/zinc/39/23/63/494392363.db2.gz DANIQCZALHHGAW-UHFFFAOYSA-N 2 0 372.557 3.071 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)CC(C)C ZINC000073596680 494396172 /nfs/dbraw/zinc/39/61/72/494396172.db2.gz UWQRYGPRUVYNAE-IPQPSQTFSA-N 2 0 352.567 3.057 20 0 FGADRP C[C@H]([NH2+]Cc1ccc([S@](C)=O)cc1)c1cccc(OCC[NH+](C)C)c1 ZINC000090221120 494456646 /nfs/dbraw/zinc/45/66/46/494456646.db2.gz GFWONFOFOREZAQ-IVCQMTBJSA-N 2 0 360.523 3.215 20 0 FGADRP COc1cc(OC)cc(OCC[NH2+]C2CC[NH+](C3CCCCC3)CC2)c1 ZINC000090453226 494468845 /nfs/dbraw/zinc/46/88/45/494468845.db2.gz MTUGAHVARAJLNY-UHFFFAOYSA-N 2 0 362.514 3.469 20 0 FGADRP c1ccc2c(c1)CCCN2CC[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000090551390 494480890 /nfs/dbraw/zinc/48/08/90/494480890.db2.gz XMQVHXFXQMLTFP-UHFFFAOYSA-N 2 0 357.542 3.016 20 0 FGADRP C[NH+](C)CCOc1cc(C[NH2+][C@@H](C[C@H]2CCOC2)c2ccccc2)ccn1 ZINC000090937393 494505136 /nfs/dbraw/zinc/50/51/36/494505136.db2.gz ZEPLAYKXGWBZIK-CTNGQTDRSA-N 2 0 369.509 3.280 20 0 FGADRP CCCC[N@H+](C)CC1CC[NH+]([C@H](C)C(=O)Nc2ccc(OC)cc2)CC1 ZINC000074319598 494518434 /nfs/dbraw/zinc/51/84/34/494518434.db2.gz DWWHRPDWTNTCFU-QGZVFWFLSA-N 2 0 361.530 3.466 20 0 FGADRP C[NH+](C)CCC1CC[NH+](CCC(=O)N[C@H]2CCCc3ccccc32)CC1 ZINC000056522155 494519445 /nfs/dbraw/zinc/51/94/45/494519445.db2.gz AQMYEDJFBVNIRP-NRFANRHFSA-N 2 0 357.542 3.234 20 0 FGADRP C[C@H](C(=O)Nc1ccc(OC(F)F)cc1)[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000056524686 494520611 /nfs/dbraw/zinc/52/06/11/494520611.db2.gz HDHHQEIZBYGMBR-CQSZACIVSA-N 2 0 369.456 3.279 20 0 FGADRP Cc1nccn1CC[NH2+]C[C@H](O)COc1ccc(Oc2ccccc2)cc1 ZINC000580304467 505728330 /nfs/dbraw/zinc/72/83/30/505728330.db2.gz HVGYRLQCNAHKMW-SFHVURJKSA-N 2 0 367.449 3.013 20 0 FGADRP C[C@H](CNC(=O)N1CCC(C[NH+]2CCCCCC2)CC1)C[NH+]1CCCC1 ZINC000080051429 494576777 /nfs/dbraw/zinc/57/67/77/494576777.db2.gz AOWVXBRKIHYRQM-LJQANCHMSA-N 2 0 364.578 3.016 20 0 FGADRP C[C@H]1C[C@H](NC(=O)NCC2([NH+](C)C)CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000080056158 494578005 /nfs/dbraw/zinc/57/80/05/494578005.db2.gz LNNJMSQVJDOQIO-AZUAARDMSA-N 2 0 372.557 3.213 20 0 FGADRP CN1CC[NH+](CCCC[NH2+][C@@H]2CCc3c2cccc3Br)CC1 ZINC000091285145 494578549 /nfs/dbraw/zinc/57/85/49/494578549.db2.gz XMSZAVPWRWCOIS-GOSISDBHSA-N 2 0 366.347 3.054 20 0 FGADRP CCC[NH+]1CCC(NC(=O)N2CCC[N@H+](CC3CCCCC3)CC2)CC1 ZINC000074710314 494578899 /nfs/dbraw/zinc/57/88/99/494578899.db2.gz PDWXLPOBHIDJKJ-UHFFFAOYSA-N 2 0 364.578 3.158 20 0 FGADRP Cc1cccc(N2CCN(CCC[NH2+][C@@H]3[C@@H]4CCO[C@@H]4C34CCC4)CC2)c1 ZINC000121102682 494596651 /nfs/dbraw/zinc/59/66/51/494596651.db2.gz NXAQQCZKERTNMF-BDTNDASRSA-N 2 0 369.553 3.054 20 0 FGADRP C[C@H](C[NH2+][C@@H](C)c1ccc(Br)c(F)c1)CN1CC[NH+](C)CC1 ZINC000131442538 494620933 /nfs/dbraw/zinc/62/09/33/494620933.db2.gz XXFJPKCCFPKDDM-KGLIPLIRSA-N 2 0 372.326 3.122 20 0 FGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@H]2CCCOc3c(Cl)cccc32)CC1 ZINC000121161253 494623951 /nfs/dbraw/zinc/62/39/51/494623951.db2.gz SUTNNXIFOYDVAJ-LPHOPBHVSA-N 2 0 365.949 3.417 20 0 FGADRP CC[NH+](CC)CCC[NH2+]C1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000131452315 494624855 /nfs/dbraw/zinc/62/48/55/494624855.db2.gz RBXWGENRBRTKDP-UHFFFAOYSA-N 2 0 351.922 3.266 20 0 FGADRP C[C@H](CNC(=O)N1CCC[N@H+](Cc2ccccc2)CC1)C[NH+]1CCCCC1 ZINC000057042331 494627970 /nfs/dbraw/zinc/62/79/70/494627970.db2.gz KXYHZDAMDMVNGT-HXUWFJFHSA-N 2 0 372.557 3.026 20 0 FGADRP Cc1cc2ncc([C@H](C)[NH2+]Cc3ccc(F)c(C[NH+](C)C)c3)c(C)n2n1 ZINC000091725140 494657623 /nfs/dbraw/zinc/65/76/23/494657623.db2.gz HTBNGBSNDJHOQE-AWEZNQCLSA-N 2 0 355.461 3.398 20 0 FGADRP C[NH+](C)Cc1cccc(CNC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000057169606 494665879 /nfs/dbraw/zinc/66/58/79/494665879.db2.gz OLPYDPQKEGFOGG-JOCHJYFZSA-N 2 0 365.521 3.277 20 0 FGADRP Cc1ccc(C[NH2+]Cc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)s1 ZINC000108420673 494702769 /nfs/dbraw/zinc/70/27/69/494702769.db2.gz RDKSOVUKPBNLDL-GOSISDBHSA-N 2 0 357.523 3.044 20 0 FGADRP O=C(Nc1cccc(C[NH+]2CCSCC2)c1)[C@@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC000080610604 494743845 /nfs/dbraw/zinc/74/38/45/494743845.db2.gz BLUWDRXZEXYDIV-IEBWSBKVSA-N 2 0 359.539 3.048 20 0 FGADRP CCCn1ccc2cc(NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)ccc21 ZINC000131877782 494760887 /nfs/dbraw/zinc/76/08/87/494760887.db2.gz MOOUTQCQZYZYGH-UHFFFAOYSA-N 2 0 359.518 3.008 20 0 FGADRP C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)C[C@H](O)Cc1ccccc1 ZINC000092821068 494762798 /nfs/dbraw/zinc/76/27/98/494762798.db2.gz UMXMHIATFIYVJB-JOCHJYFZSA-N 2 0 353.510 3.224 20 0 FGADRP C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)CC[S@@](=O)c1ccccc1 ZINC000092821164 494762952 /nfs/dbraw/zinc/76/29/52/494762952.db2.gz VEZQAWFZRNHYLF-SANMLTNESA-N 2 0 371.550 3.428 20 0 FGADRP C[C@@H]1CCC[C@@H](C)N1C(=O)C[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821537 494763789 /nfs/dbraw/zinc/76/37/89/494763789.db2.gz PEBIVABXTLVNPP-RTBURBONSA-N 2 0 372.557 3.409 20 0 FGADRP CCC[NH+]1CCC(NC(=O)N(C)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000080717900 494776243 /nfs/dbraw/zinc/77/62/43/494776243.db2.gz VCMJDXYYZZWTLB-OAQYLSRUSA-N 2 0 372.557 3.167 20 0 FGADRP C[C@@H](C[NH2+][C@H]1CCCOc2cc3c(cc21)CCCC3)N1CC[NH+](C)CC1 ZINC000126660678 494813111 /nfs/dbraw/zinc/81/31/11/494813111.db2.gz PHVZQQNNMHVNST-UWJYYQICSA-N 2 0 357.542 3.005 20 0 FGADRP C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+]CC(C)(C)C[NH+](C)C ZINC000132105190 494820699 /nfs/dbraw/zinc/82/06/99/494820699.db2.gz IRRQUKMEFWBHBK-CYBMUJFWSA-N 2 0 370.335 3.344 20 0 FGADRP C[C@H](C(=O)N1CCC[C@H]1c1cccs1)[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000121648059 494830514 /nfs/dbraw/zinc/83/05/14/494830514.db2.gz WKVYHTJDYFTCBV-AEFFLSMTSA-N 2 0 363.571 3.464 20 0 FGADRP C[C@@H]1CCC[N@@H+]1C1CCN(C(=O)NCCCCCCC[NH+](C)C)CC1 ZINC000126764970 494833989 /nfs/dbraw/zinc/83/39/89/494833989.db2.gz ABQZPJMVPNUIPW-GOSISDBHSA-N 2 0 352.567 3.157 20 0 FGADRP Cc1cc(N2CCN(Cc3c[nH]nc3C(C)(C)C)CC2)nc(C(C)C)n1 ZINC000121735867 494848172 /nfs/dbraw/zinc/84/81/72/494848172.db2.gz BCJBNLPJIKDSNR-UHFFFAOYSA-N 2 0 356.518 3.251 20 0 FGADRP CSC1(C[NH2+][C@H]2C[C@@H](C)CN(Cc3ccccc3)C2)CC[NH+](C)CC1 ZINC000580384340 505746115 /nfs/dbraw/zinc/74/61/15/505746115.db2.gz QVBLGWVHHYTITO-QUCCMNQESA-N 2 0 361.599 3.314 20 0 FGADRP CC(C)[C@H](C[NH2+][C@H]1CCSc2ccc(F)cc21)N1CC[NH+](C)CC1 ZINC000132389589 494866256 /nfs/dbraw/zinc/86/62/56/494866256.db2.gz UPAQEZLSOGNPQK-ROUUACIJSA-N 2 0 351.535 3.224 20 0 FGADRP C[C@H](C(=O)Nc1cccc(C[NH+]2CCC(CO)CC2)c1)[NH+]1CCCCCC1 ZINC000126988291 494874026 /nfs/dbraw/zinc/87/40/26/494874026.db2.gz ZTDRYAMYZCBBDN-GOSISDBHSA-N 2 0 373.541 3.094 20 0 FGADRP CC[NH+](CC)Cc1ccc(C[NH2+][C@@H](C)CS(=O)(=O)c2ccccc2)cc1 ZINC000122016728 494910144 /nfs/dbraw/zinc/91/01/44/494910144.db2.gz KQWVFPFYGCPUCC-SFHVURJKSA-N 2 0 374.550 3.480 20 0 FGADRP Cc1ccc(-c2n[nH]cc2C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)o1 ZINC000093734948 494915301 /nfs/dbraw/zinc/91/53/01/494915301.db2.gz KFNGEUZNBZLLLR-UHFFFAOYSA-N 2 0 358.486 3.055 20 0 FGADRP COCC[N@H+](C)CCCC1CC[NH+](Cc2nc3ccccc3n2C)CC1 ZINC000122083360 494921366 /nfs/dbraw/zinc/92/13/66/494921366.db2.gz FCMFFZVGIIUQDH-UHFFFAOYSA-N 2 0 358.530 3.144 20 0 FGADRP Cc1ccc(Cl)cc1NC(=O)N(CC[NH+](C)C)C1CC[NH+](C)CC1 ZINC000122140449 494930239 /nfs/dbraw/zinc/93/02/39/494930239.db2.gz WMZWITZKXKUYBC-UHFFFAOYSA-N 2 0 352.910 3.138 20 0 FGADRP OC[C@H]1CCC[N@@H+]1CCCC[NH2+][C@@H]1CCCc2ncc(C(F)(F)F)cc21 ZINC000132931648 494945205 /nfs/dbraw/zinc/94/52/05/494945205.db2.gz RFTTZVMCWSLNLX-NVXWUHKLSA-N 2 0 371.447 3.304 20 0 FGADRP C[C@@H](C[NH2+][C@H]1CCCOc2c(Cl)c(Cl)ccc21)N1CC[NH+](C)CC1 ZINC000127709593 494984905 /nfs/dbraw/zinc/98/49/05/494984905.db2.gz FUBUKBLRYGFRHD-BBRMVZONSA-N 2 0 372.340 3.433 20 0 FGADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)NCC[C@@H](C)[NH+](C)Cc2ccccc2)C1 ZINC000122570128 494996732 /nfs/dbraw/zinc/99/67/32/494996732.db2.gz WDOLHCQNHJMTIR-TZIWHRDSSA-N 2 0 374.573 3.174 20 0 FGADRP CC[C@H]([NH2+]C[C@@H](C)N1CC[NH+](C)CC1)c1ccc(Br)cc1 ZINC000127811337 495002111 /nfs/dbraw/zinc/00/21/11/495002111.db2.gz GCBDWIWGFNBMMV-PBHICJAKSA-N 2 0 354.336 3.126 20 0 FGADRP CCC[N@H+](CC)C[C@H](C)NC(=O)N[C@H]1CC[NH+]([C@@H](C)c2ccccc2)C1 ZINC000580417620 505755269 /nfs/dbraw/zinc/75/52/69/505755269.db2.gz RZGLYEMDWXSXGM-BJLQDIEVSA-N 2 0 360.546 3.242 20 0 FGADRP CCC[NH+]1CCC(C[NH2+][C@@H](C)c2nnn(-c3ccc(F)cc3)c2C)CC1 ZINC000122744233 495024538 /nfs/dbraw/zinc/02/45/38/495024538.db2.gz FJBFCHVNYINOHW-HNNXBMFYSA-N 2 0 359.493 3.487 20 0 FGADRP Cc1ccc(NC(=O)NC(=O)[C@H](C)[NH+]2CCC(CC[NH+](C)C)CC2)c(C)c1 ZINC000118868008 495051252 /nfs/dbraw/zinc/05/12/52/495051252.db2.gz HVAQSERRNIWKTD-KRWDZBQOSA-N 2 0 374.529 3.004 20 0 FGADRP COCC[N@H+](C)CCCNCc1cc2ccccc2nc1N1CCCCC1 ZINC000101592029 495082962 /nfs/dbraw/zinc/08/29/62/495082962.db2.gz WYWVJYAWXMUIBW-UHFFFAOYSA-N 2 0 370.541 3.283 20 0 FGADRP C[NH+](C)CCNC(=O)c1cccc(C[NH2+][C@H]2CCCc3ccccc32)c1 ZINC000112542225 495202861 /nfs/dbraw/zinc/20/28/61/495202861.db2.gz TYZROIAXTZVCEL-NRFANRHFSA-N 2 0 351.494 3.145 20 0 FGADRP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCCCCC1)C(=O)NCC(F)(F)F ZINC000112708763 495227808 /nfs/dbraw/zinc/22/78/08/495227808.db2.gz HVGUPQLIYJESDR-HNNXBMFYSA-N 2 0 371.447 3.219 20 0 FGADRP C[C@@H]1C[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C[N@@H+]1Cc1ccccc1 ZINC000577647427 505770067 /nfs/dbraw/zinc/77/00/67/505770067.db2.gz NUFVKICSYQTQBW-XMSQKQJNSA-N 2 0 365.521 3.184 20 0 FGADRP CCC[N@@H+]1CC[C@@H](CNC(=O)N(C)C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000113552749 495313903 /nfs/dbraw/zinc/31/39/03/495313903.db2.gz GYOHWGRQFIBPCF-FQEVSTJZSA-N 2 0 372.557 3.024 20 0 FGADRP CCN(CC)C(=O)[C@H](c1ccccc1)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000120232942 495332571 /nfs/dbraw/zinc/33/25/71/495332571.db2.gz APJNRYFMULJLQJ-NRFANRHFSA-N 2 0 357.542 3.404 20 0 FGADRP C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)N3CCC[C@H]([NH+](C)C)C3)cc2)C1 ZINC000105113304 495337820 /nfs/dbraw/zinc/33/78/20/495337820.db2.gz KADRFQKNWLKDDA-RXVVDRJESA-N 2 0 372.557 3.154 20 0 FGADRP CC(C)[NH+]1CCC(NC(=O)N2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)CC1 ZINC000114016657 495344246 /nfs/dbraw/zinc/34/42/46/495344246.db2.gz QWPONJCDNGIKOA-MOPGFXCFSA-N 2 0 364.578 3.155 20 0 FGADRP CC[N@H+](C)Cc1cccc(CNC(=O)NC[C@H]2CCC[NH+](C(C)C)C2)c1 ZINC000105207321 495345131 /nfs/dbraw/zinc/34/51/31/495345131.db2.gz AEJASLMXYHBIKS-HXUWFJFHSA-N 2 0 360.546 3.058 20 0 FGADRP CC[N@H+](C)Cc1cccc(CNC(=O)N2CCC[C@H]2C[NH+]2CCCCC2)c1 ZINC000105207403 495345676 /nfs/dbraw/zinc/34/56/76/495345676.db2.gz SSWQCSMOLJCZGY-NRFANRHFSA-N 2 0 372.557 3.298 20 0 FGADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)[C@H](C)C1 ZINC000120310161 495349676 /nfs/dbraw/zinc/34/96/76/495349676.db2.gz CKOJVFYYOMUIFO-WIYYLYMNSA-N 2 0 372.557 3.023 20 0 FGADRP C[C@H](CC(=O)NCC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH2+]C1 ZINC000574450901 505776503 /nfs/dbraw/zinc/77/65/03/505776503.db2.gz XLIJFFJEYBOTLA-UGESXGAOSA-N 2 0 371.569 3.429 20 0 FGADRP COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]CC(C)(C)C[NH+](C)C ZINC000120423487 495373738 /nfs/dbraw/zinc/37/37/38/495373738.db2.gz QRPSWAXLUYWSMR-ZDUSSCGKSA-N 2 0 355.910 3.243 20 0 FGADRP CC1CC[NH+](C2CCC(NC(=O)NCc3cn4ccccc4n3)CC2)CC1 ZINC000120442212 495379431 /nfs/dbraw/zinc/37/94/31/495379431.db2.gz YFTWXFNBVHVRJM-UHFFFAOYSA-N 2 0 369.513 3.177 20 0 FGADRP CC[NH+]1CCN([C@H]2CC[N@H+](CCCOc3cccc(C(C)(C)C)c3)C2)CC1 ZINC000114563003 495392295 /nfs/dbraw/zinc/39/22/95/495392295.db2.gz JRLPLSDSYKTYRU-NRFANRHFSA-N 2 0 373.585 3.465 20 0 FGADRP CCc1nc(C)c([C@@H](C)[NH2+]Cc2ccc(N3CC[NH+](C)CC3)nc2)s1 ZINC000130447562 495393493 /nfs/dbraw/zinc/39/34/93/495393493.db2.gz SPOYFPOZWMDDQN-CQSZACIVSA-N 2 0 359.543 3.012 20 0 FGADRP Cc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(N3CC[NH+](C)CC3)nc1)CCCO2 ZINC000130501485 495401638 /nfs/dbraw/zinc/40/16/38/495401638.db2.gz OMYLYTDFJVLTPY-FQEVSTJZSA-N 2 0 366.509 3.145 20 0 FGADRP C[C@H]([NH2+]CCc1cn2ccccc2n1)c1cccc(OCC[NH+](C)C)c1 ZINC000130591585 495416420 /nfs/dbraw/zinc/41/64/20/495416420.db2.gz NAYDVYFRGOIGPJ-KRWDZBQOSA-N 2 0 352.482 3.168 20 0 FGADRP Cc1nccn1CCC[N@@H+](C)CC(=O)Nc1ccc(N2CCCC2)cc1C ZINC000130605348 495418347 /nfs/dbraw/zinc/41/83/47/495418347.db2.gz UPLBEGIZUFLCFM-UHFFFAOYSA-N 2 0 369.513 3.061 20 0 FGADRP CC[N@H+](C)Cc1cccc(CNC(=O)NC2CCC(C[NH+](C)C)CC2)c1 ZINC000125275110 495418535 /nfs/dbraw/zinc/41/85/35/495418535.db2.gz BRAHTZUWQXPJLO-UHFFFAOYSA-N 2 0 360.546 3.058 20 0 FGADRP COCc1ccc(C[NH2+]CCCC[NH+]2CCN(c3cccc(C)c3)CC2)o1 ZINC000125342271 495429624 /nfs/dbraw/zinc/42/96/24/495429624.db2.gz VFYGNFWQGJLXRG-UHFFFAOYSA-N 2 0 371.525 3.426 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)NC1CCC(C[NH+](C)C)CC1)c1ccccc1 ZINC000137430064 495440799 /nfs/dbraw/zinc/44/07/99/495440799.db2.gz ZOCMHUXOMYPYAV-MNLRITNHSA-N 2 0 374.573 3.489 20 0 FGADRP C[C@H]1C[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C[N@@H+]1Cc1ccccc1 ZINC000137482578 495442295 /nfs/dbraw/zinc/44/22/95/495442295.db2.gz DYNRKIAFEIYFLX-UWJYYQICSA-N 2 0 351.494 3.141 20 0 FGADRP C[C@@H](C[NH2+][C@@H](C)CC(=O)Nc1cccnc1Cl)C[NH+]1CCCCC1 ZINC000125566030 495464095 /nfs/dbraw/zinc/46/40/95/495464095.db2.gz CAFINOLSIBHILU-GJZGRUSLSA-N 2 0 352.910 3.164 20 0 FGADRP CC(=O)N1CC[C@H]([NH2+]CC2([NH3+])C3CC4CC(C3)CC2C4)c2ccccc2C1 ZINC000580550981 505784787 /nfs/dbraw/zinc/78/47/87/505784787.db2.gz NKKVGAMCSZGALE-OAWJIPTQSA-N 2 0 367.537 3.223 20 0 FGADRP CC[NH+]1CCN(CCC[NH2+][C@@H](C)c2ccc(Br)c(F)c2)CC1 ZINC000131127242 495495354 /nfs/dbraw/zinc/49/53/54/495495354.db2.gz QMKAPPKRXAPZMM-AWEZNQCLSA-N 2 0 372.326 3.266 20 0 FGADRP CC[N@H+](Cc1ccc(C(=O)N[C@@H]2CC[NH+](C3CCCC3)C2)cc1)C1CC1 ZINC000106791233 495497623 /nfs/dbraw/zinc/49/76/23/495497623.db2.gz DHPMDBHGGYJLCD-LJQANCHMSA-N 2 0 355.526 3.418 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)N1CCC(CC[NH+](C)C)CC1)c1ccccc1 ZINC000125825176 495504241 /nfs/dbraw/zinc/50/42/41/495504241.db2.gz HQDZUPLMAVCFRF-NRFANRHFSA-N 2 0 374.573 3.443 20 0 FGADRP CC[C@H]([NH2+]C[C@H](C)CN1CC[NH+](C)CC1)c1cccc(Br)c1 ZINC000121035095 495508807 /nfs/dbraw/zinc/50/88/07/495508807.db2.gz NBBITZLBUUJTIN-YJBOKZPZSA-N 2 0 368.363 3.373 20 0 FGADRP CC[NH+]1CCN([C@@H]2CC[N@H+](CCCOc3cccc4ccccc43)C2)CC1 ZINC000107368143 495525890 /nfs/dbraw/zinc/52/58/90/495525890.db2.gz FCVKUXZONREHDF-OAQYLSRUSA-N 2 0 367.537 3.321 20 0 FGADRP Cc1ccc(S(=O)(=O)[C@H]2CCCC[C@@H]2[NH2+]CC2CC[NH+](C)CC2)cc1 ZINC000185359074 495547067 /nfs/dbraw/zinc/54/70/67/495547067.db2.gz NBJNWJGIJVMYGT-PMACEKPBSA-N 2 0 364.555 3.011 20 0 FGADRP CC[NH+](CC)CCCC1CCN(C(=O)NC2CC[NH+](C(C)C)CC2)CC1 ZINC000182398903 495547689 /nfs/dbraw/zinc/54/76/89/495547689.db2.gz UHYGCVVPTWOJSI-UHFFFAOYSA-N 2 0 366.594 3.403 20 0 FGADRP CCOc1ccc(Cl)cc1[C@H](C)[NH2+]CCCN1CC[NH+](CC)CC1 ZINC000154257181 495559096 /nfs/dbraw/zinc/55/90/96/495559096.db2.gz KRLDKSKCGMKZNI-INIZCTEOSA-N 2 0 353.938 3.417 20 0 FGADRP CC[NH+]1CCN(CCC[NH2+][C@H](C)c2ccc(F)cc2OC(F)F)CC1 ZINC000154320946 495579902 /nfs/dbraw/zinc/57/99/02/495579902.db2.gz AJOFKGVHYKRVMU-CQSZACIVSA-N 2 0 359.436 3.105 20 0 FGADRP C[C@H]([NH2+]CCCC[NH+]1CCN(C)CC1)[C@H](C)c1nc2ccccc2s1 ZINC000154389133 495601403 /nfs/dbraw/zinc/60/14/03/495601403.db2.gz KODGBDSXIGYJRS-IRXDYDNUSA-N 2 0 360.571 3.406 20 0 FGADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)NC2CC[NH+](C3CCCCC3)CC2)C1 ZINC000176331412 495603924 /nfs/dbraw/zinc/60/39/24/495603924.db2.gz LFCPHSMIPQKJJD-GOSISDBHSA-N 2 0 364.578 3.203 20 0 FGADRP Cc1ccc(OC(F)F)c([C@@H](C)NC[C@@H](O)C[NH+]2CCC(C)CC2)c1 ZINC000158893070 495609850 /nfs/dbraw/zinc/60/98/50/495609850.db2.gz NVUTXQSWEVIATJ-HZPDHXFCSA-N 2 0 356.457 3.340 20 0 FGADRP CC[NH+](CC)CCCC1CCN(C(=O)N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)CC1 ZINC000182588573 495627157 /nfs/dbraw/zinc/62/71/57/495627157.db2.gz PPRKSXJSNIDZRC-MJGOQNOKSA-N 2 0 364.578 3.155 20 0 FGADRP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)C[C@H](O)COc3ccccc3)C2)s1 ZINC000568853092 505793577 /nfs/dbraw/zinc/79/35/77/505793577.db2.gz XIBYGXCTMGQMAC-OALUTQOASA-N 2 0 374.550 3.250 20 0 FGADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000176391023 495632542 /nfs/dbraw/zinc/63/25/42/495632542.db2.gz REDKWLNAAKNSMC-RTWAWAEBSA-N 2 0 370.541 3.051 20 0 FGADRP CC(C)[C@H](CNC(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)[NH+]1CCCC1 ZINC000182616237 495637552 /nfs/dbraw/zinc/63/75/52/495637552.db2.gz FCDLEITZFMUFCL-NSHGMRRFSA-N 2 0 364.578 3.059 20 0 FGADRP C[NH+]1CCN(c2ncccc2C[NH2+][C@H]2CCCc3cc(F)ccc32)CC1 ZINC000182632153 495643888 /nfs/dbraw/zinc/64/38/88/495643888.db2.gz VEWZOHRAXNKMAW-FQEVSTJZSA-N 2 0 354.473 3.140 20 0 FGADRP CC[C@@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)c1ccc2c(c1)CCO2 ZINC000159161434 495672145 /nfs/dbraw/zinc/67/21/45/495672145.db2.gz KYGFDAJSYOZNHS-HXUWFJFHSA-N 2 0 366.509 3.009 20 0 FGADRP C[N@@H+]1CCC[C@H]2C[NH+](C[C@H](O)Cc3ccc(C(F)(F)F)cc3)CC[C@@H]21 ZINC000159159566 495672531 /nfs/dbraw/zinc/67/25/31/495672531.db2.gz DUXKXKSJFFIKIG-JQHSSLGASA-N 2 0 356.432 3.025 20 0 FGADRP Cc1ccc2c(c1)[C@H]([NH2+]Cc1ccnc(N3CC[NH+](C)CC3)c1)CCCO2 ZINC000159168540 495674281 /nfs/dbraw/zinc/67/42/81/495674281.db2.gz JVXDXEAXQSTQEH-HXUWFJFHSA-N 2 0 366.509 3.145 20 0 FGADRP C[C@@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)c1cc2c(s1)CCC2 ZINC000159169800 495675643 /nfs/dbraw/zinc/67/56/43/495675643.db2.gz GJLXMAICRFZEBF-OAHLLOKOSA-N 2 0 356.539 3.234 20 0 FGADRP CN(C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000176565119 495701038 /nfs/dbraw/zinc/70/10/38/495701038.db2.gz RSYRKSJPQJHOBF-FPOVZHCZSA-N 2 0 372.557 3.165 20 0 FGADRP CC[NH+](CC)CCCNC(=O)C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000150994416 495705138 /nfs/dbraw/zinc/70/51/38/495705138.db2.gz DZZCCXAZXXVCHE-UHFFFAOYSA-N 2 0 365.949 3.400 20 0 FGADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)N(C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000176626145 495724776 /nfs/dbraw/zinc/72/47/76/495724776.db2.gz SSOIBJAZDDPKAV-LEWJYISDSA-N 2 0 372.557 3.024 20 0 FGADRP CC[NH+](CC)Cc1ccccc1C[NH2+][C@@H](Cc1ccc(Cl)cc1)C(N)=O ZINC000185878857 495761745 /nfs/dbraw/zinc/76/17/45/495761745.db2.gz VZMQDAYBSKWZMH-FQEVSTJZSA-N 2 0 373.928 3.368 20 0 FGADRP C[NH2+][C@H](CC(C)(C)C)C(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000577846773 505803478 /nfs/dbraw/zinc/80/34/78/505803478.db2.gz ZIBWPFOJGITETD-ZMSDIMECSA-N 2 0 351.560 3.271 20 0 FGADRP Cc1nc(-c2cc([C@@H](C)[NH2+][C@H](C)CN3CC[NH+](C)CC3)cs2)cs1 ZINC000155001617 495800268 /nfs/dbraw/zinc/80/02/68/495800268.db2.gz KFNMIBADUVOIKJ-ZIAGYGMSSA-N 2 0 364.584 3.467 20 0 FGADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1cc(Cl)ccc1OC(F)F ZINC000155076573 495827422 /nfs/dbraw/zinc/82/74/22/495827422.db2.gz GWOXPXLGJJUDPB-STQMWFEESA-N 2 0 361.864 3.228 20 0 FGADRP Cc1nn(C)c(C)c1C[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000183134613 495849839 /nfs/dbraw/zinc/84/98/39/495849839.db2.gz QXGPTDTUSTVUDG-BAGYTPMASA-N 2 0 352.526 3.427 20 0 FGADRP CC[C@H](C(=O)Nc1ccc(OC)cc1)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000171388013 495850506 /nfs/dbraw/zinc/85/05/06/495850506.db2.gz BRRFZZWCIONMEM-HXUWFJFHSA-N 2 0 359.514 3.220 20 0 FGADRP CC[N@H+](Cc1ccc(C(=O)N2CC[C@@H]3[C@H](CCC[NH+]3C)C2)cc1)C1CC1 ZINC000155193011 495869845 /nfs/dbraw/zinc/86/98/45/495869845.db2.gz CCRMSJVREGVPLY-TZIWHRDSSA-N 2 0 355.526 3.227 20 0 FGADRP CC(C)C(=O)NCCC[NH2+][C@@H]1CCCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000571768756 505810617 /nfs/dbraw/zinc/81/06/17/505810617.db2.gz NNUZOZQFEOXFIH-BHDDXSALSA-N 2 0 371.569 3.429 20 0 FGADRP [NH3+]CCOc1ccc(NC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2)cc1 ZINC000183268857 495908832 /nfs/dbraw/zinc/90/88/32/495908832.db2.gz NMXRCYGFNWIVIW-FQEVSTJZSA-N 2 0 353.466 3.017 20 0 FGADRP Cc1ccccc1[C@@H](CN1CCOCC1)[NH2+]Cc1cccc(C[NH+](C)C)c1 ZINC000183326758 495932496 /nfs/dbraw/zinc/93/24/96/495932496.db2.gz LMEHIZOCPANQJP-HSZRJFAPSA-N 2 0 367.537 3.220 20 0 FGADRP CC(C)Cn1cc(C[NH+]2CCC(CC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)cn1 ZINC000183392371 495960239 /nfs/dbraw/zinc/96/02/39/495960239.db2.gz BYVNSKMFLKCRBY-OALUTQOASA-N 2 0 362.562 3.250 20 0 FGADRP CC(C)[NH+]1CCC(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000174458612 495968307 /nfs/dbraw/zinc/96/83/07/495968307.db2.gz QHPKYRGDOGYZGO-UHFFFAOYSA-N 2 0 357.542 3.409 20 0 FGADRP C[C@@H]1C[C@@H]([NH2+]CC2CC[NH+](CCO)CC2)c2cccc(Br)c21 ZINC000151857833 495971667 /nfs/dbraw/zinc/97/16/67/495971667.db2.gz MTFSJXCZAUFJEP-CXAGYDPISA-N 2 0 367.331 3.291 20 0 FGADRP COCCC[NH+]1CCC([NH2+][C@@H]2CCc3[nH]c4ccc(C)cc4c3C2)CC1 ZINC000180403149 495982086 /nfs/dbraw/zinc/98/20/86/495982086.db2.gz PSVVCBBGZQPIAS-GOSISDBHSA-N 2 0 355.526 3.424 20 0 FGADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H](C)c2ccc(Br)cc2)CC1 ZINC000177216665 495982438 /nfs/dbraw/zinc/98/24/38/495982438.db2.gz ILNGEUAZYLDKBX-LSDHHAIUSA-N 2 0 354.336 3.126 20 0 FGADRP C[N@H+](CCCNC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1)Cc1ccccc1 ZINC000155556860 495993277 /nfs/dbraw/zinc/99/32/77/495993277.db2.gz HEQZJNUBRJBXDO-OAQYLSRUSA-N 2 0 372.557 3.168 20 0 FGADRP COc1ccc([C@@H]([NH2+]C[C@H](C)CN2CC[NH+](C)CC2)c2ccccc2)cc1 ZINC000180438577 495995883 /nfs/dbraw/zinc/99/58/83/495995883.db2.gz VWRPXMGTOADCIA-CVDCTZTESA-N 2 0 367.537 3.258 20 0 FGADRP COc1ccc([C@H]([NH2+]C[C@H](C)N2CC[NH+](C)CC2)c2ccccc2)cc1 ZINC000180464125 496006203 /nfs/dbraw/zinc/00/62/03/496006203.db2.gz ROVASJCFGBTFSY-PGRDOPGGSA-N 2 0 353.510 3.010 20 0 FGADRP C[C@H](C[NH2+][C@H](c1ccccc1)c1ccc(F)cc1)CN1CC[NH+](C)CC1 ZINC000177294299 496009169 /nfs/dbraw/zinc/00/91/69/496009169.db2.gz DCFRCKYXSBTTQK-XMSQKQJNSA-N 2 0 355.501 3.388 20 0 FGADRP C[NH+](C)Cc1ccc(CNC(=O)NC2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000177328344 496019916 /nfs/dbraw/zinc/01/99/16/496019916.db2.gz KBEWATWODHAATI-UHFFFAOYSA-N 2 0 372.557 3.345 20 0 FGADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H]2CCSc3ccc(Cl)cc32)CC1 ZINC000155639230 496022022 /nfs/dbraw/zinc/02/20/22/496022022.db2.gz JISWRYHXAYMNQE-YOEHRIQHSA-N 2 0 353.963 3.493 20 0 FGADRP CC(C)CC[NH+]1CCC(CNC(=O)N(CC[NH+](C)C)C2CCCC2)CC1 ZINC000152034301 496027267 /nfs/dbraw/zinc/02/72/67/496027267.db2.gz CDSGPFWZSSOVOE-UHFFFAOYSA-N 2 0 366.594 3.260 20 0 FGADRP C[NH+](C)Cc1cccc(C(=O)NCC(C)(C)[N@@H+]2CCc3ccccc3C2)c1 ZINC000155698813 496039401 /nfs/dbraw/zinc/03/94/01/496039401.db2.gz OMDIPHUWTOGALT-UHFFFAOYSA-N 2 0 365.521 3.315 20 0 FGADRP Cc1nc(-c2cccnc2)sc1[C@@H](C)[NH2+][C@@H](C)CCN1CC[NH+](C)CC1 ZINC000186565928 496048842 /nfs/dbraw/zinc/04/88/42/496048842.db2.gz NCJKYKIXQFLFMC-JKSUJKDBSA-N 2 0 373.570 3.190 20 0 FGADRP C[C@@H]([NH2+][C@@H](C)CCN1CC[NH+](C)CC1)c1ccc(F)cc1Br ZINC000186586426 496057975 /nfs/dbraw/zinc/05/79/75/496057975.db2.gz ZELLOPHXASERNC-UONOGXRCSA-N 2 0 372.326 3.265 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)[C@H]([NH3+])C1CCC1)c1ccc(C(F)(F)F)cc1 ZINC000580711933 505820896 /nfs/dbraw/zinc/82/08/96/505820896.db2.gz RAHKRICDPGLTBF-DLBZAZTESA-N 2 0 371.447 3.332 20 0 FGADRP CC(C)c1ccc(-c2noc(CN3C[C@H](C[NH3+])C4(C3)CCOCC4)n2)cc1 ZINC000574637876 505821407 /nfs/dbraw/zinc/82/14/07/505821407.db2.gz IYXMIAAALJQROH-SFHVURJKSA-N 2 0 370.497 3.047 20 0 FGADRP C[C@@H]1C[N@@H+](CCC2CC[NH+](CCC(=O)Nc3ccccc3)CC2)C[C@H](C)O1 ZINC000177505348 496090116 /nfs/dbraw/zinc/09/01/16/496090116.db2.gz VPRDJXJYONIVOR-KDURUIRLSA-N 2 0 373.541 3.227 20 0 FGADRP CC(=O)Nc1cccc(C[NH+]2CCC(CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c1 ZINC000177510721 496091898 /nfs/dbraw/zinc/09/18/98/496091898.db2.gz AOQSZVQMPKUTKG-HDICACEKSA-N 2 0 373.541 3.356 20 0 FGADRP C[NH+](C)CCN(Cc1ccccc1F)C(=O)c1cccc(C[NH+](C)C)c1 ZINC000174754867 496092627 /nfs/dbraw/zinc/09/26/27/496092627.db2.gz GDOABQCEPGINOX-UHFFFAOYSA-N 2 0 357.473 3.091 20 0 FGADRP CN(c1ccccc1C[N@H+](C)CCc1ccncc1)C1CC[NH+](C)CC1 ZINC000183762112 496108063 /nfs/dbraw/zinc/10/80/63/496108063.db2.gz XHEHWEWWKYWENT-UHFFFAOYSA-N 2 0 352.526 3.287 20 0 FGADRP C[NH+](C)[C@@H](CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)c1cccc(F)c1 ZINC000177600642 496127819 /nfs/dbraw/zinc/12/78/19/496127819.db2.gz DUAQIQZILNMYBO-PXNSSMCTSA-N 2 0 361.505 3.199 20 0 FGADRP CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+]CC2(C[NH+](C)C)CCCC2)cc1 ZINC000183954846 496175354 /nfs/dbraw/zinc/17/53/54/496175354.db2.gz HSKUVEWBFCPUTA-MRXNPFEDSA-N 2 0 367.559 3.221 20 0 FGADRP C[N@H+](CCCNC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1)C1CCCCC1 ZINC000156342902 496220820 /nfs/dbraw/zinc/22/08/20/496220820.db2.gz MDBRNCFVIPOQLH-HXUWFJFHSA-N 2 0 364.578 3.301 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)N1CC[C@H](C[N@@H+](C)CC)C1)c1ccsc1 ZINC000177851255 496223543 /nfs/dbraw/zinc/22/35/43/496223543.db2.gz KECHYYFNYGUTMM-AEFFLSMTSA-N 2 0 366.575 3.114 20 0 FGADRP CC[N@H+](C)C[C@H]1CCN(C(=O)NC[C@@H](c2ccc(C)cc2)[NH+]2CCCC2)C1 ZINC000177867258 496232028 /nfs/dbraw/zinc/23/20/28/496232028.db2.gz PRQVPWASUYXNPC-CTNGQTDRSA-N 2 0 372.557 3.115 20 0 FGADRP CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)N[C@H]1CC(C)(C)c2ccccc21 ZINC000152739797 496241846 /nfs/dbraw/zinc/24/18/46/496241846.db2.gz FAYNCARMKDXEFV-FQEVSTJZSA-N 2 0 372.557 3.076 20 0 FGADRP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000181058105 496255783 /nfs/dbraw/zinc/25/57/83/496255783.db2.gz UBNDLBQMNNXGAO-LJQANCHMSA-N 2 0 372.557 3.024 20 0 FGADRP CC(C)[N@H+](C)Cc1cccc(C[NH2+][C@H](C)c2ccc(-n3cnnn3)cc2)c1 ZINC000177979760 496274297 /nfs/dbraw/zinc/27/42/97/496274297.db2.gz NOJPVOLDZGJGCE-QGZVFWFLSA-N 2 0 364.497 3.353 20 0 FGADRP CC[NH+](CC)CCCNC(=O)C1CC[NH+]([C@@H](C)c2cccc(F)c2)CC1 ZINC000172431575 496295751 /nfs/dbraw/zinc/29/57/51/496295751.db2.gz SNGVXWCYHCGTHM-KRWDZBQOSA-N 2 0 363.521 3.447 20 0 FGADRP Cc1cncc([C@H](C)[NH2+]CCCN2CC[N@H+](C)C[C@@H]2c2ccccc2)c1 ZINC000184275258 496315243 /nfs/dbraw/zinc/31/52/43/496315243.db2.gz VFRAUEOGADGYNQ-SIKLNZKXSA-N 2 0 352.526 3.419 20 0 FGADRP O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000172507670 496321675 /nfs/dbraw/zinc/32/16/75/496321675.db2.gz VSCFYCMPPKZBJQ-LJQANCHMSA-N 2 0 374.529 3.076 20 0 FGADRP C[C@H]1C[C@H](NC(=O)NCCC[NH+]2CCCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000175327887 496340652 /nfs/dbraw/zinc/34/06/52/496340652.db2.gz LTUUREQTPBJLGY-PZJWPPBQSA-N 2 0 372.557 3.215 20 0 FGADRP COc1cccc(C[C@H]([NH2+]CCCN2CC[NH+](C)CC2)c2ccccc2)c1 ZINC000162501096 496363251 /nfs/dbraw/zinc/36/32/51/496363251.db2.gz WAOUIVIROMDPFH-QHCPKHFHSA-N 2 0 367.537 3.206 20 0 FGADRP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+](C(C)C)C2CCC2)CC1 ZINC000172663964 496378913 /nfs/dbraw/zinc/37/89/13/496378913.db2.gz MCGKNEXXRICEQV-UHFFFAOYSA-N 2 0 357.542 3.339 20 0 FGADRP O=C1Nc2ccccc2C12CCC([NH2+]C1CC[NH+](CC3CC3)CC1)CC2 ZINC000178257395 496388955 /nfs/dbraw/zinc/38/89/55/496388955.db2.gz INVUKHWVMYGJLA-UHFFFAOYSA-N 2 0 353.510 3.283 20 0 FGADRP C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]CCC[N@H+](C)Cc1ccccc1 ZINC000162765493 496409755 /nfs/dbraw/zinc/40/97/55/496409755.db2.gz SMLKGKFZYLOLQR-OFNKIYASSA-N 2 0 366.553 3.404 20 0 FGADRP C[C@@H]1C[N@@H+](CCCC[NH2+]C2CC[NH+](C3CCCCC3)CC2)C[C@H](C)O1 ZINC000162842489 496421592 /nfs/dbraw/zinc/42/15/92/496421592.db2.gz AVSMQNSHGPBMGU-KDURUIRLSA-N 3 0 351.579 3.263 20 0 FGADRP CSc1ccc([C@H](CNC(=O)[C@H](C)[NH+]2CCCCCC2)[NH+](C)C)cc1 ZINC000571913302 505845202 /nfs/dbraw/zinc/84/52/02/505845202.db2.gz KDJVYAQHMZSLOR-LPHOPBHVSA-N 2 0 363.571 3.392 20 0 FGADRP CC[NH+](CC)[C@H](C(=O)NC[C@H]([NH3+])C(C)C)c1cccc(C(F)(F)F)c1 ZINC000157332441 496456259 /nfs/dbraw/zinc/45/62/59/496456259.db2.gz YHBFTQFETCEHAJ-HOTGVXAUSA-N 2 0 359.436 3.188 20 0 FGADRP C[C@H]([NH2+]CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)C1CCCC1 ZINC000184649293 496479872 /nfs/dbraw/zinc/47/98/72/496479872.db2.gz AXBMFFARRGWLRD-INIZCTEOSA-N 2 0 361.555 3.342 20 0 FGADRP CC[NH+]1CCC(N(C)CC(=O)NCc2ccccc2OC2CCCC2)CC1 ZINC000157484591 496485829 /nfs/dbraw/zinc/48/58/29/496485829.db2.gz UHIVEOFWWVSGNH-UHFFFAOYSA-N 2 0 373.541 3.040 20 0 FGADRP COCc1noc([C@@H](C)N2CCC(C[N@H+](C)Cc3ccccc3)CC2)n1 ZINC000181702712 496509375 /nfs/dbraw/zinc/50/93/75/496509375.db2.gz VIMNGRHEUYTZAC-MRXNPFEDSA-N 2 0 358.486 3.121 20 0 FGADRP Cc1cc(C[NH+]2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)c(C)s1 ZINC000172984047 496509776 /nfs/dbraw/zinc/50/97/76/496509776.db2.gz MORNZPDGNCVWRE-UHFFFAOYSA-N 2 0 365.587 3.281 20 0 FGADRP C[C@H](C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)c1cccc(Cl)c1 ZINC000187650556 496521390 /nfs/dbraw/zinc/52/13/90/496521390.db2.gz JQYAVBIOBVOSDW-MRXNPFEDSA-N 2 0 358.917 3.380 20 0 FGADRP Cc1cccc2c1CC[C@H]2[NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000163498207 496524144 /nfs/dbraw/zinc/52/41/44/496524144.db2.gz CGWBQQUUGQDIHP-HXUWFJFHSA-N 2 0 357.542 3.199 20 0 FGADRP C[C@@H](C[NH2+][C@@H](C)c1cc(Br)ccc1F)CN1CC[NH+](C)CC1 ZINC000178690763 496542222 /nfs/dbraw/zinc/54/22/22/496542222.db2.gz JQYBOCGIHHTHTI-KBPBESRZSA-N 2 0 372.326 3.122 20 0 FGADRP C[C@@H]([NH2+]CCCC[NH+]1CCN(c2ccccc2)CC1)c1cncc(F)c1 ZINC000178698922 496544034 /nfs/dbraw/zinc/54/40/34/496544034.db2.gz MRNUOKXCDBLSNQ-GOSISDBHSA-N 2 0 356.489 3.474 20 0 FGADRP c1cnn([C@H]2CCC[NH+](CCCCC[N@@H+]3CCC[C@H](n4cccn4)C3)C2)c1 ZINC000157777574 496552818 /nfs/dbraw/zinc/55/28/18/496552818.db2.gz TUYVZAGECDRLKA-SFTDATJTSA-N 2 0 370.545 3.224 20 0 FGADRP CC[NH+](CC)Cc1ccccc1C[NH2+][C@@H](C)c1ccc(-n2cnnn2)cc1 ZINC000163790299 496558658 /nfs/dbraw/zinc/55/86/58/496558658.db2.gz UZJHHHXBIHEHHO-KRWDZBQOSA-N 2 0 364.497 3.355 20 0 FGADRP COCC[N@H+](C)CCC[NH2+][C@@H](C)c1ccc(OC)c(Br)c1 ZINC000153723618 496559266 /nfs/dbraw/zinc/55/92/66/496559266.db2.gz HTOBUSBXUWOIII-ZDUSSCGKSA-N 2 0 359.308 3.077 20 0 FGADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000163816104 496560742 /nfs/dbraw/zinc/56/07/42/496560742.db2.gz LYOYPMLDEKPKHI-LPHOPBHVSA-N 2 0 372.557 3.115 20 0 FGADRP CC[NH+]1CCN(CCC[NH2+][C@H]2CCCSc3ccc(OC)cc32)CC1 ZINC000187765922 496563148 /nfs/dbraw/zinc/56/31/48/496563148.db2.gz MQSKWAYTYITVSY-IBGZPJMESA-N 2 0 363.571 3.239 20 0 FGADRP COc1cc2c(cc1Cl)C[N@H+](CCCN1CC[NH+](C(C)C)CC1)CC2 ZINC000571943843 505851889 /nfs/dbraw/zinc/85/18/89/505851889.db2.gz HHAVZICUXHCPRE-UHFFFAOYSA-N 2 0 365.949 3.123 20 0 FGADRP C[C@H]([NH2+]CCCC[N@@H+]1CCCC[C@H]1C)c1ccc(S(C)(=O)=O)cc1 ZINC000157855633 496571223 /nfs/dbraw/zinc/57/12/23/496571223.db2.gz FVNMYRJWFJZMAX-SJORKVTESA-N 2 0 352.544 3.395 20 0 FGADRP Cc1ccc(S(=O)(=O)C[C@H](C)[NH2+]Cc2ccc(C[NH+](C)C)cc2)cc1 ZINC000184895679 496575077 /nfs/dbraw/zinc/57/50/77/496575077.db2.gz NQGYMAIPQCTKLX-KRWDZBQOSA-N 2 0 360.523 3.009 20 0 FGADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H](C)c1ccc(OC)cc1Br ZINC000181874832 496582285 /nfs/dbraw/zinc/58/22/85/496582285.db2.gz MLGUMPAIIPTBFF-ZFWWWQNUSA-N 2 0 373.335 3.465 20 0 FGADRP CCS[C@@H]1CC[C@@H]([N@H+](C)CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000184976509 496606665 /nfs/dbraw/zinc/60/66/65/496606665.db2.gz KUUZBQZJPCHVFG-QRVBRYPASA-N 2 0 363.571 3.012 20 0 FGADRP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+]1CCCC[C@@H](C)C1 ZINC000187960003 496631646 /nfs/dbraw/zinc/63/16/46/496631646.db2.gz OZTGZOCRVXKYMN-MOPGFXCFSA-N 2 0 357.542 3.278 20 0 FGADRP C[C@@H]([NH2+]CCCC[NH+]1CCC(C)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000158164226 496641317 /nfs/dbraw/zinc/64/13/17/496641317.db2.gz AETBLSPGUUWXEF-QGZVFWFLSA-N 2 0 352.544 3.253 20 0 FGADRP C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000158231654 496656160 /nfs/dbraw/zinc/65/61/60/496656160.db2.gz JVSOLXFYFNBWEB-KGLIPLIRSA-N 2 0 368.319 3.098 20 0 FGADRP CC1CC[NH+](Cc2ccccc2CNC(=O)N(C)CC[N@H+](C)C2CC2)CC1 ZINC000185124946 496671435 /nfs/dbraw/zinc/67/14/35/496671435.db2.gz ADBRIHLLIFGVED-UHFFFAOYSA-N 2 0 372.557 3.154 20 0 FGADRP CC(C)[C@H](C[NH2+][C@@H](C[C@@H]1CCOC1)c1ccccc1)N1CC[NH+](C)CC1 ZINC000166108260 496678193 /nfs/dbraw/zinc/67/81/93/496678193.db2.gz UYRZQPKTTLHCGC-BVSLBCMMSA-N 2 0 359.558 3.016 20 0 FGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000166507117 496688529 /nfs/dbraw/zinc/68/85/29/496688529.db2.gz VVULJLDURUCGMH-YZGWKJHDSA-N 2 0 374.548 3.245 20 0 FGADRP CC[NH+](CC)C[C@H]1CC[N@H+](C[C@H](O)Cc2ccc(C(F)(F)F)cc2)C1 ZINC000154133017 496691982 /nfs/dbraw/zinc/69/19/82/496691982.db2.gz JMDOVZGDEJURNL-SJLPKXTDSA-N 2 0 358.448 3.273 20 0 FGADRP CCC[C@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)c1ccc(OC)cc1 ZINC000158442526 496702870 /nfs/dbraw/zinc/70/28/70/496702870.db2.gz UQYTYZMJWGNLAR-NRFANRHFSA-N 2 0 368.525 3.473 20 0 FGADRP C[NH+](C)CCCOc1ccc(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)cc1 ZINC000168897850 496712737 /nfs/dbraw/zinc/71/27/37/496712737.db2.gz BFLHKYOSPHMASC-HBMCJLEFSA-N 2 0 358.526 3.454 20 0 FGADRP [NH3+]CCCCCCC(=O)N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000168949604 496714310 /nfs/dbraw/zinc/71/43/10/496714310.db2.gz SEQJQBMJRRXYGP-QGZVFWFLSA-N 2 0 371.447 3.305 20 0 FGADRP CC(=O)Nc1cccc([C@@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CC[C@H](O)C2)c1 ZINC000182274123 496724681 /nfs/dbraw/zinc/72/46/81/496724681.db2.gz SQRCCZXJMJQQMV-ZHRRBRCNSA-N 2 0 367.493 3.062 20 0 FGADRP COc1ccc(C[NH+]2CCC(C[NH2+][C@@H]3C[C@@H](C)[N@H+](C)C[C@@H]3C)CC2)cc1 ZINC000247026877 496756985 /nfs/dbraw/zinc/75/69/85/496756985.db2.gz NHDIJKSOXAQBRU-NJNPRVFISA-N 3 0 359.558 3.226 20 0 FGADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H](C)c1ccc(S(C)(=O)=O)c(OC)c1 ZINC000268727366 496767124 /nfs/dbraw/zinc/76/71/24/496767124.db2.gz KJRJDRIOUOAUMY-JKSUJKDBSA-N 2 0 370.559 3.260 20 0 FGADRP CCCC[NH+]1CCC(NC(=O)NCc2cccc(C[NH+]3CCCC3)c2)CC1 ZINC000194956150 496773629 /nfs/dbraw/zinc/77/36/29/496773629.db2.gz JEENWKWOGGHSMF-UHFFFAOYSA-N 2 0 372.557 3.346 20 0 FGADRP C[C@@H](Cc1ccsc1)[NH+]1CCN(c2ccccc2OCC[NH+](C)C)CC1 ZINC000574840606 505865110 /nfs/dbraw/zinc/86/51/10/505865110.db2.gz QIWGEZHTYOJVAN-SFHVURJKSA-N 2 0 373.566 3.442 20 0 FGADRP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(NC(=O)c3ccncc3)cc2)[C@@H](C)C1 ZINC000268777927 496782930 /nfs/dbraw/zinc/78/29/30/496782930.db2.gz BBBMTLRUHNLBAI-JXFKEZNVSA-N 2 0 352.482 3.154 20 0 FGADRP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(NC(=O)c3cccnc3)cc2)[C@@H](C)C1 ZINC000247183157 496800584 /nfs/dbraw/zinc/80/05/84/496800584.db2.gz ZIZFBDJKWKTNBY-OXJNMPFZSA-N 2 0 352.482 3.154 20 0 FGADRP O[C@H](COCc1ccccc1Cl)C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000247207601 496805965 /nfs/dbraw/zinc/80/59/65/496805965.db2.gz CFXBQUOITLTJAQ-HKUYNNGSSA-N 2 0 366.933 3.025 20 0 FGADRP CC[NH+](CC)CCOc1ccc(C[NH2+][C@@H](C)CCCOC)cc1OC ZINC000268866513 496809569 /nfs/dbraw/zinc/80/95/69/496809569.db2.gz NSZSNJPIPANVSK-KRWDZBQOSA-N 2 0 352.519 3.321 20 0 FGADRP O[C@@H](COc1ccccc1Cl)CN1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000247294234 496826484 /nfs/dbraw/zinc/82/64/84/496826484.db2.gz FKONCEPPNUSPAP-IAGOWNOFSA-N 2 0 352.906 3.030 20 0 FGADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cccc(-n2cncn2)c1 ZINC000268940887 496829426 /nfs/dbraw/zinc/82/94/26/496829426.db2.gz SSDPYNHKWGCNDX-PGRDOPGGSA-N 2 0 361.493 3.268 20 0 FGADRP C[C@@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1ccccc1OCc1ccccc1 ZINC000269003493 496845586 /nfs/dbraw/zinc/84/55/86/496845586.db2.gz PWFMLCKUUQHGAR-GOSISDBHSA-N 2 0 354.494 3.373 20 0 FGADRP O=C1Nc2ccccc2C12CCC([NH2+]C1CC[NH+](C3CCC3)CC1)CC2 ZINC000269010012 496847842 /nfs/dbraw/zinc/84/78/42/496847842.db2.gz NKVKGCJEFUKMPS-UHFFFAOYSA-N 2 0 353.510 3.426 20 0 FGADRP CC[N@H+](Cc1ccc(C(=O)NCc2ccc3c(c2)C[NH2+]C3)cc1)C(C)C ZINC000188651727 496866244 /nfs/dbraw/zinc/86/62/44/496866244.db2.gz TVVKQFVZMISXNJ-UHFFFAOYSA-N 2 0 351.494 3.450 20 0 FGADRP C[C@H]1C[N@H+](CCC[NH2+]Cc2ccc(OCc3ccncc3)cc2)CCCO1 ZINC000277925435 496938077 /nfs/dbraw/zinc/93/80/77/496938077.db2.gz QEEGRKHEDRZSAG-IBGZPJMESA-N 2 0 369.509 3.251 20 0 FGADRP CCc1ccc([C@@H](CNC(=O)NC[C@@H](C)C[NH+]2CCCCC2)[NH+](C)C)cc1 ZINC000195551824 496949803 /nfs/dbraw/zinc/94/98/03/496949803.db2.gz CCDJEUQRKKAFNH-WIYYLYMNSA-N 2 0 374.573 3.273 20 0 FGADRP C[N@@H+]1CC[C@H](NC(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)[C@H]1c1ccccc1 ZINC000248074725 496953389 /nfs/dbraw/zinc/95/33/89/496953389.db2.gz QXKCZTLTOSSMTP-PCCBWWKXSA-N 2 0 370.541 3.092 20 0 FGADRP CC(C)[NH+]1CCC(N2CC[NH+](CCCOCCc3ccccc3)CC2)CC1 ZINC000269684773 496989657 /nfs/dbraw/zinc/98/96/57/496989657.db2.gz UTQXNAOUGVBHBC-UHFFFAOYSA-N 2 0 373.585 3.126 20 0 FGADRP Cc1nn(C)c(C)c1CC[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000248391529 496992318 /nfs/dbraw/zinc/99/23/18/496992318.db2.gz CKEXFZUTTFGBBO-YMPZKCBVSA-N 2 0 366.553 3.470 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@H](C)[C@H]2CCC[NH+](C3CCC3)C2)[C@@H](C)C1 ZINC000248400456 496997689 /nfs/dbraw/zinc/99/76/89/496997689.db2.gz KUIQZUSEHQDCFX-DMUMMCEESA-N 2 0 364.578 3.011 20 0 FGADRP C[C@H]([NH2+]CCOCC(F)(F)C(F)F)c1cccc(OCC[NH+](C)C)c1 ZINC000278180448 497029474 /nfs/dbraw/zinc/02/94/74/497029474.db2.gz BLSYKZBIPRAEOI-ZDUSSCGKSA-N 2 0 366.399 3.195 20 0 FGADRP C[NH+](C)Cc1ccsc1C(=O)N[C@H](C[NH3+])c1ccc2ccccc2c1 ZINC000278206845 497038570 /nfs/dbraw/zinc/03/85/70/497038570.db2.gz HHDGJUWAXRCTGV-GOSISDBHSA-N 2 0 353.491 3.393 20 0 FGADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000574911189 505881613 /nfs/dbraw/zinc/88/16/13/505881613.db2.gz MOJJWFMXUVKHNC-DAESXHAQSA-N 3 0 356.489 3.032 20 0 FGADRP OCC[C@@H]([NH2+]CCCCCC[NH2+][C@H](CCO)c1ccco1)c1ccco1 ZINC000274417380 497093268 /nfs/dbraw/zinc/09/32/68/497093268.db2.gz NKKVYVIBCKRFGB-QZTJIDSGSA-N 2 0 364.486 3.159 20 0 FGADRP CC(C)[C@@H](CNC(=O)C[C@@H](C)C1CC[NH2+]CC1)[N@@H+]1CCc2ccccc2C1 ZINC000236681535 497132189 /nfs/dbraw/zinc/13/21/89/497132189.db2.gz IVPUEAIWXOAGDM-XMSQKQJNSA-N 2 0 371.569 3.211 20 0 FGADRP O=C(CC[NH+]1CCC(c2ncc[nH]2)CC1)N[C@@H]1CCCc2ccccc21 ZINC000265542820 497136231 /nfs/dbraw/zinc/13/62/31/497136231.db2.gz XERZFOWBQQLUCM-LJQANCHMSA-N 2 0 352.482 3.173 20 0 FGADRP C[C@H]1CC[C@H](C)[NH+]1CCN1CC[NH+](CCSCc2ccccc2)CC1 ZINC000192561384 497150669 /nfs/dbraw/zinc/15/06/69/497150669.db2.gz HOUBTNCSAJFTEI-PMACEKPBSA-N 2 0 361.599 3.410 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H]2CCc3c(cccc3OC)C2)[C@@H](C)C1 ZINC000249059415 497156354 /nfs/dbraw/zinc/15/63/54/497156354.db2.gz PAKILKUYEVJOKF-CUWPLCDZSA-N 2 0 360.542 3.279 20 0 FGADRP CC[C@@H](CNC(=O)C[C@H]([NH3+])c1ccccc1)[N@@H+]1CCc2ccccc2C1 ZINC000236960368 497173615 /nfs/dbraw/zinc/17/36/15/497173615.db2.gz DASZNZAOKZFXOC-SFTDATJTSA-N 2 0 351.494 3.030 20 0 FGADRP C[NH+](C)CCOc1ccc(NC(=O)C[C@@H]([NH3+])c2ccccc2)cc1Cl ZINC000237197073 497203187 /nfs/dbraw/zinc/20/31/87/497203187.db2.gz BHSQSBPNQXQTSQ-QGZVFWFLSA-N 2 0 361.873 3.309 20 0 FGADRP Cc1cnccc1OC1CCN([C@@H](C(=O)N(C)C)c2ccccc2)CC1 ZINC000278743461 497206119 /nfs/dbraw/zinc/20/61/19/497206119.db2.gz WODWEHBUNFLZCW-HXUWFJFHSA-N 2 0 353.466 3.063 20 0 FGADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CC[C@@H](Oc3ccccc3Cl)C2)CC1 ZINC000192777048 497210996 /nfs/dbraw/zinc/21/09/96/497210996.db2.gz KPYHJKNFEDFBGS-GOSISDBHSA-N 2 0 365.949 3.209 20 0 FGADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CC[C@@H](c3c(F)cccc3F)C2)CC1 ZINC000192801472 497218124 /nfs/dbraw/zinc/21/81/24/497218124.db2.gz AMKAUZJQUNLJLN-QGZVFWFLSA-N 2 0 351.485 3.170 20 0 FGADRP C[C@@H](C[NH2+]Cc1nc(-c2cccc(Br)c2)c[nH]1)Cn1ccnc1 ZINC000237434847 497236236 /nfs/dbraw/zinc/23/62/36/497236236.db2.gz WOWUJRWTLWFJJL-ZDUSSCGKSA-N 2 0 374.286 3.462 20 0 FGADRP CCC[N@@H+]1CC[C@@H](CNC(=O)NC[C@H](c2ccsc2)[NH+](CC)CC)C1 ZINC000249749055 497242457 /nfs/dbraw/zinc/24/24/57/497242457.db2.gz PNCKPWKXPNRVMJ-FUHWJXTLSA-N 2 0 366.575 3.162 20 0 FGADRP c1coc(-c2nnc(CN3CCC(c4ncc5n4CCCC5)CC3)o2)c1 ZINC000278861888 497245743 /nfs/dbraw/zinc/24/57/43/497245743.db2.gz LDNZDMKZDWHXDF-UHFFFAOYSA-N 2 0 353.426 3.242 20 0 FGADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)C[C@@H]1C ZINC000192921458 497247204 /nfs/dbraw/zinc/24/72/04/497247204.db2.gz NHYWMCGDHYYZFI-ZIBCJSCZSA-N 2 0 358.526 3.466 20 0 FGADRP Cc1cc(NC(=O)C[C@@H](C)[C@@H]2CCC[NH2+]C2)ccc1OCC[NH+]1CCCC1 ZINC000237560648 497256228 /nfs/dbraw/zinc/25/62/28/497256228.db2.gz MSYPELXEMJVJAZ-IEBWSBKVSA-N 2 0 373.541 3.434 20 0 FGADRP CC(C)[NH+]1CCN(CCC[NH2+][C@H](C[C@H]2CCOC2)c2ccccc2)CC1 ZINC000193003864 497272024 /nfs/dbraw/zinc/27/20/24/497272024.db2.gz SNFOOXQEXCTZDJ-IFMALSPDSA-N 2 0 359.558 3.160 20 0 FGADRP Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)c1ccc(C[NH3+])cc1 ZINC000237717895 497280894 /nfs/dbraw/zinc/28/08/94/497280894.db2.gz GYQJAUVAFVCZCH-UHFFFAOYSA-N 2 0 355.507 3.255 20 0 FGADRP Cc1cc(NC(=O)[C@H]([NH3+])c2ccccc2)ccc1OCC[NH+]1CCCC1 ZINC000237722113 497281847 /nfs/dbraw/zinc/28/18/47/497281847.db2.gz YJAAIXGLTQTMDQ-HXUWFJFHSA-N 2 0 353.466 3.108 20 0 FGADRP CCC(CC)[C@@H](CNC(=O)NC1CC[NH+](C(C)C)CC1)[NH+]1CCCC1 ZINC000193132879 497310504 /nfs/dbraw/zinc/31/05/04/497310504.db2.gz IKNYVBAPSIPZQO-LJQANCHMSA-N 2 0 352.567 3.059 20 0 FGADRP O[C@@H]1CC[N@H+](Cc2ccccc2C[NH2+]Cc2cnc(-c3ccco3)s2)C1 ZINC000193207053 497323937 /nfs/dbraw/zinc/32/39/37/497323937.db2.gz BEUCHDBQAWWQCH-QGZVFWFLSA-N 2 0 369.490 3.260 20 0 FGADRP O=C(NCc1ccccc1C[NH+]1CCCCC1)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000238029780 497330003 /nfs/dbraw/zinc/33/00/03/497330003.db2.gz YCFANYNJZIFPAJ-QMMLZNLJSA-N 2 0 355.526 3.209 20 0 FGADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)C1 ZINC000245412212 497393140 /nfs/dbraw/zinc/39/31/40/497393140.db2.gz AEOHLHHDRAMEQS-MOPGFXCFSA-N 2 0 364.578 3.014 20 0 FGADRP C[C@]([NH3+])(C(=O)N1CCC[N@H+](CCCc2ccccc2)CC1)c1ccccc1 ZINC000581073395 505904609 /nfs/dbraw/zinc/90/46/09/505904609.db2.gz HKMWBZXBBCRYTB-HSZRJFAPSA-N 2 0 365.521 3.028 20 0 FGADRP C[C@H](NC(=O)C[C@@H]([NH3+])c1ccccc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261573983 497416026 /nfs/dbraw/zinc/41/60/26/497416026.db2.gz AXSSDISZINDFGF-DZFGPLHGSA-N 2 0 351.494 3.103 20 0 FGADRP C[NH+](C)CCNC(=O)c1ccc(C[NH2+][C@H](c2ccc(F)cc2)C2CC2)cc1 ZINC000271686226 497418973 /nfs/dbraw/zinc/41/89/73/497418973.db2.gz JWYOSKCJNWEWHY-NRFANRHFSA-N 2 0 369.484 3.358 20 0 FGADRP C[NH+]1CCC(C(=O)NCCCC[NH+]2CCC(Cc3ccccc3)CC2)CC1 ZINC000266837815 497428231 /nfs/dbraw/zinc/42/82/31/497428231.db2.gz MOYVEZASEQJUEP-UHFFFAOYSA-N 2 0 371.569 3.179 20 0 FGADRP CCCN(C(=O)CC[C@@H]1CC[NH2+]C1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000261677033 497431026 /nfs/dbraw/zinc/43/10/26/497431026.db2.gz BCOSEIXRQKQMIZ-CTNGQTDRSA-N 2 0 357.542 3.279 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)CC[C@@H]2CC[NH2+]C2)C1 ZINC000261778573 497449666 /nfs/dbraw/zinc/44/96/66/497449666.db2.gz JHTVPIVHUDUKRU-CEXWTWQISA-N 2 0 357.542 3.170 20 0 FGADRP [NH3+]CCN(CCc1nc(-c2ccc(Cl)cc2)no1)CCc1ccccc1 ZINC000261778238 497450001 /nfs/dbraw/zinc/45/00/01/497450001.db2.gz OXQHYRHAPLDIPZ-UHFFFAOYSA-N 2 0 370.884 3.436 20 0 FGADRP Brc1cccc(OC2CC[NH+](C[C@@H]3CCC[NH2+]C3)CC2)c1 ZINC000261783903 497450913 /nfs/dbraw/zinc/45/09/13/497450913.db2.gz FPJZIVIFRSJHJW-CQSZACIVSA-N 2 0 353.304 3.292 20 0 FGADRP COc1cccc(C[C@@H]([NH2+]CCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C2CC2)c1 ZINC000245567516 497459740 /nfs/dbraw/zinc/45/97/40/497459740.db2.gz XSAJZDIRZAMSAE-KGVIQGDOSA-N 2 0 360.542 3.495 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)[C@@H]2CC23CC[NH2+]CC3)C1 ZINC000261904172 497472374 /nfs/dbraw/zinc/47/23/74/497472374.db2.gz FLAKUQLPBYAPPE-UEXGIBASSA-N 2 0 369.553 3.170 20 0 FGADRP CC(=O)N1CCC(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC000245646547 497487421 /nfs/dbraw/zinc/48/74/21/497487421.db2.gz BRZNHIKONZOHJA-KOUNCHBCSA-N 2 0 355.526 3.030 20 0 FGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]C2CCN(c3ccccc3)CC2)[C@@H](C)C1 ZINC000271937403 497491978 /nfs/dbraw/zinc/49/19/78/497491978.db2.gz NLGVWEHQFIQTLB-SIKLNZKXSA-N 2 0 359.558 3.382 20 0 FGADRP CC[NH+](CC)Cc1ccccc1CNC(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000245666724 497494211 /nfs/dbraw/zinc/49/42/11/497494211.db2.gz DWXIFLWGKHIVEZ-FXAWDEMLSA-N 2 0 360.546 3.153 20 0 FGADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)[C@H]([NH3+])Cc2ccccc2)cc1 ZINC000262139298 497514967 /nfs/dbraw/zinc/51/49/67/497514967.db2.gz LQFJOUKNDVQILU-PGRDOPGGSA-N 2 0 365.521 3.247 20 0 FGADRP CC(C)(C)c1ccc(C[N@@H+]2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)s1 ZINC000262236938 497528231 /nfs/dbraw/zinc/52/82/31/497528231.db2.gz OQOPDPURJWHSPL-RDJZCZTQSA-N 2 0 363.571 3.126 20 0 FGADRP C[C@@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1cc(Br)cs1 ZINC000193965763 497534462 /nfs/dbraw/zinc/53/44/62/497534462.db2.gz IITTXRAISJNRCI-GFCCVEGCSA-N 2 0 360.365 3.187 20 0 FGADRP C[C@H](C[NH2+][C@H](c1ccc(Br)s1)C1CC1)N1CC[NH+](C)CC1 ZINC000190600527 497539896 /nfs/dbraw/zinc/53/98/96/497539896.db2.gz BVXASNIFBAIOQS-WBMJQRKESA-N 2 0 372.376 3.187 20 0 FGADRP C[NH+](C)C1CCN(CC[NH2+][C@@H]2CCc3ccc(Br)cc32)CC1 ZINC000193988912 497541282 /nfs/dbraw/zinc/54/12/82/497541282.db2.gz QGDXCGZOLCCLSW-GOSISDBHSA-N 2 0 366.347 3.052 20 0 FGADRP CC(C)[N@H+](C)Cc1cccc(CNC(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])c1 ZINC000262336273 497541419 /nfs/dbraw/zinc/54/14/19/497541419.db2.gz HHZUWTCQFWTMDR-WHSGIHJSSA-N 2 0 357.542 3.297 20 0 FGADRP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])CC1 ZINC000262354622 497543831 /nfs/dbraw/zinc/54/38/31/497543831.db2.gz UVJLHJSUBTZJHM-MQYPRSKASA-N 2 0 369.553 3.482 20 0 FGADRP CC(C)N(CC[NH+](C)C)C(=O)N[C@@H]1CCN(C)[C@H]1c1ccc(Cl)cc1 ZINC000245839210 497547853 /nfs/dbraw/zinc/54/78/53/497547853.db2.gz HNPOQOOZFOURHB-MSOLQXFVSA-N 2 0 366.937 3.067 20 0 FGADRP c1ccc(CC[N@@H+]2CC[C@@H](C[NH2+][C@@H]3[C@H]4CCO[C@H]4C34CCCC4)C2)cc1 ZINC000194022484 497550787 /nfs/dbraw/zinc/55/07/87/497550787.db2.gz XTSJLGMJHIWRGA-DXBBTUNJSA-N 2 0 354.538 3.488 20 0 FGADRP CCC[N@@H+]1CC[C@@H](CNC(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)C1 ZINC000245875750 497556461 /nfs/dbraw/zinc/55/64/61/497556461.db2.gz XXSIUFGSVIDIMF-PMACEKPBSA-N 2 0 364.578 3.016 20 0 FGADRP CCN(C(=O)CN1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1)c1cccc2ccccc21 ZINC000578324104 505914861 /nfs/dbraw/zinc/91/48/61/505914861.db2.gz QUKPKTWQKHWKRR-YSIASYRMSA-N 2 0 351.494 3.252 20 0 FGADRP Cn1cc(C[C@@H]2CC[N@H+](Cc3ccc(C[NH+]4CCCCC4)cc3)C2)cn1 ZINC000578323881 505914951 /nfs/dbraw/zinc/91/49/51/505914951.db2.gz AFJKLPKULIPYAR-NRFANRHFSA-N 2 0 352.526 3.471 20 0 FGADRP C[C@H]1C[C@@H](NC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[N@@H+]1Cc1ccccc1 ZINC000262631499 497587437 /nfs/dbraw/zinc/58/74/37/497587437.db2.gz FLCPAVBBKZZZER-XCDJFROHSA-N 2 0 355.526 3.076 20 0 FGADRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)c1ccc(C[NH3+])cc1 ZINC000262635531 497589097 /nfs/dbraw/zinc/58/90/97/497589097.db2.gz HIYVFJWLNMBWOB-LFUKPOHLSA-N 2 0 351.494 3.032 20 0 FGADRP C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)[C@@H]2CCCC[C@]2(C)[NH3+])CC1 ZINC000262737741 497612085 /nfs/dbraw/zinc/61/20/85/497612085.db2.gz CHISMUQOCFWILC-UNMCSNQZSA-N 2 0 357.542 3.265 20 0 FGADRP C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)C3CC[NH+](C4CC4)CC3)cc2)C1 ZINC000194265364 497618325 /nfs/dbraw/zinc/61/83/25/497618325.db2.gz LXOHZRIWHLMNSV-GOSISDBHSA-N 2 0 369.553 3.409 20 0 FGADRP C[NH+]1CCC(O)(C[NH2+][C@@H](c2ccc(Br)cc2F)C2CC2)CC1 ZINC000280014873 497620747 /nfs/dbraw/zinc/62/07/47/497620747.db2.gz GZFCGRIHYSCVNR-MRXNPFEDSA-N 2 0 371.294 3.086 20 0 FGADRP C[C@@H]1C[C@H](N(C)C(=O)NC[C@H](c2ccccc2Cl)N(C)C)CC[N@@H+]1C ZINC000246109297 497625456 /nfs/dbraw/zinc/62/54/56/497625456.db2.gz HQZKAWSZWLCEEE-IIDMSEBBSA-N 2 0 366.937 3.067 20 0 FGADRP CCCCc1nc2cc(NC(=O)[C@]3([NH3+])C[C@H](OCC)C3(C)C)ccc2[nH]1 ZINC000262811393 497625961 /nfs/dbraw/zinc/62/59/61/497625961.db2.gz VGMIUSLYHWRZIS-OXJNMPFZSA-N 2 0 358.486 3.377 20 0 FGADRP C[NH+](C)[C@@]1(CN[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CCSC1 ZINC000272467429 497636849 /nfs/dbraw/zinc/63/68/49/497636849.db2.gz ZUVIUEGWZWIPTE-MXEMCNAFSA-N 2 0 359.583 3.209 20 0 FGADRP COc1cc(C[NH2+][C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)cc(OC)c1O ZINC000272538774 497655557 /nfs/dbraw/zinc/65/55/57/497655557.db2.gz CEYSSPCXFHLFDO-APWZRJJASA-N 2 0 370.493 3.410 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N(C)[C@H]1CC[N@H+](C)C[C@H]1C)c1ccccc1 ZINC000246317928 497693473 /nfs/dbraw/zinc/69/34/73/497693473.db2.gz MQEZZGARMJJWIN-YZGWKJHDSA-N 2 0 360.546 3.051 20 0 FGADRP C[C@@H]([NH2+]CCc1nnc2n1CCCCC2)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272695454 497703848 /nfs/dbraw/zinc/70/38/48/497703848.db2.gz WYNPOTABAQXYOO-QUCCMNQESA-N 2 0 367.541 3.047 20 0 FGADRP C[C@H]([NH2+]CCc1nnc2n1CCCCC2)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272695453 497704490 /nfs/dbraw/zinc/70/44/90/497704490.db2.gz WYNPOTABAQXYOO-ICSRJNTNSA-N 2 0 367.541 3.047 20 0 FGADRP C[C@@H]1CC(O)C[C@H](C)[NH+]1Cc1cccc(C[N@H+]2[C@H](C)CC(O)C[C@@H]2C)c1 ZINC000191159036 497728109 /nfs/dbraw/zinc/72/81/09/497728109.db2.gz KYCGOZJJIXMIQK-SHFBKJGYSA-N 2 0 360.542 3.154 20 0 FGADRP C[C@H]1CCC[N@H+](CCCCNC(=O)N(C)CC[C@H]2CCCC[NH+]2C)C1 ZINC000246429619 497732140 /nfs/dbraw/zinc/73/21/40/497732140.db2.gz SWASCMIOQHIRQO-RBUKOAKNSA-N 2 0 352.567 3.014 20 0 FGADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@H]2CCN(Cc3ccccn3)C[C@H]2C)C1 ZINC000246444631 497736228 /nfs/dbraw/zinc/73/62/28/497736228.db2.gz OUAQAIAZYQUKQE-SJBKTWHCSA-N 2 0 358.574 3.250 20 0 FGADRP C[C@]1([NH3+])CCCC[C@H]1C(=O)N1CCCN(Cc2ccc(Cl)cc2)CC1 ZINC000263237868 497739428 /nfs/dbraw/zinc/73/94/28/497739428.db2.gz OGSZMGDNABTYGQ-ICSRJNTNSA-N 2 0 363.933 3.282 20 0 FGADRP C[C@@H](C(=O)N1c2ccccc2C[C@H]1C)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000194739670 497754618 /nfs/dbraw/zinc/75/46/18/497754618.db2.gz KINPLWMQIQNHPX-MSOLQXFVSA-N 2 0 355.526 3.161 20 0 FGADRP CCOc1cc(C[NH2+]CC2(O)CC[NH+](C(C)C)CC2)ccc1OC(F)F ZINC000268457054 497755858 /nfs/dbraw/zinc/75/58/58/497755858.db2.gz YEEVMROBOJIQHM-UHFFFAOYSA-N 2 0 372.456 3.012 20 0 FGADRP CC[C@@H]([NH2+]C1CC[NH+](C(C)C)CC1)[C@H](c1ccc(C)cc1)n1cncn1 ZINC000272988237 497778836 /nfs/dbraw/zinc/77/88/36/497778836.db2.gz WFWZFRSQETZPGP-RTWAWAEBSA-N 2 0 355.530 3.417 20 0 FGADRP OC[C@H]([NH2+]CCCCCC[NH2+][C@H](CO)c1ccccc1)c1ccccc1 ZINC000273125254 497801869 /nfs/dbraw/zinc/80/18/69/497801869.db2.gz QKDITWXLDCZZNC-SZPZYZBQSA-N 2 0 356.510 3.193 20 0 FGADRP Cc1ccc(NC(=[NH2+])NC[C@@H]2CCC[N@H+](C)[C@H]2c2cnn(C)c2)cc1C ZINC000364249543 497860568 /nfs/dbraw/zinc/86/05/68/497860568.db2.gz GXVWMNFUQFISMQ-QFBILLFUSA-N 2 0 354.502 3.056 20 0 FGADRP Cc1cc(C)cc(NC(=[NH2+])NC[C@H]2CCC[N@H+](C)[C@@H]2c2cnn(C)c2)c1 ZINC000364268986 497871840 /nfs/dbraw/zinc/87/18/40/497871840.db2.gz YDNNKPWCZVYFKV-APWZRJJASA-N 2 0 354.502 3.056 20 0 FGADRP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccc(OCc2nccn2C)cc1 ZINC000296029851 497897072 /nfs/dbraw/zinc/89/70/72/497897072.db2.gz SSOIXLWUDFOFKZ-BPIHKTFHSA-N 2 0 354.498 3.275 20 0 FGADRP C[NH+]1CCN(Cc2ccc(C[NH2+][C@H](c3cccnc3)C3CCC3)cc2)CC1 ZINC000280868234 497930035 /nfs/dbraw/zinc/93/00/35/497930035.db2.gz NONOYGBGTXAUGL-QHCPKHFHSA-N 2 0 364.537 3.460 20 0 FGADRP C[N@@H+]1CCN(CCC[NH2+][C@@H]2CCOC3(CCC3)C2)[C@@H](c2ccccc2)C1 ZINC000296398020 498027456 /nfs/dbraw/zinc/02/74/56/498027456.db2.gz LKGXTGHLQZBPSR-NHCUHLMSSA-N 2 0 357.542 3.057 20 0 FGADRP Cc1ccc([C@@H](CNC(=O)N2CC(C)(C)[C@@H]2c2nccn2C)[NH+](C)C)cc1 ZINC000296435947 498042395 /nfs/dbraw/zinc/04/23/95/498042395.db2.gz TYSQDGQWTSKABW-MSOLQXFVSA-N 2 0 369.513 3.124 20 0 FGADRP Clc1cc2c(c(C[NH+]3CCC(CC[NH+]4CCOCC4)CC3)c1)OCC2 ZINC000572437736 505968900 /nfs/dbraw/zinc/96/89/00/505968900.db2.gz PRPAPRZBDZHAEQ-UHFFFAOYSA-N 2 0 364.917 3.209 20 0 FGADRP COc1ccc(C[NH2+]Cc2ccncc2OCC[NH+](C)C)c2ccccc12 ZINC000569586221 505971359 /nfs/dbraw/zinc/97/13/59/505971359.db2.gz SRCNFBBKTQSXLD-UHFFFAOYSA-N 2 0 365.477 3.474 20 0 FGADRP Cc1nn(C(C)C)cc1C[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000281353969 498116270 /nfs/dbraw/zinc/11/62/70/498116270.db2.gz MTGXTYXUSCVTJU-NRFANRHFSA-N 2 0 356.514 3.019 20 0 FGADRP C[C@@H](NC(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1)[C@@H]1CCC[NH2+]C1 ZINC000572498804 505984301 /nfs/dbraw/zinc/98/43/01/505984301.db2.gz OBKCFHXFNICKRN-WIYYLYMNSA-N 2 0 372.557 3.106 20 0 FGADRP c1cc(CC[NH+]2CCCC3(CCC[N@@H+](CCc4ccncc4)C3)C2)ccn1 ZINC000289420989 498140186 /nfs/dbraw/zinc/14/01/86/498140186.db2.gz HVIGCRJKMQBKBE-UHFFFAOYSA-N 2 0 364.537 3.440 20 0 FGADRP C[N@@H+]1CCC[C@]2(CC[NH+](CCC(=O)Nc3ccc(Cl)cc3F)C2)C1 ZINC000292903320 498191162 /nfs/dbraw/zinc/19/11/62/498191162.db2.gz GTOKXFKWKICNPW-SFHVURJKSA-N 2 0 353.869 3.225 20 0 FGADRP C[C@H]([NH2+][C@@H]1CCC[C@H](N2CCCC2=O)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000569743612 506005567 /nfs/dbraw/zinc/00/55/67/506005567.db2.gz BRJWJUHWQPYDLW-PDGJWGCVSA-N 2 0 369.553 3.420 20 0 FGADRP Cc1cc(C[NH+]2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)c(C)s1 ZINC000578698782 505999743 /nfs/dbraw/zinc/99/97/43/505999743.db2.gz JEXLXKZUABKUDQ-UHFFFAOYSA-N 2 0 363.571 3.179 20 0 FGADRP C[C@@H](C[NH2+][C@@H](C)CCN1CC[NH+](C)CC1)c1ccc(C(F)(F)F)cc1 ZINC000289679741 498244388 /nfs/dbraw/zinc/24/43/88/498244388.db2.gz MSZSAUXJEQZIHB-HOTGVXAUSA-N 2 0 357.464 3.425 20 0 FGADRP COc1coc(C[N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)cc1=O ZINC000293188355 498299900 /nfs/dbraw/zinc/29/99/00/498299900.db2.gz FCUQNHIUXHJQJK-UHFFFAOYSA-N 2 0 368.477 3.137 20 0 FGADRP Cc1nnc(N2CCC([NH2+]CC3CC[NH+](CCC(C)C)CC3)CC2)s1 ZINC000360709340 498300767 /nfs/dbraw/zinc/30/07/67/498300767.db2.gz CHKZYEJDZDHCNS-UHFFFAOYSA-N 2 0 365.591 3.163 20 0 FGADRP CCCC[N@H+](C)C[C@@H](C)NC(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000569775554 506012998 /nfs/dbraw/zinc/01/29/98/506012998.db2.gz MQVVPTTZBKMVRQ-GOSISDBHSA-N 2 0 360.546 3.202 20 0 FGADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)c2ccccc2CC2CC[NH2+]CC2)C1 ZINC000581551801 506013605 /nfs/dbraw/zinc/01/36/05/506013605.db2.gz ZUIZUJNXXWFMML-LJQANCHMSA-N 2 0 357.542 3.033 20 0 FGADRP C[NH+]1CCC(O)(C[NH2+][C@@H](c2cccc(OC(F)(F)F)c2)C2CC2)CC1 ZINC000286214827 498327200 /nfs/dbraw/zinc/32/72/00/498327200.db2.gz SDGASNBQBHXNNJ-MRXNPFEDSA-N 2 0 358.404 3.083 20 0 FGADRP Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)CC3 ZINC000361069006 498340898 /nfs/dbraw/zinc/34/08/98/498340898.db2.gz RPOMJWSQNLUUES-ZWKOTPCHSA-N 2 0 366.553 3.092 20 0 FGADRP Cc1cc(-n2ccnc2)ccc1C[NH2+][C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@H]1C ZINC000365273123 498381864 /nfs/dbraw/zinc/38/18/64/498381864.db2.gz YSPTUYOPCINNJR-STZQEDGTSA-N 2 0 368.525 3.160 20 0 FGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@H](CCCOC)c2ccc(F)cc2)CC1 ZINC000282098013 498383370 /nfs/dbraw/zinc/38/33/70/498383370.db2.gz ZCXQFKGWLDPGLQ-GHTZIAJQSA-N 2 0 365.537 3.157 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)[C@@]1(c2ccccc2)CC[NH2+]C1)c1ccsc1 ZINC000581605257 506026936 /nfs/dbraw/zinc/02/69/36/506026936.db2.gz UYWATYNECOZIAH-FPOVZHCZSA-N 2 0 371.550 3.179 20 0 FGADRP c1ccc(-c2nnc(C[NH2+]C3CCN(c4cc[nH+]cc4)CC3)s2)cc1 ZINC000297345346 498413514 /nfs/dbraw/zinc/41/35/14/498413514.db2.gz DUIVNMFQWFDYPR-UHFFFAOYSA-N 2 0 351.479 3.359 20 0 FGADRP c1coc(-c2nnc(CN3CCC[C@H](c4ncc5n4CCCC5)C3)o2)c1 ZINC000282195708 498418518 /nfs/dbraw/zinc/41/85/18/498418518.db2.gz WVARMYQDJDIGHV-AWEZNQCLSA-N 2 0 353.426 3.242 20 0 FGADRP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000572705156 506032908 /nfs/dbraw/zinc/03/29/08/506032908.db2.gz QFGZQUKRXGEWPY-RXVVDRJESA-N 2 0 372.557 3.474 20 0 FGADRP Cc1ccccc1[C@@H]([C@H](C)NC(=O)c1ccccc1C[NH+](C)C)[NH+](C)C ZINC000569878753 506036807 /nfs/dbraw/zinc/03/68/07/506036807.db2.gz JRUKKBWHQIOBQT-LAUBAEHRSA-N 2 0 353.510 3.478 20 0 FGADRP C[C@H](CCc1ccc(O)cc1)[NH2+]Cc1ccncc1OCCC[NH+](C)C ZINC000290223847 498472763 /nfs/dbraw/zinc/47/27/63/498472763.db2.gz SBKLKMXJNDWYNY-QGZVFWFLSA-N 2 0 357.498 3.229 20 0 FGADRP C[C@H](Cc1ccc(O)cc1)[NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1 ZINC000293744185 498475335 /nfs/dbraw/zinc/47/53/35/498475335.db2.gz XMOLWAMKQDVVKI-QGZVFWFLSA-N 2 0 354.494 3.070 20 0 FGADRP C[N@H+](CCOc1ccc(Cl)cc1)C1CC[NH+](C2CCOCC2)CC1 ZINC000362423793 498514949 /nfs/dbraw/zinc/51/49/49/498514949.db2.gz BYPAKRLHFJBOFK-UHFFFAOYSA-N 2 0 352.906 3.294 20 0 FGADRP COCCC[C@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1ccc(F)cc1 ZINC000282448317 498516927 /nfs/dbraw/zinc/51/69/27/498516927.db2.gz UYFDDVOELLLRFR-PXNSSMCTSA-N 2 0 352.494 3.384 20 0 FGADRP Cc1oc(-c2cccs2)nc1CN(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000362486173 498523031 /nfs/dbraw/zinc/52/30/31/498523031.db2.gz KMTUAZUAXRLGCH-QGZVFWFLSA-N 2 0 374.554 3.312 20 0 FGADRP CCc1ccccc1NC(=O)C[NH+]1CCC2(C[C@H]2C[N@H+](C)C2CC2)CC1 ZINC000362616331 498524234 /nfs/dbraw/zinc/52/42/34/498524234.db2.gz LLEFGNQHXCJABN-SFHVURJKSA-N 2 0 355.526 3.384 20 0 FGADRP CCCCn1cc(C[NH2+]C[C@@H](O)Cn2cnc3cc(C)c(C)cc32)c(C)n1 ZINC000569921496 506047853 /nfs/dbraw/zinc/04/78/53/506047853.db2.gz VHXQZIWENYZAEN-LJQANCHMSA-N 2 0 369.513 3.109 20 0 FGADRP C[C@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)c1ccc(Br)s1 ZINC000282473118 498525772 /nfs/dbraw/zinc/52/57/72/498525772.db2.gz UVDCAVZDNAKRMX-LBPRGKRZSA-N 2 0 360.365 3.187 20 0 FGADRP C[NH+](C)CCN1CCC([NH2+][C@H]2CCc3sc(Br)cc32)CC1 ZINC000293947207 498542227 /nfs/dbraw/zinc/54/22/27/498542227.db2.gz ZAWXGWXGGCHMLF-AWEZNQCLSA-N 2 0 372.376 3.114 20 0 FGADRP O=C(NCCCCC[NH+]1CCCC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000293973799 498549528 /nfs/dbraw/zinc/54/95/28/498549528.db2.gz RAVRAIFATARJCN-UHFFFAOYSA-N 2 0 357.542 3.281 20 0 FGADRP CC(C)c1nc(N2CCC[C@@H](C[NH+]3CCOCC3)C2)cc(C(C)(C)C)n1 ZINC000302753277 498559520 /nfs/dbraw/zinc/55/95/20/498559520.db2.gz HUDPKHNYOFSSRQ-KRWDZBQOSA-N 2 0 360.546 3.446 20 0 FGADRP C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)c2ccccc2CC2CC[NH2+]CC2)C1 ZINC000581728789 506055089 /nfs/dbraw/zinc/05/50/89/506055089.db2.gz VVQWYEBDHLDFLL-OALUTQOASA-N 2 0 371.569 3.327 20 0 FGADRP COCCCn1nccc1CNC1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000282594021 498573288 /nfs/dbraw/zinc/57/32/88/498573288.db2.gz HFXQMZZAXYBQQE-OALUTQOASA-N 2 0 370.541 3.166 20 0 FGADRP Cn1cc([C@H]([NH2+]C2CCN(c3cc[nH+]cc3)CC2)c2ccc(F)cc2)cn1 ZINC000297816723 498576958 /nfs/dbraw/zinc/57/69/58/498576958.db2.gz YPSGZHNKSLPNTO-OAQYLSRUSA-N 2 0 365.456 3.302 20 0 FGADRP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCC[C@H]2C[NH+]2CCCCC2)C1 ZINC000303277908 498661649 /nfs/dbraw/zinc/66/16/49/498661649.db2.gz SXFIKRNKGYQEOF-OALUTQOASA-N 2 0 364.578 3.157 20 0 FGADRP CC[C@H](C)NC(=O)c1cccc(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000294342564 498663496 /nfs/dbraw/zinc/66/34/96/498663496.db2.gz YQPQGGAJWCYJQL-KRWDZBQOSA-N 2 0 366.509 3.369 20 0 FGADRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)C1 ZINC000303316227 498664384 /nfs/dbraw/zinc/66/43/84/498664384.db2.gz SHYOQBQEFHFOOS-MOPGFXCFSA-N 2 0 364.578 3.157 20 0 FGADRP CC[NH+](CC)Cc1ccc(CNC(=O)NC[C@@H]2CCCC[N@@H+]2CC)cc1 ZINC000303434845 498673821 /nfs/dbraw/zinc/67/38/21/498673821.db2.gz DFICZRZCLCIZQF-FQEVSTJZSA-N 2 0 360.546 3.202 20 0 FGADRP CC(C)(C)OC(=O)N1CC=C(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000298164061 498681578 /nfs/dbraw/zinc/68/15/78/498681578.db2.gz STJZQPMIADULPT-UHFFFAOYSA-N 2 0 372.513 3.207 20 0 FGADRP C[C@H](CNC(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1)[N@H+](C)Cc1ccccc1 ZINC000303503204 498683107 /nfs/dbraw/zinc/68/31/07/498683107.db2.gz VJTWWJKDKCWUQV-VAMGGRTRSA-N 2 0 374.573 3.174 20 0 FGADRP C[C@H](C(=O)NCC(C)(C)[N@@H+]1CCc2ccccc2C1)[NH+]1CCCCCC1 ZINC000303567233 498692630 /nfs/dbraw/zinc/69/26/30/498692630.db2.gz OFRJPWKGLHZMMQ-GOSISDBHSA-N 2 0 357.542 3.204 20 0 FGADRP CC(C)Oc1ccc([C@H](O)C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000298372261 498748117 /nfs/dbraw/zinc/74/81/17/498748117.db2.gz KSWNXDGQTQYDMD-OAQYLSRUSA-N 2 0 355.482 3.161 20 0 FGADRP Cc1cccc(OC[C@H](O)C[NH2+][C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000312592131 498761908 /nfs/dbraw/zinc/76/19/08/498761908.db2.gz XDHWKAMZKOAMCI-BAGYTPMASA-N 2 0 368.521 3.235 20 0 FGADRP COc1cc(C[NH2+][C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc2c1OCO2 ZINC000312597027 498762110 /nfs/dbraw/zinc/76/21/10/498762110.db2.gz XRGHWPRUDFDJLI-VQIMIIECSA-N 2 0 368.477 3.424 20 0 FGADRP Cn1nccc1[C@H]1CCC[C@@H]([NH2+]Cc2ccccc2OCC[NH+](C)C)C1 ZINC000366088531 498769135 /nfs/dbraw/zinc/76/91/35/498769135.db2.gz JJUWAWXORPHFQK-PKOBYXMFSA-N 2 0 356.514 3.177 20 0 FGADRP Cc1ccccc1[C@H]([NH3+])C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000294719359 498781495 /nfs/dbraw/zinc/78/14/95/498781495.db2.gz BSMLQSYSBPKALI-LPHOPBHVSA-N 2 0 357.523 3.085 20 0 FGADRP CC1(C)C[NH2+]CC[C@@H]1NC(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000579094723 506093379 /nfs/dbraw/zinc/09/33/79/506093379.db2.gz GIVHDWCKCSFPMB-IBGZPJMESA-N 2 0 358.530 3.225 20 0 FGADRP CC1CC[NH+](Cc2ccccc2CNC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)CC1 ZINC000576182059 506095361 /nfs/dbraw/zinc/09/53/61/506095361.db2.gz QZMKYEMTXQCBOB-BWAGFHJFSA-N 2 0 369.553 3.455 20 0 FGADRP O=C(NCCCn1ccnc1)C1CC[NH+](Cc2ccc(Cl)s2)CC1 ZINC000363438171 498821703 /nfs/dbraw/zinc/82/17/03/498821703.db2.gz FQIAQBJATWTLHZ-UHFFFAOYSA-N 2 0 366.918 3.017 20 0 FGADRP C[C@@H](CCNC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C)[NH+](C)Cc1ccccc1 ZINC000287642787 498823117 /nfs/dbraw/zinc/82/31/17/498823117.db2.gz NUQOGDQWOZKOFI-YBVXAUJNSA-N 2 0 372.557 3.164 20 0 FGADRP CC1CC[NH+](CCC[C@@H]([NH2+]CCS(C)(=O)=O)c2ccc(F)cc2)CC1 ZINC000291187919 498834798 /nfs/dbraw/zinc/83/47/98/498834798.db2.gz LEAOMSSFWPDXOK-LJQANCHMSA-N 2 0 370.534 3.013 20 0 FGADRP C[N@H+](CCCNC(=O)c1cccc(Cn2ccnc2)c1)C1CCCCC1 ZINC000298642058 498836606 /nfs/dbraw/zinc/83/66/06/498836606.db2.gz BYIFIBCAVXTPIT-UHFFFAOYSA-N 2 0 354.498 3.316 20 0 FGADRP CC(C)[NH+]1CCN(CCC[NH2+][C@@H](C)c2ccccc2OC(F)F)CC1 ZINC000283302464 498845687 /nfs/dbraw/zinc/84/56/87/498845687.db2.gz NKKVMTLCVKFXSU-INIZCTEOSA-N 2 0 355.473 3.355 20 0 FGADRP OC[C@@H]1CCN(Cc2ccccc2)C[C@H]1[NH2+]C/C=C/c1ccc(F)cc1 ZINC000573019821 506100559 /nfs/dbraw/zinc/10/05/59/506100559.db2.gz MVMXCYUEFLKYJL-WVMBANCBSA-N 2 0 354.469 3.312 20 0 FGADRP Cc1nn(C)c(N2CCC[N@H+](C)CC2)c1C[NH2+][C@H](C)c1cc(C)cc(C)c1 ZINC000366293240 498862298 /nfs/dbraw/zinc/86/22/98/498862298.db2.gz FJIYFHOBPNUFGX-GOSISDBHSA-N 2 0 369.557 3.338 20 0 FGADRP C[N@@H+]1CC[C@H](CNC(=O)c2ccc(C[NH3+])cc2)[C@@H]1c1cccc(Cl)c1 ZINC000366331377 498877572 /nfs/dbraw/zinc/87/75/72/498877572.db2.gz VREHVSDIWKFYJW-MJGOQNOKSA-N 2 0 357.885 3.222 20 0 FGADRP COc1cccc(NC(=O)CC[NH2+][C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000298881276 498905866 /nfs/dbraw/zinc/90/58/66/498905866.db2.gz KESXZMJLZNDWEA-SJORKVTESA-N 2 0 359.514 3.266 20 0 FGADRP O=C(Nc1cccc2c1CC[NH2+]C2)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000570184003 506110380 /nfs/dbraw/zinc/11/03/80/506110380.db2.gz JBLSMENZXMOOAS-GOSISDBHSA-N 2 0 370.541 3.452 20 0 FGADRP C[C@@H]1CN(C(=O)Nc2ccccc2-c2ncc3n2CCCC3)C[C@H](C)[N@H+]1C ZINC000333425476 499003376 /nfs/dbraw/zinc/00/33/76/499003376.db2.gz SOJAOTHJCUUQCE-IYBDPMFKSA-N 2 0 367.497 3.443 20 0 FGADRP CC(=O)Nc1ccccc1C[NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000283939518 499017373 /nfs/dbraw/zinc/01/73/73/499017373.db2.gz JQIVEXWHTRKBQA-UHFFFAOYSA-N 2 0 367.493 3.408 20 0 FGADRP Cc1ccc([C@@H](CCn2cncn2)[NH2+]CCc2cn3c(n2)CCCC3)cc1 ZINC000363866573 499030709 /nfs/dbraw/zinc/03/07/09/499030709.db2.gz QCKCZNKUJDRRAX-HXUWFJFHSA-N 2 0 364.497 3.083 20 0 FGADRP Cc1ccc2nc(CNc3ccc(CC[NH+]4CCOCC4)cc3)cn2c1 ZINC000284017289 499031034 /nfs/dbraw/zinc/03/10/34/499031034.db2.gz QHDBNUIKLFJXNQ-UHFFFAOYSA-N 2 0 350.466 3.130 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)N2CC[C@@H]([NH3+])[C@@H](C)C2)C1 ZINC000333589280 499037230 /nfs/dbraw/zinc/03/72/30/499037230.db2.gz AWLMECZKYXZPAS-TWFHAPMSSA-N 2 0 372.557 3.043 20 0 FGADRP CC(=O)N1CC[C@@H]([NH2+]CC2(C[NH+](C)C)CCCC2)c2ccc(F)cc2C1 ZINC000366731545 499052611 /nfs/dbraw/zinc/05/26/11/499052611.db2.gz GJXQNLKGHGIKTH-HXUWFJFHSA-N 2 0 361.505 3.331 20 0 FGADRP Cc1nn(C)c(CNC2CC[NH+](C3CCCCC3)CC2)c1Br ZINC000366771190 499066863 /nfs/dbraw/zinc/06/68/63/499066863.db2.gz FSGMOFUBKYBPMI-UHFFFAOYSA-N 2 0 369.351 3.378 20 0 FGADRP Cn1ccnc1[C@H]([NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1)C1CC1 ZINC000284233149 499072823 /nfs/dbraw/zinc/07/28/23/499072823.db2.gz DPJPOLDTKRLRLI-HXUWFJFHSA-N 2 0 354.498 3.134 20 0 FGADRP C[NH+]1CCC(Oc2ccc(C[NH2+][C@H]3[C@H]4CCO[C@H]4C34CCC4)cc2)CC1 ZINC000284352007 499093714 /nfs/dbraw/zinc/09/37/14/499093714.db2.gz MIDVCUWNVNJQJQ-QHAWAJNXSA-N 2 0 356.510 3.207 20 0 FGADRP CCN1CC[NH+](CCCC[NH2+][C@H](C)[C@H]2C[C@@H]2c2ccc(OC)cc2)CC1 ZINC000284358080 499094902 /nfs/dbraw/zinc/09/49/02/499094902.db2.gz NQJYXRYCQVOFKC-STZQEDGTSA-N 2 0 359.558 3.195 20 0 FGADRP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+]C[C@@](C)(O)c1cccc(Cl)c1 ZINC000364046346 499098447 /nfs/dbraw/zinc/09/84/47/499098447.db2.gz BZKMIGMDQHFWQF-XWPNQZOQSA-N 2 0 366.933 3.027 20 0 FGADRP C[N@H+](Cc1ccccc1CNC(=O)[C@H]1C[C@]12CC[NH2+]C2)C1CCCCC1 ZINC000372488985 499133995 /nfs/dbraw/zinc/13/39/95/499133995.db2.gz CJFQGZQOMFICKK-IRLDBZIGSA-N 2 0 355.526 3.067 20 0 FGADRP COc1cccc(C[NH2+]CCC2CC[NH+](C3CCN(C)CC3)CC2)c1F ZINC000367056895 499141154 /nfs/dbraw/zinc/14/11/54/499141154.db2.gz CVAZOWWLDOJHQL-UHFFFAOYSA-N 2 0 363.521 3.120 20 0 FGADRP CC(C)C[C@@H](C)NC(=O)N(C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000372820417 499180059 /nfs/dbraw/zinc/18/00/59/499180059.db2.gz GFFYVYXTFYEVLE-GOSISDBHSA-N 2 0 366.594 3.259 20 0 FGADRP Cc1nn(-c2ccccc2)cc1CN(C)C1CC[NH+](C2CCOCC2)CC1 ZINC000367430283 499198100 /nfs/dbraw/zinc/19/81/00/499198100.db2.gz KDTMRASXLWXJJI-UHFFFAOYSA-N 2 0 368.525 3.256 20 0 FGADRP CCC[C@H]1C[C@@H]1NC(=O)N(C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000370262826 499203314 /nfs/dbraw/zinc/20/33/14/499203314.db2.gz YRJLTQPXVSXJOO-ICSRJNTNSA-N 2 0 364.578 3.013 20 0 FGADRP C[N@@H+]1CC[C@H]([NH2+]Cc2cccc(NC(=O)c3ccco3)c2)[C@H]2CCC[C@H]21 ZINC000367611326 499217554 /nfs/dbraw/zinc/21/75/54/499217554.db2.gz BQMSNTYGXAQPPV-CEXWTWQISA-N 2 0 353.466 3.494 20 0 FGADRP C[C@@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccccc1OC(F)(F)F ZINC000370624044 499236799 /nfs/dbraw/zinc/23/67/99/499236799.db2.gz GELMMSJIUWXGEX-HUUCEWRRSA-N 2 0 371.447 3.404 20 0 FGADRP C[N@@H+](Cc1cc(F)cc2c1OCOC2)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000367883619 499241673 /nfs/dbraw/zinc/24/16/73/499241673.db2.gz CCVWAOJQYSJKRE-UHFFFAOYSA-N 2 0 371.456 3.436 20 0 FGADRP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]CCCC[NH+]1CCCC[C@@H]1C ZINC000370671804 499242795 /nfs/dbraw/zinc/24/27/95/499242795.db2.gz YMCVWXIPUQTMEJ-ANULTFPQSA-N 3 0 351.579 3.120 20 0 FGADRP C[NH+](C)Cc1ccccc1C(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000370677637 499243401 /nfs/dbraw/zinc/24/34/01/499243401.db2.gz OVZRRWOZSPQQDN-IFMALSPDSA-N 2 0 363.505 3.095 20 0 FGADRP [NH3+]CCCCCCC(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000370762772 499252375 /nfs/dbraw/zinc/25/23/75/499252375.db2.gz ASONGYJZZYRGJQ-QFIPXVFZSA-N 2 0 357.542 3.410 20 0 FGADRP CC(C)N1CCc2nc(C[N@H+]3CCCCC[C@H]3C[C@H](C)O)sc2C1 ZINC000368037986 499258340 /nfs/dbraw/zinc/25/83/40/499258340.db2.gz OCVCTRCUIPFBEM-HOTGVXAUSA-N 2 0 351.560 3.425 20 0 FGADRP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2Cc1cc(Br)cs1 ZINC000371294827 499306550 /nfs/dbraw/zinc/30/65/50/499306550.db2.gz NGEXFBWLNBRVRA-SNPRPXQTSA-N 2 0 359.333 3.194 20 0 FGADRP CN1CC[C@@H](C[NH2+]Cc2c[nH]c3nccnc23)[C@H]1c1cccc(Cl)c1 ZINC000368213343 499274509 /nfs/dbraw/zinc/27/45/09/499274509.db2.gz ADPVDSTZEDRVFZ-KBXCAEBGSA-N 2 0 355.873 3.346 20 0 FGADRP C[C@@H](CC[NH+](C)C)NC(=O)N1CCC[C@@H]([N@H+](C)Cc2ccccc2)CC1 ZINC000371106243 499288934 /nfs/dbraw/zinc/28/89/34/499288934.db2.gz JFQHCCSGRIVUJW-AZUAARDMSA-N 2 0 360.546 3.023 20 0 FGADRP C[C@H](CC[NH+](C)C)NC(=O)N1CCC[C@H]([N@H+](C)Cc2ccccc2)CC1 ZINC000371106246 499288953 /nfs/dbraw/zinc/28/89/53/499288953.db2.gz JFQHCCSGRIVUJW-QUCCMNQESA-N 2 0 360.546 3.023 20 0 FGADRP CN1CCC([NH+]2CCC(CC[N@H+](C)CCOc3ccccc3)CC2)CC1 ZINC000371157900 499294219 /nfs/dbraw/zinc/29/42/19/499294219.db2.gz PHRCZSHRPFVZFN-UHFFFAOYSA-N 2 0 359.558 3.194 20 0 FGADRP CN(c1ccccc1C[NH2+]C[C@H]1CCC[C@@H](CO)C1)C1CC[NH+](C)CC1 ZINC000368557661 499307223 /nfs/dbraw/zinc/30/72/23/499307223.db2.gz PZQIJNIMBMLFKQ-RBUKOAKNSA-N 2 0 359.558 3.105 20 0 FGADRP O=C(C1CC[NH+](Cc2ccccc2)CC1)N1CCC[C@@H]([NH+]2CCCCC2)C1 ZINC000371593195 499345489 /nfs/dbraw/zinc/34/54/89/499345489.db2.gz RVWUZQFLRZUFKX-JOCHJYFZSA-N 2 0 369.553 3.376 20 0 FGADRP CN(C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)C1CCN(c2cc[nH+]cc2)CC1 ZINC000368955750 499350564 /nfs/dbraw/zinc/35/05/64/499350564.db2.gz WYCIMAKGNPJZRT-UHFFFAOYSA-N 2 0 373.545 3.001 20 0 FGADRP Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+][C@H]2CCN(C3CC[NH+](C)CC3)C2)C1 ZINC000369062952 499361596 /nfs/dbraw/zinc/36/15/96/499361596.db2.gz IOEUBRDIMIEQAO-AQNXPRMDSA-N 2 0 356.558 3.174 20 0 FGADRP Cc1c[nH+]ccc1N1CCC(c2nc(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)no2)CC1 ZINC000371975189 499385835 /nfs/dbraw/zinc/38/58/35/499385835.db2.gz VQPKPFCUNCHDQV-AYHJJNSGSA-N 2 0 367.497 3.497 20 0 FGADRP Cc1c[nH+]ccc1N1CCC(C(=O)N2CC[NH+](C3CCCCC3)CC2)CC1 ZINC000372060805 499394696 /nfs/dbraw/zinc/39/46/96/499394696.db2.gz MGHUVEINFYMUSX-UHFFFAOYSA-N 2 0 370.541 3.083 20 0 FGADRP CC(C)C[NH+]1CCCN(CCCCN2CCC[N@@H+](CC(C)C)CC2)CC1 ZINC000369590560 499423549 /nfs/dbraw/zinc/42/35/49/499423549.db2.gz GURHEANORVQARD-UHFFFAOYSA-N 2 0 366.638 3.094 20 0 FGADRP O=C(N[C@@H](C[NH+]1CCCC1)c1ccccc1)NC1CC([NH+]2CCCCC2)C1 ZINC000369732959 499439559 /nfs/dbraw/zinc/43/95/59/499439559.db2.gz SVFBGJWQDVHRKT-CBNMVNINSA-N 2 0 370.541 3.140 20 0 FGADRP CC[NH+]1CCN([C@H]2CC[N@H+](CCCc3c(F)cccc3Cl)C2)CC1 ZINC000373203861 499457154 /nfs/dbraw/zinc/45/71/54/499457154.db2.gz MNSOMULHOOLUQP-INIZCTEOSA-N 2 0 353.913 3.124 20 0 FGADRP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+]C[C@H](c1ccccc1)C(C)(C)CO ZINC000378398539 499512347 /nfs/dbraw/zinc/51/23/47/499512347.db2.gz GKPDMZSHNGMYPZ-FVTFTPSCSA-N 2 0 374.569 3.268 20 0 FGADRP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCC[C@@H]1[C@H]1COCC[C@]1(C)O ZINC000375410593 499515599 /nfs/dbraw/zinc/51/55/99/499515599.db2.gz KPAIFRPFVIYNOG-XPNTWCBSSA-N 2 0 374.569 3.397 20 0 FGADRP C[C@H](NC(=O)c1cccc(C[NH+](C)C)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000378490298 499523386 /nfs/dbraw/zinc/52/33/86/499523386.db2.gz DKZLRKBMFZJVCE-AVRDEDQJSA-N 2 0 365.521 3.389 20 0 FGADRP C[N@@H+]1CCC[C@H](C[NH2+]C[C@@H](O)COc2ccccc2)[C@H]1c1ccccc1 ZINC000375498914 499526076 /nfs/dbraw/zinc/52/60/76/499526076.db2.gz WZFPCCKYHYQDKU-KCZVDYSFSA-N 2 0 354.494 3.099 20 0 FGADRP CC[NH+](CC)[C@H]1CCN(C(=O)[C@@H]2CCn3c(cnc3C3CCCCC3)C2)C1 ZINC000378513207 499526199 /nfs/dbraw/zinc/52/61/99/499526199.db2.gz CQFBYZREHPVFCM-MOPGFXCFSA-N 2 0 372.557 3.436 20 0 FGADRP C[C@](O)(C[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2)C(F)(F)F ZINC000386211025 499548890 /nfs/dbraw/zinc/54/88/90/499548890.db2.gz MVUFLVDQAMEBDI-KRWDZBQOSA-N 2 0 356.432 3.288 20 0 FGADRP COC(=O)c1ccc(C[NH+]2CCC(C[NH+](C)C)CC2)c(Br)c1 ZINC000389529334 499552646 /nfs/dbraw/zinc/55/26/46/499552646.db2.gz ICKDSQNMQYUFDS-UHFFFAOYSA-N 2 0 369.303 3.009 20 0 FGADRP C[N@H+](C[C@H](O)COc1ccc(Cl)cc1Cl)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000375783653 499555529 /nfs/dbraw/zinc/55/55/29/499555529.db2.gz FAGLHFIOFUSLSS-QXULXFAOSA-N 2 0 373.324 3.290 20 0 FGADRP C[N@H+](C[C@@H](O)COc1ccc(Cl)cc1Cl)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000375783655 499555739 /nfs/dbraw/zinc/55/57/39/499555739.db2.gz FAGLHFIOFUSLSS-VFSICIBPSA-N 2 0 373.324 3.290 20 0 FGADRP COc1ccccc1[C@H](C)[NH2+]CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000390910497 499556234 /nfs/dbraw/zinc/55/62/34/499556234.db2.gz OGXOJGLUYHOHLY-IBGZPJMESA-N 2 0 353.510 3.164 20 0 FGADRP C(=C/C[N@@H+]1CCCC2(CCOCC2)C1)\C[NH+]1CCCC2(CCOCC2)C1 ZINC000375891995 499565490 /nfs/dbraw/zinc/56/54/90/499565490.db2.gz SPQCHBLAKYQMAV-OWOJBTEDSA-N 2 0 362.558 3.328 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCC(=O)Nc1c(F)cccc1F ZINC000397985815 499565455 /nfs/dbraw/zinc/56/54/55/499565455.db2.gz OEKNVPVCVLOKOF-DNVCBOLYSA-N 2 0 373.447 3.404 20 0 FGADRP C[C@H]1C[NH+](CC2CC[NH+](CCCCC3CCOCC3)CC2)C[C@H](C)O1 ZINC000410349446 499656893 /nfs/dbraw/zinc/65/68/93/499656893.db2.gz PVVQECGDUZCFHX-OALUTQOASA-N 2 0 352.563 3.405 20 0 FGADRP C[C@H](NC(=O)N1CCC([NH2+]C2CCCC2)CC1)[C@@H](c1ccccc1)[NH+](C)C ZINC000377266321 499675377 /nfs/dbraw/zinc/67/53/77/499675377.db2.gz PZUFYOJFZHJASX-UWJYYQICSA-N 2 0 372.557 3.384 20 0 FGADRP C[N@H+](C[C@H]1CC12CC[NH+]([C@H]1CCc3ccccc3NC1=O)CC2)C1CC1 ZINC000377307404 499678514 /nfs/dbraw/zinc/67/85/14/499678514.db2.gz IOTBCMVOHVLUNK-XLIONFOSSA-N 2 0 353.510 3.136 20 0 FGADRP Cc1nccn1-c1ccc([C@H](C)[N@@H+]2CCCC[C@H]2[C@@H]2CNC(=O)C2)cc1 ZINC000377550178 499703723 /nfs/dbraw/zinc/70/37/23/499703723.db2.gz OCELXKRLEFRUBM-QSFXBCCZSA-N 2 0 352.482 3.232 20 0 FGADRP C[C@H]1CN(C2CC[NH+](Cc3cccc(C[NH+]4CCCCC4)c3)CC2)CCO1 ZINC000411194431 499709429 /nfs/dbraw/zinc/70/94/29/499709429.db2.gz UOSBBIXIRSZRFY-FQEVSTJZSA-N 2 0 371.569 3.358 20 0 FGADRP C[NH+]1CCN(C[C@@H]2CCC[N@H+](Cc3ccc(-c4ccccc4)o3)C2)CC1 ZINC000377618130 499710877 /nfs/dbraw/zinc/71/08/77/499710877.db2.gz BKKORSDVAWRKEF-IBGZPJMESA-N 2 0 353.510 3.406 20 0 FGADRP Cn1cc(C[NH2+]C[C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)c(-c2ccncc2)n1 ZINC000377758675 499729779 /nfs/dbraw/zinc/72/97/79/499729779.db2.gz CXQXZJCIHZOKDM-DENIHFKCSA-N 2 0 361.493 3.265 20 0 FGADRP C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2CC2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000377834217 499740565 /nfs/dbraw/zinc/74/05/65/499740565.db2.gz JVHUVEHYQNIPPC-ZWKOTPCHSA-N 2 0 351.535 3.050 20 0 FGADRP CC[C@@H]([NH2+]CC(=O)NC1CC[NH+](C(C)C)CC1)C(C)(C)c1ccccc1 ZINC000411476968 499745622 /nfs/dbraw/zinc/74/56/22/499745622.db2.gz HRHKUFQMFJVJKM-HXUWFJFHSA-N 2 0 359.558 3.321 20 0 FGADRP Cc1nccn1-c1ccc([C@H](C)NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1F ZINC000377974786 499752506 /nfs/dbraw/zinc/75/25/06/499752506.db2.gz YRZSYYZVEZCMML-ZQIUZPCESA-N 2 0 358.461 3.227 20 0 FGADRP C[C@@H]1CCCN(c2cc(NC[C@@H]3CC[N@H+](C)[C@H]3c3cccnc3)ncn2)C1 ZINC000377989112 499753871 /nfs/dbraw/zinc/75/38/71/499753871.db2.gz OCYPUYIQJNXSFA-MMOPVJDHSA-N 2 0 366.513 3.213 20 0 FGADRP O=C([C@H]1CCCCN1Cc1ccc(F)cc1)N1CCC(c2c[nH]cn2)CC1 ZINC000378071246 499757253 /nfs/dbraw/zinc/75/72/53/499757253.db2.gz FFYDXAGYLLEUIB-HXUWFJFHSA-N 2 0 370.472 3.310 20 0 FGADRP CC(C)[C@H](CCc1ccccc1)[NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000414182377 499766749 /nfs/dbraw/zinc/76/67/49/499766749.db2.gz DEFCBRNVGKLVFI-QFIPXVFZSA-N 2 0 373.585 3.030 20 0 FGADRP C[C@@H]([NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1)c1ccc2ccccc2c1 ZINC000414202611 499767999 /nfs/dbraw/zinc/76/79/99/499767999.db2.gz UKPQQWWIXHEVNF-LJQANCHMSA-N 2 0 367.537 3.287 20 0 FGADRP C[C@@H]1OCC[C@]12C[N@H+](Cc1cccc(C[NH+]3CCCCC3)c1)C[C@@H](C)O2 ZINC000411669999 499775634 /nfs/dbraw/zinc/77/56/34/499775634.db2.gz KPSJQKFABHELNW-DXIQSLLYSA-N 2 0 358.526 3.441 20 0 FGADRP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000576440536 506158900 /nfs/dbraw/zinc/15/89/00/506158900.db2.gz RAIMPKQHXMERSG-QZTJIDSGSA-N 2 0 360.546 3.240 20 0 FGADRP NC(=O)C1CC[NH+](Cc2ccc(C[NH2+][C@H]3CCC[C@@H]3C3CC3)cc2)CC1 ZINC000414324930 499777956 /nfs/dbraw/zinc/77/79/56/499777956.db2.gz LGERWZFMDKAWGB-RTWAWAEBSA-N 2 0 355.526 3.052 20 0 FGADRP c1ccc(C[N@@H+]2CC[C@H](N3CC[NH+]([C@@H]4C[C@@H]4c4ccccc4)CC3)C2)cc1 ZINC000411719652 499782967 /nfs/dbraw/zinc/78/29/67/499782967.db2.gz NXNTYIPSBZSMEI-RBZQAINGSA-N 2 0 361.533 3.435 20 0 FGADRP OC[C@@]1([C@@H]([NH2+]Cc2cccc(C[NH+]3CCCCC3)c2)C2CC2)CCCO1 ZINC000411774287 499789153 /nfs/dbraw/zinc/78/91/53/499789153.db2.gz VBGFBJLJRGQYHF-FCHUYYIVSA-N 2 0 358.526 3.082 20 0 FGADRP O[C@@H]1C[C@@H]([C@H]2CCCOC2)[N@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000411785382 499790388 /nfs/dbraw/zinc/79/03/88/499790388.db2.gz JRVBQLZJLVXRLG-BDTNDASRSA-N 2 0 358.526 3.034 20 0 FGADRP CC(CC[NH+]1CC[C@H](O)CC(C)(C)C1)CC[N@@H+]1CC[C@H](O)CC(C)(C)C1 ZINC000411801666 499792207 /nfs/dbraw/zinc/79/22/07/499792207.db2.gz ZJNFBYVMKSFOAF-PMACEKPBSA-N 2 0 368.606 3.369 20 0 FGADRP CC(CC[NH+](C)[C@@H]1CCN(C(C)C)C1)CC[N@H+](C)[C@@H]1CCN(C(C)C)C1 ZINC000411879410 499799318 /nfs/dbraw/zinc/79/93/18/499799318.db2.gz RTDHQBAXMXUHDU-FGZHOGPDSA-N 2 0 366.638 3.232 20 0 FGADRP NC(=O)C1CC[NH+](Cc2ccc(C[NH2+]CC3CCCCCC3)cc2)CC1 ZINC000414559635 499808973 /nfs/dbraw/zinc/80/89/73/499808973.db2.gz VIPPKVHKZKNRKF-UHFFFAOYSA-N 2 0 357.542 3.444 20 0 FGADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CC3(CCOCC3)[C@H]2c2ccccc2)CC1 ZINC000412013354 499812812 /nfs/dbraw/zinc/81/28/12/499812812.db2.gz NVQRMPDLQGTLPY-JOCHJYFZSA-N 2 0 371.569 3.256 20 0 FGADRP Cc1ccccc1C[N@@H+](Cc1ccccc1)C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414708958 499821721 /nfs/dbraw/zinc/82/17/21/499821721.db2.gz QQIIQQHPLLMQGS-OAQYLSRUSA-N 2 0 365.521 3.195 20 0 FGADRP CC[NH+](CC)CCOc1ccccc1NC(=O)N1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000414776817 499829990 /nfs/dbraw/zinc/82/99/90/499829990.db2.gz DHPAXEAHRTTZLD-FUHWJXTLSA-N 2 0 362.518 3.141 20 0 FGADRP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](Cc2ccc(-c3ccncc3)cc2F)CC1 ZINC000414779078 499830087 /nfs/dbraw/zinc/83/00/87/499830087.db2.gz HHZKWHVZRVCHOV-RTWAWAEBSA-N 2 0 355.457 3.216 20 0 FGADRP CCOc1c(Br)cc(C[NH2+][C@H]2CCCC[C@@H]2C[NH3+])cc1OC ZINC000414800891 499832702 /nfs/dbraw/zinc/83/27/02/499832702.db2.gz LOCRFURECFUGNP-HIFRSBDPSA-N 2 0 371.319 3.464 20 0 FGADRP COc1ccc(C(=O)Nc2cccc(C[NH2+]CC[C@@H]3CC[NH2+]C3)c2)cc1 ZINC000414840587 499836418 /nfs/dbraw/zinc/83/64/18/499836418.db2.gz XHCYGMKTWJTUCK-INIZCTEOSA-N 2 0 353.466 3.037 20 0 FGADRP C[NH2+]C[C@H](C)C[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc(OC)cc1 ZINC000414847175 499837346 /nfs/dbraw/zinc/83/73/46/499837346.db2.gz VKAIBSDAUQCKQL-KRWDZBQOSA-N 2 0 364.493 3.493 20 0 FGADRP C[C@H](C[NH3+])C[NH2+]Cc1cc(Br)ccc1OCc1ccccn1 ZINC000414871605 499839765 /nfs/dbraw/zinc/83/97/65/499839765.db2.gz DLRCNCQVSFDCGW-CYBMUJFWSA-N 2 0 364.287 3.108 20 0 FGADRP COc1cc(C[NH2+]CC2(C)CC[NH2+]CC2)ccc1OCc1ccncc1 ZINC000414904137 499843312 /nfs/dbraw/zinc/84/33/12/499843312.db2.gz MVFCGFSDZXMSIE-UHFFFAOYSA-N 2 0 355.482 3.149 20 0 FGADRP COc1ccc(Cn2nc(C)c(C[NH2+]CC3(C)CC[NH2+]CC3)c2C)cc1 ZINC000414903748 499843383 /nfs/dbraw/zinc/84/33/83/499843383.db2.gz MDHQRUNCJLCYRZ-UHFFFAOYSA-N 2 0 356.514 3.036 20 0 FGADRP COc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]CCCC[NH3+])cc1 ZINC000414910133 499844040 /nfs/dbraw/zinc/84/40/40/499844040.db2.gz RUZOGLNPYMFEEQ-UHFFFAOYSA-N 2 0 350.466 3.376 20 0 FGADRP C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+]C[C@@]1(C)CCC[NH2+]C1 ZINC000414916702 499844360 /nfs/dbraw/zinc/84/43/60/499844360.db2.gz QDOQADNNXKQNCY-DYVFJYSZSA-N 2 0 373.419 3.282 20 0 FGADRP COc1cc(C[NH2+]C[C@]2(C)CCC[NH2+]C2)ccc1OCc1ccncc1 ZINC000414917024 499844385 /nfs/dbraw/zinc/84/43/85/499844385.db2.gz QUYXLYYEOVFVPR-OAQYLSRUSA-N 2 0 355.482 3.149 20 0 FGADRP C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1cccc(C[NH+]2CCCCC2)c1 ZINC000412343319 499846838 /nfs/dbraw/zinc/84/68/38/499846838.db2.gz ICFYJNSDYSLXPR-GHTZIAJQSA-N 2 0 355.526 3.371 20 0 FGADRP C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000414980370 499851057 /nfs/dbraw/zinc/85/10/57/499851057.db2.gz WJYSFGGKKCDMBC-CRAIPNDOSA-N 2 0 351.922 3.199 20 0 FGADRP FC(F)(F)[C@@H](C[NH2+]Cc1c(Cl)oc2ccccc21)N1CC[NH2+]CC1 ZINC000414983773 499851533 /nfs/dbraw/zinc/85/15/33/499851533.db2.gz LOUZNXAGFPTJID-CQSZACIVSA-N 2 0 361.795 3.012 20 0 FGADRP C[C@H](Cc1ccc(Br)cc1F)[NH2+]C[C@H]1CCNCC1(F)F ZINC000414993453 499852494 /nfs/dbraw/zinc/85/24/94/499852494.db2.gz CIWDXYXEEJKLSC-ZYHUDNBSSA-N 2 0 365.237 3.354 20 0 FGADRP Fc1ccc([C@@H]2CC[NH2+]C[C@@H]2C[NH2+]Cc2ccc(N3CCCC3)nc2)cc1 ZINC000414994893 499852999 /nfs/dbraw/zinc/85/29/99/499852999.db2.gz DZGSFNHUJYUQFY-CTNGQTDRSA-N 2 0 368.500 3.304 20 0 FGADRP C[C@H](CCCC[NH3+])[NH2+]Cc1nc(-c2ccc(Br)cc2)c[nH]1 ZINC000415021427 499855566 /nfs/dbraw/zinc/85/55/66/499855566.db2.gz YOLITIZERJWUGK-GFCCVEGCSA-N 2 0 351.292 3.446 20 0 FGADRP Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+][C@H]1CC[C@@H](C[NH3+])C1 ZINC000415049708 499858172 /nfs/dbraw/zinc/85/81/72/499858172.db2.gz XWUARGXXVPHJPB-CJNGLKHVSA-N 2 0 363.303 3.160 20 0 FGADRP c1ccc(-c2cccc(C[NH2+]C3CCC([NH+]4CCNCC4)CC3)c2)nc1 ZINC000415052342 499858592 /nfs/dbraw/zinc/85/85/92/499858592.db2.gz KSBNXWWKUFLRMT-UHFFFAOYSA-N 2 0 350.510 3.055 20 0 FGADRP COc1cc([C@@H](C)[NH2+]C[C@H]2CCC[NH2+]C2)ccc1OCc1ccncc1 ZINC000415095315 499862892 /nfs/dbraw/zinc/86/28/92/499862892.db2.gz ZLORHWVKUIRSPU-AEFFLSMTSA-N 2 0 355.482 3.319 20 0 FGADRP C[C@@H]([NH2+]C1CCC([NH3+])CC1)c1nc(-c2ccc(Br)cc2)no1 ZINC000415100731 499863636 /nfs/dbraw/zinc/86/36/36/499863636.db2.gz HDBIVQWRACMAEP-GWMXKSKGSA-N 2 0 365.275 3.420 20 0 FGADRP CCOc1c(Cl)cccc1C[NH+]1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000415106994 499864506 /nfs/dbraw/zinc/86/45/06/499864506.db2.gz KHAVEISKUKSBQE-IEBWSBKVSA-N 2 0 352.906 3.457 20 0 FGADRP CCC[C@@H]([NH2+]C[C@@H]1CCCN(C(=O)C[NH3+])C1)c1cccc(C(F)(F)F)c1 ZINC000415107237 499864679 /nfs/dbraw/zinc/86/46/79/499864679.db2.gz NNYACGMBEXXCBR-WMLDXEAASA-N 2 0 371.447 3.334 20 0 FGADRP [NH3+][C@H]1CCCO[C@@H]1C1CC[NH+](Cc2cccc(Br)c2)CC1 ZINC000415122407 499866572 /nfs/dbraw/zinc/86/65/72/499866572.db2.gz IFZJZEVKBRGIRY-DLBZAZTESA-N 2 0 353.304 3.167 20 0 FGADRP [NH3+][C@H]1CCO[C@@H](C2CC[NH+](Cc3c(F)cccc3N3CCCC3)CC2)C1 ZINC000415124686 499866974 /nfs/dbraw/zinc/86/69/74/499866974.db2.gz NAQUIXNLIAWIRH-LAUBAEHRSA-N 2 0 361.505 3.144 20 0 FGADRP NC1(C[NH2+]CCCCOc2ccccc2)CC[NH+](Cc2ccccc2)CC1 ZINC000415133262 499868416 /nfs/dbraw/zinc/86/84/16/499868416.db2.gz MWCRTVVCSYMWNN-UHFFFAOYSA-N 2 0 367.537 3.429 20 0 FGADRP C[C@@H]1CC[N@H+](Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)C[C@@H]1C[NH3+] ZINC000415133348 499868566 /nfs/dbraw/zinc/86/85/66/499868566.db2.gz VBXYAQQZSQMUOW-HIFRSBDPSA-N 2 0 352.404 3.308 20 0 FGADRP CCOc1ccccc1C[NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1 ZINC000415140406 499869503 /nfs/dbraw/zinc/86/95/03/499869503.db2.gz ZDQLRXIOWCQYMS-UHFFFAOYSA-N 2 0 353.510 3.168 20 0 FGADRP C[NH2+]Cc1ccccc1NC(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000415901435 499926295 /nfs/dbraw/zinc/92/62/95/499926295.db2.gz NEOVEYDKANBUQQ-FQEVSTJZSA-N 2 0 352.482 3.365 20 0 FGADRP C[NH2+]Cc1ccccc1NC(=O)N[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000415913633 499927696 /nfs/dbraw/zinc/92/76/96/499927696.db2.gz QBTSJRDWLQCZNT-APWZRJJASA-N 2 0 352.482 3.191 20 0 FGADRP C[NH2+]Cc1ccc(NC(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)cc1 ZINC000415994868 499938721 /nfs/dbraw/zinc/93/87/21/499938721.db2.gz WMRMMJYVLMDTOA-HXUWFJFHSA-N 2 0 352.482 3.365 20 0 FGADRP CC[C@@H]1CN(C(=O)Nc2ccc3c(c2)C[NH2+]C3)CC[N@@H+]1Cc1ccccc1 ZINC000416005799 499940138 /nfs/dbraw/zinc/94/01/38/499940138.db2.gz IVGKNRSNQYWADB-OAQYLSRUSA-N 2 0 364.493 3.418 20 0 FGADRP C[NH2+]Cc1ccc(NC(=O)N(CC[NH+](C)C)Cc2cccc(OC)c2)cc1 ZINC000416006061 499940198 /nfs/dbraw/zinc/94/01/98/499940198.db2.gz JHKPQEYKIIUMTR-UHFFFAOYSA-N 2 0 370.497 3.010 20 0 FGADRP [NH3+]Cc1ccc(NC(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)cc1 ZINC000570425232 506166131 /nfs/dbraw/zinc/16/61/31/506166131.db2.gz MNIBAZVFAMONPJ-UXHICEINSA-N 2 0 364.493 3.131 20 0 FGADRP C[C@H]1CCC[N@H+](CCCCNC(=O)N(CCC[NH3+])Cc2ccccc2)C1 ZINC000417033038 499952825 /nfs/dbraw/zinc/95/28/25/499952825.db2.gz FKZDTUDTXWZWNK-IBGZPJMESA-N 2 0 360.546 3.059 20 0 FGADRP C[C@H](NC(=O)C[C@H](c1ccccc1)[NH+](C)C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000416201216 499979186 /nfs/dbraw/zinc/97/91/86/499979186.db2.gz RKAWZEHNVOGROD-HFSMHLIXSA-N 2 0 357.542 3.449 20 0 FGADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)NC2CCC(C[NH+](C)C)CC2)C1 ZINC000429079776 500000022 /nfs/dbraw/zinc/00/00/22/500000022.db2.gz BFMXWCPXZXJNTP-AXIYNFMDSA-N 2 0 372.557 3.242 20 0 FGADRP C[NH+](C)Cc1ccc(C(=O)Nc2nc3c(s2)C[N@@H+](C(C)(C)C)CC3)cn1 ZINC000425038432 500001623 /nfs/dbraw/zinc/00/16/23/500001623.db2.gz LSWVNNLEKGBDMY-UHFFFAOYSA-N 2 0 373.526 3.009 20 0 FGADRP C[NH2+]C[C@H]1CCCN(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCC(C)CC2)C1 ZINC000417212996 500006868 /nfs/dbraw/zinc/00/68/68/500006868.db2.gz IMTQHDQZNLTSHN-CTNGQTDRSA-N 2 0 372.557 3.101 20 0 FGADRP C[N@H+](Cc1ccccc1CNC(=O)NCC[C@H]1CCC[NH2+]1)C1CCCCC1 ZINC000417224251 500009900 /nfs/dbraw/zinc/00/99/00/500009900.db2.gz RLALYTIGNFRKCL-HXUWFJFHSA-N 2 0 372.557 3.392 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)N[C@H](C)CC[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000417292339 500030443 /nfs/dbraw/zinc/03/04/43/500030443.db2.gz CHZUNQOEDUIRRM-CJNGLKHVSA-N 2 0 374.451 3.125 20 0 FGADRP O=C(NCC[NH2+]C1CCCCCC1)NC1CC[NH+](CC2CCCC2)CC1 ZINC000417316026 500038166 /nfs/dbraw/zinc/03/81/66/500038166.db2.gz AINIXOFIYKZNNJ-UHFFFAOYSA-N 2 0 364.578 3.253 20 0 FGADRP CS[C@@H]1CC[C@H]1[NH2+]Cc1cc(C(F)(F)F)ccc1N1CC[NH+](C)CC1 ZINC000425360654 500084648 /nfs/dbraw/zinc/08/46/48/500084648.db2.gz SPGZUWAVPLQICD-NVXWUHKLSA-N 2 0 373.488 3.441 20 0 FGADRP Cc1cnccc1C[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000582281770 506175109 /nfs/dbraw/zinc/17/51/09/506175109.db2.gz IUCSKGJYPCOPIF-QFIPXVFZSA-N 2 0 365.521 3.408 20 0 FGADRP CC[NH+]1CCN(Cc2ccccc2C[NH2+][C@H](C)CC2(OC)CCC2)CC1 ZINC000429514795 500091444 /nfs/dbraw/zinc/09/14/44/500091444.db2.gz AJRLELDWBMOPSV-LJQANCHMSA-N 2 0 359.558 3.261 20 0 FGADRP C[NH+](C)[C@@H]1CCCN(C[C@@H](O)COc2cc(Cl)ccc2Cl)CC1 ZINC000429541384 500097338 /nfs/dbraw/zinc/09/73/38/500097338.db2.gz OUKANZWKCDBLHP-HUUCEWRRSA-N 2 0 361.313 3.149 20 0 FGADRP COC(=O)[C@H](CC[NH2+][C@@H]1CCN(C)[C@@H]1c1ccccc1)c1ccccc1 ZINC000425448779 500109236 /nfs/dbraw/zinc/10/92/36/500109236.db2.gz VVICHEZYIOQTGI-NJDAHSKKSA-N 2 0 352.478 3.368 20 0 FGADRP C[C@@H]([NH3+])c1ccc(CNC(=O)NC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000416795427 500122704 /nfs/dbraw/zinc/12/27/04/500122704.db2.gz SWZPCEHSQKINMS-QGZVFWFLSA-N 2 0 366.509 3.170 20 0 FGADRP C[NH2+]C[C@H]1CCCN(C(=O)NCc2ccccc2C[NH+]2CCCCCC2)C1 ZINC000417632367 500130975 /nfs/dbraw/zinc/13/09/75/500130975.db2.gz YNWDLWUXIUAFEO-LJQANCHMSA-N 2 0 372.557 3.204 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)NC1(C)CC[NH2+]CC1)c1ccccc1Cl ZINC000416831163 500131952 /nfs/dbraw/zinc/13/19/52/500131952.db2.gz HLVQIESPSLREHG-QGZVFWFLSA-N 2 0 366.937 3.164 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N1CCC(C[NH3+])CC1)c1ccccc1Cl ZINC000416842581 500135462 /nfs/dbraw/zinc/13/54/62/500135462.db2.gz NMTYAJAOGMFXQM-GOSISDBHSA-N 2 0 366.937 3.103 20 0 FGADRP CCCN(C(=O)NC[C@H](c1ccc(CC)cc1)[NH+](C)C)C1CC[NH2+]CC1 ZINC000416849597 500137808 /nfs/dbraw/zinc/13/78/08/500137808.db2.gz YFXBHUNVRPWSMQ-HXUWFJFHSA-N 2 0 360.546 3.025 20 0 FGADRP CC[NH+](CC)Cc1ccc(CNC(=O)N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000416894188 500149485 /nfs/dbraw/zinc/14/94/85/500149485.db2.gz YLJAIEIUGLTBIP-LEWJYISDSA-N 2 0 372.557 3.060 20 0 FGADRP CCC(CC)(CNC(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1)[NH2+][C@@H](C)c1ccccc1 ZINC000417695621 500150273 /nfs/dbraw/zinc/15/02/73/500150273.db2.gz BKDZUQPCFHWMQT-IHPCNDPISA-N 2 0 372.557 3.289 20 0 FGADRP CCC(CC)(CNC(=O)N1CC[C@](C)(C[NH3+])C1)[NH2+][C@@H](C)c1ccccc1 ZINC000417701990 500152471 /nfs/dbraw/zinc/15/24/71/500152471.db2.gz JZYADFJENSXQAO-FXAWDEMLSA-N 2 0 360.546 3.276 20 0 FGADRP C[NH2+]CCC1CCN(C(=O)NCC(C)(C)[NH2+][C@H](C)c2ccccc2)CC1 ZINC000417704751 500153071 /nfs/dbraw/zinc/15/30/71/500153071.db2.gz MOYLZUWGBNLRLR-QGZVFWFLSA-N 2 0 360.546 3.147 20 0 FGADRP CC[NH+](CC)C[C@@H]1CCCC[C@H]1N[C@H](C)c1ncc(C(=O)OC)s1 ZINC000414117903 500158077 /nfs/dbraw/zinc/15/80/77/500158077.db2.gz SZHZOLVFGJXJLU-QLFBSQMISA-N 2 0 353.532 3.481 20 0 FGADRP COc1ccc([C@H]([NH2+]C[C@H](C)CN2CC[NH+](C)CC2)C(C)C)c(F)c1 ZINC000421825522 500160142 /nfs/dbraw/zinc/16/01/42/500160142.db2.gz OARNBTCGJLTUJA-OXJNMPFZSA-N 2 0 351.510 3.005 20 0 FGADRP COc1ccc([C@H]([NH2+]CCCC[N@@H+]2CCC[C@H]2CO)C2CC2)c(F)c1 ZINC000421838580 500161692 /nfs/dbraw/zinc/16/16/92/500161692.db2.gz VOQOJBGZHRSYML-OXJNMPFZSA-N 2 0 350.478 3.112 20 0 FGADRP CCC(CC)[C@@H](CNC(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1)[NH+]1CCCC1 ZINC000416958466 500166076 /nfs/dbraw/zinc/16/60/76/500166076.db2.gz PBDWTTFDSRIWPV-VQTJNVASSA-N 2 0 364.578 3.061 20 0 FGADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000416970512 500170859 /nfs/dbraw/zinc/17/08/59/500170859.db2.gz NSKYCEKVMQEVAJ-FQEVSTJZSA-N 2 0 372.557 3.058 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000416976125 500172540 /nfs/dbraw/zinc/17/25/40/500172540.db2.gz NWVUMXPOFRTUFI-NQIIRXRSSA-N 2 0 372.557 3.392 20 0 FGADRP C[C@H](CCC[NH3+])NC(=O)NCc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000416979989 500173876 /nfs/dbraw/zinc/17/38/76/500173876.db2.gz ASROWCJEQBTTFY-FGTMMUONSA-N 2 0 360.546 3.091 20 0 FGADRP CC[NH+](CC)Cc1cccc(CNC(=O)N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000416979687 500174030 /nfs/dbraw/zinc/17/40/30/500174030.db2.gz HYFTZCDKUZPBHH-LEWJYISDSA-N 2 0 372.557 3.060 20 0 FGADRP CC1CC[NH+](Cc2ccc(CNC(=O)NCC[C@H]3CCC[NH2+]C3)cc2)CC1 ZINC000416986738 500176238 /nfs/dbraw/zinc/17/62/38/500176238.db2.gz ZYWNGGYATVMBLN-LJQANCHMSA-N 2 0 372.557 3.107 20 0 FGADRP C[C@@H](C[NH3+])N(C)C(=O)NCCC[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000417826113 500179606 /nfs/dbraw/zinc/17/96/06/500179606.db2.gz MHMWGQZPWVWXBO-IBGZPJMESA-N 2 0 368.525 3.068 20 0 FGADRP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)NCc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000416997865 500179896 /nfs/dbraw/zinc/17/98/96/500179896.db2.gz WIIARWGKWOFUIJ-IIMDRIAPSA-N 2 0 372.557 3.043 20 0 FGADRP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)N(C)C2CC[NH2+]CC2)C1 ZINC000417001528 500181247 /nfs/dbraw/zinc/18/12/47/500181247.db2.gz MVZSZRGIUHRLLL-QZTJIDSGSA-N 2 0 372.557 3.058 20 0 FGADRP CC(C)C[C@H](CNC(=O)N(C)C1CC[NH2+]CC1)[NH2+][C@@H](C)c1ccccc1 ZINC000417867722 500187551 /nfs/dbraw/zinc/18/75/51/500187551.db2.gz FRJFVFDYKRWAJJ-PKOBYXMFSA-N 2 0 360.546 3.145 20 0 FGADRP CCCC[N@H+](CC)Cc1cccc(CNC(=O)NCC2(C)CC[NH2+]CC2)c1 ZINC000417868444 500187752 /nfs/dbraw/zinc/18/77/52/500187752.db2.gz CPWRLNZXEUZSOA-UHFFFAOYSA-N 2 0 374.573 3.498 20 0 FGADRP CC(C)C[C@H](CNC(=O)NC1CCC([NH3+])CC1)[NH2+][C@H](C)c1ccccc1 ZINC000417876844 500189854 /nfs/dbraw/zinc/18/98/54/500189854.db2.gz PIAZJFXGNPLBNQ-SGZDXZSOSA-N 2 0 360.546 3.321 20 0 FGADRP CCC1(CNC(=O)N2CC[C@@H]([NH3+])[C@@H](C)C2)CC[NH+](Cc2ccccc2)CC1 ZINC000417923800 500198803 /nfs/dbraw/zinc/19/88/03/500198803.db2.gz LOSDIPJVCIXDDT-AZUAARDMSA-N 2 0 372.557 3.058 20 0 FGADRP C[C@@H]1C[C@@H](NCc2ccc(F)cc2I)CC[N@@H+]1C ZINC000417959123 500204776 /nfs/dbraw/zinc/20/47/76/500204776.db2.gz LKKHPAJBLSYUAY-MFKMUULPSA-N 2 0 362.230 3.003 20 0 FGADRP CN(C)C(=O)c1ccccc1C[NH2+]Cc1cccc(C[NH+]2CCCC2)c1 ZINC000417961886 500205388 /nfs/dbraw/zinc/20/53/88/500205388.db2.gz GOVRGOIVDPFZIW-UHFFFAOYSA-N 2 0 351.494 3.274 20 0 FGADRP C[C@@H](NC(=O)NCC[NH2+]C1CCCCCC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000417984296 500209187 /nfs/dbraw/zinc/20/91/87/500209187.db2.gz DGIYHYTZGLIXKE-MSOLQXFVSA-N 2 0 364.578 3.251 20 0 FGADRP CC(C)N(CC[NH+](C)C)C(=O)NC[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000430217858 500210902 /nfs/dbraw/zinc/21/09/02/500210902.db2.gz LOHNUQXCLWBBBE-NRFANRHFSA-N 2 0 360.546 3.023 20 0 FGADRP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCC(C)CC1)C(C)(C)n1cncn1 ZINC000570502727 506182821 /nfs/dbraw/zinc/18/28/21/506182821.db2.gz NRUCEDUBWQIOAQ-GOSISDBHSA-N 2 0 355.530 3.423 20 0 FGADRP CCc1ccc([C@H](CNC(=O)NC2CCC([NH+](C)C)CC2)[NH+](C)C)cc1 ZINC000422143432 500219664 /nfs/dbraw/zinc/21/96/64/500219664.db2.gz PORXESIALFMZDB-MHJFOBGBSA-N 2 0 360.546 3.024 20 0 FGADRP C[NH+](C)CCc1ccc(CNC(=O)N[C@@H](CCC[NH3+])c2ccccc2)cc1 ZINC000418053333 500221682 /nfs/dbraw/zinc/22/16/82/500221682.db2.gz BZLMBLCRBQXWMH-NRFANRHFSA-N 2 0 368.525 3.070 20 0 FGADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@H](Cc1cccnc1)c1cccc(Cl)c1 ZINC000426012388 500225367 /nfs/dbraw/zinc/22/53/67/500225367.db2.gz DOXCBYRZLVAOEV-LAUBAEHRSA-N 2 0 372.944 3.244 20 0 FGADRP C[C@@H](C[NH2+][C@H](Cc1cccnc1)c1cccc(Cl)c1)N1CC[NH+](C)CC1 ZINC000426041030 500229562 /nfs/dbraw/zinc/22/95/62/500229562.db2.gz CFGWPIURZMDTGM-LAUBAEHRSA-N 2 0 372.944 3.244 20 0 FGADRP CCC[N@H+](C)[C@H](CNC(=O)N1CC[C@H]([C@H](C)[NH3+])C1)c1ccc(Cl)cc1 ZINC000418185258 500244830 /nfs/dbraw/zinc/24/48/30/500244830.db2.gz QWTOEIQTTBQELV-QILLFSRXSA-N 2 0 366.937 3.102 20 0 FGADRP Cc1cc(CNC(=O)NCC[NH2+]C2CCCCCC2)cc(N2CCCC2)n1 ZINC000418204600 500248868 /nfs/dbraw/zinc/24/88/68/500248868.db2.gz XSOIWLTULOXRSW-UHFFFAOYSA-N 2 0 373.545 3.102 20 0 FGADRP CCc1ccc([C@@H](CNC(=O)N2CCC[C@H](C[NH2+]C)C2)[NH+](CC)CC)cc1 ZINC000418209813 500249931 /nfs/dbraw/zinc/24/99/31/500249931.db2.gz FXBCVFFLNVRLMT-TZIWHRDSSA-N 2 0 374.573 3.273 20 0 FGADRP CCCN(C(=O)NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1)[C@H]1CC[NH2+]C1 ZINC000418227717 500252928 /nfs/dbraw/zinc/25/29/28/500252928.db2.gz AMPSGUQIPPEUNE-RTWAWAEBSA-N 2 0 372.557 3.072 20 0 FGADRP CC[NH2+]CC1CC[NH+](CC(=O)N[C@@H](CC)c2ccc(Cl)cc2)CC1 ZINC000430580461 500257942 /nfs/dbraw/zinc/25/79/42/500257942.db2.gz HLHIDXLYQIFTMS-SFHVURJKSA-N 2 0 351.922 3.229 20 0 FGADRP CC[NH2+]CC1CC[NH+](CC(=O)N[C@H](C)c2ccc(Cl)cc2Cl)CC1 ZINC000430582201 500257948 /nfs/dbraw/zinc/25/79/48/500257948.db2.gz JRIOXNLTXSRMDB-CYBMUJFWSA-N 2 0 372.340 3.492 20 0 FGADRP CC[NH2+]CC1CC[NH+](CC(=O)N[C@@H](C)c2ccc3ccccc3c2)CC1 ZINC000430586079 500258449 /nfs/dbraw/zinc/25/84/49/500258449.db2.gz XXVGWYOORZJJME-KRWDZBQOSA-N 2 0 353.510 3.339 20 0 FGADRP CC(C)c1ccc([C@@H]([NH3+])CNC(=O)NCc2ccc([C@H](C)[NH3+])cc2)cc1 ZINC000418357110 500267966 /nfs/dbraw/zinc/26/79/66/500267966.db2.gz QMQWUCMSOPTWMU-YWZLYKJASA-N 2 0 354.498 3.329 20 0 FGADRP C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)[C@H](C[NH3+])c3ccccc3)cc2)C1 ZINC000430740695 500278081 /nfs/dbraw/zinc/27/80/81/500278081.db2.gz BZKSUCXRBQXGBL-XMSQKQJNSA-N 2 0 365.521 3.277 20 0 FGADRP C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)c2ccc3c(ccn3CCC[NH3+])c2)C1 ZINC000430755886 500280652 /nfs/dbraw/zinc/28/06/52/500280652.db2.gz QIGXSGOXPOOKGH-ROUUACIJSA-N 2 0 370.541 3.088 20 0 FGADRP FC(F)(F)c1cccc(CCC[NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000422699640 500287227 /nfs/dbraw/zinc/28/72/27/500287227.db2.gz AVOKGQHCCVIJSS-FGTMMUONSA-N 2 0 356.432 3.385 20 0 FGADRP CCOC(=O)C1([C@H](C)[NH2+]Cc2ccccc2OC2CCCC2)CC[NH2+]CC1 ZINC000422698409 500287276 /nfs/dbraw/zinc/28/72/76/500287276.db2.gz ZEQBQCOCVUPGQB-KRWDZBQOSA-N 2 0 374.525 3.419 20 0 FGADRP c1ccc(CCOCCC[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422705433 500287650 /nfs/dbraw/zinc/28/76/50/500287650.db2.gz BZGJNFQKLXHXGM-FYYLOGMGSA-N 2 0 366.505 3.481 20 0 FGADRP COc1ccc(CC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)c(OC)c1OC ZINC000422705241 500287810 /nfs/dbraw/zinc/28/78/10/500287810.db2.gz RCTAZOBFUDAVIH-OKZBNKHCSA-N 2 0 362.514 3.155 20 0 FGADRP COCC[N@H+](C)CC[C@H](N[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000422719926 500289922 /nfs/dbraw/zinc/28/99/22/500289922.db2.gz RQDAAQSGHGNCLW-MYGLTJDJSA-N 2 0 359.558 3.206 20 0 FGADRP C[C@H](COc1cccc(F)c1)[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422740687 500292544 /nfs/dbraw/zinc/29/25/44/500292544.db2.gz OCVUZEFHBJEYFV-MFMILTCTSA-N 2 0 356.441 3.439 20 0 FGADRP C[C@@H](C[NH3+])NC(=O)N1CCCCC[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000418571277 500292928 /nfs/dbraw/zinc/29/29/28/500292928.db2.gz RIOPXHZJHKZDIM-RXVVDRJESA-N 2 0 372.557 3.200 20 0 FGADRP CC1CC[NH+](Cc2cccc(C[NH2+][C@@H]3CCOC[C@@H]3[C@@H]3CCC[NH2+]3)c2)CC1 ZINC000422745364 500293390 /nfs/dbraw/zinc/29/33/90/500293390.db2.gz UWVWOFBKLGIZRN-XPWALMASSA-N 3 0 371.569 3.165 20 0 FGADRP CN(C)[C@H](C[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1ccccc1 ZINC000422753264 500294690 /nfs/dbraw/zinc/29/46/90/500294690.db2.gz IGJJOOCVXCCQFR-SJBKTWHCSA-N 2 0 351.494 3.135 20 0 FGADRP CN(C)[C@H](C[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1cccs1 ZINC000422772543 500295663 /nfs/dbraw/zinc/29/56/63/500295663.db2.gz YWVGWFRJIZTOLH-QKLQHJQFSA-N 2 0 357.523 3.196 20 0 FGADRP C[C@H](C[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)Oc1ccc(F)cc1 ZINC000422778772 500296390 /nfs/dbraw/zinc/29/63/90/500296390.db2.gz AXPMQSNJOGPAFA-VMRPVKRXSA-N 2 0 356.441 3.439 20 0 FGADRP CC[NH+](CC)CCCC1CCN(C(=O)N[C@@H](C[NH3+])C2CCCC2)CC1 ZINC000418616496 500297111 /nfs/dbraw/zinc/29/71/11/500297111.db2.gz HRWBLAMJRAEPJZ-IBGZPJMESA-N 2 0 352.567 3.048 20 0 FGADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CCc1ccn(-c2ccc(F)cc2)n1 ZINC000422796364 500298678 /nfs/dbraw/zinc/29/86/78/500298678.db2.gz YIUJUHMQGRQSEB-CQSZACIVSA-N 2 0 353.445 3.067 20 0 FGADRP CCOC(=O)C1([C@H](C)[NH2+][C@@H]2CCCO[C@H]2c2ccc(C)cc2)CC[NH2+]CC1 ZINC000422801775 500299479 /nfs/dbraw/zinc/29/94/79/500299479.db2.gz ANHOSHSMISDKMX-SXLOBPIMSA-N 2 0 374.525 3.126 20 0 FGADRP [NH3+]CCC[C@H](NC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)c1ccccc1 ZINC000418660604 500303639 /nfs/dbraw/zinc/30/36/39/500303639.db2.gz OFEGXMZMKPTDGY-GIVPXCGWSA-N 2 0 370.541 3.125 20 0 FGADRP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000422841250 500304967 /nfs/dbraw/zinc/30/49/67/500304967.db2.gz CTKDYNGUDUBRSH-AUSIDOKSSA-N 2 0 351.538 3.242 20 0 FGADRP CCOCCOc1cc(C)ccc1C[NH2+][C@H](C)c1ccc(C[NH3+])nc1C ZINC000422849286 500305259 /nfs/dbraw/zinc/30/52/59/500305259.db2.gz BUKYEELCTFBQJU-MRXNPFEDSA-N 2 0 357.498 3.423 20 0 FGADRP C[C@H](C[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)N(C)c1ccccc1 ZINC000422863452 500307234 /nfs/dbraw/zinc/30/72/34/500307234.db2.gz PBLQEVWKMARJDF-AGHHOFFYSA-N 2 0 351.494 3.357 20 0 FGADRP COCCCOc1cc(C)ccc1C[NH2+][C@H](C)c1ccc(C[NH3+])nc1C ZINC000422864267 500307619 /nfs/dbraw/zinc/30/76/19/500307619.db2.gz MTRNNQJPECTECO-MRXNPFEDSA-N 2 0 357.498 3.423 20 0 FGADRP C[C@@H]([NH3+])C1CC[NH+](CC(=O)NCC2(c3ccccc3)CCCCC2)CC1 ZINC000430927786 500308482 /nfs/dbraw/zinc/30/84/82/500308482.db2.gz RUKLTKFRNAXRKA-GOSISDBHSA-N 2 0 357.542 3.064 20 0 FGADRP CCOC(=O)C1([C@H](C)[NH2+][C@H](CC)c2ccccc2OCC)CC[NH2+]CC1 ZINC000422877250 500308983 /nfs/dbraw/zinc/30/89/83/500308983.db2.gz HNMJRQJPASIWGG-FUHWJXTLSA-N 2 0 362.514 3.447 20 0 FGADRP C[C@@H]1C[N@H+](CCC(=O)N[C@H](c2cccs2)c2ccccc2)CC[C@H]1[NH3+] ZINC000430932325 500309098 /nfs/dbraw/zinc/30/90/98/500309098.db2.gz DZMUFHBPDSURGG-MDYRTPRTSA-N 2 0 357.523 3.013 20 0 FGADRP C[C@H](C(=O)N[C@@H](C)c1cccc2ccccc21)[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000430935349 500310002 /nfs/dbraw/zinc/31/00/02/500310002.db2.gz POGLSMNVEYGOGL-YESZJQIVSA-N 2 0 353.510 3.465 20 0 FGADRP C[C@H]([NH3+])C1CC[NH+]([C@@H](C)C(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)CC1 ZINC000430939727 500310472 /nfs/dbraw/zinc/31/04/72/500310472.db2.gz MHOYNKNCHJNVLE-ULQDDVLXSA-N 2 0 357.542 3.190 20 0 FGADRP C[C@H](C[C@H](C)[NH3+])[NH2+][C@@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1 ZINC000422887478 500310590 /nfs/dbraw/zinc/31/05/90/500310590.db2.gz YUPMIFXEUNTIQN-ZENOOKHLSA-N 2 0 357.420 3.084 20 0 FGADRP COc1cccc(-c2nc(C[NH+]3CCC([C@@H](C)[NH3+])CC3)cs2)c1OC ZINC000430939828 500310626 /nfs/dbraw/zinc/31/06/26/500310626.db2.gz HTMAPYWNHXISTL-CYBMUJFWSA-N 2 0 361.511 3.387 20 0 FGADRP C[C@@H]([NH3+])C1CC[NH+](CC(=O)N[C@@H](c2ccc(F)cc2)C2CCCC2)CC1 ZINC000430945906 500311727 /nfs/dbraw/zinc/31/17/27/500311727.db2.gz YNWYHYNEWYZESG-QVKFZJNVSA-N 2 0 361.505 3.232 20 0 FGADRP C[C@@H](C[C@@H]1COCCN1)[NH2+]Cc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000422892053 500311659 /nfs/dbraw/zinc/31/16/59/500311659.db2.gz LWSXYYQAJKBPSC-LMVRJCEZSA-N 2 0 359.558 3.021 20 0 FGADRP CC[NH+](CC)CCN(Cc1cccs1)C(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000418726723 500313353 /nfs/dbraw/zinc/31/33/53/500313353.db2.gz PVSOCJGHZIAXNH-IAGOWNOFSA-N 2 0 366.575 3.119 20 0 FGADRP C[NH2+]CC1CC[NH+](CC(=O)N[C@@H](CC(C)(C)C)c2ccc(F)cc2)CC1 ZINC000430964869 500314105 /nfs/dbraw/zinc/31/41/05/500314105.db2.gz JEIFKNWVKZDNPZ-IBGZPJMESA-N 2 0 363.521 3.351 20 0 FGADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+][C@H]1CCCN(Cc2c(F)cccc2F)C1 ZINC000422905398 500314599 /nfs/dbraw/zinc/31/45/99/500314599.db2.gz IGPVWGXKXWTYOP-ZJBJCVSYSA-N 2 0 373.491 3.477 20 0 FGADRP COc1cccc(N2CC[C@H](C[NH2+][C@@H](Cc3ccccc3)[C@H](C)[NH3+])C2)c1 ZINC000422907340 500314704 /nfs/dbraw/zinc/31/47/04/500314704.db2.gz XAXVPJKMFPAYOS-KPLVRAHFSA-N 2 0 353.510 3.070 20 0 FGADRP CCOC(=O)C1([C@@H](C)[NH2+][C@@H](C)c2c(F)cccc2Cl)CC[NH2+]CC1 ZINC000422922041 500316977 /nfs/dbraw/zinc/31/69/77/500316977.db2.gz RQBWYDONALSHHE-QWHCGFSZSA-N 2 0 356.869 3.451 20 0 FGADRP CCOC(=O)COc1ccc(CC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)cc1 ZINC000422922442 500317011 /nfs/dbraw/zinc/31/70/11/500317011.db2.gz STBFNJGHXVEPIJ-PWRODBHTSA-N 2 0 374.525 3.071 20 0 FGADRP CC[C@H](C[NH2+][C@@H]1CCOC[C@H]1[C@@H](C)[NH3+])Oc1ccccc1C(F)(F)F ZINC000422920524 500317082 /nfs/dbraw/zinc/31/70/82/500317082.db2.gz MWCKRSTYWMPKRA-HGTKMLMNSA-N 2 0 360.420 3.205 20 0 FGADRP CCOC(=O)C1([C@@H](C)[NH2+]CCOc2ccc(C(C)C)cc2)CC[NH2+]CC1 ZINC000422934039 500318860 /nfs/dbraw/zinc/31/88/60/500318860.db2.gz CBUKAPKKUKNDBG-QGZVFWFLSA-N 2 0 362.514 3.100 20 0 FGADRP C[C@H](C[C@H](C)[NH3+])[NH2+]CC1(c2cccc(Br)c2)CCOCC1 ZINC000422934734 500319314 /nfs/dbraw/zinc/31/93/14/500319314.db2.gz DAFPPAFJENLFOJ-UONOGXRCSA-N 2 0 355.320 3.213 20 0 FGADRP c1ccc(N2CC[NH+](CCCC[NH2+][C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)CC2)cc1 ZINC000422938578 500320342 /nfs/dbraw/zinc/32/03/42/500320342.db2.gz HFLVAIDKOZRYNN-ZLNRFVROSA-N 3 0 370.585 3.099 20 0 FGADRP CCOC(=O)C1([C@@H](C)[NH2+]C2(c3cccc(Cl)c3)CC2)CC[NH2+]CC1 ZINC000422939509 500320480 /nfs/dbraw/zinc/32/04/80/500320480.db2.gz FYNSWIZYLDKXEG-CQSZACIVSA-N 2 0 350.890 3.240 20 0 FGADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]C[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000422943937 500321006 /nfs/dbraw/zinc/32/10/06/500321006.db2.gz LRQBWOBEULDYNP-RVKKMQEKSA-N 2 0 366.347 3.253 20 0 FGADRP C[C@@H]([NH2+]C[C@@H]1CCN(c2ccc(Br)cc2)C1)[C@H]1CCC[NH2+]1 ZINC000422942056 500321017 /nfs/dbraw/zinc/32/10/17/500321017.db2.gz JYOUBAGZYGRITE-JKIFEVAISA-N 2 0 352.320 3.006 20 0 FGADRP C[C@H](NC(=O)[C@H](C)[NH+]1CCC2(CC[NH2+]C2)CC1)c1ccc2c(c1)CCCC2 ZINC000431012965 500322517 /nfs/dbraw/zinc/32/25/17/500322517.db2.gz HGJXARHTXQSIGT-ROUUACIJSA-N 2 0 369.553 3.207 20 0 FGADRP C[C@@H]([NH2+]CC1(c2cccc(Br)c2)CCOCC1)[C@H]1CCC[NH2+]1 ZINC000422949622 500322579 /nfs/dbraw/zinc/32/25/79/500322579.db2.gz UPAMOBNPFXKCDY-RHSMWYFYSA-N 2 0 367.331 3.227 20 0 FGADRP CCc1noc(-c2ccc(CC[NH2+][C@@H](C)c3ccc(C[NH3+])nc3C)cc2)n1 ZINC000422959315 500323881 /nfs/dbraw/zinc/32/38/81/500323881.db2.gz RMKLFSZPHHRUFR-AWEZNQCLSA-N 2 0 365.481 3.354 20 0 FGADRP C[C@H](NC(=O)[C@H](C)[NH+]1CCC2(CC[NH2+]C2)CC1)c1cccc2ccccc21 ZINC000431040943 500327645 /nfs/dbraw/zinc/32/76/45/500327645.db2.gz PVTFRVTVYSUHQO-ROUUACIJSA-N 2 0 365.521 3.481 20 0 FGADRP C[C@H](C[NH2+][C@H](Cc1ccccc1)[C@H](C)[NH3+])c1nc(-c2ccccc2)no1 ZINC000423016574 500331065 /nfs/dbraw/zinc/33/10/65/500331065.db2.gz UAHFHVJFTDVXQQ-JTDSTZFVSA-N 2 0 350.466 3.388 20 0 FGADRP [NH3+][C@@H]1C[C@H]([NH2+]CCc2ccc(OCC[NH+]3CCCC3)cc2)c2ccccc21 ZINC000423020086 500331697 /nfs/dbraw/zinc/33/16/97/500331697.db2.gz YQTPSKAALGTHBM-PKTZIBPZSA-N 3 0 365.521 3.438 20 0 FGADRP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@@H]2[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000423024210 500332335 /nfs/dbraw/zinc/33/23/35/500332335.db2.gz IRKWHHKMGOWCOU-FFZBTMFNSA-N 2 0 354.494 3.180 20 0 FGADRP Fc1ccc(CC[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c(F)c1F ZINC000423028084 500333230 /nfs/dbraw/zinc/33/32/30/500333230.db2.gz FTHQDUFGRXIGLY-OXJNMPFZSA-N 2 0 362.395 3.492 20 0 FGADRP CCN1CC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000423034945 500333233 /nfs/dbraw/zinc/33/32/33/500333233.db2.gz QVHRFFXYSARMEN-BCICMVERSA-N 2 0 353.432 3.112 20 0 FGADRP C[C@@H]1C[C@H](N(C)C(=O)[C@@H]2CCC[NH+]2C2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000426889249 500333749 /nfs/dbraw/zinc/33/37/49/500333749.db2.gz LWKCIJHLLBQGDU-UIFIKXQLSA-N 2 0 355.526 3.125 20 0 FGADRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CCc1ccc(OCC(F)(F)F)nc1 ZINC000423044381 500334184 /nfs/dbraw/zinc/33/41/84/500334184.db2.gz AKWANZXEGIECGO-HOCLYGCPSA-N 2 0 359.436 3.466 20 0 FGADRP [NH3+]CC1CCC([NH2+][C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)CC1 ZINC000423045508 500334455 /nfs/dbraw/zinc/33/44/55/500334455.db2.gz SKMIPZFXKLUXTG-PPUFBPAQSA-N 2 0 356.297 3.206 20 0 FGADRP C[C@@H]([NH2+]C1CCN(C(=O)c2ccccc2C(F)(F)F)CC1)[C@H]1CCC[NH2+]1 ZINC000423056288 500336257 /nfs/dbraw/zinc/33/62/57/500336257.db2.gz XGKCMHVVARUMOZ-CXAGYDPISA-N 2 0 369.431 3.040 20 0 FGADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]CC1(c2cc(F)cc(C(F)(F)F)c2)CC1 ZINC000423058722 500336983 /nfs/dbraw/zinc/33/69/83/500336983.db2.gz KGPNTHAQXZJJMB-XZJROXQQSA-N 2 0 360.395 3.218 20 0 FGADRP OC[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1)Cc1ccc(F)c(F)c1 ZINC000423079592 500339381 /nfs/dbraw/zinc/33/93/81/500339381.db2.gz QYWFRQIFRPHXOD-CPLUKWAASA-N 2 0 352.469 3.016 20 0 FGADRP CCOC(=O)C1([C@@H](C)[NH2+][C@H]2C[C@H](c3cccc(Cl)c3)C2)CC[NH2+]CC1 ZINC000423095617 500341710 /nfs/dbraw/zinc/34/17/10/500341710.db2.gz MRKFBTDNJOHZAW-QGPMSJSTSA-N 2 0 364.917 3.497 20 0 FGADRP C[C@@H]([NH2+]C[C@@H](c1ccc(Cl)cc1)N(C)CCC(F)(F)F)C1C[NH2+]C1 ZINC000423106160 500343389 /nfs/dbraw/zinc/34/33/89/500343389.db2.gz OKYMCYHNKXFATO-WBMJQRKESA-N 2 0 363.855 3.463 20 0 FGADRP Clc1ccc(N2CCOCC2)c(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)c1 ZINC000423110891 500343931 /nfs/dbraw/zinc/34/39/31/500343931.db2.gz WDJWRFYSULMBNL-GUDVDZBRSA-N 2 0 363.933 3.187 20 0 FGADRP Cc1cccc2c1OC[C@H]([NH2+][C@H]1C[C@@]3(CC[NH2+]C3)Oc3ccccc31)C2 ZINC000423131652 500346482 /nfs/dbraw/zinc/34/64/82/500346482.db2.gz BGTHVUWXBUGYTF-ZWCUEREDSA-N 2 0 350.462 3.144 20 0 FGADRP CC(C)OCCOC1CC[NH+]([C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000423154081 500349348 /nfs/dbraw/zinc/34/93/48/500349348.db2.gz IQXNSLFVRIAATG-IFMALSPDSA-N 2 0 374.525 3.148 20 0 FGADRP C[C@@H]([NH2+]C1CC[NH2+]CC1)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000423180690 500351795 /nfs/dbraw/zinc/35/17/95/500351795.db2.gz IKYJTVGZQZWRRX-MRXNPFEDSA-N 2 0 350.466 3.316 20 0 FGADRP C[C@@H]([NH2+]C1CCN(Cc2cccc(Br)c2)CC1)[C@H]1CCC[NH2+]1 ZINC000423175825 500352076 /nfs/dbraw/zinc/35/20/76/500352076.db2.gz FGJQQSJDYVVARO-RDTXWAMCSA-N 2 0 366.347 3.144 20 0 FGADRP COc1ccc([C@@H]([NH2+]CCCN2CC[NH2+]CC2)c2ccccc2Cl)cc1 ZINC000423195213 500354085 /nfs/dbraw/zinc/35/40/85/500354085.db2.gz YWEZJCIEZZFANA-OAQYLSRUSA-N 2 0 373.928 3.323 20 0 FGADRP C[C@H](CCc1ccc(I)cc1)[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000423218783 500356133 /nfs/dbraw/zinc/35/61/33/500356133.db2.gz WBJFOMHALRYLTK-UKRRQHHQSA-N 2 0 372.294 3.202 20 0 FGADRP COc1ccc(Cc2nc(C)c([C@@H](C)[NH2+]CC[C@H](C)[NH3+])s2)cc1OC ZINC000423227478 500356264 /nfs/dbraw/zinc/35/62/64/500356264.db2.gz VYYNQNGEPMGJKK-QWHCGFSZSA-N 2 0 363.527 3.447 20 0 FGADRP C[C@H]([NH2+][C@H]1CCCC[C@H]1C[NH3+])c1ccccc1I ZINC000423273890 500361381 /nfs/dbraw/zinc/36/13/81/500361381.db2.gz LBMGCJFZPRQJNO-HUBLWGQQSA-N 2 0 358.267 3.459 20 0 FGADRP CC[C@H](CNC(=O)c1ccc([C@H](C)[NH3+])cc1)[N@@H+]1CCc2ccccc2C1 ZINC000423336793 500365298 /nfs/dbraw/zinc/36/52/98/500365298.db2.gz VDIORTDBBYNOAF-HRAATJIYSA-N 2 0 351.494 3.273 20 0 FGADRP C[C@H]([NH3+])c1ccc(C(=O)NC[C@@H]2CCCC[N@@H+]2Cc2ccccc2)cc1 ZINC000423353590 500366910 /nfs/dbraw/zinc/36/69/10/500366910.db2.gz LYMWEZDDMUJSGB-UWJYYQICSA-N 2 0 351.494 3.491 20 0 FGADRP CC(C)(C)[NH+]1CCC(N[C@H]2C[NH2+]CC[C@@H]2c2ccc(F)c(F)c2)CC1 ZINC000423360508 500367560 /nfs/dbraw/zinc/36/75/60/500367560.db2.gz FRHGRDVEBAFTJU-APWZRJJASA-N 2 0 351.485 3.263 20 0 FGADRP C[C@@H]([NH2+]Cc1ccc2c(c1)C[NH2+]C2)c1ccc(OCc2nccn2C)cc1 ZINC000423365281 500367734 /nfs/dbraw/zinc/36/77/34/500367734.db2.gz AZZVVMMHGJMZMA-MRXNPFEDSA-N 2 0 362.477 3.453 20 0 FGADRP C[C@@H]([NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc(-c2ccccc2)o1 ZINC000423376462 500369118 /nfs/dbraw/zinc/36/91/18/500369118.db2.gz DRNPODGMLMJQDI-KDOFPFPSSA-N 2 0 367.415 3.433 20 0 FGADRP COCC1(C[NH2+][C@@H]2CCCOc3c(Cl)cc(C)cc32)CC[NH2+]CC1 ZINC000423403002 500371324 /nfs/dbraw/zinc/37/13/24/500371324.db2.gz HLNMYFYLEDAJEJ-QGZVFWFLSA-N 2 0 352.906 3.468 20 0 FGADRP COC[C@]1(CN[C@@H]2CCc3cc(Br)cc(C)c32)CCC[NH2+]1 ZINC000423416908 500373217 /nfs/dbraw/zinc/37/32/17/500373217.db2.gz RLYYXHGPTDRGSN-NVXWUHKLSA-N 2 0 353.304 3.103 20 0 FGADRP C[C@@H]([NH3+])c1ccc(C(=O)NCC2([NH+]3CCSCC3)CCCCC2)cc1 ZINC000423428312 500373843 /nfs/dbraw/zinc/37/38/43/500373843.db2.gz OJYBQNTXNVJHKU-MRXNPFEDSA-N 2 0 361.555 3.188 20 0 FGADRP Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@@H]2[NH2+][C@@H](C)CCCC[NH3+])cc1 ZINC000423437405 500375061 /nfs/dbraw/zinc/37/50/61/500375061.db2.gz QKZWNXLSQPQZCK-YTQUADARSA-N 2 0 352.544 3.187 20 0 FGADRP COc1cc(C)c(C[C@H](C)[NH2+]C[C@@H]2NCCc3ccccc32)cc1OC ZINC000423444569 500375396 /nfs/dbraw/zinc/37/53/96/500375396.db2.gz XXONOCZOTOIFJG-JXFKEZNVSA-N 2 0 354.494 3.420 20 0 FGADRP CC[C@H]([NH2+][C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)c1cccc(Cl)c1F ZINC000423455327 500376024 /nfs/dbraw/zinc/37/60/24/500376024.db2.gz MLSGJLIULXUWQL-FCEWJHQRSA-N 2 0 367.896 3.167 20 0 FGADRP C[C@@H]([NH2+][C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)c1cccc(Cl)c1Cl ZINC000423455725 500376155 /nfs/dbraw/zinc/37/61/55/500376155.db2.gz NBIQKEZJKPNCMW-MZKGEVEHSA-N 2 0 370.324 3.291 20 0 FGADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)C[C@@H]2CCC[NH2+]CC2)cc1 ZINC000427274793 500376476 /nfs/dbraw/zinc/37/64/76/500376476.db2.gz NROGTGJLDUIEBF-RBUKOAKNSA-N 2 0 357.542 3.457 20 0 FGADRP Clc1cc2c(c(Br)c1)CC[C@@H]2NC[C@@H]1C[NH2+]CCCO1 ZINC000423485283 500377820 /nfs/dbraw/zinc/37/78/20/500377820.db2.gz AYSWLYJZSADYBW-NHYWBVRUSA-N 2 0 359.695 3.058 20 0 FGADRP COc1cc([C@H](C)[NH2+]C2CCC([NH+]3CCNCC3)CC2)ccc1SC ZINC000423509694 500380367 /nfs/dbraw/zinc/38/03/67/500380367.db2.gz LWVNDCKCVLRPFU-ZLPCBKJTSA-N 2 0 363.571 3.284 20 0 FGADRP COc1ccc([C@H](Cc2ccncc2)[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000423543583 500383567 /nfs/dbraw/zinc/38/35/67/500383567.db2.gz NIFQXYJRLOMOMK-DYQZNNLLSA-N 2 0 351.494 3.352 20 0 FGADRP C[C@@H]([NH2+]C1CCN(Cc2ccccn2)CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000419696436 500390366 /nfs/dbraw/zinc/39/03/66/500390366.db2.gz VEMHSOYASDBARV-RTBURBONSA-N 2 0 356.558 3.289 20 0 FGADRP CC1(C(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)CC[NH+](Cc2ccccc2)CC1 ZINC000423666190 500392946 /nfs/dbraw/zinc/39/29/46/500392946.db2.gz RQJBWUBKVCLOFL-WGSAOQKQSA-N 2 0 357.542 3.170 20 0 FGADRP [NH3+][C@@H]1CCCC[C@H]1CC(=O)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000423742592 500398098 /nfs/dbraw/zinc/39/80/98/500398098.db2.gz JCEYSQQUKRKNPB-LEWJYISDSA-N 2 0 357.542 3.061 20 0 FGADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)[C@@H](C)[C@H]([NH3+])c1ccccc1 ZINC000423738192 500398129 /nfs/dbraw/zinc/39/81/29/500398129.db2.gz FURQESHPBUUWDT-UWJYYQICSA-N 2 0 353.510 3.433 20 0 FGADRP COc1ccc2c(c1F)CC[C@H]2[NH2+]Cc1ccc(CN2CCOCC2)cc1 ZINC000579519202 506193309 /nfs/dbraw/zinc/19/33/09/506193309.db2.gz AMUBOBAJTCVWHP-HXUWFJFHSA-N 2 0 370.468 3.444 20 0 FGADRP C[C@H](CC(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)cc1)C1CC[NH2+]CC1 ZINC000423774695 500400862 /nfs/dbraw/zinc/40/08/62/500400862.db2.gz OIKOUKOXKZTCFP-RDTXWAMCSA-N 2 0 351.922 3.085 20 0 FGADRP CCC[NH+]1CCC(NC(=O)N[C@@H]2CCCC[C@@H]2C[NH+](CC)CC)CC1 ZINC000431661559 500404589 /nfs/dbraw/zinc/40/45/89/500404589.db2.gz AVZZOBNBVDNPHN-IEBWSBKVSA-N 2 0 352.567 3.061 20 0 FGADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)c1cccc(C[N@H+](C)Cc2ccccc2)c1 ZINC000427598041 500410295 /nfs/dbraw/zinc/41/02/95/500410295.db2.gz AUMSTUHIVSQCAA-UTKZUKDTSA-N 2 0 351.494 3.046 20 0 FGADRP C[NH+](C)[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1)c1ccc(F)cc1 ZINC000431731664 500416642 /nfs/dbraw/zinc/41/66/42/500416642.db2.gz JIYKHFXOKXJRLK-PMACEKPBSA-N 2 0 361.505 3.342 20 0 FGADRP COc1ccc([C@@H](C[NH+]2CCCC2)NC(=O)c2ccc([C@@H](C)[NH3+])cc2)cc1 ZINC000423897071 500417404 /nfs/dbraw/zinc/41/74/04/500417404.db2.gz OONWWVWYUKDWTB-IIBYNOLFSA-N 2 0 367.493 3.282 20 0 FGADRP Cc1cc(NC(=O)COC2CCC([NH3+])CC2)ccc1Oc1ccncc1 ZINC000423912917 500418320 /nfs/dbraw/zinc/41/83/20/500418320.db2.gz UHFHBWNIRVTGJN-UHFFFAOYSA-N 2 0 355.438 3.407 20 0 FGADRP C[N@@H+]1CCCC[C@H]1CCC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000431803270 500426825 /nfs/dbraw/zinc/42/68/25/500426825.db2.gz XJOMBJKKXPIBAW-IBGZPJMESA-N 2 0 361.555 3.438 20 0 FGADRP C[NH+](C)[C@H](CC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)c1ccccc1 ZINC000431845268 500433057 /nfs/dbraw/zinc/43/30/57/500433057.db2.gz NSWJGPIARHQCKU-HLAWJBBLSA-N 2 0 355.526 3.155 20 0 FGADRP CC[NH+](CC)C[C@H]1CCCC[C@H]1NC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000431870412 500436956 /nfs/dbraw/zinc/43/69/56/500436956.db2.gz MXNASTOWFXSLSD-IEBWSBKVSA-N 2 0 352.567 3.059 20 0 FGADRP C[C@H]1SCC[N@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)[C@@H]1c1ccccc1 ZINC000420309904 500439119 /nfs/dbraw/zinc/43/91/19/500439119.db2.gz UIVMUUNRERRXKB-SEVLPDGMSA-N 2 0 356.535 3.096 20 0 FGADRP COc1ccc([C@@H](C[NH3+])C[N@H+](C)[C@H]2CCCN(c3ccccc3)C2)cc1 ZINC000420317825 500441132 /nfs/dbraw/zinc/44/11/32/500441132.db2.gz NGHGNKGDWREZMC-FPOVZHCZSA-N 2 0 353.510 3.338 20 0 FGADRP CCOc1ccc([C@@H]2CCC[N@@H+]2C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)cc1 ZINC000420324579 500441838 /nfs/dbraw/zinc/44/18/38/500441838.db2.gz VRNOFYDACCVYJW-FKBYEOEOSA-N 2 0 354.494 3.153 20 0 FGADRP Cc1cc(C)cc(C(=O)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)c1 ZINC000424042373 500442173 /nfs/dbraw/zinc/44/21/73/500442173.db2.gz WTCOTGSUEXEWDR-UHFFFAOYSA-N 2 0 351.494 3.027 20 0 FGADRP C[C@@H](C(=O)Nc1ccc(Cl)c(Cl)c1)[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420330879 500442344 /nfs/dbraw/zinc/44/23/44/500442344.db2.gz IHEPZQMFTZXLCE-RWMBFGLXSA-N 2 0 356.297 3.252 20 0 FGADRP O=C(CC[NH+]1CCC([C@H]2CCC[NH2+]2)CC1)Nc1cccc(C(F)(F)F)c1 ZINC000420333728 500443158 /nfs/dbraw/zinc/44/31/58/500443158.db2.gz IDIAQJUQLCRJPK-QGZVFWFLSA-N 2 0 369.431 3.498 20 0 FGADRP C[C@H](NC(=O)C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1)c1ccc2c(c1)CCCC2 ZINC000420337849 500444114 /nfs/dbraw/zinc/44/41/14/500444114.db2.gz KFGZQHHSGGEYET-JTSKRJEESA-N 2 0 369.553 3.207 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)CC[C@@H]1CCCC[N@@H+]1C)Cc1ccccc1 ZINC000431926185 500444188 /nfs/dbraw/zinc/44/41/88/500444188.db2.gz VJIUXNURPYEVIT-LEWJYISDSA-N 2 0 359.558 3.320 20 0 FGADRP O=C(CC[NH+]1CCC([C@H]2CCC[NH2+]2)CC1)N[C@@H]1CCCc2ccccc21 ZINC000420344942 500445270 /nfs/dbraw/zinc/44/52/70/500445270.db2.gz VCFRFFNXVVLNQH-NHCUHLMSSA-N 2 0 355.526 3.034 20 0 FGADRP C[C@@H](NC(=O)C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1)c1cccc2ccccc21 ZINC000420343870 500445652 /nfs/dbraw/zinc/44/56/52/500445652.db2.gz RPVVPQLKBYAJLU-VGSWGCGISA-N 2 0 365.521 3.481 20 0 FGADRP O=C(CC[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)Nc1ccc(Cl)cc1F ZINC000420346937 500446281 /nfs/dbraw/zinc/44/62/81/500446281.db2.gz ZMPMSLODWYFDEN-KGLIPLIRSA-N 2 0 353.869 3.129 20 0 FGADRP [NH3+][C@@H]1CCO[C@H](C2CC[NH+](CCCOc3cccc(Cl)c3)CC2)C1 ZINC000420381990 500451803 /nfs/dbraw/zinc/45/18/03/500451803.db2.gz DBDPBYLGRYZZPP-MJGOQNOKSA-N 2 0 352.906 3.327 20 0 FGADRP [NH3+][C@@H]1CCO[C@H](C2CC[NH+](CCOc3cccc4ccccc43)CC2)C1 ZINC000420381340 500451920 /nfs/dbraw/zinc/45/19/20/500451920.db2.gz CITMPYOVZCXORH-KNQAVFIVSA-N 2 0 354.494 3.437 20 0 FGADRP CSc1ccc(OCC[NH+]2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)cc1 ZINC000420391109 500454263 /nfs/dbraw/zinc/45/42/63/500454263.db2.gz OARDNSUQZOWMND-VQIMIIECSA-N 2 0 350.528 3.006 20 0 FGADRP O=C(CC[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1)Nc1ccc(Cl)cc1F ZINC000420408236 500456909 /nfs/dbraw/zinc/45/69/09/500456909.db2.gz VWUJFIRJYDZWIE-GUYCJALGSA-N 2 0 353.869 3.272 20 0 FGADRP CC(C)[N@H+](C)Cc1ccccc1C[NH2+]C[C@@H](O)COc1ccccc1F ZINC000570564357 506196949 /nfs/dbraw/zinc/19/69/49/506196949.db2.gz NCUOWNUYEWYZCR-LJQANCHMSA-N 2 0 360.473 3.195 20 0 FGADRP CO[C@H]1C[C@H]2C[C@@H]([NH2+]CCCN3CC[N@H+](C)C[C@@H]3c3ccccc3)C[C@H]2C1 ZINC000424275150 500479877 /nfs/dbraw/zinc/47/98/77/500479877.db2.gz ZVVCOZQLYAMTKX-ISBRNDMJSA-N 2 0 371.569 3.158 20 0 FGADRP C[C@@H]1CC2(C[N@@H+]1CCOc1cccc(Br)c1)CC[NH2+]CC2 ZINC000424293642 500482100 /nfs/dbraw/zinc/48/21/00/500482100.db2.gz PJQJWLKLSNDKDU-CQSZACIVSA-N 2 0 353.304 3.292 20 0 FGADRP C[C@@H]1CC2(C[N@@H+]1CC(=O)Nc1ccccc1C(F)(F)F)CC[NH2+]CC2 ZINC000424297514 500483566 /nfs/dbraw/zinc/48/35/66/500483566.db2.gz SUSXLQOTKLDLQI-CYBMUJFWSA-N 2 0 355.404 3.108 20 0 FGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]Cc2ccc(F)c(Cl)c2Cl)CC1 ZINC000432244647 500487934 /nfs/dbraw/zinc/48/79/34/500487934.db2.gz CWCKXLBRYKLDMJ-ZDUSSCGKSA-N 2 0 362.320 3.496 20 0 FGADRP CO[C@H]1C[C@H]2C[C@H]([NH2+]Cc3ccc(OC4CC[NH+](C)CC4)cc3)C[C@H]2C1 ZINC000424345223 500489415 /nfs/dbraw/zinc/48/94/15/500489415.db2.gz HVZKJMWTPQFPNJ-CMQMCVIQSA-N 2 0 358.526 3.453 20 0 FGADRP CC(C)O[C@H](C[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1)c1ccccc1 ZINC000428283949 500491619 /nfs/dbraw/zinc/49/16/19/500491619.db2.gz CJIMOGOEZVZOAU-ILWGZMRPSA-N 2 0 359.558 3.111 20 0 FGADRP C[C@@H]1CC2(C[N@@H+]1Cc1cn(-c3ccc(F)cc3Cl)nn1)CC[NH2+]CC2 ZINC000424380129 500494347 /nfs/dbraw/zinc/49/43/47/500494347.db2.gz PLEBHWXCQNGTIF-CYBMUJFWSA-N 2 0 363.868 3.024 20 0 FGADRP Cc1ccccc1C[NH+]1CCC(NC(=O)NC2CCC([NH+](C)C)CC2)CC1 ZINC000420777093 500498315 /nfs/dbraw/zinc/49/83/15/500498315.db2.gz GSAXZWUIMBFWFH-UHFFFAOYSA-N 2 0 372.557 3.131 20 0 FGADRP Cc1ccc([C@H](CNC(=O)NCc2cc(C)nc(C)c2)[NH+]2CCCC2)o1 ZINC000420804435 500505514 /nfs/dbraw/zinc/50/55/14/500505514.db2.gz UBUOFEZFQODJNK-SFHVURJKSA-N 2 0 356.470 3.236 20 0 FGADRP CC[NH+](CC)CCSCC(=O)N(C)C(C)(C)C[NH+]1CCCCCC1 ZINC000428422328 500508080 /nfs/dbraw/zinc/50/80/80/500508080.db2.gz MDWGVFRPIWZKMF-UHFFFAOYSA-N 2 0 357.608 3.174 20 0 FGADRP OCC[C@]1(C[NH2+][C@@H]2CCCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CCOC1 ZINC000428462382 500513187 /nfs/dbraw/zinc/51/31/87/500513187.db2.gz SVDBSEJMRWDDMZ-WBADGQHESA-N 2 0 372.553 3.056 20 0 FGADRP C[NH+](C)CCOc1cnccc1C[NH2+]Cc1cccc(-c2ccccn2)c1 ZINC000573479337 506201085 /nfs/dbraw/zinc/20/10/85/506201085.db2.gz UBNMRGXVQWBXOT-UHFFFAOYSA-N 2 0 362.477 3.374 20 0 FGADRP C[NH+](C)CCCC1CC[NH+](Cc2ccc(CN3CCOCC3)cc2)CC1 ZINC000420948880 500538586 /nfs/dbraw/zinc/53/85/86/500538586.db2.gz PXBLKZNNYOYNLV-UHFFFAOYSA-N 2 0 359.558 3.073 20 0 FGADRP c1cc(CN2CCOCC2)cc(C[N@@H+]2CC3(CCOCC3)[C@@H]3CCC[C@@H]32)c1 ZINC000420956984 500540218 /nfs/dbraw/zinc/54/02/18/500540218.db2.gz BGEUUNDSTSUZSZ-YADHBBJMSA-N 2 0 370.537 3.300 20 0 FGADRP CC[NH+]1CCC(N2CCC[N@H+](CC[C@H](C)OCc3ccccc3)CC2)CC1 ZINC000420975932 500545204 /nfs/dbraw/zinc/54/52/04/500545204.db2.gz GIYMJRGMBOHZJA-NRFANRHFSA-N 2 0 373.585 3.474 20 0 FGADRP CC[NH+]1CCC(N2CCC[N@H+](Cc3ccc4ncccc4c3)CC2)CC1 ZINC000420976835 500545615 /nfs/dbraw/zinc/54/56/15/500545615.db2.gz HHFYKJNLCUFNPU-UHFFFAOYSA-N 2 0 352.526 3.227 20 0 FGADRP C[NH+](C)CCOc1cc(C[NH2+]Cc2ccc(C(F)(F)F)s2)ccn1 ZINC000428850143 500565833 /nfs/dbraw/zinc/56/58/33/500565833.db2.gz LPTSZFXXISFFFB-UHFFFAOYSA-N 2 0 359.417 3.392 20 0 FGADRP Cc1ccc(NC(=O)CC[NH+]2CCC(CCC[NH+]3CCCC3)CC2)nc1 ZINC000447304327 500588513 /nfs/dbraw/zinc/58/85/13/500588513.db2.gz KRJQMGQAWKIFFS-UHFFFAOYSA-N 2 0 358.530 3.307 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)c1sccc1C[NH+](C)C)Cc1ccccc1 ZINC000447429099 500605111 /nfs/dbraw/zinc/60/51/11/500605111.db2.gz UJYNJIQSGVWDDD-IBGZPJMESA-N 2 0 373.566 3.493 20 0 FGADRP OCC[NH+]1CCC(C[NH2+][C@H](Cc2ccc(F)cc2)c2ccccc2)CC1 ZINC000447532289 500618358 /nfs/dbraw/zinc/61/83/58/500618358.db2.gz VRFZZGWWSFPEMH-JOCHJYFZSA-N 2 0 356.485 3.403 20 0 FGADRP C[C@@H](c1ccc(Cl)cc1)[C@H](C)N(C)C(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433116883 500629395 /nfs/dbraw/zinc/62/93/95/500629395.db2.gz NFUIIVDDZHUCNF-CVEARBPZSA-N 2 0 365.949 3.494 20 0 FGADRP [NH3+]C1CC[NH+](CCCC(=O)N[C@H](c2ccc(F)cc2)C2CCCC2)CC1 ZINC000433120561 500630781 /nfs/dbraw/zinc/63/07/81/500630781.db2.gz ZHOPTEZRXUKGRI-NRFANRHFSA-N 2 0 361.505 3.377 20 0 FGADRP C[C@H]1CSc2ccc(Br)cc2[C@H]1[NH2+]CCOCC[NH+](C)C ZINC000447597711 500632039 /nfs/dbraw/zinc/63/20/39/500632039.db2.gz GKJFYCGSCYXQIU-LRDDRELGSA-N 2 0 373.360 3.400 20 0 FGADRP C[C@H](NC(=O)CCC[NH+]1CCC([NH3+])CC1)c1cccc(Cl)c1Cl ZINC000433145660 500634414 /nfs/dbraw/zinc/63/44/14/500634414.db2.gz IPEIDTIFUUJDHH-LBPRGKRZSA-N 2 0 358.313 3.374 20 0 FGADRP C[C@@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)c1cccc(Br)c1 ZINC000442880699 500638580 /nfs/dbraw/zinc/63/85/80/500638580.db2.gz XVSQVHVCTYFCMD-CQSZACIVSA-N 2 0 354.336 3.126 20 0 FGADRP [NH3+]CC[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2OC[C@@H]2CCCO2)C1 ZINC000442933050 500649102 /nfs/dbraw/zinc/64/91/02/500649102.db2.gz ZLVIAUATZOFEIH-QAPCUYQASA-N 2 0 352.906 3.459 20 0 FGADRP [NH3+]CC[C@H]1CCC[N@H+](CC(=O)Nc2ccc(OCc3ccccc3)cc2)C1 ZINC000443056836 500670288 /nfs/dbraw/zinc/67/02/88/500670288.db2.gz DJPYBNXMJSCOLI-GOSISDBHSA-N 2 0 367.493 3.265 20 0 FGADRP C[NH+](C)CCOc1ccc(CC[NH2+]Cc2nc(-c3ccccc3)c[nH]2)cc1 ZINC000447839959 500674567 /nfs/dbraw/zinc/67/45/67/500674567.db2.gz OBOKFFWGNSQXOZ-UHFFFAOYSA-N 2 0 364.493 3.349 20 0 FGADRP Cc1ccc([C@@H](CNC(=O)c2ccccc2C[NH+](C)C)[NH+]2CCCC2)o1 ZINC000433354316 500679971 /nfs/dbraw/zinc/67/99/71/500679971.db2.gz NVYYKIGSXXVLEB-LJQANCHMSA-N 2 0 355.482 3.217 20 0 FGADRP C[C@@H](c1nc(-c2ccnc(OCC[NH+](C)C)c2)no1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000443203551 500696013 /nfs/dbraw/zinc/69/60/13/500696013.db2.gz MDKMYBDCPHBOOI-ZNMIVQPWSA-N 2 0 359.474 3.006 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)c1ccsc1 ZINC000443232187 500699164 /nfs/dbraw/zinc/69/91/64/500699164.db2.gz BAKJBCHQSMUBPQ-DOTOQJQBSA-N 2 0 368.591 3.407 20 0 FGADRP CC[NH+](CC)Cc1cccc(CNC(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)c1 ZINC000433555518 500711016 /nfs/dbraw/zinc/71/10/16/500711016.db2.gz UUQVFYLYLQNWLX-NRFANRHFSA-N 2 0 372.557 3.345 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc2ccoc2c1 ZINC000443376311 500715894 /nfs/dbraw/zinc/71/58/94/500715894.db2.gz WMBWZTZOUPRBHH-GOSISDBHSA-N 2 0 358.486 3.313 20 0 FGADRP C[C@@H](Cc1ccccc1F)[NH2+]Cc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000438090713 500736634 /nfs/dbraw/zinc/73/66/34/500736634.db2.gz VNUGJKWNGHZQST-SFHVURJKSA-N 2 0 355.501 3.294 20 0 FGADRP C[C@H](NC(=O)C[NH+]1CCC(CCC[NH+]2CCCC2)CC1)c1ccccc1 ZINC000443607124 500744698 /nfs/dbraw/zinc/74/46/98/500744698.db2.gz SRSYNKUBAZGOEI-IBGZPJMESA-N 2 0 357.542 3.452 20 0 FGADRP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](C[C@@H](O)Cc2ccccc2C(F)(F)F)C1 ZINC000443619483 500745836 /nfs/dbraw/zinc/74/58/36/500745836.db2.gz QQMGVEFISVVENE-WMZOPIPTSA-N 2 0 370.459 3.273 20 0 FGADRP C[C@@H]1OCC[C@@]12CN(CC(C)(C)C[N@H+](C)Cc1ccccc1)C[C@@H](C)O2 ZINC000448369920 500754769 /nfs/dbraw/zinc/75/47/69/500754769.db2.gz CWFVVGBDRMNRRO-XQBPLPMBSA-N 2 0 360.542 3.413 20 0 FGADRP O=C(NCc1ccc(C[NH+]2CCCC2)cc1)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000433945576 500769099 /nfs/dbraw/zinc/76/90/99/500769099.db2.gz IKEGBOGMBRMBKU-OAQYLSRUSA-N 2 0 370.541 3.099 20 0 FGADRP CC[NH+](CC)Cc1ccccc1CNC(=O)c1ccccc1CC[NH2+]C ZINC000448551564 500771207 /nfs/dbraw/zinc/77/12/07/500771207.db2.gz XFNVVJPPWJOIOK-UHFFFAOYSA-N 2 0 353.510 3.220 20 0 FGADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NC[C@@H]1CCC[NH+]1C1CCCCC1 ZINC000438344941 500774478 /nfs/dbraw/zinc/77/44/78/500774478.db2.gz KIPZDFOUNRVFHL-AABGKKOBSA-N 2 0 362.562 3.052 20 0 FGADRP CCO[C@@H]1C[C@](CO)([NH2+][C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1(C)C ZINC000438829991 500824859 /nfs/dbraw/zinc/82/48/59/500824859.db2.gz SWJBPNSIPRXERV-RJJVWVDVSA-N 2 0 360.542 3.053 20 0 FGADRP CC[NH+](CC)CC1CC[NH+](CCC(=O)Nc2cc(F)cc(F)c2)CC1 ZINC000434622746 500867479 /nfs/dbraw/zinc/86/74/79/500867479.db2.gz IBKUHTWEKJNSBA-UHFFFAOYSA-N 2 0 353.457 3.347 20 0 FGADRP CCCC[NH+]1CCC(NC(=O)NC[C@H]2CCCC[N@@H+]2CC(C)C)CC1 ZINC000439203120 500869464 /nfs/dbraw/zinc/86/94/64/500869464.db2.gz VRFGAHKOIJOVGK-LJQANCHMSA-N 2 0 352.567 3.061 20 0 FGADRP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]C2CCN(C(=O)C3CC3)CC2)CC1 ZINC000449002207 500892634 /nfs/dbraw/zinc/89/26/34/500892634.db2.gz JQYTTZARDDNAAY-SFHVURJKSA-N 2 0 369.553 3.073 20 0 FGADRP COc1cccc2c(C[N@H+](C)CC3CC[NH+](C[C@H](C)O)CC3)cccc12 ZINC000449024665 500901706 /nfs/dbraw/zinc/90/17/06/500901706.db2.gz CSNKOLHONLDXII-KRWDZBQOSA-N 2 0 356.510 3.373 20 0 FGADRP Cc1nn(C)c(C)c1CC[NH2+]C1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000449069486 500916658 /nfs/dbraw/zinc/91/66/58/500916658.db2.gz XJOFOKBWOGGOES-KRWDZBQOSA-N 2 0 354.542 3.265 20 0 FGADRP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+]CCCC[NH+]2CCOCC2)CC1 ZINC000449082436 500920479 /nfs/dbraw/zinc/92/04/79/500920479.db2.gz NJQQTYRJLIWHMS-UHFFFAOYSA-N 3 0 353.595 3.368 20 0 FGADRP C[C@@H]1C[N@@H+](Cc2ccccc2C[NH2+][C@H]2CCOC3(CCC3)C2)C[C@H](C)O1 ZINC000449107444 500926291 /nfs/dbraw/zinc/92/62/91/500926291.db2.gz MQBFANNUHMGSKQ-UEXGIBASSA-N 2 0 358.526 3.487 20 0 FGADRP O[C@@H]1CCC[C@@H]1[NH+]1CCC([NH2+]C2CCC(OC3CCCC3)CC2)CC1 ZINC000449185586 500943188 /nfs/dbraw/zinc/94/31/88/500943188.db2.gz GSVJQVGPHZHBPU-APDVGNCJSA-N 2 0 350.547 3.224 20 0 FGADRP OC[C@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+]Cc1cc2cccnc2o1 ZINC000449234582 500954040 /nfs/dbraw/zinc/95/40/40/500954040.db2.gz QQNMWWZSBFJIAG-LJQANCHMSA-N 2 0 351.450 3.074 20 0 FGADRP CCC[NH+]1CCN(c2ccccc2CN2CCC([NH2+]CC3CC3)CC2)CC1 ZINC000435374538 500962168 /nfs/dbraw/zinc/96/21/68/500962168.db2.gz XYNCJUOSOBDFGN-UHFFFAOYSA-N 2 0 370.585 3.183 20 0 FGADRP Cc1cccn2cc(COc3ccc(C[N@H+]4CC[C@H]([C@@H](C)[NH3+])C4)cc3)nc12 ZINC000435373376 500962237 /nfs/dbraw/zinc/96/22/37/500962237.db2.gz MXQZLOGTJLXSRK-MJGOQNOKSA-N 2 0 364.493 3.391 20 0 FGADRP C[NH2+]CCC1CC[NH+](Cc2c(C)nn(Cc3ccc(OC)cc3)c2C)CC1 ZINC000435384224 500964786 /nfs/dbraw/zinc/96/47/86/500964786.db2.gz LPGDEHAOZOYUNM-UHFFFAOYSA-N 2 0 370.541 3.378 20 0 FGADRP Cc1cccn2cc(COc3ccc(CN4CCC[NH2+]CC4)cc3)nc12 ZINC000435391071 500966502 /nfs/dbraw/zinc/96/65/02/500966502.db2.gz VHOWSEICOLQEIQ-UHFFFAOYSA-N 2 0 350.466 3.017 20 0 FGADRP C[NH2+]C[C@H]1CCCN(Cc2cccc(NC(=O)c3ccc(OC)cc3)c2)C1 ZINC000435390976 500966681 /nfs/dbraw/zinc/96/66/81/500966681.db2.gz UZGMYKUIPCYYQA-GOSISDBHSA-N 2 0 367.493 3.379 20 0 FGADRP COc1cc(C[NH+]2CCC(C[NH3+])CC2)cc(OC)c1OCc1ccccc1 ZINC000435397178 500967709 /nfs/dbraw/zinc/96/77/09/500967709.db2.gz DFNKIXJEHBSVPM-UHFFFAOYSA-N 2 0 370.493 3.454 20 0 FGADRP CCOC(=O)c1cc(C[NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)[nH]c1C ZINC000449296310 500969570 /nfs/dbraw/zinc/96/95/70/500969570.db2.gz YOOBJXZLPQFPKT-SFHVURJKSA-N 2 0 355.482 3.112 20 0 FGADRP COC(=O)c1cc(C[N@H+](Cc2ccsc2)[C@H]2CC23CC[NH2+]CC3)c[nH]1 ZINC000435426094 500972836 /nfs/dbraw/zinc/97/28/36/500972836.db2.gz GKUXDKZCLVRHGK-KRWDZBQOSA-N 2 0 359.495 3.007 20 0 FGADRP CC[NH+](CC)Cc1cccc(NC(=O)[C@@]2(c3ccccc3)CC[NH2+]C2)c1 ZINC000449326878 500978647 /nfs/dbraw/zinc/97/86/47/500978647.db2.gz ZYKPSQBSHSDNMB-QFIPXVFZSA-N 2 0 351.494 3.398 20 0 FGADRP C[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]C2CCC(CS(C)(=O)=O)CC2)CC1 ZINC000449369138 500988291 /nfs/dbraw/zinc/98/82/91/500988291.db2.gz BBRJMZQPCMPSSD-USWSCHJFSA-N 2 0 370.603 3.223 20 0 FGADRP C[C@H]([NH2+][C@@H]1CCO[C@H](c2cncn2C)C1)c1nc(C(F)(F)F)cs1 ZINC000435538785 500989443 /nfs/dbraw/zinc/98/94/43/500989443.db2.gz YVXLNLBELTXTCD-UMNHJUIQSA-N 2 0 360.405 3.466 20 0 FGADRP COc1ccc(OCCN(Cc2ccccn2)[C@H]2CCC[NH2+]CC2)cc1 ZINC000435616474 501002145 /nfs/dbraw/zinc/00/21/45/501002145.db2.gz MECKZVLMXQSRCH-IBGZPJMESA-N 2 0 355.482 3.113 20 0 FGADRP CCN(CC(=O)N(Cc1ccccc1)[C@H](C)C1CC1)[C@@H]1CCC[NH2+]CC1 ZINC000435617249 501002350 /nfs/dbraw/zinc/00/23/50/501002350.db2.gz VOPDLHFABMNRJH-WIYYLYMNSA-N 2 0 357.542 3.278 20 0 FGADRP CCN(CC(=O)NCc1ccccc1OC1CCCC1)[C@@H]1CCC[NH2+]CC1 ZINC000435615944 501002392 /nfs/dbraw/zinc/00/23/92/501002392.db2.gz JHIPRFZQWJQBGA-LJQANCHMSA-N 2 0 373.541 3.088 20 0 FGADRP CC[N@H+](CCC(=O)Nc1ccc(Br)cc1)[C@H]1CCC[NH2+]CC1 ZINC000435614945 501002631 /nfs/dbraw/zinc/00/26/31/501002631.db2.gz NZRFUIQPXGOXIQ-INIZCTEOSA-N 2 0 368.319 3.242 20 0 FGADRP CCN(CC(=O)N1CC[C@@H](C)Sc2ccccc21)[C@H]1CCC[NH2+]CC1 ZINC000435628709 501004607 /nfs/dbraw/zinc/00/46/07/501004607.db2.gz RNMQYTDZUBJMSF-SJORKVTESA-N 2 0 361.555 3.368 20 0 FGADRP CCN(CC(=O)Nc1ccc(C)cc1Br)[C@@H]1CCC[NH2+]CC1 ZINC000435630151 501004654 /nfs/dbraw/zinc/00/46/54/501004654.db2.gz VVKZXDOYJJMFPE-CQSZACIVSA-N 2 0 368.319 3.160 20 0 FGADRP CCC[NH+]1CCC([NH2+]C2CCN(Cc3ccc(NC(C)=O)cc3)CC2)CC1 ZINC000449523877 501024539 /nfs/dbraw/zinc/02/45/39/501024539.db2.gz MHMJJPUHQQUQIX-UHFFFAOYSA-N 2 0 372.557 3.073 20 0 FGADRP C[C@H](C[S@](C)=O)[NH2+]C[C@]1(C(C)(C)C)CC[N@H+](Cc2ccccc2)C1 ZINC000602608040 506230116 /nfs/dbraw/zinc/23/01/16/506230116.db2.gz LSDVJTREPINVDV-PWAGRJGVSA-N 2 0 350.572 3.281 20 0 FGADRP C[NH+](C)CCCC(C)(C)[NH2+]Cc1cn(-c2ccc(F)cc2Cl)nn1 ZINC000449528506 501026292 /nfs/dbraw/zinc/02/62/92/501026292.db2.gz QAGFRJBVHSBBRX-UHFFFAOYSA-N 2 0 353.873 3.270 20 0 FGADRP CN(c1ccccc1C[N@@H+]1CC[C@@H]2C[C@H](O)CC[C@H]2C1)C1CC[NH+](C)CC1 ZINC000449557569 501032775 /nfs/dbraw/zinc/03/27/75/501032775.db2.gz UZNZMRBFURXMHP-XQBPLPMBSA-N 2 0 371.569 3.200 20 0 FGADRP C[C@H](c1ccco1)N(CC(=O)N1CCN(Cc2ccccc2)CC1)C1CC1 ZINC000440903256 501061665 /nfs/dbraw/zinc/06/16/65/501061665.db2.gz LNCOGYWTYILTPV-GOSISDBHSA-N 2 0 367.493 3.149 20 0 FGADRP CN(c1ccccc1C[N@@H+]1CCC[C@]2(CCOC2)C1)C1CC[NH+](C)CC1 ZINC000449687546 501062963 /nfs/dbraw/zinc/06/29/63/501062963.db2.gz PUYGFOVYMAPJAP-QFIPXVFZSA-N 2 0 357.542 3.220 20 0 FGADRP [NH3+]CCC(=O)NC[C@H]1CCCC[N@@H+]1CCCSc1ccccc1Cl ZINC000436061543 501064183 /nfs/dbraw/zinc/06/41/83/501064183.db2.gz QDDIKPVAEWFCNJ-OAHLLOKOSA-N 2 0 369.962 3.142 20 0 FGADRP C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)N[C@@H]2CC[C@H](C[NH3+])C2)c1 ZINC000449728179 501069889 /nfs/dbraw/zinc/06/98/89/501069889.db2.gz UBEMGTNWMMISDS-GHTZIAJQSA-N 2 0 351.494 3.176 20 0 FGADRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2csc(-c3ccsc3)n2)CC1 ZINC000449744515 501072675 /nfs/dbraw/zinc/07/26/75/501072675.db2.gz HRGIKFGTQDYLCX-UHFFFAOYSA-N 2 0 364.584 3.377 20 0 FGADRP FC(F)(F)CN1C[C@@H](c2ccccc2)[C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000449756225 501077407 /nfs/dbraw/zinc/07/74/07/501077407.db2.gz OYVXRZBDSKVLSI-YDZRNGNQSA-N 2 0 367.459 3.233 20 0 FGADRP C[NH+]1CCC(C[NH2+]Cc2cc3c(cccc3F)[nH]2)(N2CCCCC2)CC1 ZINC000436238511 501093673 /nfs/dbraw/zinc/09/36/73/501093673.db2.gz JDPQJLIFEBEVFT-UHFFFAOYSA-N 2 0 358.505 3.347 20 0 FGADRP COCCC1(C[NH2+]CCCN2CCN(c3cc[nH+]cc3)CC2)CCCCC1 ZINC000436274543 501100187 /nfs/dbraw/zinc/10/01/87/501100187.db2.gz MRCVUCJKCRFKHD-UHFFFAOYSA-N 2 0 374.573 3.170 20 0 FGADRP C[N@H+](CCN1CC[NH+](C[C@H]2CCC(F)(F)C2)CC1)Cc1ccccc1 ZINC000450392029 501109820 /nfs/dbraw/zinc/10/98/20/501109820.db2.gz MVZRKGPUHUMBRV-IBGZPJMESA-N 2 0 351.485 3.171 20 0 FGADRP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2CCOc1cccc2ccccc21 ZINC000441260050 501110112 /nfs/dbraw/zinc/11/01/12/501110112.db2.gz FKUPLLGMJBIPHZ-KAGYGMCKSA-N 2 0 354.494 3.402 20 0 FGADRP C[C@@H]1C[C@H](NC(=O)NCC2([NH+]3CCCCC3)CCCCC2)C[N@@H+]1C1CC1 ZINC000441287919 501114363 /nfs/dbraw/zinc/11/43/63/501114363.db2.gz RYQJEZQMTFEEND-MSOLQXFVSA-N 2 0 362.562 3.100 20 0 FGADRP C[N@@H+]1CCN(CC[NH2+]Cc2csc(-c3ccc(F)cc3)n2)CC1(C)C ZINC000441358320 501126838 /nfs/dbraw/zinc/12/68/38/501126838.db2.gz ODIJPZAINYZSEW-UHFFFAOYSA-N 2 0 362.518 3.065 20 0 FGADRP Fc1ccc(C[N@@H+]2CC[C@@]3(CCOC3)C2)cc1C[NH+]1CC[C@@]2(CCOC2)C1 ZINC000450484850 501133467 /nfs/dbraw/zinc/13/34/67/501133467.db2.gz NIGQVDOOAPVXFD-FGZHOGPDSA-N 2 0 374.500 3.051 20 0 FGADRP C[NH+](C)CCc1ccccc1NC(=O)NCc1ccc(C[NH+](C)C)c(F)c1 ZINC000446578772 501136560 /nfs/dbraw/zinc/13/65/60/501136560.db2.gz WVABMJGURGTZRV-UHFFFAOYSA-N 2 0 372.488 3.313 20 0 FGADRP Cc1ccc([C@@H](CCn2cncn2)[NH2+]C[C@@H](C)C[NH+]2CCCCC2)cc1 ZINC000446743286 501160011 /nfs/dbraw/zinc/16/00/11/501160011.db2.gz DOWHTQPNHQGORJ-TZIWHRDSSA-N 2 0 355.530 3.430 20 0 FGADRP CC[NH+]1CCC(CC[NH2+][C@@H](CCn2cncn2)c2ccc(C)cc2)CC1 ZINC000446828316 501168746 /nfs/dbraw/zinc/16/87/46/501168746.db2.gz SUEXLSWGLYSAAA-NRFANRHFSA-N 2 0 355.530 3.430 20 0 FGADRP COc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]CC1CC[NH+](C2CC2)CC1)CC3 ZINC000446884703 501176799 /nfs/dbraw/zinc/17/67/99/501176799.db2.gz QLIXDSJUSCRZJU-INIZCTEOSA-N 2 0 353.510 3.498 20 0 FGADRP Clc1cc(C[NH2+]CC2CC[NH+](C3CC3)CC2)cc2c1OCCCO2 ZINC000446886256 501177808 /nfs/dbraw/zinc/17/78/08/501177808.db2.gz FPUVLEHISBEOJL-UHFFFAOYSA-N 2 0 350.890 3.465 20 0 FGADRP COc1ccc(C[N@@H+]2CC[C@H](Oc3cccnc3N3CCCC3)C2)cc1 ZINC000451030457 501240515 /nfs/dbraw/zinc/24/05/15/501240515.db2.gz UMAMIUICWWHTNS-IBGZPJMESA-N 2 0 353.466 3.344 20 0 FGADRP COc1ccc(C[N@@H+]2CC[C@@H](Oc3cccnc3N3CCCC3)C2)cc1 ZINC000451030459 501240560 /nfs/dbraw/zinc/24/05/60/501240560.db2.gz UMAMIUICWWHTNS-LJQANCHMSA-N 2 0 353.466 3.344 20 0 FGADRP CC[C@H]([NH2+]CCCN1CC[NH+](Cc2ccccc2)CC1)c1ccncc1 ZINC000453090488 501267150 /nfs/dbraw/zinc/26/71/50/501267150.db2.gz RJSLSBQHCWALQI-QFIPXVFZSA-N 2 0 352.526 3.330 20 0 FGADRP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(C[NH2+][C@H](C3CC3)C3CCCC3)c2)C1 ZINC000453110751 501271684 /nfs/dbraw/zinc/27/16/84/501271684.db2.gz OIMCPZDARSPLHT-YADHBBJMSA-N 2 0 369.553 3.442 20 0 FGADRP CC(=O)N1CCCN(C[C@@H]2CCC[N@@H+](CC[C@@H]3CCC[C@@H](C)C3)C2)CC1 ZINC000451529104 501313646 /nfs/dbraw/zinc/31/36/46/501313646.db2.gz GJSGVRFPUTXWOE-BAGYTPMASA-N 2 0 363.590 3.469 20 0 FGADRP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+]CCN2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC000453334119 501316548 /nfs/dbraw/zinc/31/65/48/501316548.db2.gz JFJAIPXDWWVCTC-KDURUIRLSA-N 2 0 351.579 3.118 20 0 FGADRP CN1CCO[C@@H]([C@@H]([NH2+]CCCC[N@H+](C)C2CC2)c2ccc(Cl)cc2)C1 ZINC000453420157 501327855 /nfs/dbraw/zinc/32/78/55/501327855.db2.gz ZJSCITQISRNFCX-UXHICEINSA-N 2 0 365.949 3.176 20 0 FGADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)NC(C)(C)CCC[NH+](C)C)C1 ZINC000457933693 501338106 /nfs/dbraw/zinc/33/81/06/501338106.db2.gz QLRNTULQIKSEMQ-PKOBYXMFSA-N 2 0 360.546 3.242 20 0 FGADRP CCN(CC(=O)NCC[C@@H]1CCC[N@H+](C)C1)Cc1ccccc1Cl ZINC000458170897 501384046 /nfs/dbraw/zinc/38/40/46/501384046.db2.gz AGPYLUILWOQQPL-INIZCTEOSA-N 2 0 351.922 3.010 20 0 FGADRP C[NH+](C)CCN(Cc1ccsc1)C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000458195666 501389357 /nfs/dbraw/zinc/38/93/57/501389357.db2.gz CGLNYFSAIDCSNW-SFHVURJKSA-N 2 0 363.571 3.293 20 0 FGADRP C[NH+](C)[C@H]1CCc2cc(NC(=O)NCC[N@@H+](C)Cc3ccccc3)ccc21 ZINC000455910849 501413143 /nfs/dbraw/zinc/41/31/43/501413143.db2.gz IWXVJNPMGIFUGM-NRFANRHFSA-N 2 0 366.509 3.489 20 0 FGADRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2c(C)cc(C)c(C(C)=O)c2C)CC1 ZINC000451985951 501413486 /nfs/dbraw/zinc/41/34/86/501413486.db2.gz MWVOWNPJSBJNKF-UHFFFAOYSA-N 2 0 359.558 3.320 20 0 FGADRP CC[NH+]1CCC(CCNC(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)CC1 ZINC000455942142 501421555 /nfs/dbraw/zinc/42/15/55/501421555.db2.gz UOOCOYFCDOGNMT-HXUWFJFHSA-N 2 0 358.530 3.479 20 0 FGADRP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC(C)(C)CCC[NH+](C)C)C1 ZINC000458380816 501431525 /nfs/dbraw/zinc/43/15/25/501431525.db2.gz PDIHZOLUHCNSAT-KRWDZBQOSA-N 2 0 354.583 3.307 20 0 FGADRP C[N@H+](C[C@@H](O)CCc1ccccc1)C1CCN(CCC(F)(F)F)CC1 ZINC000452118535 501438986 /nfs/dbraw/zinc/43/89/86/501438986.db2.gz PGLSWSZTGPKEAK-SFHVURJKSA-N 2 0 358.448 3.329 20 0 FGADRP CC(C)CC[NH+]1CCC(CNC(=O)NC(C)(C)CCC[NH+](C)C)CC1 ZINC000458495361 501458701 /nfs/dbraw/zinc/45/87/01/501458701.db2.gz BWZWAVDYIXTHCC-UHFFFAOYSA-N 2 0 354.583 3.164 20 0 FGADRP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)N[C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000458512545 501463261 /nfs/dbraw/zinc/46/32/61/501463261.db2.gz YIHPTPBSZPJJDD-JBACZVJFSA-N 2 0 372.557 3.164 20 0 FGADRP CCOC(=O)c1[nH]c(C)c(C[NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)c1C ZINC000598973581 506255165 /nfs/dbraw/zinc/25/51/65/506255165.db2.gz AZPOPJQLYKUTPZ-LJQANCHMSA-N 2 0 369.509 3.420 20 0 FGADRP Cn1cncc1CCC[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000582495042 506255832 /nfs/dbraw/zinc/25/58/32/506255832.db2.gz UMYMYUDRIYGHMO-UNMCSNQZSA-N 2 0 352.526 3.339 20 0 FGADRP C[C@H](NC(=O)NC(C)(C)CCC[NH+](C)C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000458669773 501503528 /nfs/dbraw/zinc/50/35/28/501503528.db2.gz IJUDKDCSGYAYRL-AZUAARDMSA-N 2 0 374.573 3.317 20 0 FGADRP C[N@H+](CCCCNC(=O)NCC1CC[NH+](Cc2ccccc2)CC1)C1CC1 ZINC000454393817 501532727 /nfs/dbraw/zinc/53/27/27/501532727.db2.gz YYIQCXRRKDURSN-UHFFFAOYSA-N 2 0 372.557 3.072 20 0 FGADRP CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000458926036 501560426 /nfs/dbraw/zinc/56/04/26/501560426.db2.gz CDZPUJQZJBKZNK-ZCNNSNEGSA-N 2 0 364.578 3.154 20 0 FGADRP CCOCC[C@@H](O)C[N@@H+]1CC(C)(C)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000453030710 501604680 /nfs/dbraw/zinc/60/46/80/501604680.db2.gz YQSDJPKJJIMTES-FGZHOGPDSA-N 2 0 374.569 3.397 20 0 FGADRP C[N@H+](CCCCNC(=O)NC(C)(C)CC[NH+]1CCCCCC1)C1CC1 ZINC000459171796 501608000 /nfs/dbraw/zinc/60/80/00/501608000.db2.gz YAMURBXXYACWSQ-UHFFFAOYSA-N 2 0 352.567 3.205 20 0 FGADRP CC[NH+](CC)CCN(Cc1ccccc1)C(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000459272131 501622796 /nfs/dbraw/zinc/62/27/96/501622796.db2.gz WXGZQBZJUSFXKX-NRFANRHFSA-N 2 0 374.573 3.272 20 0 FGADRP CCn1ccnc1[C@H](C)NC(=O)N[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000454761388 501624030 /nfs/dbraw/zinc/62/40/30/501624030.db2.gz FANDPGNPKGASLV-JENIJYKNSA-N 2 0 369.513 3.174 20 0 FGADRP CC[NH+](CC)CCCC1CCN(C(=O)NCC[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000459306503 501628430 /nfs/dbraw/zinc/62/84/30/501628430.db2.gz LXORQPSETXWEIL-FQEVSTJZSA-N 2 0 366.594 3.262 20 0 FGADRP C[C@@H]1CN(c2ccccc2C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)CCO1 ZINC000459363555 501639781 /nfs/dbraw/zinc/63/97/81/501639781.db2.gz RJDYXVXNOPAGEW-QMHWCDLVSA-N 2 0 369.553 3.360 20 0 FGADRP Cc1nc2ccccc2n1CC[NH2+]Cc1ccccc1N1CCO[C@@H](C)C1 ZINC000459371910 501641287 /nfs/dbraw/zinc/64/12/87/501641287.db2.gz HLGWAQFZAZZMNL-KRWDZBQOSA-N 2 0 364.493 3.360 20 0 FGADRP CC(C)(C[NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1ccc2c(c1)OCCO2 ZINC000459385602 501643908 /nfs/dbraw/zinc/64/39/08/501643908.db2.gz JUCYCPCQELKIPJ-UHFFFAOYSA-N 2 0 367.493 3.389 20 0 FGADRP COC[C@H](O)C[N@@H+]1CCCCC[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000459522955 501669028 /nfs/dbraw/zinc/66/90/28/501669028.db2.gz LDSJUJLCVVGPKO-YADHBBJMSA-N 2 0 360.542 3.151 20 0 FGADRP COc1ccc([C@H](CO)C[NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3C)CC2)cc1 ZINC000459757345 501709604 /nfs/dbraw/zinc/70/96/04/501709604.db2.gz RPFOVCGFUZQQIY-LZNRXBQRSA-N 2 0 360.542 3.404 20 0 FGADRP COc1cc(C[NH+]2C[C@@H]3C[C@H]2CS3)cc(C[N@@H+]2C[C@@H]3C[C@H]2CS3)c1 ZINC000459794452 501714557 /nfs/dbraw/zinc/71/45/57/501714557.db2.gz MNPLYLVKGHDTLK-CAMMJAKZSA-N 2 0 362.564 3.075 20 0 FGADRP CC[NH+](CC)Cc1ccccc1CNC(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000457524623 501716411 /nfs/dbraw/zinc/71/64/11/501716411.db2.gz IPVQMNUGNBIWHS-SFHVURJKSA-N 2 0 360.546 3.060 20 0 FGADRP CCCN(C(=O)Cn1ccnc1C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000457542253 501719102 /nfs/dbraw/zinc/71/91/02/501719102.db2.gz UHNRRSKIZZDZGD-HXUWFJFHSA-N 2 0 354.498 3.095 20 0 FGADRP CO[C@@H]1C[NH+](Cc2ccc(C[N@@H+]3CC[C@H](C)[C@H](OC)C3)cc2)CC[C@H]1C ZINC000467286943 501758713 /nfs/dbraw/zinc/75/87/13/501758713.db2.gz BSMQKIQQPONZMW-GMQQQROESA-N 2 0 360.542 3.400 20 0 FGADRP C[C@H](C(=O)N(C)[C@H]1CCC[N@H+](Cc2ccccc2)C1)[NH+]1CCCCCC1 ZINC000470669366 501760217 /nfs/dbraw/zinc/76/02/17/501760217.db2.gz JXQGROKOMOWCCB-CTNGQTDRSA-N 2 0 357.542 3.374 20 0 FGADRP C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+]CC1CC[NH+](CCN(C)C)CC1 ZINC000467332280 501771859 /nfs/dbraw/zinc/77/18/59/501771859.db2.gz GNAZQJNMBMQVCU-MRXNPFEDSA-N 2 0 371.491 3.500 20 0 FGADRP CC[C@H](C)[N@H+](C)CCNC(=O)N(C)[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000470718454 501781038 /nfs/dbraw/zinc/78/10/38/501781038.db2.gz SGKMWJQWXKDUSA-AZUAARDMSA-N 2 0 360.546 3.023 20 0 FGADRP C[NH+](C)CC1(C(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)CCCCC1 ZINC000460290666 501782970 /nfs/dbraw/zinc/78/29/70/501782970.db2.gz QYRYHTCXTLVIHI-GOSISDBHSA-N 2 0 361.530 3.435 20 0 FGADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2ccc3c(c2)CC[NH2+]CC3)C1 ZINC000474317389 501787320 /nfs/dbraw/zinc/78/73/20/501787320.db2.gz MGXZNZHRNWBFDT-QGZVFWFLSA-N 2 0 357.542 3.005 20 0 FGADRP CC(C)C[C@@H](C[NH+](C)C)NC(=O)N(C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000470739816 501789062 /nfs/dbraw/zinc/78/90/62/501789062.db2.gz FRFPBTQPIVEHOV-SFTDATJTSA-N 2 0 374.573 3.269 20 0 FGADRP C[NH+](C)[C@@H](CNC(=O)C[N@@H+]1CCC[C@@]2(CC=CCC2)C1)c1ccccc1 ZINC000460378495 501809287 /nfs/dbraw/zinc/80/92/87/501809287.db2.gz CIHPSSLPOCSCEB-UNMCSNQZSA-N 2 0 355.526 3.228 20 0 FGADRP CCS[C@H]1CCCC[N@H+](CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000460385787 501811558 /nfs/dbraw/zinc/81/15/58/501811558.db2.gz GCWSVTBCFSEHOF-RBUKOAKNSA-N 2 0 363.571 3.013 20 0 FGADRP O=C(NCC[N@H+]1CC=CCC1)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000474375118 501811697 /nfs/dbraw/zinc/81/16/97/501811697.db2.gz QRVJKLWWHJHPQB-UHFFFAOYSA-N 2 0 370.541 3.124 20 0 FGADRP CCN(CC)C(=O)[C@@H](C)[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000485465554 501828391 /nfs/dbraw/zinc/82/83/91/501828391.db2.gz ISMYGZHHBRRPFB-LJQANCHMSA-N 2 0 357.542 3.231 20 0 FGADRP CN1CCO[C@H]([C@@H]([NH2+]CC2(C)CC[NH+](C)CC2)c2ccc(Cl)cc2)C1 ZINC000467630739 501837305 /nfs/dbraw/zinc/83/73/05/501837305.db2.gz SADHHAAWJXNZTC-OALUTQOASA-N 2 0 365.949 3.033 20 0 FGADRP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)c1nc(C(F)(F)F)cs1 ZINC000467743219 501858430 /nfs/dbraw/zinc/85/84/30/501858430.db2.gz JDWSYIJTIQSPSK-VXGBXAGGSA-N 2 0 351.438 3.049 20 0 FGADRP CCCN(CC[NH+]1CCCCC1)C(=O)NCc1ccnc(N2CCCC2)c1 ZINC000478169586 501899236 /nfs/dbraw/zinc/89/92/36/501899236.db2.gz DZAUMBMSAVHBQH-UHFFFAOYSA-N 2 0 373.545 3.089 20 0 FGADRP CC(C)[C@@H](C[NH2+][C@@H](C)Cc1ccccc1C(F)(F)F)N1CC[NH+](C)CC1 ZINC000481920335 501918638 /nfs/dbraw/zinc/91/86/38/501918638.db2.gz UXTWXNHKXOZYOD-QFBILLFUSA-N 2 0 371.491 3.498 20 0 FGADRP C[NH+](C)CCN(C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)C1CCCC1 ZINC000468021164 501932363 /nfs/dbraw/zinc/93/23/63/501932363.db2.gz IUAHKPSLXKVVSL-NRFANRHFSA-N 2 0 372.557 3.167 20 0 FGADRP CC(C)C[C@H](CNC(=O)N1CC[N@H+](C)CC[C@H]1C)[NH2+][C@@H](C)c1ccccc1 ZINC000468023067 501932396 /nfs/dbraw/zinc/93/23/96/501932396.db2.gz VDYGVJQGXCSUKE-SVFBPWRDSA-N 2 0 374.573 3.488 20 0 FGADRP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N(CC[NH+](C)C)C2CCCC2)C1 ZINC000468047112 501940527 /nfs/dbraw/zinc/94/05/27/501940527.db2.gz GKHZSEILUHPMFB-KRWDZBQOSA-N 2 0 352.567 3.013 20 0 FGADRP CC[NH+](CC)CCCNC(=O)C1CCN(c2cc[nH+]c(C)c2Cl)CC1 ZINC000478327985 501944146 /nfs/dbraw/zinc/94/41/46/501944146.db2.gz OBIDBXZCSVIFAK-UHFFFAOYSA-N 2 0 366.937 3.108 20 0 FGADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1 ZINC000468066782 501945796 /nfs/dbraw/zinc/94/57/96/501945796.db2.gz YDQXNELUVFBGOR-QZTJIDSGSA-N 2 0 370.541 3.030 20 0 FGADRP CCOC(=O)C1(C)CCC([NH2+]CC2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000474882201 501979850 /nfs/dbraw/zinc/97/98/50/501979850.db2.gz UHYSNWVSXOGBJQ-UHFFFAOYSA-N 2 0 359.514 3.400 20 0 FGADRP COC(=O)CC1CCC([NH2+][C@@H](Cc2nccn2C)c2ccccc2)CC1 ZINC000599029275 506286595 /nfs/dbraw/zinc/28/65/95/506286595.db2.gz FJSQJHYYTVSIPR-KVZIAJEVSA-N 2 0 355.482 3.415 20 0 FGADRP COC(=O)C[C@@H]1CC[C@H]([NH2+][C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)[C@@H]1C ZINC000474939390 501998858 /nfs/dbraw/zinc/99/88/58/501998858.db2.gz AWDHVLSAVQYKFM-XPSJOHQASA-N 2 0 358.526 3.464 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cccc2ccsc21 ZINC000464656261 502056952 /nfs/dbraw/zinc/05/69/52/502056952.db2.gz LXANKFWOXCOKIB-KRWDZBQOSA-N 2 0 359.539 3.389 20 0 FGADRP Cc1cc([C@@H](C)[NH2+]CCCC[NH+]2CCN(c3ncccn3)CC2)c(C)s1 ZINC000482439163 502066970 /nfs/dbraw/zinc/06/69/70/502066970.db2.gz NZMJDHZLSFUYKI-QGZVFWFLSA-N 2 0 373.570 3.408 20 0 FGADRP CC(C)c1ccc(NC(=O)C[C@H](C)[NH2+][C@H](C)CCN2CC[NH+](C)CC2)cc1 ZINC000471613785 502087318 /nfs/dbraw/zinc/08/73/18/502087318.db2.gz YKPUUBUTZRGGQM-MOPGFXCFSA-N 2 0 374.573 3.143 20 0 FGADRP C[C@@H]([NH2+]C[C@H](C)CN1CC[NH+](C)CC1)c1ccc(OCC(F)(F)F)cc1 ZINC000482501293 502089619 /nfs/dbraw/zinc/08/96/19/502089619.db2.gz BTKQACXNXWPKDB-JKSUJKDBSA-N 2 0 373.463 3.162 20 0 FGADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N1CC[C@H]([NH+]2CCCC2)[C@H]1C ZINC000478829285 502099215 /nfs/dbraw/zinc/09/92/15/502099215.db2.gz JLPOQQXRUJOWHL-NQIIRXRSSA-N 2 0 372.557 3.295 20 0 FGADRP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@@H+]2C[C@@H](C)CC[C@@H]2C)CC1 ZINC000464810741 502101742 /nfs/dbraw/zinc/10/17/42/502101742.db2.gz KYZOGDODFZXKNY-ICSRJNTNSA-N 2 0 357.542 3.150 20 0 FGADRP CC(C)[NH+]1CCC(C(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC000461443154 502117113 /nfs/dbraw/zinc/11/71/13/502117113.db2.gz GKTZXEIZMXRHGB-FCHUYYIVSA-N 2 0 369.553 3.087 20 0 FGADRP CC(C)[NH+](CCCNC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(C)C ZINC000475291235 502120772 /nfs/dbraw/zinc/12/07/72/502120772.db2.gz NLAUDUMKUGOFLB-OAQYLSRUSA-N 2 0 374.573 3.411 20 0 FGADRP [NH3+]C[C@H](Cc1ccccc1)[C@@H]1CCCCN1C(=O)C[C@@H]([NH3+])c1ccccc1 ZINC000471791587 502138210 /nfs/dbraw/zinc/13/82/10/502138210.db2.gz WMKNAWCQAGTMSM-BDTNDASRSA-N 2 0 365.521 3.275 20 0 FGADRP CCCN(CCC[NH+](C)C)C(=O)N[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000468683546 502145084 /nfs/dbraw/zinc/14/50/84/502145084.db2.gz GOZDNJKOSRUARZ-QUCCMNQESA-N 2 0 360.546 3.023 20 0 FGADRP C[C@@H]1C[N@@H+](Cc2ccccc2C[NH2+][C@@H]2CCCc3nn(C)cc32)C[C@H](C)O1 ZINC000479064115 502151126 /nfs/dbraw/zinc/15/11/26/502151126.db2.gz GHABNZZHGHSZJA-LLGFUMIMSA-N 2 0 368.525 3.197 20 0 FGADRP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000471866973 502159151 /nfs/dbraw/zinc/15/91/51/502159151.db2.gz YPYYDTLXNFSDGX-SBHAEUEKSA-N 2 0 372.557 3.071 20 0 FGADRP CCCC[N@H+](C)C[C@H](C)NC(=O)N1CCC[NH+](Cc2ccccc2)CC1 ZINC000461795000 502203898 /nfs/dbraw/zinc/20/38/98/502203898.db2.gz JTVMLLLYUKHWDY-IBGZPJMESA-N 2 0 360.546 3.024 20 0 FGADRP CCN(CCC[NH+]1CCCC1)C(=O)NCC1CC[NH+](CCC(C)C)CC1 ZINC000472047314 502210264 /nfs/dbraw/zinc/21/02/64/502210264.db2.gz JPJUHKNOLWPCQC-UHFFFAOYSA-N 2 0 366.594 3.262 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccc(OC)c(C2CC2)c1 ZINC000468883251 502217685 /nfs/dbraw/zinc/21/76/85/502217685.db2.gz HRZSSELCPTVCGC-IBGZPJMESA-N 2 0 373.541 3.061 20 0 FGADRP C[C@@H]1C[C@@H](NC(=O)c2ccccc2C[NH+](C)C)C[N@@H+]1Cc1ccccc1 ZINC000486643309 502218073 /nfs/dbraw/zinc/21/80/73/502218073.db2.gz VXKVKJCCZUIXCQ-YLJYHZDGSA-N 2 0 351.494 3.141 20 0 FGADRP C[C@@H](CCCCN1C(=O)c2ccccc2C1=O)[NH2+]CC(C)(C)C[NH+](C)C ZINC000472140251 502245798 /nfs/dbraw/zinc/24/57/98/502245798.db2.gz NEEMKZMXOMJIEE-INIZCTEOSA-N 2 0 359.514 3.019 20 0 FGADRP CC(C)C[C@]1(CO)CCC[NH+]1CCC[N@H+]1CCC[C@@]1(CO)CC(C)C ZINC000475718425 502263037 /nfs/dbraw/zinc/26/30/37/502263037.db2.gz YMBCFLZCDYKGLP-SFTDATJTSA-N 2 0 354.579 3.123 20 0 FGADRP C[C@@H]1C[C@H](C)[C@H](C)[N@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000475725139 502265507 /nfs/dbraw/zinc/26/55/07/502265507.db2.gz XYMSWCQLKGLSGI-QYZOEREBSA-N 2 0 357.542 3.265 20 0 FGADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](CCC(=O)Nc2cccc(Cl)c2)C1 ZINC000472290149 502301418 /nfs/dbraw/zinc/30/14/18/502301418.db2.gz FAQMXHVWSQHNAH-GOSISDBHSA-N 2 0 367.921 3.101 20 0 FGADRP COC(=O)c1ccc(C[N@@H+]2CCCC[C@@H]2[C@H](C[NH3+])Cc2ccccc2)o1 ZINC000472376525 502334809 /nfs/dbraw/zinc/33/48/09/502334809.db2.gz XTHVBFLLVOWBIE-PKOBYXMFSA-N 2 0 356.466 3.238 20 0 FGADRP Cc1[nH]nc2ncc(C[N@@H+]3CCCC[C@H]3[C@@H](C[NH3+])Cc3ccccc3)cc12 ZINC000472376856 502334882 /nfs/dbraw/zinc/33/48/82/502334882.db2.gz ZINOPDNGIJZRQN-CTNGQTDRSA-N 2 0 363.509 3.438 20 0 FGADRP FC(F)(F)c1cccc(CN2CC[NH+](CCC3CC[NH2+]CC3)CC2)c1 ZINC000479690417 502344926 /nfs/dbraw/zinc/34/49/26/502344926.db2.gz SLRRBCPITWDSQK-UHFFFAOYSA-N 2 0 355.448 3.213 20 0 FGADRP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000469255256 502352446 /nfs/dbraw/zinc/35/24/46/502352446.db2.gz FEPDSQLBKNMWPO-IAGOWNOFSA-N 2 0 352.482 3.240 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CNC(=O)NC[C@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC000465709725 502355519 /nfs/dbraw/zinc/35/55/19/502355519.db2.gz DZBRIPPWCAILED-LEWJYISDSA-N 2 0 372.557 3.243 20 0 FGADRP Cn1ccnc1COc1ccc(C[N@H+](CCC[NH3+])Cc2ccccc2)cc1 ZINC000479765050 502370544 /nfs/dbraw/zinc/37/05/44/502370544.db2.gz BECZGISSEDXJJF-UHFFFAOYSA-N 2 0 364.493 3.350 20 0 FGADRP CC[C@@H]1CN(C(=O)c2ccccc2C[NH+](C)C)CC[N@@H+]1Cc1ccccc1 ZINC000487158411 502375891 /nfs/dbraw/zinc/37/58/91/502375891.db2.gz VPSDTUGQPRCMCY-OAQYLSRUSA-N 2 0 365.521 3.485 20 0 FGADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)NC2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC000465766860 502377694 /nfs/dbraw/zinc/37/76/94/502377694.db2.gz YBPGPCLTFPHGSA-VWWARQNISA-N 2 0 370.541 3.136 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CNC(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000465773090 502379385 /nfs/dbraw/zinc/37/93/85/502379385.db2.gz DGSKALFQODOSMN-NRFANRHFSA-N 2 0 372.557 3.346 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCc1c(C)cc(C)cc1C ZINC000465793841 502387058 /nfs/dbraw/zinc/38/70/58/502387058.db2.gz WSCGSCFCGCYFPR-FQEVSTJZSA-N 2 0 374.573 3.169 20 0 FGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]C[C@H]2CCSC2)CC1 ZINC000487297120 502411185 /nfs/dbraw/zinc/41/11/85/502411185.db2.gz HMUZSWFLNZDBGM-HZPDHXFCSA-N 2 0 351.535 3.371 20 0 FGADRP CCOc1ccc(C[NH2+]CC2(N3CCCCC3)CC[NH+](C)CC2)cc1F ZINC000487296217 502411654 /nfs/dbraw/zinc/41/16/54/502411654.db2.gz NYHNVHYARGXWQG-UHFFFAOYSA-N 2 0 363.521 3.264 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CNC(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCCC1 ZINC000465910796 502424470 /nfs/dbraw/zinc/42/44/70/502424470.db2.gz ONOLGRUPURGMMJ-ICSRJNTNSA-N 2 0 372.557 3.434 20 0 FGADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)NCCCCC[NH+]2CCCCC2)C1 ZINC000465954207 502438769 /nfs/dbraw/zinc/43/87/69/502438769.db2.gz ULEIWNLVFUNXIQ-LJQANCHMSA-N 2 0 352.567 3.016 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NCCCC[NH+]2CCCC[C@@H]2C)C[C@H]1C ZINC000483682974 502462283 /nfs/dbraw/zinc/46/22/83/502462283.db2.gz LFSZDWIXBLMFQO-OTWHNJEPSA-N 2 0 352.567 3.155 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)N(C)[C@H]1CC[N@H+](CC)[C@@H](C)C1)CC(C)C ZINC000483716868 502474013 /nfs/dbraw/zinc/47/40/13/502474013.db2.gz UCMPHHIFPSKIIN-GBESFXJTSA-N 2 0 354.583 3.257 20 0 FGADRP CSC1(CNc2nccc(N3Cc4ccccc4C3)n2)CC[NH+](C)CC1 ZINC000599085259 506316151 /nfs/dbraw/zinc/31/61/51/506316151.db2.gz OAXRDQYQCCAUIY-UHFFFAOYSA-N 2 0 369.538 3.236 20 0 FGADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000483797783 502494935 /nfs/dbraw/zinc/49/49/35/502494935.db2.gz HBJHMYWYGFAXKN-HXUWFJFHSA-N 2 0 364.578 3.347 20 0 FGADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N(C)[C@H]2CC[NH+](CC)[C@@H](C)C2)C1 ZINC000483799121 502495714 /nfs/dbraw/zinc/49/57/14/502495714.db2.gz KVJWZLKSAIHXKG-OTWHNJEPSA-N 2 0 366.594 3.401 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(Nc3cc[nH+]cc3)cc2)C[C@H]1C ZINC000469682635 502500621 /nfs/dbraw/zinc/50/06/21/502500621.db2.gz JCEOWAMEKAMSCW-UZLBHIALSA-N 2 0 352.482 3.192 20 0 FGADRP CCC(CC)[C@@H](CNC(=O)NC[C@H]1CCCC[N@@H+]1CC)[NH+]1CCCC1 ZINC000476481374 502501180 /nfs/dbraw/zinc/50/11/80/502501180.db2.gz BODOURAOCDYODV-RTBURBONSA-N 2 0 352.567 3.061 20 0 FGADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@@H](CO)Cc1cccc(OC(F)(F)F)c1 ZINC000483821512 502501271 /nfs/dbraw/zinc/50/12/71/502501271.db2.gz NBMLJENUQFFESX-AHEZYBDSSA-N 2 0 374.447 3.055 20 0 FGADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@H](CO)Cc1cccc(OC(F)(F)F)c1 ZINC000483821515 502501552 /nfs/dbraw/zinc/50/15/52/502501552.db2.gz NBMLJENUQFFESX-GZOSKZMVSA-N 2 0 374.447 3.055 20 0 FGADRP CCC(C)(C)[NH2+][C@H](C)C(=O)NCC1([N@@H+]2CCOC(C)(C)C2)CCCCC1 ZINC000476533800 502515779 /nfs/dbraw/zinc/51/57/79/502515779.db2.gz KYAKMFNSBXKGOO-QGZVFWFLSA-N 2 0 367.578 3.083 20 0 FGADRP C[NH+](C)CCOc1cccc(NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)c1 ZINC000487733990 502517393 /nfs/dbraw/zinc/51/73/93/502517393.db2.gz FVOVYYJDILFXPQ-KRWDZBQOSA-N 2 0 359.514 3.220 20 0 FGADRP Cc1cccc2c1[nH+]cc(C)c2N1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000462700302 502538996 /nfs/dbraw/zinc/53/89/96/502538996.db2.gz VFHRSHLYHIQOPA-SFHVURJKSA-N 2 0 352.526 3.456 20 0 FGADRP CCC[C@@H]([NH2+]C(C)C)C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000473298283 502562514 /nfs/dbraw/zinc/56/25/14/502562514.db2.gz DEOZSDCAEBAZRA-FUHWJXTLSA-N 2 0 351.560 3.243 20 0 FGADRP C[C@@H]1C[C@@H]([NH2+]CC2(O)CC[NH+](C)CC2)c2cccc(Br)c21 ZINC000484142227 502581653 /nfs/dbraw/zinc/58/16/53/502581653.db2.gz IDXDBCALFKHJKA-IUODEOHRSA-N 2 0 353.304 3.044 20 0 FGADRP CCNC(=O)[C@H](C)[NH2+][C@H](CCC[NH+]1CCC(C)CC1)c1ccc(F)cc1 ZINC000462808666 502582208 /nfs/dbraw/zinc/58/22/08/502582208.db2.gz DZNWJBWOXLTIRR-FXAWDEMLSA-N 2 0 363.521 3.493 20 0 FGADRP C[C@@H]([NH3+])[C@H]1CCN(C(=O)c2cccc(C[N@H+](C)Cc3ccccc3)c2)C1 ZINC000484145466 502583311 /nfs/dbraw/zinc/58/33/11/502583311.db2.gz SAJPSGZHDDKJTB-UTKZUKDTSA-N 2 0 351.494 3.128 20 0 FGADRP Cn1c2ccc(C(F)(F)F)cc2nc1CN1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000469888145 502584815 /nfs/dbraw/zinc/58/48/15/502584815.db2.gz MDLMLAKMJIPHGO-UBHSHLNASA-N 2 0 352.404 3.151 20 0 FGADRP O[C@@H]1CC[N@H+](Cc2cccc(N[C@H]3CCC[NH+](Cc4ccccc4)C3)c2)C1 ZINC000462866755 502605604 /nfs/dbraw/zinc/60/56/04/502605604.db2.gz PKIQFMQMUXHTIG-XZOQPEGZSA-N 2 0 365.521 3.330 20 0 FGADRP CCSc1ccc(C(=O)N(CC[NH+](C)C)C[C@@H]2CCC[N@@H+]2CC)cc1 ZINC000480571405 502606835 /nfs/dbraw/zinc/60/68/35/502606835.db2.gz IXKYHTIPORGXFL-SFHVURJKSA-N 2 0 363.571 3.287 20 0 FGADRP C[C@@H]([NH2+]CCCC[N@@H+]1CCCC[C@@H]1C)c1cccc(NS(C)(=O)=O)c1 ZINC000480609542 502618918 /nfs/dbraw/zinc/61/89/18/502618918.db2.gz LPDNTNBEILAVCS-DLBZAZTESA-N 2 0 367.559 3.363 20 0 FGADRP C[C@H]([NH2+]CCC[N@@H+]1CCCC[C@@H]1C)[C@H](c1ccccc1)N1CCOCC1 ZINC000480613693 502621035 /nfs/dbraw/zinc/62/10/35/502621035.db2.gz PNAWQJXCRZWQKD-JAXLGGSGSA-N 2 0 359.558 3.303 20 0 FGADRP CC[NH+](CC)Cc1ccc(CNC(=O)N2CC[C@H]([NH+]3CCCC3)[C@H]2C)cc1 ZINC000476925407 502623324 /nfs/dbraw/zinc/62/33/24/502623324.db2.gz HPCFCISKPSUURC-NQIIRXRSSA-N 2 0 372.557 3.297 20 0 FGADRP C[C@@H]([NH2+]Cc1cccc(C[NH+](C)C)c1)[C@@H](c1ccccc1)N1CCOCC1 ZINC000480621145 502623730 /nfs/dbraw/zinc/62/37/30/502623730.db2.gz IYKCGHWKXRXXGC-XXBNENTESA-N 2 0 367.537 3.300 20 0 FGADRP CCOc1c(Br)cc(C[NH+]2CCC([C@@H](C)[NH3+])CC2)cc1OC ZINC000470015059 502631159 /nfs/dbraw/zinc/63/11/59/502631159.db2.gz JTWFYXJNHQUZCE-GFCCVEGCSA-N 2 0 371.319 3.416 20 0 FGADRP C[C@@H]([NH2+]CCC[N@H+]1C[C@H](C)C[C@H](C)C1)[C@H](c1ccccc1)N1CCOCC1 ZINC000480677184 502639598 /nfs/dbraw/zinc/63/95/98/502639598.db2.gz PDAWTBPQJXECQY-ADYITMSISA-N 2 0 373.585 3.406 20 0 FGADRP C[NH+](C)CC1CC[NH+](Cc2nc3ccc(Br)cc3o2)CC1 ZINC000463083624 502687964 /nfs/dbraw/zinc/68/79/64/502687964.db2.gz HBJDWMRYPBCSNE-UHFFFAOYSA-N 2 0 352.276 3.364 20 0 FGADRP CCCC[N@H+](CC)Cc1cccc(CNC(=O)N2CC[C@@H](C[NH+](C)C)C2)c1 ZINC000484717933 502718963 /nfs/dbraw/zinc/71/89/63/502718963.db2.gz YYDGRMDLDWMJDM-NRFANRHFSA-N 2 0 374.573 3.402 20 0 FGADRP Cc1nc2ccccc2n1CCCCC[N@@H+]1CCO[C@]2(CCO[C@H]2C)C1 ZINC000463210964 502719872 /nfs/dbraw/zinc/71/98/72/502719872.db2.gz OQMDYGHVFYIERG-LAUBAEHRSA-N 2 0 357.498 3.395 20 0 FGADRP CC[N@@H+]1C[C@H](C)N(C(=O)N[C@H](C)[C@H]2CC[NH+](Cc3ccccc3)C2)C[C@@H]1C ZINC000488558966 502751021 /nfs/dbraw/zinc/75/10/21/502751021.db2.gz MYPUKZPMZAWSLN-HUUJSLGLSA-N 2 0 372.557 3.021 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@H](C)N2CCc3ccccc3C2)[C@@H](C)C1 ZINC000481104932 502754745 /nfs/dbraw/zinc/75/47/45/502754745.db2.gz JRFQNUKSULSZOH-MZKRTTBSSA-N 2 0 373.585 3.160 20 0 FGADRP C[C@@H]1CCC[C@@H]([NH2+]CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)[C@H]1C ZINC000481185796 502777523 /nfs/dbraw/zinc/77/75/23/502777523.db2.gz XFUJTAWTYGZBAU-LVCYWYKZSA-N 2 0 357.542 3.313 20 0 FGADRP C[NH+]1CCN(Cc2ccc(C[NH2+][C@@H]3CCCC[C@@H]3[C@@H]3CCOC3)cc2)CC1 ZINC000474049477 502790288 /nfs/dbraw/zinc/79/02/88/502790288.db2.gz YXYPEWLMUIWVMJ-DNVJHFABSA-N 2 0 371.569 3.119 20 0 FGADRP CC(C)[NH+](CCCNC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(C)C ZINC000470487087 502792541 /nfs/dbraw/zinc/79/25/41/502792541.db2.gz ONEMSDCOOQJRCB-HXUWFJFHSA-N 2 0 360.546 3.069 20 0 FGADRP C[NH+](C)[C@@H](CNC(=O)C[NH2+][C@H]1CCCCC12CCCC2)c1ccccc1 ZINC000463444984 502807942 /nfs/dbraw/zinc/80/79/42/502807942.db2.gz OWHXBEWJMSQRGH-PMACEKPBSA-N 2 0 357.542 3.498 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1CCCNC(=O)N[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000504877569 502817783 /nfs/dbraw/zinc/81/77/83/502817783.db2.gz VNVYHWIEBXWJKG-TZIWHRDSSA-N 2 0 372.557 3.215 20 0 FGADRP C[C@@H](CNC(=O)N1CC[N@@H+](C2CCC2)C[C@@H](C)C1)[NH+](C)Cc1ccccc1 ZINC000488961080 502847791 /nfs/dbraw/zinc/84/77/91/502847791.db2.gz OAAJDCHGKPVWQA-MOPGFXCFSA-N 2 0 372.557 3.023 20 0 FGADRP CCC[N@@H+]1CCC[C@H]1CNCc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000513095534 502850336 /nfs/dbraw/zinc/85/03/36/502850336.db2.gz OUJBEILOODPDLG-NRFANRHFSA-N 2 0 358.574 3.181 20 0 FGADRP Cc1ccc(NC(=O)CC[C@@H]2CCCC[N@@H+]2C)cc1NC(=O)CC[NH+](C)C ZINC000505234486 502874652 /nfs/dbraw/zinc/87/46/52/502874652.db2.gz XCGSFQJZEJJKSJ-SFHVURJKSA-N 2 0 374.529 3.088 20 0 FGADRP C[C@@H]1C[C@H]1[N@@H+]1CCN(C(=O)NCCCCC[NH+]2CCCCC2)C[C@@H](C)C1 ZINC000489152640 502888538 /nfs/dbraw/zinc/88/85/38/502888538.db2.gz YHJHNQIIMZXVQX-XUVXKRRUSA-N 2 0 364.578 3.014 20 0 FGADRP CC[NH+]1CCN(c2ccccc2C[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000505339161 502891054 /nfs/dbraw/zinc/89/10/54/502891054.db2.gz SURGZRZOVDILDQ-UHFFFAOYSA-N 2 0 364.537 3.151 20 0 FGADRP C[NH+](C)[C@@H](CNC(=O)c1cccc(C[NH+]2CCCC2)c1)Cc1ccccc1 ZINC000513351688 502911828 /nfs/dbraw/zinc/91/18/28/502911828.db2.gz SWJONQMQCRNPEY-JOCHJYFZSA-N 2 0 365.521 3.185 20 0 FGADRP Cn1ncc(C[N@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)c1C(F)(F)F ZINC000501029303 502916281 /nfs/dbraw/zinc/91/62/81/502916281.db2.gz RCWYTYIQWFGFNV-UHFFFAOYSA-N 2 0 367.419 3.182 20 0 FGADRP C[C@@H]1CCC[C@H](C)N1C(=O)C[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501032504 502917207 /nfs/dbraw/zinc/91/72/07/502917207.db2.gz PQKKDUCYZBFHPK-HDICACEKSA-N 2 0 358.530 3.019 20 0 FGADRP C(C[NH+]1CCC[C@]2(CCCOC2)C1)C[N@@H+]1CCC[C@]2(CCCOC2)C1 ZINC000489399850 502948522 /nfs/dbraw/zinc/94/85/22/502948522.db2.gz ZGMHMTPGPJNAOX-SFTDATJTSA-N 2 0 350.547 3.162 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)N1CCC(C[NH+](C)C)CC1)c1ccsc1 ZINC000501166724 502952971 /nfs/dbraw/zinc/95/29/71/502952971.db2.gz UCGNDTFVEAHPFJ-SFHVURJKSA-N 2 0 366.575 3.114 20 0 FGADRP C[N@@H+]1C[C@H](NC(=O)c2cccc(C[NH+]3CCCC3)c2)[C@H](c2ccccc2)C1 ZINC000497417607 502953884 /nfs/dbraw/zinc/95/38/84/502953884.db2.gz ODNLVOSBJUMSET-VXKWHMMOSA-N 2 0 363.505 3.110 20 0 FGADRP C[C@H]1C[C@@H](CC[NH2+]Cc2ccc3c(c2)nnn3C)C[N@@H+]1Cc1ccccc1 ZINC000513504707 502954440 /nfs/dbraw/zinc/95/44/40/502954440.db2.gz FACIIPMIVNGSSY-FXAWDEMLSA-N 2 0 363.509 3.359 20 0 FGADRP c1ccc(N2CC[NH+](CCCN3CCC[C@@H]([NH+]4CCCC4)CC3)CC2)cc1 ZINC000509694615 502969719 /nfs/dbraw/zinc/96/97/19/502969719.db2.gz DKVNSALNPODSJF-HSZRJFAPSA-N 2 0 370.585 3.149 20 0 FGADRP C[C@H](C[NH+]1CCCCC1)NC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000489491889 502971468 /nfs/dbraw/zinc/97/14/68/502971468.db2.gz FOQNXONCUOSHIS-ZVDOUQERSA-N 2 0 372.557 3.071 20 0 FGADRP CC[NH+]1CCN(c2ccc(C[NH2+][C@H](c3ccc(F)cn3)C(C)C)cn2)CC1 ZINC000497533095 502981189 /nfs/dbraw/zinc/98/11/89/502981189.db2.gz ACWUZDXOJYZIKH-NRFANRHFSA-N 2 0 371.504 3.245 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CCc1ccc(Cl)s1 ZINC000505802211 502989273 /nfs/dbraw/zinc/98/92/73/502989273.db2.gz NXZGUTGGUPTDTC-HNNXBMFYSA-N 2 0 371.978 3.209 20 0 FGADRP C[NH+](C)[C@@H](CNC(=O)NCC(C)(C)[NH+]1CCCCC1)C1CCCCC1 ZINC000501375710 502996207 /nfs/dbraw/zinc/99/62/07/502996207.db2.gz GBNMULDINAVEOR-SFHVURJKSA-N 2 0 352.567 3.061 20 0 FGADRP C[N@@H+]1CC[C@H]([NH2+]CCOc2cccc(Br)c2)[C@H]2CCC[C@@H]21 ZINC000513673505 502997536 /nfs/dbraw/zinc/99/75/36/502997536.db2.gz SMDFSZILBPXABR-IKGGRYGDSA-N 2 0 353.304 3.290 20 0 FGADRP CC1CCN(C(=O)C[NH+]2CCC(C[N@H+](C)Cc3ccccc3)CC2)CC1 ZINC000489652585 503005346 /nfs/dbraw/zinc/00/53/46/503005346.db2.gz XHEKGYKDSRRKBM-UHFFFAOYSA-N 2 0 357.542 3.089 20 0 FGADRP CC(C)CCNC(=O)[C@@H](C)[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000489676844 503008665 /nfs/dbraw/zinc/00/86/65/503008665.db2.gz IXHLHTAMHQWJSL-LJQANCHMSA-N 2 0 359.558 3.381 20 0 FGADRP CCc1cc(OC)ccc1C[NH2+]Cc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000501428485 503008807 /nfs/dbraw/zinc/00/88/07/503008807.db2.gz ZRUWLUXHHUGYLU-UHFFFAOYSA-N 2 0 367.537 3.295 20 0 FGADRP C[NH+]1CCN(CCC[NH2+]CC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000501470597 503015109 /nfs/dbraw/zinc/01/51/09/503015109.db2.gz IUCZMLGOGLYUDG-UHFFFAOYSA-N 2 0 373.491 3.324 20 0 FGADRP Cn1cc2c(n1)CCC[C@@H]2[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000509945850 503016373 /nfs/dbraw/zinc/01/63/73/503016373.db2.gz VCLXSMUHTJMXKE-FQEVSTJZSA-N 2 0 354.498 3.062 20 0 FGADRP C[C@@H](CNC(=O)NCCCC[N@@H+]1CCCC[C@H]1C)[NH+]1CCCC[C@H]1C ZINC000501491972 503020082 /nfs/dbraw/zinc/02/00/82/503020082.db2.gz QCBQQSFKEFZZBO-QRVBRYPASA-N 2 0 352.567 3.203 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1CCNC(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000501548618 503034321 /nfs/dbraw/zinc/03/43/21/503034321.db2.gz ZPJQUTFCAUIHRI-IAGOWNOFSA-N 2 0 364.559 3.059 20 0 FGADRP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CCc4c3cccc4F)cn2)CC1 ZINC000513868782 503039350 /nfs/dbraw/zinc/03/93/50/503039350.db2.gz AUBQJYQRGYDRPL-HXUWFJFHSA-N 2 0 354.473 3.140 20 0 FGADRP C[N@H+](CCCNC(=O)N1CCC([NH+]2CCCCC2)CC1)C1CCCCC1 ZINC000501579651 503042815 /nfs/dbraw/zinc/04/28/15/503042815.db2.gz MRDNNNFZZMCNHI-UHFFFAOYSA-N 2 0 364.578 3.301 20 0 FGADRP CCCC[N@H+](C)CC1CC[NH+](C[C@@H](O)COc2ccc(C)cc2C)CC1 ZINC000510088518 503046414 /nfs/dbraw/zinc/04/64/14/503046414.db2.gz WLGKILJNKNUQRE-OAQYLSRUSA-N 2 0 362.558 3.487 20 0 FGADRP Cc1ccc(NC(=O)Cc2nc(CN3CCCC[C@H]3CC[NH3+])cs2)cc1 ZINC000489904583 503060887 /nfs/dbraw/zinc/06/08/87/503060887.db2.gz FJGRDHOYWIGTFP-SFHVURJKSA-N 2 0 372.538 3.336 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)NCCC[NH+]1CCC(C)CC1)c1ccco1 ZINC000514030367 503071852 /nfs/dbraw/zinc/07/18/52/503071852.db2.gz FDKAQUVZUUHCKB-SFHVURJKSA-N 2 0 364.534 3.084 20 0 FGADRP CC(C)[NH+]1CCN(CCC[NH2+][C@@H](C)c2nc(C(F)(F)F)cs2)CC1 ZINC000501868785 503098122 /nfs/dbraw/zinc/09/81/22/503098122.db2.gz FZUAFNWOXJKMOD-ZDUSSCGKSA-N 2 0 364.481 3.229 20 0 FGADRP CC[NH+]1CCC(NC(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)CC1 ZINC000514158527 503101638 /nfs/dbraw/zinc/10/16/38/503101638.db2.gz SAFBUHLUNIEOBM-UHFFFAOYSA-N 2 0 372.557 3.346 20 0 FGADRP C[N@H+](CCNC(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1)C1CCCCC1 ZINC000514205763 503112312 /nfs/dbraw/zinc/11/23/12/503112312.db2.gz GKSOZWYOPCMIRS-OAQYLSRUSA-N 2 0 372.557 3.387 20 0 FGADRP CC[C@H](C)[NH2+][C@@H](CNC(=O)NCC[C@@H](C)[NH+]1CCCCC1)c1ccco1 ZINC000501942315 503112503 /nfs/dbraw/zinc/11/25/03/503112503.db2.gz LGSDSSUTSANQNF-KSZLIROESA-N 2 0 364.534 3.273 20 0 FGADRP C[C@]1(C(=O)NCC2CC[NH+](Cc3ccccc3Cl)CC2)CCCC[NH2+]1 ZINC000510475281 503122625 /nfs/dbraw/zinc/12/26/25/503122625.db2.gz VCMMUYPPCKMNNO-HXUWFJFHSA-N 2 0 363.933 3.200 20 0 FGADRP CC[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000502030967 503130024 /nfs/dbraw/zinc/13/00/24/503130024.db2.gz IGUNVUUIYOVTDW-NJDAHSKKSA-N 2 0 357.542 3.442 20 0 FGADRP Cc1nccn1C[C@H](C)CNC(=O)N[C@@H](C)[C@@H](c1ccccc1C)[NH+](C)C ZINC000490212249 503132214 /nfs/dbraw/zinc/13/22/14/503132214.db2.gz KIPYFHGPSJXXEA-SYNHAJSKSA-N 2 0 371.529 3.127 20 0 FGADRP Cc1ccccc1[C@H]([C@H](C)NC(=O)c1cccc(C[NH+](C)C)c1)[NH+](C)C ZINC000510521249 503132557 /nfs/dbraw/zinc/13/25/57/503132557.db2.gz IAVFAIXFRLRBFZ-UWJYYQICSA-N 2 0 353.510 3.478 20 0 FGADRP CCC[NH+]1CCC(CNC(=O)NC[C@H]([NH2+][C@H](C)CC)c2ccco2)CC1 ZINC000490219158 503134163 /nfs/dbraw/zinc/13/41/63/503134163.db2.gz WBPUFZWBJHXGLZ-AEFFLSMTSA-N 2 0 364.534 3.130 20 0 FGADRP CSC1(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)CC[NH+](C)CC1 ZINC000514636626 503154827 /nfs/dbraw/zinc/15/48/27/503154827.db2.gz AUUGJGLYCCPVNS-QUCCMNQESA-N 3 0 361.599 3.314 20 0 FGADRP CCC[N@H+](CC)C[C@H](C)NC(=O)N[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000514640595 503155414 /nfs/dbraw/zinc/15/54/14/503155414.db2.gz VXRGKNXVPSUQJA-QKNQBKEWSA-N 2 0 374.573 3.459 20 0 FGADRP CCCC[NH+]1CCC(NC(=O)N2CC[NH+](CCC(C)(C)C)CC2)CC1 ZINC000502231900 503167089 /nfs/dbraw/zinc/16/70/89/503167089.db2.gz NJBBNQCEPUGPMR-UHFFFAOYSA-N 2 0 352.567 3.014 20 0 FGADRP CC[NH+]1CCC(CCNC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)CC1 ZINC000498405173 503180409 /nfs/dbraw/zinc/18/04/09/503180409.db2.gz ZBWZYTMSMHHQPR-NQIIRXRSSA-N 2 0 372.557 3.071 20 0 FGADRP c1nc([C@H]2CCC[N@@H+](Cc3ccc4c(c3)OCCO4)C2)n2c1CCCC2 ZINC000502344484 503183638 /nfs/dbraw/zinc/18/36/38/503183638.db2.gz IGOOAYMUHXBKQP-KRWDZBQOSA-N 2 0 353.466 3.370 20 0 FGADRP CCC[N@H+](CC)C[C@H](C)NC(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000514764117 503186851 /nfs/dbraw/zinc/18/68/51/503186851.db2.gz ZKHDNOWHWMKTDD-DLBZAZTESA-N 2 0 366.575 3.305 20 0 FGADRP C[C@H](C(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1)[NH+]1CCCCCC1 ZINC000510764171 503188552 /nfs/dbraw/zinc/18/85/52/503188552.db2.gz GQSYIDSPZQBDID-LJQANCHMSA-N 2 0 357.542 3.374 20 0 FGADRP Cn1nccc1[C@H]1CCCC[N@@H+]1CCCN1CCN(c2ccccc2)CC1 ZINC000510784559 503191712 /nfs/dbraw/zinc/19/17/12/503191712.db2.gz WEGCVZJFMTXART-JOCHJYFZSA-N 2 0 367.541 3.159 20 0 FGADRP Cc1cnc2cc(C(=O)N3C[C@@H]4CC[N@H+](Cc5ccccc5)C[C@@H]4C3)ccn12 ZINC000514797361 503195453 /nfs/dbraw/zinc/19/54/53/503195453.db2.gz XKZITLZSWLQELG-LEWJYISDSA-N 2 0 374.488 3.237 20 0 FGADRP CC[NH+]1CCN(c2ccc(C[NH2+]Cc3ccc4c(c3)CCCC4)cn2)CC1 ZINC000490596423 503200885 /nfs/dbraw/zinc/20/08/85/503200885.db2.gz XHQZOXSGOWOZPG-UHFFFAOYSA-N 2 0 364.537 3.392 20 0 FGADRP CCc1ccc([C@H](CNC(=O)c2ccccc2C[NH+](C)C)[NH+](C)C)cc1 ZINC000498599009 503223527 /nfs/dbraw/zinc/22/35/27/503223527.db2.gz VFANZLGRGBQAHM-NRFANRHFSA-N 2 0 353.510 3.343 20 0 FGADRP CC1CC[NH+](CCCCNC(=O)NCc2ccc(C[NH+](C)C)cc2)CC1 ZINC000502777819 503269620 /nfs/dbraw/zinc/26/96/20/503269620.db2.gz YREZHNZEKULZRV-UHFFFAOYSA-N 2 0 360.546 3.060 20 0 FGADRP CC(C)C[NH+]1CCC(NC(=O)NCCCC[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000502829735 503282320 /nfs/dbraw/zinc/28/23/20/503282320.db2.gz RJOJBZBEPWZWFD-RTBURBONSA-N 2 0 366.594 3.164 20 0 FGADRP c1ccc([C@@H](C[NH+]2CCCC2)Nc2ccnc(N3CCCCC3)n2)cc1 ZINC000498910260 503289998 /nfs/dbraw/zinc/28/99/98/503289998.db2.gz KWOGDWKPRVNJTO-LJQANCHMSA-N 2 0 351.498 3.138 20 0 FGADRP CC[N@@H+]1CCC[C@H](CNC(=O)N[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000507405858 503295042 /nfs/dbraw/zinc/29/50/42/503295042.db2.gz LVBYZIITWBZXQH-CEWLAPEOSA-N 2 0 372.557 3.071 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N1CC[NH+](C2CCC2)CC1)c1ccsc1 ZINC000502916397 503307802 /nfs/dbraw/zinc/30/78/02/503307802.db2.gz FVJBKDUHAFHMHD-GOSISDBHSA-N 2 0 364.559 3.011 20 0 FGADRP CC[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12)[C@@H](O)C(F)(F)F ZINC000507510239 503311507 /nfs/dbraw/zinc/31/15/07/503311507.db2.gz MRMQYPRPESFUJT-UYTYNIKBSA-N 2 0 356.432 3.188 20 0 FGADRP C[C@@H]1C[C@H](CCNC(=O)NCC[NH+]2CCCCC2)C[N@@H+]1Cc1ccccc1 ZINC000511441899 503323232 /nfs/dbraw/zinc/32/32/32/503323232.db2.gz VMAJHGOKSKTSDQ-CTNGQTDRSA-N 2 0 372.557 3.072 20 0 FGADRP C[C@H](CNC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)[NH+](C)C1CC1 ZINC000511562920 503343636 /nfs/dbraw/zinc/34/36/36/503343636.db2.gz XFXRSVABDWITCM-YLJYHZDGSA-N 2 0 372.557 3.069 20 0 FGADRP CCN(CC[NH+]1CCCCCC1)C(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000503090221 503344519 /nfs/dbraw/zinc/34/45/19/503344519.db2.gz OEGVYRBCCVGHLM-UHFFFAOYSA-N 2 0 352.567 3.016 20 0 FGADRP CC(C)[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)CC(=O)N(C)Cc2ccccc2Cl)C1 ZINC000515480695 503347310 /nfs/dbraw/zinc/34/73/10/503347310.db2.gz UFNANGDMONGKON-IRXDYDNUSA-N 2 0 365.949 3.397 20 0 FGADRP Cc1ccc([C@H](CNC(=O)N(C)CC[NH+](C(C)C)C(C)C)[NH+](C)C)cc1 ZINC000503214205 503368341 /nfs/dbraw/zinc/36/83/41/503368341.db2.gz CBOSSUAWJKUWLX-FQEVSTJZSA-N 2 0 362.562 3.358 20 0 FGADRP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH2+][C@H]2CCCC2(C)C)CC1 ZINC000492873220 503389606 /nfs/dbraw/zinc/38/96/06/503389606.db2.gz LZVOOSLPVSKRPZ-FQEVSTJZSA-N 2 0 357.542 3.198 20 0 FGADRP CCC[N@@H+]1CCC[C@H]1CNC(=O)N1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000511921440 503417009 /nfs/dbraw/zinc/41/70/09/503417009.db2.gz GUNXHDDRHJONMW-UFYCRDLUSA-N 2 0 364.578 3.157 20 0 FGADRP C[NH+]1CCC(C)(CNC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000508059738 503421147 /nfs/dbraw/zinc/42/11/47/503421147.db2.gz DJIJZGRFAJMKAH-UHFFFAOYSA-N 2 0 372.557 3.204 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CCSc1ccccc1 ZINC000499511283 503422072 /nfs/dbraw/zinc/42/20/72/503422072.db2.gz ZUMGOTACBZSGIA-GOSISDBHSA-N 2 0 363.571 3.043 20 0 FGADRP CC[C@@H]1C[C@@H](C[NH2+]CCCC[NH+]2CCN(Cc3ccccc3)CC2)CCO1 ZINC000503575875 503439834 /nfs/dbraw/zinc/43/98/34/503439834.db2.gz LAOUONKRKHHKGO-XZOQPEGZSA-N 2 0 373.585 3.379 20 0 FGADRP CN(C)Cc1cnc(C[NH2+]CC2CC[NH+](Cc3cccs3)CC2)s1 ZINC000512083376 503453039 /nfs/dbraw/zinc/45/30/39/503453039.db2.gz JYQGVOLRYKBNOH-UHFFFAOYSA-N 2 0 364.584 3.268 20 0 FGADRP CCC[N@@H+]1CC[C@@H](CNC(=O)NCC2([NH+]3CCCCC3)CCCCC2)C1 ZINC000516177626 503463626 /nfs/dbraw/zinc/46/36/26/503463626.db2.gz PZBVFUPCZPGXQU-IBGZPJMESA-N 2 0 364.578 3.206 20 0 FGADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)N1CC[NH+](C2CCCC2)CC1)c1ccccc1 ZINC000503737403 503466824 /nfs/dbraw/zinc/46/68/24/503466824.db2.gz PEPXABHAGSMGPQ-GOSISDBHSA-N 2 0 372.557 3.386 20 0 FGADRP CC(C)[NH+]1CCN(C(=O)NCC2([NH2+][C@@H](C)c3ccccc3)CCCC2)CC1 ZINC000503740884 503467808 /nfs/dbraw/zinc/46/78/08/503467808.db2.gz QVZHVKWRJPKNJD-IBGZPJMESA-N 2 0 372.557 3.386 20 0 FGADRP C[C@H]1[C@H](NC(=O)c2ccccc2C[NH+](C)C)CC[N@@H+]1Cc1ccccc1 ZINC000494067935 503482981 /nfs/dbraw/zinc/48/29/81/503482981.db2.gz CUOWMJMGYFKGQH-LAUBAEHRSA-N 2 0 351.494 3.141 20 0 FGADRP C[C@@H]1CCN(C(=O)CC[C@H]2CCCC[NH+]2C)CC[N@@H+]1Cc1ccccc1 ZINC000499887297 503502574 /nfs/dbraw/zinc/50/25/74/503502574.db2.gz LFIYLLMHEZDQIM-TZIWHRDSSA-N 2 0 357.542 3.374 20 0 FGADRP CC(C)[NH+](CCN(C)C(=O)NCC(C)(C)[N@@H+]1CCC[C@H](C)C1)C(C)C ZINC000504008639 503509069 /nfs/dbraw/zinc/50/90/69/503509069.db2.gz IWNWRSQRHFYLDD-SFHVURJKSA-N 2 0 354.583 3.257 20 0 FGADRP C[C@@H]1CCC[C@@](CNC(=O)NCc2ccc(C[NH+](C)C)cc2)([NH+](C)C)C1 ZINC000516560583 503536050 /nfs/dbraw/zinc/53/60/50/503536050.db2.gz TXZHOMCPMNZCJH-DYESRHJHSA-N 2 0 360.546 3.058 20 0 FGADRP CC(C)[NH+]1CCN(c2cccc(NC(=O)C[N@H+]3[C@H](C)CC[C@@H]3C)c2)CC1 ZINC000504207398 503538626 /nfs/dbraw/zinc/53/86/26/503538626.db2.gz IKDKIRJGOBXUHC-HDICACEKSA-N 2 0 358.530 3.028 20 0 FGADRP CC[N@@H+]1CCCN(C(=O)NCC[C@H]2C[C@@H](C)[NH+](Cc3ccccc3)C2)CC1 ZINC000512423675 503545893 /nfs/dbraw/zinc/54/58/93/503545893.db2.gz JBSHAEHWHNHCDT-CTNGQTDRSA-N 2 0 372.557 3.024 20 0 FGADRP COc1ccc2oc(C[NH+]3CCC(CC[NH+]4CCOCC4)CC3)cc2c1 ZINC000512431951 503548850 /nfs/dbraw/zinc/54/88/50/503548850.db2.gz BWHBZEKHTWMDKG-UHFFFAOYSA-N 2 0 358.482 3.376 20 0 FGADRP COc1ccc2c(c1)OC[C@H]([NH2+][C@@H](C)[C@H]1CC[N@H+](Cc3ccccc3)C1)C2 ZINC000508718615 503550489 /nfs/dbraw/zinc/55/04/89/503550489.db2.gz OAYQZDJIDHIINS-DZFGPLHGSA-N 2 0 366.505 3.499 20 0 FGADRP C[C@@H](O)C[C@@H]1CCCCC[N@@H+]1CCC[NH+]1CCCCC[C@H]1C[C@H](C)O ZINC000512439322 503551094 /nfs/dbraw/zinc/55/10/94/503551094.db2.gz QAMQONNZYSBDCY-WOZUAGRISA-N 2 0 354.579 3.408 20 0 FGADRP O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000504325286 503556542 /nfs/dbraw/zinc/55/65/42/503556542.db2.gz OUWSMFPEHXITGM-LEWJYISDSA-N 2 0 370.541 3.099 20 0 FGADRP CC1(C)CC([NH2+]Cc2c[nH]nc2-c2ccc3c(c2)OCO3)CC(C)(C)[NH2+]1 ZINC000494583040 503568459 /nfs/dbraw/zinc/56/84/59/503568459.db2.gz CQRXADUHQVQIFE-UHFFFAOYSA-N 2 0 356.470 3.204 20 0 FGADRP Cn1c2ccc(C[NH+]3CCC(CCC[NH+]4CCCC4)CC3)cc2oc1=O ZINC000508857503 503580329 /nfs/dbraw/zinc/58/03/29/503580329.db2.gz PYPRKLCTKXQIFQ-UHFFFAOYSA-N 2 0 357.498 3.220 20 0 FGADRP C/C=C\c1ccc(OC[C@H](O)C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)c(OC)c1 ZINC000512543066 503580473 /nfs/dbraw/zinc/58/04/73/503580473.db2.gz YXOAXMKONUTDEG-NICLLRKGSA-N 2 0 374.525 3.025 20 0 FGADRP CC(C)[N@@H+]1[C@@H]2CC[C@H]1CN(C(=O)N[C@H](C)[C@@H](c1ccccc1)[NH+](C)C)CC2 ZINC000508869737 503583547 /nfs/dbraw/zinc/58/35/47/503583547.db2.gz YWTQARDQAIWNFM-PBASOCQRSA-N 2 0 372.557 3.335 20 0 FGADRP Cc1ccccc1[C@H]([C@@H](C)NC(=O)NCC1(C)CC[NH+](C)CC1)[NH+](C)C ZINC000508891138 503590073 /nfs/dbraw/zinc/59/00/73/503590073.db2.gz ARUIOSUCCZJVOE-MJGOQNOKSA-N 2 0 360.546 3.017 20 0 FGADRP C[C@H](NC(=O)N1CCC(C[NH+]2CCCC2)CC1)[C@H](c1ccccc1)[NH+](C)C ZINC000508901102 503594930 /nfs/dbraw/zinc/59/49/30/503594930.db2.gz UEWPCOAGWWMEDW-GHTZIAJQSA-N 2 0 372.557 3.195 20 0 FGADRP CCN(CCC[NH+]1CCCC1)C(=O)N[C@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC000508905451 503596485 /nfs/dbraw/zinc/59/64/85/503596485.db2.gz KXSAPUOXNAFUGD-QUCCMNQESA-N 2 0 360.546 3.195 20 0 FGADRP OC[C@@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+][C@@H]1CCc2ccccc2OC1 ZINC000494745249 503603151 /nfs/dbraw/zinc/60/31/51/503603151.db2.gz KQLGBZXHYUURLB-YADHBBJMSA-N 2 0 366.505 3.127 20 0 FGADRP C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N2CC[C@H](C)[C@H](C[NH3+])C2)C1 ZINC000582715079 506382463 /nfs/dbraw/zinc/38/24/63/506382463.db2.gz LAQDIDLMORPEFC-LVCYWYKZSA-N 2 0 372.557 3.045 20 0 FGADRP CCC[N@H+](CC(=O)NC[C@@H](c1ccc(OC)cc1)[NH+]1CCCCC1)C1CC1 ZINC000509051836 503631060 /nfs/dbraw/zinc/63/10/60/503631060.db2.gz CIOMJKIHCADNKA-NRFANRHFSA-N 2 0 373.541 3.213 20 0 FGADRP C[C@@H]([NH2+]CC1CC[NH2+]CC1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000516964551 503632637 /nfs/dbraw/zinc/63/26/37/503632637.db2.gz PVWOVASIRRICLW-OAHLLOKOSA-N 2 0 350.528 3.053 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@@H](C)c1ccc(Cl)s1 ZINC000495118873 503674784 /nfs/dbraw/zinc/67/47/84/503674784.db2.gz JCBBIVCBZMNFFM-LSDHHAIUSA-N 2 0 371.978 3.380 20 0 FGADRP CCC[NH+]1CCN(c2ccccc2C[N@H+](C)[C@@H]2CCN(C)[C@@H](C)C2)CC1 ZINC000536681032 503678605 /nfs/dbraw/zinc/67/86/05/503678605.db2.gz JLTLTJORUSOTNN-PZJWPPBQSA-N 2 0 358.574 3.133 20 0 FGADRP CC(C)C[N@@H+]1CCCC[C@@H]1CN[C@@H]1CC[NH+](Cc2ccccn2)C[C@@H]1C ZINC000540146762 503688249 /nfs/dbraw/zinc/68/82/49/503688249.db2.gz KZFURICYIWOBRP-KSEOMHKRSA-N 2 0 358.574 3.392 20 0 FGADRP CC[C@H](O)[C@H]1CCCC[NH+]1CCCCC[N@H+]1CCCC[C@H]1[C@@H](O)CC ZINC000532990410 503691988 /nfs/dbraw/zinc/69/19/88/503691988.db2.gz CVHNEGVOJJPVBD-WOZUAGRISA-N 2 0 354.579 3.408 20 0 FGADRP C[C@H]1CC[N@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CC12CCC2 ZINC000536719769 503695188 /nfs/dbraw/zinc/69/51/88/503695188.db2.gz ZZFTWYIGODCOCU-IBGZPJMESA-N 2 0 369.553 3.411 20 0 FGADRP CC(C)[C@@H]1CN(C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000529804386 503707729 /nfs/dbraw/zinc/70/77/29/503707729.db2.gz ONGOGJAQMXGBQP-JBACZVJFSA-N 2 0 357.542 3.086 20 0 FGADRP CC(C)[C@@H]([NH2+]C[C@@H](c1cccs1)N1CCN(C)CC1)c1cccnc1 ZINC000540260724 503726547 /nfs/dbraw/zinc/72/65/47/503726547.db2.gz KASZBQVPVNKNPO-AZUAARDMSA-N 2 0 358.555 3.419 20 0 FGADRP C[C@@H]([NH2+]CCc1cnc(C2CC2)nc1)c1cccc(OCC[NH+](C)C)c1 ZINC000536832825 503735868 /nfs/dbraw/zinc/73/58/68/503735868.db2.gz KVUPKTYLCKICDB-MRXNPFEDSA-N 2 0 354.498 3.188 20 0 FGADRP CC(C)[N@H+](C)Cc1cccc(C[NH2+]C2CCN(c3cnccn3)CC2)c1 ZINC000536864367 503743188 /nfs/dbraw/zinc/74/31/88/503743188.db2.gz SKIGAWZLORCFRB-UHFFFAOYSA-N 2 0 353.514 3.075 20 0 FGADRP CC[NH+]1CCC(C[NH2+][C@H](C)CC(=O)N(C)Cc2cccc(Cl)c2)CC1 ZINC000517425924 503743240 /nfs/dbraw/zinc/74/32/40/503743240.db2.gz XVJABMLLJLJIJN-MRXNPFEDSA-N 2 0 365.949 3.399 20 0 FGADRP O=C(NC[C@@H]1CC[NH+]1C1CCCC1)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000530023200 503796332 /nfs/dbraw/zinc/79/63/32/503796332.db2.gz CRYWQYUSHJGCMN-RXVVDRJESA-N 2 0 373.516 3.171 20 0 FGADRP C[C@H](C(=O)N(C)CC1CC[NH+](C)CC1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000517680550 503805905 /nfs/dbraw/zinc/80/59/05/503805905.db2.gz FCAPCWIOABYQIJ-LJQANCHMSA-N 2 0 371.569 3.130 20 0 FGADRP CCC[C@@H]([NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1)c1cccnc1 ZINC000543593247 503823844 /nfs/dbraw/zinc/82/38/44/503823844.db2.gz MGOCUVKLRVHYAR-OAQYLSRUSA-N 2 0 353.514 3.120 20 0 FGADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)NC1CC(C)(c2ccccc2)C1 ZINC000546659102 503828285 /nfs/dbraw/zinc/82/82/85/503828285.db2.gz SHECMOHCLBARDH-UHFFFAOYSA-N 2 0 374.573 3.022 20 0 FGADRP COC(=O)c1coc(C[NH2+]CC[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)c1 ZINC000543634401 503835261 /nfs/dbraw/zinc/83/52/61/503835261.db2.gz ZCCQXKCFWIZPEJ-FUHWJXTLSA-N 2 0 356.466 3.457 20 0 FGADRP C[N@H+]1CC=C(C[NH2+]Cc2ccc(OC(F)F)c(Br)c2)CC1 ZINC000540644183 503843359 /nfs/dbraw/zinc/84/33/59/503843359.db2.gz DJDXRIKAZDMYMG-UHFFFAOYSA-N 2 0 361.230 3.402 20 0 FGADRP CC(C)[C@H](C(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1)[NH+]1CCCCC1 ZINC000517812455 503843599 /nfs/dbraw/zinc/84/35/99/503843599.db2.gz XRWRZCVCVDELNE-LEWJYISDSA-N 2 0 363.590 3.467 20 0 FGADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)NCC(C)(C)[NH+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000517887972 503858223 /nfs/dbraw/zinc/85/82/23/503858223.db2.gz MUTYBTUTBOIHLO-CEXWTWQISA-N 2 0 366.594 3.163 20 0 FGADRP O=C(NCc1ccccc1C[NH+]1CCCC1)NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000527637319 503869100 /nfs/dbraw/zinc/86/91/00/503869100.db2.gz YLKIMPLSUOJLGR-NRFANRHFSA-N 2 0 370.541 3.099 20 0 FGADRP CCC1(CC)[C@H]([NH2+][C@H](CN2CC[NH+](C)CC2)c2ccccc2)C[C@H]1OC ZINC000537295234 503872189 /nfs/dbraw/zinc/87/21/89/503872189.db2.gz KAFYESVPNXTHLL-NJDAHSKKSA-N 2 0 359.558 3.158 20 0 FGADRP CC(C)C[C@H]([NH2+][C@H](C)c1cccc(C(F)(F)F)c1)C(=O)NCC[NH+](C)C ZINC000540747231 503877088 /nfs/dbraw/zinc/87/70/88/503877088.db2.gz MZONEOGFOHOTMO-PBHICJAKSA-N 2 0 373.463 3.449 20 0 FGADRP OCCN1CC[NH+](CCCC[NH2+][C@H]2CCC[C@@H](c3ccccc3)CC2)CC1 ZINC000527659962 503881527 /nfs/dbraw/zinc/88/15/27/503881527.db2.gz NKVRPRSAKUROOD-PKTZIBPZSA-N 2 0 373.585 3.083 20 0 FGADRP C[C@H]1C[N@H+](CCOc2ccc(CC[NH2+]CC3=CCCOC3)cc2)C[C@H]1C ZINC000537351493 503887063 /nfs/dbraw/zinc/88/70/63/503887063.db2.gz JBOOKACWQFNKMQ-KDURUIRLSA-N 2 0 358.526 3.132 20 0 FGADRP Cc1cc(C)n(-c2ccc(C[NH+]3CCC(CO[C@@H]4CC[NH2+]C4)CC3)cc2)n1 ZINC000530240755 503889206 /nfs/dbraw/zinc/88/92/06/503889206.db2.gz NFUCAFDQZUERIH-JOCHJYFZSA-N 2 0 368.525 3.080 20 0 FGADRP FC(F)(F)Oc1cccc(C[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)c1 ZINC000530240452 503890023 /nfs/dbraw/zinc/89/00/23/503890023.db2.gz LDPOXCAMHKQULA-QGZVFWFLSA-N 2 0 358.404 3.176 20 0 FGADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)N[C@H]2CC[NH+](C3CCCC3)C2)C1 ZINC000518023370 503891520 /nfs/dbraw/zinc/89/15/20/503891520.db2.gz NXLKMHWKHFNJRP-RLLQIKCJSA-N 2 0 370.541 3.138 20 0 FGADRP Clc1ccc(-n2cc(C[NH+]3CCC(CO[C@H]4CC[NH2+]C4)CC3)cn2)cc1 ZINC000530249318 503894385 /nfs/dbraw/zinc/89/43/85/503894385.db2.gz VEUXEYUMAZWTRZ-FQEVSTJZSA-N 2 0 374.916 3.116 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)NCC1(C[NH+](C)C)CCCC1)c1ccco1 ZINC000546847382 503899921 /nfs/dbraw/zinc/89/99/21/503899921.db2.gz DEOAVUYIFBXDKG-QGZVFWFLSA-N 2 0 364.534 3.084 20 0 FGADRP C[N@H+](Cc1ccccc1)CC(C)(C)NC(=O)N[C@H]1CC[NH+](C2CCCC2)C1 ZINC000533622303 503903330 /nfs/dbraw/zinc/90/33/30/503903330.db2.gz KLBYNOXWNVPICW-IBGZPJMESA-N 2 0 372.557 3.213 20 0 FGADRP C[C@H]([NH2+][C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C)c1cccc(Cl)c1 ZINC000537487863 503930667 /nfs/dbraw/zinc/93/06/67/503930667.db2.gz UDBXAMJZSOMDBD-JXFKEZNVSA-N 2 0 373.928 3.280 20 0 FGADRP C/C(=C\c1ccccc1)C[NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000518274285 503941158 /nfs/dbraw/zinc/94/11/58/503941158.db2.gz RKDDWPWQSOYUKN-CZIZESTLSA-N 2 0 350.510 3.287 20 0 FGADRP CC(C)[NH+]1CCC(NC(=O)C[NH2+][C@H](C)c2cc3cccc(F)c3o2)CC1 ZINC000518485467 503998724 /nfs/dbraw/zinc/99/87/24/503998724.db2.gz ZRZOQMFOKZVFQO-CQSZACIVSA-N 2 0 361.461 3.212 20 0 FGADRP C[N@@H+]1CC[C@H](NC(=O)N2CC[NH+](C3CCCCC3)CC2)[C@@H]1c1ccccc1 ZINC000533986799 504010182 /nfs/dbraw/zinc/01/01/82/504010182.db2.gz VISIPKMMKBLGGP-SFTDATJTSA-N 2 0 370.541 3.092 20 0 FGADRP CCO[C@@H]1C[C@H]([NH2+]Cc2ccncc2OCCC[NH+](C)C)C12CCCC2 ZINC000518607495 504025982 /nfs/dbraw/zinc/02/59/82/504025982.db2.gz CQEMYWWKZCFIBW-VQTJNVASSA-N 2 0 361.530 3.240 20 0 FGADRP CC[N@H+](CCNC(=O)N[C@H]1CCN(C)[C@H]1c1ccc(Cl)cc1)C(C)C ZINC000534055226 504027155 /nfs/dbraw/zinc/02/71/55/504027155.db2.gz HWQDGNZBWKIYIW-ROUUACIJSA-N 2 0 366.937 3.115 20 0 FGADRP O=C1Nc2ccccc2C[C@H]1N[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000528001978 504034739 /nfs/dbraw/zinc/03/47/39/504034739.db2.gz QNCDSRFUAWZDJL-XWSHUIEDSA-N 2 0 361.489 3.335 20 0 FGADRP C[C@@H]([NH2+]CC(C)(C)C(=O)N1CCCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000528016298 504041599 /nfs/dbraw/zinc/04/15/99/504041599.db2.gz RDSLGBSBLQKTTP-QUCCMNQESA-N 2 0 357.542 3.135 20 0 FGADRP C[N@@H+]1CC[C@](O)(CNCc2cccc(OCc3ccccc3Cl)c2)C1 ZINC000547273162 504044368 /nfs/dbraw/zinc/04/43/68/504044368.db2.gz MNHFOVXCCQVTBH-FQEVSTJZSA-N 2 0 360.885 3.075 20 0 FGADRP CC[N@H+](CCC1CC[NH+]([C@H](C)C(=O)N2CCC(C)CC2)CC1)CC1CC1 ZINC000537849232 504063848 /nfs/dbraw/zinc/06/38/48/504063848.db2.gz HGSYRJVEPGXOFB-LJQANCHMSA-N 2 0 363.590 3.467 20 0 FGADRP C[C@H](CNC(=O)NCC[C@@H](C)[NH+]1CCCCC1)[N@H+](C)Cc1ccccc1 ZINC000544303739 504079971 /nfs/dbraw/zinc/07/99/71/504079971.db2.gz SCKOXEDPRNAKGZ-RTBURBONSA-N 2 0 360.546 3.071 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)NCC[C@H](C)[NH+]1CCCCC1)c1ccco1 ZINC000544321497 504087279 /nfs/dbraw/zinc/08/72/79/504087279.db2.gz CVSROOINBPUTFP-ZWKOTPCHSA-N 2 0 364.534 3.226 20 0 FGADRP COc1ccc(OCC[N@H+](C)Cc2cn(-c3cc[nH+]cc3)nc2C)cc1 ZINC000544351606 504098942 /nfs/dbraw/zinc/09/89/42/504098942.db2.gz PZVRXVGSQVOCRQ-UHFFFAOYSA-N 2 0 352.438 3.095 20 0 FGADRP C[C@@H]1C[NH+](CCCC[NH2+][C@@H]2CCN(Cc3ccccc3)C[C@H]2C)C[C@@H](C)O1 ZINC000537971273 504099875 /nfs/dbraw/zinc/09/98/75/504099875.db2.gz GNZDJRUNOKZWHV-YYTDSSBASA-N 2 0 373.585 3.376 20 0 FGADRP Cc1ccc(NC(=O)C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)c(Cl)c1 ZINC000518967630 504105542 /nfs/dbraw/zinc/10/55/42/504105542.db2.gz GMGGHMRHEIWCEW-UHFFFAOYSA-N 2 0 358.873 3.241 20 0 FGADRP C[C@@H]1C[C@H](N(C)C(=O)[C@]23C[NH2+]C[C@@H]2CCCC3)CC[N@@H+]1Cc1ccccc1 ZINC000518985194 504110496 /nfs/dbraw/zinc/11/04/96/504110496.db2.gz QNCKBHWHNVROOZ-ZVXPMLRVSA-N 2 0 369.553 3.278 20 0 FGADRP CCN(CC)[C@H](C[NH2+]Cc1cn(-c2cc[nH+]cc2)nc1C)c1ccco1 ZINC000541389253 504114027 /nfs/dbraw/zinc/11/40/27/504114027.db2.gz GUHUENHZFJLPAW-LJQANCHMSA-N 2 0 353.470 3.341 20 0 FGADRP COC(=O)c1cc2c(o1)c(OC)ccc2C[NH2+]C[C@H](C)C[NH+]1CCCC1 ZINC000530904299 504125175 /nfs/dbraw/zinc/12/51/75/504125175.db2.gz LQFIUMYKWCMZBT-AWEZNQCLSA-N 2 0 360.454 3.050 20 0 FGADRP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(C[NH2+][C@@H]3CCC[C@@H]3C3CC3)c2)C1 ZINC000538100153 504132985 /nfs/dbraw/zinc/13/29/85/504132985.db2.gz BMRFROGOWACMHT-NJDAHSKKSA-N 2 0 355.526 3.052 20 0 FGADRP OC[C@H]1CCC[N@@H+]1CCCC[NH2+][C@H](c1ccc(F)cc1)c1cccnc1 ZINC000541542755 504170202 /nfs/dbraw/zinc/17/02/02/504170202.db2.gz DEVMTXRDFFUSPR-NHCUHLMSSA-N 2 0 357.473 3.137 20 0 FGADRP CC[NH+]1CCN(CCC[NH2+][C@H](c2cccnc2)c2ccc(F)cc2F)CC1 ZINC000541552040 504174152 /nfs/dbraw/zinc/17/41/52/504174152.db2.gz BUKMPAWCLPTRSN-OAQYLSRUSA-N 2 0 374.479 3.066 20 0 FGADRP C[NH+](C)[C@H](CNC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1)c1ccsc1 ZINC000534612991 504191421 /nfs/dbraw/zinc/19/14/21/504191421.db2.gz WCSXXSJYADMOPW-IPMKNSEASA-N 2 0 372.538 3.095 20 0 FGADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)[C@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 ZINC000531118836 504195790 /nfs/dbraw/zinc/19/57/90/504195790.db2.gz COHCLOYXGMNYRF-SJORKVTESA-N 2 0 372.340 3.049 20 0 FGADRP C[C@H]1C[NH+](CCC2CC[NH+](Cc3cc(CO)ccc3F)CC2)C[C@H](C)O1 ZINC000528395369 504204349 /nfs/dbraw/zinc/20/43/49/504204349.db2.gz KIEWZLVVXPYADV-IRXDYDNUSA-N 2 0 364.505 3.029 20 0 FGADRP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000519483983 504230581 /nfs/dbraw/zinc/23/05/81/504230581.db2.gz PHGPKERRXIFDFT-RTWAWAEBSA-N 2 0 372.557 3.215 20 0 FGADRP C[C@@H]1C[N@H+](CCCOc2ccc(Cl)cc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000535013337 504313283 /nfs/dbraw/zinc/31/32/83/504313283.db2.gz YQKQMLYIASTUEH-YLJYHZDGSA-N 2 0 365.949 3.067 20 0 FGADRP CC1CC[NH+]([C@H](CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)c2ccccc2)CC1 ZINC000548083715 504323891 /nfs/dbraw/zinc/32/38/91/504323891.db2.gz ZZEBTPWYRFQFEJ-SESVDKBCSA-N 2 0 357.542 3.306 20 0 FGADRP CC(C)[C@@H]1C[NH2+]CCN1C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000528674806 504326426 /nfs/dbraw/zinc/32/64/26/504326426.db2.gz MHKWHEKZHKFUDC-FQEVSTJZSA-N 2 0 358.530 3.177 20 0 FGADRP COc1ccc(C(C)(C)[NH2+]CCCN2CC[NH+](C(C)C)CC2)cc1F ZINC000528680002 504328156 /nfs/dbraw/zinc/32/81/56/504328156.db2.gz QQBMVYIHSGLAKD-UHFFFAOYSA-N 2 0 351.510 3.075 20 0 FGADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2c[nH]nc2-c2ccc(F)cc2)C1 ZINC000538751898 504358998 /nfs/dbraw/zinc/35/89/98/504358998.db2.gz VMMMTSXERIOUAI-LJQANCHMSA-N 2 0 360.477 3.149 20 0 FGADRP CN1CC[NH+](CC2CC[NH+](CCCc3c(F)cccc3Cl)CC2)CC1 ZINC000519844426 504360766 /nfs/dbraw/zinc/36/07/66/504360766.db2.gz GDSOGQFPFFAQOA-UHFFFAOYSA-N 2 0 367.940 3.371 20 0 FGADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@@H](CO)Cc1ccc(C(F)(F)F)cc1 ZINC000539057772 504460643 /nfs/dbraw/zinc/46/06/43/504460643.db2.gz DCAWLJADMYTXBS-AHEZYBDSSA-N 2 0 358.448 3.175 20 0 FGADRP Cc1cccc(NC(=O)C[C@H](C)[NH2+]CCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000539071684 504464491 /nfs/dbraw/zinc/46/44/91/504464491.db2.gz YJDAHTCKFGEOBQ-GBESFXJTSA-N 2 0 361.530 3.191 20 0 FGADRP CC[C@H](Cc1ccc(C)cc1)[NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000539071329 504464746 /nfs/dbraw/zinc/46/47/46/504464746.db2.gz RTPHUWNFDLTJFT-JOCHJYFZSA-N 2 0 367.537 3.397 20 0 FGADRP C[C@@H](CCNC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1)[NH+]1CCCCC1 ZINC000542451781 504495012 /nfs/dbraw/zinc/49/50/12/504495012.db2.gz ORQMIQRSCKIAAK-PZJWPPBQSA-N 2 0 357.542 3.279 20 0 FGADRP Cc1nn(-c2cc[nH+]cc2)cc1CN1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000542465847 504500269 /nfs/dbraw/zinc/50/02/69/504500269.db2.gz MKXLZFZBSWSMPS-LAUBAEHRSA-N 2 0 351.498 3.024 20 0 FGADRP C[C@@H]1CCCC[C@H]1[N@H+](C)CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000548730145 504544969 /nfs/dbraw/zinc/54/49/69/504544969.db2.gz NGFVXKUYIDUCRT-WIYYLYMNSA-N 2 0 357.542 3.409 20 0 FGADRP C[C@H]1CCCC[C@@H]1[N@H+](C)CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000548730144 504545098 /nfs/dbraw/zinc/54/50/98/504545098.db2.gz NGFVXKUYIDUCRT-RXVVDRJESA-N 2 0 357.542 3.409 20 0 FGADRP O=C(NCc1ccccc1C[NH+]1CCCCCC1)C12CCC[NH+]1CCC2 ZINC000548747700 504550780 /nfs/dbraw/zinc/55/07/80/504550780.db2.gz PDMIUNPONLXAEO-UHFFFAOYSA-N 2 0 355.526 3.307 20 0 FGADRP C[N@H+](CCN[C@@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21)C1CCCC1 ZINC000539395115 504555649 /nfs/dbraw/zinc/55/56/49/504555649.db2.gz GJWFFCFIKKTIBO-HXUWFJFHSA-N 2 0 357.542 3.439 20 0 FGADRP CC1(C)CCCC[C@H]1[NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000532226031 504578791 /nfs/dbraw/zinc/57/87/91/504578791.db2.gz QGMWKCICLRWUNC-VQTJNVASSA-N 2 0 357.542 3.442 20 0 FGADRP CC(C)N1CC[C@H](NC(=O)[C@]2(C)CC[NH2+]C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000520806292 504586354 /nfs/dbraw/zinc/58/63/54/504586354.db2.gz NFAKUTALODYROM-YQVWRLOYSA-N 2 0 367.896 3.119 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1)CC(C)C ZINC000535950935 504590285 /nfs/dbraw/zinc/59/02/85/504590285.db2.gz SWUPVHUWBGCVQZ-PMACEKPBSA-N 2 0 366.594 3.116 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1)CC(C)C ZINC000535950942 504590422 /nfs/dbraw/zinc/59/04/22/504590422.db2.gz SWUPVHUWBGCVQZ-WOJBJXKFSA-N 2 0 366.594 3.116 20 0 FGADRP C[C@H]([NH2+]C(C)(C)CNC(=O)CCN(C)c1cc[nH+]cc1)c1ccccc1 ZINC000542784676 504609475 /nfs/dbraw/zinc/60/94/75/504609475.db2.gz WCZAMTFJXCMVOE-KRWDZBQOSA-N 2 0 354.498 3.154 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N(C)CCC[NH+]1CCCC1)c1ccccc1 ZINC000539602726 504622908 /nfs/dbraw/zinc/62/29/08/504622908.db2.gz PSGJAMXDUBUWEK-HXUWFJFHSA-N 2 0 360.546 3.197 20 0 FGADRP C[C@@H](NC(=O)N1CCC[N@@H+](C(C)(C)C)CC1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000542823084 504625686 /nfs/dbraw/zinc/62/56/86/504625686.db2.gz IWPKNMSSLVHNRC-MSOLQXFVSA-N 2 0 364.578 3.155 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)N[C@H]2CC[NH+](C)[C@H]2c2ccccc2)C1 ZINC000536100493 504633949 /nfs/dbraw/zinc/63/39/49/504633949.db2.gz VLZWVIKUPROHPL-YHELAOLJSA-N 2 0 372.557 3.099 20 0 FGADRP C[C@@H](CCN1C(=O)c2ccccc2C1=O)[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C ZINC000545954114 504653081 /nfs/dbraw/zinc/65/30/81/504653081.db2.gz LOELGVCCHVRUTI-YJBOKZPZSA-N 2 0 359.514 3.017 20 0 FGADRP C[N@H+](CCCNC(=O)N[C@H]1CC[NH+](C)[C@@H]1c1ccccc1)C1CCCCC1 ZINC000536170730 504656396 /nfs/dbraw/zinc/65/63/96/504656396.db2.gz GUSIMWBNAULPDV-LEWJYISDSA-N 2 0 372.557 3.386 20 0 FGADRP C[C@@H](Cc1ccsc1)[NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000532514461 504678569 /nfs/dbraw/zinc/67/85/69/504678569.db2.gz KGUHHKJYZAXXEI-OXJNMPFZSA-N 2 0 371.550 3.166 20 0 FGADRP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2[C@@H]3CC[C@H]2C[C@@H](c2ccccc2)C3)CC1 ZINC000549159805 504707395 /nfs/dbraw/zinc/70/73/95/504707395.db2.gz VEUDWCAMZWSHMA-QQFNCUIESA-N 2 0 369.553 3.386 20 0 FGADRP CC[NH+](CC)CCOC1CC[NH+](Cc2c[nH]nc2-c2ccccc2)CC1 ZINC000539861235 504720296 /nfs/dbraw/zinc/72/02/96/504720296.db2.gz GDMCBPYTBANWAT-UHFFFAOYSA-N 2 0 356.514 3.400 20 0 FGADRP CC[NH+](CC)C[C@H](C)NC(=O)[C@H](C)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000521380927 504724288 /nfs/dbraw/zinc/72/42/88/504724288.db2.gz MQJOFHITWCKCCV-OALUTQOASA-N 2 0 359.558 3.176 20 0 FGADRP CC[N@H+](CCNC(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1)C1CC1 ZINC000532660884 504728495 /nfs/dbraw/zinc/72/84/95/504728495.db2.gz ZDAMVJNIRLMYAR-UHFFFAOYSA-N 2 0 374.529 3.157 20 0 FGADRP Cc1ccc(OC[C@@H](O)C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)cc1 ZINC000532778759 504757181 /nfs/dbraw/zinc/75/71/81/504757181.db2.gz GLLXCBDMVVGNOB-NRFANRHFSA-N 2 0 360.542 3.323 20 0 FGADRP Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)C[C@H]1CCCC[C@@H]1[NH3+] ZINC000521619964 504765012 /nfs/dbraw/zinc/76/50/12/504765012.db2.gz CXHAENLYNXNMHI-MSOLQXFVSA-N 2 0 361.555 3.390 20 0 FGADRP CC(C)[C@H](CNC(=O)c1ccc(CC[NH+](C)C)cc1)[NH+]1CCC(C)CC1 ZINC000552970620 504796328 /nfs/dbraw/zinc/79/63/28/504796328.db2.gz XSEAFTCVAIPHOS-NRFANRHFSA-N 2 0 359.558 3.277 20 0 FGADRP Cn1ccnc1[C@@H]1CC[N@H+](C[C@H](O)Cn2c3ccccc3c3ccccc32)C1 ZINC000565154331 504809453 /nfs/dbraw/zinc/80/94/53/504809453.db2.gz APYMPMZREHIDQE-MSOLQXFVSA-N 2 0 374.488 3.378 20 0 FGADRP O=C(CC[NH2+]C1CCN(c2ccccn2)CC1)Nc1cccc(Cl)c1 ZINC000562449916 504824469 /nfs/dbraw/zinc/82/44/69/504824469.db2.gz WOBCXSZPGJYRRA-UHFFFAOYSA-N 2 0 358.873 3.322 20 0 FGADRP c1sc(-c2ccc3c(c2)OCO3)nc1C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000565302954 504849366 /nfs/dbraw/zinc/84/93/66/504849366.db2.gz ICRPPJGHRZBFLN-HOTGVXAUSA-N 2 0 371.506 3.360 20 0 FGADRP CN(CC[NH+]1CCCC1)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000549584791 504854309 /nfs/dbraw/zinc/85/43/09/504854309.db2.gz SBKIUQFVKLCNGU-FQEVSTJZSA-N 2 0 372.557 3.024 20 0 FGADRP O=C(C[NH2+][C@H](c1ccc(F)cc1)C1CCCC1)NC1CC[NH+](C2CC2)CC1 ZINC000553258291 504865963 /nfs/dbraw/zinc/86/59/63/504865963.db2.gz KQPCZAGREGNXAH-QFIPXVFZSA-N 2 0 373.516 3.390 20 0 FGADRP CC[NH+](CC)CCOc1ccccc1NC(=O)c1ccc(C[NH+](C)C)nc1 ZINC000549772894 504894802 /nfs/dbraw/zinc/89/48/02/504894802.db2.gz NFJWQZNJFQMXOI-UHFFFAOYSA-N 2 0 370.497 3.116 20 0 FGADRP CCC[NH+]1CCC(C[NH2+]C[C@H](O)COc2cc(C)ccc2Cl)CC1 ZINC000565476804 504898893 /nfs/dbraw/zinc/89/88/93/504898893.db2.gz VJFHDNJFFCMBHL-KRWDZBQOSA-N 2 0 354.922 3.100 20 0 FGADRP C[NH+](C)CCOc1ccc(NC(=O)CC[N@H+](C)C2CCCCC2)cc1F ZINC000562661940 504899030 /nfs/dbraw/zinc/89/90/30/504899030.db2.gz LRLWYTZWTPHWSN-UHFFFAOYSA-N 2 0 365.493 3.359 20 0 FGADRP CC[C@@H](C(=O)Nc1ccc(OCC[NH+](C)C)cc1)[N@H+](C)Cc1ccccc1 ZINC000550138715 504975604 /nfs/dbraw/zinc/97/56/04/504975604.db2.gz BFAMXLKZKGPSJE-NRFANRHFSA-N 2 0 369.509 3.476 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N1C[C@@H]([NH+]2CCCC2)C[C@H]1C)c1ccccc1 ZINC000553708645 504988619 /nfs/dbraw/zinc/98/86/19/504988619.db2.gz XLDFRHPHDBLCFJ-HLAWJBBLSA-N 2 0 372.557 3.338 20 0 FGADRP CCN1CC[NH+](CCCC[NH2+][C@@H](C)CCc2ccc(F)cc2F)CC1 ZINC000556857728 504997357 /nfs/dbraw/zinc/99/73/57/504997357.db2.gz GFILJYBNRBUNOA-KRWDZBQOSA-N 2 0 353.501 3.293 20 0 FGADRP Cc1ccc(Cl)c(OC[C@H](O)C[NH2+]CC(C)(C)C[NH+]2CCCC2)c1 ZINC000563003977 505016493 /nfs/dbraw/zinc/01/64/93/505016493.db2.gz ZAPRWCOXGUQGIG-MRXNPFEDSA-N 2 0 354.922 3.100 20 0 FGADRP [NH3+]C[C@H](NC(=O)N1CCc2ccccc2[C@H]1C[NH3+])c1ccc2ccccc2c1 ZINC000563092022 505045771 /nfs/dbraw/zinc/04/57/71/505045771.db2.gz IHIMDTUOPDFTAT-FCHUYYIVSA-N 2 0 374.488 3.107 20 0 FGADRP CC[N@H+](C)Cc1cccc(C[NH2+]C[C@@H](O)COc2cccc3[nH]ccc32)c1 ZINC000566109020 505084058 /nfs/dbraw/zinc/08/40/58/505084058.db2.gz JWMLNTRRFSVLQH-LJQANCHMSA-N 2 0 367.493 3.149 20 0 FGADRP COc1ccc2c(c1)C[C@H]([NH2+]Cc1ccncc1OCCC[NH+](C)C)CC2 ZINC000563275291 505093002 /nfs/dbraw/zinc/09/30/02/505093002.db2.gz PEHXUUGOEDUUPT-HXUWFJFHSA-N 2 0 369.509 3.068 20 0 FGADRP [NH3+][C@@H](CC1CCCCC1)C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000566170682 505103708 /nfs/dbraw/zinc/10/37/08/505103708.db2.gz XQAFFPDYISTHGT-HKUYNNGSSA-N 2 0 363.571 3.374 20 0 FGADRP CC[NH+](CC)CC(=O)Nc1cccc(N[C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)c1 ZINC000554145694 505105184 /nfs/dbraw/zinc/10/51/84/505105184.db2.gz VNMRRMUNMHTKMP-VAMGGRTRSA-N 2 0 358.530 3.252 20 0 FGADRP C[NH+](C)C[C@H](CNC(=O)CC[C@@H]1CCCC[N@@H+]1C)c1ccc(Cl)cc1 ZINC000560506141 505107379 /nfs/dbraw/zinc/10/73/79/505107379.db2.gz IZDGMQZENDXBTM-HKUYNNGSSA-N 2 0 365.949 3.366 20 0 FGADRP Cc1cc(NC(=O)c2ccccc2CC[NH3+])ccc1OCC[NH+]1CCCC1 ZINC000563339009 505112691 /nfs/dbraw/zinc/11/26/91/505112691.db2.gz NBLVYNTZQCPSLM-UHFFFAOYSA-N 2 0 367.493 3.223 20 0 FGADRP C[C@H]1CC2(CN1C(=O)[C@@H]1CCC[N@H+](Cc3cccc(F)c3)C1)CC[NH2+]CC2 ZINC000566209651 505112825 /nfs/dbraw/zinc/11/28/25/505112825.db2.gz UUBSEIWAEICJRN-PKOBYXMFSA-N 2 0 373.516 3.028 20 0 FGADRP CCC[NH+]1CCN(c2ccccc2C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)CC1 ZINC000566225810 505118160 /nfs/dbraw/zinc/11/81/60/505118160.db2.gz ODXKZWPRTWKKCT-JOCHJYFZSA-N 3 0 370.585 3.183 20 0 FGADRP C[C@@H]([NH2+]CCCCC[NH+]1CCCC1)[C@H](c1ccccc1)N1CCOCC1 ZINC000550881993 505119256 /nfs/dbraw/zinc/11/92/56/505119256.db2.gz GZCZECISAYVBEN-IFMALSPDSA-N 2 0 359.558 3.304 20 0 FGADRP CC[C@@H](C)[NH2+][C@H](CNC(=O)NCC(C)(C)[NH+]1CCCCC1)c1ccco1 ZINC000554255266 505126726 /nfs/dbraw/zinc/12/67/26/505126726.db2.gz RCUYTHSPCVNYFX-IAGOWNOFSA-N 2 0 364.534 3.273 20 0 FGADRP CC(C)[N@@H+](C)C[C@H](C)NC(=O)Nc1cccc2c1CN(c1ccccn1)C2 ZINC000557528946 505157922 /nfs/dbraw/zinc/15/79/22/505157922.db2.gz FORKXSPODFMVFF-INIZCTEOSA-N 2 0 367.497 3.452 20 0 FGADRP CCC[N@@H+]1CCC[C@H]1CNC(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000554450063 505176316 /nfs/dbraw/zinc/17/63/16/505176316.db2.gz JOSIMXVIDVMLOJ-DLBZAZTESA-N 2 0 364.559 3.059 20 0 FGADRP CN(CCC[N@H+](C)Cc1ccco1)C(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000554450146 505176328 /nfs/dbraw/zinc/17/63/28/505176328.db2.gz TZAACEUYQLVFNM-FQEVSTJZSA-N 2 0 372.513 3.046 20 0 FGADRP C[C@@H]([NH3+])C1CCN(C(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)CC1 ZINC000563561971 505176946 /nfs/dbraw/zinc/17/69/46/505176946.db2.gz IOIJDOIGRMTQFR-GOSISDBHSA-N 2 0 372.557 3.331 20 0 FGADRP CC[NH+](CC)Cc1ccc(C[NH2+]CCC(=O)Nc2ccc(C)cn2)cc1 ZINC000566600692 505218428 /nfs/dbraw/zinc/21/84/28/505218428.db2.gz QMFXOLWKEFRIMO-UHFFFAOYSA-N 2 0 354.498 3.350 20 0 FGADRP CCOC(=O)C1(C[NH2+]C2CC[NH+]([C@H](C)Cc3ccccc3)CC2)CCC1 ZINC000563779982 505235932 /nfs/dbraw/zinc/23/59/32/505235932.db2.gz GUPXUVGDWGFOQR-GOSISDBHSA-N 2 0 358.526 3.405 20 0 FGADRP CC(C)[NH+](CCNC(=O)[C@@H]1C[N@@H+](C(C)(C)C)C[C@H]1C(F)(F)F)C(C)C ZINC000561061585 505240820 /nfs/dbraw/zinc/24/08/20/505240820.db2.gz GSEGFOKXZHVIEQ-HUUCEWRRSA-N 2 0 365.484 3.130 20 0 FGADRP O=C(Nc1ccccc1)N1CC[C@H]([NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)C1 ZINC000563804543 505243416 /nfs/dbraw/zinc/24/34/16/505243416.db2.gz YSNBVKZYIRVQGK-VNTMZGSJSA-N 2 0 356.514 3.193 20 0 FGADRP COc1cc(C[NH2+][C@@H](C)C[C@@H](C)[NH3+])cc(Br)c1OC(F)F ZINC000563810228 505245652 /nfs/dbraw/zinc/24/56/52/505245652.db2.gz FBDVMRPZNVSUQY-BDAKNGLRSA-N 2 0 367.234 3.275 20 0 FGADRP [NH3+]C[C@H](Cc1ccccc1)[C@@H]1CCCCN1C(=O)C[C@H]1CCCC[C@@H]1[NH3+] ZINC000566727800 505257123 /nfs/dbraw/zinc/25/71/23/505257123.db2.gz GAPPPQHXRSKVJN-ANULTFPQSA-N 2 0 357.542 3.093 20 0 FGADRP Cn1cc(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)c(-c2ccccc2)n1 ZINC000561246655 505292052 /nfs/dbraw/zinc/29/20/52/505292052.db2.gz YQACBZACJICVIQ-UHFFFAOYSA-N 2 0 368.525 3.021 20 0 FGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccccc2Cn2ccnc2)[C@@H](C)C1 ZINC000564008593 505300842 /nfs/dbraw/zinc/30/08/42/505300842.db2.gz LHVXGOAAGFURFM-SIKLNZKXSA-N 2 0 370.541 3.158 20 0 FGADRP C[NH+](C)Cc1cc(CNC(=O)c2ccc(C[NH+]3CCCC3)cc2)ccc1F ZINC000555010947 505327874 /nfs/dbraw/zinc/32/78/74/505327874.db2.gz JMPHWAQKUGLNHM-UHFFFAOYSA-N 2 0 369.484 3.413 20 0 FGADRP C[C@H]([NH2+][C@@H](C)C1CCCCC1)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000567000415 505334386 /nfs/dbraw/zinc/33/43/86/505334386.db2.gz ZVYSCDSWTONLAS-BBTUJRGHSA-N 2 0 357.542 3.324 20 0 FGADRP CC(C)[N@H+](C)CC1CC[NH+]([C@@H](C)C(=O)N[C@H]2CCOc3ccccc32)CC1 ZINC000551908374 505339612 /nfs/dbraw/zinc/33/96/12/505339612.db2.gz HRVNOMQRYAZZLJ-PXNSSMCTSA-N 2 0 373.541 3.067 20 0 FGADRP C[C@@H]1C[C@H](NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c2nccn21 ZINC000567076911 505356797 /nfs/dbraw/zinc/35/67/97/505356797.db2.gz LDMYUFRDNPSESN-FPAYPSAMSA-N 2 0 367.497 3.099 20 0 FGADRP CC(C)(C)NC(=O)C[NH+]1CCC(C[NH2+][C@@H]2CCCNc3ccccc32)CC1 ZINC000567085141 505358556 /nfs/dbraw/zinc/35/85/56/505358556.db2.gz RKJHZYCKTUINHD-HXUWFJFHSA-N 2 0 372.557 3.150 20 0 FGADRP C[C@H](CCc1ccccc1)C[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000567085682 505359749 /nfs/dbraw/zinc/35/97/49/505359749.db2.gz DZSHPUXMGLKGNM-MEMABINQSA-N 2 0 355.570 3.498 20 0 FGADRP CC(C)CC[NH+]1CCC(C[NH2+][C@@H](C)c2ccc3c(c2)OCC(=O)N3)CC1 ZINC000552043743 505380506 /nfs/dbraw/zinc/38/05/06/505380506.db2.gz AEWDRIKRSMWTOG-INIZCTEOSA-N 2 0 359.514 3.426 20 0 FGADRP COCc1ccccc1/C=C(\C)C[N@@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000552060590 505385559 /nfs/dbraw/zinc/38/55/59/505385559.db2.gz PJRDKGMTGHSBRM-QFXGEWDLSA-N 2 0 371.569 3.337 20 0 FGADRP C[C@H](CCNC(=O)N1C[C@H]([NH+]2CCCC2)C[C@H]1C)[N@H+](C)Cc1ccccc1 ZINC000561608810 505389471 /nfs/dbraw/zinc/38/94/71/505389471.db2.gz JUCIBILHSMPGDF-SFHLNBCPSA-N 2 0 372.557 3.165 20 0 FGADRP Cc1cccc2ncc(C[NH+]3CCC(CC[NH+]4C[C@H](C)O[C@@H](C)C4)CC3)n21 ZINC000552091502 505396174 /nfs/dbraw/zinc/39/61/74/505396174.db2.gz PAYWVPUXOIUTMR-OALUTQOASA-N 2 0 370.541 3.354 20 0 FGADRP Cc1cccc2ncc(C[NH+]3CCC(CC[N@@H+]4C[C@@H](C)O[C@@H](C)C4)CC3)n21 ZINC000552091501 505396503 /nfs/dbraw/zinc/39/65/03/505396503.db2.gz PAYWVPUXOIUTMR-KDURUIRLSA-N 2 0 370.541 3.354 20 0 FGADRP C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)C[C@@H](O)Cc1ccc(F)cc1 ZINC000567221098 505398675 /nfs/dbraw/zinc/39/86/75/505398675.db2.gz JUPQWAPPGFTJAV-QFIPXVFZSA-N 2 0 371.500 3.363 20 0 FGADRP C/C(=C/c1ccccc1OC(F)F)C[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000558483044 505404696 /nfs/dbraw/zinc/40/46/96/505404696.db2.gz UUKHISVMZZSUFU-PEZBUJJGSA-N 2 0 367.484 3.307 20 0 FGADRP CSc1ccc([C@H](CNC(=O)[C@H](C)[NH+]2[C@@H](C)CC[C@@H]2C)[NH+](C)C)cc1 ZINC000561727352 505419852 /nfs/dbraw/zinc/41/98/52/505419852.db2.gz UAJZVTFPBIPKFU-FPXQBCRKSA-N 2 0 363.571 3.389 20 0 FGADRP COc1ccc(C[N@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)C(C)(C)C)cc1 ZINC000564492833 505432517 /nfs/dbraw/zinc/43/25/17/505432517.db2.gz XBVXJIWYQADTIV-UHFFFAOYSA-N 2 0 373.541 3.039 20 0 FGADRP CN(C)C(=O)CCC[NH2+][C@@H]1CCCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000552251224 505441492 /nfs/dbraw/zinc/44/14/92/505441492.db2.gz OHOAJYMMSWYNDZ-QHAWAJNXSA-N 2 0 357.542 3.135 20 0 FGADRP Cc1cc(CNC(=O)NC[C@H](C)[N@@H+]2CCCC[C@@H]2C)cc(N2CCCC2)n1 ZINC000564583345 505460949 /nfs/dbraw/zinc/46/09/49/505460949.db2.gz NFQSCJVLLWWDBM-ROUUACIJSA-N 2 0 373.545 3.052 20 0 FGADRP CC[C@H](NC(=O)CN1CC[C@]2(C1)CCC[N@H+](C)C2)c1ccc(Cl)cc1 ZINC000555598476 505469457 /nfs/dbraw/zinc/46/94/57/505469457.db2.gz WCSDLSASDVHYAX-AZUAARDMSA-N 2 0 363.933 3.325 20 0 FGADRP O=C(c1ccc(C[NH+]2CCCC2)cc1)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000558828675 505504349 /nfs/dbraw/zinc/50/43/49/505504349.db2.gz IOSXGUZKIFNTEP-NRFANRHFSA-N 2 0 355.526 3.373 20 0 FGADRP c1ccc(CN2CCC([NH2+]C3CC[NH+](CC4CCCC4)CC3)CC2)nc1 ZINC000552578445 505516899 /nfs/dbraw/zinc/51/68/99/505516899.db2.gz BZAAVGFENLTVNR-UHFFFAOYSA-N 3 0 356.558 3.290 20 0 FGADRP c1cn(Cc2ccc(C[NH2+][C@H]3C[C@@]4(CC[NH2+]C4)Oc4ccccc43)cc2)cn1 ZINC000567642318 505522461 /nfs/dbraw/zinc/52/24/61/505522461.db2.gz GUTAMADXAYRNND-JTHBVZDNSA-N 2 0 374.488 3.277 20 0 FGADRP Clc1cccc([C@@H]2CC[C@@H]([NH2+]Cc3nnc(C4CC[NH2+]CC4)[nH]3)C2)c1 ZINC000564839758 505534587 /nfs/dbraw/zinc/53/45/87/505534587.db2.gz BPOSWFSJOQCPFR-NVXWUHKLSA-N 2 0 359.905 3.351 20 0 FGADRP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+]C[C@@H](O)COc2ccccc2Cl)C1 ZINC000567688606 505537587 /nfs/dbraw/zinc/53/75/87/505537587.db2.gz USVCMMURNLCHKO-DLBZAZTESA-N 2 0 354.922 3.037 20 0 FGADRP CC[NH+]1CCC(NC(=O)NC[C@@H](c2ccc(CC(C)C)cc2)[NH+](C)C)CC1 ZINC000562200833 505538388 /nfs/dbraw/zinc/53/83/88/505538388.db2.gz RZRGPGNFNDZGGJ-NRFANRHFSA-N 2 0 374.573 3.271 20 0 FGADRP COc1cc2ccncc2cc1OC[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000562210694 505540761 /nfs/dbraw/zinc/54/07/61/505540761.db2.gz PLPCKMCXWHBXFV-FQEVSTJZSA-N 2 0 364.445 3.041 20 0 FGADRP [NH3+][C@@H]1CCCC[C@@H]1CC(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000564931344 505560915 /nfs/dbraw/zinc/56/09/15/505560915.db2.gz GOLIQQQOTGJWMN-NHCUHLMSSA-N 2 0 369.553 3.409 20 0 FGADRP C[C@H](CC(=O)N[C@@H]1CCN(C)[C@H]1c1ccc(Cl)cc1)C1CC[NH2+]CC1 ZINC000564935236 505561009 /nfs/dbraw/zinc/56/10/09/505561009.db2.gz SQRHEKGSKYCDOO-DJKXOVBDSA-N 2 0 363.933 3.227 20 0 FGADRP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]CCc1ccc(I)cc1 ZINC000596651198 506512086 /nfs/dbraw/zinc/51/20/86/506512086.db2.gz BFOYLCBIXBYEPT-GJZGRUSLSA-N 2 0 358.267 3.083 20 0 FGADRP CC[C@H](C)[NH2+][C@@H](CNC(=O)[C@@H]1CCc2nc(C(C)C)[nH]c2C1)c1ccco1 ZINC000582984268 506523706 /nfs/dbraw/zinc/52/37/06/506523706.db2.gz IRNREMTVGJQWAQ-DAYGRLMNSA-N 2 0 372.513 3.477 20 0 FGADRP CCC(CC)[C@@H](CNC(=O)N1CC[NH+](C2CCCC2)CC1)[NH+]1CCCC1 ZINC000612338826 506534412 /nfs/dbraw/zinc/53/44/12/506534412.db2.gz OVHVRFQCMBEGKX-HXUWFJFHSA-N 2 0 364.578 3.157 20 0 FGADRP COc1ccc2[nH]cc(CC[NH2+]Cc3ccc(OCC[NH+](C)C)cc3)c2c1 ZINC000603515525 506539404 /nfs/dbraw/zinc/53/94/04/506539404.db2.gz BUDHCCBEIHGLMU-UHFFFAOYSA-N 2 0 367.493 3.449 20 0 FGADRP C[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1)[NH+](C)Cc1ccccc1 ZINC000599630952 506540668 /nfs/dbraw/zinc/54/06/68/506540668.db2.gz LEUZGKVCZBGPEB-KNQAVFIVSA-N 2 0 365.521 3.288 20 0 FGADRP C[C@@H]1C[C@@H](N(C)C(=O)c2ccccc2CC[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000583091206 506584458 /nfs/dbraw/zinc/58/44/58/506584458.db2.gz LJNCFBCJTWEYAB-NQIIRXRSSA-N 2 0 365.521 3.313 20 0 FGADRP C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000589742103 506641131 /nfs/dbraw/zinc/64/11/31/506641131.db2.gz AZMBFAXCXSDPIM-UHFFFAOYSA-N 2 0 372.557 3.026 20 0 FGADRP C[NH+](C)CCCOc1ccc(NC(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)cc1 ZINC000593500470 506655063 /nfs/dbraw/zinc/65/50/63/506655063.db2.gz QEFFCWTWDMPUDN-LJQANCHMSA-N 2 0 374.529 3.109 20 0 FGADRP C[NH+](C)CCCC[NH2+]Cc1sc(N2CCOCC2)nc1-c1ccccc1 ZINC000589836885 506659105 /nfs/dbraw/zinc/65/91/05/506659105.db2.gz GFAPPUDKVWTAAF-UHFFFAOYSA-N 2 0 374.554 3.078 20 0 FGADRP CC[NH+](CC)[C@H]1CCN(C(=O)N[C@H](C[NH+]2CCCCC2)c2ccccc2)C1 ZINC000608685390 506665180 /nfs/dbraw/zinc/66/51/80/506665180.db2.gz PYQHTRLXMWDFKU-LEWJYISDSA-N 2 0 372.557 3.339 20 0 FGADRP C[NH+](C)CC[C@H](NC(=O)N1CC[C@@H]([N@H+](C)Cc2ccccc2)C1)C(C)(C)C ZINC000608688414 506665287 /nfs/dbraw/zinc/66/52/87/506665287.db2.gz IZSXOWCBIOPRFL-UXHICEINSA-N 2 0 374.573 3.269 20 0 FGADRP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H](C[NH+]2CCCC2)c2ccccc2)C1 ZINC000612720934 506707377 /nfs/dbraw/zinc/70/73/77/506707377.db2.gz ZKUDBDFMQYQMBW-UNMCSNQZSA-N 2 0 371.569 3.350 20 0 FGADRP COc1ccccc1[C@H](CNC(=O)C[C@@H]1CCCC[C@H]1[NH3+])[NH+]1CCCCC1 ZINC000583319758 506716062 /nfs/dbraw/zinc/71/60/62/506716062.db2.gz GWVOKRWATDURHY-SXLOBPIMSA-N 2 0 373.541 3.246 20 0 FGADRP C[NH+](C)CC1CC[NH+](C[C@@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000590125928 506743480 /nfs/dbraw/zinc/74/34/80/506743480.db2.gz VQYPVHRPBBVAFL-OAHLLOKOSA-N 2 0 361.313 3.007 20 0 FGADRP Cc1cc(C(C)(C)C)ccc1OC[C@@H](O)C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000590125806 506743899 /nfs/dbraw/zinc/74/38/99/506743899.db2.gz NMHFLCXIUWLFRP-FQEVSTJZSA-N 2 0 362.558 3.306 20 0 FGADRP CCCC[NH+]1CCC([NH2+]C[C@@H](O)COCc2ccccc2Cl)CC1 ZINC000583376732 506747416 /nfs/dbraw/zinc/74/74/16/506747416.db2.gz CXQQDVWOQBOGIL-GOSISDBHSA-N 2 0 354.922 3.072 20 0 FGADRP COC(=O)C(C)(C)CC[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000597231284 506850178 /nfs/dbraw/zinc/85/01/78/506850178.db2.gz PUGWUYLKMPCCIR-LJQANCHMSA-N 2 0 358.526 3.468 20 0 FGADRP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000594105048 506941105 /nfs/dbraw/zinc/94/11/05/506941105.db2.gz WYUQRGYNLLJWOF-SFHLNBCPSA-N 2 0 372.557 3.213 20 0 FGADRP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000604815941 506954174 /nfs/dbraw/zinc/95/41/74/506954174.db2.gz BOACZZVPXSMVRJ-MHORFTMASA-N 2 0 354.583 3.018 20 0 FGADRP O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000583800629 506982447 /nfs/dbraw/zinc/98/24/47/506982447.db2.gz UAIDUIKOYBXAOL-OAQYLSRUSA-N 2 0 364.493 3.291 20 0 FGADRP CCCC[N@H+](C)CC1CCN(C(=O)NCC[NH+]2[C@H](C)CCC[C@H]2C)CC1 ZINC000594310436 507074833 /nfs/dbraw/zinc/07/48/33/507074833.db2.gz FJHJUTVSVAUZDT-RTBURBONSA-N 2 0 366.594 3.403 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1CC)c1cccc(OC)c1 ZINC000591095396 507112100 /nfs/dbraw/zinc/11/21/00/507112100.db2.gz KCTYJTVZNQMCIY-UXHICEINSA-N 2 0 361.530 3.069 20 0 FGADRP C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000605404644 507180491 /nfs/dbraw/zinc/18/04/91/507180491.db2.gz MHSZARCCBZKAER-IRXDYDNUSA-N 2 0 352.482 3.097 20 0 FGADRP Cc1ccc([C@@H]([NH2+]Cc2ccc(N3CC[NH+](C)CC3)nc2)C2CCC2)o1 ZINC000584259734 507239653 /nfs/dbraw/zinc/23/96/53/507239653.db2.gz ZYNVZLBOQRDBRH-NRFANRHFSA-N 2 0 354.498 3.366 20 0 FGADRP CC(C)[C@@H](CNC(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1)[NH+]1CCCC1 ZINC000591558648 507292297 /nfs/dbraw/zinc/29/22/97/507292297.db2.gz XVPFFNSZPMWCRP-NHCUHLMSSA-N 2 0 372.557 3.243 20 0 FGADRP O=C(Nc1ccc(CC[NH+]2CCCCC2)cc1)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000594901604 507308891 /nfs/dbraw/zinc/30/88/91/507308891.db2.gz MNMSLCGCFUSACE-NRFANRHFSA-N 2 0 370.541 3.321 20 0 FGADRP CC(C)C[C@@H](CNC(=O)NCC1CC[NH2+]CC1)[NH2+][C@@H](C)c1ccccc1 ZINC000584400264 507324348 /nfs/dbraw/zinc/32/43/48/507324348.db2.gz QCHHONFHDVOWAB-PXNSSMCTSA-N 2 0 360.546 3.051 20 0 FGADRP COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000595001549 507348075 /nfs/dbraw/zinc/34/80/75/507348075.db2.gz WXKQDULYVMMZED-IJXRJRJASA-N 2 0 356.510 3.076 20 0 FGADRP Cc1ccc(-c2cc(C[NH+]3CCC([C@@H]4C[C@H]([NH3+])CCO4)CC3)on2)cc1 ZINC000584460447 507358380 /nfs/dbraw/zinc/35/83/80/507358380.db2.gz IAYZTGDWBRTHQV-NQIIRXRSSA-N 2 0 355.482 3.368 20 0 FGADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+]CC2CC[NH+](Cc3ccncc3)CC2)C[C@H]1C ZINC000595069615 507378174 /nfs/dbraw/zinc/37/81/74/507378174.db2.gz ZWGPAXUPHWHVKV-JRGCBEDISA-N 2 0 373.541 3.251 20 0 FGADRP CC1CC[NH+](Cc2ccccc2CNC(=O)C[C@@H]2CCCC[C@@H]2[NH3+])CC1 ZINC000584528137 507395808 /nfs/dbraw/zinc/39/58/08/507395808.db2.gz BXKVUPLQIJIFNZ-RXVVDRJESA-N 2 0 357.542 3.442 20 0 FGADRP Cc1ccccc1C[C@H]([NH2+]Cc1ccncc1OCC[NH+](C)C)C1CC1 ZINC000584684136 507448743 /nfs/dbraw/zinc/44/87/43/507448743.db2.gz UXFNSXGKFPKRNK-NRFANRHFSA-N 2 0 353.510 3.441 20 0 FGADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N[C@H](C)C1CC[NH+](C)CC1 ZINC000606635578 507459718 /nfs/dbraw/zinc/45/97/18/507459718.db2.gz NHPWNJHTRQKDFF-QGZVFWFLSA-N 2 0 360.546 3.056 20 0 FGADRP C[C@H]([NH3+])C1CCN(C(=O)NCC2([NH2+][C@@H](C)c3ccccc3)CCCC2)CC1 ZINC000584710139 507463770 /nfs/dbraw/zinc/46/37/70/507463770.db2.gz KDRKMHCLVSMUDG-ROUUACIJSA-N 2 0 372.557 3.419 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)NCC(C)(C)[NH+](C)C ZINC000595381563 507475743 /nfs/dbraw/zinc/47/57/43/507475743.db2.gz LJGYPJYMASMKDO-QGZVFWFLSA-N 2 0 361.530 3.010 20 0 FGADRP Cc1oc(-c2cccs2)nc1C[NH+]1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000584771683 507496077 /nfs/dbraw/zinc/49/60/77/507496077.db2.gz XPTFKEFZMSUUMN-RDJZCZTQSA-N 2 0 361.511 3.430 20 0 FGADRP COC(=O)c1cc(C[NH2+]CCCC[N@@H+]2CCCC[C@@H]2C)n2c1CCCC2 ZINC000598640838 507529886 /nfs/dbraw/zinc/52/98/86/507529886.db2.gz OIANALJTKKYUBO-KRWDZBQOSA-N 2 0 361.530 3.355 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1cccc2c1CCCC2 ZINC000607055831 507599603 /nfs/dbraw/zinc/59/96/03/507599603.db2.gz GQKHDHUVHGJLRA-LJQANCHMSA-N 2 0 372.557 3.445 20 0 FGADRP C[C@@H]1CCC[N@H+](CCNC(=O)N2CCC[NH+](Cc3ccccc3)C[C@H]2C)C1 ZINC000607175904 507645011 /nfs/dbraw/zinc/64/50/11/507645011.db2.gz ZCKMJSKRBYWENB-WOJBJXKFSA-N 2 0 372.557 3.024 20 0 FGADRP Cc1cc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)ccc1I ZINC000592470801 507670591 /nfs/dbraw/zinc/67/05/91/507670591.db2.gz IMPYZOHEVUWYHF-SOUVJXGZSA-N 2 0 370.278 3.077 20 0 FGADRP CC(C)[C@@H](CNC(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1)[NH+]1CCCCCC1 ZINC000592481404 507674620 /nfs/dbraw/zinc/67/46/20/507674620.db2.gz IOTUJZQKMSCGJM-AZUAARDMSA-N 2 0 364.578 3.203 20 0 FGADRP Cc1cccn2cc(CC(=O)N3CCC[C@H](C[NH+]4CCC(C)CC4)C3)nc12 ZINC000586839804 507689704 /nfs/dbraw/zinc/68/97/04/507689704.db2.gz PEIXGJABJYNZES-LJQANCHMSA-N 2 0 368.525 3.156 20 0 FGADRP c1ccc(C[N@H+]2C[C@@H]3CCCC[C@@H]([NH2+]CCNc4cnccn4)[C@@H]3C2)cc1 ZINC000513662396 516710145 /nfs/dbraw/zinc/71/01/45/516710145.db2.gz VDCFAZCNGKFTBE-PWRODBHTSA-N 2 0 365.525 3.169 20 0 FGADRP c1ccc2nc(NCC[NH2+][C@H]3C[C@]4(CC[NH2+]C4)Oc4ccccc43)ccc2c1 ZINC000521225894 517658129 /nfs/dbraw/zinc/65/81/29/517658129.db2.gz HMEMNGQTCXHWIK-REWPJTCUSA-N 2 0 374.488 3.492 20 0 FGADRP FC(F)(F)c1ccnc(NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000530693542 517925253 /nfs/dbraw/zinc/92/52/53/517925253.db2.gz MDSADBXAWVFGSJ-UHFFFAOYSA-N 2 0 365.403 3.120 20 0 FGADRP CC1CC[NH+](Cc2ccc(CNC(=O)NC[C@]3(C)CCC[NH2+]C3)cc2)CC1 ZINC000669115348 567998127 /nfs/dbraw/zinc/99/81/27/567998127.db2.gz QIWDWSYEYUNCBG-JOCHJYFZSA-N 2 0 372.557 3.107 20 0 FGADRP CCC1([NH+](C)C)CCN(C(=O)N[C@@H](C)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000637137967 568439380 /nfs/dbraw/zinc/43/93/80/568439380.db2.gz WALYTUBBZJAJIB-PKOBYXMFSA-N 2 0 360.546 3.194 20 0 FGADRP O=C([O-])CCC[NH+]1CCC([NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000833773026 605219573 /nfs/dbraw/zinc/21/95/73/605219573.db2.gz GHVUOVDZTKDOJL-UHFFFAOYSA-N 2 0 373.541 3.091 20 0 FGADRP CC1CC[NH+](C2CCC([NH2+]Cc3cc(-c4nn[nH]n4)cs3)CC2)CC1 ZINC000824954506 607753770 /nfs/dbraw/zinc/75/37/70/607753770.db2.gz KRPMDEOBDCEWFR-UHFFFAOYSA-N 2 0 360.531 3.061 20 0 FGADRP C[C@@H]([NH2+][C@@H](C)c1ccc(-c2nn[nH]n2)c(F)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000824532595 609350371 /nfs/dbraw/zinc/35/03/71/609350371.db2.gz VQRPMYHSEBKWRO-LZWOXQAQSA-N 2 0 372.492 3.309 20 0 FGADRP C[NH+]1CCC(CC[NH2+]Cc2csc(-c3ccc4c(c3)OCO4)n2)CC1 ZINC000105454114 700501074 /nfs/dbraw/zinc/50/10/74/700501074.db2.gz QTAXXGQQXLVBIM-UHFFFAOYSA-N 2 0 359.495 3.360 20 0 FGADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H]2CCSc3c(Cl)cccc32)CC1 ZINC000155728086 705089026 /nfs/dbraw/zinc/08/90/26/705089026.db2.gz ANFNZZJMHBVUMM-PBHICJAKSA-N 2 0 353.963 3.493 20 0 FGADRP C[C@H]1CCCC[N@@H+]1CCC[NH2+]CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000177549957 705627693 /nfs/dbraw/zinc/62/76/93/705627693.db2.gz MJMPTVCVPKGVQL-KRWDZBQOSA-N 2 0 353.551 3.488 20 0 FGADRP C[C@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)c1cc(Br)cs1 ZINC000226392355 713572282 /nfs/dbraw/zinc/57/22/82/713572282.db2.gz HUZNMNSPSZTXCD-LBPRGKRZSA-N 2 0 360.365 3.187 20 0 FGADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CCC(=O)Nc3cc(Cl)ccc3Cl)C[C@H]21 ZINC000261897195 713715656 /nfs/dbraw/zinc/71/56/56/713715656.db2.gz OKOROYYWISMVAE-UXIGCNINSA-N 2 0 356.297 3.381 20 0 FGADRP C[C@H](C[C@@H]1CCCN1C(=O)OC(C)(C)C)[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000310591320 713799584 /nfs/dbraw/zinc/79/95/84/713799584.db2.gz GHIFSHHEEWGIGZ-OWSLCNJRSA-N 2 0 351.535 3.381 20 0 FGADRP CC(C)[NH+]1CCC([NH2+][C@H]2CCN(C(=O)OC(C)(C)C)CC2(C)C)CC1 ZINC000310621640 713800060 /nfs/dbraw/zinc/80/00/60/713800060.db2.gz NGPXGLNMRBGJAE-KRWDZBQOSA-N 2 0 353.551 3.484 20 0 FGADRP CC(C)(C)OC(=O)Nc1ncc(CN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)s1 ZINC000374328280 713913795 /nfs/dbraw/zinc/91/37/95/713913795.db2.gz IAGUFTVSLBISKV-CHWSQXEVSA-N 2 0 352.504 3.207 20 0 FGADRP C[C@@]1([NH2+]CCCCC[NH2+][C@@]2(C)CCO[C@@H]2C2CC2)CCO[C@H]1C1CC1 ZINC000374647464 713936474 /nfs/dbraw/zinc/93/64/74/713936474.db2.gz NPNXNQGGTZHSQR-UJOPUZHASA-N 2 0 350.547 3.251 20 0 FGADRP CC(C)[NH+]1CCC([NH2+]C[C@H](O)COc2ccc(Cl)c(Cl)c2)CC1 ZINC000387394067 713986486 /nfs/dbraw/zinc/98/64/86/713986486.db2.gz JTTPRDWBBBEXKM-AWEZNQCLSA-N 2 0 361.313 3.196 20 0 FGADRP [NH3+][C@H]1CCC[C@H]([NH2+]C2CCN(Cc3ccccc3Br)CC2)C1 ZINC000414924006 714005962 /nfs/dbraw/zinc/00/59/62/714005962.db2.gz JFPZYONYAMDEEI-RDJZCZTQSA-N 2 0 366.347 3.273 20 0 FGADRP C[N@H+](CCCC[NH2+]Cc1cc2c(c(Br)c1)OCO2)C1CC1 ZINC000453602063 714057724 /nfs/dbraw/zinc/05/77/24/714057724.db2.gz ORUXXQWIQIOUDX-UHFFFAOYSA-N 2 0 355.276 3.142 20 0 FGADRP CCN(CC)C(=O)[C@@H]([NH2+]CC1(SC)CC[NH+](C)CC1)c1ccccc1 ZINC000521702521 714143052 /nfs/dbraw/zinc/14/30/52/714143052.db2.gz DYGUUHHFLINLLP-SFHVURJKSA-N 2 0 363.571 3.013 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccc(C(C)C)s1 ZINC000521851900 714152047 /nfs/dbraw/zinc/15/20/47/714152047.db2.gz QAHVNXKXBGCVHV-INIZCTEOSA-N 2 0 351.560 3.360 20 0 FGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000522208188 714176522 /nfs/dbraw/zinc/17/65/22/714176522.db2.gz IMPYANARSKQTPW-IBGZPJMESA-N 2 0 363.933 3.295 20 0 FGADRP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)C1 ZINC000522604696 714194992 /nfs/dbraw/zinc/19/49/92/714194992.db2.gz UHWJKZPSLGRZTO-KZNAEPCWSA-N 2 0 354.583 3.020 20 0 FGADRP CC[C@@H]1c2ccsc2CCN1C(=O)C[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000615464107 714529710 /nfs/dbraw/zinc/52/97/10/714529710.db2.gz LJUSWDIYGWRIJW-GOSISDBHSA-N 2 0 363.571 3.248 20 0 FGADRP COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000642630905 717985752 /nfs/dbraw/zinc/98/57/52/717985752.db2.gz QPRSQXCHIPQCLG-BPUTZDHNSA-N 2 0 365.905 3.282 20 0 FGADRP OCC1([NH2+]CC2CC2)CC[NH+](CCCCc2cccc(Cl)c2)CC1 ZINC000621300771 714978789 /nfs/dbraw/zinc/97/87/89/714978789.db2.gz YWORUSVJKNIWKX-UHFFFAOYSA-N 2 0 350.934 3.489 20 0 FGADRP C[NH+](C)C1(CNC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)CCCCCC1 ZINC000643216342 718019940 /nfs/dbraw/zinc/01/99/40/718019940.db2.gz KGFKTVNEUXAZCD-UHFFFAOYSA-N 2 0 352.567 3.249 20 0 FGADRP Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)CC[C@H]1CCC[NH2+]C1 ZINC000621644325 715014034 /nfs/dbraw/zinc/01/40/34/715014034.db2.gz UNJFSJVMZJXPES-QGZVFWFLSA-N 2 0 361.555 3.262 20 0 FGADRP C[C@H](Cc1ccc(F)cc1Cl)[NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000643346241 718025918 /nfs/dbraw/zinc/02/59/18/718025918.db2.gz UYGSVVAOSKSDGQ-RHSMWYFYSA-N 2 0 353.913 3.168 20 0 FGADRP Brc1cccc2c1OCCC[C@@H]2[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000643534972 718037944 /nfs/dbraw/zinc/03/79/44/718037944.db2.gz GWOADBVABZOAHP-GJZGRUSLSA-N 2 0 351.288 3.395 20 0 FGADRP C[C@@H]([NH2+][C@@H]1CC12CC[NH2+]CC2)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000643533849 718038038 /nfs/dbraw/zinc/03/80/38/718038038.db2.gz FXAWZOUBHNWEPL-DNVCBOLYSA-N 2 0 362.539 3.196 20 0 FGADRP C[N@@H+]1CC[C@@H]([NH2+]C[C@H](CO)Cc2cccc(Br)c2)CC1(C)C ZINC000623507476 715350745 /nfs/dbraw/zinc/35/07/45/715350745.db2.gz MCRGLSRDUPPHBQ-NVXWUHKLSA-N 2 0 369.347 3.063 20 0 FGADRP C[N@@H+]1CC[C@@H]([NH2+][C@@H]2CCN(c3cccc(Br)c3)C2)CC1(C)C ZINC000623509573 715351279 /nfs/dbraw/zinc/35/12/79/715351279.db2.gz JEJFFZAHRFVRKL-HZPDHXFCSA-N 2 0 366.347 3.490 20 0 FGADRP COc1cc(OC)c(C[C@H](C)[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)c(OC)c1 ZINC000623538599 715357110 /nfs/dbraw/zinc/35/71/10/715357110.db2.gz LDHCCTDVGSACGX-GJZGRUSLSA-N 2 0 350.503 3.106 20 0 FGADRP Clc1ccc(N2CCO[C@H](C[NH2+]C3CC[NH+](CC4CC4)CC3)C2)cc1 ZINC000624118577 715475899 /nfs/dbraw/zinc/47/58/99/715475899.db2.gz LCWJTLJIHVKVIB-HXUWFJFHSA-N 2 0 363.933 3.009 20 0 FGADRP CCOC(=O)C(F)(F)[C@H]1CCC[C@@H]([NH2+]C2CC[NH+](C3CCC3)CC2)C1 ZINC000779396791 724411589 /nfs/dbraw/zinc/41/15/89/724411589.db2.gz QKUPSWWUZHDUSN-GOEBONIOSA-N 2 0 358.473 3.350 20 0 FGADRP C[NH+](C)C[C@H](NC(=O)NCC1([NH3+])CCCC1)c1ccc(Cl)c(Cl)c1 ZINC000627114097 715998045 /nfs/dbraw/zinc/99/80/45/715998045.db2.gz XHQSPBKLPWIHGQ-HNNXBMFYSA-N 2 0 373.328 3.167 20 0 FGADRP C[C@@H]1CC[C@@H](NC(=O)N[C@@H](C[NH+](C)C)c2ccc(Cl)c(Cl)c2)C[NH2+]1 ZINC000627209657 716008148 /nfs/dbraw/zinc/00/81/48/716008148.db2.gz UBTMMUXLUSLHET-KFNAQCHYSA-N 2 0 373.328 3.036 20 0 FGADRP C[NH+]1CCC(N2CC[C@H]([NH2+]CCc3cccc(C(F)(F)F)c3)C2)CC1 ZINC000628214925 716126378 /nfs/dbraw/zinc/12/63/78/716126378.db2.gz RQLMBXGRHUWDBQ-KRWDZBQOSA-N 2 0 355.448 3.006 20 0 FGADRP CC1(C)C[C@H]([NH2+]CC2([NH3+])CCOCC2)c2cc(Br)ccc21 ZINC000629522264 716302386 /nfs/dbraw/zinc/30/23/86/716302386.db2.gz YXDQGVXDDJLDRD-HNNXBMFYSA-N 2 0 353.304 3.269 20 0 FGADRP O[C@H](C[NH2+]C[C@H]1CCN1C1CCCCC1)COc1ccc(Cl)cc1 ZINC000629602395 716317794 /nfs/dbraw/zinc/31/77/94/716317794.db2.gz DXLZCONGBILOBH-QZTJIDSGSA-N 2 0 352.906 3.076 20 0 FGADRP O[C@@H]1CCC[C@H]1[NH+]1CCC([NH2+]Cc2ccccc2CC(F)(F)F)CC1 ZINC000631091299 716563241 /nfs/dbraw/zinc/56/32/41/716563241.db2.gz LTYGNXOZQSWVTC-QZTJIDSGSA-N 2 0 356.432 3.259 20 0 FGADRP O=S1(=O)CCC[C@H]([NH2+]Cc2cccc(C[NH+]3CCCCCC3)c2)CC1 ZINC000634957732 717135663 /nfs/dbraw/zinc/13/56/63/717135663.db2.gz WIGYYSXUSBONOT-FQEVSTJZSA-N 2 0 364.555 3.120 20 0 FGADRP Cc1scc(C[NH+]2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)c1C ZINC000637967396 717395815 /nfs/dbraw/zinc/39/58/15/717395815.db2.gz QLPLIMDJRAKCCQ-UHFFFAOYSA-N 2 0 365.587 3.281 20 0 FGADRP CO[C@@H](C[NH2+]CC1CC[NH+](Cc2ccccc2Cl)CC1)[C@@H]1CCOC1 ZINC000638529829 717454763 /nfs/dbraw/zinc/45/47/63/717454763.db2.gz FLUMVLDTYSUQJI-QUCCMNQESA-N 2 0 366.933 3.193 20 0 FGADRP C[C@@H]1OCC[C@@H]1C[NH+]1CCCC2(CCC[N@@H+](C[C@H]3CCO[C@H]3C)C2)C1 ZINC000639646327 717584609 /nfs/dbraw/zinc/58/46/09/717584609.db2.gz ORPQOAAEILWMCP-PPSGHYAZSA-N 2 0 350.547 3.014 20 0 FGADRP CC[C@H]1c2ccsc2CCN1C(=O)C[N@@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639759856 717599888 /nfs/dbraw/zinc/59/98/88/717599888.db2.gz LXNFLOHVOAXKSS-KRWDZBQOSA-N 2 0 361.555 3.002 20 0 FGADRP C[NH+]1CCN(C(C)(C)C[NH2+][C@H](Cc2ccncc2)c2cccs2)CC1 ZINC000643882244 718060141 /nfs/dbraw/zinc/06/01/41/718060141.db2.gz HFNQZOYIWLMFGL-GOSISDBHSA-N 2 0 358.555 3.043 20 0 FGADRP C[C@H]([NH2+][C@H]1CC[C@@](O)(C(F)(F)F)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000644554945 718123525 /nfs/dbraw/zinc/12/35/25/718123525.db2.gz RVJRNTYRHKPINL-QRTARXTBSA-N 2 0 360.420 3.124 20 0 FGADRP O[C@@H](C[NH2+]C1CC[NH+](C2CCC2)CC1)COc1ccc(Cl)c(Cl)c1 ZINC000644663769 718139878 /nfs/dbraw/zinc/13/98/78/718139878.db2.gz JQDNPWQGOZQIFJ-HNNXBMFYSA-N 2 0 373.324 3.340 20 0 FGADRP CC[C@H](C)Oc1cc(C[NH+]2CCC(OCCC[NH3+])CC2)ccc1OC ZINC000647506575 718364410 /nfs/dbraw/zinc/36/44/10/718364410.db2.gz SWSKVMIJJRKTHR-INIZCTEOSA-N 2 0 350.503 3.202 20 0 FGADRP Brc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[C@H]3C[NH2+]C[C@@H]3C1)CCO2 ZINC000647550739 718367202 /nfs/dbraw/zinc/36/72/02/718367202.db2.gz FOGYCMIHLNTJLI-CAVOSLQRSA-N 2 0 351.288 3.250 20 0 FGADRP COc1cc(Br)ccc1CCC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000647793719 718377995 /nfs/dbraw/zinc/37/79/95/718377995.db2.gz GDVPHGBTOFCAQH-BFYDXBDKSA-N 2 0 367.331 3.368 20 0 FGADRP [NH3+][C@@H](C(=O)N1CCC(CCC[NH+]2CCCC2)CC1)c1cccc(Cl)c1 ZINC000648159941 718401957 /nfs/dbraw/zinc/40/19/57/718401957.db2.gz AZJSFHPNLDGTCT-LJQANCHMSA-N 2 0 363.933 3.454 20 0 FGADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2cc3cc(Cl)cnc3o2)C1 ZINC000648379247 718420489 /nfs/dbraw/zinc/42/04/89/718420489.db2.gz WTHVQXDFDRMXCA-MRXNPFEDSA-N 2 0 351.878 3.414 20 0 FGADRP C[NH+](C)CCOc1cc(C[NH2+]Cc2cc3cc(Cl)cnc3o2)ccn1 ZINC000648503511 718432664 /nfs/dbraw/zinc/43/26/64/718432664.db2.gz ZPNTVSIQHQYUCM-UHFFFAOYSA-N 2 0 360.845 3.106 20 0 FGADRP CCC[N@H+](C)[C@@H](CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)c1ccc(Cl)cc1 ZINC000648899645 718458106 /nfs/dbraw/zinc/45/81/06/718458106.db2.gz UNUQRNVYBYCHCU-OLMNPRSZSA-N 2 0 351.922 3.179 20 0 FGADRP CC(C)CC[NH+]1CCC(CNC(=O)[C@H]([NH3+])c2cccc(Cl)c2)CC1 ZINC000649346907 718506197 /nfs/dbraw/zinc/50/61/97/718506197.db2.gz WLGAMEKBEKDEDR-GOSISDBHSA-N 2 0 351.922 3.214 20 0 FGADRP CC[C@@]1([NH2+]Cc2ccc(F)c(C[NH2+][C@@]3(CC)CCOC3)c2)CCOC1 ZINC000649482967 718519467 /nfs/dbraw/zinc/51/94/67/718519467.db2.gz XMPMPDWAJOCHLE-UXHICEINSA-N 2 0 350.478 3.143 20 0 FGADRP C[C@H]1OCC[C@]1(C)[NH2+]Cc1cc(C[NH2+][C@@]2(C)CCO[C@H]2C)ccc1F ZINC000649489584 718520599 /nfs/dbraw/zinc/52/05/99/718520599.db2.gz SZLVPVJXVOULNY-VZJWBNGJSA-N 2 0 350.478 3.140 20 0 FGADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@H+](Cc3ccc(OCC(F)F)cc3)C2)C1 ZINC000650706091 718716808 /nfs/dbraw/zinc/71/68/08/718716808.db2.gz CYPJWLKNUDHWSB-NUJGCVRESA-N 2 0 354.441 3.049 20 0 FGADRP COc1ccc2nc(C[N@@H+]3CCC[C@H]([C@@H]4C[C@H]([NH3+])CCO4)C3)sc2c1 ZINC000650707484 718717490 /nfs/dbraw/zinc/71/74/90/718717490.db2.gz HAXHHTZNFKRYCA-VBQJREDUSA-N 2 0 361.511 3.023 20 0 FGADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2Cc2ccccc2Br)C1 ZINC000650722433 718719872 /nfs/dbraw/zinc/71/98/72/718719872.db2.gz SQASEWZQIYVYGL-OIISXLGYSA-N 2 0 353.304 3.310 20 0 FGADRP COc1ccc2nc(C[N@@H+]3CCCC[C@@H]3[C@H]3C[C@H]([NH3+])CCO3)sc2c1 ZINC000650724010 718721238 /nfs/dbraw/zinc/72/12/38/718721238.db2.gz WUURVTBGCRRYCH-KBRIMQKVSA-N 2 0 361.511 3.166 20 0 FGADRP CC[N@H+](CCCNC(=O)N[C@@H](C)C1CC[NH+](C)CC1)C1CCCCC1 ZINC000650895289 718741498 /nfs/dbraw/zinc/74/14/98/718741498.db2.gz WASOSTFLTDHTGC-KRWDZBQOSA-N 2 0 352.567 3.061 20 0 FGADRP C[C@@H]1CN(C(=O)Nc2ccc(SCC[NH+]3CCCC3)cc2)CC[C@H]1[NH3+] ZINC000652613441 718965980 /nfs/dbraw/zinc/96/59/80/718965980.db2.gz UNMXVWGKXHPUQT-CRAIPNDOSA-N 2 0 362.543 3.076 20 0 FGADRP [NH3+]C[C@H]1CC[C@@H](NC(=O)Nc2ccc(SCC[NH+]3CCCC3)cc2)C1 ZINC000652614092 718966446 /nfs/dbraw/zinc/96/64/46/718966446.db2.gz NRSZVCATGQPXGZ-DOTOQJQBSA-N 2 0 362.543 3.123 20 0 FGADRP CCO[C@H](CC[NH+](C)C)C[NH2+]Cc1cn(-c2ccccc2Cl)nc1C ZINC000655745841 719333938 /nfs/dbraw/zinc/33/39/38/719333938.db2.gz GFTHTNDDAHZSEM-QGZVFWFLSA-N 2 0 364.921 3.281 20 0 FGADRP C[NH+](C)Cc1cc(NC2CC[NH+](C[C@H]3CCCO3)CC2)ccc1Cl ZINC000655764150 719336613 /nfs/dbraw/zinc/33/66/13/719336613.db2.gz WSBULJXUWRIKNM-GOSISDBHSA-N 2 0 351.922 3.457 20 0 FGADRP Cn1nc(C(F)(F)F)cc1C[NH2+]Cc1ccc(C[NH+]2CCCC2)cc1 ZINC000657296412 719620990 /nfs/dbraw/zinc/62/09/90/719620990.db2.gz HMFGFQIFPDYFRN-UHFFFAOYSA-N 2 0 352.404 3.325 20 0 FGADRP Clc1ccccc1C[NH+]1CCC(C[NH2+]Cc2cnn3c2CCC3)CC1 ZINC000657354043 719632308 /nfs/dbraw/zinc/63/23/08/719632308.db2.gz NMGYLKSXILVDCT-UHFFFAOYSA-N 2 0 358.917 3.485 20 0 FGADRP c1cc(C[NH2+]CC[C@@H]2CSc3ccccc3O2)n(-c2cc[nH+]cc2)n1 ZINC000657497989 719660959 /nfs/dbraw/zinc/66/09/59/719660959.db2.gz JAMLESDPRSXJKZ-QGZVFWFLSA-N 2 0 352.463 3.300 20 0 FGADRP C[C@H]([NH2+]CCCN1CC[NH+](C)CC1)c1ccc(Br)c(Cl)c1 ZINC000657823633 719717545 /nfs/dbraw/zinc/71/75/45/719717545.db2.gz ITVHTLWCOQRLEG-ZDUSSCGKSA-N 2 0 374.754 3.391 20 0 FGADRP CCO[C@H]1C[C@@H]([NH2+]CC2CC[NH+](C3CCOCC3)CC2)C12CCCC2 ZINC000658068779 719750957 /nfs/dbraw/zinc/75/09/57/719750957.db2.gz ZRTIVGMJUCLZFC-UXHICEINSA-N 2 0 350.547 3.205 20 0 FGADRP CCO[C@H]1C[C@H]([NH2+]CC2CC[NH+](C3CCOCC3)CC2)C12CCCC2 ZINC000658068778 719751058 /nfs/dbraw/zinc/75/10/58/719751058.db2.gz ZRTIVGMJUCLZFC-PMACEKPBSA-N 2 0 350.547 3.205 20 0 FGADRP c1ccc2c(c1)CCSC[C@H]2[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000658068765 719751150 /nfs/dbraw/zinc/75/11/50/719751150.db2.gz ZDZWYTJCULTXDK-OAQYLSRUSA-N 2 0 360.567 3.498 20 0 FGADRP c1ccc2c(CC[NH+]3CCC(OCC[NH+]4CCCC4)CC3)nsc2c1 ZINC000659974727 719966204 /nfs/dbraw/zinc/96/62/04/719966204.db2.gz PMQHGQCMXXMALX-UHFFFAOYSA-N 2 0 359.539 3.416 20 0 FGADRP OC1(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)CCSCC1 ZINC000660010315 719971335 /nfs/dbraw/zinc/97/13/35/719971335.db2.gz IFXCDFGOKVMWAI-WOJBJXKFSA-N 2 0 360.567 3.231 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1)c1ccsc1 ZINC000660338740 720032890 /nfs/dbraw/zinc/03/28/90/720032890.db2.gz LWZJAZDUXPHLBE-DLBZAZTESA-N 2 0 366.575 3.303 20 0 FGADRP C[C@@H]1CCC[N@H+](CCC(=O)NCc2ccccc2Cl)[C@@H]1CCC[NH3+] ZINC000662313688 720414163 /nfs/dbraw/zinc/41/41/63/720414163.db2.gz KSSAVQJJYJCYPT-CRAIPNDOSA-N 2 0 351.922 3.186 20 0 FGADRP C[N@@H+](CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)C[C@H]1CC1(C)C ZINC000662345820 720417431 /nfs/dbraw/zinc/41/74/31/720417431.db2.gz MDTVMZQWSORUPR-QGZVFWFLSA-N 2 0 361.555 3.152 20 0 FGADRP CC[NH+](CC)CCN(Cc1ccc(Cl)cc1)C(=O)c1coc(C[NH3+])c1 ZINC000662656793 720450506 /nfs/dbraw/zinc/45/05/06/720450506.db2.gz SVKZININSXOGBE-UHFFFAOYSA-N 2 0 363.889 3.376 20 0 FGADRP CC(C)[N@H+](C)Cc1cccc(CNC(=O)c2cc3c(s2)CC[NH2+]C3)c1 ZINC000662696374 720453209 /nfs/dbraw/zinc/45/32/09/720453209.db2.gz YHIZVYMUUSXNNK-UHFFFAOYSA-N 2 0 357.523 3.164 20 0 FGADRP C[C@](O)(C[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2)C(F)(F)F ZINC000663368264 720506481 /nfs/dbraw/zinc/50/64/81/720506481.db2.gz CFJSLHOCCHPZSP-IRXDYDNUSA-N 2 0 356.432 3.192 20 0 FGADRP CC(C)[N@H+]1[C@@H]2CCN(c3[nH+]ccc4[nH]ccc43)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164837871 720512193 /nfs/dbraw/zinc/51/21/93/720512193.db2.gz QGSDXOXBJZQIFI-ABSDTBQOSA-N 2 0 364.497 3.137 20 0 FGADRP CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000663452494 720516728 /nfs/dbraw/zinc/51/67/28/720516728.db2.gz ZKICJIRBHGCYOU-CVEARBPZSA-N 2 0 364.559 3.057 20 0 FGADRP CC(C)[C@H]([NH3+])CC[NH2+]C1CCN(Cc2ccccc2Br)CC1 ZINC000663499287 720519873 /nfs/dbraw/zinc/51/98/73/720519873.db2.gz IFTPUGJPWDQQBS-GOSISDBHSA-N 2 0 368.363 3.377 20 0 FGADRP C[NH2+]CCCC(=O)N1CCC([NH2+]Cc2cccc(Cl)c2Cl)CC1 ZINC000663502914 720520224 /nfs/dbraw/zinc/52/02/24/720520224.db2.gz IVVWSLYDUKGHTQ-UHFFFAOYSA-N 2 0 358.313 3.074 20 0 FGADRP CC(C)[C@H]([NH3+])CC[NH2+]Cc1cnn(Cc2ccc(C(F)(F)F)cc2)c1 ZINC000663502017 720520238 /nfs/dbraw/zinc/52/02/38/720520238.db2.gz CYTXOMQXPZWBAH-QGZVFWFLSA-N 2 0 354.420 3.413 20 0 FGADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]CC1(Cc2ccc(Br)cc2)CC1 ZINC000665264713 720748641 /nfs/dbraw/zinc/74/86/41/720748641.db2.gz GRIFFTFOICQBSM-RRQGHBQHSA-N 2 0 367.331 3.114 20 0 FGADRP Cc1cc2[nH]ccc2c(N2CCn3c(C[N@@H+](C)C(C)C)cnc3[C@@H]2C)[nH+]1 ZINC001164860383 720970328 /nfs/dbraw/zinc/97/03/28/720970328.db2.gz NRMMMPRDTQLQNU-HNNXBMFYSA-N 2 0 352.486 3.489 20 0 FGADRP Brc1ccccc1CN1CCC([NH2+][C@@H]2CCC[NH2+]CC2)CC1 ZINC000666857747 720991648 /nfs/dbraw/zinc/99/16/48/720991648.db2.gz HRKBJUCTXQFUBU-MRXNPFEDSA-N 2 0 366.347 3.145 20 0 FGADRP FC(F)Oc1ccc(C[NH2+][C@H]2CC23CC[NH2+]CC3)cc1Br ZINC000666952119 721004535 /nfs/dbraw/zinc/00/45/35/721004535.db2.gz GNHIKUNRDYWACC-ZDUSSCGKSA-N 2 0 361.230 3.282 20 0 FGADRP C[C@H](CCNC(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1)[NH+](C)C ZINC000667288837 721068589 /nfs/dbraw/zinc/06/85/89/721068589.db2.gz XKLZELLAHMABMB-MRXNPFEDSA-N 2 0 364.559 3.336 20 0 FGADRP CC(C)[NH2+][C@@H]1CCCN(C(=O)Nc2cc(C[NH3+])cc(C(F)(F)F)c2)C1 ZINC000667826114 721179002 /nfs/dbraw/zinc/17/90/02/721179002.db2.gz VOWROKACINRGEQ-CQSZACIVSA-N 2 0 358.408 3.158 20 0 FGADRP Cn1ccc2c1cc[nH+]c2N1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164897080 721522723 /nfs/dbraw/zinc/52/27/23/721522723.db2.gz DPRHYBPLGZUKAO-FUHWJXTLSA-N 2 0 366.440 3.054 20 0 FGADRP CCc1ccc(Cl)c(CC)c1NC(=O)CCC[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000675953939 721780294 /nfs/dbraw/zinc/78/02/94/721780294.db2.gz PSGODFJPBCOCPX-IYBDPMFKSA-N 2 0 363.933 3.335 20 0 FGADRP Cc1nc([C@@H](C)[NH2+]CCCN2CCN(c3cc[nH+]cc3)CC2)c(C)s1 ZINC000676489023 721808707 /nfs/dbraw/zinc/80/87/07/721808707.db2.gz GWCZHTRXTQNMRT-OAHLLOKOSA-N 2 0 359.543 3.018 20 0 FGADRP CN(C)c1cc[nH+]c(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)c1 ZINC001165026194 721811156 /nfs/dbraw/zinc/81/11/56/721811156.db2.gz PKHYISWOWMRXEH-WMQCIHAUSA-N 2 0 365.525 3.280 20 0 FGADRP C[C@H](C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)Oc1cccc(Br)c1 ZINC000677241232 721875564 /nfs/dbraw/zinc/87/55/64/721875564.db2.gz NUFCYBLATDCCIN-VNQPRFMTSA-N 2 0 353.304 3.433 20 0 FGADRP C[NH+]1CCC(N2CC[C@H]([NH2+][C@@H]3CCCOc4cc(Cl)ccc43)C2)CC1 ZINC000678770861 721977574 /nfs/dbraw/zinc/97/75/74/721977574.db2.gz INQUINIOOYRPLI-QFBILLFUSA-N 2 0 363.933 3.312 20 0 FGADRP C[N@@H+]1CCCC[C@H](C[NH2+][C@@H]2CCCC[C@H]2CNC(=O)OC(C)(C)C)C1 ZINC000700802397 722409930 /nfs/dbraw/zinc/40/99/30/722409930.db2.gz IQTKMHWHKGWSQB-FGTMMUONSA-N 2 0 353.551 3.391 20 0 FGADRP C[N@@H+]1CCCC[C@@H](C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)N(C(=O)OC(C)(C)C)C3)C1 ZINC000709458747 722413153 /nfs/dbraw/zinc/41/31/53/722413153.db2.gz OFBJUYLKQVHILF-FJIDUMEYSA-N 2 0 351.535 3.096 20 0 FGADRP C[C@@H]([NH2+]CC[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C)C1CC[NH+](C)CC1 ZINC000721028184 722419756 /nfs/dbraw/zinc/41/97/56/722419756.db2.gz OZDWVUZYVSYJPZ-JFIYKMOQSA-N 2 0 353.551 3.199 20 0 FGADRP CC[N@@H+]1CC[C@@H]([NH+](C)CC2CCN(C(=O)OC(C)(C)C)CC2)C[C@H]1C ZINC000740886327 722539128 /nfs/dbraw/zinc/53/91/28/722539128.db2.gz MDNPHMQJCYKEEU-SJLPKXTDSA-N 2 0 353.551 3.438 20 0 FGADRP C[NH+]1CCC(C[NH2+]Cc2occc2Br)(N2CCCCC2)CC1 ZINC000742380339 722556604 /nfs/dbraw/zinc/55/66/04/722556604.db2.gz OMDNAIDFDAGCLJ-UHFFFAOYSA-N 2 0 370.335 3.082 20 0 FGADRP CC(C)[NH+](CCNC(=O)NC1CCC([NH+]2CCCCC2)CC1)C(C)C ZINC000751073340 722793454 /nfs/dbraw/zinc/79/34/54/722793454.db2.gz PJULDQHBRCAXCI-UHFFFAOYSA-N 2 0 352.567 3.202 20 0 FGADRP C[C@H](NC(=O)OC(C)(C)C)C1CC[NH+](CC[C@H]2CCCC[N@@H+]2C)CC1 ZINC000760840210 723097617 /nfs/dbraw/zinc/09/76/17/723097617.db2.gz GRSYRBNLYHNVAU-FUHWJXTLSA-N 2 0 353.551 3.486 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@](C)(O)c2cccc(Cl)c2)[C@H](C)C1 ZINC000765817704 723542856 /nfs/dbraw/zinc/54/28/56/723542856.db2.gz PQLOFULBBCGVQP-UXPWSPDFSA-N 2 0 368.949 3.274 20 0 FGADRP COc1c(C)cc([C@@H](C)[NH2+][C@@H](C)CCN2CC[NH+](C)CC2)cc1Cl ZINC000796945098 723660278 /nfs/dbraw/zinc/66/02/78/723660278.db2.gz LBZPLFQEXSLESI-JKSUJKDBSA-N 2 0 353.938 3.334 20 0 FGADRP CC(C)(C)OC(=O)N1CC[C@](C)(C[NH2+]C2CC[NH+](C3CCC3)CC2)C1 ZINC000798947970 723977935 /nfs/dbraw/zinc/97/79/35/723977935.db2.gz VAMQINWXIYMNPK-HXUWFJFHSA-N 2 0 351.535 3.240 20 0 FGADRP CC[NH+](CC)Cc1ccccc1C[NH2+]Cc1cc(Br)nn1C ZINC000785413788 724911311 /nfs/dbraw/zinc/91/13/11/724911311.db2.gz SBMIJVGDOHOWJN-UHFFFAOYSA-N 2 0 365.319 3.314 20 0 FGADRP C[C@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1[NH2+]CCC[NH+]1CCCCC1 ZINC000788503599 725068503 /nfs/dbraw/zinc/06/85/03/725068503.db2.gz DOULCDSKSQZEFY-ZWKOTPCHSA-N 2 0 353.551 3.488 20 0 FGADRP C[C@H]([NH2+]CCCC[NH+]1CCC(C)CC1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000788527969 725070674 /nfs/dbraw/zinc/07/06/74/725070674.db2.gz MXDLAOPONNMVCB-KRWDZBQOSA-N 2 0 353.551 3.344 20 0 FGADRP C[C@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000788732126 725084374 /nfs/dbraw/zinc/08/43/74/725084374.db2.gz CWSDRPSEFHIOCY-IRXDYDNUSA-N 2 0 353.551 3.344 20 0 FGADRP CC[NH+](CC)CCN(Cc1cccs1)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000810533337 725313012 /nfs/dbraw/zinc/31/30/12/725313012.db2.gz LYMPTUVJYLWRFN-IRXDYDNUSA-N 2 0 351.560 3.149 20 0 FGADRP C[C@@H](NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1)c1cccnc1Cl ZINC000817984785 727290429 /nfs/dbraw/zinc/29/04/29/727290429.db2.gz ZZMRHRGWASGOFK-MRXNPFEDSA-N 2 0 358.917 3.379 20 0 FGADRP C[C@](O)(C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(Br)cc1F ZINC000818963631 727331427 /nfs/dbraw/zinc/33/14/27/727331427.db2.gz WCMZNTZOPAACSL-ZQIUZPCESA-N 2 0 371.294 3.012 20 0 FGADRP CCC[NH+]1CCC(C[NH2+]C[C@@H](O)c2ccc(F)c(Br)c2)CC1 ZINC000818990823 727335519 /nfs/dbraw/zinc/33/55/19/727335519.db2.gz PNGVHCGYPAQBOT-QGZVFWFLSA-N 2 0 373.310 3.333 20 0 FGADRP CC(C)(C)OC(=O)NC[C@H]1CC[C@H]([NH2+]C2CC[NH+](CC3CC3)CC2)C1 ZINC000825262486 729376069 /nfs/dbraw/zinc/37/60/69/729376069.db2.gz IKLGMBZJLOLMAW-WMZOPIPTSA-N 2 0 351.535 3.144 20 0 FGADRP Cc1cc([C@H]([NH3+])CC(=O)NCCCC[NH+]2CCC(C)CC2)cc(Cl)n1 ZINC000827114546 729424667 /nfs/dbraw/zinc/42/46/67/729424667.db2.gz MAKRELWRDLCXCH-QGZVFWFLSA-N 2 0 366.937 3.062 20 0 FGADRP Cc1cc(C[NH+](C)C)cc(NC(=O)C[C@@H]([NH3+])c2cc(C)nc(Cl)c2)c1 ZINC000831464933 729644212 /nfs/dbraw/zinc/64/42/12/729644212.db2.gz AMTJTFLHVAWHGG-QGZVFWFLSA-N 2 0 360.889 3.442 20 0 FGADRP CC[NH+](CC)CCC[C@@H](C)NC(=O)C[C@H]([NH3+])c1cc(C)nc(Cl)c1 ZINC000831769627 729666446 /nfs/dbraw/zinc/66/64/46/729666446.db2.gz UEKQBQYYKANYMR-CJNGLKHVSA-N 2 0 354.926 3.060 20 0 FGADRP Cc1cc([C@H]([NH3+])CC(=O)NCCC[N@@H+](C)C2CCCCC2)cc(Cl)n1 ZINC000831822820 729670259 /nfs/dbraw/zinc/67/02/59/729670259.db2.gz OYXVWGAHPMPXHS-QGZVFWFLSA-N 2 0 366.937 3.204 20 0 FGADRP C[C@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000840808731 730177400 /nfs/dbraw/zinc/17/74/00/730177400.db2.gz OPEDWRSWZMFJEZ-UONOGXRCSA-N 2 0 360.470 3.065 20 0 FGADRP CCOC(=O)C(F)(F)[C@H]1CCC[C@H]([NH2+]Cc2ccc(CC[NH3+])cc2)C1 ZINC000841034354 730205001 /nfs/dbraw/zinc/20/50/01/730205001.db2.gz XIXJZIBKFDLFEO-IRXDYDNUSA-N 2 0 354.441 3.035 20 0 FGADRP C[C@@H](CNC(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1)[NH+]1CCCCC1 ZINC000841323864 730232341 /nfs/dbraw/zinc/23/23/41/730232341.db2.gz RPQHKNZBPGCZGX-LBPRGKRZSA-N 2 0 358.408 3.160 20 0 FGADRP Ic1ccccc1C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000843045075 730573414 /nfs/dbraw/zinc/57/34/14/730573414.db2.gz HNYLVZBLRTWOPJ-INIZCTEOSA-N 2 0 370.278 3.255 20 0 FGADRP Cc1nn(Cc2ccccc2)c(Cl)c1C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000843126278 730588953 /nfs/dbraw/zinc/58/89/53/730588953.db2.gz HOCWDZNGZUMZCW-HDICACEKSA-N 2 0 358.917 3.325 20 0 FGADRP C[N@H+](CC(=O)Nc1ccc(Cl)cc1C(F)(F)F)C1CCC([NH3+])CC1 ZINC000843353351 730609945 /nfs/dbraw/zinc/60/99/45/730609945.db2.gz YHWNGMGPYZOPSO-UHFFFAOYSA-N 2 0 363.811 3.499 20 0 FGADRP Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)c1cccc(C[NH3+])c1 ZINC000844180211 730690732 /nfs/dbraw/zinc/69/07/32/730690732.db2.gz PMRBSMJFEZNQNI-UHFFFAOYSA-N 2 0 355.507 3.255 20 0 FGADRP C[C@@H](C[NH2+]C1CC(CCNC(=O)OC(C)(C)C)C1)C[NH+]1CCCCC1 ZINC000845928756 730910178 /nfs/dbraw/zinc/91/01/78/730910178.db2.gz QLRRBZYERVAJJG-AOCRQIFASA-N 2 0 353.551 3.391 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc(-c2csc(C)n2)s1 ZINC000849055856 731225042 /nfs/dbraw/zinc/22/50/42/731225042.db2.gz HIEMGAHXOIPYHS-ZDUSSCGKSA-N 2 0 363.556 3.278 20 0 FGADRP COC1CC[NH+](CCNC(=[NH2+])N[C@@H](C)c2ccc(Cl)cc2Cl)CC1 ZINC000849103350 731229547 /nfs/dbraw/zinc/22/95/47/731229547.db2.gz OUAQQOMAESJUID-LBPRGKRZSA-N 2 0 373.328 3.279 20 0 FGADRP CC(C)c1nn(C)c(Cl)c1C[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000850344702 731345115 /nfs/dbraw/zinc/34/51/15/731345115.db2.gz SSXFCKJFSNOHRM-UHFFFAOYSA-N 2 0 368.953 3.178 20 0 FGADRP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+][C@H]3CCC[C@@H](C(F)(F)F)C3)cc2)C1 ZINC000850357640 731348131 /nfs/dbraw/zinc/34/81/31/731348131.db2.gz QJBAGPAXARHCPZ-FGTMMUONSA-N 2 0 356.432 3.464 20 0 FGADRP CO[C@@H]1CC[C@H]([NH+]2CCC[C@@]3(CCC[N@@H+]([C@H]4CC[C@H](OC)C4)C3)C2)C1 ZINC000852057320 731539494 /nfs/dbraw/zinc/53/94/94/731539494.db2.gz KZSGVPMTURJZGK-ALGQRKQJSA-N 2 0 350.547 3.299 20 0 FGADRP C[N@@H+]1CC[C@]2(C1)CCC[NH+](CC[C@H]1CCN(C(=O)OC(C)(C)C)C1)C2 ZINC000852107750 731544318 /nfs/dbraw/zinc/54/43/18/731544318.db2.gz PVCWTWPKIDHXTE-PXNSSMCTSA-N 2 0 351.535 3.051 20 0 FGADRP CCOC(=O)C(F)(F)[C@@H]1CC[C@@H]([NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)C1 ZINC000853239149 731686099 /nfs/dbraw/zinc/68/60/99/731686099.db2.gz BHDBEGVTDJWYPK-BRWVUGGUSA-N 2 0 358.473 3.065 20 0 FGADRP C[C@@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000858492100 732220164 /nfs/dbraw/zinc/22/01/64/732220164.db2.gz SZKMREOUBPMTTN-FGTMMUONSA-N 2 0 353.551 3.486 20 0 FGADRP CC[C@@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000858491473 732220284 /nfs/dbraw/zinc/22/02/84/732220284.db2.gz IRQHZLOKVRSARK-KSZLIROESA-N 2 0 353.551 3.486 20 0 FGADRP CC[NH+](CC)CC1CC[NH+](CCC2CN(C(=O)OC(C)(C)C)C2)CC1 ZINC000859076998 732275120 /nfs/dbraw/zinc/27/51/20/732275120.db2.gz OUZSMDVXMVYJTA-UHFFFAOYSA-N 2 0 353.551 3.297 20 0 FGADRP C[NH+](C)Cc1ccc(C[N@H+](C)C[C@@H](O)COc2ccc(Cl)cc2)cc1 ZINC000859213305 732290792 /nfs/dbraw/zinc/29/07/92/732290792.db2.gz GGQKEVOGSKIOKD-LJQANCHMSA-N 2 0 362.901 3.273 20 0 FGADRP C[N@@H+]1CCC[C@H](CC[NH2+]C[C@@H](CC(F)(F)F)NC(=O)OC(C)(C)C)C1 ZINC000865600954 733235045 /nfs/dbraw/zinc/23/50/45/733235045.db2.gz WMKDRVYGLVGEKS-ZIAGYGMSSA-N 2 0 367.456 3.154 20 0 FGADRP C[NH+](C)C1(C)CCC([NH2+]Cc2cnc3ccc(Br)cn23)CC1 ZINC000865765698 733266153 /nfs/dbraw/zinc/26/61/53/733266153.db2.gz HYCPSTICWOUKFJ-UHFFFAOYSA-N 2 0 365.319 3.449 20 0 FGADRP C[NH+](C)CCCC[NH2+][C@@H](c1cccc(Br)c1)[C@@H]1CCOC1 ZINC000872028577 735578603 /nfs/dbraw/zinc/57/86/03/735578603.db2.gz KQGNCMBZJLEZQO-WBVHZDCISA-N 2 0 355.320 3.458 20 0 FGADRP Cc1sc(C[NH2+][C@@H]2CCN(C3CC[NH+](C)CC3)C2)cc1Br ZINC000873051344 735714341 /nfs/dbraw/zinc/71/43/41/735714341.db2.gz IVHCMSLZQPYPJC-CYBMUJFWSA-N 2 0 372.376 3.077 20 0 FGADRP CC[NH+]1CCN(c2cccc(NCc3cc4c(s3)CC[NH2+]C4)c2)CC1 ZINC000873211936 735738381 /nfs/dbraw/zinc/73/83/81/735738381.db2.gz TYBAIGFLWIIUHH-UHFFFAOYSA-N 2 0 356.539 3.148 20 0 FGADRP CCOC(=O)c1sc(C2CC[NH+](C[C@H]3CC[NH2+][C@H](C)C3)CC2)nc1C ZINC000873222992 735739607 /nfs/dbraw/zinc/73/96/07/735739607.db2.gz JBNXUBMLIVOLEP-HIFRSBDPSA-N 2 0 365.543 3.196 20 0 FGADRP CCOc1c(OC)cc(C[N@@H+]2CC[C@](C[NH3+])(C(C)(C)C)C2)cc1OC ZINC000873223458 735739634 /nfs/dbraw/zinc/73/96/34/735739634.db2.gz NSFXWAFWAMRFNH-HXUWFJFHSA-N 2 0 350.503 3.299 20 0 FGADRP COc1ccc(OCc2nc(C[NH2+][C@@H](C)C3CC[NH2+]CC3)cs2)cc1 ZINC000873222187 735739730 /nfs/dbraw/zinc/73/97/30/735739730.db2.gz FKNWIWURTVFFOM-AWEZNQCLSA-N 2 0 361.511 3.208 20 0 FGADRP COc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000873260326 735744510 /nfs/dbraw/zinc/74/45/10/735744510.db2.gz YLMXJINFJUFGJV-LUYZLQTOSA-N 2 0 365.905 3.186 20 0 FGADRP C[C@H]([NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2)c1ccccc1Br ZINC000873289495 735746595 /nfs/dbraw/zinc/74/65/95/735746595.db2.gz ISSKEESKRHVWNB-KBPBESRZSA-N 2 0 353.304 3.258 20 0 FGADRP CC[NH+](CC)CCC[C@@H](C)NC(=O)[C@H]([NH3+])c1cccc(C(F)(F)F)c1 ZINC000876708039 736135071 /nfs/dbraw/zinc/13/50/71/736135071.db2.gz FWIKEYXRZDGPMO-CZUORRHYSA-N 2 0 359.436 3.332 20 0 FGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]Cc2cc3nc(Cl)ccc3s2)CC1 ZINC000877017637 736175655 /nfs/dbraw/zinc/17/56/55/736175655.db2.gz VMBREPCENCJYAR-AWEZNQCLSA-N 2 0 366.962 3.313 20 0 FGADRP CCO[P@](C)(=O)CC[C@@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000877190845 736197085 /nfs/dbraw/zinc/19/70/85/736197085.db2.gz BDTXIBYDWJDCEV-JIZVJVNCSA-N 2 0 368.458 3.066 20 0 FGADRP C[N@@H+]1CC[C@@]2(CC[NH+](C[C@H]3CCCCN(C(=O)OC(C)(C)C)C3)C2)C1 ZINC000877546555 736682182 /nfs/dbraw/zinc/68/21/82/736682182.db2.gz UAURXIULXZZHDJ-YLJYHZDGSA-N 2 0 351.535 3.051 20 0 FGADRP C[NH+]1CCC2(CC1)CC[NH+](Cc1c(F)cncc1Br)CC2 ZINC000877683785 736704349 /nfs/dbraw/zinc/70/43/49/736704349.db2.gz IMXPRWYWAVKHDE-UHFFFAOYSA-N 2 0 356.283 3.291 20 0 FGADRP C([C@@H]1CCC2(CCOCC2)O1)[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000878050129 736763753 /nfs/dbraw/zinc/76/37/53/736763753.db2.gz QWGPZKVOKLEQGV-PMACEKPBSA-N 2 0 350.547 3.303 20 0 FGADRP C[S@](=O)[C@@H]1CCC[C@@H]([NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)C1 ZINC000886636086 739278052 /nfs/dbraw/zinc/27/80/52/739278052.db2.gz FWOAIFTYBMEPGV-XPDGTVHJSA-N 2 0 360.567 3.319 20 0 FGADRP OC[C@]1(C(F)(F)F)CC[N@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000886813542 739305521 /nfs/dbraw/zinc/30/55/21/739305521.db2.gz ONKCTHKSNUFNAJ-SFHVURJKSA-N 2 0 356.432 3.419 20 0 FGADRP CC(=O)Nc1cc(Br)ccc1C[N@H+](C)CC1CC[NH+](C)CC1 ZINC000891934089 739952528 /nfs/dbraw/zinc/95/25/28/739952528.db2.gz QINABHDDGHDNMM-UHFFFAOYSA-N 2 0 368.319 3.181 20 0 FGADRP Oc1cc(Cl)cc(C[NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)c1 ZINC000892396332 739997002 /nfs/dbraw/zinc/99/70/02/739997002.db2.gz APCXOUBLRMQMNM-UHFFFAOYSA-N 2 0 360.885 3.292 20 0 FGADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+]CC2(C)CC[NH+](C)CC2)C[C@H]1C(F)(F)F ZINC000893470361 742157359 /nfs/dbraw/zinc/15/73/59/742157359.db2.gz HOIQOSNCFOEIPX-RRFJBIMHSA-N 2 0 364.452 3.218 20 0 FGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+]Cc2cc3ccnc(Cl)c3s2)CC1 ZINC000894238223 742256906 /nfs/dbraw/zinc/25/69/06/742256906.db2.gz QWZODNRWOLWONG-CQSZACIVSA-N 2 0 366.962 3.313 20 0 FGADRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2cc3ccnc(Cl)c3s2)CC1 ZINC000894942173 742355142 /nfs/dbraw/zinc/35/51/42/742355142.db2.gz WMRPODYTGOOSED-UHFFFAOYSA-N 2 0 366.962 3.455 20 0 FGADRP [NH3+][C@@H]1CC[C@H](C[NH2+]C2(c3cccc(Br)c3)CCOCC2)C1 ZINC000903441345 743852039 /nfs/dbraw/zinc/85/20/39/743852039.db2.gz OEJMAWVLVKSLES-XJKSGUPXSA-N 2 0 353.304 3.172 20 0 FGADRP [NH3+][C@H]1CCO[C@@H](C2CC[NH+](CCOc3ccc(F)c(Cl)c3)CC2)C1 ZINC000903761336 743881325 /nfs/dbraw/zinc/88/13/25/743881325.db2.gz QDKAYYPLMBLXFG-KBXCAEBGSA-N 2 0 356.869 3.076 20 0 FGADRP CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@H]([NH2+]C[C@@]3(C)CCC[NH2+]C3)C[C@@H]2C1 ZINC000904372091 743950011 /nfs/dbraw/zinc/95/00/11/743950011.db2.gz YIDQXEBIVDIDCJ-XLSPSMHOSA-N 2 0 351.535 3.001 20 0 FGADRP Cc1cc(C[NH+](C)C)ccc1NC(=O)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000909604424 744379108 /nfs/dbraw/zinc/37/91/08/744379108.db2.gz UFWLZVNWKLYTIO-GOSISDBHSA-N 2 0 361.555 3.213 20 0 FGADRP CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1ccc(C(F)(F)F)cc1)C2 ZINC000922386565 758909321 /nfs/dbraw/zinc/90/93/21/758909321.db2.gz ICYHLNQZDXQZAG-ZJPYXAASSA-N 2 0 356.432 3.275 20 0 FGADRP CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1cnc(C3CCCC3)s1)C2 ZINC000922388220 758910582 /nfs/dbraw/zinc/91/05/82/758910582.db2.gz NOGKSPHJYYJBDP-FTEYMNFISA-N 2 0 363.571 3.370 20 0 FGADRP CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3cnc(C(C)(C)C)s3)C2)[C@H]1C(C)C ZINC000922391710 758911762 /nfs/dbraw/zinc/91/17/62/758911762.db2.gz GKSNOFGDSQRPMC-VIPLHTEESA-N 2 0 365.587 3.400 20 0 FGADRP CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1cc3cc(Cl)cnc3o1)C2 ZINC000922391542 758911787 /nfs/dbraw/zinc/91/17/87/758911787.db2.gz WMVHFCCXJYGNJQ-VXIBKDFQSA-N 2 0 363.889 3.051 20 0 FGADRP CC[N@@H+]1CC[C@@H](C[NH2+]C2CC3(C2)CCN(C(=O)OC(C)(C)C)CC3)C1 ZINC000924707374 759374399 /nfs/dbraw/zinc/37/43/99/759374399.db2.gz UGILYNMYUSJIBK-INIZCTEOSA-N 2 0 351.535 3.098 20 0 FGADRP C[NH+]1CCC(O)(C[NH2+][C@H](Cc2ccc(F)cc2Cl)c2ccco2)CC1 ZINC000925118477 759450163 /nfs/dbraw/zinc/45/01/63/759450163.db2.gz SFBJCARPRMQRNK-QGZVFWFLSA-N 2 0 366.864 3.402 20 0 FGADRP C[C@@H]1[C@H]2CC[C@@H](C[C@H]1[NH2+][C@@H]1CCN(c3ccccc3Br)C1)[NH2+]2 ZINC000925479967 759495621 /nfs/dbraw/zinc/49/56/21/759495621.db2.gz TVIOIFOAVAGBEW-AEKWLRTRSA-N 2 0 364.331 3.146 20 0 FGADRP [NH3+][C@@H]1C[C@H]([NH2+][C@@H]2CCN(c3ncc(C(F)(F)F)cc3Cl)C2)C12CCC2 ZINC000925553646 759503685 /nfs/dbraw/zinc/50/36/85/759503685.db2.gz UNFMLLOKJBMWFU-BNOWGMLFSA-N 2 0 374.838 3.192 20 0 FGADRP [NH3+][C@@H]1C[C@H]([NH2+]C[C@H]2CCN(c3ccc(Br)cc3)C2)C12CCC2 ZINC000925586593 759510256 /nfs/dbraw/zinc/51/02/56/759510256.db2.gz VFZJTSRAEQLTNK-XYPHTWIQSA-N 2 0 364.331 3.135 20 0 FGADRP CS(=O)(=O)c1ccc(C[NH2+][C@H](CCC[NH3+])c2ccccc2)cc1Cl ZINC000925651158 759517487 /nfs/dbraw/zinc/51/74/87/759517487.db2.gz XLEKDIPQUXVQFW-QGZVFWFLSA-N 2 0 366.914 3.313 20 0 FGADRP Brc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CC[C@@H]3C[NH2+]C[C@@H]3C1)CCO2 ZINC000925824990 759552889 /nfs/dbraw/zinc/55/28/89/759552889.db2.gz FOGYCMIHLNTJLI-FIRUKDTASA-N 2 0 351.288 3.250 20 0 FGADRP Brc1cnn(C2(C[NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCCC[NH2+]3)CC2)c1 ZINC000925838416 759555331 /nfs/dbraw/zinc/55/53/31/759555331.db2.gz MAAHIDLPTHIWBT-OWCLPIDISA-N 2 0 367.335 3.035 20 0 FGADRP Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925853059 759559181 /nfs/dbraw/zinc/55/91/81/759559181.db2.gz JFQXVMWLSJAEDR-GXTWGEPZSA-N 2 0 365.543 3.085 20 0 FGADRP CC[C@@H]([NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1cc(Cl)ccc1OC ZINC000925857296 759561583 /nfs/dbraw/zinc/56/15/83/759561583.db2.gz ZKAOMRUMUDPKCL-GDBMZVCRSA-N 2 0 366.889 3.075 20 0 FGADRP CCS(=O)(=O)c1ccc(C[NH2+][C@@H](C)c2cccc(C[NH+](C)C)c2)cc1 ZINC000925967866 759589067 /nfs/dbraw/zinc/58/90/67/759589067.db2.gz AEEBCCIRTQRCLF-INIZCTEOSA-N 2 0 360.523 3.393 20 0 FGADRP [NH3+]CC[C@H]1CCN(C(=O)Nc2ccc(SCC[NH+]3CCCC3)cc2)C1 ZINC000926171387 759666684 /nfs/dbraw/zinc/66/66/84/759666684.db2.gz PLLMYUMMDVSNCI-INIZCTEOSA-N 2 0 362.543 3.077 20 0 FGADRP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)C2)[C@@H]2CCC[C@@H]21 ZINC000927124888 759899485 /nfs/dbraw/zinc/89/94/85/759899485.db2.gz RFGYISHGIVZNQC-FPSMNIFISA-N 2 0 351.535 3.142 20 0 FGADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)C2)[C@@H](C)C1 ZINC000930001830 760509645 /nfs/dbraw/zinc/50/96/45/760509645.db2.gz WZFWANIRMFOQSF-MHORFTMASA-N 2 0 353.551 3.342 20 0 FGADRP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](Cc3csc(C)c3)CC2(C)C)CC[N@@H+]1C ZINC000974598894 763034142 /nfs/dbraw/zinc/03/41/42/763034142.db2.gz KPRUEYHJOJHMFX-RCCFBDPRSA-N 2 0 363.571 3.113 20 0 FGADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](C[NH2+]Cc3cccc(Cl)c3)C2)CC[N@@H+]1C ZINC000983714707 763663702 /nfs/dbraw/zinc/66/37/02/763663702.db2.gz VXQHJUNRTKITCP-DSLXNQLJSA-N 2 0 363.933 3.055 20 0 FGADRP Cc1cc(Cl)ccc1CN1CCC[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001007375482 765590152 /nfs/dbraw/zinc/59/01/52/765590152.db2.gz DKULLWSFFVYUII-AYOQOUSVSA-N 2 0 363.933 3.069 20 0 FGADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+][C@@H](C)c3ccc(Cl)cc3)C2)CC[N@@H+]1C ZINC001022107416 765974004 /nfs/dbraw/zinc/97/40/04/765974004.db2.gz XCCSCBIWSWCQSJ-NUBKLNGGSA-N 2 0 363.933 3.368 20 0 FGADRP C[C@@H]1[C@H](C(=O)NC2(C)CC[NH+](Cc3ccc(Cl)cc3)CC2)CC[N@@H+]1C ZINC001045442978 766536857 /nfs/dbraw/zinc/53/68/57/766536857.db2.gz BQNFYAZMHCZJIX-CRAIPNDOSA-N 2 0 363.933 3.151 20 0 FGADRP C[C@@H]1[C@H](C(=O)N[C@H]2CCC[NH+](Cc3sccc3Cl)CC2)CC[N@@H+]1C ZINC001052393793 766900076 /nfs/dbraw/zinc/90/00/76/766900076.db2.gz QXPQHRDPRCIWFK-QLFBSQMISA-N 2 0 369.962 3.212 20 0 FGADRP C[NH+](C)[C@H](CNC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)c1ccc(F)cc1 ZINC000056950465 257349577 /nfs/dbraw/zinc/34/95/77/257349577.db2.gz YUQAZVOBLXQCDW-QGZVFWFLSA-N 2 0 364.509 3.037 20 0 FGADRP CC[N@@H+]1CC[C@H](C[NH2+]CC2=Cc3cc(Br)ccc3OC2)C1 ZINC000102423207 257350370 /nfs/dbraw/zinc/35/03/70/257350370.db2.gz PYXXYJUVOCFPLU-CYBMUJFWSA-N 2 0 351.288 3.156 20 0 FGADRP CC[NH+]1CCC(CNC(=O)N(C)C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000576729129 505580363 /nfs/dbraw/zinc/58/03/63/505580363.db2.gz BWWWVIPWKCNGID-UHFFFAOYSA-N 2 0 372.557 3.024 20 0 FGADRP CC[NH+](CC)[C@H](C(=O)N1CCC([C@@H]2[NH2+]CC2(C)C)CC1)c1ccccc1 ZINC000579590103 505582065 /nfs/dbraw/zinc/58/20/65/505582065.db2.gz IYLQBHBXGJXSIG-PMACEKPBSA-N 2 0 357.542 3.306 20 0 FGADRP Cc1cnc([C@@H](C)C[NH2+]C[C@@H](O)Cn2cnc3cc(C)c(C)cc32)s1 ZINC000576817604 505601710 /nfs/dbraw/zinc/60/17/10/505601710.db2.gz MIFBUEKCGCWJRO-GOEBONIOSA-N 2 0 358.511 3.172 20 0 FGADRP O[C@@H](C[NH2+]C1CC[NH+](C2CCC2)CC1)COc1ccc(Cl)cc1Cl ZINC000579701518 505604985 /nfs/dbraw/zinc/60/49/85/505604985.db2.gz IMNVFQHHYDIVSV-INIZCTEOSA-N 2 0 373.324 3.340 20 0 FGADRP CCC[NH+]1CCC(CNC(=O)c2ccccc2CC2CC[NH2+]CC2)CC1 ZINC000576825180 505603496 /nfs/dbraw/zinc/60/34/96/505603496.db2.gz GNPOMWMGQMHWOS-UHFFFAOYSA-N 2 0 357.542 3.081 20 0 FGADRP [NH3+]CCC1CC[NH+](CC(=O)N(Cc2ccccc2)c2ccccc2)CC1 ZINC000568057166 505605438 /nfs/dbraw/zinc/60/54/38/505605438.db2.gz UERIUOKDWOCTEZ-UHFFFAOYSA-N 2 0 351.494 3.281 20 0 FGADRP C[C@@H]1C[C@@H](NC(=O)Nc2ccc3c(c2)C[NH2+]C3)C[N@@H+]1Cc1ccccc1 ZINC000570909999 505609641 /nfs/dbraw/zinc/60/96/41/505609641.db2.gz VYSTUIKJRDTDFI-FOIQADDNSA-N 2 0 350.466 3.074 20 0 FGADRP CC(C)[N@H+](C)CC1CCN(C(=O)N[C@@H](C)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000576898304 505619020 /nfs/dbraw/zinc/61/90/20/505619020.db2.gz DSRDGSRZLMKASB-GHTZIAJQSA-N 2 0 374.573 3.440 20 0 FGADRP O=C(C[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)N[C@H](c1ccccc1)C1CCCC1 ZINC000570964358 505621595 /nfs/dbraw/zinc/62/15/95/505621595.db2.gz PXHCGIRJKRVSFQ-FUPPJEDESA-N 2 0 369.553 3.356 20 0 FGADRP CC(C[NH+]1CC[C@H](c2ccncc2)C1)C[N@@H+]1CC[C@H](c2ccncc2)C1 ZINC000568176983 505635636 /nfs/dbraw/zinc/63/56/36/505635636.db2.gz JZFMWUKVFAHFHF-VXKWHMMOSA-N 2 0 350.510 3.392 20 0 FGADRP C[NH+](C)C[C@H](NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)c1ccc(F)cc1 ZINC000579879373 505637669 /nfs/dbraw/zinc/63/76/69/505637669.db2.gz BVSFUTVWGULGFC-XLIONFOSSA-N 2 0 361.505 3.199 20 0 FGADRP CC(C)OC[C@H](O)C[NH2+]Cc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000576980897 505637755 /nfs/dbraw/zinc/63/77/55/505637755.db2.gz YKJNJOOVNDJRFN-OAQYLSRUSA-N 2 0 356.510 3.291 20 0 FGADRP C[NH+](C)Cc1cc(C[NH2+]C[C@H](O)Cc2cccc(Cl)c2)ccc1F ZINC000571075351 505647552 /nfs/dbraw/zinc/64/75/52/505647552.db2.gz YKMMZTGEIONCHY-GOSISDBHSA-N 2 0 350.865 3.234 20 0 FGADRP CCN1CC[C@H]([NH2+]CC[C@@H]2CCC[N@@H+]2C)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000573902649 505647787 /nfs/dbraw/zinc/64/77/87/505647787.db2.gz KJVFPBVMQZDQBC-UCLAIMLFSA-N 2 0 355.448 3.313 20 0 FGADRP C[NH2+]Cc1ccc(NC(=O)N2CC[C@@H]([N@H+](C)CCc3ccccc3)C2)cc1 ZINC000568281924 505658644 /nfs/dbraw/zinc/65/86/44/505658644.db2.gz HHUMHWNLTQXRJH-OAQYLSRUSA-N 2 0 366.509 3.187 20 0 FGADRP CC[NH+](CC)CC1CC[NH+](CCCCN2C(=O)c3ccccc3C2=O)CC1 ZINC000047978069 493767953 /nfs/dbraw/zinc/76/79/53/493767953.db2.gz OZFTXFYSRWXSQU-UHFFFAOYSA-N 2 0 371.525 3.117 20 0 FGADRP CCOC(=O)C1([C@@H](C)[NH2+][C@H](C)c2ccccc2OC(C)C)CC[NH2+]CC1 ZINC000568381579 505680927 /nfs/dbraw/zinc/68/09/27/505680927.db2.gz RANBQLFCHZHKNP-IAGOWNOFSA-N 2 0 362.514 3.446 20 0 FGADRP C[C@@H]1CCCN(C(=O)C[NH+]2CCC(C[N@H+](C)Cc3ccccc3)CC2)C1 ZINC000057924441 493815337 /nfs/dbraw/zinc/81/53/37/493815337.db2.gz UXNBQKFCNSHDDQ-LJQANCHMSA-N 2 0 357.542 3.089 20 0 FGADRP COc1ccc(C[NH2+]Cc2ccccc2C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1O ZINC000048816629 493847556 /nfs/dbraw/zinc/84/75/56/493847556.db2.gz WZBJBXLQPDTEHH-IAGOWNOFSA-N 2 0 370.493 3.300 20 0 FGADRP CC[NH+](CC)C[C@H]1CCN(C(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000081333740 493873599 /nfs/dbraw/zinc/87/35/99/493873599.db2.gz LTCLVLOXUPNNRT-RTWAWAEBSA-N 2 0 357.542 3.089 20 0 FGADRP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000058848919 493888498 /nfs/dbraw/zinc/88/84/98/493888498.db2.gz QGJOQRUDIZBIJL-IIZPIQPGSA-N 2 0 371.569 3.381 20 0 FGADRP COC(=O)c1oc(CN2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)cc1C ZINC000574084883 505689627 /nfs/dbraw/zinc/68/96/27/505689627.db2.gz USCYTMBUYMFYJA-OALUTQOASA-N 2 0 368.477 3.329 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H]1COc2ccccc2O1 ZINC000568427423 505691856 /nfs/dbraw/zinc/69/18/56/505691856.db2.gz UUMVEMVBBVPROP-YZGWKJHDSA-N 2 0 352.478 3.327 20 0 FGADRP COc1ccc(-c2nc(C[NH+]3CCC([C@H]4C[C@H]([NH3+])CCO4)CC3)co2)cc1 ZINC000580174881 505695330 /nfs/dbraw/zinc/69/53/30/505695330.db2.gz SZYIMEQSWVHCHZ-YLJYHZDGSA-N 2 0 371.481 3.069 20 0 FGADRP Cc1ccccc1CCC[NH+]1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000084678056 494091413 /nfs/dbraw/zinc/09/14/13/494091413.db2.gz VDXIEEIRBJOHKZ-UHFFFAOYSA-N 2 0 373.585 3.344 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)N2CC[NH+](C3CCCC3)CC2)C1 ZINC000071935821 494110568 /nfs/dbraw/zinc/11/05/68/494110568.db2.gz RPSJKOKEQKSDLC-KDURUIRLSA-N 2 0 364.578 3.014 20 0 FGADRP CC[NH+](CC)Cc1ccccc1CNC(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000085358573 494116943 /nfs/dbraw/zinc/11/69/43/494116943.db2.gz KHKVKDSTEFSRBH-QGZVFWFLSA-N 2 0 362.562 3.304 20 0 FGADRP C[C@H](NC(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1)C(C)(C)C[NH+](C)C ZINC000085387012 494118115 /nfs/dbraw/zinc/11/81/15/494118115.db2.gz SKSSTPJXLQTNBL-IRXDYDNUSA-N 2 0 364.534 3.082 20 0 FGADRP Cc1ccccc1NC(=O)CC[NH+]1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000072600165 494214521 /nfs/dbraw/zinc/21/45/21/494214521.db2.gz GWDQREPAGCUQIF-RTBURBONSA-N 2 0 373.541 3.145 20 0 FGADRP CCC[N@@H+]1CC[C@H](CNC(=O)NCc2ccccc2C[NH+](CC)CC)C1 ZINC000054509974 494242204 /nfs/dbraw/zinc/24/22/04/494242204.db2.gz CFTLSDKGOYKJKY-GOSISDBHSA-N 2 0 360.546 3.060 20 0 FGADRP C[C@H]1CCC[N@H+](CCCCNC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)C1 ZINC000042910828 494251576 /nfs/dbraw/zinc/25/15/76/494251576.db2.gz FRIHDQHHLZOAPD-INIZCTEOSA-N 2 0 352.567 3.107 20 0 FGADRP CCC[NH+]1CCN(c2ccccc2C[NH2+]CCCn2nc(C)cc2C)CC1 ZINC000088669611 494255822 /nfs/dbraw/zinc/25/58/22/494255822.db2.gz CAUMUOLQDPFTLW-UHFFFAOYSA-N 2 0 369.557 3.212 20 0 FGADRP CCC[NH+]1CCN(c2ccccc2C[NH2+]C[C@@H]2CCC[N@H+](CC)C2)CC1 ZINC000088696101 494255907 /nfs/dbraw/zinc/25/59/07/494255907.db2.gz LBBHEXKDTLCOCY-FQEVSTJZSA-N 3 0 358.574 3.040 20 0 FGADRP CCC[NH+]1CCN(c2ccccc2C[NH2+]C[C@H](CO)c2ccccc2)CC1 ZINC000088740563 494257325 /nfs/dbraw/zinc/25/73/25/494257325.db2.gz DTJBVWJADLMQNA-JOCHJYFZSA-N 2 0 367.537 3.084 20 0 FGADRP CC(C)CN(CC[NH+](C)C)C(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000043135858 494267119 /nfs/dbraw/zinc/26/71/19/494267119.db2.gz ZBXVQSHCXQWGKI-SFHVURJKSA-N 2 0 364.534 3.036 20 0 FGADRP O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)N1CCC([NH+]2CCCC2)CC1 ZINC000043135878 494267209 /nfs/dbraw/zinc/26/72/09/494267209.db2.gz UZHHIRCGSHBBMG-LJQANCHMSA-N 2 0 374.529 3.076 20 0 FGADRP c1csc(N2CCC([NH2+]CC3CCN(c4cc[nH+]cc4)CC3)CC2)n1 ZINC000089214733 494273776 /nfs/dbraw/zinc/27/37/76/494273776.db2.gz ZWHKTCQDUJQPMA-UHFFFAOYSA-N 2 0 357.527 3.013 20 0 FGADRP O=C(NCc1ccccc1C[NH+]1CCCCC1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000066176230 494283572 /nfs/dbraw/zinc/28/35/72/494283572.db2.gz XMOTZMZRDLDSOV-OAQYLSRUSA-N 2 0 370.541 3.052 20 0 FGADRP CCC[NH+]1CCC(N(C)C(=O)NC[C@@H](c2ccc(C)cc2)[NH+](C)C)CC1 ZINC000066190504 494286965 /nfs/dbraw/zinc/28/69/65/494286965.db2.gz XTUYXRUWMHYBGE-FQEVSTJZSA-N 2 0 360.546 3.114 20 0 FGADRP C[C@H]([NH2+][C@H]1CCCC[C@H]1C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000078625602 494333133 /nfs/dbraw/zinc/33/31/33/494333133.db2.gz IZZBOAMMAOSGLI-LQWHRVPQSA-N 2 0 357.542 3.324 20 0 FGADRP CC(C)C[NH+]1CCC(NC(=O)N2CC[C@@H]([N@H+](C)Cc3ccccc3)C2)CC1 ZINC000073588410 494395221 /nfs/dbraw/zinc/39/52/21/494395221.db2.gz JORCWCWGDZRBOD-OAQYLSRUSA-N 2 0 372.557 3.023 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)C1CCN(c2cc[nH+]cc2C)CC1)CC(C)C ZINC000073638402 494405947 /nfs/dbraw/zinc/40/59/47/494405947.db2.gz VWFLTZOFNTVCRI-HXUWFJFHSA-N 2 0 374.573 3.479 20 0 FGADRP CC[NH+]1CCC(CCNC(=O)NCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000073677564 494412463 /nfs/dbraw/zinc/41/24/63/494412463.db2.gz FRELWFIUXXYMQO-KDURUIRLSA-N 2 0 366.594 3.166 20 0 FGADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)NCC(C)(C)[NH+]2CCCCC2)C1 ZINC000079219083 494420686 /nfs/dbraw/zinc/42/06/86/494420686.db2.gz ONHDRFWKTIDHRF-GOSISDBHSA-N 2 0 352.567 3.062 20 0 FGADRP O=C(N[C@H](C[NH+]1CCCC1)c1ccccc1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000079310883 494435335 /nfs/dbraw/zinc/43/53/35/494435335.db2.gz JEZTURILJFONLJ-NHCUHLMSSA-N 2 0 370.541 3.093 20 0 FGADRP C[C@@H]([NH2+]Cc1ccc([S@](C)=O)cc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000090221085 494456918 /nfs/dbraw/zinc/45/69/18/494456918.db2.gz FJIMXHAWAVVQPA-PUAOIOHZSA-N 2 0 360.523 3.215 20 0 FGADRP C[C@H]([NH2+]Cc1ccc([S@@](C)=O)cc1)c1cccc(OCC[NH+](C)C)c1 ZINC000090221122 494456947 /nfs/dbraw/zinc/45/69/47/494456947.db2.gz GFWONFOFOREZAQ-LMKMVOKYSA-N 2 0 360.523 3.215 20 0 FGADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)NCC[NH+]1CCCC[C@@H]1C ZINC000045789881 494461828 /nfs/dbraw/zinc/46/18/28/494461828.db2.gz KGFXSZJSAXVCSU-SFHVURJKSA-N 2 0 360.546 3.200 20 0 FGADRP CC[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1ccc2c(c1)OCCO2 ZINC000090524585 494478346 /nfs/dbraw/zinc/47/83/46/494478346.db2.gz LRNDTDIBKYLQBI-UFYCRDLUSA-N 2 0 374.525 3.266 20 0 FGADRP CC(C)[N@H+](C)CC1CCN(C(=O)NC[C@H](C)[NH+]2CCCC[C@@H]2C)CC1 ZINC000079599407 494490698 /nfs/dbraw/zinc/49/06/98/494490698.db2.gz NRNYLOACELFCIL-ROUUACIJSA-N 2 0 352.567 3.011 20 0 FGADRP CC(C)[N@H+](C)CC1CCN(C(=O)NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000079610323 494492316 /nfs/dbraw/zinc/49/23/16/494492316.db2.gz VYEPLRMAIZAUMI-OALUTQOASA-N 2 0 366.594 3.116 20 0 FGADRP C[NH+](C)CCC1CC[NH+](C[C@@H](O)COc2cccc3ccccc32)CC1 ZINC000056523128 494520150 /nfs/dbraw/zinc/52/01/50/494520150.db2.gz LBDFBFJPIBFESN-HXUWFJFHSA-N 2 0 356.510 3.243 20 0 FGADRP CN(C(=O)c1cccc(C[NH+](C)C)c1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000074447014 494538132 /nfs/dbraw/zinc/53/81/32/494538132.db2.gz POWNMGMUNZSLGB-JOCHJYFZSA-N 2 0 365.521 3.485 20 0 FGADRP CN(CC1CC[NH+](C)CC1)C(=O)NC[C@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000067483211 494549666 /nfs/dbraw/zinc/54/96/66/494549666.db2.gz ALLGREFAZPZOIH-HXUWFJFHSA-N 2 0 364.578 3.014 20 0 FGADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](c1cccc(C(F)(F)F)c1)C1CC1 ZINC000091334809 494585548 /nfs/dbraw/zinc/58/55/48/494585548.db2.gz MQNQEGPOCGLCFL-KBXCAEBGSA-N 2 0 355.448 3.382 20 0 FGADRP CCC[NH+]1CC[C@@H](CNc2nc(NC[C@@H]3CC[N@@H+](CCC)C3)ncc2C)C1 ZINC000091457801 494604740 /nfs/dbraw/zinc/60/47/40/494604740.db2.gz DWNBXZCUAINQMH-OALUTQOASA-N 2 0 374.577 3.073 20 0 FGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@@H]2CCCOc3ccc(Cl)cc32)CC1 ZINC000121119990 494605586 /nfs/dbraw/zinc/60/55/86/494605586.db2.gz UFMJCKLRKRSZAM-QFBILLFUSA-N 2 0 365.949 3.417 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)c1ccco1 ZINC000067709605 494620646 /nfs/dbraw/zinc/62/06/46/494620646.db2.gz LZIKHVLNHLSZBC-OALUTQOASA-N 2 0 372.513 3.265 20 0 FGADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NCCC1CC[NH+](CC)CC1 ZINC000080462179 494711270 /nfs/dbraw/zinc/71/12/70/494711270.db2.gz IAQQPZOIHAOSGU-UHFFFAOYSA-N 2 0 374.573 3.402 20 0 FGADRP C[C@@H]1C[C@@H](C)CN(C(=O)C[N@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000092821321 494762851 /nfs/dbraw/zinc/76/28/51/494762851.db2.gz MHVPGSGRJRPMAO-RTBURBONSA-N 2 0 372.557 3.124 20 0 FGADRP C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)Cc1nc(-c2ccco2)no1 ZINC000092821077 494764532 /nfs/dbraw/zinc/76/45/32/494764532.db2.gz SDDPDIGCNHIJNM-UHFFFAOYSA-N 2 0 367.453 3.463 20 0 FGADRP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)N(C)CC2CC[NH+](C)CC2)CC1 ZINC000116435989 494786475 /nfs/dbraw/zinc/78/64/75/494786475.db2.gz AVGIFSLDZKMLRV-SFHVURJKSA-N 2 0 372.557 3.195 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)NC1CC[NH+](C(C)C)CC1)Cc1ccccc1 ZINC000047884166 494788363 /nfs/dbraw/zinc/78/83/63/494788363.db2.gz AZHIWIJSNPEYHN-NRFANRHFSA-N 2 0 374.573 3.112 20 0 FGADRP C[NH+](C)[C@@H](CNC(=O)c1cccc(C[NH+]2CCCC2)c1)c1ccc(F)cc1 ZINC000108966062 494812662 /nfs/dbraw/zinc/81/26/62/494812662.db2.gz CCHOEAGMFFURLC-NRFANRHFSA-N 2 0 369.484 3.454 20 0 FGADRP C[C@H](C[NH2+][C@@H]1CCCOc2cc3c(cc21)CCCC3)N1CC[NH+](C)CC1 ZINC000126660456 494813813 /nfs/dbraw/zinc/81/38/13/494813813.db2.gz PHVZQQNNMHVNST-DYESRHJHSA-N 2 0 357.542 3.005 20 0 FGADRP C[NH+](C)CC[C@@H](NC(=O)N1CCC[C@H]1C[NH+]1CCCCC1)C(C)(C)C ZINC000116565987 494817375 /nfs/dbraw/zinc/81/73/75/494817375.db2.gz VVYFHGXFOXVUDJ-ZWKOTPCHSA-N 2 0 352.567 3.013 20 0 FGADRP Cc1cc(Cl)cc2c1OCCC[C@@H]2[NH2+]CCCN1CC[NH+](C)CC1 ZINC000121799714 494862807 /nfs/dbraw/zinc/86/28/07/494862807.db2.gz MDYMHMPOOCPEMJ-SFHVURJKSA-N 2 0 351.922 3.089 20 0 FGADRP CC(C)C[C@@H]1COCC[N@@H+]1Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000093340197 494873603 /nfs/dbraw/zinc/87/36/03/494873603.db2.gz BNXRRTAWSZYWQH-OAQYLSRUSA-N 2 0 359.558 3.464 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)N2CCC[NH+](C(C)(C)C)CC2)C1 ZINC000109482051 494881325 /nfs/dbraw/zinc/88/13/25/494881325.db2.gz LVTKGCNEBPZFJV-HDICACEKSA-N 2 0 366.594 3.259 20 0 FGADRP C[C@@H]([NH2+]CCCC[NH+]1CCN(Cc2ccccc2)CC1)c1nccs1 ZINC000093399276 494886047 /nfs/dbraw/zinc/88/60/47/494886047.db2.gz XAZOBVNERXNQRM-GOSISDBHSA-N 2 0 358.555 3.392 20 0 FGADRP CC(C)[C@@H](C[NH2+][C@H]1CC2(CCC2)Oc2ccccc21)N1CC[NH+](C)CC1 ZINC000132511783 494886290 /nfs/dbraw/zinc/88/62/90/494886290.db2.gz QCCAOYRUNUJOJX-VQTJNVASSA-N 2 0 357.542 3.295 20 0 FGADRP CC[NH+]1CCN(CCC[NH2+][C@H]2CCCc3ncc(C(F)(F)F)cc32)CC1 ZINC000132525394 494888266 /nfs/dbraw/zinc/88/82/66/494888266.db2.gz DBOREJHXDNTGJP-KRWDZBQOSA-N 2 0 370.463 3.095 20 0 FGADRP CC(C)[C@H](C[NH2+][C@@H](C)c1ccc(F)cc1OC(F)F)N1CC[NH+](C)CC1 ZINC000132554299 494891653 /nfs/dbraw/zinc/89/16/53/494891653.db2.gz XKXFFHDNNJOCOL-YOEHRIQHSA-N 2 0 373.463 3.350 20 0 FGADRP Cn1cc(-c2cccc(C[NH+]3CCC(OCC[NH+]4CCCC4)CC3)c2)cn1 ZINC000093735139 494915177 /nfs/dbraw/zinc/91/51/77/494915177.db2.gz XXHILSAMLQBIRJ-UHFFFAOYSA-N 2 0 368.525 3.164 20 0 FGADRP C[C@H]1C[NH+](CCCC[NH2+]Cc2cn(C)nc2-c2cccs2)C[C@H](C)O1 ZINC000093962036 494938201 /nfs/dbraw/zinc/93/82/01/494938201.db2.gz LDFJMSBNSGZSPR-HOTGVXAUSA-N 2 0 362.543 3.128 20 0 FGADRP Cc1cc(Cl)cc2c1OCCC[C@@H]2[NH2+]CC1CC[NH+](CCO)CC1 ZINC000122296821 494954249 /nfs/dbraw/zinc/95/42/49/494954249.db2.gz ZNROKXDAKXZRQV-SFHVURJKSA-N 2 0 352.906 3.156 20 0 FGADRP CC[NH+]1CCN(c2ccc(C[NH2+]C[C@@H](C)c3ccc(F)cc3)cn2)CC1 ZINC000127600649 494968343 /nfs/dbraw/zinc/96/83/43/494968343.db2.gz PYKBATVRIFECTJ-QGZVFWFLSA-N 2 0 356.489 3.256 20 0 FGADRP C[C@H](C(=O)NCCC1CC[NH+](C)CC1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000110679219 495000841 /nfs/dbraw/zinc/00/08/41/495000841.db2.gz NLIBHASNGQDSKR-LJQANCHMSA-N 2 0 371.569 3.178 20 0 FGADRP CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000133621689 495037142 /nfs/dbraw/zinc/03/71/42/495037142.db2.gz FGMLTCPDDWMODS-HXUWFJFHSA-N 2 0 364.578 3.203 20 0 FGADRP C[C@H]([NH2+]CCCN1CCC[N@H+](C)CC1)c1ccccc1Br ZINC000128288332 495073356 /nfs/dbraw/zinc/07/33/56/495073356.db2.gz RRZCLEUISNHNDP-HNNXBMFYSA-N 2 0 354.336 3.127 20 0 FGADRP CN(c1ccccc1C[NH2+]C[C@@H](O)c1ccc(F)cc1)C1CC[NH+](C)CC1 ZINC000123071022 495076075 /nfs/dbraw/zinc/07/60/75/495076075.db2.gz ZSWOCDFAPYZONB-JOCHJYFZSA-N 2 0 371.500 3.179 20 0 FGADRP Fc1cc(-c2ccncc2)ccc1C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000134067290 495100657 /nfs/dbraw/zinc/10/06/57/495100657.db2.gz XWJPOAXGEQHSIH-UHFFFAOYSA-N 2 0 369.484 3.432 20 0 FGADRP COc1ccccc1-c1nnc(C[NH+]2CCC(CCC[NH+](C)C)CC2)o1 ZINC000123288492 495108630 /nfs/dbraw/zinc/10/86/30/495108630.db2.gz SEHBEDBNDSLEFY-UHFFFAOYSA-N 2 0 358.486 3.299 20 0 FGADRP CCC[N@H+](CC[C@H]1CCC[NH+]1C)C1CCN(c2cc(C)nc(C)n2)CC1 ZINC000128570005 495117648 /nfs/dbraw/zinc/11/76/48/495117648.db2.gz UORZRWZTXJEVKP-LJQANCHMSA-N 2 0 359.562 3.259 20 0 FGADRP C[C@H](C(=O)N[C@H]1CCOc2ccccc21)[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123409036 495128081 /nfs/dbraw/zinc/12/80/81/495128081.db2.gz UWSAQFMDAXAJFI-XLIONFOSSA-N 2 0 373.541 3.069 20 0 FGADRP CCOc1ccc([C@H](C)[NH2+]CCCN2CCC[N@H+](C)CC2)cc1OCC ZINC000128658129 495131014 /nfs/dbraw/zinc/13/10/14/495131014.db2.gz NCZPZGJEXOXYLK-SFHVURJKSA-N 2 0 363.546 3.162 20 0 FGADRP Cc1cccc([C@@H](C)[NH2+]CCC(=O)N2CCN(c3ccccn3)CC2)c1C ZINC000128671024 495133282 /nfs/dbraw/zinc/13/32/82/495133282.db2.gz HVOUYURIXNKHHW-LJQANCHMSA-N 2 0 366.509 3.088 20 0 FGADRP CC[C@H](C(=O)Nc1ccc(OC)cc1)[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123474048 495137986 /nfs/dbraw/zinc/13/79/86/495137986.db2.gz QUOCNKCUWNGDOW-HXUWFJFHSA-N 2 0 361.530 3.466 20 0 FGADRP Cc1ccc([C@@H](CNC(=O)NC2CCC(C[NH+](C)C)CC2)[NH+](C)C)cc1 ZINC000119318684 495140955 /nfs/dbraw/zinc/14/09/55/495140955.db2.gz PKBKWXCBDDEZDM-LYBXBRPPSA-N 2 0 360.546 3.017 20 0 FGADRP Cc1ccccc1C[NH+]1CCC(NC(=O)N[C@H](C)C(C)(C)C[NH+](C)C)CC1 ZINC000119396961 495158338 /nfs/dbraw/zinc/15/83/38/495158338.db2.gz FWTUWZAOAIQYEC-GOSISDBHSA-N 2 0 374.573 3.235 20 0 FGADRP C[C@@H]1CCC[N@@H+]1C1CCN(C(=O)NCCCCC[NH+]2CCCCC2)CC1 ZINC000128847176 495158470 /nfs/dbraw/zinc/15/84/70/495158470.db2.gz DKYKDDUGCWNDKI-LJQANCHMSA-N 2 0 364.578 3.301 20 0 FGADRP CC[N@H+](C)C[C@H]1CCN(C(=O)NC[C@]2(C)CCC[NH+]2Cc2ccccc2)C1 ZINC000119617419 495203310 /nfs/dbraw/zinc/20/33/10/495203310.db2.gz HCBZXJPHRKZOSH-IRLDBZIGSA-N 2 0 372.557 3.024 20 0 FGADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000103305558 495216697 /nfs/dbraw/zinc/21/66/97/495216697.db2.gz SLNRUFSMMGIODS-VQTJNVASSA-N 2 0 364.578 3.014 20 0 FGADRP C[C@H](CCNC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1)[NH+](C)Cc1ccccc1 ZINC000119782035 495240150 /nfs/dbraw/zinc/24/01/50/495240150.db2.gz YDNIJMUQNDPPPX-HMXCVIKNSA-N 2 0 372.557 3.023 20 0 FGADRP CC(C)OC(=O)c1ccc(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)cc1 ZINC000135114545 495252856 /nfs/dbraw/zinc/25/28/56/495252856.db2.gz GYJBVUQELJNNDA-UHFFFAOYSA-N 2 0 374.525 3.329 20 0 FGADRP C[C@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)c1ccc(OC(F)F)cc1 ZINC000124507867 495298826 /nfs/dbraw/zinc/29/88/26/495298826.db2.gz MTTAVNYRFQFVBB-HNNXBMFYSA-N 2 0 355.473 3.212 20 0 FGADRP C[C@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)c1ccc(F)cc1OC(F)F ZINC000124522203 495301444 /nfs/dbraw/zinc/30/14/44/495301444.db2.gz UNFRMRBDVAUOFO-AWEZNQCLSA-N 2 0 373.463 3.351 20 0 FGADRP CC1CC[NH+](C2CCC(NC(=O)N[C@@H]3CCC[C@@H]([NH+](C)C)C3)CC2)CC1 ZINC000129916248 495313532 /nfs/dbraw/zinc/31/35/32/495313532.db2.gz JOSJNQXPESXWES-CQJJOKNBSA-N 2 0 364.578 3.202 20 0 FGADRP C[NH+]1CCC(C[NH2+][C@@H]2CCCOc3ccccc32)(N2CCCCC2)CC1 ZINC000124725126 495333297 /nfs/dbraw/zinc/33/32/97/495333297.db2.gz FJYQBPPVNNXHIC-HXUWFJFHSA-N 2 0 357.542 3.440 20 0 FGADRP C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)NCC3CC[NH+](C)CC3)cc2)C1 ZINC000105113321 495337991 /nfs/dbraw/zinc/33/79/91/495337991.db2.gz CMEHUFCPIDZTNU-GOSISDBHSA-N 2 0 372.557 3.060 20 0 FGADRP C[C@H](C[NH2+][C@H]1CC2(CCCCC2)Oc2ccccc21)N1CC[NH+](C)CC1 ZINC000130108661 495343087 /nfs/dbraw/zinc/34/30/87/495343087.db2.gz LXUYGJPLKQAHDH-QUCCMNQESA-N 2 0 357.542 3.439 20 0 FGADRP C[C@H]([NH3+])C[C@H](C)NC(=O)NCCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000574450044 505776152 /nfs/dbraw/zinc/77/61/52/505776152.db2.gz CHCBPDYMMUYNLG-OALUTQOASA-N 2 0 374.573 3.146 20 0 FGADRP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@H](c3ccccc3)CC2)CC1 ZINC000114456384 495377132 /nfs/dbraw/zinc/37/71/32/495377132.db2.gz MFEJOLPFRPLWDK-FQEVSTJZSA-N 2 0 357.542 3.245 20 0 FGADRP Cc1nn(C)c(C)c1C[C@@H](C)[NH2+][C@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000120482705 495388619 /nfs/dbraw/zinc/38/86/19/495388619.db2.gz FZEHTPARLUZSQX-HZPDHXFCSA-N 2 0 358.530 3.259 20 0 FGADRP C[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CCSc4ccccc43)cn2)CC1 ZINC000130465091 495396380 /nfs/dbraw/zinc/39/63/80/495396380.db2.gz REGDPVCHAHLLJL-GOSISDBHSA-N 2 0 354.523 3.160 20 0 FGADRP Cc1cc(N2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)c2cc(F)ccc2[nH+]1 ZINC000125146000 495397472 /nfs/dbraw/zinc/39/74/72/495397472.db2.gz NRNZIOHPLUXGNV-SFHVURJKSA-N 2 0 356.489 3.289 20 0 FGADRP CC(C)Oc1ccc([C@@H](C)[NH2+]Cc2ccc(N3CC[NH+](C)CC3)nc2)cc1 ZINC000130514600 495404179 /nfs/dbraw/zinc/40/41/79/495404179.db2.gz FOUOHRSCGBDXLI-GOSISDBHSA-N 2 0 368.525 3.471 20 0 FGADRP C[NH+]1CCN(c2cc(C[NH2+][C@@H]3CC[C@H](c4ccccc4)C3)ccn2)CC1 ZINC000130519615 495404915 /nfs/dbraw/zinc/40/49/15/495404915.db2.gz PSOCHNPWNOUFSZ-LEWJYISDSA-N 2 0 350.510 3.259 20 0 FGADRP COc1ccc(C[NH+]2CCC(C[NH2+][C@@H]3C[C@@H](C)[N@H+](C)C[C@H]3C)CC2)cc1 ZINC000120674590 495431762 /nfs/dbraw/zinc/43/17/62/495431762.db2.gz NHDIJKSOXAQBRU-JBYIUTFZSA-N 3 0 359.558 3.226 20 0 FGADRP CCn1cc([C@@H](C)[NH2+]CC2CC[NH+](Cc3ccc(OC)cc3)CC2)cn1 ZINC000120679980 495433510 /nfs/dbraw/zinc/43/35/10/495433510.db2.gz LAMYHDFUIWMSRG-QGZVFWFLSA-N 2 0 356.514 3.474 20 0 FGADRP CC[N@H+](C)C[C@@H]1CC[NH+](CCC(=O)Nc2ccccc2C(F)(F)F)C1 ZINC000137748704 495450142 /nfs/dbraw/zinc/45/01/42/495450142.db2.gz CHXXXSGKFCPTRA-AWEZNQCLSA-N 2 0 357.420 3.308 20 0 FGADRP C[C@H](C[NH2+][C@@H](C)CC(=O)Nc1ccccc1C(F)(F)F)N(C)C1CC1 ZINC000130828907 495451971 /nfs/dbraw/zinc/45/19/71/495451971.db2.gz XDIGBAIPFXDTAV-QWHCGFSZSA-N 2 0 357.420 3.495 20 0 FGADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N(CC[NH+](C)C)Cc2ccccc2)C1 ZINC000130852808 495456052 /nfs/dbraw/zinc/45/60/52/495456052.db2.gz KYNXRPAZAXPIHS-OAQYLSRUSA-N 2 0 374.573 3.128 20 0 FGADRP CC[NH+](CC)Cc1ccc(CNC(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)cc1 ZINC000106522518 495461729 /nfs/dbraw/zinc/46/17/29/495461729.db2.gz QOAOHUJKFRTMAP-FQEVSTJZSA-N 2 0 372.557 3.345 20 0 FGADRP Cc1ccc(C[NH+]2CCC(C(=O)NCC[N@@H+](C)Cc3ccccc3)CC2)o1 ZINC000130903933 495464163 /nfs/dbraw/zinc/46/41/63/495464163.db2.gz YILPJQQMZUKHBL-UHFFFAOYSA-N 2 0 369.509 3.048 20 0 FGADRP C[C@@H]([NH2+]C[C@H](C)CN1CC[NH+](C)CC1)c1ccccc1OC(F)(F)F ZINC000120831106 495466765 /nfs/dbraw/zinc/46/67/65/495466765.db2.gz UWTPSSDDTHUTNY-LSDHHAIUSA-N 2 0 359.436 3.119 20 0 FGADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H](C)c2ccc(Br)c(F)c2)CC1 ZINC000131140526 495497251 /nfs/dbraw/zinc/49/72/51/495497251.db2.gz WJWOBDLQXOSKFV-KGLIPLIRSA-N 2 0 372.326 3.265 20 0 FGADRP CC[N@H+](C)Cc1cccc(CNC(=O)N[C@H](C)C[NH+]2CCC[C@H](C)C2)c1 ZINC000141172364 495503415 /nfs/dbraw/zinc/50/34/15/495503415.db2.gz QOCNHXFTCWHAKQ-ZWKOTPCHSA-N 2 0 360.546 3.058 20 0 FGADRP CN1CC[NH+](CCCC[NH2+]Cc2ccc(-c3c(F)cccc3F)o2)CC1 ZINC000115612017 495521402 /nfs/dbraw/zinc/52/14/02/495521402.db2.gz FTCWPKKKEYSKAN-UHFFFAOYSA-N 2 0 363.452 3.342 20 0 FGADRP C[C@H](NC(=O)NCCC[N@@H+]1CCCC[C@@H]1C)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000182372363 495537004 /nfs/dbraw/zinc/53/70/04/495537004.db2.gz RBAYACPENMSGED-GBESFXJTSA-N 2 0 364.578 3.203 20 0 FGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cc1 ZINC000182431669 495561668 /nfs/dbraw/zinc/56/16/68/495561668.db2.gz LBYPBSASACJWBA-HXUWFJFHSA-N 2 0 358.530 3.030 20 0 FGADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[NH+](Cc2cccc(F)c2)C1 ZINC000176304920 495589480 /nfs/dbraw/zinc/58/94/80/495589480.db2.gz NOXZZDLCAVCFOK-NRSPTQNISA-N 2 0 373.516 3.123 20 0 FGADRP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000185481668 495593974 /nfs/dbraw/zinc/59/39/74/495593974.db2.gz WERHQQSXTPTLBP-SFHVURJKSA-N 2 0 352.567 3.062 20 0 FGADRP Cc1cccc(C(=O)N2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)c1Cl ZINC000154399400 495604792 /nfs/dbraw/zinc/60/47/92/495604792.db2.gz XSCQRARRCWDTPT-SJPCQFCGSA-N 2 0 361.917 3.031 20 0 FGADRP C[C@H]([NH2+]CCCC[NH+]1CCN(C)CC1)c1ccc(F)cc1OC(F)F ZINC000154431719 495613847 /nfs/dbraw/zinc/61/38/47/495613847.db2.gz PDDYDEJJXYVNMC-AWEZNQCLSA-N 2 0 359.436 3.105 20 0 FGADRP Cc1cc(NC(=O)CC[NH+]2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)no1 ZINC000158936706 495619602 /nfs/dbraw/zinc/61/96/02/495619602.db2.gz SGPPYWNUZXUHOP-MRXNPFEDSA-N 2 0 362.518 3.288 20 0 FGADRP C[C@H](C(=O)N1CCC[C@H]1c1cccs1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150774332 495629956 /nfs/dbraw/zinc/62/99/56/495629956.db2.gz KAEPGJVWHMOFBF-KURKYZTESA-N 2 0 361.555 3.218 20 0 FGADRP CCN1CC[NH+](CCCC[NH2+][C@@H](C)c2ccccc2OC(F)F)CC1 ZINC000154481509 495630757 /nfs/dbraw/zinc/63/07/57/495630757.db2.gz ZFZWFTPRCDJPIW-INIZCTEOSA-N 2 0 355.473 3.356 20 0 FGADRP C[C@H](NC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182644568 495647289 /nfs/dbraw/zinc/64/72/89/495647289.db2.gz OTRNGAUXDYYQFW-SCTDSRPQSA-N 2 0 366.594 3.305 20 0 FGADRP CC(C)[C@H](O)C(C)(C)C[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000159077129 495652410 /nfs/dbraw/zinc/65/24/10/495652410.db2.gz UJSJYIKMCSRJKM-NRFANRHFSA-N 2 0 361.574 3.350 20 0 FGADRP C[C@@H](CCNC(=O)N1CCC(CCC[NH+](C)C)CC1)[NH+]1CCCCC1 ZINC000182684905 495663749 /nfs/dbraw/zinc/66/37/49/495663749.db2.gz KSBIJXKAQCDJFB-SFHVURJKSA-N 2 0 352.567 3.014 20 0 FGADRP C[NH+]1CCN(c2cc(C[NH2+][C@@H]3CCSc4ccc(F)cc43)ccn2)CC1 ZINC000159122065 495663817 /nfs/dbraw/zinc/66/38/17/495663817.db2.gz NCGWPCAIUVGEGX-GOSISDBHSA-N 2 0 372.513 3.299 20 0 FGADRP CCC[C@@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)c1ccc(OC)cc1 ZINC000159134579 495667063 /nfs/dbraw/zinc/66/70/63/495667063.db2.gz AEJQWDVGLCHZRN-OAQYLSRUSA-N 2 0 368.525 3.473 20 0 FGADRP CC(C)CC[NH+]1CCC(CNC(=O)Nc2ccc3c(c2)C[NH2+]CCO3)CC1 ZINC000568845740 505791560 /nfs/dbraw/zinc/79/15/60/505791560.db2.gz NDKMTEBBPRHFRM-UHFFFAOYSA-N 2 0 374.529 3.048 20 0 FGADRP COc1ccc([C@H](C)[C@@H](C)[NH2+]Cc2ccnc(N3CC[NH+](C)CC3)c2)cc1 ZINC000159176540 495676902 /nfs/dbraw/zinc/67/69/02/495676902.db2.gz MSLNDTKCBQGBFC-QZTJIDSGSA-N 2 0 368.525 3.124 20 0 FGADRP CC[NH+](CC)CCCC1CC[NH+](CCn2cnc3ccccc3c2=O)CC1 ZINC000182756709 495691717 /nfs/dbraw/zinc/69/17/17/495691717.db2.gz YXZDEWASTUJSPA-UHFFFAOYSA-N 2 0 370.541 3.231 20 0 FGADRP O=C(CC[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1)NC1CCCC1 ZINC000159247377 495692540 /nfs/dbraw/zinc/69/25/40/495692540.db2.gz YKUAJWRSYRZHDQ-UNMCSNQZSA-N 2 0 369.553 3.422 20 0 FGADRP C[C@@H](NC(=O)NC1CCC(C[NH+](C)C)CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182761933 495693206 /nfs/dbraw/zinc/69/32/06/495693206.db2.gz YJCUSLRGFAITOT-TXQGORRRSA-N 2 0 364.578 3.059 20 0 FGADRP C[NH+](C)CCN1CCC([NH2+][C@@H]2CCSc3ccc(Cl)cc32)CC1 ZINC000150971512 495698093 /nfs/dbraw/zinc/69/80/93/495698093.db2.gz DAXIHRWVNWGDKM-QGZVFWFLSA-N 2 0 353.963 3.493 20 0 FGADRP O=C(CC[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1)N[C@@H]1CCCc2ccccc21 ZINC000173878347 495729333 /nfs/dbraw/zinc/72/93/33/495729333.db2.gz KOFRCUQFJCHOKQ-DENIHFKCSA-N 2 0 369.553 3.378 20 0 FGADRP C[C@H](NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000182879070 495738763 /nfs/dbraw/zinc/73/87/63/495738763.db2.gz HHTBEBWYFKHURI-GBESFXJTSA-N 2 0 361.574 3.410 20 0 FGADRP CC[N@H+](C)C[C@@H]1CC[NH+](C[C@H](O)Cn2c3ccccc3c3ccccc32)C1 ZINC000173906850 495741457 /nfs/dbraw/zinc/74/14/57/495741457.db2.gz DHOIHUBNFVZMMF-OALUTQOASA-N 2 0 365.521 3.429 20 0 FGADRP Cc1ccc(NC(=O)NC[C@H]2CCC[N@H+](CCCn3ccnc3)C2)cc1 ZINC000182888929 495743425 /nfs/dbraw/zinc/74/34/25/495743425.db2.gz VELWLGGVWKWIDW-GOSISDBHSA-N 2 0 355.486 3.115 20 0 FGADRP C[NH+]1CCN(CCC[NH2+]C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000176680341 495744563 /nfs/dbraw/zinc/74/45/63/495744563.db2.gz YLQSCMWOYSHTIB-UHFFFAOYSA-N 2 0 359.464 3.281 20 0 FGADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1cccc(OCc2ccccc2)c1 ZINC000185865169 495754895 /nfs/dbraw/zinc/75/48/95/495754895.db2.gz DXOXCDGFFSWUME-FQEVSTJZSA-N 2 0 367.537 3.381 20 0 FGADRP C[NH+]1CCN(CCC(C)(C)[NH2+]Cc2ccc(Br)s2)CC1 ZINC000185893794 495767645 /nfs/dbraw/zinc/76/76/45/495767645.db2.gz WGLNMJLLYLQDCS-UHFFFAOYSA-N 2 0 360.365 3.016 20 0 FGADRP Cc1ccccc1NC(=O)CC[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000182947757 495770538 /nfs/dbraw/zinc/77/05/38/495770538.db2.gz IYHUEZHQKJKOOT-UHFFFAOYSA-N 2 0 373.541 3.148 20 0 FGADRP CCC(CC)[C@@H](CNC(=O)N1CC[C@@H](C[NH+]2CCCC2)C1)[NH+]1CCCC1 ZINC000174142160 495835386 /nfs/dbraw/zinc/83/53/86/495835386.db2.gz AHGYHAQMTFLPRM-AZUAARDMSA-N 2 0 364.578 3.014 20 0 FGADRP CC(C)CNC(=O)[C@H](C)[NH2+]Cc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000174154941 495840667 /nfs/dbraw/zinc/84/06/67/495840667.db2.gz CQLMXFJLXVYBCU-KRWDZBQOSA-N 2 0 357.498 3.162 20 0 FGADRP C[C@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000171389135 495852459 /nfs/dbraw/zinc/85/24/59/495852459.db2.gz NDRXTMIDBAZDDH-SZYSYYJISA-N 2 0 373.585 3.268 20 0 FGADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000183147988 495855072 /nfs/dbraw/zinc/85/50/72/495855072.db2.gz XZVGXXMNMQEQLW-GSPCLOLRSA-N 3 0 373.585 3.234 20 0 FGADRP C[C@H](CCNC(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21)[NH+](C)Cc1ccccc1 ZINC000183187244 495872184 /nfs/dbraw/zinc/87/21/84/495872184.db2.gz DGKWFCDUAWADFE-GIVPXCGWSA-N 2 0 372.557 3.023 20 0 FGADRP Cc1ccccc1[C@@H]1C[C@H](C)[N@H+](CC(=O)NC2CC[NH+](C(C)C)CC2)C1 ZINC000155229613 495883149 /nfs/dbraw/zinc/88/31/49/495883149.db2.gz HEUYLGKFNPNHTD-RBUKOAKNSA-N 2 0 357.542 3.162 20 0 FGADRP C[NH+](C)Cc1c2ccccc2oc1C(=O)Nc1ccc(OCC[NH3+])cc1 ZINC000183237159 495893045 /nfs/dbraw/zinc/89/30/45/495893045.db2.gz LBVCDHNQHBWQCO-UHFFFAOYSA-N 2 0 353.422 3.084 20 0 FGADRP C[C@@H]([NH2+]C1(CNC(=O)N(C)CCC[NH+](C)C)CCCC1)c1ccccc1 ZINC000186200353 495893893 /nfs/dbraw/zinc/89/38/93/495893893.db2.gz RVCDNAZSYGIZCQ-GOSISDBHSA-N 2 0 360.546 3.243 20 0 FGADRP CC1(C)CC[N@H+](CC(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC000571773242 505812041 /nfs/dbraw/zinc/81/20/41/505812041.db2.gz BAHNPXAPXLHCNT-IHWFROFDSA-N 2 0 355.526 3.030 20 0 FGADRP CC[NH+](CC)Cc1cc([C@@H](C)[NH2+][C@@H]2CCc3n[nH]cc3C2)ccc1OC ZINC000183340055 495937232 /nfs/dbraw/zinc/93/72/32/495937232.db2.gz KGGQLTWLFZQDBT-DNVCBOLYSA-N 2 0 356.514 3.468 20 0 FGADRP CC[NH+]1CCC(NC(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000155370944 495937419 /nfs/dbraw/zinc/93/74/19/495937419.db2.gz DKYCXPINIZYREW-NQIIRXRSSA-N 2 0 372.557 3.165 20 0 FGADRP CCCOc1c(Cl)cc(CN(CCO)C2CC[NH+](C)CC2)cc1OC ZINC000155496668 495973587 /nfs/dbraw/zinc/97/35/87/495973587.db2.gz GWBZMHKYUFOQFM-UHFFFAOYSA-N 2 0 370.921 3.026 20 0 FGADRP CC[C@H]([NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1)c1ccccc1F ZINC000180413328 495986997 /nfs/dbraw/zinc/98/69/97/495986997.db2.gz ZEZVPBVOOSMASI-FQEVSTJZSA-N 2 0 357.473 3.358 20 0 FGADRP CCC[N@@H+]1CC[C@@H](CNC(=O)NC(C)(C)CC[NH+]2CCCCCC2)C1 ZINC000186410997 495988739 /nfs/dbraw/zinc/98/87/39/495988739.db2.gz FVBWUUIGJXDNHO-SFHVURJKSA-N 2 0 352.567 3.062 20 0 FGADRP CC[N@H+](CCNC(=O)N1CCC(CCC[NH+]2CCCC2)CC1)C(C)C ZINC000155575549 496001401 /nfs/dbraw/zinc/00/14/01/496001401.db2.gz ZMECNYZFTRHEID-UHFFFAOYSA-N 2 0 352.567 3.014 20 0 FGADRP CC[C@H]([NH2+]CCc1ccc(OCC[NH+]2CCCC2)cc1)c1cnn(C)c1 ZINC000183494792 496008089 /nfs/dbraw/zinc/00/80/89/496008089.db2.gz SPCJDLFJHSBMST-NRFANRHFSA-N 2 0 356.514 3.178 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2C[C@H](OCC)C23CCCC3)[C@H](C)C1 ZINC000151971589 496008783 /nfs/dbraw/zinc/00/87/83/496008783.db2.gz ARDJYAKCLWLVQE-WCIQWLHISA-N 2 0 352.563 3.451 20 0 FGADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H](C)c2nc(-c3ccccc3)cs2)CC1 ZINC000155727162 496048745 /nfs/dbraw/zinc/04/87/45/496048745.db2.gz DCKAFLKZGFHAGV-IAGOWNOFSA-N 2 0 358.555 3.487 20 0 FGADRP CC[C@@H](C)[C@H]([NH3+])C(=O)NC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000155730363 496050458 /nfs/dbraw/zinc/05/04/58/496050458.db2.gz YULZRICGFMQNAK-PXAZEXFGSA-N 2 0 372.340 3.447 20 0 FGADRP C[NH+](C)Cc1cccc(C(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000155739166 496052664 /nfs/dbraw/zinc/05/26/64/496052664.db2.gz SMVJVRJEDVGAAX-OAQYLSRUSA-N 2 0 351.494 3.143 20 0 FGADRP CCC[NH+](CCC)CCCNC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000174680593 496059765 /nfs/dbraw/zinc/05/97/65/496059765.db2.gz OJKLWBJMASDATL-MOPGFXCFSA-N 2 0 352.567 3.155 20 0 FGADRP CCN(CC[NH2+][C@@H](C)CC(=O)Nc1cccc(Br)c1)C1CC1 ZINC000155818848 496077432 /nfs/dbraw/zinc/07/74/32/496077432.db2.gz MBDUWXJDCGKKLS-ZDUSSCGKSA-N 2 0 368.319 3.240 20 0 FGADRP COc1ccc([C@@H]([NH2+]CCN2CCC([NH+](C)C)CC2)c2ccccc2)cc1 ZINC000180711960 496113278 /nfs/dbraw/zinc/11/32/78/496113278.db2.gz VFNCMQSCTULCAZ-QHCPKHFHSA-N 2 0 367.537 3.400 20 0 FGADRP O=C(c1ccccc1Cl)N1CCC([NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000152366878 496129178 /nfs/dbraw/zinc/12/91/78/496129178.db2.gz BGZGBLQRLWQSSJ-OAHLLOKOSA-N 2 0 361.917 3.019 20 0 FGADRP O=C(NCc1cccc(Cn2ccnc2)c1)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000177654531 496147530 /nfs/dbraw/zinc/14/75/30/496147530.db2.gz CQNASSXBJDYXMM-FQEVSTJZSA-N 2 0 366.509 3.202 20 0 FGADRP CCOc1ccc(C2(C[NH2+][C@@H]3C[C@H](C)[N@H+](C)C[C@@H]3C)CCOCC2)cc1 ZINC000152457448 496158030 /nfs/dbraw/zinc/15/80/30/496158030.db2.gz AQLOFVHKKCQNFN-BBTUJRGHSA-N 2 0 360.542 3.452 20 0 FGADRP CC(C)N1CCC[C@@H]([NH+]2CCC(C[N@H+](C)Cc3ccccc3)CC2)C1=O ZINC000177702947 496165173 /nfs/dbraw/zinc/16/51/73/496165173.db2.gz PBAUMZNWDLYMRI-OAQYLSRUSA-N 2 0 357.542 3.230 20 0 FGADRP Cc1cccc(N2CCC(NC(=O)[C@@H]3CC[N@@H+](C4CCCCC4)C3)CC2)n1 ZINC000177724906 496173817 /nfs/dbraw/zinc/17/38/17/496173817.db2.gz JNLFGFWERRPGHH-GOSISDBHSA-N 2 0 370.541 3.130 20 0 FGADRP CCC[N@H+](C)C[C@H]1CC[NH+](CCC(=O)Nc2ccc(Cl)cc2F)C1 ZINC000174960048 496183226 /nfs/dbraw/zinc/18/32/26/496183226.db2.gz RDRDCKHSWVFWID-CQSZACIVSA-N 2 0 355.885 3.471 20 0 FGADRP CC(C)(C)OC(=O)c1ccc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)cc1 ZINC000156194651 496183470 /nfs/dbraw/zinc/18/34/70/496183470.db2.gz QBDKCSLMNWNXKD-UHFFFAOYSA-N 2 0 374.525 3.186 20 0 FGADRP CC[NH+](CC)Cc1cccc(CNC(=O)N2CC[C@@H](C[N@@H+](C)CC)C2)c1 ZINC000177850254 496221951 /nfs/dbraw/zinc/22/19/51/496221951.db2.gz WSUYYVOSIWVLQB-FQEVSTJZSA-N 2 0 360.546 3.012 20 0 FGADRP CC[NH+](CC)Cc1cccc(CNC(=O)N2CC[C@H]([NH+](CC)CC)C2)c1 ZINC000175199683 496288277 /nfs/dbraw/zinc/28/82/77/496288277.db2.gz SQZGUSFJBDMVEW-FQEVSTJZSA-N 2 0 360.546 3.154 20 0 FGADRP O=C(c1cccc(C[NH+]2CCCC2)c1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000172420420 496290896 /nfs/dbraw/zinc/29/08/96/496290896.db2.gz UCHANOODIAVZBQ-UHFFFAOYSA-N 2 0 355.526 3.373 20 0 FGADRP [NH3+]CC1(CC(=O)N2CCCN(Cc3ccc(F)cc3)CC2)CCCCC1 ZINC000184221526 496291987 /nfs/dbraw/zinc/29/19/87/496291987.db2.gz BNHVCVLZQQSXEX-UHFFFAOYSA-N 2 0 361.505 3.159 20 0 FGADRP CCc1ccc(C[NH+]2CCC(C(=O)NCCC[NH+](CC)CC)CC2)cc1 ZINC000172431795 496295725 /nfs/dbraw/zinc/29/57/25/496295725.db2.gz VQIIWKIIRMOJAO-UHFFFAOYSA-N 2 0 359.558 3.309 20 0 FGADRP COc1ccc(C[C@H](C)[NH2+]CCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1OC ZINC000178037830 496299051 /nfs/dbraw/zinc/29/90/51/496299051.db2.gz VOHQKRUNAVKFIL-OKZBNKHCSA-N 2 0 364.530 3.114 20 0 FGADRP O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000172506969 496321506 /nfs/dbraw/zinc/32/15/06/496321506.db2.gz IBJFMDRYWSBWKA-MOPGFXCFSA-N 2 0 374.529 3.076 20 0 FGADRP CC[NH+](CC)Cc1ccccc1CNC(=O)NC[C@H]1CC[N@H+](CC(C)C)C1 ZINC000156734883 496322227 /nfs/dbraw/zinc/32/22/27/496322227.db2.gz KTYWJNGOBWTCBB-LJQANCHMSA-N 2 0 374.573 3.306 20 0 FGADRP C[C@@H](CCNC(=O)NC1CC[NH+](CC2CC2)CC1)[N@H+](C)Cc1ccccc1 ZINC000175338218 496346680 /nfs/dbraw/zinc/34/66/80/496346680.db2.gz NYWWTTWYDFLBFX-SFHVURJKSA-N 2 0 372.557 3.071 20 0 FGADRP NC(=O)[C@H]1CCC[N@H+](Cc2cccc(C[NH2+][C@H]3CCc4ccccc43)c2)C1 ZINC000156902643 496360213 /nfs/dbraw/zinc/36/02/13/496360213.db2.gz QWMXMSIPZKUMOS-UNMCSNQZSA-N 2 0 363.505 3.161 20 0 FGADRP COc1ccc(OC)c([C@H](C)[NH2+]Cc2cccc(OCC[NH+](C)C)c2)c1 ZINC000162538440 496369259 /nfs/dbraw/zinc/36/92/59/496369259.db2.gz DFOUAQVCBHLSJH-INIZCTEOSA-N 2 0 358.482 3.495 20 0 FGADRP Cc1cncc([C@H](C)[NH2+]Cc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)c1 ZINC000184407494 496371262 /nfs/dbraw/zinc/37/12/62/496371262.db2.gz CXVNAHNXJYSCPD-SFHVURJKSA-N 2 0 366.509 3.066 20 0 FGADRP CC(C)[C@@H](C[NH2+]Cc1ccc(F)c(C(F)(F)F)c1)N1CC[NH+](C)CC1 ZINC000162571803 496375244 /nfs/dbraw/zinc/37/52/44/496375244.db2.gz KOCHPFCNJJTARP-QGZVFWFLSA-N 2 0 361.427 3.206 20 0 FGADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)c1oc2ccccc2c1C[NH+](C)C ZINC000172812239 496442925 /nfs/dbraw/zinc/44/29/25/496442925.db2.gz MKRKQMAQFQERHI-MRXNPFEDSA-N 2 0 357.498 3.489 20 0 FGADRP COc1ccccc1[C@H](O)C[NH2+][C@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000178443660 496458832 /nfs/dbraw/zinc/45/88/32/496458832.db2.gz HHICXLQXQOGKNG-OXQOHEQNSA-N 2 0 358.482 3.020 20 0 FGADRP C[C@@H](CCNC(=O)N1CCC[C@H]1C[NH+]1CCCC1)[N@H+](C)Cc1ccccc1 ZINC000175631462 496473812 /nfs/dbraw/zinc/47/38/12/496473812.db2.gz OOWSRDOBLLZGHY-FPOVZHCZSA-N 2 0 372.557 3.167 20 0 FGADRP CC[NH+](CC)[C@@H]1CCN(C(=O)NCC[C@H](C)[N@H+](C)Cc2ccccc2)C1 ZINC000175632545 496473967 /nfs/dbraw/zinc/47/39/67/496473967.db2.gz WLMYGMWRUGDVRR-AZUAARDMSA-N 2 0 360.546 3.023 20 0 FGADRP CC[NH+]1CCC(N(C)CC(=O)N(Cc2ccco2)c2ccccc2)CC1 ZINC000157474697 496483364 /nfs/dbraw/zinc/48/33/64/496483364.db2.gz REKGYNRUEDYRQU-UHFFFAOYSA-N 2 0 355.482 3.229 20 0 FGADRP CCC[N@H+](CC)CCNC(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000175770443 496538176 /nfs/dbraw/zinc/53/81/76/496538176.db2.gz ORSMFPQYRCNKBT-UHFFFAOYSA-N 2 0 360.546 3.024 20 0 FGADRP CCC[NH+]1CCC(CNC(=O)NCc2cccc(C[NH+](CC)CC)c2)CC1 ZINC000157737034 496542277 /nfs/dbraw/zinc/54/22/77/496542277.db2.gz GPFGWYYWCPMOJG-UHFFFAOYSA-N 2 0 374.573 3.450 20 0 FGADRP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1cccc(C[NH+](C)C)c1 ZINC000175787904 496546158 /nfs/dbraw/zinc/54/61/58/496546158.db2.gz KLUIKEBJNSNQCT-NRFANRHFSA-N 2 0 365.521 3.342 20 0 FGADRP C[C@H](CC(=O)NCc1ccccc1C[NH+]1CCCCC1)[C@H]1CCC[NH2+]C1 ZINC000163889801 496566973 /nfs/dbraw/zinc/56/69/73/496566973.db2.gz FZUFILKETBSLOY-MOPGFXCFSA-N 2 0 357.542 3.315 20 0 FGADRP CCO[C@@H]1C[C@H]([NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)C12CCC2 ZINC000181860859 496575879 /nfs/dbraw/zinc/57/58/79/496575879.db2.gz ULNUZORTSUNDBW-LEWJYISDSA-N 2 0 358.526 3.081 20 0 FGADRP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000157929349 496589081 /nfs/dbraw/zinc/58/90/81/496589081.db2.gz VTGZSGKJIBKXQT-CVEARBPZSA-N 2 0 370.534 3.392 20 0 FGADRP Cc1nn(-c2ccccc2)c(C)c1C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000173211269 496595477 /nfs/dbraw/zinc/59/54/77/496595477.db2.gz PYAZRJLJVWGOED-UHFFFAOYSA-N 2 0 368.525 3.033 20 0 FGADRP C[C@H]1C[C@H](C[NH3+])CN1C(=O)NCc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000574784002 505854765 /nfs/dbraw/zinc/85/47/65/505854765.db2.gz JEXPZOFPTFCKIC-ZSYWTGECSA-N 2 0 372.557 3.043 20 0 FGADRP COC[C@H](Cc1ccccc1)[NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000165316398 496654771 /nfs/dbraw/zinc/65/47/71/496654771.db2.gz SBKKNZRJWOKNDH-GOTSBHOMSA-N 2 0 352.522 3.398 20 0 FGADRP O=C(NCC[NH2+]C1CC[NH+](C2CCCCC2)CC1)c1ccccc1Cl ZINC000165496953 496659968 /nfs/dbraw/zinc/65/99/68/496659968.db2.gz SJLRPMLHJJLHFN-UHFFFAOYSA-N 2 0 363.933 3.457 20 0 FGADRP C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N(C)CC[NH+](C)C2CC2)C1 ZINC000185125447 496671692 /nfs/dbraw/zinc/67/16/92/496671692.db2.gz BJQWIYDZCPFICZ-SFHVURJKSA-N 2 0 372.557 3.154 20 0 FGADRP CCO[C@H]1C[C@@]([NH3+])(C(=O)Nc2cccc(C[NH+]3CCCCC3)c2)C1(C)C ZINC000188080504 496675260 /nfs/dbraw/zinc/67/52/60/496675260.db2.gz MVPFFMJOPXBEHF-GHTZIAJQSA-N 2 0 359.514 3.144 20 0 FGADRP CC(C)[C@H](C[NH2+][C@H](C[C@@H]1CCOC1)c1ccccc1)N1CC[NH+](C)CC1 ZINC000166108529 496678179 /nfs/dbraw/zinc/67/81/79/496678179.db2.gz UYRZQPKTTLHCGC-NNWRFLSQSA-N 2 0 359.558 3.016 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccccc1 ZINC000173414062 496683062 /nfs/dbraw/zinc/68/30/62/496683062.db2.gz XWQOPLREEPZNLB-MISYRCLQSA-N 2 0 360.546 3.194 20 0 FGADRP O=C(Nc1cccc(C[NH+]2CCSCC2)c1)[C@@H]1[NH2+]CCc2ccccc21 ZINC000166695536 496690412 /nfs/dbraw/zinc/69/04/12/496690412.db2.gz CHXPRQLWQDZZMI-HXUWFJFHSA-N 2 0 367.518 3.061 20 0 FGADRP C[C@H](CC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)[C@@H]1CCC[NH2+]C1 ZINC000167543912 496701734 /nfs/dbraw/zinc/70/17/34/496701734.db2.gz WOCNUTYVFFAQDK-KOUHRCEDSA-N 2 0 357.542 3.182 20 0 FGADRP C[N@@H+]1CC[C@@H](NC(=O)NC2CC[NH+](C3CCCC3)CC2)[C@@H]1c1ccccc1 ZINC000179186421 496704876 /nfs/dbraw/zinc/70/48/76/496704876.db2.gz GETFGFPMCCWDBW-RTWAWAEBSA-N 2 0 370.541 3.138 20 0 FGADRP C[C@H](CCNC(=O)c1oc2ccccc2c1C[NH+](C)C)[NH+]1CCCCC1 ZINC000182239265 496717912 /nfs/dbraw/zinc/71/79/12/496717912.db2.gz OIJGYBPKXIDIKW-MRXNPFEDSA-N 2 0 357.498 3.489 20 0 FGADRP COCCC[NH+]1CCC(N[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000268800896 496789810 /nfs/dbraw/zinc/78/98/10/496789810.db2.gz ANBCPEGFHDGICX-KNQAVFIVSA-N 2 0 359.558 3.130 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cccc(-n2cncn2)c1 ZINC000268940886 496829127 /nfs/dbraw/zinc/82/91/27/496829127.db2.gz SSDPYNHKWGCNDX-GCJKJVERSA-N 2 0 361.493 3.268 20 0 FGADRP C[C@H]([NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(-n2cncn2)cc1 ZINC000195134432 496830217 /nfs/dbraw/zinc/83/02/17/496830217.db2.gz GDGJNBQPUYRTAG-ICSRJNTNSA-N 2 0 361.493 3.440 20 0 FGADRP CCN(CCC[NH+](C)C)C(=O)NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000188586058 496842052 /nfs/dbraw/zinc/84/20/52/496842052.db2.gz UFPXVFUWWOMQRO-LJQANCHMSA-N 2 0 374.573 3.402 20 0 FGADRP CCC[N@H+](C)C[C@@H]1CC[NH+](C[C@H](O)CO[C@H](C)c2ccc(Cl)cc2)C1 ZINC000247401199 496852009 /nfs/dbraw/zinc/85/20/09/496852009.db2.gz XHRIIOYZKGPJEU-UWVAXJGDSA-N 2 0 368.949 3.442 20 0 FGADRP C[C@@H]1CC[N@H+](CCOc2ccc(NC(=O)CC3C[C@H]4CC[C@@H](C3)[NH2+]4)cc2)C1 ZINC000269256394 496906008 /nfs/dbraw/zinc/90/60/08/496906008.db2.gz JZVPIYQUXPMIAN-FQVATPOOSA-N 2 0 371.525 3.266 20 0 FGADRP C[N@@H+]1CCC[C@@H]2CN([C@@H]3CCCN(c4ccccc4Cl)C3=O)CC[C@H]21 ZINC000247942634 496930346 /nfs/dbraw/zinc/93/03/46/496930346.db2.gz DEFUGEGXJBENEV-SZVBFZGTSA-N 2 0 361.917 3.252 20 0 FGADRP C[C@@H]1CN(Cc2ccccn2)CC[C@H]1[NH2+]CCc1ccc2c(c1)CCO2 ZINC000247961200 496933538 /nfs/dbraw/zinc/93/35/38/496933538.db2.gz GFPOIHBFXULVLS-DYESRHJHSA-N 2 0 351.494 3.059 20 0 FGADRP C[N@@H+]1CC[C@H](NC(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)[C@H]1c1ccccc1 ZINC000248058404 496949062 /nfs/dbraw/zinc/94/90/62/496949062.db2.gz ORJBFWMSXFFIND-PCCBWWKXSA-N 2 0 370.541 3.092 20 0 FGADRP COc1cc(OC)c([C@@H](C)[NH2+]CCCC[N@@H+]2CCC[C@H]2CO)cc1Cl ZINC000248152741 496963753 /nfs/dbraw/zinc/96/37/53/496963753.db2.gz QYLBDYLPSZWTGK-CABCVRRESA-N 2 0 370.921 3.245 20 0 FGADRP CN(Cc1ccccc1N(C)C1CC[NH+](C)CC1)CC1([NH+](C)C)CCC1 ZINC000189004827 496975999 /nfs/dbraw/zinc/97/59/99/496975999.db2.gz HOFROGDZFJCHPK-UHFFFAOYSA-N 2 0 358.574 3.133 20 0 FGADRP CC(C)[N@H+](CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)Cc1ccccc1 ZINC000216447769 496989480 /nfs/dbraw/zinc/98/94/80/496989480.db2.gz UCEPHGUMOHPZDI-OAQYLSRUSA-N 2 0 353.510 3.316 20 0 FGADRP C[C@H](NC(=O)[C@H]1CCC[N@@H+]1Cc1ccccc1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000248390679 496992115 /nfs/dbraw/zinc/99/21/15/496992115.db2.gz BPRQGRPNHCLXMJ-CZTZKLFOSA-N 2 0 369.553 3.420 20 0 FGADRP c1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH2+]CCCOC4CCOCC4)[C@H]3C2)cc1 ZINC000248409295 497001268 /nfs/dbraw/zinc/00/12/68/497001268.db2.gz WMLGQKNWNRYRHO-PMVMPFDFSA-N 2 0 372.553 3.462 20 0 FGADRP CCc1nc2c(s1)[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1)CCC2 ZINC000248434336 497010272 /nfs/dbraw/zinc/01/02/72/497010272.db2.gz DUUCYDUOGRJBQX-QZTJIDSGSA-N 2 0 371.550 3.439 20 0 FGADRP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1ccccc1N(C)C ZINC000248436016 497010757 /nfs/dbraw/zinc/01/07/57/497010757.db2.gz GBSTXZGQISLZAM-FXAWDEMLSA-N 2 0 353.510 3.170 20 0 FGADRP C[NH+](C)C1CCN(CC[NH2+]Cc2ccc(Br)c(Cl)c2)CC1 ZINC000192195817 497029221 /nfs/dbraw/zinc/02/92/21/497029221.db2.gz PFUPMXMZCYWGHW-UHFFFAOYSA-N 2 0 374.754 3.218 20 0 FGADRP Cc1cc(C)cc(OC[C@H](O)C[NH2+][C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000248554980 497038127 /nfs/dbraw/zinc/03/81/27/497038127.db2.gz HWUVNEYIOARJDN-IRFCIJBXSA-N 2 0 360.542 3.286 20 0 FGADRP C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(Cc2cccc(C(=O)N(C)C)c2)C1 ZINC000265064150 497040638 /nfs/dbraw/zinc/04/06/38/497040638.db2.gz NVRVHIKCYPUWBR-ICSRJNTNSA-N 2 0 357.542 3.475 20 0 FGADRP CC(C)CN(C(=O)c1cccc(C[NH+]2CCCC2)c1)C1CC[NH+](C)CC1 ZINC000265102414 497048060 /nfs/dbraw/zinc/04/80/60/497048060.db2.gz HSZOCDDWTWRROF-UHFFFAOYSA-N 2 0 357.542 3.475 20 0 FGADRP Cc1nc(F)ccc1C[NH2+]Cc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000278278795 497060347 /nfs/dbraw/zinc/06/03/47/497060347.db2.gz AUBWMQQPFZQEJK-HZPDHXFCSA-N 2 0 357.473 3.428 20 0 FGADRP C[NH+](C)[C@H]1CCC[C@@H]([NH2+]C2CCC(N3C(=O)c4ccccc4C3=O)CC2)C1 ZINC000189272976 497066309 /nfs/dbraw/zinc/06/63/09/497066309.db2.gz ZGDNUWSXWMGQAO-FPQWYMTMSA-N 2 0 369.509 3.056 20 0 FGADRP COCCC1(C[NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)CCCCC1 ZINC000189310308 497076789 /nfs/dbraw/zinc/07/67/89/497076789.db2.gz BKJYCLXTWMWZIH-VQTJNVASSA-N 2 0 352.563 3.331 20 0 FGADRP COCCC1(C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)CCCCC1 ZINC000189310282 497077219 /nfs/dbraw/zinc/07/72/19/497077219.db2.gz BKJYCLXTWMWZIH-WOJBJXKFSA-N 2 0 352.563 3.331 20 0 FGADRP CCc1cccc(C[NH+]2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)c1 ZINC000189364972 497096229 /nfs/dbraw/zinc/09/62/29/497096229.db2.gz BLWOPNZYTGMSBE-UHFFFAOYSA-N 2 0 359.558 3.165 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1ccsc1Cl ZINC000189409611 497110069 /nfs/dbraw/zinc/11/00/69/497110069.db2.gz ORCPVCVFGALMFU-CYBMUJFWSA-N 2 0 358.939 3.281 20 0 FGADRP CC1CC[NH+]([C@H](CNC(=O)c2ccc(C[NH3+])cc2)c2cccs2)CC1 ZINC000236662073 497128687 /nfs/dbraw/zinc/12/86/87/497128687.db2.gz LJKDNQNCJLWAMC-GOSISDBHSA-N 2 0 357.523 3.410 20 0 FGADRP CC1CC[NH+]([C@H](CNC(=O)c2ccc(C[NH3+])cc2)c2ccccc2)CC1 ZINC000236662048 497128739 /nfs/dbraw/zinc/12/87/39/497128739.db2.gz ZTCQDYBXMWGCLH-OAQYLSRUSA-N 2 0 351.494 3.348 20 0 FGADRP C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+][C@@H](C)CCN1CC[NH+](C)CC1 ZINC000274640280 497136630 /nfs/dbraw/zinc/13/66/30/497136630.db2.gz RCRALCQRILLGKA-JKSUJKDBSA-N 2 0 357.464 3.252 20 0 FGADRP O=C(c1ccc(C[NH+]2CCCC2)cc1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000265660462 497156431 /nfs/dbraw/zinc/15/64/31/497156431.db2.gz OLZIVEZFJBSEJN-OAQYLSRUSA-N 2 0 355.526 3.373 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)C[C@@H](C)C1CC[NH2+]CC1)Cc1ccccc1 ZINC000236876709 497161280 /nfs/dbraw/zinc/16/12/80/497161280.db2.gz XQIGJVDELGIVQX-NQIIRXRSSA-N 2 0 359.558 3.082 20 0 FGADRP CC[NH+](CC)CCOc1ccc(C(=O)Nc2cccc(C[NH2+]C)c2)cc1 ZINC000236881463 497163114 /nfs/dbraw/zinc/16/31/14/497163114.db2.gz VPYGNBNYKNJSBH-UHFFFAOYSA-N 2 0 355.482 3.379 20 0 FGADRP COc1cc(Br)c(C[NH2+]CC2CC[NH+](C3CC3)CC2)cc1O ZINC000278626454 497171301 /nfs/dbraw/zinc/17/13/01/497171301.db2.gz HQZMXPZTDJKAJE-UHFFFAOYSA-N 2 0 369.303 3.127 20 0 FGADRP Cc1ccc(NC(=O)N2CCC[C@H](c3ncc[nH]3)C2)c(OCC[NH+](C)C)c1 ZINC000265734054 497171738 /nfs/dbraw/zinc/17/17/38/497171738.db2.gz TYCAYNFRYZQYTL-INIZCTEOSA-N 2 0 371.485 3.070 20 0 FGADRP C[C@@H]1CC[N@H+](Cc2cnn(Cc3ccc(F)cc3)c2)C[C@H]1n1ccnc1 ZINC000249251460 497183699 /nfs/dbraw/zinc/18/36/99/497183699.db2.gz CCHUBSWLCBIPPE-OXQOHEQNSA-N 2 0 353.445 3.350 20 0 FGADRP CCNC(=O)C1(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CCC1 ZINC000278701717 497194411 /nfs/dbraw/zinc/19/44/11/497194411.db2.gz LBTLIRQDILQGAK-ACDBMABISA-N 2 0 355.526 3.078 20 0 FGADRP CC(=O)NC1CCC([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC000278750261 497208175 /nfs/dbraw/zinc/20/81/75/497208175.db2.gz NWZLFZWNMIUQSH-ARZFCEMVSA-N 2 0 355.526 3.219 20 0 FGADRP CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)C1CC[NH+](C2CC2)CC1 ZINC000192800784 497218243 /nfs/dbraw/zinc/21/82/43/497218243.db2.gz FVOYVRNBVQVGGJ-UHFFFAOYSA-N 2 0 370.541 3.021 20 0 FGADRP C[NH+](C)CCCC1CCN(C(=O)NC[C@H](c2ccsc2)[NH+](C)C)CC1 ZINC000270873564 497219450 /nfs/dbraw/zinc/21/94/50/497219450.db2.gz CNQOHXKCHANNOT-GOSISDBHSA-N 2 0 366.575 3.114 20 0 FGADRP CC[NH+](CC)CCOc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)cc1 ZINC000578228049 505892685 /nfs/dbraw/zinc/89/26/85/505892685.db2.gz GISBANHJXOPRQW-VSKRKVRLSA-N 2 0 359.558 3.370 20 0 FGADRP COc1ccc(C[NH2+]CCCC[NH+]2CCN(Cc3ccccc3)CC2)cc1 ZINC000237377230 497227770 /nfs/dbraw/zinc/22/77/70/497227770.db2.gz FKIHXNSTYUOZNV-UHFFFAOYSA-N 2 0 367.537 3.383 20 0 FGADRP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)C1(c2ccccc2)CC[NH2+]CC1 ZINC000237496362 497247025 /nfs/dbraw/zinc/24/70/25/497247025.db2.gz AMIZDJJPYRJJOY-IBGZPJMESA-N 2 0 357.542 3.079 20 0 FGADRP C[C@H]([NH2+]C1(CNC(=O)[C@@H]([NH3+])c2ccccc2)CCCC1)c1ccccc1 ZINC000237525393 497250043 /nfs/dbraw/zinc/25/00/43/497250043.db2.gz NZMKEBLFLUEKPV-PXNSSMCTSA-N 2 0 351.494 3.466 20 0 FGADRP C[C@H](CC(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000237600260 497261516 /nfs/dbraw/zinc/26/15/16/497261516.db2.gz ZTVAHEAKURNAJS-QWFCFKBJSA-N 2 0 357.542 3.354 20 0 FGADRP C[C@H](CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000237596112 497261580 /nfs/dbraw/zinc/26/15/80/497261580.db2.gz NOMLEAVQFRNQKY-FDKRGKGCSA-N 2 0 369.553 3.324 20 0 FGADRP CCC[N@@H+]1CC[C@H](CNC(=O)NC[C@H](c2ccc(C)cc2)[NH+]2CCCC2)C1 ZINC000250431949 497266328 /nfs/dbraw/zinc/26/63/28/497266328.db2.gz JLXUFHILYOPMET-TZIWHRDSSA-N 2 0 372.557 3.163 20 0 FGADRP Cc1ccc([C@H](CNC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)[NH+]2CCCC2)cc1 ZINC000237644835 497267567 /nfs/dbraw/zinc/26/75/67/497267567.db2.gz WRDPRRZZSLUHGY-KRIYCRJKSA-N 2 0 355.526 3.169 20 0 FGADRP C[C@@H](C(=O)NCc1ccnc(N2CCCCC2)c1)[C@H]([NH3+])c1ccccc1 ZINC000237714959 497279970 /nfs/dbraw/zinc/27/99/70/497279970.db2.gz OMYMTZBIPJBGBV-UZLBHIALSA-N 2 0 352.482 3.024 20 0 FGADRP CC[NH+](CC)CCOc1ccc(C[NH2+]Cc2scnc2C)cc1OC ZINC000266230935 497285776 /nfs/dbraw/zinc/28/57/76/497285776.db2.gz UINBLFRKSFNGQL-UHFFFAOYSA-N 2 0 363.527 3.471 20 0 FGADRP Cc1ccccc1OC[C@H](O)C[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000252480954 497302338 /nfs/dbraw/zinc/30/23/38/497302338.db2.gz HHSUVVLCBFRJKE-FGZHOGPDSA-N 2 0 368.521 3.189 20 0 FGADRP [NH3+][C@@H]1CCCCCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000237894621 497309088 /nfs/dbraw/zinc/30/90/88/497309088.db2.gz RMQOVOUDRSXPIR-QXAKKESOSA-N 2 0 363.571 3.374 20 0 FGADRP [NH3+][C@H](CCC(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1)c1ccccc1 ZINC000237938208 497317064 /nfs/dbraw/zinc/31/70/64/497317064.db2.gz NMUBLWLVHHKKFB-NHCUHLMSSA-N 2 0 351.494 3.420 20 0 FGADRP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+][C@H]2CCOC3(CCC3)C2)CC1 ZINC000271344849 497324785 /nfs/dbraw/zinc/32/47/85/497324785.db2.gz HAPJLIHMQQEJPZ-INIZCTEOSA-N 2 0 363.933 3.283 20 0 FGADRP O=C(NCc1ccccc1C[NH+]1CCCCC1)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000238029827 497330371 /nfs/dbraw/zinc/33/03/71/497330371.db2.gz CCXZZBBCWRTQDY-QFIPXVFZSA-N 2 0 363.505 3.003 20 0 FGADRP CCS[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000190066352 497344164 /nfs/dbraw/zinc/34/41/64/497344164.db2.gz TZGUFWCPTGKKAR-GBESFXJTSA-N 2 0 363.571 3.059 20 0 FGADRP C[C@H]1C[C@@H](C(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)CC[N@@H+]1C ZINC000279240178 497378347 /nfs/dbraw/zinc/37/83/47/497378347.db2.gz RNJOYLRBDIQWOU-RDJZCZTQSA-N 2 0 363.933 3.151 20 0 FGADRP C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000255958574 497381574 /nfs/dbraw/zinc/38/15/74/497381574.db2.gz GXRXXRZOSGAOMF-OALUTQOASA-N 2 0 372.557 3.202 20 0 FGADRP C[C@@H]1C[C@@H](N(C)C(=O)[C@H]2CCCCN2Cc2ccc(F)cc2)CC[N@@H+]1C ZINC000245419260 497395215 /nfs/dbraw/zinc/39/52/15/497395215.db2.gz LNOSDIMEONXBTI-LSTHTHJFSA-N 2 0 361.505 3.121 20 0 FGADRP FC(F)(F)Cn1ccnc1CN1CC[NH2+]C[C@@H]1c1cccc(Cl)c1 ZINC000261645736 497425649 /nfs/dbraw/zinc/42/56/49/497425649.db2.gz GUIXOHMVIUMSGY-CQSZACIVSA-N 2 0 358.795 3.245 20 0 FGADRP C[N@H+](Cc1ccccc1)C1(CNC(=O)[C@@H]2CCCc3nc[nH]c32)CCC1 ZINC000569321452 505907105 /nfs/dbraw/zinc/90/71/05/505907105.db2.gz ULUKEAZQRHQQBY-QGZVFWFLSA-N 2 0 352.482 3.001 20 0 FGADRP Brc1cccc(N[C@@H]2CCC[N@H+](CC3CC[NH2+]CC3)C2)c1 ZINC000261803618 497454488 /nfs/dbraw/zinc/45/44/88/497454488.db2.gz HDRFFDRICADAHM-QGZVFWFLSA-N 2 0 352.320 3.325 20 0 FGADRP C[C@H]1C[C@H](C[NH3+])CN1C(=O)c1cccc(C[N@H+](C)Cc2ccccc2)c1 ZINC000261835914 497459478 /nfs/dbraw/zinc/45/94/78/497459478.db2.gz OPNIJRJILMOFAW-FXAWDEMLSA-N 2 0 351.494 3.128 20 0 FGADRP C[C@@H]1C[NH+](Cc2ccc(-c3nc(C4([NH3+])CCCC4)no3)cc2)C[C@@H](C)O1 ZINC000261849381 497461516 /nfs/dbraw/zinc/46/15/16/497461516.db2.gz SSBLYEUQNGGCJC-HUUCEWRRSA-N 2 0 356.470 3.074 20 0 FGADRP CC[NH+](CC)CCOc1ccc(C[NH2+][C@H]2CCO[C@@H](C)C2)cc1OC ZINC000271828091 497462984 /nfs/dbraw/zinc/46/29/84/497462984.db2.gz IRBQXXXPSGGNJQ-WMZOPIPTSA-N 2 0 350.503 3.073 20 0 FGADRP CC[NH+](CC)CCOc1ccc(C[NH2+][C@H](c2nccn2C)C2CC2)cc1 ZINC000271835263 497464637 /nfs/dbraw/zinc/46/46/37/497464637.db2.gz RXXXFSQNWLENMJ-FQEVSTJZSA-N 2 0 356.514 3.382 20 0 FGADRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N(C)CC[C@H]2CCCC[NH+]2C)C1 ZINC000245590761 497467991 /nfs/dbraw/zinc/46/79/91/497467991.db2.gz AZOCWJCGELSYHQ-QZTJIDSGSA-N 2 0 352.567 3.013 20 0 FGADRP C[C@@]1(C[NH3+])CC[N@H+](CCC(=O)N[C@@H](c2cccs2)c2ccccc2)C1 ZINC000261896484 497471343 /nfs/dbraw/zinc/47/13/43/497471343.db2.gz WAUHOHJTQXLOCT-UXHICEINSA-N 2 0 357.523 3.015 20 0 FGADRP O=C(CC[NH2+]CC1CC[NH+](C2CC2)CC1)Nc1cccc(C(F)(F)F)c1 ZINC000569333082 505909397 /nfs/dbraw/zinc/90/93/97/505909397.db2.gz QOTXLKUDKPPAKX-UHFFFAOYSA-N 2 0 369.431 3.498 20 0 FGADRP C[N@@H+]1CC[C@@H](NC(=O)NC2CC[NH+](C3CCCC3)CC2)[C@H]1c1ccccc1 ZINC000245624614 497479424 /nfs/dbraw/zinc/47/94/24/497479424.db2.gz GETFGFPMCCWDBW-NHCUHLMSSA-N 2 0 370.541 3.138 20 0 FGADRP CC(C)[C@@H](CNC(=O)NC1CC[NH+](C(C)(C)C)CC1)[NH+]1CCC(C)CC1 ZINC000193842031 497499522 /nfs/dbraw/zinc/49/95/22/497499522.db2.gz MJWXYSGMBOERLL-LJQANCHMSA-N 2 0 366.594 3.305 20 0 FGADRP Ic1ccc([C@H]2CCC[N@@H+]2CC2CC[NH2+]CC2)cc1 ZINC000262289957 497535540 /nfs/dbraw/zinc/53/55/40/497535540.db2.gz VXECSVOCUMKZGZ-MRXNPFEDSA-N 2 0 370.278 3.428 20 0 FGADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H]2CCc3ccc(Br)cc32)CC1 ZINC000193974663 497537593 /nfs/dbraw/zinc/53/75/93/497537593.db2.gz ZGILFXFTIUEKIA-KSSFIOAISA-N 2 0 366.347 3.052 20 0 FGADRP CN(Cc1cccnc1)C[C@@H]1CC[N@H+](CCCOCCc2ccccc2)C1 ZINC000279779792 497538590 /nfs/dbraw/zinc/53/85/90/497538590.db2.gz UHGBCYPCDSJJNV-QHCPKHFHSA-N 2 0 367.537 3.485 20 0 FGADRP C[C@H](C[NH2+][C@@H](C)CCc1ccc(C(F)(F)F)cc1)N1CC[NH+](C)CC1 ZINC000193981912 497538824 /nfs/dbraw/zinc/53/88/24/497538824.db2.gz QFLBWADUCSYPKR-JKSUJKDBSA-N 2 0 357.464 3.252 20 0 FGADRP C[C@@H](C[NH2+][C@@H](c1ccc(Br)s1)C1CC1)N1CC[NH+](C)CC1 ZINC000190600472 497540039 /nfs/dbraw/zinc/54/00/39/497540039.db2.gz BVXASNIFBAIOQS-BLLLJJGKSA-N 2 0 372.376 3.187 20 0 FGADRP C[C@H]([NH2+]CCOCC(F)(F)C(F)F)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000276307505 497540609 /nfs/dbraw/zinc/54/06/09/497540609.db2.gz YCHANNRWTKALRP-HOCLYGCPSA-N 2 0 362.411 3.404 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)[C@H]([NH3+])c1ccc(C)cc1)c1cccc(OC)c1 ZINC000262607790 497582312 /nfs/dbraw/zinc/58/23/12/497582312.db2.gz BFSUXKQGCBVVDL-LEWJYISDSA-N 2 0 369.509 3.203 20 0 FGADRP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+][C@@H]1CCc2c1cccc2Br ZINC000245955318 497583324 /nfs/dbraw/zinc/58/33/24/497583324.db2.gz COVUWXMTGMWURE-KBXCAEBGSA-N 2 0 367.331 3.263 20 0 FGADRP [NH3+]CC1(CC(=O)Nc2cccc(C[NH+]3CCC(CO)CC3)c2)CCCCC1 ZINC000262627682 497586609 /nfs/dbraw/zinc/58/66/09/497586609.db2.gz DTEYRBGKWWEIAV-UHFFFAOYSA-N 2 0 373.541 3.129 20 0 FGADRP C[C@H]1CCC[C@@](CNC(=O)NC2CC[NH+](C(C)(C)C)CC2)([NH+](C)C)C1 ZINC000194160159 497590471 /nfs/dbraw/zinc/59/04/71/497590471.db2.gz COQKVZJBWDUGHK-OXJNMPFZSA-N 2 0 352.567 3.059 20 0 FGADRP C[C@H]1CCC[C@](CNC(=O)NC2CC[NH+](C(C)(C)C)CC2)([NH+](C)C)C1 ZINC000194160193 497590697 /nfs/dbraw/zinc/59/06/97/497590697.db2.gz COQKVZJBWDUGHK-JXFKEZNVSA-N 2 0 352.567 3.059 20 0 FGADRP CN(C(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000262675696 497596893 /nfs/dbraw/zinc/59/68/93/497596893.db2.gz UEGFUGIRHZZXIB-VTHDOGFWSA-N 2 0 355.526 3.030 20 0 FGADRP CC(C)[NH+]1CCN(C2CC[NH+](Cc3ccc(OCC4CC4)cc3)CC2)CC1 ZINC000276709461 497633369 /nfs/dbraw/zinc/63/33/69/497633369.db2.gz CLMNNVDLNAFKCF-UHFFFAOYSA-N 2 0 371.569 3.466 20 0 FGADRP C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)[C@](C)([NH3+])c2ccccc2)C1 ZINC000262870863 497643414 /nfs/dbraw/zinc/64/34/14/497643414.db2.gz MHQWAUSXDJMSLW-WZONZLPQSA-N 2 0 365.521 3.409 20 0 FGADRP COc1ccc([C@H](C)[NH2+]CC2(C)CC[NH+](C)CC2)cc1Cn1cccn1 ZINC000272511329 497648645 /nfs/dbraw/zinc/64/86/45/497648645.db2.gz GJZMYNJRVCYUQN-KRWDZBQOSA-N 2 0 356.514 3.323 20 0 FGADRP CCN1CC[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H](O)CO[C@H](C)c1ccc(Cl)cc1 ZINC000246181619 497650250 /nfs/dbraw/zinc/65/02/50/497650250.db2.gz UCEXZQBDQKVSGQ-XCLNPWKQSA-N 2 0 366.933 3.337 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)[C@](C)([NH3+])c1ccccc1)c1cccc(OC)c1 ZINC000262932350 497658782 /nfs/dbraw/zinc/65/87/82/497658782.db2.gz SWEBMJSJKZXPRN-RBBKRZOGSA-N 2 0 369.509 3.068 20 0 FGADRP Brc1ccccc1N1CC[C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000246230470 497669509 /nfs/dbraw/zinc/66/95/09/497669509.db2.gz MNLAGGJHHJFRON-PMPSAXMXSA-N 2 0 364.331 3.244 20 0 FGADRP CC[NH+](CC)Cc1cccc(CNC(=O)N(C)[C@H]2CC[N@H+](C)C[C@H]2C)c1 ZINC000246276593 497680899 /nfs/dbraw/zinc/68/08/99/497680899.db2.gz JPYVRMBXEULFBP-XLIONFOSSA-N 2 0 360.546 3.010 20 0 FGADRP C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)NCCCC[NH+]2CCCC2)C1 ZINC000246283209 497683938 /nfs/dbraw/zinc/68/39/38/497683938.db2.gz CHHSSNKOXHKRAH-VQTJNVASSA-N 2 0 364.578 3.158 20 0 FGADRP C[C@@H](NC(=O)N1CCC[N@H+](Cc2ccccc2)C[C@H]1C)C(C)(C)C[NH+](C)C ZINC000246303514 497690662 /nfs/dbraw/zinc/69/06/62/497690662.db2.gz LTQLEBMHOZIVOR-RTBURBONSA-N 2 0 374.573 3.269 20 0 FGADRP CC[N@H+](C)Cc1cccc(CNC(=O)N(C)[C@H]2CC[NH+](CC)C[C@@H]2C)c1 ZINC000246346791 497704151 /nfs/dbraw/zinc/70/41/51/497704151.db2.gz FGQCDWAIPHPQOU-PXNSSMCTSA-N 2 0 360.546 3.010 20 0 FGADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@@H](CO)Cc1ccc(OC(F)(F)F)cc1 ZINC000246381518 497715051 /nfs/dbraw/zinc/71/50/51/497715051.db2.gz KCDWMWOONJMWMO-AHEZYBDSSA-N 2 0 374.447 3.055 20 0 FGADRP O[C@@H]1CC[N@H+](Cc2ccccc2C[NH2+][C@H]2CCc3c2c(F)ccc3F)C1 ZINC000272734449 497715650 /nfs/dbraw/zinc/71/56/50/497715650.db2.gz BATGVPYQWLZJAN-UZLBHIALSA-N 2 0 358.432 3.309 20 0 FGADRP CC[NH+](CC)Cc1ccc(CNC(=O)N(C)[C@@H]2CC[N@H+](CC)C[C@@H]2C)cc1 ZINC000246454631 497740142 /nfs/dbraw/zinc/74/01/42/497740142.db2.gz ORVYGNRQLVUBOV-GHTZIAJQSA-N 2 0 374.573 3.400 20 0 FGADRP C[C@H](C(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1)[C@H]([NH3+])c1ccccc1 ZINC000263258960 497744112 /nfs/dbraw/zinc/74/41/12/497744112.db2.gz LUHCOIYBMZMBER-HDAAZOAOSA-N 2 0 357.542 3.436 20 0 FGADRP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@H]1CCCC[C@@]1(C)[NH3+] ZINC000263263929 497744853 /nfs/dbraw/zinc/74/48/53/497744853.db2.gz RHTMMHHYOYBKMY-KCZVDYSFSA-N 2 0 357.542 3.265 20 0 FGADRP COc1ccc([C@H](CNC(=O)[C@@H]2CCCC[C@]2(C)[NH3+])[NH+]2CCCCC2)cc1 ZINC000263293533 497751226 /nfs/dbraw/zinc/75/12/26/497751226.db2.gz VZPCPABEFGIYLO-ONTIZHBOSA-N 2 0 373.541 3.246 20 0 FGADRP CC1CC[NH+](Cc2ccccc2CNC(=O)[C@@H]2CCCC[C@@]2(C)[NH3+])CC1 ZINC000263290998 497751406 /nfs/dbraw/zinc/75/14/06/497751406.db2.gz VSMALPCPLAZPHK-RBBKRZOGSA-N 2 0 357.542 3.442 20 0 FGADRP CCCC[N@H+](C)CC1CC[NH+]([C@@H](C)C(=O)NC(=O)Nc2ccccc2)CC1 ZINC000194741058 497756137 /nfs/dbraw/zinc/75/61/37/497756137.db2.gz AKVRVWJSWYSOPV-KRWDZBQOSA-N 2 0 374.529 3.167 20 0 FGADRP C[NH+](C)CCNC(=O)c1cccc(C[NH2+][C@@H](c2cccnc2)C2CCC2)c1 ZINC000280447415 497756689 /nfs/dbraw/zinc/75/66/89/497756689.db2.gz DBVAEBLTHADZEF-OAQYLSRUSA-N 2 0 366.509 3.004 20 0 FGADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H](C)Cc1ccccc1C(F)(F)F ZINC000280450935 497758231 /nfs/dbraw/zinc/75/82/31/497758231.db2.gz DJECXENQLQKOAE-CVEARBPZSA-N 2 0 357.464 3.252 20 0 FGADRP CCCC[N@H+](CC)Cc1cccc(CNC(=O)NCc2nccn2C)c1 ZINC000268526220 497772465 /nfs/dbraw/zinc/77/24/65/497772465.db2.gz ZWWRWQNDKUGHSM-UHFFFAOYSA-N 2 0 357.502 3.042 20 0 FGADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)NCC2CC[NH+](CCC(C)C)CC2)[C@@H](C)C1 ZINC000246570915 497777698 /nfs/dbraw/zinc/77/76/98/497777698.db2.gz YOSSQVRUUARBKV-AZUAARDMSA-N 2 0 366.594 3.116 20 0 FGADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@H](c1ccccc1Cl)N1CCOCC1 ZINC000246902658 497819616 /nfs/dbraw/zinc/81/96/16/497819616.db2.gz FWQLTEHNJQYCSZ-YAJHFMINSA-N 2 0 365.949 3.032 20 0 FGADRP CC[C@@H]([NH2+]CC1(SC)CC[NH+](C)CC1)c1ccc2c(c1)OCCO2 ZINC000572291943 505935180 /nfs/dbraw/zinc/93/51/80/505935180.db2.gz JUWLWGYAYSCWMA-MRXNPFEDSA-N 2 0 350.528 3.326 20 0 FGADRP C[NH+]1CCN(c2cc(C[NH2+][C@@H]3CCCc4nc(Cl)ccc43)ccn2)CC1 ZINC000295920581 497853877 /nfs/dbraw/zinc/85/38/77/497853877.db2.gz JRLNBMPXCAAYSA-QGZVFWFLSA-N 2 0 371.916 3.049 20 0 FGADRP C[C@H]1C[C@@H](C[NH3+])CN1C(=O)NCc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000581240132 505941189 /nfs/dbraw/zinc/94/11/89/505941189.db2.gz VBTZUQIGVNZVHW-ROUUACIJSA-N 2 0 372.557 3.330 20 0 FGADRP Cn1ccnc1-c1cccc(C[NH2+]Cc2ccc3c(c2)CCC(=O)N3C)c1 ZINC000364369403 497924395 /nfs/dbraw/zinc/92/43/95/497924395.db2.gz OZWREIDABYIYNW-UHFFFAOYSA-N 2 0 360.461 3.286 20 0 FGADRP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccc(OCC4CC4)cc3)C2)CC1 ZINC000364471054 497973110 /nfs/dbraw/zinc/97/31/10/497973110.db2.gz FMIMHAWXDIQQCB-OAQYLSRUSA-N 2 0 357.542 3.076 20 0 FGADRP C[NH+](C)CCN1CCC([NH2+]C2CCC([N@H+](C)Cc3ccccc3)CC2)CC1 ZINC000281026146 497991919 /nfs/dbraw/zinc/99/19/19/497991919.db2.gz OTFVVJSEYITZJX-UHFFFAOYSA-N 3 0 372.601 3.045 20 0 FGADRP C[C@H](C[NH2+][C@H](C)Cc1cccc(C(F)(F)F)c1)CN1CC[NH+](C)CC1 ZINC000281088657 498015783 /nfs/dbraw/zinc/01/57/83/498015783.db2.gz AFHIMSJVTRWMEX-HZPDHXFCSA-N 2 0 357.464 3.110 20 0 FGADRP CC(C)(O)C(C)(C)[NH2+]Cc1ccc(F)c(C[NH2+]C(C)(C)C(C)(C)O)c1 ZINC000296394628 498026313 /nfs/dbraw/zinc/02/63/13/498026313.db2.gz VERHMZJGXYQJPA-UHFFFAOYSA-N 2 0 354.510 3.104 20 0 FGADRP O[C@H]1CC[N@H+](Cc2ccccc2C[NH2+][C@H]2CCCc3nc(Cl)ccc32)C1 ZINC000296487750 498063533 /nfs/dbraw/zinc/06/35/33/498063533.db2.gz PKSQSEMZLGSIRZ-HKUYNNGSSA-N 2 0 371.912 3.469 20 0 FGADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCCN(C(=O)Oc3ccccc3)CC2)C1 ZINC000289342334 498112196 /nfs/dbraw/zinc/11/21/96/498112196.db2.gz XCBIKTZSPBJKNV-RTBURBONSA-N 2 0 359.514 3.361 20 0 FGADRP Cn1ccnc1COc1ccc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)cc1 ZINC000285551495 498125304 /nfs/dbraw/zinc/12/53/04/498125304.db2.gz QUBKIOYOFNDLTN-DFNIBXOVSA-N 2 0 354.498 3.056 20 0 FGADRP COc1cccc(OC)c1OCCCC[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000289404907 498135732 /nfs/dbraw/zinc/13/57/32/498135732.db2.gz LIFKVKNJSGQODK-QGZVFWFLSA-N 2 0 350.503 3.279 20 0 FGADRP C[C@H]([NH2+]Cc1cccc(OCC[NH+](C)C)c1)c1ccccc1-n1ccnn1 ZINC000285640501 498156387 /nfs/dbraw/zinc/15/63/87/498156387.db2.gz LTNLBLKUXJACIY-KRWDZBQOSA-N 2 0 365.481 3.059 20 0 FGADRP O[C@H](C[NH+]1CCC(OCC[NH+]2CCCC2)CC1)c1cc2ccccc2o1 ZINC000292865174 498175269 /nfs/dbraw/zinc/17/52/69/498175269.db2.gz RWRYQXXWAKGLMG-LJQANCHMSA-N 2 0 358.482 3.043 20 0 FGADRP CCC[C@@H](Cc1ccccc1)[NH2+]C1C[C@H]2CC[C@@H](C1)N2CC(=O)N(C)C ZINC000285773462 498197140 /nfs/dbraw/zinc/19/71/40/498197140.db2.gz UEIIUUPCVVVCLL-UDEWTMQYSA-N 2 0 357.542 3.071 20 0 FGADRP C[N@@H+]1CCC[C@H](N2CCN(c3cc(C(C)(C)C)nc(C(C)(C)C)n3)CC2)C1 ZINC000301724172 498239104 /nfs/dbraw/zinc/23/91/04/498239104.db2.gz LKEFWSKAYARGMZ-KRWDZBQOSA-N 2 0 373.589 3.288 20 0 FGADRP [NH3+]C[C@H](Cc1ccccc1)[C@H]1CCCCN1C(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000365003286 498250600 /nfs/dbraw/zinc/25/06/00/498250600.db2.gz USKSBDIFCIVJRE-UPGLXXFKSA-N 2 0 369.553 3.106 20 0 FGADRP C[NH+]1CCC(C)(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)CC1 ZINC000301762369 498255513 /nfs/dbraw/zinc/25/55/13/498255513.db2.gz PUZBEQRQRWFSLW-ALOPSCKCSA-N 2 0 351.535 3.238 20 0 FGADRP CC(C)[NH+]1CCC(NC(=O)NC2CC[NH+](C3CCC(C)CC3)CC2)CC1 ZINC000360280525 498262986 /nfs/dbraw/zinc/26/29/86/498262986.db2.gz UHCIZRLKYDFGRM-UHFFFAOYSA-N 2 0 364.578 3.202 20 0 FGADRP C[N@@H+]1CCC[C@H](CC[NH2+]C[C@H](O)Cn2c3ccccc3c3ccccc32)C1 ZINC000575797677 506007192 /nfs/dbraw/zinc/00/71/92/506007192.db2.gz ZSVOIOAKFQYYKA-MOPGFXCFSA-N 2 0 365.521 3.477 20 0 FGADRP c1cn2c(n1)[C@@H](C[NH2+][C@H]1CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]31)CCC2 ZINC000360642861 498292793 /nfs/dbraw/zinc/29/27/93/498292793.db2.gz RDEKHFLLLKBTHE-MHTWAQMVSA-N 2 0 350.510 3.261 20 0 FGADRP COc1ccc([C@@H](C)[NH2+]Cc2ccnc(OCC[NH+](C)C)c2)c(C)c1OC ZINC000286147585 498305545 /nfs/dbraw/zinc/30/55/45/498305545.db2.gz ORLXAZQAWWLVJA-MRXNPFEDSA-N 2 0 373.497 3.198 20 0 FGADRP Cc1ncc2c(n1)CC[C@H]([NH2+][C@@H]1CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]31)C2 ZINC000360999104 498331497 /nfs/dbraw/zinc/33/14/97/498331497.db2.gz MSRCBYQLDXEKIM-VXPBHUBDSA-N 2 0 362.521 3.143 20 0 FGADRP Cc1ncc2c(n1)CC[C@H]([NH2+][C@@H]1CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]31)C2 ZINC000360999105 498331664 /nfs/dbraw/zinc/33/16/64/498331664.db2.gz MSRCBYQLDXEKIM-XHRGMSINSA-N 2 0 362.521 3.143 20 0 FGADRP O=C(NCCC[NH+]1CCCC1)C1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000289875026 498332572 /nfs/dbraw/zinc/33/25/72/498332572.db2.gz RMXBPEIYJPVOHR-UXBLZVDNSA-N 2 0 355.526 3.014 20 0 FGADRP CCOc1ccc(C[N@H+](CCCn2ccnc2)Cc2cnccn2)cc1 ZINC000569807069 506021198 /nfs/dbraw/zinc/02/11/98/506021198.db2.gz DGMNJYKFYAOZFM-UHFFFAOYSA-N 2 0 351.454 3.164 20 0 FGADRP CCC1(C[NH2+]CC2(OC)CCOCC2)CC[NH+](Cc2ccccc2)CC1 ZINC000365232826 498363070 /nfs/dbraw/zinc/36/30/70/498363070.db2.gz RYJCKMMIQVOHQB-UHFFFAOYSA-N 2 0 360.542 3.464 20 0 FGADRP CC[N@H+](C)Cc1cccc(CNC(=O)Nc2ccc3c(c2F)CC[NH2+]C3)c1 ZINC000575895873 506027911 /nfs/dbraw/zinc/02/79/11/506027911.db2.gz OFHRCMXTLLUTCX-UHFFFAOYSA-N 2 0 370.472 3.245 20 0 FGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@@H](CCCOC)c2ccc(F)cc2)CC1 ZINC000282098021 498382934 /nfs/dbraw/zinc/38/29/34/498382934.db2.gz ZCXQFKGWLDPGLQ-RXVVDRJESA-N 2 0 365.537 3.157 20 0 FGADRP C[C@H](NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)[C@@H](c1ccccc1)[NH+](C)C ZINC000578806399 506025241 /nfs/dbraw/zinc/02/52/41/506025241.db2.gz OPXSPOLXWYGATM-DSKINZAPSA-N 2 0 357.542 3.449 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1CCC(=O)N(C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000575885420 506026041 /nfs/dbraw/zinc/02/60/41/506026041.db2.gz NRZDQFBKKIODQE-CTNGQTDRSA-N 2 0 357.542 3.231 20 0 FGADRP C[NH+](C)CCCOc1cnccc1C[NH2+]C1CCN(c2ccccc2)CC1 ZINC000290156976 498445988 /nfs/dbraw/zinc/44/59/88/498445988.db2.gz DAGBJOXUKFPIBM-UHFFFAOYSA-N 2 0 368.525 3.171 20 0 FGADRP COc1cccc2cc([C@H](C)[NH2+][C@@H]3CCN(C4CC[NH+](C)CC4)C3)oc21 ZINC000362032475 498455993 /nfs/dbraw/zinc/45/59/93/498455993.db2.gz MPFYADRTARSRFD-DOTOQJQBSA-N 2 0 357.498 3.261 20 0 FGADRP Cn1cc(-c2ccc(C[NH2+]C3CC[NH+]([C@@H]4CCCC[C@@H]4O)CC3)s2)cn1 ZINC000282359665 498480805 /nfs/dbraw/zinc/48/08/05/498480805.db2.gz XINMYBYQIWKGIZ-MOPGFXCFSA-N 2 0 374.554 3.006 20 0 FGADRP C[NH+](C)CCCOc1cnccc1CN[C@@H](c1ncc[nH]1)c1ccccc1 ZINC000290334489 498512778 /nfs/dbraw/zinc/51/27/78/498512778.db2.gz PDLUBQKGDDACPF-HXUWFJFHSA-N 2 0 365.481 3.014 20 0 FGADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+]C[C@H](O)COc2ccccc2C(F)(F)F)C1 ZINC000575981218 506048746 /nfs/dbraw/zinc/04/87/46/506048746.db2.gz BVKYCKIFHGYPNQ-CVEARBPZSA-N 2 0 374.447 3.155 20 0 FGADRP NC(=O)[C@@H](N[C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)c1ccc(F)cc1 ZINC000569926440 506049206 /nfs/dbraw/zinc/04/92/06/506049206.db2.gz HBKFKKWKCYYPOA-UXHICEINSA-N 2 0 367.468 3.139 20 0 FGADRP CCC1(CNC(=O)N[C@H]2CC[NH2+][C@H](C)C2)CC[NH+](Cc2ccccc2)CC1 ZINC000581716047 506052001 /nfs/dbraw/zinc/05/20/01/506052001.db2.gz YFBWDMWGSWLGQB-QUCCMNQESA-N 2 0 372.557 3.119 20 0 FGADRP COc1ccc2c(c1)[C@H]([NH2+]Cc1ccncc1OCCC[NH+](C)C)CC2 ZINC000290473781 498566602 /nfs/dbraw/zinc/56/66/02/498566602.db2.gz XCJIOVLZTTUNHW-HXUWFJFHSA-N 2 0 355.482 3.198 20 0 FGADRP CCC(CC)[C@@H]([NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1)c1ccccc1 ZINC000581743188 506058010 /nfs/dbraw/zinc/05/80/10/506058010.db2.gz JIOTUQGNKAAFKD-JOCHJYFZSA-N 2 0 357.542 3.497 20 0 FGADRP Cn1ccnc1[C@H]1N(C(=O)Nc2ccccc2CC[NH+](C)C)CC1(C)C ZINC000297936416 498614492 /nfs/dbraw/zinc/61/44/92/498614492.db2.gz VZIJJAWHJSTYBI-QGZVFWFLSA-N 2 0 355.486 3.139 20 0 FGADRP CCOc1cc(C[N@H+](C)CC2CC[NH+](C)CC2)cc(Br)c1O ZINC000297943950 498617552 /nfs/dbraw/zinc/61/75/52/498617552.db2.gz VKYRDCUYSKTZJZ-UHFFFAOYSA-N 2 0 371.319 3.327 20 0 FGADRP C[C@H]1C[C@@H](NC(=O)N2CCC(C[NH+](C)C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000363041679 498618750 /nfs/dbraw/zinc/61/87/50/498618750.db2.gz WXZDEXRNSPRJIU-RXVVDRJESA-N 2 0 372.557 3.023 20 0 FGADRP C[C@@H]1CCC[C@@](CNC(=O)NCCCC[N@@H+]2CCCC[C@H]2C)([NH+](C)C)C1 ZINC000303027044 498642266 /nfs/dbraw/zinc/64/22/66/498642266.db2.gz SMBDCPJETQYRGQ-SFHLNBCPSA-N 2 0 366.594 3.451 20 0 FGADRP C[C@H](CNC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1)C[NH+]1CCCCC1 ZINC000303064435 498644751 /nfs/dbraw/zinc/64/47/51/498644751.db2.gz YKNSLHFGPCKUPE-CTNGQTDRSA-N 2 0 357.542 3.137 20 0 FGADRP CC(C)c1ccccc1NC(=O)[C@H](C)[NH+]1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000572859955 506070243 /nfs/dbraw/zinc/07/02/43/506070243.db2.gz VWIBJPAMVWSXTN-NBHGPNQESA-N 2 0 373.541 3.355 20 0 FGADRP C[C@@H]1CN(c2ccccc2C[N@@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)CCO1 ZINC000298130660 498673800 /nfs/dbraw/zinc/67/38/00/498673800.db2.gz PZNSEVRUTUIQSQ-UYAOXDASSA-N 2 0 357.542 3.075 20 0 FGADRP C[NH+](C)C[C@H](NC(=O)c1cccc(C[NH+]2CCCC2)c1)c1ccc(F)cc1 ZINC000581845234 506072806 /nfs/dbraw/zinc/07/28/06/506072806.db2.gz QHMYEPULVXSRHO-NRFANRHFSA-N 2 0 369.484 3.454 20 0 FGADRP C[C@@H](C(=O)N1c2ccccc2CC[C@H]1C)N1CC[C@@H](Oc2ccncc2)C1 ZINC000576132829 506084092 /nfs/dbraw/zinc/08/40/92/506084092.db2.gz HTQFKFAHAODJOV-FUHIMQAGSA-N 2 0 365.477 3.291 20 0 FGADRP Nc1ncnc(N2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)c1Cl ZINC000310968184 498748220 /nfs/dbraw/zinc/74/82/20/498748220.db2.gz HQMHPIWSZXOTJX-UHFFFAOYSA-N 2 0 357.889 3.205 20 0 FGADRP CSc1ccc([C@@H](CNC(=O)C2CC[NH+](C3CC3)CC2)[NH+](C)C)cc1 ZINC000294642654 498759811 /nfs/dbraw/zinc/75/98/11/498759811.db2.gz DAXIXIDPHNTCAU-LJQANCHMSA-N 2 0 361.555 3.002 20 0 FGADRP Cc1nn(C)c2sc([C@@H](C)[NH2+]C3CC[NH+](C[C@@H]4CCOC4)CC3)cc12 ZINC000287587932 498804910 /nfs/dbraw/zinc/80/49/10/498804910.db2.gz HVUAEIINSVNADU-CABCVRRESA-N 2 0 362.543 3.095 20 0 FGADRP Cc1cccc(C(C)C)c1NC(=O)CN1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000363413897 498806979 /nfs/dbraw/zinc/80/69/79/498806979.db2.gz IJPSMMHGPHMGIJ-RLLQIKCJSA-N 2 0 355.526 3.473 20 0 FGADRP CCc1nc2cc(CNC(=O)N(C)CC[N@H+](C)C3CC3)ccc2n1C1CC1 ZINC000572970934 506092996 /nfs/dbraw/zinc/09/29/96/506092996.db2.gz YVAMTDTWHDCNGS-UHFFFAOYSA-N 2 0 369.513 3.169 20 0 FGADRP C[C@@H]1C[C@@H](NC(=O)[C@@H]2CCn3c(cnc3C3CCCCC3)C2)CC[N@@H+]1C ZINC000332831769 498807851 /nfs/dbraw/zinc/80/78/51/498807851.db2.gz UAKDNQHDWLFDHY-NXHRZFHOSA-N 2 0 358.530 3.092 20 0 FGADRP Cc1nn(C)c(N2CCC[N@H+](C)CC2)c1C[NH2+][C@H](C)c1ccccc1C ZINC000366230272 498833384 /nfs/dbraw/zinc/83/33/84/498833384.db2.gz CPZMDESOMPKORN-QGZVFWFLSA-N 2 0 355.530 3.030 20 0 FGADRP C[N@@H+]1CC[C@H](CNC(=O)[C@@H]([NH3+])Cc2ccccc2)[C@@H]1c1cccc(Cl)c1 ZINC000366326770 498876372 /nfs/dbraw/zinc/87/63/72/498876372.db2.gz FTOLKAHZQXASPJ-HOJAQTOUSA-N 2 0 371.912 3.019 20 0 FGADRP FC(F)Cn1cc(C[NH2+]CC2CC[NH+](CCc3ccccc3)CC2)cn1 ZINC000366356032 498889398 /nfs/dbraw/zinc/88/93/98/498889398.db2.gz OQNPSQNLYDMFLT-UHFFFAOYSA-N 2 0 362.468 3.193 20 0 FGADRP COC[C@@]1(C[NH2+]C2CC[NH+](C3CCCC3)CC2)OCCc2ccccc21 ZINC000579168463 506108519 /nfs/dbraw/zinc/10/85/19/506108519.db2.gz LMQWFWHEFJQJQI-JOCHJYFZSA-N 2 0 358.526 3.098 20 0 FGADRP CC(C)[C@@H]1OCCC[C@@H]1Nc1cc(N2CC[C@@]3(C2)CCC[N@H+](C)C3)ncn1 ZINC000328726397 498916653 /nfs/dbraw/zinc/91/66/53/498916653.db2.gz ZONQGKRQKLGPKI-YYWHXJBOSA-N 2 0 373.545 3.014 20 0 FGADRP CC(C)[C@@H]1OCCC[C@@H]1Nc1cc(N2CC[C@]3(C2)CCC[N@H+](C)C3)ncn1 ZINC000328726393 498917003 /nfs/dbraw/zinc/91/70/03/498917003.db2.gz ZONQGKRQKLGPKI-DZFGPLHGSA-N 2 0 373.545 3.014 20 0 FGADRP [NH3+]CCC1CC[NH+](CCC(=O)N[C@H](c2cccs2)c2ccccc2)CC1 ZINC000573098389 506118698 /nfs/dbraw/zinc/11/86/98/506118698.db2.gz WQEFMNHUQCZRQB-NRFANRHFSA-N 2 0 371.550 3.405 20 0 FGADRP CN1CCC([NH+]2CCC(CC[NH2+]CC3=Cc4ccccc4OC3)CC2)CC1 ZINC000363661098 498929731 /nfs/dbraw/zinc/92/97/31/498929731.db2.gz IIDLEGDCWDSLNJ-UHFFFAOYSA-N 2 0 369.553 3.248 20 0 FGADRP C[C@H](NC(=O)NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1)[C@H]1CCC[NH2+]C1 ZINC000576253433 506113921 /nfs/dbraw/zinc/11/39/21/506113921.db2.gz GKBRBYHFSMPKNN-WFXMLNOXSA-N 2 0 372.557 3.248 20 0 FGADRP CC(C)c1ccc(C(=O)NCCC2CC[NH+](C3CCN(C)CC3)CC2)cn1 ZINC000363721955 498959801 /nfs/dbraw/zinc/95/98/01/498959801.db2.gz MHLXPMNMYCVKSM-UHFFFAOYSA-N 2 0 372.557 3.131 20 0 FGADRP COc1cccc(C[C@H](C)[NH2+]C[C@@H](O)Cn2cnc3cc(C)c(C)cc32)c1 ZINC000576271799 506118228 /nfs/dbraw/zinc/11/82/28/506118228.db2.gz JYRCMWGMSWPMHT-PKOBYXMFSA-N 2 0 367.493 3.243 20 0 FGADRP C[NH+]1CCC2(CC1)C[C@@H]([NH2+]Cc1cnn3ccccc13)c1ccccc1O2 ZINC000366532550 498968133 /nfs/dbraw/zinc/96/81/33/498968133.db2.gz PPALNIQRCNZMNU-LJQANCHMSA-N 2 0 362.477 3.412 20 0 FGADRP CC[C@@H](C)[N@H+](C)CCNC(=O)N1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000576301533 506125215 /nfs/dbraw/zinc/12/52/15/506125215.db2.gz ZXSRUJIXQMPYMF-KNQAVFIVSA-N 2 0 372.557 3.024 20 0 FGADRP CN1CC[NH+](CC2(C)CC[NH+](Cc3nc4ccccc4s3)CC2)CC1 ZINC000363806997 499002918 /nfs/dbraw/zinc/00/29/18/499002918.db2.gz SMWKEGUZZUGIBF-UHFFFAOYSA-N 2 0 358.555 3.146 20 0 FGADRP C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000288360354 499003300 /nfs/dbraw/zinc/00/33/00/499003300.db2.gz KPQWDZSCMJMAPV-FPOVZHCZSA-N 2 0 369.553 3.374 20 0 FGADRP CC(C)c1nccn1Cc1cccc(NC(=O)NC[C@@H]2CCC[N@@H+]2C)c1 ZINC000299242050 499003586 /nfs/dbraw/zinc/00/35/86/499003586.db2.gz KKFLDWIZBCOENJ-SFHVURJKSA-N 2 0 355.486 3.271 20 0 FGADRP CN(c1ccc(NC(=O)c2ccc3c[nH+]cn3c2)cc1)C1CC[NH+](C)CC1 ZINC000283889158 499007477 /nfs/dbraw/zinc/00/74/77/499007477.db2.gz HVQHFGDMFZWLHS-UHFFFAOYSA-N 2 0 363.465 3.117 20 0 FGADRP O=C(NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccc2c[nH+]cn2c1 ZINC000283892524 499007958 /nfs/dbraw/zinc/00/79/58/499007958.db2.gz IKOGRQNEKCVHDK-IHWFROFDSA-N 2 0 360.461 3.260 20 0 FGADRP CC[NH+](CC)CCOc1ccccc1NC(=O)c1ccc2c[nH+]cn2c1 ZINC000283907823 499010595 /nfs/dbraw/zinc/01/05/95/499010595.db2.gz IOUKLHHTKOLEBD-UHFFFAOYSA-N 2 0 352.438 3.307 20 0 FGADRP CC(C)(O)c1ccc(C[NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)cc1 ZINC000295439352 499018247 /nfs/dbraw/zinc/01/82/47/499018247.db2.gz OSACSGLLFQWMKO-UHFFFAOYSA-N 2 0 368.521 3.161 20 0 FGADRP COc1cc2[nH+]ccc(N3C[C@@H]4CC[C@H]([NH3+])[C@@H]4C3)c2cc1Br ZINC000333554789 499030290 /nfs/dbraw/zinc/03/02/90/499030290.db2.gz KATGWQDRZRWMDC-SUHUHFCYSA-N 2 0 362.271 3.179 20 0 FGADRP C[NH+](C)C1CCN(CC[NH2+]C2CCC([N@H+](C)Cc3ccccc3)CC2)CC1 ZINC000284062077 499040048 /nfs/dbraw/zinc/04/00/48/499040048.db2.gz KVJVUBQOGHSGFE-UHFFFAOYSA-N 3 0 372.601 3.045 20 0 FGADRP Cn1nccc1[C@@H]1CCC[C@@H]([NH2+]Cc2cccc(OCC[NH+](C)C)c2)C1 ZINC000366736232 499054556 /nfs/dbraw/zinc/05/45/56/499054556.db2.gz FTXWCEFFCIDVIQ-RTBURBONSA-N 2 0 356.514 3.177 20 0 FGADRP c1ccc(C[N@@H+]2CCCO[C@H](CN3CCC[C@@H]([NH+]4CCCC4)CC3)C2)cc1 ZINC000284196570 499066698 /nfs/dbraw/zinc/06/66/98/499066698.db2.gz SESIWDUNDRESSO-DHIUTWEWSA-N 2 0 371.569 3.228 20 0 FGADRP C[NH+]1CCC(Oc2ccc(C[NH2+][C@@H]3[C@H]4CCO[C@H]4C34CCC4)cc2)CC1 ZINC000284351992 499093608 /nfs/dbraw/zinc/09/36/08/499093608.db2.gz MIDVCUWNVNJQJQ-NJDAHSKKSA-N 2 0 356.510 3.207 20 0 FGADRP Cc1ccc(NC(=[NH2+])NCCC2CC[NH+](C3CCN(C)CC3)CC2)cc1C ZINC000364039547 499095405 /nfs/dbraw/zinc/09/54/05/499095405.db2.gz RPJJJNALHIJJTM-UHFFFAOYSA-N 2 0 371.573 3.436 20 0 FGADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+][C@H]2CCC(=O)N[C@@H]2C2CC2)CC1 ZINC000366943111 499119696 /nfs/dbraw/zinc/11/96/96/499119696.db2.gz JMBMRURMROHAEI-PEVXEQIPSA-N 2 0 355.526 3.076 20 0 FGADRP CC(=O)N1CC[C@@H]([NH2+]CCC[N@H+]2C[C@H](C)C[C@H](C)C2)c2ccccc2C1 ZINC000369839397 499136764 /nfs/dbraw/zinc/13/67/64/499136764.db2.gz FBSSABCQFWJRIN-KGVIQGDOSA-N 2 0 357.542 3.438 20 0 FGADRP C[C@H](C(=O)Nc1c(F)cccc1F)N1CCCC2(CC[NH+](C)CC2)C1 ZINC000367201261 499160530 /nfs/dbraw/zinc/16/05/30/499160530.db2.gz RWEKGLMYVWNJJM-CQSZACIVSA-N 2 0 351.441 3.100 20 0 FGADRP CC[C@@H]([NH2+]Cc1c(C)nn(C)c1N1CCC[N@H+](C)CC1)c1cccc(F)c1 ZINC000372685350 499160567 /nfs/dbraw/zinc/16/05/67/499160567.db2.gz TTWZQWJMXNKUKQ-HXUWFJFHSA-N 2 0 373.520 3.250 20 0 FGADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CC[C@](F)(c3ccc(F)cc3)C2)CC1 ZINC000370004927 499164959 /nfs/dbraw/zinc/16/49/59/499164959.db2.gz FGDGCJNSJXCXKO-HXUWFJFHSA-N 2 0 351.485 3.112 20 0 FGADRP C[C@@H](C[NH2+][C@H]1CCCOc2c3ccccc3ccc21)N1CC[NH+](C)CC1 ZINC000372771137 499173284 /nfs/dbraw/zinc/17/32/84/499173284.db2.gz XFDLCDSUTBOSCH-UWJYYQICSA-N 2 0 353.510 3.279 20 0 FGADRP C[C@@H]([NH2+][C@H]1CCN(CCN2CCOCC2)C1)c1ccc(Cl)cc1Cl ZINC000372779999 499174359 /nfs/dbraw/zinc/17/43/59/499174359.db2.gz IZYVSBGWHKNZNQ-ZBFHGGJFSA-N 2 0 372.340 3.051 20 0 FGADRP Cc1ncc([C@H](C)[NH2+]CCC2CC[NH+](C3CCN(C)CC3)CC2)s1 ZINC000372836016 499182366 /nfs/dbraw/zinc/18/23/66/499182366.db2.gz DYFSUQGMTTUPAD-HNNXBMFYSA-N 2 0 350.576 3.298 20 0 FGADRP CC1CC[NH+](CC2CC[NH+](Cc3ccc(-n4ccnc4)nc3)CC2)CC1 ZINC000370207776 499197522 /nfs/dbraw/zinc/19/75/22/499197522.db2.gz XBLUZRWQOURUAM-UHFFFAOYSA-N 2 0 353.514 3.211 20 0 FGADRP CC(C)(C)OC(=O)NCC1CCC([NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000367522311 499208710 /nfs/dbraw/zinc/20/87/10/499208710.db2.gz DSUPHQRHODLIJH-FOIPXRHGSA-N 2 0 351.535 3.286 20 0 FGADRP Cc1cc2cc(NC(=O)N3CCN(C4CC[NH+](C)CC4)[C@@H](C)C3)ccc2[nH]1 ZINC000367546237 499210948 /nfs/dbraw/zinc/21/09/48/499210948.db2.gz FGGJXZXLHXACSK-INIZCTEOSA-N 2 0 369.513 3.109 20 0 FGADRP C[N@@H+]1CC[C@H]2CCN(C(=O)Nc3ccc(CC[NH+]4CCCCC4)cc3)C[C@@H]21 ZINC000367592826 499215826 /nfs/dbraw/zinc/21/58/26/499215826.db2.gz GWDGOQHNUYKWSF-FPOVZHCZSA-N 2 0 370.541 3.273 20 0 FGADRP Cn1cc(N2CC[C@H]([NH2+]C3CCC([N@H+](C)Cc4ccccc4)CC3)C2)cn1 ZINC000367596254 499216121 /nfs/dbraw/zinc/21/61/21/499216121.db2.gz GGHAFLIXAONEKN-KBWCOIMZSA-N 2 0 367.541 3.032 20 0 FGADRP Cc1ccc(-c2cc(C[N@@H+](C)[C@H]3CCN(C4CC[NH+](C)CC4)C3)on2)cc1 ZINC000367680390 499224159 /nfs/dbraw/zinc/22/41/59/499224159.db2.gz ARXSLYDQEVVZAG-FQEVSTJZSA-N 2 0 368.525 3.250 20 0 FGADRP C[C@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccc(OC(F)(F)F)cc1 ZINC000370638278 499238552 /nfs/dbraw/zinc/23/85/52/499238552.db2.gz XFBSRQBWVQFGGK-HOCLYGCPSA-N 2 0 371.447 3.404 20 0 FGADRP Cc1cn2c(n1)[C@@H](C[NH2+]Cc1cn(-c3ccc(F)cc3Cl)nn1)CCC2 ZINC000370676178 499243156 /nfs/dbraw/zinc/24/31/56/499243156.db2.gz IUINJEATDDVLLZ-CYBMUJFWSA-N 2 0 374.851 3.232 20 0 FGADRP CC(C)[C@]1(CO)CC[NH+](CCCCCC[N@H+]2CC[C@@](CO)(C(C)C)C2)C1 ZINC000368070600 499261352 /nfs/dbraw/zinc/26/13/52/499261352.db2.gz CWPXRTPQANURFH-FGZHOGPDSA-N 2 0 368.606 3.228 20 0 FGADRP Cn1cc2c(n1)CCC[C@@H]2[NH2+][C@@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21 ZINC000368184738 499272510 /nfs/dbraw/zinc/27/25/10/499272510.db2.gz LLDMRHZKILGETD-AZUAARDMSA-N 2 0 366.509 3.375 20 0 FGADRP Cc1nc(CN(C)CCC2CC[NH+](C3CCN(C)CC3)CC2)cs1 ZINC000371158902 499294477 /nfs/dbraw/zinc/29/44/77/499294477.db2.gz XQQKATNGQZCQJQ-UHFFFAOYSA-N 2 0 350.576 3.080 20 0 FGADRP CC(=O)N1CC[C@H]([NH2+]C[C@H]2CCC[N@@H+](C(C)C)C2)c2ccc(F)cc2C1 ZINC000368424830 499294828 /nfs/dbraw/zinc/29/48/28/499294828.db2.gz ALLAMIWCNAYNIV-UTKZUKDTSA-N 2 0 361.505 3.329 20 0 FGADRP C[NH+](C)Cc1c2ccccc2oc1C(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000371230375 499300451 /nfs/dbraw/zinc/30/04/51/499300451.db2.gz LVEMRSIVDKPLSR-CRAIPNDOSA-N 2 0 355.482 3.099 20 0 FGADRP C[C@@]1(CN[C@H](c2ncc[nH]2)c2ccncc2)CC[N@H+](Cc2ccccc2)C1 ZINC000368529490 499304834 /nfs/dbraw/zinc/30/48/34/499304834.db2.gz BTTBGNQKMZTVAZ-UNMCSNQZSA-N 2 0 361.493 3.396 20 0 FGADRP Brc1cnn(CCC[NH2+]C2CC[NH+](C3CCCC3)CC2)c1 ZINC000368569664 499308503 /nfs/dbraw/zinc/30/85/03/499308503.db2.gz XEFIAQMADPVBOR-UHFFFAOYSA-N 2 0 355.324 3.032 20 0 FGADRP CN(C(=O)CC[NH+]1CCC2(C[C@@H]2C[N@H+](C)C2CC2)CC1)c1ccccc1 ZINC000371320321 499309630 /nfs/dbraw/zinc/30/96/30/499309630.db2.gz BMVKEEDACIALOI-GOSISDBHSA-N 2 0 355.526 3.236 20 0 FGADRP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](Cc3c(F)cccc3N3CCCC3)C2)CC1 ZINC000371332169 499311487 /nfs/dbraw/zinc/31/14/87/499311487.db2.gz NLROSYGAASTDBI-LJQANCHMSA-N 2 0 374.548 3.026 20 0 FGADRP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](Cc3cccc(OC(F)(F)F)c3)C2)CC1 ZINC000371332098 499311501 /nfs/dbraw/zinc/31/15/01/499311501.db2.gz NCRKKNNYLRYIFR-QGZVFWFLSA-N 2 0 371.447 3.186 20 0 FGADRP COc1ccc2oc(C[N@@H+]3CC[C@H](N4CC[NH+](C(C)C)CC4)C3)cc2c1 ZINC000371334716 499311915 /nfs/dbraw/zinc/31/19/15/499311915.db2.gz ZAPRSUDUGOEJOF-SFHVURJKSA-N 2 0 357.498 3.042 20 0 FGADRP O=C(NCCC[NH+]1CCCCC1)[C@@H]1CCn2c(cnc2C2CCCCC2)C1 ZINC000368600188 499312416 /nfs/dbraw/zinc/31/24/16/499312416.db2.gz GGVPKHUMTFFINS-LJQANCHMSA-N 2 0 372.557 3.485 20 0 FGADRP C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000368609005 499313194 /nfs/dbraw/zinc/31/31/94/499313194.db2.gz UNECOVSMSWGPFG-UYTYNIKBSA-N 2 0 351.535 3.094 20 0 FGADRP CC[N@@H+]1CCC[C@H](NC(=O)C2CC[NH+](Cc3ccc(Cl)s3)CC2)C1 ZINC000368783823 499332260 /nfs/dbraw/zinc/33/22/60/499332260.db2.gz BNFNFGAZIVBUOB-HNNXBMFYSA-N 2 0 369.962 3.214 20 0 FGADRP Cc1c[nH+]ccc1N1CCC(C(=O)Nc2cccc(C[NH+](C)C)c2)CC1 ZINC000371819826 499368629 /nfs/dbraw/zinc/36/86/29/499368629.db2.gz ZSKFQDKFBKHHRQ-UHFFFAOYSA-N 2 0 352.482 3.307 20 0 FGADRP Cc1ncc(CN2CC[C@@H]([NH2+]Cc3cnc4cccc(C)n34)[C@@H](C)C2)s1 ZINC000371884937 499375351 /nfs/dbraw/zinc/37/53/51/499375351.db2.gz WXEPHRVLZUOOOR-IFXJQAMLSA-N 2 0 369.538 3.408 20 0 FGADRP CC(C)[NH+]1CCC([NH2+]C2CCN(C(=O)c3ccc(Cl)cc3)CC2)CC1 ZINC000373156140 499454244 /nfs/dbraw/zinc/45/42/44/499454244.db2.gz VRSJAQXFACMVJC-UHFFFAOYSA-N 2 0 363.933 3.407 20 0 FGADRP C[C@H]([NH2+][C@@H]1CCN(c2ncccc2F)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000373448429 499470463 /nfs/dbraw/zinc/47/04/63/499470463.db2.gz LEUAFKXRJNTWNL-DFQSSKMNSA-N 2 0 368.500 3.300 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)c1cccn1C1CC[NH2+]CC1)c1ccsc1 ZINC000378207997 499490356 /nfs/dbraw/zinc/49/03/56/499490356.db2.gz DZZYTIYZTVJXTI-LJQANCHMSA-N 2 0 374.554 3.287 20 0 FGADRP C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@@H]1[NH2+]CCc1nc2c(s1)CCCC2 ZINC000378403547 499512853 /nfs/dbraw/zinc/51/28/53/499512853.db2.gz NKCHPAKIXJIKES-ZACQAIPSSA-N 2 0 363.571 3.043 20 0 FGADRP C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@H]1[NH2+]CCCc1ccc2c(c1)CCO2 ZINC000375628193 499538998 /nfs/dbraw/zinc/53/89/98/499538998.db2.gz MZVMOVHVRGAHKY-DUXKGJEZSA-N 2 0 358.526 3.033 20 0 FGADRP COc1cc(C)nc(CN2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC000389007188 499551856 /nfs/dbraw/zinc/55/18/56/499551856.db2.gz VZLBREKRXCXQEN-WOJBJXKFSA-N 2 0 351.494 3.353 20 0 FGADRP C[C@H]([NH2+]Cc1ccc2c(c1)OCCO2)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000389105744 499552198 /nfs/dbraw/zinc/55/21/98/499552198.db2.gz PBMVOCMEGIYPLU-PXNSSMCTSA-N 2 0 352.478 3.458 20 0 FGADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+]CCCOC[C@H]2CCOC2)CC1 ZINC000375855608 499562573 /nfs/dbraw/zinc/56/25/73/499562573.db2.gz BCUPICKFLGFLBG-ITAUSPCMSA-N 2 0 360.542 3.462 20 0 FGADRP COc1ccc(C[C@@H](C)[NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000397559784 499564215 /nfs/dbraw/zinc/56/42/15/499564215.db2.gz QGCPKWUIAXYSHL-LJQANCHMSA-N 2 0 368.521 3.243 20 0 FGADRP COc1ccc2c(c1)[C@H]([NH2+]CC1(O)CC[NH+](Cc3ccccc3)CC1)CC2 ZINC000397609260 499564699 /nfs/dbraw/zinc/56/46/99/499564699.db2.gz QQCHWRZOTHLQTO-JOCHJYFZSA-N 2 0 366.505 3.299 20 0 FGADRP Cc1cccc(OC[C@H](O)C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000397960963 499565608 /nfs/dbraw/zinc/56/56/08/499565608.db2.gz DZJHZXCAJIWAQY-LSWJPFSZSA-N 2 0 368.521 3.235 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)[C@H]([NH3+])CC1CCCCC1 ZINC000398058006 499566381 /nfs/dbraw/zinc/56/63/81/499566381.db2.gz LSIGCNMFHVKYLH-UIFIKXQLSA-N 2 0 357.542 3.311 20 0 FGADRP c1c[nH]c([C@@H](NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)c2ccncc2)n1 ZINC000376417083 499607242 /nfs/dbraw/zinc/60/72/42/499607242.db2.gz WPTRJXIGYAKWDB-CTNGQTDRSA-N 2 0 361.493 3.396 20 0 FGADRP CN1CC[C@@H](C[N@H+](C)C[C@H](O)Cc2cccc(Cl)c2)[C@@H]1c1cccnc1 ZINC000376563725 499618865 /nfs/dbraw/zinc/61/88/65/499618865.db2.gz XSRGJEBFENDDHV-TYPHKJRUSA-N 2 0 373.928 3.263 20 0 FGADRP O=C(NC1CC([NH+]2CCCCC2)C1)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000376567590 499619365 /nfs/dbraw/zinc/61/93/65/499619365.db2.gz XOYKOMFTJQZTFG-PELRDEGISA-N 2 0 373.516 3.171 20 0 FGADRP CC(C)[NH+]1CCN(C(=O)NCc2ccc(C[NH+]3CCC(C)CC3)cc2)CC1 ZINC000410336308 499655723 /nfs/dbraw/zinc/65/57/23/499655723.db2.gz BHDIOVZVBNRVFT-UHFFFAOYSA-N 2 0 372.557 3.154 20 0 FGADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N1CCC(C[NH+](C)C)CC1 ZINC000410355421 499657261 /nfs/dbraw/zinc/65/72/61/499657261.db2.gz QYJHJIZHVKQANJ-UHFFFAOYSA-N 2 0 360.546 3.010 20 0 FGADRP Fc1cc(-c2ncco2)ccc1C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000411175496 499706918 /nfs/dbraw/zinc/70/69/18/499706918.db2.gz UMJJAJUJPUMYJS-UHFFFAOYSA-N 2 0 359.445 3.025 20 0 FGADRP C[C@@H](c1ccc2c(c1)OCCCO2)[N@H+](C)C1CC[NH+](C2CCOCC2)CC1 ZINC000377648087 499715237 /nfs/dbraw/zinc/71/52/37/499715237.db2.gz KSZPUBDJWWJMRE-KRWDZBQOSA-N 2 0 374.525 3.484 20 0 FGADRP CC(C)[C@H]([NH2+]CC(=O)NC1CC[NH+](C(C)C)CC1)c1ccc(F)cc1F ZINC000411473624 499745288 /nfs/dbraw/zinc/74/52/88/499745288.db2.gz KRJYXDGXMFSKMX-FQEVSTJZSA-N 2 0 367.484 3.241 20 0 FGADRP CCOC(=O)[C@@H](NCc1ccc(C[NH+]2CCCCC2)cc1)[C@H]1CCCOC1 ZINC000411506740 499749049 /nfs/dbraw/zinc/74/90/49/499749049.db2.gz PBCVQYWAAUDJDW-SFTDATJTSA-N 2 0 374.525 3.120 20 0 FGADRP C[NH+](C)CCCOc1cnccc1C[NH2+][C@@H]1C[C@@H](OC(C)(C)C)C1(C)C ZINC000414168866 499765540 /nfs/dbraw/zinc/76/55/40/499765540.db2.gz VAJQIEIYROLPOE-RTBURBONSA-N 2 0 363.546 3.484 20 0 FGADRP CC(C)[C@H]1C[C@H]([NH2+]CC2(N3CCOCC3)CC[NH+](C)CC2)c2ccccc21 ZINC000414184309 499766651 /nfs/dbraw/zinc/76/66/51/499766651.db2.gz FPTNOTRHNVZPPX-YADHBBJMSA-N 2 0 371.569 3.257 20 0 FGADRP CCC[C@H](CCc1ccccc1)[NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000414203345 499768055 /nfs/dbraw/zinc/76/80/55/499768055.db2.gz VEQISFZOUQDBJC-JOCHJYFZSA-N 2 0 373.585 3.174 20 0 FGADRP CO[C@@H](c1ccccc1)[C@@H](C)[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000414294218 499775008 /nfs/dbraw/zinc/77/50/08/499775008.db2.gz BSVXYHMQDGVMPF-DENIHFKCSA-N 2 0 368.521 3.379 20 0 FGADRP OC[C@@]1([NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)CCOc2ccccc21 ZINC000411680713 499777211 /nfs/dbraw/zinc/77/72/11/499777211.db2.gz YFDAVSRRCOCDRX-QHCPKHFHSA-N 2 0 366.505 3.432 20 0 FGADRP C[C@H]1CC(C)(C)C[C@H]1[NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000414330280 499778191 /nfs/dbraw/zinc/77/81/91/499778191.db2.gz BMAAMZPZLKGAAX-OXJNMPFZSA-N 2 0 357.542 3.298 20 0 FGADRP CC(C)[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000414336542 499778872 /nfs/dbraw/zinc/77/88/72/499778872.db2.gz ZNFOINQDPLTCGA-RTWAWAEBSA-N 2 0 357.542 3.298 20 0 FGADRP Cc1ccc(C[NH2+]CCc2ccc(OCC[NH+]3C[C@@H](C)[C@H](C)C3)cc2)nn1 ZINC000414365700 499781364 /nfs/dbraw/zinc/78/13/64/499781364.db2.gz NATNUKXEUFYWEU-QZTJIDSGSA-N 2 0 368.525 3.084 20 0 FGADRP C[C@H](C[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1)CC1CCOCC1 ZINC000414519557 499802162 /nfs/dbraw/zinc/80/21/62/499802162.db2.gz BJXOIVRAMOWSLL-IBGZPJMESA-N 2 0 360.542 3.056 20 0 FGADRP NC(=O)C1CC[NH+](Cc2ccc(C[NH2+]Cc3ccccc3Cl)cc2)CC1 ZINC000414552658 499807867 /nfs/dbraw/zinc/80/78/67/499807867.db2.gz HCBATJFVGQPKLK-UHFFFAOYSA-N 2 0 371.912 3.327 20 0 FGADRP CC(C)(C)C1CC([NH2+]Cc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)C1 ZINC000414561348 499809579 /nfs/dbraw/zinc/80/95/79/499809579.db2.gz YVHOJCKYIFCRBY-UHFFFAOYSA-N 2 0 357.542 3.298 20 0 FGADRP CSc1ccccc1OC[C@@H](O)C[N@H+](CC[C@H]1CCC[NH+]1C)C(C)C ZINC000411986556 499810082 /nfs/dbraw/zinc/81/00/82/499810082.db2.gz PPIGSJUAHFCDLQ-MSOLQXFVSA-N 2 0 366.571 3.343 20 0 FGADRP CC[C@@](C[NH2+]C1CCN(c2cc[nH+]cc2)CC1)(C(=O)OC)c1ccccc1 ZINC000414584679 499811861 /nfs/dbraw/zinc/81/18/61/499811861.db2.gz JQHUULZLXDMNHS-QFIPXVFZSA-N 2 0 367.493 3.161 20 0 FGADRP [NH3+]CC(=O)N1CCC[C@@H](C[N@H+](Cc2ccccc2Cl)C2CCCC2)C1 ZINC000414695188 499821220 /nfs/dbraw/zinc/82/12/20/499821220.db2.gz OIAIQVXMNHBCEH-MRXNPFEDSA-N 2 0 363.933 3.282 20 0 FGADRP CC(=O)NCC[N@H+](Cc1ccc(Cl)cc1Cl)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414752691 499826729 /nfs/dbraw/zinc/82/67/29/499826729.db2.gz LBZBJRSCJIXIHF-ZFWWWQNUSA-N 2 0 372.340 3.320 20 0 FGADRP C[C@@H]1C[C@H](C[NH+]2CCN(C(=O)c3cc4ccccc4s3)CC2)CC[NH2+]1 ZINC000414769673 499828676 /nfs/dbraw/zinc/82/86/76/499828676.db2.gz WZJATWPMZHGHLW-HZPDHXFCSA-N 2 0 357.523 3.047 20 0 FGADRP Cc1cc(Br)ccc1C[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000414793862 499831987 /nfs/dbraw/zinc/83/19/87/499831987.db2.gz UOXQLQLLHFNNDW-SJORKVTESA-N 2 0 353.304 3.086 20 0 FGADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)c3cccc(C[NH+]4CCCCC4)c3)CC[C@@H]21 ZINC000412188528 499832137 /nfs/dbraw/zinc/83/21/37/499832137.db2.gz BUWCHJMACUUAER-RTWAWAEBSA-N 2 0 355.526 3.229 20 0 FGADRP COc1ccc(OCc2ccccn2)c(C[NH2+]CC[C@H]2CCC[NH2+]C2)c1 ZINC000414830640 499835439 /nfs/dbraw/zinc/83/54/39/499835439.db2.gz CEUZUIUASHCUEP-QGZVFWFLSA-N 2 0 355.482 3.149 20 0 FGADRP C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+]CC1([NH3+])CCCCC1 ZINC000414833397 499835693 /nfs/dbraw/zinc/83/56/93/499835693.db2.gz AVESEEYAUCUBOU-CYBMUJFWSA-N 2 0 368.319 3.417 20 0 FGADRP C[C@H](CC[NH3+])[NH2+]Cc1cc(Br)ccc1OCc1ccccn1 ZINC000414895856 499842710 /nfs/dbraw/zinc/84/27/10/499842710.db2.gz NNQKFIIDHHCCMJ-CYBMUJFWSA-N 2 0 364.287 3.250 20 0 FGADRP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+]C1CCN(Cc2ccccc2Br)CC1 ZINC000414945546 499847725 /nfs/dbraw/zinc/84/77/25/499847725.db2.gz RVOQVRVTKMZDNO-KDOFPFPSSA-N 2 0 366.347 3.001 20 0 FGADRP Cc1cc(N)cc(C[NH2+]Cc2ccccc2N(C)C2CC[NH+](C)CC2)c1 ZINC000414957980 499849056 /nfs/dbraw/zinc/84/90/56/499849056.db2.gz CHHFDLIXIDBOMT-UHFFFAOYSA-N 2 0 352.526 3.397 20 0 FGADRP COc1cc(C[NH2+][C@H]2CC[NH2+]CC2(C)C)ccc1OCc1ccncc1 ZINC000414977816 499850684 /nfs/dbraw/zinc/85/06/84/499850684.db2.gz RXXZAGAIEUVWHL-FQEVSTJZSA-N 2 0 355.482 3.147 20 0 FGADRP C[C@@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000414980373 499851059 /nfs/dbraw/zinc/85/10/59/499851059.db2.gz WJYSFGGKKCDMBC-YJBOKZPZSA-N 2 0 351.922 3.199 20 0 FGADRP Clc1ccc(-n2cc(C[NH2+]CCC[C@@H]3CCC[NH2+]3)nn2)c(Cl)c1 ZINC000414983470 499851443 /nfs/dbraw/zinc/85/14/43/499851443.db2.gz ZRUPMSGHGRWXKD-CYBMUJFWSA-N 2 0 354.285 3.196 20 0 FGADRP COc1ccc(C[NH2+]C[C@@H]2CCC[C@H]([NH3+])C2)cc1OCc1cccnc1 ZINC000415000047 499853517 /nfs/dbraw/zinc/85/35/17/499853517.db2.gz JVEBNOUZWKCVDB-APWZRJJASA-N 2 0 355.482 3.276 20 0 FGADRP [NH3+][C@H]1CCC[C@H](C[NH2+]Cc2nc(-c3cccc(Br)c3)c[nH]2)C1 ZINC000415004147 499854154 /nfs/dbraw/zinc/85/41/54/499854154.db2.gz NWFXCVPUPQSFHY-WFASDCNBSA-N 2 0 363.303 3.446 20 0 FGADRP Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+][C@@H](C)CCC[NH3+] ZINC000415017667 499855291 /nfs/dbraw/zinc/85/52/91/499855291.db2.gz FRJROGOCDHHSJO-LBPRGKRZSA-N 2 0 351.292 3.160 20 0 FGADRP C[C@H](Cn1cc(Br)cn1)[NH2+][C@H](CCC[NH3+])c1ccccc1 ZINC000415058604 499859366 /nfs/dbraw/zinc/85/93/66/499859366.db2.gz UDXVECNFEVKTNN-CZUORRHYSA-N 2 0 351.292 3.104 20 0 FGADRP C[NH+](C)CCOc1ccccc1CN[C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000415078153 499861481 /nfs/dbraw/zinc/86/14/81/499861481.db2.gz FQXSGRVKCKLZMW-LEWJYISDSA-N 2 0 353.510 3.210 20 0 FGADRP COc1cc([C@H](C)[NH2+][C@H]2CCC[NH2+]CC2)ccc1OCc1ccncc1 ZINC000415084236 499862026 /nfs/dbraw/zinc/86/20/26/499862026.db2.gz GIRNUCIISNPVOI-LPHOPBHVSA-N 2 0 355.482 3.462 20 0 FGADRP Cc1nc(CN2CCC(C[NH2+][C@H](C)C[C@@H]3CCCCC[NH2+]3)CC2)oc1C ZINC000415093854 499862739 /nfs/dbraw/zinc/86/27/39/499862739.db2.gz WIJORMCGBLJDMI-UZLBHIALSA-N 2 0 362.562 3.404 20 0 FGADRP CSc1ccccc1OC[C@H](O)C[N@H+](C[C@H]1CC[NH2+][C@H](C)C1)C(C)C ZINC000415120658 499866227 /nfs/dbraw/zinc/86/62/27/499866227.db2.gz JAHDTTDRGKTEMG-FGTMMUONSA-N 2 0 366.571 3.247 20 0 FGADRP C[C@@H](C[N@@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1)c1ccc(C(F)(F)F)cc1 ZINC000415127856 499867394 /nfs/dbraw/zinc/86/73/94/499867394.db2.gz NJWGEQCQGMROBG-GUYCJALGSA-N 2 0 367.419 3.196 20 0 FGADRP CCCOc1ccc(C[NH+]2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)cc1OC ZINC000415127266 499867480 /nfs/dbraw/zinc/86/74/80/499867480.db2.gz QRMNQQBAZKSXFT-UYAOXDASSA-N 2 0 362.514 3.202 20 0 FGADRP [NH3+]Cc1cn([C@@H]2CCC[N@H+](CCCc3c(Cl)cccc3Cl)C2)nn1 ZINC000415130117 499867729 /nfs/dbraw/zinc/86/77/29/499867729.db2.gz QKZFUTTXCNSTLL-CQSZACIVSA-N 2 0 368.312 3.313 20 0 FGADRP CCCOc1cc(C[NH+]2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)ccc1OC ZINC000415130280 499867741 /nfs/dbraw/zinc/86/77/41/499867741.db2.gz WSJVIPKRMISRAC-AZUAARDMSA-N 2 0 362.514 3.202 20 0 FGADRP [NH3+]C1(CNC(=O)Nc2ccccc2OCCn2ccnc2)CCCCCC1 ZINC000415152645 499870909 /nfs/dbraw/zinc/87/09/09/499870909.db2.gz HKDZRYXPGHCMEF-UHFFFAOYSA-N 2 0 371.485 3.135 20 0 FGADRP CC[NH+](CC)CCOc1ccc(NC(=O)NC[C@H]([NH3+])c2ccccc2)cc1 ZINC000415177139 499873700 /nfs/dbraw/zinc/87/37/00/499873700.db2.gz HDQXPIFOZLNIGD-FQEVSTJZSA-N 2 0 370.497 3.229 20 0 FGADRP [NH3+]C[C@H](NC(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1)C1CCCC1 ZINC000415315462 499885700 /nfs/dbraw/zinc/88/57/00/499885700.db2.gz ZZACXFMUKIDKBY-FQEVSTJZSA-N 2 0 374.529 3.190 20 0 FGADRP CC1CC[NH+](CCc2cccc(NC(=O)N[C@@](C)(C[NH3+])C3CC3)c2)CC1 ZINC000415385431 499890701 /nfs/dbraw/zinc/89/07/01/499890701.db2.gz DXKKKPMHRMDIAZ-NRFANRHFSA-N 2 0 358.530 3.210 20 0 FGADRP C[NH+](C)CCc1ccccc1NC(=O)N[C@H](CCC[NH3+])c1ccccc1 ZINC000415587991 499903991 /nfs/dbraw/zinc/90/39/91/499903991.db2.gz ZLETVYVBADCFLV-HXUWFJFHSA-N 2 0 354.498 3.392 20 0 FGADRP CC[C@H](C)[NH2+][C@H](CNC(=O)Nc1ccc2c(c1)C[NH2+]CC2)c1ccco1 ZINC000415894558 499925351 /nfs/dbraw/zinc/92/53/51/499925351.db2.gz MKWJHHJNDGKESN-KBXCAEBGSA-N 2 0 356.470 3.176 20 0 FGADRP C[NH2+]Cc1ccccc1NC(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000415906583 499926681 /nfs/dbraw/zinc/92/66/81/499926681.db2.gz XRTCUCVXOVFQSA-UHFFFAOYSA-N 2 0 366.509 3.235 20 0 FGADRP C[NH2+]Cc1ccccc1NC(=O)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000415905993 499926757 /nfs/dbraw/zinc/92/67/57/499926757.db2.gz WDJAQSPVBVNOII-UHFFFAOYSA-N 2 0 352.482 3.146 20 0 FGADRP CC[NH2+]Cc1cccc(NC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000415915594 499927910 /nfs/dbraw/zinc/92/79/10/499927910.db2.gz ZJYLHMGSYAFTLR-XLIONFOSSA-N 2 0 356.514 3.277 20 0 FGADRP CC[C@H](CNC(=O)Nc1cccc(C[NH2+]C)c1)[N@@H+]1CCc2ccccc2C1 ZINC000415927398 499929451 /nfs/dbraw/zinc/92/94/51/499929451.db2.gz FOJFLLUVINMSKZ-OAQYLSRUSA-N 2 0 366.509 3.364 20 0 FGADRP CC[NH2+]Cc1cccc(NC(=O)NC[C@H](c2ccccc2OC)N(C)C)c1 ZINC000415932213 499929932 /nfs/dbraw/zinc/92/99/32/499929932.db2.gz MPDAXMCIVYETOV-LJQANCHMSA-N 2 0 370.497 3.229 20 0 FGADRP C[NH2+]Cc1cccc(NC(=O)N2CC[N@H+](Cc3ccccc3)C[C@@H](C)C2)c1 ZINC000415933889 499930261 /nfs/dbraw/zinc/93/02/61/499930261.db2.gz QRLCNMUOFBRCJR-GOSISDBHSA-N 2 0 366.509 3.392 20 0 FGADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)Nc1ccc(OCC[NH3+])cc1)c1ccccc1 ZINC000415935538 499930460 /nfs/dbraw/zinc/93/04/60/499930460.db2.gz JUZMHVCAGFOTOM-MRXNPFEDSA-N 2 0 370.497 3.275 20 0 FGADRP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000415949920 499932404 /nfs/dbraw/zinc/93/24/04/499932404.db2.gz CLKHNFIEYQALHP-HNNXBMFYSA-N 2 0 362.493 3.248 20 0 FGADRP CC(C)CN(CC[NH+](C)C)C(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000415956707 499933442 /nfs/dbraw/zinc/93/34/42/499933442.db2.gz OMKWDXGERAUSLC-UHFFFAOYSA-N 2 0 360.424 3.216 20 0 FGADRP CC(C)Oc1ccc([C@@H](CNC(=O)Nc2ccc(C[NH3+])cc2)[NH+](C)C)cc1 ZINC000415960272 499933712 /nfs/dbraw/zinc/93/37/12/499933712.db2.gz PUXXOTHAWOMGHU-HXUWFJFHSA-N 2 0 370.497 3.357 20 0 FGADRP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)Nc1ccc(C[NH3+])cc1 ZINC000415964520 499934241 /nfs/dbraw/zinc/93/42/41/499934241.db2.gz WLCUFGNKPBRJIE-FQEVSTJZSA-N 2 0 354.498 3.423 20 0 FGADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)Nc2cc(C[NH3+])cc(C(F)(F)F)c2)C1 ZINC000415963573 499934344 /nfs/dbraw/zinc/93/43/44/499934344.db2.gz VUQXXNQDAOPUJZ-CYBMUJFWSA-N 2 0 372.435 3.360 20 0 FGADRP Cc1ccc([C@H](CNC(=O)Nc2ccc(C[NH3+])cc2)[NH+]2CCCC2)cc1 ZINC000415969108 499935236 /nfs/dbraw/zinc/93/52/36/499935236.db2.gz DEDHJPKPKJDKHN-FQEVSTJZSA-N 2 0 352.482 3.412 20 0 FGADRP CC[C@H](C)[NH2+][C@H](CNC(=O)Nc1ccc2c(c1)C[NH2+]CCO2)c1ccco1 ZINC000415979740 499936767 /nfs/dbraw/zinc/93/67/67/499936767.db2.gz XUIOOOVPVQVPAV-WMLDXEAASA-N 2 0 372.469 3.013 20 0 FGADRP C[NH2+]Cc1ccc(NC(=O)N2CCC[N@H+](Cc3ccccc3)CC2)cc1 ZINC000415983413 499937200 /nfs/dbraw/zinc/93/72/00/499937200.db2.gz GIQUXKZLCZMAOM-UHFFFAOYSA-N 2 0 352.482 3.146 20 0 FGADRP CN(C(=O)Nc1ccc2c(c1)C[NH2+]C2)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000415994889 499938966 /nfs/dbraw/zinc/93/89/66/499938966.db2.gz JELOJWNTPMYLEC-FQEVSTJZSA-N 2 0 350.466 3.028 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)Nc1ccc2c(c1)C[NH2+]C2)c1ccccc1 ZINC000416004755 499940239 /nfs/dbraw/zinc/94/02/39/499940239.db2.gz HKRUNDUXWWNWQJ-HXUWFJFHSA-N 2 0 352.482 3.494 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N1CCCC[C@H]1[C@@H]1CCC[NH2+]C1 ZINC000417037809 499955022 /nfs/dbraw/zinc/95/50/22/499955022.db2.gz IRQWWRBXNISLKV-AQNXPRMDSA-N 2 0 364.578 3.205 20 0 FGADRP CC(C)(C)[NH+]1CCC(NC(=O)N[C@@H](C[NH3+])c2ccc3ccccc3c2)CC1 ZINC000417178174 499996224 /nfs/dbraw/zinc/99/62/24/499996224.db2.gz MJJXLDUKAUEQOY-FQEVSTJZSA-N 2 0 368.525 3.402 20 0 FGADRP CC1CC[NH+]([C@H](CNC(=O)N2CC[C@H](C)[C@@H](C[NH3+])C2)c2ccccc2)CC1 ZINC000417211720 500006371 /nfs/dbraw/zinc/00/63/71/500006371.db2.gz GTDQKAMLJBYHNW-SESVDKBCSA-N 2 0 372.557 3.086 20 0 FGADRP C[NH2+]C[C@@H](C)CNC(=O)NCc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000417218564 500008010 /nfs/dbraw/zinc/00/80/10/500008010.db2.gz LKYATMGNHOZXMR-QGZVFWFLSA-N 2 0 360.546 3.106 20 0 FGADRP CC[NH+](CC)[C@H](C(=O)N1CC[C@H]([NH3+])[C@H](C)C1)c1cccc(C(F)(F)F)c1 ZINC000429139273 500011907 /nfs/dbraw/zinc/01/19/07/500011907.db2.gz FASMIMRLSJLZSY-COXVUDFISA-N 2 0 371.447 3.284 20 0 FGADRP C[C@@H]1CN(C(=O)c2cccc(C[N@H+](C)Cc3ccccc3)c2)CC[C@@H]1[NH3+] ZINC000429192123 500022126 /nfs/dbraw/zinc/02/21/26/500022126.db2.gz ZGOFZFFCBLERKU-UTKZUKDTSA-N 2 0 351.494 3.128 20 0 FGADRP C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)N[C@](C)(C[NH3+])C2CC2)c1 ZINC000429219229 500026173 /nfs/dbraw/zinc/02/61/73/500026173.db2.gz AUWRRIBCOQKBKM-JOCHJYFZSA-N 2 0 351.494 3.176 20 0 FGADRP CC(C)(C)NC(=O)C[NH+]1CCC(C[NH2+]Cc2cccc(C3CC3)c2)CC1 ZINC000421364926 500027637 /nfs/dbraw/zinc/02/76/37/500027637.db2.gz PZEZAAZFDYNBQD-UHFFFAOYSA-N 2 0 357.542 3.280 20 0 FGADRP CC[C@@H]([NH3+])CNC(=O)NC[C@H](c1ccc(C(F)(F)F)cc1)[NH+](CC)CC ZINC000417295223 500031330 /nfs/dbraw/zinc/03/13/30/500031330.db2.gz JMKHHQQLRKGXMM-HZPDHXFCSA-N 2 0 374.451 3.125 20 0 FGADRP C[C@@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)[C@@H]1C[C@H]1c1cccs1 ZINC000417314444 500037335 /nfs/dbraw/zinc/03/73/35/500037335.db2.gz ZBCAECDURNJQGR-AYOQOUSVSA-N 2 0 371.550 3.321 20 0 FGADRP CC[NH+](CC)[C@H](C(=O)N[C@H]1CCC[C@H]1C[NH3+])c1cccc(C(F)(F)F)c1 ZINC000429269123 500038916 /nfs/dbraw/zinc/03/89/16/500038916.db2.gz UPYUYMQRLWATNQ-XIRDDKMYSA-N 2 0 371.447 3.332 20 0 FGADRP [NH3+]CCC[C@@H](NC(=O)NC1CC[NH+](CC2CCCC2)CC1)c1ccccc1 ZINC000417334987 500042822 /nfs/dbraw/zinc/04/28/22/500042822.db2.gz RYQPKBBDTZUCCL-OAQYLSRUSA-N 2 0 372.557 3.420 20 0 FGADRP C[NH2+]CCC1CCN(C(=O)NC[C@H](c2ccc(C)cc2)[NH+]2CCCC2)CC1 ZINC000417358148 500048767 /nfs/dbraw/zinc/04/87/67/500048767.db2.gz SNJHTTLSNFXOCC-OAQYLSRUSA-N 2 0 372.557 3.163 20 0 FGADRP O=C(NCc1cccc(C[NH+]2CCCCCC2)c1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000417361036 500049128 /nfs/dbraw/zinc/04/91/28/500049128.db2.gz YCVQINFVATZIDZ-OYRHEFFESA-N 2 0 370.541 3.099 20 0 FGADRP COc1cc2[nH+]ccc(N3CC[N@H+](C)C[C@@H]3C)c2cc1Br ZINC000425231797 500050957 /nfs/dbraw/zinc/05/09/57/500050957.db2.gz SVPZQRSGPJIJOB-NSHDSACASA-N 2 0 350.260 3.146 20 0 FGADRP CCC[NH+]1CCC(CNC(=O)N[C@@H](C[NH3+])c2ccc3ccccc3c2)CC1 ZINC000417391851 500058325 /nfs/dbraw/zinc/05/83/25/500058325.db2.gz OBWKYHIMZDMXRS-NRFANRHFSA-N 2 0 368.525 3.261 20 0 FGADRP CC[C@@H]([NH2+]CCCC[NH+]1CCN(Cc2ccccc2)CC1)c1ccn(C)n1 ZINC000576505675 506174163 /nfs/dbraw/zinc/17/41/63/506174163.db2.gz LTDGBGSBTGAPED-OAQYLSRUSA-N 2 0 369.557 3.059 20 0 FGADRP CCC[C@@H]([NH2+]C(C)C)C(=O)Nc1nc2c(s1)C[N@@H+](C(C)(C)C)CC2 ZINC000425319542 500074265 /nfs/dbraw/zinc/07/42/65/500074265.db2.gz CVJIDRQBYHTHIK-CQSZACIVSA-N 2 0 352.548 3.405 20 0 FGADRP CC[NH+]1CCN(Cc2ccccc2C[NH2+][C@@H](C)CC2(OC)CCC2)CC1 ZINC000429514793 500091353 /nfs/dbraw/zinc/09/13/53/500091353.db2.gz AJRLELDWBMOPSV-IBGZPJMESA-N 2 0 359.558 3.261 20 0 FGADRP COC(=O)[C@H](CC[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)c1ccccc1 ZINC000425419339 500100590 /nfs/dbraw/zinc/10/05/90/500100590.db2.gz KYVIHJKOFCHZOX-CEWLAPEOSA-N 2 0 356.510 3.282 20 0 FGADRP C[N@H+](Cc1ccccc1CNC(=O)[C@H](N)c1cscn1)C1CCCCC1 ZINC000573362332 506180021 /nfs/dbraw/zinc/18/00/21/506180021.db2.gz DQNFIBQFNZOOTB-LJQANCHMSA-N 2 0 372.538 3.224 20 0 FGADRP O=C(NCc1ccccc1C[NH+]1CCCCCC1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000417633225 500131048 /nfs/dbraw/zinc/13/10/48/500131048.db2.gz ZJXNGEQRNCWFLA-RTWAWAEBSA-N 2 0 370.541 3.099 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)NC1CCC([NH3+])CC1)c1ccccc1Cl ZINC000416832967 500132950 /nfs/dbraw/zinc/13/29/50/500132950.db2.gz IYDDJTZXWYUFAQ-JMLCCBQJSA-N 2 0 366.937 3.292 20 0 FGADRP COc1ccc(C[C@@H](C)[NH2+]C[C@H]2CC[N@H+](CCc3ccccc3)C2)cn1 ZINC000414065632 500142589 /nfs/dbraw/zinc/14/25/89/500142589.db2.gz GFHLXSLBXDIQPR-WIYYLYMNSA-N 2 0 353.510 3.175 20 0 FGADRP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N[C@@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000417677518 500147083 /nfs/dbraw/zinc/14/70/83/500147083.db2.gz FVZNIKGPOAYEKY-IMFGXOCKSA-N 2 0 358.530 3.029 20 0 FGADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)NC[C@@H]([NH3+])c1ccccc1)c1ccccc1 ZINC000417698501 500151872 /nfs/dbraw/zinc/15/18/72/500151872.db2.gz GIVUOCJUFXPGCF-VQIMIIECSA-N 2 0 354.498 3.115 20 0 FGADRP CC[NH2+]CC1CCN(C(=O)NCC(C)(C)[NH2+][C@H](C)c2ccccc2)CC1 ZINC000417705723 500153323 /nfs/dbraw/zinc/15/33/23/500153323.db2.gz NUCXKCVWPSYNSJ-QGZVFWFLSA-N 2 0 360.546 3.147 20 0 FGADRP COc1ccc([C@H]([NH2+]C2CCN(CC[NH+](C)C)CC2)C(C)C)c(F)c1 ZINC000421818398 500158228 /nfs/dbraw/zinc/15/82/28/500158228.db2.gz AQMLJIUTRYRNKE-HXUWFJFHSA-N 2 0 351.510 3.147 20 0 FGADRP CC[NH+]1CCC(CCNC(=O)NC[C@@H]([NH3+])c2ccc(C(C)C)cc2)CC1 ZINC000417752047 500163763 /nfs/dbraw/zinc/16/37/63/500163763.db2.gz QGJXIRUASFFKOA-HXUWFJFHSA-N 2 0 360.546 3.231 20 0 FGADRP CCC(CC)[C@@H](CNC(=O)N1CCC2(CC[NH2+]CC2)CC1)[NH+]1CCCC1 ZINC000416949623 500164012 /nfs/dbraw/zinc/16/40/12/500164012.db2.gz HJNMBCMIIKSXBO-LJQANCHMSA-N 2 0 364.578 3.062 20 0 FGADRP CC1=CCC[C@@H](C)[C@@H]1C[NH+]1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000573366254 506180234 /nfs/dbraw/zinc/18/02/34/506180234.db2.gz KHDUTKONBNUACG-TZIWHRDSSA-N 2 0 361.574 3.293 20 0 FGADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000416969955 500169875 /nfs/dbraw/zinc/16/98/75/500169875.db2.gz MFWVZGSNCAWITI-TZIWHRDSSA-N 2 0 372.557 3.058 20 0 FGADRP C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)NCC[C@H]3CCC[NH2+]C3)cc2)C1 ZINC000416970206 500169931 /nfs/dbraw/zinc/16/99/31/500169931.db2.gz NCJZZPPMLKBUHY-RTBURBONSA-N 2 0 372.557 3.107 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@H]2CSc3ccccc3O2)[C@@H](C)C1 ZINC000582300862 506180292 /nfs/dbraw/zinc/18/02/92/506180292.db2.gz GXACUPFIUHHUMF-BZSNNMDCSA-N 2 0 364.555 3.266 20 0 FGADRP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)NCc2ccc(C[NH+]3CCC(C)CC3)cc2)C1 ZINC000416973337 500171236 /nfs/dbraw/zinc/17/12/36/500171236.db2.gz JSGMFVDMTUBGRH-GHTZIAJQSA-N 2 0 372.557 3.187 20 0 FGADRP CC1CC[NH+](Cc2ccc(CNC(=O)N3CCC[C@H](CC[NH3+])C3)cc2)CC1 ZINC000416979375 500174109 /nfs/dbraw/zinc/17/41/09/500174109.db2.gz SFSDZFHAKQHQDE-HXUWFJFHSA-N 2 0 372.557 3.189 20 0 FGADRP C[C@@H](CCCC[NH3+])NC(=O)NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000416984261 500174995 /nfs/dbraw/zinc/17/49/95/500174995.db2.gz XZSFWJXBJKAPAJ-ZWKOTPCHSA-N 2 0 360.546 3.378 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)N[C@H]3CC[NH2+][C@H](C)C3)cc2)C1 ZINC000416993434 500178530 /nfs/dbraw/zinc/17/85/30/500178530.db2.gz QFYYOQQOODTBAJ-IIMDRIAPSA-N 2 0 372.557 3.104 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@H]2CSc3ccccc3O2)[C@H](C)C1 ZINC000582300865 506180807 /nfs/dbraw/zinc/18/08/07/506180807.db2.gz GXACUPFIUHHUMF-SQNIBIBYSA-N 2 0 364.555 3.266 20 0 FGADRP Clc1ccc(OCC2CC2)c(C[NH2+]CCCC[NH+]2CCOCC2)c1 ZINC000430022664 500181867 /nfs/dbraw/zinc/18/18/67/500181867.db2.gz VIINKVVPZGKFKS-UHFFFAOYSA-N 2 0 352.906 3.331 20 0 FGADRP COc1ccccc1-n1nccc1C[NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000430020600 500181961 /nfs/dbraw/zinc/18/19/61/500181961.db2.gz HKYRVAJQNFLLRV-GOSISDBHSA-N 2 0 356.514 3.483 20 0 FGADRP CCCC[N@H+](CC)Cc1cccc(CNC(=O)N2CCC[C@@H](C[NH2+]C)C2)c1 ZINC000417868710 500187528 /nfs/dbraw/zinc/18/75/28/500187528.db2.gz CXOXKGDTBMNQJH-NRFANRHFSA-N 2 0 374.573 3.450 20 0 FGADRP CC(C)C[C@H](CNC(=O)N1CCC(C[NH3+])CC1)[NH2+][C@@H](C)c1ccccc1 ZINC000417874288 500188771 /nfs/dbraw/zinc/18/87/71/500188771.db2.gz NADYAEMPLWEMCW-FXAWDEMLSA-N 2 0 360.546 3.132 20 0 FGADRP CC(C)C[C@@H](CNC(=O)NCCC1=CC[NH2+]CC1)[NH2+][C@H](C)c1ccccc1 ZINC000417880002 500190352 /nfs/dbraw/zinc/19/03/52/500190352.db2.gz SCRBPMQRDGGGPH-NQIIRXRSSA-N 2 0 372.557 3.361 20 0 FGADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)NC1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000417896067 500194014 /nfs/dbraw/zinc/19/40/14/500194014.db2.gz PBVFGBQCCKHAHY-CMKODMSKSA-N 2 0 374.573 3.158 20 0 FGADRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)NCC1([NH3+])CCCCC1 ZINC000417896624 500194170 /nfs/dbraw/zinc/19/41/70/500194170.db2.gz PTSIKSKCJOIMTE-RUYXUALKSA-N 2 0 372.557 3.104 20 0 FGADRP CC1CC[NH+](C2CCC(NC(=O)NCC3([NH3+])CCCCCC3)CC2)CC1 ZINC000570501349 506182023 /nfs/dbraw/zinc/18/20/23/506182023.db2.gz ZJOWYIZAQDFDSD-UHFFFAOYSA-N 2 0 364.578 3.380 20 0 FGADRP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N[C@H](CCC[NH3+])c1ccccc1 ZINC000417988164 500210327 /nfs/dbraw/zinc/21/03/27/500210327.db2.gz RSYKHIGWVMBLIM-WIYYLYMNSA-N 2 0 368.525 3.286 20 0 FGADRP C[C@H]([NH3+])c1ccc(CNC(=O)N[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000418017105 500214784 /nfs/dbraw/zinc/21/47/84/500214784.db2.gz RZMWDELSLZMSMY-FIKGOQFSSA-N 2 0 366.509 3.026 20 0 FGADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)NC[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000418046182 500219910 /nfs/dbraw/zinc/21/99/10/500219910.db2.gz PYWGWQBNRDBZIS-CTNGQTDRSA-N 2 0 360.546 3.056 20 0 FGADRP CC(C)(CNC(=O)N[C@@H](C[NH3+])c1ccc2ccccc2c1)C[NH+]1CCCC1 ZINC000418060349 500223815 /nfs/dbraw/zinc/22/38/15/500223815.db2.gz CGRGDQNYSWLOQV-FQEVSTJZSA-N 2 0 368.525 3.261 20 0 FGADRP C[C@H](C(=O)Nc1ccc(C(F)(F)F)cc1)N1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000582314784 506184340 /nfs/dbraw/zinc/18/43/40/506184340.db2.gz NVKKUEJZDDFIOJ-RDTXWAMCSA-N 2 0 369.431 3.450 20 0 FGADRP C[C@H](C(=O)Nc1ccc(C(F)(F)F)cc1)N1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000582314782 506184606 /nfs/dbraw/zinc/18/46/06/506184606.db2.gz NVKKUEJZDDFIOJ-KDOFPFPSSA-N 2 0 369.431 3.450 20 0 FGADRP CCCC[C@@H](C[NH3+])NC(=O)NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000418240127 500254404 /nfs/dbraw/zinc/25/44/04/500254404.db2.gz PHHDGFZHKFWIPF-PMACEKPBSA-N 2 0 360.546 3.105 20 0 FGADRP CC[NH2+]CC1CC[NH+]([C@@H](C)C(=O)Nc2ccccc2C(F)(F)F)CC1 ZINC000430584573 500258339 /nfs/dbraw/zinc/25/83/39/500258339.db2.gz UWEWUYVTSYXSNV-ZDUSSCGKSA-N 2 0 357.420 3.354 20 0 FGADRP CC[NH2+]CC1CC[NH+](CC(=O)N(C)[C@H](C)c2ccc(Cl)cc2)CC1 ZINC000430582527 500258442 /nfs/dbraw/zinc/25/84/42/500258442.db2.gz LCWYXEORPLRGCY-OAHLLOKOSA-N 2 0 351.922 3.181 20 0 FGADRP CC[NH2+]CC1CC[NH+](CCC(=O)Nc2ccccc2Br)CC1 ZINC000430585647 500258609 /nfs/dbraw/zinc/25/86/09/500258609.db2.gz SWCWXOFLQRSSKR-UHFFFAOYSA-N 2 0 368.319 3.099 20 0 FGADRP C[C@@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)[NH+]1CCC(C[NH3+])CC1 ZINC000430611273 500262265 /nfs/dbraw/zinc/26/22/65/500262265.db2.gz OAKSEQNQYWLVHQ-NSHDSACASA-N 2 0 354.376 3.487 20 0 FGADRP C[NH2+]C[C@H]1CCC[N@H+](CCC(=O)N[C@H](c2cccs2)c2ccccc2)C1 ZINC000430619673 500263035 /nfs/dbraw/zinc/26/30/35/500263035.db2.gz AHHGFZSACDTUTA-UTKZUKDTSA-N 2 0 371.550 3.275 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@@H]([NH3+])c2ccc(C(C)C)cc2)C[C@@H]1C ZINC000418337977 500264497 /nfs/dbraw/zinc/26/44/97/500264497.db2.gz YQOWSZSZBOXFGQ-FFZOFVMBSA-N 2 0 360.546 3.324 20 0 FGADRP CC(C)c1ccc([C@H]([NH3+])CNC(=O)N2CCC[C@H]2C[NH+]2CCCC2)cc1 ZINC000418365498 500268523 /nfs/dbraw/zinc/26/85/23/500268523.db2.gz XVMGETTVEHYUCR-VQTJNVASSA-N 2 0 358.530 3.080 20 0 FGADRP [NH3+]C[C@H](NC(=O)N1CCC(CCC[NH+]2CCCC2)CC1)C1CCCCC1 ZINC000418366485 500268576 /nfs/dbraw/zinc/26/85/76/500268576.db2.gz PVLKYRUNWCJWNK-FQEVSTJZSA-N 2 0 364.578 3.192 20 0 FGADRP CC(C)c1ccc([C@@H]([NH3+])CNC(=O)N2CCC[C@H]2C[NH+]2CCCC2)cc1 ZINC000418365496 500268697 /nfs/dbraw/zinc/26/86/97/500268697.db2.gz XVMGETTVEHYUCR-PMACEKPBSA-N 2 0 358.530 3.080 20 0 FGADRP C[C@@H]([NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+]2C2CC2)CCCC1)c1ccccc1 ZINC000426413488 500270792 /nfs/dbraw/zinc/27/07/92/500270792.db2.gz WWDUZCUOTOCZRG-YLJYHZDGSA-N 2 0 355.526 3.393 20 0 FGADRP [NH3+]C1(C(=O)N2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)CCCCC1 ZINC000430708055 500272815 /nfs/dbraw/zinc/27/28/15/500272815.db2.gz RTKCPXVHJZTNLY-NRFANRHFSA-N 2 0 355.526 3.163 20 0 FGADRP CC(C)C[C@H](C[NH3+])NC(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000418422199 500274083 /nfs/dbraw/zinc/27/40/83/500274083.db2.gz COOYPFCVOZWEBV-IRLDBZIGSA-N 2 0 372.557 3.058 20 0 FGADRP CCCC[C@H](C[NH3+])NC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000418453768 500278300 /nfs/dbraw/zinc/27/83/00/500278300.db2.gz ZLSSVTGNOLYCBT-DFQSSKMNSA-N 2 0 360.546 3.198 20 0 FGADRP [NH3+][C@H]1CCC[C@@H]1[NH2+]CCSCCOc1cccc(Br)c1 ZINC000422710492 500287696 /nfs/dbraw/zinc/28/76/96/500287696.db2.gz LIROPMXJOHQYPP-GJZGRUSLSA-N 2 0 359.333 3.031 20 0 FGADRP COc1ccc(C[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c(OC)c1 ZINC000422714911 500288274 /nfs/dbraw/zinc/28/82/74/500288274.db2.gz INKSLJBDALBWDG-RXVVDRJESA-N 2 0 354.450 3.049 20 0 FGADRP COc1ccc(C[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c(OC)c1 ZINC000422714909 500288564 /nfs/dbraw/zinc/28/85/64/500288564.db2.gz INKSLJBDALBWDG-GHTZIAJQSA-N 2 0 354.450 3.049 20 0 FGADRP COc1ccc(C[NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)cc1OC1CCCC1 ZINC000422713159 500288797 /nfs/dbraw/zinc/28/87/97/500288797.db2.gz PHIUFZHDFBRDLP-XUVXKRRUSA-N 2 0 374.525 3.263 20 0 FGADRP Cc1ccc([C@H](C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)N2CCOCC2)cc1 ZINC000422716290 500289562 /nfs/dbraw/zinc/28/95/62/500289562.db2.gz UEKFHOQSOOCYDJ-AFXVXQJMSA-N 2 0 371.569 3.269 20 0 FGADRP COC[C@H](CCC[NH3+])[NH2+][C@@H](Cn1cnc2ccccc21)c1ccc(F)cc1 ZINC000422715713 500289567 /nfs/dbraw/zinc/28/95/67/500289567.db2.gz MLPYAEXCMWOQLH-ICSRJNTNSA-N 2 0 370.472 3.260 20 0 FGADRP O=C(NCc1ccc2c(c1)C[NH2+]C2)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000418553968 500291094 /nfs/dbraw/zinc/29/10/94/500291094.db2.gz NGPBEJPRUGMMPI-UHFFFAOYSA-N 2 0 370.541 3.087 20 0 FGADRP CCOC(=O)C1([C@@H](C)[NH2+]CCc2ccc(Cl)cc2Cl)CC[NH2+]CC1 ZINC000422736752 500292294 /nfs/dbraw/zinc/29/22/94/500292294.db2.gz WLZRCPRNMRYCOH-CYBMUJFWSA-N 2 0 373.324 3.447 20 0 FGADRP C[C@@H](C[NH3+])NC(=O)N1CCCCC[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000418571276 500293017 /nfs/dbraw/zinc/29/30/17/500293017.db2.gz RIOPXHZJHKZDIM-GHTZIAJQSA-N 2 0 372.557 3.200 20 0 FGADRP COc1cccc([C@@H](C[NH2+][C@H](C)c2ccc(C[NH3+])nc2C)N2CCCC2)c1 ZINC000422756489 500294576 /nfs/dbraw/zinc/29/45/76/500294576.db2.gz IXLIZLGWRHRFJZ-OPAMFIHVSA-N 2 0 368.525 3.345 20 0 FGADRP C[NH+](C)C[C@H](NC(=O)c1ccc2c(ccn2CCC[NH3+])c1)c1ccccc1 ZINC000430840398 500294606 /nfs/dbraw/zinc/29/46/06/500294606.db2.gz RQMJTRPDMZNZMU-FQEVSTJZSA-N 2 0 364.493 3.023 20 0 FGADRP COc1cccc(N2CCC[C@H]([NH2+][C@H](Cc3ccccc3)[C@H](C)[NH3+])C2)c1 ZINC000422759306 500294650 /nfs/dbraw/zinc/29/46/50/500294650.db2.gz KRUFVTTZXRBZBA-LQBOVUBWSA-N 2 0 353.510 3.212 20 0 FGADRP CC[C@H](C[NH2+][C@@H]1CCOC[C@H]1[C@H](C)[NH3+])Cc1cccc(Br)c1 ZINC000422761404 500295050 /nfs/dbraw/zinc/29/50/50/500295050.db2.gz RFIHJPXLAOUVTQ-DFEHZGFQSA-N 2 0 369.347 3.360 20 0 FGADRP COc1cccc([C@H](CN[C@@H](Cc2ccccc2)[C@H](C)[NH3+])[NH+]2CCCC2)c1 ZINC000422763051 500295352 /nfs/dbraw/zinc/29/53/52/500295352.db2.gz OKOAMFISYNKOAO-TZYHBYERSA-N 2 0 367.537 3.380 20 0 FGADRP CCOC(=O)C1([C@H](C)[NH2+]CC[C@H](C)c2ccc(OC)cc2)CC[NH2+]CC1 ZINC000422781624 500297180 /nfs/dbraw/zinc/29/71/80/500297180.db2.gz LUBVWCLEOCJCIG-IRXDYDNUSA-N 2 0 362.514 3.100 20 0 FGADRP COc1ccc(C[NH+]2CCC(C[NH2+][C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)CC2)cc1 ZINC000422788149 500297422 /nfs/dbraw/zinc/29/74/22/500297422.db2.gz VHPJGKOZGWNODK-DNVJHFABSA-N 3 0 371.569 3.418 20 0 FGADRP C[C@H](C[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)Oc1ccccc1F ZINC000422791271 500298264 /nfs/dbraw/zinc/29/82/64/500298264.db2.gz QBYUYANLEGKBBJ-FPDPHYFHSA-N 2 0 356.441 3.439 20 0 FGADRP C[C@H](C[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)Oc1ccccc1F ZINC000422791276 500298282 /nfs/dbraw/zinc/29/82/82/500298282.db2.gz QBYUYANLEGKBBJ-YWMUFLPLSA-N 2 0 356.441 3.439 20 0 FGADRP CCOC(=O)C1([C@H](C)[NH2+]C[C@@H](C)Sc2ccccc2)CC[NH2+]CC1 ZINC000422795692 500299008 /nfs/dbraw/zinc/29/90/08/500299008.db2.gz WEQVFASWRWUNBQ-CVEARBPZSA-N 2 0 350.528 3.078 20 0 FGADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@H](CO)Cc1c(F)cccc1Cl ZINC000422798927 500299037 /nfs/dbraw/zinc/29/90/37/500299037.db2.gz UHGHQJREQTUIID-GXTWGEPZSA-N 2 0 365.880 3.143 20 0 FGADRP Cc1cccc(N2CC[NH+](CCCN[C@H]3C[C@@H]([NH3+])c4ccccc43)CC2)c1 ZINC000422809123 500300402 /nfs/dbraw/zinc/30/04/02/500300402.db2.gz PHMKINDUTJOGKM-PKTZIBPZSA-N 2 0 364.537 3.242 20 0 FGADRP [NH3+]CCC[C@H](NC(=O)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC000418671015 500305201 /nfs/dbraw/zinc/30/52/01/500305201.db2.gz LAOLRHAORYMFBV-HSALFYBXSA-N 2 0 358.530 3.030 20 0 FGADRP C[C@H](CCCC[NH3+])NC(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000418675197 500306040 /nfs/dbraw/zinc/30/60/40/500306040.db2.gz QMYRUMVBPRQUST-LJQANCHMSA-N 2 0 372.557 3.202 20 0 FGADRP Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)c(N2CCOCC2)c1 ZINC000422859232 500306722 /nfs/dbraw/zinc/30/67/22/500306722.db2.gz HDBQENVOHBJUIQ-NJDAHSKKSA-N 2 0 357.542 3.232 20 0 FGADRP C[C@H](CCCC[NH3+])NC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000418687590 500308204 /nfs/dbraw/zinc/30/82/04/500308204.db2.gz DNJBEGCUPJRDEN-GGPKGHCWSA-N 2 0 360.546 3.198 20 0 FGADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@H]1CCN(C(=O)CCc2ccccc2)C1 ZINC000422869798 500308334 /nfs/dbraw/zinc/30/83/34/500308334.db2.gz APUIULLKPGTODI-NRSPTQNISA-N 2 0 357.542 3.121 20 0 FGADRP C[C@H](CCC[NH3+])[NH2+][C@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1 ZINC000422885035 500310925 /nfs/dbraw/zinc/31/09/25/500310925.db2.gz SZRKGPVNCQUQHX-CZUORRHYSA-N 2 0 357.420 3.086 20 0 FGADRP C[C@H]([NH3+])C1CC[NH+](CCC(=O)N[C@H](c2cccs2)c2ccccc2)CC1 ZINC000430945216 500311130 /nfs/dbraw/zinc/31/11/30/500311130.db2.gz WGYOWGYFTOKKCY-KKSFZXQISA-N 2 0 371.550 3.403 20 0 FGADRP Cc1ccc(CCC2CCN(C(=O)C[NH+]3CCC([C@H](C)[NH3+])CC3)CC2)cc1 ZINC000430949908 500312257 /nfs/dbraw/zinc/31/22/57/500312257.db2.gz FJHBDLOHYDSTDV-IBGZPJMESA-N 2 0 371.569 3.225 20 0 FGADRP C[C@@H]([NH2+]C[C@@H]1CCN(c2cccc(Br)c2)C1)[C@H]1CCC[NH2+]1 ZINC000422896125 500312208 /nfs/dbraw/zinc/31/22/08/500312208.db2.gz HJRHXXRKENNBBA-JKIFEVAISA-N 2 0 352.320 3.006 20 0 FGADRP COc1ccc(Cl)cc1C1(C[NH2+][C@H]2CC[NH2+]CC[C@H]2C)CCOCC1 ZINC000422897229 500312920 /nfs/dbraw/zinc/31/29/20/500312920.db2.gz BNWZMFBGVDSMMH-QAPCUYQASA-N 2 0 366.933 3.375 20 0 FGADRP Cc1cc(Cl)ccc1OCCC[NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000422897117 500313124 /nfs/dbraw/zinc/31/31/24/500313124.db2.gz JAIFLMMYAHNRAO-KZNAEPCWSA-N 2 0 352.906 3.164 20 0 FGADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000422899849 500313270 /nfs/dbraw/zinc/31/32/70/500313270.db2.gz PILJAQRVMPXMCS-MPGHIAIKSA-N 2 0 366.347 3.383 20 0 FGADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]C[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000422900425 500314020 /nfs/dbraw/zinc/31/40/20/500314020.db2.gz QKSXYHSJJXQKRT-RKVPGOIHSA-N 2 0 366.347 3.253 20 0 FGADRP CCOC(=O)C1([C@H](C)[NH2+]CC2(Sc3ccccc3)CC2)CC[NH2+]CC1 ZINC000422907497 500314920 /nfs/dbraw/zinc/31/49/20/500314920.db2.gz LKJODNMPQWJFCP-INIZCTEOSA-N 2 0 362.539 3.222 20 0 FGADRP CC[NH+]1CCN(Cc2ccc(N[C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)cc2)CC1 ZINC000422915284 500316092 /nfs/dbraw/zinc/31/60/92/500316092.db2.gz APVCFNKVJAVHQE-FDFHNCONSA-N 2 0 356.558 3.157 20 0 FGADRP CCOC(=O)C1([C@@H](C)[NH2+]C[C@@H](C)Oc2cccc(Cl)c2)CC[NH2+]CC1 ZINC000422917053 500316532 /nfs/dbraw/zinc/31/65/32/500316532.db2.gz FJCCQJPRLSNARW-HUUCEWRRSA-N 2 0 368.905 3.018 20 0 FGADRP C[C@H](CCCC[NH3+])[NH2+][C@H](C)c1cc2c(cc1Br)OCCO2 ZINC000422935759 500319636 /nfs/dbraw/zinc/31/96/36/500319636.db2.gz DNTAHOLZEPLUKC-VXGBXAGGSA-N 2 0 357.292 3.388 20 0 FGADRP CCOC(=O)C1([C@H](C)[NH2+][C@@H](c2ccc(OC)cc2)C2CC2)CC[NH2+]CC1 ZINC000422939559 500320369 /nfs/dbraw/zinc/32/03/69/500320369.db2.gz MBXYKHFSFXFLES-HNAYVOBHSA-N 2 0 360.498 3.057 20 0 FGADRP C[C@H]([NH2+]C[C@@H]1CCN(c2ccc(Br)cc2)C1)[C@H]1CCC[NH2+]1 ZINC000422942054 500321137 /nfs/dbraw/zinc/32/11/37/500321137.db2.gz JYOUBAGZYGRITE-GRDNDAEWSA-N 2 0 352.320 3.006 20 0 FGADRP C[C@@H](CC(=O)Nc1ccc(OCC[N@@H+]2CC[C@H](C)C2)cc1)C1CC[NH2+]CC1 ZINC000431014525 500323352 /nfs/dbraw/zinc/32/33/52/500323352.db2.gz KAZQZVHGNYBZCP-ROUUACIJSA-N 2 0 373.541 3.372 20 0 FGADRP Brc1cccc(NCC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)c1 ZINC000422962577 500324837 /nfs/dbraw/zinc/32/48/37/500324837.db2.gz GFBLPGGRUZZMON-BRWVUGGUSA-N 2 0 352.320 3.371 20 0 FGADRP C[C@@H]1C[N@@H+](CCC2CC[NH+](CCOc3ccccc3F)CC2)C[C@H](C)O1 ZINC000426821465 500325029 /nfs/dbraw/zinc/32/50/29/500325029.db2.gz SXSAVFMZVLYXMT-HDICACEKSA-N 2 0 364.505 3.416 20 0 FGADRP CC1CC[NH+](Cc2ccccc2C[NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)CC1 ZINC000422970206 500325412 /nfs/dbraw/zinc/32/54/12/500325412.db2.gz VUYZMWAFMUHIJJ-DNVJHFABSA-N 3 0 371.569 3.165 20 0 FGADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]CC(C)(C)c1ccccc1Br ZINC000422996417 500328217 /nfs/dbraw/zinc/32/82/17/500328217.db2.gz LXQLNDYHDFNHLI-XEZPLFJOSA-N 2 0 355.320 3.069 20 0 FGADRP CCC1(C[NH2+][C@@H]2CCOC[C@H]2[C@@H](C)[NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000423004468 500329593 /nfs/dbraw/zinc/32/95/93/500329593.db2.gz PCWBDWNRMNTLLC-HLAWJBBLSA-N 3 0 359.558 3.021 20 0 FGADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]CCCOc1ncc(C(F)(F)F)cc1Cl ZINC000423014481 500330925 /nfs/dbraw/zinc/33/09/25/500330925.db2.gz PFCVYYRGJZSZML-MFKMUULPSA-N 2 0 351.800 3.240 20 0 FGADRP Cc1cc(Br)cn2cc(C[NH2+]C3CCC(C[NH3+])CC3)nc12 ZINC000423034534 500332999 /nfs/dbraw/zinc/33/29/99/500332999.db2.gz HZVIFFUJJUSKHL-UHFFFAOYSA-N 2 0 351.292 3.012 20 0 FGADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]Cc1ccc(OCc2ccccc2F)cc1 ZINC000423051786 500335854 /nfs/dbraw/zinc/33/58/54/500335854.db2.gz PAYDYGMQWVTGLX-ZRCAFCQKSA-N 2 0 358.457 3.247 20 0 FGADRP O=C([C@@H]1CCC[N@@H+]1C1CC1)N1CCC2(CC[NH+](Cc3ccccc3)C2)CC1 ZINC000426986585 500341561 /nfs/dbraw/zinc/34/15/61/500341561.db2.gz MDUZQTXMWBMKLF-NRFANRHFSA-N 2 0 367.537 3.128 20 0 FGADRP Fc1ccc(C2CC([NH2+][C@@H]3CCOC[C@H]3[C@@H]3CCC[NH2+]3)C2)cc1Cl ZINC000423094847 500341883 /nfs/dbraw/zinc/34/18/83/500341883.db2.gz CVEGNNYWDQDTNX-KKYACZQASA-N 2 0 352.881 3.472 20 0 FGADRP FC(F)O[C@@H]1CCCC[C@H]1[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423103508 500342349 /nfs/dbraw/zinc/34/23/49/500342349.db2.gz AUCPWSPGUYUIFM-LFEHRJTNSA-N 2 0 352.425 3.382 20 0 FGADRP CCC[N@H+](C)[C@H](CN[C@@H]1CCOC[C@H]1[C@@H](C)[NH3+])c1ccc(Cl)cc1 ZINC000423104678 500343058 /nfs/dbraw/zinc/34/30/58/500343058.db2.gz MKHNCYONXXCRCG-ZWQIFLOQSA-N 2 0 353.938 3.065 20 0 FGADRP CCOC(=O)C1([C@@H](C)[NH2+]C[C@H]2CCCC[C@H]2C(F)(F)F)CC[NH2+]CC1 ZINC000423121461 500345408 /nfs/dbraw/zinc/34/54/08/500345408.db2.gz IJGBRMDQNFHNBR-RBSFLKMASA-N 2 0 364.452 3.266 20 0 FGADRP C[C@H](NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2)[C@@H]1CCCC[NH2+]1 ZINC000423127660 500345835 /nfs/dbraw/zinc/34/58/35/500345835.db2.gz CGTQQNWQFLFDLL-NNWRFLSQSA-N 3 0 371.569 3.035 20 0 FGADRP FC(F)(F)[C@H](CC[NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000423140733 500347616 /nfs/dbraw/zinc/34/76/16/500347616.db2.gz ZJWLQIJQDYDNAJ-XWTMOSNGSA-N 2 0 356.432 3.469 20 0 FGADRP FC(F)(F)c1cc(C[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)ccn1 ZINC000423161524 500350026 /nfs/dbraw/zinc/35/00/26/500350026.db2.gz SFINSIFYOOMXBY-MAUKXSAKSA-N 2 0 363.383 3.446 20 0 FGADRP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000423180200 500351888 /nfs/dbraw/zinc/35/18/88/500351888.db2.gz KHWVUOGDYVVRRU-PFDCGNQRSA-N 2 0 371.569 3.034 20 0 FGADRP Clc1cc(Br)cc(C[NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000423195372 500354203 /nfs/dbraw/zinc/35/42/03/500354203.db2.gz XVYKWQMMMJXHQS-OWCLPIDISA-N 2 0 373.722 3.349 20 0 FGADRP Cc1ccccc1COc1ccc([C@@H](C)[NH2+]CCN2CC[NH2+]CC2)cc1 ZINC000423212032 500355382 /nfs/dbraw/zinc/35/53/82/500355382.db2.gz ZLPPDEJYIXLNKA-LJQANCHMSA-N 2 0 353.510 3.130 20 0 FGADRP C[C@H]([NH2+]CC[C@H]1CC[NH2+]C1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000423252720 500358874 /nfs/dbraw/zinc/35/88/74/500358874.db2.gz UJVVTODGJBOLOZ-JKSUJKDBSA-N 2 0 350.528 3.053 20 0 FGADRP [NH3+]C1(C[NH2+][C@H](c2cccc(Br)c2)C2CCOCC2)CCC1 ZINC000423341966 500365167 /nfs/dbraw/zinc/36/51/67/500365167.db2.gz YMWCVVGCQVANGK-INIZCTEOSA-N 2 0 353.304 3.388 20 0 FGADRP COCCOc1ccc([C@@H](C)[NH2+]Cc2ccc3c(c2)C[NH2+]C3)cc1OC ZINC000423384982 500368917 /nfs/dbraw/zinc/36/89/17/500368917.db2.gz LESDNEJMLLOKBR-OAHLLOKOSA-N 2 0 356.466 3.174 20 0 FGADRP CCSc1ccc([C@H](C)[NH2+]C[C@@H](N2CC[NH2+]CC2)C(F)(F)F)cc1 ZINC000423400695 500370769 /nfs/dbraw/zinc/37/07/69/500370769.db2.gz WZUCMTBKTUPKNU-XJKSGUPXSA-N 2 0 361.477 3.285 20 0 FGADRP COCC1(C[NH2+][C@@H]2CCCC[C@H]2c2ccc(OC)c(F)c2)CC[NH2+]CC1 ZINC000423407185 500371288 /nfs/dbraw/zinc/37/12/88/500371288.db2.gz LVLMADLDVFUXIA-PKOBYXMFSA-N 2 0 364.505 3.466 20 0 FGADRP C[C@H]([NH2+]C[C@@H]1NCCc2ccccc21)c1cccc(OCC[NH+](C)C)c1 ZINC000423436650 500375022 /nfs/dbraw/zinc/37/50/22/500375022.db2.gz SYIKNIVCYVIJBJ-JTSKRJEESA-N 2 0 353.510 3.165 20 0 FGADRP CCCCOc1ccc([C@H](C)[NH2+][C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)cc1 ZINC000423444116 500375302 /nfs/dbraw/zinc/37/53/02/500375302.db2.gz AVQPOBOVVHBYJT-AQKFKSFVSA-N 2 0 373.541 3.163 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)C[C@H]1CC[NH2+]C1)c1ccc(C(F)(F)F)cc1 ZINC000427269739 500375435 /nfs/dbraw/zinc/37/54/35/500375435.db2.gz NCODNCLRPKYQSD-PBHICJAKSA-N 2 0 371.447 3.204 20 0 FGADRP CC(C)(C)[C@H](C[N@@H+]1CCc2ccccc2C1)NC(=O)C[C@@H]1CCC[NH2+]CC1 ZINC000427280836 500377338 /nfs/dbraw/zinc/37/73/38/500377338.db2.gz MDTMRODQUVUFOT-NQIIRXRSSA-N 2 0 371.569 3.355 20 0 FGADRP C[C@H]([NH2+][C@@H]1CC[C@H](C[NH3+])C1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000423487697 500377886 /nfs/dbraw/zinc/37/78/86/500377886.db2.gz CUMHYTOWRKUJDQ-YQQAZPJKSA-N 2 0 350.528 3.181 20 0 FGADRP CN1CC[NH2+]C[C@H]1CN[C@@H](c1ccc(Br)cc1Cl)C1CC1 ZINC000423486303 500378048 /nfs/dbraw/zinc/37/80/48/500378048.db2.gz BINNEVVEBQHATG-XJKSGUPXSA-N 2 0 372.738 3.047 20 0 FGADRP O=C(C[C@@H]1CCC[NH2+]CC1)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000427293327 500378605 /nfs/dbraw/zinc/37/86/05/500378605.db2.gz AFHMGRSEQZUTJQ-LJQANCHMSA-N 2 0 357.542 3.459 20 0 FGADRP CCc1ccccc1[C@H]([NH3+])CN[C@@H](c1ccc(OC)cc1)[C@@H]1CCC[NH2+]1 ZINC000423513937 500381302 /nfs/dbraw/zinc/38/13/02/500381302.db2.gz VVVWNKZQKXTJBD-FSSWDIPSSA-N 2 0 353.510 3.340 20 0 FGADRP C[C@H]([NH2+]CCC1=CC[NH2+]CC1)c1ccc(F)c(I)c1 ZINC000423537310 500383645 /nfs/dbraw/zinc/38/36/45/500383645.db2.gz JTJNMCPOQFVCGJ-NSHDSACASA-N 2 0 374.241 3.391 20 0 FGADRP COc1ccc([C@H](C)[NH2+]CC2(N)CC[NH+](Cc3ccccc3)CC2)cc1F ZINC000423577733 500386342 /nfs/dbraw/zinc/38/63/42/500386342.db2.gz SREZBEMTTHJFHJ-KRWDZBQOSA-N 2 0 371.500 3.478 20 0 FGADRP C[C@H]([NH2+]C1CCN(Cc2ccccn2)CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000419696434 500390497 /nfs/dbraw/zinc/39/04/97/500390497.db2.gz VEMHSOYASDBARV-OALUTQOASA-N 2 0 356.558 3.289 20 0 FGADRP CC[C@H]([NH3+])C(=O)N(CC[NH+]1CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC000423742145 500398072 /nfs/dbraw/zinc/39/80/72/500398072.db2.gz IOFKBOPQWXMFLP-INIZCTEOSA-N 2 0 358.313 3.155 20 0 FGADRP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)N[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000431673741 500406631 /nfs/dbraw/zinc/40/66/31/500406631.db2.gz PKRAHSJBTLURSH-GIVPXCGWSA-N 2 0 372.557 3.021 20 0 FGADRP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)N[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000431673742 500406757 /nfs/dbraw/zinc/40/67/57/500406757.db2.gz PKRAHSJBTLURSH-JBACZVJFSA-N 2 0 372.557 3.021 20 0 FGADRP O=C(CC[C@H]1CCC[NH2+]1)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000423854680 500412545 /nfs/dbraw/zinc/41/25/45/500412545.db2.gz VDRXMLLMQSXDSX-HXUWFJFHSA-N 2 0 355.526 3.033 20 0 FGADRP C[C@H](CC(=O)N[C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)C1CC[NH2+]CC1 ZINC000423878447 500414946 /nfs/dbraw/zinc/41/49/46/500414946.db2.gz UMYCWVUEOMQPBS-DBXWQHBBSA-N 2 0 357.542 3.039 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)C[C@H](c1ccccc1)[NH+](C)C ZINC000431830261 500430308 /nfs/dbraw/zinc/43/03/08/500430308.db2.gz JHKPEYRKIMGKRU-BVYCBKJFSA-N 2 0 365.521 3.316 20 0 FGADRP CCC[N@H+](CC[C@@H]1CCC[NH2+]C1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000420302899 500437241 /nfs/dbraw/zinc/43/72/41/500437241.db2.gz MSJRHMPQCXJJJH-IBGZPJMESA-N 2 0 357.542 3.393 20 0 FGADRP Cc1cc(C(=O)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)ccc1Cl ZINC000424020520 500437555 /nfs/dbraw/zinc/43/75/55/500437555.db2.gz PFMBZZJGEWUBMP-UHFFFAOYSA-N 2 0 371.912 3.372 20 0 FGADRP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1ccnc(-c2ccc(Br)cc2)n1 ZINC000420309831 500439151 /nfs/dbraw/zinc/43/91/51/500439151.db2.gz FIVXDVYLNHVTOB-OLZOCXBDSA-N 2 0 361.287 3.075 20 0 FGADRP CCOC(=O)CCCC[N@H+](Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000420316472 500440051 /nfs/dbraw/zinc/44/00/51/500440051.db2.gz STZPEVLAEQSPRX-QGZVFWFLSA-N 2 0 350.528 3.426 20 0 FGADRP CC[C@H](C(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000424040432 500441570 /nfs/dbraw/zinc/44/15/70/500441570.db2.gz QLZMKCQOYNYOKQ-NRFANRHFSA-N 2 0 365.521 3.290 20 0 FGADRP Brc1ccc([C@H]2C[N@H+](CC[C@@H]3CCC[NH2+]C3)CCO2)cc1 ZINC000420328486 500442473 /nfs/dbraw/zinc/44/24/73/500442473.db2.gz ZOMPNQJZNVYGQG-WMLDXEAASA-N 2 0 353.304 3.212 20 0 FGADRP C[C@@H](c1ccccc1Br)[N@@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000420334886 500444008 /nfs/dbraw/zinc/44/40/08/500444008.db2.gz UNKZGKTVMZKSCA-UONOGXRCSA-N 2 0 353.304 3.197 20 0 FGADRP C[C@H](c1ccccc1Br)[N@@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000420334890 500444160 /nfs/dbraw/zinc/44/41/60/500444160.db2.gz UNKZGKTVMZKSCA-ZIAGYGMSSA-N 2 0 353.304 3.197 20 0 FGADRP Brc1ccccc1OCC[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000420340983 500444802 /nfs/dbraw/zinc/44/48/02/500444802.db2.gz UJRHQNHRKNGSKB-INIZCTEOSA-N 2 0 353.304 3.292 20 0 FGADRP CC(C)(C)N(Cc1ccccc1)C(=O)C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420346472 500445305 /nfs/dbraw/zinc/44/53/05/500445305.db2.gz YJFQMIPRMANHSQ-PMACEKPBSA-N 2 0 357.542 3.135 20 0 FGADRP COc1ccc([C@H](C[NH3+])CN2CCC[N@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000420362398 500447712 /nfs/dbraw/zinc/44/77/12/500447712.db2.gz ODAMJFPZOOIBGN-DENIHFKCSA-N 2 0 367.537 3.334 20 0 FGADRP [NH3+]Cc1cn([C@@H]2CCCN(Cc3csc(C4CCCCC4)n3)C2)nn1 ZINC000420379097 500450802 /nfs/dbraw/zinc/45/08/02/500450802.db2.gz MNFFJYWFLYXOQT-QGZVFWFLSA-N 2 0 360.531 3.078 20 0 FGADRP CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000431983958 500451495 /nfs/dbraw/zinc/45/14/95/500451495.db2.gz WDZLTFPVJIMBKZ-HSALFYBXSA-N 2 0 366.594 3.307 20 0 FGADRP C[NH+](C)CCN(Cc1ccccn1)C(=O)CC[C@H]([NH3+])CC1CCCCC1 ZINC000424184954 500465021 /nfs/dbraw/zinc/46/50/21/500465021.db2.gz YRFUJNJLZJLJNC-IBGZPJMESA-N 2 0 360.546 3.050 20 0 FGADRP CC[NH+]1CCN(Cc2ccccc2C[NH2+][C@@H]2C[C@@H]3C[C@H](OC)C[C@@H]3C2)CC1 ZINC000424274247 500479784 /nfs/dbraw/zinc/47/97/84/500479784.db2.gz YMVISCSHLIRNHT-MESAYYPLSA-N 2 0 371.569 3.117 20 0 FGADRP C[C@H]1CC2(C[N@@H+]1CC(=O)N(Cc1ccccc1)C(C)(C)C)CC[NH2+]CC2 ZINC000424283726 500480893 /nfs/dbraw/zinc/48/08/93/500480893.db2.gz BSCNMKFEGWGSRO-SFHVURJKSA-N 2 0 357.542 3.278 20 0 FGADRP C[C@H]1CC2(C[N@@H+]1CC(=O)Nc1cccc(C(F)(F)F)c1)CC[NH2+]CC2 ZINC000424285176 500481250 /nfs/dbraw/zinc/48/12/50/500481250.db2.gz FKHUMTLPDRJNIS-ZDUSSCGKSA-N 2 0 355.404 3.108 20 0 FGADRP C[NH2+]Cc1ccccc1NC(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000424421538 500501239 /nfs/dbraw/zinc/50/12/39/500501239.db2.gz YFGOJSOOYGQWRG-PZJWPPBQSA-N 2 0 364.493 3.144 20 0 FGADRP Cc1cc(C[NH3+])cc(NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)c1 ZINC000424427694 500503117 /nfs/dbraw/zinc/50/31/17/500503117.db2.gz QKHIZWHTQHSCJJ-OXJNMPFZSA-N 2 0 352.482 3.238 20 0 FGADRP Cc1cc(CNC(=O)N2CC[N@H+](Cc3ccccc3)C[C@H](C)C2)cc(C)n1 ZINC000420861649 500517301 /nfs/dbraw/zinc/51/73/01/500517301.db2.gz OWPBJPWXYHVPMB-KRWDZBQOSA-N 2 0 366.509 3.362 20 0 FGADRP CC[NH+]1CCC(N2CCC[N@H+](CCO[C@@H]3CCCC[C@@H]3C)CC2)CC1 ZINC000420984869 500548425 /nfs/dbraw/zinc/54/84/25/500548425.db2.gz UYUZTEGFIMYTRS-PZJWPPBQSA-N 2 0 351.579 3.074 20 0 FGADRP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCC2CC[NH+](C3CC3)CC2)C1 ZINC000428742729 500551884 /nfs/dbraw/zinc/55/18/84/500551884.db2.gz UZHACXDRARCWLK-KRWDZBQOSA-N 2 0 364.578 3.061 20 0 FGADRP Cc1ccc(C[NH+]2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)cc1C ZINC000573487115 506202973 /nfs/dbraw/zinc/20/29/73/506202973.db2.gz FZBUKJAIPVOBNQ-UHFFFAOYSA-N 2 0 357.542 3.118 20 0 FGADRP CC[C@H]1CCC[C@H]1[NH2+]CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000432797960 500565567 /nfs/dbraw/zinc/56/55/67/500565567.db2.gz GXPLGZMUOUCQAI-GHTZIAJQSA-N 2 0 357.542 3.244 20 0 FGADRP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+]2CC[C@@H](C(C)C)C2)CC1 ZINC000432833226 500574382 /nfs/dbraw/zinc/57/43/82/500574382.db2.gz VPZJWONVLYTUJV-LJQANCHMSA-N 2 0 357.542 3.054 20 0 FGADRP Cc1ccc([C@@H](C)NC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)cc1F ZINC000447223843 500578387 /nfs/dbraw/zinc/57/83/87/500578387.db2.gz TYOXKVWDEKSYJW-QGZVFWFLSA-N 2 0 366.525 3.110 20 0 FGADRP Cc1ccc(NC(=O)CC[N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)nc1 ZINC000447346659 500594461 /nfs/dbraw/zinc/59/44/61/500594461.db2.gz XRVXXAPAMKHOKK-IBGZPJMESA-N 2 0 358.530 3.307 20 0 FGADRP CCN(CCC[NH+](C)C)C(=O)NCC[NH+]1CCC2(CCCCC2)CC1 ZINC000442615961 500604656 /nfs/dbraw/zinc/60/46/56/500604656.db2.gz CAHUTPRVCYINAS-UHFFFAOYSA-N 2 0 352.567 3.016 20 0 FGADRP CC(C)N(C)C(=O)[C@H](C)[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433049488 500613535 /nfs/dbraw/zinc/61/35/35/500613535.db2.gz VFWDDZZEIRIVPT-IBGZPJMESA-N 2 0 357.542 3.230 20 0 FGADRP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1CCC(=O)N[C@@H](c1cccs1)c1ccccc1 ZINC000442783606 500625457 /nfs/dbraw/zinc/62/54/57/500625457.db2.gz QFOSKTVCFZUPQG-JXXFODFXSA-N 2 0 357.523 3.013 20 0 FGADRP CCO[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)[C@]12CCCO2 ZINC000447597679 500631394 /nfs/dbraw/zinc/63/13/94/500631394.db2.gz TUQXBJWHEPMPBW-OGXDUAGGSA-N 2 0 370.537 3.498 20 0 FGADRP [NH3+]C1CC[NH+](CCCC(=O)N2CCCC[C@@H]2c2cc3ccccc3[nH]2)CC1 ZINC000433130962 500632011 /nfs/dbraw/zinc/63/20/11/500632011.db2.gz TVVWFEXURIJWOP-OAQYLSRUSA-N 2 0 368.525 3.425 20 0 FGADRP Cc1cccc(-c2cccc(CNC(=O)CCC[NH+]3CCC([NH3+])CC3)c2)c1 ZINC000433143385 500634370 /nfs/dbraw/zinc/63/43/70/500634370.db2.gz YNAWTEFTVSLVTK-UHFFFAOYSA-N 2 0 365.521 3.482 20 0 FGADRP Cc1cc(Cl)c2c(c1)[C@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)CCCO2 ZINC000442874879 500637868 /nfs/dbraw/zinc/63/78/68/500637868.db2.gz MVRZVKIENYWOAG-GOSISDBHSA-N 2 0 365.949 3.478 20 0 FGADRP C[C@@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)c1ccc(-c2ccncc2)cc1 ZINC000442888367 500641675 /nfs/dbraw/zinc/64/16/75/500641675.db2.gz GGAHWQDRDBDRBD-GOSISDBHSA-N 2 0 352.526 3.425 20 0 FGADRP Cc1ccc(NC(=O)Cc2nc(C[N@@H+]3CCC[C@@H](CC[NH3+])C3)cs2)cc1 ZINC000443075926 500675252 /nfs/dbraw/zinc/67/52/52/500675252.db2.gz RWNXBAXXSCMZLR-INIZCTEOSA-N 2 0 372.538 3.194 20 0 FGADRP Cc1nn(C)c(C[NH2+]CCCCC[NH+]2CCCCC2)c1Br ZINC000447931858 500691881 /nfs/dbraw/zinc/69/18/81/500691881.db2.gz QKWCHLUDWLQBSW-UHFFFAOYSA-N 2 0 357.340 3.237 20 0 FGADRP C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)NCCCCC[NH+]1CCCCC1 ZINC000447964190 500697780 /nfs/dbraw/zinc/69/77/80/500697780.db2.gz PKPOITQJKZZGEW-SFHVURJKSA-N 2 0 352.567 3.062 20 0 FGADRP C[C@@H]1C[C@@H](NC(=O)[C@@]23CCC[C@@H]2C[NH+](Cc2ccccc2)C3)C[N@@H+]1C1CC1 ZINC000443275580 500703016 /nfs/dbraw/zinc/70/30/16/500703016.db2.gz PVJFGJMJYSSFJJ-ZDXOVATRSA-N 2 0 367.537 3.030 20 0 FGADRP O=C(NC[C@@H]1CCC[N@@H+]1C1CCCCC1)NC[C@H]1CCCC[NH+]1C1CC1 ZINC000437864113 500708802 /nfs/dbraw/zinc/70/88/02/500708802.db2.gz IGGOZGWSUVTAQR-UXHICEINSA-N 2 0 362.562 3.100 20 0 FGADRP CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)Nc1ccccc1CC[NH+](C)C ZINC000443379929 500716588 /nfs/dbraw/zinc/71/65/88/500716588.db2.gz NMYKKQPAXWFCTL-IBGZPJMESA-N 2 0 360.546 3.423 20 0 FGADRP CC(C)[NH+]1CCN(C2CC[NH+](Cc3c[nH]nc3-c3ccsc3)CC2)CC1 ZINC000438103100 500738191 /nfs/dbraw/zinc/73/81/91/500738191.db2.gz KGTWTFGWITYAKU-UHFFFAOYSA-N 2 0 373.570 3.129 20 0 FGADRP Cc1cccc(CNC(=O)C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)c1 ZINC000443588019 500742518 /nfs/dbraw/zinc/74/25/18/500742518.db2.gz CKXGKKRPKKFZGC-UHFFFAOYSA-N 2 0 357.542 3.199 20 0 FGADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)NC[C@@H]2CCC[NH+]2C2CCCCC2)C1 ZINC000438159872 500747819 /nfs/dbraw/zinc/74/78/19/500747819.db2.gz UMDBZKIEPNYZOT-QUCCMNQESA-N 2 0 364.578 3.157 20 0 FGADRP C[C@H]1CC[N@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C[C@H](C)C1 ZINC000443636332 500747999 /nfs/dbraw/zinc/74/79/99/500747999.db2.gz AYQCVKKONGTELB-RBUKOAKNSA-N 2 0 357.542 3.267 20 0 FGADRP C[C@@H](CCCOc1ccccc1C(N)=O)[NH2+]C[C@@H]1N(C)CCCC1(C)C ZINC000448367872 500754164 /nfs/dbraw/zinc/75/41/64/500754164.db2.gz RWBLXBAWDAOUFD-LPHOPBHVSA-N 2 0 361.530 3.043 20 0 FGADRP CC(C)[C@H]1CC[N@@H+]([C@@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000438482296 500790946 /nfs/dbraw/zinc/79/09/46/500790946.db2.gz KSTXEWDGBMMXJK-ICSRJNTNSA-N 2 0 357.542 3.134 20 0 FGADRP C[C@H](C(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000444024658 500793922 /nfs/dbraw/zinc/79/39/22/500793922.db2.gz XQWVJJKKSHFBEO-GUDVDZBRSA-N 2 0 357.542 3.371 20 0 FGADRP CC(C)(CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)[NH+]1CCc2ccccc2C1 ZINC000438559659 500801777 /nfs/dbraw/zinc/80/17/77/500801777.db2.gz RVSHGZZPMSCDKL-OAQYLSRUSA-N 2 0 369.553 3.347 20 0 FGADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1)c1ccccc1 ZINC000434348020 500829526 /nfs/dbraw/zinc/82/95/26/500829526.db2.gz CXVJSNWVLCKYJQ-XLIONFOSSA-N 2 0 372.557 3.432 20 0 FGADRP CC1(C(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)CC[NH+](Cc2ccccc2)CC1 ZINC000434440947 500843388 /nfs/dbraw/zinc/84/33/88/500843388.db2.gz FAGZYMMFHACGHX-NRFANRHFSA-N 2 0 369.553 3.422 20 0 FGADRP CCN1CC[NH+](CCCC[NH2+]C2CCC(OC3CCCC3)CC2)CC1 ZINC000449080269 500919254 /nfs/dbraw/zinc/91/92/54/500919254.db2.gz UTABYQIQGJCMEE-UHFFFAOYSA-N 2 0 351.579 3.264 20 0 FGADRP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]C[C@H](O)Cc2ccccc2)CC1 ZINC000449125345 500930610 /nfs/dbraw/zinc/93/06/10/500930610.db2.gz JCDAJGFBZGILMM-AUSIDOKSSA-N 2 0 352.522 3.275 20 0 FGADRP C[C@@H]1C[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C[N@@H+]1Cc1ccccc1 ZINC000439789877 500939568 /nfs/dbraw/zinc/93/95/68/500939568.db2.gz RWNJGMSJDZMMRA-LMNJBCLMSA-N 2 0 355.526 3.173 20 0 FGADRP C[C@H](COc1ccc(Cl)c(Cl)c1)[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000449220324 500950982 /nfs/dbraw/zinc/95/09/82/500950982.db2.gz CQVHPFQGLRWDEJ-CQSZACIVSA-N 2 0 374.356 3.376 20 0 FGADRP C[NH+](C)CCOc1cc(C[NH2+]C2CCC(OC3CCCC3)CC2)ccn1 ZINC000449222379 500951210 /nfs/dbraw/zinc/95/12/10/500951210.db2.gz MDUSZBOSQDWOJC-UHFFFAOYSA-N 2 0 361.530 3.382 20 0 FGADRP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+][C@H](CCO)C2CCOCC2)CC1 ZINC000449244699 500956207 /nfs/dbraw/zinc/95/62/07/500956207.db2.gz VEESJKMVSAXDIQ-LJQANCHMSA-N 2 0 354.579 3.433 20 0 FGADRP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1cnn(Cc2ccc(C(F)(F)F)cc2)c1 ZINC000435373944 500962006 /nfs/dbraw/zinc/96/20/06/500962006.db2.gz OLKKONUPICHZOI-ZFWWWQNUSA-N 2 0 352.404 3.119 20 0 FGADRP CCN(CCC[NH+]1CCCC1)C[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000449324193 500977457 /nfs/dbraw/zinc/97/74/57/500977457.db2.gz DDEUGMYJQHZSHC-KRWDZBQOSA-N 2 0 352.544 3.001 20 0 FGADRP Cc1ncsc1C[N@H+](C[C@@H](C)CC1CCOCC1)C[C@@H]1CC[NH2+]C1 ZINC000435449754 500980115 /nfs/dbraw/zinc/98/01/15/500980115.db2.gz VTOKXHKOJGXVFU-MAUKXSAKSA-N 2 0 351.560 3.316 20 0 FGADRP COCC1(C[NH2+]C2CC[NH+]([C@@H](C)Cc3ccccc3)CC2)CCOCC1 ZINC000449334755 500980418 /nfs/dbraw/zinc/98/04/18/500980418.db2.gz GNXFNBMUYXEKOH-IBGZPJMESA-N 2 0 360.542 3.115 20 0 FGADRP CCN(CC(=O)Nc1cc(C)c(Cl)cc1OC)[C@H]1CCC[NH2+]CC1 ZINC000435630668 501004279 /nfs/dbraw/zinc/00/42/79/501004279.db2.gz YIBWKBYOQYNVDQ-AWEZNQCLSA-N 2 0 353.894 3.060 20 0 FGADRP CCC[NH+]1CCN(c2ccccc2C[N@@H+]2CC[C@H](OC)C(C)(C)C2)CC1 ZINC000449498058 501018279 /nfs/dbraw/zinc/01/82/79/501018279.db2.gz JQRKWWMZHMUJOD-NRFANRHFSA-N 2 0 359.558 3.466 20 0 FGADRP COc1ccc(Cn2nc(C)c(CNC3C[C@H]4CC[C@@H](C3)[N@H+]4C)c2C)cc1 ZINC000449560175 501033934 /nfs/dbraw/zinc/03/39/34/501033934.db2.gz HERCNFTXLHABFW-IHWFROFDSA-N 2 0 368.525 3.272 20 0 FGADRP CCOC(=O)[C@@H]1CCC[C@@H]1[NH2+]C1CC[NH+]([C@H](C)Cc2ccccc2)CC1 ZINC000449581474 501037659 /nfs/dbraw/zinc/03/76/59/501037659.db2.gz AJXJYVJJDXMPSG-UIFIKXQLSA-N 2 0 358.526 3.403 20 0 FGADRP FC(F)(F)CN1C[C@@H](c2ccccc2)[C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000449756223 501077548 /nfs/dbraw/zinc/07/75/48/501077548.db2.gz OYVXRZBDSKVLSI-AKHDSKFASA-N 2 0 367.459 3.233 20 0 FGADRP CC(C)[NH+]1CCC(N2CC[NH+](CCO[C@@H]3CCCC[C@H]3C)CC2)CC1 ZINC000441043154 501079013 /nfs/dbraw/zinc/07/90/13/501079013.db2.gz SQVOUINHHZBKHR-TZIWHRDSSA-N 2 0 351.579 3.072 20 0 FGADRP C[NH+](C)CCc1ccccc1NC(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000446562144 501133323 /nfs/dbraw/zinc/13/33/23/501133323.db2.gz ANVBYZYHEUFDKE-UHFFFAOYSA-N 2 0 354.498 3.174 20 0 FGADRP CC(C)[C@H](COCc1ccccc1)[NH2+]C1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000446936593 501183673 /nfs/dbraw/zinc/18/36/73/501183673.db2.gz NVWLHWXSNNOEFX-FDFHNCONSA-N 2 0 360.542 3.195 20 0 FGADRP O=C1CCCN1CCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000453098663 501268397 /nfs/dbraw/zinc/26/83/97/501268397.db2.gz VOAPIFZKWREIID-HBMCJLEFSA-N 2 0 355.526 3.032 20 0 FGADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N(C)[C@@H]1CC[NH+](C(C)C)C1 ZINC000457646138 501276240 /nfs/dbraw/zinc/27/62/40/501276240.db2.gz JNDWFCOKFKMOCX-HXUWFJFHSA-N 2 0 360.546 3.151 20 0 FGADRP Cc1noc(CCC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)n1 ZINC000453156873 501280843 /nfs/dbraw/zinc/28/08/43/501280843.db2.gz HXOUHMFYFVGOEM-ZCNNSNEGSA-N 2 0 354.498 3.343 20 0 FGADRP C[C@@H](CCCc1cccnc1)[NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000453196995 501289333 /nfs/dbraw/zinc/28/93/33/501289333.db2.gz MPKROEZHZMFDEU-AVRDEDQJSA-N 2 0 353.510 3.149 20 0 FGADRP CCn1cccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)c1=O ZINC000453208533 501291685 /nfs/dbraw/zinc/29/16/85/501291685.db2.gz BYLUZACOOSBVIP-YPAWHYETSA-N 2 0 365.521 3.401 20 0 FGADRP Cn1cccc1CN1CCC([NH+]2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC000453574831 501351510 /nfs/dbraw/zinc/35/15/10/501351510.db2.gz LWKYWJBARGPMDG-UHFFFAOYSA-N 2 0 372.944 3.465 20 0 FGADRP Cc1cc(F)ccc1[C@@H]1CCCN1CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000451964979 501409415 /nfs/dbraw/zinc/40/94/15/501409415.db2.gz CIDWJKACMDGAIG-FQEVSTJZSA-N 2 0 361.505 3.260 20 0 FGADRP CC(C)[NH+]1CCC(NC(=O)CN2CCC[C@H]2c2ccc(F)cc2F)CC1 ZINC000451967374 501410394 /nfs/dbraw/zinc/41/03/94/501410394.db2.gz GZBKIROMUHUOFJ-IBGZPJMESA-N 2 0 365.468 3.091 20 0 FGADRP C[NH+](C)[C@@H]1CCc2cc(NC(=O)N3CCC([NH+]4CC=CC4)CC3)ccc21 ZINC000455928993 501418582 /nfs/dbraw/zinc/41/85/82/501418582.db2.gz NZDSIRMZGORVML-HXUWFJFHSA-N 2 0 354.498 3.104 20 0 FGADRP C[C@@H](CNC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C)C[NH+]1CCCCC1 ZINC000455938495 501420974 /nfs/dbraw/zinc/42/09/74/501420974.db2.gz SSPCJNILCHWNME-JXFKEZNVSA-N 2 0 358.530 3.479 20 0 FGADRP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)NCC(C)(C)[NH2+][C@@H](C)c2ccccc2)C1 ZINC000458379600 501431748 /nfs/dbraw/zinc/43/17/48/501431748.db2.gz SUSSBXZQQYVMAZ-PKOBYXMFSA-N 2 0 360.546 3.240 20 0 FGADRP CC[C@@H]1C[N@H+](CC)CCN1C(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000458396840 501435567 /nfs/dbraw/zinc/43/55/67/501435567.db2.gz DBLUEYFVLXKHLV-WIYYLYMNSA-N 2 0 372.557 3.338 20 0 FGADRP C[NH+](C)CCOc1ccccc1C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000456287220 501488685 /nfs/dbraw/zinc/48/86/85/501488685.db2.gz VVHVDKFQPUEMHS-HXUWFJFHSA-N 2 0 367.493 3.428 20 0 FGADRP C[C@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000456317120 501496272 /nfs/dbraw/zinc/49/62/72/501496272.db2.gz GFHIXBCRDZIBHF-AMZGXZFVSA-N 2 0 369.553 3.071 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)NC2CC[NH+](C3CCC3)CC2)C1 ZINC000454363420 501523713 /nfs/dbraw/zinc/52/37/13/501523713.db2.gz LNHRGHVPSVZHRD-CALCHBBNSA-N 2 0 364.578 3.059 20 0 FGADRP Cc1ccccc1[C@H]([C@@H](C)NC(=O)N1CC[N@@H+](C2CC2)C[C@H](C)C1)[NH+](C)C ZINC000458763180 501525631 /nfs/dbraw/zinc/52/56/31/501525631.db2.gz IIQOAELESJXOOA-CDXJDZJCSA-N 2 0 372.557 3.112 20 0 FGADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)N[C@@H](CC(C)C)C[NH+]2CCCC2)C[C@@H]1C ZINC000458933509 501561859 /nfs/dbraw/zinc/56/18/59/501561859.db2.gz IRAAEPDNRJEFHQ-GBESFXJTSA-N 2 0 352.567 3.011 20 0 FGADRP C[NH+](C)CC1CCN(C(=O)NCC2([N@H+](C)Cc3ccccc3)CCC2)CC1 ZINC000458985217 501571365 /nfs/dbraw/zinc/57/13/65/501571365.db2.gz XAKPEKNSRVKKNM-UHFFFAOYSA-N 2 0 372.557 3.024 20 0 FGADRP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)N2CCC(c3ncc[nH]3)CC2)C1 ZINC000588285644 506261159 /nfs/dbraw/zinc/26/11/59/506261159.db2.gz WSRCFSQTRJZGFY-HZPDHXFCSA-N 2 0 361.534 3.055 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)NC1CC[NH+](C2CCC2)CC1)CC(C)C ZINC000454605253 501589827 /nfs/dbraw/zinc/58/98/27/501589827.db2.gz CEVYTCMGLWMCJE-IBGZPJMESA-N 2 0 352.567 3.059 20 0 FGADRP CC[NH+]1CCC(NC(=O)N2CC[NH+](C(C)(C)CC(C)(C)C)CC2)CC1 ZINC000454617504 501593533 /nfs/dbraw/zinc/59/35/33/501593533.db2.gz LDQMLSLQDOXYBW-UHFFFAOYSA-N 2 0 352.567 3.013 20 0 FGADRP C[NH+]1CCC(N(Cc2ccccc2)C(=O)NCC[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000459263205 501621495 /nfs/dbraw/zinc/62/14/95/501621495.db2.gz MCIVCLWCSRNVNY-FQEVSTJZSA-N 2 0 372.557 3.024 20 0 FGADRP C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)NCC[C@@H]1CCC[NH+](C)C1 ZINC000459271212 501622547 /nfs/dbraw/zinc/62/25/47/501622547.db2.gz VWYGNNJCALUANY-FPOVZHCZSA-N 2 0 372.557 3.024 20 0 FGADRP O=c1cc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)nc(-c2ccccc2)[nH]1 ZINC000459297478 501626990 /nfs/dbraw/zinc/62/69/90/501626990.db2.gz JGYRDLLYHPLCFC-UHFFFAOYSA-N 2 0 352.482 3.157 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)NCCCCC[NH+]1CCCC1 ZINC000454788490 501629857 /nfs/dbraw/zinc/62/98/57/501629857.db2.gz BCBJHIGGCRQWDQ-CTNGQTDRSA-N 2 0 372.557 3.072 20 0 FGADRP Cc1cc(C)c(CNC(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000454866384 501645848 /nfs/dbraw/zinc/64/58/48/501645848.db2.gz FDCNPMBHCQLLRB-LJQANCHMSA-N 2 0 352.482 3.020 20 0 FGADRP Cn1cncc1CCN1CCc2c(Br)ccc(Cl)c2C1 ZINC000459400946 501646983 /nfs/dbraw/zinc/64/69/83/501646983.db2.gz LJZDMWXXCFKBDJ-UHFFFAOYSA-N 2 0 354.679 3.437 20 0 FGADRP CC[N@H+](CCC1CC[NH+](Cc2cc(=O)[nH]c(C3CC3)n2)CC1)CC1CC1 ZINC000459471924 501659477 /nfs/dbraw/zinc/65/94/77/501659477.db2.gz OAYCLYXRPSJAMG-UHFFFAOYSA-N 2 0 358.530 3.394 20 0 FGADRP COc1cc(C[NH2+]CC[C@@H]2CCC[N@H+](C)C2)ccc1OCc1ccncc1 ZINC000459723809 501704544 /nfs/dbraw/zinc/70/45/44/501704544.db2.gz CXDUUZBHPUVHAE-SFHVURJKSA-N 2 0 369.509 3.491 20 0 FGADRP CC(C)(C[NH+]1CCCC1)NC(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000457477324 501706371 /nfs/dbraw/zinc/70/63/71/501706371.db2.gz BKWWNINUHIRWGW-INIZCTEOSA-N 2 0 364.559 3.059 20 0 FGADRP Cc1ccccc1C[NH+]1CCC(NC(=O)C[NH2+]C2(C3CCC3)CCC2)CC1 ZINC000459773772 501712182 /nfs/dbraw/zinc/71/21/82/501712182.db2.gz PNIOYBDNHXOKPM-UHFFFAOYSA-N 2 0 369.553 3.388 20 0 FGADRP Cc1cc(Br)cn2c(C[NH2+]CC[C@@H]3CCC[N@@H+](C)C3)cnc12 ZINC000459775980 501712806 /nfs/dbraw/zinc/71/28/06/501712806.db2.gz JTIRNBWZJVXCGW-AWEZNQCLSA-N 2 0 365.319 3.227 20 0 FGADRP CC[NH+](CC)Cc1ccccc1CNC(=O)N1CC[N@@H+](C2CC2)C[C@@H](C)C1 ZINC000457518246 501715253 /nfs/dbraw/zinc/71/52/53/501715253.db2.gz DJZZYQBYUSNOAJ-GOSISDBHSA-N 2 0 372.557 3.154 20 0 FGADRP CCCC[N@H+](C)C[C@H](C)NC(=O)NC[C@@H](c1ccc(C)o1)[NH+]1CCCC1 ZINC000460154927 501743299 /nfs/dbraw/zinc/74/32/99/501743299.db2.gz LRXYCNREEHCASG-WMZOPIPTSA-N 2 0 364.534 3.145 20 0 FGADRP CCCN(CCC[NH+](C)C)C(=O)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000470663523 501758456 /nfs/dbraw/zinc/75/84/56/501758456.db2.gz PSVZSEVGIHISJQ-IBGZPJMESA-N 2 0 363.521 3.228 20 0 FGADRP CC[NH+]1CCN(CCC[NH2+][C@@H](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000467295239 501762244 /nfs/dbraw/zinc/76/22/44/501762244.db2.gz KZHFMXGJUIXWCN-INIZCTEOSA-N 2 0 357.464 3.254 20 0 FGADRP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(I)c(C)c2)[C@H](C)C1 ZINC000467373661 501779671 /nfs/dbraw/zinc/77/96/71/501779671.db2.gz OOSIDGJZQXEOPN-CZUORRHYSA-N 2 0 372.294 3.420 20 0 FGADRP CC(C)[C@@H](CNC(=O)CC[C@@H]1CCCC[N@@H+]1C)[NH+]1CCc2ccccc2C1 ZINC000481498262 501792917 /nfs/dbraw/zinc/79/29/17/501792917.db2.gz RZTDBLXWRHUFNS-FCHUYYIVSA-N 2 0 371.569 3.450 20 0 FGADRP CCc1cccc(Cl)c1C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000474346637 501799395 /nfs/dbraw/zinc/79/93/95/501799395.db2.gz JKULPPLOTWQIAN-UHFFFAOYSA-N 2 0 358.917 3.339 20 0 FGADRP C[NH+](C)[C@H](CNC(=O)C[N@@H+]1CCC[C@H]1Cc1ccccc1)c1ccccc1 ZINC000460373372 501807797 /nfs/dbraw/zinc/80/77/97/501807797.db2.gz DUXVVOJYNNTIDW-FCHUYYIVSA-N 2 0 365.521 3.113 20 0 FGADRP COC(=O)c1csc(-c2cccc(C[NH2+][C@@H]3CC[N@H+](C)C[C@@H]3C)c2)n1 ZINC000477860061 501811620 /nfs/dbraw/zinc/81/16/20/501811620.db2.gz LYYFUCZJKPAHHX-XJKSGUPXSA-N 2 0 359.495 3.027 20 0 FGADRP COC(=O)c1csc(-c2cccc(C[NH2+][C@H]3CC[N@H+](C)C[C@@H]3C)c2)n1 ZINC000477860053 501811764 /nfs/dbraw/zinc/81/17/64/501811764.db2.gz LYYFUCZJKPAHHX-BBRMVZONSA-N 2 0 359.495 3.027 20 0 FGADRP CCOc1ccc(NC(=O)CC[N@@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)cc1 ZINC000485426594 501818042 /nfs/dbraw/zinc/81/80/42/501818042.db2.gz QFRZSHJWMKSJLA-GOSISDBHSA-N 2 0 359.514 3.078 20 0 FGADRP CCCCNC(=O)[C@@H](C)[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000485472739 501830782 /nfs/dbraw/zinc/83/07/82/501830782.db2.gz XDVXTOFFWKBHFN-LJQANCHMSA-N 2 0 357.542 3.279 20 0 FGADRP CC[C@H](C)NC(=O)[C@@H](C)[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000485479899 501833160 /nfs/dbraw/zinc/83/31/60/501833160.db2.gz WZZYCIHVWHPIKD-RBUKOAKNSA-N 2 0 357.542 3.278 20 0 FGADRP CCCC[N@H+](C)C[C@H](C)NC(=O)N[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000460481124 501835001 /nfs/dbraw/zinc/83/50/01/501835001.db2.gz RJGHQIOATYVVMK-IRFCIJBXSA-N 2 0 374.573 3.459 20 0 FGADRP O=C(NC1CC([NH+]2CCCCC2)C1)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000477961754 501841112 /nfs/dbraw/zinc/84/11/12/501841112.db2.gz FMPKSZADHPFTFE-CBNMVNINSA-N 2 0 355.526 3.174 20 0 FGADRP CCC[N@H+](CC)C[C@H](C)NC(=O)N[C@H](C)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000460647449 501885268 /nfs/dbraw/zinc/88/52/68/501885268.db2.gz HULRIERMGNHXIF-KSZLIROESA-N 2 0 352.567 3.059 20 0 FGADRP C[NH+](C)CCOc1ccc(CC[NH2+][C@@H]2CCC[C@@H]([C@@H]3CCOC3)C2)cc1 ZINC000464061235 501886830 /nfs/dbraw/zinc/88/68/30/501886830.db2.gz AUDMMRLXMQLYMO-NJDAHSKKSA-N 2 0 360.542 3.354 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H](NC[C@@H](c2ccc(C)cc2)[NH+](C)C)[C@@H](C)C1 ZINC000481952352 501926950 /nfs/dbraw/zinc/92/69/50/501926950.db2.gz ULHJETRTXULICO-BVSLBCMMSA-N 2 0 361.574 3.324 20 0 FGADRP CC(C)[C@H](C(=O)NCc1ccccc1C[NH+]1C[C@H](C)C[C@@H](C)C1)[NH+](C)C ZINC000471216762 501958795 /nfs/dbraw/zinc/95/87/95/501958795.db2.gz RRTITAWTJCUXPX-DBXWQHBBSA-N 2 0 359.558 3.367 20 0 FGADRP CC[NH+](CC)[C@H](C(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1)c1ccccc1 ZINC000464352763 501964167 /nfs/dbraw/zinc/96/41/67/501964167.db2.gz CYOXGCKCMLTPAC-SFTDATJTSA-N 2 0 357.542 3.450 20 0 FGADRP [NH3+]Cc1cc(NC(=O)c2ccc3c(c2)CC[NH2+]CC3)cc(C(F)(F)F)c1 ZINC000485882240 501973745 /nfs/dbraw/zinc/97/37/45/501973745.db2.gz PUDRPAWKPOTXQG-UHFFFAOYSA-N 2 0 363.383 3.105 20 0 FGADRP Cc1cccc2c1CC[C@@H]2[NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000482113796 501978337 /nfs/dbraw/zinc/97/83/37/501978337.db2.gz ZFQUAXHPYMDIRM-QFIPXVFZSA-N 2 0 350.510 3.179 20 0 FGADRP CC[NH+]1CCC(NC(=O)C[N@@H+]2C[C@H](c3ccccc3)[C@H]3CCCC[C@H]32)CC1 ZINC000485910715 501985043 /nfs/dbraw/zinc/98/50/43/501985043.db2.gz XRQWYCGKNDKLIK-YPAWHYETSA-N 2 0 369.553 3.245 20 0 FGADRP [NH3+]C[C@H](Cc1ccccc1)[C@H]1CCCC[N@@H+]1CCC(=O)Nc1cccnc1 ZINC000478513528 502005618 /nfs/dbraw/zinc/00/56/18/502005618.db2.gz BZRBJHNWDPWXKA-PZJWPPBQSA-N 2 0 366.509 3.082 20 0 FGADRP CN(C(=O)NCC(C)(C)[NH+]1CCCCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475020052 502023848 /nfs/dbraw/zinc/02/38/48/502023848.db2.gz XFQRGFCIZWBOOD-HXUWFJFHSA-N 2 0 372.557 3.167 20 0 FGADRP CC(C)[NH+](CCNC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(C)C ZINC000475020608 502023917 /nfs/dbraw/zinc/02/39/17/502023917.db2.gz YTLKFDQJZZKLLR-HXUWFJFHSA-N 2 0 360.546 3.021 20 0 FGADRP CCCN(CCC[NH+](C)C)C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000468425502 502055953 /nfs/dbraw/zinc/05/59/53/502055953.db2.gz AMQHGDCLXPUAIM-UHFFFAOYSA-N 2 0 374.573 3.067 20 0 FGADRP COc1ccc(C2CCC([NH2+][C@@H](C)CCN3CC[NH+](C)CC3)CC2)cc1 ZINC000471596668 502080510 /nfs/dbraw/zinc/08/05/10/502080510.db2.gz LVMZLBWRVBMQHD-JSOIOWGOSA-N 2 0 359.558 3.337 20 0 FGADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1ccc(-c2ccncc2)cc1 ZINC000471604656 502084417 /nfs/dbraw/zinc/08/44/17/502084417.db2.gz YSXJLYWUNIMJQZ-MOPGFXCFSA-N 2 0 352.526 3.425 20 0 FGADRP C[C@@H](CCCCN1C(=O)c2ccccc2C1=O)[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000471608254 502085149 /nfs/dbraw/zinc/08/51/49/502085149.db2.gz BLTRBBQDZNZMBN-KRWDZBQOSA-N 2 0 371.525 3.163 20 0 FGADRP Cc1cccc(NC[C@H]2CC[N@@H+]([C@@H]3CCCN(CC(C)(C)C)C3=O)C2)[nH+]1 ZINC000461394893 502091930 /nfs/dbraw/zinc/09/19/30/502091930.db2.gz QMWWXYOCOMRTDM-QZTJIDSGSA-N 2 0 358.530 3.161 20 0 FGADRP CC(C)[C@@H](C(=O)NCc1ccccc1C[NH+]1C[C@H](C)C[C@@H](C)C1)[NH+](C)C ZINC000464778189 502092179 /nfs/dbraw/zinc/09/21/79/502092179.db2.gz RRTITAWTJCUXPX-OPYAIIAOSA-N 2 0 359.558 3.367 20 0 FGADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000478808054 502092727 /nfs/dbraw/zinc/09/27/27/502092727.db2.gz UFGCBYUNXXYJHE-WCRBZPEASA-N 2 0 372.557 3.293 20 0 FGADRP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@@H+]2C[C@H](C)CC[C@H]2C)CC1 ZINC000464810743 502101025 /nfs/dbraw/zinc/10/10/25/502101025.db2.gz KYZOGDODFZXKNY-UYAOXDASSA-N 2 0 357.542 3.150 20 0 FGADRP CCSc1cccc(C(=O)N(CC[NH+](C)C)C[C@@H]2CCC[N@@H+]2CC)c1 ZINC000486269979 502106226 /nfs/dbraw/zinc/10/62/26/502106226.db2.gz LFBOANMYOMFCHV-SFHVURJKSA-N 2 0 363.571 3.287 20 0 FGADRP NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+][C@H]2CCc3c2ccc(Cl)c3Cl)C1 ZINC000482541858 502106582 /nfs/dbraw/zinc/10/65/82/502106582.db2.gz HHTAAFATVPADDF-WBMJQRKESA-N 2 0 370.324 3.158 20 0 FGADRP CC[C@@H](C(=O)N[C@H](C[NH+]1CCCC1)c1ccc(OC)cc1)[NH+](CC)CC ZINC000461501510 502132104 /nfs/dbraw/zinc/13/21/04/502132104.db2.gz BQDTUMDPFBYIFU-UXHICEINSA-N 2 0 361.530 3.069 20 0 FGADRP C[C@H](CC(=O)N1CCCC[C@@H]1[C@@H](C[NH3+])Cc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC000471790052 502137510 /nfs/dbraw/zinc/13/75/10/502137510.db2.gz FZCWGEQJPLNJDL-FVTFTPSCSA-N 2 0 371.569 3.211 20 0 FGADRP Cc1nn(-c2cc[nH+]cc2)cc1CN1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000475334813 502139235 /nfs/dbraw/zinc/13/92/35/502139235.db2.gz VJJNFYOJWBBZBE-SZPZYZBQSA-N 2 0 373.504 3.140 20 0 FGADRP CC[NH+]1CCN(c2ccccc2C[N@@H+]2CCCC[C@H](CCOC)C2)CC1 ZINC000468691656 502148064 /nfs/dbraw/zinc/14/80/64/502148064.db2.gz YGFFPOPMJYEZMG-HXUWFJFHSA-N 2 0 359.558 3.467 20 0 FGADRP [NH3+]C[C@H](C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1)c1ccc(F)cc1 ZINC000479182675 502185110 /nfs/dbraw/zinc/18/51/10/502185110.db2.gz HFNORDDHTUFGBL-NRFANRHFSA-N 2 0 369.484 3.170 20 0 FGADRP C[NH+]1CCN(c2cc(C[NH2+][C@H]3CCc4ccc(Cl)cc43)ccn2)CC1 ZINC000479211529 502193902 /nfs/dbraw/zinc/19/39/02/502193902.db2.gz CPFQDWBMGFWUGT-IBGZPJMESA-N 2 0 356.901 3.264 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N[C@H](C)C[NH+]1CCCCCC1)c1ccco1 ZINC000482900092 502211676 /nfs/dbraw/zinc/21/16/76/502211676.db2.gz BBYCYEOVDRVLCC-QZTJIDSGSA-N 2 0 364.534 3.226 20 0 FGADRP CC(C)(CNC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1)C[NH+]1CCCC1 ZINC000482946697 502224605 /nfs/dbraw/zinc/22/46/05/502224605.db2.gz LMOQNGCNTUQGNL-FQEVSTJZSA-N 2 0 357.542 3.279 20 0 FGADRP CC(C)(CNC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1)C[NH+]1CCCC1 ZINC000482966917 502230471 /nfs/dbraw/zinc/23/04/71/502230471.db2.gz WTSFKLNNEQZTGH-HXUWFJFHSA-N 2 0 357.542 3.137 20 0 FGADRP C[C@@H]1C[NH+](Cc2ccc(C[NH2+][C@H]3CCCc4nn(C)cc43)cc2)C[C@@H](C)O1 ZINC000479360601 502235536 /nfs/dbraw/zinc/23/55/36/502235536.db2.gz METACXMOSHKCMT-LZJOCLMNSA-N 2 0 368.525 3.197 20 0 FGADRP C[NH+]1CCN(CCC(C)(C)[NH2+]Cc2sccc2Br)CC1 ZINC000472128220 502241458 /nfs/dbraw/zinc/24/14/58/502241458.db2.gz NOOGOMMNTIHCIS-UHFFFAOYSA-N 2 0 360.365 3.016 20 0 FGADRP C[C@H](CCCCN1C(=O)c2ccccc2C1=O)[NH2+]CCC1CC[NH+](C)CC1 ZINC000472144674 502246891 /nfs/dbraw/zinc/24/68/91/502246891.db2.gz VHPQKMUCPSTCQE-QGZVFWFLSA-N 2 0 371.525 3.163 20 0 FGADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)NC[C@@H]1CC[N@H+](CC(C)C)C1 ZINC000465397650 502250773 /nfs/dbraw/zinc/25/07/73/502250773.db2.gz SVJSPTMLSWNWSP-UFYCRDLUSA-N 2 0 366.594 3.164 20 0 FGADRP CC[N@@H+]1CC[C@@H]([NH2+]CC2(c3cc(C)ccc3OC)CCOCC2)[C@@H](C)C1 ZINC000469020299 502266566 /nfs/dbraw/zinc/26/65/66/502266566.db2.gz MTJLJLRNAQLIEX-AZUAARDMSA-N 2 0 360.542 3.372 20 0 FGADRP C[C@@H]1C[C@@H](C)[C@@H](C)[N@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000475725137 502266744 /nfs/dbraw/zinc/26/67/44/502266744.db2.gz XYMSWCQLKGLSGI-GUDVDZBRSA-N 2 0 357.542 3.265 20 0 FGADRP C[C@H]1CCCN1C(=O)CC[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000475727571 502267634 /nfs/dbraw/zinc/26/76/34/502267634.db2.gz FKYHVRFWHBNEAI-REWPJTCUSA-N 2 0 369.553 3.376 20 0 FGADRP CC(C)[N@@H+](C)C[C@H](C)NC(=O)N(C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000462016566 502275898 /nfs/dbraw/zinc/27/58/98/502275898.db2.gz RKNIZDIFIGXRKI-IRFCIJBXSA-N 2 0 374.573 3.410 20 0 FGADRP C[N@H+](CCCNC(=O)N[C@@H]1CC[NH+](CC2CCCC2)C1)C1CCCCC1 ZINC000465517914 502285304 /nfs/dbraw/zinc/28/53/04/502285304.db2.gz CLVMMBQCZFFKGS-LJQANCHMSA-N 2 0 364.578 3.205 20 0 FGADRP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@@H](C)[NH+](CC)CC ZINC000465536486 502296463 /nfs/dbraw/zinc/29/64/63/502296463.db2.gz DXUWZAHMDCKHQA-CTNGQTDRSA-N 2 0 374.573 3.270 20 0 FGADRP C(=C/c1ccncc1)\C[NH2+]CCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000486931719 502307001 /nfs/dbraw/zinc/30/70/01/502307001.db2.gz BFLUBOSWFNRRFJ-RMKNXTFCSA-N 2 0 364.537 3.282 20 0 FGADRP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)N[C@H]1CC[NH+](CC2CCCC2)C1 ZINC000465608035 502323973 /nfs/dbraw/zinc/32/39/73/502323973.db2.gz UCPZVZBCQWIVLZ-ICSRJNTNSA-N 2 0 364.578 3.205 20 0 FGADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)N2CC([NH+](C)Cc3ccccc3)C2)C1 ZINC000479672879 502339810 /nfs/dbraw/zinc/33/98/10/502339810.db2.gz IQGLZBPNXMYCLF-LJQANCHMSA-N 2 0 372.557 3.024 20 0 FGADRP O=C(N[C@H]1CCC[N@H+](CCC2CC[NH2+]CC2)C1)c1cc2ccccc2o1 ZINC000479682012 502343335 /nfs/dbraw/zinc/34/33/35/502343335.db2.gz DMOPVWSNBKYCDF-SFHVURJKSA-N 2 0 355.482 3.017 20 0 FGADRP C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000479690394 502344837 /nfs/dbraw/zinc/34/48/37/502344837.db2.gz NURPSWORCOPWDK-YRPNKDGESA-N 2 0 364.578 3.013 20 0 FGADRP CCCN(CC[NH+]1CCCC1)C(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000479710462 502352727 /nfs/dbraw/zinc/35/27/27/502352727.db2.gz PZLDBJMJHMUENP-LJQANCHMSA-N 2 0 352.567 3.016 20 0 FGADRP CCC[N@H+](C)CC(=O)N[C@@H](c1ccc(F)c(F)c1)C(C)(C)[NH+]1CCCC1 ZINC000487085528 502353435 /nfs/dbraw/zinc/35/34/35/502353435.db2.gz LUIXOAWTXAVPJR-IBGZPJMESA-N 2 0 367.484 3.338 20 0 FGADRP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+]2CCC(C)=C(C)C2)CC1 ZINC000483366982 502362726 /nfs/dbraw/zinc/36/27/26/502362726.db2.gz PAOOFRXXGURHOA-UHFFFAOYSA-N 2 0 355.526 3.118 20 0 FGADRP C[C@@H]1C[C@@H](NC(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)CC[N@@H+]1C ZINC000465769583 502378677 /nfs/dbraw/zinc/37/86/77/502378677.db2.gz HNXCNSCAESQKIH-NQIIRXRSSA-N 2 0 372.557 3.345 20 0 FGADRP CC[N@H+](CCNC(=O)N1CC[C@@H](C)[NH+](Cc2ccccc2)CC1)C(C)C ZINC000465828449 502397136 /nfs/dbraw/zinc/39/71/36/502397136.db2.gz BBPVGRWLYZPJIB-LJQANCHMSA-N 2 0 360.546 3.023 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)C[C@H]1C ZINC000483526650 502421465 /nfs/dbraw/zinc/42/14/65/502421465.db2.gz SGZUUMKSBZDMEK-NQIIRXRSSA-N 2 0 372.557 3.165 20 0 FGADRP COc1cccc2c1CC[C@H]2[NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000483529191 502423405 /nfs/dbraw/zinc/42/34/05/502423405.db2.gz HJZQVHWEPUBGES-HXUWFJFHSA-N 2 0 357.542 3.222 20 0 FGADRP CC[NH+]1CCC(CCNC(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000465920852 502427550 /nfs/dbraw/zinc/42/75/50/502427550.db2.gz GIJQVSJBCFSTSZ-OAQYLSRUSA-N 2 0 372.557 3.072 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NC[C@H](C)c1ccc(C)cc1 ZINC000465950160 502437686 /nfs/dbraw/zinc/43/76/86/502437686.db2.gz MBCBGCFRYRHKOY-FPOVZHCZSA-N 2 0 374.573 3.156 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CCC[NH+](Cc3ccccc3)C2)C[C@@H]1C ZINC000483676225 502460036 /nfs/dbraw/zinc/46/00/36/502460036.db2.gz BNLVNUFJYKSDDG-TYPHKJRUSA-N 2 0 372.557 3.165 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)C[C@H]1C ZINC000483684100 502462967 /nfs/dbraw/zinc/46/29/67/502462967.db2.gz PISPWIOPWXSGPC-GIVPXCGWSA-N 2 0 372.557 3.338 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NCCC[NH+](C)C2CCCCC2)C[C@H]1C ZINC000483700259 502467354 /nfs/dbraw/zinc/46/73/54/502467354.db2.gz JZNDNSFNMDABHP-MJGOQNOKSA-N 2 0 352.567 3.155 20 0 FGADRP COc1cc2c(cc1F)[nH+]ccc2N1CC[C@@H](OCC[NH+]2CCCCC2)C1 ZINC000480082451 502467400 /nfs/dbraw/zinc/46/74/00/502467400.db2.gz DPXHUJFHYWUGSF-MRXNPFEDSA-N 2 0 373.472 3.464 20 0 FGADRP COc1cc2c(cc1F)[nH+]ccc2N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC000480083643 502468412 /nfs/dbraw/zinc/46/84/12/502468412.db2.gz OJCFGCCYQVHURS-UHFFFAOYSA-N 2 0 361.461 3.177 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NCC2([NH+](C)C)CCCCCC2)C[C@H]1C ZINC000483714547 502471889 /nfs/dbraw/zinc/47/18/89/502471889.db2.gz OQGRYDIHUPBFNQ-MSOLQXFVSA-N 2 0 352.567 3.155 20 0 FGADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C[C@H]1C ZINC000483716938 502473912 /nfs/dbraw/zinc/47/39/12/502473912.db2.gz UVFJUROBXDHMQX-WIYYLYMNSA-N 2 0 372.557 3.297 20 0 FGADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)NCC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000472970075 502487690 /nfs/dbraw/zinc/48/76/90/502487690.db2.gz KLAADWGEBINFCM-OALUTQOASA-N 2 0 360.546 3.071 20 0 FGADRP CCn1nc(C[NH+]2CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)c2ccccc21 ZINC000473130783 502524223 /nfs/dbraw/zinc/52/42/23/502524223.db2.gz DJBWMNIKGKMSBC-QZTJIDSGSA-N 2 0 370.541 3.377 20 0 FGADRP C[C@H]1CCCN1C(=O)CC[NH2+][C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000469763686 502536580 /nfs/dbraw/zinc/53/65/80/502536580.db2.gz LEGTXNFSFKQMCJ-LMVRJCEZSA-N 2 0 357.542 3.134 20 0 FGADRP CCC[C@H]([NH2+]C(C)C)C(=O)NC[C@@H](c1ccccc1OC)[NH+]1CCCC1 ZINC000473285646 502558852 /nfs/dbraw/zinc/55/88/52/502558852.db2.gz XDBXYOWCSPRMMX-OALUTQOASA-N 2 0 361.530 3.115 20 0 FGADRP C[NH+](C)Cc1ccsc1C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000473289135 502559801 /nfs/dbraw/zinc/55/98/01/502559801.db2.gz AYDKRONYZGNNQB-KRWDZBQOSA-N 2 0 357.523 3.062 20 0 FGADRP C[C@@H](C[NH+]1CCC(OCCC[NH3+])CC1)c1cccc(Br)c1 ZINC000469855737 502569374 /nfs/dbraw/zinc/56/93/74/502569374.db2.gz WXNGTGOZWDNFPM-AWEZNQCLSA-N 2 0 355.320 3.382 20 0 FGADRP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NCCCCC[NH+]1CCCCC1 ZINC000476735731 502575645 /nfs/dbraw/zinc/57/56/45/502575645.db2.gz IZMLOUDODLGIJZ-ZCNNSNEGSA-N 2 0 366.594 3.308 20 0 FGADRP C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)NCCCCC[NH+]1CCCCC1 ZINC000476735730 502576254 /nfs/dbraw/zinc/57/62/54/502576254.db2.gz IZMLOUDODLGIJZ-VAMGGRTRSA-N 2 0 366.594 3.308 20 0 FGADRP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH2+][C@H](CO)Cc1ccc(F)cc1 ZINC000480468446 502576429 /nfs/dbraw/zinc/57/64/29/502576429.db2.gz KQUCDTONMVZSDQ-NRFANRHFSA-N 2 0 358.501 3.477 20 0 FGADRP CC[NH+]1CCN(c2ccccc2C[NH2+]C[C@]2(C)CCO[C@H]2C2CC2)CC1 ZINC000466475417 502581031 /nfs/dbraw/zinc/58/10/31/502581031.db2.gz SYRASJGXHHGEBQ-VXKWHMMOSA-N 2 0 357.542 3.123 20 0 FGADRP C[C@H]1CCC[C@](CNC(=O)N2CC[N@@H+](C3CCC3)C[C@H](C)C2)([NH+](C)C)C1 ZINC000488019066 502602489 /nfs/dbraw/zinc/60/24/89/502602489.db2.gz WDKYZMQFZYPNIJ-WFXMLNOXSA-N 2 0 364.578 3.013 20 0 FGADRP C[C@@H](NC(=O)NCc1cccc(C[NH+](C)C)c1)[C@H](c1ccccc1)[NH+](C)C ZINC000480572076 502607935 /nfs/dbraw/zinc/60/79/35/502607935.db2.gz RIQKQXXRZXJMGQ-DYESRHJHSA-N 2 0 368.525 3.239 20 0 FGADRP CCCN(CC[NH+]1CCCCC1)C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000484284478 502615158 /nfs/dbraw/zinc/61/51/58/502615158.db2.gz PHPYHCOUNWHRCJ-UHFFFAOYSA-N 2 0 352.567 3.157 20 0 FGADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC000469990236 502619878 /nfs/dbraw/zinc/61/98/78/502619878.db2.gz IGWCQNUVOHKMIT-MEKRXLCPSA-N 2 0 355.526 3.171 20 0 FGADRP C[C@H](C(=O)N1CCC[C@H]([NH+](C)C)CC1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000470014052 502630118 /nfs/dbraw/zinc/63/01/18/502630118.db2.gz UMSPJJQRMQJEED-KNQAVFIVSA-N 2 0 371.569 3.272 20 0 FGADRP COC1(C[NH2+]CCCC[NH+]2CCN(Cc3ccccc3)CC2)CCCC1 ZINC000480650433 502632563 /nfs/dbraw/zinc/63/25/63/502632563.db2.gz YRZLGXYLMRXIKD-UHFFFAOYSA-N 2 0 359.558 3.133 20 0 FGADRP C[C@H]1[C@@H](NC(=O)NCCC[NH+]2CCC(C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000476989306 502643222 /nfs/dbraw/zinc/64/32/22/502643222.db2.gz MBKNEORUTNSIFG-FPOVZHCZSA-N 2 0 372.557 3.071 20 0 FGADRP CC[C@@H](C(=O)Nc1ccc(OCC[N@@H+]2CC[C@H](C)C2)cc1)[NH+](CC)CC ZINC000470083511 502654101 /nfs/dbraw/zinc/65/41/01/502654101.db2.gz VYEPUWBBOWIIBD-PXNSSMCTSA-N 2 0 361.530 3.466 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@H]2CCN(c3ccccc3)C2)[C@@H](C)C1 ZINC000480761363 502664079 /nfs/dbraw/zinc/66/40/79/502664079.db2.gz SIJUPGRTGLNWNA-VWPQPMDRSA-N 2 0 359.558 3.240 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@H]2CCN(c3ccccc3)C2)[C@H](C)C1 ZINC000480761359 502664603 /nfs/dbraw/zinc/66/46/03/502664603.db2.gz SIJUPGRTGLNWNA-SJBKTWHCSA-N 2 0 359.558 3.240 20 0 FGADRP COCC[N@H+](C)CCC[NH2+][C@H]1CCCC[C@H]1c1ccc(OC)c(F)c1 ZINC000480771660 502666442 /nfs/dbraw/zinc/66/64/42/502666442.db2.gz OQPLXZHOUVFAQI-HKUYNNGSSA-N 2 0 352.494 3.418 20 0 FGADRP CO[C@@H](C)[C@@H](C)[NH2+]CCCN1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000480818848 502678171 /nfs/dbraw/zinc/67/81/71/502678171.db2.gz GNHBPRJYKIRZNQ-CVEARBPZSA-N 2 0 373.463 3.231 20 0 FGADRP Cc1nc2ccccc2n1CCCCC[NH+]1CCC([N@H+](C)CCCO)CC1 ZINC000463089675 502689849 /nfs/dbraw/zinc/68/98/49/502689849.db2.gz FHSYUROAWMCUNP-UHFFFAOYSA-N 2 0 372.557 3.294 20 0 FGADRP COc1cccc(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)n1 ZINC000470242535 502714347 /nfs/dbraw/zinc/71/43/47/502714347.db2.gz HJLKEWKNVAYFRL-SEJPIABJSA-N 2 0 351.494 3.418 20 0 FGADRP Cc1nc2ccccc2n1CCCCC[N@@H+]1CCOC[C@@H]1[C@@H]1CCCO1 ZINC000463210049 502720424 /nfs/dbraw/zinc/72/04/24/502720424.db2.gz AZVXCPZZNLTABX-RTWAWAEBSA-N 2 0 357.498 3.395 20 0 FGADRP CC1(C)CCCC[C@H]1[NH2+]CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000481181110 502776019 /nfs/dbraw/zinc/77/60/19/502776019.db2.gz LTXBCVNEULLJEZ-HXUWFJFHSA-N 2 0 357.542 3.457 20 0 FGADRP C[C@H]([NH3+])[C@H]1CC[N@H+](CCC(=O)Nc2ccc(Oc3ccccc3)cc2)C1 ZINC000484919653 502777159 /nfs/dbraw/zinc/77/71/59/502777159.db2.gz UXMQQILCMDHHBU-IRXDYDNUSA-N 2 0 353.466 3.477 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)NC1CC([NH+]2CCCCC2)C1)CC(C)C ZINC000474006971 502778124 /nfs/dbraw/zinc/77/81/24/502778124.db2.gz HRWOICSRLKDSBU-CTWPCTMYSA-N 2 0 352.567 3.059 20 0 FGADRP C[C@H]1C[C@@H](CCNC(=O)N(C)CC[N@H+](C)C2CC2)C[NH+]1Cc1ccccc1 ZINC000474014854 502779339 /nfs/dbraw/zinc/77/93/39/502779339.db2.gz KOLDJFWEDARLKJ-AZUAARDMSA-N 2 0 372.557 3.023 20 0 FGADRP C[C@H]([NH3+])[C@H]1CC[N@H+](CCC(=O)N[C@H](c2cccs2)c2ccccc2)C1 ZINC000484984285 502793031 /nfs/dbraw/zinc/79/30/31/502793031.db2.gz CHEUNDGWSJBUNY-KNBMTAEXSA-N 2 0 357.523 3.013 20 0 FGADRP CCOc1ccc(NC(=O)CC[NH+]2CCC(C[NH+](CC)CC)CC2)cc1 ZINC000485097056 502815133 /nfs/dbraw/zinc/81/51/33/502815133.db2.gz WVTAKBNSSIPEES-UHFFFAOYSA-N 2 0 361.530 3.468 20 0 FGADRP CCN(C(=O)CC[C@H]1CCCC[NH+]1C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000504909988 502822576 /nfs/dbraw/zinc/82/25/76/502822576.db2.gz VLTMFIVHERCXMT-RTWAWAEBSA-N 2 0 357.542 3.374 20 0 FGADRP CC[C@@H](OCC[N@@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1)c1ccccc1 ZINC000593013711 506336092 /nfs/dbraw/zinc/33/60/92/506336092.db2.gz SUWMVKMSUSFMNI-FCHUYYIVSA-N 2 0 359.558 3.255 20 0 FGADRP CC(C)(C)[NH+]1CCC([NH2+]C[C@H](CO)Cc2c(F)cccc2Cl)CC1 ZINC000512970985 502823748 /nfs/dbraw/zinc/82/37/48/502823748.db2.gz YDSZFZORMPXOPC-CQSZACIVSA-N 2 0 356.913 3.483 20 0 FGADRP CCC[C@@H]([NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1)c1ccccn1 ZINC000500623944 502829125 /nfs/dbraw/zinc/82/91/25/502829125.db2.gz LVMXZOVROICTQW-HXUWFJFHSA-N 3 0 353.514 3.120 20 0 FGADRP CCC[N@@H+]1CCC[C@H]1CNCc1c(Cl)cccc1N1CC[NH+](C)CC1 ZINC000513065378 502842886 /nfs/dbraw/zinc/84/28/86/502842886.db2.gz VIPWKVRPMKQHSH-KRWDZBQOSA-N 2 0 364.965 3.056 20 0 FGADRP CC(C)[N@H+](C)CC(=O)N(CC[NH+]1CCCC1)Cc1ccc(Cl)cc1 ZINC000496784786 502905313 /nfs/dbraw/zinc/90/53/13/502905313.db2.gz IXISVYURPXSTOZ-UHFFFAOYSA-N 2 0 351.922 3.105 20 0 FGADRP CC(C)[NH+]1CCN(CCC[NH+]2CC(c3nc4ccccc4s3)C2)CC1 ZINC000500992413 502907754 /nfs/dbraw/zinc/90/77/54/502907754.db2.gz YTGKURAKLHAOEZ-UHFFFAOYSA-N 2 0 358.555 3.112 20 0 FGADRP CCOc1ccc([C@@H](C)[NH2+]CCCN2CC[NH+](C(C)C)CC2)cc1OC ZINC000501039401 502918702 /nfs/dbraw/zinc/91/87/02/502918702.db2.gz WWKLRNYVICFFQV-GOSISDBHSA-N 2 0 363.546 3.161 20 0 FGADRP COc1ccc2c(c1)C[C@@H](C)[N@@H+](CCCN1CC[NH+](C(C)C)CC1)[C@H]2C ZINC000501051810 502922953 /nfs/dbraw/zinc/92/29/53/502922953.db2.gz LMOPCIDHVQPBTP-MOPGFXCFSA-N 2 0 359.558 3.419 20 0 FGADRP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@H]([NH3+])c1ccccc1 ZINC000497319798 502931335 /nfs/dbraw/zinc/93/13/35/502931335.db2.gz IBZVANBDCUZPTL-PZJWPPBQSA-N 2 0 351.494 3.057 20 0 FGADRP CC[C@H](C)[NH2+][C@@H](CNC(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C)c1ccco1 ZINC000509568548 502937360 /nfs/dbraw/zinc/93/73/60/502937360.db2.gz MBHYJCNFFOQUQN-BZSNNMDCSA-N 2 0 364.534 3.225 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N1CC[NH+](CC(C)C)CC1)c1ccsc1 ZINC000501111355 502941787 /nfs/dbraw/zinc/94/17/87/502941787.db2.gz VUDBWLOQTWFDCD-GOSISDBHSA-N 2 0 366.575 3.114 20 0 FGADRP CC[C@H](C)[NH2+][C@@H](CNC(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1)c1ccco1 ZINC000509601125 502945135 /nfs/dbraw/zinc/94/51/35/502945135.db2.gz KFDJTIBMZRWAMK-BQFCYCMXSA-N 2 0 364.534 3.081 20 0 FGADRP CC(C)[C@@H](CNC(=O)NCc1ccc(C[NH+](C)C)cc1)[NH+]1CCC(C)CC1 ZINC000501161559 502952217 /nfs/dbraw/zinc/95/22/17/502952217.db2.gz DUUKRPZMQBVXDI-OAQYLSRUSA-N 2 0 374.573 3.304 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)NCC1([NH+](C)C)CCCC1)Cc1ccccc1 ZINC000501253419 502968342 /nfs/dbraw/zinc/96/83/42/502968342.db2.gz MHCQZGBKMVBACV-HXUWFJFHSA-N 2 0 374.573 3.113 20 0 FGADRP C[C@H](C[NH+]1CCCCC1)NC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000489491886 502971076 /nfs/dbraw/zinc/97/10/76/502971076.db2.gz FOQNXONCUOSHIS-QKNQBKEWSA-N 2 0 372.557 3.071 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cc2c(s1)CCCC2 ZINC000505825025 502993141 /nfs/dbraw/zinc/99/31/41/502993141.db2.gz NXMYCDSTTDEPFB-KRWDZBQOSA-N 2 0 363.571 3.115 20 0 FGADRP C[NH+](C)[C@H](CNC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)C1CCCCC1 ZINC000501383869 502997205 /nfs/dbraw/zinc/99/72/05/502997205.db2.gz AOUAJAXSVQRTQO-NHCUHLMSSA-N 2 0 372.557 3.071 20 0 FGADRP CC(C)Cc1ccc([C@H](CNC(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)[NH+](C)C)cc1 ZINC000497608295 502999103 /nfs/dbraw/zinc/99/91/03/502999103.db2.gz DCMXNMGWGNUQAX-CTNGQTDRSA-N 2 0 372.557 3.024 20 0 FGADRP C[N@@H+](Cc1ccccc1)CC1CC[NH+](CC(=O)N2CCCCCC2)CC1 ZINC000489631651 503001646 /nfs/dbraw/zinc/00/16/46/503001646.db2.gz DVBNWMMVNHQRJF-UHFFFAOYSA-N 2 0 357.542 3.233 20 0 FGADRP CC[NH+](CC)CCN(Cc1ccccc1)C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000489752210 503026038 /nfs/dbraw/zinc/02/60/38/503026038.db2.gz DSXOTSUOLJYMSU-SFTDATJTSA-N 2 0 374.573 3.413 20 0 FGADRP C[C@H](CNC(=O)NCC1([NH+](C)C)CCCCCC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000501518347 503027507 /nfs/dbraw/zinc/02/75/07/503027507.db2.gz SAESUNJCNWCAQK-QZTJIDSGSA-N 2 0 352.567 3.061 20 0 FGADRP C[C@H](CNC(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+]1CCCC[C@H]1C ZINC000501520475 503027692 /nfs/dbraw/zinc/02/76/92/503027692.db2.gz FDIQVKXFAFQRPM-RTBURBONSA-N 2 0 372.557 3.213 20 0 FGADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)NCC1([NH+](C)C)CCCC1 ZINC000489830257 503044156 /nfs/dbraw/zinc/04/41/56/503044156.db2.gz KBWOYXWKNMEAFV-AZUAARDMSA-N 2 0 372.557 3.071 20 0 FGADRP CC(C)[C@H]([NH3+])C(=O)N1CCC([N@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000497909603 503064376 /nfs/dbraw/zinc/06/43/76/503064376.db2.gz WXOJVCCVXIWZNG-KRWDZBQOSA-N 2 0 371.447 3.112 20 0 FGADRP C[C@H](C(=O)N1c2ccccc2C[C@@H]1C)[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000501773731 503077188 /nfs/dbraw/zinc/07/71/88/503077188.db2.gz KTPPYVOJWFKJTE-ZWKOTPCHSA-N 2 0 357.542 3.407 20 0 FGADRP CC(C)[NH+](CCNC(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1)C(C)C ZINC000501802555 503082120 /nfs/dbraw/zinc/08/21/20/503082120.db2.gz NFSCQNXBTPFRBJ-FQEVSTJZSA-N 2 0 360.546 3.242 20 0 FGADRP C[NH+](C)C1(CNC(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)CCCCC1 ZINC000501801344 503082807 /nfs/dbraw/zinc/08/28/07/503082807.db2.gz SXJGLOOCEYHYAW-FQEVSTJZSA-N 2 0 372.557 3.387 20 0 FGADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NCCCC[NH+]1CCCC[C@H]1C ZINC000514126582 503094209 /nfs/dbraw/zinc/09/42/09/503094209.db2.gz JVBWSLNJGKQUGJ-CEXWTWQISA-N 2 0 352.567 3.061 20 0 FGADRP CCCN(CC[NH+]1CCCCC1)C(=O)NCC[C@H](C)[NH+]1CCCCC1 ZINC000501871448 503097752 /nfs/dbraw/zinc/09/77/52/503097752.db2.gz MQSWZDQZDMJOKU-IBGZPJMESA-N 2 0 352.567 3.158 20 0 FGADRP C[C@@]1(C(=O)NCC2CC[NH+](Cc3ccccc3Cl)CC2)CCCC[NH2+]1 ZINC000510475279 503122868 /nfs/dbraw/zinc/12/28/68/503122868.db2.gz VCMMUYPPCKMNNO-FQEVSTJZSA-N 2 0 363.933 3.200 20 0 FGADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)NC[C@H](C)[NH+]2CCCC[C@H]2C)C1 ZINC000514244794 503124759 /nfs/dbraw/zinc/12/47/59/503124759.db2.gz NFSGQVGFMDEFQL-HDAAZOAOSA-N 2 0 372.557 3.384 20 0 FGADRP CCCC[NH+]1CCC(NC(=O)N[C@@H](C)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000490195750 503128157 /nfs/dbraw/zinc/12/81/57/503128157.db2.gz CXSKXWNPZSCZTQ-FXAWDEMLSA-N 2 0 360.546 3.242 20 0 FGADRP C[C@@H](CNC(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)[NH+]1CCCC[C@H]1C ZINC000510510704 503129728 /nfs/dbraw/zinc/12/97/28/503129728.db2.gz IUIPOWAHUTVCMX-YDZRNGNQSA-N 2 0 364.578 3.202 20 0 FGADRP C[NH+](C)C1(CNC(=O)NCCC[NH2+]C2CCCCC2)CCCCCC1 ZINC000514454945 503130233 /nfs/dbraw/zinc/13/02/33/503130233.db2.gz ITVTXNDYUZFDCB-UHFFFAOYSA-N 2 0 352.567 3.253 20 0 FGADRP Cc1ccccc1[C@H]([C@H](C)NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)[NH+](C)C ZINC000498403647 503179720 /nfs/dbraw/zinc/17/97/20/503179720.db2.gz WFCOHJSGRBPFAP-GFURTYDTSA-N 2 0 372.557 3.301 20 0 FGADRP C[C@@H]1CCC[N@H+](CCNC(=O)N2CCC[C@@H](C[NH+]3CCCC[C@H]3C)C2)C1 ZINC000506927800 503196543 /nfs/dbraw/zinc/19/65/43/503196543.db2.gz BKYQRVBGAJVVBZ-AQNXPRMDSA-N 2 0 364.578 3.014 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)NCC[NH+](C)C2CC2)C1 ZINC000490863245 503238234 /nfs/dbraw/zinc/23/82/34/503238234.db2.gz RMQJRWALIADXNC-HDICACEKSA-N 2 0 372.557 3.058 20 0 FGADRP CCc1nc(CN2CCC(C[NH2+]CC3(O)CCC(C)CC3)CC2)cs1 ZINC000515054382 503260579 /nfs/dbraw/zinc/26/05/79/503260579.db2.gz FXTUOCCDHHPBOS-UHFFFAOYSA-N 2 0 365.587 3.448 20 0 FGADRP C[C@H]1C[N@H+](CCOc2ccc3ccccc3c2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000491023194 503262164 /nfs/dbraw/zinc/26/21/64/503262164.db2.gz URSZMMCTIZZHTD-CVDCTZTESA-N 2 0 367.537 3.176 20 0 FGADRP CC1CC[NH+](CCCCNC(=O)NCCC[NH2+]C2CCCCC2)CC1 ZINC000502804961 503276274 /nfs/dbraw/zinc/27/62/74/503276274.db2.gz GBMLIBKQZTXSIB-UHFFFAOYSA-N 2 0 352.567 3.110 20 0 FGADRP Cc1cccc(C)c1OC[C@@H](O)CN1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000498860031 503277326 /nfs/dbraw/zinc/27/73/26/503277326.db2.gz YOJXTVASCYAGMI-YADHBBJMSA-N 2 0 374.569 3.487 20 0 FGADRP Cc1ccc([C@H](CNC(=O)N2CC[NH+](C3CCC3)CC2)[NH+]2CCCC2)cc1 ZINC000502840394 503286101 /nfs/dbraw/zinc/28/61/01/503286101.db2.gz OWGQQRVTONWLRQ-NRFANRHFSA-N 2 0 370.541 3.012 20 0 FGADRP CC[N@@H+]1CCC[C@H](CNC(=O)N[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000507405862 503295298 /nfs/dbraw/zinc/29/52/98/503295298.db2.gz LVBYZIITWBZXQH-HMXCVIKNSA-N 2 0 372.557 3.071 20 0 FGADRP c1cnn(Cc2ccccc2C[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000515232748 503299003 /nfs/dbraw/zinc/29/90/03/503299003.db2.gz NJNCWRJQJCXYEE-FYYLOGMGSA-N 2 0 374.488 3.277 20 0 FGADRP C[NH+](C)[C@@H](CNC(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C)c1ccccc1 ZINC000515290858 503307042 /nfs/dbraw/zinc/30/70/42/503307042.db2.gz JIDIBMACLRHOOH-VQTJNVASSA-N 2 0 372.488 3.031 20 0 FGADRP OC[C@H](N[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)c1ccc(F)cc1 ZINC000507488881 503307374 /nfs/dbraw/zinc/30/73/74/503307374.db2.gz VUAUJSGNJPVMKS-UVUJQTEASA-N 2 0 354.469 3.359 20 0 FGADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)NCC(C)(C)[NH+]1CCC[C@H](C)C1 ZINC000503058669 503338548 /nfs/dbraw/zinc/33/85/48/503338548.db2.gz LMHIYSOCKCELIZ-ROUUACIJSA-N 2 0 352.567 3.061 20 0 FGADRP CC(C)[NH+]1CCC(NC(=O)C[N@H+](C)Cc2cccc3ccccc32)CC1 ZINC000511630862 503358235 /nfs/dbraw/zinc/35/82/35/503358235.db2.gz SIMMLQQSSICIPM-UHFFFAOYSA-N 2 0 353.510 3.261 20 0 FGADRP CCC[N@@H+]1CCC[C@H]1CNC(=O)N(C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000511906183 503412847 /nfs/dbraw/zinc/41/28/47/503412847.db2.gz NBDSWJAENFNRJC-RTWAWAEBSA-N 2 0 372.557 3.024 20 0 FGADRP Cn1c2ccc(C[NH2+]Cc3cccc(C[NH+]4CCCC4)c3)cc2oc1=O ZINC000512038813 503440668 /nfs/dbraw/zinc/44/06/68/503440668.db2.gz VGQNVOWGKOXQJR-UHFFFAOYSA-N 2 0 351.450 3.017 20 0 FGADRP COc1ncc(C[NH+]2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)c(C)n1 ZINC000499601225 503441140 /nfs/dbraw/zinc/44/11/40/503441140.db2.gz WFGXRLWJAPPNRZ-UHFFFAOYSA-N 2 0 366.509 3.282 20 0 FGADRP C[C@H]([NH2+]C(C)(C)CNC(=O)N1CC[C@H]([NH+]2CCCCC2)C1)c1ccccc1 ZINC000503734188 503465875 /nfs/dbraw/zinc/46/58/75/503465875.db2.gz XHKMZDGWAZGXES-ICSRJNTNSA-N 2 0 372.557 3.386 20 0 FGADRP C[NH+](C)CCNC(=O)c1cccc(C[NH2+]C/C=C\c2ccc(F)c(F)c2)c1 ZINC000512137202 503466306 /nfs/dbraw/zinc/46/63/06/503466306.db2.gz UMEMNZAMCVHVBS-XQRVVYSFSA-N 2 0 373.447 3.059 20 0 FGADRP CCC[NH+]1CCN(c2ccccc2CN2C[C@@H]([NH+]3CCCC3)C[C@H]2C)CC1 ZINC000516215159 503472372 /nfs/dbraw/zinc/47/23/72/503472372.db2.gz IKKJTMUVXUXKGS-IRLDBZIGSA-N 2 0 370.585 3.277 20 0 FGADRP CC(C)[NH+](C)Cc1ccccc1CNC(=O)N[C@@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000516241258 503479771 /nfs/dbraw/zinc/47/97/71/503479771.db2.gz IDRVWHOXQKMODR-OALUTQOASA-N 2 0 374.573 3.446 20 0 FGADRP C[C@H](NC(=O)CC[C@H]1CCCC[N@@H+]1C)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000503882168 503482416 /nfs/dbraw/zinc/48/24/16/503482416.db2.gz FQFVICPXNSBAJS-CEWLAPEOSA-N 2 0 357.542 3.278 20 0 FGADRP Fc1ccc(C[NH2+][C@@H]2CCO[C@@H]2C2CC2)cc1C[NH2+][C@H]1CCO[C@@H]1C1CC1 ZINC000582706958 506375865 /nfs/dbraw/zinc/37/58/65/506375865.db2.gz VZPVGYVWHPUGQG-CIAFKFPVSA-N 2 0 374.500 3.140 20 0 FGADRP CC(C)[NH+](CCN(C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1)C(C)C ZINC000503994995 503507216 /nfs/dbraw/zinc/50/72/16/503507216.db2.gz UIIDZMJYVHBKKR-UHFFFAOYSA-N 2 0 374.573 3.411 20 0 FGADRP CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)C(C)(C)c1ccccc1Cl ZINC000508620056 503530523 /nfs/dbraw/zinc/53/05/23/503530523.db2.gz OSQRMEHEZVTNDL-UHFFFAOYSA-N 2 0 365.949 3.102 20 0 FGADRP CC(C)[C@@H](CNC(=O)NCc1cccc(C[NH+](C)C)c1)[NH+]1CCCCCC1 ZINC000504188562 503536071 /nfs/dbraw/zinc/53/60/71/503536071.db2.gz NESDDHQWMYCMNG-OAQYLSRUSA-N 2 0 374.573 3.448 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)NC[C@@H](C)C[NH+]1CCCCC1)c1ccccc1 ZINC000516565572 503538303 /nfs/dbraw/zinc/53/83/03/503538303.db2.gz MGYUWSZIVBIADB-CTNGQTDRSA-N 2 0 374.573 3.491 20 0 FGADRP CC(C)C[C@H](C[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)N1CCOCC1 ZINC000508702257 503547084 /nfs/dbraw/zinc/54/70/84/503547084.db2.gz VZWYJLQFLBFPFO-ACIOBRDBSA-N 2 0 373.585 3.234 20 0 FGADRP O=C(NCC1([NH+]2CCCCC2)CCCCC1)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000504316336 503554811 /nfs/dbraw/zinc/55/48/11/503554811.db2.gz HBDCGFOAPTXOAG-RTBURBONSA-N 2 0 362.562 3.101 20 0 FGADRP CC[NH+](CC)Cc1cccc(CNC(=O)N2CCC(C[NH+](C)C)CC2)c1 ZINC000500158773 503566971 /nfs/dbraw/zinc/56/69/71/503566971.db2.gz JDWYRLGCVKNQLL-UHFFFAOYSA-N 2 0 360.546 3.012 20 0 FGADRP C/C=C/c1ccc(OC[C@H](O)C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)c(OC)c1 ZINC000512543067 503579793 /nfs/dbraw/zinc/57/97/93/503579793.db2.gz YXOAXMKONUTDEG-UYCLRUNISA-N 2 0 374.525 3.025 20 0 FGADRP C[C@H](NC(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C)[C@@H](c1ccccc1)[NH+](C)C ZINC000508903126 503595254 /nfs/dbraw/zinc/59/52/54/503595254.db2.gz FHMKEGSXVSPATK-IHPCNDPISA-N 2 0 360.546 3.194 20 0 FGADRP Cc1ccccc1[C@H]([C@@H](C)NC(=O)N1CCCC12CC[NH+](C)CC2)[NH+](C)C ZINC000508908438 503596969 /nfs/dbraw/zinc/59/69/69/503596969.db2.gz SLOFVZOENZZDTI-QUCCMNQESA-N 2 0 372.557 3.256 20 0 FGADRP FC(F)(F)COCC[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000512637201 503600839 /nfs/dbraw/zinc/60/08/39/503600839.db2.gz SMWWXZIEEAUFAU-RCCFBDPRSA-N 2 0 356.432 3.456 20 0 FGADRP COc1c(C)cc(C[NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)cc1C ZINC000516894420 503611191 /nfs/dbraw/zinc/61/11/91/503611191.db2.gz DCFAGGLQRSHQFJ-WCRBZPEASA-N 2 0 357.542 3.055 20 0 FGADRP Fc1cc(C[NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)ccc1Oc1cccnc1 ZINC000516921232 503619859 /nfs/dbraw/zinc/61/98/59/503619859.db2.gz ULUBKSPNHOIVNI-DFQSSKMNSA-N 2 0 371.456 3.260 20 0 FGADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2c[nH]nc2-c2ccc(C)cc2)C1 ZINC000536696506 503685218 /nfs/dbraw/zinc/68/52/18/503685218.db2.gz STXITXFVOFSZIG-FQEVSTJZSA-N 2 0 356.514 3.318 20 0 FGADRP Cc1cc2c(cc1C)[C@H]([NH2+]C1CC[NH+]([C@@H]3CCC[C@@H]3O)CC1)CCCO2 ZINC000540159895 503692408 /nfs/dbraw/zinc/69/24/08/503692408.db2.gz ABVGNBMTTOWAIT-NJYVYQBISA-N 2 0 358.526 3.485 20 0 FGADRP C[NH+](C)C[C@H]1CCCN1C(=O)c1cccc(C[N@H+](C)Cc2ccccc2)c1 ZINC000543294148 503713490 /nfs/dbraw/zinc/71/34/90/503713490.db2.gz ZHEATFNNYVSEBW-JOCHJYFZSA-N 2 0 365.521 3.485 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H]2CCN(C(C)=O)c3ccccc32)[C@@H](C)C1 ZINC000536842831 503738500 /nfs/dbraw/zinc/73/85/00/503738500.db2.gz BEUSPFCMPGYHGK-YYWHXJBOSA-N 2 0 373.541 3.211 20 0 FGADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000517491450 503755845 /nfs/dbraw/zinc/75/58/45/503755845.db2.gz KZSJSRYBBHTCHW-MSOLQXFVSA-N 2 0 366.575 3.305 20 0 FGADRP C[C@@H]1C[C@@H](CC[NH2+]C[C@@H](O)Cc2ccccc2)C[N@@H+]1Cc1ccccc1 ZINC000517555934 503770671 /nfs/dbraw/zinc/77/06/71/503770671.db2.gz BUMLIELAFIRKMR-PTUXOGIPSA-N 2 0 352.522 3.480 20 0 FGADRP CCn1cc(C[NH2+]CCc2ccc(OCC[NH+]3C[C@@H](C)[C@H](C)C3)cc2)cn1 ZINC000537024349 503779865 /nfs/dbraw/zinc/77/98/65/503779865.db2.gz IGKSZXIQLJPMKO-RTBURBONSA-N 2 0 370.541 3.202 20 0 FGADRP CC[NH+](CC)Cc1ccc(CNC(=O)NC[C@@H](C(C)C)[NH+]2CCCC2)cc1 ZINC000517882951 503858351 /nfs/dbraw/zinc/85/83/51/503858351.db2.gz DNUVHOVPSHEXHP-NRFANRHFSA-N 2 0 374.573 3.448 20 0 FGADRP CN(CCC(=O)Nc1ccc2ccn(CC[NH+](C)C)c2c1)c1cc[nH+]cc1 ZINC000543713383 503862311 /nfs/dbraw/zinc/86/23/11/503862311.db2.gz BSANDKHYBQZFDM-UHFFFAOYSA-N 2 0 365.481 3.063 20 0 FGADRP O=C(C[N@@H+](Cc1cccc(F)c1)C1CCCC1)NC1CC[NH+](C2CC2)CC1 ZINC000533486018 503862290 /nfs/dbraw/zinc/86/22/90/503862290.db2.gz ZMMROZHOHHMMOZ-UHFFFAOYSA-N 2 0 373.516 3.313 20 0 FGADRP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)N2CCC[C@@H]2C[NH+]2CCCC2)C1 ZINC000517916866 503866950 /nfs/dbraw/zinc/86/69/50/503866950.db2.gz MXVNEXRVTHZNPW-VAMGGRTRSA-N 2 0 364.578 3.014 20 0 FGADRP C[C@H]([NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1)[C@@H]1C[C@H]1C1CC1 ZINC000527661643 503883322 /nfs/dbraw/zinc/88/33/22/503883322.db2.gz KTIFUQMSKSYXMF-NDXORKPFSA-N 2 0 355.526 3.036 20 0 FGADRP Fc1ccc(Br)cc1CN1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530239232 503887695 /nfs/dbraw/zinc/88/76/95/503887695.db2.gz FSEFEFHMIQLRMO-INIZCTEOSA-N 2 0 371.294 3.179 20 0 FGADRP Fc1ccc(-c2cc(C[NH+]3CCC(CO[C@H]4CC[NH2+]C4)CC3)on2)cc1 ZINC000530240319 503889677 /nfs/dbraw/zinc/88/96/77/503889677.db2.gz KOLNMMYYCZEJMT-SFHVURJKSA-N 2 0 359.445 3.071 20 0 FGADRP c1sc(-c2ccccc2)nc1C[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530242325 503891155 /nfs/dbraw/zinc/89/11/55/503891155.db2.gz STLJXCFYVGSLAV-IBGZPJMESA-N 2 0 357.523 3.401 20 0 FGADRP COc1ccc2ccccc2c1C[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530248434 503894272 /nfs/dbraw/zinc/89/42/72/503894272.db2.gz KOYMLEZOGVFASA-LJQANCHMSA-N 2 0 354.494 3.439 20 0 FGADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)NC(C)(C)C[NH+](C)Cc2ccccc2)C1 ZINC000533622394 503903967 /nfs/dbraw/zinc/90/39/67/503903967.db2.gz SZGUKLRBMRYZHG-HXUWFJFHSA-N 2 0 374.573 3.174 20 0 FGADRP CC[NH+](CC)CCCC1CC[NH+](CC(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000543872303 503924234 /nfs/dbraw/zinc/92/42/34/503924234.db2.gz QDQBPCWGXMQTGG-OALUTQOASA-N 2 0 351.579 3.325 20 0 FGADRP C[C@H]([NH2+]CCc1ccc2c(c1)OCO2)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000540962440 503955284 /nfs/dbraw/zinc/95/52/84/503955284.db2.gz XYNLXLSSMVGQLY-FXAWDEMLSA-N 2 0 352.478 3.458 20 0 FGADRP C[C@H]([NH2+]CCc1ccc2c(c1)OCO2)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000540962449 503955649 /nfs/dbraw/zinc/95/56/49/503955649.db2.gz XYNLXLSSMVGQLY-PXNSSMCTSA-N 2 0 352.478 3.458 20 0 FGADRP C[N@@H+]1CC[C@@H](NC(=O)N2CC[NH+](C3CCCCC3)CC2)[C@@H]1c1ccccc1 ZINC000533986798 504009608 /nfs/dbraw/zinc/00/96/08/504009608.db2.gz VISIPKMMKBLGGP-RTWAWAEBSA-N 2 0 370.541 3.092 20 0 FGADRP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]C[C@H](O)C2CCCCC2)CC1 ZINC000537748099 504026174 /nfs/dbraw/zinc/02/61/74/504026174.db2.gz FQWKPUNGBIRKAI-FQEVSTJZSA-N 2 0 365.949 3.123 20 0 FGADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(C)(C)C(=O)N1CCCC1 ZINC000528015981 504041435 /nfs/dbraw/zinc/04/14/35/504041435.db2.gz ZWROEVDFSKTRIW-AZUAARDMSA-N 2 0 357.542 3.135 20 0 FGADRP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCCC[C@@H]2CCc2ccccc2)CC1 ZINC000534126981 504048478 /nfs/dbraw/zinc/04/84/78/504048478.db2.gz UBKZFBSNFYYJKD-JOCHJYFZSA-N 2 0 371.569 3.463 20 0 FGADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@H](C)[C@H]1OCCc2sccc21 ZINC000518748254 504054232 /nfs/dbraw/zinc/05/42/32/504054232.db2.gz LSCOAWQKTDQWHU-AUUYWEPGSA-N 2 0 354.479 3.429 20 0 FGADRP Cc1c[nH+]ccc1N1CCC(C(=O)NCC2([NH+](C)C)CCCCCC2)CC1 ZINC000530730350 504067590 /nfs/dbraw/zinc/06/75/90/504067590.db2.gz UZOFDVAPPALPHN-UHFFFAOYSA-N 2 0 372.557 3.377 20 0 FGADRP Cc1ccc(-c2ncc(C[N@H+](C)CCCN3CC[NH+](C)CC3)s2)cc1 ZINC000518838036 504075909 /nfs/dbraw/zinc/07/59/09/504075909.db2.gz INXJGAUAQIXOFF-UHFFFAOYSA-N 2 0 358.555 3.188 20 0 FGADRP O=C(NC[C@@H]1CC[N@@H+]1C1CCCCC1)N1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000528151415 504094671 /nfs/dbraw/zinc/09/46/71/504094671.db2.gz ZGOJASSHBBCQKP-JRGCBEDISA-N 2 0 374.573 3.052 20 0 FGADRP COc1ccc2c(c1)OC[C@H]([NH2+][C@H]1CCN(Cc3ccccc3)C[C@@H]1C)C2 ZINC000537960327 504096121 /nfs/dbraw/zinc/09/61/21/504096121.db2.gz QWIJYEZKRIBPPL-WEYGHZABSA-N 2 0 366.505 3.499 20 0 FGADRP C[NH+](C)CCOc1cccc(C[NH2+][C@H]2CCC(=O)Nc3ccccc32)c1 ZINC000544362738 504103532 /nfs/dbraw/zinc/10/35/32/504103532.db2.gz IBAQUYNMZBIWEU-IBGZPJMESA-N 2 0 353.466 3.190 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1CCCNC(=O)[C@H](c1cccc(Cl)c1)N(C)C ZINC000518969661 504106696 /nfs/dbraw/zinc/10/66/96/504106696.db2.gz MOYPAFXISQIESO-QAPCUYQASA-N 2 0 351.922 3.323 20 0 FGADRP C[C@@H](CCNC(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1)[NH+]1CCCCC1 ZINC000541441515 504131026 /nfs/dbraw/zinc/13/10/26/504131026.db2.gz FYXJNEWPLGXJJF-MSOLQXFVSA-N 2 0 352.567 3.061 20 0 FGADRP CC[C@@H](C(=O)NC[C@H](c1ccc(OC)cc1)[NH+]1CCCC1)[NH+](CC)CC ZINC000531042723 504169935 /nfs/dbraw/zinc/16/99/35/504169935.db2.gz JBSPMNZUPQJYIV-VQTJNVASSA-N 2 0 361.530 3.069 20 0 FGADRP C[C@H]([NH2+]Cc1cc(C(F)(F)F)ccc1N1CC[NH+](C)CC1)[C@H]1CCCO1 ZINC000541544081 504171855 /nfs/dbraw/zinc/17/18/55/504171855.db2.gz RHBCWZHCFCEVQD-KBXCAEBGSA-N 2 0 371.447 3.114 20 0 FGADRP C[NH+](C)[C@@H](CNC(=O)NCC[N@H+](C)C1CCCC1)c1ccc(Cl)cc1 ZINC000531079391 504181791 /nfs/dbraw/zinc/18/17/91/504181791.db2.gz ZPSHHGZXPPTFNY-SFHVURJKSA-N 2 0 366.937 3.116 20 0 FGADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)C1 ZINC000519356823 504200690 /nfs/dbraw/zinc/20/06/90/504200690.db2.gz XEBSXIABUMKZFM-HLAWJBBLSA-N 2 0 370.541 3.092 20 0 FGADRP C[C@H](C[NH+]1CCCCC1)NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000519361820 504201797 /nfs/dbraw/zinc/20/17/97/504201797.db2.gz FJNSQSRFRKEFDC-IEBWSBKVSA-N 2 0 361.505 3.028 20 0 FGADRP COC(=O)c1cc2c(o1)c(OC)ccc2C[NH2+]CCC[NH+]1CCC(C)CC1 ZINC000531142015 504203969 /nfs/dbraw/zinc/20/39/69/504203969.db2.gz DHUOCCMRKTXUBS-UHFFFAOYSA-N 2 0 374.481 3.440 20 0 FGADRP CC[C@H]1CN(C(=O)NC[C@H]2CC[NH+](C(C)C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000544683971 504216753 /nfs/dbraw/zinc/21/67/53/504216753.db2.gz ZEDLDVNYCWXDGQ-RTWAWAEBSA-N 2 0 372.557 3.023 20 0 FGADRP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(-n2cncn2)c(F)c1 ZINC000531430212 504303302 /nfs/dbraw/zinc/30/33/02/504303302.db2.gz BZBUKKRKFDPCHR-MJGOQNOKSA-N 2 0 359.493 3.397 20 0 FGADRP OC[C@@H]1CCC2(CCOCC2)C[N@@H+]1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000528636891 504306163 /nfs/dbraw/zinc/30/61/63/504306163.db2.gz FGMHMUMRPKZOTC-QFIPXVFZSA-N 2 0 372.553 3.426 20 0 FGADRP C[C@@H]1C[C@@H](N(C)C(=O)[C@@H]2CCCN2Cc2ccc(Cl)cc2)CC[N@@H+]1C ZINC000528650625 504314244 /nfs/dbraw/zinc/31/42/44/504314244.db2.gz PEUUPIWZFXDISN-MNEFBYGVSA-N 2 0 363.933 3.246 20 0 FGADRP CC(C)[N@@H+](C)C[C@H](C)NC(=O)N1CCC[NH+](Cc2ccccc2)C[C@H]1C ZINC000519736470 504320131 /nfs/dbraw/zinc/32/01/31/504320131.db2.gz SFHKCDOVAYEBFA-RBUKOAKNSA-N 2 0 360.546 3.021 20 0 FGADRP CC[C@]1(C(=O)NC[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)CCC[NH2+]1 ZINC000519824385 504354336 /nfs/dbraw/zinc/35/43/36/504354336.db2.gz HMODKPIYKSBHSX-LSBZLQRGSA-N 2 0 367.896 3.120 20 0 FGADRP C[NH+]1CCC([C@@H]2CCN(C(=O)[C@H]3CCCC[N@@H+]3Cc3ccccc3)C2)CC1 ZINC000535146446 504355112 /nfs/dbraw/zinc/35/51/12/504355112.db2.gz DFHJIVMKFZLRIA-FGZHOGPDSA-N 2 0 369.553 3.231 20 0 FGADRP CC[N@H+](C)Cc1cccc(CNC(=O)NC[C@@]2([NH+](C)C)CCC[C@@H](C)C2)c1 ZINC000519937783 504388555 /nfs/dbraw/zinc/38/85/55/504388555.db2.gz PVKUMEIEZYLLFW-XMSQKQJNSA-N 2 0 374.573 3.448 20 0 FGADRP C[C@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000531683355 504391914 /nfs/dbraw/zinc/39/19/14/504391914.db2.gz IEXJHPZHVHBVPH-KGLIPLIRSA-N 2 0 369.431 3.496 20 0 FGADRP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000520185716 504430260 /nfs/dbraw/zinc/43/02/60/504430260.db2.gz WEASFEAPMBWHLV-SBHAEUEKSA-N 2 0 357.542 3.135 20 0 FGADRP C[C@H]([NH2+]CC(=O)N1CC[NH2+]CC1)c1ccc(-c2ccc(Cl)cc2)s1 ZINC000520216677 504437569 /nfs/dbraw/zinc/43/75/69/504437569.db2.gz MUKXFOUUARNLQB-ZDUSSCGKSA-N 2 0 363.914 3.151 20 0 FGADRP C[C@@H]([NH2+]CC(=O)N1CC[NH2+]CC1)c1ccc(-c2ccc(Cl)cc2)s1 ZINC000520216676 504437652 /nfs/dbraw/zinc/43/76/52/504437652.db2.gz MUKXFOUUARNLQB-CYBMUJFWSA-N 2 0 363.914 3.151 20 0 FGADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)NCC2(C[NH+](C)C)CCCC2)C1 ZINC000545346831 504453928 /nfs/dbraw/zinc/45/39/28/504453928.db2.gz OAMTZJKNNLJVLR-ICSRJNTNSA-N 2 0 372.557 3.243 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H](NC[C@H]2CCC[NH+](CC(C)C)C2)[C@@H](C)C1 ZINC000539046013 504456200 /nfs/dbraw/zinc/45/62/00/504456200.db2.gz GBUOFRLCRJIRDS-HBMCJLEFSA-N 2 0 353.595 3.081 20 0 FGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@H](C)c2sccc2Br)CC1 ZINC000531959498 504487543 /nfs/dbraw/zinc/48/75/43/504487543.db2.gz KDPRWGASKHELBX-UONOGXRCSA-N 2 0 374.392 3.435 20 0 FGADRP Cc1ccccc1[C@H](CN1CCOCC1)NC[C@H](C)C[NH+]1CCCCC1 ZINC000542478739 504506482 /nfs/dbraw/zinc/50/64/82/504506482.db2.gz OWXHLDUTDAEUMA-UGKGYDQZSA-N 2 0 359.558 3.080 20 0 FGADRP C[C@H]([NH2+]CCc1ccc(OCC[NH+]2C[C@H](C)[C@@H](C)C2)cc1)c1cnccn1 ZINC000539299130 504523210 /nfs/dbraw/zinc/52/32/10/504523210.db2.gz WDKZZTJQGYKIHJ-FHWLQOOXSA-N 2 0 368.525 3.337 20 0 FGADRP C[NH+](C)C1CCC([NH2+]C[C@@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000520568611 504530100 /nfs/dbraw/zinc/53/01/00/504530100.db2.gz AEVCHVAHNKEWAH-YMAMQOFZSA-N 2 0 361.313 3.196 20 0 FGADRP CC[NH+](CC)[C@H](C(=O)N(C)CCC[NH+](C)C)c1cccc(C(F)(F)F)c1 ZINC000539417380 504565218 /nfs/dbraw/zinc/56/52/18/504565218.db2.gz JOKDXSXAEQGUMU-KRWDZBQOSA-N 2 0 373.463 3.498 20 0 FGADRP COc1ccccc1C[C@@H](C)[NH2+]C[C@@H](c1cccs1)N1CCN(C)CC1 ZINC000532187395 504566150 /nfs/dbraw/zinc/56/61/50/504566150.db2.gz BUWCQAIJVUKIHI-MJGOQNOKSA-N 2 0 373.566 3.266 20 0 FGADRP C[NH+]1CCN(c2cc(C[NH2+][C@H]3CCc4c3cccc4Cl)ccn2)CC1 ZINC000532193979 504569719 /nfs/dbraw/zinc/56/97/19/504569719.db2.gz JZFJOLTZQVWELW-IBGZPJMESA-N 2 0 356.901 3.264 20 0 FGADRP CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(CN3CC[NH+](CC)CC3)cc2)C12CCC2 ZINC000539499896 504591293 /nfs/dbraw/zinc/59/12/93/504591293.db2.gz MVXWTLMGRCOVLG-FGZHOGPDSA-N 2 0 371.569 3.261 20 0 FGADRP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N(C)[C@H](C)C2CC[NH+](C)CC2)C1 ZINC000542747281 504594531 /nfs/dbraw/zinc/59/45/31/504594531.db2.gz ZIPSYKIMASEBOM-MSOLQXFVSA-N 2 0 366.594 3.259 20 0 FGADRP C[C@@H](CNC(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)[NH+]1CCC(C)CC1 ZINC000520877055 504601213 /nfs/dbraw/zinc/60/12/13/504601213.db2.gz HUKQGJLROPCPDJ-PZJWPPBQSA-N 2 0 372.557 3.071 20 0 FGADRP CCn1ccnc1C[NH2+]C[C@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000539564918 504609871 /nfs/dbraw/zinc/60/98/71/504609871.db2.gz CKXKVEOTKQDRQL-RDTXWAMCSA-N 2 0 350.869 3.478 20 0 FGADRP COc1cc(C)ccc1[C@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000542848356 504633594 /nfs/dbraw/zinc/63/35/94/504633594.db2.gz KNAQAKOTXSMDAK-PXNSSMCTSA-N 2 0 354.494 3.421 20 0 FGADRP CC(C)C[C@H]([NH2+][C@@H]1CCc2cc(Cl)ccc21)C(=O)NCC[NH+](C)C ZINC000539645225 504637827 /nfs/dbraw/zinc/63/78/27/504637827.db2.gz LYFCZWQDPBCXKA-MSOLQXFVSA-N 2 0 351.922 3.009 20 0 FGADRP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]CC2(O)CCCCCC2)CC1 ZINC000536132563 504643106 /nfs/dbraw/zinc/64/31/06/504643106.db2.gz XONMJKCPNSKBFH-UHFFFAOYSA-N 2 0 365.949 3.267 20 0 FGADRP C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)[NH2+][C@@H]1CCCc2sccc21 ZINC000539691595 504653470 /nfs/dbraw/zinc/65/34/70/504653470.db2.gz KBFAEFAIGYVCSC-MOPGFXCFSA-N 2 0 371.550 3.004 20 0 FGADRP CC[NH+](CC)CC1CCN(C(=O)C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000521181397 504672047 /nfs/dbraw/zinc/67/20/47/504672047.db2.gz SWDHCXWJLYRRSC-UHFFFAOYSA-N 2 0 371.569 3.479 20 0 FGADRP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000549087357 504679733 /nfs/dbraw/zinc/67/97/33/504679733.db2.gz ZEWXKSSQRSZJAC-QFIPXVFZSA-N 2 0 365.521 3.185 20 0 FGADRP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[NH+]1CCC(C)(C)CC1 ZINC000532523739 504682220 /nfs/dbraw/zinc/68/22/20/504682220.db2.gz HRBXISMCMBQRBA-GOSISDBHSA-N 2 0 357.542 3.278 20 0 FGADRP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)N1CCC[NH+](C(C)(C)C)CC1 ZINC000521309026 504706319 /nfs/dbraw/zinc/70/63/19/504706319.db2.gz HLUCTBKMMUMBRB-SFHVURJKSA-N 2 0 352.567 3.157 20 0 FGADRP Cc1ccc(C[NH+]2CCC(OCC[NH+](C)C)CC2)c(Br)c1 ZINC000539831409 504706885 /nfs/dbraw/zinc/70/68/85/504706885.db2.gz MRRMAHBEGWZPLD-UHFFFAOYSA-N 2 0 355.320 3.300 20 0 FGADRP C[C@H](C(=O)N(C)CC[NH+](C)C1CCCCC1)[N@@H+]1CCc2ccccc2C1 ZINC000521359961 504718059 /nfs/dbraw/zinc/71/80/59/504718059.db2.gz OAZLTNDTVJMBQZ-GOSISDBHSA-N 2 0 357.542 3.156 20 0 FGADRP C[C@@H](C(=O)N(C)CC[NH+](C)C1CCCCC1)[N@@H+]1CCc2ccccc2C1 ZINC000521359962 504718153 /nfs/dbraw/zinc/71/81/53/504718153.db2.gz OAZLTNDTVJMBQZ-SFHVURJKSA-N 2 0 357.542 3.156 20 0 FGADRP C[C@@H](c1ccc(F)cc1)N1CC[C@H]([NH+]2CCC(C[NH+]3CCCC3)CC2)C1=O ZINC000521469130 504743338 /nfs/dbraw/zinc/74/33/38/504743338.db2.gz XYNIQOYRLFPOKD-UWJYYQICSA-N 2 0 373.516 3.295 20 0 FGADRP C[C@@H](CNC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1)[NH+]1CCC(C)CC1 ZINC000521486020 504746079 /nfs/dbraw/zinc/74/60/79/504746079.db2.gz HHJHZWGTKBFCRJ-PZJWPPBQSA-N 2 0 357.542 3.135 20 0 FGADRP C[C@H](C[C@H]1CCCO1)[NH2+]Cc1c(Cl)cccc1N1CC[NH+](C)CC1 ZINC000539949755 504746364 /nfs/dbraw/zinc/74/63/64/504746364.db2.gz FOONXULFNFWOET-HZPDHXFCSA-N 2 0 351.922 3.139 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)N[C@H]2CC[NH+](C3CCCC3)C2)C1 ZINC000521593495 504761750 /nfs/dbraw/zinc/76/17/50/504761750.db2.gz DEFYACLYQBVQNZ-OTWHNJEPSA-N 2 0 364.578 3.061 20 0 FGADRP CC1(C)CCC(C(=O)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000565038313 504778050 /nfs/dbraw/zinc/77/80/50/504778050.db2.gz CQVSELKQDAEMBD-UHFFFAOYSA-N 2 0 357.542 3.313 20 0 FGADRP C[NH+]1CCC2(CC1)C[C@H]([NH2+]C[C@@H](CO)Cc1ccco1)c1ccccc1O2 ZINC000559116547 504785658 /nfs/dbraw/zinc/78/56/58/504785658.db2.gz WQAKKSHCFKTKKY-PXNSSMCTSA-N 2 0 370.493 3.008 20 0 FGADRP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1ccc(F)c2ccccc21 ZINC000556076798 504791692 /nfs/dbraw/zinc/79/16/92/504791692.db2.gz RKVKDQYKUCENBD-CVEARBPZSA-N 2 0 357.473 3.217 20 0 FGADRP CCO[C@@H]1C[C@H]([NH2+][C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)[C@H]1n1cccn1 ZINC000556270143 504832448 /nfs/dbraw/zinc/83/24/48/504832448.db2.gz ZVYIWHXRMUDYMG-WHCFWRGISA-N 2 0 368.525 3.102 20 0 FGADRP c1ccc(C[N@H+]2C[C@@H](C[NH2+]C3CCSCC3)C3(C2)CCOCC3)cc1 ZINC000559326080 504835233 /nfs/dbraw/zinc/83/52/33/504835233.db2.gz BBASCWDGYMWCJP-LJQANCHMSA-N 2 0 360.567 3.400 20 0 FGADRP COc1cccc(NC(=O)[C@H](c2ccccc2)[N@@H+]2CCC[C@H](CC[NH3+])C2)c1 ZINC000565303538 504849098 /nfs/dbraw/zinc/84/90/98/504849098.db2.gz RSYUFBZORHCIGN-UTKZUKDTSA-N 2 0 367.493 3.436 20 0 FGADRP Clc1cccc(OCC[NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)c1Cl ZINC000565416072 504880752 /nfs/dbraw/zinc/88/07/52/504880752.db2.gz QMCYWERWXQVOST-VHDGCEQUSA-N 2 0 359.297 3.119 20 0 FGADRP O=C(c1ccc2c[nH+]cn2c1)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000559548557 504884978 /nfs/dbraw/zinc/88/49/78/504884978.db2.gz NEYXHBWCUYCMCW-UGKGYDQZSA-N 2 0 374.488 3.461 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)C[C@H]2C[NH+](Cc3ccccc3)CCCO2)C[C@@H]1C ZINC000556497886 504889323 /nfs/dbraw/zinc/88/93/23/504889323.db2.gz QJBHFRYFEJMOPP-BVSLBCMMSA-N 2 0 359.558 3.082 20 0 FGADRP CC1(C)CC([NH2+]C[C@@H](O)COc2cccc3ccccc32)CC(C)(C)[NH2+]1 ZINC000559582009 504891280 /nfs/dbraw/zinc/89/12/80/504891280.db2.gz OPSKCTKEOUNFTE-GOSISDBHSA-N 2 0 356.510 3.478 20 0 FGADRP CCC[C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2)CC[N@@H+]1Cc1ccccc1 ZINC000559619570 504898109 /nfs/dbraw/zinc/89/81/09/504898109.db2.gz ONOXYUVVCMPWHF-OAQYLSRUSA-N 2 0 362.477 3.461 20 0 FGADRP Cc1n[nH]c(C)c1C[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000549879428 504923947 /nfs/dbraw/zinc/92/39/47/504923947.db2.gz BGQLGSNCMURZEB-FQEVSTJZSA-N 2 0 368.525 3.045 20 0 FGADRP CCCN(CC[NH+]1CCCCC1)C(=O)C1CCN(c2cc[nH+]cc2C)CC1 ZINC000553488745 504929299 /nfs/dbraw/zinc/92/92/99/504929299.db2.gz BUADTQHDYCZAFJ-UHFFFAOYSA-N 2 0 372.557 3.331 20 0 FGADRP C[C@@H](NC(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1)[C@@H]1CCC[NH2+]C1 ZINC000562795989 504948465 /nfs/dbraw/zinc/94/84/65/504948465.db2.gz FYXVMAMXQBPSMW-WIYYLYMNSA-N 2 0 372.557 3.250 20 0 FGADRP C[C@H](C(=O)N1CCN(c2cc[nH+]c3ccccc32)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000556832973 504988873 /nfs/dbraw/zinc/98/88/73/504988873.db2.gz NYUSEJZVEBFLCZ-FGTMMUONSA-N 2 0 366.509 3.145 20 0 FGADRP CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)[C@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)c1 ZINC000565796775 504989795 /nfs/dbraw/zinc/98/97/95/504989795.db2.gz ZYQSUJBATBAPBQ-BBWFWOEESA-N 2 0 374.529 3.167 20 0 FGADRP c1ccc(C[N@H+]2C[C@@H](C[NH2+]Cc3cccnc3)C3(C2)CCOCC3)cc1 ZINC000550262978 505005635 /nfs/dbraw/zinc/00/56/35/505005635.db2.gz QBQASDMCDKYHBH-OAQYLSRUSA-N 2 0 351.494 3.100 20 0 FGADRP Cc1ncc(C[NH2+][C@@H]2CCCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c(=O)[nH]1 ZINC000556889945 505007588 /nfs/dbraw/zinc/00/75/88/505007588.db2.gz LOUUBCOHCNYIDH-HMXCVIKNSA-N 2 0 366.509 3.271 20 0 FGADRP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]CCn3cc(Br)cn3)CC2)C1 ZINC000556924142 505018463 /nfs/dbraw/zinc/01/84/63/505018463.db2.gz HCVSLBGFPSJSCP-RHSMWYFYSA-N 2 0 369.351 3.278 20 0 FGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCc1ccccc1C[NH+]1CCC(C)CC1 ZINC000556936344 505023413 /nfs/dbraw/zinc/02/34/13/505023413.db2.gz MXLUOAKSXIILRW-OAQYLSRUSA-N 2 0 357.542 3.409 20 0 FGADRP C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)C[C@@H]2CCCC[C@H]2[NH3+])CC1 ZINC000563047893 505033483 /nfs/dbraw/zinc/03/34/83/505033483.db2.gz JWAFBBCNUJZDDD-LEWJYISDSA-N 2 0 357.542 3.265 20 0 FGADRP C[C@@H]1[C@@H](NC(=O)Nc2cccc3c2CC[NH2+]C3)CC[N@@H+]1Cc1ccccc1 ZINC000557028831 505048025 /nfs/dbraw/zinc/04/80/25/505048025.db2.gz SHKZXJUPSNZRTK-UZLBHIALSA-N 2 0 364.493 3.117 20 0 FGADRP C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)NC[C@@]3(C)CCC[NH2+]C3)cc2)C1 ZINC000557115943 505068881 /nfs/dbraw/zinc/06/88/81/505068881.db2.gz FDNJOJJXTPVAGD-AVRDEDQJSA-N 2 0 372.557 3.107 20 0 FGADRP COC[C@H]([NH2+]CCCN1CC[N@H+](C)C[C@@H]1c1ccccc1)c1ccccc1 ZINC000554050851 505076717 /nfs/dbraw/zinc/07/67/17/505076717.db2.gz VUHFSFATBDERJL-XZOQPEGZSA-N 2 0 367.537 3.343 20 0 FGADRP CC(C)(C)[C@@H]1CC[C@H]1[NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000554072038 505081104 /nfs/dbraw/zinc/08/11/04/505081104.db2.gz OZAVCZNIJFFLEW-VAMGGRTRSA-N 2 0 357.542 3.298 20 0 FGADRP O[C@@H](C[NH2+]CC1CC[NH+](C2CC2)CC1)COc1ccc2ccccc2c1 ZINC000566125063 505090189 /nfs/dbraw/zinc/09/01/89/505090189.db2.gz OHHDPPAZXKCFJO-NRFANRHFSA-N 2 0 354.494 3.044 20 0 FGADRP C[C@@H](C[NH2+][C@H](c1cccc(OC(F)(F)F)c1)C1CC1)N1CC[NH+](C)CC1 ZINC000560529917 505116277 /nfs/dbraw/zinc/11/62/77/505116277.db2.gz MOYINTNXBMTQRS-KSSFIOAISA-N 2 0 371.447 3.262 20 0 FGADRP CCc1ccc(C[NH2+]Cc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)s1 ZINC000563370377 505122783 /nfs/dbraw/zinc/12/27/83/505122783.db2.gz YXIUNMKJMYVWIT-UHFFFAOYSA-N 2 0 371.550 3.298 20 0 FGADRP CC(C)(C)[C@@H]1NC(=O)CC[C@H]1[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000560576135 505130687 /nfs/dbraw/zinc/13/06/87/505130687.db2.gz UAKGMNAEUOYOLS-SXEONFLVSA-N 2 0 369.553 3.180 20 0 FGADRP Cc1nc(C[NH2+]CCCC[NH+]2CCN(c3cccc(C)c3)CC2)[nH]c1C ZINC000563441481 505142222 /nfs/dbraw/zinc/14/22/22/505142222.db2.gz RVMAGQFPIMCSPS-UHFFFAOYSA-N 2 0 355.530 3.027 20 0 FGADRP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)Nc1cccc(CC[NH+]2CCC(C)CC2)c1 ZINC000563478634 505150869 /nfs/dbraw/zinc/15/08/69/505150869.db2.gz FVJCZIHPRSVEKP-MJGOQNOKSA-N 2 0 358.530 3.162 20 0 FGADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)Nc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000563500418 505158371 /nfs/dbraw/zinc/15/83/71/505158371.db2.gz DPDXAQUQYWBHAP-IERDGZPVSA-N 2 0 364.493 3.289 20 0 FGADRP CC(C)[N@H+](C)CC1CCN(C(=O)N[C@H]2CC[NH+](C)[C@H]2c2ccccc2)CC1 ZINC000551111680 505159467 /nfs/dbraw/zinc/15/94/67/505159467.db2.gz NVZBNVNLMWHLGC-SFTDATJTSA-N 2 0 372.557 3.194 20 0 FGADRP O=C(NCCC[NH+]1CCCC1)C1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000566396917 505163938 /nfs/dbraw/zinc/16/39/38/505163938.db2.gz RMXBPEIYJPVOHR-POHAHGRESA-N 2 0 355.526 3.014 20 0 FGADRP Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC000557584000 505175143 /nfs/dbraw/zinc/17/51/43/505175143.db2.gz GGRUNUSEDFFAKE-UHFFFAOYSA-N 2 0 361.555 3.214 20 0 FGADRP CC[C@H](Cn1cncn1)[NH2+]Cc1ccc(C[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000551270526 505190320 /nfs/dbraw/zinc/19/03/20/505190320.db2.gz OEXOOIRIDKMJIW-BBTUJRGHSA-N 2 0 355.530 3.324 20 0 FGADRP Cc1ccc(Cl)c(OC[C@H](O)C[NH2+]C[C@H]2CCC[N@@H+](CC(C)C)C2)c1 ZINC000563618652 505194088 /nfs/dbraw/zinc/19/40/88/505194088.db2.gz ZOFZWFWICAFZME-QZTJIDSGSA-N 2 0 368.949 3.346 20 0 FGADRP CCN1CC[NH+](CCCC[NH2+][C@H]2C[C@@H](Oc3ccccc3)C2(C)C)CC1 ZINC000551537086 505246887 /nfs/dbraw/zinc/24/68/87/505246887.db2.gz LSCRRJNZWUJQJL-LEWJYISDSA-N 2 0 359.558 3.240 20 0 FGADRP CC(C)[NH+]1CCC(O)(C[NH2+]Cc2c(F)cccc2OC(F)(F)F)CC1 ZINC000551596811 505264427 /nfs/dbraw/zinc/26/44/27/505264427.db2.gz JOTQQJJUKWZKKU-UHFFFAOYSA-N 2 0 364.383 3.049 20 0 FGADRP Clc1ccc2c(ccn2CC[NH+]2CCC(C[NH+]3CCOCC3)CC2)c1 ZINC000566766217 505266283 /nfs/dbraw/zinc/26/62/83/505266283.db2.gz BQXZGUAONFOUMP-UHFFFAOYSA-N 2 0 361.917 3.339 20 0 FGADRP CC[NH+](CC)CCn1ccc2cc(NC(=O)c3coc(C[NH3+])c3)ccc21 ZINC000563954636 505287731 /nfs/dbraw/zinc/28/77/31/505287731.db2.gz HZMDEDBVLXMCJZ-UHFFFAOYSA-N 2 0 354.454 3.287 20 0 FGADRP C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2C[NH2+]Cc3ccccc32)[C@H]1c1cccs1 ZINC000563955554 505288188 /nfs/dbraw/zinc/28/81/88/505288188.db2.gz KURLHIJFSBSCJB-KPFFTGBYSA-N 2 0 369.534 3.134 20 0 FGADRP C[C@H](CC(=O)OC(C)(C)C)[NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000551814113 505316750 /nfs/dbraw/zinc/31/67/50/505316750.db2.gz LFKVEHMXCXNXQP-MRXNPFEDSA-N 2 0 362.514 3.370 20 0 FGADRP C[NH+](C)CCOc1cnccc1C[NH2+]Cc1cccc(Br)c1 ZINC000558137246 505317654 /nfs/dbraw/zinc/31/76/54/505317654.db2.gz CSPYAKCUTIOOHF-UHFFFAOYSA-N 2 0 364.287 3.074 20 0 FGADRP CC(C)[C@H](CNC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1)[N@@H+]1CCc2ccccc2C1 ZINC000558146761 505319966 /nfs/dbraw/zinc/31/99/66/505319966.db2.gz NMAHZZYLXGDHMY-QESAQDPVSA-N 2 0 369.553 3.106 20 0 FGADRP CCc1cc(CCC[NH+]2CCC(CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)on1 ZINC000564250054 505362621 /nfs/dbraw/zinc/36/26/21/505362621.db2.gz AJIVQHDZWCGNEH-HDICACEKSA-N 2 0 363.546 3.381 20 0 FGADRP C[C@@H]1[C@@H](NC(=O)NCCC[NH+]2CCCC[C@H]2C)CC[N@@H+]1Cc1ccccc1 ZINC000558380411 505371663 /nfs/dbraw/zinc/37/16/63/505371663.db2.gz QELISQYWVSDDEB-SBHAEUEKSA-N 2 0 372.557 3.213 20 0 FGADRP COC(=O)c1cc(C[NH2+]Cc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)cn1C ZINC000564298702 505376588 /nfs/dbraw/zinc/37/65/88/505376588.db2.gz NBKGLWKKKBVZFP-QGZVFWFLSA-N 2 0 369.509 3.476 20 0 FGADRP C[C@H]([NH2+]C1(CO)Cc2ccccc2C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000567147511 505376971 /nfs/dbraw/zinc/37/69/71/505376971.db2.gz PHOHSQCRIHRYOO-PGRDOPGGSA-N 2 0 350.506 3.017 20 0 FGADRP C[C@H]([NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc2c(c1)OCC(=O)N2 ZINC000552057268 505384699 /nfs/dbraw/zinc/38/46/99/505384699.db2.gz MJODSTSKHHJPOR-FUHWJXTLSA-N 2 0 365.477 3.190 20 0 FGADRP C[NH+]1CCC(Oc2ccc(C[NH2+][C@@H]3CC[N@H+](C)[C@H]4CCC[C@H]43)cc2)CC1 ZINC000552063798 505387239 /nfs/dbraw/zinc/38/72/39/505387239.db2.gz NLCBBKSWHOJVLC-BDTNDASRSA-N 3 0 357.542 3.122 20 0 FGADRP Cc1ccc(Cl)c(OC[C@@H](O)C[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)c1 ZINC000564371911 505397869 /nfs/dbraw/zinc/39/78/69/505397869.db2.gz PVAJBPYAVGSANH-HNNXBMFYSA-N 2 0 354.922 3.287 20 0 FGADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)Nc1cccc(-c2ccccc2)c1 ZINC000558511745 505413752 /nfs/dbraw/zinc/41/37/52/505413752.db2.gz UHTFAHUNJLAXST-UHFFFAOYSA-N 2 0 354.498 3.311 20 0 FGADRP CCC[NH+]1CCN(c2ccccc2CN2CC[C@@H]([NH+]3CCCC3)[C@H]2C)CC1 ZINC000564497834 505434225 /nfs/dbraw/zinc/43/42/25/505434225.db2.gz MXCGINHGVIBXCY-IFMALSPDSA-N 2 0 370.585 3.277 20 0 FGADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)N[C@H](c1ccccc1)C1CCCC1 ZINC000564505091 505436196 /nfs/dbraw/zinc/43/61/96/505436196.db2.gz NLCSJDIXXWBNSH-HXUWFJFHSA-N 2 0 360.546 3.053 20 0 FGADRP CN(C)C(=O)CCC[NH2+][C@@H]1CCCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000552251222 505441428 /nfs/dbraw/zinc/44/14/28/505441428.db2.gz OHOAJYMMSWYNDZ-PCCBWWKXSA-N 2 0 357.542 3.135 20 0 FGADRP CC[C@@H](C(=O)N1CCC(CCC[NH+](C)C)CC1)[N@H+](C)Cc1ccccc1 ZINC000555622279 505477166 /nfs/dbraw/zinc/47/71/66/505477166.db2.gz QNBFBRFEFSEJNU-NRFANRHFSA-N 2 0 359.558 3.477 20 0 FGADRP CC[C@H](C(=O)N1CCC(CCC[NH+](C)C)CC1)[N@H+](C)Cc1ccccc1 ZINC000555622280 505477797 /nfs/dbraw/zinc/47/77/97/505477797.db2.gz QNBFBRFEFSEJNU-OAQYLSRUSA-N 2 0 359.558 3.477 20 0 FGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NCc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000552433578 505491167 /nfs/dbraw/zinc/49/11/67/505491167.db2.gz QJESKYWTOZATKH-OAQYLSRUSA-N 2 0 373.541 3.039 20 0 FGADRP CC(C)[C@@H](C[NH2+][C@@H]1CCCc2c3ccccc3[nH]c21)N1CC[NH+](C)CC1 ZINC000564755444 505510934 /nfs/dbraw/zinc/51/09/34/505510934.db2.gz ZDPFFDJPGBRPKB-NHCUHLMSSA-N 2 0 354.542 3.407 20 0 FGADRP O=C(Nc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1)c1ccc(F)cc1 ZINC000564791838 505520906 /nfs/dbraw/zinc/52/09/06/505520906.db2.gz PRVIMRKJFIZSPM-YOFSQIOKSA-N 2 0 353.441 3.451 20 0 FGADRP c1cn(Cc2ccc(C[NH2+][C@@H]3C[C@@]4(CC[NH2+]C4)Oc4ccccc43)cc2)cn1 ZINC000567642315 505522416 /nfs/dbraw/zinc/52/24/16/505522416.db2.gz GUTAMADXAYRNND-FYYLOGMGSA-N 2 0 374.488 3.277 20 0 FGADRP C[C@H](OC[C@H](O)C[NH2+][C@H]1CCC[C@H]([NH+](C)C)C1)c1ccc(Cl)cc1 ZINC000564848456 505537579 /nfs/dbraw/zinc/53/75/79/505537579.db2.gz FEQFPELSACVEPC-UDTPNQRGSA-N 2 0 354.922 3.241 20 0 FGADRP Cc1ccccc1[C@@H]([NH3+])C(=O)Nc1ccc(OCC[N@H+]2CC[C@@H](C)C2)cc1 ZINC000564924574 505559539 /nfs/dbraw/zinc/55/95/39/505559539.db2.gz MCGJFZNYVNIELC-IIBYNOLFSA-N 2 0 367.493 3.354 20 0 FGADRP [NH3+]CCC[C@@H](NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000564955331 505562831 /nfs/dbraw/zinc/56/28/31/505562831.db2.gz XBCIYRNKJOZPSE-FCHUYYIVSA-N 2 0 365.521 3.495 20 0 FGADRP O=C(Nc1nc(C2CC[NH2+]CC2)cs1)[C@@H]1CCCN1Cc1ccccc1 ZINC000564956796 505562853 /nfs/dbraw/zinc/56/28/53/505562853.db2.gz SZPJVCUIAAHQNY-SFHVURJKSA-N 2 0 370.522 3.213 20 0 FGADRP c1ccc(CN2CC[C@H]([NH2+]CCCOC[C@@H]3CCOC3)CC23CC3)cc1 ZINC000567851340 505568226 /nfs/dbraw/zinc/56/82/26/505568226.db2.gz ALYXVUVHQWJTTJ-SFTDATJTSA-N 2 0 358.526 3.216 20 0 FGADRP C[NH+](C)CCOc1ccc(C[N@@H+]2CCC[C@@H](C(=O)OC(C)(C)C)C2)cc1 ZINC000589197032 506479851 /nfs/dbraw/zinc/47/98/51/506479851.db2.gz UUGGBRYYWXOMDX-GOSISDBHSA-N 2 0 362.514 3.181 20 0 FGADRP CCOC(=O)C1([C@@H](C)[NH2+][C@@H](c2ccccc2F)C(C)C)CC[NH2+]CC1 ZINC000596647928 506508110 /nfs/dbraw/zinc/50/81/10/506508110.db2.gz CZSYOOKDQWICPS-CRAIPNDOSA-N 2 0 350.478 3.434 20 0 FGADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]CCc1ccc(I)cc1 ZINC000596651199 506512037 /nfs/dbraw/zinc/51/20/37/506512037.db2.gz BFOYLCBIXBYEPT-HUUCEWRRSA-N 2 0 358.267 3.083 20 0 FGADRP C[C@H]([NH2+]CCC1CC[NH2+]CC1)c1ccc(I)cc1 ZINC000593324467 506541495 /nfs/dbraw/zinc/54/14/95/506541495.db2.gz WNCKYRCDDPPDSS-LBPRGKRZSA-N 2 0 358.267 3.332 20 0 FGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC(C[NH+](C)Cc2ccccc2)CC1 ZINC000589506003 506572597 /nfs/dbraw/zinc/57/25/97/506572597.db2.gz LEUUYEHVPBPHRF-OAQYLSRUSA-N 2 0 357.542 3.231 20 0 FGADRP Cc1ccc(NC(=O)[C@@H]2CCC[N@H+](Cc3cccnc3)C2)c(C[NH+](C)C)c1 ZINC000603694540 506597747 /nfs/dbraw/zinc/59/77/47/506597747.db2.gz DMTKOVZYZUNJDR-LJQANCHMSA-N 2 0 366.509 3.302 20 0 FGADRP CC(CN(C)CC[C@H]1CCCC[N@@H+]1C)C[NH+](C)CC[C@H]1CCCC[NH+]1C ZINC000608565690 506611864 /nfs/dbraw/zinc/61/18/64/506611864.db2.gz KSUCPGYAFFPFTL-FGZHOGPDSA-N 3 0 366.638 3.235 20 0 FGADRP CC[NH+]1CCC(CNC(=O)N2C[C@@H](C)[N@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000583255264 506679950 /nfs/dbraw/zinc/67/99/50/506679950.db2.gz TZQOQGVKRIDONK-MOPGFXCFSA-N 2 0 372.557 3.023 20 0 FGADRP CCN(CC(=O)NCCc1ccc(F)cc1)Cc1ccc(C[NH+](C)C)cc1 ZINC000589999814 506701875 /nfs/dbraw/zinc/70/18/75/506701875.db2.gz XDDGBABZLHBJAK-UHFFFAOYSA-N 2 0 371.500 3.068 20 0 FGADRP C[NH+](C)C1(CNC(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2)CCCCC1 ZINC000604073709 506703695 /nfs/dbraw/zinc/70/36/95/506703695.db2.gz IIXKPGXYDNHHEE-HXUWFJFHSA-N 2 0 372.557 3.215 20 0 FGADRP CC(C)(C)[C@@H]([NH2+]CCC(=O)N1CC[NH2+]CC1)c1cccc(C(F)(F)F)c1 ZINC000583322980 506716853 /nfs/dbraw/zinc/71/68/53/506716853.db2.gz PYUNWBYDRRKOAH-KRWDZBQOSA-N 2 0 371.447 3.204 20 0 FGADRP C[C@H](c1ccc(Cl)cc1)N(C)C(=O)C[N@@H+]1CC[C@@H](c2nccn2C)C1 ZINC000583330104 506720991 /nfs/dbraw/zinc/72/09/91/506720991.db2.gz MZWDYYOMYAZIMW-GDBMZVCRSA-N 2 0 360.889 3.082 20 0 FGADRP Cc1cccc(CN(CC[NH+](C)C)C(=O)N[C@H](C)C[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000604179044 506739213 /nfs/dbraw/zinc/73/92/13/506739213.db2.gz ANHODMGKKUNDSL-WOJBJXKFSA-N 2 0 374.573 3.189 20 0 FGADRP CC[NH+](CC)C[C@H](C)NC(=O)N[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000604183027 506740787 /nfs/dbraw/zinc/74/07/87/506740787.db2.gz ULRIXFXQKNVCST-ICSRJNTNSA-N 2 0 360.546 3.243 20 0 FGADRP O=C(NCc1cccc(C[NH+]2CCCCCC2)c1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000604186112 506742157 /nfs/dbraw/zinc/74/21/57/506742157.db2.gz LWDXLMKKCUEJQT-HXUWFJFHSA-N 2 0 370.541 3.099 20 0 FGADRP O=C(NCc1ccccc1C[NH+]1CCCCCC1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000604199979 506748189 /nfs/dbraw/zinc/74/81/89/506748189.db2.gz SWKFVDIYIKVIBD-FQEVSTJZSA-N 2 0 370.541 3.099 20 0 FGADRP O=C(NCc1ccccc1C[NH+]1CCCCCC1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000604199980 506748886 /nfs/dbraw/zinc/74/88/86/506748886.db2.gz SWKFVDIYIKVIBD-HXUWFJFHSA-N 2 0 370.541 3.099 20 0 FGADRP O=C(N[C@@H](C[NH+]1CCCCC1)c1ccccc1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000604202210 506750054 /nfs/dbraw/zinc/75/00/54/506750054.db2.gz STQOAKPNOPWYKE-SFTDATJTSA-N 2 0 370.541 3.093 20 0 FGADRP CCOC(=O)c1[nH]c(C)c(CN(Cc2ccco2)C2CC[NH+](C)CC2)c1C ZINC000600167106 506818363 /nfs/dbraw/zinc/81/83/63/506818363.db2.gz ONCQOXFDBHSRJG-UHFFFAOYSA-N 2 0 373.497 3.498 20 0 FGADRP COC(=O)Cc1ccc(C[NH2+][C@H]2CCCN(Cc3ccccc3)C2)cc1 ZINC000600188125 506830491 /nfs/dbraw/zinc/83/04/91/506830491.db2.gz VLVNJMYFWRSYTF-NRFANRHFSA-N 2 0 352.478 3.156 20 0 FGADRP Cc1ccc([C@H]([NH2+][C@@H]2CC[C@@H](C[NH3+])C2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000583559030 506848585 /nfs/dbraw/zinc/84/85/85/506848585.db2.gz NHGKSPMAYFMSTO-BSIFCXSSSA-N 2 0 372.534 3.205 20 0 FGADRP COC(=O)C(C)(C)CC[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000597231278 506849551 /nfs/dbraw/zinc/84/95/51/506849551.db2.gz PUGWUYLKMPCCIR-IBGZPJMESA-N 2 0 358.526 3.468 20 0 FGADRP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)NCCC[N@H+](C)Cc1ccccc1 ZINC000594077327 506927664 /nfs/dbraw/zinc/92/76/64/506927664.db2.gz RFJIKGDKKJOADN-RTBURBONSA-N 2 0 360.546 3.071 20 0 FGADRP OC[C@H]([NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1)c1ccc(F)cc1 ZINC000604769917 506935017 /nfs/dbraw/zinc/93/50/17/506935017.db2.gz LWQZZYOALVVTDO-NRFANRHFSA-N 2 0 358.457 3.124 20 0 FGADRP C[NH+](C)CC[C@H](NC(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C)C(C)(C)C ZINC000604807341 506950965 /nfs/dbraw/zinc/95/09/65/506950965.db2.gz FGYPXQMVUVZKOF-MSOLQXFVSA-N 2 0 366.525 3.094 20 0 FGADRP CC(C)[N@H+](C)CC1CC[NH+](CCC(=O)N2CCc3sccc3C2)CC1 ZINC000590818893 506979427 /nfs/dbraw/zinc/97/94/27/506979427.db2.gz GSUYMXZTPMVNCZ-UHFFFAOYSA-N 2 0 363.571 3.075 20 0 FGADRP CC1=C[C@H](C)C[C@H](C[NH+]2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)C1 ZINC000583864290 507017707 /nfs/dbraw/zinc/01/77/07/507017707.db2.gz COUYQSVPTMOJNO-ICSRJNTNSA-N 2 0 361.574 3.293 20 0 FGADRP O[C@H](C[NH2+]C1CC[NH+](C2CCC2)CC1)CO[C@@H]1CCCc2ccccc21 ZINC000583930222 507055184 /nfs/dbraw/zinc/05/51/84/507055184.db2.gz UUNHLPCPUFYYFB-IFMALSPDSA-N 2 0 358.526 3.048 20 0 FGADRP CC(C)[C@H](C(=O)NC[C@@H](C)[N@@H+]1CCc2ccccc2C1)[NH+]1CCCCC1 ZINC000591128292 507126325 /nfs/dbraw/zinc/12/63/25/507126325.db2.gz SDTCUMVTVLDZFZ-WIYYLYMNSA-N 2 0 357.542 3.060 20 0 FGADRP C[NH+](C)C1(CNC(=O)NCCCCC[NH+]2CCCCC2)CCCCC1 ZINC000600840745 507144786 /nfs/dbraw/zinc/14/47/86/507144786.db2.gz XCZXNMBGJRXMEC-UHFFFAOYSA-N 2 0 352.567 3.206 20 0 FGADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000600861705 507150720 /nfs/dbraw/zinc/15/07/20/507150720.db2.gz OIJXJNNXFNPMRE-NRFANRHFSA-N 2 0 372.557 3.072 20 0 FGADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCC[NH+](C)C2CCCC2)C1 ZINC000600871824 507156339 /nfs/dbraw/zinc/15/63/39/507156339.db2.gz GXNCFAIGYRTSJZ-QGZVFWFLSA-N 2 0 352.567 3.061 20 0 FGADRP O=C(NCCCCC[NH+]1CCCCC1)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000600901448 507171361 /nfs/dbraw/zinc/17/13/61/507171361.db2.gz GHZKCBXOMJGDPW-OAQYLSRUSA-N 2 0 372.557 3.216 20 0 FGADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000605404645 507179724 /nfs/dbraw/zinc/17/97/24/507179724.db2.gz MHSZARCCBZKAER-SJORKVTESA-N 2 0 352.482 3.097 20 0 FGADRP C[NH+]1CCN(C[C@H]([NH2+]C2CCC(C(F)F)CC2)c2ccccc2)CC1 ZINC000584211055 507215077 /nfs/dbraw/zinc/21/50/77/507215077.db2.gz PROHNDDGUMFLEI-ACBHZAAOSA-N 2 0 351.485 3.389 20 0 FGADRP C[NH+](C)CCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC000591445050 507252019 /nfs/dbraw/zinc/25/20/19/507252019.db2.gz AWWPNQRCUPILPD-OAHLLOKOSA-N 2 0 372.340 3.225 20 0 FGADRP CC(C)[C@H](CNC(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1)[NH+]1CCCC1 ZINC000591559043 507292249 /nfs/dbraw/zinc/29/22/49/507292249.db2.gz CHPJFHREEISZAZ-ZCNNSNEGSA-N 2 0 366.594 3.164 20 0 FGADRP CC(C)[NH2+][C@H]1CCCN(C(=O)NC[C@H](c2ccccc2Cl)N(C)C)C1 ZINC000601215445 507298653 /nfs/dbraw/zinc/29/86/53/507298653.db2.gz DRRAQDJVAOJGTC-MAUKXSAKSA-N 2 0 366.937 3.115 20 0 FGADRP COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000595001550 507349178 /nfs/dbraw/zinc/34/91/78/507349178.db2.gz WXKQDULYVMMZED-MTFMMBMASA-N 2 0 356.510 3.076 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)N1CC[N@H+](C)C[C@@H]1C(C)C)c1ccsc1 ZINC000606637836 507461892 /nfs/dbraw/zinc/46/18/92/507461892.db2.gz HJFJUTLSPIJWBY-ZWKOTPCHSA-N 2 0 366.575 3.113 20 0 FGADRP CC[NH+](CC)CCN(Cc1ccccc1)C(=O)N[C@H](C)C1CC[NH+](C)CC1 ZINC000606700346 507486979 /nfs/dbraw/zinc/48/69/79/507486979.db2.gz IJIBLRFBNXQAJL-LJQANCHMSA-N 2 0 374.573 3.270 20 0 FGADRP C[C@@H]1CN(Cc2ccccn2)CC[C@H]1[NH2+]CCCCC(=O)OC(C)(C)C ZINC000611367560 507644607 /nfs/dbraw/zinc/64/46/07/507644607.db2.gz KHOXOLXRYKMDOF-IEBWSBKVSA-N 2 0 361.530 3.394 20 0 FGADRP C[C@H]1CCC[N@H+](CCNC(=O)N2CCC[NH+](Cc3ccccc3)C[C@H]2C)C1 ZINC000607175903 507645408 /nfs/dbraw/zinc/64/54/08/507645408.db2.gz ZCKMJSKRBYWENB-VQTJNVASSA-N 2 0 372.557 3.024 20 0 FGADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)N1CCC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000607231425 507662754 /nfs/dbraw/zinc/66/27/54/507662754.db2.gz RXGLVBMWJRBLCR-PMACEKPBSA-N 2 0 372.557 3.167 20 0 FGADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000595825832 507701604 /nfs/dbraw/zinc/70/16/04/507701604.db2.gz JSCICDKNUQZGRR-UXHICEINSA-N 2 0 364.578 3.301 20 0 FGADRP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccc(CC(F)(F)F)cc3)C2)CC1 ZINC000602465912 507718521 /nfs/dbraw/zinc/71/85/21/507718521.db2.gz RZLUYUROHNGOKN-GOSISDBHSA-N 2 0 355.448 3.003 20 0 FGADRP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000669125179 568086144 /nfs/dbraw/zinc/08/61/44/568086144.db2.gz XPKPPNZNZSNVFE-LVCYWYKZSA-N 2 0 372.557 3.330 20 0 FGADRP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)CC[N@@H+]1C ZINC000824894562 608362671 /nfs/dbraw/zinc/36/26/71/608362671.db2.gz YSWBLWYELVFXLT-QAPCUYQASA-N 2 0 362.481 3.106 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+][C@H]1CCCc2cc(-c3nn[nH]n3)ccc21 ZINC000824935390 608501484 /nfs/dbraw/zinc/50/14/84/608501484.db2.gz ALDDJFLSUOOAHW-UZLBHIALSA-N 2 0 368.529 3.488 20 0 FGADRP C[C@@H]1CCC[N@H+](CCCC[NH2+][C@@H]2CCCc3cc(-c4nn[nH]n4)ccc32)C1 ZINC000824945772 608501653 /nfs/dbraw/zinc/50/16/53/608501653.db2.gz FLMDKWZZLDJQHP-OXQOHEQNSA-N 2 0 368.529 3.346 20 0 FGADRP C[C@@H]([NH2+]CCCC[N@@H+]1CCCC[C@@H]1C)c1ccc(-c2nn[nH]n2)cc1F ZINC000824585283 609326038 /nfs/dbraw/zinc/32/60/38/609326038.db2.gz PCFFCELHBNCCSO-LSDHHAIUSA-N 2 0 360.481 3.311 20 0 FGADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=S)Nc1ccc2c(c1)CCC2 ZINC000053515543 695930079 /nfs/dbraw/zinc/93/00/79/695930079.db2.gz YQFJYXBUXPLUNO-UHFFFAOYSA-N 2 0 362.587 3.078 20 0 FGADRP CCC[N@H+](C)C[C@@H]1CC[NH+](C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000081571046 700337613 /nfs/dbraw/zinc/33/76/13/700337613.db2.gz KPHJCBUELCULDO-ROUUACIJSA-N 2 0 353.551 3.297 20 0 FGADRP CC(C)OC(=O)N1CCC([NH2+]C2CC[NH+](C3CCCCC3)CC2)CC1 ZINC000089626646 700392407 /nfs/dbraw/zinc/39/24/07/700392407.db2.gz YDZPPQXQDOKYOU-UHFFFAOYSA-N 2 0 351.535 3.383 20 0 FGADRP C[C@@H]1CC([NH2+]Cc2c(Cl)cccc2N2CC[NH+](C)CC2)C[C@@H](C)O1 ZINC000092416927 700435371 /nfs/dbraw/zinc/43/53/71/700435371.db2.gz BMTNKKZPSATXQX-HUUCEWRRSA-N 2 0 351.922 3.137 20 0 FGADRP CC(C)(C)OC(=O)NC1(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)CCCCC1 ZINC000166429385 705344048 /nfs/dbraw/zinc/34/40/48/705344048.db2.gz QTPPFBGQMSWFLZ-DLBZAZTESA-N 2 0 351.535 3.430 20 0 FGADRP C[NH+](C)CCCOc1cccc(NC(=O)[C@H]([NH3+])c2cccc(Cl)c2)c1 ZINC000168775241 705349802 /nfs/dbraw/zinc/34/98/02/705349802.db2.gz CEDNATGQUDWOBZ-GOSISDBHSA-N 2 0 361.873 3.309 20 0 FGADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCCC[C@@H]2CNC(=O)OC(C)(C)C)C1 ZINC000180206417 705732144 /nfs/dbraw/zinc/73/21/44/705732144.db2.gz FETORUJUQIYBKW-KZNAEPCWSA-N 2 0 353.551 3.391 20 0 FGADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H](C)c1cc(Br)ccc1O ZINC000185670527 712699470 /nfs/dbraw/zinc/69/94/70/712699470.db2.gz SLHGPDBAXQOJNO-JSGCOSHPSA-N 2 0 359.308 3.162 20 0 FGADRP CC(C)[C@@H](C[NH2+][C@H]1CCSc2c(F)cccc21)N1CC[NH+](C)CC1 ZINC000194262366 713516481 /nfs/dbraw/zinc/51/64/81/713516481.db2.gz ZAJNOYFYCFAJTK-ZWKOTPCHSA-N 2 0 351.535 3.224 20 0 FGADRP C[C@H]1CCC[C@](C[NH2+]C2CCN(C(=O)OC(C)(C)C)CC2)(N(C)C)C1 ZINC000237545792 713593363 /nfs/dbraw/zinc/59/33/63/713593363.db2.gz KNHVNLIQCFSJBV-JXFKEZNVSA-N 2 0 353.551 3.486 20 0 FGADRP Brc1ccc(OCC[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cc1 ZINC000252414399 713673050 /nfs/dbraw/zinc/67/30/50/713673050.db2.gz HKYJDQZDRODDLD-WMLDXEAASA-N 2 0 353.304 3.292 20 0 FGADRP C[C@H](C(=O)N1CC[NH2+]C[C@H]1c1cccc(Cl)c1)[C@@H]([NH3+])c1ccccc1 ZINC000261722591 713713207 /nfs/dbraw/zinc/71/32/07/713713207.db2.gz JLWKTLRSERZWSY-ZOCIIQOWSA-N 2 0 357.885 3.149 20 0 FGADRP Clc1ccc(-n2cc(C[N@@H+]3CCC4(C3)CC[NH2+]CC4)nn2)c(Cl)c1 ZINC000262044680 713717814 /nfs/dbraw/zinc/71/78/14/713717814.db2.gz PPBHBMZLXUEDDZ-UHFFFAOYSA-N 2 0 366.296 3.150 20 0 FGADRP C[C@H](C(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1)[C@H]([NH3+])c1ccccc1 ZINC000263021674 713734247 /nfs/dbraw/zinc/73/42/47/713734247.db2.gz SQLKIKFYMXDBNT-ZBEGNZNMSA-N 2 0 351.372 3.439 20 0 FGADRP C[NH+](C)CCCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000310513005 713799292 /nfs/dbraw/zinc/79/92/92/713799292.db2.gz QMMGXHWXXXPECS-KSZLIROESA-N 2 0 353.551 3.486 20 0 FGADRP CC(C)(C)OC(=O)N1CC[C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C(C)(C)C1 ZINC000310677746 713800412 /nfs/dbraw/zinc/80/04/12/713800412.db2.gz QBLZSYQTZLBWFL-ZACQAIPSSA-N 2 0 351.535 3.238 20 0 FGADRP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]CCC(=O)N[C@H](c1cccs1)c1ccccc1 ZINC000641805851 717931231 /nfs/dbraw/zinc/93/12/31/717931231.db2.gz OWSZCINGWVJHGX-LMMKCTJWSA-N 2 0 357.523 3.059 20 0 FGADRP CCC[NH+]1CCC(N2CC[NH+](CCCCC3CCOCC3)CC2)CC1 ZINC000374151394 713902091 /nfs/dbraw/zinc/90/20/91/713902091.db2.gz NQRHFOWKBURMMF-UHFFFAOYSA-N 2 0 351.579 3.075 20 0 FGADRP C[C@H]([NH2+]CC1(C)CCN(C(=O)OC(C)(C)C)CC1)C1CC[NH+](C)CC1 ZINC000380988105 713977316 /nfs/dbraw/zinc/97/73/16/713977316.db2.gz GTQKTBNIAQCAFF-INIZCTEOSA-N 2 0 353.551 3.344 20 0 FGADRP CC(C)(C)OC(=O)N[C@@H]1CCCCC[C@@H]1[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000385405787 713983065 /nfs/dbraw/zinc/98/30/65/713983065.db2.gz AEQMXHISTGOOJN-VSZNYVQBSA-N 2 0 351.535 3.429 20 0 FGADRP C[C@H]([NH2+]C[C@@H](O)COc1ccc(Cl)cc1Cl)C1CC[NH+](C)CC1 ZINC000396450853 713991308 /nfs/dbraw/zinc/99/13/08/713991308.db2.gz IWTXSDIHPOOAEU-SWLSCSKDSA-N 2 0 361.313 3.053 20 0 FGADRP CCCC[NH+]1CCC(NC(=O)NCC2([NH+](C)C)CCCCCC2)CC1 ZINC000523534369 714239901 /nfs/dbraw/zinc/23/99/01/714239901.db2.gz GSRACVXFFNGQQH-UHFFFAOYSA-N 2 0 352.567 3.205 20 0 FGADRP C[C@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000579931718 714500732 /nfs/dbraw/zinc/50/07/32/714500732.db2.gz MTGCQZGSWIQRSP-HZSPNIEDSA-N 2 0 357.420 3.400 20 0 FGADRP CC(C)[C@H](C(=O)Nc1nc2ccc(C[N@H+](C)C3CC3)cc2s1)[NH+](C)C ZINC000617866188 714698107 /nfs/dbraw/zinc/69/81/07/714698107.db2.gz CSQNOAFOPYEEMV-QGZVFWFLSA-N 2 0 360.527 3.415 20 0 FGADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1cc2sccc2s1 ZINC000622417247 715073736 /nfs/dbraw/zinc/07/37/36/715073736.db2.gz HRQAEYVANLENJL-UHFFFAOYSA-N 2 0 353.557 3.308 20 0 FGADRP C[N@@H+]1CC[C@@H]([NH2+]C[C@H](CO)Cc2ccccc2C(F)(F)F)CC1(C)C ZINC000623454673 715339823 /nfs/dbraw/zinc/33/98/23/715339823.db2.gz NQSHXOCMDBTSSN-GDBMZVCRSA-N 2 0 358.448 3.319 20 0 FGADRP C[N@@H+]1CC[C@H]([NH2+]C[C@H]2CN(c3ccc(Cl)cc3)CCO2)CC1(C)C ZINC000623655317 715380366 /nfs/dbraw/zinc/38/03/66/715380366.db2.gz URZDXWUZEUJCCB-WMZOPIPTSA-N 2 0 351.922 3.008 20 0 FGADRP C[N@@H+]1CCCC[C@H](C[NH2+]C2CCN(C(=O)c3ccccc3Cl)CC2)C1 ZINC000623657036 715380751 /nfs/dbraw/zinc/38/07/51/715380751.db2.gz IOLXOQPCJPUXAU-MRXNPFEDSA-N 2 0 363.933 3.266 20 0 FGADRP CC[NH+]1CCC(CC[NH2+][C@@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2C)CC1 ZINC000779071907 724387713 /nfs/dbraw/zinc/38/77/13/724387713.db2.gz MOIAGKNVCCJDPT-SJLPKXTDSA-N 2 0 353.551 3.344 20 0 FGADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H]1CCCC[C@@H]1Sc1ccc(F)cc1 ZINC000623889910 715424933 /nfs/dbraw/zinc/42/49/33/715424933.db2.gz ZLSLBNGWBDFARV-AHRSYUTCSA-N 2 0 365.562 3.455 20 0 FGADRP C[C@H]([NH3+])C[C@H](C)NC(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000627108515 715997671 /nfs/dbraw/zinc/99/76/71/715997671.db2.gz VGJUGLJPKUQGPF-ZIBATOQPSA-N 2 0 361.317 3.021 20 0 FGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+]CCc2cccc(C(F)(F)F)c2)CC1 ZINC000628213404 716126390 /nfs/dbraw/zinc/12/63/90/716126390.db2.gz JIDZRUAMMPFWTF-MRXNPFEDSA-N 2 0 357.464 3.111 20 0 FGADRP C[NH2+]CCOCC[NH2+][C@H](c1ccc(Br)cc1Cl)C1CC1 ZINC000629530989 716304172 /nfs/dbraw/zinc/30/41/72/716304172.db2.gz WVMOFSHINYJAOG-HNNXBMFYSA-N 2 0 361.711 3.379 20 0 FGADRP [NH3+]C[C@@H]1C[N@H+](CCC(=O)Nc2ccc(Cl)cc2)CC[C@H]1C(F)(F)F ZINC000629565849 716310232 /nfs/dbraw/zinc/31/02/32/716310232.db2.gz XSGHWQNUEAIHAH-BXUZGUMPSA-N 2 0 363.811 3.128 20 0 FGADRP C[N@H+](CC(=O)NC[C@H]1CC[NH+](C)[C@@H]1c1ccc(Cl)c(F)c1)C1CCC1 ZINC000629977540 716373409 /nfs/dbraw/zinc/37/34/09/716373409.db2.gz KREKCYXNMNSATK-AUUYWEPGSA-N 2 0 367.896 3.072 20 0 FGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+]Cc2ccccc2CC(F)(F)F)CC1 ZINC000631065400 716558040 /nfs/dbraw/zinc/55/80/40/716558040.db2.gz YGGJRTWFMPRYJJ-MRXNPFEDSA-N 2 0 357.464 3.155 20 0 FGADRP C[NH+]1CCC(N2CC[C@H]([NH2+]Cc3ccccc3CC(F)(F)F)C2)CC1 ZINC000631070067 716558623 /nfs/dbraw/zinc/55/86/23/716558623.db2.gz LJZVJAMYVYGDCX-KRWDZBQOSA-N 2 0 355.448 3.050 20 0 FGADRP C[NH+](C)Cc1cccc(NC(=O)[C@H]([NH3+])c2ccc(C(F)(F)F)cc2)c1 ZINC000638067346 717406202 /nfs/dbraw/zinc/40/62/02/717406202.db2.gz RQVNRFYGOIHRRD-MRXNPFEDSA-N 2 0 351.372 3.406 20 0 FGADRP CC[NH+](CC)CCOC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCC1(F)F ZINC000803907944 724482062 /nfs/dbraw/zinc/48/20/62/724482062.db2.gz ZWSNAMTYZWLIAE-KRWDZBQOSA-N 2 0 354.441 3.029 20 0 FGADRP O=C(CC[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)Nc1cccc(C(F)(F)F)c1 ZINC000644524196 718118778 /nfs/dbraw/zinc/11/87/78/718118778.db2.gz ZSHOCIRBABDEHA-GDBMZVCRSA-N 2 0 355.404 3.250 20 0 FGADRP CN1CC[C@H](C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000647793622 718377954 /nfs/dbraw/zinc/37/79/54/718377954.db2.gz CCLRBEAAAHAUGZ-ISIBIEBGSA-N 2 0 365.924 3.450 20 0 FGADRP FC(F)(F)c1ccccc1N1CC[C@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000647795875 718378148 /nfs/dbraw/zinc/37/81/48/718378148.db2.gz YNTAMIQLHBRULD-JONQDZQNSA-N 2 0 353.432 3.262 20 0 FGADRP O=C(CC[N@H+](C1CC1)C1CC[NH2+]CC1)Nc1cccc(C(F)(F)F)c1 ZINC000647814776 718379460 /nfs/dbraw/zinc/37/94/60/718379460.db2.gz FNWVROKEPIOHES-UHFFFAOYSA-N 2 0 355.404 3.250 20 0 FGADRP O=C1[C@H]([N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)CCN1c1ccccc1Cl ZINC000647978029 718391609 /nfs/dbraw/zinc/39/16/09/718391609.db2.gz LKOBNKKKGVHGOP-TXPKVOOTSA-N 2 0 361.917 3.157 20 0 FGADRP CCc1ccc([C@H](CNC(=O)[C@@H]([NH3+])c2cccc(Cl)c2)[NH+](C)C)cc1 ZINC000649278730 718500667 /nfs/dbraw/zinc/50/06/67/718500667.db2.gz YOHDPNQFEZUXIZ-OALUTQOASA-N 2 0 359.901 3.321 20 0 FGADRP C[C@H]1CC[NH2+][C@H](C(=O)NCC2CC[NH+](Cc3ccccc3Cl)CC2)C1 ZINC000649323973 718503800 /nfs/dbraw/zinc/50/38/00/718503800.db2.gz BPEOVMURUKQABO-KXBFYZLASA-N 2 0 363.933 3.056 20 0 FGADRP Cc1ccc(C[N@@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)cc1Br ZINC000650707720 718717737 /nfs/dbraw/zinc/71/77/37/718717737.db2.gz LTKMHAQGUFNNOF-XYJFISCASA-N 2 0 367.331 3.476 20 0 FGADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@H+](Cc3cc(F)ccc3Br)C2)C1 ZINC000650708243 718718028 /nfs/dbraw/zinc/71/80/28/718718028.db2.gz WETNRHRJHPKOIR-SRCQZFHVSA-N 2 0 371.294 3.307 20 0 FGADRP C[NH2+]Cc1ccccc1C[NH2+]Cc1cc(Br)cc2c1OCC2 ZINC000650719494 718719442 /nfs/dbraw/zinc/71/94/42/718719442.db2.gz RWDZZDPNPXFOIT-UHFFFAOYSA-N 2 0 361.283 3.393 20 0 FGADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2Cc2cccc(Br)c2)C1 ZINC000650722693 718720651 /nfs/dbraw/zinc/72/06/51/718720651.db2.gz ZXYGJHPDYBWEGZ-ZACQAIPSSA-N 2 0 353.304 3.310 20 0 FGADRP COc1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)c(Cl)c1OC ZINC000650724082 718721122 /nfs/dbraw/zinc/72/11/22/718721122.db2.gz YCLNYJRCTANMCT-INMHGKMJSA-N 2 0 368.905 3.218 20 0 FGADRP Cn1cc(-c2ccc(C[N@@H+]3CCCC[C@@H]3[C@H]3C[C@@H]([NH3+])CCO3)s2)cn1 ZINC000650725334 718721653 /nfs/dbraw/zinc/72/16/53/718721653.db2.gz YPLXBKBLMPJAPE-CGTJXYLNSA-N 2 0 360.527 3.009 20 0 FGADRP CC[NH+](CCCNC(=O)N1CC[C@@H](C[N@@H+](C)CC)C1)C1CCCCC1 ZINC000651219698 718783481 /nfs/dbraw/zinc/78/34/81/718783481.db2.gz FMKFXDPKJLXYSW-SFHVURJKSA-N 2 0 352.567 3.014 20 0 FGADRP FC(F)(F)[C@@H]1CCC2(CC[NH2+]CC2)N1c1ccc(C[NH+]2CCCC2)cn1 ZINC001164413694 718880870 /nfs/dbraw/zinc/88/08/70/718880870.db2.gz KQTJTDVINKUTLE-INIZCTEOSA-N 2 0 368.447 3.331 20 0 FGADRP CC[C@@H]([NH2+]CC1CC[NH+](CC)CC1)c1cc(OC)c(OC)c(OC)c1 ZINC000652149167 718917371 /nfs/dbraw/zinc/91/73/71/718917371.db2.gz UWEFZMDBOFOPCR-QGZVFWFLSA-N 2 0 350.503 3.485 20 0 FGADRP C[C@H]1C[C@H](NC(=O)Nc2ccc(SCC[NH+]3CCCC3)cc2)CC[NH2+]1 ZINC000652613989 718966420 /nfs/dbraw/zinc/96/64/20/718966420.db2.gz KGXPGFRFHYUPQP-DOTOQJQBSA-N 2 0 362.543 3.137 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)[C@H]1CCC[NH2+]CC1)c1ccccc1Cl ZINC000653105846 719013155 /nfs/dbraw/zinc/01/31/55/719013155.db2.gz LXTOPPOUMBOWTM-MAUKXSAKSA-N 2 0 351.922 3.229 20 0 FGADRP c1ccc([C@H]2C[NH2+]C[C@@]23CCN(c2ccc(C[NH+]4CCCC4)cn2)C3)cc1 ZINC001164623030 719047734 /nfs/dbraw/zinc/04/77/34/719047734.db2.gz LMRHSSLVHSEYHG-FYYLOGMGSA-N 2 0 362.521 3.261 20 0 FGADRP C[C@@H](O)C[N@H+](Cc1cc(Cl)cc(C[NH+](C[C@H](C)O)C2CC2)c1)C1CC1 ZINC000653903577 719109482 /nfs/dbraw/zinc/10/94/82/719109482.db2.gz ISTDKWBTZALAOG-GASCZTMLSA-N 2 0 366.933 3.030 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)[C@@H]1C[C@@]12CCC[NH2+]C2)c1ccccc1Cl ZINC000655442476 719293694 /nfs/dbraw/zinc/29/36/94/719293694.db2.gz QXYGBOONXOQASB-ILZDJORESA-N 2 0 363.933 3.229 20 0 FGADRP C[C@H](Cc1ccccn1)[NH2+]Cc1c(Cl)cccc1N1CC[NH+](C)CC1 ZINC000655844191 719346066 /nfs/dbraw/zinc/34/60/66/719346066.db2.gz PLWKMLBMWURSOS-MRXNPFEDSA-N 2 0 358.917 3.208 20 0 FGADRP CC(C)[C@H](Cc1ccc(Br)cc1)[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000657843408 719720187 /nfs/dbraw/zinc/72/01/87/719720187.db2.gz CHWKAKMYMUIZLK-ROUUACIJSA-N 2 0 369.347 3.063 20 0 FGADRP FCC1(CF)CC([NH2+]CCCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000657850050 719720846 /nfs/dbraw/zinc/72/08/46/719720846.db2.gz NKKDOCWYYQZHGP-UHFFFAOYSA-N 2 0 351.485 3.266 20 0 FGADRP COC[C@@H](CC1CCOCC1)[NH2+]CC1CC[NH+](Cc2cccs2)CC1 ZINC000657860720 719722421 /nfs/dbraw/zinc/72/24/21/719722421.db2.gz KYOPPQRCBAXYCF-LJQANCHMSA-N 2 0 366.571 3.381 20 0 FGADRP C[C@H](Cc1ccc(Cl)c(C(F)(F)F)c1)[NH2+]CCOCC[NH+](C)C ZINC000657987596 719740458 /nfs/dbraw/zinc/74/04/58/719740458.db2.gz QPYSYUYXIPZWNV-GFCCVEGCSA-N 2 0 352.828 3.458 20 0 FGADRP C[C@@H]([NH2+][C@@H](C)CN(C)CCC[NH+](C)C)c1nc2ccc(Cl)cc2n1C ZINC000658107164 719757662 /nfs/dbraw/zinc/75/76/62/719757662.db2.gz KSYBPUWWPNOQAZ-LSDHHAIUSA-N 2 0 365.953 3.149 20 0 FGADRP CO[C@@H]1CCC[C@H]([C@H](CO)[NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3C)CC2)C1 ZINC000658113948 719759063 /nfs/dbraw/zinc/75/90/63/719759063.db2.gz IQCRATHKAYUNBX-FFZBTMFNSA-N 2 0 352.563 3.185 20 0 FGADRP CO[C@@H]1CCC[C@H]([C@H](CO)[NH2+]C2CC[NH+]([C@@H]3CCC[C@H](C)C3)CC2)C1 ZINC000658113509 719759177 /nfs/dbraw/zinc/75/91/77/719759177.db2.gz GYZRMZJLZULGEV-VXCLMFOKSA-N 2 0 352.563 3.185 20 0 FGADRP CC[NH+](CC)CCCN(Cc1ccc(Cl)cc1)C(=O)N[C@@H](C)[C@H](C)[NH3+] ZINC000659549373 719924986 /nfs/dbraw/zinc/92/49/86/719924986.db2.gz MRFSIPHXSUOUJC-HOTGVXAUSA-N 2 0 368.953 3.319 20 0 FGADRP CO[C@@H](C[N@H+](C)[C@@H]1CCC[NH+](C[C@@H](OC)C2CCC2)CC1)C1CCC1 ZINC000660124247 719993501 /nfs/dbraw/zinc/99/35/01/719993501.db2.gz GPCMFSVUDFRCOY-QHAWAJNXSA-N 2 0 352.563 3.403 20 0 FGADRP CC[NH+](CC)CCCC1CCN(C(=S)NC[C@H]2CCC[N@@H+]2CC)CC1 ZINC000782209569 724638785 /nfs/dbraw/zinc/63/87/85/724638785.db2.gz HEZOYGOFZXSBEY-LJQANCHMSA-N 2 0 368.635 3.179 20 0 FGADRP C[C@H]1C[N@H+](CCSc2cccc(Cl)c2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000660153730 719998304 /nfs/dbraw/zinc/99/83/04/719998304.db2.gz HEMAKDPUEBPUKJ-QFBILLFUSA-N 2 0 367.990 3.390 20 0 FGADRP CC(C)CC1([NH2+]CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)CC1 ZINC000662067702 720369633 /nfs/dbraw/zinc/36/96/33/720369633.db2.gz BKPJACZMQMLKGE-UHFFFAOYSA-N 2 0 361.555 3.342 20 0 FGADRP Brc1cccc([C@H]2CCC[N@@H+]2C[C@H]2CCC3(C[NH2+]C3)O2)c1 ZINC000662252656 720405220 /nfs/dbraw/zinc/40/52/20/720405220.db2.gz QHKSNYUMLKVXDE-HZPDHXFCSA-N 2 0 351.288 3.107 20 0 FGADRP C[C@H](NC(=O)C[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1)c1ccc(Cl)cc1 ZINC000662291097 720410642 /nfs/dbraw/zinc/41/06/42/720410642.db2.gz PBQQLHWEQHMAKG-YJBOKZPZSA-N 2 0 363.933 3.229 20 0 FGADRP C[C@H](NC(=O)C[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1)c1ccc(Cl)cc1 ZINC000662294215 720410980 /nfs/dbraw/zinc/41/09/80/720410980.db2.gz CBBSOAQLHJLIQN-YJBOKZPZSA-N 2 0 363.933 3.229 20 0 FGADRP C[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(OC(F)F)cc2)[C@@H]1CCC[NH3+] ZINC000662312993 720414229 /nfs/dbraw/zinc/41/42/29/720414229.db2.gz DXQUVPRNRBDPGK-CZUORRHYSA-N 2 0 355.429 3.066 20 0 FGADRP CC(C)C[C@H](C[NH3+])CC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000662357170 720418235 /nfs/dbraw/zinc/41/82/35/720418235.db2.gz XGGBRIIJTNUJRE-KRWDZBQOSA-N 2 0 365.949 3.432 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)c2cc3c(s2)CC[NH2+]C3)C1 ZINC000662459538 720430838 /nfs/dbraw/zinc/43/08/38/720430838.db2.gz IYUGTOIUWBDYBU-CVEARBPZSA-N 2 0 361.555 3.120 20 0 FGADRP C[NH+](C)[C@H](CNC(=O)C[C@@H]1[NH2+]Cc2ccccc21)c1ccc(Cl)cc1 ZINC000662487285 720434067 /nfs/dbraw/zinc/43/40/67/720434067.db2.gz QDCHIQOELMUCPQ-RBUKOAKNSA-N 2 0 357.885 3.294 20 0 FGADRP CC[NH+](CC)CCN(Cc1ccc(Cl)cc1)C(=O)c1ccc(C[NH3+])o1 ZINC000662656320 720450062 /nfs/dbraw/zinc/45/00/62/720450062.db2.gz PGQTWQKWPLRRKN-UHFFFAOYSA-N 2 0 363.889 3.376 20 0 FGADRP C[C@@H](C[C@H]1CCCCC[NH2+]1)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000665253172 720747612 /nfs/dbraw/zinc/74/76/12/720747612.db2.gz JCXFGWRNXWHHFN-CNVJLJKISA-N 2 0 351.485 3.311 20 0 FGADRP C[NH+](C)C[C@@H](NC(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1)c1ccc(Cl)cc1 ZINC000665554066 720784632 /nfs/dbraw/zinc/78/46/32/720784632.db2.gz FFMJEZXRDYNJCX-IAGOWNOFSA-N 2 0 366.937 3.115 20 0 FGADRP CCCC[N@H+](C)CC1CCN(C(=O)N[C@@H]2CC[NH+](C(C)(C)C)C2)CC1 ZINC000665557048 720785675 /nfs/dbraw/zinc/78/56/75/720785675.db2.gz LISOETMIXJPLCD-GOSISDBHSA-N 2 0 352.567 3.013 20 0 FGADRP Cn1ccc2c1cc[nH+]c2N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164897078 721522958 /nfs/dbraw/zinc/52/29/58/721522958.db2.gz DPRHYBPLGZUKAO-AEFFLSMTSA-N 2 0 366.440 3.054 20 0 FGADRP C[NH+]1CCC(N2CC[C@H]([NH2+][C@@H]3CCCOc4c(Cl)cccc43)C2)CC1 ZINC000675876206 721777257 /nfs/dbraw/zinc/77/72/57/721777257.db2.gz WGGKAMHTBRYIGX-HNAYVOBHSA-N 2 0 363.933 3.312 20 0 FGADRP C[N@H+](Cc1ccc(Br)cc1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000677801358 721916523 /nfs/dbraw/zinc/91/65/23/721916523.db2.gz KJGMHUKFSSUJEB-SFHVURJKSA-N 2 0 366.347 3.049 20 0 FGADRP Cc1ccc(C[N@@H+]2CCOC3(CCN(c4cc(N)c(C)c[nH+]4)CC3)C2)cc1 ZINC001164938658 721930477 /nfs/dbraw/zinc/93/04/77/721930477.db2.gz CXDUFYMGOZDULR-UHFFFAOYSA-N 2 0 366.509 3.152 20 0 FGADRP C[C@@H]([NH2+]C[C@H](CO)Cc1ccccc1C(F)(F)F)C1CC[NH+](C)CC1 ZINC000678600001 721966770 /nfs/dbraw/zinc/96/67/70/721966770.db2.gz HPWJFWBVAXDTLS-HUUCEWRRSA-N 2 0 358.448 3.176 20 0 FGADRP C[C@H]([NH2+]C[C@@H](CO)Cc1ccc(C(F)(F)F)cc1)C1CC[NH+](C)CC1 ZINC000678601074 721967010 /nfs/dbraw/zinc/96/70/10/721967010.db2.gz YLXUHHXDTAITKX-HOCLYGCPSA-N 2 0 358.448 3.176 20 0 FGADRP FC(F)(F)c1cccc(N2CC[NH+](CCCC[NH2+]C3CSC3)CC2)c1 ZINC000679625308 722037000 /nfs/dbraw/zinc/03/70/00/722037000.db2.gz RDNAZOYTDROLLD-UHFFFAOYSA-N 2 0 373.488 3.313 20 0 FGADRP Fc1ccc(/C=C\C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)c(F)c1 ZINC000680473126 722122156 /nfs/dbraw/zinc/12/21/56/722122156.db2.gz LVXVLGKBDMKWRF-UPHRSURJSA-N 2 0 350.453 3.412 20 0 FGADRP CC[NH+](CC)CCCNC(=O)C1CC[NH+](Cc2ccc(C)s2)CC1 ZINC000685453129 722385549 /nfs/dbraw/zinc/38/55/49/722385549.db2.gz AVDNEMMFEKGUGD-UHFFFAOYSA-N 2 0 351.560 3.117 20 0 FGADRP C[NH+](C)C1CCC([NH2+][C@H]2C[C@H]3C[C@@H](C2)N(C(=O)OC(C)(C)C)C3)CC1 ZINC000715552935 722415966 /nfs/dbraw/zinc/41/59/66/722415966.db2.gz PPZUOYYAOCFVAR-BSQPYMJMSA-N 2 0 351.535 3.237 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=S)N[C@@H](C)c1cccs1 ZINC000726489991 722435555 /nfs/dbraw/zinc/43/55/55/722435555.db2.gz GTNFNKYGKMAGJJ-HOTGVXAUSA-N 2 0 368.616 3.032 20 0 FGADRP O=C(CCCC[NH+]1CCCC1)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000732660911 722486975 /nfs/dbraw/zinc/48/69/75/722486975.db2.gz AGGROMWJAGFFSZ-UHFFFAOYSA-N 2 0 367.603 3.120 20 0 FGADRP CC[N@@H+]1CC[C@H]([NH+](C)CC2CCN(C(=O)OC(C)(C)C)CC2)C[C@@H]1C ZINC000740886328 722539030 /nfs/dbraw/zinc/53/90/30/722539030.db2.gz MDNPHMQJCYKEEU-WMZOPIPTSA-N 2 0 353.551 3.438 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)/C=C\c1ccc(Cl)cc1 ZINC000750734481 722779445 /nfs/dbraw/zinc/77/94/45/722779445.db2.gz GQBWAQUJZBUKQB-UZRURVBFSA-N 2 0 363.933 3.228 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=S)Nc1cc(C)ccc1F ZINC000751012753 722790926 /nfs/dbraw/zinc/79/09/26/722790926.db2.gz YNYRBIRSYOLEBJ-INIZCTEOSA-N 2 0 366.550 3.179 20 0 FGADRP C[NH+](C)CC(C)(C)CNC(=S)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000752771984 722870941 /nfs/dbraw/zinc/87/09/41/722870941.db2.gz HKKABEOHEQBPPT-UHFFFAOYSA-N 2 0 368.635 3.037 20 0 FGADRP C[C@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)c1cc(Cl)c(N)c(Cl)c1 ZINC000760157447 723040348 /nfs/dbraw/zinc/04/03/48/723040348.db2.gz DLVCDWXRULPYDY-LBPRGKRZSA-N 2 0 359.345 3.252 20 0 FGADRP CCCC[N@@H+]1Cc2cccc(NC(=S)NCC3CC[NH+](C)CC3)c2C1 ZINC000760481826 723058739 /nfs/dbraw/zinc/05/87/39/723058739.db2.gz FORGBAGNAWPTNI-UHFFFAOYSA-N 2 0 360.571 3.431 20 0 FGADRP C[N@@H+]1CC[C@@]2(CCN(Cn3c4ccccc4nc3SC(F)F)C2)C1 ZINC000793770151 723466251 /nfs/dbraw/zinc/46/62/51/723466251.db2.gz XKCUSGIBTRWALT-QGZVFWFLSA-N 2 0 352.454 3.336 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@H](O)c2cccc(Cl)c2)[C@H](C)C1 ZINC000765259992 723499260 /nfs/dbraw/zinc/49/92/60/723499260.db2.gz QDAGHBSLWZCJCA-AYOQOUSVSA-N 2 0 354.922 3.100 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@](C)(O)c2ccccc2Cl)[C@H](C)C1 ZINC000765806411 723542022 /nfs/dbraw/zinc/54/20/22/723542022.db2.gz CCFKJKYEGPYQBS-UXPWSPDFSA-N 2 0 368.949 3.274 20 0 FGADRP CC(C)COC(=O)N1CCC([NH2+]CCC[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000796692981 723650445 /nfs/dbraw/zinc/65/04/45/723650445.db2.gz CHDMXJUTXKURII-ROUUACIJSA-N 2 0 353.551 3.201 20 0 FGADRP CC(C)N(CCC[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21)C(=O)OC(C)(C)C ZINC000796766822 723654106 /nfs/dbraw/zinc/65/41/06/723654106.db2.gz YDOCGLQYFKOSSX-KZNAEPCWSA-N 2 0 353.551 3.484 20 0 FGADRP C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1[NH2+]CCC[NH+]1CCCCC1 ZINC000788503591 725068579 /nfs/dbraw/zinc/06/85/79/725068579.db2.gz DOULCDSKSQZEFY-MSOLQXFVSA-N 2 0 353.551 3.488 20 0 FGADRP Cc1cc(Br)cc(C[N@@H+](C)CCN(C)C2CC[NH+](C)CC2)c1 ZINC000809734223 725263489 /nfs/dbraw/zinc/26/34/89/725263489.db2.gz BIEVLWPVXYBZPJ-UHFFFAOYSA-N 2 0 368.363 3.215 20 0 FGADRP CC(C)[NH2+]C1CC[NH+](C[C@H]2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)CC1 ZINC000813335083 726862486 /nfs/dbraw/zinc/86/24/86/726862486.db2.gz KBDZBRZZDVQKCI-IRXDYDNUSA-N 2 0 353.551 3.484 20 0 FGADRP C[C@@H]1C[C@@H](C)N(CC(=O)Nc2ccc(SC(F)F)cc2)C[C@H]1C[NH3+] ZINC000817880204 727286784 /nfs/dbraw/zinc/28/67/84/727286784.db2.gz MCOBPYMQROZJEL-JHJVBQTASA-N 2 0 357.470 3.245 20 0 FGADRP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@H](O)c2ccc(OC(F)(F)F)cc2)c2ccccc21 ZINC000817901099 727287512 /nfs/dbraw/zinc/28/75/12/727287512.db2.gz SHHZVPYJJDQVDK-ZACQAIPSSA-N 2 0 352.356 3.353 20 0 FGADRP C[C@H]([NH2+]Cc1ccc(CC[NH3+])cc1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000817949548 727289176 /nfs/dbraw/zinc/28/91/76/727289176.db2.gz RDJJJJYCELIKEQ-ZDUSSCGKSA-N 2 0 368.449 3.035 20 0 FGADRP C[NH+](C)CCOc1ccc(CC[NH2+]C[C@H](O)c2ccc(Cl)cc2)cc1 ZINC000819018525 727338595 /nfs/dbraw/zinc/33/85/95/727338595.db2.gz UDKPLGWMQUHXMI-FQEVSTJZSA-N 2 0 362.901 3.146 20 0 FGADRP C[C@H](CC[NH2+]C[C@@H](O)c1ccc(OC(F)(F)F)cc1)[NH+]1CCCCC1 ZINC000819231496 727360249 /nfs/dbraw/zinc/36/02/49/727360249.db2.gz XIZCQFKAJWECME-RHSMWYFYSA-N 2 0 360.420 3.473 20 0 FGADRP CSC1(C[NH2+]C[C@@H](O)c2cccc(C(F)(F)F)c2)CC[NH+](C)CC1 ZINC000819320882 727366866 /nfs/dbraw/zinc/36/68/66/727366866.db2.gz GLMREYQQEULFBC-OAHLLOKOSA-N 2 0 362.461 3.156 20 0 FGADRP [NH3+]Cc1cccc(C(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)c1 ZINC000826075831 729404485 /nfs/dbraw/zinc/40/44/85/729404485.db2.gz CYCSSSSVAPRFFQ-UHFFFAOYSA-N 2 0 357.885 3.193 20 0 FGADRP Cc1cc([C@H]([NH3+])CC(=O)NCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)cc(Cl)n1 ZINC000827574113 729431976 /nfs/dbraw/zinc/43/19/76/729431976.db2.gz YAZLRDCONWFZEG-CZUORRHYSA-N 2 0 366.937 3.060 20 0 FGADRP C[C@H]([NH2+]Cc1cc(Cl)cc(C[NH2+][C@@H](C)c2cn[nH]c2)c1)c1cn[nH]c1 ZINC000828858388 729448848 /nfs/dbraw/zinc/44/88/48/729448848.db2.gz XVTJJJMBEMUPLK-STQMWFEESA-N 2 0 358.877 3.488 20 0 FGADRP C[N@@H+]1CC[C@@]2(CC[NH+](CCCCCCCNC(=O)OC(C)(C)C)C2)C1 ZINC000830008494 729529636 /nfs/dbraw/zinc/52/96/36/729529636.db2.gz CTOYHTXGGSHHGZ-HXUWFJFHSA-N 2 0 353.551 3.489 20 0 FGADRP C[N@@H+]1CC[C@@H](CNC(=O)CCCCC[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000831481858 729645375 /nfs/dbraw/zinc/64/53/75/729645375.db2.gz WBMPCLJDMHPQCM-KSSFIOAISA-N 2 0 355.885 3.107 20 0 FGADRP C[C@H]([NH2+]C1CC([NH+]2CCCCC2)C1)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000834789617 729834523 /nfs/dbraw/zinc/83/45/23/729834523.db2.gz GGNJJKSCMWJWHE-BFWZDYSYSA-N 2 0 351.535 3.381 20 0 FGADRP CCCCn1nc(C)c(C[NH+]2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)c1Cl ZINC000841100368 730211265 /nfs/dbraw/zinc/21/12/65/730211265.db2.gz WNIOJXLEXRNJCY-QZTJIDSGSA-N 2 0 368.953 3.363 20 0 FGADRP CCCCn1nc(C)c(C[NH+]2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)c1Cl ZINC000841103682 730211809 /nfs/dbraw/zinc/21/18/09/730211809.db2.gz IEXLXAKZUJMDJM-FUHWJXTLSA-N 2 0 368.953 3.363 20 0 FGADRP Cc1cc([C@@H]([NH3+])CC(=O)Nc2ccc(C[NH+](C)C)c(F)c2)cc(Cl)n1 ZINC000844188976 730691185 /nfs/dbraw/zinc/69/11/85/730691185.db2.gz FNAFZFRQDLULLY-INIZCTEOSA-N 2 0 364.852 3.273 20 0 FGADRP C[C@@H]1CCC[N@H+](CC[C@H]2CCC[NH+]2C)[C@@H]1CCNC(=O)OC(C)(C)C ZINC000844401672 730712975 /nfs/dbraw/zinc/71/29/75/730712975.db2.gz NZAOIMCWPMQZTE-KZNAEPCWSA-N 2 0 353.551 3.486 20 0 FGADRP C[C@H]1C[C@H](C)C[NH+](CCCC[NH2+]Cc2c3c(nn2C)CCSC3)C1 ZINC000882892793 737502112 /nfs/dbraw/zinc/50/21/12/737502112.db2.gz GAQAMAMIFQTPPZ-HOTGVXAUSA-N 2 0 350.576 3.057 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1CCNC(=[NH2+])NCc1ccc(OC(F)(F)F)cc1 ZINC000849091096 731228101 /nfs/dbraw/zinc/22/81/01/731228101.db2.gz IZTAFVUQFFPQOH-CYBMUJFWSA-N 2 0 358.408 3.074 20 0 FGADRP C[N@@H+]1CCC[C@@H](CNC(=[NH2+])N2CCC2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000849111725 731230352 /nfs/dbraw/zinc/23/03/52/731230352.db2.gz BZIXVLFPMLFUDK-GOEBONIOSA-N 2 0 354.420 3.318 20 0 FGADRP C[C@@H]([NH2+]C[C@]12OCCC[C@H]1C2(F)F)c1ccc(OCC[NH+](C)C)cc1 ZINC000850535516 731370615 /nfs/dbraw/zinc/37/06/15/731370615.db2.gz YYEYDBPQQOAQID-OLMNPRSZSA-N 2 0 354.441 3.092 20 0 FGADRP C[NH+]1CCC2(CCC[N@H+](CC[C@H]3Sc4ccccc4NC3=O)C2)CC1 ZINC000852009109 731532025 /nfs/dbraw/zinc/53/20/25/731532025.db2.gz YRANGKITZPBJML-GOSISDBHSA-N 2 0 359.539 3.297 20 0 FGADRP CC(C)(C)OC(=O)N1CCC([NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)CC1 ZINC000853084189 731662264 /nfs/dbraw/zinc/66/22/64/731662264.db2.gz AXXUQMXKUFEAEY-KRWDZBQOSA-N 2 0 351.535 3.098 20 0 FGADRP O[C@H](C[NH2+]CC1CC[NH+](CC2CC2)CC1)c1ccccc1Br ZINC000853131220 731669103 /nfs/dbraw/zinc/66/91/03/731669103.db2.gz CIPRJDUYLVHZTK-GOSISDBHSA-N 2 0 367.331 3.194 20 0 FGADRP CC[N@H+](C)Cc1cc(O[C@@H]2CCN(Cc3cncc(Cl)c3)C2)ccn1 ZINC000856765528 732056299 /nfs/dbraw/zinc/05/62/99/732056299.db2.gz HMCKGOGNKSKINE-LJQANCHMSA-N 2 0 360.889 3.235 20 0 FGADRP COC[C@@H]1CCC[NH+](CC[Si](C)(C)CC[N@H+]2CCC[C@H](COC)C2)C1 ZINC000859140837 732282568 /nfs/dbraw/zinc/28/25/68/732282568.db2.gz XDCIHYIUIJFWQQ-BGYRXZFFSA-N 2 0 370.654 3.412 20 0 FGADRP CC(C)(C)OC(=O)N[C@H](C[NH2+]C1CC[NH+](C(C)(C)C)CC1)CC(F)F ZINC000865419704 733195996 /nfs/dbraw/zinc/19/59/96/733195996.db2.gz YBICJYNVTBWHKI-AWEZNQCLSA-N 2 0 363.493 3.387 20 0 FGADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H](C)c2cc3c(ccnc3Cl)o2)CC1 ZINC000866233145 733327585 /nfs/dbraw/zinc/32/75/85/733327585.db2.gz RPVZAUQVHQYDLO-ZIAGYGMSSA-N 2 0 350.894 3.158 20 0 FGADRP C[NH+](C)CCN(Cc1cccs1)C(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC000868183726 733568916 /nfs/dbraw/zinc/56/89/16/733568916.db2.gz RSYZSLLFVSTSHZ-ZWKOTPCHSA-N 2 0 358.511 3.158 20 0 FGADRP CC[C@@H](C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)C1CCC(C)CC1 ZINC000870019981 733802027 /nfs/dbraw/zinc/80/20/27/733802027.db2.gz XXBYHJVKVMDTOU-WFAGLZIHSA-N 2 0 351.579 3.037 20 0 FGADRP C[NH+]1CCC(C[NH2+][C@@H](c2cccc(Br)c2)[C@H]2CCOC2)CC1 ZINC000872034762 735579567 /nfs/dbraw/zinc/57/95/67/735579567.db2.gz RBPDWXXJHDHUIC-WMZOPIPTSA-N 2 0 367.331 3.458 20 0 FGADRP C[NH+]1CCC(C[NH2+][C@H]2CCO[C@H](C(C)(C)C)C2)(N2CCCCC2)CC1 ZINC000872037922 735579939 /nfs/dbraw/zinc/57/99/39/735579939.db2.gz HBNPZXSPPDLKGO-OALUTQOASA-N 2 0 351.579 3.120 20 0 FGADRP C[N@H+]1CC=C(C[NH2+][C@@H](c2cccc(Br)c2)[C@H]2CCOC2)CC1 ZINC000872053795 735582169 /nfs/dbraw/zinc/58/21/69/735582169.db2.gz NDPUMUCOUXOKMM-WMZOPIPTSA-N 2 0 365.315 3.378 20 0 FGADRP CC[N@H+](Cc1cc2c(s1)CC[NH2+]C2)Cc1ccc(C(=O)N(C)C)cc1 ZINC000873208855 735738629 /nfs/dbraw/zinc/73/86/29/735738629.db2.gz WBLIAEDUNCLQOI-UHFFFAOYSA-N 2 0 357.523 3.118 20 0 FGADRP CC[C@@H]([NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2)c1ccc(OC(F)F)cc1 ZINC000873290198 735747117 /nfs/dbraw/zinc/74/71/17/735747117.db2.gz OVHYBUZZPYRBJX-DLBZAZTESA-N 2 0 354.441 3.487 20 0 FGADRP Clc1cccc2c1OCCC[C@H]2[NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873291903 735747214 /nfs/dbraw/zinc/74/72/14/735747214.db2.gz NPHJYFCURSOZLE-WMLDXEAASA-N 2 0 350.890 3.302 20 0 FGADRP CC[NH2+]Cc1cccc(NC(=O)[C@@H]([NH3+])c2cccc(C(F)(F)F)c2)c1 ZINC000876510038 736108661 /nfs/dbraw/zinc/10/86/61/736108661.db2.gz PPRQWXSFISIVKC-INIZCTEOSA-N 2 0 351.372 3.453 20 0 FGADRP C[S@](=O)CCC[NH2+]C[C@@]1(C(C)(C)C)CC[N@H+](Cc2ccccc2)C1 ZINC000877051995 736181381 /nfs/dbraw/zinc/18/13/81/736181381.db2.gz QCRVPECTDCKQMU-RDPSFJRHSA-N 2 0 350.572 3.283 20 0 FGADRP CCO[P@@](C)(=O)CC[C@H](C)[NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000877065303 736183109 /nfs/dbraw/zinc/18/31/09/736183109.db2.gz YPADNWSIIVNZBJ-AVRWGWEMSA-N 2 0 373.522 3.249 20 0 FGADRP CCO[P@](C)(=O)CC[C@H](C)[NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000877090897 736186720 /nfs/dbraw/zinc/18/67/20/736186720.db2.gz XVQAOBWXSJZPBS-ZQZZHPMISA-N 2 0 360.479 3.067 20 0 FGADRP C([C@H]1CCC2(CCOCC2)O1)[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000878050132 736764007 /nfs/dbraw/zinc/76/40/07/736764007.db2.gz QWGPZKVOKLEQGV-WOJBJXKFSA-N 2 0 350.547 3.303 20 0 FGADRP C[C@@H](CSCCF)[NH2+]CCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000883344011 737555810 /nfs/dbraw/zinc/55/58/10/737555810.db2.gz ISIKVPFVUJEYRG-KRWDZBQOSA-N 2 0 354.535 3.084 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=S)NC[C@H]1CCC[N@@H+]1CC)c1ccccc1 ZINC000884346844 737657475 /nfs/dbraw/zinc/65/74/75/737657475.db2.gz CFLVOKZWVGGLKJ-RTBURBONSA-N 2 0 362.587 3.018 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N1CCC([NH3+])(CC)CC1)c1ccsc1 ZINC000891349957 739894927 /nfs/dbraw/zinc/89/49/27/739894927.db2.gz YMMJDWXDQSYVOZ-MRXNPFEDSA-N 2 0 352.548 3.044 20 0 FGADRP CC[NH+](CC)Cc1ccccc1C[NH2+][C@@H]1CCC2(C[C@H]1F)OCCO2 ZINC000892465743 740003752 /nfs/dbraw/zinc/00/37/52/740003752.db2.gz GJYCVJFVUDJWTN-RTBURBONSA-N 2 0 350.478 3.252 20 0 FGADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C[C@@H]1C(F)(F)F ZINC000892606866 740022297 /nfs/dbraw/zinc/02/22/97/740022297.db2.gz FTWJKJWMZKLGKC-GCSSGZNBSA-N 2 0 362.436 3.113 20 0 FGADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@@H](C)C[NH+]2CCCC2)C[C@H]1C(F)(F)F ZINC000892622445 740024215 /nfs/dbraw/zinc/02/42/15/740024215.db2.gz PZZRVGGRVDMLST-QKPAOTATSA-N 2 0 364.452 3.218 20 0 FGADRP CCC[NH+]1CCC([NH2+][C@@H]2CC[C@H](C(=O)OCC)[C@H](C(F)(F)F)C2)CC1 ZINC000893324049 742140780 /nfs/dbraw/zinc/14/07/80/742140780.db2.gz NLMJPIIMRWJMBH-OWCLPIDISA-N 2 0 364.452 3.361 20 0 FGADRP CC1(C)C[NH2+]CC[C@H]([NH2+]C2CCN(Cc3ccc(F)c(F)c3)CC2)C1 ZINC000902316447 743730859 /nfs/dbraw/zinc/73/08/59/743730859.db2.gz RUWYGTMFNZSAQQ-KRWDZBQOSA-N 2 0 351.485 3.297 20 0 FGADRP [NH3+]CC1(c2ccccc2)CC[NH+](C[C@H]2CCC[C@H](C(F)(F)F)O2)CC1 ZINC000903790890 743884399 /nfs/dbraw/zinc/88/43/99/743884399.db2.gz FWSGDKVARYJYSX-IAGOWNOFSA-N 2 0 356.432 3.479 20 0 FGADRP COc1cc(C[N@H+](C)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)c(SC)cc1OC ZINC000903895013 743893837 /nfs/dbraw/zinc/89/38/37/743893837.db2.gz JOVSKPRREAPSFX-VHRNVKJDSA-N 2 0 350.528 3.388 20 0 FGADRP Clc1ccc(C2CC[NH+](Cc3cnnn3[C@H]3CCC[NH2+]C3)CC2)cc1 ZINC000903904222 743894578 /nfs/dbraw/zinc/89/45/78/743894578.db2.gz RYCZMGFTTWJVLH-SFHVURJKSA-N 2 0 359.905 3.236 20 0 FGADRP CCOc1cc(C[NH+]2CCC3(CO[C@@H](C[NH3+])C3)CC2)cc(Cl)c1OC ZINC000904388927 743950974 /nfs/dbraw/zinc/95/09/74/743950974.db2.gz DQYBPDRDCRLWGW-OAHLLOKOSA-N 2 0 368.905 3.077 20 0 FGADRP CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1sccc1Br)C2 ZINC000922386203 758909179 /nfs/dbraw/zinc/90/91/79/758909179.db2.gz DHAHSJZKSZQMLX-VDERGJSUSA-N 2 0 373.360 3.080 20 0 FGADRP CC(C)[C@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1ccc(Br)s1)C2 ZINC000922386805 758909410 /nfs/dbraw/zinc/90/94/10/758909410.db2.gz IRWZCYPOXMOFAU-RRCSTGOVSA-N 2 0 373.360 3.080 20 0 FGADRP CC(C)[C@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1csc(C(F)(F)F)c1)C2 ZINC000922387784 758910319 /nfs/dbraw/zinc/91/03/19/758910319.db2.gz AZHWGYVNEZNSNR-XOUADPBQSA-N 2 0 362.461 3.336 20 0 FGADRP CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]C/C=C\c1ccc(F)c(F)c1)C2 ZINC000922387733 758910495 /nfs/dbraw/zinc/91/04/95/758910495.db2.gz AKEFHBFQDJDJNI-ZESFDBNRSA-N 2 0 350.453 3.047 20 0 FGADRP CC(C)[C@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1cscc1Br)C2 ZINC000922390128 758910558 /nfs/dbraw/zinc/91/05/58/758910558.db2.gz KUPAXNISTHIDOP-FPCVCCKLSA-N 2 0 373.360 3.080 20 0 FGADRP CC(C)[C@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1cc(Cl)cc(Cl)c1N)C2 ZINC000922391535 758911804 /nfs/dbraw/zinc/91/18/04/758911804.db2.gz WIYVYWQAORYLRH-JOCBIADPSA-N 2 0 372.340 3.145 20 0 FGADRP CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3cc(F)c(F)cc3F)C2)[C@@H]1C(C)C ZINC000922393592 758912529 /nfs/dbraw/zinc/91/25/29/758912529.db2.gz MCDQQGLWNYCZES-YRXWBPOGSA-N 2 0 356.432 3.063 20 0 FGADRP CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3ccc(SC)s3)C2)[C@H]1C(C)C ZINC000922396085 758914733 /nfs/dbraw/zinc/91/47/33/758914733.db2.gz ZZBKMZARVNLMRB-AHCXZYCDSA-N 2 0 354.585 3.429 20 0 FGADRP CC1([NH+]2CCC2)CCC([NH2+]Cc2ncc(Br)cc2F)CC1 ZINC000922846832 759014561 /nfs/dbraw/zinc/01/45/61/759014561.db2.gz QARZDSKUHMMNFH-UHFFFAOYSA-N 2 0 356.283 3.480 20 0 FGADRP O[C@H](COc1c(Cl)cccc1Cl)CN1CCC([NH2+]CC2CC2)CC1 ZINC000923291117 759096003 /nfs/dbraw/zinc/09/60/03/759096003.db2.gz AHHPYBWILNQZDF-HNNXBMFYSA-N 2 0 373.324 3.197 20 0 FGADRP Brc1ccc([C@H]2CCC[N@@H+]2C[C@@H]2CC3(C[NH2+]C3)CO2)s1 ZINC000923375745 759108067 /nfs/dbraw/zinc/10/80/67/759108067.db2.gz DAFABLAMHHRLLV-NWDGAFQWSA-N 2 0 357.317 3.026 20 0 FGADRP CC(C)(C)OC(=O)NC[C@H]1CC[C@@H]([NH2+]C2CC[NH+](C3CCC3)CC2)C1 ZINC000924841740 759402354 /nfs/dbraw/zinc/40/23/54/759402354.db2.gz DEBCOYOGBVLKGT-DOTOQJQBSA-N 2 0 351.535 3.286 20 0 FGADRP C[NH+]1CCC(O)(C[NH2+][C@@H](Cc2ccc(F)cc2Cl)c2ccco2)CC1 ZINC000925118476 759450522 /nfs/dbraw/zinc/45/05/22/759450522.db2.gz SFBJCARPRMQRNK-KRWDZBQOSA-N 2 0 366.864 3.402 20 0 FGADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H]1CCCc2ncc(Br)cc21 ZINC000925241795 759467100 /nfs/dbraw/zinc/46/71/00/759467100.db2.gz SLSKZSFSWAISPN-PBHICJAKSA-N 2 0 370.335 3.168 20 0 FGADRP CN1CC[C@H](C[NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000925629018 759515022 /nfs/dbraw/zinc/51/50/22/759515022.db2.gz JQWDQDZVIZCURR-RNJTYBCJSA-N 2 0 351.897 3.331 20 0 FGADRP CCN1CC[C@H]([NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000925635964 759516357 /nfs/dbraw/zinc/51/63/57/759516357.db2.gz WETOQRYUAAQILF-CUSZFKRNSA-N 2 0 353.432 3.099 20 0 FGADRP CCS(=O)(=O)c1cc(Cl)cc(C[NH2+][C@H]2C[C@@H]([NH3+])CC(C)(C)C2)c1 ZINC000925684868 759523426 /nfs/dbraw/zinc/52/34/26/759523426.db2.gz DLZCLMJHJBEKIX-CABCVRRESA-N 2 0 358.935 3.129 20 0 FGADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]Cc1ccc2ccc(Br)cc2c1 ZINC000925732474 759527256 /nfs/dbraw/zinc/52/72/56/759527256.db2.gz BRPBPWKAVVYAII-RZAIGCCYSA-N 2 0 363.299 3.444 20 0 FGADRP C[C@H]([NH2+]CCCCCC1CC[NH2+]CC1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000925809411 759548058 /nfs/dbraw/zinc/54/80/58/759548058.db2.gz UYSFYMHERDVUBU-HNNXBMFYSA-N 2 0 370.534 3.440 20 0 FGADRP [NH3+]C1CCN(CC[NH2+][C@H]2CCCc3cc(SC(F)F)ccc32)CC1 ZINC000925814890 759549686 /nfs/dbraw/zinc/54/96/86/759549686.db2.gz MSDDUYRTEUXEGB-KRWDZBQOSA-N 2 0 355.498 3.391 20 0 FGADRP Brc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CC[C@H]3C[NH2+]C[C@H]3C1)CCO2 ZINC000925824989 759552906 /nfs/dbraw/zinc/55/29/06/759552906.db2.gz FOGYCMIHLNTJLI-DMEJVMROSA-N 2 0 351.288 3.250 20 0 FGADRP O=C1O[C@H](C[NH2+][C@H]2CC[C@H](c3cccc(Cl)c3)C2)CC12CC[NH2+]CC2 ZINC000925852075 759558419 /nfs/dbraw/zinc/55/84/19/759558419.db2.gz ZTTLVPYHOAOANT-SZMVWBNQSA-N 2 0 362.901 3.251 20 0 FGADRP CC(C)[C@H]([NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ccc(Cl)cc1F ZINC000925856369 759560177 /nfs/dbraw/zinc/56/01/77/759560177.db2.gz NNROULCSXNGHAO-PBHICJAKSA-N 2 0 368.880 3.451 20 0 FGADRP C[C@@H]([NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ccc(Cl)c(Cl)c1 ZINC000925855490 759560886 /nfs/dbraw/zinc/56/08/86/759560886.db2.gz OGMRBZCKNPZCBT-DGCLKSJQSA-N 2 0 357.281 3.329 20 0 FGADRP C[C@H]([NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1cccc(C(F)(F)F)c1 ZINC000925857136 759561635 /nfs/dbraw/zinc/56/16/35/759561635.db2.gz ROPGGSNTMNOBJB-SWLSCSKDSA-N 2 0 356.388 3.041 20 0 FGADRP C[C@H]([NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ccccc1C(F)(F)F ZINC000925858195 759561760 /nfs/dbraw/zinc/56/17/60/759561760.db2.gz UGSHVUZBRTYEIK-QWHCGFSZSA-N 2 0 356.388 3.041 20 0 FGADRP Cc1cccc(Cl)c1NC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000926092571 759641503 /nfs/dbraw/zinc/64/15/03/759641503.db2.gz ACDWWBKZOABOIH-IYBDPMFKSA-N 2 0 362.905 3.081 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCC[C@@H](C(F)(F)F)O2)[C@@H](C)C1 ZINC000926915711 759847792 /nfs/dbraw/zinc/84/77/92/759847792.db2.gz LTYCOPNZYQVUBL-QAETUUGQSA-N 2 0 366.468 3.213 20 0 FGADRP C[C@H](CNC(=O)C[NH2+][C@H](C)c1ccsc1)[NH2+][C@H](C)c1ccsc1 ZINC000930344947 760584838 /nfs/dbraw/zinc/58/48/38/760584838.db2.gz FYJXNWFOMPZYRI-MGPQQGTHSA-N 2 0 351.541 3.316 20 0 FGADRP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]([NH2+]Cc3ccc(C)cc3Cl)C2)CC[N@@H+]1C ZINC001018872699 765847455 /nfs/dbraw/zinc/84/74/55/765847455.db2.gz GIQWFLVVFXNFTK-JENIJYKNSA-N 2 0 363.933 3.069 20 0 FGADRP C[C@@H]1[C@H](C(=O)N2CCC[C@H](C[NH2+]Cc3ccc(Cl)cc3)C2)CC[N@@H+]1C ZINC001023994131 766047377 /nfs/dbraw/zinc/04/73/77/766047377.db2.gz ZIPNOJZRVADESV-SZVBFZGTSA-N 2 0 363.933 3.008 20 0 FGADRP Cc1cc(C[NH2+]C2CCC(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)c(C)s1 ZINC001026496579 766074813 /nfs/dbraw/zinc/07/48/13/766074813.db2.gz KZSCAWVJQMBILE-YOODTLSXSA-N 2 0 363.571 3.222 20 0 FGADRP Cc1cc(Cl)ccc1C[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001027892427 766104316 /nfs/dbraw/zinc/10/43/16/766104316.db2.gz VUGTZVAYDAIHPN-AYOQOUSVSA-N 2 0 363.933 3.069 20 0 FGADRP CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@@H]1CC[N@H+](Cc2cc(C)sc2C)C1 ZINC001033836835 766223691 /nfs/dbraw/zinc/22/36/91/766223691.db2.gz FFCOIUXMRPJGST-ATZDWAIDSA-N 2 0 363.571 3.128 20 0 FGADRP C[C@@H]1[C@H](C(=O)N[C@H]2CCCC[NH+](Cc3cccc(Cl)c3)C2)CC[N@@H+]1C ZINC001034215215 766232712 /nfs/dbraw/zinc/23/27/12/766232712.db2.gz XIPDBPVUIOPPCM-AYOQOUSVSA-N 2 0 363.933 3.151 20 0 FGADRP C[C@@H]1[C@H](C(=O)N[C@H]2CCC[NH+](Cc3ccc(Cl)s3)CC2)CC[N@@H+]1C ZINC001052394003 766899122 /nfs/dbraw/zinc/89/91/22/766899122.db2.gz SYPRAAXEPYEPCV-IJEWVQPXSA-N 2 0 369.962 3.212 20 0 FGADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+][C@@H]3CCO[C@@H](c4cncn4C)C3)CC2)C1 ZINC000328630305 223121400 /nfs/dbraw/zinc/12/14/00/223121400.db2.gz JFDOLJWSLMVYCJ-RDPOXOKHSA-N 2 0 360.546 3.273 20 0 FGADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@H]1CCc2cc(Br)ccc21 ZINC000274617260 257374379 /nfs/dbraw/zinc/37/43/79/257374379.db2.gz LNKGDTAMPJCTGS-KDOFPFPSSA-N 2 0 366.347 3.052 20 0 FGADRP Cc1cc(NC(=O)NCC2=CC[N@H+](C)CC2)cnc1N1CCCC[C@H]1C ZINC000540949432 503950507 /nfs/dbraw/zinc/95/05/07/503950507.db2.gz DNGKANPZQGQXGB-MRXNPFEDSA-N 2 0 357.502 3.152 20 0 FGADRP C[N@@H+]1CCCC12CCN([C@H](C(=O)N1CCCCC1)c1ccccc1)CC2 ZINC000540299328 503731590 /nfs/dbraw/zinc/73/15/90/503731590.db2.gz ZMBCCTXKPKWMDJ-FQEVSTJZSA-N 2 0 355.526 3.300 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)CC[NH+]1CCCC[C@@H]1C ZINC000567940457 505580088 /nfs/dbraw/zinc/58/00/88/505580088.db2.gz YHKYQCHLCCTIDX-SVFBPWRDSA-N 2 0 357.542 3.278 20 0 FGADRP C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)c1ccc2c[nH+]cn2c1 ZINC000573627219 505582260 /nfs/dbraw/zinc/58/22/60/505582260.db2.gz BNCCVJAHAZBWGE-UHFFFAOYSA-N 2 0 356.857 3.192 20 0 FGADRP COc1cccc([C@H](C)[NH+]2CCN(C[C@H](C[NH3+])c3ccc(F)cc3)CC2)c1 ZINC000579598248 505583515 /nfs/dbraw/zinc/58/35/15/505583515.db2.gz WNMJQLRSXVXASK-PXNSSMCTSA-N 2 0 371.500 3.255 20 0 FGADRP CCc1ccc([C@@H](CNC(=O)c2ccc(CC[NH+](C)C)cc2)[NH+](C)C)cc1 ZINC000579608383 505586657 /nfs/dbraw/zinc/58/66/57/505586657.db2.gz SCHFRTWMQSMZPI-JOCHJYFZSA-N 2 0 367.537 3.386 20 0 FGADRP Fc1ccc(-c2nc(CN3CC[NH+](CC[C@@H]4CC[NH2+]C4)CC3)cs2)cc1 ZINC000567990325 505591043 /nfs/dbraw/zinc/59/10/43/505591043.db2.gz SWHNHOFMEPBIPQ-INIZCTEOSA-N 2 0 374.529 3.066 20 0 FGADRP O=C(CC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)Nc1ccccn1 ZINC000573788471 505621265 /nfs/dbraw/zinc/62/12/65/505621265.db2.gz XAWJLMKKLGAGHI-ACDBMABISA-N 2 0 364.493 3.195 20 0 FGADRP [NH3+][C@H]1CCCO[C@@H]1C1CC[NH+](CCCOc2ccc(Cl)cc2)CC1 ZINC000573788272 505621293 /nfs/dbraw/zinc/62/12/93/505621293.db2.gz ZXERRPXJJVCDRU-RBUKOAKNSA-N 2 0 352.906 3.327 20 0 FGADRP C[C@@H](C(=O)Nc1cccc(C(F)(F)F)c1)[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000579838767 505630354 /nfs/dbraw/zinc/63/03/54/505630354.db2.gz WWJDEHNLNFKNSH-ZFWWWQNUSA-N 2 0 369.431 3.354 20 0 FGADRP [NH3+][C@H]1CCCC[C@@H]1CC(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000573839713 505632958 /nfs/dbraw/zinc/63/29/58/505632958.db2.gz GLBJAZWKCIYHFN-MJGOQNOKSA-N 2 0 361.555 3.124 20 0 FGADRP COc1ccc(C[NH+]2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)c(Cl)c1OC ZINC000571027727 505636740 /nfs/dbraw/zinc/63/67/40/505636740.db2.gz HFJZILLXSMASGS-QAPCUYQASA-N 2 0 368.905 3.076 20 0 FGADRP C[C@@H]1C[C@@H](N(C)C(=O)C[NH+]2CCC(C)(C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000568200869 505642072 /nfs/dbraw/zinc/64/20/72/505642072.db2.gz BOWNDHMLRKRLOD-QUCCMNQESA-N 2 0 357.542 3.230 20 0 FGADRP CC(C)C[C@H](CNC(=O)[C@H]1CC12CC[NH2+]CC2)[NH2+][C@@H](C)c1ccccc1 ZINC000573917200 505651248 /nfs/dbraw/zinc/65/12/48/505651248.db2.gz OTOVXNKOASXYCT-DFQSSKMNSA-N 2 0 357.542 3.258 20 0 FGADRP C[C@@H]([NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(Br)cn1 ZINC000580024606 505663846 /nfs/dbraw/zinc/66/38/46/505663846.db2.gz FHOQYVBWOTVHCV-QLFBSQMISA-N 2 0 370.335 3.384 20 0 FGADRP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]Cc1cc(OC)c(O)c(OC)c1 ZINC000574001733 505670200 /nfs/dbraw/zinc/67/02/00/505670200.db2.gz KUKZVGAPKMFIDZ-SJORKVTESA-N 2 0 350.503 3.400 20 0 FGADRP C[C@@H]1C[C@@H](CC[NH2+]CCC(=O)Nc2cccnc2)C[N@@H+]1Cc1ccccc1 ZINC000571158781 505668282 /nfs/dbraw/zinc/66/82/82/505668282.db2.gz WQIIBSJJSBKQKI-UYAOXDASSA-N 2 0 366.509 3.301 20 0 FGADRP C[C@H](NC(=O)NCc1ccccc1C[NH+]1CCCCCC1)[C@H]1CCC[NH2+]C1 ZINC000577164711 505678101 /nfs/dbraw/zinc/67/81/01/505678101.db2.gz XIIYCYCKQFWKPM-OALUTQOASA-N 2 0 372.557 3.250 20 0 FGADRP CC[N@H+](C)[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000068369949 493806149 /nfs/dbraw/zinc/80/61/49/493806149.db2.gz LUXJLCZUSDEMNZ-QFIPXVFZSA-N 2 0 365.521 3.460 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)N1CCC[N@@H+](C(C)C)CC1)c1ccsc1 ZINC000076057481 493814813 /nfs/dbraw/zinc/81/48/13/493814813.db2.gz ONDGEVPCSGPAQY-SFHVURJKSA-N 2 0 366.575 3.257 20 0 FGADRP CC[NH+](CC)Cc1cccc(NC(=O)[C@@H]([NH2+]C2CCOCC2)C(C)C)c1 ZINC000076306581 493864205 /nfs/dbraw/zinc/86/42/05/493864205.db2.gz HPPCIOIAJYQRFN-FQEVSTJZSA-N 2 0 361.530 3.260 20 0 FGADRP Cc1ccc(C[NH2+]Cc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)s1 ZINC000076331069 493866794 /nfs/dbraw/zinc/86/67/94/493866794.db2.gz HNQFVFMGCHJVGJ-UHFFFAOYSA-N 2 0 357.523 3.172 20 0 FGADRP CC[NH+](CC)CCNC(=O)NCc1ccccc1C[NH+]1CCC(C)CC1 ZINC000060894183 493957991 /nfs/dbraw/zinc/95/79/91/493957991.db2.gz RFDXCUQLZWLUOG-UHFFFAOYSA-N 2 0 360.546 3.060 20 0 FGADRP CC(C)(CNC(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)[NH+]1CCCCC1 ZINC000061185718 493968235 /nfs/dbraw/zinc/96/82/35/493968235.db2.gz IUYAZSOXWRRETO-HXUWFJFHSA-N 2 0 372.557 3.215 20 0 FGADRP CC(C)(C)[N@@H+]1CCCN(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)CC1 ZINC000069620537 493989261 /nfs/dbraw/zinc/98/92/61/493989261.db2.gz GBYWURLCWFDMMO-FQEVSTJZSA-N 2 0 372.557 3.339 20 0 FGADRP CCCC[N@H+](C)CC1CC[NH+](CC(=O)N[C@H]2CCOc3ccccc32)CC1 ZINC000052442091 494026383 /nfs/dbraw/zinc/02/63/83/494026383.db2.gz BXTYOXUPCPHAEU-FQEVSTJZSA-N 2 0 373.541 3.070 20 0 FGADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc(I)cc2)C1 ZINC000037644495 494108377 /nfs/dbraw/zinc/10/83/77/494108377.db2.gz OKLKXVMMDSEPOW-QWHCGFSZSA-N 2 0 358.267 3.284 20 0 FGADRP Cc1ccccc1C[NH+]1CCC(NC(=O)NCC2([NH+](C)C)CCCC2)CC1 ZINC000043146716 494270402 /nfs/dbraw/zinc/27/04/02/494270402.db2.gz FKTAVEYHXOIHHG-UHFFFAOYSA-N 2 0 372.557 3.133 20 0 FGADRP CC(C)[C@@H](CNC(=O)C1CC[NH+](C(C)C)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000072884104 494275440 /nfs/dbraw/zinc/27/54/40/494275440.db2.gz IHQKVNWBQJCYHM-JOCHJYFZSA-N 2 0 371.569 3.306 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)NC1CC[NH+](C)CC1)c1ccccc1Cl ZINC000078511413 494311402 /nfs/dbraw/zinc/31/14/02/494311402.db2.gz GANLJOJEBCYEDQ-GOSISDBHSA-N 2 0 366.937 3.116 20 0 FGADRP Cc1ccc([C@@H](CNC(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)[NH+](C)C)cc1 ZINC000078523121 494313258 /nfs/dbraw/zinc/31/32/58/494313258.db2.gz SSCZEDVZGLAYOW-AZUAARDMSA-N 2 0 360.546 3.017 20 0 FGADRP C[NH+](C)Cc1cccc(NC(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)c1 ZINC000044292033 494347294 /nfs/dbraw/zinc/34/72/94/494347294.db2.gz UAEUCSDTTWTQCC-IBGZPJMESA-N 2 0 358.461 3.312 20 0 FGADRP [NH3+][C@@H]1CCCC[C@H]1NC(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000574191958 505715774 /nfs/dbraw/zinc/71/57/74/505715774.db2.gz OQOZXAVNBHBGRB-WOJBJXKFSA-N 2 0 358.530 3.132 20 0 FGADRP CC[NH+](CC)CCCNC(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000073437399 494371026 /nfs/dbraw/zinc/37/10/26/494371026.db2.gz CUDZEBFMOYYPBP-AEFFLSMTSA-N 2 0 366.575 3.162 20 0 FGADRP CCC[N@H+](CC)Cc1ccc(C(=O)N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)cc1 ZINC000577377645 505716784 /nfs/dbraw/zinc/71/67/84/505716784.db2.gz SNERDOSCGSSEEP-FCHUYYIVSA-N 2 0 365.521 3.404 20 0 FGADRP O=C(NCc1ccc(C[NH+]2CCCC2)cc1)N1CC[NH+](C2CCCC2)CC1 ZINC000078953798 494383018 /nfs/dbraw/zinc/38/30/18/494383018.db2.gz CQXAZNGZQPVTSJ-UHFFFAOYSA-N 2 0 370.541 3.052 20 0 FGADRP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000073628283 494404118 /nfs/dbraw/zinc/40/41/18/494404118.db2.gz MABRBKLUDOJNHX-OAQYLSRUSA-N 2 0 372.557 3.298 20 0 FGADRP CC[NH+](CC)Cc1ccccc1CNC(=O)NC1CC[NH+](CC(C)C)CC1 ZINC000045184574 494404221 /nfs/dbraw/zinc/40/42/21/494404221.db2.gz IFXPBABXQVKWBG-UHFFFAOYSA-N 2 0 374.573 3.448 20 0 FGADRP C[NH+](C)C[C@H](NC(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(F)cc1 ZINC000577387993 505718542 /nfs/dbraw/zinc/71/85/42/505718542.db2.gz ZJMSRQUSKPZUSR-FPOVZHCZSA-N 2 0 369.484 3.067 20 0 FGADRP C[C@@H](CCc1cccc(F)c1)[NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000090038680 494431651 /nfs/dbraw/zinc/43/16/51/494431651.db2.gz BFCDFMLTWYQHHJ-KRWDZBQOSA-N 2 0 371.500 3.228 20 0 FGADRP CC[NH+]1CCC(CCNC(=O)N[C@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)CC1 ZINC000073819634 494433825 /nfs/dbraw/zinc/43/38/25/494433825.db2.gz HNCILGIWFXBYBL-RXVVDRJESA-N 2 0 372.557 3.243 20 0 FGADRP COc1cc(OC)cc(OCCC[NH2+]C2CC[NH+](C3CCCC3)CC2)c1 ZINC000090231268 494457672 /nfs/dbraw/zinc/45/76/72/494457672.db2.gz LTYNEIOABBYLPT-UHFFFAOYSA-N 2 0 362.514 3.469 20 0 FGADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NCC[NH+]1CCC(C)CC1 ZINC000067062773 494466729 /nfs/dbraw/zinc/46/67/29/494466729.db2.gz BVPHSVMTZUOJCY-UHFFFAOYSA-N 2 0 360.546 3.012 20 0 FGADRP C[C@@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1ccc(-n2ccnc2)cc1 ZINC000090523959 494478493 /nfs/dbraw/zinc/47/84/93/494478493.db2.gz UABMWBCCMGLZKI-WTNAPCKOSA-N 2 0 368.525 3.291 20 0 FGADRP CC[NH+](CC)Cc1cccc(CNC(=O)N2CCC(CC[NH+](C)C)CC2)c1 ZINC000079597561 494490719 /nfs/dbraw/zinc/49/07/19/494490719.db2.gz SPDFDZIDGIHESL-UHFFFAOYSA-N 2 0 374.573 3.402 20 0 FGADRP COc1c(C)cnc(C[NH+]2CCC(C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)c1C ZINC000067227519 494497700 /nfs/dbraw/zinc/49/77/00/494497700.db2.gz FFHBZONLNVMXHU-IRXDYDNUSA-N 2 0 361.530 3.028 20 0 FGADRP C[C@H](CNC(=O)c1oc2ccccc2c1C[NH+](C)C)C[NH+]1CCCCC1 ZINC000074225711 494501278 /nfs/dbraw/zinc/50/12/78/494501278.db2.gz WBQKNIHEHWRNCX-MRXNPFEDSA-N 2 0 357.498 3.346 20 0 FGADRP CC(C)[NH+]1CCC(C(=O)Nc2ccc(OCC[N@@H+]3CC[C@H](C)C3)cc2)CC1 ZINC000074232979 494502008 /nfs/dbraw/zinc/50/20/08/494502008.db2.gz OJERTPUVYSYUJQ-SFHVURJKSA-N 2 0 373.541 3.466 20 0 FGADRP C[C@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)c1ccccc1OC(F)F ZINC000090936962 494504862 /nfs/dbraw/zinc/50/48/62/494504862.db2.gz GDZZMSDRZJLTLM-AWEZNQCLSA-N 2 0 365.424 3.474 20 0 FGADRP Cc1nc2ccccc2n1C[C@@H]1CCCN1C(=O)NC[C@H]1CCC[C@@H]([NH3+])C1 ZINC000580293814 505725054 /nfs/dbraw/zinc/72/50/54/505725054.db2.gz VBMLJHAZRVLQLV-KSZLIROESA-N 2 0 369.513 3.036 20 0 FGADRP CCCC[N@H+](C)CC1CC[NH+]([C@@H](C(=O)NC2CC2)c2ccccc2)CC1 ZINC000074319648 494519044 /nfs/dbraw/zinc/51/90/44/494519044.db2.gz NNMHCHQUQLXCNW-OAQYLSRUSA-N 2 0 357.542 3.450 20 0 FGADRP C[C@@H](C(=O)Nc1ccc(OC(F)F)cc1)[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000056524683 494520932 /nfs/dbraw/zinc/52/09/32/494520932.db2.gz HDHHQEIZBYGMBR-AWEZNQCLSA-N 2 0 369.456 3.279 20 0 FGADRP CCOc1ccc(C[NH2+]CCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1OC ZINC000067452992 494544654 /nfs/dbraw/zinc/54/46/54/494544654.db2.gz SMNSKMGIIRXQBE-CALCHBBNSA-N 2 0 350.503 3.073 20 0 FGADRP Cc1ccc([C@H]([NH2+]Cc2ccnc(N3CC[NH+](C)CC3)c2)C2CC2)cc1 ZINC000091286923 494577805 /nfs/dbraw/zinc/57/78/05/494577805.db2.gz TVFDELDJSKWZIP-QFIPXVFZSA-N 2 0 350.510 3.383 20 0 FGADRP CC[NH+](CC)CCCNC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000080055182 494578146 /nfs/dbraw/zinc/57/81/46/494578146.db2.gz VGTNIQBDYATOSI-UYAOXDASSA-N 2 0 360.546 3.071 20 0 FGADRP CCC[NH+]1CC[C@H](CNc2nc(NC[C@@H]3CC[N@@H+](CCC)C3)ncc2C)C1 ZINC000091457799 494603409 /nfs/dbraw/zinc/60/34/09/494603409.db2.gz DWNBXZCUAINQMH-MOPGFXCFSA-N 2 0 374.577 3.073 20 0 FGADRP CC[NH+](CC)Cc1ccc(CNC(=O)NC[C@H]2CC[N@@H+](C(C)C)C2)cc1 ZINC000067686597 494610923 /nfs/dbraw/zinc/61/09/23/494610923.db2.gz BCQUVUQCIAJEHN-HXUWFJFHSA-N 2 0 360.546 3.058 20 0 FGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H](C)c2sc(C(C)C)nc2C)CC1 ZINC000121155956 494622708 /nfs/dbraw/zinc/62/27/08/494622708.db2.gz WTURMTKFGJAGOA-CVEARBPZSA-N 2 0 352.592 3.499 20 0 FGADRP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](C[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000092426680 494625278 /nfs/dbraw/zinc/62/52/78/494625278.db2.gz FGVWLUDCXAWZTK-SFTDATJTSA-N 2 0 371.569 3.206 20 0 FGADRP CCC[NH+]1CCC(N(C)C(=O)NCC2CC[NH+](CCC(C)C)CC2)CC1 ZINC000080217478 494642964 /nfs/dbraw/zinc/64/29/64/494642964.db2.gz IULADKJCRXWOPB-UHFFFAOYSA-N 2 0 366.594 3.260 20 0 FGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@H](C)c2ccc(SC)c(F)c2)CC1 ZINC000121204719 494645307 /nfs/dbraw/zinc/64/53/07/494645307.db2.gz DYDVXBNYMBYPTQ-JKSUJKDBSA-N 2 0 353.551 3.472 20 0 FGADRP Cc1ccc2c(CC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)coc2c1 ZINC000057157443 494659668 /nfs/dbraw/zinc/65/96/68/494659668.db2.gz BUUSMLGNKGDBMO-UHFFFAOYSA-N 2 0 359.514 3.016 20 0 FGADRP C[NH+](C)Cc1cccc(CNC(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000057169607 494665396 /nfs/dbraw/zinc/66/53/96/494665396.db2.gz OLPYDPQKEGFOGG-QFIPXVFZSA-N 2 0 365.521 3.277 20 0 FGADRP CC[NH+](CC)CCOC1CC[NH+]([C@@H]2CCCN(c3ccccc3)C2=O)CC1 ZINC000075007989 494672860 /nfs/dbraw/zinc/67/28/60/494672860.db2.gz WUGGGXZDIBVVST-OAQYLSRUSA-N 2 0 373.541 3.005 20 0 FGADRP CC[NH+](CC)CCOc1ccccc1C[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000121266998 494674009 /nfs/dbraw/zinc/67/40/09/494674009.db2.gz IKJZTFDFVYPRCJ-NRSPTQNISA-N 2 0 358.526 3.454 20 0 FGADRP C[C@H]1CCC[N@@H+]1C1CCN(C(=O)NCCCC[NH+]2CCC[C@H](C)C2)CC1 ZINC000126307021 494703586 /nfs/dbraw/zinc/70/35/86/494703586.db2.gz JAUIEXWAWRKUJW-OALUTQOASA-N 2 0 364.578 3.157 20 0 FGADRP C[NH+]1CCN(CCC[NH2+][C@H]2CCCc3ccc(Br)cc32)CC1 ZINC000092720767 494726044 /nfs/dbraw/zinc/72/60/44/494726044.db2.gz DEVHVWGIURUKQI-SFHVURJKSA-N 2 0 366.347 3.054 20 0 FGADRP COC(=O)c1occc1C[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821552 494763185 /nfs/dbraw/zinc/76/31/85/494763185.db2.gz LXRIHWQSNLSFFK-UHFFFAOYSA-N 2 0 357.454 3.200 20 0 FGADRP CC(C)[NH+]1CCC(NC(=O)NC2CC[NH+]([C@@H](C)c3ccccc3)CC2)CC1 ZINC000116435815 494786371 /nfs/dbraw/zinc/78/63/71/494786371.db2.gz IUKUHMVHINWLTH-SFHVURJKSA-N 2 0 372.557 3.384 20 0 FGADRP CCc1ccc([C@H](CNC(=O)NC2CC[NH+](C(C)C)CC2)[NH+](C)C)cc1 ZINC000047883510 494788336 /nfs/dbraw/zinc/78/83/36/494788336.db2.gz WQJUBHRAZLTLMO-FQEVSTJZSA-N 2 0 360.546 3.024 20 0 FGADRP CC(C)c1ccc2c(c1)[C@@H]([NH2+]C[C@@H](C)CN1CC[NH+](C)CC1)CCCO2 ZINC000126647722 494810446 /nfs/dbraw/zinc/81/04/46/494810446.db2.gz FQCSAGJBQZDBBL-NQIIRXRSSA-N 2 0 359.558 3.497 20 0 FGADRP COc1ccc([C@H](C)[NH2+]Cc2ccc(CN3CC[NH+](C)CC3)cc2)cc1F ZINC000126672751 494815675 /nfs/dbraw/zinc/81/56/75/494815675.db2.gz WQCJYCHOOGZIEF-KRWDZBQOSA-N 2 0 371.500 3.433 20 0 FGADRP CC(C)[N@H+](C)CCNC(=O)N1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000121633558 494826082 /nfs/dbraw/zinc/82/60/82/494826082.db2.gz IGZLBRKJVFJBTK-RTWAWAEBSA-N 2 0 372.557 3.023 20 0 FGADRP CC[NH+]1CCC(CC[NH2+][C@H](C)CC(=O)Nc2cccnc2Cl)CC1 ZINC000121641450 494828216 /nfs/dbraw/zinc/82/82/16/494828216.db2.gz KCMDGCCFLTYJME-CQSZACIVSA-N 2 0 352.910 3.164 20 0 FGADRP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3ccccc3OC3CCCC3)C2)CC1 ZINC000093132715 494831224 /nfs/dbraw/zinc/83/12/24/494831224.db2.gz NIKAXHSLXKLZAU-FQEVSTJZSA-N 2 0 357.542 3.220 20 0 FGADRP O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)NC1CC[NH+](C2CC2)CC1 ZINC000027367019 494865183 /nfs/dbraw/zinc/86/51/83/494865183.db2.gz VLKKKMMNSRXJCQ-UHFFFAOYSA-N 2 0 370.541 3.099 20 0 FGADRP C[C@@H]1C[N@@H+](CC2CC[NH+](CCC(=O)c3ccc(F)cc3)CC2)C[C@H](C)O1 ZINC000121972464 494901624 /nfs/dbraw/zinc/90/16/24/494901624.db2.gz CKTHWVWMDMRLAP-CALCHBBNSA-N 2 0 362.489 3.220 20 0 FGADRP C[NH+]1CCN(c2ccc(C[NH2+][C@H]3CCCc4ccc(F)cc43)cn2)CC1 ZINC000132707205 494913031 /nfs/dbraw/zinc/91/30/31/494913031.db2.gz FYQSNTRGZKUBFS-FQEVSTJZSA-N 2 0 354.473 3.140 20 0 FGADRP COCC[N@H+](C)CCCC1CC[NH+](Cc2ccc(NC(C)=O)cc2)CC1 ZINC000093769430 494918566 /nfs/dbraw/zinc/91/85/66/494918566.db2.gz QTHWEVCUWXKNHO-UHFFFAOYSA-N 2 0 361.530 3.215 20 0 FGADRP C[C@@H]1C[N@@H+](CCC2CC[NH+](Cc3cnn(C(C)(C)C)c3)CC2)C[C@H](C)O1 ZINC000093844472 494927546 /nfs/dbraw/zinc/92/75/46/494927546.db2.gz JCISQVUVTUZFMZ-HDICACEKSA-N 2 0 362.562 3.349 20 0 FGADRP COCCN1CCC[C@@H]1C[NH2+][C@@H]1CCCc2ncc(C(F)(F)F)cc21 ZINC000132844427 494931879 /nfs/dbraw/zinc/93/18/79/494931879.db2.gz OMDBUYJNBGJJGZ-RHSMWYFYSA-N 2 0 357.420 3.178 20 0 FGADRP C[NH+](C)[C@@H](CNC1CC[NH+](CCc2ccccc2)CC1)Cc1ccccc1 ZINC000132876308 494936323 /nfs/dbraw/zinc/93/63/23/494936323.db2.gz VTODGBCSBFIJQR-XMMPIXPASA-N 2 0 365.565 3.456 20 0 FGADRP CC[N@H+](C)Cc1cccc(CNC(=O)N(CC[NH+](C)C)C2CCCC2)c1 ZINC000122446405 494976392 /nfs/dbraw/zinc/97/63/92/494976392.db2.gz QOLFCFJOUMUEFC-UHFFFAOYSA-N 2 0 360.546 3.154 20 0 FGADRP C[C@H](C(=O)NC1CC[NH+](C2CC2)CC1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000110614038 494994256 /nfs/dbraw/zinc/99/42/56/494994256.db2.gz NSHFHILSUMXJRC-GOSISDBHSA-N 2 0 369.553 3.073 20 0 FGADRP CC[NH+](CC)CCOc1ccc(C(=O)Nc2ccccc2C[NH2+]C)cc1 ZINC000122744599 495024297 /nfs/dbraw/zinc/02/42/97/495024297.db2.gz DMGFDYOBCXDBHK-UHFFFAOYSA-N 2 0 355.482 3.379 20 0 FGADRP C[C@H]1CSCC[N@H+](Cc2cncc(C[NH+]3CCSC[C@@H](C)C3)c2)C1 ZINC000577577874 505756903 /nfs/dbraw/zinc/75/69/03/505756903.db2.gz WDPSLXRNIUBEJN-CALCHBBNSA-N 2 0 365.612 3.451 20 0 FGADRP O=C(C[N@@H+]1CC[C@@H]2CCCC[C@@H]21)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000101549670 495075572 /nfs/dbraw/zinc/07/55/72/495075572.db2.gz IOKSUCSIAQSCNU-ICSRJNTNSA-N 2 0 373.566 3.438 20 0 FGADRP CCCC[NH+]1CCC(NC(=O)NC[C@H](c2ccc(C)cc2)[NH+](C)C)CC1 ZINC000102005297 495114729 /nfs/dbraw/zinc/11/47/29/495114729.db2.gz DUVPYIPIKHFCNL-HXUWFJFHSA-N 2 0 360.546 3.161 20 0 FGADRP Cc1ccccc1CCNC(=O)[C@H](C)[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123477429 495138156 /nfs/dbraw/zinc/13/81/56/495138156.db2.gz QRXMXBVCNYFJIT-IBGZPJMESA-N 2 0 359.558 3.096 20 0 FGADRP C[C@H]([NH2+]Cc1cccc(C[NH+](C)C)c1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000123656914 495167496 /nfs/dbraw/zinc/16/74/96/495167496.db2.gz VJBNZBIHKPQXEF-AWEZNQCLSA-N 2 0 364.486 3.142 20 0 FGADRP C[C@H]1CN(C(C)(C)C[NH2+]C2CC[NH+](C3CCCCC3)CC2)C[C@H](C)O1 ZINC000119454337 495170040 /nfs/dbraw/zinc/17/00/40/495170040.db2.gz KRAFYAWRMAKVCL-ROUUACIJSA-N 2 0 351.579 3.261 20 0 FGADRP C[C@@H]1CN(C(C)(C)C[NH2+]C2CC[NH+](C3CCCCC3)CC2)C[C@@H](C)O1 ZINC000119454477 495170294 /nfs/dbraw/zinc/17/02/94/495170294.db2.gz KRAFYAWRMAKVCL-QZTJIDSGSA-N 2 0 351.579 3.261 20 0 FGADRP C[NH+](C)CCCN(CCC[NH+](C)C)Cc1cc(F)ccc1Br ZINC000580483662 505768870 /nfs/dbraw/zinc/76/88/70/505768870.db2.gz OUWGQNYVKXLONT-UHFFFAOYSA-N 2 0 374.342 3.294 20 0 FGADRP CCN(CC(=O)N(Cc1cccc(F)c1)C(C)(C)C)[C@@H]1CCC[NH2+]CC1 ZINC000568749361 505769343 /nfs/dbraw/zinc/76/93/43/505769343.db2.gz WLUXKRYNSQYKCQ-LJQANCHMSA-N 2 0 363.521 3.417 20 0 FGADRP CC[NH+](CC)Cc1ccccc1CNC(=O)N(C)CC1CC[NH+](C)CC1 ZINC000103508068 495244427 /nfs/dbraw/zinc/24/44/27/495244427.db2.gz GCBZBAGBSNAIAJ-UHFFFAOYSA-N 2 0 360.546 3.012 20 0 FGADRP CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)[C@@H](C)[NH+]2CCCCCC2)c1 ZINC000580487645 505769349 /nfs/dbraw/zinc/76/93/49/505769349.db2.gz HEOPIOKHYBVNII-QGZVFWFLSA-N 2 0 374.529 3.170 20 0 FGADRP CCN(CC(=O)N(Cc1cccc(F)c1)C(C)(C)C)[C@H]1CCC[NH2+]CC1 ZINC000568749360 505769422 /nfs/dbraw/zinc/76/94/22/505769422.db2.gz WLUXKRYNSQYKCQ-IBGZPJMESA-N 2 0 363.521 3.417 20 0 FGADRP C[NH+]1CCN(c2ncccc2C[NH2+][C@H]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC000129509345 495254741 /nfs/dbraw/zinc/25/47/41/495254741.db2.gz PAGDPTYBYYRABB-HOTGVXAUSA-N 2 0 356.436 3.044 20 0 FGADRP CSc1ccc([C@H](C)[NH2+]CC2CC[NH+](CCN(C)C)CC2)cc1F ZINC000124391899 495280173 /nfs/dbraw/zinc/28/01/73/495280173.db2.gz DAVKPDCZWMZUKX-HNNXBMFYSA-N 2 0 353.551 3.472 20 0 FGADRP CCCC[N@H+](CC)Cc1cccc(CNC(=O)NCC2CC[NH+](C)CC2)c1 ZINC000135401486 495287702 /nfs/dbraw/zinc/28/77/02/495287702.db2.gz RJVXJUSZPBRNSU-UHFFFAOYSA-N 2 0 374.573 3.450 20 0 FGADRP C[NH+](C)C[C@@H]1CCN(C(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)C1 ZINC000129776340 495294504 /nfs/dbraw/zinc/29/45/04/495294504.db2.gz CAIAZOQWENTNIR-NRFANRHFSA-N 2 0 372.557 3.156 20 0 FGADRP C[C@@H](CS(=O)(=O)c1ccccc1)[NH2+]CCCCC[NH+]1CCCCC1 ZINC000120085675 495304525 /nfs/dbraw/zinc/30/45/25/495304525.db2.gz KCBFQWORLNIAEU-SFHVURJKSA-N 2 0 352.544 3.095 20 0 FGADRP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccccc3Oc3cccnc3)C2)CC1 ZINC000113504113 495307785 /nfs/dbraw/zinc/30/77/85/495307785.db2.gz NGJBYBIZWUOTNR-HXUWFJFHSA-N 2 0 366.509 3.086 20 0 FGADRP C[C@@H](C(=O)Nc1cccc(C[NH+]2CCSCC2)c1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000104873698 495312265 /nfs/dbraw/zinc/31/22/65/495312265.db2.gz XEDRRHBLOWXAAE-BBWFWOEESA-N 2 0 361.555 3.435 20 0 FGADRP C[C@H]([NH2+]C(C)(C)CNC(=O)NC1CC[NH+](C2CC2)CC1)c1ccccc1 ZINC000113586114 495317708 /nfs/dbraw/zinc/31/77/08/495317708.db2.gz POXBUZHEERWOCZ-INIZCTEOSA-N 2 0 358.530 3.042 20 0 FGADRP CCc1ccc([C@H](CNC(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)[NH+](C)C)cc1 ZINC000105083257 495335169 /nfs/dbraw/zinc/33/51/69/495335169.db2.gz LVMMHAKGRMHYQY-FPOVZHCZSA-N 2 0 374.573 3.271 20 0 FGADRP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)NCC1CC[NH+](C)CC1 ZINC000105113095 495337902 /nfs/dbraw/zinc/33/79/02/495337902.db2.gz VPWDWVUMKXYYLH-SFHVURJKSA-N 2 0 372.557 3.202 20 0 FGADRP C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)NCC2CC[NH+](C)CC2)C1 ZINC000105113400 495338127 /nfs/dbraw/zinc/33/81/27/495338127.db2.gz WAKVVRHBTZOUQZ-SFHVURJKSA-N 2 0 372.557 3.060 20 0 FGADRP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)NCCC[NH+](C)C2CCCCC2)C1 ZINC000105128161 495338981 /nfs/dbraw/zinc/33/89/81/495338981.db2.gz VFEOMPKGGFFAOE-SFHVURJKSA-N 2 0 352.567 3.061 20 0 FGADRP C[C@@H]([NH3+])C[C@H](C)NC(=O)NCCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000574450043 505776458 /nfs/dbraw/zinc/77/64/58/505776458.db2.gz CHCBPDYMMUYNLG-MOPGFXCFSA-N 2 0 374.573 3.146 20 0 FGADRP C[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)c1ccc(Cl)s1 ZINC000130463758 495396175 /nfs/dbraw/zinc/39/61/75/495396175.db2.gz OLQMJDMGKFMYFL-ZDUSSCGKSA-N 2 0 350.919 3.399 20 0 FGADRP CC[C@@H](C)[N@H+](C)CCNC(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000125159473 495399986 /nfs/dbraw/zinc/39/99/86/495399986.db2.gz YWFBUBLYIBZJGY-LMDPOFIKSA-N 2 0 352.567 3.059 20 0 FGADRP CC(C)(C)[N@@H+]1CCCN(C(=O)N[C@@H](C[NH3+])c2ccc3ccccc3c2)CC1 ZINC000580533176 505781100 /nfs/dbraw/zinc/78/11/00/505781100.db2.gz NMMNFWSVSXSCMG-FQEVSTJZSA-N 2 0 368.525 3.355 20 0 FGADRP CC[C@@H]([NH2+]CCCC[NH+]1CCN(c2cccc(C)c2)CC1)c1cnn(C)c1 ZINC000125324050 495425797 /nfs/dbraw/zinc/42/57/97/495425797.db2.gz YAZVYZSDZUXWDP-JOCHJYFZSA-N 2 0 369.557 3.372 20 0 FGADRP C[C@H]1CCC[N@@H+]1C1CCN(C(=O)c2cccc(C[NH+]3CCCC3)c2)CC1 ZINC000125432196 495443410 /nfs/dbraw/zinc/44/34/10/495443410.db2.gz VZIHFVJXHJGCLG-SFHVURJKSA-N 2 0 355.526 3.371 20 0 FGADRP O=C(CC[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1)Nc1ccccc1C(F)(F)F ZINC000137588690 495446602 /nfs/dbraw/zinc/44/66/02/495446602.db2.gz FPKZUGLUGLXSNO-HNNXBMFYSA-N 2 0 369.431 3.452 20 0 FGADRP CC(=O)N1CC[C@@H]([NH2+]CC2([NH3+])C3CC4CC(C3)CC2C4)c2ccccc2C1 ZINC000580550982 505784612 /nfs/dbraw/zinc/78/46/12/505784612.db2.gz NKKVGAMCSZGALE-PQDNMRQUSA-N 2 0 367.537 3.223 20 0 FGADRP c1ccc([C@@H](C[NH+]2CCCC2)NC2CC[NH+](Cc3cccnc3)CC2)cc1 ZINC000120885182 495478275 /nfs/dbraw/zinc/47/82/75/495478275.db2.gz ZULGLPMZQGUTRU-HSZRJFAPSA-N 2 0 364.537 3.473 20 0 FGADRP C[N@@H+]1CCC[C@@H]2C[NH+](CCC(=O)Nc3ccccc3C(F)(F)F)CC[C@@H]21 ZINC000139966754 495486127 /nfs/dbraw/zinc/48/61/27/495486127.db2.gz UQUQDSAXMIUREO-PBHICJAKSA-N 2 0 369.431 3.450 20 0 FGADRP CCc1nocc1CNC[C@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000577752886 505785437 /nfs/dbraw/zinc/78/54/37/505785437.db2.gz BWLREHUMBGNVQD-FQEVSTJZSA-N 2 0 369.509 3.255 20 0 FGADRP C[C@@H]([NH2+]CCCC[NH+]1CCN(C)CC1)c1ccc(Br)c(F)c1 ZINC000131127829 495495810 /nfs/dbraw/zinc/49/58/10/495495810.db2.gz RFGBDQBUTSTUGF-CQSZACIVSA-N 2 0 372.326 3.266 20 0 FGADRP CC[C@@H]([NH2+]C[C@H](C)CN1CC[NH+](C)CC1)c1ccccc1OC(F)F ZINC000121001343 495500430 /nfs/dbraw/zinc/50/04/30/495500430.db2.gz GWNCVHNJRATQOQ-DOTOQJQBSA-N 2 0 355.473 3.212 20 0 FGADRP CC[N@H+](C)Cc1cccc(CNC(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)c1 ZINC000141379749 495506198 /nfs/dbraw/zinc/50/61/98/495506198.db2.gz BBXCJBCACLJUOH-GOSISDBHSA-N 2 0 360.546 3.058 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H](NC[C@]2([NH+](C)C)CCC[C@H](C)C2)[C@H](C)C1 ZINC000131247156 495511837 /nfs/dbraw/zinc/51/18/37/495511837.db2.gz RRHVKWRBSZKEAU-WOZUAGRISA-N 2 0 353.595 3.224 20 0 FGADRP C[C@@H](c1ccccc1Cl)N1CCN(C(=O)c2ccccc2CC[NH3+])CC1 ZINC000577764504 505788034 /nfs/dbraw/zinc/78/80/34/505788034.db2.gz IYKSXCTWQRJFJJ-INIZCTEOSA-N 2 0 371.912 3.360 20 0 FGADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@H](O)COc1cccc(Cl)c1Cl ZINC000154279709 495566775 /nfs/dbraw/zinc/56/67/75/495566775.db2.gz GWEKSUDOLUTFHP-CXTNEJHOSA-N 2 0 361.313 3.051 20 0 FGADRP CCS(=O)(=O)C[C@H](C)[NH2+]Cc1ccc(C[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000182465174 495573612 /nfs/dbraw/zinc/57/36/12/495573612.db2.gz RLKVEKYEYUZJQW-BZSNNMDCSA-N 2 0 366.571 3.077 20 0 FGADRP Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000179397837 495575410 /nfs/dbraw/zinc/57/54/10/495575410.db2.gz FQUHDMQVTNLRMU-XLIONFOSSA-N 2 0 350.510 3.480 20 0 FGADRP CC[NH+](CC)CC(=O)NC[C@H](c1ccccc1)N1CCc2sccc2C1 ZINC000149316330 495593262 /nfs/dbraw/zinc/59/32/62/495593262.db2.gz WLRXMIZVBICTTJ-LJQANCHMSA-N 2 0 371.550 3.306 20 0 FGADRP CN1CC[NH+](CCCC[NH2+][C@@H]2CCSc3ccc(Cl)cc32)CC1 ZINC000154379661 495599149 /nfs/dbraw/zinc/59/91/49/495599149.db2.gz KFVZSHFENVZUHH-QGZVFWFLSA-N 2 0 353.963 3.494 20 0 FGADRP O[C@@H](Cc1ccccc1C(F)(F)F)C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000154379883 495599238 /nfs/dbraw/zinc/59/92/38/495599238.db2.gz CEBWXGUOKOPKIC-AEFFLSMTSA-N 2 0 370.459 3.417 20 0 FGADRP CC(C)CN(CC[NH+](C)C)C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000150060228 495605213 /nfs/dbraw/zinc/60/52/13/495605213.db2.gz CSCHILHDPIHUEY-UHFFFAOYSA-N 2 0 374.573 3.128 20 0 FGADRP CCN1CC[NH+](CCCC[NH2+][C@@H]2CCSc3ccc(F)cc32)CC1 ZINC000154448266 495619283 /nfs/dbraw/zinc/61/92/83/495619283.db2.gz KSUIBSBJEYRNDO-GOSISDBHSA-N 2 0 351.535 3.370 20 0 FGADRP O=C(NCCC[NH+]1CCCCC1)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000170886107 495641204 /nfs/dbraw/zinc/64/12/04/495641204.db2.gz VSOINHURQUKSPN-FQEVSTJZSA-N 2 0 364.578 3.160 20 0 FGADRP CC[NH+](CC)CCCC1CCN(C(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000182638692 495645672 /nfs/dbraw/zinc/64/56/72/495645672.db2.gz POFBVDRHYVMQLZ-PMACEKPBSA-N 2 0 366.594 3.403 20 0 FGADRP Cc1ccc2c(c1)OCCC[C@@H]2[NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000159142567 495668596 /nfs/dbraw/zinc/66/85/96/495668596.db2.gz WPNIAZPRFRANQJ-FQEVSTJZSA-N 2 0 366.509 3.145 20 0 FGADRP C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)NC[C@H]2CCC[NH+](C)C2)c1 ZINC000170979837 495675795 /nfs/dbraw/zinc/67/57/95/495675795.db2.gz AISMWVYUOGWPGJ-OAQYLSRUSA-N 2 0 365.521 3.390 20 0 FGADRP CN(c1ccccc1C[NH2+]C[C@@H](O)c1ccsc1)C1CC[NH+](C)CC1 ZINC000150965625 495696863 /nfs/dbraw/zinc/69/68/63/495696863.db2.gz SGCPOAYVSNARDM-HXUWFJFHSA-N 2 0 359.539 3.102 20 0 FGADRP Cc1ccc([C@@H](CNC(=O)N2CC[C@@H]([NH+]3CCCC3)C2)[NH+]2CCCC2)cc1 ZINC000171056928 495705244 /nfs/dbraw/zinc/70/52/44/495705244.db2.gz GNFPLPWANKVZOG-NHCUHLMSSA-N 2 0 370.541 3.012 20 0 FGADRP COc1ccc(NC(=O)CC[NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1 ZINC000185755536 495712263 /nfs/dbraw/zinc/71/22/63/495712263.db2.gz MXLINANZBFGRMP-IAGOWNOFSA-N 2 0 359.514 3.266 20 0 FGADRP C[C@@H]([NH2+]C[C@@H]1CN(c2ccccc2)C(=O)O1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185763111 495715961 /nfs/dbraw/zinc/71/59/61/495715961.db2.gz VUNNOWNNYDJCKI-MBOZVWFJSA-N 2 0 357.498 3.254 20 0 FGADRP C[C@H]([NH2+]Cc1ccc(N2CCCC2)nc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000151034728 495717823 /nfs/dbraw/zinc/71/78/23/495717823.db2.gz CSFJNBXHVCSRMT-SFHVURJKSA-N 2 0 368.525 3.473 20 0 FGADRP C[C@H](C[NH+]1CCCCC1)NC(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000173858548 495722010 /nfs/dbraw/zinc/72/20/10/495722010.db2.gz GXPIOQBGIPUPAH-CTNGQTDRSA-N 2 0 372.557 3.024 20 0 FGADRP Cc1cc([C@@H](C)[NH2+]CCCC[NH+]2CCN(C)CC2)sc1Br ZINC000577834796 505800595 /nfs/dbraw/zinc/80/05/95/505800595.db2.gz YRGYBUYCODRHAU-CQSZACIVSA-N 2 0 374.392 3.497 20 0 FGADRP CC[NH+](CC)[C@H](C(=O)NC[C@@H](C)C[NH2+]C)c1cccc(C(F)(F)F)c1 ZINC000154794027 495729901 /nfs/dbraw/zinc/72/99/01/495729901.db2.gz SKXDUNCLLVDTOT-BBRMVZONSA-N 2 0 359.436 3.060 20 0 FGADRP CC[N@H+](C)C[C@H]1CC[NH+](C[C@H](O)Cn2c3ccccc3c3ccccc32)C1 ZINC000173906865 495742073 /nfs/dbraw/zinc/74/20/73/495742073.db2.gz DHOIHUBNFVZMMF-MOPGFXCFSA-N 2 0 365.521 3.429 20 0 FGADRP COCC1=CC[NH+](Cc2ccccc2C[N@H+]2CC=C(COC)CC2)CC1 ZINC000185862531 495753823 /nfs/dbraw/zinc/75/38/23/495753823.db2.gz DIAQCYIQKGPKGL-UHFFFAOYSA-N 2 0 356.510 3.244 20 0 FGADRP CCC[N@H+](C)C[C@H]1CC[NH+](C[C@H](O)Cc2ccccc2C(F)(F)F)C1 ZINC000154869514 495755432 /nfs/dbraw/zinc/75/54/32/495755432.db2.gz ORTOAKDGNMCEEP-NVXWUHKLSA-N 2 0 358.448 3.273 20 0 FGADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1cc(Cl)ccc1Br ZINC000185863405 495755883 /nfs/dbraw/zinc/75/58/83/495755883.db2.gz UQBLRZJUFQNOIL-ZDUSSCGKSA-N 2 0 374.754 3.218 20 0 FGADRP C[C@@H]([NH2+]Cc1ccccc1C[NH2+][C@H](C)C1CCOCC1)C1CCOCC1 ZINC000179852076 495758750 /nfs/dbraw/zinc/75/87/50/495758750.db2.gz OMBLQLRPLUOUEY-QZTJIDSGSA-N 2 0 360.542 3.496 20 0 FGADRP CC[C@H](c1ccc(Br)cc1)[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000182956800 495774945 /nfs/dbraw/zinc/77/49/45/495774945.db2.gz QSUHNMSWPRXYEN-GOSISDBHSA-N 2 0 368.363 3.470 20 0 FGADRP C[C@@H]1CC[C@H](C)C[N@H+]1CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000174015003 495788427 /nfs/dbraw/zinc/78/84/27/495788427.db2.gz LBSADRCOCXRHMD-DLBZAZTESA-N 2 0 361.555 3.294 20 0 FGADRP C[NH+](C)CCCN(CCC[NH+](C)C)c1nc(C(F)F)nc2ccccc21 ZINC000176819862 495799372 /nfs/dbraw/zinc/79/93/72/495799372.db2.gz GQMCFUDRUAMHOX-UHFFFAOYSA-N 2 0 365.472 3.277 20 0 FGADRP CC[NH+]1CCN(CCC[NH2+]Cc2ccc(-c3ccccc3)cc2OC)CC1 ZINC000183045810 495812269 /nfs/dbraw/zinc/81/22/69/495812269.db2.gz ORHVQQZKZVXUNP-UHFFFAOYSA-N 2 0 367.537 3.479 20 0 FGADRP CC[N@H+](Cc1ccc(C(=O)N2CC[C@@H]3[C@H](CCC[NH+]3C)C2)cc1)C(C)C ZINC000155058002 495819456 /nfs/dbraw/zinc/81/94/56/495819456.db2.gz HQJJSVLZTSHSCR-NHCUHLMSSA-N 2 0 357.542 3.473 20 0 FGADRP C[C@@H]([NH2+]Cc1ccccc1C[N@H+](C)Cc1ccco1)C(=O)NC(C)(C)C ZINC000174155580 495841232 /nfs/dbraw/zinc/84/12/32/495841232.db2.gz DDVDGBFXGARNDK-MRXNPFEDSA-N 2 0 357.498 3.304 20 0 FGADRP C[C@H]([NH2+]Cc1ccccc1C[N@H+](C)Cc1ccco1)C(=O)NC(C)(C)C ZINC000174155567 495841398 /nfs/dbraw/zinc/84/13/98/495841398.db2.gz DDVDGBFXGARNDK-INIZCTEOSA-N 2 0 357.498 3.304 20 0 FGADRP COc1ccc([C@H]([NH2+]C2CCN(CC[NH+](C)C)CC2)c2ccccc2)cc1 ZINC000180077653 495847924 /nfs/dbraw/zinc/84/79/24/495847924.db2.gz PFOOPHQLNJNVPC-HSZRJFAPSA-N 2 0 367.537 3.400 20 0 FGADRP Cn1cc(CCC[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)cn1 ZINC000183135861 495849098 /nfs/dbraw/zinc/84/90/98/495849098.db2.gz IFWTZSLJNIIYLZ-BHIFYINESA-N 2 0 352.526 3.243 20 0 FGADRP C[NH+](C)Cc1ccnc(NC(=O)[C@H]2CCC[N@H+](Cc3cccc(F)c3)C2)c1 ZINC000176938729 495849515 /nfs/dbraw/zinc/84/95/15/495849515.db2.gz LNGYVTFKLFEVBH-SFHVURJKSA-N 2 0 370.472 3.133 20 0 FGADRP Cc1ccccc1[C@@H]([NH3+])C(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000577865026 505808212 /nfs/dbraw/zinc/80/82/12/505808212.db2.gz CQQIOTRLGDGPEP-LAUBAEHRSA-N 2 0 351.494 3.337 20 0 FGADRP CC[NH+]1CCN(CCC[NH2+]Cc2ccc(-c3ccccc3OC)cc2)CC1 ZINC000174267532 495888213 /nfs/dbraw/zinc/88/82/13/495888213.db2.gz XDQAGPLHJDVXRS-UHFFFAOYSA-N 2 0 367.537 3.479 20 0 FGADRP C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2Cc2ccccc2)[C@@H]1c1ccccc1 ZINC000180191724 495899068 /nfs/dbraw/zinc/89/90/68/495899068.db2.gz YRNZPOOZNMKPDG-FKBYEOEOSA-N 2 0 363.505 3.213 20 0 FGADRP CCC[NH+]1CCC([N@H+](C)CCC(=O)N[C@@H]2CCCc3ccccc32)CC1 ZINC000177052365 495903100 /nfs/dbraw/zinc/90/31/00/495903100.db2.gz LPGJDLABGQGORH-OAQYLSRUSA-N 2 0 357.542 3.377 20 0 FGADRP CC[C@H](C(=O)N1CCCC[C@H]([NH+]2CCCC2)C1)[N@H+](C)Cc1ccccc1 ZINC000568937007 505812289 /nfs/dbraw/zinc/81/22/89/505812289.db2.gz POWRCPNSWVKBTC-LEWJYISDSA-N 2 0 357.542 3.374 20 0 FGADRP Cc1ccc2c(c1)[C@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)[C@H](C)C2 ZINC000180266993 495930452 /nfs/dbraw/zinc/93/04/52/495930452.db2.gz JWGTZABCVQOOCK-DYESRHJHSA-N 2 0 350.510 3.165 20 0 FGADRP C[C@@H]1C[NH+](CCCC[NH2+]Cc2ccc(Oc3cnccn3)cc2)C[C@@H](C)O1 ZINC000174414028 495948292 /nfs/dbraw/zinc/94/82/92/495948292.db2.gz VZYWLPHKXLZECP-QZTJIDSGSA-N 2 0 370.497 3.248 20 0 FGADRP COc1cccc(C[C@H]([NH2+]CC2CC[NH+](CCO)CC2)c2ccccc2)c1 ZINC000151808564 495954353 /nfs/dbraw/zinc/95/43/53/495954353.db2.gz JXUVZAXVMRWBHK-QHCPKHFHSA-N 2 0 368.521 3.273 20 0 FGADRP CC(C)C[NH+]1CCC(NC(=O)N[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC000177181145 495963221 /nfs/dbraw/zinc/96/32/21/495963221.db2.gz SPFIRWAUIHVUHM-GHTZIAJQSA-N 2 0 372.557 3.069 20 0 FGADRP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000180378772 495972616 /nfs/dbraw/zinc/97/26/16/495972616.db2.gz QMDBUBXOHUBVFX-GOSISDBHSA-N 2 0 368.525 3.068 20 0 FGADRP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+]2C[C@@H](C)CC[C@@H]2C)CC1 ZINC000174468543 495973433 /nfs/dbraw/zinc/97/34/33/495973433.db2.gz KZASVHWUGLJGDY-HKUYNNGSSA-N 2 0 357.542 3.196 20 0 FGADRP CC(C)n1cc([C@@H](C)[NH2+]CCCN2CC[N@H+](C)C[C@@H]2c2ccccc2)cn1 ZINC000151903274 495986858 /nfs/dbraw/zinc/98/68/58/495986858.db2.gz ZZJZGTAUJHMFDN-DENIHFKCSA-N 2 0 369.557 3.493 20 0 FGADRP COc1cccc([C@H](C)[NH2+]Cc2ccc(CN3CC[NH+](C)CC3)cc2)c1 ZINC000177233327 495987172 /nfs/dbraw/zinc/98/71/72/495987172.db2.gz IALNFOHUMFITSH-SFHVURJKSA-N 2 0 353.510 3.293 20 0 FGADRP Cc1ccc2c(c1)[C@@H]([NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1)[C@H](C)C2 ZINC000180413385 495987109 /nfs/dbraw/zinc/98/71/09/495987109.db2.gz QXJDXJSADQEFOP-VGSWGCGISA-N 2 0 365.521 3.310 20 0 FGADRP C[NH+](C)Cc1cccc(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000155546315 495990154 /nfs/dbraw/zinc/99/01/54/495990154.db2.gz GXBPUCGMYJMULO-UHFFFAOYSA-N 2 0 351.494 3.143 20 0 FGADRP [NH3+]C[C@@H](C(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)c1ccccc1 ZINC000571793830 505816688 /nfs/dbraw/zinc/81/66/88/505816688.db2.gz DIRRTSTVGABBEE-UYAOXDASSA-N 2 0 371.912 3.336 20 0 FGADRP CC(C)c1ccc([C@H]([NH3+])CNC(=O)c2ccccc2OCC[NH+](C)C)cc1 ZINC000151962038 496005445 /nfs/dbraw/zinc/00/54/45/496005445.db2.gz SESBVYPFEHLTJK-HXUWFJFHSA-N 2 0 369.509 3.180 20 0 FGADRP C[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1)C1CCCCC1 ZINC000177318370 496016418 /nfs/dbraw/zinc/01/64/18/496016418.db2.gz SGNXHKRUPLUBDP-UTKZUKDTSA-N 2 0 357.542 3.442 20 0 FGADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+]C(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000180496605 496021330 /nfs/dbraw/zinc/02/13/30/496021330.db2.gz QUYGPKTZURFGNT-INIZCTEOSA-N 2 0 359.464 3.280 20 0 FGADRP C[NH+]1CCC(C[NH2+]CC2=Cc3ccccc3OC2)(N2CCCCC2)CC1 ZINC000174581869 496021344 /nfs/dbraw/zinc/02/13/44/496021344.db2.gz WOMFRBHIXVXXHO-UHFFFAOYSA-N 2 0 355.526 3.002 20 0 FGADRP C[C@@H]([NH2+]C1(CNC(=O)N2CC[C@]3(CC[NH2+]C3)C2)CCCC1)c1ccccc1 ZINC000580704394 505818714 /nfs/dbraw/zinc/81/87/14/505818714.db2.gz SCSYMMNLCNYOIC-NQIIRXRSSA-N 2 0 370.541 3.045 20 0 FGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H](c2ccccc2)c2ccc(F)cn2)CC1 ZINC000183553402 496027806 /nfs/dbraw/zinc/02/78/06/496027806.db2.gz HGJDOFFPMBEOII-GCJKJVERSA-N 2 0 370.516 3.173 20 0 FGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@H](c2ccccc2)c2ccc(F)cn2)CC1 ZINC000183553422 496028924 /nfs/dbraw/zinc/02/89/24/496028924.db2.gz HGJDOFFPMBEOII-PGRDOPGGSA-N 2 0 370.516 3.173 20 0 FGADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H](C)c2sc(-c3cccnc3)nc2C)CC1 ZINC000155673181 496032083 /nfs/dbraw/zinc/03/20/83/496032083.db2.gz GBJSRLNTEFIFBI-HZPDHXFCSA-N 2 0 373.570 3.190 20 0 FGADRP CC[C@H](C)[C@H]([NH3+])C(=O)NC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000155730482 496049906 /nfs/dbraw/zinc/04/99/06/496049906.db2.gz YULZRICGFMQNAK-SJCJKPOMSA-N 2 0 372.340 3.447 20 0 FGADRP Cc1nc(C(C)(C)C)sc1[C@@H](C)[NH2+][C@@H](C)CCN1CC[NH+](C)CC1 ZINC000186577179 496053515 /nfs/dbraw/zinc/05/35/15/496053515.db2.gz IONALTSOGJUPDC-LSDHHAIUSA-N 2 0 352.592 3.426 20 0 FGADRP CCOc1ccc([C@@H](C)[NH2+]C[C@H](C)N2CC[NH+](CC)CC2)cc1OCC ZINC000155743143 496053697 /nfs/dbraw/zinc/05/36/97/496053697.db2.gz BJVWSGILPDQWRB-ZWKOTPCHSA-N 2 0 363.546 3.161 20 0 FGADRP COc1cc([C@H](C)[NH2+][C@@H](C)CCN2CC[NH+](C)CC2)ccc1SC ZINC000186602792 496068128 /nfs/dbraw/zinc/06/81/28/496068128.db2.gz VGIREXLTGTVBHP-HOTGVXAUSA-N 2 0 351.560 3.094 20 0 FGADRP COc1cc([C@H](C)[NH2+][C@H](C)CCN2CC[NH+](C)CC2)ccc1SC ZINC000186602812 496068435 /nfs/dbraw/zinc/06/84/35/496068435.db2.gz VGIREXLTGTVBHP-CVEARBPZSA-N 2 0 351.560 3.094 20 0 FGADRP CC(C)N1CC[C@@H]([NH2+]Cc2ccccc2C[N@H+](C)Cc2ccco2)C1=O ZINC000177458678 496069659 /nfs/dbraw/zinc/06/96/59/496069659.db2.gz ZIBRXUMVZYLPSG-HXUWFJFHSA-N 2 0 355.482 3.011 20 0 FGADRP O=C(C[NH+]1C[C@@H]2CCCC[C@H]2C1)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000177521253 496095529 /nfs/dbraw/zinc/09/55/29/496095529.db2.gz HRHQJUIYSRSLRQ-OALUTQOASA-N 2 0 373.566 3.296 20 0 FGADRP COc1ccc(CN2CCC[C@@H]3C[N@H+](C)CC[C@H]32)c(Br)c1 ZINC000577945346 505824664 /nfs/dbraw/zinc/82/46/64/505824664.db2.gz WQUGFPRCOMUTNC-RHSMWYFYSA-N 2 0 353.304 3.374 20 0 FGADRP Cc1ccc(NC(=O)[C@H](C)[NH+]2[C@@H](C)CC[C@@H]2C)cc1NC(=O)CC[NH+](C)C ZINC000183838600 496131553 /nfs/dbraw/zinc/13/15/53/496131553.db2.gz DYKYPCJYGJYYGY-ULQDDVLXSA-N 2 0 374.529 3.085 20 0 FGADRP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)NCc1ccccc1C[NH+](C)C(C)C ZINC000156059388 496146221 /nfs/dbraw/zinc/14/62/21/496146221.db2.gz VWTYSLGOTFTCRA-FQEVSTJZSA-N 2 0 360.546 3.008 20 0 FGADRP CC[C@H]1C[N@H+](CC(=O)NC2CC[NH+](C(C)C)CC2)CC[C@@H]1c1ccccc1 ZINC000174889094 496151233 /nfs/dbraw/zinc/15/12/33/496151233.db2.gz FFUIKDPLJVZFBU-UGKGYDQZSA-N 2 0 371.569 3.491 20 0 FGADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)NCC(C)(C)[NH2+][C@@H](C)c2ccccc2)C1 ZINC000174890213 496151383 /nfs/dbraw/zinc/15/13/83/496151383.db2.gz MQRHAANAFPMQIF-RBUKOAKNSA-N 2 0 374.573 3.489 20 0 FGADRP CCC[N@H+](C)C[C@@H]1CC[NH+](CCC(=O)NCc2ccccc2Cl)C1 ZINC000174964741 496185395 /nfs/dbraw/zinc/18/53/95/496185395.db2.gz WOYSLAUCNIHRLF-INIZCTEOSA-N 2 0 351.922 3.010 20 0 FGADRP Cc1ccc2c(c1)[C@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)[C@@H](C)C2 ZINC000180907265 496194538 /nfs/dbraw/zinc/19/45/38/496194538.db2.gz DETPXWLWRCIBSV-HTAPYJJXSA-N 2 0 365.521 3.310 20 0 FGADRP C[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CCc4cc(Cl)ccc43)cn2)CC1 ZINC000177827702 496212705 /nfs/dbraw/zinc/21/27/05/496212705.db2.gz MAMOWIGQZYIUGK-LJQANCHMSA-N 2 0 356.901 3.264 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)NCCC[NH+]2CCCCC2)C1 ZINC000172220694 496214559 /nfs/dbraw/zinc/21/45/59/496214559.db2.gz IGICMKPWJFRZLM-UXHICEINSA-N 2 0 364.578 3.158 20 0 FGADRP CC1CC[NH+](C2CCC(NC(=O)N(C)[C@H]3CC[N@H+](C)[C@H](C)C3)CC2)CC1 ZINC000152681868 496225385 /nfs/dbraw/zinc/22/53/85/496225385.db2.gz UVSZMWGZJIXJGP-OAHAVBBTSA-N 2 0 364.578 3.154 20 0 FGADRP C[NH+](C)CC1CCC([NH2+]C[C@@H](O)COc2ccc(C(C)(C)C)cc2)CC1 ZINC000574684652 505831484 /nfs/dbraw/zinc/83/14/84/505831484.db2.gz QEUUQCNZERSMPT-LYBXBRPPSA-N 2 0 362.558 3.434 20 0 FGADRP COc1ccc2oc(C[NH2+]Cc3ccccc3C[N@@H+]3CC[C@@H](O)C3)cc2c1 ZINC000180993494 496233330 /nfs/dbraw/zinc/23/33/30/496233330.db2.gz HEVJJTNBTRUSLU-LJQANCHMSA-N 2 0 366.461 3.298 20 0 FGADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]C[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000152749708 496245400 /nfs/dbraw/zinc/24/54/00/496245400.db2.gz BFGZHXIXCFVAOI-VKJFTORMSA-N 2 0 366.347 3.205 20 0 FGADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)NC2CCC([NH+]3CCC(C)CC3)CC2)C1 ZINC000152768758 496251065 /nfs/dbraw/zinc/25/10/65/496251065.db2.gz MJEKUBJXWNCPDQ-HDYDNRTBSA-N 2 0 364.578 3.013 20 0 FGADRP O=C(CCC1CC[NH2+]CC1)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000574689502 505832651 /nfs/dbraw/zinc/83/26/51/505832651.db2.gz KBHWABLHBSJDLN-FGZHOGPDSA-N 2 0 369.553 3.279 20 0 FGADRP C[C@H]1CCC[N@@H+]1C1CCN(C(=O)[C@@H]2CCC[NH+]2Cc2ccccc2)CC1 ZINC000152881435 496284860 /nfs/dbraw/zinc/28/48/60/496284860.db2.gz APFUNKPAYDRSJE-RXVVDRJESA-N 2 0 355.526 3.126 20 0 FGADRP CC(C)[NH+]1CCC(NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000175303482 496330517 /nfs/dbraw/zinc/33/05/17/496330517.db2.gz VBGDDDSDUMFXMN-NQIIRXRSSA-N 2 0 372.557 3.212 20 0 FGADRP COc1cc(Br)ccc1CCC[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000184332246 496338810 /nfs/dbraw/zinc/33/88/10/496338810.db2.gz XXMGRLAQKGGINR-BBRMVZONSA-N 2 0 355.320 3.463 20 0 FGADRP C[C@@H](CC1CCCC1)[NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000156831378 496343182 /nfs/dbraw/zinc/34/31/82/496343182.db2.gz MLJTVGNEVXRXQX-UWJYYQICSA-N 2 0 357.542 3.442 20 0 FGADRP C[C@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000162384985 496346897 /nfs/dbraw/zinc/34/68/97/496346897.db2.gz JVJACXDRWUKBBQ-LPHOPBHVSA-N 2 0 361.555 3.342 20 0 FGADRP C[C@@H]1CCC[N@H+](CCNC(=O)N[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000175374734 496363172 /nfs/dbraw/zinc/36/31/72/496363172.db2.gz TVOQUUCESQAKBT-SFHLNBCPSA-N 2 0 372.557 3.071 20 0 FGADRP Cc1cccc(N2CC[NH+](CCC(=O)Nc3ccc([C@H](C)[NH3+])cc3)CC2)c1 ZINC000178238399 496381980 /nfs/dbraw/zinc/38/19/80/496381980.db2.gz CVXQFOIMRBCZPY-SFHVURJKSA-N 2 0 366.509 3.166 20 0 FGADRP C[C@H](CC(=O)Nc1cccnc1Cl)[NH2+]CC[C@@H](C)[NH+]1CCCCC1 ZINC000184508930 496416689 /nfs/dbraw/zinc/41/66/89/496416689.db2.gz FLCIECBTSZTYKH-HUUCEWRRSA-N 2 0 352.910 3.306 20 0 FGADRP C[C@H]([NH2+]C1CCN(CC(F)(F)F)CC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000178365050 496428756 /nfs/dbraw/zinc/42/87/56/496428756.db2.gz CBBRYIQDAVUWCQ-HNNXBMFYSA-N 2 0 373.463 3.304 20 0 FGADRP C[C@@H]([NH2+]C[C@H]1CCN(CC(F)(F)F)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000163126894 496470193 /nfs/dbraw/zinc/47/01/93/496470193.db2.gz AUDFKFDGRFFGOZ-HZPDHXFCSA-N 2 0 373.463 3.162 20 0 FGADRP CC[NH+](CC)[C@@H]1CCN(C(=O)NCC[C@@H](C)[N@H+](C)Cc2ccccc2)C1 ZINC000175632509 496473828 /nfs/dbraw/zinc/47/38/28/496473828.db2.gz WLMYGMWRUGDVRR-UYAOXDASSA-N 2 0 360.546 3.023 20 0 FGADRP C[C@H](CCNC(=O)N1CCC[C@H]1C[NH+]1CCCC1)[N@H+](C)Cc1ccccc1 ZINC000175631485 496474250 /nfs/dbraw/zinc/47/42/50/496474250.db2.gz OOWSRDOBLLZGHY-CTNGQTDRSA-N 2 0 372.557 3.167 20 0 FGADRP C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000181629594 496476171 /nfs/dbraw/zinc/47/61/71/496476171.db2.gz BPRQGRPNHCLXMJ-DWLFOUALSA-N 2 0 369.553 3.420 20 0 FGADRP CC1(C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)CC[NH+](Cc2ccccc2)CC1 ZINC000163292956 496494337 /nfs/dbraw/zinc/49/43/37/496494337.db2.gz NQBOJLCZAOWJMW-FQEVSTJZSA-N 2 0 369.553 3.422 20 0 FGADRP CCOc1cccc2cc([C@H](C)[NH2+]C[C@H](C)CN3CC[NH+](C)CC3)oc21 ZINC000181689711 496503614 /nfs/dbraw/zinc/50/36/14/496503614.db2.gz HIEKILCHFHRJIY-IRXDYDNUSA-N 2 0 359.514 3.366 20 0 FGADRP CC[C@@H]([NH2+]CCCC[NH+]1CCN(Cc2ccccc2)CC1)c1cnn(C)c1 ZINC000163927335 496570497 /nfs/dbraw/zinc/57/04/97/496570497.db2.gz LHYKLQQXQSBNDK-JOCHJYFZSA-N 2 0 369.557 3.059 20 0 FGADRP C[C@H]([NH2+]CCCC[N@@H+]1CCCC[C@H]1C)c1ccc(NS(C)(=O)=O)cc1 ZINC000157871125 496575181 /nfs/dbraw/zinc/57/51/81/496575181.db2.gz UQXPFHWQEXJQJQ-SJORKVTESA-N 2 0 367.559 3.363 20 0 FGADRP Cc1nccnc1[C@@H](C)[NH2+]CCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000187794111 496575269 /nfs/dbraw/zinc/57/52/69/496575269.db2.gz AQYQDJRSRIWOOY-LJQANCHMSA-N 2 0 367.541 3.034 20 0 FGADRP [NH3+][C@@H](CC(=O)NCC1CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000178817845 496583203 /nfs/dbraw/zinc/58/32/03/496583203.db2.gz VSYBWZGTDGFOTE-NRFANRHFSA-N 2 0 351.494 3.105 20 0 FGADRP O=C([C@H]1CCCCC[NH2+]1)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000578071320 505854769 /nfs/dbraw/zinc/85/47/69/505854769.db2.gz POANMHIZXAVGKY-HXUWFJFHSA-N 2 0 355.526 3.033 20 0 FGADRP C[C@H](c1ccc(Br)cc1)N1CC[NH+](CC2CC[NH2+]CC2)CC1 ZINC000178981947 496635154 /nfs/dbraw/zinc/63/51/54/496635154.db2.gz QTAJEHAHOHIPHX-OAHLLOKOSA-N 2 0 366.347 3.127 20 0 FGADRP CSc1ccc([C@H](C)[NH2+]Cc2cccnc2N2CC[NH+](C)CC2)cc1 ZINC000173356972 496657111 /nfs/dbraw/zinc/65/71/11/496657111.db2.gz ARYMZJZXXOLXJI-INIZCTEOSA-N 2 0 356.539 3.406 20 0 FGADRP CC[C@@H](C(=O)N1CCC([NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1)c1ccccc1 ZINC000166415047 496686023 /nfs/dbraw/zinc/68/60/23/496686023.db2.gz LRJUBHXYLGRACW-BHDDXSALSA-N 2 0 369.553 3.388 20 0 FGADRP COc1cc(Cl)c(C)cc1NC(=O)CC[NH2+][C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000158401186 496693867 /nfs/dbraw/zinc/69/38/67/496693867.db2.gz NZYDGJXZWLMFEH-ZIAGYGMSSA-N 2 0 365.905 3.200 20 0 FGADRP [NH3+][C@H]1CCO[C@H](C2CC[NH+](CCCOc3ccc(Cl)cc3)CC2)C1 ZINC000580883936 505860822 /nfs/dbraw/zinc/86/08/22/505860822.db2.gz KPCDUIRUEOFKCF-HKUYNNGSSA-N 2 0 352.906 3.327 20 0 FGADRP CC(C)O[C@H]1C[C@H]([NH2+]CC2(N3CCCCC3)CC[NH+](C)CC2)C1(C)C ZINC000185231702 496712228 /nfs/dbraw/zinc/71/22/28/496712228.db2.gz UECNWTYHAVJRHP-OALUTQOASA-N 2 0 351.579 3.118 20 0 FGADRP C[NH+]1CCN(c2ncccc2C[NH2+][C@H]2CCCCc3ccccc32)CC1 ZINC000158514009 496716849 /nfs/dbraw/zinc/71/68/49/496716849.db2.gz MBJWNOFWIDUOMG-NRFANRHFSA-N 2 0 350.510 3.391 20 0 FGADRP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO)c1ccc2c(c1)CCO2 ZINC000182244258 496718558 /nfs/dbraw/zinc/71/85/58/496718558.db2.gz NXSQELRPJYMLDP-VGOFRKELSA-N 2 0 366.505 3.429 20 0 FGADRP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO)c1ccc2c(c1)CCO2 ZINC000182244240 496718589 /nfs/dbraw/zinc/71/85/89/496718589.db2.gz NXSQELRPJYMLDP-HTAPYJJXSA-N 2 0 366.505 3.429 20 0 FGADRP CC(C)CO[C@@H]1C[C@H]([NH2+]Cc2ccccc2C[N@@H+]2CC[C@H](O)C2)C1(C)C ZINC000182258531 496721583 /nfs/dbraw/zinc/72/15/83/496721583.db2.gz GKMHBVQJGOYVIM-PCCBWWKXSA-N 2 0 360.542 3.183 20 0 FGADRP COc1ccc2c(c1)[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)CC2 ZINC000182257757 496721761 /nfs/dbraw/zinc/72/17/61/496721761.db2.gz YCYINRHXEIOXJY-UGKGYDQZSA-N 2 0 352.478 3.039 20 0 FGADRP CC[C@@H]([NH2+]CCCC[NH+]1CCN(c2cccc(C)c2)CC1)c1nccn1C ZINC000182286440 496726646 /nfs/dbraw/zinc/72/66/46/496726646.db2.gz ZWMCVJIEGYWULH-OAQYLSRUSA-N 2 0 369.557 3.372 20 0 FGADRP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](CCCOCc2ccccc2)CC1 ZINC000182296496 496727579 /nfs/dbraw/zinc/72/75/79/496727579.db2.gz SISIBORJMFXIJB-NHCUHLMSSA-N 2 0 359.558 3.084 20 0 FGADRP C[NH+](C)Cc1ccc(-c2ccccc2C[NH2+][C@H]2CCCS(=O)(=O)C2)cc1 ZINC000182331271 496730091 /nfs/dbraw/zinc/73/00/91/496730091.db2.gz SIBCQRBOMPQGKM-FQEVSTJZSA-N 2 0 372.534 3.082 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C[C@@H](O)COCc2cccs2)C1 ZINC000246993820 496746009 /nfs/dbraw/zinc/74/60/09/496746009.db2.gz OJWXLTDPNLAXIS-CEXWTWQISA-N 2 0 366.571 3.212 20 0 FGADRP C[NH+](C)[C@@H]1CCC[N@H+](CCC(=O)Nc2ccccc2C(F)(F)F)CC1 ZINC000277401907 496760952 /nfs/dbraw/zinc/76/09/52/496760952.db2.gz ZODASWHDMMFHJK-CQSZACIVSA-N 2 0 357.420 3.450 20 0 FGADRP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)CC1 ZINC000247077603 496771890 /nfs/dbraw/zinc/77/18/90/496771890.db2.gz XKGPYQXXPHNIQX-QKLQHJQFSA-N 2 0 370.541 3.136 20 0 FGADRP CC[S@](=O)[C@@H]1CCC[C@H]([NH2+][C@H](C)c2ccc(OCC[NH+](C)C)cc2)C1 ZINC000247100464 496778597 /nfs/dbraw/zinc/77/85/97/496778597.db2.gz OOPWEFKEQGJZKG-VNVACVKESA-N 2 0 366.571 3.357 20 0 FGADRP COc1ccccc1[C@H](O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000268767939 496780481 /nfs/dbraw/zinc/78/04/81/496780481.db2.gz COFXEWPKBHMVES-DZFGPLHGSA-N 2 0 354.494 3.229 20 0 FGADRP CC(C)[NH+]1CCN(CCC[NH+]2CCC(Oc3ccc(F)cc3)CC2)CC1 ZINC000191496510 496783056 /nfs/dbraw/zinc/78/30/56/496783056.db2.gz ZHHAULFRFFRGOQ-UHFFFAOYSA-N 2 0 363.521 3.085 20 0 FGADRP CCc1nc(C)c([C@@H](C)[N@H+](C)CCCN2CC[NH+](C(C)C)CC2)s1 ZINC000191509121 496790360 /nfs/dbraw/zinc/79/03/60/496790360.db2.gz OUOSFTVUPYIJQY-QGZVFWFLSA-N 2 0 352.592 3.423 20 0 FGADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](c2ccccc2Cl)N2CCOCC2)[C@H](C)C1 ZINC000247183463 496800566 /nfs/dbraw/zinc/80/05/66/496800566.db2.gz VITAXXJTAYUQAW-LSTHTHJFSA-N 2 0 365.949 3.033 20 0 FGADRP CC(C)C[C@H]([NH2+][C@@H]1CCCc2c3ccccc3[nH]c21)C(=O)NCC[NH+](C)C ZINC000569166737 505867132 /nfs/dbraw/zinc/86/71/32/505867132.db2.gz HTTPRTCXJICKFH-UXHICEINSA-N 2 0 370.541 3.227 20 0 FGADRP Cc1ccccc1C[C@H](CO)[NH2+][C@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000191564353 496813646 /nfs/dbraw/zinc/81/36/46/496813646.db2.gz FXVHZOPWDVHASO-WIYYLYMNSA-N 2 0 356.510 3.190 20 0 FGADRP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000247353387 496842981 /nfs/dbraw/zinc/84/29/81/496842981.db2.gz LQSURGKQWZSVJM-WIYYLYMNSA-N 2 0 372.557 3.194 20 0 FGADRP CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+]C2CC[NH+](C3CCC3)CC2)cc1 ZINC000269056281 496860660 /nfs/dbraw/zinc/86/06/60/496860660.db2.gz WUVAGZIPOKRRBW-OAHLLOKOSA-N 2 0 365.543 3.116 20 0 FGADRP CC[NH+]1CCN(c2ccccc2NC(=O)[C@@H](C)[C@@H]([NH3+])c2ccccc2)CC1 ZINC000269245970 496903904 /nfs/dbraw/zinc/90/39/04/496903904.db2.gz DKKSRLHFLNBJQO-LAUBAEHRSA-N 2 0 366.509 3.103 20 0 FGADRP C[N@@H+]1CCC[C@@H]2C[NH+](C[C@@H](O)COc3ccc(Cl)cc3Cl)CC[C@@H]21 ZINC000248025640 496943962 /nfs/dbraw/zinc/94/39/62/496943962.db2.gz OTIRCGFGLOGVFS-UNEWFSDZSA-N 2 0 373.324 3.149 20 0 FGADRP CCOc1ccccc1[C@H](CC)NC(=O)CN1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000248139556 496961537 /nfs/dbraw/zinc/96/15/37/496961537.db2.gz PMWDNZYMXRGZGT-YSIASYRMSA-N 2 0 373.541 3.069 20 0 FGADRP CCc1ccccc1C[NH+]1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000189027004 496982097 /nfs/dbraw/zinc/98/20/97/496982097.db2.gz RFHNYGOBWCVOLR-UHFFFAOYSA-N 2 0 359.558 3.165 20 0 FGADRP C[C@H](c1ccccc1)N1CC[C@H]([NH2+]CCN2CCc3ccccc3C2=O)C1 ZINC000189054636 496993298 /nfs/dbraw/zinc/99/32/98/496993298.db2.gz XAOCMOUHMUFZNA-NQIIRXRSSA-N 2 0 363.505 3.110 20 0 FGADRP C[C@@H](CCNC(=O)NCCCC[N@@H+]1CCCC[C@@H]1C)[NH+]1CCCCC1 ZINC000248429612 497009176 /nfs/dbraw/zinc/00/91/76/497009176.db2.gz AHFGJIALPXGYND-OALUTQOASA-N 2 0 352.567 3.205 20 0 FGADRP C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)C[C@H]1CC2(CCC2)C(=O)O1 ZINC000192143486 497010970 /nfs/dbraw/zinc/01/09/70/497010970.db2.gz MLJFUNYPXWUIGN-LJQANCHMSA-N 2 0 357.498 3.106 20 0 FGADRP O[C@H](CCc1ccccc1)C[NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000569212898 505879360 /nfs/dbraw/zinc/87/93/60/505879360.db2.gz YYCNXKNWXVEVAL-XZOQPEGZSA-N 2 0 352.522 3.134 20 0 FGADRP OC[C@@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000248442764 497013081 /nfs/dbraw/zinc/01/30/81/497013081.db2.gz LBQGOBCCJWYXJT-KJJMTIBFSA-N 2 0 370.537 3.081 20 0 FGADRP CCO[C@@H]1C[C@H]([NH2+]Cc2ccccc2C[N@@H+]2CC[C@@H](O)C2)C12CCCC2 ZINC000248459070 497018725 /nfs/dbraw/zinc/01/87/25/497018725.db2.gz VJMVUIVUKALUPW-QHAWAJNXSA-N 2 0 358.526 3.081 20 0 FGADRP COc1ccc(OC)c([C@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CC[C@@H](O)C2)c1 ZINC000248459044 497019003 /nfs/dbraw/zinc/01/90/03/497019003.db2.gz VHWWHPVRSBWOKM-QFBILLFUSA-N 2 0 370.493 3.121 20 0 FGADRP Clc1cc(C[NH2+]CCCC[NH+]2CCOCC2)ccc1Br ZINC000192165985 497020859 /nfs/dbraw/zinc/02/08/59/497020859.db2.gz JXWUQBIFPCUCAK-UHFFFAOYSA-N 2 0 361.711 3.305 20 0 FGADRP C[C@H](c1cccc2ccccc21)[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000574917382 505882502 /nfs/dbraw/zinc/88/25/02/505882502.db2.gz UWDUZZVGBIDOET-JBYIUTFZSA-N 2 0 365.521 3.481 20 0 FGADRP Cc1cc([C@@H](C)[NH2+]Cc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)c(C)o1 ZINC000278372967 497092997 /nfs/dbraw/zinc/09/29/97/497092997.db2.gz CJBJKTASECHUMM-OXQOHEQNSA-N 2 0 369.509 3.445 20 0 FGADRP COc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CN(CC(C)C)CCO1)CCS2 ZINC000248835970 497113621 /nfs/dbraw/zinc/11/36/21/497113621.db2.gz MIVANMHWVJZXIV-AEFFLSMTSA-N 2 0 350.528 3.179 20 0 FGADRP C[C@@H]([NH2+]C[C@H](C)CN1CC[NH+](C)CC1)c1cc(Cl)c(N)c(Cl)c1 ZINC000270431753 497126783 /nfs/dbraw/zinc/12/67/83/497126783.db2.gz IFLATZPLAUENFA-QWHCGFSZSA-N 2 0 359.345 3.110 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(-n3ccnc3)cc2C)[C@@H](C)C1 ZINC000248892343 497128499 /nfs/dbraw/zinc/12/84/99/497128499.db2.gz SGOSEKVBRZWKIX-UGKGYDQZSA-N 2 0 370.541 3.407 20 0 FGADRP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@@](C)([NH3+])c2ccccc2)CC1 ZINC000192529563 497141516 /nfs/dbraw/zinc/14/15/16/497141516.db2.gz FZYGUURJXPNFTG-JTSKRJEESA-N 2 0 351.494 3.202 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)C[C@@H]([NH3+])c1ccccc1)Cc1ccccc1 ZINC000236877135 497161328 /nfs/dbraw/zinc/16/13/28/497161328.db2.gz GNXHXUCNGVTTCG-LEWJYISDSA-N 2 0 353.510 3.146 20 0 FGADRP CC(C)OCCN1CCC([NH2+][C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000274885463 497190371 /nfs/dbraw/zinc/19/03/71/497190371.db2.gz IIVNBYUVVROVBC-UNMCSNQZSA-N 2 0 373.585 3.376 20 0 FGADRP CC(C)[NH+]1CCN(CCC[N@H+](C[C@@H]2CCCO2)C2CCC(C)CC2)CC1 ZINC000192747028 497202321 /nfs/dbraw/zinc/20/23/21/497202321.db2.gz WROFAIVQTOISCH-HRTMPFAESA-N 2 0 365.606 3.462 20 0 FGADRP C[NH+](C)[C@@H]1CCN(c2ccc(NCc3ncc(C(F)(F)F)s3)nc2)C1 ZINC000278758156 497210639 /nfs/dbraw/zinc/21/06/39/497210639.db2.gz MXATYZGZABFFPS-GFCCVEGCSA-N 2 0 371.432 3.309 20 0 FGADRP CC(C)[NH+]1CCN(CCC[NH2+][C@@H](C)c2ccc(OC(F)F)cc2)CC1 ZINC000192786367 497213857 /nfs/dbraw/zinc/21/38/57/497213857.db2.gz VCBOPEUNXXSIPD-INIZCTEOSA-N 2 0 355.473 3.355 20 0 FGADRP COc1ccc([C@H](CNC(=O)C2([NH3+])CCCCC2)[NH+]2CCCCC2)cc1 ZINC000237323666 497219904 /nfs/dbraw/zinc/21/99/04/497219904.db2.gz OFBSWOWHJZHMKK-IBGZPJMESA-N 2 0 359.514 3.000 20 0 FGADRP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000270921298 497226131 /nfs/dbraw/zinc/22/61/31/497226131.db2.gz JXEPNGSBPCIKMT-SFHVURJKSA-N 2 0 357.542 3.087 20 0 FGADRP CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)C1CC[NH+](C2CC2)CC1 ZINC000192842049 497227695 /nfs/dbraw/zinc/22/76/95/497227695.db2.gz SWWWKRPNUDHESD-OAQYLSRUSA-N 2 0 357.542 3.134 20 0 FGADRP C[C@H](C(=O)N(C)[C@H]1CCC[N@H+](Cc2ccccc2)C1)[C@@H]([NH3+])c1ccccc1 ZINC000237399902 497231320 /nfs/dbraw/zinc/23/13/20/497231320.db2.gz TTWCDKHHJYCGTR-YUXAGFNASA-N 2 0 365.521 3.446 20 0 FGADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)[C@@H](C[NH3+])c2ccccc2)cc1 ZINC000237524326 497250279 /nfs/dbraw/zinc/25/02/79/497250279.db2.gz NFDLILWUAAVMQZ-AVRDEDQJSA-N 2 0 365.521 3.420 20 0 FGADRP C[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)Oc1ccccc1Br ZINC000192931558 497250450 /nfs/dbraw/zinc/25/04/50/497250450.db2.gz AQQJOVHFKJTNAV-AVOUXACISA-N 2 0 353.304 3.431 20 0 FGADRP COc1ccc(C[NH+]2CCN(CC[NH+]3CCCC3)CC2)c2ccccc12 ZINC000192936055 497252680 /nfs/dbraw/zinc/25/26/80/497252680.db2.gz VTZMVTMBVKMBHP-UHFFFAOYSA-N 2 0 353.510 3.062 20 0 FGADRP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[C@H]([NH3+])c1ccccc1 ZINC000237563797 497255887 /nfs/dbraw/zinc/25/58/87/497255887.db2.gz ANRVFWHFLAUPDT-UWJYYQICSA-N 2 0 351.494 3.103 20 0 FGADRP C[C@H](CC(=O)Nc1ccc2ccn(CC[NH+](C)C)c2c1)C1CC[NH2+]CC1 ZINC000237569584 497256749 /nfs/dbraw/zinc/25/67/49/497256749.db2.gz AJJVOHGFACMZLQ-MRXNPFEDSA-N 2 0 356.514 3.167 20 0 FGADRP C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)CCC2CC[NH2+]CC2)C1 ZINC000237671513 497273551 /nfs/dbraw/zinc/27/35/51/497273551.db2.gz KGPKPEVRWLDALT-SFHVURJKSA-N 2 0 357.542 3.315 20 0 FGADRP COc1ccc([C@@H](C[NH3+])C[NH+]2CCC(c3c[nH]c4ncccc34)CC2)cc1 ZINC000572124367 505896561 /nfs/dbraw/zinc/89/65/61/505896561.db2.gz SNAVCOWVTCAKDV-SFHVURJKSA-N 2 0 364.493 3.493 20 0 FGADRP CCN(CCC[NH+](C)C)C(=O)NC1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC000189937086 497299032 /nfs/dbraw/zinc/29/90/32/497299032.db2.gz NCPIWKNZNDPDCS-RTBURBONSA-N 2 0 374.573 3.126 20 0 FGADRP O=C(CCC1CC[NH2+]CC1)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000237879888 497307102 /nfs/dbraw/zinc/30/71/02/497307102.db2.gz HSUCXUDRJHYPFX-IBGZPJMESA-N 2 0 363.933 3.373 20 0 FGADRP C[C@H](NC(=O)N(C)CC1([NH+](C)C)CCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000275392076 497311496 /nfs/dbraw/zinc/31/14/96/497311496.db2.gz COSIKWBHCREUHU-ICSRJNTNSA-N 2 0 372.557 3.023 20 0 FGADRP [NH3+][C@H](CCC(=O)NC1CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000237914352 497313846 /nfs/dbraw/zinc/31/38/46/497313846.db2.gz NOYPZIZQLNJESP-OAQYLSRUSA-N 2 0 351.494 3.247 20 0 FGADRP O=C(Nc1ccc(CC[NH+]2CCCCC2)cc1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000266442496 497342860 /nfs/dbraw/zinc/34/28/60/497342860.db2.gz PCKYXEQAFMDPMV-NRFANRHFSA-N 2 0 368.525 3.193 20 0 FGADRP C[NH+](C)CCc1ccccc1NC(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000275701090 497407851 /nfs/dbraw/zinc/40/78/51/497407851.db2.gz SSEDAOWZPODDLM-SFHVURJKSA-N 2 0 358.530 3.130 20 0 FGADRP C[NH+](C)CCc1ccccc1NC(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000275702921 497407973 /nfs/dbraw/zinc/40/79/73/497407973.db2.gz SYVQHEKSDTXKLO-GOSISDBHSA-N 2 0 360.527 3.277 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)CC[C@H]1CC[NH2+]C1)c1ccccc1Cl ZINC000261788478 497451542 /nfs/dbraw/zinc/45/15/42/497451542.db2.gz KDKDTHPTMXKRFB-YJBOKZPZSA-N 2 0 351.922 3.229 20 0 FGADRP CN(c1ccccc1CN1CCC[C@H]1C[NH+]1CCCC1)C1CC[NH+](C)CC1 ZINC000245559702 497457204 /nfs/dbraw/zinc/45/72/04/497457204.db2.gz MCJYFTNPKOPVSX-QFIPXVFZSA-N 2 0 370.585 3.277 20 0 FGADRP CC[NH+](CC)CCOc1ccc(C[NH2+][C@@H]2CCO[C@@H](C)C2)cc1OC ZINC000271828089 497462864 /nfs/dbraw/zinc/46/28/64/497462864.db2.gz IRBQXXXPSGGNJQ-FUHWJXTLSA-N 2 0 350.503 3.073 20 0 FGADRP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000245668824 497495937 /nfs/dbraw/zinc/49/59/37/497495937.db2.gz FCTXJPYNMWFTFH-QYZOEREBSA-N 2 0 374.529 3.075 20 0 FGADRP CC[NH+]1CCN(CCC[NH2+][C@@H](C)c2cc(Br)cs2)CC1 ZINC000193971324 497535990 /nfs/dbraw/zinc/53/59/90/497535990.db2.gz PHHDAFWHLVMFTO-ZDUSSCGKSA-N 2 0 360.365 3.189 20 0 FGADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H](C)c2cc(Br)cs2)CC1 ZINC000193972765 497536347 /nfs/dbraw/zinc/53/63/47/497536347.db2.gz ZOFODQBOPOIJNI-QWHCGFSZSA-N 2 0 360.365 3.187 20 0 FGADRP C[C@@H]1C[N@@H+](Cc2ccccc2C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCC3)C[C@H](C)O1 ZINC000194002206 497545182 /nfs/dbraw/zinc/54/51/82/497545182.db2.gz QYRUXWJFDDHRIH-MPMRWZLSSA-N 2 0 370.537 3.343 20 0 FGADRP CCc1nc2ccccc2n1C1CCN(C(=O)[C@@H](C)[NH+]2CC(C)C2)CC1 ZINC000569353002 505915589 /nfs/dbraw/zinc/91/55/89/505915589.db2.gz KBSJZZIYMTVJPP-MRXNPFEDSA-N 2 0 354.498 3.102 20 0 FGADRP C[C@@H]1CCC[C@](CNC(=O)NC2CC[NH+](C(C)(C)C)CC2)([NH+](C)C)C1 ZINC000194160177 497590669 /nfs/dbraw/zinc/59/06/69/497590669.db2.gz COQKVZJBWDUGHK-UZLBHIALSA-N 2 0 352.567 3.059 20 0 FGADRP C[C@H](CC(=O)N(C)[C@H]1CCC[N@H+](Cc2ccccc2)C1)[C@H]1CCC[NH2+]C1 ZINC000262668627 497596120 /nfs/dbraw/zinc/59/61/20/497596120.db2.gz QRTPNLOPWCHXCQ-GIVPXCGWSA-N 2 0 357.542 3.135 20 0 FGADRP CC[NH+]1CCN(c2ccccc2NC(=O)CC2(C[NH3+])CCCCC2)CC1 ZINC000262681195 497599097 /nfs/dbraw/zinc/59/90/97/497599097.db2.gz SRABMYAVTLLDTA-UHFFFAOYSA-N 2 0 358.530 3.066 20 0 FGADRP CC(C)N(C)c1ccc(C[NH2+]Cc2cccc(OCC[NH+](C)C)c2)cn1 ZINC000190785746 497603190 /nfs/dbraw/zinc/60/31/90/497603190.db2.gz CHCIJRZTFRMSCP-UHFFFAOYSA-N 2 0 356.514 3.156 20 0 FGADRP C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)C2CC[NH+](C3CC3)CC2)C1 ZINC000194270076 497619514 /nfs/dbraw/zinc/61/95/14/497619514.db2.gz YAWNDRFBRCWDJO-GOSISDBHSA-N 2 0 369.553 3.409 20 0 FGADRP C[NH+](C)CCOc1cc(C[NH2+]Cc2ccc(OCC3CC3)cc2)ccn1 ZINC000276666443 497624548 /nfs/dbraw/zinc/62/45/48/497624548.db2.gz XQAUJQSVLJGUSV-UHFFFAOYSA-N 2 0 355.482 3.101 20 0 FGADRP C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)[C@@](C)([NH3+])c3ccccc3)cc2)C1 ZINC000262851587 497637687 /nfs/dbraw/zinc/63/76/87/497637687.db2.gz KDBVEYOSGONOHG-JPYJTQIMSA-N 2 0 365.521 3.409 20 0 FGADRP C[C@H](NC(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1)C(C)(C)C[NH+](C)C ZINC000246159787 497641967 /nfs/dbraw/zinc/64/19/67/497641967.db2.gz DWANTWZCNXRCPY-CEXWTWQISA-N 2 0 366.594 3.259 20 0 FGADRP CCc1ccc([C@H](C)NC(=O)[C@H](C)N2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000246222617 497666791 /nfs/dbraw/zinc/66/67/91/497666791.db2.gz QXWAXUDIBQJUMI-BJLQDIEVSA-N 2 0 357.542 3.232 20 0 FGADRP [NH3+][C@H](CC(=O)N(Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2)c1ccccc1 ZINC000262966948 497668361 /nfs/dbraw/zinc/66/83/61/497668361.db2.gz REBSSZFJPNTBRJ-RTBURBONSA-N 2 0 369.534 3.309 20 0 FGADRP C[C@H]([NH2+]Cc1cccc(C(=O)N(C)C)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272586059 497670717 /nfs/dbraw/zinc/67/07/17/497670717.db2.gz WSBJXCRWSOTLPH-PGRDOPGGSA-N 2 0 365.521 3.389 20 0 FGADRP C[NH+](C)Cc1ccsc1C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000268068547 497672854 /nfs/dbraw/zinc/67/28/54/497672854.db2.gz BSSMQMGJHPSQMF-UHFFFAOYSA-N 2 0 371.550 3.247 20 0 FGADRP CC[NH+](CC)Cc1cccc(CNC(=O)N(C)[C@@H]2CC[N@H+](C)C[C@H]2C)c1 ZINC000246276611 497681522 /nfs/dbraw/zinc/68/15/22/497681522.db2.gz JPYVRMBXEULFBP-YLJYHZDGSA-N 2 0 360.546 3.010 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)NCCC[NH+]2CCCCC2)C1 ZINC000246333311 497698202 /nfs/dbraw/zinc/69/82/02/497698202.db2.gz IGICMKPWJFRZLM-WOJBJXKFSA-N 2 0 364.578 3.158 20 0 FGADRP C[C@@H]1C[C@@H](NC(=O)c2sccc2CN(C)C)C[N@@H+]1Cc1ccccc1 ZINC000268224076 497704781 /nfs/dbraw/zinc/70/47/81/497704781.db2.gz QZECDHRFPNVMJN-CRAIPNDOSA-N 2 0 357.523 3.203 20 0 FGADRP O[C@H]1CC[N@H+](Cc2ccccc2C[NH2+][C@H]2CCc3c2c(F)ccc3F)C1 ZINC000272734433 497716114 /nfs/dbraw/zinc/71/61/14/497716114.db2.gz BATGVPYQWLZJAN-JXFKEZNVSA-N 2 0 358.432 3.309 20 0 FGADRP COc1ccc(-c2n[nH]cc2C[N@@H+]2CC[C@H](C)[C@H](n3ccnc3)C2)cc1 ZINC000246446437 497737191 /nfs/dbraw/zinc/73/71/91/497737191.db2.gz NPDAFYNOUCMIPQ-HNAYVOBHSA-N 2 0 351.454 3.365 20 0 FGADRP C[C@H](C(=O)Nc1ccccc1)[NH+]1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000246496102 497753377 /nfs/dbraw/zinc/75/33/77/497753377.db2.gz YVIRHWMHJLYMJE-CEXWTWQISA-N 2 0 373.541 3.225 20 0 FGADRP C[C@@H]1C[NH+](CC2CCN(Cc3ccc(Br)o3)CC2)C[C@@H](C)O1 ZINC000191280372 497767109 /nfs/dbraw/zinc/76/71/09/497767109.db2.gz QFBKXUKQCXEUAV-ZIAGYGMSSA-N 2 0 371.319 3.363 20 0 FGADRP C[C@H](OC[C@H](O)C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1)c1ccc(Cl)cc1 ZINC000246870841 497817915 /nfs/dbraw/zinc/81/79/15/497817915.db2.gz JNNJXSVBLAIKHN-ABSDTBQOSA-N 2 0 366.933 3.196 20 0 FGADRP C[C@@H]1C[NH+](Cc2ccc(C[NH2+][C@H]3CCCc4c3cnn4C)cc2)C[C@@H](C)O1 ZINC000246875560 497818319 /nfs/dbraw/zinc/81/83/19/497818319.db2.gz DSKQDIPEWVHARV-LZJOCLMNSA-N 2 0 368.525 3.197 20 0 FGADRP C[C@@H]([NH2+]CCCC[N@@H+]1CCCC[C@@H]1C)c1ccc(S(C)(=O)=O)cc1 ZINC000246900597 497819433 /nfs/dbraw/zinc/81/94/33/497819433.db2.gz FVNMYRJWFJZMAX-DLBZAZTESA-N 2 0 352.544 3.395 20 0 FGADRP C[C@@H]1CC2(C[N@@H+]1CCc1nc(-c3ccc(Cl)cc3)no1)CC[NH2+]CC2 ZINC000578434690 505938739 /nfs/dbraw/zinc/93/87/39/505938739.db2.gz MGSZTIGWJPJIJO-CQSZACIVSA-N 2 0 360.889 3.397 20 0 FGADRP O=C(CC[C@H]1CCC[NH2+]1)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000292140079 497894556 /nfs/dbraw/zinc/89/45/56/497894556.db2.gz SLAJHTPBCNFIMS-GOSISDBHSA-N 2 0 363.933 3.200 20 0 FGADRP Cc1cccc(N2CC[NH+](CCCC[NH2+][C@H]3C[C@H](C)n4ccnc43)CC2)c1 ZINC000296186266 497948911 /nfs/dbraw/zinc/94/89/11/497948911.db2.gz YIAFMAOJOXFVRB-FPOVZHCZSA-N 2 0 367.541 3.389 20 0 FGADRP C[C@H]1CN(C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)CC[NH+](C2CCC2)C1 ZINC000292281344 497952573 /nfs/dbraw/zinc/95/25/73/497952573.db2.gz LMRQTBDXHCLHKK-NZQKXSOJSA-N 2 0 371.569 3.084 20 0 FGADRP CCN1CC[NH+](CCCC[NH2+][C@H]2CCCc3nc(Cl)ccc32)CC1 ZINC000296204769 497955392 /nfs/dbraw/zinc/95/53/92/497955392.db2.gz ZCPTWUIOOUAFGV-KRWDZBQOSA-N 2 0 350.938 3.120 20 0 FGADRP NC(=O)c1csc(C[NH+]2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)c1 ZINC000364438558 497958342 /nfs/dbraw/zinc/95/83/42/497958342.db2.gz MWSHMGXABKGBIK-UHFFFAOYSA-N 2 0 369.534 3.335 20 0 FGADRP O[C@@H](C[NH2+]C[C@H]1CCCC[N@H+](Cc2ccccc2)C1)Cc1ccccc1 ZINC000578500163 505955759 /nfs/dbraw/zinc/95/57/59/505955759.db2.gz OWLUARAZEXLYLO-DHIUTWEWSA-N 2 0 352.522 3.482 20 0 FGADRP C[C@H]([NH2+]C1(CNC(=O)N2C[C@@H](C[NH3+])C[C@@H]2C)CCCC1)c1ccccc1 ZINC000581299982 505955859 /nfs/dbraw/zinc/95/58/59/505955859.db2.gz YOTOUKIUKOVCSO-OKZBNKHCSA-N 2 0 358.530 3.029 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)[C@@H]([NH3+])c1ccccc1C)c1cccc(OC)c1 ZINC000581307920 505957410 /nfs/dbraw/zinc/95/74/10/505957410.db2.gz LLLPRAYEWCNPFB-RTWAWAEBSA-N 2 0 369.509 3.203 20 0 FGADRP C[NH+](C)Cc1cc(C[NH2+]Cc2ccc(Cl)cc2-n2cncn2)ccc1F ZINC000281043225 497998176 /nfs/dbraw/zinc/99/81/76/497998176.db2.gz ZOADCYDBUQQZLS-UHFFFAOYSA-N 2 0 373.863 3.411 20 0 FGADRP CCN(CC)[C@H](c1nc([C@@H]2CN(C(C)C)CCO2)no1)c1ccccc1 ZINC000285461621 498093674 /nfs/dbraw/zinc/09/36/74/498093674.db2.gz QSHWMNSLPLANLY-ROUUACIJSA-N 2 0 358.486 3.283 20 0 FGADRP c1ccc(CN2CCSC[C@@H]2C[NH2+]C2CC[NH+](CC3CC3)CC2)cc1 ZINC000569651453 505983931 /nfs/dbraw/zinc/98/39/31/505983931.db2.gz YBCTYBOEGQNINP-NRFANRHFSA-N 2 0 359.583 3.068 20 0 FGADRP COc1cc2[nH+]ccc(N3CC[C@H]([NH3+])[C@@H](C)C3)c2cc1Br ZINC000578639819 505987292 /nfs/dbraw/zinc/98/72/92/505987292.db2.gz GNNHJOWARVKSGE-GWCFXTLKSA-N 2 0 350.260 3.179 20 0 FGADRP COc1cc2[nH+]ccc(N3CC[C@@H]([NH3+])[C@H](C)C3)c2cc1Br ZINC000578639825 505987454 /nfs/dbraw/zinc/98/74/54/505987454.db2.gz GNNHJOWARVKSGE-ZWNOBZJWSA-N 2 0 350.260 3.179 20 0 FGADRP CC1CC[NH+]([C@@H](CNC(=O)N[C@@H]2CCCC[C@H]2[NH3+])c2cccs2)CC1 ZINC000578640410 505987638 /nfs/dbraw/zinc/98/76/38/505987638.db2.gz VAAFZTUVJXXSFK-ZACQAIPSSA-N 2 0 364.559 3.090 20 0 FGADRP CC[C@H](CNC(=O)N[C@H]1C[C@@H](C)n2ccnc21)[N@@H+]1CCc2ccccc2C1 ZINC000569665095 505987817 /nfs/dbraw/zinc/98/78/17/505987817.db2.gz CSAQTNPWEIJHKB-LZQZEXGQSA-N 2 0 367.497 3.025 20 0 FGADRP C[C@H](C(=O)Nc1cccc(C(F)(F)F)c1)[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000578652726 505990318 /nfs/dbraw/zinc/99/03/18/505990318.db2.gz VSVGIAKLTFASCA-ILXRZTDVSA-N 2 0 369.431 3.354 20 0 FGADRP C[C@H]([NH2+][C@H]1CCCO[C@@H]1c1nccn1C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000289585691 498204942 /nfs/dbraw/zinc/20/49/42/498204942.db2.gz IFWZCBCZMULQIX-NRDMVMEKSA-N 2 0 368.525 3.140 20 0 FGADRP COc1cc2c(cc1F)CC[C@@H]2[NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000281601301 498208154 /nfs/dbraw/zinc/20/81/54/498208154.db2.gz MGACJARNBYCAKU-UFYCRDLUSA-N 2 0 362.489 3.179 20 0 FGADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)C[NH+]2CCC(C)(C)C2)cc1 ZINC000581522717 506006846 /nfs/dbraw/zinc/00/68/46/506006846.db2.gz ANWMFTMLWPIJED-SFHVURJKSA-N 2 0 357.542 3.409 20 0 FGADRP C[N@H+](CCC(=O)Nc1ccccc1F)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000360675471 498296935 /nfs/dbraw/zinc/29/69/35/498296935.db2.gz WWNYSVVPFYEPAB-UHFFFAOYSA-N 2 0 370.472 3.398 20 0 FGADRP CCC[NH+]1CCC(C[NH2+]C[C@@H](O)CO[C@H]2CCCc3ccccc32)CC1 ZINC000578758886 506013876 /nfs/dbraw/zinc/01/38/76/506013876.db2.gz DFKVZOSUELVTAV-IRLDBZIGSA-N 2 0 360.542 3.153 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+][C@@H]2CC[NH+](C[C@@H]3CCCO3)C[C@H]2C)C1 ZINC000360871160 498317995 /nfs/dbraw/zinc/31/79/95/498317995.db2.gz KTSSBQWHEWWVSC-OQEHDIDLSA-N 3 0 365.606 3.224 20 0 FGADRP CC(C)[NH2+]CCC(=O)Nc1nc2c(s1)CN(Cc1ccccc1)CC2 ZINC000581563932 506016289 /nfs/dbraw/zinc/01/62/89/506016289.db2.gz GKJNLSDVGXJYMS-UHFFFAOYSA-N 2 0 358.511 3.028 20 0 FGADRP O=C1O[C@H](C[N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)CC12CCC2 ZINC000293408974 498375626 /nfs/dbraw/zinc/37/56/26/498375626.db2.gz RWTQVMTZXZETHW-FQEVSTJZSA-N 2 0 368.521 3.460 20 0 FGADRP C[C@@H]([NH2+]Cc1ccc2c(c1)NC(=O)CO2)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000293530254 498404685 /nfs/dbraw/zinc/40/46/85/498404685.db2.gz DTZVPERNIXHUGN-VQIMIIECSA-N 2 0 365.477 3.018 20 0 FGADRP C[C@@H]1C[NH+](CCCC[NH2+]Cc2ccc(-c3cnn(C)c3)s2)C[C@@H](C)O1 ZINC000282252000 498439483 /nfs/dbraw/zinc/43/94/83/498439483.db2.gz MWPXVQUEFMDTKQ-HZPDHXFCSA-N 2 0 362.543 3.128 20 0 FGADRP CC(C)N1CC[C@@H](NC(=O)[C@H](C)[NH2+]C2CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000572718613 506035524 /nfs/dbraw/zinc/03/55/24/506035524.db2.gz MOCCKQHQUMEGDD-RZAIGCCYSA-N 2 0 367.896 3.260 20 0 FGADRP COCCOCc1ccc(C[NH2+]CC2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000290228888 498474036 /nfs/dbraw/zinc/47/40/36/498474036.db2.gz YBGKFSYWOBTWTI-UHFFFAOYSA-N 2 0 369.509 3.251 20 0 FGADRP Cn1cncc1CCC[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000578878551 506043543 /nfs/dbraw/zinc/04/35/43/506043543.db2.gz BIEZNLDLPOOTJI-UHFFFAOYSA-N 2 0 352.526 3.341 20 0 FGADRP COc1ccc([C@@H](C)[NH2+]Cc2ccncc2OCCC[NH+](C)C)cc1OC ZINC000290317730 498506359 /nfs/dbraw/zinc/50/63/59/498506359.db2.gz OBUZIQOQVZLNCU-MRXNPFEDSA-N 2 0 373.497 3.280 20 0 FGADRP C[NH+]1CCC([C@H]2CC[N@H+](Cc3ccc(Cl)cc3-n3cncn3)C2)CC1 ZINC000290328756 498510788 /nfs/dbraw/zinc/51/07/88/498510788.db2.gz DNHHPTRXOJOTFU-INIZCTEOSA-N 2 0 359.905 3.084 20 0 FGADRP CC[NH+](CC)Cc1ccc(C(=O)N2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@H]3C2)cc1 ZINC000365538548 498522169 /nfs/dbraw/zinc/52/21/69/498522169.db2.gz NEHRDZARCPFWFU-ACRUOGEOSA-N 2 0 355.526 3.085 20 0 FGADRP Cc1ccncc1CCC[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000290376349 498528019 /nfs/dbraw/zinc/52/80/19/498528019.db2.gz NRXGQQBGPBVZBG-JOCHJYFZSA-N 2 0 353.510 3.069 20 0 FGADRP c1ccc(C[NH+]2CCC(OCCC[NH2+]C3CCN(C4CC4)CC3)CC2)cc1 ZINC000297714479 498545436 /nfs/dbraw/zinc/54/54/36/498545436.db2.gz RINUMPLFVUIINQ-UHFFFAOYSA-N 2 0 371.569 3.274 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)C[C@H]1CCCC[C@H]1[NH3+])c1cccc(OC)c1 ZINC000581819166 506067741 /nfs/dbraw/zinc/06/77/41/506067741.db2.gz GYYDUJHCOVSSIN-NSISKUIASA-N 2 0 361.530 3.102 20 0 FGADRP COc1ccc(Cn2nc(C)c(C[NH+]3CCC(CC[NH3+])CC3)c2C)cc1 ZINC000581827904 506068592 /nfs/dbraw/zinc/06/85/92/506068592.db2.gz HVAKFHZQQPICLK-UHFFFAOYSA-N 2 0 356.514 3.118 20 0 FGADRP C[C@@H]([NH2+]C1(CNC(=O)N2C[C@@H](C)[C@](C)(C[NH3+])C2)CCCC1)c1ccccc1 ZINC000576092488 506074884 /nfs/dbraw/zinc/07/48/84/506074884.db2.gz ZMUHBLHZOXKGGQ-DBXWQHBBSA-N 2 0 372.557 3.276 20 0 FGADRP c1ccc(CN2CCCO[C@H](C[NH+]3CCC(C[NH+]4CCCC4)CC3)C2)cc1 ZINC000365977443 498718879 /nfs/dbraw/zinc/71/88/79/498718879.db2.gz HDGYQHGXAMQSSM-HSZRJFAPSA-N 2 0 371.569 3.085 20 0 FGADRP Cc1cnn([C@H]2CC[N@@H+](Cc3ccccc3N(C)C3CC[NH+](C)CC3)C2)c1 ZINC000290987826 498746411 /nfs/dbraw/zinc/74/64/11/498746411.db2.gz USVWJPFLBLFAAI-NRFANRHFSA-N 2 0 367.541 3.169 20 0 FGADRP FC(F)(F)COCCC[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000311213782 498749597 /nfs/dbraw/zinc/74/95/97/498749597.db2.gz LYDUMKGPHJPSOR-ZWKOTPCHSA-N 2 0 356.432 3.409 20 0 FGADRP C[C@H](OC[C@@H](O)C[NH2+]C[C@H]1CCCn2ccnc21)c1ccc(Cl)cc1 ZINC000570082193 506086230 /nfs/dbraw/zinc/08/62/30/506086230.db2.gz UHXGBLIRVKXQFC-LESCRADOSA-N 2 0 363.889 3.142 20 0 FGADRP C[C@@H]1C[NH+](CCC2CCN(Cc3cc(F)ncc3F)CC2)C[C@@H](C)O1 ZINC000294667840 498766599 /nfs/dbraw/zinc/76/65/99/498766599.db2.gz CKPXAWDZFPXYLN-HUUCEWRRSA-N 2 0 353.457 3.071 20 0 FGADRP COc1ccc(Cl)cc1C1(C[NH2+][C@H](C)[C@@H]2CCC[NH2+]C2)CCOCC1 ZINC000576146621 506087535 /nfs/dbraw/zinc/08/75/35/506087535.db2.gz XRFUMKMSCKBVMW-HZPDHXFCSA-N 2 0 366.933 3.375 20 0 FGADRP COc1ccc(Cl)cc1C1(C[NH2+][C@@H](C)[C@H]2CCC[NH2+]C2)CCOCC1 ZINC000576146620 506087903 /nfs/dbraw/zinc/08/79/03/506087903.db2.gz XRFUMKMSCKBVMW-HOTGVXAUSA-N 2 0 366.933 3.375 20 0 FGADRP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)CCC(=O)N3CCC[C@H]3C)C2)s1 ZINC000570098753 506089842 /nfs/dbraw/zinc/08/98/42/506089842.db2.gz WKHHPVAJVQXRTB-AEFFLSMTSA-N 2 0 363.571 3.211 20 0 FGADRP C[C@@H]1CN(Cc2ccccc2NC(=O)[C@H]2CCCc3nc[nH]c32)C[C@H](C)O1 ZINC000366181478 498810531 /nfs/dbraw/zinc/81/05/31/498810531.db2.gz JHTFHJWRBGYSTJ-UXLLHSPISA-N 2 0 368.481 3.078 20 0 FGADRP CC[NH+]1CCC(C[NH2+]C[C@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000321584888 498813258 /nfs/dbraw/zinc/81/32/58/498813258.db2.gz PFNKEHMLHFZWEP-AWEZNQCLSA-N 2 0 361.313 3.055 20 0 FGADRP Fc1ccc(N2CC[C@H](C[NH2+]C3CCN(c4cc[nH+]cc4)CC3)C2)cc1 ZINC000298596381 498824201 /nfs/dbraw/zinc/82/42/01/498824201.db2.gz YVJCRRNYIVMLLS-QGZVFWFLSA-N 2 0 354.473 3.306 20 0 FGADRP O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000363498509 498849496 /nfs/dbraw/zinc/84/94/96/498849496.db2.gz ZCMABQJZQCJUPW-HXUWFJFHSA-N 2 0 355.526 3.032 20 0 FGADRP C[NH+](C)CCCOc1cnccc1C[NH2+][C@@H]1CCCc2ccc(O)cc21 ZINC000291244492 498860644 /nfs/dbraw/zinc/86/06/44/498860644.db2.gz OWQNSTUIIATULE-HXUWFJFHSA-N 2 0 355.482 3.285 20 0 FGADRP C[N@@H+]1CC[C@H](CNC(=O)CCCCCC[NH3+])[C@@H]1c1cccc(Cl)c1 ZINC000366324452 498874820 /nfs/dbraw/zinc/87/48/20/498874820.db2.gz AXZPMEWSEVEKRG-APWZRJJASA-N 2 0 351.922 3.358 20 0 FGADRP C[C@H](C(=O)N1CCC(C[NH+]2CCC(C)CC2)CC1)[C@@H]([NH3+])c1ccccc1 ZINC000366336202 498878845 /nfs/dbraw/zinc/87/88/45/498878845.db2.gz ZJPXAHZUMSVAKN-GHTZIAJQSA-N 2 0 357.542 3.293 20 0 FGADRP C[C@@H]([NH2+]Cc1ccc(OCC[NH+](C)C)cc1)c1cccc(-n2ccnn2)c1 ZINC000287844600 498881483 /nfs/dbraw/zinc/88/14/83/498881483.db2.gz WLIXIHZNPINXME-QGZVFWFLSA-N 2 0 365.481 3.059 20 0 FGADRP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N[C@@H]1CCN(C)[C@@H]1c1ccc(Cl)cc1 ZINC000579175854 506109639 /nfs/dbraw/zinc/10/96/39/506109639.db2.gz RDNRXVXFDDIIPH-ZTFGCOKTSA-N 2 0 366.937 3.113 20 0 FGADRP CC[NH+]1CCC(CNC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000579186954 506112576 /nfs/dbraw/zinc/11/25/76/506112576.db2.gz SIPAETYRUJBBDL-GHTZIAJQSA-N 2 0 372.557 3.071 20 0 FGADRP CC(C)[C@H]1OCCC[C@H]1Nc1cc(N2CCC3(CCC[N@@H+]3C)CC2)ncn1 ZINC000333217468 498940624 /nfs/dbraw/zinc/94/06/24/498940624.db2.gz QXNIGIARTYATRN-YLJYHZDGSA-N 2 0 373.545 3.157 20 0 FGADRP C[C@H](NC(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1)[C@@H](c1ccccc1)[NH+](C)C ZINC000288164809 498958910 /nfs/dbraw/zinc/95/89/10/498958910.db2.gz OUBCPAUJMVPIES-ZWOKBUDYSA-N 2 0 360.546 3.050 20 0 FGADRP c1ccc(C[N@@H+]2CCCO[C@@H](CN(Cc3ccncc3)C3CC3)C2)cc1 ZINC000573113101 506121202 /nfs/dbraw/zinc/12/12/02/506121202.db2.gz DZUCNHFOMHCFPB-JOCHJYFZSA-N 2 0 351.494 3.337 20 0 FGADRP C[C@H]1[C@@H](NC(=O)c2cccc(Cn3ccnc3)c2)CC[N@@H+]1Cc1ccccc1 ZINC000288265405 498980800 /nfs/dbraw/zinc/98/08/00/498980800.db2.gz PLQNPYWETWNEED-AVRDEDQJSA-N 2 0 374.488 3.324 20 0 FGADRP Cc1cc([C@@H](C)[NH2+]CCCC[NH+]2CCN(Cc3ccccc3)CC2)no1 ZINC000283916349 499012098 /nfs/dbraw/zinc/01/20/98/499012098.db2.gz DMXMOCKKJZQGRB-LJQANCHMSA-N 2 0 356.514 3.232 20 0 FGADRP C[C@@H]1COCC[C@@H]1[NH2+]Cc1cc(Cl)cc(C[NH2+][C@H]2CCOC[C@H]2C)c1 ZINC000295483596 499031598 /nfs/dbraw/zinc/03/15/98/499031598.db2.gz AAGMXWUYUBFEHX-IPZZXCBHSA-N 2 0 366.933 3.369 20 0 FGADRP C[C@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cccc(S(C)(=O)=O)c1 ZINC000295673158 499077332 /nfs/dbraw/zinc/07/73/32/499077332.db2.gz KGRNAHATWCMLFJ-UWJYYQICSA-N 2 0 372.534 3.090 20 0 FGADRP C[NH+]1CCC(Oc2ccc(C[NH2+][C@@H]3[C@H]4CCO[C@@H]4C34CCC4)cc2)CC1 ZINC000284351997 499094092 /nfs/dbraw/zinc/09/40/92/499094092.db2.gz MIDVCUWNVNJQJQ-NJYVYQBISA-N 2 0 356.510 3.207 20 0 FGADRP Cc1ccc([C@H](CNC(=O)[C@@H]2C[NH2+]Cc3ccccc32)[NH+]2CCCC2)cc1 ZINC000576342787 506135161 /nfs/dbraw/zinc/13/51/61/506135161.db2.gz XQKWRNRPWNCURW-YADHBBJMSA-N 2 0 363.505 3.135 20 0 FGADRP CCOC1CC(C[N@H+](C)[C@@H]2CCC[NH+](CC3CC(OCC)C3)CC2)C1 ZINC000367222552 499163954 /nfs/dbraw/zinc/16/39/54/499163954.db2.gz CVUIZJNKPJHUKR-PSTSCRTLSA-N 2 0 352.563 3.403 20 0 FGADRP c1ccc(CN2CC[NH+](CCCC[NH2+][C@H]3CCC34CCOCC4)CC2)cc1 ZINC000367259311 499169546 /nfs/dbraw/zinc/16/95/46/499169546.db2.gz HOYMOEATOQCTBQ-QFIPXVFZSA-N 2 0 371.569 3.133 20 0 FGADRP C[NH+](C)CCCCCCCNC(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000370077386 499175594 /nfs/dbraw/zinc/17/55/94/499175594.db2.gz KYGAVPVLHWWJEU-UHFFFAOYSA-N 2 0 352.567 3.205 20 0 FGADRP COc1ccccc1CNC(=[NH2+])NC[C@@H]1CC[N@H+](C)[C@H]1c1cccs1 ZINC000370160837 499190072 /nfs/dbraw/zinc/19/00/72/499190072.db2.gz IMSYQSPLMFAODD-MAUKXSAKSA-N 2 0 358.511 3.064 20 0 FGADRP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(C(=O)N3CCCCC3)cc2)[C@H]2CCC[C@H]21 ZINC000367605900 499217013 /nfs/dbraw/zinc/21/70/13/499217013.db2.gz IIAPBLUIRFPRDB-QHAWAJNXSA-N 2 0 355.526 3.275 20 0 FGADRP COc1ccc(-c2n[nH]cc2C[N@@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)cc1 ZINC000367681871 499224412 /nfs/dbraw/zinc/22/44/12/499224412.db2.gz DHQOXUAHWKOVOU-GOSISDBHSA-N 2 0 354.498 3.249 20 0 FGADRP C[C@@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccccc1OC(F)F ZINC000370634175 499237842 /nfs/dbraw/zinc/23/78/42/499237842.db2.gz KKLJJYDZZCSGOT-HUUCEWRRSA-N 2 0 353.457 3.107 20 0 FGADRP C[C@@H]1C[NH+](CCCC[NH2+]C2CCN(Cc3cccs3)CC2)C[C@@H](C)O1 ZINC000370645698 499239438 /nfs/dbraw/zinc/23/94/38/499239438.db2.gz LOZWHRXJMLBGJU-QZTJIDSGSA-N 2 0 365.587 3.192 20 0 FGADRP C[NH+](C)Cc1ccccc1C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000370677639 499243381 /nfs/dbraw/zinc/24/33/81/499243381.db2.gz OVZRRWOZSPQQDN-RBBKRZOGSA-N 2 0 363.505 3.095 20 0 FGADRP C[C@H](C(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)[C@@H]([NH3+])c1ccccc1 ZINC000370763847 499252473 /nfs/dbraw/zinc/25/24/73/499252473.db2.gz PWJXGYVJMUVZPB-RCZSKKKRSA-N 2 0 365.521 3.351 20 0 FGADRP COCCC1(C[N@@H+]2CCN(C3CC[NH+](C)CC3)[C@@H](C)C2)CCCCC1 ZINC000368052707 499260011 /nfs/dbraw/zinc/26/00/11/499260011.db2.gz XWUFFHLIBGSEAD-IBGZPJMESA-N 2 0 351.579 3.074 20 0 FGADRP Cc1nn2c(C[N@H+](C)CC3CCN(c4cc[nH+]cc4)CC3)c(C)nc2s1 ZINC000368299990 499283335 /nfs/dbraw/zinc/28/33/35/499283335.db2.gz LCEIRUNHILEYIK-UHFFFAOYSA-N 2 0 370.526 3.151 20 0 FGADRP c1ccc(C[N@@H+]2CCCO[C@@H](CN3CCC[C@@H]([NH+]4CCCCC4)C3)C2)cc1 ZINC000368505029 499302686 /nfs/dbraw/zinc/30/26/86/499302686.db2.gz TYIPWITXDJVLLQ-DHIUTWEWSA-N 2 0 371.569 3.228 20 0 FGADRP Cc1cccc(C)c1OCCC[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000371302988 499307721 /nfs/dbraw/zinc/30/77/21/499307721.db2.gz LXUAVRRDRQQFBO-NHCUHLMSSA-N 2 0 359.558 3.030 20 0 FGADRP C[C@H](O)c1ncc(C[NH2+]CC2CC[NH+](CCc3ccccc3)CC2)s1 ZINC000368569228 499308524 /nfs/dbraw/zinc/30/85/24/499308524.db2.gz VDWKMXXLXJPTKM-INIZCTEOSA-N 2 0 359.539 3.241 20 0 FGADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC2(C[C@@H]2c2nnc3n2CCCCC3)CC1 ZINC000371329592 499310729 /nfs/dbraw/zinc/31/07/29/499310729.db2.gz KXWNHJMXSKEQGZ-QZTJIDSGSA-N 2 0 357.546 3.058 20 0 FGADRP C[NH+](C)CCCCCCCNC(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000371469119 499331071 /nfs/dbraw/zinc/33/10/71/499331071.db2.gz NXNAZIDZVZOODS-UHFFFAOYSA-N 2 0 352.567 3.016 20 0 FGADRP CCC[NH+]1CCN(C2CC[NH+](C[C@H]3CCC4(CCCCC4)O3)CC2)CC1 ZINC000369042300 499359682 /nfs/dbraw/zinc/35/96/82/499359682.db2.gz UDBNCCJPSDVOQF-OAQYLSRUSA-N 2 0 363.590 3.360 20 0 FGADRP CC(C)[N@@H+]1CC[C@@H](C[NH2+][C@H](C)CCCCN2C(=O)c3ccccc3C2=O)C1 ZINC000576385705 506145411 /nfs/dbraw/zinc/14/54/11/506145411.db2.gz DLOLNLHFJIOKKH-MSOLQXFVSA-N 2 0 371.525 3.161 20 0 FGADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC([C@H]2CCCCCN2C(=O)C2CC2)CC1 ZINC000372424838 499433113 /nfs/dbraw/zinc/43/31/13/499433113.db2.gz IMVIRSMFJMGYQC-LEWJYISDSA-N 2 0 361.574 3.364 20 0 FGADRP C[NH+]1CCC2(CCCN2C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000372442830 499435545 /nfs/dbraw/zinc/43/55/45/499435545.db2.gz ZQADLFHVLSRAHZ-UHFFFAOYSA-N 2 0 370.541 3.052 20 0 FGADRP CCC[NH+]1CCN(C2CC[NH+](C[C@@H](C)c3ccc(OC)cc3)CC2)CC1 ZINC000372933081 499443641 /nfs/dbraw/zinc/44/36/41/499443641.db2.gz YIOSVUUXMLLHCK-LJQANCHMSA-N 2 0 359.558 3.291 20 0 FGADRP Cn1cc2c(n1)CCC[C@H]2[NH2+]C1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000373520801 499474555 /nfs/dbraw/zinc/47/45/55/499474555.db2.gz JGEWUGQVKRGDSS-ZBCRRDGASA-N 2 0 356.436 3.192 20 0 FGADRP Cc1nc([C@H](C)[NH2+]CC2(N3CC[NH+](C)CC3)CCCCCC2)cs1 ZINC000378199986 499489773 /nfs/dbraw/zinc/48/97/73/499489773.db2.gz KBBWQUCIGGNYHQ-INIZCTEOSA-N 2 0 350.576 3.443 20 0 FGADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2Cc1ncc(-c2cccc(F)c2)o1 ZINC000378250260 499494424 /nfs/dbraw/zinc/49/44/24/499494424.db2.gz SPZHAPYASFMLPL-KURKYZTESA-N 2 0 359.445 3.164 20 0 FGADRP Cc1cccc(N2CC[NH+](CCCC[NH2+][C@H](C)c3cncnc3C)CC2)c1 ZINC000573220031 506147383 /nfs/dbraw/zinc/14/73/83/506147383.db2.gz VNWKTBJYHKQVSI-LJQANCHMSA-N 2 0 367.541 3.346 20 0 FGADRP C[NH+](C)Cc1cccc(C(=O)N2CCC3(C[C@H]3C[N@H+](C)C3CC3)CC2)c1 ZINC000378351547 499505503 /nfs/dbraw/zinc/50/55/03/499505503.db2.gz AGLPHTUHAREKBE-IBGZPJMESA-N 2 0 355.526 3.085 20 0 FGADRP C[N@@H+]1CCC[C@H](CNC(=O)NCCCC[NH+]2CCCC2)[C@H]1c1ccccc1 ZINC000375434375 499518517 /nfs/dbraw/zinc/51/85/17/499518517.db2.gz UWLQNMJXDLKHHK-NHCUHLMSSA-N 2 0 372.557 3.245 20 0 FGADRP C[C@H]([NH2+]Cc1cnn(CC(F)(F)F)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000381942244 499545171 /nfs/dbraw/zinc/54/51/71/499545171.db2.gz ZFFSXIMUTSGDCO-YJBOKZPZSA-N 2 0 366.431 3.446 20 0 FGADRP C[C@H]([NH2+]Cc1ccc2c(c1)OCCO2)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000389105740 499552265 /nfs/dbraw/zinc/55/22/65/499552265.db2.gz PBMVOCMEGIYPLU-FXAWDEMLSA-N 2 0 352.478 3.458 20 0 FGADRP COc1cc(C[NH2+][C@H]2CCN(Cc3ccccc3)[C@@H]2C)cc2c1OCO2 ZINC000389416768 499552836 /nfs/dbraw/zinc/55/28/36/499552836.db2.gz MPKSJQSNXUJCKA-QAPCUYQASA-N 2 0 354.450 3.177 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000389845319 499553262 /nfs/dbraw/zinc/55/32/62/499553262.db2.gz NEKWVQHRFYZBFZ-JRGCBEDISA-N 2 0 351.494 3.103 20 0 FGADRP C[C@H](Cc1ccc(F)cc1)[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000397525373 499564425 /nfs/dbraw/zinc/56/44/25/499564425.db2.gz WJZPBEPEFCAIRZ-GOSISDBHSA-N 2 0 356.485 3.373 20 0 FGADRP C[C@]1([NH2+]Cc2cnn(CC(F)(F)F)c2)CCN(Cc2ccccc2)C1 ZINC000405953269 499571991 /nfs/dbraw/zinc/57/19/91/499571991.db2.gz HZLVHTWUQANLQZ-KRWDZBQOSA-N 2 0 352.404 3.200 20 0 FGADRP C[C@@H](C[NH2+][C@@H](C)[C@@H]1C[C@H]1c1ccc(Cl)s1)CN1CC[NH+](C)CC1 ZINC000376079931 499581449 /nfs/dbraw/zinc/58/14/49/499581449.db2.gz IDEROIOWHCGVGT-YHUYYLMFSA-N 2 0 355.979 3.367 20 0 FGADRP C[C@H]1CCC[N@H+](CCCC[NH2+]C[C@@H](O)COc2cccc3[nH]ccc32)C1 ZINC000582176191 506151298 /nfs/dbraw/zinc/15/12/98/506151298.db2.gz HCINFNRCZSOSOS-ZWKOTPCHSA-N 2 0 359.514 3.009 20 0 FGADRP C(C[NH+]1CCOCC1)C1CC[NH+](C[C@H]2CCC3(CCCCC3)O2)CC1 ZINC000409449886 499597318 /nfs/dbraw/zinc/59/73/18/499597318.db2.gz UFJJEZMKXGWPAP-HXUWFJFHSA-N 2 0 350.547 3.303 20 0 FGADRP c1c[nH]c([C@H](NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)c2ccncc2)n1 ZINC000376417086 499607163 /nfs/dbraw/zinc/60/71/63/499607163.db2.gz WPTRJXIGYAKWDB-TZIWHRDSSA-N 2 0 361.493 3.396 20 0 FGADRP C[C@@H](C(=O)NCCC[N@H+](C)Cc1ccccc1)N1CCc2ccccc2C1 ZINC000409648632 499611964 /nfs/dbraw/zinc/61/19/64/499611964.db2.gz SVAFKYMBHPVKGZ-IBGZPJMESA-N 2 0 365.521 3.072 20 0 FGADRP O=C(NC1CC([NH+]2CCCCC2)C1)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000376567589 499619503 /nfs/dbraw/zinc/61/95/03/499619503.db2.gz XOYKOMFTJQZTFG-KMFTYDHNSA-N 2 0 373.516 3.171 20 0 FGADRP C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000376705179 499630691 /nfs/dbraw/zinc/63/06/91/499630691.db2.gz DOKAOGIEIRKTRK-PXNSSMCTSA-N 2 0 362.562 3.052 20 0 FGADRP CC[NH+](CC)CCCNC(=O)NCc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000410360655 499657453 /nfs/dbraw/zinc/65/74/53/499657453.db2.gz SCUOMPBFSDMWMJ-IBGZPJMESA-N 2 0 374.573 3.450 20 0 FGADRP CN(c1ccccc1C[N@@H+]1CC[C@@H]([C@@H]2CCOC2)C1)C1CC[NH+](C)CC1 ZINC000377235692 499672687 /nfs/dbraw/zinc/67/26/87/499672687.db2.gz DAVASMGOHOQVDC-UYAOXDASSA-N 2 0 357.542 3.075 20 0 FGADRP COc1cc(C[NH2+]C[C@]2(C)CC[N@H+](Cc3ccccc3)C2)cc(OC)c1O ZINC000377362083 499683480 /nfs/dbraw/zinc/68/34/80/499683480.db2.gz ZUMHBGPLAGFBAS-QFIPXVFZSA-N 2 0 370.493 3.411 20 0 FGADRP COCCOc1ccc(C[N@H+](C)C2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000377692462 499720589 /nfs/dbraw/zinc/72/05/89/499720589.db2.gz INKIGEJEBRWONX-UHFFFAOYSA-N 2 0 355.482 3.208 20 0 FGADRP C[N@H+](Cc1ccc(N2CCCC2)nc1)C1CCN(c2cc[nH+]cc2)CC1 ZINC000377709148 499723753 /nfs/dbraw/zinc/72/37/53/499723753.db2.gz UPKOMPXTHSWYAE-UHFFFAOYSA-N 2 0 351.498 3.178 20 0 FGADRP COC[C@H]([NH2+]C[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)C1CCOCC1 ZINC000377741915 499727232 /nfs/dbraw/zinc/72/72/32/499727232.db2.gz XDNQMJAOJYITLK-UNMCSNQZSA-N 2 0 360.542 3.320 20 0 FGADRP CC(C)[NH+]1CCC(NC(=O)C[NH2+]C2(c3ccc(Cl)cc3)CCC2)CC1 ZINC000411360115 499729483 /nfs/dbraw/zinc/72/94/83/499729483.db2.gz FIEKBHUQBAEKPR-UHFFFAOYSA-N 2 0 363.933 3.298 20 0 FGADRP Cc1cccc(C2([NH2+]CC(=O)NC3CC[NH+](C(C)C)CC3)CCCC2)c1 ZINC000411363960 499729651 /nfs/dbraw/zinc/72/96/51/499729651.db2.gz KWWZSORZHKFMBI-UHFFFAOYSA-N 2 0 357.542 3.343 20 0 FGADRP CC(C)Oc1ccc([C@@H](C)[NH2+]CC(=O)NC2CC[NH+](C(C)C)CC2)cc1 ZINC000411440572 499740721 /nfs/dbraw/zinc/74/07/21/499740721.db2.gz BVQWVXRIRKSSID-QGZVFWFLSA-N 2 0 361.530 3.113 20 0 FGADRP CC[NH+]1CCC(NC(=O)C[NH2+]C2(c3cccc(Cl)c3)CCCC2)CC1 ZINC000411471417 499744961 /nfs/dbraw/zinc/74/49/61/499744961.db2.gz FRVMPWIIXAJXSP-UHFFFAOYSA-N 2 0 363.933 3.299 20 0 FGADRP CC(C)[C@@H]([NH2+]CC(=O)NC1CC[NH+](C(C)C)CC1)c1ccc(F)cc1F ZINC000411473625 499745219 /nfs/dbraw/zinc/74/52/19/499745219.db2.gz KRJYXDGXMFSKMX-HXUWFJFHSA-N 2 0 367.484 3.241 20 0 FGADRP COc1ccc(C[C@@H](C)[NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)cn1 ZINC000414129483 499762878 /nfs/dbraw/zinc/76/28/78/499762878.db2.gz UXHGUVDFYKEZIM-GOSISDBHSA-N 2 0 369.509 3.286 20 0 FGADRP Cc1ccc([C@@H]2CCC[C@@H]2[NH2+]CC2(N3CCOCC3)CC[NH+](C)CC2)cc1 ZINC000414181643 499766284 /nfs/dbraw/zinc/76/62/84/499766284.db2.gz CFGGJEIWVOIKQH-VXKWHMMOSA-N 2 0 371.569 3.017 20 0 FGADRP COc1ccc([C@H](CO)C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000414182517 499766671 /nfs/dbraw/zinc/76/66/71/499766671.db2.gz NIWLLCUXYARJLG-AVCGJXAMSA-N 2 0 368.521 3.271 20 0 FGADRP OC1(C[NH2+][C@@H]2CCCC[C@@H]2[C@H]2CCOC2)CC[NH+](Cc2ccccc2)CC1 ZINC000414294288 499775191 /nfs/dbraw/zinc/77/51/91/499775191.db2.gz BXFTZIFETZXIFB-BHDDXSALSA-N 2 0 372.553 3.198 20 0 FGADRP CC(C)[C@@H]([NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1)c1cccnc1 ZINC000414302242 499775765 /nfs/dbraw/zinc/77/57/65/499775765.db2.gz KHYCRAQYMOIFBH-OAQYLSRUSA-N 2 0 353.510 3.395 20 0 FGADRP C[C@@](CO)([NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1)c1cccc(O)c1 ZINC000411733470 499784370 /nfs/dbraw/zinc/78/43/70/499784370.db2.gz GKOSVKXCWDRFCW-QFIPXVFZSA-N 2 0 354.494 3.375 20 0 FGADRP NC(=O)C1CC[NH+](Cc2ccc(C[NH2+]CCC3CCCCC3)cc2)CC1 ZINC000414558131 499808531 /nfs/dbraw/zinc/80/85/31/499808531.db2.gz RHPWPMPMVIKLAY-UHFFFAOYSA-N 2 0 357.542 3.444 20 0 FGADRP Cn1ccnc1C[N@H+](C[C@@H]1C[C@H]1c1ccccc1)[C@H]1CC12CC[NH2+]CC2 ZINC000414721292 499822811 /nfs/dbraw/zinc/82/28/11/499822811.db2.gz GEOKKWIENBUJMH-UFYCRDLUSA-N 2 0 350.510 3.168 20 0 FGADRP c1ccc(CC(Cc2ccccc2)C[N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)cc1 ZINC000414794518 499831784 /nfs/dbraw/zinc/83/17/84/499831784.db2.gz UBKZWYTUZCBZAE-DEOSSOPVSA-N 2 0 363.549 3.068 20 0 FGADRP COc1cc(CNC2CC[NH2+]CC2)cc(OC)c1OCc1ccccc1 ZINC000414794653 499831871 /nfs/dbraw/zinc/83/18/71/499831871.db2.gz WBNCNSURLKNVTB-UHFFFAOYSA-N 2 0 356.466 3.124 20 0 FGADRP COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000414795268 499832170 /nfs/dbraw/zinc/83/21/70/499832170.db2.gz GKOSYEVXFJPUOL-GZBFAFLISA-N 2 0 353.894 3.173 20 0 FGADRP Brc1ccc(C[NH2+]CC[C@@H]2CC[NH2+]C2)cc1Br ZINC000414836532 499835959 /nfs/dbraw/zinc/83/59/59/499835959.db2.gz SVKOATGLKZZADT-JTQLQIEISA-N 2 0 362.109 3.301 20 0 FGADRP CC(C)c1ccc([C@@H]([NH3+])CNC2CC[NH+](Cc3ccncc3)CC2)cc1 ZINC000414843602 499836774 /nfs/dbraw/zinc/83/67/74/499836774.db2.gz JTGPEYKULTYYAC-QFIPXVFZSA-N 2 0 352.526 3.459 20 0 FGADRP CCOc1cc(C[NH2+]CC[C@H]2CCC[NH2+]C2)cc(Br)c1OC ZINC000414853667 499838230 /nfs/dbraw/zinc/83/82/30/499838230.db2.gz SLPPIJLEESNOPV-CYBMUJFWSA-N 2 0 371.319 3.336 20 0 FGADRP CCOc1c(Br)cc(C[NH2+][C@@H](C)[C@@H]2CCC[NH2+]C2)cc1OC ZINC000414858303 499838484 /nfs/dbraw/zinc/83/84/84/499838484.db2.gz RFMDCGYLCOCQFO-GXTWGEPZSA-N 2 0 371.319 3.334 20 0 FGADRP C[C@H](CCCCN1C(=O)c2ccccc2C1=O)[NH2+]CC1([NH3+])CCCCCC1 ZINC000414858000 499838533 /nfs/dbraw/zinc/83/85/33/499838533.db2.gz HCXGGJBXZYNZKN-QGZVFWFLSA-N 2 0 371.525 3.483 20 0 FGADRP COc1ccc(C(=O)Nc2cccc(C[NH2+][C@H](C)[C@H]3CCC[NH2+]C3)c2)cc1 ZINC000414865649 499839149 /nfs/dbraw/zinc/83/91/49/499839149.db2.gz ZKJYKRSWXDDYKC-APWZRJJASA-N 2 0 367.493 3.425 20 0 FGADRP COCC1(C[NH2+]Cc2c(Cl)cccc2N2CCCC2)CC[NH2+]CC1 ZINC000414979411 499850935 /nfs/dbraw/zinc/85/09/35/499850935.db2.gz UXBWQDNNBRKBBK-UHFFFAOYSA-N 2 0 351.922 3.046 20 0 FGADRP Fc1ccc([C@@H]2CC[NH2+]C[C@@H]2C[NH2+]C2CCN(c3ccccn3)CC2)cc1 ZINC000415006651 499854387 /nfs/dbraw/zinc/85/43/87/499854387.db2.gz QLFOLJYQSFZNML-NQIIRXRSSA-N 2 0 368.500 3.172 20 0 FGADRP [NH3+]C[C@H]1CC[C@H](C[NH2+]C2CCN(C(=O)c3ccccc3Cl)CC2)CC1 ZINC000415022248 499855645 /nfs/dbraw/zinc/85/56/45/499855645.db2.gz IRZQHBPPUPVRGA-WKILWMFISA-N 2 0 363.933 3.299 20 0 FGADRP Fc1cc(-c2ccncc2)ccc1C[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000415050596 499858321 /nfs/dbraw/zinc/85/83/21/499858321.db2.gz ISRBBTAJBQNBSJ-UHFFFAOYSA-N 2 0 368.500 3.194 20 0 FGADRP Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)CC3 ZINC000415050563 499858345 /nfs/dbraw/zinc/85/83/45/499858345.db2.gz ILGLZWFAFNHOLG-XBMUEBEBSA-N 2 0 366.553 3.140 20 0 FGADRP Cc1cc(C[NH2+]C2CCC([NH+]3CCNCC3)CC2)c(OC(F)F)cc1C ZINC000415059271 499859262 /nfs/dbraw/zinc/85/92/62/499859262.db2.gz VALVANIQICAVDW-UHFFFAOYSA-N 2 0 367.484 3.211 20 0 FGADRP C[C@@H](Cn1cc(Br)cn1)[NH2+][C@@H](CCC[NH3+])c1ccccc1 ZINC000415058598 499859510 /nfs/dbraw/zinc/85/95/10/499859510.db2.gz UDXVECNFEVKTNN-BBRMVZONSA-N 2 0 351.292 3.104 20 0 FGADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1cccc(CN2CCO[C@H](C)C2)c1 ZINC000415087121 499862284 /nfs/dbraw/zinc/86/22/84/499862284.db2.gz UAEHVWZFZIOVFL-KNKQGSTJSA-N 2 0 359.558 3.308 20 0 FGADRP FC(F)(F)c1cccc(C2(C[NH2+][C@@H]3CCC[NH2+]CC3)CCOCC2)c1 ZINC000415093480 499862817 /nfs/dbraw/zinc/86/28/17/499862817.db2.gz VIDUUFSDCRUNSJ-QGZVFWFLSA-N 2 0 356.432 3.485 20 0 FGADRP FC(F)(F)c1cccc(CN2CCC([NH2+]C[C@@H]3CCC[NH2+]C3)CC2)c1 ZINC000415105470 499864286 /nfs/dbraw/zinc/86/42/86/499864286.db2.gz MIERXSGZBPOXAL-MRXNPFEDSA-N 2 0 355.448 3.259 20 0 FGADRP Cc1cc(C[NH+]2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)ccc1Br ZINC000415106919 499864590 /nfs/dbraw/zinc/86/45/90/499864590.db2.gz KBDSKLLBZDZNAK-ZWKOTPCHSA-N 2 0 367.331 3.476 20 0 FGADRP [NH3+][C@@H]1CCO[C@H](C2CC[NH+](Cc3sccc3Br)CC2)C1 ZINC000415116639 499865708 /nfs/dbraw/zinc/86/57/08/499865708.db2.gz BSOLDCPRGMSDJX-OCCSQVGLSA-N 2 0 359.333 3.229 20 0 FGADRP [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000415314624 499885531 /nfs/dbraw/zinc/88/55/31/499885531.db2.gz XXMKRJZZPYQIQI-XLIONFOSSA-N 2 0 374.529 3.190 20 0 FGADRP CC1CC[NH+](CCc2cccc(NC(=O)N3C[C@@H]4CC[NH2+]C[C@H]4C3)c2)CC1 ZINC000415389469 499890992 /nfs/dbraw/zinc/89/09/92/499890992.db2.gz JAQNJBIHTCMWFR-PMACEKPBSA-N 2 0 370.541 3.034 20 0 FGADRP CC[NH+](CC)C[C@H]1CCCC[C@@H]1NC(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000415883500 499924032 /nfs/dbraw/zinc/92/40/32/499924032.db2.gz NRPDCDKMDVQFLH-XLIONFOSSA-N 2 0 358.530 3.354 20 0 FGADRP C[NH+](C)C[C@@H](NC(=O)Nc1ccc2c(c1)C[NH2+]CC2)c1ccc(Cl)cc1 ZINC000415888829 499924599 /nfs/dbraw/zinc/92/45/99/499924599.db2.gz ASWFWWBAEBPUTJ-LJQANCHMSA-N 2 0 372.900 3.410 20 0 FGADRP O=C(Nc1ccc2c(c1)C[NH2+]CC2)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000415890429 499924894 /nfs/dbraw/zinc/92/48/94/499924894.db2.gz DPIFEUQXRJJISL-UHFFFAOYSA-N 2 0 370.541 3.452 20 0 FGADRP CC[NH2+]Cc1ccccc1NC(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C ZINC000415916188 499927851 /nfs/dbraw/zinc/92/78/51/499927851.db2.gz BAAKPINVPZYSST-LJQANCHMSA-N 2 0 354.498 3.091 20 0 FGADRP C[NH2+]Cc1cccc(NC(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)c1 ZINC000415926134 499929392 /nfs/dbraw/zinc/92/93/92/499929392.db2.gz CNYUQCWJTVEULY-HXUWFJFHSA-N 2 0 352.482 3.365 20 0 FGADRP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)Nc2ccc(OCC[NH3+])cc2)C1 ZINC000415930519 499929639 /nfs/dbraw/zinc/92/96/39/499929639.db2.gz ABVHZNXHHFOCDZ-ROUUACIJSA-N 2 0 374.529 3.142 20 0 FGADRP CC[NH2+]Cc1cccc(NC(=O)NC[C@@H](c2ccccc2OC)N(C)C)c1 ZINC000415932211 499930029 /nfs/dbraw/zinc/93/00/29/499930029.db2.gz MPDAXMCIVYETOV-IBGZPJMESA-N 2 0 370.497 3.229 20 0 FGADRP C[NH2+]Cc1cccc(NC(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000415935990 499930431 /nfs/dbraw/zinc/93/04/31/499930431.db2.gz UTIPISIIULLJFF-OXJNMPFZSA-N 2 0 352.482 3.048 20 0 FGADRP CC[NH2+]Cc1cccc(NC(=O)N(CC[NH+](C)C)Cc2ccsc2)c1 ZINC000415938065 499930634 /nfs/dbraw/zinc/93/06/34/499930634.db2.gz XMVDSGJXSNTULJ-UHFFFAOYSA-N 2 0 360.527 3.453 20 0 FGADRP C[NH2+]Cc1cccc(NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000415943774 499931394 /nfs/dbraw/zinc/93/13/94/499931394.db2.gz MZABMAJTFAVKPJ-LAUBAEHRSA-N 2 0 366.509 3.438 20 0 FGADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000415963881 499934390 /nfs/dbraw/zinc/93/43/90/499934390.db2.gz WKDLNUFPCRHYEZ-CVEARBPZSA-N 2 0 370.419 3.255 20 0 FGADRP C[C@@H]1CCN(C(=O)Nc2ccc(C[NH3+])cc2)CC[N@@H+]1Cc1ccccc1 ZINC000415971689 499935659 /nfs/dbraw/zinc/93/56/59/499935659.db2.gz GSBYBLLDRNOZSM-QGZVFWFLSA-N 2 0 352.482 3.274 20 0 FGADRP CC(C)C[NH+]1CCC(NC(=O)Nc2cc(C[NH3+])cc(C(F)(F)F)c2)CC1 ZINC000415978769 499936475 /nfs/dbraw/zinc/93/64/75/499936475.db2.gz YWRBGDZBGVDUBK-UHFFFAOYSA-N 2 0 372.435 3.406 20 0 FGADRP C[C@@H]1CN(C(=O)Nc2ccc(C[NH3+])cc2)[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC000415981365 499937237 /nfs/dbraw/zinc/93/72/37/499937237.db2.gz VLXUUOCSFZQTPF-SJORKVTESA-N 2 0 352.482 3.272 20 0 FGADRP C[C@H](CCNC(=O)Nc1ccc2c(c1)C[NH2+]C2)[N@H+](C)Cc1ccccc1 ZINC000415997304 499939057 /nfs/dbraw/zinc/93/90/57/499939057.db2.gz OVPAXYIFSJSKOQ-MRXNPFEDSA-N 2 0 352.482 3.322 20 0 FGADRP C[NH+](C)C[C@H](NC(=O)C[C@H](c1ccccc1)[NH+](C)C)c1ccc(F)cc1 ZINC000416235218 499989782 /nfs/dbraw/zinc/98/97/82/499989782.db2.gz SGDDTSQWNLFKJB-VQTJNVASSA-N 2 0 357.473 3.238 20 0 FGADRP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](Cc2cccc(C3CC3)c2)CC1 ZINC000421320571 500015837 /nfs/dbraw/zinc/01/58/37/500015837.db2.gz PSTABNNPXIXBIW-UHFFFAOYSA-N 2 0 371.569 3.480 20 0 FGADRP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N[C@H](CCC[NH3+])c1ccccc1 ZINC000417256443 500020343 /nfs/dbraw/zinc/02/03/43/500020343.db2.gz SDSOELNZQCFGQQ-HLNWXESRSA-N 2 0 360.546 3.132 20 0 FGADRP C[NH+](C)CCNC(=O)c1ccc(C[NH2+]Cc2cccc(C3CC3)c2)cc1 ZINC000421345899 500022433 /nfs/dbraw/zinc/02/24/33/500022433.db2.gz XZEBPNDYYLJIGX-UHFFFAOYSA-N 2 0 351.494 3.145 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)NCc1ccc([C@H](C)[NH3+])cc1)c1ccco1 ZINC000417310740 500036088 /nfs/dbraw/zinc/03/60/88/500036088.db2.gz KSDSWXOWCJZWQX-YJBOKZPZSA-N 2 0 358.486 3.182 20 0 FGADRP C[C@@H](CCCC[NH3+])NC(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000417353719 500047115 /nfs/dbraw/zinc/04/71/15/500047115.db2.gz JSUOQCUNRUXERW-SFHVURJKSA-N 2 0 360.546 3.379 20 0 FGADRP CCC[NH+]1CCC(CNC(=O)N[C@H](C[NH3+])c2ccc3ccccc3c2)CC1 ZINC000417391853 500058446 /nfs/dbraw/zinc/05/84/46/500058446.db2.gz OBWKYHIMZDMXRS-OAQYLSRUSA-N 2 0 368.525 3.261 20 0 FGADRP C[NH+](CC[C@H]1CCCO1)Cc1cncc(C[N@H+](C)CC[C@H]2CCCO2)c1 ZINC000579435871 506173318 /nfs/dbraw/zinc/17/33/18/506173318.db2.gz KWBLWHMEGYEWST-NHCUHLMSSA-N 2 0 361.530 3.083 20 0 FGADRP CCC[NH+]1CCC(CNC(=O)NC[C@H]([NH3+])c2ccc(C(C)C)cc2)CC1 ZINC000417393436 500058904 /nfs/dbraw/zinc/05/89/04/500058904.db2.gz QKCFIBDJNMWZSY-FQEVSTJZSA-N 2 0 360.546 3.231 20 0 FGADRP COc1cc2[nH+]ccc(N3C[C@@H]4C[N@@H+](C)C[C@@H]4C3)c2cc1Br ZINC000425264794 500060289 /nfs/dbraw/zinc/06/02/89/500060289.db2.gz XQHMCQRKOCPLGV-TXEJJXNPSA-N 2 0 362.271 3.004 20 0 FGADRP C[C@H]1CN(C(=O)c2cccc(C[N@H+](C)Cc3ccccc3)c2)C[C@H](C)[NH2+]1 ZINC000429413348 500073099 /nfs/dbraw/zinc/07/30/99/500073099.db2.gz UHZQBKIOWNUQTA-ROUUACIJSA-N 2 0 351.494 3.141 20 0 FGADRP CC(C)[C@@H]([NH3+])CNC(=O)NCCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000417564761 500110718 /nfs/dbraw/zinc/11/07/18/500110718.db2.gz PCJGBLAIMJBCBH-NRFANRHFSA-N 2 0 374.573 3.004 20 0 FGADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)N(CC[NH3+])Cc1ccccc1)c1ccccc1 ZINC000417636359 500132069 /nfs/dbraw/zinc/13/20/69/500132069.db2.gz XQPUPYQIPMVILT-GOSISDBHSA-N 2 0 368.525 3.286 20 0 FGADRP CC(C)(C)CC[NH+]1CCN(C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1 ZINC000429725095 500132359 /nfs/dbraw/zinc/13/23/59/500132359.db2.gz ROOGLBYPZNLDKP-JOCHJYFZSA-N 2 0 373.585 3.331 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)N1CCC[C@@H]([NH2+]C)C1)c1ccccc1Cl ZINC000416844250 500135910 /nfs/dbraw/zinc/13/59/10/500135910.db2.gz PYMXKWVXFRWZKM-QAPCUYQASA-N 2 0 366.937 3.116 20 0 FGADRP CC(C)(C)[C@H](C[N@@H+]1CCc2ccccc2C1)NC(=O)NC(C)(C)CCC[NH3+] ZINC000417687611 500149502 /nfs/dbraw/zinc/14/95/02/500149502.db2.gz RMKVEBKEHBPEBD-IBGZPJMESA-N 2 0 374.573 3.276 20 0 FGADRP C[C@@H]([NH2+]C1(CNC(=O)NCCC[C@H]2CCC[NH2+]2)CCCC1)c1ccccc1 ZINC000417701383 500151631 /nfs/dbraw/zinc/15/16/31/500151631.db2.gz JKZHDVCMTVDUBN-UYAOXDASSA-N 2 0 372.557 3.481 20 0 FGADRP O=C(NCCC[C@@H]1CCC[NH2+]1)NCc1ccccc1C[NH+]1CCCCC1 ZINC000416909347 500153530 /nfs/dbraw/zinc/15/35/30/500153530.db2.gz XUWYACBMPJHXCC-FQEVSTJZSA-N 2 0 358.530 3.004 20 0 FGADRP C[C@@H]([NH2+]CCN1CC[NH+](Cc2ccccc2)CC1)c1ccncc1Cl ZINC000421815535 500157651 /nfs/dbraw/zinc/15/76/51/500157651.db2.gz MXYQKSPFGSUYKX-QGZVFWFLSA-N 2 0 358.917 3.203 20 0 FGADRP CCCN1C[C@H](C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1=O ZINC000421874844 500167333 /nfs/dbraw/zinc/16/73/33/500167333.db2.gz IPGRFTHKCTYBQH-XSDIEEQYSA-N 2 0 355.526 3.030 20 0 FGADRP C[C@H]([NH3+])c1ccc(CNC(=O)NCc2cccc(C[NH+]3CCCC3)c2)cc1 ZINC000416983664 500175218 /nfs/dbraw/zinc/17/52/18/500175218.db2.gz NQLSLIFQHLHALP-KRWDZBQOSA-N 2 0 366.509 3.302 20 0 FGADRP CC(C)C[C@H](CNC(=O)NC1(C)CC[NH2+]CC1)[NH2+][C@@H](C)c1ccccc1 ZINC000417867680 500187647 /nfs/dbraw/zinc/18/76/47/500187647.db2.gz FNTMOTDBFDIYKL-PKOBYXMFSA-N 2 0 360.546 3.193 20 0 FGADRP CCCC[N@H+](CC)Cc1cccc(CNC(=O)NC[C@]2(C)CCC[NH2+]C2)c1 ZINC000417868008 500187699 /nfs/dbraw/zinc/18/76/99/500187699.db2.gz CKSLJLYXVAVORG-JOCHJYFZSA-N 2 0 374.573 3.498 20 0 FGADRP CCCC[N@H+](CC)Cc1cccc(CNC(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)c1 ZINC000417874008 500188922 /nfs/dbraw/zinc/18/89/22/500188922.db2.gz JYGCDBDQYTYWTF-FXAWDEMLSA-N 2 0 360.546 3.106 20 0 FGADRP CC(C)C[C@H](CNC(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1)[NH2+][C@H](C)c1ccccc1 ZINC000417880673 500190935 /nfs/dbraw/zinc/19/09/35/500190935.db2.gz STPXQCHNMLNEPX-BVOGOJNSSA-N 2 0 372.557 3.003 20 0 FGADRP C[C@H](CCCC[NH3+])NC(=O)NCC[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000417935571 500200606 /nfs/dbraw/zinc/20/06/06/500200606.db2.gz ZTAXVFXDINNKLP-WSTZPKSXSA-N 2 0 360.546 3.104 20 0 FGADRP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCC(C)CC1)C(C)(C)n1cncn1 ZINC000570502728 506182653 /nfs/dbraw/zinc/18/26/53/506182653.db2.gz NRUCEDUBWQIOAQ-SFHVURJKSA-N 2 0 355.530 3.423 20 0 FGADRP CC(C)N1CC[C@@H](NC(=O)N[C@@H](C)[C@H](C)[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000418009720 500213434 /nfs/dbraw/zinc/21/34/34/500213434.db2.gz SCTZEHJKSQLGIK-IYVPYFHTSA-N 2 0 370.900 3.038 20 0 FGADRP CC1=C[C@@H](C)C[N@@H+]([C@@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000430260973 500217631 /nfs/dbraw/zinc/21/76/31/500217631.db2.gz IBCSBPKRLNGMRH-MJGOQNOKSA-N 2 0 355.526 3.054 20 0 FGADRP CCc1ccc([C@@H](CNC(=O)NC2CCC([NH+](C)C)CC2)[NH+](C)C)cc1 ZINC000422143433 500219723 /nfs/dbraw/zinc/21/97/23/500219723.db2.gz PORXESIALFMZDB-SOAGJPPSSA-N 2 0 360.546 3.024 20 0 FGADRP CCCC[C@H](C[NH3+])NC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000418161128 500239684 /nfs/dbraw/zinc/23/96/84/500239684.db2.gz SNEFANTYKOIWJC-RTBURBONSA-N 2 0 360.546 3.104 20 0 FGADRP CCC[N@H+](C)[C@H](CNC(=O)N1CC[C@](C)(C[NH3+])C1)c1ccc(Cl)cc1 ZINC000418176938 500243346 /nfs/dbraw/zinc/24/33/46/500243346.db2.gz HLTKOQLGHKFABF-IEBWSBKVSA-N 2 0 366.937 3.103 20 0 FGADRP C[NH2+]CCC1CCN(C(=O)N[C@H](C)[C@H](c2ccccc2C)[NH+](C)C)CC1 ZINC000418182724 500244286 /nfs/dbraw/zinc/24/42/86/500244286.db2.gz NGGRUTCXEWIKBG-YLJYHZDGSA-N 2 0 360.546 3.017 20 0 FGADRP Cc1ccccc1[C@H]([C@H](C)NC(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1)[NH+](C)C ZINC000418182909 500244548 /nfs/dbraw/zinc/24/45/48/500244548.db2.gz NJVCOFLIOLPXHW-YYWHXJBOSA-N 2 0 372.557 3.160 20 0 FGADRP C[NH2+]C[C@H]1CCCN(C(=O)NC[C@@H](c2ccc(CC(C)C)cc2)[NH+](C)C)C1 ZINC000418190823 500246268 /nfs/dbraw/zinc/24/62/68/500246268.db2.gz JSBWUOOKJVIIKZ-CTNGQTDRSA-N 2 0 374.573 3.129 20 0 FGADRP Cc1ccccc1[C@@H]([C@H](C)NC(=O)N1CCC2(CC[NH2+]CC2)CC1)[NH+](C)C ZINC000418193316 500246886 /nfs/dbraw/zinc/24/68/86/500246886.db2.gz ZIHWHGLNJQGYER-AZUAARDMSA-N 2 0 372.557 3.161 20 0 FGADRP CCc1ccc([C@H](CNC(=O)N2CCC([C@H](C)[NH3+])CC2)[NH+](CC)CC)cc1 ZINC000418214906 500250707 /nfs/dbraw/zinc/25/07/07/500250707.db2.gz MIVHRRCMSQTLJH-UWJYYQICSA-N 2 0 374.573 3.401 20 0 FGADRP CC[NH2+]CC1CC[NH+]([C@@H](C)C(=O)Nc2cccc(Br)c2)CC1 ZINC000430585238 500258478 /nfs/dbraw/zinc/25/84/78/500258478.db2.gz QCGYBPXJRIFPPO-ZDUSSCGKSA-N 2 0 368.319 3.098 20 0 FGADRP C[C@H](C(=O)Nc1ccc(OCc2ccccc2)cc1)[NH+]1CCC(C[NH3+])CC1 ZINC000430632390 500264318 /nfs/dbraw/zinc/26/43/18/500264318.db2.gz XHUFVUNREHAMFA-QGZVFWFLSA-N 2 0 367.493 3.263 20 0 FGADRP CCCN(C(=O)NCC[C@H]1CC[NH2+]C1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000418343896 500265385 /nfs/dbraw/zinc/26/53/85/500265385.db2.gz RKKFDYPMJTXRBP-TZIWHRDSSA-N 2 0 372.557 3.072 20 0 FGADRP CCN(CCC[NH+]1CCCC1)C(=O)NC[C@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000418347722 500266594 /nfs/dbraw/zinc/26/65/94/500266594.db2.gz IVOUXZBCTNXQIF-FQEVSTJZSA-N 2 0 360.546 3.327 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000418402040 500272392 /nfs/dbraw/zinc/27/23/92/500272392.db2.gz ARDHSHKQEZRIKS-MISYRCLQSA-N 2 0 364.578 3.190 20 0 FGADRP O=C(CC1CC[NH2+]CC1)NC[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1 ZINC000430722332 500275447 /nfs/dbraw/zinc/27/54/47/500275447.db2.gz FIVXLTSRCZBDSB-IBGZPJMESA-N 2 0 363.933 3.200 20 0 FGADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NCc1ccc([C@@H](C)[NH3+])cc1 ZINC000418457126 500278709 /nfs/dbraw/zinc/27/87/09/500278709.db2.gz GNRMXFXHYSVELU-QGZVFWFLSA-N 2 0 368.525 3.500 20 0 FGADRP CCN(CCC[NH+]1CCCC1)C(=O)N[C@@H](C[NH3+])c1ccc2ccccc2c1 ZINC000418481451 500282029 /nfs/dbraw/zinc/28/20/29/500282029.db2.gz CPSMAEBGLFSXIF-NRFANRHFSA-N 2 0 368.525 3.357 20 0 FGADRP CCN(C(=O)NC[C@]1(C)CCC[NH2+]C1)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000418512975 500286451 /nfs/dbraw/zinc/28/64/51/500286451.db2.gz FOMPYCRHWDAWDO-CZTZKLFOSA-N 2 0 372.557 3.243 20 0 FGADRP C([NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)C1(N2CCSCC2)CCCCC1 ZINC000422711622 500288556 /nfs/dbraw/zinc/28/85/56/500288556.db2.gz MZVJFTQXRBFXDD-GUDVDZBRSA-N 2 0 351.604 3.248 20 0 FGADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1 ZINC000422726479 500290544 /nfs/dbraw/zinc/29/05/44/500290544.db2.gz DZBZZOXLJOHJFO-ZQIUZPCESA-N 2 0 357.420 3.271 20 0 FGADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000422727632 500290694 /nfs/dbraw/zinc/29/06/94/500290694.db2.gz HQPYJPOMQZAHJQ-SZMVWBNQSA-N 2 0 355.448 3.387 20 0 FGADRP CSc1nnc(CCC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)n1CC(C)C ZINC000422734111 500291356 /nfs/dbraw/zinc/29/13/56/500291356.db2.gz RVPCAQKWUGBMIG-ZACQAIPSSA-N 2 0 365.591 3.099 20 0 FGADRP CN(C)[C@H](C[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1cccc(F)c1 ZINC000422730331 500291825 /nfs/dbraw/zinc/29/18/25/500291825.db2.gz MBWSTQBLJYRBNS-SJBKTWHCSA-N 2 0 369.484 3.274 20 0 FGADRP COc1ccc([C@H](NCc2ccc(F)c(C[NH+](C)C)c2)[C@H]2CCC[NH2+]2)cc1 ZINC000422745338 500293046 /nfs/dbraw/zinc/29/30/46/500293046.db2.gz MDACLELGHNVDKN-YADHBBJMSA-N 2 0 371.500 3.479 20 0 FGADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C[C@H](c1ccc(F)cc1)N1CCOCC1 ZINC000422753224 500293909 /nfs/dbraw/zinc/29/39/09/500293909.db2.gz FVPBTCBNDUNNMV-JRGCBEDISA-N 2 0 363.521 3.099 20 0 FGADRP COc1cc(C[NH2+][C@@H]2CCOC[C@@H]2[C@@H](C)[NH3+])ccc1OCc1ccccc1 ZINC000422760145 500295019 /nfs/dbraw/zinc/29/50/19/500295019.db2.gz GESGNLXGBJBWCI-NSISKUIASA-N 2 0 370.493 3.116 20 0 FGADRP CCOC(=O)C1([C@@H](C)[NH2+][C@H](c2ccccc2)c2ccccn2)CC[NH2+]CC1 ZINC000422766870 500295121 /nfs/dbraw/zinc/29/51/21/500295121.db2.gz RKUMKLHTMCFLAK-YLJYHZDGSA-N 2 0 367.493 3.082 20 0 FGADRP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000418601952 500295487 /nfs/dbraw/zinc/29/54/87/500295487.db2.gz ABWIIJSGPRRSLJ-PZJWPPBQSA-N 2 0 372.557 3.058 20 0 FGADRP CCCN(C(=O)N[C@@H]1CC[NH2+]C[C@H]1C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000418602541 500296037 /nfs/dbraw/zinc/29/60/37/500296037.db2.gz VUOBBTZYDYXNML-HLAWJBBLSA-N 2 0 372.557 3.071 20 0 FGADRP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CC1CCN(C(=O)c2ccccc2)CC1 ZINC000422772362 500296171 /nfs/dbraw/zinc/29/61/71/500296171.db2.gz XBUCCTHFZBEVGI-GCJKJVERSA-N 2 0 365.521 3.087 20 0 FGADRP c1cc(C[NH+]2CCCCCC2)ccc1C[NH2+][C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC000422779900 500296618 /nfs/dbraw/zinc/29/66/18/500296618.db2.gz JOTRDXPKMYSCIS-YTFSRNRJSA-N 3 0 371.569 3.309 20 0 FGADRP CC[NH+](CC)CCN(Cc1cccs1)C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000418625614 500297223 /nfs/dbraw/zinc/29/72/23/500297223.db2.gz QTFATWAVTZBLGV-SFHVURJKSA-N 2 0 366.575 3.119 20 0 FGADRP CCOC(=O)C1([C@H](C)[NH2+][C@@H](c2ccc(F)cc2)C(C)C)CC[NH2+]CC1 ZINC000422781788 500297484 /nfs/dbraw/zinc/29/74/84/500297484.db2.gz JGOQUDLYVSXUNZ-MAUKXSAKSA-N 2 0 350.478 3.434 20 0 FGADRP COc1ccc(C[NH+]2CCC(C[NH2+][C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)CC2)cc1 ZINC000422788161 500297503 /nfs/dbraw/zinc/29/75/03/500297503.db2.gz VHPJGKOZGWNODK-YTFSRNRJSA-N 3 0 371.569 3.418 20 0 FGADRP COc1ccc(C)cc1CC[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422794310 500298319 /nfs/dbraw/zinc/29/83/19/500298319.db2.gz YOWNOWAWXIUJRI-UGKGYDQZSA-N 2 0 352.478 3.392 20 0 FGADRP C[C@H](C[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)Oc1cccc(F)c1 ZINC000422790698 500298478 /nfs/dbraw/zinc/29/84/78/500298478.db2.gz PQSHXWIZJLASIT-MFMILTCTSA-N 2 0 356.441 3.439 20 0 FGADRP COc1ccc([C@@H](NC2CC[NH+](C3CCCC3)CC2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422838484 500304457 /nfs/dbraw/zinc/30/44/57/500304457.db2.gz ONVQIOGYDCQFGJ-FCHUYYIVSA-N 2 0 357.542 3.485 20 0 FGADRP C[C@H]([NH3+])C1CC[NH+](CC(=O)N[C@@H](C)c2ccc(Cl)c(Cl)c2)CC1 ZINC000430914769 500306093 /nfs/dbraw/zinc/30/60/93/500306093.db2.gz ABLJYOPTMAFCHG-RYUDHWBXSA-N 2 0 358.313 3.230 20 0 FGADRP O=C(c1ccccc1F)N1CCC([NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)CC1 ZINC000422861163 500306888 /nfs/dbraw/zinc/30/68/88/500306888.db2.gz MJNCBOPJDIJAQH-HLAWJBBLSA-N 2 0 373.516 3.331 20 0 FGADRP Cc1ccc(C[NH2+][C@H](C)c2ccc(C[NH3+])nc2C)c(OC[C@@H]2CCOC2)c1 ZINC000422859913 500306905 /nfs/dbraw/zinc/30/69/05/500306905.db2.gz HRBDZXHORJBTAE-SJLPKXTDSA-N 2 0 369.509 3.423 20 0 FGADRP COc1ccc(OC(F)F)c(C[NH2+][C@@H](C)c2ccc(C[NH3+])nc2C)c1 ZINC000422871444 500308320 /nfs/dbraw/zinc/30/83/20/500308320.db2.gz CWLFPQMHCQYYSW-NSHDSACASA-N 2 0 351.397 3.310 20 0 FGADRP COc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)cc1Br ZINC000422874469 500309026 /nfs/dbraw/zinc/30/90/26/500309026.db2.gz ACRAARHTGDVQRV-CWRNSKLLSA-N 2 0 353.304 3.468 20 0 FGADRP Cc1nc(-c2cccc(NC(=O)C[NH+]3CCC([C@@H](C)[NH3+])CC3)c2)cs1 ZINC000430937214 500309691 /nfs/dbraw/zinc/30/96/91/500309691.db2.gz AGWCQDXYKYYPRS-CYBMUJFWSA-N 2 0 358.511 3.116 20 0 FGADRP C[NH+](C)[C@H](CN[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)C1CCCCC1 ZINC000422892871 500311908 /nfs/dbraw/zinc/31/19/08/500311908.db2.gz NZWFDQWLUXIRRP-KCZVDYSFSA-N 2 0 357.542 3.342 20 0 FGADRP Cc1ccc([C@H](NC(=O)C[NH+]2CCC([C@@H](C)[NH3+])CC2)c2cccs2)cc1 ZINC000430956345 500313170 /nfs/dbraw/zinc/31/31/70/500313170.db2.gz OGPNTZPLDAPJHT-IERDGZPVSA-N 2 0 371.550 3.321 20 0 FGADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@@H](C)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000422901274 500313758 /nfs/dbraw/zinc/31/37/58/500313758.db2.gz RUPWUOWKCONVLI-UWVAXJGDSA-N 2 0 373.541 3.305 20 0 FGADRP c1cc(OCC[NH+]2CCCC2)ccc1C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000422907655 500314893 /nfs/dbraw/zinc/31/48/93/500314893.db2.gz BWRHTOUQACFDGY-BHDDXSALSA-N 3 0 357.542 3.172 20 0 FGADRP CC[N@H+](CCC1CCN(C(=O)NC[C@@H]2CCC[C@H]([NH3+])C2)CC1)CC(C)C ZINC000418734645 500315154 /nfs/dbraw/zinc/31/51/54/500315154.db2.gz VXNHJFNKGCFUCA-UXHICEINSA-N 2 0 366.594 3.294 20 0 FGADRP CCOC(=O)C1([C@H](C)[NH2+][C@H]2CCSc3ccc(F)cc32)CC[NH2+]CC1 ZINC000422909003 500315150 /nfs/dbraw/zinc/31/51/50/500315150.db2.gz FBHIRDKDXHGHJX-BBRMVZONSA-N 2 0 366.502 3.274 20 0 FGADRP COC[C@H](CCC[NH3+])[NH2+]C[C@H]1CCCCN1Cc1cccc(Cl)c1 ZINC000422909228 500315661 /nfs/dbraw/zinc/31/56/61/500315661.db2.gz NQRRHQZOIPMKKB-RBUKOAKNSA-N 2 0 353.938 3.038 20 0 FGADRP CCc1nc(CN2CCC(C[NH2+][C@H]3CCCC[C@H]3C[NH3+])CC2)cs1 ZINC000422916092 500316120 /nfs/dbraw/zinc/31/61/20/500316120.db2.gz ZXVHSWMTJRILSK-WMZOPIPTSA-N 2 0 350.576 3.025 20 0 FGADRP CCOC(=O)C1([C@@H](C)[NH2+]C[C@H](CC)Oc2ccccc2C)CC[NH2+]CC1 ZINC000422919351 500316468 /nfs/dbraw/zinc/31/64/68/500316468.db2.gz JQOIQWFFDXOIFC-MSOLQXFVSA-N 2 0 362.514 3.063 20 0 FGADRP Clc1ccc(OCCCC[NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000422937749 500319981 /nfs/dbraw/zinc/31/99/81/500319981.db2.gz OOIDXBYUHZZLFV-IPMKNSEASA-N 2 0 352.906 3.246 20 0 FGADRP CCOC(=O)C1([C@@H](C)[NH2+][C@@H](c2ccc(OC)cc2)C2CC2)CC[NH2+]CC1 ZINC000422939558 500320526 /nfs/dbraw/zinc/32/05/26/500320526.db2.gz MBXYKHFSFXFLES-DNVCBOLYSA-N 2 0 360.498 3.057 20 0 FGADRP [NH3+]CC1CCC([NH2+]C[C@@H]2CCN(c3ccc(Br)cc3)C2)CC1 ZINC000422942450 500321024 /nfs/dbraw/zinc/32/10/24/500321024.db2.gz KFUAISMPJSDIAD-CKDBGZEDSA-N 2 0 366.347 3.383 20 0 FGADRP [NH3+][C@@H]1C[C@H]([NH2+]CCCC[NH+]2CCN(c3ccccc3)CC2)c2ccccc21 ZINC000422946064 500321673 /nfs/dbraw/zinc/32/16/73/500321673.db2.gz OFJVNIKCMDYTBC-PKTZIBPZSA-N 3 0 364.537 3.323 20 0 FGADRP C[C@H](CCC[NH3+])[NH2+]CC1(c2cccc(Br)c2)CCOCC1 ZINC000422947043 500321880 /nfs/dbraw/zinc/32/18/80/500321880.db2.gz POXLGZAZXWGPLG-CQSZACIVSA-N 2 0 355.320 3.214 20 0 FGADRP C[C@@H](NC(=O)[C@H](C)[NH+]1CCC2(CC[NH2+]C2)CC1)c1ccc2ccccc2c1 ZINC000431012855 500322855 /nfs/dbraw/zinc/32/28/55/500322855.db2.gz GTBZDOAVXKVCFI-MSOLQXFVSA-N 2 0 365.521 3.481 20 0 FGADRP Cc1ccc(Br)cc1NC(=O)CC[NH2+][C@@H]1CCCCC[C@H]1[NH3+] ZINC000422953139 500323003 /nfs/dbraw/zinc/32/30/03/500323003.db2.gz DITZNYDYYPAEKB-HUUCEWRRSA-N 2 0 368.319 3.336 20 0 FGADRP CCc1noc(-c2ccc(CC[NH2+][C@H](Cc3ccccc3)[C@@H](C)[NH3+])cc2)n1 ZINC000422952798 500323464 /nfs/dbraw/zinc/32/34/64/500323464.db2.gz DJHANLPNESVEEY-OXQOHEQNSA-N 2 0 364.493 3.390 20 0 FGADRP O=C(C[NH+]1CCC2(CC[NH2+]C2)CC1)NCC1(c2ccccc2)CCCCC1 ZINC000431024596 500325243 /nfs/dbraw/zinc/32/52/43/500325243.db2.gz AYJUQXNVCZMUSI-UHFFFAOYSA-N 2 0 369.553 3.080 20 0 FGADRP COc1cc([C@H](C)[NH2+][C@@H](C)C[C@H]2CCCCC[NH2+]2)ccc1OCCO ZINC000422974240 500326229 /nfs/dbraw/zinc/32/62/29/500326229.db2.gz QPAYFABOTRGMMI-XYJFISCASA-N 2 0 350.503 3.028 20 0 FGADRP CCOC(=O)C1([C@H](C)[NH2+]Cc2cc(Cl)sc2Cl)CC[NH2+]CC1 ZINC000422984895 500327275 /nfs/dbraw/zinc/32/72/75/500327275.db2.gz BOBBHULKJXXAQO-JTQLQIEISA-N 2 0 365.326 3.466 20 0 FGADRP CCOC(=O)C1([C@H](C)[NH2+][C@H]2CCC[C@@H]2OCc2ccccc2)CC[NH2+]CC1 ZINC000422986363 500327353 /nfs/dbraw/zinc/32/73/53/500327353.db2.gz CGKOJGDIMPICLI-IHPCNDPISA-N 2 0 374.525 3.035 20 0 FGADRP CC(C)C[N@@H+]1CCC[C@H](CN[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000423001398 500329650 /nfs/dbraw/zinc/32/96/50/500329650.db2.gz WWWHDVWFTUTNMY-KAGYGMCKSA-N 2 0 357.542 3.200 20 0 FGADRP C[C@@H]1C[NH+](CCOc2ccc(CC[NH2+][C@@H]3CC[NH2+]CC[C@@H]3C)cc2)C[C@H]1C ZINC000423019162 500331598 /nfs/dbraw/zinc/33/15/98/500331598.db2.gz UHLKEWFKEZGZGY-DZCCDHAISA-N 3 0 373.585 3.173 20 0 FGADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1 ZINC000423024547 500332447 /nfs/dbraw/zinc/33/24/47/500332447.db2.gz LYJBRPMLYYEUPB-SVIJTADQSA-N 2 0 360.452 3.223 20 0 FGADRP Cc1cc(Br)cn2cc(CC[NH2+][C@@H]3CCCCC[C@@H]3[NH3+])nc12 ZINC000423036475 500333663 /nfs/dbraw/zinc/33/36/63/500333663.db2.gz LDDUMHZQKVKESC-JKSUJKDBSA-N 2 0 365.319 3.197 20 0 FGADRP Fc1ccccc1NCCC[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423038423 500333809 /nfs/dbraw/zinc/33/38/09/500333809.db2.gz YSZPBZVZYQAWFF-TZIWHRDSSA-N 2 0 355.457 3.473 20 0 FGADRP COC[C@@H](CCC[NH3+])[NH2+]Cc1nc2c(s1)C[C@@H](c1ccccc1)CC2 ZINC000423043843 500334223 /nfs/dbraw/zinc/33/42/23/500334223.db2.gz ACXFOOOXOWICJZ-DLBZAZTESA-N 2 0 359.539 3.259 20 0 FGADRP FC(F)(F)c1ccc(C2(C[NH2+][C@@H]3CCOC[C@H]3[C@H]3CCC[NH2+]3)CC2)cc1 ZINC000423063376 500337410 /nfs/dbraw/zinc/33/74/10/500337410.db2.gz WGAYSOSXCRAHEA-RCCFBDPRSA-N 2 0 368.443 3.484 20 0 FGADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCCOc1ccc(C(F)(F)F)cn1 ZINC000423078487 500339468 /nfs/dbraw/zinc/33/94/68/500339468.db2.gz OPDZYFZSYJVQAJ-WMLDXEAASA-N 2 0 367.415 3.417 20 0 FGADRP FC(F)(F)c1ccc(OCCC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)nc1 ZINC000423077882 500339539 /nfs/dbraw/zinc/33/95/39/500339539.db2.gz NDCDVHCUXWCOIT-ARFHVFGLSA-N 2 0 357.420 3.380 20 0 FGADRP COC(=O)c1csc(-c2cccc(C[NH2+][C@@H]3CCCC[C@H]3C[NH3+])c2)n1 ZINC000423080922 500340111 /nfs/dbraw/zinc/34/01/11/500340111.db2.gz UAHIBGCPTYOQED-JKSUJKDBSA-N 2 0 359.495 3.204 20 0 FGADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCN(c2cccc(Br)c2)C1 ZINC000423088070 500340480 /nfs/dbraw/zinc/34/04/80/500340480.db2.gz PJJWESIHSBROFK-QRTARXTBSA-N 2 0 352.320 3.135 20 0 FGADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCN(c2cccc(Br)c2)C1 ZINC000423088068 500340615 /nfs/dbraw/zinc/34/06/15/500340615.db2.gz PJJWESIHSBROFK-JLJPHGGASA-N 2 0 352.320 3.135 20 0 FGADRP Cc1cc(C[NH2+][C@@H]2CC[NH2+]CC[C@H]2C)ccc1I ZINC000423101208 500342756 /nfs/dbraw/zinc/34/27/56/500342756.db2.gz VOPVBRAELJHASJ-IAQYHMDHSA-N 2 0 358.267 3.077 20 0 FGADRP CCOC(=O)C1([C@H](C)[NH2+][C@@H](C)c2ccc(SC)cc2)CC[NH2+]CC1 ZINC000423106962 500343038 /nfs/dbraw/zinc/34/30/38/500343038.db2.gz RYZULNYICPOGRR-GJZGRUSLSA-N 2 0 350.528 3.381 20 0 FGADRP CC[C@H](NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2)[C@@H]1CCC[NH2+]1 ZINC000423127569 500345789 /nfs/dbraw/zinc/34/57/89/500345789.db2.gz CCKWTZKFFOLJIJ-FKBYEOEOSA-N 3 0 371.569 3.035 20 0 FGADRP C[C@@H](CCCC[NH3+])[NH2+]Cc1c(Br)cncc1Br ZINC000423160341 500349842 /nfs/dbraw/zinc/34/98/42/500349842.db2.gz QOEVUZKCHFBIME-VIFPVBQESA-N 2 0 365.113 3.214 20 0 FGADRP Cc1c(Br)cccc1C[C@H](CO)C[NH2+][C@H]1CCCCC[C@@H]1[NH3+] ZINC000423160680 500349977 /nfs/dbraw/zinc/34/99/77/500349977.db2.gz MOVLCBMVFYOPAZ-WBAXXEDZSA-N 2 0 369.347 3.158 20 0 FGADRP C[C@@H]([NH2+]CCCN1CC[NH2+]CC1)c1cc2cc(Br)ccc2o1 ZINC000423176385 500351813 /nfs/dbraw/zinc/35/18/13/500351813.db2.gz BZKIRKYKDHRXQN-CYBMUJFWSA-N 2 0 366.303 3.141 20 0 FGADRP Cc1nc(-c2cc([C@H](C)[NH2+]CCCN3CC[NH2+]CC3)cs2)cs1 ZINC000423188400 500353469 /nfs/dbraw/zinc/35/34/69/500353469.db2.gz YYDUKHKJEAPTSM-ZDUSSCGKSA-N 2 0 350.557 3.126 20 0 FGADRP CC[C@@H]([NH2+]CCN1CC[NH2+]CC1)c1ccc(Br)cc1Cl ZINC000423204685 500354915 /nfs/dbraw/zinc/35/49/15/500354915.db2.gz ONIUUAXWIFVSBW-OAHLLOKOSA-N 2 0 360.727 3.048 20 0 FGADRP C[C@@H]([NH2+]CC[C@@H]1CC[NH2+]C1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000423252716 500358802 /nfs/dbraw/zinc/35/88/02/500358802.db2.gz UJVVTODGJBOLOZ-CVEARBPZSA-N 2 0 350.528 3.053 20 0 FGADRP C[NH+](C)[C@@H](CNC(=O)C(C)(C)[C@H]([NH3+])c1ccccc1)c1cccc(F)c1 ZINC000423315279 500363386 /nfs/dbraw/zinc/36/33/86/500363386.db2.gz ZKNKLZUPINRZNP-RBUKOAKNSA-N 2 0 357.473 3.271 20 0 FGADRP COCCC[C@@H]([NH2+]CC1=CC[NH2+]CC1)c1ccc(Br)cc1 ZINC000423348375 500366214 /nfs/dbraw/zinc/36/62/14/500366214.db2.gz SSMICHMMOVWTEV-QGZVFWFLSA-N 2 0 353.304 3.426 20 0 FGADRP COc1cccc(C[C@H](C)[NH2+][C@H]2CNCC[C@@H]2c2ccc(F)c(F)c2)n1 ZINC000423373284 500368331 /nfs/dbraw/zinc/36/83/31/500368331.db2.gz RUTRZRTVQPFBKN-CRFBAAHOSA-N 2 0 361.436 3.035 20 0 FGADRP C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)[C@@H]2[NH2+]CCCC2(C)C)CC1 ZINC000423383813 500369185 /nfs/dbraw/zinc/36/91/85/500369185.db2.gz PQARVHDEIMIWQX-FQEVSTJZSA-N 2 0 357.542 3.135 20 0 FGADRP [NH3+]C[C@@H](NC1CC[NH+](Cc2ccccn2)CC1)c1ccc2ccccc2c1 ZINC000423387131 500369558 /nfs/dbraw/zinc/36/95/58/500369558.db2.gz HOZNTAUMGCHKHM-HSZRJFAPSA-N 2 0 360.505 3.489 20 0 FGADRP CCOc1ccc([C@H](C)[NH2+]CC2(COC)CC[NH2+]CC2)cc1OCC ZINC000423388388 500369588 /nfs/dbraw/zinc/36/95/88/500369588.db2.gz KOHAPUAOTRHCLP-INIZCTEOSA-N 2 0 350.503 3.151 20 0 FGADRP C[C@@H]([NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1cc2c(s1)CCCC2 ZINC000423385468 500369724 /nfs/dbraw/zinc/36/97/24/500369724.db2.gz KRZBMBNSILSBCF-MLGOLLRUSA-N 2 0 361.477 3.114 20 0 FGADRP COCC1(C[NH2+][C@H]2CCc3cc(Br)cc(C)c32)CC[NH2+]CC1 ZINC000423403523 500370822 /nfs/dbraw/zinc/37/08/22/500370822.db2.gz HZKPDBARMWHOLW-INIZCTEOSA-N 2 0 367.331 3.351 20 0 FGADRP C[NH+](C)Cc1cc(CNC(=O)C(C)(C)[C@H]([NH3+])c2ccccc2)ccc1F ZINC000423410174 500371654 /nfs/dbraw/zinc/37/16/54/500371654.db2.gz RJXYFYMSHQHDJB-LJQANCHMSA-N 2 0 357.473 3.230 20 0 FGADRP C[C@H]([NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1)c1ccc(I)cc1 ZINC000423425309 500373574 /nfs/dbraw/zinc/37/35/74/500373574.db2.gz DKSVIOWIVPBGNL-KNXALSJPSA-N 2 0 370.278 3.330 20 0 FGADRP C[C@H](Nc1nc2ccc(F)cc2n1C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000431416051 500374363 /nfs/dbraw/zinc/37/43/63/500374363.db2.gz ULSIDNPFRVYXNK-RDJZCZTQSA-N 2 0 352.457 3.457 20 0 FGADRP CCCCc1ccc([C@@H](C)[NH2+][C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)cc1 ZINC000423452954 500375968 /nfs/dbraw/zinc/37/59/68/500375968.db2.gz KJPZIHIRPHXENM-CNDZOEFASA-N 2 0 357.542 3.327 20 0 FGADRP C[C@H](CCCc1cccnc1)[NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1 ZINC000423516041 500381072 /nfs/dbraw/zinc/38/10/72/500381072.db2.gz ANBZLNXVRSHAOV-HXUWFJFHSA-N 2 0 366.553 3.376 20 0 FGADRP c1ccc(C[N@@H+]2C[C@@H]3CC[C@@H](N[C@@H]4C[NH2+]C[C@H]4c4ccccc4)[C@H]3C2)cc1 ZINC000423525585 500382244 /nfs/dbraw/zinc/38/22/44/500382244.db2.gz KLWUUYBXMPDMDZ-ZROJVYTPSA-N 2 0 361.533 3.242 20 0 FGADRP [NH3+]C[C@H](Cc1ccccc1)[C@@H]1CCCCN1C(=O)c1ccc2c[nH+]cn2c1 ZINC000423619390 500389776 /nfs/dbraw/zinc/38/97/76/500389776.db2.gz YINNXYCOANEPOR-FPOVZHCZSA-N 2 0 362.477 3.147 20 0 FGADRP CN(C(=O)c1cccc(C[N@H+](C)Cc2ccccc2)c1)C1(C[NH3+])CCC1 ZINC000423696364 500395411 /nfs/dbraw/zinc/39/54/11/500395411.db2.gz HVGJQHUFIZWKLL-UHFFFAOYSA-N 2 0 351.494 3.272 20 0 FGADRP C[C@H]([NH3+])[C@H](C)C(=O)N(CCC[NH+](C)C)Cc1ccc(Cl)c(Cl)c1 ZINC000423763007 500400378 /nfs/dbraw/zinc/40/03/78/500400378.db2.gz QSBKIQJGZSWRGD-STQMWFEESA-N 2 0 360.329 3.257 20 0 FGADRP C[NH+](C)Cc1ccc(CNC(=O)C(C)(C)[C@H]([NH3+])c2ccccc2)cc1F ZINC000423850436 500411739 /nfs/dbraw/zinc/41/17/39/500411739.db2.gz SSNVAICFCAOUOF-LJQANCHMSA-N 2 0 357.473 3.230 20 0 FGADRP C[C@H](NC(=O)[C@@H]1CCCCCC[C@H]1[NH3+])[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423862236 500413709 /nfs/dbraw/zinc/41/37/09/500413709.db2.gz FUDPBXUTJJCGJZ-MJUUVYJYSA-N 2 0 357.542 3.311 20 0 FGADRP CC[N@H+](C)Cc1cccc(CNC(=O)C[C@H](c2ccccc2)[NH+](C)C)c1 ZINC000431728670 500416035 /nfs/dbraw/zinc/41/60/35/500416035.db2.gz OMWFKBXFTMHYPH-OAQYLSRUSA-N 2 0 353.510 3.448 20 0 FGADRP CC(C)[C@H](C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1)[C@@H](C)[NH3+] ZINC000423917984 500419066 /nfs/dbraw/zinc/41/90/66/500419066.db2.gz ZRORKTWXNMFHGS-WLRLJWMZSA-N 2 0 357.542 3.119 20 0 FGADRP Cc1ccccc1C[NH+]1CCC(NC(=O)CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000431757352 500420579 /nfs/dbraw/zinc/42/05/79/500420579.db2.gz CBYOQCAPRPMXDG-OAQYLSRUSA-N 2 0 357.542 3.340 20 0 FGADRP Cc1ccc([C@H](CNC(=O)C[C@@H](c2ccccc2)[NH+](C)C)[NH+](C)C)cc1 ZINC000431770861 500422498 /nfs/dbraw/zinc/42/24/98/500422498.db2.gz GXFJXWLWIBTQID-SFTDATJTSA-N 2 0 353.510 3.407 20 0 FGADRP C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)N[C@@H](C[NH3+])C(C)(C)C)c1 ZINC000423944831 500422600 /nfs/dbraw/zinc/42/26/00/500422600.db2.gz ABUXKKRDAMIYBW-FQEVSTJZSA-N 2 0 353.510 3.422 20 0 FGADRP COc1ccc([C@H](C[NH3+])C[N@@H+]2CCC[C@@H]2c2ccc3c(c2)OCO3)cc1 ZINC000420302546 500437424 /nfs/dbraw/zinc/43/74/24/500437424.db2.gz MOMSUPLVGUHOHZ-IEBWSBKVSA-N 2 0 354.450 3.303 20 0 FGADRP COc1ccc([C@@H](C[NH3+])C[N@H+](CCCO)[C@@H]2CCc3ccccc32)cc1 ZINC000420303062 500437529 /nfs/dbraw/zinc/43/75/29/500437529.db2.gz NAJMPDCQGOHLHQ-SIKLNZKXSA-N 2 0 354.494 3.109 20 0 FGADRP CCOC(=O)c1nc(-c2ccccc2)oc1C[NH+]1CCC([C@@H](C)[NH3+])CC1 ZINC000420305754 500438128 /nfs/dbraw/zinc/43/81/28/500438128.db2.gz ZINBJESPZTUMRO-CQSZACIVSA-N 2 0 357.454 3.078 20 0 FGADRP [NH3+]C1(CNC(=O)c2cc3ccccc3o2)CC[NH+](Cc2ccccc2)CC1 ZINC000424023198 500438261 /nfs/dbraw/zinc/43/82/61/500438261.db2.gz AQDBUWYXFPKPKZ-UHFFFAOYSA-N 2 0 363.461 3.156 20 0 FGADRP COc1ccc([C@H](C[NH3+])C[N@@H+]2CCC[C@H](C(=O)c3ccc(F)cc3)C2)cc1 ZINC000420310541 500439099 /nfs/dbraw/zinc/43/90/99/500439099.db2.gz VDKVOJJWQUVEBU-RBUKOAKNSA-N 2 0 370.468 3.472 20 0 FGADRP Fc1cc(Br)cc(OCC[N@@H+]2CCC3(C2)CC[NH2+]CC3)c1 ZINC000420316848 500440072 /nfs/dbraw/zinc/44/00/72/500440072.db2.gz YQFJVBHRNZZBTI-UHFFFAOYSA-N 2 0 357.267 3.043 20 0 FGADRP COc1ccc([C@@H](C[NH3+])CN2CC[NH2+]C[C@H]2c2cccc(Cl)c2)cc1 ZINC000420316261 500440137 /nfs/dbraw/zinc/44/01/37/500440137.db2.gz NARNIVCLGGGFLH-PXNSSMCTSA-N 2 0 359.901 3.037 20 0 FGADRP O=C([C@H](c1ccccc1)[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)N1CCCCC1 ZINC000420330553 500442521 /nfs/dbraw/zinc/44/25/21/500442521.db2.gz AUQXNJFNIZRBCA-NJYVYQBISA-N 2 0 355.526 3.062 20 0 FGADRP O=C(C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)Nc1ccccc1Cc1ccccc1 ZINC000420327536 500442736 /nfs/dbraw/zinc/44/27/36/500442736.db2.gz DDDNFJGAKKKMTK-OYRHEFFESA-N 2 0 363.505 3.147 20 0 FGADRP CCc1ccc([C@H](C)NC(=O)[C@H](C)[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000420331424 500443031 /nfs/dbraw/zinc/44/30/31/500443031.db2.gz BXORDXZSRLBSFW-PZBISTMVSA-N 2 0 357.542 3.136 20 0 FGADRP C[C@@H](NC(=O)C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1)c1ccc2ccccc2c1 ZINC000420340170 500444609 /nfs/dbraw/zinc/44/46/09/500444609.db2.gz MSPQKGBWOAEGIP-VGSWGCGISA-N 2 0 365.521 3.481 20 0 FGADRP COCc1cccc(OCC2(C[N@H+]3CC[C@H]4C[NH2+]C[C@H]4CC3)CCC2)c1 ZINC000420340426 500444876 /nfs/dbraw/zinc/44/48/76/500444876.db2.gz PDKMORHVUOUWIA-BGYRXZFFSA-N 2 0 358.526 3.314 20 0 FGADRP CC(C)C[C@H](NC(=O)C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1)c1ccccc1 ZINC000420344823 500445581 /nfs/dbraw/zinc/44/55/81/500445581.db2.gz USNVSMAGTGMPDG-RTWAWAEBSA-N 2 0 357.542 3.354 20 0 FGADRP CCCOc1ccc(OCC[NH+]2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)cc1 ZINC000420374509 500450229 /nfs/dbraw/zinc/45/02/29/500450229.db2.gz HKHMAGINFYBWAD-RTWAWAEBSA-N 2 0 362.514 3.073 20 0 FGADRP Cc1c(Br)cccc1C[NH+]1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000420390502 500454259 /nfs/dbraw/zinc/45/42/59/500454259.db2.gz NRQMOIFLTKRXFI-SJLPKXTDSA-N 2 0 367.331 3.476 20 0 FGADRP [NH3+][C@@H]1CCO[C@@H](C2CC[NH+](CCOc3ccccc3C(F)(F)F)CC2)C1 ZINC000420390444 500454293 /nfs/dbraw/zinc/45/42/93/500454293.db2.gz NKEQZZSWKBVXQE-CRAIPNDOSA-N 2 0 372.431 3.303 20 0 FGADRP C[N@H+](Cc1ccco1)Cc1ccccc1C[NH2+][C@@H]1CCN(C(C)(C)C)C1=O ZINC000424147947 500460080 /nfs/dbraw/zinc/46/00/80/500460080.db2.gz ZBIOUULSUYWQGL-HXUWFJFHSA-N 2 0 369.509 3.401 20 0 FGADRP COc1cccc(NC2CC[NH+](C[C@@H](C[NH3+])c3ccc(F)cc3)CC2)c1 ZINC000424275778 500479698 /nfs/dbraw/zinc/47/96/98/500479698.db2.gz AZRDNHOQDHMAHA-QGZVFWFLSA-N 2 0 357.473 3.453 20 0 FGADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H](Cc2ccncc2)c2cccs2)CC1 ZINC000424272405 500479901 /nfs/dbraw/zinc/47/99/01/500479901.db2.gz UCPRCYKHJCEATD-PKOBYXMFSA-N 2 0 358.555 3.043 20 0 FGADRP CC[NH+]1CCN(Cc2ccccc2C[NH2+][C@H]2C[C@@H]3C[C@H](OC)C[C@@H]3C2)CC1 ZINC000424274248 500480042 /nfs/dbraw/zinc/48/00/42/500480042.db2.gz YMVISCSHLIRNHT-YSVGVQOKSA-N 2 0 371.569 3.117 20 0 FGADRP C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)C[N@@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424284225 500480918 /nfs/dbraw/zinc/48/09/18/500480918.db2.gz DCWQSOAKKUMYRV-OALUTQOASA-N 2 0 369.553 3.278 20 0 FGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@@H](Cc2ccncc2)c2cccs2)CC1 ZINC000424293274 500482555 /nfs/dbraw/zinc/48/25/55/500482555.db2.gz CRWREYQUDZAYKF-ICSRJNTNSA-N 2 0 372.582 3.290 20 0 FGADRP C[C@H]1CC2(C[N@@H+]1CC(=O)N1CC[C@@H](C)Sc3ccccc31)CC[NH2+]CC2 ZINC000424298985 500483386 /nfs/dbraw/zinc/48/33/86/500483386.db2.gz VENKZJICLSBITB-DLBZAZTESA-N 2 0 373.566 3.368 20 0 FGADRP OC[C@H]1CCC[N@@H+]1CCCC[NH2+][C@H](Cc1ccncc1)c1cccs1 ZINC000424320885 500486242 /nfs/dbraw/zinc/48/62/42/500486242.db2.gz TVTNCISQTXIVHY-RTBURBONSA-N 2 0 359.539 3.253 20 0 FGADRP C[N@@H+]1CCN(CC[NH2+][C@@H](Cc2ccncc2)c2cccs2)CC1(C)C ZINC000424357151 500491106 /nfs/dbraw/zinc/49/11/06/500491106.db2.gz WCMDHOMNDNBIQK-SFHVURJKSA-N 2 0 358.555 3.043 20 0 FGADRP C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)N(C)C[C@H]3CCC[NH+]3C)cc2)C1 ZINC000420782091 500500010 /nfs/dbraw/zinc/50/00/10/500500010.db2.gz QHTWQNCPNPUCSR-WIYYLYMNSA-N 2 0 372.557 3.154 20 0 FGADRP C[C@@H]1C[N@H+](CCCNCc2cnn(-c3ccc(Cl)cc3)c2)CCCO1 ZINC000432346439 500502540 /nfs/dbraw/zinc/50/25/40/500502540.db2.gz JPEFPERBSSPPFC-MRXNPFEDSA-N 2 0 362.905 3.116 20 0 FGADRP Cc1cc(C[NH3+])cc(NC(=O)N[C@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)c1 ZINC000424443265 500506756 /nfs/dbraw/zinc/50/67/56/500506756.db2.gz JYWGPSBSSAZFEO-APWZRJJASA-N 2 0 352.482 3.411 20 0 FGADRP Cc1cc(CNC(=O)N[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)cc(C)n1 ZINC000420857573 500516972 /nfs/dbraw/zinc/51/69/72/500516972.db2.gz ZVBGERBPRASCBQ-XLIONFOSSA-N 2 0 352.482 3.161 20 0 FGADRP C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)N2CCCC[C@H]2C[NH3+])c1 ZINC000428548687 500525479 /nfs/dbraw/zinc/52/54/79/500525479.db2.gz RDBNTFSFYJHXKN-NRFANRHFSA-N 2 0 351.494 3.272 20 0 FGADRP CC[N@H+](CCNC(=O)N[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1)C(C)C ZINC000428695587 500545239 /nfs/dbraw/zinc/54/52/39/500545239.db2.gz WSNMKIJTZIXTRT-AZUAARDMSA-N 2 0 360.546 3.069 20 0 FGADRP CCCOc1cccc(C[N@@H+]2CCCN(C3CC[NH+](CC)CC3)CC2)c1 ZINC000420978585 500546604 /nfs/dbraw/zinc/54/66/04/500546604.db2.gz JDFJBDSFXJOPRC-UHFFFAOYSA-N 2 0 359.558 3.467 20 0 FGADRP CC[N@@H+]1CCCN(C(=O)NCc2ccc(C[NH+]3CCC[C@@H](C)C3)cc2)CC1 ZINC000428702444 500546679 /nfs/dbraw/zinc/54/66/79/500546679.db2.gz VNQMWCGTGGWMIY-LJQANCHMSA-N 2 0 372.557 3.156 20 0 FGADRP CC[NH+]1CCC(N2CCC[N@H+](CCCCOc3ccccc3)CC2)CC1 ZINC000420982028 500547111 /nfs/dbraw/zinc/54/71/11/500547111.db2.gz OFDVVCOOYBPKAL-UHFFFAOYSA-N 2 0 359.558 3.338 20 0 FGADRP O=C(NCC1([NH+]2CCCCC2)CCCCC1)[C@H]1C[NH2+]Cc2ccccc21 ZINC000582400540 506202666 /nfs/dbraw/zinc/20/26/66/506202666.db2.gz CDVMDZDWWHEVQZ-FQEVSTJZSA-N 2 0 355.526 3.178 20 0 FGADRP CC(C)[C@H](CNC(=O)NC1CCC(C[NH+](C)C)CC1)[NH+]1CCCCCC1 ZINC000442234026 500573739 /nfs/dbraw/zinc/57/37/39/500573739.db2.gz NJZLPYWRGNNLNM-MHJFOBGBSA-N 2 0 366.594 3.307 20 0 FGADRP [NH3+]C1CC[NH+](CCCC(=O)N2CCc3cc(Cl)cc(Cl)c3C2)CC1 ZINC000433115843 500629325 /nfs/dbraw/zinc/62/93/25/500629325.db2.gz JMJLGDKHNPTRQI-UHFFFAOYSA-N 2 0 370.324 3.081 20 0 FGADRP [NH3+]C1CC[NH+](CCCC(=O)N[C@@H]2CCSc3ccc(Cl)cc32)CC1 ZINC000433121212 500630935 /nfs/dbraw/zinc/63/09/35/500630935.db2.gz QXCPBULPVFWIHC-MRXNPFEDSA-N 2 0 367.946 3.196 20 0 FGADRP [NH3+]C1CC[NH+](CCCC(=O)N[C@H]2CCCC[C@@H]2Cc2ccccc2)CC1 ZINC000433127695 500631373 /nfs/dbraw/zinc/63/13/73/500631373.db2.gz IXYUPGQOWBAZEM-CTNGQTDRSA-N 2 0 357.542 3.107 20 0 FGADRP [NH3+]C1CC[NH+](CCCC(=O)N(Cc2cccc(F)c2)C2CCCC2)CC1 ZINC000433131927 500632327 /nfs/dbraw/zinc/63/23/27/500632327.db2.gz ASZDZPRDEUYVJY-UHFFFAOYSA-N 2 0 361.505 3.300 20 0 FGADRP C[C@@H](NC(=O)CCC[NH+]1CCC([NH3+])CC1)c1ccc(-c2cccnc2)cc1 ZINC000433137860 500633672 /nfs/dbraw/zinc/63/36/72/500633672.db2.gz VIFUGXKKCXMKLZ-QGZVFWFLSA-N 2 0 366.509 3.129 20 0 FGADRP CCC[NH+]1CCN(c2ccccc2C[NH2+][C@H]2CC[C@@H](C(=O)OCC)C2)CC1 ZINC000437350148 500634274 /nfs/dbraw/zinc/63/42/74/500634274.db2.gz XHRVQQFRDJLILD-QUCCMNQESA-N 2 0 373.541 3.040 20 0 FGADRP [NH3+]C1CC[NH+](CCCC(=O)N[C@@H]2CC3(CCCC3)Oc3ccccc32)CC1 ZINC000433150955 500634722 /nfs/dbraw/zinc/63/47/22/500634722.db2.gz YANNCFPGDBDJKQ-LJQANCHMSA-N 2 0 371.525 3.143 20 0 FGADRP Cc1ccc([C@@H](NC(=O)CCC[NH+]2CCC([NH3+])CC2)c2ccccc2)cc1 ZINC000433160596 500636477 /nfs/dbraw/zinc/63/64/77/500636477.db2.gz VWKOYRIRTDCPSJ-QHCPKHFHSA-N 2 0 365.521 3.404 20 0 FGADRP Cc1ccc([C@H](NC(=O)CCC[NH+]2CCC([NH3+])CC2)c2ccccc2)cc1 ZINC000433160595 500636671 /nfs/dbraw/zinc/63/66/71/500636671.db2.gz VWKOYRIRTDCPSJ-HSZRJFAPSA-N 2 0 365.521 3.404 20 0 FGADRP C[C@@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)c1ccc(OC(F)(F)F)cc1 ZINC000442875296 500638099 /nfs/dbraw/zinc/63/80/99/500638099.db2.gz NVHQEPFGSXMZNY-CQSZACIVSA-N 2 0 359.436 3.262 20 0 FGADRP Cc1nc(-c2cccc(NC(=O)C[N@@H+]3CCC[C@@H](CC[NH3+])C3)c2)cs1 ZINC000443058327 500670939 /nfs/dbraw/zinc/67/09/39/500670939.db2.gz KAYRGSRAOCFNRI-HNNXBMFYSA-N 2 0 358.511 3.118 20 0 FGADRP [NH3+]CC[C@H]1CCC[N@H+](CC(=O)N[C@H](c2ccc(F)cc2)C2CCCC2)C1 ZINC000443061678 500671287 /nfs/dbraw/zinc/67/12/87/500671287.db2.gz SDKHHXHOHCYTBD-IERDGZPVSA-N 2 0 361.505 3.234 20 0 FGADRP [NH3+]CC[C@H]1CCC[N@H+](CC(=O)Nc2ccccc2Oc2ccccc2)C1 ZINC000443061686 500671575 /nfs/dbraw/zinc/67/15/75/500671575.db2.gz SDMOCULJDAQGGC-QGZVFWFLSA-N 2 0 353.466 3.478 20 0 FGADRP C[NH+](C)[C@@H](CC(=O)N(Cc1ccco1)C1CC[NH+](C)CC1)c1ccccc1 ZINC000433344896 500677106 /nfs/dbraw/zinc/67/71/06/500677106.db2.gz VFJYWVWAQJOQJN-NRFANRHFSA-N 2 0 369.509 3.395 20 0 FGADRP Cc1ccc([C@H](CNC(=O)NC[C@@H]2CCC[N@@H+](CC(C)C)C2)[NH+](C)C)cc1 ZINC000448215799 500734057 /nfs/dbraw/zinc/73/40/57/500734057.db2.gz ZTRHTDICBWLALF-FPOVZHCZSA-N 2 0 374.573 3.265 20 0 FGADRP Cc1cccc(OC[C@@H](O)C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)c1 ZINC000443599569 500743905 /nfs/dbraw/zinc/74/39/05/500743905.db2.gz HAVRBLOHEFQFLI-NRFANRHFSA-N 2 0 360.542 3.323 20 0 FGADRP CC(C)[NH+]1CCC([N@H+](C)C[C@H](O)Cc2ccccc2C(F)(F)F)CC1 ZINC000443628976 500747053 /nfs/dbraw/zinc/74/70/53/500747053.db2.gz GQJZPORTNLXWQM-QGZVFWFLSA-N 2 0 358.448 3.413 20 0 FGADRP O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000433940271 500768185 /nfs/dbraw/zinc/76/81/85/500768185.db2.gz KQCJJHVFCYFDLG-NHCUHLMSSA-N 2 0 370.541 3.140 20 0 FGADRP O=C(NC[C@@H]1CCC[N@@H+]1C1CCCCC1)N1CCC([NH+]2CCCC2)CC1 ZINC000438332460 500771782 /nfs/dbraw/zinc/77/17/82/500771782.db2.gz QXEMUHPEZPORAI-FQEVSTJZSA-N 2 0 362.562 3.053 20 0 FGADRP CC(C)[C@H]1CC[N@@H+]([C@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000438482299 500790897 /nfs/dbraw/zinc/79/08/97/500790897.db2.gz KSTXEWDGBMMXJK-QUCCMNQESA-N 2 0 357.542 3.134 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CCCc1sccc1C ZINC000438912201 500834565 /nfs/dbraw/zinc/83/45/65/500834565.db2.gz NYNBHASONLZVLP-GOSISDBHSA-N 2 0 365.587 3.254 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N1[C@@H]2CC[C@H]1C[N@H+](CC)CC2)c1ccccc1 ZINC000439253818 500874830 /nfs/dbraw/zinc/87/48/30/500874830.db2.gz BREWKAUWIWRUQI-QHAWAJNXSA-N 2 0 372.557 3.338 20 0 FGADRP C[C@H]1[NH2+]CCN(C(=O)c2cccc(C[N@H+](C)Cc3ccccc3)c2)[C@@H]1C ZINC000434673558 500877382 /nfs/dbraw/zinc/87/73/82/500877382.db2.gz QWJZBDKEDQMESD-QZTJIDSGSA-N 2 0 351.494 3.141 20 0 FGADRP Cc1cccc(C[NH+]2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)c1F ZINC000449022744 500901188 /nfs/dbraw/zinc/90/11/88/500901188.db2.gz ZOBVYKDGZRQSFL-UHFFFAOYSA-N 2 0 363.521 3.050 20 0 FGADRP C[C@@]1(CCc2ccccc2)CC[N@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000434907444 500911081 /nfs/dbraw/zinc/91/10/81/500911081.db2.gz RRJAHLNXABIUMW-HSZRJFAPSA-N 2 0 369.553 3.074 20 0 FGADRP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(I)cc2)C1 ZINC000449091487 500923048 /nfs/dbraw/zinc/92/30/48/500923048.db2.gz JTHVRWHGOHMOAK-AWEZNQCLSA-N 2 0 358.267 3.113 20 0 FGADRP C[C@H]([NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1)[C@@H]1CCCC[C@H]1C ZINC000449120162 500929669 /nfs/dbraw/zinc/92/96/69/500929669.db2.gz CBFSKGMQMOKVDL-HSALFYBXSA-N 2 0 359.562 3.183 20 0 FGADRP Cc1ccccc1-c1ccccc1C[NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000449134562 500932794 /nfs/dbraw/zinc/93/27/94/500932794.db2.gz KCOXBQUFIVIKRB-HXUWFJFHSA-N 2 0 365.521 3.339 20 0 FGADRP CCOC(=O)c1cc(C[NH2+]Cc2cccc(C[NH+]3CCCC3)c2)[nH]c1C ZINC000449217574 500950418 /nfs/dbraw/zinc/95/04/18/500950418.db2.gz ABLCUIRTILRDMD-UHFFFAOYSA-N 2 0 355.482 3.385 20 0 FGADRP Cc1cc(Br)c(C[NH2+]CCCN2CC[NH+](C)CC2)cc1Cl ZINC000449221955 500950924 /nfs/dbraw/zinc/95/09/24/500950924.db2.gz UYSYXUREMTUURI-UHFFFAOYSA-N 2 0 374.754 3.138 20 0 FGADRP O=C(NCC[NH+]1CCCC1)c1ccc(C[NH2+][C@H]2CCCC23CCC3)cc1 ZINC000449227263 500952478 /nfs/dbraw/zinc/95/24/78/500952478.db2.gz UCKOZFDSVIDVNQ-FQEVSTJZSA-N 2 0 355.526 3.325 20 0 FGADRP COc1cc(C[NH2+]Cc2ccnc(OCC[NH+](C)C)c2)cc2ccccc21 ZINC000449226487 500952494 /nfs/dbraw/zinc/95/24/94/500952494.db2.gz XLHXYJNRMOSCMH-UHFFFAOYSA-N 2 0 365.477 3.474 20 0 FGADRP COc1cc(F)cc(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)c1 ZINC000449230391 500953082 /nfs/dbraw/zinc/95/30/82/500953082.db2.gz KJUJDYNBANUHCP-UHFFFAOYSA-N 2 0 350.478 3.159 20 0 FGADRP Cc1cccn2cc(COc3ccc(C[N@H+]4CC[C@@H]([C@@H](C)[NH3+])C4)cc3)nc12 ZINC000435373375 500961628 /nfs/dbraw/zinc/96/16/28/500961628.db2.gz MXQZLOGTJLXSRK-IEBWSBKVSA-N 2 0 364.493 3.391 20 0 FGADRP COc1ccc(Cn2nc(C)c(C[NH+]3CCC([C@H](C)[NH3+])CC3)c2C)cc1 ZINC000435374763 500962058 /nfs/dbraw/zinc/96/20/58/500962058.db2.gz YEIJQQLUTFZXSV-HNNXBMFYSA-N 2 0 356.514 3.116 20 0 FGADRP CC[NH2+]CC1CC[NH+](Cc2ccc(OC)c3oc(C(=O)OC)cc32)CC1 ZINC000435374240 500962487 /nfs/dbraw/zinc/96/24/87/500962487.db2.gz XBLUFYXMTFVJGO-UHFFFAOYSA-N 2 0 360.454 3.050 20 0 FGADRP CCN(Cc1cn(-c2ccc(F)cc2Cl)nn1)[C@@H]1CCC[NH2+]CC1 ZINC000435385602 500965368 /nfs/dbraw/zinc/96/53/68/500965368.db2.gz QNPLYFDBOPSAII-OAHLLOKOSA-N 2 0 351.857 3.024 20 0 FGADRP c1ccc(CN(Cc2ccc(N3CCCC3)nc2)[C@@H]2CCC[NH2+]CC2)nc1 ZINC000435391064 500966842 /nfs/dbraw/zinc/96/68/42/500966842.db2.gz CZRAQAVCURNGIU-OAQYLSRUSA-N 2 0 365.525 3.221 20 0 FGADRP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@@H]2CCC(=O)N[C@H]2C(C)(C)C)CC1 ZINC000449318178 500976210 /nfs/dbraw/zinc/97/62/10/500976210.db2.gz FOXZRQYVSQIJOJ-UCNVEGJOSA-N 2 0 371.569 3.365 20 0 FGADRP COc1cc(C[N@@H+]2CCN(C3CC[NH+](C)CC3)[C@@H](C)C2)cc2ccccc21 ZINC000449325157 500978009 /nfs/dbraw/zinc/97/80/09/500978009.db2.gz KJCDYUPLHKSMIL-SFHVURJKSA-N 2 0 367.537 3.449 20 0 FGADRP O=C(NCc1ccccc1C[NH+]1CCCC1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000440155786 500982248 /nfs/dbraw/zinc/98/22/48/500982248.db2.gz BLRIYTVCZOTABV-OAQYLSRUSA-N 2 0 355.526 3.306 20 0 FGADRP CC[N@H+](CCC(=O)Nc1cccc(Br)c1)[C@H]1CCC[NH2+]CC1 ZINC000435630580 501004383 /nfs/dbraw/zinc/00/43/83/501004383.db2.gz XMSCNRYOCJETKQ-INIZCTEOSA-N 2 0 368.319 3.242 20 0 FGADRP CCC[NH+]1CCN(c2ccccc2C[NH2+][C@@H]([C@H](CO)C2CC2)C2CC2)CC1 ZINC000449503958 501019382 /nfs/dbraw/zinc/01/93/82/501019382.db2.gz IOSCKZJGCLXOJQ-FYYLOGMGSA-N 2 0 371.569 3.105 20 0 FGADRP C[NH+](C)CCCC(C)(C)[NH2+]Cc1cnc2ccc(Br)cn12 ZINC000449527899 501025308 /nfs/dbraw/zinc/02/53/08/501025308.db2.gz LUBXFBJBCSXKSR-UHFFFAOYSA-N 2 0 353.308 3.307 20 0 FGADRP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)NCC1([NH+](C)C)CCC1 ZINC000445846265 501040553 /nfs/dbraw/zinc/04/05/53/501040553.db2.gz GHBVIGFSOUMDTL-SFHVURJKSA-N 2 0 372.557 3.345 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)NC2CCC(C[NH+](C)C)CC2)C1 ZINC000440819574 501052209 /nfs/dbraw/zinc/05/22/09/501052209.db2.gz MNOAZVFPQXYIKI-LPOKXYRGSA-N 2 0 366.594 3.163 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000445974211 501056818 /nfs/dbraw/zinc/05/68/18/501056818.db2.gz KFDYKBKFKFLZID-QUCCMNQESA-N 2 0 372.557 3.023 20 0 FGADRP CN(c1ccccc1C[N@@H+]1CCC[C@@]2(CCOC2)C1)C1CC[NH+](C)CC1 ZINC000449687544 501063008 /nfs/dbraw/zinc/06/30/08/501063008.db2.gz PUYGFOVYMAPJAP-JOCHJYFZSA-N 2 0 357.542 3.220 20 0 FGADRP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@@H+]1CCCc1cccc2ccccc21 ZINC000436055141 501063571 /nfs/dbraw/zinc/06/35/71/501063571.db2.gz QYFWOQRSZSCXDB-FQEVSTJZSA-N 2 0 353.510 3.092 20 0 FGADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2ccc(C(=O)OC)c(Cl)c2)C1 ZINC000450450601 501124398 /nfs/dbraw/zinc/12/43/98/501124398.db2.gz FGNCLZYANIRFTO-MRXNPFEDSA-N 2 0 368.905 3.059 20 0 FGADRP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)Nc1ccccc1CC[NH+](C)C ZINC000446582373 501137516 /nfs/dbraw/zinc/13/75/16/501137516.db2.gz XHFZWPROKMTOJX-GOSISDBHSA-N 2 0 368.525 3.433 20 0 FGADRP CCC(CC)[C@H](CNC(=O)N(C)CC1([NH+](C)C)CCC1)[NH+]1CCCC1 ZINC000446587926 501138507 /nfs/dbraw/zinc/13/85/07/501138507.db2.gz WDKDGSJHBWTKDK-SFHVURJKSA-N 2 0 352.567 3.013 20 0 FGADRP C[C@@H]1C[C@H](N(C)C(=O)NCC2([NH+](C)C)CCC2)CC[N@@H+]1Cc1ccccc1 ZINC000446619624 501142872 /nfs/dbraw/zinc/14/28/72/501142872.db2.gz HTZJZRNWCIXOIK-UYAOXDASSA-N 2 0 372.557 3.165 20 0 FGADRP CC1CCC([NH+]2CCN(C(=O)NC3CCC(C[NH+](C)C)CC3)CC2)CC1 ZINC000441522097 501151163 /nfs/dbraw/zinc/15/11/63/501151163.db2.gz JJMJIBHFVRNEMP-UHFFFAOYSA-N 2 0 364.578 3.013 20 0 FGADRP COc1ccc([C@@H](CCn2cncn2)[NH2+]CCC[N@@H+]2CCCC[C@H]2C)cc1 ZINC000446750351 501160780 /nfs/dbraw/zinc/16/07/80/501160780.db2.gz GINSWFNGDNSHLI-WIYYLYMNSA-N 2 0 371.529 3.272 20 0 FGADRP COC[C@@H]([NH2+]CCCN1CC[N@H+](C)C[C@@H]1c1ccccc1)C1CCCC1 ZINC000446758968 501162666 /nfs/dbraw/zinc/16/26/66/501162666.db2.gz MLNNSAWZKIRNAX-FGZHOGPDSA-N 2 0 359.558 3.160 20 0 FGADRP O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000592774509 506238134 /nfs/dbraw/zinc/23/81/34/506238134.db2.gz UYPMPVDUALIRMI-WOJBJXKFSA-N 2 0 355.526 3.032 20 0 FGADRP COc1ccc([C@@H](CCn2cncn2)[NH2+]C[C@@H]2CCC[N@@H+](C(C)C)C2)cc1 ZINC000446840433 501172020 /nfs/dbraw/zinc/17/20/20/501172020.db2.gz YYRHHMWQJJAKCS-GHTZIAJQSA-N 2 0 371.529 3.128 20 0 FGADRP COc1ccc(Br)c(C[NH2+]CC2CC[NH+](C3CC3)CC2)c1 ZINC000446887101 501177566 /nfs/dbraw/zinc/17/75/66/501177566.db2.gz OASNYGABUGOQMK-UHFFFAOYSA-N 2 0 353.304 3.422 20 0 FGADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000447035711 501196443 /nfs/dbraw/zinc/19/64/43/501196443.db2.gz DBBJVJXCIZIGED-ICSRJNTNSA-N 2 0 364.578 3.061 20 0 FGADRP Cc1cccc(N2CC[NH+](CCCC[NH2+][C@@H](C)c3ccncn3)CC2)c1 ZINC000453059574 501260427 /nfs/dbraw/zinc/26/04/27/501260427.db2.gz BJOPYUBHWGVMDI-IBGZPJMESA-N 2 0 353.514 3.038 20 0 FGADRP CC[C@H](C)NC(=O)CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000453087038 501265877 /nfs/dbraw/zinc/26/58/77/501265877.db2.gz VHNXDPRYCARPBN-MJUUVYJYSA-N 2 0 357.542 3.324 20 0 FGADRP Cn1cc(CCC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)cn1 ZINC000453084853 501265912 /nfs/dbraw/zinc/26/59/12/501265912.db2.gz GIOOKNYPCHUTJR-VSKRKVRLSA-N 2 0 352.526 3.386 20 0 FGADRP C[C@@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)c1cc(-c2ccccc2)nn1C ZINC000453106889 501270433 /nfs/dbraw/zinc/27/04/33/501270433.db2.gz JLTVRADDIDMKSX-GOSISDBHSA-N 2 0 369.557 3.011 20 0 FGADRP C[C@H](CCCc1cccnc1)[NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000453122095 501273302 /nfs/dbraw/zinc/27/33/02/501273302.db2.gz FSBQRTHUHWWPCH-GOSISDBHSA-N 2 0 374.573 3.009 20 0 FGADRP c1ccc(C[N@H+]2CC[C@H]([NH2+]CCCO[C@@H]3CCOC3)[C@H]3CCC[C@H]32)cc1 ZINC000453134707 501276257 /nfs/dbraw/zinc/27/62/57/501276257.db2.gz SMNGFVOBROFRTO-YUMYIRISSA-N 2 0 358.526 3.215 20 0 FGADRP c1ccc(C[N@H+]2CC[C@H]([NH2+]CCCO[C@@H]3CCOC3)[C@@H]3CCC[C@@H]32)cc1 ZINC000453134705 501276622 /nfs/dbraw/zinc/27/66/22/501276622.db2.gz SMNGFVOBROFRTO-MLNNCEHLSA-N 2 0 358.526 3.215 20 0 FGADRP CC[N@@H+]1CCC[C@@H](CNC(=O)NCC2([NH+](C)Cc3ccccc3)CCC2)C1 ZINC000455343138 501276919 /nfs/dbraw/zinc/27/69/19/501276919.db2.gz YSZKPFLNRHXUPO-FQEVSTJZSA-N 2 0 372.557 3.072 20 0 FGADRP CN(C)c1nccc(CN[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)n1 ZINC000453167455 501283123 /nfs/dbraw/zinc/28/31/23/501283123.db2.gz RPUXVDFAFJUAEI-NJDAHSKKSA-N 2 0 365.525 3.075 20 0 FGADRP c1cn2c(n1)C[C@H]([NH2+][C@H]1CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]31)CC2 ZINC000453205238 501290776 /nfs/dbraw/zinc/29/07/76/501290776.db2.gz SXQSUXBBFMRAKG-MXEMCNAFSA-N 2 0 350.510 3.231 20 0 FGADRP COC[C@](C)(O)CC[NH2+][C@@H]1CCCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000453250329 501299295 /nfs/dbraw/zinc/29/92/95/501299295.db2.gz HCZURQDIIOKPCM-GXRSIYKFSA-N 2 0 360.542 3.054 20 0 FGADRP CO[C@@H]1COCC[C@@H]1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000453318811 501314190 /nfs/dbraw/zinc/31/41/90/501314190.db2.gz LMZZSLMJSYRUQU-PVIWCNJMSA-N 2 0 358.526 3.071 20 0 FGADRP C[C@@H]1C[C@H](NC(=O)N2CCC(CCC[NH+]3CCCC3)CC2)c2nccn21 ZINC000455484917 501315358 /nfs/dbraw/zinc/31/53/58/501315358.db2.gz NJURBNQCQFHVKW-AEFFLSMTSA-N 2 0 359.518 3.187 20 0 FGADRP Cc1cc(C)c(NC(=O)NCc2ccccc2OCC[NH+](C)C)c(C)n1 ZINC000455489590 501316501 /nfs/dbraw/zinc/31/65/01/501316501.db2.gz VRVXCBHBRASRIY-UHFFFAOYSA-N 2 0 356.470 3.269 20 0 FGADRP CO[C@@H]1CC[N@H+](Cc2ccc(C[NH+]3CC[C@H](OC)[C@@H](C)C3)cc2)C[C@H]1C ZINC000451574684 501328462 /nfs/dbraw/zinc/32/84/62/501328462.db2.gz RUXGPSBUOFHTJR-VVIORFSUSA-N 2 0 360.542 3.400 20 0 FGADRP COC(=O)c1cccc2c1CC[N@H+](Cc1cc(-n3ccnc3)cs1)C2 ZINC000453594775 501356735 /nfs/dbraw/zinc/35/67/35/501356735.db2.gz GBEVODRIFFEDKI-UHFFFAOYSA-N 2 0 353.447 3.279 20 0 FGADRP Cc1cc(Br)c(C[NH2+]CCCC[N@@H+]2CCC[C@H]2CO)s1 ZINC000453596612 501357396 /nfs/dbraw/zinc/35/73/96/501357396.db2.gz XFNXXOGNBYVVDE-ZDUSSCGKSA-N 2 0 361.349 3.146 20 0 FGADRP Cc1cc(NC(=O)[C@H](Cc2ccccc2)[NH+](C)C)ccc1OCC[NH+](C)C ZINC000458192343 501388803 /nfs/dbraw/zinc/38/88/03/501388803.db2.gz HLGGPEHHHQESNO-FQEVSTJZSA-N 2 0 369.509 3.047 20 0 FGADRP C[NH+](C)[C@@H]1CCc2cc(NC(=O)N3CCC[C@H]([NH+]4CCCC4)C3)ccc21 ZINC000455904287 501411648 /nfs/dbraw/zinc/41/16/48/501411648.db2.gz HDTSFANWSBPWAN-AZUAARDMSA-N 2 0 356.514 3.328 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)[C@H](C)C1 ZINC000455944822 501422684 /nfs/dbraw/zinc/42/26/84/501422684.db2.gz WBFLLKVGDKSTDK-UIAACRFSSA-N 2 0 358.530 3.430 20 0 FGADRP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000455950534 501424168 /nfs/dbraw/zinc/42/41/68/501424168.db2.gz ZSDAHPKWYCSJMH-QWFCFKBJSA-N 2 0 356.514 3.326 20 0 FGADRP CSC1(C[NH2+]Cc2cc(C)c(Br)cn2)CC[NH+](C)CC1 ZINC000598973363 506254851 /nfs/dbraw/zinc/25/48/51/506254851.db2.gz GAZABRHLLGZNHP-UHFFFAOYSA-N 2 0 358.349 3.070 20 0 FGADRP CCCC[N@H+](CC)Cc1cccc(CNC(=O)N2C[C@@H]3CC[NH+](C)[C@@H]3C2)c1 ZINC000458536497 501468721 /nfs/dbraw/zinc/46/87/21/501468721.db2.gz GLTRBBOMQCYQMR-LEWJYISDSA-N 2 0 372.557 3.154 20 0 FGADRP CC(C)[NH+]1CCC(C(=O)NCC2([N@H+](C)Cc3ccccc3)CCC2)CC1 ZINC000452730404 501552724 /nfs/dbraw/zinc/55/27/24/501552724.db2.gz MIZCBIZOKWPYEK-UHFFFAOYSA-N 2 0 357.542 3.278 20 0 FGADRP CC[N@H+](C)C[C@H]1CCN(C(=O)NCC2([NH+](C)Cc3ccccc3)CCC2)C1 ZINC000458977055 501569325 /nfs/dbraw/zinc/56/93/25/501569325.db2.gz OSCUZAPKKWJBSJ-HXUWFJFHSA-N 2 0 372.557 3.024 20 0 FGADRP CC[NH+](CC)CCN(CC(C)C)C(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000459116349 501596876 /nfs/dbraw/zinc/59/68/76/501596876.db2.gz UPGIANICWGWZPD-UHFFFAOYSA-N 2 0 352.567 3.013 20 0 FGADRP CC1(C)C[N@H+](CC2(O)CCOCC2)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000453017296 501602203 /nfs/dbraw/zinc/60/22/03/501602203.db2.gz NALWYTFSIHEKFX-OAQYLSRUSA-N 2 0 372.553 3.151 20 0 FGADRP CC[C@H](C[NH2+]C1CCN(c2cc[nH+]cc2)CC1)N1CCc2ccccc2C1 ZINC000459380970 501642699 /nfs/dbraw/zinc/64/26/99/501642699.db2.gz CKAKZZYXNIYYNP-JOCHJYFZSA-N 3 0 364.537 3.477 20 0 FGADRP C[NH+]1CCC([C@@H]2CC[N@H+](Cc3cccc(O)c3Br)C2)CC1 ZINC000459551276 501675239 /nfs/dbraw/zinc/67/52/39/501675239.db2.gz NACLOEFPJFPJBS-CQSZACIVSA-N 2 0 353.304 3.318 20 0 FGADRP Fc1cccc(-n2cccn2)c1C[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000459579510 501680600 /nfs/dbraw/zinc/68/06/00/501680600.db2.gz YRRHPELMTWQMHI-UHFFFAOYSA-N 2 0 351.429 3.165 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)NCc1ccc2c[nH+]cn2c1)c1ccccc1 ZINC000457462470 501703457 /nfs/dbraw/zinc/70/34/57/501703457.db2.gz UCBQPGQMGIJZRG-HXUWFJFHSA-N 2 0 365.481 3.217 20 0 FGADRP C[NH+](C)CCCC(C)(C)NC(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000457483650 501707687 /nfs/dbraw/zinc/70/76/87/501707687.db2.gz GCCSWTSRMPZEEE-MRXNPFEDSA-N 2 0 366.575 3.305 20 0 FGADRP CCCC[N@H+](C)C[C@H](C)NC(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000460114524 501728440 /nfs/dbraw/zinc/72/84/40/501728440.db2.gz LHNIJCNMQMOECH-IBGZPJMESA-N 2 0 374.573 3.318 20 0 FGADRP CO[C@H]1C[N@H+](Cc2cccc(C[NH+]3CC[C@H](C)[C@H](OC)C3)c2)CC[C@@H]1C ZINC000467290339 501759577 /nfs/dbraw/zinc/75/95/77/501759577.db2.gz IECUIIULYWIBNO-YHDSQAASSA-N 2 0 360.542 3.400 20 0 FGADRP CO[C@@H]1C[NH+](Cc2ccccc2C[N@@H+]2CC[C@H](C)[C@H](OC)C2)CC[C@@H]1C ZINC000467289164 501760253 /nfs/dbraw/zinc/76/02/53/501760253.db2.gz MCBDRGZJGUPVBR-MOXQZVSFSA-N 2 0 360.542 3.400 20 0 FGADRP CC(C)[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCC[NH+](Cc3cccc(F)c3)C2)C1 ZINC000470672186 501761701 /nfs/dbraw/zinc/76/17/01/501761701.db2.gz BRADVQRYFWJSGI-AZUAARDMSA-N 2 0 361.505 3.027 20 0 FGADRP Cc1cc(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)ccc1I ZINC000467373396 501780200 /nfs/dbraw/zinc/78/02/00/501780200.db2.gz LZSSPLBAFMUEJW-DVOMOZLQSA-N 2 0 372.294 3.418 20 0 FGADRP COc1ccc2nc(C[NH2+]CCCC[N@H+]3C[C@@H](C)O[C@@H](C)C3)sc2c1 ZINC000474346030 501799280 /nfs/dbraw/zinc/79/92/80/501799280.db2.gz PCTJQJROSWKKDI-GASCZTMLSA-N 2 0 363.527 3.284 20 0 FGADRP C[C@@H]1C[NH+](CCCCC[N@H+]2C[C@H](C)O[C@@H](C3CC3)C2)C[C@@H](C2CC2)O1 ZINC000470921799 501855909 /nfs/dbraw/zinc/85/59/09/501855909.db2.gz CRZRDYQMRZAGSM-BTYSMDAFSA-N 2 0 350.547 3.155 20 0 FGADRP COC(=O)C(C)(C)CC[NH2+]CC1CC[NH+](Cc2ccc(OC)cc2)CC1 ZINC000474594753 501886572 /nfs/dbraw/zinc/88/65/72/501886572.db2.gz BKZLHKMJZCHESP-UHFFFAOYSA-N 2 0 362.514 3.086 20 0 FGADRP c1cnn(-c2ccc(C[NH+]3C[C@H]4C[N@H+](Cc5ccccc5)C[C@H]4C3)cc2)c1 ZINC000471018956 501892578 /nfs/dbraw/zinc/89/25/78/501892578.db2.gz NGBPXANDGCDCCI-SZPZYZBQSA-N 2 0 358.489 3.436 20 0 FGADRP CC[C@H](CNC(=O)c1ccccc1C[NH+](C)C)[N@@H+]1CCc2ccccc2C1 ZINC000485666026 501894079 /nfs/dbraw/zinc/89/40/79/501894079.db2.gz NMNVOAZRLZSGGD-OAQYLSRUSA-N 2 0 365.521 3.315 20 0 FGADRP O=C(CC[N@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1)NCC1CCCCC1 ZINC000471025350 501895056 /nfs/dbraw/zinc/89/50/56/501895056.db2.gz LHHVDEZWOKPTPT-SZPZYZBQSA-N 2 0 369.553 3.137 20 0 FGADRP c1ccc(C[NH+]2CCN(CC[NH2+][C@@H](c3cccnc3)C3CCC3)CC2)cc1 ZINC000481930978 501922676 /nfs/dbraw/zinc/92/26/76/501922676.db2.gz HXSSUVWSZWLOIM-HSZRJFAPSA-N 2 0 364.537 3.330 20 0 FGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)Nc1cc(C)cc(N2CC[NH+](C(C)C)CC2)c1 ZINC000482033024 501952333 /nfs/dbraw/zinc/95/23/33/501952333.db2.gz REPHFSLIFCLWED-OAQYLSRUSA-N 2 0 372.557 3.338 20 0 FGADRP CC(C)(CNC(=O)NC1CC[NH+](CC2CCCC2)CC1)C[NH+]1CCCC1 ZINC000478410885 501973431 /nfs/dbraw/zinc/97/34/31/501973431.db2.gz XBJISTCHRZGBRC-UHFFFAOYSA-N 2 0 364.578 3.062 20 0 FGADRP C[C@H]1C[N@H+](CCOc2ccc(CC[NH2+][C@@H]3CCOC[C@H]3C)cc2)C[C@H]1C ZINC000474876035 501978101 /nfs/dbraw/zinc/97/81/01/501978101.db2.gz IWPLOZVRMKQHDD-VQQMMKBISA-N 2 0 360.542 3.210 20 0 FGADRP COC(=O)C[C@@H]1CC[C@H]([NH2+][C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)[C@H]1C ZINC000474939391 501998814 /nfs/dbraw/zinc/99/88/14/501998814.db2.gz AWDHVLSAVQYKFM-ZZEDZQHJSA-N 2 0 358.526 3.464 20 0 FGADRP COc1ccc2oc([C@@H](C)[NH2+][C@@H](C)CCN3CC[NH+](C)CC3)c(C)c2c1 ZINC000471582219 502073234 /nfs/dbraw/zinc/07/32/34/502073234.db2.gz UFOPLSFLOQIPJX-DOTOQJQBSA-N 2 0 359.514 3.426 20 0 FGADRP Cc1ccccc1[C@@H]([NH2+]CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)C1CC1 ZINC000475136460 502075344 /nfs/dbraw/zinc/07/53/44/502075344.db2.gz HSMCZQLKROVPTI-GMAHTHKFSA-N 2 0 365.521 3.455 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@@H](C)c1cc2ccccc2o1 ZINC000482526054 502100310 /nfs/dbraw/zinc/10/03/10/502100310.db2.gz SMULXXFKAZXGSZ-HKUYNNGSSA-N 2 0 371.525 3.411 20 0 FGADRP O=C([C@@H]1CCC[N@H+](Cc2ccccc2)C1)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000461438094 502114464 /nfs/dbraw/zinc/11/44/64/502114464.db2.gz KFSSSFUSZNIZGQ-FGZHOGPDSA-N 2 0 369.553 3.233 20 0 FGADRP C[C@H](CC[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1)OCc1ccccc1 ZINC000475316822 502132421 /nfs/dbraw/zinc/13/24/21/502132421.db2.gz MIUZPPZPWVASJV-OAQYLSRUSA-N 2 0 373.585 3.331 20 0 FGADRP CCC[N@H+](CC)C[C@@H](C)NC(=O)c1ccc(C[NH+]2CCSCC2)cc1 ZINC000461605211 502151230 /nfs/dbraw/zinc/15/12/30/502151230.db2.gz CHQQQBLQDFKJGR-QGZVFWFLSA-N 2 0 363.571 3.086 20 0 FGADRP C[C@H](C[NH2+][C@H]1CCCc2cc(Br)ccc21)N1CC[NH+](C)CC1 ZINC000479068374 502152427 /nfs/dbraw/zinc/15/24/27/502152427.db2.gz XCUNGDXKWBZXQL-KDOFPFPSSA-N 2 0 366.347 3.052 20 0 FGADRP C[C@@H]([NH2+][C@@H]1CCCc2nn(C)cc21)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000479072160 502155204 /nfs/dbraw/zinc/15/52/04/502155204.db2.gz SRMUJYYFHLRJKT-DNVCBOLYSA-N 2 0 371.504 3.039 20 0 FGADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H]1CCCc2nn(-c3ccccc3)cc21 ZINC000479074802 502156208 /nfs/dbraw/zinc/15/62/08/502156208.db2.gz AZJYRDBUCHXBDE-AZUAARDMSA-N 2 0 356.514 3.196 20 0 FGADRP CCN(CCC[NH+](CC)CC)C(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000472066956 502217182 /nfs/dbraw/zinc/21/71/82/502217182.db2.gz ZKIPGQYFXJIMLF-RBUKOAKNSA-N 2 0 366.594 3.403 20 0 FGADRP C[C@H](NC(=O)NC[C@H](c1ccsc1)[NH+](C)C)[C@@H](c1ccccc1)[NH+](C)C ZINC000479356378 502234754 /nfs/dbraw/zinc/23/47/54/502234754.db2.gz XMLGCXJEDOWCSJ-IPELMVKDSA-N 2 0 374.554 3.341 20 0 FGADRP CCN1CC[NH+](C[C@@H](C)CNc2cc[nH+]c3cc(F)c(OC)cc23)CC1 ZINC000479389687 502244032 /nfs/dbraw/zinc/24/40/32/502244032.db2.gz DYBQFKDSMVAJAU-HNNXBMFYSA-N 2 0 360.477 3.068 20 0 FGADRP CC(C)OCC[C@@H](O)C[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000472170585 502256710 /nfs/dbraw/zinc/25/67/10/502256710.db2.gz IALRCNLXYILXTI-OAQYLSRUSA-N 2 0 360.542 3.151 20 0 FGADRP CC(C)C[C@@]1(CO)CCC[NH+]1CCC[N@H+]1CCC[C@]1(CO)CC(C)C ZINC000475718423 502263291 /nfs/dbraw/zinc/26/32/91/502263291.db2.gz YMBCFLZCDYKGLP-NHCUHLMSSA-N 2 0 354.579 3.123 20 0 FGADRP CC(C)[C@H](C(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2)[NH+](C)C ZINC000472192548 502264815 /nfs/dbraw/zinc/26/48/15/502264815.db2.gz OJTCCMIKNOWTRV-IRLDBZIGSA-N 2 0 357.542 3.087 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H](NC[C@@H]2CC[NH+](Cc3ccccc3)C2)[C@H](C)C1 ZINC000479468603 502269262 /nfs/dbraw/zinc/26/92/62/502269262.db2.gz YREZBCKAFRYYQI-PUHATCMVSA-N 2 0 373.585 3.235 20 0 FGADRP CC(C)[N@@H+](C)C[C@H](C)NC(=O)N1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000462004228 502270375 /nfs/dbraw/zinc/27/03/75/502270375.db2.gz QBAVOTFOAOOQEH-OTWHNJEPSA-N 2 0 352.567 3.011 20 0 FGADRP C[C@@H](C(=O)N1CCC[N@H+](CCCc2ccccc2)CC1)[NH+]1CCCCCC1 ZINC000462014768 502274262 /nfs/dbraw/zinc/27/42/62/502274262.db2.gz NFVJGBPQOVDJRD-NRFANRHFSA-N 2 0 371.569 3.418 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccc2nc(C)sc2c1 ZINC000469043595 502275547 /nfs/dbraw/zinc/27/55/47/502275547.db2.gz STRFGHFYAULUJS-KRWDZBQOSA-N 2 0 374.554 3.093 20 0 FGADRP Cc1c([C@H](C)[NH2+][C@H]2CCN(Cc3ccccc3)C[C@H]2CO)cnn1C(C)C ZINC000469086497 502291553 /nfs/dbraw/zinc/29/15/53/502291553.db2.gz YHJOSSXQLMMXGW-XJABCFGWSA-N 2 0 370.541 3.306 20 0 FGADRP CC[NH+](CC)CCO[C@H]1CCN([C@@H](C)C(=O)Nc2cc(C)cc(C)c2)C1 ZINC000472281536 502297023 /nfs/dbraw/zinc/29/70/23/502297023.db2.gz UHNBYDUIPPNAGE-ICSRJNTNSA-N 2 0 361.530 3.063 20 0 FGADRP C[NH+](C)[C@@H](CNC(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1)C1CCCCC1 ZINC000465540489 502298564 /nfs/dbraw/zinc/29/85/64/502298564.db2.gz LFKBTUYVGODXJK-UXHICEINSA-N 2 0 364.578 3.061 20 0 FGADRP C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)N[C@H]3CC[NH+](C)[C@@H](C)C3)cc2)C1 ZINC000465570640 502311505 /nfs/dbraw/zinc/31/15/05/502311505.db2.gz MWPYGAKCEZCZFW-LQWHRVPQSA-N 2 0 372.557 3.200 20 0 FGADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)NCc2ccc(C[NH+](CC)CC)cc2)C1 ZINC000465595030 502319774 /nfs/dbraw/zinc/31/97/74/502319774.db2.gz JBBZODABKYJWFX-OAQYLSRUSA-N 2 0 374.573 3.402 20 0 FGADRP COC(=O)c1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H](C[NH3+])Cc2ccccc2)o1 ZINC000472376523 502334331 /nfs/dbraw/zinc/33/43/31/502334331.db2.gz XTHVBFLLVOWBIE-IEBWSBKVSA-N 2 0 356.466 3.238 20 0 FGADRP CC(C)[N@@H+]1[C@@H]2CC[C@H]1CN(C(=O)NC[C@@]1([NH+](C)C)CCC[C@H](C)C1)CC2 ZINC000465683795 502346292 /nfs/dbraw/zinc/34/62/92/502346292.db2.gz ABRXSLVJTFSQBZ-YOUFYPILSA-N 2 0 364.578 3.154 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N1CC[N@H+](C)[C@H](C(C)C)C1)c1ccsc1 ZINC000487103825 502360303 /nfs/dbraw/zinc/36/03/03/502360303.db2.gz OCAHUIGCEQBMAI-MSOLQXFVSA-N 2 0 366.575 3.113 20 0 FGADRP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000465747430 502369050 /nfs/dbraw/zinc/36/90/50/502369050.db2.gz FNMFPTHAPVCNMN-QRVBRYPASA-N 2 0 366.594 3.259 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)NC2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC000465762896 502375053 /nfs/dbraw/zinc/37/50/53/502375053.db2.gz RWEPZYZTFLYKOB-ZCHBJMIBSA-N 2 0 364.578 3.057 20 0 FGADRP CC[NH+](CC)C[C@H](C)NC(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000465767552 502376754 /nfs/dbraw/zinc/37/67/54/502376754.db2.gz CAQCOZPQEZPJCQ-JZXOWHBKSA-N 2 0 366.575 3.161 20 0 FGADRP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000469345093 502382569 /nfs/dbraw/zinc/38/25/69/502382569.db2.gz QSUMMIYKEGBINK-SFHLNBCPSA-N 2 0 357.542 3.420 20 0 FGADRP C[C@H](C[NH+]1CCCCCC1)NC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000479807955 502382966 /nfs/dbraw/zinc/38/29/66/502382966.db2.gz SGGXWVSWXUEDIX-LJQANCHMSA-N 2 0 357.542 3.279 20 0 FGADRP C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)c1oc2ccccc2c1C[NH+](C)C ZINC000469345605 502383412 /nfs/dbraw/zinc/38/34/12/502383412.db2.gz RDQVGAOFZANLOC-HOTGVXAUSA-N 2 0 357.498 3.487 20 0 FGADRP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCC[NH+](CC)C1CC1 ZINC000465844100 502400214 /nfs/dbraw/zinc/40/02/14/502400214.db2.gz NMLWRNHZTOPSJE-HXUWFJFHSA-N 2 0 372.557 3.024 20 0 FGADRP CCOc1c(Cl)cccc1C[NH2+]CC1CC[NH+](CCN(C)C)CC1 ZINC000487329400 502418592 /nfs/dbraw/zinc/41/85/92/502418592.db2.gz XVJCLUOQKYLWHG-UHFFFAOYSA-N 2 0 353.938 3.102 20 0 FGADRP CCCC[N@H+](C)CCNC(=O)N1CC[C@H](C)[NH+](Cc2ccccc2)CC1 ZINC000465914686 502425543 /nfs/dbraw/zinc/42/55/43/502425543.db2.gz CCUIMAIVQKCEDJ-IBGZPJMESA-N 2 0 360.546 3.024 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NC[C@@H](C)c1ccc(C)cc1 ZINC000465950159 502437775 /nfs/dbraw/zinc/43/77/75/502437775.db2.gz MBCBGCFRYRHKOY-CTNGQTDRSA-N 2 0 374.573 3.156 20 0 FGADRP CC1CC[NH+](CC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)CC1 ZINC000483600117 502440475 /nfs/dbraw/zinc/44/04/75/502440475.db2.gz RIGDXDCBYZXZKF-FCHUYYIVSA-N 2 0 369.553 3.231 20 0 FGADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)NCCC[NH+](C)Cc2ccccc2)C[C@@H]1C ZINC000483710891 502471464 /nfs/dbraw/zinc/47/14/64/502471464.db2.gz MJDFWXVBUMIUMA-AZUAARDMSA-N 2 0 360.546 3.023 20 0 FGADRP Cc1cccc2c(NCc3ccnc(OCC[NH+](C)C)c3)c(C)c[nH+]c12 ZINC000462513473 502471477 /nfs/dbraw/zinc/47/14/77/502471477.db2.gz RUCAWLPRIRSYJK-UHFFFAOYSA-N 2 0 350.466 3.221 20 0 FGADRP CN(C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000476403964 502480471 /nfs/dbraw/zinc/48/04/71/502480471.db2.gz HEDLVLBPTYDESE-NRFANRHFSA-N 2 0 370.541 3.051 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NCC(C)(C)[NH+]2C[C@H](C)C[C@H](C)C2)C[C@H]1C ZINC000483753997 502483435 /nfs/dbraw/zinc/48/34/35/502483435.db2.gz ARCUQQFDBSTHQS-HCXYKTFWSA-N 2 0 366.594 3.257 20 0 FGADRP C[C@H](CCNC(=O)NCC[N@H+](C)C1CCCC1)[NH+](C)Cc1ccccc1 ZINC000472999186 502494832 /nfs/dbraw/zinc/49/48/32/502494832.db2.gz INBCKQRSQGEHEV-GOSISDBHSA-N 2 0 360.546 3.071 20 0 FGADRP C[C@@H](CCNC(=O)N1CC[C@@H]([NH+]2CCCCC2)C1)[N@H+](C)Cc1ccccc1 ZINC000473008197 502498766 /nfs/dbraw/zinc/49/87/66/502498766.db2.gz ILWVBCWLLWXCEE-PZJWPPBQSA-N 2 0 372.557 3.167 20 0 FGADRP CCC[N@H+](CC)C[C@@H](C)NC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000462625183 502511983 /nfs/dbraw/zinc/51/19/83/502511983.db2.gz XFGJCSFINFRHCK-UXHICEINSA-N 2 0 366.594 3.404 20 0 FGADRP CCC[N@H+](CC)C[C@@H](C)NC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000462625623 502512124 /nfs/dbraw/zinc/51/21/24/502512124.db2.gz XFGJCSFINFRHCK-WOJBJXKFSA-N 2 0 366.594 3.404 20 0 FGADRP CC[NH+](CC)Cc1ccc(C(=O)N(CC[NH+](C)C)Cc2ccco2)cc1 ZINC000469715507 502514085 /nfs/dbraw/zinc/51/40/85/502514085.db2.gz CDLQIHHQECTVLU-UHFFFAOYSA-N 2 0 357.498 3.325 20 0 FGADRP C[C@@H]1CN(C(C)(C)C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)C[C@@H](C)O1 ZINC000480261361 502516336 /nfs/dbraw/zinc/51/63/36/502516336.db2.gz IYLWSXDNWFITBK-GPQLQYNLSA-N 2 0 373.585 3.374 20 0 FGADRP CCC[N@H+](CC)Cc1ccc(C(=O)NC[C@@]2([NH+](C)C)CCSC2)cc1 ZINC000480273264 502521938 /nfs/dbraw/zinc/52/19/38/502521938.db2.gz GSTHJDOKHGPSNV-FQEVSTJZSA-N 2 0 363.571 3.086 20 0 FGADRP OC1CC[NH+](Cc2ccccc2C[NH2+][C@@H]2CCC[C@H]([C@@H]3CCOC3)C2)CC1 ZINC000466345191 502543452 /nfs/dbraw/zinc/54/34/52/502543452.db2.gz DRCJVDDEZCBWHV-VLCRHTCISA-N 2 0 372.553 3.328 20 0 FGADRP CC(C)[NH+]1CCN(C(=O)NC[C@H]2CCCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000462744940 502556017 /nfs/dbraw/zinc/55/60/17/502556017.db2.gz NOMUQUSIKWWVCF-OAQYLSRUSA-N 2 0 372.557 3.024 20 0 FGADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N(C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000469832658 502560868 /nfs/dbraw/zinc/56/08/68/502560868.db2.gz USCSYCVINAPZSP-RCLSDMTESA-N 2 0 357.542 3.371 20 0 FGADRP CCc1oc2ccccc2c1C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000469860171 502571715 /nfs/dbraw/zinc/57/17/15/502571715.db2.gz DPYQLVXQVFJJLZ-VQIMIIECSA-N 2 0 369.509 3.075 20 0 FGADRP O=C(c1ccc(Nc2cc[nH+]cc2)cc1)N1CC[NH+](C2CCCCC2)CC1 ZINC000484114539 502573230 /nfs/dbraw/zinc/57/32/30/502573230.db2.gz NTFJHSYYUOVQLO-UHFFFAOYSA-N 2 0 364.493 3.338 20 0 FGADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]C[C@@](C)(Cc1ccccc1)[C@@H](C)O ZINC000480454070 502573322 /nfs/dbraw/zinc/57/33/22/502573322.db2.gz MVXQVHFTLNTTBO-XMSQKQJNSA-N 2 0 364.493 3.295 20 0 FGADRP CCC[C@H]1CCC[N@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000466466233 502578061 /nfs/dbraw/zinc/57/80/61/502578061.db2.gz OZXURJNOBGRDCY-FQEVSTJZSA-N 2 0 357.542 3.411 20 0 FGADRP COCC[N@H+](C[C@H](O)Cn1cnc2cc(C)c(C)cc21)[C@@H]1CCC[C@H]1C ZINC000487964525 502582301 /nfs/dbraw/zinc/58/23/01/502582301.db2.gz UGLMPNILJGZNNL-MOXGXCLJSA-N 2 0 359.514 3.151 20 0 FGADRP CCN(C)C(=O)C[NH2+][C@@H](CCC[NH+]1CCC(C)CC1)c1ccc(F)cc1 ZINC000462805830 502583024 /nfs/dbraw/zinc/58/30/24/502583024.db2.gz VJHHTOGJLHVZMF-FQEVSTJZSA-N 2 0 363.521 3.447 20 0 FGADRP O[C@]1(CN[C@H]2CCCOc3ccc(F)cc32)CC[N@H+](Cc2ccccc2)C1 ZINC000484161116 502589111 /nfs/dbraw/zinc/58/91/11/502589111.db2.gz MOWJMUNTJYNWPC-UNMCSNQZSA-N 2 0 370.468 3.266 20 0 FGADRP C[NH+]1CCC(O)(C[NH2+][C@H](Cc2cccc(F)c2)c2cccc(F)c2)CC1 ZINC000484180881 502594979 /nfs/dbraw/zinc/59/49/79/502594979.db2.gz VDHRHSKDCFRYEK-HXUWFJFHSA-N 2 0 360.448 3.295 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H](NC[C@H](C2CCCCC2)[NH+](C)C)[C@@H](C)C1 ZINC000480722893 502652604 /nfs/dbraw/zinc/65/26/04/502652604.db2.gz QNTGHSFYMGXOOO-SESVDKBCSA-N 2 0 353.595 3.224 20 0 FGADRP CC(C)C[NH+]1CCC([NH2+][C@@H](C)CCCOc2ccccc2C(N)=O)CC1 ZINC000470085547 502653862 /nfs/dbraw/zinc/65/38/62/502653862.db2.gz GXQOTJMWJIHNJK-KRWDZBQOSA-N 2 0 361.530 3.043 20 0 FGADRP CCC[N@H+](CC)C[C@H](C)NC(=O)N(Cc1ccco1)C1CC[NH+](C)CC1 ZINC000463063493 502681282 /nfs/dbraw/zinc/68/12/82/502681282.db2.gz GYFCKHFYWLZYAT-KRWDZBQOSA-N 2 0 364.534 3.006 20 0 FGADRP CC[NH+](CC)CC1CC[NH+](C[C@H](O)COc2ccc(Cl)cc2)CC1 ZINC000488311648 502682290 /nfs/dbraw/zinc/68/22/90/502682290.db2.gz NJVQPUKCGOSXCN-SFHVURJKSA-N 2 0 354.922 3.134 20 0 FGADRP C[C@H]1C[C@@H]([NH2+]Cc2ccc(OCCO)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000463115225 502699334 /nfs/dbraw/zinc/69/93/34/502699334.db2.gz XEINZEXEAUJLCV-RXVVDRJESA-N 2 0 354.494 3.200 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1cccc(C[NH+](C)C)c1 ZINC000488499214 502732602 /nfs/dbraw/zinc/73/26/02/502732602.db2.gz NQPBZSHQGDKOOS-GCJKJVERSA-N 2 0 365.521 3.389 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N(C)CC[NH+](C)C2CC2)cc1 ZINC000473886739 502738383 /nfs/dbraw/zinc/73/83/83/502738383.db2.gz SNRXXJKWTDAWJU-GOSISDBHSA-N 2 0 372.557 3.297 20 0 FGADRP O=C(c1ccc2c(c1)C[NH2+]C2)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000470376799 502755027 /nfs/dbraw/zinc/75/50/27/502755027.db2.gz WJYSBYWAQYWEAO-UHFFFAOYSA-N 2 0 363.505 3.071 20 0 FGADRP COc1ccc([C@H](CNC(=O)C[N@@H+]2CC[C@H](C)[C@@H]2C)[NH+]2CCCCC2)cc1 ZINC000484933323 502781194 /nfs/dbraw/zinc/78/11/94/502781194.db2.gz GXPXJVXNWOLTKC-WFXMLNOXSA-N 2 0 373.541 3.069 20 0 FGADRP O=C(C[NH2+][C@@H]1CCCC[C@@H]1Cc1ccccc1)NC1CC[NH+](C2CC2)CC1 ZINC000481207509 502783299 /nfs/dbraw/zinc/78/32/99/502783299.db2.gz XBKLAZBRLSQSBN-DENIHFKCSA-N 2 0 369.553 3.121 20 0 FGADRP OC[C@@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+][C@@H]1CCCC[C@H]1[C@H]1CCOC1 ZINC000474081839 502802499 /nfs/dbraw/zinc/80/24/99/502802499.db2.gz OAOXBFWARLVRMJ-CWBXHPNXSA-N 2 0 372.553 3.328 20 0 FGADRP CC[C@H](C(=O)N(CC)C[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+](CC)CC ZINC000470531043 502806228 /nfs/dbraw/zinc/80/62/28/502806228.db2.gz UFCYTULZMLNSLF-NHCUHLMSSA-N 2 0 359.558 3.477 20 0 FGADRP CC[NH+]1CCN(c2ccccc2CN2CCCC[C@@H]([NH+]3CCCC3)C2)CC1 ZINC000513037285 502836261 /nfs/dbraw/zinc/83/62/61/502836261.db2.gz ROHMPPSSADLCER-JOCHJYFZSA-N 2 0 370.585 3.279 20 0 FGADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000500859612 502879815 /nfs/dbraw/zinc/87/98/15/502879815.db2.gz BCEJPPICCSLSHU-NHCUHLMSSA-N 2 0 372.557 3.215 20 0 FGADRP CC(C)[NH+](CCN(C)C(=O)C1CC[NH+](Cc2ccccc2)CC1)C(C)C ZINC000505409394 502899979 /nfs/dbraw/zinc/89/99/79/502899979.db2.gz OWRZGAGVXCZUTB-UHFFFAOYSA-N 2 0 359.558 3.476 20 0 FGADRP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]C1CCN(C(=O)c2ccoc2)CC1 ZINC000513331715 502906525 /nfs/dbraw/zinc/90/65/25/502906525.db2.gz VEGGHOXNVQLKGA-YLJYHZDGSA-N 2 0 361.530 3.374 20 0 FGADRP Fc1ccc(F)c2c1CC[C@H]2[NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000513348059 502911412 /nfs/dbraw/zinc/91/14/12/502911412.db2.gz HRTLPONRLFWBDX-HXUWFJFHSA-N 2 0 372.463 3.149 20 0 FGADRP C[C@@H]1CCC[C@H](NC(=O)C[N@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)[C@@H]1C ZINC000501025164 502914934 /nfs/dbraw/zinc/91/49/34/502914934.db2.gz YXOHGWOVJASNQB-OPYAIIAOSA-N 2 0 372.557 3.171 20 0 FGADRP C[NH+]1CCN(CCC[NH2+][C@H](Cc2ccc(F)cc2)c2ccccc2)CC1 ZINC000501052232 502923091 /nfs/dbraw/zinc/92/30/91/502923091.db2.gz GROFLVFDSXFSSO-JOCHJYFZSA-N 2 0 355.501 3.337 20 0 FGADRP CC[NH+]1CCN(c2cccc(NC(=O)CC[C@@H]3CCCC[N@@H+]3C)c2)CC1 ZINC000505545645 502931827 /nfs/dbraw/zinc/93/18/27/502931827.db2.gz VXSCMCCUHIFHKH-IBGZPJMESA-N 2 0 358.530 3.032 20 0 FGADRP CC[N@@H+]1CCCC[C@H]1C(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000489351887 502935926 /nfs/dbraw/zinc/93/59/26/502935926.db2.gz AZJYOGAQJUQNSG-FQEVSTJZSA-N 2 0 359.514 3.364 20 0 FGADRP CC[C@H](C)[NH2+][C@H](CNC(=O)N(C)[C@H]1CC[N@H+](CC)[C@@H](C)C1)c1ccco1 ZINC000509568563 502937123 /nfs/dbraw/zinc/93/71/23/502937123.db2.gz MITDXJXSMNUFNB-XLAORIBOSA-N 2 0 364.534 3.223 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)NCC[N@@H+]1CCC[C@H](C)C1)c1ccsc1 ZINC000501163292 502952062 /nfs/dbraw/zinc/95/20/62/502952062.db2.gz MQBHUCXACLUQIA-FUHWJXTLSA-N 2 0 366.575 3.162 20 0 FGADRP COC(=O)c1cc(C[NH2+]CC[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)c[nH]1 ZINC000513508354 502955303 /nfs/dbraw/zinc/95/53/03/502955303.db2.gz YAJLGJFDCUNKEV-WMZOPIPTSA-N 2 0 355.482 3.192 20 0 FGADRP CCC[NH+]1CCC(N(C)CCC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000509652916 502958051 /nfs/dbraw/zinc/95/80/51/502958051.db2.gz PQAGXPVHQMQANY-UHFFFAOYSA-N 2 0 358.574 3.005 20 0 FGADRP C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000497564841 502989299 /nfs/dbraw/zinc/98/92/99/502989299.db2.gz SPPVRPQLTQQWTD-ROUUACIJSA-N 2 0 364.578 3.203 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Cc1csc2ccccc12 ZINC000505808430 502990810 /nfs/dbraw/zinc/99/08/10/502990810.db2.gz XKSCPWUVOINKTQ-SFHVURJKSA-N 2 0 373.566 3.318 20 0 FGADRP C[N@@H+]1CC[C@H]([NH2+]Cc2cc(Cl)c3c(c2)OCCCO3)[C@@H]2CCC[C@@H]21 ZINC000513667336 502995243 /nfs/dbraw/zinc/99/52/43/502995243.db2.gz QNILEKZDSYCMRV-XIRDDKMYSA-N 2 0 350.890 3.464 20 0 FGADRP CC(C)NC(=O)CC[NH2+][C@@H]1CCCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000513672838 502997406 /nfs/dbraw/zinc/99/74/06/502997406.db2.gz MRURYTRNUXNNCY-PWRODBHTSA-N 2 0 357.542 3.182 20 0 FGADRP CC(C)C[C@H](CNC(=O)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1)[NH+](C)C ZINC000509936285 503014297 /nfs/dbraw/zinc/01/42/97/503014297.db2.gz AWHIGIGMPDDPAN-AZUAARDMSA-N 2 0 363.521 3.130 20 0 FGADRP Cc1cc(C)cc(NC(=O)[C@H](C)[NH+]2CCC(CC[NH+]3CCOCC3)CC2)c1 ZINC000513818586 503029526 /nfs/dbraw/zinc/02/95/26/503029526.db2.gz GIMCATHMIJMFLK-IBGZPJMESA-N 2 0 373.541 3.065 20 0 FGADRP CC[NH+](CC)Cc1ccccc1CNC(=O)NC[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000501549968 503035716 /nfs/dbraw/zinc/03/57/16/503035716.db2.gz KCYRRFQQLYNZJX-OALUTQOASA-N 2 0 374.573 3.448 20 0 FGADRP CC[NH+](CC)Cc1ccccc1CNC(=O)NC[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000501549970 503036069 /nfs/dbraw/zinc/03/60/69/503036069.db2.gz KCYRRFQQLYNZJX-RBUKOAKNSA-N 2 0 374.573 3.448 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)[C@H]([NH3+])c2ccccc2)C1 ZINC000497774616 503037567 /nfs/dbraw/zinc/03/75/67/503037567.db2.gz DRRZGSFNKLBULT-KGVIQGDOSA-N 2 0 365.521 3.481 20 0 FGADRP COc1ccc([C@@H](C[NH2+]Cc2ncc(CN(C)C)s2)N2CCCC2)cc1 ZINC000510175456 503064747 /nfs/dbraw/zinc/06/47/47/503064747.db2.gz JSBHIGISGTUMGH-LJQANCHMSA-N 2 0 374.554 3.140 20 0 FGADRP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)N(CC[NH+](C)C)Cc2ccccc2)C1 ZINC000501718879 503066599 /nfs/dbraw/zinc/06/65/99/503066599.db2.gz PMUABDHJYVLCGQ-WOJBJXKFSA-N 2 0 374.573 3.128 20 0 FGADRP C[C@H](C(=O)N[C@H]1CCC[C@@H](C)[C@@H]1C)[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000501773242 503077661 /nfs/dbraw/zinc/07/76/61/503077661.db2.gz HXDKAPRXRXLTGT-RMJJICAUSA-N 2 0 351.579 3.370 20 0 FGADRP C[NH+](C)CCCC1CC[NH+]([C@H]2CCN(c3cccc(Cl)c3)C2=O)CC1 ZINC000501787902 503080802 /nfs/dbraw/zinc/08/08/02/503080802.db2.gz BUAUPZASDUIVNB-IBGZPJMESA-N 2 0 363.933 3.499 20 0 FGADRP C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)N2CCCC23CC[NH+](C)CC3)C1 ZINC000510350294 503097097 /nfs/dbraw/zinc/09/70/97/503097097.db2.gz HYTOHNGJUADXHJ-ROUUACIJSA-N 2 0 364.578 3.013 20 0 FGADRP COc1cc(N[C@@H]2CCC[N@H+](CC[C@@H]3CCCC[NH+]3C)C2)cc(OC)c1 ZINC000490067715 503103081 /nfs/dbraw/zinc/10/30/81/503103081.db2.gz PIHGZFBDOVNIPS-MJGOQNOKSA-N 2 0 361.530 3.455 20 0 FGADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1oc2ccccc2c1C[NH+](C)C ZINC000510405725 503107352 /nfs/dbraw/zinc/10/73/52/503107352.db2.gz GIAPDOSCNHVGCF-CVEARBPZSA-N 2 0 357.498 3.345 20 0 FGADRP C[C@@H](CCNC(=O)N[C@@H](C)[C@@H](c1ccccc1)[NH+](C)C)[NH+]1CCCCC1 ZINC000501937403 503111750 /nfs/dbraw/zinc/11/17/50/503111750.db2.gz ICDJEOOCLDAGFK-BJLQDIEVSA-N 2 0 360.546 3.242 20 0 FGADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000514215013 503115183 /nfs/dbraw/zinc/11/51/83/503115183.db2.gz QIALOZVRUDWJCJ-DYXWJJEUSA-N 2 0 372.557 3.243 20 0 FGADRP C[C@H](CNC(=O)NC1CC[NH+](CC2CCCC2)CC1)[N@@H+]1CCCC[C@@H]1C ZINC000514229588 503119547 /nfs/dbraw/zinc/11/95/47/503119547.db2.gz SGKVCCIUQJIBEK-ZWKOTPCHSA-N 2 0 364.578 3.203 20 0 FGADRP C[C@H](CNC(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1)[NH+]1CCCC[C@@H]1C ZINC000514244955 503123986 /nfs/dbraw/zinc/12/39/86/503123986.db2.gz PPMBDXQPGYZPEK-FGTMMUONSA-N 2 0 352.567 3.059 20 0 FGADRP Cc1nccn1C[C@@H](C)CNC(=O)N[C@H](C)[C@@H](c1ccccc1C)[NH+](C)C ZINC000490212250 503131872 /nfs/dbraw/zinc/13/18/72/503131872.db2.gz KIPYFHGPSJXXEA-VPWXQRGCSA-N 2 0 371.529 3.127 20 0 FGADRP C[NH+](C)CCOc1ccc(NC(=O)CC[C@@H]2CCCC[N@@H+]2C)cc1Cl ZINC000498358037 503167269 /nfs/dbraw/zinc/16/72/69/503167269.db2.gz CRRFXYHAPAKVRO-INIZCTEOSA-N 2 0 367.921 3.483 20 0 FGADRP CC(C)[C@@H](C[NH2+][C@H](C)CCc1c(F)cccc1F)N1CC[NH+](C)CC1 ZINC000510754732 503185955 /nfs/dbraw/zinc/18/59/55/503185955.db2.gz NTVYUXNELZRPDC-OXQOHEQNSA-N 2 0 353.501 3.148 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)Nc1ccc(CC[NH+](C)C)cc1 ZINC000510829888 503200431 /nfs/dbraw/zinc/20/04/31/503200431.db2.gz MDAGJUMSZWLOPU-XMSQKQJNSA-N 2 0 365.521 3.497 20 0 FGADRP C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)NCC[N@H+](C)C2CC2)C1 ZINC000490863247 503238053 /nfs/dbraw/zinc/23/80/53/503238053.db2.gz RMQJRWALIADXNC-ROUUACIJSA-N 2 0 372.557 3.058 20 0 FGADRP C[C@H]1CC[N@H+](C)CCN1C(=O)c1cccc(C[NH+](C)Cc2ccccc2)c1 ZINC000498721329 503248065 /nfs/dbraw/zinc/24/80/65/503248065.db2.gz KPSHWBVAKLKRED-IBGZPJMESA-N 2 0 365.521 3.485 20 0 FGADRP C[C@@H]1CC[N@H+](C)CCN1C(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000502839098 503285539 /nfs/dbraw/zinc/28/55/39/503285539.db2.gz MWAOSISFPJVSPH-LJQANCHMSA-N 2 0 372.557 3.298 20 0 FGADRP COc1ccccc1-c1ncc(C[NH2+]C2CCC(C[NH+](C)C)CC2)cn1 ZINC000491226830 503288300 /nfs/dbraw/zinc/28/83/00/503288300.db2.gz YGAXRAVKJKDIJQ-UHFFFAOYSA-N 2 0 354.498 3.362 20 0 FGADRP CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000502858420 503291006 /nfs/dbraw/zinc/29/10/06/503291006.db2.gz ACCSSHSDXMUFEC-IBGZPJMESA-N 2 0 358.530 3.021 20 0 FGADRP CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000502858421 503291053 /nfs/dbraw/zinc/29/10/53/503291053.db2.gz ACCSSHSDXMUFEC-LJQANCHMSA-N 2 0 358.530 3.021 20 0 FGADRP C[C@H](NC(=O)C[NH+]1CCC(CC[NH3+])CC1)c1ccc(Cl)cc1Cl ZINC000515306157 503311812 /nfs/dbraw/zinc/31/18/12/503311812.db2.gz WXCUSGICNMNBLV-LBPRGKRZSA-N 2 0 358.313 3.231 20 0 FGADRP COc1ccccc1-c1ncc(C[NH2+]CC2(SC)CC[NH+](C)CC2)cn1 ZINC000491592920 503322351 /nfs/dbraw/zinc/32/23/51/503322351.db2.gz ZVTRXOUXTFJMBD-UHFFFAOYSA-N 2 0 372.538 3.069 20 0 FGADRP C[C@H]1C[C@H](CCNC(=O)NCC[NH+]2CCCCC2)C[N@@H+]1Cc1ccccc1 ZINC000511441900 503323285 /nfs/dbraw/zinc/32/32/85/503323285.db2.gz VMAJHGOKSKTSDQ-FPOVZHCZSA-N 2 0 372.557 3.072 20 0 FGADRP CC[N@@H+]1C[C@H](C)N(C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)C[C@H]1C ZINC000499088045 503331117 /nfs/dbraw/zinc/33/11/17/503331117.db2.gz CNMFPBJOPCSZNZ-IXDOHACOSA-N 2 0 364.559 3.009 20 0 FGADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@@H]1CCN(c2ccccc2F)C1 ZINC000492052046 503345811 /nfs/dbraw/zinc/34/58/11/503345811.db2.gz XOVBERITWIDQSJ-QGZVFWFLSA-N 2 0 351.429 3.083 20 0 FGADRP CC[C@@H](C)[NH2+][C@H](CNC(=O)NCC(C)(C)C[NH+]1CCCC1)c1ccco1 ZINC000503109554 503348134 /nfs/dbraw/zinc/34/81/34/503348134.db2.gz JSKRRMXLOLLKEJ-IAGOWNOFSA-N 2 0 364.534 3.130 20 0 FGADRP C[C@H](C(=O)Nc1ccc(-c2c[nH]cn2)cc1)N(C)CCC(=O)OC(C)(C)C ZINC000503111533 503349324 /nfs/dbraw/zinc/34/93/24/503349324.db2.gz WXQQRZHRXQXZFD-CQSZACIVSA-N 2 0 372.469 3.067 20 0 FGADRP C[C@H]([NH2+]C1(CNC(=O)NCCC[NH+]2CCCC2)CCCC1)c1ccccc1 ZINC000503140965 503353868 /nfs/dbraw/zinc/35/38/68/503353868.db2.gz UHCNKIUISHIKCI-IBGZPJMESA-N 2 0 372.557 3.435 20 0 FGADRP CCC[N@H+](CC)C[C@@H](C)NC(=O)[C@@H]1C[NH+](C(C)(C)C)C[C@H]1C(F)(F)F ZINC000515527763 503359402 /nfs/dbraw/zinc/35/94/02/503359402.db2.gz QVLBTXRCEVETPB-RBSFLKMASA-N 2 0 365.484 3.132 20 0 FGADRP C[C@H]([NH2+]CCC(=O)N1CCOc2ccccc21)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000503198181 503364718 /nfs/dbraw/zinc/36/47/18/503364718.db2.gz KKOJXQFTNANEIF-ROUUACIJSA-N 2 0 371.525 3.045 20 0 FGADRP O=[S@](CC[N@@H+]1CCC[C@@H](c2ncc3n2CCCC3)C1)c1ccccc1 ZINC000503373567 503396946 /nfs/dbraw/zinc/39/69/46/503396946.db2.gz ILHNYFSOPLDGKN-CRICUBBOSA-N 2 0 357.523 3.207 20 0 FGADRP C[C@H](NC(=O)NC[C@H]1[N@H+](C)CCCC1(C)C)[C@H](c1ccccc1)[NH+](C)C ZINC000503385940 503398535 /nfs/dbraw/zinc/39/85/35/503398535.db2.gz KNMUSOPOFMRHSK-QXAKKESOSA-N 2 0 360.546 3.097 20 0 FGADRP CC(=O)N1CC[C@@H]([NH2+]C2CC[NH+](C3CCCC3)CC2)c2ccccc2C1 ZINC000493145032 503409882 /nfs/dbraw/zinc/40/98/82/503409882.db2.gz FOKQVKBWKYSAAK-JOCHJYFZSA-N 2 0 355.526 3.477 20 0 FGADRP CCC[N@@H+]1CCC[C@H]1CNC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000511903448 503412101 /nfs/dbraw/zinc/41/21/01/503412101.db2.gz AVAVAAOYCYRLMT-PMACEKPBSA-N 2 0 364.578 3.158 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C1CC1)c1ccccc1Cl ZINC000493233845 503414283 /nfs/dbraw/zinc/41/42/83/503414283.db2.gz FFBKBTLUSWVEQZ-RTBURBONSA-N 2 0 363.933 3.466 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C1CC1)c1ccccc1Cl ZINC000493233841 503414631 /nfs/dbraw/zinc/41/46/31/503414631.db2.gz FFBKBTLUSWVEQZ-OALUTQOASA-N 2 0 363.933 3.466 20 0 FGADRP CCc1cc(C(=O)N(CC[NH+](C)C)C[C@H]2CCC[N@H+]2CC)sc1C ZINC000499512878 503422455 /nfs/dbraw/zinc/42/24/55/503422455.db2.gz IHLCIAQAQDYAEI-QGZVFWFLSA-N 2 0 351.560 3.107 20 0 FGADRP CO[C@H](c1ccccc1)[C@H](C)[NH2+]Cc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000493734312 503442681 /nfs/dbraw/zinc/44/26/81/503442681.db2.gz FBMCRURXXHYDIJ-CVDCTZTESA-N 2 0 367.537 3.300 20 0 FGADRP C(CC[NH+]1CCC(CCC[NH+]2CCOCC2)CC1)CC1CCOCC1 ZINC000499619822 503444572 /nfs/dbraw/zinc/44/45/72/503444572.db2.gz NTXWECCTAJRHPO-UHFFFAOYSA-N 2 0 352.563 3.408 20 0 FGADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000499660423 503451711 /nfs/dbraw/zinc/45/17/11/503451711.db2.gz PXEFGNRDHUPMDJ-NRFANRHFSA-N 2 0 357.542 3.279 20 0 FGADRP CC[NH+]1CCN(CCC[NH2+][C@@H](C)c2cc(C)c(Br)s2)CC1 ZINC000512086745 503454179 /nfs/dbraw/zinc/45/41/79/503454179.db2.gz FZLIYBZXXKDELB-AWEZNQCLSA-N 2 0 374.392 3.497 20 0 FGADRP C[C@@H]1CCC[C@@](CNC(=O)NC[C@@H](c2cccs2)[NH+](C)C)([NH+](C)C)C1 ZINC000516154097 503457233 /nfs/dbraw/zinc/45/72/33/503457233.db2.gz WMEGGMUGZPZLAS-JTDSTZFVSA-N 2 0 366.575 3.161 20 0 FGADRP Cc1ccccc1[C@H]([C@H](C)NC(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1)[NH+](C)C ZINC000493924144 503459269 /nfs/dbraw/zinc/45/92/69/503459269.db2.gz BFEXLBNCVSPKIJ-ZJOUEHCJSA-N 2 0 374.573 3.406 20 0 FGADRP CC[NH+]1CCN(c2ccc(C[NH2+]Cc3ccc4occc4c3)cn2)CC1 ZINC000512134221 503465069 /nfs/dbraw/zinc/46/50/69/503465069.db2.gz YRZDHWZKZHGNML-UHFFFAOYSA-N 2 0 350.466 3.260 20 0 FGADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1)c1ccccc1 ZINC000503731048 503465818 /nfs/dbraw/zinc/46/58/18/503465818.db2.gz UAMLFGNCXKWVIO-IEBWSBKVSA-N 2 0 372.557 3.432 20 0 FGADRP C[C@H]([NH2+]C1(CNC(=O)N2CC[N@H+](C)CC[C@H]2C)CCCC1)c1ccccc1 ZINC000503741727 503467560 /nfs/dbraw/zinc/46/75/60/503467560.db2.gz XURVCIDJSWBMDK-MOPGFXCFSA-N 2 0 372.557 3.386 20 0 FGADRP C[C@H]1[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000494068574 503483162 /nfs/dbraw/zinc/48/31/62/503483162.db2.gz IPQMOTRXIDFPPZ-AZUAARDMSA-N 2 0 357.542 3.278 20 0 FGADRP C[C@H]([NH2+]Cc1ccc2c(c1)oc(=O)n2C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000512247387 503497656 /nfs/dbraw/zinc/49/76/56/503497656.db2.gz YPKBKVVUYOMAFX-LPHOPBHVSA-N 2 0 365.477 3.132 20 0 FGADRP C[C@@H]1CCC[C@@](CNC(=O)NCCC[N@@H+]2CCCC[C@@H]2C)([NH+](C)C)C1 ZINC000516560948 503536803 /nfs/dbraw/zinc/53/68/03/503536803.db2.gz XDAAPYOWTUDXJM-WSTZPKSXSA-N 2 0 352.567 3.061 20 0 FGADRP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NCC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000516562182 503537327 /nfs/dbraw/zinc/53/73/27/503537327.db2.gz DCVVQSCPJKSAEY-CRGYJSLOSA-N 2 0 368.569 3.035 20 0 FGADRP CC[C@H](C(=O)Nc1cccc(N2CC[NH+](C(C)C)CC2)c1)[NH+](CC)CC ZINC000504199429 503537627 /nfs/dbraw/zinc/53/76/27/503537627.db2.gz OECHIOJAFBQPIG-HXUWFJFHSA-N 2 0 360.546 3.276 20 0 FGADRP CC(C)C[C@H](C[NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)N1CCOCC1 ZINC000508702258 503546773 /nfs/dbraw/zinc/54/67/73/503546773.db2.gz VZWYJLQFLBFPFO-AKIFATBCSA-N 2 0 373.585 3.234 20 0 FGADRP Cc1ccccc1[C@H]([C@@H](C)NC(=O)N(CC[NH+](C)C)CC(C)C)[NH+](C)C ZINC000508852097 503577934 /nfs/dbraw/zinc/57/79/34/503577934.db2.gz ZTPQZMNZBFXAIV-QUCCMNQESA-N 2 0 362.562 3.215 20 0 FGADRP Cc1ccccc1[C@H]([C@@H](C)NC(=O)N1CCC[N@@H+](C(C)C)CC1)[NH+](C)C ZINC000508854045 503578272 /nfs/dbraw/zinc/57/82/72/503578272.db2.gz SCDYSAPDKYMMSG-QUCCMNQESA-N 2 0 360.546 3.112 20 0 FGADRP O[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]C2CC(OCc3ccccc3)C2)CC1 ZINC000494644641 503582051 /nfs/dbraw/zinc/58/20/51/503582051.db2.gz DBOJAQGPZBBZGC-LIKPIUCQSA-N 2 0 358.526 3.092 20 0 FGADRP C[C@H](NC(=O)N1CCC[C@@H]1C[NH+]1CCCCC1)[C@H](c1ccccc1)[NH+](C)C ZINC000508904937 503596558 /nfs/dbraw/zinc/59/65/58/503596558.db2.gz JFFCHSNOMKDSGC-CEWLAPEOSA-N 2 0 372.557 3.338 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1CCCNC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000516839834 503597579 /nfs/dbraw/zinc/59/75/79/503597579.db2.gz KIKNGEARDVMJNX-LJQANCHMSA-N 2 0 357.542 3.279 20 0 FGADRP CN(C)c1cc(Cl)cc(Cl)c1C[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000517061036 503651797 /nfs/dbraw/zinc/65/17/97/503651797.db2.gz UKQOBKKAUSHPKV-UHFFFAOYSA-N 2 0 373.372 3.175 20 0 FGADRP COc1ccc([C@H](CNC(=O)C[N@@H+]2CCC(C)(C)C2)[NH+]2CCCCC2)cc1 ZINC000532983314 503686601 /nfs/dbraw/zinc/68/66/01/503686601.db2.gz DQBJQHZACSHFHY-FQEVSTJZSA-N 2 0 373.541 3.070 20 0 FGADRP C[C@@H]1C[NH+](CCC2CC[NH+](Cc3ccc4c(c3)OCCO4)CC2)C[C@@H](C)O1 ZINC000533023575 503703468 /nfs/dbraw/zinc/70/34/68/503703468.db2.gz RBERGZIGLALGGE-QZTJIDSGSA-N 2 0 374.525 3.169 20 0 FGADRP CC[C@H]1CC[C@@H](C)[N@@H+]1CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000536742780 503707908 /nfs/dbraw/zinc/70/79/08/503707908.db2.gz ZOBNGNJRFSSLLX-APWZRJJASA-N 2 0 361.555 3.437 20 0 FGADRP C[NH+](C)[C@@H]1CCCN(C(=O)c2cccc(C[N@H+](C)Cc3ccccc3)c2)C1 ZINC000543288210 503711744 /nfs/dbraw/zinc/71/17/44/503711744.db2.gz IDKZYUDRTBEOCF-JOCHJYFZSA-N 2 0 365.521 3.485 20 0 FGADRP CC1CC[NH+](C2CCC([NH2+]Cc3cnc(-c4cnn(C)c4)nc3)CC2)CC1 ZINC000527238413 503734148 /nfs/dbraw/zinc/73/41/48/503734148.db2.gz CEUGUXOLGILKOX-UHFFFAOYSA-N 2 0 368.529 3.010 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCc2nnc(-c3ccccc3)o2)[C@H](C)C1 ZINC000536837371 503737025 /nfs/dbraw/zinc/73/70/25/503737025.db2.gz GASFTHGYJLSRTR-MJGOQNOKSA-N 2 0 372.513 3.006 20 0 FGADRP CCn1nccc1C[NH2+]CCc1ccc(OCC[N@@H+]2C[C@H](C)[C@H](C)C2)cc1 ZINC000540325099 503737480 /nfs/dbraw/zinc/73/74/80/503737480.db2.gz WNMFUXKPOIIWKM-KDURUIRLSA-N 2 0 370.541 3.202 20 0 FGADRP C[C@@H]1C[NH+](CCOc2ccc(CC[NH2+]Cc3cccnc3)cc2)C[C@H]1C ZINC000540323056 503737559 /nfs/dbraw/zinc/73/75/59/503737559.db2.gz AAVZMBJQDISNDY-RTBURBONSA-N 2 0 353.510 3.381 20 0 FGADRP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000517491452 503756078 /nfs/dbraw/zinc/75/60/78/503756078.db2.gz KZSJSRYBBHTCHW-ROUUACIJSA-N 2 0 366.575 3.305 20 0 FGADRP C[C@@H]([NH2+]CCc1ccc(OCC[N@@H+]2C[C@H](C)[C@H](C)C2)cc1)c1nccn1C ZINC000540394218 503757850 /nfs/dbraw/zinc/75/78/50/503757850.db2.gz JMUGMLJJFUJQQX-CEXWTWQISA-N 2 0 370.541 3.280 20 0 FGADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)NC[C@H](c1ccccc1OC)[NH+]1CCCC1 ZINC000543417290 503762133 /nfs/dbraw/zinc/76/21/33/503762133.db2.gz RKLPAZRHJNGERY-FUHWJXTLSA-N 2 0 361.530 3.115 20 0 FGADRP C[C@@H]([NH2+]CCCn1c2ccccc2[nH]c1=O)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000543458985 503779922 /nfs/dbraw/zinc/77/99/22/503779922.db2.gz MOXOAXSVILINGN-IAGOWNOFSA-N 2 0 356.514 3.375 20 0 FGADRP Cc1ncc(C[NH2+]CCc2ccc(OCC[N@H+]3C[C@H](C)[C@H](C)C3)cc2)cn1 ZINC000537021842 503780313 /nfs/dbraw/zinc/78/03/13/503780313.db2.gz PACOLBALHCVOQU-HDICACEKSA-N 2 0 368.525 3.084 20 0 FGADRP C[C@H](C(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000517693359 503808980 /nfs/dbraw/zinc/80/89/80/503808980.db2.gz PNNRHVCIOIFCHN-XMSQKQJNSA-N 2 0 369.553 3.025 20 0 FGADRP CCC1(CC)[C@@H]([NH2+]CC2(N3CCCCC3)CC[NH+](C)CC2)C[C@@H]1OC ZINC000540593489 503826626 /nfs/dbraw/zinc/82/66/26/503826626.db2.gz HHXLZMFUEHVHBA-OALUTQOASA-N 2 0 351.579 3.120 20 0 FGADRP CCC1(CC)[C@H]([NH2+]CC2(N3CCCCC3)CC[NH+](C)CC2)C[C@@H]1OC ZINC000540593488 503826797 /nfs/dbraw/zinc/82/67/97/503826797.db2.gz HHXLZMFUEHVHBA-MOPGFXCFSA-N 2 0 351.579 3.120 20 0 FGADRP CCN1CCCC[C@H]1C[NH2+][C@@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21 ZINC000537193308 503835739 /nfs/dbraw/zinc/83/57/39/503835739.db2.gz BAYHYPRXKDHPPA-AZUAARDMSA-N 2 0 357.542 3.439 20 0 FGADRP C[C@H]1C[NH+](CCC2CC[NH+](Cc3ccc4c(c3)ncn4C)CC2)C[C@H](C)O1 ZINC000537204301 503841730 /nfs/dbraw/zinc/84/17/30/503841730.db2.gz ISHDDWJJVRCZDO-ROUUACIJSA-N 2 0 370.541 3.285 20 0 FGADRP C[C@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+][C@H](Cc1ccccc1)C(N)=O ZINC000543659279 503844099 /nfs/dbraw/zinc/84/40/99/503844099.db2.gz ZKSRRRQYIQXATD-PGRDOPGGSA-N 2 0 365.521 3.247 20 0 FGADRP CSC[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccc(-c3c[nH]cn3)cc2)C1 ZINC000517817572 503844898 /nfs/dbraw/zinc/84/48/98/503844898.db2.gz ZQHHSRXZEFGPLV-LSDHHAIUSA-N 2 0 358.511 3.479 20 0 FGADRP CC[NH+](CC)Cc1ccccc1CNC(=O)NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000527648047 503875452 /nfs/dbraw/zinc/87/54/52/503875452.db2.gz DDMPZBGNCHVMNR-NRFANRHFSA-N 2 0 372.557 3.345 20 0 FGADRP CCOc1c(Cl)cccc1C[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530249678 503893738 /nfs/dbraw/zinc/89/37/38/503893738.db2.gz XKYXEPDOXOEOOA-QGZVFWFLSA-N 2 0 352.906 3.329 20 0 FGADRP CC(C)[NH+]1CCC(NC(=O)[C@@H]2CCCN2Cc2ccc(Cl)cc2)CC1 ZINC000527711769 503907705 /nfs/dbraw/zinc/90/77/05/503907705.db2.gz OHHDYRZMKOJWRO-IBGZPJMESA-N 2 0 363.933 3.293 20 0 FGADRP CC[N@H+](C)Cc1cccc(CNC(=O)NCC[NH+]2[C@@H](C)CCC[C@@H]2C)c1 ZINC000518103855 503909829 /nfs/dbraw/zinc/90/98/29/503909829.db2.gz KEMANTDYLSDBMW-ROUUACIJSA-N 2 0 360.546 3.200 20 0 FGADRP CC(C)C[C@H]([NH2+][C@H]1CCSc2ccc(F)cc21)C(=O)NCC[NH+](C)C ZINC000537446221 503917491 /nfs/dbraw/zinc/91/74/91/503917491.db2.gz JLZSEEUJXSOHLT-IRXDYDNUSA-N 2 0 367.534 3.045 20 0 FGADRP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000518205933 503927871 /nfs/dbraw/zinc/92/78/71/503927871.db2.gz SLVJFKOTRWPCPR-IRXDYDNUSA-N 2 0 366.575 3.305 20 0 FGADRP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH2+]CCC(=O)Nc1ccccn1 ZINC000537507065 503936630 /nfs/dbraw/zinc/93/66/30/503936630.db2.gz QCSABYRIEODSIL-UHFFFAOYSA-N 2 0 354.498 3.158 20 0 FGADRP CC(C)[NH+](CCCNC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1)C(C)C ZINC000533913239 503987856 /nfs/dbraw/zinc/98/78/56/503987856.db2.gz OEDDBIOVDNVPBP-UXHICEINSA-N 2 0 360.546 3.240 20 0 FGADRP COc1ccc2nc(C[NH+]3CCC([C@@H]4C[C@H]([NH3+])CCO4)CC3)sc2c1 ZINC000518492089 504000165 /nfs/dbraw/zinc/00/01/65/504000165.db2.gz FKQMRBBRQOMPMF-PBHICJAKSA-N 2 0 361.511 3.023 20 0 FGADRP C[C@H]([NH2+]C[C@@H](n1cccn1)C(F)(F)F)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000527941412 504008518 /nfs/dbraw/zinc/00/85/18/504008518.db2.gz YVQOBGHOLOQULL-RYQLBKOJSA-N 2 0 366.431 3.487 20 0 FGADRP C[C@@H]1C[N@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)[C@@H]2CCCC[C@H]21 ZINC000541112255 504011808 /nfs/dbraw/zinc/01/18/08/504011808.db2.gz XXQGPLSPYZDHIP-BVYCBKJFSA-N 2 0 369.553 3.409 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)N1CC[C@@H]([NH+]2CCCCC2)C1)c1ccccc1 ZINC000518612075 504027505 /nfs/dbraw/zinc/02/75/05/504027505.db2.gz XDKZIKXXMYDSSW-RTWAWAEBSA-N 2 0 372.557 3.339 20 0 FGADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)[C@@H]1C[C@@H]1c1ccc(Cl)cc1Cl ZINC000530642147 504036123 /nfs/dbraw/zinc/03/61/23/504036123.db2.gz UJZZNVGXFQXVGG-HZPDHXFCSA-N 2 0 372.340 3.049 20 0 FGADRP C[C@H]([NH2+]C[C@H]1CCN1C1CCCC1)[C@H](c1ccccc1)N1CCOCC1 ZINC000528014441 504040360 /nfs/dbraw/zinc/04/03/60/504040360.db2.gz VVSYDEGBAOKUEK-VLCRHTCISA-N 2 0 357.542 3.055 20 0 FGADRP C[C@@H]1CN(C2CC2)C[C@H]1[NH2+]CCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000518757728 504055228 /nfs/dbraw/zinc/05/52/28/504055228.db2.gz JPXBQVCOUPANFH-MLGOLLRUSA-N 2 0 355.404 3.106 20 0 FGADRP C[NH+](C)CCOc1ccc(CC[NH2+]CC2=Cc3ccccc3OC2)cc1 ZINC000518776526 504060302 /nfs/dbraw/zinc/06/03/02/504060302.db2.gz BJBZDKNUOLVALG-UHFFFAOYSA-N 2 0 352.478 3.235 20 0 FGADRP OC1(C(F)(F)F)CCC([NH2+]CC2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000537935626 504088341 /nfs/dbraw/zinc/08/83/41/504088341.db2.gz YZCPHBWVFKKWAH-UHFFFAOYSA-N 2 0 357.420 3.124 20 0 FGADRP CC[NH+](CC)[C@H](C(=O)NCC[N@@H+](C)CC)c1cccc(C(F)(F)F)c1 ZINC000530814761 504095317 /nfs/dbraw/zinc/09/53/17/504095317.db2.gz SPGNGQYSGCXSBN-INIZCTEOSA-N 2 0 359.436 3.156 20 0 FGADRP CC[C@H](C(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1)[NH+](CC)CC ZINC000530820749 504095732 /nfs/dbraw/zinc/09/57/32/504095732.db2.gz RJOUEXAFPUVXSA-JZXOWHBKSA-N 2 0 351.560 3.368 20 0 FGADRP OC[C@H]1CCC[N@@H+]1CCCC[NH2+][C@H](c1ccc(F)cc1)c1ccccn1 ZINC000544355486 504101457 /nfs/dbraw/zinc/10/14/57/504101457.db2.gz RYLLTNQPUPRKLI-TZIWHRDSSA-N 2 0 357.473 3.137 20 0 FGADRP C[NH+](C)Cc1cccc(C[NH2+]C[C@H](O)CO[C@H]2CCCc3ccccc32)c1 ZINC000518963509 504104230 /nfs/dbraw/zinc/10/42/30/504104230.db2.gz AQBOOJGMZNMJCW-GMAHTHKFSA-N 2 0 368.521 3.293 20 0 FGADRP Cc1cnccc1NC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000534325967 504111147 /nfs/dbraw/zinc/11/11/47/504111147.db2.gz KHDNOBFEHZRTDE-GOSISDBHSA-N 2 0 358.873 3.424 20 0 FGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@@H](c2ccc3[nH]c(=O)oc3c2)C(C)C)CC1 ZINC000538098110 504132961 /nfs/dbraw/zinc/13/29/61/504132961.db2.gz AMLHAWHHWGLOIC-OXJNMPFZSA-N 2 0 374.529 3.094 20 0 FGADRP COc1ccccc1[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1)C1CCCC1 ZINC000538098107 504133317 /nfs/dbraw/zinc/13/33/17/504133317.db2.gz AMIBHMKXAGCKQX-WIYYLYMNSA-N 2 0 373.541 3.104 20 0 FGADRP CCCCOCC[NH2+][C@H](C)c1cc(F)ccc1N1CC[NH+](CC)CC1 ZINC000538212100 504163266 /nfs/dbraw/zinc/16/32/66/504163266.db2.gz BKIBQZZJENHREJ-QGZVFWFLSA-N 2 0 351.510 3.435 20 0 FGADRP CC[NH+](CC)CC1CC[NH+]([C@H](C)C(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)CC1 ZINC000519224216 504169298 /nfs/dbraw/zinc/16/92/98/504169298.db2.gz WJQMRQPYPKYLSU-PNYFIKQUSA-N 2 0 351.579 3.370 20 0 FGADRP CC(C)[NH+]1CCC(NC(=O)C[N@H+](C)[C@H]2CC[C@@H](C(F)(F)F)CC2)CC1 ZINC000519223740 504169349 /nfs/dbraw/zinc/16/93/49/504169349.db2.gz RHKLEXFTJSEOJM-FZNQNYSPSA-N 2 0 363.468 3.028 20 0 FGADRP Cc1cc(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)cc2cccnc12 ZINC000541536714 504169685 /nfs/dbraw/zinc/16/96/85/504169685.db2.gz JJTIIAJFUZQRDC-NQIIRXRSSA-N 2 0 352.526 3.001 20 0 FGADRP CN1CC[NH+](CC2(C)CC[NH+](C/C=C\c3ccc(F)cc3F)CC2)CC1 ZINC000544596638 504186280 /nfs/dbraw/zinc/18/62/80/504186280.db2.gz WAOHNYURDOGFRG-ARJAWSKDSA-N 2 0 363.496 3.328 20 0 FGADRP C[C@H]1[C@H](C)[N@H+](C)CCN1C(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000544605289 504188418 /nfs/dbraw/zinc/18/84/18/504188418.db2.gz JTURZJYRSNXYJB-ROUUACIJSA-N 2 0 374.529 3.108 20 0 FGADRP CC(C)(C)[NH+]1CCC(NC(=O)N2CC[NH+](CC3CCCCC3)CC2)CC1 ZINC000519343996 504197999 /nfs/dbraw/zinc/19/79/99/504197999.db2.gz MITDDNHYHDDHNC-UHFFFAOYSA-N 2 0 364.578 3.157 20 0 FGADRP CCc1ccc([C@H](CNC(=O)N(C)[C@@H](C)C2CC[NH+](C)CC2)[NH+](C)C)cc1 ZINC000544634771 504199949 /nfs/dbraw/zinc/19/99/49/504199949.db2.gz VFWHHZZMUUIINE-UWJYYQICSA-N 2 0 374.573 3.223 20 0 FGADRP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000519382359 504208213 /nfs/dbraw/zinc/20/82/13/504208213.db2.gz XUCHZYVWWFQULJ-IYWMVGAKSA-N 2 0 364.578 3.013 20 0 FGADRP C[NH+](C)CC1(CNC(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)CCCC1 ZINC000544701754 504225044 /nfs/dbraw/zinc/22/50/44/504225044.db2.gz RKDTYGQKVSODOX-HXUWFJFHSA-N 2 0 372.557 3.245 20 0 FGADRP C[C@H]([NH2+]C[C@H](CO)Cc1ccccc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000547827806 504238732 /nfs/dbraw/zinc/23/87/32/504238732.db2.gz AQWDUFKQCMZLEG-PMOQBDJRSA-N 2 0 352.522 3.338 20 0 FGADRP COc1cccc(Cl)c1C[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000541759293 504244514 /nfs/dbraw/zinc/24/45/14/504244514.db2.gz HEFSLSACJWHCSM-UHFFFAOYSA-N 2 0 365.949 3.198 20 0 FGADRP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000541813184 504262036 /nfs/dbraw/zinc/26/20/36/504262036.db2.gz RTMILKMVBXWXRJ-QGZVFWFLSA-N 2 0 364.578 3.155 20 0 FGADRP CC(C)C[C@H]([NH2+][C@H](C)c1cnc2ccsc2c1)C(=O)NCC[NH+](C)C ZINC000538545662 504279569 /nfs/dbraw/zinc/27/95/69/504279569.db2.gz XXELZBKZSIRJEY-PBHICJAKSA-N 2 0 362.543 3.039 20 0 FGADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H](O)COc2cccc3ccccc32)C[C@H]1C ZINC000531378473 504285440 /nfs/dbraw/zinc/28/54/40/504285440.db2.gz NZIIFSAFXZCOGL-YZGWKJHDSA-N 2 0 356.510 3.384 20 0 FGADRP COC(=O)c1cc2c(o1)c(OC)ccc2C[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000531380372 504286911 /nfs/dbraw/zinc/28/69/11/504286911.db2.gz MJPKNFMPILGJKO-UHFFFAOYSA-N 2 0 360.454 3.190 20 0 FGADRP C[C@H](c1cccc2ccccc21)[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000519654303 504290200 /nfs/dbraw/zinc/29/02/00/504290200.db2.gz REWFKCXRMZLGSU-IEBWSBKVSA-N 2 0 351.494 3.045 20 0 FGADRP CCN(CC)C(=O)[C@H](C)[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000534967356 504296137 /nfs/dbraw/zinc/29/61/37/504296137.db2.gz VQNQGRHQQHKOTR-IBGZPJMESA-N 2 0 357.542 3.231 20 0 FGADRP CCN(CC)C(=O)[C@@H](C)[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000534967357 504296814 /nfs/dbraw/zinc/29/68/14/504296814.db2.gz VQNQGRHQQHKOTR-LJQANCHMSA-N 2 0 357.542 3.231 20 0 FGADRP C(CC[N@@H+]1CCC[C@@H]([C@@H]2CCOC2)C1)C[NH+]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000535011614 504312484 /nfs/dbraw/zinc/31/24/84/504312484.db2.gz DUBVYFKQFANYMU-CIAFKFPVSA-N 2 0 364.574 3.264 20 0 FGADRP C[C@H]1C[N@H+](CCCOc2ccc(Cl)cc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000535013335 504312640 /nfs/dbraw/zinc/31/26/40/504312640.db2.gz YQKQMLYIASTUEH-PXNSSMCTSA-N 2 0 365.949 3.067 20 0 FGADRP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](C[C@@H]2CCc3ccccc3C2)CC1 ZINC000541985743 504324234 /nfs/dbraw/zinc/32/42/34/504324234.db2.gz LRNSJJQXYIGLAT-NJDAHSKKSA-N 2 0 355.570 3.282 20 0 FGADRP C[NH+](C)Cc1ccc(CNC(=O)[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1F ZINC000519776386 504335100 /nfs/dbraw/zinc/33/51/00/504335100.db2.gz NGVLDGOOVRGVGP-FQEVSTJZSA-N 2 0 369.484 3.026 20 0 FGADRP O=C(NC[C@@H]1CCC[N@@H+]1C1CCCCC1)Nc1ccc2c(c1)OCC[NH2+]C2 ZINC000528711117 504343320 /nfs/dbraw/zinc/34/33/20/504343320.db2.gz YCKIPRNPQHMMJE-IBGZPJMESA-N 2 0 372.513 3.087 20 0 FGADRP C[C@H]([NH2+]C[C@H](O)CCc1ccccc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000548158936 504352556 /nfs/dbraw/zinc/35/25/56/504352556.db2.gz LWUCJPHSPKVJNI-AJSBUHFISA-N 2 0 352.522 3.480 20 0 FGADRP C[NH+](C)CCOc1ccccc1N1CC[NH+](CCCc2ccsc2)CC1 ZINC000542104158 504365280 /nfs/dbraw/zinc/36/52/80/504365280.db2.gz LUUNWWMPRDWJJQ-UHFFFAOYSA-N 2 0 373.566 3.443 20 0 FGADRP O=C(NCc1ccn2ccnc2c1)[C@H]1CCCN1Cc1ccc(Cl)cc1 ZINC000528834812 504405987 /nfs/dbraw/zinc/40/59/87/504405987.db2.gz NEZIGPPBNFSPHF-GOSISDBHSA-N 2 0 368.868 3.269 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@@H]1CCC[NH+](Cc2cccc(F)c2)C1 ZINC000520093868 504410275 /nfs/dbraw/zinc/41/02/75/504410275.db2.gz FOHGHYPITHCQSR-IEBWSBKVSA-N 2 0 361.505 3.028 20 0 FGADRP C[C@@H]1C[N@@H+](CC2CC[NH+](CCc3cccc(F)c3F)CC2)C[C@H](C)O1 ZINC000542276932 504435303 /nfs/dbraw/zinc/43/53/03/504435303.db2.gz DJOWTTPOAPDNMZ-IYBDPMFKSA-N 2 0 352.469 3.329 20 0 FGADRP CC1CC[NH+]([C@H](CNC(=O)C23CCC[NH+]2CCC3)c2ccccc2)CC1 ZINC000548412175 504435575 /nfs/dbraw/zinc/43/55/75/504435575.db2.gz SFWOOPYHMUOANB-HXUWFJFHSA-N 2 0 355.526 3.204 20 0 FGADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@@H]1CCOC2(CCSCC2)C1 ZINC000542315951 504448168 /nfs/dbraw/zinc/44/81/68/504448168.db2.gz YHBLOOAIOMKAPH-QGZVFWFLSA-N 2 0 358.511 3.110 20 0 FGADRP Cc1cccc(C(=O)NCC[NH2+][C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000548482827 504461579 /nfs/dbraw/zinc/46/15/79/504461579.db2.gz GSTJVHNZHAEWDF-DENIHFKCSA-N 2 0 365.521 3.225 20 0 FGADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(OCCO)cc1 ZINC000539069944 504463536 /nfs/dbraw/zinc/46/35/36/504463536.db2.gz AXBIKQKOVWSFOG-AVRDEDQJSA-N 2 0 354.494 3.058 20 0 FGADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]C[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000539093314 504470952 /nfs/dbraw/zinc/47/09/52/504470952.db2.gz KXMCIIIYUGQGBZ-RKVPGOIHSA-N 2 0 366.347 3.205 20 0 FGADRP Fc1ccc([C@H]([NH2+]CCCN2CCN(c3cc[nH+]cc3)CC2)C2CC2)cc1 ZINC000539200987 504496488 /nfs/dbraw/zinc/49/64/88/504496488.db2.gz JCLOUFRCROTDTD-JOCHJYFZSA-N 2 0 368.500 3.474 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H](O)CCc1ccccc1 ZINC000542487446 504510202 /nfs/dbraw/zinc/51/02/02/504510202.db2.gz XZOMGEWZXRFVBO-PTUXOGIPSA-N 2 0 352.522 3.480 20 0 FGADRP CCC[NH+]1CCC([NH2+]C[C@H](CO)Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000539297100 504523220 /nfs/dbraw/zinc/52/32/20/504523220.db2.gz JLMKBCLTIABJCM-MRXNPFEDSA-N 2 0 358.448 3.320 20 0 FGADRP C[NH+](C)CCc1ccccc1NC(=O)NC[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000529079495 504523412 /nfs/dbraw/zinc/52/34/12/504523412.db2.gz TZCWXHWVLNMBRO-LJQANCHMSA-N 2 0 358.530 3.319 20 0 FGADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H]2CCCOc3cc(Cl)ccc32)CC1 ZINC000539307068 504524810 /nfs/dbraw/zinc/52/48/10/504524810.db2.gz NVZZJYNAJCQIAS-MAUKXSAKSA-N 2 0 351.922 3.169 20 0 FGADRP C[C@H](CCC(C)(C)C)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000542619898 504556214 /nfs/dbraw/zinc/55/62/14/504556214.db2.gz XGXYAISHJFPIDD-GOSISDBHSA-N 2 0 360.546 3.172 20 0 FGADRP C[NH+]1CCN(C[C@H]([NH2+][C@H]2CCc3cc(F)ccc32)c2ccccc2)CC1 ZINC000532221179 504577647 /nfs/dbraw/zinc/57/76/47/504577647.db2.gz XPLKCCXKOBAEKO-VXKWHMMOSA-N 2 0 353.485 3.391 20 0 FGADRP C[NH+]1CCN(C[C@@H]([NH2+][C@H]2CCc3cc(F)ccc32)c2ccccc2)CC1 ZINC000532221177 504577746 /nfs/dbraw/zinc/57/77/46/504577746.db2.gz XPLKCCXKOBAEKO-FCHUYYIVSA-N 2 0 353.485 3.391 20 0 FGADRP CC(C)(C(=O)Nc1ncc(C2CC[NH2+]CC2)s1)[C@H]([NH3+])c1ccccc1 ZINC000520771099 504578391 /nfs/dbraw/zinc/57/83/91/504578391.db2.gz PWKGVQTZVLOBLB-MRXNPFEDSA-N 2 0 358.511 3.275 20 0 FGADRP C[C@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+][C@@H]1CN(C2CC2)C[C@@H]1C ZINC000532246558 504584944 /nfs/dbraw/zinc/58/49/44/504584944.db2.gz UBNQPKLJWZVHRV-OGHNNQOOSA-N 2 0 369.431 3.495 20 0 FGADRP CCO[C@H]1C[C@H]([NH2+]Cc2ccc(CN3CC[NH+](CC)CC3)cc2)C12CCC2 ZINC000539499897 504591266 /nfs/dbraw/zinc/59/12/66/504591266.db2.gz MVXWTLMGRCOVLG-VXKWHMMOSA-N 2 0 371.569 3.261 20 0 FGADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N(C)[C@@H](C)C2CC[NH+](C)CC2)C1 ZINC000542747284 504594206 /nfs/dbraw/zinc/59/42/06/504594206.db2.gz ZIPSYKIMASEBOM-ZWKOTPCHSA-N 2 0 366.594 3.259 20 0 FGADRP CN(CCC(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1)c1cc[nH+]cc1 ZINC000542786724 504610768 /nfs/dbraw/zinc/61/07/68/504610768.db2.gz PZXOXJYLFLRHLO-OXQOHEQNSA-N 2 0 372.538 3.169 20 0 FGADRP CCC[NH+]1CCC(NC(=O)NC[C@@H]2CCC[N@@H+]2CC2CCCCC2)CC1 ZINC000520986731 504623127 /nfs/dbraw/zinc/62/31/27/504623127.db2.gz CGCOIAOGCRBUKV-FQEVSTJZSA-N 2 0 364.578 3.205 20 0 FGADRP CC[NH+]1CCN(Cc2ccc(C[NH2+][C@H]3CC(C)(C)OC3(C)C)cc2)CC1 ZINC000532447104 504655538 /nfs/dbraw/zinc/65/55/38/504655538.db2.gz NVNQZUYOEAJSCP-FQEVSTJZSA-N 2 0 359.558 3.260 20 0 FGADRP CN1CC[NH+](CCCC[NH2+][C@H]2CCc3ccc(Br)cc32)CC1 ZINC000549043096 504665679 /nfs/dbraw/zinc/66/56/79/504665679.db2.gz XZAGPQCCVIMPEH-SFHVURJKSA-N 2 0 366.347 3.054 20 0 FGADRP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCC[C@H](C(=O)N2CCCC2)C1 ZINC000539828161 504706118 /nfs/dbraw/zinc/70/61/18/504706118.db2.gz FESUFLZBFQDOQV-NRFANRHFSA-N 2 0 371.569 3.479 20 0 FGADRP C[C@@H](Cc1ccsc1)[NH+]1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000543078857 504716108 /nfs/dbraw/zinc/71/61/08/504716108.db2.gz CQGASBASFWTKQS-INIZCTEOSA-N 2 0 365.587 3.095 20 0 FGADRP CN(CC[N@H+](C)C1CC1)C(=O)N[C@H]1CC[NH+](Cc2ccccc2)CC1(C)C ZINC000549206545 504723765 /nfs/dbraw/zinc/72/37/65/504723765.db2.gz KEOMSXLHOABBHM-FQEVSTJZSA-N 2 0 372.557 3.023 20 0 FGADRP CC(C)c1ccc([C@H]([NH3+])CNC(=O)N2CCCC[C@H]2[C@@H]2CCC[NH2+]C2)cc1 ZINC000521411458 504730423 /nfs/dbraw/zinc/73/04/23/504730423.db2.gz DWTJBTAODHMKOC-NJYVYQBISA-N 2 0 372.557 3.374 20 0 FGADRP CC[C@H]1CCC[N@@H+]([C@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000532769748 504754878 /nfs/dbraw/zinc/75/48/78/504754878.db2.gz ASNHDFFNHGVXKQ-MOPGFXCFSA-N 2 0 357.542 3.278 20 0 FGADRP CC[N@H+](CCC1CC[NH+](CC(=O)N(C)Cc2ccccc2)CC1)CC1CC1 ZINC000540048111 504765994 /nfs/dbraw/zinc/76/59/94/504765994.db2.gz SRDDCHLXCVLDLH-UHFFFAOYSA-N 2 0 371.569 3.479 20 0 FGADRP Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)[C@]12C[NH2+]C[C@@H]1CCCC2 ZINC000565041507 504778842 /nfs/dbraw/zinc/77/88/42/504778842.db2.gz PRWGQXNFKTYYMT-GHTZIAJQSA-N 2 0 373.566 3.262 20 0 FGADRP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)CCOC[C@@H]3CCCO3)C2)s1 ZINC000565051667 504782230 /nfs/dbraw/zinc/78/22/30/504782230.db2.gz OSEDYOYAGNYOHV-ROUUACIJSA-N 2 0 352.544 3.006 20 0 FGADRP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1ccc(F)c2ccccc21 ZINC000556076802 504791536 /nfs/dbraw/zinc/79/15/36/504791536.db2.gz RKVKDQYKUCENBD-JKSUJKDBSA-N 2 0 357.473 3.217 20 0 FGADRP C[NH+]1CCN(c2ccc(C(F)(F)F)cc2C[NH2+][C@H]2CCOC2(C)C)CC1 ZINC000556093848 504795320 /nfs/dbraw/zinc/79/53/20/504795320.db2.gz NEYDPVHPONZWEH-KRWDZBQOSA-N 2 0 371.447 3.114 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC000553043600 504812635 /nfs/dbraw/zinc/81/26/35/504812635.db2.gz XDJVVQXHXDMDQH-HDICACEKSA-N 2 0 359.558 3.277 20 0 FGADRP Cc1ccccc1[C@H](CN1CCOCC1)[NH2+]CCCCC[NH+]1CCCC1 ZINC000556233531 504824385 /nfs/dbraw/zinc/82/43/85/504824385.db2.gz QIUQEPQEHZKDGY-QFIPXVFZSA-N 2 0 359.558 3.224 20 0 FGADRP C[N@@H+]1CCC[C@@]2(CCN(CC(=O)NCC3(c4ccccc4)CCCC3)C2)C1 ZINC000559310852 504827975 /nfs/dbraw/zinc/82/79/75/504827975.db2.gz FHNROFQJIDITHK-JOCHJYFZSA-N 2 0 369.553 3.032 20 0 FGADRP O[C@H](C[NH2+]C1CC[NH+](C2CCCCC2)CC1)COc1ccc(Cl)cc1 ZINC000565299046 504847756 /nfs/dbraw/zinc/84/77/56/504847756.db2.gz DPVATIYSTCOMAG-LJQANCHMSA-N 2 0 366.933 3.466 20 0 FGADRP CC(C)(C)[C@@H](CO)[NH2+]Cc1cc(Cl)cc(C[NH2+][C@H](CO)C(C)(C)C)c1 ZINC000562534333 504850373 /nfs/dbraw/zinc/85/03/73/504850373.db2.gz GDKBINDRFSNFQF-QZTJIDSGSA-N 2 0 370.965 3.333 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1cnc(C)n1-c1ccccc1 ZINC000565331313 504856127 /nfs/dbraw/zinc/85/61/27/504856127.db2.gz GOGGNUZMJZENOC-OAQYLSRUSA-N 2 0 369.557 3.029 20 0 FGADRP Clc1cccc(OCC[NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)c1Cl ZINC000565416071 504880782 /nfs/dbraw/zinc/88/07/82/504880782.db2.gz QMCYWERWXQVOST-NWANDNLSSA-N 2 0 359.297 3.119 20 0 FGADRP C[C@H]1CCCC[N@@H+]1CCC(=O)NC[C@@H]1CCC[NH+](Cc2cccs2)C1 ZINC000549750989 504888347 /nfs/dbraw/zinc/88/83/47/504888347.db2.gz PRLICOOXNFHFDP-ROUUACIJSA-N 2 0 363.571 3.341 20 0 FGADRP Cc1cn2cc(NC(=O)N[C@H]3CC[N@H+](Cc4ccccc4)[C@H]3C)ccc2n1 ZINC000565445857 504889099 /nfs/dbraw/zinc/88/90/99/504889099.db2.gz TTWGAGCGMAOFTE-LPHOPBHVSA-N 2 0 363.465 3.427 20 0 FGADRP CC[N@H+](Cc1ccc(C(=O)N2C[C@@H]([NH+]3CCCC3)C[C@H]2C)cc1)C1CC1 ZINC000553434941 504914264 /nfs/dbraw/zinc/91/42/64/504914264.db2.gz XQMNEBYVDZEOLY-UTKZUKDTSA-N 2 0 355.526 3.370 20 0 FGADRP CC[NH+](CC)C[C@H]1CCN(Cc2cccc(I)c2)C1 ZINC000556599134 504915789 /nfs/dbraw/zinc/91/57/89/504915789.db2.gz ZBODSUBRDRCKJN-OAHLLOKOSA-N 2 0 372.294 3.455 20 0 FGADRP CC(C)[N@H+](C)CC1CC[NH+](C[C@H]2CCN(C(=O)c3ccccc3)C2)CC1 ZINC000565579518 504928139 /nfs/dbraw/zinc/92/81/39/504928139.db2.gz FNUBQHWYZIDMQR-HXUWFJFHSA-N 2 0 357.542 3.201 20 0 FGADRP Oc1cccc2c1CCC[C@H]2[NH2+]CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000559892075 504945251 /nfs/dbraw/zinc/94/52/51/504945251.db2.gz ADVZIQSAZFRJKR-JOCHJYFZSA-N 2 0 365.521 3.177 20 0 FGADRP CCO[C@@H]1C[C@H]([NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3C)CC2)[C@H]1n1cccn1 ZINC000559924571 504951909 /nfs/dbraw/zinc/95/19/09/504951909.db2.gz MDSXZKULHXSXPR-AYZHRIAMSA-N 2 0 360.546 3.234 20 0 FGADRP Cc1[nH+]ccc(N2CCN([C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)c1Cl ZINC000553678551 504980636 /nfs/dbraw/zinc/98/06/36/504980636.db2.gz GGFGILIWAURWRT-LJQANCHMSA-N 2 0 370.928 3.440 20 0 FGADRP C[C@@H]([NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1-n1ccnn1 ZINC000556877593 505003417 /nfs/dbraw/zinc/00/34/17/505003417.db2.gz HNROKGJRKKYUAU-QUCCMNQESA-N 2 0 361.493 3.440 20 0 FGADRP C[C@H](CNC(=O)N(C)CCC[N@H+](C)Cc1ccco1)[NH+]1CCCC[C@@H]1C ZINC000553770718 505004951 /nfs/dbraw/zinc/00/49/51/505004951.db2.gz WBAPEGYHLCWJNO-ZWKOTPCHSA-N 2 0 364.534 3.006 20 0 FGADRP C[C@@H](OC[C@@H](O)C[NH2+]Cc1ccc2c[nH+]cn2c1)c1ccc(Cl)cc1 ZINC000562999198 505015030 /nfs/dbraw/zinc/01/50/30/505015030.db2.gz ZELXZVZMIZUEPW-KUHUBIRLSA-N 2 0 359.857 3.216 20 0 FGADRP C[NH+](C)CCOc1cccc(NC(=O)N2CCCC[C@H]2[C@H]2CCC[NH2+]C2)c1 ZINC000556932254 505021978 /nfs/dbraw/zinc/02/19/78/505021978.db2.gz LUHFDNQQTOHWSV-PXNSSMCTSA-N 2 0 374.529 3.013 20 0 FGADRP COc1cc(C[NH+]2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)ccc1OC(C)C ZINC000556963561 505032316 /nfs/dbraw/zinc/03/23/16/505032316.db2.gz PRTJBVYOZCBTHY-UYAOXDASSA-N 2 0 362.514 3.201 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)[C@H]1C[NH2+]Cc2ccccc21)c1ccsc1 ZINC000563060292 505036858 /nfs/dbraw/zinc/03/68/58/505036858.db2.gz CFRKZVZUHQEDBP-OALUTQOASA-N 2 0 357.523 3.134 20 0 FGADRP [NH3+]C[C@@H](NC(=O)N1CCc2ccccc2[C@H]1C[NH3+])c1ccc2ccccc2c1 ZINC000563092024 505046053 /nfs/dbraw/zinc/04/60/53/505046053.db2.gz IHIMDTUOPDFTAT-FGZHOGPDSA-N 2 0 374.488 3.107 20 0 FGADRP Cc1ccccc1[C@H]([NH3+])C(=O)Nc1ccc2ccn(CC[NH+](C)C)c2c1 ZINC000563210730 505076872 /nfs/dbraw/zinc/07/68/72/505076872.db2.gz KLTRKAXBPDZFLK-FQEVSTJZSA-N 2 0 350.466 3.150 20 0 FGADRP CN(CCC[N@H+](C)Cc1ccco1)C(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000563240137 505085779 /nfs/dbraw/zinc/08/57/79/505085779.db2.gz BTBVBHRHQGJJKI-UHFFFAOYSA-N 2 0 369.509 3.470 20 0 FGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]CCc2cscn2)CC1 ZINC000550711289 505088183 /nfs/dbraw/zinc/08/81/83/505088183.db2.gz ULFZAUAAYIACRL-OAHLLOKOSA-N 2 0 362.518 3.317 20 0 FGADRP C[C@H]([NH2+]C[C@@H](O)CO[C@@H](C)c1ccc(Cl)cc1)C1=CC[N@H+](C)CC1 ZINC000566131807 505092103 /nfs/dbraw/zinc/09/21/03/505092103.db2.gz PPZIIDRTAMFNFW-YZVOILCLSA-N 2 0 352.906 3.019 20 0 FGADRP C[C@@H]1C[C@H]1[N@@H+]1CCN(C(=O)[C@@H]2CCCC[NH+]2Cc2ccccc2)C[C@@H](C)C1 ZINC000554128615 505100047 /nfs/dbraw/zinc/10/00/47/505100047.db2.gz OYHXXIJSBCIVBQ-YUVXSKOASA-N 2 0 369.553 3.230 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)[C@H]1CC[NH2+][C@@H]1C)c1ccc(C(F)(F)F)cc1 ZINC000566163460 505101633 /nfs/dbraw/zinc/10/16/33/505101633.db2.gz GMWYXZVPTCGMNJ-XOKHGSTOSA-N 2 0 371.447 3.203 20 0 FGADRP O=C(CC[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2)N1CCCCC1 ZINC000563339139 505112995 /nfs/dbraw/zinc/11/29/95/505112995.db2.gz LHFDQNMQLTXHOM-HSZRJFAPSA-N 2 0 369.553 3.377 20 0 FGADRP COCC[N@H+](C)CC[C@H](N[C@@H]1CC[NH+](C)[C@H]2CCC[C@@H]21)c1ccccc1 ZINC000560528247 505115816 /nfs/dbraw/zinc/11/58/16/505115816.db2.gz OGWGOBDBGJONRX-MBDNFAEBSA-N 2 0 359.558 3.158 20 0 FGADRP FC(F)Cn1cc(CN2C[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)cn1 ZINC000560533575 505117097 /nfs/dbraw/zinc/11/70/97/505117097.db2.gz QQQHLJSBYNUBDZ-MOPGFXCFSA-N 2 0 360.452 3.102 20 0 FGADRP C[C@@H]([NH2+]Cc1cccc(C[NH+]2CCC(C)CC2)c1)C(C)(C)n1cncn1 ZINC000550891798 505121721 /nfs/dbraw/zinc/12/17/21/505121721.db2.gz NYAXNPBJEGZDGA-GOSISDBHSA-N 2 0 355.530 3.423 20 0 FGADRP COCC[N@@H+]1CC[C@@H](Nc2ccc(SCC[NH+]3CCCCC3)cc2)C1 ZINC000566247302 505122432 /nfs/dbraw/zinc/12/24/32/505122432.db2.gz LTABHDNWSCQATM-LJQANCHMSA-N 2 0 363.571 3.397 20 0 FGADRP COCC[N@@H+]1CC[C@H](Nc2ccc(SCC[NH+]3CCCCC3)cc2)C1 ZINC000566247301 505122646 /nfs/dbraw/zinc/12/26/46/505122646.db2.gz LTABHDNWSCQATM-IBGZPJMESA-N 2 0 363.571 3.397 20 0 FGADRP CC[C@@H]([NH2+][C@@H](CC(C)C)C(=O)NCC[NH+](C)C)c1cc(F)ccc1F ZINC000554264379 505128135 /nfs/dbraw/zinc/12/81/35/505128135.db2.gz LEHPTEGETQNBSF-MSOLQXFVSA-N 2 0 355.473 3.098 20 0 FGADRP Cc1cccc(N2CC[NH+](CCCC[NH2+][C@@H](C)[C@]3(C)CCCO3)CC2)c1 ZINC000551266882 505189227 /nfs/dbraw/zinc/18/92/27/505189227.db2.gz HATQIMSIXYZLJL-UNMCSNQZSA-N 2 0 359.558 3.444 20 0 FGADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+][C@H]3CCOC4(CCOCC4)C3)CC2)C1 ZINC000560921081 505211404 /nfs/dbraw/zinc/21/14/04/505211404.db2.gz VVAXCPPZKBUQDX-HOJAQTOUSA-N 2 0 350.547 3.347 20 0 FGADRP COc1cccc(C[NH+]2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)c1OC(C)C ZINC000560979713 505221380 /nfs/dbraw/zinc/22/13/80/505221380.db2.gz PFYHGVQAZIYCII-QUCCMNQESA-N 2 0 362.514 3.201 20 0 FGADRP Cc1ccccc1-n1cc(C[NH2+]CC2CC[NH+](CCC(C)C)CC2)nn1 ZINC000554717896 505248480 /nfs/dbraw/zinc/24/84/80/505248480.db2.gz IBNQACBTNKERRC-UHFFFAOYSA-N 2 0 355.530 3.423 20 0 FGADRP C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)NCc2ccccc2C[NH+]2CCCCCC2)C1 ZINC000561196951 505277530 /nfs/dbraw/zinc/27/75/30/505277530.db2.gz KENJAMGWYPNREL-UYAOXDASSA-N 2 0 372.557 3.331 20 0 FGADRP NC(=O)c1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)cc1 ZINC000563936790 505281399 /nfs/dbraw/zinc/28/13/99/505281399.db2.gz LHJCRDSUQARYOA-BDTNDASRSA-N 2 0 363.505 3.318 20 0 FGADRP C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000558022274 505287848 /nfs/dbraw/zinc/28/78/48/505287848.db2.gz FEHMUCFASXRIJL-YZGWKJHDSA-N 2 0 362.562 3.052 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1nc2ccc(F)cc2s1 ZINC000554882171 505289243 /nfs/dbraw/zinc/28/92/43/505289243.db2.gz HPFOGKMJTSDKMM-INIZCTEOSA-N 2 0 364.534 3.283 20 0 FGADRP CC[C@H]([NH2+]CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1)C(C)(C)C ZINC000561341628 505320028 /nfs/dbraw/zinc/32/00/28/505320028.db2.gz YHIDAMUDPBNOER-FQEVSTJZSA-N 2 0 359.558 3.490 20 0 FGADRP C[NH+](C)Cc1cccc(C(=O)NC[C@@H](C[NH+](C)C)c2ccc(Cl)cc2)c1 ZINC000552025916 505373566 /nfs/dbraw/zinc/37/35/66/505373566.db2.gz QCDCMRNSYTVJHL-IBGZPJMESA-N 2 0 373.928 3.477 20 0 FGADRP CC(C)N(CC[NH+](C)C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000555213824 505381051 /nfs/dbraw/zinc/38/10/51/505381051.db2.gz CAACIAMSRVPZFK-HXUWFJFHSA-N 2 0 374.573 3.269 20 0 FGADRP CS[C@H](CO)[C@H](C)[NH2+][C@@H]1CCCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000552047640 505381352 /nfs/dbraw/zinc/38/13/52/505381352.db2.gz TWXVVTVUEWKMHB-AYZHRIAMSA-N 2 0 362.583 3.379 20 0 FGADRP C[N@@H+]1CC[C@H]([NH2+]C[C@]2(Cc3ccc(F)cc3)CCC[C@@H]2O)[C@@H]2CCC[C@H]21 ZINC000552056613 505384021 /nfs/dbraw/zinc/38/40/21/505384021.db2.gz LIQSDOIZLAEEET-BIRZXAFVSA-N 2 0 360.517 3.362 20 0 FGADRP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)c2ccccc21 ZINC000555233731 505386339 /nfs/dbraw/zinc/38/63/39/505386339.db2.gz FJWLWMPBTRPNLH-IOMROCGXSA-N 2 0 374.525 3.259 20 0 FGADRP CNC(=O)C[C@@H](C)[NH2+][C@@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000555233284 505386463 /nfs/dbraw/zinc/38/64/63/505386463.db2.gz UFNHQKYIRRECKN-IZCLWAAWSA-N 2 0 363.933 3.368 20 0 FGADRP C[N@@H+]1CC[C@H](NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)[C@H]2CCC[C@@H]21 ZINC000552063730 505387157 /nfs/dbraw/zinc/38/71/57/505387157.db2.gz KMYHRXXUTPZXLN-QEXNXIHPSA-N 2 0 359.480 3.254 20 0 FGADRP C[C@H](O)C[NH+]1CCC(C[N@H+](C)CCn2ccc3cc(Cl)ccc32)CC1 ZINC000558457072 505394953 /nfs/dbraw/zinc/39/49/53/505394953.db2.gz DZXGQBGRNXJLQR-INIZCTEOSA-N 2 0 363.933 3.319 20 0 FGADRP CN(C[C@H](O)C[NH2+][C@H]1CCCN(c2ccc(Cl)cc2Cl)C1)C1CC1 ZINC000564444857 505421330 /nfs/dbraw/zinc/42/13/30/505421330.db2.gz XIEVTTFRLJULEV-GOEBONIOSA-N 2 0 372.340 3.007 20 0 FGADRP CN(C[C@@H](O)C[NH2+][C@@H]1CCCN(c2ccc(Cl)cc2Cl)C1)C1CC1 ZINC000564444861 505421779 /nfs/dbraw/zinc/42/17/79/505421779.db2.gz XIEVTTFRLJULEV-ZBFHGGJFSA-N 2 0 372.340 3.007 20 0 FGADRP C/C(=C/c1ccccc1OC(F)F)C[NH2+][C@H](C)CCN1CC[NH+](C)CC1 ZINC000567315284 505425105 /nfs/dbraw/zinc/42/51/05/505425105.db2.gz KWVTZNYSTLGIFV-YHKKIHSWSA-N 2 0 367.484 3.307 20 0 FGADRP CCc1ccccc1[C@H]([NH3+])CNC(=O)Nc1cc(C[NH+](C)C)ccc1OC ZINC000567333358 505432486 /nfs/dbraw/zinc/43/24/86/505432486.db2.gz UHNGCKIEWCUJRV-GOSISDBHSA-N 2 0 370.497 3.141 20 0 FGADRP COCC[C@](C)(O)C[NH2+][C@@H]1CCCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000552245005 505440064 /nfs/dbraw/zinc/44/00/64/505440064.db2.gz QBDLODSKGPQEED-YSFYHYPLSA-N 2 0 360.542 3.054 20 0 FGADRP O=C(C[NH2+]C1CCC(c2ccc(O)cc2)CC1)NCC[NH+]1CCCCCC1 ZINC000552279474 505449043 /nfs/dbraw/zinc/44/90/43/505449043.db2.gz MCFQGAMWWPNTDI-UHFFFAOYSA-N 2 0 373.541 3.000 20 0 FGADRP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]CCn2cc(Br)cn2)CC1 ZINC000552335522 505464305 /nfs/dbraw/zinc/46/43/05/505464305.db2.gz VIXKPNXHVWXRAI-RHSMWYFYSA-N 2 0 369.351 3.278 20 0 FGADRP C[C@@H]([NH2+][C@@H](C)C(=O)N1CCCC[C@H]1C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000561953250 505477134 /nfs/dbraw/zinc/47/71/34/505477134.db2.gz NHJNDDCAMNWKJA-WERVVEIQSA-N 2 0 357.542 3.276 20 0 FGADRP CN1CC[NH+](CC2CC[NH+]([C@@H]3CC[C@@](C)(c4ccccc4)C3)CC2)CC1 ZINC000561976432 505483442 /nfs/dbraw/zinc/48/34/42/505483442.db2.gz FKAXGDNHVGNWPL-DHIUTWEWSA-N 2 0 355.570 3.456 20 0 FGADRP COC1CCN(C2(C[NH2+][C@H]3CCO[C@@H](C(F)(F)F)C3)CCCC2)CC1 ZINC000562040309 505498775 /nfs/dbraw/zinc/49/87/75/505498775.db2.gz ZBQGHISZNVLIAM-GOEBONIOSA-N 2 0 364.452 3.110 20 0 FGADRP CC[NH+]1CCN(c2ccccc2NC(=O)c2ccc([C@@H](C)[NH3+])cc2)CC1 ZINC000564733137 505505372 /nfs/dbraw/zinc/50/53/72/505505372.db2.gz UGOKTDGZCQFQIN-MRXNPFEDSA-N 2 0 352.482 3.101 20 0 FGADRP CC(C)[C@H](C[NH2+][C@H]1CCCc2c3ccccc3[nH]c21)N1CC[NH+](C)CC1 ZINC000564755447 505511297 /nfs/dbraw/zinc/51/12/97/505511297.db2.gz ZDPFFDJPGBRPKB-SFTDATJTSA-N 2 0 354.542 3.407 20 0 FGADRP COc1ccc(Cl)cc1NC(=O)CCN1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000564787848 505519958 /nfs/dbraw/zinc/51/99/58/505519958.db2.gz JZFOUJPTIYBTCO-DOTOQJQBSA-N 2 0 365.905 3.284 20 0 FGADRP FC(F)(F)COc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)cn1 ZINC000567641325 505522134 /nfs/dbraw/zinc/52/21/34/505522134.db2.gz VOJJRWWQXCLGJU-HRCADAONSA-N 2 0 357.420 3.423 20 0 FGADRP CC(C)c1nn(-c2ccccc2)cc1C[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000567651024 505525440 /nfs/dbraw/zinc/52/54/40/505525440.db2.gz CRUKSKXFJWGOSN-UHFFFAOYSA-N 2 0 369.557 3.065 20 0 FGADRP C[N@@H+]1CCC[C@H](CC[NH2+]CCS(=O)(=O)c2ccc(C(C)(C)C)cc2)C1 ZINC000567693554 505538900 /nfs/dbraw/zinc/53/89/00/505538900.db2.gz WONVHDXRPYOBGN-QGZVFWFLSA-N 2 0 366.571 3.079 20 0 FGADRP C[C@H]([NH3+])C1CCN(C(=O)NCC[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC000567715188 505546782 /nfs/dbraw/zinc/54/67/82/505546782.db2.gz SOJSINBPCKIKBK-BJLQDIEVSA-N 2 0 372.557 3.056 20 0 FGADRP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@H+]2CCC[C@H](C)[C@@H]2C)CC1 ZINC000562241332 505549650 /nfs/dbraw/zinc/54/96/50/505549650.db2.gz OZRZYPQPIXBAQS-ICSRJNTNSA-N 2 0 357.542 3.150 20 0 FGADRP COc1ccc([C@@H](C[NH+](C)C)NC(=O)CC[N@H+](C)C2CCCCC2)cc1 ZINC000552817735 505559612 /nfs/dbraw/zinc/55/96/12/505559612.db2.gz YSKCPRHPRZBPOA-HXUWFJFHSA-N 2 0 361.530 3.069 20 0 FGADRP C[C@@H](C[NH+]1CCC[C@@H]1[C@@H]1CCCOC1)C[N@@H+]1CCC[C@H]1[C@@H]1CCCOC1 ZINC000567790152 505563315 /nfs/dbraw/zinc/56/33/15/505563315.db2.gz QEEZJJOTWQOQGK-CSEOROSGSA-N 2 0 364.574 3.405 20 0 FGADRP C[C@H](C1CC1)N(Cc1ccccc1)C(=O)C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000567889415 505570086 /nfs/dbraw/zinc/57/00/86/505570086.db2.gz WLOBVYCVQCIWLW-GCJKJVERSA-N 2 0 369.553 3.135 20 0 FGADRP Cc1cccc(C)c1OC[C@@H](O)C[NH2+]Cc1ccc(C[NH+](C)C)c(F)c1 ZINC000567891648 505570243 /nfs/dbraw/zinc/57/02/43/505570243.db2.gz NIUWBEXYXMMGNR-IBGZPJMESA-N 2 0 360.473 3.034 20 0 FGADRP CCOC(=O)c1nc(-c2ccccc2)oc1C[NH+]1CCC(CC[NH2+]C)CC1 ZINC000567891271 505570314 /nfs/dbraw/zinc/57/03/14/505570314.db2.gz WGPQFDVQITXUEL-UHFFFAOYSA-N 2 0 371.481 3.340 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)[C@@H]3CCCC[NH+]3C)cc2)C1 ZINC000599312391 506406577 /nfs/dbraw/zinc/40/65/77/506406577.db2.gz JIHFDNXNGTXPOX-UEXGIBASSA-N 2 0 357.542 3.265 20 0 FGADRP C[C@H](NC(=O)NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1)[C@H]1CCC[NH2+]C1 ZINC000582774532 506413351 /nfs/dbraw/zinc/41/33/51/506413351.db2.gz OZVCTWYBVUYQJA-LQWHRVPQSA-N 2 0 372.557 3.106 20 0 FGADRP CC[N@H+](C)[C@H](C(=O)N1CC[C@@H]([NH+](C)Cc2ccccc2)C1)c1ccccc1 ZINC000608165577 506448692 /nfs/dbraw/zinc/44/86/92/506448692.db2.gz RPSVLQUXZLDYIK-YADHBBJMSA-N 2 0 365.521 3.412 20 0 FGADRP Cc1ccccc1C[N@@H+]1CCCN(C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000612186621 506477496 /nfs/dbraw/zinc/47/74/96/506477496.db2.gz FCOBCGPPKDDSCD-UHFFFAOYSA-N 2 0 372.557 3.088 20 0 FGADRP COC(=O)c1ccc(Cl)c(C[N@@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)c1 ZINC000589197651 506479259 /nfs/dbraw/zinc/47/92/59/506479259.db2.gz HYBQNCSIWOKXNA-MRXNPFEDSA-N 2 0 350.890 3.290 20 0 FGADRP C[C@H]1C[C@H]([NH3+])CCN1C(=O)c1cccc(C[N@H+](C)Cc2ccccc2)c1 ZINC000582972058 506516787 /nfs/dbraw/zinc/51/67/87/506516787.db2.gz CEQGPLHYQQVOGQ-LAUBAEHRSA-N 2 0 351.494 3.270 20 0 FGADRP COC(=O)c1ccc(Cl)c(C[NH2+]CC2(SC)CC[NH+](C)CC2)c1 ZINC000589517625 506576409 /nfs/dbraw/zinc/57/64/09/506576409.db2.gz OEVYVGATXWHBRD-UHFFFAOYSA-N 2 0 356.919 3.044 20 0 FGADRP CC[NH+](Cc1ccccc1C[N@H+](CC)C[C@H]1CCOC1)C[C@H]1CCOC1 ZINC000604053815 506700592 /nfs/dbraw/zinc/70/05/92/506700592.db2.gz UKPIKLSCTYOQQL-WOJBJXKFSA-N 2 0 360.542 3.403 20 0 FGADRP C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)C[N@@H+]1CC[C@H](c2nccn2C)C1 ZINC000583330106 506721021 /nfs/dbraw/zinc/72/10/21/506721021.db2.gz MZWDYYOMYAZIMW-HOCLYGCPSA-N 2 0 360.889 3.082 20 0 FGADRP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3ccc(-c4scnc4C)cc3)C2)CC1 ZINC000597003865 506726293 /nfs/dbraw/zinc/72/62/93/506726293.db2.gz UBABFLYVDNDEAZ-FQEVSTJZSA-N 2 0 370.566 3.330 20 0 FGADRP O=C(NCc1ccc(C[NH+]2CCCCCC2)cc1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000604185207 506740527 /nfs/dbraw/zinc/74/05/27/506740527.db2.gz QUCPVRYPPIFTJE-HXUWFJFHSA-N 2 0 370.541 3.099 20 0 FGADRP C[NH+](C)CC1CC[NH+](C[C@@H](O)COc2cc(Cl)ccc2Cl)CC1 ZINC000590125587 506743770 /nfs/dbraw/zinc/74/37/70/506743770.db2.gz ASFPDUYKJZOYMV-OAHLLOKOSA-N 2 0 361.313 3.007 20 0 FGADRP COC(=O)c1oc(C[NH2+]CC2CC[NH+](Cc3ccccc3)CC2)cc1C ZINC000597046478 506747909 /nfs/dbraw/zinc/74/79/09/506747909.db2.gz FQMPOCXBGQXIHH-UHFFFAOYSA-N 2 0 356.466 3.376 20 0 FGADRP CC[C@@H](C)[N@H+](C)CCNC(=O)[C@H](C)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000600092927 506772908 /nfs/dbraw/zinc/77/29/08/506772908.db2.gz SGXDGJYPJCYSOD-MOPGFXCFSA-N 2 0 359.558 3.176 20 0 FGADRP COCCc1ccc(OC[C@H](C)[NH2+]CC2(SC)CC[NH+](C)CC2)cc1 ZINC000597131633 506793408 /nfs/dbraw/zinc/79/34/08/506793408.db2.gz CSFPRMNUDJDDJV-KRWDZBQOSA-N 2 0 366.571 3.060 20 0 FGADRP CC(C)[N@H+](C)CC1CC[NH+]([C@@H]2CCCN(c3cccc(F)c3)C2=O)CC1 ZINC000604384547 506810180 /nfs/dbraw/zinc/81/01/80/506810180.db2.gz WAVXYRNTUPTCJF-HXUWFJFHSA-N 2 0 361.505 3.373 20 0 FGADRP COC(=O)c1cc(CN[C@@H](Cc2nccn2C)c2ccccc2)oc1C ZINC000597208733 506837450 /nfs/dbraw/zinc/83/74/50/506837450.db2.gz GNTOEJLLBZELIU-SFHVURJKSA-N 2 0 353.422 3.182 20 0 FGADRP COC(=O)c1cccc(C[N@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)n1 ZINC000583544858 506838124 /nfs/dbraw/zinc/83/81/24/506838124.db2.gz HLFZJOADRVLIOG-UHFFFAOYSA-N 2 0 368.481 3.002 20 0 FGADRP C[NH+](C)CC[C@H](NC(=O)NC[C@H](c1ccsc1)[NH+](C)C)C(C)(C)C ZINC000604776303 506937885 /nfs/dbraw/zinc/93/78/85/506937885.db2.gz DAZBESNWFAYLOF-CVEARBPZSA-N 2 0 354.564 3.016 20 0 FGADRP CC(C)[N@H+](C)CC1CC[NH+](CC(=O)NCc2cccc(Cl)c2)CC1 ZINC000590787207 506958219 /nfs/dbraw/zinc/95/82/19/506958219.db2.gz UUXVSKRZDFEDNI-UHFFFAOYSA-N 2 0 351.922 3.008 20 0 FGADRP C[C@H]([C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+](C)CCCNC(=O)C1CCC1 ZINC000583961965 507071946 /nfs/dbraw/zinc/07/19/46/507071946.db2.gz YSPQYWFNGGBDIB-NQIIRXRSSA-N 2 0 357.542 3.135 20 0 FGADRP CCOC(=O)C1([C@@H](C)[NH2+]Cc2ccnc(-c3ccccc3)c2)CC[NH2+]CC1 ZINC000600710576 507076372 /nfs/dbraw/zinc/07/63/72/507076372.db2.gz OTUKPPAYMJDEMQ-QGZVFWFLSA-N 2 0 367.493 3.160 20 0 FGADRP C[NH+](C)CC[C@@H]([NH2+]CC1(O)CCC(C(=O)OC(C)(C)C)CC1)C(C)(C)C ZINC000600723881 507083279 /nfs/dbraw/zinc/08/32/79/507083279.db2.gz MUEIGGRCTYCZRH-BQIYRTECSA-N 2 0 370.578 3.205 20 0 FGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCc1ccccc1C[NH+]1CCC[C@@H](C)C1 ZINC000591096978 507112903 /nfs/dbraw/zinc/11/29/03/507112903.db2.gz PCSJLSVEWVHIFT-WIYYLYMNSA-N 2 0 357.542 3.409 20 0 FGADRP C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)NC[C@H]2CCC[C@H]([NH3+])C2)C1 ZINC000584042151 507118063 /nfs/dbraw/zinc/11/80/63/507118063.db2.gz DQFPGWFDSKBDRI-LQWHRVPQSA-N 2 0 372.557 3.235 20 0 FGADRP C[NH+](C)[C@H](CNC(=O)NCCCCC[NH+]1CCCCC1)c1cccs1 ZINC000600903011 507172543 /nfs/dbraw/zinc/17/25/43/507172543.db2.gz XHPCVGPESMWOGE-QGZVFWFLSA-N 2 0 366.575 3.306 20 0 FGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+][C@@H](C)c2cncnc2C)CC1 ZINC000584182661 507199149 /nfs/dbraw/zinc/19/91/49/507199149.db2.gz HPOKLPFZQLGQHB-IRXDYDNUSA-N 2 0 371.504 3.478 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)NC[C@H](C1CC1)[NH+](C)C ZINC000591438018 507249078 /nfs/dbraw/zinc/24/90/78/507249078.db2.gz PEEOOHSQGLYUNB-YLJYHZDGSA-N 2 0 373.541 3.010 20 0 FGADRP [NH3+][C@@H](CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)Cc1ccccc1 ZINC000584289304 507261812 /nfs/dbraw/zinc/26/18/12/507261812.db2.gz DMLHZQKWKIWEPH-LJQANCHMSA-N 2 0 369.534 3.134 20 0 FGADRP CCc1ccc([C@@H](CNC(=O)NC[C@@H](C(C)C)[NH+]2CCCC2)[NH+](C)C)cc1 ZINC000591541847 507283367 /nfs/dbraw/zinc/28/33/67/507283367.db2.gz OGYUQDVZWNNZRD-LEWJYISDSA-N 2 0 374.573 3.271 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)N1CCC[C@H]1C[NH+]1CCCC1)c1ccccc1 ZINC000591543852 507284095 /nfs/dbraw/zinc/28/40/95/507284095.db2.gz PTMJCEJKFJFBNL-SFTDATJTSA-N 2 0 372.557 3.339 20 0 FGADRP CC(C)[C@H](CNC(=O)NCc1cccc(C[NH+]2CCCC2)c1)[NH+]1CCCC1 ZINC000591556746 507290233 /nfs/dbraw/zinc/29/02/33/507290233.db2.gz OBZLGEHPSJPERI-NRFANRHFSA-N 2 0 372.557 3.202 20 0 FGADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)N2CCC[C@H]2C[NH+]2CCCC2)C1 ZINC000591572871 507297542 /nfs/dbraw/zinc/29/75/42/507297542.db2.gz RCTRWABUPBKSKK-GIVPXCGWSA-N 2 0 370.541 3.092 20 0 FGADRP CC(C)[NH2+][C@@H]1CCCN(C(=O)NCc2ccc(N3CCCCCC3)nc2)C1 ZINC000601236077 507305019 /nfs/dbraw/zinc/30/50/19/507305019.db2.gz AOWOBILYGIEETG-LJQANCHMSA-N 2 0 373.545 3.134 20 0 FGADRP O=C(Nc1ccc(CC[NH+]2CCCCC2)cc1)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000594901605 507309543 /nfs/dbraw/zinc/30/95/43/507309543.db2.gz MNMSLCGCFUSACE-OAQYLSRUSA-N 2 0 370.541 3.321 20 0 FGADRP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCC[C@H]([NH2+]C(C)C)C2)C1 ZINC000601341168 507339233 /nfs/dbraw/zinc/33/92/33/507339233.db2.gz KPJLVBGZPWIEHO-ROUUACIJSA-N 2 0 352.567 3.059 20 0 FGADRP C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)N2CCC3(C[NH+](C)C3)C2)c1 ZINC000614038656 507341991 /nfs/dbraw/zinc/34/19/91/507341991.db2.gz XAVRNVMCFMUEIK-UHFFFAOYSA-N 2 0 363.505 3.096 20 0 FGADRP COC(=O)CC(C)(C)C[C@@H](C)[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000595064710 507374225 /nfs/dbraw/zinc/37/42/25/507374225.db2.gz AQIHLCNHBFLRKT-QGZVFWFLSA-N 2 0 361.530 3.251 20 0 FGADRP [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000584519580 507390862 /nfs/dbraw/zinc/39/08/62/507390862.db2.gz FPLDCFGTPJYQHM-PCCBWWKXSA-N 2 0 372.557 3.105 20 0 FGADRP CC[NH+](CC)Cc1cccc(CNC(=O)N2CC[N@H+](C)C[C@@H]2C(C)C)c1 ZINC000606636572 507461483 /nfs/dbraw/zinc/46/14/83/507461483.db2.gz UZRWUFGGIQVICH-HXUWFJFHSA-N 2 0 360.546 3.010 20 0 FGADRP Cc1oc(-c2cccs2)nc1C[NH+]1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000584771682 507496225 /nfs/dbraw/zinc/49/62/25/507496225.db2.gz XPTFKEFZMSUUMN-NVXWUHKLSA-N 2 0 361.511 3.430 20 0 FGADRP C[C@@H](C(=O)N1CCC[N@H+](Cc2ccccc2)C[C@@H]1C)[NH+]1CCCCCC1 ZINC000607088666 507608249 /nfs/dbraw/zinc/60/82/49/507608249.db2.gz NWFSZSFGRIISCT-PMACEKPBSA-N 2 0 357.542 3.374 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[NH+](Cc3ccccc3)C2)C[C@@H]1C ZINC000607123800 507620320 /nfs/dbraw/zinc/62/03/20/507620320.db2.gz PARSLYJUILRARC-TYPHKJRUSA-N 2 0 357.542 3.230 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[NH+](Cc3ccccc3)C2)C[C@H]1C ZINC000607123796 507621254 /nfs/dbraw/zinc/62/12/54/507621254.db2.gz PARSLYJUILRARC-NRSPTQNISA-N 2 0 357.542 3.230 20 0 FGADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)N1CCC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000607231427 507663103 /nfs/dbraw/zinc/66/31/03/507663103.db2.gz RXGLVBMWJRBLCR-VQTJNVASSA-N 2 0 372.557 3.167 20 0 FGADRP CCOC(=O)C1([C@@H](C)[NH2+]C2(c3ccccc3Cl)CC2)CC[NH2+]CC1 ZINC000592470700 507669949 /nfs/dbraw/zinc/66/99/49/507669949.db2.gz DLDRSYVFAYKLPT-CQSZACIVSA-N 2 0 350.890 3.240 20 0 FGADRP C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)[C@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000614836532 507670111 /nfs/dbraw/zinc/67/01/11/507670111.db2.gz VQHSGBKTGYVAST-HJNYFJLDSA-N 2 0 369.553 3.026 20 0 FGADRP C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)[C@@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000614836531 507670250 /nfs/dbraw/zinc/67/02/50/507670250.db2.gz VQHSGBKTGYVAST-FCEUIQTBSA-N 2 0 369.553 3.026 20 0 FGADRP Cc1cc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)ccc1I ZINC000592470798 507670453 /nfs/dbraw/zinc/67/04/53/507670453.db2.gz IMPYZOHEVUWYHF-QLFBSQMISA-N 2 0 370.278 3.077 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C)c1cccc(OC)c1 ZINC000607279468 507675857 /nfs/dbraw/zinc/67/58/57/507675857.db2.gz XSGLFYHSSYBGTG-QKLQHJQFSA-N 2 0 361.530 3.067 20 0 FGADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2C)C1 ZINC000779054538 724385113 /nfs/dbraw/zinc/38/51/13/724385113.db2.gz PZIOUIUIJNMXGZ-KURKYZTESA-N 2 0 353.551 3.342 20 0 FGADRP CC[C@H]([NH2+]CCN1CC[NH+](Cc2ccccc2)CC1)c1ccc(F)cn1 ZINC000390838991 568309896 /nfs/dbraw/zinc/30/98/96/568309896.db2.gz BFWUIXFGISCEJB-FQEVSTJZSA-N 2 0 356.489 3.079 20 0 FGADRP C[C@@H]([NH2+]C1CCC([NH+]2CCCCC2)CC1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824539625 609147323 /nfs/dbraw/zinc/14/73/23/609147323.db2.gz OUPZBKVIMGEULX-ODIFPOPNSA-N 2 0 372.492 3.454 20 0 FGADRP Cc1ccc(NC(=S)N(CCC[NH+](C)C)CCC[NH+](C)C)c(C)c1 ZINC000016184145 695625925 /nfs/dbraw/zinc/62/59/25/695625925.db2.gz HSCFVRJJEDMNCT-UHFFFAOYSA-N 2 0 350.576 3.206 20 0 FGADRP CC(C)COC(=O)N1CCC([NH2+]CCCC[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000089139065 700382648 /nfs/dbraw/zinc/38/26/48/700382648.db2.gz WKBWAAXQPSCWNA-GOSISDBHSA-N 2 0 353.551 3.345 20 0 FGADRP C[N@@H+]1CCCN(CCC[NH2+]Cc2c(Cl)cccc2N2CCCC2)CC1 ZINC000092389656 700435433 /nfs/dbraw/zinc/43/54/33/700435433.db2.gz BUGLUFZAGRFUEQ-UHFFFAOYSA-N 2 0 364.965 3.057 20 0 FGADRP COCC[N@H+](C)CCCC1CC[NH+](C[C@H](O)c2ccccc2Cl)CC1 ZINC000122169565 700685514 /nfs/dbraw/zinc/68/55/14/700685514.db2.gz PPLARWTXNPMCFK-FQEVSTJZSA-N 2 0 368.949 3.444 20 0 FGADRP CC(C)(C)OC(=O)N[C@H]1CCC[C@H]([NH2+]C2CC[NH+](CC3CC3)CC2)C1 ZINC000130229681 700798249 /nfs/dbraw/zinc/79/82/49/700798249.db2.gz BJYRCLDEHZURCX-ROUUACIJSA-N 2 0 351.535 3.286 20 0 FGADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H]2CCSc3c(Cl)cccc32)CC1 ZINC000155727968 705089166 /nfs/dbraw/zinc/08/91/66/705089166.db2.gz ANFNZZJMHBVUMM-YOEHRIQHSA-N 2 0 353.963 3.493 20 0 FGADRP CCN1CC[NH+](CCCC[NH2+][C@@H]2CCSc3c(F)cccc32)CC1 ZINC000178005355 705650465 /nfs/dbraw/zinc/65/04/65/705650465.db2.gz IWEQLANQWVMBNK-GOSISDBHSA-N 2 0 351.535 3.370 20 0 FGADRP C[C@@H]([NH2+]CCC1CC[NH+](C)CC1)[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000182634036 705854058 /nfs/dbraw/zinc/85/40/58/705854058.db2.gz NXFYVOSCOJCGPE-SJLPKXTDSA-N 2 0 353.551 3.486 20 0 FGADRP COc1ccc([C@H](C)[NH2+][C@@H](C)[C@@H](CO)SC)cc1C[NH+]1CCCCC1 ZINC000183003487 705873422 /nfs/dbraw/zinc/87/34/22/705873422.db2.gz ILEQNMMQBNETII-TWOQFEAHSA-N 2 0 366.571 3.444 20 0 FGADRP C#CCOc1ccc(Br)cc1C[NH2+]CCC1CC[NH+](C)CC1 ZINC000237106391 713587720 /nfs/dbraw/zinc/58/77/20/713587720.db2.gz WOVXGJBPWZIZBX-UHFFFAOYSA-N 2 0 365.315 3.283 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)C[C@@H]1CCC[C@H]1[NH3+])c1ccccc1Cl ZINC000261759161 713713797 /nfs/dbraw/zinc/71/37/97/713713797.db2.gz NJVHAKYFELNOLS-QGTPRVQTSA-N 2 0 351.922 3.357 20 0 FGADRP C[C@H](C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1)c1cccc(Cl)c1 ZINC000261955063 713716403 /nfs/dbraw/zinc/71/64/03/713716403.db2.gz OOKQXYYAKMGISX-GPMSIDNRSA-N 2 0 363.933 3.024 20 0 FGADRP C[C@H](C[C@@H]1CCCN1C(=O)OC(C)(C)C)[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000310591321 713799725 /nfs/dbraw/zinc/79/97/25/713799725.db2.gz GHIFSHHEEWGIGZ-TVFCKZIOSA-N 2 0 351.535 3.381 20 0 FGADRP C[C@@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1cc(Br)cs1 ZINC000365889251 713858935 /nfs/dbraw/zinc/85/89/35/713858935.db2.gz SWHBFYNKAJAJDX-TZMCWYRMSA-N 2 0 372.376 3.330 20 0 FGADRP c1coc(-c2ncc(C[NH+]3CCC(CC[NH+]4CCOCC4)CC3)s2)c1 ZINC000373894002 713880890 /nfs/dbraw/zinc/88/08/90/713880890.db2.gz HWLQKPIAFAKHKC-UHFFFAOYSA-N 2 0 361.511 3.337 20 0 FGADRP C[NH+]1CCN(C(C)(C)C[NH2+][C@H]2CCSc3ccc(Cl)cc32)CC1 ZINC000390315798 713988803 /nfs/dbraw/zinc/98/88/03/713988803.db2.gz WPRCKEREFVNXGO-INIZCTEOSA-N 2 0 353.963 3.493 20 0 FGADRP Cc1nc([C@H](C)[NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)c(C)s1 ZINC000397563895 713991676 /nfs/dbraw/zinc/99/16/76/713991676.db2.gz ZXIFGXJZYBYTPR-HNNXBMFYSA-N 2 0 359.539 3.438 20 0 FGADRP [NH3+][C@@H]1CCC[C@@H](NC(=O)NC[C@H](c2cccc(Cl)c2)[NH+]2CCCC2)C1 ZINC000416989287 714008311 /nfs/dbraw/zinc/00/83/11/714008311.db2.gz DGVBLXKSPZHBLL-KZNAEPCWSA-N 2 0 364.921 3.046 20 0 FGADRP Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)CC[C@@H]1CCC[NH2+]C1 ZINC000621644758 715014060 /nfs/dbraw/zinc/01/40/60/715014060.db2.gz ZRXWLZJEWGNLCF-KRWDZBQOSA-N 2 0 361.555 3.262 20 0 FGADRP Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)c(-n2cc(Cl)cn2)n1 ZINC000643483699 718036307 /nfs/dbraw/zinc/03/63/07/718036307.db2.gz CNHJFNSFPWHVSU-KZNAEPCWSA-N 2 0 359.905 3.239 20 0 FGADRP Brc1ccc([C@H]([NH2+][C@@H]2CC23CC[NH2+]CC3)[C@H]2CCCO2)cc1 ZINC000643534840 718038011 /nfs/dbraw/zinc/03/80/11/718038011.db2.gz DNJDECXSLYKQOU-ZACQAIPSSA-N 2 0 365.315 3.401 20 0 FGADRP C[C@@H]1C[NH+](CCCC[NH2+]Cc2ccsc2Br)C[C@@H](C)O1 ZINC000623424954 715333993 /nfs/dbraw/zinc/33/39/93/715333993.db2.gz LZQGFEHMGVMMLF-CHWSQXEVSA-N 2 0 361.349 3.490 20 0 FGADRP C[NH+]1CCN(CCC[NH2+][C@H]2CCCC[C@@H]2Sc2ccc(F)cc2)CC1 ZINC000623854115 715415509 /nfs/dbraw/zinc/41/55/09/715415509.db2.gz SQSCYGBYALMKIN-PMACEKPBSA-N 2 0 365.562 3.456 20 0 FGADRP C[C@H](C[NH2+][C@H](C)c1ccc(F)cc1C(F)(F)F)CN1CC[NH+](C)CC1 ZINC000623886620 715424036 /nfs/dbraw/zinc/42/40/36/715424036.db2.gz HBPDZZYWMLRDMH-ZIAGYGMSSA-N 2 0 361.427 3.379 20 0 FGADRP Cc1ccc(Br)cc1[C@@H](C)[NH2+]C[C@@H](C)CN1CC[NH+](C)CC1 ZINC000623886916 715424236 /nfs/dbraw/zinc/42/42/36/715424236.db2.gz OCAUOJJCTZFGGH-GDBMZVCRSA-N 2 0 368.363 3.292 20 0 FGADRP Cc1nn(-c2cc(C)ccc2C)c(Cl)c1C[NH2+]CCOCC[NH+](C)C ZINC000779431719 724413267 /nfs/dbraw/zinc/41/32/67/724413267.db2.gz CQHDCJZBNWVULX-UHFFFAOYSA-N 2 0 364.921 3.119 20 0 FGADRP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)CCOC3CCOCC3)C2)s1 ZINC000625402104 715723083 /nfs/dbraw/zinc/72/30/83/715723083.db2.gz DSDPZKHGIPZSNC-KRWDZBQOSA-N 2 0 352.544 3.006 20 0 FGADRP COCCC[C@@H]([NH2+]CC1([NH3+])CCOCC1)c1ccc(Br)cc1 ZINC000629520714 716303012 /nfs/dbraw/zinc/30/30/12/716303012.db2.gz HLALQVOMAXHSAJ-MRXNPFEDSA-N 2 0 371.319 3.014 20 0 FGADRP C[NH2+]CCOCC[NH2+][C@H](C)c1cnn(-c2ccc(Cl)cc2Cl)c1C ZINC000629528785 716303609 /nfs/dbraw/zinc/30/36/09/716303609.db2.gz JCPFZRUPQFUJIA-GFCCVEGCSA-N 2 0 371.312 3.374 20 0 FGADRP C[NH2+]CCOCC[NH2+][C@@H]1CCCc2nc(-c3ccc(OC)cc3)sc21 ZINC000629528975 716303695 /nfs/dbraw/zinc/30/36/95/716303695.db2.gz OJBQTIMSECUDMY-MRXNPFEDSA-N 2 0 361.511 3.022 20 0 FGADRP C[NH2+]CCOCC[NH2+][C@H](c1ccccc1)c1ccc(Br)cc1 ZINC000629530401 716303861 /nfs/dbraw/zinc/30/38/61/716303861.db2.gz FXAIQRXEJHPNLZ-GOSISDBHSA-N 2 0 363.299 3.364 20 0 FGADRP COc1cc(C[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)ccc1SC ZINC000629590810 716314461 /nfs/dbraw/zinc/31/44/61/716314461.db2.gz PZOSRUKQJKMOBA-QGZVFWFLSA-N 2 0 350.528 3.008 20 0 FGADRP COc1ccc(C[C@H](C)C[N@@H+]2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)cc1F ZINC000629654862 716330312 /nfs/dbraw/zinc/33/03/12/716330312.db2.gz IXWDHXPKIZKCJO-NWANDNLSSA-N 2 0 362.411 3.472 20 0 FGADRP C[NH+](C)C[C@@H](NC(=O)C[N@H+](C)C1CCC1)c1ccc(Cl)c(Cl)c1 ZINC000630025088 716378598 /nfs/dbraw/zinc/37/85/98/716378598.db2.gz KDSMWEMSMYDDHP-MRXNPFEDSA-N 2 0 358.313 3.197 20 0 FGADRP CC[C@@H]1[C@@H](C(=O)Nc2cccc(C[NH+]3CCSCC3)c2C)CC[N@@H+]1C ZINC000630856960 716521050 /nfs/dbraw/zinc/52/10/50/716521050.db2.gz IYOCVHVRWUULPL-PKOBYXMFSA-N 2 0 361.555 3.213 20 0 FGADRP C[NH+]1CCC(N2CC[C@@H]([NH2+]Cc3ccccc3CC(F)(F)F)C2)CC1 ZINC000631070068 716558947 /nfs/dbraw/zinc/55/89/47/716558947.db2.gz LJZVJAMYVYGDCX-QGZVFWFLSA-N 2 0 355.448 3.050 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC2([C@H]3CCCCO3)CCC2)[C@H](C)C1 ZINC000631732079 716669895 /nfs/dbraw/zinc/66/98/95/716669895.db2.gz VNABYXDPGZFTEE-HSALFYBXSA-N 2 0 352.563 3.452 20 0 FGADRP CCC1([NH+](C)C)CCN(C(=O)NCCCC[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000632898107 716838429 /nfs/dbraw/zinc/83/84/29/716838429.db2.gz IFVIVCBFQYSYIN-GOSISDBHSA-N 2 0 352.567 3.014 20 0 FGADRP COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000634734099 717111642 /nfs/dbraw/zinc/11/16/42/717111642.db2.gz WPXVYHHWCHGAMC-ZFWWWQNUSA-N 2 0 367.921 3.434 20 0 FGADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(C[NH2+][C@H]2CCCS(=O)(=O)CC2)cc1 ZINC000634953183 717134981 /nfs/dbraw/zinc/13/49/81/717134981.db2.gz UINWAJFXKVKGKQ-PXNSSMCTSA-N 2 0 364.555 3.118 20 0 FGADRP COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+][C@H]1CC[C@H](C[NH3+])CC1 ZINC000635004790 717138978 /nfs/dbraw/zinc/13/89/78/717138978.db2.gz FTEGTPKDZKYCDX-YDHLFZDLSA-N 2 0 353.894 3.173 20 0 FGADRP CC[C@H](C)[C@H](C[N@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1)OC ZINC000638136917 717411631 /nfs/dbraw/zinc/41/16/31/717411631.db2.gz PBAIYZFBOKXXTQ-RXVVDRJESA-N 2 0 353.595 3.176 20 0 FGADRP COc1cc(C[NH2+]Cc2cccc(OCC[NH+](C)C)c2)c(Cl)cc1O ZINC000638381995 717442244 /nfs/dbraw/zinc/44/22/44/717442244.db2.gz PVMLQPVDAOVZOE-UHFFFAOYSA-N 2 0 364.873 3.284 20 0 FGADRP Cc1cc(C[NH3+])oc1C(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000638664842 717473846 /nfs/dbraw/zinc/47/38/46/717473846.db2.gz VYSXITZTJDMIMT-OAHLLOKOSA-N 2 0 370.280 3.386 20 0 FGADRP Cc1cc(C[NH3+])oc1C(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000638664841 717473939 /nfs/dbraw/zinc/47/39/39/717473939.db2.gz VYSXITZTJDMIMT-HNNXBMFYSA-N 2 0 370.280 3.386 20 0 FGADRP C[C@@H]([NH2+]Cc1ccc(OCC[NH+](C)C)cc1)[C@H]1OCCc2sccc21 ZINC000644446176 718112675 /nfs/dbraw/zinc/11/26/75/718112675.db2.gz KHMYRUQENAHKHP-FOIQADDNSA-N 2 0 360.523 3.481 20 0 FGADRP Clc1ccc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c(-n2cncn2)c1 ZINC000647543630 718366613 /nfs/dbraw/zinc/36/66/13/718366613.db2.gz QMVCOPMOEIDWRD-HOTGVXAUSA-N 2 0 359.905 3.132 20 0 FGADRP O=C(CC[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1)NCc1ccccc1Cl ZINC000647975616 718390884 /nfs/dbraw/zinc/39/08/84/718390884.db2.gz CRDKZPAQGMDIOB-AEFFLSMTSA-N 2 0 363.933 3.058 20 0 FGADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@H+](Cc3cc(F)ccc3Br)C2)C1 ZINC000650708244 718718045 /nfs/dbraw/zinc/71/80/45/718718045.db2.gz WETNRHRJHPKOIR-VMGRFDJRSA-N 2 0 371.294 3.307 20 0 FGADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@@H+]2Cc2cc(Br)cs2)C1 ZINC000650722092 718720194 /nfs/dbraw/zinc/72/01/94/718720194.db2.gz KPAGCEJWMYUJFD-BPLDGKMQSA-N 2 0 359.333 3.371 20 0 FGADRP Cn1c2ccc(Cl)cc2nc1C[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000650723448 718720506 /nfs/dbraw/zinc/72/05/06/718720506.db2.gz NTUWPZYEXQMGPI-OLMNPRSZSA-N 2 0 362.905 3.088 20 0 FGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@@H]2CCc3ccc(F)c(Cl)c32)CC1 ZINC000651705341 718853335 /nfs/dbraw/zinc/85/33/35/718853335.db2.gz PJVKVXWEUVXDBU-WMLDXEAASA-N 2 0 353.913 3.330 20 0 FGADRP CC[C@@H]([NH2+]C[C@@H](C)C[NH+]1CCCC1)c1cc(OC)c(OC)c(OC)c1 ZINC000652140966 718916553 /nfs/dbraw/zinc/91/65/53/718916553.db2.gz AUTOWJQMZFLBTD-NVXWUHKLSA-N 2 0 350.503 3.485 20 0 FGADRP Cc1nc(C(F)(F)F)c(C[N@@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)s1 ZINC000652349616 718935205 /nfs/dbraw/zinc/93/52/05/718935205.db2.gz VNRDPBZXCSDZMV-AVGNSLFASA-N 2 0 363.449 3.189 20 0 FGADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@H+](CCOc3ccc(Cl)c(F)c3)C2)C1 ZINC000652350379 718935411 /nfs/dbraw/zinc/93/54/11/718935411.db2.gz WHHYDQMLEGPQNF-LBTNJELSSA-N 2 0 356.869 3.076 20 0 FGADRP Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)[C@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000653114534 719013458 /nfs/dbraw/zinc/01/34/58/719013458.db2.gz LUQOHWODIDPBGN-RTBURBONSA-N 2 0 359.539 3.013 20 0 FGADRP O=C(Nc1ccc(SCC[NH+]2CCCC2)cc1)[C@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000653253186 719030600 /nfs/dbraw/zinc/03/06/00/719030600.db2.gz KGQKOTFAIXUMEB-RBUKOAKNSA-N 2 0 359.539 3.344 20 0 FGADRP CCOC(=O)C1CC[NH+](C2CCN(c3cc4[nH]ccc4c(C)[nH+]3)CC2)CC1 ZINC001164618593 719030754 /nfs/dbraw/zinc/03/07/54/719030754.db2.gz ZGHBHGOMDMULRB-UHFFFAOYSA-N 2 0 370.497 3.115 20 0 FGADRP Clc1ccc(C[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)c(-n2cncn2)c1 ZINC000656786448 719471291 /nfs/dbraw/zinc/47/12/91/719471291.db2.gz MPJVPJUFUDMLQH-MRXNPFEDSA-N 2 0 359.905 3.132 20 0 FGADRP C[C@@H]1C[N@@H+](CCCC[NH2+]Cc2cccc(F)c2OC(F)F)C[C@H](C)O1 ZINC000657366832 719634916 /nfs/dbraw/zinc/63/49/16/719634916.db2.gz KSBSNTHBQUSJBM-OKILXGFUSA-N 2 0 360.420 3.406 20 0 FGADRP CC[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+][C@@H](C)CN1CC[NH+](C)CC1 ZINC000657878870 719724794 /nfs/dbraw/zinc/72/47/94/719724794.db2.gz ITBQATFBSJUWFP-MAUKXSAKSA-N 2 0 357.464 3.252 20 0 FGADRP CC(C)(C)O[C@@H]1C[C@H]([NH2+]CC2CC[NH+](C3CCOCC3)CC2)C1(C)C ZINC000658071393 719751510 /nfs/dbraw/zinc/75/15/10/719751510.db2.gz WSOSXNQTPCSZJZ-RBUKOAKNSA-N 2 0 352.563 3.449 20 0 FGADRP CC(C)[C@H]([NH3+])CCNC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000659427152 719912902 /nfs/dbraw/zinc/91/29/02/719912902.db2.gz LHLOGFJYGZNAPX-QZTJIDSGSA-N 2 0 366.937 3.150 20 0 FGADRP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](CC[C@@H]2Sc3ccccc3NC2=O)C1 ZINC000659979903 719967279 /nfs/dbraw/zinc/96/72/79/719967279.db2.gz YUJONOCLRYQJQX-LPHOPBHVSA-N 2 0 359.539 3.153 20 0 FGADRP CC(C)C[NH2+]C1(CO)CC[NH+](CC2CCC(C(F)(F)F)CC2)CC1 ZINC000660699007 720103126 /nfs/dbraw/zinc/10/31/26/720103126.db2.gz UUWKRNQRPBTEOD-UHFFFAOYSA-N 2 0 350.469 3.428 20 0 FGADRP CCN(C[C@H]1CC[N@H+](Cc2cccc3c2CC[NH2+]C3)C1)CC(F)(F)F ZINC000662263840 720406685 /nfs/dbraw/zinc/40/66/85/720406685.db2.gz OYKXZBANEQQJKD-OAHLLOKOSA-N 2 0 355.448 3.038 20 0 FGADRP Cc1cc([C@@H]2CCC[N@@H+]2C[C@@H]2CCC3(C[NH2+]C3)O2)ccc1Br ZINC000662281605 720409407 /nfs/dbraw/zinc/40/94/07/720409407.db2.gz YOSNHMFEGNROKB-RDJZCZTQSA-N 2 0 365.315 3.415 20 0 FGADRP COc1cccc(SCC[N@@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)c1 ZINC000662285249 720410080 /nfs/dbraw/zinc/41/00/80/720410080.db2.gz IBRXUXQAGAPKJI-TXPKVOOTSA-N 2 0 350.528 3.006 20 0 FGADRP C[C@@H](NC(=O)C[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1)c1ccc(Cl)cc1 ZINC000662294210 720411103 /nfs/dbraw/zinc/41/11/03/720411103.db2.gz CBBSOAQLHJLIQN-CRAIPNDOSA-N 2 0 363.933 3.229 20 0 FGADRP C[C@@H](C(=O)Nc1ccc(F)c(F)c1)[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662297461 720412001 /nfs/dbraw/zinc/41/20/01/720412001.db2.gz QFKNKRQGGGOXDX-DZGCQCFKSA-N 2 0 351.441 3.003 20 0 FGADRP CC[N@H+](C[C@H]1CCC2(C[NH2+]C2)O1)[C@@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC000662320867 720414975 /nfs/dbraw/zinc/41/49/75/720414975.db2.gz XFSJWFZYGXFMHF-WMLDXEAASA-N 2 0 356.432 3.479 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)c2cc3c(s2)CC[NH2+]C3)C1 ZINC000662459540 720430922 /nfs/dbraw/zinc/43/09/22/720430922.db2.gz IYUGTOIUWBDYBU-HZPDHXFCSA-N 2 0 361.555 3.120 20 0 FGADRP CC(C)C[C@H](C[NH3+])CC(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000662474428 720432233 /nfs/dbraw/zinc/43/22/33/720432233.db2.gz WYYBFIOABVTVJM-BXWFABGCSA-N 2 0 351.560 3.258 20 0 FGADRP Cc1cc(C)[nH+]c(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)c1 ZINC001164841203 720508950 /nfs/dbraw/zinc/50/89/50/720508950.db2.gz XYCOINLIELVVEQ-HSALFYBXSA-N 2 0 353.514 3.273 20 0 FGADRP COc1cc(C[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)ccc1OCC(F)(F)F ZINC000666995448 721010666 /nfs/dbraw/zinc/01/06/66/721010666.db2.gz NZGWLODGLJXBLW-AWEZNQCLSA-N 2 0 358.404 3.401 20 0 FGADRP C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+][C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000666995501 721010869 /nfs/dbraw/zinc/01/08/69/721010869.db2.gz PIHRXCLRPWKALL-NVXWUHKLSA-N 2 0 363.933 3.341 20 0 FGADRP C[C@@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+][C@H]1CC[NH2+]C2(CCC2)C1 ZINC000666995207 721010937 /nfs/dbraw/zinc/01/09/37/721010937.db2.gz GHLWTRBSVNCJKX-YJBOKZPZSA-N 2 0 363.933 3.341 20 0 FGADRP [NH3+][C@@H]1CCC[C@@H](NC(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)C1 ZINC000668678490 721329031 /nfs/dbraw/zinc/32/90/31/721329031.db2.gz YNKPELRZOVPIPK-IIDMSEBBSA-N 2 0 364.921 3.046 20 0 FGADRP C[C@@H]([NH2+][C@@H](C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccsc1 ZINC000669937691 721503888 /nfs/dbraw/zinc/50/38/88/721503888.db2.gz OZWNBNXBILAZPZ-GJYPPUQNSA-N 2 0 357.523 3.178 20 0 FGADRP Cc1c[nH+]c(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)cc1N ZINC001164908946 721721612 /nfs/dbraw/zinc/72/16/12/721721612.db2.gz ZUNIWZQXVXVYKD-LJQANCHMSA-N 2 0 373.451 3.105 20 0 FGADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000675175625 721735478 /nfs/dbraw/zinc/73/54/78/721735478.db2.gz HCSMUKLGBHXCAC-IRXDYDNUSA-N 2 0 364.559 3.059 20 0 FGADRP C[C@@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1sccc1Br ZINC000675876417 721777228 /nfs/dbraw/zinc/77/72/28/721777228.db2.gz WRDXJSAQYHBQAR-CHWSQXEVSA-N 2 0 372.376 3.330 20 0 FGADRP C[NH+]1CCC(N2CC[C@@H]([NH2+]Cc3ccc(F)c(Cl)c3Cl)C2)CC1 ZINC000683340706 722291056 /nfs/dbraw/zinc/29/10/56/722291056.db2.gz FULRNMPLDRDXES-CYBMUJFWSA-N 2 0 360.304 3.391 20 0 FGADRP C[C@@H]([NH2+][C@H]1CCN(c2cccc(Br)c2)C1)C1CC[NH+](C)CC1 ZINC000683820875 722310597 /nfs/dbraw/zinc/31/05/97/722310597.db2.gz DDSNARDKFGRDKJ-PBHICJAKSA-N 2 0 366.347 3.348 20 0 FGADRP C[C@H]([NH2+]CC[C@@H]1CCCC[N@@H+]1C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000754315217 722934486 /nfs/dbraw/zinc/93/44/86/722934486.db2.gz ODJAUIRIWVWGHV-KSZLIROESA-N 2 0 353.551 3.486 20 0 FGADRP CC(C)(C)OC(=O)NC(C)(C)C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000761201461 723132737 /nfs/dbraw/zinc/13/27/37/723132737.db2.gz AIFPRBPLHLKPMT-RDJZCZTQSA-N 2 0 351.535 3.238 20 0 FGADRP O=S(=O)(CC[NH+](C1CCC1)C1CCC1)CC[NH+](C1CCC1)C1CCC1 ZINC000795470455 723593653 /nfs/dbraw/zinc/59/36/53/723593653.db2.gz HZLKNASSRITDQD-UHFFFAOYSA-N 2 0 368.587 3.215 20 0 FGADRP C[N@@H+]1CC[C@H]([NH2+]CCCN(C(=O)OC(C)(C)C)C2CC2)[C@@H]2CCC[C@@H]21 ZINC000796748406 723653328 /nfs/dbraw/zinc/65/33/28/723653328.db2.gz LCWZVORPUABLAU-BZSNNMDCSA-N 2 0 351.535 3.238 20 0 FGADRP CC(C)N(CCC[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21)C(=O)OC(C)(C)C ZINC000796766820 723654048 /nfs/dbraw/zinc/65/40/48/723654048.db2.gz YDOCGLQYFKOSSX-KURKYZTESA-N 2 0 353.551 3.484 20 0 FGADRP Cc1cc(Br)cc(C[NH2+][C@H]2CCN(C3CC[NH+](C)CC3)C2)c1 ZINC000774991691 723948980 /nfs/dbraw/zinc/94/89/80/723948980.db2.gz IZJKSTBTWAYTLB-KRWDZBQOSA-N 2 0 366.347 3.016 20 0 FGADRP O[C@H](C[NH2+][C@@H](c1ccc(Br)cc1)C1CCC1)C[NH+]1CCCC1 ZINC000775204511 723970867 /nfs/dbraw/zinc/97/08/67/723970867.db2.gz SSXFHRCOBJQFLL-QZTJIDSGSA-N 2 0 367.331 3.337 20 0 FGADRP C[C@@H](CC[NH2+]C1CC2(C1)CN(C(=O)OC(C)(C)C)C2)[NH+]1CCCCC1 ZINC000788740756 725084785 /nfs/dbraw/zinc/08/47/85/725084785.db2.gz QRCOLXVVAYWHLX-INIZCTEOSA-N 2 0 351.535 3.240 20 0 FGADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000805794394 725096342 /nfs/dbraw/zinc/09/63/42/725096342.db2.gz UEWSDMPFEOMXLH-PXNSSMCTSA-N 2 0 351.535 3.194 20 0 FGADRP CN(CCC[N@H+](C)Cc1ccc(Cl)nc1C(F)(F)F)CC[NH+](C)C ZINC000808781643 725217249 /nfs/dbraw/zinc/21/72/49/725217249.db2.gz LACHTAIWNCFGQC-UHFFFAOYSA-N 2 0 366.859 3.069 20 0 FGADRP c1nc(C2OCCO2)sc1C[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000809587445 725250393 /nfs/dbraw/zinc/25/03/93/725250393.db2.gz PHRAZAOEENOYIW-UHFFFAOYSA-N 2 0 365.543 3.277 20 0 FGADRP C[N@@H+]1CCC[C@@H]2C[NH+](CCN(C(=O)OC(C)(C)C)C(C)(C)C)CC[C@@H]21 ZINC000809596212 725250802 /nfs/dbraw/zinc/25/08/02/725250802.db2.gz WSXIBBCLJFWUSF-SJORKVTESA-N 2 0 353.551 3.438 20 0 FGADRP CC(C)CC[NH+]1CCC(C[NH2+]Cc2ncc(C3OCCO3)s2)CC1 ZINC000809625746 725253355 /nfs/dbraw/zinc/25/33/55/725253355.db2.gz QMGFFSHQSMADLB-UHFFFAOYSA-N 2 0 353.532 3.036 20 0 FGADRP CC1(C)[C@H](O)CC[NH+]1CCCCCCCCC[N@H+]1CC[C@@H](O)C1(C)C ZINC000812868724 726819692 /nfs/dbraw/zinc/81/96/92/726819692.db2.gz MIAJAQGZFPVFSO-RTBURBONSA-N 2 0 354.579 3.408 20 0 FGADRP C[C@@H]([NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1)c1ccnc(Cl)c1 ZINC000817984213 727290442 /nfs/dbraw/zinc/29/04/42/727290442.db2.gz OQLIPHKZJSHFDB-MRXNPFEDSA-N 2 0 358.917 3.379 20 0 FGADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+]C[C@@H](O)c2ccccc2Br)C1 ZINC000818984268 727334289 /nfs/dbraw/zinc/33/42/89/727334289.db2.gz CLMBMUQCPQQITE-RHSMWYFYSA-N 2 0 355.320 3.193 20 0 FGADRP CC[NH+]1CCC(CC[NH2+]C[C@@H](O)c2ccccc2Br)CC1 ZINC000819107390 727348292 /nfs/dbraw/zinc/34/82/92/727348292.db2.gz XYWUAJAFDYEUGG-QGZVFWFLSA-N 2 0 355.320 3.194 20 0 FGADRP O[C@@H](C[NH2+]CC1CCN(c2cc[nH+]cc2)CC1)c1ccc(F)cc1Cl ZINC000819205179 727358197 /nfs/dbraw/zinc/35/81/97/727358197.db2.gz FUHLFTYCHQBTPW-IBGZPJMESA-N 2 0 363.864 3.414 20 0 FGADRP C[C@H](CC[NH2+]C[C@@H](O)c1ccccc1Br)[NH+]1CCCCC1 ZINC000819231450 727360287 /nfs/dbraw/zinc/36/02/87/727360287.db2.gz WRAVUATYIJRLIE-RHSMWYFYSA-N 2 0 355.320 3.337 20 0 FGADRP C[C@@H](CC[NH2+]C[C@H](O)c1ccc(OC(F)(F)F)cc1)[NH+]1CCCCC1 ZINC000819231498 727360295 /nfs/dbraw/zinc/36/02/95/727360295.db2.gz XIZCQFKAJWECME-YOEHRIQHSA-N 2 0 360.420 3.473 20 0 FGADRP O[C@H](C[NH2+]CCCCC[NH+]1CCCC1)c1ccc(F)c(Br)c1 ZINC000819332999 727368068 /nfs/dbraw/zinc/36/80/68/727368068.db2.gz DQFCCUXVKUFSRV-QGZVFWFLSA-N 2 0 373.310 3.477 20 0 FGADRP C[N@@H+]1CCC[C@H](CC[NH2+]C[C@@](C)(O)c2ccc(Br)cc2F)C1 ZINC000819366069 727371303 /nfs/dbraw/zinc/37/13/03/727371303.db2.gz ICHAOCVJNGPZNZ-CXAGYDPISA-N 2 0 373.310 3.117 20 0 FGADRP CC(C)C[NH+]1CCC([NH2+][C@H](C)[C@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC000820806657 729033399 /nfs/dbraw/zinc/03/33/99/729033399.db2.gz NLSKVHACWVZXMX-SJLPKXTDSA-N 2 0 353.551 3.484 20 0 FGADRP CC(C)[NH+]1CCC([N@H+](C)C[C@@]23C[C@@H]2CN(C(=O)OC(C)(C)C)C3)CC1 ZINC000823395536 729275589 /nfs/dbraw/zinc/27/55/89/729275589.db2.gz WZMJRIHOUVUGHK-OXQOHEQNSA-N 2 0 351.535 3.048 20 0 FGADRP C[C@@H]1C[C@@H](C[NH+]2CCC(C[NH+](C)C)CC2)CCN1C(=O)OC(C)(C)C ZINC000823399827 729276273 /nfs/dbraw/zinc/27/62/73/729276273.db2.gz SUTAYJVTIAWBIW-AEFFLSMTSA-N 2 0 353.551 3.296 20 0 FGADRP C[NH+](C)[C@H](CNC(=O)[C@H]([NH3+])c1cccc(C(F)(F)F)c1)c1cccs1 ZINC000876711012 736135232 /nfs/dbraw/zinc/13/52/32/736135232.db2.gz RQKZGOHTUKKEPF-UKRRQHHQSA-N 2 0 371.428 3.186 20 0 FGADRP CC[N@H+](CCC[NH+]1CCCC1)C[C@@]12C[C@@H]1CN(C(=O)OC(C)(C)C)C2 ZINC000824389761 729335451 /nfs/dbraw/zinc/33/54/51/729335451.db2.gz SIFUMXWWOYJKMS-YLJYHZDGSA-N 2 0 351.535 3.051 20 0 FGADRP Cc1cc([C@@H]([NH3+])CC(=O)NCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)cc(Cl)n1 ZINC000827574112 729431923 /nfs/dbraw/zinc/43/19/23/729431923.db2.gz YAZLRDCONWFZEG-CJNGLKHVSA-N 2 0 366.937 3.060 20 0 FGADRP [NH3+]CCCCCC(=O)NC[C@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1 ZINC000829148873 729461638 /nfs/dbraw/zinc/46/16/38/729461638.db2.gz ZIAGKEFCGYZWFW-GOSISDBHSA-N 2 0 351.922 3.330 20 0 FGADRP CC[C@@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000834508746 729808589 /nfs/dbraw/zinc/80/85/89/729808589.db2.gz QGJVHUTVIFZPAZ-CGTJXYLNSA-N 2 0 351.535 3.238 20 0 FGADRP C[NH+](C)CCCCCCCNC(=O)N1CCCC[C@H]1[C@@H]1CCC[NH2+]C1 ZINC000841741320 730269500 /nfs/dbraw/zinc/26/95/00/730269500.db2.gz NMQRSBVDXWLNRR-MOPGFXCFSA-N 2 0 352.567 3.062 20 0 FGADRP COc1ccc(C[N@H+](C)C2CCC([NH3+])CC2)c(Br)c1OC ZINC000843354692 730609939 /nfs/dbraw/zinc/60/99/39/730609939.db2.gz CNPSRWKDDVVYTO-UHFFFAOYSA-N 2 0 357.292 3.168 20 0 FGADRP CCCCn1nc(C)c(C[N@@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)c1Cl ZINC000844901392 730787169 /nfs/dbraw/zinc/78/71/69/730787169.db2.gz DVTQDVFZYNJQAA-BQFCYCMXSA-N 2 0 368.953 3.363 20 0 FGADRP C[C@H](NC(=[NH2+])NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccc(Cl)cc1Cl ZINC000849074205 731225935 /nfs/dbraw/zinc/22/59/35/731225935.db2.gz GIPOAACIHYYRKW-YUTCNCBUSA-N 2 0 371.312 3.032 20 0 FGADRP CSC1(CNC(=[NH2+])NCc2cccc(C(F)(F)F)c2)CC[NH+](C)CC1 ZINC000849084962 731227528 /nfs/dbraw/zinc/22/75/28/731227528.db2.gz FRBRDLVEKDTGES-UHFFFAOYSA-N 2 0 374.476 3.147 20 0 FGADRP COC1CC[NH+](CCNC(=[NH2+])N[C@H](C)c2ccc(Cl)cc2Cl)CC1 ZINC000849103349 731229583 /nfs/dbraw/zinc/22/95/83/731229583.db2.gz OUAQQOMAESJUID-GFCCVEGCSA-N 2 0 373.328 3.279 20 0 FGADRP CC(C)(C)OC(=O)N1CCC([NH2+]CC2CC[NH+](CC3CC3)CC2)CC1 ZINC000850421620 731355551 /nfs/dbraw/zinc/35/55/51/731355551.db2.gz ZKLAXBYDOIPYCC-UHFFFAOYSA-N 2 0 351.535 3.098 20 0 FGADRP CCOC(=O)NC1CCC([NH2+][C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)CC1 ZINC000850456629 731358818 /nfs/dbraw/zinc/35/88/18/731358818.db2.gz ASXFINDMZTWGOE-VYMRPNJYSA-N 2 0 351.535 3.286 20 0 FGADRP O[C@H](C[NH2+]CC1CC[NH+](CC2CC2)CC1)c1cccc(C(F)(F)F)c1 ZINC000853135034 731669721 /nfs/dbraw/zinc/66/97/21/731669721.db2.gz OYMDMYRGPWFRMW-GOSISDBHSA-N 2 0 356.432 3.450 20 0 FGADRP CC[N@H+](C)Cc1cc(O[C@H]2CC[NH+](C[C@H]3CC3(Cl)Cl)C2)ccn1 ZINC000856596162 732039944 /nfs/dbraw/zinc/03/99/44/732039944.db2.gz SFCWZSOCHOMEGQ-CJNGLKHVSA-N 2 0 358.313 3.180 20 0 FGADRP CC[NH+]1CCC(C[NH2+]C[C@H](CC(F)(F)F)NC(=O)OC(C)(C)C)CC1 ZINC000865451450 733203591 /nfs/dbraw/zinc/20/35/91/733203591.db2.gz OLYFJTFFSVZEKS-AWEZNQCLSA-N 2 0 367.456 3.154 20 0 FGADRP NC(=O)c1csc(C[NH2+]CCC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000865717852 733258615 /nfs/dbraw/zinc/25/86/15/733258615.db2.gz MYGHKOHQAMLZFQ-UHFFFAOYSA-N 2 0 357.523 3.239 20 0 FGADRP CCOc1c(OC)cc(C[NH2+]C2CCC(C)([NH+](C)C)CC2)cc1OC ZINC000865765937 733265973 /nfs/dbraw/zinc/26/59/73/733265973.db2.gz SUFZZGMLXYSBFQ-UHFFFAOYSA-N 2 0 350.503 3.455 20 0 FGADRP CCCc1cc(C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)ccc1Cl ZINC000870019439 733802182 /nfs/dbraw/zinc/80/21/82/733802182.db2.gz FWDGKBXGZUSOIL-QZTJIDSGSA-N 2 0 365.949 3.104 20 0 FGADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H](c2cccc(Br)c2)[C@H]2CCOC2)C1 ZINC000872025762 735577770 /nfs/dbraw/zinc/57/77/70/735577770.db2.gz SPABTKCTRWWJGC-UWWQBHOKSA-N 2 0 367.331 3.458 20 0 FGADRP Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000872279860 735612730 /nfs/dbraw/zinc/61/27/30/735612730.db2.gz JONLZVZUVUOELH-MSOLQXFVSA-N 2 0 361.555 3.390 20 0 FGADRP COc1cc(F)c([C@@H](C)[NH2+]Cc2cc3c(s2)CC[NH2+]C3)cc1OC ZINC000873213371 735739209 /nfs/dbraw/zinc/73/92/09/735739209.db2.gz WTOLDKLNEJGKMS-LLVKDONJSA-N 2 0 350.459 3.401 20 0 FGADRP CN(C)Cc1cnc(C[N@@H+]2CCC[C@@H](C[C@@H]([NH3+])C3CCCC3)C2)s1 ZINC000873231768 735740735 /nfs/dbraw/zinc/74/07/35/735740735.db2.gz DCCZCTPOWPYDBM-MAUKXSAKSA-N 2 0 350.576 3.324 20 0 FGADRP C[C@@H]([NH2+]Cc1cccc(-n2cc(C[NH3+])nn2)c1)c1cc2c(s1)CCC2 ZINC000873244003 735743316 /nfs/dbraw/zinc/74/33/16/735743316.db2.gz OTATXTPQJGDQJP-CYBMUJFWSA-N 2 0 353.495 3.127 20 0 FGADRP CC[NH+](CC)CC1CCN(C(=O)NC2CCC(C)([NH+](C)C)CC2)CC1 ZINC000876112434 736060376 /nfs/dbraw/zinc/06/03/76/736060376.db2.gz WELPVSAOTYUURR-UHFFFAOYSA-N 2 0 352.567 3.013 20 0 FGADRP C[C@@H]([NH3+])c1ccc(CNC(=O)[C@@H]([NH3+])c2cccc(C(F)(F)F)c2)cc1 ZINC000876539261 736111265 /nfs/dbraw/zinc/11/12/65/736111265.db2.gz AUCGNJVKBOIHDR-BZNIZROVSA-N 2 0 351.372 3.041 20 0 FGADRP CC[NH+](CC)CCC[C@H](C)NC(=O)[C@H]([NH3+])c1cccc(C(F)(F)F)c1 ZINC000876708040 736135050 /nfs/dbraw/zinc/13/50/50/736135050.db2.gz FWIKEYXRZDGPMO-XJKSGUPXSA-N 2 0 359.436 3.332 20 0 FGADRP Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)/C=C/[C@@H]1CCC[NH2+]C1 ZINC000876743792 736139247 /nfs/dbraw/zinc/13/92/47/736139247.db2.gz MEFPAUIDMIKMIA-LXXRFIIISA-N 2 0 359.539 3.038 20 0 FGADRP CC(C)[C@H]([NH2+]C1CC[NH+](CC(C)(C)O)CC1)[C@@H](O)c1ccc(Cl)cc1 ZINC000877639904 736697872 /nfs/dbraw/zinc/69/78/72/736697872.db2.gz RPHNASMNJRZHCE-OALUTQOASA-N 2 0 368.949 3.223 20 0 FGADRP C[NH+](C)C[C@@H]1CN(Cc2cc(C(F)(F)F)ccc2F)C[C@H]1C[NH+](C)C ZINC000877669385 736701838 /nfs/dbraw/zinc/70/18/38/736701838.db2.gz HAMITPDHYGLAER-HUUCEWRRSA-N 2 0 361.427 3.016 20 0 FGADRP CC(C)(C)OC(=O)N1CC(CC[NH+]2CCC(C)([NH+]3CCCC3)CC2)C1 ZINC000877674238 736703037 /nfs/dbraw/zinc/70/30/37/736703037.db2.gz OMNHIYZWJAJCRE-UHFFFAOYSA-N 2 0 351.535 3.194 20 0 FGADRP C[N@@H+]1CC[C@@H]2C[NH+](C[C@@H]3CCCCN(C(=O)OC(C)(C)C)C3)CC[C@@H]21 ZINC000877740285 736712497 /nfs/dbraw/zinc/71/24/97/736712497.db2.gz JXAQZTAHEVKAHM-KSZLIROESA-N 2 0 351.535 3.050 20 0 FGADRP C[NH+]1CCC2(CC[N@H+](CC(=O)Nc3ccc(SC(F)F)cc3)C2)CC1 ZINC000878864736 736927007 /nfs/dbraw/zinc/92/70/07/736927007.db2.gz NGCZLHJEYANULV-UHFFFAOYSA-N 2 0 369.481 3.358 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CNC(=S)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000884236255 737646238 /nfs/dbraw/zinc/64/62/38/737646238.db2.gz PRNDTCRMHMMGMK-GOSISDBHSA-N 2 0 366.619 3.124 20 0 FGADRP C[C@@H]1OC[C@]2(CC[C@H](C[NH2+]C3CC[NH+](C4CCCCC4)CC3)O2)[C@H]1C ZINC000886336101 739246061 /nfs/dbraw/zinc/24/60/61/739246061.db2.gz MNRMMPRETNTODT-ZCLUNYJNSA-N 2 0 350.547 3.346 20 0 FGADRP CN(CCCCCC[NH3+])C(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000891597154 739919299 /nfs/dbraw/zinc/91/92/99/739919299.db2.gz LBLIWNYUTQRJRG-AEFFLSMTSA-N 2 0 366.575 3.292 20 0 FGADRP COCCCC1(C[NH+]2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)CCC1 ZINC000891845023 739942765 /nfs/dbraw/zinc/94/27/65/739942765.db2.gz LBVCZEVWYNQOTO-WOJBJXKFSA-N 2 0 351.579 3.074 20 0 FGADRP COc1cccc(-c2csc(C[NH2+]CCCC[NH+]3CCOCC3)n2)c1 ZINC000892594135 740020987 /nfs/dbraw/zinc/02/09/87/740020987.db2.gz HVLPQOWRXRAIOQ-UHFFFAOYSA-N 2 0 361.511 3.021 20 0 FGADRP CCC[NH+]1CCC([NH2+][C@@H]2CC[C@H](C(=O)OCC)[C@@H](C(F)(F)F)C2)CC1 ZINC000893324050 742140746 /nfs/dbraw/zinc/14/07/46/742140746.db2.gz NLMJPIIMRWJMBH-PMPSAXMXSA-N 2 0 364.452 3.361 20 0 FGADRP CC(C)[N@H+](C)Cc1ccccc1C[NH2+][C@@H]1CCC2(C[C@H]1F)OCCO2 ZINC000893328289 742140817 /nfs/dbraw/zinc/14/08/17/742140817.db2.gz WPJQOLHVXQOXLA-RTBURBONSA-N 2 0 350.478 3.250 20 0 FGADRP CN(CC(C)(C)C[NH+](C)C)C(=O)NC1CCC([NH+]2CCCCC2)CC1 ZINC000893493578 742162121 /nfs/dbraw/zinc/16/21/21/742162121.db2.gz ZXUHTPDHLHYQIY-UHFFFAOYSA-N 2 0 352.567 3.013 20 0 FGADRP CC(C)[NH+]1CCC(CC[NH2+]C[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC000895763877 742451985 /nfs/dbraw/zinc/45/19/85/742451985.db2.gz DPKVFENWIKAAAB-HDICACEKSA-N 2 0 353.551 3.390 20 0 FGADRP CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1[C@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)C2 ZINC000898074362 742742109 /nfs/dbraw/zinc/74/21/09/742742109.db2.gz RAFOQNHGKHDUMW-ZACQAIPSSA-N 2 0 351.535 3.379 20 0 FGADRP CC(C)(C)OC(=O)NC(C)(C)CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903217750 743824432 /nfs/dbraw/zinc/82/44/32/743824432.db2.gz ZGKHBTITEJVPAC-ZXFUBFMLSA-N 2 0 351.535 3.427 20 0 FGADRP C[N@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(C[C@H]2CCC[NH2+]2)CC1 ZINC000903454782 743852848 /nfs/dbraw/zinc/85/28/48/743852848.db2.gz JRODFQFRIKIHBK-QGZVFWFLSA-N 2 0 355.448 3.354 20 0 FGADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@@H+]2C[C@@H]2[C@@H](c3ccccc3)C2(F)F)C1 ZINC000903460834 743853309 /nfs/dbraw/zinc/85/33/09/743853309.db2.gz JOXUAFRSLZWDQU-UJWQCDCRSA-N 2 0 350.453 3.396 20 0 FGADRP COc1ccc(OCc2nc(C[N@@H+]3C[C@@H](C)[C@H](CC[NH3+])C3)cs2)cc1 ZINC000903497035 743856477 /nfs/dbraw/zinc/85/64/77/743856477.db2.gz NTUOZWMXIGMZQE-HUUCEWRRSA-N 2 0 361.511 3.147 20 0 FGADRP Cc1c(C[C@@H](C[NH3+])C[NH2+]CC2(c3ccc(Cl)cc3)CCC2)cnn1C ZINC000903923562 743897893 /nfs/dbraw/zinc/89/78/93/743897893.db2.gz XEYIYKWHKVTNBY-INIZCTEOSA-N 2 0 360.933 3.211 20 0 FGADRP CC(C)c1ccccc1NC(=O)C[C@H](C)[NH2+]C[C@H]1C[NH2+]CCC1(F)F ZINC000903955943 743904710 /nfs/dbraw/zinc/90/47/10/743904710.db2.gz CHXOTINUBJMXMY-LSDHHAIUSA-N 2 0 353.457 3.362 20 0 FGADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+]C1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000903974771 743907185 /nfs/dbraw/zinc/90/71/85/743907185.db2.gz RYJGOJAVIPCXAL-HUUCEWRRSA-N 2 0 353.913 3.279 20 0 FGADRP CN(C(=O)C(C)(C)[NH+]1CCCCC1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000909437959 744364254 /nfs/dbraw/zinc/36/42/54/744364254.db2.gz GTIQYJPLZDOQJR-UHFFFAOYSA-N 2 0 363.468 3.126 20 0 FGADRP CC[C@@H]1[C@@H](C(=O)N2CCC3(CC2)CC[NH+](C/C=C\Cl)CC3)CC[N@@H+]1C ZINC000957552399 762641069 /nfs/dbraw/zinc/64/10/69/762641069.db2.gz NFLAZEVMFSYZSK-XZWWOTKMSA-N 2 0 367.965 3.174 20 0 FGADRP CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1csc(C(F)(F)F)c1)C2 ZINC000922387778 758910613 /nfs/dbraw/zinc/91/06/13/758910613.db2.gz AZHWGYVNEZNSNR-LUYZLQTOSA-N 2 0 362.461 3.336 20 0 FGADRP CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]Cc3ccc(F)c(F)c3F)C2)[C@H]1C(C)C ZINC000922391871 758912860 /nfs/dbraw/zinc/91/28/60/758912860.db2.gz BOMASFBTLDUQTG-OHDICMOHSA-N 2 0 356.432 3.063 20 0 FGADRP O[C@H](C[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1)c1ccc(Cl)cc1Cl ZINC000923408225 759112810 /nfs/dbraw/zinc/11/28/10/759112810.db2.gz BLWHRXYEPGTAEE-MAUKXSAKSA-N 2 0 373.324 3.117 20 0 FGADRP C[C@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000923488975 759130724 /nfs/dbraw/zinc/13/07/24/759130724.db2.gz VNEXPWAABHETDC-GHMZBOCLSA-N 2 0 363.811 3.357 20 0 FGADRP C([C@H]1CCC2(CCOCC2)CO1)[NH+]1CCC([C@@H]2CCC[NH2+]CC2)CC1 ZINC000923506159 759135353 /nfs/dbraw/zinc/13/53/53/759135353.db2.gz IIQWJOSUYWITQK-UYAOXDASSA-N 2 0 350.547 3.064 20 0 FGADRP C[NH+]1CCN(CCC[NH2+][C@H](Cc2ccccc2Cl)c2ccco2)CC1 ZINC000924579749 759356866 /nfs/dbraw/zinc/35/68/66/759356866.db2.gz ZDIGIXHESZUEQF-LJQANCHMSA-N 2 0 361.917 3.444 20 0 FGADRP CC[NH+]1CCN(CCCC[NH2+][C@@H]2CCCc3c(Cl)ccnc32)CC1 ZINC000924663197 759369714 /nfs/dbraw/zinc/36/97/14/759369714.db2.gz ZMPWUXVGSUBNPS-GOSISDBHSA-N 2 0 350.938 3.120 20 0 FGADRP C[C@@H](C[NH2+]C(CCC(F)(F)F)CCC(F)(F)F)N1CC[NH+](C)CC1 ZINC000924966756 759424509 /nfs/dbraw/zinc/42/45/09/759424509.db2.gz UVFGZEWZAZQISA-LBPRGKRZSA-N 2 0 363.390 3.266 20 0 FGADRP CC(C)CC[NH+]1CCC([NH2+]CCNC(=O)c2ccccc2Cl)CC1 ZINC000925060342 759440730 /nfs/dbraw/zinc/44/07/30/759440730.db2.gz JEWJYJOYXCZALX-UHFFFAOYSA-N 2 0 351.922 3.170 20 0 FGADRP C[C@@H]1[C@H]2CC[C@@H](C[C@H]1[NH2+][C@H]1CCN(c3ccccc3Br)C1)[NH2+]2 ZINC000925479968 759495395 /nfs/dbraw/zinc/49/53/95/759495395.db2.gz TVIOIFOAVAGBEW-NJNCZSALSA-N 2 0 364.331 3.146 20 0 FGADRP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@H]2CCN(c3cccc(Br)c3)C2)C12CCC2 ZINC000925561787 759504723 /nfs/dbraw/zinc/50/47/23/759504723.db2.gz FHCPVQWDFZEWGG-KBRIMQKVSA-N 2 0 364.331 3.135 20 0 FGADRP C[C@@H]1[C@H]2CC[C@@H](C[C@H]1[NH2+][C@H]1CCN(c3cccc(Br)c3)C1)[NH2+]2 ZINC000925657371 759519822 /nfs/dbraw/zinc/51/98/22/759519822.db2.gz OBTKWTHJEVJQMM-QLKQHDGRSA-N 2 0 364.331 3.146 20 0 FGADRP [NH3+]CCC[C@H]([NH2+]Cc1ccnc(N2CCSCC2)c1)c1ccccc1 ZINC000925722907 759526041 /nfs/dbraw/zinc/52/60/41/759526041.db2.gz PIPUWIFWVZVGOG-IBGZPJMESA-N 2 0 356.539 3.205 20 0 FGADRP C[C@H](C[NH2+][C@@H](CCC[NH3+])c1ccccc1)c1ccc(S(C)(=O)=O)cc1 ZINC000925731618 759526903 /nfs/dbraw/zinc/52/69/03/759526903.db2.gz CDDJMICBLLSCTJ-UZLBHIALSA-N 2 0 360.523 3.263 20 0 FGADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]Cc1cc2cc(Br)ccc2o1 ZINC000925758129 759533279 /nfs/dbraw/zinc/53/32/79/759533279.db2.gz BKWJPYVLPRIMPG-LKTVYLICSA-N 2 0 353.260 3.037 20 0 FGADRP Brc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CC[C@H]3C[NH2+]C[C@@H]3C1)CCO2 ZINC000925824991 759552623 /nfs/dbraw/zinc/55/26/23/759552623.db2.gz FOGYCMIHLNTJLI-GMZLATJGSA-N 2 0 351.288 3.250 20 0 FGADRP Cc1cc2c(cc1C)[C@@H]([NH2+]C[C@@H]1CC3(CC[NH2+]CC3)C(=O)O1)CCS2 ZINC000925848692 759557305 /nfs/dbraw/zinc/55/73/05/759557305.db2.gz CZFJCBOSCDWEKS-RDJZCZTQSA-N 2 0 360.523 3.115 20 0 FGADRP C[C@@H]([NH2+]CCn1cc(Br)cn1)c1cccc(C[NH+](C)C)c1 ZINC000926413534 759742004 /nfs/dbraw/zinc/74/20/04/759742004.db2.gz GZNZWDYZFFJMLJ-CYBMUJFWSA-N 2 0 351.292 3.058 20 0 FGADRP CC(C)(C)OC(=O)NCC1CC([NH2+]C2CCC(C)([NH+]3CCC3)CC2)C1 ZINC000927038248 759880460 /nfs/dbraw/zinc/88/04/60/759880460.db2.gz OVDKZXOESQIJGQ-UHFFFAOYSA-N 2 0 351.535 3.286 20 0 FGADRP COC/C(C)=C\C[NH+]1CCCC2(CCC[N@@H+](C/C=C(/C)COC)C2)C1 ZINC000930512527 760629766 /nfs/dbraw/zinc/62/97/66/760629766.db2.gz UUFDYGHIYKCZEP-DWVBSFERSA-N 2 0 350.547 3.350 20 0 FGADRP CO[C@H](CN1CCC([N@@H+]2CCCOCC2)CC1)c1ccc(Cl)cc1 ZINC000931286742 760817533 /nfs/dbraw/zinc/81/75/33/760817533.db2.gz IKTQTGGHQFDCFG-LJQANCHMSA-N 2 0 352.906 3.214 20 0 FGADRP C[C@@H]1[C@H](C(=O)N2CCC([C@@H]3CCC[NH+](C/C=C\Cl)C3)CC2)CC[N@@H+]1C ZINC000961373270 762747176 /nfs/dbraw/zinc/74/71/76/762747176.db2.gz NMFNAEPXAOTCIG-PIDDPAKVSA-N 2 0 367.965 3.030 20 0 FGADRP CC[C@@H]1[C@@H](C(=O)N(C)C2CCC([NH2+]Cc3ccsc3)CC2)CC[N@@H+]1C ZINC000963344322 762771109 /nfs/dbraw/zinc/77/11/09/762771109.db2.gz MSKNXPZUWBBDRF-WZOJCFFYSA-N 2 0 363.571 3.338 20 0 FGADRP CC[C@@H]1[C@@H](C(=O)N(C)C2CC([NH2+]Cc3ccc(Cl)cc3)C2)CC[N@@H+]1C ZINC000998791068 765124416 /nfs/dbraw/zinc/12/44/16/765124416.db2.gz GYQXWJLSXIKBPT-WZOJCFFYSA-N 2 0 363.933 3.149 20 0 FGADRP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3c(Cl)cccc3Cl)C2)CC[N@@H+]1C ZINC001022103666 765973424 /nfs/dbraw/zinc/97/34/24/765973424.db2.gz KIDMWZGRSABWBG-YIYPIFLZSA-N 2 0 370.324 3.070 20 0 FGADRP C[C@@H]1[C@H](C(=O)N2CCCC[C@@H]2C[NH2+]Cc2ccccc2Cl)CC[N@@H+]1C ZINC001024966719 766064388 /nfs/dbraw/zinc/06/43/88/766064388.db2.gz AFLGKIIXCYFIGP-KBAYOESNSA-N 2 0 363.933 3.151 20 0 FGADRP Cc1cc(Cl)ccc1C[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001027892426 766104855 /nfs/dbraw/zinc/10/48/55/766104855.db2.gz VUGTZVAYDAIHPN-ATZDWAIDSA-N 2 0 363.933 3.069 20 0 FGADRP C[C@@H]1[C@H](C(=O)N2CCC[C@H](C3CC[NH+](C/C=C/Cl)CC3)C2)CC[N@@H+]1C ZINC001047243192 766632280 /nfs/dbraw/zinc/63/22/80/766632280.db2.gz XLTMUDFBSUNZER-UTUZXDLFSA-N 2 0 367.965 3.030 20 0 FGADRP O[C@H](CNc1nccc2ccc(F)cc21)C[N@@H+]1CCc2ccccc2C1 ZINC000570829590 505590246 /nfs/dbraw/zinc/59/02/46/505590246.db2.gz RQJMXWDFXHIRHL-LJQANCHMSA-N 2 0 351.425 3.205 20 0 FGADRP CC(C)[N@H+](C)CC1CCN(C(=O)NCCCCC[NH+]2CCCC2)CC1 ZINC000568043044 505602490 /nfs/dbraw/zinc/60/24/90/505602490.db2.gz KJXQHHSUJDGYEA-UHFFFAOYSA-N 2 0 352.567 3.014 20 0 FGADRP COc1ccc(C[NH2+]CC2(SC)CC[NH+](C)CC2)c(Br)c1 ZINC000573732002 505606745 /nfs/dbraw/zinc/60/67/45/505606745.db2.gz PPEDPOCTADVTBZ-UHFFFAOYSA-N 2 0 373.360 3.375 20 0 FGADRP CC(C)[C@@H](CNC(=O)c1ccccc1CC[NH3+])[N@@H+]1CCc2ccccc2C1 ZINC000568153635 505628829 /nfs/dbraw/zinc/62/88/29/505628829.db2.gz PCZRILBTXWTPAD-JOCHJYFZSA-N 2 0 365.521 3.001 20 0 FGADRP [NH3+][C@H]1CCO[C@@H](C2CC[NH+](Cc3cnn(-c4ccc(Cl)cc4)c3)CC2)C1 ZINC000573902454 505647580 /nfs/dbraw/zinc/64/75/80/505647580.db2.gz VXTSTAGVBQPCSI-AZUAARDMSA-N 2 0 374.916 3.244 20 0 FGADRP CC[NH+]1CCN(c2ccc(NC(=O)[C@H]([NH3+])CC3CCCCC3)c(C)c2)CC1 ZINC000573910796 505648969 /nfs/dbraw/zinc/64/89/69/505648969.db2.gz YHNJRGRELJQYLC-HXUWFJFHSA-N 2 0 372.557 3.373 20 0 FGADRP CC(C)[NH2+]CCCNC(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000568232978 505648998 /nfs/dbraw/zinc/64/89/98/505648998.db2.gz YPENEVSGUYBEOG-QFIPXVFZSA-N 2 0 372.557 3.072 20 0 FGADRP O=C(NC[C@H]1CCC[N@H+](Cc2cccs2)C1)Nc1ccc2c(c1)C[NH2+]C2 ZINC000577081923 505660955 /nfs/dbraw/zinc/66/09/55/505660955.db2.gz HTOZELJPCIRGTR-OAHLLOKOSA-N 2 0 370.522 3.385 20 0 FGADRP CC[NH+]1CCN(Cc2ccccc2C[NH2+]CCCc2cnccc2C)CC1 ZINC000577145717 505673031 /nfs/dbraw/zinc/67/30/31/505673031.db2.gz HIBBTUONYYCQAZ-UHFFFAOYSA-N 2 0 366.553 3.250 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N1CCC[N@@H+](C(C)C)CC1)c1ccccc1 ZINC000076052096 493813924 /nfs/dbraw/zinc/81/39/24/493813924.db2.gz QGYLGWKEZCANNE-HXUWFJFHSA-N 2 0 360.546 3.195 20 0 FGADRP C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)[C@@H]1C[NH2+]Cc2ccccc21 ZINC000568390402 505683347 /nfs/dbraw/zinc/68/33/47/505683347.db2.gz LTTTWPYOEGLHRV-HXUWFJFHSA-N 2 0 371.912 3.117 20 0 FGADRP C[NH+](C)Cc1ccccc1CNC(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000050025595 493891623 /nfs/dbraw/zinc/89/16/23/493891623.db2.gz ZMWPKQYEMSYTQF-UHFFFAOYSA-N 2 0 351.494 3.274 20 0 FGADRP Cc1cc(C)c(C[NH2+]Cc2ccc(C(=O)NCC[NH+](C)C)cc2)c(C)c1 ZINC000076894006 493985471 /nfs/dbraw/zinc/98/54/71/493985471.db2.gz UUFCMBWWDNKJRS-UHFFFAOYSA-N 2 0 353.510 3.193 20 0 FGADRP CC[NH+](CC)Cc1ccc(CNC(=O)N2CCC[N@@H+](C(C)C)CC2)cc1 ZINC000069732898 494004617 /nfs/dbraw/zinc/00/46/17/494004617.db2.gz YHXFNWFSWDZHAF-UHFFFAOYSA-N 2 0 360.546 3.154 20 0 FGADRP CCCC[N@H+](C)CC1CC[NH+](CC(=O)N[C@H](C)c2ccc(F)cc2)CC1 ZINC000052209952 494011228 /nfs/dbraw/zinc/01/12/28/494011228.db2.gz LUUFBVDTJXTBPX-QGZVFWFLSA-N 2 0 363.521 3.447 20 0 FGADRP Cc1cc(NC[C@@H](C)[NH+]2CCN(C)CC2)c2cc(OC(F)F)ccc2[nH+]1 ZINC000077215889 494034677 /nfs/dbraw/zinc/03/46/77/494034677.db2.gz DZVQJAJTQUAZHU-CQSZACIVSA-N 2 0 364.440 3.192 20 0 FGADRP CCc1nc2cc(C[NH2+][C@@H]3CCOC[C@@H]3[C@@H]3CCC[NH2+]3)ccc2n1C1CC1 ZINC000580182217 505697648 /nfs/dbraw/zinc/69/76/48/505697648.db2.gz WZKPPALJKTZRKD-CEXWTWQISA-N 2 0 368.525 3.180 20 0 FGADRP Cc1ccc(C[N@@H+](CC(=O)NC2CC[NH+](C(C)C)CC2)C2CC2)cc1C ZINC000077361151 494067560 /nfs/dbraw/zinc/06/75/60/494067560.db2.gz ICMMOPRHPVMGHO-UHFFFAOYSA-N 2 0 357.542 3.257 20 0 FGADRP C[NH+]1CCC(O)(C[NH2+]Cc2cccc(OCCCc3ccccc3)c2)CC1 ZINC000077450499 494086319 /nfs/dbraw/zinc/08/63/19/494086319.db2.gz KNFIXAGNGQTMBT-UHFFFAOYSA-N 2 0 368.521 3.245 20 0 FGADRP C[C@H]1C[C@@H]([NH3+])CCN1Cc1cnn(Cc2ccc(C(F)(F)F)cc2)c1 ZINC000571295147 505700853 /nfs/dbraw/zinc/70/08/53/505700853.db2.gz PTXXUFOJMHYANS-GUYCJALGSA-N 2 0 352.404 3.262 20 0 FGADRP CCC[N@@H+]1CC[C@H](CNC(=O)N2CCC[NH+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000077691584 494145302 /nfs/dbraw/zinc/14/53/02/494145302.db2.gz UISAKILLCBWWJK-PZJWPPBQSA-N 2 0 372.557 3.024 20 0 FGADRP CC(C)[C@@H](C(=O)Nc1cccc(C[NH+]2CCC(O)CC2)c1)[NH+]1CCCCC1 ZINC000086238867 494145826 /nfs/dbraw/zinc/14/58/26/494145826.db2.gz FTGJQSSKWHBLHG-NRFANRHFSA-N 2 0 373.541 3.092 20 0 FGADRP Cc1ccc([C@H](CNC(=O)NC[C@H](C)C[NH+]2CCCCC2)[NH+](C)C)cc1 ZINC000065468091 494200186 /nfs/dbraw/zinc/20/01/86/494200186.db2.gz RNQDWAYFLAUAIA-ICSRJNTNSA-N 2 0 360.546 3.019 20 0 FGADRP CC1CC[NH+]([C@@H](CNC(=O)Nc2ncccc2C[NH3+])c2ccccc2)CC1 ZINC000568488516 505707721 /nfs/dbraw/zinc/70/77/21/505707721.db2.gz OZNIYSYTZWCTRP-IBGZPJMESA-N 2 0 367.497 3.135 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)C1 ZINC000042910790 494251590 /nfs/dbraw/zinc/25/15/90/494251590.db2.gz LKICGZJKZOPQPR-CALCHBBNSA-N 2 0 366.594 3.353 20 0 FGADRP C[C@@H](c1ccccc1)N1CC[C@@H]([NH2+]CCCC[NH+]2C[C@@H](C)O[C@H](C)C2)C1 ZINC000088695294 494254968 /nfs/dbraw/zinc/25/49/68/494254968.db2.gz QQHBCNZIAYNRCL-XWSHUIEDSA-N 2 0 359.558 3.301 20 0 FGADRP CC(C)Cc1ccc(C[NH2+]Cc2ccc(C(=O)NCC[NH+](C)C)cc2)cc1 ZINC000088727226 494256836 /nfs/dbraw/zinc/25/68/36/494256836.db2.gz UMHNANLHOVRWOX-UHFFFAOYSA-N 2 0 367.537 3.466 20 0 FGADRP CC(C)C[NH+]1CCC(NC(=O)N[C@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)CC1 ZINC000054717451 494264825 /nfs/dbraw/zinc/26/48/25/494264825.db2.gz IWFIVOHKZYDBIO-RXVVDRJESA-N 2 0 372.557 3.242 20 0 FGADRP CC(C)[NH+](CCNC(=O)NC1CC[NH+](CCc2ccccc2)CC1)C(C)C ZINC000078435018 494296905 /nfs/dbraw/zinc/29/69/05/494296905.db2.gz AWVRAVFSIPBGOF-UHFFFAOYSA-N 2 0 374.573 3.112 20 0 FGADRP Cc1c[nH+]ccc1N1CCC(C(=O)N[C@@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000073050637 494313937 /nfs/dbraw/zinc/31/39/37/494313937.db2.gz RCUASYGBVDOSFD-SCTDSRPQSA-N 2 0 372.557 3.089 20 0 FGADRP Cc1ccc(Br)cc1NC(=O)CC[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000089640395 494335890 /nfs/dbraw/zinc/33/58/90/494335890.db2.gz JBSITVWKCCKCQY-DZGCQCFKSA-N 2 0 368.319 3.016 20 0 FGADRP CCc1ccc(C[NH2+]Cc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)s1 ZINC000066594169 494362598 /nfs/dbraw/zinc/36/25/98/494362598.db2.gz BXJLYCQEFJPPAG-GOSISDBHSA-N 2 0 371.550 3.298 20 0 FGADRP O=C(NCc1ccccc1C[NH+]1CCCC1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000078986283 494388839 /nfs/dbraw/zinc/38/88/39/494388839.db2.gz UZKPAUHZCITVSE-OAQYLSRUSA-N 2 0 370.541 3.052 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)C1CCN(c2cc[nH+]cc2C)CC1)CC(C)C ZINC000073638401 494405350 /nfs/dbraw/zinc/40/53/50/494405350.db2.gz VWFLTZOFNTVCRI-FQEVSTJZSA-N 2 0 374.573 3.479 20 0 FGADRP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)N(C)CC[C@@H]1CCCC[NH+]1C ZINC000073677004 494411275 /nfs/dbraw/zinc/41/12/75/494411275.db2.gz FNDBJKQQYXMQRR-OALUTQOASA-N 2 0 352.567 3.157 20 0 FGADRP C[C@H]1CCC[N@H+](CCCCNC(=O)N(C)CC[C@@H]2CCCC[NH+]2C)C1 ZINC000073677257 494411688 /nfs/dbraw/zinc/41/16/88/494411688.db2.gz SWASCMIOQHIRQO-OALUTQOASA-N 2 0 352.567 3.014 20 0 FGADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000079170725 494413424 /nfs/dbraw/zinc/41/34/24/494413424.db2.gz CDYHZAFDNZFKOS-NRFANRHFSA-N 2 0 372.557 3.297 20 0 FGADRP O=C1COc2ccccc2N1CCC[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000090104619 494442180 /nfs/dbraw/zinc/44/21/80/494442180.db2.gz CWZBNQLTMIVHGJ-UHFFFAOYSA-N 2 0 371.525 3.189 20 0 FGADRP Cc1ccc([C@@H](CNC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)[NH+]2CCCC2)cc1 ZINC000073919028 494449096 /nfs/dbraw/zinc/44/90/96/494449096.db2.gz POAAKTTYIJRNHP-QHAWAJNXSA-N 2 0 370.541 3.010 20 0 FGADRP Cc1ccccc1C[NH+]1CCC(NC(=O)NCC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000045757620 494458113 /nfs/dbraw/zinc/45/81/13/494458113.db2.gz RZCVWJFNAPXRAO-IBGZPJMESA-N 2 0 372.557 3.133 20 0 FGADRP C[C@@H]([NH2+]CCOc1ccc(Cl)cn1)c1ccc(OCC[NH+](C)C)cc1 ZINC000090409424 494463074 /nfs/dbraw/zinc/46/30/74/494463074.db2.gz PWNTZNUNLABMMF-OAHLLOKOSA-N 2 0 363.889 3.405 20 0 FGADRP C[C@H]([NH2+]CCOc1ncccc1Cl)c1ccc(OCC[NH+](C)C)cc1 ZINC000090408556 494463657 /nfs/dbraw/zinc/46/36/57/494463657.db2.gz ZMOXMMVSGYQHFP-HNNXBMFYSA-N 2 0 363.889 3.405 20 0 FGADRP COc1ccc([C@@H](C)[NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)cc1OC ZINC000090522590 494478055 /nfs/dbraw/zinc/47/80/55/494478055.db2.gz XNXJQTMHZPCMCP-MNEFBYGVSA-N 2 0 362.514 3.122 20 0 FGADRP C[C@H]([NH2+]Cc1cn(C)nc1C(F)(F)F)c1cccc(OCC[NH+](C)C)c1 ZINC000090666427 494491984 /nfs/dbraw/zinc/49/19/84/494491984.db2.gz VXOQUICVNQJPDE-ZDUSSCGKSA-N 2 0 370.419 3.230 20 0 FGADRP C[C@@H](CNC(=O)c1oc2ccccc2c1C[NH+](C)C)[NH+]1CCC(C)CC1 ZINC000074257095 494505028 /nfs/dbraw/zinc/50/50/28/494505028.db2.gz UYVOYHBQVYCYSE-INIZCTEOSA-N 2 0 357.498 3.345 20 0 FGADRP C[NH+](C)CCC1CC[NH+](C[C@H](O)COc2cccc3ccccc32)CC1 ZINC000056523125 494519724 /nfs/dbraw/zinc/51/97/24/494519724.db2.gz LBDFBFJPIBFESN-FQEVSTJZSA-N 2 0 356.510 3.243 20 0 FGADRP C[C@H](C(=O)NCc1ccccc1Cl)[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000056523995 494520053 /nfs/dbraw/zinc/52/00/53/494520053.db2.gz GUKZYDUENFGBIM-OAHLLOKOSA-N 2 0 351.922 3.008 20 0 FGADRP NC(=O)[C@H]1CCC[N@H+](CCC[NH2+][C@@H](c2ccc(F)cc2)C2CCCC2)C1 ZINC000091333554 494584632 /nfs/dbraw/zinc/58/46/32/494584632.db2.gz FQHGIUBUGQGDIK-AZUAARDMSA-N 2 0 361.505 3.234 20 0 FGADRP C[C@@H](NC(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1)C(C)(C)C[NH+](C)C ZINC000121083310 494587231 /nfs/dbraw/zinc/58/72/31/494587231.db2.gz ZDOKYPSUNMNQAS-GOSISDBHSA-N 2 0 374.573 3.269 20 0 FGADRP C[C@@H]1C[C@H]([NH2+]Cc2ccnc(N3CCCC3)c2)CN1Cc1ccccc1 ZINC000131391071 494602932 /nfs/dbraw/zinc/60/29/32/494602932.db2.gz KPJFFSHOKSYMQM-NQIIRXRSSA-N 2 0 350.510 3.434 20 0 FGADRP CC[NH+](CC)CCC[NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000131390562 494603106 /nfs/dbraw/zinc/60/31/06/494603106.db2.gz RPRUMMSYUGTOBC-UHFFFAOYSA-N 2 0 351.922 3.266 20 0 FGADRP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)c1ccccc1CC1CC[NH2+]CC1 ZINC000580315399 505731413 /nfs/dbraw/zinc/73/14/13/505731413.db2.gz HEEFQCZSNVXPOW-HXUWFJFHSA-N 2 0 357.542 3.175 20 0 FGADRP C[C@@H]1C[C@@H](NC(=O)N(C)CC2CC[NH+](C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000080166443 494621659 /nfs/dbraw/zinc/62/16/59/494621659.db2.gz ONZNUTMCLJUZJK-NQIIRXRSSA-N 2 0 372.557 3.023 20 0 FGADRP CC[NH+](CC)Cc1ccccc1CNC(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000121168475 494628335 /nfs/dbraw/zinc/62/83/35/494628335.db2.gz VDJNVQBIQZINSG-SFHVURJKSA-N 2 0 360.546 3.060 20 0 FGADRP COC(=O)c1oc([C@H](C)[NH+]2CCC(OCC[NH+]3CCCC3)CC2)cc1C ZINC000121171516 494630047 /nfs/dbraw/zinc/63/00/47/494630047.db2.gz UHTPWKKJVFBYEZ-INIZCTEOSA-N 2 0 364.486 3.012 20 0 FGADRP C[NH+](C)Cc1ccc(CNC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000057137799 494653014 /nfs/dbraw/zinc/65/30/14/494653014.db2.gz DWVPYMPGCQZDDJ-JOCHJYFZSA-N 2 0 365.521 3.277 20 0 FGADRP C[NH+](C)[C@@H](CNC(=O)C1CC[NH+](Cc2ccccc2)CC1)c1cccs1 ZINC000047302657 494676647 /nfs/dbraw/zinc/67/66/47/494676647.db2.gz TYEPDIKMTQCIFP-IBGZPJMESA-N 2 0 371.550 3.379 20 0 FGADRP C[C@H]1C[NH+](CC2CC[NH+](Cc3ccc(N4CCCC4)nc3)CC2)C[C@H](C)O1 ZINC000092587223 494677824 /nfs/dbraw/zinc/67/78/24/494677824.db2.gz ZISMNQDGIRZAOR-OALUTQOASA-N 2 0 372.557 3.003 20 0 FGADRP CC[NH+](CC)Cc1ccccc1CNC(=O)NCC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000057280730 494704771 /nfs/dbraw/zinc/70/47/71/494704771.db2.gz UZVATZWHSGZJCH-PRJVBOEPSA-N 2 0 372.557 3.200 20 0 FGADRP C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]CC1CC[NH+](C)CC1 ZINC000126367541 494726641 /nfs/dbraw/zinc/72/66/41/494726641.db2.gz JDGPVVDGDWLSON-ZDUSSCGKSA-N 2 0 368.319 3.098 20 0 FGADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H]1CCCc2ccc(Br)cc21 ZINC000092747339 494736342 /nfs/dbraw/zinc/73/63/42/494736342.db2.gz GRPXBIWHTXAAPZ-KDOFPFPSSA-N 2 0 366.347 3.052 20 0 FGADRP C[NH+]1CCC(Nc2ccccc2NC(=O)[C@@H]2C[C@@H]3CCCC[N@@H+]3C2)CC1 ZINC000080616917 494748746 /nfs/dbraw/zinc/74/87/46/494748746.db2.gz PELLDUHGPMFAFK-AEFFLSMTSA-N 2 0 356.514 3.006 20 0 FGADRP CC[C@H]1CCCCN1C(=O)C[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821091 494763697 /nfs/dbraw/zinc/76/36/97/494763697.db2.gz HOSYXGIKTXENQN-FQEVSTJZSA-N 2 0 372.557 3.411 20 0 FGADRP C[C@@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)CC[N@@H+]1Cc1ccccc1 ZINC000075490925 494776347 /nfs/dbraw/zinc/77/63/47/494776347.db2.gz UUMWYWBBAAOHMX-LJQANCHMSA-N 2 0 365.521 3.485 20 0 FGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](c1ccc(OC)cc1)[NH+]1CCCCC1 ZINC000116431041 494785342 /nfs/dbraw/zinc/78/53/42/494785342.db2.gz NYJRIBIGPHOIIL-SFTDATJTSA-N 2 0 373.541 3.213 20 0 FGADRP FC(F)(F)COc1ccccc1C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000075639658 494807896 /nfs/dbraw/zinc/80/78/96/494807896.db2.gz OBCGLTJEPDPMDM-UHFFFAOYSA-N 2 0 372.431 3.172 20 0 FGADRP C[NH+](C)CC[C@@H](NC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1)C(C)(C)C ZINC000116566958 494817252 /nfs/dbraw/zinc/81/72/52/494817252.db2.gz SQNFQJZQGNJEQS-ZWKOTPCHSA-N 2 0 352.567 3.013 20 0 FGADRP Cc1ccc(CN(C(=O)C[NH+]2CCC(CC[NH+](C)C)CC2)C2CC2)cc1 ZINC000121625271 494824351 /nfs/dbraw/zinc/82/43/51/494824351.db2.gz MPXZFDRIAYORDM-UHFFFAOYSA-N 2 0 357.542 3.150 20 0 FGADRP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccc(OCCC(C)C)cc3)C2)CC1 ZINC000093133154 494829863 /nfs/dbraw/zinc/82/98/63/494829863.db2.gz RHHMDFYNZMYFSC-OAQYLSRUSA-N 2 0 359.558 3.323 20 0 FGADRP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccc(-c4ccncc4)cc3F)C2)CC1 ZINC000093132708 494830353 /nfs/dbraw/zinc/83/03/53/494830353.db2.gz VPUHWHBIKLCPFO-OAQYLSRUSA-N 2 0 368.500 3.100 20 0 FGADRP c1ccc(CC[N@@H+]2CC[C@H](C[NH2+][C@@H]3[C@@H]4CCO[C@@H]4C34CCCC4)C2)cc1 ZINC000121669152 494834408 /nfs/dbraw/zinc/83/44/08/494834408.db2.gz XTSJLGMJHIWRGA-MBDNFAEBSA-N 2 0 354.538 3.488 20 0 FGADRP Cn1c2ccc(C(F)(F)F)cc2nc1C[N@H+](C)CC1CC[NH+](C)CC1 ZINC000132212892 494839386 /nfs/dbraw/zinc/83/93/86/494839386.db2.gz BXYJYXIPHLBWJM-UHFFFAOYSA-N 2 0 354.420 3.366 20 0 FGADRP CC(C)[C@@H](C[NH2+][C@@H]1CC2(CCC2)Oc2ccccc21)N1CC[NH+](C)CC1 ZINC000132511319 494886510 /nfs/dbraw/zinc/88/65/10/494886510.db2.gz QCCAOYRUNUJOJX-WOJBJXKFSA-N 2 0 357.542 3.295 20 0 FGADRP C[NH+](C)[C@@H](CNC(=O)NC[C@H](c1ccccc1)[NH+](C)C)c1ccc(F)cc1 ZINC000127156574 494902394 /nfs/dbraw/zinc/90/23/94/494902394.db2.gz DROYEBZQQOFWOS-UXHICEINSA-N 2 0 372.488 3.031 20 0 FGADRP CN(c1ccccc1CN1CC[C@H](C[NH+]2CCCC2)C1)C1CC[NH+](C)CC1 ZINC000093597719 494902877 /nfs/dbraw/zinc/90/28/77/494902877.db2.gz GENTWLYOYKHBJC-HXUWFJFHSA-N 2 0 370.585 3.135 20 0 FGADRP CN(c1ccccc1C[N@@H+]1CCOC2(CCCC2)C1)C1CC[NH+](C)CC1 ZINC000093589115 494903148 /nfs/dbraw/zinc/90/31/48/494903148.db2.gz VVGDOJJDXUOIPW-UHFFFAOYSA-N 2 0 357.542 3.362 20 0 FGADRP Fc1ccc(-n2cc(C[NH+]3CCC(OCC[NH+]4CCCC4)CC3)cn2)cc1 ZINC000093735203 494915338 /nfs/dbraw/zinc/91/53/38/494915338.db2.gz PQZAPUUITYPXLQ-UHFFFAOYSA-N 2 0 372.488 3.088 20 0 FGADRP CCn1nc(C)c(C[NH+]2CCC(CCC[N@H+](C)CCOC)CC2)c1C ZINC000093769427 494919323 /nfs/dbraw/zinc/91/93/23/494919323.db2.gz GYTSDFVJRGJMKF-UHFFFAOYSA-N 2 0 350.551 3.090 20 0 FGADRP CC[N@H+](Cc1ccc(C(=O)N(C)[C@H]2CC[NH+](CC)C[C@H]2C)cc1)C1CC1 ZINC000122120658 494927462 /nfs/dbraw/zinc/92/74/62/494927462.db2.gz ORXDGHRQZMEJKR-UTKZUKDTSA-N 2 0 357.542 3.473 20 0 FGADRP C[C@@H](NC1CC[NH+](C[C@@H]2CCOC2)CC1)c1cccc(OC(F)F)c1 ZINC000132929150 494944587 /nfs/dbraw/zinc/94/45/87/494944587.db2.gz FLOSXRMRYUVEMV-CABCVRRESA-N 2 0 354.441 3.440 20 0 FGADRP Cc1csc(N2CCC([NH2+]Cc3ccccc3OCC[NH+](C)C)CC2)n1 ZINC000122298118 494953782 /nfs/dbraw/zinc/95/37/82/494953782.db2.gz XZKDDNKVMMWTBT-UHFFFAOYSA-N 2 0 374.554 3.151 20 0 FGADRP CCCCOc1ccc([C@@H](C)[NH2+]C[C@@H](C)N2CC[NH+](C)CC2)cc1OC ZINC000127750143 494991950 /nfs/dbraw/zinc/99/19/50/494991950.db2.gz PMXOSTKPQJHAGT-QZTJIDSGSA-N 2 0 363.546 3.161 20 0 FGADRP CCC[NH+]1CCC(C[NH2+][C@H](C)c2cc(OC)c(OC)c(OC)c2)CC1 ZINC000122702814 495019276 /nfs/dbraw/zinc/01/92/76/495019276.db2.gz XNHVCEYGMFMWEY-OAHLLOKOSA-N 2 0 350.503 3.485 20 0 FGADRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCc2cccc(C[NH+](C)C)c2)C1 ZINC000097257385 495029433 /nfs/dbraw/zinc/02/94/33/495029433.db2.gz PKJUANWNFKVJOR-QGZVFWFLSA-N 2 0 360.546 3.058 20 0 FGADRP CC[NH+](CC)[C@H](C(=O)NC[C@@H](c1ccccc1)[NH+](C)C)c1ccccc1 ZINC000111071710 495036509 /nfs/dbraw/zinc/03/65/09/495036509.db2.gz FHECZBKRMTZKRY-SFTDATJTSA-N 2 0 353.510 3.489 20 0 FGADRP CC[NH+](CC)Cc1ccccc1CNC(=O)N(C)[C@H]1CC[N@H+](CC)C[C@H]1C ZINC000128079239 495041689 /nfs/dbraw/zinc/04/16/89/495041689.db2.gz JPBJKEZFKOSGCF-NQIIRXRSSA-N 2 0 374.573 3.400 20 0 FGADRP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+]1CCC2(CCC2)C1 ZINC000123025750 495068955 /nfs/dbraw/zinc/06/89/55/495068955.db2.gz NLJQUOARXJWOLB-SFHVURJKSA-N 2 0 355.526 3.032 20 0 FGADRP C[C@@H](CNC(=O)Nc1cccc(C[NH+](C)C)c1)[N@H+](C)Cc1ccccc1 ZINC000111418983 495073057 /nfs/dbraw/zinc/07/30/57/495073057.db2.gz LGPOFGLHOINTLF-KRWDZBQOSA-N 2 0 354.498 3.390 20 0 FGADRP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC2CC[NH+](C(C)C)CC2)C1 ZINC000111439308 495074521 /nfs/dbraw/zinc/07/45/21/495074521.db2.gz ZKEBOOTUDXXSJX-KRWDZBQOSA-N 2 0 352.567 3.059 20 0 FGADRP C[NH+](C)CCNC(=O)c1ccc(C[NH2+]Cc2cc(Cl)ccc2F)cc1 ZINC000119279278 495132709 /nfs/dbraw/zinc/13/27/09/495132709.db2.gz CZSYFYJSTCJLRJ-UHFFFAOYSA-N 2 0 363.864 3.060 20 0 FGADRP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)N2CCC[C@H]([NH+]3CCCC3)C2)C1 ZINC000119317159 495140727 /nfs/dbraw/zinc/14/07/27/495140727.db2.gz UCDSDARZPALGCU-AQNXPRMDSA-N 2 0 364.578 3.014 20 0 FGADRP OCC[NH+]1CCC(C[NH2+]Cc2cccc(OCc3ccc(F)cc3)c2)CC1 ZINC000119343839 495146515 /nfs/dbraw/zinc/14/65/15/495146515.db2.gz CODQNGMGDMHNDD-UHFFFAOYSA-N 2 0 372.484 3.199 20 0 FGADRP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2Cc2ccccc2)C1 ZINC000119600174 495199043 /nfs/dbraw/zinc/19/90/43/495199043.db2.gz UNELHFBQSFPROL-SFTDATJTSA-N 2 0 357.542 3.135 20 0 FGADRP O[C@@H](COc1ccccc1Cl)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134874620 495213162 /nfs/dbraw/zinc/21/31/62/495213162.db2.gz ZSLRZLUKUXEOEW-SZVBFZGTSA-N 2 0 364.917 3.028 20 0 FGADRP CC(C)[NH+](CCNC(=O)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1)C(C)C ZINC000103297480 495214980 /nfs/dbraw/zinc/21/49/80/495214980.db2.gz AQHROSPUJACOKR-HXUWFJFHSA-N 2 0 366.594 3.259 20 0 FGADRP CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C[C@H]([NH3+])c1ccccc1 ZINC000119695198 495220756 /nfs/dbraw/zinc/22/07/56/495220756.db2.gz DGAFEDINOUWMMK-CTNGQTDRSA-N 2 0 351.494 3.057 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)N[C@H]2CC[NH2+][C@H](C)C2)C1 ZINC000574425945 505770197 /nfs/dbraw/zinc/77/01/97/505770197.db2.gz DFHYRRCDSGFMDF-IIMDRIAPSA-N 2 0 372.557 3.104 20 0 FGADRP C[C@H]1C[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C[N@@H+]1Cc1ccccc1 ZINC000577647426 505770236 /nfs/dbraw/zinc/77/02/36/505770236.db2.gz NUFVKICSYQTQBW-PGRDOPGGSA-N 2 0 365.521 3.184 20 0 FGADRP CN(C)CC[NH+]1CCC(C[NH2+][C@@H]2CCCOc3ccc(Cl)cc32)CC1 ZINC000124332302 495271445 /nfs/dbraw/zinc/27/14/45/495271445.db2.gz RLUPLWCELFPMDW-LJQANCHMSA-N 2 0 365.949 3.417 20 0 FGADRP C[NH+](C)CC1CCC(NC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2)CC1 ZINC000119992342 495284261 /nfs/dbraw/zinc/28/42/61/495284261.db2.gz ZLKAVEMAVLLHJK-CBNMVNINSA-N 2 0 357.542 3.278 20 0 FGADRP C[C@H](CS(=O)(=O)c1ccccc1)[NH2+]CCCCC[NH+]1CCCCC1 ZINC000120085827 495304301 /nfs/dbraw/zinc/30/43/01/495304301.db2.gz KCBFQWORLNIAEU-GOSISDBHSA-N 2 0 352.544 3.095 20 0 FGADRP COc1ccc([C@@H](C)[NH2+]CC2(N3CCCCC3)CC[NH+](C)CC2)cc1F ZINC000124658944 495323655 /nfs/dbraw/zinc/32/36/55/495323655.db2.gz KSJAMLKFQIXLKO-QGZVFWFLSA-N 2 0 363.521 3.435 20 0 FGADRP C[C@@H]([NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1)c1ccc2c(c1)OCCO2 ZINC000124707869 495331048 /nfs/dbraw/zinc/33/10/48/495331048.db2.gz PPRFQTCKYFSKKE-GOSISDBHSA-N 2 0 373.541 3.059 20 0 FGADRP CC[N@@H+]1CCC[C@H](CNC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000105094059 495335906 /nfs/dbraw/zinc/33/59/06/495335906.db2.gz IXGKXNUMETVIDB-OAQYLSRUSA-N 2 0 372.557 3.204 20 0 FGADRP CC[N@@H+]1CCC[C@@H](CNC(=O)NC[C@@H](c2ccc(C)cc2)[NH+]2CCCC2)C1 ZINC000105207658 495345299 /nfs/dbraw/zinc/34/52/99/495345299.db2.gz XUMWZJWITGVEQF-FPOVZHCZSA-N 2 0 372.557 3.163 20 0 FGADRP CCCc1cc(N2CC[C@@H]([NH+]3CCN(CC)CC3)C2)c2ccccc2[nH+]1 ZINC000124870033 495357022 /nfs/dbraw/zinc/35/70/22/495357022.db2.gz SMNBFDAQVINVIL-LJQANCHMSA-N 2 0 352.526 3.404 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cc(OC)nc3ccccc23)[C@H](C)C1 ZINC000124869250 495357207 /nfs/dbraw/zinc/35/72/07/495357207.db2.gz FADDNBMVTRHQKK-XLIONFOSSA-N 2 0 371.525 3.470 20 0 FGADRP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)NCCCC[NH+]2CCC[C@@H](C)C2)C1 ZINC000124939761 495367737 /nfs/dbraw/zinc/36/77/37/495367737.db2.gz QICCZRLGASRNGR-UXHICEINSA-N 2 0 366.594 3.166 20 0 FGADRP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@@H](c3ccccc3)CC2)CC1 ZINC000114456386 495376837 /nfs/dbraw/zinc/37/68/37/495376837.db2.gz MFEJOLPFRPLWDK-HXUWFJFHSA-N 2 0 357.542 3.245 20 0 FGADRP CC1CC[NH+]([C@H](CNC(=O)[C@@H]2CCn3cncc3C2)c2cccs2)CC1 ZINC000130350888 495377977 /nfs/dbraw/zinc/37/79/77/495377977.db2.gz DWEGPCACQJBBON-SJLPKXTDSA-N 2 0 372.538 3.096 20 0 FGADRP Cc1nn(C)c(C)c1C[C@H](C)[NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000120482566 495388712 /nfs/dbraw/zinc/38/87/12/495388712.db2.gz FZEHTPARLUZSQX-HOTGVXAUSA-N 2 0 358.530 3.259 20 0 FGADRP CCC[N@H+](CC[C@H]1CCC[NH+]1C)C1CCN(C(=O)c2ccccc2)CC1 ZINC000125088342 495388789 /nfs/dbraw/zinc/38/87/89/495388789.db2.gz DSAPECRAHYSAJF-HXUWFJFHSA-N 2 0 357.542 3.488 20 0 FGADRP CC[C@@H](Cc1ccccc1)[N@H+](CC)CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000120507753 495394265 /nfs/dbraw/zinc/39/42/65/495394265.db2.gz PGKCDYYKONEVNO-NRFANRHFSA-N 2 0 359.558 3.319 20 0 FGADRP Cc1ccc2c(c1)OCCC[C@H]2[NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000130463102 495396398 /nfs/dbraw/zinc/39/63/98/495396398.db2.gz OPXAYWRQEQRRMM-HXUWFJFHSA-N 2 0 366.509 3.145 20 0 FGADRP CCC[N@@H+]1CC[C@H](CNC(=O)NC[C@@H](c2ccc(C)cc2)[NH+]2CCCC2)C1 ZINC000130611153 495418874 /nfs/dbraw/zinc/41/88/74/495418874.db2.gz JLXUFHILYOPMET-CTNGQTDRSA-N 2 0 372.557 3.163 20 0 FGADRP C[C@H]1C[C@@H](NC(=O)NC2CCC(C[NH+](C)C)CC2)C[N@@H+]1Cc1ccccc1 ZINC000125409751 495440097 /nfs/dbraw/zinc/44/00/97/495440097.db2.gz RFTMEXBLIQFFGY-VWEINGBSSA-N 2 0 372.557 3.069 20 0 FGADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)C1 ZINC000130767008 495441847 /nfs/dbraw/zinc/44/18/47/495441847.db2.gz TYEGTJCSGHPTHR-UXHICEINSA-N 2 0 364.578 3.014 20 0 FGADRP FC(F)CN1CCC([NH2+]CC2CC[NH+](Cc3cccs3)CC2)CC1 ZINC000125480926 495451353 /nfs/dbraw/zinc/45/13/53/495451353.db2.gz RDFGXTZULFMVBP-UHFFFAOYSA-N 2 0 357.514 3.279 20 0 FGADRP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)N(CC[NH+](C)C)Cc2ccccc2)C1 ZINC000130852995 495456019 /nfs/dbraw/zinc/45/60/19/495456019.db2.gz KYNXRPAZAXPIHS-NRFANRHFSA-N 2 0 374.573 3.128 20 0 FGADRP CCN(CC)C(=O)C[C@H](C)[NH2+]CC1CC[NH+](Cc2cccs2)CC1 ZINC000125513978 495456783 /nfs/dbraw/zinc/45/67/83/495456783.db2.gz GMEYGSADYQGXPH-INIZCTEOSA-N 2 0 351.560 3.197 20 0 FGADRP O=C(NCc1cccc(C[NH+]2CCCC2)c1)N1CCCC[C@H]1c1ncc[nH]1 ZINC000106528714 495462719 /nfs/dbraw/zinc/46/27/19/495462719.db2.gz VJDJTJDJIMAKGJ-IBGZPJMESA-N 2 0 367.497 3.442 20 0 FGADRP CC(C)[C@H](C(=O)NC[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)[NH+](C)C ZINC000125562921 495463334 /nfs/dbraw/zinc/46/33/34/495463334.db2.gz HIJTWXBPTMBIEE-BMGDILEWSA-N 2 0 369.912 3.174 20 0 FGADRP C[N@H+](CCNC(=O)C1CC[NH+](C[C@H]2CC=CCC2)CC1)Cc1ccccc1 ZINC000130902610 495464203 /nfs/dbraw/zinc/46/42/03/495464203.db2.gz WGPOZFVBWYLUJD-NRFANRHFSA-N 2 0 369.553 3.303 20 0 FGADRP C[C@H](C[NH2+][C@@H](C)c1ccccc1OC(F)(F)F)CN1CC[NH+](C)CC1 ZINC000120830944 495466999 /nfs/dbraw/zinc/46/69/99/495466999.db2.gz UWTPSSDDTHUTNY-CABCVRRESA-N 2 0 359.436 3.119 20 0 FGADRP COCc1ccc(C[NH2+]CCCC[NH+]2CCN(c3ccccc3)CC2)o1 ZINC000125728845 495489109 /nfs/dbraw/zinc/48/91/09/495489109.db2.gz OUMFRCMIYLQIIW-UHFFFAOYSA-N 2 0 357.498 3.118 20 0 FGADRP Cc1nc2ccccc2n1CCNC(=O)N1CCC([N@H+]2CCC[C@H]2C)CC1 ZINC000125857368 495509439 /nfs/dbraw/zinc/50/94/39/495509439.db2.gz MJNXLSSTEVNFCD-MRXNPFEDSA-N 2 0 369.513 3.003 20 0 FGADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H](C)c2ccc(Br)cc2F)CC1 ZINC000125895006 495515163 /nfs/dbraw/zinc/51/51/63/495515163.db2.gz HVZCQQWSXVBPAK-KGLIPLIRSA-N 2 0 372.326 3.265 20 0 FGADRP C[C@@H]1CCC[C@](CN[C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)([NH+](C)C)C1 ZINC000131285204 495516602 /nfs/dbraw/zinc/51/66/02/495516602.db2.gz ISYUDJDHXJYBNZ-KIZRIRGWSA-N 2 0 358.574 3.392 20 0 FGADRP CC(C)[NH+]1CCC(NC(=O)Nc2ccc(OCCC[NH+](C)C)cc2)CC1 ZINC000107386183 495526700 /nfs/dbraw/zinc/52/67/00/495526700.db2.gz MRQSYRKZYMDKBV-UHFFFAOYSA-N 2 0 362.518 3.011 20 0 FGADRP C[C@H](NC(=O)NCCC[N@@H+]1CCCC[C@H]1C)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000182372339 495537388 /nfs/dbraw/zinc/53/73/88/495537388.db2.gz RBAYACPENMSGED-CEXWTWQISA-N 2 0 364.578 3.203 20 0 FGADRP C[C@H]([NH2+]CCCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1ccc(-n2cnnn2)cc1 ZINC000158603005 495548473 /nfs/dbraw/zinc/54/84/73/495548473.db2.gz VTEOPPWOOYDSEC-KURKYZTESA-N 2 0 356.518 3.071 20 0 FGADRP CCn1nccc1CC[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000580574518 505789273 /nfs/dbraw/zinc/78/92/73/505789273.db2.gz YBUYVNZVRBXHFM-JOCHJYFZSA-N 2 0 352.526 3.434 20 0 FGADRP Cc1ccc([C@@H]2CCCCC[N@H+]2CC(=O)NC2CC[NH+](C(C)C)CC2)o1 ZINC000158667215 495562303 /nfs/dbraw/zinc/56/23/03/495562303.db2.gz KUGNKSIPXGXDCQ-IBGZPJMESA-N 2 0 361.530 3.494 20 0 FGADRP C[C@@H](CCNC(=O)NC1CC[NH+](Cc2ccccc2)CC1)[NH+]1CCCCC1 ZINC000182448258 495568981 /nfs/dbraw/zinc/56/89/81/495568981.db2.gz CSRKWSKGUQLVTH-IBGZPJMESA-N 2 0 372.557 3.215 20 0 FGADRP C[N@@H+]1CCC[C@H]2C[NH+](CCc3nc(-c4ccc(Cl)cc4)no3)CC[C@@H]21 ZINC000158741577 495579116 /nfs/dbraw/zinc/57/91/16/495579116.db2.gz DYOUAWCECVXPMO-RDJZCZTQSA-N 2 0 360.889 3.349 20 0 FGADRP CC[NH+]1CCN(CCC[NH2+][C@H](C)c2ccc(OC(F)(F)F)cc2)CC1 ZINC000154326699 495582576 /nfs/dbraw/zinc/58/25/76/495582576.db2.gz QCZNUXWJBVBMAV-OAHLLOKOSA-N 2 0 359.436 3.263 20 0 FGADRP C[C@H]([NH2+]CCCC[NH+]1CCN(C)CC1)c1ccccc1Br ZINC000154360741 495592799 /nfs/dbraw/zinc/59/27/99/495592799.db2.gz HATOLEAKYXJNJB-HNNXBMFYSA-N 2 0 354.336 3.127 20 0 FGADRP C[C@@H](O)C[C@H]1CCC[N@@H+]1Cc1ccccc1C[NH+]1CCC[C@H]1C[C@@H](C)O ZINC000179453942 495597605 /nfs/dbraw/zinc/59/76/05/495597605.db2.gz WQVSTJMVJXQRJO-YHBROIRLSA-N 2 0 360.542 3.157 20 0 FGADRP Cc1csc(=O)n1CC[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000158844747 495599751 /nfs/dbraw/zinc/59/97/51/495599751.db2.gz XRGZHHMVSMCWJO-MRXNPFEDSA-N 2 0 351.560 3.195 20 0 FGADRP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3ccc(-c4ccc(F)cc4)o3)C2)CC1 ZINC000179476658 495605952 /nfs/dbraw/zinc/60/59/52/495605952.db2.gz TWQDYVPRTISOIS-IBGZPJMESA-N 2 0 357.473 3.298 20 0 FGADRP C[C@H](NC(=O)NCC[N@H+](C)Cc1ccccc1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000182555513 495613158 /nfs/dbraw/zinc/61/31/58/495613158.db2.gz BJMBLGNECFZIRH-AZUAARDMSA-N 2 0 372.557 3.071 20 0 FGADRP O=C(CC[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1)Nc1ccc(Cl)cc1F ZINC000150818451 495644683 /nfs/dbraw/zinc/64/46/83/495644683.db2.gz RSOIPLDDVJSZRJ-AWEZNQCLSA-N 2 0 353.869 3.225 20 0 FGADRP Cc1ccc(OC[C@H](O)C[NH2+]C[C@@H]2CCCN(C)[C@@H]2c2cccs2)cc1 ZINC000568858008 505795011 /nfs/dbraw/zinc/79/50/11/505795011.db2.gz YREKXBIURKFRAE-UEXGIBASSA-N 2 0 374.550 3.469 20 0 FGADRP CC(C)[NH+](CCCNC(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)C(C)C ZINC000182683688 495663545 /nfs/dbraw/zinc/66/35/45/495663545.db2.gz PZGZFRWAUUOHOG-RBUKOAKNSA-N 2 0 366.594 3.448 20 0 FGADRP CCc1nc(C)c([C@@H](C)[NH2+]Cc2ccnc(N3CC[NH+](C)CC3)c2)s1 ZINC000159126389 495665800 /nfs/dbraw/zinc/66/58/00/495665800.db2.gz MFEVJVCVIRRCGC-CQSZACIVSA-N 2 0 359.543 3.012 20 0 FGADRP C[C@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)c1cc2ccccc2o1 ZINC000159206895 495683443 /nfs/dbraw/zinc/68/34/43/495683443.db2.gz NGWNGEDIKLNLHX-INIZCTEOSA-N 2 0 350.466 3.430 20 0 FGADRP C[C@@H]([NH2+]C[C@H](O)COc1cccc2[nH]ccc21)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185751400 495709783 /nfs/dbraw/zinc/70/97/83/495709783.db2.gz PWGWUPIOVBYTFS-LMMKCTJWSA-N 2 0 371.525 3.150 20 0 FGADRP C[C@H](C[NH+]1CCCCC1)NC(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000173858570 495722123 /nfs/dbraw/zinc/72/21/23/495722123.db2.gz GXPIOQBGIPUPAH-TZIWHRDSSA-N 2 0 372.557 3.024 20 0 FGADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)CC(=O)N(C)Cc2cccc(Cl)c2)C1 ZINC000151096086 495737069 /nfs/dbraw/zinc/73/70/69/495737069.db2.gz BZZWEQSMSGWWDU-FUHWJXTLSA-N 2 0 365.949 3.399 20 0 FGADRP Cc1ccc(NC(=O)NC[C@@H]2CCC[N@H+](CCCn3ccnc3)C2)cc1 ZINC000182888907 495743367 /nfs/dbraw/zinc/74/33/67/495743367.db2.gz VELWLGGVWKWIDW-SFHVURJKSA-N 2 0 355.486 3.115 20 0 FGADRP Cc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(N3CC[NH+](C)CC3)nc1)[C@@H](C)C2 ZINC000180061089 495841465 /nfs/dbraw/zinc/84/14/65/495841465.db2.gz AQWRFUZZUNHPAL-JTSKRJEESA-N 2 0 350.510 3.165 20 0 FGADRP COC1CCC([NH2+]CCCC[NH+]2CCN(c3cccc(C)c3)CC2)CC1 ZINC000183134139 495847495 /nfs/dbraw/zinc/84/74/95/495847495.db2.gz MACCXHMZPOMULT-UHFFFAOYSA-N 2 0 359.558 3.444 20 0 FGADRP c1ccc(C[N@H+]2C[C@H]3CCC[C@H]([NH2+]CCCOC4CCOCC4)[C@@H]3C2)cc1 ZINC000183153009 495857793 /nfs/dbraw/zinc/85/77/93/495857793.db2.gz WMLGQKNWNRYRHO-MZYLBHOOSA-N 2 0 372.553 3.462 20 0 FGADRP C[C@@H](C[NH+]1CCCCCC1)NC(=O)N(CC[NH+](C)C)Cc1cccs1 ZINC000186117187 495862090 /nfs/dbraw/zinc/86/20/90/495862090.db2.gz IZCNQNVRFQVNKP-KRWDZBQOSA-N 2 0 366.575 3.086 20 0 FGADRP C[C@@H](C[NH+]1CCCCCC1)NC(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000186118163 495862540 /nfs/dbraw/zinc/86/25/40/495862540.db2.gz MPBGAGCMAWYGMX-SFHVURJKSA-N 2 0 352.567 3.014 20 0 FGADRP Cc1ccccc1[C@H]([NH3+])C(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000577865028 505808415 /nfs/dbraw/zinc/80/84/15/505808415.db2.gz CQQIOTRLGDGPEP-UWJYYQICSA-N 2 0 351.494 3.337 20 0 FGADRP Cc1ccc2c(c1)[C@H]([NH2+]Cc1ccnc(N3CC[NH+](C)CC3)c1)[C@@H](C)C2 ZINC000180138726 495875398 /nfs/dbraw/zinc/87/53/98/495875398.db2.gz HTOJBITWWCJNHW-HTAPYJJXSA-N 2 0 350.510 3.165 20 0 FGADRP C[C@H]([NH2+]C1(CNC(=O)N(C)CCC[NH+](C)C)CCCC1)c1ccccc1 ZINC000186200332 495894714 /nfs/dbraw/zinc/89/47/14/495894714.db2.gz RVCDNAZSYGIZCQ-SFHVURJKSA-N 2 0 360.546 3.243 20 0 FGADRP COC(=O)COc1ccccc1[C@H](C)[NH2+]Cc1cccc(C[NH+](C)C)c1 ZINC000183326847 495932732 /nfs/dbraw/zinc/93/27/32/495932732.db2.gz IUBCJZWAFRFRKR-INIZCTEOSA-N 2 0 356.466 3.151 20 0 FGADRP C[NH+](C)[C@@H](CNC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1)c1cccs1 ZINC000171677884 495986187 /nfs/dbraw/zinc/98/61/87/495986187.db2.gz FKTJDEANTFQQLR-IRXDYDNUSA-N 2 0 364.559 3.011 20 0 FGADRP [NH3+]C[C@H](C(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)c1ccccc1 ZINC000571793827 505816561 /nfs/dbraw/zinc/81/65/61/505816561.db2.gz DIRRTSTVGABBEE-ICSRJNTNSA-N 2 0 371.912 3.336 20 0 FGADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H]2CCc3cc(Br)ccc32)CC1 ZINC000155585536 496002963 /nfs/dbraw/zinc/00/29/63/496002963.db2.gz QIVSPIYZSNIRIT-KSSFIOAISA-N 2 0 366.347 3.052 20 0 FGADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H](C)c2ccccc2OC(F)(F)F)CC1 ZINC000155587242 496004641 /nfs/dbraw/zinc/00/46/41/496004641.db2.gz SMTJVSNPYBUXPK-LSDHHAIUSA-N 2 0 359.436 3.262 20 0 FGADRP Cc1nn(C)c(C)c1CCC[NH2+][C@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000183485492 496005683 /nfs/dbraw/zinc/00/56/83/496005683.db2.gz YJZQRJLHOVJEJH-MRXNPFEDSA-N 2 0 358.530 3.261 20 0 FGADRP C[C@@H]1C[NH+](CC2CC[NH+](CCc3ccc(F)c(F)c3)CC2)C[C@@H](C)O1 ZINC000152022683 496024912 /nfs/dbraw/zinc/02/49/12/496024912.db2.gz UYLVNXBWKHSJKS-HZPDHXFCSA-N 2 0 352.469 3.329 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)C1CC[NH+](C(C)C)CC1)Cc1ccccc1 ZINC000174601555 496027670 /nfs/dbraw/zinc/02/76/70/496027670.db2.gz OKCPRBOPBUWTRE-NRFANRHFSA-N 2 0 359.558 3.176 20 0 FGADRP C[C@@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)c1ccccc1Cl ZINC000177353470 496028824 /nfs/dbraw/zinc/02/88/24/496028824.db2.gz XQNRKJQCERAGAC-OAHLLOKOSA-N 2 0 359.901 3.482 20 0 FGADRP CCC[NH+]1CCC(C[NH2+]C[C@@H](O)COc2ccccc2C(F)(F)F)CC1 ZINC000574631344 505819703 /nfs/dbraw/zinc/81/97/03/505819703.db2.gz GIMJZKCWZWEAAM-MRXNPFEDSA-N 2 0 374.447 3.157 20 0 FGADRP CC[C@H]([NH2+][C@H](C)CCN1CC[NH+](C)CC1)c1ccccc1OC(F)F ZINC000186587825 496059482 /nfs/dbraw/zinc/05/94/82/496059482.db2.gz AFZCMKQIBNBPTB-WBVHZDCISA-N 2 0 355.473 3.355 20 0 FGADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@H]1CCSc2ccc(Cl)cc21 ZINC000186592832 496061506 /nfs/dbraw/zinc/06/15/06/496061506.db2.gz TUQVUBIMONPPFJ-PBHICJAKSA-N 2 0 353.963 3.493 20 0 FGADRP C[C@@H]([NH2+][C@@H](C)CCN1CC[NH+](C)CC1)c1cccc(-c2ccncc2)c1 ZINC000186597050 496064503 /nfs/dbraw/zinc/06/45/03/496064503.db2.gz NVIXOAONPMRLSF-RBUKOAKNSA-N 2 0 352.526 3.425 20 0 FGADRP C[C@@H]([NH2+][C@@H](C)CCN1CC[NH+](C)CC1)c1nc(-c2ccccc2)cs1 ZINC000186602918 496068743 /nfs/dbraw/zinc/06/87/43/496068743.db2.gz CYKWEBLFONFEEF-DLBZAZTESA-N 2 0 358.555 3.487 20 0 FGADRP C[C@H]([NH2+]Cc1ccccc1-n1ccnc1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000152242423 496092024 /nfs/dbraw/zinc/09/20/24/496092024.db2.gz OWMQAHUAFJAGSG-AWEZNQCLSA-N 2 0 373.453 3.266 20 0 FGADRP Fc1cccc(F)c1-n1ccc(CN2CC[C@H](Oc3ccncc3)C2)n1 ZINC000155933006 496110975 /nfs/dbraw/zinc/11/09/75/496110975.db2.gz YPEKYSGYWBKOFF-INIZCTEOSA-N 2 0 356.376 3.199 20 0 FGADRP C[C@H]([NH2+]C(C)(C)CNC(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccccc1 ZINC000174890687 496151628 /nfs/dbraw/zinc/15/16/28/496151628.db2.gz CYEDSAQDAFPJQG-ZIFCJYIRSA-N 2 0 360.546 3.240 20 0 FGADRP C[C@H](CNC(=O)N1CCC(CCC[NH+](C)C)CC1)[N@H+](C)Cc1ccccc1 ZINC000161958899 496270702 /nfs/dbraw/zinc/27/07/02/496270702.db2.gz DFMOHMURHJYFRJ-LJQANCHMSA-N 2 0 374.573 3.270 20 0 FGADRP C[C@@H]([NH2+]C1CCN(CCc2ccncc2)CC1)c1ccc([S@](C)=O)cc1 ZINC000152862814 496278268 /nfs/dbraw/zinc/27/82/68/496278268.db2.gz ZODOVBQEWRTLEQ-WGDIFIGCSA-N 2 0 371.550 3.177 20 0 FGADRP C[C@@H]1CCC[N@@H+]1C1CCN(C(=O)[C@@H]2CCC[NH+]2Cc2ccccc2)CC1 ZINC000152881357 496284453 /nfs/dbraw/zinc/28/44/53/496284453.db2.gz APFUNKPAYDRSJE-NQIIRXRSSA-N 2 0 355.526 3.126 20 0 FGADRP CC[C@@H](C(=O)N1CCC(C[NH+](C)C(C)C)CC1)[N@H+](C)Cc1ccccc1 ZINC000569055731 505839683 /nfs/dbraw/zinc/83/96/83/505839683.db2.gz PNOKCUPFKHIFEL-NRFANRHFSA-N 2 0 359.558 3.476 20 0 FGADRP CSc1nnc(CCC[NH2+]Cc2cnc3ccc(C)cn23)n1CC(C)C ZINC000156770672 496330253 /nfs/dbraw/zinc/33/02/53/496330253.db2.gz DEDGJZURJCRHJP-UHFFFAOYSA-N 2 0 372.542 3.335 20 0 FGADRP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](CCCCCOc2ccccc2)CC1 ZINC000187196786 496334496 /nfs/dbraw/zinc/33/44/96/496334496.db2.gz ZTTNICVHWJVQBI-OAQYLSRUSA-N 2 0 359.558 3.338 20 0 FGADRP C[C@H](CCNC(=O)NC1CC[NH+](C(C)(C)C)CC1)[N@H+](C)Cc1ccccc1 ZINC000175348280 496349659 /nfs/dbraw/zinc/34/96/59/496349659.db2.gz UUAGBPMKDQZBNA-GOSISDBHSA-N 2 0 374.573 3.459 20 0 FGADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+][C@@H]1CCN(c2ccccc2Br)C1 ZINC000162471587 496358434 /nfs/dbraw/zinc/35/84/34/496358434.db2.gz BPKYNMPBLQHKHR-KCYZZUKISA-N 2 0 366.347 3.346 20 0 FGADRP C[C@@H]1C[C@H]([N@H+](C)C[C@H](O)COc2ccccc2)CCN1Cc1ccccc1 ZINC000156976012 496377731 /nfs/dbraw/zinc/37/77/31/496377731.db2.gz WZMACBRFRBGGQH-FCEUIQTBSA-N 2 0 368.521 3.411 20 0 FGADRP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000157250854 496437817 /nfs/dbraw/zinc/43/78/17/496437817.db2.gz OVMLCXKTQITJLO-OAQYLSRUSA-N 2 0 373.541 3.404 20 0 FGADRP O=C(c1ccco1)N1CCC([NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000162944311 496438354 /nfs/dbraw/zinc/43/83/54/496438354.db2.gz LLVYILZKXJOMCP-UHFFFAOYSA-N 2 0 367.493 3.270 20 0 FGADRP C[C@H]([NH2+]C[C@H]1CCN(CC(F)(F)F)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000163126777 496468680 /nfs/dbraw/zinc/46/86/80/496468680.db2.gz AUDFKFDGRFFGOZ-JKSUJKDBSA-N 2 0 373.463 3.162 20 0 FGADRP CCC(CC)(C[NH3+])C(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000571925418 505846881 /nfs/dbraw/zinc/84/68/81/505846881.db2.gz WTMWLFQFOQKPSF-QGZVFWFLSA-N 2 0 351.922 3.358 20 0 FGADRP CC[NH+](CC)Cc1ccccc1C[NH2+]CCC(=O)Nc1ccc(C)cn1 ZINC000574750584 505847416 /nfs/dbraw/zinc/84/74/16/505847416.db2.gz YXRJYUKSVJQJLO-UHFFFAOYSA-N 2 0 354.498 3.350 20 0 FGADRP CC(C)(C)NC(=O)C[NH+]1CCC(C[NH2+][C@@H]2CCc3cc(F)ccc32)CC1 ZINC000163491996 496522428 /nfs/dbraw/zinc/52/24/28/496522428.db2.gz OLFMMICUUBCKQU-LJQANCHMSA-N 2 0 361.505 3.029 20 0 FGADRP Cc1ccc(C[N@H+]2CC[C@H](CN(C)C(=O)c3ccc4c[nH+]cn4c3)C2)s1 ZINC000580838489 505850080 /nfs/dbraw/zinc/85/00/80/505850080.db2.gz AVPPFUKWXHZHIO-MRXNPFEDSA-N 2 0 368.506 3.298 20 0 FGADRP COCC[N@H+](C)CCOc1cccc(C[NH2+][C@@H]2CC(C)(C)OC2(C)C)c1 ZINC000163646114 496541666 /nfs/dbraw/zinc/54/16/66/496541666.db2.gz KVHCTTJCJCDNRZ-LJQANCHMSA-N 2 0 364.530 3.079 20 0 FGADRP C[C@H]([NH2+]CCCC[N@@H+]1CCCC[C@@H]1C)c1ccc(S(C)(=O)=O)cc1 ZINC000157855788 496570834 /nfs/dbraw/zinc/57/08/34/496570834.db2.gz FVNMYRJWFJZMAX-IRXDYDNUSA-N 2 0 352.544 3.395 20 0 FGADRP CC(C)[NH+]1CCC([NH2+]CCCC[NH+]2CCN(Cc3ccccc3)CC2)CC1 ZINC000163936338 496571726 /nfs/dbraw/zinc/57/17/26/496571726.db2.gz MIRKCMNOFBLPPS-UHFFFAOYSA-N 3 0 372.601 3.047 20 0 FGADRP COCOc1ccc(OC)cc1C[NH2+]Cc1ccc(-n2ccnc2)c(F)c1 ZINC000164167051 496590857 /nfs/dbraw/zinc/59/08/57/496590857.db2.gz MDIAJESBTSWONL-UHFFFAOYSA-N 2 0 371.412 3.293 20 0 FGADRP [NH3+][C@H](CCC(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1)c1ccccc1 ZINC000164535897 496618022 /nfs/dbraw/zinc/61/80/22/496618022.db2.gz DJHQLDCNEBCCMO-OAQYLSRUSA-N 2 0 369.484 3.387 20 0 FGADRP C[C@H]([NH2+]CCCCC[NH+]1CCCCC1)c1ccc(S(C)(=O)=O)cc1 ZINC000164650097 496625740 /nfs/dbraw/zinc/62/57/40/496625740.db2.gz AMOGVSOXWQIYBN-KRWDZBQOSA-N 2 0 352.544 3.397 20 0 FGADRP C[C@@H]([NH2+]CCC(=O)Nc1ccccc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000164946710 496640902 /nfs/dbraw/zinc/64/09/02/496640902.db2.gz KSHDMUNSYLPNJO-QGZVFWFLSA-N 2 0 355.482 3.306 20 0 FGADRP CC[NH+](CC)CCCC1CC[NH+](Cc2cc(-c3cnn(C)c3)no2)CC1 ZINC000185059546 496641457 /nfs/dbraw/zinc/64/14/57/496641457.db2.gz GLXRSZQUORRSDT-UHFFFAOYSA-N 2 0 359.518 3.409 20 0 FGADRP C[C@@H]([NH2+]CCCC[NH+]1CCC(C)CC1)c1ccc(NS(C)(=O)=O)cc1 ZINC000158179558 496643916 /nfs/dbraw/zinc/64/39/16/496643916.db2.gz OWPGFBRKYXPUCR-QGZVFWFLSA-N 2 0 367.559 3.221 20 0 FGADRP COc1cc(Cl)c(C)cc1NC(=O)CC[NH2+][C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000158400881 496693038 /nfs/dbraw/zinc/69/30/38/496693038.db2.gz NZYDGJXZWLMFEH-UONOGXRCSA-N 2 0 365.905 3.200 20 0 FGADRP C[C@H]1CCc2c(F)cccc2[C@@H]1[NH2+]Cc1cccnc1N1CC[NH+](C)CC1 ZINC000158436236 496701529 /nfs/dbraw/zinc/70/15/29/496701529.db2.gz ISUYWYZAQVEYIN-HRAATJIYSA-N 2 0 368.500 3.386 20 0 FGADRP C[C@@H](NC(C)(C)C[NH2+][C@H](C)c1ccc(-n2cnnn2)cc1)c1ccccc1 ZINC000167874697 496707314 /nfs/dbraw/zinc/70/73/14/496707314.db2.gz IOPFFDXOXYKHRY-IAGOWNOFSA-N 2 0 364.497 3.442 20 0 FGADRP CN(C)[C@@H](C(=O)N1CC(C)(C)[C@H]1c1nccn1C)c1ccc(Cl)cc1 ZINC000569138478 505860978 /nfs/dbraw/zinc/86/09/78/505860978.db2.gz WFSXNWOFPVMYFX-HZPDHXFCSA-N 2 0 360.889 3.286 20 0 FGADRP CC[C@@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)c1ccc(OC)cc1 ZINC000158472991 496709010 /nfs/dbraw/zinc/70/90/10/496709010.db2.gz SFFKAQHSIFWMRT-HXUWFJFHSA-N 2 0 354.498 3.083 20 0 FGADRP CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)[C@H]1CCCCCC[C@@H]1[NH3+] ZINC000574813938 505861322 /nfs/dbraw/zinc/86/13/22/505861322.db2.gz RNLYHGHEGDAFOV-SFTDATJTSA-N 2 0 372.557 3.444 20 0 FGADRP CC1(C(=O)NCCC[NH+]2CCCCC2)CC[NH+](Cc2ccccc2)CC1 ZINC000188222159 496718848 /nfs/dbraw/zinc/71/88/48/496718848.db2.gz WBVRRKPTIBYCKP-UHFFFAOYSA-N 2 0 357.542 3.281 20 0 FGADRP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1ccc(F)cc1N(C)C ZINC000182260840 496721957 /nfs/dbraw/zinc/72/19/57/496721957.db2.gz PAFQSMGGCYFXGK-UZLBHIALSA-N 2 0 371.500 3.309 20 0 FGADRP COc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000182272197 496724402 /nfs/dbraw/zinc/72/44/02/496724402.db2.gz RYJLHEYKAXBVEG-NZQKXSOJSA-N 2 0 366.505 3.429 20 0 FGADRP C[C@H]1C[NH+](CC2CC[NH+](CCCOCc3ccccc3)CC2)C[C@H](C)O1 ZINC000182315404 496729364 /nfs/dbraw/zinc/72/93/64/496729364.db2.gz JMAGTROZTJCCEY-PMACEKPBSA-N 2 0 360.542 3.415 20 0 FGADRP O[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]Cc2ccc(OCC3CC3)cc2)CC1 ZINC000191357587 496737087 /nfs/dbraw/zinc/73/70/87/496737087.db2.gz YAJOTFGOHSRSRH-YADHBBJMSA-N 2 0 358.526 3.333 20 0 FGADRP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)C1 ZINC000246997804 496747330 /nfs/dbraw/zinc/74/73/30/496747330.db2.gz KNQGLJBNYJDWHI-GVDBMIGSSA-N 2 0 364.559 3.057 20 0 FGADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000273241820 496750136 /nfs/dbraw/zinc/75/01/36/496750136.db2.gz QIAOVNMWZWCOLE-HOTGVXAUSA-N 2 0 351.560 3.243 20 0 FGADRP C[C@H](C[NH2+][C@@H](C)[C@H](C)c1nc2ccccc2s1)CN1CC[NH+](C)CC1 ZINC000247055109 496765486 /nfs/dbraw/zinc/76/54/86/496765486.db2.gz PECZFKSUVWIKOU-IKGGRYGDSA-N 2 0 360.571 3.261 20 0 FGADRP O[C@H](COc1ccc(Cl)cc1)C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000247061319 496766451 /nfs/dbraw/zinc/76/64/51/496766451.db2.gz ZTLADUYNOBCCCD-QSFXBCCZSA-N 2 0 364.917 3.028 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CC[NH+](Cc3ccccc3)[C@@H]2C)C[C@@H]1C ZINC000574835230 505864663 /nfs/dbraw/zinc/86/46/63/505864663.db2.gz BLCFLOULYFEXIL-IZZBFERCSA-N 2 0 372.557 3.164 20 0 FGADRP COc1cccc2c1CCC[C@H]2[NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000194957065 496773684 /nfs/dbraw/zinc/77/36/84/496773684.db2.gz NMFIGQMFXOCXHU-SIKLNZKXSA-N 2 0 366.505 3.429 20 0 FGADRP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(NC(=O)c3ccncc3)cc2)[C@@H](C)C1 ZINC000268777928 496782621 /nfs/dbraw/zinc/78/26/21/496782621.db2.gz BBBMTLRUHNLBAI-OXJNMPFZSA-N 2 0 352.482 3.154 20 0 FGADRP C[C@@H]([NH2+]Cc1ccc(CN2CC[NH+](C)CC2)cc1)c1ccc2c(c1)COC2 ZINC000268784694 496785322 /nfs/dbraw/zinc/78/53/22/496785322.db2.gz JVQQPICEOCVKNY-GOSISDBHSA-N 2 0 365.521 3.315 20 0 FGADRP CS(=O)(=O)c1cccc(Cl)c1C[NH2+]CCCCNc1ccccn1 ZINC000273370830 496786304 /nfs/dbraw/zinc/78/63/04/496786304.db2.gz CSMSDCCWSKFABH-UHFFFAOYSA-N 2 0 367.902 3.120 20 0 FGADRP C[C@@H]1C[C@@H](NCC2([NH+]3CCCC3)CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC000268921532 496823801 /nfs/dbraw/zinc/82/38/01/496823801.db2.gz WVLSDFYGZLUFIK-IRLDBZIGSA-N 2 0 371.569 3.274 20 0 FGADRP Cc1cccc(C[C@@H](CO)[NH2+][C@@H](C)c2ccc(OCC[NH+](C)C)cc2)c1 ZINC000191613600 496832915 /nfs/dbraw/zinc/83/29/15/496832915.db2.gz OXQKIYZHSANWIA-RXVVDRJESA-N 2 0 356.510 3.190 20 0 FGADRP C[C@@H]1C[C@@H](NC2CC[NH+](C[C@@H]3CCOC3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000268976388 496840628 /nfs/dbraw/zinc/84/06/28/496840628.db2.gz BSUNOSSQXKVJCB-NWSQWKLXSA-N 2 0 371.569 3.130 20 0 FGADRP C[C@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1cccc(OCc2ccccc2)c1 ZINC000269074905 496865835 /nfs/dbraw/zinc/86/58/35/496865835.db2.gz YAEGXXWSTGYXEO-SFHVURJKSA-N 2 0 354.494 3.373 20 0 FGADRP C[NH+](C)Cc1ccc(C(=O)NCC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000195488278 496937843 /nfs/dbraw/zinc/93/78/43/496937843.db2.gz KMNRLRGLPNPUEC-UHFFFAOYSA-N 2 0 365.521 3.390 20 0 FGADRP C[C@H]1CN(Cc2ccccn2)CC[C@H]1[NH2+]CCC[N@H+](C)Cc1ccccc1 ZINC000248040035 496946133 /nfs/dbraw/zinc/94/61/33/496946133.db2.gz SMLKGKFZYLOLQR-NZQKXSOJSA-N 2 0 366.553 3.404 20 0 FGADRP CCc1nc(CN2CCC(C[NH2+][C@@H]3C[C@H](C)[N@H+](C)C[C@H]3C)CC2)cs1 ZINC000248127645 496959096 /nfs/dbraw/zinc/95/90/96/496959096.db2.gz OCICMPDKYJMKIE-JTDSTZFVSA-N 2 0 364.603 3.236 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C[C@H]([NH3+])c1ccccc1 ZINC000269511855 496962080 /nfs/dbraw/zinc/96/20/80/496962080.db2.gz OVLGTQQWVSRYGJ-QMMLZNLJSA-N 2 0 351.494 3.103 20 0 FGADRP CCS[C@@H]1CC[C@H]([N@H+](C)CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000248396922 496994731 /nfs/dbraw/zinc/99/47/31/496994731.db2.gz KUUZBQZJPCHVFG-IPMKNSEASA-N 2 0 363.571 3.012 20 0 FGADRP C[NH+](C)[C@@H](CNC(=O)C[N@H+](C)[C@H]1CCc2ccccc21)c1ccccc1 ZINC000248399219 496995857 /nfs/dbraw/zinc/99/58/57/496995857.db2.gz ONKVZQHUFNCKCV-SFTDATJTSA-N 2 0 351.494 3.025 20 0 FGADRP CNc1cc(N2CCC[C@H]2C[NH2+][C@H]2CCCOc3cc(F)ccc32)ncn1 ZINC000248464970 497021564 /nfs/dbraw/zinc/02/15/64/497021564.db2.gz ZSRRNAPTVURTEE-RDJZCZTQSA-N 2 0 371.460 3.130 20 0 FGADRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)C1[NH2+]C[C@@H]1CC2(CCC2)C(=O)O1 ZINC000192183003 497025830 /nfs/dbraw/zinc/02/58/30/497025830.db2.gz HHGXSKMHFJESJP-ZCQXEVHSSA-N 2 0 356.510 3.218 20 0 FGADRP C[N@@H+]1CCC[C@H]2C[NH+](CCOc3cccc(Br)c3)CC[C@H]21 ZINC000227343795 497087663 /nfs/dbraw/zinc/08/76/63/497087663.db2.gz CUYIHLDVASZGRX-WMLDXEAASA-N 2 0 353.304 3.244 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)N(C)CC[C@@H]1CCCC[NH+]1C ZINC000248789073 497105096 /nfs/dbraw/zinc/10/50/96/497105096.db2.gz IOGTYAVMYRGKPC-HLAWJBBLSA-N 2 0 372.557 3.023 20 0 FGADRP C[C@@H]1C[C@@H](O)C[C@H](C)[NH+]1Cc1ccccc1C[N@H+]1[C@H](C)C[C@@H](O)C[C@@H]1C ZINC000248838590 497115505 /nfs/dbraw/zinc/11/55/05/497115505.db2.gz ORFRPZRAZDJICU-VKFKGBHESA-N 2 0 360.542 3.154 20 0 FGADRP COC(=O)C1CCC([NH2+]Cc2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000192440618 497116000 /nfs/dbraw/zinc/11/60/00/497116000.db2.gz LUWCILSEOHNNMO-JOIKAWEESA-N 2 0 374.525 3.117 20 0 FGADRP CC1CC[NH+](Cc2ccccc2CNC(=O)CCC2CC[NH2+]CC2)CC1 ZINC000236629695 497122985 /nfs/dbraw/zinc/12/29/85/497122985.db2.gz KFOGAYLMXBZMBO-UHFFFAOYSA-N 2 0 357.542 3.315 20 0 FGADRP CC1CC[NH+](Cc2cccc(CNC(=O)c3ccc(C[NH3+])cc3)c2)CC1 ZINC000236639719 497125045 /nfs/dbraw/zinc/12/50/45/497125045.db2.gz CVILDAJMOYEGEV-UHFFFAOYSA-N 2 0 351.494 3.307 20 0 FGADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)[C@@H](C)[C@@H]([NH3+])c1ccccc1 ZINC000236655322 497127359 /nfs/dbraw/zinc/12/73/59/497127359.db2.gz FTAQLOHHQOOXHO-LAUBAEHRSA-N 2 0 353.510 3.479 20 0 FGADRP CC1CC[NH+]([C@@H](CNC(=O)c2ccc(C[NH3+])cc2)c2cccs2)CC1 ZINC000236653859 497127715 /nfs/dbraw/zinc/12/77/15/497127715.db2.gz LJKDNQNCJLWAMC-SFHVURJKSA-N 2 0 357.523 3.410 20 0 FGADRP CCN(C)c1ccc(C[NH+]2CCC(CC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)cn1 ZINC000248916182 497134200 /nfs/dbraw/zinc/13/42/00/497134200.db2.gz ZUGNKOYLJRIBTA-OALUTQOASA-N 2 0 374.573 3.249 20 0 FGADRP COc1ccc(C[NH2+]CC2CC[NH+](C3CC3)CC2)c(Br)c1O ZINC000278494483 497134317 /nfs/dbraw/zinc/13/43/17/497134317.db2.gz LZKQAPVWRKFAFA-UHFFFAOYSA-N 2 0 369.303 3.127 20 0 FGADRP C[NH+](C)CCn1ccc2ccc(NC(=O)[C@@](C)([NH3+])c3ccccc3)cc21 ZINC000192535982 497142721 /nfs/dbraw/zinc/14/27/21/497142721.db2.gz BKAJVYKOXYDJNR-NRFANRHFSA-N 2 0 350.466 3.016 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cccc(OC)c1 ZINC000236875104 497161496 /nfs/dbraw/zinc/16/14/96/497161496.db2.gz MCSWUSLOBFIMEQ-ZJVRTDGDSA-N 2 0 373.541 3.115 20 0 FGADRP CC(C)(C)c1ccc([C@@H]2CCCN2C(=O)CN2CC[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000581011796 505890471 /nfs/dbraw/zinc/89/04/71/505890471.db2.gz KCHWZBSONUSMBI-ZJOUEHCJSA-N 2 0 369.553 3.189 20 0 FGADRP C[NH2+]CCCC(=O)NC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000237152864 497198143 /nfs/dbraw/zinc/19/81/43/497198143.db2.gz BOAGZDOHUFXGJU-UHFFFAOYSA-N 2 0 358.313 3.074 20 0 FGADRP C[N@H+](Cc1ccccc1CNC(=O)[C@]1(C)CCC[NH2+]C1)C1CCCCC1 ZINC000237152978 497198442 /nfs/dbraw/zinc/19/84/42/497198442.db2.gz AZCZKTXEUUWMFX-JOCHJYFZSA-N 2 0 357.542 3.457 20 0 FGADRP CC1(C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)CC[NH+](Cc2ccccc2)CC1 ZINC000274934102 497201383 /nfs/dbraw/zinc/20/13/83/497201383.db2.gz MCZRYPFOZVCAAW-NRFANRHFSA-N 2 0 369.553 3.376 20 0 FGADRP CCc1nc2c(s1)[C@H]([N@H+](C)CCCN1CC[NH+](C(C)C)CC1)CCC2 ZINC000192773497 497211054 /nfs/dbraw/zinc/21/10/54/497211054.db2.gz LCBKMXQDXWZPSA-GOSISDBHSA-N 2 0 364.603 3.431 20 0 FGADRP C[C@@H](CC(=O)Nc1ccccc1NC1CC[NH+](C)CC1)C1CC[NH2+]CC1 ZINC000237346985 497222812 /nfs/dbraw/zinc/22/28/12/497222812.db2.gz YRQMACKJYZZSOF-INIZCTEOSA-N 2 0 358.530 3.157 20 0 FGADRP C[C@@H](CC(=O)N1CCCCCC1)[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000192927543 497248233 /nfs/dbraw/zinc/24/82/33/497248233.db2.gz RNQKNHWVPLQKAX-FPOVZHCZSA-N 2 0 357.542 3.279 20 0 FGADRP c1ccc(C[N@H+]2CC[C@@H](C[NH2+]C3CCN(Cc4ccccn4)CC3)C2)cc1 ZINC000192934896 497251352 /nfs/dbraw/zinc/25/13/52/497251352.db2.gz CSOPDWUEZFGURL-NRFANRHFSA-N 2 0 364.537 3.158 20 0 FGADRP C[C@H](CC(=O)NCC1CC[NH+](Cc2cccs2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000237613937 497263252 /nfs/dbraw/zinc/26/32/52/497263252.db2.gz XKODLLYDWXIIHS-SJLPKXTDSA-N 2 0 363.571 3.102 20 0 FGADRP C[C@H](CC(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1)C1CC[NH2+]CC1 ZINC000237657769 497270761 /nfs/dbraw/zinc/27/07/61/497270761.db2.gz ITPHAGZPJNCUSG-MDYRTPRTSA-N 2 0 363.571 3.273 20 0 FGADRP O=C(NCC[NH+]1CCCC1)c1ccc(C[NH2+][C@@H]2CCCc3occc32)cc1 ZINC000193001394 497271362 /nfs/dbraw/zinc/27/13/62/497271362.db2.gz AMTHLXYWZDTDIP-HXUWFJFHSA-N 2 0 367.493 3.272 20 0 FGADRP [NH3+][C@@H](Cc1ccccc1)C(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000237805580 497294918 /nfs/dbraw/zinc/29/49/18/497294918.db2.gz BXZOOBUVMZUBID-PMACEKPBSA-N 2 0 371.912 3.163 20 0 FGADRP O=C(NCc1ccc(C[NH+]2CCCCCC2)cc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000238055668 497334184 /nfs/dbraw/zinc/33/41/84/497334184.db2.gz HXKPIISLJIVEAL-FQEVSTJZSA-N 2 0 355.526 3.069 20 0 FGADRP C[NH+](C)CCOc1ccc(C[NH2+]Cc2ccnn2-c2ccccc2)cc1 ZINC000279109925 497336432 /nfs/dbraw/zinc/33/64/32/497336432.db2.gz KFTZPMCALHNVTQ-UHFFFAOYSA-N 2 0 350.466 3.103 20 0 FGADRP CC[NH+]1CCN(Cc2ccccc2C[NH2+][C@@H](C)c2cnccc2C)CC1 ZINC000271454183 497353179 /nfs/dbraw/zinc/35/31/79/497353179.db2.gz OPYHQSUVJOVCDF-IBGZPJMESA-N 2 0 352.526 3.378 20 0 FGADRP CCN(CCC[NH+]1CCCC1)C(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000190123894 497366618 /nfs/dbraw/zinc/36/66/18/497366618.db2.gz MHYIIDAISCXULW-NRFANRHFSA-N 2 0 372.557 3.341 20 0 FGADRP C[C@H](C(=O)NC1CC[NH+](CCc2ccccc2)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000245200841 497376043 /nfs/dbraw/zinc/37/60/43/497376043.db2.gz DESWCSMRNKIGFZ-GUDVDZBRSA-N 2 0 357.542 3.071 20 0 FGADRP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)NCCCC[N@@H+]2CCCC[C@H]2C)C1 ZINC000255903920 497377699 /nfs/dbraw/zinc/37/76/99/497377699.db2.gz YMWDPTMIFLSSOI-VAMGGRTRSA-N 2 0 366.594 3.308 20 0 FGADRP CCN(CCC[NH+]1CCCC1)C(=O)N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000190238013 497409862 /nfs/dbraw/zinc/40/98/62/497409862.db2.gz PPMKYOQMAFYSJD-OALUTQOASA-N 2 0 364.578 3.157 20 0 FGADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H](C)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000266777044 497417484 /nfs/dbraw/zinc/41/74/84/497417484.db2.gz BZZAQYRYXXOPLQ-IRXDYDNUSA-N 2 0 369.575 3.098 20 0 FGADRP COc1cc(CN2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)c(SC)cc1OC ZINC000261700191 497436023 /nfs/dbraw/zinc/43/60/23/497436023.db2.gz JCYBFEYPOUQOAF-DLBZAZTESA-N 2 0 358.507 3.352 20 0 FGADRP C[C@H]1C[C@@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)CC[N@@H+]1C ZINC000279553541 497470105 /nfs/dbraw/zinc/47/01/05/497470105.db2.gz XWAFIFGOOQMXCT-HHXCZETCSA-N 2 0 355.526 3.029 20 0 FGADRP C[NH2+]CCC1CC[NH+]([C@@H](C)C(=O)N[C@H](C)c2cc3ccccc3o2)CC1 ZINC000262019489 497493942 /nfs/dbraw/zinc/49/39/42/497493942.db2.gz XFIYOGLLBGARON-CVEARBPZSA-N 2 0 357.498 3.320 20 0 FGADRP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000245680573 497499704 /nfs/dbraw/zinc/49/97/04/497499704.db2.gz GKRMFKFRDVLNAP-LEWJYISDSA-N 2 0 372.557 3.339 20 0 FGADRP C[N@H+](CCOc1cc(F)cc(Br)c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000262120313 497512326 /nfs/dbraw/zinc/51/23/26/497512326.db2.gz LWHVBVNEZUVUEK-YIONKMFJSA-N 2 0 357.267 3.182 20 0 FGADRP CC(C)[NH2+]C1CCN(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000267312981 497523962 /nfs/dbraw/zinc/52/39/62/497523962.db2.gz CFADBXQOUBJCIP-NQIIRXRSSA-N 2 0 372.557 3.069 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1CCCNC(=O)NC[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000193932360 497524236 /nfs/dbraw/zinc/52/42/36/497524236.db2.gz QSOUGYXQNGIWSL-CTNGQTDRSA-N 2 0 372.557 3.072 20 0 FGADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@H](c1ccc(Br)s1)C1CC1 ZINC000190602983 497541105 /nfs/dbraw/zinc/54/11/05/497541105.db2.gz VSTSRJNJXNWRDC-LRDDRELGSA-N 2 0 372.376 3.187 20 0 FGADRP Cc1ccc(OC[C@H](O)C[NH2+]Cc2ccccc2C[NH+]2CCCC2)cc1 ZINC000578316174 505912905 /nfs/dbraw/zinc/91/29/05/505912905.db2.gz PUJGSPWVSYKWBT-OAQYLSRUSA-N 2 0 354.494 3.120 20 0 FGADRP Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)C[C@H]1CCCC[C@H]1[NH3+] ZINC000575062680 505913069 /nfs/dbraw/zinc/91/30/69/505913069.db2.gz YJZKPZXMVHTUMS-SJLPKXTDSA-N 2 0 361.555 3.390 20 0 FGADRP CCN1CC[C@H](NC(=O)[C@H]2CC[NH2+][C@@H](C)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000262363999 497545068 /nfs/dbraw/zinc/54/50/68/497545068.db2.gz JAEMOBAYGVXDDE-ZUXXIDCJSA-N 2 0 367.896 3.119 20 0 FGADRP C[C@@H]1C[N@@H+](CCC2CC[NH+](C[C@H](O)CC3CCCC3)CC2)C[C@H](C)O1 ZINC000190651606 497560329 /nfs/dbraw/zinc/56/03/29/497560329.db2.gz QLKUOURNUNAYQG-LVCYWYKZSA-N 2 0 352.563 3.139 20 0 FGADRP C[C@H](O)C[C@H]1CCC[N@@H+]1Cc1ccccc1C[NH+]1CCC[C@H]1C[C@H](C)O ZINC000245919548 497571495 /nfs/dbraw/zinc/57/14/95/497571495.db2.gz WQVSTJMVJXQRJO-YHDSQAASSA-N 2 0 360.542 3.157 20 0 FGADRP Cc1nn(C)c2ncc(C[NH2+][C@@H](C)[C@@H]3CC[N@H+](Cc4ccccc4)C3)cc12 ZINC000272232140 497572030 /nfs/dbraw/zinc/57/20/30/497572030.db2.gz URPGBWVNWFIPSJ-OXJNMPFZSA-N 2 0 363.509 3.277 20 0 FGADRP CCc1nc2ccccc2n1C1CCN(C(=O)[C@H](C)[NH+]2CC(C)C2)CC1 ZINC000569352996 505915570 /nfs/dbraw/zinc/91/55/70/505915570.db2.gz KBSJZZIYMTVJPP-INIZCTEOSA-N 2 0 354.498 3.102 20 0 FGADRP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)c1nc2ccc(Cl)cc2n1C ZINC000245942561 497579956 /nfs/dbraw/zinc/57/99/56/497579956.db2.gz BACAGMKTPCRLNG-HOCLYGCPSA-N 2 0 364.921 3.114 20 0 FGADRP c1cc(OCC[NH+]2CCCC2)ccc1CC[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000194134109 497583373 /nfs/dbraw/zinc/58/33/73/497583373.db2.gz PFYLFSQLDJZQCN-YPAWHYETSA-N 2 0 370.537 3.251 20 0 FGADRP C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)CC1 ZINC000262626374 497586713 /nfs/dbraw/zinc/58/67/13/497586713.db2.gz BVDUDOGCLOJXCP-FSSWDIPSSA-N 2 0 369.553 3.278 20 0 FGADRP C[C@H](C(=O)N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1)[C@H]([NH3+])c1ccccc1 ZINC000262648980 497590785 /nfs/dbraw/zinc/59/07/85/497590785.db2.gz QCMQMPGLPBZSNB-IPJJNNNSSA-N 2 0 365.521 3.446 20 0 FGADRP CC(C)[NH+]1CCC(O)(C[NH2+][C@H](C)Cc2ccc(Br)cc2)CC1 ZINC000276593082 497607974 /nfs/dbraw/zinc/60/79/74/497607974.db2.gz DTRBCLHCFMWBDU-OAHLLOKOSA-N 2 0 369.347 3.205 20 0 FGADRP C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)[C@@H]2CCCC[C@@]2(C)[NH3+])CC1 ZINC000262737739 497612512 /nfs/dbraw/zinc/61/25/12/497612512.db2.gz CHISMUQOCFWILC-RBBKRZOGSA-N 2 0 357.542 3.265 20 0 FGADRP COC(=O)N1CCC([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC000272384260 497614212 /nfs/dbraw/zinc/61/42/12/497614212.db2.gz FTQXQOVYDIKZFX-OWZKRDHZSA-N 2 0 357.498 3.002 20 0 FGADRP C[C@H](CCNC(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCCCC1 ZINC000194303695 497629265 /nfs/dbraw/zinc/62/92/65/497629265.db2.gz CTKZCFLBDUBYSO-CTNGQTDRSA-N 2 0 372.557 3.072 20 0 FGADRP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)c2ccc3c(c2)CC[NH2+]CC3)C1 ZINC000276728338 497637824 /nfs/dbraw/zinc/63/78/24/497637824.db2.gz YGCRMEGOEXLQDK-OALUTQOASA-N 2 0 369.553 3.101 20 0 FGADRP C[C@@H](NC(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1)C(C)(C)C[NH+](C)C ZINC000246159806 497642366 /nfs/dbraw/zinc/64/23/66/497642366.db2.gz DWANTWZCNXRCPY-GUDVDZBRSA-N 2 0 366.594 3.259 20 0 FGADRP C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000246166841 497644904 /nfs/dbraw/zinc/64/49/04/497644904.db2.gz FPBOYYHLSPHNNI-RBUKOAKNSA-N 2 0 364.578 3.157 20 0 FGADRP Cc1cccc(NC[C@@H]2CC[N@@H+]([C@H](C)C(=O)N[C@H]3CCCC[C@H]3C)C2)[nH+]1 ZINC000246205918 497660321 /nfs/dbraw/zinc/66/03/21/497660321.db2.gz YJULRJAQAYRRLK-YSHGAJCASA-N 2 0 358.530 3.207 20 0 FGADRP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCC(C(=O)NCc2ccc(F)cc2)CC1 ZINC000268077022 497673696 /nfs/dbraw/zinc/67/36/96/497673696.db2.gz FCVGKYUVYXRMPN-FQEVSTJZSA-N 2 0 361.505 3.028 20 0 FGADRP C[NH+](C)Cc1c2ccccc2oc1C(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000276888062 497679520 /nfs/dbraw/zinc/67/95/20/497679520.db2.gz QIDMSRMYDABTPU-UHFFFAOYSA-N 2 0 357.498 3.346 20 0 FGADRP C[NH+](C)CCOc1ccc(NC(=O)[C@@H]2CCCC[C@]2(C)[NH3+])cc1Cl ZINC000263052676 497692672 /nfs/dbraw/zinc/69/26/72/497692672.db2.gz USGMWQBXBAMVBX-KSSFIOAISA-N 2 0 353.894 3.127 20 0 FGADRP C[C@H]1C[C@H](NC(=O)NCC2(C)CC[NH+](C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000272672764 497697939 /nfs/dbraw/zinc/69/79/39/497697939.db2.gz PYJKHURBSPSPKH-AZUAARDMSA-N 2 0 372.557 3.071 20 0 FGADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@H](C)c2ccc(NS(C)(=O)=O)cc2)C1 ZINC000246384178 497716043 /nfs/dbraw/zinc/71/60/43/497716043.db2.gz KHBHYXKJAJPMFV-IAGOWNOFSA-N 2 0 367.559 3.077 20 0 FGADRP O=C([C@@H]1CCC[N@@H+]1Cc1ccccc1)N1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246410031 497724531 /nfs/dbraw/zinc/72/45/31/497724531.db2.gz KWJIUITUUAEXLQ-BVSLBCMMSA-N 2 0 367.537 3.126 20 0 FGADRP CN(c1ccccc1C[NH2+]CC1(CCO)CCCC1)C1CC[NH+](C)CC1 ZINC000268384675 497738342 /nfs/dbraw/zinc/73/83/42/497738342.db2.gz VRRGOTULAOVTKZ-UHFFFAOYSA-N 2 0 359.558 3.249 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)[C@H]1CCCC[C@@]1(C)[NH3+])c1cccc(OC)c1 ZINC000263262185 497743907 /nfs/dbraw/zinc/74/39/07/497743907.db2.gz RCEQPADPNANEHG-SFHLNBCPSA-N 2 0 361.530 3.102 20 0 FGADRP CC[NH+](CC)CCN(Cc1ccccc1)C(=O)C[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000263301545 497753406 /nfs/dbraw/zinc/75/34/06/497753406.db2.gz ZPJNTVGTBZQAOE-PZJWPPBQSA-N 2 0 359.558 3.383 20 0 FGADRP C[C@H](CNC(=O)[C@H](C)[NH+]1CCC(C[NH+]2CCCC2)CC1)c1ccccc1 ZINC000194737923 497754992 /nfs/dbraw/zinc/75/49/92/497754992.db2.gz AKEGYSFYFNRPKJ-MOPGFXCFSA-N 2 0 357.542 3.103 20 0 FGADRP Cc1ccc(Br)cc1NC(=O)CC[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000246522089 497762439 /nfs/dbraw/zinc/76/24/39/497762439.db2.gz URPBMKPNDKOLID-DZGCQCFKSA-N 2 0 368.319 3.158 20 0 FGADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000273155100 497804843 /nfs/dbraw/zinc/80/48/43/497804843.db2.gz ALNFLKQYKFPJRR-HNNXBMFYSA-N 2 0 351.560 3.243 20 0 FGADRP CC(C)N(Cc1ccccc1)C(=O)CN1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246816608 497813255 /nfs/dbraw/zinc/81/32/55/497813255.db2.gz NNWGMLCMMUSCNM-RBBKRZOGSA-N 2 0 369.553 3.372 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2C[C@H](OCC)C23CCCC3)[C@@H](C)C1 ZINC000246821805 497813746 /nfs/dbraw/zinc/81/37/46/497813746.db2.gz ARDJYAKCLWLVQE-HAGHYFMRSA-N 2 0 352.563 3.451 20 0 FGADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)C1 ZINC000246855432 497816746 /nfs/dbraw/zinc/81/67/46/497816746.db2.gz FKZXHXGLOMWFIP-TZIWHRDSSA-N 2 0 372.557 3.101 20 0 FGADRP O=C1[C@H](N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)CCCN1c1cccc(F)c1 ZINC000246937768 497821201 /nfs/dbraw/zinc/82/12/01/497821201.db2.gz UBFAQKSCZADJRS-ZLGUVYLKSA-N 2 0 371.500 3.270 20 0 FGADRP C[C@@H]1CCC[N@H+](CCCC[NH2+][C@H]2CCS(=O)(=O)c3c(F)cccc32)C1 ZINC000364363447 497921663 /nfs/dbraw/zinc/92/16/63/497921663.db2.gz MCRCEFMGSIPKQX-QAPCUYQASA-N 2 0 368.518 3.146 20 0 FGADRP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](CC[C@@H](C)OCc3ccccc3)C2)CC1 ZINC000572356131 505948818 /nfs/dbraw/zinc/94/88/18/505948818.db2.gz KZTZWXXIEPBUDO-IFMALSPDSA-N 2 0 359.558 3.082 20 0 FGADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N(C)CCC[NH+]1CCCC1 ZINC000280901838 497942916 /nfs/dbraw/zinc/94/29/16/497942916.db2.gz DUNJCPDCDHBVOZ-UHFFFAOYSA-N 2 0 360.546 3.154 20 0 FGADRP C[NH+]1CCC(CC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)CC1 ZINC000292263433 497944450 /nfs/dbraw/zinc/94/44/50/497944450.db2.gz TVBGEZBBZRMUJU-VXKWHMMOSA-N 2 0 369.553 3.231 20 0 FGADRP Cc1cccc(N2CC[NH+](CCCC[NH2+][C@@H]3C[C@H](C)n4ccnc43)CC2)c1 ZINC000296186267 497948175 /nfs/dbraw/zinc/94/81/75/497948175.db2.gz YIAFMAOJOXFVRB-PZJWPPBQSA-N 2 0 367.541 3.389 20 0 FGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](c1ccc(OC(C)C)cc1)[NH+](C)C ZINC000581329765 505962388 /nfs/dbraw/zinc/96/23/88/505962388.db2.gz FBNBBAWCXSAUSD-UXHICEINSA-N 2 0 361.530 3.067 20 0 FGADRP C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000289074648 498004574 /nfs/dbraw/zinc/00/45/74/498004574.db2.gz NFBYUXARWBNAST-NQIIRXRSSA-N 2 0 370.541 3.051 20 0 FGADRP CC[NH+](CC)CCOc1ccccc1NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000296377364 498018498 /nfs/dbraw/zinc/01/84/98/498018498.db2.gz OVBBFXFWBMAPBO-AYHJJNSGSA-N 2 0 374.529 3.154 20 0 FGADRP C[NH+](C)C1CCN(c2ccc(NC(=O)c3ccc4c[nH+]cn4c3)cc2)CC1 ZINC000285493324 498106345 /nfs/dbraw/zinc/10/63/45/498106345.db2.gz DUDRJGMAPCKYSA-UHFFFAOYSA-N 2 0 363.465 3.117 20 0 FGADRP C[N@H+](C[C@H](O)COc1ccccc1C(F)(F)F)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285582338 498137227 /nfs/dbraw/zinc/13/72/27/498137227.db2.gz UBSVTPYKIGYBMB-QXULXFAOSA-N 2 0 372.431 3.002 20 0 FGADRP OC[C@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+][C@H](c1cncc(F)c1)C1CC1 ZINC000281424331 498145824 /nfs/dbraw/zinc/14/58/24/498145824.db2.gz BXYQMXXQISXRQW-YADHBBJMSA-N 2 0 369.484 3.418 20 0 FGADRP C[C@H](C[C@H](C)[NH3+])NC(=O)NCc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000578647716 505989168 /nfs/dbraw/zinc/98/91/68/505989168.db2.gz DLCOOACNZRNICR-XWTMOSNGSA-N 2 0 360.546 3.090 20 0 FGADRP C[N@@H+]1CCC[C@@H](CNC(=O)CC2CC[NH2+]CC2)[C@@H]1c1cccc(Cl)c1 ZINC000364852388 498173539 /nfs/dbraw/zinc/17/35/39/498173539.db2.gz UAIGUFKZJLPGLI-PXNSSMCTSA-N 2 0 363.933 3.229 20 0 FGADRP CSc1ccc([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)N3CC(=O)N(C)C)cc1 ZINC000285729099 498184044 /nfs/dbraw/zinc/18/40/44/498184044.db2.gz QSHBRRNXEZZXCS-MIGBEJBISA-N 2 0 361.555 3.143 20 0 FGADRP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)Nc2cccc3c2CC[NH2+]C3)C1 ZINC000575731784 505993628 /nfs/dbraw/zinc/99/36/28/505993628.db2.gz RJGUEMRSNCHLNN-INIZCTEOSA-N 2 0 358.530 3.354 20 0 FGADRP CCOC(=O)c1csc(CN[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)n1 ZINC000292912847 498193926 /nfs/dbraw/zinc/19/39/26/498193926.db2.gz KXYXWWBXANUGEH-RDJZCZTQSA-N 2 0 373.522 3.320 20 0 FGADRP COC(=O)c1cc2c(o1)c(OC)ccc2C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000569693486 505995545 /nfs/dbraw/zinc/99/55/45/505995545.db2.gz OILITPWIXBYUKD-GJZGRUSLSA-N 2 0 372.465 3.050 20 0 FGADRP C[NH2+][C@@H]1CCCN(C(=O)NCC2([NH2+][C@H](C)c3ccccc3)CCCC2)C1 ZINC000569695172 505995950 /nfs/dbraw/zinc/99/59/50/505995950.db2.gz IUIPYZAVSRJWBE-IEBWSBKVSA-N 2 0 358.530 3.043 20 0 FGADRP Cc1[nH+]c2ccc(Br)cc2c(NC[C@@](C)(O)C[NH+](C)C)c1C ZINC000301782935 498261689 /nfs/dbraw/zinc/26/16/89/498261689.db2.gz TWESWNJEJCKQIX-QGZVFWFLSA-N 2 0 366.303 3.339 20 0 FGADRP CCn1ccnc1[C@H]1OCC[C@@H]1[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000289799219 498298726 /nfs/dbraw/zinc/29/87/26/498298726.db2.gz SFKRKEFFPMAKGP-VMXMFDLUSA-N 2 0 368.525 3.233 20 0 FGADRP C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@H]1[NH2+]Cc1ccnc(N2CCCCC2)c1 ZINC000360887702 498319451 /nfs/dbraw/zinc/31/94/51/498319451.db2.gz KLQOTHZFYOZJEG-HMXCVIKNSA-N 2 0 372.557 3.051 20 0 FGADRP O=C(NC1CC[NH+](C2CCC2)CC1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000297162388 498338298 /nfs/dbraw/zinc/33/82/98/498338298.db2.gz MSQOKHKEEJFDPK-IBGZPJMESA-N 2 0 355.526 3.032 20 0 FGADRP C[C@@H](NC(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1)[C@H]1CCC[NH2+]C1 ZINC000581596979 506024424 /nfs/dbraw/zinc/02/44/24/506024424.db2.gz RJQJTUNFRGRVSV-QRVBRYPASA-N 2 0 372.557 3.106 20 0 FGADRP C[C@H](c1ccc(F)cc1)N1CC[C@@H]([NH+]2CCC(CC[NH+](C)C)CC2)C1=O ZINC000293450879 498389058 /nfs/dbraw/zinc/38/90/58/498389058.db2.gz KOTKVCPYEGVEIZ-OXQOHEQNSA-N 2 0 361.505 3.151 20 0 FGADRP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000575897661 506028838 /nfs/dbraw/zinc/02/88/38/506028838.db2.gz CQARHLHAXVCNIE-AVRDEDQJSA-N 2 0 372.557 3.250 20 0 FGADRP C[C@H]1[C@H]([NH2+]C2CCN(c3cc[nH+]cc3)CC2)CCN1Cc1ccccc1 ZINC000297373591 498424603 /nfs/dbraw/zinc/42/46/03/498424603.db2.gz HWXOVNFMRSUBJH-PGRDOPGGSA-N 2 0 350.510 3.303 20 0 FGADRP Cc1ccc(NC(=O)CC[NH2+]Cc2ccccc2C[N@@H+](C)C(C)C)nc1 ZINC000575916298 506032566 /nfs/dbraw/zinc/03/25/66/506032566.db2.gz ALMFWKDCCHWCJA-UHFFFAOYSA-N 2 0 354.498 3.349 20 0 FGADRP C[C@H]([NH2+][C@H]1CC(=O)N(C2CCCCC2)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000581634129 506032841 /nfs/dbraw/zinc/03/28/41/506032841.db2.gz AMGOQHXWQLFTHG-TYPHKJRUSA-N 2 0 369.553 3.420 20 0 FGADRP C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000572705157 506033042 /nfs/dbraw/zinc/03/30/42/506033042.db2.gz QFGZQUKRXGEWPY-WIYYLYMNSA-N 2 0 372.557 3.474 20 0 FGADRP C[N@@H+]1CCCC12CCN(C(=O)[C@H]1CCC[NH+](Cc3cccc(F)c3)C1)CC2 ZINC000361908694 498440588 /nfs/dbraw/zinc/44/05/88/498440588.db2.gz QJWQKCYXJVISAV-IBGZPJMESA-N 2 0 373.516 3.125 20 0 FGADRP C[C@H](NC(=O)C[NH+]1CCC2(C[C@@H]2C[N@H+](C)C2CC2)CC1)c1cccs1 ZINC000362616879 498524999 /nfs/dbraw/zinc/52/49/99/498524999.db2.gz NONHRSZOJHKXAS-JKSUJKDBSA-N 2 0 361.555 3.122 20 0 FGADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+]C[C@@H](O)COc2ccccc2C(F)(F)F)C1 ZINC000575981220 506048299 /nfs/dbraw/zinc/04/82/99/506048299.db2.gz BVKYCKIFHGYPNQ-HZPDHXFCSA-N 2 0 374.447 3.155 20 0 FGADRP FC(F)(F)CN1CCC(CC[NH2+]C2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000297665869 498528880 /nfs/dbraw/zinc/52/88/80/498528880.db2.gz OECMPPMWKXPXJT-UHFFFAOYSA-N 2 0 370.463 3.304 20 0 FGADRP CCC[N@H+](CC)Cc1ccc(C(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000290394266 498536246 /nfs/dbraw/zinc/53/62/46/498536246.db2.gz LMLXZEUNXPQSAS-OAQYLSRUSA-N 2 0 357.542 3.380 20 0 FGADRP C[C@@H]([NH3+])[C@@H]1CCN(C(=O)NCc2ccccc2C[N@H+](C)C2CCCCC2)C1 ZINC000581715381 506051629 /nfs/dbraw/zinc/05/16/29/506051629.db2.gz YDXOWFBUWRZGOV-IEBWSBKVSA-N 2 0 372.557 3.330 20 0 FGADRP Cc1sc2nc(CN3CCCC3)nc(NCc3ccc(N)nc3)c2c1C ZINC000302754133 498559620 /nfs/dbraw/zinc/55/96/20/498559620.db2.gz IBHHHPKAWNFYLS-UHFFFAOYSA-N 2 0 368.510 3.493 20 0 FGADRP CN1CC[C@H]([NH2+]C2CCN(c3cc[nH+]cc3)CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000297782919 498566514 /nfs/dbraw/zinc/56/65/14/498566514.db2.gz WISRIBDLMMMQSL-SFTDATJTSA-N 2 0 372.463 3.364 20 0 FGADRP Cn1ccnc1[C@@H]1CCCN(C(=O)c2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000365637418 498572112 /nfs/dbraw/zinc/57/21/12/498572112.db2.gz UHDLVVFCYYRGDE-HXUWFJFHSA-N 2 0 366.509 3.426 20 0 FGADRP C[C@@H](NC(=O)N(C)CCC[NH+]1CCCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000282592214 498573693 /nfs/dbraw/zinc/57/36/93/498573693.db2.gz LUQOXBJIMKWFBO-TZIWHRDSSA-N 2 0 372.557 3.024 20 0 FGADRP CC(C)c1cc(NC[C@@H]2CCC[N@H+](C)C2)nc(NC[C@H]2CCC[NH+](C)C2)n1 ZINC000302785718 498574125 /nfs/dbraw/zinc/57/41/25/498574125.db2.gz VSFNRMDIKKGAST-ZWKOTPCHSA-N 2 0 374.577 3.107 20 0 FGADRP Clc1ccc(-c2noc(CC[NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)n2)cc1 ZINC000569957938 506056564 /nfs/dbraw/zinc/05/65/64/506056564.db2.gz XHTCURNBQFGKPI-BBWFWOEESA-N 2 0 360.889 3.443 20 0 FGADRP c1coc([C@H](C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)N2CCCCC2)c1 ZINC000294101003 498589316 /nfs/dbraw/zinc/58/93/16/498589316.db2.gz BZFMJXGVVJOHLW-FQEVSTJZSA-N 2 0 354.498 3.460 20 0 FGADRP COc1nccnc1C[NH2+]C[C@@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000294109968 498592274 /nfs/dbraw/zinc/59/22/74/498592274.db2.gz CVDHKNUABOLTNN-GUYCJALGSA-N 2 0 364.852 3.060 20 0 FGADRP [NH3+][C@@H]1CCC[C@H](C[NH2+][C@@H]2CCCC[C@H](N3C(=O)c4ccccc4C3=O)C2)C1 ZINC000572832876 506063239 /nfs/dbraw/zinc/06/32/39/506063239.db2.gz FRWJBCJWVPHLEV-MLHJIOFPSA-N 2 0 369.509 3.091 20 0 FGADRP C[C@@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)c1nccc2ccccc21 ZINC000290712319 498655555 /nfs/dbraw/zinc/65/55/55/498655555.db2.gz NZJOLAFJMUQKKP-MRXNPFEDSA-N 2 0 350.466 3.421 20 0 FGADRP Cc1cc([C@@H](C)[NH2+]CCc2ccc(OCC[NH+]3CCCC3)cc2)nn1C ZINC000282889360 498697475 /nfs/dbraw/zinc/69/74/75/498697475.db2.gz WDXPLUQCXBTHAH-GOSISDBHSA-N 2 0 356.514 3.096 20 0 FGADRP CCC[N@@H+]1CCC[C@H]1C(=O)Nc1ccnc(N2CCc3ccccc3C2)c1 ZINC000570050203 506078201 /nfs/dbraw/zinc/07/82/01/506078201.db2.gz YMIRMLRFMLHBQW-FQEVSTJZSA-N 2 0 364.493 3.457 20 0 FGADRP C[NH+](C)CCCOc1cccc(NC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000298355768 498743181 /nfs/dbraw/zinc/74/31/81/498743181.db2.gz JXKZQOGHJSGRDI-UHFFFAOYSA-N 2 0 354.498 3.493 20 0 FGADRP FC(F)Cn1cc(CN2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)cn1 ZINC000294641023 498757824 /nfs/dbraw/zinc/75/78/24/498757824.db2.gz KGINUYIMEQVUML-HXUWFJFHSA-N 2 0 360.452 3.246 20 0 FGADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+]C[C@H]2CCc3nccn3C2)CC1 ZINC000287508102 498781302 /nfs/dbraw/zinc/78/13/02/498781302.db2.gz OBKCDKAIKAULRK-QNGMFEMESA-N 2 0 352.526 3.478 20 0 FGADRP COC(=O)c1ccc(C[NH2+]CC2(C)CC[NH+](C)CC2)c(Br)c1 ZINC000319140760 498800735 /nfs/dbraw/zinc/80/07/35/498800735.db2.gz UFTFQZLVQKUJHX-UHFFFAOYSA-N 2 0 369.303 3.057 20 0 FGADRP Cc1ccc([C@H](CNC(=O)c2ccc(CC[NH+](C)C)cc2)[NH+]2CCCC2)o1 ZINC000576180725 506095343 /nfs/dbraw/zinc/09/53/43/506095343.db2.gz MXXJJGBQWCSQOO-FQEVSTJZSA-N 2 0 369.509 3.259 20 0 FGADRP CC1CC[NH+](CCC[C@H]([NH2+]CCS(C)(=O)=O)c2ccc(F)cc2)CC1 ZINC000291187916 498835100 /nfs/dbraw/zinc/83/51/00/498835100.db2.gz LEAOMSSFWPDXOK-IBGZPJMESA-N 2 0 370.534 3.013 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H]1CCC2(CCOCC2)[C@H]1O ZINC000283394491 498872750 /nfs/dbraw/zinc/87/27/50/498872750.db2.gz PVULMHRBIVAHGV-GBAJDQEWSA-N 2 0 372.553 3.054 20 0 FGADRP C[C@@H]1CN(C(=O)Nc2ccn3ccnc3c2)CC[N@H+](Cc2ccccc2)C1 ZINC000570167621 506106543 /nfs/dbraw/zinc/10/65/43/506106543.db2.gz LLSGSBNYZNWHQL-KRWDZBQOSA-N 2 0 363.465 3.320 20 0 FGADRP O=C([C@@H]1CCCCC[NH2+]1)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000581944285 506096292 /nfs/dbraw/zinc/09/62/92/506096292.db2.gz BEMYCGZYFIXXSF-HKBOAZHASA-N 2 0 355.526 3.032 20 0 FGADRP [NH3+][C@H](CC(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000366416766 498917218 /nfs/dbraw/zinc/91/72/18/498917218.db2.gz ZHCYYFCKSLWJBD-TZIWHRDSSA-N 2 0 351.494 3.105 20 0 FGADRP C[NH+]1CCC2(CC1)C[C@@H]([NH2+]C[C@H]1CCC[C@@H](CO)C1)c1ccccc1O2 ZINC000366446151 498931280 /nfs/dbraw/zinc/93/12/80/498931280.db2.gz ZUOXIRIXMIUYHE-NLWGTHIKSA-N 2 0 358.526 3.363 20 0 FGADRP CCC[NH+]1CCN(c2ccccc2C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)CC1 ZINC000573090476 506116906 /nfs/dbraw/zinc/11/69/06/506116906.db2.gz FDSYNIQDBNSBNK-NRFANRHFSA-N 3 0 370.585 3.040 20 0 FGADRP CC1CC[NH+]([C@H](CNC(=O)c2ccccc2CC[NH3+])c2cccs2)CC1 ZINC000573102623 506119224 /nfs/dbraw/zinc/11/92/24/506119224.db2.gz ZNSAMSLQDDXJHW-LJQANCHMSA-N 2 0 371.550 3.452 20 0 FGADRP O=C1O[C@@H](C[N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)CC12CC2 ZINC000366587352 498992334 /nfs/dbraw/zinc/99/23/34/498992334.db2.gz VEXKYYWVRDFVEI-LJQANCHMSA-N 2 0 354.494 3.070 20 0 FGADRP O=C1O[C@H](C[N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)CC12CC2 ZINC000366587346 498992786 /nfs/dbraw/zinc/99/27/86/498992786.db2.gz VEXKYYWVRDFVEI-IBGZPJMESA-N 2 0 354.494 3.070 20 0 FGADRP C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]Cc1cccc(S(C)(=O)=O)c1 ZINC000295673151 499077383 /nfs/dbraw/zinc/07/73/83/499077383.db2.gz KGRNAHATWCMLFJ-DYESRHJHSA-N 2 0 372.534 3.090 20 0 FGADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC(N[C@H]2CCCO[C@@H]2c2nccn2C)CC1 ZINC000372537282 499141857 /nfs/dbraw/zinc/14/18/57/499141857.db2.gz BMUIGPMCDVQTHT-GTAWCEEGSA-N 2 0 360.546 3.273 20 0 FGADRP C[C@H]1C[C@H](N(C)C(=O)NC2CC[NH+](CC3CCCCC3)CC2)CC[N@@H+]1C ZINC000369871828 499142523 /nfs/dbraw/zinc/14/25/23/499142523.db2.gz JLHUIVJAXMSZCW-FXAWDEMLSA-N 2 0 364.578 3.155 20 0 FGADRP c1cc(C[NH+]2CCC[C@H]3OCC[C@H]32)cc(C[N@@H+]2CCC[C@H]3OCC[C@H]32)c1 ZINC000369878853 499143853 /nfs/dbraw/zinc/14/38/53/499143853.db2.gz VDPXMRDTPBJAGI-GXRSIYKFSA-N 2 0 356.510 3.193 20 0 FGADRP C[N@H+](C[C@H]1CC12CC[NH+](C[C@H](O)c1ccc(F)cc1F)CC2)C1CC1 ZINC000367209988 499162380 /nfs/dbraw/zinc/16/23/80/499162380.db2.gz YLAALSIWICMWBU-KUHUBIRLSA-N 2 0 350.453 3.195 20 0 FGADRP CCc1cc(N2CCC[C@@H](C[NH+]3CCN(C)CC3)C2)c2ccccc2[nH+]1 ZINC000372726195 499166783 /nfs/dbraw/zinc/16/67/83/499166783.db2.gz JUAVNCCTVSWBMF-SFHVURJKSA-N 2 0 352.526 3.261 20 0 FGADRP C[C@@H](C[NH2+][C@@H]1CCCOc2c3ccccc3ccc21)N1CC[NH+](C)CC1 ZINC000372771135 499173028 /nfs/dbraw/zinc/17/30/28/499173028.db2.gz XFDLCDSUTBOSCH-LAUBAEHRSA-N 2 0 353.510 3.279 20 0 FGADRP C[N@H+](C[C@@H]1CC12CC[NH+](C[C@H](O)c1c(F)cccc1F)CC2)C1CC1 ZINC000367309534 499178273 /nfs/dbraw/zinc/17/82/73/499178273.db2.gz JMQJXNQTYUJAGD-KSSFIOAISA-N 2 0 350.453 3.195 20 0 FGADRP C[N@@H+](Cc1cnoc1C1CC1)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000367373475 499190602 /nfs/dbraw/zinc/19/06/02/499190602.db2.gz YTDGVLAIDAMOBF-NRFANRHFSA-N 2 0 369.509 3.429 20 0 FGADRP Cn1cc(-c2ccc(C[NH2+]C[C@@H]3CCN(C)[C@H]3c3cccnc3)s2)cn1 ZINC000370287988 499206103 /nfs/dbraw/zinc/20/61/03/499206103.db2.gz KZDYCJARVYRXSS-JXFKEZNVSA-N 2 0 367.522 3.326 20 0 FGADRP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(NC(=O)c3cccnc3)cc2)[C@@H]2CCC[C@H]21 ZINC000367532558 499209891 /nfs/dbraw/zinc/20/98/91/499209891.db2.gz BOGIESDWKMGZTB-PCCBWWKXSA-N 2 0 364.493 3.296 20 0 FGADRP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(C(=O)N3CCCCC3)cc2)[C@@H]2CCC[C@@H]21 ZINC000367605897 499216812 /nfs/dbraw/zinc/21/68/12/499216812.db2.gz IIAPBLUIRFPRDB-ACRUOGEOSA-N 2 0 355.526 3.275 20 0 FGADRP COc1ccc(Cl)cc1NC(=O)CC[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000367621762 499218823 /nfs/dbraw/zinc/21/88/23/499218823.db2.gz TVTKLVMMYUSSCN-BFYDXBDKSA-N 2 0 365.905 3.140 20 0 FGADRP COc1ccc([C@H](C)[NH2+][C@@H](CN2CC[NH+](C)CC2)c2ccccc2)cc1O ZINC000579295049 506138189 /nfs/dbraw/zinc/13/81/89/506138189.db2.gz IBOCDVYDIBREFD-PXNSSMCTSA-N 2 0 369.509 3.040 20 0 FGADRP COc1cc(OC)c(OC)cc1C[N@H+](C)C1CCN(c2cc[nH+]cc2)CC1 ZINC000367684232 499224533 /nfs/dbraw/zinc/22/45/33/499224533.db2.gz HGFXMNBYRRLMNC-UHFFFAOYSA-N 2 0 371.481 3.208 20 0 FGADRP Brc1cnn(CC[NH2+]C2CC[NH+](C3CCCCC3)CC2)c1 ZINC000367699439 499226138 /nfs/dbraw/zinc/22/61/38/499226138.db2.gz SQKZFMISEYKPSC-UHFFFAOYSA-N 2 0 355.324 3.032 20 0 FGADRP COc1ccc([C@H](C)[NH2+][C@@H]2CCN(C[C@H]3CCCO3)C[C@@H]2C)cc1F ZINC000370574276 499232840 /nfs/dbraw/zinc/23/28/40/499232840.db2.gz SPLLQNKLRFLOAV-MFWIUYSUSA-N 2 0 350.478 3.374 20 0 FGADRP Cc1cc(=O)oc2cc(OCCN3CCC4(CCC[N@H+]4C)CC3)ccc12 ZINC000370651037 499239876 /nfs/dbraw/zinc/23/98/76/499239876.db2.gz ONIQOTHQFHVCKD-UHFFFAOYSA-N 2 0 356.466 3.040 20 0 FGADRP C[C@H]([NH2+]Cc1ccnc(-n2ccnc2)c1)c1cccc(OCC[NH+](C)C)c1 ZINC000370650847 499239974 /nfs/dbraw/zinc/23/99/74/499239974.db2.gz GMFJCEBBOPRUAI-KRWDZBQOSA-N 2 0 365.481 3.059 20 0 FGADRP O=C(Nc1ccc(-c2ncc3n2CCCC3)cc1)[C@@H]1C[NH+]2CCC1CC2 ZINC000370671667 499242776 /nfs/dbraw/zinc/24/27/76/499242776.db2.gz WEZWIDDXAGDJGP-LJQANCHMSA-N 2 0 350.466 3.167 20 0 FGADRP Cc1ccc2c(C[NH+]3CCC(C)(C[NH+]4CCOCC4)CC3)cc(=O)oc2c1 ZINC000371091484 499287904 /nfs/dbraw/zinc/28/79/04/499287904.db2.gz ZAEJGKCNUUUBEO-UHFFFAOYSA-N 2 0 370.493 3.036 20 0 FGADRP C[C@H](CC[NH+](C)C)NC(=O)N1CCC[C@@H]([N@H+](C)Cc2ccccc2)CC1 ZINC000371106254 499288964 /nfs/dbraw/zinc/28/89/64/499288964.db2.gz JFQHCCSGRIVUJW-UYAOXDASSA-N 2 0 360.546 3.023 20 0 FGADRP C[C@H](CCc1ccc(O)cc1)[NH2+]CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000368494028 499301555 /nfs/dbraw/zinc/30/15/55/499301555.db2.gz KUAAAOCGRMAUDS-LJQANCHMSA-N 2 0 373.585 3.499 20 0 FGADRP O=C([C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000371242691 499301603 /nfs/dbraw/zinc/30/16/03/499301603.db2.gz HKILLKJBQWLIJE-FPOVZHCZSA-N 2 0 373.516 3.028 20 0 FGADRP Cc1cc(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)c2ccccc2n1 ZINC000371304250 499308098 /nfs/dbraw/zinc/30/80/98/499308098.db2.gz SDTMHZXYOTUJSG-JTSKRJEESA-N 2 0 352.526 3.001 20 0 FGADRP CC(C)[NH+]1CCN([C@H]2CC[N@H+](Cc3cccn3Cc3cccs3)C2)CC1 ZINC000371334533 499311899 /nfs/dbraw/zinc/31/18/99/499311899.db2.gz GUBWSZUMLSQINX-FQEVSTJZSA-N 2 0 372.582 3.198 20 0 FGADRP O=C(NCCC[NH+]1CCCCC1)[C@H]1CCn2c(cnc2C2CCCCC2)C1 ZINC000368600186 499312455 /nfs/dbraw/zinc/31/24/55/499312455.db2.gz GGVPKHUMTFFINS-IBGZPJMESA-N 2 0 372.557 3.485 20 0 FGADRP C[NH+]1CCC2(CCCN2C(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)CC1 ZINC000371403384 499321426 /nfs/dbraw/zinc/32/14/26/499321426.db2.gz QEDSRWFZWPODPM-HXUWFJFHSA-N 2 0 370.541 3.093 20 0 FGADRP C[C@H](c1nc2ccccc2o1)[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000368836178 499337946 /nfs/dbraw/zinc/33/79/46/499337946.db2.gz WSVAOXDYQSNRNC-QGZVFWFLSA-N 2 0 356.514 3.238 20 0 FGADRP O=C(C1CC[NH+](Cc2ccccc2)CC1)N1CCC[C@H]([NH+]2CCCCC2)C1 ZINC000371593196 499345450 /nfs/dbraw/zinc/34/54/50/499345450.db2.gz RVWUZQFLRZUFKX-QFIPXVFZSA-N 2 0 369.553 3.376 20 0 FGADRP C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000369062599 499361692 /nfs/dbraw/zinc/36/16/92/499361692.db2.gz HRIYWHJSVGEYKF-CRAIPNDOSA-N 2 0 369.475 3.395 20 0 FGADRP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+][C@@H]2CCN(C3CC[NH+](C)CC3)C2)C1 ZINC000369062955 499361696 /nfs/dbraw/zinc/36/16/96/499361696.db2.gz IOEUBRDIMIEQAO-HSALFYBXSA-N 2 0 356.558 3.174 20 0 FGADRP CCC[NH+]1CCC([NH2+]C2CCN(C(=O)c3ccccc3OCC)CC2)CC1 ZINC000371980727 499386505 /nfs/dbraw/zinc/38/65/05/499386505.db2.gz SGBMWXOXAJZNCL-UHFFFAOYSA-N 2 0 373.541 3.154 20 0 FGADRP CC(C)CC[NH+]1CCC(C[NH2+][C@@H]2CC[N@H+](C[C@H]3CCCO3)C[C@@H]2C)CC1 ZINC000372054994 499393882 /nfs/dbraw/zinc/39/38/82/499393882.db2.gz JMDOOQAFEIJCKX-KSEOMHKRSA-N 3 0 365.606 3.224 20 0 FGADRP C[NH+](C)Cc1cccc(C(=O)NCC2(C)C[NH+](Cc3ccccc3)C2)c1 ZINC000372256082 499414130 /nfs/dbraw/zinc/41/41/30/499414130.db2.gz UVNYAPOWLWKKBD-UHFFFAOYSA-N 2 0 351.494 3.000 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1N(C)Cc1ccc(C(=O)N(C)C)[nH]1 ZINC000372399058 499429241 /nfs/dbraw/zinc/42/92/41/499429241.db2.gz ARIWSQORYLVFOG-DYESRHJHSA-N 2 0 368.525 3.059 20 0 FGADRP C[C@H]1C[N@H+](Cc2ccc(C(F)(F)F)cc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000369768400 499441794 /nfs/dbraw/zinc/44/17/94/499441794.db2.gz WOGPSPILIFCTEG-MAUKXSAKSA-N 2 0 355.448 3.163 20 0 FGADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2Cc1ccn(-c2ccc(Cl)cc2)n1 ZINC000373344995 499464398 /nfs/dbraw/zinc/46/43/98/499464398.db2.gz DBNAUWCNEWXRJH-VAMGGRTRSA-N 2 0 374.916 3.209 20 0 FGADRP C[C@H](c1ccc(OC(F)F)cc1)[N@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000378425927 499515513 /nfs/dbraw/zinc/51/55/13/499515513.db2.gz GTGVSYCSXUZYIJ-CRAIPNDOSA-N 2 0 367.484 3.449 20 0 FGADRP Cc1nn(C)c(N2CCC[N@H+](C)CC2)c1C[NH2+][C@H](c1ccccc1)C(C)C ZINC000378436192 499516647 /nfs/dbraw/zinc/51/66/47/499516647.db2.gz VRJXFKIAAMJDHT-NRFANRHFSA-N 2 0 369.557 3.357 20 0 FGADRP C[NH+]1CCN(C[C@H]2CCC[N@H+](CCCSCc3ccccc3)C2)CC1 ZINC000378435547 499516724 /nfs/dbraw/zinc/51/67/24/499516724.db2.gz OEZQJYMUSQEOBM-NRFANRHFSA-N 2 0 361.599 3.269 20 0 FGADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+][C@@H]3CCCN(c4ccncn4)C3)CC2)C1 ZINC000378473452 499521557 /nfs/dbraw/zinc/52/15/57/499521557.db2.gz KCTKLFHWZOSPMO-RLLQIKCJSA-N 2 0 357.546 3.078 20 0 FGADRP C[C@H](CCc1ccc(F)cc1F)[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000573229186 506149218 /nfs/dbraw/zinc/14/92/18/506149218.db2.gz VCHKBRSDSDEAHF-HZPDHXFCSA-N 2 0 352.469 3.376 20 0 FGADRP O[C@H](C[NH2+]C[C@H]1CCCC[N@H+](Cc2ccccc2)C1)COc1ccccc1 ZINC000380852676 499544118 /nfs/dbraw/zinc/54/41/18/499544118.db2.gz CNDHNLOOIKWDFU-FGZHOGPDSA-N 2 0 368.521 3.318 20 0 FGADRP C[NH2+]CCc1ccccc1C(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000382682098 499545571 /nfs/dbraw/zinc/54/55/71/499545571.db2.gz CMSNYDLVGQOQIB-FQEVSTJZSA-N 2 0 365.521 3.043 20 0 FGADRP Cc1cc(C)cc(OC[C@H](O)C[NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000383705785 499547014 /nfs/dbraw/zinc/54/70/14/499547014.db2.gz FGVLAWACRBHFAL-FCHUYYIVSA-N 2 0 368.521 3.155 20 0 FGADRP Cc1ncc2c(n1)CC[C@@H]([NH2+][C@@H]1C[C@H]3CC[C@@H](C1)[N@H+]3Cc1ccccc1)C2 ZINC000375713159 499548056 /nfs/dbraw/zinc/54/80/56/499548056.db2.gz WVIOQPYVQKWAFJ-YSFYHYPLSA-N 2 0 362.521 3.428 20 0 FGADRP Cc1ncc2c(n1)CC[C@H]([NH2+][C@H]1C[C@H]3CC[C@@H](C1)[N@H+]3Cc1ccccc1)C2 ZINC000375713157 499548269 /nfs/dbraw/zinc/54/82/69/499548269.db2.gz WVIOQPYVQKWAFJ-KJJMTIBFSA-N 2 0 362.521 3.428 20 0 FGADRP COc1cc(C[NH2+]C(C)(C)CCC[NH+](C)C)cc(Br)c1O ZINC000387302536 499549754 /nfs/dbraw/zinc/54/97/54/499549754.db2.gz KDLKIANEYURJSY-UHFFFAOYSA-N 2 0 359.308 3.373 20 0 FGADRP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]C/C=C/c1ccc(F)c(F)c1 ZINC000375740235 499550324 /nfs/dbraw/zinc/55/03/24/499550324.db2.gz FDHFDYHZRHAOBL-WZTADHLQSA-N 2 0 350.453 3.457 20 0 FGADRP c1ccc(CN2CCC[C@@H]2C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000390582685 499554703 /nfs/dbraw/zinc/55/47/03/499554703.db2.gz JTYHWCJEPYPLNB-JOCHJYFZSA-N 2 0 350.510 3.305 20 0 FGADRP C[N@H+](CCOc1cccc(Br)c1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000394163757 499561448 /nfs/dbraw/zinc/56/14/48/499561448.db2.gz KXXWBITUGWPVOK-XYPWUTKMSA-N 2 0 353.304 3.385 20 0 FGADRP COc1ccc(NC(=O)CN[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000397983554 499565840 /nfs/dbraw/zinc/56/58/40/499565840.db2.gz NIXHBJOYAAIERO-UTKZUKDTSA-N 2 0 367.493 3.134 20 0 FGADRP C[C@H](CC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)[C@H]1CCC[NH2+]C1 ZINC000398076362 499566412 /nfs/dbraw/zinc/56/64/12/499566412.db2.gz QSXUHKGIOVVICX-RMVXJAJNSA-N 2 0 357.542 3.039 20 0 FGADRP C[N@H+]1CC=C(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC000376296060 499598261 /nfs/dbraw/zinc/59/82/61/499598261.db2.gz LMXDLBDRUICIBK-QRVBRYPASA-N 2 0 363.546 3.406 20 0 FGADRP C[C@H](C(=O)NCCC[N@H+](C)Cc1ccccc1)N1CCc2ccccc2C1 ZINC000409648633 499612006 /nfs/dbraw/zinc/61/20/06/499612006.db2.gz SVAFKYMBHPVKGZ-LJQANCHMSA-N 2 0 365.521 3.072 20 0 FGADRP OC[C@@H](C[NH2+]C1CCN(Cc2ccccc2Cl)CC1)c1cccnc1 ZINC000376799599 499634937 /nfs/dbraw/zinc/63/49/37/499634937.db2.gz KDHYOCNNILDXJN-GOSISDBHSA-N 2 0 359.901 3.065 20 0 FGADRP CN1CC[NH+](CC2(C)CC[NH+](Cc3ccc(C(F)F)cc3)CC2)CC1 ZINC000376925207 499646729 /nfs/dbraw/zinc/64/67/29/499646729.db2.gz LQIQDQNNGWJISK-UHFFFAOYSA-N 2 0 351.485 3.474 20 0 FGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCc2nc3c(cccc3C)o2)[C@@H](C)C1 ZINC000410355894 499657108 /nfs/dbraw/zinc/65/71/08/499657108.db2.gz AGZHTSJZLAOOGU-ZWKOTPCHSA-N 2 0 359.514 3.405 20 0 FGADRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)C[C@H]1CCCC[C@@H]1[NH3+] ZINC000573253848 506154765 /nfs/dbraw/zinc/15/47/65/506154765.db2.gz GQMXJIATOGIQEF-QVUQUMENSA-N 2 0 357.542 3.167 20 0 FGADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1N(C)C(=O)C1CC[NH+](C2CC2)CC1 ZINC000377468065 499693728 /nfs/dbraw/zinc/69/37/28/499693728.db2.gz LTBGXTHBIUPICS-AVRDEDQJSA-N 2 0 369.553 3.230 20 0 FGADRP O=C(NC1CC[NH+](Cc2cccc(C[NH+]3CCCCC3)c2)CC1)C1CC1 ZINC000411163716 499705212 /nfs/dbraw/zinc/70/52/12/499705212.db2.gz FWTKAMSOIZFFNZ-UHFFFAOYSA-N 2 0 355.526 3.163 20 0 FGADRP CC(C)[NH+]1CCC(NC(=O)C[NH2+][C@@H](c2ccc(F)cc2)C(C)(C)C)CC1 ZINC000411346559 499728178 /nfs/dbraw/zinc/72/81/78/499728178.db2.gz ISVMQSPRRIBSBN-FQEVSTJZSA-N 2 0 363.521 3.492 20 0 FGADRP Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)[C@@H]1CC[NH2+][C@H]1C(C)C ZINC000377816731 499738269 /nfs/dbraw/zinc/73/82/69/499738269.db2.gz KXZHLQXDRLXPPL-MJGOQNOKSA-N 2 0 361.555 3.116 20 0 FGADRP CC(C)[NH+]1CCC(NC(=O)C[NH2+][C@@H](C)c2cccc(C(F)(F)F)c2)CC1 ZINC000411435291 499739993 /nfs/dbraw/zinc/73/99/93/499739993.db2.gz CFWFWDXOUSUPLJ-AWEZNQCLSA-N 2 0 371.447 3.345 20 0 FGADRP CC[NH+]1CCC(NC(=O)C[NH2+][C@H](c2ccccc2F)C2CCCC2)CC1 ZINC000411481253 499746099 /nfs/dbraw/zinc/74/60/99/499746099.db2.gz ZPHNHXVWANLYJA-NRFANRHFSA-N 2 0 361.505 3.247 20 0 FGADRP CC(CC[NH+](C)[C@@H](C)c1cnn(C)c1)CC[N@H+](C)[C@@H](C)c1cnn(C)c1 ZINC000411506521 499748811 /nfs/dbraw/zinc/74/88/11/499748811.db2.gz YIKSTEJRIAUFFM-ROUUACIJSA-N 2 0 360.550 3.256 20 0 FGADRP O=C1CCC[C@@H]1[C@H]1COCCN1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411544406 499753126 /nfs/dbraw/zinc/75/31/26/499753126.db2.gz NNCCRZFXXYULLE-NHCUHLMSSA-N 2 0 356.510 3.243 20 0 FGADRP C[C@H]([NH2+]CCC1CC[NH+](C2CCN(C)CC2)CC1)c1ccc2c(c1)OCO2 ZINC000378180954 499762361 /nfs/dbraw/zinc/76/23/61/499762361.db2.gz ARQWPVAHKUXCOX-KRWDZBQOSA-N 2 0 373.541 3.262 20 0 FGADRP CCOC(=O)C[C@H]1C[C@@H](OC)C[N@@H+]1Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411558926 499763134 /nfs/dbraw/zinc/76/31/34/499763134.db2.gz MQCOVKUEJSLFRX-NHCUHLMSSA-N 2 0 374.525 3.215 20 0 FGADRP NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+][C@@H]2CC[C@H](c3cccc(Cl)c3)C2)C1 ZINC000414131748 499763291 /nfs/dbraw/zinc/76/32/91/499763291.db2.gz YKJBJLXWZSCNSJ-YQVWRLOYSA-N 2 0 363.933 3.153 20 0 FGADRP C[C@H]([NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1)c1ccc2c(c1)CCCC2 ZINC000414187325 499766899 /nfs/dbraw/zinc/76/68/99/499766899.db2.gz IHVSBYRFTLADMX-IBGZPJMESA-N 2 0 371.569 3.013 20 0 FGADRP C[NH+]1CCC(C[NH2+]C2CCC3(CCCCC3)CC2)(N2CCOCC2)CC1 ZINC000414190731 499767264 /nfs/dbraw/zinc/76/72/64/499767264.db2.gz KTLJMIUZEDQVIL-UHFFFAOYSA-N 2 0 363.590 3.266 20 0 FGADRP CC[C@H]([NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1)c1ccc(Cl)cc1 ZINC000414196292 499767882 /nfs/dbraw/zinc/76/78/82/499767882.db2.gz ONJBMMGFERYJQD-IBGZPJMESA-N 2 0 365.949 3.177 20 0 FGADRP C[C@@H]1C[N@H+](Cc2cccc(C[NH+]3CCCCC3)c2)CC2(CCOCC2)O1 ZINC000411678497 499776684 /nfs/dbraw/zinc/77/66/84/499776684.db2.gz SFBTUPXGSMFOCH-LJQANCHMSA-N 2 0 358.526 3.442 20 0 FGADRP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1)c1cccc(F)c1 ZINC000414319603 499777479 /nfs/dbraw/zinc/77/74/79/499777479.db2.gz AETMPPGOSYHDGR-MRXNPFEDSA-N 2 0 369.484 3.374 20 0 FGADRP CC[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)C1 ZINC000414326378 499777980 /nfs/dbraw/zinc/77/79/80/499777980.db2.gz NPNRZHTXXREJJT-DYESRHJHSA-N 2 0 357.542 3.442 20 0 FGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+]Cc2ccc(C(F)(F)F)c(C)c2)CC1 ZINC000414329687 499778311 /nfs/dbraw/zinc/77/83/11/499778311.db2.gz PGYDFVFIUGYSJN-OAHLLOKOSA-N 2 0 357.464 3.377 20 0 FGADRP C[C@@H]1CCC[C@H]([NH2+]Cc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)[C@@H]1C ZINC000414346378 499779675 /nfs/dbraw/zinc/77/96/75/499779675.db2.gz UTCAWHRUFFRYRT-LZJOCLMNSA-N 2 0 357.542 3.298 20 0 FGADRP CC[C@@H]([NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1)c1ccncc1 ZINC000414344952 499779760 /nfs/dbraw/zinc/77/97/60/499779760.db2.gz RZQPAZACUZMYKI-OAQYLSRUSA-N 2 0 366.509 3.020 20 0 FGADRP [NH3+]CCN(c1ccc2ccccc2n1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000414490982 499798795 /nfs/dbraw/zinc/79/87/95/499798795.db2.gz PITAWSJPKXWHAF-UHFFFAOYSA-N 2 0 366.431 3.417 20 0 FGADRP CC[N@H+](C[C@H]1CCCN(C(=O)C[NH3+])C1)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000414732583 499824322 /nfs/dbraw/zinc/82/43/22/499824322.db2.gz CTOPMMZSNRPOPJ-LSDHHAIUSA-N 2 0 371.447 3.286 20 0 FGADRP C[C@@H]1C[C@H](C[NH+]2CCN(C(=O)c3c(Cl)cccc3Cl)CC2)CC[NH2+]1 ZINC000414747334 499826076 /nfs/dbraw/zinc/82/60/76/499826076.db2.gz MTZOGSQDLAPTDC-ZIAGYGMSSA-N 2 0 370.324 3.139 20 0 FGADRP COCC[N@@H+](Cc1cc(Br)cs1)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414756219 499827207 /nfs/dbraw/zinc/82/72/07/499827207.db2.gz JDAPCLQYZXHBBY-QWHCGFSZSA-N 2 0 361.349 3.347 20 0 FGADRP CC[NH+](CC)CCOc1ccccc1NC(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000414784693 499830983 /nfs/dbraw/zinc/83/09/83/499830983.db2.gz ITLMHVRQGXKATR-SJORKVTESA-N 2 0 362.518 3.046 20 0 FGADRP COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000414795270 499832157 /nfs/dbraw/zinc/83/21/57/499832157.db2.gz GKOSYEVXFJPUOL-YDHLFZDLSA-N 2 0 353.894 3.173 20 0 FGADRP Cc1cc(Br)cn2c(C[NH2+][C@H]3CCCC[C@H]3C[NH3+])cnc12 ZINC000414796810 499832233 /nfs/dbraw/zinc/83/22/33/499832233.db2.gz IASAGBFYIQHQKZ-WFASDCNBSA-N 2 0 351.292 3.012 20 0 FGADRP C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000414799158 499832688 /nfs/dbraw/zinc/83/26/88/499832688.db2.gz JUIFRUTYDDBAOS-IOASZLSFSA-N 2 0 368.319 3.273 20 0 FGADRP Cc1nc(COc2ccc(C[NH2+]Cc3ccc([C@H](C)[NH3+])cc3)cc2)no1 ZINC000414810111 499833527 /nfs/dbraw/zinc/83/35/27/499833527.db2.gz NMLADLSWXYKJMS-AWEZNQCLSA-N 2 0 352.438 3.267 20 0 FGADRP C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000414834818 499835857 /nfs/dbraw/zinc/83/58/57/499835857.db2.gz HVOSIBGLRZYRIY-UONOGXRCSA-N 2 0 368.319 3.146 20 0 FGADRP COc1ccc(Cn2nc(C)c(C[NH2+]CC[C@@H]3CCC[NH2+]C3)c2C)cc1 ZINC000414839728 499836405 /nfs/dbraw/zinc/83/64/05/499836405.db2.gz MNFJDPFOIIGNML-SFHVURJKSA-N 2 0 356.514 3.036 20 0 FGADRP COc1ccc(OCc2nc(C[NH2+]CC[C@H]3CCC[NH2+]C3)cs2)cc1 ZINC000414839758 499836535 /nfs/dbraw/zinc/83/65/35/499836535.db2.gz MRFOIFNDAKPSOQ-OAHLLOKOSA-N 2 0 361.511 3.210 20 0 FGADRP C[C@@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]CC1(C)CC[NH2+]CC1 ZINC000414905805 499843637 /nfs/dbraw/zinc/84/36/37/499843637.db2.gz OXAQSMGSDGYQKV-HNNXBMFYSA-N 2 0 351.922 3.056 20 0 FGADRP COc1cc(CN[C@H]2C[NH2+]CC[C@@H]2C)cc(OC)c1OCc1ccccc1 ZINC000414932606 499845831 /nfs/dbraw/zinc/84/58/31/499845831.db2.gz RIBBDQBCEBJUAE-LPHOPBHVSA-N 2 0 370.493 3.370 20 0 FGADRP C[C@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1ccc(OC(F)(F)F)c(Br)c1 ZINC000414931539 499845927 /nfs/dbraw/zinc/84/59/27/499845927.db2.gz BVXFQXFVJUFAKM-CABZTGNLSA-N 2 0 367.209 3.435 20 0 FGADRP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1ccc(Br)c(Br)c1 ZINC000414951101 499847788 /nfs/dbraw/zinc/84/77/88/499847788.db2.gz GXDZILLGKRIAGN-RNCFNFMXSA-N 2 0 362.109 3.299 20 0 FGADRP O=C(NCCC[C@H]1CCC[NH2+]1)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000414964680 499849599 /nfs/dbraw/zinc/84/95/99/499849599.db2.gz MRGPBAWCGSLUTC-LJQANCHMSA-N 2 0 358.530 3.369 20 0 FGADRP C[C@H]1CCN(C(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)C[C@H]1C[NH3+] ZINC000414973605 499850451 /nfs/dbraw/zinc/85/04/51/499850451.db2.gz ZWSFHMFPBYLGDU-PKOBYXMFSA-N 2 0 358.530 3.164 20 0 FGADRP O=C(NC1CC[NH+](C2CCC2)CC1)c1cccc(C[NH+]2CCCCC2)c1 ZINC000412395868 499851540 /nfs/dbraw/zinc/85/15/40/499851540.db2.gz AVXQLDSBLNZDMN-UHFFFAOYSA-N 2 0 355.526 3.419 20 0 FGADRP Clc1ccc(OC[C@H]2CCCO2)c(C[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)c1 ZINC000415013781 499855175 /nfs/dbraw/zinc/85/51/75/499855175.db2.gz VSRYEDCBJVFGMZ-CEXWTWQISA-N 2 0 364.917 3.376 20 0 FGADRP COc1cc(C[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)ccc1OCc1ccncc1 ZINC000415013371 499855191 /nfs/dbraw/zinc/85/51/91/499855191.db2.gz UVNYCWSMQHDWAC-VQTJNVASSA-N 2 0 367.493 3.147 20 0 FGADRP COc1cc(C[NH2+][C@@H](C)CCC[NH3+])cc(Br)c1OC(F)F ZINC000415025333 499855810 /nfs/dbraw/zinc/85/58/10/499855810.db2.gz QOQDPAVZGBLVFL-VIFPVBQESA-N 2 0 367.234 3.276 20 0 FGADRP COc1cc(C[NH2+][C@@H]2CC[C@H](C[NH3+])C2)cc(OC)c1OCc1ccccc1 ZINC000415046358 499857863 /nfs/dbraw/zinc/85/78/63/499857863.db2.gz VBLZMTNXECXQFJ-PKOBYXMFSA-N 2 0 370.493 3.500 20 0 FGADRP CCOc1cc(C[NH2+][C@H]2CC[C@H](C[NH3+])C2)cc(Br)c1OC ZINC000415049766 499858040 /nfs/dbraw/zinc/85/80/40/499858040.db2.gz YCWDCVRIZBQVPL-AAEUAGOBSA-N 2 0 357.292 3.073 20 0 FGADRP C[C@@H](CCN1C(=O)c2ccccc2C1=O)[NH2+][C@H](CCC[NH3+])c1ccccc1 ZINC000415053266 499858518 /nfs/dbraw/zinc/85/85/18/499858518.db2.gz MHUXNTFYAFWLAC-OXJNMPFZSA-N 2 0 365.477 3.131 20 0 FGADRP CC[NH+]1CCN(c2ccc(N[C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)c(C)c2)CC1 ZINC000415066332 499860339 /nfs/dbraw/zinc/86/03/39/499860339.db2.gz AJXNIZBATCHAGU-ILWGZMRPSA-N 2 0 356.558 3.470 20 0 FGADRP [NH3+][C@H]1CCCO[C@H]1C1CC[NH+](Cc2sccc2Br)CC1 ZINC000415109005 499864758 /nfs/dbraw/zinc/86/47/58/499864758.db2.gz MXWOFIGCMHUKJQ-ZFWWWQNUSA-N 2 0 359.333 3.229 20 0 FGADRP COc1cc(C[NH+]2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)ccc1SC ZINC000415132696 499868577 /nfs/dbraw/zinc/86/85/77/499868577.db2.gz UJJDASZHZKFNEM-APWZRJJASA-N 2 0 350.528 3.135 20 0 FGADRP [NH3+][C@H]1CCCO[C@H]1C1CC[NH+](Cc2c(F)cccc2N2CCCC2)CC1 ZINC000415137152 499869060 /nfs/dbraw/zinc/86/90/60/499869060.db2.gz XTZVQXKILUEIRN-FPOVZHCZSA-N 2 0 361.505 3.144 20 0 FGADRP CC[NH+](CC)CCOc1ccc(NC(=O)N[C@@H]2CCCC[C@H]2C[NH3+])cc1 ZINC000415179484 499874051 /nfs/dbraw/zinc/87/40/51/499874051.db2.gz JVSOPZLCGOWSGD-QFBILLFUSA-N 2 0 362.518 3.046 20 0 FGADRP CC[NH+](CC)CCOc1ccc(NC(=O)N[C@H]2CCCC[C@@H]2C[NH3+])cc1 ZINC000415179482 499874084 /nfs/dbraw/zinc/87/40/84/499874084.db2.gz JVSOPZLCGOWSGD-APWZRJJASA-N 2 0 362.518 3.046 20 0 FGADRP CCC(CC)(C[NH3+])NC(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000415313159 499885693 /nfs/dbraw/zinc/88/56/93/499885693.db2.gz UYNJLFNAJVIQHL-UHFFFAOYSA-N 2 0 362.518 3.190 20 0 FGADRP CC1CC[NH+](CCc2cccc(NC(=O)NCC[C@H]3CC[NH2+]C3)c2)CC1 ZINC000415383284 499890402 /nfs/dbraw/zinc/89/04/02/499890402.db2.gz BPLGDZDTDRXMPY-LJQANCHMSA-N 2 0 358.530 3.082 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)Nc1ccccc1C[NH2+]C)Cc1ccccc1 ZINC000415899054 499925976 /nfs/dbraw/zinc/92/59/76/499925976.db2.gz IQOOOZUNSZUGGE-FQEVSTJZSA-N 2 0 368.525 3.481 20 0 FGADRP C[NH2+]Cc1ccccc1NC(=O)NC[C@@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000415918252 499928217 /nfs/dbraw/zinc/92/82/17/499928217.db2.gz FRUUXFIUQNXYAR-NRFANRHFSA-N 2 0 366.509 3.438 20 0 FGADRP C[NH2+]Cc1cccc(NC(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)c1 ZINC000415926132 499929476 /nfs/dbraw/zinc/92/94/76/499929476.db2.gz CNYUQCWJTVEULY-FQEVSTJZSA-N 2 0 352.482 3.365 20 0 FGADRP C[NH2+]Cc1ccccc1NC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000415930020 499929619 /nfs/dbraw/zinc/92/96/19/499929619.db2.gz ZNHYUUIHQXVVRT-OXQOHEQNSA-N 2 0 352.482 3.048 20 0 FGADRP C[NH2+]Cc1cccc(NC(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)c1 ZINC000415928798 499929679 /nfs/dbraw/zinc/92/96/79/499929679.db2.gz IFOGOIYAVHNUQG-HXUWFJFHSA-N 2 0 352.482 3.365 20 0 FGADRP CC[NH2+]Cc1cccc(NC(=O)NC[C@@H](c2ccc(F)cc2)[NH+](C)C)c1 ZINC000415932891 499930215 /nfs/dbraw/zinc/93/02/15/499930215.db2.gz NHVDAGLXAKFUAG-IBGZPJMESA-N 2 0 358.461 3.360 20 0 FGADRP CC[NH2+]Cc1ccccc1NC(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000415936892 499930771 /nfs/dbraw/zinc/93/07/71/499930771.db2.gz XHLIDDVYFURTTH-IBGZPJMESA-N 2 0 366.509 3.440 20 0 FGADRP C[C@H](CCNC(=O)Nc1ccc(OCC[NH3+])cc1)[N@H+](C)Cc1ccccc1 ZINC000415940920 499931375 /nfs/dbraw/zinc/93/13/75/499931375.db2.gz VAWKHZAYZYRIMD-QGZVFWFLSA-N 2 0 370.497 3.056 20 0 FGADRP C[C@H]1CCCC[N@@H+]1CCNC(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000415965985 499934702 /nfs/dbraw/zinc/93/47/02/499934702.db2.gz FZXLZEIQINVGGU-LBPRGKRZSA-N 2 0 358.408 3.160 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)Nc1ccc2c(c1)C[NH2+]CCO2)CC(C)C ZINC000415967039 499934985 /nfs/dbraw/zinc/93/49/85/499934985.db2.gz CWGREYCRQZTARG-SFHVURJKSA-N 2 0 362.518 3.047 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)Nc1ccc(C[NH3+])cc1 ZINC000415981358 499937195 /nfs/dbraw/zinc/93/71/95/499937195.db2.gz VLXUUOCSFZQTPF-DLBZAZTESA-N 2 0 352.482 3.272 20 0 FGADRP C[NH2+]Cc1ccc(NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)cc1 ZINC000415984169 499937440 /nfs/dbraw/zinc/93/74/40/499937440.db2.gz OYCCYUJDRGJDKT-OXQOHEQNSA-N 2 0 352.482 3.191 20 0 FGADRP C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000415993966 499938789 /nfs/dbraw/zinc/93/87/89/499938789.db2.gz GRSYCRZLMVUABD-UHFFFAOYSA-N 2 0 374.435 3.164 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N[C@@H](CCC[NH3+])c1ccccc1 ZINC000417041318 499955747 /nfs/dbraw/zinc/95/57/47/499955747.db2.gz KZWXILWXSCFCMM-QUCCMNQESA-N 2 0 360.546 3.420 20 0 FGADRP CC[NH+](CC)CC1CCN(C(=O)CC[N@@H+]2CCc3ccccc3C2)CC1 ZINC000416142103 499956760 /nfs/dbraw/zinc/95/67/60/499956760.db2.gz FQZWDWANAMBOBF-UHFFFAOYSA-N 2 0 357.542 3.015 20 0 FGADRP COc1cccc([C@@H](C)[NH+]2CCN(Cc3ccc4c(c3)C[NH2+]CC4)CC2)c1 ZINC000570456369 506170989 /nfs/dbraw/zinc/17/09/89/506170989.db2.gz UZTJHNQEPFHWRI-GOSISDBHSA-N 2 0 365.521 3.220 20 0 FGADRP C[N@@H+]1CC[C@@]2(CC[NH+](C[C@H](O)Cn3c4ccccc4c4ccccc43)C2)C1 ZINC000429032852 499989760 /nfs/dbraw/zinc/98/97/60/499989760.db2.gz XXSLJDJJNRHJQW-FDDCHVKYSA-N 2 0 363.505 3.183 20 0 FGADRP CCCC[N@H+](C)C[C@H](C)NC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000579420157 506169074 /nfs/dbraw/zinc/16/90/74/506169074.db2.gz AXXDFXMHNGJWIA-SFHVURJKSA-N 2 0 360.546 3.202 20 0 FGADRP CCC[NH2+]CCNC(=O)NCc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000417211466 500006525 /nfs/dbraw/zinc/00/65/25/500006525.db2.gz DTRTZIPLCBHWDX-UHFFFAOYSA-N 2 0 360.546 3.250 20 0 FGADRP CC(C)[C@H]([NH3+])CNC(=O)NCc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000417215144 500007656 /nfs/dbraw/zinc/00/76/56/500007656.db2.gz HYKKSZXIZSWIFZ-HXUWFJFHSA-N 2 0 360.546 3.234 20 0 FGADRP C[C@H]([NH3+])c1ccc(CNC(=O)NCC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000417217063 500008080 /nfs/dbraw/zinc/00/80/80/500008080.db2.gz COOXEECJBYXTQB-ZACQAIPSSA-N 2 0 360.546 3.262 20 0 FGADRP C[NH+](C)C1CCC([NH2+]Cc2cn(-c3ccc(F)c(Cl)c3)nn2)CC1 ZINC000421369589 500030106 /nfs/dbraw/zinc/03/01/06/500030106.db2.gz IEXVICHKGTVPFP-UHFFFAOYSA-N 2 0 351.857 3.022 20 0 FGADRP COc1cc2[nH+]ccc(N[C@@H]3CC[N@H+](C)[C@@H](C)C3)c2cc1Br ZINC000425225412 500049538 /nfs/dbraw/zinc/04/95/38/500049538.db2.gz FVDRHQNUWRDGQY-NWDGAFQWSA-N 2 0 364.287 3.322 20 0 FGADRP CC[N@H+](C)Cc1cccc(CNC(=O)N[C@H](CCC[NH3+])c2ccccc2)c1 ZINC000417406581 500063836 /nfs/dbraw/zinc/06/38/36/500063836.db2.gz RQLATVLHMJURFP-OAQYLSRUSA-N 2 0 368.525 3.418 20 0 FGADRP Cc1ccc([C@@H](CNC(=O)NCc2ccc([C@H](C)[NH3+])cc2)[NH+]2CCCC2)o1 ZINC000417414678 500066705 /nfs/dbraw/zinc/06/67/05/500066705.db2.gz DJJRZJFPPXPDRZ-QFBILLFUSA-N 2 0 370.497 3.244 20 0 FGADRP CCC[NH+]1CCC([NH2+]C[C@@H](CO)Cc2ccc(Br)cc2)CC1 ZINC000429417181 500073900 /nfs/dbraw/zinc/07/39/00/500073900.db2.gz MVKAKFYQYXZDKM-INIZCTEOSA-N 2 0 369.347 3.064 20 0 FGADRP CC(C)(C)[NH+]1CCC([NH2+]C[C@@H]2CSCCN2Cc2ccccc2)CC1 ZINC000429437279 500078345 /nfs/dbraw/zinc/07/83/45/500078345.db2.gz NHDLMNAZJUYTHC-HXUWFJFHSA-N 2 0 361.599 3.457 20 0 FGADRP CC1CC[NH+](Cc2cccc(CNC(=O)NC[C@@H]3CCC[C@H]([NH3+])C3)c2)CC1 ZINC000417467559 500082030 /nfs/dbraw/zinc/08/20/30/500082030.db2.gz MFOOJRJXPOAPBM-CTNGQTDRSA-N 2 0 372.557 3.235 20 0 FGADRP CS[C@H]1CC[C@@H]1[NH2+]Cc1cc(C(F)(F)F)ccc1N1CC[NH+](C)CC1 ZINC000425360655 500084516 /nfs/dbraw/zinc/08/45/16/500084516.db2.gz SPGZUWAVPLQICD-RDJZCZTQSA-N 2 0 373.488 3.441 20 0 FGADRP CC(C)[C@@H](C(=O)Nc1ccc(OCC[NH+](C)C)cc1F)[NH+]1CCCCC1 ZINC000413906314 500092801 /nfs/dbraw/zinc/09/28/01/500092801.db2.gz YBMDGXAOYRTADL-IBGZPJMESA-N 2 0 365.493 3.215 20 0 FGADRP C[N@@H+](Cc1ccccc1)CC1CC[NH+]([C@H]2CCN(C(C)(C)C)C2=O)CC1 ZINC000425400048 500094793 /nfs/dbraw/zinc/09/47/93/500094793.db2.gz XHJTXRJPSNOKFB-FQEVSTJZSA-N 2 0 357.542 3.230 20 0 FGADRP [NH3+]C1(CNC(=O)NC2CC[NH+](Cc3ccccc3)CC2)CCCCCC1 ZINC000416793235 500122874 /nfs/dbraw/zinc/12/28/74/500122874.db2.gz NIYNYOOXPVNFEH-UHFFFAOYSA-N 2 0 358.530 3.002 20 0 FGADRP CC[NH2+]CC1CCN(C(=O)NC[C@@H](c2ccccc2)[NH+](CC)CC)CC1 ZINC000416839911 500134776 /nfs/dbraw/zinc/13/47/76/500134776.db2.gz KPUMQZXOZSUHEA-FQEVSTJZSA-N 2 0 360.546 3.101 20 0 FGADRP COc1ccc([C@@H](C)[NH2+]CCCN2CCN(c3cc[nH+]cc3)CC2)c(C)c1 ZINC000414075685 500146458 /nfs/dbraw/zinc/14/64/58/500146458.db2.gz OCVMWTQZLZZCIG-LJQANCHMSA-N 2 0 368.525 3.262 20 0 FGADRP CCCC[C@H](C[NH3+])NC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000416882236 500147014 /nfs/dbraw/zinc/14/70/14/500147014.db2.gz HWCCJWXGPOVZJL-GOSISDBHSA-N 2 0 366.937 3.121 20 0 FGADRP C[NH+](C)Cc1ccc(CNC(=O)N[C@@H](CCC[NH3+])c2ccccc2)cc1 ZINC000416893126 500149415 /nfs/dbraw/zinc/14/94/15/500149415.db2.gz RFKBFAZWENWVFD-FQEVSTJZSA-N 2 0 354.498 3.028 20 0 FGADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000417690765 500149648 /nfs/dbraw/zinc/14/96/48/500149648.db2.gz LRPFDIWMAKDHMU-FXAWDEMLSA-N 2 0 360.546 3.227 20 0 FGADRP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000417693507 500150527 /nfs/dbraw/zinc/15/05/27/500150527.db2.gz QKYOFVACBREGJU-XVSDAANHSA-N 2 0 370.541 3.136 20 0 FGADRP C[C@H]([NH2+]C1(CNC(=O)NC[C@@]2(C)CCC[NH2+]C2)CCCC1)c1ccccc1 ZINC000417710027 500153869 /nfs/dbraw/zinc/15/38/69/500153869.db2.gz UBYMDYYONOIYNC-RXVVDRJESA-N 2 0 372.557 3.339 20 0 FGADRP C[C@H]([NH2+]C1(CNC(=O)N(C)CC(C)(C)C[NH3+])CCCC1)c1ccccc1 ZINC000417712007 500154780 /nfs/dbraw/zinc/15/47/80/500154780.db2.gz WNTRHZLINGGIER-KRWDZBQOSA-N 2 0 360.546 3.276 20 0 FGADRP COc1ccc([C@@H]([NH2+]C[C@@H](C(C)C)N2CC[NH+](C)CC2)C(C)C)c(F)c1 ZINC000421822605 500159879 /nfs/dbraw/zinc/15/98/79/500159879.db2.gz XJNAPCWTXUIYOD-SFTDATJTSA-N 2 0 365.537 3.393 20 0 FGADRP COc1ccc([C@H]([NH2+]C[C@@H](C)CN2CC[NH+](C)CC2)C(C)C)c(F)c1 ZINC000421825523 500160210 /nfs/dbraw/zinc/16/02/10/500160210.db2.gz OARNBTCGJLTUJA-OXQOHEQNSA-N 2 0 351.510 3.005 20 0 FGADRP C[N@@H+]1C[C@@H]2CCCN(C(=O)Nc3ccc(CC[NH+]4CCCCC4)cc3)[C@@H]2C1 ZINC000425634735 500165589 /nfs/dbraw/zinc/16/55/89/500165589.db2.gz OKZCAZXAPHIKIC-PZJWPPBQSA-N 2 0 370.541 3.273 20 0 FGADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000416968840 500169545 /nfs/dbraw/zinc/16/95/45/500169545.db2.gz ATZWMJXJPPOOJM-WMQCIHAUSA-N 2 0 370.541 3.097 20 0 FGADRP CCCN(C(=O)NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1)[C@H]1CC[NH2+]C1 ZINC000416970122 500169974 /nfs/dbraw/zinc/16/99/74/500169974.db2.gz MTONODFEDALZRC-RXVVDRJESA-N 2 0 372.557 3.202 20 0 FGADRP CC(C)[NH+](CCCNC(=O)N1CCCC[C@H]1[C@H]1CCC[NH2+]C1)C(C)C ZINC000417800363 500174124 /nfs/dbraw/zinc/17/41/24/500174124.db2.gz SLJJOZIMVMIRRQ-OALUTQOASA-N 2 0 352.567 3.059 20 0 FGADRP CC[NH+](CC)Cc1cccc(CNC(=O)NCc2ccc3c(c2)C[NH2+]C3)c1 ZINC000416982286 500174492 /nfs/dbraw/zinc/17/44/92/500174492.db2.gz MCZVZCKSZDJMGB-UHFFFAOYSA-N 2 0 366.509 3.131 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)N[C@@H]3CC[C@@H](C[NH3+])C3)cc2)C1 ZINC000416981253 500174591 /nfs/dbraw/zinc/17/45/91/500174591.db2.gz CJUPXXORYHYPDX-HRQSHJORSA-N 2 0 372.557 3.091 20 0 FGADRP CCCN(C(=O)NCC[C@H](C)[N@H+](C)Cc1ccccc1)C1CC[NH2+]CC1 ZINC000417808522 500176592 /nfs/dbraw/zinc/17/65/92/500176592.db2.gz FNRINXSTDAMFKQ-SFHVURJKSA-N 2 0 360.546 3.071 20 0 FGADRP CC[NH+](CC)Cc1cccc(CNC(=O)N(CC[NH3+])Cc2ccccc2)c1 ZINC000416989616 500176827 /nfs/dbraw/zinc/17/68/27/500176827.db2.gz VRPFIMDDIJVQCH-UHFFFAOYSA-N 2 0 368.525 3.199 20 0 FGADRP CCCN(C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)C1CC[NH2+]CC1 ZINC000417826351 500179569 /nfs/dbraw/zinc/17/95/69/500179569.db2.gz CECLRQHSPDETAW-UYAOXDASSA-N 2 0 372.557 3.213 20 0 FGADRP CCCN(C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)C1CC[NH2+]CC1 ZINC000417826344 500179935 /nfs/dbraw/zinc/17/99/35/500179935.db2.gz CECLRQHSPDETAW-AZUAARDMSA-N 2 0 372.557 3.213 20 0 FGADRP C[NH2+][C@H](CC(C)(C)C)C(=O)N1CCCC[C@@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000417841527 500182004 /nfs/dbraw/zinc/18/20/04/500182004.db2.gz XMNWFXPYAKTXFP-XUVXKRRUSA-N 2 0 359.558 3.209 20 0 FGADRP [NH3+]CCC[C@H](NC(=O)c1ccc2c(ccn2CCC[NH3+])c1)c1ccccc1 ZINC000417845693 500182367 /nfs/dbraw/zinc/18/23/67/500182367.db2.gz XXVXBUNXOGHCPF-FQEVSTJZSA-N 2 0 364.493 3.200 20 0 FGADRP C[NH2+]CCC1CCN(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000417843038 500182490 /nfs/dbraw/zinc/18/24/90/500182490.db2.gz QDEREZIVFKRAMQ-NQIIRXRSSA-N 2 0 372.557 3.071 20 0 FGADRP C[N@H+](CCCNC(=O)N1CCC([C@@H]2[NH2+]CC2(C)C)CC1)C1CCCCC1 ZINC000417009350 500183476 /nfs/dbraw/zinc/18/34/76/500183476.db2.gz KGXZEPHWVPMXRM-IBGZPJMESA-N 2 0 364.578 3.061 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)N(C)CC[C@@H]([NH3+])C(C)C)c1ccsc1 ZINC000417012142 500184089 /nfs/dbraw/zinc/18/40/89/500184089.db2.gz VWFIMAWVMINTGK-SJORKVTESA-N 2 0 354.564 3.146 20 0 FGADRP C[NH2+][C@@H]1CCCN(C(=O)NC[C@H](CC(C)C)[NH2+][C@H](C)c2ccccc2)C1 ZINC000417866138 500187254 /nfs/dbraw/zinc/18/72/54/500187254.db2.gz DCSGAMABXKCUGM-RLLQIKCJSA-N 2 0 360.546 3.145 20 0 FGADRP CCCC[N@H+](CC)Cc1cccc(CNC(=O)N(C2CC2)[C@H]2CC[NH2+]C2)c1 ZINC000417873845 500188537 /nfs/dbraw/zinc/18/85/37/500188537.db2.gz JJZYCIXVBUTIPH-NRFANRHFSA-N 2 0 372.557 3.345 20 0 FGADRP CCCC[N@H+](CC)Cc1cccc(CNC(=O)N2C[C@H]3C[NH2+]CC[C@@H]3C2)c1 ZINC000417873353 500188751 /nfs/dbraw/zinc/18/87/51/500188751.db2.gz JDYSUQLTWOKMDE-NHCUHLMSSA-N 2 0 372.557 3.060 20 0 FGADRP CCCC[N@H+](CC)Cc1cccc(CNC(=O)N[C@H]2CC[C@@H](C[NH3+])C2)c1 ZINC000417874416 500189448 /nfs/dbraw/zinc/18/94/48/500189448.db2.gz KDYHKPABIZCBKW-XLIONFOSSA-N 2 0 360.546 3.235 20 0 FGADRP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)NC1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC000417888224 500192615 /nfs/dbraw/zinc/19/26/15/500192615.db2.gz IRUMWEBWYUWHJB-XSYGEPLQSA-N 2 0 372.557 3.054 20 0 FGADRP CC1(C)C[C@H]([NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)CO1 ZINC000418071385 500225650 /nfs/dbraw/zinc/22/56/50/500225650.db2.gz WGGBRVSTPMUMQP-PMACEKPBSA-N 2 0 358.526 3.072 20 0 FGADRP C[NH+](C)CCN(CCCc1ccccc1)C(=O)NC1CCC([NH+](C)C)CC1 ZINC000422244178 500240395 /nfs/dbraw/zinc/24/03/95/500240395.db2.gz KEWUTVNSUROKMM-UHFFFAOYSA-N 2 0 374.573 3.065 20 0 FGADRP CCC[N@H+](C)[C@@H](CNC(=O)NC[C@@H]1CCC[NH2+]C1)c1ccc(Cl)cc1 ZINC000418179582 500243572 /nfs/dbraw/zinc/24/35/72/500243572.db2.gz JNJGACBGSKTACB-QAPCUYQASA-N 2 0 366.937 3.022 20 0 FGADRP C[C@H]([NH3+])c1ccc(CNC(=O)N[C@@H](C)[C@H](c2ccccc2)[NH+](C)C)cc1 ZINC000418188931 500245824 /nfs/dbraw/zinc/24/58/24/500245824.db2.gz UYIAZZAJSVDYKA-TWOQFEAHSA-N 2 0 354.498 3.197 20 0 FGADRP CCC[N@H+](C)[C@H](CNC(=O)N[C@@H]1CC[NH2+]C[C@@H]1C)c1ccc(Cl)cc1 ZINC000418192320 500246695 /nfs/dbraw/zinc/24/66/95/500246695.db2.gz YKJIOCBNUKERQJ-BMGDILEWSA-N 2 0 366.937 3.020 20 0 FGADRP CCc1ccc([C@H](CNC(=O)N[C@H]2CC[NH2+][C@H](C)C2)[NH+](CC)CC)cc1 ZINC000418218230 500251036 /nfs/dbraw/zinc/25/10/36/500251036.db2.gz QKYFGIZMRXCOSS-UXPWSPDFSA-N 2 0 360.546 3.072 20 0 FGADRP CC[NH2+]CC1CC[NH+](CC(=O)N[C@@H](c2ccccc2)C2CCCC2)CC1 ZINC000430584027 500258500 /nfs/dbraw/zinc/25/85/00/500258500.db2.gz NVSJOGWDLDBCID-QFIPXVFZSA-N 2 0 357.542 3.356 20 0 FGADRP CC(C)c1ccc([C@H]([NH3+])CNC(=O)N2CC[C@@H](C[N@H+](C)CC3CC3)C2)cc1 ZINC000418317788 500261153 /nfs/dbraw/zinc/26/11/53/500261153.db2.gz BCXFPYDJLBEMDZ-GHTZIAJQSA-N 2 0 372.557 3.183 20 0 FGADRP CC(C)c1ccc([C@@H]([NH3+])CNC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)cc1 ZINC000418336718 500263981 /nfs/dbraw/zinc/26/39/81/500263981.db2.gz XHLAFBNXWJNODP-HKBOAZHASA-N 2 0 372.557 3.467 20 0 FGADRP CC(C)c1ccc([C@H]([NH3+])CNC(=O)N2CC[C@@H]([NH+]3CCCC3)[C@H]2C)cc1 ZINC000418345515 500265823 /nfs/dbraw/zinc/26/58/23/500265823.db2.gz HIRLBFSNCUSQEO-NSISKUIASA-N 2 0 358.530 3.078 20 0 FGADRP C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)NCC[C@@H]2CCC[NH2+]C2)CC1 ZINC000418356045 500267450 /nfs/dbraw/zinc/26/74/50/500267450.db2.gz XLAWVEADUYSERN-ICSRJNTNSA-N 2 0 364.578 3.062 20 0 FGADRP CC[NH+](CC)CC1CCN(C(=O)c2ccc3c(ccn3CCC[NH3+])c2)CC1 ZINC000430687219 500270088 /nfs/dbraw/zinc/27/00/88/500270088.db2.gz PWHKCYINEKNMJZ-UHFFFAOYSA-N 2 0 370.541 3.184 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)N[C@@H](C[NH3+])C2CCCCC2)C1 ZINC000418379463 500270286 /nfs/dbraw/zinc/27/02/86/500270286.db2.gz KNCYDHCBICJOFN-GGPKGHCWSA-N 2 0 364.578 3.190 20 0 FGADRP CC(C)C[C@H](C[NH3+])NC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000418409477 500273387 /nfs/dbraw/zinc/27/33/87/500273387.db2.gz AIESOVRXSNWKAR-MISYRCLQSA-N 2 0 360.546 3.054 20 0 FGADRP CCCC[C@H](C[NH3+])NC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000418456959 500278821 /nfs/dbraw/zinc/27/88/21/500278821.db2.gz DEQYNNLALYGQHD-HBMCJLEFSA-N 2 0 372.557 3.200 20 0 FGADRP C[C@@H]([NH3+])c1ccc(CNC(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2)cc1 ZINC000418461003 500279609 /nfs/dbraw/zinc/27/96/09/500279609.db2.gz LGDIIJMCYZHYAW-MRXNPFEDSA-N 2 0 372.488 3.119 20 0 FGADRP C[C@H]([NH3+])c1ccc(CNC(=O)N2CC[NH+](C3CCC(C)CC3)CC2)cc1 ZINC000418458967 500279672 /nfs/dbraw/zinc/27/96/72/500279672.db2.gz IGXRWBXCNOGFAH-GNZRSQJKSA-N 2 0 358.530 3.112 20 0 FGADRP CCOC(=O)C1([C@@H](C)[NH2+]CC(C)(C)c2ccc(F)cc2)CC[NH2+]CC1 ZINC000422702660 500287737 /nfs/dbraw/zinc/28/77/37/500287737.db2.gz FQFCECKJRCZZCC-OAHLLOKOSA-N 2 0 350.478 3.014 20 0 FGADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+][C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000422713716 500288737 /nfs/dbraw/zinc/28/87/37/500288737.db2.gz PZAMXJCISZHAGK-USXIJHARSA-N 2 0 352.320 3.277 20 0 FGADRP COCC[N@H+](C)CC[C@H](N[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000422719920 500289138 /nfs/dbraw/zinc/28/91/38/500289138.db2.gz RQDAAQSGHGNCLW-CIAFKFPVSA-N 2 0 359.558 3.206 20 0 FGADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000422717783 500289178 /nfs/dbraw/zinc/28/91/78/500289178.db2.gz PDZAWJOVPGVOFB-FXAWDEMLSA-N 3 0 352.526 3.064 20 0 FGADRP c1ccc(C[NH+]2CCCCCC2)c(C[NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000422720414 500290163 /nfs/dbraw/zinc/29/01/63/500290163.db2.gz ZKSHFBICUSPPRT-RJGXRXQPSA-N 3 0 371.569 3.309 20 0 FGADRP C[N@H+](Cc1ccccc1C[NH2+][C@H](C1CC1)[C@@H]1CNCCO1)C1CCCCC1 ZINC000422727684 500291022 /nfs/dbraw/zinc/29/10/22/500291022.db2.gz DBUWVZOKMZWEHW-XZOQPEGZSA-N 2 0 371.569 3.308 20 0 FGADRP CCCCN1CCCC[C@@H]1C[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422739823 500292155 /nfs/dbraw/zinc/29/21/55/500292155.db2.gz LXOYWDHRNHOLGP-CBQOVEMMSA-N 2 0 357.542 3.487 20 0 FGADRP CCN(CC)[C@H](C[NH2+][C@@H]1CCOC[C@@H]1[C@@H](C)[NH3+])c1ccccc1Cl ZINC000422741411 500293082 /nfs/dbraw/zinc/29/30/82/500293082.db2.gz DLFLRTCYRIYUIH-YCEFEEMOSA-N 2 0 353.938 3.065 20 0 FGADRP COC[C@H](CCC[NH3+])[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000422763506 500295153 /nfs/dbraw/zinc/29/51/53/500295153.db2.gz JDAJUQBKPLLOQP-FQEVSTJZSA-N 2 0 364.493 3.383 20 0 FGADRP COc1cccc([C@H](CN[C@H](Cc2ccccc2)[C@H](C)[NH3+])[NH+]2CCCC2)c1 ZINC000422763050 500295396 /nfs/dbraw/zinc/29/53/96/500295396.db2.gz OKOAMFISYNKOAO-NMNUPHIUSA-N 2 0 367.537 3.380 20 0 FGADRP C[C@H]([NH2+]C1(CN[C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)CCCC1)c1ccccc1 ZINC000422771536 500296118 /nfs/dbraw/zinc/29/61/18/500296118.db2.gz VWDBHUIARCOUHG-JKLQHZFJSA-N 2 0 371.569 3.397 20 0 FGADRP CCOC(=O)C1([C@@H](C)[NH2+]Cc2ccccc2C(F)(F)F)CC[NH2+]CC1 ZINC000422782898 500297169 /nfs/dbraw/zinc/29/71/69/500297169.db2.gz NQPIRNHVJWPMMR-CYBMUJFWSA-N 2 0 358.404 3.116 20 0 FGADRP c1sc(-c2ccccc2)nc1CC[NH2+][C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC000422784354 500297699 /nfs/dbraw/zinc/29/76/99/500297699.db2.gz LWGHBJYMSVPRKP-IPMKNSEASA-N 2 0 357.523 3.099 20 0 FGADRP Cc1ccc([C@@H]([NH2+]C2CCC([NH3+])CC2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000422800150 500299593 /nfs/dbraw/zinc/29/95/93/500299593.db2.gz ZGSIODRZORJZPA-GZNCHQMQSA-N 2 0 372.534 3.347 20 0 FGADRP C[N@H+](CCCN[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)C1CCCCC1 ZINC000422804122 500300464 /nfs/dbraw/zinc/30/04/64/500300464.db2.gz KBAWXJLYWCNFMK-UNMCSNQZSA-N 2 0 357.542 3.487 20 0 FGADRP Cc1cccc(N2CC[NH+](CCCC[NH2+][C@@H]3CCCCC[C@@H]3[NH3+])CC2)c1 ZINC000422815500 500302065 /nfs/dbraw/zinc/30/20/65/500302065.db2.gz XRLRVWBLXMYAQN-FCHUYYIVSA-N 3 0 358.574 3.147 20 0 FGADRP COc1cc(Cl)c(C)cc1NC(=O)CC[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000422826954 500302493 /nfs/dbraw/zinc/30/24/93/500302493.db2.gz RRBLLRBVHHOEQH-ZFWWWQNUSA-N 2 0 353.894 3.093 20 0 FGADRP CCc1ccccc1[C@@H]([NH3+])CNC(=O)N[C@H](CCC[NH3+])c1ccccc1 ZINC000418656970 500302523 /nfs/dbraw/zinc/30/25/23/500302523.db2.gz TVWLVIYMHFHUFO-VQTJNVASSA-N 2 0 354.498 3.028 20 0 FGADRP CC[C@H](C[NH2+][C@@H]1CCOC[C@H]1[C@H](C)[NH3+])Oc1cccc(C(F)(F)F)c1 ZINC000422841077 500304322 /nfs/dbraw/zinc/30/43/22/500304322.db2.gz VDNHBYDQZFHJCD-JSQNDZKTSA-N 2 0 360.420 3.205 20 0 FGADRP C[C@H](CCC[NH3+])[NH2+]Cc1ccccc1C[NH+]1CCN(c2ccccc2)CC1 ZINC000422844010 500304798 /nfs/dbraw/zinc/30/47/98/500304798.db2.gz KOGVUBHTHLEVIV-HXUWFJFHSA-N 3 0 366.553 3.226 20 0 FGADRP C[C@@H]1C[C@H](NC(=O)[C@H]2CCCCCC[C@H]2[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000430910739 500305401 /nfs/dbraw/zinc/30/54/01/500305401.db2.gz XJHOCHLDPSYLMW-AYWYSENESA-N 2 0 357.542 3.453 20 0 FGADRP FC(F)(F)COc1cc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)ccn1 ZINC000422853420 500306143 /nfs/dbraw/zinc/30/61/43/500306143.db2.gz BTCISCHFHHAHKD-OWCLPIDISA-N 2 0 357.420 3.423 20 0 FGADRP C[C@@H]([NH3+])C1CC[NH+](CC(=O)N[C@@H](Cc2ccccc2)c2ccccc2)CC1 ZINC000430925481 500307637 /nfs/dbraw/zinc/30/76/37/500307637.db2.gz LWNPVFGREBZCMD-GCJKJVERSA-N 2 0 365.521 3.146 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422874442 500308848 /nfs/dbraw/zinc/30/88/48/500308848.db2.gz CYKHHVPDBSTDMA-SYYKKAFVSA-N 3 0 357.542 3.487 20 0 FGADRP CCCN(C(=O)N[C@H](C)CCC[NH3+])[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000418694618 500309149 /nfs/dbraw/zinc/30/91/49/500309149.db2.gz WAOLXMUNMKOINO-QUCCMNQESA-N 2 0 360.546 3.200 20 0 FGADRP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)N[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422878226 500309727 /nfs/dbraw/zinc/30/97/27/500309727.db2.gz JPVQZBSQVBDNNW-JAZLEBMFSA-N 2 0 357.542 3.198 20 0 FGADRP CCOC(=O)C1([C@@H](C)[NH2+]Cc2cc(C)ccc2OC(F)F)CC[NH2+]CC1 ZINC000422878804 500309799 /nfs/dbraw/zinc/30/97/99/500309799.db2.gz UJCRRTGRVDEWDA-CQSZACIVSA-N 2 0 370.440 3.007 20 0 FGADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]CC(C)(C)c1ccc(Br)cc1 ZINC000422884609 500310299 /nfs/dbraw/zinc/31/02/99/500310299.db2.gz SEAKFMFAPBMILL-VBNZEHGJSA-N 2 0 355.320 3.069 20 0 FGADRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C1CCC(C(=O)N2CCSCC2)CC1 ZINC000422885496 500310583 /nfs/dbraw/zinc/31/05/83/500310583.db2.gz YXEJLSVHBOQSQJ-RGVPCPSESA-N 2 0 367.603 3.021 20 0 FGADRP CCOC(=O)C1([C@@H](C)[NH2+]CCCc2c[nH]c3ccccc23)CC[NH2+]CC1 ZINC000422890981 500311580 /nfs/dbraw/zinc/31/15/80/500311580.db2.gz UFCMQYYDHOGXCP-MRXNPFEDSA-N 2 0 357.498 3.012 20 0 FGADRP C[C@@H]([NH3+])C1CC[NH+](CC(=O)N(C)Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000430950939 500312245 /nfs/dbraw/zinc/31/22/45/500312245.db2.gz SVNNLJHQQWRADQ-GFCCVEGCSA-N 2 0 358.313 3.011 20 0 FGADRP C[C@H]([NH2+]C[C@H]1CCN(c2cccc(Br)c2)C1)[C@H]1CCCC[NH2+]1 ZINC000422903516 500313986 /nfs/dbraw/zinc/31/39/86/500313986.db2.gz WHPITGQNKUDPSX-HDMKZQKVSA-N 2 0 366.347 3.396 20 0 FGADRP C[C@@H]1C[C@H](N(C)C(=O)NC[C@H]2CCC[C@@H]([NH3+])C2)CC[N@@H+]1Cc1ccccc1 ZINC000418733432 500314541 /nfs/dbraw/zinc/31/45/41/500314541.db2.gz KXVFFKUYYSFCKG-GFOJFJKKSA-N 2 0 372.557 3.198 20 0 FGADRP [NH3+][C@H]1C[C@@H](NCc2ccc(OCC[NH+]3CCCC3)cc2)c2ccccc21 ZINC000422908938 500315579 /nfs/dbraw/zinc/31/55/79/500315579.db2.gz DXZGFSJKPZGWCR-FCHUYYIVSA-N 2 0 351.494 3.396 20 0 FGADRP c1sc(CC[NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)nc1C1CCCCC1 ZINC000422913804 500316217 /nfs/dbraw/zinc/31/62/17/500316217.db2.gz QTKYNOKHFFLKSP-FGTMMUONSA-N 2 0 363.571 3.480 20 0 FGADRP c1sc(CC[NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)nc1C1CCCCC1 ZINC000422913805 500316288 /nfs/dbraw/zinc/31/62/88/500316288.db2.gz QTKYNOKHFFLKSP-KZNAEPCWSA-N 2 0 363.571 3.480 20 0 FGADRP CCOC(=O)C1([C@@H](C)[NH2+]C[C@H](C)Oc2ccccc2Cl)CC[NH2+]CC1 ZINC000422919973 500316673 /nfs/dbraw/zinc/31/66/73/500316673.db2.gz LGLQBKBCDJTGJH-LSDHHAIUSA-N 2 0 368.905 3.018 20 0 FGADRP C[C@H](CCCC[NH3+])[NH2+][C@@H](Cc1ccccc1)C(=O)N(C)c1ccccc1 ZINC000422919995 500316947 /nfs/dbraw/zinc/31/69/47/500316947.db2.gz LKGYGXGEFNFHEJ-NQIIRXRSSA-N 2 0 353.510 3.368 20 0 FGADRP COc1ccccc1SC[C@H](C)C[NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000422940567 500320653 /nfs/dbraw/zinc/32/06/53/500320653.db2.gz HBRYPOXSICGMPO-BRSBDYLESA-N 2 0 364.555 3.170 20 0 FGADRP CCOC(=O)C1([C@@H](C)[NH2+]CCc2ccc3ccccc3c2)CC[NH2+]CC1 ZINC000422947713 500321922 /nfs/dbraw/zinc/32/19/22/500321922.db2.gz RAHUUTLCWWAJDX-QGZVFWFLSA-N 2 0 354.494 3.293 20 0 FGADRP O=C(C[NH+]1CCC2(CC[NH2+]C2)CC1)N(c1ccccc1)C1CCCCC1 ZINC000431013656 500323056 /nfs/dbraw/zinc/32/30/56/500323056.db2.gz JYUMOXZBNZZUPL-UHFFFAOYSA-N 2 0 355.526 3.428 20 0 FGADRP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@@H]2[NH2+]CCc1nc2c(s1)CCCC2 ZINC000422955340 500323434 /nfs/dbraw/zinc/32/34/34/500323434.db2.gz LWMZUSSEFDODBT-LAUBAEHRSA-N 2 0 369.534 3.410 20 0 FGADRP O=C1C[C@H]([NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)CN1c1ccccc1Cl ZINC000422960545 500323750 /nfs/dbraw/zinc/32/37/50/500323750.db2.gz WVLBCYXYSWHGNA-CWLKWCNXSA-N 2 0 361.917 3.346 20 0 FGADRP C[NH+](C)C1CCN(c2ccc(N[C@@H]3CCC[C@@H]3[C@H]3CCCC[NH2+]3)nc2)CC1 ZINC000422958037 500323949 /nfs/dbraw/zinc/32/39/49/500323949.db2.gz WUAWNCHLDBYODE-NJDAHSKKSA-N 2 0 371.573 3.335 20 0 FGADRP C[NH+](C)C1CCN(c2ccc(N[C@@H]3CCC[C@H]3[C@H]3CCCC[NH2+]3)nc2)CC1 ZINC000422958039 500324021 /nfs/dbraw/zinc/32/40/21/500324021.db2.gz WUAWNCHLDBYODE-PWRODBHTSA-N 2 0 371.573 3.335 20 0 FGADRP COc1cc([C@H](C)[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)ccc1OCCO ZINC000422970084 500325251 /nfs/dbraw/zinc/32/52/51/500325251.db2.gz FGORKKBKKZFMDG-JCHJZTRSSA-N 2 0 362.514 3.028 20 0 FGADRP COc1cc([C@H](C)[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)ccc1OCCO ZINC000422970083 500325438 /nfs/dbraw/zinc/32/54/38/500325438.db2.gz FGORKKBKKZFMDG-GDAAHCPNSA-N 2 0 362.514 3.028 20 0 FGADRP OCCC[C@H]([NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1ccccc1 ZINC000422979092 500326803 /nfs/dbraw/zinc/32/68/03/500326803.db2.gz LGJKPDJKDLRMIQ-ONTIZHBOSA-N 2 0 352.478 3.346 20 0 FGADRP C[C@H](C(=O)N[C@@H](C)c1cc2ccccc2o1)[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000431040500 500326962 /nfs/dbraw/zinc/32/69/62/500326962.db2.gz MZBIIJGYBDMROB-JKSUJKDBSA-N 2 0 355.482 3.074 20 0 FGADRP O=C(CC[NH+]1CCC2(CC[NH2+]C2)CC1)Nc1cc(Cl)ccc1Cl ZINC000431041545 500327531 /nfs/dbraw/zinc/32/75/31/500327531.db2.gz VWEGMJVWBZKJNU-UHFFFAOYSA-N 2 0 356.297 3.398 20 0 FGADRP CCOc1cccc(CC[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000422995409 500328394 /nfs/dbraw/zinc/32/83/94/500328394.db2.gz KCFCYBZQTCEQMD-UNMCSNQZSA-N 2 0 352.478 3.473 20 0 FGADRP CCC1(C[NH2+][C@H](C2CC2)[C@@H]2CNCCO2)CC[NH+](Cc2ccccc2)CC1 ZINC000423003900 500329962 /nfs/dbraw/zinc/32/99/62/500329962.db2.gz NOKXYMVRZJKALB-FCHUYYIVSA-N 2 0 371.569 3.035 20 0 FGADRP CCOC(=O)C1([C@H](C)[NH2+][C@@H](c2ccc(F)c(C)c2)C2CC2)CC[NH2+]CC1 ZINC000423012416 500330677 /nfs/dbraw/zinc/33/06/77/500330677.db2.gz KUTHTQORIGKNLN-HNAYVOBHSA-N 2 0 362.489 3.496 20 0 FGADRP CCN1CC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000423012674 500331184 /nfs/dbraw/zinc/33/11/84/500331184.db2.gz DMFYFIGKOZGKIZ-YHMUCNAFSA-N 2 0 351.897 3.487 20 0 FGADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C[C@H](C)c1nc(-c2ccccc2)no1 ZINC000423018776 500331876 /nfs/dbraw/zinc/33/18/76/500331876.db2.gz ZSJIHLABNUNJHK-UONOGXRCSA-N 2 0 351.454 3.353 20 0 FGADRP COC[C@@H](CCC[NH3+])[NH2+]C1CCN(Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000423029853 500332943 /nfs/dbraw/zinc/33/29/43/500332943.db2.gz IUWIFRMITOTOHU-GOSISDBHSA-N 2 0 374.356 3.301 20 0 FGADRP Cc1cc(NC(=O)[C@H]2CCC[N@@H+]2C2CC2)ccc1OCC[NH+]1CCCC1 ZINC000426891917 500334234 /nfs/dbraw/zinc/33/42/34/500334234.db2.gz SBMUUGOYESQSNP-LJQANCHMSA-N 2 0 357.498 3.035 20 0 FGADRP COC(=O)c1csc(-c2cccc(C[NH2+][C@@H]3CCCC[C@@H]3C[NH3+])c2)n1 ZINC000423080921 500339911 /nfs/dbraw/zinc/33/99/11/500339911.db2.gz UAHIBGCPTYOQED-HZPDHXFCSA-N 2 0 359.495 3.204 20 0 FGADRP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CCCCn1cc(Br)cn1 ZINC000423086522 500340221 /nfs/dbraw/zinc/34/02/21/500340221.db2.gz NLIVSRDBTGVUFU-GOEBONIOSA-N 2 0 357.340 3.326 20 0 FGADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1ccc(I)c(Cl)c1 ZINC000423117655 500344442 /nfs/dbraw/zinc/34/44/42/500344442.db2.gz WKXVGFNWCVSHFX-RKDXNWHRSA-N 2 0 352.647 3.160 20 0 FGADRP [NH3+][C@H]1C[C@@H]([NH2+]C2CCN(C(=O)c3cc(Cl)c[nH]3)CC2)c2ccccc21 ZINC000423115660 500344848 /nfs/dbraw/zinc/34/48/48/500344848.db2.gz YFYCIPNIVGGIJU-DLBZAZTESA-N 2 0 358.873 3.007 20 0 FGADRP CC(C)C[C@@H](CN1CCCC1)[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423144503 500347879 /nfs/dbraw/zinc/34/78/79/500347879.db2.gz HGPIPTOWTZLDOS-CZTZKLFOSA-N 3 0 357.542 3.342 20 0 FGADRP Fc1ccccc1-c1nc2c(s1)[C@H]([NH2+]CCCN1CC[NH2+]CC1)CCC2 ZINC000423176148 500352159 /nfs/dbraw/zinc/35/21/59/500352159.db2.gz GHSCDEDQNDFKQL-QGZVFWFLSA-N 2 0 374.529 3.212 20 0 FGADRP Clc1cc(Br)cc(C[NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)c1 ZINC000423195369 500354318 /nfs/dbraw/zinc/35/43/18/500354318.db2.gz XVYKWQMMMJXHQS-ARFHVFGLSA-N 2 0 373.722 3.349 20 0 FGADRP CCc1ccc([C@H](CN2CCOCC2)[NH2+]Cc2ccc([C@H](C)[NH3+])cc2)cc1 ZINC000423292339 500361979 /nfs/dbraw/zinc/36/19/79/500361979.db2.gz MPLSISIUIJNRHM-MBSDFSHPSA-N 2 0 367.537 3.432 20 0 FGADRP CC(C)[C@@H](C(=O)NC[C@H](c1cccs1)[NH+]1CCC(C)CC1)[C@@H](C)[NH3+] ZINC000423311224 500363284 /nfs/dbraw/zinc/36/32/84/500363284.db2.gz SZIZUJBUPFMYQA-JFIYKMOQSA-N 2 0 351.560 3.257 20 0 FGADRP C[C@@H](CCc1ccc(I)cc1)[NH2+]CC1([NH3+])CCC1 ZINC000423320467 500364036 /nfs/dbraw/zinc/36/40/36/500364036.db2.gz GKQFBGBRIQLGJO-LBPRGKRZSA-N 2 0 358.267 3.083 20 0 FGADRP Cc1ccc([C@@H](CNC(=O)C(C)(C)[C@H]([NH3+])c2ccccc2)[NH+](C)C)cc1 ZINC000423347991 500366324 /nfs/dbraw/zinc/36/63/24/500366324.db2.gz RPLWDZJQJKJKDC-WOJBJXKFSA-N 2 0 353.510 3.440 20 0 FGADRP CC(C)n1ccc(C[C@@H](C)[NH2+][C@@H]2CNCC[C@H]2c2ccc(F)c(F)c2)n1 ZINC000423372007 500367944 /nfs/dbraw/zinc/36/79/44/500367944.db2.gz QTJIBYWJDNIYDI-CFLQYTFWSA-N 2 0 362.468 3.409 20 0 FGADRP C[C@@H](CCc1ccc(I)cc1)[NH2+][C@H]1CC[NH2+][C@H](C)C1 ZINC000423388085 500369605 /nfs/dbraw/zinc/36/96/05/500369605.db2.gz SXRDBLKNSCKRAF-ZENOOKHLSA-N 2 0 372.294 3.342 20 0 FGADRP C[C@@H]([NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1cc2ccccc2s1 ZINC000423394848 500370089 /nfs/dbraw/zinc/37/00/89/500370089.db2.gz SEOLIHNTZULZFY-MLGOLLRUSA-N 2 0 357.445 3.388 20 0 FGADRP COCC1(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)CC[NH2+]CC1 ZINC000423397906 500370593 /nfs/dbraw/zinc/37/05/93/500370593.db2.gz CJMPTKGWPROVLY-YPAWHYETSA-N 3 0 371.569 3.035 20 0 FGADRP COCC1(C[NH2+][C@@H](C)c2cnn(-c3cc(C)ccc3C)c2C)CC[NH2+]CC1 ZINC000423408180 500371870 /nfs/dbraw/zinc/37/18/70/500371870.db2.gz OCSXCAAKWQCMLL-SFHVURJKSA-N 2 0 370.541 3.464 20 0 FGADRP C[C@@H]([NH2+][C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)c1ccc(C(C)(C)C)cc1 ZINC000423460997 500376445 /nfs/dbraw/zinc/37/64/45/500376445.db2.gz SJAKYWQZMULGMY-VMRPVKRXSA-N 2 0 357.542 3.282 20 0 FGADRP Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@H]2[NH2+]CCC[C@@H]2CCC[NH2+]2)cc1 ZINC000423482612 500378001 /nfs/dbraw/zinc/37/80/01/500378001.db2.gz PJXVVYZDZOHBFB-DFQSSKMNSA-N 2 0 364.555 3.202 20 0 FGADRP COc1ccc([C@@H](CNC(=O)C[C@@H]2CCC[NH2+]CC2)[NH+]2CCCCC2)cc1 ZINC000427298976 500379191 /nfs/dbraw/zinc/37/91/91/500379191.db2.gz IFFUHFBHQZRKDD-WIYYLYMNSA-N 2 0 373.541 3.118 20 0 FGADRP C[C@@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)c1cccc(OC(F)F)c1 ZINC000423503756 500380033 /nfs/dbraw/zinc/38/00/33/500380033.db2.gz GAAGEYSRMWUYMI-ODIFPOPNSA-N 2 0 353.457 3.155 20 0 FGADRP Cc1cc(C)c2c(c1)[C@H]([NH2+]C1CCC([NH+]3CCNCC3)CC1)CCCO2 ZINC000423519759 500381818 /nfs/dbraw/zinc/38/18/18/500381818.db2.gz QLVDQDVLRZDSTA-GZNCHQMQSA-N 2 0 357.542 3.323 20 0 FGADRP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)c1ccc(I)cc1 ZINC000423553185 500384315 /nfs/dbraw/zinc/38/43/15/500384315.db2.gz VWDHQXIVOQBLPW-ADSMDIBLSA-N 2 0 370.278 3.330 20 0 FGADRP NC1(C[NH2+][C@H]2CCCc3c(O)cccc32)CC[NH+](Cc2ccccc2)CC1 ZINC000423579891 500386380 /nfs/dbraw/zinc/38/63/80/500386380.db2.gz WVAHLNWHHNSFKO-NRFANRHFSA-N 2 0 365.521 3.353 20 0 FGADRP COc1ccccc1[C@@H](CNC(=O)CC[C@@H]1CCCC[N@@H+]1C)[NH+]1CCCC1 ZINC000431572948 500393833 /nfs/dbraw/zinc/39/38/33/500393833.db2.gz YWVAYRMHUIOONK-AZUAARDMSA-N 2 0 373.541 3.213 20 0 FGADRP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)NCCCC[NH+]1CCCC[C@H]1C ZINC000579517037 506193000 /nfs/dbraw/zinc/19/30/00/506193000.db2.gz NXRBMGKBCRFZSI-WOJBJXKFSA-N 2 0 374.573 3.461 20 0 FGADRP C[NH2+]CCc1ccccc1C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000423777102 500400962 /nfs/dbraw/zinc/40/09/62/500400962.db2.gz RDTZFINKYRXRKF-UHFFFAOYSA-N 2 0 351.494 3.339 20 0 FGADRP CCC[NH+]1CCC(NC(=O)N[C@H]2CCCC[C@@H]2C[NH+](CC)CC)CC1 ZINC000431661560 500404876 /nfs/dbraw/zinc/40/48/76/500404876.db2.gz AVZZOBNBVDNPHN-MJGOQNOKSA-N 2 0 352.567 3.061 20 0 FGADRP CCc1nc2ccccc2n1C1CCN(C(=O)[C@@]2(C)CCCC[NH2+]2)CC1 ZINC000423833274 500409033 /nfs/dbraw/zinc/40/90/33/500409033.db2.gz YZXZFNLUYQKJFD-OAQYLSRUSA-N 2 0 354.498 3.294 20 0 FGADRP C[C@@H](NC(=O)CCC[NH+]1CCC([NH3+])CC1)C1(c2ccccc2)CCCC1 ZINC000423896861 500417368 /nfs/dbraw/zinc/41/73/68/500417368.db2.gz VCTQRSQWBHSNEJ-GOSISDBHSA-N 2 0 357.542 3.206 20 0 FGADRP CN(C(=O)c1cccc(C[N@H+](C)Cc2ccccc2)c1)[C@@H](C[NH3+])C1CC1 ZINC000423940301 500421949 /nfs/dbraw/zinc/42/19/49/500421949.db2.gz ACPBBAKRWQZUMF-NRFANRHFSA-N 2 0 351.494 3.128 20 0 FGADRP C[NH2+]CC1CC[NH+](Cc2csc(-c3cccc(C(=O)OC)c3)n2)CC1 ZINC000420286863 500434151 /nfs/dbraw/zinc/43/41/51/500434151.db2.gz FVTKJIUBIKQEPX-UHFFFAOYSA-N 2 0 359.495 3.028 20 0 FGADRP CSc1ccc(C(=O)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000424016417 500437256 /nfs/dbraw/zinc/43/72/56/500437256.db2.gz CIYCCQUKMUOPDL-UHFFFAOYSA-N 2 0 369.534 3.132 20 0 FGADRP COc1ccc(-c2nc(C[N@@H+]3CCC[C@@H](CC[NH3+])C3)cs2)cc1OC ZINC000420301641 500437470 /nfs/dbraw/zinc/43/74/70/500437470.db2.gz AQDVYSSIZQVQEJ-AWEZNQCLSA-N 2 0 361.511 3.388 20 0 FGADRP COc1ccc([C@H](C[NH3+])CN2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)cc1 ZINC000420316692 500439835 /nfs/dbraw/zinc/43/98/35/500439835.db2.gz MDZLZQYCXBWXJX-SVFBPWRDSA-N 2 0 359.558 3.324 20 0 FGADRP COc1ccc([C@H](C[NH3+])C[N@@H+]2CCC[C@@H]2Cc2ccccc2OC)cc1 ZINC000420313316 500439989 /nfs/dbraw/zinc/43/99/89/500439989.db2.gz XXSOXRVPMIDUAK-WOJBJXKFSA-N 2 0 354.494 3.453 20 0 FGADRP C[C@H](C(=O)Nc1cccc2ccccc21)[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420330694 500442564 /nfs/dbraw/zinc/44/25/64/500442564.db2.gz BEMFHGNDUXRMJF-NZSAHSFTSA-N 2 0 351.494 3.488 20 0 FGADRP [NH3+]C[C@H]1C[N@H+](Cc2cc(-c3ccc(Cl)cc3)no2)CC12CCOCC2 ZINC000420334299 500443322 /nfs/dbraw/zinc/44/33/22/500443322.db2.gz UDMLUNMRTDPLTO-HNNXBMFYSA-N 2 0 361.873 3.182 20 0 FGADRP CCc1ccc([C@H](C)NC(=O)[C@H](C)[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000420331427 500443523 /nfs/dbraw/zinc/44/35/23/500443523.db2.gz BXORDXZSRLBSFW-USNOLKROSA-N 2 0 357.542 3.136 20 0 FGADRP O=C(C[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)Nc1ccc(Cl)c(Cl)c1 ZINC000420345012 500445736 /nfs/dbraw/zinc/44/57/36/500445736.db2.gz VOBDQJCNHDXNJM-QWHCGFSZSA-N 2 0 356.297 3.253 20 0 FGADRP CC(C)(C)c1ccc(OCCC[N@@H+]2CCC[C@@H](n3cc(C[NH3+])nn3)C2)cc1 ZINC000420374935 500450059 /nfs/dbraw/zinc/45/00/59/500450059.db2.gz IDSZLSGZWWTTAE-LJQANCHMSA-N 2 0 371.529 3.140 20 0 FGADRP C[C@@H]1CCN(CC(=O)Nc2ccccc2Oc2ccccc2)C[C@H]1C[NH3+] ZINC000420378577 500451272 /nfs/dbraw/zinc/45/12/72/500451272.db2.gz MEYXKGNZKASXEF-IAGOWNOFSA-N 2 0 353.466 3.334 20 0 FGADRP C[C@H]([NH2+]C1(C(=O)Nc2ccccc2)CC1)c1cccc(OCC[NH+](C)C)c1 ZINC000427976004 500453608 /nfs/dbraw/zinc/45/36/08/500453608.db2.gz VSBBZHMRURRHQZ-KRWDZBQOSA-N 2 0 367.493 3.449 20 0 FGADRP CCCOc1ccc(OCC[NH+]2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)cc1 ZINC000420394123 500454928 /nfs/dbraw/zinc/45/49/28/500454928.db2.gz RDYZPYGFDQDWQO-NQIIRXRSSA-N 2 0 362.514 3.073 20 0 FGADRP [NH3+][C@H]1CCO[C@@H](C2CC[NH+](CCOc3ccc(C(F)(F)F)cc3)CC2)C1 ZINC000420397320 500455626 /nfs/dbraw/zinc/45/56/26/500455626.db2.gz XHMLQEYCLANCJV-FUHWJXTLSA-N 2 0 372.431 3.303 20 0 FGADRP CC(C)N1CCO[C@@H](c2nc(-c3cccc(C[NH+]4CCCC4)c3)no2)C1 ZINC000420483161 500463186 /nfs/dbraw/zinc/46/31/86/500463186.db2.gz MOOQJSGOILPWBJ-GOSISDBHSA-N 2 0 356.470 3.114 20 0 FGADRP C[NH+]1CCC(C[NH2+][C@@H](C2CCC2)C2CCCCC2)(N2CCOCC2)CC1 ZINC000424277846 500480290 /nfs/dbraw/zinc/48/02/90/500480290.db2.gz BALHPFGYTNRFDP-OAQYLSRUSA-N 2 0 363.590 3.122 20 0 FGADRP c1ccc(C[N@H+]2C[C@@H]3CCCC[C@@H](NCc4nnc5n4CCC5)[C@H]3C2)cc1 ZINC000428224932 500483353 /nfs/dbraw/zinc/48/33/53/500483353.db2.gz DGHGVWDAUIKZGD-SLFFLAALSA-N 2 0 365.525 3.005 20 0 FGADRP C[C@H]1CC2(C[N@@H+]1CCOc1ccc(Br)cc1)CC[NH2+]CC2 ZINC000424301907 500483760 /nfs/dbraw/zinc/48/37/60/500483760.db2.gz YFZWZFRCXOIELZ-AWEZNQCLSA-N 2 0 353.304 3.292 20 0 FGADRP C[C@@H]1C[C@@H](NC(=O)NC2CCC([NH+](C)C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000420797165 500503429 /nfs/dbraw/zinc/50/34/29/500503429.db2.gz GQVDZBGHSZIZES-PPXMBRMGSA-N 2 0 372.557 3.212 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NC1CCC([NH+](C)C)CC1 ZINC000420800752 500504418 /nfs/dbraw/zinc/50/44/18/500504418.db2.gz JRYAQFGDCQWWMM-GHOZHQTGSA-N 2 0 372.557 3.069 20 0 FGADRP Cc1cc(C[NH3+])cc(NC(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)c1 ZINC000424445263 500506793 /nfs/dbraw/zinc/50/67/93/500506793.db2.gz OGXPQZOZWWGXIU-FQEVSTJZSA-N 2 0 352.482 3.412 20 0 FGADRP CC[NH+](CC)[C@@H](C(=O)NC[C@H]1CCC[NH2+]C1)c1cccc(C(F)(F)F)c1 ZINC000428593435 500531042 /nfs/dbraw/zinc/53/10/42/500531042.db2.gz LSAQRSYHQOENTN-WMLDXEAASA-N 2 0 371.447 3.204 20 0 FGADRP CC[C@H]1CCC[C@@H]1[NH2+]CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000432797963 500565631 /nfs/dbraw/zinc/56/56/31/500565631.db2.gz GXPLGZMUOUCQAI-RXVVDRJESA-N 2 0 357.542 3.244 20 0 FGADRP CC[C@@H]1CN(CC[NH2+]C2CCC([N@H+](C)Cc3ccccc3)CC2)CCO1 ZINC000576656174 506206161 /nfs/dbraw/zinc/20/61/61/506206161.db2.gz LURMSIAYQBJUGQ-LZBANZJXSA-N 2 0 359.558 3.130 20 0 FGADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](Cc1ccc(F)cc1)c1ccccc1 ZINC000447533557 500618844 /nfs/dbraw/zinc/61/88/44/500618844.db2.gz RPEIKURYHIWIBP-AVRDEDQJSA-N 2 0 355.501 3.335 20 0 FGADRP CC[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433116904 500630336 /nfs/dbraw/zinc/63/03/36/500630336.db2.gz NHMHLHHYLJPCSN-SFTDATJTSA-N 2 0 357.542 3.375 20 0 FGADRP [NH3+]C1CC[NH+](CCCC(=O)NCC2(c3ccc(Cl)cc3)CCC2)CC1 ZINC000433134852 500632940 /nfs/dbraw/zinc/63/29/40/500632940.db2.gz RWZVQCPRFYCESF-UHFFFAOYSA-N 2 0 363.933 3.081 20 0 FGADRP C[C@H]1CCCN(C(=O)C[N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)C1 ZINC000433185681 500642184 /nfs/dbraw/zinc/64/21/84/500642184.db2.gz BCGBPFUWLQPNJL-FQEVSTJZSA-N 2 0 369.553 3.233 20 0 FGADRP Cc1nc(-c2cccc(NC(=O)C[N@@H+]3CCC[C@H](CC[NH3+])C3)c2)cs1 ZINC000443058328 500670856 /nfs/dbraw/zinc/67/08/56/500670856.db2.gz KAYRGSRAOCFNRI-OAHLLOKOSA-N 2 0 358.511 3.118 20 0 FGADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H](O)Cc2ccccc2C(F)(F)F)C[C@@H]1C ZINC000443409901 500720660 /nfs/dbraw/zinc/72/06/60/500720660.db2.gz YHLQNLDTPJHPNR-BHYGNILZSA-N 2 0 358.448 3.413 20 0 FGADRP CN1CC[NH+](CC2(C)CC[NH+](Cc3cc4c(cccc4F)[nH]3)CC2)CC1 ZINC000437970674 500723416 /nfs/dbraw/zinc/72/34/16/500723416.db2.gz NJTUIEYOQNFXMD-UHFFFAOYSA-N 2 0 358.505 3.157 20 0 FGADRP CC[NH+](CC)CCOc1ccc(NC(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000438051468 500731878 /nfs/dbraw/zinc/73/18/78/500731878.db2.gz QWQWSTPOKCDBSC-AEFFLSMTSA-N 2 0 362.518 3.011 20 0 FGADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)NC[C@@H](c2ccsc2)[NH+](C)C)C1 ZINC000448209491 500733625 /nfs/dbraw/zinc/73/36/25/500733625.db2.gz RJHODYVXDSZYRV-AEFFLSMTSA-N 2 0 366.575 3.018 20 0 FGADRP C[N@H+](CC[C@H]1CCCC[NH+]1C)C[C@H](O)Cc1ccc(C(F)(F)F)cc1 ZINC000438170453 500749752 /nfs/dbraw/zinc/74/97/52/500749752.db2.gz XVEBOVNVMKCYQF-QZTJIDSGSA-N 2 0 358.448 3.415 20 0 FGADRP CCCN(CCC[NH+](C)C)C(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000438318535 500768913 /nfs/dbraw/zinc/76/89/13/500768913.db2.gz DRPZNIWJPQCUAB-IBGZPJMESA-N 2 0 352.567 3.157 20 0 FGADRP C[NH2+]CCc1ccccc1C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000448551534 500770989 /nfs/dbraw/zinc/77/09/89/500770989.db2.gz VYQWRKJYTYKKHK-NRFANRHFSA-N 2 0 351.494 3.015 20 0 FGADRP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000438348436 500774440 /nfs/dbraw/zinc/77/44/40/500774440.db2.gz XKLCFBPEXLTDNB-PXNSSMCTSA-N 2 0 364.578 3.155 20 0 FGADRP C[NH+](C)CCC1CCN(C(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)CC1 ZINC000438348698 500774504 /nfs/dbraw/zinc/77/45/04/500774504.db2.gz YKFZQZNMEHVAJQ-HXUWFJFHSA-N 2 0 364.578 3.157 20 0 FGADRP O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000438571826 500802988 /nfs/dbraw/zinc/80/29/88/500802988.db2.gz BFKPROQUCDEGNR-SFTDATJTSA-N 2 0 355.526 3.347 20 0 FGADRP CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000439141269 500863016 /nfs/dbraw/zinc/86/30/16/500863016.db2.gz MZKBKACGZSHWAY-IAGOWNOFSA-N 2 0 366.575 3.161 20 0 FGADRP C[C@H]1[NH2+]CCN(C(=O)c2cccc(C[N@H+](C)Cc3ccccc3)c2)[C@H]1C ZINC000434673557 500877464 /nfs/dbraw/zinc/87/74/64/500877464.db2.gz QWJZBDKEDQMESD-MSOLQXFVSA-N 2 0 351.494 3.141 20 0 FGADRP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@](C)(CCc3ccccc3)C2)CC1 ZINC000434905073 500910294 /nfs/dbraw/zinc/91/02/94/500910294.db2.gz IBADZJZOISDGAH-QHCPKHFHSA-N 2 0 371.569 3.320 20 0 FGADRP C[C@H](C[NH2+]CCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000449080918 500919657 /nfs/dbraw/zinc/91/96/57/500919657.db2.gz AHCRFIXMHROQHN-FGTMMUONSA-N 2 0 366.571 3.151 20 0 FGADRP C[NH+](C)CCOc1ccc(C[NH2+]Cc2ccc3c(c2)OCCCCO3)cc1 ZINC000449090496 500922067 /nfs/dbraw/zinc/92/20/67/500922067.db2.gz NHLSQRQZNVDTSC-UHFFFAOYSA-N 2 0 370.493 3.468 20 0 FGADRP C[C@@H](C[NH2+][C@H](CC[NH+](C)C)C(C)(C)C)c1ccc(S(C)(=O)=O)cc1 ZINC000449143790 500934695 /nfs/dbraw/zinc/93/46/95/500934695.db2.gz RHKIHWLINSGGAZ-MAUKXSAKSA-N 2 0 354.560 3.150 20 0 FGADRP C[C@@H]1CSC[C@@H]1[NH2+]Cc1cc(C(F)(F)F)ccc1N1CC[NH+](C)CC1 ZINC000449155367 500936562 /nfs/dbraw/zinc/93/65/62/500936562.db2.gz PJRXJLCVBKLNCN-CJNGLKHVSA-N 2 0 373.488 3.298 20 0 FGADRP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@H]2CCOC3(CCOCC3)C2)CC1 ZINC000449197158 500945496 /nfs/dbraw/zinc/94/54/96/500945496.db2.gz UTTMPHVEDLLRAV-UGKGYDQZSA-N 2 0 372.553 3.400 20 0 FGADRP Cc1nn(-c2ccc(F)cc2F)c(C)c1C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000435380479 500963422 /nfs/dbraw/zinc/96/34/22/500963422.db2.gz NZVHMNUDRCIDMI-POZUXBRTSA-N 2 0 360.452 3.327 20 0 FGADRP COc1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cc1OCc1cccnc1 ZINC000435383337 500964282 /nfs/dbraw/zinc/96/42/82/500964282.db2.gz GQESNHIBCQHBKZ-SLFFLAALSA-N 2 0 367.493 3.228 20 0 FGADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3cn(-c4ccccc4)nc3-c3ccncc3)C[C@H]21 ZINC000435382643 500964508 /nfs/dbraw/zinc/96/45/08/500964508.db2.gz DXYYXDPQCRAEGL-VLCRHTCISA-N 2 0 373.504 3.494 20 0 FGADRP COc1cc(CN(Cc2ccccn2)[C@H]2CCC[NH2+]CC2)cc(OC)c1 ZINC000435392678 500966703 /nfs/dbraw/zinc/96/67/03/500966703.db2.gz HINFJAPSKFAUDE-IBGZPJMESA-N 2 0 355.482 3.243 20 0 FGADRP O=c1[nH]c2ccccc2cc1CN(Cc1ccccn1)[C@@H]1CCC[NH2+]CC1 ZINC000435390865 500966911 /nfs/dbraw/zinc/96/69/11/500966911.db2.gz QOVFGYCLFUTAAU-HXUWFJFHSA-N 2 0 362.477 3.480 20 0 FGADRP CCOc1cc(C[NH+]2CCC(C[NH2+]C)CC2)ccc1OCC(F)(F)F ZINC000435395373 500967516 /nfs/dbraw/zinc/96/75/16/500967516.db2.gz POPHCKRWTPSTSJ-UHFFFAOYSA-N 2 0 360.420 3.458 20 0 FGADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC000440115664 500976474 /nfs/dbraw/zinc/97/64/74/500976474.db2.gz BPQAJQFTNIWCFY-SLYNCCJLSA-N 2 0 355.526 3.345 20 0 FGADRP C[C@@H](Cc1coc2ccccc12)[NH2+]Cc1ccncc1OCC[NH+](C)C ZINC000449327534 500978999 /nfs/dbraw/zinc/97/89/99/500978999.db2.gz DYBZZWWMURNXNO-INIZCTEOSA-N 2 0 353.466 3.489 20 0 FGADRP C[C@H]([NH2+][C@H]1CCO[C@@H](c2cncn2C)C1)c1nc(C(F)(F)F)cs1 ZINC000435538783 500989383 /nfs/dbraw/zinc/98/93/83/500989383.db2.gz YVXLNLBELTXTCD-JBLDHEPKSA-N 2 0 360.405 3.466 20 0 FGADRP CCCOc1c(OC)cc(CC[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1OC ZINC000449486448 501015165 /nfs/dbraw/zinc/01/51/65/501015165.db2.gz SHXLWVOEAPUOTO-ZWKOTPCHSA-N 2 0 362.514 3.252 20 0 FGADRP CC1(C)CCc2ccccc2[C@H]([NH2+]CC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000440611145 501029148 /nfs/dbraw/zinc/02/91/48/501029148.db2.gz NMUXGWNCAWNDEW-OAQYLSRUSA-N 2 0 369.553 3.423 20 0 FGADRP CCC[NH+]1CCN(c2ccccc2C[N@@H+]2CC[C@@H]3C[C@H](O)CC[C@H]3C2)CC1 ZINC000449550155 501030705 /nfs/dbraw/zinc/03/07/05/501030705.db2.gz CJKKCSKMVBEBNP-RZUBCFFCSA-N 2 0 371.569 3.202 20 0 FGADRP C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)NCC2([NH+](C)C)CCC2)C1 ZINC000445851230 501040888 /nfs/dbraw/zinc/04/08/88/501040888.db2.gz BKVIKXHXJOINLN-GOSISDBHSA-N 2 0 372.557 3.202 20 0 FGADRP CCC[NH+]1CCN(c2ccccc2C[N@@H+]2CC[C@@H](O)CC(C)(C)C2)CC1 ZINC000449615787 501044341 /nfs/dbraw/zinc/04/43/41/501044341.db2.gz ABLSBFSYVUPKKB-HXUWFJFHSA-N 2 0 359.558 3.202 20 0 FGADRP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCC1([NH+](C)C)CCC1 ZINC000445871191 501044775 /nfs/dbraw/zinc/04/47/75/501044775.db2.gz JENHCUSSWBVXTM-HXUWFJFHSA-N 2 0 372.557 3.024 20 0 FGADRP C[NH+](C)[C@H](CNC(=O)C[NH2+][C@H]1CCC[C@H]1c1ccccc1)c1ccccc1 ZINC000446002797 501061469 /nfs/dbraw/zinc/06/14/69/501061469.db2.gz PENBSNFHPVMXID-FDFHNCONSA-N 2 0 365.521 3.331 20 0 FGADRP O=C(NCC1CC[NH+](C2CC2)CC1)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000446464988 501123305 /nfs/dbraw/zinc/12/33/05/501123305.db2.gz SXNCCYFDBSRVLG-OAQYLSRUSA-N 2 0 355.526 3.032 20 0 FGADRP C[N@@H+]1CCN(CC[NH2+]Cc2ccc(Br)cc2Cl)CC1(C)C ZINC000441353409 501125964 /nfs/dbraw/zinc/12/59/64/501125964.db2.gz ZIPGNXPFRDRZOT-UHFFFAOYSA-N 2 0 374.754 3.218 20 0 FGADRP C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)NCC2([NH+](C)C)CCC2)CC1 ZINC000446625386 501143800 /nfs/dbraw/zinc/14/38/00/501143800.db2.gz SYCHRPQGXFWXNL-SFHVURJKSA-N 2 0 364.578 3.157 20 0 FGADRP COC[C@H]([NH2+]CCCN1CC[N@H+](C)C[C@H]1c1ccccc1)C1CCCC1 ZINC000446758969 501162639 /nfs/dbraw/zinc/16/26/39/501162639.db2.gz MLNNSAWZKIRNAX-VXKWHMMOSA-N 2 0 359.558 3.160 20 0 FGADRP O[C@H](Cc1ccccc1)C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000450984878 501236923 /nfs/dbraw/zinc/23/69/23/501236923.db2.gz YPQIGLCWDWMJIS-DHIUTWEWSA-N 2 0 350.506 3.188 20 0 FGADRP NC(=O)[C@H]1CCC[N@H+](Cc2cccc(C[NH2+][C@H](C3CC3)C3CCCC3)c2)C1 ZINC000453110749 501271711 /nfs/dbraw/zinc/27/17/11/501271711.db2.gz OIMCPZDARSPLHT-VXKWHMMOSA-N 2 0 369.553 3.442 20 0 FGADRP c1[nH]nc2c1CC[C@@H]([NH2+][C@H]1CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@@H]31)C2 ZINC000453125832 501274075 /nfs/dbraw/zinc/27/40/75/501274075.db2.gz ATDIQHFTPADGAR-JBPLPALLSA-N 2 0 350.510 3.300 20 0 FGADRP CC[C@H](C)[NH+]1CCN(C(=O)NC2CC[NH+](Cc3ccccc3C)CC2)CC1 ZINC000457645888 501275661 /nfs/dbraw/zinc/27/56/61/501275661.db2.gz ZEOMLUIJVFCHJN-IBGZPJMESA-N 2 0 372.557 3.085 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)NC(C)(C)C[NH+](C)C ZINC000457653756 501278704 /nfs/dbraw/zinc/27/87/04/501278704.db2.gz ONTKPNKRFKUSNX-QGZVFWFLSA-N 2 0 360.546 3.200 20 0 FGADRP COC1([C@H](C)[NH2+]CC[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)CCOCC1 ZINC000453179611 501286560 /nfs/dbraw/zinc/28/65/60/501286560.db2.gz UYIFFJAICJPTRK-DYXWJJEUSA-N 2 0 360.542 3.461 20 0 FGADRP CCCOc1c(OC)cc(CC[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)cc1OC ZINC000453305038 501312037 /nfs/dbraw/zinc/31/20/37/501312037.db2.gz GPRIRZNFRWGETA-SOLBZPMBSA-N 2 0 364.530 3.353 20 0 FGADRP CCCOc1c(OC)cc(CC[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)cc1OC ZINC000453305036 501312282 /nfs/dbraw/zinc/31/22/82/501312282.db2.gz GPRIRZNFRWGETA-LZLYRXPVSA-N 2 0 364.530 3.353 20 0 FGADRP CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000455483498 501315229 /nfs/dbraw/zinc/31/52/29/501315229.db2.gz YDOMPDJMCAVAPL-OTYNDTSQSA-N 2 0 372.557 3.067 20 0 FGADRP C[NH+](C)CCCC(C)(C)NC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000458093792 501371187 /nfs/dbraw/zinc/37/11/87/501371187.db2.gz QNJLWMGFJGKIOA-FQEVSTJZSA-N 2 0 374.573 3.461 20 0 FGADRP C[NH+](C)[C@@H]1CCc2cc(NC(=O)NC3CC[NH+](C4CCC4)CC3)ccc21 ZINC000455836002 501397089 /nfs/dbraw/zinc/39/70/89/501397089.db2.gz AOTOXQPRZDSPEN-HXUWFJFHSA-N 2 0 356.514 3.374 20 0 FGADRP C[NH+](C)[C@@H]1CCc2cc(NC(=O)N3CC[C@@]4(C3)CCC[N@H+](C)C4)ccc21 ZINC000455864514 501402292 /nfs/dbraw/zinc/40/22/92/501402292.db2.gz SYYXJAJUFQVAGU-CTNGQTDRSA-N 2 0 356.514 3.185 20 0 FGADRP CCc1ccc([C@H](CNC(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)[NH+](C)C)cc1 ZINC000611671570 506251550 /nfs/dbraw/zinc/25/15/50/506251550.db2.gz XIRPXHONDKWJSA-RTWAWAEBSA-N 2 0 372.557 3.122 20 0 FGADRP CC[NH+]1CCN(CC(C)(C)[NH2+]CCOc2ccc(Cl)cc2Cl)CC1 ZINC000451992774 501414056 /nfs/dbraw/zinc/41/40/56/501414056.db2.gz UQQCSOKTNVSYKX-UHFFFAOYSA-N 2 0 374.356 3.378 20 0 FGADRP C[NH+](C)[C@@H]1CCc2cc(NC(=O)N3CC[C@@H]4[C@@H](CCC[N@@H+]4C)C3)ccc21 ZINC000455924901 501417282 /nfs/dbraw/zinc/41/72/82/501417282.db2.gz MTMYBHHPQOORRC-PWIZWCRZSA-N 2 0 356.514 3.184 20 0 FGADRP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000455933966 501419886 /nfs/dbraw/zinc/41/98/86/501419886.db2.gz QSIFPSICKZZRDM-QUCCMNQESA-N 2 0 358.530 3.477 20 0 FGADRP C[NH+](C)CCN(Cc1ccco1)C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000455937355 501420669 /nfs/dbraw/zinc/42/06/69/501420669.db2.gz SHOHWYLZQVXXPN-FQEVSTJZSA-N 2 0 370.497 3.424 20 0 FGADRP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)NCC[C@H]2CCC[N@H+](C)C2)CC1 ZINC000458396859 501435532 /nfs/dbraw/zinc/43/55/32/501435532.db2.gz DCZLDQDXQLQRQD-RTBURBONSA-N 2 0 372.557 3.243 20 0 FGADRP O=C(NCCCCC[NH+]1CCCC1)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000454344509 501519147 /nfs/dbraw/zinc/51/91/47/501519147.db2.gz URSUHSMTGUOQPW-OAQYLSRUSA-N 2 0 372.557 3.216 20 0 FGADRP CC[N@H+](CCNC(=O)NCc1ccc(C[NH+]2CCC[C@@H](C)C2)cc1)C(C)C ZINC000588276174 506257976 /nfs/dbraw/zinc/25/79/76/506257976.db2.gz KOXHLMRZTGLKNY-LJQANCHMSA-N 2 0 374.573 3.448 20 0 FGADRP CCc1ccc([C@H](CNC(=O)N2CC[C@H](C[NH+](C)C)C2)[NH+](CC)CC)cc1 ZINC000458792080 501532799 /nfs/dbraw/zinc/53/27/99/501532799.db2.gz LCNZSEIZVNQPCF-CTNGQTDRSA-N 2 0 374.573 3.225 20 0 FGADRP CSc1ccc([C@@H](CNC(=O)N[C@H](C)C[N@H+](C)C(C)C)[NH+](C)C)cc1 ZINC000458792338 501532946 /nfs/dbraw/zinc/53/29/46/501532946.db2.gz QSMPFAXDTTVLJT-CRAIPNDOSA-N 2 0 366.575 3.039 20 0 FGADRP CC[C@@H]1C[C@H]1CNC(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC000458983992 501570985 /nfs/dbraw/zinc/57/09/85/501570985.db2.gz DVYVVUKNVDHAHA-UMGGQSCQSA-N 2 0 364.578 3.011 20 0 FGADRP C[N@@H+]1CCC[C@H]1C(=O)N1CC(C)(C)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000452845173 501572873 /nfs/dbraw/zinc/57/28/73/501572873.db2.gz LAZLRKBMDYPTMG-LEWJYISDSA-N 2 0 369.553 3.230 20 0 FGADRP C[NH+](C)C[C@H](NC(=O)NCCCC[N@H+](C)C1CC1)c1ccc(Cl)cc1 ZINC000459133042 501600643 /nfs/dbraw/zinc/60/06/43/501600643.db2.gz BZFPVVSMSONRRZ-SFHVURJKSA-N 2 0 366.937 3.116 20 0 FGADRP C[C@H](NC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)c1ccc(Cl)cc1 ZINC000459278286 501623905 /nfs/dbraw/zinc/62/39/05/501623905.db2.gz KYRDNZIIHVBKBD-INIZCTEOSA-N 2 0 368.953 3.316 20 0 FGADRP C[C@@H]1CN(C(=O)NCC[C@H]2CCC[NH+](C)C2)[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC000459326210 501631751 /nfs/dbraw/zinc/63/17/51/501631751.db2.gz WVFRFLHQDOELRW-SVFBPWRDSA-N 2 0 372.557 3.023 20 0 FGADRP COc1ccc(-c2ccccc2C)cc1C[NH2+]CCCN1CC[NH+](C)CC1 ZINC000459462642 501658583 /nfs/dbraw/zinc/65/85/83/501658583.db2.gz KAPYINLOXFCMHQ-UHFFFAOYSA-N 2 0 367.537 3.398 20 0 FGADRP COC[C@@H](O)C[N@@H+]1CCCCC[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000459522943 501669228 /nfs/dbraw/zinc/66/92/28/501669228.db2.gz LDSJUJLCVVGPKO-FCHUYYIVSA-N 2 0 360.542 3.151 20 0 FGADRP C[C@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)C(=O)N1c2ccccc2C[C@H]1C ZINC000459566620 501678218 /nfs/dbraw/zinc/67/82/18/501678218.db2.gz HOLRQDHNZHRLRA-SJORKVTESA-N 2 0 364.493 3.006 20 0 FGADRP COC(=O)c1cc2c(o1)c(OC)ccc2C[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000459728567 501705421 /nfs/dbraw/zinc/70/54/21/501705421.db2.gz IIKYPGKLMDYWIE-CQSZACIVSA-N 2 0 360.454 3.050 20 0 FGADRP CCc1ccc([C@H](CNC(=O)NC2CC[NH+](C3CCC3)CC2)[NH+](C)C)cc1 ZINC000457477541 501706287 /nfs/dbraw/zinc/70/62/87/501706287.db2.gz LNDBYIKVXWLVRZ-NRFANRHFSA-N 2 0 372.557 3.168 20 0 FGADRP C[N@H+](CCCCNC(=O)NC[C@H](c1cccs1)[NH+]1CCCC1)C1CC1 ZINC000457492836 501709686 /nfs/dbraw/zinc/70/96/86/501709686.db2.gz PSEXQKOFIUSBPR-QGZVFWFLSA-N 2 0 364.559 3.059 20 0 FGADRP CC[NH+](CC)Cc1ccccc1CNC(=O)N1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000457535008 501718112 /nfs/dbraw/zinc/71/81/12/501718112.db2.gz SKJQQXMYPCZTAP-QFIPXVFZSA-N 2 0 372.557 3.156 20 0 FGADRP CCC(C)(C)[NH2+][C@H](C)C(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000477633425 501745544 /nfs/dbraw/zinc/74/55/44/501745544.db2.gz HDGBIKCWNIZMQD-QGZVFWFLSA-N 2 0 360.546 3.313 20 0 FGADRP Cc1cccc(C[C@H](CO)[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000467353858 501775953 /nfs/dbraw/zinc/77/59/53/501775953.db2.gz BDOGAUCHSSZOBQ-OLKYXYMISA-N 2 0 364.533 3.399 20 0 FGADRP Cc1cccnc1[C@H]1CCC[C@H]([NH2+][C@@H](CC(C)C)C(=O)NCC[NH+](C)C)C1 ZINC000467358785 501777122 /nfs/dbraw/zinc/77/71/22/501777122.db2.gz MCMJWSCTAMKHBC-UFYCRDLUSA-N 2 0 374.573 3.098 20 0 FGADRP CC1CC[NH+](CCNC(=O)N(C)[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000470736899 501787405 /nfs/dbraw/zinc/78/74/05/501787405.db2.gz LBTFMGWOLOXBMB-NRFANRHFSA-N 2 0 372.557 3.024 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000470746722 501789509 /nfs/dbraw/zinc/78/95/09/501789509.db2.gz OXMLRBHRQNJZOQ-QUCCMNQESA-N 2 0 364.578 3.014 20 0 FGADRP C[C@@H]1C[N@@H+](CCC2CC[NH+](CCCO[C@@H]3CCCCO3)CC2)C[C@H](C)O1 ZINC000460383398 501810352 /nfs/dbraw/zinc/81/03/52/501810352.db2.gz IAKYWFNHLFLCCQ-SVFBPWRDSA-N 2 0 368.562 3.131 20 0 FGADRP CCC[N@H+](C)C[C@H]1CC[NH+](CCC(=O)Nc2ccc(OC)c(Cl)c2)C1 ZINC000485428179 501818866 /nfs/dbraw/zinc/81/88/66/501818866.db2.gz BGQFDLQJGQCFMD-OAHLLOKOSA-N 2 0 367.921 3.341 20 0 FGADRP C[C@@H](C(=O)N1CCCCC1)[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000485489547 501835107 /nfs/dbraw/zinc/83/51/07/501835107.db2.gz JNANQVONRKTMTE-FQEVSTJZSA-N 2 0 369.553 3.376 20 0 FGADRP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+]1CCCC2(CCC2)C1 ZINC000470867809 501835300 /nfs/dbraw/zinc/83/53/00/501835300.db2.gz GKAHFQCQAPGOKE-IBGZPJMESA-N 2 0 369.553 3.422 20 0 FGADRP CN1CCO[C@H]([C@H]([NH2+]CC2(C)CC[NH+](C)CC2)c2ccc(Cl)cc2)C1 ZINC000467630740 501837059 /nfs/dbraw/zinc/83/70/59/501837059.db2.gz SADHHAAWJXNZTC-RBUKOAKNSA-N 2 0 365.949 3.033 20 0 FGADRP CC(C)CNC(=O)[C@@H](C)[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000485497691 501838583 /nfs/dbraw/zinc/83/85/83/501838583.db2.gz VWYHOGZPXSSTKF-LJQANCHMSA-N 2 0 357.542 3.135 20 0 FGADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)N(C)[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000470885623 501842496 /nfs/dbraw/zinc/84/24/96/501842496.db2.gz FAASFIBDSMGCMR-LEWJYISDSA-N 2 0 372.557 3.167 20 0 FGADRP C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)NCCCCC[NH+]2CCCCC2)C1 ZINC000470898175 501845973 /nfs/dbraw/zinc/84/59/73/501845973.db2.gz QRMAZNVWRBITJX-FQEVSTJZSA-N 2 0 364.578 3.016 20 0 FGADRP CCOC[C@@H]1CCC[C@@H]1[NH2+]CCCN1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000474467832 501846126 /nfs/dbraw/zinc/84/61/26/501846126.db2.gz LIUIFKVEQVUUMJ-FDFHNCONSA-N 2 0 359.558 3.160 20 0 FGADRP C[NH+](C)Cc1ccc(C[NH2+]Cc2ccc(Cl)cc2-n2cncn2)cc1 ZINC000474486557 501852488 /nfs/dbraw/zinc/85/24/88/501852488.db2.gz SLZMCJMIOFVCNU-UHFFFAOYSA-N 2 0 355.873 3.272 20 0 FGADRP CCCC[N@H+](C)C[C@H](C)NC(=O)N[C@H](C)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000460655230 501887015 /nfs/dbraw/zinc/88/70/15/501887015.db2.gz KZKQFCMXZHGGRN-QKNQBKEWSA-N 2 0 374.573 3.317 20 0 FGADRP C[C@@H]([NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1)c1ccc(F)c(F)c1 ZINC000467842676 501889164 /nfs/dbraw/zinc/88/91/64/501889164.db2.gz RJDNUZNCIIVNAM-MRXNPFEDSA-N 2 0 360.452 3.223 20 0 FGADRP OC1CC[NH+](Cc2ccc(C[NH2+][C@@H]3CCC[C@H]([C@H]4CCOC4)C3)cc2)CC1 ZINC000464071302 501890462 /nfs/dbraw/zinc/89/04/62/501890462.db2.gz XAVZJAPGKLAIBJ-FDFHNCONSA-N 2 0 372.553 3.328 20 0 FGADRP COc1ccccc1[C@H](CNC(=O)C[NH+]1[C@H](C)CC[C@H]1C)[NH+]1CCCCC1 ZINC000468014048 501929750 /nfs/dbraw/zinc/92/97/50/501929750.db2.gz NIJTXJJOMZCMOR-GGPKGHCWSA-N 2 0 373.541 3.211 20 0 FGADRP COC(=O)C[C@@H]1CC[C@H]([NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)[C@H]1C ZINC000474716610 501931889 /nfs/dbraw/zinc/93/18/89/501931889.db2.gz VMJUMAICUMROFJ-CUWPLCDZSA-N 2 0 374.525 3.229 20 0 FGADRP CC[NH+](CC)CCSCC(=O)N[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000468116503 501962235 /nfs/dbraw/zinc/96/22/35/501962235.db2.gz FWRYYLVHHPJQKZ-IEBWSBKVSA-N 2 0 363.571 3.013 20 0 FGADRP CC[NH+](CC)[C@@H](C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1)c1ccccc1 ZINC000464352761 501963921 /nfs/dbraw/zinc/96/39/21/501963921.db2.gz CYOXGCKCMLTPAC-NHCUHLMSSA-N 2 0 357.542 3.450 20 0 FGADRP C[C@H]([NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1)c1cc(F)ccc1F ZINC000482106856 501977478 /nfs/dbraw/zinc/97/74/78/501977478.db2.gz CRDQLCHLEJGDIB-INIZCTEOSA-N 2 0 360.452 3.223 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCC(=O)NCc1ccccc1 ZINC000482113103 501978714 /nfs/dbraw/zinc/97/87/14/501978714.db2.gz XISLZEMQYICMIK-KNQAVFIVSA-N 2 0 365.521 3.193 20 0 FGADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccncc1 ZINC000482115045 501978735 /nfs/dbraw/zinc/97/87/35/501978735.db2.gz OZLDLTXMDSRWNF-DYESRHJHSA-N 2 0 361.493 3.364 20 0 FGADRP CCOc1ccccc1[C@H](C)[NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000482127227 501983493 /nfs/dbraw/zinc/98/34/93/501983493.db2.gz ZYEZTNQVMSNMJA-IBGZPJMESA-N 2 0 368.525 3.343 20 0 FGADRP CC1CC[NH+](CC(=O)N2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)CC1 ZINC000474941706 501999462 /nfs/dbraw/zinc/99/94/62/501999462.db2.gz CANBKEBLUCXSGD-HSZRJFAPSA-N 2 0 369.553 3.233 20 0 FGADRP Cc1ccccc1[C@H]1CC[N@@H+](CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000475037317 502029753 /nfs/dbraw/zinc/02/97/53/502029753.db2.gz CSHLLXHTDMRUNB-RBBKRZOGSA-N 2 0 365.521 3.203 20 0 FGADRP CC(C)[NH+](CCCNC(=O)N1CC[NH+](C2CCCCC2)CC1)C(C)C ZINC000486094720 502044964 /nfs/dbraw/zinc/04/49/64/502044964.db2.gz MMDBPOZRLYNDMP-UHFFFAOYSA-N 2 0 352.567 3.155 20 0 FGADRP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000461259978 502054103 /nfs/dbraw/zinc/05/41/03/502054103.db2.gz GBWRDNQSILZXBF-RTWAWAEBSA-N 2 0 357.542 3.231 20 0 FGADRP C[NH+](C)Cc1ccsc1C(=O)NC[C@@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000482475816 502080751 /nfs/dbraw/zinc/08/07/51/502080751.db2.gz DCZREIYXLMUTLH-IBGZPJMESA-N 2 0 371.550 3.450 20 0 FGADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)NCC(C)(C)C[NH+]2CCCC2)C1 ZINC000478791409 502086003 /nfs/dbraw/zinc/08/60/03/502086003.db2.gz DRUHYNZEUUHBLS-QUCCMNQESA-N 2 0 372.557 3.243 20 0 FGADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N1CC[C@@H]([NH+]2CCCC2)[C@@H]1C ZINC000478829282 502099262 /nfs/dbraw/zinc/09/92/62/502099262.db2.gz JLPOQQXRUJOWHL-GHTZIAJQSA-N 2 0 372.557 3.295 20 0 FGADRP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)NC[C@H](C(C)C)[NH+]2CCC(C)CC2)C1 ZINC000464830462 502110011 /nfs/dbraw/zinc/11/00/11/502110011.db2.gz OIMWJTIUQKAZHJ-VQTJNVASSA-N 2 0 366.594 3.020 20 0 FGADRP CCC[NH+]1CCN(c2ccccc2C[N@H+]2C[C@@H](C3CC3)O[C@@H](C)C2)CC1 ZINC000475269893 502111478 /nfs/dbraw/zinc/11/14/78/502111478.db2.gz NVTQSTUVJKZUGK-AVRDEDQJSA-N 2 0 357.542 3.218 20 0 FGADRP C[NH+](C)CCCOc1cccc(NC(=O)c2ccccc2C[NH+](C)C)c1 ZINC000486355518 502131793 /nfs/dbraw/zinc/13/17/93/502131793.db2.gz HHSVRAXDDWEXSN-UHFFFAOYSA-N 2 0 355.482 3.331 20 0 FGADRP C[C@H](CC(=O)N1CCCC[C@@H]1[C@@H](C[NH3+])Cc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000471790055 502138034 /nfs/dbraw/zinc/13/80/34/502138034.db2.gz FZCWGEQJPLNJDL-ZHHKINOHSA-N 2 0 371.569 3.211 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)[C@@H](C[NH3+])c1ccc(F)cc1)c1ccccc1 ZINC000479049551 502147051 /nfs/dbraw/zinc/14/70/51/502147051.db2.gz GWRFKBBQBYOQJH-VQTJNVASSA-N 2 0 357.473 3.067 20 0 FGADRP C[C@@H](C[NH+]1CCCCCC1)NC(=O)NCCCC[N@@H+]1CCC[C@H](C)C1 ZINC000482740267 502167467 /nfs/dbraw/zinc/16/74/67/502167467.db2.gz IDHDCJZUXIOPQE-OALUTQOASA-N 2 0 352.567 3.062 20 0 FGADRP C[C@H](C[NH+]1CCCCCC1)NC(=O)NCCCC[N@@H+]1CCC[C@H](C)C1 ZINC000482740270 502167672 /nfs/dbraw/zinc/16/76/72/502167672.db2.gz IDHDCJZUXIOPQE-RBUKOAKNSA-N 2 0 352.567 3.062 20 0 FGADRP Cc1cc(N2CCC[N@@H+]([C@@H](C)CO)CC2)c2cc(OC(F)F)ccc2[nH+]1 ZINC000468749170 502169902 /nfs/dbraw/zinc/16/99/02/502169902.db2.gz JCBYZIWAFWUEJP-AWEZNQCLSA-N 2 0 365.424 3.038 20 0 FGADRP CCN(CCC[NH+](CC)CC)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000472051713 502211494 /nfs/dbraw/zinc/21/14/94/502211494.db2.gz IJKSCEKNBNLTMR-VQTJNVASSA-N 2 0 360.546 3.195 20 0 FGADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H](C)c1cc(S(N)(=O)=O)c(C)cc1C ZINC000479367586 502236165 /nfs/dbraw/zinc/23/61/65/502236165.db2.gz WWFSIVBJAHANTQ-DLBZAZTESA-N 2 0 369.575 3.112 20 0 FGADRP C[N@@H+]1CCCC[C@@H]1CCC(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000486704442 502237569 /nfs/dbraw/zinc/23/75/69/502237569.db2.gz BRVRKWZWLHMTEI-OAQYLSRUSA-N 2 0 357.542 3.279 20 0 FGADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1ccc(Br)cc1Cl ZINC000472135950 502243582 /nfs/dbraw/zinc/24/35/82/502243582.db2.gz FVBDUOFIUWSGGE-CYBMUJFWSA-N 2 0 374.754 3.218 20 0 FGADRP CCCN(CC[NH+](CC)CC)C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000461946411 502247772 /nfs/dbraw/zinc/24/77/72/502247772.db2.gz GSGLERPFHKTQBF-PMACEKPBSA-N 2 0 360.546 3.195 20 0 FGADRP CC[NH+](CC)CCNC(=O)N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000479412566 502251842 /nfs/dbraw/zinc/25/18/42/502251842.db2.gz JAPJIKMFIMEGEC-GOSISDBHSA-N 2 0 352.567 3.014 20 0 FGADRP CC(C)OCC[C@H](O)C[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000472163678 502254384 /nfs/dbraw/zinc/25/43/84/502254384.db2.gz ULMUYWFDUCMEKR-VXKWHMMOSA-N 2 0 360.542 3.151 20 0 FGADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N(CC[NH+](C)C)Cc1cccc(Cl)c1 ZINC000461974991 502259500 /nfs/dbraw/zinc/25/95/00/502259500.db2.gz RILVYHNUXOITFL-HOTGVXAUSA-N 2 0 351.922 3.103 20 0 FGADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N(CC[NH+](C)C)Cc1cccc(Cl)c1 ZINC000461974993 502260165 /nfs/dbraw/zinc/26/01/65/502260165.db2.gz RILVYHNUXOITFL-IYBDPMFKSA-N 2 0 351.922 3.103 20 0 FGADRP C[NH+]1CCC(C(=O)N2CC[NH+](CCC34CC5CC(CC(C5)C3)C4)CC2)CC1 ZINC000469096961 502296299 /nfs/dbraw/zinc/29/62/99/502296299.db2.gz ZWTALPNVUZOCPN-UHFFFAOYSA-N 2 0 373.585 3.079 20 0 FGADRP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)NC(C)(C)CC[NH+]2CCCCCC2)C1 ZINC000483181035 502304572 /nfs/dbraw/zinc/30/45/72/502304572.db2.gz RNBFGYNDRGRRMR-IBGZPJMESA-N 2 0 366.594 3.308 20 0 FGADRP C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)[NH+](C)Cc1ccccc1 ZINC000483196439 502310851 /nfs/dbraw/zinc/31/08/51/502310851.db2.gz JMMPJOUBKPITDP-AZUAARDMSA-N 2 0 357.542 3.278 20 0 FGADRP O[C@@]1(C[NH2+][C@H]2Cc3ccc(Cl)cc3C2)CCN(Cc2ccccc2)C1 ZINC000462115145 502312011 /nfs/dbraw/zinc/31/20/11/502312011.db2.gz DASLLTQQZXSXHE-LEWJYISDSA-N 2 0 356.897 3.034 20 0 FGADRP CCOc1c(Cl)cccc1C[NH2+]C[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC000486988208 502325498 /nfs/dbraw/zinc/32/54/98/502325498.db2.gz HYPPKVHYIKLTBD-SFHVURJKSA-N 2 0 353.938 3.100 20 0 FGADRP CC[C@H](C(=O)N1CCN([C@@H](C)c2cccc(OC)c2)CC1)[NH+](CC)CC ZINC000469195585 502332294 /nfs/dbraw/zinc/33/22/94/502332294.db2.gz NJHVJCVUUNJUTP-FXAWDEMLSA-N 2 0 361.530 3.021 20 0 FGADRP C[NH+](C)Cc1ccccc1C(=O)NC[C@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000487064045 502345482 /nfs/dbraw/zinc/34/54/82/502345482.db2.gz BMOXYOBKEBWWSO-JOCHJYFZSA-N 2 0 365.521 3.389 20 0 FGADRP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1)C1(c2ccccc2)CCCC1 ZINC000476011712 502357633 /nfs/dbraw/zinc/35/76/33/502357633.db2.gz NWUJGZUZGWWNSU-MOPGFXCFSA-N 2 0 357.542 3.064 20 0 FGADRP CCC[N@@H+]1CC[C@@H](CNC(=O)N2CC[C@H](C)[NH+](Cc3ccccc3)CC2)C1 ZINC000465744686 502367023 /nfs/dbraw/zinc/36/70/23/502367023.db2.gz FFJHYJVOCXGBPC-FPOVZHCZSA-N 2 0 372.557 3.024 20 0 FGADRP CCC[C@H]([NH2+]C(C)C)C(=O)N[C@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21 ZINC000479835503 502392308 /nfs/dbraw/zinc/39/23/08/502392308.db2.gz BBCXIEXMQNNEQP-OALUTQOASA-N 2 0 373.541 3.258 20 0 FGADRP C[C@H]1CCN(C(=O)NCC[NH+](C)C2CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000465861124 502406195 /nfs/dbraw/zinc/40/61/95/502406195.db2.gz YLUWIECWVCSKCK-IBGZPJMESA-N 2 0 372.557 3.167 20 0 FGADRP COc1cc2c(NC[C@H](C(C)C)[NH+]3CCN(C)CC3)cc[nH+]c2cc1F ZINC000479936965 502423726 /nfs/dbraw/zinc/42/37/26/502423726.db2.gz CDWGJUXYCJSYND-LJQANCHMSA-N 2 0 360.477 3.066 20 0 FGADRP O=C(CC[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1)N[C@@H](c1cccs1)c1ccccc1 ZINC000462411148 502427003 /nfs/dbraw/zinc/42/70/03/502427003.db2.gz WHAJSKPQTIGCFB-NHCUHLMSSA-N 2 0 369.534 3.029 20 0 FGADRP CC1CC[NH+](CC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)CC1 ZINC000483600119 502440329 /nfs/dbraw/zinc/44/03/29/502440329.db2.gz RIGDXDCBYZXZKF-VXKWHMMOSA-N 2 0 369.553 3.231 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NCCCC[NH+]2C[C@H](C)C[C@@H](C)C2)C[C@@H]1C ZINC000483690445 502464201 /nfs/dbraw/zinc/46/42/01/502464201.db2.gz GQHAJZIVTXAGBQ-ZRNYENFQSA-N 2 0 366.594 3.259 20 0 FGADRP C[C@@H]1CCC[C@@](CNC(=O)NC2CC[NH+](C3CCCC3)CC2)([NH+](C)C)C1 ZINC000483688147 502464326 /nfs/dbraw/zinc/46/43/26/502464326.db2.gz CQBRAPLSEJWFAC-DYESRHJHSA-N 2 0 364.578 3.203 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@@H](C)[NH+](C)Cc2ccccc2)C[C@@H]1C ZINC000483794645 502495370 /nfs/dbraw/zinc/49/53/70/502495370.db2.gz QIJLIVUNPLHZKK-NSHGMRRFSA-N 2 0 360.546 3.021 20 0 FGADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@H](CO)Cc1cccc(OC(F)(F)F)c1 ZINC000483821517 502501796 /nfs/dbraw/zinc/50/17/96/502501796.db2.gz NBMLJENUQFFESX-SZXPJGKVSA-N 2 0 374.447 3.055 20 0 FGADRP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H](C)CCCC(F)(F)F)cn2)CC1 ZINC000480278109 502522753 /nfs/dbraw/zinc/52/27/53/502522753.db2.gz ZFOYZCFWONDXHT-HNNXBMFYSA-N 2 0 358.452 3.434 20 0 FGADRP C[NH+](C)CCOc1cccc(NC(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)c1 ZINC000466295821 502530279 /nfs/dbraw/zinc/53/02/79/502530279.db2.gz HHKZHKTYTYRSRG-LJQANCHMSA-N 2 0 374.529 3.013 20 0 FGADRP Cc1cccc2c1[nH+]cc(C)c2N1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000462700301 502538969 /nfs/dbraw/zinc/53/89/69/502538969.db2.gz VFHRSHLYHIQOPA-GOSISDBHSA-N 2 0 352.526 3.456 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N1CC[NH+](C2CCC2)C[C@H](C)C1 ZINC000487826041 502540745 /nfs/dbraw/zinc/54/07/45/502540745.db2.gz WVVPHSPBSJQGHN-RBUKOAKNSA-N 2 0 364.578 3.157 20 0 FGADRP OC1CC[NH+](Cc2ccccc2C[NH2+][C@@H]2CCC[C@@H]([C@@H]3CCOC3)C2)CC1 ZINC000466345190 502542936 /nfs/dbraw/zinc/54/29/36/502542936.db2.gz DRCJVDDEZCBWHV-STZQEDGTSA-N 2 0 372.553 3.328 20 0 FGADRP C[C@H]1CC[N@H+](C)CCN1C(=O)NC[C@H]1CCCC[NH+](Cc2ccccc2)C1 ZINC000462749071 502556586 /nfs/dbraw/zinc/55/65/86/502556586.db2.gz GWKGLJIZUAQGBK-PZJWPPBQSA-N 2 0 372.557 3.024 20 0 FGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000473496761 502610292 /nfs/dbraw/zinc/61/02/92/502610292.db2.gz IKLMYSSXBKBJJI-GGAORHGYSA-N 2 0 369.553 3.376 20 0 FGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000473496762 502610440 /nfs/dbraw/zinc/61/04/40/502610440.db2.gz IKLMYSSXBKBJJI-GMAHTHKFSA-N 2 0 369.553 3.376 20 0 FGADRP CC[C@H](C)[NH2+][C@H](CNC(=O)NC[C@@H](C)C[NH+]1CCCCC1)c1ccco1 ZINC000484290290 502616085 /nfs/dbraw/zinc/61/60/85/502616085.db2.gz BZMSKMBEVUMGMB-FGTMMUONSA-N 2 0 364.534 3.130 20 0 FGADRP C[C@@H](C(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1)[NH+]1CCCCCC1 ZINC000469979805 502617052 /nfs/dbraw/zinc/61/70/52/502617052.db2.gz ABKIXAVZJGNNBZ-IBGZPJMESA-N 2 0 373.541 3.042 20 0 FGADRP C[C@@H]([NH2+]CCCC[NH+]1CCC(C)CC1)c1cccc(NS(C)(=O)=O)c1 ZINC000480641694 502630194 /nfs/dbraw/zinc/63/01/94/502630194.db2.gz QKBXCFXUJJYJNF-QGZVFWFLSA-N 2 0 367.559 3.221 20 0 FGADRP Cc1ccccc1[C@H]([C@H](C)NC(=O)NCCC[NH+]1CCCCC1)[NH+](C)C ZINC000476984056 502641179 /nfs/dbraw/zinc/64/11/79/502641179.db2.gz PZVVDDAUKFCHBH-ICSRJNTNSA-N 2 0 360.546 3.161 20 0 FGADRP CC(C[NH+]1CCC[C@@]2(CCCOC2)C1)C[N@@H+]1CCC[C@@]2(CCCOC2)C1 ZINC000477053142 502663444 /nfs/dbraw/zinc/66/34/44/502663444.db2.gz ZDCNRYFIRDQVPL-FGZHOGPDSA-N 2 0 364.574 3.408 20 0 FGADRP C[C@@H](C[NH+]1CCC[C@]2(CCCOC2)C1)C[N@@H+]1CCC[C@@]2(CCCOC2)C1 ZINC000477053141 502663874 /nfs/dbraw/zinc/66/38/74/502663874.db2.gz ZDCNRYFIRDQVPL-DKUWSORSSA-N 2 0 364.574 3.408 20 0 FGADRP CC[NH+](CC)CC1CC[NH+](CC(=O)N[C@@H](C)Cc2ccccc2C)CC1 ZINC000488329281 502685292 /nfs/dbraw/zinc/68/52/92/502685292.db2.gz WTLRYDGRCFJBNR-IBGZPJMESA-N 2 0 359.558 3.096 20 0 FGADRP Cc1nc2ccccc2n1CCCCC[NH+]1CCC([N@@H+](C)C[C@@H](C)O)CC1 ZINC000463087744 502689746 /nfs/dbraw/zinc/68/97/46/502689746.db2.gz WQPUQGDNLRZVFT-GOSISDBHSA-N 2 0 372.557 3.292 20 0 FGADRP C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)NCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000484693544 502710554 /nfs/dbraw/zinc/71/05/54/502710554.db2.gz GNTYMIOKMFIJRZ-HCXYKTFWSA-N 2 0 364.578 3.011 20 0 FGADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC[C@H]2CCC[NH+](C(C)C)C2)C1 ZINC000477225711 502712227 /nfs/dbraw/zinc/71/22/27/502712227.db2.gz WJZOGPNQIKCAGF-RTBURBONSA-N 2 0 366.594 3.307 20 0 FGADRP C[C@@H](NC(=O)[C@@H](C)[NH+]1CCC(C[NH+](C)C)CC1)c1ccc(Cl)cc1 ZINC000480969264 502716809 /nfs/dbraw/zinc/71/68/09/502716809.db2.gz VPGXANLOCLTBIB-HUUCEWRRSA-N 2 0 351.922 3.179 20 0 FGADRP Cc1nc2ccccc2n1CCCCC[N@@H+]1CCOC[C@H]1[C@@H]1CCCO1 ZINC000463210050 502720228 /nfs/dbraw/zinc/72/02/28/502720228.db2.gz AZVXCPZZNLTABX-SFTDATJTSA-N 2 0 357.498 3.395 20 0 FGADRP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCC[C@@H]2C[NH+]2CCCC2)C1 ZINC000477266891 502724295 /nfs/dbraw/zinc/72/42/95/502724295.db2.gz PTNBYMUIJCBGQE-RBUKOAKNSA-N 2 0 364.578 3.157 20 0 FGADRP CC1CC[NH+]([C@H](CNC(=O)N(C)CC[N@H+](C)C2CC2)c2ccccc2)CC1 ZINC000473907471 502745465 /nfs/dbraw/zinc/74/54/65/502745465.db2.gz ZEQMSARFVNVSTO-OAQYLSRUSA-N 2 0 372.557 3.195 20 0 FGADRP C[C@@H](CNC(=O)N1CCC[C@@H]1C[NH+]1CCCCC1)[N@H+](C)Cc1ccccc1 ZINC000477342549 502748570 /nfs/dbraw/zinc/74/85/70/502748570.db2.gz RYGZVIVVBKVFBN-PZJWPPBQSA-N 2 0 372.557 3.167 20 0 FGADRP C[N@@H+]1CCC[C@H](CNC(=O)c2ccc3c(c2)C[NH2+]C3)[C@@H]1c1cccs1 ZINC000470366032 502752171 /nfs/dbraw/zinc/75/21/71/502752171.db2.gz BGIQVTRBJSTEMK-VQIMIIECSA-N 2 0 355.507 3.164 20 0 FGADRP CC[NH+](CC)CC1CC[NH+]([C@@H]2CCCN(c3ccccc3F)C2=O)CC1 ZINC000488589206 502759064 /nfs/dbraw/zinc/75/90/64/502759064.db2.gz XZGMNFJTPAQPLJ-HXUWFJFHSA-N 2 0 361.505 3.375 20 0 FGADRP COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+]CC1CC[NH+](CCN(C)C)CC1 ZINC000474019714 502781796 /nfs/dbraw/zinc/78/17/96/502781796.db2.gz CJYKOHITESPTJE-NRFANRHFSA-N 2 0 359.558 3.281 20 0 FGADRP C[C@@H]([NH3+])[C@@H]1CCN(CC(=O)Nc2ccccc2Sc2ccccc2)C1 ZINC000484946871 502785019 /nfs/dbraw/zinc/78/50/19/502785019.db2.gz NTYRQFOMICADGU-HZPDHXFCSA-N 2 0 355.507 3.445 20 0 FGADRP CCC[C@H]([NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1)c1ccccn1 ZINC000500623943 502829137 /nfs/dbraw/zinc/82/91/37/502829137.db2.gz LVMXZOVROICTQW-FQEVSTJZSA-N 3 0 353.514 3.120 20 0 FGADRP C[NH+](C)CCCC1CCN(C(=O)NCC2([NH+](C)C)CCCCCC2)CC1 ZINC000500804819 502867053 /nfs/dbraw/zinc/86/70/53/502867053.db2.gz LHWYQTAHTZAFLJ-UHFFFAOYSA-N 2 0 366.594 3.404 20 0 FGADRP CCC[N@H+](CC)Cc1ccc(C(=O)N2CC[C@]3(C2)CCC[NH+](C)C3)cc1 ZINC000505509654 502921570 /nfs/dbraw/zinc/92/15/70/502921570.db2.gz HCGUHINGRUUKEO-JOCHJYFZSA-N 2 0 357.542 3.476 20 0 FGADRP C[NH+]1CCN(CCC[NH2+][C@@H](Cc2ccc(F)cc2)c2ccccc2)CC1 ZINC000501052233 502922993 /nfs/dbraw/zinc/92/29/93/502922993.db2.gz GROFLVFDSXFSSO-QFIPXVFZSA-N 2 0 355.501 3.337 20 0 FGADRP CN(CCC[NH+]1CCN(c2ccccc2)CC1)CC[C@@H]1CCCC[N@@H+]1C ZINC000509667427 502962718 /nfs/dbraw/zinc/96/27/18/502962718.db2.gz RBDCXXGDOQAAHM-NRFANRHFSA-N 2 0 358.574 3.005 20 0 FGADRP O=C(NCC1([NH+]2CCCCC2)CCCCC1)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000505703226 502970279 /nfs/dbraw/zinc/97/02/79/502970279.db2.gz MMASCMYCBMGPFC-OALUTQOASA-N 2 0 362.562 3.101 20 0 FGADRP CN(C)[C@H](C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1)c1ccccc1 ZINC000513580688 502970374 /nfs/dbraw/zinc/97/03/74/502970374.db2.gz QMVQLSKBAKXBKG-RTWAWAEBSA-N 2 0 351.494 3.070 20 0 FGADRP CC(C)CN(CC[NH+](C)C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000489516725 502976682 /nfs/dbraw/zinc/97/66/82/502976682.db2.gz TZAYOUXNGGUKQX-CTNGQTDRSA-N 2 0 374.573 3.126 20 0 FGADRP COCc1ccccc1/C=C(\C)C[NH2+]C[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC000509829680 502993885 /nfs/dbraw/zinc/99/38/85/502993885.db2.gz WUWBZYAMMYNOCC-SLTDHEAWSA-N 2 0 359.558 3.098 20 0 FGADRP C[N@@H+]1CC[C@H]([NH2+]CCOc2cccc(Br)c2)[C@H]2CCC[C@H]21 ZINC000513673506 502997753 /nfs/dbraw/zinc/99/77/53/502997753.db2.gz SMDFSZILBPXABR-IXDOHACOSA-N 2 0 353.304 3.290 20 0 FGADRP CC1CC[NH+](CCCCNC(=O)NC[C@@H](C2CCCCC2)[NH+](C)C)CC1 ZINC000501400879 503002226 /nfs/dbraw/zinc/00/22/26/503002226.db2.gz RGFWJLFOASAHHB-FQEVSTJZSA-N 2 0 366.594 3.308 20 0 FGADRP CCCCN(CC)C(=O)C[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000489683656 503010608 /nfs/dbraw/zinc/01/06/08/503010608.db2.gz KZAMSBWZMWPQCZ-UHFFFAOYSA-N 2 0 359.558 3.479 20 0 FGADRP C/C(=C/c1ccccc1C(F)(F)F)C[NH2+]C[C@@H](C)N1CC[NH+](C)CC1 ZINC000501473824 503016235 /nfs/dbraw/zinc/01/62/35/503016235.db2.gz CMJZTPGUXUIVMK-RTYFKUQISA-N 2 0 355.448 3.334 20 0 FGADRP C[N@@H+]1CCCC[C@@H]1CCC(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000497729788 503026465 /nfs/dbraw/zinc/02/64/65/503026465.db2.gz XPUBORVRNRLYHK-HXUWFJFHSA-N 2 0 373.541 3.042 20 0 FGADRP Cc1cc(C)cc(NC(=O)[C@@H](C)[NH+]2CCC(CC[NH+]3CCOCC3)CC2)c1 ZINC000513818587 503030039 /nfs/dbraw/zinc/03/00/39/503030039.db2.gz GIMCATHMIJMFLK-LJQANCHMSA-N 2 0 373.541 3.065 20 0 FGADRP C[N@@H+]1CCCC[C@@H]1CCC(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000497745108 503030525 /nfs/dbraw/zinc/03/05/25/503030525.db2.gz IDCCMZLTTXZVKN-GOSISDBHSA-N 2 0 367.603 3.119 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1CCNC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000501547175 503034697 /nfs/dbraw/zinc/03/46/97/503034697.db2.gz SIAZZKRZAAWTIZ-LJQANCHMSA-N 2 0 372.557 3.346 20 0 FGADRP Cc1cc(C)cc(NC(=O)C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)c1 ZINC000506042302 503035441 /nfs/dbraw/zinc/03/54/41/503035441.db2.gz QWTIZTDWFKMIPH-UHFFFAOYSA-N 2 0 373.541 3.066 20 0 FGADRP CC(C)[NH+]1CCC(C(=O)N2C[C@H](C)[N@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000501595916 503046399 /nfs/dbraw/zinc/04/63/99/503046399.db2.gz PBBAHAULIQCXIJ-OALUTQOASA-N 2 0 357.542 3.228 20 0 FGADRP CC[NH+](CC)Cc1ccc(CNC(=O)N[C@@H](C)C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000514027651 503072432 /nfs/dbraw/zinc/07/24/32/503072432.db2.gz UZFXNWKOISMTMA-MOPGFXCFSA-N 2 0 374.573 3.448 20 0 FGADRP C[NH+](C)CCCC1CC[NH+]([C@@H]2CCCN(c3cccc(F)c3)C2=O)CC1 ZINC000501768579 503075801 /nfs/dbraw/zinc/07/58/01/503075801.db2.gz CDDIUCXCJUHTDH-HXUWFJFHSA-N 2 0 361.505 3.375 20 0 FGADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)C1 ZINC000501773844 503077575 /nfs/dbraw/zinc/07/75/75/503077575.db2.gz DYCKLMGJGKLTKE-AABGKKOBSA-N 2 0 366.594 3.166 20 0 FGADRP CCN(C)[C@@H](C(=O)NC[C@H](C)[N@@H+]1CCc2ccccc2C1)c1ccccc1 ZINC000489979046 503081043 /nfs/dbraw/zinc/08/10/43/503081043.db2.gz GPSGTEMBCCDBBM-PGRDOPGGSA-N 2 0 365.521 3.242 20 0 FGADRP CC(C)[C@@H](CNC(=O)N1CCCC12CC[NH+](C)CC2)[NH+]1CCC(C)CC1 ZINC000510345960 503096065 /nfs/dbraw/zinc/09/60/65/503096065.db2.gz IRFGPXREVRWVQC-LJQANCHMSA-N 2 0 364.578 3.013 20 0 FGADRP CCCC[NH+]1CCC(NC(=O)NC[C@@H](c2ccc(CC)cc2)[NH+](C)C)CC1 ZINC000514163621 503102515 /nfs/dbraw/zinc/10/25/15/503102515.db2.gz ZUWDVAFDJGUWCS-NRFANRHFSA-N 2 0 374.573 3.415 20 0 FGADRP COCc1ccccc1/C=C(\C)C[NH2+]C1CCN(C2CC[NH+](C)CC2)CC1 ZINC000510391019 503105026 /nfs/dbraw/zinc/10/50/26/503105026.db2.gz GJIDIGOHBJALEX-KNTRCKAVSA-N 2 0 371.569 3.385 20 0 FGADRP Cc1ccc([C@H]2C[C@H](C)[N@H+](CC(=O)NC3CC[NH+](C(C)C)CC3)C2)cc1 ZINC000490088761 503106728 /nfs/dbraw/zinc/10/67/28/503106728.db2.gz JEJDGHZCWDKZBB-ICSRJNTNSA-N 2 0 357.542 3.162 20 0 FGADRP CC[C@H](C)[NH2+][C@H](CNC(=O)NCC1(C[NH+](C)C)CCCC1)c1ccco1 ZINC000501920660 503108994 /nfs/dbraw/zinc/10/89/94/503108994.db2.gz VOSDBDAWXFNCHY-DLBZAZTESA-N 2 0 364.534 3.130 20 0 FGADRP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000514222108 503117045 /nfs/dbraw/zinc/11/70/45/503117045.db2.gz MFXKUXWRZUVGEZ-DFGXFYAUSA-N 2 0 366.575 3.016 20 0 FGADRP Cc1ccc([C@H](CNC(=O)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)[NH+](C)C)cc1 ZINC000514220104 503117052 /nfs/dbraw/zinc/11/70/52/503117052.db2.gz UWLHYURNDOOPCG-SBHAEUEKSA-N 2 0 374.573 3.265 20 0 FGADRP CCC[NH+]1CCC(CNC(=O)N[C@H](C)[C@@H](c2ccccc2C)[NH+](C)C)CC1 ZINC000490185704 503126171 /nfs/dbraw/zinc/12/61/71/503126171.db2.gz ZNHNQEBRUOZIEZ-NQIIRXRSSA-N 2 0 374.573 3.407 20 0 FGADRP CCCC[NH+]1CCC(NC(=O)N(CC)CC[NH+]2CCCCCC2)CC1 ZINC000490215894 503132581 /nfs/dbraw/zinc/13/25/81/503132581.db2.gz IOIVSUHMGAOYMB-UHFFFAOYSA-N 2 0 352.567 3.158 20 0 FGADRP CC[N@@H+]1C[C@H](C)N(C(=O)NC2CC[NH+]([C@@H](C)c3ccccc3)CC2)C[C@H]1C ZINC000498239159 503139111 /nfs/dbraw/zinc/13/91/11/503139111.db2.gz LVDHJRDIWLEEFS-QYZOEREBSA-N 2 0 372.557 3.336 20 0 FGADRP C[C@@H](NC(=O)c1ccc(SCc2cn3ccccc3n2)cc1)[C@H](C)[NH3+] ZINC000514602969 503147263 /nfs/dbraw/zinc/14/72/63/503147263.db2.gz VIDCPKOKBVAPEY-UONOGXRCSA-N 2 0 354.479 3.092 20 0 FGADRP CCCC[NH+]1CCC(NC(=O)Nc2cccc(OCC[NH+](C)C)c2)CC1 ZINC000502219093 503164491 /nfs/dbraw/zinc/16/44/91/503164491.db2.gz YDOCEUUADLOLCJ-UHFFFAOYSA-N 2 0 362.518 3.013 20 0 FGADRP Cc1cc(OCCC[C@@H](C)[NH2+]C[C@@H](C)N2CC[NH+](C)CC2)ccc1Cl ZINC000510654290 503165522 /nfs/dbraw/zinc/16/55/22/503165522.db2.gz WTYGHGRJXDGNKU-QZTJIDSGSA-N 2 0 367.965 3.421 20 0 FGADRP C[NH+]1CCN(c2ccc(N[C@@H]3CCC[C@H](c4cccnc4)C3)nc2)CC1 ZINC000502247884 503169580 /nfs/dbraw/zinc/16/95/80/503169580.db2.gz JYZKXITZDPADCI-PKOBYXMFSA-N 2 0 351.498 3.367 20 0 FGADRP C[C@H](C(=O)NCC(C)(C)[NH+]1CCc2ccccc2C1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000510778976 503190612 /nfs/dbraw/zinc/19/06/12/503190612.db2.gz BOTQZJJZZVZWFW-FGTMMUONSA-N 2 0 357.542 3.201 20 0 FGADRP CC[NH+](CC)C[C@H](C)NC(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000506935941 503197818 /nfs/dbraw/zinc/19/78/18/503197818.db2.gz UQJDLIIMQYCNDH-OTWHNJEPSA-N 2 0 352.567 3.013 20 0 FGADRP Cc1ccc(-c2nc(CN3CC[C@@H]([NH+]4CCN(C)CC4)[C@H](C)C3)cs2)o1 ZINC000490651139 503209023 /nfs/dbraw/zinc/20/90/23/503209023.db2.gz RCEPSUODZOCILD-CRAIPNDOSA-N 2 0 374.554 3.169 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)c1cccc(C[NH+](C)C)c1)Cc1ccccc1 ZINC000498555987 503210685 /nfs/dbraw/zinc/21/06/85/503210685.db2.gz DDDOCPFGBDKJIH-JOCHJYFZSA-N 2 0 367.537 3.431 20 0 FGADRP C[NH2+][C@H](CC(C)(C)C)C(=O)N1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000514860603 503213071 /nfs/dbraw/zinc/21/30/71/503213071.db2.gz ZXOQSZQYNYCVNB-HXUWFJFHSA-N 2 0 359.558 3.381 20 0 FGADRP CCc1ccc(NC(=O)NCCN2CCC([NH+](C)C)CC2)cc1Cl ZINC000490868832 503239208 /nfs/dbraw/zinc/23/92/08/503239208.db2.gz IYZDJOGTZJXGIL-UHFFFAOYSA-N 2 0 352.910 3.050 20 0 FGADRP COCC[C@@H]1CCC[C@H]1[NH2+]CCCN1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000502688364 503251509 /nfs/dbraw/zinc/25/15/09/503251509.db2.gz WCXMOHDHLPJGLV-NNWRFLSQSA-N 2 0 359.558 3.160 20 0 FGADRP C[NH+](C)CCOc1cnccc1C[NH2+][C@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC000515088917 503268870 /nfs/dbraw/zinc/26/88/70/503268870.db2.gz CSWYZCGASXOITN-SFTDATJTSA-N 2 0 369.509 3.358 20 0 FGADRP C[C@@H](NC(=O)N1CC[N@@H+]([C@@H]2C[C@@H]2C)C[C@H](C)C1)[C@H](c1ccccc1)[NH+](C)C ZINC000491109623 503274290 /nfs/dbraw/zinc/27/42/90/503274290.db2.gz TXVUUBVFNOYSIU-FSAOVCISSA-N 2 0 372.557 3.050 20 0 FGADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000502832395 503283450 /nfs/dbraw/zinc/28/34/50/503283450.db2.gz RMYIBOUFSLBIIV-MHJFOBGBSA-N 2 0 364.578 3.203 20 0 FGADRP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)NCC1([NH+](C)C)CCCCC1 ZINC000502862467 503291887 /nfs/dbraw/zinc/29/18/87/503291887.db2.gz NLULWRGWUWLEBH-SFHVURJKSA-N 2 0 352.567 3.205 20 0 FGADRP CC[N@@H+]1CCC[C@H](CNC(=O)NCC(C)(C)[NH2+][C@@H](C)c2ccccc2)C1 ZINC000507415087 503295861 /nfs/dbraw/zinc/29/58/61/503295861.db2.gz SMSPNYCBJGGRBG-ZWKOTPCHSA-N 2 0 360.546 3.147 20 0 FGADRP CC[N@@H+]1CCC[C@H](CNC(=O)NC2CC[NH+]([C@@H](C)c3ccccc3)CC2)C1 ZINC000507415174 503296930 /nfs/dbraw/zinc/29/69/30/503296930.db2.gz UCYRSCISSPFLMV-RBUKOAKNSA-N 2 0 372.557 3.243 20 0 FGADRP CC[C@H](C)[NH2+][C@@H](CNC(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1)c1ccco1 ZINC000502899931 503303536 /nfs/dbraw/zinc/30/35/36/503303536.db2.gz QESVJINPIRAVCA-SZMVWBNQSA-N 2 0 362.518 3.025 20 0 FGADRP Cc1ccccc1[C@H]([C@@H](C)NC(=O)NCC(C)(C)C[NH+]1CCCC1)[NH+](C)C ZINC000503091113 503345518 /nfs/dbraw/zinc/34/55/18/503345518.db2.gz FGESTYAHWQBIHW-QUCCMNQESA-N 2 0 374.573 3.407 20 0 FGADRP CC[C@@H](C)[NH2+][C@H](CNC(=O)NC1CC([NH+]2CCCCC2)C1)c1ccco1 ZINC000503428398 503407340 /nfs/dbraw/zinc/40/73/40/503407340.db2.gz OEJAVQQURNYTOB-AQEOSJORSA-N 2 0 362.518 3.025 20 0 FGADRP CC1CC[NH+](CCNC(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)CC1 ZINC000503443842 503410584 /nfs/dbraw/zinc/41/05/84/503410584.db2.gz SCIUZPCEVOGHHY-FQEVSTJZSA-N 2 0 364.578 3.016 20 0 FGADRP CC(C)[NH+](CCN(C)C(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C)C(C)C ZINC000508032636 503416731 /nfs/dbraw/zinc/41/67/31/503416731.db2.gz LOCJJMUENIEOHQ-IBGZPJMESA-N 2 0 366.525 3.189 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CCSc1ccccc1 ZINC000499511285 503421966 /nfs/dbraw/zinc/42/19/66/503421966.db2.gz ZUMGOTACBZSGIA-SFHVURJKSA-N 2 0 363.571 3.043 20 0 FGADRP CC(C)[NH+](CCNC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1)C(C)C ZINC000503496451 503422281 /nfs/dbraw/zinc/42/22/81/503422281.db2.gz ABVAVSCAKBOHMT-FQEVSTJZSA-N 2 0 366.594 3.403 20 0 FGADRP Cc1cc(Br)cc2c1[C@@H]([NH2+]CC1CC[NH+](CCO)CC1)CC2 ZINC000493945388 503463227 /nfs/dbraw/zinc/46/32/27/503463227.db2.gz QPTMNPYOKHOEGY-KRWDZBQOSA-N 2 0 367.331 3.039 20 0 FGADRP Cc1nn2c(C[N@@H+]3CC[C@H](C4CC[NH+](C)CC4)C3)c(C(C)C)nc2s1 ZINC000516215263 503472834 /nfs/dbraw/zinc/47/28/34/503472834.db2.gz NVYFJIXAUWLBRZ-INIZCTEOSA-N 2 0 361.559 3.386 20 0 FGADRP CC[NH+](CC)CC1CCN(C(=O)N[C@H](C)C[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000516245643 503480768 /nfs/dbraw/zinc/48/07/68/503480768.db2.gz RTYHZDJRDRBUSJ-GUDVDZBRSA-N 2 0 366.594 3.116 20 0 FGADRP CCC[C@H]([NH2+]C(C)C)C(=O)N[C@H]1CC[N@H+](C2CC2)[C@@H]1c1cccc(OC)c1 ZINC000503867329 503480940 /nfs/dbraw/zinc/48/09/40/503480940.db2.gz BLFOMQRSHLATHY-PCCBWWKXSA-N 2 0 373.541 3.256 20 0 FGADRP C[C@H](NC(=O)CC[C@@H]1CCCC[N@@H+]1C)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000503882171 503483133 /nfs/dbraw/zinc/48/31/33/503483133.db2.gz FQFVICPXNSBAJS-TYPHKJRUSA-N 2 0 357.542 3.278 20 0 FGADRP C[NH+]1CCC(C)(C[NH2+]Cc2cn(-c3ccc(Cl)cc3Cl)nn2)CC1 ZINC000503921730 503489755 /nfs/dbraw/zinc/48/97/55/503489755.db2.gz RYDQJQBEADTRSK-UHFFFAOYSA-N 2 0 368.312 3.396 20 0 FGADRP O=C(NCCC[NH+]1CCCC1)C1CC[NH+](C[C@@H]2C[C@@H]2c2ccccc2)CC1 ZINC000516347729 503498519 /nfs/dbraw/zinc/49/85/19/503498519.db2.gz FIDJHJYEZUMKDN-FCHUYYIVSA-N 2 0 369.553 3.104 20 0 FGADRP c1ccc(OCC2CC2)c(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)c1 ZINC000512400740 503538373 /nfs/dbraw/zinc/53/83/73/503538373.db2.gz RKLHAXPDWXXPJW-UHFFFAOYSA-N 2 0 358.526 3.410 20 0 FGADRP Cc1nc2ccc(C[NH+]3CCC(C[NH+]4CCN(C)CC4)CC3)cc2s1 ZINC000516604022 503547437 /nfs/dbraw/zinc/54/74/37/503547437.db2.gz LTHSXFBBYAKPPT-UHFFFAOYSA-N 2 0 358.555 3.064 20 0 FGADRP C[C@@H]1C[C@H](CCNC(=O)N2CCC[C@H]([NH+](C)C)C2)C[N@@H+]1Cc1ccccc1 ZINC000512435492 503550256 /nfs/dbraw/zinc/55/02/56/503550256.db2.gz JDIYFCBDRDINRS-GIVPXCGWSA-N 2 0 372.557 3.023 20 0 FGADRP O=C(NCC1([NH+]2CCCCC2)CCCCC1)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000504316333 503554862 /nfs/dbraw/zinc/55/48/62/503554862.db2.gz HBDCGFOAPTXOAG-MOPGFXCFSA-N 2 0 362.562 3.101 20 0 FGADRP C[C@@H](NC(=O)N(CC[NH+](C)C)C1CCCC1)[C@H](c1ccccc1)[NH+](C)C ZINC000508856724 503579003 /nfs/dbraw/zinc/57/90/03/503579003.db2.gz WCYPJSXTWWZGLQ-YLJYHZDGSA-N 2 0 360.546 3.194 20 0 FGADRP Cc1ccccc1[C@H]([C@H](C)NC(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1)[NH+](C)C ZINC000508895908 503592313 /nfs/dbraw/zinc/59/23/13/503592313.db2.gz MAZKXRWLLDXFJE-GNBUJSLZSA-N 2 0 360.546 3.110 20 0 FGADRP C[C@@H](NC(=O)N(CC[NH+](C)C)Cc1ccco1)[C@H](c1ccccc1)[NH+](C)C ZINC000508903907 503596093 /nfs/dbraw/zinc/59/60/93/503596093.db2.gz YLCOEMFMUWUQDP-YLJYHZDGSA-N 2 0 372.513 3.044 20 0 FGADRP CN(C)[C@]1(C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CCSC1 ZINC000512625912 503598021 /nfs/dbraw/zinc/59/80/21/503598021.db2.gz QWRFTLFFIBWKGQ-CBPXPLCBSA-N 2 0 373.610 3.314 20 0 FGADRP Cc1ccccc1[C@H]([C@H](C)NC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1)[NH+](C)C ZINC000508923803 503601529 /nfs/dbraw/zinc/60/15/29/503601529.db2.gz OLEOIPZWUMHFKC-QIJZPMMNSA-N 2 0 372.557 3.112 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)c1ccc(C[NH+](C)C)cc1 ZINC000500440570 503625477 /nfs/dbraw/zinc/62/54/77/503625477.db2.gz WJKLBYUXNRRGAE-RBUKOAKNSA-N 2 0 365.521 3.483 20 0 FGADRP CC[NH+](CC)Cc1ccc(CNC(=O)N2CCC[C@@H]2C[NH+]2CCCC2)cc1 ZINC000517101073 503668635 /nfs/dbraw/zinc/66/86/35/503668635.db2.gz NEELLSCAWVXLOF-OAQYLSRUSA-N 2 0 372.557 3.298 20 0 FGADRP Cc1ccc([C@@H](CNC(=O)N2CCC[C@H]2C[NH+]2CCCCC2)[NH+](C)C)cc1 ZINC000517112047 503672006 /nfs/dbraw/zinc/67/20/06/503672006.db2.gz IEKXHVZLCUGDJN-LEWJYISDSA-N 2 0 372.557 3.258 20 0 FGADRP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](Cc3cccc(-c4ccncc4)c3)C2)CC1 ZINC000536710787 503691533 /nfs/dbraw/zinc/69/15/33/503691533.db2.gz RTPITDXJUKKWAV-HSZRJFAPSA-N 2 0 364.537 3.349 20 0 FGADRP C[C@H]1C[C@@H]([NH2+]Cc2ccnc(-n3cccn3)c2)CCN1Cc1ccccc1 ZINC000517255813 503694372 /nfs/dbraw/zinc/69/43/72/503694372.db2.gz XQRITVHZCBNRHW-RXVVDRJESA-N 2 0 361.493 3.410 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccc(-c2ccccc2)o1 ZINC000543282662 503710201 /nfs/dbraw/zinc/71/02/01/503710201.db2.gz GKHDFWSAZOUMHZ-LJQANCHMSA-N 2 0 369.509 3.435 20 0 FGADRP C[NH+](C)C[C@@H]1CCCN1C(=O)c1cccc(C[N@H+](C)Cc2ccccc2)c1 ZINC000543294150 503714285 /nfs/dbraw/zinc/71/42/85/503714285.db2.gz ZHEATFNNYVSEBW-QFIPXVFZSA-N 2 0 365.521 3.485 20 0 FGADRP C[NH+](C)CCN1CCC([NH2+][C@H](c2cccnc2)c2ccc(F)cc2F)CC1 ZINC000543410177 503758947 /nfs/dbraw/zinc/75/89/47/503758947.db2.gz YVTFSIHWQJRAMC-OAQYLSRUSA-N 2 0 374.479 3.065 20 0 FGADRP C[C@@H]1CCC[C@](CNC(=O)NCCC[NH2+]C2CCCCC2)([NH+](C)C)C1 ZINC000517510666 503760491 /nfs/dbraw/zinc/76/04/91/503760491.db2.gz BFAPBTWRGYLDKC-XLIONFOSSA-N 2 0 352.567 3.109 20 0 FGADRP COc1cc(Br)ccc1CCC[NH2+][C@H]1CC[N@H+](C)C[C@@H]1C ZINC000543418279 503761757 /nfs/dbraw/zinc/76/17/57/503761757.db2.gz RZHCQVPREJWVGZ-BBRMVZONSA-N 2 0 355.320 3.320 20 0 FGADRP CCC(C)(C)[NH2+][C@H](C)C(=O)NC[C@@H](c1ccccc1OC)[NH+]1CCCC1 ZINC000543417288 503762106 /nfs/dbraw/zinc/76/21/06/503762106.db2.gz RKLPAZRHJNGERY-AEFFLSMTSA-N 2 0 361.530 3.115 20 0 FGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]Cc2ccc(OC)nc2)CC1 ZINC000540410288 503762350 /nfs/dbraw/zinc/76/23/50/503762350.db2.gz NOGYMVYUMLCAOA-INIZCTEOSA-N 2 0 372.488 3.222 20 0 FGADRP C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)NCc2ccc(C[NH+](C)C)cc2)C1 ZINC000517541680 503766802 /nfs/dbraw/zinc/76/68/02/503766802.db2.gz PKFMINWXBOPYHE-ROUUACIJSA-N 2 0 374.573 3.304 20 0 FGADRP C[C@H](C(=O)Nc1ccc(Br)cc1)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000533242777 503772202 /nfs/dbraw/zinc/77/22/02/503772202.db2.gz PXDCDGQQTZFYRU-CYBMUJFWSA-N 2 0 368.319 3.050 20 0 FGADRP C[C@H]1C[N@H+](CCOc2ccc(CC[NH2+][C@@H]3CC[NH+](C)C[C@@H]3C)cc2)C[C@H]1C ZINC000537093263 503800477 /nfs/dbraw/zinc/80/04/77/503800477.db2.gz FPRCQRBTQFYCSE-FAKFISEUSA-N 3 0 373.585 3.126 20 0 FGADRP CCO[C@@H]1C[C@H]([NH2+]C2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)C12CCCCC2 ZINC000540607031 503832970 /nfs/dbraw/zinc/83/29/70/503832970.db2.gz KSXBTZFDIAZWML-LWYYNNOASA-N 2 0 350.547 3.082 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)NC[C@H](C(C)C)[NH+]1CCCC1)c1ccco1 ZINC000517892939 503860519 /nfs/dbraw/zinc/86/05/19/503860519.db2.gz WPDOIPFKWWPIIH-MSOLQXFVSA-N 2 0 364.534 3.082 20 0 FGADRP CN(CCC(=O)N(CC[NH+]1CCCC1)c1ccccc1)c1cc[nH+]cc1 ZINC000543713894 503864197 /nfs/dbraw/zinc/86/41/97/503864197.db2.gz PGRVOIHPHVBTDT-UHFFFAOYSA-N 2 0 352.482 3.037 20 0 FGADRP C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)CCN(C)c2cc[nH+]cc2)C1 ZINC000543715226 503864219 /nfs/dbraw/zinc/86/42/19/503864219.db2.gz LKFYUNSDFWDUDI-RBUKOAKNSA-N 2 0 358.530 3.021 20 0 FGADRP C[C@H]1C[C@H]([NH2+]Cc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)C[C@@H](C)C1 ZINC000533497836 503865154 /nfs/dbraw/zinc/86/51/54/503865154.db2.gz CEESVSASCRSRFO-KJNZLNQQSA-N 2 0 357.542 3.298 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1)CC(C)C ZINC000517913528 503865685 /nfs/dbraw/zinc/86/56/85/503865685.db2.gz KMRUTNPTJUXPNP-OALUTQOASA-N 2 0 354.583 3.163 20 0 FGADRP COc1cc(OC)c(C2CC[NH+]([C@@H](C)CCCC[NH3+])CC2)c(OC)c1 ZINC000530207306 503875429 /nfs/dbraw/zinc/87/54/29/503875429.db2.gz DCXNWAQZHQCZSQ-HNNXBMFYSA-N 2 0 350.503 3.409 20 0 FGADRP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)c1c[nH+]ccc1N(C)C ZINC000546790041 503879912 /nfs/dbraw/zinc/87/99/12/503879912.db2.gz YXPDPZQSQVEQGJ-KRWDZBQOSA-N 2 0 366.509 3.452 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1)c1ccccc1 ZINC000518011105 503888361 /nfs/dbraw/zinc/88/83/61/503888361.db2.gz DOOCZCUSAHKDQU-TZIWHRDSSA-N 2 0 372.557 3.386 20 0 FGADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)NC[C@@H]2CC[NH+]2C2CCCC2)C1 ZINC000527691337 503897353 /nfs/dbraw/zinc/89/73/53/503897353.db2.gz JMXNHCZBJQKSIT-LMNJBCLMSA-N 2 0 370.541 3.138 20 0 FGADRP C[NH+](C)CCOc1cccc(NC(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)c1 ZINC000518098395 503908747 /nfs/dbraw/zinc/90/87/47/503908747.db2.gz DUPPCRCNPSCZHL-IBGZPJMESA-N 2 0 374.529 3.109 20 0 FGADRP CC[NH+](CC)Cc1ccc(C[NH2+][C@@H](Cc2ccc(Cl)cc2)C(N)=O)cc1 ZINC000546885714 503915500 /nfs/dbraw/zinc/91/55/00/503915500.db2.gz UBSUWOQIBADEDS-FQEVSTJZSA-N 2 0 373.928 3.368 20 0 FGADRP CC[NH+](CC)CCCC1CCN(C(=O)NCC[N@H+](C)C2CCCC2)CC1 ZINC000543880444 503926693 /nfs/dbraw/zinc/92/66/93/503926693.db2.gz NYSHKTNVJDOWEV-UHFFFAOYSA-N 2 0 366.594 3.404 20 0 FGADRP CCO[C@@H]1C[C@H]([NH2+]C2CC[NH+]([C@@H]3CCC[C@@H](C)C3)CC2)[C@]12CCCO2 ZINC000546961333 503938370 /nfs/dbraw/zinc/93/83/70/503938370.db2.gz GDQRYJYIDCPRGR-QNDFHXLGSA-N 2 0 350.547 3.346 20 0 FGADRP CC(C)[C@H](C[NH2+][C@@H]1CCc2cc(F)c(Cl)cc21)N1CC[NH+](C)CC1 ZINC000527854955 503973510 /nfs/dbraw/zinc/97/35/10/503973510.db2.gz ZKEAXOPSAJXFOC-MOPGFXCFSA-N 2 0 353.913 3.328 20 0 FGADRP CC[C@H](CCc1ccccc1)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000527853274 503974283 /nfs/dbraw/zinc/97/42/83/503974283.db2.gz TZKDUCTZWMXQJV-OAQYLSRUSA-N 2 0 352.526 3.334 20 0 FGADRP C[C@H]([NH2+][C@H]1CCC[C@@H](N2CCCC2=O)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000518565897 504017970 /nfs/dbraw/zinc/01/79/70/504017970.db2.gz RIJCPYSQXYYHTC-YSIASYRMSA-N 2 0 373.541 3.211 20 0 FGADRP CCC[NH+]1CCC(NC(=O)NC[C@@H](c2ccc(Cl)cc2)[NH+](C)C)CC1 ZINC000530600939 504022830 /nfs/dbraw/zinc/02/28/30/504022830.db2.gz VRVVFMPDJDILMX-SFHVURJKSA-N 2 0 366.937 3.116 20 0 FGADRP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000518598013 504024974 /nfs/dbraw/zinc/02/49/74/504024974.db2.gz ZPMMMXIXWBOOKV-ZVDOUQERSA-N 2 0 357.542 3.278 20 0 FGADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2cccc(Br)c2)C1 ZINC000530627331 504032367 /nfs/dbraw/zinc/03/23/67/504032367.db2.gz SPOKGOJYXUBEKS-QGZVFWFLSA-N 2 0 355.320 3.382 20 0 FGADRP Cc1nc(CC[NH2+]Cc2c(Cl)cccc2N2CC[NH+](C)CC2)c(C)o1 ZINC000537772807 504035727 /nfs/dbraw/zinc/03/57/27/504035727.db2.gz XAJRTROGHJMNKB-UHFFFAOYSA-N 2 0 362.905 3.029 20 0 FGADRP CC(C)(C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C(=O)N1CCCC1 ZINC000528017988 504041625 /nfs/dbraw/zinc/04/16/25/504041625.db2.gz ZHDYIPQSSNQWHK-MZADTFQBSA-N 2 0 369.553 3.420 20 0 FGADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H](O)COc2ccccc2C(F)(F)F)C[C@@H]1C ZINC000541351285 504101606 /nfs/dbraw/zinc/10/16/06/504101606.db2.gz XWQITUZRBBFNBU-HRCADAONSA-N 2 0 374.447 3.250 20 0 FGADRP C[C@H]([NH2+]CC1(O)Cc2ccccc2C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000547503544 504128976 /nfs/dbraw/zinc/12/89/76/504128976.db2.gz UURYTKKZQXZELS-AVRDEDQJSA-N 2 0 350.506 3.017 20 0 FGADRP CC[NH+](CC)CCOC1CC[NH+]([C@H](C)c2cc(C)c(C(=O)OC)o2)CC1 ZINC000538148164 504146459 /nfs/dbraw/zinc/14/64/59/504146459.db2.gz VDJYOMDZUDVBPR-MRXNPFEDSA-N 2 0 366.502 3.258 20 0 FGADRP CC(C)[C@@H](CNC(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1)[NH+]1CCCC1 ZINC000519178076 504158174 /nfs/dbraw/zinc/15/81/74/504158174.db2.gz ZBJPBWGIZONVOO-LEWJYISDSA-N 2 0 372.557 3.071 20 0 FGADRP CC(C)[N@@H+]1CC[C@H](CNC(=O)NC[C@@H]2CCC[NH+]2CC2CCCCC2)C1 ZINC000531003661 504158683 /nfs/dbraw/zinc/15/86/83/504158683.db2.gz HDIXIPWLZVAMSI-UXHICEINSA-N 2 0 364.578 3.061 20 0 FGADRP CC[C@H](C(=O)NC[C@H](c1ccc(OC)cc1)[NH+]1CCCC1)[NH+](CC)CC ZINC000531042725 504170345 /nfs/dbraw/zinc/17/03/45/504170345.db2.gz JBSPMNZUPQJYIV-WOJBJXKFSA-N 2 0 361.530 3.069 20 0 FGADRP OCCN1CC[NH+](CCCC[NH2+][C@H](c2ccccc2)C2CCCCC2)CC1 ZINC000538289420 504190428 /nfs/dbraw/zinc/19/04/28/504190428.db2.gz AYSQPUSOBSVFSA-HSZRJFAPSA-N 2 0 373.585 3.288 20 0 FGADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1cc2c(ccc(Cl)c2Cl)[nH]1 ZINC000531119008 504195904 /nfs/dbraw/zinc/19/59/04/504195904.db2.gz SWAOILKMNWYPOA-UHFFFAOYSA-N 2 0 371.312 3.040 20 0 FGADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)CC[NH+](C)C1CCCCC1 ZINC000547737331 504205393 /nfs/dbraw/zinc/20/53/93/504205393.db2.gz KVWXMXHCQHWVRT-GHTZIAJQSA-N 2 0 357.542 3.278 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N[C@@H](C)C[C@H](C)[NH3+])c1ccccc1Cl ZINC000519396128 504211266 /nfs/dbraw/zinc/21/12/66/504211266.db2.gz ZNAPSWZWYYENDH-GRDNDAEWSA-N 2 0 354.926 3.148 20 0 FGADRP C[C@H](CC[NH+](C)C)NC(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000519449481 504223954 /nfs/dbraw/zinc/22/39/54/504223954.db2.gz BNRDQANCHDLYJZ-GOSISDBHSA-N 2 0 368.525 3.007 20 0 FGADRP CC[C@H]([NH2+]CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)c1ccc(C)cc1 ZINC000547787135 504225466 /nfs/dbraw/zinc/22/54/66/504225466.db2.gz HDBBUFRNYNELDC-LEWJYISDSA-N 2 0 353.510 3.455 20 0 FGADRP Cc1ccc(C[NH+]2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)c(-c2cnn(C)c2)c1 ZINC000519528676 504241133 /nfs/dbraw/zinc/24/11/33/504241133.db2.gz DNPRJLAYYSJRJA-YADHBBJMSA-N 2 0 368.525 3.114 20 0 FGADRP CC[N@H+](C)C[C@H](O)CN[C@H](Cc1ccccc1)c1nc2ccccc2s1 ZINC000519539637 504246228 /nfs/dbraw/zinc/24/62/28/504246228.db2.gz CHXRJOLDUYRIHY-IEBWSBKVSA-N 2 0 369.534 3.482 20 0 FGADRP CC[C@H](C)NC(=O)[C@H](C)[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000534963657 504294920 /nfs/dbraw/zinc/29/49/20/504294920.db2.gz HJBXEFYZXFJICY-OALUTQOASA-N 2 0 357.542 3.278 20 0 FGADRP C[C@@H]([NH2+]Cc1ccc(C[NH+](C)C)cc1)[C@H](c1ccccc1)N1CCOCC1 ZINC000535003808 504309499 /nfs/dbraw/zinc/30/94/99/504309499.db2.gz BYYAXBQTFKXRIS-AUSIDOKSSA-N 2 0 367.537 3.300 20 0 FGADRP CN1CCC([NH+]2CCC(CC[N@H+](C)Cc3cccc4c[nH]nc43)CC2)CC1 ZINC000538724900 504344545 /nfs/dbraw/zinc/34/45/45/504344545.db2.gz IBYUAWASGRJSRR-UHFFFAOYSA-N 2 0 369.557 3.191 20 0 FGADRP C[C@H]([NH2+]C[C@@H](CO)Cc1ccc(F)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000548155492 504351217 /nfs/dbraw/zinc/35/12/17/504351217.db2.gz UIRZATKMBFWYBH-NYVOZVTQSA-N 2 0 370.512 3.477 20 0 FGADRP CC(C)[C@@H](C(=O)N(C)CC[N@H+](C)C1CCN(C)CC1)c1ccc(F)cc1 ZINC000535159902 504359276 /nfs/dbraw/zinc/35/92/76/504359276.db2.gz WGYWMVHBRIHNFP-HXUWFJFHSA-N 2 0 363.521 3.050 20 0 FGADRP CC(C)[NH+]1CCC(O)(C[NH2+]Cc2cnc(-c3ccsc3)s2)CC1 ZINC000531610312 504362324 /nfs/dbraw/zinc/36/23/24/504362324.db2.gz LIUFJXUVTVHZRJ-UHFFFAOYSA-N 2 0 351.541 3.197 20 0 FGADRP CC[NH+]1CCN(Cc2ccccc2C[NH2+][C@@H]2CC(C)(C)OC2(C)C)CC1 ZINC000531683194 504391968 /nfs/dbraw/zinc/39/19/68/504391968.db2.gz WANKWGBWJUCROO-HXUWFJFHSA-N 2 0 359.558 3.260 20 0 FGADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)N1CCC[NH+](C(C)(C)C)CC1 ZINC000545204702 504394435 /nfs/dbraw/zinc/39/44/35/504394435.db2.gz DQWCMVONBHMIGE-ICSRJNTNSA-N 2 0 372.557 3.023 20 0 FGADRP CC[NH+](CC)C[C@H](C)NC(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000520004442 504397771 /nfs/dbraw/zinc/39/77/71/504397771.db2.gz JFQCOXIDEJQBJU-SFHVURJKSA-N 2 0 360.546 3.202 20 0 FGADRP C[C@@H]([NH2+]C[C@H](C)CN1CC[NH+](C)CC1)c1sccc1Br ZINC000531705575 504398195 /nfs/dbraw/zinc/39/81/95/504398195.db2.gz URZBSMJWSPSIBQ-QWHCGFSZSA-N 2 0 360.365 3.045 20 0 FGADRP C[N@@H+]1CC[C@@H](NC(=O)c2ccc(Nc3cc[nH+]cc3)cc2)[C@H]1c1ccccc1 ZINC000535469437 504444371 /nfs/dbraw/zinc/44/43/71/504444371.db2.gz ONCBNIXGXAZGDX-FGZHOGPDSA-N 2 0 372.472 3.422 20 0 FGADRP Cc1ccc([C@H](CNC(=O)N(CC[NH+](C)C)CC(C)C)[NH+]2CCCC2)cc1 ZINC000520296818 504457911 /nfs/dbraw/zinc/45/79/11/504457911.db2.gz VFAOUMLQXALGEI-NRFANRHFSA-N 2 0 374.573 3.361 20 0 FGADRP C[C@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]CCc1ccc2c(c1)OCO2 ZINC000531943891 504481524 /nfs/dbraw/zinc/48/15/24/504481524.db2.gz VZTKRYXDGIPELD-FXAWDEMLSA-N 2 0 352.478 3.458 20 0 FGADRP C[NH+]1CCC(C)(CNC(=O)[C@H]2CCCN2Cc2ccc(Cl)cc2)CC1 ZINC000528990722 504485054 /nfs/dbraw/zinc/48/50/54/504485054.db2.gz FIYCEUBMTPKDSB-GOSISDBHSA-N 2 0 363.933 3.153 20 0 FGADRP C[C@H]1C[C@H]([NH2+]CCNc2ncc(C(F)(F)F)cc2Cl)CC[N@@H+]1C ZINC000531977618 504493562 /nfs/dbraw/zinc/49/35/62/504493562.db2.gz FSHBUOPPMXWDEA-CMPLNLGQSA-N 2 0 350.816 3.238 20 0 FGADRP CC[C@H]([NH2+]CC[C@@H]1CCC[N@@H+]1C)c1ccccc1OCC(=O)N1CCCC1 ZINC000539250611 504512761 /nfs/dbraw/zinc/51/27/61/504512761.db2.gz AMBOLZJQYOLYOX-ICSRJNTNSA-N 2 0 373.541 3.213 20 0 FGADRP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1)c1cn2ccccc2n1 ZINC000548710948 504537224 /nfs/dbraw/zinc/53/72/24/504537224.db2.gz DKERGWSQDZVHJV-QGZVFWFLSA-N 2 0 364.493 3.142 20 0 FGADRP CC(C)N1CC[C@H](NC(=O)[C@@]2(C)CC[NH2+]C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000520806290 504586688 /nfs/dbraw/zinc/58/66/88/504586688.db2.gz NFAKUTALODYROM-LNLFQRSKSA-N 2 0 367.896 3.119 20 0 FGADRP CCCCO[C@H]1C[C@H]([NH2+]Cc2ccc(N3CC[NH+](CC)CC3)nc2)C1(C)C ZINC000539498483 504591509 /nfs/dbraw/zinc/59/15/09/504591509.db2.gz JDFTXVFPDOCRBZ-PMACEKPBSA-N 2 0 374.573 3.297 20 0 FGADRP CN(CCC(=O)N1CCC(CCC[NH+]2CCCC2)CC1)c1cc[nH+]cc1 ZINC000542786204 504610271 /nfs/dbraw/zinc/61/02/71/504610271.db2.gz KHKBPPRGNZJFRB-UHFFFAOYSA-N 2 0 358.530 3.023 20 0 FGADRP Cc1ccc([C@H](CNC(=O)CCN(C)c2cc[nH+]cc2)[NH+]2CCCC2)cc1 ZINC000542787214 504610649 /nfs/dbraw/zinc/61/06/49/504610649.db2.gz LESCHLWAINVWDJ-NRFANRHFSA-N 2 0 366.509 3.170 20 0 FGADRP CN1CCC([NH+]2CCC(NC(=O)Nc3ccc4occc4c3)CC2)CC1 ZINC000529278598 504616610 /nfs/dbraw/zinc/61/66/10/504616610.db2.gz NISRCXBDJFNSMK-UHFFFAOYSA-N 2 0 356.470 3.113 20 0 FGADRP C[N@@H+]1CC[C@@H](C(=O)N2CC(C)(C)[C@H]2C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000520971092 504618882 /nfs/dbraw/zinc/61/88/82/504618882.db2.gz BUBCMRQHAKEZII-NHCUHLMSSA-N 2 0 369.553 3.087 20 0 FGADRP CCO[C@@H]1C[C@H]([NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H]2CO)C12CCCC2 ZINC000542849806 504633277 /nfs/dbraw/zinc/63/32/77/504633277.db2.gz SFHCEMNKNSZSEF-FDFHNCONSA-N 2 0 372.553 3.471 20 0 FGADRP CCC1(CC)[C@H]([NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H]2CO)C[C@@H]1OC ZINC000542847860 504633849 /nfs/dbraw/zinc/63/38/49/504633849.db2.gz YCUJYJMDDMGNLH-NJYVYQBISA-N 2 0 360.542 3.327 20 0 FGADRP COc1ccc(Cl)cc1[C@H](C)[NH2+][C@@H](CC(C)C)C(=O)NCC[NH+](C)C ZINC000539645899 504638368 /nfs/dbraw/zinc/63/83/68/504638368.db2.gz VXTCVLRIOROGBW-YOEHRIQHSA-N 2 0 369.937 3.092 20 0 FGADRP CC(C)[N@H+](C)CCNC(=O)NCc1ccccc1C[NH+]1CCC(C)CC1 ZINC000548989433 504646749 /nfs/dbraw/zinc/64/67/49/504646749.db2.gz FEEUXIAQGBSVOE-UHFFFAOYSA-N 2 0 360.546 3.058 20 0 FGADRP CC[NH+](CC)CC1CC[NH+](CC(=O)NC(=O)Nc2ccc(C)c(C)c2)CC1 ZINC000532477547 504663820 /nfs/dbraw/zinc/66/38/20/504663820.db2.gz HWWHHILZEXDOSQ-UHFFFAOYSA-N 2 0 374.529 3.005 20 0 FGADRP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)c1sccc1Br ZINC000532505488 504673969 /nfs/dbraw/zinc/67/39/69/504673969.db2.gz DKIJRVVVFHDJAL-QWHCGFSZSA-N 2 0 361.349 3.398 20 0 FGADRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCNc1ncc(C(F)(F)F)cc1Cl ZINC000532521763 504681379 /nfs/dbraw/zinc/68/13/79/504681379.db2.gz MMHWKWGIEKEXSS-GWCFXTLKSA-N 2 0 350.816 3.096 20 0 FGADRP CCC[NH+]1CCC(NC(=O)N2CC[N@H+](Cc3ccccc3)[C@H](CC)C2)CC1 ZINC000546054190 504691203 /nfs/dbraw/zinc/69/12/03/504691203.db2.gz CRONFWMLTIFDFR-OAQYLSRUSA-N 2 0 372.557 3.167 20 0 FGADRP C[C@@H]1[C@H]([NH2+]Cc2ccc(C(=O)NCC[NH+](C)C)cc2)C[C@H]1c1ccccc1 ZINC000543097620 504724052 /nfs/dbraw/zinc/72/40/52/504724052.db2.gz RRDWDSMADHDEPN-MTNREXPMSA-N 2 0 365.521 3.260 20 0 FGADRP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]CC2(CCO)CCCC2)CC1 ZINC000536413528 504726818 /nfs/dbraw/zinc/72/68/18/504726818.db2.gz VKSXVJXAVIOMFD-UHFFFAOYSA-N 2 0 365.949 3.124 20 0 FGADRP C[N@@H+]1CCC[C@H](CNC(=O)Nc2ccc(OCC[NH+]3CCCCC3)cc2)C1 ZINC000532660849 504729489 /nfs/dbraw/zinc/72/94/89/504729489.db2.gz LWVYXVSJFJSPBJ-GOSISDBHSA-N 2 0 374.529 3.015 20 0 FGADRP C[NH+](C)[C@H]1CC[C@H]2[C@@H](C1)OCCN2CC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000539894562 504732850 /nfs/dbraw/zinc/73/28/50/504732850.db2.gz AMZVEWGYCBOSAZ-FDFHNCONSA-N 2 0 373.585 3.328 20 0 FGADRP C[C@@H](CNC(=O)N1CCC[N@H+](Cc2ccccc2)CC1)[NH+]1CCC(C)CC1 ZINC000521509780 504749826 /nfs/dbraw/zinc/74/98/26/504749826.db2.gz ZZWGXIPUNYDZFO-FQEVSTJZSA-N 2 0 372.557 3.024 20 0 FGADRP CC(C)[NH+]1CCN(c2cccc(NC(=O)C[C@@H](C)[C@H]3CCC[NH2+]C3)c2)CC1 ZINC000521620166 504765020 /nfs/dbraw/zinc/76/50/20/504765020.db2.gz JNROYVTZDLPIQK-MOPGFXCFSA-N 2 0 372.557 3.181 20 0 FGADRP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]C[C@@H](O)Cc1ccc(F)cc1 ZINC000559151792 504792679 /nfs/dbraw/zinc/79/26/79/504792679.db2.gz QIDRLXAEJSXGDC-HMFYCAOWSA-N 2 0 370.512 3.475 20 0 FGADRP Cn1ccnc1[C@H]1CC[N@H+](C[C@@H](O)Cn2c3ccccc3c3ccccc32)C1 ZINC000565154339 504809546 /nfs/dbraw/zinc/80/95/46/504809546.db2.gz APYMPMZREHIDQE-ZWKOTPCHSA-N 2 0 374.488 3.378 20 0 FGADRP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C[C@@H](c1ncc[nH]1)c1ccccc1 ZINC000553042355 504811884 /nfs/dbraw/zinc/81/18/84/504811884.db2.gz ZLVGOESKSAQTFV-ZHALLVOQSA-N 2 0 354.498 3.168 20 0 FGADRP CC[C@H](C(=O)N1CCC(C[NH+]2CCCC2)CC1)[N@H+](C)Cc1ccccc1 ZINC000559278851 504818207 /nfs/dbraw/zinc/81/82/07/504818207.db2.gz RPYJJGSTKFSACQ-OAQYLSRUSA-N 2 0 357.542 3.231 20 0 FGADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]C2CCN(Cc3cccc(Br)c3)CC2)C1 ZINC000565227213 504830719 /nfs/dbraw/zinc/83/07/19/504830719.db2.gz WIUCXXUPBOKLBI-SJLPKXTDSA-N 2 0 366.347 3.273 20 0 FGADRP CC[C@H](C(=O)N1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1)[N@H+](C)Cc1ccccc1 ZINC000559337342 504839439 /nfs/dbraw/zinc/83/94/39/504839439.db2.gz UCHXLMJCQHVXHR-NNWRFLSQSA-N 2 0 369.553 3.372 20 0 FGADRP C[C@H](C(=O)N1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000553172691 504844511 /nfs/dbraw/zinc/84/45/11/504844511.db2.gz YYEVDEBPDCDMAC-AWWSKVOZSA-N 2 0 369.553 3.372 20 0 FGADRP CC[NH+](CC)CCN(Cc1ccccc1)C(=O)c1ccc2c[nH+]cn2c1 ZINC000559513127 504878958 /nfs/dbraw/zinc/87/89/58/504878958.db2.gz XIHODNIMJBGQOQ-UHFFFAOYSA-N 2 0 350.466 3.319 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000553328961 504885653 /nfs/dbraw/zinc/88/56/53/504885653.db2.gz PFYDYGBOSIQVPJ-RZUBCFFCSA-N 2 0 371.569 3.383 20 0 FGADRP CC[NH+](CC)Cc1ccc(CNC(=O)N2C[C@H]([NH+]3CCCC3)C[C@@H]2C)cc1 ZINC000553377252 504897900 /nfs/dbraw/zinc/89/79/00/504897900.db2.gz ZRQOXLFZRNHEIC-GHTZIAJQSA-N 2 0 372.557 3.297 20 0 FGADRP C[N@@H+]1CCC[C@]2(CC[NH+](C[C@H](O)Cc3ccccc3C(F)(F)F)C2)C1 ZINC000549841644 504913732 /nfs/dbraw/zinc/91/37/32/504913732.db2.gz XQWZHKDKCZVBPW-AEFFLSMTSA-N 2 0 356.432 3.027 20 0 FGADRP C[NH+]1CCC2(CCCN2Cc2cccc(I)c2)CC1 ZINC000556598094 504914798 /nfs/dbraw/zinc/91/47/98/504914798.db2.gz GHPWSDBHSZRZSN-UHFFFAOYSA-N 2 0 370.278 3.351 20 0 FGADRP C[N@H+](Cc1ccccc1NC(=O)NCC1=CC[NH2+]CC1)C1CCCCC1 ZINC000562746498 504930795 /nfs/dbraw/zinc/93/07/95/504930795.db2.gz BZPZGAZXIIQUCQ-UHFFFAOYSA-N 2 0 356.514 3.492 20 0 FGADRP C[NH+](C)CCCCC(=O)NC[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000556663032 504932641 /nfs/dbraw/zinc/93/26/41/504932641.db2.gz ZUERJTSNMFHTPD-BEFAXECRSA-N 2 0 369.912 3.320 20 0 FGADRP CC[C@H](C(=O)NC[C@@H](c1ccccc1)[NH+](C)C)[N@H+](C)Cc1ccccc1 ZINC000550128073 504972275 /nfs/dbraw/zinc/97/22/75/504972275.db2.gz XOPOBDJOHCHGRV-RTWAWAEBSA-N 2 0 353.510 3.316 20 0 FGADRP COC(=O)CCC[C@H]1CCC[C@@H]([NH2+]CC2(SC)CC[NH+](C)CC2)C1 ZINC000550218610 504994541 /nfs/dbraw/zinc/99/45/41/504994541.db2.gz SRBAGCSAGKOMOB-IAGOWNOFSA-N 2 0 356.576 3.306 20 0 FGADRP CC[C@H]([NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1)c1cccc(C)c1 ZINC000556869459 505000885 /nfs/dbraw/zinc/00/08/85/505000885.db2.gz JLDVEGRGSXANJF-NRFANRHFSA-N 2 0 367.541 3.428 20 0 FGADRP CNC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000556884436 505005416 /nfs/dbraw/zinc/00/54/16/505005416.db2.gz KFYCWHBPVPDWLN-CSEOROSGSA-N 2 0 369.553 3.182 20 0 FGADRP c1ccc(C[N@H+]2C[C@@H](C[NH2+][C@@H]3CCCSC3)C3(C2)CCOCC3)cc1 ZINC000550262682 505005993 /nfs/dbraw/zinc/00/59/93/505005993.db2.gz NQMBSIPRCUWJKY-WOJBJXKFSA-N 2 0 360.567 3.400 20 0 FGADRP Cc1ncc(C[NH2+][C@@H]2CCCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c(=O)[nH]1 ZINC000556889943 505007958 /nfs/dbraw/zinc/00/79/58/505007958.db2.gz LOUUBCOHCNYIDH-CEWLAPEOSA-N 2 0 366.509 3.271 20 0 FGADRP CC[N@H+](CCC1CCN(C(=O)c2ccc3c[nH+]cn3c2)CC1)CC1CC1 ZINC000550392851 505033132 /nfs/dbraw/zinc/03/31/32/505033132.db2.gz MOFPJYXAFNKGOL-UHFFFAOYSA-N 2 0 354.498 3.309 20 0 FGADRP C[NH+](C)Cc1c2ccccc2oc1C(=O)N1CCC([C@H]2[NH2+]CC2(C)C)CC1 ZINC000563112110 505050761 /nfs/dbraw/zinc/05/07/61/505050761.db2.gz CJSYOVOBLKQURO-HXUWFJFHSA-N 2 0 369.509 3.345 20 0 FGADRP C[NH+]1CCC([C@H]2CC[N@H+](Cc3cc(Cl)c4c(c3)OCCO4)C2)CC1 ZINC000550573184 505066359 /nfs/dbraw/zinc/06/63/59/505066359.db2.gz NGZMVYQYQGAXFH-INIZCTEOSA-N 2 0 350.890 3.275 20 0 FGADRP [NH3+]CCC1CCN(C(=O)NC[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000566073205 505072191 /nfs/dbraw/zinc/07/21/91/505072191.db2.gz JRCXNSBDTBWASN-NRFANRHFSA-N 2 0 372.557 3.059 20 0 FGADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1cc(F)c2ccccc2c1 ZINC000550678635 505084013 /nfs/dbraw/zinc/08/40/13/505084013.db2.gz LZMCJCZCKDWNSQ-UHFFFAOYSA-N 2 0 359.489 3.325 20 0 FGADRP CC(=O)c1cccc(OC[C@H](O)C[NH2+]C2CC[NH+](C3CCCCC3)CC2)c1 ZINC000566111956 505085324 /nfs/dbraw/zinc/08/53/24/505085324.db2.gz IUMMKPQVMUARPV-OAQYLSRUSA-N 2 0 374.525 3.016 20 0 FGADRP C[NH+](C)[C@@H](CNC(=O)C(C)(C)[C@@H]([NH3+])c1ccccc1)Cc1ccccc1 ZINC000566147331 505097019 /nfs/dbraw/zinc/09/70/19/505097019.db2.gz PGSGRDQDSPNPIW-UXHICEINSA-N 2 0 353.510 3.002 20 0 FGADRP Cc1ccc(NC(=O)NC[C@H]2CCC[N@H+](CC[C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000557336653 505110015 /nfs/dbraw/zinc/11/00/15/505110015.db2.gz TYQJUSSDMXRGGT-RBUKOAKNSA-N 2 0 358.530 3.218 20 0 FGADRP C[C@@H]([NH2+][C@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21)c1cc[nH]c(=O)c1 ZINC000550860294 505115680 /nfs/dbraw/zinc/11/56/80/505115680.db2.gz ITAJUWAORVVUFO-QAPCUYQASA-N 2 0 353.466 3.426 20 0 FGADRP O[C@]1(C[NH2+][C@@H]2CCCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CCSC1 ZINC000560528775 505116574 /nfs/dbraw/zinc/11/65/74/505116574.db2.gz KRZVHVRTFMGRMF-BQJUDKOJSA-N 2 0 360.567 3.135 20 0 FGADRP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1ccc(Br)c(Br)c1 ZINC000566230190 505118820 /nfs/dbraw/zinc/11/88/20/505118820.db2.gz PSETYADXVLSGDC-IUCAKERBSA-N 2 0 350.098 3.427 20 0 FGADRP c1c(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c(-c2ccncc2)nn1-c1ccccc1 ZINC000566230293 505118997 /nfs/dbraw/zinc/11/89/97/505118997.db2.gz ZVLTYGSFJQICOT-BGYRXZFFSA-N 2 0 373.504 3.366 20 0 FGADRP C[C@H](NC(=O)[C@H](C)[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)c1ccc(Cl)cc1 ZINC000566245802 505122616 /nfs/dbraw/zinc/12/26/16/505122616.db2.gz SYWHPNPFUXIMCW-UOVPBQLFSA-N 2 0 363.933 3.227 20 0 FGADRP Cc1ccccc1[C@@H]([C@H](C)NC(=O)NCC1([NH+](C)C)CCCC1)[NH+](C)C ZINC000554255262 505126863 /nfs/dbraw/zinc/12/68/63/505126863.db2.gz RBDXTFXTVIMHHL-PKOBYXMFSA-N 2 0 360.546 3.160 20 0 FGADRP O=C(Nc1ccc(CC[NH+]2CCCCC2)cc1)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000563452733 505144625 /nfs/dbraw/zinc/14/46/25/505144625.db2.gz CGGLZMDMPCWXAH-SVFBPWRDSA-N 2 0 370.541 3.225 20 0 FGADRP Cc1ccc(C[NH2+]CC2CC[NH+](CC(=O)NC(C)(C)C)CC2)c(Cl)c1 ZINC000566336033 505147493 /nfs/dbraw/zinc/14/74/93/505147493.db2.gz OKGJZSSTUKKHDI-UHFFFAOYSA-N 2 0 365.949 3.365 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)NC2(C)CC[NH2+]CC2)C1 ZINC000563545550 505172580 /nfs/dbraw/zinc/17/25/80/505172580.db2.gz BDKKGZJJWDLXOM-HDICACEKSA-N 2 0 372.557 3.106 20 0 FGADRP Cc1ccc2c(c1)[C@@H]([NH2+]C[C@@H](O)CN1CCc3ccccc3C1)CCC2 ZINC000551275783 505190792 /nfs/dbraw/zinc/19/07/92/505190792.db2.gz WZSRZRDKTMNOFQ-GGAORHGYSA-N 2 0 350.506 3.381 20 0 FGADRP C[C@@H](C(=O)N(C)CCC[NH+](C)Cc1ccco1)[N@@H+]1CCc2ccccc2C1 ZINC000557770423 505226277 /nfs/dbraw/zinc/22/62/77/505226277.db2.gz LYCITLAYFXTAQO-SFHVURJKSA-N 2 0 369.509 3.007 20 0 FGADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)N2C[C@@H]([NH+]3CCCC3)C[C@H]2C)C1 ZINC000557812178 505236089 /nfs/dbraw/zinc/23/60/89/505236089.db2.gz NEWZPNJSDXZUNU-QCFAMHMHSA-N 2 0 370.541 3.090 20 0 FGADRP CCN1CC[NH+](CCCC[NH2+][C@H]2C[C@H](Oc3ccccc3)C2(C)C)CC1 ZINC000551537089 505246726 /nfs/dbraw/zinc/24/67/26/505246726.db2.gz LSCRRJNZWUJQJL-SFTDATJTSA-N 2 0 359.558 3.240 20 0 FGADRP CC[NH+](CC)[C@H](C(=O)NC[C@H](C)C[NH+](C)C)c1cccc(C(F)(F)F)c1 ZINC000561096599 505250094 /nfs/dbraw/zinc/25/00/94/505250094.db2.gz ZWJJZJHSSOCDOP-YOEHRIQHSA-N 2 0 373.463 3.402 20 0 FGADRP C[C@@H](NC(=O)NC[C@H](c1ccccc1)[NH+]1CCC(C)CC1)[C@@H]1CCC[NH2+]C1 ZINC000563874863 505264354 /nfs/dbraw/zinc/26/43/54/505264354.db2.gz QFGWPPVFZDCDLV-HMXCVIKNSA-N 2 0 372.557 3.147 20 0 FGADRP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1cn(Cc2ccccc2)nc1-c1cccnc1 ZINC000563944406 505284535 /nfs/dbraw/zinc/28/45/35/505284535.db2.gz HUPGOOXIRHVPIG-UTKZUKDTSA-N 2 0 361.493 3.081 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1nc2ccc(F)cc2s1 ZINC000554882173 505288894 /nfs/dbraw/zinc/28/88/94/505288894.db2.gz HPFOGKMJTSDKMM-MRXNPFEDSA-N 2 0 364.534 3.283 20 0 FGADRP C[C@@H](C(=O)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1)[NH+]1CCCCCC1 ZINC000561282979 505304747 /nfs/dbraw/zinc/30/47/47/505304747.db2.gz LFDPLERPCYMFDW-NZQKXSOJSA-N 2 0 369.553 3.376 20 0 FGADRP O[C@H](C[NH2+]CC1CC[NH+](Cc2cccs2)CC1)Cc1ccc(F)cc1 ZINC000564078944 505320269 /nfs/dbraw/zinc/32/02/69/505320269.db2.gz XXBMPEJDNABIPN-IBGZPJMESA-N 2 0 362.514 3.292 20 0 FGADRP Cc1nc2ccccc2n1CCC(=O)Nc1ccc(Cn2ccnc2)cn1 ZINC000561378723 505330277 /nfs/dbraw/zinc/33/02/77/505330277.db2.gz ALLMAVQDIWOLDH-UHFFFAOYSA-N 2 0 360.421 3.013 20 0 FGADRP CC(C)[N@H+](C)CC1CC[NH+]([C@@H](C)C(=O)N[C@@H]2CCOc3ccccc32)CC1 ZINC000551908373 505339908 /nfs/dbraw/zinc/33/99/08/505339908.db2.gz HRVNOMQRYAZZLJ-FXAWDEMLSA-N 2 0 373.541 3.067 20 0 FGADRP CC[NH+](CC)CCN(Cc1ccccc1)C(=O)NCC1CC[NH+](CC)CC1 ZINC000561486365 505358921 /nfs/dbraw/zinc/35/89/21/505358921.db2.gz JYZFPRWAJQPVAC-UHFFFAOYSA-N 2 0 374.573 3.272 20 0 FGADRP CCCC[N@H+](C)C[C@H](C)NC(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000555172361 505370095 /nfs/dbraw/zinc/37/00/95/505370095.db2.gz MQVVPTTZBKMVRQ-SFHVURJKSA-N 2 0 360.546 3.202 20 0 FGADRP Cc1ccccc1OC[C@H](O)C[NH2+]CC1CC[NH+](Cc2cccs2)CC1 ZINC000564321644 505384129 /nfs/dbraw/zinc/38/41/29/505384129.db2.gz OKDBSKPHCVEQOO-LJQANCHMSA-N 2 0 374.550 3.298 20 0 FGADRP C[NH+](C)C1CCC([NH2+]Cc2cc(Br)cc3c2OCC3)CC1 ZINC000552068219 505389022 /nfs/dbraw/zinc/38/90/22/505389022.db2.gz NZZXODREGBSPLZ-UHFFFAOYSA-N 2 0 353.304 3.346 20 0 FGADRP C[C@]12CCC[N@@H+]1C[C@H](c1noc(-c3cccc(C[NH+]4CCCC4)c3)n1)OC2 ZINC000567199943 505392604 /nfs/dbraw/zinc/39/26/04/505392604.db2.gz IXYNIRXFCYDXOT-WIYYLYMNSA-N 2 0 368.481 3.258 20 0 FGADRP O=S(=O)(CC[NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1)c1ccccc1 ZINC000555336845 505410645 /nfs/dbraw/zinc/41/06/45/505410645.db2.gz IQYDFRLSLVPAHV-UHFFFAOYSA-N 2 0 372.534 3.236 20 0 FGADRP C[NH+](C)C1CCC([NH2+]Cc2cc3c(c(Br)c2)OCO3)CC1 ZINC000552252512 505441293 /nfs/dbraw/zinc/44/12/93/505441293.db2.gz PRFNJCTTXVHBGK-UHFFFAOYSA-N 2 0 355.276 3.140 20 0 FGADRP Cc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)c(-n2cc(Cl)cn2)n1 ZINC000552284326 505450255 /nfs/dbraw/zinc/45/02/55/505450255.db2.gz WOJITBJWLKKGRR-RCCFBDPRSA-N 2 0 359.905 3.192 20 0 FGADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]Cc1ccc(-c2ccc3c(c2)CCO3)cc1 ZINC000564560217 505453776 /nfs/dbraw/zinc/45/37/76/505453776.db2.gz USZUDVIAKPMCMY-RVHYNSKXSA-N 2 0 352.478 3.130 20 0 FGADRP Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)[C@H](C[NH3+])c1ccccc1 ZINC000567505446 505482628 /nfs/dbraw/zinc/48/26/28/505482628.db2.gz ZOKJQZQHADQPJZ-LJQANCHMSA-N 2 0 369.534 3.225 20 0 FGADRP C[NH+](C)Cc1ccccc1CNC(=O)c1ccccc1CC1CC[NH2+]CC1 ZINC000564730048 505504564 /nfs/dbraw/zinc/50/45/64/505504564.db2.gz JMYUEMJJIYECRD-UHFFFAOYSA-N 2 0 365.521 3.220 20 0 FGADRP COC(=O)c1cc(C[NH2+]C[C@H]2CCCC[N@H+](Cc3ccccc3)C2)c[nH]1 ZINC000562083488 505513608 /nfs/dbraw/zinc/51/36/08/505513608.db2.gz XDYXLJAXIOXCOI-GOSISDBHSA-N 2 0 355.482 3.193 20 0 FGADRP COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000567652903 505525096 /nfs/dbraw/zinc/52/50/96/505525096.db2.gz LRUTXQBRDLWWEZ-KNCOVGOOSA-N 2 0 365.905 3.043 20 0 FGADRP CC[NH+]1CCC(C[NH2+][C@@H](C)c2ccc(OCc3nccn3C)cc2)CC1 ZINC000564816981 505529004 /nfs/dbraw/zinc/52/90/04/505529004.db2.gz YOCKKDAHIBBVNA-KRWDZBQOSA-N 2 0 356.514 3.382 20 0 FGADRP c1oc(-c2ccccc2)nc1CN1CCC([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000564822539 505529345 /nfs/dbraw/zinc/52/93/45/505529345.db2.gz DOEJJRLYZIGVTH-YOFSQIOKSA-N 2 0 366.509 3.179 20 0 FGADRP Cc1cc2ncn(C[C@@H](O)C[NH2+]CCCC[N@H+]3CCC[C@H](C)C3)c2cc1C ZINC000567678578 505532843 /nfs/dbraw/zinc/53/28/43/505532843.db2.gz WOJSZYSZXZHJQO-PXNSSMCTSA-N 2 0 372.557 3.116 20 0 FGADRP C[C@H]([NH3+])C1CCN(C(=O)NCC[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC000567715189 505546693 /nfs/dbraw/zinc/54/66/93/505546693.db2.gz SOJSINBPCKIKBK-CMKODMSKSA-N 2 0 372.557 3.056 20 0 FGADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)CC[C@H]([NH3+])c2ccccc2)C1 ZINC000567772995 505561696 /nfs/dbraw/zinc/56/16/96/505561696.db2.gz RGBWUYZUKGVVQT-QMMLZNLJSA-N 2 0 351.494 3.418 20 0 FGADRP C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000567817475 505565838 /nfs/dbraw/zinc/56/58/38/505565838.db2.gz SKCSHRKZTFGFRS-YADHBBJMSA-N 2 0 363.505 3.000 20 0 FGADRP CC(C)[NH+]1CCN(c2cccc(NC(=O)[C@@H]3C[C@H]4CCCC[C@@H]4[NH2+]3)c2)CC1 ZINC000564992843 505566335 /nfs/dbraw/zinc/56/63/35/505566335.db2.gz KQIOTCSNCCDKCB-QMMLZNLJSA-N 2 0 370.541 3.076 20 0 FGADRP C[C@H](C1CC1)N(Cc1ccccc1)C(=O)C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000567889417 505570064 /nfs/dbraw/zinc/57/00/64/505570064.db2.gz WLOBVYCVQCIWLW-XMSQKQJNSA-N 2 0 369.553 3.135 20 0 FGADRP Fc1ccc([C@H]2OCC[C@@H]2[NH2+]Cc2cc(C3CC[NH2+]CC3)no2)cc1F ZINC000582959142 506510824 /nfs/dbraw/zinc/51/08/24/506510824.db2.gz SRGGALBNCNKXRR-PKOBYXMFSA-N 2 0 363.408 3.040 20 0 FGADRP C[C@@H](C(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)[NH+]1CCCCCC1 ZINC000608357725 506523230 /nfs/dbraw/zinc/52/32/30/506523230.db2.gz GELDYTBPCUQUDF-FPOVZHCZSA-N 2 0 357.542 3.279 20 0 FGADRP CCC(CC)[C@@H](CNC(=O)N1CCC[C@H]([NH+]2CCCC2)C1)[NH+]1CCCC1 ZINC000612339169 506534220 /nfs/dbraw/zinc/53/42/20/506534220.db2.gz TZDFEGYYUJMGQA-VQTJNVASSA-N 2 0 364.578 3.157 20 0 FGADRP C(CC[N@@H+]1CCOC[C@@H](C2CCC2)C1)C[NH+]1CCOC[C@H](C2CCC2)C1 ZINC000583060960 506566407 /nfs/dbraw/zinc/56/64/07/506566407.db2.gz GKMXZQJBLLLROP-SZPZYZBQSA-N 2 0 364.574 3.264 20 0 FGADRP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)NCc1ccccc1C[NH+]1CCC[C@H](C)C1 ZINC000583136783 506609635 /nfs/dbraw/zinc/60/96/35/506609635.db2.gz RFIYUJUZBVJXBR-RBUKOAKNSA-N 2 0 374.573 3.446 20 0 FGADRP C[C@H]1C[NH+](Cc2ccc(C[NH2+]Cc3[nH]nc4ccccc43)cc2)C[C@H](C)O1 ZINC000589639256 506614531 /nfs/dbraw/zinc/61/45/31/506614531.db2.gz ZDKNPDNIYQZUBE-IRXDYDNUSA-N 2 0 364.493 3.462 20 0 FGADRP Cc1ccccc1C[N@H+]1CCCN(C(=O)N[C@@H](C)C[NH+]2CCCCC2)CC1 ZINC000612593425 506642136 /nfs/dbraw/zinc/64/21/36/506642136.db2.gz HUXBPXSKSUECDY-FQEVSTJZSA-N 2 0 372.557 3.087 20 0 FGADRP CC[C@H](C)[N@H+](C)CCNC(=O)[C@@H](C)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000600092935 506773194 /nfs/dbraw/zinc/77/31/94/506773194.db2.gz SGXDGJYPJCYSOD-RBUKOAKNSA-N 2 0 359.558 3.176 20 0 FGADRP CCc1nc2cc(CNC(=O)N3CCC(CC[NH3+])CC3)ccc2n1C1CC1 ZINC000583446045 506783089 /nfs/dbraw/zinc/78/30/89/506783089.db2.gz MCRUUASLRFGGMI-UHFFFAOYSA-N 2 0 369.513 3.204 20 0 FGADRP COc1ccc(C(C)C)cc1C[N@@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000593959290 506850327 /nfs/dbraw/zinc/85/03/27/506850327.db2.gz KTIOBJUZIJJNMB-OAQYLSRUSA-N 2 0 359.558 3.419 20 0 FGADRP O=C([C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000593963851 506854260 /nfs/dbraw/zinc/85/42/60/506854260.db2.gz FCAWMEJRTLRMDG-CTNGQTDRSA-N 2 0 373.516 3.125 20 0 FGADRP CC[NH+](CC)CCCNC(=O)C1CC[NH+](C[C@@H]2CCCC[C@H]2C)CC1 ZINC000583661293 506899864 /nfs/dbraw/zinc/89/98/64/506899864.db2.gz JDRYCBCFLBYOPS-QUCCMNQESA-N 2 0 351.579 3.373 20 0 FGADRP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)[C@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000613128598 506930627 /nfs/dbraw/zinc/93/06/27/506930627.db2.gz HNLXALGLGTXDAE-UGKGYDQZSA-N 2 0 371.569 3.130 20 0 FGADRP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000613130045 506931521 /nfs/dbraw/zinc/93/15/21/506931521.db2.gz YVIWKPKDDQUGJH-GHTZIAJQSA-N 2 0 357.542 3.055 20 0 FGADRP O=C(C[N@@H+]1CCC[C@@H]1C1CC1)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000590788224 506958776 /nfs/dbraw/zinc/95/87/76/506958776.db2.gz WMNPEHCASXWEMW-LJQANCHMSA-N 2 0 359.539 3.048 20 0 FGADRP COC(=O)c1cccc(-c2nc(C[N@H+]3CC[C@H]4C[NH2+]C[C@H]4CC3)cs2)c1 ZINC000583872671 507023001 /nfs/dbraw/zinc/02/30/01/507023001.db2.gz XXQVDFWPVMEMSR-CALCHBBNSA-N 2 0 371.506 3.028 20 0 FGADRP Cn1cncc1CCC[N@@H+]1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000583880139 507028742 /nfs/dbraw/zinc/02/87/42/507028742.db2.gz OJSFASYJLQCDKN-INIZCTEOSA-N 2 0 369.444 3.421 20 0 FGADRP O=C1CC[C@@H]([NH2+]CC2CCC(c3ccccc3)CC2)[C@H](C2CC[NH2+]CC2)N1 ZINC000583919410 507050705 /nfs/dbraw/zinc/05/07/05/507050705.db2.gz PXOZYIOUKYOAJH-JAUAWXEUSA-N 2 0 369.553 3.197 20 0 FGADRP C[C@@H](CNC(=O)NCCCC[N@@H+]1CCCC[C@@H]1C)[NH+](C)Cc1ccccc1 ZINC000600854955 507148916 /nfs/dbraw/zinc/14/89/16/507148916.db2.gz YKGMGHQIECKASR-PMACEKPBSA-N 2 0 374.573 3.461 20 0 FGADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)NC[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000600859703 507149738 /nfs/dbraw/zinc/14/97/38/507149738.db2.gz MXYFRQOYDNIDMX-SFTDATJTSA-N 2 0 372.557 3.072 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)NC[C@@H]1CCCC[N@@H+]1CC)Cc1ccccc1 ZINC000600862685 507150081 /nfs/dbraw/zinc/15/00/81/507150081.db2.gz CGGWLDIKNBMYDS-SFTDATJTSA-N 2 0 374.573 3.113 20 0 FGADRP O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000605398536 507172777 /nfs/dbraw/zinc/17/27/77/507172777.db2.gz PTJYXTGHMPHPQV-JOCHJYFZSA-N 2 0 372.472 3.251 20 0 FGADRP C[C@H](C1CC1)N(C(=O)C[NH+]1CCC(C[NH+]2CCCCCC2)CC1)C1CC1 ZINC000613644808 507196920 /nfs/dbraw/zinc/19/69/20/507196920.db2.gz MWVDCFLJISNJGO-GOSISDBHSA-N 2 0 361.574 3.364 20 0 FGADRP C[C@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)N[C@@H]1CCC[C@H]1[NH+](C)C ZINC000613660073 507203528 /nfs/dbraw/zinc/20/35/28/507203528.db2.gz HGPDOLNEHNRDDH-DFQSSKMNSA-N 2 0 373.541 3.152 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)N1CCC[C@@H]1C[NH+]1CCCC1)c1ccccc1 ZINC000591543850 507284611 /nfs/dbraw/zinc/28/46/11/507284611.db2.gz PTMJCEJKFJFBNL-RTWAWAEBSA-N 2 0 372.557 3.339 20 0 FGADRP CCC(CC)[C@H](CNC(=O)N1CCC[C@@H]1C[NH+]1CCCC1)[NH+]1CCCC1 ZINC000591553461 507289895 /nfs/dbraw/zinc/28/98/95/507289895.db2.gz GJFWGAYQFRCQCH-UXHICEINSA-N 2 0 364.578 3.157 20 0 FGADRP O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)Nc1cccc2c1CC[NH2+]C2 ZINC000584339660 507289971 /nfs/dbraw/zinc/28/99/71/507289971.db2.gz LJAWJJJNTJWLQZ-OAQYLSRUSA-N 2 0 364.493 3.291 20 0 FGADRP CCOC(=O)C1([C@@H](C)[NH2+]CCc2ccc(C(F)(F)F)cc2)CC[NH2+]CC1 ZINC000591567375 507295905 /nfs/dbraw/zinc/29/59/05/507295905.db2.gz SUUDRJQZEQIAQW-CQSZACIVSA-N 2 0 372.431 3.159 20 0 FGADRP CCC[NH+](CCC)CCCNC(=O)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000591590620 507305604 /nfs/dbraw/zinc/30/56/04/507305604.db2.gz OSTYWXYNNRXLJO-IBGZPJMESA-N 2 0 352.567 3.158 20 0 FGADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N(CC[NH+](C)C)Cc1ccccc1 ZINC000605988582 507320044 /nfs/dbraw/zinc/32/00/44/507320044.db2.gz NXAAWXZTFBJGOF-HXUWFJFHSA-N 2 0 360.546 3.024 20 0 FGADRP C[C@H](CSCCF)[NH2+][C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000595009767 507352194 /nfs/dbraw/zinc/35/21/94/507352194.db2.gz DOGIACIAALZIAF-CABCVRRESA-N 2 0 357.514 3.319 20 0 FGADRP C[C@H]([NH2+]CC1CC[NH+](Cc2ccncc2)CC1)c1ccc([S@@](C)=O)cc1 ZINC000595067846 507375970 /nfs/dbraw/zinc/37/59/70/507375970.db2.gz QGIQUSSIMJWXNG-MRDQGFSESA-N 2 0 371.550 3.382 20 0 FGADRP COc1cc(C[NH2+]CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)cc(OC)c1O ZINC000584496569 507377128 /nfs/dbraw/zinc/37/71/28/507377128.db2.gz JFTVCFCSRZQWQN-IYBDPMFKSA-N 2 0 350.503 3.257 20 0 FGADRP CC[N@@H+]1CC[C@H]([NH2+]CCc2ccc(I)cc2)[C@H](C)C1 ZINC000595095624 507390095 /nfs/dbraw/zinc/39/00/95/507390095.db2.gz RTPXMXSJFHAOLX-CJNGLKHVSA-N 2 0 372.294 3.154 20 0 FGADRP CC[NH+](CC)Cc1ccccc1CNC(=O)[C@@]1(c2ccccc2)CC[NH2+]C1 ZINC000584526227 507393935 /nfs/dbraw/zinc/39/39/35/507393935.db2.gz DLSJVCJLUPJGPX-QHCPKHFHSA-N 2 0 365.521 3.076 20 0 FGADRP CCc1ccc(CN2CCN(C(=O)[C@H](C)[N@H+]3[C@H](C)CC[C@@H]3C)CC2)s1 ZINC000606535117 507436488 /nfs/dbraw/zinc/43/64/88/507436488.db2.gz BHVQQHMHTNXGOM-BBWFWOEESA-N 2 0 363.571 3.216 20 0 FGADRP CN(C)[C@H](C(=O)N1CCC[N@@H+](C2CCCC2)CC1)c1cccc(Cl)c1 ZINC000606536341 507437784 /nfs/dbraw/zinc/43/77/84/507437784.db2.gz VAAYQBNFJFUJEI-IBGZPJMESA-N 2 0 363.933 3.420 20 0 FGADRP C[NH+](C)CCN(CC1CCCCC1)C(=O)NCC1([NH+](C)C)CCCC1 ZINC000606620718 507455655 /nfs/dbraw/zinc/45/56/55/507455655.db2.gz KPFQTFYGDNUFRN-UHFFFAOYSA-N 2 0 352.567 3.014 20 0 FGADRP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000606628101 507458294 /nfs/dbraw/zinc/45/82/94/507458294.db2.gz RYQPYEWZBUIOQS-NRFANRHFSA-N 2 0 372.557 3.154 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)N[C@H](C)C1CC[NH+](C)CC1)c1ccsc1 ZINC000606638007 507462096 /nfs/dbraw/zinc/46/20/96/507462096.db2.gz NXZIOZVSGXVJSL-QAPCUYQASA-N 2 0 366.575 3.161 20 0 FGADRP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](CCSc3ccc(F)cc3F)C2)CC1 ZINC000595337754 507463342 /nfs/dbraw/zinc/46/33/42/507463342.db2.gz KHAHNEPLHHNXFR-QGZVFWFLSA-N 2 0 369.525 3.157 20 0 FGADRP C[C@@H](NC(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1)C1CC[NH+](C)CC1 ZINC000606692343 507482808 /nfs/dbraw/zinc/48/28/08/507482808.db2.gz QAHFPHYLRRLVCQ-QZTJIDSGSA-N 2 0 372.557 3.242 20 0 FGADRP C[C@@H](C(=O)N1CCC[N@H+](Cc2ccccc2)C[C@H]1C)[NH+]1CCCCCC1 ZINC000607088667 507608129 /nfs/dbraw/zinc/60/81/29/507608129.db2.gz NWFSZSFGRIISCT-UXHICEINSA-N 2 0 357.542 3.374 20 0 FGADRP C[C@H](C(=O)NC[C@@H]1CCC[NH+](Cc2ccccc2)C1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000586756130 507661181 /nfs/dbraw/zinc/66/11/81/507661181.db2.gz CADLQFNUWSLPFT-HDAAZOAOSA-N 2 0 357.542 3.276 20 0 FGADRP C[N@H+](C[C@@H](O)Cn1c2ccccc2c2ccccc21)C[C@@H]1CCC[NH+](C)C1 ZINC000607358491 507700519 /nfs/dbraw/zinc/70/05/19/507700519.db2.gz NLKBPERSSBANLM-RTBURBONSA-N 2 0 365.521 3.429 20 0 FGADRP COc1cc(C)c([C@H](C)[N@@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)cc1C ZINC000614962523 507706206 /nfs/dbraw/zinc/70/62/06/507706206.db2.gz LFJZBVNEBXJYQW-PMACEKPBSA-N 2 0 359.558 3.473 20 0 FGADRP CC[C@H]1CN(C(=O)NCc2ccc(C[NH+]3CCC(C)CC3)cc2)CC[C@H]1[NH3+] ZINC000669115326 567997452 /nfs/dbraw/zinc/99/74/52/567997452.db2.gz MCPBLLWIGBUDQX-LEWJYISDSA-N 2 0 372.557 3.187 20 0 FGADRP Cc1cc(C)cc(NC(=O)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)c1 ZINC000623068852 568158065 /nfs/dbraw/zinc/15/80/65/568158065.db2.gz MVFHIQJLLFUBFB-UHFFFAOYSA-N 2 0 366.509 3.418 20 0 FGADRP Fc1cccc(O[C@@H]2CC[N@H+](Cc3ccc(CN4CCOCC4)cc3)C2)c1 ZINC000643251873 568352437 /nfs/dbraw/zinc/35/24/37/568352437.db2.gz NBMCGSAGFATEJG-JOCHJYFZSA-N 2 0 370.468 3.311 20 0 FGADRP CC[C@@H](C)[NH2+][C@@H](CNC(=O)N1CCC(CC)([NH+](C)C)CC1)c1ccco1 ZINC000637139751 568448278 /nfs/dbraw/zinc/44/82/78/568448278.db2.gz OCGCFYJKTHSASV-SJORKVTESA-N 2 0 364.534 3.225 20 0 FGADRP CC(C)[N@H+](C)Cc1ccccc1C[NH2+]Cc1cc(-c2nn[nH]n2)cs1 ZINC000820111924 606209368 /nfs/dbraw/zinc/20/93/68/606209368.db2.gz GZZAVJBETNIMOA-UHFFFAOYSA-N 2 0 356.499 3.058 20 0 FGADRP c1cc(-c2nn[nH]n2)sc1C[NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000823747992 606406445 /nfs/dbraw/zinc/40/64/45/606406445.db2.gz NEMBHAZVIDISHB-UHFFFAOYSA-N 2 0 368.510 3.204 20 0 FGADRP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2ccc(-c3nn[nH]n3)s2)CC1 ZINC000824936543 608743247 /nfs/dbraw/zinc/74/32/47/608743247.db2.gz IYGKGWFZUFGNSR-HNNXBMFYSA-N 2 0 374.558 3.405 20 0 FGADRP Brc1cccc(OCC[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000037917905 695755586 /nfs/dbraw/zinc/75/55/86/695755586.db2.gz PHMKQTVZZCYKGA-PBHICJAKSA-N 2 0 353.304 3.292 20 0 FGADRP CCC[N@H+](C)C[C@H]1CC[NH+](CC2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000081571756 700338008 /nfs/dbraw/zinc/33/80/08/700338008.db2.gz OEYSXLABUXXKRE-GOSISDBHSA-N 2 0 353.551 3.297 20 0 FGADRP CCOc1cc(C[NH2+]CC2CC[NH+](C)CC2)ccc1OCC(F)(F)F ZINC000105458904 700500878 /nfs/dbraw/zinc/50/08/78/700500878.db2.gz VPIKLTSLAJDNKB-UHFFFAOYSA-N 2 0 360.420 3.458 20 0 FGADRP COC(=O)N1CCC([C@H](C)[NH2+]C2CC[NH+](C3CCCCC3)CC2)CC1 ZINC000186772636 712726223 /nfs/dbraw/zinc/72/62/23/712726223.db2.gz DZTNYSNNQLIFCR-INIZCTEOSA-N 2 0 351.535 3.240 20 0 FGADRP CCC[NH+]1CCC(N(C)C[C@@H](O)c2ccc(F)c(Br)c2)CC1 ZINC000187119047 712733738 /nfs/dbraw/zinc/73/37/38/712733738.db2.gz MYGFECINFSPEKT-QGZVFWFLSA-N 2 0 373.310 3.428 20 0 FGADRP COc1cccc(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)c1F ZINC000192971643 712879268 /nfs/dbraw/zinc/87/92/68/712879268.db2.gz ARZVTFKUXWDWLE-UHFFFAOYSA-N 2 0 350.478 3.159 20 0 FGADRP CC[NH+]1CCC(CC[NH2+]C[C@@]2(C)CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000195209129 713549407 /nfs/dbraw/zinc/54/94/07/713549407.db2.gz JGDUWVMBLFLWCT-HXUWFJFHSA-N 2 0 353.551 3.345 20 0 FGADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](CCC(=O)Nc3cc(Cl)ccc3Cl)C[C@@H]21 ZINC000261897175 713715756 /nfs/dbraw/zinc/71/57/56/713715756.db2.gz OKOROYYWISMVAE-CORIIIEPSA-N 2 0 356.297 3.381 20 0 FGADRP C[C@H]([NH2+]CC1(C)CC[NH+](C)CC1)[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000386575508 713985416 /nfs/dbraw/zinc/98/54/16/713985416.db2.gz NBVNZIUUVCTGHL-DLBZAZTESA-N 2 0 353.551 3.486 20 0 FGADRP C(CC[NH+]1CCC[C@H]2COCC[C@H]21)CC[N@@H+]1CCC[C@@H]2COCC[C@@H]21 ZINC000464860418 714074716 /nfs/dbraw/zinc/07/47/16/714074716.db2.gz ZXGDYQIXNJBTQO-UJOPUZHASA-N 2 0 350.547 3.159 20 0 FGADRP C[C@H](C(=O)Nc1cccc(Br)c1)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000524356443 714280075 /nfs/dbraw/zinc/28/00/75/714280075.db2.gz SFFDDNKEIUWDAN-CYBMUJFWSA-N 2 0 368.319 3.050 20 0 FGADRP Cc1ccc(C[N@@H+](C)CCN(C)C2CC[NH+](C)CC2)cc1Br ZINC000525833599 714381538 /nfs/dbraw/zinc/38/15/38/714381538.db2.gz XFPWHBTVLCLPOG-UHFFFAOYSA-N 2 0 368.363 3.215 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1ncsc1C(C)C ZINC000577022990 714460883 /nfs/dbraw/zinc/46/08/83/714460883.db2.gz TWLCJMUGWXRQJT-OAHLLOKOSA-N 2 0 367.563 3.146 20 0 FGADRP C[NH+](Cc1cc(C[N@@H+](C)C2CCOCC2)ccc1F)C1CCOCC1 ZINC000579798230 714497580 /nfs/dbraw/zinc/49/75/80/714497580.db2.gz BYXCLYXBWUEKNT-UHFFFAOYSA-N 2 0 350.478 3.047 20 0 FGADRP Cc1[nH+]c2ccc(Br)cc2c(N2CCCO[C@H](C[NH3+])C2)c1C ZINC000643052975 718002919 /nfs/dbraw/zinc/00/29/19/718002919.db2.gz HMVHKFMUTUDHGR-CQSZACIVSA-N 2 0 364.287 3.168 20 0 FGADRP CN1CCO[C@@H]([C@@H]([NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)c2ccc(Cl)cc2)C1 ZINC000643532347 718038127 /nfs/dbraw/zinc/03/81/27/718038127.db2.gz GCARWVXWDGINBW-SMOSDQRPSA-N 2 0 365.949 3.066 20 0 FGADRP Brc1ccc2c(c1)OCCC[C@@H]2[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000643534964 718038228 /nfs/dbraw/zinc/03/82/28/718038228.db2.gz GSTUFVSAJIRFQX-GOEBONIOSA-N 2 0 351.288 3.395 20 0 FGADRP CN1CCO[C@H]([C@@H]([NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)c2ccc(Cl)cc2)C1 ZINC000643532346 718038234 /nfs/dbraw/zinc/03/82/34/718038234.db2.gz GCARWVXWDGINBW-FVCZOJIISA-N 2 0 365.949 3.066 20 0 FGADRP Brc1ccc([C@H]([NH2+][C@H]2CC23CC[NH2+]CC3)[C@H]2CCCO2)cc1 ZINC000643534838 718038277 /nfs/dbraw/zinc/03/82/77/718038277.db2.gz DNJDECXSLYKQOU-IKGGRYGDSA-N 2 0 365.315 3.401 20 0 FGADRP COc1ccc(Cl)cc1NC(=O)CC[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623439039 715336332 /nfs/dbraw/zinc/33/63/32/715336332.db2.gz UFSBJGXPEMCVJH-AWEZNQCLSA-N 2 0 353.894 3.140 20 0 FGADRP C[N@@H+]1CCCC[C@@H](C[NH2+]C2CCN(C(=O)c3ccccc3Cl)CC2)C1 ZINC000623657035 715380621 /nfs/dbraw/zinc/38/06/21/715380621.db2.gz IOLXOQPCJPUXAU-INIZCTEOSA-N 2 0 363.933 3.266 20 0 FGADRP C[NH+]1CCC(N2CC[C@H]([NH2+][C@H]3CCc4cc(F)c(Cl)cc43)C2)CC1 ZINC000623892990 715426251 /nfs/dbraw/zinc/42/62/51/715426251.db2.gz BKOBYRDEROENER-LIRRHRJNSA-N 2 0 351.897 3.225 20 0 FGADRP Clc1ccc(N2CCO[C@@H](C[NH2+]C3CC[NH+](CC4CC4)CC3)C2)cc1 ZINC000624118576 715475676 /nfs/dbraw/zinc/47/56/76/715475676.db2.gz LCWJTLJIHVKVIB-FQEVSTJZSA-N 2 0 363.933 3.009 20 0 FGADRP C[C@@H](CCC[NH3+])NC(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000627096034 715996240 /nfs/dbraw/zinc/99/62/40/715996240.db2.gz PFBGGUAUJTTYQZ-XHDPSFHLSA-N 2 0 361.317 3.023 20 0 FGADRP Cc1cc(C[N@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)ncc1Br ZINC000628280233 716134781 /nfs/dbraw/zinc/13/47/81/716134781.db2.gz WTIJFCYTIDQYHV-OAHLLOKOSA-N 2 0 352.320 3.316 20 0 FGADRP C[NH+](C)CCCCC(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000628968768 716193586 /nfs/dbraw/zinc/19/35/86/716193586.db2.gz OWDDFKOGEPURTG-MRXNPFEDSA-N 2 0 360.329 3.444 20 0 FGADRP O[C@H](C[NH2+]C[C@@H]1CCN1C1CCCCC1)COCc1ccccc1Cl ZINC000629609128 716321211 /nfs/dbraw/zinc/32/12/11/716321211.db2.gz WRXDJOWSMJNKGN-RBUKOAKNSA-N 2 0 366.933 3.214 20 0 FGADRP CN(C(=O)CC[C@H]1CCCC[N@@H+]1C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000630005947 716376595 /nfs/dbraw/zinc/37/65/95/716376595.db2.gz IEBMOOZDDGRGFE-OAHLLOKOSA-N 2 0 363.468 3.126 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000769386187 723683847 /nfs/dbraw/zinc/68/38/47/723683847.db2.gz YJYPYJWHOPDQKQ-KSZLIROESA-N 2 0 353.551 3.344 20 0 FGADRP C[C@H]1C[C@@H](C(=O)N[C@H](C[NH+](C)C)c2ccc(Cl)c(Cl)c2)CC[NH2+]1 ZINC000638662638 717473351 /nfs/dbraw/zinc/47/33/51/717473351.db2.gz BGDORUBNQMGHGE-DETPVDSQSA-N 2 0 358.313 3.100 20 0 FGADRP O[C@@H](C[NH2+]C1CC[NH+](CC2CC2)CC1)COc1ccc(Cl)cc1Cl ZINC000644525589 718119043 /nfs/dbraw/zinc/11/90/43/718119043.db2.gz CQXIQBIUFHMHEX-INIZCTEOSA-N 2 0 373.324 3.197 20 0 FGADRP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]CCC(=O)Nc2cccc(Br)c2)C1 ZINC000644583762 718128473 /nfs/dbraw/zinc/12/84/73/718128473.db2.gz AOMLZLKFMSFORV-GOEBONIOSA-N 2 0 368.319 3.240 20 0 FGADRP CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)C[C@H]1CCCC[C@H]1[NH3+] ZINC000646254574 718273199 /nfs/dbraw/zinc/27/31/99/718273199.db2.gz JMIGYKKGCQKZRO-HUUCEWRRSA-N 2 0 351.457 3.017 20 0 FGADRP Clc1ccccc1Cn1cc(C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cn1 ZINC000647546150 718366952 /nfs/dbraw/zinc/36/69/52/718366952.db2.gz BDNIGOVAVBWWCL-ROUUACIJSA-N 2 0 358.917 3.406 20 0 FGADRP Brc1ccc(N2CC[C@H]([NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@H]4C3)C2)cc1 ZINC000647784224 718377715 /nfs/dbraw/zinc/37/77/15/718377715.db2.gz MQISYBOMHIQMOH-SRABZTEZSA-N 2 0 364.331 3.006 20 0 FGADRP O=C(CC[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1)Nc1ccc(Cl)cc1F ZINC000647902061 718385417 /nfs/dbraw/zinc/38/54/17/718385417.db2.gz ZIHIJOCKJJSPPF-CZUORRHYSA-N 2 0 353.869 3.272 20 0 FGADRP C[C@H](C(=O)NCc1ccc(Cl)cc1)[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647976602 718391173 /nfs/dbraw/zinc/39/11/73/718391173.db2.gz QXJYXPDDNIMLCG-BPQIPLTHSA-N 2 0 363.933 3.056 20 0 FGADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@H+](Cc3ccc(OC(F)(F)F)cc3)C2)C1 ZINC000650706546 718716945 /nfs/dbraw/zinc/71/69/45/718716945.db2.gz NGIWJTARYGSDOU-INMHGKMJSA-N 2 0 358.404 3.304 20 0 FGADRP Cc1cc(Br)ccc1C[N@@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000650707342 718717696 /nfs/dbraw/zinc/71/76/96/718717696.db2.gz DATKHWKSXLSXLB-CGTJXYLNSA-N 2 0 367.331 3.476 20 0 FGADRP [NH3+]CC1(CC[NH2+]C2CCN(Cc3ccccc3Br)CC2)CC1 ZINC000650713086 718718770 /nfs/dbraw/zinc/71/87/70/718718770.db2.gz FAXLRZTZPXSHJO-UHFFFAOYSA-N 2 0 366.347 3.132 20 0 FGADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000650721811 718720152 /nfs/dbraw/zinc/72/01/52/718720152.db2.gz CCFOERJEJSPDMO-OIISXLGYSA-N 2 0 358.404 3.446 20 0 FGADRP C[C@H]([NH2+]CCC1(C[NH3+])CC1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000650744095 718723431 /nfs/dbraw/zinc/72/34/31/718723431.db2.gz GDLSUQCYYXBJKM-HNNXBMFYSA-N 2 0 350.528 3.183 20 0 FGADRP CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+]Cc2ccccc2C[NH2+]C)cc1 ZINC000650758414 718724715 /nfs/dbraw/zinc/72/47/15/718724715.db2.gz PDGISFQILDWFAA-OAHLLOKOSA-N 2 0 361.511 3.018 20 0 FGADRP CC[C@@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)c1cc(OC)c(OC)c(OC)c1 ZINC000652208650 718923087 /nfs/dbraw/zinc/92/30/87/718923087.db2.gz KUKZGJDWKHKTTR-DOTOQJQBSA-N 2 0 350.503 3.485 20 0 FGADRP COc1ccc(Cl)cc1NC(=O)CC[N@@H+]1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000652354084 718935827 /nfs/dbraw/zinc/93/58/27/718935827.db2.gz MRMVGRPDYNGEBF-CJNGLKHVSA-N 2 0 353.894 3.127 20 0 FGADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2CCCOc2ccc(Cl)cc2)C1 ZINC000652361837 718936822 /nfs/dbraw/zinc/93/68/22/718936822.db2.gz QMVOXWXJVXBCBI-QRQLOZEOSA-N 2 0 352.906 3.470 20 0 FGADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@@H+]2CCCOc2cccc(Cl)c2)C1 ZINC000652362256 718936882 /nfs/dbraw/zinc/93/68/82/718936882.db2.gz BKSSGFALQXJPCT-NZSAHSFTSA-N 2 0 352.906 3.470 20 0 FGADRP CC1CC[NH+]([C@H](CNC(=O)[C@H]2CC[C@@H](C3CC3)[NH2+]2)c2cccs2)CC1 ZINC000653106295 719012961 /nfs/dbraw/zinc/01/29/61/719012961.db2.gz ZSOINPWIJARCAD-RCCFBDPRSA-N 2 0 361.555 3.168 20 0 FGADRP CC1CC[NH+]([C@H](CNC(=O)[C@@H]2C[C@]23CCC[NH2+]C3)c2cccs2)CC1 ZINC000655442695 719293572 /nfs/dbraw/zinc/29/35/72/719293572.db2.gz VXJGJEPDIXHVRR-QKLQHJQFSA-N 2 0 361.555 3.027 20 0 FGADRP CCC(CC)[C@@H](CNC1CC[NH+](C[C@H]2CCCO2)CC1)[NH+]1CCCC1 ZINC000655687519 719325626 /nfs/dbraw/zinc/32/56/26/719325626.db2.gz ZBFKYNQPLBWMOA-NHCUHLMSSA-N 2 0 351.579 3.120 20 0 FGADRP COCC[N@H+](C)CCOc1cccc(C[NH2+][C@@H]2CC[C@@H](C)SC2)c1 ZINC000655707773 719328180 /nfs/dbraw/zinc/32/81/80/719328180.db2.gz CNPPQEKZZBYPKV-SJLPKXTDSA-N 2 0 352.544 3.017 20 0 FGADRP FC(F)(F)c1cccnc1C[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000657535194 719667865 /nfs/dbraw/zinc/66/78/65/719667865.db2.gz IKBDXEIPBMLZQE-UHFFFAOYSA-N 2 0 357.420 3.081 20 0 FGADRP CC[C@@H](Cc1ccc(Br)cc1)[NH2+]CCCC[NH+]1CCOCC1 ZINC000657838734 719719675 /nfs/dbraw/zinc/71/96/75/719719675.db2.gz FWJXXPDBDRQVTI-SFHVURJKSA-N 2 0 369.347 3.472 20 0 FGADRP CCCCO[C@@H]1C[C@H]([NH2+]CC2CC[NH+](C3CCOCC3)CC2)C1(C)C ZINC000658067673 719750517 /nfs/dbraw/zinc/75/05/17/719750517.db2.gz OVOYWRLTRRKRLO-VQTJNVASSA-N 2 0 352.563 3.451 20 0 FGADRP CO[C@@H]1CCC[C@H]([C@H](CO)[NH2+]C2CC[NH+]([C@@H]3CCC[C@@H](C)C3)CC2)C1 ZINC000658113510 719759222 /nfs/dbraw/zinc/75/92/22/719759222.db2.gz GYZRMZJLZULGEV-ZVXZJYCBSA-N 2 0 352.563 3.185 20 0 FGADRP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)CCCC(=O)NCC(C)C)C2)s1 ZINC000660498145 720061605 /nfs/dbraw/zinc/06/16/05/720061605.db2.gz XARLSIHWJHBIBE-GOSISDBHSA-N 2 0 365.587 3.363 20 0 FGADRP CC1(C)C[C@@H]([N@@H+]2CCC[C@@]3(CCC[NH+]([C@@H]4COC(C)(C)C4)C3)C2)CO1 ZINC000660566834 720074992 /nfs/dbraw/zinc/07/49/92/720074992.db2.gz RYXXNOHUJQPFEX-LVCYWYKZSA-N 2 0 350.547 3.299 20 0 FGADRP COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1cc(OC(C)C)cc[nH+]1)C2 ZINC001164809127 720126456 /nfs/dbraw/zinc/12/64/56/720126456.db2.gz HGRKNLUSZQBWLG-NQIIRXRSSA-N 2 0 359.514 3.054 20 0 FGADRP C[C@@]1(C2CC2)C[N@H+](CCCCC[NH+]2CCO[C@@](C)(C3CC3)C2)CCO1 ZINC000661166446 720200806 /nfs/dbraw/zinc/20/08/06/720200806.db2.gz AUJLBGFDGYXUMQ-OYRHEFFESA-N 2 0 350.547 3.159 20 0 FGADRP Brc1ccc([C@@H]([NH2+]C[C@@H]2CCC3(C[NH2+]C3)O2)C2CCC2)cc1 ZINC000662280064 720408923 /nfs/dbraw/zinc/40/89/23/720408923.db2.gz CAMVVPALJBFGMZ-IRXDYDNUSA-N 2 0 365.315 3.401 20 0 FGADRP COc1ccc(NC(=O)C[N@@H+]2CCC[C@@H](C)[C@H]2CCC[NH3+])cc1Cl ZINC000662313483 720413951 /nfs/dbraw/zinc/41/39/51/720413951.db2.gz RPXXLLQGKYNSJM-CZUORRHYSA-N 2 0 353.894 3.127 20 0 FGADRP C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)c1cccc2c1C[NH2+]C2 ZINC000662504255 720435776 /nfs/dbraw/zinc/43/57/76/720435776.db2.gz COQRDTPVFACNAW-UHFFFAOYSA-N 2 0 357.885 3.147 20 0 FGADRP C[NH+](C)[C@@H](CNC(=O)c1cccc2c1CC[NH2+]C2)c1ccc(Cl)cc1 ZINC000662753761 720456548 /nfs/dbraw/zinc/45/65/48/720456548.db2.gz VWYFFWQQBCQARG-IBGZPJMESA-N 2 0 357.885 3.018 20 0 FGADRP C[NH+](C)CCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662789066 720458389 /nfs/dbraw/zinc/45/83/89/720458389.db2.gz RMTJUPXPVHYJHH-HDJSIYSDSA-N 2 0 358.313 3.011 20 0 FGADRP CC(C)[C@H]([NH3+])CC[NH2+][C@@H](C)CC(=O)Nc1ccc(Br)cc1 ZINC000663503364 720520268 /nfs/dbraw/zinc/52/02/68/720520268.db2.gz PXXSQANRWDKACL-SWLSCSKDSA-N 2 0 356.308 3.129 20 0 FGADRP C[NH2+]CCCC(=O)N1CCC([NH2+][C@H](C)c2ccc(F)cc2Cl)CC1 ZINC000665285822 720749976 /nfs/dbraw/zinc/74/99/76/720749976.db2.gz XOSDYLJEFXKXBL-CYBMUJFWSA-N 2 0 355.885 3.120 20 0 FGADRP Cc1cc2[nH]ccc2c(N2CCn3c(C[N@@H+](C)C(C)C)cnc3[C@H]2C)[nH+]1 ZINC001164860385 720968966 /nfs/dbraw/zinc/96/89/66/720968966.db2.gz NRMMMPRDTQLQNU-OAHLLOKOSA-N 2 0 352.486 3.489 20 0 FGADRP CCOc1cc(C[NH2+][C@@H]2CC23CC[NH2+]CC3)cc(Br)c1OC ZINC000666950830 721004812 /nfs/dbraw/zinc/00/48/12/721004812.db2.gz KXCUVKKBJBBMAU-OAHLLOKOSA-N 2 0 369.303 3.088 20 0 FGADRP C[NH+](C)Cc1cccc(C(=O)N[C@H](C[NH+](C)C)c2ccc(Cl)cc2)c1 ZINC000670172718 721522404 /nfs/dbraw/zinc/52/24/04/721522404.db2.gz OLZCIQCVZIZAKE-LJQANCHMSA-N 2 0 359.901 3.434 20 0 FGADRP CC[C@@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)c1cc(Cl)ccc1OC ZINC000675741355 721771607 /nfs/dbraw/zinc/77/16/07/721771607.db2.gz CBMQSQAHZASILW-QGZVFWFLSA-N 2 0 353.938 3.415 20 0 FGADRP Cc1cc(Cl)c2c(c1)[C@@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)CCCO2 ZINC000676076616 721785138 /nfs/dbraw/zinc/78/51/38/721785138.db2.gz UXOPWHNMQNUWBW-SFHVURJKSA-N 2 0 365.949 3.478 20 0 FGADRP C[NH+]1CCC(Oc2ccnc(N3CCCC[C@H]3CC[NH+]3CCCC3)c2)CC1 ZINC001165049188 721978249 /nfs/dbraw/zinc/97/82/49/721978249.db2.gz IDEDYKGZDMWRNE-IBGZPJMESA-N 2 0 372.557 3.399 20 0 FGADRP COc1ccc2c(c1)[C@@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)CCCS2 ZINC000682131024 722238547 /nfs/dbraw/zinc/23/85/47/722238547.db2.gz PLZDHQHEAJVNJT-SFHVURJKSA-N 2 0 363.571 3.238 20 0 FGADRP CSc1ccc(C[NH+]2CCC(N3CC[NH+](C(C)C)CC3)CC2)s1 ZINC000685839577 722404601 /nfs/dbraw/zinc/40/46/01/722404601.db2.gz MZTWNKIKHGZXHK-UHFFFAOYSA-N 2 0 353.601 3.460 20 0 FGADRP C[C@@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000700800000 722409933 /nfs/dbraw/zinc/40/99/33/722409933.db2.gz NVPSAQQPLOPGMH-SJORKVTESA-N 2 0 353.551 3.344 20 0 FGADRP C[NH+](C)[C@@H]1CCC[C@H]([NH2+][C@@H]2C[C@H]3C[C@@H](C2)N(C(=O)OC(C)(C)C)C3)C1 ZINC000715543003 722415903 /nfs/dbraw/zinc/41/59/03/722415903.db2.gz NGJWOAVOGSURBM-AVEIZBFRSA-N 2 0 351.535 3.237 20 0 FGADRP CC(C)[N@H+](C)CC1CC[NH+](C[C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000741781555 722549065 /nfs/dbraw/zinc/54/90/65/722549065.db2.gz DTDNZJIZUYMTOF-GOSISDBHSA-N 2 0 353.551 3.296 20 0 FGADRP C[C@@H](CNC(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C)[NH+]1CCCCC1 ZINC000746758404 722617413 /nfs/dbraw/zinc/61/74/13/722617413.db2.gz VUOIKGXFOQTAOX-YJBOKZPZSA-N 2 0 366.937 3.116 20 0 FGADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)/C=C\c1ccc(Cl)cc1 ZINC000747229717 722637915 /nfs/dbraw/zinc/63/79/15/722637915.db2.gz WLYDKJSEHUHKMX-XFXZXTDPSA-N 2 0 351.922 3.085 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=S)Nc1ccc(F)cc1F ZINC000751009174 722790235 /nfs/dbraw/zinc/79/02/35/722790235.db2.gz BVEKRZUYAYEMHN-OAHLLOKOSA-N 2 0 370.513 3.010 20 0 FGADRP C[C@H]([NH2+]CC[C@H]1CCCC[N@@H+]1C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000754315218 722934428 /nfs/dbraw/zinc/93/44/28/722934428.db2.gz ODJAUIRIWVWGHV-OKZBNKHCSA-N 2 0 353.551 3.486 20 0 FGADRP C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)NCCCCCCC[NH+]1CCCC1 ZINC000754374690 722936184 /nfs/dbraw/zinc/93/61/84/722936184.db2.gz IDOSVVSTRHJPCL-OALUTQOASA-N 2 0 352.567 3.014 20 0 FGADRP C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCC[N@H+](CC[C@@H]2CCCC[NH+]2C)C1 ZINC000760905351 723103491 /nfs/dbraw/zinc/10/34/91/723103491.db2.gz AYSVEZYYVUFZTK-KSZLIROESA-N 2 0 353.551 3.486 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@H](O)c2ccc(Cl)cc2)[C@@H](C)C1 ZINC000764747357 723442046 /nfs/dbraw/zinc/44/20/46/723442046.db2.gz HJWIQEONDUBUMR-ZYSHUDEJSA-N 2 0 354.922 3.100 20 0 FGADRP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CC[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000765024679 723470962 /nfs/dbraw/zinc/47/09/62/723470962.db2.gz GYSGTXAORAWBNR-YLJYHZDGSA-N 2 0 351.535 3.194 20 0 FGADRP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CC[C@@H]2[C@H](CCN2C(=O)OC(C)(C)C)C1 ZINC000795102528 723563116 /nfs/dbraw/zinc/56/31/16/723563116.db2.gz URXVTQAOUMFKCM-KZNAEPCWSA-N 2 0 351.535 3.192 20 0 FGADRP C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C)Cc1ccc(C[NH+](C)C)cc1 ZINC000768239152 723651458 /nfs/dbraw/zinc/65/14/58/723651458.db2.gz GJZAPYALQPSROY-INIZCTEOSA-N 2 0 360.523 3.345 20 0 FGADRP CC(C)N(CCC[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21)C(=O)OC(C)(C)C ZINC000796766825 723654122 /nfs/dbraw/zinc/65/41/22/723654122.db2.gz YDOCGLQYFKOSSX-RCCFBDPRSA-N 2 0 353.551 3.484 20 0 FGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+]Cc2cc(C)cc(Br)c2)CC1 ZINC000774992644 723949378 /nfs/dbraw/zinc/94/93/78/723949378.db2.gz SCLIWEJGERUJRR-MRXNPFEDSA-N 2 0 368.363 3.121 20 0 FGADRP O[C@H](C[NH2+][C@H](c1ccc(Br)cc1)C1CCC1)C[NH+]1CCCC1 ZINC000775204508 723970912 /nfs/dbraw/zinc/97/09/12/723970912.db2.gz SSXFHRCOBJQFLL-MSOLQXFVSA-N 2 0 367.331 3.337 20 0 FGADRP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CC[C@H](CNC(=O)OC(C)(C)C)CC2)CC[N@@H+]1C ZINC000808726321 725214957 /nfs/dbraw/zinc/21/49/57/725214957.db2.gz YEENGUVCRISIQS-TVFCKZIOSA-N 2 0 353.551 3.390 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1)c1ccsc1 ZINC000810115593 725289735 /nfs/dbraw/zinc/28/97/35/725289735.db2.gz LCANAGMLYKYQDB-APWZRJJASA-N 2 0 369.550 3.460 20 0 FGADRP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC000810146488 725292721 /nfs/dbraw/zinc/29/27/21/725292721.db2.gz RMWZFAAIGRZENH-HLIPFELVSA-N 2 0 355.542 3.073 20 0 FGADRP C[C@@H]1C[N@@H+]([C@H]2CC[NH+]3CCC[C@H]3C2)C[C@@]1(C)CNC(=O)OC(C)(C)C ZINC000810247732 725299650 /nfs/dbraw/zinc/29/96/50/725299650.db2.gz WKYCIAAFVXMNNO-NHAYFPRASA-N 2 0 351.535 3.096 20 0 FGADRP CSC1(C[NH2+][C@H](C)C[C@@H](C)NC(=O)OC(C)(C)C)CC[NH+](C)CC1 ZINC000810253071 725299980 /nfs/dbraw/zinc/29/99/80/725299980.db2.gz ZCEBJJUBTUXSSZ-HUUCEWRRSA-N 2 0 359.580 3.095 20 0 FGADRP S=C1SCCN1C[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000814226039 726948822 /nfs/dbraw/zinc/94/88/22/726948822.db2.gz ZQRRNIFEKBFQAP-UHFFFAOYSA-N 2 0 361.580 3.266 20 0 FGADRP C[C@@H]1C[C@@H](C)N(CC(=O)Nc2ccc(SC(F)F)cc2)C[C@@H]1C[NH3+] ZINC000817880205 727286981 /nfs/dbraw/zinc/28/69/81/727286981.db2.gz MCOBPYMQROZJEL-UPJWGTAASA-N 2 0 357.470 3.245 20 0 FGADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@H](C)c1cccc(NS(C)(=O)=O)c1 ZINC000817906834 727287796 /nfs/dbraw/zinc/28/77/96/727287796.db2.gz IHLOVOOGENGNIG-INMHGKMJSA-N 2 0 353.532 3.020 20 0 FGADRP O[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)c1ccccc1Br ZINC000817934606 727288691 /nfs/dbraw/zinc/28/86/91/727288691.db2.gz IZODGSNIBYIDMF-DZOHQFGASA-N 2 0 367.331 3.383 20 0 FGADRP CCOC(=O)C(F)(F)[C@@H]1CCC[C@H]([NH2+]Cc2ccc3c(c2)C[NH2+]C3)C1 ZINC000817968176 727289652 /nfs/dbraw/zinc/28/96/52/727289652.db2.gz GYBILQLSDSSXQJ-SJORKVTESA-N 2 0 352.425 3.137 20 0 FGADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+]C[C@@H](O)c2cccc(Br)c2)C1 ZINC000818984347 727334193 /nfs/dbraw/zinc/33/41/93/727334193.db2.gz FIAJAFZFPSWONH-RHSMWYFYSA-N 2 0 355.320 3.193 20 0 FGADRP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCCCC[C@@H]1C[C@H](O)c1cccs1 ZINC000821387743 729082346 /nfs/dbraw/zinc/08/23/46/729082346.db2.gz WTOOGTAYDRFMJY-SQNIBIBYSA-N 2 0 354.560 3.117 20 0 FGADRP CC[NH+](CC)CCC[C@@H](C)NC(=O)[C@@H]([NH3+])c1cccc(C(F)(F)F)c1 ZINC000876708038 736135221 /nfs/dbraw/zinc/13/52/21/736135221.db2.gz FWIKEYXRZDGPMO-CJNGLKHVSA-N 2 0 359.436 3.332 20 0 FGADRP CSC1(C[NH2+]C[C@@H](CNC(=O)OC(C)(C)C)C(C)C)CC[NH+](C)CC1 ZINC000824417358 729336947 /nfs/dbraw/zinc/33/69/47/729336947.db2.gz UXBTVGZHNYYKOW-INIZCTEOSA-N 2 0 373.607 3.200 20 0 FGADRP Cc1cc([C@H]([NH3+])CC(=O)Nc2ccc(CC[NH+](C)C)cc2)cc(Cl)n1 ZINC000828540410 729444812 /nfs/dbraw/zinc/44/48/12/729444812.db2.gz ALBKRQATNGLTAO-QGZVFWFLSA-N 2 0 360.889 3.176 20 0 FGADRP CC[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000834513352 729808747 /nfs/dbraw/zinc/80/87/47/729808747.db2.gz KYBYIXLCGXZHLA-XWTMOSNGSA-N 2 0 351.535 3.381 20 0 FGADRP CC[C@@H]([NH2+]CC1CC[NH+](CC)CC1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000834566190 729815071 /nfs/dbraw/zinc/81/50/71/729815071.db2.gz GCVDPMQYZDBPBL-QZTJIDSGSA-N 2 0 353.551 3.486 20 0 FGADRP CSC1(C[NH2+][C@@H](C)c2nc(Br)cs2)CC[NH+](C)CC1 ZINC000834806986 729835608 /nfs/dbraw/zinc/83/56/08/729835608.db2.gz MCXNUZBNSBCJNI-JTQLQIEISA-N 2 0 364.378 3.384 20 0 FGADRP C[C@H]([NH2+]CCC[C@@H]1CCCN1C(=O)OC(C)(C)C)C1CC[NH+](C)CC1 ZINC000834893967 729844326 /nfs/dbraw/zinc/84/43/26/729844326.db2.gz RHHFESJBFGOVSD-FUHWJXTLSA-N 2 0 353.551 3.486 20 0 FGADRP CC[C@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000840810340 730177556 /nfs/dbraw/zinc/17/75/56/730177556.db2.gz RWAWHJQBEIXLAU-FGTMMUONSA-N 2 0 353.551 3.486 20 0 FGADRP CCOc1cc(C[NH2+]C2CCC([NH3+])CC2)cc(Br)c1OC ZINC000843105907 730585535 /nfs/dbraw/zinc/58/55/35/730585535.db2.gz HOBFKLAJRLCVOA-UHFFFAOYSA-N 2 0 357.292 3.216 20 0 FGADRP Ic1ccccc1C[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000843126434 730588780 /nfs/dbraw/zinc/58/87/80/730588780.db2.gz REXLDUKNALCKDN-ZIAGYGMSSA-N 2 0 370.278 3.113 20 0 FGADRP CO[C@@H]1CC[C@@H]([NH+]2CCC[C@@]3(CCC[N@@H+]([C@H]4CC[C@@H](OC)C4)C3)C2)C1 ZINC000852057321 731539593 /nfs/dbraw/zinc/53/95/93/731539593.db2.gz KZSGVPMTURJZGK-FDKIHUSFSA-N 2 0 350.547 3.299 20 0 FGADRP CC[NH+]1CCN(CCC[NH2+]Cc2cc(C)c(F)cc2Br)CC1 ZINC000858096477 732179833 /nfs/dbraw/zinc/17/98/33/732179833.db2.gz FHCITKJZHLFPRA-UHFFFAOYSA-N 2 0 372.326 3.014 20 0 FGADRP C[N@@H+]1CC[C@@H]([NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)C23CCC3)CC1(C)C ZINC000858228232 732194365 /nfs/dbraw/zinc/19/43/65/732194365.db2.gz FHCQHMACKOQHCE-HZPDHXFCSA-N 2 0 351.535 3.381 20 0 FGADRP CC[C@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000858491471 732220108 /nfs/dbraw/zinc/22/01/08/732220108.db2.gz IRQHZLOKVRSARK-BZSNNMDCSA-N 2 0 353.551 3.486 20 0 FGADRP C[NH+](CC[Si](C)(C)CC[N@@H+](C)CC1CCOCC1)CC1CCOCC1 ZINC000859220153 732291324 /nfs/dbraw/zinc/29/13/24/732291324.db2.gz BXCMSJBBNNVNBR-UHFFFAOYSA-N 2 0 370.654 3.412 20 0 FGADRP C[NH+](C)C1CCC([NH2+]C[C@@H]2CC(F)(F)CN2C(=O)OC(C)(C)C)CC1 ZINC000862397379 732824286 /nfs/dbraw/zinc/82/42/86/732824286.db2.gz PPWUWSQLJKAIME-NRXISQOPSA-N 2 0 361.477 3.094 20 0 FGADRP OC[C@@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+]Cc1cnc(Cl)c(F)c1 ZINC000865525126 733220131 /nfs/dbraw/zinc/22/01/31/733220131.db2.gz TXIHJMAONKPRHK-KRWDZBQOSA-N 2 0 363.864 3.121 20 0 FGADRP CC(C)[NH+]1CCC(CC[NH2+][C@H](C)c2ccc(S(C)(=O)=O)c(F)c2)CC1 ZINC000866467834 733354005 /nfs/dbraw/zinc/35/40/05/733354005.db2.gz ROUFBZMJLUIXHQ-OAHLLOKOSA-N 2 0 370.534 3.390 20 0 FGADRP C[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCC[C@@H]([NH3+])C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000870910821 733901353 /nfs/dbraw/zinc/90/13/53/733901353.db2.gz NKLUAOLZXBFGHX-FSZRXZPDSA-N 2 0 367.896 3.106 20 0 FGADRP CSc1ccc(OC[C@@H](O)C[NH2+]C2CCC(C)([NH+](C)C)CC2)cc1 ZINC000872227449 735605121 /nfs/dbraw/zinc/60/51/21/735605121.db2.gz FADGCTDULLIAGH-WUJZJPHMSA-N 2 0 352.544 3.001 20 0 FGADRP O[C@@H](c1ccc(F)cc1)C1CC[NH+](Cc2cc3c(s2)CC[NH2+]C3)CC1 ZINC000873204801 735737348 /nfs/dbraw/zinc/73/73/48/735737348.db2.gz ISOTWUFUKOXTGG-FQEVSTJZSA-N 2 0 360.498 3.479 20 0 FGADRP Cc1ccc(S(=O)(=O)[C@H]2CCCC[C@H]2[NH2+][C@H](C)C2CC[NH2+]CC2)cc1 ZINC000873270311 735745000 /nfs/dbraw/zinc/74/50/00/735745000.db2.gz ZJIMNXPDIHEUHC-AHRSYUTCSA-N 2 0 364.555 3.058 20 0 FGADRP CCCC[NH+]1CCC(NC(=O)[C@H]([NH3+])c2cccc(C(F)(F)F)c2)CC1 ZINC000876739982 736138510 /nfs/dbraw/zinc/13/85/10/736138510.db2.gz BPRPMQGUFPFXND-MRXNPFEDSA-N 2 0 357.420 3.086 20 0 FGADRP CC[NH+]1CCN([C@H](C)C[NH2+]Cc2cc3nc(Cl)ccc3s2)CC1 ZINC000876930594 736164071 /nfs/dbraw/zinc/16/40/71/736164071.db2.gz BLQIVMLDNDAWNV-CYBMUJFWSA-N 2 0 352.935 3.065 20 0 FGADRP C[N@H+](Cc1cc2c(ccnc2Cl)o1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000877525470 736678303 /nfs/dbraw/zinc/67/83/03/736678303.db2.gz DMQUYRDVTIDUPL-HNNXBMFYSA-N 2 0 362.905 3.082 20 0 FGADRP C[NH+](C)C1(C)CCC([NH2+]Cc2nc3ccccn3c2Br)CC1 ZINC000877711360 736709176 /nfs/dbraw/zinc/70/91/76/736709176.db2.gz FPNWRPLOZOGZTL-UHFFFAOYSA-N 2 0 365.319 3.449 20 0 FGADRP CC(C)(O)C[NH+]1CCC([NH2+][C@@H]2CCCO[C@H]2c2ccc(Cl)cc2)CC1 ZINC000877758779 736715161 /nfs/dbraw/zinc/71/51/61/736715161.db2.gz DYKYIJSAKRDNSB-MOPGFXCFSA-N 2 0 366.933 3.385 20 0 FGADRP CCN(C(C)=O)c1nc(C[N@H+](CC(C)C)CC2CC[NH+](C)CC2)cs1 ZINC000877767848 736717035 /nfs/dbraw/zinc/71/70/35/736717035.db2.gz XENVLMLXHSMPHG-UHFFFAOYSA-N 2 0 366.575 3.316 20 0 FGADRP CC(C)C[N@@H+](Cc1csc(-c2cnn(C)c2)n1)CC1CC[NH+](C)CC1 ZINC000877767490 736717382 /nfs/dbraw/zinc/71/73/82/736717382.db2.gz KTTARFYBGYDFCK-UHFFFAOYSA-N 2 0 361.559 3.343 20 0 FGADRP CC1CC[NH+](C[C@@H]2CCC[N@H+](C[C@@H]3CCC4(CCOCC4)O3)C2)CC1 ZINC000878017772 736758622 /nfs/dbraw/zinc/75/86/22/736758622.db2.gz NPWXXNIZKUIKPT-PMACEKPBSA-N 2 0 350.547 3.159 20 0 FGADRP CN(CCCC[NH+]1CCCCC1)C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000883162913 737530926 /nfs/dbraw/zinc/53/09/26/737530926.db2.gz IQXGQDNTTKBWEM-UHFFFAOYSA-N 2 0 352.567 3.157 20 0 FGADRP CC(C)[C@H]([NH3+])C(C)(C)C(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000884226549 737645646 /nfs/dbraw/zinc/64/56/46/737645646.db2.gz WGHBRFDJRBJJMI-XIRDDKMYSA-N 2 0 351.560 3.257 20 0 FGADRP CC1([NH+]2CCCC2)CCC([NH2+]CCNC(=O)c2ccccc2Cl)CC1 ZINC000886527160 739264560 /nfs/dbraw/zinc/26/45/60/739264560.db2.gz ZVJQCWOCDWXEOX-UHFFFAOYSA-N 2 0 363.933 3.457 20 0 FGADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CC[C@H](C(=O)OCC)[C@H](C(F)(F)F)C2)C1 ZINC000892668123 740029341 /nfs/dbraw/zinc/02/93/41/740029341.db2.gz HFTBRSACZNTBAL-LVQVYYBASA-N 2 0 364.452 3.218 20 0 FGADRP CN1CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000893209590 742124722 /nfs/dbraw/zinc/12/47/22/742124722.db2.gz LIBLQPIGLKCNRT-UCQLUEMLSA-N 2 0 351.897 3.439 20 0 FGADRP CC[NH+](CC)CCCC1CC[NH+]([C@@H]2CCC3(C[C@@H]2F)OCCO3)CC1 ZINC000893499036 742163100 /nfs/dbraw/zinc/16/31/00/742163100.db2.gz QSOLCANVWSKIOA-RBUKOAKNSA-N 2 0 356.526 3.454 20 0 FGADRP C[NH+](C)C1CC[NH+](CC2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)CC1 ZINC000893954324 742218200 /nfs/dbraw/zinc/21/82/00/742218200.db2.gz KUUHNTFSGUKDPB-ZNXRZULTSA-N 2 0 351.535 3.191 20 0 FGADRP CC1(C)C[NH2+]CC[C@@H]([NH2+]C2CCN(Cc3ccc(F)c(F)c3)CC2)C1 ZINC000902316450 743730985 /nfs/dbraw/zinc/73/09/85/743730985.db2.gz RUWYGTMFNZSAQQ-QGZVFWFLSA-N 2 0 351.485 3.297 20 0 FGADRP CC(C)[C@@H](C[NH2+][C@H](C)c1ccc(C(F)(F)F)cn1)N1CC[NH+](C)CC1 ZINC000902739156 743771913 /nfs/dbraw/zinc/77/19/13/743771913.db2.gz IUWBVKFNGFRRJA-RHSMWYFYSA-N 2 0 358.452 3.023 20 0 FGADRP O[C@H](C[C@@H]1CCCCC[N@@H+]1C[C@@H]1C[C@]2(CC[NH2+]C2)CO1)c1cccs1 ZINC000903734473 743880185 /nfs/dbraw/zinc/88/01/85/743880185.db2.gz RLSMFQVUXIQGBG-GNBUJSLZSA-N 2 0 364.555 3.185 20 0 FGADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@H+](CCOc3ccc(F)c(Cl)c3)C2)C1 ZINC000903764293 743881300 /nfs/dbraw/zinc/88/13/00/743881300.db2.gz QWMIVAQHFFJACY-PMUMKWKESA-N 2 0 356.869 3.076 20 0 FGADRP Cc1cccc(C[NH+]2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)c1Br ZINC000903761574 743881505 /nfs/dbraw/zinc/88/15/05/743881505.db2.gz WICYGNQTJNNFIP-IAGOWNOFSA-N 2 0 367.331 3.476 20 0 FGADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@H+](CCOc3ccc(F)c(Cl)c3)C2)C1 ZINC000903764292 743881530 /nfs/dbraw/zinc/88/15/30/743881530.db2.gz QWMIVAQHFFJACY-LBTNJELSSA-N 2 0 356.869 3.076 20 0 FGADRP Clc1ccc(C2([NH2+]Cc3cnnn3[C@@H]3CCC[NH2+]C3)CCCC2)cc1 ZINC000903898697 743893901 /nfs/dbraw/zinc/89/39/01/743893901.db2.gz NKMAVIAOCOVYPY-QGZVFWFLSA-N 2 0 359.905 3.415 20 0 FGADRP CCC[C@@H]([NH2+]C[C@H](C[NH3+])Cc1cnn(C)c1C)c1ccc(F)cc1F ZINC000903922998 743897679 /nfs/dbraw/zinc/89/76/79/743897679.db2.gz JCAWCXUCHYOJNJ-IFXJQAMLSA-N 2 0 350.457 3.255 20 0 FGADRP COc1ccc(C2(C[NH2+]C[C@@H]([NH3+])CC(F)F)CCCCC2)cc1OC ZINC000903922534 743897886 /nfs/dbraw/zinc/89/78/86/743897886.db2.gz YXYJTKPWKTYPIO-HNNXBMFYSA-N 2 0 356.457 3.478 20 0 FGADRP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@H]2C[NH2+]CCC2(F)F)cc1Cl ZINC000903957413 743905273 /nfs/dbraw/zinc/90/52/73/743905273.db2.gz QNNCSICJXNENBY-CHWSQXEVSA-N 2 0 359.848 3.200 20 0 FGADRP C[C@@](O)(C[NH2+][C@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1)C(F)(F)F ZINC000905709353 744045802 /nfs/dbraw/zinc/04/58/02/744045802.db2.gz LNSVMNNEOVIHIJ-VSZNYVQBSA-N 2 0 356.432 3.190 20 0 FGADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@H]2CC[C@@H](CNC(=O)OC(C)(C)C)C2)C1 ZINC000921688962 758770781 /nfs/dbraw/zinc/77/07/81/758770781.db2.gz MVLBPIYLXOKYRU-KURKYZTESA-N 2 0 353.551 3.390 20 0 FGADRP Cn1ccc(-c2nc(C[NH2+]C3CCC([NH+]4CCCCC4)CC3)cs2)n1 ZINC000921823099 758802981 /nfs/dbraw/zinc/80/29/81/758802981.db2.gz PWFAKMXOTIDDJF-UHFFFAOYSA-N 2 0 359.543 3.430 20 0 FGADRP C[NH+](C)CC1CCC([NH2+][C@@H]2CC[C@@H](CNC(=O)OC(C)(C)C)C2)CC1 ZINC000921920033 758819886 /nfs/dbraw/zinc/81/98/86/758819886.db2.gz DMTOEJINNZRXQY-GPQLOAJWSA-N 2 0 353.551 3.390 20 0 FGADRP CSC1(C[NH2+][C@H]2CC[C@@H](CNC(=O)OC(C)(C)C)C2)CC[NH+](C)CC1 ZINC000922138021 758857355 /nfs/dbraw/zinc/85/73/55/758857355.db2.gz GGVZGEIGIZIOOB-CVEARBPZSA-N 2 0 371.591 3.097 20 0 FGADRP CC(C)[C@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1csc(Br)c1)C2 ZINC000922386061 758909453 /nfs/dbraw/zinc/90/94/53/758909453.db2.gz DZKZXSQLQFMUKN-XOUADPBQSA-N 2 0 373.360 3.080 20 0 FGADRP CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1nc(C(C)(C)C)cs1)C2 ZINC000922389311 758910474 /nfs/dbraw/zinc/91/04/74/758910474.db2.gz IPXJNQSUEAXXNG-XNWVLMOPSA-N 2 0 351.560 3.010 20 0 FGADRP CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3cccc(O)c3Cl)C2)[C@H]1C(C)C ZINC000922392792 758912368 /nfs/dbraw/zinc/91/23/68/758912368.db2.gz HFZITNCXAWMMDX-OPNNQBFTSA-N 2 0 352.906 3.005 20 0 FGADRP CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]Cc3cc(C)cnc3Cl)C2)[C@H]1C(C)C ZINC000922395585 758913659 /nfs/dbraw/zinc/91/36/59/758913659.db2.gz UASPZCAGIAUSMY-YWTNHNAXSA-N 2 0 351.922 3.003 20 0 FGADRP CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3ccnc(Cl)c3Cl)C2)[C@@H]1C(C)C ZINC000922395633 758913720 /nfs/dbraw/zinc/91/37/20/758913720.db2.gz XUCSLZOVPGLCDX-DEICHXMPSA-N 2 0 372.340 3.348 20 0 FGADRP [NH3+]CC[C@H]1CC[N@H+](Cc2ncc(-c3ccc(Br)cc3)o2)C1 ZINC000923482393 759129427 /nfs/dbraw/zinc/12/94/27/759129427.db2.gz FCKPBXCOIOQNMU-LBPRGKRZSA-N 2 0 350.260 3.275 20 0 FGADRP [NH3+]CC[C@H]1CC[N@H+](CC(=O)N2CCC[C@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000923488559 759130932 /nfs/dbraw/zinc/13/09/32/759130932.db2.gz CEXJQFOSJHDXQY-GUYCJALGSA-N 2 0 370.324 3.328 20 0 FGADRP COc1ccc(-c2nc(C[N@@H+]3CC[C@@H](C[NH3+])[C@H](C)C3)cs2)c(OC)c1 ZINC000923501988 759133688 /nfs/dbraw/zinc/13/36/88/759133688.db2.gz VDDTWMRACXXBFG-KGLIPLIRSA-N 2 0 361.511 3.244 20 0 FGADRP O[C@H](C[NH+]1CCC(C[NH2+]C2C[C@H]3CC[C@@H](C2)S3)CC1)c1ccccc1 ZINC000924981496 759427688 /nfs/dbraw/zinc/42/76/88/759427688.db2.gz XKBQPTHIPVRSJA-OTYNDTSQSA-N 2 0 360.567 3.448 20 0 FGADRP CCOCCC[N@@H+]1CC[C@@H](NC2CC[NH+](CCC(C)C)CC2)[C@@H](C)C1 ZINC000925078384 759443941 /nfs/dbraw/zinc/44/39/41/759443941.db2.gz LNEMEGFKNNMYOV-PZJWPPBQSA-N 2 0 353.595 3.224 20 0 FGADRP FC(F)(F)[C@H]1C[C@H]([NH2+][C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)C[C@@H](C(F)(F)F)C1 ZINC000925527209 759500110 /nfs/dbraw/zinc/50/01/10/759500110.db2.gz QZYXVQRRJGEMNX-KTITTWGGSA-N 2 0 356.354 3.482 20 0 FGADRP C[C@H]1[C@H]2CC[C@@H](C[C@@H]1[NH2+]C1CCN(c3nc4ccccc4s3)CC1)[NH2+]2 ZINC000925587357 759510212 /nfs/dbraw/zinc/51/02/12/759510212.db2.gz XTZUJQORCPOBCY-SCNOPHJPSA-N 2 0 356.539 3.384 20 0 FGADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+]C[C@@H]2C[NH2+]CCC2(F)F)CC1 ZINC000925776881 759534136 /nfs/dbraw/zinc/53/41/36/759534136.db2.gz NHWMIIQXYIIMNA-VIQWUECVSA-N 2 0 351.485 3.264 20 0 FGADRP COC[C@H](CCC[NH3+])[NH2+]Cc1cc(C(F)(F)F)ccc1Br ZINC000925774460 759534364 /nfs/dbraw/zinc/53/43/64/759534364.db2.gz VKNXTFMWXJLLCA-LBPRGKRZSA-N 2 0 369.225 3.311 20 0 FGADRP c1ccc2c(c1)SCC[C@@H]2[NH2+]Cc1ccc(CN2CC[NH2+]CC2)cc1 ZINC000925808013 759546968 /nfs/dbraw/zinc/54/69/68/759546968.db2.gz JHCKDDRAZDHLPS-FQEVSTJZSA-N 2 0 353.535 3.419 20 0 FGADRP C[C@@H]([NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ccc(Cl)cc1Cl ZINC000925857208 759561519 /nfs/dbraw/zinc/56/15/19/759561519.db2.gz SEFWSZMNYCQNTF-YPMHNXCESA-N 2 0 357.281 3.329 20 0 FGADRP C[C@@H]1C[C@H]([NH2+]C[C@]23CCC[C@H]2N(C(=O)OC(C)(C)C)CC3)CC[N@@H+]1C ZINC000927005816 759875285 /nfs/dbraw/zinc/87/52/85/759875285.db2.gz PJACHRNKWIHOLX-WOCWXWTJSA-N 2 0 351.535 3.238 20 0 FGADRP CCCC[N@H+](CC[C@H]1CCS(=O)(=O)C1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000931034113 760761138 /nfs/dbraw/zinc/76/11/38/760761138.db2.gz ODEAVZATIQHJPJ-INIZCTEOSA-N 2 0 358.592 3.223 20 0 FGADRP CC[C@@H]1[C@@H](C(=O)N2CCC[NH+](Cc3cc(C)sc3C)CC2)CC[N@@H+]1C ZINC000981199741 763464327 /nfs/dbraw/zinc/46/43/27/763464327.db2.gz ADYBBBXMFORRGZ-RBUKOAKNSA-N 2 0 363.571 3.130 20 0 FGADRP CC[C@@H]1[C@@H](C(=O)N2CCC([NH2+]Cc3sccc3Cl)CC2)CC[N@@H+]1C ZINC000996604134 765021557 /nfs/dbraw/zinc/02/15/57/765021557.db2.gz RLPUSNXGOXHHEC-GOEBONIOSA-N 2 0 369.962 3.212 20 0 FGADRP CC[C@@H]1[C@@H](C(=O)N(C)C2CC([NH2+]Cc3sccc3Cl)C2)CC[N@@H+]1C ZINC000998794867 765123783 /nfs/dbraw/zinc/12/37/83/765123783.db2.gz RPWLNMWGLNCNCL-VKJZCYHPSA-N 2 0 369.962 3.211 20 0 FGADRP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCC[NH+](Cc3cc(C)sc3C)C2)CC[N@@H+]1C ZINC001007370153 765589619 /nfs/dbraw/zinc/58/96/19/765589619.db2.gz WNQYQCYNELILOJ-CEXWTWQISA-N 2 0 363.571 3.176 20 0 FGADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[NH+](Cc3c(C)cccc3Cl)C2)CC[N@@H+]1C ZINC001014509662 765788035 /nfs/dbraw/zinc/78/80/35/765788035.db2.gz SOOFUCYKNRNDNL-TXPKVOOTSA-N 2 0 363.933 3.069 20 0 FGADRP C[C@@H]1[C@H](C(=O)N2CC[C@H](C[NH+](C)Cc3ccc(Cl)s3)C2)CC[N@@H+]1C ZINC001029741115 766150979 /nfs/dbraw/zinc/15/09/79/766150979.db2.gz JJKUNJMAWCCBTF-IIAWOOMASA-N 2 0 369.962 3.022 20 0 FGADRP C[C@@H]1[C@H](C(=O)N[C@H]2CCCC[NH+](Cc3ccc(Cl)cc3)C2)CC[N@@H+]1C ZINC001034214969 766232953 /nfs/dbraw/zinc/23/29/53/766232953.db2.gz SMULSQYBCDXBNB-AYOQOUSVSA-N 2 0 363.933 3.151 20 0 FGADRP c1ccc(C[N@@H+]2CCCO[C@H](CN3CCC[C@@H]3C[NH+]3CCCCC3)C2)cc1 ZINC000278565912 257374800 /nfs/dbraw/zinc/37/48/00/257374800.db2.gz IUSSTQNWTAPHLS-PKTZIBPZSA-N 2 0 371.569 3.228 20 0 FGADRP Cn1c2ccc(C(F)(F)F)cc2nc1C[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000567898800 505570636 /nfs/dbraw/zinc/57/06/36/505570636.db2.gz BPCCRYQEKQEUOI-KGLIPLIRSA-N 2 0 366.431 3.414 20 0 FGADRP Cc1nccn1-c1ccc([C@H](C)[NH2+]C2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)cc1 ZINC000540160959 503694623 /nfs/dbraw/zinc/69/46/23/503694623.db2.gz KJXVNIOJRIIVQE-USCONSEESA-N 2 0 368.525 3.209 20 0 FGADRP CCc1ccc([C@H](C)NC(=O)[C@H](C)[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)cc1 ZINC000573609096 505577807 /nfs/dbraw/zinc/57/78/07/505577807.db2.gz SUUKTLNJTRQMFY-FIKGOQFSSA-N 2 0 357.542 3.136 20 0 FGADRP CCCC[N@H+](C)C[C@@H](C)NC(=O)N(C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000567977263 505587585 /nfs/dbraw/zinc/58/75/85/505587585.db2.gz LEQAPFDGLCLHIB-TZIWHRDSSA-N 2 0 374.573 3.270 20 0 FGADRP CC(C)C[NH+]1CCC(NC(=O)N[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000568009123 505595705 /nfs/dbraw/zinc/59/57/05/505595705.db2.gz WCISHFPMFLLOTA-QFIPXVFZSA-N 2 0 372.557 3.071 20 0 FGADRP CCN(CC(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1)Cc1ccccc1Cl ZINC000579826499 505627979 /nfs/dbraw/zinc/62/79/79/505627979.db2.gz AYKBXMNRVQREBO-IBGZPJMESA-N 2 0 363.933 3.153 20 0 FGADRP N[C@H](C(=O)N1CCC[N@H+](CC2CCCCC2)CC1)c1c(F)cccc1F ZINC000579828702 505628426 /nfs/dbraw/zinc/62/84/26/505628426.db2.gz LBBCUHOQDSBJLP-IBGZPJMESA-N 2 0 365.468 3.079 20 0 FGADRP C[C@H](C(=O)Nc1cccc(C(F)(F)F)c1)[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000579838766 505630666 /nfs/dbraw/zinc/63/06/66/505630666.db2.gz WWJDEHNLNFKNSH-UKRRQHHQSA-N 2 0 369.431 3.354 20 0 FGADRP C[C@@H]([NH2+]C[C@H]1CC[NH2+][C@H](C)C1)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000573936688 505656050 /nfs/dbraw/zinc/65/60/50/505656050.db2.gz LYZIYFFWOLUWIE-ZACQAIPSSA-N 2 0 352.482 3.373 20 0 FGADRP O=C(NCc1ccccc1C[NH+]1CCCCC1)[C@@H]1C[NH2+]Cc2ccccc21 ZINC000568259554 505654562 /nfs/dbraw/zinc/65/45/62/505654562.db2.gz CXNZGFWARJOPDQ-JOCHJYFZSA-N 2 0 363.505 3.176 20 0 FGADRP CCC[N@H+](CC)C[C@H](C)NC(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000577115386 505667619 /nfs/dbraw/zinc/66/76/19/505667619.db2.gz PXNUADLYIXFGPH-AZUAARDMSA-N 2 0 360.546 3.243 20 0 FGADRP CCC[N@H+](CC)C[C@@H](C)NC(=O)N(C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000574009422 505672742 /nfs/dbraw/zinc/67/27/42/505672742.db2.gz IIDNPBPUOOJAHD-CTNGQTDRSA-N 2 0 374.573 3.270 20 0 FGADRP C[C@@H](OC[C@@H](O)C[NH2+]C1CCC([NH+](C)C)CC1)c1ccc(Cl)cc1 ZINC000574033084 505677252 /nfs/dbraw/zinc/67/72/52/505677252.db2.gz GHTZCVRDKJNBFF-UJPJLTBQSA-N 2 0 354.922 3.241 20 0 FGADRP CC[C@@H](Cc1ccc(C)cc1)[N@H+](CC)CC(=O)NC1CC[NH+](CC)CC1 ZINC000075885786 493790220 /nfs/dbraw/zinc/79/02/20/493790220.db2.gz BXVTXVHBINLGTJ-NRFANRHFSA-N 2 0 359.558 3.239 20 0 FGADRP C[C@H](CC(=O)N[C@@H]1CCN(C)[C@H]1c1ccc(Cl)cc1)[C@H]1CCC[NH2+]C1 ZINC000568388228 505682605 /nfs/dbraw/zinc/68/26/05/505682605.db2.gz LAWDBCSEIKTEET-CAUGKJMWSA-N 2 0 363.933 3.227 20 0 FGADRP C[N@@H+]1CCN(CCC[NH2+]Cc2cccc(F)c2F)[C@@H](c2ccccc2)C1 ZINC000058179029 493829989 /nfs/dbraw/zinc/82/99/89/493829989.db2.gz MVZRBIUNPGGFQY-HXUWFJFHSA-N 2 0 359.464 3.433 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1cc(F)ccc1C ZINC000076330874 493866441 /nfs/dbraw/zinc/86/64/41/493866441.db2.gz JGIIUSLXFKQWOH-QGZVFWFLSA-N 2 0 350.482 3.014 20 0 FGADRP CC(C)[NH+]1CCC(C(=O)N2CC[C@H](C)[N@H+](Cc3ccccc3)CC2)CC1 ZINC000081484364 493901208 /nfs/dbraw/zinc/90/12/08/493901208.db2.gz UPVXEWITZAGBEM-IBGZPJMESA-N 2 0 357.542 3.230 20 0 FGADRP CC[NH+](CC)CC1CC[NH+](C[C@@H](O)Cn2cnc3cc(C)c(C)cc32)CC1 ZINC000051908647 493992731 /nfs/dbraw/zinc/99/27/31/493992731.db2.gz JUPWOQDSMFQCCU-HXUWFJFHSA-N 2 0 372.557 3.068 20 0 FGADRP CCOc1ccc(C[NH2+]CCCC[NH+]2C[C@H](C)O[C@@H](C)C2)cc1OC ZINC000062253076 494008032 /nfs/dbraw/zinc/00/80/32/494008032.db2.gz SMNSKMGIIRXQBE-IRXDYDNUSA-N 2 0 350.503 3.073 20 0 FGADRP C[C@H](CNC(=O)NC1CC[NH+](CC2CCCC2)CC1)[N@@H+]1CCCC[C@H]1C ZINC000063407715 494051730 /nfs/dbraw/zinc/05/17/30/494051730.db2.gz SGKVCCIUQJIBEK-QZTJIDSGSA-N 2 0 364.578 3.203 20 0 FGADRP CCc1nc2cc(C[NH2+][C@@H]3CCOC[C@H]3[C@@H]3CCC[NH2+]3)ccc2n1C1CC1 ZINC000580182218 505698008 /nfs/dbraw/zinc/69/80/08/505698008.db2.gz WZKPPALJKTZRKD-GBESFXJTSA-N 2 0 368.525 3.180 20 0 FGADRP C[C@H](c1cc2ccccc2o1)N(C)C(=O)C[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000577280662 505699476 /nfs/dbraw/zinc/69/94/76/505699476.db2.gz CPUDEEUIBGGVGA-NZSAHSFTSA-N 2 0 369.509 3.274 20 0 FGADRP CC(C)c1ccc([C@H]([NH3+])CNC(=O)N2CCc3ccccc3[C@@H]2C[NH3+])cc1 ZINC000580190938 505699783 /nfs/dbraw/zinc/69/97/83/505699783.db2.gz BILGDBLFFCYJNU-RTWAWAEBSA-N 2 0 366.509 3.078 20 0 FGADRP CC[NH+](CC)Cc1ccc(CNC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)cc1 ZINC000085358364 494116519 /nfs/dbraw/zinc/11/65/19/494116519.db2.gz LRIJJDIYPQLDIN-KRWDZBQOSA-N 2 0 362.562 3.304 20 0 FGADRP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)N2CC[NH+](C3CCCC3)CC2)C1 ZINC000072020131 494117019 /nfs/dbraw/zinc/11/70/19/494117019.db2.gz USNZTJSWECKWAB-QZTJIDSGSA-N 2 0 364.578 3.013 20 0 FGADRP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)N(C)[C@H]2CC[N@H+](C)C[C@H]2C)CC1 ZINC000085405944 494121883 /nfs/dbraw/zinc/12/18/83/494121883.db2.gz BBGRFBMUOVIIMV-LQWHRVPQSA-N 2 0 372.557 3.194 20 0 FGADRP COc1ccc(Br)c(C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)c1 ZINC000087790454 494210390 /nfs/dbraw/zinc/21/03/90/494210390.db2.gz IZPKFNPPJVDDLF-KRWDZBQOSA-N 2 0 353.304 3.422 20 0 FGADRP C[NH+](C)CCN(Cc1ccco1)C(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000088250522 494221653 /nfs/dbraw/zinc/22/16/53/494221653.db2.gz NLLXMSUSNFHSGN-UHFFFAOYSA-N 2 0 369.509 3.082 20 0 FGADRP CCC[NH+]1CCN(c2ccccc2C[NH2+]Cc2ccc(O)c(F)c2)CC1 ZINC000088727675 494256585 /nfs/dbraw/zinc/25/65/85/494256585.db2.gz DQLWJQZMCCOTSC-UHFFFAOYSA-N 2 0 357.473 3.353 20 0 FGADRP CCC[NH+]1CCC(N(C)C(=O)N[C@@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)CC1 ZINC000066187773 494285829 /nfs/dbraw/zinc/28/58/29/494285829.db2.gz QHJRFBDJKPOTND-AZUAARDMSA-N 2 0 372.557 3.338 20 0 FGADRP C[C@@H](NC(=O)C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)c1ccc(Cl)c(Cl)c1 ZINC000568512189 505712874 /nfs/dbraw/zinc/71/28/74/505712874.db2.gz OEJJBUNDUVWMCU-YUELXQCFSA-N 2 0 370.324 3.102 20 0 FGADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@H](c1cccc(Cl)c1)N1CCOCC1 ZINC000089549307 494324225 /nfs/dbraw/zinc/32/42/25/494324225.db2.gz QJVKHPSZVVVPBG-YKCBXCCJSA-N 2 0 365.949 3.032 20 0 FGADRP C[NH+](C)[C@H]1CCC[C@H]([NH2+]CCC(=O)Nc2ccc(Br)cc2)C1 ZINC000577365044 505713596 /nfs/dbraw/zinc/71/35/96/505713596.db2.gz OPVWUEDJUADPIX-HOTGVXAUSA-N 2 0 368.319 3.240 20 0 FGADRP CC(C)[N@@H+](C)C[C@H](C)NC(=O)NC[C@@H]1CCCC[NH+](Cc2ccccc2)C1 ZINC000571371566 505716801 /nfs/dbraw/zinc/71/68/01/505716801.db2.gz QRIUKMBNENLVJD-FPOVZHCZSA-N 2 0 374.573 3.317 20 0 FGADRP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000073550759 494388478 /nfs/dbraw/zinc/38/84/78/494388478.db2.gz KKOCWUKXRVLMBO-NRFANRHFSA-N 2 0 372.557 3.298 20 0 FGADRP Cc1c[nH+]ccc1N1CCC(C(=O)NCCCCC[NH+]2CCCCC2)CC1 ZINC000073561096 494390551 /nfs/dbraw/zinc/39/05/51/494390551.db2.gz MFQODXKPYGVDDD-UHFFFAOYSA-N 2 0 372.557 3.379 20 0 FGADRP CC(C)C[NH+]1CCC(NC(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)CC1 ZINC000079097325 494403957 /nfs/dbraw/zinc/40/39/57/494403957.db2.gz DEZYJVSTOLEYQJ-NRFANRHFSA-N 2 0 372.557 3.243 20 0 FGADRP CC(C)[NH+]1CCC(C(=O)Nc2ccc(OCC[NH+](C)C)c(Cl)c2)CC1 ZINC000073767702 494425755 /nfs/dbraw/zinc/42/57/55/494425755.db2.gz SBNIPEZFIDFQLJ-UHFFFAOYSA-N 2 0 367.921 3.339 20 0 FGADRP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000079267292 494427755 /nfs/dbraw/zinc/42/77/55/494427755.db2.gz XYNJSJVZUYHUOT-WMZOPIPTSA-N 2 0 366.575 3.305 20 0 FGADRP C[C@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)C(C)(C)c1ccccc1 ZINC000090038602 494431531 /nfs/dbraw/zinc/43/15/31/494431531.db2.gz SMESEZBRGGTRSB-SFHVURJKSA-N 2 0 367.537 3.434 20 0 FGADRP C[C@@H](NC(=O)C[NH+]1CCC(CC[NH+](C)C)CC1)c1ccc(Cl)cc1 ZINC000079492603 494465303 /nfs/dbraw/zinc/46/53/03/494465303.db2.gz SCGJOIRRBUMWGP-OAHLLOKOSA-N 2 0 351.922 3.181 20 0 FGADRP COc1ccc([C@H](C)[NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)cc1OC ZINC000090522573 494477154 /nfs/dbraw/zinc/47/71/54/494477154.db2.gz XNXJQTMHZPCMCP-IPELMVKDSA-N 2 0 362.514 3.122 20 0 FGADRP COc1ccc([C@@H](C)[NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)cc1OC ZINC000090522576 494477597 /nfs/dbraw/zinc/47/75/97/494477597.db2.gz XNXJQTMHZPCMCP-LZQZEXGQSA-N 2 0 362.514 3.122 20 0 FGADRP C[C@H]([NH2+][C@@H](C)[C@H](O)Cc1ccccc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000090655031 494490805 /nfs/dbraw/zinc/49/08/05/494490805.db2.gz ODKFMSGVBJRGEF-NPPFBWRTSA-N 2 0 356.510 3.270 20 0 FGADRP CC(C)[N@H+](C)CC1CCN(C(=O)NCCCC[NH+]2CCCC[C@H]2C)CC1 ZINC000079613071 494493440 /nfs/dbraw/zinc/49/34/40/494493440.db2.gz XOGMPCMBFQWLAH-LJQANCHMSA-N 2 0 366.594 3.403 20 0 FGADRP O[C@@H]1C[C@H](CNC2CC[NH+](C3CCCCC3)CC2)[N@H+](Cc2ccccc2)C1 ZINC000090914208 494502946 /nfs/dbraw/zinc/50/29/46/494502946.db2.gz BHZVYALTZFRRTD-DHIUTWEWSA-N 2 0 371.569 3.009 20 0 FGADRP C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)c2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000074318581 494517623 /nfs/dbraw/zinc/51/76/23/494517623.db2.gz KEPYIMGIDBQOAZ-HXUWFJFHSA-N 2 0 355.526 3.086 20 0 FGADRP C[NH+](C)Cc1ccc(CNC(=O)NCCC[N@H+](C)C2CCCCC2)cc1 ZINC000074344728 494522514 /nfs/dbraw/zinc/52/25/14/494522514.db2.gz PESJWFVPDMLAHH-UHFFFAOYSA-N 2 0 360.546 3.202 20 0 FGADRP CC[C@H](C)[N@H+](C)CCNC(=O)N1CCC(C[NH+](C)Cc2ccccc2)CC1 ZINC000067421423 494537813 /nfs/dbraw/zinc/53/78/13/494537813.db2.gz MKIYJPJLRJSSJD-IBGZPJMESA-N 2 0 374.573 3.270 20 0 FGADRP [NH3+]C[C@H](Cc1ccccc1)[C@H]1CCCCN1C(=O)c1ccc2c(c1)C[NH2+]C2 ZINC000580300393 505727622 /nfs/dbraw/zinc/72/76/22/505727622.db2.gz GAWLFYNIRAWLAZ-RBBKRZOGSA-N 2 0 363.505 3.102 20 0 FGADRP CC(C)[C@H]([NH2+]Cc1ccc(CN2CC[NH+](C)CC2)cc1)c1cccnc1 ZINC000091288707 494578302 /nfs/dbraw/zinc/57/83/02/494578302.db2.gz VIMMIBFCAHXZKJ-QFIPXVFZSA-N 2 0 352.526 3.316 20 0 FGADRP Cc1ccc([C@@H]([NH2+]Cc2ccnc(N3CC[NH+](C)CC3)c2)C2CC2)cc1 ZINC000091286924 494578756 /nfs/dbraw/zinc/57/87/56/494578756.db2.gz TVFDELDJSKWZIP-JOCHJYFZSA-N 2 0 350.510 3.383 20 0 FGADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H]1CCc2c1cccc2Br ZINC000091369108 494587846 /nfs/dbraw/zinc/58/78/46/494587846.db2.gz IBDODXJNWSPUKZ-GUYCJALGSA-N 2 0 355.320 3.383 20 0 FGADRP CCCC[N@H+](C)CCNC(=O)N[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000080138791 494609452 /nfs/dbraw/zinc/60/94/52/494609452.db2.gz OPYVYBOUEFQKCA-QUCCMNQESA-N 2 0 360.546 3.071 20 0 FGADRP Cc1ccc([C@@H](CNC(=O)NC[C@H](c2ccsc2)[NH+](C)C)[NH+](C)C)cc1 ZINC000067705295 494617577 /nfs/dbraw/zinc/61/75/77/494617577.db2.gz KGAJJNXDEFFTIH-RTBURBONSA-N 2 0 374.554 3.261 20 0 FGADRP CC(C)[NH2+]C1CCN(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000080166879 494621427 /nfs/dbraw/zinc/62/14/27/494621427.db2.gz HNGNQYSISDRFTB-GHTZIAJQSA-N 2 0 372.557 3.212 20 0 FGADRP C[C@H]1C[C@H](NC(=O)N(C)C[C@@H]2CCC[NH+](C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000080166297 494621810 /nfs/dbraw/zinc/62/18/10/494621810.db2.gz UKGPJZURCCXTCV-CEWLAPEOSA-N 2 0 372.557 3.023 20 0 FGADRP C[C@@H](CNC(=O)N1CCC[N@H+](Cc2ccccc2)CC1)C[NH+]1CCCCC1 ZINC000057042329 494628264 /nfs/dbraw/zinc/62/82/64/494628264.db2.gz KXYHZDAMDMVNGT-FQEVSTJZSA-N 2 0 372.557 3.026 20 0 FGADRP CC1CC[NH+](CCCCNC(=O)NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000107977356 494630259 /nfs/dbraw/zinc/63/02/59/494630259.db2.gz JREKYOHWFLBRLJ-PMACEKPBSA-N 2 0 366.594 3.166 20 0 FGADRP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)N1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000074878973 494639823 /nfs/dbraw/zinc/63/98/23/494639823.db2.gz FFYPNASJFNGVCI-UXHICEINSA-N 2 0 364.578 3.014 20 0 FGADRP C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]CC1CC[NH+](C)CC1 ZINC000126162011 494657276 /nfs/dbraw/zinc/65/72/76/494657276.db2.gz OYLQNHIQAPFIHV-OAHLLOKOSA-N 2 0 351.922 3.008 20 0 FGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H]2CCCOc3cc(C)c(C)cc32)CC1 ZINC000121252943 494668344 /nfs/dbraw/zinc/66/83/44/494668344.db2.gz ZBWBEQUCLAHGKU-UTKZUKDTSA-N 2 0 359.558 3.380 20 0 FGADRP CCc1ccc([C@H](CNC(=O)Nc2ccc3c(c2)C[NH2+]C3)[NH+](C)C)cc1 ZINC000577472387 505734891 /nfs/dbraw/zinc/73/48/91/505734891.db2.gz JPCUQBWKIPAVBA-FQEVSTJZSA-N 2 0 352.482 3.277 20 0 FGADRP C[C@@H]1C[NH+](CC2CC[NH+](Cc3ccc(N4CCCC4)nc3)CC2)C[C@@H](C)O1 ZINC000092587224 494676893 /nfs/dbraw/zinc/67/68/93/494676893.db2.gz ZISMNQDGIRZAOR-RTBURBONSA-N 2 0 372.557 3.003 20 0 FGADRP NC(=O)[C@H]1CCC[N@H+](Cc2cccc(C[NH2+]Cc3ccc(Cl)cc3)c2)C1 ZINC000108420812 494703066 /nfs/dbraw/zinc/70/30/66/494703066.db2.gz OXJGPKJMUTXXHG-IBGZPJMESA-N 2 0 371.912 3.327 20 0 FGADRP CC[C@H](C(=O)NCc1ccccc1-c1ccc(C[NH+](C)C)cc1)[NH+](C)C ZINC000126366783 494727248 /nfs/dbraw/zinc/72/72/48/494727248.db2.gz QRKDFUCAPHKBHP-OAQYLSRUSA-N 2 0 353.510 3.372 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)NC[C@@H]1CCC[NH+](C)C1 ZINC000108549574 494736323 /nfs/dbraw/zinc/73/63/23/494736323.db2.gz CHUWHZFMXMZTSX-MOPGFXCFSA-N 2 0 372.557 3.202 20 0 FGADRP CC(C)[NH+](CCNC(=O)NCc1cccc(C[NH+]2CCCC2)c1)C(C)C ZINC000047683757 494760504 /nfs/dbraw/zinc/76/05/04/494760504.db2.gz HLGXARSTRJGJOB-UHFFFAOYSA-N 2 0 360.546 3.200 20 0 FGADRP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)NC[C@@H](c2cccs2)[NH+](C)C)C1 ZINC000047832211 494781761 /nfs/dbraw/zinc/78/17/61/494781761.db2.gz DSKBZMSJBNTNDD-ZACQAIPSSA-N 2 0 366.575 3.018 20 0 FGADRP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000116422221 494782053 /nfs/dbraw/zinc/78/20/53/494782053.db2.gz GKQDXGJBNNMIHC-ROUUACIJSA-N 2 0 354.583 3.307 20 0 FGADRP CCC[NH+]1CCC(NC(=O)NC2CC[NH+]([C@@H](C)c3ccccc3)CC2)CC1 ZINC000116434594 494784624 /nfs/dbraw/zinc/78/46/24/494784624.db2.gz FFSIGEFYWBWTOP-SFHVURJKSA-N 2 0 372.557 3.386 20 0 FGADRP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N(C)CC2CC[NH+](C)CC2)CC1 ZINC000116435990 494786608 /nfs/dbraw/zinc/78/66/08/494786608.db2.gz AVGIFSLDZKMLRV-GOSISDBHSA-N 2 0 372.557 3.195 20 0 FGADRP CN(c1ccccc1C[N@@H+]1CCC[C@H](n2cccn2)C1)C1CC[NH+](C)CC1 ZINC000092967838 494796866 /nfs/dbraw/zinc/79/68/66/494796866.db2.gz SJJCRJFEFICODM-NRFANRHFSA-N 2 0 367.541 3.251 20 0 FGADRP CCC[NH+]1CCC(N(C)Cc2ccccc2N2CC[NH+](CC)CC2)CC1 ZINC000092165749 494803164 /nfs/dbraw/zinc/80/31/64/494803164.db2.gz UHRUIXTXDDQFPN-UHFFFAOYSA-N 2 0 358.574 3.135 20 0 FGADRP CC[NH+](CC)CCCNC(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000116520321 494806047 /nfs/dbraw/zinc/80/60/47/494806047.db2.gz SOBCMTHQLDWXBN-SFHVURJKSA-N 2 0 360.546 3.243 20 0 FGADRP Cc1cc(Cl)c2c(c1)[C@H]([NH2+]CC1CC[NH+](CCO)CC1)CCCO2 ZINC000126671369 494816013 /nfs/dbraw/zinc/81/60/13/494816013.db2.gz NUHBTCSCBQTKME-GOSISDBHSA-N 2 0 352.906 3.156 20 0 FGADRP Cc1nc2c(s1)[C@@H]([NH2+]Cc1ccc(CN3CC[NH+](C)CC3)cc1)CCC2 ZINC000126724705 494827100 /nfs/dbraw/zinc/82/71/00/494827100.db2.gz UTUNYAZUGVJDMH-IBGZPJMESA-N 2 0 370.566 3.366 20 0 FGADRP O=C(c1cccc(C[NH+]2CCCC2)c1)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000126732642 494827970 /nfs/dbraw/zinc/82/79/70/494827970.db2.gz UYDXSVUIAFBCHF-IFMALSPDSA-N 2 0 367.537 3.371 20 0 FGADRP C[C@H](C(=O)N1CCC[C@@H]1c1cccs1)[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000121647745 494830643 /nfs/dbraw/zinc/83/06/43/494830643.db2.gz WKVYHTJDYFTCBV-SJLPKXTDSA-N 2 0 363.571 3.464 20 0 FGADRP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3cccc(OC4CCCC4)c3)C2)CC1 ZINC000093132769 494831330 /nfs/dbraw/zinc/83/13/30/494831330.db2.gz YEMMRKFMXQFYBL-FQEVSTJZSA-N 2 0 357.542 3.220 20 0 FGADRP COc1cccc([C@H]2CCCN2C(=O)C[NH+]2CCC(CC[NH+](C)C)CC2)c1 ZINC000121668156 494834491 /nfs/dbraw/zinc/83/44/91/494834491.db2.gz OPLVOJDVVAGZOU-OAQYLSRUSA-N 2 0 373.541 3.022 20 0 FGADRP CC(C)[C@H](C[NH2+][C@@H]1CCCOc2c(Cl)cccc21)N1CC[NH+](C)CC1 ZINC000132438872 494874292 /nfs/dbraw/zinc/87/42/92/494874292.db2.gz ROOPKYHRKXOAOK-MOPGFXCFSA-N 2 0 365.949 3.415 20 0 FGADRP CC[NH+]1CCN(CCC[NH2+][C@@H]2CCCOc3cc4c(cc32)CCC4)CC1 ZINC000121902922 494885784 /nfs/dbraw/zinc/88/57/84/494885784.db2.gz CGKASHYZHMBOBN-OAQYLSRUSA-N 2 0 357.542 3.006 20 0 FGADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)NC2CC[NH+](C(C)(C)C)CC2)C1 ZINC000127307913 494925821 /nfs/dbraw/zinc/92/58/21/494925821.db2.gz MUMSTXLFGALRGK-QGZVFWFLSA-N 2 0 352.567 3.061 20 0 FGADRP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1)c1ccc2c(c1)OCO2 ZINC000132813858 494927922 /nfs/dbraw/zinc/92/79/22/494927922.db2.gz ALJCDUBUZZBTQM-INIZCTEOSA-N 2 0 368.477 3.223 20 0 FGADRP COCC[N@H+](C)CCCC1CC[NH+](Cc2cnn(-c3ccccc3)c2)CC1 ZINC000122167234 494935101 /nfs/dbraw/zinc/93/51/01/494935101.db2.gz IJXHDTNWAGTLOF-UHFFFAOYSA-N 2 0 370.541 3.443 20 0 FGADRP C[NH+](C)CCOc1ccccc1C[NH2+]C1CCN(c2ccccc2)CC1 ZINC000122353125 494961934 /nfs/dbraw/zinc/96/19/34/494961934.db2.gz QLVIMEBJJDDYJO-UHFFFAOYSA-N 2 0 353.510 3.386 20 0 FGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccccc2-n2ccc(C)n2)[C@H](C)C1 ZINC000127603420 494969247 /nfs/dbraw/zinc/96/92/47/494969247.db2.gz QWPSYYSSLIEYDD-WIYYLYMNSA-N 2 0 370.541 3.407 20 0 FGADRP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+][C@H]2CCOC(C)(C)C2)CC1 ZINC000133174571 494979751 /nfs/dbraw/zinc/97/97/51/494979751.db2.gz LOOCMNTTWKGFMB-HNNXBMFYSA-N 2 0 351.922 3.139 20 0 FGADRP NC(=O)[C@H]1CCC[N@H+](CCC[NH2+][C@H]2CCc3c2ccc(Cl)c3Cl)C1 ZINC000128214260 495063071 /nfs/dbraw/zinc/06/30/71/495063071.db2.gz HHTAAFATVPADDF-LRDDRELGSA-N 2 0 370.324 3.158 20 0 FGADRP C[C@H]([NH2+]CCCN1CCC[N@H+](C)CC1)c1ccc(F)c(Br)c1 ZINC000128264216 495069300 /nfs/dbraw/zinc/06/93/00/495069300.db2.gz SYQPAEFPYZLUNS-AWEZNQCLSA-N 2 0 372.326 3.266 20 0 FGADRP CCCC[N@H+](C)CC1CCN(C(=O)NC2CCC(C[NH+](C)C)CC2)CC1 ZINC000119050648 495080774 /nfs/dbraw/zinc/08/07/74/495080774.db2.gz CWOFLRJHQZOYCO-UHFFFAOYSA-N 2 0 366.594 3.260 20 0 FGADRP CC[C@@H]1CN(CC[NH+]2CCCCC2)[C@@H](CC)CN1CC[NH+]1CCCCC1 ZINC000119076111 495087075 /nfs/dbraw/zinc/08/70/75/495087075.db2.gz GQLKQQXKJAISCM-SZPZYZBQSA-N 2 0 364.622 3.133 20 0 FGADRP Cc1ccc([C@H](CNC(=O)NCC[NH+](C(C)C)C(C)C)[NH+]2CCCC2)o1 ZINC000102039018 495117393 /nfs/dbraw/zinc/11/73/93/495117393.db2.gz BLCCIXTZDKZEFL-SFHVURJKSA-N 2 0 364.534 3.143 20 0 FGADRP CCC[N@H+](CC[C@@H]1CCC[NH+]1C)C1CCN(c2cc(C)nc(C)n2)CC1 ZINC000128569822 495117602 /nfs/dbraw/zinc/11/76/02/495117602.db2.gz UORZRWZTXJEVKP-IBGZPJMESA-N 2 0 359.562 3.259 20 0 FGADRP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC[C@@H](C)Cn2ccnc2C)C1 ZINC000111847391 495120167 /nfs/dbraw/zinc/12/01/67/495120167.db2.gz FATMIALSCXDFQC-AEFFLSMTSA-N 2 0 363.550 3.027 20 0 FGADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)N[C@H](C[NH3+])c1ccc2ccccc2c1 ZINC000577604944 505763269 /nfs/dbraw/zinc/76/32/69/505763269.db2.gz KQWRUEBZQGVZKS-VQTJNVASSA-N 2 0 354.498 3.013 20 0 FGADRP Cc1ccc(C[N@H+]2CC[C@H](CN(C)C(=O)CCCC[NH+](C)C)C2)s1 ZINC000580455382 505763499 /nfs/dbraw/zinc/76/34/99/505763499.db2.gz DNHAFEXSLVIMBP-QGZVFWFLSA-N 2 0 351.560 3.069 20 0 FGADRP CC[NH+](CC)Cc1cccc(CNC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)c1 ZINC000119388519 495157125 /nfs/dbraw/zinc/15/71/25/495157125.db2.gz KQZFORWEXUIHTA-KRWDZBQOSA-N 2 0 362.562 3.304 20 0 FGADRP C[NH+](C)CCCC1CC[NH+](CC(=O)N2CCC[C@H]2c2cccs2)CC1 ZINC000123601282 495158632 /nfs/dbraw/zinc/15/86/32/495158632.db2.gz LJPVUQTUHKKKMU-SFHVURJKSA-N 2 0 363.571 3.465 20 0 FGADRP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH2+][C@@H]4[C@@H]5CCO[C@@H]5C45CCC5)[C@@H]3C2)cc1 ZINC000134793624 495201777 /nfs/dbraw/zinc/20/17/77/495201777.db2.gz MJQPIFTUYSZUNZ-ZEOIANDVSA-N 2 0 352.522 3.444 20 0 FGADRP C[C@H]1CCCCN1C(=O)C[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000103227969 495205670 /nfs/dbraw/zinc/20/56/70/495205670.db2.gz XIOMACXBVFHBQE-IBGZPJMESA-N 2 0 357.542 3.231 20 0 FGADRP C[C@H](C[NH+]1CCCCC1)NC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000103305525 495216710 /nfs/dbraw/zinc/21/67/10/495216710.db2.gz SZNGRIMQVAHDES-UXHICEINSA-N 2 0 364.578 3.158 20 0 FGADRP C[NH+]1CCN(c2cc(C[NH2+][C@@H]3CCC[C@H](C(F)(F)F)C3)ccn2)CC1 ZINC000129311655 495226992 /nfs/dbraw/zinc/22/69/92/495226992.db2.gz FQTBKPVJXLZION-JKSUJKDBSA-N 2 0 356.436 3.044 20 0 FGADRP Cc1ccc([C@@H](CNC(=O)N(C)CC2CC[NH+](C)CC2)[NH+]2CCCC2)cc1 ZINC000103612747 495249769 /nfs/dbraw/zinc/24/97/69/495249769.db2.gz KZFXAAOAJZFLKW-OAQYLSRUSA-N 2 0 372.557 3.115 20 0 FGADRP C[C@H](CNC(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1)C[NH+]1CCCC1 ZINC000113597892 495319215 /nfs/dbraw/zinc/31/92/15/495319215.db2.gz PHSMMPIDELJDDG-LJQANCHMSA-N 2 0 372.557 3.024 20 0 FGADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)NCCC1CC[NH+](C)CC1)c1ccccc1 ZINC000113615064 495321246 /nfs/dbraw/zinc/32/12/46/495321246.db2.gz LCRQPTSCVJKAFJ-QGZVFWFLSA-N 2 0 360.546 3.147 20 0 FGADRP C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)N3CCC[C@H]([NH+](C)C)C3)cc2)C1 ZINC000105113299 495337786 /nfs/dbraw/zinc/33/77/86/495337786.db2.gz KADRFQKNWLKDDA-NQIIRXRSSA-N 2 0 372.557 3.154 20 0 FGADRP COc1cc([C@@H](C)[NH2+][C@@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)ccn1 ZINC000568778392 505775570 /nfs/dbraw/zinc/77/55/70/505775570.db2.gz DQRRXHAPFIGTEW-CVEARBPZSA-N 2 0 372.488 3.393 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H]2C[C@H](C)[NH+](Cc3ccccc3)C2)[C@H](C)C1 ZINC000130099684 495341408 /nfs/dbraw/zinc/34/14/08/495341408.db2.gz YCVQAFIPGHDENG-JYRKZWEQSA-N 2 0 372.557 3.021 20 0 FGADRP COc1ccc(OCc2ccccn2)c(C[NH2+]CCC2CC[NH+](C)CC2)c1 ZINC000105454384 495364611 /nfs/dbraw/zinc/36/46/11/495364611.db2.gz LWHAVACYIXFTDG-UHFFFAOYSA-N 2 0 369.509 3.491 20 0 FGADRP CC[C@H](Cc1ccccc1)[N@H+](CC)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000120531996 495399328 /nfs/dbraw/zinc/39/93/28/495399328.db2.gz NBIMJWIDBLZUCN-HXUWFJFHSA-N 2 0 357.542 3.073 20 0 FGADRP C[NH+](C)CC1CCC(NC(=O)NC2CC[NH+](C3CCCCC3)CC2)CC1 ZINC000125170769 495401445 /nfs/dbraw/zinc/40/14/45/495401445.db2.gz SHYSJVYDFANXDW-UHFFFAOYSA-N 2 0 364.578 3.203 20 0 FGADRP CC[C@@H]([NH2+]CCCC[NH+]1CCN(c2cccc(C)c2)CC1)[C@H]1CCOC1 ZINC000125334893 495427587 /nfs/dbraw/zinc/42/75/87/495427587.db2.gz GMXHKNTZKKVFQB-RBBKRZOGSA-N 2 0 359.558 3.302 20 0 FGADRP CCC[NH+]1CCC(N(C)C(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000114834546 495433719 /nfs/dbraw/zinc/43/37/19/495433719.db2.gz CZWXUMCIUYIBRJ-OAQYLSRUSA-N 2 0 372.557 3.167 20 0 FGADRP C[C@H]1C[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C[N@@H+]1Cc1ccccc1 ZINC000137465347 495441484 /nfs/dbraw/zinc/44/14/84/495441484.db2.gz RIJVMZWNTDOBGM-LAUBAEHRSA-N 2 0 351.494 3.141 20 0 FGADRP C[C@@H]([NH2+]CCC[N@H+](C)C1CCCCC1)c1ccc(NS(C)(=O)=O)cc1 ZINC000120767948 495453879 /nfs/dbraw/zinc/45/38/79/495453879.db2.gz KUNYNFKNUMOIJX-MRXNPFEDSA-N 2 0 367.559 3.363 20 0 FGADRP COc1ccc([C@H](C)[NH2+]C[C@H](C)CN2CC[NH+](C)CC2)c2ccccc12 ZINC000120864711 495474090 /nfs/dbraw/zinc/47/40/90/495474090.db2.gz SLWPNITZQBRYCG-ROUUACIJSA-N 2 0 355.526 3.383 20 0 FGADRP C[C@H](C[NH2+][C@@H](C)c1ccc(F)cc1Br)CN1CC[NH+](C)CC1 ZINC000120871388 495474811 /nfs/dbraw/zinc/47/48/11/495474811.db2.gz LVMOEYZHUUCPHQ-KGLIPLIRSA-N 2 0 372.326 3.122 20 0 FGADRP Cc1ccc([C@@H](CNC(=O)NC[C@H]2CC[N@@H+](C(C)C)C2)[NH+]2CCCC2)cc1 ZINC000139782588 495483575 /nfs/dbraw/zinc/48/35/75/495483575.db2.gz MJBSHQZUABIRON-TZIWHRDSSA-N 2 0 372.557 3.161 20 0 FGADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N2CCC([NH2+]C3CCCC3)CC2)C1 ZINC000131112148 495493752 /nfs/dbraw/zinc/49/37/52/495493752.db2.gz RJVRXGVQPQCUOB-GOSISDBHSA-N 2 0 364.578 3.061 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H](NCCC[NH+]2C[C@H](C)C[C@H](C)C2)[C@H](C)C1 ZINC000158653738 495559723 /nfs/dbraw/zinc/55/97/23/495559723.db2.gz AHOYPXWUOMNVDH-MHTWAQMVSA-N 2 0 353.595 3.081 20 0 FGADRP CC[NH+]1CCN(CCC[NH2+][C@@H](C)[C@H](C)c2nc3ccccc3s2)CC1 ZINC000154275372 495564395 /nfs/dbraw/zinc/56/43/95/495564395.db2.gz WEPWYLMPTMBDRG-IRXDYDNUSA-N 2 0 360.571 3.406 20 0 FGADRP CC[NH+]1CCN(CCC[NH2+][C@H](C)c2ccc(SC)c(OC)c2)CC1 ZINC000154302855 495573802 /nfs/dbraw/zinc/57/38/02/495573802.db2.gz AOMYMMVJADNYCN-MRXNPFEDSA-N 2 0 351.560 3.095 20 0 FGADRP C[C@@H]([NH2+]CCCC[NH+]1CCN(C)CC1)c1ccc(OC(F)(F)F)cc1 ZINC000154438054 495616071 /nfs/dbraw/zinc/61/60/71/495616071.db2.gz QJXQNEKDLGINMC-OAHLLOKOSA-N 2 0 359.436 3.263 20 0 FGADRP CC[NH+](CC)CCCC1CCN(C(=O)N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)CC1 ZINC000182588536 495626691 /nfs/dbraw/zinc/62/66/91/495626691.db2.gz PPRKSXJSNIDZRC-HKUYNNGSSA-N 2 0 364.578 3.155 20 0 FGADRP CC[C@@H]([NH2+]C1CC[NH+](CCCOC)CC1)c1ccc(OC)c(OC)c1 ZINC000159113797 495661192 /nfs/dbraw/zinc/66/11/92/495661192.db2.gz WKFLCKKTFOVFRU-GOSISDBHSA-N 2 0 350.503 3.245 20 0 FGADRP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCC[NH+](C)C1CCCC1 ZINC000176476390 495663961 /nfs/dbraw/zinc/66/39/61/495663961.db2.gz ZZAPYLKNRNUJJR-FQEVSTJZSA-N 2 0 372.557 3.024 20 0 FGADRP C[C@H]([NH2+]C[C@H](O)COc1ccc(Cl)cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185662516 495667648 /nfs/dbraw/zinc/66/76/48/495667648.db2.gz HPHGWECGPKZWOY-FCEWJHQRSA-N 2 0 366.933 3.322 20 0 FGADRP C[NH+]1CCN(c2cc(C[NH2+][C@@H]3CCSc4ccccc43)ccn2)CC1 ZINC000159144156 495669425 /nfs/dbraw/zinc/66/94/25/495669425.db2.gz RJBPKCNKSVSZBM-GOSISDBHSA-N 2 0 354.523 3.160 20 0 FGADRP C[NH+](C)CCC1CCN(C(=O)NC2CC[NH+](C3CCCCC3)CC2)CC1 ZINC000176499618 495674506 /nfs/dbraw/zinc/67/45/06/495674506.db2.gz NEPFJXQWTPZRFN-UHFFFAOYSA-N 2 0 364.578 3.157 20 0 FGADRP CCC[NH+]1CCC(N(C)C(=O)NC2CC[NH+](C3CCCCC3)CC2)CC1 ZINC000176499259 495674729 /nfs/dbraw/zinc/67/47/29/495674729.db2.gz TZFUTGWJRPSONL-UHFFFAOYSA-N 2 0 364.578 3.299 20 0 FGADRP CC[NH+](CC)CCCC1CC[NH+](CC(=O)N2CCc3ccccc3C2)CC1 ZINC000182755879 495689785 /nfs/dbraw/zinc/68/97/85/495689785.db2.gz NCECDEVBPSKQDF-UHFFFAOYSA-N 2 0 371.569 3.405 20 0 FGADRP COC[C@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1cccc(C(F)(F)F)c1 ZINC000150980781 495701119 /nfs/dbraw/zinc/70/11/19/495701119.db2.gz KJSBCEAKEFVMOB-SFHVURJKSA-N 2 0 373.463 3.009 20 0 FGADRP C[C@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1nc(-c2ccccc2)cs1 ZINC000150995716 495705171 /nfs/dbraw/zinc/70/51/71/495705171.db2.gz ARJJCTXGQALKLJ-INIZCTEOSA-N 2 0 358.555 3.487 20 0 FGADRP CC[NH+](CC)CCCNC(=O)C1CC[NH+](Cc2c(C)cccc2C)CC1 ZINC000151003720 495709282 /nfs/dbraw/zinc/70/92/82/495709282.db2.gz NNMHMXCKGWALMR-UHFFFAOYSA-N 2 0 359.558 3.364 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1)Cc1ccccc1 ZINC000173827856 495710210 /nfs/dbraw/zinc/71/02/10/495710210.db2.gz KCJBFWJDCRQLKO-GIVPXCGWSA-N 2 0 374.573 3.064 20 0 FGADRP C[C@H]([NH2+]Cc1ccc(N2CCCC2)nc1)c1cccc(OCC[NH+](C)C)c1 ZINC000151039934 495719125 /nfs/dbraw/zinc/71/91/25/495719125.db2.gz OCAYHLBLTLUMPO-SFHVURJKSA-N 2 0 368.525 3.473 20 0 FGADRP CC1CC[NH+](C[C@@H]2CCCN(CC(=O)N(C)Cc3cccs3)C2)CC1 ZINC000154759069 495719156 /nfs/dbraw/zinc/71/91/56/495719156.db2.gz ASZDMNNMTWTDFE-SFHVURJKSA-N 2 0 363.571 3.150 20 0 FGADRP C[C@H]([NH2+]C(C)(C)CNC(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21)c1ccccc1 ZINC000182872649 495736228 /nfs/dbraw/zinc/73/62/28/495736228.db2.gz BNKZYXLSHOGREO-SXLOBPIMSA-N 2 0 372.557 3.242 20 0 FGADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1ccc(Cl)c(C(F)(F)F)c1 ZINC000185873714 495759565 /nfs/dbraw/zinc/75/95/65/495759565.db2.gz XCVHNGIUJDBTII-CYBMUJFWSA-N 2 0 363.855 3.474 20 0 FGADRP C[N@H+](CC[C@@H]1CCCC[NH+]1C)C[C@H](O)COCc1ccccc1Cl ZINC000173951822 495760809 /nfs/dbraw/zinc/76/08/09/495760809.db2.gz AGWAWJFMOIBQAP-ROUUACIJSA-N 2 0 354.922 3.024 20 0 FGADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1ccc(SCC(F)F)cc1 ZINC000154902438 495767279 /nfs/dbraw/zinc/76/72/79/495767279.db2.gz NIACRHOZXNLLHQ-GJZGRUSLSA-N 2 0 357.514 3.330 20 0 FGADRP C[NH+]1CCN(CCC(C)(C)[NH2+]Cc2cnc(C3CCCC3)s2)CC1 ZINC000185896808 495770573 /nfs/dbraw/zinc/77/05/73/495770573.db2.gz PNEIOEHOASORMW-UHFFFAOYSA-N 2 0 350.576 3.306 20 0 FGADRP C[NH+]1CCN(CCC(C)(C)[NH2+]Cc2ccc(F)c(Br)c2)CC1 ZINC000185897415 495771359 /nfs/dbraw/zinc/77/13/59/495771359.db2.gz IMIARTJTHWTMPC-UHFFFAOYSA-N 2 0 372.326 3.094 20 0 FGADRP Cc1cccc(NC(=O)C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)c1C ZINC000182975158 495781586 /nfs/dbraw/zinc/78/15/86/495781586.db2.gz GDEZQPNNZJFLTF-UHFFFAOYSA-N 2 0 373.541 3.066 20 0 FGADRP CC[NH+](CC)CCNC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000154971787 495789073 /nfs/dbraw/zinc/78/90/73/495789073.db2.gz VUHSUMJQWWJYQH-QUCCMNQESA-N 2 0 360.546 3.023 20 0 FGADRP COc1cc(-c2ccccc2)ccc1C[NH2+]CC1CC[NH+](CCO)CC1 ZINC000183059199 495818257 /nfs/dbraw/zinc/81/82/57/495818257.db2.gz UCDAQXDVJDLPOH-UHFFFAOYSA-N 2 0 354.494 3.156 20 0 FGADRP CCC[NH+]1CCC([N@H+](C)CCC(=O)NCc2ccccc2Cl)CC1 ZINC000177050975 495902230 /nfs/dbraw/zinc/90/22/30/495902230.db2.gz CEDURLBDZLERRW-UHFFFAOYSA-N 2 0 351.922 3.153 20 0 FGADRP COc1ccc(C(=O)C2CC[NH+](Cc3ccc4c(c3)C[NH2+]CC4)CC2)cc1 ZINC000571769337 505811732 /nfs/dbraw/zinc/81/17/32/505811732.db2.gz VAZLGRCAMCKLAQ-UHFFFAOYSA-N 2 0 364.489 3.436 20 0 FGADRP O=C(NCc1ccc(C[NH+]2CCCC2)cc1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000171596621 495942214 /nfs/dbraw/zinc/94/22/14/495942214.db2.gz FSGMNTGNMUHKPE-NRFANRHFSA-N 2 0 370.541 3.052 20 0 FGADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000171613066 495947781 /nfs/dbraw/zinc/94/77/81/495947781.db2.gz WTTWNACDGUMOKM-NRFANRHFSA-N 2 0 372.557 3.297 20 0 FGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@H](c2ccccc2)c2ccccn2)CC1 ZINC000180440422 495997065 /nfs/dbraw/zinc/99/70/65/495997065.db2.gz OEPKECOMJNEINA-SIKLNZKXSA-N 2 0 352.526 3.034 20 0 FGADRP CN(C)c1cc[nH+]cc1C(=O)N1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000183514743 496017819 /nfs/dbraw/zinc/01/78/19/496017819.db2.gz YJWYMAPUVNETPI-UHFFFAOYSA-N 2 0 366.509 3.132 20 0 FGADRP CCC[NH+]1CCN(c2ccccc2C[NH2+]CCc2c(C)noc2C)CC1 ZINC000152038283 496029434 /nfs/dbraw/zinc/02/94/34/496029434.db2.gz RDXOHJRJBNCQRV-UHFFFAOYSA-N 2 0 356.514 3.156 20 0 FGADRP C[C@@H]1C[C@H](NC(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)CC[NH2+]1 ZINC000580703977 505818991 /nfs/dbraw/zinc/81/89/91/505818991.db2.gz YEYGBSFAGMXHIH-YLJYHZDGSA-N 2 0 358.530 3.002 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)C1CC[NH+](C(C)C)CC1)c1ccsc1 ZINC000174625990 496037343 /nfs/dbraw/zinc/03/73/43/496037343.db2.gz NHGRETMXZFTLOV-GOSISDBHSA-N 2 0 351.560 3.368 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)[C@@H]([NH3+])C1CCC1)c1ccc(C(F)(F)F)cc1 ZINC000580711938 505820816 /nfs/dbraw/zinc/82/08/16/505820816.db2.gz RAHKRICDPGLTBF-SJORKVTESA-N 2 0 371.447 3.332 20 0 FGADRP [NH3+]C1(CNC(=O)[C@@H]2CCCC[C@H]2C2CC2)CC[NH+](Cc2ccccc2)CC1 ZINC000577953907 505826757 /nfs/dbraw/zinc/82/67/57/505826757.db2.gz NVSGFDZCDHBWKE-LEWJYISDSA-N 2 0 369.553 3.313 20 0 FGADRP C[C@@H](c1cccc(Br)c1)[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000180931830 496204981 /nfs/dbraw/zinc/20/49/81/496204981.db2.gz XVFMVMVBTKELHM-HNNXBMFYSA-N 2 0 368.363 3.468 20 0 FGADRP CN(CC[N@H+](C)CCOc1cccc2ccccc21)C1CC[NH+](C)CC1 ZINC000180940779 496209925 /nfs/dbraw/zinc/20/99/25/496209925.db2.gz MDZTZXZPTAPYIC-UHFFFAOYSA-N 2 0 355.526 3.176 20 0 FGADRP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)NCCC[NH+]2CCCCC2)C1 ZINC000172220698 496214437 /nfs/dbraw/zinc/21/44/37/496214437.db2.gz IGICMKPWJFRZLM-PMACEKPBSA-N 2 0 364.578 3.158 20 0 FGADRP CC(C)[C@H](Cc1ccccc1)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000186977914 496237158 /nfs/dbraw/zinc/23/71/58/496237158.db2.gz RWMMBHDTIRQVCO-NRFANRHFSA-N 2 0 352.526 3.190 20 0 FGADRP C[NH+](C)Cc1cccc(C(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)c1 ZINC000156516537 496266123 /nfs/dbraw/zinc/26/61/23/496266123.db2.gz VKDABNFMWMWQCS-NRFANRHFSA-N 2 0 351.494 3.143 20 0 FGADRP COc1ccc([C@@H](Cc2ccccc2)NC[C@H](O)C[N@H+](C)C2CC2)cc1 ZINC000577989920 505835096 /nfs/dbraw/zinc/83/50/96/505835096.db2.gz YUFVWPJIVFNMST-RBBKRZOGSA-N 2 0 354.494 3.024 20 0 FGADRP C[NH+](C)CC1CCC([NH2+]C[C@H](O)COc2ccc(C(C)(C)C)cc2)CC1 ZINC000574684654 505831257 /nfs/dbraw/zinc/83/12/57/505831257.db2.gz QEUUQCNZERSMPT-UUKMXZOPSA-N 2 0 362.558 3.434 20 0 FGADRP C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)N2CCC[N@@H+](C3CCCC3)CC2)C1 ZINC000172542547 496335317 /nfs/dbraw/zinc/33/53/17/496335317.db2.gz HQVZQXCZISVYLE-OALUTQOASA-N 2 0 364.578 3.014 20 0 FGADRP C[C@@H]([NH2+]CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)c1ccccc1 ZINC000181345250 496360227 /nfs/dbraw/zinc/36/02/27/496360227.db2.gz FKQSGKQLZOVWGN-GOSISDBHSA-N 2 0 351.494 3.249 20 0 FGADRP C[NH+]1CCN(CCC[NH2+][C@@H]2CCCSc3ccc(Cl)cc32)CC1 ZINC000162542579 496370205 /nfs/dbraw/zinc/37/02/05/496370205.db2.gz MVRQQEAVFMGUSP-QGZVFWFLSA-N 2 0 353.963 3.494 20 0 FGADRP C[C@H]1C[C@H](N(C)CC(=O)N(C)Cc2ccco2)CC[N@@H+]1Cc1ccccc1 ZINC000157078843 496400811 /nfs/dbraw/zinc/40/08/11/496400811.db2.gz NGFGKWZDPDIGKS-AZUAARDMSA-N 2 0 369.509 3.223 20 0 FGADRP FC(F)(F)CN1CCC([NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000162904550 496431965 /nfs/dbraw/zinc/43/19/65/496431965.db2.gz KMJLEWWSOIFGKL-UHFFFAOYSA-N 2 0 355.448 3.399 20 0 FGADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@@H](C[NH+](C)Cc2ccccc2)C(C)C)C1 ZINC000187478206 496458102 /nfs/dbraw/zinc/45/81/02/496458102.db2.gz VJZUVCGRUWAYAB-SFTDATJTSA-N 2 0 374.573 3.126 20 0 FGADRP CCC[NH+]1CCC(NC(=O)NC[C@@]2(C)CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000153599733 496513729 /nfs/dbraw/zinc/51/37/29/496513729.db2.gz ASHBPTFCKHWIIW-JOCHJYFZSA-N 2 0 372.557 3.215 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC2(c3ccccc3)CCOCC2)[C@H](C)C1 ZINC000153602907 496514811 /nfs/dbraw/zinc/51/48/11/496514811.db2.gz IWXMGZYSTAQFTE-IRLDBZIGSA-N 2 0 374.569 3.461 20 0 FGADRP C[C@@H]([NH2+]Cc1ccc(C[NH3+])cc1)c1ccc(OCc2nccn2C)cc1 ZINC000574757348 505848808 /nfs/dbraw/zinc/84/88/08/505848808.db2.gz CRKLVLALZUQELJ-MRXNPFEDSA-N 2 0 350.466 3.309 20 0 FGADRP CCC[N@@H+]1CCCN(C(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000163525302 496528359 /nfs/dbraw/zinc/52/83/59/496528359.db2.gz UWJDTADJKPOMFV-UHFFFAOYSA-N 2 0 357.542 3.233 20 0 FGADRP CC[NH+](CC)Cc1cccc(CNC(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)c1 ZINC000175749482 496528583 /nfs/dbraw/zinc/52/85/83/496528583.db2.gz UDKLJWMBJZJHMM-UXHICEINSA-N 2 0 360.546 3.200 20 0 FGADRP CC1CC[NH+]([C@H](CNC(=O)[C@@H](C[NH3+])c2ccccc2)c2cccs2)CC1 ZINC000178660565 496531918 /nfs/dbraw/zinc/53/19/18/496531918.db2.gz AQQMDQFOPPFYBZ-RBUKOAKNSA-N 2 0 371.550 3.380 20 0 FGADRP C[C@H](C(=O)NCc1ccccc1C[NH+]1CCCC1)[C@@H]([NH3+])c1ccccc1 ZINC000178670593 496535335 /nfs/dbraw/zinc/53/53/35/496535335.db2.gz IOIVRKYFQHQPTR-LAUBAEHRSA-N 2 0 351.494 3.235 20 0 FGADRP CC(C)CC[NH+]1CCC(C[NH2+][C@H](C)Cn2cc(Br)cn2)CC1 ZINC000163586123 496535595 /nfs/dbraw/zinc/53/55/95/496535595.db2.gz NVMVEFKLSOGZTQ-OAHLLOKOSA-N 2 0 371.367 3.382 20 0 FGADRP CC(C)CC[NH+]1CCC(C[NH2+][C@@H](C)c2ccc(-n3cnnn3)cc2)CC1 ZINC000163596470 496536438 /nfs/dbraw/zinc/53/64/38/496536438.db2.gz DHRJYTUTSDKLJY-KRWDZBQOSA-N 2 0 356.518 3.071 20 0 FGADRP C[C@@H](Cn1cc(Br)cn1)[NH2+]CCCC[N@@H+]1CCCC[C@@H]1C ZINC000157873576 496574559 /nfs/dbraw/zinc/57/45/59/496574559.db2.gz MXJMMFNEGQEFFQ-GJZGRUSLSA-N 2 0 357.340 3.278 20 0 FGADRP C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)C[C@H]2CCC[NH2+]2)cc1 ZINC000569099880 505853265 /nfs/dbraw/zinc/85/32/65/505853265.db2.gz RBOAYUYFXNIGHQ-HXUWFJFHSA-N 2 0 351.494 3.174 20 0 FGADRP COc1ccc(C[NH+]2CCC(C[NH2+][C@@H](C)c3nccnc3C)CC2)cc1 ZINC000187893387 496610972 /nfs/dbraw/zinc/61/09/72/496610972.db2.gz ZQYOVUNQUNILIA-KRWDZBQOSA-N 2 0 354.498 3.356 20 0 FGADRP CCCC[NH+]1CCC([NH2+][C@H](C)c2ccc(NS(=O)(=O)CC)cc2)CC1 ZINC000164480222 496614478 /nfs/dbraw/zinc/61/44/78/496614478.db2.gz ILOPZZZFKDBUEE-MRXNPFEDSA-N 2 0 367.559 3.363 20 0 FGADRP CCC[NH+]1CCC([NH2+][C@@H]2CCN(c3ccc(Br)cc3)C2)CC1 ZINC000164722836 496628407 /nfs/dbraw/zinc/62/84/07/496628407.db2.gz WUIOSIASXMOYGI-QGZVFWFLSA-N 2 0 366.347 3.492 20 0 FGADRP C[C@@H]1CC[C@H]([NH2+]Cc2cccc(C[NH+]3CCCC3)c2)[C@H](n2cncn2)C1 ZINC000574790361 505855964 /nfs/dbraw/zinc/85/59/64/505855964.db2.gz IKXURRYRXYVVFZ-JRGCBEDISA-N 2 0 353.514 3.393 20 0 FGADRP C[C@@H](O)C[C@H]1CCC[N@@H+]1Cc1ccc(C[NH+]2CCC[C@H]2C[C@H](C)O)cc1 ZINC000179092922 496672307 /nfs/dbraw/zinc/67/23/07/496672307.db2.gz GDQRNDUHTJCVHH-VVIORFSUSA-N 2 0 360.542 3.157 20 0 FGADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H](C)c1ccc(OC)c(Br)c1 ZINC000165929271 496672852 /nfs/dbraw/zinc/67/28/52/496672852.db2.gz WWQCJXFSACWDQZ-ZFWWWQNUSA-N 2 0 373.335 3.465 20 0 FGADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)N[C@@H]2CC[NH+](C)[C@@H]2c2ccccc2)C1 ZINC000179122778 496681852 /nfs/dbraw/zinc/68/18/52/496681852.db2.gz UIOYKBPIZUYEPD-HMXCVIKNSA-N 2 0 372.557 3.243 20 0 FGADRP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)Nc1cccc(-c2nccn2C)c1 ZINC000176106607 496685364 /nfs/dbraw/zinc/68/53/64/496685364.db2.gz CSGKOFKJNMLOGS-GOSISDBHSA-N 2 0 355.486 3.425 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(F)c(C)c1 ZINC000176122906 496693922 /nfs/dbraw/zinc/69/39/22/496693922.db2.gz LFFPFDRHJSZGQB-KRWDZBQOSA-N 2 0 350.482 3.014 20 0 FGADRP C[C@H](CC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)[C@@H]1CCC[NH2+]C1 ZINC000167543815 496702196 /nfs/dbraw/zinc/70/21/96/496702196.db2.gz WOCNUTYVFFAQDK-VURPSTOHSA-N 2 0 357.542 3.182 20 0 FGADRP C[C@@H](C(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]([NH3+])c1ccccc1 ZINC000168706634 496711630 /nfs/dbraw/zinc/71/16/30/496711630.db2.gz ZVZSKLIPLNJNEK-CBQOVEMMSA-N 2 0 365.521 3.303 20 0 FGADRP CC(C)O[C@@H]1C[C@@H]([NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H]2CO)C1(C)C ZINC000185261991 496720018 /nfs/dbraw/zinc/72/00/18/496720018.db2.gz QVMQPKHDMIKSLX-NJDAHSKKSA-N 2 0 360.542 3.325 20 0 FGADRP O[C@H]1CC[N@H+](Cc2ccccc2C[NH2+][C@H]2CSCCc3ccccc32)C1 ZINC000182262747 496723051 /nfs/dbraw/zinc/72/30/51/496723051.db2.gz XCLNYNYZRHUAKE-UNMCSNQZSA-N 2 0 368.546 3.373 20 0 FGADRP COCCC[NH+]1CCC([NH2+]C[C@H](C)Cc2ccc(OC)c(F)c2)CC1 ZINC000185283840 496724367 /nfs/dbraw/zinc/72/43/67/496724367.db2.gz BHCPWGSRONRQNA-MRXNPFEDSA-N 2 0 352.494 3.103 20 0 FGADRP COCCC[NH+]1CCC([NH2+]C[C@@H](C)Cc2ccc(OC)c(F)c2)CC1 ZINC000185283822 496724434 /nfs/dbraw/zinc/72/44/34/496724434.db2.gz BHCPWGSRONRQNA-INIZCTEOSA-N 2 0 352.494 3.103 20 0 FGADRP CN(c1ccccc1CNCC1(C[NH+](C)C)CCCC1)C1CC[NH+](C)CC1 ZINC000185293185 496724945 /nfs/dbraw/zinc/72/49/45/496724945.db2.gz LSIGNUSTBPRQMA-UHFFFAOYSA-N 2 0 372.601 3.429 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1)c1ccsc1 ZINC000246987325 496743032 /nfs/dbraw/zinc/74/30/32/496743032.db2.gz KAVBJNBAUZAEBT-RCCFBDPRSA-N 2 0 366.575 3.303 20 0 FGADRP CC(C)[NH+]1CCN(CCC[N@H+](C)Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000191398557 496750504 /nfs/dbraw/zinc/75/05/04/496750504.db2.gz ZVXXADXYZJWAAZ-UHFFFAOYSA-N 2 0 373.463 3.433 20 0 FGADRP C[C@@H]1CCC[N@H+](CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)[C@H]1C ZINC000247085867 496775380 /nfs/dbraw/zinc/77/53/80/496775380.db2.gz XFKCAMIANUQWPH-SJORKVTESA-N 2 0 361.555 3.294 20 0 FGADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CCC[C@H]2c2cccc3c2OCCO3)CC1 ZINC000191476213 496775677 /nfs/dbraw/zinc/77/56/77/496775677.db2.gz QOXAVSDVJBVKTQ-FQEVSTJZSA-N 2 0 373.541 3.011 20 0 FGADRP CC[NH+](CC)CCCNC(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000247100982 496778285 /nfs/dbraw/zinc/77/82/85/496778285.db2.gz XECYZVMTUFEMCX-RTBURBONSA-N 2 0 352.567 3.014 20 0 FGADRP CCCCNC(=O)c1ccc(C[NH2+]C2CCN(c3ccccn3)CC2)cc1 ZINC000268835217 496799635 /nfs/dbraw/zinc/79/96/35/496799635.db2.gz PLLGQSQOXBPBMF-UHFFFAOYSA-N 2 0 366.509 3.370 20 0 FGADRP CC[NH+](CC)C[C@H]1CC[N@H+](CCC(=O)N[C@H]2CCCc3ccccc32)C1 ZINC000247214968 496807047 /nfs/dbraw/zinc/80/70/47/496807047.db2.gz COAKPZYJQALCCQ-NQIIRXRSSA-N 2 0 357.542 3.234 20 0 FGADRP CCC[N@@H+]1CC[C@H](CNC(=O)N2CCC[NH+](Cc3ccccc3)C[C@H]2C)C1 ZINC000247290465 496825856 /nfs/dbraw/zinc/82/58/56/496825856.db2.gz UISAKILLCBWWJK-TZIWHRDSSA-N 2 0 372.557 3.024 20 0 FGADRP C[NH+](C)Cc1c2ccccc2oc1C(=O)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000277644930 496839763 /nfs/dbraw/zinc/83/97/63/496839763.db2.gz YIJQUWMJYGIDQZ-MRXNPFEDSA-N 2 0 355.482 3.241 20 0 FGADRP C[C@@H]([NH2+]C[C@@H](CCO)c1ccccc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000268988775 496844065 /nfs/dbraw/zinc/84/40/65/496844065.db2.gz LWZDRVZLCLLJAQ-WIYYLYMNSA-N 2 0 356.510 3.444 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1)c1ccco1 ZINC000273580826 496845893 /nfs/dbraw/zinc/84/58/93/496845893.db2.gz KDFCAZLYWWSMFG-WMZOPIPTSA-N 2 0 364.534 3.034 20 0 FGADRP CC[C@H](C)[N@H+](C)CCNC(=O)NC[C@H]1CCC[NH+](C)[C@@H]1c1cccs1 ZINC000247486026 496870351 /nfs/dbraw/zinc/87/03/51/496870351.db2.gz VFCGRGHEOCGAOW-JZXOWHBKSA-N 2 0 366.575 3.161 20 0 FGADRP CCOCCC[N@@H+]1CC[C@@H](NCc2nc(C(F)(F)F)cs2)[C@@H](C)C1 ZINC000247942622 496930330 /nfs/dbraw/zinc/93/03/30/496930330.db2.gz DEDDCFKAONWRQV-QWHCGFSZSA-N 2 0 365.465 3.389 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H](NCc2nc(C(F)(F)F)cs2)[C@@H](C)C1 ZINC000247942624 496930565 /nfs/dbraw/zinc/93/05/65/496930565.db2.gz DEDDCFKAONWRQV-STQMWFEESA-N 2 0 365.465 3.389 20 0 FGADRP CCC1(CNC(=O)N[C@H](C)C[C@H](C)[NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000572034084 505874670 /nfs/dbraw/zinc/87/46/70/505874670.db2.gz XLTCMKLOBKNWGH-ZWKOTPCHSA-N 2 0 360.546 3.104 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc(-n3cncn3)cc2)[C@@H](C)C1 ZINC000248062707 496950033 /nfs/dbraw/zinc/95/00/33/496950033.db2.gz YXICMSRAEDNDKC-WFXMLNOXSA-N 2 0 371.529 3.055 20 0 FGADRP Cc1ccc([C@@H](CNC(=O)N[C@@H](C)C[NH+]2CCCCC2)[NH+]2CCCC2)cc1 ZINC000195746436 496964234 /nfs/dbraw/zinc/96/42/34/496964234.db2.gz AQEIPXCERJYYFD-PZJWPPBQSA-N 2 0 372.557 3.306 20 0 FGADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+][C@H]1CCCN(Cc2c(F)cccc2F)C1 ZINC000248180229 496968889 /nfs/dbraw/zinc/96/88/89/496968889.db2.gz WGXKRQGWANSGGQ-DICRZQGBSA-N 2 0 351.485 3.248 20 0 FGADRP Cc1ccccc1OCCC[NH+]1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000269635117 496981050 /nfs/dbraw/zinc/98/10/50/496981050.db2.gz IQTADFIYNJKDTC-UHFFFAOYSA-N 2 0 359.558 3.254 20 0 FGADRP CC(C)[NH+]1CCC(N2CC[NH+](CCCOc3ccc(F)cc3)CC2)CC1 ZINC000269647073 496983044 /nfs/dbraw/zinc/98/30/44/496983044.db2.gz LHOWLSIKVQPLIA-UHFFFAOYSA-N 2 0 363.521 3.085 20 0 FGADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)NCC2(C)CC[NH2+]CC2)cc1 ZINC000578171300 505877786 /nfs/dbraw/zinc/87/77/86/505877786.db2.gz ZPXMKKVXTGAIMM-SFHVURJKSA-N 2 0 372.557 3.250 20 0 FGADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N[C@@H](C)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000248393901 496992570 /nfs/dbraw/zinc/99/25/70/496992570.db2.gz FEPDYGVGYXKXEY-XWSJACJDSA-N 2 0 364.578 3.059 20 0 FGADRP Cc1nn(C)c(C)c1C[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000248405052 496998588 /nfs/dbraw/zinc/99/85/88/496998588.db2.gz QXGPTDTUSTVUDG-KSEOMHKRSA-N 2 0 352.526 3.427 20 0 FGADRP CC(C)C(=O)NCCC[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000248407629 496999388 /nfs/dbraw/zinc/99/93/88/496999388.db2.gz UNJUPVGWFATFQQ-PWRODBHTSA-N 2 0 357.542 3.039 20 0 FGADRP COc1cc(Br)ccc1CN1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000248456515 497017101 /nfs/dbraw/zinc/01/71/01/497017101.db2.gz SHYNYUBAQHMQRI-CZUORRHYSA-N 2 0 353.304 3.374 20 0 FGADRP COc1ccc(OC)c([C@@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CC[C@@H](O)C2)c1 ZINC000248459045 497018878 /nfs/dbraw/zinc/01/88/78/497018878.db2.gz VHWWHPVRSBWOKM-VQIMIIECSA-N 2 0 370.493 3.121 20 0 FGADRP Cc1ccc(OC[C@H](O)C[NH2+][C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c(C)c1 ZINC000248553674 497037079 /nfs/dbraw/zinc/03/70/79/497037079.db2.gz HMQGZNANVSNICT-SVFBPWRDSA-N 2 0 360.542 3.286 20 0 FGADRP CC(C)CN(C(=O)C1CC[NH+](Cc2ccccc2)CC1)C1CC[NH+](C)CC1 ZINC000265101281 497048126 /nfs/dbraw/zinc/04/81/26/497048126.db2.gz HOBLGKXIAIECOI-UHFFFAOYSA-N 2 0 371.569 3.477 20 0 FGADRP C[C@H](C(=O)Nc1ccccc1C(F)(F)F)[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000569222081 505882364 /nfs/dbraw/zinc/88/23/64/505882364.db2.gz LXVCPLOJPQYHNF-UKRRQHHQSA-N 2 0 369.431 3.354 20 0 FGADRP CC(C)[C@H](CNC(=O)C[C@H]([NH3+])c1ccccc1)[N@@H+]1CCc2ccccc2C1 ZINC000236660272 497128473 /nfs/dbraw/zinc/12/84/73/497128473.db2.gz RLOASTBZRFSCAT-VXKWHMMOSA-N 2 0 365.521 3.276 20 0 FGADRP COc1cccc2c1CC[C@H]([NH2+][C@@H]1CCN(Cc3ccccn3)C[C@H]1C)C2 ZINC000248943797 497138109 /nfs/dbraw/zinc/13/81/09/497138109.db2.gz AEPKDQFXPKMWIR-ZWCUEREDSA-N 2 0 365.521 3.448 20 0 FGADRP Cc1cccc(OC[C@H](O)C[NH2+][C@@H]2CCN(C)[C@@H](c3ccccc3)C2)c1 ZINC000569242987 505887780 /nfs/dbraw/zinc/88/77/80/505887780.db2.gz FVTPIUMUYVYPAF-KCZVDYSFSA-N 2 0 354.494 3.160 20 0 FGADRP C[C@@H]([NH2+]CCc1cn2c(n1)SCC2)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274763083 497160044 /nfs/dbraw/zinc/16/00/44/497160044.db2.gz KQRDDBCHZZVSJI-SJLPKXTDSA-N 2 0 356.539 3.032 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)C[C@H](C)[C@@H]1CCC[NH2+]C1)Cc1ccccc1 ZINC000236877687 497161251 /nfs/dbraw/zinc/16/12/51/497161251.db2.gz YXWSCZMSYNEZDI-TYPHKJRUSA-N 2 0 359.558 3.082 20 0 FGADRP CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)c1ccc(C[NH3+])cc1 ZINC000236898692 497164820 /nfs/dbraw/zinc/16/48/20/497164820.db2.gz FWQQSRVWFBNFAI-UHFFFAOYSA-N 2 0 365.481 3.089 20 0 FGADRP CC(C)C(=O)N1CCC([NH2+][C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000274904690 497195869 /nfs/dbraw/zinc/19/58/69/497195869.db2.gz LYCATWSQHTVCOE-AZUAARDMSA-N 2 0 357.542 3.134 20 0 FGADRP CC(C)C(=O)N1CCC([NH2+][C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000274904696 497196569 /nfs/dbraw/zinc/19/65/69/497196569.db2.gz LYCATWSQHTVCOE-UYAOXDASSA-N 2 0 357.542 3.134 20 0 FGADRP C[NH2+]Cc1ccccc1NC(=O)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000237158571 497197760 /nfs/dbraw/zinc/19/77/60/497197760.db2.gz HCGYOFSBHPWCMU-SFHVURJKSA-N 2 0 355.457 3.396 20 0 FGADRP CCS[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000249483740 497210002 /nfs/dbraw/zinc/21/00/02/497210002.db2.gz TZGUFWCPTGKKAR-IPMKNSEASA-N 2 0 363.571 3.059 20 0 FGADRP CCC[C@H]1CN(C(=O)C2CC[NH+](C3CC3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000192808975 497219773 /nfs/dbraw/zinc/21/97/73/497219773.db2.gz CMZRNXPWVRNOSG-QFIPXVFZSA-N 2 0 369.553 3.374 20 0 FGADRP CC(C)[NH+]1CCN(C2CC[NH+](Cc3ccc(OC(F)F)cc3)CC2)CC1 ZINC000270885133 497220492 /nfs/dbraw/zinc/22/04/92/497220492.db2.gz KQMMWGSSXPBVHV-UHFFFAOYSA-N 2 0 367.484 3.278 20 0 FGADRP C[C@@H](CC(=O)N1CC[N@H+](Cc2ccccc2)C(C)(C)C1)C1CC[NH2+]CC1 ZINC000237365670 497226942 /nfs/dbraw/zinc/22/69/42/497226942.db2.gz VLVNMARITNZPMH-SFHVURJKSA-N 2 0 357.542 3.135 20 0 FGADRP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)C2(c3ccccc3)CC[NH2+]CC2)C1 ZINC000237459579 497240247 /nfs/dbraw/zinc/24/02/47/497240247.db2.gz RLBMOKUKTLQYHW-WOJBJXKFSA-N 2 0 371.569 3.182 20 0 FGADRP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)C[C@H]([NH3+])c2ccccc2)CC1 ZINC000237481351 497243564 /nfs/dbraw/zinc/24/35/64/497243564.db2.gz YTVALSUGNPLEQN-UWJYYQICSA-N 2 0 351.494 3.418 20 0 FGADRP COc1cc(C[NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)cc2c1OCCO2 ZINC000192933721 497251148 /nfs/dbraw/zinc/25/11/48/497251148.db2.gz HXZHKRMPWGAYMD-GOSISDBHSA-N 2 0 368.477 3.078 20 0 FGADRP Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)CCC1CC[NH2+]CC1 ZINC000237608704 497262601 /nfs/dbraw/zinc/26/26/01/497262601.db2.gz WSUCPXLUGLBUMV-UHFFFAOYSA-N 2 0 361.555 3.262 20 0 FGADRP CC[NH+](CC)Cc1ccc(C(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)cc1 ZINC000266167415 497272221 /nfs/dbraw/zinc/27/22/21/497272221.db2.gz QEEKQSDOJVQKET-FQEVSTJZSA-N 2 0 357.542 3.476 20 0 FGADRP [NH3+][C@@H](C(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)c1ccccc1 ZINC000237811178 497295934 /nfs/dbraw/zinc/29/59/34/497295934.db2.gz WTLIDMIOAQGMPZ-LJQANCHMSA-N 2 0 357.885 3.121 20 0 FGADRP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000252202310 497297685 /nfs/dbraw/zinc/29/76/85/497297685.db2.gz WMWOMEOCHMCJTL-VVLHAWIVSA-N 2 0 366.575 3.016 20 0 FGADRP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000253191035 497323969 /nfs/dbraw/zinc/32/39/69/497323969.db2.gz UEIVISDIPPNGHN-OALUTQOASA-N 2 0 372.557 3.154 20 0 FGADRP [NH3+][C@H](C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1)c1ccccc1 ZINC000238009973 497327023 /nfs/dbraw/zinc/32/70/23/497327023.db2.gz ILRSQLDIHWSLEE-FKBYEOEOSA-N 2 0 363.505 3.200 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCCc2ccc3c(c2)CCO3)[C@H](C)C1 ZINC000193293894 497342378 /nfs/dbraw/zinc/34/23/78/497342378.db2.gz KUXDWOJAVBJZHD-NQIIRXRSSA-N 2 0 360.542 3.281 20 0 FGADRP COc1cc(C)c([C@H](C)[NH2+]C2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)cc1OC ZINC000271500665 497364618 /nfs/dbraw/zinc/36/46/18/497364618.db2.gz LWAFRKYOADQCRJ-IPELMVKDSA-N 2 0 362.514 3.041 20 0 FGADRP C[NH+](C)[C@@H](CNC(=O)N1CCC(C[NH+]2CCCC2)CC1)C1CCCCC1 ZINC000193470888 497388805 /nfs/dbraw/zinc/38/88/05/497388805.db2.gz FKVPWMDOJICUAI-FQEVSTJZSA-N 2 0 364.578 3.014 20 0 FGADRP CCC[N@H+](CC)CCNC(=O)NC[C@@H]1CCC[NH+](C)[C@H]1c1cccs1 ZINC000245432057 497402502 /nfs/dbraw/zinc/40/25/02/497402502.db2.gz NQYNUFIGCJFZPZ-FUHWJXTLSA-N 2 0 366.575 3.162 20 0 FGADRP CCC[N@H+](C)C[C@@H]1CCN([C@H](C)C(=O)NC23CC4CC(CC(C4)C2)C3)C1 ZINC000245440543 497408635 /nfs/dbraw/zinc/40/86/35/497408635.db2.gz UPWWCINFVRNZQK-VTJJLDLQSA-N 2 0 361.574 3.124 20 0 FGADRP C[NH+](C)CCc1ccccc1NC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000275725316 497413595 /nfs/dbraw/zinc/41/35/95/497413595.db2.gz WOINCEDMPZZKEX-FQEVSTJZSA-N 2 0 366.509 3.187 20 0 FGADRP CN(C(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000261607228 497419183 /nfs/dbraw/zinc/41/91/83/497419183.db2.gz ROLSWYLQZKYVPU-GIVPXCGWSA-N 2 0 355.526 3.030 20 0 FGADRP CC[N@H+](C)C[C@@H]1CCN([C@H](C)C(=O)Nc2ccc(C(F)(F)F)cc2)C1 ZINC000245464372 497420044 /nfs/dbraw/zinc/42/00/44/497420044.db2.gz XXYYVRBEPAXPOB-KGLIPLIRSA-N 2 0 357.420 3.306 20 0 FGADRP O=C(CC[C@@H]1CC[NH2+]C1)NCCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000261690370 497433054 /nfs/dbraw/zinc/43/30/54/497433054.db2.gz BZFRCCXQKPGPDJ-JOCHJYFZSA-N 2 0 371.569 3.227 20 0 FGADRP C[NH+](C)Cc1c2ccccc2oc1C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000261886480 497468694 /nfs/dbraw/zinc/46/86/94/497468694.db2.gz ZDXHKAWXTZBRGG-PKOBYXMFSA-N 2 0 363.461 3.061 20 0 FGADRP C[NH+](C)Cc1ccc(C(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000193775751 497478034 /nfs/dbraw/zinc/47/80/34/497478034.db2.gz AZPAOPZMVWVYHV-FQEVSTJZSA-N 2 0 351.494 3.000 20 0 FGADRP C[N@H+]1CC=C(C[NH2+]C2CCN(Cc3c(F)cccc3Cl)CC2)CC1 ZINC000271913489 497485620 /nfs/dbraw/zinc/48/56/20/497485620.db2.gz YIRSAUKRQKXVMA-UHFFFAOYSA-N 2 0 351.897 3.295 20 0 FGADRP CCC[NH+](CCC)CCCC(=O)N1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000276035277 497486008 /nfs/dbraw/zinc/48/60/08/497486008.db2.gz RQXMVPNFBRQRGQ-NRFANRHFSA-N 2 0 374.573 3.264 20 0 FGADRP C[NH2+]CCC1CC[NH+]([C@@H]2CCN(c3ccc(C(F)(F)F)cc3)C2=O)CC1 ZINC000261997337 497490111 /nfs/dbraw/zinc/49/01/11/497490111.db2.gz OHKCNXDJTARWMP-QGZVFWFLSA-N 2 0 369.431 3.132 20 0 FGADRP C[NH2+]CCC1CC[NH+]([C@@H](C)C(=O)N[C@@H](C)c2cc3ccccc3o2)CC1 ZINC000262019493 497493996 /nfs/dbraw/zinc/49/39/96/497493996.db2.gz XFIYOGLLBGARON-HOTGVXAUSA-N 2 0 357.498 3.320 20 0 FGADRP CC[N@H+](Cc1ccc(C(=O)NC[C@@H]2[NH2+]CCc3ccccc32)cc1)C1CC1 ZINC000262027304 497495459 /nfs/dbraw/zinc/49/54/59/497495459.db2.gz BBOPEWKYVZCROO-QFIPXVFZSA-N 2 0 363.505 3.288 20 0 FGADRP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+]CCCOC2CCOCC2)C3)cc1 ZINC000245677015 497498512 /nfs/dbraw/zinc/49/85/12/497498512.db2.gz IDURQBJBAYLDRS-MZADTFQBSA-N 2 0 358.526 3.357 20 0 FGADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)N[C@H]2CC[NH+](C)[C@H]2c2ccccc2)C1 ZINC000245677806 497498667 /nfs/dbraw/zinc/49/86/67/497498667.db2.gz UIOYKBPIZUYEPD-GIVPXCGWSA-N 2 0 372.557 3.243 20 0 FGADRP COc1ccnc(C[NH+]2CCC(C[N@H+](C)Cc3ccccc3)CC2)c1OC ZINC000190506011 497508750 /nfs/dbraw/zinc/50/87/50/497508750.db2.gz PCRMUFHPTBLJEC-UHFFFAOYSA-N 2 0 369.509 3.443 20 0 FGADRP c1cc(-c2nc3ccccc3s2)oc1C[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000262110217 497509466 /nfs/dbraw/zinc/50/94/66/497509466.db2.gz KISOCOBDBGDNGA-HNNXBMFYSA-N 2 0 368.506 3.036 20 0 FGADRP CC[C@H](c1ccc(Cl)cc1)[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000262117920 497510892 /nfs/dbraw/zinc/51/08/92/497510892.db2.gz BRWAOLHPEJPGAE-ZYSHUDEJSA-N 2 0 363.933 3.371 20 0 FGADRP CC[NH+](CC)CCOc1ccccc1C[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000193977645 497538230 /nfs/dbraw/zinc/53/82/30/497538230.db2.gz IKJZTFDFVYPRCJ-HLAWJBBLSA-N 2 0 358.526 3.454 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+])c1ccsc1 ZINC000262331055 497541665 /nfs/dbraw/zinc/54/16/65/497541665.db2.gz RSOBUGLCMXTMJT-CNCYXEHGSA-N 2 0 363.571 3.401 20 0 FGADRP COc1ccnc(CN(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)c1OC ZINC000190613091 497545396 /nfs/dbraw/zinc/54/53/96/497545396.db2.gz SHNHCDQCOXXUBY-GOSISDBHSA-N 2 0 355.482 3.053 20 0 FGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H](C)c2cc(Br)cs2)CC1 ZINC000194025659 497551653 /nfs/dbraw/zinc/55/16/53/497551653.db2.gz ILCACSWHDJUCQQ-ZIAGYGMSSA-N 2 0 374.392 3.435 20 0 FGADRP CCCCO[C@@H]1C[C@H]([NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)C1(C)C ZINC000245884396 497559390 /nfs/dbraw/zinc/55/93/90/497559390.db2.gz LHYBRYWFFBTJOM-YSTOQKLRSA-N 2 0 352.563 3.328 20 0 FGADRP COc1ccc([C@H](O)C[NH2+][C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000272223084 497568978 /nfs/dbraw/zinc/56/89/78/497568978.db2.gz AJHHZQPOIQGWAD-NQSCKRDGSA-N 2 0 354.494 3.229 20 0 FGADRP CN(CC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)CC(F)(F)F ZINC000272281150 497585416 /nfs/dbraw/zinc/58/54/16/497585416.db2.gz ACOKLQHIVGVNQM-BCDXTJNWSA-N 2 0 355.448 3.266 20 0 FGADRP Cc1ccc([C@@H]([NH3+])C(=O)NCc2nccn2CCCc2ccccc2)cc1 ZINC000262621165 497585595 /nfs/dbraw/zinc/58/55/95/497585595.db2.gz DYHICNJSCBCHGB-OAQYLSRUSA-N 2 0 362.477 3.141 20 0 FGADRP O=C1[C@H](N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CCN1c1ccc(Cl)c(Cl)c1 ZINC000245976288 497588506 /nfs/dbraw/zinc/58/85/06/497588506.db2.gz OUAGQJHHWGSTRQ-IIYDPXPESA-N 2 0 368.308 3.315 20 0 FGADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NCc1ccccc1C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000569357224 505916452 /nfs/dbraw/zinc/91/64/52/505916452.db2.gz AGHHJERAPGQOKR-JYWFKMLOSA-N 2 0 357.542 3.169 20 0 FGADRP C[C@H]1C[C@@H](N(C)C(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[N@@H+]1Cc1ccccc1 ZINC000262676509 497598254 /nfs/dbraw/zinc/59/82/54/497598254.db2.gz SOVBVZNYXKSMGC-CROMKPASSA-N 2 0 369.553 3.419 20 0 FGADRP C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)[C@H]2CCCC[C@]2(C)[NH3+])CC1 ZINC000262737735 497612679 /nfs/dbraw/zinc/61/26/79/497612679.db2.gz CHISMUQOCFWILC-IRLDBZIGSA-N 2 0 357.542 3.265 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc2cc[nH]c2c1 ZINC000194289228 497624772 /nfs/dbraw/zinc/62/47/72/497624772.db2.gz PDCYPXPVUCKARV-SFHVURJKSA-N 2 0 357.502 3.048 20 0 FGADRP CC1CC[NH+](Cc2ccc(CNC(=O)[C@](C)([NH3+])c3ccccc3)cc2)CC1 ZINC000262803880 497625377 /nfs/dbraw/zinc/62/53/77/497625377.db2.gz FGXBHPJGSWOQHJ-HSZRJFAPSA-N 2 0 365.521 3.409 20 0 FGADRP C[C@@]([NH3+])(C(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)c1ccccc1 ZINC000262870874 497643210 /nfs/dbraw/zinc/64/32/10/497643210.db2.gz MHYQBDKTPMTCCI-NRFANRHFSA-N 2 0 371.912 3.295 20 0 FGADRP CC(C)(CNC(=O)C1CC[NH+](Cc2ccccc2)CC1)C[NH+]1CCCC1 ZINC000276753273 497644222 /nfs/dbraw/zinc/64/42/22/497644222.db2.gz FFEMMRYZOHCLEV-UHFFFAOYSA-N 2 0 357.542 3.137 20 0 FGADRP CCO[C@@H]1C[C@H]([NH2+][C@H](CN)c2ccc3ccccc3c2)C12CCOCC2 ZINC000578348895 505920178 /nfs/dbraw/zinc/92/01/78/505920178.db2.gz YVCPZUKGUFYQJA-QHAWAJNXSA-N 2 0 354.494 3.403 20 0 FGADRP COc1cc(C[NH2+][C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc(OC)c1O ZINC000272538783 497655612 /nfs/dbraw/zinc/65/56/12/497655612.db2.gz CEYSSPCXFHLFDO-VQIMIIECSA-N 2 0 370.493 3.410 20 0 FGADRP C[C@@]([NH3+])(C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1)c1ccccc1 ZINC000262978647 497671397 /nfs/dbraw/zinc/67/13/97/497671397.db2.gz YMCXBDLPUDTGKQ-NRFANRHFSA-N 2 0 369.534 3.091 20 0 FGADRP C[C@H]1CN(Cc2ccccc2)C[C@H]1[NH2+]Cc1ccnc(N2CCCC2)c1 ZINC000246245209 497673687 /nfs/dbraw/zinc/67/36/87/497673687.db2.gz OQHZAVFEDRODAF-GHTZIAJQSA-N 2 0 350.510 3.292 20 0 FGADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)N[C@@H](C)C1=CC[N@H+](C)CC1)c1ccccc1 ZINC000272721683 497712503 /nfs/dbraw/zinc/71/25/03/497712503.db2.gz JFJFWRQYMBPSJD-DLBZAZTESA-N 2 0 358.530 3.065 20 0 FGADRP C[C@@H]1CC(O)C[C@@H](C)[NH+]1Cc1cccc(C[N@H+]2[C@H](C)CC(O)C[C@@H]2C)c1 ZINC000191159068 497727893 /nfs/dbraw/zinc/72/78/93/497727893.db2.gz KYCGOZJJIXMIQK-FVUGJHJHSA-N 2 0 360.542 3.154 20 0 FGADRP Cc1ncc([C@H](C)NC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)c(C)n1 ZINC000277136281 497751789 /nfs/dbraw/zinc/75/17/89/497751789.db2.gz OVAAOEFFNLEFKX-OXJNMPFZSA-N 2 0 354.498 3.035 20 0 FGADRP C[C@@H](NC(=O)[C@H](C)[NH+]1CCC(C[NH+]2CCCC2)CC1)c1ccc(F)cc1 ZINC000194733753 497752557 /nfs/dbraw/zinc/75/25/57/497752557.db2.gz SZJSZUKKEKVHSQ-SJORKVTESA-N 2 0 361.505 3.199 20 0 FGADRP Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000194736006 497754291 /nfs/dbraw/zinc/75/42/91/497754291.db2.gz COBMHMVNSSUADJ-RBUKOAKNSA-N 2 0 357.542 3.369 20 0 FGADRP COc1cccc(C[NH2+]CCCOC2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000191283226 497768127 /nfs/dbraw/zinc/76/81/27/497768127.db2.gz RDFVQOMUZIOINH-UHFFFAOYSA-N 2 0 369.509 3.251 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NCC2CC[NH+](CCC(C)C)CC2)[C@@H](C)C1 ZINC000246570932 497778419 /nfs/dbraw/zinc/77/84/19/497778419.db2.gz YOSSQVRUUARBKV-ICSRJNTNSA-N 2 0 366.594 3.116 20 0 FGADRP C[C@H](OC[C@@H](O)C[N@@H+]1CCC[C@H]([NH+](C)C)CC1)c1ccc(Cl)cc1 ZINC000277229250 497782950 /nfs/dbraw/zinc/78/29/50/497782950.db2.gz OPARCIWBONVAAF-SNRMKQJTSA-N 2 0 354.922 3.195 20 0 FGADRP CC[C@H](C)[N@H+](C)CCNC(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000246791815 497811452 /nfs/dbraw/zinc/81/14/52/497811452.db2.gz AMEHTUXWNLMLSR-ZWKOTPCHSA-N 2 0 360.546 3.242 20 0 FGADRP C[NH+]1CCC(O)(C[NH2+][C@H]2CCC[C@H]2c2cccc(C(F)(F)F)c2)CC1 ZINC000284548366 497825360 /nfs/dbraw/zinc/82/53/60/497825360.db2.gz XVNPTCCIGBQDCT-IRXDYDNUSA-N 2 0 356.432 3.388 20 0 FGADRP COc1cc2c(NC3CC[NH+](C[C@@H]4CCOC4)CC3)cc[nH+]c2cc1F ZINC000280657752 497846163 /nfs/dbraw/zinc/84/61/63/497846163.db2.gz GJCQGWVUXCZPFO-AWEZNQCLSA-N 2 0 359.445 3.295 20 0 FGADRP [NH3+]C[C@@H](NC(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1)c1ccc2ccccc2c1 ZINC000581240537 505941241 /nfs/dbraw/zinc/94/12/41/505941241.db2.gz JEZNUJRFOJJWNB-PZJWPPBQSA-N 2 0 366.509 3.156 20 0 FGADRP CN(Cc1cscn1)Cc1cccc(NC(=O)[C@@]23CCC[C@@H]2C[NH2+]C3)c1 ZINC000280800497 497903040 /nfs/dbraw/zinc/90/30/40/497903040.db2.gz KNBGUPAXNZCZBB-OXQOHEQNSA-N 2 0 370.522 3.103 20 0 FGADRP C[C@H]1C[C@@H](C(=O)NC[C@@H]2CCCC[NH+](Cc3ccccc3)C2)CC[N@@H+]1C ZINC000292336305 497975480 /nfs/dbraw/zinc/97/54/80/497975480.db2.gz VKDVTSPKMSIZMD-JBACZVJFSA-N 2 0 357.542 3.135 20 0 FGADRP CN(c1ccccc1C[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)C1CC[NH+](C)CC1 ZINC000581310914 505958201 /nfs/dbraw/zinc/95/82/01/505958201.db2.gz TVDFOEGUAHPMTA-UXHICEINSA-N 3 0 370.585 3.039 20 0 FGADRP c1nc(C2OCCO2)sc1C[NH2+]CC1CC[NH+](Cc2ccccc2)CC1 ZINC000289205142 498058765 /nfs/dbraw/zinc/05/87/65/498058765.db2.gz IABHKRAFIMYUTN-UHFFFAOYSA-N 2 0 373.522 3.190 20 0 FGADRP Cn1ccnc1-c1cccc(NC(=O)NCCCCC[NH+]2CCCC2)c1 ZINC000296513315 498074105 /nfs/dbraw/zinc/07/41/05/498074105.db2.gz OHGOERXCISFJNO-UHFFFAOYSA-N 2 0 355.486 3.475 20 0 FGADRP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)NC[C@H]1CCC[NH+](C)[C@@H]1c1cccs1 ZINC000581403062 505980739 /nfs/dbraw/zinc/98/07/39/505980739.db2.gz ZCQPLXDXDVAXFE-NUJGCVRESA-N 2 0 366.575 3.159 20 0 FGADRP C[N@@H+]1CCC[C@@H](CC[NH2+]C[C@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000578619156 505982986 /nfs/dbraw/zinc/98/29/86/505982986.db2.gz BZQVKNOJIXLCQL-KBPBESRZSA-N 2 0 361.313 3.055 20 0 FGADRP C[N@H+](C[C@H](O)Cc1ccc(C(F)(F)F)cc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285560843 498129722 /nfs/dbraw/zinc/12/97/22/498129722.db2.gz RPCLRDHTXZOZQL-UJJTZGENSA-N 2 0 356.432 3.166 20 0 FGADRP COc1ccc(NC(=O)CC[N@@H+]2CC[C@]3(C2)CCC[NH+](C)C3)cc1Cl ZINC000292848892 498170046 /nfs/dbraw/zinc/17/00/46/498170046.db2.gz BSRODIZXQRDAHB-LJQANCHMSA-N 2 0 365.905 3.095 20 0 FGADRP C[C@@H]([NH2+][C@H]1CCCO[C@@H]1c1nccn1C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000289585686 498204307 /nfs/dbraw/zinc/20/43/07/498204307.db2.gz IFWZCBCZMULQIX-HZEGPAAWSA-N 2 0 368.525 3.140 20 0 FGADRP C[C@@H]([NH2+][C@H]1CCCO[C@@H]1c1nccn1C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000289585696 498204606 /nfs/dbraw/zinc/20/46/06/498204606.db2.gz IFWZCBCZMULQIX-PBASOCQRSA-N 2 0 368.525 3.140 20 0 FGADRP C[C@H]([NH2+]Cc1ccc(OCC[NH+](C)C)cc1)c1ccccc1-n1ccnn1 ZINC000285804615 498206096 /nfs/dbraw/zinc/20/60/96/498206096.db2.gz VLUXNPOTLZPSIW-KRWDZBQOSA-N 2 0 365.481 3.059 20 0 FGADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)NC[C@H](c1ccc(SC)cc1)[NH+](C)C ZINC000569699052 505996922 /nfs/dbraw/zinc/99/69/22/505996922.db2.gz HUHVZOHBLZMXDL-WMLDXEAASA-N 2 0 351.560 3.294 20 0 FGADRP C[C@H]([NH2+]C1CCN(c2nccs2)CC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000281630951 498220945 /nfs/dbraw/zinc/22/09/45/498220945.db2.gz OGPCOFHVXHBWHL-INIZCTEOSA-N 2 0 374.554 3.403 20 0 FGADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]C[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000289679752 498245362 /nfs/dbraw/zinc/24/53/62/498245362.db2.gz MSZSAUXJEQZIHB-HZPDHXFCSA-N 2 0 357.464 3.425 20 0 FGADRP C[C@H]1C[C@H]([NH3+])CCN1CC(=O)N(C)C(c1ccccc1)c1ccccc1 ZINC000569738169 506004222 /nfs/dbraw/zinc/00/42/22/506004222.db2.gz BVRMUJZRPMESJS-FXAWDEMLSA-N 2 0 351.494 3.046 20 0 FGADRP Cc1cc(Br)cn2c(C[N@H+](C)CC3CC[NH+](C)CC3)cnc12 ZINC000581514158 506005114 /nfs/dbraw/zinc/00/51/14/506005114.db2.gz ZZCPLBDUVKPDBU-UHFFFAOYSA-N 2 0 365.319 3.179 20 0 FGADRP CCS(=O)(=O)CCCCC[NH+]1CCC(C[NH+]2CCC(C)CC2)CC1 ZINC000365056032 498276213 /nfs/dbraw/zinc/27/62/13/498276213.db2.gz RWPMPKYHPCWVAM-UHFFFAOYSA-N 2 0 358.592 3.035 20 0 FGADRP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C(C)(C)n1cncn1 ZINC000289828062 498312812 /nfs/dbraw/zinc/31/28/12/498312812.db2.gz QDXUTAKOQROCEC-OHSMVPPVSA-N 2 0 353.514 3.187 20 0 FGADRP C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@@H]1[NH2+]Cc1ccnc(N2CCCCC2)c1 ZINC000360887703 498319532 /nfs/dbraw/zinc/31/95/32/498319532.db2.gz KLQOTHZFYOZJEG-NRSPTQNISA-N 2 0 372.557 3.051 20 0 FGADRP CC(C)[C@@H](C(=O)NCCCC[NH+]1CCC(Cc2ccccc2)CC1)[C@@H](C)[NH3+] ZINC000572637904 506018007 /nfs/dbraw/zinc/01/80/07/506018007.db2.gz BYFDLKCJOOVHIT-DENIHFKCSA-N 2 0 373.585 3.457 20 0 FGADRP C[C@H](NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)[C@H](c1ccccc1)[NH+](C)C ZINC000578806401 506025338 /nfs/dbraw/zinc/02/53/38/506025338.db2.gz OPXSPOLXWYGATM-HFSMHLIXSA-N 2 0 357.542 3.449 20 0 FGADRP CSC1(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)CC1 ZINC000581623605 506029772 /nfs/dbraw/zinc/02/97/72/506029772.db2.gz ULQSOZAXIRQAGS-LJQANCHMSA-N 2 0 360.567 3.400 20 0 FGADRP C[NH+](CCCC[N@@H+](C)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000365393281 498441513 /nfs/dbraw/zinc/44/15/13/498441513.db2.gz QHSHZYVNPRKMCE-YDETXVTLSA-N 2 0 364.574 3.257 20 0 FGADRP CC1CC[NH+](Cc2ccccc2CNC(=O)N2CCC(CC[NH3+])CC2)CC1 ZINC000575928769 506034852 /nfs/dbraw/zinc/03/48/52/506034852.db2.gz ZRCXDWZZFUGQKM-UHFFFAOYSA-N 2 0 372.557 3.189 20 0 FGADRP Cn1cc(-c2ccc(C[NH2+]C3CC[NH+]([C@@H]4CCCC[C@H]4O)CC3)s2)cn1 ZINC000282359680 498480419 /nfs/dbraw/zinc/48/04/19/498480419.db2.gz XINMYBYQIWKGIZ-RTBURBONSA-N 2 0 374.554 3.006 20 0 FGADRP COc1cccc(OC)c1OCCCC[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000290253003 498483552 /nfs/dbraw/zinc/48/35/52/498483552.db2.gz KAEQSPLZZRABJC-ROUUACIJSA-N 2 0 362.514 3.279 20 0 FGADRP COc1ccc([C@@H](C)[NH2+]Cc2ccncc2OCCC[NH+](C)C)cc1F ZINC000290257601 498485357 /nfs/dbraw/zinc/48/53/57/498485357.db2.gz KHQCJAFHRYHUPV-OAHLLOKOSA-N 2 0 361.461 3.411 20 0 FGADRP O=C([C@@H]1CCC[N@@H+]1C1CC1)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000293824735 498501760 /nfs/dbraw/zinc/50/17/60/498501760.db2.gz AHMCLVAEBHNSDO-NRFANRHFSA-N 2 0 367.537 3.128 20 0 FGADRP C[NH+](C)CCCOc1cnccc1CN[C@H](c1ncc[nH]1)c1ccccc1 ZINC000290334485 498513408 /nfs/dbraw/zinc/51/34/08/498513408.db2.gz PDLUBQKGDDACPF-FQEVSTJZSA-N 2 0 365.481 3.014 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H]2Cc3[nH]c4ccccc4c3C2)[C@H](C)C1 ZINC000282494821 498533749 /nfs/dbraw/zinc/53/37/49/498533749.db2.gz XROIMBFDUIVXKC-HLIPFELVSA-N 2 0 355.526 3.362 20 0 FGADRP C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N2CCC[C@@H](CC[NH3+])C2)C1 ZINC000581715222 506051978 /nfs/dbraw/zinc/05/19/78/506051978.db2.gz HGYAHHYVCARXMW-OALUTQOASA-N 2 0 372.557 3.189 20 0 FGADRP CCCC[N@H+](C)CC1CCN(C(=O)NCC2C[C@H]3CC[C@@H](C2)[NH+]3C)CC1 ZINC000363041572 498617252 /nfs/dbraw/zinc/61/72/52/498617252.db2.gz UPSHBEGTGJWXNP-IHWFROFDSA-N 2 0 364.578 3.013 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)C[C@@H]1CCCC[C@H]1[NH3+])c1cccc(OC)c1 ZINC000581819167 506067374 /nfs/dbraw/zinc/06/73/74/506067374.db2.gz GYYDUJHCOVSSIN-PWIZWCRZSA-N 2 0 361.530 3.102 20 0 FGADRP Cc1nn(C)c(N2CCC[N@H+](C)CC2)c1C[NH2+]CC[C@H](C)c1ccccc1 ZINC000365826340 498657191 /nfs/dbraw/zinc/65/71/91/498657191.db2.gz PSYGZARDRHVDIY-SFHVURJKSA-N 2 0 369.557 3.154 20 0 FGADRP C[C@@H](CNC(=O)NC[C@@H](c1ccccc1)[NH+]1CCC(C)CC1)[N@H+](C)C1CC1 ZINC000303240094 498657279 /nfs/dbraw/zinc/65/72/79/498657279.db2.gz IZULLISGXOMYNB-RXVVDRJESA-N 2 0 372.557 3.242 20 0 FGADRP Cc1ncc2n1C[C@H](C(=O)N(CC[NH+]1CCCCCC1)C1CCC1)CC2 ZINC000578995718 506069952 /nfs/dbraw/zinc/06/99/52/506069952.db2.gz REWIYNNQXKASTL-GOSISDBHSA-N 2 0 358.530 3.011 20 0 FGADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]CCNc1ncc(C(F)(F)F)cc1Cl ZINC000572868544 506071659 /nfs/dbraw/zinc/07/16/59/506071659.db2.gz FZDPZORWSNBGCA-MFKMUULPSA-N 2 0 350.816 3.273 20 0 FGADRP Cn1cncc1CCCN1CCN(c2c(Cl)cccc2Cl)CC1 ZINC000579000944 506071698 /nfs/dbraw/zinc/07/16/98/506071698.db2.gz NVFIYUWJTPEAFV-UHFFFAOYSA-N 2 0 353.297 3.482 20 0 FGADRP CC(C)Oc1cccc(C[NH2+]C[C@@H]2CCCN(C)[C@@H]2c2cnn(C)c2)c1 ZINC000363177735 498687351 /nfs/dbraw/zinc/68/73/51/498687351.db2.gz XUPMNTRLLSPVLK-RXVVDRJESA-N 2 0 356.514 3.380 20 0 FGADRP COC(=O)c1ccc(C[N@@H+]2CCCC[C@H]2[C@@H](C[NH3+])Cc2ccccc2)nc1 ZINC000572881828 506074558 /nfs/dbraw/zinc/07/45/58/506074558.db2.gz WWVXKBOSBRXDRW-CTNGQTDRSA-N 2 0 367.493 3.040 20 0 FGADRP Cc1ccc2ncc(C[N@H+]3CC[C@H](N4CC[NH+](C(C)C)CC4)C3)cc2c1 ZINC000576124487 506083366 /nfs/dbraw/zinc/08/33/66/506083366.db2.gz HGLFNTNKWVGMKJ-NRFANRHFSA-N 2 0 352.526 3.144 20 0 FGADRP O=C1CCCCN1c1ccc(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000298402915 498759167 /nfs/dbraw/zinc/75/91/67/498759167.db2.gz LXLMUMBCQZJIIX-UHFFFAOYSA-N 2 0 364.493 3.357 20 0 FGADRP Cc1cccc(OC[C@H](O)C[NH2+][C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000312592141 498760061 /nfs/dbraw/zinc/76/00/61/498760061.db2.gz XDHWKAMZKOAMCI-KSEOMHKRSA-N 2 0 368.521 3.235 20 0 FGADRP C[C@@H]1CN(Cc2ccccc2NC(=O)[C@@H]2C[C@H]3CCCC[N@@H+]3C2)C[C@H](C)O1 ZINC000363354567 498776313 /nfs/dbraw/zinc/77/63/13/498776313.db2.gz CGJNKSJSXPEPPD-PIKOESSRSA-N 2 0 371.525 3.109 20 0 FGADRP CC[NH+](CC)CCOc1ccccc1NC(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000572970122 506092890 /nfs/dbraw/zinc/09/28/90/506092890.db2.gz SDZHAKUTYQKFFB-NRFANRHFSA-N 2 0 374.529 3.015 20 0 FGADRP C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000581931426 506093158 /nfs/dbraw/zinc/09/31/58/506093158.db2.gz WEJFJNSEUAKLRZ-XLIONFOSSA-N 2 0 374.529 3.285 20 0 FGADRP C[C@H]([NH2+]C[C@H]1CCN(C(=O)c2ccccc2)C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000283196876 498813167 /nfs/dbraw/zinc/81/31/67/498813167.db2.gz RCBNUKUCEYLADM-ZVDOUQERSA-N 2 0 369.553 3.391 20 0 FGADRP FC(F)(F)c1ccn(C2CC[NH+](Cc3ccc4c(c3)C[NH2+]CC4)CC2)n1 ZINC000576233483 506109299 /nfs/dbraw/zinc/10/92/99/506109299.db2.gz ZUZJCDXNUTWHCK-UHFFFAOYSA-N 2 0 364.415 3.385 20 0 FGADRP C[C@H]1C[C@@H](C(=O)NC[C@H]2CCC[N@H+](C)[C@@H]2c2cccc(Cl)c2)CC[NH2+]1 ZINC000366416037 498915173 /nfs/dbraw/zinc/91/51/73/498915173.db2.gz DJUOSHBIGBGPAP-ITQYTPKQSA-N 2 0 363.933 3.227 20 0 FGADRP CC(C)Oc1ccc([C@H](CNC(=O)C2CC[NH+](C3CC3)CC2)[NH+](C)C)cc1 ZINC000287999147 498921109 /nfs/dbraw/zinc/92/11/09/498921109.db2.gz BHWLEVMUWYDKHB-NRFANRHFSA-N 2 0 373.541 3.067 20 0 FGADRP CC1CC[NH+](CCc2cccc(NC(=O)N3C[C@@H]4CC[C@H]([NH3+])[C@H]4C3)c2)CC1 ZINC000333198587 498932252 /nfs/dbraw/zinc/93/22/52/498932252.db2.gz WYGQFUIPLHGWOW-JBACZVJFSA-N 2 0 370.541 3.162 20 0 FGADRP C[C@@H]1C[C@@H](NC(=O)C(C)(C)[C@H]([NH3+])c2ccccc2)C[N@@H+]1Cc1ccccc1 ZINC000570207563 506115564 /nfs/dbraw/zinc/11/55/64/506115564.db2.gz MHZYKLQDKFUBQX-DUXKGJEZSA-N 2 0 365.521 3.492 20 0 FGADRP CC[C@H](C)[N@H+](C)CCNC(=O)N1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000576301535 506125344 /nfs/dbraw/zinc/12/53/44/506125344.db2.gz ZXSRUJIXQMPYMF-UGKGYDQZSA-N 2 0 372.557 3.024 20 0 FGADRP O=C([C@H](c1ccccc1)[NH+]1CCC([C@H]2CC[NH2+]C2)CC1)N1CCCCC1 ZINC000582063305 506125589 /nfs/dbraw/zinc/12/55/89/506125589.db2.gz WZQCXCOKXYZREM-SFTDATJTSA-N 2 0 355.526 3.062 20 0 FGADRP C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000288360358 499004139 /nfs/dbraw/zinc/00/41/39/499004139.db2.gz KPQWDZSCMJMAPV-PZJWPPBQSA-N 2 0 369.553 3.374 20 0 FGADRP C[C@@H](C[NH2+]Cc1cnc(-c2ccc(Cl)cc2)s1)N1CC[NH+](C)CC1 ZINC000283947306 499018788 /nfs/dbraw/zinc/01/87/88/499018788.db2.gz MLDIMRZGNSGEMA-AWEZNQCLSA-N 2 0 364.946 3.189 20 0 FGADRP c1cc(OCC[NH+]2CCCC2)ccc1CC[NH2+][C@H]1CCOC2(CCC2)C1 ZINC000295472941 499029265 /nfs/dbraw/zinc/02/92/65/499029265.db2.gz RQXLJYMFBUAUCF-FQEVSTJZSA-N 2 0 358.526 3.395 20 0 FGADRP Cn1nccc1[C@H]1CCC[C@H]([NH2+]Cc2cccc(OCC[NH+](C)C)c2)C1 ZINC000366736230 499055113 /nfs/dbraw/zinc/05/51/13/499055113.db2.gz FTXWCEFFCIDVIQ-OALUTQOASA-N 2 0 356.514 3.177 20 0 FGADRP C[C@H](c1ccncc1)N1CCC([NH2+]Cc2cnc(C(C)(C)C)nc2)CC1 ZINC000284185971 499064197 /nfs/dbraw/zinc/06/41/97/499064197.db2.gz AVWIBEFTLYJJLJ-MRXNPFEDSA-N 2 0 353.514 3.484 20 0 FGADRP Cc1cn2c(n1)[C@H](C[NH2+][C@H](CCn1cncn1)c1ccc(C)cc1)CCC2 ZINC000364159721 499125890 /nfs/dbraw/zinc/12/58/90/499125890.db2.gz YXANTFKXJQBQOL-VQTJNVASSA-N 2 0 364.497 3.390 20 0 FGADRP COc1cccc2c(N3CC[C@@H]([NH+]4CCN(C)CC4)[C@@H](C)C3)cc(C)nc12 ZINC000367059111 499141896 /nfs/dbraw/zinc/14/18/96/499141896.db2.gz BQIGUHIWMUGSRQ-QFBILLFUSA-N 2 0 368.525 3.014 20 0 FGADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CC[C@@](F)(c3ccc(F)cc3)C2)CC1 ZINC000370004925 499165077 /nfs/dbraw/zinc/16/50/77/499165077.db2.gz FGDGCJNSJXCXKO-FQEVSTJZSA-N 2 0 351.485 3.112 20 0 FGADRP C[C@H]([NH2+][C@H]1CCN(CCN2CCOCC2)C1)c1ccc(Cl)cc1Cl ZINC000372779998 499174400 /nfs/dbraw/zinc/17/44/00/499174400.db2.gz IZYVSBGWHKNZNQ-HOCLYGCPSA-N 2 0 372.340 3.051 20 0 FGADRP C[C@@H](c1nc(-c2cccnc2)no1)[NH+]1CCC2(C[C@@H]2C[N@H+](C)C2CC2)CC1 ZINC000367308865 499178103 /nfs/dbraw/zinc/17/81/03/499178103.db2.gz FQGOTTXQZRPAFR-DOTOQJQBSA-N 2 0 367.497 3.389 20 0 FGADRP C[C@H]([NH2+][C@H]1CCCc2n[nH]cc21)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000367585002 499214924 /nfs/dbraw/zinc/21/49/24/499214924.db2.gz CELWNDTWXLMQST-KSSFIOAISA-N 2 0 357.477 3.029 20 0 FGADRP COc1ccc(-c2ccncc2)cc1C[NH2+]C[C@H]1CN2CCCC[C@@H]2CO1 ZINC000370421553 499219567 /nfs/dbraw/zinc/21/95/67/499219567.db2.gz OOFYHTLHWDBFQX-RTWAWAEBSA-N 2 0 367.493 3.100 20 0 FGADRP COc1ccccc1C[C@@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)C(C)C ZINC000370636630 499238294 /nfs/dbraw/zinc/23/82/94/499238294.db2.gz RYNPMPWUUOZXOZ-PZJWPPBQSA-N 2 0 359.558 3.020 20 0 FGADRP COc1ccccc1C[C@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)C(C)C ZINC000370636628 499238346 /nfs/dbraw/zinc/23/83/46/499238346.db2.gz RYNPMPWUUOZXOZ-FPOVZHCZSA-N 2 0 359.558 3.020 20 0 FGADRP CC[C@@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccc(OC(F)F)cc1 ZINC000370637556 499238441 /nfs/dbraw/zinc/23/84/41/499238441.db2.gz UWEPHPWSJCSVGW-QFBILLFUSA-N 2 0 367.484 3.497 20 0 FGADRP Cc1ccccc1OCCC[NH+]1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC000370691598 499244796 /nfs/dbraw/zinc/24/47/96/499244796.db2.gz QBNGWUJZZVQBCW-UHFFFAOYSA-N 2 0 359.558 3.254 20 0 FGADRP CCOc1ccc([C@@H]2CCCN2C(=O)CN2CCC[C@@H]([NH+](C)C)CC2)cc1 ZINC000370696443 499244995 /nfs/dbraw/zinc/24/49/95/499244995.db2.gz GIIWYIBCELDHSG-CTNGQTDRSA-N 2 0 373.541 3.165 20 0 FGADRP c1cc(C[NH+]2CCC[C@]23CCOC3)cc(C[N@@H+]2CCC[C@]23CCOC3)c1 ZINC000370725303 499248330 /nfs/dbraw/zinc/24/83/30/499248330.db2.gz QWNGBUOCRCMENZ-FGZHOGPDSA-N 2 0 356.510 3.196 20 0 FGADRP C[C@@H]1C[N@H+](CCCN[C@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)CCCO1 ZINC000370730544 499249210 /nfs/dbraw/zinc/24/92/10/499249210.db2.gz OYRGDLAATPHQIK-XBYSBRQOSA-N 2 0 371.569 3.273 20 0 FGADRP C[NH2+]CCCC(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000370775629 499253468 /nfs/dbraw/zinc/25/34/68/499253468.db2.gz WYENJKFOSKOQHC-QAPCUYQASA-N 2 0 371.447 3.204 20 0 FGADRP COCC[C@@]1(C(=O)Nc2ccc(C[NH+]3CCCCCC3)cc2)CC[NH2+]C1 ZINC000370782219 499254145 /nfs/dbraw/zinc/25/41/45/499254145.db2.gz SIGWWOWGVSIDEO-NRFANRHFSA-N 2 0 359.514 3.017 20 0 FGADRP COc1cc(C[NH2+]C[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)cc(OC)c1O ZINC000368030439 499257080 /nfs/dbraw/zinc/25/70/80/499257080.db2.gz NSLIWSJWZTXCDK-APWZRJJASA-N 2 0 370.493 3.410 20 0 FGADRP Cc1ccc(C[NH+]2CCC(C[NH2+][C@H](C)C(C)(C)n3cncn3)CC2)cc1 ZINC000368071977 499261307 /nfs/dbraw/zinc/26/13/07/499261307.db2.gz WCESHMYWXDKEMT-GOSISDBHSA-N 2 0 355.530 3.212 20 0 FGADRP CC(C)c1ccccc1NC(=O)[C@H](C)[NH+]1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000570309917 506139406 /nfs/dbraw/zinc/13/94/06/506139406.db2.gz SBGAAOLLWKAVCW-YRISNDGFSA-N 2 0 373.541 3.355 20 0 FGADRP COc1ccccc1/C=C/C[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000368295250 499282888 /nfs/dbraw/zinc/28/28/88/499282888.db2.gz ZWMCSMCWFJVWKE-SOFGYWHQSA-N 2 0 357.542 3.058 20 0 FGADRP c1ccc2sc(N3CCC([NH2+][C@H]4CC[N@@H+]5CCC[C@H]5C4)CC3)nc2c1 ZINC000371110533 499289441 /nfs/dbraw/zinc/28/94/41/499289441.db2.gz ZITYZYAJJKQHGJ-IRXDYDNUSA-N 2 0 356.539 3.482 20 0 FGADRP Cc1nc(CC[N@@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)cs1 ZINC000368474139 499299605 /nfs/dbraw/zinc/29/96/05/499299605.db2.gz DHXXCANKTBOXAC-UHFFFAOYSA-N 2 0 364.603 3.122 20 0 FGADRP Cc1cc(C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)c2ccccc2n1 ZINC000371304249 499307892 /nfs/dbraw/zinc/30/78/92/499307892.db2.gz SDTMHZXYOTUJSG-HTAPYJJXSA-N 2 0 352.526 3.001 20 0 FGADRP C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000368609004 499313421 /nfs/dbraw/zinc/31/34/21/499313421.db2.gz UNECOVSMSWGPFG-SFFUCWETSA-N 2 0 351.535 3.094 20 0 FGADRP CCC[NH+]1CCN(C2CC[NH+](Cc3cccc4cccnc43)CC2)CC1 ZINC000369154970 499371776 /nfs/dbraw/zinc/37/17/76/499371776.db2.gz JFTMEKDNWPJHCT-UHFFFAOYSA-N 2 0 352.526 3.227 20 0 FGADRP C(C[NH2+][C@@H]1CCCC12CCOCC2)C[NH2+][C@H]1CCCC12CCOCC2 ZINC000369204771 499377179 /nfs/dbraw/zinc/37/71/79/499377179.db2.gz HKFVVVQPZUEWST-KDURUIRLSA-N 2 0 350.547 3.254 20 0 FGADRP CC(C)c1nccn1[C@H]1CCCN(Cc2nc(N)c3ccccc3n2)C1 ZINC000369257229 499384188 /nfs/dbraw/zinc/38/41/88/499384188.db2.gz HSLSQQPZXGGTLA-HNNXBMFYSA-N 2 0 350.470 3.199 20 0 FGADRP Cc1ccc(N2CCC(C(=O)N3CCC([N@H+]4CCC[C@@H]4C)CC3)CC2)nc1 ZINC000372085008 499397433 /nfs/dbraw/zinc/39/74/33/499397433.db2.gz AOWVCKYVYCRXKG-SFHVURJKSA-N 2 0 370.541 3.082 20 0 FGADRP C[C@H]1C[N@H+](CC2CCC(C(F)(F)F)CC2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000372112763 499400433 /nfs/dbraw/zinc/40/04/33/499400433.db2.gz JUNLQOGBKFLROT-FCCDEINASA-N 2 0 361.496 3.313 20 0 FGADRP C[C@@H]([NH2+]CCc1cn2c(n1)CCCC2)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000372234387 499411312 /nfs/dbraw/zinc/41/13/12/499411312.db2.gz YCMDHUPDPDAHJU-QUCCMNQESA-N 3 0 352.526 3.262 20 0 FGADRP CCn1c(CN[C@@H]2CC[N@H+](C[C@@H]3CCCO3)C[C@@H]2C)nc2cc(F)ccc21 ZINC000372352934 499424066 /nfs/dbraw/zinc/42/40/66/499424066.db2.gz ASEGJHZGIJPJIY-RYQLBKOJSA-N 2 0 374.504 3.174 20 0 FGADRP C[N@H+](C[C@H]1CC2(CC2)C(=O)O1)CC1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000373025095 499447849 /nfs/dbraw/zinc/44/78/49/499447849.db2.gz KMBPZTGNFWGFHE-LJQANCHMSA-N 2 0 356.510 3.316 20 0 FGADRP Cc1oc(-c2ccccc2)nc1CN1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000373179374 499455828 /nfs/dbraw/zinc/45/58/28/499455828.db2.gz ZAZGBAFPZMKYSE-QGZVFWFLSA-N 2 0 368.525 3.250 20 0 FGADRP C[NH+]1CCN(C[C@H]2CCC[N@H+](CC3CCC(C(F)(F)F)CC3)C2)CC1 ZINC000375214405 499496172 /nfs/dbraw/zinc/49/61/72/499496172.db2.gz GIAFAWFVYUMAHR-LXPRWKDFSA-N 2 0 361.496 3.315 20 0 FGADRP C[C@@H]1[NH+](C/C=C/C[N@@H+]2CCC3(CCOCC3)[C@@H]2C)CCC12CCOCC2 ZINC000375241971 499498397 /nfs/dbraw/zinc/49/83/97/499498397.db2.gz MJTGNJQSKMJLDW-LOKQZNEXSA-N 2 0 362.558 3.325 20 0 FGADRP C[N@H+](C[C@@H]1CC12CC[NH+](Cc1cc(F)cc3c1OCOC3)CC2)C1CC1 ZINC000378355353 499506052 /nfs/dbraw/zinc/50/60/52/499506052.db2.gz KDIOKAJJBGZBOU-KRWDZBQOSA-N 2 0 360.473 3.389 20 0 FGADRP Cc1cn2c(n1)CC[C@@H]([NH2+][C@@H]1CC3(CC[NH+](C)CC3)Oc3ccccc31)C2 ZINC000378440852 499517094 /nfs/dbraw/zinc/51/70/94/499517094.db2.gz CWGYCRREDZLTQM-IEBWSBKVSA-N 2 0 366.509 3.084 20 0 FGADRP CC(=O)N1CC[C@@H]([NH2+]CCN(C)Cc2ccccc2)c2ccccc2C1 ZINC000378492705 499523734 /nfs/dbraw/zinc/52/37/34/499523734.db2.gz HTSINQNBNGUQMI-JOCHJYFZSA-N 2 0 351.494 3.202 20 0 FGADRP CC[NH+](CC)Cc1cc([C@@H](C)[NH2+][C@H]2CCc3c[nH]nc3C2)ccc1OC ZINC000378510723 499526034 /nfs/dbraw/zinc/52/60/34/499526034.db2.gz INNAKQAZBCWEFN-BEFAXECRSA-N 2 0 356.514 3.468 20 0 FGADRP CN1c2ccc(C[NH2+]C[C@@H]3CC[N@H+](Cc4ccccc4)C3)cc2CCC1=O ZINC000375691953 499545675 /nfs/dbraw/zinc/54/56/75/499545675.db2.gz KOISEUOXRBLTRX-FQEVSTJZSA-N 2 0 363.505 3.207 20 0 FGADRP CN(Cc1ccccc1)C1(C[NH2+]Cc2ccc3c(c2)NC(=O)CO3)CCC1 ZINC000386818015 499549165 /nfs/dbraw/zinc/54/91/65/499549165.db2.gz FQENQVQOMBMNED-UHFFFAOYSA-N 2 0 365.477 3.162 20 0 FGADRP C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@@H]1[NH2+]C/C=C/c1ccc(F)c(F)c1 ZINC000375740234 499550401 /nfs/dbraw/zinc/55/04/01/499550401.db2.gz FDHFDYHZRHAOBL-SUXRQNKWSA-N 2 0 350.453 3.457 20 0 FGADRP [NH3+][C@@H]1C[C@H](NC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)c2ccccc21 ZINC000390586231 499554498 /nfs/dbraw/zinc/55/44/98/499554498.db2.gz FOMNDEZJUVGAIO-BWAGFHJFSA-N 2 0 351.494 3.012 20 0 FGADRP CCc1nccn1C[C@@H]1CCCN1C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000375880490 499564346 /nfs/dbraw/zinc/56/43/46/499564346.db2.gz MYFUACFNRBYZHU-HKUYNNGSSA-N 2 0 358.530 3.091 20 0 FGADRP C[N@H+](Cc1ccccc1)[C@@H]1CCCN(C(=O)c2ccc(C[NH3+])cc2)CC1 ZINC000376927190 499646997 /nfs/dbraw/zinc/64/69/97/499646997.db2.gz YVMYNKSEFRXWRC-OAQYLSRUSA-N 2 0 351.494 3.272 20 0 FGADRP CC[NH+](CC)CCN(CCC(F)(F)F)N1C[C@@H]([NH+]2CCCC2)C[C@@H]1C ZINC000377057545 499657611 /nfs/dbraw/zinc/65/76/11/499657611.db2.gz QYTWEFDTWKUIEG-IRXDYDNUSA-N 2 0 364.500 3.056 20 0 FGADRP C[N@H+](CCN1CC[NH+](CCCCC2CCOCC2)CC1)Cc1ccccc1 ZINC000410369844 499658056 /nfs/dbraw/zinc/65/80/56/499658056.db2.gz QAKMVJCPJKAYDV-UHFFFAOYSA-N 2 0 373.585 3.333 20 0 FGADRP CC(C)[NH2+]CCCNC(=O)NC[C@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000570382812 506155247 /nfs/dbraw/zinc/15/52/47/506155247.db2.gz JUCHVRBTRXEZKE-QGZVFWFLSA-N 2 0 366.575 3.208 20 0 FGADRP C[C@H](CCc1cccc(F)c1)[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000377708813 499723440 /nfs/dbraw/zinc/72/34/40/499723440.db2.gz YBLIYAZAZJGIQI-JIMIUWDKSA-N 2 0 359.533 3.390 20 0 FGADRP OC[C@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+]C1CC(c2ccccn2)C1 ZINC000377709054 499723858 /nfs/dbraw/zinc/72/38/58/499723858.db2.gz UIKUGLZJDIHWFE-XVAXZDLZSA-N 2 0 351.494 3.074 20 0 FGADRP C[C@H]1C[N@H+](CCn2ccc3cc(Cl)ccc32)CCN1C1CC[NH+](C)CC1 ZINC000377870591 499743777 /nfs/dbraw/zinc/74/37/77/499743777.db2.gz VTRVNWBIZZYXDY-KRWDZBQOSA-N 2 0 374.960 3.395 20 0 FGADRP CC[NH+]1CCC(NC(=O)C[NH2+][C@H](Cc2ccccc2)c2cccs2)CC1 ZINC000411516194 499750083 /nfs/dbraw/zinc/75/00/83/499750083.db2.gz JJIAGLIZJXHMMV-LJQANCHMSA-N 2 0 371.550 3.222 20 0 FGADRP Cc1ccccc1[C@@H](CC(C)C)[NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000414193370 499767442 /nfs/dbraw/zinc/76/74/42/499767442.db2.gz MPSNGIMKCXTLPI-JOCHJYFZSA-N 2 0 373.585 3.468 20 0 FGADRP COCCOc1ccc([C@@H](C)[NH2+]CC[C@@H]2CCC[N@H+](C)C2)cc1OC ZINC000414198936 499767802 /nfs/dbraw/zinc/76/78/02/499767802.db2.gz XADVQTYTXACEKI-SJORKVTESA-N 2 0 350.503 3.103 20 0 FGADRP CC(C)c1ccc([C@@H](C)[NH2+]CC2(N3CCOCC3)CC[NH+](C)CC2)cc1 ZINC000414205829 499768443 /nfs/dbraw/zinc/76/84/43/499768443.db2.gz XSVAMYICPFLKEE-LJQANCHMSA-N 2 0 359.558 3.257 20 0 FGADRP Cc1c2ccccc2oc1[C@@H](C)[NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000414203895 499768484 /nfs/dbraw/zinc/76/84/84/499768484.db2.gz VRAKWHUTYCHOGP-GOSISDBHSA-N 2 0 371.525 3.188 20 0 FGADRP OC1(C[NH2+][C@@H]2CCCC[C@@H]2[C@@H]2CCOC2)CC[NH+](Cc2ccccc2)CC1 ZINC000414294297 499775196 /nfs/dbraw/zinc/77/51/96/499775196.db2.gz BXFTZIFETZXIFB-YPAWHYETSA-N 2 0 372.553 3.198 20 0 FGADRP OC1(C[NH2+][C@@H]2CCC[C@@H]([C@H]3CCOC3)C2)CC[NH+](Cc2ccccc2)CC1 ZINC000414302192 499775854 /nfs/dbraw/zinc/77/58/54/499775854.db2.gz KGTOFJGIRMILPQ-BHIFYINESA-N 2 0 372.553 3.198 20 0 FGADRP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1)c1cccc(F)c1 ZINC000414319601 499777361 /nfs/dbraw/zinc/77/73/61/499777361.db2.gz AETMPPGOSYHDGR-INIZCTEOSA-N 2 0 369.484 3.374 20 0 FGADRP C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)C[C@@H]1C ZINC000414344405 499779722 /nfs/dbraw/zinc/77/97/22/499779722.db2.gz RLRIYMYKCUNGBK-LLGFUMIMSA-N 2 0 357.542 3.298 20 0 FGADRP Cc1cc(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)ccc1C(F)(F)F ZINC000414411159 499788302 /nfs/dbraw/zinc/78/83/02/499788302.db2.gz PHGJMAOYCCPQFB-LPHOPBHVSA-N 2 0 369.475 3.472 20 0 FGADRP Cc1cc(C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)ccc1C(F)(F)F ZINC000414411160 499788354 /nfs/dbraw/zinc/78/83/54/499788354.db2.gz PHGJMAOYCCPQFB-QFBILLFUSA-N 2 0 369.475 3.472 20 0 FGADRP CCN(Cc1ccc(S(C)(=O)=O)s1)Cc1ccc(C[NH+](C)C)cc1 ZINC000414442828 499792747 /nfs/dbraw/zinc/79/27/47/499792747.db2.gz RCKVVFYNVBPLOC-UHFFFAOYSA-N 2 0 366.552 3.235 20 0 FGADRP Cc1nn(-c2cc[nH+]cc2)cc1CN1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000414513250 499801417 /nfs/dbraw/zinc/80/14/17/499801417.db2.gz OWLLCJMFDIIVBS-GOSISDBHSA-N 2 0 361.493 3.282 20 0 FGADRP CC[N@H+](C[C@H]1CCCN(C(=O)C[NH3+])C1)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000414732580 499824309 /nfs/dbraw/zinc/82/43/09/499824309.db2.gz CTOPMMZSNRPOPJ-HUUCEWRRSA-N 2 0 371.447 3.286 20 0 FGADRP Cc1cc(Br)ccc1NC(=O)C[N@@H+](C)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414737970 499825220 /nfs/dbraw/zinc/82/52/20/499825220.db2.gz OREXHOWDKIAFLB-KGLIPLIRSA-N 2 0 368.319 3.016 20 0 FGADRP C[C@H](c1ccc(Cl)c(Cl)c1)[N@H+](C)C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414738554 499825230 /nfs/dbraw/zinc/82/52/30/499825230.db2.gz PHEVJMGIKZHXQZ-OLZOCXBDSA-N 2 0 358.313 3.184 20 0 FGADRP CCCCc1oc2ccccc2c1C[N@H+](C)C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414744509 499825789 /nfs/dbraw/zinc/82/57/89/499825789.db2.gz WMQJSMGALNLMTQ-KRWDZBQOSA-N 2 0 371.525 3.405 20 0 FGADRP C[C@@H]1C[C@@H](C[NH+]2CCN(C(=O)c3c(Cl)cccc3Cl)CC2)CC[NH2+]1 ZINC000414747332 499826120 /nfs/dbraw/zinc/82/61/20/499826120.db2.gz MTZOGSQDLAPTDC-KGLIPLIRSA-N 2 0 370.324 3.139 20 0 FGADRP C[C@@H](C[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2)c1ccc(C(F)(F)F)cc1 ZINC000414771721 499828961 /nfs/dbraw/zinc/82/89/61/499828961.db2.gz AHJROZYAJRHHOK-YOEHRIQHSA-N 2 0 356.432 3.496 20 0 FGADRP C[C@@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C[C@H]1C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000412161048 499829036 /nfs/dbraw/zinc/82/90/36/499829036.db2.gz LBXKVFAAZMWLHP-AGRFSFNASA-N 2 0 357.542 3.275 20 0 FGADRP C[C@@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)[NH+]1[C@H](C)CC[C@H]1C ZINC000412161055 499829067 /nfs/dbraw/zinc/82/90/67/499829067.db2.gz LBXKVFAAZMWLHP-TYZHSBRISA-N 2 0 357.542 3.275 20 0 FGADRP c1ccc(CC(Cc2ccccc2)C[NH+]2CCN([C@H]3CC[NH2+]C3)CC2)cc1 ZINC000414773790 499829318 /nfs/dbraw/zinc/82/93/18/499829318.db2.gz SWXRNPQFQGJWIP-DEOSSOPVSA-N 2 0 363.549 3.068 20 0 FGADRP COc1cc(Br)ccc1C[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000414774664 499829708 /nfs/dbraw/zinc/82/97/08/499829708.db2.gz FREQCBNUISEODW-UONOGXRCSA-N 2 0 353.304 3.279 20 0 FGADRP CC[NH+](CC)CCOc1ccccc1NC(=O)NC[C@H]1CCC[C@H]([NH3+])C1 ZINC000414778185 499829802 /nfs/dbraw/zinc/82/98/02/499829802.db2.gz GMRNTAFSYQVRMT-IRXDYDNUSA-N 2 0 362.518 3.046 20 0 FGADRP Cc1nn(-c2ccc(F)cc2)c(C)c1C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000414783821 499830760 /nfs/dbraw/zinc/83/07/60/499830760.db2.gz QPQUUWOJNXHRAF-ROUUACIJSA-N 2 0 356.489 3.450 20 0 FGADRP COc1sc(C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc1Br ZINC000414784991 499831099 /nfs/dbraw/zinc/83/10/99/499831099.db2.gz RYBAXZSVZVZCJX-NEPJUHHUSA-N 2 0 359.333 3.341 20 0 FGADRP COc1ccc(C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])cc1OCc1cccnc1 ZINC000414802805 499832742 /nfs/dbraw/zinc/83/27/42/499832742.db2.gz NEJLECKWFUZITO-RTBURBONSA-N 2 0 355.482 3.276 20 0 FGADRP COc1ccc(C(=O)Nc2cccc(C[NH2+]C[C@H]3CCC[NH2+]C3)c2)cc1 ZINC000414822112 499834730 /nfs/dbraw/zinc/83/47/30/499834730.db2.gz CCJNBSNXJOYIFD-KRWDZBQOSA-N 2 0 353.466 3.037 20 0 FGADRP Brc1ccccc1CN1CCC([NH2+]CC[C@H]2CC[NH2+]C2)CC1 ZINC000414837183 499836077 /nfs/dbraw/zinc/83/60/77/499836077.db2.gz UHOOGIFTEMMAOQ-OAHLLOKOSA-N 2 0 366.347 3.003 20 0 FGADRP C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]CC1([NH3+])CCCCC1 ZINC000414847071 499837277 /nfs/dbraw/zinc/83/72/77/499837277.db2.gz UNNXNVWPBPCJBZ-ZDUSSCGKSA-N 2 0 368.319 3.417 20 0 FGADRP COc1ccc(C(=O)Nc2cccc(C[NH2+][C@@H](C)[C@H]3CCC[NH2+]C3)c2)cc1 ZINC000414865652 499839230 /nfs/dbraw/zinc/83/92/30/499839230.db2.gz ZKJYKRSWXDDYKC-LPHOPBHVSA-N 2 0 367.493 3.425 20 0 FGADRP CCOc1cc(C[NH2+]C[C@@H](C)C[NH3+])cc(Br)c1OC(F)F ZINC000414875213 499840147 /nfs/dbraw/zinc/84/01/47/499840147.db2.gz JNOLEBHQBHOKAX-VIFPVBQESA-N 2 0 367.234 3.134 20 0 FGADRP C[C@H](C[NH3+])C[NH2+][C@H](C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000414882824 499841041 /nfs/dbraw/zinc/84/10/41/499841041.db2.gz UPDOOUHRWNOEEA-NXEZZACHSA-N 2 0 351.800 3.260 20 0 FGADRP CN(c1ccccc1CNC[C@@H]1[NH2+]CCCC1(C)C)C1CC[NH+](C)CC1 ZINC000414927459 499845284 /nfs/dbraw/zinc/84/52/84/499845284.db2.gz LYIFMAJUFLZFMV-NRFANRHFSA-N 2 0 358.574 3.085 20 0 FGADRP [NH3+]C[C@@H](NC1CC[NH+](Cc2ccncc2)CC1)c1ccc2ccccc2c1 ZINC000414944255 499847268 /nfs/dbraw/zinc/84/72/68/499847268.db2.gz PLCSHGCRBKLKBZ-HSZRJFAPSA-N 2 0 360.505 3.489 20 0 FGADRP C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+][C@H]1CC[NH2+][C@H](C)C1 ZINC000414950346 499848013 /nfs/dbraw/zinc/84/80/13/499848013.db2.gz OMGRCVYXRRFFON-BZPMIXESSA-N 2 0 359.392 3.032 20 0 FGADRP Fc1ccccc1-c1ccc(C[NH2+]C[C@@H](N2CC[NH2+]CC2)C(F)(F)F)o1 ZINC000414963404 499849388 /nfs/dbraw/zinc/84/93/88/499849388.db2.gz AZNLUNAYHITMGM-QGZVFWFLSA-N 2 0 371.378 3.011 20 0 FGADRP C[C@@H]1CCN(C(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)C[C@@H]1C[NH3+] ZINC000414973602 499850450 /nfs/dbraw/zinc/85/04/50/499850450.db2.gz ZWSFHMFPBYLGDU-MJGOQNOKSA-N 2 0 358.530 3.164 20 0 FGADRP C[C@H]([NH3+])[C@H]1CCCN(C(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)C1 ZINC000414977948 499850645 /nfs/dbraw/zinc/85/06/45/499850645.db2.gz RHCQFFPSNYSFEV-HKUYNNGSSA-N 2 0 358.530 3.306 20 0 FGADRP CC1(C)C[NH2+]CC[C@@H]1[NH2+]Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000414982060 499851149 /nfs/dbraw/zinc/85/11/49/499851149.db2.gz YFVOFIZISYHKFR-HNNXBMFYSA-N 2 0 352.404 3.369 20 0 FGADRP [NH3+][C@@H]1CCC[C@@H](C[NH2+]Cc2cn(-c3ccc(Cl)cc3Cl)nn2)C1 ZINC000415011011 499854820 /nfs/dbraw/zinc/85/48/20/499854820.db2.gz VQJIJMYMRPAGOQ-DGCLKSJQSA-N 2 0 354.285 3.181 20 0 FGADRP Cn1c(C[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)nc2cc(C(F)(F)F)ccc21 ZINC000415014385 499855052 /nfs/dbraw/zinc/85/50/52/499855052.db2.gz WZQFJZIJEUFBOQ-UONOGXRCSA-N 2 0 352.404 3.070 20 0 FGADRP [NH3+]C[C@H]1CC[C@H](C[NH2+]Cc2cn(-c3ccc(Cl)cc3Cl)nn2)CC1 ZINC000415025202 499855874 /nfs/dbraw/zinc/85/58/74/499855874.db2.gz PFEIATSUPPXXRD-JOCQHMNTSA-N 2 0 368.312 3.429 20 0 FGADRP C[C@@H]1C[C@H](C[NH2+][C@@H]2CCCN(Cc3ccc(F)cc3Cl)C2)CC[NH2+]1 ZINC000415078187 499861546 /nfs/dbraw/zinc/86/15/46/499861546.db2.gz FWORVZYFZZPSPK-IIDMSEBBSA-N 2 0 353.913 3.421 20 0 FGADRP Fc1ccc(CN2CCC([NH2+][C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)CC2)cc1F ZINC000415103595 499863897 /nfs/dbraw/zinc/86/38/97/499863897.db2.gz KPKHXLGIEAAXRD-DZFGPLHGSA-N 2 0 363.496 3.440 20 0 FGADRP CCN1CC[C@H]([NH2+]C[C@@H]2CC[NH2+][C@H](C)C2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000415108794 499864500 /nfs/dbraw/zinc/86/45/00/499864500.db2.gz PCELSUKWCQECBV-OMIIGZTASA-N 2 0 355.448 3.217 20 0 FGADRP CCOc1ccc(C[NH+]2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)cc1OCC ZINC000415119361 499865932 /nfs/dbraw/zinc/86/59/32/499865932.db2.gz FDXQHFIESRKZMV-UYAOXDASSA-N 2 0 362.514 3.202 20 0 FGADRP COc1ccccc1C[C@@H](C)[NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1 ZINC000415127524 499867460 /nfs/dbraw/zinc/86/74/60/499867460.db2.gz IJSMLJQVJZMWGY-LJQANCHMSA-N 2 0 367.537 3.209 20 0 FGADRP [NH3+][C@@H]1CCO[C@H](C2CC[NH+](Cc3cccc(Br)c3)CC2)C1 ZINC000415129672 499867783 /nfs/dbraw/zinc/86/77/83/499867783.db2.gz VPLIRWCHRITSRL-SJORKVTESA-N 2 0 353.304 3.167 20 0 FGADRP CCCOc1cc(C[NH+]2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)ccc1OC ZINC000415129390 499867858 /nfs/dbraw/zinc/86/78/58/499867858.db2.gz PIPFELILCXSJHN-RXVVDRJESA-N 2 0 362.514 3.202 20 0 FGADRP Cc1ccccc1COc1c(C)cc(C[NH+]2CCC(O)(C[NH3+])CC2)cc1C ZINC000415146659 499870035 /nfs/dbraw/zinc/87/00/35/499870035.db2.gz YXSJCWSJMAPNGD-UHFFFAOYSA-N 2 0 368.521 3.476 20 0 FGADRP CC1CC[NH+](CCc2cccc(NC(=O)NCC[C@@H]3CC[NH2+]C3)c2)CC1 ZINC000415383282 499890403 /nfs/dbraw/zinc/89/04/03/499890403.db2.gz BPLGDZDTDRXMPY-IBGZPJMESA-N 2 0 358.530 3.082 20 0 FGADRP Cc1csc2ncnc(NCCC[NH+]3CCN(c4cc[nH+]cc4)CC3)c12 ZINC000413096537 499913409 /nfs/dbraw/zinc/91/34/09/499913409.db2.gz BJWCYQCXCFUQEC-UHFFFAOYSA-N 2 0 368.510 3.019 20 0 FGADRP C[C@@H](C(=O)Nc1ccccc1CN1C[C@@H](C)O[C@@H](C)C1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000413175217 499922690 /nfs/dbraw/zinc/92/26/90/499922690.db2.gz JOCZQSTXEQDQBN-APAFKAMOSA-N 2 0 373.541 3.496 20 0 FGADRP C[NH2+]Cc1ccccc1NC(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000415906355 499926762 /nfs/dbraw/zinc/92/67/62/499926762.db2.gz XKDYBKCIWQOOIO-FQEVSTJZSA-N 2 0 352.482 3.365 20 0 FGADRP CC[NH2+]Cc1cccc(NC(=O)N(CC[NH+](C)C)Cc2cccs2)c1 ZINC000415909960 499927281 /nfs/dbraw/zinc/92/72/81/499927281.db2.gz UZDRNKKLTGLIJL-UHFFFAOYSA-N 2 0 360.527 3.453 20 0 FGADRP C[NH2+]Cc1ccccc1NC(=O)N[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000415913634 499927597 /nfs/dbraw/zinc/92/75/97/499927597.db2.gz QBTSJRDWLQCZNT-LPHOPBHVSA-N 2 0 352.482 3.191 20 0 FGADRP C[NH2+]Cc1cccc(NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)c1 ZINC000415931044 499929937 /nfs/dbraw/zinc/92/99/37/499929937.db2.gz LFPPUUXMLSATFY-OXJNMPFZSA-N 2 0 352.482 3.191 20 0 FGADRP [NH3+]CCOc1ccc(NC(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)cc1 ZINC000415933569 499930307 /nfs/dbraw/zinc/93/03/07/499930307.db2.gz GBAWACSQOQAKHH-SFHVURJKSA-N 2 0 374.529 3.144 20 0 FGADRP CC[NH2+]Cc1cccc(NC(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)c1 ZINC000415935719 499930397 /nfs/dbraw/zinc/93/03/97/499930397.db2.gz RYJYBVQCZHCPFS-SFHVURJKSA-N 2 0 356.470 3.348 20 0 FGADRP C[NH2+]Cc1cccc(NC(=O)NC[C@@H](C2CC2)[N@H+](C)Cc2ccccc2)c1 ZINC000415937033 499930866 /nfs/dbraw/zinc/93/08/66/499930866.db2.gz XBGYHHNPKHQXSM-NRFANRHFSA-N 2 0 366.509 3.438 20 0 FGADRP CC[NH2+]Cc1ccccc1NC(=O)N(CC[NH+](C)C)Cc1ccccc1 ZINC000415948451 499931946 /nfs/dbraw/zinc/93/19/46/499931946.db2.gz YNCHGXSDUBSGQE-UHFFFAOYSA-N 2 0 354.498 3.392 20 0 FGADRP CC[N@@H+]1C[C@H](C)N(C(=O)Nc2cc(C[NH3+])cc(C(F)(F)F)c2)C[C@H]1C ZINC000415964979 499934544 /nfs/dbraw/zinc/93/45/44/499934544.db2.gz YXSXQGJYKOQHPM-NEPJUHHUSA-N 2 0 358.408 3.111 20 0 FGADRP Cc1ccc([C@@H](CNC(=O)Nc2ccc(C[NH3+])cc2)[NH+]2CCCC2)cc1 ZINC000415969113 499935414 /nfs/dbraw/zinc/93/54/14/499935414.db2.gz DEDHJPKPKJDKHN-HXUWFJFHSA-N 2 0 352.482 3.412 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000415988546 499937911 /nfs/dbraw/zinc/93/79/11/499937911.db2.gz DFJDGODGXZAGRX-DLBZAZTESA-N 2 0 364.493 3.417 20 0 FGADRP C[C@@H]([NH3+])c1ccc(CNC(=O)NCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000417034561 499953660 /nfs/dbraw/zinc/95/36/60/499953660.db2.gz GAPRMTORGGUFEI-FGTMMUONSA-N 2 0 360.546 3.264 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)c2cccc(C[NH+]3CCCCC3)c2)[C@H](C)C1 ZINC000413507855 499975182 /nfs/dbraw/zinc/97/51/82/499975182.db2.gz TWDPOZCQOCBSRY-NQIIRXRSSA-N 2 0 357.542 3.475 20 0 FGADRP Cc1oc(-c2ccccc2)nc1C[NH+]1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000573310161 506168354 /nfs/dbraw/zinc/16/83/54/506168354.db2.gz HRYKYFNDNMPYSG-UYAOXDASSA-N 2 0 355.482 3.368 20 0 FGADRP C[N@H+](Cc1ccccc1CNC(=O)NCC1([NH3+])CCC1)C1CCCCC1 ZINC000417224640 500009800 /nfs/dbraw/zinc/00/98/00/500009800.db2.gz RSQPIVLJKJEKPX-UHFFFAOYSA-N 2 0 358.530 3.132 20 0 FGADRP CC[NH+](CC)[C@H](C(=O)N1CC[C@@H]([NH3+])[C@H](C)C1)c1cccc(C(F)(F)F)c1 ZINC000429139283 500011743 /nfs/dbraw/zinc/01/17/43/500011743.db2.gz FASMIMRLSJLZSY-XYPHTWIQSA-N 2 0 371.447 3.284 20 0 FGADRP C[C@H](OC[C@H](O)C[NH2+][C@@H](C)C(C)(C)C[NH+](C)C)c1ccc(Cl)cc1 ZINC000573317469 506170665 /nfs/dbraw/zinc/17/06/65/506170665.db2.gz JHOSTRWFULOAOE-RLFYNMQTSA-N 2 0 356.938 3.344 20 0 FGADRP COC(=O)c1ccc(C[NH2+]C2CCC([NH+](C)C)CC2)c(Br)c1 ZINC000421370875 500030050 /nfs/dbraw/zinc/03/00/50/500030050.db2.gz JBHWSTBJDAWSSC-UHFFFAOYSA-N 2 0 369.303 3.198 20 0 FGADRP Cc1ccc([C@H](CNC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)[NH+]2CCCC2)cc1 ZINC000417351640 500047176 /nfs/dbraw/zinc/04/71/76/500047176.db2.gz CZTHYVMLDPSURN-JKWVGCSGSA-N 2 0 370.541 3.056 20 0 FGADRP Cc1ccc([C@@H](CNC(=O)N(C)CC[C@H]([NH3+])C(C)C)[NH+]2CCCC2)cc1 ZINC000417356881 500047826 /nfs/dbraw/zinc/04/78/26/500047826.db2.gz QMOFFSRXEAODEX-VQTJNVASSA-N 2 0 360.546 3.147 20 0 FGADRP C[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]CC(C)(C)C2(O)CCOCC2)CC1 ZINC000417386276 500057009 /nfs/dbraw/zinc/05/70/09/500057009.db2.gz SRHHGYAHPOMVGV-PKOBYXMFSA-N 2 0 352.563 3.187 20 0 FGADRP CC[N@H+](C)Cc1cccc(CNC(=O)N2CCC([C@@H]3[NH2+]CC3(C)C)CC2)c1 ZINC000417400705 500061912 /nfs/dbraw/zinc/06/19/12/500061912.db2.gz KWTNJJUAUNKLPW-FQEVSTJZSA-N 2 0 372.557 3.058 20 0 FGADRP CCC(C)(C)C[NH2+][C@@H](C)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000429418996 500074897 /nfs/dbraw/zinc/07/48/97/500074897.db2.gz RWTJVQSSYGLFSE-INIZCTEOSA-N 2 0 369.575 3.003 20 0 FGADRP CCC[NH+]1CCC([NH2+]C[C@H](CO)Cc2ccccc2Br)CC1 ZINC000429431148 500077617 /nfs/dbraw/zinc/07/76/17/500077617.db2.gz SQAKOGLTTFMPQY-OAHLLOKOSA-N 2 0 369.347 3.064 20 0 FGADRP C[NH2+]C[C@@H]1CCN(C(=O)c2cccc(C[N@H+](C)Cc3ccccc3)c2)C1 ZINC000429450637 500080630 /nfs/dbraw/zinc/08/06/30/500080630.db2.gz WQMBJDWPFALXLD-FQEVSTJZSA-N 2 0 351.494 3.000 20 0 FGADRP C[C@H]([NH3+])c1ccc(CNC(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2)cc1 ZINC000429519379 500092137 /nfs/dbraw/zinc/09/21/37/500092137.db2.gz VWRMRJVEMCNIRQ-LAUBAEHRSA-N 2 0 351.494 3.377 20 0 FGADRP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+](C)[C@H]2CC[C@H](C)C2)CC1 ZINC000429564627 500104426 /nfs/dbraw/zinc/10/44/26/500104426.db2.gz FNOHXQFKGIVHNO-UWJYYQICSA-N 2 0 357.542 3.196 20 0 FGADRP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@@H+](C)[C@H]3CC[C@@H](C)C3)CC2)cc1 ZINC000429564811 500104463 /nfs/dbraw/zinc/10/44/63/500104463.db2.gz GPDIOYYPMFWRSJ-CTNGQTDRSA-N 2 0 357.542 3.150 20 0 FGADRP CC1(C)CC(NC(=O)N[C@@H](C[NH3+])c2ccc3ccccc3c2)CC(C)(C)[NH2+]1 ZINC000416788453 500121050 /nfs/dbraw/zinc/12/10/50/500121050.db2.gz BJMCDZWREDAALA-IBGZPJMESA-N 2 0 368.525 3.448 20 0 FGADRP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+]2CC[C@@H](C)C[C@H]2C)CC1 ZINC000425519383 500131762 /nfs/dbraw/zinc/13/17/62/500131762.db2.gz GGHUCSQCTQPMBG-IEBWSBKVSA-N 2 0 357.542 3.196 20 0 FGADRP CC(C)(C)CC[NH+]1CCN(C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1 ZINC000429725096 500132179 /nfs/dbraw/zinc/13/21/79/500132179.db2.gz ROOGLBYPZNLDKP-QFIPXVFZSA-N 2 0 373.585 3.331 20 0 FGADRP CC[NH2+]CC1CCN(C(=O)NCC2([NH+]3CCCCC3)CCCCC2)CC1 ZINC000416832354 500132956 /nfs/dbraw/zinc/13/29/56/500132956.db2.gz WHASQUPCBXLJBQ-UHFFFAOYSA-N 2 0 364.578 3.206 20 0 FGADRP C[C@@H]([NH3+])c1ccc(CNC(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2)cc1 ZINC000417644540 500135662 /nfs/dbraw/zinc/13/56/62/500135662.db2.gz AJPUHKOZRFJMOM-DYESRHJHSA-N 2 0 366.509 3.170 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1)c1ccccc1 ZINC000416849252 500137787 /nfs/dbraw/zinc/13/77/87/500137787.db2.gz XRABOTVTYAYCIL-NHCUHLMSSA-N 2 0 372.557 3.101 20 0 FGADRP COc1ccc([C@@H](C)[NH2+]Cc2ccc(N3CC[NH+](C)CC3)nc2)c(C)c1 ZINC000414053835 500140212 /nfs/dbraw/zinc/14/02/12/500140212.db2.gz BADKCJXBNLMRAD-QGZVFWFLSA-N 2 0 354.498 3.001 20 0 FGADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000417690768 500149270 /nfs/dbraw/zinc/14/92/70/500149270.db2.gz LRPFDIWMAKDHMU-YLJYHZDGSA-N 2 0 360.546 3.227 20 0 FGADRP CCC(CC)(CNC(=O)NC[C@@H]1CCC[NH2+]C1)[NH2+][C@@H](C)c1ccccc1 ZINC000417695340 500150558 /nfs/dbraw/zinc/15/05/58/500150558.db2.gz BDJCPBBXNQZJRP-ZWKOTPCHSA-N 2 0 360.546 3.195 20 0 FGADRP CCC(CC)(CNC(=O)N1CCC[C@@H]1C[NH2+]C)[NH2+][C@H](C)c1ccccc1 ZINC000417697800 500151237 /nfs/dbraw/zinc/15/12/37/500151237.db2.gz FMGJHOQRGCEXHK-IEBWSBKVSA-N 2 0 360.546 3.289 20 0 FGADRP C[C@H]([NH2+]C(C)(C)CNC(=O)NC[C@H]([NH3+])c1ccccc1)c1ccccc1 ZINC000417698497 500152011 /nfs/dbraw/zinc/15/20/11/500152011.db2.gz GIVUOCJUFXPGCF-LPHOPBHVSA-N 2 0 354.498 3.115 20 0 FGADRP C[C@H]([NH2+]C1(CNC(=O)N(C2CC2)[C@H]2CC[NH2+]C2)CCCC1)c1ccccc1 ZINC000417703668 500152699 /nfs/dbraw/zinc/15/26/99/500152699.db2.gz LVWWDOITOZIDDH-PXNSSMCTSA-N 2 0 370.541 3.186 20 0 FGADRP CCC(CC)(CNC(=O)N1C[C@H](C[NH3+])C[C@@H]1C)[NH2+][C@@H](C)c1ccccc1 ZINC000417704777 500153232 /nfs/dbraw/zinc/15/32/32/500153232.db2.gz MTNVCPFODSIZLC-BZSNNMDCSA-N 2 0 360.546 3.275 20 0 FGADRP CCC(CC)(CNC(=O)N(C1CC1)[C@@H]1CC[NH2+]C1)[NH2+][C@H](C)c1ccccc1 ZINC000417705737 500153591 /nfs/dbraw/zinc/15/35/91/500153591.db2.gz NUOZHJIYSFIATL-YLJYHZDGSA-N 2 0 372.557 3.432 20 0 FGADRP C[C@@H]([NH2+]C1(CNC(=O)N2CCC[C@H](CC[NH3+])C2)CCCC1)c1ccccc1 ZINC000417706450 500153675 /nfs/dbraw/zinc/15/36/75/500153675.db2.gz OVOWESQVQNGFIH-RTBURBONSA-N 2 0 372.557 3.420 20 0 FGADRP C[C@H]([NH2+]C1(CNC(=O)NC[C@H]2CCC[C@@H]([NH3+])C2)CCCC1)c1ccccc1 ZINC000417708203 500154003 /nfs/dbraw/zinc/15/40/03/500154003.db2.gz RLLXGJUFSZJHAT-CMKODMSKSA-N 2 0 372.557 3.467 20 0 FGADRP COc1ccc([C@H]([NH2+]C[C@@H](C(C)C)N2CC[NH+](C)CC2)C2CC2)c(F)c1 ZINC000421818580 500158187 /nfs/dbraw/zinc/15/81/87/500158187.db2.gz BNQGXFSCWPOKFS-LEWJYISDSA-N 2 0 363.521 3.147 20 0 FGADRP Clc1cccc(-c2noc(CC[N@@H+]3CCCC[C@@H]3[C@H]3CC[NH2+]C3)n2)c1 ZINC000579455042 506179376 /nfs/dbraw/zinc/17/93/76/506179376.db2.gz NWGJCATYCXLBHL-DOTOQJQBSA-N 2 0 360.889 3.397 20 0 FGADRP CCN1CC[NH+](CCCC[NH2+][C@H](C)Cc2ccc(F)cc2Cl)CC1 ZINC000421822052 500159468 /nfs/dbraw/zinc/15/94/68/500159468.db2.gz VOISZINBXBFRTF-MRXNPFEDSA-N 2 0 355.929 3.417 20 0 FGADRP COc1ccc([C@H]([NH2+]CCCC[N@@H+]2CCC[C@H]2CO)C(C)C)c(F)c1 ZINC000421830464 500161244 /nfs/dbraw/zinc/16/12/44/500161244.db2.gz JYAOGLKBHSIRAD-OXJNMPFZSA-N 2 0 352.494 3.358 20 0 FGADRP C[C@@H](CCC[NH3+])NC(=O)NCc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000416946287 500163537 /nfs/dbraw/zinc/16/35/37/500163537.db2.gz ARNQLFFLTKMMSM-KRWDZBQOSA-N 2 0 368.525 3.342 20 0 FGADRP CCCN1C[C@H](C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)CC1=O ZINC000421848861 500163608 /nfs/dbraw/zinc/16/36/08/500163608.db2.gz AQEPIGTWLBCWDG-KJJMTIBFSA-N 2 0 369.553 3.278 20 0 FGADRP C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)NCCC[C@@H]2CCC[NH2+]2)C1 ZINC000416966945 500168538 /nfs/dbraw/zinc/16/85/38/500168538.db2.gz GAIJTGULSHUZNJ-RXVVDRJESA-N 2 0 372.557 3.250 20 0 FGADRP C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)NCCC[C@@H]3CCC[NH2+]3)cc2)C1 ZINC000416966271 500168795 /nfs/dbraw/zinc/16/87/95/500168795.db2.gz FMJVPSODGIFNSN-RXVVDRJESA-N 2 0 372.557 3.250 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)NCCC[NH2+]C2CC2)cc1 ZINC000416969765 500169895 /nfs/dbraw/zinc/16/98/95/500169895.db2.gz CHKOGYDIVBJXKW-QGZVFWFLSA-N 2 0 358.530 3.002 20 0 FGADRP C[C@@H]([NH3+])[C@H]1CCCN(C(=O)NCc2ccc(C[NH+]3CCC(C)CC3)cc2)C1 ZINC000416973339 500171191 /nfs/dbraw/zinc/17/11/91/500171191.db2.gz JSGMFVDMTUBGRH-NQIIRXRSSA-N 2 0 372.557 3.187 20 0 FGADRP C[C@@H]1C[C@H](NC(=O)NCc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)CC[NH2+]1 ZINC000416974433 500172055 /nfs/dbraw/zinc/17/20/55/500172055.db2.gz LJODBSHUVURITF-MBOZVWFJSA-N 2 0 358.530 3.001 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CSc3ccccc3O2)[C@@H](C)C1 ZINC000582300863 506180443 /nfs/dbraw/zinc/18/04/43/506180443.db2.gz GXACUPFIUHHUMF-KSZLIROESA-N 2 0 364.555 3.266 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)NC[C@H]1CC[C@H](C[NH3+])CC1)c1ccsc1 ZINC000417011784 500183515 /nfs/dbraw/zinc/18/35/15/500183515.db2.gz UARATRBYAJETNJ-BQFCYCMXSA-N 2 0 366.575 3.195 20 0 FGADRP CCCC[N@H+](CC)Cc1cccc(CNC(=O)N(C)C2CC[NH2+]CC2)c1 ZINC000417866205 500187026 /nfs/dbraw/zinc/18/70/26/500187026.db2.gz AAVDMDFFSBHQOG-UHFFFAOYSA-N 2 0 360.546 3.202 20 0 FGADRP C[C@H]([NH3+])c1ccc(CNC(=O)N[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)cc1 ZINC000417866125 500187036 /nfs/dbraw/zinc/18/70/36/500187036.db2.gz DBTROSUEIZYLEN-WWMYMODYSA-N 2 0 366.509 3.169 20 0 FGADRP C[C@H]([NH3+])c1ccc(CNC(=O)N[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)cc1 ZINC000417866123 500187222 /nfs/dbraw/zinc/18/72/22/500187222.db2.gz DBTROSUEIZYLEN-LLGFUMIMSA-N 2 0 366.509 3.169 20 0 FGADRP CC(C)C[C@H](CNC(=O)N[C@H](C)[C@H]1CCC[NH2+]C1)[NH2+][C@H](C)c1ccccc1 ZINC000417867163 500187660 /nfs/dbraw/zinc/18/76/60/500187660.db2.gz FEWMKXBLYBKFOD-RMVXJAJNSA-N 2 0 374.573 3.439 20 0 FGADRP CC(C)C[C@@H](CNC(=O)N(C)C1CC[NH2+]CC1)[NH2+][C@@H](C)c1ccccc1 ZINC000417867719 500187685 /nfs/dbraw/zinc/18/76/85/500187685.db2.gz FRJFVFDYKRWAJJ-HKUYNNGSSA-N 2 0 360.546 3.145 20 0 FGADRP CC(C)C[C@@H](CNC(=O)N1CCC(C[NH3+])CC1)[NH2+][C@H](C)c1ccccc1 ZINC000417874290 500188914 /nfs/dbraw/zinc/18/89/14/500188914.db2.gz NADYAEMPLWEMCW-XLIONFOSSA-N 2 0 360.546 3.132 20 0 FGADRP OCC1([NH2+]CC2CC2)CCN(Cc2ccccc2Oc2cccnc2)CC1 ZINC000582304368 506181663 /nfs/dbraw/zinc/18/16/63/506181663.db2.gz LSEWXYSQZOHNQG-UHFFFAOYSA-N 2 0 367.493 3.200 20 0 FGADRP CCC1(CNC(=O)N[C@@H]2CC[C@H](C[NH3+])C2)CC[NH+](Cc2ccccc2)CC1 ZINC000417916093 500197425 /nfs/dbraw/zinc/19/74/25/500197425.db2.gz CQICYQSPXPHBAD-VQTJNVASSA-N 2 0 372.557 3.105 20 0 FGADRP C[C@@H]1C[C@@H](CCNC(=O)NCCC[C@H]2CCC[NH2+]2)C[N@@H+]1Cc1ccccc1 ZINC000417933068 500199896 /nfs/dbraw/zinc/19/98/96/500199896.db2.gz XEVCJBKWVUIJKC-HMXCVIKNSA-N 2 0 372.557 3.119 20 0 FGADRP CCn1cncc1C[NH2+]CCc1ccc(OCC[NH+]2C[C@H](C)[C@@H](C)C2)cc1 ZINC000417978523 500208369 /nfs/dbraw/zinc/20/83/69/500208369.db2.gz YKUBDMKQECCIRI-OALUTQOASA-N 2 0 370.541 3.202 20 0 FGADRP c1c(C[NH2+][C@H]2CCC[C@@H]2OCc2ccccc2)onc1C1CC[NH2+]CC1 ZINC000425895176 500208892 /nfs/dbraw/zinc/20/88/92/500208892.db2.gz IBWXUXDBQGGJDN-FPOVZHCZSA-N 2 0 355.482 3.369 20 0 FGADRP C[C@H](C[NH2+][C@H](C)CC(=O)Nc1ccc(OC(F)(F)F)cc1)C[NH+](C)C ZINC000425933790 500213491 /nfs/dbraw/zinc/21/34/91/500213491.db2.gz WVRSOKUNPSHODN-CHWSQXEVSA-N 2 0 361.408 3.090 20 0 FGADRP O=C(NCc1cccc(C[NH+]2CCCCCC2)c1)[C@H]1CCC[N@@H+]1C1CC1 ZINC000426089981 500234527 /nfs/dbraw/zinc/23/45/27/500234527.db2.gz IRRQPBCIOWPJRK-OAQYLSRUSA-N 2 0 355.526 3.306 20 0 FGADRP CCC([NH3+])(CC)CNC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000418159858 500239287 /nfs/dbraw/zinc/23/92/87/500239287.db2.gz RKMRFLKFROZPMN-SFHVURJKSA-N 2 0 360.546 3.104 20 0 FGADRP C[C@H](CC[NH+](C)C)NC(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000426134226 500239870 /nfs/dbraw/zinc/23/98/70/500239870.db2.gz SHELQQBNHFSQKO-QGZVFWFLSA-N 2 0 362.518 3.013 20 0 FGADRP CC(C)Cc1ccc([C@@H](CNC(=O)N2CCC([C@@H](C)[NH3+])CC2)[NH+](C)C)cc1 ZINC000418188232 500245530 /nfs/dbraw/zinc/24/55/30/500245530.db2.gz GEPSLVCXNKINID-DYESRHJHSA-N 2 0 374.573 3.257 20 0 FGADRP C[C@H](NC(=O)N[C@@H](CCC[NH3+])c1ccccc1)[C@H](c1ccccc1)[NH+](C)C ZINC000418190125 500245879 /nfs/dbraw/zinc/24/58/79/500245879.db2.gz WBMGJUDWUPRXPN-DZFGPLHGSA-N 2 0 368.525 3.457 20 0 FGADRP CC(C)Cc1ccc([C@H](CNC(=O)N2CC[C@H](C)[C@@H](C[NH3+])C2)[NH+](C)C)cc1 ZINC000418198231 500247871 /nfs/dbraw/zinc/24/78/71/500247871.db2.gz UYODJDVQMYCNHB-YYWHXJBOSA-N 2 0 374.573 3.114 20 0 FGADRP CCc1ccc([C@H](CNC(=O)N[C@H]2CC[C@H](C[NH3+])C2)[NH+](CC)CC)cc1 ZINC000418211835 500249648 /nfs/dbraw/zinc/24/96/48/500249648.db2.gz IUXVECJSJYYKFQ-IHPCNDPISA-N 2 0 360.546 3.059 20 0 FGADRP CC[NH2+]CC1CC[NH+](CC(=O)N(C)[C@@H](C)c2cc3ccccc3o2)CC1 ZINC000430577119 500257255 /nfs/dbraw/zinc/25/72/55/500257255.db2.gz UJHOBDSWFCOXDJ-INIZCTEOSA-N 2 0 357.498 3.274 20 0 FGADRP CC(C)c1ccc([C@@H]([NH3+])CNC(=O)N2CC[C@H](C[N@H+](C)CC3CC3)C2)cc1 ZINC000418317790 500261362 /nfs/dbraw/zinc/26/13/62/500261362.db2.gz BCXFPYDJLBEMDZ-NQIIRXRSSA-N 2 0 372.557 3.183 20 0 FGADRP C[C@H](c1ccc2ccccc2c1)[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430642362 500265132 /nfs/dbraw/zinc/26/51/32/500265132.db2.gz JZLWNKFYZZXLQQ-UTKZUKDTSA-N 2 0 351.494 3.045 20 0 FGADRP CC(C)c1ccc([C@H]([NH3+])CNC(=O)NCc2ccc([C@@H](C)[NH3+])cc2)cc1 ZINC000418357099 500268291 /nfs/dbraw/zinc/26/82/91/500268291.db2.gz QMQWUCMSOPTWMU-FOIQADDNSA-N 2 0 354.498 3.329 20 0 FGADRP C[C@@H]([NH2+]C1(CNC(=O)[C@@H]2CCC[N@@H+]2C2CC2)CCCC1)c1ccccc1 ZINC000426413487 500270466 /nfs/dbraw/zinc/27/04/66/500270466.db2.gz WWDUZCUOTOCZRG-XLIONFOSSA-N 2 0 355.526 3.393 20 0 FGADRP CC[NH+](CC)CCN(Cc1ccccc1)C(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000418405595 500272995 /nfs/dbraw/zinc/27/29/95/500272995.db2.gz BJJBEHLWGJLMKJ-OAQYLSRUSA-N 2 0 368.525 3.240 20 0 FGADRP CC[N@H+](CCC1CCN(C(=O)NC[C@@H]([NH3+])c2ccccc2)CC1)CC(C)C ZINC000418426054 500274852 /nfs/dbraw/zinc/27/48/52/500274852.db2.gz JEBNXMZHGKQUTN-OAQYLSRUSA-N 2 0 374.573 3.476 20 0 FGADRP CC[C@@H]1CC[C@H](C)C[C@@H]1[NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000430719457 500274942 /nfs/dbraw/zinc/27/49/42/500274942.db2.gz FHGDFVWWGPRYIM-UHOSZYNNSA-N 2 0 351.579 3.418 20 0 FGADRP O=C(C[N@@H+]1CC[C@H]2CCC[C@@H]21)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000426460346 500275102 /nfs/dbraw/zinc/27/51/02/500275102.db2.gz NNSBAJBNOPVOAJ-MJGOQNOKSA-N 2 0 359.539 3.048 20 0 FGADRP C[C@@H]([NH3+])c1ccc(CNC(=O)N[C@H](C[NH+](C)C)c2ccc(Cl)cc2)cc1 ZINC000418485315 500282069 /nfs/dbraw/zinc/28/20/69/500282069.db2.gz GXMPDEXKZXIABU-AUUYWEPGSA-N 2 0 374.916 3.462 20 0 FGADRP C[C@H](CC[NH3+])NC(=O)N1CC(C)(C)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000418519285 500287314 /nfs/dbraw/zinc/28/73/14/500287314.db2.gz GGTDJANHPVXFKH-XLIONFOSSA-N 2 0 372.557 3.056 20 0 FGADRP COc1ccc(C[NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)cc1OC1CCCC1 ZINC000422713150 500288419 /nfs/dbraw/zinc/28/84/19/500288419.db2.gz PHIUFZHDFBRDLP-HSALFYBXSA-N 2 0 374.525 3.263 20 0 FGADRP CN(C)[C@H](C[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ccc(F)cc1 ZINC000422714060 500288614 /nfs/dbraw/zinc/28/86/14/500288614.db2.gz QNVJUEXPQHSYRE-KCZVDYSFSA-N 2 0 369.484 3.274 20 0 FGADRP CC[N@H+](CCC1CCN(C(=O)NC[C@@]2(C)CCC[NH2+]C2)CC1)CC(C)C ZINC000418538545 500288861 /nfs/dbraw/zinc/28/88/61/500288861.db2.gz KZYWCBKJAVFAPN-NRFANRHFSA-N 2 0 366.594 3.166 20 0 FGADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000422717805 500289643 /nfs/dbraw/zinc/28/96/43/500289643.db2.gz PDZAWJOVPGVOFB-YLJYHZDGSA-N 3 0 352.526 3.064 20 0 FGADRP CSc1nnc(CCC[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)n1CC(C)C ZINC000422725981 500290859 /nfs/dbraw/zinc/29/08/59/500290859.db2.gz CWYNTAVMMQYAKV-IAGOWNOFSA-N 2 0 359.543 3.323 20 0 FGADRP COc1ccc(C[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1OC ZINC000422730809 500291317 /nfs/dbraw/zinc/29/13/17/500291317.db2.gz KLKDPCFGXWEXIA-DYESRHJHSA-N 2 0 354.450 3.049 20 0 FGADRP C[C@@H]1CCC[C@](CN[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)([NH+](C)C)C1 ZINC000422738417 500292609 /nfs/dbraw/zinc/29/26/09/500292609.db2.gz JBLBUSFGKCLXOT-QTPAZIJBSA-N 2 0 357.542 3.342 20 0 FGADRP COc1cc(C[NH2+][C@@H]2CCOC[C@H]2[C@H](C)[NH3+])ccc1OCc1ccccc1 ZINC000422760143 500294335 /nfs/dbraw/zinc/29/43/35/500294335.db2.gz GESGNLXGBJBWCI-FFZOFVMBSA-N 2 0 370.493 3.116 20 0 FGADRP CCCN(C(=O)N[C@@H]1CC[NH2+][C@H](C)C1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000418612765 500296633 /nfs/dbraw/zinc/29/66/33/500296633.db2.gz VYJGGFNEHVTSCS-HMXCVIKNSA-N 2 0 372.557 3.213 20 0 FGADRP C[C@H](C[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)Oc1ccc(F)cc1 ZINC000422778767 500296746 /nfs/dbraw/zinc/29/67/46/500296746.db2.gz AXPMQSNJOGPAFA-MFMILTCTSA-N 2 0 356.441 3.439 20 0 FGADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]CC1(c2cccc(C(F)(F)F)c2)CCC1 ZINC000422786074 500297745 /nfs/dbraw/zinc/29/77/45/500297745.db2.gz OERUJCPKGPDERA-XKQJLSEDSA-N 2 0 356.432 3.469 20 0 FGADRP COc1cc(Cl)c(C)cc1NC(=O)CC[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000422826951 500302457 /nfs/dbraw/zinc/30/24/57/500302457.db2.gz RRBLLRBVHHOEQH-DZGCQCFKSA-N 2 0 353.894 3.093 20 0 FGADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000418664240 500304222 /nfs/dbraw/zinc/30/42/22/500304222.db2.gz IOCANGPEFPBGKK-IYARVYRRSA-N 2 0 360.546 3.045 20 0 FGADRP CCN(C(=O)N[C@H](C)CCCC[NH3+])[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000418681751 500307061 /nfs/dbraw/zinc/30/70/61/500307061.db2.gz ZCAUIYZNKITSME-HBFSDRIKSA-N 2 0 360.546 3.371 20 0 FGADRP CCOC(=O)C1([C@@H](C)[NH2+][C@@H](C)c2nc(C(C)(C)C)cs2)CC[NH2+]CC1 ZINC000422864212 500307313 /nfs/dbraw/zinc/30/73/13/500307313.db2.gz UPTQLAHPDUQWEF-UONOGXRCSA-N 2 0 367.559 3.413 20 0 FGADRP C[NH2+]CC1CC[NH+](CC(=O)N[C@H](C)c2ccc(Cl)cc2Cl)CC1 ZINC000430927622 500308442 /nfs/dbraw/zinc/30/84/42/500308442.db2.gz JAMTWDJEUSWQDS-GFCCVEGCSA-N 2 0 358.313 3.102 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000422874812 500309076 /nfs/dbraw/zinc/30/90/76/500309076.db2.gz DGFHINUXFQRWBU-TWHAJKEOSA-N 3 0 371.569 3.308 20 0 FGADRP C[NH2+]CC1CC[NH+](CC(=O)N2CCC(CCc3ccc(C)cc3)CC2)CC1 ZINC000430936077 500309987 /nfs/dbraw/zinc/30/99/87/500309987.db2.gz WWQRMBSQIWXALO-UHFFFAOYSA-N 2 0 371.569 3.098 20 0 FGADRP C[C@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)N1CC[C@H]([NH3+])[C@H](C)C1 ZINC000430940201 500310534 /nfs/dbraw/zinc/31/05/34/500310534.db2.gz JESSHLGCRPWUGR-RULNRJAQSA-N 2 0 363.811 3.355 20 0 FGADRP C[C@H](C[C@H]1COCCN1)[NH2+]Cc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000422892054 500311350 /nfs/dbraw/zinc/31/13/50/500311350.db2.gz LWSXYYQAJKBPSC-MOXWOTFGSA-N 2 0 359.558 3.021 20 0 FGADRP C[C@@H]([NH3+])C1CC[NH+](CC(=O)N[C@H](c2ccc(F)cc2)C2CCCC2)CC1 ZINC000430945907 500311481 /nfs/dbraw/zinc/31/14/81/500311481.db2.gz YNWYHYNEWYZESG-VFNWGFHPSA-N 2 0 361.505 3.232 20 0 FGADRP CC[NH2+]CC1CCN(C(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000422896030 500312383 /nfs/dbraw/zinc/31/23/83/500312383.db2.gz XGPYOSFRUDROOK-UHFFFAOYSA-N 2 0 357.542 3.137 20 0 FGADRP CC[C@@H]([NH2+]C[C@H]1CCN(c2cccc(Br)c2)C1)[C@@H]1CCC[NH2+]1 ZINC000422899691 500312929 /nfs/dbraw/zinc/31/29/29/500312929.db2.gz OXLJXSJPTAIPOR-OLMNPRSZSA-N 2 0 366.347 3.396 20 0 FGADRP C[C@H]1C[C@@H]([NH+]2CCCC2)CN1Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000573407243 506188742 /nfs/dbraw/zinc/18/87/42/506188742.db2.gz INORBAOQJZKIEN-SIKLNZKXSA-N 2 0 370.585 3.276 20 0 FGADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCc1nc(-c2ccncc2)cs1 ZINC000422907979 500314832 /nfs/dbraw/zinc/31/48/32/500314832.db2.gz CNRDFWUFDBSMAM-MAUKXSAKSA-N 2 0 352.507 3.296 20 0 FGADRP Clc1ccc(OCCCC[NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000422937746 500320058 /nfs/dbraw/zinc/32/00/58/500320058.db2.gz OOIDXBYUHZZLFV-CEXWTWQISA-N 2 0 352.906 3.246 20 0 FGADRP C[C@H](CC(=O)Nc1ccc(OCC[N@@H+]2CC[C@H](C)C2)cc1)C1CC[NH2+]CC1 ZINC000431014526 500323195 /nfs/dbraw/zinc/32/31/95/500323195.db2.gz KAZQZVHGNYBZCP-ZWKOTPCHSA-N 2 0 373.541 3.372 20 0 FGADRP C[NH+](C)C1CCN(c2ccc(N[C@@H]3CCC[C@@H]3[C@@H]3CCCC[NH2+]3)nc2)CC1 ZINC000422958040 500323991 /nfs/dbraw/zinc/32/39/91/500323991.db2.gz WUAWNCHLDBYODE-QHAWAJNXSA-N 2 0 371.573 3.335 20 0 FGADRP Brc1cccc(NCC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)c1 ZINC000422962578 500324500 /nfs/dbraw/zinc/32/45/00/500324500.db2.gz GFBLPGGRUZZMON-GVDBMIGSSA-N 2 0 352.320 3.371 20 0 FGADRP Brc1cccc(NCC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000422962576 500324656 /nfs/dbraw/zinc/32/46/56/500324656.db2.gz GFBLPGGRUZZMON-BBWFWOEESA-N 2 0 352.320 3.371 20 0 FGADRP CC(C)Cc1ccc([C@@H](C)NC(=O)C[NH+]2CCC3(CC[NH2+]C3)CC2)cc1 ZINC000431022932 500324794 /nfs/dbraw/zinc/32/47/94/500324794.db2.gz PLIKGLHQUUAASJ-GOSISDBHSA-N 2 0 357.542 3.138 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)[C@H]([NH3+])C(C)C)c1ccc(C(F)(F)F)cc1 ZINC000431038764 500326931 /nfs/dbraw/zinc/32/69/31/500326931.db2.gz DYSJPLFCEAZMNQ-HZPDHXFCSA-N 2 0 359.436 3.188 20 0 FGADRP COc1ccc(COCC[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422986722 500327406 /nfs/dbraw/zinc/32/74/06/500327406.db2.gz HEPXKKYAPXLAID-RBBKRZOGSA-N 2 0 368.477 3.057 20 0 FGADRP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]C[C@@H](C)c1nc(-c2ccccc2)no1 ZINC000423016573 500330796 /nfs/dbraw/zinc/33/07/96/500330796.db2.gz UAHFHVJFTDVXQQ-GPMSIDNRSA-N 2 0 350.466 3.388 20 0 FGADRP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]C[C@@H](C)c1nc(-c2ccccc2)no1 ZINC000423016575 500331635 /nfs/dbraw/zinc/33/16/35/500331635.db2.gz UAHFHVJFTDVXQQ-MDZRGWNJSA-N 2 0 350.466 3.388 20 0 FGADRP COc1ccc(C[C@H](C)C[NH2+][C@@H](C)c2ccc(C[NH3+])nc2C)cc1OC ZINC000423027255 500332768 /nfs/dbraw/zinc/33/27/68/500332768.db2.gz REKNKTZRXILZDV-GJZGRUSLSA-N 2 0 357.498 3.395 20 0 FGADRP Cc1cc(Br)cn2cc(CC[NH2+][C@@H]3CCCCC[C@H]3[NH3+])nc12 ZINC000423036473 500333578 /nfs/dbraw/zinc/33/35/78/500333578.db2.gz LDDUMHZQKVKESC-HZPDHXFCSA-N 2 0 365.319 3.197 20 0 FGADRP COc1cc(Br)ccc1CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423039016 500333909 /nfs/dbraw/zinc/33/39/09/500333909.db2.gz ZSUNXZQEKJCWOO-XYPWUTKMSA-N 2 0 353.304 3.263 20 0 FGADRP FC(F)(F)COc1ccc(CC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)cn1 ZINC000423046882 500335002 /nfs/dbraw/zinc/33/50/02/500335002.db2.gz FHKDUAYEYZQJSV-YESZJQIVSA-N 2 0 371.447 3.466 20 0 FGADRP C[C@H](CCC[NH3+])[NH2+][C@@H](CO)c1ccc(Br)cc1C(F)(F)F ZINC000423099357 500341964 /nfs/dbraw/zinc/34/19/64/500341964.db2.gz TXOVNJBBLDNXKP-RNCFNFMXSA-N 2 0 369.225 3.218 20 0 FGADRP C[C@H](CCC[NH3+])[NH2+][C@@H](C)CCc1ccc(I)cc1 ZINC000423106334 500343092 /nfs/dbraw/zinc/34/30/92/500343092.db2.gz ZQPJJGWQRCFINC-OLZOCXBDSA-N 2 0 360.283 3.329 20 0 FGADRP CCOC(=O)C1([C@@H](C)[NH2+][C@H](C)c2ccccc2SC)CC[NH2+]CC1 ZINC000423108821 500343517 /nfs/dbraw/zinc/34/35/17/500343517.db2.gz GNIGXGJVFMQLLR-HUUCEWRRSA-N 2 0 350.528 3.381 20 0 FGADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000423111104 500343997 /nfs/dbraw/zinc/34/39/97/500343997.db2.gz VUMPXYSZNSLBBU-INIZCTEOSA-N 3 0 368.525 3.173 20 0 FGADRP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@@H]1CCCN(C(=O)CCC(F)(F)F)C1 ZINC000423112954 500344100 /nfs/dbraw/zinc/34/41/00/500344100.db2.gz SYNSPIBYKWKORW-ARFHVFGLSA-N 2 0 363.468 3.220 20 0 FGADRP CCOC(=O)C1([C@H](C)[NH2+]CCc2ccc(Cl)c(C)c2)CC[NH2+]CC1 ZINC000423132087 500346612 /nfs/dbraw/zinc/34/66/12/500346612.db2.gz BMUCEPYGIURZHY-HNNXBMFYSA-N 2 0 352.906 3.102 20 0 FGADRP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CN[C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000423190545 500353622 /nfs/dbraw/zinc/35/36/22/500353622.db2.gz SAIRUQLSFGNMPB-YJSIEXFISA-N 2 0 365.521 3.258 20 0 FGADRP Fc1ccc([C@@H]([NH2+]CCCN2CC[NH2+]CC2)c2ccc(Cl)cc2)cc1 ZINC000423192568 500354344 /nfs/dbraw/zinc/35/43/44/500354344.db2.gz WAAFLJNZMZGPPC-FQEVSTJZSA-N 2 0 361.892 3.453 20 0 FGADRP C[C@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)c1ccc(I)cc1 ZINC000423322085 500363889 /nfs/dbraw/zinc/36/38/89/500363889.db2.gz GWSMIKDNJWRZCT-WFASDCNBSA-N 2 0 358.267 3.332 20 0 FGADRP Cc1cc(NC(=O)[C@H]2CCC[N@H+](Cc3cccnc3)C2)ccc1C[NH+](C)C ZINC000573422337 506191377 /nfs/dbraw/zinc/19/13/77/506191377.db2.gz ALDFXDLYNWCODI-FQEVSTJZSA-N 2 0 366.509 3.302 20 0 FGADRP C[C@@H]([NH3+])c1ccc(C(=O)NCC2CC[NH+](Cc3cccs3)CC2)cc1 ZINC000423355591 500366833 /nfs/dbraw/zinc/36/68/33/500366833.db2.gz IIRDCBFCRVWNKM-OAHLLOKOSA-N 2 0 357.523 3.410 20 0 FGADRP C[C@H]1[NH2+]CCC[C@@H]1C(=O)NCc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000423353799 500367086 /nfs/dbraw/zinc/36/70/86/500367086.db2.gz MKGWWSDQQNDJGR-UTKZUKDTSA-N 2 0 357.542 3.455 20 0 FGADRP CC(C)n1ccc(C[C@@H](C)[NH2+][C@H]2CNCC[C@H]2c2ccc(F)c(F)c2)n1 ZINC000423372008 500368171 /nfs/dbraw/zinc/36/81/71/500368171.db2.gz QTJIBYWJDNIYDI-LIVBEALHSA-N 2 0 362.468 3.409 20 0 FGADRP C[C@H]([NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1cc2ccccc2s1 ZINC000423394847 500370490 /nfs/dbraw/zinc/37/04/90/500370490.db2.gz SEOLIHNTZULZFY-LRDDRELGSA-N 2 0 357.445 3.388 20 0 FGADRP CC(C)[C@H](C(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2)[C@@H](C)[NH3+] ZINC000423396091 500370521 /nfs/dbraw/zinc/37/05/21/500370521.db2.gz RGXDUJVUONNUIN-CBQOVEMMSA-N 2 0 357.542 3.121 20 0 FGADRP Cc1ccc2cc([C@H](C)[NH2+]C[C@@H](N3CC[NH2+]CC3)C(F)(F)F)oc2c1 ZINC000423402582 500370919 /nfs/dbraw/zinc/37/09/19/500370919.db2.gz YMFWUORUHKGXPK-SUMWQHHRSA-N 2 0 355.404 3.228 20 0 FGADRP COCC1(C[NH2+][C@@H]2CCCSc3ccc(OC)cc32)CC[NH2+]CC1 ZINC000423407203 500371212 /nfs/dbraw/zinc/37/12/12/500371212.db2.gz LXVMBCZHDSSCNK-QGZVFWFLSA-N 2 0 350.528 3.228 20 0 FGADRP C[C@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]Cc1cccc2c1CCCN2 ZINC000423408592 500371843 /nfs/dbraw/zinc/37/18/43/500371843.db2.gz ALHPGXHKIKTHBS-UWJYYQICSA-N 2 0 350.510 3.440 20 0 FGADRP COC[C@]1(CN[C@@H](c2ccc(Br)cc2F)C2CC2)CCC[NH2+]1 ZINC000423408977 500371933 /nfs/dbraw/zinc/37/19/33/500371933.db2.gz BFKDKFXVRKCYTG-IAGOWNOFSA-N 2 0 371.294 3.398 20 0 FGADRP COCC1(C[NH2+][C@@H](Cc2ccccc2Cl)[C@H]2CCCO2)CC[NH2+]CC1 ZINC000423413155 500372495 /nfs/dbraw/zinc/37/24/95/500372495.db2.gz YLHUUZCSOOSOAG-RBUKOAKNSA-N 2 0 366.933 3.036 20 0 FGADRP c1ccc(C[N@@H+]2CC[C@H]([NH2+][C@@H]3C[C@H]3C3CC[NH2+]CC3)[C@@H]3CCC[C@H]32)cc1 ZINC000423445081 500375675 /nfs/dbraw/zinc/37/56/75/500375675.db2.gz XHGBFZJMZRHDMF-IACLWVNRSA-N 3 0 353.554 3.407 20 0 FGADRP CCc1ccccc1[C@H]([NH3+])CN[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423495354 500379275 /nfs/dbraw/zinc/37/92/75/500379275.db2.gz BWRQLUAMIUBLIX-URVUXULASA-N 2 0 351.494 3.094 20 0 FGADRP CC1CC[NH+]([C@H](CNC(=O)C[C@H]2CCC[NH2+]CC2)c2cccs2)CC1 ZINC000427311422 500379927 /nfs/dbraw/zinc/37/99/27/500379927.db2.gz AVZCEMYZAMYJKX-ZWKOTPCHSA-N 2 0 363.571 3.417 20 0 FGADRP CC(=O)NCCc1ccc([C@@H](C)[NH2+]CC2([NH3+])C3CC4CC(C3)CC2C4)cc1 ZINC000423517822 500380969 /nfs/dbraw/zinc/38/09/69/500380969.db2.gz BZAHUYJBTVEQSL-TUSCSMAOSA-N 2 0 369.553 3.169 20 0 FGADRP Clc1cccc2c1OCCC[C@@H]2[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000423512630 500381006 /nfs/dbraw/zinc/38/10/06/500381006.db2.gz PAAFOLZMVONURV-RJYAGPCLSA-N 2 0 363.933 3.360 20 0 FGADRP C[C@H]([NH2+][C@H](CCC[NH3+])c1ccccc1)c1ccc(NS(C)(=O)=O)cc1 ZINC000423515209 500381309 /nfs/dbraw/zinc/38/13/09/500381309.db2.gz XDKOXUGESOEQRR-HNAYVOBHSA-N 2 0 361.511 3.189 20 0 FGADRP C[C@@H]([NH2+]CCC1=CC[NH2+]CC1)c1ccc(I)cc1 ZINC000423545052 500383517 /nfs/dbraw/zinc/38/35/17/500383517.db2.gz DPAZLKYWNWINRC-GFCCVEGCSA-N 2 0 356.251 3.252 20 0 FGADRP C[C@H](Cc1ccc(F)cc1Br)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000423564017 500384816 /nfs/dbraw/zinc/38/48/16/500384816.db2.gz XRZCLKYZODUJFE-UZMCECQYSA-N 2 0 355.295 3.497 20 0 FGADRP C[C@H](NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1)c1ccc(Cl)cn1 ZINC000423579941 500387030 /nfs/dbraw/zinc/38/70/30/500387030.db2.gz XBOYRCHWAOAUEU-INIZCTEOSA-N 2 0 358.917 3.379 20 0 FGADRP COc1cccc([C@H](CNC(=O)C[C@H](c2ccccc2)[NH+](C)C)[NH+](C)C)c1 ZINC000431560167 500392374 /nfs/dbraw/zinc/39/23/74/500392374.db2.gz YHJCMBFKJBWGAY-RTWAWAEBSA-N 2 0 369.509 3.107 20 0 FGADRP C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)N[C@@H](CC[NH3+])C(F)F)c1 ZINC000423674581 500393703 /nfs/dbraw/zinc/39/37/03/500393703.db2.gz GYMAQOLXCLMRFA-SFHVURJKSA-N 2 0 361.436 3.031 20 0 FGADRP CCC[NH+](CCC)CCCC(=O)Nc1cc(C)nn1C1CC[NH+](C)CC1 ZINC000431585331 500395009 /nfs/dbraw/zinc/39/50/09/500395009.db2.gz FIPJKSXIKFUXKH-UHFFFAOYSA-N 2 0 363.550 3.299 20 0 FGADRP C[NH2+]C[C@H](C)C(=O)N(CCC[NH+](C)C)Cc1ccc(Cl)c(Cl)c1 ZINC000423739000 500398059 /nfs/dbraw/zinc/39/80/59/500398059.db2.gz CNTHQXMIVZDGSL-ZDUSSCGKSA-N 2 0 360.329 3.129 20 0 FGADRP CC(C)CC[NH+]1CCC(CNC(=O)NC[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC000431622338 500399534 /nfs/dbraw/zinc/39/95/34/500399534.db2.gz FWNAZGNKJCTKOT-HXUWFJFHSA-N 2 0 366.594 3.164 20 0 FGADRP CC(C)CC[NH+]1CCC(CNC(=O)NCC[N@H+](C)Cc2ccccc2)CC1 ZINC000431623670 500399997 /nfs/dbraw/zinc/39/99/97/500399997.db2.gz SVPZPYNWUMEVKQ-UHFFFAOYSA-N 2 0 374.573 3.176 20 0 FGADRP O=C(CC[C@@H]1CCC[NH2+]1)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000423898528 500417283 /nfs/dbraw/zinc/41/72/83/500417283.db2.gz IEJUKOSECBRXFA-QHAWAJNXSA-N 2 0 355.526 3.032 20 0 FGADRP CC[C@]1(C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)CCC[NH2+]1 ZINC000423897081 500417391 /nfs/dbraw/zinc/41/73/91/500417391.db2.gz HCEDBTFJYJIMHT-TUNNFDKTSA-N 2 0 355.526 3.032 20 0 FGADRP CC[N@H+](Cc1ccc(C(=O)N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)cc1)C1CC1 ZINC000423987442 500430786 /nfs/dbraw/zinc/43/07/86/500430786.db2.gz YSORZZPARNOBFA-FCHUYYIVSA-N 2 0 363.505 3.156 20 0 FGADRP CCOc1ccccc1NC(=O)[C@@H](c1ccccc1)N1CC[C@@H](C[NH3+])C1 ZINC000420304551 500437454 /nfs/dbraw/zinc/43/74/54/500437454.db2.gz YFFWGCQWJSSNLH-OXJNMPFZSA-N 2 0 353.466 3.046 20 0 FGADRP C[C@@H](CC1CCCC1)C(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000424020786 500437672 /nfs/dbraw/zinc/43/76/72/500437672.db2.gz PRRWTIBHZTUYOK-SFHVURJKSA-N 2 0 357.542 3.313 20 0 FGADRP CC[NH+](CC)C[C@H]1CCCC[C@H]1NC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000431880382 500437951 /nfs/dbraw/zinc/43/79/51/500437951.db2.gz WXPJVNJCTUWFJV-SJLPKXTDSA-N 2 0 366.594 3.495 20 0 FGADRP CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC(=O)NC1CC[NH+](CC(C)C)CC1 ZINC000431877206 500437986 /nfs/dbraw/zinc/43/79/86/500437986.db2.gz ZNQMEVLWRBFCKS-AZUAARDMSA-N 2 0 366.594 3.307 20 0 FGADRP [NH3+]C1(CNC(=O)c2sccc2Cl)CC[NH+](Cc2ccccc2)CC1 ZINC000424022815 500438224 /nfs/dbraw/zinc/43/82/24/500438224.db2.gz UYFJXHFRGLEAJS-UHFFFAOYSA-N 2 0 363.914 3.125 20 0 FGADRP Cn1ccnc1C[N@H+](C[C@H]1CCCC(F)(F)C1)[C@@H]1CC12CC[NH2+]CC2 ZINC000420310108 500439269 /nfs/dbraw/zinc/43/92/69/500439269.db2.gz MBRHNOFAEMYDCX-JKSUJKDBSA-N 2 0 352.473 3.190 20 0 FGADRP [NH3+]C1(CNC(=O)c2cccc(Cl)c2)CC[NH+](Cc2ccccc2)CC1 ZINC000424042389 500442365 /nfs/dbraw/zinc/44/23/65/500442365.db2.gz XACXQWLTYWXNKK-UHFFFAOYSA-N 2 0 357.885 3.063 20 0 FGADRP CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)C1CC[NH+](C(C)C)CC1 ZINC000427950869 500449248 /nfs/dbraw/zinc/44/92/48/500449248.db2.gz NQPYFCCWWGYIPD-UHFFFAOYSA-N 2 0 365.484 3.230 20 0 FGADRP COc1ccc([C@H](C[NH3+])C[N@@H+]2CCC[C@@H]2Cn2cnc3ccccc32)cc1 ZINC000420373716 500449804 /nfs/dbraw/zinc/44/98/04/500449804.db2.gz MXYKRJNDFRPDFU-RTBURBONSA-N 2 0 364.493 3.252 20 0 FGADRP Cc1oc(-c2ccsc2)nc1C[NH+]1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000420388218 500453804 /nfs/dbraw/zinc/45/38/04/500453804.db2.gz WZMBQKDYIULOSP-SJLPKXTDSA-N 2 0 361.511 3.430 20 0 FGADRP C[C@@H]1CC[N@H+](CCC(=O)NC(c2ccccc2)c2ccccc2)C[C@@H]1C[NH3+] ZINC000420400152 500455498 /nfs/dbraw/zinc/45/54/98/500455498.db2.gz IJEATHPHJPYQKL-NQIIRXRSSA-N 2 0 365.521 3.199 20 0 FGADRP Cc1cc(F)c(C[NH2+]CC2(N3CCCCC3)CC[NH+](C)CC2)c(F)c1 ZINC000424145119 500459848 /nfs/dbraw/zinc/45/98/48/500459848.db2.gz MVAOZVHXYCFTMA-UHFFFAOYSA-N 2 0 351.485 3.313 20 0 FGADRP C[C@H](NC(=O)C[N@@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2)c1ccc2c(c1)CCCC2 ZINC000424295863 500483554 /nfs/dbraw/zinc/48/35/54/500483554.db2.gz RLJSHSCQSBWAFG-ROUUACIJSA-N 2 0 369.553 3.207 20 0 FGADRP C[C@H](c1cc2ccccc2o1)N(C)C(=O)C[N@@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424302401 500483692 /nfs/dbraw/zinc/48/36/92/500483692.db2.gz ZJXNTOCTCXAUKB-IAGOWNOFSA-N 2 0 369.509 3.416 20 0 FGADRP O=C1CCCN1CCC[NH2+][C@@H]1CCCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000428235385 500484450 /nfs/dbraw/zinc/48/44/50/500484450.db2.gz CNIUTZCTRAUMIF-BHDDXSALSA-N 2 0 369.553 3.279 20 0 FGADRP CN(C[C@H](C[NH3+])c1ccc(F)cc1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000424307107 500484728 /nfs/dbraw/zinc/48/47/28/500484728.db2.gz WVSPZFDHBFCKFN-FPOVZHCZSA-N 2 0 355.501 3.322 20 0 FGADRP COc1ccc(C[N@@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)c(Br)c1O ZINC000424383318 500494710 /nfs/dbraw/zinc/49/47/10/500494710.db2.gz UCHAEOWHQHSVGL-LBPRGKRZSA-N 2 0 369.303 3.127 20 0 FGADRP CC[NH+](CC)Cc1ccc(CNC(=O)NC2CCC([NH+](C)C)CC2)cc1 ZINC000420772669 500497314 /nfs/dbraw/zinc/49/73/14/500497314.db2.gz ONWDQCTYCSKGEO-UHFFFAOYSA-N 2 0 360.546 3.200 20 0 FGADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC000570580079 506199368 /nfs/dbraw/zinc/19/93/68/506199368.db2.gz LKFBKWYBYQIZPL-GCJKJVERSA-N 2 0 365.521 3.356 20 0 FGADRP C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N(C)C[C@@H]2CCC[NH+]2C)C1 ZINC000420792143 500502390 /nfs/dbraw/zinc/50/23/90/500502390.db2.gz HLNIWOJFDXQKJW-NQIIRXRSSA-N 2 0 372.557 3.154 20 0 FGADRP COc1cc(Br)ccc1CNCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000432350907 500502729 /nfs/dbraw/zinc/50/27/29/500502729.db2.gz GNAJZGUKORKYHG-CQSZACIVSA-N 2 0 371.319 3.048 20 0 FGADRP Cc1cc(C[NH3+])cc(NC(=O)N(C)CC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000424427535 500503042 /nfs/dbraw/zinc/50/30/42/500503042.db2.gz PWBMCMRDPUBNSD-UHFFFAOYSA-N 2 0 367.497 3.229 20 0 FGADRP Cc1cc(C[NH3+])cc(NC(=O)NCC(C)(C)[N@@H+]2CCc3ccccc3C2)c1 ZINC000424435576 500505349 /nfs/dbraw/zinc/50/53/49/500505349.db2.gz JARITJLPBBFKRX-UHFFFAOYSA-N 2 0 366.509 3.412 20 0 FGADRP Cc1ccc([C@@H](CNC(=O)NCc2cc(C)nc(C)c2)[NH+]2CCCC2)o1 ZINC000420804432 500505836 /nfs/dbraw/zinc/50/58/36/500505836.db2.gz UBUOFEZFQODJNK-GOSISDBHSA-N 2 0 356.470 3.236 20 0 FGADRP CC[C@H]1CN(C(=O)NC2CCC([NH+](C)C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000420889886 500523068 /nfs/dbraw/zinc/52/30/68/500523068.db2.gz JQBNNOHPTLMYNO-KBWCOIMZSA-N 2 0 372.557 3.165 20 0 FGADRP COCC[N@H+](C)CCC[NH2+]C1CC(c2cccc(Br)c2)C1 ZINC000432526076 500527320 /nfs/dbraw/zinc/52/73/20/500527320.db2.gz LQUCGDHORQXDKJ-UHFFFAOYSA-N 2 0 355.320 3.253 20 0 FGADRP C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)NCC[NH+]1CCC2(CCCCC2)CC1 ZINC000442625772 500605319 /nfs/dbraw/zinc/60/53/19/500605319.db2.gz OXOCPLRBKYUSDW-RTBURBONSA-N 2 0 364.578 3.014 20 0 FGADRP C[C@@]([NH3+])(C(=O)NCc1ccccc1C[NH+]1CCCCC1)c1ccccc1 ZINC000447439951 500606279 /nfs/dbraw/zinc/60/62/79/500606279.db2.gz LMLZCCIKHUCRBG-QFIPXVFZSA-N 2 0 351.494 3.163 20 0 FGADRP C[NH+]1CCC(O)(C[NH2+][C@H]2CC[C@H](c3ccc(C(F)(F)F)cc3)C2)CC1 ZINC000442788913 500626327 /nfs/dbraw/zinc/62/63/27/500626327.db2.gz GDNIQXXRWKVYBZ-RDJZCZTQSA-N 2 0 356.432 3.388 20 0 FGADRP C[C@H]([C@@H](C)c1ccc(Cl)cc1)N(C)C(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433116890 500629031 /nfs/dbraw/zinc/62/90/31/500629031.db2.gz NFUIIVDDZHUCNF-HZPDHXFCSA-N 2 0 365.949 3.494 20 0 FGADRP CC[C@H](c1ccccc1)[C@H]1CCCN1C(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433116899 500630110 /nfs/dbraw/zinc/63/01/10/500630110.db2.gz NHMHLHHYLJPCSN-NHCUHLMSSA-N 2 0 357.542 3.375 20 0 FGADRP C[C@H]([NH2+]Cc1cccc(N2CCC2=O)c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000442815837 500630131 /nfs/dbraw/zinc/63/01/31/500630131.db2.gz WPHYMQAHYBLXKA-KRWDZBQOSA-N 2 0 367.493 3.215 20 0 FGADRP CC(C)[C@@H](NC(=O)CCC[NH+]1CCC([NH3+])CC1)c1ccc(Cl)cc1 ZINC000433150103 500634996 /nfs/dbraw/zinc/63/49/96/500634996.db2.gz FUQHMFYOVBLQMJ-LJQANCHMSA-N 2 0 351.922 3.357 20 0 FGADRP CC(C)(C)[C@H](NC(=O)CCC[NH+]1CCC([NH3+])CC1)c1ccc(F)cc1F ZINC000433147920 500635408 /nfs/dbraw/zinc/63/54/08/500635408.db2.gz FFKDIOYEFJZAOG-LJQANCHMSA-N 2 0 367.484 3.372 20 0 FGADRP C[N@@H+]1CCN(CC[NH2+][C@H]2CCCOc3ccc(Cl)cc32)CC1(C)C ZINC000442864658 500636120 /nfs/dbraw/zinc/63/61/20/500636120.db2.gz DHCKWAZZGWQAAC-KRWDZBQOSA-N 2 0 351.922 3.169 20 0 FGADRP [NH3+]C1CC[NH+](CCCC(=O)N[C@H](c2cccc(F)c2)C2CCCC2)CC1 ZINC000433158508 500636991 /nfs/dbraw/zinc/63/69/91/500636991.db2.gz PYASSTQUSQCECX-NRFANRHFSA-N 2 0 361.505 3.377 20 0 FGADRP [NH3+]C1CC[NH+](CCCC(=O)Nc2ccc(Oc3ccc(F)cc3)cn2)CC1 ZINC000433165032 500637180 /nfs/dbraw/zinc/63/71/80/500637180.db2.gz AWRWWJROVBSSOI-UHFFFAOYSA-N 2 0 372.444 3.155 20 0 FGADRP [NH3+]C1CC[NH+](CCCC(=O)Nc2ccccc2CCC(F)(F)F)CC1 ZINC000433177397 500639814 /nfs/dbraw/zinc/63/98/14/500639814.db2.gz QLMAQVKSHWOBBY-UHFFFAOYSA-N 2 0 357.420 3.323 20 0 FGADRP [NH3+]CC[C@H]1CCC[N@H+](Cc2cn(-c3ccc(Cl)cc3Cl)nn2)C1 ZINC000442916711 500646539 /nfs/dbraw/zinc/64/65/39/500646539.db2.gz AEBLONKUBIMFKQ-GFCCVEGCSA-N 2 0 354.285 3.135 20 0 FGADRP C[NH+](C)CCN(Cc1ccccc1)C(=O)C[C@@H](c1ccccc1)[NH+](C)C ZINC000433313862 500670182 /nfs/dbraw/zinc/67/01/82/500670182.db2.gz SEUNQOHDVBNPEI-NRFANRHFSA-N 2 0 353.510 3.270 20 0 FGADRP [NH3+]CC[C@@H]1CCC[N@H+](CC(=O)N[C@H](c2cccs2)c2ccccc2)C1 ZINC000443058239 500670740 /nfs/dbraw/zinc/67/07/40/500670740.db2.gz JVPBFVOYOIAZMC-JXFKEZNVSA-N 2 0 357.523 3.015 20 0 FGADRP COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443061204 500671450 /nfs/dbraw/zinc/67/14/50/500671450.db2.gz RDLHVWLPSWMXCB-UONOGXRCSA-N 2 0 353.894 3.045 20 0 FGADRP [NH3+]CC[C@H]1CCC[N@H+](CC(=O)N[C@H](Cc2ccccc2)c2ccccc2)C1 ZINC000443064946 500672566 /nfs/dbraw/zinc/67/25/66/500672566.db2.gz ZCJTZXWZRQBSIT-IFMALSPDSA-N 2 0 365.521 3.147 20 0 FGADRP C[C@H](NC(=O)C[N@@H+]1CCC[C@H](CC[NH3+])C1)c1ccc(Cl)c(Cl)c1 ZINC000443079435 500676069 /nfs/dbraw/zinc/67/60/69/500676069.db2.gz ZMWRCDKEIHYBCM-QWHCGFSZSA-N 2 0 358.313 3.231 20 0 FGADRP CC[NH+](CC)Cc1ccc(CNC(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)cc1 ZINC000433575475 500715366 /nfs/dbraw/zinc/71/53/66/500715366.db2.gz NFRXCZCPZQUALR-OAQYLSRUSA-N 2 0 372.557 3.345 20 0 FGADRP C[C@@H](C1CC1)N(C(=O)C[NH+]1CCC(CCC[NH+]2CCCC2)CC1)C1CC1 ZINC000443591511 500742805 /nfs/dbraw/zinc/74/28/05/500742805.db2.gz JPRQMHCSDJNCEB-SFHVURJKSA-N 2 0 361.574 3.364 20 0 FGADRP C[C@@H](NC(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1)C(C)(C)C[NH+](C)C ZINC000443630385 500747118 /nfs/dbraw/zinc/74/71/18/500747118.db2.gz OACVPZVXUXUXOT-DLBZAZTESA-N 2 0 362.562 3.391 20 0 FGADRP Cc1cc(C(F)(F)F)ccc1C[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000443639629 500748102 /nfs/dbraw/zinc/74/81/02/500748102.db2.gz GVEIIALLUFNWCR-VQIMIIECSA-N 2 0 369.475 3.472 20 0 FGADRP C[C@H](CCCOc1ccccc1C(N)=O)[NH2+]C[C@@H]1N(C)CCCC1(C)C ZINC000448367871 500753762 /nfs/dbraw/zinc/75/37/62/500753762.db2.gz RWBLXBAWDAOUFD-APWZRJJASA-N 2 0 361.530 3.043 20 0 FGADRP O=C(NC[C@@H]1CCC[N@@H+]1C1CCCCC1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000438329026 500771070 /nfs/dbraw/zinc/77/10/70/500771070.db2.gz OXFMLAQFOXFUNQ-VQTJNVASSA-N 2 0 362.562 3.053 20 0 FGADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+]Cc1ccc(Oc2cccc(F)c2)cc1 ZINC000443979515 500786537 /nfs/dbraw/zinc/78/65/37/500786537.db2.gz KPLMTJJVFXOXKL-KRWDZBQOSA-N 2 0 357.473 3.344 20 0 FGADRP CC[C@H]1CC[N@H+](CC(=O)NC[C@H](c2ccc(OC)cc2)[NH+]2CCCCC2)C1 ZINC000438509314 500794938 /nfs/dbraw/zinc/79/49/38/500794938.db2.gz OLAISKDSGYRVLI-GHTZIAJQSA-N 2 0 373.541 3.070 20 0 FGADRP CC[C@@H]1CC[N@H+](CC(=O)NC[C@@H](c2ccc(OC)cc2)[NH+]2CCCCC2)C1 ZINC000438509316 500794950 /nfs/dbraw/zinc/79/49/50/500794950.db2.gz OLAISKDSGYRVLI-NQIIRXRSSA-N 2 0 373.541 3.070 20 0 FGADRP O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000438577292 500804127 /nfs/dbraw/zinc/80/41/27/500804127.db2.gz ROWVIXLZTIVDIB-ZWKOTPCHSA-N 2 0 361.555 3.408 20 0 FGADRP C[N@@H+](Cc1cccnc1)C[C@@H]1CCN(Cc2nc3cccnc3s2)C1 ZINC000434505107 500853041 /nfs/dbraw/zinc/85/30/41/500853041.db2.gz XRVHGWNMFABUIO-INIZCTEOSA-N 2 0 353.495 3.040 20 0 FGADRP C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)c1cccc(C[N@H+](C)Cc2ccccc2)c1 ZINC000434673560 500877434 /nfs/dbraw/zinc/87/74/34/500877434.db2.gz QWJZBDKEDQMESD-ZWKOTPCHSA-N 2 0 351.494 3.141 20 0 FGADRP CC(C)CN(CC(C)C)C(=O)CN(C)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000434750709 500888973 /nfs/dbraw/zinc/88/89/73/500888973.db2.gz YGMUCDGFIMLVES-UNMCSNQZSA-N 2 0 374.573 3.147 20 0 FGADRP CN(c1ccccc1C[NH2+]C[C@H]1CCCCN1C1CC1)C1CC[NH+](C)CC1 ZINC000434782075 500893840 /nfs/dbraw/zinc/89/38/40/500893840.db2.gz FELHQKFRVAASAA-JOCHJYFZSA-N 2 0 370.585 3.324 20 0 FGADRP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3cnc(-c4ccccc4F)s3)C2)CC1 ZINC000449023045 500900989 /nfs/dbraw/zinc/90/09/89/500900989.db2.gz MULDGKWGSFUDNN-INIZCTEOSA-N 2 0 374.529 3.161 20 0 FGADRP C[C@H](C[NH2+]CCCC[N@@H+]1CCCC[C@H]1C)c1ccc(S(C)(=O)=O)cc1 ZINC000449081210 500919417 /nfs/dbraw/zinc/91/94/17/500919417.db2.gz CPCUYRFQBCJNKA-QZTJIDSGSA-N 2 0 366.571 3.438 20 0 FGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]Cc2cc(Cl)sc2Cl)CC1 ZINC000449129649 500931314 /nfs/dbraw/zinc/93/13/14/500931314.db2.gz DBOITUKVUATFFG-LBPRGKRZSA-N 2 0 350.359 3.418 20 0 FGADRP Cc1cc(Br)c(C[NH2+]C[C@@H](C)N2CC[NH+](C)CC2)cc1Cl ZINC000449134330 500932531 /nfs/dbraw/zinc/93/25/31/500932531.db2.gz ILDIBBJFXJWNBU-CYBMUJFWSA-N 2 0 374.754 3.136 20 0 FGADRP O[C@H]1CCC[C@@H]1[NH+]1CCC([NH2+]C2CCC(OC3CCCC3)CC2)CC1 ZINC000449185587 500942855 /nfs/dbraw/zinc/94/28/55/500942855.db2.gz GSVJQVGPHZHBPU-APHPEJJXSA-N 2 0 350.547 3.224 20 0 FGADRP COc1cc2ccccc2cc1C[NH2+]C(C)(C)CCN1CC[NH+](C)CC1 ZINC000449253593 500958031 /nfs/dbraw/zinc/95/80/31/500958031.db2.gz ZHZNQTPRIVVKHD-UHFFFAOYSA-N 2 0 355.526 3.354 20 0 FGADRP C[NH2+]CC1CC[NH+](Cc2cc(Cl)ccc2OC[C@@H]2CCCO2)CC1 ZINC000435367842 500960849 /nfs/dbraw/zinc/96/08/49/500960849.db2.gz AYBIFTLQVUBLHK-SFHVURJKSA-N 2 0 352.906 3.329 20 0 FGADRP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1cnn(Cc2ccc(C(F)(F)F)cc2)c1 ZINC000435373747 500962229 /nfs/dbraw/zinc/96/22/29/500962229.db2.gz OLKKONUPICHZOI-DZGCQCFKSA-N 2 0 352.404 3.119 20 0 FGADRP COc1cccc(-c2nn(C(C)(C)C)cc2C[N@@H+]2C[C@H](C[NH3+])C[C@@H]2C)c1 ZINC000435375225 500962357 /nfs/dbraw/zinc/96/23/57/500962357.db2.gz UHBXPMCCKBKREK-HOTGVXAUSA-N 2 0 356.514 3.483 20 0 FGADRP CC(C)[C@@H]([NH3+])CC[N@H+](C)Cc1cn(C)nc1-c1ccc2c(c1)OCCCO2 ZINC000435377315 500963131 /nfs/dbraw/zinc/96/31/31/500963131.db2.gz AEOMQNKWXNPIEN-SFHVURJKSA-N 2 0 372.513 3.054 20 0 FGADRP COc1ccc(OCc2ccccn2)c(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c1 ZINC000435378878 500963671 /nfs/dbraw/zinc/96/36/71/500963671.db2.gz ABWOKUYHDWZEEY-DQLDELGASA-N 2 0 367.493 3.228 20 0 FGADRP COc1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cc1OCc1ccccc1 ZINC000435380879 500963808 /nfs/dbraw/zinc/96/38/08/500963808.db2.gz UFHLABSRIJXQBO-UFYCRDLUSA-N 2 0 352.478 3.443 20 0 FGADRP COc1ccc(Cn2nc(C)c(C[N@@H+]3C[C@@H]4CCC[C@@H]([NH3+])[C@H]4C3)c2C)cc1 ZINC000435385443 500965145 /nfs/dbraw/zinc/96/51/45/500965145.db2.gz QBZKQTJJEGJGDR-YUXAGFNASA-N 2 0 368.525 3.116 20 0 FGADRP CN(c1ccccc1C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1)C1CC[NH+](C)CC1 ZINC000435387024 500966235 /nfs/dbraw/zinc/96/62/35/500966235.db2.gz WJBSEWOEUDOYKW-QFIPXVFZSA-N 3 0 370.585 3.181 20 0 FGADRP COc1cccc(CN(Cc2ccccn2)[C@H]2CCC[NH2+]CC2)c1OC ZINC000435392996 500966807 /nfs/dbraw/zinc/96/68/07/500966807.db2.gz INAGHYHYGIKVQD-IBGZPJMESA-N 2 0 355.482 3.243 20 0 FGADRP CN(C)c1ncc(CN(Cc2ccsc2)[C@@H]2CC23CC[NH2+]CC3)s1 ZINC000435426257 500972409 /nfs/dbraw/zinc/97/24/09/500972409.db2.gz HFHRJKDIMKJQCZ-MRXNPFEDSA-N 2 0 362.568 3.415 20 0 FGADRP CCOc1c(Br)cc(C[N@H+](C)[C@@H]2CCC[NH2+]CC2)cc1OC ZINC000435435238 500976227 /nfs/dbraw/zinc/97/62/27/500976227.db2.gz XMGYFWJEDFWIKY-CQSZACIVSA-N 2 0 371.319 3.430 20 0 FGADRP CC[N@H+](CCC(=O)Nc1ccc(Br)cc1)[C@@H]1CCC[NH2+]CC1 ZINC000435614946 501002410 /nfs/dbraw/zinc/00/24/10/501002410.db2.gz NZRFUIQPXGOXIQ-MRXNPFEDSA-N 2 0 368.319 3.242 20 0 FGADRP CCn1ccnc1C[N@H+](CCc1ccc(OC)cc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435699299 501014340 /nfs/dbraw/zinc/01/43/40/501014340.db2.gz ZLWYXCSSLCKUJM-HXUWFJFHSA-N 2 0 368.525 3.098 20 0 FGADRP CCCOc1c(OC)cc(CC[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1OC ZINC000449486446 501014854 /nfs/dbraw/zinc/01/48/54/501014854.db2.gz SHXLWVOEAPUOTO-QZTJIDSGSA-N 2 0 362.514 3.252 20 0 FGADRP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@H]([C@H](CO)C2CC2)C2CC2)CC1 ZINC000449507058 501020266 /nfs/dbraw/zinc/02/02/66/501020266.db2.gz LMECCFCAEZQUNI-ZQMYSKGWSA-N 2 0 356.554 3.469 20 0 FGADRP C[C@@H]1CN(Cc2ncc(CN(C)C)s2)CC[N@H+](Cc2ccccc2)C1 ZINC000449552855 501031356 /nfs/dbraw/zinc/03/13/56/501031356.db2.gz KRQNAHBEOYXCIC-KRWDZBQOSA-N 2 0 358.555 3.159 20 0 FGADRP CC1(C)[C@@H]2OCCC[C@H]2[C@@]1([NH3+])C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000446266012 501096572 /nfs/dbraw/zinc/09/65/72/501096572.db2.gz SXAXUZIXMYPJEG-WOIUINJBSA-N 2 0 371.525 3.144 20 0 FGADRP CC(C)Oc1ccc2[nH+]ccc(N3C[C@@H](C)[C@H]([NH+]4CCOCC4)C3)c2c1 ZINC000450372315 501102745 /nfs/dbraw/zinc/10/27/45/501102745.db2.gz OAHZZCSBMHSSEJ-IIBYNOLFSA-N 2 0 355.482 3.179 20 0 FGADRP C[N@@H+]1CCN(CC[NH2+]Cc2ccc(Cl)c(C(F)(F)F)c2)CC1(C)C ZINC000441333687 501121808 /nfs/dbraw/zinc/12/18/08/501121808.db2.gz MHQYRNSGSWXXOF-UHFFFAOYSA-N 2 0 363.855 3.474 20 0 FGADRP C[N@@H+]1CCN(CC[NH2+]Cc2cc(Cl)ccc2Br)CC1(C)C ZINC000441379560 501130839 /nfs/dbraw/zinc/13/08/39/501130839.db2.gz JIBCOZHKEQELCS-UHFFFAOYSA-N 2 0 374.754 3.218 20 0 FGADRP COC[C@H]([NH2+]CCCN1CC[N@H+](C)C[C@@H]1c1ccccc1)C1CCCC1 ZINC000446758967 501162658 /nfs/dbraw/zinc/16/26/58/501162658.db2.gz MLNNSAWZKIRNAX-FCHUYYIVSA-N 2 0 359.558 3.160 20 0 FGADRP CCN1CC[NH+](CCCC[NH2+][C@H](C)c2cc(-c3ccccc3)nn2C)CC1 ZINC000453076663 501263895 /nfs/dbraw/zinc/26/38/95/501263895.db2.gz JLUFASMJOVXYRX-LJQANCHMSA-N 2 0 369.557 3.155 20 0 FGADRP C[C@@H]1C[C@@H]([NH2+]C[C@H](O)COC(c2ccccc2)c2ccccc2)CC[N@@H+]1C ZINC000582482286 506247486 /nfs/dbraw/zinc/24/74/86/506247486.db2.gz YXHDESLHEXQSRM-COPCDDAFSA-N 2 0 368.521 3.226 20 0 FGADRP O=C(NCc1ccc2c[nH+]cn2c1)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000457973635 501347689 /nfs/dbraw/zinc/34/76/89/501347689.db2.gz JAQBCIYGYBJHPK-GOSISDBHSA-N 2 0 366.440 3.002 20 0 FGADRP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)COC(c2ccccc2)c2ccccc2)CC[N@@H+]1C ZINC000582482289 506248227 /nfs/dbraw/zinc/24/82/27/506248227.db2.gz YXHDESLHEXQSRM-STZQEDGTSA-N 2 0 368.521 3.226 20 0 FGADRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2nc(-c3ccccc3)oc2C)CC1 ZINC000451989343 501414037 /nfs/dbraw/zinc/41/40/37/501414037.db2.gz QDLWUEZYIJIWTP-UHFFFAOYSA-N 2 0 356.514 3.156 20 0 FGADRP CC[NH+]1CCN(CC(C)(C)[NH2+]C[C@@H](OC)c2ccc(Cl)cc2)CC1 ZINC000451989329 501414665 /nfs/dbraw/zinc/41/46/65/501414665.db2.gz QAYZBLMVVPWTNS-GOSISDBHSA-N 2 0 353.938 3.033 20 0 FGADRP C[NH+](C)[C@@H]1CCc2cc(NC(=O)N3CCC[C@H]3C[NH+]3CCCC3)ccc21 ZINC000455950526 501424085 /nfs/dbraw/zinc/42/40/85/501424085.db2.gz ZRTBGNUBOBKNHF-AZUAARDMSA-N 2 0 356.514 3.328 20 0 FGADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)N1CC[C@]2(C1)CCC[N@H+](C)C2)c1ccccc1 ZINC000458381088 501431724 /nfs/dbraw/zinc/43/17/24/501431724.db2.gz VOPCQUPYLKDMNN-XMSQKQJNSA-N 2 0 372.557 3.243 20 0 FGADRP CCC[C@@H]([NH2+]C(C)C)C(=O)NC[C@H](c1ccc(SC)cc1)[NH+](C)C ZINC000452161003 501448940 /nfs/dbraw/zinc/44/89/40/501448940.db2.gz FCPUDVQHVWUZBU-QZTJIDSGSA-N 2 0 351.560 3.294 20 0 FGADRP CCn1ccnc1[C@H](C)NC(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000454255740 501493462 /nfs/dbraw/zinc/49/34/62/501493462.db2.gz WOOAFQANWKVWLJ-INIZCTEOSA-N 2 0 355.486 3.059 20 0 FGADRP C[N@H+](Cc1ccccc1)C1(CNC(=O)NCC[C@H]2CCC[NH+](C)C2)CCC1 ZINC000458971462 501568513 /nfs/dbraw/zinc/56/85/13/501568513.db2.gz KAULLTMHBDKMHS-HXUWFJFHSA-N 2 0 372.557 3.072 20 0 FGADRP CCn1ccnc1[C@H](C)NC(=O)N1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000459097208 501593725 /nfs/dbraw/zinc/59/37/25/501593725.db2.gz DTEVESWIDMXIAF-KRWDZBQOSA-N 2 0 369.513 3.270 20 0 FGADRP CC1CC[NH+](C[C@H]2CCCN(C(=O)NCCCC[N@H+](C)C3CC3)C2)CC1 ZINC000459157117 501605499 /nfs/dbraw/zinc/60/54/99/501605499.db2.gz MDFPXUAUEDTKCZ-LJQANCHMSA-N 2 0 364.578 3.014 20 0 FGADRP C[C@H](NC(=O)N1CC[N@H+](Cc2ccccc2)C[C@H](C)C1)C(C)(C)C[NH+](C)C ZINC000454680689 501608059 /nfs/dbraw/zinc/60/80/59/501608059.db2.gz ZDSJNNLEZFRWKL-OALUTQOASA-N 2 0 374.573 3.126 20 0 FGADRP CN(C(=O)NCC[C@H]1CCC[N@H+](C)C1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000459260882 501620894 /nfs/dbraw/zinc/62/08/94/501620894.db2.gz KSVVNTBRXNUHFE-HXUWFJFHSA-N 2 0 372.557 3.024 20 0 FGADRP CCOc1cc(C[NH+]2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)ccc1O ZINC000459329957 501632021 /nfs/dbraw/zinc/63/20/21/501632021.db2.gz RYMJXRBBLGPZPN-CALCHBBNSA-N 2 0 362.514 3.112 20 0 FGADRP CCO[C@@H]1C[C@@H]([NH2+]CC2CC[NH+](Cc3cccs3)CC2)[C@H]1SC ZINC000459393537 501645472 /nfs/dbraw/zinc/64/54/72/501645472.db2.gz VWKRZFLBUQUJMX-KZNAEPCWSA-N 2 0 354.585 3.459 20 0 FGADRP C[NH+](C)CCNC(=O)c1cccc(C[NH2+]C2CC(C)(c3ccccc3)C2)c1 ZINC000459397453 501646572 /nfs/dbraw/zinc/64/65/72/501646572.db2.gz DSFBFIQKDZOONF-UHFFFAOYSA-N 2 0 365.521 3.188 20 0 FGADRP C[N@H+](CCCCNC(=O)[C@H]1CCC[NH+](Cc2cccc(F)c2)C1)C1CC1 ZINC000457195143 501663772 /nfs/dbraw/zinc/66/37/72/501663772.db2.gz GGKJONITBMLYIK-SFHVURJKSA-N 2 0 361.505 3.028 20 0 FGADRP COC(=O)[C@H](Cc1ccccc1)[C@@H](C)[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000459515915 501667878 /nfs/dbraw/zinc/66/78/78/501667878.db2.gz DCHJPRDZBXWBAH-DYESRHJHSA-N 2 0 367.493 3.060 20 0 FGADRP CSC1(C[NH2+]Cc2c(C)nc3scc(C4CC4)n23)CC[NH+](C)CC1 ZINC000459561246 501677232 /nfs/dbraw/zinc/67/72/32/501677232.db2.gz LCMYHERVIHOUEI-UHFFFAOYSA-N 2 0 364.584 3.499 20 0 FGADRP O=C(NC1CC[NH+](Cc2ccc(F)cc2)CC1)C1C[NH+](C2CCCCC2)C1 ZINC000457491215 501709083 /nfs/dbraw/zinc/70/90/83/501709083.db2.gz VOWUIOKFBQPWGR-UHFFFAOYSA-N 2 0 373.516 3.171 20 0 FGADRP CC[C@H]1C[N@H+](CC)CCN1C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000457495788 501710296 /nfs/dbraw/zinc/71/02/96/501710296.db2.gz ROQZZRUHQMFRHF-DLBZAZTESA-N 2 0 364.559 3.011 20 0 FGADRP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH+]2CCC[C@@H]2C2CCC2)CC1 ZINC000477623556 501741198 /nfs/dbraw/zinc/74/11/98/501741198.db2.gz AYSOOZNZFDVJNR-JOCHJYFZSA-N 2 0 369.553 3.294 20 0 FGADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2ccnn2-c2ccccc2C)C1 ZINC000474271360 501769571 /nfs/dbraw/zinc/76/95/71/501769571.db2.gz XPHUDTALWJWTMP-FQEVSTJZSA-N 2 0 356.514 3.113 20 0 FGADRP COc1cc2c(cc1F)CC[C@@H]2[NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000467337677 501773647 /nfs/dbraw/zinc/77/36/47/501773647.db2.gz FDEHTJVUUHBYCP-KHYOSLBOSA-N 2 0 350.478 3.301 20 0 FGADRP C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000467344229 501774012 /nfs/dbraw/zinc/77/40/12/501774012.db2.gz AVYXMVPRPOJUAR-MRXNPFEDSA-N 2 0 357.464 3.254 20 0 FGADRP CN(CCC[NH+]1CCCC1)Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000467511333 501811709 /nfs/dbraw/zinc/81/17/09/501811709.db2.gz CPDVDWKWXNWFOY-UHFFFAOYSA-N 2 0 358.574 3.135 20 0 FGADRP CC[NH+](CC)CCNC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000485445444 501823422 /nfs/dbraw/zinc/82/34/22/501823422.db2.gz QEAMQFSOUUSBRM-SFTDATJTSA-N 2 0 372.557 3.024 20 0 FGADRP CC(C)C[NH+]1CCC(NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)CC1 ZINC000477903548 501824894 /nfs/dbraw/zinc/82/48/94/501824894.db2.gz CWTNMKFHTOGSMJ-WIYYLYMNSA-N 2 0 372.557 3.069 20 0 FGADRP O=C(C[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2)N1CCCCCC1 ZINC000485478137 501831657 /nfs/dbraw/zinc/83/16/57/501831657.db2.gz SRWNDDCPBSQIFZ-UHFFFAOYSA-N 2 0 369.553 3.377 20 0 FGADRP C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)NCCCCC[NH+]2CCCCC2)C1 ZINC000470898176 501846299 /nfs/dbraw/zinc/84/62/99/501846299.db2.gz QRMAZNVWRBITJX-HXUWFJFHSA-N 2 0 364.578 3.016 20 0 FGADRP CC[NH+](CC)[C@@H]1CCN(C(=O)NC[C@H](C2CC2)[N@H+](C)Cc2ccccc2)C1 ZINC000478015646 501853789 /nfs/dbraw/zinc/85/37/89/501853789.db2.gz KGYGWGUVVRHUBU-NHCUHLMSSA-N 2 0 372.557 3.023 20 0 FGADRP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H](c3cccnc3)C3CCC3)cn2)CC1 ZINC000481916727 501917442 /nfs/dbraw/zinc/91/74/42/501917442.db2.gz HBNRYYLYXIDMLH-JOCHJYFZSA-N 2 0 365.525 3.250 20 0 FGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@@H](C)Cc2ccccc2C(F)(F)F)CC1 ZINC000481920531 501919498 /nfs/dbraw/zinc/91/94/98/501919498.db2.gz JJEHRSOKSKRNMN-IRXDYDNUSA-N 2 0 371.491 3.500 20 0 FGADRP C[NH+](C)Cc1ccccc1C(=O)NCC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC000485747587 501923461 /nfs/dbraw/zinc/92/34/61/501923461.db2.gz AJVSLMKKLFMTGI-UHFFFAOYSA-N 2 0 365.521 3.315 20 0 FGADRP CC(C)C[C@H](CNC(=O)NC1CC[NH+](C)CC1)[NH2+][C@@H](C)c1ccccc1 ZINC000468024329 501933819 /nfs/dbraw/zinc/93/38/19/501933819.db2.gz KQNMIZNSGWDBLO-FXAWDEMLSA-N 2 0 360.546 3.145 20 0 FGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCc2ccn(-c3ccccc3)n2)[C@@H](C)C1 ZINC000482038273 501954364 /nfs/dbraw/zinc/95/43/64/501954364.db2.gz YMOCIQRWXXABOT-SIKLNZKXSA-N 2 0 370.541 3.141 20 0 FGADRP COc1cc(OC)cc(N2CC[C@@H]([NH2+]CCCc3ccc(C)nc3)C2)c1 ZINC000474793867 501954860 /nfs/dbraw/zinc/95/48/60/501954860.db2.gz APGJEKHQSXZHHP-GOSISDBHSA-N 2 0 355.482 3.208 20 0 FGADRP CCc1nc(C)c([C@H](C)[NH2+]CCCN2CCN(c3cc[nH+]cc3)CC2)s1 ZINC000482112662 501978671 /nfs/dbraw/zinc/97/86/71/501978671.db2.gz VTDCSLMIKXGIGA-INIZCTEOSA-N 2 0 373.570 3.272 20 0 FGADRP C[NH+](C)C1(CNC(=O)c2ccc(Nc3cc[nH+]cc3)cc2)CCCCC1 ZINC000468204368 501987846 /nfs/dbraw/zinc/98/78/46/501987846.db2.gz HVCKLGQORZEGEM-UHFFFAOYSA-N 2 0 352.482 3.241 20 0 FGADRP C[C@@H](C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)c1cc2ccccc2o1 ZINC000482291403 502031448 /nfs/dbraw/zinc/03/14/48/502031448.db2.gz XUBWAPIWQWEQOL-QGZVFWFLSA-N 2 0 359.514 3.268 20 0 FGADRP C[NH+](C)[C@@H](CNC(=O)C[N@@H+]1CC[C@H](c2ccc(F)cc2)C1)c1ccccc1 ZINC000475042684 502031723 /nfs/dbraw/zinc/03/17/23/502031723.db2.gz ZFEILFDJMKDZRL-FPOVZHCZSA-N 2 0 369.484 3.034 20 0 FGADRP C[C@H](CC[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1)OCc1ccccc1 ZINC000475056910 502039311 /nfs/dbraw/zinc/03/93/11/502039311.db2.gz ONYMAMSSAOEHSC-IRLDBZIGSA-N 2 0 359.558 3.084 20 0 FGADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)N(C)[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000475093619 502054593 /nfs/dbraw/zinc/05/45/93/502054593.db2.gz HAKRZJBRYPTNDV-NHCUHLMSSA-N 2 0 372.557 3.023 20 0 FGADRP CCN(CCC[NH+](C)C)C(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000468434439 502058218 /nfs/dbraw/zinc/05/82/18/502058218.db2.gz GAVYLGDENFSWPO-UHFFFAOYSA-N 2 0 352.567 3.158 20 0 FGADRP O=C(N[C@H]1CC[N@@H+](C2CCCC2)C1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000475120799 502067554 /nfs/dbraw/zinc/06/75/54/502067554.db2.gz PRGOWZOINZHTSM-SFHVURJKSA-N 2 0 362.562 3.100 20 0 FGADRP CCCC[N@H+](C)CC1CC[NH+]([C@@H]2CCCN(CC(C)(C)C)C2=O)CC1 ZINC000461400695 502097081 /nfs/dbraw/zinc/09/70/81/502097081.db2.gz LFTZUPJPRVFSSR-LJQANCHMSA-N 2 0 351.579 3.467 20 0 FGADRP CCCN(CCC[NH+](C)C)C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000468544297 502100122 /nfs/dbraw/zinc/10/01/22/502100122.db2.gz VQNSWDVMBVFCJH-FQEVSTJZSA-N 2 0 360.546 3.024 20 0 FGADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000486265187 502105317 /nfs/dbraw/zinc/10/53/17/502105317.db2.gz GCGIFQABBHVMDU-KNQAVFIVSA-N 2 0 371.569 3.035 20 0 FGADRP CCC(C)(C)[NH2+][C@H](C)C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000461429390 502111004 /nfs/dbraw/zinc/11/10/04/502111004.db2.gz NZLGCKGVPVEAOI-HOJAQTOUSA-N 2 0 357.542 3.134 20 0 FGADRP C[C@H](CC[NH+](C)C)NC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000482595109 502121453 /nfs/dbraw/zinc/12/14/53/502121453.db2.gz WQMGAEWIUPXZSW-NRSPTQNISA-N 2 0 372.557 3.023 20 0 FGADRP O=C(NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)c1ccc2c[nH+]cn2c1 ZINC000461464843 502124999 /nfs/dbraw/zinc/12/49/99/502124999.db2.gz BVVZOSYQPLFNEH-IBGZPJMESA-N 2 0 362.477 3.366 20 0 FGADRP CN(C(=O)c1ccc(C[NH+](C)C)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475302333 502125560 /nfs/dbraw/zinc/12/55/60/502125560.db2.gz FLIGQNDJLGHEIH-NRFANRHFSA-N 2 0 351.494 3.095 20 0 FGADRP CC[NH+]1CCC(NC(=O)C[N@H+](C)[C@H]2CCC[C@@H]2c2ccc(C)cc2)CC1 ZINC000464881102 502136316 /nfs/dbraw/zinc/13/63/16/502136316.db2.gz QTZRLDIFUTURTN-RTWAWAEBSA-N 2 0 357.542 3.163 20 0 FGADRP C[N@H+](Cc1ccccc1)[C@@H](CNC(=O)NCCC[NH+]1CCCCC1)C1CC1 ZINC000482671339 502147132 /nfs/dbraw/zinc/14/71/32/502147132.db2.gz MSFOAOKOLXNPPD-NRFANRHFSA-N 2 0 372.557 3.072 20 0 FGADRP C[N@H+](Cc1ccccc1)[C@H](CNC(=O)NCCC[NH+]1CCCCC1)C1CC1 ZINC000482671340 502147313 /nfs/dbraw/zinc/14/73/13/502147313.db2.gz MSFOAOKOLXNPPD-OAQYLSRUSA-N 2 0 372.557 3.072 20 0 FGADRP CC(C)[C@@H]1CN(C(=O)N[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)CC[N@@H+]1C ZINC000486496507 502171606 /nfs/dbraw/zinc/17/16/06/502171606.db2.gz QTFWEMQIFCAELG-TYPHKJRUSA-N 2 0 372.557 3.021 20 0 FGADRP CC[NH+](CC)CCSCC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000468786016 502183227 /nfs/dbraw/zinc/18/32/27/502183227.db2.gz BUBRLZLZEHCLSF-IBGZPJMESA-N 2 0 369.619 3.176 20 0 FGADRP C[C@H]([NH2+]C(C)(C)CNC(=O)[C@@H](C[NH3+])c1ccc(F)cc1)c1ccccc1 ZINC000479221152 502195941 /nfs/dbraw/zinc/19/59/41/502195941.db2.gz IJCCWCVRRVGMDQ-KXBFYZLASA-N 2 0 357.473 3.114 20 0 FGADRP CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)NCC(C)(C)[NH2+][C@@H](C)c2ccccc2)C1 ZINC000465180153 502208160 /nfs/dbraw/zinc/20/81/60/502208160.db2.gz XIEZJSVYEYYMQW-JENIJYKNSA-N 2 0 360.546 3.144 20 0 FGADRP CN(C(=O)[C@H]1CC[NH+](C2CCCCC2)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475546692 502210072 /nfs/dbraw/zinc/21/00/72/502210072.db2.gz DXHFZBDTARLKES-RBBKRZOGSA-N 2 0 369.553 3.374 20 0 FGADRP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)c2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000465198523 502211645 /nfs/dbraw/zinc/21/16/45/502211645.db2.gz UBBQPCNJNRZJRK-FQEVSTJZSA-N 2 0 357.542 3.380 20 0 FGADRP CCN(CCC[NH+](C)C)C(=O)NC[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000468890262 502219312 /nfs/dbraw/zinc/21/93/12/502219312.db2.gz HRIVQJZFJIWHCW-NRFANRHFSA-N 2 0 360.546 3.024 20 0 FGADRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@@H](C)c1cc(S(N)(=O)=O)c(C)cc1C ZINC000479367594 502237678 /nfs/dbraw/zinc/23/76/78/502237678.db2.gz WWFSIVBJAHANTQ-SJORKVTESA-N 2 0 369.575 3.112 20 0 FGADRP CN(Cc1nccn1Cc1ccccc1)C(=O)c1cccc(C[NH+](C)C)c1 ZINC000468965464 502246754 /nfs/dbraw/zinc/24/67/54/502246754.db2.gz ORJXUBQPALYBQW-UHFFFAOYSA-N 2 0 362.477 3.265 20 0 FGADRP CCCC[N@H+](C)C[C@@H](C)NC(=O)N1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000462015522 502275589 /nfs/dbraw/zinc/27/55/89/502275589.db2.gz QABUDIRPPLPJRE-AQNXPRMDSA-N 2 0 366.594 3.403 20 0 FGADRP CC[C@H]1C[N@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)CC[C@@H]1c1ccccc1 ZINC000472232990 502279754 /nfs/dbraw/zinc/27/97/54/502279754.db2.gz WCXORWOSEUPGCQ-AVRDEDQJSA-N 2 0 369.553 3.245 20 0 FGADRP CC1=CCC[C@H](C)[C@H]1C[NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000479538328 502289983 /nfs/dbraw/zinc/28/99/83/502289983.db2.gz BRBWGYDREWUNOZ-NYVOZVTQSA-N 2 0 369.553 3.466 20 0 FGADRP C[C@@H]1C[C@H](NC(=O)NCc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)CC[NH+]1C ZINC000465553273 502305807 /nfs/dbraw/zinc/30/58/07/502305807.db2.gz QXOICVYWBCMRFI-DBXWQHBBSA-N 2 0 372.557 3.343 20 0 FGADRP CC[NH+]1CCN(c2ccc(C[NH2+]Cc3cc(Cl)cs3)cn2)CC1 ZINC000486937425 502309938 /nfs/dbraw/zinc/30/99/38/502309938.db2.gz MOKAKXVWLDFXEO-UHFFFAOYSA-N 2 0 350.919 3.228 20 0 FGADRP COCCN1CCC([NH2+]Cc2ccccc2C[N@H+](C)Cc2ccco2)CC1 ZINC000462112852 502312249 /nfs/dbraw/zinc/31/22/49/502312249.db2.gz UKZYQQYJFVIDLF-UHFFFAOYSA-N 2 0 371.525 3.112 20 0 FGADRP CCOc1ccc(C[NH2+]Cc2ccc(CN3CC[NH+](C)CC3)cc2)cc1F ZINC000486968112 502319296 /nfs/dbraw/zinc/31/92/96/502319296.db2.gz MDHLFUWYUQBMMN-UHFFFAOYSA-N 2 0 371.500 3.262 20 0 FGADRP CC1CC[NH+](CCCCNC(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000465595732 502320071 /nfs/dbraw/zinc/32/00/71/502320071.db2.gz JHVRTVRVBQCKTR-IBGZPJMESA-N 2 0 352.567 3.014 20 0 FGADRP CCCN(CC[NH+]1CCCCC1)C(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000479645361 502330032 /nfs/dbraw/zinc/33/00/32/502330032.db2.gz IIGCMOIPTQJLIT-HXUWFJFHSA-N 2 0 366.594 3.406 20 0 FGADRP C[C@@H](NC(=O)NCCCC[NH+]1CCC(C)CC1)[C@@H](c1ccccc1)[NH+](C)C ZINC000479807769 502383602 /nfs/dbraw/zinc/38/36/02/502383602.db2.gz BFPHPXWAAIQUJD-CTNGQTDRSA-N 2 0 374.573 3.489 20 0 FGADRP C[C@@H]1C[N@@H+](CCC2CC[NH+](CC[C@@H]3CCCC[NH+]3C)CC2)C[C@H](C)O1 ZINC000472566585 502386341 /nfs/dbraw/zinc/38/63/41/502386341.db2.gz CYYUSYMJIPJJJV-ZVDOUQERSA-N 3 0 351.579 3.072 20 0 FGADRP CCn1nccc1CC[NH2+][C@@H](C)c1cc(F)ccc1N1CC[NH+](CC)CC1 ZINC000472589541 502393432 /nfs/dbraw/zinc/39/34/32/502393432.db2.gz BZSNSEIFNCNEDT-KRWDZBQOSA-N 2 0 373.520 3.077 20 0 FGADRP CC[C@H](C)[N@H+](C)CCNC(=O)N1CC[C@@H](C)[NH+](Cc2ccccc2)CC1 ZINC000465846401 502401488 /nfs/dbraw/zinc/40/14/88/502401488.db2.gz NWIQEFGQGSRTKV-RBUKOAKNSA-N 2 0 360.546 3.023 20 0 FGADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)NCCC1CC[NH+](CC)CC1 ZINC000465875696 502410669 /nfs/dbraw/zinc/41/06/69/502410669.db2.gz TVKAJQNDVDCFCW-LJQANCHMSA-N 2 0 352.567 3.062 20 0 FGADRP CCC[N@@H+]1CC[C@@H](CNC(=O)N[C@H](C[NH+](C)Cc2ccccc2)C(C)C)C1 ZINC000469435555 502416205 /nfs/dbraw/zinc/41/62/05/502416205.db2.gz CWZJDGCRGMLPAB-LEWJYISDSA-N 2 0 374.573 3.174 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NC[C@@H](C)c1cccc(C)c1 ZINC000465953367 502439084 /nfs/dbraw/zinc/43/90/84/502439084.db2.gz ADUGBGYKXUIIEX-TZIWHRDSSA-N 2 0 374.573 3.156 20 0 FGADRP CC[NH+](CC)CCSCC(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000469520008 502449219 /nfs/dbraw/zinc/44/92/19/502449219.db2.gz BXRFTKIKCJRHCA-MOPGFXCFSA-N 2 0 369.619 3.174 20 0 FGADRP CCC[NH+]1CCC(NC(=O)N2CC[C@@H](C)[N@H+](Cc3ccccc3)CC2)CC1 ZINC000466121232 502482732 /nfs/dbraw/zinc/48/27/32/502482732.db2.gz UYFCCFIAKNUSMB-LJQANCHMSA-N 2 0 372.557 3.167 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NCC(C)(C)[NH+]2CCC[C@H](C)C2)C[C@H]1C ZINC000483753181 502483498 /nfs/dbraw/zinc/48/34/98/502483498.db2.gz YOAQIMOWQNDKTJ-KSZLIROESA-N 2 0 352.567 3.011 20 0 FGADRP C[C@@H]1CCN(C(=O)NCc2ccccc2C[N@@H+]2CCCC[C@H]2C)C[C@@H]1C[NH3+] ZINC000582595378 506316569 /nfs/dbraw/zinc/31/65/69/506316569.db2.gz ZTCPVUZUKPQNPJ-OPYAIIAOSA-N 2 0 372.557 3.187 20 0 FGADRP COc1ccc(OC)c(C[NH2+][C@@H](C)c2cccc(OCC[NH+](C)C)c2)c1 ZINC000480263034 502517141 /nfs/dbraw/zinc/51/71/41/502517141.db2.gz KUJXZPZKPXLEKD-INIZCTEOSA-N 2 0 358.482 3.495 20 0 FGADRP CCC[N@H+](CC)Cc1ccc(C(=O)NC[C@]2([NH+](C)C)CCSC2)cc1 ZINC000480273265 502521564 /nfs/dbraw/zinc/52/15/64/502521564.db2.gz GSTHJDOKHGPSNV-HXUWFJFHSA-N 2 0 363.571 3.086 20 0 FGADRP CCC[N@H+](CC)CCNC(=O)N(C)[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000473184584 502538329 /nfs/dbraw/zinc/53/83/29/502538329.db2.gz RQFIIXZKGYMKNW-HXUWFJFHSA-N 2 0 360.546 3.024 20 0 FGADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)N2CC[NH+](C3CCC3)C[C@@H](C)C2)C1 ZINC000487850402 502547594 /nfs/dbraw/zinc/54/75/94/502547594.db2.gz KXUMYVRTFWVFMH-RTBURBONSA-N 2 0 364.578 3.014 20 0 FGADRP C[C@@H](NC(=O)NCC1([NH+](C)C)CCCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000487889867 502557819 /nfs/dbraw/zinc/55/78/19/502557819.db2.gz AKAXBQUETVBPTI-QUCCMNQESA-N 2 0 372.557 3.071 20 0 FGADRP C[C@H](C[NH+]1CCCCC1)NC(=O)N[C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000487894081 502558903 /nfs/dbraw/zinc/55/89/03/502558903.db2.gz HOIJKVKNYJRVDH-SFHLNBCPSA-N 2 0 372.557 3.071 20 0 FGADRP CCC[C@H]([NH2+]C(C)C)C(=O)NC[C@@H](c1cccc(OC)c1)[NH+]1CCCC1 ZINC000473290662 502559768 /nfs/dbraw/zinc/55/97/68/502559768.db2.gz AKOCPQAIPXMDPW-PMACEKPBSA-N 2 0 361.530 3.115 20 0 FGADRP CCC[C@H]([NH2+]C(C)C)C(=O)Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1 ZINC000473323885 502565778 /nfs/dbraw/zinc/56/57/78/502565778.db2.gz HLJQNHFSAGKPPM-NRFANRHFSA-N 2 0 372.557 3.324 20 0 FGADRP CC[NH+]1CCN(Cc2ccc(C[NH2+]Cc3cc(F)ccc3OC)cc2)CC1 ZINC000462786632 502572801 /nfs/dbraw/zinc/57/28/01/502572801.db2.gz ZKCXOEJQQGOZFY-UHFFFAOYSA-N 2 0 371.500 3.262 20 0 FGADRP COc1ccc(Cl)cc1[C@H](CC(C)C)[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000484138493 502580198 /nfs/dbraw/zinc/58/01/98/502580198.db2.gz TUQHLISOTYIFOM-KRWDZBQOSA-N 2 0 354.922 3.482 20 0 FGADRP CCN(C)C(=O)C[NH2+][C@H](CCC[NH+]1CCC(C)CC1)c1ccc(F)cc1 ZINC000462805831 502582754 /nfs/dbraw/zinc/58/27/54/502582754.db2.gz VJHHTOGJLHVZMF-HXUWFJFHSA-N 2 0 363.521 3.447 20 0 FGADRP C[C@@H]([NH2+]Cc1c2c(nn1C)CCCC2)c1cccc(OCC[NH+](C)C)c1 ZINC000462812687 502583848 /nfs/dbraw/zinc/58/38/48/502583848.db2.gz ORHBZBHWRMCHRG-MRXNPFEDSA-N 2 0 356.514 3.090 20 0 FGADRP C[NH+](C)CC[C@@H](NC(=O)c1ccc(Nc2cc[nH+]cc2)cc1)C(C)(C)C ZINC000469907585 502592688 /nfs/dbraw/zinc/59/26/88/502592688.db2.gz OVNJXHMSOXSDTG-LJQANCHMSA-N 2 0 354.498 3.343 20 0 FGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000473496760 502610488 /nfs/dbraw/zinc/61/04/88/502610488.db2.gz IKLMYSSXBKBJJI-FYYLOGMGSA-N 2 0 369.553 3.376 20 0 FGADRP C[C@@H](CNC(=O)c1ccc(Nc2cc[nH+]cc2)cc1)[N@H+](C)Cc1ccccc1 ZINC000469960978 502610815 /nfs/dbraw/zinc/61/08/15/502610815.db2.gz DGJYNECZIDLJSW-SFHVURJKSA-N 2 0 374.488 3.497 20 0 FGADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2ccc3c(c2)COC(C)(C)O3)C1 ZINC000469968196 502612362 /nfs/dbraw/zinc/61/23/62/502612362.db2.gz YAGKEKDQACLYTM-IBGZPJMESA-N 2 0 362.514 3.264 20 0 FGADRP C[C@H]([NH3+])C1CC[NH+](Cc2cc(Br)c3c(c2)OCCCO3)CC1 ZINC000469999109 502625652 /nfs/dbraw/zinc/62/56/52/502625652.db2.gz JHEOUSQDFWCHFF-LBPRGKRZSA-N 2 0 369.303 3.170 20 0 FGADRP CC[NH+](CC)CC1CC[NH+]([C@@H](C)C(=O)N2c3ccccc3C[C@@H]2C)CC1 ZINC000488358553 502692610 /nfs/dbraw/zinc/69/26/10/502692610.db2.gz IZBNLPVQTKQTTN-ROUUACIJSA-N 2 0 357.542 3.407 20 0 FGADRP C[C@@H]1C[C@H]([NH2+]Cc2ccc(OCCO)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000463115229 502699951 /nfs/dbraw/zinc/69/99/51/502699951.db2.gz XEINZEXEAUJLCV-WIYYLYMNSA-N 2 0 354.494 3.200 20 0 FGADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](CO)Cc2cccc(OC(F)(F)F)c2)[C@H](C)C1 ZINC000470249526 502716919 /nfs/dbraw/zinc/71/69/19/502716919.db2.gz XYLDJNLMLXCJOL-KYJSFNMBSA-N 2 0 374.447 3.056 20 0 FGADRP Cc1nc2ccccc2n1CCCCC[N@@H+]1CCOC[C@H]1[C@H]1CCCO1 ZINC000463209847 502719650 /nfs/dbraw/zinc/71/96/50/502719650.db2.gz AZVXCPZZNLTABX-LEWJYISDSA-N 2 0 357.498 3.395 20 0 FGADRP CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)N(C)[C@@H]1CC[NH+](C2CC2)C1 ZINC000470276379 502722787 /nfs/dbraw/zinc/72/27/87/502722787.db2.gz GCKSRGFVMPHTTP-NHCUHLMSSA-N 2 0 372.557 3.021 20 0 FGADRP CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)N1CCC[NH+](C(C)C)CC1 ZINC000470291079 502725975 /nfs/dbraw/zinc/72/59/75/502725975.db2.gz XUQXCOBDVPQITB-OAQYLSRUSA-N 2 0 374.573 3.269 20 0 FGADRP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N1CCC[NH+](C(C)C)CC1 ZINC000470291078 502726847 /nfs/dbraw/zinc/72/68/47/502726847.db2.gz XUQXCOBDVPQITB-NRFANRHFSA-N 2 0 374.573 3.269 20 0 FGADRP CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)N1CCC(C[NH+](C)C)CC1 ZINC000470293481 502727135 /nfs/dbraw/zinc/72/71/35/502727135.db2.gz RAMWGLQZFWBMGX-OAQYLSRUSA-N 2 0 374.573 3.126 20 0 FGADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)N(CC[NH+](C)C)C1CCCC1 ZINC000463260273 502739163 /nfs/dbraw/zinc/73/91/63/502739163.db2.gz BTINZIMOXXJOMC-RXVVDRJESA-N 2 0 372.557 3.023 20 0 FGADRP C[C@H]1C[C@H](N(C)C(=O)c2ccc3c(c2)C[NH2+]C3)CC[N@@H+]1Cc1ccccc1 ZINC000470352615 502746342 /nfs/dbraw/zinc/74/63/42/502746342.db2.gz GOXMRBRFMOCVMZ-HTAPYJJXSA-N 2 0 363.505 3.415 20 0 FGADRP CCc1ccc([C@H](CNC(=O)NC2CC([NH+]3CCCCC3)C2)[NH+](C)C)cc1 ZINC000473970137 502766189 /nfs/dbraw/zinc/76/61/89/502766189.db2.gz ONPDIPPKLUQMAA-CBNMVNINSA-N 2 0 372.557 3.168 20 0 FGADRP Cc1ccccc1C[NH+]1CCC(NC(=O)C[NH2+][C@@H]2CC[C@H](C)C[C@@H]2C)CC1 ZINC000481180066 502775071 /nfs/dbraw/zinc/77/50/71/502775071.db2.gz LDGHFWAHECAAQZ-LQBOVUBWSA-N 2 0 371.569 3.490 20 0 FGADRP CC(C)[C@H](C(=O)NC[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1)[NH+](C)C ZINC000477488527 502786375 /nfs/dbraw/zinc/78/63/75/502786375.db2.gz HIJTWXBPTMBIEE-OLMNPRSZSA-N 2 0 369.912 3.174 20 0 FGADRP C[C@H](NC(=O)NCC[N@@H+]1CCCC[C@@H]1C)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000484974583 502791078 /nfs/dbraw/zinc/79/10/78/502791078.db2.gz SNJIQAINPFGLSB-ZJOUEHCJSA-N 2 0 372.557 3.071 20 0 FGADRP O=C(C[NH2+][C@@H](CC1CCC1)c1ccccc1)NC1CC[NH+](C2CC2)CC1 ZINC000481253251 502797442 /nfs/dbraw/zinc/79/74/42/502797442.db2.gz HPPXRXJORQPGRP-NRFANRHFSA-N 2 0 355.526 3.251 20 0 FGADRP C[C@H](C(=O)N1CCC[N@H+](CCCc2ccccc2)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000513070145 502844345 /nfs/dbraw/zinc/84/43/45/502844345.db2.gz OJYDOEBUVKAGCA-NJDAHSKKSA-N 2 0 371.569 3.415 20 0 FGADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000500823338 502871097 /nfs/dbraw/zinc/87/10/97/502871097.db2.gz AHIOIELRCWCHDR-NHCUHLMSSA-N 2 0 372.557 3.387 20 0 FGADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000500840856 502875158 /nfs/dbraw/zinc/87/51/58/502875158.db2.gz VLSDROHAORWXPK-VAMGGRTRSA-N 2 0 366.594 3.308 20 0 FGADRP COC(=O)c1ccc(C[NH+]2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)nc1 ZINC000509374394 502886016 /nfs/dbraw/zinc/88/60/16/502886016.db2.gz TZJJXWZDZIQPDF-QGZVFWFLSA-N 2 0 359.514 3.345 20 0 FGADRP COc1c(C)cnc(C[N@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)c1C ZINC000501036767 502917799 /nfs/dbraw/zinc/91/77/99/502917799.db2.gz YVCUADJPRWGBGG-UHFFFAOYSA-N 2 0 354.498 3.450 20 0 FGADRP COC(=O)c1ccc([C@@H](C)[N@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)o1 ZINC000501045742 502920446 /nfs/dbraw/zinc/92/04/46/502920446.db2.gz KBWCCCIKFCHWMX-OAHLLOKOSA-N 2 0 357.454 3.371 20 0 FGADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)NC[C@@H](C)[NH+](C)Cc1ccccc1 ZINC000501062268 502925623 /nfs/dbraw/zinc/92/56/23/502925623.db2.gz IKDDCNKACQAVQL-UYAOXDASSA-N 2 0 360.546 3.071 20 0 FGADRP C[N@H+](CCCN1CC[NH+](C)CC1)Cc1ccc(OCc2ccccc2)cc1 ZINC000501126134 502944955 /nfs/dbraw/zinc/94/49/55/502944955.db2.gz AHIZJCFWFIFPNY-UHFFFAOYSA-N 2 0 367.537 3.335 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)NCCC[NH+]1CCCCC1)c1ccsc1 ZINC000501162391 502952115 /nfs/dbraw/zinc/95/21/15/502952115.db2.gz JSZLHZDQJXQJEH-GOSISDBHSA-N 2 0 366.575 3.306 20 0 FGADRP C[C@H](NC(=O)c1ccccc1OCC[NH+](C)C)[C@H](c1ccccc1)[NH+](C)C ZINC000505632720 502954737 /nfs/dbraw/zinc/95/47/37/502954737.db2.gz JEGIVJWPLBRHNG-LAUBAEHRSA-N 2 0 369.509 3.048 20 0 FGADRP CC[N@H+](CCNC(=O)NCC[C@H]1C[C@H](C)[NH+](Cc2ccccc2)C1)C1CC1 ZINC000509710985 502973156 /nfs/dbraw/zinc/97/31/56/502973156.db2.gz HFMDRCPVVNWALC-ICSRJNTNSA-N 2 0 372.557 3.071 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc(C)n(C(C)C)c1C ZINC000505749465 502978431 /nfs/dbraw/zinc/97/84/31/502978431.db2.gz IXOVOXAKJVVGMX-LJQANCHMSA-N 2 0 362.562 3.174 20 0 FGADRP C[N@H+](Cc1ccccc1)[C@@H](CNC(=O)CC[C@@H]1CCCC[NH+]1C)C1CC1 ZINC000505835285 502995818 /nfs/dbraw/zinc/99/58/18/502995818.db2.gz WPUHCTARAQQJQR-SFTDATJTSA-N 2 0 357.542 3.278 20 0 FGADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)NC[C@@H](C2CCCCC2)[NH+](C)C)C1 ZINC000501402458 503002287 /nfs/dbraw/zinc/00/22/87/503002287.db2.gz ZJQVFPORTKCJKT-QUCCMNQESA-N 2 0 366.594 3.308 20 0 FGADRP C[N@@H+]1CCCC[C@H]1CN1CCN(Cc2ccc3c(c2)CC(C)(C)O3)CC1 ZINC000513696701 503002401 /nfs/dbraw/zinc/00/24/01/503002401.db2.gz CIBVZYDZFOFBSJ-FQEVSTJZSA-N 2 0 357.542 3.002 20 0 FGADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)NC[C@H](C2CCCCC2)[NH+](C)C)C1 ZINC000501402459 503002807 /nfs/dbraw/zinc/00/28/07/503002807.db2.gz ZJQVFPORTKCJKT-UYAOXDASSA-N 2 0 366.594 3.308 20 0 FGADRP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)c1cccc(C[N@H+](C)Cc2ccccc2)c1 ZINC000505875428 503003711 /nfs/dbraw/zinc/00/37/11/503003711.db2.gz WCCAGDDSLZUHQU-ZWKOTPCHSA-N 2 0 351.494 3.141 20 0 FGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+][C@@H](C)COC(C)C)CC1 ZINC000501473828 503015826 /nfs/dbraw/zinc/01/58/26/503015826.db2.gz HRRWSXALXBQARM-DLBZAZTESA-N 2 0 351.510 3.432 20 0 FGADRP CC[NH+](CC)CC1CCN(C(=O)NC[C@H](c2ccsc2)[NH+](C)C)CC1 ZINC000501496835 503021647 /nfs/dbraw/zinc/02/16/47/503021647.db2.gz VDIICBBAFOYONZ-GOSISDBHSA-N 2 0 366.575 3.114 20 0 FGADRP CC[C@H](C)[NH2+][C@H](CNC(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1)c1ccco1 ZINC000497835317 503050806 /nfs/dbraw/zinc/05/08/06/503050806.db2.gz GCJHNIWJWBSBBE-LZLYRXPVSA-N 2 0 362.518 3.025 20 0 FGADRP C[NH+](C)CCCC1CCN(C(=O)c2ccc(Nc3cc[nH+]cc3)cc2)CC1 ZINC000501650761 503053332 /nfs/dbraw/zinc/05/33/32/503053332.db2.gz XCBNXVFPNZHYKU-UHFFFAOYSA-N 2 0 366.509 3.441 20 0 FGADRP CC[NH+](CC)Cc1ccc(CNC(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)cc1 ZINC000514024880 503071173 /nfs/dbraw/zinc/07/11/73/503071173.db2.gz PMRGZCUMWSFMIT-LJQANCHMSA-N 2 0 374.573 3.448 20 0 FGADRP C[C@@H](CNC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)[NH+]1CCC(C)CC1 ZINC000514028117 503072459 /nfs/dbraw/zinc/07/24/59/503072459.db2.gz AAPOUNJMCQPCEK-IBGZPJMESA-N 2 0 372.557 3.202 20 0 FGADRP C[C@H](C(=O)N1c2ccccc2C[C@H]1C)[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000501773729 503077548 /nfs/dbraw/zinc/07/75/48/503077548.db2.gz KTPPYVOJWFKJTE-QZTJIDSGSA-N 2 0 357.542 3.407 20 0 FGADRP CCCC[N@H+](C)CC1CCN([C@@H](C(=O)OC)c2ccc(F)cc2)CC1 ZINC000510264051 503081615 /nfs/dbraw/zinc/08/16/15/503081615.db2.gz KHIQBWNHCSBDCX-LJQANCHMSA-N 2 0 350.478 3.484 20 0 FGADRP C[C@@H](CCc1ccc(F)cc1F)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000514086993 503083414 /nfs/dbraw/zinc/08/34/14/503083414.db2.gz FBLMMJKHMOEGPI-INIZCTEOSA-N 2 0 374.479 3.223 20 0 FGADRP COc1ccccc1[C@H](CN[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21)[NH+]1CCCC1 ZINC000514083812 503083791 /nfs/dbraw/zinc/08/37/91/503083791.db2.gz MUPQVRQPIXFFNY-KCLUMXDGSA-N 2 0 357.542 3.295 20 0 FGADRP CC(C)[C@@H](C[NH2+][C@H](C)CCc1ccc(F)cc1F)N1CC[NH+](C)CC1 ZINC000514101002 503087626 /nfs/dbraw/zinc/08/76/26/503087626.db2.gz YRHHPMYLBIGECK-OXQOHEQNSA-N 2 0 353.501 3.148 20 0 FGADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NCCCC[NH+]1CCCC[C@@H]1C ZINC000514126585 503094257 /nfs/dbraw/zinc/09/42/57/503094257.db2.gz JVBWSLNJGKQUGJ-QYZOEREBSA-N 2 0 352.567 3.061 20 0 FGADRP CCC[NH+]1CCC(NC(=O)N[C@@H](C)[C@@H](c2ccccc2C)[NH+](C)C)CC1 ZINC000498106053 503107856 /nfs/dbraw/zinc/10/78/56/503107856.db2.gz FEDYYRNGGRDAER-PXNSSMCTSA-N 2 0 360.546 3.160 20 0 FGADRP Cc1nn(-c2ccc(F)cc2F)c(C)c1CN1CCC[C@]2(CC[NH2+]C2)C1 ZINC000490092631 503108711 /nfs/dbraw/zinc/10/87/11/503108711.db2.gz WWRQMKNGWPXXMF-HXUWFJFHSA-N 2 0 360.452 3.343 20 0 FGADRP CC[C@H](C)[NH2+][C@@H](CNC(=O)NCC1(C[NH+](C)C)CCCC1)c1ccco1 ZINC000501921142 503109460 /nfs/dbraw/zinc/10/94/60/503109460.db2.gz VOSDBDAWXFNCHY-IRXDYDNUSA-N 2 0 364.534 3.130 20 0 FGADRP C[C@H](CCNC(=O)N[C@@H](C)[C@@H](c1ccccc1)[NH+](C)C)[NH+]1CCCCC1 ZINC000501937405 503111390 /nfs/dbraw/zinc/11/13/90/503111390.db2.gz ICDJEOOCLDAGFK-HBFSDRIKSA-N 2 0 360.546 3.242 20 0 FGADRP C[C@H](CC[NH+](C)C)NC(=O)NC[C@@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000514202307 503111480 /nfs/dbraw/zinc/11/14/80/503111480.db2.gz VOHIECDSZYSVRJ-SJORKVTESA-N 2 0 366.575 3.161 20 0 FGADRP CCN(CC[NH+]1CCCCCC1)C(=O)NCC[C@H](C)[NH+]1CCCCC1 ZINC000501952362 503115103 /nfs/dbraw/zinc/11/51/03/503115103.db2.gz XACLBJSMQMOOCH-IBGZPJMESA-N 2 0 352.567 3.158 20 0 FGADRP C[C@@H]1CC[N@H+](C)CCN1C(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000498170343 503124036 /nfs/dbraw/zinc/12/40/36/503124036.db2.gz CFRYWQWRMNCYKX-GOSISDBHSA-N 2 0 374.529 3.109 20 0 FGADRP Cc1ccccc1[C@H]([C@@H](C)NC(=O)c1cccc(C[NH+](C)C)c1)[NH+](C)C ZINC000510521248 503132258 /nfs/dbraw/zinc/13/22/58/503132258.db2.gz IAVFAIXFRLRBFZ-UTKZUKDTSA-N 2 0 353.510 3.478 20 0 FGADRP CCC1CC[NH+](CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)CC1 ZINC000506885240 503189544 /nfs/dbraw/zinc/18/95/44/503189544.db2.gz JUVHSRMLUHXYNW-UHFFFAOYSA-N 2 0 361.555 3.296 20 0 FGADRP CC[NH+](CC)CC1CC[NH+](Cc2ccc(O[C@@H](C)C(=O)OC)cc2)CC1 ZINC000506889821 503190465 /nfs/dbraw/zinc/19/04/65/503190465.db2.gz ITGWVCYGZWVDHY-KRWDZBQOSA-N 2 0 362.514 3.181 20 0 FGADRP CCCN(CC[NH+]1CCCCC1)C(=O)NCc1ccc(CC[NH+](C)C)cc1 ZINC000502402550 503193938 /nfs/dbraw/zinc/19/39/38/503193938.db2.gz YOEZGLOGXOTQSS-UHFFFAOYSA-N 2 0 374.573 3.198 20 0 FGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+]C/C(C)=C\c2ccccc2COC)CC1 ZINC000510845927 503203670 /nfs/dbraw/zinc/20/36/70/503203670.db2.gz PHMUYPVQXKMSID-GRTQGXPSSA-N 2 0 359.558 3.100 20 0 FGADRP CC(C)(C)[C@@H]([NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1)c1ccc(F)cc1 ZINC000507035292 503217780 /nfs/dbraw/zinc/21/77/80/503217780.db2.gz DBUVSHUMHOBRIF-FQEVSTJZSA-N 2 0 361.505 3.246 20 0 FGADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)c2ccccc2CC2CC[NH2+]CC2)C1 ZINC000514939125 503231983 /nfs/dbraw/zinc/23/19/83/503231983.db2.gz KDOKUZOJKXQQGO-LJQANCHMSA-N 2 0 371.569 3.471 20 0 FGADRP O[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]CCc2ccc(F)cc2Cl)CC1 ZINC000514976469 503240225 /nfs/dbraw/zinc/24/02/25/503240225.db2.gz BRXRQRMNUNXIMW-RTBURBONSA-N 2 0 354.897 3.379 20 0 FGADRP C[C@H](CCNC(=O)N1CC[C@H]([NH+]2CCCC2)[C@H]1C)[N@H+](C)Cc1ccccc1 ZINC000498725839 503249490 /nfs/dbraw/zinc/24/94/90/503249490.db2.gz AMGKSGKQJOJNCE-SBHAEUEKSA-N 2 0 372.557 3.165 20 0 FGADRP C[C@@H]1C[N@H+](CCOc2ccc3ccccc3c2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000491023191 503261880 /nfs/dbraw/zinc/26/18/80/503261880.db2.gz URSZMMCTIZZHTD-AUSIDOKSSA-N 2 0 367.537 3.176 20 0 FGADRP CC(C)[C@H]([NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1)c1ccc(F)cn1 ZINC000498936451 503298156 /nfs/dbraw/zinc/29/81/56/503298156.db2.gz HKGZFFYGBMUGLM-FQEVSTJZSA-N 2 0 362.537 3.458 20 0 FGADRP COc1cccc(CC[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC000507456840 503301737 /nfs/dbraw/zinc/30/17/37/503301737.db2.gz ACZNDDMXBRJIBH-SESVDKBCSA-N 2 0 351.494 3.133 20 0 FGADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)NCC[NH+]1CCC(C)CC1)c1ccccc1 ZINC000502927933 503309003 /nfs/dbraw/zinc/30/90/03/503309003.db2.gz FUSSWFQZWIRURK-GOSISDBHSA-N 2 0 360.546 3.147 20 0 FGADRP COc1ccc([C@H](C[NH3+])CN2CCC[N@H+](Cc3ccc(F)cc3)CC2)cc1 ZINC000515352497 503322509 /nfs/dbraw/zinc/32/25/09/503322509.db2.gz FIJLJRRGCCULDS-HXUWFJFHSA-N 2 0 371.500 3.085 20 0 FGADRP C[C@@H](CNC(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1)C[NH+]1CCCC1 ZINC000503038353 503331599 /nfs/dbraw/zinc/33/15/99/503331599.db2.gz KMACFHGLWBKHNO-ROUUACIJSA-N 2 0 360.546 3.147 20 0 FGADRP Cc1cc(Cl)c(C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)cc1C ZINC000511526003 503337140 /nfs/dbraw/zinc/33/71/40/503337140.db2.gz QCQVFYNGAXOTNR-UHFFFAOYSA-N 2 0 353.938 3.302 20 0 FGADRP COc1ccc2c(c1F)CC[C@@H]2[NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000515476795 503346193 /nfs/dbraw/zinc/34/61/93/503346193.db2.gz TZZLVXUTJARGJK-DAYGRLMNSA-N 2 0 350.478 3.301 20 0 FGADRP C[C@@H](NC(=O)NCC(C)(C)C[NH+]1CCCC1)[C@@H](c1ccccc1)[NH+](C)C ZINC000503110769 503349076 /nfs/dbraw/zinc/34/90/76/503349076.db2.gz MMTPOIZMRRHMFN-MJGOQNOKSA-N 2 0 360.546 3.099 20 0 FGADRP COc1ccccc1[C@H](CNC(=O)[C@H](C)[N@H+]1[C@H](C)CC[C@@H]1C)[NH+]1CCCC1 ZINC000507945147 503401061 /nfs/dbraw/zinc/40/10/61/503401061.db2.gz PDSMUDCPCQUCQV-DMUMMCEESA-N 2 0 373.541 3.210 20 0 FGADRP C[C@@H](CNC(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1)C[NH+]1CCCCC1 ZINC000515820015 503406480 /nfs/dbraw/zinc/40/64/80/503406480.db2.gz BJZNIDZHCKRORB-FPOVZHCZSA-N 2 0 372.557 3.072 20 0 FGADRP CC(C)[C@@H](CNC(=O)NC1CC[NH+](C(C)(C)C)CC1)[NH+]1CCCCCC1 ZINC000515820360 503406863 /nfs/dbraw/zinc/40/68/63/503406863.db2.gz IJBNLPKSHBTDSN-LJQANCHMSA-N 2 0 366.594 3.449 20 0 FGADRP CC(C)CN(C(=O)C[N@@H+]1CCC[C@@H](c2ncc3n2CCCC3)C1)C(C)C ZINC000503437000 503408737 /nfs/dbraw/zinc/40/87/37/503408737.db2.gz LPTWRBJINYCFLY-GOSISDBHSA-N 2 0 360.546 3.292 20 0 FGADRP CCC[N@@H+]1CCC[C@H]1CNC(=O)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000511900102 503410770 /nfs/dbraw/zinc/41/07/70/503410770.db2.gz DDFAQVOQGMINKC-UXHICEINSA-N 2 0 364.578 3.014 20 0 FGADRP CC(C)Cc1ccc([C@@H](CNC(=O)NCC2CC[NH+](C)CC2)[NH+](C)C)cc1 ZINC000493807898 503446779 /nfs/dbraw/zinc/44/67/79/503446779.db2.gz IVDYCCSGWDLVMS-OAQYLSRUSA-N 2 0 374.573 3.129 20 0 FGADRP C[NH+](C)CCOc1ccc(CC[NH2+][C@H]2CCc3ccccc3OC2)cc1 ZINC000493846822 503450156 /nfs/dbraw/zinc/45/01/56/503450156.db2.gz QDCIQWFJDGCZDO-FQEVSTJZSA-N 2 0 354.494 3.153 20 0 FGADRP C[C@@H]1CCC[C@@](CNC(=O)NCc2cccc(C[NH+](C)C)c2)([NH+](C)C)C1 ZINC000516155373 503457081 /nfs/dbraw/zinc/45/70/81/503457081.db2.gz VTXIFMKZCYBJCA-DYESRHJHSA-N 2 0 360.546 3.058 20 0 FGADRP C[C@@H]1CCC[C@](CNC(=O)NC[C@H](c2cccs2)[NH+](C)C)([NH+](C)C)C1 ZINC000516154098 503457263 /nfs/dbraw/zinc/45/72/63/503457263.db2.gz WMEGGMUGZPZLAS-MDZRGWNJSA-N 2 0 366.575 3.161 20 0 FGADRP O[C@@H](C[NH2+]CC1CCN(c2cc[nH+]cc2)CC1)Cc1cccc(Cl)c1 ZINC000516175836 503463188 /nfs/dbraw/zinc/46/31/88/503463188.db2.gz VGAVWLWRLDAKFT-HXUWFJFHSA-N 2 0 359.901 3.145 20 0 FGADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)N1CC[C@@H]([NH+]2CCCCC2)C1)c1ccccc1 ZINC000503734191 503466304 /nfs/dbraw/zinc/46/63/04/503466304.db2.gz XHKMZDGWAZGXES-UYAOXDASSA-N 2 0 372.557 3.386 20 0 FGADRP Cc1nc2ccc(C[NH2+]C3CC[NH+]([C@H]4CCCC[C@H]4O)CC3)cc2s1 ZINC000494193284 503501809 /nfs/dbraw/zinc/50/18/09/503501809.db2.gz YAYMPMXHWYTVPN-RBUKOAKNSA-N 2 0 359.539 3.462 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)NC[C@@H](C)C[NH+]1CCCCC1)c1ccccc1 ZINC000516565575 503538360 /nfs/dbraw/zinc/53/83/60/503538360.db2.gz MGYUWSZIVBIADB-TZIWHRDSSA-N 2 0 374.573 3.491 20 0 FGADRP C[C@H](CNC(=O)N[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1)C[NH+]1CCCCC1 ZINC000516582081 503542668 /nfs/dbraw/zinc/54/26/68/503542668.db2.gz QRWFNDIBVGGVRM-SFHLNBCPSA-N 2 0 372.557 3.243 20 0 FGADRP C[C@H](Nc1ccc(N2CCOCC2)nc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508700187 503545744 /nfs/dbraw/zinc/54/57/44/503545744.db2.gz SHVUAJOZNOQXIK-AZUAARDMSA-N 2 0 366.509 3.241 20 0 FGADRP C[C@H](Nc1ccc(N2CCOCC2)cn1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508719128 503550559 /nfs/dbraw/zinc/55/05/59/503550559.db2.gz PAEJUFSTZPIPND-ICSRJNTNSA-N 2 0 366.509 3.241 20 0 FGADRP Cc1cccc(-c2n[nH]cc2C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)c1 ZINC000512464403 503560567 /nfs/dbraw/zinc/56/05/67/503560567.db2.gz XFKRVVLOFFYOEQ-UHFFFAOYSA-N 2 0 368.525 3.319 20 0 FGADRP CC[NH+](CC)Cc1cccc(CNC(=O)NCC[N@@H+]2CCCC[C@H]2C)c1 ZINC000500130020 503561082 /nfs/dbraw/zinc/56/10/82/503561082.db2.gz BYYNJPLLCDFRSM-GOSISDBHSA-N 2 0 360.546 3.202 20 0 FGADRP Cc1ccccc1[C@@H]([C@H](C)NC(=O)N1CCC[N@@H+](C(C)C)CC1)[NH+](C)C ZINC000508854041 503578336 /nfs/dbraw/zinc/57/83/36/503578336.db2.gz SCDYSAPDKYMMSG-AZUAARDMSA-N 2 0 360.546 3.112 20 0 FGADRP CC(C)[NH+]1CCC(NC(=O)N2C[C@@H](C)[N@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000500253423 503589847 /nfs/dbraw/zinc/58/98/47/503589847.db2.gz YRYRIWOEJZFDFZ-MOPGFXCFSA-N 2 0 372.557 3.164 20 0 FGADRP CC(=O)NCC[C@H]1CCC[NH+](CC(C)(C)C[N@H+](C)Cc2ccccc2)C1 ZINC000516814404 503592380 /nfs/dbraw/zinc/59/23/80/503592380.db2.gz AOYSHOSKOQVYQF-OAQYLSRUSA-N 2 0 359.558 3.383 20 0 FGADRP C[C@H](NC(=O)N1CCC(C[NH+]2CCCC2)CC1)[C@@H](c1ccccc1)[NH+](C)C ZINC000508901106 503594400 /nfs/dbraw/zinc/59/44/00/503594400.db2.gz UEWPCOAGWWMEDW-RXVVDRJESA-N 2 0 372.557 3.195 20 0 FGADRP O[C@H](C[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)Cc1ccccc1 ZINC000512613470 503595190 /nfs/dbraw/zinc/59/51/90/503595190.db2.gz RUOQMTKDVMHWNU-CJRSTVEYSA-N 2 0 364.533 3.480 20 0 FGADRP COc1ccc([C@H](C[NH+]2CCCC2)NC(=O)C2CC[NH+](C(C)C)CC2)cc1 ZINC000500393117 503613415 /nfs/dbraw/zinc/61/34/15/503613415.db2.gz LAYZIOTWGUWPDU-NRFANRHFSA-N 2 0 373.541 3.069 20 0 FGADRP CC(C)[NH+](CCN(C)C(=O)N[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)C(C)C ZINC000512693369 503614806 /nfs/dbraw/zinc/61/48/06/503614806.db2.gz IMLLHSYCFYZEKN-MOPGFXCFSA-N 2 0 366.594 3.400 20 0 FGADRP COCC[NH+](CCOC)C1CCN([C@H]2CCc3ccc(Cl)cc32)CC1 ZINC000512853049 503645141 /nfs/dbraw/zinc/64/51/41/503645141.db2.gz ZNMXUPPWMUBGFY-FQEVSTJZSA-N 2 0 366.933 3.387 20 0 FGADRP CCC[N@@H+]1CC[C@H](C[NH2+]C[C@H](O)COc2ccc(-c3ccccc3)cc2)C1 ZINC000517025129 503646747 /nfs/dbraw/zinc/64/67/47/503646747.db2.gz JEYCXCIWIUASOJ-KNQAVFIVSA-N 2 0 368.521 3.415 20 0 FGADRP CSc1ccc(OC[C@@H](O)C[NH2+]C[C@@H]2CCC[N@H+](CC(C)C)C2)cc1 ZINC000517025447 503646961 /nfs/dbraw/zinc/64/69/61/503646961.db2.gz SNTUURXGESPZRD-ROUUACIJSA-N 2 0 366.571 3.106 20 0 FGADRP Cc1c([C@H](C)[NH2+][C@@H](CN2CCN(C)CC2)c2ccccc2)cnn1C(C)C ZINC000527041799 503654950 /nfs/dbraw/zinc/65/49/50/503654950.db2.gz TUVSJSHYXUCMRD-AVRDEDQJSA-N 2 0 369.557 3.412 20 0 FGADRP C[NH+](C)[C@H](CNC(=O)N1CCC[C@H]1C[NH+]1CCCCC1)c1ccsc1 ZINC000517148844 503656207 /nfs/dbraw/zinc/65/62/07/503656207.db2.gz JSXLPOKHDCECNO-ZWKOTPCHSA-N 2 0 364.559 3.011 20 0 FGADRP C[N@H+](CCNC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1)C1CCCC1 ZINC000517090426 503664390 /nfs/dbraw/zinc/66/43/90/503664390.db2.gz MOWRYOQRUMWFIX-UHFFFAOYSA-N 2 0 372.557 3.346 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@H](C)c1ccc(Cl)s1 ZINC000495118871 503674615 /nfs/dbraw/zinc/67/46/15/503674615.db2.gz JCBBIVCBZMNFFM-HUUCEWRRSA-N 2 0 371.978 3.380 20 0 FGADRP C[NH+](C)CCNC(=O)c1ccc(C[NH2+][C@@H]2CCC[C@@H]2c2ccccc2)cc1 ZINC000540175440 503697399 /nfs/dbraw/zinc/69/73/99/503697399.db2.gz IKCNHYWQMLTHSM-FGZHOGPDSA-N 2 0 365.521 3.404 20 0 FGADRP CC(C)[C@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)c1ccc2[nH]c(=O)oc2c1 ZINC000540300941 503732232 /nfs/dbraw/zinc/73/22/32/503732232.db2.gz FIWWBDMTYBKZON-APWZRJJASA-N 2 0 361.486 3.057 20 0 FGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@@H](c2ccc(F)cc2)c2ccccn2)CC1 ZINC000543405520 503757304 /nfs/dbraw/zinc/75/73/04/503757304.db2.gz ZBRGZYOBRFWBDU-AVRDEDQJSA-N 2 0 370.516 3.173 20 0 FGADRP Cc1nn(C)cc1C[NH2+]CCc1ccc(OCC[NH+]2C[C@@H](C)[C@H](C)C2)cc1 ZINC000537023783 503779464 /nfs/dbraw/zinc/77/94/64/503779464.db2.gz MQISBNWPTPQAPG-QZTJIDSGSA-N 2 0 370.541 3.027 20 0 FGADRP Cc1ncc(C[NH2+]CCc2ccc(OCC[NH+]3C[C@H](C)[C@@H](C)C3)cc2)cn1 ZINC000537021844 503780088 /nfs/dbraw/zinc/78/00/88/503780088.db2.gz PACOLBALHCVOQU-ROUUACIJSA-N 2 0 368.525 3.084 20 0 FGADRP CC1(C(=O)NC[C@H]2CC[N@@H+]2C2CCCC2)CC[NH+](Cc2ccccc2)CC1 ZINC000530026345 503799866 /nfs/dbraw/zinc/79/98/66/503799866.db2.gz IMVASQGUMOQHQC-OAQYLSRUSA-N 2 0 369.553 3.422 20 0 FGADRP C[NH+]1CCC2(CC1)C[C@H](NCCC[NH+]1CCCCC1)c1ccccc1O2 ZINC000537167890 503824369 /nfs/dbraw/zinc/82/43/69/503824369.db2.gz LAQMULMBQGPYAK-FQEVSTJZSA-N 2 0 357.542 3.440 20 0 FGADRP CCC(CC)[C@H](CNC(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1)[NH+]1CCCC1 ZINC000543645186 503840073 /nfs/dbraw/zinc/84/00/73/503840073.db2.gz ZINWNQJSCNBUFC-PXNSSMCTSA-N 2 0 366.594 3.259 20 0 FGADRP CN(CCC(=O)NCc1ccccc1C[NH+]1CCCCC1)c1cc[nH+]cc1 ZINC000543715576 503864435 /nfs/dbraw/zinc/86/44/35/503864435.db2.gz XECYWNUQQZNFEY-UHFFFAOYSA-N 2 0 366.509 3.210 20 0 FGADRP CC(C)C[C@H]([NH2+][C@@H](C)c1cccc(C(F)(F)F)c1)C(=O)NCC[NH+](C)C ZINC000540747233 503877630 /nfs/dbraw/zinc/87/76/30/503877630.db2.gz MZONEOGFOHOTMO-YOEHRIQHSA-N 2 0 373.463 3.449 20 0 FGADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)c2c[nH+]ccc2N(C)C)cc1 ZINC000546788267 503877991 /nfs/dbraw/zinc/87/79/91/503877991.db2.gz HYALEIKCAGKJKT-KRWDZBQOSA-N 2 0 366.509 3.452 20 0 FGADRP CCC(CC)[C@@H](CNC(=O)N(C)CCC[NH+]1CCCC1)[NH+]1CCCC1 ZINC000540757851 503882109 /nfs/dbraw/zinc/88/21/09/503882109.db2.gz DSTGZDDIXGFDEI-LJQANCHMSA-N 2 0 352.567 3.014 20 0 FGADRP CCO[C@@H]1C[C@H]([NH2+][C@H](C)c2ccc(OCC[NH+](C)C)cc2)[C@@]12CCCO2 ZINC000546871581 503910690 /nfs/dbraw/zinc/91/06/90/503910690.db2.gz AQDUGCVQOPKHJB-RCOXNQKVSA-N 2 0 362.514 3.004 20 0 FGADRP CSc1ccc([C@@H](C)[NH2+][C@@H](CC(C)C)C(=O)NCC[NH+](C)C)cc1 ZINC000537443789 503916974 /nfs/dbraw/zinc/91/69/74/503916974.db2.gz FSAMHSSEVRVDSF-QAPCUYQASA-N 2 0 351.560 3.152 20 0 FGADRP CCC[N@@H+]1CC[C@H](CNC(=O)N2CCC(CCC[NH+](CC)CC)CC2)C1 ZINC000543906334 503937564 /nfs/dbraw/zinc/93/75/64/503937564.db2.gz GWJWQCCHYCIVNN-HXUWFJFHSA-N 2 0 366.594 3.262 20 0 FGADRP CN(CCC(=O)NCC1([NH+]2CCCCC2)CCCCC1)c1cc[nH+]cc1 ZINC000540929147 503941867 /nfs/dbraw/zinc/94/18/67/503941867.db2.gz DTCDQMDNGXUUSD-UHFFFAOYSA-N 2 0 358.530 3.213 20 0 FGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H](C)c2cc(-c3ccccc3)n(C)n2)CC1 ZINC000527859334 503976278 /nfs/dbraw/zinc/97/62/78/503976278.db2.gz PUSPEZKSDYUBBA-RTBURBONSA-N 2 0 369.557 3.011 20 0 FGADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)Cn2c(C)nc3ccccc32)C1 ZINC000530639462 504034599 /nfs/dbraw/zinc/03/45/99/504034599.db2.gz VHFJVPQWEKZBDS-QGZVFWFLSA-N 2 0 356.514 3.362 20 0 FGADRP Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)[NH2+]C[C@@]1(O)CCN(C)C1 ZINC000547281522 504046466 /nfs/dbraw/zinc/04/64/66/504046466.db2.gz BWPMGYXGUXZLEQ-XIKOKIGWSA-N 2 0 365.930 3.489 20 0 FGADRP CC[N@H+](CCC1CC[NH+]([C@@H](C)C(=O)N2CCC(C)CC2)CC1)CC1CC1 ZINC000537849231 504064088 /nfs/dbraw/zinc/06/40/88/504064088.db2.gz HGSYRJVEPGXOFB-IBGZPJMESA-N 2 0 363.590 3.467 20 0 FGADRP C[C@H](CCNC(=O)N[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1)[NH+]1CCCCC1 ZINC000544286226 504073268 /nfs/dbraw/zinc/07/32/68/504073268.db2.gz IPJIXKLKHJSABN-SVFBPWRDSA-N 2 0 372.557 3.213 20 0 FGADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)NC[C@H]2CC[NH+]2C2CCCCC2)C1 ZINC000528146441 504090941 /nfs/dbraw/zinc/09/09/41/504090941.db2.gz ACVZEHILZHBQMI-UYAOXDASSA-N 2 0 364.578 3.061 20 0 FGADRP C[C@@H](CCN1C(=O)c2ccccc2C1=O)[NH2+]CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000547421164 504098522 /nfs/dbraw/zinc/09/85/22/504098522.db2.gz XWFXWINOUKONOM-KSZLIROESA-N 2 0 371.525 3.019 20 0 FGADRP C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000518963887 504104379 /nfs/dbraw/zinc/10/43/79/504104379.db2.gz RHFILESPBONTDM-HXUWFJFHSA-N 2 0 357.473 3.196 20 0 FGADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1ccc2[nH]c3c(c2c1)CCCCC3 ZINC000530880666 504117909 /nfs/dbraw/zinc/11/79/09/504117909.db2.gz MCCOTFQPDSYFMU-UHFFFAOYSA-N 2 0 370.541 3.002 20 0 FGADRP C[N@H+](CCCNC(=O)N1CCC[C@@H]1C[NH+]1CCCCC1)Cc1ccccc1 ZINC000519172657 504156344 /nfs/dbraw/zinc/15/63/44/504156344.db2.gz JWUIQXKRBUPLBE-OAQYLSRUSA-N 2 0 372.557 3.168 20 0 FGADRP C[C@H]1C[N@H+](CCOc2ccc(CC[NH2+][C@@H]3CCO[C@H](C)C3)cc2)C[C@H]1C ZINC000538196793 504158997 /nfs/dbraw/zinc/15/89/97/504158997.db2.gz ALLGUYLADBIEJQ-RCLSDMTESA-N 2 0 360.542 3.353 20 0 FGADRP CC(C)[N@@H+]1CC[C@@H](CNC(=O)NC[C@H]2CCC[NH+]2CC2CCCCC2)C1 ZINC000531003662 504159039 /nfs/dbraw/zinc/15/90/39/504159039.db2.gz HDIXIPWLZVAMSI-VQTJNVASSA-N 2 0 364.578 3.061 20 0 FGADRP C[C@@H](C(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000531079973 504182886 /nfs/dbraw/zinc/18/28/86/504182886.db2.gz BNHDXLIFQREOPC-JTOWHCCKSA-N 2 0 351.922 3.320 20 0 FGADRP CCC(C)(C)[NH2+][C@H](C)C(=O)NC[C@H](c1ccc(OC)cc1)[NH+]1CCCC1 ZINC000541582433 504186551 /nfs/dbraw/zinc/18/65/51/504186551.db2.gz XCAATJQIOXLBCC-VQIMIIECSA-N 2 0 361.530 3.115 20 0 FGADRP CCC[NH+]1CCC(NC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000541583400 504187559 /nfs/dbraw/zinc/18/75/59/504187559.db2.gz QJGLBXDXZADRLN-UHFFFAOYSA-N 2 0 357.542 3.279 20 0 FGADRP C[C@@H](C[NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1)Cc1ccccc1 ZINC000541587893 504188905 /nfs/dbraw/zinc/18/89/05/504188905.db2.gz WTNPLGGTXKGIAO-GOSISDBHSA-N 2 0 359.558 3.082 20 0 FGADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@@H]2CCOC3(CCOCC3)C2)CC1 ZINC000519443228 504221647 /nfs/dbraw/zinc/22/16/47/504221647.db2.gz IAZFRTLVBWJQET-RLLQIKCJSA-N 2 0 350.547 3.347 20 0 FGADRP CC[C@H]([NH2+]CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)c1ccc(C)cc1 ZINC000547787138 504225266 /nfs/dbraw/zinc/22/52/66/504225266.db2.gz HDBBUFRNYNELDC-SFTDATJTSA-N 2 0 353.510 3.455 20 0 FGADRP C[C@H]([NH2+]C[C@H](CO)Cc1ccccc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000547827808 504238675 /nfs/dbraw/zinc/23/86/75/504238675.db2.gz AQWDUFKQCMZLEG-WWPVKYPJSA-N 2 0 352.522 3.338 20 0 FGADRP CC[C@@H](C(=O)NC[C@H](c1ccc(SC)cc1)[NH+](C)C)[NH+](CC)CC ZINC000519532166 504243042 /nfs/dbraw/zinc/24/30/42/504243042.db2.gz HODHWZSBWBFNTP-ZWKOTPCHSA-N 2 0 351.560 3.248 20 0 FGADRP CC(C)Oc1ccc(C[NH+]2CCC(C)(C[NH+]3CCN(C)CC3)CC2)cc1 ZINC000541764463 504246130 /nfs/dbraw/zinc/24/61/30/504246130.db2.gz IMEZBAWEEADDCM-UHFFFAOYSA-N 2 0 359.558 3.323 20 0 FGADRP C[C@H]1CCC[N@H+](Cc2ccccc2C[NH2+][C@@H](Cc2ccccc2)C(N)=O)C1 ZINC000541800314 504258217 /nfs/dbraw/zinc/25/82/17/504258217.db2.gz WUPGOEHIUKIQBD-AVRDEDQJSA-N 2 0 365.521 3.105 20 0 FGADRP Cc1cc(C(=O)Nc2cnccc2-n2ccnc2)nn1-c1ccc(C)cc1 ZINC000538571662 504288301 /nfs/dbraw/zinc/28/83/01/504288301.db2.gz UERQEDZBFUYJEY-UHFFFAOYSA-N 2 0 358.405 3.322 20 0 FGADRP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC000548065342 504316039 /nfs/dbraw/zinc/31/60/39/504316039.db2.gz YUXUTNVOJNLCBO-SFHVURJKSA-N 2 0 372.557 3.378 20 0 FGADRP C[C@H]([NH2+]C[C@H](O)CCc1ccccc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000548158939 504352128 /nfs/dbraw/zinc/35/21/28/504352128.db2.gz LWUCJPHSPKVJNI-WWPVKYPJSA-N 2 0 352.522 3.480 20 0 FGADRP C[C@H](CC[NH+](C)C)NC(=O)Nc1cccc(CC[NH+]2CCC(C)CC2)c1 ZINC000538773705 504364923 /nfs/dbraw/zinc/36/49/23/504364923.db2.gz ASEGCRWBCLEXQI-GOSISDBHSA-N 2 0 360.546 3.423 20 0 FGADRP CC1CC[NH+](CC(=O)NCc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)CC1 ZINC000531624135 504367986 /nfs/dbraw/zinc/36/79/86/504367986.db2.gz ZSDBIDGRPYXJST-IBGZPJMESA-N 2 0 357.542 3.409 20 0 FGADRP CC(C)COCCC[NH2+]Cc1c(Cl)cccc1N1CC[NH+](C)CC1 ZINC000538850648 504393134 /nfs/dbraw/zinc/39/31/34/504393134.db2.gz RHBHWQIWCUAVIV-UHFFFAOYSA-N 2 0 353.938 3.244 20 0 FGADRP CCCCOc1ccccc1C[N@@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000545239934 504411122 /nfs/dbraw/zinc/41/11/22/504411122.db2.gz WTCZFCCTGAPIOO-NRFANRHFSA-N 2 0 359.558 3.466 20 0 FGADRP C[C@@H](CCN1C(=O)c2ccccc2C1=O)[NH2+]CCCCC[NH+]1CCCCC1 ZINC000545246074 504413554 /nfs/dbraw/zinc/41/35/54/504413554.db2.gz BXSCIQKJOZKAON-SFHVURJKSA-N 2 0 371.525 3.307 20 0 FGADRP C[C@H](CCN1C(=O)c2ccccc2C1=O)[NH2+]CCCC[N@@H+]1CCCC[C@@H]1C ZINC000545246261 504414162 /nfs/dbraw/zinc/41/41/62/504414162.db2.gz JCKUMTBZDRIYCI-MSOLQXFVSA-N 2 0 371.525 3.305 20 0 FGADRP COc1ccc(-c2ccccc2)cc1C[NH2+]C[C@@H](C)CN1CC[NH+](C)CC1 ZINC000531789210 504424037 /nfs/dbraw/zinc/42/40/37/504424037.db2.gz CURPETAANPMRMB-LJQANCHMSA-N 2 0 367.537 3.335 20 0 FGADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]C[C@@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000539048130 504456320 /nfs/dbraw/zinc/45/63/20/504456320.db2.gz ZTLNSCXIYRLOFZ-UVDFWXMISA-N 2 0 353.913 3.402 20 0 FGADRP Cc1cc(C[NH2+]CC2(O)CC[NH+](C(C)C)CC2)sc1Br ZINC000531953386 504485182 /nfs/dbraw/zinc/48/51/82/504485182.db2.gz LIXGKJISGTYSCL-UHFFFAOYSA-N 2 0 361.349 3.144 20 0 FGADRP CC(C)c1ccc2c(c1)[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1)CCC2 ZINC000535624257 504489130 /nfs/dbraw/zinc/48/91/30/504489130.db2.gz LQAJWKDZEDOLDQ-FPOVZHCZSA-N 2 0 357.542 3.364 20 0 FGADRP Cc1nn(-c2cc[nH+]cc2)cc1CN1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000542465851 504500576 /nfs/dbraw/zinc/50/05/76/504500576.db2.gz MKXLZFZBSWSMPS-UWJYYQICSA-N 2 0 351.498 3.024 20 0 FGADRP CN(CC[N@H+](C)CCOc1cc(Cl)ccc1Cl)C1CC[NH+](C)CC1 ZINC000539220229 504501085 /nfs/dbraw/zinc/50/10/85/504501085.db2.gz LYXAJUJWFVHCLS-UHFFFAOYSA-N 2 0 374.356 3.330 20 0 FGADRP C[C@@H]1CCCN1C(=O)CC[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000535678610 504504633 /nfs/dbraw/zinc/50/46/33/504504633.db2.gz CWELVUGEGRGHOG-HXUWFJFHSA-N 2 0 369.553 3.376 20 0 FGADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H](c2cccnc2)c2ccc(F)c(C)c2)CC1 ZINC000542480081 504508364 /nfs/dbraw/zinc/50/83/64/504508364.db2.gz WPYRILMIMMFJLQ-AVRDEDQJSA-N 2 0 370.516 3.234 20 0 FGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]CCN2CCCCC2)CC1 ZINC000539308384 504526421 /nfs/dbraw/zinc/52/64/21/504526421.db2.gz HKJMLCUWKHNEPE-SFHVURJKSA-N 2 0 362.537 3.104 20 0 FGADRP CC(C)C[C@H](CNC(=O)NC[C@@H]1CCC[N@H+](C)C1)[NH2+][C@@H](C)c1ccccc1 ZINC000532075836 504526714 /nfs/dbraw/zinc/52/67/14/504526714.db2.gz VPMIFXLAHYMLPH-IRFCIJBXSA-N 2 0 374.573 3.393 20 0 FGADRP C[C@@H]1C[C@@H](NC(=O)CC[NH+](C)C2CCCCC2)C[N@@H+]1Cc1ccccc1 ZINC000548714977 504538568 /nfs/dbraw/zinc/53/85/68/504538568.db2.gz BLQVELDAMFFXQT-UYAOXDASSA-N 2 0 357.542 3.420 20 0 FGADRP CC[C@H]([NH2+]Cc1ccc(CN2CC[NH+](CC)CC2)cc1)C1CCOCC1 ZINC000532192731 504569064 /nfs/dbraw/zinc/56/90/64/504569064.db2.gz GRDRFYCWPPRLMZ-QFIPXVFZSA-N 2 0 359.558 3.119 20 0 FGADRP COc1cc(C[NH2+]C[C@@H]2CC[N@@H+](C(C)C)C2)ccc1OCC(F)(F)F ZINC000548834327 504584123 /nfs/dbraw/zinc/58/41/23/504584123.db2.gz SXGVLTBEWMMMBN-HNNXBMFYSA-N 2 0 360.420 3.456 20 0 FGADRP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000535939289 504588225 /nfs/dbraw/zinc/58/82/25/504588225.db2.gz XONXZKXTZYXOFA-PMACEKPBSA-N 2 0 364.578 3.014 20 0 FGADRP CC(C)[NH+]1CCC(O)(C[NH2+]Cc2cc(Cl)ccc2OC(F)F)CC1 ZINC000532373548 504626764 /nfs/dbraw/zinc/62/67/64/504626764.db2.gz JBDCSXGZIRGJMY-UHFFFAOYSA-N 2 0 362.848 3.266 20 0 FGADRP CC(C)[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000529341235 504639389 /nfs/dbraw/zinc/63/93/89/504639389.db2.gz PWFHOILVWCUQDL-LEWJYISDSA-N 2 0 372.557 3.071 20 0 FGADRP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)c1sccc1Br ZINC000532505486 504673902 /nfs/dbraw/zinc/67/39/02/504673902.db2.gz DKIJRVVVFHDJAL-OLZOCXBDSA-N 2 0 361.349 3.398 20 0 FGADRP Cc1cc2occ(C(=O)Nc3c[nH+]ccc3N3CCN(C)CC3)c2cc1C ZINC000546018767 504676498 /nfs/dbraw/zinc/67/64/98/504676498.db2.gz LPCKFRUDBCWDJI-UHFFFAOYSA-N 2 0 364.449 3.449 20 0 FGADRP C[C@@H](c1cccc2ccccc21)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000532537968 504685364 /nfs/dbraw/zinc/68/53/64/504685364.db2.gz BSCFASFBZDBMCL-LAUBAEHRSA-N 2 0 351.494 3.139 20 0 FGADRP COCc1ccc(C[N@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)cc1 ZINC000539825350 504705900 /nfs/dbraw/zinc/70/59/00/504705900.db2.gz SNADVKGOFJQTBF-UHFFFAOYSA-N 2 0 373.585 3.461 20 0 FGADRP CC1(C)CCC[C@@H]([NH2+]Cc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)C1 ZINC000532616066 504711582 /nfs/dbraw/zinc/71/15/82/504711582.db2.gz RDXQWBGXIHEISH-VQTJNVASSA-N 2 0 357.542 3.442 20 0 FGADRP CC(C)c1ccc([C@H]([NH3+])CNC(=O)N2CCCC[C@@H]2[C@H]2CCC[NH2+]C2)cc1 ZINC000521411459 504730554 /nfs/dbraw/zinc/73/05/54/504730554.db2.gz DWTJBTAODHMKOC-PWRODBHTSA-N 2 0 372.557 3.374 20 0 FGADRP CCC[NH+]1CCN(c2ccccc2C[N@@H+]2CCC[C@H]3COCC[C@H]32)CC1 ZINC000539890771 504731828 /nfs/dbraw/zinc/73/18/28/504731828.db2.gz MMINEEQLQZNTHB-RBBKRZOGSA-N 2 0 357.542 3.220 20 0 FGADRP C[C@@H]([NH2+]C[C@]1(O)CCN(Cc2ccccc2)C1)[C@@H]1C[C@H]1c1ccccc1 ZINC000549236040 504734008 /nfs/dbraw/zinc/73/40/08/504734008.db2.gz VFRHGIXKXWNWPT-HGSOSGBHSA-N 2 0 350.506 3.405 20 0 FGADRP CCCC[N@H+](C)CC1CC[NH+]([C@@H](C)C(=O)NCCc2ccccc2C)CC1 ZINC000521429772 504736030 /nfs/dbraw/zinc/73/60/30/504736030.db2.gz ACCWMIQGPZSWDR-FQEVSTJZSA-N 2 0 373.585 3.486 20 0 FGADRP Cc1cc(NC[C@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)cc[nH+]1 ZINC000549244985 504736311 /nfs/dbraw/zinc/73/63/11/504736311.db2.gz MDJUUYWSTPGVGA-FQEVSTJZSA-N 2 0 351.494 3.153 20 0 FGADRP CC(C)[C@@H](CNC(=O)c1ccc(CC[NH+](C)C)cc1)[NH+]1CCC(C)CC1 ZINC000552970624 504796123 /nfs/dbraw/zinc/79/61/23/504796123.db2.gz XSEAFTCVAIPHOS-OAQYLSRUSA-N 2 0 359.558 3.277 20 0 FGADRP C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)c2ccccc2CC[NH3+])C1 ZINC000565150913 504808579 /nfs/dbraw/zinc/80/85/79/504808579.db2.gz IZCGLWHOADYVTF-GOSISDBHSA-N 2 0 365.521 3.350 20 0 FGADRP CC(C)c1[nH+]c(CN2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)c2ccccn21 ZINC000556273186 504833891 /nfs/dbraw/zinc/83/38/91/504833891.db2.gz OGIHDUIYKSJKEY-LJQANCHMSA-N 2 0 369.557 3.060 20 0 FGADRP C[NH+](C)CCc1ccc(C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)cc1 ZINC000553177500 504846031 /nfs/dbraw/zinc/84/60/31/504846031.db2.gz FJKYJLNXHJLELZ-LJQANCHMSA-N 2 0 371.550 3.419 20 0 FGADRP CC1CC[NH+](CCc2cccc(NC(=O)N[C@H]3CC[NH2+]C[C@@H]3C)c2)CC1 ZINC000565292040 504846206 /nfs/dbraw/zinc/84/62/06/504846206.db2.gz JLRRRZDITYOMLK-PXNSSMCTSA-N 2 0 358.530 3.081 20 0 FGADRP O=C(NCC1CC[NH+](Cc2ccccc2Cl)CC1)[C@H]1CCCCC[NH2+]1 ZINC000565368541 504867596 /nfs/dbraw/zinc/86/75/96/504867596.db2.gz VLAKYUUMRLGEOY-LJQANCHMSA-N 2 0 363.933 3.200 20 0 FGADRP C[N@@H+]1CCN(CCC[NH2+]C2CCC3(CCCO3)CC2)[C@H](c2ccccc2)C1 ZINC000556510387 504892985 /nfs/dbraw/zinc/89/29/85/504892985.db2.gz JRRYQQICKLYXPU-KOENEWCDSA-N 2 0 371.569 3.447 20 0 FGADRP Cc1cccc([C@H]([NH2+]CC(=O)NC2CC[NH+](C3CC3)CC2)C(C)(C)C)c1 ZINC000553364645 504894579 /nfs/dbraw/zinc/89/45/79/504894579.db2.gz WLNDSFIEXIBJTH-NRFANRHFSA-N 2 0 357.542 3.415 20 0 FGADRP C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000553390818 504902011 /nfs/dbraw/zinc/90/20/11/504902011.db2.gz PWIMINDVJBFSQK-RXVVDRJESA-N 2 0 370.541 3.051 20 0 FGADRP CC1CC[NH+](C[C@H]2CCCN(C(=O)c3ccc(CC[NH+](C)C)cc3)C2)CC1 ZINC000553405696 504906918 /nfs/dbraw/zinc/90/69/18/504906918.db2.gz XNQUJTAXDYNHIC-OAQYLSRUSA-N 2 0 371.569 3.375 20 0 FGADRP Cc1cc(C)c(NC(=O)[C@H](C)[NH+]2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)c(C)c1 ZINC000565648671 504948191 /nfs/dbraw/zinc/94/81/91/504948191.db2.gz SRXNNHSEISZEFI-IHPCNDPISA-N 2 0 373.541 3.157 20 0 FGADRP C[N@@H+]1CCCC[C@H]1CCC(=O)N1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000556832953 504988904 /nfs/dbraw/zinc/98/89/04/504988904.db2.gz NTMJITHHEIFYLS-SFHVURJKSA-N 2 0 366.509 3.148 20 0 FGADRP c1ccc(C[N@H+]2C[C@H](C[NH2+][C@@H]3CCCSC3)C3(C2)CCOCC3)cc1 ZINC000550262681 505005847 /nfs/dbraw/zinc/00/58/47/505005847.db2.gz NQMBSIPRCUWJKY-VQTJNVASSA-N 2 0 360.567 3.400 20 0 FGADRP C(CC[NH+]1CCC[C@@H]1[C@@H]1CCCO1)CC[N@@H+]1CCC[C@H]1[C@@H]1CCCO1 ZINC000560184339 505014219 /nfs/dbraw/zinc/01/42/19/505014219.db2.gz QJPIIWNVINYYLH-WOZUAGRISA-N 2 0 350.547 3.444 20 0 FGADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2cn(-c3ccccc3)nc2C)C1 ZINC000556925967 505019103 /nfs/dbraw/zinc/01/91/03/505019103.db2.gz PSPFFCCTTDAJKH-OAQYLSRUSA-N 2 0 356.514 3.113 20 0 FGADRP CC(C)(C)[N@@H+]1CCc2nc(NC(=O)c3ccc4c[nH+]cn4c3)sc2C1 ZINC000563017069 505022161 /nfs/dbraw/zinc/02/21/61/505022161.db2.gz OMWOYQTYQRDRFD-UHFFFAOYSA-N 2 0 355.467 3.200 20 0 FGADRP C[NH+](C)CCCN(CCC[NH+](C)C)Cc1ccc(Br)cc1F ZINC000557047531 505053368 /nfs/dbraw/zinc/05/33/68/505053368.db2.gz LKBGIKPHBOTRBC-UHFFFAOYSA-N 2 0 374.342 3.294 20 0 FGADRP C[NH+](C)CCCCC(=O)N(CC[NH+]1CCCC1)Cc1ccc(Cl)cc1 ZINC000560350051 505053992 /nfs/dbraw/zinc/05/39/92/505053992.db2.gz IOYOEBPQAZBFEO-UHFFFAOYSA-N 2 0 365.949 3.496 20 0 FGADRP [NH3+][C@@H]1CCC[C@H](CNC(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)C1 ZINC000566056237 505067928 /nfs/dbraw/zinc/06/79/28/505067928.db2.gz CZZKXWIZQXIMKG-RBUKOAKNSA-N 2 0 358.530 3.354 20 0 FGADRP CC(C)[N@H+](C)Cc1cccc(CNC(=O)[C@]2(c3ccccc3)CC[NH2+]C2)c1 ZINC000563198348 505073352 /nfs/dbraw/zinc/07/33/52/505073352.db2.gz SNCDGUUUUHEYOC-HSZRJFAPSA-N 2 0 365.521 3.074 20 0 FGADRP Cc1cc(NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)ccc1-c1ccncc1 ZINC000560429936 505081742 /nfs/dbraw/zinc/08/17/42/505081742.db2.gz VDHHWXUPRWYGKM-UHFFFAOYSA-N 2 0 369.513 3.014 20 0 FGADRP CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)C[C@@H]1CCCC[C@@H]1[NH3+] ZINC000566171969 505104518 /nfs/dbraw/zinc/10/45/18/505104518.db2.gz LDKJKVMQMJDPAP-IRXDYDNUSA-N 2 0 371.529 3.224 20 0 FGADRP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@H](CC(C)(C)C)[NH2+]C ZINC000566181568 505105875 /nfs/dbraw/zinc/10/58/75/505105875.db2.gz PAVNGGVLQWQMMN-PMACEKPBSA-N 2 0 359.558 3.381 20 0 FGADRP NC(=O)C1(C[NH2+][C@@H]2CCCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CCCC1 ZINC000560524502 505114987 /nfs/dbraw/zinc/11/49/87/505114987.db2.gz DFLANTLPYIIMKQ-PWRODBHTSA-N 2 0 369.553 3.313 20 0 FGADRP Cc1cc(C)c([C@H](C)[N@@H+]2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)c(C)c1 ZINC000566244296 505121801 /nfs/dbraw/zinc/12/18/01/505121801.db2.gz QLUZZZJKGMUDKZ-ZCNNSNEGSA-N 2 0 357.542 3.253 20 0 FGADRP [NH3+]Cc1ccc(C(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)cc1 ZINC000554300879 505138943 /nfs/dbraw/zinc/13/89/43/505138943.db2.gz GZJRJRVIARUQNU-LJQANCHMSA-N 2 0 357.885 3.366 20 0 FGADRP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000563581360 505183003 /nfs/dbraw/zinc/18/30/03/505183003.db2.gz OSXGBGGJAXTGDT-OVWQWFNUSA-N 2 0 364.559 3.042 20 0 FGADRP O[C@@H]1CCC[C@@H]1[NH+]1CCC([NH2+][C@@H](C[C@@H]2CCOC2)c2ccccc2)CC1 ZINC000560917098 505211248 /nfs/dbraw/zinc/21/12/48/505211248.db2.gz FDBUTPWMBHPYDC-AGOPTVSRSA-N 2 0 358.526 3.122 20 0 FGADRP C[NH+](C)CCCOc1cnccc1C[NH2+]Cc1cc2ccc(F)cc2[nH]1 ZINC000566583735 505212221 /nfs/dbraw/zinc/21/22/21/505212221.db2.gz DLHBOHRCBFLEIH-UHFFFAOYSA-N 2 0 356.445 3.322 20 0 FGADRP CCC[NH+]1CCN(c2ccccc2C[NH2+]CC2CC[NH+](CC)CC2)CC1 ZINC000554586417 505214168 /nfs/dbraw/zinc/21/41/68/505214168.db2.gz GBSUZJQBBQDGKG-UHFFFAOYSA-N 3 0 358.574 3.040 20 0 FGADRP C[C@@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000560943333 505214261 /nfs/dbraw/zinc/21/42/61/505214261.db2.gz XOMVOZNNBOKUOI-UONOGXRCSA-N 2 0 357.420 3.402 20 0 FGADRP CC1CC[NH+](CCc2cccc(NC(=O)NC[C@H]3CCC[NH2+]C3)c2)CC1 ZINC000561003793 505228251 /nfs/dbraw/zinc/22/82/51/505228251.db2.gz NZYBMUNFIRIUKB-IBGZPJMESA-N 2 0 358.530 3.082 20 0 FGADRP C[C@@H]([NH3+])[C@@H]1CCN(C(=O)NCc2ccccc2C[N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000566727235 505256817 /nfs/dbraw/zinc/25/68/17/505256817.db2.gz DCSWLSWQYNSEKT-AJYBTWMASA-N 2 0 372.557 3.043 20 0 FGADRP COc1ccc([C@@H](C[NH3+])CN2CC[C@@H](C)[N@H+](Cc3ccccc3)CC2)cc1 ZINC000566741218 505260937 /nfs/dbraw/zinc/26/09/37/505260937.db2.gz UJSCUMHFLLOKRX-KNQAVFIVSA-N 2 0 367.537 3.334 20 0 FGADRP CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)C2CC[NH+](C(C)C)CC2)c1 ZINC000564029765 505305721 /nfs/dbraw/zinc/30/57/21/505305721.db2.gz NJPAENBFJODVBE-UHFFFAOYSA-N 2 0 374.529 3.026 20 0 FGADRP O[C@H](C[NH2+][C@@H]1CCC[C@H]1c1cccc(C(F)(F)F)c1)C[NH+]1CCCC1 ZINC000551789827 505307336 /nfs/dbraw/zinc/30/73/36/505307336.db2.gz SGQSIYIQFFRQAD-FGTMMUONSA-N 2 0 356.432 3.388 20 0 FGADRP C[C@@H](CC(=O)OC(C)(C)C)[NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000551814112 505316573 /nfs/dbraw/zinc/31/65/73/505316573.db2.gz LFKVEHMXCXNXQP-INIZCTEOSA-N 2 0 362.514 3.370 20 0 FGADRP CCC[NH+]1CCC([NH2+]CCC(=O)Nc2cccc(Br)c2)CC1 ZINC000566939677 505317074 /nfs/dbraw/zinc/31/70/74/505317074.db2.gz BFRIRDLWTHGPIG-UHFFFAOYSA-N 2 0 368.319 3.242 20 0 FGADRP [NH3+]CCCC(=O)NCc1ccccc1-c1ccc(C[NH+]2CCCC2)cc1 ZINC000558159207 505323494 /nfs/dbraw/zinc/32/34/94/505323494.db2.gz WKPAEGFLVLXXBW-UHFFFAOYSA-N 2 0 351.494 3.305 20 0 FGADRP C[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCC2(CCCC2)CC1 ZINC000567001023 505334293 /nfs/dbraw/zinc/33/42/93/505334293.db2.gz DFKXZGGIXDLCEO-CTNGQTDRSA-N 2 0 369.553 3.422 20 0 FGADRP C[NH+](C)C[C@H](N[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1ccc(F)cc1 ZINC000558252371 505344993 /nfs/dbraw/zinc/34/49/93/505344993.db2.gz LCGVDDOCYLVFNR-YADHBBJMSA-N 2 0 355.501 3.335 20 0 FGADRP Cc1ccccc1[C@H]([NH3+])C(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000567046555 505348181 /nfs/dbraw/zinc/34/81/81/505348181.db2.gz GUPNELKWDTWWSJ-MNEFBYGVSA-N 2 0 357.523 3.256 20 0 FGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCc1ccccc1C[NH+]1CCC(C)CC1 ZINC000558326577 505361215 /nfs/dbraw/zinc/36/12/15/505361215.db2.gz RQUTYDUBUGMRNW-OAQYLSRUSA-N 2 0 357.542 3.409 20 0 FGADRP [NH3+][C@@H](CCC(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1)CC1CCCCC1 ZINC000567103019 505364356 /nfs/dbraw/zinc/36/43/56/505364356.db2.gz YVHZAGQMHGPLDI-SLFFLAALSA-N 2 0 361.505 3.157 20 0 FGADRP C[C@H](NC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)[C@@H](c1ccccc1)[NH+](C)C ZINC000558349319 505365675 /nfs/dbraw/zinc/36/56/75/505365675.db2.gz UQNFXPDPAGMRPB-YJBOKZPZSA-N 2 0 360.546 3.286 20 0 FGADRP CCCC[N@H+](C)C[C@@H](C)NC(=O)N[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000555162635 505367875 /nfs/dbraw/zinc/36/78/75/505367875.db2.gz RJGHQIOATYVVMK-SFHLNBCPSA-N 2 0 374.573 3.459 20 0 FGADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@H](c1cccc(OC(F)(F)F)c1)C1CC1 ZINC000552044646 505380144 /nfs/dbraw/zinc/38/01/44/505380144.db2.gz JCYWULVJTRGUQK-KSSFIOAISA-N 2 0 371.447 3.262 20 0 FGADRP COCc1ccccc1/C=C(\C)C[N@@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000552060587 505385682 /nfs/dbraw/zinc/38/56/82/505385682.db2.gz PJRDKGMTGHSBRM-FIWMFUAISA-N 2 0 371.569 3.337 20 0 FGADRP C[NH+]1CCC(Oc2ccc(C[NH2+][C@@H]3CC[N@H+](C)[C@@H]4CCC[C@H]43)cc2)CC1 ZINC000552063799 505387273 /nfs/dbraw/zinc/38/72/73/505387273.db2.gz NLCBBKSWHOJVLC-BHDDXSALSA-N 3 0 357.542 3.122 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)[C@@]2(c3ccccc3)CC[NH2+]C2)C1 ZINC000567584928 505506063 /nfs/dbraw/zinc/50/60/63/505506063.db2.gz GERIIBXGBJUOIF-QTEQDKRBSA-N 2 0 369.553 3.031 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)[C@]2(c3ccccc3)CC[NH2+]C2)C1 ZINC000567584931 505506256 /nfs/dbraw/zinc/50/62/56/505506256.db2.gz GERIIBXGBJUOIF-ZRCGQRJVSA-N 2 0 369.553 3.031 20 0 FGADRP COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000567652905 505525171 /nfs/dbraw/zinc/52/51/71/505525171.db2.gz LRUTXQBRDLWWEZ-TTZDDIAXSA-N 2 0 365.905 3.043 20 0 FGADRP NC1(C[NH2+][C@@H]2CCC[C@H]([C@H]3CCOC3)C2)CC[NH+](Cc2ccccc2)CC1 ZINC000567652926 505525447 /nfs/dbraw/zinc/52/54/47/505525447.db2.gz SZEWZTWMOKAMCL-FDFHNCONSA-N 2 0 371.569 3.165 20 0 FGADRP CCC[N@H+](CC)C[C@@H](C)NC(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C[C@@H]1C ZINC000562241061 505549237 /nfs/dbraw/zinc/54/92/37/505549237.db2.gz CZAZMNLXPKUFPG-QKNQBKEWSA-N 2 0 374.573 3.317 20 0 FGADRP C[C@H](c1cc2ccccc2o1)N(C)C(=O)C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000567889655 505570098 /nfs/dbraw/zinc/57/00/98/505570098.db2.gz HLSBJBNNJDUYOW-APWZRJJASA-N 2 0 369.509 3.274 20 0 FGADRP C[C@@H](CC(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1)[C@H]1CCC[NH2+]C1 ZINC000582727858 506386976 /nfs/dbraw/zinc/38/69/76/506386976.db2.gz QGMKSKJEPXXQIC-ICSRJNTNSA-N 2 0 372.557 3.172 20 0 FGADRP C[NH+]1CCN(c2ccc(C(F)(F)F)cc2C[NH2+]C2CCSCC2)CC1 ZINC000608060413 506402343 /nfs/dbraw/zinc/40/23/43/506402343.db2.gz CGWJWMQGQLQUFF-UHFFFAOYSA-N 2 0 373.488 3.442 20 0 FGADRP Cc1nc2ccccc2n1C[C@H]1CCC[N@@H+]1Cc1cc(=O)[nH]c(C2CC2)n1 ZINC000582890619 506474228 /nfs/dbraw/zinc/47/42/28/506474228.db2.gz NQGXWPFLQRDWBU-QGZVFWFLSA-N 2 0 363.465 3.382 20 0 FGADRP CC(C)[C@@H](CNC(=O)NCCC[NH+]1CCCCC1)[NH+]1CCCCCC1 ZINC000612186755 506477526 /nfs/dbraw/zinc/47/75/26/506477526.db2.gz MFRMTVOPPICMTD-LJQANCHMSA-N 2 0 352.567 3.062 20 0 FGADRP C[NH+](C)CC1CCN(C(=O)NCc2ccccc2C[NH+]2CCCCC2)CC1 ZINC000612218384 506486202 /nfs/dbraw/zinc/48/62/02/506486202.db2.gz FKQPUNPOKFZPFK-UHFFFAOYSA-N 2 0 372.557 3.156 20 0 FGADRP C[NH2+]Cc1ccccc1C[NH2+]Cc1ccc(OC)c2oc(C(=O)OC)cc21 ZINC000593318317 506535608 /nfs/dbraw/zinc/53/56/08/506535608.db2.gz NTVHCBGUMIOFRK-UHFFFAOYSA-N 2 0 368.433 3.237 20 0 FGADRP O=C(Nc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)cc1)c1cccnc1 ZINC000583018696 506544105 /nfs/dbraw/zinc/54/41/05/506544105.db2.gz CXAPLOFXSSFLNE-PCCBWWKXSA-N 2 0 364.493 3.344 20 0 FGADRP [NH3+][C@H](CCC(=O)Nc1cccc(C[NH+]2CCC(O)CC2)c1)c1ccccc1 ZINC000583027605 506549025 /nfs/dbraw/zinc/54/90/25/506549025.db2.gz VMCMXGNXQCYEOO-OAQYLSRUSA-N 2 0 367.493 3.062 20 0 FGADRP CCOc1ccc(CN2CCN(Cc3ncc(C)c(OC)c3C)CC2)cc1 ZINC000589705722 506635979 /nfs/dbraw/zinc/63/59/79/506635979.db2.gz CJGLUHUQOPTPPO-UHFFFAOYSA-N 2 0 369.509 3.424 20 0 FGADRP O=C(NCCC[NH+]1CCCCC1)N[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000604161908 506730284 /nfs/dbraw/zinc/73/02/84/506730284.db2.gz PCOMGGHTWOSEJH-NRFANRHFSA-N 2 0 372.557 3.389 20 0 FGADRP COC(=O)c1oc(CNC[C@@H]2CC[N@H+](CCc3ccccc3)C2)cc1C ZINC000597054883 506752807 /nfs/dbraw/zinc/75/28/07/506752807.db2.gz WJIPIXZOBCSEKL-SFHVURJKSA-N 2 0 356.466 3.029 20 0 FGADRP CCC(CC)(CNC(=O)N[C@H]1CC12CC[NH2+]CC2)[NH2+][C@@H](C)c1ccccc1 ZINC000612971390 506845364 /nfs/dbraw/zinc/84/53/64/506845364.db2.gz OKPVSWGKTKZWNW-HKUYNNGSSA-N 2 0 372.557 3.337 20 0 FGADRP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000604631949 506896156 /nfs/dbraw/zinc/89/61/56/506896156.db2.gz JQOVXGNYXADFKW-LJQANCHMSA-N 2 0 364.578 3.158 20 0 FGADRP OC[C@@H]([NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1)c1ccc(F)cc1 ZINC000604769918 506934768 /nfs/dbraw/zinc/93/47/68/506934768.db2.gz LWQZZYOALVVTDO-OAQYLSRUSA-N 2 0 358.457 3.124 20 0 FGADRP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)NCC[N@H+]2[C@H](C)CCC[C@@H]2C)C1 ZINC000594103884 506940713 /nfs/dbraw/zinc/94/07/13/506940713.db2.gz QHEHDHLGNCTNHF-WTGUMLROSA-N 2 0 366.594 3.307 20 0 FGADRP CC(C)[N@H+](C)CC1CC[NH+]([C@@H](C)C(=O)N2CCCc3ccccc32)CC1 ZINC000590786631 506955672 /nfs/dbraw/zinc/95/56/72/506955672.db2.gz JMSUIXBISSFAQM-SFHVURJKSA-N 2 0 357.542 3.407 20 0 FGADRP CC(C)[NH2+][C@@H]1CCCN(C(=O)NC2CC[NH+]([C@H](C)c3ccccc3)CC2)C1 ZINC000604822492 506956474 /nfs/dbraw/zinc/95/64/74/506956474.db2.gz KBHPIBMNAHMGKQ-WIYYLYMNSA-N 2 0 372.557 3.384 20 0 FGADRP Cn1nc(C[NH2+]Cc2ccc(OCCC[NH+](C)C)cc2)c2ccccc21 ZINC000590798684 506964196 /nfs/dbraw/zinc/96/41/96/506964196.db2.gz QPWYNOWOYQWHTK-UHFFFAOYSA-N 2 0 352.482 3.194 20 0 FGADRP COc1cc(C[NH2+][C@H](CN2CC[NH+](C)CC2)c2ccccc2)ccc1C ZINC000583792480 506976009 /nfs/dbraw/zinc/97/60/09/506976009.db2.gz LWEYJYHXZRBCAN-OAQYLSRUSA-N 2 0 353.510 3.082 20 0 FGADRP Oc1cccc(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)c1 ZINC000583885120 507030369 /nfs/dbraw/zinc/03/03/69/507030369.db2.gz AXAOOFWUQUHVPD-OAQYLSRUSA-N 2 0 366.505 3.411 20 0 FGADRP Cc1cccc(OCC[N@@H+](C)C[C@@H](O)Cn2cnc3cc(C)c(C)cc32)c1 ZINC000613341073 507039769 /nfs/dbraw/zinc/03/97/69/507039769.db2.gz SSPYESNODWEZQD-LJQANCHMSA-N 2 0 367.493 3.333 20 0 FGADRP C[NH+](C)[C@@H](CNC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1)c1ccsc1 ZINC000594288796 507065094 /nfs/dbraw/zinc/06/50/94/507065094.db2.gz UWGKJDBKHFMRFS-ROUUACIJSA-N 2 0 364.559 3.011 20 0 FGADRP C[C@H]([C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+](C)CCCNC(=O)C1CCC1 ZINC000583961967 507072636 /nfs/dbraw/zinc/07/26/36/507072636.db2.gz YSPQYWFNGGBDIB-WIYYLYMNSA-N 2 0 357.542 3.135 20 0 FGADRP CCCC[N@H+](C)CC1CC[NH+](CC(=O)N2c3ccccc3C[C@@H]2C)CC1 ZINC000613493217 507117329 /nfs/dbraw/zinc/11/73/29/507117329.db2.gz ZBTCVKONTXNTEI-SFHVURJKSA-N 2 0 357.542 3.408 20 0 FGADRP CC(C)[C@@H](C(=O)NC[C@H](C)[N@@H+]1CCc2ccccc2C1)[NH+]1CCCCC1 ZINC000591128291 507126072 /nfs/dbraw/zinc/12/60/72/507126072.db2.gz SDTCUMVTVLDZFZ-RXVVDRJESA-N 2 0 357.542 3.060 20 0 FGADRP C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)CCCn2ccnc2)C1 ZINC000591139460 507129456 /nfs/dbraw/zinc/12/94/56/507129456.db2.gz WVRVFSZSYYCRDH-OALUTQOASA-N 2 0 368.525 3.458 20 0 FGADRP CC(C)[C@H](C(=O)N[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1)[NH+]1CCCCC1 ZINC000591154644 507134900 /nfs/dbraw/zinc/13/49/00/507134900.db2.gz QPWIYKBCSWMTGB-HMXCVIKNSA-N 2 0 357.542 3.449 20 0 FGADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000600835576 507141116 /nfs/dbraw/zinc/14/11/16/507141116.db2.gz FUAIFKHEQCAAKB-OAQYLSRUSA-N 2 0 372.557 3.346 20 0 FGADRP C[C@H]([NH3+])[C@H]1CCCN(C(=O)NCC2([NH2+][C@@H](C)c3ccccc3)CCCC2)C1 ZINC000584162523 507186877 /nfs/dbraw/zinc/18/68/77/507186877.db2.gz XBOWZAICLXIIPF-BJLQDIEVSA-N 2 0 372.557 3.419 20 0 FGADRP CC[C@@H](C(=O)NC[C@@H](c1cccc(OC)c1)[NH+]1CCCC1)[NH+](CC)CC ZINC000605423529 507187733 /nfs/dbraw/zinc/18/77/33/507187733.db2.gz OOMQPVWLTOSNPQ-PMACEKPBSA-N 2 0 361.530 3.069 20 0 FGADRP COC(=O)c1ccc(Cl)c(C[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)c1 ZINC000594734520 507260086 /nfs/dbraw/zinc/26/00/86/507260086.db2.gz ABRZEDDOCODDCJ-INIZCTEOSA-N 2 0 350.890 3.338 20 0 FGADRP C[C@H](CNC(=O)NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1)[NH+](C)C1CC1 ZINC000591555148 507290330 /nfs/dbraw/zinc/29/03/30/507290330.db2.gz RXKOEZVGSRQKLQ-QZTJIDSGSA-N 2 0 372.557 3.200 20 0 FGADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)N2CCC[C@@H]2C[NH+]2CCCC2)C1 ZINC000591572872 507297520 /nfs/dbraw/zinc/29/75/20/507297520.db2.gz RCTRWABUPBKSKK-HLAWJBBLSA-N 2 0 370.541 3.092 20 0 FGADRP Cn1ccnc1[C@@H]1CC[N@H+](Cc2nc3ccc(Br)cc3o2)C1 ZINC000584358848 507300293 /nfs/dbraw/zinc/30/02/93/507300293.db2.gz IUIZDPOTGJHDMP-LLVKDONJSA-N 2 0 361.243 3.313 20 0 FGADRP COC(=O)c1cnc([C@H](C)NC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)s1 ZINC000601289858 507325242 /nfs/dbraw/zinc/32/52/42/507325242.db2.gz VAGMHKXSRUCJSU-VYDXJSESSA-N 2 0 373.522 3.348 20 0 FGADRP CC(C)(C)[C@@H]1NC(=O)CC[C@H]1[NH2+][C@H]1CCN(Cc2ccccc2)C2(CC2)C1 ZINC000584409179 507330523 /nfs/dbraw/zinc/33/05/23/507330523.db2.gz AZNBISYRSQVEJZ-QKNQBKEWSA-N 2 0 369.553 3.467 20 0 FGADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@H]2CCc3ccc(I)cc32)C1 ZINC000595016808 507355481 /nfs/dbraw/zinc/35/54/81/507355481.db2.gz XNOAJELIAMWIKK-LRDDRELGSA-N 2 0 370.278 3.210 20 0 FGADRP CC[N@@H+]1CC[C@@H]([NH2+]CCc2ccc(I)cc2)[C@H](C)C1 ZINC000595095625 507389982 /nfs/dbraw/zinc/38/99/82/507389982.db2.gz RTPXMXSJFHAOLX-CZUORRHYSA-N 2 0 372.294 3.154 20 0 FGADRP O=C1C[C@H]([NH2+][C@@H]2CCCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CN1C1CC1 ZINC000584670689 507440835 /nfs/dbraw/zinc/44/08/35/507440835.db2.gz LSZDVFLECWJYKW-XMGTWHOFSA-N 2 0 367.537 3.030 20 0 FGADRP CC[NH+](CC)Cc1ccc(CNC(=O)N[C@@H](C)C2CC[NH+](C)CC2)cc1 ZINC000606627222 507457462 /nfs/dbraw/zinc/45/74/62/507457462.db2.gz CDVAHHVOWPXFMO-KRWDZBQOSA-N 2 0 360.546 3.058 20 0 FGADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000606684340 507477345 /nfs/dbraw/zinc/47/73/45/507477345.db2.gz QVFXTFCSUJAHFQ-VQTJNVASSA-N 2 0 364.578 3.301 20 0 FGADRP CC[NH+]1CCC(CNC(=O)N2CCC(C[NH+]3CCCCCC3)CC2)CC1 ZINC000587014351 507703532 /nfs/dbraw/zinc/70/35/32/507703532.db2.gz GDERLAOKSUEABU-UHFFFAOYSA-N 2 0 364.578 3.016 20 0 FGADRP C[NH+](C)Cc1cccc(C(=O)N2CCC(C[NH+]3CCCCCC3)CC2)c1 ZINC000607384243 507715185 /nfs/dbraw/zinc/71/51/85/507715185.db2.gz LYMVKFJUCOFRER-UHFFFAOYSA-N 2 0 357.542 3.476 20 0 FGADRP Cc1ccc(N2CCC(Nc3ccnc(N4CCCCC4)n3)CC2)nc1 ZINC000498626833 514999824 /nfs/dbraw/zinc/99/98/24/514999824.db2.gz MSCGBWGYFJYSFZ-UHFFFAOYSA-N 2 0 352.486 3.251 20 0 FGADRP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000669125178 568086112 /nfs/dbraw/zinc/08/61/12/568086112.db2.gz XPKPPNZNZSNVFE-LQWHRVPQSA-N 2 0 372.557 3.330 20 0 FGADRP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)N2CCC(C)([NH+]3CCCC3)CC2)C1 ZINC000636954819 568225629 /nfs/dbraw/zinc/22/56/29/568225629.db2.gz VIGQMNOCUWGBLJ-IBGZPJMESA-N 2 0 364.578 3.014 20 0 FGADRP c1cc(C[N@H+]2CCC[C@@H](C[C@@H]3CCOC3)C2)ccc1CN1CCOCC1 ZINC000643251550 568333965 /nfs/dbraw/zinc/33/39/65/568333965.db2.gz OTVHXLJPXZPNIU-VXKWHMMOSA-N 2 0 358.526 3.157 20 0 FGADRP CCCC[NH+]1CCC([NH2+][C@@H]2CCCc3cc(-c4nn[nH]n4)ccc32)CC1 ZINC000825285238 608505418 /nfs/dbraw/zinc/50/54/18/608505418.db2.gz NNUULBDZNGKFDF-LJQANCHMSA-N 2 0 354.502 3.098 20 0 FGADRP C[C@@H]([NH2+]CCCC[N@@H+]1CCCC[C@H]1C)c1ccc(-c2nn[nH]n2)cc1F ZINC000824585282 609325900 /nfs/dbraw/zinc/32/59/00/609325900.db2.gz PCFFCELHBNCCSO-HUUCEWRRSA-N 2 0 360.481 3.311 20 0 FGADRP CC(C)CC[NH+]1CCC(C[NH2+][C@@H](C)c2ccc(-c3nn[nH]n3)cc2F)CC1 ZINC000824249178 609338271 /nfs/dbraw/zinc/33/82/71/609338271.db2.gz JMGWZBZFLLXDOY-HNNXBMFYSA-N 2 0 374.508 3.415 20 0 FGADRP C[NH+](C)C1(CNC(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)CCCC1 ZINC000078500583 700280636 /nfs/dbraw/zinc/28/06/36/700280636.db2.gz DPBIYLLUXJUUAX-MRXNPFEDSA-N 2 0 364.559 3.059 20 0 FGADRP C[C@H]([NH2+]C[C@@H](c1cccc(Cl)c1)N1CCOCC1)C1CC[NH+](C)CC1 ZINC000089549313 700391836 /nfs/dbraw/zinc/39/18/36/700391836.db2.gz FMAYELJPEJBLLW-JXFKEZNVSA-N 2 0 365.949 3.033 20 0 FGADRP CCC[NH+]1CCC([N@H+](C)C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000109786175 700537082 /nfs/dbraw/zinc/53/70/82/700537082.db2.gz GTVDCRHDLBNROH-KRWDZBQOSA-N 2 0 353.551 3.440 20 0 FGADRP C[N@@H+]1CCCN(CCC[NH2+]Cc2ccc(Cl)cc2Br)CC1 ZINC000127076256 700756865 /nfs/dbraw/zinc/75/68/65/700756865.db2.gz NTVSHDPUCOWDCY-UHFFFAOYSA-N 2 0 374.754 3.220 20 0 FGADRP FC(F)SCc1ccc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)o1 ZINC000134122155 704812892 /nfs/dbraw/zinc/81/28/92/704812892.db2.gz HZUURQLPYQANHC-UHFFFAOYSA-N 2 0 360.470 3.280 20 0 FGADRP COc1cc(C[NH2+][C@H](C)C2CC[NH+](C)CC2)ccc1OCC(F)(F)F ZINC000151015481 704909041 /nfs/dbraw/zinc/90/90/41/704909041.db2.gz XNVOISJTEPGJBK-CYBMUJFWSA-N 2 0 360.420 3.456 20 0 FGADRP COc1ccc(NC(=[NH2+])NC[C@H]2CCC[N@H+](CC(C)C)C2)cc1Cl ZINC000157393472 705153197 /nfs/dbraw/zinc/15/31/97/705153197.db2.gz SLACLRMVAZRIET-CQSZACIVSA-N 2 0 352.910 3.443 20 0 FGADRP C[C@@H](CC(=O)Nc1cccnc1Cl)[NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000159592605 705228169 /nfs/dbraw/zinc/22/81/69/705228169.db2.gz OZCDMCLBGLOULH-LBPRGKRZSA-N 2 0 352.910 3.351 20 0 FGADRP C[C@@H]([NH2+][C@@H]1CCN(c2ccccc2Br)C1)C1CC[NH+](C)CC1 ZINC000162483604 705297149 /nfs/dbraw/zinc/29/71/49/705297149.db2.gz DFFAOUARECYXQD-GDBMZVCRSA-N 2 0 366.347 3.348 20 0 FGADRP CCCC[N@H+](C)CC1CCN(C(=O)[C@H]([NH3+])c2cccc(Cl)c2)CC1 ZINC000165056486 705336618 /nfs/dbraw/zinc/33/66/18/705336618.db2.gz DCCDAKMXKAPSGO-GOSISDBHSA-N 2 0 351.922 3.310 20 0 FGADRP C[C@H]1CCCN(C(C)(C)C[NH2+]C2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000177243708 705614140 /nfs/dbraw/zinc/61/41/40/705614140.db2.gz JICCVUXBXPYZJS-INIZCTEOSA-N 2 0 353.551 3.486 20 0 FGADRP CCC[NH+]1CCC(C[NH2+][C@H]2CCC[C@H]2CNC(=O)OC(C)(C)C)CC1 ZINC000180448411 705740334 /nfs/dbraw/zinc/74/03/34/705740334.db2.gz VVBRRGXCOHADOA-ROUUACIJSA-N 2 0 353.551 3.391 20 0 FGADRP C[C@H]([NH2+]CCC1CC[NH+](C)CC1)[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000182634019 705853983 /nfs/dbraw/zinc/85/39/83/705853983.db2.gz NXFYVOSCOJCGPE-FUHWJXTLSA-N 2 0 353.551 3.486 20 0 FGADRP COc1ccc([C@H](C)[NH2+][C@H](C)[C@@H](CO)SC)cc1C[NH+]1CCCCC1 ZINC000183003528 705873480 /nfs/dbraw/zinc/87/34/80/705873480.db2.gz ILEQNMMQBNETII-RZQQEMMASA-N 2 0 366.571 3.444 20 0 FGADRP O[C@@H](COCc1ccccc1Cl)C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000193080796 712881765 /nfs/dbraw/zinc/88/17/65/712881765.db2.gz AQWHYEVNBHIQCW-LJQANCHMSA-N 2 0 366.933 3.025 20 0 FGADRP C[C@H](C[NH2+]C[C@]1(C)CCN(C(=O)OC(C)(C)C)C1)C[NH+]1CCCCC1 ZINC000195191818 713548378 /nfs/dbraw/zinc/54/83/78/713548378.db2.gz VSANCCDWPKZAOJ-XLIONFOSSA-N 2 0 353.551 3.345 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)CC(C)(C)[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000236874476 713585117 /nfs/dbraw/zinc/58/51/17/713585117.db2.gz FJGLRAVAOITBET-OAHLLOKOSA-N 2 0 359.436 3.332 20 0 FGADRP COc1ccc(C[NH2+]CCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c(Cl)c1OC ZINC000237346599 713590588 /nfs/dbraw/zinc/59/05/88/713590588.db2.gz JOYSGBFZEZECNT-GASCZTMLSA-N 2 0 370.921 3.336 20 0 FGADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCC[C@H]2CNC(=O)OC(C)(C)C)C1 ZINC000245921335 713614086 /nfs/dbraw/zinc/61/40/86/713614086.db2.gz HBCSVIQYIQSOFI-FGTMMUONSA-N 2 0 353.551 3.390 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@H](O)c2ccccc2Cl)[C@@H](C)C1 ZINC000246321482 713621629 /nfs/dbraw/zinc/62/16/29/713621629.db2.gz FILMHHAJJCRGSP-SNRMKQJTSA-N 2 0 354.922 3.100 20 0 FGADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@]2(C)CCN(C(=O)OC(C)(C)C)C2)[C@H](C)C1 ZINC000248666248 713655868 /nfs/dbraw/zinc/65/58/68/713655868.db2.gz NMTRZMZFERQSSN-FUHIMQAGSA-N 2 0 353.551 3.296 20 0 FGADRP C[C@@H](C(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1)[C@@H]([NH3+])c1ccccc1 ZINC000263021618 713734023 /nfs/dbraw/zinc/73/40/23/713734023.db2.gz SQLKIKFYMXDBNT-BDJLRTHQSA-N 2 0 351.372 3.439 20 0 FGADRP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000322839820 713813511 /nfs/dbraw/zinc/81/35/11/713813511.db2.gz JMJXLCPMUTYTBE-XWDNEUNKSA-N 2 0 351.535 3.379 20 0 FGADRP CC1CCC(O)(C[NH+]2CCC3(C[C@H]3N(C)Cc3nccs3)CC2)CC1 ZINC000374846960 713947886 /nfs/dbraw/zinc/94/78/86/713947886.db2.gz SPVXTMSGYBJGPT-OHTSDLOESA-N 2 0 363.571 3.371 20 0 FGADRP C[C@@H]([NH2+]Cc1cc(Br)c2c(c1)OCCO2)C1CC[NH+](C)CC1 ZINC000396423750 713991398 /nfs/dbraw/zinc/99/13/98/713991398.db2.gz BIKDNBJTLRAOIT-GFCCVEGCSA-N 2 0 369.303 3.040 20 0 FGADRP C[C@@H]([NH2+]C[C@H](O)COc1cc(Cl)ccc1Cl)C1CC[NH+](C)CC1 ZINC000396455814 713991429 /nfs/dbraw/zinc/99/14/29/713991429.db2.gz MQKYLGJTQARGAT-DOMZBBRYSA-N 2 0 361.313 3.053 20 0 FGADRP Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000414911239 714005509 /nfs/dbraw/zinc/00/55/09/714005509.db2.gz DPYQIJDTDBARLL-HZPDHXFCSA-N 2 0 363.303 3.303 20 0 FGADRP C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000414933979 714005892 /nfs/dbraw/zinc/00/58/92/714005892.db2.gz XMARLJIKLVFMDC-YRGRVCCFSA-N 2 0 359.392 3.162 20 0 FGADRP CCOc1cc(C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)cc(Br)c1OC ZINC000414928561 714005968 /nfs/dbraw/zinc/00/59/68/714005968.db2.gz QFZOUBHHKGCUEG-OLZOCXBDSA-N 2 0 357.292 3.216 20 0 FGADRP C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH3+])C1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000423363790 714013976 /nfs/dbraw/zinc/01/39/76/714013976.db2.gz AKVWDXOGNQOBIP-USXIJHARSA-N 2 0 350.528 3.323 20 0 FGADRP CC(C)[N@H+](C)CCNC(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000523600042 714243107 /nfs/dbraw/zinc/24/31/07/714243107.db2.gz CZQSKYZDEAYECG-GOSISDBHSA-N 2 0 366.937 3.116 20 0 FGADRP Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC000524970282 714313364 /nfs/dbraw/zinc/31/33/64/714313364.db2.gz YAKOZNBXUVQVFS-HOTGVXAUSA-N 2 0 361.555 3.355 20 0 FGADRP [NH3+]CC1CCC([NH2+]CCNc2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000577739703 714468763 /nfs/dbraw/zinc/46/87/63/714468763.db2.gz BFOQGWGLKAVDJP-UHFFFAOYSA-N 2 0 350.816 3.273 20 0 FGADRP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2CCn1ccc2cc(Cl)ccc21 ZINC000577920113 714470962 /nfs/dbraw/zinc/47/09/62/714470962.db2.gz BMMLTEHRQNYOJX-HOJAQTOUSA-N 2 0 361.917 3.478 20 0 FGADRP C[C@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000579931720 714500705 /nfs/dbraw/zinc/50/07/05/714500705.db2.gz MTGCQZGSWIQRSP-MGPQQGTHSA-N 2 0 357.420 3.400 20 0 FGADRP Brc1ccc2c(c1)[C@H]([NH2+][C@H]1CC13CC[NH2+]CC3)CCCO2 ZINC000643535401 718038262 /nfs/dbraw/zinc/03/82/62/718038262.db2.gz LPPOWNYBQRDDIU-ZBFHGGJFSA-N 2 0 351.288 3.395 20 0 FGADRP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCN(Cc3c(F)cccc3F)C2)CC1(C)C ZINC000623413360 715330679 /nfs/dbraw/zinc/33/06/79/715330679.db2.gz SFXWGRZXWQMENH-JKSUJKDBSA-N 2 0 351.485 3.392 20 0 FGADRP C[C@H]1C[NH+](CCCC[NH2+]Cc2ccc(F)c(F)c2N(C)C)C[C@H](C)O1 ZINC000623425051 715333775 /nfs/dbraw/zinc/33/37/75/715333775.db2.gz OZMDCNLCNIXAEP-GJZGRUSLSA-N 2 0 355.473 3.010 20 0 FGADRP C[N@@H+]1CC[C@@H]([NH2+]C[C@@H]2CN(c3ccc(Cl)cc3)CCO2)CC1(C)C ZINC000623655316 715380126 /nfs/dbraw/zinc/38/01/26/715380126.db2.gz URZDXWUZEUJCCB-SJLPKXTDSA-N 2 0 351.922 3.008 20 0 FGADRP CC(C)[NH+]1CCC([NH2+]C[C@@H]2CN(c3ccc(Cl)cc3)CCO2)CC1 ZINC000624118783 715476646 /nfs/dbraw/zinc/47/66/46/715476646.db2.gz OCTVSHGKDXJTTF-LJQANCHMSA-N 2 0 351.922 3.008 20 0 FGADRP C[C@@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]C[C@@H]1CCCC[N@H+](C)C1 ZINC000624121307 715477725 /nfs/dbraw/zinc/47/77/25/715477725.db2.gz SVZKIDAQZAXBIK-WMZOPIPTSA-N 2 0 365.949 3.399 20 0 FGADRP CN(CC[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21)CC(F)F ZINC000624326736 715512452 /nfs/dbraw/zinc/51/24/52/715512452.db2.gz SSHLHTLAEQXLSN-GUDVDZBRSA-N 2 0 351.485 3.074 20 0 FGADRP CC[N@H+](C)C[C@@H]1CC[NH+](CC[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000779477314 724416133 /nfs/dbraw/zinc/41/61/33/724416133.db2.gz AREXPXWVGPWAAJ-ROUUACIJSA-N 2 0 353.551 3.297 20 0 FGADRP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)[C@H](C)C(=O)NCc1cccs1 ZINC000626062623 715841248 /nfs/dbraw/zinc/84/12/48/715841248.db2.gz ZIEVSAOSJQYEJK-MRXNPFEDSA-N 2 0 359.539 3.337 20 0 FGADRP C[NH+](C)C[C@@H](NC(=O)NC[C@H]1CCCC[NH2+]1)c1ccc(Cl)c(Cl)c1 ZINC000627066318 715991579 /nfs/dbraw/zinc/99/15/79/715991579.db2.gz RULDIDILCSKTRA-CZUORRHYSA-N 2 0 373.328 3.037 20 0 FGADRP CC(C)Sc1cc(Br)ccc1C[NH2+]CCOCCC[NH3+] ZINC000629399963 716282254 /nfs/dbraw/zinc/28/22/54/716282254.db2.gz NGUNELJRCWMUET-UHFFFAOYSA-N 2 0 361.349 3.405 20 0 FGADRP [NH3+]C[C@H]1C[N@H+](CCC(=O)Nc2cccc(Cl)c2)CC[C@@H]1C(F)(F)F ZINC000629565061 716309123 /nfs/dbraw/zinc/30/91/23/716309123.db2.gz USKHWLWCXLNGCL-FZMZJTMJSA-N 2 0 363.811 3.128 20 0 FGADRP C[NH+]1CCC(N2CC[C@H]([NH2+]Cc3ccc(CC(F)(F)F)cc3)C2)CC1 ZINC000631070130 716558829 /nfs/dbraw/zinc/55/88/29/716558829.db2.gz NWCTYEHGQQAVLQ-KRWDZBQOSA-N 2 0 355.448 3.050 20 0 FGADRP COCCc1ncc(C[NH2+]C2CCC([NH+]3CCC(C)CC3)CC2)s1 ZINC000631100342 716565440 /nfs/dbraw/zinc/56/54/40/716565440.db2.gz SOJYJRFFYAWDFG-UHFFFAOYSA-N 2 0 351.560 3.465 20 0 FGADRP O=S1(=O)CCC[C@H]([NH2+]Cc2ccc(C[NH+]3CCCCCC3)cc2)CC1 ZINC000634957283 717135580 /nfs/dbraw/zinc/13/55/80/717135580.db2.gz HTXPKPCILSRLHY-FQEVSTJZSA-N 2 0 364.555 3.120 20 0 FGADRP C[C@H]([NH2+]C1CC[NH+](CC(C)(C)O)CC1)c1ccc(OC(F)(F)F)cc1 ZINC000638333014 717435982 /nfs/dbraw/zinc/43/59/82/717435982.db2.gz UCXULOQWDQGWTJ-ZDUSSCGKSA-N 2 0 360.420 3.471 20 0 FGADRP C[C@H](Cc1cccc(Br)c1)[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000638416914 717446163 /nfs/dbraw/zinc/44/61/63/717446163.db2.gz BBEXZTPKRSIPEA-CQSZACIVSA-N 2 0 369.347 3.205 20 0 FGADRP [NH3+]C[C@@H]1CN(C(=O)CC[C@@H]([NH3+])CC2CCCCC2)CC[C@H]1C(F)(F)F ZINC000638558713 717464941 /nfs/dbraw/zinc/46/49/41/717464941.db2.gz RCZXBWLOXRBULV-BZUAXINKSA-N 2 0 363.468 3.050 20 0 FGADRP O=C(CC[N@@H+]1CCCN(c2cc[nH+]cc2)CC1)Nc1ccccc1Cl ZINC000639682080 717589864 /nfs/dbraw/zinc/58/98/64/717589864.db2.gz JYUIOSKOGXQCPF-UHFFFAOYSA-N 2 0 358.873 3.276 20 0 FGADRP C[C@@H]1CCC[N@H+](CCCC[NH2+]C[C@H](O)COc2ccc(Cl)cc2)C1 ZINC000644521984 718117763 /nfs/dbraw/zinc/11/77/63/718117763.db2.gz MSIQOWWNUWTWOB-AEFFLSMTSA-N 2 0 354.922 3.181 20 0 FGADRP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]CCC(=O)Nc2cccc(Br)c2)C1 ZINC000644583761 718128550 /nfs/dbraw/zinc/12/85/50/718128550.db2.gz AOMLZLKFMSFORV-GDBMZVCRSA-N 2 0 368.319 3.240 20 0 FGADRP C[C@@H]1CC[C@@H](O)C[N@@H+]1Cc1cc(Cl)cc(C[NH+]2C[C@@H](O)CC[C@@H]2C)c1 ZINC000646145016 718266586 /nfs/dbraw/zinc/26/65/86/718266586.db2.gz KQSSXIZJRIBHFU-LOHFZDIYSA-N 2 0 366.933 3.030 20 0 FGADRP COc1ccc(Br)cc1C1([NH2+]C[C@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000647552689 718367485 /nfs/dbraw/zinc/36/74/85/718367485.db2.gz QWIDERSOMPWLGP-OLZOCXBDSA-N 2 0 353.304 3.425 20 0 FGADRP Brc1ccccc1N1CC[C@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000647784191 718377679 /nfs/dbraw/zinc/37/76/79/718377679.db2.gz LUPBWTOFGMXNSB-JONQDZQNSA-N 2 0 364.331 3.006 20 0 FGADRP C[C@H](Cc1cc(Br)ccc1F)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000647794173 718377941 /nfs/dbraw/zinc/37/79/41/718377941.db2.gz SLOMZAUXWJDOCZ-ZNEHSRBWSA-N 2 0 355.295 3.497 20 0 FGADRP CN1CC[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000647793839 718377959 /nfs/dbraw/zinc/37/79/59/718377959.db2.gz JPTSKNCSYUPOOC-FJWRHQQOSA-N 2 0 351.897 3.202 20 0 FGADRP Brc1cncc([C@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)C2CC2)c1 ZINC000647797060 718378166 /nfs/dbraw/zinc/37/81/66/718378166.db2.gz WQEVKUCERQKODH-WRFANHODSA-N 2 0 350.304 3.273 20 0 FGADRP Brc1cccc2c1OCC[C@@H]2[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000647796733 718378241 /nfs/dbraw/zinc/37/82/41/718378241.db2.gz LMDKYBIQEXZDKR-VLXAULBPSA-N 2 0 351.288 3.250 20 0 FGADRP C[NH2+]CCC1CC[NH+]([C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)CC1 ZINC000647906232 718385897 /nfs/dbraw/zinc/38/58/97/718385897.db2.gz TXCHANJSJRLOTE-QGZVFWFLSA-N 2 0 370.324 3.420 20 0 FGADRP C[C@H](c1ccc(Cl)cc1)N(C)C(=O)C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000647970657 718390634 /nfs/dbraw/zinc/39/06/34/718390634.db2.gz TURMPAIITSQCQK-CRAIPNDOSA-N 2 0 363.933 3.181 20 0 FGADRP C[C@H](c1ccc(Cl)cc1)N(C)C(=O)C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000647970659 718390750 /nfs/dbraw/zinc/39/07/50/718390750.db2.gz TURMPAIITSQCQK-QAPCUYQASA-N 2 0 363.933 3.181 20 0 FGADRP C[C@H](NC(=O)C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1)c1ccc(Cl)cc1 ZINC000647976827 718391428 /nfs/dbraw/zinc/39/14/28/718391428.db2.gz URYGHSUBBTVDCM-CGTJXYLNSA-N 2 0 363.933 3.229 20 0 FGADRP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](CCCc2ccc(C(F)(F)F)cc2)CC1 ZINC000647983558 718392206 /nfs/dbraw/zinc/39/22/06/718392206.db2.gz QHEXZUHNIGNDKE-MSOLQXFVSA-N 2 0 356.432 3.466 20 0 FGADRP C[NH+]1CCN(c2cc[nH+]cc2NCc2cc3cc(Cl)cnc3o2)CC1 ZINC000648489808 718431859 /nfs/dbraw/zinc/43/18/59/718431859.db2.gz SUCCFOPGWAESPC-UHFFFAOYSA-N 2 0 357.845 3.240 20 0 FGADRP C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)[C@@H]([NH3+])c2cccc(Cl)c2)C1 ZINC000649342907 718505544 /nfs/dbraw/zinc/50/55/44/718505544.db2.gz WVNUZGYUDYIYEJ-OALUTQOASA-N 2 0 357.885 3.073 20 0 FGADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2Cc2ccc(OC(F)F)c(F)c2)C1 ZINC000650722814 718720756 /nfs/dbraw/zinc/72/07/56/718720756.db2.gz BTPRSTYSBYDQJM-KMFMINBZSA-N 2 0 358.404 3.288 20 0 FGADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@@H+]2Cc2cnc(-c3ccncc3)s2)C1 ZINC000650723389 718720839 /nfs/dbraw/zinc/72/08/39/718720839.db2.gz NFNCZGRVGRYQNC-KBAYOESNSA-N 2 0 358.511 3.066 20 0 FGADRP C[NH2+]Cc1ccccc1C[NH2+][C@@H](C)c1ccc(-n2cncn2)cc1Cl ZINC000650758753 718724610 /nfs/dbraw/zinc/72/46/10/718724610.db2.gz XBDZGZXHMZJGEE-AWEZNQCLSA-N 2 0 355.873 3.491 20 0 FGADRP CC[N@H+](CCCNC(=O)NC1CCC([NH+](C)C)CC1)C1CCCCC1 ZINC000651164126 718775827 /nfs/dbraw/zinc/77/58/27/718775827.db2.gz JWGWSAJPKWWPED-UHFFFAOYSA-N 2 0 352.567 3.203 20 0 FGADRP Cc1ccc(C[N@H+]2CC[C@H](CN(C)C(=O)CC3CC[NH+](C)CC3)C2)s1 ZINC000652031103 718901895 /nfs/dbraw/zinc/90/18/95/718901895.db2.gz MCHOYUAUPRTDID-GOSISDBHSA-N 2 0 363.571 3.069 20 0 FGADRP CC[N@H+](CCCN[C@@H](C)c1ccc(S(N)(=O)=O)cc1)C1CCCCC1 ZINC000652237922 718925752 /nfs/dbraw/zinc/92/57/52/718925752.db2.gz LMGFNVWUBVEJFS-INIZCTEOSA-N 2 0 367.559 3.029 20 0 FGADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@H+](CCCOc3ccc(Cl)cc3)C2)C1 ZINC000652347017 718934854 /nfs/dbraw/zinc/93/48/54/718934854.db2.gz OEPSJTZWPOYKSQ-WDYCEAGBSA-N 2 0 352.906 3.327 20 0 FGADRP Cc1ccc(-c2nc(C[N@@H+]3CCC[C@H]([C@H]4C[C@H]([NH3+])CCO4)C3)cs2)o1 ZINC000652348479 718935420 /nfs/dbraw/zinc/93/54/20/718935420.db2.gz FKUFBPDHEAUPJY-HDMKZQKVSA-N 2 0 361.511 3.430 20 0 FGADRP O=C(Nc1ccc(SCC[NH+]2CCCC2)cc1)[C@@H]1C[NH2+]CCC1(F)F ZINC000653253009 719030756 /nfs/dbraw/zinc/03/07/56/719030756.db2.gz CJJQQRBBJZNETD-INIZCTEOSA-N 2 0 369.481 3.058 20 0 FGADRP CC[NH+](CC)[C@@H](CNC1CC[NH+](C[C@H]2CCCO2)CC1)c1ccsc1 ZINC000655688707 719325820 /nfs/dbraw/zinc/32/58/20/719325820.db2.gz BNDXBZCGZMNMMR-UXHICEINSA-N 2 0 365.587 3.364 20 0 FGADRP CC[C@H]1CCC[N@@H+](C(C)(C)CNC2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000655711817 719328587 /nfs/dbraw/zinc/32/85/87/719328587.db2.gz NFASYTMRWUHJMC-AZUAARDMSA-N 2 0 351.579 3.120 20 0 FGADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2cn(-c3ccc(Cl)cc3Cl)nn2)C1 ZINC000655827668 719345106 /nfs/dbraw/zinc/34/51/06/719345106.db2.gz XKGQBHNNBQQXOV-VDISTLRHSA-N 2 0 354.285 3.004 20 0 FGADRP C[C@@H]([NH2+][C@@H](C)CN(C)CCC[NH+](C)C)c1ccc(Br)s1 ZINC000657574043 719677106 /nfs/dbraw/zinc/67/71/06/719677106.db2.gz XGAJMPXFKQHFQZ-QWHCGFSZSA-N 2 0 362.381 3.433 20 0 FGADRP C[C@H]([NH2+]CCCN1CC[NH+](Cc2ccccc2)CC1)C(C)(C)C(F)F ZINC000657836259 719719749 /nfs/dbraw/zinc/71/97/49/719719749.db2.gz UCJZWGGMJWSDGW-KRWDZBQOSA-N 2 0 353.501 3.464 20 0 FGADRP O[C@H]1CC[N@H+](Cc2ccc(C[NH2+][C@@H]3Cc4ccc(Cl)cc4C3)cc2)C1 ZINC000658135789 719761500 /nfs/dbraw/zinc/76/15/00/719761500.db2.gz AUMZIFJSRQRKQS-RTWAWAEBSA-N 2 0 356.897 3.164 20 0 FGADRP CCc1nc(C)c([C@@H](C)[NH2+]Cc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)s1 ZINC000658137549 719762149 /nfs/dbraw/zinc/76/21/49/719762149.db2.gz HJKQZSIHDOJUKT-RDTXWAMCSA-N 2 0 359.539 3.431 20 0 FGADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]CC(C)(C)[C@]3(O)CCCOC3)CC2)C1 ZINC000658313068 719784256 /nfs/dbraw/zinc/78/42/56/719784256.db2.gz WQUBIBSOKSUIRG-LMNJBCLMSA-N 2 0 352.563 3.187 20 0 FGADRP CC[C@H](CC(F)F)C[NH+]1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000659943734 719961394 /nfs/dbraw/zinc/96/13/94/719961394.db2.gz XNMBRSHBJVNSLY-OAHLLOKOSA-N 2 0 361.521 3.084 20 0 FGADRP CC(C)[NH+]1CCN(CCC[NH2+][C@@H]2C[C@H](OC(C)(C)C)C23CCC3)CC1 ZINC000661841419 720329776 /nfs/dbraw/zinc/32/97/76/720329776.db2.gz PLXMEEMWHKEBTB-MOPGFXCFSA-N 2 0 351.579 3.118 20 0 FGADRP CC[C@H]([NH2+]C[C@H]1CCC2(C[NH2+]C2)O1)c1cc(F)cc(Br)c1 ZINC000662280845 720408992 /nfs/dbraw/zinc/40/89/92/720408992.db2.gz GIXYAWQMWCUGBC-CABCVRRESA-N 2 0 357.267 3.150 20 0 FGADRP Fc1ccc(CCC2CC[NH+](C[C@H]3CCC4(C[NH2+]C4)O3)CC2)c(F)c1 ZINC000662283667 720410000 /nfs/dbraw/zinc/41/00/00/720410000.db2.gz ITVILELGGNHBFD-GOSISDBHSA-N 2 0 350.453 3.130 20 0 FGADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@H+](CCSc3ccc(F)cc3F)C2)C1 ZINC000662285551 720410093 /nfs/dbraw/zinc/41/00/93/720410093.db2.gz LJFCFGSSKFOZRK-YSVLISHTSA-N 2 0 356.482 3.275 20 0 FGADRP C[C@@H](NC(=O)C[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1)c1ccccc1Cl ZINC000662290342 720410618 /nfs/dbraw/zinc/41/06/18/720410618.db2.gz CMDLXNNWXVAWKF-WBVHZDCISA-N 2 0 363.933 3.229 20 0 FGADRP C[C@H](CCNC(=O)c1cc2c(s1)CC[NH2+]C2)[N@H+](C)Cc1ccccc1 ZINC000662485197 720433413 /nfs/dbraw/zinc/43/34/13/720433413.db2.gz DPXREKHJGVSONQ-OAHLLOKOSA-N 2 0 357.523 3.034 20 0 FGADRP C[NH+](C)C[C@@H](NC(=O)C[C@H]1[NH2+]Cc2ccccc21)c1ccc(Cl)cc1 ZINC000662532313 720438899 /nfs/dbraw/zinc/43/88/99/720438899.db2.gz PUJZPQLQJRJCGR-RTBURBONSA-N 2 0 357.885 3.294 20 0 FGADRP O[C@@H](C[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2)CC(F)(F)F ZINC000663368283 720506532 /nfs/dbraw/zinc/50/65/32/720506532.db2.gz CSEXLWSAMMVCAO-IAGOWNOFSA-N 2 0 356.432 3.192 20 0 FGADRP CC(C)[N@H+]1[C@@H]2CCN(c3cc4[nH]ccc4c[nH+]3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164834896 720515817 /nfs/dbraw/zinc/51/58/17/720515817.db2.gz HXCMWUJKWLKKBC-CMKODMSKSA-N 2 0 364.497 3.137 20 0 FGADRP C[NH2+]CCCC(=O)N1CCC([NH2+][C@@H](C)c2cc3c(s2)CCCC3)CC1 ZINC000665287186 720750152 /nfs/dbraw/zinc/75/01/52/720750152.db2.gz DUKWFKITJWQYBS-HNNXBMFYSA-N 2 0 363.571 3.268 20 0 FGADRP Cc1ccsc1[C@@H](Cc1ccccc1)[NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1 ZINC000665291907 720750976 /nfs/dbraw/zinc/75/09/76/720750976.db2.gz NTLSTWCSNUPPPI-MRXNPFEDSA-N 2 0 354.479 3.084 20 0 FGADRP C[NH+](C)C[C@H](NC(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C)c1ccc(Cl)cc1 ZINC000665357535 720759159 /nfs/dbraw/zinc/75/91/59/720759159.db2.gz OZOMCEFURXGWGQ-IRXDYDNUSA-N 2 0 366.937 3.115 20 0 FGADRP Cc1cc(C[NH2+][C@@H]2CCN(C3CC[NH+](C)CC3)C2)ccc1C(F)(F)F ZINC000666272209 720910985 /nfs/dbraw/zinc/91/09/85/720910985.db2.gz WYBWISOVDFGSEJ-MRXNPFEDSA-N 2 0 355.448 3.272 20 0 FGADRP CC(C)[N@H+](C)Cc1cnc2n1CCN(c1[nH+]ccc3c1ccn3C)[C@H]2C ZINC001164856154 720941957 /nfs/dbraw/zinc/94/19/57/720941957.db2.gz BSVWQLPGMNPKDA-HNNXBMFYSA-N 2 0 352.486 3.191 20 0 FGADRP Fc1cccc(O[C@@H]2C[C@H]3CN(c4cc5[nH]ccc5c[nH+]4)CC[N@@H+]3C2)c1 ZINC001164898112 721516569 /nfs/dbraw/zinc/51/65/69/721516569.db2.gz HTXNBLIDXJTBHV-FUHWJXTLSA-N 2 0 352.413 3.044 20 0 FGADRP C[NH+]1CCN(C(C)(C)C[NH2+][C@H]2CCSc3c(Cl)cccc32)CC1 ZINC000675741448 721771632 /nfs/dbraw/zinc/77/16/32/721771632.db2.gz FSPRHXIQTBFWMG-INIZCTEOSA-N 2 0 353.963 3.493 20 0 FGADRP COc1ccc([C@H](C)[NH2+][C@H]2CCN(C3CC[NH+](C)CC3)C2)cc1Cl ZINC000675876663 721777367 /nfs/dbraw/zinc/77/73/67/721777367.db2.gz YVYQCDWIDSSDCA-HOCLYGCPSA-N 2 0 351.922 3.168 20 0 FGADRP C[C@H]1C[C@@H]([NH2+][C@@H]2CCN(C3CC[NH+](C)CC3)C2)c2ccsc2S1 ZINC000675876618 721777456 /nfs/dbraw/zinc/77/74/56/721777456.db2.gz YDOBTTFGRVEUGA-JJRVBVJISA-N 2 0 351.585 3.432 20 0 FGADRP Cc1nc([C@H](C)[NH2+]CC2(N3CCCCC3)CC[NH+](C)CC2)c(C)s1 ZINC000676491455 721809479 /nfs/dbraw/zinc/80/94/79/721809479.db2.gz CINBWAZWQBSXAV-HNNXBMFYSA-N 2 0 350.576 3.361 20 0 FGADRP OC[C@H](C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)Cc1ccccc1C(F)(F)F ZINC000678600350 721966757 /nfs/dbraw/zinc/96/67/57/721966757.db2.gz MAKCRCIGWQHKJQ-USXIJHARSA-N 2 0 356.432 3.073 20 0 FGADRP CC(C)[C@@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccc(F)c(F)c1 ZINC000679771570 722047610 /nfs/dbraw/zinc/04/76/10/722047610.db2.gz SXHGWKYSIHHCPS-OXQOHEQNSA-N 2 0 351.485 3.420 20 0 FGADRP C[NH+](C)CCN(CC[NH+](C)C)Cc1cc(Br)c(Cl)s1 ZINC000685456998 722385622 /nfs/dbraw/zinc/38/56/22/722385622.db2.gz WVZBSRBBTGLCNU-UHFFFAOYSA-N 2 0 368.772 3.089 20 0 FGADRP C[N@@H+]1CCCC[C@H](C[NH2+]CCC2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000700809381 722409927 /nfs/dbraw/zinc/40/99/27/722409927.db2.gz OUVXFIXVIMKUKS-GOSISDBHSA-N 2 0 353.551 3.345 20 0 FGADRP C[C@@H]([NH2+]C1CCC([NH+](C)C)CC1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000715562869 722415883 /nfs/dbraw/zinc/41/58/83/722415883.db2.gz RUUQXKDFYLIVQI-FAEJEUNOSA-N 2 0 353.551 3.484 20 0 FGADRP C[C@@H]1C[C@@H]([NH2+]CC2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)CC[N@@H+]1C ZINC000720623446 722419392 /nfs/dbraw/zinc/41/93/92/722419392.db2.gz MBFLNOAIBGVGJB-KLUKMEKLSA-N 2 0 351.535 3.237 20 0 FGADRP CC[NH+](CC)Cc1cccc(CNC(=S)NCC(C)(C)C[NH+](C)C)c1 ZINC000727076479 722440992 /nfs/dbraw/zinc/44/09/92/722440992.db2.gz HDJHKIPUJSEDEI-UHFFFAOYSA-N 2 0 364.603 3.080 20 0 FGADRP Cc1cc(N[C@@H]2CC[N@H+](Cc3ccc(C(F)(F)F)cc3)C2)nc(N)[nH+]1 ZINC000733993333 722503163 /nfs/dbraw/zinc/50/31/63/722503163.db2.gz MEVLNNPDGGFMKF-CQSZACIVSA-N 2 0 351.376 3.072 20 0 FGADRP CC[NH+](CC)CC1CC[NH+](C[C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000741782574 722549088 /nfs/dbraw/zinc/54/90/88/722549088.db2.gz MCRJBMAMCAQCTH-GOSISDBHSA-N 2 0 353.551 3.297 20 0 FGADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)/C=C/c1ccc(Cl)cc1 ZINC000747229715 722637756 /nfs/dbraw/zinc/63/77/56/722637756.db2.gz WLYDKJSEHUHKMX-FMIVXFBMSA-N 2 0 351.922 3.085 20 0 FGADRP CC(C)[NH+]1CCC(NC(=O)NCCCCCCC[NH+]2CCCC2)CC1 ZINC000747947478 722668985 /nfs/dbraw/zinc/66/89/85/722668985.db2.gz DZSMQBHZEBRJIY-UHFFFAOYSA-N 2 0 352.567 3.205 20 0 FGADRP CN(CC1CC[NH+](C)CC1)C(=O)NCCCCCCC[NH+]1CCCC1 ZINC000747952985 722669124 /nfs/dbraw/zinc/66/91/24/722669124.db2.gz FMLLWUVOYIFYIE-UHFFFAOYSA-N 2 0 352.567 3.016 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=S)Nc1c(C)cccc1C ZINC000751008945 722790179 /nfs/dbraw/zinc/79/01/79/722790179.db2.gz AHHNOGDKEHPQJX-SFHVURJKSA-N 2 0 362.587 3.348 20 0 FGADRP CN(C[C@@H]1CCC[N@H+](CC[C@@H]2CCCC[NH+]2C)C1)C(=O)OC(C)(C)C ZINC000760832272 723096344 /nfs/dbraw/zinc/09/63/44/723096344.db2.gz WXLIGPPMHBPHRW-ROUUACIJSA-N 2 0 353.551 3.440 20 0 FGADRP CC(C)(C)OC(=O)NC(C)(C)C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000761201463 723132965 /nfs/dbraw/zinc/13/29/65/723132965.db2.gz AIFPRBPLHLKPMT-WBVHZDCISA-N 2 0 351.535 3.238 20 0 FGADRP CC(C)[C@](C)([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1ccc(Br)cc1 ZINC000792342118 723330678 /nfs/dbraw/zinc/33/06/78/723330678.db2.gz DXOYZKWFTBFYJZ-MSOLQXFVSA-N 2 0 369.347 3.367 20 0 FGADRP CCOC(=O)C(F)(F)[C@@H]1CCC[C@H]([NH2+]C2CC([NH+]3CCCCC3)C2)C1 ZINC000793338975 723426163 /nfs/dbraw/zinc/42/61/63/723426163.db2.gz ZNXFNERMPYHRMX-XNIRIUNOSA-N 2 0 358.473 3.350 20 0 FGADRP CC[N@@H+]1CCC[C@H](C[NH2+][C@H](C)C[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000772875165 723770379 /nfs/dbraw/zinc/77/03/79/723770379.db2.gz LGFRWSHOGQWTHW-KURKYZTESA-N 2 0 353.551 3.486 20 0 FGADRP C[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)Oc1ccc(Br)cc1 ZINC000774200062 723868370 /nfs/dbraw/zinc/86/83/70/723868370.db2.gz FGBNGBJGIWGQCP-WWTUQBGBSA-N 2 0 353.304 3.431 20 0 FGADRP C[NH+](C)CCOc1cccc(C[NH2+][C@@H]2CC[C@@H]3SCCS[C@@H]23)c1 ZINC000775379011 723986817 /nfs/dbraw/zinc/98/68/17/723986817.db2.gz PUOJAPOBURYTNX-SQNIBIBYSA-N 2 0 352.569 3.096 20 0 FGADRP C[C@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1[NH2+]CCC1CC[NH+](C)CC1 ZINC000788596657 725074611 /nfs/dbraw/zinc/07/46/11/725074611.db2.gz ZPCHKVMJDWMGNW-FUHWJXTLSA-N 2 0 353.551 3.344 20 0 FGADRP C[C@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1[NH2+]CCC1CC[NH+](C)CC1 ZINC000788596659 725074657 /nfs/dbraw/zinc/07/46/57/725074657.db2.gz ZPCHKVMJDWMGNW-WMZOPIPTSA-N 2 0 353.551 3.344 20 0 FGADRP C[NH+](C)Cc1cc(C[NH2+]C2CC(NC(=O)OC(C)(C)C)C2)ccc1F ZINC000809621011 725252910 /nfs/dbraw/zinc/25/29/10/725252910.db2.gz SUSVXTXOSNSTFO-UHFFFAOYSA-N 2 0 351.466 3.033 20 0 FGADRP CSC1(C[NH2+][C@H](C)c2ccc(Br)nc2)CC[NH+](C)CC1 ZINC000810252209 725300093 /nfs/dbraw/zinc/30/00/93/725300093.db2.gz LSBCCBJFEVULSP-GFCCVEGCSA-N 2 0 358.349 3.322 20 0 FGADRP CC[N@H+](C)C[C@@H]1CC[NH+](C[C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)C1 ZINC000813336123 726862743 /nfs/dbraw/zinc/86/27/43/726862743.db2.gz LRYSVGABQOHOQW-KURKYZTESA-N 2 0 353.551 3.296 20 0 FGADRP C[N@@H+]1CCC[C@@]2(CC[NH+](C[C@H]3CCCN(C(=O)OC(C)(C)C)C3)C2)C1 ZINC000815143189 727044136 /nfs/dbraw/zinc/04/41/36/727044136.db2.gz GJQILTJMRZLCSZ-YLJYHZDGSA-N 2 0 351.535 3.051 20 0 FGADRP C[C@@H]([NH2+]Cc1ccc(CC[NH3+])cc1)c1cc(Br)ncc1F ZINC000817949481 727289268 /nfs/dbraw/zinc/28/92/68/727289268.db2.gz RNCOIIOPJUIOHC-LLVKDONJSA-N 2 0 352.251 3.335 20 0 FGADRP CC[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000817987869 727290791 /nfs/dbraw/zinc/29/07/91/727290791.db2.gz ZAQQVZMAMBECEF-OBVSXPTNSA-N 2 0 351.535 3.142 20 0 FGADRP O[C@H](C[NH2+]CCCCC[NH+]1CCCC1)c1cccc(Br)c1 ZINC000819333243 727368189 /nfs/dbraw/zinc/36/81/89/727368189.db2.gz HLBHRYOYYKXZAM-QGZVFWFLSA-N 2 0 355.320 3.338 20 0 FGADRP C[C@H](C[NH2+]C[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1)C[NH+]1CCCC1 ZINC000823671423 729297758 /nfs/dbraw/zinc/29/77/58/729297758.db2.gz OFTAQWJXMFOEQR-KURKYZTESA-N 2 0 353.551 3.344 20 0 FGADRP C[C@@H]1C[C@H](C[NH2+][C@@H]2CCC[C@H]([NH+](C)C)C2)CCN1C(=O)OC(C)(C)C ZINC000823961932 729314248 /nfs/dbraw/zinc/31/42/48/729314248.db2.gz ZNTUCJZKLQSCST-TVFCKZIOSA-N 2 0 353.551 3.484 20 0 FGADRP CCC[NH+]1CCC([NH2+]C[C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)CC1 ZINC000824081030 729318939 /nfs/dbraw/zinc/31/89/39/729318939.db2.gz RPUFLWQFJITHRW-DLBZAZTESA-N 2 0 353.551 3.486 20 0 FGADRP C[NH+](C)CCCC1CC[NH+](C[C@H]2CN(C3CCCCC3)C(=O)O2)CC1 ZINC000828121624 729440245 /nfs/dbraw/zinc/44/02/45/729440245.db2.gz GBMNGZHJYIDHGA-IBGZPJMESA-N 2 0 351.535 3.194 20 0 FGADRP CCN(CCC[NH+](CC)CC)C(=O)C[C@H]([NH3+])c1cc(C)nc(Cl)c1 ZINC000831975386 729679300 /nfs/dbraw/zinc/67/93/00/729679300.db2.gz LYMLCLBTTXWAIX-INIZCTEOSA-N 2 0 354.926 3.014 20 0 FGADRP CC[C@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000834508757 729808504 /nfs/dbraw/zinc/80/85/04/729808504.db2.gz QGJVHUTVIFZPAZ-RYQLBKOJSA-N 2 0 351.535 3.238 20 0 FGADRP C[C@@H]([NH2+]CCCC[N@H+](C)C1CC1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000834911620 729845825 /nfs/dbraw/zinc/84/58/25/729845825.db2.gz ZOIRTOWCZFQRAQ-CYBMUJFWSA-N 2 0 360.470 3.208 20 0 FGADRP C[C@@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000840808732 730177387 /nfs/dbraw/zinc/17/73/87/730177387.db2.gz OPEDWRSWZMFJEZ-ZIAGYGMSSA-N 2 0 360.470 3.065 20 0 FGADRP Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C[NH2+][C@@H]1CC[C@@H](C[NH3+])C1 ZINC000841084185 730208891 /nfs/dbraw/zinc/20/88/91/730208891.db2.gz ILNUCHRRNOWCHG-GDBMZVCRSA-N 2 0 350.869 3.249 20 0 FGADRP C[C@H](CNC(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1)[NH+]1CCCCC1 ZINC000841323863 730232364 /nfs/dbraw/zinc/23/23/64/730232364.db2.gz RPQHKNZBPGCZGX-GFCCVEGCSA-N 2 0 358.408 3.160 20 0 FGADRP Cc1n[nH]cc1C[NH+](C)CC[Si](C)(C)CC[N@@H+](C)Cc1c[nH]nc1C ZINC000879188319 736965735 /nfs/dbraw/zinc/96/57/35/736965735.db2.gz JZEXHPVWJGUZFS-UHFFFAOYSA-N 2 0 362.598 3.022 20 0 FGADRP Cc1nn(Cc2ccccc2)c(Cl)c1C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000843126320 730589032 /nfs/dbraw/zinc/58/90/32/730589032.db2.gz JCUBPUZVTWOPKD-UHFFFAOYSA-N 2 0 358.917 3.469 20 0 FGADRP C[C@@H](NC(=O)C[N@H+](C)C1CCC([NH3+])CC1)c1ccc(Cl)cc1Cl ZINC000843354213 730609807 /nfs/dbraw/zinc/60/98/07/730609807.db2.gz YTNKSAMBXAXOIQ-LMWSTFAQSA-N 2 0 358.313 3.372 20 0 FGADRP C[C@H]1C[C@H]([NH2+]CC2CC[NH+](C3CC3)CC2)CN(C(=O)OC(C)(C)C)C1 ZINC000843405136 730616071 /nfs/dbraw/zinc/61/60/71/730616071.db2.gz BHDBIWUDODLTIO-RDJZCZTQSA-N 2 0 351.535 3.096 20 0 FGADRP CC(C)(C)OC(=O)NCCC1CC([NH2+]C2CC[NH+](CC3CC3)CC2)C1 ZINC000845923837 730909646 /nfs/dbraw/zinc/90/96/46/730909646.db2.gz FJSBBOMHHDEDMV-UHFFFAOYSA-N 2 0 351.535 3.144 20 0 FGADRP Cn1c(C[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)cnc1Cl ZINC000848547163 731178964 /nfs/dbraw/zinc/17/89/64/731178964.db2.gz LBFNTGJWPIJXPU-BHIYHBOVSA-N 2 0 358.917 3.464 20 0 FGADRP CSC1(C[NH2+][C@H]2CCC[C@H](NC(=O)OC(C)(C)C)C2)CC[NH+](C)CC1 ZINC000848551145 731180235 /nfs/dbraw/zinc/18/02/35/731180235.db2.gz FCKDCKAEYOQQQV-HOTGVXAUSA-N 2 0 371.591 3.239 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCCc1cccc(C(F)(F)F)c1 ZINC000849066437 731225297 /nfs/dbraw/zinc/22/52/97/731225297.db2.gz FCXLIWMZQGXVLD-INIZCTEOSA-N 2 0 356.436 3.236 20 0 FGADRP [NH2+]=C(NCCSC(F)(F)F)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000849069616 731225671 /nfs/dbraw/zinc/22/56/71/731225671.db2.gz OUUAOFSBLRJFMI-UHFFFAOYSA-N 2 0 360.449 3.018 20 0 FGADRP [NH2+]=C(NCCc1cccs1)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000849068526 731225874 /nfs/dbraw/zinc/22/58/74/731225874.db2.gz NMLZMFMTQVNOLD-GOSISDBHSA-N 2 0 356.539 3.317 20 0 FGADRP C[C@H](NC(=[NH2+])NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccc(Cl)cc1Cl ZINC000849074202 731225951 /nfs/dbraw/zinc/22/59/51/731225951.db2.gz GIPOAACIHYYRKW-FPMFFAJLSA-N 2 0 371.312 3.032 20 0 FGADRP CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)NCCCCCCC[NH+]2CCCC2)C1 ZINC000853819858 731758443 /nfs/dbraw/zinc/75/84/43/731758443.db2.gz CVWMGZYAVJPNIG-GOSISDBHSA-N 2 0 352.567 3.205 20 0 FGADRP Cc1cc(C[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)c(Br)cc1F ZINC000858161851 732187703 /nfs/dbraw/zinc/18/77/03/732187703.db2.gz GODKYXJFJNSIEN-UHFFFAOYSA-N 2 0 372.326 3.012 20 0 FGADRP C[C@@H]1C[N@@H+]([C@@H]2CC[NH+](C)C(C)(C)C2)C[C@@]1(C)CNC(=O)OC(C)(C)C ZINC000858165439 732188379 /nfs/dbraw/zinc/18/83/79/732188379.db2.gz SZCBIXHSKPSQGG-JXXFODFXSA-N 2 0 353.551 3.342 20 0 FGADRP C[NH+](C)C1CCC([NH2+][C@H]2CCN(C(=O)OC(C)(C)C)C23CCC3)CC1 ZINC000858477941 732218997 /nfs/dbraw/zinc/21/89/97/732218997.db2.gz WCFHKBLFPFOGFO-JCYILVPMSA-N 2 0 351.535 3.381 20 0 FGADRP CC(C)[NH+]1CCC([NH2+]C[C@H](CC(F)(F)F)NC(=O)OC(C)(C)C)CC1 ZINC000865404692 733192730 /nfs/dbraw/zinc/19/27/30/733192730.db2.gz RRRGPTSOUOPTRW-AWEZNQCLSA-N 2 0 367.456 3.295 20 0 FGADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+]C[C@H](CC(F)F)NC(=O)OC(C)(C)C)C1 ZINC000865449769 733203447 /nfs/dbraw/zinc/20/34/47/733203447.db2.gz FBAQDGAOHUOFPH-CABCVRRESA-N 2 0 363.493 3.245 20 0 FGADRP CC(C)(C)c1csc(C[NH2+]CC2CC[NH+](C3CCOCC3)CC2)n1 ZINC000865621012 733239252 /nfs/dbraw/zinc/23/92/52/733239252.db2.gz VHNIEHUGYPBQFH-UHFFFAOYSA-N 2 0 351.560 3.421 20 0 FGADRP C[C@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1cc2c(ccnc2Cl)o1 ZINC000866264716 733331074 /nfs/dbraw/zinc/33/10/74/733331074.db2.gz DVQYVURBUGZVKX-UONOGXRCSA-N 2 0 362.905 3.300 20 0 FGADRP CC(C)[NH+]1CCC(CC[NH2+][C@H](C)C2CN(C(=O)OC(C)(C)C)C2)CC1 ZINC000866468527 733353999 /nfs/dbraw/zinc/35/39/99/733353999.db2.gz FYRIUAPIEIMBRO-MRXNPFEDSA-N 2 0 353.551 3.342 20 0 FGADRP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]C[C@@H]2CC3(CO2)CCOCC3)CC1 ZINC000866534628 733362634 /nfs/dbraw/zinc/36/26/34/733362634.db2.gz WUCVKEOMXKWXFT-YZGWKJHDSA-N 2 0 350.547 3.205 20 0 FGADRP C[C@@H](c1ccc(OC(F)F)cc1)[NH+]1CCC(N2CC[NH+](C)CC2)CC1 ZINC000866589114 733370774 /nfs/dbraw/zinc/37/07/74/733370774.db2.gz DDPNJUNWYZNAIQ-HNNXBMFYSA-N 2 0 353.457 3.061 20 0 FGADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)NC2CCC(C)([NH+](C)C)CC2)C1 ZINC000868103221 733556501 /nfs/dbraw/zinc/55/65/01/733556501.db2.gz QBGVEYXGONVFNP-PGYGNJIDSA-N 2 0 352.567 3.061 20 0 FGADRP C[N@@H+]1CCC[C@H](C[NH2+][C@@H](c2cccc(Br)c2)[C@H]2CCOC2)C1 ZINC000872035133 735579642 /nfs/dbraw/zinc/57/96/42/735579642.db2.gz LODUDFDKYDGEHP-HFTRVMKXSA-N 2 0 367.331 3.458 20 0 FGADRP C[C@H](CC(=O)Nc1cccnc1Cl)[NH2+]CC[C@H]([NH3+])Cc1ccccc1 ZINC000873235933 735741803 /nfs/dbraw/zinc/74/18/03/735741803.db2.gz UYAZAKZNZFXHAI-ZBFHGGJFSA-N 2 0 360.889 3.002 20 0 FGADRP C[C@H]([NH2+]Cc1cccc(-n2cc(C[NH3+])nn2)c1)c1cc2c(s1)CCC2 ZINC000873244004 735743216 /nfs/dbraw/zinc/74/32/16/735743216.db2.gz OTATXTPQJGDQJP-ZDUSSCGKSA-N 2 0 353.495 3.127 20 0 FGADRP C[C@H]([NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2)c1nc2ccc(Cl)cc2n1C ZINC000873292571 735747204 /nfs/dbraw/zinc/74/72/04/735747204.db2.gz ULHGNWGZKJMOCH-DZGCQCFKSA-N 2 0 362.905 3.036 20 0 FGADRP C[C@@H]([NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2)c1cc(Cl)c(N)c(Cl)c1 ZINC000873292703 735747698 /nfs/dbraw/zinc/74/76/98/735747698.db2.gz UZQBUDAWBGJNFN-DGCLKSJQSA-N 2 0 358.313 3.385 20 0 FGADRP C[C@@H]([NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2)c1ccc(F)cc1OC(F)F ZINC000873292600 735747724 /nfs/dbraw/zinc/74/77/24/735747724.db2.gz UQJBHXDYJLFPMZ-OCCSQVGLSA-N 2 0 358.404 3.236 20 0 FGADRP C[NH+](C)C[C@@H](NC(=O)[C@H]1CC[C@@H]([NH3+])CC1)c1ccc(Cl)c(Cl)c1 ZINC000877053889 736181115 /nfs/dbraw/zinc/18/11/15/736181115.db2.gz ZLGDIVKWDYPWMJ-PVXIVEMSSA-N 2 0 358.313 3.230 20 0 FGADRP CC[NH+]1CCC(N2CCC[N@H+](C[C@@H]3CC(C)(C)OC3(C)C)CC2)CC1 ZINC000878721228 736911079 /nfs/dbraw/zinc/91/10/79/736911079.db2.gz FLXDEPDFFPJPHQ-SFHVURJKSA-N 2 0 351.579 3.072 20 0 FGADRP C[NH+]1CCC2(CC[N@H+](CC[C@H]3CCN(C(=O)OC(C)(C)C)C3)C2)CC1 ZINC000878864085 736927001 /nfs/dbraw/zinc/92/70/01/736927001.db2.gz PMFRGNHKKHRQLN-KRWDZBQOSA-N 2 0 351.535 3.051 20 0 FGADRP O[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+][C@H]2CCOC3(CCCCC3)C2)CC1 ZINC000886026263 739209880 /nfs/dbraw/zinc/20/98/80/739209880.db2.gz RTVMUTOQJPDSDJ-XUVXKRRUSA-N 2 0 350.547 3.226 20 0 FGADRP C[C@H]1C[C@@]2(CC[C@@H](C[NH2+]C3CC[NH+]([C@H]4CCC[C@@H](C)C4)CC3)O2)CO1 ZINC000886761964 739293882 /nfs/dbraw/zinc/29/38/82/739293882.db2.gz OFIVFKCPPNOIQA-DIZVHYTASA-N 2 0 350.547 3.346 20 0 FGADRP COCCCC1(C[NH+]2CCC(N3CC[NH+](C(C)C)CC3)CC2)CCC1 ZINC000892192049 739974336 /nfs/dbraw/zinc/97/43/36/739974336.db2.gz JHUDPEVDIHVMQL-UHFFFAOYSA-N 2 0 351.579 3.074 20 0 FGADRP F[C@@H]1CC2(CC[C@H]1[NH2+]CC1CC[NH+](Cc3cccs3)CC1)OCCO2 ZINC000892752379 740040604 /nfs/dbraw/zinc/04/06/04/740040604.db2.gz IHQAIDNEBQVLAV-QZTJIDSGSA-N 2 0 368.518 3.183 20 0 FGADRP CCOC(=O)c1ncc(C[NH2+]C2CCC([NH+]3CCC(C)CC3)CC2)s1 ZINC000893187668 742121604 /nfs/dbraw/zinc/12/16/04/742121604.db2.gz TUAQVTFEGYDFRR-UHFFFAOYSA-N 2 0 365.543 3.453 20 0 FGADRP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]CC2(C)CC[NH+](C)CC2)C[C@H]1C(F)(F)F ZINC000893470359 742157389 /nfs/dbraw/zinc/15/73/89/742157389.db2.gz HOIQOSNCFOEIPX-RBSFLKMASA-N 2 0 364.452 3.218 20 0 FGADRP [NH3+]C1CC[NH+](CCc2cc(-c3ccc(Br)cc3)no2)CC1 ZINC000901389336 743266370 /nfs/dbraw/zinc/26/63/70/743266370.db2.gz RDFOGJBLPCPNTL-UHFFFAOYSA-N 2 0 350.260 3.070 20 0 FGADRP CS(=O)(=O)[C@@H]1CCC[C@@H]([NH2+][C@H](CCCC[NH3+])c2ccc(F)cc2F)C1 ZINC000902345545 743734618 /nfs/dbraw/zinc/73/46/18/743734618.db2.gz DAQGXHAPWNKLRW-IIDMSEBBSA-N 2 0 374.497 3.080 20 0 FGADRP COC(=O)c1ccc([C@H](C)[NH2+]CC2(SC)CC[NH+](C)CC2)c(C)c1 ZINC000902992746 743796780 /nfs/dbraw/zinc/79/67/80/743796780.db2.gz LRMNNYQDQNMJOU-HNNXBMFYSA-N 2 0 350.528 3.260 20 0 FGADRP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](C[C@@H]2[C@@H](c3ccccc3)C2(F)F)CC1 ZINC000903458608 743853134 /nfs/dbraw/zinc/85/31/34/743853134.db2.gz FLHZLGRZFDOJFQ-NCXUSEDFSA-N 2 0 350.453 3.254 20 0 FGADRP Cc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]C[C@@H]1C[NH2+]CCC1(F)F ZINC000903957604 743905291 /nfs/dbraw/zinc/90/52/91/743905291.db2.gz RJRHZQQQHGLKCG-OLZOCXBDSA-N 2 0 359.848 3.200 20 0 FGADRP CC1([NH+]2CCC2)CCC([NH2+]C[C@H](O)c2ccc(Br)cc2)CC1 ZINC000905603372 744035836 /nfs/dbraw/zinc/03/58/36/744035836.db2.gz ZLJLKZLWNWWTLB-ADKAHSJRSA-N 2 0 367.331 3.479 20 0 FGADRP CCC(CC)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C(C)(C)C1 ZINC000940757294 762160080 /nfs/dbraw/zinc/16/00/80/762160080.db2.gz YPNRBHAUWSTQRX-OTWHNJEPSA-N 2 0 351.579 3.370 20 0 FGADRP C[N@@H+]1CCC[C@H]1CSc1nnc(CN2CCCC2)n1-c1ccccc1 ZINC000915507228 757942107 /nfs/dbraw/zinc/94/21/07/757942107.db2.gz DNFWGXPKXHYINY-KRWDZBQOSA-N 2 0 357.527 3.049 20 0 FGADRP CC(C)(C)OC(=O)NC[C@@H]1CC[C@H]([NH2+]C2CC([NH+]3CCCCC3)C2)C1 ZINC000922081420 758847743 /nfs/dbraw/zinc/84/77/43/758847743.db2.gz OQNHZMCZJRYAER-VEZWFGLTSA-N 2 0 351.535 3.286 20 0 FGADRP Clc1n[nH]c(C2CC2)c1C[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000922244023 758879595 /nfs/dbraw/zinc/87/95/95/758879595.db2.gz QOWXYWLBTKANRF-UHFFFAOYSA-N 2 0 359.905 3.337 20 0 FGADRP CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]C/C=C/c1ccc(F)cc1F)C2 ZINC000922387417 758909380 /nfs/dbraw/zinc/90/93/80/758909380.db2.gz KRWDXRJNTCRZQR-PNCFCEPOSA-N 2 0 350.453 3.047 20 0 FGADRP CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]Cc3cnc(CC(C)C)s3)C2)[C@H]1C(C)C ZINC000922393942 758913692 /nfs/dbraw/zinc/91/36/92/758913692.db2.gz NZUFPCJHLQTGJL-HNBVOPMISA-N 2 0 365.587 3.301 20 0 FGADRP O[C@@H](Cc1ccc(C(F)(F)F)cc1)CN1CCC([NH2+]CC2CC2)CC1 ZINC000923291227 759096194 /nfs/dbraw/zinc/09/61/94/759096194.db2.gz CBLLXVIIHOFMME-SFHVURJKSA-N 2 0 356.432 3.073 20 0 FGADRP Brc1cnc2c(c1)[C@@H]([NH2+]C[C@H]1CC[N@@H+](C3CC3)C1)CCC2 ZINC000924648119 759367987 /nfs/dbraw/zinc/36/79/87/759367987.db2.gz KPZJPHXFVSFRJE-WBMJQRKESA-N 2 0 350.304 3.295 20 0 FGADRP C[C@@H]([NH2+]Cc1cccc(OCC[N@H+](C)C2CCOCC2)c1)C1(Cl)CC1 ZINC000924929949 759419798 /nfs/dbraw/zinc/41/97/98/759419798.db2.gz OBFFTFTVBGERGB-MRXNPFEDSA-N 2 0 366.933 3.426 20 0 FGADRP COc1ccc(Cl)cc1NC(=O)CC[NH2+][C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925530774 759501281 /nfs/dbraw/zinc/50/12/81/759501281.db2.gz UGHLXVGLJVQBCB-JEBQAFNWSA-N 2 0 365.905 3.043 20 0 FGADRP Brc1cnn(CCCC[NH2+][C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)c1 ZINC000925653461 759517619 /nfs/dbraw/zinc/51/76/19/759517619.db2.gz LSTTUJOATDVLOY-IAGOWNOFSA-N 2 0 369.351 3.184 20 0 FGADRP C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1[NH2+][C@H]1CCN(c3cccc(Br)c3)C1)[NH2+]2 ZINC000925657372 759519976 /nfs/dbraw/zinc/51/99/76/759519976.db2.gz OBTKWTHJEVJQMM-YOQCSXPPSA-N 2 0 364.331 3.146 20 0 FGADRP C(C[C@@H]1CCC2(CCOCC2)CO1)[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000925773668 759534435 /nfs/dbraw/zinc/53/44/35/759534435.db2.gz ODGMQVZNTKTWAM-VNTMZGSJSA-N 2 0 350.547 3.253 20 0 FGADRP C[C@@H]([NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1cccc(Cl)c1Cl ZINC000925855986 759560595 /nfs/dbraw/zinc/56/05/95/759560595.db2.gz RCGFLSBMWCLALU-NEPJUHHUSA-N 2 0 357.281 3.329 20 0 FGADRP CC(C)[C@@H]([NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ccc(Cl)cc1 ZINC000925860176 759562672 /nfs/dbraw/zinc/56/26/72/759562672.db2.gz ZZZPPIDKZWOANF-DLBZAZTESA-N 2 0 350.890 3.312 20 0 FGADRP C[C@@H]1C[C@@H]([NH2+]C[C@]23CCC[C@H]2N(C(=O)OC(C)(C)C)CC3)CC[N@@H+]1C ZINC000927005806 759875192 /nfs/dbraw/zinc/87/51/92/759875192.db2.gz PJACHRNKWIHOLX-AXVVYFOYSA-N 2 0 351.535 3.238 20 0 FGADRP CCC[N@H+](C)C[C@H]1CC[NH+](C[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)C2)C1 ZINC000929778423 760455243 /nfs/dbraw/zinc/45/52/43/760455243.db2.gz IWWLLDZKOLDTHH-KURKYZTESA-N 2 0 353.551 3.344 20 0 FGADRP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](C[C@H](O)CCC2(O)CCC2)CC1 ZINC000929841079 760468254 /nfs/dbraw/zinc/46/82/54/760468254.db2.gz KBJFDBKFBPSICY-AZUAARDMSA-N 2 0 352.563 3.019 20 0 FGADRP C[N@@H+]1CC[C@@H]2CN(Cc3nnc(-c4cc5c(s4)CCCC5)o3)C[C@@H]2C1 ZINC000931431955 760859950 /nfs/dbraw/zinc/85/99/50/760859950.db2.gz GWTGFWIJSZFQHC-CABCVRRESA-N 2 0 358.511 3.060 20 0 FGADRP C[N@@H+]1CC[C@@H]2C[NH+](C[C@@H]3Cc4ccccc4O[C@H]3C(F)(F)F)C[C@@H]2C1 ZINC000931441330 760862818 /nfs/dbraw/zinc/86/28/18/760862818.db2.gz GJXKISFPEDSTKE-MUQADHOPSA-N 2 0 354.416 3.052 20 0 FGADRP C[C@H]([NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1)c1cccc(Cl)c1 ZINC000983705460 763659502 /nfs/dbraw/zinc/65/95/02/763659502.db2.gz VCDUVHIGWSGIOW-GLIGQWPOSA-N 2 0 363.933 3.226 20 0 FGADRP CC[C@@H]1[C@@H](C(=O)N[C@]23CCC[C@H]2[NH+](Cc2ccsc2)CC3)CC[N@@H+]1C ZINC000990761495 764561166 /nfs/dbraw/zinc/56/11/66/764561166.db2.gz IUIQUHJLAPGCMD-XFKSJGNHSA-N 2 0 361.555 3.092 20 0 FGADRP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3cccc(Cl)c3Cl)C2)CC[N@@H+]1C ZINC001020172054 765865773 /nfs/dbraw/zinc/86/57/73/765865773.db2.gz KKRWZSLJMGBJAL-NMFUWQPSSA-N 2 0 370.324 3.070 20 0 FGADRP C[C@@H]1[C@H](C(=O)N2CCCC[C@@H]2C[NH2+]Cc2cccc(Cl)c2)CC[N@@H+]1C ZINC001024967582 766064717 /nfs/dbraw/zinc/06/47/17/766064717.db2.gz XHDIRKZWHHBPIF-ATZDWAIDSA-N 2 0 363.933 3.151 20 0 FGADRP Cc1cccc(Cl)c1C[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001027895355 766105656 /nfs/dbraw/zinc/10/56/56/766105656.db2.gz WANHLPMRVHKMLJ-IXDOHACOSA-N 2 0 363.933 3.069 20 0 FGADRP Cc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c(Cl)c1 ZINC001034939619 766250614 /nfs/dbraw/zinc/25/06/14/766250614.db2.gz HTFBWHQBGKAJBU-KBAYOESNSA-N 2 0 363.933 3.069 20 0 FGADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCC[NH+](Cc3csc(C)c3)CC2)CC[N@@H+]1C ZINC001052394219 766898903 /nfs/dbraw/zinc/89/89/03/766898903.db2.gz BINAZFJGGZQGJA-GBESFXJTSA-N 2 0 363.571 3.258 20 0 FGADRP C[C@@H]1[C@H](C(=O)N[C@H]2CCC[NH+](Cc3ccc(Cl)cc3)CC2)CC[N@@H+]1C ZINC001052392183 766899338 /nfs/dbraw/zinc/89/93/38/766899338.db2.gz VGCIJTWOPSSTNW-AYOQOUSVSA-N 2 0 363.933 3.151 20 0 FGADRP Cc1nccn1CCC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000779021878 724381450 /nfs/dbraw/zinc/38/14/50/724381450.db2.gz ZKKXFNJUXXKEDG-RDJZCZTQSA-N 2 0 350.507 3.207 20 0 FGADRP CN1CC[NH+](CC2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)CC1 ZINC000265469226 257372088 /nfs/dbraw/zinc/37/20/88/257372088.db2.gz ZKPIVDOUBUEVRV-UHFFFAOYSA-N 2 0 355.448 3.165 20 0 FGADRP C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2cn(Cc3ccccc3)nc2-c2cccnc2)C1 ZINC000097102803 222160403 /nfs/dbraw/zinc/16/04/03/222160403.db2.gz BXELFMDGJJUYMT-FXAWDEMLSA-N 2 0 361.493 3.163 20 0 FGADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@H](CO)Cc1ccccc1C(F)(F)F ZINC000536848637 503740313 /nfs/dbraw/zinc/74/03/13/503740313.db2.gz ZEEPHVXBNWQLDN-ATNYBXOESA-N 2 0 358.448 3.175 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)CC[NH+]1CCCC[C@H]1C ZINC000567940456 505579844 /nfs/dbraw/zinc/57/98/44/505579844.db2.gz YHKYQCHLCCTIDX-SFHLNBCPSA-N 2 0 357.542 3.278 20 0 FGADRP C[NH+](C)[C@@H](CNC(=O)c1ccccc1CC1CC[NH2+]CC1)c1cccs1 ZINC000567968253 505585270 /nfs/dbraw/zinc/58/52/70/505585270.db2.gz WBCPLVHDDINGMQ-IBGZPJMESA-N 2 0 371.550 3.323 20 0 FGADRP O=C([C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)N1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000567982801 505590161 /nfs/dbraw/zinc/59/01/61/505590161.db2.gz RRNCUDJBCDSJLO-SBHAEUEKSA-N 2 0 373.516 3.028 20 0 FGADRP C[C@H]1CCC[C@H]([NH+]2CCC([NH2+]Cc3ccc(Cn4cncn4)cc3)CC2)C1 ZINC000579631463 505590803 /nfs/dbraw/zinc/59/08/03/505590803.db2.gz ZRDJFIPFJRFGEC-AVRDEDQJSA-N 2 0 367.541 3.459 20 0 FGADRP C[C@@H]1CN([C@H](C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)c2c(F)cccc2Cl)CCO1 ZINC000579734907 505610327 /nfs/dbraw/zinc/61/03/27/505610327.db2.gz ZUNGSFZUTRTIDY-ZXFNITATSA-N 2 0 369.912 3.100 20 0 FGADRP C[C@@H](C[NH+](C)C)NC(=O)Nc1ccc(SCC[NH+]2CCCCC2)cc1 ZINC000570960970 505621490 /nfs/dbraw/zinc/62/14/90/505621490.db2.gz ZUCFPHLLVYCSIC-INIZCTEOSA-N 2 0 364.559 3.336 20 0 FGADRP CCN(CC(=O)N1CCC([C@H]2CCC[NH2+]2)CC1)Cc1ccccc1Cl ZINC000579826500 505627390 /nfs/dbraw/zinc/62/73/90/505627390.db2.gz AYKBXMNRVQREBO-LJQANCHMSA-N 2 0 363.933 3.153 20 0 FGADRP C[C@@H](CC(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C)C1CC[NH2+]CC1 ZINC000579829486 505628538 /nfs/dbraw/zinc/62/85/38/505628538.db2.gz MOTHSSZBCXPXQH-KSSFIOAISA-N 2 0 351.922 3.085 20 0 FGADRP Brc1ccc(-c2nc(CN3CC[C@@H]4C[NH2+]C[C@@H]4C3)co2)cc1 ZINC000579834192 505629266 /nfs/dbraw/zinc/62/92/66/505629266.db2.gz PVBWLFRMWDTSLB-ZIAGYGMSSA-N 2 0 362.271 3.145 20 0 FGADRP CCN(C(=O)[C@H](C)Cc1c[nH]cn1)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000568189399 505638453 /nfs/dbraw/zinc/63/84/53/505638453.db2.gz GRLKINYXXXXFAC-MBOZVWFJSA-N 2 0 354.498 3.272 20 0 FGADRP c1cncc(COc2ccc(C[NH+]3CCC([C@H]4CC[NH2+]C4)CC3)cc2)c1 ZINC000571046456 505640926 /nfs/dbraw/zinc/64/09/26/505640926.db2.gz HRHYRLXVXIFQKY-NRFANRHFSA-N 2 0 351.494 3.482 20 0 FGADRP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc(I)cc1 ZINC000037648833 494108168 /nfs/dbraw/zinc/10/81/68/494108168.db2.gz DXOQNZZFPJXIBM-STQMWFEESA-N 2 0 370.278 3.426 20 0 FGADRP O=C(NC[C@H]1CCC[N@@H+]1Cc1ccccc1)Nc1cccc2c1CC[NH2+]C2 ZINC000568226362 505647522 /nfs/dbraw/zinc/64/75/22/505647522.db2.gz RDJXIXSWXCKJHI-LJQANCHMSA-N 2 0 364.493 3.118 20 0 FGADRP C[C@H]([NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1ccc(Br)cn1 ZINC000580024605 505664180 /nfs/dbraw/zinc/66/41/80/505664180.db2.gz FHOQYVBWOTVHCV-KFWWJZLASA-N 2 0 370.335 3.384 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1csc(C(C)(C)C)n1 ZINC000577105830 505665411 /nfs/dbraw/zinc/66/54/11/505665411.db2.gz WSWHEZQWBQFPFP-KRWDZBQOSA-N 2 0 352.592 3.289 20 0 FGADRP C[C@H](NC(=O)NCc1ccccc1C[NH+]1CCCCCC1)[C@@H]1CCC[NH2+]C1 ZINC000577164712 505678495 /nfs/dbraw/zinc/67/84/95/505678495.db2.gz XIIYCYCKQFWKPM-RBUKOAKNSA-N 2 0 372.557 3.250 20 0 FGADRP CCc1ccc(CN(C)C(=O)C[NH+]2CCC(C[NH+](CC)CC)CC2)cc1 ZINC000047977994 493767874 /nfs/dbraw/zinc/76/78/74/493767874.db2.gz AUUGWDAULLKRCF-UHFFFAOYSA-N 2 0 359.558 3.261 20 0 FGADRP C[N@@H+](Cc1ccccc1)CC1CC[NH+](CC(=O)NC2CCCCC2)CC1 ZINC000057843775 493807072 /nfs/dbraw/zinc/80/70/72/493807072.db2.gz USSUQKPLZYJBOL-UHFFFAOYSA-N 2 0 357.542 3.279 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)N1CCC[N@@H+](C(C)C)CC1)c1ccccc1 ZINC000076052091 493813176 /nfs/dbraw/zinc/81/31/76/493813176.db2.gz QGYLGWKEZCANNE-FQEVSTJZSA-N 2 0 360.546 3.195 20 0 FGADRP CC1CC[NH+](Cc2ccccc2CNC(=O)NC[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000574060077 505684395 /nfs/dbraw/zinc/68/43/95/505684395.db2.gz ROABKHVLZOZDRZ-NQIIRXRSSA-N 2 0 372.557 3.235 20 0 FGADRP C[NH+](C)Cc1ccccc1CNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000050025597 493891596 /nfs/dbraw/zinc/89/15/96/493891596.db2.gz MFVCTJYRUPXTOB-NRFANRHFSA-N 2 0 351.494 3.029 20 0 FGADRP C[NH+](C)[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1)c1cccs1 ZINC000050024751 493891896 /nfs/dbraw/zinc/89/18/96/493891896.db2.gz WIFFQQMRRGTFFD-ROUUACIJSA-N 2 0 357.523 3.132 20 0 FGADRP C[NH+](C)[C@H](CNC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccsc1 ZINC000050028923 493892988 /nfs/dbraw/zinc/89/29/88/493892988.db2.gz AOUQWEDFNWNRCP-UYAOXDASSA-N 2 0 371.550 3.379 20 0 FGADRP CC(C)[NH+]1CCC(C(=O)N2CC[C@@H](C)[N@H+](Cc3ccccc3)CC2)CC1 ZINC000081484363 493901183 /nfs/dbraw/zinc/90/11/83/493901183.db2.gz UPVXEWITZAGBEM-LJQANCHMSA-N 2 0 357.542 3.230 20 0 FGADRP Cc1ccccc1C[NH+]1CCC(NC(=O)C[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000051158532 493952030 /nfs/dbraw/zinc/95/20/30/493952030.db2.gz HDSVXERECRISFH-ROUUACIJSA-N 2 0 357.542 3.054 20 0 FGADRP CC[C@@H](CNC(=O)NCC[NH+](C(C)C)C(C)C)[N@@H+]1CCc2ccccc2C1 ZINC000060955284 493960495 /nfs/dbraw/zinc/96/04/95/493960495.db2.gz BJTFNNPBKIOWFP-NRFANRHFSA-N 2 0 374.573 3.241 20 0 FGADRP C[C@H]1C[NH+](CCCC[NH2+]Cc2cnc(-c3ccccc3)nc2)C[C@H](C)O1 ZINC000062252811 494008203 /nfs/dbraw/zinc/00/82/03/494008203.db2.gz LJGAIRITPPGFHJ-ROUUACIJSA-N 2 0 354.498 3.123 20 0 FGADRP CC[N@H+](C)Cc1cccc(CNC(=O)NCCC[NH+]2CCCC[C@@H]2C)c1 ZINC000062473391 494013605 /nfs/dbraw/zinc/01/36/05/494013605.db2.gz NFHLUVNPCFUTGT-SFHVURJKSA-N 2 0 360.546 3.202 20 0 FGADRP CC(C)[NH+](CCNC(=O)N(CC[NH+](C)C)Cc1cccc(F)c1)C(C)C ZINC000062474152 494014143 /nfs/dbraw/zinc/01/41/43/494014143.db2.gz SVGSMPYQPHRUHD-UHFFFAOYSA-N 2 0 366.525 3.018 20 0 FGADRP CC(C)C[NH+]1CCC(NC(=O)C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000063586600 494066950 /nfs/dbraw/zinc/06/69/50/494066950.db2.gz KHJRNEVUBKIDMF-UHFFFAOYSA-N 2 0 357.542 3.135 20 0 FGADRP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCCCC1)C(=O)N1CCC(C)CC1 ZINC000071124072 494089931 /nfs/dbraw/zinc/08/99/31/494089931.db2.gz JHYJYGVNELXMPC-LJQANCHMSA-N 2 0 357.542 3.409 20 0 FGADRP C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)N2CC[NH+](C3CCCC3)CC2)C1 ZINC000072020130 494116956 /nfs/dbraw/zinc/11/69/56/494116956.db2.gz USNZTJSWECKWAB-ROUUACIJSA-N 2 0 364.578 3.013 20 0 FGADRP C[C@H](NC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1)C(C)(C)C[NH+](C)C ZINC000085423829 494124304 /nfs/dbraw/zinc/12/43/04/494124304.db2.gz GAQOQPAEEJORHU-OALUTQOASA-N 2 0 366.594 3.260 20 0 FGADRP CC(C)CN(CC[NH+](C)C)C(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000065517537 494207530 /nfs/dbraw/zinc/20/75/30/494207530.db2.gz LEMAGFQKFFYIQK-NRFANRHFSA-N 2 0 374.573 3.128 20 0 FGADRP Clc1ccc2cccnc2c1C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000054338537 494221625 /nfs/dbraw/zinc/22/16/25/494221625.db2.gz GNIQALSHTNNGLQ-UHFFFAOYSA-N 2 0 359.901 3.432 20 0 FGADRP CC[C@@H]1C[C@H](C)C[N@@H+]1CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000072697618 494236340 /nfs/dbraw/zinc/23/63/40/494236340.db2.gz WQWIAEIARINEOC-QFBILLFUSA-N 2 0 361.555 3.294 20 0 FGADRP CCC1(O)CC[NH+](Cc2ccc(C[NH+]3CCC(O)(CC)CC3)cc2)CC1 ZINC000072724866 494241707 /nfs/dbraw/zinc/24/17/07/494241707.db2.gz WRRXNKLHMDUSHA-UHFFFAOYSA-N 2 0 360.542 3.160 20 0 FGADRP CCC[N@@H+]1CC[C@@H](CNC(=O)NCc2cccc(C[NH+](CC)CC)c2)C1 ZINC000054511136 494243543 /nfs/dbraw/zinc/24/35/43/494243543.db2.gz AFRQRHROCHNKBZ-FQEVSTJZSA-N 2 0 360.546 3.060 20 0 FGADRP CC(C)[NH+](CCNC(=O)N[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1)C(C)C ZINC000054718331 494264253 /nfs/dbraw/zinc/26/42/53/494264253.db2.gz YJPNKPYRZDKPCA-ICSRJNTNSA-N 2 0 360.546 3.240 20 0 FGADRP C[NH+](C)CCOc1ccc(NC(=O)Nc2cccc(C[NH+](C)C)c2)cc1 ZINC000072928790 494284133 /nfs/dbraw/zinc/28/41/33/494284133.db2.gz GVEKQZRNAIDJHU-UHFFFAOYSA-N 2 0 356.470 3.333 20 0 FGADRP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)c1ccc([C@@H](C)[NH3+])cc1 ZINC000568507114 505711850 /nfs/dbraw/zinc/71/18/50/505711850.db2.gz XHHUGSWTNNJFDZ-MRXNPFEDSA-N 2 0 352.482 3.019 20 0 FGADRP CC[NH+](CC)[C@H](C(=O)NC[C@H]1CC[N@H+](C)C1)c1cccc(C(F)(F)F)c1 ZINC000073012998 494305593 /nfs/dbraw/zinc/30/55/93/494305593.db2.gz YRILAERJAXJRAA-PBHICJAKSA-N 2 0 371.447 3.156 20 0 FGADRP CC(C)[C@@H](CNC(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1)[NH+]1CCC(C)CC1 ZINC000078523035 494313299 /nfs/dbraw/zinc/31/32/99/494313299.db2.gz DPHBWSBREUBWOS-WOJBJXKFSA-N 2 0 366.594 3.163 20 0 FGADRP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]CCC(=O)Nc2ccc(Br)cc2)C1 ZINC000577365045 505713946 /nfs/dbraw/zinc/71/39/46/505713946.db2.gz OPVWUEDJUADPIX-HZPDHXFCSA-N 2 0 368.319 3.240 20 0 FGADRP CCC[N@@H+]1CC[C@H](CNC(=O)N2CCC[C@H](C[NH+]3CCCC[C@@H]3C)C2)C1 ZINC000073206678 494337894 /nfs/dbraw/zinc/33/78/94/494337894.db2.gz LHLYEDDGIPZLGW-XUVXKRRUSA-N 2 0 364.578 3.014 20 0 FGADRP C[C@H](CC(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)C)[C@H]1CCC[NH2+]C1 ZINC000577369886 505715091 /nfs/dbraw/zinc/71/50/91/505715091.db2.gz OQOAZLFSLJBSPW-UWWQBHOKSA-N 2 0 351.922 3.085 20 0 FGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000078800001 494363798 /nfs/dbraw/zinc/36/37/98/494363798.db2.gz FTUCGDYOBGZRMH-IBGZPJMESA-N 2 0 361.555 3.437 20 0 FGADRP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000073415617 494368730 /nfs/dbraw/zinc/36/87/30/494368730.db2.gz XIUARTCRGLFKJX-SFTDATJTSA-N 2 0 372.557 3.339 20 0 FGADRP CC(C)[N@@H+](C)C[C@H](C)NC(=O)NC[C@H]1CCCC[NH+](Cc2ccccc2)C1 ZINC000571371567 505716455 /nfs/dbraw/zinc/71/64/55/505716455.db2.gz QRIUKMBNENLVJD-PZJWPPBQSA-N 2 0 374.573 3.317 20 0 FGADRP O=C(C[N@@H+]1CCCC[C@H]1CCc1ccccc1)NC1CC[NH+](C2CC2)CC1 ZINC000090010414 494428151 /nfs/dbraw/zinc/42/81/51/494428151.db2.gz LGURPENOALJBOO-NRFANRHFSA-N 2 0 369.553 3.217 20 0 FGADRP C[C@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)c1ccc2c(c1)CCC2 ZINC000090038597 494431434 /nfs/dbraw/zinc/43/14/34/494431434.db2.gz ZUJAVMWRIIQMFY-KRWDZBQOSA-N 2 0 365.521 3.318 20 0 FGADRP Cc1ccc(C)c([C@H](C)[NH2+]Cc2ccc(C(=O)NCC[NH+](C)C)cc2)c1 ZINC000090038675 494431677 /nfs/dbraw/zinc/43/16/77/494431677.db2.gz UWCSBQNVIPCXGD-SFHVURJKSA-N 2 0 353.510 3.446 20 0 FGADRP CC[NH+](CC)Cc1cccc(C[NH2+][C@@H](C)C(=O)NCc2ccc(F)cc2)c1 ZINC000079307395 494434002 /nfs/dbraw/zinc/43/40/02/494434002.db2.gz MMQHIWKWXDWQBD-KRWDZBQOSA-N 2 0 371.500 3.462 20 0 FGADRP CC[NH+](CC)CCCNC(=O)C1CC[NH+](C[C@H]2C[C@@H]2c2ccccc2)CC1 ZINC000568564606 505723010 /nfs/dbraw/zinc/72/30/10/505723010.db2.gz DBBGLPVEBBEBKE-FGZHOGPDSA-N 2 0 371.569 3.350 20 0 FGADRP CCC[NH+]1CCC(NC(=O)NC[C@@H](c2ccc(C)cc2)[NH+]2CCCC2)CC1 ZINC000073918820 494448408 /nfs/dbraw/zinc/44/84/08/494448408.db2.gz ZFSLASYMMGKAST-NRFANRHFSA-N 2 0 372.557 3.306 20 0 FGADRP Cc1ccccc1C[NH+]1CCC(NC(=O)NCCCC[NH+]2CCCC2)CC1 ZINC000045757749 494457626 /nfs/dbraw/zinc/45/76/26/494457626.db2.gz RVVRFKUFXFNJKA-UHFFFAOYSA-N 2 0 372.557 3.135 20 0 FGADRP COc1ccc2c(c1)CCC[C@@H]2[NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000090523433 494478247 /nfs/dbraw/zinc/47/82/47/494478247.db2.gz HOWYUTZLGACZOK-FKBYEOEOSA-N 2 0 358.526 3.430 20 0 FGADRP CCc1nn(C)c(CC)c1C[NH2+][C@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000090846183 494500273 /nfs/dbraw/zinc/50/02/73/494500273.db2.gz NLOYZQUMFWQITI-MRXNPFEDSA-N 2 0 358.530 3.336 20 0 FGADRP C[C@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)c1ccc2c(c1)OCCCO2 ZINC000090936975 494504148 /nfs/dbraw/zinc/50/41/48/494504148.db2.gz JZOVQSRTMONVPP-INIZCTEOSA-N 2 0 371.481 3.034 20 0 FGADRP C[C@@H](CNC(=O)N1CCC[N@H+](Cc2ccccc2)CC1)[NH+]1CCCC[C@@H]1C ZINC000046338946 494517615 /nfs/dbraw/zinc/51/76/15/494517615.db2.gz IJSRQQBIDRMDOB-PMACEKPBSA-N 2 0 372.557 3.167 20 0 FGADRP C[NH+](C)CCC1CC[NH+](CCC(=O)NCc2ccccc2Cl)CC1 ZINC000056522147 494519734 /nfs/dbraw/zinc/51/97/34/494519734.db2.gz WYFIPKKRILXFTA-UHFFFAOYSA-N 2 0 351.922 3.010 20 0 FGADRP CCC[N@@H+]1CC[C@H](CNC(=O)N[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000079798321 494526976 /nfs/dbraw/zinc/52/69/76/494526976.db2.gz CJMSDOZIBBWUJZ-HMXCVIKNSA-N 2 0 372.557 3.071 20 0 FGADRP CCCC[N@H+](C)CC1CCN(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)CC1 ZINC000079796821 494527013 /nfs/dbraw/zinc/52/70/13/494527013.db2.gz SPXIOCDZGRQNEL-UHFFFAOYSA-N 2 0 366.594 3.449 20 0 FGADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NC[C@H](C)C[NH+]1CCCCC1 ZINC000067406927 494533942 /nfs/dbraw/zinc/53/39/42/494533942.db2.gz ZXESVQMMYXXFLL-IBGZPJMESA-N 2 0 374.573 3.402 20 0 FGADRP COc1ccc(C[NH2+]C[C@H]2CC[N@@H+](C(C)C)C2)cc1OCc1cccnc1 ZINC000067507194 494554273 /nfs/dbraw/zinc/55/42/73/494554273.db2.gz FRTOOTLXYBNTOC-LJQANCHMSA-N 2 0 369.509 3.489 20 0 FGADRP C[NH+](C)CCN(Cc1ccsc1)C(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000571416068 505728733 /nfs/dbraw/zinc/72/87/33/505728733.db2.gz GPXZIWHPOSOHMB-HXUWFJFHSA-N 2 0 371.550 3.160 20 0 FGADRP C[C@@H]([NH2+]Cc1ccc(OCC[NH+](C)C)cc1)c1nc2ccccc2n1C ZINC000091287592 494578350 /nfs/dbraw/zinc/57/83/50/494578350.db2.gz JUPPAQHHEKGGFS-MRXNPFEDSA-N 2 0 352.482 3.365 20 0 FGADRP C[C@H](NC(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1)C(C)(C)C[NH+](C)C ZINC000121070116 494579990 /nfs/dbraw/zinc/57/99/90/494579990.db2.gz YUUTYWKNBKHLOM-OALUTQOASA-N 2 0 366.594 3.116 20 0 FGADRP C[C@H](C[NH2+][C@@H](c1cccc(C(F)(F)F)c1)C1CC1)N1CC[NH+](C)CC1 ZINC000091333419 494584410 /nfs/dbraw/zinc/58/44/10/494584410.db2.gz NYCUPTLKMYRVRB-RDTXWAMCSA-N 2 0 355.448 3.382 20 0 FGADRP C[C@H](CNC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)C[NH+]1CCCC1 ZINC000080095246 494592071 /nfs/dbraw/zinc/59/20/71/494592071.db2.gz MAOMGJMXDRQQDL-SBHAEUEKSA-N 2 0 372.557 3.071 20 0 FGADRP CN(C(=O)NCCC1CC[NH+](C)CC1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000074875285 494635659 /nfs/dbraw/zinc/63/56/59/494635659.db2.gz VZGLJTBHHLXYJN-NRFANRHFSA-N 2 0 372.557 3.024 20 0 FGADRP Fc1ccc(OCC[NH+]2CCC(OCC[NH+]3CCCC3)CC2)c(Cl)c1 ZINC000091675142 494643093 /nfs/dbraw/zinc/64/30/93/494643093.db2.gz BWWSICICQWWIFY-UHFFFAOYSA-N 2 0 370.896 3.435 20 0 FGADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1ccc(C(F)(F)F)cc1 ZINC000057157254 494659393 /nfs/dbraw/zinc/65/93/93/494659393.db2.gz KXJYJGCQMXSJDY-UHFFFAOYSA-N 2 0 359.436 3.051 20 0 FGADRP C[NH+](C)[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1)c1ccc(F)cc1 ZINC000057177563 494669451 /nfs/dbraw/zinc/66/94/51/494669451.db2.gz OFLACAWGSNWYRJ-SFTDATJTSA-N 2 0 369.484 3.209 20 0 FGADRP CC[NH+](CC)CCOc1ccccc1C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000121266679 494674492 /nfs/dbraw/zinc/67/44/92/494674492.db2.gz IKJZTFDFVYPRCJ-TYPHKJRUSA-N 2 0 358.526 3.454 20 0 FGADRP COc1cccc(C[NH+]2CCC(C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)c1OC ZINC000092587324 494678413 /nfs/dbraw/zinc/67/84/13/494678413.db2.gz QBDCLMHJLXZJQI-IRXDYDNUSA-N 2 0 362.514 3.025 20 0 FGADRP CC(C)[C@@H](CNC(=O)N1CCC(CC[NH+](C)C)CC1)[NH+]1CCC(C)CC1 ZINC000126259211 494689064 /nfs/dbraw/zinc/68/90/64/494689064.db2.gz VRSSCZJJGINMNP-HXUWFJFHSA-N 2 0 366.594 3.116 20 0 FGADRP C[NH+](C)CCNC(=O)c1ccc(C[NH2+][C@@H]2CC[C@@H](c3ccccc3)C2)cc1 ZINC000131692607 494700486 /nfs/dbraw/zinc/70/04/86/494700486.db2.gz PQVLONWXRRMEPZ-FGZHOGPDSA-N 2 0 365.521 3.404 20 0 FGADRP CCC[NH+]1CCC(NC(=O)N(CC[NH+](C)C)CC2CCCCC2)CC1 ZINC000080457956 494708536 /nfs/dbraw/zinc/70/85/36/494708536.db2.gz BRRZTSPMSQEYOA-UHFFFAOYSA-N 2 0 352.567 3.014 20 0 FGADRP C[C@@H]([NH2+]CC1([NH3+])C2CC3CC(C2)CC1C3)c1ccc2c(c1)CCC(=O)N2 ZINC000568617997 505738033 /nfs/dbraw/zinc/73/80/33/505738033.db2.gz KRKKPLGMLQRYRA-MJJVIFNNSA-N 2 0 353.510 3.376 20 0 FGADRP Cc1ccc(C(=O)NCC[NH2+][C@H](C)c2cccc(OCC[NH+](C)C)c2)cc1 ZINC000131852229 494753906 /nfs/dbraw/zinc/75/39/06/494753906.db2.gz QMHCUMBZILFJMD-GOSISDBHSA-N 2 0 369.509 3.016 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)c1ccccc1OCC[NH+](C)C ZINC000068084672 494755310 /nfs/dbraw/zinc/75/53/10/494755310.db2.gz ZYUQFOVOKVVZBD-GOSISDBHSA-N 2 0 361.530 3.011 20 0 FGADRP CC(C)[NH+](CCNC(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1)C(C)C ZINC000047683011 494759060 /nfs/dbraw/zinc/75/90/60/494759060.db2.gz PLEBFIBKXZHPHU-GOSISDBHSA-N 2 0 364.534 3.225 20 0 FGADRP C[C@@H](C(=O)N1CCC(C)CC1)[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821109 494763357 /nfs/dbraw/zinc/76/33/57/494763357.db2.gz XXVCVDUQTPJZFF-IBGZPJMESA-N 2 0 372.557 3.267 20 0 FGADRP CC(C)N(C(=O)C[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1)C(C)C ZINC000092821632 494763769 /nfs/dbraw/zinc/76/37/69/494763769.db2.gz RYSRWVKIMSKWPD-UHFFFAOYSA-N 2 0 360.546 3.265 20 0 FGADRP CC[N@@H+]1CC[C@H](NC[C@@H]2CCC[NH+](C)[C@@H]2c2ccc(OC)cc2)[C@H](C)C1 ZINC000121559603 494803797 /nfs/dbraw/zinc/80/37/97/494803797.db2.gz MHIMCYVKNPKATC-QTPAZIJBSA-N 2 0 359.558 3.398 20 0 FGADRP Cc1cc(Cl)c2c(c1)[C@@H]([NH2+]C[C@@H](C)CN1CC[NH+](C)CC1)CCCO2 ZINC000126649303 494810679 /nfs/dbraw/zinc/81/06/79/494810679.db2.gz RPRHDTRUURWMJK-APWZRJJASA-N 2 0 365.949 3.335 20 0 FGADRP CC[N@H+](C)Cc1cccc(CNC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)c1 ZINC000116539891 494811131 /nfs/dbraw/zinc/81/11/31/494811131.db2.gz WVXVCALBWWFAID-LJQANCHMSA-N 2 0 362.562 3.304 20 0 FGADRP COc1cc([C@H](C)[NH2+]C[C@H](C)C[NH+]2CCCCC2)cc(OC)c1OC ZINC000121588262 494812195 /nfs/dbraw/zinc/81/21/95/494812195.db2.gz VZADVIQGYLGSKJ-HOTGVXAUSA-N 2 0 350.503 3.485 20 0 FGADRP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)NCCC2CC[NH+](C)CC2)CC1 ZINC000116545043 494812585 /nfs/dbraw/zinc/81/25/85/494812585.db2.gz ZXFRIEGAXUNFSD-GOSISDBHSA-N 2 0 372.557 3.243 20 0 FGADRP COc1ccccc1NC(=O)CN1CCC(CCC[NH+]2CCCC2)CC1 ZINC000121603859 494817309 /nfs/dbraw/zinc/81/73/09/494817309.db2.gz SFECIBHGQIVSQO-UHFFFAOYSA-N 2 0 359.514 3.222 20 0 FGADRP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)NCCCCC[NH+]2CCCCC2)C1 ZINC000126739862 494828960 /nfs/dbraw/zinc/82/89/60/494828960.db2.gz NDEGWOIKIFQFRV-FQEVSTJZSA-N 2 0 366.594 3.310 20 0 FGADRP CC[NH+]1CCN(CCCC[NH2+][C@H](C)c2nc3c(s2)CCCC3)CC1 ZINC000093397604 494885540 /nfs/dbraw/zinc/88/55/40/494885540.db2.gz PKWYDDVXAPQSTB-MRXNPFEDSA-N 2 0 350.576 3.090 20 0 FGADRP CC(C)[C@@H](C[NH2+][C@H](C)c1ccc(F)cc1OC(F)F)N1CC[NH+](C)CC1 ZINC000132554517 494891551 /nfs/dbraw/zinc/89/15/51/494891551.db2.gz XKXFFHDNNJOCOL-RHSMWYFYSA-N 2 0 373.463 3.350 20 0 FGADRP CCC[NH+]1CCN(c2ccccc2CN2CC[C@H](C[NH+]3CCCC3)C2)CC1 ZINC000093597542 494902600 /nfs/dbraw/zinc/90/26/00/494902600.db2.gz AWNPIODQHYPQKV-OAQYLSRUSA-N 2 0 370.585 3.136 20 0 FGADRP c1nn(Cc2ccccc2)cc1C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000132641643 494903475 /nfs/dbraw/zinc/90/34/75/494903475.db2.gz OTPQINQWNZYESL-UHFFFAOYSA-N 2 0 368.525 3.008 20 0 FGADRP CN(c1ccccc1C[NH2+]C[C@H](O)c1ccccc1)C1CC[NH+](C)CC1 ZINC000132716263 494913703 /nfs/dbraw/zinc/91/37/03/494913703.db2.gz ZZOADVNPPYUSQN-QFIPXVFZSA-N 2 0 353.510 3.040 20 0 FGADRP FC(F)COc1ccc(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)cc1 ZINC000093734961 494914468 /nfs/dbraw/zinc/91/44/68/494914468.db2.gz MKSUQFRTVQCGOT-UHFFFAOYSA-N 2 0 368.468 3.407 20 0 FGADRP COc1cccc(C[C@H]([NH2+]C[C@@H](C)N2CC[NH+](C)CC2)c2ccccc2)c1 ZINC000127414974 494941202 /nfs/dbraw/zinc/94/12/02/494941202.db2.gz QRDWHYJSYYLUAY-XXBNENTESA-N 2 0 367.537 3.205 20 0 FGADRP Cc1cc(Cl)cc2c1OCCC[C@H]2[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000122280354 494951300 /nfs/dbraw/zinc/95/13/00/494951300.db2.gz RIMCNOUHJJLUDJ-LJQANCHMSA-N 2 0 365.949 3.479 20 0 FGADRP Cc1cc(Cl)cc2c1OCCC[C@@H]2[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000122280160 494951529 /nfs/dbraw/zinc/95/15/29/494951529.db2.gz RIMCNOUHJJLUDJ-IBGZPJMESA-N 2 0 365.949 3.479 20 0 FGADRP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000580412979 505753774 /nfs/dbraw/zinc/75/37/74/505753774.db2.gz MHSJMDGDHGLWHN-RXVVDRJESA-N 2 0 372.557 3.474 20 0 FGADRP CC[C@H](CSc1ccc(Cl)cc1)[NH2+]C[C@@H](C)N1CC[NH+](C)CC1 ZINC000127769414 494994879 /nfs/dbraw/zinc/99/48/79/494994879.db2.gz PPEMZIBGIRJLFY-NVXWUHKLSA-N 2 0 355.979 3.436 20 0 FGADRP C[C@H](C(=O)N1CCC(C)CC1)[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000110914775 495021306 /nfs/dbraw/zinc/02/13/06/495021306.db2.gz FUJSCHYIPDRBHI-HXUWFJFHSA-N 2 0 371.569 3.477 20 0 FGADRP C[C@@H](CNC(=O)NCCCC[N@@H+]1CCCC[C@@H]1C)[NH+]1CCC[C@@H](C)C1 ZINC000097428255 495035498 /nfs/dbraw/zinc/03/54/98/495035498.db2.gz NTJSLGRUSCUKRW-QYZOEREBSA-N 2 0 352.567 3.061 20 0 FGADRP C[N@@H+]1CCCN(CCC[NH2+][C@@H]2CCCOc3c(Cl)cccc32)CC1 ZINC000128285377 495073417 /nfs/dbraw/zinc/07/34/17/495073417.db2.gz NEHHLNMJUMTGNH-GOSISDBHSA-N 2 0 351.922 3.171 20 0 FGADRP C[C@@H](C(=O)N1CCc2sccc2C1)[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123135113 495085475 /nfs/dbraw/zinc/08/54/75/495085475.db2.gz XXIQBPVSPRZTAE-INIZCTEOSA-N 2 0 363.571 3.075 20 0 FGADRP Cc1nc2ccccc2n1CCC(=O)N(CC[NH+](C)C)c1ccccc1 ZINC000134124931 495109226 /nfs/dbraw/zinc/10/92/26/495109226.db2.gz LPBYJNWAPDVFDY-UHFFFAOYSA-N 2 0 350.466 3.330 20 0 FGADRP CCN(Cc1ccccc1)C(=O)[C@@H](C)[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123311639 495112799 /nfs/dbraw/zinc/11/27/99/495112799.db2.gz AMFYMCDVZINUCG-LJQANCHMSA-N 2 0 359.558 3.477 20 0 FGADRP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCC([NH2+]C(C)C)CC2)C1 ZINC000111880934 495124793 /nfs/dbraw/zinc/12/47/93/495124793.db2.gz HCNPGNDHMMJHJC-KRWDZBQOSA-N 2 0 352.567 3.059 20 0 FGADRP C[C@H]([NH2+]CCCN1CCC[N@H+](C)CC1)c1cccc(OC(F)(F)F)c1 ZINC000128666286 495132534 /nfs/dbraw/zinc/13/25/34/495132534.db2.gz CATQTWCMKDDWDM-HNNXBMFYSA-N 2 0 359.436 3.263 20 0 FGADRP COCC[NH+]1CCC(N[C@@H]2CCc3c2c(Br)ccc3F)CC1 ZINC000134341184 495136581 /nfs/dbraw/zinc/13/65/81/495136581.db2.gz YKAOZFPROBOSBQ-MRXNPFEDSA-N 2 0 371.294 3.276 20 0 FGADRP CC[N@H+](C)Cc1cccc(CNC(=O)N(C)[C@@H]2CC[NH+](CC)C[C@H]2C)c1 ZINC000128779436 495148985 /nfs/dbraw/zinc/14/89/85/495148985.db2.gz FGQCDWAIPHPQOU-YLJYHZDGSA-N 2 0 360.546 3.010 20 0 FGADRP Cc1cc(C[NH2+]CCCN2CCC[N@@H+](C)CC2)ccc1Oc1cccnc1 ZINC000112373963 495182217 /nfs/dbraw/zinc/18/22/17/495182217.db2.gz HCWBSESVMFTRCI-UHFFFAOYSA-N 2 0 368.525 3.300 20 0 FGADRP Cc1ccc([C@@H](CNC(=O)C[C@H]([NH3+])c2ccccc2)[NH+]2CCCC2)cc1 ZINC000119580786 495194895 /nfs/dbraw/zinc/19/48/95/495194895.db2.gz OFTFNCWJJYMIAG-LEWJYISDSA-N 2 0 351.494 3.338 20 0 FGADRP CC[N@H+](Cc1ccc(C(=O)NC[C@@H]2CC[NH+](CC(C)C)C2)cc1)C1CC1 ZINC000119676974 495216107 /nfs/dbraw/zinc/21/61/07/495216107.db2.gz YOSYIFRNQMEKSC-IBGZPJMESA-N 2 0 357.542 3.379 20 0 FGADRP C[N@H+](CCC(=O)Nc1ccccc1Br)C[C@@H]1CCC[NH+](C)C1 ZINC000112657755 495218321 /nfs/dbraw/zinc/21/83/21/495218321.db2.gz ROBCIILNHGIMFU-CQSZACIVSA-N 2 0 368.319 3.051 20 0 FGADRP CC[N@H+](C)Cc1cccc(C[NH2+]C2CCN(C(=O)c3ccco3)CC2)c1 ZINC000124009230 495221023 /nfs/dbraw/zinc/22/10/23/495221023.db2.gz QDOCKSJCVSFZOY-UHFFFAOYSA-N 2 0 355.482 3.126 20 0 FGADRP C[N@@H+]1CCCN(CCC[NH2+]Cc2c(Cl)cccc2OC(F)F)CC1 ZINC000112710237 495227500 /nfs/dbraw/zinc/22/75/00/495227500.db2.gz GRVMOFBWIQWJJX-UHFFFAOYSA-N 2 0 361.864 3.059 20 0 FGADRP CN(CC[NH+]1CCCC1)C(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000112751018 495236696 /nfs/dbraw/zinc/23/66/96/495236696.db2.gz UZHJVEDTHAXFMF-UHFFFAOYSA-N 2 0 372.557 3.300 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N2CC[C@H](C[NH+](C)C)C2)cc1 ZINC000129457186 495248170 /nfs/dbraw/zinc/24/81/70/495248170.db2.gz JGEAGJZDMFYEKC-WIYYLYMNSA-N 2 0 372.557 3.154 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)N[C@@H]2CC[NH2+][C@@H](C)C2)C1 ZINC000574425947 505770261 /nfs/dbraw/zinc/77/02/61/505770261.db2.gz DFHYRRCDSGFMDF-TWFHAPMSSA-N 2 0 372.557 3.104 20 0 FGADRP Cc1cc2c(cc1C)[C@@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)CCCO2 ZINC000124452813 495289999 /nfs/dbraw/zinc/28/99/99/495289999.db2.gz GAMJLIHRQZCUAW-NRFANRHFSA-N 2 0 359.558 3.380 20 0 FGADRP O=C(C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)Nc1cccc(Oc2ccccc2)c1 ZINC000568765630 505772710 /nfs/dbraw/zinc/77/27/10/505772710.db2.gz OZSLDCMNZOGYIG-HDICACEKSA-N 2 0 365.477 3.349 20 0 FGADRP C[NH+](C)CC1CCC(NC(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000120068184 495300207 /nfs/dbraw/zinc/30/02/07/495300207.db2.gz GNRYTYQYVNVDHG-CBNMVNINSA-N 2 0 372.557 3.071 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NCC[C@@H](C)[NH+](C)Cc2ccccc2)[C@H](C)C1 ZINC000129835596 495302451 /nfs/dbraw/zinc/30/24/51/495302451.db2.gz JTRWKLKAUBCCDC-SBHAEUEKSA-N 2 0 374.573 3.269 20 0 FGADRP C[C@@H]([NH2+]C1(CNC(=O)NC[C@@H]2CCC[N@H+](C)C2)CCCC1)c1ccccc1 ZINC000113619658 495321926 /nfs/dbraw/zinc/32/19/26/495321926.db2.gz GAJQCNPKTIUNOO-MOPGFXCFSA-N 2 0 372.557 3.291 20 0 FGADRP Cc1ccc(S(=O)(=O)[C@H]2CCCC[C@@H]2[NH2+]CC2(C)CC[NH2+]CC2)cc1 ZINC000574442092 505774527 /nfs/dbraw/zinc/77/45/27/505774527.db2.gz UQCVJIHSRIAJAF-OALUTQOASA-N 2 0 364.555 3.059 20 0 FGADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000105091425 495336147 /nfs/dbraw/zinc/33/61/47/495336147.db2.gz BFZXANSFLVZJDI-OAQYLSRUSA-N 2 0 372.557 3.202 20 0 FGADRP CC[N@H+](CCC1CC[NH+](Cc2cccc(C(=O)OC)n2)CC1)CC(C)C ZINC000571626761 505777031 /nfs/dbraw/zinc/77/70/31/505777031.db2.gz CNQCNGJKGPEVCY-UHFFFAOYSA-N 2 0 361.530 3.448 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1)c1ccccc1 ZINC000136375847 495375659 /nfs/dbraw/zinc/37/56/59/495375659.db2.gz ASOILZCKVPQXTP-QHAWAJNXSA-N 2 0 372.557 3.195 20 0 FGADRP CCOc1ccc([C@@H]2CCC[N@@H+]2CC(=O)NC2CC[NH+](C(C)C)CC2)cc1 ZINC000114454021 495375850 /nfs/dbraw/zinc/37/58/50/495375850.db2.gz VNZMUKMKBKGAKD-NRFANRHFSA-N 2 0 373.541 3.211 20 0 FGADRP C[C@@H]1C[C@@H]([NH2+]Cc2cn(Cc3ccccc3)nc2-c2cccnc2)CC[NH2+]1 ZINC000571651428 505783503 /nfs/dbraw/zinc/78/35/03/505783503.db2.gz SZFBNRLRCPZJDN-UTKZUKDTSA-N 2 0 361.493 3.224 20 0 FGADRP CCC[NH+]1CCN(c2ccccc2CN(C)C2CC[NH+](CC)CC2)CC1 ZINC000125236699 495411095 /nfs/dbraw/zinc/41/10/95/495411095.db2.gz ALFKFVRKHALIMU-UHFFFAOYSA-N 2 0 358.574 3.135 20 0 FGADRP COc1ccc([C@@H](C)[NH2+]CCc2cn3ccccc3n2)cc1NC(C)=O ZINC000130653328 495424927 /nfs/dbraw/zinc/42/49/27/495424927.db2.gz JWEDAMKLPIPMOR-CQSZACIVSA-N 2 0 352.438 3.195 20 0 FGADRP COc1ccc([C@H](O)C[NH2+][C@@H](C)c2ccc(OCC[NH+](C)C)cc2)cc1 ZINC000125356246 495431454 /nfs/dbraw/zinc/43/14/54/495431454.db2.gz IRLDLSPOXAMQSL-HRAATJIYSA-N 2 0 358.482 3.020 20 0 FGADRP CC[N@@H+]1CCC[C@H](CNC(=O)NC2CCC([NH+]3CCC(C)CC3)CC2)C1 ZINC000125620052 495472893 /nfs/dbraw/zinc/47/28/93/495472893.db2.gz KPIPFJHJFHXLFJ-XEVCZEQESA-N 2 0 364.578 3.061 20 0 FGADRP CC[N@H+](C)Cc1cccc(CNC(=O)N2CCC([NH2+]C3CCCC3)CC2)c1 ZINC000131073748 495488265 /nfs/dbraw/zinc/48/82/65/495488265.db2.gz HSFQKJBRDMNOOH-UHFFFAOYSA-N 2 0 372.557 3.345 20 0 FGADRP C[C@H]([NH2+]Cc1ccc(F)c(C[NH+](C)C)c1)c1ccc(-n2cncn2)cc1 ZINC000120978272 495496579 /nfs/dbraw/zinc/49/65/79/495496579.db2.gz NTOPMBHEBXRXHU-HNNXBMFYSA-N 2 0 353.445 3.319 20 0 FGADRP CCC[NH+]1CCC(NC(=O)NC2CC[NH+](Cc3ccccc3C)CC2)CC1 ZINC000107329179 495525372 /nfs/dbraw/zinc/52/53/72/495525372.db2.gz KEGHJWZNHDPGSP-UHFFFAOYSA-N 2 0 372.557 3.133 20 0 FGADRP C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000580568706 505788546 /nfs/dbraw/zinc/78/85/46/505788546.db2.gz NYLOEDJPUIXBIA-NPDDRXJXSA-N 2 0 369.553 3.372 20 0 FGADRP Cc1nccn1-c1ccc([C@H](C)NC(=O)N(C)CCCn2ccnc2)cc1 ZINC000154269331 495562641 /nfs/dbraw/zinc/56/26/41/495562641.db2.gz CAEPWZAKGIQDCW-INIZCTEOSA-N 2 0 366.469 3.170 20 0 FGADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](O)COc2cccc(Cl)c2Cl)[C@H](C)C1 ZINC000154276971 495566307 /nfs/dbraw/zinc/56/63/07/495566307.db2.gz JGZRJZKZGWXTPN-IPYPFGDCSA-N 2 0 361.313 3.053 20 0 FGADRP CCC[NH+]1CCC(N(C)C(=O)NC[C@@H](C2CCCCC2)[NH+](C)C)CC1 ZINC000170739722 495585740 /nfs/dbraw/zinc/58/57/40/495585740.db2.gz CNHGXEARENLNTM-IBGZPJMESA-N 2 0 352.567 3.013 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)NC1CCC(C[NH+](C)C)CC1)c1ccco1 ZINC000158772200 495586341 /nfs/dbraw/zinc/58/63/41/495586341.db2.gz ATGTVCZOBCVQDW-DAWZGUTISA-N 2 0 364.534 3.082 20 0 FGADRP C[C@H]1C[C@@H](N(C)C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)CC[N@@H+]1C ZINC000173564661 495590070 /nfs/dbraw/zinc/59/00/70/495590070.db2.gz SDGYLWQRMLENRL-RXVVDRJESA-N 2 0 372.557 3.297 20 0 FGADRP C[N@@H+]1CC[C@@H](NCC2([NH+]3CCCC3)CCOCC2)C[C@@H]1c1ccccc1 ZINC000577775861 505791072 /nfs/dbraw/zinc/79/10/72/505791072.db2.gz XNTBBHNBSCYUPP-NHCUHLMSSA-N 2 0 357.542 3.057 20 0 FGADRP CCS(=O)(=O)C[C@H](C)[NH2+]Cc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000182534420 495602922 /nfs/dbraw/zinc/60/29/22/495602922.db2.gz VNSAYGRKLGAMBP-KRWDZBQOSA-N 2 0 366.571 3.364 20 0 FGADRP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)NC2CC[NH+](C3CCCCC3)CC2)C1 ZINC000176331429 495603847 /nfs/dbraw/zinc/60/38/47/495603847.db2.gz LFCPHSMIPQKJJD-SFHVURJKSA-N 2 0 364.578 3.203 20 0 FGADRP C[N@@H+]1CC[C@H](NC(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)[C@@H]1c1ccccc1 ZINC000179475028 495606344 /nfs/dbraw/zinc/60/63/44/495606344.db2.gz QXKCZTLTOSSMTP-ACRUOGEOSA-N 2 0 370.541 3.092 20 0 FGADRP C[N@@H+]1CC[C@H](NC(=O)NCCC[NH2+]C2CCCCC2)[C@@H]1c1ccccc1 ZINC000179483401 495609020 /nfs/dbraw/zinc/60/90/20/495609020.db2.gz DKMMZSRHXKSLRP-PMACEKPBSA-N 2 0 358.530 3.043 20 0 FGADRP CCN1CC[NH+](CCCC[NH2+][C@H](C)c2cc(OC)c(OC)cc2C)CC1 ZINC000154460408 495623005 /nfs/dbraw/zinc/62/30/05/495623005.db2.gz IZQRKVRXTZBKQV-GOSISDBHSA-N 2 0 363.546 3.081 20 0 FGADRP O=C(CC[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1)Nc1ccc(Cl)cc1F ZINC000150818420 495645203 /nfs/dbraw/zinc/64/52/03/495645203.db2.gz RSOIPLDDVJSZRJ-CQSZACIVSA-N 2 0 353.869 3.225 20 0 FGADRP COc1ccc(Cl)cc1NC(=O)CC[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150818344 495645289 /nfs/dbraw/zinc/64/52/89/495645289.db2.gz WCSQLALTYVAQOB-OAHLLOKOSA-N 2 0 365.905 3.095 20 0 FGADRP CC(C)Cc1ccc([C@@H](CNC(=O)C23CCC[NH+]2CCC3)[NH+](C)C)cc1 ZINC000580606942 505795856 /nfs/dbraw/zinc/79/58/56/505795856.db2.gz AGFNRVIHTYRQEV-HXUWFJFHSA-N 2 0 357.542 3.232 20 0 FGADRP C[C@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)c1ccc2c(c1)CCC2 ZINC000159145284 495669789 /nfs/dbraw/zinc/66/97/89/495669789.db2.gz PLVWSNNAPDUYBA-KRWDZBQOSA-N 2 0 350.510 3.173 20 0 FGADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)NC2CC[NH+](C3CCCCC3)CC2)C1 ZINC000176495418 495672137 /nfs/dbraw/zinc/67/21/37/495672137.db2.gz PLKFNYZPNXOUDB-SFHVURJKSA-N 2 0 364.578 3.157 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)N1CC[C@H]([NH+]2CCCC2)C1)c1ccsc1 ZINC000171038116 495698707 /nfs/dbraw/zinc/69/87/07/495698707.db2.gz REBIIFBBOLAREY-ROUUACIJSA-N 2 0 364.559 3.011 20 0 FGADRP CC1CC[NH+](C[C@@H]2CCC[N@H+](CCC(=O)N3CCc4ccccc43)C2)CC1 ZINC000154712370 495704027 /nfs/dbraw/zinc/70/40/27/495704027.db2.gz ATXLFKSSWMHCQI-HXUWFJFHSA-N 2 0 369.553 3.410 20 0 FGADRP CCCCNC(=O)CC[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000159309931 495706433 /nfs/dbraw/zinc/70/64/33/495706433.db2.gz LPDNBCSUMMXNJL-RTWAWAEBSA-N 2 0 357.542 3.279 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccsc1 ZINC000173823440 495707612 /nfs/dbraw/zinc/70/76/12/495707612.db2.gz KGSCAEBYXFHCET-FGTMMUONSA-N 2 0 364.559 3.009 20 0 FGADRP CC[N@H+](C)C[C@H]1CCN(C[C@H](O)COc2cc(Cl)ccc2Cl)C1 ZINC000173902326 495738539 /nfs/dbraw/zinc/73/85/39/495738539.db2.gz NKLONAQDHHOQRK-HIFRSBDPSA-N 2 0 361.313 3.007 20 0 FGADRP CSc1ccc(OCC[NH+]2CCC(OCC[NH+]3CCCC3)CC2)cc1 ZINC000173950088 495760110 /nfs/dbraw/zinc/76/01/10/495760110.db2.gz XRZIYWQSNUHHRY-UHFFFAOYSA-N 2 0 364.555 3.364 20 0 FGADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1ccc(-c2c(F)cccc2F)o1 ZINC000185881612 495763186 /nfs/dbraw/zinc/76/31/86/495763186.db2.gz ZUVURKOJSNYTOL-HNNXBMFYSA-N 2 0 363.452 3.340 20 0 FGADRP CC(C)[N@H+](C)Cc1ccccc1C[NH2+][C@@H](Cc1ccc(Cl)cc1)C(N)=O ZINC000185891037 495768620 /nfs/dbraw/zinc/76/86/20/495768620.db2.gz DHDWLJRYOOXOPZ-FQEVSTJZSA-N 2 0 373.928 3.366 20 0 FGADRP CC(C)CN(C(=O)CN(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(C)C ZINC000173976839 495771746 /nfs/dbraw/zinc/77/17/46/495771746.db2.gz SVGODOGHZWBBOW-NRFANRHFSA-N 2 0 359.558 3.333 20 0 FGADRP Clc1cccc(-c2noc(CC[NH+]3CCC([C@H]4CCC[NH2+]4)CC3)n2)c1 ZINC000580634398 505802569 /nfs/dbraw/zinc/80/25/69/505802569.db2.gz GXOHEJFZNCQJQW-QGZVFWFLSA-N 2 0 360.889 3.397 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)C2CC[NH+](C)CC2)C1 ZINC000173992890 495780422 /nfs/dbraw/zinc/78/04/22/495780422.db2.gz SKUXDAXXBQITDH-HDICACEKSA-N 2 0 357.542 3.123 20 0 FGADRP Cc1ccc(NC(=O)C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)c(C)c1 ZINC000182980741 495783564 /nfs/dbraw/zinc/78/35/64/495783564.db2.gz MSGAPDDRWMGKRS-UHFFFAOYSA-N 2 0 373.541 3.066 20 0 FGADRP CCS(=O)(=O)C[C@@H](C)NCC1([NH2+][C@@H](C)c2ccccc2)CCCC1 ZINC000183001656 495792938 /nfs/dbraw/zinc/79/29/38/495792938.db2.gz JDENJDFXZFCWQM-SJORKVTESA-N 2 0 352.544 3.063 20 0 FGADRP CC[NH+]1CCN([C@H](C)C[NH2+]Cc2ccc(-c3ccccc3)cc2OC)CC1 ZINC000183045941 495812527 /nfs/dbraw/zinc/81/25/27/495812527.db2.gz WJQSEFRFHJKFTE-LJQANCHMSA-N 2 0 367.537 3.478 20 0 FGADRP Cc1cc(NCc2cccc(OCC[N@@H+](C)C3CCOCC3)c2)cc[nH+]1 ZINC000185998232 495814791 /nfs/dbraw/zinc/81/47/91/495814791.db2.gz HRHWNRFFBVCYLV-UHFFFAOYSA-N 2 0 355.482 3.492 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N1CC[C@@H](C[NH+]2CCCC2)C1)c1ccccc1 ZINC000174118104 495826249 /nfs/dbraw/zinc/82/62/49/495826249.db2.gz PSCVQANIELDCDU-PZJWPPBQSA-N 2 0 372.557 3.197 20 0 FGADRP CC[NH+](CC)C[C@H]1CCN([C@@H](C)C(=O)NCc2ccc(Cl)cc2)C1 ZINC000174208035 495864056 /nfs/dbraw/zinc/86/40/56/495864056.db2.gz PPSTZCFWAFRZAC-DOTOQJQBSA-N 2 0 351.922 3.008 20 0 FGADRP COc1ncccc1CC[NH2+][C@H]1CCN(Cc2ccccc2)C2(CC2)C1 ZINC000577869327 505808754 /nfs/dbraw/zinc/80/87/54/505808754.db2.gz FHCGNGYIXKDGGX-FQEVSTJZSA-N 2 0 351.494 3.420 20 0 FGADRP CC[NH+](CC)CCOc1ccc(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1 ZINC000174220454 495869664 /nfs/dbraw/zinc/86/96/64/495869664.db2.gz XADIJYFIQKHPQC-IHWFROFDSA-N 2 0 373.541 3.152 20 0 FGADRP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2CC([NH2+]CCCOC2CCOCC2)C3)cc1 ZINC000180147988 495880158 /nfs/dbraw/zinc/88/01/58/495880158.db2.gz IDURQBJBAYLDRS-SEJPIABJSA-N 2 0 358.526 3.357 20 0 FGADRP C[C@H]([NH2+]C(C)(C)CNC(=O)N1CC[C@@H](C[NH+]2CCCC2)C1)c1ccccc1 ZINC000174259535 495885551 /nfs/dbraw/zinc/88/55/51/495885551.db2.gz JIUCQECJQQAJDB-OALUTQOASA-N 2 0 372.557 3.243 20 0 FGADRP C[C@H]1C[NH+](CCC2CC[NH+](Cc3ccc4c[nH]nc4c3)CC2)C[C@H](C)O1 ZINC000180181095 495894604 /nfs/dbraw/zinc/89/46/04/495894604.db2.gz PTKDDLFYEDCGMK-IRXDYDNUSA-N 2 0 356.514 3.274 20 0 FGADRP C[C@@H]1C[NH+](CCC2CC[NH+](Cc3ccc4c[nH]nc4c3)CC2)C[C@@H](C)O1 ZINC000180181112 495895335 /nfs/dbraw/zinc/89/53/35/495895335.db2.gz PTKDDLFYEDCGMK-IAGOWNOFSA-N 2 0 356.514 3.274 20 0 FGADRP C[C@@H]1C[C@@H](N(C)C(=O)NC[C@@H](C2CC2)[NH+](C)Cc2ccccc2)CC[N@@H+]1C ZINC000186269967 495921518 /nfs/dbraw/zinc/92/15/18/495921518.db2.gz FGSITVSMPCCDDC-QMMLZNLJSA-N 2 0 372.557 3.021 20 0 FGADRP COc1ccccc1-c1ccc(C[NH2+]C[C@@H](C)CN2CC[NH+](C)CC2)cc1 ZINC000174349635 495922670 /nfs/dbraw/zinc/92/26/70/495922670.db2.gz ABGJUPPEMIMCJL-LJQANCHMSA-N 2 0 367.537 3.335 20 0 FGADRP CC(C)[NH2+]C1CCN(C(=O)NC[C@H](C2CC2)[N@H+](C)Cc2ccccc2)CC1 ZINC000186271418 495922793 /nfs/dbraw/zinc/92/27/93/495922793.db2.gz YQRZXDLKTCBQDI-OAQYLSRUSA-N 2 0 372.557 3.069 20 0 FGADRP COc1ccccc1-c1ccc(C[NH2+][C@@H](C)CN2CC[NH+](C)CC2)cc1 ZINC000174367853 495930199 /nfs/dbraw/zinc/93/01/99/495930199.db2.gz XTWVXZRPXMCBRQ-SFHVURJKSA-N 2 0 353.510 3.088 20 0 FGADRP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+](C2CC2)C2CCCC2)CC1 ZINC000171616658 495949480 /nfs/dbraw/zinc/94/94/80/495949480.db2.gz AKQRKHRIIVFHEL-UHFFFAOYSA-N 2 0 369.553 3.483 20 0 FGADRP O=C(N[C@@H](C[NH+]1CCCC1)c1ccccc1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000171622741 495952449 /nfs/dbraw/zinc/95/24/49/495952449.db2.gz YQJVSZSUZTXJKO-RTWAWAEBSA-N 2 0 370.541 3.093 20 0 FGADRP CC[NH+]1CCN(CCC[NH2+][C@H](C)c2ccc(Br)cc2)CC1 ZINC000177212685 495979346 /nfs/dbraw/zinc/97/93/46/495979346.db2.gz QYZSKMLKMZFPGT-OAHLLOKOSA-N 2 0 354.336 3.127 20 0 FGADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H]2CCCOc3ccc(Cl)cc32)CC1 ZINC000155571376 495999874 /nfs/dbraw/zinc/99/98/74/495999874.db2.gz ZKWBRZZSPDYBHR-YJBOKZPZSA-N 2 0 351.922 3.169 20 0 FGADRP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)CC3 ZINC000180452886 496002600 /nfs/dbraw/zinc/00/26/00/496002600.db2.gz DCOQHHCJHVAJDK-LJQANCHMSA-N 2 0 368.569 3.197 20 0 FGADRP CC(C)c1ccc([C@@H]([NH3+])CNC(=O)c2ccccc2OCC[NH+](C)C)cc1 ZINC000151962134 496005591 /nfs/dbraw/zinc/00/55/91/496005591.db2.gz SESBVYPFEHLTJK-FQEVSTJZSA-N 2 0 369.509 3.180 20 0 FGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@@H](C)c2ccc(Br)cc2)CC1 ZINC000177294713 496009467 /nfs/dbraw/zinc/00/94/67/496009467.db2.gz SYWXWEIJANGPAZ-HOTGVXAUSA-N 2 0 368.363 3.373 20 0 FGADRP CC(C)[NH+]1CCC(NC(=O)N2CC[C@@H](C)[N@H+](Cc3ccccc3)CC2)CC1 ZINC000174689390 496063381 /nfs/dbraw/zinc/06/33/81/496063381.db2.gz HZDRXJXFATZMRL-LJQANCHMSA-N 2 0 372.557 3.165 20 0 FGADRP O=C(NC1CC[NH+](C2CCCC2)CC1)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000177456893 496068257 /nfs/dbraw/zinc/06/82/57/496068257.db2.gz ZTLLHTQDEPBTEE-NRFANRHFSA-N 2 0 355.526 3.174 20 0 FGADRP COc1cc([C@@H](C)[NH2+][C@H](C)CCN2CC[NH+](C)CC2)ccc1SC ZINC000186602850 496068609 /nfs/dbraw/zinc/06/86/09/496068609.db2.gz VGIREXLTGTVBHP-HZPDHXFCSA-N 2 0 351.560 3.094 20 0 FGADRP C[NH+](C)CCN(C(=O)NCc1ccccc1C[NH+]1CCCC1)C1CCCC1 ZINC000177468301 496073710 /nfs/dbraw/zinc/07/37/10/496073710.db2.gz PQLMESTZRCOWMG-UHFFFAOYSA-N 2 0 372.557 3.298 20 0 FGADRP CN(c1ccccc1C[NH2+]Cc1ccc(CO)c(F)c1)C1CC[NH+](C)CC1 ZINC000177565858 496114650 /nfs/dbraw/zinc/11/46/50/496114650.db2.gz VIRGPRHZKSOTJE-UHFFFAOYSA-N 2 0 371.500 3.138 20 0 FGADRP COc1cccc([C@@H](CNC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)[NH+](C)C)c1 ZINC000177600837 496128214 /nfs/dbraw/zinc/12/82/14/496128214.db2.gz NXBBCKOVGDMMPZ-GHTZIAJQSA-N 2 0 373.541 3.069 20 0 FGADRP C[C@H]([NH2+]C(C)(C)CNC(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1)c1ccccc1 ZINC000174890718 496151438 /nfs/dbraw/zinc/15/14/38/496151438.db2.gz CYEDSAQDAFPJQG-AOIWGVFYSA-N 2 0 360.546 3.240 20 0 FGADRP COc1ccc(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)c(OC)c1 ZINC000180798387 496151569 /nfs/dbraw/zinc/15/15/69/496151569.db2.gz KMLCJAQLOLUXOW-UHFFFAOYSA-N 2 0 362.514 3.028 20 0 FGADRP C[C@H](C(=O)N[C@@H](C)c1ccc(Cl)cc1)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000152458140 496158130 /nfs/dbraw/zinc/15/81/30/496158130.db2.gz KWYANZUMSFDNCL-ARFHVFGLSA-N 2 0 351.922 3.179 20 0 FGADRP C[NH+](C)Cc1cccc(C(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)c1 ZINC000156211942 496188140 /nfs/dbraw/zinc/18/81/40/496188140.db2.gz SYJYNTMBAWLZRW-HXUWFJFHSA-N 2 0 357.542 3.476 20 0 FGADRP C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1oc2ccccc2c1C[NH+](C)C ZINC000175010639 496205703 /nfs/dbraw/zinc/20/57/03/496205703.db2.gz UNPLYNKNDKULQO-INIZCTEOSA-N 2 0 357.498 3.489 20 0 FGADRP CCCOc1ccc([C@H](C)[NH2+]Cc2ccc(N3CC[NH+](C)CC3)nc2)cc1 ZINC000177828053 496213139 /nfs/dbraw/zinc/21/31/39/496213139.db2.gz KMBVGMJZEKHARL-SFHVURJKSA-N 2 0 368.525 3.473 20 0 FGADRP Cc1cc(C[NH2+]Cc2ccc(C(=O)NCC[NH+](C)C)cc2)ccc1Cl ZINC000180964181 496221953 /nfs/dbraw/zinc/22/19/53/496221953.db2.gz HTTAXMAHZMMBKE-UHFFFAOYSA-N 2 0 359.901 3.230 20 0 FGADRP Cc1ccccc1C1CC[NH+](CC(=O)NC2CC[NH+](C(C)C)CC2)CC1 ZINC000172248076 496227294 /nfs/dbraw/zinc/22/72/94/496227294.db2.gz IZYVGHRHVJJVLD-UHFFFAOYSA-N 2 0 357.542 3.163 20 0 FGADRP Cc1c2ccccc2oc1[C@H](C)[NH2+]C1CCN(CCN2CCOCC2)CC1 ZINC000152715129 496234340 /nfs/dbraw/zinc/23/43/40/496234340.db2.gz LTDIQOTXDRUIEH-SFHVURJKSA-N 2 0 371.525 3.188 20 0 FGADRP Cc1c2ccccc2oc1[C@@H](C)[NH2+]C1CCN(CCN2CCOCC2)CC1 ZINC000152715025 496235042 /nfs/dbraw/zinc/23/50/42/496235042.db2.gz LTDIQOTXDRUIEH-GOSISDBHSA-N 2 0 371.525 3.188 20 0 FGADRP CC[NH+](CC)[C@H]1CCN(C(=O)NC2CCC([NH+]3CCC(C)CC3)CC2)C1 ZINC000152722320 496236868 /nfs/dbraw/zinc/23/68/68/496236868.db2.gz VIXIQBWIYBFBTD-MHJFOBGBSA-N 2 0 364.578 3.155 20 0 FGADRP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000175197310 496288433 /nfs/dbraw/zinc/28/84/33/496288433.db2.gz NAOCGWJEUANHOO-HXUWFJFHSA-N 2 0 359.514 3.014 20 0 FGADRP C[C@@H]([NH2+]Cc1cccc(OCC[N@H+](C)C2CCOCC2)c1)c1ccncc1 ZINC000156594556 496288972 /nfs/dbraw/zinc/28/89/72/496288972.db2.gz YXFHDSYZTCXBNR-GOSISDBHSA-N 2 0 369.509 3.422 20 0 FGADRP C[NH+](C)C1(CNC(=O)NC[C@H]2CCCC[N@H+](Cc3ccccc3)C2)CCC1 ZINC000574685309 505831108 /nfs/dbraw/zinc/83/11/08/505831108.db2.gz XBODMCFBSUHGMQ-HXUWFJFHSA-N 2 0 372.557 3.072 20 0 FGADRP Cc1ccccc1NC(=O)C[C@H](C)[NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000178034365 496297820 /nfs/dbraw/zinc/29/78/20/496297820.db2.gz CELDILCCWVKBCH-IPMKNSEASA-N 2 0 361.530 3.191 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)[C@](C)([NH3+])c2ccccc2)CC1 ZINC000580776105 505836179 /nfs/dbraw/zinc/83/61/79/505836179.db2.gz MKWVOTCOIFPWKY-XMSQKQJNSA-N 2 0 357.542 3.364 20 0 FGADRP CC(C)CC[NH+]1CCC(CNC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)CC1 ZINC000175288673 496325466 /nfs/dbraw/zinc/32/54/66/496325466.db2.gz HZWUEIXZULCTFI-UHFFFAOYSA-N 2 0 366.594 3.353 20 0 FGADRP COc1cc(Br)ccc1CCC[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000184332181 496339286 /nfs/dbraw/zinc/33/92/86/496339286.db2.gz XXMGRLAQKGGINR-CZUORRHYSA-N 2 0 355.320 3.463 20 0 FGADRP C[C@@H](CNC(=O)N1CCC[N@@H+](C2CCCC2)CC1)[NH+](C)Cc1ccccc1 ZINC000172587794 496354429 /nfs/dbraw/zinc/35/44/29/496354429.db2.gz NCDIAZOSPHLZIW-IBGZPJMESA-N 2 0 372.557 3.167 20 0 FGADRP C[C@@H]([NH2+]CCCN1CC[NH+](C)CC1)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000162526668 496367699 /nfs/dbraw/zinc/36/76/99/496367699.db2.gz XXGGMSDVUVIXRV-CABCVRRESA-N 2 0 374.356 3.376 20 0 FGADRP CC[S@](=O)[C@H]1CCC[C@H]([NH2+][C@@H](C)c2ccc(OCC[NH+](C)C)cc2)C1 ZINC000162812821 496416738 /nfs/dbraw/zinc/41/67/38/496416738.db2.gz OOPWEFKEQGJZKG-CGOGLYEHSA-N 2 0 366.571 3.357 20 0 FGADRP Cc1ccccc1CN(C)C(=O)[C@@H](C)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157167600 496420199 /nfs/dbraw/zinc/42/01/99/496420199.db2.gz YSWSSRCNEJLGBJ-CTNGQTDRSA-N 2 0 357.542 3.292 20 0 FGADRP CCC[N@H+](CC)CCNC(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000175524131 496426077 /nfs/dbraw/zinc/42/60/77/496426077.db2.gz TUEFAWPTZULGGJ-GOSISDBHSA-N 2 0 360.546 3.243 20 0 FGADRP COc1ccc([C@H](C)[NH2+]CCCC[NH+]2C[C@@H](C)O[C@H](C)C2)c(OC)c1 ZINC000162873060 496426659 /nfs/dbraw/zinc/42/66/59/496426659.db2.gz OLRWETGAKULMEI-ZACQAIPSSA-N 2 0 350.503 3.244 20 0 FGADRP C[C@@H]([NH2+]C1CCN(CC(F)(F)F)CC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000178365060 496428642 /nfs/dbraw/zinc/42/86/42/496428642.db2.gz CBBRYIQDAVUWCQ-OAHLLOKOSA-N 2 0 373.463 3.304 20 0 FGADRP COc1ccc(NC(=O)CC[N@@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)cc1 ZINC000172809483 496441626 /nfs/dbraw/zinc/44/16/26/496441626.db2.gz LSWLVLWJOMHOFW-LJQANCHMSA-N 2 0 373.541 3.468 20 0 FGADRP COc1ccccc1[C@@H](O)C[NH2+][C@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000178445366 496458463 /nfs/dbraw/zinc/45/84/63/496458463.db2.gz BZUPFTJKTRQMBC-UZLBHIALSA-N 2 0 358.482 3.020 20 0 FGADRP C[C@H](CCNC(=O)N1CC[C@@H](C[NH+]2CCCC2)C1)[N@H+](C)Cc1ccccc1 ZINC000175632761 496473307 /nfs/dbraw/zinc/47/33/07/496473307.db2.gz QPMXMEOFRVVTHF-CTNGQTDRSA-N 2 0 372.557 3.024 20 0 FGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NCCC[NH+]2CCCC2)CC1 ZINC000181636552 496480311 /nfs/dbraw/zinc/48/03/11/496480311.db2.gz FKOGOLBOMUVDGL-GOSISDBHSA-N 2 0 362.537 3.104 20 0 FGADRP Cc1c(-c2cc(C[NH+]3CCC(CCC[NH+]4CCCC4)CC3)on2)cnn1C ZINC000184685650 496491937 /nfs/dbraw/zinc/49/19/37/496491937.db2.gz XMNGMIXNSJMIID-UHFFFAOYSA-N 2 0 371.529 3.472 20 0 FGADRP CC[N@@H+]1CC[C@@H](C[NH2+]C2CCN(Cc3c(F)cccc3Cl)CC2)C1 ZINC000163312051 496496623 /nfs/dbraw/zinc/49/66/23/496496623.db2.gz OGCZRAAFLSWRBJ-HNNXBMFYSA-N 2 0 353.913 3.375 20 0 FGADRP Cc1ccc2c(c1)[C@H]([NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1)CC2 ZINC000163532186 496527936 /nfs/dbraw/zinc/52/79/36/496527936.db2.gz KJKPXMCYCWBVPZ-HXUWFJFHSA-N 2 0 357.542 3.199 20 0 FGADRP c1cnn([C@@H]2CCC[NH+](CCCCC[N@@H+]3CCC[C@H](n4cccn4)C3)C2)c1 ZINC000157777422 496552283 /nfs/dbraw/zinc/55/22/83/496552283.db2.gz TUYVZAGECDRLKA-OYRHEFFESA-N 2 0 370.545 3.224 20 0 FGADRP C[C@@H]1CCC[N@H+](CCCC[NH2+][C@@H]2CCN(Cc3ccccn3)C[C@@H]2C)C1 ZINC000157950499 496593315 /nfs/dbraw/zinc/59/33/15/496593315.db2.gz QAUWMOKYRCNHDC-RZUBCFFCSA-N 2 0 358.574 3.394 20 0 FGADRP CC[NH+](CC)CCOc1ccc(NC(=O)C[C@@H](C)[C@H]2CCC[NH2+]C2)cc1 ZINC000164305116 496603276 /nfs/dbraw/zinc/60/32/76/496603276.db2.gz PEKDDUIKPCKEIO-MSOLQXFVSA-N 2 0 361.530 3.372 20 0 FGADRP Cc1ccc(C[C@H](CO)[NH2+][C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000571960597 505855271 /nfs/dbraw/zinc/85/52/71/505855271.db2.gz PAIKRGVLVOPWOC-UEVCKROQSA-N 2 0 352.522 3.399 20 0 FGADRP C[C@H]1CC[C@H](C)[NH+]1CCN1CC[NH+](CCCOCCc2ccccc2)CC1 ZINC000153924481 496625393 /nfs/dbraw/zinc/62/53/93/496625393.db2.gz VXAIEXKVCSAQIY-VXKWHMMOSA-N 2 0 373.585 3.126 20 0 FGADRP C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000158100051 496626644 /nfs/dbraw/zinc/62/66/44/496626644.db2.gz ZHIOMLWLAQWWCU-KGLIPLIRSA-N 2 0 368.319 3.098 20 0 FGADRP CC[NH+](CC)Cc1ccccc1C[NH2+][C@@H]1CCCN(CC(F)(F)F)C1=O ZINC000158129403 496634687 /nfs/dbraw/zinc/63/46/87/496634687.db2.gz XFCPVFULOQRNRO-QGZVFWFLSA-N 2 0 371.447 3.171 20 0 FGADRP COC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C1CCOCC1 ZINC000187995873 496644109 /nfs/dbraw/zinc/64/41/09/496644109.db2.gz WYTNWNZSGXKRGJ-KBRMVUAJSA-N 2 0 358.526 3.213 20 0 FGADRP C[C@@H](C[NH2+][C@@H](C)c1ccc(OCc2nccn2C)cc1)C[NH+]1CCCC1 ZINC000165287776 496654917 /nfs/dbraw/zinc/65/49/17/496654917.db2.gz WNXQLUMQMSAILT-ROUUACIJSA-N 2 0 356.514 3.382 20 0 FGADRP CC(C)[N@@H+](C)C[C@H](C)NC(=O)NCC[C@H]1C[C@H](C)[NH+](Cc2ccccc2)C1 ZINC000571967973 505857744 /nfs/dbraw/zinc/85/77/44/505857744.db2.gz QLDYKGDXKBDXKH-ZJOUEHCJSA-N 2 0 374.573 3.315 20 0 FGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@H](C)c2cccc(Br)c2)CC1 ZINC000173385365 496669068 /nfs/dbraw/zinc/66/90/68/496669068.db2.gz UBCQHQZEKPXXPJ-JKSUJKDBSA-N 2 0 368.363 3.373 20 0 FGADRP CN(C)CC[NH+]1CCC(C[NH2+][C@@H](C[C@@H]2CCOC2)c2ccccc2)CC1 ZINC000166500393 496687896 /nfs/dbraw/zinc/68/78/96/496687896.db2.gz FWETTZOYQDIWRA-UNMCSNQZSA-N 2 0 359.558 3.018 20 0 FGADRP CN(C(=O)[C@@H]1CCCCCC[C@H]1[NH3+])C1CC[NH+](Cc2ccccc2)CC1 ZINC000167669601 496705346 /nfs/dbraw/zinc/70/53/46/496705346.db2.gz GHOKALGSBKXGDT-NHCUHLMSSA-N 2 0 357.542 3.407 20 0 FGADRP CC(C)O[C@@H]1C[C@@H]([NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)C1(C)C ZINC000185220512 496707942 /nfs/dbraw/zinc/70/79/42/496707942.db2.gz IUSPGAIXYIYQAI-NHCUHLMSSA-N 2 0 360.542 3.325 20 0 FGADRP CS(=O)(=O)[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000182243644 496718794 /nfs/dbraw/zinc/71/87/94/496718794.db2.gz KUAWGWXVICBEBR-PMACEKPBSA-N 2 0 364.555 3.118 20 0 FGADRP O[C@H]1CC[N@H+](Cc2ccccc2C[NH2+][C@@H]2CSCCc3ccccc32)C1 ZINC000182262764 496722558 /nfs/dbraw/zinc/72/25/58/496722558.db2.gz XCLNYNYZRHUAKE-RBBKRZOGSA-N 2 0 368.546 3.373 20 0 FGADRP CC(C)[NH+](CCNC(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)C(C)C ZINC000182352363 496731086 /nfs/dbraw/zinc/73/10/86/496731086.db2.gz BNRDQUGKYKESNK-ZWKOTPCHSA-N 2 0 352.567 3.057 20 0 FGADRP O[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2ccc(OCC3CC3)cc2)CC1 ZINC000191357604 496736584 /nfs/dbraw/zinc/73/65/84/496736584.db2.gz YAJOTFGOHSRSRH-VXKWHMMOSA-N 2 0 358.526 3.333 20 0 FGADRP C[NH+](C)[C@@H]1CCC[N@H+](CCC(=O)Nc2cccc(Br)c2)CC1 ZINC000277335264 496739911 /nfs/dbraw/zinc/73/99/11/496739911.db2.gz VTPVDRPPDRLLDY-MRXNPFEDSA-N 2 0 368.319 3.194 20 0 FGADRP CC(C)N(C)c1ccc(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)cn1 ZINC000191470110 496773660 /nfs/dbraw/zinc/77/36/60/496773660.db2.gz LPAARBHPKSDPNK-UHFFFAOYSA-N 2 0 374.573 3.251 20 0 FGADRP C[C@H]([NH2+]Cc1cccc(C[NH+](C)C)c1)c1cccc(N2CCOCC2)c1 ZINC000268761613 496777691 /nfs/dbraw/zinc/77/76/91/496777691.db2.gz OBQSDAHBBVBDLS-SFHVURJKSA-N 2 0 353.510 3.436 20 0 FGADRP C[C@@H]([NH2+]Cc1cccc(C[NH+](C)C)c1)c1cccc(N2CCOCC2)c1 ZINC000268761612 496777702 /nfs/dbraw/zinc/77/77/02/496777702.db2.gz OBQSDAHBBVBDLS-GOSISDBHSA-N 2 0 353.510 3.436 20 0 FGADRP COc1ccc2c(c1)[C@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)CCS2 ZINC000191510512 496791663 /nfs/dbraw/zinc/79/16/63/496791663.db2.gz DGXGQOWQOSUYCD-LJQANCHMSA-N 2 0 363.571 3.095 20 0 FGADRP CC(C)n1cc([C@H](C)[NH2+]CCCN2CC[N@H+](C)C[C@H]2c2ccccc2)cn1 ZINC000247254935 496816814 /nfs/dbraw/zinc/81/68/14/496816814.db2.gz ZZJZGTAUJHMFDN-UGKGYDQZSA-N 2 0 369.557 3.493 20 0 FGADRP CC[NH+](CC)CCOc1ccc(C[NH2+][C@@H](C)c2cnn(C)c2)cc1OC ZINC000268898394 496818467 /nfs/dbraw/zinc/81/84/67/496818467.db2.gz WEUTXAAVEYGATK-INIZCTEOSA-N 2 0 360.502 3.000 20 0 FGADRP C[C@H]([NH2+]Cc1cccc(-n2cncn2)c1)c1cccc(OCC[NH+](C)C)c1 ZINC000268918150 496822989 /nfs/dbraw/zinc/82/29/89/496822989.db2.gz OKQWKLYNWHLASN-KRWDZBQOSA-N 2 0 365.481 3.059 20 0 FGADRP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000273526668 496830860 /nfs/dbraw/zinc/83/08/60/496830860.db2.gz ZTPCQSFFKACRCM-SFHVURJKSA-N 2 0 372.557 3.154 20 0 FGADRP CC[NH+]1CCC([NH2+]CCCOC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000269012615 496848810 /nfs/dbraw/zinc/84/88/10/496848810.db2.gz XQXVZMUCRFMHAQ-UHFFFAOYSA-N 3 0 359.558 3.132 20 0 FGADRP CC[N@H+](C)C[C@@H]1CC[NH+](C[C@H](O)CO[C@H](C)c2ccc(Cl)cc2)C1 ZINC000247399282 496850139 /nfs/dbraw/zinc/85/01/39/496850139.db2.gz WYBSBHFMISDPEV-GJYPPUQNSA-N 2 0 354.922 3.052 20 0 FGADRP CC[N@H+](C)C[C@@H]1CC[NH+](C[C@@H](O)CO[C@H](C)c2ccc(Cl)cc2)C1 ZINC000247399297 496850682 /nfs/dbraw/zinc/85/06/82/496850682.db2.gz WYBSBHFMISDPEV-JTDSTZFVSA-N 2 0 354.922 3.052 20 0 FGADRP Cc1ccc(S(=O)(=O)[C@H]2CCCC[C@@H]2[NH2+]CCCC[NH+](C)C)cc1 ZINC000273615836 496853910 /nfs/dbraw/zinc/85/39/10/496853910.db2.gz XJSUAHXKVNSTLW-OALUTQOASA-N 2 0 352.544 3.011 20 0 FGADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H](C)c1ccc(NC(=O)NC(C)C)cc1 ZINC000269076312 496865117 /nfs/dbraw/zinc/86/51/17/496865117.db2.gz NNAJPLIVFMNAIE-QFBILLFUSA-N 2 0 364.534 3.224 20 0 FGADRP OCC[NH+]1CCC(C[NH2+][C@H](Cc2ccccc2F)c2ccccc2)CC1 ZINC000191725850 496868913 /nfs/dbraw/zinc/86/89/13/496868913.db2.gz IWWCKWFBUZCHNP-JOCHJYFZSA-N 2 0 356.485 3.403 20 0 FGADRP C[NH+](C)Cc1ccc(C(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)cc1 ZINC000264312641 496869506 /nfs/dbraw/zinc/86/95/06/496869506.db2.gz NZXBNFKMWVSQLU-NRFANRHFSA-N 2 0 365.521 3.043 20 0 FGADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)C1 ZINC000574861689 505871576 /nfs/dbraw/zinc/87/15/76/505871576.db2.gz XDKCHOQXXDQDRX-YZGWKJHDSA-N 2 0 372.557 3.023 20 0 FGADRP O=C(c1ccc(C[NH+]2CCCC2)cc1)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000264432187 496899206 /nfs/dbraw/zinc/89/92/06/496899206.db2.gz LBCBUCNXZTXNSN-NRFANRHFSA-N 2 0 355.526 3.373 20 0 FGADRP FC(F)(F)c1ccc(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)nc1 ZINC000277890685 496923844 /nfs/dbraw/zinc/92/38/44/496923844.db2.gz ZUWGTBVVCNCXSP-UHFFFAOYSA-N 2 0 357.420 3.177 20 0 FGADRP CC[N@H+](Cc1ccc(C(=O)N2CC[C@H]3[C@@H](CCC[NH+]3C)C2)cc1)C(C)C ZINC000247974752 496935556 /nfs/dbraw/zinc/93/55/56/496935556.db2.gz HQJJSVLZTSHSCR-SFTDATJTSA-N 2 0 357.542 3.473 20 0 FGADRP C[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1)c1cccs1 ZINC000247988822 496940379 /nfs/dbraw/zinc/94/03/79/496940379.db2.gz JCYNVROJVUMJKU-MAUKXSAKSA-N 2 0 357.523 3.296 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2ccc([S@@](C)=O)cc2)[C@@H](C)C1 ZINC000248120103 496956418 /nfs/dbraw/zinc/95/64/18/496956418.db2.gz NGAIEBOSQKBQRO-PJJMUABWSA-N 2 0 366.571 3.212 20 0 FGADRP C[NH+](CCCCC[N@@H+](C)CCc1nccs1)CCc1nccs1 ZINC000269832913 497009621 /nfs/dbraw/zinc/00/96/21/497009621.db2.gz DNVIDEXKJHGOQJ-UHFFFAOYSA-N 2 0 352.573 3.419 20 0 FGADRP COc1ccc([C@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CC[C@@H](O)C2)c(OC)c1 ZINC000248447793 497014930 /nfs/dbraw/zinc/01/49/30/497014930.db2.gz NQPVUBGOHVCBTQ-QFBILLFUSA-N 2 0 370.493 3.121 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2ccc(NC(C)=O)cc2)[C@H](C)C1 ZINC000248454611 497017833 /nfs/dbraw/zinc/01/78/33/497017833.db2.gz RBTGVCJTVDZCBB-LZJOCLMNSA-N 2 0 361.530 3.433 20 0 FGADRP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)NCc2cn3ccccc3n2)C1 ZINC000265092346 497045537 /nfs/dbraw/zinc/04/55/37/497045537.db2.gz NATWBFYEUSQULC-ROUUACIJSA-N 2 0 369.513 3.130 20 0 FGADRP COC[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1ccc(Cl)cc1 ZINC000248655494 497073738 /nfs/dbraw/zinc/07/37/38/497073738.db2.gz BLOCTZJDGSQMTG-NHCUHLMSSA-N 2 0 374.912 3.384 20 0 FGADRP COC(=O)C1CCC([NH2+]Cc2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)CC1 ZINC000192438557 497114737 /nfs/dbraw/zinc/11/47/37/497114737.db2.gz RWGGICLSIKZNOQ-AGXSTUJCSA-N 2 0 374.525 3.117 20 0 FGADRP CCCn1c(C)nnc1CN[C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000248865995 497121409 /nfs/dbraw/zinc/12/14/09/497121409.db2.gz AYGWKNLGUKCEDW-LFUKPOHLSA-N 2 0 355.530 3.243 20 0 FGADRP C[C@@H](C(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1)[C@@H]([NH3+])c1ccccc1 ZINC000236625426 497122543 /nfs/dbraw/zinc/12/25/43/497122543.db2.gz UOYRAHYRBUROBF-SVFBPWRDSA-N 2 0 357.542 3.293 20 0 FGADRP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N(C)C[C@H]1CCC[NH+](C)C1 ZINC000249032242 497151622 /nfs/dbraw/zinc/15/16/22/497151622.db2.gz SPYLJGBCSHPXTL-SFTDATJTSA-N 2 0 374.573 3.126 20 0 FGADRP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C[C@@H](C)C1CC[NH2+]CC1 ZINC000236903587 497165896 /nfs/dbraw/zinc/16/58/96/497165896.db2.gz VRIZSFKEYWYDGX-CTNGQTDRSA-N 2 0 371.569 3.383 20 0 FGADRP CC[NH+]1CCN(c2ccc(NC(=O)C[C@H](C)C3CC[NH2+]CC3)c(C)c2)CC1 ZINC000237009650 497179928 /nfs/dbraw/zinc/17/99/28/497179928.db2.gz OHQBJAXALHPEHR-KRWDZBQOSA-N 2 0 372.557 3.101 20 0 FGADRP FC(F)(F)c1cccc(-c2noc(CN3CC[C@]4(C3)CCC[NH2+]C4)n2)c1 ZINC000581012413 505890497 /nfs/dbraw/zinc/89/04/97/505890497.db2.gz WLGJQKFSAKOVPX-QGZVFWFLSA-N 2 0 366.387 3.331 20 0 FGADRP C[C@@H]1CCC[NH+](CCCCNC(=O)NCCCC[N@H+]2CCC[C@@H](C)C2)C1 ZINC000249515419 497215325 /nfs/dbraw/zinc/21/53/25/497215325.db2.gz CKZFLWOMTBAQOB-WOJBJXKFSA-N 2 0 366.594 3.310 20 0 FGADRP C[NH+](C)CCNC(=O)c1cccc(C[NH2+][C@@H]2CCCNc3ccccc32)c1 ZINC000192810722 497220344 /nfs/dbraw/zinc/22/03/44/497220344.db2.gz HPOMKWZQOCBKDZ-OAQYLSRUSA-N 2 0 366.509 3.015 20 0 FGADRP C[NH+](C)CCNC(=O)c1cccc(C[NH2+]Cc2cc(F)cc(Cl)c2)c1 ZINC000275042578 497226688 /nfs/dbraw/zinc/22/66/88/497226688.db2.gz YSRAEHKWWOUGTD-UHFFFAOYSA-N 2 0 363.864 3.060 20 0 FGADRP CC[NH+](CC)CCOc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)cc1 ZINC000578228050 505892664 /nfs/dbraw/zinc/89/26/64/505892664.db2.gz GISBANHJXOPRQW-YPAWHYETSA-N 2 0 359.558 3.370 20 0 FGADRP C[C@@H]([NH2+]C1(CNC(=O)[C@H]2CC23CC[NH2+]CC3)CCCC1)c1ccccc1 ZINC000237413060 497232823 /nfs/dbraw/zinc/23/28/23/497232823.db2.gz FUJAPVIRUZETMW-IEBWSBKVSA-N 2 0 355.526 3.156 20 0 FGADRP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)C[C@@H]([NH3+])c2ccccc2)CC1 ZINC000237481321 497243261 /nfs/dbraw/zinc/24/32/61/497243261.db2.gz YTVALSUGNPLEQN-LAUBAEHRSA-N 2 0 351.494 3.418 20 0 FGADRP C[C@H](CC(=O)N(C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH2+]C1 ZINC000237503660 497248028 /nfs/dbraw/zinc/24/80/28/497248028.db2.gz QRTPNLOPWCHXCQ-HMXCVIKNSA-N 2 0 357.542 3.135 20 0 FGADRP Ic1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000249999310 497259325 /nfs/dbraw/zinc/25/93/25/497259325.db2.gz PGHBKWKTWZKLEP-GJZGRUSLSA-N 2 0 356.251 3.008 20 0 FGADRP C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)NC[C@]1(C)CCC[NH+]1Cc1ccccc1 ZINC000252007110 497294110 /nfs/dbraw/zinc/29/41/10/497294110.db2.gz XWVMPXZMLUZFNB-UZKOGDIHSA-N 2 0 372.557 3.023 20 0 FGADRP C[C@@H]([NH2+][C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)c1ccc2ccccc2c1 ZINC000574981437 505897868 /nfs/dbraw/zinc/89/78/68/505897868.db2.gz IGVLKCFBEQHIRT-QPJICYPMSA-N 2 0 351.494 3.137 20 0 FGADRP [NH3+]CC1(C(=O)NC[C@H](c2c(F)cccc2Cl)N2CCCC2)CCCC1 ZINC000238052920 497333809 /nfs/dbraw/zinc/33/38/09/497333809.db2.gz UFTLVNBPPCCQSQ-MRXNPFEDSA-N 2 0 367.896 3.251 20 0 FGADRP C[NH+](C)CCc1ccccc1NC(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000275618655 497383862 /nfs/dbraw/zinc/38/38/62/497383862.db2.gz JEHMGRCNVUYEJE-UHFFFAOYSA-N 2 0 358.530 3.273 20 0 FGADRP C[C@H](C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)[C@H]([NH3+])c1ccccc1 ZINC000261561288 497416181 /nfs/dbraw/zinc/41/61/81/497416181.db2.gz RLGVHIYXIWBGPU-WMQCIHAUSA-N 2 0 351.494 3.103 20 0 FGADRP O=C(CC[C@H]1CC[NH2+]C1)NCCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000261690376 497433564 /nfs/dbraw/zinc/43/35/64/497433564.db2.gz BZFRCCXQKPGPDJ-QFIPXVFZSA-N 2 0 371.569 3.227 20 0 FGADRP C[C@@]1(C[NH3+])CC[N@H+](CCC(=O)Nc2ccc(Oc3ccccc3)cc2)C1 ZINC000261702841 497436596 /nfs/dbraw/zinc/43/65/96/497436596.db2.gz LQUQOQBHQMJFBJ-NRFANRHFSA-N 2 0 353.466 3.478 20 0 FGADRP C[C@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)N1CC[C@@](C)(C[NH3+])C1 ZINC000261800299 497452856 /nfs/dbraw/zinc/45/28/56/497452856.db2.gz VUHZTQRVVTXACS-BMIGLBTASA-N 2 0 363.811 3.357 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)[C@H]1CC12CC[NH2+]CC2 ZINC000261893777 497469818 /nfs/dbraw/zinc/46/98/18/497469818.db2.gz CNSCVAMSUQNALV-YLJYHZDGSA-N 2 0 355.526 3.067 20 0 FGADRP C[N@H+]1CC=C(CNC(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)CC1 ZINC000271901257 497482331 /nfs/dbraw/zinc/48/23/31/497482331.db2.gz GTACKYDFXVVIEX-UHFFFAOYSA-N 2 0 356.514 3.098 20 0 FGADRP C[NH2+]CCC1CC[NH+]([C@@H](C)C(=O)Nc2ccc(OC(F)(F)F)cc2)CC1 ZINC000261985415 497487286 /nfs/dbraw/zinc/48/72/86/497487286.db2.gz JQGXRZGXCYANMZ-ZDUSSCGKSA-N 2 0 373.419 3.234 20 0 FGADRP CCN(C(=O)[C@@H]1CC12CC[NH2+]CC2)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000261987059 497487474 /nfs/dbraw/zinc/48/74/74/497487474.db2.gz XMFMUNOFAGGYKW-SXLOBPIMSA-N 2 0 355.526 3.060 20 0 FGADRP CC[N@H+](C)[C@@H](C(=O)NC[C@@H]1CC[NH+](Cc2ccccc2)C1)c1ccccc1 ZINC000193810563 497488587 /nfs/dbraw/zinc/48/85/87/497488587.db2.gz PKMFIHYYVIYGCJ-RBBKRZOGSA-N 2 0 365.521 3.318 20 0 FGADRP C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)[C@H]([NH3+])c3ccccc3)cc2)C1 ZINC000262088581 497505843 /nfs/dbraw/zinc/50/58/43/497505843.db2.gz CDXRCRYCTMQLJI-LAUBAEHRSA-N 2 0 351.494 3.235 20 0 FGADRP COC(=O)[C@H]1CC[C@@H]([NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000193887604 497511724 /nfs/dbraw/zinc/51/17/24/497511724.db2.gz GRZWYACZLACAFY-JRSUCEMESA-N 2 0 356.510 3.218 20 0 FGADRP OC[C@H]1CCC[N@@H+]1CCCC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC000245710049 497512031 /nfs/dbraw/zinc/51/20/31/497512031.db2.gz NAJSUWRUAOHWRS-BXXSPATCSA-N 3 0 371.569 3.009 20 0 FGADRP O=C(NCCC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C1CCC1 ZINC000245732114 497521137 /nfs/dbraw/zinc/52/11/37/497521137.db2.gz QHHRCKNQVITUSD-MZADTFQBSA-N 2 0 355.526 3.078 20 0 FGADRP CC(C)[C@@H](C[NH2+][C@H](C)c1cc(Br)cs1)N1CC[NH+](C)CC1 ZINC000193964326 497534395 /nfs/dbraw/zinc/53/43/95/497534395.db2.gz VBZRYPBZKNIIAE-UKRRQHHQSA-N 2 0 374.392 3.433 20 0 FGADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H](C)c2cc(Br)cs2)CC1 ZINC000193972758 497535787 /nfs/dbraw/zinc/53/57/87/497535787.db2.gz ZOFODQBOPOIJNI-OLZOCXBDSA-N 2 0 360.365 3.187 20 0 FGADRP C[C@H](CCc1ccc(C(F)(F)F)cc1)[NH2+]C[C@H](C)N1CC[NH+](C)CC1 ZINC000193981945 497539053 /nfs/dbraw/zinc/53/90/53/497539053.db2.gz QFLBWADUCSYPKR-CVEARBPZSA-N 2 0 357.464 3.252 20 0 FGADRP C[C@H]([NH2+]CCOCC(F)(F)C(F)F)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000276307502 497540379 /nfs/dbraw/zinc/54/03/79/497540379.db2.gz YCHANNRWTKALRP-GOEBONIOSA-N 2 0 362.411 3.404 20 0 FGADRP CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+] ZINC000262363077 497545534 /nfs/dbraw/zinc/54/55/34/497545534.db2.gz VVIVRWCRAQFIJI-SPQGHWSVSA-N 2 0 369.553 3.121 20 0 FGADRP C[C@H](CCNC(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21)[NH+](C)Cc1ccccc1 ZINC000245897919 497563584 /nfs/dbraw/zinc/56/35/84/497563584.db2.gz DGKWFCDUAWADFE-HLAWJBBLSA-N 2 0 372.557 3.023 20 0 FGADRP Cc1ccc([C@H]([NH3+])C(=O)NCc2nccn2CCCc2ccccc2)cc1 ZINC000262621164 497585526 /nfs/dbraw/zinc/58/55/26/497585526.db2.gz DYHICNJSCBCHGB-NRFANRHFSA-N 2 0 362.477 3.141 20 0 FGADRP C[C@@H]1C[C@@H]([NH2+]C[C@H](O)COc2ccc(-c3ccccc3)cc2)CC[N@@H+]1C ZINC000581126894 505916161 /nfs/dbraw/zinc/91/61/61/505916161.db2.gz FICFYIWAAPHXKR-QMMLZNLJSA-N 2 0 354.494 3.166 20 0 FGADRP CC[NH+](CC)CCOc1ccc(NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)cc1 ZINC000262630337 497587794 /nfs/dbraw/zinc/58/77/94/497587794.db2.gz FQOYZKVAHCACBI-DBVUQKKJSA-N 2 0 359.514 3.266 20 0 FGADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NCc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000569357223 505916480 /nfs/dbraw/zinc/91/64/80/505916480.db2.gz AGHHJERAPGQOKR-JWWGGVBKSA-N 2 0 357.542 3.169 20 0 FGADRP C[NH+](C)CCn1ccc2ccc(NC(=O)[C@@H]3C[C@@H]4CCCC[C@H]4[NH2+]3)cc21 ZINC000262659018 497593056 /nfs/dbraw/zinc/59/30/56/497593056.db2.gz FETJXDYJPVGTNA-UHOSZYNNSA-N 2 0 354.498 3.062 20 0 FGADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000578332569 505916856 /nfs/dbraw/zinc/91/68/56/505916856.db2.gz GVKWNLHPTWFECE-UHFFFAOYSA-N 2 0 352.482 3.452 20 0 FGADRP CCc1ccccc1[C@H]([NH3+])CNC(=O)N1CCC(C[N@H+](C)C(C)C)CC1 ZINC000578336054 505917649 /nfs/dbraw/zinc/91/76/49/505917649.db2.gz CMXOBIXTWAHMCJ-HXUWFJFHSA-N 2 0 360.546 3.011 20 0 FGADRP COc1cccc2cc([C@H](C)[NH2+]C[C@@H](C(C)C)N3CC[NH+](C)CC3)oc21 ZINC000194261661 497617213 /nfs/dbraw/zinc/61/72/13/497617213.db2.gz LTVSCVYMEWXKLM-WMZOPIPTSA-N 2 0 359.514 3.364 20 0 FGADRP [NH3+][C@H](CC(=O)N(Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2)c1ccccc1 ZINC000262966917 497667839 /nfs/dbraw/zinc/66/78/39/497667839.db2.gz REBSSZFJPNTBRJ-MOPGFXCFSA-N 2 0 369.534 3.309 20 0 FGADRP C[C@@H]1C[C@H](NC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)CC[N@@H+]1Cc1ccccc1 ZINC000246278399 497681085 /nfs/dbraw/zinc/68/10/85/497681085.db2.gz MHZNEGNRDOVNAB-JFHUYLGKSA-N 2 0 355.526 3.076 20 0 FGADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)NCCCC[NH+]2CCCC[C@H]2C)C1 ZINC000246293710 497686054 /nfs/dbraw/zinc/68/60/54/497686054.db2.gz IPCONCZSEQZOJB-WOJBJXKFSA-N 2 0 366.594 3.308 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)N(C)[C@H]1CC[N@H+](CC)C[C@@H]1C)CC(C)C ZINC000246344403 497702786 /nfs/dbraw/zinc/70/27/86/497702786.db2.gz FBRQQOLRBNCJPM-OTWHNJEPSA-N 2 0 354.583 3.115 20 0 FGADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)NCCCC[NH+]2C[C@@H](C)C[C@H](C)C2)C1 ZINC000246360430 497707059 /nfs/dbraw/zinc/70/70/59/497707059.db2.gz PUABNNMMRCUNLF-UFYCRDLUSA-N 2 0 366.594 3.118 20 0 FGADRP CCNC(=O)c1cccc(C[NH2+][C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000272704255 497707943 /nfs/dbraw/zinc/70/79/43/497707943.db2.gz ZVHVAFRUBWKGRW-XMSQKQJNSA-N 2 0 365.521 3.437 20 0 FGADRP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)CCC(=O)Nc3cccnc3)C2)s1 ZINC000572246643 505924552 /nfs/dbraw/zinc/92/45/52/505924552.db2.gz JEDJWUJWCRRLTM-KRWDZBQOSA-N 2 0 372.538 3.234 20 0 FGADRP COc1ccc2c(c1)[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1)CCC2 ZINC000272735368 497715257 /nfs/dbraw/zinc/71/52/57/497715257.db2.gz JQVDMSSUFPNJBS-NFBKMPQASA-N 2 0 366.505 3.429 20 0 FGADRP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH+]2Cc2ccccc2)C1 ZINC000246410220 497724192 /nfs/dbraw/zinc/72/41/92/497724192.db2.gz KWYAFTINXINSQT-LEWJYISDSA-N 2 0 357.542 3.135 20 0 FGADRP CC(=O)c1ccc(NC(=O)CCN2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000246423513 497729197 /nfs/dbraw/zinc/72/91/97/497729197.db2.gz CGIFGKQXOYPLJX-GHTZIAJQSA-N 2 0 369.509 3.167 20 0 FGADRP CC[C@H](C)[C@H](C)NC(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC000246433713 497733862 /nfs/dbraw/zinc/73/38/62/497733862.db2.gz INRCMYSZLJTVAM-ZULIPRJHSA-N 2 0 366.594 3.400 20 0 FGADRP COC1(C[NH2+]CC2CC[NH+](Cc3ccccc3Cl)CC2)CCOCC1 ZINC000277082605 497737035 /nfs/dbraw/zinc/73/70/35/497737035.db2.gz UIWNWOBSCJAIFK-UHFFFAOYSA-N 2 0 366.933 3.337 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NC2CC[NH+](C3CCCCC3)CC2)[C@@H](C)C1 ZINC000246452143 497738464 /nfs/dbraw/zinc/73/84/64/497738464.db2.gz OLZQDQUVJBZPPC-PXNSSMCTSA-N 2 0 364.578 3.155 20 0 FGADRP c1cnn(-c2ccc(CC[NH2+][C@H]3C[C@]4(CC[NH2+]C4)Oc4ccccc43)cc2)c1 ZINC000581185013 505928808 /nfs/dbraw/zinc/92/88/08/505928808.db2.gz AAPONBXAVOTAFA-GMAHTHKFSA-N 2 0 374.488 3.260 20 0 FGADRP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000246571393 497778147 /nfs/dbraw/zinc/77/81/47/497778147.db2.gz VAYAJJSSJCPREY-LVNQGSGBSA-N 2 0 369.553 3.180 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)Cc2nc(-c3ccc(F)c(F)c3)no2)[C@@H](C)C1 ZINC000246582221 497781580 /nfs/dbraw/zinc/78/15/80/497781580.db2.gz CHBCJLGSAIFRDX-LRDDRELGSA-N 2 0 350.413 3.177 20 0 FGADRP C[C@H](OC[C@H](O)C[N@@H+]1CCC[C@@H]([NH+](C)C)CC1)c1ccc(Cl)cc1 ZINC000277229248 497783480 /nfs/dbraw/zinc/78/34/80/497783480.db2.gz OPARCIWBONVAAF-KFKAGJAMSA-N 2 0 354.922 3.195 20 0 FGADRP C[C@H](O)C[C@H](C[NH2+][C@@H]1CCN(Cc2ccccn2)C[C@H]1C)c1ccccc1 ZINC000246878047 497818154 /nfs/dbraw/zinc/81/81/54/497818154.db2.gz DHAKSWXETVLBAN-MHXAIHSWSA-N 2 0 367.537 3.436 20 0 FGADRP Cc1ccc(NC(=[NH2+])NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cnn(C)c2)cc1C ZINC000364249542 497861097 /nfs/dbraw/zinc/86/10/97/497861097.db2.gz GXVWMNFUQFISMQ-LPHOPBHVSA-N 2 0 354.502 3.056 20 0 FGADRP C[C@H]1CC2(C[N@@H+]1CCc1nc(-c3ccc(Cl)cc3)no1)CC[NH2+]CC2 ZINC000578434689 505938804 /nfs/dbraw/zinc/93/88/04/505938804.db2.gz MGSZTIGWJPJIJO-AWEZNQCLSA-N 2 0 360.889 3.397 20 0 FGADRP CCc1cccc(NC(=[NH2+])NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cnn(C)c2)c1 ZINC000364268968 497871885 /nfs/dbraw/zinc/87/18/85/497871885.db2.gz XZVKXQABLVKFEW-LPHOPBHVSA-N 2 0 354.502 3.002 20 0 FGADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CC[C@@H](C)[C@@H](C(=O)OC(C)(C)C)C1 ZINC000569457042 505940276 /nfs/dbraw/zinc/94/02/76/505940276.db2.gz RCCLXPLQQXNYGP-BEFAXECRSA-N 2 0 370.497 3.375 20 0 FGADRP CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)C[C@@H]([NH3+])c1ccccc1 ZINC000578445465 505941419 /nfs/dbraw/zinc/94/14/19/505941419.db2.gz DKKNRRALQHLNGW-OAQYLSRUSA-N 2 0 366.509 3.237 20 0 FGADRP CC(C)[C@H](C[NH2+][C@H]1C[C@@H](Oc2ccccc2)C1(C)C)N1CC[NH+](C)CC1 ZINC000575204886 505941837 /nfs/dbraw/zinc/94/18/37/505941837.db2.gz UCQALCPAOISOIP-PCCBWWKXSA-N 2 0 359.558 3.094 20 0 FGADRP COc1ccc([C@H](C)[C@H](C)[NH2+]CCCC[N@@H+]2CCC[C@H]2CO)cc1OC ZINC000280771747 497892634 /nfs/dbraw/zinc/89/26/34/497892634.db2.gz FDZYGPUQLYIALU-AOIWGVFYSA-N 2 0 364.530 3.022 20 0 FGADRP CCC[NH+]1CCN(c2ccccc2C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)CC1 ZINC000572364197 505950610 /nfs/dbraw/zinc/95/06/10/505950610.db2.gz XSBRNJCXXUGVJZ-RTWAWAEBSA-N 3 0 370.585 3.040 20 0 FGADRP O[C@H](C[NH2+]C[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)Cc1ccccc1 ZINC000578500164 505955580 /nfs/dbraw/zinc/95/55/80/505955580.db2.gz OWLUARAZEXLYLO-GOTSBHOMSA-N 2 0 352.522 3.482 20 0 FGADRP CC[NH+]1CCC(CNC(=O)N2CC[N@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC000572387609 505956991 /nfs/dbraw/zinc/95/69/91/505956991.db2.gz JLNHKEYQUIATCQ-UHFFFAOYSA-N 2 0 372.557 3.024 20 0 FGADRP C[C@H]1C[C@@H](C(=O)NC[C@H]2CCCC[NH+](Cc3ccccc3)C2)CC[N@@H+]1C ZINC000292336308 497975589 /nfs/dbraw/zinc/97/55/89/497975589.db2.gz VKDVTSPKMSIZMD-TYPHKJRUSA-N 2 0 357.542 3.135 20 0 FGADRP C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+]C[C@H](C)CN1CC[NH+](C)CC1 ZINC000281088661 498016841 /nfs/dbraw/zinc/01/68/41/498016841.db2.gz AFHIMSJVTRWMEX-JKSUJKDBSA-N 2 0 357.464 3.110 20 0 FGADRP CC[NH+](CC)Cc1cccc(CNC(=O)NC2CC[NH+](C3CCC3)CC2)c1 ZINC000296423807 498037844 /nfs/dbraw/zinc/03/78/44/498037844.db2.gz RUOCURVRYVLVPF-UHFFFAOYSA-N 2 0 372.557 3.345 20 0 FGADRP O=C(NCc1ccc(C[NH+]2CCCC2)cc1)Nc1cccc2c1CC[NH2+]C2 ZINC000569574698 505968815 /nfs/dbraw/zinc/96/88/15/505968815.db2.gz JANHODVFRJQFQV-UHFFFAOYSA-N 2 0 364.493 3.250 20 0 FGADRP CN(CC(=O)N1CCC(Cc2ccccc2)CC1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285501801 498108897 /nfs/dbraw/zinc/10/88/97/498108897.db2.gz MUUJSUOXWTVNCL-CBQGHPETSA-N 2 0 369.553 3.025 20 0 FGADRP [NH3+]Cc1cc(NC(=O)c2cccn2C2CC[NH2+]CC2)cc(C(F)(F)F)c1 ZINC000364773274 498137279 /nfs/dbraw/zinc/13/72/79/498137279.db2.gz CWUJGBVZORCPJS-UHFFFAOYSA-N 2 0 366.387 3.142 20 0 FGADRP C[N@@H+]1CCC[C@@]2(CC[NH+](CCc3nc(-c4cccc(Cl)c4)no3)C2)C1 ZINC000292834968 498164535 /nfs/dbraw/zinc/16/45/35/498164535.db2.gz AVGXVYDTCHUVNF-LJQANCHMSA-N 2 0 360.889 3.350 20 0 FGADRP COc1cccc(NC(=O)[C@H](c2ccccc2)[NH+]2CCC([C@@H](C)[NH3+])CC2)c1 ZINC000578652617 505989959 /nfs/dbraw/zinc/98/99/59/505989959.db2.gz JOWIVMQLDPGVNE-IERDGZPVSA-N 2 0 367.493 3.434 20 0 FGADRP CSc1ccc([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)N3CC(=O)N(C)C)cc1 ZINC000285729094 498183456 /nfs/dbraw/zinc/18/34/56/498183456.db2.gz QSHBRRNXEZZXCS-CCNLRDMRSA-N 2 0 361.555 3.143 20 0 FGADRP COc1cc2c(cc1F)CC[C@@H]2[NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000281601296 498208914 /nfs/dbraw/zinc/20/89/14/498208914.db2.gz MGACJARNBYCAKU-SLFFLAALSA-N 2 0 362.489 3.179 20 0 FGADRP CN1CC[NH+](CC2CC[NH+](Cc3cccc(OC4CCCC4)c3)CC2)CC1 ZINC000578698696 505999802 /nfs/dbraw/zinc/99/98/02/505999802.db2.gz FIZZTZCFVXPDMT-UHFFFAOYSA-N 2 0 371.569 3.467 20 0 FGADRP C[C@@]1([NH3+])CCCC[C@H]1C(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000569720728 506001204 /nfs/dbraw/zinc/00/12/04/506001204.db2.gz ROJPUFHVKJCKOQ-RBBKRZOGSA-N 2 0 369.553 3.409 20 0 FGADRP COc1cc2c(cc1F)CC[C@@H]2[NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000281753448 498258238 /nfs/dbraw/zinc/25/82/38/498258238.db2.gz WAEKZFKSHXMFAI-RXVVDRJESA-N 2 0 370.468 3.178 20 0 FGADRP [NH3+]C[C@H](NC(=O)N1CC[C@@H]([NH+]2CCCCC2)C1)c1ccc2ccccc2c1 ZINC000578730484 506007375 /nfs/dbraw/zinc/00/73/75/506007375.db2.gz FYYIOPXUNPBXNG-RTWAWAEBSA-N 2 0 366.509 3.109 20 0 FGADRP FC(F)(F)CC[NH+]1CCC(Nc2cnn(CC[NH+]3CCCCC3)c2)CC1 ZINC000365037537 498267489 /nfs/dbraw/zinc/26/74/89/498267489.db2.gz AMEUMCYWQVHIDO-UHFFFAOYSA-N 2 0 373.467 3.198 20 0 FGADRP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@H]([NH3+])c1ccccc1C ZINC000572598892 506008347 /nfs/dbraw/zinc/00/83/47/506008347.db2.gz CUTFKTMDELJGBU-UNMCSNQZSA-N 2 0 365.521 3.365 20 0 FGADRP C[N@H+](Cc1cc(-c2ccc(F)cc2)no1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000360474073 498278991 /nfs/dbraw/zinc/27/89/91/498278991.db2.gz YAIJRHIVCZQTFL-LJQANCHMSA-N 2 0 372.488 3.081 20 0 FGADRP CC(=O)N1CC[C@@H]([NH2+]C[C@H]2CCC[N@@H+](CC(C)C)C2)c2ccccc2C1 ZINC000360661591 498293851 /nfs/dbraw/zinc/29/38/51/498293851.db2.gz LEGAHGDVHCFYAU-DENIHFKCSA-N 2 0 357.542 3.438 20 0 FGADRP CCn1ccnc1[C@H]1OCC[C@@H]1[NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000289799214 498298087 /nfs/dbraw/zinc/29/80/87/498298087.db2.gz SFKRKEFFPMAKGP-PBASOCQRSA-N 2 0 368.525 3.233 20 0 FGADRP O=C(Nc1cccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)c1)[C@H]1CCCO1 ZINC000575795125 506006232 /nfs/dbraw/zinc/00/62/32/506006232.db2.gz VVWHFEXVVOSUSX-PLACYPQZSA-N 2 0 371.525 3.205 20 0 FGADRP CCC(C)(C)CNC(=O)N(C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000365243169 498369280 /nfs/dbraw/zinc/36/92/80/498369280.db2.gz HKEUUXXVNSCBES-UHFFFAOYSA-N 2 0 366.594 3.260 20 0 FGADRP CCC[NH+]1CCC(C[NH2+]C[C@@H](O)COc2ccc3ccccc3c2)CC1 ZINC000581602594 506025881 /nfs/dbraw/zinc/02/58/81/506025881.db2.gz GYGJSWRIXHAQHI-OAQYLSRUSA-N 2 0 356.510 3.291 20 0 FGADRP CCN(C(=O)N[C@@H]1C[C@H](C)n2ccnc21)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000575889068 506027442 /nfs/dbraw/zinc/02/74/42/506027442.db2.gz FHWOKIPQGSUMHK-YTQUADARSA-N 2 0 367.497 3.195 20 0 FGADRP CCN(C(=O)N[C@@H]1C[C@@H](C)n2ccnc21)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000575889065 506027570 /nfs/dbraw/zinc/02/75/70/506027570.db2.gz FHWOKIPQGSUMHK-BHIYHBOVSA-N 2 0 367.497 3.195 20 0 FGADRP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](Cc2cccc(-c3cccnc3)c2)CC1 ZINC000572702456 506032471 /nfs/dbraw/zinc/03/24/71/506032471.db2.gz KLOGSJGROPHDTR-FGZHOGPDSA-N 2 0 351.494 3.467 20 0 FGADRP CN(CCc1cncn1C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000290131735 498435222 /nfs/dbraw/zinc/43/52/22/498435222.db2.gz VBJYVDSOXKHVJH-UHFFFAOYSA-N 2 0 374.794 3.205 20 0 FGADRP OC1CC[NH+](Cc2ccc(C[NH2+][C@@H]3CCCC34CCOCC4)cc2)CC1 ZINC000282244656 498436754 /nfs/dbraw/zinc/43/67/54/498436754.db2.gz QCRADLONSHWVBA-OAQYLSRUSA-N 2 0 358.526 3.082 20 0 FGADRP C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000286571455 498440399 /nfs/dbraw/zinc/44/03/99/498440399.db2.gz XOZPDEDULQAXJT-WIYYLYMNSA-N 2 0 370.541 3.051 20 0 FGADRP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+][C@H]1CCc2sc(Br)cc21 ZINC000293679525 498452088 /nfs/dbraw/zinc/45/20/88/498452088.db2.gz KGXLXRYYACBXMV-JSGCOSHPSA-N 2 0 373.360 3.324 20 0 FGADRP O=C(c1ccccc1CC1CC[NH2+]CC1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000572725631 506037575 /nfs/dbraw/zinc/03/75/75/506037575.db2.gz VYKQTJMYNUMJOQ-UHFFFAOYSA-N 2 0 369.553 3.319 20 0 FGADRP COC1(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)CCOCC1 ZINC000365472955 498484850 /nfs/dbraw/zinc/48/48/50/498484850.db2.gz MCSWQZWLBFSORQ-WCRBZPEASA-N 2 0 358.526 3.309 20 0 FGADRP C[C@H]([NH2+]C[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)C(C)(C)n1cncn1 ZINC000290294676 498499443 /nfs/dbraw/zinc/49/94/43/498499443.db2.gz YETYAZXASSMTRW-ICSRJNTNSA-N 2 0 355.530 3.294 20 0 FGADRP Cc1cc(C[NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)cc(C)c1O ZINC000290298487 498501122 /nfs/dbraw/zinc/50/11/22/498501122.db2.gz HPVPRJBPZJZAMH-UHFFFAOYSA-N 2 0 354.494 3.256 20 0 FGADRP C[C@H](CNC(=O)Nc1ccc2c(c1F)CC[NH2+]C2)[N@H+](C)Cc1ccccc1 ZINC000569910482 506045125 /nfs/dbraw/zinc/04/51/25/506045125.db2.gz LSWOYGSMWKPRFR-OAHLLOKOSA-N 2 0 370.472 3.113 20 0 FGADRP COc1cc(OC)cc(OCCC[NH2+]C2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000297598845 498507692 /nfs/dbraw/zinc/50/76/92/498507692.db2.gz JUUMFKZFZXGABI-UHFFFAOYSA-N 2 0 371.481 3.126 20 0 FGADRP C[C@H]([NH2+]Cc1ccncc1OCCC[NH+](C)C)c1ccccc1N(C)C ZINC000290338941 498514950 /nfs/dbraw/zinc/51/49/50/498514950.db2.gz PIZAYRQCTPIXRX-KRWDZBQOSA-N 2 0 356.514 3.329 20 0 FGADRP COCCC[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1ccc(F)cc1 ZINC000282448322 498516886 /nfs/dbraw/zinc/51/68/86/498516886.db2.gz UYFDDVOELLLRFR-YLJYHZDGSA-N 2 0 352.494 3.384 20 0 FGADRP C[C@H](NC(=O)C[NH+]1CCC2(C[C@H]2C[N@H+](C)C2CC2)CC1)c1cccs1 ZINC000362616875 498525394 /nfs/dbraw/zinc/52/53/94/498525394.db2.gz NONHRSZOJHKXAS-HOTGVXAUSA-N 2 0 361.555 3.122 20 0 FGADRP C[C@@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)[C@@H](C)c1nc2ccccc2s1 ZINC000282482407 498529556 /nfs/dbraw/zinc/52/95/56/498529556.db2.gz WXQXDOXALVWMPG-HZPDHXFCSA-N 2 0 360.571 3.404 20 0 FGADRP C[C@H](C[NH2+][C@H](C)c1ccc(Oc2ccccc2)cn1)CN1CC[NH+](C)CC1 ZINC000297741225 498554760 /nfs/dbraw/zinc/55/47/60/498554760.db2.gz NXSUETTWJGFRDY-RTBURBONSA-N 2 0 368.525 3.408 20 0 FGADRP COc1ccc(C[N@@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)c(OC(F)F)c1 ZINC000578939595 506055714 /nfs/dbraw/zinc/05/57/14/506055714.db2.gz GZHRHZGIOSBFMZ-OAHLLOKOSA-N 2 0 354.441 3.460 20 0 FGADRP CCn1c(CN(C)C2CC[NH+](C3CCOCC3)CC2)nc2c1cccc2F ZINC000362896812 498574398 /nfs/dbraw/zinc/57/43/98/498574398.db2.gz NPMKEYOHHNVVOC-UHFFFAOYSA-N 2 0 374.504 3.271 20 0 FGADRP Cn1cc([C@@H]([NH2+]C2CCN(c3cc[nH+]cc3)CC2)c2ccc(F)cc2)cn1 ZINC000297816718 498577478 /nfs/dbraw/zinc/57/74/78/498577478.db2.gz YPSGZHNKSLPNTO-NRFANRHFSA-N 2 0 365.456 3.302 20 0 FGADRP COc1cc(Br)c(CN(C)[C@@H]2CC[N@H+](C)C[C@H]2C)cc1OC ZINC000290540100 498590749 /nfs/dbraw/zinc/59/07/49/498590749.db2.gz REUHYBSYBZVDBR-IUODEOHRSA-N 2 0 371.319 3.238 20 0 FGADRP COC[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1cccc(Cl)c1 ZINC000290554621 498596078 /nfs/dbraw/zinc/59/60/78/498596078.db2.gz DGEUSWLXWVBKIC-SFTDATJTSA-N 2 0 374.912 3.384 20 0 FGADRP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NCCCC[NH+]1CCC(C)CC1 ZINC000302984598 498636469 /nfs/dbraw/zinc/63/64/69/498636469.db2.gz KGGCAMHHVLASAU-HSALFYBXSA-N 2 0 366.594 3.164 20 0 FGADRP Cc1ccc(C[NH+]2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)c(-c2ccnn2C)c1 ZINC000572851343 506067754 /nfs/dbraw/zinc/06/77/54/506067754.db2.gz KLEPEMSKYWFDNV-UNMCSNQZSA-N 2 0 368.525 3.114 20 0 FGADRP COC(=O)c1csc(-c2cccc(C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4C)c2)n1 ZINC000365807036 498649509 /nfs/dbraw/zinc/64/95/09/498649509.db2.gz RQHBTBMZEZVNPJ-ALOPSCKCSA-N 2 0 371.506 3.312 20 0 FGADRP COCCCOc1ccc(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000298055943 498651384 /nfs/dbraw/zinc/65/13/84/498651384.db2.gz JJYKBDAPXUPSGA-UHFFFAOYSA-N 2 0 355.482 3.256 20 0 FGADRP CC(C)[NH2+]CCCNC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000572857717 506069155 /nfs/dbraw/zinc/06/91/55/506069155.db2.gz ROTQSHMIRFKFOI-QUCCMNQESA-N 2 0 360.546 3.069 20 0 FGADRP C[C@@H](CNC(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1)[NH+](C)Cc1ccccc1 ZINC000303461127 498677163 /nfs/dbraw/zinc/67/71/63/498677163.db2.gz LPGZXOCCBITRLX-MOPGFXCFSA-N 2 0 374.573 3.317 20 0 FGADRP CCOc1ccc(OCC[N@H+](C)C2CC[NH+](C3CCOCC3)CC2)cc1 ZINC000363202861 498701736 /nfs/dbraw/zinc/70/17/36/498701736.db2.gz YVPRHHDRVUYNPG-UHFFFAOYSA-N 2 0 362.514 3.039 20 0 FGADRP C[NH+](C)Cc1ccccc1C(=O)NC[C@@H]1CC[N@H+](C)[C@H]1c1cccs1 ZINC000366001225 498726849 /nfs/dbraw/zinc/72/68/49/498726849.db2.gz NUFVMKNMCIRPCO-HNAYVOBHSA-N 2 0 357.523 3.233 20 0 FGADRP Cc1ccc(OC[C@H](O)C[NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c(C)c1 ZINC000312646345 498761381 /nfs/dbraw/zinc/76/13/81/498761381.db2.gz KELQXAPHWQXEOM-FCHUYYIVSA-N 2 0 368.521 3.155 20 0 FGADRP Cc1ccc(OC[C@@H](O)C[NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)c(C)c1 ZINC000312646356 498761680 /nfs/dbraw/zinc/76/16/80/498761680.db2.gz KELQXAPHWQXEOM-YADHBBJMSA-N 2 0 368.521 3.155 20 0 FGADRP CNC(=O)c1ccc(C[NH2+]C[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000312938479 498763029 /nfs/dbraw/zinc/76/30/29/498763029.db2.gz PCVPIXSGTWLFJP-NRFANRHFSA-N 2 0 365.521 3.438 20 0 FGADRP C[C@@H](CNC(=O)[C@H]1CCn2c(cnc2C2CCCCC2)C1)C[NH+]1CCCC1 ZINC000332826234 498804746 /nfs/dbraw/zinc/80/47/46/498804746.db2.gz KIIJAUQKLGPSMP-HKUYNNGSSA-N 2 0 372.557 3.341 20 0 FGADRP CC[NH+]1CCC(C[NH2+]C[C@@H](O)COc2cc(Cl)ccc2Cl)CC1 ZINC000321412764 498811802 /nfs/dbraw/zinc/81/18/02/498811802.db2.gz BMXDVMMVBXLVDM-OAHLLOKOSA-N 2 0 361.313 3.055 20 0 FGADRP C[C@@H](C[NH2+][C@@H](C)c1csc(-c2ccccc2F)n1)N1CC[NH+](C)CC1 ZINC000291156637 498820653 /nfs/dbraw/zinc/82/06/53/498820653.db2.gz ITJWRIGRPUKNCQ-GJZGRUSLSA-N 2 0 362.518 3.236 20 0 FGADRP COc1ncc(C[NH2+]C2CCN(CCC(F)(F)F)CC2)cc1Cl ZINC000294926154 498851230 /nfs/dbraw/zinc/85/12/30/498851230.db2.gz FZFLCNCHBDUSAL-UHFFFAOYSA-N 2 0 351.800 3.250 20 0 FGADRP C[C@H](C(=O)N1CCC(C[NH+]2CCC(C)CC2)CC1)[C@H]([NH3+])c1ccccc1 ZINC000366336204 498879429 /nfs/dbraw/zinc/87/94/29/498879429.db2.gz ZJPXAHZUMSVAKN-RXVVDRJESA-N 2 0 357.542 3.293 20 0 FGADRP O=C(NCCCCC[NH+]1CCCCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000570172897 506108044 /nfs/dbraw/zinc/10/80/44/506108044.db2.gz ANKBYRUZUMDVKE-NRFANRHFSA-N 2 0 357.542 3.281 20 0 FGADRP COC[C@@H]1CC[N@H+](Cc2cc(Cl)cc(C[NH+]3CC[C@H](COC)C3)c2)C1 ZINC000295115215 498914503 /nfs/dbraw/zinc/91/45/03/498914503.db2.gz VWBSNOGPCLPJOP-CALCHBBNSA-N 2 0 366.933 3.277 20 0 FGADRP CN1CCC([NH+]2CCC(CC[NH2+]Cc3cc(F)c(F)c(F)c3)CC2)CC1 ZINC000363660578 498928638 /nfs/dbraw/zinc/92/86/38/498928638.db2.gz FWOLPJIPWTYEOY-UHFFFAOYSA-N 2 0 369.475 3.390 20 0 FGADRP C[C@H](NC(=O)NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1)[C@@H]1CCC[NH2+]C1 ZINC000576253430 506113952 /nfs/dbraw/zinc/11/39/52/506113952.db2.gz GKBRBYHFSMPKNN-BBTUJRGHSA-N 2 0 372.557 3.248 20 0 FGADRP Fc1ccc([C@@H]2OCC[C@H]2[NH2+]C2CCN(c3cc[nH+]cc3)CC2)cc1F ZINC000291422622 498934311 /nfs/dbraw/zinc/93/43/11/498934311.db2.gz ICWXHUFJQAKCOL-UXHICEINSA-N 2 0 359.420 3.448 20 0 FGADRP CC(C)[C@@H]1OCCC[C@@H]1Nc1cc(N2CCC3(CCC[N@@H+]3C)CC2)ncn1 ZINC000333217463 498940999 /nfs/dbraw/zinc/94/09/99/498940999.db2.gz QXNIGIARTYATRN-PXNSSMCTSA-N 2 0 373.545 3.157 20 0 FGADRP C[C@H]1CCC[N@@H+]1C1CCN(C(=O)[C@H]2CCC[NH+]2Cc2ccccc2)CC1 ZINC000366507374 498957218 /nfs/dbraw/zinc/95/72/18/498957218.db2.gz APFUNKPAYDRSJE-GHTZIAJQSA-N 2 0 355.526 3.126 20 0 FGADRP C[C@H]1CC[N@H+](CCOc2ccc(NC(=O)c3ccccc3CC[NH3+])cc2)C1 ZINC000573103045 506120274 /nfs/dbraw/zinc/12/02/74/506120274.db2.gz RGASSJYETOXGFG-KRWDZBQOSA-N 2 0 367.493 3.161 20 0 FGADRP C(C[NH+]1CCCC2(CCC[N@@H+](CC[C@@H]3CCCO3)C2)C1)[C@@H]1CCCO1 ZINC000579217070 506121767 /nfs/dbraw/zinc/12/17/67/506121767.db2.gz ZQYJXZQOERKYKK-AHTKWCMKSA-N 2 0 350.547 3.303 20 0 FGADRP CC1CC[NH+](Cc2ccc(CNC(=O)C[C@@H]3CCCC[C@@H]3[NH3+])cc2)CC1 ZINC000573115973 506122000 /nfs/dbraw/zinc/12/20/00/506122000.db2.gz YOTRXQRVGXZDEQ-SFTDATJTSA-N 2 0 357.542 3.442 20 0 FGADRP C[C@@H]1[C@H](NC(=O)c2cccc(Cn3ccnc3)c2)CC[N@@H+]1Cc1ccccc1 ZINC000288265422 498980950 /nfs/dbraw/zinc/98/09/50/498980950.db2.gz PLQNPYWETWNEED-XMSQKQJNSA-N 2 0 374.488 3.324 20 0 FGADRP Cn1cc([C@@H]2[C@H](C[NH2+]Cc3ncc(C(C)(C)C)s3)CCCN2C)cn1 ZINC000363993215 499077992 /nfs/dbraw/zinc/07/79/92/499077992.db2.gz JVNDSPLNYVJNQN-KSSFIOAISA-N 2 0 361.559 3.347 20 0 FGADRP COCCN1CCC([NH2+]C2CCC([N@H+](C)Cc3ccccc3)CC2)CC1 ZINC000284299249 499085479 /nfs/dbraw/zinc/08/54/79/499085479.db2.gz YOERZFIJSQTAST-UHFFFAOYSA-N 2 0 359.558 3.130 20 0 FGADRP C[C@@H]([NH2+]Cc1ccnc(OC(F)F)c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000284309200 499086912 /nfs/dbraw/zinc/08/69/12/499086912.db2.gz JIHNEAKOTLQIIJ-CQSZACIVSA-N 2 0 365.424 3.474 20 0 FGADRP Nc1nc(CN2CCCC[C@@H]2[C@H]2CC[NH2+]C2)nc2sc3c(c21)CCCC3 ZINC000333850807 499087721 /nfs/dbraw/zinc/08/77/21/499087721.db2.gz NLJFKOCXFHXURQ-DZGCQCFKSA-N 2 0 371.554 3.116 20 0 FGADRP COCCC1(C[NH+]2CCC(C)(C[NH+]3CCN(C)CC3)CC2)CCCCC1 ZINC000364113458 499117735 /nfs/dbraw/zinc/11/77/35/499117735.db2.gz DUFJIHHIFDIWDG-UHFFFAOYSA-N 2 0 365.606 3.323 20 0 FGADRP c1cc(C[N@@H+]2CCC[C@@]23CCOC3)ccc1C[NH+]1CCC[C@@]12CCOC2 ZINC000366941234 499119922 /nfs/dbraw/zinc/11/99/22/499119922.db2.gz AMBQUGUGSBPGQG-VXKWHMMOSA-N 2 0 356.510 3.196 20 0 FGADRP C[C@H]1CCC[N@@H+]1C1CCN(C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)CC1 ZINC000367071756 499143719 /nfs/dbraw/zinc/14/37/19/499143719.db2.gz CLPDRQPWJHGOLU-NZQKXSOJSA-N 2 0 371.569 3.226 20 0 FGADRP O=C(CN1CCC([NH2+][C@@H]2CCc3cc(Cl)ccc32)CC1)N1CCCC1 ZINC000372779944 499174301 /nfs/dbraw/zinc/17/43/01/499174301.db2.gz IOFVBAUCJVLVBZ-LJQANCHMSA-N 2 0 361.917 3.004 20 0 FGADRP CCC[NH+]1CCC(N2CC[NH+](C[C@H]3CCC4(CCCCC4)O3)CC2)CC1 ZINC000372794287 499176352 /nfs/dbraw/zinc/17/63/52/499176352.db2.gz SXLMFOZUWZRWFE-OAQYLSRUSA-N 2 0 363.590 3.360 20 0 FGADRP COc1cc(C[N@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)cc(OC)c1O ZINC000367308966 499178140 /nfs/dbraw/zinc/17/81/40/499178140.db2.gz RWCXAWMZMKUVEA-UHFFFAOYSA-N 2 0 371.481 3.153 20 0 FGADRP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCC(n2cc(Br)cn2)CC1 ZINC000370488840 499225434 /nfs/dbraw/zinc/22/54/34/499225434.db2.gz UNAMMPRXEOYFBQ-HNNXBMFYSA-N 2 0 355.324 3.157 20 0 FGADRP C[C@@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccccc1Br ZINC000370625479 499236728 /nfs/dbraw/zinc/23/67/28/499236728.db2.gz YLNVFFIVDRCBSG-HUUCEWRRSA-N 2 0 366.347 3.268 20 0 FGADRP COc1cc([C@@H](C)[NH2+][C@H]2CCN(C3CC[NH+](C)CC3)C2)ccc1SC ZINC000370635256 499238042 /nfs/dbraw/zinc/23/80/42/499238042.db2.gz OOPXFIVQIJLXNA-WBVHZDCISA-N 2 0 363.571 3.236 20 0 FGADRP C[NH+]1CCC(N2CC[C@@H]([NH2+][C@@H]3CC4(CCC4)Oc4ccccc43)C2)CC1 ZINC000370636827 499238379 /nfs/dbraw/zinc/23/83/79/499238379.db2.gz SDTTZOUADGPKBP-YLJYHZDGSA-N 2 0 355.526 3.191 20 0 FGADRP CN(C)C(=O)[C@H](c1ccccc1)[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000367885828 499241850 /nfs/dbraw/zinc/24/18/50/499241850.db2.gz MWUHXZUMCIBYAM-NRFANRHFSA-N 2 0 366.509 3.059 20 0 FGADRP C[C@H]1C[N@H+](CCCN[C@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)CCCO1 ZINC000370730543 499249234 /nfs/dbraw/zinc/24/92/34/499249234.db2.gz OYRGDLAATPHQIK-SNJCGAMXSA-N 2 0 371.569 3.273 20 0 FGADRP CC[NH+]1CCN([C@@H]2CC[N@@H+]([C@@H]3CC(C)(C)Oc4cc(F)ccc43)C2)CC1 ZINC000368017191 499255206 /nfs/dbraw/zinc/25/52/06/499255206.db2.gz GZCSIYDDWDIEEJ-IEBWSBKVSA-N 2 0 361.505 3.140 20 0 FGADRP CC[NH+]1CCN([C@@H]2CC[N@@H+]([C@H]3CC(C)(C)Oc4cc(F)ccc43)C2)CC1 ZINC000368017192 499255264 /nfs/dbraw/zinc/25/52/64/499255264.db2.gz GZCSIYDDWDIEEJ-MJGOQNOKSA-N 2 0 361.505 3.140 20 0 FGADRP CCN1CCC[C@@H](C[N@H+](C)CC2(SC)CCC2)[C@@H]1c1cnn(C)c1 ZINC000368110218 499265264 /nfs/dbraw/zinc/26/52/64/499265264.db2.gz SEZTVXIAKBTDIY-FUHWJXTLSA-N 2 0 350.576 3.411 20 0 FGADRP COc1cc(C[NH+]2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)ccc1OC(C)C ZINC000576368679 506141555 /nfs/dbraw/zinc/14/15/55/506141555.db2.gz QMSBYEKYGJDBAK-GHTZIAJQSA-N 2 0 362.514 3.201 20 0 FGADRP CN(C(=O)CC[C@@H]1CC[NH2+]C1)C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000371157079 499294303 /nfs/dbraw/zinc/29/43/03/499294303.db2.gz YKIDZJYQQJHEMP-OKCRPCIYSA-N 2 0 355.526 3.030 20 0 FGADRP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]Cc1ccc2c(c1)COC(C)(C)O2 ZINC000368649619 499317279 /nfs/dbraw/zinc/31/72/79/499317279.db2.gz HCDAJYIUHZVXNU-UXPWSPDFSA-N 2 0 374.525 3.311 20 0 FGADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1cccc(-c2cccnc2)c1 ZINC000371468351 499330796 /nfs/dbraw/zinc/33/07/96/499330796.db2.gz APSGGKWMDFEZIF-VSKRKVRLSA-N 2 0 351.494 3.432 20 0 FGADRP C[C@H]([NH2+]C[C@H]1CC[N@H+](C)[C@H]1c1ccccc1)c1ccc(-n2cnnn2)cc1 ZINC000371514898 499336824 /nfs/dbraw/zinc/33/68/24/499336824.db2.gz QTEMSFAKMBODGT-SCWSEQNSSA-N 2 0 362.481 3.006 20 0 FGADRP Cc1ccc2c(C)cc(N3CCC[C@@H](C[NH+]4CCN(C)CC4)C3)nc2c1 ZINC000368831437 499337241 /nfs/dbraw/zinc/33/72/41/499337241.db2.gz AKTYFGZUPWPDTP-IBGZPJMESA-N 2 0 352.526 3.315 20 0 FGADRP CCCN1CC[NH+](C2CCN(Cc3coc(-c4cccs4)n3)CC2)CC1 ZINC000369156331 499371731 /nfs/dbraw/zinc/37/17/31/499371731.db2.gz OGCAAEQIDZFQGK-UHFFFAOYSA-N 2 0 374.554 3.395 20 0 FGADRP C[C@H]([NH2+][C@@H]1CCC12CCOCC2)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000369227254 499380136 /nfs/dbraw/zinc/38/01/36/499380136.db2.gz YOYTWKKZUVXKSA-OXJNMPFZSA-N 2 0 361.505 3.187 20 0 FGADRP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+]Cc1ccc(C[NH+]2CCCC2)cc1 ZINC000371985876 499387141 /nfs/dbraw/zinc/38/71/41/499387141.db2.gz WNRCFBJEIIKGFZ-WTIAFYNJSA-N 3 0 371.569 3.261 20 0 FGADRP CC[NH+](CC)CCOc1ccc(C(=O)N2CCCC23CC[NH+](C)CC3)cc1 ZINC000372434615 499434571 /nfs/dbraw/zinc/43/45/71/499434571.db2.gz DARGQWRXSVXWSH-UHFFFAOYSA-N 2 0 373.541 3.108 20 0 FGADRP Cc1ccc([C@@H]([NH3+])C(=O)NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000369711512 499438420 /nfs/dbraw/zinc/43/84/20/499438420.db2.gz CSYNLJAEDXOSAY-TZIWHRDSSA-N 2 0 351.494 3.023 20 0 FGADRP O=C1[C@H](NC2CC[NH+](C3CCCCC3)CC2)CCN1Cc1ccccc1 ZINC000369739819 499439707 /nfs/dbraw/zinc/43/97/07/499439707.db2.gz QKGOHRDAMUTGCM-OAQYLSRUSA-N 2 0 355.526 3.174 20 0 FGADRP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2Cc1ccn(-c2ccc(Cl)cc2)n1 ZINC000373344993 499464453 /nfs/dbraw/zinc/46/44/53/499464453.db2.gz DBNAUWCNEWXRJH-HSALFYBXSA-N 2 0 374.916 3.209 20 0 FGADRP CC(C)Cc1ncc(C[NH+]2CCC(C)(C[NH+]3CCN(C)CC3)CC2)s1 ZINC000375246010 499498959 /nfs/dbraw/zinc/49/89/59/499498959.db2.gz QXQYQXMOSKWFFJ-UHFFFAOYSA-N 2 0 364.603 3.191 20 0 FGADRP O[C@@H](C[NH2+]C[C@H]1CCCC[N@H+](Cc2ccccc2)C1)COc1ccccc1 ZINC000380852678 499543935 /nfs/dbraw/zinc/54/39/35/499543935.db2.gz CNDHNLOOIKWDFU-YADHBBJMSA-N 2 0 368.521 3.318 20 0 FGADRP C[C@H]([NH2+]C[C@@H](O)COc1ccc(F)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000383333880 499546638 /nfs/dbraw/zinc/54/66/38/499546638.db2.gz ZWZCVGYFYDKZCV-HFSMHLIXSA-N 2 0 372.484 3.066 20 0 FGADRP C[C@H](C[C@H]1CCCCC[NH2+]1)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000390688289 499555157 /nfs/dbraw/zinc/55/51/57/499555157.db2.gz ZMYNRXFVWIXVOL-CEMLEFRQSA-N 2 0 359.558 3.178 20 0 FGADRP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)CCN1C(=O)OC(C)(C)C ZINC000375838894 499560740 /nfs/dbraw/zinc/56/07/40/499560740.db2.gz KNUHOUVIZXLCOU-UYTYNIKBSA-N 2 0 351.535 3.237 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)[C@@H]([NH3+])CC1CCCCC1 ZINC000398058004 499566005 /nfs/dbraw/zinc/56/60/05/499566005.db2.gz LSIGCNMFHVKYLH-JRGCBEDISA-N 2 0 357.542 3.311 20 0 FGADRP C[C@@H]1[C@H](C)[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)CC[C@H]1CCC[NH2+]C1 ZINC000404307300 499570150 /nfs/dbraw/zinc/57/01/50/499570150.db2.gz CPOSYZNUBBZDAI-VNTMZGSJSA-N 2 0 357.542 3.276 20 0 FGADRP CCO[C@H]1C[C@H]([NH2+]CCC2CC[NH+](C3CCN(C)CC3)CC2)C12CCC2 ZINC000376168590 499588388 /nfs/dbraw/zinc/58/83/88/499588388.db2.gz XLQDJWUOHLCIFI-SFTDATJTSA-N 2 0 363.590 3.120 20 0 FGADRP CN1c2ccc(C[NH+]3CCC4(C[C@@H]4C[N@H+](C)C4CC4)CC3)cc2CCC1=O ZINC000376325932 499600718 /nfs/dbraw/zinc/60/07/18/499600718.db2.gz UEGJYPFTPJPVOW-LJQANCHMSA-N 2 0 367.537 3.292 20 0 FGADRP C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC000376605641 499622426 /nfs/dbraw/zinc/62/24/26/499622426.db2.gz GRUUITFJFXFKAW-ZWKKMZQASA-N 2 0 364.578 3.010 20 0 FGADRP Cc1ccc(NC2CC[NH+](CCCN3CC[NH+](C(C)C)CC3)CC2)cc1 ZINC000376649279 499626066 /nfs/dbraw/zinc/62/60/66/499626066.db2.gz RRHPVDWTOOOADM-UHFFFAOYSA-N 2 0 358.574 3.287 20 0 FGADRP c1ccc(CN2C[C@H]([NH2+]CCCOC3CCOCC3)C[C@H]2C2CC2)cc1 ZINC000376861513 499641800 /nfs/dbraw/zinc/64/18/00/499641800.db2.gz SYLJILWDBGGXDB-IRLDBZIGSA-N 2 0 358.526 3.215 20 0 FGADRP CN1c2ccc(C[NH2+]C[C@@H]3CC[N@H+](C)[C@@H]3c3ccccc3)cc2CCC1=O ZINC000376940842 499647965 /nfs/dbraw/zinc/64/79/65/499647965.db2.gz KTJBPQNJFVQYEZ-NZQKXSOJSA-N 2 0 363.505 3.378 20 0 FGADRP CC(C)[NH+]1CCN(C(=O)NCc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)CC1 ZINC000410348647 499656541 /nfs/dbraw/zinc/65/65/41/499656541.db2.gz ZMEGJZUKDRRKCC-IBGZPJMESA-N 2 0 372.557 3.297 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCc2nc3c(cccc3C)o2)[C@@H](C)C1 ZINC000410355893 499657320 /nfs/dbraw/zinc/65/73/20/499657320.db2.gz AGZHTSJZLAOOGU-ROUUACIJSA-N 2 0 359.514 3.405 20 0 FGADRP CC(C)[NH+]1CCN(CCC[N@H+](C)C2CCN(c3ccccc3)CC2)CC1 ZINC000377522369 499700068 /nfs/dbraw/zinc/70/00/68/499700068.db2.gz DKPCLCLOUMJRQN-UHFFFAOYSA-N 2 0 358.574 3.003 20 0 FGADRP CC[NH+]1CCC(NC(=O)C[NH2+][C@H](c2ccc(Cl)cc2)[C@@H]2C[C@@H]2C)CC1 ZINC000411476183 499745631 /nfs/dbraw/zinc/74/56/31/499745631.db2.gz GNBUVXYDGPGUSX-BOUXLOLZSA-N 2 0 363.933 3.227 20 0 FGADRP CCOC(=O)C[C@H]1C[C@H](OC)C[N@@H+]1Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411558927 499763131 /nfs/dbraw/zinc/76/31/31/499763131.db2.gz MQCOVKUEJSLFRX-RTWAWAEBSA-N 2 0 374.525 3.215 20 0 FGADRP CC(C)Cc1ccc([C@@H](C)[NH2+]CC2(N3CCOCC3)CC[NH+](C)CC2)cc1 ZINC000414183681 499766574 /nfs/dbraw/zinc/76/65/74/499766574.db2.gz FHSPRGQEJNGAPF-HXUWFJFHSA-N 2 0 373.585 3.332 20 0 FGADRP Cc1cc(C[NH2+]C[C@H](C(C)C)N2CC[NH+](C)CC2)ccc1C(F)(F)F ZINC000414266564 499772876 /nfs/dbraw/zinc/77/28/76/499772876.db2.gz IDDAAJXSGBHPCN-GOSISDBHSA-N 2 0 357.464 3.375 20 0 FGADRP OC[C@H](C[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12)c1ccc(F)cc1 ZINC000414294444 499775019 /nfs/dbraw/zinc/77/50/19/499775019.db2.gz QCGWPUPVBUZUGQ-IRMYBRCSSA-N 2 0 368.496 3.402 20 0 FGADRP OC1(C[NH2+]C2CCC(C(F)F)CC2)CC[NH+](Cc2ccccc2)CC1 ZINC000414297757 499775375 /nfs/dbraw/zinc/77/53/75/499775375.db2.gz GNRRNZWSHFXJHV-UHFFFAOYSA-N 2 0 352.469 3.427 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H]2CCN(c3ccc(F)cc3)C2)[C@H](C)C1 ZINC000414340314 499779403 /nfs/dbraw/zinc/77/94/03/499779403.db2.gz GVONVCFCXICUTL-LMNJBCLMSA-N 2 0 363.521 3.131 20 0 FGADRP C[C@H]1C[C@H](C[NH+]2CCN(C(=O)c3cc(Cl)cc(Cl)c3)CC2)CC[NH2+]1 ZINC000414737107 499825166 /nfs/dbraw/zinc/82/51/66/499825166.db2.gz NVWRWHNPBROQNJ-UONOGXRCSA-N 2 0 370.324 3.139 20 0 FGADRP COc1cc(CN(C)C2CC([NH3+])C2)cc(OC)c1OCc1ccccc1 ZINC000414776605 499829653 /nfs/dbraw/zinc/82/96/53/499829653.db2.gz NJZNKIJFPRAGDC-UHFFFAOYSA-N 2 0 356.466 3.204 20 0 FGADRP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1ccc(-c2ccc(C(F)(F)F)cc2)s1 ZINC000414779944 499830311 /nfs/dbraw/zinc/83/03/11/499830311.db2.gz GBQSOKZYHANDOL-SWLSCSKDSA-N 2 0 356.413 3.104 20 0 FGADRP C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000414798460 499832579 /nfs/dbraw/zinc/83/25/79/499832579.db2.gz JDUJQSDXVGOVNX-VKJFTORMSA-N 2 0 351.922 3.184 20 0 FGADRP COc1cc(C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])cc(Br)c1OC ZINC000414808180 499833181 /nfs/dbraw/zinc/83/31/81/499833181.db2.gz RXTVTPRKNJBJKR-GXTWGEPZSA-N 2 0 357.292 3.073 20 0 FGADRP C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000414812152 499833753 /nfs/dbraw/zinc/83/37/53/499833753.db2.gz WXUDFNZWSBOVSX-WWGRRREGSA-N 2 0 368.319 3.273 20 0 FGADRP CCC[NH+]1CCN(c2ccccc2C[NH2+]C[C@H](N)c2ccccc2)CC1 ZINC000414828873 499835006 /nfs/dbraw/zinc/83/50/06/499835006.db2.gz JRCQKLFYUHHBLL-NRFANRHFSA-N 2 0 352.526 3.008 20 0 FGADRP C[C@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)[NH2+]CC1([NH3+])CCCCC1 ZINC000414841035 499836548 /nfs/dbraw/zinc/83/65/48/499836548.db2.gz KWRDNCCRSSMYBZ-OAHLLOKOSA-N 2 0 372.513 3.003 20 0 FGADRP CC1(C[NH2+]C2CCN(Cc3c(F)cccc3Cl)CC2)CC[NH2+]CC1 ZINC000414896291 499842595 /nfs/dbraw/zinc/84/25/95/499842595.db2.gz BILYJTNFVVVFEN-UHFFFAOYSA-N 2 0 353.913 3.423 20 0 FGADRP C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]CC1(C)CC[NH2+]CC1 ZINC000414902582 499843344 /nfs/dbraw/zinc/84/33/44/499843344.db2.gz KUKJIHCLXDQBOH-CYBMUJFWSA-N 2 0 357.420 3.402 20 0 FGADRP CCc1nn(C)c(CC)c1CN[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000414936929 499846358 /nfs/dbraw/zinc/84/63/58/499846358.db2.gz BXAKWZGCFCBJDJ-AUUYWEPGSA-N 2 0 362.468 3.058 20 0 FGADRP Fc1ccc(CC[NH+]2CCC(NC[C@@H]3[NH2+]CCc4ccccc43)CC2)cc1 ZINC000414950698 499847966 /nfs/dbraw/zinc/84/79/66/499847966.db2.gz FUGBFLOZFJJYTI-QHCPKHFHSA-N 2 0 367.512 3.309 20 0 FGADRP C[C@H]1CCN(C(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)[C@@H](C[NH3+])C1 ZINC000414961489 499849436 /nfs/dbraw/zinc/84/94/36/499849436.db2.gz ILPVCFBKPCXVKB-FXAWDEMLSA-N 2 0 358.530 3.306 20 0 FGADRP C[C@@H]1CN(C(=O)CC[C@H]2CCCC[NH+]2C)CC[N@H+](Cc2ccccc2)C1 ZINC000412382240 499850374 /nfs/dbraw/zinc/85/03/74/499850374.db2.gz CGXWKQBWQPHVSF-PZJWPPBQSA-N 2 0 357.542 3.231 20 0 FGADRP COc1ccc2ccccc2c1C[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000415048303 499857984 /nfs/dbraw/zinc/85/79/84/499857984.db2.gz GCJWCXHWXREYBY-UHFFFAOYSA-N 2 0 353.510 3.154 20 0 FGADRP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)CC3 ZINC000415050562 499858296 /nfs/dbraw/zinc/85/82/96/499858296.db2.gz ILGLZWFAFNHOLG-JLAWEPINSA-N 2 0 366.553 3.140 20 0 FGADRP COc1cc(C[N@@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)ccc1OCc1ccncc1 ZINC000415053395 499858849 /nfs/dbraw/zinc/85/88/49/499858849.db2.gz JSHCMLYPBHTQSY-IIBYNOLFSA-N 2 0 355.482 3.086 20 0 FGADRP CCc1ccccc1[C@H]([NH3+])CNCc1nc2c(s1)C[N@@H+](C(C)C)CC2 ZINC000415073459 499860882 /nfs/dbraw/zinc/86/08/82/499860882.db2.gz ZGHOUOAUNMKEET-QGZVFWFLSA-N 2 0 358.555 3.262 20 0 FGADRP CCN1CC[C@H]([NH2+][C@H](C)C[C@H]2CCC[NH2+]2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000415097278 499863043 /nfs/dbraw/zinc/86/30/43/499863043.db2.gz CNFFQAJCNRYMNN-AICUMBRKSA-N 2 0 355.448 3.359 20 0 FGADRP CC[C@H](C(=O)N1CCC([NH2+][C@@H](C)C[C@@H]2CCC[NH2+]2)CC1)c1ccccc1 ZINC000415099328 499863251 /nfs/dbraw/zinc/86/32/51/499863251.db2.gz GTCFOVGIDKTONH-YYWHXJBOSA-N 2 0 357.542 3.291 20 0 FGADRP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](Cc2ccc(OC(F)F)c(F)c2)CC1 ZINC000415106579 499864458 /nfs/dbraw/zinc/86/44/58/499864458.db2.gz JTKUYZIDUQMKJU-WBVHZDCISA-N 2 0 358.404 3.145 20 0 FGADRP CSc1ccccc1OC[C@H](O)C[N@H+](C[C@@H]1CC[NH2+][C@H](C)C1)C(C)C ZINC000415120662 499866295 /nfs/dbraw/zinc/86/62/95/499866295.db2.gz JAHDTTDRGKTEMG-KZNAEPCWSA-N 2 0 366.571 3.247 20 0 FGADRP [NH3+]CC1(O)CC[NH+](C/C=C\c2ccc(OCc3ccccc3)cc2)CC1 ZINC000415147322 499870460 /nfs/dbraw/zinc/87/04/60/499870460.db2.gz HLYNDFVQLZOONW-DAXSKMNVSA-N 2 0 352.478 3.064 20 0 FGADRP C[C@]1(CNC(=O)Nc2ccc(OCC[NH+]3CCCCC3)cc2)CCC[NH2+]C1 ZINC000415302321 499884874 /nfs/dbraw/zinc/88/48/74/499884874.db2.gz CBUCVQYANHJVGX-NRFANRHFSA-N 2 0 374.529 3.063 20 0 FGADRP C[NH2+][C@@H]1CCCN(C(=O)Nc2cccc(CC[NH+]3CCC(C)CC3)c2)C1 ZINC000415393168 499891143 /nfs/dbraw/zinc/89/11/43/499891143.db2.gz OPOOUCKSKXMUCL-HXUWFJFHSA-N 2 0 358.530 3.177 20 0 FGADRP CC[NH+](CC)Cc1cccc(CNC(=O)Nc2ccc3c(c2)C[NH2+]CC3)c1 ZINC000415880477 499923670 /nfs/dbraw/zinc/92/36/70/499923670.db2.gz FQOCEJYQEBANQA-UHFFFAOYSA-N 2 0 366.509 3.496 20 0 FGADRP CC[N@H+](C)Cc1cccc(CNC(=O)Nc2ccc3c(c2)C[NH2+]CC3)c1 ZINC000415881243 499923932 /nfs/dbraw/zinc/92/39/32/499923932.db2.gz HXGUKQMJHRUFPV-UHFFFAOYSA-N 2 0 352.482 3.106 20 0 FGADRP C[C@H](NC(=O)Nc1ccc2c(c1)C[NH2+]CC2)[C@H](c1ccccc1)[NH+](C)C ZINC000415896772 499925631 /nfs/dbraw/zinc/92/56/31/499925631.db2.gz PFQLKRBIAHWAEK-MGPUTAFESA-N 2 0 352.482 3.145 20 0 FGADRP CC[NH2+]Cc1cccc(NC(=O)NC[C@@H](c2cccc(OC)c2)[NH+](C)C)c1 ZINC000415928842 499929581 /nfs/dbraw/zinc/92/95/81/499929581.db2.gz GDKBTNQWKQCGKK-FQEVSTJZSA-N 2 0 370.497 3.229 20 0 FGADRP CC[NH2+]Cc1cccc(NC(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)c1 ZINC000415931703 499929891 /nfs/dbraw/zinc/92/98/91/499929891.db2.gz LHZCSJDRRXAFPO-LJQANCHMSA-N 2 0 358.461 3.360 20 0 FGADRP C[NH2+]Cc1cccc(NC(=O)N[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000415935995 499930545 /nfs/dbraw/zinc/93/05/45/499930545.db2.gz UTIPISIIULLJFF-UZLBHIALSA-N 2 0 352.482 3.048 20 0 FGADRP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)Nc2ccc(OCC[NH3+])cc2)C1 ZINC000415938285 499930722 /nfs/dbraw/zinc/93/07/22/499930722.db2.gz OQLJRKVBSMDWLT-INIZCTEOSA-N 2 0 362.518 3.046 20 0 FGADRP CC[NH+](CC)C[C@H]1CCCC[C@@H]1NC(=O)Nc1ccc(OCC[NH3+])cc1 ZINC000415939362 499931093 /nfs/dbraw/zinc/93/10/93/499931093.db2.gz QVWDXMBHUUNNOD-APWZRJJASA-N 2 0 362.518 3.046 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2cc(C[NH3+])cc(C(F)(F)F)c2)[C@@H](C)C1 ZINC000415954619 499932904 /nfs/dbraw/zinc/93/29/04/499932904.db2.gz KXFLEDOOJAOKHK-LRDDRELGSA-N 2 0 372.435 3.358 20 0 FGADRP C[N@H+](CCCNC(=O)Nc1ccc2c(c1F)CC[NH2+]C2)Cc1ccccc1 ZINC000415961906 499933837 /nfs/dbraw/zinc/93/38/37/499933837.db2.gz SERPVZJGDPBASV-UHFFFAOYSA-N 2 0 370.472 3.115 20 0 FGADRP C[NH+]1CCC(CCNC(=O)Nc2cc(C[NH3+])cc(C(F)(F)F)c2)CC1 ZINC000415968980 499935167 /nfs/dbraw/zinc/93/51/67/499935167.db2.gz JLIOLXNUKLBAGM-UHFFFAOYSA-N 2 0 358.408 3.018 20 0 FGADRP CCCN(CCC[NH+](C)C)C(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000415968981 499935324 /nfs/dbraw/zinc/93/53/24/499935324.db2.gz JLJPCRWMPDNMBH-UHFFFAOYSA-N 2 0 360.424 3.360 20 0 FGADRP C[C@H]1CN(C(=O)Nc2ccc3c(c2)C[NH2+]C3)CC[N@H+](Cc2ccccc2)C1 ZINC000415985020 499937503 /nfs/dbraw/zinc/93/75/03/499937503.db2.gz AGQMJVIEJSRCRR-QGZVFWFLSA-N 2 0 364.493 3.276 20 0 FGADRP C[C@H]([NH3+])c1ccc(CNC(=O)NCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000417034562 499953299 /nfs/dbraw/zinc/95/32/99/499953299.db2.gz GAPRMTORGGUFEI-KSZLIROESA-N 2 0 360.546 3.264 20 0 FGADRP CC(C)CN(C(=O)CC[N@@H+]1CCc2ccccc2C1)C1CC[NH+](C)CC1 ZINC000416160002 499963806 /nfs/dbraw/zinc/96/38/06/499963806.db2.gz NPPZUWPRDLSUOC-UHFFFAOYSA-N 2 0 357.542 3.014 20 0 FGADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cccc(C[NH+]3CCCCC3)c2)[C@H](C)C1 ZINC000413507866 499975054 /nfs/dbraw/zinc/97/50/54/499975054.db2.gz TWDPOZCQOCBSRY-WIYYLYMNSA-N 2 0 357.542 3.475 20 0 FGADRP C[NH+](C)CCN(Cc1ccsc1)C(=O)C[C@H](c1ccccc1)[NH+](C)C ZINC000416252915 499995776 /nfs/dbraw/zinc/99/57/76/499995776.db2.gz PWNDAHIRCNSQMS-LJQANCHMSA-N 2 0 359.539 3.331 20 0 FGADRP C[C@H](CCNC(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1)[NH+](C)Cc1ccccc1 ZINC000429092368 500001837 /nfs/dbraw/zinc/00/18/37/500001837.db2.gz KDOLNGCUAJJELT-NQIIRXRSSA-N 2 0 372.557 3.213 20 0 FGADRP CC1CC[NH+]([C@H](CNC(=O)N2CC[C@H](C)[C@H](C[NH3+])C2)c2ccccc2)CC1 ZINC000417211714 500006829 /nfs/dbraw/zinc/00/68/29/500006829.db2.gz GTDQKAMLJBYHNW-CEWLAPEOSA-N 2 0 372.557 3.086 20 0 FGADRP C[N@H+](Cc1ccccc1CNC(=O)NCC[C@H]1CC[NH2+]C1)C1CCCCC1 ZINC000417225109 500010004 /nfs/dbraw/zinc/01/00/04/500010004.db2.gz RYHXBAYPQWSWGB-GOSISDBHSA-N 2 0 372.557 3.250 20 0 FGADRP CCC[NH+]1CCN(c2ccccc2C[NH2+]C2CCC([NH+](C)C)CC2)CC1 ZINC000421367168 500029042 /nfs/dbraw/zinc/02/90/42/500029042.db2.gz DDZAQCRCLBWQFQ-UHFFFAOYSA-N 3 0 358.574 3.181 20 0 FGADRP COc1cc(C[NH2+]C2CCC([NH+](C)C)CC2)cc(OC)c1OCC(F)F ZINC000421376039 500031225 /nfs/dbraw/zinc/03/12/25/500031225.db2.gz PXXUEFGCTNJFKQ-UHFFFAOYSA-N 2 0 372.456 3.310 20 0 FGADRP C[NH2+]C[C@H]1CCCN(C(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)C1 ZINC000417353972 500046837 /nfs/dbraw/zinc/04/68/37/500046837.db2.gz KSEKMHIFEZZVAB-OAQYLSRUSA-N 2 0 372.557 3.204 20 0 FGADRP O=C(NCC[C@H]1CCC[NH2+]1)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000417357947 500048190 /nfs/dbraw/zinc/04/81/90/500048190.db2.gz HENAFZOUOIWBNA-HXUWFJFHSA-N 2 0 358.530 3.004 20 0 FGADRP Cc1ccc([C@@H](CNC(=O)NC[C@@H]([NH3+])c2ccccc2)[NH+]2CCCC2)cc1 ZINC000417359136 500048764 /nfs/dbraw/zinc/04/87/64/500048764.db2.gz VHARSCMRZQJSRF-NHCUHLMSSA-N 2 0 366.509 3.131 20 0 FGADRP O=C(NCCC[C@@H]1CCC[NH2+]1)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000417384866 500056082 /nfs/dbraw/zinc/05/60/82/500056082.db2.gz XVKXKKSLRKTJIP-NRFANRHFSA-N 2 0 372.557 3.394 20 0 FGADRP CC1CC[NH+](Cc2cccc(CNC(=O)NCCC3=CC[NH2+]CC3)c2)CC1 ZINC000417464013 500081358 /nfs/dbraw/zinc/08/13/58/500081358.db2.gz FFEDSPBUBIRPQP-UHFFFAOYSA-N 2 0 370.541 3.028 20 0 FGADRP CC(C)[C@H](C(=O)Nc1ccc(OCC[NH+](C)C)cc1F)[NH+]1CCCCC1 ZINC000413906317 500092559 /nfs/dbraw/zinc/09/25/59/500092559.db2.gz YBMDGXAOYRTADL-LJQANCHMSA-N 2 0 365.493 3.215 20 0 FGADRP O=C(NCCC[C@@H]1CCC[NH2+]1)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000417591622 500119752 /nfs/dbraw/zinc/11/97/52/500119752.db2.gz XGVBNHDFHPZDIG-UDEWTMQYSA-N 2 0 370.541 3.013 20 0 FGADRP CC(C)[NH+](CCNC(=O)N[C@@H](C[NH3+])c1ccc2ccccc2c1)C(C)C ZINC000416800286 500123247 /nfs/dbraw/zinc/12/32/47/500123247.db2.gz FKAKJKNPSSUCSG-FQEVSTJZSA-N 2 0 356.514 3.258 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)NCC[C@H]1CC[NH2+]C1)c1ccccc1Cl ZINC000416839231 500134668 /nfs/dbraw/zinc/13/46/68/500134668.db2.gz JVEPSCGGOFLACC-CRAIPNDOSA-N 2 0 366.937 3.022 20 0 FGADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H](C)c2csc(-c3ccccc3)n2)CC1 ZINC000414066075 500142610 /nfs/dbraw/zinc/14/26/10/500142610.db2.gz PDAVJEKWPIYTBX-IAGOWNOFSA-N 2 0 358.555 3.487 20 0 FGADRP C[C@@H]([NH2+]C[C@H](C)CN1CC[NH+](C)CC1)c1csc(-c2ccccc2)n1 ZINC000414068930 500144133 /nfs/dbraw/zinc/14/41/33/500144133.db2.gz IVYPNRBFXILFTD-DLBZAZTESA-N 2 0 358.555 3.344 20 0 FGADRP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N[C@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000417677519 500147012 /nfs/dbraw/zinc/14/70/12/500147012.db2.gz FVZNIKGPOAYEKY-KPFFTGBYSA-N 2 0 358.530 3.029 20 0 FGADRP CC[NH+](CC)Cc1ccccc1CNC(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000416885222 500147141 /nfs/dbraw/zinc/14/71/41/500147141.db2.gz FAFZUOGLMFUVKF-UHFFFAOYSA-N 2 0 366.509 3.131 20 0 FGADRP C[C@@H]([NH2+]C1(CNC(=O)N(C)CC(C)(C)C[NH3+])CCCC1)c1ccccc1 ZINC000417712008 500155090 /nfs/dbraw/zinc/15/50/90/500155090.db2.gz WNTRHZLINGGIER-QGZVFWFLSA-N 2 0 360.546 3.276 20 0 FGADRP CON1CCC([NH2+][C@@H]2CCCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000421869848 500166974 /nfs/dbraw/zinc/16/69/74/500166974.db2.gz DRWMGXBKPMXVNK-ILWGZMRPSA-N 2 0 357.542 3.293 20 0 FGADRP C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N(C)CC(C)(C)C[NH3+])C1 ZINC000416967765 500168750 /nfs/dbraw/zinc/16/87/50/500168750.db2.gz HNEKQGQODHDVFC-KRWDZBQOSA-N 2 0 360.546 3.045 20 0 FGADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)NC[C@H]1[NH2+]CCCC1(C)C ZINC000416970821 500170701 /nfs/dbraw/zinc/17/07/01/500170701.db2.gz OGGJVWWDLSPCQL-LJQANCHMSA-N 2 0 360.546 3.104 20 0 FGADRP C[C@@H](CCCC[NH3+])NC(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000416971576 500171021 /nfs/dbraw/zinc/17/10/21/500171021.db2.gz PVYVMTRAENYAPB-MSOLQXFVSA-N 2 0 360.546 3.235 20 0 FGADRP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)NCCC[NH2+]C2CC2)C1 ZINC000416979495 500174000 /nfs/dbraw/zinc/17/40/00/500174000.db2.gz AENUHPJBZQQKLN-QZTJIDSGSA-N 2 0 372.557 3.106 20 0 FGADRP CC1=CCC[C@H](C)[C@H]1C[NH+]1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000573366252 506180585 /nfs/dbraw/zinc/18/05/85/506180585.db2.gz KHDUTKONBNUACG-FPOVZHCZSA-N 2 0 361.574 3.293 20 0 FGADRP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)NCC[C@H]2CCC[NH2+]2)C1 ZINC000416984342 500174861 /nfs/dbraw/zinc/17/48/61/500174861.db2.gz HBMROHAEGLBAON-DBXWQHBBSA-N 2 0 372.557 3.106 20 0 FGADRP C[C@H]1C[C@@H](NC(=O)NCC2([NH3+])CCCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000417827166 500179970 /nfs/dbraw/zinc/17/99/70/500179970.db2.gz CWIYCZHVDJVQBV-HKUYNNGSSA-N 2 0 358.530 3.000 20 0 FGADRP C[N@H+](CCCNC(=O)N[C@@H](CCC[NH3+])c1ccccc1)C1CCCCC1 ZINC000417005149 500182446 /nfs/dbraw/zinc/18/24/46/500182446.db2.gz DHCKBKOBNLKGKZ-FQEVSTJZSA-N 2 0 360.546 3.420 20 0 FGADRP CC[C@@H](C[NH2+]Cc1ccccc1C(=O)N(C)C)N1CCc2ccccc2C1 ZINC000417848719 500183136 /nfs/dbraw/zinc/18/31/36/500183136.db2.gz BXKHYCNCYDWKHK-NRFANRHFSA-N 2 0 365.521 3.315 20 0 FGADRP COc1ccccc1-c1ncc(C[N@@H+]2CCCC23CC[NH+](C)CC3)cn1 ZINC000430055397 500186792 /nfs/dbraw/zinc/18/67/92/500186792.db2.gz CPNUJAOBKLBMNK-UHFFFAOYSA-N 2 0 352.482 3.212 20 0 FGADRP [NH2+]=C1Nc2nc3ccccc3n2[C@]2(CC[N@H+](Cc3ccccc3)C3(CC3)C2)N1 ZINC000582301384 506181234 /nfs/dbraw/zinc/18/12/34/506181234.db2.gz DFIQYPYEIVPSMR-QFIPXVFZSA-N 2 0 372.476 3.468 20 0 FGADRP CC(C)C[C@H](CNC(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1)[NH2+][C@H](C)c1ccccc1 ZINC000417865354 500187261 /nfs/dbraw/zinc/18/72/61/500187261.db2.gz CNPNPBQPDYJWOR-PMXSJFBMSA-N 2 0 372.557 3.145 20 0 FGADRP COc1ccccc1-c1ncc(C[N@@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)cn1 ZINC000430077113 500188979 /nfs/dbraw/zinc/18/89/79/500188979.db2.gz GKADUIZYQDBKQZ-LJQANCHMSA-N 2 0 366.509 3.316 20 0 FGADRP CCCC[N@H+](CC)Cc1cccc(CNC(=O)NC[C@H]2CCC[NH2+]C2)c1 ZINC000417883863 500191578 /nfs/dbraw/zinc/19/15/78/500191578.db2.gz STEXLHYGXSXPNC-FQEVSTJZSA-N 2 0 360.546 3.107 20 0 FGADRP CCC1(CNC(=O)N2CC[C@@H]([NH3+])[C@H](C)C2)CC[NH+](Cc2ccccc2)CC1 ZINC000417923803 500198718 /nfs/dbraw/zinc/19/87/18/500198718.db2.gz LOSDIPJVCIXDDT-UYAOXDASSA-N 2 0 372.557 3.058 20 0 FGADRP CN(C)C(=O)c1ccccc1C[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000418024157 500216053 /nfs/dbraw/zinc/21/60/53/500216053.db2.gz DBAIYYOWLBFPTG-IBGZPJMESA-N 2 0 351.494 3.000 20 0 FGADRP C[NH+](C)C1CCC(NC(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)CC1 ZINC000422129988 500217433 /nfs/dbraw/zinc/21/74/33/500217433.db2.gz AICFCIDTYUBGSC-JCYILVPMSA-N 2 0 364.559 3.057 20 0 FGADRP CCCN(C(=O)N[C@H](C[N@H+](C)Cc1ccccc1)C(C)C)C1CC[NH2+]CC1 ZINC000418043069 500219456 /nfs/dbraw/zinc/21/94/56/500219456.db2.gz YJEUIXYKCRVSQF-OAQYLSRUSA-N 2 0 374.573 3.317 20 0 FGADRP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000418148688 500237434 /nfs/dbraw/zinc/23/74/34/500237434.db2.gz ACQUOAWRGBBRAP-YSIASYRMSA-N 2 0 372.557 3.198 20 0 FGADRP C[C@H]([NH3+])C1CCN(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)CC1 ZINC000418150120 500237747 /nfs/dbraw/zinc/23/77/47/500237747.db2.gz CDXKXLLXAUJZOS-PXNSSMCTSA-N 2 0 372.557 3.056 20 0 FGADRP CCC[N@H+](C)[C@@H](CNC(=O)NCC[C@@H]1CC[NH2+]C1)c1ccc(Cl)cc1 ZINC000418175462 500242632 /nfs/dbraw/zinc/24/26/32/500242632.db2.gz FWXHRCWCAMTOOZ-YJBOKZPZSA-N 2 0 366.937 3.022 20 0 FGADRP C[C@H]([NH3+])c1ccc(CNC(=O)N[C@@H](C)[C@@H](c2ccccc2)[NH+](C)C)cc1 ZINC000418188927 500245700 /nfs/dbraw/zinc/24/57/00/500245700.db2.gz UYIAZZAJSVDYKA-FTRWYGJKSA-N 2 0 354.498 3.197 20 0 FGADRP CCc1ccc([C@H](CNC(=O)N2CC[C@@H]([NH3+])[C@@H](C)C2)[NH+](CC)CC)cc1 ZINC000418215422 500250702 /nfs/dbraw/zinc/25/07/02/500250702.db2.gz MXBYOKLNSQDBDL-DBVUQKKJSA-N 2 0 360.546 3.011 20 0 FGADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)NCC1([N@H+](C)Cc2ccccc2)CCC1 ZINC000418251862 500255878 /nfs/dbraw/zinc/25/58/78/500255878.db2.gz XFTJMLSTQASHPM-LJQANCHMSA-N 2 0 360.546 3.056 20 0 FGADRP CC[NH2+]CC1CC[NH+](CC(=O)N[C@@H](C)c2ccc(CC(C)C)cc2)CC1 ZINC000430587837 500259061 /nfs/dbraw/zinc/25/90/61/500259061.db2.gz AXMDGMFSBQSXOL-SFHVURJKSA-N 2 0 359.558 3.384 20 0 FGADRP CCCN(C(=O)NC[C@H]1CCC[NH2+]C1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000418308494 500260532 /nfs/dbraw/zinc/26/05/32/500260532.db2.gz BTNCTBOGGKXYQN-SFTDATJTSA-N 2 0 372.557 3.072 20 0 FGADRP C[C@H](NC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)[C@@H]1CCC[NH2+]C1 ZINC000418311194 500260751 /nfs/dbraw/zinc/26/07/51/500260751.db2.gz LMRCANDHKNZKRF-FMWKFLBASA-N 2 0 372.557 3.069 20 0 FGADRP C[C@H](NC(=O)N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1)[C@@H]1CCC[NH2+]C1 ZINC000418340396 500264748 /nfs/dbraw/zinc/26/47/48/500264748.db2.gz LHGXVSJSUHVAIU-CMKODMSKSA-N 2 0 364.578 3.061 20 0 FGADRP CC(C)c1ccc([C@H]([NH3+])CNC(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)cc1 ZINC000418352607 500267264 /nfs/dbraw/zinc/26/72/64/500267264.db2.gz MUNSWDDDQYWDCW-LEWJYISDSA-N 2 0 372.557 3.470 20 0 FGADRP CC(C)c1ccc([C@H]([NH3+])CNC(=O)N2C[C@@H]([NH+]3CCCC3)C[C@H]2C)cc1 ZINC000418363381 500268784 /nfs/dbraw/zinc/26/87/84/500268784.db2.gz VRBICVMYJLCZDV-LSTHTHJFSA-N 2 0 358.530 3.078 20 0 FGADRP COc1cc(C[N@@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)ccc1OCc1ccncc1 ZINC000422562039 500274582 /nfs/dbraw/zinc/27/45/82/500274582.db2.gz PBFILSZGJCCQDB-ZWOKBUDYSA-N 2 0 369.509 3.474 20 0 FGADRP CC[C@@H]1CC[C@H](C)C[C@H]1[NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000430719456 500275014 /nfs/dbraw/zinc/27/50/14/500275014.db2.gz FHGDFVWWGPRYIM-QXAKKESOSA-N 2 0 351.579 3.418 20 0 FGADRP CC(C)C[C@H](C[NH3+])NC(=O)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000418453732 500278499 /nfs/dbraw/zinc/27/84/99/500278499.db2.gz YNLPRDMUZZRQTJ-HXUWFJFHSA-N 2 0 372.557 3.058 20 0 FGADRP C[C@@H]1C[C@@H](C)[N@H+](CCC(=O)Nc2cccc(Br)c2)C[C@@H]1C[NH3+] ZINC000422640706 500285456 /nfs/dbraw/zinc/28/54/56/500285456.db2.gz VVVPNGQWUXXJDM-MCIONIFRSA-N 2 0 368.319 3.083 20 0 FGADRP COc1cccc(C[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c1OC ZINC000422701626 500287308 /nfs/dbraw/zinc/28/73/08/500287308.db2.gz DNIILQVIODEWHL-UWJYYQICSA-N 2 0 354.450 3.049 20 0 FGADRP CCOC(=O)C1([C@@H](C)[NH2+]Cc2ccc3[nH]c(C)c(C)c3c2)CC[NH2+]CC1 ZINC000422725487 500289985 /nfs/dbraw/zinc/28/99/85/500289985.db2.gz YBNXXKCGQFWREK-MRXNPFEDSA-N 2 0 357.498 3.196 20 0 FGADRP COc1cccc(OC)c1Oc1ccc(C[NH2+][C@H]2CCCC[C@H]2C[NH3+])cn1 ZINC000422725860 500290264 /nfs/dbraw/zinc/29/02/64/500290264.db2.gz YUIKBXGQQIMWBB-IRXDYDNUSA-N 2 0 371.481 3.498 20 0 FGADRP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000422734019 500291267 /nfs/dbraw/zinc/29/12/67/500291267.db2.gz BZALKJQPVDROFO-GHTZIAJQSA-N 3 0 359.558 3.044 20 0 FGADRP CN(C)[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1)c1c(F)cccc1F ZINC000422746017 500292958 /nfs/dbraw/zinc/29/29/58/500292958.db2.gz NEMSZNCAMGVWFS-WQANXHIZSA-N 2 0 351.485 3.468 20 0 FGADRP COC[C@H](CCC[NH3+])[NH2+]CC1(c2cccc(C(F)(F)F)c2)CCOCC1 ZINC000422757591 500294366 /nfs/dbraw/zinc/29/43/66/500294366.db2.gz JTLOCCYOOLIHON-KRWDZBQOSA-N 2 0 374.447 3.097 20 0 FGADRP C[C@H]([NH2+]C1(CN[C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)CCCC1)c1ccccc1 ZINC000422762255 500295211 /nfs/dbraw/zinc/29/52/11/500295211.db2.gz MKIQSFOGPDRELL-YYWHXJBOSA-N 2 0 357.542 3.007 20 0 FGADRP COc1ccc([C@H](NCC[N@H+](C)Cc2ccccc2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422769126 500296071 /nfs/dbraw/zinc/29/60/71/500296071.db2.gz UMOXGNDWYMCAFS-VXKWHMMOSA-N 2 0 353.510 3.210 20 0 FGADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCc1ccn(-c2ccc(F)cc2)n1 ZINC000422779935 500296377 /nfs/dbraw/zinc/29/63/77/500296377.db2.gz CKEUGFHATZVXGM-HRAATJIYSA-N 2 0 352.457 3.102 20 0 FGADRP c1cc(C[NH+]2CCCCCC2)ccc1C[NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000422779897 500296407 /nfs/dbraw/zinc/29/64/07/500296407.db2.gz JOTRDXPKMYSCIS-DNVJHFABSA-N 3 0 371.569 3.309 20 0 FGADRP Clc1ccccc1N1CCC[C@H]([NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)C1 ZINC000422780644 500296535 /nfs/dbraw/zinc/29/65/35/500296535.db2.gz JQBJPWFSZMNIAL-RNIPGJKVSA-N 2 0 363.933 3.056 20 0 FGADRP CCCN(C(=O)N[C@@H]1CC[NH2+][C@H](C)C1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000418612766 500296705 /nfs/dbraw/zinc/29/67/05/500296705.db2.gz VYJGGFNEHVTSCS-NRSPTQNISA-N 2 0 372.557 3.213 20 0 FGADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCc1ccn(-c2ccc(F)cc2)n1 ZINC000422779938 500296832 /nfs/dbraw/zinc/29/68/32/500296832.db2.gz CKEUGFHATZVXGM-KKSFZXQISA-N 2 0 352.457 3.102 20 0 FGADRP CC[NH+](CC)CCCC1CCN(C(=O)N[C@H](C[NH3+])C2CCCC2)CC1 ZINC000418616497 500296937 /nfs/dbraw/zinc/29/69/37/500296937.db2.gz HRWBLAMJRAEPJZ-LJQANCHMSA-N 2 0 352.567 3.048 20 0 FGADRP C[C@@H](CCCC[NH3+])[NH2+][C@@H](c1ccccc1)c1cccc(S(C)(=O)=O)c1 ZINC000422791001 500298215 /nfs/dbraw/zinc/29/82/15/500298215.db2.gz CVJNLALDTGQCCB-JXFKEZNVSA-N 2 0 360.523 3.287 20 0 FGADRP COc1ccc(C)cc1CC[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422794307 500298450 /nfs/dbraw/zinc/29/84/50/500298450.db2.gz YOWNOWAWXIUJRI-SIKLNZKXSA-N 2 0 352.478 3.392 20 0 FGADRP CC1CC[NH+](Cc2ccc(C[NH2+][C@@H]3CCOC[C@H]3[C@H]3CCC[NH2+]3)cc2)CC1 ZINC000422802662 500299651 /nfs/dbraw/zinc/29/96/51/500299651.db2.gz HTNKYUIAFHQWSD-YTFSRNRJSA-N 3 0 371.569 3.165 20 0 FGADRP Cc1ccc([C@@H]2OCCC[C@@H]2C[NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000422813665 500301310 /nfs/dbraw/zinc/30/13/10/500301310.db2.gz YKHHXKGTUWPYFA-CTWRKMMKSA-N 2 0 358.526 3.209 20 0 FGADRP CC[C@H]([NH2+]CCCC[NH+]1CCN(c2cccc(C)c2)CC1)[C@@H]1CCC[NH2+]1 ZINC000422813079 500301344 /nfs/dbraw/zinc/30/13/44/500301344.db2.gz RKEHXHIXELDXSN-VXKWHMMOSA-N 3 0 358.574 3.017 20 0 FGADRP c1ccc2c(c1)O[C@@]1(CC[NH2+]C1)C[C@@H]2[NH2+]Cc1ccc(N2CCCC2)nc1 ZINC000422828669 500303504 /nfs/dbraw/zinc/30/35/04/500303504.db2.gz OUEBVWCYKBHUIQ-UGKGYDQZSA-N 2 0 364.493 3.027 20 0 FGADRP c1ccc(N2CC[C@H](C[NH2+][C@@H]3C[C@]4(CC[NH2+]C4)Oc4ccccc43)C2)cc1 ZINC000422836667 500304312 /nfs/dbraw/zinc/30/43/12/500304312.db2.gz RREXFELPDSHJQH-AAIMPIBUSA-N 2 0 363.505 3.358 20 0 FGADRP C([NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1)C1(CN2CCOCC2)CCCCC1 ZINC000422845303 500304652 /nfs/dbraw/zinc/30/46/52/500304652.db2.gz BNVSIWYRAKRNJT-QHAWAJNXSA-N 2 0 363.590 3.170 20 0 FGADRP CCN(C(=O)NC[C@H]1CC[C@H](C[NH3+])CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000418667223 500304661 /nfs/dbraw/zinc/30/46/61/500304661.db2.gz MLVJJNNDNBHOBE-SFHLNBCPSA-N 2 0 372.557 3.058 20 0 FGADRP C([NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)C1(N2CCSCC2)CCCC1 ZINC000422853913 500305742 /nfs/dbraw/zinc/30/57/42/500305742.db2.gz ZLJAAJVEMZXKAV-GUDVDZBRSA-N 2 0 351.604 3.248 20 0 FGADRP Cc1ccc(C[NH2+][C@@H](C)c2ccc(C[NH3+])nc2C)c(OC[C@@H]2CCOC2)c1 ZINC000422859911 500306698 /nfs/dbraw/zinc/30/66/98/500306698.db2.gz HRBDZXHORJBTAE-FUHWJXTLSA-N 2 0 369.509 3.423 20 0 FGADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]Cc1ccc(-c2nc3ccccc3s2)o1 ZINC000422858776 500306710 /nfs/dbraw/zinc/30/67/10/500306710.db2.gz JFWLJGAOVSUCOY-NWANDNLSSA-N 2 0 357.479 3.398 20 0 FGADRP C[NH2+]CC1CC[NH+](CC(=O)N[C@@H](c2ccc(F)cc2)C2CCCC2)CC1 ZINC000430919321 500307084 /nfs/dbraw/zinc/30/70/84/500307084.db2.gz KLTFYKWWCOBVJV-OAQYLSRUSA-N 2 0 361.505 3.105 20 0 FGADRP CCCOc1cc(C)ccc1C[NH2+][C@@H](C)C1(C(=O)OCC)CC[NH2+]CC1 ZINC000422875136 500309031 /nfs/dbraw/zinc/30/90/31/500309031.db2.gz OKFMUMSGRQBNHQ-KRWDZBQOSA-N 2 0 362.514 3.195 20 0 FGADRP COc1ccc(CC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)cc1OC(F)F ZINC000422877578 500309750 /nfs/dbraw/zinc/30/97/50/500309750.db2.gz IBXNTEPDAWGLAJ-BZUAXINKSA-N 2 0 354.441 3.349 20 0 FGADRP C[C@@H]([NH3+])C1CC[NH+]([C@H](C)C(=O)N[C@@H](C)c2cccc3ccccc32)CC1 ZINC000430935347 500309900 /nfs/dbraw/zinc/30/99/00/500309900.db2.gz POGLSMNVEYGOGL-IXDOHACOSA-N 2 0 353.510 3.465 20 0 FGADRP CC[NH+](CC)CCN(Cc1ccccc1)C(=O)NC[C@H]1CCC[C@H]([NH3+])C1 ZINC000418706753 500310353 /nfs/dbraw/zinc/31/03/53/500310353.db2.gz BEAMGUKMHNVEQW-PMACEKPBSA-N 2 0 360.546 3.058 20 0 FGADRP C[C@H]([NH3+])[C@H](C)NC(=O)N1CC(C)(C)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000418711624 500310633 /nfs/dbraw/zinc/31/06/33/500310633.db2.gz WNLHCNPYIWDKRC-ABSDTBQOSA-N 2 0 372.557 3.054 20 0 FGADRP CC1CC[NH+](CCCC[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000422887738 500311043 /nfs/dbraw/zinc/31/10/43/500311043.db2.gz ZFWBKSXVALYRJD-RBBKRZOGSA-N 3 0 357.542 3.344 20 0 FGADRP Cc1ccc(CCC2CCN(C(=O)C[NH+]3CCC([C@@H](C)[NH3+])CC3)CC2)cc1 ZINC000430949909 500312440 /nfs/dbraw/zinc/31/24/40/500312440.db2.gz FJHBDLOHYDSTDV-LJQANCHMSA-N 2 0 371.569 3.225 20 0 FGADRP COc1ccc(Cl)cc1N1CC[C@@H]([NH2+][C@@H](C)c2ccc(C[NH3+])nc2C)C1 ZINC000422901356 500313885 /nfs/dbraw/zinc/31/38/85/500313885.db2.gz BVBRREIYLJMUFM-WMLDXEAASA-N 2 0 374.916 3.440 20 0 FGADRP COc1cccc(N2CC[C@H](C[NH2+][C@H](Cc3ccccc3)[C@H](C)[NH3+])C2)c1 ZINC000422907341 500314369 /nfs/dbraw/zinc/31/43/69/500314369.db2.gz XAXVPJKMFPAYOS-LRXVAGHRSA-N 2 0 353.510 3.070 20 0 FGADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]C[C@@H]1CCCCN1Cc1cccc(Cl)c1 ZINC000422905336 500314778 /nfs/dbraw/zinc/31/47/78/500314778.db2.gz HVLBOFRABVMDAJ-MVJPYGJCSA-N 2 0 365.949 3.036 20 0 FGADRP CC[C@H](C[NH2+][C@@H]1CCOC[C@@H]1[C@@H](C)[NH3+])Oc1ccccc1C(F)(F)F ZINC000422920525 500317149 /nfs/dbraw/zinc/31/71/49/500317149.db2.gz MWCKRSTYWMPKRA-IXYNUQLISA-N 2 0 360.420 3.205 20 0 FGADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCOc1ccc(Br)cc1 ZINC000422938302 500319946 /nfs/dbraw/zinc/31/99/46/500319946.db2.gz DOECPBQEHLCQOI-KBXCAEBGSA-N 2 0 363.299 3.376 20 0 FGADRP c1ccc(N2CC[NH+](CCCC[NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)CC2)cc1 ZINC000422938579 500320221 /nfs/dbraw/zinc/32/02/21/500320221.db2.gz HFLVAIDKOZRYNN-ZRBLBEILSA-N 3 0 370.585 3.099 20 0 FGADRP CCOC(=O)C1([C@H](C)[NH2+][C@H](c2ccc(OC)cc2)C2CC2)CC[NH2+]CC1 ZINC000422939560 500320496 /nfs/dbraw/zinc/32/04/96/500320496.db2.gz MBXYKHFSFXFLES-KXBFYZLASA-N 2 0 360.498 3.057 20 0 FGADRP COc1cc(Br)c(C[NH2+]C2CCC(C[NH3+])CC2)cc1OC ZINC000422946267 500321796 /nfs/dbraw/zinc/32/17/96/500321796.db2.gz OPBKIWZDNMFRSM-UHFFFAOYSA-N 2 0 357.292 3.073 20 0 FGADRP C[C@@H](C(=O)Nc1cccc(C(F)(F)F)c1)[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000431033685 500326695 /nfs/dbraw/zinc/32/66/95/500326695.db2.gz QZTNKHODMBABEW-ZDUSSCGKSA-N 2 0 355.404 3.108 20 0 FGADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]CC(C)(C)c1ccccc1Br ZINC000422996416 500328302 /nfs/dbraw/zinc/32/83/02/500328302.db2.gz LXQLNDYHDFNHLI-WOSRLPQWSA-N 2 0 355.320 3.069 20 0 FGADRP CCc1ccc([C@H](CO)[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422998478 500329127 /nfs/dbraw/zinc/32/91/27/500329127.db2.gz CXDDOAOJLUQHBZ-ONTIZHBOSA-N 2 0 352.478 3.128 20 0 FGADRP CO[C@H](c1ccc(Br)cc1)[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423018267 500331871 /nfs/dbraw/zinc/33/18/71/500331871.db2.gz QOFZONMBFYNXSF-BVHQHUIFSA-N 2 0 353.304 3.398 20 0 FGADRP CN1CC[C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000423021239 500332074 /nfs/dbraw/zinc/33/20/74/500332074.db2.gz DTLYNFSVZFCAJE-HPFCBLIXSA-N 2 0 351.897 3.345 20 0 FGADRP Clc1ccc(COCC[NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)c(Cl)c1 ZINC000423026801 500332247 /nfs/dbraw/zinc/33/22/47/500332247.db2.gz OEKBXGMQYAQKMA-RYQLBKOJSA-N 2 0 373.324 3.257 20 0 FGADRP C[C@H](CN(C)Cc1ccccc1)[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423025135 500332557 /nfs/dbraw/zinc/33/25/57/500332557.db2.gz KTJMEJQFMIKPSM-AAIMPIBUSA-N 2 0 365.521 3.352 20 0 FGADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCCc1nc(-c2ccc(F)cc2)no1 ZINC000423035662 500333890 /nfs/dbraw/zinc/33/38/90/500333890.db2.gz SFYZKYHIRRCAGS-HNAYVOBHSA-N 2 0 368.456 3.356 20 0 FGADRP FC(F)(F)c1ccc(C2(C[NH2+][C@@H]3CCOC[C@H]3[C@@H]3CCC[NH2+]3)CC2)cc1 ZINC000423063375 500337171 /nfs/dbraw/zinc/33/71/71/500337171.db2.gz WGAYSOSXCRAHEA-OKZBNKHCSA-N 2 0 368.443 3.484 20 0 FGADRP COC[C@@H](CCC[NH3+])[NH2+][C@@H]1CCCN(c2ccc(Cl)cc2Cl)C1 ZINC000423067251 500337950 /nfs/dbraw/zinc/33/79/50/500337950.db2.gz GQTVWJRNCDOPTG-HUUCEWRRSA-N 2 0 360.329 3.306 20 0 FGADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CCCOc1ccc(C(F)(F)F)cn1 ZINC000423068143 500338048 /nfs/dbraw/zinc/33/80/48/500338048.db2.gz AZICYJXNPQHQKT-LBPRGKRZSA-N 2 0 368.403 3.382 20 0 FGADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+][C@H]1C[C@H](c2ccc(F)c(Br)c2)C1 ZINC000423093048 500341257 /nfs/dbraw/zinc/34/12/57/500341257.db2.gz FNBCYGZJFSTGPE-OKDJTYDRSA-N 2 0 371.294 3.176 20 0 FGADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]Cc1cnc(-c2ccc(Cl)cc2)s1 ZINC000423104351 500342426 /nfs/dbraw/zinc/34/24/26/500342426.db2.gz LXMGHXNOVWIGCA-KNXALSJPSA-N 2 0 351.903 3.305 20 0 FGADRP O=C(Cc1ccccc1)N1CCC[C@H]([NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)C1 ZINC000423117484 500344779 /nfs/dbraw/zinc/34/47/79/500344779.db2.gz VRMNIASIVOFPOS-MYGLTJDJSA-N 2 0 369.553 3.121 20 0 FGADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]CC1(c2ccccc2Br)CCC1 ZINC000423134439 500347390 /nfs/dbraw/zinc/34/73/90/500347390.db2.gz RWMUMSADFGOJFV-ZQIUZPCESA-N 2 0 367.331 3.213 20 0 FGADRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000423147835 500348668 /nfs/dbraw/zinc/34/86/68/500348668.db2.gz SWJOVDBMUUDHKJ-RDJZCZTQSA-N 2 0 372.962 3.404 20 0 FGADRP COc1cccc2c1C[C@H]([NH2+][C@H]1C[C@]3(CC[NH2+]C3)Oc3ccccc31)C2 ZINC000423171906 500351108 /nfs/dbraw/zinc/35/11/08/500351108.db2.gz QMBOJIBSGZVFAT-WVBUVRCRSA-N 2 0 350.462 3.008 20 0 FGADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCCC[NH2+]Cc1cccnc1 ZINC000423187787 500353039 /nfs/dbraw/zinc/35/30/39/500353039.db2.gz MTMMUADAGLRAJO-SIKLNZKXSA-N 2 0 352.526 3.062 20 0 FGADRP C[C@H]([NH3+])CC[NH2+][C@@H](C)c1cccc(S(=O)(=O)NC2CCCCCC2)c1 ZINC000423236671 500357144 /nfs/dbraw/zinc/35/71/44/500357144.db2.gz SCKUBHQKCCNSEH-HOTGVXAUSA-N 2 0 367.559 3.076 20 0 FGADRP C[C@H]([NH3+])c1ccc(C[NH2+][C@@H](C)c2ccc(S(C)(=O)=O)c(F)c2)cc1 ZINC000423291051 500361766 /nfs/dbraw/zinc/36/17/66/500361766.db2.gz GLFRTVOUFSEGJH-STQMWFEESA-N 2 0 350.459 3.100 20 0 FGADRP C[C@H]([NH2+]CC1(C)CC[NH2+]CC1)c1ccc(I)cc1 ZINC000423338734 500365577 /nfs/dbraw/zinc/36/55/77/500365577.db2.gz UVGHDIQXIDKJIN-LBPRGKRZSA-N 2 0 358.267 3.332 20 0 FGADRP C[NH2+]CCc1ccccc1C(=O)N[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000423360355 500367770 /nfs/dbraw/zinc/36/77/70/500367770.db2.gz LHJOPGKPCXBYEB-FXAWDEMLSA-N 2 0 351.494 3.014 20 0 FGADRP c1ccc(-c2noc([C@@]34CCC[C@@H]3C[N@@H+](CCC3CC[NH2+]CC3)C4)n2)cc1 ZINC000576584422 506192222 /nfs/dbraw/zinc/19/22/22/506192222.db2.gz FXYSSRSMSORLRG-DENIHFKCSA-N 2 0 366.509 3.480 20 0 FGADRP Cc1nc(C(C)C)sc1[C@H](C)[NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000423399699 500370622 /nfs/dbraw/zinc/37/06/22/500370622.db2.gz WOLIPPHMLCIPCW-WCQYABFASA-N 2 0 364.481 3.062 20 0 FGADRP C[C@@H]([NH2+][C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)c1ccc(Cl)cc1Cl ZINC000423445865 500375381 /nfs/dbraw/zinc/37/53/81/500375381.db2.gz CEPSSHMCHGDVOZ-ONUMYQOESA-N 2 0 370.324 3.291 20 0 FGADRP COc1ccc(C[C@H](C)[NH2+]C[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)cn1 ZINC000423476212 500377325 /nfs/dbraw/zinc/37/73/25/500377325.db2.gz QWZVNNUXLCFOGH-ZAAXVRCTSA-N 2 0 357.473 3.143 20 0 FGADRP C[C@H]1C[C@H]([NH+]2CCCC2)CN1Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000573407244 506188597 /nfs/dbraw/zinc/18/85/97/506188597.db2.gz INORBAOQJZKIEN-UGKGYDQZSA-N 2 0 370.585 3.276 20 0 FGADRP C[C@H]([NH2+][C@H]1CC[C@@H](C[NH3+])C1)c1ccc(F)c(I)c1 ZINC000423521599 500381916 /nfs/dbraw/zinc/38/19/16/500381916.db2.gz XEKJPTPJGKGIBM-UMNHJUIQSA-N 2 0 362.230 3.208 20 0 FGADRP COc1cccc([C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)[NH+](C)C)c1 ZINC000431558252 500391703 /nfs/dbraw/zinc/39/17/03/500391703.db2.gz RKAXBOZSVONRCM-SFTDATJTSA-N 2 0 373.541 3.211 20 0 FGADRP COc1cccc([C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)[NH+](C)C)c1 ZINC000431558250 500391907 /nfs/dbraw/zinc/39/19/07/500391907.db2.gz RKAXBOZSVONRCM-NHCUHLMSSA-N 2 0 373.541 3.211 20 0 FGADRP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)CC2(C[NH3+])CCCCC2)CC1 ZINC000423845238 500411175 /nfs/dbraw/zinc/41/11/75/500411175.db2.gz JZIATOAWUXQNST-KRWDZBQOSA-N 2 0 358.530 3.023 20 0 FGADRP C[NH+](C)[C@@H](CNC(=O)C[C@H](c1ccccc1)[NH+](C)C)c1ccc(F)cc1 ZINC000431727785 500415746 /nfs/dbraw/zinc/41/57/46/500415746.db2.gz VRMGOHHMPTXRJL-UXHICEINSA-N 2 0 357.473 3.238 20 0 FGADRP CSC1(C[NH2+][C@@H](C)c2ccc3c(c2)OCCCO3)CC[NH+](C)CC1 ZINC000570555450 506194426 /nfs/dbraw/zinc/19/44/26/506194426.db2.gz CMRVHLPRJJKUJQ-HNNXBMFYSA-N 2 0 350.528 3.326 20 0 FGADRP C[N@@H+]1CCCC[C@H]1CCC(=O)N1CCC[NH+](CCCc2ccccc2)CC1 ZINC000431776570 500423328 /nfs/dbraw/zinc/42/33/28/500423328.db2.gz QZZALDXAVBXIMT-QFIPXVFZSA-N 2 0 371.569 3.418 20 0 FGADRP C[N@@H+]1CCCC[C@@H]1CCC(=O)NC[C@@H]1CCC[NH+](Cc2cccs2)C1 ZINC000431779984 500423878 /nfs/dbraw/zinc/42/38/78/500423878.db2.gz WBRLTKGGCGIANK-ZWKOTPCHSA-N 2 0 363.571 3.341 20 0 FGADRP C[N@@H+]1CCCC[C@@H]1CCC(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000431782769 500424478 /nfs/dbraw/zinc/42/44/78/500424478.db2.gz FNQKMHSAIUCVLB-GOSISDBHSA-N 2 0 363.571 3.341 20 0 FGADRP C[NH+](C)[C@H](CC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)c1ccccc1 ZINC000431845271 500433427 /nfs/dbraw/zinc/43/34/27/500433427.db2.gz NSWJGPIARHQCKU-HMXCVIKNSA-N 2 0 355.526 3.155 20 0 FGADRP O=C(Nc1cc(Cl)cc(Cl)c1)[C@H]1CCC[N@@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000420297882 500435961 /nfs/dbraw/zinc/43/59/61/500435961.db2.gz DTHKXXYTMPSQRA-BLLLJJGKSA-N 2 0 356.297 3.396 20 0 FGADRP COc1ccc([C@@H](C[NH3+])C[N@@H+]2CCC[C@@H]2c2ccc3c(c2)OCCO3)cc1 ZINC000420297889 500436349 /nfs/dbraw/zinc/43/63/49/500436349.db2.gz DUCKEQGCTSGLCD-AZUAARDMSA-N 2 0 368.477 3.346 20 0 FGADRP CCc1cc(C(=O)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)sc1C ZINC000424019235 500437879 /nfs/dbraw/zinc/43/78/79/500437879.db2.gz LNFAZJWNLYXQCE-UHFFFAOYSA-N 2 0 371.550 3.342 20 0 FGADRP O=C(c1cccc(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)c1)N1CCCCC1 ZINC000420330741 500442511 /nfs/dbraw/zinc/44/25/11/500442511.db2.gz BPNQMKZSXCUMAR-OAQYLSRUSA-N 2 0 355.526 3.277 20 0 FGADRP C[C@H](C(=O)Nc1cccc2ccccc21)[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420330695 500442574 /nfs/dbraw/zinc/44/25/74/500442574.db2.gz BEMFHGNDUXRMJF-QRQLOZEOSA-N 2 0 351.494 3.488 20 0 FGADRP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](CCOc2ccc(Cl)cc2Cl)CC1 ZINC000420333952 500443427 /nfs/dbraw/zinc/44/34/27/500443427.db2.gz TZAWIYFHXWWBDV-WBVHZDCISA-N 2 0 359.297 3.200 20 0 FGADRP C[C@H](C(=O)Nc1cc(Cl)ccc1F)[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420344437 500445707 /nfs/dbraw/zinc/44/57/07/500445707.db2.gz SXPVTJPAZCAWTO-RDBSUJKOSA-N 2 0 353.869 3.128 20 0 FGADRP O=C(CC[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1)N[C@@H]1CCCc2ccccc21 ZINC000420379919 500451848 /nfs/dbraw/zinc/45/18/48/500451848.db2.gz BOKVQWIGHCLFSO-HMXCVIKNSA-N 2 0 355.526 3.034 20 0 FGADRP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](CCOc2ccccc2C(F)(F)F)CC1 ZINC000420381883 500452132 /nfs/dbraw/zinc/45/21/32/500452132.db2.gz PFUYLYHLHAPLHC-AEFFLSMTSA-N 2 0 372.431 3.303 20 0 FGADRP C[C@H](c1ccc(OC(F)(F)F)cc1)[N@@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000420388701 500453360 /nfs/dbraw/zinc/45/33/60/500453360.db2.gz XIGGMZZGPWHWLG-IUODEOHRSA-N 2 0 369.391 3.034 20 0 FGADRP CC(C)n1cncc1C[NH2+]Cc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000424130198 500458349 /nfs/dbraw/zinc/45/83/49/500458349.db2.gz HCBKOVMLHCYOHO-QZTJIDSGSA-N 2 0 356.514 3.363 20 0 FGADRP Cc1cc(F)c(C[NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)c(F)c1 ZINC000424169162 500463210 /nfs/dbraw/zinc/46/32/10/500463210.db2.gz JJERZUDDUIIZSY-UHFFFAOYSA-N 2 0 360.448 3.390 20 0 FGADRP C[C@H]1CC2(C[N@@H+]1CC(=O)NCC1(c3ccccc3)CCCC1)CC[NH2+]CC2 ZINC000424283801 500481325 /nfs/dbraw/zinc/48/13/25/500481325.db2.gz CEKQVBOKVGCPSL-IBGZPJMESA-N 2 0 369.553 3.079 20 0 FGADRP Cc1cc(C(=O)C[N@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)c(C)n1CC(F)(F)F ZINC000424301542 500483319 /nfs/dbraw/zinc/48/33/19/500483319.db2.gz XOUVEIVKUXVOBF-CQSZACIVSA-N 2 0 371.447 3.314 20 0 FGADRP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+][C@@H](Cc1ccncc1)c1cccs1 ZINC000424320881 500486385 /nfs/dbraw/zinc/48/63/85/500486385.db2.gz TVTNCISQTXIVHY-OALUTQOASA-N 2 0 359.539 3.253 20 0 FGADRP CCOc1cccc(CNCCC[N@@H+]2CCCO[C@H](C)C2)c1OC(F)F ZINC000432370509 500506166 /nfs/dbraw/zinc/50/61/66/500506166.db2.gz UZDUYFXZQWVSHG-OAHLLOKOSA-N 2 0 372.456 3.277 20 0 FGADRP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000424451758 500507666 /nfs/dbraw/zinc/50/76/66/500507666.db2.gz FOCKATWEXBZOTI-PWIZWCRZSA-N 2 0 358.530 3.130 20 0 FGADRP Cc1c([C@@H](C)NCCC[N@@H+]2CCCO[C@@H](C)C2)nnn1-c1ccc(C)cc1 ZINC000432412781 500512825 /nfs/dbraw/zinc/51/28/25/500512825.db2.gz CVDFCUQXRMGURR-ZWKOTPCHSA-N 2 0 371.529 3.036 20 0 FGADRP c1cc(CN2CCOCC2)cc(C[NH+]2CCC(c3ccncc3)CC2)c1 ZINC000420923452 500530822 /nfs/dbraw/zinc/53/08/22/500530822.db2.gz QGZXFJSOUVBINI-UHFFFAOYSA-N 2 0 351.494 3.293 20 0 FGADRP Cc1noc(C[C@@H]([NH2+]Cc2cn(-c3cc[nH+]cc3)nc2C)c2ccccc2)n1 ZINC000428648275 500537514 /nfs/dbraw/zinc/53/75/14/500537514.db2.gz CXUOQYNWIAJIRH-HXUWFJFHSA-N 2 0 374.448 3.341 20 0 FGADRP CC[NH+]1CCC(N2CCC[N@H+](CCO[C@H]3CCCC[C@H]3C)CC2)CC1 ZINC000420984867 500547972 /nfs/dbraw/zinc/54/79/72/500547972.db2.gz UYUZTEGFIMYTRS-CTNGQTDRSA-N 2 0 351.579 3.074 20 0 FGADRP Cc1c([C@H](C)[NH2+]CC2CC[NH+](C3CC3)CC2)nnn1-c1ccc(C)cc1 ZINC000447568057 500626490 /nfs/dbraw/zinc/62/64/90/500626490.db2.gz HAOJZRQYXCVCRK-INIZCTEOSA-N 2 0 353.514 3.409 20 0 FGADRP CCC[C@@H]1CCc2nc(NC(=O)CCC[NH+]3CCC([NH3+])CC3)sc2C1 ZINC000433139904 500633419 /nfs/dbraw/zinc/63/34/19/500633419.db2.gz DEERUBUVIURZBB-CQSZACIVSA-N 2 0 364.559 3.190 20 0 FGADRP CCOc1ccc(C(F)(F)F)cc1NC(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433140891 500633772 /nfs/dbraw/zinc/63/37/72/500633772.db2.gz KQXHUURXUJOGRD-UHFFFAOYSA-N 2 0 373.419 3.246 20 0 FGADRP [NH3+]C1CC[NH+](CCCC(=O)Nc2ccc(Oc3ccccn3)cc2)CC1 ZINC000433153769 500635836 /nfs/dbraw/zinc/63/58/36/500635836.db2.gz XGMSMJVIHZIFKB-UHFFFAOYSA-N 2 0 354.454 3.016 20 0 FGADRP Cc1coc(-c2ccc(C)c(NC(=O)CCC[NH+]3CCC([NH3+])CC3)c2)n1 ZINC000433158025 500636857 /nfs/dbraw/zinc/63/68/57/500636857.db2.gz IMAXQWMUBVDACM-UHFFFAOYSA-N 2 0 356.470 3.100 20 0 FGADRP C[C@@H](CCc1ccc(OC(F)F)cc1)[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000442869572 500637288 /nfs/dbraw/zinc/63/72/88/500637288.db2.gz DQUCUUDFGYMZJT-INIZCTEOSA-N 2 0 369.500 3.225 20 0 FGADRP C[C@H](C(=O)N1CCC(c2ncc3n2CCCC3)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000447673237 500642878 /nfs/dbraw/zinc/64/28/78/500642878.db2.gz SNKZYSXDEAOJBQ-IXDOHACOSA-N 2 0 358.530 3.187 20 0 FGADRP [NH3+]CC[C@@H]1CCC[N@H+](Cc2cn(-c3ccccc3)nc2-c2ccncc2)C1 ZINC000442925109 500647276 /nfs/dbraw/zinc/64/72/76/500647276.db2.gz UGUGNMCLQPGNQX-SFHVURJKSA-N 2 0 361.493 3.495 20 0 FGADRP C[NH+](C)[C@H]1CCOc2c(NC(=O)[C@@H]3CCC[N@@H+]3C3CCCC3)cccc21 ZINC000447724781 500653704 /nfs/dbraw/zinc/65/37/04/500653704.db2.gz YHJFCIGMXAAOTC-OALUTQOASA-N 2 0 357.498 3.417 20 0 FGADRP C[NH+](C)CC1CCN(C(=O)[C@@]23CCC[C@@H]2C[N@H+](Cc2ccccc2)C3)CC1 ZINC000442960614 500654229 /nfs/dbraw/zinc/65/42/29/500654229.db2.gz CLPYCNYRFUXLCN-FYYLOGMGSA-N 2 0 369.553 3.089 20 0 FGADRP C[NH+](C)CCOc1ccc(NC(=O)C[C@@H](c2ccccc2)[NH+](C)C)cc1 ZINC000433314852 500670015 /nfs/dbraw/zinc/67/00/15/500670015.db2.gz CAGMWOLJFLVRNW-FQEVSTJZSA-N 2 0 355.482 3.259 20 0 FGADRP Cc1ccc(CN(CC[NH+](C)C)C(=O)C[C@H](c2ccccc2)[NH+](C)C)o1 ZINC000433315207 500670118 /nfs/dbraw/zinc/67/01/18/500670118.db2.gz DHPMTEPTSLTWLH-HXUWFJFHSA-N 2 0 357.498 3.171 20 0 FGADRP [NH3+]CC[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000443067394 500673659 /nfs/dbraw/zinc/67/36/59/500673659.db2.gz GLWAYFCNDRMNEC-NSHDSACASA-N 2 0 363.811 3.358 20 0 FGADRP Cc1nn(C)c(C[NH2+]CCCC[N@H+]2CCC[C@@H](C)C2)c1Br ZINC000447934965 500692797 /nfs/dbraw/zinc/69/27/97/500692797.db2.gz CPMQPABVPBJYED-CYBMUJFWSA-N 2 0 357.340 3.093 20 0 FGADRP CC(C)N1CCC[C@H]([N@H+](Cc2ccsc2)[C@H]2CC23CC[NH2+]CC3)C1=O ZINC000447947778 500694161 /nfs/dbraw/zinc/69/41/61/500694161.db2.gz IBZMJFXGTJLDCQ-ROUUACIJSA-N 2 0 361.555 3.092 20 0 FGADRP COc1cc(-c2noc(C[NH+]3[C@@H](C)CC[C@@H]3C)n2)ccc1OCC[NH+](C)C ZINC000443190365 500694576 /nfs/dbraw/zinc/69/45/76/500694576.db2.gz BHLCHMKGTIZGMW-GJZGRUSLSA-N 2 0 374.485 3.058 20 0 FGADRP O=C(NCc1cccc(C[NH+]2CCCC2)c1)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000433558086 500711707 /nfs/dbraw/zinc/71/17/07/500711707.db2.gz AKLYERWYNGFWCM-NRFANRHFSA-N 2 0 370.541 3.099 20 0 FGADRP C[C@H]1CC[N@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C[C@@H](C)C1 ZINC000443636331 500748071 /nfs/dbraw/zinc/74/80/71/500748071.db2.gz AYQCVKKONGTELB-OALUTQOASA-N 2 0 357.542 3.267 20 0 FGADRP CCCNC(=O)C[NH+]1CCC(Nc2cc(CCC)[nH+]c3ccccc23)CC1 ZINC000443666355 500752414 /nfs/dbraw/zinc/75/24/14/500752414.db2.gz LQVHYVKTCUMQTO-UHFFFAOYSA-N 2 0 368.525 3.012 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CC[NH+]([C@H](C)c3ccccc3)C2)[C@H](C)C1 ZINC000448468114 500762399 /nfs/dbraw/zinc/76/23/99/500762399.db2.gz UAMWYAGBCUVOAE-UKAVVXHISA-N 2 0 372.557 3.194 20 0 FGADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)N(C)[C@H]1CC[NH+](CC)C[C@H]1C ZINC000448519243 500767031 /nfs/dbraw/zinc/76/70/31/500767031.db2.gz CJECOLLCWWUJNZ-QRVBRYPASA-N 2 0 352.567 3.013 20 0 FGADRP CC[NH+](CC)[C@@H](C(=O)NCC[C@H]1CCC[NH2+]1)c1cccc(C(F)(F)F)c1 ZINC000444263243 500826009 /nfs/dbraw/zinc/82/60/09/500826009.db2.gz MXRUGRFEJCYOFN-IAGOWNOFSA-N 2 0 371.447 3.347 20 0 FGADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@@H]1CC[NH+]([C@H](C)c2ccccc2)C1 ZINC000439215971 500870585 /nfs/dbraw/zinc/87/05/85/500870585.db2.gz NUFWADJQUXYYQM-WLRLJWMZSA-N 2 0 370.541 3.090 20 0 FGADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NCC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000439228611 500872314 /nfs/dbraw/zinc/87/23/14/500872314.db2.gz HPWDJQLFGLAKKB-MKXGPGLRSA-N 2 0 364.578 3.011 20 0 FGADRP C[C@H](C(=O)N[C@@H](C[NH3+])c1ccc2ccccc2c1)[N@H+](C)Cc1ccccc1 ZINC000434696765 500880218 /nfs/dbraw/zinc/88/02/18/500880218.db2.gz HUAHRPNUTVFEOT-VGSWGCGISA-N 2 0 361.489 3.476 20 0 FGADRP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)N(CC[NH+](C)C)Cc1cccs1 ZINC000439311834 500884248 /nfs/dbraw/zinc/88/42/48/500884248.db2.gz ZJPSJWMPKPAWKR-CALCHBBNSA-N 2 0 366.575 3.084 20 0 FGADRP CC[N@H+](CCNC(=O)Nc1nc(CN2CCC[C@H](C)C2)cs1)C(C)C ZINC000588181717 506222546 /nfs/dbraw/zinc/22/25/46/506222546.db2.gz ADVWVFUEUYULDO-HNNXBMFYSA-N 2 0 367.563 3.227 20 0 FGADRP C[C@]1(CCc2ccccc2)CC[N@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000434907445 500911040 /nfs/dbraw/zinc/91/10/40/500911040.db2.gz RRJAHLNXABIUMW-QHCPKHFHSA-N 2 0 369.553 3.074 20 0 FGADRP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]CCN(C)CC(F)(F)F)CC1 ZINC000449150122 500935428 /nfs/dbraw/zinc/93/54/28/500935428.db2.gz YQOLFVNKHHUJHH-INIZCTEOSA-N 2 0 357.464 3.166 20 0 FGADRP O[C@@H]1CCC[C@H]1[NH+]1CCC([NH2+]C2CCC(OC3CCCC3)CC2)CC1 ZINC000449185589 500942886 /nfs/dbraw/zinc/94/28/86/500942886.db2.gz GSVJQVGPHZHBPU-PUPGKCOFSA-N 2 0 350.547 3.224 20 0 FGADRP O=C(NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)[C@H]1CCC[NH+]1C1CCCC1 ZINC000439844139 500945057 /nfs/dbraw/zinc/94/50/57/500945057.db2.gz SVMLKKMCQBYXKN-RBBKRZOGSA-N 2 0 369.553 3.074 20 0 FGADRP C[NH2+]C[C@@H]1CCC[N@H+](Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)C1 ZINC000435373915 500962224 /nfs/dbraw/zinc/96/22/24/500962224.db2.gz GPIUMUKSUQHVAQ-HNNXBMFYSA-N 2 0 352.404 3.323 20 0 FGADRP Cc1nn(-c2ccc(Br)cc2)c(C)c1C[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000435388012 500965588 /nfs/dbraw/zinc/96/55/88/500965588.db2.gz DHVXYFUBVZGOSP-CQSZACIVSA-N 2 0 363.303 3.032 20 0 FGADRP COc1cc(CN2CCCC[C@@H]2[C@H](C)[NH3+])ccc1OCc1ccncc1 ZINC000435391444 500966737 /nfs/dbraw/zinc/96/67/37/500966737.db2.gz WQPKTQILYMFLHO-QFBILLFUSA-N 2 0 355.482 3.371 20 0 FGADRP C[N@H+](Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1)[C@@H]1CCC[NH2+]CC1 ZINC000435436914 500977046 /nfs/dbraw/zinc/97/70/46/500977046.db2.gz IJDBPCSDVUTKJV-OAHLLOKOSA-N 2 0 352.404 3.465 20 0 FGADRP O=C(NCc1ccc(C[NH+]2CCCC2)cc1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000440168731 500983305 /nfs/dbraw/zinc/98/33/05/500983305.db2.gz KTSKKXOIMCHJQI-NRFANRHFSA-N 2 0 355.526 3.306 20 0 FGADRP FC(F)(F)c1cc(C[NH2+]C2CCN(Cc3cccnc3)CC2)ccn1 ZINC000449437479 501003100 /nfs/dbraw/zinc/00/31/00/501003100.db2.gz LSMAUXZUFLBENC-UHFFFAOYSA-N 2 0 350.388 3.250 20 0 FGADRP COC(=O)[C@@H]1CCCC[C@@H]1[NH2+]C1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000449513785 501022552 /nfs/dbraw/zinc/02/25/52/501022552.db2.gz UGZWNSAEYUSCJJ-WMQCIHAUSA-N 2 0 358.526 3.403 20 0 FGADRP CC1(C)CCc2ccccc2[C@@H]([NH2+]CC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000440611141 501029027 /nfs/dbraw/zinc/02/90/27/501029027.db2.gz NMUXGWNCAWNDEW-NRFANRHFSA-N 2 0 369.553 3.423 20 0 FGADRP CC[NH+](CC)CCCC1CCN(C(=O)NCC2([NH+](C)C)CCC2)CC1 ZINC000445842040 501039811 /nfs/dbraw/zinc/03/98/11/501039811.db2.gz XRCJAUQIPBYRNU-UHFFFAOYSA-N 2 0 352.567 3.014 20 0 FGADRP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)NC2CCC(C[NH+](C)C)CC2)C1 ZINC000440819585 501052375 /nfs/dbraw/zinc/05/23/75/501052375.db2.gz MNOAZVFPQXYIKI-YYZRRKBYSA-N 2 0 366.594 3.163 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)NC1CCC(C[NH+](C)C)CC1)CC(C)C ZINC000440857763 501056581 /nfs/dbraw/zinc/05/65/81/501056581.db2.gz GTFLMQZLDVLRDU-CTWPCTMYSA-N 2 0 354.583 3.163 20 0 FGADRP C[NH+](Cc1ccc(C[N@@H+](C)[C@H](CO)C(C)(C)C)cc1)[C@H](CO)C(C)(C)C ZINC000441064998 501082280 /nfs/dbraw/zinc/08/22/80/501082280.db2.gz IXPODNOKLGWNJW-WOJBJXKFSA-N 2 0 364.574 3.364 20 0 FGADRP O=C(NCc1ccc(C[NH+]2CCCCCC2)cc1)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000436289375 501102182 /nfs/dbraw/zinc/10/21/82/501102182.db2.gz MSLHMUGTNJKDBL-IFMALSPDSA-N 2 0 355.526 3.069 20 0 FGADRP Cc1ccc([C@@H](CCn2cncn2)[NH2+]CC2(C[NH+](C)C)CCCC2)cc1 ZINC000446881911 501176830 /nfs/dbraw/zinc/17/68/30/501176830.db2.gz XDYWPMPGMUKSIA-HXUWFJFHSA-N 2 0 355.530 3.430 20 0 FGADRP COc1ccc([C@@H](CCn2cncn2)[NH2+]C2CC[NH+](C(C)(C)C)CC2)cc1 ZINC000446940101 501183507 /nfs/dbraw/zinc/18/35/07/501183507.db2.gz RLRZPUZWNAYEKF-HXUWFJFHSA-N 2 0 371.529 3.271 20 0 FGADRP FC(F)C(F)(F)COCC[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000446973230 501188738 /nfs/dbraw/zinc/18/87/38/501188738.db2.gz BZXUSMQHHSOETH-YESZJQIVSA-N 2 0 374.422 3.404 20 0 FGADRP CO[C@H](C[NH2+][C@@H]1CCN(Cc2ccccn2)C[C@H]1C)Cc1ccccc1 ZINC000450829218 501214938 /nfs/dbraw/zinc/21/49/38/501214938.db2.gz NSHCWFHFYAKNMR-BVYCBKJFSA-N 2 0 353.510 3.139 20 0 FGADRP CC[NH+]1CCN(c2ccc(C[NH2+][C@H](C)CCCc3cccnc3)cn2)CC1 ZINC000453068796 501262041 /nfs/dbraw/zinc/26/20/41/501262041.db2.gz STTJCQGHWHMPQO-LJQANCHMSA-N 2 0 367.541 3.120 20 0 FGADRP CC(=O)NC1CCC([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)CC1 ZINC000453102653 501269802 /nfs/dbraw/zinc/26/98/02/501269802.db2.gz YGHNIJOYGVXTMB-JTPDYBDNSA-N 2 0 369.553 3.467 20 0 FGADRP c1ccc(C[N@H+]2CC[C@H]([NH2+]CCCO[C@@H]3CCOC3)[C@@H]3CCC[C@H]32)cc1 ZINC000453134699 501276235 /nfs/dbraw/zinc/27/62/35/501276235.db2.gz SMNGFVOBROFRTO-CLAROIROSA-N 2 0 358.526 3.215 20 0 FGADRP c1nnc(C2CC2)n1CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000453148071 501279209 /nfs/dbraw/zinc/27/92/09/501279209.db2.gz QRPIFLDPVXDVHJ-QHAWAJNXSA-N 2 0 365.525 3.188 20 0 FGADRP C[C@@H]1C[NH+](CCOc2ccc(CC[NH2+][C@@H]3CCn4ccnc43)cc2)C[C@H]1C ZINC000453160798 501281838 /nfs/dbraw/zinc/28/18/38/501281838.db2.gz IANIGVVBJCDPIG-DBXWQHBBSA-N 2 0 368.525 3.127 20 0 FGADRP CCNC(=O)C(C)(C)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000453178075 501285969 /nfs/dbraw/zinc/28/59/69/501285969.db2.gz URUZUXPHMPPWKI-VAMGGRTRSA-N 2 0 357.542 3.182 20 0 FGADRP Cc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)c(=O)n1C ZINC000453209096 501291961 /nfs/dbraw/zinc/29/19/61/501291961.db2.gz CTABQCGIYQXIMH-BHDDXSALSA-N 2 0 365.521 3.227 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H](O)Cc1cccc(F)c1 ZINC000453230456 501295072 /nfs/dbraw/zinc/29/50/72/501295072.db2.gz DZDGYIINSIXMAG-ZPMCFJSWSA-N 2 0 356.485 3.229 20 0 FGADRP CO[C@@H]1COCC[C@@H]1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000453318809 501313910 /nfs/dbraw/zinc/31/39/10/501313910.db2.gz LMZZSLMJSYRUQU-CSEOROSGSA-N 2 0 358.526 3.071 20 0 FGADRP CCn1ccnc1[C@H](C)NC(=O)NC[C@@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC000455482153 501314764 /nfs/dbraw/zinc/31/47/64/501314764.db2.gz XJSJVVDOKDJNAC-HKUYNNGSSA-N 2 0 369.513 3.409 20 0 FGADRP CC(=O)N1CCCN(C[C@@H]2CCC[N@H+](C[C@@H]3CCCCC3(F)F)C2)CC1 ZINC000451533216 501315452 /nfs/dbraw/zinc/31/54/52/501315452.db2.gz VRBOMMAULMNOTG-OALUTQOASA-N 2 0 371.516 3.078 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)NCCCC[NH+](C)C1CC1 ZINC000455607633 501345898 /nfs/dbraw/zinc/34/58/98/501345898.db2.gz JCCJNGUSAIWLJK-LJQANCHMSA-N 2 0 372.557 3.167 20 0 FGADRP C[NH+](C)CCOc1ccc(NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)cc1F ZINC000458273193 501408620 /nfs/dbraw/zinc/40/86/20/501408620.db2.gz AIWXOKLXJUQXTR-SFHVURJKSA-N 2 0 363.477 3.112 20 0 FGADRP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+]2[C@H](C)CCC2(C)C)CC1 ZINC000452017786 501419528 /nfs/dbraw/zinc/41/95/28/501419528.db2.gz XLVIXMXBQINNFU-GOSISDBHSA-N 2 0 357.542 3.339 20 0 FGADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)C1 ZINC000455949734 501424149 /nfs/dbraw/zinc/42/41/49/501424149.db2.gz YYNUGHKCIOZBIV-OXQOHEQNSA-N 2 0 358.530 3.431 20 0 FGADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)N1CC[N@@H+](C2CC2)C[C@@H](C)C1)c1ccccc1 ZINC000458376380 501430686 /nfs/dbraw/zinc/43/06/86/501430686.db2.gz QNONWLPITTUKSA-QZTJIDSGSA-N 2 0 372.557 3.242 20 0 FGADRP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)NCC[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000458396853 501435926 /nfs/dbraw/zinc/43/59/26/501435926.db2.gz DCZLDQDXQLQRQD-OALUTQOASA-N 2 0 372.557 3.243 20 0 FGADRP C(=C\C[N@@H+]1CCCC2(CCOCC2)C1)\C[NH+]1CCCC2(CCOCC2)C1 ZINC000607749841 506252987 /nfs/dbraw/zinc/25/29/87/506252987.db2.gz SPQCHBLAKYQMAV-UPHRSURJSA-N 2 0 362.558 3.328 20 0 FGADRP C[N@H+](CCc1ccc2c(c1)OCCO2)C1CCN(CCC(F)(F)F)CC1 ZINC000452122203 501440481 /nfs/dbraw/zinc/44/04/81/501440481.db2.gz UWKQMKBYRPZNGA-UHFFFAOYSA-N 2 0 372.431 3.349 20 0 FGADRP CC[N@H+](CCNC(=O)NCc1ccccc1C[NH+]1CCC[C@@H](C)C1)C(C)C ZINC000588276246 506257790 /nfs/dbraw/zinc/25/77/90/506257790.db2.gz MXEOKLAOUGGWIF-LJQANCHMSA-N 2 0 374.573 3.448 20 0 FGADRP CSC[C@@H](O)C[N@@H+]1CC(C)(C)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000453027472 501604053 /nfs/dbraw/zinc/60/40/53/501604053.db2.gz VMWKMDSTFJYLSJ-VQTJNVASSA-N 2 0 362.583 3.333 20 0 FGADRP CC[NH+](CC)CCCNC(=O)C1CC[NH+](CC2CCC(F)(F)CC2)CC1 ZINC000459307831 501628464 /nfs/dbraw/zinc/62/84/64/501628464.db2.gz SGINKLDJJBMKIM-UHFFFAOYSA-N 2 0 373.532 3.372 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)NCCCCC[NH+]1CCCC1 ZINC000454788501 501629863 /nfs/dbraw/zinc/62/98/63/501629863.db2.gz BCBJHIGGCRQWDQ-TZIWHRDSSA-N 2 0 372.557 3.072 20 0 FGADRP CC[C@H]1CN(C(=O)NCC[C@H]2CCC[NH+](C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000459330830 501632044 /nfs/dbraw/zinc/63/20/44/501632044.db2.gz ZVCZMROBCDYNFB-RTWAWAEBSA-N 2 0 372.557 3.024 20 0 FGADRP C[C@H](c1ccccc1)N1CC[C@H]([NH2+]C2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000459411015 501648984 /nfs/dbraw/zinc/64/89/84/501648984.db2.gz PWGRLQQTBSYEOZ-NQIIRXRSSA-N 3 0 350.510 3.476 20 0 FGADRP CCOc1cc(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)ccc1O ZINC000459466330 501658420 /nfs/dbraw/zinc/65/84/20/501658420.db2.gz OZKCDZSNDKEPAK-UHFFFAOYSA-N 2 0 362.514 3.115 20 0 FGADRP COC[C@H](O)C[N@@H+]1CCCCC[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000459522947 501669196 /nfs/dbraw/zinc/66/91/96/501669196.db2.gz LDSJUJLCVVGPKO-FGZHOGPDSA-N 2 0 360.542 3.151 20 0 FGADRP COc1cc(C[NH2+]CC[C@H]2CCC[N@H+](C)C2)ccc1OCC(F)(F)F ZINC000459721095 501703817 /nfs/dbraw/zinc/70/38/17/501703817.db2.gz AONADJLDHFITPS-CQSZACIVSA-N 2 0 360.420 3.458 20 0 FGADRP COc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000459729698 501705242 /nfs/dbraw/zinc/70/52/42/501705242.db2.gz DKSWALJXUABSSG-CABCVRRESA-N 2 0 367.921 3.387 20 0 FGADRP C[N@@H+]1CCC[C@H](CC[NH2+]Cc2cc(Br)cc3c2OCC3)C1 ZINC000459772302 501712386 /nfs/dbraw/zinc/71/23/86/501712386.db2.gz IKGHOHVKLPKKSL-CYBMUJFWSA-N 2 0 353.304 3.206 20 0 FGADRP CCC[C@H]([NH2+]CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)C1CCC1 ZINC000459810311 501717507 /nfs/dbraw/zinc/71/75/07/501717507.db2.gz TXKWTCQPISDUML-NRFANRHFSA-N 2 0 357.542 3.457 20 0 FGADRP CC[NH+](CC)Cc1ccc(CNC(=O)N2CC[N@@H+](C3CC3)C[C@H](C)C2)cc1 ZINC000457538172 501718702 /nfs/dbraw/zinc/71/87/02/501718702.db2.gz WZYAAYMBNHSDSJ-SFHVURJKSA-N 2 0 372.557 3.154 20 0 FGADRP C[NH+](C)CC1CC[NH+](CCC(=O)Nc2ccccc2C(F)(F)F)CC1 ZINC000485127353 501730329 /nfs/dbraw/zinc/73/03/29/501730329.db2.gz UMSGZOVLLVEPPI-UHFFFAOYSA-N 2 0 357.420 3.308 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccc(Cl)cc1C ZINC000481292388 501734958 /nfs/dbraw/zinc/73/49/58/501734958.db2.gz MYENAVHKMQAQQG-QGZVFWFLSA-N 2 0 351.922 3.137 20 0 FGADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NC[C@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000470600719 501739784 /nfs/dbraw/zinc/73/97/84/501739784.db2.gz MXYSTELQSAKUJP-JKIFEVAISA-N 2 0 371.447 3.297 20 0 FGADRP CC1CC[NH+](CC(=O)NC[C@@H](c2cccc(C(F)(F)F)c2)[NH+](C)C)CC1 ZINC000470602905 501740272 /nfs/dbraw/zinc/74/02/72/501740272.db2.gz UTMAASWAHGHIQY-KRWDZBQOSA-N 2 0 371.447 3.156 20 0 FGADRP COc1cc2c(cc1F)CC[C@@H]2[NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000467337675 501773635 /nfs/dbraw/zinc/77/36/35/501773635.db2.gz FDEHTJVUUHBYCP-CLCXKQKWSA-N 2 0 350.478 3.301 20 0 FGADRP C[NH+](C)CC1(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)CCCCC1 ZINC000460290667 501783023 /nfs/dbraw/zinc/78/30/23/501783023.db2.gz QYRYHTCXTLVIHI-SFHVURJKSA-N 2 0 361.530 3.435 20 0 FGADRP CC[N@H+](CCNC(=O)N(C)[C@@H]1CCC[NH+](Cc2ccccc2)C1)C(C)C ZINC000470735517 501786236 /nfs/dbraw/zinc/78/62/36/501786236.db2.gz YNXDPDQKMWHPNZ-HXUWFJFHSA-N 2 0 360.546 3.023 20 0 FGADRP C[N@H+](CC1CC1)C[C@H]1CC[NH+](C[C@H](O)Cc2ccc3ccccc3c2)C1 ZINC000470774016 501798181 /nfs/dbraw/zinc/79/81/81/501798181.db2.gz QRQOFUJUOMXDIW-NFBKMPQASA-N 2 0 352.522 3.407 20 0 FGADRP CCCN(CC[NH+]1CCCCCC1)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000460407231 501818263 /nfs/dbraw/zinc/81/82/63/501818263.db2.gz ZTPCBNFDNKQECS-IHWFROFDSA-N 2 0 364.578 3.299 20 0 FGADRP C[C@H](C(=O)NCC1([NH+]2CCSCC2)CCCCC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000485427345 501818606 /nfs/dbraw/zinc/81/86/06/501818606.db2.gz CFYMVQLLNPXIRP-KZNAEPCWSA-N 2 0 367.603 3.116 20 0 FGADRP C[C@@H]1C[C@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C[N@@H+]1Cc1ccccc1 ZINC000467700774 501848278 /nfs/dbraw/zinc/84/82/78/501848278.db2.gz NRGREKKMLXDYJP-NRSPTQNISA-N 2 0 369.553 3.420 20 0 FGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@@H](C)c2nc(C(F)(F)F)cs2)CC1 ZINC000467747521 501858457 /nfs/dbraw/zinc/85/84/57/501858457.db2.gz UALSFEBIQGGNMJ-STQMWFEESA-N 2 0 364.481 3.086 20 0 FGADRP C[C@@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)c1nc(C(F)(F)F)cs1 ZINC000467752819 501860894 /nfs/dbraw/zinc/86/08/94/501860894.db2.gz MIPKGLKPCVKPQY-GFCCVEGCSA-N 2 0 364.481 3.086 20 0 FGADRP CCCN(CC[NH+]1CCCCCC1)C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000460673889 501892807 /nfs/dbraw/zinc/89/28/07/501892807.db2.gz GTXJDRMIOWYMRS-UHFFFAOYSA-N 2 0 364.578 3.158 20 0 FGADRP CC[NH+]1CCC(NC(=O)C[NH+]2CCC(c3ccc(Cl)cc3)CC2)CC1 ZINC000481837304 501895793 /nfs/dbraw/zinc/89/57/93/501895793.db2.gz JKDZAXRUBJOGMT-UHFFFAOYSA-N 2 0 363.933 3.120 20 0 FGADRP CC[NH+]1CCN(c2ccc(C[NH2+][C@H](c3cccnc3)C3CCC3)cn2)CC1 ZINC000481917345 501917838 /nfs/dbraw/zinc/91/78/38/501917838.db2.gz HBNRYYLYXIDMLH-QFIPXVFZSA-N 2 0 365.525 3.250 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N(CC[NH+](C)C)C1CCCC1)c1ccco1 ZINC000468042872 501938717 /nfs/dbraw/zinc/93/87/17/501938717.db2.gz OVAQNMCZIGFSMR-GOSISDBHSA-N 2 0 364.534 3.178 20 0 FGADRP O=C(N[C@@H]1CC[N@H+](CC2CCCC2)C1)[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000464351559 501964288 /nfs/dbraw/zinc/96/42/88/501964288.db2.gz LVRDIUVOCREOLN-FGZHOGPDSA-N 2 0 369.553 3.279 20 0 FGADRP Cc1ccc([C@@H](CNC(=O)NCC(C)(C)C[NH+]2CCCC2)[NH+](C)C)cc1 ZINC000478409575 501972005 /nfs/dbraw/zinc/97/20/05/501972005.db2.gz FEAWLLQSUVPKIO-LJQANCHMSA-N 2 0 360.546 3.019 20 0 FGADRP CC(C)[C@H](C(=O)NCCCC[NH+]1CCC(Cc2ccccc2)CC1)[NH+](C)C ZINC000471268903 501974383 /nfs/dbraw/zinc/97/43/83/501974383.db2.gz UIKSLDCCFDTKIZ-JOCHJYFZSA-N 2 0 373.585 3.424 20 0 FGADRP CC(C)(CNC(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1)C[NH+]1CCCC1 ZINC000478416615 501974732 /nfs/dbraw/zinc/97/47/32/501974732.db2.gz OWSPMHVGGZMESA-HXUWFJFHSA-N 2 0 372.557 3.245 20 0 FGADRP C[C@H]([NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1)c1ccc(F)cc1F ZINC000482114242 501978368 /nfs/dbraw/zinc/97/83/68/501978368.db2.gz MLRNRDGCFCXVQI-INIZCTEOSA-N 2 0 360.452 3.223 20 0 FGADRP CC(C)[NH+]1CCC(N(C)C(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2)CC1 ZINC000468180676 501979754 /nfs/dbraw/zinc/97/97/54/501979754.db2.gz ZCPHXYHDFSACQA-OAQYLSRUSA-N 2 0 357.542 3.372 20 0 FGADRP CC[C@H]([NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1)c1ccc(F)cc1 ZINC000482121075 501981072 /nfs/dbraw/zinc/98/10/72/501981072.db2.gz KVFROBZCDSLLRX-NRFANRHFSA-N 2 0 356.489 3.474 20 0 FGADRP COC(=O)CC1CCC([NH2+]CC2(N3CCC(OC)CC3)CCCC2)CC1 ZINC000599028712 506286137 /nfs/dbraw/zinc/28/61/37/506286137.db2.gz VWNMWRYFXQWSLB-UHFFFAOYSA-N 2 0 366.546 3.122 20 0 FGADRP COCCN1CCC[C@@H]1C[NH2+][C@H]1CCc2c1cc(Br)cc2F ZINC000482240164 502015977 /nfs/dbraw/zinc/01/59/77/502015977.db2.gz CEGNQSLZMQHSCR-DYVFJYSZSA-N 2 0 371.294 3.276 20 0 FGADRP O=C(CC[N@H+](Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2)Nc1cccnc1 ZINC000478560583 502018835 /nfs/dbraw/zinc/01/88/35/502018835.db2.gz YCMUFQHBBNIXKV-SFHVURJKSA-N 2 0 370.522 3.116 20 0 FGADRP C[NH+](C)[C@H](CNC(=O)C[N@@H+]1CC[C@H](c2ccc(F)cc2)C1)c1ccccc1 ZINC000475042685 502032474 /nfs/dbraw/zinc/03/24/74/502032474.db2.gz ZFEILFDJMKDZRL-PZJWPPBQSA-N 2 0 369.484 3.034 20 0 FGADRP CCCN(CCC[NH+](C)C)C(=O)NC[C@@H](CC)[N@@H+]1CCc2ccccc2C1 ZINC000468430428 502056916 /nfs/dbraw/zinc/05/69/16/502056916.db2.gz XZDZPYSUIPXFIZ-OAQYLSRUSA-N 2 0 374.573 3.197 20 0 FGADRP CC(C)c1nc2c([nH]1)C[C@H](C(=O)NC[C@]1([NH+](C)C)CCC[C@@H](C)C1)CC2 ZINC000475107767 502062384 /nfs/dbraw/zinc/06/23/84/502062384.db2.gz GVDAQRWDBZTFIH-ZOCZFRKYSA-N 2 0 360.546 3.265 20 0 FGADRP O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000475120798 502067164 /nfs/dbraw/zinc/06/71/64/502067164.db2.gz PRGOWZOINZHTSM-GOSISDBHSA-N 2 0 362.562 3.100 20 0 FGADRP Cc1cccc(C)c1[C@H](C)[NH2+]CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000475126771 502070050 /nfs/dbraw/zinc/07/00/50/502070050.db2.gz GSJQOULKYJOZON-AZUAARDMSA-N 2 0 353.510 3.373 20 0 FGADRP C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000478738683 502072498 /nfs/dbraw/zinc/07/24/98/502072498.db2.gz KPSDKCLQFIMDHH-NQIIRXRSSA-N 2 0 370.541 3.051 20 0 FGADRP Cc1ccc([C@@H](C)[NH2+]CCCC[NH+]2CCN(c3ncccn3)CC2)c(C)c1 ZINC000482453753 502073818 /nfs/dbraw/zinc/07/38/18/502073818.db2.gz DAJNFIOZVAKPHZ-HXUWFJFHSA-N 2 0 367.541 3.346 20 0 FGADRP Cc1ccccc1[C@H]([NH2+]CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)C1CC1 ZINC000475136455 502075360 /nfs/dbraw/zinc/07/53/60/502075360.db2.gz HSMCZQLKROVPTI-FYYLOGMGSA-N 2 0 365.521 3.455 20 0 FGADRP C[C@@H]([NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1)c1cccc(Cl)c1 ZINC000482458605 502075365 /nfs/dbraw/zinc/07/53/65/502075365.db2.gz TZIKKNUSWXIHCV-QGZVFWFLSA-N 2 0 373.932 3.383 20 0 FGADRP C[C@@H](CNC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)C[NH+]1CCCCC1 ZINC000475140331 502077005 /nfs/dbraw/zinc/07/70/05/502077005.db2.gz RYWNOHAXCRJXKQ-PZJWPPBQSA-N 2 0 372.557 3.024 20 0 FGADRP CC[C@@H](C)[N@H+](C)CCNC(=O)N(CC)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000475168926 502088942 /nfs/dbraw/zinc/08/89/42/502088942.db2.gz BBVWBZDFUUMLDM-UYAOXDASSA-N 2 0 360.546 3.023 20 0 FGADRP CCC(C)(C)[NH2+][C@H](C)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000461429394 502110870 /nfs/dbraw/zinc/11/08/70/502110870.db2.gz NZLGCKGVPVEAOI-RLLQIKCJSA-N 2 0 357.542 3.134 20 0 FGADRP CC(C)(COc1ncccc1Br)[NH2+]CCC[NH+]1CCCCC1 ZINC000482681844 502151390 /nfs/dbraw/zinc/15/13/90/502151390.db2.gz JLDXSDUBALGCQU-UHFFFAOYSA-N 2 0 370.335 3.467 20 0 FGADRP CC[NH+]1CCN(c2ccc(C[NH2+][C@H](C)c3cnn(C(C)C)c3C)cn2)CC1 ZINC000468768950 502175746 /nfs/dbraw/zinc/17/57/46/502175746.db2.gz BAWQJQPSGQEYNY-QGZVFWFLSA-N 2 0 370.545 3.160 20 0 FGADRP CN(C(=O)[C@@H]1CC[NH+](C2CCCCC2)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475546691 502209751 /nfs/dbraw/zinc/20/97/51/502209751.db2.gz DXHFZBDTARLKES-IRLDBZIGSA-N 2 0 369.553 3.374 20 0 FGADRP CC[NH+](CC)CCOCC[NH2+][C@H]1CCCc2nn(-c3ccccc3)cc21 ZINC000479436681 502259796 /nfs/dbraw/zinc/25/97/96/502259796.db2.gz KITFWNAPCFRBIA-FQEVSTJZSA-N 2 0 356.514 3.198 20 0 FGADRP CC(C)C[C@@]1(CO)CCC[NH+]1CCC[N@H+]1CCC[C@@]1(CO)CC(C)C ZINC000475718424 502262928 /nfs/dbraw/zinc/26/29/28/502262928.db2.gz YMBCFLZCDYKGLP-OYRHEFFESA-N 2 0 354.579 3.123 20 0 FGADRP Cc1cc2[nH]c(C[NH2+]Cc3ccnc(OCC[NH+](C)C)c3)cc2c(C)c1 ZINC000479468765 502269018 /nfs/dbraw/zinc/26/90/18/502269018.db2.gz DUCJAJJBGHFTQZ-UHFFFAOYSA-N 2 0 352.482 3.410 20 0 FGADRP CC(C)[N@@H+](C)C[C@H](C)NC(=O)N1CCC[NH+](CC2CCCCC2)CC1 ZINC000462005039 502270594 /nfs/dbraw/zinc/27/05/94/502270594.db2.gz CBSVZQLICWTQFK-SFHVURJKSA-N 2 0 352.567 3.013 20 0 FGADRP C[N@H+](CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)[C@H]1CCC(C)(C)C1 ZINC000483098442 502270861 /nfs/dbraw/zinc/27/08/61/502270861.db2.gz CUCGIPSGUVVQAU-FQEVSTJZSA-N 2 0 357.542 3.409 20 0 FGADRP CCN(C(=O)N[C@@H](C)C[NH+](C)C(C)C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000462010897 502273587 /nfs/dbraw/zinc/27/35/87/502273587.db2.gz MSHNWHXSTQVOTM-ICSRJNTNSA-N 2 0 360.546 3.021 20 0 FGADRP Cc1c([C@H](C)[NH2+][C@@H]2CCN(Cc3ccccc3)C[C@H]2CO)cnn1C(C)C ZINC000469086075 502291497 /nfs/dbraw/zinc/29/14/97/502291497.db2.gz YHJOSSXQLMMXGW-RBDMOPTHSA-N 2 0 370.541 3.306 20 0 FGADRP CC(C)[C@H](CNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)[NH+]1CCCCCC1 ZINC000465559640 502308181 /nfs/dbraw/zinc/30/81/81/502308181.db2.gz AODDKJNYVIYPIF-NXEWRWPSSA-N 2 0 364.578 3.202 20 0 FGADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)NC[C@H](C(CC)CC)[NH+]2CCCC2)C1 ZINC000465563014 502308418 /nfs/dbraw/zinc/30/84/18/502308418.db2.gz FKDGWVPIXKQMRA-UYAOXDASSA-N 2 0 366.594 3.260 20 0 FGADRP CC(C)[NH+](CCN(C)C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(C)C ZINC000472309945 502310077 /nfs/dbraw/zinc/31/00/77/502310077.db2.gz KBKLQJXAFHPMKU-NRFANRHFSA-N 2 0 374.573 3.269 20 0 FGADRP CCC[NH+]1CCC([NH2+]CC2(N3CCOC(C)(C)C3)CCCCC2)CC1 ZINC000462120235 502313546 /nfs/dbraw/zinc/31/35/46/502313546.db2.gz RZURGSGAOGUAQH-UHFFFAOYSA-N 2 0 351.579 3.264 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](C)[C@H](C)c1ccccc1 ZINC000476010594 502357325 /nfs/dbraw/zinc/35/73/25/502357325.db2.gz KGGBILDORSNZTE-IRFCIJBXSA-N 2 0 374.573 3.236 20 0 FGADRP C[C@@H]1CCC[C@](CNC(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)([NH+](C)C)C1 ZINC000465731960 502362869 /nfs/dbraw/zinc/36/28/69/502362869.db2.gz VTYDUFNLRXFZFQ-QFUCXCTJSA-N 2 0 364.578 3.061 20 0 FGADRP C[C@@H]1C[NH+](CCC2CC[NH+](CC[C@@H]3CCCC[N@@H+]3C)CC2)C[C@@H](C)O1 ZINC000472566109 502385969 /nfs/dbraw/zinc/38/59/69/502385969.db2.gz CYYUSYMJIPJJJV-SBHAEUEKSA-N 3 0 351.579 3.072 20 0 FGADRP CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)N[C@@H](C)C1=CC[NH+](C)CC1 ZINC000469433663 502416060 /nfs/dbraw/zinc/41/60/60/502416060.db2.gz HAFBNRAVDWZWBP-GHTZIAJQSA-N 2 0 372.557 3.093 20 0 FGADRP CC(C)c1nc2c([nH]1)C[C@H](C(=O)NCc1ccc(CC[NH+](C)C)cc1)CC2 ZINC000469491167 502438106 /nfs/dbraw/zinc/43/81/06/502438106.db2.gz CGJGXDCRIOHOAL-GOSISDBHSA-N 2 0 368.525 3.059 20 0 FGADRP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)[C@@H]1CCCC[NH+]1Cc1ccccc1 ZINC000469568878 502466446 /nfs/dbraw/zinc/46/64/46/502466446.db2.gz MYAUXHMDRQCBEP-SFTDATJTSA-N 2 0 357.542 3.374 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NCCC[NH+](C)Cc2ccccc2)C[C@@H]1C ZINC000483710893 502470551 /nfs/dbraw/zinc/47/05/51/502470551.db2.gz MJDFWXVBUMIUMA-ICSRJNTNSA-N 2 0 360.546 3.023 20 0 FGADRP CCN(C(=O)N[C@H](C)C[NH+](C)C(C)C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000462538054 502480064 /nfs/dbraw/zinc/48/00/64/502480064.db2.gz MSHNWHXSTQVOTM-UYAOXDASSA-N 2 0 360.546 3.021 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N(C)[C@H]1CC[N@H+](CC)[C@H](C)C1)c1ccco1 ZINC000483778090 502489913 /nfs/dbraw/zinc/48/99/13/502489913.db2.gz UMIUKRFJIUVALU-FGTMMUONSA-N 2 0 364.534 3.177 20 0 FGADRP C[C@H](CNC(=O)NCCC[N@@H+]1CCCC[C@H]1C)[NH+](C)Cc1ccccc1 ZINC000476480495 502500783 /nfs/dbraw/zinc/50/07/83/502500783.db2.gz ADOMJBQVDRRUBQ-RTBURBONSA-N 2 0 360.546 3.071 20 0 FGADRP CCC[N@H+](CC)CCNC(=O)N1CCC(C[NH+](C)Cc2ccccc2)CC1 ZINC000473180232 502537097 /nfs/dbraw/zinc/53/70/97/502537097.db2.gz BWJYCZACCRYKRT-UHFFFAOYSA-N 2 0 374.573 3.272 20 0 FGADRP C[C@@H](C[NH2+]Cc1ccc(-c2cccc(F)c2F)o1)CN1CC[NH+](C)CC1 ZINC000480340189 502542082 /nfs/dbraw/zinc/54/20/82/502542082.db2.gz GIBVJFCCORVWKC-HNNXBMFYSA-N 2 0 363.452 3.198 20 0 FGADRP CCCCN(CC)C(=O)CN[C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000469783972 502545005 /nfs/dbraw/zinc/54/50/05/502545005.db2.gz SRLNBGDFDNVSJT-NGRWLJPCSA-N 2 0 359.558 3.381 20 0 FGADRP CC[N@H+](Cc1ccc(C(=O)NC[C@]2([NH+](C)C)CCSC2)cc1)C(C)C ZINC000480368523 502549122 /nfs/dbraw/zinc/54/91/22/502549122.db2.gz ZNDHAMVSSCJIFM-HXUWFJFHSA-N 2 0 363.571 3.084 20 0 FGADRP C[C@H](C[NH+]1CCCCC1)NC(=O)N[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000487894082 502558747 /nfs/dbraw/zinc/55/87/47/502558747.db2.gz HOIJKVKNYJRVDH-SVFBPWRDSA-N 2 0 372.557 3.071 20 0 FGADRP CCC[C@H]([NH2+]C(C)C)C(=O)NC[C@@H](c1ccc(OC)cc1)[NH+]1CCCC1 ZINC000473296575 502560831 /nfs/dbraw/zinc/56/08/31/502560831.db2.gz ULEHDFMWAJDSSX-PMACEKPBSA-N 2 0 361.530 3.115 20 0 FGADRP C[N@@H+](CCC(=O)Nc1cccnc1)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000484082585 502565083 /nfs/dbraw/zinc/56/50/83/502565083.db2.gz KXLFPPPVVPNNNN-UHFFFAOYSA-N 2 0 367.497 3.044 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)CC1(C[NH3+])CC1)c1ccc(C(F)(F)F)cc1 ZINC000582603620 506321137 /nfs/dbraw/zinc/32/11/37/506321137.db2.gz JZFBBYZOIQUNFX-MRXNPFEDSA-N 2 0 371.447 3.334 20 0 FGADRP CCC[NH+]1CCC(NC(=O)NC[C@H](C2CC2)[N@H+](C)Cc2ccccc2)CC1 ZINC000476698635 502567477 /nfs/dbraw/zinc/56/74/77/502567477.db2.gz GAGAWAXOROSPHA-OAQYLSRUSA-N 2 0 372.557 3.071 20 0 FGADRP CCOc1c(Br)cc(C[N@H+](C)CC(C)(C)C[NH3+])cc1OC ZINC000469855799 502569266 /nfs/dbraw/zinc/56/92/66/502569266.db2.gz XUVLGGCHJRNKBG-UHFFFAOYSA-N 2 0 359.308 3.273 20 0 FGADRP COc1ccc(-c2nc(CN3CCC(OCCC[NH3+])CC3)cs2)cc1 ZINC000469867434 502575922 /nfs/dbraw/zinc/57/59/22/502575922.db2.gz SBTSFSHDWLNAKX-UHFFFAOYSA-N 2 0 361.511 3.149 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC000462812469 502584060 /nfs/dbraw/zinc/58/40/60/502584060.db2.gz NYQZWCGAEGIASI-JRGCBEDISA-N 2 0 355.526 3.030 20 0 FGADRP CC[NH+](CC)CCOc1ccc(-c2noc([C@@H]3C[N@H+](C)C[C@@H]3C)n2)cc1 ZINC000462822926 502588079 /nfs/dbraw/zinc/58/80/79/502588079.db2.gz XXMPVCPMUJVMNR-MAUKXSAKSA-N 2 0 358.486 3.122 20 0 FGADRP COc1ccc([C@H](C)[NH2+][C@@H]2CCN(Cc3ccccc3)C[C@H]2CO)cc1 ZINC000484161188 502589631 /nfs/dbraw/zinc/58/96/31/502589631.db2.gz NNLXEZRQVRSNNG-RBDMOPTHSA-N 2 0 354.494 3.229 20 0 FGADRP C[NH+](C)CCOc1ccccc1N1CC[NH+](CCc2ccccc2F)CC1 ZINC000469968438 502612477 /nfs/dbraw/zinc/61/24/77/502612477.db2.gz AWRCQDNIHKZRIM-UHFFFAOYSA-N 2 0 371.500 3.131 20 0 FGADRP CC[C@H](C)[NH2+][C@H](CNC(=O)NC[C@H](C)C[NH+]1CCCCC1)c1ccco1 ZINC000484290291 502615987 /nfs/dbraw/zinc/61/59/87/502615987.db2.gz BZMSKMBEVUMGMB-OKZBNKHCSA-N 2 0 364.534 3.130 20 0 FGADRP c1ccc(-c2cnc(NCCC[NH+]3CCN(c4cc[nH+]cc4)CC3)cn2)cc1 ZINC000488073323 502617744 /nfs/dbraw/zinc/61/77/44/502617744.db2.gz WSOSJCVBVLDZFJ-UHFFFAOYSA-N 2 0 374.492 3.163 20 0 FGADRP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@H+]2CC[C@H](CC(C)C)C2)CC1 ZINC000466718629 502652462 /nfs/dbraw/zinc/65/24/62/502652462.db2.gz UGZAVFZOPXKHNL-OAQYLSRUSA-N 2 0 371.569 3.397 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H](NC[C@@H](C(C)C)[NH+]2CCC(C)CC2)[C@H](C)C1 ZINC000480763954 502663975 /nfs/dbraw/zinc/66/39/75/502663975.db2.gz WZFVMFBBQASBDO-FSSWDIPSSA-N 2 0 367.622 3.470 20 0 FGADRP CC[NH+](CC)CC1CC[NH+]([C@H](C)C(=O)N2c3ccccc3C[C@H]2C)CC1 ZINC000488358552 502692683 /nfs/dbraw/zinc/69/26/83/502692683.db2.gz IZBNLPVQTKQTTN-QZTJIDSGSA-N 2 0 357.542 3.407 20 0 FGADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCC(=O)NC1CCCCC1 ZINC000480893242 502698452 /nfs/dbraw/zinc/69/84/52/502698452.db2.gz CMLJYHWGNUIQSM-GHTZIAJQSA-N 2 0 357.542 3.326 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC000488487330 502729723 /nfs/dbraw/zinc/72/97/23/502729723.db2.gz ZIWRNIRDTCLWPM-GCJKJVERSA-N 2 0 365.521 3.389 20 0 FGADRP C[C@@H]([NH3+])[C@@H]1CC[N@H+](CCC(=O)Nc2ccc(Oc3ccccc3)cc2)C1 ZINC000484919652 502777764 /nfs/dbraw/zinc/77/77/64/502777764.db2.gz UXMQQILCMDHHBU-IAGOWNOFSA-N 2 0 353.466 3.477 20 0 FGADRP CC(C)[NH+](CCCNC(=O)NCC(C)(C)[N@@H+]1CCC[C@H](C)C1)C(C)C ZINC000470506593 502799165 /nfs/dbraw/zinc/79/91/65/502799165.db2.gz GAMGKHSAVQLFPK-SFHVURJKSA-N 2 0 354.583 3.305 20 0 FGADRP CC[C@@H](C(=O)N(CC)C[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+](CC)CC ZINC000470531045 502806588 /nfs/dbraw/zinc/80/65/88/502806588.db2.gz UFCYTULZMLNSLF-SFTDATJTSA-N 2 0 359.558 3.477 20 0 FGADRP C[C@@H](C(=O)N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1)[NH+]1CCCCCC1 ZINC000470553157 502810708 /nfs/dbraw/zinc/81/07/08/502810708.db2.gz ISYJJAHSWKJVPB-UXHICEINSA-N 2 0 357.542 3.374 20 0 FGADRP C[C@H](C(=O)N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1)[NH+]1CCCCCC1 ZINC000470553159 502810847 /nfs/dbraw/zinc/81/08/47/502810847.db2.gz ISYJJAHSWKJVPB-WOJBJXKFSA-N 2 0 357.542 3.374 20 0 FGADRP C[C@H](CNC(=O)N1CC[N@@H+](C2CCC2)C[C@H](C)C1)[NH+](C)Cc1ccccc1 ZINC000488961083 502848049 /nfs/dbraw/zinc/84/80/49/502848049.db2.gz OAAJDCHGKPVWQA-RBUKOAKNSA-N 2 0 372.557 3.023 20 0 FGADRP COC(=O)c1ccc(C[NH+]2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)nc1 ZINC000509374393 502885930 /nfs/dbraw/zinc/88/59/30/502885930.db2.gz TZJJXWZDZIQPDF-KRWDZBQOSA-N 2 0 359.514 3.345 20 0 FGADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NCC[NH+](C)C1CCCC1 ZINC000489180985 502895433 /nfs/dbraw/zinc/89/54/33/502895433.db2.gz HDHYSQNELLOVOY-RXVVDRJESA-N 2 0 372.557 3.071 20 0 FGADRP CCC[NH+]1CCN(c2ccccc2C[N@H+](C)C[C@@H]2CCCC[C@@H]2O)CC1 ZINC000497122829 502923229 /nfs/dbraw/zinc/92/32/29/502923229.db2.gz BPXRHKQKMZVHDV-UNMCSNQZSA-N 2 0 359.558 3.202 20 0 FGADRP C[N@H+](CC1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000501073520 502928993 /nfs/dbraw/zinc/92/89/93/502928993.db2.gz ADDBJPXPGHQMLJ-OAQYLSRUSA-N 2 0 364.493 3.035 20 0 FGADRP CC[C@@H](C)[NH2+][C@@H](CNC(=O)N1CCC(CC[NH+](C)C)CC1)c1ccco1 ZINC000509566207 502936176 /nfs/dbraw/zinc/93/61/76/502936176.db2.gz DHHCENVFPWTZSP-AEFFLSMTSA-N 2 0 364.534 3.082 20 0 FGADRP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCC[C@H](CN2CCOCC2)C1 ZINC000513430280 502936377 /nfs/dbraw/zinc/93/63/77/502936377.db2.gz OYTIBILKJUDVPG-JOCHJYFZSA-N 2 0 373.585 3.189 20 0 FGADRP C[N@@H+]1C[C@@H](NC(=O)c2ccc(Nc3cc[nH+]cc3)cc2)[C@@H](c2ccccc2)C1 ZINC000497400847 502949529 /nfs/dbraw/zinc/94/95/29/502949529.db2.gz JTZLQWONDVPXKM-FGZHOGPDSA-N 2 0 372.472 3.075 20 0 FGADRP CC(C)[C@H](CNC(=O)NCC[NH+](C(C)C)C(C)C)[NH+]1CCC(C)CC1 ZINC000501184127 502954747 /nfs/dbraw/zinc/95/47/47/502954747.db2.gz BTHCHWXIQDTIEE-IBGZPJMESA-N 2 0 354.583 3.161 20 0 FGADRP CC(C)N1CC[C@H](NC(=O)[C@@H]([NH3+])c2ccccc2)[C@H]1c1ccc(F)c(F)c1 ZINC000497499545 502973420 /nfs/dbraw/zinc/97/34/20/502973420.db2.gz YNYNQJCKKLOXNR-SLFFLAALSA-N 2 0 373.447 3.305 20 0 FGADRP C[NH+](C)[C@H](CNC(=O)NCC1([NH+](C)C)CCCCC1)C1CCCCC1 ZINC000501330556 502985602 /nfs/dbraw/zinc/98/56/02/502985602.db2.gz TXLVEGJHXFQFGH-GOSISDBHSA-N 2 0 352.567 3.061 20 0 FGADRP C[C@H]1CCCC[N@@H+]1CCCNC(=O)NC[C@H](C1CCCCC1)[NH+](C)C ZINC000501350940 502990775 /nfs/dbraw/zinc/99/07/75/502990775.db2.gz YKQMOZJDSSINOS-PKOBYXMFSA-N 2 0 352.567 3.061 20 0 FGADRP C[NH+](C)[C@@H](CNC(=O)NC[C@@H](C1CCCCC1)[NH+](C)C)c1ccccc1 ZINC000501362787 502992932 /nfs/dbraw/zinc/99/29/32/502992932.db2.gz PSRPTZLNLWTXLM-PMACEKPBSA-N 2 0 360.546 3.099 20 0 FGADRP C[C@H](CNC(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1)[N@@H+]1CCCC[C@H]1C ZINC000501535668 503032291 /nfs/dbraw/zinc/03/22/91/503032291.db2.gz XARAPVSAAMPLCW-SFHLNBCPSA-N 2 0 372.557 3.386 20 0 FGADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N[C@H]1CC[NH+](Cc2ccccc2)CC1(C)C ZINC000513916554 503047756 /nfs/dbraw/zinc/04/77/56/503047756.db2.gz JHPVSKURJJIJIO-NSHGMRRFSA-N 2 0 357.542 3.276 20 0 FGADRP CC(C)[C@@H](CNC(=O)N[C@@H](C)C[NH+]1CCCCC1)[NH+]1CCCCCC1 ZINC000501783567 503079569 /nfs/dbraw/zinc/07/95/69/503079569.db2.gz DJLGTSSALAHJIM-RBUKOAKNSA-N 2 0 352.567 3.061 20 0 FGADRP C[NH+](C)C1(CNC(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)CCCCC1 ZINC000501801346 503082089 /nfs/dbraw/zinc/08/20/89/503082089.db2.gz SXJGLOOCEYHYAW-HXUWFJFHSA-N 2 0 372.557 3.387 20 0 FGADRP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000498054562 503096793 /nfs/dbraw/zinc/09/67/93/503096793.db2.gz PDGAJDRWHRGENZ-NQIIRXRSSA-N 2 0 357.542 3.087 20 0 FGADRP Cc1ccc([C@H]2C[C@@H](C)[N@H+](CC(=O)NC3CC[NH+](C(C)C)CC3)C2)cc1 ZINC000490088762 503107037 /nfs/dbraw/zinc/10/70/37/503107037.db2.gz JEJDGHZCWDKZBB-QUCCMNQESA-N 2 0 357.542 3.162 20 0 FGADRP C[C@H](CNC(=O)N[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1)[NH+]1CCC[C@@H](C)C1 ZINC000514211019 503113973 /nfs/dbraw/zinc/11/39/73/503113973.db2.gz MMUVGUGMTVQMHX-XCJLJZCSSA-N 2 0 372.557 3.242 20 0 FGADRP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000514222109 503117058 /nfs/dbraw/zinc/11/70/58/503117058.db2.gz MFXKUXWRZUVGEZ-HPFXQQBRSA-N 2 0 366.575 3.016 20 0 FGADRP Cc1ccc([C@@H](CNC(=O)NCC[NH+]2CCC(C)CC2)[NH+]2CCCC2)cc1 ZINC000514238181 503122329 /nfs/dbraw/zinc/12/23/29/503122329.db2.gz CFSYZDWNPLLDFB-OAQYLSRUSA-N 2 0 372.557 3.163 20 0 FGADRP Cc1nccn1C[C@@H](C)CNC(=O)N[C@@H](C)[C@@H](c1ccccc1C)[NH+](C)C ZINC000490212247 503131940 /nfs/dbraw/zinc/13/19/40/503131940.db2.gz KIPYFHGPSJXXEA-KNBMTAEXSA-N 2 0 371.529 3.127 20 0 FGADRP CC[N@@H+]1C[C@@H](C)N(C(=O)NCc2ccccc2C[NH+](C)C(C)C)C[C@@H]1C ZINC000498231653 503137682 /nfs/dbraw/zinc/13/76/82/503137682.db2.gz NWUXKKUAFJSMJJ-ZWKOTPCHSA-N 2 0 360.546 3.151 20 0 FGADRP Cc1ccccc1[C@@H]([C@@H](C)NC(=O)c1ccc(C[NH+](C)C)cc1)[NH+](C)C ZINC000510538942 503137976 /nfs/dbraw/zinc/13/79/76/503137976.db2.gz LRIOKLUAPWGQSW-DYESRHJHSA-N 2 0 353.510 3.478 20 0 FGADRP Cc1cc(OCCC[C@H](C)[NH2+]C[C@@H](C)N2CC[NH+](C)CC2)ccc1Cl ZINC000510654292 503165067 /nfs/dbraw/zinc/16/50/67/503165067.db2.gz WTYGHGRJXDGNKU-ZWKOTPCHSA-N 2 0 367.965 3.421 20 0 FGADRP Cc1cc(OCCC[C@H](C)[NH2+]CCCN2CC[NH+](C)CC2)ccc1Cl ZINC000510673192 503169794 /nfs/dbraw/zinc/16/97/94/503169794.db2.gz ZPIAOKNPAHPPTA-SFHVURJKSA-N 2 0 367.965 3.423 20 0 FGADRP CC[C@@H](C)[NH2+][C@@H](CNC(=O)NCCC1CC[NH+](CC)CC1)c1ccco1 ZINC000498393133 503177905 /nfs/dbraw/zinc/17/79/05/503177905.db2.gz XYHKJBZZEDKVQT-AEFFLSMTSA-N 2 0 364.534 3.130 20 0 FGADRP CC[NH+]1CCC(CCNC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)CC1 ZINC000498405174 503180401 /nfs/dbraw/zinc/18/04/01/503180401.db2.gz ZBWZYTMSMHHQPR-RXVVDRJESA-N 2 0 372.557 3.071 20 0 FGADRP Cc1cc(OCCC[C@@H](C)[NH2+][C@H](C)CN2CC[NH+](C)CC2)ccc1Cl ZINC000510754040 503185700 /nfs/dbraw/zinc/18/57/00/503185700.db2.gz SNRHLQIAEMZYKZ-QZTJIDSGSA-N 2 0 367.965 3.421 20 0 FGADRP CC[NH+](CC)C[C@H](C)NC(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000506935938 503196994 /nfs/dbraw/zinc/19/69/94/503196994.db2.gz UQJDLIIMQYCNDH-GBESFXJTSA-N 2 0 352.567 3.013 20 0 FGADRP C[C@H](NC(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000514948886 503233380 /nfs/dbraw/zinc/23/33/80/503233380.db2.gz BSGWOHWRPBKLJS-CEWLAPEOSA-N 2 0 369.553 3.278 20 0 FGADRP C[C@H](NC(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000514948887 503233451 /nfs/dbraw/zinc/23/34/51/503233451.db2.gz BSGWOHWRPBKLJS-JBACZVJFSA-N 2 0 369.553 3.278 20 0 FGADRP CCCC[N@H+](C)CCNC(=O)NCc1ccccc1C[NH+]1CCC[C@H](C)C1 ZINC000490828269 503233621 /nfs/dbraw/zinc/23/36/21/503233621.db2.gz PZDWTLHASOBIMB-IBGZPJMESA-N 2 0 374.573 3.450 20 0 FGADRP CCCC[N@H+](C)CCNC(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000490869159 503238896 /nfs/dbraw/zinc/23/88/96/503238896.db2.gz JOGCODNWUJVCRM-UHFFFAOYSA-N 2 0 374.573 3.450 20 0 FGADRP CC1CC[NH+](C2CCC(NC(=O)NCC[N@@H+]3CCC[C@H](C)C3)CC2)CC1 ZINC000502632178 503241177 /nfs/dbraw/zinc/24/11/77/503241177.db2.gz TVBGNLOMNQSIFW-HDYDNRTBSA-N 2 0 364.578 3.061 20 0 FGADRP C[C@H]1C[N@H+](CCOc2ccc3ccccc3c2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000491023195 503261580 /nfs/dbraw/zinc/26/15/80/503261580.db2.gz URSZMMCTIZZHTD-WMZHIEFXSA-N 2 0 367.537 3.176 20 0 FGADRP C[C@H]1CCC[N@H+](CCCCNC(=O)NCc2ccc(C[NH+](C)C)cc2)C1 ZINC000502823003 503281532 /nfs/dbraw/zinc/28/15/32/503281532.db2.gz DCZACKZQKVPYBH-SFHVURJKSA-N 2 0 360.546 3.060 20 0 FGADRP CC1CC[NH+](CCCCNC(=O)NCC2([NH+](C)C)CCCCCC2)CC1 ZINC000502824687 503281887 /nfs/dbraw/zinc/28/18/87/503281887.db2.gz PCWJEIDSICRXFZ-UHFFFAOYSA-N 2 0 366.594 3.452 20 0 FGADRP CN1CCC[C@H](C[NH2+][C@@H]2CCC[C@@H](S(C)(=O)=O)C2)[C@H]1c1cccs1 ZINC000511245127 503286567 /nfs/dbraw/zinc/28/65/67/503286567.db2.gz ZIWPFZZBMCSKTC-KONPQCLYSA-N 2 0 370.584 3.076 20 0 FGADRP CC[N@@H+]1CCC[C@H](CNC(=O)N[C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000507405867 503295169 /nfs/dbraw/zinc/29/51/69/503295169.db2.gz LVBYZIITWBZXQH-NRSPTQNISA-N 2 0 372.557 3.071 20 0 FGADRP C[C@H](NC(=O)NCc1cccc(C[NH+]2CCCCCC2)c1)[C@H]1CCC[NH2+]C1 ZINC000515221432 503296456 /nfs/dbraw/zinc/29/64/56/503296456.db2.gz RIQSKKSIRKEIEH-RXVVDRJESA-N 2 0 372.557 3.250 20 0 FGADRP CC(C)[NH+]1CCC(N(C)CC(=O)Nc2ccc(OC(F)(F)F)cc2)CC1 ZINC000502910679 503305882 /nfs/dbraw/zinc/30/58/82/503305882.db2.gz BUSVMTCYVHYGBP-UHFFFAOYSA-N 2 0 373.419 3.328 20 0 FGADRP CCc1cccnc1[C@@H](C)[NH2+]Cc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000507484367 503306823 /nfs/dbraw/zinc/30/68/23/503306823.db2.gz JGABZTOLXWWVRS-GOSISDBHSA-N 2 0 352.526 3.242 20 0 FGADRP C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)N3CC[NH+](C)CC[C@@H]3C)cc2)C1 ZINC000502937571 503310947 /nfs/dbraw/zinc/31/09/47/503310947.db2.gz WBHKKVHQKZSBJM-MOPGFXCFSA-N 2 0 372.557 3.154 20 0 FGADRP C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N2CC[NH+](C)CC[C@@H]2C)C1 ZINC000502941978 503312113 /nfs/dbraw/zinc/31/21/13/503312113.db2.gz SLOSNYVGASIVLN-OALUTQOASA-N 2 0 372.557 3.154 20 0 FGADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc2c(c1)oc(=O)n2C ZINC000511467184 503327250 /nfs/dbraw/zinc/32/72/50/503327250.db2.gz YBLKEOXTJLHTQY-QFBILLFUSA-N 2 0 365.477 3.132 20 0 FGADRP Cc1ccccc1[C@H]([C@H](C)NC(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1)[NH+](C)C ZINC000499093778 503332170 /nfs/dbraw/zinc/33/21/70/503332170.db2.gz MFNGLCRGLXBRIM-DMUMMCEESA-N 2 0 360.546 3.158 20 0 FGADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)NCC(C)(C)[NH+]1CCC[C@H](C)C1 ZINC000503058670 503338439 /nfs/dbraw/zinc/33/84/39/503338439.db2.gz LMHIYSOCKCELIZ-ZWKOTPCHSA-N 2 0 352.567 3.061 20 0 FGADRP C[C@H](C(=O)NCC1(C)CC[NH+](C)CC1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000507669012 503343344 /nfs/dbraw/zinc/34/33/44/503343344.db2.gz TYMRTASLJPCLMX-LJQANCHMSA-N 2 0 371.569 3.178 20 0 FGADRP O=C(CC[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1)N1CCCc2ccccc21 ZINC000503119558 503350657 /nfs/dbraw/zinc/35/06/57/503350657.db2.gz IIVRWNJKTQCGEE-FQEVSTJZSA-N 2 0 355.526 3.306 20 0 FGADRP CC(C)C[C@H](CNC(=O)N1CC[NH+]2CCC1CC2)[NH2+][C@H](C)c1ccccc1 ZINC000499196643 503353121 /nfs/dbraw/zinc/35/31/21/503353121.db2.gz WETRQPVCWHONTE-UYAOXDASSA-N 2 0 372.557 3.242 20 0 FGADRP COCc1ccccc1/C=C(\C)C[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000511603632 503353577 /nfs/dbraw/zinc/35/35/77/503353577.db2.gz BPXSYMQLMLPYBT-RAPVRKQDSA-N 2 0 358.526 3.204 20 0 FGADRP CCC[C@H]([NH2+]C(C)C)C(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000503302390 503386017 /nfs/dbraw/zinc/38/60/17/503386017.db2.gz MCUWMMDKBFDJCV-FQEVSTJZSA-N 2 0 360.546 3.313 20 0 FGADRP CC(C)C[C@H]([NH2+]C1CC(c2ccccc2Cl)C1)C(=O)NCC[NH+](C)C ZINC000511857358 503400948 /nfs/dbraw/zinc/40/09/48/503400948.db2.gz BIXWVLDJYMHPIO-RJYAGPCLSA-N 2 0 365.949 3.268 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cc(Cl)ccc1Cl ZINC000499510504 503421759 /nfs/dbraw/zinc/42/17/59/503421759.db2.gz WDROPARWMIUWCD-HNNXBMFYSA-N 2 0 372.340 3.482 20 0 FGADRP O=C(NCCCCC[NH+]1CCCC1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000508122676 503436152 /nfs/dbraw/zinc/43/61/52/503436152.db2.gz XIVFQFFXFRYGKM-NRFANRHFSA-N 2 0 357.542 3.281 20 0 FGADRP CC[NH+]1CCN(c2ccc(C[NH2+][C@H](C)[C@@H](OC)c3ccccc3)cn2)CC1 ZINC000493938447 503462436 /nfs/dbraw/zinc/46/24/36/503462436.db2.gz YSCSAZKLDXVWTH-XMSQKQJNSA-N 2 0 368.525 3.089 20 0 FGADRP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)N(C)CC[NH+](C(C)C)C(C)C)C1 ZINC000508265064 503465377 /nfs/dbraw/zinc/46/53/77/503465377.db2.gz ITVALWRNECMGRW-IBGZPJMESA-N 2 0 354.583 3.115 20 0 FGADRP CC(C)[NH+]1CCN(C(=O)NCC2([NH2+][C@H](C)c3ccccc3)CCCC2)CC1 ZINC000503740885 503467740 /nfs/dbraw/zinc/46/77/40/503467740.db2.gz QVZHVKWRJPKNJD-LJQANCHMSA-N 2 0 372.557 3.386 20 0 FGADRP C[C@@H]1CC[C@@H](c2ccccc2)[N@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000512182630 503479516 /nfs/dbraw/zinc/47/95/16/503479516.db2.gz FLJJRJJQOIAFOQ-UTKZUKDTSA-N 2 0 355.526 3.203 20 0 FGADRP C[C@@H]1[C@H](NC(=O)c2ccccc2C[NH+](C)C)CC[N@@H+]1Cc1ccccc1 ZINC000494067934 503482955 /nfs/dbraw/zinc/48/29/55/503482955.db2.gz CUOWMJMGYFKGQH-DYESRHJHSA-N 2 0 351.494 3.141 20 0 FGADRP CC(C)[NH+](CCN(C)C(=O)NCCC[N@H+](C)C1CCCCC1)C(C)C ZINC000504008613 503509731 /nfs/dbraw/zinc/50/97/31/503509731.db2.gz IOWNWNKXKZIZNA-UHFFFAOYSA-N 2 0 354.583 3.401 20 0 FGADRP CCC(CC)[C@H](CNC(=O)NC1CC[NH+](CC(C)C)CC1)[NH+]1CCCC1 ZINC000504033700 503513431 /nfs/dbraw/zinc/51/34/31/503513431.db2.gz GDQJUVAVAISMFB-FQEVSTJZSA-N 2 0 366.594 3.307 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)[C@@H]2CCC[NH+]2C2CC2)C1 ZINC000494458449 503545124 /nfs/dbraw/zinc/54/51/24/503545124.db2.gz SASKSWXRAFIHSN-SVMVAKDDSA-N 2 0 369.553 3.408 20 0 FGADRP C[C@H](NC(=O)NC1CCC(C[NH+](C)C)CC1)[C@@H](c1ccccc1)[NH+](C)C ZINC000500102866 503554858 /nfs/dbraw/zinc/55/48/58/503554858.db2.gz ANLMSLGIJLHXIV-KTLDDFEXSA-N 2 0 360.546 3.097 20 0 FGADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CCc3c(F)cc(F)cc3[C@H]2C)CC1 ZINC000500118188 503558503 /nfs/dbraw/zinc/55/85/03/503558503.db2.gz SOMMLPRNWZZZMR-MRXNPFEDSA-N 2 0 351.485 3.300 20 0 FGADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CCc3c(F)cc(F)cc3[C@@H]2C)CC1 ZINC000500118187 503558528 /nfs/dbraw/zinc/55/85/28/503558528.db2.gz SOMMLPRNWZZZMR-INIZCTEOSA-N 2 0 351.485 3.300 20 0 FGADRP CC[NH+](CC)Cc1cccc(CNC(=O)NC[C@H](C)[N@@H+]2CCC[C@H](C)C2)c1 ZINC000500134110 503561991 /nfs/dbraw/zinc/56/19/91/503561991.db2.gz RECUHPKXAOAEPT-OALUTQOASA-N 2 0 374.573 3.448 20 0 FGADRP CCCN(CCC[NH+](C)C)C(=O)N[C@@H](C)[C@@H](c1ccccc1C)[NH+](C)C ZINC000508845834 503575690 /nfs/dbraw/zinc/57/56/90/503575690.db2.gz KVOWCAVPSNNDPS-ICSRJNTNSA-N 2 0 362.562 3.360 20 0 FGADRP CCC[NH+]1CCC(CNC(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000500230978 503584392 /nfs/dbraw/zinc/58/43/92/503584392.db2.gz AARNIEJEFYKSNX-NRFANRHFSA-N 2 0 357.542 3.137 20 0 FGADRP Cc1ccccc1[C@H]([C@H](C)NC(=O)N1CCC[C@H]([NH+]2CCCC2)C1)[NH+](C)C ZINC000508894674 503592125 /nfs/dbraw/zinc/59/21/25/503592125.db2.gz GDJMRAMEFDCTHL-ZJOUEHCJSA-N 2 0 372.557 3.256 20 0 FGADRP C[C@H](NC(=O)N1CCC(CCC[NH+](C)C)CC1)[C@H](c1ccccc1)[NH+](C)C ZINC000508901421 503594900 /nfs/dbraw/zinc/59/49/00/503594900.db2.gz YQNARIJNNGBPDG-GHTZIAJQSA-N 2 0 374.573 3.441 20 0 FGADRP O=C1CCCCN1CCC[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000512654074 503604129 /nfs/dbraw/zinc/60/41/29/503604129.db2.gz JCFCNSNEWXKXNJ-BHDDXSALSA-N 2 0 369.553 3.279 20 0 FGADRP CCCOc1ccc(C[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cn1 ZINC000582719604 506383146 /nfs/dbraw/zinc/38/31/46/506383146.db2.gz MJBDTVQVKWFTLC-RXVVDRJESA-N 2 0 353.466 3.216 20 0 FGADRP CSc1ccc(OC[C@H](O)C[NH2+]C[C@@H]2CCC[N@H+](CC(C)C)C2)cc1 ZINC000517025448 503646796 /nfs/dbraw/zinc/64/67/96/503646796.db2.gz SNTUURXGESPZRD-ZWKOTPCHSA-N 2 0 366.571 3.106 20 0 FGADRP Cc1ccccc1[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1)C1CCCC1 ZINC000495078937 503661744 /nfs/dbraw/zinc/66/17/44/503661744.db2.gz LNCFSKOLRLFWFX-CTNGQTDRSA-N 2 0 357.542 3.403 20 0 FGADRP CCC1(C[NH2+]C2CCN(CCOC)CC2)CC[NH+](Cc2ccccc2)CC1 ZINC000540142259 503687070 /nfs/dbraw/zinc/68/70/70/503687070.db2.gz WAKMNESVKGDIHB-UHFFFAOYSA-N 2 0 373.585 3.379 20 0 FGADRP COc1ccc([C@H](OC)[C@H](C)[NH2+]Cc2cn(-c3cc[nH+]cc3)nc2C)cc1 ZINC000543236999 503692122 /nfs/dbraw/zinc/69/21/22/503692122.db2.gz LEFFPLLMWZWSNO-HRAATJIYSA-N 2 0 366.465 3.450 20 0 FGADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)Nc1cccc(C(F)F)c1Cl ZINC000527132304 503692549 /nfs/dbraw/zinc/69/25/49/503692549.db2.gz JHLGGEOQTBYCIR-UHFFFAOYSA-N 2 0 362.852 3.235 20 0 FGADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](CO)Cc2ccccc2C(F)(F)F)[C@H](C)C1 ZINC000540158775 503693090 /nfs/dbraw/zinc/69/30/90/503693090.db2.gz YESUSBVIYBIQKW-RKVPGOIHSA-N 2 0 358.448 3.176 20 0 FGADRP COCC[C@@H]([NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(F)cc1 ZINC000540169603 503696004 /nfs/dbraw/zinc/69/60/04/503696004.db2.gz FLBIOZKHQSXDDX-FUHIMQAGSA-N 2 0 352.494 3.382 20 0 FGADRP COCc1cccc(OCC2(C[N@@H+]3CC[C@H]4[C@@H](CCC[NH+]4C)C3)CC2)c1 ZINC000536731994 503701905 /nfs/dbraw/zinc/70/19/05/503701905.db2.gz WDTWFTBPGNNCNY-FPOVZHCZSA-N 2 0 358.526 3.408 20 0 FGADRP C[C@@H]1C[N@@H+](CCC2CC[NH+](Cc3ccc4c(c3)OCCO4)CC2)C[C@H](C)O1 ZINC000533023574 503703619 /nfs/dbraw/zinc/70/36/19/503703619.db2.gz RBERGZIGLALGGE-HDICACEKSA-N 2 0 374.525 3.169 20 0 FGADRP C[C@@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)sc(=O)n3C)CN1Cc1ccccc1 ZINC000527230396 503729222 /nfs/dbraw/zinc/72/92/22/503729222.db2.gz APGRAGBFTOPEHA-CRAIPNDOSA-N 2 0 367.518 3.353 20 0 FGADRP C[C@H]([NH2+]CCc1c[nH]c2ncccc12)c1ccc(OCC[NH+](C)C)cc1 ZINC000536832011 503734222 /nfs/dbraw/zinc/73/42/22/503734222.db2.gz IJKOIGOLYARHEV-INIZCTEOSA-N 2 0 352.482 3.397 20 0 FGADRP C[C@@H]([NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1ccc(-n2cccn2)cc1 ZINC000536865567 503743622 /nfs/dbraw/zinc/74/36/22/503743622.db2.gz YPRFCVRCBVBDBJ-GUDVDZBRSA-N 2 0 356.514 3.412 20 0 FGADRP Cc1cccc(CN(CC[NH+](C)C)C(=O)NCC[C@@H](C)[NH+]2CCCCC2)c1 ZINC000543381382 503746006 /nfs/dbraw/zinc/74/60/06/503746006.db2.gz XSIUQFXQIXPVES-HXUWFJFHSA-N 2 0 374.573 3.333 20 0 FGADRP C[C@@H]1CC[C@H]([NH2+]Cc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)[C@@H](C)C1 ZINC000543405472 503757115 /nfs/dbraw/zinc/75/71/15/503757115.db2.gz XINKYULUWROKSN-SEONNTABSA-N 2 0 357.542 3.298 20 0 FGADRP Cc1nn(C)cc1C[NH2+]CCc1ccc(OCC[N@H+]2C[C@H](C)[C@H](C)C2)cc1 ZINC000537023782 503779473 /nfs/dbraw/zinc/77/94/73/503779473.db2.gz MQISBNWPTPQAPG-HDICACEKSA-N 2 0 370.541 3.027 20 0 FGADRP CC[NH+]1CCC(NC(=O)C[N@H+](CCc2ccccc2)C2CCCC2)CC1 ZINC000533286553 503791399 /nfs/dbraw/zinc/79/13/99/503791399.db2.gz HJPUHIRVPRXOMZ-UHFFFAOYSA-N 2 0 357.542 3.074 20 0 FGADRP CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@@H+]2C2CCCC2)(c2ccccc2)CC1 ZINC000530024891 503798617 /nfs/dbraw/zinc/79/86/17/503798617.db2.gz AFNOBJMRHUOFPX-OAQYLSRUSA-N 2 0 369.553 3.173 20 0 FGADRP C[C@@H](C(=O)N(C)CC1CC[NH+](C)CC1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000517680548 503805325 /nfs/dbraw/zinc/80/53/25/503805325.db2.gz FCAPCWIOABYQIJ-IBGZPJMESA-N 2 0 371.569 3.130 20 0 FGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@@H]2CCCOc3cc(Cl)ccc32)CC1 ZINC000537116155 503807064 /nfs/dbraw/zinc/80/70/64/503807064.db2.gz LVDVOIWFQWTLDO-QFBILLFUSA-N 2 0 365.949 3.417 20 0 FGADRP Cc1nn(-c2cc[nH+]cc2)cc1CN1CCC([C@@](C)(O)C(F)(F)F)CC1 ZINC000546658225 503827558 /nfs/dbraw/zinc/82/75/58/503827558.db2.gz KGOHWMYLGQGNNY-QGZVFWFLSA-N 2 0 368.403 3.101 20 0 FGADRP Cc1nn(-c2cc[nH+]cc2)cc1CN1CCC([C@](C)(O)C(F)(F)F)CC1 ZINC000546658224 503827681 /nfs/dbraw/zinc/82/76/81/503827681.db2.gz KGOHWMYLGQGNNY-KRWDZBQOSA-N 2 0 368.403 3.101 20 0 FGADRP COC(=O)c1coc(C[NH2+]CC[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)c1 ZINC000543634402 503835766 /nfs/dbraw/zinc/83/57/66/503835766.db2.gz ZCCQXKCFWIZPEJ-SJLPKXTDSA-N 2 0 356.466 3.457 20 0 FGADRP C[C@@H](NC(=O)CN(C)C[C@H]1CCC[N@H+](C)C1)c1ccc(Cl)cc1Cl ZINC000533431527 503842454 /nfs/dbraw/zinc/84/24/54/503842454.db2.gz OTNWQZPBVWXQST-KGLIPLIRSA-N 2 0 372.340 3.444 20 0 FGADRP C[C@@H](CNC(=O)NCc1cccc(C[NH+]2CCCCCC2)c1)[N@H+](C)C1CC1 ZINC000517910713 503864229 /nfs/dbraw/zinc/86/42/29/503864229.db2.gz LARRITPKNRBSMR-SFHVURJKSA-N 2 0 372.557 3.345 20 0 FGADRP CC(C)(C)C[C@H]([NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1ccc(F)cc1 ZINC000537293256 503871335 /nfs/dbraw/zinc/87/13/35/503871335.db2.gz KEQKVYYSQONRLL-HKUYNNGSSA-N 2 0 363.521 3.480 20 0 FGADRP Cc1nc(C(C)C)sc1[C@@H](C)[NH2+][C@@H](CC(C)C)C(=O)NCC[NH+](C)C ZINC000540744265 503877154 /nfs/dbraw/zinc/87/71/54/503877154.db2.gz DMPZGEXFYAFINK-ZBFHGGJFSA-N 2 0 368.591 3.318 20 0 FGADRP Fc1ccc(-c2cnc(C[NH+]3CCC(CO[C@@H]4CC[NH2+]C4)CC3)o2)cc1 ZINC000530241487 503890547 /nfs/dbraw/zinc/89/05/47/503890547.db2.gz QIGGSIJHLJETCT-GOSISDBHSA-N 2 0 359.445 3.071 20 0 FGADRP Brc1cccc(C[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)c1 ZINC000530242418 503891119 /nfs/dbraw/zinc/89/11/19/503891119.db2.gz URIQSDORICXAMP-QGZVFWFLSA-N 2 0 353.304 3.040 20 0 FGADRP FC(F)(F)COc1cccc(C[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)c1 ZINC000530244168 503892240 /nfs/dbraw/zinc/89/22/40/503892240.db2.gz ZGYJWIMTCJQUOR-SFHVURJKSA-N 2 0 372.431 3.218 20 0 FGADRP Clc1cccc(-c2n[nH]cc2C[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)c1 ZINC000530249090 503894422 /nfs/dbraw/zinc/89/44/22/503894422.db2.gz UDYDOYCGVQMDLU-LJQANCHMSA-N 2 0 374.916 3.321 20 0 FGADRP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)N1CCC[NH+](Cc2ccccc2)CC1 ZINC000518081831 503905054 /nfs/dbraw/zinc/90/50/54/503905054.db2.gz YZKXMFCFSWYIDM-BGYRXZFFSA-N 2 0 372.557 3.167 20 0 FGADRP C[NH+]1CCN(CCC[NH2+][C@H](Cc2cccnc2)c2ccc(Cl)cc2)CC1 ZINC000546869477 503909228 /nfs/dbraw/zinc/90/92/28/503909228.db2.gz ZIEYTIMTGWOGSX-OAQYLSRUSA-N 2 0 372.944 3.246 20 0 FGADRP CCO[C@@H]1C[C@H]([NH2+]C2CC[NH+]([C@@H]3CCC[C@@H](C)C3)CC2)[C@@]12CCCO2 ZINC000546961334 503938614 /nfs/dbraw/zinc/93/86/14/503938614.db2.gz GDQRYJYIDCPRGR-RQXATKFSSA-N 2 0 350.547 3.346 20 0 FGADRP C[N@@H+]1CCCC12CCN(C(=O)[C@@H]1CCCC[NH+]1Cc1ccccc1)CC2 ZINC000546974809 503944083 /nfs/dbraw/zinc/94/40/83/503944083.db2.gz GRPUQBJSVCQERN-FQEVSTJZSA-N 2 0 355.526 3.128 20 0 FGADRP CC(C)[NH+]1CCC(N2CC[NH+](C[C@H]3CCc4ccccc4C3)CC2)CC1 ZINC000541059470 503990539 /nfs/dbraw/zinc/99/05/39/503990539.db2.gz IZKVACJZQHIBJE-FQEVSTJZSA-N 2 0 355.570 3.282 20 0 FGADRP C[C@@H]([NH2+]C[C@@H](n1cccn1)C(F)(F)F)c1cccc(OCC[NH+](C)C)c1 ZINC000527929667 504002919 /nfs/dbraw/zinc/00/29/19/504002919.db2.gz DYULVEZUGBYCLQ-RHSMWYFYSA-N 2 0 370.419 3.278 20 0 FGADRP C[C@H]([NH2+]C[C@@H]1c2ccccc2C(=O)N1C)c1ccc(OCC[NH+](C)C)cc1 ZINC000528002301 504034408 /nfs/dbraw/zinc/03/44/08/504034408.db2.gz IJRPQVWWGGPNMJ-HRAATJIYSA-N 2 0 367.493 3.105 20 0 FGADRP Cc1c[nH+]ccc1N1CCC(C(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)CC1 ZINC000530730257 504067446 /nfs/dbraw/zinc/06/74/46/504067446.db2.gz QZIVQUSARHBAFA-HXUWFJFHSA-N 2 0 370.541 3.083 20 0 FGADRP COc1ccccc1[C@H](CO)[NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000537982088 504102410 /nfs/dbraw/zinc/10/24/10/504102410.db2.gz JXOAFEYXHACWAG-JXFKEZNVSA-N 2 0 358.482 3.020 20 0 FGADRP C[C@H]1C[C@H](N(C)C(=O)[C@]23C[NH2+]C[C@@H]2CCCC3)CC[N@@H+]1Cc1ccccc1 ZINC000518985192 504110829 /nfs/dbraw/zinc/11/08/29/504110829.db2.gz QNCKBHWHNVROOZ-VXPBHUBDSA-N 2 0 369.553 3.278 20 0 FGADRP O=C1CC[C@@H]([NH2+]CC2CCN(c3cc[nH+]cc3)CC2)c2ccccc2N1 ZINC000541541755 504170795 /nfs/dbraw/zinc/17/07/95/504170795.db2.gz DKHSZJDCHCRQDA-LJQANCHMSA-N 2 0 350.466 3.361 20 0 FGADRP C[NH+](C)CCOc1ccccc1C[NH2+][C@H]1CCC(=O)Nc2ccccc21 ZINC000541547393 504171669 /nfs/dbraw/zinc/17/16/69/504171669.db2.gz GMGVSFUOASWDHP-SFHVURJKSA-N 2 0 353.466 3.190 20 0 FGADRP CC[N@@H+]1CCC[C@H](CNC(=O)[C@H](C)[NH+]2CCC(Cc3ccccc3)CC2)C1 ZINC000544555687 504172650 /nfs/dbraw/zinc/17/26/50/504172650.db2.gz JQWZYZFIDOAEHR-SIKLNZKXSA-N 2 0 371.569 3.178 20 0 FGADRP CO[C@@H]1CC[N@H+](Cc2cncc(C[NH+]3CC[C@H](OC)C[C@@H]3C)c2)[C@H](C)C1 ZINC000519311727 504188970 /nfs/dbraw/zinc/18/89/70/504188970.db2.gz NQNJYZFSBGGCQI-ALFLXDJESA-N 2 0 361.530 3.080 20 0 FGADRP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000519382360 504208437 /nfs/dbraw/zinc/20/84/37/504208437.db2.gz XUCHZYVWWFQULJ-WCIQWLHISA-N 2 0 364.578 3.013 20 0 FGADRP c1cc2c(cc1C[N@@H+]1CCC[C@H]1c1ccc3c(c1)OCCO3)C[NH2+]CC2 ZINC000519411533 504215600 /nfs/dbraw/zinc/21/56/00/504215600.db2.gz KTSWPKPEGMYTGQ-FQEVSTJZSA-N 2 0 350.462 3.441 20 0 FGADRP CC[C@@H]1CN(C(=O)NC[C@H]2CC[NH+](C(C)C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000544683970 504216887 /nfs/dbraw/zinc/21/68/87/504216887.db2.gz ZEDLDVNYCWXDGQ-NHCUHLMSSA-N 2 0 372.557 3.023 20 0 FGADRP FC(F)(F)c1ncccc1C[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000528439287 504225699 /nfs/dbraw/zinc/22/56/99/504225699.db2.gz MMHTZJKKRKFUSV-UHFFFAOYSA-N 2 0 371.447 3.425 20 0 FGADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000519483981 504230623 /nfs/dbraw/zinc/23/06/23/504230623.db2.gz PHGPKERRXIFDFT-LEWJYISDSA-N 2 0 372.557 3.215 20 0 FGADRP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000519489335 504232037 /nfs/dbraw/zinc/23/20/37/504232037.db2.gz LQXPNMSNLUMUND-FQEVSTJZSA-N 2 0 360.546 3.202 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1sccc1C[NH+](C)C ZINC000519602067 504269335 /nfs/dbraw/zinc/26/93/35/504269335.db2.gz JMZHRUBHAUJWGN-VQIMIIECSA-N 2 0 371.550 3.450 20 0 FGADRP CN(CCC(=O)N1CC[N@H+](Cc2ccccc2)C(C)(C)C1)c1cc[nH+]cc1 ZINC000541854836 504278205 /nfs/dbraw/zinc/27/82/05/504278205.db2.gz PPUKADZOXGQSHR-UHFFFAOYSA-N 2 0 366.509 3.031 20 0 FGADRP Cc1c2ccccc2oc1[C@H](C)[NH2+][C@@H](CC(C)C)C(=O)NCC[NH+](C)C ZINC000538545346 504279610 /nfs/dbraw/zinc/27/96/10/504279610.db2.gz YUGUAOJNXGWLJB-WMZOPIPTSA-N 2 0 359.514 3.484 20 0 FGADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H](O)COc2cccc3ccccc32)C[C@@H]1C ZINC000531378471 504285994 /nfs/dbraw/zinc/28/59/94/504285994.db2.gz NZIIFSAFXZCOGL-IHPCNDPISA-N 2 0 356.510 3.384 20 0 FGADRP CCCCNC(=O)[C@H](C)[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000534967997 504296109 /nfs/dbraw/zinc/29/61/09/504296109.db2.gz WKZJJPSZAVWOCN-IBGZPJMESA-N 2 0 357.542 3.279 20 0 FGADRP C[C@H]([NH2+]Cc1ccc(C[NH+](C)C)cc1)[C@H](c1ccccc1)N1CCOCC1 ZINC000535003810 504309021 /nfs/dbraw/zinc/30/90/21/504309021.db2.gz BYYAXBQTFKXRIS-WMZHIEFXSA-N 2 0 367.537 3.300 20 0 FGADRP OC[C@H]1CCC2(CCOCC2)C[N@@H+]1Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000528643057 504309695 /nfs/dbraw/zinc/30/96/95/504309695.db2.gz ZGDNVGNLVKBAAW-JOCHJYFZSA-N 2 0 372.553 3.426 20 0 FGADRP C[C@H]1C[C@H]([NH2+]CC2CC[NH+](CC(=O)NC(C)(C)C)CC2)c2ccccc21 ZINC000519721360 504315952 /nfs/dbraw/zinc/31/59/52/504315952.db2.gz FFHFEWZRCPOJBS-JXFKEZNVSA-N 2 0 357.542 3.451 20 0 FGADRP CCC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000528657040 504316084 /nfs/dbraw/zinc/31/60/84/504316084.db2.gz QOGKVXKAYRXDQB-CWJKEVGVSA-N 2 0 357.542 3.134 20 0 FGADRP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC000548065341 504316665 /nfs/dbraw/zinc/31/66/65/504316665.db2.gz YUXUTNVOJNLCBO-GOSISDBHSA-N 2 0 372.557 3.378 20 0 FGADRP CCC[NH+]1CCN(c2ccccc2CNC[C@H](C)C[NH+]2CCCC2)CC1 ZINC000531531984 504336623 /nfs/dbraw/zinc/33/66/23/504336623.db2.gz MXFMAJOIXNWMIS-FQEVSTJZSA-N 2 0 358.574 3.040 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)Nc2ccc3c(c2)OCC[NH2+]C3)C1 ZINC000528715242 504346074 /nfs/dbraw/zinc/34/60/74/504346074.db2.gz NMNBOPXIAADRHV-IYBDPMFKSA-N 2 0 374.529 3.047 20 0 FGADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CCC[C@@]3(CCc4ccccc4O3)C2)CC1 ZINC000528728062 504351809 /nfs/dbraw/zinc/35/18/09/504351809.db2.gz IJQQXENYHABMEY-HSZRJFAPSA-N 2 0 371.569 3.262 20 0 FGADRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCC[NH+](C(C)(C)C)CC2)C1 ZINC000519923065 504384076 /nfs/dbraw/zinc/38/40/76/504384076.db2.gz GJVAATNUUOZKCK-QGZVFWFLSA-N 2 0 352.567 3.013 20 0 FGADRP CC[NH+]1CCC(Nc2ccc(NC(=O)CC[NH+]3CCCCC3)cc2)CC1 ZINC000545189463 504390910 /nfs/dbraw/zinc/39/09/10/504390910.db2.gz MAJLJUDSHPAAEU-UHFFFAOYSA-N 2 0 358.530 3.397 20 0 FGADRP CC[NH+](CC)CCN(Cc1ccccc1)C(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000519974468 504391996 /nfs/dbraw/zinc/39/19/96/504391996.db2.gz BDLJDTXIYXTBSF-FQEVSTJZSA-N 2 0 374.573 3.414 20 0 FGADRP CC(C)O[C@@H]1C[C@H]([NH2+][C@H](CN2CC[NH+](C)CC2)c2ccccc2)C1(C)C ZINC000545201117 504393550 /nfs/dbraw/zinc/39/35/50/504393550.db2.gz MYUHVDDPSFFSFW-QHAWAJNXSA-N 2 0 359.558 3.157 20 0 FGADRP C[C@H](CCN1C(=O)c2ccccc2C1=O)[NH2+]CCCC[N@@H+]1CCCC[C@H]1C ZINC000545246262 504413595 /nfs/dbraw/zinc/41/35/95/504413595.db2.gz JCKUMTBZDRIYCI-QZTJIDSGSA-N 2 0 371.525 3.305 20 0 FGADRP C[C@H](CC[NH+](C)C)NC(=O)NCc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000520114761 504414322 /nfs/dbraw/zinc/41/43/22/504414322.db2.gz HCQFVWKKFKCUGW-CEXWTWQISA-N 2 0 374.573 3.304 20 0 FGADRP CCC[NH+]1CCN(c2ccccc2C[NH2+]Cc2ccc(OC)c(O)c2)CC1 ZINC000531785413 504423399 /nfs/dbraw/zinc/42/33/99/504423399.db2.gz AEWUELSRSLVKJU-UHFFFAOYSA-N 2 0 369.509 3.223 20 0 FGADRP C[C@H]1C[C@H](NC(=O)N2CCC[NH+](C(C)(C)C)CC2)C[N@@H+]1Cc1ccccc1 ZINC000531804753 504430275 /nfs/dbraw/zinc/43/02/75/504430275.db2.gz SKEPVQTWRMATBC-ICSRJNTNSA-N 2 0 372.557 3.165 20 0 FGADRP COC1CC[NH+](C(C)(C)CN[C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000548483523 504461963 /nfs/dbraw/zinc/46/19/63/504461963.db2.gz CDDVQYRHYLNWGH-FPOVZHCZSA-N 2 0 373.585 3.376 20 0 FGADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]C[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000539093316 504470368 /nfs/dbraw/zinc/47/03/68/504470368.db2.gz KXMCIIIYUGQGBZ-RVKKMQEKSA-N 2 0 366.347 3.205 20 0 FGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC000520348477 504474282 /nfs/dbraw/zinc/47/42/82/504474282.db2.gz WWPQILZLHQMEMM-OTYNDTSQSA-N 2 0 355.526 3.173 20 0 FGADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H](C)c2sccc2Br)CC1 ZINC000531947527 504482563 /nfs/dbraw/zinc/48/25/63/504482563.db2.gz VXADBXXQRRAEIO-CHWSQXEVSA-N 2 0 360.365 3.187 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N1CC[NH+](CCC(C)(C)C)CC1 ZINC000520406025 504491274 /nfs/dbraw/zinc/49/12/74/504491274.db2.gz SJCVEYBEVBLQBC-LJQANCHMSA-N 2 0 366.594 3.404 20 0 FGADRP C[C@@H](CCNC(=O)[C@H]1CCCN1Cc1ccc(F)cc1)[NH+]1CCCCC1 ZINC000542454710 504495023 /nfs/dbraw/zinc/49/50/23/504495023.db2.gz MWJLLOKPZZFAPZ-FXAWDEMLSA-N 2 0 361.505 3.171 20 0 FGADRP C[C@@H]1C[C@@H]([NH2+]Cc2cc(C(F)(F)F)ccc2N2CC[NH+](C)CC2)CCO1 ZINC000539215429 504499978 /nfs/dbraw/zinc/49/99/78/504499978.db2.gz NIPPAMARKDMOSV-PBHICJAKSA-N 2 0 371.447 3.114 20 0 FGADRP COc1ccc(C2CCC([NH2+]CCCN3CCC[N@H+](C)CC3)CC2)cc1 ZINC000542475576 504505456 /nfs/dbraw/zinc/50/54/56/504505456.db2.gz ZVLZNIYVQLETFF-UHFFFAOYSA-N 2 0 359.558 3.339 20 0 FGADRP CC[C@@H](CN[C@@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21)[NH+]1CCCC1 ZINC000539364919 504541840 /nfs/dbraw/zinc/54/18/40/504541840.db2.gz JHGWVCBSOUOHMT-AZUAARDMSA-N 2 0 357.542 3.439 20 0 FGADRP CC1CC[NH+](CC(=O)NCc2ccccc2C[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000532134389 504545617 /nfs/dbraw/zinc/54/56/17/504545617.db2.gz ATCQSNMXBUCDLH-IBGZPJMESA-N 2 0 357.542 3.267 20 0 FGADRP CCC[C@H]([NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1)c1cccnc1 ZINC000542663098 504569365 /nfs/dbraw/zinc/56/93/65/504569365.db2.gz YJSWSAGMESQRIU-IBGZPJMESA-N 2 0 360.546 3.139 20 0 FGADRP C[NH+]1CCC([C@@H]2CCN(C(=O)c3ccc(Nc4cc[nH+]cc4)cc3)C2)CC1 ZINC000535899469 504576737 /nfs/dbraw/zinc/57/67/37/504576737.db2.gz CJOCPYCHFGEBRF-LJQANCHMSA-N 2 0 364.493 3.051 20 0 FGADRP CC1(C)CCCC[C@@H]1[NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000532226029 504578894 /nfs/dbraw/zinc/57/88/94/504578894.db2.gz QGMWKCICLRWUNC-PMACEKPBSA-N 2 0 357.542 3.442 20 0 FGADRP CC(C)N1CC[C@H](NC(=O)[C@@]2(C)CC[NH2+]C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000520806291 504586081 /nfs/dbraw/zinc/58/60/81/504586081.db2.gz NFAKUTALODYROM-SCTDSRPQSA-N 2 0 367.896 3.119 20 0 FGADRP CCCCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CC[NH+](CC)CC3)nc2)C1(C)C ZINC000539498486 504591241 /nfs/dbraw/zinc/59/12/41/504591241.db2.gz JDFTXVFPDOCRBZ-WOJBJXKFSA-N 2 0 374.573 3.297 20 0 FGADRP CC[NH+]1CCN([C@H](C)C[NH2+]Cc2cc(-c3ccccc3)ccc2OC)CC1 ZINC000532300279 504603208 /nfs/dbraw/zinc/60/32/08/504603208.db2.gz LTIGFMKALVYZHD-LJQANCHMSA-N 2 0 367.537 3.478 20 0 FGADRP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)NCCCC[NH+]1CCC[C@@H](C)C1 ZINC000520887484 504603403 /nfs/dbraw/zinc/60/34/03/504603403.db2.gz WPUQHAIPWSHRFO-UXHICEINSA-N 2 0 366.594 3.452 20 0 FGADRP C[C@@H]1C[N@@H+](CCC2CC[NH+](Cc3cccc4c3OCCO4)CC2)C[C@H](C)O1 ZINC000539861311 504721194 /nfs/dbraw/zinc/72/11/94/504721194.db2.gz KAIJTWXIHHXAQT-HDICACEKSA-N 2 0 374.525 3.169 20 0 FGADRP O=C(Nc1ccc(CC[NH+]2CCCCC2)cc1)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000521385050 504724059 /nfs/dbraw/zinc/72/40/59/504724059.db2.gz ABCUZSDPCPQOBT-SFTDATJTSA-N 2 0 370.541 3.463 20 0 FGADRP CCCC[N@H+](C)CC1CCN(C(=O)NCC2(C[NH+](C)C)CCCC2)CC1 ZINC000546154732 504728967 /nfs/dbraw/zinc/72/89/67/504728967.db2.gz BPRHQDQGLFHFQI-UHFFFAOYSA-N 2 0 366.594 3.262 20 0 FGADRP CC[N@H+](CCC1CCN(C(=O)N[C@H]2CC[NH+](C)[C@@H](C)C2)CC1)CC1CC1 ZINC000536584625 504765753 /nfs/dbraw/zinc/76/57/53/504765753.db2.gz VYZVCDWBWIYLKT-PXNSSMCTSA-N 2 0 364.578 3.013 20 0 FGADRP CC(=O)c1ccccc1NC(=O)CCCN1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000562358139 504794184 /nfs/dbraw/zinc/79/41/84/504794184.db2.gz ZCHAJRVBEZUKKT-LJQANCHMSA-N 2 0 371.525 3.416 20 0 FGADRP CC[NH+](CC)Cc1ccc(CNC(=O)[C@@H]2C[NH2+]Cc3ccccc32)cc1 ZINC000556112938 504799845 /nfs/dbraw/zinc/79/98/45/504799845.db2.gz VSZAOJVWBBLEPY-OAQYLSRUSA-N 2 0 351.494 3.032 20 0 FGADRP CCc1oc(C[NH2+]CC2CC[NH+](CCC(C)C)CC2)cc1C(=O)OC ZINC000549401513 504810988 /nfs/dbraw/zinc/81/09/88/504810988.db2.gz KNZQATMZBCUJQC-UHFFFAOYSA-N 2 0 350.503 3.476 20 0 FGADRP COc1ccccc1[C@@H](CNC(=O)CC[N@@H+]1CCCC[C@@H]1C)[NH+]1CCCC1 ZINC000559261215 504813002 /nfs/dbraw/zinc/81/30/02/504813002.db2.gz LBINZIZOJDNPIU-AZUAARDMSA-N 2 0 373.541 3.213 20 0 FGADRP C[C@@H]([NH2+]CCCN1CC[NH+](Cc2ccccc2)CC1)c1ccncc1F ZINC000556233107 504824351 /nfs/dbraw/zinc/82/43/51/504824351.db2.gz FTXHTIYGBFPYTA-GOSISDBHSA-N 2 0 356.489 3.079 20 0 FGADRP C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)[C@H](n2cncn2)C1 ZINC000556243331 504827245 /nfs/dbraw/zinc/82/72/45/504827245.db2.gz BOZMGUBCYKWUEV-BVOGOJNSSA-N 2 0 353.514 3.120 20 0 FGADRP CC[NH+](CC)CCOc1ccc(C(=O)N2C[C@H]([NH+]3CCCC3)C[C@H]2C)cc1 ZINC000553098845 504827224 /nfs/dbraw/zinc/82/72/24/504827224.db2.gz ZKGDNFDWWBLOBC-UYAOXDASSA-N 2 0 373.541 3.106 20 0 FGADRP C[C@H](C(=O)N1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000553172694 504844656 /nfs/dbraw/zinc/84/46/56/504844656.db2.gz YYEVDEBPDCDMAC-VLVHOKLOSA-N 2 0 369.553 3.372 20 0 FGADRP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](Cc2c[nH]nc2-c2ccc(Cl)cc2)CC1 ZINC000565351293 504862809 /nfs/dbraw/zinc/86/28/09/504862809.db2.gz FGNDGWLUWMAXID-UYAOXDASSA-N 2 0 374.916 3.448 20 0 FGADRP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000553328962 504885206 /nfs/dbraw/zinc/88/52/06/504885206.db2.gz PFYDYGBOSIQVPJ-SJBKTWHCSA-N 2 0 371.569 3.383 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1CCC(=O)N(CC[NH+](C)C)Cc1ccc(F)c(F)c1 ZINC000549755358 504889256 /nfs/dbraw/zinc/88/92/56/504889256.db2.gz VIGLPOIKOBZHEU-MRXNPFEDSA-N 2 0 367.484 3.120 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1CCC(=O)N1CCC[NH+](Cc2ccccc2)C[C@@H]1C ZINC000549766122 504891992 /nfs/dbraw/zinc/89/19/92/504891992.db2.gz GOVUXKHSQJQBEO-UXHICEINSA-N 2 0 357.542 3.374 20 0 FGADRP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@@H]2[NH2+]C1(c2ccc3c(c2)OCO3)CC1 ZINC000565533629 504915108 /nfs/dbraw/zinc/91/51/08/504915108.db2.gz FPMKWESFTYRWJV-LAUBAEHRSA-N 2 0 364.445 3.250 20 0 FGADRP C[NH+]1CCC(CC[NH2+]C[C@@H](O)Cn2c3ccccc3c3ccccc32)CC1 ZINC000565536216 504915745 /nfs/dbraw/zinc/91/57/45/504915745.db2.gz YGRIIZHFDSDWHZ-LJQANCHMSA-N 2 0 365.521 3.477 20 0 FGADRP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+][C@@H](Cc1ccccc1Cl)C1CC1 ZINC000559767052 504925079 /nfs/dbraw/zinc/92/50/79/504925079.db2.gz NIPVZZPUUVZRIX-ICSRJNTNSA-N 2 0 350.934 3.488 20 0 FGADRP Cc1cccc(-c2n[nH]cc2C[NH+]2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)c1 ZINC000562751394 504933416 /nfs/dbraw/zinc/93/34/16/504933416.db2.gz QTTOMGDFEZTUGJ-PZJWPPBQSA-N 2 0 354.498 3.103 20 0 FGADRP CC[C@@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@H+](C)Cc1ccccc1 ZINC000550128116 504972990 /nfs/dbraw/zinc/97/29/90/504972990.db2.gz YJWSTJTYIUAJGZ-YADHBBJMSA-N 2 0 365.521 3.288 20 0 FGADRP C[C@H](NC(=O)NCCC[N@@H+]1CCCC[C@H]1C)[C@@H](c1ccccc1)[NH+](C)C ZINC000562878775 504973894 /nfs/dbraw/zinc/97/38/94/504973894.db2.gz ZZUBUVQAHTUPPP-HBFSDRIKSA-N 2 0 360.546 3.242 20 0 FGADRP Brc1cccc2c(C[NH2+][C@H]3CCc4nc[nH]c4C3)ccnc12 ZINC000560146101 505004076 /nfs/dbraw/zinc/00/40/76/505004076.db2.gz DVRPEQKMRDTJBF-LBPRGKRZSA-N 2 0 357.255 3.368 20 0 FGADRP CNC(=O)C(C)(C)C[NH2+][C@@H]1CCCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000556885989 505006564 /nfs/dbraw/zinc/00/65/64/505006564.db2.gz KDNUJPUOQOXSOO-HSALFYBXSA-N 2 0 357.542 3.039 20 0 FGADRP O[C@@H](C[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)COc1ccc(-c2ccccc2)cc1 ZINC000562987324 505010965 /nfs/dbraw/zinc/01/09/65/505010965.db2.gz GTMBCVTXSZYRSR-GCJKJVERSA-N 2 0 366.505 3.167 20 0 FGADRP [NH3+][C@H]1CCO[C@H](C2CC[NH+](Cc3c[nH]nc3-c3cccc(Cl)c3)CC2)C1 ZINC000556963815 505032329 /nfs/dbraw/zinc/03/23/29/505032329.db2.gz JSAJSXNKZDELBN-OALUTQOASA-N 2 0 374.916 3.448 20 0 FGADRP CC(C)[N@@H+]1CCCN(C(=O)CCn2c3ccccc3nc2C2CC2)CC1 ZINC000556966255 505033557 /nfs/dbraw/zinc/03/35/57/505033557.db2.gz IHHFQEOUAGBUGL-UHFFFAOYSA-N 2 0 354.498 3.247 20 0 FGADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)N1CCC([C@H]2CC[NH2+]C2)CC1)c1ccccc1 ZINC000565940745 505033606 /nfs/dbraw/zinc/03/36/06/505033606.db2.gz QYOHFKWQQSZFRE-XLIONFOSSA-N 2 0 372.557 3.147 20 0 FGADRP Clc1cccc(-c2noc(CC[NH2+][C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)n2)c1 ZINC000565945159 505034948 /nfs/dbraw/zinc/03/49/48/505034948.db2.gz XTNLLXQEJQNTND-GVDBMIGSSA-N 2 0 360.889 3.443 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)[C@@H]1C[NH2+]Cc2ccccc21)c1ccsc1 ZINC000563060294 505036726 /nfs/dbraw/zinc/03/67/26/505036726.db2.gz CFRKZVZUHQEDBP-RTBURBONSA-N 2 0 357.523 3.134 20 0 FGADRP O=C(NCc1ccccc1C[NH+]1CCCCC1)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000553975135 505058049 /nfs/dbraw/zinc/05/80/49/505058049.db2.gz YCFANYNJZIFPAJ-WMQCIHAUSA-N 2 0 355.526 3.209 20 0 FGADRP O=C(CC[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2)Nc1cccc(C(F)(F)F)c1 ZINC000563149520 505060716 /nfs/dbraw/zinc/06/07/16/505060716.db2.gz JOGVWGXSNCVLIC-KRWDZBQOSA-N 2 0 355.404 3.110 20 0 FGADRP C[C@H]([NH2+]CCNc1ncc(C(F)(F)F)cc1Cl)[C@@H]1CCC[NH2+]C1 ZINC000566062414 505068925 /nfs/dbraw/zinc/06/89/25/505068925.db2.gz FUUIJLVCENXJLX-WDEREUQCSA-N 2 0 350.816 3.143 20 0 FGADRP C[C@@H]1C[N@@H+](Cc2ccc(C[NH2+][C@H]3COc4ccccc4C3)cc2)C[C@H](C)O1 ZINC000550607120 505072382 /nfs/dbraw/zinc/07/23/82/505072382.db2.gz NTFYAQINOUZFRY-KGVIQGDOSA-N 2 0 366.505 3.389 20 0 FGADRP [NH3+][C@@H]1C[C@H]([NH2+]C2CCN(C(=O)NC3CCCCC3)CC2)c2ccccc21 ZINC000566090749 505077399 /nfs/dbraw/zinc/07/73/99/505077399.db2.gz KNQJNNKNDUYFCJ-UXHICEINSA-N 2 0 356.514 3.228 20 0 FGADRP O=C(NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)c1ccc2c[nH+]cn2c1 ZINC000550648823 505078703 /nfs/dbraw/zinc/07/87/03/505078703.db2.gz IZFWFXNIIROUGW-UHFFFAOYSA-N 2 0 368.868 3.382 20 0 FGADRP C[NH+](C)CCN(Cc1ccccc1F)C(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000566102037 505081323 /nfs/dbraw/zinc/08/13/23/505081323.db2.gz HFWUYHCAKLRAFD-FQEVSTJZSA-N 2 0 357.473 3.196 20 0 FGADRP CC1CC[NH+](Cc2ccccc2CNC(=O)N2CC[C@@H](C)[C@H](C[NH3+])C2)CC1 ZINC000557205120 505092252 /nfs/dbraw/zinc/09/22/52/505092252.db2.gz PEHGGYPJQIFCHV-WIYYLYMNSA-N 2 0 372.557 3.045 20 0 FGADRP [NH3+]Cc1cn([C@@H]2CCC[N@H+](Cc3ccccc3Oc3ccccc3)C2)nn1 ZINC000557339635 505111122 /nfs/dbraw/zinc/11/11/22/505111122.db2.gz YHMXQEZJCWGVBH-LJQANCHMSA-N 2 0 363.465 3.366 20 0 FGADRP Cc1ccc(-c2cc(C[NH+]3CCC([C@H]4OCCC[C@@H]4[NH3+])CC3)on2)cc1 ZINC000557338852 505111224 /nfs/dbraw/zinc/11/12/24/505111224.db2.gz GBXFSFYQBPJCEW-PZJWPPBQSA-N 2 0 355.482 3.368 20 0 FGADRP CCC[C@@H](C)C(=O)NCC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000550837490 505112359 /nfs/dbraw/zinc/11/23/59/505112359.db2.gz YOCHGRWDPQHJBA-AYWYSENESA-N 2 0 357.542 3.324 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2ccccc2-n2ccnn2)[C@H](C)C1 ZINC000560524570 505114991 /nfs/dbraw/zinc/11/49/91/505114991.db2.gz GKBMMFPHZUOJRU-HBFSDRIKSA-N 2 0 371.529 3.055 20 0 FGADRP CCc1ccccc1[C@H]([NH3+])CNC(=O)[C@@H]1C[NH2+]C[C@H]1c1ccc(Cl)cc1 ZINC000563350671 505116961 /nfs/dbraw/zinc/11/69/61/505116961.db2.gz PJKURYLDIHJTJR-XUVXKRRUSA-N 2 0 371.912 3.022 20 0 FGADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+][C@@H](CCO)C2CCOCC2)CC1 ZINC000560548010 505122865 /nfs/dbraw/zinc/12/28/65/505122865.db2.gz BVUBFBBPMOFFSE-HRTMPFAESA-N 2 0 360.542 3.197 20 0 FGADRP Cn1ccnc1[C@@H](NC(=O)NCC1([NH+]2CCCCC2)CCCCC1)C1CC1 ZINC000554254137 505125861 /nfs/dbraw/zinc/12/58/61/505125861.db2.gz XXGPQRMJELQDSQ-SFHVURJKSA-N 2 0 373.545 3.359 20 0 FGADRP CC[NH+](CC)CCOc1ccc(C[NH2+][C@@H]2CCOC2(C)C)cc1OC ZINC000551007816 505142361 /nfs/dbraw/zinc/14/23/61/505142361.db2.gz RHPYGNZWHOLMAL-LJQANCHMSA-N 2 0 350.503 3.073 20 0 FGADRP COc1cc(C[NH+]2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)cc(Cl)c1OC ZINC000563460584 505146481 /nfs/dbraw/zinc/14/64/81/505146481.db2.gz HZEAYFICOMWALL-NVXWUHKLSA-N 2 0 368.905 3.076 20 0 FGADRP COCC[NH+]1CCC(NC[C@@H](c2ccc(CC(C)C)cc2)[NH+](C)C)CC1 ZINC000554404398 505166440 /nfs/dbraw/zinc/16/64/40/505166440.db2.gz WUMMVIFYCROIKG-QFIPXVFZSA-N 2 0 361.574 3.188 20 0 FGADRP C[NH+](C)C[C@H](NC(=O)NC[C@H](c1ccccc1)[NH+](C)C)c1ccc(F)cc1 ZINC000554449229 505176702 /nfs/dbraw/zinc/17/67/02/505176702.db2.gz FHVSBCBUGUPBNO-VQTJNVASSA-N 2 0 372.488 3.031 20 0 FGADRP CC[C@H](Cn1cncn1)[NH2+]Cc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000551270528 505190390 /nfs/dbraw/zinc/19/03/90/505190390.db2.gz OEXOOIRIDKMJIW-LVCYWYKZSA-N 2 0 355.530 3.324 20 0 FGADRP Cc1ccc(Cl)c(OC[C@@H](O)C[NH2+]C[C@@H]2CCC[N@@H+](CC(C)C)C2)c1 ZINC000563618653 505194293 /nfs/dbraw/zinc/19/42/93/505194293.db2.gz ZOFZWFWICAFZME-ROUUACIJSA-N 2 0 368.949 3.346 20 0 FGADRP COc1cc(F)c([C@@H](C)[NH2+]CCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1OC ZINC000560897416 505208774 /nfs/dbraw/zinc/20/87/74/505208774.db2.gz FGLYQCFFGWBJFX-OWCLPIDISA-N 2 0 368.493 3.383 20 0 FGADRP C[C@H](NC(=O)N1CCC[N@@H+](C(C)(C)C)CC1)[C@@H](c1ccccc1)[NH+](C)C ZINC000554609464 505221164 /nfs/dbraw/zinc/22/11/64/505221164.db2.gz AAWHRYUEAHFLNT-HKUYNNGSSA-N 2 0 360.546 3.194 20 0 FGADRP CC[NH+](CC)[C@@H](C(=O)NC[C@@H](C)C[NH+](C)C)c1cccc(C(F)(F)F)c1 ZINC000561096596 505249894 /nfs/dbraw/zinc/24/98/94/505249894.db2.gz ZWJJZJHSSOCDOP-RHSMWYFYSA-N 2 0 373.463 3.402 20 0 FGADRP [NH3+][C@H](CCC(=O)NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)c1ccccc1 ZINC000566727880 505256708 /nfs/dbraw/zinc/25/67/08/505256708.db2.gz QBJZUQXXOKHKNO-CEWLAPEOSA-N 2 0 369.484 3.115 20 0 FGADRP CC(C)[NH+]1CCC(N(C)C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1 ZINC000551699479 505285633 /nfs/dbraw/zinc/28/56/33/505285633.db2.gz DHQDCZYUZVAXPY-JOCHJYFZSA-N 2 0 359.558 3.082 20 0 FGADRP Cc1ccc2cc(C[NH+]3CCN(C4C[C@H]5CC[C@@H](C4)[N@H+]5C)CC3)ccc2n1 ZINC000554884450 505289864 /nfs/dbraw/zinc/28/98/64/505289864.db2.gz QGSNRSDCOIWUCY-CBQGHPETSA-N 2 0 364.537 3.286 20 0 FGADRP Cc1cc(C)c(NC(=O)[C@H](C)[NH+]2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)c(C)c1 ZINC000561280513 505302426 /nfs/dbraw/zinc/30/24/26/505302426.db2.gz MAEWIBSZXBKWRR-DSKINZAPSA-N 2 0 373.541 3.157 20 0 FGADRP CC[NH+]1CCC(CNC(=O)NC2CC[NH+]([C@@H](C)c3ccccc3)CC2)CC1 ZINC000558095935 505306784 /nfs/dbraw/zinc/30/67/84/505306784.db2.gz ORKKRXQWWOXIRN-SFHVURJKSA-N 2 0 372.557 3.243 20 0 FGADRP Cc1cc(NCc2ccc(OC3CC[NH+](C)CC3)cc2)nc(C(C)C)n1 ZINC000561350676 505322271 /nfs/dbraw/zinc/32/22/71/505322271.db2.gz CTTICWLQSZVYRA-UHFFFAOYSA-N 2 0 354.498 3.415 20 0 FGADRP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)CCC(=O)NC3CCCC3)C2)s1 ZINC000566977671 505329134 /nfs/dbraw/zinc/32/91/34/505329134.db2.gz XNWLDQOZARDGDO-KRWDZBQOSA-N 2 0 363.571 3.259 20 0 FGADRP O=C(NC1CC[NH+](C2CCCC2)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000566983044 505330502 /nfs/dbraw/zinc/33/05/02/505330502.db2.gz VGPYPNGHMCBDJW-IBGZPJMESA-N 2 0 355.526 3.032 20 0 FGADRP C[NH+](C)CCC1CC[NH+](Cc2cn3ccc(Br)cc3n2)CC1 ZINC000567037435 505344806 /nfs/dbraw/zinc/34/48/06/505344806.db2.gz JKLWLTGFQFRYEM-UHFFFAOYSA-N 2 0 365.319 3.261 20 0 FGADRP Cc1cc2ncn(C[C@H](O)C[NH2+][C@@H]3c4ccccc4O[C@H]3C)c2cc1C ZINC000564203654 505351596 /nfs/dbraw/zinc/35/15/96/505351596.db2.gz SPHJGYQLHCBZLD-MRUHUIDDSA-N 2 0 351.450 3.126 20 0 FGADRP CC[NH+](CC)CCCNC(=O)C1CC[NH+](Cc2cccc(C)c2C)CC1 ZINC000558416384 505382761 /nfs/dbraw/zinc/38/27/61/505382761.db2.gz UUFKGPAQNBPNBP-UHFFFAOYSA-N 2 0 359.558 3.364 20 0 FGADRP C[N@@H+]1CC[C@H]([NH2+]C[C@]2(Cc3ccc(F)cc3)CCC[C@@H]2O)[C@H]2CCC[C@@H]21 ZINC000552056615 505383379 /nfs/dbraw/zinc/38/33/79/505383379.db2.gz LIQSDOIZLAEEET-LLVBAIKDSA-N 2 0 360.517 3.362 20 0 FGADRP CCCN(CCC[NH+](C)C)Cc1cnc2ccc(Br)cn12 ZINC000558423944 505385603 /nfs/dbraw/zinc/38/56/03/505385603.db2.gz VBWAKSVSJAZFTF-UHFFFAOYSA-N 2 0 353.308 3.261 20 0 FGADRP C[C@H]([NH2+]CCCC[NH+]1CCN(Cc2ccccc2)CC1)c1ccncc1F ZINC000567174425 505385994 /nfs/dbraw/zinc/38/59/94/505385994.db2.gz SGKFDMLIMURXHZ-IBGZPJMESA-N 2 0 370.516 3.469 20 0 FGADRP CCC[N@H+](C)[C@H](CNC1CC[NH+](CCOC)CC1)c1ccc(Cl)cc1 ZINC000552090829 505396103 /nfs/dbraw/zinc/39/61/03/505396103.db2.gz VEDJULZAOABERF-HXUWFJFHSA-N 2 0 367.965 3.423 20 0 FGADRP COc1ccc([C@@H](C)[NH2+]CC2(SC)CC[NH+](C)CC2)c(C)c1OC ZINC000558509345 505412549 /nfs/dbraw/zinc/41/25/49/505412549.db2.gz NPMAJLCEIDSXDN-OAHLLOKOSA-N 2 0 352.544 3.490 20 0 FGADRP CC[C@@H]1CN(C(=O)CCN(C)c2cc[nH+]cc2)CC[N@@H+]1Cc1ccccc1 ZINC000558517556 505414881 /nfs/dbraw/zinc/41/48/81/505414881.db2.gz HPUBVHZZQFTTSR-HXUWFJFHSA-N 2 0 366.509 3.031 20 0 FGADRP CC(C)[NH2+]CCCNC(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000567362585 505442017 /nfs/dbraw/zinc/44/20/17/505442017.db2.gz KBKQPMMDTNKPOV-SFHVURJKSA-N 2 0 366.937 3.164 20 0 FGADRP Cc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)c(-n2cc(Cl)cn2)n1 ZINC000552284324 505450322 /nfs/dbraw/zinc/45/03/22/505450322.db2.gz WOJITBJWLKKGRR-KURKYZTESA-N 2 0 359.905 3.192 20 0 FGADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]Cc1ccc(-c2ccc3c(c2)CCO3)cc1 ZINC000564560216 505453483 /nfs/dbraw/zinc/45/34/83/505453483.db2.gz USZUDVIAKPMCMY-ONGXBYRLSA-N 2 0 352.478 3.130 20 0 FGADRP Cc1cc(CNC(=O)NC[C@@H](C)[N@@H+]2CCCC[C@@H]2C)cc(N2CCCC2)n1 ZINC000564583346 505461118 /nfs/dbraw/zinc/46/11/18/505461118.db2.gz NFQSCJVLLWWDBM-ZWKOTPCHSA-N 2 0 373.545 3.052 20 0 FGADRP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000564658522 505485228 /nfs/dbraw/zinc/48/52/28/505485228.db2.gz JXAVKHOGUGWQMP-NQIIRXRSSA-N 2 0 357.542 3.230 20 0 FGADRP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+]1CC[C@H](CC2CC2)C1 ZINC000555697064 505493193 /nfs/dbraw/zinc/49/31/93/505493193.db2.gz ROMZVGYONURQFT-GHTZIAJQSA-N 2 0 369.553 3.278 20 0 FGADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)[C@]1(c2ccccc2)CC[NH2+]C1 ZINC000567608888 505513392 /nfs/dbraw/zinc/51/33/92/505513392.db2.gz SXRDAORJPNWBIP-HSZRJFAPSA-N 2 0 365.521 3.074 20 0 FGADRP Cn1cc(C[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c(-c2ccccc2)n1 ZINC000567645902 505523903 /nfs/dbraw/zinc/52/39/03/505523903.db2.gz IFIXPULZYBNHSX-NZQKXSOJSA-N 2 0 374.488 3.433 20 0 FGADRP CC(C)(C)[NH+]1CCC([NH2+]C[C@H](O)COCc2ccc(Cl)cc2)CC1 ZINC000567678928 505533073 /nfs/dbraw/zinc/53/30/73/505533073.db2.gz DZXIHCQZMBOKKR-SFHVURJKSA-N 2 0 354.922 3.070 20 0 FGADRP CCC[N@H+](CC)C[C@@H](C)NC(=O)N[C@H]1CC[NH+](Cc2ccccc2)C[C@H]1C ZINC000562241062 505549563 /nfs/dbraw/zinc/54/95/63/505549563.db2.gz CZAZMNLXPKUFPG-SBHAEUEKSA-N 2 0 374.573 3.317 20 0 FGADRP CCCC[N@H+](C)C[C@H](C)NC(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000562254278 505553540 /nfs/dbraw/zinc/55/35/40/505553540.db2.gz FYBMLFVKEJCWGO-ROUUACIJSA-N 2 0 364.534 3.226 20 0 FGADRP Cc1cc(NC(=O)[C@H](C(C)C)[C@@H](C)[NH3+])cc(N2CC[NH+](C(C)C)CC2)c1 ZINC000564940196 505562004 /nfs/dbraw/zinc/56/20/04/505562004.db2.gz LNMCCYOWVSEZOV-YLJYHZDGSA-N 2 0 360.546 3.083 20 0 FGADRP Clc1ccc(Cl)c(CC2CC[NH+](CCN3CC[NH2+]CC3)CC2)c1 ZINC000567890815 505570250 /nfs/dbraw/zinc/57/02/50/505570250.db2.gz USHKAVURDWEOEG-UHFFFAOYSA-N 2 0 356.341 3.153 20 0 FGADRP CC[N@H+](C)[C@H](C(=O)N1CC[C@H]([NH+](C)Cc2ccccc2)C1)c1ccccc1 ZINC000608165575 506448538 /nfs/dbraw/zinc/44/85/38/506448538.db2.gz RPSVLQUXZLDYIK-VXKWHMMOSA-N 2 0 365.521 3.412 20 0 FGADRP CC(C)[C@H](C(=O)N1CC[C@@H]([N@H+](C)Cc2ccccc2)C1)[NH+]1CCCCC1 ZINC000608167794 506449780 /nfs/dbraw/zinc/44/97/80/506449780.db2.gz SZLSCSCIUCCVLW-NHCUHLMSSA-N 2 0 357.542 3.230 20 0 FGADRP CCc1ccccc1[C@H]([NH3+])CNC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000582904229 506481348 /nfs/dbraw/zinc/48/13/48/506481348.db2.gz HZALUNHCLVHFAD-JOCHJYFZSA-N 2 0 365.521 3.277 20 0 FGADRP O=C(Nc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1)c1cccnc1 ZINC000583018698 506543334 /nfs/dbraw/zinc/54/33/34/506543334.db2.gz CXAPLOFXSSFLNE-QHAWAJNXSA-N 2 0 364.493 3.344 20 0 FGADRP C[C@H](CNC(=O)N1CC[C@@H]([N@H+](C)Cc2ccccc2)C1)C[NH+]1CCCCC1 ZINC000608645615 506646290 /nfs/dbraw/zinc/64/62/90/506646290.db2.gz QAKDVLUUKLHNTL-TZIWHRDSSA-N 2 0 372.557 3.024 20 0 FGADRP CC[NH+]1CCC(CNC(=O)N2C[C@H](C)[N@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000583255268 506679309 /nfs/dbraw/zinc/67/93/09/506679309.db2.gz TZQOQGVKRIDONK-RBUKOAKNSA-N 2 0 372.557 3.023 20 0 FGADRP C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)C[N@@H+]1CC[C@@H](c2nccn2C)C1 ZINC000583330105 506720321 /nfs/dbraw/zinc/72/03/21/506720321.db2.gz MZWDYYOMYAZIMW-GOEBONIOSA-N 2 0 360.889 3.082 20 0 FGADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)N[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000604170465 506734523 /nfs/dbraw/zinc/73/45/23/506734523.db2.gz CDNMUMKRSNZYPA-FPOVZHCZSA-N 2 0 372.557 3.387 20 0 FGADRP CN1CCC([N@@H+]2CC[C@@H](NC(=O)N[C@@H](c3ccccc3)C(C)(C)C)C2)CC1 ZINC000604173524 506736427 /nfs/dbraw/zinc/73/64/27/506736427.db2.gz MRNJHBNXTRIFSS-QUCCMNQESA-N 2 0 372.557 3.242 20 0 FGADRP CC[NH+](CC)C[C@@H](C)NC(=O)N[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000604183029 506741186 /nfs/dbraw/zinc/74/11/86/506741186.db2.gz ULRIXFXQKNVCST-UYAOXDASSA-N 2 0 360.546 3.243 20 0 FGADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000604195899 506747274 /nfs/dbraw/zinc/74/72/74/506747274.db2.gz WYJMGMYGJJPOSM-RTWAWAEBSA-N 2 0 372.557 3.387 20 0 FGADRP C[NH+](C)[C@H](CNC(=O)N1CCC[C@@H]1C[NH+]1CCCCC1)C1CCCCC1 ZINC000590147580 506750317 /nfs/dbraw/zinc/75/03/17/506750317.db2.gz VYCZCHPHMFGOIE-WOJBJXKFSA-N 2 0 364.578 3.157 20 0 FGADRP COC(=O)c1ccc(CNC[C@@H]2CC[N@H+](CCc3ccccc3)C2)cc1F ZINC000597053360 506752556 /nfs/dbraw/zinc/75/25/56/506752556.db2.gz IXUYLUREVNTAPT-IBGZPJMESA-N 2 0 370.468 3.267 20 0 FGADRP CC(C)[N@@H+]1CC[C@H](CNC(=O)NCC[NH+]2CCC3(CCCCC3)CC2)C1 ZINC000583419958 506769474 /nfs/dbraw/zinc/76/94/74/506769474.db2.gz KQJCCMFZEUELCK-LJQANCHMSA-N 2 0 364.578 3.062 20 0 FGADRP CC(C)[N@@H+]1CCCN(C(=O)[C@H](C)[NH+]2CCC(Cc3ccccc3)CC2)CC1 ZINC000600118600 506784714 /nfs/dbraw/zinc/78/47/14/506784714.db2.gz PQYABLBOLHDMTF-FQEVSTJZSA-N 2 0 371.569 3.272 20 0 FGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000583491483 506808560 /nfs/dbraw/zinc/80/85/60/506808560.db2.gz YWSKTVTVJDTPMV-JTHBVZDNSA-N 2 0 369.553 3.374 20 0 FGADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N[C@H]2CC23CC[NH2+]CC3)cc1 ZINC000612963356 506842560 /nfs/dbraw/zinc/84/25/60/506842560.db2.gz MWPIAEHQDUUWCT-PXNSSMCTSA-N 2 0 370.541 3.002 20 0 FGADRP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]C[C@@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000583688611 506918356 /nfs/dbraw/zinc/91/83/56/506918356.db2.gz RSMZZQOQRDJDNB-MGPQQGTHSA-N 2 0 361.313 3.196 20 0 FGADRP C[NH+](C)CC[C@H](NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1)C(C)(C)C ZINC000604727773 506920473 /nfs/dbraw/zinc/92/04/73/506920473.db2.gz KMNNISKDQATGCJ-PMACEKPBSA-N 2 0 359.558 3.381 20 0 FGADRP CC(C)[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+](Cc3cccc(F)c3)C2)C1 ZINC000604786648 506942501 /nfs/dbraw/zinc/94/25/01/506942501.db2.gz FRTYDTXKBRCWNC-UYAOXDASSA-N 2 0 361.505 3.027 20 0 FGADRP CC(C)[NH+]1CCC(N(C)C(=O)c2ccccc2CC2CC[NH2+]CC2)CC1 ZINC000583755555 506955493 /nfs/dbraw/zinc/95/54/93/506955493.db2.gz VKUJZOJGUDJPQX-UHFFFAOYSA-N 2 0 357.542 3.174 20 0 FGADRP CC(C)[N@H+](C)CC1CC[NH+](CC(=O)NC2(c3ccccc3)CCC2)CC1 ZINC000590786194 506955992 /nfs/dbraw/zinc/95/59/92/506955992.db2.gz GQRZXJACKTXUBK-UHFFFAOYSA-N 2 0 357.542 3.234 20 0 FGADRP C[NH+](C)CC[C@H](NC(=O)N1CC[NH+](CC2CCCCC2)CC1)C(C)(C)C ZINC000604824772 506959038 /nfs/dbraw/zinc/95/90/38/506959038.db2.gz WYYIHZXAKCRJHH-IBGZPJMESA-N 2 0 366.594 3.260 20 0 FGADRP CC(C)[N@H+](C)CC1CC[NH+](C[C@H](O)CO[C@@H]2CCCc3ccccc32)CC1 ZINC000590819046 506979527 /nfs/dbraw/zinc/97/95/27/506979527.db2.gz VCMSAYYREIKYGS-JTHBVZDNSA-N 2 0 374.569 3.494 20 0 FGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCc1ccc(C[NH+]2CCC[C@H](C)C2)cc1 ZINC000591096436 507113223 /nfs/dbraw/zinc/11/32/23/507113223.db2.gz NZQAZQCNBDJWKE-GHTZIAJQSA-N 2 0 357.542 3.409 20 0 FGADRP C[NH+](C)CCOc1cccc(C[NH2+]Cc2cnc(-c3ccncc3)s2)c1 ZINC000584044740 507119850 /nfs/dbraw/zinc/11/98/50/507119850.db2.gz PSPGPCFEQYUIBE-UHFFFAOYSA-N 2 0 368.506 3.435 20 0 FGADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000605374244 507164559 /nfs/dbraw/zinc/16/45/59/507164559.db2.gz SQXAHKKCIFZTBS-QUCCMNQESA-N 2 0 361.505 3.028 20 0 FGADRP CC[C@H](C(=O)NC[C@H](c1cccc(OC)c1)[NH+]1CCCC1)[NH+](CC)CC ZINC000605423532 507187466 /nfs/dbraw/zinc/18/74/66/507187466.db2.gz OOMQPVWLTOSNPQ-WOJBJXKFSA-N 2 0 361.530 3.069 20 0 FGADRP CC[NH+](CC)CC1CCN(C(=O)[C@@H](C)[N@@H+]2CCc3ccccc3C2)CC1 ZINC000605508031 507222741 /nfs/dbraw/zinc/22/27/41/507222741.db2.gz ZMDVVBXJYBLRMC-GOSISDBHSA-N 2 0 357.542 3.014 20 0 FGADRP CC[NH+](CC)CC1CCN(C(=O)[C@H](C)[N@@H+]2CCc3ccccc3C2)CC1 ZINC000605508032 507223919 /nfs/dbraw/zinc/22/39/19/507223919.db2.gz ZMDVVBXJYBLRMC-SFHVURJKSA-N 2 0 357.542 3.014 20 0 FGADRP Fc1ccc(C[N@@H+]2CC[C@@H]3OCC[C@@H]3C2)cc1C[NH+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000584229760 507226724 /nfs/dbraw/zinc/22/67/24/507226724.db2.gz PNLOEPACYCXNBJ-UBBRYJJRSA-N 2 0 374.500 3.047 20 0 FGADRP C[C@H](CNC(=O)c1ccccc1OCC[N@@H+]1CCCC[C@H]1C)[NH+]1CCCC1 ZINC000591430855 507247711 /nfs/dbraw/zinc/24/77/11/507247711.db2.gz VRZGAMGCFWQSFV-RTBURBONSA-N 2 0 373.541 3.154 20 0 FGADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)NCC2([NH+](C)C)CCCCCC2)C1 ZINC000591543104 507285120 /nfs/dbraw/zinc/28/51/20/507285120.db2.gz QFZCLFPGWQRAJI-GOSISDBHSA-N 2 0 352.567 3.061 20 0 FGADRP CC(C)[NH2+][C@@H]1CCCN(C(=O)NCc2ccccc2C[N@H+](C)C(C)C)C1 ZINC000601236203 507305676 /nfs/dbraw/zinc/30/56/76/507305676.db2.gz JVYWWJHOWDEDEY-HXUWFJFHSA-N 2 0 360.546 3.199 20 0 FGADRP COC(=O)c1cc(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CC23CCC3)c[nH]1 ZINC000594999268 507348980 /nfs/dbraw/zinc/34/89/80/507348980.db2.gz BTVAMWYISFXQQY-LJQANCHMSA-N 2 0 367.493 3.193 20 0 FGADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H]2CCc3ccc(I)cc32)C1 ZINC000595016810 507355992 /nfs/dbraw/zinc/35/59/92/507355992.db2.gz XNOAJELIAMWIKK-WBMJQRKESA-N 2 0 370.278 3.210 20 0 FGADRP CN(C(=O)c1ccc(C(C)(C)C)cc1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000601472982 507369009 /nfs/dbraw/zinc/36/90/09/507369009.db2.gz BIZPDTXNBSUQLF-HXUWFJFHSA-N 2 0 357.542 3.225 20 0 FGADRP CC1CC[NH+](Cc2ccccc2CNC(=O)C[C@@H]2CCCC[C@H]2[NH3+])CC1 ZINC000584528135 507395907 /nfs/dbraw/zinc/39/59/07/507395907.db2.gz BXKVUPLQIJIFNZ-GHTZIAJQSA-N 2 0 357.542 3.442 20 0 FGADRP CN(C)[C@@H](C(=O)N1CCC[N@@H+](C2CCCC2)CC1)c1cccc(Cl)c1 ZINC000606536342 507438127 /nfs/dbraw/zinc/43/81/27/507438127.db2.gz VAAYQBNFJFUJEI-LJQANCHMSA-N 2 0 363.933 3.420 20 0 FGADRP CC[C@H](C(=O)N[C@H]1CC[NH+](C)[C@H]1c1ccccc1)[N@H+](C)Cc1ccccc1 ZINC000584691739 507452869 /nfs/dbraw/zinc/45/28/69/507452869.db2.gz WDOLLBPXSBMECH-BDTNDASRSA-N 2 0 365.521 3.459 20 0 FGADRP CC[NH+](CC)Cc1cccc(CNC(=O)N2CC[N@H+](C)C[C@H]2C(C)C)c1 ZINC000606636571 507462071 /nfs/dbraw/zinc/46/20/71/507462071.db2.gz UZRWUFGGIQVICH-FQEVSTJZSA-N 2 0 360.546 3.010 20 0 FGADRP COC(=O)c1cc(C[NH2+]CCCC[NH+]2CCC(C)CC2)n2c1CCCC2 ZINC000598638134 507527273 /nfs/dbraw/zinc/52/72/73/507527273.db2.gz ABUJQWXBFVANKL-UHFFFAOYSA-N 2 0 361.530 3.213 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000592377053 507627282 /nfs/dbraw/zinc/62/72/82/507627282.db2.gz RKMASBFOVXWGDQ-RTBURBONSA-N 2 0 373.541 3.106 20 0 FGADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+]Cc1ccc(N(C)c2ccccc2)cc1 ZINC000592464476 507667426 /nfs/dbraw/zinc/66/74/26/507667426.db2.gz UPGQSOGYMBEBGJ-IBGZPJMESA-N 2 0 352.526 3.180 20 0 FGADRP COC(=O)CC[N@H+](Cc1ccc(F)c(F)c1)Cc1cccc2c1CC[NH2+]C2 ZINC000595892605 507730393 /nfs/dbraw/zinc/73/03/93/507730393.db2.gz NNIVOJVFOJQTLQ-UHFFFAOYSA-N 2 0 374.431 3.176 20 0 FGADRP CN1CCC([N@@H+]2CC[C@@H](Nc3nc(C(F)F)nc4ccccc43)C2)CC1 ZINC000602234525 521225910 /nfs/dbraw/zinc/22/59/10/521225910.db2.gz ZBPMNDMSILMQQD-CYBMUJFWSA-N 2 0 361.440 3.148 20 0 FGADRP Cc1cnc(NC[C@@H]2CC[N@@H+](C(C)C)C2)nc1NC[C@H]1CC[NH+](C(C)C)C1 ZINC000532045708 562465044 /nfs/dbraw/zinc/46/50/44/562465044.db2.gz OLMWZFZRGHEGMB-MOPGFXCFSA-N 2 0 374.577 3.069 20 0 FGADRP CCC1([NH+](C)C)CCN(C(=O)N[C@H](C)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000637137965 568439443 /nfs/dbraw/zinc/43/94/43/568439443.db2.gz WALYTUBBZJAJIB-IEBWSBKVSA-N 2 0 360.546 3.194 20 0 FGADRP CC1(C)CC([NH2+][C@H]2CCCc3cc(-c4nn[nH]n4)ccc32)CC(C)(C)[NH2+]1 ZINC000824790491 608496765 /nfs/dbraw/zinc/49/67/65/608496765.db2.gz NVNNSKYIWZPVIX-KRWDZBQOSA-N 2 0 354.502 3.143 20 0 FGADRP CC1(C)CC([NH2+][C@@H]2CCCc3cc(-c4nn[nH]n4)ccc32)CC(C)(C)[NH2+]1 ZINC000824790494 608497077 /nfs/dbraw/zinc/49/70/77/608497077.db2.gz NVNNSKYIWZPVIX-QGZVFWFLSA-N 2 0 354.502 3.143 20 0 FGADRP C[C@H]1CCCC[N@@H+]1CCCC[NH2+][C@H]1CCCc2cc(-c3nn[nH]n3)ccc21 ZINC000824935387 608501531 /nfs/dbraw/zinc/50/15/31/608501531.db2.gz ALDDJFLSUOOAHW-JXFKEZNVSA-N 2 0 368.529 3.488 20 0 FGADRP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824530625 609350234 /nfs/dbraw/zinc/35/02/34/609350234.db2.gz MINBKFWLNUCBDE-MPGHIAIKSA-N 2 0 354.502 3.170 20 0 FGADRP C[C@H]([NH2+]C[C@@H](c1ccccc1Cl)N1CCOCC1)C1CC[NH+](C)CC1 ZINC000122745731 700695227 /nfs/dbraw/zinc/69/52/27/700695227.db2.gz UDRUWYANKOHXCB-JXFKEZNVSA-N 2 0 365.949 3.033 20 0 FGADRP CCC[NH+]1CCC([NH2+][C@@H]2CCN(c3ccccc3OC(F)F)C2)CC1 ZINC000127968889 700769051 /nfs/dbraw/zinc/76/90/51/700769051.db2.gz RTDMYKOVZOFFNS-MRXNPFEDSA-N 2 0 353.457 3.331 20 0 FGADRP [NH3+]CCCCCC(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000155675381 705087571 /nfs/dbraw/zinc/08/75/71/705087571.db2.gz PLUMSMVZLGGFDI-UHFFFAOYSA-N 2 0 351.922 3.187 20 0 FGADRP CCc1nc(CN2CCC(C[NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)CC2)cs1 ZINC000166572917 705345010 /nfs/dbraw/zinc/34/50/10/705345010.db2.gz PONXFCIGPOEUKY-PKOBYXMFSA-N 2 0 362.587 3.134 20 0 FGADRP C[NH+](C)CC1CCC([NH2+]CC2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000178668723 705672399 /nfs/dbraw/zinc/67/23/99/705672399.db2.gz HSQNALZQTFKZRZ-UHFFFAOYSA-N 2 0 353.551 3.344 20 0 FGADRP Cc1cc(Br)cc(CN2CC[C@H](C[NH+]3CCCC3)C2)c1O ZINC000180392397 705738234 /nfs/dbraw/zinc/73/82/34/705738234.db2.gz NZWLDOVYTOIMHC-CQSZACIVSA-N 2 0 353.304 3.381 20 0 FGADRP CC1CC[NH+](CCC[NH2+][C@@H]2CCCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000182692737 705856973 /nfs/dbraw/zinc/85/69/73/705856973.db2.gz DMZIKVJHMMLMHV-GOSISDBHSA-N 2 0 353.551 3.488 20 0 FGADRP CC(C)[C@H](C[NH2+][C@H]1CCSc2c(F)cccc21)N1CC[NH+](C)CC1 ZINC000194262384 713516400 /nfs/dbraw/zinc/51/64/00/713516400.db2.gz ZAJNOYFYCFAJTK-ROUUACIJSA-N 2 0 351.535 3.224 20 0 FGADRP C[C@H](CC[NH2+]C[C@@]1(C)CCN(C(=O)OC(C)(C)C)C1)[NH+]1CCCCC1 ZINC000195222997 713549836 /nfs/dbraw/zinc/54/98/36/713549836.db2.gz MUSXACNUDQTWAL-YLJYHZDGSA-N 2 0 353.551 3.488 20 0 FGADRP [NH3+]CCCCCCC(=O)N[C@H]1CCCN(Cc2ccc(F)cc2Cl)C1 ZINC000237998657 713599618 /nfs/dbraw/zinc/59/96/18/713599618.db2.gz NDNZNPGBGULPRR-KRWDZBQOSA-N 2 0 369.912 3.469 20 0 FGADRP CC[NH+](CC)C[C@@H]1CC[N@H+](C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000247578196 713642260 /nfs/dbraw/zinc/64/22/60/713642260.db2.gz SLMIPTIGXPZYNJ-MSOLQXFVSA-N 2 0 353.551 3.297 20 0 FGADRP [NH3+][C@@H]1CCC[C@H]1CC(=O)N[C@H]1CCCN(Cc2ccc(F)cc2Cl)C1 ZINC000261874363 713715511 /nfs/dbraw/zinc/71/55/11/713715511.db2.gz YDUVCIPBXHUVRF-QANKJYHBSA-N 2 0 367.896 3.077 20 0 FGADRP Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000289947592 713768792 /nfs/dbraw/zinc/76/87/92/713768792.db2.gz WAZYPQSAJBUUSY-WMZOPIPTSA-N 2 0 361.555 3.213 20 0 FGADRP CN(CCCC[NH+]1CCCCC1)C(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000641739490 717924939 /nfs/dbraw/zinc/92/49/39/717924939.db2.gz FLQWWFKIXNIRIL-QGZVFWFLSA-N 2 0 366.575 3.258 20 0 FGADRP CCC[NH+]1CCC(CNC(=O)N(C)CCCC[NH+]2CCCCC2)CC1 ZINC000641785100 717929816 /nfs/dbraw/zinc/92/98/16/717929816.db2.gz YDLDGMWZXSLDMT-UHFFFAOYSA-N 2 0 352.567 3.016 20 0 FGADRP CC(C)[N@@H+]1CCc2nc(CN(C)CC[C@H]3CCCC[NH+]3C)sc2C1 ZINC000374958229 713956268 /nfs/dbraw/zinc/95/62/68/713956268.db2.gz ZSVJJVGKYFEHBJ-MRXNPFEDSA-N 2 0 350.576 3.216 20 0 FGADRP C[C@@H](O)[C@H]1C[C@H](C)CC[N@@H+]1CCCCC[NH+]1CC[C@H](C)C[C@@H]1[C@H](C)O ZINC000443322456 714031482 /nfs/dbraw/zinc/03/14/82/714031482.db2.gz UDXNKFINGNUEOR-JRBOJVLQSA-N 2 0 354.579 3.119 20 0 FGADRP C[C@H](CNC(=O)NCCCCC[NH+]1CCCCC1)[N@@H+]1CCCC[C@H]1C ZINC000523603264 714243236 /nfs/dbraw/zinc/24/32/36/714243236.db2.gz KNXJUBZDFNDEGX-RTBURBONSA-N 2 0 352.567 3.205 20 0 FGADRP CC(C)[N@H+](C)CC1CCN(C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)CC1 ZINC000523911725 714258387 /nfs/dbraw/zinc/25/83/87/714258387.db2.gz QBRNXYPEMFEPMA-SFHVURJKSA-N 2 0 354.583 3.115 20 0 FGADRP C[C@@H]1CCC[C@@](CNC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)([NH+](C)C)C1 ZINC000523912571 714258469 /nfs/dbraw/zinc/25/84/69/714258469.db2.gz BWUICKMDVAIBEM-FUHIMQAGSA-N 2 0 354.583 3.163 20 0 FGADRP CCC[NH+]1CCC(N(C)C(=O)NCC2([NH+](C)C)CCCCCC2)CC1 ZINC000524046835 714265901 /nfs/dbraw/zinc/26/59/01/714265901.db2.gz MCCDFMZCTDZVGH-UHFFFAOYSA-N 2 0 352.567 3.157 20 0 FGADRP Cc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)c(-n2cc(Cl)cn2)n1 ZINC000643483701 718036506 /nfs/dbraw/zinc/03/65/06/718036506.db2.gz CNHJFNSFPWHVSU-OKZBNKHCSA-N 2 0 359.905 3.239 20 0 FGADRP Brc1ccc([C@H]([NH2+]CC[C@@H]2CC[NH2+]C2)[C@H]2CCCO2)cc1 ZINC000643509296 718037334 /nfs/dbraw/zinc/03/73/34/718037334.db2.gz VMELFLIAPZMOCA-XKQJLSEDSA-N 2 0 353.304 3.258 20 0 FGADRP C[C@H]([NH2+]Cc1ccc2c(c1)C[NH2+]C2)c1ccc(-n2cncn2)cc1Cl ZINC000643523507 718037405 /nfs/dbraw/zinc/03/74/05/718037405.db2.gz XQKNDZNIASNUHA-ZDUSSCGKSA-N 2 0 353.857 3.375 20 0 FGADRP C[N@@H+]1CC[C@H]([NH2+][C@H]2CCN(c3ccc(Br)cc3)C2)CC1(C)C ZINC000623399247 715327545 /nfs/dbraw/zinc/32/75/45/715327545.db2.gz CZHQMBHTSSKPJV-HOTGVXAUSA-N 2 0 366.347 3.490 20 0 FGADRP C[N@@H+]1CC[C@H]([NH2+][C@H]2CCN(c3ccccc3OC(F)F)C2)CC1(C)C ZINC000623422994 715333339 /nfs/dbraw/zinc/33/33/39/715333339.db2.gz PFTBWVQDOKVHBP-GJZGRUSLSA-N 2 0 353.457 3.329 20 0 FGADRP CN1C(=O)C[C@H](N[C@@H]2CC[N@H+](C)C(C)(C)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000623472196 715342966 /nfs/dbraw/zinc/34/29/66/715342966.db2.gz HUGWUJUDWSTLCB-SKDZVZGDSA-N 2 0 367.896 3.213 20 0 FGADRP C[N@@H+]1CC[C@@H]([NH2+][C@H]2CCN(c3cccc(Br)c3)C2)CC1(C)C ZINC000623509571 715351152 /nfs/dbraw/zinc/35/11/52/715351152.db2.gz JEJFFZAHRFVRKL-CVEARBPZSA-N 2 0 366.347 3.490 20 0 FGADRP Cc1ccc(Br)cc1[C@H](C)[NH2+]C[C@@H](C)N1CC[NH+](C)CC1 ZINC000623888650 715424947 /nfs/dbraw/zinc/42/49/47/715424947.db2.gz OUHODHURRUFZFH-CABCVRRESA-N 2 0 354.336 3.044 20 0 FGADRP C[NH+]1CCC(O)(C[NH2+][C@@H]2CCCC[C@H]2Sc2ccc(F)cc2)CC1 ZINC000623897286 715426945 /nfs/dbraw/zinc/42/69/45/715426945.db2.gz KDOBFJVIJFUNIF-QZTJIDSGSA-N 2 0 352.519 3.275 20 0 FGADRP C[C@@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]C[C@H]1CCCC[N@H+](C)C1 ZINC000624121305 715477295 /nfs/dbraw/zinc/47/72/95/715477295.db2.gz SVZKIDAQZAXBIK-FUHWJXTLSA-N 2 0 365.949 3.399 20 0 FGADRP CN(CC[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)CC(F)F ZINC000624326734 715512424 /nfs/dbraw/zinc/51/24/24/715512424.db2.gz SSHLHTLAEQXLSN-CEXWTWQISA-N 2 0 351.485 3.074 20 0 FGADRP CC(C)[C@H]1C[C@@H]([NH2+]Cc2c(Cl)cccc2N2CC[NH+](C)CC2)CCO1 ZINC000628231902 716127866 /nfs/dbraw/zinc/12/78/66/716127866.db2.gz FYMJNWGULAFJPN-OXJNMPFZSA-N 2 0 365.949 3.385 20 0 FGADRP C[C@@H]1[C@H](C(=O)N[C@H](C[NH+](C)C)c2ccc(Cl)c(Cl)c2)CC[N@@H+]1C ZINC000628967973 716193116 /nfs/dbraw/zinc/19/31/16/716193116.db2.gz AOKOMYHVTZUAKT-AXAPSJFSSA-N 2 0 358.313 3.053 20 0 FGADRP O[C@H](C[NH2+][C@@H]1CCCN(c2ccc(Cl)cc2Cl)C1)C[NH+]1CCCC1 ZINC000629574070 716311143 /nfs/dbraw/zinc/31/11/43/716311143.db2.gz GEUJZDIOKIGTMD-HZPDHXFCSA-N 2 0 372.340 3.009 20 0 FGADRP O[C@@H](C[NH2+]C[C@@H]1CCN1C1CCCCC1)COCc1ccc(Cl)cc1 ZINC000629608269 716321334 /nfs/dbraw/zinc/32/13/34/716321334.db2.gz SCHPHTUOPLRWLZ-PMACEKPBSA-N 2 0 366.933 3.214 20 0 FGADRP C[NH+](C)CC[C@H](NC(=O)N1CCC(C)([NH+]2CCCC2)CC1)C(C)(C)C ZINC000633018407 716858356 /nfs/dbraw/zinc/85/83/56/716858356.db2.gz ZKZVGRAQHPUPAR-KRWDZBQOSA-N 2 0 352.567 3.013 20 0 FGADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(C[NH2+][C@@H]2CCCS(=O)(=O)CC2)cc1 ZINC000634953182 717134866 /nfs/dbraw/zinc/13/48/66/717134866.db2.gz UINWAJFXKVKGKQ-FXAWDEMLSA-N 2 0 364.555 3.118 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(C[NH2+][C@@H]2CCCS(=O)(=O)CC2)cc1 ZINC000634953185 717134871 /nfs/dbraw/zinc/13/48/71/717134871.db2.gz UINWAJFXKVKGKQ-YLJYHZDGSA-N 2 0 364.555 3.118 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+][C@@H]1CCCS(=O)(=O)CC1 ZINC000634953194 717134874 /nfs/dbraw/zinc/13/48/74/717134874.db2.gz UQDLLCVGEYCSNH-YLJYHZDGSA-N 2 0 364.555 3.118 20 0 FGADRP C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@H]1CC[C@H](C[NH3+])CC1 ZINC000635009779 717139355 /nfs/dbraw/zinc/13/93/55/717139355.db2.gz ZNGJPXAXIZYURH-UMVBOHGHSA-N 2 0 368.319 3.273 20 0 FGADRP Cc1cc(C[NH3+])oc1C(=O)Nc1cc(C[NH+]2CCSCC2)ccc1C ZINC000638089376 717407747 /nfs/dbraw/zinc/40/77/47/717407747.db2.gz QFWROOBGCFUVHR-UHFFFAOYSA-N 2 0 359.495 3.156 20 0 FGADRP COCCSc1ccc([C@H](C)[NH2+]C2CC[NH+](CC(C)(C)O)CC2)cc1 ZINC000638537457 717456015 /nfs/dbraw/zinc/45/60/15/717456015.db2.gz FYFMSPQTDFBEJI-INIZCTEOSA-N 2 0 366.571 3.311 20 0 FGADRP CC(C)(C)O[C@@H]1C[C@@H]([NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)C12CCC2 ZINC000638669906 717474790 /nfs/dbraw/zinc/47/47/90/717474790.db2.gz XOZUBTFDPFVECA-QXAKKESOSA-N 2 0 350.547 3.203 20 0 FGADRP C[N@H+](CCCC[NH+]1CCCCC1)CCC(=O)N1CCc2sccc2C1 ZINC000640530936 717760389 /nfs/dbraw/zinc/76/03/89/717760389.db2.gz IXCVBYIRQBCIFV-UHFFFAOYSA-N 2 0 363.571 3.221 20 0 FGADRP C[C@H]([NH2+][C@@H]1CC[C@](O)(C(F)(F)F)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000644553369 718123548 /nfs/dbraw/zinc/12/35/48/718123548.db2.gz KWPYCQLMKVKYSI-DZJNRPSUSA-N 2 0 356.432 3.333 20 0 FGADRP O[C@H](C[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)CC(F)(F)F ZINC000644619337 718134485 /nfs/dbraw/zinc/13/44/85/718134485.db2.gz CZPOCBFPPYSQJZ-XLAORIBOSA-N 2 0 356.432 3.190 20 0 FGADRP O=C(CCC1CC[NH2+]CC1)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000645157636 718187842 /nfs/dbraw/zinc/18/78/42/718187842.db2.gz SUHVKYBCSVXKJZ-LJQANCHMSA-N 2 0 363.933 3.373 20 0 FGADRP C[NH+]1CCC2(CC1)C[N@H+](CCCc1ccc(C(F)(F)F)cc1)CCO2 ZINC000646104410 718264024 /nfs/dbraw/zinc/26/40/24/718264024.db2.gz CNSDTHUMBSJQCI-UHFFFAOYSA-N 2 0 356.432 3.435 20 0 FGADRP FC(F)(F)c1cnc(OCC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)c(Cl)c1 ZINC000647550426 718367186 /nfs/dbraw/zinc/36/71/86/718367186.db2.gz PZAOCXUKJXDVNS-DMDPSCGWSA-N 2 0 363.811 3.110 20 0 FGADRP C[C@@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000647553153 718367500 /nfs/dbraw/zinc/36/75/00/718367500.db2.gz CXQKYOXNBXNXIH-HNNXBMFYSA-N 2 0 359.901 3.326 20 0 FGADRP C[C@H](C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)Oc1cccc(Br)c1 ZINC000647788567 718377841 /nfs/dbraw/zinc/37/78/41/718377841.db2.gz MCYYJYQWCREEAT-ORIJERBGSA-N 2 0 353.304 3.194 20 0 FGADRP CSc1ccccc1NC(=O)CC[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647976443 718391202 /nfs/dbraw/zinc/39/12/02/718391202.db2.gz ONVPCKPZNIULBF-IRXDYDNUSA-N 2 0 361.555 3.449 20 0 FGADRP C[C@H](C(=O)NCc1ccc(Cl)cc1)[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647976603 718391433 /nfs/dbraw/zinc/39/14/33/718391433.db2.gz QXJYXPDDNIMLCG-KBAYOESNSA-N 2 0 363.933 3.056 20 0 FGADRP O=C(CC[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1)Nc1cc(F)cc(F)c1 ZINC000647978030 718391641 /nfs/dbraw/zinc/39/16/41/718391641.db2.gz LLLDLGNLQCEKJA-CABCVRRESA-N 2 0 351.441 3.005 20 0 FGADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)[C@@H]([NH3+])c1cccc(Cl)c1 ZINC000649288470 718501385 /nfs/dbraw/zinc/50/13/85/718501385.db2.gz TWHZFNARCSXHBG-IBGZPJMESA-N 2 0 359.901 3.496 20 0 FGADRP O=C(Nc1ccc(Cl)cn1)C1CC[NH+](CCCC2CC[NH2+]CC2)CC1 ZINC000649411931 718512465 /nfs/dbraw/zinc/51/24/65/718512465.db2.gz WKAZLRGGAWOJJB-UHFFFAOYSA-N 2 0 364.921 3.165 20 0 FGADRP COc1cc(C[N@@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)ccc1SC ZINC000650706486 718717139 /nfs/dbraw/zinc/71/71/39/718717139.db2.gz LVQACFBLPCTRSF-ULQDDVLXSA-N 2 0 350.528 3.135 20 0 FGADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@H+](Cc3ccc(F)c(Br)c3)C2)C1 ZINC000650705739 718717200 /nfs/dbraw/zinc/71/72/00/718717200.db2.gz UGWWFEUQURYYJI-CPUCHLNUSA-N 2 0 371.294 3.307 20 0 FGADRP COc1cc(C[N@@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)ccc1SC ZINC000650706485 718717215 /nfs/dbraw/zinc/71/72/15/718717215.db2.gz LVQACFBLPCTRSF-GVDBMIGSSA-N 2 0 350.528 3.135 20 0 FGADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000650721812 718720036 /nfs/dbraw/zinc/72/00/36/718720036.db2.gz CCFOERJEJSPDMO-PVAVHDDUSA-N 2 0 358.404 3.446 20 0 FGADRP COc1ccc2nc(C[N@@H+]3CCCC[C@@H]3[C@@H]3C[C@@H]([NH3+])CCO3)sc2c1 ZINC000650724011 718721113 /nfs/dbraw/zinc/72/11/13/718721113.db2.gz WUURVTBGCRRYCH-XKQJLSEDSA-N 2 0 361.511 3.166 20 0 FGADRP C[NH2+]Cc1ccccc1C[NH2+][C@H](C)c1ccc(-n2cncn2)cc1Cl ZINC000650758754 718724596 /nfs/dbraw/zinc/72/45/96/718724596.db2.gz XBDZGZXHMZJGEE-CQSZACIVSA-N 2 0 355.873 3.491 20 0 FGADRP C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+]CCC1CC[NH2+]CC1 ZINC000650764430 718725139 /nfs/dbraw/zinc/72/51/39/718725139.db2.gz YIVOEAYYYXHBNS-CYBMUJFWSA-N 2 0 368.319 3.146 20 0 FGADRP C[N@H+](Cc1ccc(N2CCC3(CC[NH2+]CC3)[C@H]2C(F)(F)F)nc1)C1CC1 ZINC001164388897 718815406 /nfs/dbraw/zinc/81/54/06/718815406.db2.gz RJVLZXUDDPRFPG-KRWDZBQOSA-N 2 0 368.447 3.187 20 0 FGADRP C[C@@H]1CN(C(=O)Nc2ccc(SCC[NH+]3CCCC3)cc2)[C@H](C)C[NH2+]1 ZINC000652613506 718966377 /nfs/dbraw/zinc/96/63/77/718966377.db2.gz VLWBXAHKZVXPPE-HZPDHXFCSA-N 2 0 362.543 3.089 20 0 FGADRP [NH3+][C@@H]1CCCC[C@H]1NC(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000652614201 718966972 /nfs/dbraw/zinc/96/69/72/718966972.db2.gz REXPRYPWRDRPAE-QZTJIDSGSA-N 2 0 362.543 3.266 20 0 FGADRP C[NH+](C)Cc1ccnc(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c1 ZINC001164623347 719104633 /nfs/dbraw/zinc/10/46/33/719104633.db2.gz CNFQIXFCXCZVFK-NHCUHLMSSA-N 2 0 350.510 3.244 20 0 FGADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2cnn(-c3ccc(Br)cc3)c2)C1 ZINC000655826544 719344725 /nfs/dbraw/zinc/34/47/25/719344725.db2.gz IDLDKHYYDBZCCQ-XFHMXUHZSA-N 2 0 363.303 3.065 20 0 FGADRP Clc1ccccc1C[NH+]1CCC(C[NH2+]Cc2cnc3n2CCC3)CC1 ZINC000657354351 719631724 /nfs/dbraw/zinc/63/17/24/719631724.db2.gz OUNNIIAQFRMJEH-UHFFFAOYSA-N 2 0 358.917 3.485 20 0 FGADRP Brc1csc(C[NH2+]CC2CC[NH+](C3CCOCC3)CC2)c1 ZINC000657536823 719668198 /nfs/dbraw/zinc/66/81/98/719668198.db2.gz QFASNNAHDZMKMH-UHFFFAOYSA-N 2 0 373.360 3.491 20 0 FGADRP C[C@@]1(O)CCC[NH+](CCCCCCCCC[N@H+]2CCC[C@@](C)(O)C2)C1 ZINC000781903288 724610089 /nfs/dbraw/zinc/61/00/89/724610089.db2.gz GJSFAPDMVBWCGF-NHCUHLMSSA-N 2 0 354.579 3.411 20 0 FGADRP CO[C@@H]1CCC[C@H]([C@H](CO)[NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3C)CC2)C1 ZINC000658113952 719759000 /nfs/dbraw/zinc/75/90/00/719759000.db2.gz IQCRATHKAYUNBX-RKNHFHLDSA-N 2 0 352.563 3.185 20 0 FGADRP OC1(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)CCSCC1 ZINC000660010306 719971386 /nfs/dbraw/zinc/97/13/86/719971386.db2.gz IFXCDFGOKVMWAI-PMACEKPBSA-N 2 0 360.567 3.231 20 0 FGADRP CC1(C)C[C@H]([NH+]2CCCC3(CCC[N@@H+]([C@@H]4COC(C)(C)C4)C3)C2)CO1 ZINC000660566831 720075191 /nfs/dbraw/zinc/07/51/91/720075191.db2.gz RYXXNOHUJQPFEX-GAOSQQNJSA-N 2 0 350.547 3.299 20 0 FGADRP FC1(F)C[C@H]1OCC[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000660624326 720086186 /nfs/dbraw/zinc/08/61/86/720086186.db2.gz ZURNANYOMNBDMM-GOSISDBHSA-N 2 0 350.453 3.399 20 0 FGADRP C[C@@H](O)[C@H]1CCC[NH+]1Cc1cc(Cl)cc(C[N@H+]2CCC[C@@H]2[C@@H](C)O)c1 ZINC000661767960 720316291 /nfs/dbraw/zinc/31/62/91/720316291.db2.gz SFYKZHGWYVILDU-PBGAUENZSA-N 2 0 366.933 3.030 20 0 FGADRP Brc1ccc(C2CC[NH+](C[C@H]3CCC4(C[NH2+]C4)O3)CC2)cc1 ZINC000662279702 720409094 /nfs/dbraw/zinc/40/90/94/720409094.db2.gz XBYOUCDUDBGWPI-QGZVFWFLSA-N 2 0 365.315 3.150 20 0 FGADRP FC(F)(F)c1ccccc1[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662281900 720409412 /nfs/dbraw/zinc/40/94/12/720409412.db2.gz MIXHNIMDOVPHLR-QRTARXTBSA-N 2 0 354.416 3.452 20 0 FGADRP C[C@@H]1CCC[N@H+](Cc2nc(=O)c3c4c(sc3[nH]2)CCC4)[C@@H]1CCC[NH3+] ZINC000662316777 720414698 /nfs/dbraw/zinc/41/46/98/720414698.db2.gz NOISCPAYDQXMPA-TZMCWYRMSA-N 2 0 360.527 3.225 20 0 FGADRP Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)C[C@@H](C[NH3+])CC(C)C ZINC000662429516 720427676 /nfs/dbraw/zinc/42/76/76/720427676.db2.gz NFDQCUAABMFOJT-SFHVURJKSA-N 2 0 363.571 3.493 20 0 FGADRP CC[NH+](CC)CCN(Cc1ccc(Cl)cc1)C(=O)[C@H]1C[C@]12CC[NH2+]C2 ZINC000662654190 720450190 /nfs/dbraw/zinc/45/01/90/720450190.db2.gz CAHCNDZLWVVRAQ-QUCCMNQESA-N 2 0 363.933 3.010 20 0 FGADRP C[C@@H](CCNC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)[NH+](C)C ZINC000663456386 720517491 /nfs/dbraw/zinc/51/74/91/720517491.db2.gz BIHAEVFFCAKQBN-YJBOKZPZSA-N 2 0 366.937 3.116 20 0 FGADRP CC(C)[C@H]([NH3+])CC[NH2+]Cc1cnn(-c2ccc(Br)cc2)c1 ZINC000663498114 720519948 /nfs/dbraw/zinc/51/99/48/720519948.db2.gz LSIWGRWQUSBPAL-MRXNPFEDSA-N 2 0 351.292 3.098 20 0 FGADRP Fc1cncc(Br)c1CN1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000667708368 721161392 /nfs/dbraw/zinc/16/13/92/721161392.db2.gz AFEUKALRTQYTTB-SJKOYZFVSA-N 2 0 368.294 3.432 20 0 FGADRP CC1CC[NH+]([C@H](CNC(=O)N[C@H]2CCC[C@H]([NH3+])C2)c2cccs2)CC1 ZINC000668644671 721325525 /nfs/dbraw/zinc/32/55/25/721325525.db2.gz GATPDDQMSWQAAN-YESZJQIVSA-N 2 0 364.559 3.090 20 0 FGADRP C[C@@H](CCc1ccc(F)cc1F)[NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000671747344 721612422 /nfs/dbraw/zinc/61/24/22/721612422.db2.gz JTLVPGLOXLDION-MAUKXSAKSA-N 2 0 351.485 3.044 20 0 FGADRP C[N@@H+]1CCC[C@@H]2C[NH+](C[C@H](O)COc3ccc(Cl)c(Cl)c3)CC[C@H]21 ZINC000675734151 721771230 /nfs/dbraw/zinc/77/12/30/721771230.db2.gz XPQMKPWTYFXJHJ-QWQRMKEZSA-N 2 0 373.324 3.149 20 0 FGADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1ccc(-c2ccco2)s1 ZINC000675794467 721774812 /nfs/dbraw/zinc/77/48/12/721774812.db2.gz OSRRIAHMICCRKR-UHFFFAOYSA-N 2 0 363.527 3.354 20 0 FGADRP C[C@H](C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)Oc1ccc(Br)cc1 ZINC000677241519 721875817 /nfs/dbraw/zinc/87/58/17/721875817.db2.gz QCFPEJOLZDZMCP-FVQBIDKESA-N 2 0 353.304 3.433 20 0 FGADRP C[N@H+](Cc1cccc(Br)c1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000679318813 722022394 /nfs/dbraw/zinc/02/23/94/722022394.db2.gz DOFQHCBGVAZQNV-GOSISDBHSA-N 2 0 366.347 3.049 20 0 FGADRP C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000684953783 722369421 /nfs/dbraw/zinc/36/94/21/722369421.db2.gz LNYPVOZFOMIYCK-OAHLLOKOSA-N 2 0 357.464 3.252 20 0 FGADRP C[C@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000700799998 722409851 /nfs/dbraw/zinc/40/98/51/722409851.db2.gz NVPSAQQPLOPGMH-IRXDYDNUSA-N 2 0 353.551 3.344 20 0 FGADRP O[C@H](CN1CCC[C@H](Oc2ccc(Cl)c(Cl)c2)C1)C[NH+]1CCCC1 ZINC000753388220 722896998 /nfs/dbraw/zinc/89/69/98/722896998.db2.gz JVSORFZZJPMJHT-HOCLYGCPSA-N 2 0 373.324 3.293 20 0 FGADRP COc1ccc([C@@H](C)[NH2+][C@@H](CO)CC(F)F)cc1C[NH+]1CCCCC1 ZINC000760036227 723034755 /nfs/dbraw/zinc/03/47/55/723034755.db2.gz DKSZDSOCOXIZNG-RHSMWYFYSA-N 2 0 356.457 3.348 20 0 FGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H](C)c2cc(Cl)c(N)c(Cl)c2)CC1 ZINC000760156800 723040361 /nfs/dbraw/zinc/04/03/61/723040361.db2.gz GWMJOLZKXYAWJN-ZIAGYGMSSA-N 2 0 373.372 3.500 20 0 FGADRP C[C@@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1cc(Cl)c(N)c(Cl)c1 ZINC000760160969 723040552 /nfs/dbraw/zinc/04/05/52/723040552.db2.gz VAZBYNLYKYMLAH-TZMCWYRMSA-N 2 0 371.356 3.395 20 0 FGADRP CC(C)(C[NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)CC1)C[NH+]1CCCC1 ZINC000790747470 723172994 /nfs/dbraw/zinc/17/29/94/723172994.db2.gz DLVAMJRPFFSWBJ-KRWDZBQOSA-N 2 0 353.551 3.488 20 0 FGADRP CCOC(=O)C(F)(F)[C@@H]1CCC[C@H]([NH2+]CC(C)(C)C[NH+]2CCCC2)C1 ZINC000790749129 723173119 /nfs/dbraw/zinc/17/31/19/723173119.db2.gz CXWSHUWLCUXDLD-CVEARBPZSA-N 2 0 360.489 3.455 20 0 FGADRP C[N@@H+]1CCCC[C@H]1CC[NH+]1CC[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000765024673 723470987 /nfs/dbraw/zinc/47/09/87/723470987.db2.gz GYSGTXAORAWBNR-FXAWDEMLSA-N 2 0 351.535 3.194 20 0 FGADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H](C)c2cc(C)c(OC)c(Cl)c2)CC1 ZINC000796691855 723650361 /nfs/dbraw/zinc/65/03/61/723650361.db2.gz FVDIKHWEQZCPIC-CVEARBPZSA-N 2 0 353.938 3.334 20 0 FGADRP C[C@H]1C[C@H]([NH2+]C2CC[NH+](CC3CC3)CC2)CCN1C(=O)OC(C)(C)C ZINC000774514286 723901187 /nfs/dbraw/zinc/90/11/87/723901187.db2.gz XSRITIJMWSLQPU-MAUKXSAKSA-N 2 0 351.535 3.238 20 0 FGADRP CCN1CC[NH+](CCCC[NH2+]Cc2cc(C)cc(Br)c2)CC1 ZINC000774963082 723945744 /nfs/dbraw/zinc/94/57/44/723945744.db2.gz MNZZGCVOHFWNEA-UHFFFAOYSA-N 2 0 368.363 3.265 20 0 FGADRP COC(=O)N1CCC[C@@H]([C@H](C)[NH2+]C2CC[NH+](C3CCCCC3)CC2)C1 ZINC000775579707 724003180 /nfs/dbraw/zinc/00/31/80/724003180.db2.gz DTLRDMLAQXLQQI-DLBZAZTESA-N 2 0 351.535 3.240 20 0 FGADRP C[C@@H]1C[C@@H](C)C[NH+](CCCC[NH2+]C2CC(NC(=O)OC(C)(C)C)C2)C1 ZINC000809605534 725251586 /nfs/dbraw/zinc/25/15/86/725251586.db2.gz DMMAGVDDNGLNKI-MRLCAUJQSA-N 2 0 353.551 3.390 20 0 FGADRP C[C@@H]1CN(C(=O)NCCCCCCC[NH+](C)C)CC[N@@H+](C2CCC2)C1 ZINC000813604270 726896718 /nfs/dbraw/zinc/89/67/18/726896718.db2.gz CARPKDLAGKPAPO-SFHVURJKSA-N 2 0 352.567 3.014 20 0 FGADRP C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1[NH2+]CCCCC[NH+]1CCCC1 ZINC000815646817 727088187 /nfs/dbraw/zinc/08/81/87/727088187.db2.gz SYHYBDNAHNDNPR-ZWKOTPCHSA-N 2 0 353.551 3.488 20 0 FGADRP C[C@H]1C[C@H](C[NH2+]C2CCC([NH+](C)C)CC2)CCN1C(=O)OC(C)(C)C ZINC000817413914 727248931 /nfs/dbraw/zinc/24/89/31/727248931.db2.gz LYOBFFJNYHUFDH-KNXWPPODSA-N 2 0 353.551 3.484 20 0 FGADRP C[C@@H]1CC2(C[N@@H+]1CC(=O)Nc1ccccc1SC(F)F)CC[NH2+]CC2 ZINC000818341022 727308341 /nfs/dbraw/zinc/30/83/41/727308341.db2.gz VEFRRIAOMNXICK-CYBMUJFWSA-N 2 0 369.481 3.404 20 0 FGADRP CSC1(C[NH2+]C[C@@H](O)c2ccc(Cl)cc2Cl)CC[NH+](C)CC1 ZINC000819323304 727367172 /nfs/dbraw/zinc/36/71/72/727367172.db2.gz ZGLPUNDOKRRREE-OAHLLOKOSA-N 2 0 363.354 3.444 20 0 FGADRP C[C@H](C[NH2+][C@@H](Cc1ccccc1Cl)c1ccoc1)N1CC[NH+](C)CC1 ZINC000820810219 729033322 /nfs/dbraw/zinc/03/33/22/729033322.db2.gz RPIGIYUHNIRULG-UZLBHIALSA-N 2 0 361.917 3.442 20 0 FGADRP C[N@H+](CC[C@H]1CC1(Cl)Cl)C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000822882592 729227999 /nfs/dbraw/zinc/22/79/99/729227999.db2.gz KQTJZSBVYPHDQA-IRXDYDNUSA-N 2 0 357.325 3.139 20 0 FGADRP CCn1nc(C)c(C[NH2+]CC2CC[NH+](Cc3ccccc3Cl)CC2)n1 ZINC000823801434 729305709 /nfs/dbraw/zinc/30/57/09/729305709.db2.gz DPSKYASOYMGCLP-UHFFFAOYSA-N 2 0 361.921 3.262 20 0 FGADRP Cc1cc([C@@H]([NH3+])CC(=O)NCCCC[N@H+]2CCC[C@H](C)C2)cc(Cl)n1 ZINC000827104021 729424406 /nfs/dbraw/zinc/42/44/06/729424406.db2.gz UHWNERIQLPKQDS-YOEHRIQHSA-N 2 0 366.937 3.062 20 0 FGADRP Cc1cc([C@H]([NH3+])CC(=O)NCCCC[N@H+]2CCC[C@H](C)C2)cc(Cl)n1 ZINC000827104020 729424426 /nfs/dbraw/zinc/42/44/26/729424426.db2.gz UHWNERIQLPKQDS-WMLDXEAASA-N 2 0 366.937 3.062 20 0 FGADRP CC(C)(C)OC(=O)NCC1(C[NH2+]CC2CC[NH+](CC3CC3)CC2)CC1 ZINC000827845670 729435882 /nfs/dbraw/zinc/43/58/82/729435882.db2.gz ZDGPBLFHWASAKQ-UHFFFAOYSA-N 2 0 351.535 3.003 20 0 FGADRP [NH3+]CCCCCCNC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000831094933 729617081 /nfs/dbraw/zinc/61/70/81/729617081.db2.gz RGPLELKSWDTFDE-UHFFFAOYSA-N 2 0 366.937 3.123 20 0 FGADRP CC[C@H]([NH2+]CCC1CC[NH+](C)CC1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000834567101 729814950 /nfs/dbraw/zinc/81/49/50/729814950.db2.gz YBUORVHGRZTIRV-ZWKOTPCHSA-N 2 0 353.551 3.486 20 0 FGADRP Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000841036348 730205147 /nfs/dbraw/zinc/20/51/47/730205147.db2.gz LRZRXLYGDYBJDX-AWEZNQCLSA-N 2 0 350.869 3.122 20 0 FGADRP CC(C)(C)OC(=O)N1CCC2(CC1)CC[NH+](C[C@@]1(C)CC[NH2+]C1)CC2 ZINC000843127525 730589331 /nfs/dbraw/zinc/58/93/31/730589331.db2.gz DPFCLXXNIXRUMK-IBGZPJMESA-N 2 0 351.535 3.099 20 0 FGADRP C[N@H+](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C1CCC([NH3+])CC1 ZINC000843353229 730609950 /nfs/dbraw/zinc/60/99/50/730609950.db2.gz VNHLRXGFEIYJRJ-UHFFFAOYSA-N 2 0 363.811 3.499 20 0 FGADRP C[N@@H+]1CCC[C@H]2C[NH+](CCCCCCNC(=O)OC(C)(C)C)CC[C@H]21 ZINC000844304177 730700370 /nfs/dbraw/zinc/70/03/70/730700370.db2.gz MRBSSCOKGXWYOT-ZWKOTPCHSA-N 2 0 353.551 3.488 20 0 FGADRP FC1(F)C[C@@]12CCC[NH+](CCOCC[N@H+]1CCC[C@@]3(CC3(F)F)C1)C2 ZINC000844438864 730718200 /nfs/dbraw/zinc/71/82/00/730718200.db2.gz TWCKZLBKOVSRHY-HZPDHXFCSA-N 2 0 364.427 3.245 20 0 FGADRP C[NH2+]Cc1ccccc1C[NH2+][C@@H](C)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000844925972 730790394 /nfs/dbraw/zinc/79/03/94/730790394.db2.gz SKSPKDIDTPOXBL-ZDUSSCGKSA-N 2 0 368.449 3.253 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+]Cc2c3c(nn2C)CCSC3)C1 ZINC000882892795 737502245 /nfs/dbraw/zinc/50/22/45/737502245.db2.gz GAQAMAMIFQTPPZ-IYBDPMFKSA-N 2 0 350.576 3.057 20 0 FGADRP [NH2+]=C(NCCC[NH+]1CCCCC1)NCc1ccc(OC(F)(F)F)cc1 ZINC000849090363 731227784 /nfs/dbraw/zinc/22/77/84/731227784.db2.gz ICJHGZBLCKUBOO-UHFFFAOYSA-N 2 0 358.408 3.075 20 0 FGADRP C[N@H+](CCNC(=[NH2+])NCc1ccc(OC(F)(F)F)cc1)C1CCCC1 ZINC000849099934 731229346 /nfs/dbraw/zinc/22/93/46/731229346.db2.gz KQJONDBSEYFTGR-UHFFFAOYSA-N 2 0 358.408 3.074 20 0 FGADRP CCOC(=O)NC1CCC([NH2+]C2CCC([NH+]3CCCCC3)CC2)CC1 ZINC000850439569 731357807 /nfs/dbraw/zinc/35/78/07/731357807.db2.gz MHZWARNYJAWDQZ-UHFFFAOYSA-N 2 0 351.535 3.430 20 0 FGADRP CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000850582768 731376151 /nfs/dbraw/zinc/37/61/51/731376151.db2.gz LEAQZACCSMUJPT-QZTJIDSGSA-N 2 0 351.535 3.144 20 0 FGADRP C[C@@H](CC(=O)Nc1cccnc1Cl)[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000853239514 731686199 /nfs/dbraw/zinc/68/61/99/731686199.db2.gz GYOUEAAGZMEELL-HOCLYGCPSA-N 2 0 364.921 3.164 20 0 FGADRP CCOC(=O)C(F)(F)[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)C1 ZINC000853239148 731686237 /nfs/dbraw/zinc/68/62/37/731686237.db2.gz BHDBEGVTDJWYPK-BBWFWOEESA-N 2 0 358.473 3.065 20 0 FGADRP CC[N@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3sc(C)nc3C)C2)ccn1 ZINC000856555041 732037945 /nfs/dbraw/zinc/03/79/45/732037945.db2.gz XZPVYPHIYBIXHE-SFHVURJKSA-N 2 0 360.527 3.260 20 0 FGADRP CC(C)[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](CC3CC(F)(F)C3)C2)ccn1 ZINC000856604712 732040660 /nfs/dbraw/zinc/04/06/60/732040660.db2.gz PZYLKWPWHOSYEN-GOSISDBHSA-N 2 0 353.457 3.420 20 0 FGADRP Cc1nn(C)c(C[NH2+]CCC2CC[NH+](C(C)C)CC2)c1Br ZINC000865717052 733258584 /nfs/dbraw/zinc/25/85/84/733258584.db2.gz MFNBRBXVMPEIMW-UHFFFAOYSA-N 2 0 357.340 3.091 20 0 FGADRP C[NH+](C)C1(C)CCC([NH2+]Cc2c(Cl)cccc2S(C)(=O)=O)CC1 ZINC000865765277 733266097 /nfs/dbraw/zinc/26/60/97/733266097.db2.gz OVURKYVWVUURHQ-UHFFFAOYSA-N 2 0 358.935 3.096 20 0 FGADRP CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+]C2CCC(C)([NH+](C)C)CC2)cc1 ZINC000866515618 733359225 /nfs/dbraw/zinc/35/92/25/733359225.db2.gz DVRSLZIAITYOIM-DMKPSLHHSA-N 2 0 367.559 3.362 20 0 FGADRP COc1cc2c(cc1OC)CC[NH+](Cc1cc3c(s1)CC[NH2+]C3)CC2 ZINC000873207847 735737870 /nfs/dbraw/zinc/73/78/70/735737870.db2.gz GQFDPJQTJMIOQA-UHFFFAOYSA-N 2 0 358.507 3.012 20 0 FGADRP C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000873260404 735744383 /nfs/dbraw/zinc/74/43/83/735744383.db2.gz ZXDBMSHRXONEDL-SKWUIDRYSA-N 2 0 363.933 3.197 20 0 FGADRP Clc1cccc2c1OCCC[C@H]2[NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873291902 735747144 /nfs/dbraw/zinc/74/71/44/735747144.db2.gz NPHJYFCURSOZLE-RHSMWYFYSA-N 2 0 350.890 3.302 20 0 FGADRP C[C@@H]([NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2)c1cc(Cl)c(N)c(Cl)c1 ZINC000873292705 735747496 /nfs/dbraw/zinc/74/74/96/735747496.db2.gz UZQBUDAWBGJNFN-YPMHNXCESA-N 2 0 358.313 3.385 20 0 FGADRP CC(C)[NH+]1CCC(O)(C[NH2+]Cc2cc3nc(Cl)ccc3s2)CC1 ZINC000877085930 736185795 /nfs/dbraw/zinc/18/57/95/736185795.db2.gz SUDOHAWUQMKSCI-UHFFFAOYSA-N 2 0 353.919 3.275 20 0 FGADRP C[C@]([NH3+])(C(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1)c1ccc(Br)cc1 ZINC000877137436 736191953 /nfs/dbraw/zinc/19/19/53/736191953.db2.gz WACUOQAICAWSER-LZLYRXPVSA-N 2 0 374.282 3.076 20 0 FGADRP C[N@@H+]1CC[C@]2(CC[NH+](C[C@H]3CCCCN(C(=O)OC(C)(C)C)C3)C2)C1 ZINC000877546552 736682159 /nfs/dbraw/zinc/68/21/59/736682159.db2.gz UAURXIULXZZHDJ-XLIONFOSSA-N 2 0 351.535 3.051 20 0 FGADRP C(CC1CC[NH+](C[C@@H]2CC3(CO2)CCOCC3)CC1)C[NH+]1CCCC1 ZINC000878292727 736801484 /nfs/dbraw/zinc/80/14/84/736801484.db2.gz AGAUXIONPIGQKX-FQEVSTJZSA-N 2 0 350.547 3.160 20 0 FGADRP C[N@@H+]1CC[C@@H]2CN(CCC(=O)Nc3c(Cl)cccc3Cl)CC[C@H]21 ZINC000879576870 737010030 /nfs/dbraw/zinc/01/00/30/737010030.db2.gz YOGXTOUKQFDDFE-IUODEOHRSA-N 2 0 356.297 3.348 20 0 FGADRP CC(C)C[N@H+](CC1CC[NH+](C)CC1)C[C@H]1CCC2(CCOCC2)CO1 ZINC000879705099 737035552 /nfs/dbraw/zinc/03/55/52/737035552.db2.gz KNQWOESWEUQOJM-HXUWFJFHSA-N 2 0 352.563 3.262 20 0 FGADRP CCC1(NC(=O)OC(C)(C)C)CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000883283169 737546855 /nfs/dbraw/zinc/54/68/55/737546855.db2.gz SMWZSZRURPSPMI-SJPCQFCGSA-N 2 0 351.535 3.381 20 0 FGADRP C([NH2+][C@H]1CCOC2(CCOCC2)C1)C1([NH+]2CCCCC2)CCCCC1 ZINC000885898800 739197680 /nfs/dbraw/zinc/19/76/80/739197680.db2.gz XZSYEOPQYDXIOA-IBGZPJMESA-N 2 0 350.547 3.493 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@]2(C)CCOC3(CCC3)C2)[C@H](C)C1 ZINC000886774877 739296777 /nfs/dbraw/zinc/29/67/77/739296777.db2.gz XHMYVLDSNRUOSX-AABGKKOBSA-N 2 0 352.563 3.452 20 0 FGADRP CC(=O)Nc1cc(Br)ccc1CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000894742881 742325998 /nfs/dbraw/zinc/32/59/98/742325998.db2.gz LPMQXWRHVLIANV-MQVJKMGUSA-N 2 0 366.303 3.122 20 0 FGADRP CC(C)(C)OC(=O)N[C@H]1C[C@@H](C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)C1 ZINC000895479956 742416924 /nfs/dbraw/zinc/41/69/24/742416924.db2.gz YKXNRHPCHQBJSU-OKZBNKHCSA-N 2 0 351.535 3.001 20 0 FGADRP C[NH+]1CCC(C[NH+]2CCC(O)(Cc3nc(C(C)(C)C)cs3)CC2)CC1 ZINC000895847349 742462613 /nfs/dbraw/zinc/46/26/13/742462613.db2.gz BOQNGSVTROSLQJ-UHFFFAOYSA-N 2 0 365.587 3.152 20 0 FGADRP CCOC(=O)c1ncc(C[NH2+]C2CCC(C)([NH+]3CCCC3)CC2)s1 ZINC000896388009 742543482 /nfs/dbraw/zinc/54/34/82/742543482.db2.gz PWMWKDRWPRBUAI-UHFFFAOYSA-N 2 0 351.516 3.207 20 0 FGADRP C[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]CC2CCC(S(C)(=O)=O)CC2)CC1 ZINC000903155787 743813974 /nfs/dbraw/zinc/81/39/74/743813974.db2.gz HZIPXIFFXCWWKW-CLPROHDKSA-N 2 0 370.603 3.223 20 0 FGADRP CC1CCC(OC2CC[NH+](C[C@H]3CC4(CO3)CC[NH2+]CC4)CC2)CC1 ZINC000903729421 743879776 /nfs/dbraw/zinc/87/97/76/743879776.db2.gz MPWXFVFEBGQYAF-AFMYVXGZSA-N 2 0 350.547 3.205 20 0 FGADRP CC1CCC(OC2CC[NH+](C[C@@H]3CC4(CO3)CC[NH2+]CC4)CC2)CC1 ZINC000903729422 743879835 /nfs/dbraw/zinc/87/98/35/743879835.db2.gz MPWXFVFEBGQYAF-QLOJAFMTSA-N 2 0 350.547 3.205 20 0 FGADRP CCc1csc(CC2CC[NH+](C[C@H]3CC4(CO3)CC[NH2+]CC4)CC2)n1 ZINC000903769023 743881746 /nfs/dbraw/zinc/88/17/46/743881746.db2.gz XUBYYEVNQPQBFM-GOSISDBHSA-N 2 0 363.571 3.119 20 0 FGADRP CSc1ccc(OC[C@@H](O)C[NH2+]C2CCC(C)([NH+]3CCC3)CC2)cc1 ZINC000905600003 744035232 /nfs/dbraw/zinc/03/52/32/744035232.db2.gz FIUJCTDKWYQHGL-GNZRSQJKSA-N 2 0 364.555 3.145 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=S)NC[C@H]1CCC[N@@H+]1CC)c1ccsc1 ZINC000915126711 757884166 /nfs/dbraw/zinc/88/41/66/757884166.db2.gz LLKHGRBEYYEXJH-IAGOWNOFSA-N 2 0 368.616 3.079 20 0 FGADRP Cc1ccc([C@H](C)NC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)s1 ZINC000919787716 758475286 /nfs/dbraw/zinc/47/52/86/758475286.db2.gz FQLZPHLMFNZOBJ-INIZCTEOSA-N 2 0 354.564 3.033 20 0 FGADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CC[C@H](CNC(=O)OC(C)(C)C)C2)C1 ZINC000921688964 758771039 /nfs/dbraw/zinc/77/10/39/758771039.db2.gz MVLBPIYLXOKYRU-RCCFBDPRSA-N 2 0 353.551 3.390 20 0 FGADRP CSCc1ccc(C[NH2+]Cc2ccccc2C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000921979054 758832457 /nfs/dbraw/zinc/83/24/57/758832457.db2.gz BPNOKZVXROKQET-OAQYLSRUSA-N 2 0 356.535 3.406 20 0 FGADRP CC(C)[C@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1cc(Br)cs1)C2 ZINC000922385287 758909275 /nfs/dbraw/zinc/90/92/75/758909275.db2.gz ADXWLKUOVHNEMK-FPCVCCKLSA-N 2 0 373.360 3.080 20 0 FGADRP CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1cnc(C(C)(C)C)s1)C2 ZINC000922388531 758910445 /nfs/dbraw/zinc/91/04/45/758910445.db2.gz QUNZSDBPCSPEPW-OAFZBRQQSA-N 2 0 351.560 3.010 20 0 FGADRP CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3cc(F)c(F)cc3F)C2)[C@H]1C(C)C ZINC000922393590 758912694 /nfs/dbraw/zinc/91/26/94/758912694.db2.gz MCDQQGLWNYCZES-MKXGPGLRSA-N 2 0 356.432 3.063 20 0 FGADRP CSc1nnc(CCC[NH2+][C@@H]2C[C@H]([NH3+])CC(C)(C)C2)n1CC(C)C ZINC000925488954 759496601 /nfs/dbraw/zinc/49/66/01/759496601.db2.gz WMPJAGSBUHISNS-LSDHHAIUSA-N 2 0 353.580 3.084 20 0 FGADRP CC(C)Oc1cc(Cl)ccc1CN[C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC000925737171 759528372 /nfs/dbraw/zinc/52/83/72/759528372.db2.gz PTIGBZXFVSAQOT-RCCFBDPRSA-N 2 0 352.906 3.374 20 0 FGADRP CC(C)Oc1cc(Cl)ccc1CN[C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000925737157 759528410 /nfs/dbraw/zinc/52/84/10/759528410.db2.gz PTIGBZXFVSAQOT-FGTMMUONSA-N 2 0 352.906 3.374 20 0 FGADRP C[C@@H](Cc1ccc(F)cc1Br)[NH2+]C[C@H]1C[NH2+]CCC1(F)F ZINC000925778918 759535181 /nfs/dbraw/zinc/53/51/81/759535181.db2.gz VHYYTBJARRNBGQ-CMPLNLGQSA-N 2 0 365.237 3.354 20 0 FGADRP C[C@H]1C[C@H]([NH2+]CCN2CCC([NH3+])CC2)c2cccc(Br)c21 ZINC000925812190 759549770 /nfs/dbraw/zinc/54/97/70/759549770.db2.gz VJUPZGUJZGMHJI-LRDDRELGSA-N 2 0 352.320 3.010 20 0 FGADRP Cc1cc2c(cc1C)[C@@H]([NH2+]C[C@H]1CC3(CC[NH2+]CC3)C(=O)O1)CCS2 ZINC000925848693 759557186 /nfs/dbraw/zinc/55/71/86/759557186.db2.gz CZFJCBOSCDWEKS-WBVHZDCISA-N 2 0 360.523 3.115 20 0 FGADRP O=C1O[C@H](C[NH2+][C@@H]2CC[C@H](c3ccc(Cl)cc3)C2)CC12CC[NH2+]CC2 ZINC000925849250 759557266 /nfs/dbraw/zinc/55/72/66/759557266.db2.gz NPARYMOKAZIRGV-JQHSSLGASA-N 2 0 362.901 3.251 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC[C@@H]2CC[C@H](C(F)(F)F)O2)[C@@H](C)C1 ZINC000926910228 759844666 /nfs/dbraw/zinc/84/46/66/759844666.db2.gz JNSJEPRADFUXSZ-LUKYLMHMSA-N 2 0 366.468 3.213 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCC[C@H](C(F)(F)F)O2)[C@@H](C)C1 ZINC000926915710 759848052 /nfs/dbraw/zinc/84/80/52/759848052.db2.gz LTYCOPNZYQVUBL-LUKYLMHMSA-N 2 0 366.468 3.213 20 0 FGADRP CC[C@@H]1[C@@H](C(=O)NC2CC(C[NH2+]Cc3cccc(Cl)c3)C2)CC[N@@H+]1C ZINC000961857534 762753347 /nfs/dbraw/zinc/75/33/47/762753347.db2.gz VXQHJUNRTKITCP-SOTJZCEJSA-N 2 0 363.933 3.055 20 0 FGADRP C[C@@H]1[C@H](C(=O)N2CC[C@H]([NH2+]Cc3cc(Cl)ccc3Cl)C2)CC[N@@H+]1C ZINC001018867122 765846287 /nfs/dbraw/zinc/84/62/87/765846287.db2.gz HBNALJJGQVDLKW-UHOFOFEASA-N 2 0 370.324 3.024 20 0 FGADRP CC[C@@H]([NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1)c1ccc(Cl)cc1 ZINC001020171996 765865924 /nfs/dbraw/zinc/86/59/24/765865924.db2.gz HYDVALXSNCMSPH-NTDXCCSUSA-N 2 0 363.933 3.368 20 0 FGADRP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCC[NH+]2Cc2cc(C)sc2C)CC[N@@H+]1C ZINC001027892713 766104494 /nfs/dbraw/zinc/10/44/94/766104494.db2.gz CJHWCUGCCZGVQC-GBESFXJTSA-N 2 0 363.571 3.176 20 0 FGADRP CC[C@H](c1ccc(Cl)cc1)[NH+]1CC(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001031681470 766183191 /nfs/dbraw/zinc/18/31/91/766183191.db2.gz UHDREZLBTQOQHL-NIKGAXFTSA-N 2 0 363.933 3.179 20 0 FGADRP CC[C@@H]1[C@@H](C(=O)N[C@]2(C)CC[NH+](Cc3cc(C)sc3C)C2)CC[N@@H+]1C ZINC001046334423 766587023 /nfs/dbraw/zinc/58/70/23/766587023.db2.gz MSRLFEZKUGKTCO-NLWGTHIKSA-N 2 0 363.571 3.176 20 0 FGADRP C[NH2+]CCc1ccccc1C(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000567983130 505590169 /nfs/dbraw/zinc/59/01/69/505590169.db2.gz QXBFAJIOJDZQPR-PXNSSMCTSA-N 2 0 371.550 3.323 20 0 FGADRP CC[C@H](C(=O)NC[C@H](C[NH+](C)C)c1ccc(Cl)cc1)[NH+](CC)CC ZINC000573716062 505602658 /nfs/dbraw/zinc/60/26/58/505602658.db2.gz OCORFYIXGLRADH-SJLPKXTDSA-N 2 0 353.938 3.222 20 0 FGADRP COc1ccc(NC(=O)[C@H](c2ccccc2)[NH+]2CCC([C@@H](C)[NH3+])CC2)cc1 ZINC000570928472 505613566 /nfs/dbraw/zinc/61/35/66/505613566.db2.gz FYZHUYYNHNSWJE-IERDGZPVSA-N 2 0 367.493 3.434 20 0 FGADRP Cc1ccccc1[C@@H]([NH3+])C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000570958481 505620365 /nfs/dbraw/zinc/62/03/65/505620365.db2.gz NNPKNEWFGYXHOO-OAQYLSRUSA-N 2 0 351.494 3.297 20 0 FGADRP CCCOc1ccc(Br)cc1CN1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000573801704 505624674 /nfs/dbraw/zinc/62/46/74/505624674.db2.gz KEANSWMNFTZREB-ZFWWWQNUSA-N 2 0 353.304 3.279 20 0 FGADRP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@H]2C[NH2+]Cc3ccccc32)CC1 ZINC000573840016 505632992 /nfs/dbraw/zinc/63/29/92/505632992.db2.gz NGVHVKZEPSTDHT-VGSWGCGISA-N 2 0 363.505 3.215 20 0 FGADRP CCN1CC[C@H]([NH2+]CC[C@H]2CCC[N@@H+]2C)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000573902646 505647731 /nfs/dbraw/zinc/64/77/31/505647731.db2.gz KJVFPBVMQZDQBC-DKSSEZFCSA-N 2 0 355.448 3.313 20 0 FGADRP C[C@H]([NH2+]C1(CNC(=O)N2CC[C@@](C)(C[NH3+])C2)CCCC1)c1ccccc1 ZINC000573905523 505648263 /nfs/dbraw/zinc/64/82/63/505648263.db2.gz YTNYZRODMDBMLZ-PXNSSMCTSA-N 2 0 358.530 3.030 20 0 FGADRP C[C@H]([NH2+]C1(CNC(=O)N2CC[C@](C)(C[NH3+])C2)CCCC1)c1ccccc1 ZINC000573905522 505648435 /nfs/dbraw/zinc/64/84/35/505648435.db2.gz YTNYZRODMDBMLZ-FXAWDEMLSA-N 2 0 358.530 3.030 20 0 FGADRP C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@@H]3CCc4cncn4C3)cc2)C1 ZINC000577066444 505656809 /nfs/dbraw/zinc/65/68/09/505656809.db2.gz SKFAYYDXLXMCHU-SJLPKXTDSA-N 2 0 352.482 3.316 20 0 FGADRP C[C@@H]1[C@@H](NC(=O)N2CCCC[C@@H]2c2ncc[nH]2)CC[N@@H+]1Cc1ccccc1 ZINC000573949756 505658650 /nfs/dbraw/zinc/65/86/50/505658650.db2.gz AUBVZJCXQVVPBR-NZSAHSFTSA-N 2 0 367.497 3.309 20 0 FGADRP C[C@@H]([NH2+][C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)[C@H](C)c1ccc(Cl)cc1 ZINC000571157617 505667414 /nfs/dbraw/zinc/66/74/14/505667414.db2.gz RMZWYOJGMPGMLS-LOSGSANQSA-N 2 0 363.933 3.068 20 0 FGADRP C[NH+](C)CCc1ccc(C(=O)N2CC[NH+](CC3CCCCC3)CC2)cc1 ZINC000577121226 505668420 /nfs/dbraw/zinc/66/84/20/505668420.db2.gz AXRYGULDNRDSPH-UHFFFAOYSA-N 2 0 357.542 3.129 20 0 FGADRP C[NH+]1CCC(O)(C[NH2+]CC(Cc2ccccc2)Cc2ccccc2)CC1 ZINC000577152202 505674632 /nfs/dbraw/zinc/67/46/32/505674632.db2.gz BNWQHDMAOMZYPY-UHFFFAOYSA-N 2 0 352.522 3.134 20 0 FGADRP C[NH+](C)CC1CCN(c2ccccc2NC(=O)C[N@@H+]2CCC(C)(C)C2)CC1 ZINC000580091710 505675771 /nfs/dbraw/zinc/67/57/71/505675771.db2.gz JVRQCLKRDNJWLM-UHFFFAOYSA-N 2 0 372.557 3.135 20 0 FGADRP Brc1cccc2[nH]c(CNC3CC[NH+](CC4CC4)CC3)nc21 ZINC000574029670 505676915 /nfs/dbraw/zinc/67/69/15/505676915.db2.gz DDFABKOCYFAQHC-UHFFFAOYSA-N 2 0 363.303 3.289 20 0 FGADRP CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)[C@](C)([NH3+])c1ccccc1 ZINC000571214104 505680985 /nfs/dbraw/zinc/68/09/85/505680985.db2.gz ULMIPYNVGQTKCC-JOCHJYFZSA-N 2 0 366.509 3.021 20 0 FGADRP Cc1cccc(OC[C@H](O)C[N@@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)c1 ZINC000076109793 493824833 /nfs/dbraw/zinc/82/48/33/493824833.db2.gz OPBIWDFXXUNCRQ-FCHUYYIVSA-N 2 0 368.521 3.189 20 0 FGADRP COCCC[NH+]1CCC(NC(=O)c2ccc(Nc3cc[nH+]cc3)cc2)CC1 ZINC000081328243 493871048 /nfs/dbraw/zinc/87/10/48/493871048.db2.gz OUJBZAJMRXBTJS-UHFFFAOYSA-N 2 0 368.481 3.056 20 0 FGADRP c1ccc(Oc2cccnc2)c(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)c1 ZINC000069027846 493908588 /nfs/dbraw/zinc/90/85/88/493908588.db2.gz JKPZTMKEXPULFY-UHFFFAOYSA-N 2 0 367.493 3.418 20 0 FGADRP C[C@@H]1C[N@@H+](CCC2CC[NH+](Cc3ccc4c(n3)CCC4)CC2)C[C@H](C)O1 ZINC000580165088 505692968 /nfs/dbraw/zinc/69/29/68/505692968.db2.gz VMVJBIUHJKPFFD-HDICACEKSA-N 2 0 357.542 3.282 20 0 FGADRP C[NH+](C)CCNC(=O)c1ccc(C[NH2+]Cc2ccc3ccccc3c2)cc1 ZINC000076893838 493985244 /nfs/dbraw/zinc/98/52/44/493985244.db2.gz ORCHRBSSBKMIHT-UHFFFAOYSA-N 2 0 361.489 3.421 20 0 FGADRP C[NH+](C)CCOc1ccc(C[NH2+]Cc2ccccc2Cn2ccnc2)cc1 ZINC000069675977 493996600 /nfs/dbraw/zinc/99/66/00/493996600.db2.gz YCQAYUKHWKXBTC-UHFFFAOYSA-N 2 0 364.493 3.162 20 0 FGADRP CC(C)[N@@H+]1CCCN(C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)CC1 ZINC000069729261 494003567 /nfs/dbraw/zinc/00/35/67/494003567.db2.gz XXSANSYRMJNZAZ-KRWDZBQOSA-N 2 0 364.559 3.011 20 0 FGADRP CCCC[N@H+](C)CC1CC[NH+](CC(=O)N(C)Cc2ccccc2F)CC1 ZINC000052208803 494012218 /nfs/dbraw/zinc/01/22/18/494012218.db2.gz SLQFEVICWTVBKU-UHFFFAOYSA-N 2 0 363.521 3.228 20 0 FGADRP C[C@H](NC(=O)N1CCC[N@H+](Cc2ccccc2)C[C@H]1C)C(C)(C)C[NH+](C)C ZINC000085364898 494117630 /nfs/dbraw/zinc/11/76/30/494117630.db2.gz LTQLEBMHOZIVOR-MOPGFXCFSA-N 2 0 374.573 3.269 20 0 FGADRP COc1ccc([C@@H](CNC(=O)C[N@H+](C)C2CCCC2)[NH+]2CCCCC2)cc1 ZINC000054117806 494196653 /nfs/dbraw/zinc/19/66/53/494196653.db2.gz FJOAXKIUVSYSMW-OAQYLSRUSA-N 2 0 373.541 3.213 20 0 FGADRP Cc1nc(C[NH+]2CCC(CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)sc1C ZINC000088603763 494251678 /nfs/dbraw/zinc/25/16/78/494251678.db2.gz CLAWTOCQJKQOOO-GASCZTMLSA-N 2 0 351.560 3.471 20 0 FGADRP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000042910772 494251877 /nfs/dbraw/zinc/25/18/77/494251877.db2.gz QPSSEISTRQERLC-INIZCTEOSA-N 2 0 352.567 3.249 20 0 FGADRP CC(C)CN(CC[NH+](C)C)C(=O)N[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000054720608 494264237 /nfs/dbraw/zinc/26/42/37/494264237.db2.gz HFINYXIQPIBQCT-AZUAARDMSA-N 2 0 360.546 3.051 20 0 FGADRP C[C@H]([NH2+]CC1CCN(c2cc[nH+]cc2)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000089215224 494273787 /nfs/dbraw/zinc/27/37/87/494273787.db2.gz YJMDFFBSIWGOOT-INIZCTEOSA-N 2 0 373.522 3.052 20 0 FGADRP Cc1cc2ncc([C@H](C)[NH2+]CC3CCN(c4cc[nH+]cc4)CC3)c(C)n2n1 ZINC000089215346 494273962 /nfs/dbraw/zinc/27/39/62/494273962.db2.gz CHBQQMSIAZZTKN-INIZCTEOSA-N 2 0 364.497 3.308 20 0 FGADRP O=C(NCC[NH2+]C1CC[NH+](C2CCCCC2)CC1)c1c(F)cccc1F ZINC000089624732 494332808 /nfs/dbraw/zinc/33/28/08/494332808.db2.gz GWPCSSYFSUSSDS-UHFFFAOYSA-N 2 0 365.468 3.081 20 0 FGADRP C[C@H]1CCC[C@H](C)[NH+]1CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000066531436 494351693 /nfs/dbraw/zinc/35/16/93/494351693.db2.gz FUKNXXRLZSOUEX-IRXDYDNUSA-N 2 0 361.555 3.437 20 0 FGADRP Cc1nccn1C[C@@H](C)C[NH2+]C[C@H](O)Cc1ccc(C(F)(F)F)cc1 ZINC000577385453 505717792 /nfs/dbraw/zinc/71/77/92/505717792.db2.gz JPZSXOYWHCODQK-SUMWQHHRSA-N 2 0 355.404 3.040 20 0 FGADRP C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)NCCC[NH+]3CCCC3)cc2)C1 ZINC000045121409 494399275 /nfs/dbraw/zinc/39/92/75/494399275.db2.gz OQYCGZDPTKZKTM-IBGZPJMESA-N 2 0 372.557 3.204 20 0 FGADRP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)NCCC[NH+]1CCCC1 ZINC000045121403 494399297 /nfs/dbraw/zinc/39/92/97/494399297.db2.gz WJZLKRJGHHWVLB-IBGZPJMESA-N 2 0 372.557 3.346 20 0 FGADRP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)NCCC[NH+](C)C1CCCCC1 ZINC000073661185 494408892 /nfs/dbraw/zinc/40/88/92/494408892.db2.gz PPEPVOIBSHZMEZ-IBGZPJMESA-N 2 0 352.567 3.157 20 0 FGADRP C[C@@H](C(=O)NC(c1ccccc1)c1ccccc1)[NH+]1CCC(CC[NH3+])CC1 ZINC000574211745 505720909 /nfs/dbraw/zinc/72/09/09/505720909.db2.gz CQOHLAPBGCZMIS-SFHVURJKSA-N 2 0 365.521 3.342 20 0 FGADRP CC[NH+](CC)Cc1cccc(CNC(=O)N2CCC[C@H]([NH+]3CCCC3)C2)c1 ZINC000079200984 494417890 /nfs/dbraw/zinc/41/78/90/494417890.db2.gz YNFNWGFPYASKST-NRFANRHFSA-N 2 0 372.557 3.298 20 0 FGADRP C[NH+](C)CCNC(=O)c1ccc(C[NH2+][C@H](Cc2ccccc2)C2CC2)cc1 ZINC000090038563 494431333 /nfs/dbraw/zinc/43/13/33/494431333.db2.gz RUFJDSFMTVJXLM-JOCHJYFZSA-N 2 0 365.521 3.089 20 0 FGADRP CC[NH+](CC)[C@H](C)CNC(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000074010931 494466269 /nfs/dbraw/zinc/46/62/69/494466269.db2.gz NDKVJMMQIDJWSP-IPMKNSEASA-N 2 0 352.567 3.013 20 0 FGADRP C[NH+](C)CCC1CCN(C(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)CC1 ZINC000079610811 494492639 /nfs/dbraw/zinc/49/26/39/494492639.db2.gz UXIPBXHOLTWNPD-NRFANRHFSA-N 2 0 372.557 3.197 20 0 FGADRP C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1oc2ccccc2c1C[NH+](C)C ZINC000074228245 494501866 /nfs/dbraw/zinc/50/18/66/494501866.db2.gz GIAPDOSCNHVGCF-JKSUJKDBSA-N 2 0 357.498 3.345 20 0 FGADRP COc1ccc2c(c1)OC[C@H]([NH2+][C@H](C)c1ccc(OCC[NH+](C)C)cc1)C2 ZINC000090964761 494506728 /nfs/dbraw/zinc/50/67/28/494506728.db2.gz QFMJLBHWWYMHDY-VQIMIIECSA-N 2 0 370.493 3.290 20 0 FGADRP CCC[N@@H+]1CC[C@H](CNC(=O)N(CC)Cc2ccc(C[NH+](C)C)cc2)C1 ZINC000067280755 494507554 /nfs/dbraw/zinc/50/75/54/494507554.db2.gz BKGMEGJXQYEEFN-HXUWFJFHSA-N 2 0 360.546 3.012 20 0 FGADRP CC[NH+](CC)[C@@H](C(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1)c1ccccc1 ZINC000074319169 494517196 /nfs/dbraw/zinc/51/71/96/494517196.db2.gz QSNHFHDSSUWPAP-TZIWHRDSSA-N 2 0 357.542 3.260 20 0 FGADRP C[C@H](OC[C@H](O)C[NH+]1CCC(CC[NH+](C)C)CC1)c1ccc(Cl)cc1 ZINC000056522999 494520112 /nfs/dbraw/zinc/52/01/12/494520112.db2.gz OELMLTHMZBZHEX-OXJNMPFZSA-N 2 0 368.949 3.442 20 0 FGADRP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)NCCCCC[NH+]1CCCCC1 ZINC000074352759 494523720 /nfs/dbraw/zinc/52/37/20/494523720.db2.gz KWYVELRKGJPVEL-LJQANCHMSA-N 2 0 352.567 3.158 20 0 FGADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NCCC[NH+]1CCC(C)CC1 ZINC000067385071 494528700 /nfs/dbraw/zinc/52/87/00/494528700.db2.gz HKWNBVGABQXTCN-UHFFFAOYSA-N 2 0 374.573 3.402 20 0 FGADRP CN(C)[C@H](CNC(=O)Nc1ccn2ccnc2c1)c1ccccc1Cl ZINC000574244729 505728473 /nfs/dbraw/zinc/72/84/73/505728473.db2.gz YXVSDZLKIAHYSX-MRXNPFEDSA-N 2 0 357.845 3.412 20 0 FGADRP CCC[NH+]1CCC(NC(=O)N2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)CC1 ZINC000074710548 494579090 /nfs/dbraw/zinc/57/90/90/494579090.db2.gz FZABBXCGIADOFO-RBUKOAKNSA-N 2 0 364.578 3.157 20 0 FGADRP C[NH+](C)CCNC(=O)c1cccc(C[NH2+][C@H](c2ccccc2)C2CC2)c1 ZINC000091318415 494581175 /nfs/dbraw/zinc/58/11/75/494581175.db2.gz CVGJOSWMHOCELX-OAQYLSRUSA-N 2 0 351.494 3.219 20 0 FGADRP C[NH+](C)CCNC(=O)c1cccc(C[NH2+][C@@H](c2ccccc2)C2CC2)c1 ZINC000091318412 494581198 /nfs/dbraw/zinc/58/11/98/494581198.db2.gz CVGJOSWMHOCELX-NRFANRHFSA-N 2 0 351.494 3.219 20 0 FGADRP C[C@@H](C[NH2+][C@H](c1ccc(Br)cc1)C1CC1)N1CC[NH+](C)CC1 ZINC000091333356 494584259 /nfs/dbraw/zinc/58/42/59/494584259.db2.gz AGOMZCVHMNNSTP-KSSFIOAISA-N 2 0 366.347 3.126 20 0 FGADRP C[NH+](C)C1CCN(CC[NH2+][C@@H]2CCc3c2cccc3Br)CC1 ZINC000091367539 494588678 /nfs/dbraw/zinc/58/86/78/494588678.db2.gz BXGGHBAJUDBBQQ-GOSISDBHSA-N 2 0 366.347 3.052 20 0 FGADRP Cc1cc(C)n(-c2ccc(C[NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCCC[NH2+]3)cn2)n1 ZINC000580311441 505730629 /nfs/dbraw/zinc/73/06/29/505730629.db2.gz KBGPOGYVDLKYQH-HSALFYBXSA-N 2 0 353.514 3.285 20 0 FGADRP CN(c1ccccc1C[NH+]1CCC(n2cccn2)CC1)C1CC[NH+](C)CC1 ZINC000092618018 494689033 /nfs/dbraw/zinc/68/90/33/494689033.db2.gz RZTXRSXUSIBWRK-UHFFFAOYSA-N 2 0 367.541 3.251 20 0 FGADRP NC(=O)[C@H]1CCC[N@H+](Cc2cccc(C[NH2+]C/C=C/c3ccccc3)c2)C1 ZINC000108420710 494703237 /nfs/dbraw/zinc/70/32/37/494703237.db2.gz YIKOSLRTRRDWAN-PXWJQCMDSA-N 2 0 363.505 3.187 20 0 FGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@H](C)c2ccc(OC(F)F)cc2)CC1 ZINC000121349622 494713920 /nfs/dbraw/zinc/71/39/20/494713920.db2.gz QNLAZHZLHQSNRT-JKSUJKDBSA-N 2 0 355.473 3.212 20 0 FGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@@H](C)c2cc(Cl)ccc2OC)CC1 ZINC000121355344 494717987 /nfs/dbraw/zinc/71/79/87/494717987.db2.gz NEZPEPJWFGPOBF-HOTGVXAUSA-N 2 0 353.938 3.273 20 0 FGADRP C[C@@H]([NH2+]CCCN1CC[NH+](Cc2ccccc2)CC1)c1ccc(F)cn1 ZINC000092738678 494734290 /nfs/dbraw/zinc/73/42/90/494734290.db2.gz NGZVZAXJGQNQNN-GOSISDBHSA-N 2 0 356.489 3.079 20 0 FGADRP CC[NH+](CC)CCOc1ccccc1NC(=O)[C@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC000080599034 494742532 /nfs/dbraw/zinc/74/25/32/494742532.db2.gz YXOVITWNZJKLON-ZWKOTPCHSA-N 2 0 359.514 3.220 20 0 FGADRP Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)[C@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC000080610649 494744132 /nfs/dbraw/zinc/74/41/32/494744132.db2.gz DLSBODCLJPERRD-RBUKOAKNSA-N 2 0 373.566 3.357 20 0 FGADRP O=C([C@@H]1CCC[N@@H+]1Cc1ccccc1)N1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000126483067 494767037 /nfs/dbraw/zinc/76/70/37/494767037.db2.gz KWJIUITUUAEXLQ-FCEUIQTBSA-N 2 0 367.537 3.126 20 0 FGADRP C[N@H+](CCCNC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)C1CCCCC1 ZINC000075529376 494786718 /nfs/dbraw/zinc/78/67/18/494786718.db2.gz RYVQRGBMHYJVRE-UHFFFAOYSA-N 2 0 352.567 3.249 20 0 FGADRP CC[NH+](CC)[C@H](C)CNC(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000116529058 494808865 /nfs/dbraw/zinc/80/88/65/494808865.db2.gz SQDVFBGQYSTAAK-MSOLQXFVSA-N 2 0 360.546 3.242 20 0 FGADRP C[C@@H](C(=O)N1CCSc2ccccc21)[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000121605604 494818159 /nfs/dbraw/zinc/81/81/59/494818159.db2.gz PHXGTNKXTWDMSR-INIZCTEOSA-N 2 0 361.555 3.178 20 0 FGADRP C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]CC(C)(C)C[NH+](C)C ZINC000132100733 494820197 /nfs/dbraw/zinc/82/01/97/494820197.db2.gz KPSRFPDQYDTQTE-OAHLLOKOSA-N 2 0 353.938 3.254 20 0 FGADRP C[C@@H](C(=O)N1CCC[C@H]1c1cccs1)[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000121647886 494830830 /nfs/dbraw/zinc/83/08/30/494830830.db2.gz WKVYHTJDYFTCBV-WMZOPIPTSA-N 2 0 363.571 3.464 20 0 FGADRP OC1CC[NH+](Cc2ccc(C[NH2+][C@@H]3[C@H]4CCO[C@@H]4C34CCCC4)cc2)CC1 ZINC000121709943 494843094 /nfs/dbraw/zinc/84/30/94/494843094.db2.gz RLWMDTLXLGEELY-VSKRKVRLSA-N 2 0 370.537 3.081 20 0 FGADRP CCc1cc(OC)ccc1C[NH2+][C@@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000568651842 505745781 /nfs/dbraw/zinc/74/57/81/505745781.db2.gz BGJSGWVZNHWROL-QHCPKHFHSA-N 2 0 367.537 3.336 20 0 FGADRP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)c1ccc(Br)cc1F ZINC000126852631 494849627 /nfs/dbraw/zinc/84/96/27/494849627.db2.gz GBJLAPZGWMNJIG-UKRRQHHQSA-N 2 0 373.310 3.476 20 0 FGADRP CC(C)[C@H](C[NH2+][C@@H](C)c1cccc(Br)c1)N1CC[NH+](C)CC1 ZINC000132329958 494858199 /nfs/dbraw/zinc/85/81/99/494858199.db2.gz UQMSBLWIDCEXPL-YJBOKZPZSA-N 2 0 368.363 3.372 20 0 FGADRP CCN1CC[NH+](CCCC[NH2+][C@H]2CCCOc3cc4c(cc32)CCC4)CC1 ZINC000121906209 494886552 /nfs/dbraw/zinc/88/65/52/494886552.db2.gz XZULMCUZIGRGJX-QFIPXVFZSA-N 2 0 371.569 3.396 20 0 FGADRP COCC[N@H+](C)CCCC1CC[NH+](Cc2cnc3c(C)cccn23)CC1 ZINC000093769447 494919152 /nfs/dbraw/zinc/91/91/52/494919152.db2.gz PJGLRRFASLIOSW-UHFFFAOYSA-N 2 0 358.530 3.213 20 0 FGADRP CCCC[N@H+](CC)Cc1cccc(CNC(=O)N2CCC[C@H](C[NH3+])C2)c1 ZINC000571506616 505749815 /nfs/dbraw/zinc/74/98/15/505749815.db2.gz QEGLKMMEJJPTMK-HXUWFJFHSA-N 2 0 360.546 3.189 20 0 FGADRP CCn1nc(C)c(C[NH+]2CCC(CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c1C ZINC000093844292 494927131 /nfs/dbraw/zinc/92/71/31/494927131.db2.gz BTCCQKZDQRXVPB-CALCHBBNSA-N 2 0 362.562 3.231 20 0 FGADRP C[NH+](C)CCNC(=O)c1ccc(C[NH2+]Cc2cc3ccccc3s2)cc1 ZINC000132818681 494928653 /nfs/dbraw/zinc/92/86/53/494928653.db2.gz WMOCZQWYGSFPCO-UHFFFAOYSA-N 2 0 367.518 3.483 20 0 FGADRP C[C@@H](C[NH2+][C@H](Cc1cccc(F)c1)c1cccc(F)c1)N1CC[NH+](C)CC1 ZINC000127342937 494930915 /nfs/dbraw/zinc/93/09/15/494930915.db2.gz NJHPUUDZSCTMJH-HTAPYJJXSA-N 2 0 373.491 3.474 20 0 FGADRP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H](C)c3ccccc3N(C)C)cn2)CC1 ZINC000093942531 494937747 /nfs/dbraw/zinc/93/77/47/494937747.db2.gz BWZOJNRUIGZEBM-SFHVURJKSA-N 2 0 367.541 3.140 20 0 FGADRP C[C@H]([NH2+]C[C@H](O)CC1CCCC1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000571516175 505751651 /nfs/dbraw/zinc/75/16/51/505751651.db2.gz IZHNEXJBNOZGPJ-QFBILLFUSA-N 2 0 363.521 3.169 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccccc2-n2ccc(C)n2)[C@H](C)C1 ZINC000127603180 494969148 /nfs/dbraw/zinc/96/91/48/494969148.db2.gz QWPSYYSSLIEYDD-NQIIRXRSSA-N 2 0 370.541 3.407 20 0 FGADRP C[C@@H]([NH2+]Cc1ccccc1OCC[NH+](C)C)c1ccc(-n2cncn2)cc1 ZINC000122403384 494970003 /nfs/dbraw/zinc/97/00/03/494970003.db2.gz DAWKWYNUIWDSIQ-QGZVFWFLSA-N 2 0 365.481 3.059 20 0 FGADRP CC[C@H]([NH2+]C[C@H](C)N1CC[NH+](C)CC1)c1cccc(Br)c1 ZINC000127734674 494988749 /nfs/dbraw/zinc/98/87/49/494988749.db2.gz MDGBMGGFTPZIQK-YOEHRIQHSA-N 2 0 354.336 3.126 20 0 FGADRP CC[C@@H]([NH2+]C[C@H](C)N1CC[NH+](C)CC1)c1cccc(Br)c1 ZINC000127734928 494989020 /nfs/dbraw/zinc/98/90/20/494989020.db2.gz MDGBMGGFTPZIQK-WMLDXEAASA-N 2 0 354.336 3.126 20 0 FGADRP C[C@H](NCCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1cccc(Cl)c1Cl ZINC000127977631 495025524 /nfs/dbraw/zinc/02/55/24/495025524.db2.gz DGLDIGYRIFKXAS-STQMWFEESA-N 2 0 358.313 3.231 20 0 FGADRP CC(C)O[C@@H](C[N@@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1)c1ccccc1 ZINC000568707191 505757338 /nfs/dbraw/zinc/75/73/38/505757338.db2.gz NHMSSXCBQCBBLM-YADHBBJMSA-N 2 0 359.558 3.253 20 0 FGADRP C[C@@H]([NH2+]CCCN1CCC[N@H+](C)CC1)[C@H](C)c1nc2ccccc2s1 ZINC000128411640 495092295 /nfs/dbraw/zinc/09/22/95/495092295.db2.gz JKZSOPLZLMPPKQ-DLBZAZTESA-N 2 0 360.571 3.406 20 0 FGADRP CC(C)(C)[C@H]([NH3+])C(=O)NCCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000119153899 495105157 /nfs/dbraw/zinc/10/51/57/495105157.db2.gz SDHZKDKLEVQOCP-HXUWFJFHSA-N 2 0 359.558 3.211 20 0 FGADRP CC[C@@H]([NH2+]CCCN1CCC[N@H+](C)CC1)c1ccc(OC(F)F)cc1 ZINC000128573043 495118581 /nfs/dbraw/zinc/11/85/81/495118581.db2.gz FROAGILBCLDKNZ-GOSISDBHSA-N 2 0 355.473 3.356 20 0 FGADRP C[C@@H](NC(=O)[C@@H](C)[NH+]1CCC(CCC[NH+](C)C)CC1)c1ccc(F)cc1 ZINC000123401343 495127172 /nfs/dbraw/zinc/12/71/72/495127172.db2.gz GMPBOLXWQCHJOS-IAGOWNOFSA-N 2 0 363.521 3.445 20 0 FGADRP C[C@@H](CC(=O)Nc1cccnc1Cl)[NH2+]Cc1cccc(C[NH+](C)C)c1 ZINC000123585051 495155306 /nfs/dbraw/zinc/15/53/06/495155306.db2.gz PLJZBERUWYCKDY-AWEZNQCLSA-N 2 0 360.889 3.304 20 0 FGADRP C[NH+]1CCC(C[NH2+]Cc2nc(-c3ccc(Br)cc3)c[nH]2)CC1 ZINC000112373880 495181909 /nfs/dbraw/zinc/18/19/09/495181909.db2.gz PXEOZEYYZLRSDD-UHFFFAOYSA-N 2 0 363.303 3.271 20 0 FGADRP C[C@@H]1CCCCN1C(=O)C[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000103227967 495205459 /nfs/dbraw/zinc/20/54/59/495205459.db2.gz XIOMACXBVFHBQE-LJQANCHMSA-N 2 0 357.542 3.231 20 0 FGADRP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)c2oc3ccccc3c2C[NH+](C)C)C1 ZINC000119656249 495211694 /nfs/dbraw/zinc/21/16/94/495211694.db2.gz KXGLQYVMIOAOGD-INIZCTEOSA-N 2 0 357.498 3.202 20 0 FGADRP C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)N(C)CC[NH+]3CCCC3)cc2)C1 ZINC000112742449 495234060 /nfs/dbraw/zinc/23/40/60/495234060.db2.gz BSSMCLNOEIMVFO-LJQANCHMSA-N 2 0 372.557 3.156 20 0 FGADRP C[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1)c1ccccc1 ZINC000129490118 495252561 /nfs/dbraw/zinc/25/25/61/495252561.db2.gz SNHBEYOHMOLPNA-UTKZUKDTSA-N 2 0 351.494 3.235 20 0 FGADRP C[NH+](C)CCNC(=O)c1cccc(C[NH2+][C@@H]2CCC[C@@H](C(F)(F)F)C2)c1 ZINC000129655439 495276525 /nfs/dbraw/zinc/27/65/25/495276525.db2.gz AMOXHMJYDGNCHK-IAGOWNOFSA-N 2 0 371.447 3.189 20 0 FGADRP O=C(C[N@@H+]1CCC[C@H]1CCCc1ccccc1)NC1CC[NH+](C2CC2)CC1 ZINC000135359146 495281853 /nfs/dbraw/zinc/28/18/53/495281853.db2.gz UPSHZEYPNIWXMJ-OAQYLSRUSA-N 2 0 369.553 3.217 20 0 FGADRP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@@H]2CCCc2ccccc2)CC1 ZINC000135365858 495282683 /nfs/dbraw/zinc/28/26/83/495282683.db2.gz CPJRYSBSSJYFNP-QFIPXVFZSA-N 2 0 371.569 3.463 20 0 FGADRP CC(C)[NH+]1CCN(c2cccc(NC(=O)C[C@@H](C)C3CC[NH2+]CC3)c2)CC1 ZINC000568760177 505772366 /nfs/dbraw/zinc/77/23/66/505772366.db2.gz NXXCGPHUMSUKPP-GOSISDBHSA-N 2 0 372.557 3.181 20 0 FGADRP [NH3+][C@@H]1CCC[C@H]([NH2+]CC2(c3ccc(Br)cc3)CCOCC2)C1 ZINC000568768167 505773596 /nfs/dbraw/zinc/77/35/96/505773596.db2.gz IFEIIXBLJKDOCJ-SJORKVTESA-N 2 0 367.331 3.357 20 0 FGADRP C[NH+](C)CCN(CC[NH+](C)C)Cc1ccc(Br)c(Cl)c1 ZINC000577681260 505774401 /nfs/dbraw/zinc/77/44/01/505774401.db2.gz OAOQKPDTMKTHBU-UHFFFAOYSA-N 2 0 362.743 3.028 20 0 FGADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)NCC2CC[NH+](CCC(C)C)CC2)[C@H](C)C1 ZINC000129983559 495324388 /nfs/dbraw/zinc/32/43/88/495324388.db2.gz YOSSQVRUUARBKV-UYAOXDASSA-N 2 0 366.594 3.116 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000113901153 495334406 /nfs/dbraw/zinc/33/44/06/495334406.db2.gz CDCAJZCPKRASND-QUCCMNQESA-N 2 0 357.542 3.475 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCN(c3ccccc3)C2)[C@H](C)C1 ZINC000120341029 495356537 /nfs/dbraw/zinc/35/65/37/495356537.db2.gz BQUDJADNPFJEKG-SJBKTWHCSA-N 2 0 359.558 3.382 20 0 FGADRP COc1cc(C[NH2+]CCC2CC[NH+](C)CC2)ccc1OCC(F)(F)F ZINC000105454221 495364713 /nfs/dbraw/zinc/36/47/13/495364713.db2.gz OYTDQXROUJZPBG-UHFFFAOYSA-N 2 0 360.420 3.458 20 0 FGADRP C[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)c1cc2c(s1)CCC2 ZINC000130502179 495401571 /nfs/dbraw/zinc/40/15/71/495401571.db2.gz ILPIQFDSNFIMFU-HNNXBMFYSA-N 2 0 356.539 3.234 20 0 FGADRP C[NH+](C)Cc1ccc(C(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2)cc1 ZINC000114644618 495403936 /nfs/dbraw/zinc/40/39/36/495403936.db2.gz YLJXQYQQBHEZMQ-OAQYLSRUSA-N 2 0 351.494 3.143 20 0 FGADRP C[C@H]([NH2+]CCc1cn2ccccc2n1)c1ccc(OCC[NH+](C)C)cc1 ZINC000130553369 495410354 /nfs/dbraw/zinc/41/03/54/495410354.db2.gz UJOLGUUICKJUCZ-KRWDZBQOSA-N 2 0 352.482 3.168 20 0 FGADRP Cc1cc(C)cc(C[NH+]2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)c1 ZINC000130647049 495424003 /nfs/dbraw/zinc/42/40/03/495424003.db2.gz FEBPAWOLGMLOSQ-UHFFFAOYSA-N 2 0 359.558 3.219 20 0 FGADRP CC[N@@H+]1CC[C@H]([NH2+]CC2CC[NH+](Cc3ccc(OC)cc3)CC2)[C@H](C)C1 ZINC000120670410 495430838 /nfs/dbraw/zinc/43/08/38/495430838.db2.gz COHHZIMLAMQDDO-GCJKJVERSA-N 3 0 359.558 3.227 20 0 FGADRP C[C@H]1C[C@H]([NH2+]Cc2cn(Cc3ccccc3)nc2-c2cccnc2)CC[NH2+]1 ZINC000571651427 505783563 /nfs/dbraw/zinc/78/35/63/505783563.db2.gz SZFBNRLRCPZJDN-LAUBAEHRSA-N 2 0 361.493 3.224 20 0 FGADRP C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)NC2CCC(C[NH+](C)C)CC2)C1 ZINC000138124126 495456313 /nfs/dbraw/zinc/45/63/13/495456313.db2.gz QFQHOUZNALPYEN-VCAKUFKGSA-N 2 0 366.594 3.164 20 0 FGADRP CC[NH+](CC)CCCNC(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000125530543 495459429 /nfs/dbraw/zinc/45/94/29/495459429.db2.gz IGYWNADEKNYPCV-UHFFFAOYSA-N 2 0 360.546 3.204 20 0 FGADRP C[NH+](C)CCN(Cc1cccc(O)c1)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000138475724 495463084 /nfs/dbraw/zinc/46/30/84/495463084.db2.gz HHTDWJUQXUDYTP-UHFFFAOYSA-N 2 0 370.497 3.050 20 0 FGADRP C[N@H+](CCNC(=O)C1CC[NH+](Cc2cccs2)CC1)Cc1ccccc1 ZINC000130903698 495463974 /nfs/dbraw/zinc/46/39/74/495463974.db2.gz ZITDXBADUGBHRK-UHFFFAOYSA-N 2 0 371.550 3.208 20 0 FGADRP C[C@H](C[NH2+][C@@H](C)CC(=O)Nc1cccnc1Cl)C[NH+]1CCCCC1 ZINC000125565596 495463995 /nfs/dbraw/zinc/46/39/95/495463995.db2.gz CAFINOLSIBHILU-CABCVRRESA-N 2 0 352.910 3.164 20 0 FGADRP C[C@H](Cn1cc(Br)cn1)[NH2+]Cc1ccc(F)c(C[NH+](C)C)c1 ZINC000120912053 495483967 /nfs/dbraw/zinc/48/39/67/495483967.db2.gz LVVGOFPFKRAKRF-GFCCVEGCSA-N 2 0 369.282 3.025 20 0 FGADRP CC[N@@H+]1CC[C@H]([NH+](C)CCC(=O)NCc2ccccc2Cl)[C@H](C)C1 ZINC000125755857 495494317 /nfs/dbraw/zinc/49/43/17/495494317.db2.gz ZNJXHCQOZZJWIG-QAPCUYQASA-N 2 0 351.922 3.008 20 0 FGADRP Cc1nc2ccccc2n1CCNC(=O)N1CCC([N@H+]2CCC[C@@H]2C)CC1 ZINC000125857155 495509412 /nfs/dbraw/zinc/50/94/12/495509412.db2.gz MJNXLSSTEVNFCD-INIZCTEOSA-N 2 0 369.513 3.003 20 0 FGADRP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3c(Cl)ccc4cccnc43)C2)CC1 ZINC000107368162 495525936 /nfs/dbraw/zinc/52/59/36/495525936.db2.gz LHRJBDTTXSPIAU-QGZVFWFLSA-N 2 0 358.917 3.100 20 0 FGADRP C[N@H+](C[C@H](O)CCc1ccccc1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000182426308 495559407 /nfs/dbraw/zinc/55/94/07/495559407.db2.gz BBQSCWIRYJGDOM-XZOQPEGZSA-N 2 0 352.522 3.434 20 0 FGADRP Cc1nccn1-c1ccc([C@@H](C)NC(=O)N(C)CCCn2ccnc2)cc1 ZINC000154269221 495562330 /nfs/dbraw/zinc/56/23/30/495562330.db2.gz CAEPWZAKGIQDCW-MRXNPFEDSA-N 2 0 366.469 3.170 20 0 FGADRP C[C@@H](NC(=O)NCc1cccc(C[NH+](C)C)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182444084 495566378 /nfs/dbraw/zinc/56/63/78/495566378.db2.gz DDOJEGUDKUBSNE-XLIONFOSSA-N 2 0 372.557 3.200 20 0 FGADRP CCOC[C@H]1CC[NH+](Cc2ccc(C[N@H+]3CC[C@H](COCC)C3)cc2)C1 ZINC000176322371 495600238 /nfs/dbraw/zinc/60/02/38/495600238.db2.gz WFIDJMZUADDSGT-VXKWHMMOSA-N 2 0 360.542 3.403 20 0 FGADRP CC[NH+]1CCC(CCNC(=O)N[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)CC1 ZINC000182671771 495658489 /nfs/dbraw/zinc/65/84/89/495658489.db2.gz OHWYUTZGUNOYDG-MJGOQNOKSA-N 2 0 364.578 3.061 20 0 FGADRP C[N@H+](Cc1ccccc1)CC(C)(C)CN1CC[NH+](CC2CCOCC2)CC1 ZINC000179626907 495665730 /nfs/dbraw/zinc/66/57/30/495665730.db2.gz DDBIRDPFHOYWOC-UHFFFAOYSA-N 2 0 373.585 3.189 20 0 FGADRP C[C@H](N[C@@H]1CCN(c2ccccc2F)C1=O)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185694009 495681999 /nfs/dbraw/zinc/68/19/99/495681999.db2.gz IXCVMVRLZQXSHP-TXPKVOOTSA-N 2 0 359.489 3.174 20 0 FGADRP C[C@H](C[NH+]1CCCCCC1)NC(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000185704160 495688810 /nfs/dbraw/zinc/68/88/10/495688810.db2.gz KNGIUZFEEGKCQI-LJQANCHMSA-N 2 0 372.557 3.215 20 0 FGADRP CC[NH+](CC)CCCC1CC[NH+](CCc2nc3ccccc3c(=O)[nH]2)CC1 ZINC000182764634 495693921 /nfs/dbraw/zinc/69/39/21/495693921.db2.gz MLYCSEAFBQDGSN-UHFFFAOYSA-N 2 0 370.541 3.300 20 0 FGADRP CN(C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000176565152 495700879 /nfs/dbraw/zinc/70/08/79/495700879.db2.gz RSYRKSJPQJHOBF-CTNGQTDRSA-N 2 0 372.557 3.165 20 0 FGADRP CC[C@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1ccccc1OC(F)F ZINC000150986087 495702462 /nfs/dbraw/zinc/70/24/62/495702462.db2.gz FCRFXFFRARFESQ-KRWDZBQOSA-N 2 0 355.473 3.355 20 0 FGADRP CCC[NH+]1CCC(N(C)C(=O)NC[C@H](c2ccco2)[NH+](CC)CC)CC1 ZINC000171054648 495704284 /nfs/dbraw/zinc/70/42/84/495704284.db2.gz ZRPQGQHEEAVRSS-GOSISDBHSA-N 2 0 364.534 3.178 20 0 FGADRP CCCCOc1ncccc1C[NH2+]C1CCN(Cc2cccnc2)CC1 ZINC000154763807 495721135 /nfs/dbraw/zinc/72/11/35/495721135.db2.gz OUDURQWPGVXMLC-UHFFFAOYSA-N 2 0 354.498 3.410 20 0 FGADRP CC(C)C[C@H](CCO)C[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000151048493 495722675 /nfs/dbraw/zinc/72/26/75/495722675.db2.gz VWIWCXXWVNHLTM-IBGZPJMESA-N 2 0 361.574 3.351 20 0 FGADRP CC[NH+](CC)[C@@H](C(=O)NC[C@@H](C)C[NH2+]C)c1cccc(C(F)(F)F)c1 ZINC000154794124 495730394 /nfs/dbraw/zinc/73/03/94/495730394.db2.gz SKXDUNCLLVDTOT-XJKSGUPXSA-N 2 0 359.436 3.060 20 0 FGADRP CN(c1ccccc1CN[C@H]1CCC[C@H]([NH+](C)C)C1)C1CC[NH+](C)CC1 ZINC000151084702 495732765 /nfs/dbraw/zinc/73/27/65/495732765.db2.gz GOJDWNWFYWSRNT-FPOVZHCZSA-N 2 0 358.574 3.179 20 0 FGADRP C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000171174196 495753848 /nfs/dbraw/zinc/75/38/48/495753848.db2.gz URKLHCNEROXYHH-ZWKOTPCHSA-N 2 0 364.578 3.061 20 0 FGADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1csc(-c2ccc(F)cc2)n1 ZINC000185864389 495755622 /nfs/dbraw/zinc/75/56/22/495755622.db2.gz XLYYJEQFAMVMDL-HNNXBMFYSA-N 2 0 362.518 3.065 20 0 FGADRP NC(=O)[C@@H](Cc1ccc(Cl)cc1)[NH2+]Cc1ccc(C[NH+]2CCCC2)cc1 ZINC000185878454 495761960 /nfs/dbraw/zinc/76/19/60/495761960.db2.gz WEJQTDODGFPLKA-HXUWFJFHSA-N 2 0 371.912 3.122 20 0 FGADRP C[C@@H]1C[N@@H+](CC2CC[NH+](Cc3cn(C)nc3C(C)(C)C)CC2)C[C@H](C)O1 ZINC000179884320 495770137 /nfs/dbraw/zinc/77/01/37/495770137.db2.gz KHYCGCYWIZYGGF-CALCHBBNSA-N 2 0 362.562 3.039 20 0 FGADRP CC(C)(C)OC(=O)c1cccc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)c1 ZINC000179931938 495788722 /nfs/dbraw/zinc/78/87/22/495788722.db2.gz ZLKGTQDBWZAJPV-UHFFFAOYSA-N 2 0 374.525 3.186 20 0 FGADRP Cc1nc(-c2ccccc2)sc1[C@@H](C)[NH2+][C@H](C)CN1CC[NH+](C)CC1 ZINC000155071162 495825085 /nfs/dbraw/zinc/82/50/85/495825085.db2.gz YPEJCQYWQXESGN-HZPDHXFCSA-N 2 0 358.555 3.405 20 0 FGADRP COc1cc([C@H](C)[NH2+][C@@H](C)CN2CC[NH+](C)CC2)ccc1SC(F)F ZINC000155104353 495837268 /nfs/dbraw/zinc/83/72/68/495837268.db2.gz JNPZWJULVFVPPO-KBPBESRZSA-N 2 0 373.513 3.296 20 0 FGADRP COc1ccc([C@@H]([NH2+]C2CCN(CC[NH+](C)C)CC2)c2ccccc2)cc1 ZINC000180077643 495847785 /nfs/dbraw/zinc/84/77/85/495847785.db2.gz PFOOPHQLNJNVPC-QHCPKHFHSA-N 2 0 367.537 3.400 20 0 FGADRP CC(=O)N1CCC(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC000180128812 495870306 /nfs/dbraw/zinc/87/03/06/495870306.db2.gz BRZNHIKONZOHJA-FRIKZZABSA-N 2 0 355.526 3.030 20 0 FGADRP O[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)Cc1ccccc1 ZINC000180132644 495873257 /nfs/dbraw/zinc/87/32/57/495873257.db2.gz HLPWQAVQHNQLMJ-WVUPVLJSSA-N 2 0 350.506 3.375 20 0 FGADRP CCC[NH+]1CCC([NH2+]C[C@@H](c2cccc(Cl)c2)N2CCOCC2)CC1 ZINC000183206877 495880567 /nfs/dbraw/zinc/88/05/67/495880567.db2.gz JEWBGSBYHSVZHF-FQEVSTJZSA-N 2 0 365.949 3.177 20 0 FGADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)NCC(C)(C)[NH+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000174264613 495887040 /nfs/dbraw/zinc/88/70/40/495887040.db2.gz UWCPZISPQWPPET-CEXWTWQISA-N 2 0 366.594 3.116 20 0 FGADRP C[NH+]1CCC(CC[NH2+]C2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)CC1 ZINC000180171626 495891183 /nfs/dbraw/zinc/89/11/83/495891183.db2.gz PMERTAADBAXAQL-AYHJJNSGSA-N 2 0 351.535 3.238 20 0 FGADRP CC[NH+](CC)Cc1cc([C@H](C)[NH2+][C@@H]2CCc3n[nH]cc3C2)ccc1OC ZINC000183340072 495937517 /nfs/dbraw/zinc/93/75/17/495937517.db2.gz KGGQLTWLFZQDBT-HNAYVOBHSA-N 2 0 356.514 3.468 20 0 FGADRP O=C(C[N@H+](C1CC1)C1CCCC1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000171616648 495949186 /nfs/dbraw/zinc/94/91/86/495949186.db2.gz HUEDGWYDVVSOCG-UHFFFAOYSA-N 2 0 355.526 3.306 20 0 FGADRP Cc1ccc2c(c1)[C@@H]([NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1)[C@@H](C)C2 ZINC000180413420 495987263 /nfs/dbraw/zinc/98/72/63/495987263.db2.gz QXJDXJSADQEFOP-JTSKRJEESA-N 2 0 365.521 3.310 20 0 FGADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H](C)c2ccccc2Br)CC1 ZINC000155603348 496010182 /nfs/dbraw/zinc/01/01/82/496010182.db2.gz SZBWXFQVZHFINU-GJZGRUSLSA-N 2 0 354.336 3.126 20 0 FGADRP CC1(C)CC(NC(=O)NC2CC[NH+](C3CCCCC3)CC2)CC(C)(C)[NH2+]1 ZINC000177333287 496021659 /nfs/dbraw/zinc/02/16/59/496021659.db2.gz XAKGBUXREQGRGF-UHFFFAOYSA-N 2 0 364.578 3.392 20 0 FGADRP Cn1cc(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)c(-c2ccccc2)n1 ZINC000180508955 496026137 /nfs/dbraw/zinc/02/61/37/496026137.db2.gz VRPRKWGJPQBAMS-UHFFFAOYSA-N 2 0 368.525 3.164 20 0 FGADRP CC[NH+]1CCC(CNC(=O)N(Cc2ccccc2)C2CC[NH+](C)CC2)CC1 ZINC000577928585 505819798 /nfs/dbraw/zinc/81/97/98/505819798.db2.gz GFLDZSBLZYKNKU-UHFFFAOYSA-N 2 0 372.557 3.024 20 0 FGADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H](C)c2nc(-c3ccccc3)cs2)CC1 ZINC000155726823 496048421 /nfs/dbraw/zinc/04/84/21/496048421.db2.gz DCKAFLKZGFHAGV-IRXDYDNUSA-N 2 0 358.555 3.487 20 0 FGADRP Cc1ncsc1CC[NH+]1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000177484476 496081215 /nfs/dbraw/zinc/08/12/15/496081215.db2.gz WQDMEWOUKGIANK-HZPDHXFCSA-N 2 0 351.560 3.205 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1)CC(C)C ZINC000155915164 496106408 /nfs/dbraw/zinc/10/64/08/496106408.db2.gz PXDCNDODTRSQAY-UXHICEINSA-N 2 0 366.594 3.403 20 0 FGADRP COc1cccc([C@H](CNC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)[NH+](C)C)c1 ZINC000177600796 496128528 /nfs/dbraw/zinc/12/85/28/496128528.db2.gz NXBBCKOVGDMMPZ-NQIIRXRSSA-N 2 0 373.541 3.069 20 0 FGADRP O=C(NCc1ccc(Cn2ccnc2)cc1)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000177674733 496155193 /nfs/dbraw/zinc/15/51/93/496155193.db2.gz ZVTOONCDFWTYBF-HXUWFJFHSA-N 2 0 366.509 3.202 20 0 FGADRP CCNC(=O)c1ccc(C[NH2+][C@H](C)c2ccc(OCC[NH+](C)C)cc2)cc1 ZINC000156465035 496252634 /nfs/dbraw/zinc/25/26/34/496252634.db2.gz HPWQHSZJCFHVGD-QGZVFWFLSA-N 2 0 369.509 3.228 20 0 FGADRP c1ccc(CN2CCC([NH2+]C3CC[NH+](C4CCCCC4)CC3)CC2)nc1 ZINC000162202214 496313512 /nfs/dbraw/zinc/31/35/12/496313512.db2.gz VBFXUXCOLKFKRK-UHFFFAOYSA-N 2 0 356.558 3.433 20 0 FGADRP Cc1cncc([C@@H](C)[NH2+]CCCN2CC[N@H+](C)C[C@@H]2c2ccccc2)c1 ZINC000184275242 496315454 /nfs/dbraw/zinc/31/54/54/496315454.db2.gz VFRAUEOGADGYNQ-DENIHFKCSA-N 2 0 352.526 3.419 20 0 FGADRP Cc1cc(NCc2cccnc2N2CC[NH+](C)CC2)c2cc(F)ccc2[nH+]1 ZINC000178188723 496363002 /nfs/dbraw/zinc/36/30/02/496363002.db2.gz FBLHYXUJRIBCSS-UHFFFAOYSA-N 2 0 365.456 3.441 20 0 FGADRP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N(C)C[C@@H]1CCC[NH+](C)C1 ZINC000187478367 496458066 /nfs/dbraw/zinc/45/80/66/496458066.db2.gz SPYLJGBCSHPXTL-RTWAWAEBSA-N 2 0 374.573 3.126 20 0 FGADRP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](Cc2cccc(-c3ccncc3)c2)CC1 ZINC000580821515 505845689 /nfs/dbraw/zinc/84/56/89/505845689.db2.gz WJEVLECQWUBJRB-YADHBBJMSA-N 2 0 351.494 3.467 20 0 FGADRP O[C@H](C[NH2+]Cc1cccc(C[NH+]2CCCC2)c1)COc1ccccc1Cl ZINC000580828888 505847374 /nfs/dbraw/zinc/84/73/74/505847374.db2.gz PYHNOKOBGNWMFQ-LJQANCHMSA-N 2 0 374.912 3.465 20 0 FGADRP CC[C@@H]([NH2+]C[C@@H](C)N1CC[NH+](C)CC1)c1cc(F)cc(Br)c1 ZINC000181703101 496510431 /nfs/dbraw/zinc/51/04/31/496510431.db2.gz GDISRPCXNCFMHE-CXAGYDPISA-N 2 0 372.326 3.265 20 0 FGADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000163443713 496516673 /nfs/dbraw/zinc/51/66/73/496516673.db2.gz JRGOQBLNVJOWMW-HXUWFJFHSA-N 2 0 357.542 3.279 20 0 FGADRP CC[C@@H]([NH2+][C@@H](C)CN1CC[NH+](C)CC1)c1cc(F)cc(Br)c1 ZINC000181721085 496517942 /nfs/dbraw/zinc/51/79/42/496517942.db2.gz XZNVITVEIMOHEB-SUMWQHHRSA-N 2 0 372.326 3.265 20 0 FGADRP C[C@H](CCNC(=O)NCc1ccccc1C[NH+]1CCCC1)[NH+]1CCCCC1 ZINC000184759471 496520538 /nfs/dbraw/zinc/52/05/38/496520538.db2.gz MAVJCKVTFBBVDZ-LJQANCHMSA-N 2 0 372.557 3.346 20 0 FGADRP CC1CC[NH+]([C@@H](CNC(=O)[C@@H](C[NH3+])c2ccccc2)c2cccs2)CC1 ZINC000178660553 496531645 /nfs/dbraw/zinc/53/16/45/496531645.db2.gz AQQMDQFOPPFYBZ-OALUTQOASA-N 2 0 371.550 3.380 20 0 FGADRP [NH3+][C@@H]1CCCCCC[C@@H]1C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000178688801 496542399 /nfs/dbraw/zinc/54/23/99/496542399.db2.gz GXIRGBHHKMWQKD-LEWJYISDSA-N 2 0 357.542 3.107 20 0 FGADRP C[C@H]1C[C@H]([NH2+]C[C@@H]2CCN(c3ccc(Br)cc3)C2)CC[N@@H+]1C ZINC000178711826 496547859 /nfs/dbraw/zinc/54/78/59/496547859.db2.gz YXXZQEPYVSBECA-YQQAZPJKSA-N 2 0 366.347 3.348 20 0 FGADRP COC[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCC(C)CC1)C1CCOCC1 ZINC000187775716 496567187 /nfs/dbraw/zinc/56/71/87/496567187.db2.gz YAEOPWWISIIKLZ-JOCHJYFZSA-N 2 0 360.542 3.450 20 0 FGADRP CCC1(CC)[C@H]([NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)C[C@@H]1OC ZINC000181861154 496575514 /nfs/dbraw/zinc/57/55/14/496575514.db2.gz WLNRYQPJAVHFQF-RTWAWAEBSA-N 2 0 360.542 3.327 20 0 FGADRP C[C@@H](Cn1cc(Br)cn1)[NH2+]CCCC[N@@H+]1CCC[C@H](C)C1 ZINC000157929164 496588557 /nfs/dbraw/zinc/58/85/57/496588557.db2.gz UYOADKHDJJBDAD-GJZGRUSLSA-N 2 0 357.340 3.136 20 0 FGADRP C[C@H]1CC[C@H](C)[NH+]1CCN1CC[NH+](Cc2cccc3cccnc32)CC1 ZINC000153911852 496621297 /nfs/dbraw/zinc/62/12/97/496621297.db2.gz JEUANSOLJIHQFC-OALUTQOASA-N 2 0 352.526 3.225 20 0 FGADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000164785409 496632464 /nfs/dbraw/zinc/63/24/64/496632464.db2.gz XTZXPNIKSMKIJS-OAQYLSRUSA-N 2 0 371.569 3.383 20 0 FGADRP C[C@@H]([NH2+]CCC(=O)Nc1ccccc1)c1cccc(OCC[NH+](C)C)c1 ZINC000164970456 496641118 /nfs/dbraw/zinc/64/11/18/496641118.db2.gz AJZNGKQXBDZLEC-QGZVFWFLSA-N 2 0 355.482 3.306 20 0 FGADRP C[C@H]1C[C@H](N(C)C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)CC[N@@H+]1C ZINC000173416637 496684210 /nfs/dbraw/zinc/68/42/10/496684210.db2.gz BTWJFCHXTIWBPA-BBWFWOEESA-N 2 0 364.559 3.009 20 0 FGADRP C[C@@H]1CCc2c(F)cccc2[C@@H]1[NH2+]Cc1cccnc1N1CC[NH+](C)CC1 ZINC000158436082 496701798 /nfs/dbraw/zinc/70/17/98/496701798.db2.gz ISUYWYZAQVEYIN-IIBYNOLFSA-N 2 0 368.500 3.386 20 0 FGADRP CC[C@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)c1cccc(OC)c1 ZINC000158446756 496703699 /nfs/dbraw/zinc/70/36/99/496703699.db2.gz ABBNZZGGHIKGTP-FQEVSTJZSA-N 2 0 354.498 3.083 20 0 FGADRP CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)[C@H]1CCCCCC[C@H]1[NH3+] ZINC000574813935 505861289 /nfs/dbraw/zinc/86/12/89/505861289.db2.gz RNLYHGHEGDAFOV-LEWJYISDSA-N 2 0 372.557 3.444 20 0 FGADRP C[C@@H](C(=O)Nc1cccc(OCCC[NH+](C)C)c1)[C@@H]([NH3+])c1ccccc1 ZINC000168767437 496712150 /nfs/dbraw/zinc/71/21/50/496712150.db2.gz KYJBYWRDVHWOAC-OXQOHEQNSA-N 2 0 355.482 3.292 20 0 FGADRP CC(C)O[C@@H]1C[C@@H]([NH2+]CC2(N3CCCCC3)CC[NH+](C)CC2)C1(C)C ZINC000185231710 496712432 /nfs/dbraw/zinc/71/24/32/496712432.db2.gz UECNWTYHAVJRHP-RTBURBONSA-N 2 0 351.579 3.118 20 0 FGADRP C[C@H](C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)[C@H]([NH3+])c1ccccc1 ZINC000168999772 496713873 /nfs/dbraw/zinc/71/38/73/496713873.db2.gz VNDUNEIJUMIXQZ-YYWHXJBOSA-N 2 0 351.494 3.103 20 0 FGADRP [NH3+]CCCCCCC(=O)N[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000168949512 496714150 /nfs/dbraw/zinc/71/41/50/496714150.db2.gz SEQJQBMJRRXYGP-KRWDZBQOSA-N 2 0 371.447 3.305 20 0 FGADRP CC(=O)Nc1ccc([C@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000182267818 496723754 /nfs/dbraw/zinc/72/37/54/496723754.db2.gz WDEJDLNZLODMRA-AOMKIAJQSA-N 2 0 367.493 3.062 20 0 FGADRP C[C@@H](C[NH2+][C@@H]1C[C@@H](C)c2c1cccc2Br)N1CC[NH+](C)CC1 ZINC000246948165 496732123 /nfs/dbraw/zinc/73/21/23/496732123.db2.gz IBYBLTGNGYKMKO-JKIFEVAISA-N 2 0 366.347 3.223 20 0 FGADRP CSc1ccccc1[C@H](C)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000194843454 496733181 /nfs/dbraw/zinc/73/31/81/496733181.db2.gz UIYGAWJEXKLKRH-INIZCTEOSA-N 2 0 356.539 3.406 20 0 FGADRP CSc1ccccc1[C@H](C)[NH2+]C[C@@H](O)CN1CCc2ccccc2C1 ZINC000194846469 496734725 /nfs/dbraw/zinc/73/47/25/496734725.db2.gz HBTQOYHYNNZSJW-QFBILLFUSA-N 2 0 356.535 3.478 20 0 FGADRP CC[N@@H+]1CC[C@H]([NH2+][C@H]2CCN(c3ccc(Br)cc3)C2)[C@H](C)C1 ZINC000246979051 496741757 /nfs/dbraw/zinc/74/17/57/496741757.db2.gz JYCQLFGMHHVUJO-HFTRVMKXSA-N 2 0 366.347 3.348 20 0 FGADRP COc1ccc([C@@H](CNC(=O)CC2CC[NH+](C)CC2)[NH+]2CCCCC2)cc1 ZINC000273232966 496747824 /nfs/dbraw/zinc/74/78/24/496747824.db2.gz RXHRANUMIBOWNN-OAQYLSRUSA-N 2 0 373.541 3.070 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)CN(C)Cc2ccccc2)C1 ZINC000247077725 496771933 /nfs/dbraw/zinc/77/19/33/496771933.db2.gz VNZZWXQCRYHKES-TZIWHRDSSA-N 2 0 357.542 3.231 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H]1CCN(CC(F)(F)F)C1 ZINC000268748891 496772118 /nfs/dbraw/zinc/77/21/18/496772118.db2.gz BQNNFMYYMBYKAN-BHIYHBOVSA-N 2 0 369.475 3.371 20 0 FGADRP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)CC1 ZINC000247077578 496772913 /nfs/dbraw/zinc/77/29/13/496772913.db2.gz XKGPYQXXPHNIQX-MBOZVWFJSA-N 2 0 370.541 3.136 20 0 FGADRP CC[NH+](CC)Cc1ccccc1CNC(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1 ZINC000273373256 496786688 /nfs/dbraw/zinc/78/66/88/496786688.db2.gz HDSNYKHHRAQHCE-SFHVURJKSA-N 2 0 374.573 3.400 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCOc2ccc(Cl)cc2)[C@@H](C)C1 ZINC000247138582 496790043 /nfs/dbraw/zinc/79/00/43/496790043.db2.gz VZAHGOJWMDENEM-LPHOPBHVSA-N 2 0 354.922 3.445 20 0 FGADRP Cc1ncc([C@@H](C)[NH2+]Cc2cccc(CN3CCO[C@@H](C)C3)c2)c(C)n1 ZINC000268804436 496790821 /nfs/dbraw/zinc/79/08/21/496790821.db2.gz CELCFVGIMWTQLZ-JKSUJKDBSA-N 2 0 354.498 3.165 20 0 FGADRP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000247192543 496801742 /nfs/dbraw/zinc/80/17/42/496801742.db2.gz VTGZSGKJIBKXQT-HZPDHXFCSA-N 2 0 370.534 3.392 20 0 FGADRP C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+]CCCC[NH+](C)C ZINC000268866525 496809338 /nfs/dbraw/zinc/80/93/38/496809338.db2.gz CNEVMYVACXWKIC-ZDUSSCGKSA-N 2 0 356.308 3.098 20 0 FGADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCC1([NH+]2CCCC2)CCOCC1 ZINC000268872343 496810130 /nfs/dbraw/zinc/81/01/30/496810130.db2.gz KSNYIKBDHIEFSL-UNMCSNQZSA-N 2 0 371.569 3.132 20 0 FGADRP Cc1cccc(C[C@@H](CO)[NH2+][C@H](C)c2ccc(OCC[NH+](C)C)cc2)c1 ZINC000191613630 496832214 /nfs/dbraw/zinc/83/22/14/496832214.db2.gz OXQKIYZHSANWIA-NQIIRXRSSA-N 2 0 356.510 3.190 20 0 FGADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H](C)c1ccc(OC(F)F)c(OC)c1 ZINC000269075190 496865526 /nfs/dbraw/zinc/86/55/26/496865526.db2.gz NJUIHNNAFJVYGT-UKRRQHHQSA-N 2 0 360.445 3.304 20 0 FGADRP C[C@@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1cccc(OCc2ccccc2)c1 ZINC000269074903 496865535 /nfs/dbraw/zinc/86/55/35/496865535.db2.gz YAEGXXWSTGYXEO-GOSISDBHSA-N 2 0 354.494 3.373 20 0 FGADRP C[N@H+](C[C@@H](O)COCc1cccs1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000247697190 496908037 /nfs/dbraw/zinc/90/80/37/496908037.db2.gz WYFVWMYFQLIMEY-WOJBJXKFSA-N 2 0 374.550 3.080 20 0 FGADRP C[C@H](C(=O)Nc1ccc(N2CCC[N@H+](C)CC2)cc1)[C@H]([NH3+])c1ccccc1 ZINC000269309332 496916316 /nfs/dbraw/zinc/91/63/16/496916316.db2.gz VPHVIFUWSDJPDI-UWJYYQICSA-N 2 0 366.509 3.103 20 0 FGADRP C[C@@H]1CN(Cc2ccccn2)CC[C@H]1[NH2+]C[C@H](c1cccs1)N(C)C ZINC000247888518 496925794 /nfs/dbraw/zinc/92/57/94/496925794.db2.gz DRRFGGOGAQDWAA-BHIYHBOVSA-N 2 0 358.555 3.246 20 0 FGADRP O=C(c1ccc(C[NH+]2CCCCC2)cc1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000264544703 496925865 /nfs/dbraw/zinc/92/58/65/496925865.db2.gz BKKQJMFIBYNWBX-NRFANRHFSA-N 2 0 355.526 3.373 20 0 FGADRP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)c1ccccc1OC(F)(F)F ZINC000247952612 496932674 /nfs/dbraw/zinc/93/26/74/496932674.db2.gz FDTIPNDLBLZBJC-GJZGRUSLSA-N 2 0 360.420 3.473 20 0 FGADRP C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]C[C@H](c1ccccc1)N(C)C ZINC000247977959 496937585 /nfs/dbraw/zinc/93/75/85/496937585.db2.gz LSKQQWZAQDHPPH-BVYCBKJFSA-N 2 0 352.526 3.185 20 0 FGADRP O[C@@H]1CC[N@H+](Cc2ccccc2C[NH2+][C@H]2CCCOc3ccccc32)C1 ZINC000248434006 497010481 /nfs/dbraw/zinc/01/04/81/497010481.db2.gz DPMCZOXKCSPJJB-CTNGQTDRSA-N 2 0 352.478 3.257 20 0 FGADRP O[C@@H]1CC[N@H+](Cc2ccccc2C[NH2+][C@@H]2CCCOc3cc(F)ccc32)C1 ZINC000248433638 497010674 /nfs/dbraw/zinc/01/06/74/497010674.db2.gz DIUJRIKQWGBJKM-TZIWHRDSSA-N 2 0 370.468 3.396 20 0 FGADRP CC(C)C[N@@H+]1CC[C@H](C[NH2+]C[C@H](O)COc2ccccc2C(F)(F)F)C1 ZINC000569213745 505880320 /nfs/dbraw/zinc/88/03/20/505880320.db2.gz AYOXUFVFSYGOEH-CVEARBPZSA-N 2 0 374.447 3.013 20 0 FGADRP Cc1ccc2cc(C[NH2+]C3CCN(C4CC[NH+](C)CC4)CC3)ccc2n1 ZINC000189298422 497074151 /nfs/dbraw/zinc/07/41/51/497074151.db2.gz MZNNDOWJNHAIEO-UHFFFAOYSA-N 2 0 352.526 3.191 20 0 FGADRP COCCC1(C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)CCCCC1 ZINC000189310236 497077147 /nfs/dbraw/zinc/07/71/47/497077147.db2.gz BKJYCLXTWMWZIH-UXHICEINSA-N 2 0 352.563 3.331 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1ncc(C(C)C)s1 ZINC000192393745 497100314 /nfs/dbraw/zinc/10/03/14/497100314.db2.gz ZFQFXDFJUXMACV-OAHLLOKOSA-N 2 0 367.563 3.146 20 0 FGADRP C[C@H](C(=O)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1)[C@@H]([NH3+])c1ccccc1 ZINC000236628526 497123710 /nfs/dbraw/zinc/12/37/10/497123710.db2.gz UOYRAHYRBUROBF-QKNQBKEWSA-N 2 0 357.542 3.293 20 0 FGADRP C[C@H]1C[C@@H](NCCC[NH+]2CCCO[C@H](C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000278472181 497126630 /nfs/dbraw/zinc/12/66/30/497126630.db2.gz JURMOCJZIAWDDK-VWPQPMDRSA-N 2 0 359.558 3.130 20 0 FGADRP Cc1nn(C)c2ncc(C[NH2+]Cc3ccccc3C[N@@H+](C)C(C)C)cc12 ZINC000236661499 497128328 /nfs/dbraw/zinc/12/83/28/497128328.db2.gz MZRJYIJFLOFZLR-UHFFFAOYSA-N 2 0 351.498 3.407 20 0 FGADRP CC1CC[NH+]([C@H](CNC(=O)[C@@H](C[NH3+])c2ccccc2)c2ccccc2)CC1 ZINC000236660344 497128601 /nfs/dbraw/zinc/12/86/01/497128601.db2.gz MWHZQDNLASRFDM-FCHUYYIVSA-N 2 0 365.521 3.318 20 0 FGADRP Cc1ncncc1[C@@H](C)[NH2+]CCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000578205618 505886271 /nfs/dbraw/zinc/88/62/71/505886271.db2.gz VONJNBUWVFCKHN-QGZVFWFLSA-N 2 0 354.498 3.153 20 0 FGADRP CC(C)[C@@H](CNC(=O)C[C@H](C)C1CC[NH2+]CC1)[N@@H+]1CCc2ccccc2C1 ZINC000236682055 497131963 /nfs/dbraw/zinc/13/19/63/497131963.db2.gz IVPUEAIWXOAGDM-PGRDOPGGSA-N 2 0 371.569 3.211 20 0 FGADRP CCC(C)(C)[NH2+][C@H](C)C(=O)N1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC000274632910 497134433 /nfs/dbraw/zinc/13/44/33/497134433.db2.gz OEEDZZQHXHFQKU-QGZVFWFLSA-N 2 0 357.542 3.202 20 0 FGADRP C[NH+]1CCC(O)(C[NH2+][C@H]2CCc3c2cc(Br)cc3Cl)CC1 ZINC000270515581 497142709 /nfs/dbraw/zinc/14/27/09/497142709.db2.gz YICTVFLLQVCHRT-HNNXBMFYSA-N 2 0 373.722 3.136 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H](O)COCc1cccs1 ZINC000274786509 497165229 /nfs/dbraw/zinc/16/52/29/497165229.db2.gz AYNSXZVIMHZJKB-QFUCXCTJSA-N 2 0 374.550 3.126 20 0 FGADRP CC[NH+](CC)Cc1ccccc1CNC(=O)[C@@H](C)[C@H]([NH3+])c1ccccc1 ZINC000236907273 497167243 /nfs/dbraw/zinc/16/72/43/497167243.db2.gz FUMMYXUNILZWJF-UWJYYQICSA-N 2 0 353.510 3.481 20 0 FGADRP CC[NH+](CC)Cc1ccc(CNC(=O)[C@@H](C)[C@H]([NH3+])c2ccccc2)cc1 ZINC000236917766 497167971 /nfs/dbraw/zinc/16/79/71/497167971.db2.gz AGPCRSQFBNTKQG-UWJYYQICSA-N 2 0 353.510 3.481 20 0 FGADRP C[N@H+](CCCNC(=O)C1(c2ccccc2)CC[NH2+]CC1)C1CCCCC1 ZINC000237065749 497186455 /nfs/dbraw/zinc/18/64/55/497186455.db2.gz WDRVUUNMEANDQL-UHFFFAOYSA-N 2 0 357.542 3.079 20 0 FGADRP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)C1CC[NH+](C2CC2)CC1 ZINC000192720925 497194724 /nfs/dbraw/zinc/19/47/24/497194724.db2.gz RAXOCTJDWHXZQP-QZTJIDSGSA-N 2 0 369.553 3.134 20 0 FGADRP COCOc1ccc(OC)cc1CN1CCC(Oc2ccncc2C)CC1 ZINC000278709505 497197061 /nfs/dbraw/zinc/19/70/61/497197061.db2.gz OKFLYWDVGMKDRB-UHFFFAOYSA-N 2 0 372.465 3.425 20 0 FGADRP C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)[C@@H](C[NH3+])c2ccccc2)CC1 ZINC000237192426 497203236 /nfs/dbraw/zinc/20/32/36/497203236.db2.gz DRTLDVNCKVIPNS-QFIPXVFZSA-N 2 0 365.521 3.100 20 0 FGADRP COc1ccccc1[C@@H](CNC(=O)c1ccc(C[NH3+])cc1)[NH+]1CCCCC1 ZINC000237205036 497204113 /nfs/dbraw/zinc/20/41/13/497204113.db2.gz QSIWNEVUKOGOTN-HXUWFJFHSA-N 2 0 367.493 3.111 20 0 FGADRP COc1cccc([C@@H](CNC(=O)C[C@H]([NH3+])c2ccccc2)[NH+]2CCCC2)c1 ZINC000237282950 497214383 /nfs/dbraw/zinc/21/43/83/497214383.db2.gz BANIWTOSCXOPLI-LEWJYISDSA-N 2 0 367.493 3.038 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)c2ccc(C[NH3+])cc2)cc1 ZINC000237349116 497224489 /nfs/dbraw/zinc/22/44/89/497224489.db2.gz URXZFZLCYLCEEJ-QGZVFWFLSA-N 2 0 351.494 3.450 20 0 FGADRP CC1CC[NH+](CCc2cccc(NC(=O)N3CC[C@H](C[NH+](C)C)C3)c2)CC1 ZINC000275036722 497224690 /nfs/dbraw/zinc/22/46/90/497224690.db2.gz GIBXNVDKBLZVGD-HXUWFJFHSA-N 2 0 372.557 3.376 20 0 FGADRP CC[NH+](CC)CCOc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)cc1 ZINC000578228048 505892755 /nfs/dbraw/zinc/89/27/55/505892755.db2.gz GISBANHJXOPRQW-BHDDXSALSA-N 2 0 359.558 3.370 20 0 FGADRP C[C@@H](CC(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)C1CC[NH2+]CC1 ZINC000237462117 497240863 /nfs/dbraw/zinc/24/08/63/497240863.db2.gz RVTPSSBTLGXKGN-IRXDYDNUSA-N 2 0 363.571 3.102 20 0 FGADRP CCC[N@@H+]1CC[C@H](CNC(=O)NC[C@H](c2ccsc2)[NH+](CC)CC)C1 ZINC000249749058 497241924 /nfs/dbraw/zinc/24/19/24/497241924.db2.gz PNCKPWKXPNRVMJ-SJLPKXTDSA-N 2 0 366.575 3.162 20 0 FGADRP C[C@H](CC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)C1CC[NH2+]CC1 ZINC000237503820 497247496 /nfs/dbraw/zinc/24/74/96/497247496.db2.gz XPBXUUQBPPNRIB-XQBPLPMBSA-N 2 0 371.569 3.381 20 0 FGADRP COc1ccc([C@H](C[NH3+])C[NH+]2CCC(c3c[nH]c4ncccc34)CC2)cc1 ZINC000572124366 505896259 /nfs/dbraw/zinc/89/62/59/505896259.db2.gz SNAVCOWVTCAKDV-GOSISDBHSA-N 2 0 364.493 3.493 20 0 FGADRP Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)c1ccc(C[NH3+])cc1 ZINC000237609569 497262125 /nfs/dbraw/zinc/26/21/25/497262125.db2.gz NVPOLQVKMGORQG-UHFFFAOYSA-N 2 0 355.507 3.255 20 0 FGADRP Cc1cccc(N2CC[NH+](CCCC[NH2+]Cc3cccnc3C)CC2)c1 ZINC000237721979 497281808 /nfs/dbraw/zinc/28/18/08/497281808.db2.gz KDXOEGXQSUNLIW-UHFFFAOYSA-N 2 0 352.526 3.390 20 0 FGADRP Cc1ccc(C[NH+]2CCC(CNC(=O)c3ccc(C[NH3+])cc3)CC2)cc1 ZINC000237723227 497282114 /nfs/dbraw/zinc/28/21/14/497282114.db2.gz GINXXZHHRDCNQN-UHFFFAOYSA-N 2 0 351.494 3.096 20 0 FGADRP [NH3+]C[C@H](C(=O)NCc1ccccc1C[NH+]1CCCCC1)c1ccccc1 ZINC000237824539 497297427 /nfs/dbraw/zinc/29/74/27/497297427.db2.gz ZUHGDKZKEIIFJQ-NRFANRHFSA-N 2 0 351.494 3.031 20 0 FGADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)c2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000266309794 497301584 /nfs/dbraw/zinc/30/15/84/497301584.db2.gz NWVMZJAPUPOZCU-HXUWFJFHSA-N 2 0 357.542 3.476 20 0 FGADRP C[C@H](C(=O)N(C)C[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000253547379 497338859 /nfs/dbraw/zinc/33/88/59/497338859.db2.gz UMWASCCGQSOVJE-HDAAZOAOSA-N 2 0 357.542 3.228 20 0 FGADRP O=C(CC1CC[NH2+]CC1)NCCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000238136222 497342548 /nfs/dbraw/zinc/34/25/48/497342548.db2.gz ZSLZDGBSVYBJGE-UHFFFAOYSA-N 2 0 371.569 3.227 20 0 FGADRP CC1(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)CC[NH+](Cc2ccccc2)CC1 ZINC000275607890 497380046 /nfs/dbraw/zinc/38/00/46/497380046.db2.gz FUZYLNJWLNMMBN-VQTJNVASSA-N 2 0 355.526 3.032 20 0 FGADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)Nc2ccccc2CC[NH+](C)C)C1 ZINC000275606589 497380383 /nfs/dbraw/zinc/38/03/83/497380383.db2.gz HNUZDQMLJSGZGN-GOSISDBHSA-N 2 0 360.546 3.424 20 0 FGADRP CC[C@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)c1ccc(OC)c(OC)c1 ZINC000271583705 497390463 /nfs/dbraw/zinc/39/04/63/497390463.db2.gz XGYDVZPBZZVAPQ-SFHVURJKSA-N 2 0 373.497 3.280 20 0 FGADRP C[C@@H]1C[C@H](N(C)C(=O)[C@H]2CCCCN2Cc2ccc(F)cc2)CC[N@@H+]1C ZINC000245419262 497395570 /nfs/dbraw/zinc/39/55/70/497395570.db2.gz LNOSDIMEONXBTI-NSISKUIASA-N 2 0 361.505 3.121 20 0 FGADRP CCCN(Cc1ccc(C)cc1)C(=O)CN(C)[C@@H]1CC[N@H+](CC)C[C@H]1C ZINC000245426864 497399372 /nfs/dbraw/zinc/39/93/72/497399372.db2.gz LQKVLJAIWBWACX-TZIWHRDSSA-N 2 0 359.558 3.396 20 0 FGADRP CC[C@H](C(=O)N[C@@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21)[NH+](CC)CC ZINC000266869236 497435136 /nfs/dbraw/zinc/43/51/36/497435136.db2.gz XAQDYMAFVPFISG-RTBURBONSA-N 2 0 373.541 3.211 20 0 FGADRP CC[NH+](CC)[C@@H](C(=O)N1CC[C@](C)(C[NH3+])C1)c1cccc(C(F)(F)F)c1 ZINC000261723463 497439918 /nfs/dbraw/zinc/43/99/18/497439918.db2.gz CNIYLUNVBUTXKE-SJLPKXTDSA-N 2 0 371.447 3.286 20 0 FGADRP Cc1nn(-c2cc[nH+]cc2)cc1CN1CC[NH2+]C[C@@H]1c1ccccc1Cl ZINC000261749162 497444361 /nfs/dbraw/zinc/44/43/61/497444361.db2.gz PZGZFPYGDCVAGX-HXUWFJFHSA-N 2 0 367.884 3.376 20 0 FGADRP C[C@@]1(C[NH3+])CC[N@H+](CCC(=O)Nc2ccccc2Oc2ccccc2)C1 ZINC000261828894 497457678 /nfs/dbraw/zinc/45/76/78/497457678.db2.gz YQJRGNOOFMODSS-NRFANRHFSA-N 2 0 353.466 3.478 20 0 FGADRP C[N@H+](Cc1ccccc1CNC(=O)CC[C@@H]1CC[NH2+]C1)C1CCCCC1 ZINC000261875378 497466025 /nfs/dbraw/zinc/46/60/25/497466025.db2.gz RECLXSDEBAKSDZ-GOSISDBHSA-N 2 0 357.542 3.457 20 0 FGADRP C[NH2+]CCC1CC[NH+](CCC(=O)Nc2ccccc2Br)CC1 ZINC000261968161 497484642 /nfs/dbraw/zinc/48/46/42/497484642.db2.gz CDMIJKUGITUOMH-UHFFFAOYSA-N 2 0 368.319 3.099 20 0 FGADRP CCC(CC)(C[NH3+])C(=O)Nc1ccc(NC(=O)CC[NH+]2CCCCC2)cc1 ZINC000262002683 497489744 /nfs/dbraw/zinc/48/97/44/497489744.db2.gz PZIJPKVYGIGVSN-UHFFFAOYSA-N 2 0 374.529 3.205 20 0 FGADRP CC(C)[N@@H+](C)C[C@H](C)NC(=O)N1CC[C@H](C)[NH+](Cc2ccccc2)CC1 ZINC000581105213 505910332 /nfs/dbraw/zinc/91/03/32/505910332.db2.gz PRENYXAHFOVMCX-OALUTQOASA-N 2 0 360.546 3.021 20 0 FGADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000245680736 497499397 /nfs/dbraw/zinc/49/93/97/497499397.db2.gz IUFROUYUABRAKG-LRSLUSHPSA-N 3 0 359.558 3.128 20 0 FGADRP O=C(N[C@@H]1CCC[N@H+](CC2CC[NH2+]CC2)C1)c1ccc2ccccc2c1 ZINC000262118013 497510363 /nfs/dbraw/zinc/51/03/63/497510363.db2.gz BTCPLRFJZQDDPV-OAQYLSRUSA-N 2 0 351.494 3.034 20 0 FGADRP O=C(CC[N@H+]1CCCC[C@H]1c1ccc(C(F)(F)F)cc1)N1CC[NH2+]CC1 ZINC000262115235 497510934 /nfs/dbraw/zinc/51/09/34/497510934.db2.gz MXKFCKMILGOSMJ-KRWDZBQOSA-N 2 0 369.431 3.054 20 0 FGADRP CN(C(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+])[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000262177500 497520112 /nfs/dbraw/zinc/52/01/12/497520112.db2.gz BGBXUTXPCMTGPR-BJOMATTFSA-N 2 0 369.553 3.263 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N(C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000267313319 497523586 /nfs/dbraw/zinc/52/35/86/497523586.db2.gz CJTJLPGKZAUEFL-QCFAMHMHSA-N 2 0 372.557 3.021 20 0 FGADRP CC[NH+](CC)[C@@H](C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1)c1ccccc1 ZINC000262229802 497526628 /nfs/dbraw/zinc/52/66/28/497526628.db2.gz NSROKTUKPUPKKG-PWRODBHTSA-N 2 0 351.494 3.023 20 0 FGADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H](c1ccc(Br)s1)C1CC1 ZINC000190603003 497540722 /nfs/dbraw/zinc/54/07/22/497540722.db2.gz VSTSRJNJXNWRDC-WBMJQRKESA-N 2 0 372.376 3.187 20 0 FGADRP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])CC1 ZINC000262354632 497543693 /nfs/dbraw/zinc/54/36/93/497543693.db2.gz UVJLHJSUBTZJHM-YCWUYWEHSA-N 2 0 369.553 3.482 20 0 FGADRP COc1ccnc(CN(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1OC ZINC000190613068 497545161 /nfs/dbraw/zinc/54/51/61/497545161.db2.gz SHNHCDQCOXXUBY-SFHVURJKSA-N 2 0 355.482 3.053 20 0 FGADRP Cc1c(F)cccc1NC(=O)CC[NH2+]Cc1cccc(OCC[NH+](C)C)c1 ZINC000578316175 505913215 /nfs/dbraw/zinc/91/32/15/505913215.db2.gz PWNNJYJTNFHLSA-UHFFFAOYSA-N 2 0 373.472 3.193 20 0 FGADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])C1 ZINC000262394110 497549722 /nfs/dbraw/zinc/54/97/22/497549722.db2.gz ZCJKYPOTVTUFPH-FECVVGHTSA-N 2 0 355.526 3.092 20 0 FGADRP Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)[C@]12C[NH2+]C[C@@H]1CCCC2 ZINC000262402416 497550825 /nfs/dbraw/zinc/55/08/25/497550825.db2.gz PPNLEHAKUWLYQL-GHTZIAJQSA-N 2 0 373.566 3.262 20 0 FGADRP CC[NH+](CC)CCn1ccc2cc(NC(=O)[C@H]3CC[NH2+][C@@H](C)C3)ccc21 ZINC000262405510 497551597 /nfs/dbraw/zinc/55/15/97/497551597.db2.gz OQTUQNPIXLKIMI-WMZOPIPTSA-N 2 0 356.514 3.310 20 0 FGADRP C[C@@H](CCc1ccc(I)cc1)[NH2+]CC1CC[NH2+]CC1 ZINC000569349487 505913874 /nfs/dbraw/zinc/91/38/74/505913874.db2.gz BGKXNZDURQFAMP-ZDUSSCGKSA-N 2 0 372.294 3.202 20 0 FGADRP CC(=O)N1CCC[C@H](C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000279860029 497567620 /nfs/dbraw/zinc/56/76/20/497567620.db2.gz SMWJTAVAQBOAOX-KAOXLYBCSA-N 2 0 369.553 3.135 20 0 FGADRP CC[NH+](CC)CCOc1ccc(C(=O)N2CCC([NH2+]CC3CC3)CC2)cc1 ZINC000262577780 497577056 /nfs/dbraw/zinc/57/70/56/497577056.db2.gz GYDZNHWDIZICFX-UHFFFAOYSA-N 2 0 373.541 3.011 20 0 FGADRP C[C@@H]1CN(Cc2cccc(C[NH2+][C@@H]3[C@H]4CCCO[C@H]4C3(C)C)c2)CCO1 ZINC000245933577 497576999 /nfs/dbraw/zinc/57/69/99/497576999.db2.gz SVNTYSBTRJVTHF-QYRPDUKASA-N 2 0 358.526 3.201 20 0 FGADRP O=C1[C@@H](N2CC[C@@H](C[NH+]3CCCCC3)C2)CCCN1c1ccccc1F ZINC000245936604 497578644 /nfs/dbraw/zinc/57/86/44/497578644.db2.gz ZPCNPVRIDVLNER-PXNSSMCTSA-N 2 0 359.489 3.129 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)[C@H]([NH3+])c1ccc(C)cc1)c1cccc(OC)c1 ZINC000262607792 497581800 /nfs/dbraw/zinc/58/18/00/497581800.db2.gz BFSUXKQGCBVVDL-NHCUHLMSSA-N 2 0 369.509 3.203 20 0 FGADRP Cc1ccc([C@H]([NH3+])C(=O)Nc2cccc(C[NH+]3CCSCC3)c2)cc1 ZINC000262645141 497591287 /nfs/dbraw/zinc/59/12/87/497591287.db2.gz JWWOMNOTXSDBSW-IBGZPJMESA-N 2 0 355.507 3.182 20 0 FGADRP CC[NH+](CC)CCOc1ccc(CNC(=O)[C@H]([NH3+])c2ccc(C)cc2)cc1 ZINC000262684036 497600094 /nfs/dbraw/zinc/60/00/94/497600094.db2.gz XCQBEVFNKBYEIS-OAQYLSRUSA-N 2 0 369.509 3.032 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](C[C@@H](O)COc2ccccc2)CC1 ZINC000246050431 497605140 /nfs/dbraw/zinc/60/51/40/497605140.db2.gz PZCQKJDRLFOELN-TZIWHRDSSA-N 2 0 360.542 3.403 20 0 FGADRP C[C@@H](NC(=O)N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1)C(C)(C)C[NH+](C)C ZINC000246123919 497630083 /nfs/dbraw/zinc/63/00/83/497630083.db2.gz AIWXBHIFGAKDPI-RTBURBONSA-N 2 0 374.573 3.269 20 0 FGADRP C[C@@H](NC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)C(C)(C)C[NH+](C)C ZINC000246144248 497637473 /nfs/dbraw/zinc/63/74/73/497637473.db2.gz CCRDKECQMCLKQR-QWFCFKBJSA-N 2 0 374.573 3.315 20 0 FGADRP CC[NH+](CC)CCOc1ccc(C[NH2+]Cc2ccnn2C(C)C)cc1OC ZINC000280070177 497638569 /nfs/dbraw/zinc/63/85/69/497638569.db2.gz XPKRBJGBGNIVOS-UHFFFAOYSA-N 2 0 374.529 3.483 20 0 FGADRP COc1cc(C[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H]2CO)ccc1C ZINC000194413498 497658610 /nfs/dbraw/zinc/65/86/10/497658610.db2.gz DFIYUSFICFEIFI-OAQYLSRUSA-N 2 0 354.494 3.250 20 0 FGADRP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)C[C@H]([NH3+])c1ccccc1 ZINC000262943364 497662984 /nfs/dbraw/zinc/66/29/84/497662984.db2.gz USAOTGXEFJXCNB-OPYAIIAOSA-N 2 0 365.521 3.349 20 0 FGADRP C[C@H](C[NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1)c1ccccc1 ZINC000194434085 497665856 /nfs/dbraw/zinc/66/58/56/497665856.db2.gz HHVUCOPQBXTEEM-GCJKJVERSA-N 2 0 365.521 3.277 20 0 FGADRP Cc1cc(NC(=O)[C@@H](C)N2CCC(n3c(C)nc4ccccc43)CC2)on1 ZINC000280173196 497671189 /nfs/dbraw/zinc/67/11/89/497671189.db2.gz GHEKTTDXNNHTSL-CQSZACIVSA-N 2 0 367.453 3.305 20 0 FGADRP C[NH+](C)CCCOc1cnccc1C[NH2+]Cc1ccc(F)c2cccnc12 ZINC000569383872 505922103 /nfs/dbraw/zinc/92/21/03/505922103.db2.gz CKMLWZMMZSNWCT-UHFFFAOYSA-N 2 0 368.456 3.389 20 0 FGADRP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)NCC(C)(C)[NH2+][C@H](C)c2ccccc2)C1 ZINC000246269182 497679216 /nfs/dbraw/zinc/67/92/16/497679216.db2.gz AIWLPQMSEYHIHU-MOPGFXCFSA-N 2 0 374.573 3.393 20 0 FGADRP C[C@@]1([NH3+])CCCC[C@@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000263028832 497685100 /nfs/dbraw/zinc/68/51/00/497685100.db2.gz RQAWLWHKETUSTM-RTFFYQOYSA-N 2 0 355.526 3.206 20 0 FGADRP CCc1ccc([C@H](CNC(=O)N(C)[C@@H]2CC[N@@H+](CC)C[C@H]2C)[NH+](C)C)cc1 ZINC000246315052 497694182 /nfs/dbraw/zinc/69/41/82/497694182.db2.gz BOJUBRVKZALGFH-UIFIKXQLSA-N 2 0 374.573 3.223 20 0 FGADRP C[C@]1(O)CCC[NH+](Cc2ccccc2C[N@H+]2CCC[C@](C)(O)CC2)CC1 ZINC000280257141 497698127 /nfs/dbraw/zinc/69/81/27/497698127.db2.gz XLNAJYIDNMWRSG-VXKWHMMOSA-N 2 0 360.542 3.160 20 0 FGADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)C1 ZINC000246350396 497705426 /nfs/dbraw/zinc/70/54/26/497705426.db2.gz MLXTTWLSSZSKBS-QZTJIDSGSA-N 2 0 354.583 3.020 20 0 FGADRP CCC(CC)[C@H](CNC(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1)[NH+]1CCCC1 ZINC000246422205 497729423 /nfs/dbraw/zinc/72/94/23/497729423.db2.gz SPJOMVMBQOTPEC-UHOSZYNNSA-N 2 0 352.567 3.011 20 0 FGADRP CCC(CC)[C@H](CNC(=O)N(C)[C@@H]1CC[N@H+](CC)C[C@H]1C)[NH+]1CCCC1 ZINC000246451418 497739036 /nfs/dbraw/zinc/73/90/36/497739036.db2.gz OIFQGLDCBZDVBZ-RLLQIKCJSA-N 2 0 366.594 3.259 20 0 FGADRP CC[NH+](CC)Cc1ccc(CNC(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])cc1 ZINC000263239724 497740697 /nfs/dbraw/zinc/74/06/97/497740697.db2.gz KVTGPNJOHKACTB-WHSGIHJSSA-N 2 0 357.542 3.298 20 0 FGADRP Cc1ncc([C@@H](C)NC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)c(C)n1 ZINC000277136289 497751671 /nfs/dbraw/zinc/75/16/71/497751671.db2.gz OVAAOEFFNLEFKX-UZLBHIALSA-N 2 0 354.498 3.035 20 0 FGADRP C[NH+](C)CCNC(=O)c1ccc(C[NH2+][C@H](c2cccnc2)C2CCC2)cc1 ZINC000280429664 497751826 /nfs/dbraw/zinc/75/18/26/497751826.db2.gz BTUCSRQQELSUMS-NRFANRHFSA-N 2 0 366.509 3.004 20 0 FGADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H](C)Cc1ccccc1C(F)(F)F ZINC000280450937 497758129 /nfs/dbraw/zinc/75/81/29/497758129.db2.gz DJECXENQLQKOAE-HOTGVXAUSA-N 2 0 357.464 3.252 20 0 FGADRP CC(C)[C@@H](C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCCCC1 ZINC000194750741 497759654 /nfs/dbraw/zinc/75/96/54/497759654.db2.gz URCDHHZUKIOWMI-RTWAWAEBSA-N 2 0 357.542 3.135 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N(C)[C@H]1CC[N@H+](CC)C[C@@H]1C)c1ccccc1 ZINC000246531205 497765374 /nfs/dbraw/zinc/76/53/74/497765374.db2.gz VTMDOUDKKPQIHG-SESVDKBCSA-N 2 0 374.573 3.441 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H]2C[C@@H](C)[NH+](Cc3ccccc3)C2)[C@@H](C)C1 ZINC000246564052 497775502 /nfs/dbraw/zinc/77/55/02/497775502.db2.gz YCVQAFIPGHDENG-ZSXPUABSSA-N 2 0 372.557 3.021 20 0 FGADRP C[C@@H](OC[C@H](O)C[NH2+]C1CCC(C[NH+](C)C)CC1)c1ccc(Cl)cc1 ZINC000572274671 505931290 /nfs/dbraw/zinc/93/12/90/505931290.db2.gz KQBPJQCQIUAKJC-AZNSAFFESA-N 2 0 368.949 3.489 20 0 FGADRP C[N@@H+]1CCC[C@@H](CNC(=O)c2coc(C[NH3+])c2)[C@H]1c1cccc(Cl)c1 ZINC000364218685 497845603 /nfs/dbraw/zinc/84/56/03/497845603.db2.gz XBJYPFVKQAUTKS-KBXCAEBGSA-N 2 0 361.873 3.205 20 0 FGADRP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000578429648 505937689 /nfs/dbraw/zinc/93/76/89/505937689.db2.gz QQSZEOJFRHBKRD-CEXWTWQISA-N 2 0 374.529 3.075 20 0 FGADRP COc1ccc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1OCc1cccnc1 ZINC000569485049 505945585 /nfs/dbraw/zinc/94/55/85/505945585.db2.gz FLHXSVRTKAJCMG-BGYRXZFFSA-N 2 0 367.493 3.101 20 0 FGADRP Cn1nccc1[C@H]1CCC[C@H]([NH2+]CCCN2CCc3ccccc3C2)C1 ZINC000572350341 505947524 /nfs/dbraw/zinc/94/75/24/505947524.db2.gz DKNMXYFJIZZMBO-FPOVZHCZSA-N 2 0 352.526 3.484 20 0 FGADRP CCN1CC[NH+](CCCC[NH2+][C@@H]2CCCc3nc(Cl)ccc32)CC1 ZINC000296204771 497954794 /nfs/dbraw/zinc/95/47/94/497954794.db2.gz ZCPTWUIOOUAFGV-QGZVFWFLSA-N 2 0 350.938 3.120 20 0 FGADRP OC1(CN2CCOCC2)CC[NH+](Cc2ccc(-c3ccsc3)cc2)CC1 ZINC000364456100 497965934 /nfs/dbraw/zinc/96/59/34/497965934.db2.gz CVEAEHLWTQSIMD-UHFFFAOYSA-N 2 0 372.534 3.074 20 0 FGADRP COc1cccc(-c2nc(C[N@H+]3CC[C@H]4C[NH2+]C[C@H]4CC3)cs2)c1OC ZINC000581313414 505958364 /nfs/dbraw/zinc/95/83/64/505958364.db2.gz DSRMYBJPEMJQOE-GASCZTMLSA-N 2 0 373.522 3.259 20 0 FGADRP C[C@H](NC(=O)c1ccc(CC[NH+](C)C)cc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000581320021 505960350 /nfs/dbraw/zinc/96/03/50/505960350.db2.gz QWJAXFYJIWFYHC-PXNSSMCTSA-N 2 0 357.542 3.174 20 0 FGADRP C[C@H]([NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1cncc(Br)c1 ZINC000578523922 505960777 /nfs/dbraw/zinc/96/07/77/505960777.db2.gz VLQYBRRDMKKGOC-ZNMIVQPWSA-N 2 0 370.335 3.384 20 0 FGADRP Fc1cc(C[NH2+]CCCC[NH+]2CCN(c3ccccc3)CC2)c(F)cn1 ZINC000296330583 498001282 /nfs/dbraw/zinc/00/12/82/498001282.db2.gz HSHAKBPJNIGYJW-UHFFFAOYSA-N 2 0 360.452 3.052 20 0 FGADRP C[N@@H+]1CCN(CCC[NH2+][C@@H]2CCOC3(CCC3)C2)[C@H](c2ccccc2)C1 ZINC000296398023 498027687 /nfs/dbraw/zinc/02/76/87/498027687.db2.gz LKGXTGHLQZBPSR-RTWAWAEBSA-N 2 0 357.542 3.057 20 0 FGADRP C[NH+](C)CCc1ccc(CNC(=O)c2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000578554561 505966500 /nfs/dbraw/zinc/96/65/00/505966500.db2.gz RYTVVJOLHMPHQP-UHFFFAOYSA-N 2 0 365.521 3.317 20 0 FGADRP C[C@@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]Cc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000581364226 505971948 /nfs/dbraw/zinc/97/19/48/505971948.db2.gz LFJRCOWHXKERLD-CBJMIOPYSA-N 2 0 359.558 3.006 20 0 FGADRP COCCOCc1ccc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000289262380 498082553 /nfs/dbraw/zinc/08/25/53/498082553.db2.gz MUPIFWMUHCXNFB-RBBKRZOGSA-N 2 0 358.526 3.298 20 0 FGADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)N[C@@H](c1nccn1C)C1CC1 ZINC000581387718 505976245 /nfs/dbraw/zinc/97/62/45/505976245.db2.gz INVVOBMMHCSMNO-LJQANCHMSA-N 2 0 369.513 3.165 20 0 FGADRP CC[C@@H](CO)[NH+]1CCN(c2cc(C)[nH+]c3ccc(OC(F)F)cc32)CC1 ZINC000301421923 498102298 /nfs/dbraw/zinc/10/22/98/498102298.db2.gz CYJOOIJQMOOTQU-AWEZNQCLSA-N 2 0 365.424 3.038 20 0 FGADRP C/C(=C\c1ccccc1OC(F)F)C[NH2+][C@H](C)CCN1CC[NH+](C)CC1 ZINC000289489695 498166076 /nfs/dbraw/zinc/16/60/76/498166076.db2.gz KWVTZNYSTLGIFV-FYPAKXHLSA-N 2 0 367.484 3.307 20 0 FGADRP Cc1nn(C)c(C)c1C[NH2+][C@@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21 ZINC000360253057 498261395 /nfs/dbraw/zinc/26/13/95/498261395.db2.gz GAPGRTYZVPKXRA-LJQANCHMSA-N 2 0 354.498 3.115 20 0 FGADRP COC[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccc(-c3c[nH]cn3)cc2)CC1 ZINC000569781304 506014061 /nfs/dbraw/zinc/01/40/61/506014061.db2.gz DIVLBESIILQNTH-HOTGVXAUSA-N 2 0 356.470 3.152 20 0 FGADRP C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@H]1[NH2+]CCc1csc(C(C)(C)C)n1 ZINC000360813108 498313927 /nfs/dbraw/zinc/31/39/27/498313927.db2.gz WCMQLUYIZOMXLH-KBAYOESNSA-N 2 0 365.587 3.462 20 0 FGADRP Cc1cc([C@@H]2CCCN2C[C@H](O)C[N@@H+](C)C2CC2)ccc1Br ZINC000575840398 506014566 /nfs/dbraw/zinc/01/45/66/506014566.db2.gz REJSHFPJZMSKLO-AEFFLSMTSA-N 2 0 367.331 3.350 20 0 FGADRP CC[C@H]([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)c1ccc(C(=O)OC)cc1 ZINC000293248444 498321208 /nfs/dbraw/zinc/32/12/08/498321208.db2.gz BLIHVSUSWYHTDJ-UZLBHIALSA-N 2 0 360.498 3.015 20 0 FGADRP Cc1nccn1CCCC[NH2+][C@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)cc1 ZINC000365190628 498342936 /nfs/dbraw/zinc/34/29/36/498342936.db2.gz IAKFSAGAZZUHJZ-PKOBYXMFSA-N 2 0 360.889 3.187 20 0 FGADRP C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)c2ccccc2CC[NH3+])CC1 ZINC000572657555 506022450 /nfs/dbraw/zinc/02/24/50/506022450.db2.gz MMFFFPJHCXABIX-SFHVURJKSA-N 2 0 357.542 3.305 20 0 FGADRP O=C(Nc1ccc2c(c1)C[NH2+]CC2)NC1CC[NH+](CC2CCCC2)CC1 ZINC000581596204 506024240 /nfs/dbraw/zinc/02/42/40/506024240.db2.gz GHAVMMMIBBLERU-UHFFFAOYSA-N 2 0 356.514 3.108 20 0 FGADRP O=C1O[C@@H](C[NH+]2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)CC12CCC2 ZINC000365278948 498385102 /nfs/dbraw/zinc/38/51/02/498385102.db2.gz XGFZHDNWOMXGPE-HXUWFJFHSA-N 2 0 368.521 3.460 20 0 FGADRP C[C@@H](C(=O)NC1CC[NH+](Cc2ccsc2)CC1)[C@@H]([NH3+])c1ccccc1 ZINC000361723456 498423735 /nfs/dbraw/zinc/42/37/35/498423735.db2.gz QCPZNHJCUUUMAA-DNVCBOLYSA-N 2 0 357.523 3.165 20 0 FGADRP [NH3+][C@H]1CCCO[C@H]1C1CC[NH+](Cc2cccc(-c3cccnc3)c2)CC1 ZINC000572702457 506032178 /nfs/dbraw/zinc/03/21/78/506032178.db2.gz KLOGSJGROPHDTR-VXKWHMMOSA-N 2 0 351.494 3.467 20 0 FGADRP O[C@@H](C[NH2+]CC1CC[NH+](Cc2cccs2)CC1)COCc1ccccc1 ZINC000581662140 506039587 /nfs/dbraw/zinc/03/95/87/506039587.db2.gz YAMRZEBDAMZXRU-FQEVSTJZSA-N 2 0 374.550 3.127 20 0 FGADRP Cc1ccccc1[C@H]([C@H](C)NC(=O)c1ccccc1C[NH+](C)C)[NH+](C)C ZINC000569878755 506036842 /nfs/dbraw/zinc/03/68/42/506036842.db2.gz JRUKKBWHQIOBQT-UWJYYQICSA-N 2 0 353.510 3.478 20 0 FGADRP Cc1ccccc1[C@H]([C@@H](C)NC(=O)c1ccccc1C[NH+](C)C)[NH+](C)C ZINC000569878754 506036999 /nfs/dbraw/zinc/03/69/99/506036999.db2.gz JRUKKBWHQIOBQT-UTKZUKDTSA-N 2 0 353.510 3.478 20 0 FGADRP C[C@H](C(=O)N1CCC[C@H]1c1cccs1)[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000578868018 506040774 /nfs/dbraw/zinc/04/07/74/506040774.db2.gz LUXMCAFQZPJEMF-NXHRZFHOSA-N 2 0 361.555 3.122 20 0 FGADRP C[C@@H]1C[N@H+](CCC[NH2+][C@@H](C[C@@H]2CCOC2)c2ccc(F)cc2)CCCO1 ZINC000293793194 498491106 /nfs/dbraw/zinc/49/11/06/498491106.db2.gz UNGPLUMHQOZCCR-LQWHRVPQSA-N 2 0 364.505 3.384 20 0 FGADRP C[NH+]1CCC([C@@H]2CC[N@H+](Cc3ccc(Cl)cc3-n3cncn3)C2)CC1 ZINC000290328757 498510533 /nfs/dbraw/zinc/51/05/33/498510533.db2.gz DNHHPTRXOJOTFU-MRXNPFEDSA-N 2 0 359.905 3.084 20 0 FGADRP C[C@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000297627947 498516614 /nfs/dbraw/zinc/51/66/14/498516614.db2.gz LUDQSTOJGDESBQ-AVRDEDQJSA-N 2 0 350.510 3.161 20 0 FGADRP C[C@H](CC[NH2+]C[C@@H](O)Cc1ccccc1C(F)(F)F)[NH+]1CCCCC1 ZINC000569961186 506057014 /nfs/dbraw/zinc/05/70/14/506057014.db2.gz ADBOSMJQFJZUNH-WBVHZDCISA-N 2 0 358.448 3.463 20 0 FGADRP CN1CC[C@@H](Nc2cc(NCC3CC3)ncn2)[C@H]1c1ccc(F)c(F)c1 ZINC000302816760 498586361 /nfs/dbraw/zinc/58/63/61/498586361.db2.gz ILMVOCMWIVBGGQ-VQIMIIECSA-N 2 0 359.424 3.434 20 0 FGADRP CN(c1ccccc1C[N@@H+]1CCC[C@@]1(C)CCCO)C1CC[NH+](C)CC1 ZINC000290553772 498595556 /nfs/dbraw/zinc/59/55/56/498595556.db2.gz RYNPEIFGKMUBSE-QFIPXVFZSA-N 2 0 359.558 3.344 20 0 FGADRP C[C@@H]([NH2+]CC[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)C(C)(C)n1cncn1 ZINC000576032388 506060496 /nfs/dbraw/zinc/06/04/96/506060496.db2.gz JRXRXFJVAAPRGO-GGPKGHCWSA-N 2 0 355.530 3.292 20 0 FGADRP O=C(NCc1ccc2c[nH+]cn2c1)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000297955145 498621292 /nfs/dbraw/zinc/62/12/92/498621292.db2.gz WGTFJIAAIXMJHK-QGZVFWFLSA-N 2 0 369.494 3.032 20 0 FGADRP C[C@H]1CCC[C@](CNC(=O)NCC(C)(C)[NH+]2CCCCC2)([NH+](C)C)C1 ZINC000303059342 498644988 /nfs/dbraw/zinc/64/49/88/498644988.db2.gz ZZSVTKYABDBXOL-PXNSSMCTSA-N 2 0 352.567 3.061 20 0 FGADRP Fc1ccc(C2OCCO2)c(Cl)c1CN[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000365835256 498661579 /nfs/dbraw/zinc/66/15/79/498661579.db2.gz DEBMHHSOPCVZAY-STQMWFEESA-N 2 0 354.853 3.241 20 0 FGADRP C[C@@H](CNC(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1)[N@H+](C)C1CC1 ZINC000303297281 498662404 /nfs/dbraw/zinc/66/24/04/498662404.db2.gz YCHXBXODQGFTQK-SFHVURJKSA-N 2 0 372.557 3.345 20 0 FGADRP FC(F)(F)COc1cnccc1C[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000298122851 498670446 /nfs/dbraw/zinc/67/04/46/498670446.db2.gz PLZNQZSJPBGRAD-UHFFFAOYSA-N 2 0 366.387 3.176 20 0 FGADRP CC[NH+](CC)Cc1ccc(CNC(=O)NC[C@H]2CCCC[N@@H+]2CC)cc1 ZINC000303434846 498673343 /nfs/dbraw/zinc/67/33/43/498673343.db2.gz DFICZRZCLCIZQF-HXUWFJFHSA-N 2 0 360.546 3.202 20 0 FGADRP Cc1noc(C[C@@H]([NH2+]C2CCN(c3cc[nH+]cc3)CC2)c2ccccc2)n1 ZINC000298148230 498677845 /nfs/dbraw/zinc/67/78/45/498677845.db2.gz RGTCZNKXWUHQOC-HXUWFJFHSA-N 2 0 363.465 3.315 20 0 FGADRP C[NH+](C)Cc1ccccc1C(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000365866274 498678067 /nfs/dbraw/zinc/67/80/67/498678067.db2.gz LWXYSQIWKRKCPW-FQEVSTJZSA-N 2 0 365.521 3.390 20 0 FGADRP CCc1ccc([C@H](CNC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)[NH+](C)C)cc1 ZINC000287237554 498683149 /nfs/dbraw/zinc/68/31/49/498683149.db2.gz SOULZBSCPYFFGN-JKWVGCSGSA-N 2 0 372.557 3.118 20 0 FGADRP C[NH+](C)Cc1ccccc1C(=O)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000363173943 498686867 /nfs/dbraw/zinc/68/68/67/498686867.db2.gz OPLJVECEUUHXPF-UHFFFAOYSA-N 2 0 351.494 3.096 20 0 FGADRP Cc1nn(-c2cc[nH+]cc2)cc1CN[C@H]1c2sccc2OC(C)(C)[C@@H]1O ZINC000581869961 506078815 /nfs/dbraw/zinc/07/88/15/506078815.db2.gz BGFWEBZBQYKFQG-FUHWJXTLSA-N 2 0 370.478 3.000 20 0 FGADRP C[C@@H]1[C@H]([NH2+]C2CCN(c3nccs3)CC2)CCN1Cc1ccccc1 ZINC000287421400 498750347 /nfs/dbraw/zinc/75/03/47/498750347.db2.gz SHJUJTXYBQNSCD-VQIMIIECSA-N 2 0 356.539 3.365 20 0 FGADRP [NH3+][C@@H](CCC(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000311902119 498755666 /nfs/dbraw/zinc/75/56/66/498755666.db2.gz FYJCGCUVUFWHDX-FPOVZHCZSA-N 2 0 351.494 3.105 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)NC[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000572944665 506089485 /nfs/dbraw/zinc/08/94/85/506089485.db2.gz WMSNJWWSIXQXLF-YZGWKJHDSA-N 2 0 364.578 3.190 20 0 FGADRP C[C@@H]1CN(Cc2ccccc2NC(=O)[C@@H]2CCCc3nc[nH]c32)C[C@@H](C)O1 ZINC000366181475 498810739 /nfs/dbraw/zinc/81/07/39/498810739.db2.gz JHTFHJWRBGYSTJ-BFYDXBDKSA-N 2 0 368.481 3.078 20 0 FGADRP C[NH+]1CCC(CC[NH2+]C[C@@H](O)COc2ccc(Cl)c(Cl)c2)CC1 ZINC000323361276 498821052 /nfs/dbraw/zinc/82/10/52/498821052.db2.gz BYYOAOWRLHOPGD-CQSZACIVSA-N 2 0 361.313 3.055 20 0 FGADRP CCCN(CCC)C(=O)CN1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000576197165 506099225 /nfs/dbraw/zinc/09/92/25/506099225.db2.gz YDMSILFAHVCMLW-RTWAWAEBSA-N 2 0 357.542 3.089 20 0 FGADRP CCn1ccnc1[C@H]1CCCCN1C(=O)NC[C@H]1CC[N@H+](CC(C)C)C1 ZINC000332985118 498858115 /nfs/dbraw/zinc/85/81/15/498858115.db2.gz DJWXMXYHSPARSH-QZTJIDSGSA-N 2 0 361.534 3.118 20 0 FGADRP Cc1ccccc1[C@@H]([NH3+])C(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000294958140 498862972 /nfs/dbraw/zinc/86/29/72/498862972.db2.gz FSKFYJZVOYGXFE-LJQANCHMSA-N 2 0 355.507 3.182 20 0 FGADRP Cc1c[nH+]ccc1N1CCC(C(=O)Nc2ccc(CC[NH+](C)C)cc2)CC1 ZINC000363560701 498879816 /nfs/dbraw/zinc/87/98/16/498879816.db2.gz RQEFIIZPNKMREX-UHFFFAOYSA-N 2 0 366.509 3.349 20 0 FGADRP COC[C@]1(C[NH2+]C2CC[NH+](C3CCCC3)CC2)OCCc2ccccc21 ZINC000579168464 506108112 /nfs/dbraw/zinc/10/81/12/506108112.db2.gz LMQWFWHEFJQJQI-QFIPXVFZSA-N 2 0 358.526 3.098 20 0 FGADRP CCC[N@H+](CC)C[C@H](C)NC(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000579182390 506111299 /nfs/dbraw/zinc/11/12/99/506111299.db2.gz WSRVDUOBBHCTGL-ROUUACIJSA-N 2 0 364.534 3.226 20 0 FGADRP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)C[C@H](c2ccccc2)C1 ZINC000333208013 498937390 /nfs/dbraw/zinc/93/73/90/498937390.db2.gz ZEGPWRLBJCYBQY-JKKPUEDXSA-N 2 0 369.553 3.195 20 0 FGADRP CC1CC[NH+](Cc2ccc(CNC(=O)C[C@@H]3CCCC[C@H]3[NH3+])cc2)CC1 ZINC000573115970 506122340 /nfs/dbraw/zinc/12/23/40/506122340.db2.gz YOTRXQRVGXZDEQ-LEWJYISDSA-N 2 0 357.542 3.442 20 0 FGADRP Cc1nn(C)c(N2CCC[N@H+](C)CC2)c1C[NH2+][C@H](C)c1cccc(C)c1C ZINC000363785197 498991043 /nfs/dbraw/zinc/99/10/43/498991043.db2.gz OJTJARHPLXYJHW-GOSISDBHSA-N 2 0 369.557 3.338 20 0 FGADRP C[C@@H]1CN(C(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)CC[N@@H+](C2CC2)C1 ZINC000295413190 499009818 /nfs/dbraw/zinc/00/98/18/499009818.db2.gz SNNJCIHGCZIJLV-IBGZPJMESA-N 2 0 369.553 3.231 20 0 FGADRP COc1ccc(OC)c(C[NH2+]Cc2ccc(OC3CC[NH+](C)CC3)cc2)c1 ZINC000283907494 499010978 /nfs/dbraw/zinc/01/09/78/499010978.db2.gz IDKXNHFTFGTKPN-UHFFFAOYSA-N 2 0 370.493 3.467 20 0 FGADRP C[NH+](C)CCCOc1cnccc1CNCc1cccc(Cl)c1F ZINC000288438934 499024509 /nfs/dbraw/zinc/02/45/09/499024509.db2.gz CBOXMTGJDVEVTQ-UHFFFAOYSA-N 2 0 351.853 3.494 20 0 FGADRP O=C(Nc1cccc(C[NH+]2CCSCC2)c1)c1ccc2c[nH+]cn2c1 ZINC000284066369 499041238 /nfs/dbraw/zinc/04/12/38/499041238.db2.gz VOQRRVWJULFWNE-UHFFFAOYSA-N 2 0 352.463 3.135 20 0 FGADRP C[C@H](NC(=O)N1CC(C)(C)[C@@H]1c1nccn1C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000333616980 499043619 /nfs/dbraw/zinc/04/36/19/499043619.db2.gz OZXDUBJTRMHFKJ-BQFCYCMXSA-N 2 0 373.545 3.166 20 0 FGADRP c1ccc(C[N@@H+]2CCCO[C@H](CN3CCC[C@H]([NH+]4CCCC4)CC3)C2)cc1 ZINC000284196589 499066551 /nfs/dbraw/zinc/06/65/51/499066551.db2.gz SESIWDUNDRESSO-XZOQPEGZSA-N 2 0 371.569 3.228 20 0 FGADRP CC(C)Oc1ccc([C@H](C)[NH2+]C[C@@H](C)N2CC[NH+](C)CC2)cc1Cl ZINC000284216094 499070711 /nfs/dbraw/zinc/07/07/11/499070711.db2.gz HAYWLOGGIKTDQU-CVEARBPZSA-N 2 0 353.938 3.414 20 0 FGADRP OC1CC[NH+](Cc2ccccc2CNc2cc[nH+]cc2-c2cccnc2)CC1 ZINC000366804420 499079230 /nfs/dbraw/zinc/07/92/30/499079230.db2.gz KNFMQBUHYALRAS-UHFFFAOYSA-N 2 0 374.488 3.134 20 0 FGADRP CCOc1ccccc1C[N@H+](CCCn1ccnc1)CCc1ccnn1C ZINC000284325483 499088789 /nfs/dbraw/zinc/08/87/89/499088789.db2.gz IHTKYSODSSMMJV-UHFFFAOYSA-N 2 0 367.497 3.150 20 0 FGADRP Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+]C[C@@H](C(C)C)N2CC[NH+](C)CC2)C1 ZINC000366960926 499122819 /nfs/dbraw/zinc/12/28/19/499122819.db2.gz UFVBRGGLVKJNBQ-NJYVYQBISA-N 2 0 358.574 3.278 20 0 FGADRP CCC[C@H](CC)NC(=O)N(C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000370261762 499203269 /nfs/dbraw/zinc/20/32/69/499203269.db2.gz SASKLAPPQMLINX-IBGZPJMESA-N 2 0 366.594 3.403 20 0 FGADRP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCC(n2cc(Br)cn2)CC1 ZINC000370488841 499225346 /nfs/dbraw/zinc/22/53/46/499225346.db2.gz UNAMMPRXEOYFBQ-OAHLLOKOSA-N 2 0 355.324 3.157 20 0 FGADRP C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000370676628 499243317 /nfs/dbraw/zinc/24/33/17/499243317.db2.gz MOROMUSSFUTGSW-NXHRZFHOSA-N 2 0 363.933 3.293 20 0 FGADRP C[C@H]1C[N@H+](Cc2cccc(-c3cccnc3)c2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000370705832 499246153 /nfs/dbraw/zinc/24/61/53/499246153.db2.gz JOFWWFBXPGPUGM-CVDCTZTESA-N 2 0 364.537 3.206 20 0 FGADRP Cn1cc([C@@H]2[C@H](C[NH2+]Cc3cc(F)c(F)cc3F)CCCN2C)cn1 ZINC000370715414 499247547 /nfs/dbraw/zinc/24/75/47/499247547.db2.gz SKHHXPHDZFKFMI-SGTLLEGYSA-N 2 0 352.404 3.010 20 0 FGADRP C[NH2+]C[C@H](C)C(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000370772935 499253309 /nfs/dbraw/zinc/25/33/09/499253309.db2.gz MSBFXYJGXAIOMJ-LXZKKBNFSA-N 2 0 371.447 3.060 20 0 FGADRP C[N@H+](Cc1ccc(CO)cc1)[C@@H]1CCC[NH+](Cc2ccc(CO)cc2)CC1 ZINC000368055085 499260337 /nfs/dbraw/zinc/26/03/37/499260337.db2.gz DFNKAKMGPPCRBW-HSZRJFAPSA-N 2 0 368.521 3.158 20 0 FGADRP CN(C)c1ncccc1CN[C@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21 ZINC000368161727 499270235 /nfs/dbraw/zinc/27/02/35/499270235.db2.gz XMZGPCJTFRROOM-IBGZPJMESA-N 2 0 366.509 3.225 20 0 FGADRP Cc1cc(C)cc(OCCC[N@@H+]2CCN(C3CC[NH+](C)CC3)[C@@H](C)C2)c1 ZINC000368342315 499287213 /nfs/dbraw/zinc/28/72/13/499287213.db2.gz GILUZRDJAXFNFM-FQEVSTJZSA-N 2 0 359.558 3.173 20 0 FGADRP C[N@H+](C[C@H]1CC12CC[NH+](C[C@@H]1CN(c3ccccc3)C(=O)O1)CC2)C1CC1 ZINC000371329859 499311306 /nfs/dbraw/zinc/31/13/06/499311306.db2.gz OPRUVDUVMIRKOE-YLJYHZDGSA-N 2 0 369.509 3.208 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)Cc2nc3c(s2)C[NH+](C(C)C)CC3)[C@@H](C)C1 ZINC000368610772 499313335 /nfs/dbraw/zinc/31/33/35/499313335.db2.gz DKHQPSYNCOCASB-RDJZCZTQSA-N 2 0 350.576 3.072 20 0 FGADRP Cc1ccc2cc(C[N@@H+]3CC[C@H](N4CC[NH+](C)CC4)[C@@H](C)C3)ccc2n1 ZINC000368930385 499347770 /nfs/dbraw/zinc/34/77/70/499347770.db2.gz KYGNWDDUXVTNDQ-JTSKRJEESA-N 2 0 352.526 3.001 20 0 FGADRP C[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(N3CCCC3)nc2)[C@@H]1c1ccccc1 ZINC000371927510 499380590 /nfs/dbraw/zinc/38/05/90/499380590.db2.gz PYISKMXZWJQZAQ-UNMCSNQZSA-N 2 0 350.510 3.464 20 0 FGADRP C[C@@H]1CCC[N@@H+]1C1CCN(C(=O)NCCCC[NH+]2CCCC[C@@H]2C)CC1 ZINC000372085447 499397579 /nfs/dbraw/zinc/39/75/79/499397579.db2.gz IZRBHHUVADQCQD-RBUKOAKNSA-N 2 0 364.578 3.299 20 0 FGADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1N(C)Cc1ccc(C(=O)N(C)C)[nH]1 ZINC000372399059 499429344 /nfs/dbraw/zinc/42/93/44/499429344.db2.gz ARIWSQORYLVFOG-LAUBAEHRSA-N 2 0 368.525 3.059 20 0 FGADRP Cc1c(-c2cc(C[NH+]3CCC4(C[C@@H]4C[N@H+](C)C4CC4)CC3)on2)cnn1C ZINC000373352573 499465002 /nfs/dbraw/zinc/46/50/02/499465002.db2.gz FRIRRTSNRVZFTL-MRXNPFEDSA-N 2 0 369.513 3.080 20 0 FGADRP CCc1cc(N2CC[C@H](N(C)Cc3noc(C)n3)C2)c2ccccc2[nH+]1 ZINC000378225156 499491906 /nfs/dbraw/zinc/49/19/06/499491906.db2.gz BRPQFKOOAVHSQC-INIZCTEOSA-N 2 0 351.454 3.199 20 0 FGADRP O=C(CC[C@@H]1CC[NH2+]C1)N1CCC[C@@H]1[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000378294866 499498794 /nfs/dbraw/zinc/49/87/94/499498794.db2.gz RAOIUXWDNGHQCP-HLAWJBBLSA-N 2 0 355.526 3.032 20 0 FGADRP CC[N@H+](CCC1CCN(C(=O)N[C@@H]2CC[NH+](C)[C@H](C)C2)CC1)CC(C)C ZINC000573231148 506148814 /nfs/dbraw/zinc/14/88/14/506148814.db2.gz UOOWDJOSPRSPMO-UYAOXDASSA-N 2 0 366.594 3.259 20 0 FGADRP COCCN1CC[C@H]([NH2+]CCc2ccc(OCc3ccccc3)cc2)C1 ZINC000381245421 499544554 /nfs/dbraw/zinc/54/45/54/499544554.db2.gz CDWYSLYTKAEPNU-NRFANRHFSA-N 2 0 354.494 3.118 20 0 FGADRP C[C@@H]([NH2+]Cc1cnn(CC(F)(F)F)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000381942235 499545416 /nfs/dbraw/zinc/54/54/16/499545416.db2.gz ZFFSXIMUTSGDCO-CRAIPNDOSA-N 2 0 366.431 3.446 20 0 FGADRP C[C@H](NCC(=O)Nc1cccc(F)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000388839755 499551911 /nfs/dbraw/zinc/55/19/11/499551911.db2.gz XXZVYVGUMSWMGL-WMZOPIPTSA-N 2 0 355.457 3.264 20 0 FGADRP [NH3+][C@H](CC1CCCCC1)C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000397554096 499564437 /nfs/dbraw/zinc/56/44/37/499564437.db2.gz JUTFRNFGTIFMRN-OAQYLSRUSA-N 2 0 357.542 3.313 20 0 FGADRP CCCCc1nc(CN2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)cs1 ZINC000375902425 499566620 /nfs/dbraw/zinc/56/66/20/499566620.db2.gz FODHMURQSUMOIS-SFHVURJKSA-N 2 0 350.576 3.086 20 0 FGADRP CC(C)c1nc2c([nH]1)C[C@@H](C(=O)NC[C@H](c1ccccc1)[NH+](C)C)CC2 ZINC000376059884 499579893 /nfs/dbraw/zinc/57/98/93/499579893.db2.gz YTBYNCWPUFWLKX-QFBILLFUSA-N 2 0 354.498 3.057 20 0 FGADRP C[N@@H+](Cc1ccc(-n2ccnc2)nc1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000376166928 499588464 /nfs/dbraw/zinc/58/84/64/499588464.db2.gz OTNKFTPMAHVMJD-UHFFFAOYSA-N 2 0 362.481 3.011 20 0 FGADRP CCNC(=O)c1ccc(C[NH2+][C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000376318096 499599981 /nfs/dbraw/zinc/59/99/81/499599981.db2.gz FSEGSHPPCJDAPO-PGRDOPGGSA-N 2 0 365.521 3.437 20 0 FGADRP C[C@@H]1CN(C(=O)c2cccc(C3CCC3)c2)CCN1C1CC[NH+](C)CC1 ZINC000409891319 499627595 /nfs/dbraw/zinc/62/75/95/499627595.db2.gz LLLLGOWCQVZOSA-QGZVFWFLSA-N 2 0 355.526 3.195 20 0 FGADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+][C@H]2CCO[C@@]3(CCOC3)C2)CC1 ZINC000377132175 499664806 /nfs/dbraw/zinc/66/48/06/499664806.db2.gz WUYFQUWGTPOBIB-XLCOUGHXSA-N 2 0 358.526 3.357 20 0 FGADRP C[NH+](C)Cc1ccccc1C(=O)NC1CC[NH+](Cc2ccccc2F)CC1 ZINC000377328670 499680173 /nfs/dbraw/zinc/68/01/73/499680173.db2.gz CQCKRXKXYFZKNS-UHFFFAOYSA-N 2 0 369.484 3.282 20 0 FGADRP C[NH+]1CCN(C[C@H]2CCC[N@H+](CCCCCOc3ccccc3)C2)CC1 ZINC000377618985 499711004 /nfs/dbraw/zinc/71/10/04/499711004.db2.gz CQMJGXWKGUGHDQ-NRFANRHFSA-N 2 0 359.558 3.195 20 0 FGADRP CN(Cc1c(F)cccc1N1CCCC1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000377634790 499713416 /nfs/dbraw/zinc/71/34/16/499713416.db2.gz YPPUVDMYAHHYEW-IBGZPJMESA-N 2 0 374.548 3.026 20 0 FGADRP CC[NH+]1CCC(NC(=O)C[NH2+]C(C)(C)c2ccc(Cl)c(Cl)c2)CC1 ZINC000411357577 499729018 /nfs/dbraw/zinc/72/90/18/499729018.db2.gz SCWDASFGRONQNR-UHFFFAOYSA-N 2 0 372.340 3.419 20 0 FGADRP C[N@@H+]1CC[C@@H](CNCc2nccn2CC(F)(F)F)[C@H]1c1ccccc1 ZINC000377763728 499730064 /nfs/dbraw/zinc/73/00/64/499730064.db2.gz RYKYTVZFMRBOBK-DOTOQJQBSA-N 2 0 352.404 3.228 20 0 FGADRP CCN1C[C@@H](C)[NH+](CC[C@H](C)CC[N@@H+]2C[C@H](C)N(CC)C[C@@H]2C)C[C@@H]1C ZINC000411416651 499737461 /nfs/dbraw/zinc/73/74/61/499737461.db2.gz CZYUWGLSEBCWCI-KGWSWXIGSA-N 2 0 366.638 3.232 20 0 FGADRP CC(C)[C@H]1[NH2+]CC[C@@H]1C(=O)Nc1ccc(N2CCC(C[NH+](C)C)CC2)cc1 ZINC000377817205 499738329 /nfs/dbraw/zinc/73/83/29/499738329.db2.gz QGPFYNLKSRGXBY-LEWJYISDSA-N 2 0 372.557 3.037 20 0 FGADRP O=C(NC1CC[NH+](CC2CC2)CC1)c1cccc(C[NH+]2CCCCC2)c1 ZINC000411497430 499747706 /nfs/dbraw/zinc/74/77/06/499747706.db2.gz ABCFWQQPLJEWJM-UHFFFAOYSA-N 2 0 355.526 3.277 20 0 FGADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]CCc1nc2ccccc2c(=O)[nH]1 ZINC000411547391 499753558 /nfs/dbraw/zinc/75/35/58/499753558.db2.gz CEOQZMQZXHYLTP-WMZOPIPTSA-N 2 0 356.514 3.368 20 0 FGADRP C[N@H+](Cc1ccccc1)[C@@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC000377995782 499754163 /nfs/dbraw/zinc/75/41/63/499754163.db2.gz MGBIHEHTRMEVTM-HXUWFJFHSA-N 2 0 355.526 3.128 20 0 FGADRP C[C@H]([NH2+]CCCN1CCC[N@H+](C)CC1)c1csc(-c2ccccc2)n1 ZINC000414130061 499763084 /nfs/dbraw/zinc/76/30/84/499763084.db2.gz VVIFBAIKBYDHOW-KRWDZBQOSA-N 2 0 358.555 3.488 20 0 FGADRP Cc1ccc([C@H]2CCC[C@H]2[NH2+]CC2(N3CCOCC3)CC[NH+](C)CC2)cc1 ZINC000414181640 499766444 /nfs/dbraw/zinc/76/64/44/499766444.db2.gz CFGGJEIWVOIKQH-FGZHOGPDSA-N 2 0 371.569 3.017 20 0 FGADRP C[NH+]1CCC(C[NH2+][C@H]2CCC(C)(C)c3ccccc32)(N2CCOCC2)CC1 ZINC000414197731 499767770 /nfs/dbraw/zinc/76/77/70/499767770.db2.gz PWIDIDVAPSTBRN-NRFANRHFSA-N 2 0 371.569 3.185 20 0 FGADRP C[NH+]1CCC(C[NH2+][C@H](c2ccccc2)C2CCCC2)(N2CCOCC2)CC1 ZINC000414207664 499768426 /nfs/dbraw/zinc/76/84/26/499768426.db2.gz ZSIAVSDZJGKFQZ-JOCHJYFZSA-N 2 0 371.569 3.304 20 0 FGADRP OC1(C[NH2+][C@@H]2CCC[C@@H]([C@@H]3CCOC3)C2)CC[NH+](Cc2ccccc2)CC1 ZINC000414302201 499775804 /nfs/dbraw/zinc/77/58/04/499775804.db2.gz KGTOFJGIRMILPQ-YPAWHYETSA-N 2 0 372.553 3.198 20 0 FGADRP C[C@H]([NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1)c1ccc2c(c1)COC2 ZINC000414307999 499776025 /nfs/dbraw/zinc/77/60/25/499776025.db2.gz PUVZPXNVQARNSU-SFHVURJKSA-N 2 0 366.505 3.395 20 0 FGADRP C[C@H]1CC([NH2+]Cc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)C[C@H](C)C1 ZINC000414323330 499777555 /nfs/dbraw/zinc/77/75/55/499777555.db2.gz IJZXTIIGPQSTNN-IAGOWNOFSA-N 2 0 357.542 3.298 20 0 FGADRP CC[C@H]1CCC[C@@H]([NH2+]Cc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)C1 ZINC000414326380 499777952 /nfs/dbraw/zinc/77/79/52/499777952.db2.gz NPNRZHTXXREJJT-LAUBAEHRSA-N 2 0 357.542 3.442 20 0 FGADRP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1)C1CCCCC1 ZINC000414326933 499778307 /nfs/dbraw/zinc/77/83/07/499778307.db2.gz ODFUMSIRSOLDRX-QGZVFWFLSA-N 2 0 357.542 3.442 20 0 FGADRP COC(=O)c1cc(CN2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)cs1 ZINC000411749212 499786128 /nfs/dbraw/zinc/78/61/28/499786128.db2.gz VBYHNOABTOSMQN-RTBURBONSA-N 2 0 370.518 3.489 20 0 FGADRP C[N@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)[C@H]1CCCC[C@@H]1c1ccccc1 ZINC000412014825 499813260 /nfs/dbraw/zinc/81/32/60/499813260.db2.gz RBMSLBPWJTTYDF-YADHBBJMSA-N 2 0 369.553 3.388 20 0 FGADRP CC(C)[N@@H+](Cc1ccc(Cl)c(Cl)c1)C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414694691 499821172 /nfs/dbraw/zinc/82/11/72/499821172.db2.gz DPHXWPYQUMKBAV-OAHLLOKOSA-N 2 0 372.340 3.401 20 0 FGADRP CCC[C@@H](Cc1ccccc1)[N@H+](CCC)C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414695502 499821280 /nfs/dbraw/zinc/82/12/80/499821280.db2.gz OXSFXUFVCQRLLH-RTWAWAEBSA-N 2 0 359.558 3.307 20 0 FGADRP C[C@H]1C[C@@H](C[NH+]2CCN(C(=O)c3cccc(Cl)c3Cl)CC2)CC[NH2+]1 ZINC000414738471 499825049 /nfs/dbraw/zinc/82/50/49/499825049.db2.gz OZQZYJQLBVHSMA-KBPBESRZSA-N 2 0 370.324 3.139 20 0 FGADRP O=C(c1cccc(C[NH+]2CCCCC2)c1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000412117715 499825197 /nfs/dbraw/zinc/82/51/97/499825197.db2.gz DRRDJEGYKTZCBU-FQEVSTJZSA-N 2 0 355.526 3.230 20 0 FGADRP CCOC(=O)[C@H](Cc1cccc2ccccc21)NC[C@H]1CC[NH2+][C@H](C)C1 ZINC000414740640 499825442 /nfs/dbraw/zinc/82/54/42/499825442.db2.gz DHHIPABJIHCTBH-WWMYMODYSA-N 2 0 354.494 3.292 20 0 FGADRP C[C@@H]1C[C@@H](C[NH+]2CCC(C(=O)c3c(F)cc(F)cc3F)CC2)CC[NH2+]1 ZINC000414745303 499826003 /nfs/dbraw/zinc/82/60/03/499826003.db2.gz QTONYVDNFISAES-OLZOCXBDSA-N 2 0 354.416 3.387 20 0 FGADRP CC[N@@H+](Cc1ccc(Cl)c(Cl)c1)C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414751627 499826567 /nfs/dbraw/zinc/82/65/67/499826567.db2.gz SUYABTAOVRUITI-AWEZNQCLSA-N 2 0 358.313 3.013 20 0 FGADRP COCC[N@@H+](Cc1sccc1Br)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414756900 499827017 /nfs/dbraw/zinc/82/70/17/499827017.db2.gz ROMBADMDLPHNOI-OLZOCXBDSA-N 2 0 361.349 3.347 20 0 FGADRP C[C@H](C[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2)c1ccc(C(F)(F)F)cc1 ZINC000414771716 499829002 /nfs/dbraw/zinc/82/90/02/499829002.db2.gz AHJROZYAJRHHOK-PBHICJAKSA-N 2 0 356.432 3.496 20 0 FGADRP FC(F)(F)c1cc(C[NH2+]CCCN2CC[NH2+]CC2)cc(C(F)(F)F)c1 ZINC000414783830 499830709 /nfs/dbraw/zinc/83/07/09/499830709.db2.gz RGRCSXJYHILKTC-UHFFFAOYSA-N 2 0 369.353 3.109 20 0 FGADRP COc1ccc(-c2ccccc2C)cc1C[NH2+]CCCN1CC[NH2+]CC1 ZINC000414793259 499831979 /nfs/dbraw/zinc/83/19/79/499831979.db2.gz KAEXXYHKEHZLNS-UHFFFAOYSA-N 2 0 353.510 3.056 20 0 FGADRP CCOc1c(Br)cc(C[NH2+][C@H]2CCCC[C@H]2C[NH3+])cc1OC ZINC000414800895 499832550 /nfs/dbraw/zinc/83/25/50/499832550.db2.gz LOCRFURECFUGNP-ZFWWWQNUSA-N 2 0 371.319 3.464 20 0 FGADRP CCOc1c(Br)cc(C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])cc1OC ZINC000414800893 499832641 /nfs/dbraw/zinc/83/26/41/499832641.db2.gz LOCRFURECFUGNP-UKRRQHHQSA-N 2 0 371.319 3.464 20 0 FGADRP CN(c1ccccc1C[NH2+]C[C@@H](N)c1ccccc1)C1CC[NH+](C)CC1 ZINC000414832250 499835443 /nfs/dbraw/zinc/83/54/43/499835443.db2.gz OGBMDXLLKSYTTK-OAQYLSRUSA-N 2 0 352.526 3.007 20 0 FGADRP C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000414851911 499838084 /nfs/dbraw/zinc/83/80/84/499838084.db2.gz JNMRBQKSXCWJRN-RDBSUJKOSA-N 2 0 368.319 3.144 20 0 FGADRP C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+]C[C@]1(C)CCC[NH2+]C1 ZINC000414906078 499843682 /nfs/dbraw/zinc/84/36/82/499843682.db2.gz LZEWMCSCZDDHTR-CXAGYDPISA-N 2 0 368.319 3.146 20 0 FGADRP C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1cccc(C[NH+]2CCCCC2)c1 ZINC000412329495 499845179 /nfs/dbraw/zinc/84/51/79/499845179.db2.gz BLVRTAPCXUGRIG-GHTZIAJQSA-N 2 0 355.526 3.371 20 0 FGADRP Fc1ccc(CC[NH+]2CCC(NC[C@H]3[NH2+]CCc4ccccc43)CC2)cc1 ZINC000414950695 499847809 /nfs/dbraw/zinc/84/78/09/499847809.db2.gz FUGBFLOZFJJYTI-HSZRJFAPSA-N 2 0 367.512 3.309 20 0 FGADRP COCC1(C[NH2+]Cc2cc(Cl)cc(C(F)(F)F)c2)CC[NH2+]CC1 ZINC000414974990 499850431 /nfs/dbraw/zinc/85/04/31/499850431.db2.gz NEVDAICVURZAQW-UHFFFAOYSA-N 2 0 350.812 3.465 20 0 FGADRP COCC1(C[NH2+][C@@H](C)CC(=O)Nc2ccccc2C(C)C)CC[NH2+]CC1 ZINC000414975448 499850764 /nfs/dbraw/zinc/85/07/64/499850764.db2.gz OGDMSWLEVCSGQX-KRWDZBQOSA-N 2 0 361.530 3.133 20 0 FGADRP C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000414976795 499850774 /nfs/dbraw/zinc/85/07/74/499850774.db2.gz QITBHZWBEWZTCU-KGLIPLIRSA-N 2 0 373.419 3.424 20 0 FGADRP COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000414982000 499851224 /nfs/dbraw/zinc/85/12/24/499851224.db2.gz YBPNERNXNNEDHE-ZFWWWQNUSA-N 2 0 353.894 3.188 20 0 FGADRP CC[NH+](CC)[C@@H](C(=O)NC[C@H](C)[NH+](C)C)c1cccc(C(F)(F)F)c1 ZINC000412392440 499851290 /nfs/dbraw/zinc/85/12/90/499851290.db2.gz CKHNOKOJAOSXLN-XJKSGUPXSA-N 2 0 359.436 3.155 20 0 FGADRP Clc1ccc(-n2cc(C[NH2+]CCC[C@H]3CCC[NH2+]3)nn2)c(Cl)c1 ZINC000414983475 499851567 /nfs/dbraw/zinc/85/15/67/499851567.db2.gz ZRUPMSGHGRWXKD-ZDUSSCGKSA-N 2 0 354.285 3.196 20 0 FGADRP COc1cc(Br)c(C[NH2+]C[C@@H]2CCC[C@H]([NH3+])C2)c(OC)c1 ZINC000414986896 499851887 /nfs/dbraw/zinc/85/18/87/499851887.db2.gz CVGYYJHAGRLMCJ-NEPJUHHUSA-N 2 0 357.292 3.073 20 0 FGADRP Cc1nn(-c2ccc(Br)cc2)c(C)c1C[NH2+][C@H](C)CCC[NH3+] ZINC000415016214 499855410 /nfs/dbraw/zinc/85/54/10/499855410.db2.gz BXBIKUAMZUPUHG-GFCCVEGCSA-N 2 0 365.319 3.469 20 0 FGADRP C[C@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[NH2+][C@H](C)[C@H](C)[NH3+] ZINC000415020140 499855576 /nfs/dbraw/zinc/85/55/76/499855576.db2.gz SLOPWIHFTPRIET-KXUCPTDWSA-N 2 0 351.800 3.401 20 0 FGADRP COc1cc(Br)c(C[NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)cc1O ZINC000415020018 499855682 /nfs/dbraw/zinc/85/56/82/499855682.db2.gz FVTKXKDCITZBQI-HAQNSBGRSA-N 2 0 357.292 3.018 20 0 FGADRP O=c1ccccn1Cc1ccc(C[NH2+][C@@H]2CCN[C@@H](c3ccccc3)C2)cc1 ZINC000415080502 499861503 /nfs/dbraw/zinc/86/15/03/499861503.db2.gz LTZCDGRNFXGRPM-DHIUTWEWSA-N 2 0 373.500 3.480 20 0 FGADRP O=c1ccccn1Cc1ccc(C[NH2+][C@H]2CCN[C@@H](c3ccccc3)C2)cc1 ZINC000415080509 499861561 /nfs/dbraw/zinc/86/15/61/499861561.db2.gz LTZCDGRNFXGRPM-XZOQPEGZSA-N 2 0 373.500 3.480 20 0 FGADRP COc1ccc(C[C@H](C)C[NH+]2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)cc1F ZINC000415102326 499863667 /nfs/dbraw/zinc/86/36/67/499863667.db2.gz DNLFWAJZSOHZJC-DLVCFXQMSA-N 2 0 364.505 3.231 20 0 FGADRP [NH3+][C@H]1CCCO[C@@H]1C1CC[NH+](Cc2cccc(OCC(F)(F)F)c2)CC1 ZINC000415130365 499867701 /nfs/dbraw/zinc/86/77/01/499867701.db2.gz QREOPLRJTFWMTA-ZWKOTPCHSA-N 2 0 372.431 3.346 20 0 FGADRP CCOc1ccc(C[NH2+]CC2(N)CC[NH+](Cc3ccccc3)CC2)cc1F ZINC000415132274 499868545 /nfs/dbraw/zinc/86/85/45/499868545.db2.gz KQUWGUJDOJVIOZ-UHFFFAOYSA-N 2 0 371.500 3.308 20 0 FGADRP Cc1ccc(NC(=O)NCc2ccc([C@H](C)[NH3+])cc2)c(OCC[NH+](C)C)c1 ZINC000415204504 499876494 /nfs/dbraw/zinc/87/64/94/499876494.db2.gz OHQIPRSPOXMJRZ-INIZCTEOSA-N 2 0 370.497 3.277 20 0 FGADRP O=C(NCC[C@@H]1CCC[NH2+]C1)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000415304718 499885135 /nfs/dbraw/zinc/88/51/35/499885135.db2.gz GDFRKDHEEFKTIQ-SFHVURJKSA-N 2 0 374.529 3.063 20 0 FGADRP CC1CC[NH+](CCc2cccc(NC(=O)N3CC[C@]4(CC[NH2+]C4)C3)c2)CC1 ZINC000415399929 499891528 /nfs/dbraw/zinc/89/15/28/499891528.db2.gz YYPUMUCKWLFNOO-QFIPXVFZSA-N 2 0 370.541 3.178 20 0 FGADRP C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)N[C@@H](C[NH3+])c1ccc2ccccc2c1 ZINC000582231459 506165100 /nfs/dbraw/zinc/16/51/00/506165100.db2.gz XTWMPOGEZLAGCH-CZAAIQMYSA-N 2 0 366.509 3.108 20 0 FGADRP C[C@H](NC(=O)Nc1ccc2c(c1)C[NH2+]CC2)[C@@H](c1ccccc1)[NH+](C)C ZINC000415897252 499925576 /nfs/dbraw/zinc/92/55/76/499925576.db2.gz PFQLKRBIAHWAEK-YWZLYKJASA-N 2 0 352.482 3.145 20 0 FGADRP C[NH2+]Cc1ccccc1NC(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000415900769 499925796 /nfs/dbraw/zinc/92/57/96/499925796.db2.gz MBOAXEVKLZPZJA-UHFFFAOYSA-N 2 0 352.482 3.192 20 0 FGADRP C[NH2+]Cc1ccccc1NC(=O)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000415907693 499926989 /nfs/dbraw/zinc/92/69/89/499926989.db2.gz BUTUIQYRLVLQMY-GOSISDBHSA-N 2 0 358.530 3.382 20 0 FGADRP C[NH2+]Cc1ccccc1NC(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000415922961 499928685 /nfs/dbraw/zinc/92/86/85/499928685.db2.gz OFOXMOWVAZZIRS-GOSISDBHSA-N 2 0 352.482 3.050 20 0 FGADRP CCc1ccc([C@H](CNC(=O)Nc2cccc(C[NH2+]C)c2)[NH+](C)C)cc1 ZINC000415925937 499928995 /nfs/dbraw/zinc/92/89/95/499928995.db2.gz BTUVCQHFPGFIFG-FQEVSTJZSA-N 2 0 354.498 3.393 20 0 FGADRP CC[NH2+]Cc1ccccc1NC(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C ZINC000415940157 499930884 /nfs/dbraw/zinc/93/08/84/499930884.db2.gz DPCMZQMZJQKYTF-LJQANCHMSA-N 2 0 358.461 3.360 20 0 FGADRP CC[NH2+]Cc1ccccc1NC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000415950696 499932249 /nfs/dbraw/zinc/93/22/49/499932249.db2.gz HQUCGBXDEQYGSE-FXAWDEMLSA-N 2 0 356.514 3.277 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000415949921 499932356 /nfs/dbraw/zinc/93/23/56/499932356.db2.gz CLKHNFIEYQALHP-OAHLLOKOSA-N 2 0 362.493 3.248 20 0 FGADRP [NH3+]CCOc1ccc(NC(=O)NCC2([NH+]3CCCCC3)CCCCC2)cc1 ZINC000415960191 499933571 /nfs/dbraw/zinc/93/35/71/499933571.db2.gz NTKKJYLHSUOQJG-UHFFFAOYSA-N 2 0 374.529 3.334 20 0 FGADRP COc1ccccc1[C@@H](CNC(=O)Nc1ccc(C[NH3+])cc1)[NH+]1CCCC1 ZINC000415964904 499934445 /nfs/dbraw/zinc/93/44/45/499934445.db2.gz WWTHKNWDPFBKOX-LJQANCHMSA-N 2 0 368.481 3.113 20 0 FGADRP CC[C@H](C)[NH+]1CCN(C(=O)Nc2cc(C[NH3+])cc(C(F)(F)F)c2)CC1 ZINC000415968346 499934886 /nfs/dbraw/zinc/93/48/86/499934886.db2.gz ISJBNCMXSVRWKM-LBPRGKRZSA-N 2 0 358.408 3.112 20 0 FGADRP CN(C(=O)Nc1ccc(C[NH3+])cc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000415972195 499935514 /nfs/dbraw/zinc/93/55/14/499935514.db2.gz HLWROAGRZUDMSO-UHFFFAOYSA-N 2 0 352.482 3.274 20 0 FGADRP CC[C@H](C)[NH2+][C@@H](CNC(=O)Nc1ccc2c(c1)C[NH2+]CCO2)c1ccco1 ZINC000415979742 499936895 /nfs/dbraw/zinc/93/68/95/499936895.db2.gz XUIOOOVPVQVPAV-YOEHRIQHSA-N 2 0 372.469 3.013 20 0 FGADRP C[NH2+]Cc1ccc(NC(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)cc1 ZINC000415991052 499938398 /nfs/dbraw/zinc/93/83/98/499938398.db2.gz OLNZFJDNTPXABY-HXUWFJFHSA-N 2 0 352.482 3.365 20 0 FGADRP C[NH+](C)[C@H](CC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1)c1ccccc1 ZINC000416177576 499969863 /nfs/dbraw/zinc/96/98/63/499969863.db2.gz GEHNQAVOBFLFDH-VWPQPMDRSA-N 2 0 351.494 3.241 20 0 FGADRP C[C@@H](CNC(=O)N[C@@H](C[NH3+])c1ccc2ccccc2c1)C[NH+]1CCCCC1 ZINC000417202173 500003543 /nfs/dbraw/zinc/00/35/43/500003543.db2.gz ZGFLVNHSQOTQAI-UWJYYQICSA-N 2 0 368.525 3.261 20 0 FGADRP C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000413624268 500006125 /nfs/dbraw/zinc/00/61/25/500006125.db2.gz JHTGGKIOHBIURA-SFTDATJTSA-N 2 0 355.526 3.229 20 0 FGADRP C[N@H+](Cc1ccccc1CNC(=O)N[C@@H]1CC[C@H](C[NH3+])C1)C1CCCCC1 ZINC000417229876 500011964 /nfs/dbraw/zinc/01/19/64/500011964.db2.gz YCUKOZGROBSOKC-FXAWDEMLSA-N 2 0 372.557 3.378 20 0 FGADRP CC[NH+]1CCC(N2CCC[N@H+](Cc3cnc(-c4ccco4)s3)CC2)CC1 ZINC000421366089 500028948 /nfs/dbraw/zinc/02/89/48/500028948.db2.gz CMKJNVUOIJNNDO-UHFFFAOYSA-N 2 0 374.554 3.395 20 0 FGADRP CCC[C@H]([NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1)[C@@H]1CC1(C)C ZINC000417304912 500035347 /nfs/dbraw/zinc/03/53/47/500035347.db2.gz FXBNACHWEWFFIA-OALUTQOASA-N 2 0 359.562 3.183 20 0 FGADRP C[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]CC(C)(C)C2(O)CCOCC2)CC1 ZINC000417386252 500056062 /nfs/dbraw/zinc/05/60/62/500056062.db2.gz SRHHGYAHPOMVGV-HKUYNNGSSA-N 2 0 352.563 3.187 20 0 FGADRP CCN(C[C@@H]1CC[N@H+](Cc2ccc3c(c2)C[NH2+]CC3)C1)CC(F)(F)F ZINC000573331081 506174088 /nfs/dbraw/zinc/17/40/88/506174088.db2.gz LADVCWOQOVLTBW-INIZCTEOSA-N 2 0 355.448 3.038 20 0 FGADRP CC[NH+](CC)[C@H](C(=O)N1CC[C@H](C[NH2+]C)C1)c1cccc(C(F)(F)F)c1 ZINC000429459374 500081721 /nfs/dbraw/zinc/08/17/21/500081721.db2.gz YAUJPBDBDIMTTJ-PBHICJAKSA-N 2 0 371.447 3.156 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N[C@@H]1CC[NH2+]C[C@H]1C)c1ccccc1Cl ZINC000416842300 500135082 /nfs/dbraw/zinc/13/50/82/500135082.db2.gz NBLRGLMEURWCGV-ZTFGCOKTSA-N 2 0 366.937 3.020 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N[C@@H]1CC[NH2+]C[C@@H]1C)c1ccccc1Cl ZINC000416842297 500135200 /nfs/dbraw/zinc/13/52/00/500135200.db2.gz NBLRGLMEURWCGV-BMGDILEWSA-N 2 0 366.937 3.020 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N1CCC(CC[NH2+]C)CC1)c1ccccc1 ZINC000416848138 500137661 /nfs/dbraw/zinc/13/76/61/500137661.db2.gz WMPPDGGKCZTTBR-HXUWFJFHSA-N 2 0 360.546 3.101 20 0 FGADRP COc1ccc([C@H](C)[NH2+]Cc2cccnc2N2CC[NH+](C)CC2)c(C)c1 ZINC000414068381 500144042 /nfs/dbraw/zinc/14/40/42/500144042.db2.gz JRBWFNUTXFEZBF-KRWDZBQOSA-N 2 0 354.498 3.001 20 0 FGADRP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)NCCC[C@H]2CCC[NH2+]2)CC1 ZINC000417677527 500146874 /nfs/dbraw/zinc/14/68/74/500146874.db2.gz FWNLKHMSVIDESD-IEBWSBKVSA-N 2 0 358.530 3.043 20 0 FGADRP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)NCCC[C@@H]2CCC[NH2+]2)CC1 ZINC000417677528 500147147 /nfs/dbraw/zinc/14/71/47/500147147.db2.gz FWNLKHMSVIDESD-MJGOQNOKSA-N 2 0 358.530 3.043 20 0 FGADRP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000416887509 500147849 /nfs/dbraw/zinc/14/78/49/500147849.db2.gz IFKJPVFUFBIRER-FXAWDEMLSA-N 2 0 358.530 3.084 20 0 FGADRP [NH3+][C@H](CNC(=O)NCc1ccccc1C[NH+]1CCCCC1)c1ccccc1 ZINC000416899941 500150826 /nfs/dbraw/zinc/15/08/26/500150826.db2.gz HKIPIJLKUMGZDN-OAQYLSRUSA-N 2 0 366.509 3.172 20 0 FGADRP CCC(CC)(CNC(=O)N1CCC[C@H]([NH2+]C)C1)[NH2+][C@@H](C)c1ccccc1 ZINC000417697363 500150818 /nfs/dbraw/zinc/15/08/18/500150818.db2.gz DQEHBSXLBSENKU-HKUYNNGSSA-N 2 0 360.546 3.289 20 0 FGADRP CCC(CC)(CNC(=O)N(C)C1CC[NH2+]CC1)[NH2+][C@H](C)c1ccccc1 ZINC000417703596 500152992 /nfs/dbraw/zinc/15/29/92/500152992.db2.gz LMNRXYFVVVFREE-QGZVFWFLSA-N 2 0 360.546 3.289 20 0 FGADRP Clc1cccc(-c2noc(CC[N@@H+]3CCCC[C@@H]3[C@@H]3CC[NH2+]C3)n2)c1 ZINC000579455043 506179211 /nfs/dbraw/zinc/17/92/11/506179211.db2.gz NWGJCATYCXLBHL-NVXWUHKLSA-N 2 0 360.889 3.397 20 0 FGADRP COc1ccc([C@@H]([NH2+]C2CCN(CC[NH+](C)C)CC2)C(C)C)c(F)c1 ZINC000421818397 500158053 /nfs/dbraw/zinc/15/80/53/500158053.db2.gz AQMLJIUTRYRNKE-FQEVSTJZSA-N 2 0 351.510 3.147 20 0 FGADRP COC1([C@H](C)[NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)CCCCC1 ZINC000421835543 500161801 /nfs/dbraw/zinc/16/18/01/500161801.db2.gz PVMDRZIZCCSMBG-SFHVURJKSA-N 2 0 360.542 3.471 20 0 FGADRP CCc1ccc([C@H](CN2CCOCC2)[NH2+]C2CCC([NH+](C)C)CC2)cc1 ZINC000421878566 500167934 /nfs/dbraw/zinc/16/79/34/500167934.db2.gz NNECZHWLNSWNIF-HRTMPFAESA-N 2 0 359.558 3.085 20 0 FGADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000416969670 500170376 /nfs/dbraw/zinc/17/03/76/500170376.db2.gz KXAHHIAZXASVOL-FQEVSTJZSA-N 2 0 354.498 3.026 20 0 FGADRP CCCN(C(=O)NCc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1)[C@H]1CC[NH2+]C1 ZINC000416970977 500170839 /nfs/dbraw/zinc/17/08/39/500170839.db2.gz ONEACTANZWEXRE-RXVVDRJESA-N 2 0 372.557 3.202 20 0 FGADRP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000416970559 500170852 /nfs/dbraw/zinc/17/08/52/500170852.db2.gz FEVLXPRXRDAPNS-GHTZIAJQSA-N 2 0 372.557 3.330 20 0 FGADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000416970513 500170988 /nfs/dbraw/zinc/17/09/88/500170988.db2.gz NSKYCEKVMQEVAJ-HXUWFJFHSA-N 2 0 372.557 3.058 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N(C2CC2)[C@H]2CC[NH2+]C2)cc1 ZINC000416975933 500172871 /nfs/dbraw/zinc/17/28/71/500172871.db2.gz NMNOHZHDSVKNOG-UTKZUKDTSA-N 2 0 370.541 3.097 20 0 FGADRP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000416983528 500174963 /nfs/dbraw/zinc/17/49/63/500174963.db2.gz XARAZSFXORQLJI-UWJYYQICSA-N 2 0 370.541 3.097 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000416983527 500175283 /nfs/dbraw/zinc/17/52/83/500175283.db2.gz XARAZSFXORQLJI-UTKZUKDTSA-N 2 0 370.541 3.097 20 0 FGADRP C[C@@H]([NH3+])[C@H]1CCN(C(=O)NCc2ccc(C[N@H+]3C[C@H](C)C[C@H](C)C3)cc2)C1 ZINC000416991732 500177827 /nfs/dbraw/zinc/17/78/27/500177827.db2.gz OSUDQKOPERDKEE-IIMDRIAPSA-N 2 0 372.557 3.043 20 0 FGADRP C[NH2+]C[C@@H]1CCCN1C(=O)NCc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000416997950 500180001 /nfs/dbraw/zinc/18/00/01/500180001.db2.gz WLRQLUURIQTVFA-UEXGIBASSA-N 2 0 372.557 3.058 20 0 FGADRP C[C@H]1C[C@H](C[NH3+])CN1C(=O)NCc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000416997871 500180016 /nfs/dbraw/zinc/18/00/16/500180016.db2.gz WIIARWGKWOFUIJ-TWFHAPMSSA-N 2 0 372.557 3.043 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000417828970 500180132 /nfs/dbraw/zinc/18/01/32/500180132.db2.gz QVXNVHONTSTBEM-JRGCBEDISA-N 2 0 372.557 3.104 20 0 FGADRP C[NH2+]C[C@@H]1CCCN(C(=O)NC[C@@H](CC(C)C)[NH2+][C@H](C)c2ccccc2)C1 ZINC000417881284 500190734 /nfs/dbraw/zinc/19/07/34/500190734.db2.gz TUHYVSOBFAWJCC-SVFBPWRDSA-N 2 0 374.573 3.393 20 0 FGADRP COc1ccc([C@H]2C[C@H]([NH2+]Cc3cc(C4CC[NH2+]CC4)no3)C2)cc1F ZINC000425896954 500208805 /nfs/dbraw/zinc/20/88/05/500208805.db2.gz RNQIADHLINTRTN-WKILWMFISA-N 2 0 359.445 3.325 20 0 FGADRP C[C@H](NC(=O)N(CCC[NH3+])Cc1ccccc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000417984132 500209550 /nfs/dbraw/zinc/20/95/50/500209550.db2.gz CRFZSDCSORMGBB-ICSRJNTNSA-N 2 0 372.557 3.200 20 0 FGADRP CCCN(C(=O)N[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)C1CC[NH2+]CC1 ZINC000417987101 500209981 /nfs/dbraw/zinc/20/99/81/500209981.db2.gz GBECJEPSYBAWIR-AZUAARDMSA-N 2 0 372.557 3.071 20 0 FGADRP C[C@H](CCNC(=O)N[C@@H](C[NH3+])c1ccc2ccccc2c1)[NH+]1CCCCC1 ZINC000417997872 500211488 /nfs/dbraw/zinc/21/14/88/500211488.db2.gz GMWMLGFKXSBNMT-UTKZUKDTSA-N 2 0 368.525 3.403 20 0 FGADRP C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+]C[C@H](C)C[NH+](C)C ZINC000425933792 500213623 /nfs/dbraw/zinc/21/36/23/500213623.db2.gz WVRSOKUNPSHODN-QWHCGFSZSA-N 2 0 361.408 3.090 20 0 FGADRP Cc1ccccc1[C@H]([C@H](C)NC(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)[NH+](C)C ZINC000418186463 500244861 /nfs/dbraw/zinc/24/48/61/500244861.db2.gz RYRMMLXCMHUZMO-HUUJSLGLSA-N 2 0 372.557 3.017 20 0 FGADRP CCC[N@H+](C)[C@H](CNC(=O)N[C@@H]1CC[NH2+][C@H](C)C1)c1ccc(Cl)cc1 ZINC000418188966 500245909 /nfs/dbraw/zinc/24/59/09/500245909.db2.gz VBUWOQJKUCQJAX-ZTFGCOKTSA-N 2 0 366.937 3.163 20 0 FGADRP O=C(NCCC[C@@H]1CCC[NH2+]1)NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000418246035 500255505 /nfs/dbraw/zinc/25/55/05/500255505.db2.gz SVJYAZXJPZGMID-SFTDATJTSA-N 2 0 372.557 3.120 20 0 FGADRP C[C@H]1C[C@@H](N(C)C(=O)NCC2([NH3+])CCCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000418298927 500260062 /nfs/dbraw/zinc/26/00/62/500260062.db2.gz RBAFAVMKPVIZPG-ICSRJNTNSA-N 2 0 372.557 3.343 20 0 FGADRP CC(C)[NH+](CCNC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C)C(C)C ZINC000582319209 506185795 /nfs/dbraw/zinc/18/57/95/506185795.db2.gz JREHDZFXAJIVEK-QUCCMNQESA-N 2 0 360.546 3.067 20 0 FGADRP C[C@H](NC(=O)[C@H](C)[NH+]1CCC(C[NH3+])CC1)c1ccc(Cl)cc1Cl ZINC000430635305 500264516 /nfs/dbraw/zinc/26/45/16/500264516.db2.gz VACPBGMCFLFGSL-RYUDHWBXSA-N 2 0 358.313 3.230 20 0 FGADRP CCCC[N@H+](C)CC1CCN(C(=O)N[C@H](C[NH3+])C2CCCCC2)CC1 ZINC000418352285 500266894 /nfs/dbraw/zinc/26/68/94/500266894.db2.gz BVMMKIRUFRCQJS-LJQANCHMSA-N 2 0 352.567 3.048 20 0 FGADRP CC(C)C[C@H](C[NH3+])NC(=O)N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000418430061 500276132 /nfs/dbraw/zinc/27/61/32/500276132.db2.gz UFTPFEJZZTZGQQ-PKOBYXMFSA-N 2 0 352.567 3.046 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)NC(C)(C)CC[NH3+])C1 ZINC000422587444 500278217 /nfs/dbraw/zinc/27/82/17/500278217.db2.gz DVKFWCXEZGKXJE-CALCHBBNSA-N 2 0 360.546 3.091 20 0 FGADRP CCCC[C@@H](C[NH3+])NC(=O)N(CC)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000418458369 500279490 /nfs/dbraw/zinc/27/94/90/500279490.db2.gz FMVCBQMKWIKCBV-UXHICEINSA-N 2 0 360.546 3.058 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)NC(C)(C)CC[NH3+])c1ccccc1Cl ZINC000422594089 500279925 /nfs/dbraw/zinc/27/99/25/500279925.db2.gz REDUBYVEKKZYCP-INIZCTEOSA-N 2 0 354.926 3.150 20 0 FGADRP C[C@@H]([NH3+])c1ccc(CNC(=O)N(CC[NH+](C)C)Cc2ccsc2)cc1 ZINC000418466324 500280065 /nfs/dbraw/zinc/28/00/65/500280065.db2.gz RAJKCPWGPKODET-OAHLLOKOSA-N 2 0 360.527 3.041 20 0 FGADRP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)c2ccc3c(ccn3CCC[NH3+])c2)C1 ZINC000430755885 500280301 /nfs/dbraw/zinc/28/03/01/500280301.db2.gz QIGXSGOXPOOKGH-QZTJIDSGSA-N 2 0 370.541 3.088 20 0 FGADRP CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC(=O)NCc1ccc([C@@H](C)[NH3+])cc1 ZINC000418490066 500283108 /nfs/dbraw/zinc/28/31/08/500283108.db2.gz MQIPVLCNMOPECD-LSTHTHJFSA-N 2 0 360.546 3.406 20 0 FGADRP CCOc1ccc(Oc2cc(C[NH2+][C@@H]3CCOC[C@H]3[C@@H](C)[NH3+])ccn2)cc1 ZINC000422710696 500288443 /nfs/dbraw/zinc/28/84/43/500288443.db2.gz LYTLWFOPYSQEOW-UIAACRFSSA-N 2 0 371.481 3.115 20 0 FGADRP c1cc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)cc(COC2CCOCC2)c1 ZINC000422714344 500288682 /nfs/dbraw/zinc/28/86/82/500288682.db2.gz QWRUDNLOUWGDKL-BHIFYINESA-N 2 0 358.526 3.393 20 0 FGADRP C[C@@H]([NH3+])[C@H](Cc1ccccc1)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000422717396 500289133 /nfs/dbraw/zinc/28/91/33/500289133.db2.gz VPXLPTNGEQWKNT-QUCCMNQESA-N 2 0 361.599 3.286 20 0 FGADRP CN(CCC[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ccccc1F ZINC000422716653 500289315 /nfs/dbraw/zinc/28/93/15/500289315.db2.gz NPUSQOATNXISPD-DENIHFKCSA-N 2 0 369.484 3.498 20 0 FGADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000422724749 500290232 /nfs/dbraw/zinc/29/02/32/500290232.db2.gz WNTHACZFMLCWBA-HTAPYJJXSA-N 2 0 355.501 3.338 20 0 FGADRP C[C@@H](C[C@@H]1COCCN1)[NH2+]Cc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000422734520 500291728 /nfs/dbraw/zinc/29/17/28/500291728.db2.gz TYSFNTAMXZZPDZ-GHTZIAJQSA-N 2 0 359.558 3.308 20 0 FGADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C[C@@H](c1cccs1)N1CCOCC1 ZINC000422739640 500292308 /nfs/dbraw/zinc/29/23/08/500292308.db2.gz AKKFUMYFEONPEK-KURKYZTESA-N 2 0 351.560 3.022 20 0 FGADRP CCOC(=O)C1([C@@H](C)[NH2+][C@@H](C)c2ccc(F)cc2Cl)CC[NH2+]CC1 ZINC000422750868 500293759 /nfs/dbraw/zinc/29/37/59/500293759.db2.gz DSHGRRBJKLBWIY-QWHCGFSZSA-N 2 0 356.869 3.451 20 0 FGADRP COc1ccc([C@H](CN[C@@H](Cc2ccccc2)[C@H](C)[NH3+])[NH+]2CCCC2)cc1 ZINC000422754192 500294631 /nfs/dbraw/zinc/29/46/31/500294631.db2.gz JFUUWQHHLFMRCF-TZYHBYERSA-N 2 0 367.537 3.380 20 0 FGADRP COc1ccc(OC)c(CC[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000422766549 500295179 /nfs/dbraw/zinc/29/51/79/500295179.db2.gz RVJVMDXUWAQJHT-DENIHFKCSA-N 2 0 368.477 3.092 20 0 FGADRP COc1ccc(C[NH+]2CCC(C[NH2+][C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)CC2)cc1 ZINC000422788156 500297613 /nfs/dbraw/zinc/29/76/13/500297613.db2.gz VHPJGKOZGWNODK-RJGXRXQPSA-N 3 0 371.569 3.418 20 0 FGADRP C[C@H](CCCC[NH3+])[NH2+][C@H](c1ccccc1)c1cccc(S(C)(=O)=O)c1 ZINC000422791003 500297965 /nfs/dbraw/zinc/29/79/65/500297965.db2.gz CVJNLALDTGQCCB-OXQOHEQNSA-N 2 0 360.523 3.287 20 0 FGADRP CCCC[N@H+](C)CC1CCN(C(=O)NC[C@@H]([NH3+])c2ccccc2CC)CC1 ZINC000418642453 500300078 /nfs/dbraw/zinc/30/00/78/500300078.db2.gz AKVSUMSQLGXDAK-OAQYLSRUSA-N 2 0 374.573 3.402 20 0 FGADRP CN(C)[C@H](C[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1ccsc1 ZINC000422809220 500300342 /nfs/dbraw/zinc/30/03/42/500300342.db2.gz RKBFLRSUIUNQIZ-NSHGMRRFSA-N 2 0 357.523 3.196 20 0 FGADRP COc1cc(Cl)c(C)cc1NC(=O)CC[NH2+]C1CCC(C[NH3+])CC1 ZINC000422834029 500303110 /nfs/dbraw/zinc/30/31/10/500303110.db2.gz ZJFOTMBNUIUUOD-UHFFFAOYSA-N 2 0 353.894 3.093 20 0 FGADRP C[C@@H](CCCC[NH3+])NC(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000418669299 500304556 /nfs/dbraw/zinc/30/45/56/500304556.db2.gz HYUWILFBGYZNBB-SIKLNZKXSA-N 2 0 372.557 3.202 20 0 FGADRP CC[C@H](C[NH2+][C@@H]1CCOC[C@H]1[C@@H](C)[NH3+])Oc1cccc(C(F)(F)F)c1 ZINC000422841080 500305041 /nfs/dbraw/zinc/30/50/41/500305041.db2.gz VDNHBYDQZFHJCD-QIJZBDPFSA-N 2 0 360.420 3.205 20 0 FGADRP [NH3+]CCC[C@H](NC(=O)N1CCCC[C@H]1[C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC000418671014 500305149 /nfs/dbraw/zinc/30/51/49/500305149.db2.gz LAOLRHAORYMFBV-AABGKKOBSA-N 2 0 358.530 3.030 20 0 FGADRP C([NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)C1(N2CCSCC2)CCCC1 ZINC000422853914 500306041 /nfs/dbraw/zinc/30/60/41/500306041.db2.gz ZLJAAJVEMZXKAV-IPMKNSEASA-N 2 0 351.604 3.248 20 0 FGADRP C[NH2+]CC1CC[NH+]([C@@H](C)C(=O)N[C@H](C)c2ccc3c(c2)CCCC3)CC1 ZINC000430918547 500306363 /nfs/dbraw/zinc/30/63/63/500306363.db2.gz HTWNFEDQQWBXAO-SJORKVTESA-N 2 0 357.542 3.063 20 0 FGADRP CCOC(=O)C1([C@H](C)[NH2+]Cc2ccc(C)cc2OCC2CC2)CC[NH2+]CC1 ZINC000422867499 500307303 /nfs/dbraw/zinc/30/73/03/500307303.db2.gz SNRFDEAHOMOGHB-KRWDZBQOSA-N 2 0 374.525 3.195 20 0 FGADRP C[NH2+]CC1CC[NH+]([C@H](C)C(=O)N[C@H](C)c2cccc3ccccc32)CC1 ZINC000430925719 500307842 /nfs/dbraw/zinc/30/78/42/500307842.db2.gz MDCQKUMCARQUSF-IAGOWNOFSA-N 2 0 353.510 3.337 20 0 FGADRP C[NH2+]CC1CC[NH+]([C@@H](C)C(=O)N[C@@H](C)c2cccc3ccccc32)CC1 ZINC000430925720 500307936 /nfs/dbraw/zinc/30/79/36/500307936.db2.gz MDCQKUMCARQUSF-IRXDYDNUSA-N 2 0 353.510 3.337 20 0 FGADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]CC1(c2ccc(Br)cc2)CCOCC1 ZINC000422875703 500308854 /nfs/dbraw/zinc/30/88/54/500308854.db2.gz CWTIKAVQRXCPJR-ZIAGYGMSSA-N 2 0 355.320 3.213 20 0 FGADRP C[C@H](CCCC[NH3+])[NH2+]C[C@@H](c1c(F)cccc1Cl)N1CCO[C@H](C)C1 ZINC000422873656 500308976 /nfs/dbraw/zinc/30/89/76/500308976.db2.gz AXXCSFJLUSHDBI-RKVPGOIHSA-N 2 0 371.928 3.348 20 0 FGADRP CCOC(=O)C1([C@H](C)[NH2+]Cc2ccc(C)cc2SC)CC[NH2+]CC1 ZINC000422879098 500309475 /nfs/dbraw/zinc/30/94/75/500309475.db2.gz ULALGTPRIRSZPN-HNNXBMFYSA-N 2 0 350.528 3.128 20 0 FGADRP C[C@@H]([NH3+])C1CC[NH+](CC(=O)Nc2ccccc2Cc2ccccc2)CC1 ZINC000430935031 500309957 /nfs/dbraw/zinc/30/99/57/500309957.db2.gz RNWDDMYFODBRFA-QGZVFWFLSA-N 2 0 351.494 3.275 20 0 FGADRP CC1CC[NH+](CCCC[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000422887739 500310720 /nfs/dbraw/zinc/31/07/20/500310720.db2.gz ZFWBKSXVALYRJD-UNMCSNQZSA-N 3 0 357.542 3.344 20 0 FGADRP C[C@@H](CCCC[NH3+])NC(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000418712572 500311252 /nfs/dbraw/zinc/31/12/52/500311252.db2.gz WHWGDFKLKHQSQJ-SFHVURJKSA-N 2 0 368.525 3.185 20 0 FGADRP CC[NH+]1CCN(Cc2ccc(CN[C@@H]3C[C@@H]([NH3+])c4ccccc43)cc2)CC1 ZINC000422890195 500311607 /nfs/dbraw/zinc/31/16/07/500311607.db2.gz HWPRIONNFJTZJG-DHIUTWEWSA-N 2 0 364.537 3.059 20 0 FGADRP C[C@@H]([NH3+])C1CC[NH+](CC(=O)N[C@H](C)c2ccc(Cl)cc2Cl)CC1 ZINC000430948065 500311691 /nfs/dbraw/zinc/31/16/91/500311691.db2.gz GYBAZZMPQAUGMI-VXGBXAGGSA-N 2 0 358.313 3.230 20 0 FGADRP CC[NH+](CC)CCCC1CCN(C(=O)NC[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000418719525 500312486 /nfs/dbraw/zinc/31/24/86/500312486.db2.gz KRTZHAFFDYJCOC-MOPGFXCFSA-N 2 0 352.567 3.048 20 0 FGADRP Cc1ccccc1CN1CCC([NH2+][C@@H](C)c2ccc(C[NH3+])nc2C)CC1 ZINC000422897427 500313249 /nfs/dbraw/zinc/31/32/49/500313249.db2.gz JREZMMYBTGDTHI-KRWDZBQOSA-N 2 0 352.526 3.472 20 0 FGADRP C[NH+](C)CCOc1cccc(N[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000422913002 500315720 /nfs/dbraw/zinc/31/57/20/500315720.db2.gz OUARJIPISMJGQQ-IRLDBZIGSA-N 2 0 367.493 3.295 20 0 FGADRP C[C@H]([NH2+][C@H]1CCCC[C@@H]1C[NH3+])c1ccccc1I ZINC000423273895 500361326 /nfs/dbraw/zinc/36/13/26/500361326.db2.gz LBMGCJFZPRQJNO-ZOWXZIJZSA-N 2 0 358.267 3.459 20 0 FGADRP [NH3+][C@H]1CCCCC[C@H]1[NH2+]CCOc1ncc(C(F)(F)F)cc1Cl ZINC000422922856 500317813 /nfs/dbraw/zinc/31/78/13/500317813.db2.gz QYJNDMHLJPNNBR-QWHCGFSZSA-N 2 0 351.800 3.382 20 0 FGADRP Clc1ccc(OCCCC[NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000422937747 500319864 /nfs/dbraw/zinc/31/98/64/500319864.db2.gz OOIDXBYUHZZLFV-GBESFXJTSA-N 2 0 352.906 3.246 20 0 FGADRP C[C@H](CCCC[NH3+])[NH2+]C[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000422940066 500320732 /nfs/dbraw/zinc/32/07/32/500320732.db2.gz IMMSGFSIAVXYFE-HUUCEWRRSA-N 2 0 354.336 3.383 20 0 FGADRP c1ccc(-c2ccccc2OCC[NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000422941868 500321324 /nfs/dbraw/zinc/32/13/24/500321324.db2.gz VTYQIUWLORYNFJ-YPAWHYETSA-N 2 0 366.505 3.479 20 0 FGADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000422946112 500321974 /nfs/dbraw/zinc/32/19/74/500321974.db2.gz OMIJANDBEBVIMM-QKKBWIMNSA-N 2 0 353.466 3.422 20 0 FGADRP C[C@@H](CC(=O)Nc1ccc(OCC[N@@H+]2CC[C@@H](C)C2)cc1)[C@@H]1CCC[NH2+]C1 ZINC000431011173 500322866 /nfs/dbraw/zinc/32/28/66/500322866.db2.gz BILPCBYOCHPUOA-CEXWTWQISA-N 2 0 373.541 3.372 20 0 FGADRP C[C@H](CC(=O)Nc1ccc(OCC[N@@H+]2CC[C@@H](C)C2)cc1)C1CC[NH2+]CC1 ZINC000431014524 500323176 /nfs/dbraw/zinc/32/31/76/500323176.db2.gz KAZQZVHGNYBZCP-QZTJIDSGSA-N 2 0 373.541 3.372 20 0 FGADRP Cc1ccc(Br)cc1NC(=O)CC[NH2+][C@@H](C)CCCC[NH3+] ZINC000422953173 500323189 /nfs/dbraw/zinc/32/31/89/500323189.db2.gz DMFCKNRMNSANLD-ZDUSSCGKSA-N 2 0 356.308 3.193 20 0 FGADRP Brc1cccc(NCC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000422962580 500324565 /nfs/dbraw/zinc/32/45/65/500324565.db2.gz GFBLPGGRUZZMON-ZACQAIPSSA-N 2 0 352.320 3.371 20 0 FGADRP O=C(Nc1ccc(CC[NH+]2CCCCC2)cc1)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000431058101 500329377 /nfs/dbraw/zinc/32/93/77/500329377.db2.gz LNUHJHXFVAAXLS-QFIPXVFZSA-N 2 0 363.505 3.368 20 0 FGADRP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@H]2[NH2+]Cc1ccnc(OC2CCC2)c1 ZINC000423008453 500330164 /nfs/dbraw/zinc/33/01/64/500330164.db2.gz AJBVHROCHHWUPB-DENIHFKCSA-N 2 0 365.477 3.358 20 0 FGADRP CCN1CC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@H]1c1ccc(Cl)c(F)c1 ZINC000423012672 500331157 /nfs/dbraw/zinc/33/11/57/500331157.db2.gz DMFYFIGKOZGKIZ-QMKRWISSSA-N 2 0 351.897 3.487 20 0 FGADRP C[C@@H](CCC[NH3+])[NH2+]Cc1ccc(Cl)cc1I ZINC000423079476 500339240 /nfs/dbraw/zinc/33/92/40/500339240.db2.gz AERJRPWYRRLRQC-VIFPVBQESA-N 2 0 352.647 3.162 20 0 FGADRP OC[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1)Cc1cc(F)c(F)c(F)c1 ZINC000423079703 500340023 /nfs/dbraw/zinc/34/00/23/500340023.db2.gz YQQRDVNUNIJEOH-STEAMIEHSA-N 2 0 370.459 3.155 20 0 FGADRP [NH3+]CC1CCC([NH2+][C@H]2CCN(c3cccc(Br)c3)C2)CC1 ZINC000423091920 500341227 /nfs/dbraw/zinc/34/12/27/500341227.db2.gz ZPKBDHVSDACYIC-BCLQGDPASA-N 2 0 352.320 3.135 20 0 FGADRP C[NH+]1CCC(Oc2ccc(C[NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)cc2)CC1 ZINC000423102634 500342452 /nfs/dbraw/zinc/34/24/52/500342452.db2.gz KIRVIGRLWOKJEV-BHIFYINESA-N 3 0 357.542 3.170 20 0 FGADRP Fc1ccccc1N1CC[C@H]([NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000423132247 500346797 /nfs/dbraw/zinc/34/67/97/500346797.db2.gz PCCHXUPOTUHPMR-BPXKWBHBSA-N 2 0 367.468 3.250 20 0 FGADRP CC(C)Cc1ccc([C@H](CN[C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)[NH+](C)C)cc1 ZINC000423136767 500347029 /nfs/dbraw/zinc/34/70/29/500347029.db2.gz ZHOOESGEJQZFIN-GPJHCHHRSA-N 2 0 373.585 3.235 20 0 FGADRP OC[C@H](C[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1ccccc1Cl ZINC000423134599 500347117 /nfs/dbraw/zinc/34/71/17/500347117.db2.gz XBQRPUJJKUWUSX-DLVCFXQMSA-N 2 0 372.896 3.261 20 0 FGADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]CC1(c2ccccc2Br)CCC1 ZINC000423134438 500347122 /nfs/dbraw/zinc/34/71/22/500347122.db2.gz RWMUMSADFGOJFV-VBQJREDUSA-N 2 0 367.331 3.213 20 0 FGADRP CCCOc1c(OC)cc(CC[NH2+][C@H]2CC[NH2+]CC[C@H]2C)cc1OC ZINC000423147042 500348286 /nfs/dbraw/zinc/34/82/86/500348286.db2.gz BVKHQJYEQRTXEN-WBVHZDCISA-N 2 0 350.503 3.013 20 0 FGADRP CCCOc1c(OC)cc(CC[NH2+][C@@H]2CC[NH2+]CC[C@H]2C)cc1OC ZINC000423147040 500348551 /nfs/dbraw/zinc/34/85/51/500348551.db2.gz BVKHQJYEQRTXEN-NVXWUHKLSA-N 2 0 350.503 3.013 20 0 FGADRP CCOC(=O)C1([C@@H](C)[NH2+][C@@H]2CCc3cc(F)c(F)c(F)c32)CC[NH2+]CC1 ZINC000423154050 500349254 /nfs/dbraw/zinc/34/92/54/500349254.db2.gz IOVKQKSMGULPKS-BXUZGUMPSA-N 2 0 370.415 3.002 20 0 FGADRP Fc1cccc(F)c1C1(C[NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)CCC1 ZINC000423174895 500351321 /nfs/dbraw/zinc/35/13/21/500351321.db2.gz CYPVFIYHEVEHBY-BMGDILEWSA-N 2 0 350.453 3.133 20 0 FGADRP Fc1ccccc1-c1nc2c(s1)[C@@H]([NH2+]CCCN1CC[NH2+]CC1)CCC2 ZINC000423176147 500351885 /nfs/dbraw/zinc/35/18/85/500351885.db2.gz GHSCDEDQNDFKQL-KRWDZBQOSA-N 2 0 374.529 3.212 20 0 FGADRP Fc1cccc([C@H]([NH2+]CCCN2CC[NH2+]CC2)c2cccc(Cl)c2)c1 ZINC000423194391 500353876 /nfs/dbraw/zinc/35/38/76/500353876.db2.gz XYXWWKAOUCXALP-HXUWFJFHSA-N 2 0 361.892 3.453 20 0 FGADRP Clc1cc(Br)ccc1[C@H]([NH2+]CCN1CC[NH2+]CC1)C1CC1 ZINC000423209774 500355625 /nfs/dbraw/zinc/35/56/25/500355625.db2.gz VOOBZXORYPKPRX-MRXNPFEDSA-N 2 0 372.738 3.048 20 0 FGADRP C[NH2+]C[C@H](C)C[NH2+][C@H](C)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000423267802 500360009 /nfs/dbraw/zinc/36/00/09/500360009.db2.gz FGPLUDMYUPHFOY-DLBZAZTESA-N 2 0 352.482 3.419 20 0 FGADRP CCc1ccc([C@H](CN2CCOCC2)[NH2+]Cc2ccc([C@@H](C)[NH3+])cc2)cc1 ZINC000423292338 500362058 /nfs/dbraw/zinc/36/20/58/500362058.db2.gz MPLSISIUIJNRHM-JPYJTQIMSA-N 2 0 367.537 3.432 20 0 FGADRP CC(C)(C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]([NH3+])c1ccccc1 ZINC000423301040 500362544 /nfs/dbraw/zinc/36/25/44/500362544.db2.gz FEKPSDJUTNSKOS-VQTJNVASSA-N 2 0 351.494 3.103 20 0 FGADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2N[C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)cc1 ZINC000423324570 500364649 /nfs/dbraw/zinc/36/46/49/500364649.db2.gz HYULZHAYLWGTOJ-PNJWGLBASA-N 2 0 365.521 3.224 20 0 FGADRP C[C@@H]([NH2+]CC1(C)CC[NH2+]CC1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000423324661 500364802 /nfs/dbraw/zinc/36/48/02/500364802.db2.gz IUYGERZYHRLRPQ-MRXNPFEDSA-N 2 0 364.555 3.443 20 0 FGADRP [NH3+][C@@H](C[NH2+][C@H](c1cccc(Br)c1)C1CCOCC1)C1CC1 ZINC000423331766 500364955 /nfs/dbraw/zinc/36/49/55/500364955.db2.gz UVHOPAANWMHFKG-IRXDYDNUSA-N 2 0 353.304 3.244 20 0 FGADRP Cc1ccccc1C[NH+]1CCC(NC(=O)c2ccc([C@H](C)[NH3+])cc2)CC1 ZINC000423338503 500365417 /nfs/dbraw/zinc/36/54/17/500365417.db2.gz RVBRBTBYFMZYPG-KRWDZBQOSA-N 2 0 351.494 3.409 20 0 FGADRP C[NH2+]CCc1ccccc1C(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000423353494 500366992 /nfs/dbraw/zinc/36/69/92/500366992.db2.gz DJYNPNLSYRGWAL-RTBURBONSA-N 2 0 357.542 3.175 20 0 FGADRP C[C@@H]([NH3+])c1ccc(C(=O)NC[C@@H]2CCCC[N@@H+]2Cc2ccccc2)cc1 ZINC000423353588 500367032 /nfs/dbraw/zinc/36/70/32/500367032.db2.gz LYMWEZDDMUJSGB-UTKZUKDTSA-N 2 0 351.494 3.491 20 0 FGADRP C[C@H]([NH2+]CC1=CC[NH2+]CC1)c1ccc(F)c(I)c1 ZINC000423356629 500367093 /nfs/dbraw/zinc/36/70/93/500367093.db2.gz QZFFFEIYVOKNSQ-JTQLQIEISA-N 2 0 360.214 3.001 20 0 FGADRP CCSc1ccccc1[C@@H](C)[NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000423399440 500370083 /nfs/dbraw/zinc/37/00/83/500370083.db2.gz WDUNNXBMFNSAFM-CZUORRHYSA-N 2 0 361.477 3.285 20 0 FGADRP C[C@@H]([NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1cc2ccccc2s1 ZINC000423394849 500370630 /nfs/dbraw/zinc/37/06/30/500370630.db2.gz SEOLIHNTZULZFY-WBMJQRKESA-N 2 0 357.445 3.388 20 0 FGADRP C[C@@H]1C[C@@H](N(C)C(=O)[C@@H]2[NH2+]CCCC2(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000423404991 500371079 /nfs/dbraw/zinc/37/10/79/500371079.db2.gz YOWWNYQBOZVJFZ-HOJAQTOUSA-N 2 0 357.542 3.276 20 0 FGADRP C[C@H]([NH3+])c1ccc(C(=O)N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000423407645 500371589 /nfs/dbraw/zinc/37/15/89/500371589.db2.gz MWGHGCPTOCRXJM-HKUYNNGSSA-N 2 0 351.494 3.300 20 0 FGADRP C[NH+](C)Cc1cc(CNC(=O)C(C)(C)[C@@H]([NH3+])c2ccccc2)ccc1F ZINC000423410172 500371738 /nfs/dbraw/zinc/37/17/38/500371738.db2.gz RJXYFYMSHQHDJB-IBGZPJMESA-N 2 0 357.473 3.230 20 0 FGADRP COCC1(C[NH2+][C@@H](Cc2ccccc2Cl)[C@@H]2CCCO2)CC[NH2+]CC1 ZINC000423413154 500372433 /nfs/dbraw/zinc/37/24/33/500372433.db2.gz YLHUUZCSOOSOAG-OALUTQOASA-N 2 0 366.933 3.036 20 0 FGADRP C[N@H+](CCN(Cc1ccccc1)C(=O)C[C@H]1CC[NH2+]C1)Cc1ccccc1 ZINC000427278974 500376939 /nfs/dbraw/zinc/37/69/39/500376939.db2.gz DXBSADIFFBCROI-JOCHJYFZSA-N 2 0 365.521 3.147 20 0 FGADRP C[C@@H]1C[C@@H](N(C)C(=O)C[C@@H]2CCC[NH2+]CC2)CC[N@@H+]1Cc1ccccc1 ZINC000427275565 500376961 /nfs/dbraw/zinc/37/69/61/500376961.db2.gz PQCAYPKHOXGZIW-SBHAEUEKSA-N 2 0 357.542 3.278 20 0 FGADRP O=C(C[C@@H]1CCC[NH2+]CC1)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000427280826 500377411 /nfs/dbraw/zinc/37/74/11/500377411.db2.gz MBVOKLJTQYYCFB-LJQANCHMSA-N 2 0 357.542 3.459 20 0 FGADRP COc1ccc(NC(=O)C[C@@H](C)[NH2+]CC2([NH3+])C3CC4CC(C3)CC2C4)cc1 ZINC000423531567 500382940 /nfs/dbraw/zinc/38/29/40/500382940.db2.gz SURHVGQOMYMPQR-HMSUTVNQSA-N 2 0 371.525 3.156 20 0 FGADRP COc1ccc(NC(=O)C[C@H](C)[NH2+]CC2([NH3+])C3CC4CC(C3)CC2C4)cc1 ZINC000423531568 500382951 /nfs/dbraw/zinc/38/29/51/500382951.db2.gz SURHVGQOMYMPQR-XPSJVXEXSA-N 2 0 371.525 3.156 20 0 FGADRP COc1ccc(C[NH+]2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)c(OC(F)F)c1 ZINC000582348120 506192972 /nfs/dbraw/zinc/19/29/72/506192972.db2.gz KUVIRAFVWWDTDU-RDJZCZTQSA-N 2 0 370.440 3.015 20 0 FGADRP C[NH+](C)CC1CCC(NC(=O)c2ccccc2CC2CC[NH2+]CC2)CC1 ZINC000423741696 500398213 /nfs/dbraw/zinc/39/82/13/500398213.db2.gz ICZJBQAJQLWJLW-UHFFFAOYSA-N 2 0 357.542 3.079 20 0 FGADRP C[C@@H]([NH3+])CCC(=O)N(CCC[NH+](C)C)Cc1ccc(Cl)c(Cl)c1 ZINC000423765585 500400331 /nfs/dbraw/zinc/40/03/31/500400331.db2.gz URTMOIIBPNLZMI-CYBMUJFWSA-N 2 0 360.329 3.401 20 0 FGADRP C[C@H](C(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)cc1)[C@H]([NH3+])c1ccccc1 ZINC000423777840 500400842 /nfs/dbraw/zinc/40/08/42/500400842.db2.gz SJKBNBYPWCOZAT-JVPBZIDWSA-N 2 0 359.901 3.395 20 0 FGADRP COc1ccc([C@H](CNC(=O)CC[C@@H]2CCCC[N@@H+]2C)[NH+]2CCCC2)cc1 ZINC000431652415 500403404 /nfs/dbraw/zinc/40/34/04/500403404.db2.gz CEKFGNQLPGPEER-FPOVZHCZSA-N 2 0 373.541 3.213 20 0 FGADRP C[NH+](C)Cc1ccc(CNC(=O)C(C)(C)[C@@H]([NH3+])c2ccccc2)cc1F ZINC000423850434 500411729 /nfs/dbraw/zinc/41/17/29/500411729.db2.gz SSNVAICFCAOUOF-IBGZPJMESA-N 2 0 357.473 3.230 20 0 FGADRP CC1(C)CCc2ccccc2[C@H](NC(=O)CCC[NH+]2CCC([NH3+])CC2)C1 ZINC000423929959 500420285 /nfs/dbraw/zinc/42/02/85/500420285.db2.gz NFAJDSXPDNCTMZ-HXUWFJFHSA-N 2 0 357.542 3.410 20 0 FGADRP CCc1ccccc1[C@H]([NH3+])CNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000423939066 500421158 /nfs/dbraw/zinc/42/11/58/500421158.db2.gz LKMNHKGBKIRWNO-RTWAWAEBSA-N 2 0 351.494 3.030 20 0 FGADRP CCc1ccccc1[C@@H]([NH3+])CNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000423939067 500421245 /nfs/dbraw/zinc/42/12/45/500421245.db2.gz LKMNHKGBKIRWNO-SFTDATJTSA-N 2 0 351.494 3.030 20 0 FGADRP Cc1ccc([C@@H](CNC(=O)C[C@@H](c2ccccc2)[NH+](C)C)[NH+](C)C)cc1 ZINC000431770858 500422229 /nfs/dbraw/zinc/42/22/29/500422229.db2.gz GXFJXWLWIBTQID-LEWJYISDSA-N 2 0 353.510 3.407 20 0 FGADRP Cc1ccc([C@H](CNC(=O)C[C@H](c2ccccc2)[NH+](C)C)[NH+](C)C)cc1 ZINC000431770860 500422449 /nfs/dbraw/zinc/42/24/49/500422449.db2.gz GXFJXWLWIBTQID-RTWAWAEBSA-N 2 0 353.510 3.407 20 0 FGADRP CCC[NH+]1CCC(CNC(=O)N[C@H]2CCCC[C@@H]2C[NH+](CC)CC)CC1 ZINC000431789691 500425211 /nfs/dbraw/zinc/42/52/11/500425211.db2.gz CFRGEHXQEVAPGM-UXHICEINSA-N 2 0 366.594 3.308 20 0 FGADRP CC(C)[C@H](C(=O)Nc1nc(C2CC[NH2+]CC2)cs1)[NH+]1CCCCC1 ZINC000423977306 500428346 /nfs/dbraw/zinc/42/83/46/500428346.db2.gz IDNIYWJGONCAED-MRXNPFEDSA-N 2 0 350.532 3.059 20 0 FGADRP O=C([C@@H]1CCC[N@H+](Cc2ccccc2)C1)N1CC[NH2+]C[C@@H]1c1ccccc1 ZINC000423992367 500431455 /nfs/dbraw/zinc/43/14/55/500431455.db2.gz GCSMMQRTNUEVDN-FGZHOGPDSA-N 2 0 363.505 3.072 20 0 FGADRP C[NH+](C)[C@H](CC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)c1ccccc1 ZINC000431845274 500433377 /nfs/dbraw/zinc/43/33/77/500433377.db2.gz NSWJGPIARHQCKU-SESVDKBCSA-N 2 0 355.526 3.155 20 0 FGADRP COc1ccc([C@H](C[NH3+])C[N@H+](C)Cc2ccccc2N2CCCC2)cc1 ZINC000420304897 500437494 /nfs/dbraw/zinc/43/74/94/500437494.db2.gz OWGNHHORDXPJGN-HXUWFJFHSA-N 2 0 353.510 3.470 20 0 FGADRP FC(F)(F)c1ccc(CN2CCC[N@H+](CC[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000420305580 500438574 /nfs/dbraw/zinc/43/85/74/500438574.db2.gz POSAISVOTWXDHG-INIZCTEOSA-N 2 0 355.448 3.213 20 0 FGADRP CC[N@H+](CC[C@@H]1CC[NH2+]C1)C1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC000420312481 500438724 /nfs/dbraw/zinc/43/87/24/500438724.db2.gz HTEXRLCJQGBVFQ-SFHVURJKSA-N 3 0 359.562 3.199 20 0 FGADRP COc1ccc([C@H](C[NH3+])CN2CCC[C@@H](C[NH+]3CCCCCC3)C2)cc1 ZINC000420313135 500439186 /nfs/dbraw/zinc/43/91/86/500439186.db2.gz IPRDXXVCRLWOHQ-PZJWPPBQSA-N 2 0 359.558 3.326 20 0 FGADRP C[C@H](c1ccc(Cl)cc1)N(C)C(=O)C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000420329869 500442850 /nfs/dbraw/zinc/44/28/50/500442850.db2.gz AAJBWDDPGDNAOA-DNVCBOLYSA-N 2 0 363.933 3.323 20 0 FGADRP C[C@H]1CCN(CC(=O)Nc2ccccc2Oc2ccccc2)C[C@@H]1C[NH3+] ZINC000420378578 500450832 /nfs/dbraw/zinc/45/08/32/500450832.db2.gz MEYXKGNZKASXEF-IRXDYDNUSA-N 2 0 353.466 3.334 20 0 FGADRP CSc1ccc(OCC[NH+]2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)cc1 ZINC000420377473 500450863 /nfs/dbraw/zinc/45/08/63/500450863.db2.gz LCDMIRJCFYMSEI-OALUTQOASA-N 2 0 350.528 3.006 20 0 FGADRP Brc1cccc(OC2CC[NH+](CC[C@H]3CC[NH2+]C3)CC2)c1 ZINC000420378988 500450977 /nfs/dbraw/zinc/45/09/77/500450977.db2.gz UXIHSVCWVHNTQU-CQSZACIVSA-N 2 0 353.304 3.292 20 0 FGADRP O=C(CC[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1)Nc1cc(Cl)ccc1Cl ZINC000420378252 500451211 /nfs/dbraw/zinc/45/12/11/500451211.db2.gz QDJZRMYVGYIAJK-QGZVFWFLSA-N 2 0 356.297 3.398 20 0 FGADRP [NH3+][C@@H]1CCO[C@H](C2CC[NH+](CCOc3ccc(F)cc3Cl)CC2)C1 ZINC000420383823 500452521 /nfs/dbraw/zinc/45/25/21/500452521.db2.gz FRHGHHHXVMYEBA-QAPCUYQASA-N 2 0 356.869 3.076 20 0 FGADRP Brc1cccc(OCC[N@@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)c1 ZINC000420384425 500452711 /nfs/dbraw/zinc/45/27/11/500452711.db2.gz DSYYMRRZEFLTLR-PBHICJAKSA-N 2 0 353.304 3.292 20 0 FGADRP [NH3+]Cc1cn([C@@H]2CCC[N@H+](CCCSc3ccccc3Cl)C2)nn1 ZINC000420388114 500453241 /nfs/dbraw/zinc/45/32/41/500453241.db2.gz WQJZCZQONIMRPT-OAHLLOKOSA-N 2 0 365.934 3.210 20 0 FGADRP C[C@@H]([NH2+]C1(C(=O)Nc2ccccc2)CC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000427991870 500455635 /nfs/dbraw/zinc/45/56/35/500455635.db2.gz ZYEIQHCCJFZQMZ-QGZVFWFLSA-N 2 0 367.493 3.449 20 0 FGADRP C[C@@H]1CCC[N@H+](Cc2ccccc2C[NH2+][C@H]2CCN(C(C)(C)C)C2=O)C1 ZINC000424116562 500456359 /nfs/dbraw/zinc/45/63/59/500456359.db2.gz XMDCLCFYOFJSSM-XLIONFOSSA-N 2 0 357.542 3.408 20 0 FGADRP C[C@H](NC(=O)[C@H]1CCCCN1Cc1ccc(F)cc1)C(C)(C)C[NH+](C)C ZINC000428004231 500457365 /nfs/dbraw/zinc/45/73/65/500457365.db2.gz FTPZPVHZDVGCQH-QFBILLFUSA-N 2 0 363.521 3.273 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)NCC1CC[NH+](C2CC2)CC1)c1ccccc1 ZINC000428146796 500474177 /nfs/dbraw/zinc/47/41/77/500474177.db2.gz CGUMJBVFKIEICB-OAQYLSRUSA-N 2 0 372.557 3.243 20 0 FGADRP CC[N@H+](Cc1ccc(C(=O)N2CC3(C[C@@H]2C)CC[NH2+]CC3)cc1)C1CC1 ZINC000424248047 500474826 /nfs/dbraw/zinc/47/48/26/500474826.db2.gz WYOURSWSKLSYBJ-KRWDZBQOSA-N 2 0 355.526 3.275 20 0 FGADRP CCOc1ccccc1[C@@H](CC)NC(=O)C[N@@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424283689 500480799 /nfs/dbraw/zinc/48/07/99/500480799.db2.gz BNJVBNQEVNUEHU-IEBWSBKVSA-N 2 0 373.541 3.117 20 0 FGADRP CCOc1ccccc1[C@@H](CC)NC(=O)C[N@@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424283692 500480851 /nfs/dbraw/zinc/48/08/51/500480851.db2.gz BNJVBNQEVNUEHU-PKOBYXMFSA-N 2 0 373.541 3.117 20 0 FGADRP CCOc1ccccc1[C@H](CC)NC(=O)C[N@@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424283690 500481012 /nfs/dbraw/zinc/48/10/12/500481012.db2.gz BNJVBNQEVNUEHU-MJGOQNOKSA-N 2 0 373.541 3.117 20 0 FGADRP C[C@H](C1CC1)N(Cc1ccccc1)C(=O)C[N@@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424284228 500481099 /nfs/dbraw/zinc/48/10/99/500481099.db2.gz DCWQSOAKKUMYRV-RBUKOAKNSA-N 2 0 369.553 3.278 20 0 FGADRP CC(C)[C@@H](NC(=O)C[N@@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2)c1ccc(F)cc1 ZINC000424285738 500481226 /nfs/dbraw/zinc/48/12/26/500481226.db2.gz GIFMMWCIRHHNJC-OXJNMPFZSA-N 2 0 361.505 3.103 20 0 FGADRP CCOc1ccccc1[C@H](CC)NC(=O)C[N@@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424283686 500481279 /nfs/dbraw/zinc/48/12/79/500481279.db2.gz BNJVBNQEVNUEHU-HKUYNNGSSA-N 2 0 373.541 3.117 20 0 FGADRP C[C@@H]1CC2(C[N@@H+]1CC(=O)N[C@H](c1ccccc1)C1CCCC1)CC[NH2+]CC2 ZINC000424289549 500481749 /nfs/dbraw/zinc/48/17/49/500481749.db2.gz LXGSQOWSGDBSOH-XMSQKQJNSA-N 2 0 369.553 3.498 20 0 FGADRP COc1cc(Cl)c(C)cc1NC(=O)C[N@@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424302304 500483661 /nfs/dbraw/zinc/48/36/61/500483661.db2.gz ZENLGYSJKQAOPW-AWEZNQCLSA-N 2 0 365.905 3.060 20 0 FGADRP O=C1CCCN1CCC[NH2+][C@@H]1CCCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000428235388 500484767 /nfs/dbraw/zinc/48/47/67/500484767.db2.gz CNIUTZCTRAUMIF-YPAWHYETSA-N 2 0 369.553 3.279 20 0 FGADRP CC(C)[C@@H](C[NH2+]Cc1ccc(F)c(Cl)c1Cl)N1CC[NH+](C)CC1 ZINC000432230006 500486776 /nfs/dbraw/zinc/48/67/76/500486776.db2.gz WYAZNBKAQDINER-OAHLLOKOSA-N 2 0 362.320 3.494 20 0 FGADRP COc1cccc(CN(CC[NH+](C)C)C(=O)Nc2cc(C)cc(C[NH3+])c2)c1 ZINC000424418492 500500763 /nfs/dbraw/zinc/50/07/63/500500763.db2.gz BJPOYIAKDNELNN-UHFFFAOYSA-N 2 0 370.497 3.058 20 0 FGADRP COc1ccc(Br)cc1CNCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000432349819 500503118 /nfs/dbraw/zinc/50/31/18/500503118.db2.gz XCRCIERWVVQBJX-CQSZACIVSA-N 2 0 371.319 3.048 20 0 FGADRP CCc1nc(C)c(CN(C)C[C@@H]2CCC[N@@H+](CC)[C@H]2c2cnn(C)c2)o1 ZINC000428433005 500509173 /nfs/dbraw/zinc/50/91/73/500509173.db2.gz RVXZHRQRZGEPNB-OXJNMPFZSA-N 2 0 359.518 3.184 20 0 FGADRP Cc1c([C@H](C)NCCC[N@@H+]2CCCO[C@H](C)C2)nnn1-c1ccc(C)cc1 ZINC000432412778 500512905 /nfs/dbraw/zinc/51/29/05/500512905.db2.gz CVDFCUQXRMGURR-MSOLQXFVSA-N 2 0 371.529 3.036 20 0 FGADRP COc1ccc2c(c1)[C@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)CCS2 ZINC000432428910 500515026 /nfs/dbraw/zinc/51/50/26/500515026.db2.gz OBBWOCAWUYKJPN-MAUKXSAKSA-N 2 0 350.528 3.323 20 0 FGADRP CC[C@@H]1CN(C(=O)NC2CCC([NH+](C)C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000420889887 500522906 /nfs/dbraw/zinc/52/29/06/500522906.db2.gz JQBNNOHPTLMYNO-NYLDSWQDSA-N 2 0 372.557 3.165 20 0 FGADRP c1cc(C2CC[NH+](Cc3ccc(CN4CCOCC4)cc3)CC2)ccn1 ZINC000420921068 500531196 /nfs/dbraw/zinc/53/11/96/500531196.db2.gz LAOSCQDSSDYQLS-UHFFFAOYSA-N 2 0 351.494 3.293 20 0 FGADRP CC[NH+]1CCC(N2CCC[N@H+](Cc3cc(F)cc4cccnc43)CC2)CC1 ZINC000420982472 500547878 /nfs/dbraw/zinc/54/78/78/500547878.db2.gz OUGWSQVWNQNSMV-UHFFFAOYSA-N 2 0 370.516 3.366 20 0 FGADRP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+]2CC[C@@H](C)C[C@H](C)C2)CC1 ZINC000432781774 500562796 /nfs/dbraw/zinc/56/27/96/500562796.db2.gz PTMPCTVGGPFARD-MOPGFXCFSA-N 2 0 371.569 3.444 20 0 FGADRP CN(CC[N@H+](C)CCc1cc(Cl)cc(Cl)c1)C1CC[NH+](C)CC1 ZINC000447310433 500590063 /nfs/dbraw/zinc/59/00/63/500590063.db2.gz XRCJJYYPVSEJQK-UHFFFAOYSA-N 2 0 358.357 3.494 20 0 FGADRP CCc1ccc([C@H](CNC(=O)c2sccc2C[NH+](C)C)[NH+](C)C)cc1 ZINC000447429382 500604859 /nfs/dbraw/zinc/60/48/59/500604859.db2.gz XUBXQOFNCWFDGE-SFHVURJKSA-N 2 0 359.539 3.405 20 0 FGADRP C[C@@H](C[NH2+][C@H](Cc1ccc(F)cc1)c1ccccc1)N1CC[NH+](C)CC1 ZINC000447543391 500621139 /nfs/dbraw/zinc/62/11/39/500621139.db2.gz LLCJDYJACMXCBV-PGRDOPGGSA-N 2 0 355.501 3.335 20 0 FGADRP [NH3+]C1CC[NH+](CCCC(=O)N2CCC[C@H]2c2nc3ccccc3s2)CC1 ZINC000433112959 500628366 /nfs/dbraw/zinc/62/83/66/500628366.db2.gz AVSYDPIEDNPKGP-KRWDZBQOSA-N 2 0 372.538 3.163 20 0 FGADRP [NH3+]C1CC[NH+](CCCC(=O)N(C2CC2)[C@H]2CCCc3ccccc32)CC1 ZINC000433112960 500628632 /nfs/dbraw/zinc/62/86/32/500628632.db2.gz CNSIXGGPFCBNIS-NRFANRHFSA-N 2 0 355.526 3.258 20 0 FGADRP Cc1ccc(NC(=O)CCC[NH+]2CCC([NH3+])CC2)c(OCC(F)(F)F)c1 ZINC000433117736 500629841 /nfs/dbraw/zinc/62/98/41/500629841.db2.gz PLCJCNMACIVTPO-UHFFFAOYSA-N 2 0 373.419 3.078 20 0 FGADRP C[NH+](C)CCOCC[NH2+][C@H]1CCc2c1cc(Cl)cc2Br ZINC000447592097 500630709 /nfs/dbraw/zinc/63/07/09/500630709.db2.gz GTDVXHMYHXWGIF-HNNXBMFYSA-N 2 0 361.711 3.258 20 0 FGADRP C[C@H]([NH2+]CCc1ccc(OCC[NH+]2C[C@H](C)[C@@H](C)C2)cc1)c1ccnn1C ZINC000447589272 500630742 /nfs/dbraw/zinc/63/07/42/500630742.db2.gz XIXVMNODWNUMMO-FHWLQOOXSA-N 2 0 370.541 3.280 20 0 FGADRP CCO[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)[C@@]12CCCO2 ZINC000447597678 500631250 /nfs/dbraw/zinc/63/12/50/500631250.db2.gz TUQXBJWHEPMPBW-KVAWTYEWSA-N 2 0 370.537 3.498 20 0 FGADRP CCN(Cc1ccc2ccccc2c1)C(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433136271 500632820 /nfs/dbraw/zinc/63/28/20/500632820.db2.gz XCZZCKDAZKAKOG-UHFFFAOYSA-N 2 0 353.510 3.392 20 0 FGADRP CC(C)(C)[C@@H](NC(=O)CCC[NH+]1CCC([NH3+])CC1)c1ccc(F)cc1F ZINC000433147919 500635266 /nfs/dbraw/zinc/63/52/66/500635266.db2.gz FFKDIOYEFJZAOG-IBGZPJMESA-N 2 0 367.484 3.372 20 0 FGADRP Cc1cc(Cl)c2c(c1)[C@@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)CCCO2 ZINC000442874880 500637733 /nfs/dbraw/zinc/63/77/33/500637733.db2.gz MVRZVKIENYWOAG-SFHVURJKSA-N 2 0 365.949 3.478 20 0 FGADRP C[C@@H]1C[C@@H]1[C@H](NC(=O)CCC[NH+]1CCC([NH3+])CC1)c1ccc(Cl)cc1 ZINC000433168091 500638402 /nfs/dbraw/zinc/63/84/02/500638402.db2.gz QGNHRYBPQXJCON-HEFCMCLBSA-N 2 0 363.933 3.357 20 0 FGADRP CCOc1cc(C[N@@H+]2CCC[C@H](CC[NH3+])C2)cc(Br)c1OC ZINC000442917138 500646453 /nfs/dbraw/zinc/64/64/53/500646453.db2.gz CGTDFISPMIFVPB-CYBMUJFWSA-N 2 0 371.319 3.417 20 0 FGADRP [NH3+]CC[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2OC[C@@H]2CCCO2)C1 ZINC000442933052 500649007 /nfs/dbraw/zinc/64/90/07/500649007.db2.gz ZLVIAUATZOFEIH-YJBOKZPZSA-N 2 0 352.906 3.459 20 0 FGADRP [NH3+]CC[C@H]1CCC[N@H+](CC(=O)Nc2ccc(Cl)cc2C(F)(F)F)C1 ZINC000443068209 500673603 /nfs/dbraw/zinc/67/36/03/500673603.db2.gz VQIUJKSASXGMPI-LLVKDONJSA-N 2 0 363.811 3.358 20 0 FGADRP [NH3+]CC[C@H]1CCC[N@H+](CC(=O)N(Cc2ccccc2)c2ccccc2)C1 ZINC000443073680 500675277 /nfs/dbraw/zinc/67/52/77/500675277.db2.gz PFKHANPVABFPNY-HXUWFJFHSA-N 2 0 351.494 3.281 20 0 FGADRP CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443079033 500675846 /nfs/dbraw/zinc/67/58/46/500675846.db2.gz YCLHSBHJSBCIIT-CYBMUJFWSA-N 2 0 358.313 3.013 20 0 FGADRP C[C@@H](NC(=O)C[N@@H+]1CCC[C@@H](CC[NH3+])C1)c1ccc(Cl)c(Cl)c1 ZINC000443079433 500676317 /nfs/dbraw/zinc/67/63/17/500676317.db2.gz ZMWRCDKEIHYBCM-OLZOCXBDSA-N 2 0 358.313 3.231 20 0 FGADRP c1ccc(COc2ccc(C[N@@H+]3CCC[C@H]([C@H]4CC[NH2+]C4)C3)cc2)nc1 ZINC000573564642 506212595 /nfs/dbraw/zinc/21/25/95/506212595.db2.gz HRVNAXHTILREGU-PMACEKPBSA-N 2 0 351.494 3.482 20 0 FGADRP C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]C1CCC([NH3+])CC1 ZINC000437800504 500698453 /nfs/dbraw/zinc/69/84/53/500698453.db2.gz NIWPZLRRSBAKCK-XGNXJENSSA-N 2 0 354.292 3.026 20 0 FGADRP O=C(NC[C@H]1CCC[N@@H+]1C1CCCCC1)NC[C@H]1CCCC[NH+]1C1CC1 ZINC000437864115 500708882 /nfs/dbraw/zinc/70/88/82/500708882.db2.gz IGGOZGWSUVTAQR-WOJBJXKFSA-N 2 0 362.562 3.100 20 0 FGADRP CC(C)[N@@H+]1CC[C@@H](CNC(=O)NCC2([NH+](C)Cc3ccccc3)CCC2)C1 ZINC000570656001 506210745 /nfs/dbraw/zinc/21/07/45/506210745.db2.gz WSOZQEQEVIWAMJ-FQEVSTJZSA-N 2 0 372.557 3.071 20 0 FGADRP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)NCCC[NH+](C(C)C)C(C)C)C1 ZINC000448211311 500733661 /nfs/dbraw/zinc/73/36/61/500733661.db2.gz BZXGMKKSYSWXLS-IBGZPJMESA-N 2 0 354.583 3.163 20 0 FGADRP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)NCCC[NH+](C)C2CCCCC2)C1 ZINC000448220222 500735196 /nfs/dbraw/zinc/73/51/96/500735196.db2.gz MXKKBKKCWKYRHW-IBGZPJMESA-N 2 0 366.594 3.308 20 0 FGADRP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)NC[C@H]2CCC[NH+]2C2CCCCC2)C1 ZINC000438141681 500744576 /nfs/dbraw/zinc/74/45/76/500744576.db2.gz KSRAMPPELUTRND-AZUAARDMSA-N 2 0 364.578 3.203 20 0 FGADRP C[NH+](C)C1CCN(c2ccc(NCCCCOc3ccccc3)nc2)CC1 ZINC000438177764 500750248 /nfs/dbraw/zinc/75/02/48/500750248.db2.gz LHZVQKDSFXJVTI-UHFFFAOYSA-N 2 0 368.525 3.305 20 0 FGADRP C[C@@H](CCCOc1ccccc1C(N)=O)[NH2+]C[C@H]1N(C)CCCC1(C)C ZINC000448367873 500753817 /nfs/dbraw/zinc/75/38/17/500753817.db2.gz RWBLXBAWDAOUFD-QFBILLFUSA-N 2 0 361.530 3.043 20 0 FGADRP FC(F)(F)[C@H]1CCC[C@@H]([NH2+]CCCN2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000438209619 500754836 /nfs/dbraw/zinc/75/48/36/500754836.db2.gz DAGHXSJHSNYSAG-DLBZAZTESA-N 2 0 370.463 3.304 20 0 FGADRP O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000433940274 500768455 /nfs/dbraw/zinc/76/84/55/500768455.db2.gz KQCJJHVFCYFDLG-RTWAWAEBSA-N 2 0 370.541 3.140 20 0 FGADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+]CC(C)(C)N2CCOCC2)CC1 ZINC000438827466 500824072 /nfs/dbraw/zinc/82/40/72/500824072.db2.gz SGYOKIVBHSXYFN-UHFFFAOYSA-N 2 0 359.558 3.130 20 0 FGADRP CCO[C@@H]1C[C@](CO)([NH2+][C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)C1(C)C ZINC000438829990 500824800 /nfs/dbraw/zinc/82/48/00/500824800.db2.gz SWJBPNSIPRXERV-LLMJNHHCSA-N 2 0 360.542 3.053 20 0 FGADRP C[C@H]([NH3+])CCC(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000434691001 500880103 /nfs/dbraw/zinc/88/01/03/500880103.db2.gz MIPMIQSJTYHMGP-YEWWUXTCSA-N 2 0 371.447 3.332 20 0 FGADRP CC[NH+](CC)CCOc1ccccc1NC(=O)NC1(C[NH+](C)C)CCC1 ZINC000439348014 500888079 /nfs/dbraw/zinc/88/80/79/500888079.db2.gz XOFXNXOOTYWGSS-UHFFFAOYSA-N 2 0 362.518 3.013 20 0 FGADRP COc1cc(C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)cc2ccccc21 ZINC000449037126 500907332 /nfs/dbraw/zinc/90/73/32/500907332.db2.gz MJRBWXMGNKYERY-PGRDOPGGSA-N 2 0 367.537 3.306 20 0 FGADRP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+]CC(C)(C)N2CCOCC2)CC1 ZINC000449061409 500914368 /nfs/dbraw/zinc/91/43/68/500914368.db2.gz IOCJUDONTJUGNQ-UHFFFAOYSA-N 2 0 353.595 3.366 20 0 FGADRP COCC[N@H+](C)CCC[NH2+]C1CC(c2ccc(Br)cc2F)C1 ZINC000449080427 500919158 /nfs/dbraw/zinc/91/91/58/500919158.db2.gz WCGNSNZNCXHWFL-UHFFFAOYSA-N 2 0 373.310 3.392 20 0 FGADRP C[C@H](C[NH2+]CCCC[N@@H+]1CCC[C@H](C)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000449081676 500920397 /nfs/dbraw/zinc/92/03/97/500920397.db2.gz HBOZUROXWNNBNG-ZWKOTPCHSA-N 2 0 366.571 3.295 20 0 FGADRP COc1nccc(C[NH2+]CCCC[NH+]2CCC(Cc3ccccc3)CC2)n1 ZINC000449124464 500930889 /nfs/dbraw/zinc/93/08/89/500930889.db2.gz PCRBSHGYXYBTPW-UHFFFAOYSA-N 2 0 368.525 3.310 20 0 FGADRP COc1nccnc1C[NH2+]CC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000449127670 500931404 /nfs/dbraw/zinc/93/14/04/500931404.db2.gz PPYKXYQMYPUPHE-UHFFFAOYSA-N 2 0 360.889 3.140 20 0 FGADRP C[NH2+]CCC1CC[NH+](Cc2cc(OC)ccc2OCc2ccccn2)CC1 ZINC000435369773 500960512 /nfs/dbraw/zinc/96/05/12/500960512.db2.gz GORZRMNSHRMRCK-UHFFFAOYSA-N 2 0 369.509 3.491 20 0 FGADRP O=C(NC[C@H]1CCC[N@@H+]1Cc1ccccc1)[C@H]1CCC[NH+]1C1CCCC1 ZINC000439965192 500960539 /nfs/dbraw/zinc/96/05/39/500960539.db2.gz ZUDYZLIZKOXDSW-NHCUHLMSSA-N 2 0 355.526 3.174 20 0 FGADRP C[NH2+]CCC1CC[NH+](Cc2ccc(OCc3ccncc3)c(OC)c2)CC1 ZINC000435377858 500963116 /nfs/dbraw/zinc/96/31/16/500963116.db2.gz FWWMKVBIPWQWAB-UHFFFAOYSA-N 2 0 369.509 3.491 20 0 FGADRP Cc1cccc(CC[NH+]2CCN([C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)c1 ZINC000449323755 500977332 /nfs/dbraw/zinc/97/73/32/500977332.db2.gz WTVUATGYKLGJNH-DEOSSOPVSA-N 2 0 363.549 3.430 20 0 FGADRP COc1cccc2c(C[N@H+](C)CCN(C)C3CC[NH+](C)CC3)cccc12 ZINC000449324206 500977491 /nfs/dbraw/zinc/97/74/91/500977491.db2.gz DEXXBYKOUXDPQM-UHFFFAOYSA-N 2 0 355.526 3.306 20 0 FGADRP C[C@@H]1CSC[C@H]1[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000449343931 500982609 /nfs/dbraw/zinc/98/26/09/500982609.db2.gz OFTDTODFEITDIE-YZGWKJHDSA-N 2 0 360.567 3.256 20 0 FGADRP C[C@H]1CN(Cc2ccccc2N(C)C2CC[NH+](C)CC2)CC[N@@H+](C2CC2)C1 ZINC000449344460 500983090 /nfs/dbraw/zinc/98/30/90/500983090.db2.gz CMWPUIWCDIQEDI-IBGZPJMESA-N 2 0 370.585 3.133 20 0 FGADRP C[C@@H]1C[C@H]([NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)[C@@H](C)O1 ZINC000449345411 500983142 /nfs/dbraw/zinc/98/31/42/500983142.db2.gz VMGATZLOZHPFKK-UKAVVXHISA-N 2 0 358.526 3.071 20 0 FGADRP O[C@H](C[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12)Cc1cccc(F)c1 ZINC000449358702 500986488 /nfs/dbraw/zinc/98/64/88/500986488.db2.gz FZFMBHLJEGMANJ-CWKRKGSWSA-N 2 0 368.496 3.229 20 0 FGADRP CC[N@H+](CCC(=O)Nc1cc(Cl)ccc1OC)[C@H]1CCC[NH2+]CC1 ZINC000435623131 501003965 /nfs/dbraw/zinc/00/39/65/501003965.db2.gz GGDMBJFVARZFNV-HNNXBMFYSA-N 2 0 353.894 3.141 20 0 FGADRP CCOc1ccc([C@H]2CCCN2C(=O)CN(CC)[C@H]2CCC[NH2+]CC2)cc1 ZINC000435629178 501004622 /nfs/dbraw/zinc/00/46/22/501004622.db2.gz WXOIRSQNKJLKDG-PZJWPPBQSA-N 2 0 373.541 3.213 20 0 FGADRP CCC[NH+]1CCN(c2ccccc2C[NH2+][C@H]([C@@H](CO)C2CC2)C2CC2)CC1 ZINC000449503962 501019209 /nfs/dbraw/zinc/01/92/09/501019209.db2.gz IOSCKZJGCLXOJQ-GMAHTHKFSA-N 2 0 371.569 3.105 20 0 FGADRP Cc1ccccc1C[N@H+]1CCCN(C(=O)NCC[NH+](C(C)C)C(C)C)CC1 ZINC000611625888 506232570 /nfs/dbraw/zinc/23/25/70/506232570.db2.gz QLGYHOYCDLRRMB-UHFFFAOYSA-N 2 0 374.573 3.331 20 0 FGADRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2ccc(Br)c(F)c2)CC1 ZINC000449747748 501074971 /nfs/dbraw/zinc/07/49/71/501074971.db2.gz YGIJWHVYGZWBTK-UHFFFAOYSA-N 2 0 372.326 3.094 20 0 FGADRP C[C@H]([NH2+][C@@H]1CCO[C@@H](c2nccn2C)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000449770786 501082628 /nfs/dbraw/zinc/08/26/28/501082628.db2.gz IZIXXEFORFGIFW-MJUUVYJYSA-N 2 0 368.525 3.140 20 0 FGADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2CCOc1ccc2ccccc2c1 ZINC000441172058 501098471 /nfs/dbraw/zinc/09/84/71/501098471.db2.gz HAHGVLZRFCGITN-CEMLEFRQSA-N 2 0 354.494 3.402 20 0 FGADRP CC1(C)[C@@H]2OCCC[C@H]2[C@@]1([NH3+])C(=O)Nc1cccc(Oc2ccncc2)c1 ZINC000446371916 501111184 /nfs/dbraw/zinc/11/11/84/501111184.db2.gz HITRLYSMXQFRDL-DBXWQHBBSA-N 2 0 367.449 3.345 20 0 FGADRP Cc1ccc([C@H]2CCC[C@H]2[N@H+](C)CC(=O)NC2CC[NH+](C3CC3)CC2)cc1 ZINC000441352983 501125593 /nfs/dbraw/zinc/12/55/93/501125593.db2.gz LGZDPFCDMRXLBI-FGZHOGPDSA-N 2 0 369.553 3.306 20 0 FGADRP C[C@H]([NH2+]C1(CNC(=O)NCC2([NH+](C)C)CCC2)CCCC1)c1ccccc1 ZINC000446617473 501142308 /nfs/dbraw/zinc/14/23/08/501142308.db2.gz MMHBYRMMWFGTRR-SFHVURJKSA-N 2 0 372.557 3.434 20 0 FGADRP Cc1ccc([C@H](CCn2cncn2)[NH2+]C[C@H](C)C[NH+]2CCCCC2)cc1 ZINC000446743284 501160094 /nfs/dbraw/zinc/16/00/94/501160094.db2.gz DOWHTQPNHQGORJ-FPOVZHCZSA-N 2 0 355.530 3.430 20 0 FGADRP COc1ccc([C@@H](CCn2cncn2)[NH2+]CCC[NH+]2CCC(C)CC2)cc1 ZINC000446756140 501161847 /nfs/dbraw/zinc/16/18/47/501161847.db2.gz DERHTBOQUAJYRE-OAQYLSRUSA-N 2 0 371.529 3.130 20 0 FGADRP CC(C)[C@H](COCc1ccccc1)[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000446837297 501171156 /nfs/dbraw/zinc/17/11/56/501171156.db2.gz WPIHAZSPAVSYBD-IRLDBZIGSA-N 2 0 360.542 3.318 20 0 FGADRP CC[C@@H]([NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1)c1cccc(F)c1 ZINC000446927493 501181886 /nfs/dbraw/zinc/18/18/86/501181886.db2.gz GYIKZZKTHBNMSR-LJQANCHMSA-N 2 0 363.521 3.493 20 0 FGADRP C[NH+](Cc1cc(C[N@@H+](C)[C@@H]2CCCOC2)ccc1F)[C@@H]1CCCOC1 ZINC000450978434 501236624 /nfs/dbraw/zinc/23/66/24/501236624.db2.gz MCXFUSWGILIYGW-RTBURBONSA-N 2 0 350.478 3.047 20 0 FGADRP c1ccc(C[N@@H+]2CC[C@H](N3CC[NH+](CC45CCC(CC4)C5)CC3)C2)cc1 ZINC000450981983 501236683 /nfs/dbraw/zinc/23/66/83/501236683.db2.gz JRCDKTDGIJNLCS-APKLWFBNSA-N 2 0 353.554 3.459 20 0 FGADRP C(C[NH+]1CCC[C@@]2(CCC[N@@H+](CC[C@H]3CCOC3)C2)C1)[C@@H]1CCOC1 ZINC000451045987 501241659 /nfs/dbraw/zinc/24/16/59/501241659.db2.gz NKENWYLTOSNAOH-QHAWAJNXSA-N 2 0 350.547 3.018 20 0 FGADRP CC[C@H]([NH2+]Cc1ccccc1CN1CC[NH+](CC)CC1)c1ccncc1 ZINC000453067938 501262317 /nfs/dbraw/zinc/26/23/17/501262317.db2.gz SGSHUFAZBCPQHV-QFIPXVFZSA-N 2 0 352.526 3.460 20 0 FGADRP CC[C@@H]([NH2+][C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C)c1ccsc1 ZINC000453182507 501287079 /nfs/dbraw/zinc/28/70/79/501287079.db2.gz MNTUSLOKUKCUHV-MOPGFXCFSA-N 2 0 359.539 3.078 20 0 FGADRP c1cn2c(n1)C[C@H]([NH2+][C@H]1CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@@H]31)CC2 ZINC000453205236 501290754 /nfs/dbraw/zinc/29/07/54/501290754.db2.gz SXQSUXBBFMRAKG-CGXNFDGLSA-N 2 0 350.510 3.231 20 0 FGADRP Cc1ccccc1C[NH+]1CCC(NC(=O)C[NH2+][C@H]2CCC23CCCC3)CC1 ZINC000451464232 501298181 /nfs/dbraw/zinc/29/81/81/501298181.db2.gz YMIDOLTUOPHBRP-NRFANRHFSA-N 2 0 369.553 3.388 20 0 FGADRP CCn1ccnc1[C@H](C)NC(=O)N1CCC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000455477655 501313593 /nfs/dbraw/zinc/31/35/93/501313593.db2.gz UMKKZXUZJVIRAE-MSOLQXFVSA-N 2 0 369.513 3.270 20 0 FGADRP C[C@@H]1C[C@@H](NC(=O)N2CCC(CCC[NH+]3CCCC3)CC2)c2nccn21 ZINC000455484923 501315588 /nfs/dbraw/zinc/31/55/88/501315588.db2.gz NJURBNQCQFHVKW-SJLPKXTDSA-N 2 0 359.518 3.187 20 0 FGADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+][C@@H]1CCc2nc(-c3ccc(F)cc3F)cn2C1 ZINC000453380064 501322363 /nfs/dbraw/zinc/32/23/63/501322363.db2.gz ZMDUYSGSQBWCDU-NPNMTCQASA-N 2 0 374.479 3.461 20 0 FGADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+][C@@H]2C[C@H]3CCCCN3C2=O)CC1 ZINC000453428931 501330285 /nfs/dbraw/zinc/33/02/85/501330285.db2.gz IAOSQTJILXFPPW-TZWRJOPASA-N 2 0 355.526 3.173 20 0 FGADRP CCCC[N@H+](CCCN1CC[NH+](C(C)C)CC1)[C@@H]1CCCC[C@H]1OC ZINC000451654338 501345318 /nfs/dbraw/zinc/34/53/18/501345318.db2.gz VAGVQKMKVGOWLN-NHCUHLMSSA-N 2 0 353.595 3.462 20 0 FGADRP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCCCC[NH+](C)C1CC1 ZINC000455607634 501345951 /nfs/dbraw/zinc/34/59/51/501345951.db2.gz JCJOVYKSEJYXHM-FQEVSTJZSA-N 2 0 372.557 3.024 20 0 FGADRP Cc1ccc([C@@H](CNC(=O)NCCCC[N@@H+](C)C2CC2)[NH+]2CCCC2)cc1 ZINC000455610420 501346572 /nfs/dbraw/zinc/34/65/72/501346572.db2.gz KZNSYTOLWNANOV-OAQYLSRUSA-N 2 0 372.557 3.306 20 0 FGADRP C[N@H+](CCCC[NH2+]Cc1cc(Br)c2c(c1)OCCO2)C1CC1 ZINC000453604329 501359556 /nfs/dbraw/zinc/35/95/56/501359556.db2.gz ZFOFSMQCADLDIM-UHFFFAOYSA-N 2 0 369.303 3.184 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)N1CCC[N@H+](C)CC1)c1ccccc1Cl ZINC000611664392 506248851 /nfs/dbraw/zinc/24/88/51/506248851.db2.gz GSZXFHLIJYGLEP-SFHVURJKSA-N 2 0 366.937 3.070 20 0 FGADRP CN(C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000455871708 501403929 /nfs/dbraw/zinc/40/39/29/501403929.db2.gz YKHCEOQUMOXZPG-WMWLNJEOSA-N 2 0 356.514 3.324 20 0 FGADRP CCc1ccc([C@@H](CNC(=O)N2CCC[C@H]([NH+]3CCCC3)C2)[NH+](C)C)cc1 ZINC000611671554 506251672 /nfs/dbraw/zinc/25/16/72/506251672.db2.gz XIRPXHONDKWJSA-LEWJYISDSA-N 2 0 372.557 3.122 20 0 FGADRP CCC[NH+]1CCC(CNC(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)CC1 ZINC000455945560 501422384 /nfs/dbraw/zinc/42/23/84/501422384.db2.gz WJHDIQLBYMEUMO-HXUWFJFHSA-N 2 0 358.530 3.479 20 0 FGADRP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)NC2CCC([NH+]3CCC(C)CC3)CC2)C1 ZINC000458578220 501479125 /nfs/dbraw/zinc/47/91/25/501479125.db2.gz QOFBQNVVICSSSY-SOAGJPPSSA-N 2 0 364.578 3.154 20 0 FGADRP CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)Cc1cncn1Cc1ccccc1 ZINC000452345174 501482524 /nfs/dbraw/zinc/48/25/24/501482524.db2.gz QEWSAGQEWRUZKZ-FQEVSTJZSA-N 2 0 368.525 3.101 20 0 FGADRP C[NH+](C)CCOc1ccccc1C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000456287218 501488977 /nfs/dbraw/zinc/48/89/77/501488977.db2.gz VVHVDKFQPUEMHS-FQEVSTJZSA-N 2 0 367.493 3.428 20 0 FGADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)NC2CC[NH+](C3CCC3)CC2)C1 ZINC000454367184 501524444 /nfs/dbraw/zinc/52/44/44/501524444.db2.gz NSAWSBYMKDYSNU-PXNSSMCTSA-N 2 0 370.541 3.138 20 0 FGADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)NC2CC[NH+](C3CCC3)CC2)C1 ZINC000454367180 501524630 /nfs/dbraw/zinc/52/46/30/501524630.db2.gz NSAWSBYMKDYSNU-FXAWDEMLSA-N 2 0 370.541 3.138 20 0 FGADRP Cc1ccccc1[C@H]([C@H](C)NC(=O)N1CC[C@@]2(C1)CCC[N@H+](C)C2)[NH+](C)C ZINC000458783439 501530691 /nfs/dbraw/zinc/53/06/91/501530691.db2.gz VDQUKLKJGNTXQL-VCOUNFBDSA-N 2 0 372.557 3.114 20 0 FGADRP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)NCC1([NH+](C)Cc2ccccc2)CCC1 ZINC000458981244 501570539 /nfs/dbraw/zinc/57/05/39/501570539.db2.gz TVOYEKFNXKUXSO-QUCCMNQESA-N 2 0 372.557 3.023 20 0 FGADRP CC(C)(C)CC(C)(C)[NH+]1CCN(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000454619037 501593996 /nfs/dbraw/zinc/59/39/96/501593996.db2.gz ZXCOHTMTCXUKPV-KRWDZBQOSA-N 2 0 364.578 3.013 20 0 FGADRP C[N@H+](Cc1ccccc1)C1(CNC(=O)NCCC2CC[NH+](C)CC2)CCC1 ZINC000454632948 501597260 /nfs/dbraw/zinc/59/72/60/501597260.db2.gz AUJPVELKFLRIPA-UHFFFAOYSA-N 2 0 372.557 3.072 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)NCC[C@H]2CCC[NH+](C)C2)C1 ZINC000459268540 501622259 /nfs/dbraw/zinc/62/22/59/501622259.db2.gz SENRKRZTBPPHQJ-AQNXPRMDSA-N 2 0 364.578 3.014 20 0 FGADRP CCn1ccnc1[C@H](C)NC(=O)N[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000454761390 501624247 /nfs/dbraw/zinc/62/42/47/501624247.db2.gz FANDPGNPKGASLV-LNLFQRSKSA-N 2 0 369.513 3.174 20 0 FGADRP CC[NH+](CC)CCCC1CCN(C(=O)NCC[C@H]2CCC[N@H+](C)C2)CC1 ZINC000459306508 501628192 /nfs/dbraw/zinc/62/81/92/501628192.db2.gz LXORQPSETXWEIL-HXUWFJFHSA-N 2 0 366.594 3.262 20 0 FGADRP C[NH+](C)CCN(Cc1ccsc1)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000459347924 501636724 /nfs/dbraw/zinc/63/67/24/501636724.db2.gz MPNPIUDQTHMVEQ-UHFFFAOYSA-N 2 0 360.527 3.405 20 0 FGADRP CC[C@@H](C[NH2+]C1CCN(c2cc[nH+]cc2)CC1)N1CCc2ccccc2C1 ZINC000459380971 501642837 /nfs/dbraw/zinc/64/28/37/501642837.db2.gz CKAKZZYXNIYYNP-QFIPXVFZSA-N 3 0 364.537 3.477 20 0 FGADRP CCO[C@@H]1C[C@H]([NH2+]C2CCN(CCOC)CC2)[C@H]1Sc1ccccc1 ZINC000459389084 501644649 /nfs/dbraw/zinc/64/46/49/501644649.db2.gz QGACLSONVHQMIR-XUVXKRRUSA-N 2 0 364.555 3.025 20 0 FGADRP Fc1cccc(F)c1N1CC[C@@H]([NH2+]C2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000459425200 501651789 /nfs/dbraw/zinc/65/17/89/501651789.db2.gz BBBLASVYUDAWIZ-MRXNPFEDSA-N 2 0 358.436 3.197 20 0 FGADRP OCC1(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)CC(c2ccccc2)C1 ZINC000459506032 501666111 /nfs/dbraw/zinc/66/61/11/501666111.db2.gz PCUGZSAPMPLHHD-UHFFFAOYSA-N 2 0 351.494 3.196 20 0 FGADRP COC(=O)c1cc2c(o1)c(OC)ccc2C[NH2+]C[C@H]1CCCC[N@H+](C)C1 ZINC000598993899 506266588 /nfs/dbraw/zinc/26/65/88/506266588.db2.gz DQKZMGLXMPIMFX-CQSZACIVSA-N 2 0 360.454 3.050 20 0 FGADRP CC(C)[NH+]1CCC(NC(=O)C[N@H+](C)[C@H]2CCC[C@@H]2c2ccccc2)CC1 ZINC000459678640 501697836 /nfs/dbraw/zinc/69/78/36/501697836.db2.gz RWQOOYXNWMQSDB-RTWAWAEBSA-N 2 0 357.542 3.244 20 0 FGADRP CN(c1ccccc1C[N@@H+]1CC2(CCC2)[C@@H]2COC[C@@H]21)C1CC[NH+](C)CC1 ZINC000459693713 501699831 /nfs/dbraw/zinc/69/98/31/501699831.db2.gz ZUHNKSJIECJOFB-IRLDBZIGSA-N 2 0 369.553 3.218 20 0 FGADRP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)C1 ZINC000457500243 501711712 /nfs/dbraw/zinc/71/17/12/501711712.db2.gz XHJXBWHNIDUNOL-IRXDYDNUSA-N 2 0 364.559 3.009 20 0 FGADRP COc1ccc(Cn2nc(C)c(C[NH2+]CC[C@@H]3CCC[N@H+](C)C3)c2C)cc1 ZINC000459800679 501715640 /nfs/dbraw/zinc/71/56/40/501715640.db2.gz ZXODGXLDRKZLIM-IBGZPJMESA-N 2 0 370.541 3.378 20 0 FGADRP CC[NH+](CC)Cc1ccccc1CNC(=O)N(C)[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000457538931 501718643 /nfs/dbraw/zinc/71/86/43/501718643.db2.gz XZYUEBWGOFMXJH-HXUWFJFHSA-N 2 0 360.546 3.153 20 0 FGADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)NC2CC([NH+]3CCCCC3)C2)C1 ZINC000474173303 501729786 /nfs/dbraw/zinc/72/97/86/501729786.db2.gz GAQPSSNATFZPNY-GUSVMJMASA-N 2 0 370.541 3.138 20 0 FGADRP CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C1(C[NH+](C)C)CCCCC1 ZINC000460124896 501732541 /nfs/dbraw/zinc/73/25/41/501732541.db2.gz NIBXTIFXCMGQHW-OAQYLSRUSA-N 2 0 371.569 3.479 20 0 FGADRP CC(C)[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCC[NH+](Cc3cccc(F)c3)C2)C1 ZINC000470672188 501761891 /nfs/dbraw/zinc/76/18/91/501761891.db2.gz BRADVQRYFWJSGI-QUCCMNQESA-N 2 0 361.505 3.027 20 0 FGADRP C[NH+](C)[C@H](CNC(=O)N1CC[NH+](C2CCCCC2)CC1)c1ccsc1 ZINC000485287372 501777841 /nfs/dbraw/zinc/77/78/41/501777841.db2.gz KOJXGQBVPHOHLL-GOSISDBHSA-N 2 0 364.559 3.011 20 0 FGADRP C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+]CCCC[N@@H+]1CCC[C@@H]1CO ZINC000467378232 501781213 /nfs/dbraw/zinc/78/12/13/501781213.db2.gz UJGXDGOBWAZJLG-CRAIPNDOSA-N 2 0 358.448 3.463 20 0 FGADRP Cc1ccccc1C[C@H](CO)[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000467384279 501783104 /nfs/dbraw/zinc/78/31/04/501783104.db2.gz WMMPVMWJZJFWGV-JLLPCOHGSA-N 2 0 364.533 3.399 20 0 FGADRP C[NH+](C)C1(CNC(=O)N2CC[C@@H](C[N@H+](C)CC3CC3)C2)CCCCCC1 ZINC000470747905 501790269 /nfs/dbraw/zinc/79/02/69/501790269.db2.gz UBVOXQFIECMIEC-IBGZPJMESA-N 2 0 364.578 3.014 20 0 FGADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](C[C@H](O)Cc2ccc3ccccc3c2)C1 ZINC000470757935 501792722 /nfs/dbraw/zinc/79/27/22/501792722.db2.gz VYTCZLSGHHEZMY-PKTZIBPZSA-N 2 0 370.537 3.176 20 0 FGADRP C[NH+](C)[C@@H](CNC(=O)C[NH+]1CCC(c2ccccc2)CC1)c1ccccc1 ZINC000460384646 501811612 /nfs/dbraw/zinc/81/16/12/501811612.db2.gz YBBCXFGRUUQHLM-QFIPXVFZSA-N 2 0 365.521 3.285 20 0 FGADRP CC(C)[C@H](C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)c1ccccc1 ZINC000474469809 501847239 /nfs/dbraw/zinc/84/72/39/501847239.db2.gz MQSUTWADMQWHDR-NRFANRHFSA-N 2 0 352.526 3.363 20 0 FGADRP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)c1nc(C(F)(F)F)cs1 ZINC000467743217 501858572 /nfs/dbraw/zinc/85/85/72/501858572.db2.gz JDWSYIJTIQSPSK-NWDGAFQWSA-N 2 0 351.438 3.049 20 0 FGADRP CC[C@H](C[N@H+](CC)CC(=O)NC1CC[NH+](C2CC2)CC1)c1ccccc1 ZINC000481733833 501867651 /nfs/dbraw/zinc/86/76/51/501867651.db2.gz JNXPLWZNEWXIBZ-GOSISDBHSA-N 2 0 357.542 3.245 20 0 FGADRP CC(C)n1nccc1C[NH2+]Cc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000474615207 501894601 /nfs/dbraw/zinc/89/46/01/501894601.db2.gz PNVWRLSAKPVWGQ-ROUUACIJSA-N 2 0 356.514 3.363 20 0 FGADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCC(=O)Nc2ccc(OC)c(Cl)c2)[C@H](C)C1 ZINC000485677630 501898635 /nfs/dbraw/zinc/89/86/35/501898635.db2.gz GFNBQKYECNNKIY-RHSMWYFYSA-N 2 0 367.921 3.339 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N1CC[C@@H]([NH+]2CCCC2)[C@H]1C)CC(C)C ZINC000478198943 501907279 /nfs/dbraw/zinc/90/72/79/501907279.db2.gz BIBITJHGELDGNJ-CEXWTWQISA-N 2 0 352.567 3.011 20 0 FGADRP CC(C)[C@H](C[NH2+][C@H](C)Cc1ccccc1C(F)(F)F)N1CC[NH+](C)CC1 ZINC000481920333 501919211 /nfs/dbraw/zinc/91/92/11/501919211.db2.gz UXTWXNHKXOZYOD-APWZRJJASA-N 2 0 371.491 3.498 20 0 FGADRP COc1ccc([C@@H](C)[C@H](C)[NH2+]CC2(O)CC[NH+](C(C)C)CC2)cc1OC ZINC000474792856 501953614 /nfs/dbraw/zinc/95/36/14/501953614.db2.gz BTFZASKDXHIZQQ-IRXDYDNUSA-N 2 0 364.530 3.021 20 0 FGADRP CC[C@]1(C)CCN(CC(=O)Nc2nc(CN3CCC(C)CC3)cs2)C1 ZINC000468135491 501968607 /nfs/dbraw/zinc/96/86/07/501968607.db2.gz CFGCBBJLIIABJN-LJQANCHMSA-N 2 0 364.559 3.436 20 0 FGADRP C[C@H]1C[C@H](NC(=O)NCC(C)(C)C[NH+]2CCCC2)C[N@@H+]1Cc1ccccc1 ZINC000478412568 501973943 /nfs/dbraw/zinc/97/39/43/501973943.db2.gz DHSNPPKJQDKBGP-ICSRJNTNSA-N 2 0 372.557 3.071 20 0 FGADRP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]CCC(=O)Nc1cc(N)ccc1F ZINC000482152684 501991079 /nfs/dbraw/zinc/99/10/79/501991079.db2.gz ACTQMKZUAQOGOO-CRAIPNDOSA-N 2 0 364.509 3.227 20 0 FGADRP C[NH+](C)CCN(Cc1ccccc1)C(=O)CC[N@@H+]1CCc2ccccc2C1 ZINC000471391444 502008804 /nfs/dbraw/zinc/00/88/04/502008804.db2.gz JXQHXMPIDLYNCK-UHFFFAOYSA-N 2 0 365.521 3.025 20 0 FGADRP CN(C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475018680 502022850 /nfs/dbraw/zinc/02/28/50/502022850.db2.gz RZBNMILXEVHMIG-LJQANCHMSA-N 2 0 372.557 3.212 20 0 FGADRP C[C@H](CC[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1)OCc1ccccc1 ZINC000475056909 502039167 /nfs/dbraw/zinc/03/91/67/502039167.db2.gz ONYMAMSSAOEHSC-IFMALSPDSA-N 2 0 359.558 3.084 20 0 FGADRP COc1ccc2oc([C@@H](C)[NH2+]C[C@H](C)CN3CC[NH+](C)CC3)c(C)c2c1 ZINC000482436885 502067226 /nfs/dbraw/zinc/06/72/26/502067226.db2.gz JUJLMRLAJRVERK-DOTOQJQBSA-N 2 0 359.514 3.284 20 0 FGADRP Cc1cccc([C@@H](C)[NH2+]CCCC[NH+]2CCN(c3ncccn3)CC2)c1 ZINC000482449170 502070493 /nfs/dbraw/zinc/07/04/93/502070493.db2.gz PBAAFMDKHAFODD-LJQANCHMSA-N 2 0 353.514 3.038 20 0 FGADRP CC(C)C[NH+]1CCC(NC(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000475137124 502075507 /nfs/dbraw/zinc/07/55/07/502075507.db2.gz JTANWJWATUOMAC-OAQYLSRUSA-N 2 0 372.557 3.023 20 0 FGADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N1CC[C@@H]([NH+]2CCCC2)[C@H]1C ZINC000478829292 502098729 /nfs/dbraw/zinc/09/87/29/502098729.db2.gz JLPOQQXRUJOWHL-WIYYLYMNSA-N 2 0 372.557 3.295 20 0 FGADRP Cc1nc(Cc2ccccc2)sc1[C@@H](C)[NH2+]CC1CC[NH+](CCO)CC1 ZINC000482541151 502105609 /nfs/dbraw/zinc/10/56/09/502105609.db2.gz DWQPLWJOCYUJPR-MRXNPFEDSA-N 2 0 373.566 3.397 20 0 FGADRP Cc1nc(Cc2ccccc2)sc1[C@H](C)[NH2+]CC1CC[NH+](CCO)CC1 ZINC000482541150 502105783 /nfs/dbraw/zinc/10/57/83/502105783.db2.gz DWQPLWJOCYUJPR-INIZCTEOSA-N 2 0 373.566 3.397 20 0 FGADRP CC(C)[NH+]1CCC(O)(C[NH2+][C@@H](C)Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000468562233 502106975 /nfs/dbraw/zinc/10/69/75/502106975.db2.gz ZJIOQZPTJVGUDW-HNNXBMFYSA-N 2 0 358.448 3.461 20 0 FGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+][C@@H](COC)C(C)C)CC1 ZINC000482568753 502112836 /nfs/dbraw/zinc/11/28/36/502112836.db2.gz JCHGKPQWAAXYSF-APWZRJJASA-N 2 0 351.510 3.289 20 0 FGADRP CC[NH+](CC)[C@H](C(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1)c1ccccc1 ZINC000461436966 502113715 /nfs/dbraw/zinc/11/37/15/502113715.db2.gz FMRATRFEZGEEQU-FPOVZHCZSA-N 2 0 357.542 3.404 20 0 FGADRP CC(C)[NH+](CCCNC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)C1)C(C)C ZINC000475291234 502121460 /nfs/dbraw/zinc/12/14/60/502121460.db2.gz NLAUDUMKUGOFLB-NRFANRHFSA-N 2 0 374.573 3.411 20 0 FGADRP CC[NH+]1CCC(NC(=O)C[N@H+](C)[C@H](C)[C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000464871587 502131593 /nfs/dbraw/zinc/13/15/93/502131593.db2.gz HOWKIUUXGYFRCP-HZPDHXFCSA-N 2 0 365.949 3.364 20 0 FGADRP CC[C@@H](CSc1ccc(Cl)cc1)[NH2+]CCCN1CCC[C@H]1C(N)=O ZINC000482634883 502133901 /nfs/dbraw/zinc/13/39/01/502133901.db2.gz JQUMKMPFUAZPIL-RDJZCZTQSA-N 2 0 369.962 3.140 20 0 FGADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+]CCCN2CCCCC2=O)CC1 ZINC000582562548 506295641 /nfs/dbraw/zinc/29/56/41/506295641.db2.gz FKEBHJKRGVZEIY-UHFFFAOYSA-N 2 0 357.542 3.422 20 0 FGADRP C[C@H]([NH2+]Cc1ccc([S@](C)=O)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000486557885 502190361 /nfs/dbraw/zinc/19/03/61/502190361.db2.gz AAUVKPMNHLEJIA-SZUKKWSHSA-N 2 0 356.535 3.424 20 0 FGADRP C[C@@H]1C[C@H](NC(=O)[C@@H](C[NH3+])c2ccc(F)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000479207208 502192899 /nfs/dbraw/zinc/19/28/99/502192899.db2.gz IQYPZPDEMRRHKF-HBGVWJBISA-N 2 0 369.484 3.037 20 0 FGADRP CC(C)CC[N@@H+]1Cc2cccc(NC(=O)c3csc(CC[NH3+])n3)c2C1 ZINC000479220392 502196704 /nfs/dbraw/zinc/19/67/04/502196704.db2.gz HKFYEKLTRXMIJN-UHFFFAOYSA-N 2 0 358.511 3.258 20 0 FGADRP CCCC[N@H+](C)C[C@H](C)NC(=O)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000461791492 502203295 /nfs/dbraw/zinc/20/32/95/502203295.db2.gz NXSNHASTBNBNCU-VQTJNVASSA-N 2 0 366.594 3.260 20 0 FGADRP C[C@H](C[NH2+][C@@H](C)CCCCN1C(=O)c2ccccc2C1=O)C[NH+]1CCCC1 ZINC000472143877 502246732 /nfs/dbraw/zinc/24/67/32/502246732.db2.gz IZZOOBUJCKMWKY-MSOLQXFVSA-N 2 0 371.525 3.163 20 0 FGADRP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000479472038 502269333 /nfs/dbraw/zinc/26/93/33/502269333.db2.gz GNOQDHNRFXHHCX-MRXNPFEDSA-N 2 0 352.482 3.049 20 0 FGADRP C[C@@H](CC[NH+](C)C)NC(=O)N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000479502589 502278289 /nfs/dbraw/zinc/27/82/89/502278289.db2.gz PQXKYSBNQDZEIN-ROUUACIJSA-N 2 0 352.567 3.013 20 0 FGADRP C[C@@H]1C[C@H](NC(=O)N2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)CC[NH+]1C ZINC000479537707 502289333 /nfs/dbraw/zinc/28/93/33/502289333.db2.gz OHAIULJYAAXFIP-NLWGTHIKSA-N 2 0 364.578 3.155 20 0 FGADRP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)NC(C)(C)CC[NH+]2CCCCCC2)C1 ZINC000483152264 502294193 /nfs/dbraw/zinc/29/41/93/502294193.db2.gz RLZUMKYRBGYVCJ-QZTJIDSGSA-N 2 0 352.567 3.203 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCCC1CCCCC1 ZINC000465542214 502299400 /nfs/dbraw/zinc/29/94/00/502299400.db2.gz LDXRVKNGWYTEOE-IBGZPJMESA-N 2 0 352.567 3.014 20 0 FGADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)NC[C@@H](C(CC)CC)[NH+]2CCCC2)C1 ZINC000465563012 502308094 /nfs/dbraw/zinc/30/80/94/502308094.db2.gz FKDGWVPIXKQMRA-ICSRJNTNSA-N 2 0 366.594 3.260 20 0 FGADRP CCN(CCC[NH+]1CCCC1)C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000472331459 502319255 /nfs/dbraw/zinc/31/92/55/502319255.db2.gz XZMUXHUUDKFDKN-OAQYLSRUSA-N 2 0 372.557 3.026 20 0 FGADRP CC[NH+]1CCN(Cc2ccc(C[NH2+]C/C=C/c3ccncc3)cc2)CC1 ZINC000486967067 502319363 /nfs/dbraw/zinc/31/93/63/502319363.db2.gz MLNWCRSAOPULHE-ONEGZZNKSA-N 2 0 350.510 3.022 20 0 FGADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)NCC2([NH+](C)C)CCCCCC2)C1 ZINC000465621434 502328023 /nfs/dbraw/zinc/32/80/23/502328023.db2.gz AIIKUWVZKCITNI-GOSISDBHSA-N 2 0 352.567 3.014 20 0 FGADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@H](C)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000487006376 502329663 /nfs/dbraw/zinc/32/96/63/502329663.db2.gz NFRMUWDOEQPCRT-HMXCVIKNSA-N 2 0 372.557 3.071 20 0 FGADRP COc1ccc([C@H](CNC(=O)C[N@@H+]2CCCC2(C)C)[NH+]2CCCCC2)cc1 ZINC000479659422 502334243 /nfs/dbraw/zinc/33/42/43/502334243.db2.gz ALIXDDRXQZCFPB-FQEVSTJZSA-N 2 0 373.541 3.213 20 0 FGADRP CCC(C)(C)[NH2+][C@H](C)C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000475933136 502337200 /nfs/dbraw/zinc/33/72/00/502337200.db2.gz ZALGWARUWVITAB-MRXNPFEDSA-N 2 0 363.571 3.383 20 0 FGADRP C[C@@H]1CCC[C@@](CNC(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)([NH+](C)C)C1 ZINC000465727646 502360711 /nfs/dbraw/zinc/36/07/11/502360711.db2.gz QYFHAQJVRVZQOQ-WSTZPKSXSA-N 2 0 352.567 3.013 20 0 FGADRP Cc1ccccc1[C@H]([C@H](C)NC(=O)N[C@H](C)C[NH+]1CCCCC1)[NH+](C)C ZINC000479790068 502378626 /nfs/dbraw/zinc/37/86/26/502378626.db2.gz QRZMWPFVTFSSQM-HBFSDRIKSA-N 2 0 360.546 3.160 20 0 FGADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000469367180 502389438 /nfs/dbraw/zinc/38/94/38/502389438.db2.gz KDEMDXBXZUGKJU-OALUTQOASA-N 2 0 357.542 3.230 20 0 FGADRP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCN(c3cccc(Br)c3)C2)[C@H](C)C1 ZINC000483433405 502390899 /nfs/dbraw/zinc/39/08/99/502390899.db2.gz MSEZSIREMDLNAF-KYJSFNMBSA-N 2 0 366.347 3.348 20 0 FGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]C[C@@H]2CCSC2)CC1 ZINC000487297116 502411152 /nfs/dbraw/zinc/41/11/52/502411152.db2.gz HMUZSWFLNZDBGM-CVEARBPZSA-N 2 0 351.535 3.371 20 0 FGADRP CC[NH+](CC)[C@H]1CCN(C(=O)NC[C@@H]2CCC[N@@H+]2CC2CCCCC2)C1 ZINC000465878331 502412057 /nfs/dbraw/zinc/41/20/57/502412057.db2.gz SFGZNPMHBYGXHD-PMACEKPBSA-N 2 0 364.578 3.157 20 0 FGADRP CC1CC[NH+](Cc2cccc(CNC(=O)N[C@@H]3CC[N@H+](C)[C@@H](C)C3)c2)CC1 ZINC000465929282 502430804 /nfs/dbraw/zinc/43/08/04/502430804.db2.gz DUZMLTSHIIKTIV-GHTZIAJQSA-N 2 0 372.557 3.200 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@H](C)Oc2ccccc2F)[C@@H](C)C1 ZINC000483617978 502444222 /nfs/dbraw/zinc/44/42/22/502444222.db2.gz SMMULFBDLJROEI-LNLFQRSKSA-N 2 0 352.494 3.320 20 0 FGADRP C[NH+](C)Cc1ccccc1C(=O)N1CCC(c2ncc3n2CCCC3)CC1 ZINC000487464691 502451279 /nfs/dbraw/zinc/45/12/79/502451279.db2.gz AYWVOWJCUQSFLJ-UHFFFAOYSA-N 2 0 366.509 3.301 20 0 FGADRP CCC[C@H]([NH2+]C(C)C)C(=O)N1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC000483698688 502467967 /nfs/dbraw/zinc/46/79/67/502467967.db2.gz PAABYPPERWTEFO-NRFANRHFSA-N 2 0 357.542 3.202 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H]1C[C@H]1C1CCCCC1 ZINC000466084919 502474567 /nfs/dbraw/zinc/47/45/67/502474567.db2.gz LNACSDLPCDFPOY-AABGKKOBSA-N 2 0 364.578 3.013 20 0 FGADRP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N(C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000462527418 502475837 /nfs/dbraw/zinc/47/58/37/502475837.db2.gz RKNIZDIFIGXRKI-SFHLNBCPSA-N 2 0 374.573 3.410 20 0 FGADRP CCC[NH+]1CCC(NC(=O)N(CCCc2ccccc2)CC[NH+](C)C)CC1 ZINC000466100865 502478791 /nfs/dbraw/zinc/47/87/91/502478791.db2.gz NBPJYRHDEPQUEN-UHFFFAOYSA-N 2 0 374.573 3.067 20 0 FGADRP CCC[N@H+](CC)CCNC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000473180594 502537549 /nfs/dbraw/zinc/53/75/49/502537549.db2.gz DHLTTWPKCFVSPP-LJQANCHMSA-N 2 0 352.567 3.016 20 0 FGADRP CCC[N@H+](CC)C[C@@H](C)NC(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000462713233 502545195 /nfs/dbraw/zinc/54/51/95/502545195.db2.gz ZPHGNEBLGXMMNY-UXHICEINSA-N 2 0 366.594 3.260 20 0 FGADRP C[C@H]1CN(C(=O)NCCC[NH+](C)C2CCCCC2)CC[N@@H+](C2CCC2)C1 ZINC000487857354 502548102 /nfs/dbraw/zinc/54/81/02/502548102.db2.gz JTNNAVYBKJSOBT-GOSISDBHSA-N 2 0 364.578 3.157 20 0 FGADRP Cc1cc(Cl)cc(C)c1C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000469865750 502575284 /nfs/dbraw/zinc/57/52/84/502575284.db2.gz YZCIZYNBHKKHID-APWZRJJASA-N 2 0 363.933 3.037 20 0 FGADRP [NH3+][C@@H]1CC[C@@H]2CN(Cc3ccc(OC(F)F)c(Br)c3)C[C@H]12 ZINC000469872122 502576956 /nfs/dbraw/zinc/57/69/56/502576956.db2.gz NWXXWPRNBUYBHX-NTZNESFSSA-N 2 0 361.230 3.220 20 0 FGADRP CCC(C)(C)[NH2+][C@H](C)C(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000476762190 502580705 /nfs/dbraw/zinc/58/07/05/502580705.db2.gz MURFWNCJQFCKCA-VYDXJSESSA-N 2 0 351.560 3.414 20 0 FGADRP CC[NH+]1CCN(c2ccccc2C[NH2+]C[C@@]2(C)CCO[C@@H]2C2CC2)CC1 ZINC000466475416 502580939 /nfs/dbraw/zinc/58/09/39/502580939.db2.gz SYRASJGXHHGEBQ-FGZHOGPDSA-N 2 0 357.542 3.123 20 0 FGADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](C)CC(C)(C)c1c[nH]c2ccccc21 ZINC000462807229 502582669 /nfs/dbraw/zinc/58/26/69/502582669.db2.gz ZHEMXJXTFYAMSX-ZWKOTPCHSA-N 2 0 356.558 3.450 20 0 FGADRP CN1CCC([NH+]2CCC(CC[N@H+](C)C[C@@H]3CCC(C)(C)O3)CC2)CC1 ZINC000480576162 502608744 /nfs/dbraw/zinc/60/87/44/502608744.db2.gz GCDGINREFALLGC-FQEVSTJZSA-N 2 0 351.579 3.072 20 0 FGADRP Cc1nc([C@H](C)[NH2+]CCCN2CC[N@H+](C)C[C@H]2c2ccccc2)cs1 ZINC000462885926 502614435 /nfs/dbraw/zinc/61/44/35/502614435.db2.gz WMYPLEPCJCTOLU-JXFKEZNVSA-N 2 0 358.555 3.481 20 0 FGADRP CCNC(=O)c1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000480600045 502616730 /nfs/dbraw/zinc/61/67/30/502616730.db2.gz HJBAYSZDQMAIQN-GCJKJVERSA-N 2 0 365.521 3.437 20 0 FGADRP C[C@@H]([NH2+]Cc1cccc(C[NH+](C)C)c1)[C@H](c1ccccc1)N1CCOCC1 ZINC000480621140 502623465 /nfs/dbraw/zinc/62/34/65/502623465.db2.gz IYKCGHWKXRXXGC-AUSIDOKSSA-N 2 0 367.537 3.300 20 0 FGADRP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1)c1cccc(NS(C)(=O)=O)c1 ZINC000480632141 502628666 /nfs/dbraw/zinc/62/86/66/502628666.db2.gz RINGXAQFOCGTPC-IAGOWNOFSA-N 2 0 367.559 3.221 20 0 FGADRP C[C@H](CNC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H]1C)C[NH+]1CCCCC1 ZINC000484374616 502634373 /nfs/dbraw/zinc/63/43/73/502634373.db2.gz REWGAKFWLLUJOT-SVFBPWRDSA-N 2 0 372.557 3.071 20 0 FGADRP C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)[NH+]1CCc2ccccc2C1 ZINC000480716645 502651369 /nfs/dbraw/zinc/65/13/69/502651369.db2.gz YODRUCXMSFORDZ-WIYYLYMNSA-N 2 0 369.553 3.204 20 0 FGADRP CC1CC[NH+](CC(=O)N2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)CC1 ZINC000477060795 502665597 /nfs/dbraw/zinc/66/55/97/502665597.db2.gz UUWGOZUERDOZNZ-UHFFFAOYSA-N 2 0 369.553 3.233 20 0 FGADRP CO[C@H](C)[C@H](C)[NH2+]CCCN1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000480818854 502678765 /nfs/dbraw/zinc/67/87/65/502678765.db2.gz GNHBPRJYKIRZNQ-JKSUJKDBSA-N 2 0 373.463 3.231 20 0 FGADRP CCC[N@H+](CC)C[C@H](C)NC(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000463063908 502681216 /nfs/dbraw/zinc/68/12/16/502681216.db2.gz FUMIIVZXIJKYNJ-IBGZPJMESA-N 2 0 374.573 3.413 20 0 FGADRP CCC[N@H+](CC)CCNC(=O)NC1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000473736354 502691682 /nfs/dbraw/zinc/69/16/82/502691682.db2.gz AKROZPLHTNTGGY-OALUTQOASA-N 2 0 374.573 3.174 20 0 FGADRP CC[NH+](CC)CC1CC[NH+]([C@@H](C)C(=O)NC[C@H](C)c2ccccc2)CC1 ZINC000488355266 502691880 /nfs/dbraw/zinc/69/18/80/502691880.db2.gz ABKUEFCQVOZRTD-OALUTQOASA-N 2 0 359.558 3.349 20 0 FGADRP C[C@@H](NC(=O)NC[C@@H](C1CC1)[N@H+](C)Cc1ccccc1)C(C)(C)C[NH+](C)C ZINC000477183989 502702248 /nfs/dbraw/zinc/70/22/48/502702248.db2.gz BMUCCOITPPDLEI-XLIONFOSSA-N 2 0 374.573 3.173 20 0 FGADRP C[NH+]1CCC(C[NH2+][C@H]2CS[C@@H](C(C)(C)C)C2)(N2CCCCC2)CC1 ZINC000488418704 502709019 /nfs/dbraw/zinc/70/90/19/502709019.db2.gz FVMZDDZFEZYXMT-QZTJIDSGSA-N 2 0 353.620 3.447 20 0 FGADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)N2CC[C@@H]([NH+]3CCCC3)[C@H]2C)C1 ZINC000484719710 502719535 /nfs/dbraw/zinc/71/95/35/502719535.db2.gz OVRKZYOSAZUZNH-RMVXJAJNSA-N 2 0 370.541 3.090 20 0 FGADRP C[C@@H](NC(=O)[C@H](C)[NH+]1CCC(C[NH+](C)C)CC1)c1cc2ccccc2o1 ZINC000481068272 502746800 /nfs/dbraw/zinc/74/68/00/502746800.db2.gz CIIDNZZVOGSKPY-CVEARBPZSA-N 2 0 357.498 3.272 20 0 FGADRP CCC[NH+](CCC)CCCNC(=O)N1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC000488597470 502761886 /nfs/dbraw/zinc/76/18/86/502761886.db2.gz PEQHHWFSCWSIHG-GOSISDBHSA-N 2 0 352.567 3.014 20 0 FGADRP CC[N@H+](Cc1ccccc1)[C@@H](C)C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000485044567 502808755 /nfs/dbraw/zinc/80/87/55/502808755.db2.gz VVKODCBJHZQRFY-UGKGYDQZSA-N 2 0 365.521 3.288 20 0 FGADRP CC[C@H](C)[NH2+][C@@H](CNC(=O)NCC[N@H+]1[C@H](C)CCC[C@@H]1C)c1ccco1 ZINC000495455175 502841911 /nfs/dbraw/zinc/84/19/11/502841911.db2.gz NEMPNGZZZJSLLJ-FJIDUMEYSA-N 2 0 364.534 3.271 20 0 FGADRP C[C@@H](CNC(=O)N1CCC(CCC[NH+](C)C)CC1)[N@@H+]1CCCC[C@H]1C ZINC000500816106 502869660 /nfs/dbraw/zinc/86/96/60/502869660.db2.gz WWPBHHHVMJINHL-MSOLQXFVSA-N 2 0 352.567 3.013 20 0 FGADRP COC1CC[NH+](C2(CNC3CC[NH+](C(C)(C)C)CC3)CCCC2)CC1 ZINC000513203467 502877040 /nfs/dbraw/zinc/87/70/40/502877040.db2.gz DMJMBHJFMNEADB-UHFFFAOYSA-N 2 0 351.579 3.263 20 0 FGADRP CC[NH+](CC)CCNC(=O)NCc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000500877776 502884442 /nfs/dbraw/zinc/88/44/42/502884442.db2.gz XHVKPZGBYAYCGW-KDURUIRLSA-N 2 0 374.573 3.306 20 0 FGADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)NCCCC[NH+]1CCC[C@@H](C)C1 ZINC000501049076 502922293 /nfs/dbraw/zinc/92/22/93/502922293.db2.gz SNYHABJVRWEEKG-RTBURBONSA-N 2 0 352.567 3.062 20 0 FGADRP C[C@@H](C(=O)Nc1cccc(F)c1)[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501064873 502925747 /nfs/dbraw/zinc/92/57/47/502925747.db2.gz ZPVGXTLHSGAACT-INIZCTEOSA-N 2 0 370.472 3.396 20 0 FGADRP [NH3+][C@H](C(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2)c1ccccc1 ZINC000497330721 502933006 /nfs/dbraw/zinc/93/30/06/502933006.db2.gz CNJQCZDAUPJECD-JTHBVZDNSA-N 2 0 363.505 3.201 20 0 FGADRP COc1ccccc1CCC[NH+]1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000505555133 502935151 /nfs/dbraw/zinc/93/51/51/502935151.db2.gz IKCYOUJIOCEXRF-OALUTQOASA-N 2 0 360.542 3.449 20 0 FGADRP C[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCCCN3Cc3ccc(F)cc3)C2)C1 ZINC000505602039 502946678 /nfs/dbraw/zinc/94/66/78/502946678.db2.gz JYTBGJPPUJEAEV-RBBKRZOGSA-N 2 0 373.516 3.125 20 0 FGADRP CC(C)[C@@H](CNC(=O)N1CCC[C@@H]([NH+]2CCCC2)C1)[NH+]1CCC(C)CC1 ZINC000501150607 502949278 /nfs/dbraw/zinc/94/92/78/502949278.db2.gz NGWOWITWSVIKQN-WOJBJXKFSA-N 2 0 364.578 3.013 20 0 FGADRP C[C@@H]1C[C@@H](CC[NH2+]Cc2ccc(C(=O)N(C)C)[nH]2)C[N@@H+]1Cc1ccccc1 ZINC000513493904 502952628 /nfs/dbraw/zinc/95/26/28/502952628.db2.gz DLPZZRGLMZTVIQ-IEBWSBKVSA-N 2 0 368.525 3.107 20 0 FGADRP CCC[N@@H+]1CCC[C@H]1CNC(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000497440480 502960953 /nfs/dbraw/zinc/96/09/53/502960953.db2.gz KVLIHLWYGWGEER-HKUYNNGSSA-N 2 0 360.546 3.289 20 0 FGADRP CCc1nc(CC[NH2+][C@@H]2CCCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)no1 ZINC000513655145 502991904 /nfs/dbraw/zinc/99/19/04/502991904.db2.gz LKWUJWDCUDYCKY-VAMGGRTRSA-N 2 0 368.525 3.455 20 0 FGADRP CCCc1cc(C(=O)N(CC[NH+](C)C)C[C@@H]2CCC[N@@H+]2CC)sc1C ZINC000505822916 502993432 /nfs/dbraw/zinc/99/34/32/502993432.db2.gz DMIWJFKHYPIYQJ-SFHVURJKSA-N 2 0 365.587 3.497 20 0 FGADRP CC[NH+](CC)Cc1ccccc1CNC(=O)NCC[NH+]1CCC(C)CC1 ZINC000501499606 503021397 /nfs/dbraw/zinc/02/13/97/503021397.db2.gz GBHBOZYBKIZDHT-UHFFFAOYSA-N 2 0 360.546 3.060 20 0 FGADRP CC[NH+](CC)Cc1ccc(CNC(=O)NCC[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000501524359 503028313 /nfs/dbraw/zinc/02/83/13/503028313.db2.gz RCQQCZPGIWRHLJ-SFHVURJKSA-N 2 0 360.546 3.202 20 0 FGADRP C[C@@H]1CCC[N@H+](CCNC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000501547737 503034680 /nfs/dbraw/zinc/03/46/80/503034680.db2.gz CXBHGJUXJMSPAY-LJQANCHMSA-N 2 0 372.557 3.204 20 0 FGADRP CC[NH+](CC)CC1CCN(C(=O)NC[C@@H](C)[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000501550417 503035581 /nfs/dbraw/zinc/03/55/81/503035581.db2.gz KPQHIDYMQMMJFM-ZWKOTPCHSA-N 2 0 352.567 3.013 20 0 FGADRP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@@H+](C)C2(C)CCCC2)CC1 ZINC000489856648 503049307 /nfs/dbraw/zinc/04/93/07/503049307.db2.gz KNWRLGBRWAUYHT-UHFFFAOYSA-N 2 0 357.542 3.294 20 0 FGADRP CC[C@H](C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1)[NH+](C)C ZINC000513922742 503049949 /nfs/dbraw/zinc/04/99/49/503049949.db2.gz VGXRBKQPOIYRES-BHDDXSALSA-N 2 0 365.521 3.111 20 0 FGADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)NCCC[NH+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000501773845 503077635 /nfs/dbraw/zinc/07/76/35/503077635.db2.gz DYCKLMGJGKLTKE-AQNXPRMDSA-N 2 0 366.594 3.166 20 0 FGADRP Cc1nn(Cc2ccc(C)cc2)c(C)c1CN1CCC[C@]2(CC[NH2+]C2)C1 ZINC000489986536 503082869 /nfs/dbraw/zinc/08/28/69/503082869.db2.gz FJHGSOMKVKJNCY-JOCHJYFZSA-N 2 0 352.526 3.432 20 0 FGADRP CC1CC[NH+](CCCCNC(=O)NCC[N@H+](C)C2CCCCC2)CC1 ZINC000514106952 503089896 /nfs/dbraw/zinc/08/98/96/503089896.db2.gz DLJOBYNOZNJPFU-UHFFFAOYSA-N 2 0 352.567 3.062 20 0 FGADRP CCCC[NH+]1CCC(NC(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000514118726 503092695 /nfs/dbraw/zinc/09/26/95/503092695.db2.gz MQAHKXVJLXMRKS-SFHVURJKSA-N 2 0 352.567 3.205 20 0 FGADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)N2CCCC23CC[NH+](C)CC3)C1 ZINC000510344550 503095835 /nfs/dbraw/zinc/09/58/35/503095835.db2.gz COARARJJRFQMCC-ICSRJNTNSA-N 2 0 370.541 3.092 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)N2CCCC23CC[NH+](C)CC3)C1 ZINC000510350291 503097108 /nfs/dbraw/zinc/09/71/08/503097108.db2.gz HYTOHNGJUADXHJ-HDICACEKSA-N 2 0 364.578 3.013 20 0 FGADRP CC(C)[NH+]1CCN(CCC[NH2+][C@H](C)c2nc(C(F)(F)F)cs2)CC1 ZINC000501868779 503097954 /nfs/dbraw/zinc/09/79/54/503097954.db2.gz FZUAFNWOXJKMOD-CYBMUJFWSA-N 2 0 364.481 3.229 20 0 FGADRP COc1cc(N[C@H]2CCC[N@H+](CC[C@@H]3CCCC[NH+]3C)C2)cc(OC)c1 ZINC000490067712 503103022 /nfs/dbraw/zinc/10/30/22/503103022.db2.gz PIHGZFBDOVNIPS-HKUYNNGSSA-N 2 0 361.530 3.455 20 0 FGADRP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000514222110 503116517 /nfs/dbraw/zinc/11/65/17/503116517.db2.gz MFXKUXWRZUVGEZ-KYHPRHEASA-N 2 0 366.575 3.016 20 0 FGADRP Cc1ccc([C@H](CNC(=O)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)[NH+](C)C)cc1 ZINC000514220106 503117068 /nfs/dbraw/zinc/11/70/68/503117068.db2.gz UWLHYURNDOOPCG-ZVDOUQERSA-N 2 0 374.573 3.265 20 0 FGADRP CC(C)(C)c1cccc(OCC[N@@H+]2CCC[C@H](CN3CCOCC3)C2)c1 ZINC000506453764 503117177 /nfs/dbraw/zinc/11/71/77/503117177.db2.gz IKDPZGCLXKDZGF-IBGZPJMESA-N 2 0 360.542 3.407 20 0 FGADRP CC[N@@H+]1C[C@H](C)N(C(=O)N[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)C[C@H]1C ZINC000498254655 503143390 /nfs/dbraw/zinc/14/33/90/503143390.db2.gz VYQWRKGTMYPQFK-WERVVEIQSA-N 2 0 372.557 3.164 20 0 FGADRP C[C@H](NC(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1)[C@H](c1ccccc1)[NH+](C)C ZINC000498270599 503147868 /nfs/dbraw/zinc/14/78/68/503147868.db2.gz AQSOZFNSULSHOR-DZFGPLHGSA-N 2 0 372.557 3.242 20 0 FGADRP CC[C@H](C)[NH2+][C@@H](CNC(=O)N[C@H](C)C[NH+]1CCCCCC1)c1ccco1 ZINC000502135363 503149058 /nfs/dbraw/zinc/14/90/58/503149058.db2.gz DPWHCLHFBVDTAO-KSZLIROESA-N 2 0 364.534 3.273 20 0 FGADRP CCn1c(C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)cc2ccccc21 ZINC000498331005 503159880 /nfs/dbraw/zinc/15/98/80/503159880.db2.gz YOEVXOROJCYKFV-UHFFFAOYSA-N 2 0 358.530 3.007 20 0 FGADRP C[C@@H]1CCc2nc(C[NH2+]CCCC[NH+]3C[C@H](C)O[C@@H](C)C3)sc2C1 ZINC000498351469 503164333 /nfs/dbraw/zinc/16/43/33/503164333.db2.gz CJDCDEPVXHROMT-PMPSAXMXSA-N 2 0 351.560 3.247 20 0 FGADRP CCCC[N@H+](C)CCNC(=O)N1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000506812342 503177202 /nfs/dbraw/zinc/17/72/02/503177202.db2.gz CIAXKBRZQFXYSV-RTBURBONSA-N 2 0 352.567 3.014 20 0 FGADRP Cc1ccccc1[C@@H]([C@H](C)NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)[NH+](C)C ZINC000498403649 503179887 /nfs/dbraw/zinc/17/98/87/503179887.db2.gz WFCOHJSGRBPFAP-XKYVRNMRSA-N 2 0 372.557 3.301 20 0 FGADRP CC[NH+]1CCC(CCNC(=O)N[C@@H](C)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000498418971 503183567 /nfs/dbraw/zinc/18/35/67/503183567.db2.gz AMJDBEOLIHXAJB-PXNSSMCTSA-N 2 0 360.546 3.099 20 0 FGADRP C[C@@H](NC(=O)[C@H](C)[NH+]1CCC(Cc2ccccc2)CC1)C1=CC[N@H+](C)CC1 ZINC000510741725 503183913 /nfs/dbraw/zinc/18/39/13/503183913.db2.gz PCALGJSEZURHBV-MOPGFXCFSA-N 2 0 369.553 3.096 20 0 FGADRP CCC[C@@H]([NH2+]C(C)C)C(=O)N1CCC[C@@H]([N@H+](C)Cc2ccccn2)CC1 ZINC000507090689 503228273 /nfs/dbraw/zinc/22/82/73/503228273.db2.gz VDLTYOKUNBODFZ-WOJBJXKFSA-N 2 0 360.546 3.061 20 0 FGADRP Cc1nccn1CCCC[NH2+]C[C@@H](O)CO[C@H]1CCCc2ccccc21 ZINC000514933072 503231069 /nfs/dbraw/zinc/23/10/69/503231069.db2.gz NOBXCCPFKUGFFA-CTNGQTDRSA-N 2 0 357.498 3.016 20 0 FGADRP CCC1(C)CC[NH+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000507181790 503244412 /nfs/dbraw/zinc/24/44/12/503244412.db2.gz LUJGKVQEAKUIOR-UHFFFAOYSA-N 2 0 357.542 3.411 20 0 FGADRP Brc1ccc(CN2CC[NH+](CC[C@@H]3CCC[NH2+]C3)CC2)s1 ZINC000515062317 503263313 /nfs/dbraw/zinc/26/33/13/503263313.db2.gz DQGDNDUFYJQFNC-AWEZNQCLSA-N 2 0 372.376 3.018 20 0 FGADRP CC[C@@H]([NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1)c1ccccc1F ZINC000491055422 503266413 /nfs/dbraw/zinc/26/64/13/503266413.db2.gz SNUBYRPRXTZCGJ-HXUWFJFHSA-N 2 0 371.504 3.259 20 0 FGADRP CC[NH+](CC)C[C@@H](C)NC(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000502811782 503279134 /nfs/dbraw/zinc/27/91/34/503279134.db2.gz CZBXUQCUNYINQM-GOSISDBHSA-N 2 0 360.546 3.023 20 0 FGADRP CCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000498898588 503286877 /nfs/dbraw/zinc/28/68/77/503286877.db2.gz COQQLIMUEWPXCF-TYPHKJRUSA-N 2 0 372.557 3.213 20 0 FGADRP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000502863657 503292344 /nfs/dbraw/zinc/29/23/44/503292344.db2.gz XWWDAPBLYVGIBQ-IBGZPJMESA-N 2 0 364.578 3.301 20 0 FGADRP C[C@@H]1CCCC[NH+]1CCCNC(=O)NCCCC[N@H+]1CCCC[C@@H]1C ZINC000502874156 503294939 /nfs/dbraw/zinc/29/49/39/503294939.db2.gz DTXXMXPMKNRBKM-RBUKOAKNSA-N 2 0 352.567 3.205 20 0 FGADRP Cc1cccc(NCC[NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)n1 ZINC000507464381 503303410 /nfs/dbraw/zinc/30/34/10/503303410.db2.gz XJSUNZIUIIRRQA-NJDAHSKKSA-N 2 0 350.510 3.302 20 0 FGADRP C[NH+]1CCN(c2cc[nH+]cc2NCc2cnc(-c3ccco3)s2)CC1 ZINC000515272031 503305559 /nfs/dbraw/zinc/30/55/59/503305559.db2.gz VXBFYMOBNLINMU-UHFFFAOYSA-N 2 0 355.467 3.162 20 0 FGADRP CCc1cccnc1[C@H](C)[NH2+]Cc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000507484369 503306679 /nfs/dbraw/zinc/30/66/79/503306679.db2.gz JGABZTOLXWWVRS-SFHVURJKSA-N 2 0 352.526 3.242 20 0 FGADRP CN(C)[C@@H](C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000515301584 503309797 /nfs/dbraw/zinc/30/97/97/503309797.db2.gz NFTTVHACOBNNCQ-NHCUHLMSSA-N 2 0 351.494 3.022 20 0 FGADRP CC[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12)[C@H](O)C(F)(F)F ZINC000507510237 503311274 /nfs/dbraw/zinc/31/12/74/503311274.db2.gz MRMQYPRPESFUJT-ICUGJSFKSA-N 2 0 356.432 3.188 20 0 FGADRP O=C(NCc1ccccc1C[NH+]1CCCCC1)N1CC[NH+](C2CCC2)CC1 ZINC000502959580 503315122 /nfs/dbraw/zinc/31/51/22/503315122.db2.gz LKJZNTXTNDZVDW-UHFFFAOYSA-N 2 0 370.541 3.052 20 0 FGADRP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(C[NH2+][C@H]3CCCC[C@H]3C3CC3)c2)C1 ZINC000507521985 503315182 /nfs/dbraw/zinc/31/51/82/503315182.db2.gz CKORTKHGYSMHGI-FSSWDIPSSA-N 2 0 369.553 3.442 20 0 FGADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@@H]2CN(c3ccccn3)C[C@H]2C)C1 ZINC000511771221 503384153 /nfs/dbraw/zinc/38/41/53/503384153.db2.gz KQKLCQCAJWJBKJ-GUDVDZBRSA-N 2 0 372.557 3.171 20 0 FGADRP Cc1ccc(C[N@@H+]2CCCN(C(=O)C[NH2+][C@H]3CCCC3(C)C)CC2)cc1 ZINC000492887363 503391284 /nfs/dbraw/zinc/39/12/84/503391284.db2.gz HFKMGWHHHRBZBD-FQEVSTJZSA-N 2 0 357.542 3.198 20 0 FGADRP O=[S@@](CC[N@@H+]1CCC[C@@H](c2ncc3n2CCCC3)C1)c1ccccc1 ZINC000503373569 503397144 /nfs/dbraw/zinc/39/71/44/503397144.db2.gz ILHNYFSOPLDGKN-NSYGIPOTSA-N 2 0 357.523 3.207 20 0 FGADRP C[C@@H]1CCC[C@@H](C[NH2+]Cc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)C1 ZINC000507948907 503402587 /nfs/dbraw/zinc/40/25/87/503402587.db2.gz DYDRIHFUHCTMDD-OPYAIIAOSA-N 2 0 357.542 3.300 20 0 FGADRP Cc1ccccc1[C@@H]([C@H](C)NC(=O)NC1CC([NH+]2CCCCC2)C1)[NH+](C)C ZINC000503431397 503407871 /nfs/dbraw/zinc/40/78/71/503407871.db2.gz QAYHIRXWRJKYAI-LANMQJKKSA-N 2 0 372.557 3.302 20 0 FGADRP Cc1ccccc1-c1cnc(C[NH+]2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)o1 ZINC000515851875 503412001 /nfs/dbraw/zinc/41/20/01/503412001.db2.gz KIXIPCGHMGUFEI-GHTZIAJQSA-N 2 0 355.482 3.368 20 0 FGADRP CCC[N@@H+]1CCC[C@H]1CNC(=O)N1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000511921439 503416781 /nfs/dbraw/zinc/41/67/81/503416781.db2.gz GUNXHDDRHJONMW-AQNXPRMDSA-N 2 0 364.578 3.157 20 0 FGADRP C[C@H](C[NH2+]C[C@H](O)CO[C@@H](C)c1ccc(Cl)cc1)C[NH+]1CCCCC1 ZINC000516048599 503436723 /nfs/dbraw/zinc/43/67/23/503436723.db2.gz JYXQYACBBZHAEI-UWVAXJGDSA-N 2 0 368.949 3.490 20 0 FGADRP CC(C)[N@H+](C)Cc1ccccc1C[NH2+]Cc1ccc2c(c1)oc(=O)n2C ZINC000512046114 503442347 /nfs/dbraw/zinc/44/23/47/503442347.db2.gz QMRDHKXXWFUGSA-UHFFFAOYSA-N 2 0 353.466 3.262 20 0 FGADRP C[C@@H]1CCC[C@@](CNC(=O)NC[C@H](c2cccs2)[NH+](C)C)([NH+](C)C)C1 ZINC000516154096 503456835 /nfs/dbraw/zinc/45/68/35/503456835.db2.gz WMEGGMUGZPZLAS-GPMSIDNRSA-N 2 0 366.575 3.161 20 0 FGADRP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H](C)[C@@H](OC)c3ccccc3)cn2)CC1 ZINC000493938446 503462537 /nfs/dbraw/zinc/46/25/37/503462537.db2.gz YSCSAZKLDXVWTH-PGRDOPGGSA-N 2 0 368.525 3.089 20 0 FGADRP C[C@H](C(=O)Nc1ccc(Br)cc1)N(C)CCC[NH+]1CCCC1 ZINC000499905845 503507634 /nfs/dbraw/zinc/50/76/34/503507634.db2.gz CUHUTMXSXVRSNU-CQSZACIVSA-N 2 0 368.319 3.194 20 0 FGADRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]CCc1c[nH]c2cccc(Br)c12 ZINC000516441928 503512561 /nfs/dbraw/zinc/51/25/61/503512561.db2.gz HGTAHUJECYYYJL-SWLSCSKDSA-N 2 0 350.304 3.403 20 0 FGADRP C[C@H](C(=O)N[C@@H](C)c1ccc2ccccc2c1)[NH+]1CCC(CC[NH3+])CC1 ZINC000516479703 503517439 /nfs/dbraw/zinc/51/74/39/503517439.db2.gz ULWYRZROQNWVCE-DLBZAZTESA-N 2 0 353.510 3.466 20 0 FGADRP C[C@H](Cc1ccc(O)cc1)[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000512350694 503526379 /nfs/dbraw/zinc/52/63/79/503526379.db2.gz TWDKOJWAIWDZAQ-DYESRHJHSA-N 2 0 354.494 3.070 20 0 FGADRP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NCC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000516562183 503537121 /nfs/dbraw/zinc/53/71/21/503537121.db2.gz DCVVQSCPJKSAEY-CRINZODVSA-N 2 0 368.569 3.035 20 0 FGADRP Cc1ccc(C(=O)NCC[NH2+][C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000508693735 503544202 /nfs/dbraw/zinc/54/42/02/503544202.db2.gz BJQXSLDCWAVDJZ-DENIHFKCSA-N 2 0 365.521 3.225 20 0 FGADRP C[C@H]1CCC[C@H]([NH+]2CCC([NH2+]Cc3ccccc3Cn3cncn3)CC2)C1 ZINC000508730733 503553016 /nfs/dbraw/zinc/55/30/16/503553016.db2.gz ROBVMPTVWDTTLW-AVRDEDQJSA-N 2 0 367.541 3.459 20 0 FGADRP CC[C@H](C)[NH2+][C@H](CNC(=O)NC1CCC(C[NH+](C)C)CC1)c1ccco1 ZINC000500097413 503553182 /nfs/dbraw/zinc/55/31/82/503553182.db2.gz JKBGGSVRPRZURN-FCCDEINASA-N 2 0 364.534 3.128 20 0 FGADRP CN1CCN(c2cc[nH+]cc2NC(=O)CCc2ccc(Cl)cc2)CC1 ZINC000516624245 503553668 /nfs/dbraw/zinc/55/36/68/503553668.db2.gz QGBCBQYMJLMVBG-UHFFFAOYSA-N 2 0 358.873 3.058 20 0 FGADRP Cc1ccccc1[C@@H]([C@H](C)NC(=O)NC1CCC(C[NH+](C)C)CC1)[NH+](C)C ZINC000500130642 503561653 /nfs/dbraw/zinc/56/16/53/503561653.db2.gz KSEYJUOXYLWTNU-LANMQJKKSA-N 2 0 374.573 3.406 20 0 FGADRP CC1(C)CC(NC(=O)NCc2cccc(C[NH+]3CCCC3)c2)CC(C)(C)[NH2+]1 ZINC000500158413 503567145 /nfs/dbraw/zinc/56/71/45/503567145.db2.gz IWGFLZDCTMEPSX-UHFFFAOYSA-N 2 0 372.557 3.391 20 0 FGADRP CC(C)[NH+](C)CC1CCN(C(=O)N[C@@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000516683460 503567928 /nfs/dbraw/zinc/56/79/28/503567928.db2.gz JHDCUKZYSAIJLO-OTWHNJEPSA-N 2 0 366.594 3.115 20 0 FGADRP Cc1ccccc1[C@H]([C@H](C)NC(=O)N(C)CC1([NH+](C)C)CCC1)[NH+](C)C ZINC000508842183 503575025 /nfs/dbraw/zinc/57/50/25/503575025.db2.gz BLCRKSJWDAHLIT-HKUYNNGSSA-N 2 0 360.546 3.112 20 0 FGADRP C[C@H](NC(=O)N(CC[NH+](C)C)C1CCCC1)[C@@H](c1ccccc1)[NH+](C)C ZINC000508856720 503578977 /nfs/dbraw/zinc/57/89/77/503578977.db2.gz WCYPJSXTWWZGLQ-PXNSSMCTSA-N 2 0 360.546 3.194 20 0 FGADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@H](C)[C@@H](c2ccccc2C)[NH+](C)C)C1 ZINC000508860220 503581012 /nfs/dbraw/zinc/58/10/12/503581012.db2.gz DGXRKUQQKOHUSR-DYXWJJEUSA-N 2 0 374.573 3.360 20 0 FGADRP CC(C)C[N@H+](C[C@H](O)[C@@H]([NH3+])Cc1ccccc1)[C@@H]1CCCc2cccnc21 ZINC000516770924 503583789 /nfs/dbraw/zinc/58/37/89/503583789.db2.gz UEFLFWCHFFEOMR-BDTNDASRSA-N 2 0 367.537 3.348 20 0 FGADRP C[C@@H]1C[C@H](CCNC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)C[NH+]1Cc1ccccc1 ZINC000512578286 503589050 /nfs/dbraw/zinc/58/90/50/503589050.db2.gz POJKTSWPOBQMFQ-HDAAZOAOSA-N 2 0 357.542 3.276 20 0 FGADRP Cc1ccccc1[C@H]([C@H](C)NC(=O)N(C)CCC[NH+]1CCCC1)[NH+](C)C ZINC000508893998 503592439 /nfs/dbraw/zinc/59/24/39/503592439.db2.gz JWKSCJPYMGOZEB-ICSRJNTNSA-N 2 0 360.546 3.114 20 0 FGADRP C[C@@H](NC(=O)N1CCC(CCC[NH+](C)C)CC1)[C@H](c1ccccc1)[NH+](C)C ZINC000508901424 503594773 /nfs/dbraw/zinc/59/47/73/503594773.db2.gz YQNARIJNNGBPDG-WIYYLYMNSA-N 2 0 374.573 3.441 20 0 FGADRP Cc1ccccc1[C@H]([C@H](C)NC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1)[NH+](C)C ZINC000508923805 503601451 /nfs/dbraw/zinc/60/14/51/503601451.db2.gz OLEOIPZWUMHFKC-YHELAOLJSA-N 2 0 372.557 3.112 20 0 FGADRP CCCOc1ccc(C[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cn1 ZINC000582719605 506383104 /nfs/dbraw/zinc/38/31/04/506383104.db2.gz MJBDTVQVKWFTLC-WIYYLYMNSA-N 2 0 353.466 3.216 20 0 FGADRP [NH3+]Cc1cn([C@@H]2CCCN(Cc3cnc(C4CCCCC4)s3)C2)nn1 ZINC000517093002 503665579 /nfs/dbraw/zinc/66/55/79/503665579.db2.gz NTXRKFBGYYCXAF-MRXNPFEDSA-N 2 0 360.531 3.078 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C/C=C\c1ccccc1F ZINC000495117933 503674102 /nfs/dbraw/zinc/67/41/02/503674102.db2.gz GTADMUMFTPUELV-KWEPMOPPSA-N 2 0 361.505 3.104 20 0 FGADRP O=C(NC[C@@H]1CC[N@@H+]1C1CCCCC1)c1cccc(C[NH+]2CCCC2)c1 ZINC000529717434 503676272 /nfs/dbraw/zinc/67/62/72/503676272.db2.gz GNCQHDWOBIUZNI-NRFANRHFSA-N 2 0 355.526 3.419 20 0 FGADRP CC[N@H+](CCC1CC1)[C@@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000546227774 503678666 /nfs/dbraw/zinc/67/86/66/503678666.db2.gz OXSCMWUAOPWSEL-SFHVURJKSA-N 2 0 357.542 3.278 20 0 FGADRP CC(C)[C@H]1CN(C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000529804387 503708236 /nfs/dbraw/zinc/70/82/36/503708236.db2.gz ONGOGJAQMXGBQP-SESVDKBCSA-N 2 0 357.542 3.086 20 0 FGADRP c1ccc([C@@H]([NH2+]CCCN2CCN(c3cc[nH+]cc3)CC2)C2CC2)cc1 ZINC000540303255 503732462 /nfs/dbraw/zinc/73/24/62/503732462.db2.gz YFCICEVXJYIOLU-JOCHJYFZSA-N 2 0 350.510 3.335 20 0 FGADRP CCn1nccc1C[NH2+]CCc1ccc(OCC[NH+]2C[C@@H](C)[C@H](C)C2)cc1 ZINC000540325103 503737147 /nfs/dbraw/zinc/73/71/47/503737147.db2.gz WNMFUXKPOIIWKM-RTBURBONSA-N 2 0 370.541 3.202 20 0 FGADRP C[C@H]([NH2+]CCc1ccc(OCC[N@@H+]2C[C@H](C)[C@H](C)C2)cc1)c1nccn1C ZINC000540394220 503757611 /nfs/dbraw/zinc/75/76/11/503757611.db2.gz JMUGMLJJFUJQQX-OTWHNJEPSA-N 2 0 370.541 3.280 20 0 FGADRP CC[N@H+](CCC1CCN(C(=O)C[NH+]2CCC(C)CC2)CC1)CC(C)C ZINC000536925999 503762695 /nfs/dbraw/zinc/76/26/95/503762695.db2.gz SNXWXVPWQPEGLV-UHFFFAOYSA-N 2 0 351.579 3.325 20 0 FGADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)NC2CC[NH+](C(C)(C)C)CC2)C1 ZINC000517543705 503766728 /nfs/dbraw/zinc/76/67/28/503766728.db2.gz ZLBUZDUJYAIFEF-XLIONFOSSA-N 2 0 372.557 3.384 20 0 FGADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000543432204 503767699 /nfs/dbraw/zinc/76/76/99/503767699.db2.gz HRZWWWNXYQUMLJ-IBGZPJMESA-N 2 0 359.558 3.320 20 0 FGADRP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCC2([NH+](C)C)CCCCC2)C1 ZINC000517590923 503780520 /nfs/dbraw/zinc/78/05/20/503780520.db2.gz DMHGELNVRCBKAS-KRWDZBQOSA-N 2 0 352.567 3.061 20 0 FGADRP COc1ccc(C[NH+]2CCC(C)(C[NH+]3CCN(C)CC3)CC2)cc1Cl ZINC000543523939 503802012 /nfs/dbraw/zinc/80/20/12/503802012.db2.gz ZTPFDLVQOHKGRJ-UHFFFAOYSA-N 2 0 365.949 3.198 20 0 FGADRP CCCC[N@H+](CC)Cc1cccc(CNC(=O)NCC2=CC[NH+](C)CC2)c1 ZINC000540585483 503824426 /nfs/dbraw/zinc/82/44/26/503824426.db2.gz IKLFCDJGOFNOAL-UHFFFAOYSA-N 2 0 372.557 3.370 20 0 FGADRP CCO[C@H]1C[C@@H]([NH2+]Cc2ccc(N3CC[NH+](CC)CC3)nc2)C12CCCC2 ZINC000540596111 503827719 /nfs/dbraw/zinc/82/77/19/503827719.db2.gz KRGYGIQSWNMSQR-UXHICEINSA-N 2 0 372.557 3.051 20 0 FGADRP CC(C)CO[C@@H]1C[C@@H]([NH2+][C@H](CN2CC[NH+](C)CC2)c2ccccc2)C1(C)C ZINC000540595607 503828258 /nfs/dbraw/zinc/82/82/58/503828258.db2.gz CJKJHSVKKAWABE-YPAWHYETSA-N 2 0 373.585 3.404 20 0 FGADRP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2c[nH]nc2-c2ccc(Br)s2)C1 ZINC000527656715 503879596 /nfs/dbraw/zinc/87/95/96/503879596.db2.gz JDTYGKSQMZKDRT-NSHDSACASA-N 2 0 369.332 3.332 20 0 FGADRP CC(C)[C@H]([NH2+]CCCC[NH+]1CCN(CCO)CC1)c1cc2ccccc2o1 ZINC000537346196 503884670 /nfs/dbraw/zinc/88/46/70/503884670.db2.gz YHHPPXVRIZGTPW-QFIPXVFZSA-N 2 0 373.541 3.110 20 0 FGADRP C[C@H]1C[C@H]([NH2+]Cc2c[nH]nc2-c2ccc(Br)s2)CC[N@@H+]1C ZINC000527669866 503887208 /nfs/dbraw/zinc/88/72/08/503887208.db2.gz ZRLIEYBRHCYYDT-CMPLNLGQSA-N 2 0 369.332 3.473 20 0 FGADRP Clc1cc2cccnc2c(C[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)c1 ZINC000530239992 503890029 /nfs/dbraw/zinc/89/00/29/503890029.db2.gz JAORFLPLLCBVFT-IBGZPJMESA-N 2 0 359.901 3.479 20 0 FGADRP FC(F)(F)c1ccccc1OCC[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530243757 503892614 /nfs/dbraw/zinc/89/26/14/503892614.db2.gz YLOMGYDNOHDVNG-INIZCTEOSA-N 2 0 372.431 3.175 20 0 FGADRP O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000518094714 503907801 /nfs/dbraw/zinc/90/78/01/503907801.db2.gz UQRZKPKPKHYAPS-RTWAWAEBSA-N 2 0 370.541 3.093 20 0 FGADRP CC(=O)Nc1ccc(CN2CCC([NH2+]Cc3ccnc(C)c3)CC2)cc1 ZINC000527715431 503910538 /nfs/dbraw/zinc/91/05/38/503910538.db2.gz HGNVSQYMAMNBQH-UHFFFAOYSA-N 2 0 352.482 3.103 20 0 FGADRP Cc1cccc(C)c1[C@@H](C)NC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000546915715 503925388 /nfs/dbraw/zinc/92/53/88/503925388.db2.gz WGYPKPIPMCMODT-LJQANCHMSA-N 2 0 362.562 3.279 20 0 FGADRP CC1CC[NH+]([C@H](CNC(=O)NC[C@@H]2CCC[C@@H]([NH3+])C2)c2ccccc2)CC1 ZINC000518344774 503958063 /nfs/dbraw/zinc/95/80/63/503958063.db2.gz XTMNEDZDZJEMGS-HMXCVIKNSA-N 2 0 372.557 3.276 20 0 FGADRP c1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH2+]CCOC[C@@H]4CCCO4)[C@H]3C2)cc1 ZINC000540976267 503962171 /nfs/dbraw/zinc/96/21/71/503962171.db2.gz HFHBWMCCZUWKJE-CMOCDZPBSA-N 2 0 358.526 3.072 20 0 FGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H]2CCc3cc(F)c(Cl)cc32)CC1 ZINC000527859317 503975836 /nfs/dbraw/zinc/97/58/36/503975836.db2.gz PSKKNMKAPSDKKA-KUHUBIRLSA-N 2 0 353.913 3.330 20 0 FGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@@H]2CCc3cc(F)c(Cl)cc32)CC1 ZINC000527859314 503975880 /nfs/dbraw/zinc/97/58/80/503975880.db2.gz PSKKNMKAPSDKKA-IFXJQAMLSA-N 2 0 353.913 3.330 20 0 FGADRP C[C@H](CNC(=O)NCC[N@H+]1[C@H](C)CCC[C@@H]1C)[NH+](C)Cc1ccccc1 ZINC000518438957 503985081 /nfs/dbraw/zinc/98/50/81/503985081.db2.gz SCBXNVRNLBNFKU-CEXWTWQISA-N 2 0 360.546 3.069 20 0 FGADRP CCC[NH+]1CCC(NC(=O)[C@@H](C)[NH+]2CCC(Cc3ccccc3)CC2)CC1 ZINC000518443306 503987282 /nfs/dbraw/zinc/98/72/82/503987282.db2.gz IFZJTJODNZCGPJ-LJQANCHMSA-N 2 0 371.569 3.320 20 0 FGADRP CCC[NH+]1CCN(c2ccccc2C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)CC1 ZINC000537694959 504008490 /nfs/dbraw/zinc/00/84/90/504008490.db2.gz XUOZUZIRJDIRSW-UNMCSNQZSA-N 3 0 370.585 3.135 20 0 FGADRP CC[C@H](CNCc1c(Cl)cccc1N1CC[NH+](C)CC1)[NH+]1CCCC1 ZINC000537748644 504026202 /nfs/dbraw/zinc/02/62/02/504026202.db2.gz RHIXFXHUEGCMLL-QGZVFWFLSA-N 2 0 364.965 3.056 20 0 FGADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1cc2ccc(C(C)(C)C)cc2[nH]1 ZINC000530641698 504036453 /nfs/dbraw/zinc/03/64/53/504036453.db2.gz BIDLJNZMVAOQQV-UHFFFAOYSA-N 2 0 358.530 3.031 20 0 FGADRP COCCOc1ccc([C@H](C)[NH2+]C[C@@H]2CCN2C2CCCC2)cc1OC ZINC000528015425 504040683 /nfs/dbraw/zinc/04/06/83/504040683.db2.gz XKJOPUAIBMJHRA-LPHOPBHVSA-N 2 0 362.514 3.388 20 0 FGADRP CC[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)CC(=O)Nc2cc(Cl)ccc2OC)C1 ZINC000541216288 504046129 /nfs/dbraw/zinc/04/61/29/504046129.db2.gz KUZNNNMSWMQICX-LSDHHAIUSA-N 2 0 367.921 3.387 20 0 FGADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@@H](C)[C@H]1OCCc2sccc21 ZINC000518748255 504054213 /nfs/dbraw/zinc/05/42/13/504054213.db2.gz LSCOAWQKTDQWHU-IFXJQAMLSA-N 2 0 354.479 3.429 20 0 FGADRP Cc1ccc(C[N@H+]2CC[C@H](CN(C)C(=O)C[NH+]3CCC(C)(C)C3)C2)s1 ZINC000518794748 504066310 /nfs/dbraw/zinc/06/63/10/504066310.db2.gz NWQLJIDJARSCHG-QGZVFWFLSA-N 2 0 363.571 3.069 20 0 FGADRP CC(C)C[C@H](C)[NH2+][C@@H](C)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000537949246 504093252 /nfs/dbraw/zinc/09/32/52/504093252.db2.gz XSRYYXLVHPAEJB-IRXDYDNUSA-N 2 0 369.575 3.002 20 0 FGADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](CO)Cc2ccc(C(F)(F)F)cc2)[C@@H](C)C1 ZINC000537963109 504097176 /nfs/dbraw/zinc/09/71/76/504097176.db2.gz ZATUDMDDWNQHHQ-LESCRADOSA-N 2 0 358.448 3.176 20 0 FGADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000530840417 504103454 /nfs/dbraw/zinc/10/34/54/504103454.db2.gz BKNRGQSWFJOUHK-MAUKXSAKSA-N 2 0 366.937 3.116 20 0 FGADRP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH2+]CC1(O)Cc2ccccc2C1 ZINC000530856572 504109398 /nfs/dbraw/zinc/10/93/98/504109398.db2.gz QSJCPVWZBSACBN-UHFFFAOYSA-N 2 0 352.522 3.264 20 0 FGADRP C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)[C@H](C)C1 ZINC000544381939 504110647 /nfs/dbraw/zinc/11/06/47/504110647.db2.gz LFCOIDFMGXIUSX-DBXWQHBBSA-N 2 0 357.542 3.427 20 0 FGADRP CC[NH+](CC)CCN(Cc1ccccc1)C(=O)NCC[N@@H+]1CCC[C@@H](C)C1 ZINC000519017772 504119628 /nfs/dbraw/zinc/11/96/28/504119628.db2.gz LQHNWGKUVRLYNN-HXUWFJFHSA-N 2 0 374.573 3.272 20 0 FGADRP CCO[C@@H]1C[C@H]([NH2+][C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)[C@]12CCCO2 ZINC000547507890 504130603 /nfs/dbraw/zinc/13/06/03/504130603.db2.gz DJWPEVCTUVGVFM-WHCFWRGISA-N 2 0 358.526 3.213 20 0 FGADRP C[C@H](C[NH2+][C@H](CN1CC[NH+](C)CC1)c1ccccc1)Cc1ccccc1 ZINC000547516380 504133969 /nfs/dbraw/zinc/13/39/69/504133969.db2.gz FKNGADWETVPFQO-NZQKXSOJSA-N 2 0 351.538 3.444 20 0 FGADRP C[C@@H]1C[NH+](CCOc2ccc(CC[NH2+]Cc3ccncc3)cc2)C[C@H]1C ZINC000538122693 504136747 /nfs/dbraw/zinc/13/67/47/504136747.db2.gz MSJZLSPANSJIMX-RTBURBONSA-N 2 0 353.510 3.381 20 0 FGADRP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)N2CCC[C@H]2C[NH+]2CCCC2)C1 ZINC000519176477 504158160 /nfs/dbraw/zinc/15/81/60/504158160.db2.gz ZCWDGEZVJKTQIR-QRVBRYPASA-N 2 0 364.578 3.013 20 0 FGADRP CN(C(=O)NCC1(C[NH+](C)C)CCCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000544818060 504269457 /nfs/dbraw/zinc/26/94/57/504269457.db2.gz ZMFDRVCUTMLBEF-FQEVSTJZSA-N 2 0 372.557 3.024 20 0 FGADRP OC1(C[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)Cc2ccccc2C1 ZINC000541882363 504289617 /nfs/dbraw/zinc/28/96/17/504289617.db2.gz FJDIKBQFZBVDGR-RJGXRXQPSA-N 2 0 362.517 3.017 20 0 FGADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@@H]1CCN(Cc2ccccc2)[C@H]1C ZINC000519669640 504296276 /nfs/dbraw/zinc/29/62/76/504296276.db2.gz UYPGWLJKJGWUQN-PGRDOPGGSA-N 2 0 361.493 3.328 20 0 FGADRP C[C@@H](C(=O)N1CCCCC1)[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000534967446 504296291 /nfs/dbraw/zinc/29/62/91/504296291.db2.gz XKAUNLUDOLEZMB-FQEVSTJZSA-N 2 0 369.553 3.376 20 0 FGADRP O=C(Nc1ccc(CC[NH+]2CCCCC2)cc1)N[C@H]1CC[NH2+]C12CCC2 ZINC000528674159 504324659 /nfs/dbraw/zinc/32/46/59/504324659.db2.gz HDPAXEVCQVAISP-IBGZPJMESA-N 2 0 356.514 3.121 20 0 FGADRP Cc1nn(C(C)(C)C)c(C)c1C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000538725308 504345184 /nfs/dbraw/zinc/34/51/84/504345184.db2.gz NERAPUFDTBFWMF-UHFFFAOYSA-N 2 0 362.562 3.332 20 0 FGADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2c(C)nn(C(C)(C)C)c2C)C1 ZINC000538749762 504357684 /nfs/dbraw/zinc/35/76/84/504357684.db2.gz DZPIECCMMWHAKV-GOSISDBHSA-N 2 0 350.551 3.188 20 0 FGADRP CN(c1ccccc1C[NH2+]CCc1ccc(O)cc1)C1CC[NH+](C)CC1 ZINC000531594591 504358246 /nfs/dbraw/zinc/35/82/46/504358246.db2.gz VIKHXHTYRPSMBL-UHFFFAOYSA-N 2 0 353.510 3.255 20 0 FGADRP CC1=CC[N@H+](CCNC(=O)NC2CC[NH+]([C@H](C)c3ccccc3)CC2)CC1 ZINC000545158782 504378313 /nfs/dbraw/zinc/37/83/13/504378313.db2.gz MXPCNSXKPPANQM-LJQANCHMSA-N 2 0 370.541 3.163 20 0 FGADRP CC[C@H](C(=O)NC[C@H]1CCCCN1Cc1cccc(Cl)c1)[NH+](C)C ZINC000531709078 504399512 /nfs/dbraw/zinc/39/95/12/504399512.db2.gz DYDIOEPCKZQGPK-QZTJIDSGSA-N 2 0 351.922 3.151 20 0 FGADRP C[C@@H](CCN1C(=O)c2ccccc2C1=O)[NH2+]CCCC[N@@H+]1CCCC[C@@H]1C ZINC000545246263 504414144 /nfs/dbraw/zinc/41/41/44/504414144.db2.gz JCKUMTBZDRIYCI-ROUUACIJSA-N 2 0 371.525 3.305 20 0 FGADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@H](CO)Cc1ccc(C(F)(F)F)cc1 ZINC000539057775 504459990 /nfs/dbraw/zinc/45/99/90/504459990.db2.gz DCAWLJADMYTXBS-DEICHXMPSA-N 2 0 358.448 3.175 20 0 FGADRP Cc1cccc(NC(=O)C[C@H](C)[NH2+]CCCC[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC000539071687 504464868 /nfs/dbraw/zinc/46/48/68/504464868.db2.gz YJDAHTCKFGEOBQ-IPMKNSEASA-N 2 0 361.530 3.191 20 0 FGADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H](C)c2sccc2Br)CC1 ZINC000531947528 504483080 /nfs/dbraw/zinc/48/30/80/504483080.db2.gz VXADBXXQRRAEIO-OLZOCXBDSA-N 2 0 360.365 3.187 20 0 FGADRP C[C@H]1C[C@H]([NH2+]Cc2cc(C(F)(F)F)ccc2N2CC[NH+](C)CC2)CCO1 ZINC000539215431 504499778 /nfs/dbraw/zinc/49/97/78/504499778.db2.gz NIPPAMARKDMOSV-WMLDXEAASA-N 2 0 371.447 3.114 20 0 FGADRP C[C@H]([NH3+])C[C@H](C)NC(=O)NCc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000520577842 504532247 /nfs/dbraw/zinc/53/22/47/504532247.db2.gz DGIGSUVQOGEJMY-IRXDYDNUSA-N 2 0 360.546 3.376 20 0 FGADRP CC(C)[NH+]1CCC(O)(C[NH2+]Cc2cnc(-c3cccs3)s2)CC1 ZINC000532120910 504541288 /nfs/dbraw/zinc/54/12/88/504541288.db2.gz XLZKBMXOZSYGDU-UHFFFAOYSA-N 2 0 351.541 3.197 20 0 FGADRP COc1cc(C)ccc1[C@H](C)[NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000532193808 504569799 /nfs/dbraw/zinc/56/97/99/504569799.db2.gz CIHLENDUOZNKDA-KRWDZBQOSA-N 2 0 354.498 3.001 20 0 FGADRP c1cnc(N2CCC([NH2+]C[C@H]3CCC[N@@H+]3CC3CCCCC3)CC2)cn1 ZINC000532227820 504580119 /nfs/dbraw/zinc/58/01/19/504580119.db2.gz XTAITARBCLFBCI-HXUWFJFHSA-N 2 0 357.546 3.080 20 0 FGADRP CC(C)C[C@H](CNC(=O)NCC1=CC[N@H+](C)CC1)[NH2+][C@@H](C)c1ccccc1 ZINC000539485312 504585717 /nfs/dbraw/zinc/58/57/17/504585717.db2.gz FRZFGUREXTYFOL-GHTZIAJQSA-N 2 0 372.557 3.313 20 0 FGADRP C[C@H]([NH2+]C(C)(C)CNC(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000542745056 504593562 /nfs/dbraw/zinc/59/35/62/504593562.db2.gz STMKDAVLSVGEGJ-ROUUACIJSA-N 2 0 374.573 3.488 20 0 FGADRP C[NH+]1CCN(c2ccc(C[NH2+]Cc3cscc3C(F)(F)F)cn2)CC1 ZINC000520898931 504606266 /nfs/dbraw/zinc/60/62/66/504606266.db2.gz IURADGQECFLYBG-UHFFFAOYSA-N 2 0 370.444 3.204 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)[C@H](C)CN1C(=O)CCN(C)c1cc[nH+]cc1 ZINC000542786191 504610802 /nfs/dbraw/zinc/61/08/02/504610802.db2.gz IAJALVCHLTZWCU-RTBURBONSA-N 2 0 366.509 3.029 20 0 FGADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N[C@H]2CC[NH2+]C23CCC3)cc1 ZINC000529289245 504621578 /nfs/dbraw/zinc/62/15/78/504621578.db2.gz NVIWYBSDQLIULX-PXNSSMCTSA-N 2 0 370.541 3.145 20 0 FGADRP CC(C)CC[C@@](C)(O)C[NH2+]Cc1c(Cl)cccc1N1CC[NH+](C)CC1 ZINC000536130023 504642225 /nfs/dbraw/zinc/64/22/25/504642225.db2.gz HPYXBRGRSSWEDE-HXUWFJFHSA-N 2 0 367.965 3.369 20 0 FGADRP C[C@H](CC[NH+](C)C)[NH2+][C@H](C)CC(=O)Nc1cccc(Br)c1 ZINC000532491557 504669323 /nfs/dbraw/zinc/66/93/23/504669323.db2.gz HXELLUNQQVQKEI-CHWSQXEVSA-N 2 0 356.308 3.096 20 0 FGADRP c1nc(N2CCCC2)ncc1C[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000539851819 504718579 /nfs/dbraw/zinc/71/85/79/504718579.db2.gz DMVKESFXMVLTGS-UHFFFAOYSA-N 2 0 357.546 3.165 20 0 FGADRP C[C@@H]([NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1)C1CC(F)(F)C1 ZINC000529539090 504721058 /nfs/dbraw/zinc/72/10/58/504721058.db2.gz PLXQETNHMNXHRX-OAHLLOKOSA-N 2 0 365.468 3.036 20 0 FGADRP CCCC[N@H+](C)CC1CCN([C@@H](C)c2nnnn2-c2ccccc2)CC1 ZINC000521428620 504734820 /nfs/dbraw/zinc/73/48/20/504734820.db2.gz KRXYWTWHJDWLIW-KRWDZBQOSA-N 2 0 356.518 3.167 20 0 FGADRP CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCC(C[NH+](C)C(C)C)CC1 ZINC000532696954 504737993 /nfs/dbraw/zinc/73/79/93/504737993.db2.gz ULUWTGVBHNOUCN-HXUWFJFHSA-N 2 0 366.594 3.259 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1CCCNC(=O)C[C@H](c1ncc[nH]1)c1ccccc1 ZINC000552866925 504777844 /nfs/dbraw/zinc/77/78/44/504777844.db2.gz YHNUGCATNJPABH-MJGOQNOKSA-N 2 0 354.498 3.312 20 0 FGADRP C[NH2+]CCc1ccccc1C(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000565040652 504778728 /nfs/dbraw/zinc/77/87/28/504778728.db2.gz NTCQYCPZMHBTHO-LJQANCHMSA-N 2 0 359.901 3.135 20 0 FGADRP COc1ccccc1[C@@H](CNC(=O)C[N@@H+]1CCC(C)(C)C1)[NH+]1CCCCC1 ZINC000553020928 504806640 /nfs/dbraw/zinc/80/66/40/504806640.db2.gz CBLKOYIKGSYXLH-LJQANCHMSA-N 2 0 373.541 3.070 20 0 FGADRP CC[C@H](C(=O)NCc1cccc(C[NH+](C)C)c1)[N@H+](C)Cc1ccccc1 ZINC000559271993 504816199 /nfs/dbraw/zinc/81/61/99/504816199.db2.gz SSJZSGLTQXIWSW-OAQYLSRUSA-N 2 0 353.510 3.275 20 0 FGADRP CCO[C@@H]1C[C@H]([NH2+][C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)[C@@H]1n1cccn1 ZINC000556270132 504832601 /nfs/dbraw/zinc/83/26/01/504832601.db2.gz ZVYIWHXRMUDYMG-KHSAKVFQSA-N 2 0 368.525 3.102 20 0 FGADRP CC[C@H](NC(=O)C[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)c1ccc(Cl)cc1 ZINC000565303931 504849397 /nfs/dbraw/zinc/84/93/97/504849397.db2.gz XITLVVAPOFBFGE-LMMKCTJWSA-N 2 0 363.933 3.229 20 0 FGADRP C[C@@H]1C[C@@H](NC(=O)NCC(C)(C)[N@@H+]2CCc3ccccc3C2)c2nccn21 ZINC000562585393 504868657 /nfs/dbraw/zinc/86/86/57/504868657.db2.gz RRBNZJHIRGEMFM-CRAIPNDOSA-N 2 0 367.497 3.025 20 0 FGADRP C[C@H]1C[C@H](NC(=O)NCC(C)(C)[N@@H+]2CCc3ccccc3C2)c2nccn21 ZINC000562585397 504868860 /nfs/dbraw/zinc/86/88/60/504868860.db2.gz RRBNZJHIRGEMFM-YJBOKZPZSA-N 2 0 367.497 3.025 20 0 FGADRP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1ccc2c[nH+]cn2c1 ZINC000556478138 504884441 /nfs/dbraw/zinc/88/44/41/504884441.db2.gz VZGIAWJWUXBOBI-HXUWFJFHSA-N 2 0 362.477 3.365 20 0 FGADRP CC[C@@H](C(=O)NC[C@H](c1cccs1)[NH+](C)C)[N@H+](C)Cc1ccccc1 ZINC000549737521 504885169 /nfs/dbraw/zinc/88/51/69/504885169.db2.gz LCEIKDPSBWBFTQ-ZWKOTPCHSA-N 2 0 359.539 3.378 20 0 FGADRP Cc1cccc(C[NH+]2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)c1C ZINC000565449239 504889808 /nfs/dbraw/zinc/88/98/08/504889808.db2.gz GCSINXJYYAXOGH-UHFFFAOYSA-N 2 0 357.542 3.118 20 0 FGADRP CC[C@H](C[NH2+]Cc1cnc2c(c1)c(C)nn2C)N1CCc2ccccc2C1 ZINC000549763628 504891275 /nfs/dbraw/zinc/89/12/75/504891275.db2.gz JYBOMIPWENUFPO-HXUWFJFHSA-N 2 0 363.509 3.203 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1CCC(=O)N1CCC[NH+](Cc2ccccc2)C[C@H]1C ZINC000549766124 504891958 /nfs/dbraw/zinc/89/19/58/504891958.db2.gz GOVUXKHSQJQBEO-WOJBJXKFSA-N 2 0 357.542 3.374 20 0 FGADRP COc1cccc([C@H]2[C@@H](c3ccccc3)CC[N@@H+]2CCN2CC[NH2+]CC2)c1 ZINC000565481331 504900789 /nfs/dbraw/zinc/90/07/89/504900789.db2.gz UKRWKQQSIWLPHR-PKTZIBPZSA-N 2 0 365.521 3.131 20 0 FGADRP COc1cccc([C@@H]2[C@@H](c3ccccc3)CC[N@@H+]2CCN2CC[NH2+]CC2)c1 ZINC000565481329 504900868 /nfs/dbraw/zinc/90/08/68/504900868.db2.gz UKRWKQQSIWLPHR-DHIUTWEWSA-N 2 0 365.521 3.131 20 0 FGADRP COc1ccccc1[C@@H](CC(C)C)[NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000553410327 504907430 /nfs/dbraw/zinc/90/74/30/504907430.db2.gz TZDMSCCGBIEEBE-HXUWFJFHSA-N 2 0 373.541 3.115 20 0 FGADRP O=C(Nc1cccc(-c2ncc3n2CCCC3)c1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000562763194 504936915 /nfs/dbraw/zinc/93/69/15/504936915.db2.gz QVPNTORDRNCVIY-HDICACEKSA-N 2 0 365.481 3.245 20 0 FGADRP CC[NH+](CC)[C@H](C(=O)N1CC[N@@H+](C2CCC2)C[C@@H](C)C1)c1ccccc1 ZINC000553528551 504941730 /nfs/dbraw/zinc/94/17/30/504941730.db2.gz QVNZDCXNFSFEMH-NQIIRXRSSA-N 2 0 357.542 3.402 20 0 FGADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]C[C@@H](O)CO[C@@H]2CCCc3ccccc32)C1 ZINC000565654867 504950582 /nfs/dbraw/zinc/95/05/82/504950582.db2.gz NRAQBNHLTVMXGZ-KJXAQDMKSA-N 2 0 374.569 3.399 20 0 FGADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCC[C@H]1COc1cccnc1C ZINC000562810540 504954689 /nfs/dbraw/zinc/95/46/89/504954689.db2.gz JVHDELMKTBNCIV-FQEVSTJZSA-N 2 0 363.465 3.323 20 0 FGADRP C[NH+](C)CCOCC[NH2+][C@@H]1CCCc2nc(-c3ccc(F)cc3)sc21 ZINC000560002819 504968321 /nfs/dbraw/zinc/96/83/21/504968321.db2.gz RVQVEAZWLBCNLC-MRXNPFEDSA-N 2 0 363.502 3.494 20 0 FGADRP C/C(=C\c1cccc(C(F)(F)F)c1)C[NH2+]C[C@H](C)N1CC[NH+](C)CC1 ZINC000565739059 504973442 /nfs/dbraw/zinc/97/34/42/504973442.db2.gz XHOUSJWOEILYFT-SFKKXYGYSA-N 2 0 355.448 3.334 20 0 FGADRP CC[C@@H](C(=O)N(CC[NH+](C)C)Cc1ccco1)[N@H+](C)Cc1ccccc1 ZINC000550130621 504973648 /nfs/dbraw/zinc/97/36/48/504973648.db2.gz CCHMMVNVJNIOEE-FQEVSTJZSA-N 2 0 357.498 3.080 20 0 FGADRP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+](C)C[C@@H]2CC=CCC2)CC1 ZINC000562894467 504979011 /nfs/dbraw/zinc/97/90/11/504979011.db2.gz PJCXLHXSDNEYQM-HXUWFJFHSA-N 2 0 369.553 3.364 20 0 FGADRP C[N@@H+]1CCC[C@@]2(CC[NH+](CCC(=O)Nc3cccc(C(F)(F)F)c3)C2)C1 ZINC000550238089 504998329 /nfs/dbraw/zinc/99/83/29/504998329.db2.gz QHGNAHQMUDJHDU-GOSISDBHSA-N 2 0 369.431 3.452 20 0 FGADRP C[NH+](C)[C@H]1CCC[C@@H]([NH2+]CCC(=O)Nc2cccc(C(F)(F)F)c2)C1 ZINC000562988900 505011814 /nfs/dbraw/zinc/01/18/14/505011814.db2.gz CQSSNBIBSJZRBS-ZBFHGGJFSA-N 2 0 357.420 3.496 20 0 FGADRP CC[NH+](CC)CCOc1ccc(C(=O)N2CC[C@@H]([NH+]3CCCC3)[C@@H]2C)cc1 ZINC000553790545 505011984 /nfs/dbraw/zinc/01/19/84/505011984.db2.gz HMGLPFLENWLOQJ-GHTZIAJQSA-N 2 0 373.541 3.106 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)[C@@H]1C[NH2+]Cc2ccccc21)c1ccsc1 ZINC000563060290 505036412 /nfs/dbraw/zinc/03/64/12/505036412.db2.gz CFRKZVZUHQEDBP-MOPGFXCFSA-N 2 0 357.523 3.134 20 0 FGADRP CC[NH+](CC)Cc1cccc(CNC(=O)[C@@]2(c3ccccc3)CC[NH2+]C2)c1 ZINC000563064535 505037591 /nfs/dbraw/zinc/03/75/91/505037591.db2.gz MZNNRLGABWKBPJ-QHCPKHFHSA-N 2 0 365.521 3.076 20 0 FGADRP C[C@H](NC(=O)Nc1ccc2c(c1)C[NH2+]CC2)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000557036128 505049455 /nfs/dbraw/zinc/04/94/55/505049455.db2.gz ZNGCVSKTFOYMNY-RDJZCZTQSA-N 2 0 356.514 3.107 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)[C@H]([NH3+])c1ccccc1 ZINC000553976856 505058025 /nfs/dbraw/zinc/05/80/25/505058025.db2.gz GSYXDERYZLQDGF-DYESRHJHSA-N 2 0 351.494 3.377 20 0 FGADRP C[NH+](C)Cc1ccccc1C(=O)NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000563159359 505062970 /nfs/dbraw/zinc/06/29/70/505062970.db2.gz HWYBTNBWZAMZCH-AZUAARDMSA-N 2 0 369.484 3.010 20 0 FGADRP [NH3+]C1(CNC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CCCCCC1 ZINC000557136009 505075591 /nfs/dbraw/zinc/07/55/91/505075591.db2.gz UCQGNZGDBYEIHG-UHFFFAOYSA-N 2 0 358.530 3.133 20 0 FGADRP COC[C@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)c1cccc(Cl)c1F ZINC000554073612 505081450 /nfs/dbraw/zinc/08/14/50/505081450.db2.gz YZBYPYDVHJBZGE-SFHVURJKSA-N 2 0 371.928 3.030 20 0 FGADRP C[N@@H+]1CCC[C@H](CNC(=O)c2ccc3c[nH+]cn3c2)[C@H]1c1cccs1 ZINC000550665141 505082493 /nfs/dbraw/zinc/08/24/93/505082493.db2.gz DVPQKVSIINVRHI-KDOFPFPSSA-N 2 0 354.479 3.209 20 0 FGADRP C[C@@H]1C[C@@H]1[N@@H+]1CCN(C(=O)[C@@H]2CCCC[NH+]2Cc2ccccc2)C[C@@H](C)C1 ZINC000554128614 505099827 /nfs/dbraw/zinc/09/98/27/505099827.db2.gz OYHXXIJSBCIVBQ-MXNKGDRCSA-N 2 0 369.553 3.230 20 0 FGADRP C[C@@H](C(=O)N(CCC[NH+](C)C)Cc1ccc(Cl)c(Cl)c1)C1C[NH2+]C1 ZINC000566163571 505101627 /nfs/dbraw/zinc/10/16/27/505101627.db2.gz XPJXABBDXIOQQB-CYBMUJFWSA-N 2 0 372.340 3.129 20 0 FGADRP C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)CC[C@@H]2CC[NH2+]C2)cc1 ZINC000566171939 505104533 /nfs/dbraw/zinc/10/45/33/505104533.db2.gz ICHMJYAMUISMFW-GOSISDBHSA-N 2 0 365.521 3.421 20 0 FGADRP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@H](CC(C)(C)C)[NH2+]C ZINC000566181574 505106179 /nfs/dbraw/zinc/10/61/79/505106179.db2.gz PAVNGGVLQWQMMN-WOJBJXKFSA-N 2 0 359.558 3.381 20 0 FGADRP CC[NH+](CC)CCCNC(=O)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000554217590 505118881 /nfs/dbraw/zinc/11/88/81/505118881.db2.gz DVZIYEQSZRUZKY-QFIPXVFZSA-N 2 0 372.557 3.026 20 0 FGADRP CC[C@H](C)[NH2+][C@@H](CNC(=O)NCCC[N@@H+]1CCCC[C@@H]1C)c1ccco1 ZINC000554252186 505125612 /nfs/dbraw/zinc/12/56/12/505125612.db2.gz GXNGDLMZCCGBQT-BZSNNMDCSA-N 2 0 364.534 3.273 20 0 FGADRP COc1ccc([C@@H](CNC(=O)CCCC[NH+](C)C)[NH+]2CCCCC2)cc1 ZINC000560601955 505139573 /nfs/dbraw/zinc/13/95/73/505139573.db2.gz PFANANYCUZQUQF-HXUWFJFHSA-N 2 0 361.530 3.070 20 0 FGADRP Cc1ccc([C@H](CNC(=O)Nc2cccc3c2CC[NH2+]C3)[NH+](C)C)cc1 ZINC000563499220 505157256 /nfs/dbraw/zinc/15/72/56/505157256.db2.gz QWNNOSRSRZIKDV-FQEVSTJZSA-N 2 0 352.482 3.065 20 0 FGADRP C[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]Cc2ccc(Cn3cncn3)cc2)CC1 ZINC000563562252 505177115 /nfs/dbraw/zinc/17/71/15/505177115.db2.gz MVOJJSHVIGNQOH-PGRDOPGGSA-N 2 0 367.541 3.459 20 0 FGADRP C[C@@H]1CC[C@@H]([NH2+]CCCN2CCc3ccccc3C2)[C@@H](n2cncn2)C1 ZINC000551268109 505189625 /nfs/dbraw/zinc/18/96/25/505189625.db2.gz ZTLFIICZGKVRHE-UIFIKXQLSA-N 2 0 353.514 3.046 20 0 FGADRP C[C@@H](NC(=O)NCc1cccc(C[NH+]2CCC(C)CC2)c1)[C@@H]1CCC[NH2+]C1 ZINC000563610307 505192531 /nfs/dbraw/zinc/19/25/31/505192531.db2.gz PYBGRBHIIVWBJG-WIYYLYMNSA-N 2 0 372.557 3.106 20 0 FGADRP C[C@H]([NH2+][C@@H]1CCOC2(CCOCC2)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000560920547 505211243 /nfs/dbraw/zinc/21/12/43/505211243.db2.gz SAEAKOXMLNMULQ-PKOBYXMFSA-N 2 0 362.514 3.006 20 0 FGADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)N2C[C@H]([NH+]3CCCC3)C[C@@H]2C)C1 ZINC000557812175 505236135 /nfs/dbraw/zinc/23/61/35/505236135.db2.gz NEWZPNJSDXZUNU-IZZBFERCSA-N 2 0 370.541 3.090 20 0 FGADRP NC(=O)c1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)cc1 ZINC000563936793 505281047 /nfs/dbraw/zinc/28/10/47/505281047.db2.gz LHJCRDSUQARYOA-YPAWHYETSA-N 2 0 363.505 3.318 20 0 FGADRP COc1ccc([C@@H](C[NH3+])C[N@@H+]2CCC[C@H](c3ncc4n3CCCC4)C2)cc1 ZINC000561279259 505301620 /nfs/dbraw/zinc/30/16/20/505301620.db2.gz NANSNWHYMWPCKG-OALUTQOASA-N 2 0 368.525 3.150 20 0 FGADRP CC[NH+]1CCN(Cc2ccc(NC(=O)c3ccc([C@@H](C)[NH3+])cc3)cc2)CC1 ZINC000564080296 505320323 /nfs/dbraw/zinc/32/03/23/505320323.db2.gz CFGAAOFGZIRWRW-QGZVFWFLSA-N 2 0 366.509 3.096 20 0 FGADRP Cc1cc2ncn(C[C@H](O)C[NH2+]CCc3cc(C)c(O)c(C)c3)c2cc1C ZINC000564203200 505351974 /nfs/dbraw/zinc/35/19/74/505351974.db2.gz DNZNUMFSSYHRKX-LJQANCHMSA-N 2 0 367.493 3.169 20 0 FGADRP CC(C)(C)NC(=O)C[NH+]1CCC(C[NH2+][C@H]2CCCNc3ccccc32)CC1 ZINC000567085140 505358663 /nfs/dbraw/zinc/35/86/63/505358663.db2.gz RKJHZYCKTUINHD-FQEVSTJZSA-N 2 0 372.557 3.150 20 0 FGADRP CC[C@H](C)[NH2+][C@H](CNC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)c1ccco1 ZINC000558345376 505364564 /nfs/dbraw/zinc/36/45/64/505364564.db2.gz OANUCKJSDZQMJB-UHOSZYNNSA-N 2 0 372.513 3.311 20 0 FGADRP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@@H]3CCCC[C@@H]32)CC1 ZINC000567107883 505365302 /nfs/dbraw/zinc/36/53/02/505365302.db2.gz WJMAGRJCSKKDOR-UGKGYDQZSA-N 2 0 369.553 3.340 20 0 FGADRP CC[N@H+](CCNC(=O)N1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1)C(C)C ZINC000561533889 505370970 /nfs/dbraw/zinc/37/09/70/505370970.db2.gz GXUBXQGUXMVTRB-JOCHJYFZSA-N 2 0 372.557 3.024 20 0 FGADRP CC[C@@H]1C[C@H](C[NH+]2CCN([C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)CCO1 ZINC000567147729 505377068 /nfs/dbraw/zinc/37/70/68/505377068.db2.gz YPMGXXYPLAVZOH-DNVJHFABSA-N 2 0 371.569 3.084 20 0 FGADRP Cc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)c(OC[C@@H]2CCOC2)c1 ZINC000552046300 505381120 /nfs/dbraw/zinc/38/11/20/505381120.db2.gz CNHQZIWMXPLLQJ-CWJKEVGVSA-N 2 0 358.526 3.373 20 0 FGADRP c1cn2c(n1)C[C@H]([NH2+][C@H]1CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]31)CC2 ZINC000552065581 505388941 /nfs/dbraw/zinc/38/89/41/505388941.db2.gz FXGXCSFLLRWHOF-LRSLUSHPSA-N 2 0 364.537 3.478 20 0 FGADRP CN(CC[N@H+](C)Cc1ccc2c(c1)CCC(C)(C)O2)C1CC[NH+](C)CC1 ZINC000561976467 505483201 /nfs/dbraw/zinc/48/32/01/505483201.db2.gz HMZVMMFEGLDLEG-UHFFFAOYSA-N 2 0 359.558 3.248 20 0 FGADRP CCCC[N@H+](CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1)C1CC1 ZINC000558763525 505486206 /nfs/dbraw/zinc/48/62/06/505486206.db2.gz ZMQDWRCLWVUKPI-UHFFFAOYSA-N 2 0 357.542 3.340 20 0 FGADRP CC[NH+]1CCN([C@H](C)C[NH2+]Cc2c(Cl)cc(Cl)cc2N(C)C)CC1 ZINC000562068299 505508945 /nfs/dbraw/zinc/50/89/45/505508945.db2.gz RCTOVLTVTJSHQL-CQSZACIVSA-N 2 0 373.372 3.175 20 0 FGADRP CCCOc1cc(C[NH2+]CC2(SC)CC[NH+](C)CC2)ccc1OC ZINC000562082514 505513460 /nfs/dbraw/zinc/51/34/60/505513460.db2.gz LKAQEVCASRVAPA-UHFFFAOYSA-N 2 0 352.544 3.401 20 0 FGADRP [NH3+][C@@H]1CCO[C@H](C2CC[NH+](Cc3ncc(-c4ccc(F)cc4)o3)CC2)C1 ZINC000564788415 505520317 /nfs/dbraw/zinc/52/03/17/505520317.db2.gz HWTNPMJIBIUTJW-MSOLQXFVSA-N 2 0 359.445 3.199 20 0 FGADRP Cc1cc(C(C)(C)C)ccc1OC[C@@H](O)C[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000564793070 505522078 /nfs/dbraw/zinc/52/20/78/505522078.db2.gz GEIRESNIVJEHBA-PXNSSMCTSA-N 2 0 360.542 3.106 20 0 FGADRP CC1CC[NH+](Cc2ccc(CNC(=O)c3ccc4c[nH+]cn4c3)cc2)CC1 ZINC000555842850 505525007 /nfs/dbraw/zinc/52/50/07/505525007.db2.gz PIDKIBACQFHVRI-UHFFFAOYSA-N 2 0 362.477 3.496 20 0 FGADRP NC1(C[NH2+][C@@H]2CCC[C@H]([C@@H]3CCOC3)C2)CC[NH+](Cc2ccccc2)CC1 ZINC000567652924 505525350 /nfs/dbraw/zinc/52/53/50/505525350.db2.gz SZEWZTWMOKAMCL-BHDDXSALSA-N 2 0 371.569 3.165 20 0 FGADRP C[C@@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)c1sccc1Br ZINC000564828042 505531140 /nfs/dbraw/zinc/53/11/40/505531140.db2.gz PORDBHMAPXMAJI-IYXRBSQSSA-N 2 0 372.376 3.378 20 0 FGADRP CCC[N@H+](C)[C@@H](CNC(=O)[C@@H]1CCC[NH+]1C1CC1)c1ccc(Cl)cc1 ZINC000552671112 505530779 /nfs/dbraw/zinc/53/07/79/505530779.db2.gz LUFYETKRURJIBS-OALUTQOASA-N 2 0 363.933 3.466 20 0 FGADRP O[C@H](C[NH2+]C1CC[NH+](CC2CC2)CC1)COc1ccc2ccccc2c1 ZINC000567679474 505533128 /nfs/dbraw/zinc/53/31/28/505533128.db2.gz YMVWIOQPDFRYBI-OAQYLSRUSA-N 2 0 354.494 3.044 20 0 FGADRP CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000567713034 505545890 /nfs/dbraw/zinc/54/58/90/505545890.db2.gz BSGHNNRTGJWBTL-MRXNPFEDSA-N 2 0 362.493 3.103 20 0 FGADRP CC(C)(C)[NH+]1CCC([NH2+]C[C@H](O)CO[C@H]2CCCc3ccccc32)CC1 ZINC000567725669 505550325 /nfs/dbraw/zinc/55/03/25/505550325.db2.gz DXJRARZMLWXTPP-FPOVZHCZSA-N 2 0 360.542 3.294 20 0 FGADRP COc1cncc(/C=C/CC[NH+]2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c1 ZINC000564901055 505554048 /nfs/dbraw/zinc/55/40/48/505554048.db2.gz ZBZZHSVQBFCXFO-MWAUBTQZSA-N 2 0 373.541 3.315 20 0 FGADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)c1ccc2c(c1)CC[NH2+]CC2 ZINC000567773823 505561843 /nfs/dbraw/zinc/56/18/43/505561843.db2.gz NWFDUZBWTDGGSX-UHFFFAOYSA-N 2 0 365.521 3.099 20 0 FGADRP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)N2CCc3ccccc3[C@@H]2C[NH3+])C1 ZINC000564938734 505561939 /nfs/dbraw/zinc/56/19/39/505561939.db2.gz SHCXGVQJODUBHH-OPYAIIAOSA-N 2 0 372.557 3.012 20 0 FGADRP C[C@@H](c1cc2ccccc2o1)N(C)C(=O)C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000567889657 505570073 /nfs/dbraw/zinc/57/00/73/505570073.db2.gz HLSBJBNNJDUYOW-QFBILLFUSA-N 2 0 369.509 3.274 20 0 FGADRP [NH3+]C[C@H](NC(=O)NC[C@H]1CCCC[N@@H+]1C1CC1)c1ccc2ccccc2c1 ZINC000582894732 506477171 /nfs/dbraw/zinc/47/71/71/506477171.db2.gz LZEUQJRQEYDIIA-RTWAWAEBSA-N 2 0 366.509 3.156 20 0 FGADRP O=C(NCC1([NH+]2CCCCC2)CCCCC1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000589204720 506482883 /nfs/dbraw/zinc/48/28/83/506482883.db2.gz SVHLVPLXCQAZTB-LJQANCHMSA-N 2 0 362.562 3.055 20 0 FGADRP CCC(CC)(CNC(=O)N[C@@H]1CCC[N@H+](C)C1)[NH2+][C@@H](C)c1ccccc1 ZINC000603593418 506569336 /nfs/dbraw/zinc/56/93/36/506569336.db2.gz GYSMHZCPCJAWJU-PKOBYXMFSA-N 2 0 360.546 3.289 20 0 FGADRP C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCCCC[NH2+]2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000583264272 506684902 /nfs/dbraw/zinc/68/49/02/506684902.db2.gz HCXDXBZPMPSFPJ-JLSDUUJJSA-N 2 0 367.896 3.120 20 0 FGADRP C[C@@H](OC[C@H](O)C[NH+]1CCC(C[NH+](C)C)CC1)c1ccc(Cl)cc1 ZINC000590125901 506743033 /nfs/dbraw/zinc/74/30/33/506743033.db2.gz RPQWSWBLPKWXRY-DNVCBOLYSA-N 2 0 354.922 3.052 20 0 FGADRP Cc1cc(C(C)(C)C)ccc1OC[C@H](O)C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000590125808 506743782 /nfs/dbraw/zinc/74/37/82/506743782.db2.gz NMHFLCXIUWLFRP-HXUWFJFHSA-N 2 0 362.558 3.306 20 0 FGADRP O[C@H](C[NH2+]C1CC[NH+](C2CCCCC2)CC1)COc1cccc2[nH]ccc21 ZINC000583376480 506746600 /nfs/dbraw/zinc/74/66/00/506746600.db2.gz PLQHRVIMUNJDSR-LJQANCHMSA-N 2 0 371.525 3.294 20 0 FGADRP COC(=O)c1ccc(CNC[C@H]2CC[N@H+](CCc3ccccc3)C2)cc1F ZINC000597053362 506752626 /nfs/dbraw/zinc/75/26/26/506752626.db2.gz IXUYLUREVNTAPT-LJQANCHMSA-N 2 0 370.468 3.267 20 0 FGADRP CCN(CC(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1)Cc1ccccc1Cl ZINC000583439005 506780760 /nfs/dbraw/zinc/78/07/60/506780760.db2.gz REIYOONAVGAKLS-QGZVFWFLSA-N 2 0 363.933 3.010 20 0 FGADRP C[C@H]1CCN(Cc2ccnn2-c2cc[nH+]cc2)C[C@@H]1C(=O)OC(C)(C)C ZINC000597153589 506800956 /nfs/dbraw/zinc/80/09/56/506800956.db2.gz HANMUBAGACWBNK-YJBOKZPZSA-N 2 0 356.470 3.067 20 0 FGADRP CCc1ccc([C@H](CNC(=O)N[C@H]2CC23CC[NH2+]CC3)[NH+](CC)CC)cc1 ZINC000612981862 506849007 /nfs/dbraw/zinc/84/90/07/506849007.db2.gz GFVXKOYYQRHBIU-PMACEKPBSA-N 2 0 372.557 3.073 20 0 FGADRP C[NH+](C)CC[C@@H](NC(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1)C(C)(C)C ZINC000604789096 506943769 /nfs/dbraw/zinc/94/37/69/506943769.db2.gz XFEHLSIWARLKAU-VQTJNVASSA-N 2 0 374.573 3.489 20 0 FGADRP C[NH+](C)CC[C@@H](NC(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1)C(C)(C)C ZINC000604789097 506944520 /nfs/dbraw/zinc/94/45/20/506944520.db2.gz XFEHLSIWARLKAU-WOJBJXKFSA-N 2 0 374.573 3.489 20 0 FGADRP CC(C)[N@H+](C)CC1CC[NH+](C[C@@H](O)CO[C@@H]2CCCc3ccccc32)CC1 ZINC000590819043 506979647 /nfs/dbraw/zinc/97/96/47/506979647.db2.gz VCMSAYYREIKYGS-FYYLOGMGSA-N 2 0 374.569 3.494 20 0 FGADRP CC[C@@H](CC(=O)Nc1c[nH+]ccc1N1CCN(C)CC1)c1ccccc1 ZINC000590888079 507017730 /nfs/dbraw/zinc/01/77/30/507017730.db2.gz LYHFGYBWMXPEKN-KRWDZBQOSA-N 2 0 352.482 3.356 20 0 FGADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]C[C@@H](C(=O)OC(C)(C)C)C(C)C ZINC000594518612 507168942 /nfs/dbraw/zinc/16/89/42/507168942.db2.gz JXVPYSSSSGFWMB-GOSISDBHSA-N 2 0 358.486 3.279 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccccc1OCC[NH+]1CCCC[C@@H]1C ZINC000591423167 507244841 /nfs/dbraw/zinc/24/48/41/507244841.db2.gz GHFKXJSOSZHQDC-RBUKOAKNSA-N 2 0 373.541 3.154 20 0 FGADRP COC(=O)c1ccc(Cl)c(C[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)c1 ZINC000594734521 507260491 /nfs/dbraw/zinc/26/04/91/507260491.db2.gz ABRZEDDOCODDCJ-MRXNPFEDSA-N 2 0 350.890 3.338 20 0 FGADRP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)C1 ZINC000591538418 507281798 /nfs/dbraw/zinc/28/17/98/507281798.db2.gz RDRNEMBBZHUVOM-FPOVZHCZSA-N 2 0 372.557 3.243 20 0 FGADRP CC1(C)CN(C(=O)NCCC[NH+]2CCCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000591546320 507286887 /nfs/dbraw/zinc/28/68/87/507286887.db2.gz COTHVOAWCJEACG-UHFFFAOYSA-N 2 0 372.557 3.168 20 0 FGADRP CCC(CC)[C@@H](CNC(=O)N1CCC[C@@H]1C[NH+]1CCCC1)[NH+]1CCCC1 ZINC000591553463 507289655 /nfs/dbraw/zinc/28/96/55/507289655.db2.gz GJFWGAYQFRCQCH-WOJBJXKFSA-N 2 0 364.578 3.157 20 0 FGADRP CC[NH+](CC)Cc1ccccc1CNC(=O)N1CCC[C@H]([NH2+]C(C)C)C1 ZINC000601222685 507301004 /nfs/dbraw/zinc/30/10/04/507301004.db2.gz KESMABCGJYOHJB-FQEVSTJZSA-N 2 0 360.546 3.200 20 0 FGADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N1CCN(Cc2ccccc2)C[C@@H]1C ZINC000605959894 507312637 /nfs/dbraw/zinc/31/26/37/507312637.db2.gz BIVSGRWWPUUECI-AABGKKOBSA-N 2 0 372.557 3.023 20 0 FGADRP C[NH+]1CCC(CNC(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)CC1 ZINC000591617573 507315043 /nfs/dbraw/zinc/31/50/43/507315043.db2.gz ZFNLKFALGYAOBX-UHFFFAOYSA-N 2 0 358.530 3.178 20 0 FGADRP Cc1ccc([C@@H](CNC(=O)N(C)[C@@H]2CC[N@@H+](C3CC3)C2)[NH+]2CCCC2)cc1 ZINC000601290284 507324759 /nfs/dbraw/zinc/32/47/59/507324759.db2.gz KASFSTFWBPGHOX-NHCUHLMSSA-N 2 0 370.541 3.010 20 0 FGADRP COc1ccc(C)cc1NC(=O)[C@H](c1ccccc1)N1CCC[C@H](C[NH3+])C1 ZINC000584409844 507330234 /nfs/dbraw/zinc/33/02/34/507330234.db2.gz BGHHWVSVSCJGRN-UTKZUKDTSA-N 2 0 367.493 3.354 20 0 FGADRP COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000595001548 507348139 /nfs/dbraw/zinc/34/81/39/507348139.db2.gz WXKQDULYVMMZED-GSEOLPGOSA-N 2 0 356.510 3.076 20 0 FGADRP C[C@@H](CSCCF)[NH2+]Cc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000595003751 507351303 /nfs/dbraw/zinc/35/13/03/507351303.db2.gz LLEVHGZVEWQGIV-YESZJQIVSA-N 2 0 354.535 3.477 20 0 FGADRP [NH3+][C@@H]1C[C@H]([NH2+][C@@H]2CCc3nnc(-c4ccc(F)cc4)n3C2)c2ccccc21 ZINC000584523949 507393047 /nfs/dbraw/zinc/39/30/47/507393047.db2.gz PGJPUVSTEVJYRF-LZQZEXGQSA-N 2 0 363.440 3.133 20 0 FGADRP CCC[NH+](CCC)CCCNC(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000606669122 507476944 /nfs/dbraw/zinc/47/69/44/507476944.db2.gz HAFSRPCQCZQMSO-UHFFFAOYSA-N 2 0 352.567 3.158 20 0 FGADRP C[C@H](NC(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1)C1CC[NH+](C)CC1 ZINC000606703611 507487901 /nfs/dbraw/zinc/48/79/01/507487901.db2.gz YBKAJQJVAHYSSQ-CEXWTWQISA-N 2 0 364.578 3.013 20 0 FGADRP O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000584776684 507500006 /nfs/dbraw/zinc/50/00/06/507500006.db2.gz GGGFGFKUXIVCEI-FRIKZZABSA-N 2 0 369.553 3.074 20 0 FGADRP COC(=O)c1cc(CN(C)CCC[N@H+](C)Cc2ccco2)n2c1CCCC2 ZINC000598672858 507544553 /nfs/dbraw/zinc/54/45/53/507544553.db2.gz UKFYYFSTAUOCCF-UHFFFAOYSA-N 2 0 373.497 3.158 20 0 FGADRP C[C@H](C(=O)N1CCC[N@H+](Cc2ccccc2)C[C@@H]1C)[NH+]1CCCCCC1 ZINC000607088669 507608744 /nfs/dbraw/zinc/60/87/44/507608744.db2.gz NWFSZSFGRIISCT-VQTJNVASSA-N 2 0 357.542 3.374 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCC[NH+](Cc3ccccc3)C2)C[C@@H]1C ZINC000607123792 507621445 /nfs/dbraw/zinc/62/14/45/507621445.db2.gz PARSLYJUILRARC-JBACZVJFSA-N 2 0 357.542 3.230 20 0 FGADRP CN(C(=O)[C@@H]1CCC[NH+](CCc2ccccc2)C1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000614728044 507636735 /nfs/dbraw/zinc/63/67/35/507636735.db2.gz BZDGOOLLCVLHGR-IZCSPVGOSA-N 2 0 369.553 3.025 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)NCCC[NH+]1CCCCC1 ZINC000607227767 507658999 /nfs/dbraw/zinc/65/89/99/507658999.db2.gz NIHCVAGVAMLUDW-HXUWFJFHSA-N 2 0 372.557 3.168 20 0 FGADRP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)C1 ZINC000592506012 507684365 /nfs/dbraw/zinc/68/43/65/507684365.db2.gz DBJPGUKPIGNRHG-KURKYZTESA-N 2 0 364.578 3.059 20 0 FGADRP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)N1CCC(C[NH+](CC)CC)CC1 ZINC000595816033 507698664 /nfs/dbraw/zinc/69/86/64/507698664.db2.gz BMAKGSNNXWKGMM-FQEVSTJZSA-N 2 0 366.594 3.404 20 0 FGADRP Cc1nc(NC[C@@H]2CC[N@@H+](C(C)C)C2)cc(NC[C@@H]2CC[NH+](C(C)C)C2)[nH+]1 ZINC000533101233 562498529 /nfs/dbraw/zinc/49/85/29/562498529.db2.gz KTTODMAIWOBOQQ-OALUTQOASA-N 3 0 374.577 3.069 20 0 FGADRP [NH3+]C1(CNC(=O)Nc2ccc(F)cc2F)CC[NH+](Cc2ccccc2)CC1 ZINC000623069028 568166761 /nfs/dbraw/zinc/16/67/61/568166761.db2.gz SGANVCATVPFDDD-UHFFFAOYSA-N 2 0 374.435 3.080 20 0 FGADRP CO[C@@]1(C(F)(F)F)CCC[N@H+](Cc2cccc(CN3CCOCC3)c2)C1 ZINC000643252196 568377870 /nfs/dbraw/zinc/37/78/70/568377870.db2.gz MPMGZDQKGWDNIN-SFHVURJKSA-N 2 0 372.431 3.062 20 0 FGADRP CC(C)[N@H+](C)Cc1cccc(C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)c1 ZINC000820112297 607476410 /nfs/dbraw/zinc/47/64/10/607476410.db2.gz QQYHBYUVKAPJGB-UHFFFAOYSA-N 2 0 368.460 3.136 20 0 FGADRP C[NH+]1CCN(CCC[NH2+]Cc2c(Cl)ccc(Cl)c2Cl)CC1 ZINC000035055025 695751954 /nfs/dbraw/zinc/75/19/54/695751954.db2.gz HWHAULZNUDVBIA-UHFFFAOYSA-N 2 0 350.721 3.374 20 0 FGADRP COc1cc(Br)c(C[NH2+][C@@H](C)C2CC[NH+](C)CC2)cc1OC ZINC000089549451 700392098 /nfs/dbraw/zinc/39/20/98/700392098.db2.gz UKFNPFIGDCFUJM-LBPRGKRZSA-N 2 0 371.319 3.286 20 0 FGADRP COc1ccc([C@H](C)[NH2+][C@@H](C)C[S@](C)=O)cc1C[NH+]1CCCCC1 ZINC000184299762 705928703 /nfs/dbraw/zinc/92/87/03/705928703.db2.gz BXOCWTBPCNGABT-YWTKSJFSSA-N 2 0 352.544 3.099 20 0 FGADRP COC(=O)N1CCC([C@@H](C)[NH2+]C2CC[NH+](C3CCCCC3)CC2)CC1 ZINC000186772654 712726127 /nfs/dbraw/zinc/72/61/27/712726127.db2.gz DZTNYSNNQLIFCR-MRXNPFEDSA-N 2 0 351.535 3.240 20 0 FGADRP CC(C)(C)OC(=O)N1CC=C(C[NH2+]C2CC[NH+](C(C)(C)C)CC2)CC1 ZINC000187748336 712753413 /nfs/dbraw/zinc/75/34/13/712753413.db2.gz FQPBMIFEMGCNFK-UHFFFAOYSA-N 2 0 351.535 3.406 20 0 FGADRP CC1CC[NH+](CCCCNC(=O)NC2CC[NH+](C(C)(C)C)CC2)CC1 ZINC000193840790 713501438 /nfs/dbraw/zinc/50/14/38/713501438.db2.gz MOYCGTTZGQMKTF-UHFFFAOYSA-N 2 0 352.567 3.061 20 0 FGADRP CC(C)(C)OC(=O)N1CC[C@@](C)(C[NH2+]C2CC[NH+](CC3CC3)CC2)C1 ZINC000195191463 713548388 /nfs/dbraw/zinc/54/83/88/713548388.db2.gz ILBSUGBWRDTNAI-FQEVSTJZSA-N 2 0 351.535 3.098 20 0 FGADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](C)C[C@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000246581910 713626723 /nfs/dbraw/zinc/62/67/23/713626723.db2.gz SEWJCYSOFRLGNC-KZNAEPCWSA-N 2 0 353.551 3.486 20 0 FGADRP [NH3+][C@@H]1CCC[C@H]1CC(=O)N[C@@H]1CCCN(Cc2ccc(F)cc2Cl)C1 ZINC000261874361 713715404 /nfs/dbraw/zinc/71/54/04/713715404.db2.gz YDUVCIPBXHUVRF-FDQGKXFDSA-N 2 0 367.896 3.077 20 0 FGADRP C[C@@H]([NH2+]C[C@]1(C)CCCN(C(=O)OC(C)(C)C)C1)C1CC[NH+](C)CC1 ZINC000305588142 713793318 /nfs/dbraw/zinc/79/33/18/713793318.db2.gz CPBUOWZJVSDYMW-UZLBHIALSA-N 2 0 353.551 3.344 20 0 FGADRP Cc1cc(Br)ccc1[C@@H](C)[NH2+]C[C@@H](C)N1CC[NH+](C)CC1 ZINC000641775984 717928807 /nfs/dbraw/zinc/92/88/07/717928807.db2.gz QXBLZUZLRRLOBU-HUUCEWRRSA-N 2 0 354.336 3.044 20 0 FGADRP Cc1nnc(N2CCC([NH2+]CCCC[N@H+]3CCCC[C@H]3C)CC2)s1 ZINC000374720726 713940957 /nfs/dbraw/zinc/94/09/57/713940957.db2.gz XGYAFNOABJSYHE-OAHLLOKOSA-N 2 0 351.564 3.060 20 0 FGADRP C[C@@H]([NH2+]CC1(C)CC[NH+](C)CC1)[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000386575509 713985311 /nfs/dbraw/zinc/98/53/11/713985311.db2.gz NBVNZIUUVCTGHL-IAGOWNOFSA-N 2 0 353.551 3.486 20 0 FGADRP C[C@@H]([NH2+]C[C@H](O)COc1c(Cl)cccc1Cl)C1CC[NH+](C)CC1 ZINC000396460439 713991305 /nfs/dbraw/zinc/99/13/05/713991305.db2.gz POZHKRVGRIVAQS-OCCSQVGLSA-N 2 0 361.313 3.053 20 0 FGADRP C[C@H]([NH2+]C[C@@H](O)COc1cc(Cl)ccc1Cl)C1CC[NH+](C)CC1 ZINC000396455816 713991351 /nfs/dbraw/zinc/99/13/51/713991351.db2.gz MQKYLGJTQARGAT-SWLSCSKDSA-N 2 0 361.313 3.053 20 0 FGADRP C[C@@H]1CCC[C@H](C)[NH+]1CCNC(=O)NCCCC[N@H+]1CCC[C@H](C)C1 ZINC000521682862 714141584 /nfs/dbraw/zinc/14/15/84/714141584.db2.gz KTALOEUSAXZOSZ-GBESFXJTSA-N 2 0 352.567 3.061 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1)c1ccsc1 ZINC000522080405 714169390 /nfs/dbraw/zinc/16/93/90/714169390.db2.gz CVEJKPCATUYZKV-ZWKOTPCHSA-N 2 0 364.559 3.009 20 0 FGADRP Clc1cc(Cl)cc(OCC[NH+]2CCC(C[NH+]3CCOCC3)CC2)c1 ZINC000525120360 714321274 /nfs/dbraw/zinc/32/12/74/714321274.db2.gz OTAPJMSJFZRAPG-UHFFFAOYSA-N 2 0 373.324 3.416 20 0 FGADRP CC[NH+](CC)CC1CCN(C(=O)NC2CC[NH+](C(C)(C)C)CC2)CC1 ZINC000615755172 714548407 /nfs/dbraw/zinc/54/84/07/714548407.db2.gz PMORHZUFAAIWII-UHFFFAOYSA-N 2 0 352.567 3.013 20 0 FGADRP Cc1cc(C[NH2+][C@H](C)C2CC[NH+](C)CC2)ccc1I ZINC000619611442 714857055 /nfs/dbraw/zinc/85/70/55/714857055.db2.gz XCAKIAJLMUMWFY-CYBMUJFWSA-N 2 0 372.294 3.420 20 0 FGADRP CCCc1ccc(C[NH2+]Cc2cccc(C(=O)NCC[NH+](C)C)c2)s1 ZINC000621333515 714981999 /nfs/dbraw/zinc/98/19/99/714981999.db2.gz GYMRDEQJEGDHBP-UHFFFAOYSA-N 2 0 359.539 3.282 20 0 FGADRP COc1cc(Cl)ccc1[C@@H](C)[NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000643346122 718025727 /nfs/dbraw/zinc/02/57/27/718025727.db2.gz AHAHSFOMKHMVRJ-ZBFHGGJFSA-N 2 0 351.922 3.168 20 0 FGADRP COC[C@H](CCC[NH3+])[NH2+]C1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 ZINC000643458564 718035093 /nfs/dbraw/zinc/03/50/93/718035093.db2.gz DVHQNAXYLSAMTC-MXWKQRLJSA-N 2 0 350.347 3.239 20 0 FGADRP C[NH+](C)[C@@H](CNC(=O)NC[C@@H]1CC[N@@H+]1C1CCCCC1)c1ccsc1 ZINC000623409332 715329405 /nfs/dbraw/zinc/32/94/05/715329405.db2.gz ZDKAMYZSCABXFZ-ROUUACIJSA-N 2 0 364.559 3.057 20 0 FGADRP C[NH+]1CCN(CCC[NH2+][C@@H]2CCCC[C@H]2Sc2ccc(F)cc2)CC1 ZINC000623854118 715415502 /nfs/dbraw/zinc/41/55/02/715415502.db2.gz SQSCYGBYALMKIN-WOJBJXKFSA-N 2 0 365.562 3.456 20 0 FGADRP Cc1ccc(Br)cc1[C@H](C)[NH2+][C@@H](C)CCN1CC[NH+](C)CC1 ZINC000623963401 715442099 /nfs/dbraw/zinc/44/20/99/715442099.db2.gz GQUFYOWFOZIGSW-HOTGVXAUSA-N 2 0 368.363 3.434 20 0 FGADRP C[C@H]([NH2+]C[C@H]1CCCN1CC(F)F)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000624096061 715471712 /nfs/dbraw/zinc/47/17/12/715471712.db2.gz SFRJGQNJUVCCFG-YTQUADARSA-N 2 0 351.485 3.216 20 0 FGADRP CC(C)[NH+]1CCN(CCC[NH2+]C2(c3c(F)cccc3F)CCC2)CC1 ZINC000626179208 715865001 /nfs/dbraw/zinc/86/50/01/715865001.db2.gz ZWXGWSMJXNQEDD-UHFFFAOYSA-N 2 0 351.485 3.350 20 0 FGADRP C[NH+]1CCC(C)(C[NH2+]Cc2ccccc2I)CC1 ZINC000779985206 724439575 /nfs/dbraw/zinc/43/95/75/724439575.db2.gz ADVKVHBONNOLDW-UHFFFAOYSA-N 2 0 358.267 3.113 20 0 FGADRP C[NH+](C)C[C@@H](NC(=O)NC1(C)CC[NH2+]CC1)c1ccc(Cl)c(Cl)c1 ZINC000627220068 716009018 /nfs/dbraw/zinc/00/90/18/716009018.db2.gz KLBRVRCTKKPTHF-OAHLLOKOSA-N 2 0 373.328 3.037 20 0 FGADRP CC1(C)C[N@H+](CCCCCCCCC[NH+]2C[C@@H](O)C(C)(C)C2)C[C@@H]1O ZINC000790448478 723141351 /nfs/dbraw/zinc/14/13/51/723141351.db2.gz BNERMLLWIVKFHI-KDURUIRLSA-N 2 0 354.579 3.123 20 0 FGADRP [NH3+]C1(C[NH2+][C@@H]2CCCCc3ccc(Br)cc32)CCOCC1 ZINC000629521456 716302958 /nfs/dbraw/zinc/30/29/58/716302958.db2.gz QQTCHVSKZFKITM-MRXNPFEDSA-N 2 0 353.304 3.314 20 0 FGADRP Fc1cc2[nH]cc(CC[NH2+][C@@H]3CCOC[C@H]3[C@@H]3CCC[NH2+]3)c2cc1Cl ZINC000629544773 716304994 /nfs/dbraw/zinc/30/49/94/716304994.db2.gz JIFBEWZTRDSMIC-JCGIZDLHSA-N 2 0 365.880 3.250 20 0 FGADRP O[C@@H](C[NH2+]C[C@H]1CCN1C1CCCCC1)COCc1ccccc1Cl ZINC000629609126 716321165 /nfs/dbraw/zinc/32/11/65/716321165.db2.gz WRXDJOWSMJNKGN-MOPGFXCFSA-N 2 0 366.933 3.214 20 0 FGADRP O[C@@H](C[NH2+]C[C@@H]1CCN1C1CCCCC1)COCc1ccccc1Cl ZINC000629609127 716321499 /nfs/dbraw/zinc/32/14/99/716321499.db2.gz WRXDJOWSMJNKGN-OALUTQOASA-N 2 0 366.933 3.214 20 0 FGADRP CC1(C)C[NH2+]CC[C@@H]([NH2+]C2CCN(C(=O)c3ccccc3Cl)CC2)C1 ZINC000634732991 717111712 /nfs/dbraw/zinc/11/17/12/717111712.db2.gz TXCBHGKSUMVUTC-MRXNPFEDSA-N 2 0 363.933 3.312 20 0 FGADRP O=C(NC[C@H]1CCC[N@H+](Cc2cccs2)C1)[C@H]1CC[NH+]1C1CCCC1 ZINC000635454189 717172046 /nfs/dbraw/zinc/17/20/46/717172046.db2.gz UNBJOAKZKHSFHS-VQIMIIECSA-N 2 0 361.555 3.093 20 0 FGADRP CCC[N@H+](C)[C@H](CNC(=O)C[C@@H]1CC[NH+](C)C1)c1ccc(Cl)cc1 ZINC000635914920 717209937 /nfs/dbraw/zinc/20/99/37/717209937.db2.gz QRXAYPQEOLHRKW-MAUKXSAKSA-N 2 0 351.922 3.181 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](CC(C)(C)N2CCOCC2)CC1 ZINC000638154198 717414869 /nfs/dbraw/zinc/41/48/69/717414869.db2.gz RWWORXCDFDTING-LJQANCHMSA-N 2 0 351.579 3.074 20 0 FGADRP CO[C@H](C[NH2+]CC1CC[NH+](Cc2ccccc2Cl)CC1)[C@H]1CCOC1 ZINC000638529810 717454643 /nfs/dbraw/zinc/45/46/43/717454643.db2.gz FLUMVLDTYSUQJI-AZUAARDMSA-N 2 0 366.933 3.193 20 0 FGADRP CC(C)(O)C[NH+]1CCC([NH2+]CCc2nc3cc(Cl)ccc3s2)CC1 ZINC000638762878 717483441 /nfs/dbraw/zinc/48/34/41/717483441.db2.gz MFIFXWIXMMHKMT-UHFFFAOYSA-N 2 0 367.946 3.317 20 0 FGADRP C[C@@H]1CCC[N@H+](CCCC[NH2+]C[C@@H](O)COc2ccccc2Cl)C1 ZINC000644521959 718118019 /nfs/dbraw/zinc/11/80/19/718118019.db2.gz JTBOLNFMQLRTTI-IAGOWNOFSA-N 2 0 354.922 3.181 20 0 FGADRP C[N@H+]1CC=C(C[NH2+]Cc2cc(OC(F)F)ccc2Br)CC1 ZINC000647199515 718339535 /nfs/dbraw/zinc/33/95/35/718339535.db2.gz GGMCSGHJVALVJY-UHFFFAOYSA-N 2 0 361.230 3.402 20 0 FGADRP C[C@@H](C[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2)c1cccc(Br)c1 ZINC000647545461 718366918 /nfs/dbraw/zinc/36/69/18/718366918.db2.gz OZLQOMUNMJKXLP-HOCLYGCPSA-N 2 0 367.331 3.240 20 0 FGADRP COc1cc(Br)ccc1CCC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000647793722 718377969 /nfs/dbraw/zinc/37/79/69/718377969.db2.gz GDVPHGBTOFCAQH-ZMSDIMECSA-N 2 0 367.331 3.368 20 0 FGADRP C[C@H](C(=O)Nc1cc(F)ccc1F)[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647977031 718391245 /nfs/dbraw/zinc/39/12/45/718391245.db2.gz XEXQRMYSRFTSCK-KFWWJZLASA-N 2 0 351.441 3.003 20 0 FGADRP C[C@@H](CCNC(=O)[C@H]([NH3+])c1cccc(Cl)c1)[N@H+](C)Cc1ccccc1 ZINC000649347432 718506345 /nfs/dbraw/zinc/50/63/45/718506345.db2.gz WYSPCIWDEGADAR-HNAYVOBHSA-N 2 0 359.901 3.367 20 0 FGADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2Cc2ccc(Br)s2)C1 ZINC000650721886 718720141 /nfs/dbraw/zinc/72/01/41/718720141.db2.gz FAHYUVNGDQGMHY-XBFCOCLRSA-N 2 0 359.333 3.371 20 0 FGADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@@H+]2Cc2cccc(OC(F)(F)F)c2)C1 ZINC000650723255 718720762 /nfs/dbraw/zinc/72/07/62/718720762.db2.gz KKPPDPYDFURYDN-DJIMGWMZSA-N 2 0 358.404 3.446 20 0 FGADRP Cn1c2cc(Cl)ccc2nc1C[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000650723540 718720804 /nfs/dbraw/zinc/72/08/04/718720804.db2.gz PUUMGSRRVQWOQF-KYJSFNMBSA-N 2 0 362.905 3.088 20 0 FGADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@@H+]2CCC(=O)Nc2ccc(Cl)cc2)C1 ZINC000652361796 718936849 /nfs/dbraw/zinc/93/68/49/718936849.db2.gz PMFPAYFZVDJQEY-BPQIPLTHSA-N 2 0 365.905 3.029 20 0 FGADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@@H+]2CCOc2ccc(Cl)c(F)c2)C1 ZINC000652363926 718937389 /nfs/dbraw/zinc/93/73/89/718937389.db2.gz SISDMMOWIGOMPT-FSPWUOQZSA-N 2 0 356.869 3.219 20 0 FGADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2cccc(Br)c2OC(F)F)C1 ZINC000655827254 719345177 /nfs/dbraw/zinc/34/51/77/719345177.db2.gz OZZDTCQNHBXBGB-KLPPZKSPSA-N 2 0 363.246 3.480 20 0 FGADRP [NH3+][C@H]1CCC[C@@H]([NH2+]CC2(c3cccc(Br)c3)CCOCC2)C1 ZINC000656197743 719373105 /nfs/dbraw/zinc/37/31/05/719373105.db2.gz GMDJKXIPFDTFGV-DLBZAZTESA-N 2 0 367.331 3.357 20 0 FGADRP Clc1ccc(C[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)c(-n2cncn2)c1 ZINC000656782029 719470075 /nfs/dbraw/zinc/47/00/75/719470075.db2.gz CXRIXRQVKOMBPZ-MRXNPFEDSA-N 2 0 359.905 3.132 20 0 FGADRP C([NH2+][C@H]1CCC[C@@H]([C@@H]2CCOC2)C1)C1CC[NH+](C2CCOCC2)CC1 ZINC000657537401 719668072 /nfs/dbraw/zinc/66/80/72/719668072.db2.gz JTVGIFUNFKEMDM-AQNXPRMDSA-N 2 0 350.547 3.062 20 0 FGADRP C[NH+]1CCN(c2cccc(Cl)c2CN[C@H]2CC[N@@H+](C(C)(C)C)C2)CC1 ZINC000657563376 719674434 /nfs/dbraw/zinc/67/44/34/719674434.db2.gz NPKGSNZSSVUZQK-INIZCTEOSA-N 2 0 364.965 3.054 20 0 FGADRP COC[C@@H](CC1CCOCC1)[NH2+]C1CCC([NH+]2CCC(C)CC2)CC1 ZINC000657931224 719732985 /nfs/dbraw/zinc/73/29/85/719732985.db2.gz FVZVIXMRJOEALC-NYLDSWQDSA-N 2 0 352.563 3.451 20 0 FGADRP Cc1nc2c(s1)[C@H]([NH2+]Cc1ccc(C[N@@H+]3CC[C@H](O)C3)cc1)CCC2 ZINC000658143685 719762657 /nfs/dbraw/zinc/76/26/57/719762657.db2.gz ZTFCLLVROFUOGQ-ZWKOTPCHSA-N 2 0 357.523 3.185 20 0 FGADRP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]CC(C)(C)[C@]2(O)CCCOC2)CC1 ZINC000658308246 719783814 /nfs/dbraw/zinc/78/38/14/719783814.db2.gz CVVXDHWYALHUAN-QFUCXCTJSA-N 2 0 352.563 3.187 20 0 FGADRP CN(CC(C)(C)[NH3+])C(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000659024818 719850954 /nfs/dbraw/zinc/85/09/54/719850954.db2.gz KESRMRHBVZPQCW-UHFFFAOYSA-N 2 0 350.532 3.076 20 0 FGADRP Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)C1([NH3+])CC2(CCC2)C1 ZINC000659284027 719890101 /nfs/dbraw/zinc/89/01/01/719890101.db2.gz BIYNHPYGAVNNRZ-UHFFFAOYSA-N 2 0 359.539 3.144 20 0 FGADRP CC(C)[C@H]([NH3+])CCNC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000659427151 719913010 /nfs/dbraw/zinc/91/30/10/719913010.db2.gz LHLOGFJYGZNAPX-MSOLQXFVSA-N 2 0 366.937 3.150 20 0 FGADRP [NH3+]C1(CNC(=O)NC[C@H](c2cccc(Cl)c2)[NH+]2CCCC2)CCCC1 ZINC000659433800 719913560 /nfs/dbraw/zinc/91/35/60/719913560.db2.gz GGDISJHDINCGQZ-QGZVFWFLSA-N 2 0 364.921 3.048 20 0 FGADRP CC[NH+](CC)CC1CC[NH+](C[C@@H]2CCCN(C(=O)C(C)(C)C)C2)CC1 ZINC000659842541 719943071 /nfs/dbraw/zinc/94/30/71/719943071.db2.gz BOYMYJZQTPQPLP-IBGZPJMESA-N 2 0 351.579 3.325 20 0 FGADRP O=C1Nc2ccccc2S[C@H]1CC[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000659946030 719961979 /nfs/dbraw/zinc/96/19/79/719961979.db2.gz YUNFUIZFOXQARZ-LPHOPBHVSA-N 2 0 359.539 3.440 20 0 FGADRP O=C1Nc2ccccc2S[C@H]1CC[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000659957588 719963473 /nfs/dbraw/zinc/96/34/73/719963473.db2.gz VGQYTZABHOHIPU-APWZRJJASA-N 2 0 359.539 3.297 20 0 FGADRP C[C@@H]1CN(CC[NH+]2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)C[C@@H](C)O1 ZINC000660007127 719971057 /nfs/dbraw/zinc/97/10/57/719971057.db2.gz HFRZQOYEGWPHRA-VAMGGRTRSA-N 2 0 351.579 3.072 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1)c1ccsc1 ZINC000660338742 720033081 /nfs/dbraw/zinc/03/30/81/720033081.db2.gz LWZJAZDUXPHLBE-IRXDYDNUSA-N 2 0 366.575 3.303 20 0 FGADRP C[N@@H+]1CC[C@]2(C1)CCC[NH+](C[C@@H](O)Cc1ccc(C(F)(F)F)cc1)C2 ZINC000660656952 720092541 /nfs/dbraw/zinc/09/25/41/720092541.db2.gz CHMMIDRHWHQTQJ-ROUUACIJSA-N 2 0 356.432 3.027 20 0 FGADRP C[C@H](OC[C@H](O)C[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1)c1ccc(Cl)cc1 ZINC000660657643 720092600 /nfs/dbraw/zinc/09/26/00/720092600.db2.gz ZAKLTRIATHRCHB-PWIZWCRZSA-N 2 0 366.933 3.196 20 0 FGADRP COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1cc(OC(C)C)cc[nH+]1)C2 ZINC001164809125 720126085 /nfs/dbraw/zinc/12/60/85/720126085.db2.gz HGRKNLUSZQBWLG-GHTZIAJQSA-N 2 0 359.514 3.054 20 0 FGADRP CCN(C[C@@H]1CC[N@H+](Cc2cccc3c2CC[NH2+]C3)C1)CC(F)(F)F ZINC000662263839 720406880 /nfs/dbraw/zinc/40/68/80/720406880.db2.gz OYKXZBANEQQJKD-HNNXBMFYSA-N 2 0 355.448 3.038 20 0 FGADRP Fc1ccc(CCC2CC[NH+](C[C@@H]3CCC4(C[NH2+]C4)O3)CC2)c(F)c1 ZINC000662283668 720409930 /nfs/dbraw/zinc/40/99/30/720409930.db2.gz ITVILELGGNHBFD-SFHVURJKSA-N 2 0 350.453 3.130 20 0 FGADRP Clc1ccc(C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)c(-n2cncn2)c1 ZINC000663343826 720503246 /nfs/dbraw/zinc/50/32/46/720503246.db2.gz GEKPYMRSXUWRPU-INIZCTEOSA-N 2 0 359.905 3.132 20 0 FGADRP C[C@@H](CCNC(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1)[NH+](C)C ZINC000663617798 720530762 /nfs/dbraw/zinc/53/07/62/720530762.db2.gz HNZOZOYKCMAXHX-MAUKXSAKSA-N 2 0 366.937 3.116 20 0 FGADRP Clc1ccc(-n2cc(C[NH2+][C@@H]3C[C@H]3C3CC[NH2+]CC3)nn2)c(Cl)c1 ZINC000666927964 721001361 /nfs/dbraw/zinc/00/13/61/721001361.db2.gz ZAINWDWBLHTHKG-GOEBONIOSA-N 2 0 366.296 3.052 20 0 FGADRP Brc1ccc(-c2c[nH]c(C[NH2+][C@@H]3CC34CC[NH2+]CC4)n2)cc1 ZINC000666954290 721005111 /nfs/dbraw/zinc/00/51/11/721005111.db2.gz UBPDSCKXHQXLPG-OAHLLOKOSA-N 2 0 361.287 3.071 20 0 FGADRP C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000666954091 721005347 /nfs/dbraw/zinc/00/53/47/721005347.db2.gz PMOORBMJWGHQCM-IUODEOHRSA-N 2 0 355.404 3.154 20 0 FGADRP Fc1cccc(Cl)c1CN1CCC([NH2+][C@@H]2CC23CC[NH2+]CC3)CC1 ZINC000666954172 721005351 /nfs/dbraw/zinc/00/53/51/721005351.db2.gz RCMJVVUJIQFFCB-GOSISDBHSA-N 2 0 351.897 3.175 20 0 FGADRP Cc1[nH+]c(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)cc2[nH]ccc21 ZINC001164904651 721549661 /nfs/dbraw/zinc/54/96/61/721549661.db2.gz FWZLGJFUFCBRKZ-FUHWJXTLSA-N 2 0 366.440 3.352 20 0 FGADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]C[C@@H](CO)c1ccc(Cl)cc1 ZINC000673616814 721668218 /nfs/dbraw/zinc/66/82/18/721668218.db2.gz KNJXOQKXIUFXSB-KRWDZBQOSA-N 2 0 356.857 3.095 20 0 FGADRP C[C@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)c1nc(-c2ccccc2)cs1 ZINC000675741453 721771561 /nfs/dbraw/zinc/77/15/61/721771561.db2.gz GDGVKIRDLPISIT-INIZCTEOSA-N 2 0 358.555 3.487 20 0 FGADRP CC[C@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)c1ccccc1OC(F)F ZINC000675741738 721771666 /nfs/dbraw/zinc/77/16/66/721771666.db2.gz HDQCKTYIJUSECK-INIZCTEOSA-N 2 0 355.473 3.355 20 0 FGADRP COc1ccc([C@@H](C)[NH2+][C@@H]2CCN(C3CC[NH+](C)CC3)C2)cc1Cl ZINC000675876661 721777487 /nfs/dbraw/zinc/77/74/87/721777487.db2.gz YVYQCDWIDSSDCA-GDBMZVCRSA-N 2 0 351.922 3.168 20 0 FGADRP C[NH+](C)CCOc1ccc(C[NH2+][C@@H]2CCOC3(CCSCC3)C2)cc1 ZINC000676356193 721797403 /nfs/dbraw/zinc/79/74/03/721797403.db2.gz KWBIAHYIIRAQBT-GOSISDBHSA-N 2 0 364.555 3.161 20 0 FGADRP C[C@@H]([NH2+]C[C@H](CO)Cc1ccc(C(F)(F)F)cc1)C1CC[NH+](C)CC1 ZINC000678601071 721966905 /nfs/dbraw/zinc/96/69/05/721966905.db2.gz YLXUHHXDTAITKX-GDBMZVCRSA-N 2 0 358.448 3.176 20 0 FGADRP C[NH+]1CCN(CCC(C)(C)[NH2+]Cc2c(Cl)ccc3cccnc32)CC1 ZINC000681136431 722183737 /nfs/dbraw/zinc/18/37/37/722183737.db2.gz SURPKQHVPXNOMO-UHFFFAOYSA-N 2 0 360.933 3.394 20 0 FGADRP C[C@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000700789131 722409902 /nfs/dbraw/zinc/40/99/02/722409902.db2.gz SZKMREOUBPMTTN-OKZBNKHCSA-N 2 0 353.551 3.486 20 0 FGADRP C[C@H](C[C@@H]1CCCN1C(=O)OC(C)(C)C)[NH2+]C[C@@H]1CCCC[N@H+](C)C1 ZINC000700802283 722409924 /nfs/dbraw/zinc/40/99/24/722409924.db2.gz HJQNIIVBGHLZJY-SQNIBIBYSA-N 2 0 353.551 3.486 20 0 FGADRP CCC[NH+]1CCC([NH2+][C@@H]2C[C@H]3C[C@@H](C2)N(C(=O)OC(C)(C)C)C3)CC1 ZINC000707914013 722412364 /nfs/dbraw/zinc/41/23/64/722412364.db2.gz YACUMKRXHBDGEF-JQHSSLGASA-N 2 0 351.535 3.238 20 0 FGADRP CCc1nc(C[NH2+]CCC2(O)CC[NH+](Cc3ccccc3)CC2)cs1 ZINC000717905135 722417856 /nfs/dbraw/zinc/41/78/56/722417856.db2.gz BXBOWPMBSRAUGC-UHFFFAOYSA-N 2 0 359.539 3.212 20 0 FGADRP C[N@@H+]1CCC[C@@H](C[NH2+]CC2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)C1 ZINC000720621507 722419404 /nfs/dbraw/zinc/41/94/04/722419404.db2.gz FGXIRYNIVDDHEX-OOKSDGMUSA-N 2 0 351.535 3.096 20 0 FGADRP CC[NH+](CC)Cc1cccc(NC(=S)NCC(C)(C)C[NH+](C)C)c1 ZINC000727074798 722440921 /nfs/dbraw/zinc/44/09/21/722440921.db2.gz AIQNXWLCEDDSKZ-UHFFFAOYSA-N 2 0 350.576 3.403 20 0 FGADRP C[NH+](C)CC(C)(C)CNC(=S)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000727076102 722441007 /nfs/dbraw/zinc/44/10/07/722441007.db2.gz CNLKQVZDPFCRTA-UHFFFAOYSA-N 2 0 368.635 3.037 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H](C)c1ccc(C)s1 ZINC000745735861 722590005 /nfs/dbraw/zinc/59/00/05/722590005.db2.gz KFAKVJWAEGFIRJ-IAGOWNOFSA-N 2 0 366.575 3.175 20 0 FGADRP C[NH+]1CCC([C@H]2CC[N@H+](CN3C(=O)C[C@@H]3c3ccc(Cl)cc3)C2)CC1 ZINC000755781346 722956848 /nfs/dbraw/zinc/95/68/48/722956848.db2.gz VCRDEKFEDFVMJT-PKOBYXMFSA-N 2 0 361.917 3.235 20 0 FGADRP C[NH+]1CCC([C@@H]2CC[N@H+](CN3C(=O)C[C@@H]3c3ccc(Cl)cc3)C2)CC1 ZINC000755781344 722956882 /nfs/dbraw/zinc/95/68/82/722956882.db2.gz VCRDEKFEDFVMJT-IEBWSBKVSA-N 2 0 361.917 3.235 20 0 FGADRP CC(C)(C)[NH+]1CCC([NH2+]C[C@@H](O)c2ccc(OC(F)(F)F)cc2)CC1 ZINC000765505176 723518232 /nfs/dbraw/zinc/51/82/32/723518232.db2.gz UMKSHZPMFYNLHD-MRXNPFEDSA-N 2 0 360.420 3.471 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CNC(=S)Nc1ccc(C[NH+](C)C)c(Cl)c1 ZINC000795019121 723556996 /nfs/dbraw/zinc/55/69/96/723556996.db2.gz TYONYTCMJYEIMO-OAHLLOKOSA-N 2 0 354.951 3.172 20 0 FGADRP CN(CCC1CC[NH+](CC[C@H]2CCC[N@@H+]2C)CC1)C(=O)OC(C)(C)C ZINC000769942104 723701700 /nfs/dbraw/zinc/70/17/00/723701700.db2.gz GXYPIZLLINZETC-GOSISDBHSA-N 2 0 353.551 3.440 20 0 FGADRP Cc1cc(C[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)cc(C)c1OC(F)F ZINC000799346908 724015955 /nfs/dbraw/zinc/01/59/55/724015955.db2.gz TYHKFKZZIDBNTP-UHFFFAOYSA-N 2 0 355.473 3.020 20 0 FGADRP CC[NH+](CC)Cc1cc([C@H](C)[NH2+]CC2([S@](C)=O)CC2)ccc1OC ZINC000799728814 724088594 /nfs/dbraw/zinc/08/85/94/724088594.db2.gz NJLURDYYBAEOPM-OWJWWREXSA-N 2 0 352.544 3.099 20 0 FGADRP C[C@@H]1C[N@@H+](CCCC[NH2+][C@H]2COCc3cccc(Cl)c32)C[C@H](C)O1 ZINC000788644449 725078274 /nfs/dbraw/zinc/07/82/74/725078274.db2.gz NLDCLRNTPWQPDR-DAYGRLMNSA-N 2 0 352.906 3.390 20 0 FGADRP CCCN(CC[NH+]1CCCCCC1)C(=S)NCC(C)(C)C[NH+](C)C ZINC000809161004 725232194 /nfs/dbraw/zinc/23/21/94/725232194.db2.gz NLCHWXYAOXGTRV-UHFFFAOYSA-N 2 0 356.624 3.037 20 0 FGADRP Cc1nn(C)c2nc(Cl)c(C[N@@H+]3CC[C@@H](C4CC[NH+](C)CC4)C3)cc12 ZINC000809755557 725265431 /nfs/dbraw/zinc/26/54/31/725265431.db2.gz KLOJVLPMTHOLBU-OAHLLOKOSA-N 2 0 361.921 3.094 20 0 FGADRP CSC1(C[NH2+][C@@H](C)c2cccc(N3CCOC3=O)c2)CC[NH+](C)CC1 ZINC000810253049 725299990 /nfs/dbraw/zinc/29/99/90/725299990.db2.gz YRMYMZVXLOEPMC-HNNXBMFYSA-N 2 0 363.527 3.121 20 0 FGADRP C[NH+](C)C[C@@H](NC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1)c1ccc(Cl)cc1 ZINC000811505148 725370529 /nfs/dbraw/zinc/37/05/29/725370529.db2.gz GVLJOQLCTKBMLR-APWZRJJASA-N 2 0 369.912 3.271 20 0 FGADRP C[N@H+](CCc1ccc(F)cc1Cl)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000811506801 725370679 /nfs/dbraw/zinc/37/06/79/725370679.db2.gz GGPMYPQRQUZOML-SFHVURJKSA-N 2 0 353.913 3.122 20 0 FGADRP CC[NH+]1CCC(C[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)CC[C@H]2C)CC1 ZINC000812718879 726806618 /nfs/dbraw/zinc/80/66/18/726806618.db2.gz PMAOLMVIKNYVQL-SJLPKXTDSA-N 2 0 353.551 3.344 20 0 FGADRP CS(=O)(=O)CC1CCC([NH2+]C2CC[NH+](CC3CCCCC3)CC2)CC1 ZINC000815571285 727084518 /nfs/dbraw/zinc/08/45/18/727084518.db2.gz ZSKJWHNWXGRIID-UHFFFAOYSA-N 2 0 370.603 3.224 20 0 FGADRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C[C@H](O)c1cccc(Br)c1 ZINC000817932759 727288395 /nfs/dbraw/zinc/28/83/95/727288395.db2.gz XYNQXEQLSDGGHK-JQFCIGGWSA-N 2 0 355.320 3.383 20 0 FGADRP FC(F)Sc1ccc2c(c1)CCC[C@H]2[NH2+]CCCN1CC[NH2+]CC1 ZINC000817935586 727288586 /nfs/dbraw/zinc/28/85/86/727288586.db2.gz JEMMISRYHOGWOS-QGZVFWFLSA-N 2 0 355.498 3.264 20 0 FGADRP C[C@@H]([NH2+]Cc1ccc2c(c1)C[NH2+]C2)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000817969079 727289855 /nfs/dbraw/zinc/28/98/55/727289855.db2.gz QUBAXDGEOQMSLA-GFCCVEGCSA-N 2 0 366.433 3.137 20 0 FGADRP C[NH+](C)CC[C@H]([NH2+]C[C@@H](O)c1ccccc1Br)C(C)(C)C ZINC000819082298 727345698 /nfs/dbraw/zinc/34/56/98/727345698.db2.gz PGXMZFHBUJDQTM-CVEARBPZSA-N 2 0 357.336 3.439 20 0 FGADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]C[C@H](O)c2cccc(Br)c2)C1 ZINC000819183172 727355611 /nfs/dbraw/zinc/35/56/11/727355611.db2.gz UMLISUFMPWNKEB-QAPCUYQASA-N 2 0 369.347 3.440 20 0 FGADRP C[N@H+](CCCC[NH2+]C[C@@H](O)c1ccc(F)c(Br)c1)C1CC1 ZINC000819361179 727371070 /nfs/dbraw/zinc/37/10/70/727371070.db2.gz HTDZHURZVJMQGU-MRXNPFEDSA-N 2 0 359.283 3.086 20 0 FGADRP CC(C)(C)OC(=O)N[C@H]1C[C@H]([NH2+]C2CC[NH+](CC3CC3)CC2)C1(C)C ZINC000822489836 729180904 /nfs/dbraw/zinc/18/09/04/729180904.db2.gz KTJFGYKTSADFPM-IRXDYDNUSA-N 2 0 351.535 3.142 20 0 FGADRP C[C@H]1C[C@@H](C[N@H+](C)CC2CC[NH+](C)CC2)CCN1C(=O)OC(C)(C)C ZINC000823436857 729280714 /nfs/dbraw/zinc/28/07/14/729280714.db2.gz DNAJRMGMOLGQFK-WMZOPIPTSA-N 2 0 353.551 3.296 20 0 FGADRP CC(C)[C@@H](CNC(=O)OC(C)(C)C)C[NH2+]C1CCC(C[NH+](C)C)CC1 ZINC000824023177 729316547 /nfs/dbraw/zinc/31/65/47/729316547.db2.gz KOFPSFQOCHXIHQ-LXPRWKDFSA-N 2 0 355.567 3.493 20 0 FGADRP CC[C@@H]([NH2+]CC1CC[NH+](CC)CC1)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000834566189 729815052 /nfs/dbraw/zinc/81/50/52/729815052.db2.gz GCVDPMQYZDBPBL-MSOLQXFVSA-N 2 0 353.551 3.486 20 0 FGADRP C[C@H]([NH2+]CC1CC[NH+](C2CC2)CC1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000834787280 729834114 /nfs/dbraw/zinc/83/41/14/729834114.db2.gz JTYUOXUVSHIYBU-MAUKXSAKSA-N 2 0 351.535 3.238 20 0 FGADRP Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000841079314 730208651 /nfs/dbraw/zinc/20/86/51/730208651.db2.gz LQFZAKMKSVRNHC-KRWDZBQOSA-N 2 0 362.880 3.264 20 0 FGADRP COc1cc2c(c(OC)c1OC)CC[N@H+](CCCCCCC[NH3+])CC2 ZINC000842476094 730507266 /nfs/dbraw/zinc/50/72/66/730507266.db2.gz GOQYXIUPOYUIQI-UHFFFAOYSA-N 2 0 350.503 3.022 20 0 FGADRP Ic1ccccc1C[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000843126432 730589052 /nfs/dbraw/zinc/58/90/52/730589052.db2.gz REXLDUKNALCKDN-KGLIPLIRSA-N 2 0 370.278 3.113 20 0 FGADRP C[C@H](C(=O)Nc1ccc(Cl)c(Cl)c1)[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000843363904 730610827 /nfs/dbraw/zinc/61/08/27/730610827.db2.gz SNVDPDLWLMZFTL-GFCCVEGCSA-N 2 0 356.297 3.396 20 0 FGADRP C[C@@H](c1nc(Cc2ccc(Cl)cc2)no1)[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000843363755 730611075 /nfs/dbraw/zinc/61/10/75/730611075.db2.gz OFPPVQJXAKQFCM-AWEZNQCLSA-N 2 0 360.889 3.450 20 0 FGADRP C[C@H]1C[C@@H]([NH2+]CC2CC[NH+](C3CC3)CC2)CN(C(=O)OC(C)(C)C)C1 ZINC000843405131 730616076 /nfs/dbraw/zinc/61/60/76/730616076.db2.gz BHDBIWUDODLTIO-DOTOQJQBSA-N 2 0 351.535 3.096 20 0 FGADRP CCCCn1nc(C)c(C[N@@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)c1Cl ZINC000844901395 730787212 /nfs/dbraw/zinc/78/72/12/730787212.db2.gz DVTQDVFZYNJQAA-XYJFISCASA-N 2 0 368.953 3.363 20 0 FGADRP C[NH+](C)C[C@@H](CNC(=O)CCCC[NH+]1CCCC1)c1ccc(Cl)cc1 ZINC000846132381 730931533 /nfs/dbraw/zinc/93/15/33/730931533.db2.gz ZZPJVXWTNSQHFH-GOSISDBHSA-N 2 0 365.949 3.368 20 0 FGADRP C[N@@H+]1CC[C@H]([NH2+]CCC2(CNC(=O)OC(C)(C)C)CC2)[C@@H]2CCC[C@H]21 ZINC000846200735 730936272 /nfs/dbraw/zinc/93/62/72/730936272.db2.gz ULVQDQMOCCJHDE-YESZJQIVSA-N 2 0 351.535 3.144 20 0 FGADRP CSC1(C[NH2+][C@@H]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)CC[NH+](C)CC1 ZINC000848551146 731180216 /nfs/dbraw/zinc/18/02/16/731180216.db2.gz FCKDCKAEYOQQQV-HZPDHXFCSA-N 2 0 371.591 3.239 20 0 FGADRP O[C@@H](C[NH2+]CC1CC[NH+](CC2CC2)CC1)c1ccc(Br)cc1 ZINC000853131508 731669149 /nfs/dbraw/zinc/66/91/49/731669149.db2.gz IZSBFTMHXFZREB-SFHVURJKSA-N 2 0 367.331 3.194 20 0 FGADRP O[C@H]1CC[N@H+](Cc2ccc(C[NH2+][C@@H]3CCc4ccc(Cl)nc43)cc2)C1 ZINC000857913693 732168897 /nfs/dbraw/zinc/16/88/97/732168897.db2.gz DUNVGMFLBXCRAK-ZWKOTPCHSA-N 2 0 357.885 3.079 20 0 FGADRP CC(C)[NH+]1CCC([NH2+]C[C@@H]2CC(F)(F)CN2C(=O)OC(C)(C)C)CC1 ZINC000862263670 732801320 /nfs/dbraw/zinc/80/13/20/732801320.db2.gz LRROTJBTAKUNSS-HNNXBMFYSA-N 2 0 361.477 3.094 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNCc1ncc(CN(C)C)s1 ZINC000865659617 733248045 /nfs/dbraw/zinc/24/80/45/733248045.db2.gz DLMHAROIUANOQN-SJLPKXTDSA-N 2 0 358.555 3.062 20 0 FGADRP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)c1cc2c(ccnc2Cl)o1 ZINC000866261986 733330294 /nfs/dbraw/zinc/33/02/94/733330294.db2.gz CUOYZMBRLATSSJ-UONOGXRCSA-N 2 0 351.878 3.369 20 0 FGADRP CC[N@@H+]1CC[C@H]([NH2+][C@H]2CC[C@H](CNC(=O)OC(C)(C)C)CC2)[C@@H](C)C1 ZINC000866453150 733351179 /nfs/dbraw/zinc/35/11/79/733351179.db2.gz IKQXBWJNLOSETD-XSLAGTTESA-N 2 0 353.551 3.390 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCC2CC[NH+](C(C)C)CC2)[C@@H](C)C1 ZINC000866467807 733354225 /nfs/dbraw/zinc/35/42/25/733354225.db2.gz QVJBHBBNAOUYNV-FPOVZHCZSA-N 3 0 353.595 3.224 20 0 FGADRP C[N@@H+]1CC[C@@H]([NH2+][C@@H]2C[C@H]3C[C@@H](C2)N(C(=O)OC(C)(C)C)C3)CC1(C)C ZINC000872128896 735593291 /nfs/dbraw/zinc/59/32/91/735593291.db2.gz NIOJONYLTAOMGQ-HZMVEIRTSA-N 2 0 351.535 3.237 20 0 FGADRP C[C@@H](C(=O)N(C)Cc1nc2ccccc2s1)[N@H+](C)CCCCCC[NH3+] ZINC000872155734 735597046 /nfs/dbraw/zinc/59/70/46/735597046.db2.gz VCQGRQZXTFOERZ-HNNXBMFYSA-N 2 0 362.543 3.094 20 0 FGADRP C[NH+](C)C1(C)CCC([NH2+]C[C@H](O)COCc2ccc(Cl)cc2)CC1 ZINC000872228536 735605562 /nfs/dbraw/zinc/60/55/62/735605562.db2.gz JGFPHRNAVDIROY-XBMUEBEBSA-N 2 0 354.922 3.070 20 0 FGADRP OCC[C@@H]([NH2+]Cc1cc2c(s1)CC[NH2+]C2)c1ccc(Cl)c(F)c1 ZINC000873216973 735738952 /nfs/dbraw/zinc/73/89/52/735738952.db2.gz ZKQKXIBURIHUAN-MRXNPFEDSA-N 2 0 354.878 3.400 20 0 FGADRP C[C@@H]([NH2+][C@@H]1CC[NH2+]CC(C)(C)C1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000873246385 735743565 /nfs/dbraw/zinc/74/35/65/735743565.db2.gz VJHQJPQKQIOTIV-TZMCWYRMSA-N 2 0 360.470 3.112 20 0 FGADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)NCCC2CC[NH+](C(C)C)CC2)C[C@@H]1C ZINC000876029292 736050262 /nfs/dbraw/zinc/05/02/62/736050262.db2.gz BZZBULRDEVTYGK-PKOBYXMFSA-N 2 0 352.567 3.011 20 0 FGADRP C[NH+](C)C[C@H](NC(=O)/C=C\[C@@H]1CCC[NH2+]C1)c1ccc(Cl)c(Cl)c1 ZINC000877053275 736181262 /nfs/dbraw/zinc/18/12/62/736181262.db2.gz ITLUKHXSFQBBGS-VOSKOBHPSA-N 2 0 370.324 3.268 20 0 FGADRP CCO[P@](C)(=O)CC[C@H](C)[NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000877625496 736695551 /nfs/dbraw/zinc/69/55/51/736695551.db2.gz ZJNNPILKSYPZQX-GIIVHJRKSA-N 2 0 368.458 3.066 20 0 FGADRP C[C@@H]1C[C@H](C[N@@H+]2CC[C@H]3[C@@H](CC[NH+]3C)C2)CCN1C(=O)OC(C)(C)C ZINC000877743209 736713070 /nfs/dbraw/zinc/71/30/70/736713070.db2.gz ULYDCTBXBXJTTP-BDXSIMOUSA-N 2 0 351.535 3.048 20 0 FGADRP CC(C)(O)[C@H]1CCC[NH+](CCCCC[N@H+]2CCC[C@H](C(C)(C)O)C2)C1 ZINC000879962486 737091220 /nfs/dbraw/zinc/09/12/20/737091220.db2.gz OFYVPDXRNQSLEN-OALUTQOASA-N 2 0 354.579 3.123 20 0 FGADRP CCC1([NH+]2CCC2)CCN(C(=O)NCCCCCCC[NH+](C)C)CC1 ZINC000887931290 739447778 /nfs/dbraw/zinc/44/77/78/739447778.db2.gz OXIHHMHYLGJCRS-UHFFFAOYSA-N 2 0 352.567 3.158 20 0 FGADRP C[NH+]1CCC(C[NH+]2CCC([C@H]3c4ccc(Cl)cc4NC3=O)CC2)CC1 ZINC000891909370 739950576 /nfs/dbraw/zinc/95/05/76/739950576.db2.gz XCZOOBXUZYITKZ-IBGZPJMESA-N 2 0 361.917 3.430 20 0 FGADRP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]CC2CC[NH+](CC)CC2)C[C@@H]1C(F)(F)F ZINC000892939676 740060719 /nfs/dbraw/zinc/06/07/19/740060719.db2.gz UPWHJCBNSVNGNU-OAGGEKHMSA-N 2 0 364.452 3.218 20 0 FGADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CC1(OCCO)CCC(C(F)F)CC1 ZINC000902434969 743743660 /nfs/dbraw/zinc/74/36/60/743743660.db2.gz QVQXOQZMASTPLW-FXQQTDPRSA-N 2 0 362.505 3.090 20 0 FGADRP Clc1ccc(C2CC[NH+](Cc3cnnn3[C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC000903904221 743894470 /nfs/dbraw/zinc/89/44/70/743894470.db2.gz RYCZMGFTTWJVLH-GOSISDBHSA-N 2 0 359.905 3.236 20 0 FGADRP OC[C@@H]([NH2+]Cc1cccc2c1CC[NH2+]C2)c1cccc(C(F)(F)F)c1 ZINC000903935951 743900935 /nfs/dbraw/zinc/90/09/35/743900935.db2.gz WLBNLSRZTWZJIH-GOSISDBHSA-N 2 0 350.384 3.174 20 0 FGADRP Fc1cc(CN2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)ccc1C(F)F ZINC000904388965 743951037 /nfs/dbraw/zinc/95/10/37/743951037.db2.gz QUSLUBHSAHSJAJ-IYBDPMFKSA-N 2 0 353.432 3.164 20 0 FGADRP O[C@@H](C[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccc(Cl)c(Cl)c1 ZINC000905127119 743994239 /nfs/dbraw/zinc/99/42/39/743994239.db2.gz IZGCXQMVQLFMMN-UGSOOPFHSA-N 2 0 373.324 3.117 20 0 FGADRP Cc1cc(C[NH+]2CCC[C@@H](N(C)C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)cs1 ZINC000948384860 762327063 /nfs/dbraw/zinc/32/70/63/762327063.db2.gz GPDSZNHFLAEUCT-BHIYHBOVSA-N 2 0 363.571 3.210 20 0 FGADRP CCC(CC)C[N@@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC000948389486 762329199 /nfs/dbraw/zinc/32/91/99/762329199.db2.gz TYHISMHILDPOAD-HSALFYBXSA-N 2 0 351.579 3.466 20 0 FGADRP CC(C)[C@@H](CNC(=O)NC[C@H](C)[NH+]1CCCCC1)[NH+]1CCCCCC1 ZINC000918119728 758304630 /nfs/dbraw/zinc/30/46/30/758304630.db2.gz AQEHPDDLNUTPAH-RBUKOAKNSA-N 2 0 352.567 3.061 20 0 FGADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2cc3c(cc(F)cc3Br)[nH]2)C1 ZINC000922225709 758874689 /nfs/dbraw/zinc/87/46/89/758874689.db2.gz UCMHAWUPUSWSEW-GSJFWJNXSA-N 2 0 354.267 3.499 20 0 FGADRP CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1ccc(Br)s1)C2 ZINC000922386804 758908985 /nfs/dbraw/zinc/90/89/85/758908985.db2.gz IRWZCYPOXMOFAU-LUYZLQTOSA-N 2 0 373.360 3.080 20 0 FGADRP CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]Cc3ccc(Br)o3)C2)[C@H]1C(C)C ZINC000922393684 758913926 /nfs/dbraw/zinc/91/39/26/758913926.db2.gz SDQFGRFCEKSDLB-MUIFIZLQSA-N 2 0 371.319 3.002 20 0 FGADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@H+](C[C@H](O)c3ccc(Cl)cc3Cl)C2)C1 ZINC000923389124 759109049 /nfs/dbraw/zinc/10/90/49/759109049.db2.gz TULQCVQQAPDDND-NMVRNDPTSA-N 2 0 373.324 3.245 20 0 FGADRP [NH3+]CC[C@H]1CC[N@H+](Cc2ncc(-c3ccccc3Br)o2)C1 ZINC000923483735 759129583 /nfs/dbraw/zinc/12/95/83/759129583.db2.gz QQPNLNFFEXQDEE-LBPRGKRZSA-N 2 0 350.260 3.275 20 0 FGADRP COc1ccc(-c2nc(C[N@@H+]3CC[C@@H](C[NH3+])[C@H](C)C3)cs2)cc1OC ZINC000923495275 759132050 /nfs/dbraw/zinc/13/20/50/759132050.db2.gz BECTZDUBNIQSOU-HIFRSBDPSA-N 2 0 361.511 3.244 20 0 FGADRP Cc1nccn1C[C@H](C)C[NH2+][C@H](C)c1nc(Br)ccc1F ZINC000924950329 759420857 /nfs/dbraw/zinc/42/08/57/759420857.db2.gz JKBODLOLALBOLC-GHMZBOCLSA-N 2 0 355.255 3.475 20 0 FGADRP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]C2CCN(Cc3ccc(F)c(F)c3)CC2)C1 ZINC000925475511 759494438 /nfs/dbraw/zinc/49/44/38/759494438.db2.gz UUKFPVKRCXWHIM-NVXWUHKLSA-N 2 0 351.485 3.425 20 0 FGADRP COc1ccc(Cl)cc1NC(=O)CC[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925531425 759501211 /nfs/dbraw/zinc/50/12/11/759501211.db2.gz ZEICNWRCYWBKGC-KGLIPLIRSA-N 2 0 353.894 3.173 20 0 FGADRP [NH3+][C@H]1C[C@H]2COC[C@@H](C1)[C@@H]2[NH2+]CC/C=C\c1ccc(Br)cc1 ZINC000925722916 759526007 /nfs/dbraw/zinc/52/60/07/759526007.db2.gz LJOQCLJEACNAQI-ACTRQOPKSA-N 2 0 365.315 3.194 20 0 FGADRP [NH3+][C@H]1C[C@H]2COC[C@@H](C1)[C@H]2[NH2+]CC/C=C\c1ccc(Br)cc1 ZINC000925722917 759526141 /nfs/dbraw/zinc/52/61/41/759526141.db2.gz LJOQCLJEACNAQI-QNHDDNPWSA-N 2 0 365.315 3.194 20 0 FGADRP [NH3+]C1CCN(CC[NH2+][C@H]2CCC[C@H]2c2cccc(C(F)(F)F)c2)CC1 ZINC000925816927 759550665 /nfs/dbraw/zinc/55/06/65/759550665.db2.gz LSIGILVUDCLTNE-ROUUACIJSA-N 2 0 355.448 3.354 20 0 FGADRP C[C@H]([NH2+]CCCCCN1CC[NH2+]CC1)[C@H](C)c1nc2ccccc2s1 ZINC000925842585 759556039 /nfs/dbraw/zinc/55/60/39/759556039.db2.gz AYIDTUUEMLMPPZ-IRXDYDNUSA-N 2 0 360.571 3.453 20 0 FGADRP C[C@@H]([NH2+]CCCCCN1CC[NH2+]CC1)[C@H](C)c1nc2ccccc2s1 ZINC000925842583 759556348 /nfs/dbraw/zinc/55/63/48/759556348.db2.gz AYIDTUUEMLMPPZ-DLBZAZTESA-N 2 0 360.571 3.453 20 0 FGADRP CC(C)[C@@H]([NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ccccc1Cl ZINC000925853155 759559427 /nfs/dbraw/zinc/55/94/27/759559427.db2.gz FIFGDSXROZRTDB-RHSMWYFYSA-N 2 0 350.890 3.312 20 0 FGADRP C[C@@H]([NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1cccc(C(F)(F)F)c1 ZINC000925857135 759561753 /nfs/dbraw/zinc/56/17/53/759561753.db2.gz ROPGGSNTMNOBJB-IUODEOHRSA-N 2 0 356.388 3.041 20 0 FGADRP C[C@H]([NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1cc(Cl)sc1Cl ZINC000925857373 759561822 /nfs/dbraw/zinc/56/18/22/759561822.db2.gz VBLXTMIEFHJKBA-VHSXEESVSA-N 2 0 363.310 3.391 20 0 FGADRP CCS(=O)(=O)c1ccc(C[NH2+][C@H](C)c2cccc(C[NH+](C)C)c2)cc1 ZINC000925967867 759589818 /nfs/dbraw/zinc/58/98/18/759589818.db2.gz AEEBCCIRTQRCLF-MRXNPFEDSA-N 2 0 360.523 3.393 20 0 FGADRP C[C@@H]([NH2+]C1CCC(CS(C)(=O)=O)CC1)c1cccc(C[NH+](C)C)c1 ZINC000926503648 759763433 /nfs/dbraw/zinc/76/34/33/759763433.db2.gz PBUSMERKLCJOIL-MDCZIUGASA-N 2 0 352.544 3.002 20 0 FGADRP CCOC(=O)C(F)(F)[C@H]1CC[C@@H]([NH2+]C2CCC(C)([NH+]3CCC3)CC2)C1 ZINC000927037352 759880002 /nfs/dbraw/zinc/88/00/02/759880002.db2.gz JFDFIWYTNNDDFT-UERKLNTKSA-N 2 0 358.473 3.350 20 0 FGADRP COC[C@@H](C[N@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1)C(C)C ZINC000929810840 760460937 /nfs/dbraw/zinc/46/09/37/760460937.db2.gz YZEIZOOKBJFOLG-HXUWFJFHSA-N 2 0 353.595 3.033 20 0 FGADRP C[N@@H+]1CC[C@@H](CNC(=O)CC[NH2+]C(C)(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000935145207 761800670 /nfs/dbraw/zinc/80/06/70/761800670.db2.gz BVGCUGPOWHQQBY-KSSFIOAISA-N 2 0 369.912 3.366 20 0 FGADRP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]([NH2+]Cc3c(C)cccc3Cl)C2)CC[N@@H+]1C ZINC000968738542 762841717 /nfs/dbraw/zinc/84/17/17/762841717.db2.gz ZUNXIJGKFDLWMG-JTDSTZFVSA-N 2 0 363.933 3.069 20 0 FGADRP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]([NH+](C)Cc3cccc(Cl)c3)C2)CC[N@@H+]1C ZINC000971568164 762914056 /nfs/dbraw/zinc/91/40/56/762914056.db2.gz WLIHBECUWUOMLS-GBESFXJTSA-N 2 0 363.933 3.103 20 0 FGADRP Cc1cc(C[NH+]2CC[C@@]3(NC(=O)[C@@H]4CC[N@H+](C)[C@@H]4C)CCC[C@@H]23)cs1 ZINC000990790138 764562796 /nfs/dbraw/zinc/56/27/96/764562796.db2.gz KOTYBROTKRPOLF-UIXUWTQFSA-N 2 0 361.555 3.010 20 0 FGADRP CC[C@@H]1[C@@H](C(=O)N2CCC([NH2+]Cc3cccc(Cl)c3)CC2)CC[N@@H+]1C ZINC000996601934 765019554 /nfs/dbraw/zinc/01/95/54/765019554.db2.gz BZTZDLOQCDTDOE-RBUKOAKNSA-N 2 0 363.933 3.151 20 0 FGADRP CCC(CC)C[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC000998014907 765091247 /nfs/dbraw/zinc/09/12/47/765091247.db2.gz AIJGDMPPEPMPCI-MISYRCLQSA-N 2 0 351.579 3.466 20 0 FGADRP Cc1ccc(C[NH2+]C2CC(N(C)C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)c(Cl)c1 ZINC000998792040 765124399 /nfs/dbraw/zinc/12/43/99/765124399.db2.gz RALWIOYUXXCVQK-AGERRDQYSA-N 2 0 363.933 3.068 20 0 FGADRP Cc1ccc(C[NH2+][C@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)c(Cl)c1 ZINC000999188430 765144746 /nfs/dbraw/zinc/14/47/46/765144746.db2.gz AMVFPWNPWUZNCE-BPQIPLTHSA-N 2 0 363.933 3.069 20 0 FGADRP C[C@@H](c1ccc(Cl)cc1)[NH+]1CCC(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001002861094 765349546 /nfs/dbraw/zinc/34/95/46/765349546.db2.gz RYMTYHYOOIENDF-QMTMVMCOSA-N 2 0 363.933 3.322 20 0 FGADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+][C@@H](C)c3cccc(Cl)c3)C2)CC[N@@H+]1C ZINC001022106458 765974296 /nfs/dbraw/zinc/97/42/96/765974296.db2.gz JBSMYDPIRBHVRG-NUBKLNGGSA-N 2 0 363.933 3.368 20 0 FGADRP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCC[NH+]2Cc2ccc(Cl)cc2)CC[N@@H+]1C ZINC001027892980 766104422 /nfs/dbraw/zinc/10/44/22/766104422.db2.gz JARRSAWGPMOOKP-CEXWTWQISA-N 2 0 363.933 3.151 20 0 FGADRP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CC[NH+](Cc3cc(C)sc3C)C2)CC[N@@H+]1C ZINC001033098070 766207438 /nfs/dbraw/zinc/20/74/38/766207438.db2.gz BJGMUYNDLOUTRQ-GBESFXJTSA-N 2 0 363.571 3.128 20 0 FGADRP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]2C[NH2+]Cc2cc(C)sc2C)CC[N@@H+]1C ZINC001034942732 766251767 /nfs/dbraw/zinc/25/17/67/766251767.db2.gz QPDCYUULDGYRLG-CEXWTWQISA-N 2 0 363.571 3.176 20 0 FGADRP CC[C@@H]1[C@@H](C(=O)N[C@]2(C)CC[NH+](Cc3ccc(Cl)cc3)C2)CC[N@@H+]1C ZINC001046330904 766585358 /nfs/dbraw/zinc/58/53/58/766585358.db2.gz WOOAQTNKFSTWON-NLWGTHIKSA-N 2 0 363.933 3.151 20 0 FGADRP C[C@@H]([NH2+][C@@H](CC(N)=O)c1ccccc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000293555311 257380036 /nfs/dbraw/zinc/38/00/36/257380036.db2.gz FLQSRXSSCODFFR-QMMLZNLJSA-N 2 0 351.494 3.103 20 0 FGADRP COc1ccc2c(c1)OCCC[C@@H]2[NH2+]Cc1ccnc(OCC[NH+](C)C)c1 ZINC000359977939 533279560 /nfs/dbraw/zinc/27/95/60/533279560.db2.gz XTRIJKJZNFICNB-IBGZPJMESA-N 2 0 371.481 3.034 20 0 FGADRP C[C@H](C(=O)NCCCC[NH+]1CCC(Cc2ccccc2)CC1)[NH+]1CC(C)C1 ZINC000576714680 505577659 /nfs/dbraw/zinc/57/76/59/505577659.db2.gz GAGHXKVIVLZTIR-HXUWFJFHSA-N 2 0 371.569 3.178 20 0 FGADRP Cc1ccc(CN(CC[NH+](C)C)C(=O)[C@H]2CC[N@H+](Cc3ccccc3)C2)o1 ZINC000570823040 505588878 /nfs/dbraw/zinc/58/88/78/505588878.db2.gz DGUXIMIAFZBERM-FQEVSTJZSA-N 2 0 369.509 3.000 20 0 FGADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]Cc3ccc(Cn4cncn4)cc3)CC2)C1 ZINC000579631464 505590416 /nfs/dbraw/zinc/59/04/16/505590416.db2.gz ZRDJFIPFJRFGEC-GCJKJVERSA-N 2 0 367.541 3.459 20 0 FGADRP Brc1cccc(CN2CCC([NH2+]CC3CC[NH2+]CC3)CC2)c1 ZINC000579712484 505607014 /nfs/dbraw/zinc/60/70/14/505607014.db2.gz UZASSPNTDRMWLD-UHFFFAOYSA-N 2 0 366.347 3.003 20 0 FGADRP CC(C)C[N@@H+]1CC[C@H](C[NH2+]C[C@H](O)COc2cccc3ccccc32)C1 ZINC000579703236 505605436 /nfs/dbraw/zinc/60/54/36/505605436.db2.gz GVXMKVCFYYKHFR-QUCCMNQESA-N 2 0 356.510 3.147 20 0 FGADRP Cc1ccccc1[C@@H]([NH3+])C(=O)Nc1cccc(CN2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000576940634 505629475 /nfs/dbraw/zinc/62/94/75/505629475.db2.gz VDGQXKDRXMLTML-LLGFUMIMSA-N 2 0 367.493 3.243 20 0 FGADRP O=C(C[NH2+]C1(c2ccc(Cl)cc2)CCC1)NC1CC[NH+](C2CC2)CC1 ZINC000579842350 505631300 /nfs/dbraw/zinc/63/13/00/505631300.db2.gz FHQZGSYDPBHZFM-UHFFFAOYSA-N 2 0 361.917 3.052 20 0 FGADRP c1nc(C2CCCCC2)sc1C[N@@H+]1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21 ZINC000571027681 505636700 /nfs/dbraw/zinc/63/67/00/505636700.db2.gz DPYVQRPUNUKROF-MSOLQXFVSA-N 2 0 361.555 3.391 20 0 FGADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@@H](CCO)c1ccc(Cl)cc1 ZINC000571033858 505638008 /nfs/dbraw/zinc/63/80/08/505638008.db2.gz BRCJKGLKMDXXDK-IBGZPJMESA-N 2 0 356.857 3.442 20 0 FGADRP COc1c(Br)cc(C[NH2+]CCCC[NH3+])cc1Br ZINC000037715440 494107886 /nfs/dbraw/zinc/10/78/86/494107886.db2.gz OTYRZCWMAHQCHK-UHFFFAOYSA-N 2 0 366.097 3.049 20 0 FGADRP C[C@@H]1C[C@H](NC(=O)NCc2ccccc2C[N@@H+]2CCCC[C@H]2C)CC[NH2+]1 ZINC000571060786 505644293 /nfs/dbraw/zinc/64/42/93/505644293.db2.gz SQKLLSWWXBJPFL-MBOZVWFJSA-N 2 0 358.530 3.001 20 0 FGADRP C[C@@H]1C[C@@H](NC(=O)NCc2ccccc2C[N@@H+]2CCCC[C@@H]2C)CC[NH2+]1 ZINC000571060789 505644556 /nfs/dbraw/zinc/64/45/56/505644556.db2.gz SQKLLSWWXBJPFL-UWVAXJGDSA-N 2 0 358.530 3.001 20 0 FGADRP [NH3+][C@@H]1CCO[C@@H](C2CC[NH+](Cc3cnn(-c4ccc(Cl)cc4)c3)CC2)C1 ZINC000573902457 505648029 /nfs/dbraw/zinc/64/80/29/505648029.db2.gz VXTSTAGVBQPCSI-UYAOXDASSA-N 2 0 374.916 3.244 20 0 FGADRP C[C@@H](C[N@@H+]1CCCC[C@H]1CNC(=O)CC[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000579952999 505651660 /nfs/dbraw/zinc/65/16/60/505651660.db2.gz YTEHXAMIGVMPRK-YOEHRIQHSA-N 2 0 371.447 3.128 20 0 FGADRP Cc1cc(C[NH3+])cc(NC(=O)N2CC[C@@H]([N@H+](C)CCc3ccccc3)C2)c1 ZINC000568282167 505658485 /nfs/dbraw/zinc/65/84/85/505658485.db2.gz PXXZVMSXHZWWMP-OAQYLSRUSA-N 2 0 366.509 3.234 20 0 FGADRP CC1CC[NH+](CCc2cccc(NC(=O)N3CCC(C[NH3+])CC3)c2)CC1 ZINC000577078826 505659875 /nfs/dbraw/zinc/65/98/75/505659875.db2.gz GJHPRODRPMNWAF-UHFFFAOYSA-N 2 0 358.530 3.164 20 0 FGADRP C[C@@H](C[NH2+]CCN1CC[N@H+](C)C(C)(C)C1)c1ccc(C(F)(F)F)cc1 ZINC000577145425 505672524 /nfs/dbraw/zinc/67/25/24/505672524.db2.gz CRDGWYZHUTYJNR-HNNXBMFYSA-N 2 0 357.464 3.425 20 0 FGADRP COc1ccc(Cl)cc1NC(=O)CC[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000075860579 493787375 /nfs/dbraw/zinc/78/73/75/493787375.db2.gz DSLAFSALSJKZPC-INIZCTEOSA-N 2 0 367.921 3.483 20 0 FGADRP C[C@H](C1CC1)[N@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)Cc1ccccc1 ZINC000068299122 493792156 /nfs/dbraw/zinc/79/21/56/493792156.db2.gz PJMFNNMIGFMVJY-QGZVFWFLSA-N 2 0 355.526 3.030 20 0 FGADRP CC[N@@H+](Cc1ccc(C(N)=O)cc1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076154981 493833488 /nfs/dbraw/zinc/83/34/88/493833488.db2.gz WRENHBRAUOMSGL-HXUWFJFHSA-N 2 0 351.494 3.130 20 0 FGADRP C[NH+](C)[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1)c1cccs1 ZINC000050024754 493892454 /nfs/dbraw/zinc/89/24/54/493892454.db2.gz WIFFQQMRRGTFFD-ZWKOTPCHSA-N 2 0 357.523 3.132 20 0 FGADRP C[NH+](C)[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1)c1ccsc1 ZINC000050029688 493893076 /nfs/dbraw/zinc/89/30/76/493893076.db2.gz PQBLHAJPSWWISD-OALUTQOASA-N 2 0 357.523 3.132 20 0 FGADRP COC(=O)c1oc(CN2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)cc1C ZINC000574084885 505689744 /nfs/dbraw/zinc/68/97/44/505689744.db2.gz USCYTMBUYMFYJA-RTBURBONSA-N 2 0 368.477 3.329 20 0 FGADRP CC(C)[NH+]1CCC(NC(=O)C[N@H+](C)[C@H](C)Cc2ccc(Cl)cc2)CC1 ZINC000076732666 493961153 /nfs/dbraw/zinc/96/11/53/493961153.db2.gz QHMLESVTFFLBOC-MRXNPFEDSA-N 2 0 365.949 3.192 20 0 FGADRP CC(C)[N@@H+]1CCCN(C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)CC1 ZINC000069729264 494003096 /nfs/dbraw/zinc/00/30/96/494003096.db2.gz XXSANSYRMJNZAZ-QGZVFWFLSA-N 2 0 364.559 3.011 20 0 FGADRP C[C@H]1CCC[C@](CNC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)([NH+](C)C)C1 ZINC000052497300 494031901 /nfs/dbraw/zinc/03/19/01/494031901.db2.gz LFJRTEOLCDWSAM-YWZLYKJASA-N 2 0 352.567 3.105 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1cccc2c1ccn2C ZINC000077203507 494032613 /nfs/dbraw/zinc/03/26/13/494032613.db2.gz KUFOCUZCLVUHMT-KRWDZBQOSA-N 2 0 371.529 3.058 20 0 FGADRP OCC[C@@H]([NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1)c1ccccc1 ZINC000077468204 494088546 /nfs/dbraw/zinc/08/85/46/494088546.db2.gz WSHTWVLJAKRJNF-JOCHJYFZSA-N 2 0 354.494 3.375 20 0 FGADRP C[C@@H](CC[NH+](C)C)NC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000077574901 494118668 /nfs/dbraw/zinc/11/86/68/494118668.db2.gz SACSTQAPCCWYDC-YBVXAUJNSA-N 2 0 372.557 3.164 20 0 FGADRP CCCC[N@H+](C)CC1CCN(C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)CC1 ZINC000085424743 494124259 /nfs/dbraw/zinc/12/42/59/494124259.db2.gz KEQWNOKYGJGHFC-KRWDZBQOSA-N 2 0 354.583 3.116 20 0 FGADRP O=C([C@@H]1CCC[N@H+](Cc2ccccc2)C1)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000072094579 494127186 /nfs/dbraw/zinc/12/71/86/494127186.db2.gz RFTPKPBETZRLOU-FGZHOGPDSA-N 2 0 369.553 3.376 20 0 FGADRP C[C@H](COc1ccc(Cl)c(Cl)c1)[NH2+]CCCC[NH+]1CCN(C)CC1 ZINC000568473071 505702430 /nfs/dbraw/zinc/70/24/30/505702430.db2.gz UOLYWAUKAWOVMT-OAHLLOKOSA-N 2 0 374.356 3.378 20 0 FGADRP C[NH+](CCCNC(=O)NCC[N@@H+](C)Cc1ccccc1)C1CCCCC1 ZINC000065542409 494212137 /nfs/dbraw/zinc/21/21/37/494212137.db2.gz BZGOADWIYFLPCJ-UHFFFAOYSA-N 2 0 360.546 3.072 20 0 FGADRP CC(C)[NH+](CCCNC(=O)NC1CC[NH+](Cc2ccccc2)CC1)C(C)C ZINC000072731758 494243822 /nfs/dbraw/zinc/24/38/22/494243822.db2.gz VTBJRUOZJCGPFF-UHFFFAOYSA-N 2 0 374.573 3.459 20 0 FGADRP COc1ccc([C@H](CNC(=O)C2CC[NH+](C(C)C)CC2)[NH+]2CCCC2)cc1 ZINC000072799675 494252189 /nfs/dbraw/zinc/25/21/89/494252189.db2.gz GFQJHLGORVIEQI-NRFANRHFSA-N 2 0 373.541 3.069 20 0 FGADRP O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000066175950 494284068 /nfs/dbraw/zinc/28/40/68/494284068.db2.gz SBWWPQPOWHXSNI-NRFANRHFSA-N 2 0 370.541 3.052 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(C(C)=O)c(C)c1 ZINC000089444711 494307996 /nfs/dbraw/zinc/30/79/96/494307996.db2.gz IYAWKQOBWZUCRK-LJQANCHMSA-N 2 0 374.529 3.077 20 0 FGADRP CC(C)[C@@H](CNC(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1)[NH+]1CCCCCC1 ZINC000078524422 494313358 /nfs/dbraw/zinc/31/33/58/494313358.db2.gz RLEMMDVULOKAFP-VQTJNVASSA-N 2 0 366.594 3.307 20 0 FGADRP CC[C@H](C)[N@H+](C)CCNC(=O)N1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000073213072 494338811 /nfs/dbraw/zinc/33/88/11/494338811.db2.gz JDZSQBOWEJILFI-GBESFXJTSA-N 2 0 352.567 3.013 20 0 FGADRP C[C@@H]([NH2+]CC1CC[NH+](C)CC1)c1ccc(I)cc1 ZINC000044516527 494363015 /nfs/dbraw/zinc/36/30/15/494363015.db2.gz JDMAHSZIYPIBCK-GFCCVEGCSA-N 2 0 358.267 3.284 20 0 FGADRP CC[NH+]1CCC(CCNC(=O)NCc2ccccc2C[N@H+](C)C(C)C)CC1 ZINC000073621038 494400897 /nfs/dbraw/zinc/40/08/97/494400897.db2.gz ZYPMALHRFVCKBD-UHFFFAOYSA-N 2 0 374.573 3.448 20 0 FGADRP C[C@H]1CCC[N@H+](CCCCNC(=O)NCCC[NH2+]C2CCCCC2)C1 ZINC000079116365 494405645 /nfs/dbraw/zinc/40/56/45/494405645.db2.gz YCODHHFPRMAUCN-SFHVURJKSA-N 2 0 352.567 3.110 20 0 FGADRP [NH3+]CCC1CC[NH+](Cc2cn(-c3ccccc3)nc2-c2cccnc2)CC1 ZINC000574210340 505721215 /nfs/dbraw/zinc/72/12/15/505721215.db2.gz IOYGCZOSEQKQOC-UHFFFAOYSA-N 2 0 361.493 3.495 20 0 FGADRP CC(C)[C@@H](CNC(=O)N1CCC([NH+]2CCCC2)CC1)[NH+]1CCC(C)CC1 ZINC000079251256 494424897 /nfs/dbraw/zinc/42/48/97/494424897.db2.gz CTXOTPOTUZKVFB-HXUWFJFHSA-N 2 0 364.578 3.013 20 0 FGADRP C[NH+](C)CCN(Cc1ccccc1)C(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000079267379 494427832 /nfs/dbraw/zinc/42/78/32/494427832.db2.gz IJOIKGAJODGFOJ-LJQANCHMSA-N 2 0 374.554 3.124 20 0 FGADRP CCOc1ccc([C@@H](C)[NH2+]Cc2ccc(C(=O)NCC[NH+](C)C)cc2)cc1 ZINC000090038664 494431198 /nfs/dbraw/zinc/43/11/98/494431198.db2.gz SDXZLIAFBWKAHM-QGZVFWFLSA-N 2 0 369.509 3.228 20 0 FGADRP Cc1ccc(CC[C@@H](C)[NH2+]Cc2ccc(C(=O)NCC[NH+](C)C)cc2)cc1 ZINC000090038850 494432637 /nfs/dbraw/zinc/43/26/37/494432637.db2.gz JUFLCFHXZQSSOT-LJQANCHMSA-N 2 0 367.537 3.397 20 0 FGADRP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@H]1C)C(=O)NCC(F)(F)F ZINC000079303761 494433427 /nfs/dbraw/zinc/43/34/27/494433427.db2.gz USPFKVJOZNSJTK-CABCVRRESA-N 2 0 371.447 3.218 20 0 FGADRP CCCC[N@H+](C)CC1CC[NH+]([C@@H](C)C(=O)N(C)Cc2ccccc2)CC1 ZINC000066960827 494446053 /nfs/dbraw/zinc/44/60/53/494446053.db2.gz ZZMHPFXPXXJWCY-IBGZPJMESA-N 2 0 359.558 3.477 20 0 FGADRP C[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccc(Cl)c2)CC1 ZINC000073923426 494450436 /nfs/dbraw/zinc/45/04/36/494450436.db2.gz WPEGGXWABCHCID-PKOBYXMFSA-N 2 0 363.933 3.181 20 0 FGADRP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1ccc(-n2ccnc2)cc1 ZINC000090523958 494477819 /nfs/dbraw/zinc/47/78/19/494477819.db2.gz UABMWBCCMGLZKI-HSQYWUDLSA-N 2 0 368.525 3.291 20 0 FGADRP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000074299758 494513927 /nfs/dbraw/zinc/51/39/27/494513927.db2.gz BDNNZTPQHRGFQA-UIFIKXQLSA-N 2 0 370.541 3.090 20 0 FGADRP C[NH+](C)CCC1CC[NH+](C[C@@H](O)COc2ccc(C(C)(C)C)cc2)CC1 ZINC000056523097 494519823 /nfs/dbraw/zinc/51/98/23/494519823.db2.gz NVYTWABNCQHYCC-HXUWFJFHSA-N 2 0 362.558 3.388 20 0 FGADRP C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)[C@@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000074323166 494519980 /nfs/dbraw/zinc/51/99/80/494519980.db2.gz FRANBFANEKAZFT-FGZHOGPDSA-N 2 0 369.553 3.089 20 0 FGADRP C[C@H](C1CC1)N(Cc1ccccc1)C(=O)C[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000056525258 494520494 /nfs/dbraw/zinc/52/04/94/494520494.db2.gz LZMDEFISDKKVIO-LJQANCHMSA-N 2 0 371.569 3.477 20 0 FGADRP CC[NH+]1CCC(CCNC(=O)NCCCCC[NH+]2CCCCC2)CC1 ZINC000074352374 494523291 /nfs/dbraw/zinc/52/32/91/494523291.db2.gz MULKFYUSHXWPPB-UHFFFAOYSA-N 2 0 352.567 3.064 20 0 FGADRP CCC[NH+]1CCC(CNC(=O)N(CC)Cc2ccc(C[NH+](C)C)cc2)CC1 ZINC000067414898 494535874 /nfs/dbraw/zinc/53/58/74/494535874.db2.gz MPVQWHWEBNOJKS-UHFFFAOYSA-N 2 0 374.573 3.402 20 0 FGADRP C[C@H](CNC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1)C[NH+]1CCCC1 ZINC000079924443 494551253 /nfs/dbraw/zinc/55/12/53/494551253.db2.gz XZKGRFLZGACLSD-LJQANCHMSA-N 2 0 372.557 3.204 20 0 FGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000580303471 505727892 /nfs/dbraw/zinc/72/78/92/505727892.db2.gz BFNJKAOVUVCYDE-NRFANRHFSA-N 2 0 369.553 3.376 20 0 FGADRP CC(C)[C@@H]([NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1)c1ccccc1 ZINC000091318409 494581776 /nfs/dbraw/zinc/58/17/76/494581776.db2.gz ROVGADMVHIPMMD-OAQYLSRUSA-N 2 0 353.510 3.465 20 0 FGADRP CC[NH+]1CCC(CCNC(=O)N2CC[C@H]([N@H+](C)Cc3ccccc3)C2)CC1 ZINC000074714757 494582320 /nfs/dbraw/zinc/58/23/20/494582320.db2.gz DZKIWAOPTJYZLY-NRFANRHFSA-N 2 0 372.557 3.024 20 0 FGADRP CC[NH+]1CCC(CCNC(=O)NCC2CC[NH+](CCC(C)C)CC2)CC1 ZINC000080153915 494616915 /nfs/dbraw/zinc/61/69/15/494616915.db2.gz AWBCLPIDVCIMEK-UHFFFAOYSA-N 2 0 366.594 3.166 20 0 FGADRP CC[NH+](CC)Cc1ccccc1CNC(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000115789804 494622059 /nfs/dbraw/zinc/62/20/59/494622059.db2.gz PNCRFDZDRROVNU-SFHVURJKSA-N 2 0 360.546 3.012 20 0 FGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@H](C)c2ccc(Br)s2)CC1 ZINC000121164667 494626501 /nfs/dbraw/zinc/62/65/01/494626501.db2.gz WXEAKSACZHKCAF-UONOGXRCSA-N 2 0 374.392 3.435 20 0 FGADRP C[C@@H]([NH2+]CCCN1CCC[N@H+](C)CC1)c1ccc(Br)c(F)c1 ZINC000131461865 494628009 /nfs/dbraw/zinc/62/80/09/494628009.db2.gz TYCAZXGRUACGIM-CQSZACIVSA-N 2 0 372.326 3.266 20 0 FGADRP CC1CC[NH+](CCCCNC(=O)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000107977353 494630293 /nfs/dbraw/zinc/63/02/93/494630293.db2.gz JREKYOHWFLBRLJ-BGYRXZFFSA-N 2 0 366.594 3.166 20 0 FGADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)NCC2CC[NH+](CCC(C)C)CC2)C1 ZINC000080217325 494642146 /nfs/dbraw/zinc/64/21/46/494642146.db2.gz JYEBDKRWLIAUJQ-HXUWFJFHSA-N 2 0 366.594 3.118 20 0 FGADRP COc1cc(C[NH+]2CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)cc(OC)c1 ZINC000092587260 494678547 /nfs/dbraw/zinc/67/85/47/494678547.db2.gz MQTVJJRPZBGHGR-IAGOWNOFSA-N 2 0 362.514 3.025 20 0 FGADRP COCCc1nc(C)c([C@H](C)[NH2+]CCCC[NH+]2C[C@@H](C)O[C@H](C)C2)s1 ZINC000092742012 494736473 /nfs/dbraw/zinc/73/64/73/494736473.db2.gz SDJNEYHWBXSKAA-OAGGEKHMSA-N 2 0 369.575 3.180 20 0 FGADRP Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)[C@@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC000080610646 494744229 /nfs/dbraw/zinc/74/42/29/494744229.db2.gz DLSBODCLJPERRD-MOPGFXCFSA-N 2 0 373.566 3.357 20 0 FGADRP C[C@@H]1CCCCN1C(=O)C[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821545 494764030 /nfs/dbraw/zinc/76/40/30/494764030.db2.gz OVDDJOGWXNWGFL-GOSISDBHSA-N 2 0 358.530 3.021 20 0 FGADRP C[C@@H](CCNC(=O)NC1CCC(C[NH+](C)C)CC1)[N@H+](C)Cc1ccccc1 ZINC000121486484 494777447 /nfs/dbraw/zinc/77/74/47/494777447.db2.gz BUBXWFXHBYGDSK-PELRDEGISA-N 2 0 374.573 3.317 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCCN2CCc3ccccc32)[C@H](C)C1 ZINC000121494455 494780817 /nfs/dbraw/zinc/78/08/17/494780817.db2.gz ZDBFHAWZILSZTO-CTNGQTDRSA-N 2 0 359.558 3.166 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)NC1CC[NH+](C(C)C)CC1)Cc1ccccc1 ZINC000047884168 494787785 /nfs/dbraw/zinc/78/77/85/494787785.db2.gz AZHIWIJSNPEYHN-OAQYLSRUSA-N 2 0 374.573 3.112 20 0 FGADRP CCCC[N@H+](C)CCNC(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000116551182 494813221 /nfs/dbraw/zinc/81/32/21/494813221.db2.gz MKCBETNCGFGHOH-SFHVURJKSA-N 2 0 360.546 3.243 20 0 FGADRP CCCCN(C(=O)[C@H]1CCn2ccnc2C1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000132106970 494820979 /nfs/dbraw/zinc/82/09/79/494820979.db2.gz YEWCXUYWHOZLQJ-INIZCTEOSA-N 2 0 360.546 3.383 20 0 FGADRP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3cccc(OC4CCCC4)c3)C2)CC1 ZINC000093132768 494831203 /nfs/dbraw/zinc/83/12/03/494831203.db2.gz YEMMRKFMXQFYBL-HXUWFJFHSA-N 2 0 357.542 3.220 20 0 FGADRP CC[N@H+](CC(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1)C1CC1 ZINC000132200404 494837456 /nfs/dbraw/zinc/83/74/56/494837456.db2.gz DNDMGXDZUFUTJH-UHFFFAOYSA-N 2 0 363.933 3.153 20 0 FGADRP CC[NH+]1CCC(CC[NH2+][C@H](C)c2ccc(NS(=O)(=O)CC)cc2)CC1 ZINC000121751828 494852786 /nfs/dbraw/zinc/85/27/86/494852786.db2.gz XMTRJAOCOXILTJ-MRXNPFEDSA-N 2 0 367.559 3.221 20 0 FGADRP CC(C)[C@H](C[NH2+][C@H](C)c1cccc(Br)c1)N1CC[NH+](C)CC1 ZINC000132330380 494858266 /nfs/dbraw/zinc/85/82/66/494858266.db2.gz UQMSBLWIDCEXPL-QAPCUYQASA-N 2 0 368.363 3.372 20 0 FGADRP CC(C)[C@@H](C[NH2+][C@H]1CCSc2ccc(F)cc21)N1CC[NH+](C)CC1 ZINC000132389386 494866418 /nfs/dbraw/zinc/86/64/18/494866418.db2.gz UPAQEZLSOGNPQK-ZWKOTPCHSA-N 2 0 351.535 3.224 20 0 FGADRP CCCn1cc(C[NH2+][C@@H](C)c2cc(F)ccc2N2CC[NH+](CC)CC2)cn1 ZINC000116916566 494870453 /nfs/dbraw/zinc/87/04/53/494870453.db2.gz VUFYODCOUQYXNI-KRWDZBQOSA-N 2 0 373.520 3.425 20 0 FGADRP Cc1cc2ncc([C@H](C)[NH2+]Cc3cccc(OCC[NH+](C)C)c3)c(C)n2n1 ZINC000093399093 494885462 /nfs/dbraw/zinc/88/54/62/494885462.db2.gz MGLFIRQQBLSECM-INIZCTEOSA-N 2 0 367.497 3.137 20 0 FGADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H]2CCCc3ncc(C(F)(F)F)cc32)CC1 ZINC000132534136 494888992 /nfs/dbraw/zinc/88/89/92/494888992.db2.gz YZXUAYXEENPIAB-WMLDXEAASA-N 2 0 370.463 3.093 20 0 FGADRP C[C@@H](C(=O)Nc1nccs1)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000121942469 494895113 /nfs/dbraw/zinc/89/51/13/494895113.db2.gz PCPNQFZGYUEPPP-HNNXBMFYSA-N 2 0 350.532 3.058 20 0 FGADRP C[C@@H]1C[C@@H]([N@H+](C)Cc2ccccc2N(C)C2CC[NH+](C)CC2)CCN1C ZINC000093644491 494907435 /nfs/dbraw/zinc/90/74/35/494907435.db2.gz HJWOZGZJQIPPEC-NQIIRXRSSA-N 2 0 358.574 3.132 20 0 FGADRP CC(C)Cc1ncc(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)s1 ZINC000093735220 494915329 /nfs/dbraw/zinc/91/53/29/494915329.db2.gz BGAFJTPGFRCPLE-UHFFFAOYSA-N 2 0 351.560 3.418 20 0 FGADRP CCC[NH+]1CCC([N@H+](C)CCC(=O)Nc2cc(Cl)ccc2OC)CC1 ZINC000109787471 494918354 /nfs/dbraw/zinc/91/83/54/494918354.db2.gz SWJDNDZXUVZFSA-UHFFFAOYSA-N 2 0 367.921 3.483 20 0 FGADRP COCc1ccc(C[NH+]2CCC(CC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)o1 ZINC000093844185 494927149 /nfs/dbraw/zinc/92/71/49/494927149.db2.gz OMTMDBAZUWHJPA-IRXDYDNUSA-N 2 0 350.503 3.137 20 0 FGADRP C[C@@H]([NH2+]C[C@H](O)CC1CCCC1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000571516176 505751591 /nfs/dbraw/zinc/75/15/91/505751591.db2.gz IZHNEXJBNOZGPJ-VQIMIIECSA-N 2 0 363.521 3.169 20 0 FGADRP Cc1nc(-c2cc([C@H](C)[NH2+]C[C@H](C)N3CC[NH+](C)CC3)cs2)cs1 ZINC000127551218 494961008 /nfs/dbraw/zinc/96/10/08/494961008.db2.gz XNIPIFPIGUVNIS-KBPBESRZSA-N 2 0 364.584 3.467 20 0 FGADRP CC(C)[NH+]1CCC(C(=O)NC2[C@@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000122460917 494979208 /nfs/dbraw/zinc/97/92/08/494979208.db2.gz BFIRXNTXCCJXCS-OALUTQOASA-N 2 0 371.569 3.380 20 0 FGADRP CC[NH+](CC)[C@@H](C(=O)NC[C@H](c1ccccc1)[NH+](C)C)c1ccccc1 ZINC000111071718 495036481 /nfs/dbraw/zinc/03/64/81/495036481.db2.gz FHECZBKRMTZKRY-NHCUHLMSSA-N 2 0 353.510 3.489 20 0 FGADRP C[NH+](C)CCNC(=O)c1ccc(C[NH2+]C2CC(c3ccc(F)cc3)C2)cc1 ZINC000128155285 495052941 /nfs/dbraw/zinc/05/29/41/495052941.db2.gz JXWJLAULJNZJFP-UHFFFAOYSA-N 2 0 369.484 3.153 20 0 FGADRP NC(=O)[C@H]1CCC[N@H+](CCC[NH2+][C@@H]2CCc3c2ccc(Cl)c3Cl)C1 ZINC000128214064 495062034 /nfs/dbraw/zinc/06/20/34/495062034.db2.gz HHTAAFATVPADDF-BLLLJJGKSA-N 2 0 370.324 3.158 20 0 FGADRP O=C(NCCCCC[NH+]1CCCCC1)N1CCC([NH2+]C2CCCC2)CC1 ZINC000133867112 495072988 /nfs/dbraw/zinc/07/29/88/495072988.db2.gz ZERWGFWGYVLEJE-UHFFFAOYSA-N 2 0 364.578 3.349 20 0 FGADRP CCN1CCCC[C@H]1C[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000134127976 495110152 /nfs/dbraw/zinc/11/01/52/495110152.db2.gz XPHNURYAVGWQGX-NRFANRHFSA-N 2 0 358.574 3.181 20 0 FGADRP C[NH+](C)CCCCCCCNC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000128694946 495136738 /nfs/dbraw/zinc/13/67/38/495136738.db2.gz UGSRHLADJHLEPG-QUCCMNQESA-N 2 0 364.578 3.157 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)N(C)[C@H]1CC[N@H+](CC)C[C@H]1C)c1ccco1 ZINC000128725299 495140979 /nfs/dbraw/zinc/14/09/79/495140979.db2.gz HFDXRQWAJZELAB-SQNIBIBYSA-N 2 0 364.534 3.034 20 0 FGADRP CCn1cc(C[NH2+][C@H](C)c2cc(F)ccc2N2CC[NH+](CC)CC2)cn1 ZINC000112098772 495143556 /nfs/dbraw/zinc/14/35/56/495143556.db2.gz LJHZMACQJMISIU-MRXNPFEDSA-N 2 0 359.493 3.035 20 0 FGADRP Cc1ccc(C[N@H+]2CC[C@@H](CN(C)C(=O)CCCC[NH+](C)C)C2)s1 ZINC000580455381 505763854 /nfs/dbraw/zinc/76/38/54/505763854.db2.gz DNHAFEXSLVIMBP-KRWDZBQOSA-N 2 0 351.560 3.069 20 0 FGADRP CC[N@H+](C)Cc1cccc(CNC(=O)NC[C@@H]2CCC[NH+](CC(C)C)C2)c1 ZINC000128780575 495148869 /nfs/dbraw/zinc/14/88/69/495148869.db2.gz NLUJPVDTLALLRT-NRFANRHFSA-N 2 0 374.573 3.306 20 0 FGADRP COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000119421198 495163480 /nfs/dbraw/zinc/16/34/80/495163480.db2.gz ZGIWLDGWUXWFFY-KBPBESRZSA-N 2 0 365.905 3.140 20 0 FGADRP C[C@@H]1C[C@H]([NH2+]C[C@H](O)c2cccc(OCc3ccccc3)c2)CC[N@@H+]1C ZINC000123633231 495163695 /nfs/dbraw/zinc/16/36/95/495163695.db2.gz BCEHNENLPBYUSN-ZNLUXHQJSA-N 2 0 354.494 3.371 20 0 FGADRP C[C@H]([NH2+]CCC(=O)N1CCCCCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000129002015 495181044 /nfs/dbraw/zinc/18/10/44/495181044.db2.gz ZFVQHNVNEKRDDY-SFHVURJKSA-N 2 0 361.530 3.070 20 0 FGADRP CCN(C(=O)NC1CC[NH+](CC)CC1)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000134652588 495181900 /nfs/dbraw/zinc/18/19/00/495181900.db2.gz ZVYVLHLFCNIPQE-RXVVDRJESA-N 2 0 372.557 3.338 20 0 FGADRP CC[NH+](CC)Cc1cccc(C[NH2+][C@@H](C)C(=O)Nc2ccnn2C(C)C)c1 ZINC000112531570 495202360 /nfs/dbraw/zinc/20/23/60/495202360.db2.gz PHXFHJGHCRIHAD-KRWDZBQOSA-N 2 0 371.529 3.423 20 0 FGADRP C[C@@H]([NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1)c1cccc(Cl)c1 ZINC000112542259 495203356 /nfs/dbraw/zinc/20/33/56/495203356.db2.gz LFBVQQQKZWMOMJ-OAHLLOKOSA-N 2 0 359.901 3.482 20 0 FGADRP C[NH+]1CCN(c2cc(C[NH2+][C@H]3CCC[C@H](C(F)(F)F)C3)ccn2)CC1 ZINC000129311888 495226630 /nfs/dbraw/zinc/22/66/30/495226630.db2.gz FQTBKPVJXLZION-HOTGVXAUSA-N 2 0 356.436 3.044 20 0 FGADRP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C[C@H]([NH3+])c1ccccc1 ZINC000119760040 495235185 /nfs/dbraw/zinc/23/51/85/495235185.db2.gz SBBPGSYGNYDTRT-IRLDBZIGSA-N 2 0 365.521 3.447 20 0 FGADRP C[NH+]1CCC(CNC(=O)NCc2ccccc2C[NH+]2CCCCCC2)CC1 ZINC000112749125 495236268 /nfs/dbraw/zinc/23/62/68/495236268.db2.gz NKPKYBSDERABDO-UHFFFAOYSA-N 2 0 372.557 3.204 20 0 FGADRP CN(C(=O)CC[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1)c1ccccc1 ZINC000135111619 495251956 /nfs/dbraw/zinc/25/19/56/495251956.db2.gz IJYJYOPXHWDJNH-OAQYLSRUSA-N 2 0 365.521 3.493 20 0 FGADRP C[NH+]1CCN(c2ncccc2C[NH2+][C@@H]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC000129509102 495254947 /nfs/dbraw/zinc/25/49/47/495254947.db2.gz PAGDPTYBYYRABB-JKSUJKDBSA-N 2 0 356.436 3.044 20 0 FGADRP C[C@H](CS(=O)(=O)c1ccccc1)[NH2+]Cc1cccc(C[NH+]2CCCC2)c1 ZINC000119919463 495269911 /nfs/dbraw/zinc/26/99/11/495269911.db2.gz SKQDXJDAMVSLOH-GOSISDBHSA-N 2 0 372.534 3.234 20 0 FGADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000113364808 495299846 /nfs/dbraw/zinc/29/98/46/495299846.db2.gz CIUGHQPAGCGQMV-NRFANRHFSA-N 2 0 372.557 3.215 20 0 FGADRP CC[NH+](CC)Cc1cccc(CNC(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)c1 ZINC000105118876 495338768 /nfs/dbraw/zinc/33/87/68/495338768.db2.gz NUEVRUNJRUADJC-NRFANRHFSA-N 2 0 374.573 3.448 20 0 FGADRP CC1CC[NH+]([C@H](CNC(=O)NCC2CC[NH+](C)CC2)c2ccccc2)CC1 ZINC000105173629 495342921 /nfs/dbraw/zinc/34/29/21/495342921.db2.gz KEMHCLAWNFVVKF-OAQYLSRUSA-N 2 0 372.557 3.101 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1)c1ccco1 ZINC000105198900 495344249 /nfs/dbraw/zinc/34/42/49/495344249.db2.gz MPOHUBYYIULLPX-MSOLQXFVSA-N 2 0 364.534 3.082 20 0 FGADRP CC1CC[NH+](Cc2cccc(CNC(=O)NCC3CC[NH+](C)CC3)c2)CC1 ZINC000105241579 495348236 /nfs/dbraw/zinc/34/82/36/495348236.db2.gz GCKZUWYOYARQPI-UHFFFAOYSA-N 2 0 372.557 3.060 20 0 FGADRP C[N@@H+]1CCCC[C@H]1CCC(=O)N1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000568789890 505777500 /nfs/dbraw/zinc/77/75/00/505777500.db2.gz MMDGMCJCBGSHAK-JTHBVZDNSA-N 2 0 369.553 3.376 20 0 FGADRP C[C@@H](NC(=O)NC1CCC([NH+]2CCC(C)CC2)CC1)C(C)(C)C[NH+](C)C ZINC000130352768 495378543 /nfs/dbraw/zinc/37/85/43/495378543.db2.gz HBLROKBKHJTIEB-LMDPOFIKSA-N 2 0 366.594 3.305 20 0 FGADRP CCCC[N@H+](C)CC1CC[NH+](CC(=O)NCc2cc(F)cc(F)c2)CC1 ZINC000114475849 495380452 /nfs/dbraw/zinc/38/04/52/495380452.db2.gz WHPONAMPNIYZAR-UHFFFAOYSA-N 2 0 367.484 3.025 20 0 FGADRP CCc1ccc([C@H](C)NC(=O)[C@H](C)[N@H+](C)CCCn2ccnc2C)cc1 ZINC000130364565 495380903 /nfs/dbraw/zinc/38/09/03/495380903.db2.gz RFGCSPFCUUCGMI-IRXDYDNUSA-N 2 0 356.514 3.342 20 0 FGADRP Cc1ccc(NC(=O)NC[C@@H]2CCC[NH+](CC[C@@H]3CCC[N@H+]3C)C2)cc1 ZINC000125097253 495390627 /nfs/dbraw/zinc/39/06/27/495390627.db2.gz NXEHSNNKFZLKHW-ICSRJNTNSA-N 2 0 358.530 3.313 20 0 FGADRP C[C@@H]([NH2+]CCc1cn2ccccc2n1)c1ccc(OCC[NH+](C)C)cc1 ZINC000130553565 495410032 /nfs/dbraw/zinc/41/00/32/495410032.db2.gz UJOLGUUICKJUCZ-QGZVFWFLSA-N 2 0 352.482 3.168 20 0 FGADRP COc1ccc([C@H](C)[NH2+]CCC2CC[NH+](C)CC2)cc1Cn1cccn1 ZINC000125431741 495443561 /nfs/dbraw/zinc/44/35/61/495443561.db2.gz AGDFBUZZSLHMQZ-KRWDZBQOSA-N 2 0 356.514 3.323 20 0 FGADRP Cc1cccc(CN(CC[NH+](C)C)C(=O)NC2CC[NH+](C(C)(C)C)CC2)c1 ZINC000114938304 495445072 /nfs/dbraw/zinc/44/50/72/495445072.db2.gz YNWKBFMLTGTBTF-UHFFFAOYSA-N 2 0 374.573 3.331 20 0 FGADRP C[C@H](CC(=O)Nc1cccnc1Cl)[NH2+]C[C@H](C)C[NH+]1CCCCC1 ZINC000125566223 495463624 /nfs/dbraw/zinc/46/36/24/495463624.db2.gz CAFINOLSIBHILU-LSDHHAIUSA-N 2 0 352.910 3.164 20 0 FGADRP COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]C[C@@H](C)C[NH+]1CCCC1 ZINC000120939109 495489150 /nfs/dbraw/zinc/48/91/50/495489150.db2.gz AYFXQTPFDNXAIW-CABCVRRESA-N 2 0 367.921 3.387 20 0 FGADRP CC[N@H+](C)Cc1cccc(CNC(=O)NC[C@@H](C)C[NH+]2CCCCC2)c1 ZINC000140973341 495501033 /nfs/dbraw/zinc/50/10/33/495501033.db2.gz YNYFLYWXZLNVPZ-GOSISDBHSA-N 2 0 360.546 3.060 20 0 FGADRP O=C(C[NH+](CC1CC1)CC1CC1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000115562421 495517854 /nfs/dbraw/zinc/51/78/54/495517854.db2.gz SRJCUQVEBDVUFG-UHFFFAOYSA-N 2 0 355.526 3.021 20 0 FGADRP C[C@H](NC(=O)NCc1ccc(C[NH+](C)C)cc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182374087 495536914 /nfs/dbraw/zinc/53/69/14/495536914.db2.gz MHUNPQIFYCLXTF-PXNSSMCTSA-N 2 0 372.557 3.200 20 0 FGADRP O=C([C@H]1CCCCC[NH2+]1)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000580569167 505788015 /nfs/dbraw/zinc/78/80/15/505788015.db2.gz CAGDHRGXVOFXQE-IFMALSPDSA-N 2 0 355.526 3.033 20 0 FGADRP C[C@H]([NH2+]CCCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1ccc(-n2cnnn2)cc1 ZINC000158602745 495547551 /nfs/dbraw/zinc/54/75/51/495547551.db2.gz VTEOPPWOOYDSEC-KSZLIROESA-N 2 0 356.518 3.071 20 0 FGADRP CCCC[NH+]1CCC(NC(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)CC1 ZINC000158658857 495560971 /nfs/dbraw/zinc/56/09/71/495560971.db2.gz VJUIZTREECAMDH-NRFANRHFSA-N 2 0 372.557 3.387 20 0 FGADRP CC[NH+]1CCN(CCC[NH2+][C@H]2CCc3ccc(OC(F)(F)F)cc32)CC1 ZINC000154330620 495583609 /nfs/dbraw/zinc/58/36/09/495583609.db2.gz DVQCFSUZSFSUBQ-SFHVURJKSA-N 2 0 371.447 3.190 20 0 FGADRP C[C@@H]([NH2+]CCCC[NH+]1CCN(C)CC1)[C@@H](C)c1nc2ccccc2s1 ZINC000154388832 495601367 /nfs/dbraw/zinc/60/13/67/495601367.db2.gz KODGBDSXIGYJRS-IAGOWNOFSA-N 2 0 360.571 3.406 20 0 FGADRP CC[C@@H]([NH2+]CCCC[NH+]1CCN(C)CC1)c1ccccc1OC(F)F ZINC000154410776 495608288 /nfs/dbraw/zinc/60/82/88/495608288.db2.gz BPVRCUVFJNLKNJ-QGZVFWFLSA-N 2 0 355.473 3.356 20 0 FGADRP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)C[C@H](O)COc3ccccc3)C2)s1 ZINC000568853091 505793370 /nfs/dbraw/zinc/79/33/70/505793370.db2.gz XIBYGXCTMGQMAC-MOPGFXCFSA-N 2 0 374.550 3.250 20 0 FGADRP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000176492941 495671864 /nfs/dbraw/zinc/67/18/64/495671864.db2.gz VLMLSUBBPIHLFI-IBGZPJMESA-N 2 0 364.578 3.299 20 0 FGADRP CCCCNC(=O)CC[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000159309771 495707006 /nfs/dbraw/zinc/70/70/06/495707006.db2.gz LPDNBCSUMMXNJL-NHCUHLMSSA-N 2 0 357.542 3.279 20 0 FGADRP COC[C@@H](C)[NH2+]Cc1ccccc1C[NH+]1CCN(c2ccccc2)CC1 ZINC000173911242 495744471 /nfs/dbraw/zinc/74/44/71/495744471.db2.gz WIJUOPLQVFVKBS-LJQANCHMSA-N 2 0 353.510 3.133 20 0 FGADRP COc1ccc2cc(C[NH2+]C(C)(C)CCN3CC[NH+](C)CC3)ccc2c1 ZINC000185896350 495770786 /nfs/dbraw/zinc/77/07/86/495770786.db2.gz LQGHNSLODKGCMD-UHFFFAOYSA-N 2 0 355.526 3.354 20 0 FGADRP COc1ccc([C@H](C)C[NH+]2CCN(CC[NH+]3[C@@H](C)CC[C@@H]3C)CC2)cc1 ZINC000179909926 495779118 /nfs/dbraw/zinc/77/91/18/495779118.db2.gz AMRNAFJNAQEIOV-AABGKKOBSA-N 2 0 359.558 3.289 20 0 FGADRP CCS(=O)(=O)C[C@H](C)NCC1([NH2+][C@H](C)c2ccccc2)CCCC1 ZINC000183001712 495792804 /nfs/dbraw/zinc/79/28/04/495792804.db2.gz JDENJDFXZFCWQM-DLBZAZTESA-N 2 0 352.544 3.063 20 0 FGADRP C[N@@H+]1CC[C@H]([NH2+]Cc2cc(Cl)ccc2N2CCOCC2)[C@H]2CCC[C@H]21 ZINC000577847183 505803909 /nfs/dbraw/zinc/80/39/09/505803909.db2.gz ZSZDVIOSQMDUFZ-WSTZPKSXSA-N 2 0 363.933 3.139 20 0 FGADRP CC(C)Cn1ccnc1CNC(=O)N[C@@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000577855213 505805692 /nfs/dbraw/zinc/80/56/92/505805692.db2.gz JRNHUPUKZRLWNG-NRFANRHFSA-N 2 0 369.513 3.003 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@H](c2cccs2)N(C)C)[C@H](C)C1 ZINC000155064071 495821950 /nfs/dbraw/zinc/82/19/50/495821950.db2.gz BATCTUAGZLKHLL-SQNIBIBYSA-N 2 0 353.576 3.077 20 0 FGADRP CC[NH+](CC)CCCNC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000155070136 495823331 /nfs/dbraw/zinc/82/33/31/495823331.db2.gz HZWNWDRQKBWUMF-CTNGQTDRSA-N 2 0 374.573 3.413 20 0 FGADRP CC[NH+](CC)Cc1ccc(CNC(=O)N2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000174130537 495831033 /nfs/dbraw/zinc/83/10/33/495831033.db2.gz PIWJOACFNRMISQ-OAQYLSRUSA-N 2 0 372.557 3.156 20 0 FGADRP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]C[C@H](C(C)C)N1CC[NH+](C)CC1)CC3 ZINC000180070146 495845032 /nfs/dbraw/zinc/84/50/32/495845032.db2.gz UIQQWECQBDYSJV-WZONZLPQSA-N 2 0 368.569 3.195 20 0 FGADRP COc1cc2c(cc1OC)[C@H]([NH2+]CC1(SC)CC[NH+](C)CC1)CC2 ZINC000568920579 505808147 /nfs/dbraw/zinc/80/81/47/505808147.db2.gz KHWVQJAQMAAHPA-MRXNPFEDSA-N 2 0 350.528 3.108 20 0 FGADRP COc1ccc([C@@H](C)[NH2+]Cc2cccc(OCCN3CCOCC3)c2)cc1 ZINC000155180473 495864659 /nfs/dbraw/zinc/86/46/59/495864659.db2.gz VQAYNDBRJOCMED-GOSISDBHSA-N 2 0 370.493 3.257 20 0 FGADRP CC[NH+](CC)C[C@H]1CC[N@H+](CCC(=O)Nc2ccc(Cl)cc2F)C1 ZINC000174214505 495866682 /nfs/dbraw/zinc/86/66/82/495866682.db2.gz MSQOHRSDSBFKPN-CQSZACIVSA-N 2 0 355.885 3.471 20 0 FGADRP CC[N@H+](CCNC(=O)N[C@@H]1c2ccccc2CC[C@@H]1n1ccnc1)C(C)C ZINC000151548140 495873798 /nfs/dbraw/zinc/87/37/98/495873798.db2.gz LEJWZPGFENNMPA-VQTJNVASSA-N 2 0 369.513 3.141 20 0 FGADRP C[C@@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+]C1CCN(Cc2ccccn2)CC1 ZINC000151565646 495879418 /nfs/dbraw/zinc/87/94/18/495879418.db2.gz RSWYYZGQBWBNMO-XXBNENTESA-N 2 0 364.537 3.156 20 0 FGADRP CC(C)[NH+]1CCC(C(=O)NC[C@@H](C[NH+](C)C)c2ccc(Cl)cc2)CC1 ZINC000577877984 505810280 /nfs/dbraw/zinc/81/02/80/505810280.db2.gz ZIQLAYLLTFQEPL-SFHVURJKSA-N 2 0 365.949 3.222 20 0 FGADRP CC(C)C(=O)NCCC[NH2+][C@@H]1CCCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000571768761 505810824 /nfs/dbraw/zinc/81/08/24/505810824.db2.gz NNUZOZQFEOXFIH-FDFHNCONSA-N 2 0 371.569 3.429 20 0 FGADRP CC(C)C(=O)NCCC[NH2+][C@@H]1CCCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000571768764 505811006 /nfs/dbraw/zinc/81/10/06/505811006.db2.gz NNUZOZQFEOXFIH-YPAWHYETSA-N 2 0 371.569 3.429 20 0 FGADRP CN1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@H]1c1ccc(Cl)cc1 ZINC000571773781 505812272 /nfs/dbraw/zinc/81/22/72/505812272.db2.gz BQXRBXBMOUQBJV-QZTJIDSGSA-N 2 0 354.841 3.163 20 0 FGADRP COc1cccc([C@@H](C)[NH2+]Cc2ccc(CN3CC[NH+](C)CC3)cc2)c1 ZINC000177233344 495987638 /nfs/dbraw/zinc/98/76/38/495987638.db2.gz IALNFOHUMFITSH-GOSISDBHSA-N 2 0 353.510 3.293 20 0 FGADRP CC[C@H]([NH2+]C[C@H](C)N1CC[NH+](CC)CC1)c1cc(Cl)ccc1OC ZINC000155593897 496006551 /nfs/dbraw/zinc/00/65/51/496006551.db2.gz KDNOHESRHFOWSU-YJBOKZPZSA-N 2 0 353.938 3.415 20 0 FGADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H](C)c2ccc(Br)s2)CC1 ZINC000155602393 496010175 /nfs/dbraw/zinc/01/01/75/496010175.db2.gz LLVBCMUWWOJEEF-STQMWFEESA-N 2 0 360.365 3.187 20 0 FGADRP COc1ccc([C@H]([NH2+]CC2CC[NH+](CCO)CC2)c2ccccc2)cc1 ZINC000180485618 496017553 /nfs/dbraw/zinc/01/75/53/496017553.db2.gz ZRKMRZIDVNNFPK-JOCHJYFZSA-N 2 0 354.494 3.079 20 0 FGADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1nc(-c2ccccc2)cs1 ZINC000186602898 496068650 /nfs/dbraw/zinc/06/86/50/496068650.db2.gz CYKWEBLFONFEEF-SJORKVTESA-N 2 0 358.555 3.487 20 0 FGADRP C[NH+](C)CC[C@H](NC(=O)NCc1ccccc1C[NH+]1CCCC1)C(C)(C)C ZINC000172109736 496167970 /nfs/dbraw/zinc/16/79/70/496167970.db2.gz UELIVHXSTVRBTQ-FQEVSTJZSA-N 2 0 374.573 3.448 20 0 FGADRP C[C@H]([NH2+]CC(=O)N(C)C1CCCCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000577971776 505830929 /nfs/dbraw/zinc/83/09/29/505830929.db2.gz YSHLJAOGCNCECV-KRWDZBQOSA-N 2 0 361.530 3.069 20 0 FGADRP CC[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)c1ccc(OC)cc1 ZINC000177826628 496212747 /nfs/dbraw/zinc/21/27/47/496212747.db2.gz NRQGWIBLLWEPAR-HXUWFJFHSA-N 2 0 354.498 3.083 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N1CC[C@H]([NH+](CC)CC)C1)c1ccsc1 ZINC000175075392 496238308 /nfs/dbraw/zinc/23/83/08/496238308.db2.gz IDZKZBIBZAUNMV-ZWKOTPCHSA-N 2 0 366.575 3.257 20 0 FGADRP CCN(C(=O)c1cccc(C[NH+](C)C)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000184178992 496273874 /nfs/dbraw/zinc/27/38/74/496273874.db2.gz IYXHYBJZPMJBJE-QFIPXVFZSA-N 2 0 365.521 3.485 20 0 FGADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H](C)c2cc(Br)ccc2F)CC1 ZINC000178034305 496297465 /nfs/dbraw/zinc/29/74/65/496297465.db2.gz OZGMQNCGDWPLDW-UONOGXRCSA-N 2 0 372.326 3.265 20 0 FGADRP CC[NH+]1CCN(c2cccc(NC(=O)[C@@H](C)[NH+]3CCCCCC3)c2)CC1 ZINC000184258084 496306461 /nfs/dbraw/zinc/30/64/61/496306461.db2.gz NVLOWWGFJMXOMR-GOSISDBHSA-N 2 0 358.530 3.032 20 0 FGADRP C[NH+](C)[C@@H](CNC(=O)N1CC[NH+](C2CCCCC2)CC1)c1cccs1 ZINC000178090762 496325846 /nfs/dbraw/zinc/32/58/46/496325846.db2.gz VKARITGMJDDYDI-KRWDZBQOSA-N 2 0 364.559 3.011 20 0 FGADRP CC(C)[NH+]1CCC(NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000175303498 496331090 /nfs/dbraw/zinc/33/10/90/496331090.db2.gz VBGDDDSDUMFXMN-RXVVDRJESA-N 2 0 372.557 3.212 20 0 FGADRP CCS(=O)(=O)c1c(Cl)cccc1C[NH2+]C[C@@H](C)Cn1ccnc1C ZINC000187205027 496338056 /nfs/dbraw/zinc/33/80/56/496338056.db2.gz YZVUUNZCAUOUOK-CYBMUJFWSA-N 2 0 369.918 3.064 20 0 FGADRP CCC[NH+]1CCC(N(C)C(=O)Nc2cccc(-c3nccn3C)c2)CC1 ZINC000175343081 496347309 /nfs/dbraw/zinc/34/73/09/496347309.db2.gz HYUZIBCNAKUIOI-UHFFFAOYSA-N 2 0 355.486 3.425 20 0 FGADRP CCc1ccc([C@@H](CNC(=O)NC2CCC(C[NH+](C)C)CC2)[NH+](C)C)cc1 ZINC000156900111 496359939 /nfs/dbraw/zinc/35/99/39/496359939.db2.gz XPCAWXYNIATHMP-DQVLVPHSSA-N 2 0 374.573 3.271 20 0 FGADRP C[C@@H]([NH2+][C@H](C)c1ccccc1)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000181349002 496363357 /nfs/dbraw/zinc/36/33/57/496363357.db2.gz XVGIDGCSTIRONA-DBXWQHBBSA-N 2 0 351.494 3.116 20 0 FGADRP CN(CCC[N@H+](C)Cc1c(Cl)cccc1N1CCCC1)CC[NH+](C)C ZINC000580801535 505840673 /nfs/dbraw/zinc/84/06/73/505840673.db2.gz NRTALMKOSASPJZ-UHFFFAOYSA-N 2 0 366.981 3.256 20 0 FGADRP O=C(NCC[NH2+]C1CCCCCC1)[C@@H]1C[NH2+]C[C@H]1c1ccc(Cl)cc1 ZINC000578022997 505844157 /nfs/dbraw/zinc/84/41/57/505844157.db2.gz LMUOCOZYPUWIJX-RBUKOAKNSA-N 2 0 363.933 3.072 20 0 FGADRP CC(C)[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)CC1 ZINC000172722957 496403137 /nfs/dbraw/zinc/40/31/37/496403137.db2.gz UTKVENWVTVMTTA-KRWDZBQOSA-N 2 0 363.571 3.197 20 0 FGADRP C[C@@H]([NH2+]Cc1ccc2c(c1)CCC(=O)N2C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000187357134 496408004 /nfs/dbraw/zinc/40/80/04/496408004.db2.gz SYSKEFJKEZYGEK-APWZRJJASA-N 2 0 355.526 3.338 20 0 FGADRP CCC[N@@H+]1CCC[C@H]1C(=O)Nc1cccc(N2CC[NH+](C(C)C)CC2)c1 ZINC000162972328 496442802 /nfs/dbraw/zinc/44/28/02/496442802.db2.gz MABLCAGJTBNZRU-FQEVSTJZSA-N 2 0 358.530 3.030 20 0 FGADRP C[NH+](C)Cc1ccc(C(=O)NC[C@H](C2CC2)[N@H+](C)Cc2ccccc2)cc1 ZINC000187455268 496448662 /nfs/dbraw/zinc/44/86/62/496448662.db2.gz NYNFNWLSNRHYEG-JOCHJYFZSA-N 2 0 365.521 3.389 20 0 FGADRP CC[NH+](CC)CCC[C@@H](C)NC(=O)c1ccc(N2CC[NH+](CC)CC2)cc1 ZINC000175588922 496453588 /nfs/dbraw/zinc/45/35/88/496453588.db2.gz PIAGCXQTBQDHSY-LJQANCHMSA-N 2 0 374.573 3.069 20 0 FGADRP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](Cc2cccc(-c3ccncc3)c2)CC1 ZINC000580821512 505845675 /nfs/dbraw/zinc/84/56/75/505845675.db2.gz WJEVLECQWUBJRB-FGZHOGPDSA-N 2 0 351.494 3.467 20 0 FGADRP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000175613893 496465447 /nfs/dbraw/zinc/46/54/47/496465447.db2.gz NBWRIXDRFANIKE-SFHVURJKSA-N 2 0 364.578 3.347 20 0 FGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]CCCCCOC)CC1 ZINC000181628064 496475987 /nfs/dbraw/zinc/47/59/87/496475987.db2.gz ZGMUTOADOVWKPV-QGZVFWFLSA-N 2 0 351.510 3.435 20 0 FGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]CCOC(C)(C)C)CC1 ZINC000181629736 496477692 /nfs/dbraw/zinc/47/76/92/496477692.db2.gz LXOQCIMINDDIAQ-MRXNPFEDSA-N 2 0 351.510 3.433 20 0 FGADRP C[C@@H]1C[C@@H](NC(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)CC[NH+]1Cc1ccccc1 ZINC000175641975 496479346 /nfs/dbraw/zinc/47/93/46/496479346.db2.gz QNTQDWKCCSDOGA-RMVXJAJNSA-N 2 0 372.557 3.164 20 0 FGADRP C[NH+](C)CCNC(=O)c1cccc(C[NH2+][C@H]2CC(C)(C)c3ccccc32)c1 ZINC000178531630 496489521 /nfs/dbraw/zinc/48/95/21/496489521.db2.gz FSODEQBQSYNANE-NRFANRHFSA-N 2 0 365.521 3.490 20 0 FGADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)CC(=O)Nc2ccc(OC(F)(F)F)cc2)C1 ZINC000163297009 496494919 /nfs/dbraw/zinc/49/49/19/496494919.db2.gz FQSAUKYRORGUPS-KBPBESRZSA-N 2 0 373.419 3.234 20 0 FGADRP C[C@@H]1C[N@@H+](CC2CC[NH+](CCCCC(=O)OC(C)(C)C)CC2)C[C@H](C)O1 ZINC000181691818 496505463 /nfs/dbraw/zinc/50/54/63/496505463.db2.gz UVTQYSSQKIULKT-HDICACEKSA-N 2 0 368.562 3.320 20 0 FGADRP CC[C@H]([NH2+]C[C@H](C)N1CC[NH+](C)CC1)c1cc(F)cc(Br)c1 ZINC000181703119 496510218 /nfs/dbraw/zinc/51/02/18/496510218.db2.gz GDISRPCXNCFMHE-GUYCJALGSA-N 2 0 372.326 3.265 20 0 FGADRP CCC1(CC)[C@H]([NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)C[C@H]1OC ZINC000181708070 496511041 /nfs/dbraw/zinc/51/10/41/496511041.db2.gz WWJJSTAUUZSQLC-NHCUHLMSSA-N 2 0 360.542 3.327 20 0 FGADRP C[NH+](C)[C@@H]1CCc2cc(NC(=O)NC[C@H]3[NH2+]CCc4ccccc43)ccc21 ZINC000569083641 505848627 /nfs/dbraw/zinc/84/86/27/505848627.db2.gz HBVXJKWCMKQYTO-NHCUHLMSSA-N 2 0 364.493 3.244 20 0 FGADRP C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]C[C@@H](CCO)c1ccccc1 ZINC000178655271 496530685 /nfs/dbraw/zinc/53/06/85/496530685.db2.gz YFLOJMLTUQXIAM-UZKOGDIHSA-N 2 0 353.510 3.048 20 0 FGADRP Cc1nn(C)cc1[C@@H](C)[NH2+][C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000178758587 496561679 /nfs/dbraw/zinc/56/16/79/496561679.db2.gz AQFRZZASSCCMJM-LSDHHAIUSA-N 2 0 359.493 3.031 20 0 FGADRP CCC1(CC)[C@@H]([NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)C[C@@H]1OC ZINC000181861172 496575443 /nfs/dbraw/zinc/57/54/43/496575443.db2.gz WLNRYQPJAVHFQF-SFTDATJTSA-N 2 0 360.542 3.327 20 0 FGADRP CCC1(CC)[C@H]([NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)C[C@H]1OC ZINC000181861190 496575722 /nfs/dbraw/zinc/57/57/22/496575722.db2.gz WLNRYQPJAVHFQF-NHCUHLMSSA-N 2 0 360.542 3.327 20 0 FGADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000164271945 496600660 /nfs/dbraw/zinc/60/06/60/496600660.db2.gz QPSIIJNLEQKSBU-OAQYLSRUSA-N 2 0 371.569 3.479 20 0 FGADRP O[C@@H](COc1ccccc1F)C[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000178918151 496617006 /nfs/dbraw/zinc/61/70/06/496617006.db2.gz XWUITYPHORPBLL-LJQANCHMSA-N 2 0 364.505 3.153 20 0 FGADRP Cc1ccccc1OCCC[NH+]1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000153903694 496619579 /nfs/dbraw/zinc/61/95/79/496619579.db2.gz SDWHPZMTNKVJCK-OYRHEFFESA-N 2 0 359.558 3.254 20 0 FGADRP COc1cc([C@@H](C)[NH2+]Cc2ccncc2OCCC[NH+](C)C)ccc1F ZINC000574788863 505856186 /nfs/dbraw/zinc/85/61/86/505856186.db2.gz LHQBGDXRYDYOPV-OAHLLOKOSA-N 2 0 361.461 3.411 20 0 FGADRP CC[C@@H](CNC(=O)CC[C@H]([NH3+])c1ccccc1)[N@@H+]1CCc2ccccc2C1 ZINC000164947900 496641179 /nfs/dbraw/zinc/64/11/79/496641179.db2.gz VKFGXQNYVZWOBT-VXKWHMMOSA-N 2 0 365.521 3.420 20 0 FGADRP C[C@H](Cc1ccccc1)C[NH+]1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000182034603 496642828 /nfs/dbraw/zinc/64/28/28/496642828.db2.gz PTMMOLWQUYACFJ-LJQANCHMSA-N 2 0 373.585 3.281 20 0 FGADRP C[C@H](NC(=O)NCC1CC[NH+](Cc2ccccc2)CC1)C(C)(C)C[NH+](C)C ZINC000176014665 496643206 /nfs/dbraw/zinc/64/32/06/496643206.db2.gz HAUQNTWRSSOIDY-SFHVURJKSA-N 2 0 374.573 3.174 20 0 FGADRP C[C@@H](C[NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1)C[NH+]1CCCC1 ZINC000165266432 496653768 /nfs/dbraw/zinc/65/37/68/496653768.db2.gz ONQALEPZSWFUJP-INIZCTEOSA-N 2 0 363.933 3.266 20 0 FGADRP C[C@@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000158236698 496656844 /nfs/dbraw/zinc/65/68/44/496656844.db2.gz OWCMPOMMEAVNPY-KBPBESRZSA-N 2 0 373.419 3.234 20 0 FGADRP C[NH+](C)CCC1CC[NH+]([C@@H]2CCN(c3ccc(F)c(Cl)c3)C2=O)CC1 ZINC000182073504 496659660 /nfs/dbraw/zinc/65/96/60/496659660.db2.gz VZEDCIRFPNFSOO-GOSISDBHSA-N 2 0 367.896 3.248 20 0 FGADRP CSc1nnc(CCC[NH2+]C2CC[NH+](CC3CC3)CC2)n1CC(C)C ZINC000165637148 496663771 /nfs/dbraw/zinc/66/37/71/496663771.db2.gz CMKQCULOPMRIPB-UHFFFAOYSA-N 2 0 365.591 3.053 20 0 FGADRP C[N@H+](Cc1ccccc1CNC(=O)CC1CC[NH2+]CC1)C1CCCCC1 ZINC000165883584 496671722 /nfs/dbraw/zinc/67/17/22/496671722.db2.gz QXSJLVCIIYGJES-UHFFFAOYSA-N 2 0 357.542 3.457 20 0 FGADRP CC[N@@H+]1CC[C@H]([NH2+]CCCc2cc3c(cc(OC)cc3OC)[nH]2)[C@H](C)C1 ZINC000166339058 496683714 /nfs/dbraw/zinc/68/37/14/496683714.db2.gz BRMFYPAEARAAQQ-BEFAXECRSA-N 2 0 359.514 3.438 20 0 FGADRP CC[C@@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)c1cccc(OC)c1 ZINC000158446893 496703821 /nfs/dbraw/zinc/70/38/21/496703821.db2.gz ABBNZZGGHIKGTP-HXUWFJFHSA-N 2 0 354.498 3.083 20 0 FGADRP C[N@H+](Cc1ccccc1)CC(C)(C)NC(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000571982970 505861996 /nfs/dbraw/zinc/86/19/96/505861996.db2.gz IWTIKCQVKMNVTL-UHFFFAOYSA-N 2 0 366.509 3.364 20 0 FGADRP C[C@H]([NH2+][C@H]1CCN(c2ncccc2F)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000168150884 496708659 /nfs/dbraw/zinc/70/86/59/496708659.db2.gz LGUMUMWUXYYRHG-WMZOPIPTSA-N 2 0 372.488 3.091 20 0 FGADRP C[C@@H]([NH2+][C@@H]1CCN(c2ncccc2F)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000168150781 496708941 /nfs/dbraw/zinc/70/89/41/496708941.db2.gz LGUMUMWUXYYRHG-SJLPKXTDSA-N 2 0 372.488 3.091 20 0 FGADRP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000168705508 496711728 /nfs/dbraw/zinc/71/17/28/496711728.db2.gz DCWPGLQAMCKKRB-UNMCSNQZSA-N 2 0 365.521 3.447 20 0 FGADRP CCO[C@@H]1C[C@@H]([NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H]2CO)C12CCC2 ZINC000182225929 496714019 /nfs/dbraw/zinc/71/40/19/496714019.db2.gz BYJSDVYKYWOMKV-NJDAHSKKSA-N 2 0 358.526 3.081 20 0 FGADRP Cc1ccc(Cl)c(OC[C@H](O)C[NH+]2CCC(C[NH+]3CCCC3)CC2)c1 ZINC000182243842 496718554 /nfs/dbraw/zinc/71/85/54/496718554.db2.gz DRNLIKHBTJXGRS-GOSISDBHSA-N 2 0 366.933 3.196 20 0 FGADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H](C)Cc1ccc(Br)cc1 ZINC000188239561 496721689 /nfs/dbraw/zinc/72/16/89/496721689.db2.gz JJGAFPUDHHJINB-WMLDXEAASA-N 2 0 357.336 3.327 20 0 FGADRP Cc1ccc(Cl)c(OC[C@@H](O)C[NH+]2CCC(CC[NH+](C)C)CC2)c1 ZINC000182259197 496722148 /nfs/dbraw/zinc/72/21/48/496722148.db2.gz AWCIWYLJSWSBJX-KRWDZBQOSA-N 2 0 354.922 3.052 20 0 FGADRP O[C@H]1CC[N@H+](Cc2ccccc2C[NH2+][C@@H]2CCCOc3ccccc32)C1 ZINC000182269679 496723707 /nfs/dbraw/zinc/72/37/07/496723707.db2.gz DPMCZOXKCSPJJB-PZJWPPBQSA-N 2 0 352.478 3.257 20 0 FGADRP CC[NH+](CC)Cc1cccc(CNC(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)c1 ZINC000182316665 496729354 /nfs/dbraw/zinc/72/93/54/496729354.db2.gz TUKDVXHGPUKKTC-SFTDATJTSA-N 2 0 372.557 3.154 20 0 FGADRP CC(C)[NH+]1CCN(CCC[N@H+](C)CCOc2ccc(Cl)cc2)CC1 ZINC000191412506 496754379 /nfs/dbraw/zinc/75/43/79/496754379.db2.gz LEZBDQJWBLJDOJ-UHFFFAOYSA-N 2 0 353.938 3.067 20 0 FGADRP COCCOc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@@H]([NH+](C)C)C2)cc1OC ZINC000247022680 496755805 /nfs/dbraw/zinc/75/58/05/496755805.db2.gz KVTBQDMIRSKESD-CGTJXYLNSA-N 2 0 350.503 3.244 20 0 FGADRP CC(C)[NH+]1CCN(CCC[N@@H+](Cc2ccccc2)C[C@H]2CCCO2)CC1 ZINC000191459178 496769767 /nfs/dbraw/zinc/76/97/67/496769767.db2.gz JDIJGFZLCPARCE-JOCHJYFZSA-N 2 0 359.558 3.084 20 0 FGADRP C[C@@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1ccc(OCC(F)(F)F)cc1 ZINC000268767358 496778399 /nfs/dbraw/zinc/77/83/99/496778399.db2.gz OIGPVFCJISFOEQ-OAHLLOKOSA-N 2 0 373.463 3.304 20 0 FGADRP Cc1c([C@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CC[C@H](O)C2)cnn1C(C)C ZINC000191492077 496782165 /nfs/dbraw/zinc/78/21/65/496782165.db2.gz ORNKXXLYYYCMJW-JXFKEZNVSA-N 2 0 356.514 3.190 20 0 FGADRP CCN1CC[NH+](CCCC[NH2+][C@@H]2CCSc3ccc(OC)cc32)CC1 ZINC000191495184 496783213 /nfs/dbraw/zinc/78/32/13/496783213.db2.gz ZSRBVVGBLKQBJM-LJQANCHMSA-N 2 0 363.571 3.239 20 0 FGADRP C[C@H]([NH2+]CCS(=O)(=O)Cc1ccccc1)c1ccc(-n2ccnc2)cc1 ZINC000268816304 496792466 /nfs/dbraw/zinc/79/24/66/496792466.db2.gz QBWJCEAMPDYFDB-KRWDZBQOSA-N 2 0 369.490 3.138 20 0 FGADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](c2ccc(Cl)cc2)N2CCOCC2)[C@@H](C)C1 ZINC000247164957 496797063 /nfs/dbraw/zinc/79/70/63/496797063.db2.gz YALGRVYFCRVYEK-FFZOFVMBSA-N 2 0 365.949 3.033 20 0 FGADRP O[C@@H](COCc1ccccc1Cl)C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000247207613 496805884 /nfs/dbraw/zinc/80/58/84/496805884.db2.gz CFXBQUOITLTJAQ-PKOBYXMFSA-N 2 0 366.933 3.025 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc(C)nc2ccccc21 ZINC000195094257 496820570 /nfs/dbraw/zinc/82/05/70/496820570.db2.gz BQTHYQJTSWXNNP-GOSISDBHSA-N 2 0 368.525 3.031 20 0 FGADRP C[C@H]1CCC[C@H]([NH+]2CCC([NH2+]CCN3CCc4ccccc4C3=O)CC2)C1 ZINC000191616946 496833671 /nfs/dbraw/zinc/83/36/71/496833671.db2.gz SCFNHLHYDNMMRY-RXVVDRJESA-N 2 0 369.553 3.318 20 0 FGADRP C[C@@H]1C[C@H](NC2CC[NH+](C[C@H]3CCOC3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000268976380 496840868 /nfs/dbraw/zinc/84/08/68/496840868.db2.gz BSUNOSSQXKVJCB-KJXAQDMKSA-N 2 0 371.569 3.130 20 0 FGADRP C[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccc(-n2cccn2)cc1 ZINC000268980231 496841141 /nfs/dbraw/zinc/84/11/41/496841141.db2.gz CSKPNLCSNVMDEM-MSOLQXFVSA-N 2 0 354.498 3.024 20 0 FGADRP COc1cccc2c1CC[C@H]2[NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1 ZINC000269063081 496861214 /nfs/dbraw/zinc/86/12/14/496861214.db2.gz KRMRSWJNTHMDBP-JOCHJYFZSA-N 2 0 366.505 3.429 20 0 FGADRP CC[NH+](CC)CCCNC(=O)C1CC[NH+](Cc2cc(F)cc(F)c2)CC1 ZINC000188842118 496925191 /nfs/dbraw/zinc/92/51/91/496925191.db2.gz RYIILPJLBLEDLD-UHFFFAOYSA-N 2 0 367.484 3.025 20 0 FGADRP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)c1cccc(OC(F)(F)F)c1 ZINC000247960619 496933347 /nfs/dbraw/zinc/93/33/47/496933347.db2.gz GELZVNWDINKVGG-HOCLYGCPSA-N 2 0 360.420 3.473 20 0 FGADRP CC[N@@H+]1CC[C@H](NCC2([NH2+][C@H](C)c3ccccc3)CCOCC2)[C@@H](C)C1 ZINC000248121918 496956182 /nfs/dbraw/zinc/95/61/82/496956182.db2.gz NMGCXNJJQZBSOI-ZVDOUQERSA-N 2 0 359.558 3.206 20 0 FGADRP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(C[NH2+][C@H]3CCc4ccccc43)c2)C1 ZINC000248152080 496964278 /nfs/dbraw/zinc/96/42/78/496964278.db2.gz QWMXMSIPZKUMOS-IRLDBZIGSA-N 2 0 363.505 3.161 20 0 FGADRP Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+]CCCC[N@@H+]1CCC[C@H]1CO ZINC000248155064 496965304 /nfs/dbraw/zinc/96/53/04/496965304.db2.gz RFVKTOMOPCOLHK-YJBOKZPZSA-N 2 0 374.554 3.401 20 0 FGADRP CC(C)[NH2+]C1CCN(C(=O)Nc2cccc([C@@H](C)N3CCOCC3)c2)CC1 ZINC000264768478 496981360 /nfs/dbraw/zinc/98/13/60/496981360.db2.gz RMTSKDWWKRXRAB-QGZVFWFLSA-N 2 0 374.529 3.074 20 0 FGADRP C[C@H](NC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248403602 496997972 /nfs/dbraw/zinc/99/79/72/496997972.db2.gz OTRNGAUXDYYQFW-JENIJYKNSA-N 2 0 366.594 3.305 20 0 FGADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@H](C)[C@H]2CCC[NH+](C3CCC3)C2)C1 ZINC000248407224 496999992 /nfs/dbraw/zinc/99/99/92/496999992.db2.gz UDFWIQALGNLCOQ-QYZOEREBSA-N 2 0 364.578 3.013 20 0 FGADRP CC[C@H](C)NC(=O)CC[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000248408835 497000659 /nfs/dbraw/zinc/00/06/59/497000659.db2.gz VYFWVFOZMZFIJX-FYZZASKESA-N 2 0 357.542 3.182 20 0 FGADRP C[NH+]1CCN(c2ncccc2C[NH2+][C@@H]2CC[C@@H](Cc3ccccc3)C2)CC1 ZINC000189088715 497003717 /nfs/dbraw/zinc/00/37/17/497003717.db2.gz LNZABHFGLWEODH-RBBKRZOGSA-N 2 0 364.537 3.334 20 0 FGADRP C=Cn1cc(C[NH2+]Cc2ccc(OCC[NH+](CC)CC)c(OC)c2)cn1 ZINC000278106984 497007479 /nfs/dbraw/zinc/00/74/79/497007479.db2.gz AJSWZBLTBOSKEZ-UHFFFAOYSA-N 2 0 358.486 3.003 20 0 FGADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000278135854 497016045 /nfs/dbraw/zinc/01/60/45/497016045.db2.gz NOLIMNRHXRNNEF-UHFFFAOYSA-N 2 0 372.557 3.154 20 0 FGADRP C(C[NH+]1CCC([C@H]2CCCO2)CC1)C[NH+]1CCC([C@@H]2CCCO2)CC1 ZINC000189249215 497058261 /nfs/dbraw/zinc/05/82/61/497058261.db2.gz RSANAQPECWQCSU-OYRHEFFESA-N 2 0 350.547 3.159 20 0 FGADRP CCN(CCC[NH+](C)C)C(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000248719190 497086637 /nfs/dbraw/zinc/08/66/37/497086637.db2.gz SDUGTPCSAKQQCL-SJLPKXTDSA-N 2 0 366.575 3.114 20 0 FGADRP CCn1nc(C[NH2+]Cc2cccc(CN3CCOCC3)c2)c2ccccc21 ZINC000274392526 497086997 /nfs/dbraw/zinc/08/69/97/497086997.db2.gz CRCRFEIUIGFBBD-UHFFFAOYSA-N 2 0 364.493 3.178 20 0 FGADRP COc1cc([C@H](C)[NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)ccc1OC(F)F ZINC000278371212 497091937 /nfs/dbraw/zinc/09/19/37/497091937.db2.gz BXCLYNHXNDZCCE-GJZGRUSLSA-N 2 0 372.456 3.448 20 0 FGADRP C[C@H](C(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1)[C@@H]([NH3+])c1ccccc1 ZINC000236624864 497122588 /nfs/dbraw/zinc/12/25/88/497122588.db2.gz UOYRAHYRBUROBF-IRFCIJBXSA-N 2 0 357.542 3.293 20 0 FGADRP CC1CC[NH+](Cc2ccccc2CNC(=O)[C@H]([NH3+])Cc2ccccc2)CC1 ZINC000236630991 497123022 /nfs/dbraw/zinc/12/30/22/497123022.db2.gz ZAFPMQAOBOOONU-JOCHJYFZSA-N 2 0 365.521 3.105 20 0 FGADRP CCC(CC)(C[NH3+])C(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000236655725 497127340 /nfs/dbraw/zinc/12/73/40/497127340.db2.gz HZWVZTYVNIVDNZ-UHFFFAOYSA-N 2 0 351.922 3.186 20 0 FGADRP C[NH+](C)CCc1ccc(C(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000569236213 505886081 /nfs/dbraw/zinc/88/60/81/505886081.db2.gz YMPUSNLFLFDANT-JOCHJYFZSA-N 2 0 365.521 3.185 20 0 FGADRP C[C@@H](Cc1ccc(Br)cc1)[NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000236711418 497135846 /nfs/dbraw/zinc/13/58/46/497135846.db2.gz CCZNXYYVWCLIEK-MAUKXSAKSA-N 2 0 369.347 3.063 20 0 FGADRP Cc1cnccc1OC1CCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000278517725 497140588 /nfs/dbraw/zinc/14/05/88/497140588.db2.gz FSJNFEGRQQEYCX-GOSISDBHSA-N 2 0 371.525 3.414 20 0 FGADRP CC[NH+](CC)CCOc1cc(NC(=O)[C@@H]([NH3+])c2ccccc2)ccc1OC ZINC000236877693 497161139 /nfs/dbraw/zinc/16/11/39/497161139.db2.gz RUPNCFPVUZSEGD-FQEVSTJZSA-N 2 0 371.481 3.054 20 0 FGADRP CCOc1ccc(C2(C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CCOCC2)cc1 ZINC000192728131 497196892 /nfs/dbraw/zinc/19/68/92/497196892.db2.gz ZJCAQWWPRYBFRL-IHWFROFDSA-N 2 0 358.526 3.348 20 0 FGADRP C[NH+](C)[C@H]1CCN(c2ccc(NCc3ncc(C(F)(F)F)s3)nc2)C1 ZINC000278758160 497210448 /nfs/dbraw/zinc/21/04/48/497210448.db2.gz MXATYZGZABFFPS-LBPRGKRZSA-N 2 0 371.432 3.309 20 0 FGADRP C[N@@H+]1CCC[C@@H]2C[NH+](C[C@]3(C)CCN(C(=O)OC(C)(C)C)C3)CC[C@@H]21 ZINC000249515457 497215279 /nfs/dbraw/zinc/21/52/79/497215279.db2.gz QMVNWTBWVSEIIW-UWVAXJGDSA-N 2 0 351.535 3.050 20 0 FGADRP COc1ccc(C[NH+](C)C)cc1NC(=O)CC[N@@H+]1CCc2ccccc2C1 ZINC000578225571 505891945 /nfs/dbraw/zinc/89/19/45/505891945.db2.gz WNXPUQILAVCYJA-UHFFFAOYSA-N 2 0 367.493 3.144 20 0 FGADRP C[C@@H](CC(=O)Nc1ccccc1NC1CC[NH+](C)CC1)[C@@H]1CCC[NH2+]C1 ZINC000237347024 497223232 /nfs/dbraw/zinc/22/32/32/497223232.db2.gz XCLSPHCOZLLDGB-DLBZAZTESA-N 2 0 358.530 3.157 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)[C@@H]([NH3+])Cc2ccccc2)cc1 ZINC000237348525 497224552 /nfs/dbraw/zinc/22/45/52/497224552.db2.gz LQFJOUKNDVQILU-GCJKJVERSA-N 2 0 365.521 3.247 20 0 FGADRP CC(C)[NH+]1CCN(C2CC[NH+](Cc3cccc(OC(F)F)c3)CC2)CC1 ZINC000270912001 497225059 /nfs/dbraw/zinc/22/50/59/497225059.db2.gz OAMALDPSUSZUGJ-UHFFFAOYSA-N 2 0 367.484 3.278 20 0 FGADRP CCc1nc(CN2CCC(C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)cs1 ZINC000192853672 497230229 /nfs/dbraw/zinc/23/02/29/497230229.db2.gz SECKLDQXFHWRNR-JLYLLQBASA-N 2 0 362.587 3.132 20 0 FGADRP C[C@@H](CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C1CC[NH2+]CC1 ZINC000237395982 497230914 /nfs/dbraw/zinc/23/09/14/497230914.db2.gz URTOMELVPKFWKF-IRFPFTSISA-N 2 0 369.553 3.324 20 0 FGADRP C[C@H](c1ccccc1Cl)N1CCN(C(=O)[C@H]([NH3+])Cc2ccccc2)CC1 ZINC000237431804 497235938 /nfs/dbraw/zinc/23/59/38/497235938.db2.gz LQTQEDXYCGCDLX-OXQOHEQNSA-N 2 0 371.912 3.115 20 0 FGADRP C[C@@H](C(=O)Nc1ccc(C[NH3+])cc1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000237480711 497243472 /nfs/dbraw/zinc/24/34/72/497243472.db2.gz ALPJSTIIUMAOIZ-KRWDZBQOSA-N 2 0 351.494 3.427 20 0 FGADRP COc1ccc([C@@H](CNC(=O)C2([NH3+])CCCCC2)[NH+]2CCCCC2)cc1 ZINC000237486249 497244725 /nfs/dbraw/zinc/24/47/25/497244725.db2.gz OFBSWOWHJZHMKK-LJQANCHMSA-N 2 0 359.514 3.000 20 0 FGADRP CC(C)(C)OC(=O)N1CCC([NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000192934855 497251540 /nfs/dbraw/zinc/25/15/40/497251540.db2.gz FTYISRLYPYVSTC-LJQANCHMSA-N 2 0 373.541 3.498 20 0 FGADRP C[C@H](CC(=O)N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000237578521 497258234 /nfs/dbraw/zinc/25/82/34/497258234.db2.gz VGVGVDJNQNAQMX-SVFBPWRDSA-N 2 0 357.542 3.135 20 0 FGADRP C[C@@H]1C[C@H](N(C)C(=O)c2ccc(C[NH3+])cc2)CC[N@@H+]1Cc1ccccc1 ZINC000237586374 497259202 /nfs/dbraw/zinc/25/92/02/497259202.db2.gz PLVYQKPQLVQXDU-DYESRHJHSA-N 2 0 351.494 3.270 20 0 FGADRP COc1cc(Br)c(CNC2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1OC ZINC000192981528 497266018 /nfs/dbraw/zinc/26/60/18/497266018.db2.gz NHWFEYLXQSUBKA-AGUYFDCRSA-N 2 0 369.303 3.181 20 0 FGADRP C[C@H](CC(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)[C@@H]1CCC[NH2+]C1 ZINC000237651317 497269996 /nfs/dbraw/zinc/26/99/96/497269996.db2.gz QNAAXYXKQSNNMR-FGTMMUONSA-N 2 0 363.571 3.102 20 0 FGADRP CC[NH+](CC)Cc1ccc(C(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000266167418 497272296 /nfs/dbraw/zinc/27/22/96/497272296.db2.gz QEEKQSDOJVQKET-HXUWFJFHSA-N 2 0 357.542 3.476 20 0 FGADRP C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)N3CC[C@@H](C[NH+](C)C)C3)cc2)C1 ZINC000251673160 497281343 /nfs/dbraw/zinc/28/13/43/497281343.db2.gz MEBFNELFJLEVQT-NQIIRXRSSA-N 2 0 372.557 3.012 20 0 FGADRP CC[C@]1(CO)CCC[NH+]1Cc1cccc(C[N@H+]2CCC[C@]2(CC)CO)c1 ZINC000251948731 497292123 /nfs/dbraw/zinc/29/21/23/497292123.db2.gz VFTGRCGODLQNHV-FGZHOGPDSA-N 2 0 360.542 3.160 20 0 FGADRP CC(C)[N@@H+]1[C@@H]2CC[C@H]1CN(C(=O)NCC(C)(C)[NH+]1CCC[C@@H](C)C1)CC2 ZINC000252538678 497311391 /nfs/dbraw/zinc/31/13/91/497311391.db2.gz NEHBVUDIPJKVSO-QRVBRYPASA-N 2 0 364.578 3.154 20 0 FGADRP CC[N@H+](C)C[C@@H]1CC[NH+](C[C@@H](O)Cn2c3ccccc3c3ccccc32)C1 ZINC000245436383 497405630 /nfs/dbraw/zinc/40/56/30/497405630.db2.gz DHOIHUBNFVZMMF-RBUKOAKNSA-N 2 0 365.521 3.429 20 0 FGADRP O=C(NC[C@@H]1CCCN(Cc2ccc(Cl)cc2Cl)C1)[C@H]1CCC[NH2+]1 ZINC000261597122 497416320 /nfs/dbraw/zinc/41/63/20/497416320.db2.gz ACGFGRHLQROYOI-SUMWQHHRSA-N 2 0 370.324 3.074 20 0 FGADRP C[C@H](NC(=O)CC1(C[NH3+])CCCCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261651681 497427415 /nfs/dbraw/zinc/42/74/15/497427415.db2.gz YIVBCEOZVSIFDL-ICSRJNTNSA-N 2 0 357.542 3.313 20 0 FGADRP C[NH2+][C@@H]1CCCN(C(=O)c2cccc(C[N@H+](C)Cc3ccccc3)c2)C1 ZINC000261722349 497439687 /nfs/dbraw/zinc/43/96/87/497439687.db2.gz LRUMVZIHVNHENW-OAQYLSRUSA-N 2 0 351.494 3.143 20 0 FGADRP C[NH+](CCCCC[N@@H+](C)C[C@@H]1CCCC[C@@H]1O)C[C@@H]1CCCC[C@H]1O ZINC000245552443 497452842 /nfs/dbraw/zinc/45/28/42/497452842.db2.gz QLTPCUJDGOWDSD-XSDIEEQYSA-N 2 0 354.579 3.123 20 0 FGADRP CCC(CC)(C[NH3+])C(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000261826649 497458245 /nfs/dbraw/zinc/45/82/45/497458245.db2.gz NXAULELSMKWRPK-OAQYLSRUSA-N 2 0 357.542 3.266 20 0 FGADRP CC[C@@H](c1ccncc1)[N@H+](C)C[C@@H](O)Cn1cnc2cc(C)c(C)cc21 ZINC000245612689 497474704 /nfs/dbraw/zinc/47/47/04/497474704.db2.gz LSVGTJBZMAWQEO-QUCCMNQESA-N 2 0 352.482 3.492 20 0 FGADRP C[NH2+]CCC1CC[NH+](CC(=O)N(C)[C@@H](C)c2cc3ccccc3o2)CC1 ZINC000261989341 497488809 /nfs/dbraw/zinc/48/88/09/497488809.db2.gz LBWBBCRHXQQATB-INIZCTEOSA-N 2 0 357.498 3.274 20 0 FGADRP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+][C@@H]2CCN(c4ccccn4)C2)C3)cc1 ZINC000245670578 497494670 /nfs/dbraw/zinc/49/46/70/497494670.db2.gz HHEFVXZJJJAXOS-YUMYIRISSA-N 2 0 362.521 3.446 20 0 FGADRP CC(C)[NH2+]C1CCN(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000267312978 497524010 /nfs/dbraw/zinc/52/40/10/497524010.db2.gz CFADBXQOUBJCIP-GHTZIAJQSA-N 2 0 372.557 3.069 20 0 FGADRP CN(c1ccccc1C[N@@H+]1CC[C@@H]2OCCC[C@H]2C1)C1CC[NH+](C)CC1 ZINC000245765181 497532243 /nfs/dbraw/zinc/53/22/43/497532243.db2.gz QQDOWVAZWVXXPQ-UGKGYDQZSA-N 2 0 357.542 3.218 20 0 FGADRP C[C@H](CCc1ccc(C(F)(F)F)cc1)[NH2+]CCCN1CC[NH+](C)CC1 ZINC000193971408 497536157 /nfs/dbraw/zinc/53/61/57/497536157.db2.gz UTUHPVBLRAHTJY-MRXNPFEDSA-N 2 0 357.464 3.254 20 0 FGADRP C[C@H]1C[C@@H](C(=O)NCc2ccccc2C[N@H+](C)C2CCCCC2)CC[NH2+]1 ZINC000262364006 497545591 /nfs/dbraw/zinc/54/55/91/497545591.db2.gz JAMUPRJNTLKVLG-ROUUACIJSA-N 2 0 357.542 3.455 20 0 FGADRP C[NH+]1CCC(Nc2ccccc2NC(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])CC1 ZINC000262379365 497547447 /nfs/dbraw/zinc/54/74/47/497547447.db2.gz MUFFXIYLLHNYNF-FAQHILDVSA-N 2 0 370.541 3.285 20 0 FGADRP COCC1(C(=O)Nc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)CC[NH2+]CC1 ZINC000262432449 497555552 /nfs/dbraw/zinc/55/55/52/497555552.db2.gz WTHITUKNFWQRSJ-QGZVFWFLSA-N 2 0 359.514 3.016 20 0 FGADRP Cc1ccc([C@@H]([NH3+])C(=O)NC2CC[NH+]([C@@H](C)c3ccccc3)CC2)cc1 ZINC000262603774 497581377 /nfs/dbraw/zinc/58/13/77/497581377.db2.gz AMSQZKDKTOTPTI-LAUBAEHRSA-N 2 0 351.494 3.337 20 0 FGADRP Cc1ccc([C@H]([NH3+])C(=O)NC2CCN(Cc3ccc(F)c(F)c3)CC2)cc1 ZINC000262624020 497586363 /nfs/dbraw/zinc/58/63/63/497586363.db2.gz FPDOKJZYZDAODT-FQEVSTJZSA-N 2 0 373.447 3.054 20 0 FGADRP C[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)[C@H]([NH3+])c1ccccc1 ZINC000262648875 497591347 /nfs/dbraw/zinc/59/13/47/497591347.db2.gz PSTHZMKRKNKTOS-HXHBTQRASA-N 2 0 365.521 3.492 20 0 FGADRP C[C@H]1CCC[N@H+](Cc2ccc(C[NH2+]CCC(=O)Nc3cccnc3)cc2)C1 ZINC000572216813 505916576 /nfs/dbraw/zinc/91/65/76/505916576.db2.gz RFCNBTMAKNTTBO-SFHVURJKSA-N 2 0 366.509 3.432 20 0 FGADRP Cc1ccc([C@H]([NH3+])C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000262670711 497595230 /nfs/dbraw/zinc/59/52/30/497595230.db2.gz RKPUTHRXXICXGV-WMQCIHAUSA-N 2 0 351.494 3.164 20 0 FGADRP CC(C)N(C)c1ccc(C[NH2+]Cc2ccc(OCC[NH+](C)C)cc2)cn1 ZINC000190785550 497602905 /nfs/dbraw/zinc/60/29/05/497602905.db2.gz CNPXAQGPSDPCOM-UHFFFAOYSA-N 2 0 356.514 3.156 20 0 FGADRP CCC(CC)(CNC(=O)[C@@H]([NH3+])CCSC)[NH2+][C@H](C)c1ccccc1 ZINC000272470856 497637989 /nfs/dbraw/zinc/63/79/89/497637989.db2.gz QDVBVGQAMWDECO-WBVHZDCISA-N 2 0 351.560 3.093 20 0 FGADRP COc1ccc2oc([C@@H](C)NCc3nnc(C4CC[NH2+]CC4)[nH]3)c(C)c2c1 ZINC000578349654 505919833 /nfs/dbraw/zinc/91/98/33/505919833.db2.gz KJAVGDOGYBFYPF-CYBMUJFWSA-N 2 0 369.469 3.186 20 0 FGADRP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000246181286 497650946 /nfs/dbraw/zinc/65/09/46/497650946.db2.gz CFEWUFIQGMMIMZ-FCEUIQTBSA-N 2 0 371.569 3.383 20 0 FGADRP COc1ccccc1[C@H](CNC(=O)[C@@H]1CCCC[C@@]1(C)[NH3+])[NH+]1CCCCC1 ZINC000262905127 497651919 /nfs/dbraw/zinc/65/19/19/497651919.db2.gz FATLZWFZPZSCFA-CNNODRBYSA-N 2 0 373.541 3.246 20 0 FGADRP CCN1CC[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H](O)CO[C@H]1CCCc2ccccc21 ZINC000246192913 497655607 /nfs/dbraw/zinc/65/56/07/497655607.db2.gz VUGBDACYZFRVEG-DYQZNNLLSA-N 2 0 358.526 3.000 20 0 FGADRP C[C@@H]1C[C@H]([NH2+][C@@H](Cc2ccccc2)C(=O)NCC[NH+](C)C)c2ccccc21 ZINC000578362372 505922909 /nfs/dbraw/zinc/92/29/09/505922909.db2.gz NOVCOSJGHKGGCF-WTNAPCKOSA-N 2 0 365.521 3.114 20 0 FGADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N2CC[C@H]3CC[C@@H](C2)[NH+]3C(C)C)C1 ZINC000246296584 497687697 /nfs/dbraw/zinc/68/76/97/497687697.db2.gz ACOBVYWYUKEZFT-AQNXPRMDSA-N 2 0 364.578 3.011 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CCC[NH+](Cc3ccccc3)C2)[C@@H](C)C1 ZINC000246341301 497701342 /nfs/dbraw/zinc/70/13/42/497701342.db2.gz DTAHULUFNHJSSE-TYPHKJRUSA-N 2 0 372.557 3.023 20 0 FGADRP CCOC(=O)N1CCC([NH2+][C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000272695296 497703752 /nfs/dbraw/zinc/70/37/52/497703752.db2.gz XPXJXPKWYYMKLA-IEBWSBKVSA-N 2 0 359.514 3.108 20 0 FGADRP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)CC3 ZINC000272707471 497708606 /nfs/dbraw/zinc/70/86/06/497708606.db2.gz ZYOLZRDFKINOQB-NLSFWIRASA-N 2 0 367.537 3.301 20 0 FGADRP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000246393473 497718985 /nfs/dbraw/zinc/71/89/85/497718985.db2.gz SNLXBRZIFHLUJZ-UKAVVXHISA-N 2 0 372.557 3.021 20 0 FGADRP CC(C)n1ncc2cc(CN3CC[C@@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)cnc21 ZINC000246465595 497743271 /nfs/dbraw/zinc/74/32/71/497743271.db2.gz FRYBHIZMWPLKHV-FXAWDEMLSA-N 2 0 353.514 3.461 20 0 FGADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@H](c1cccc(Cl)c1)N1CCOCC1 ZINC000246469003 497744350 /nfs/dbraw/zinc/74/43/50/497744350.db2.gz QJVKHPSZVVVPBG-YAJHFMINSA-N 2 0 365.949 3.032 20 0 FGADRP c1csc(N2CCC([NH2+]C[C@@H]3CC[N@@H+](CCc4ccccc4)C3)CC2)n1 ZINC000272851912 497745607 /nfs/dbraw/zinc/74/56/07/497745607.db2.gz JTAZDAXJOIBTPL-IBGZPJMESA-N 2 0 370.566 3.266 20 0 FGADRP Cc1ccccc1CN(C)C(=O)[C@H](C)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000246481255 497748691 /nfs/dbraw/zinc/74/86/91/497748691.db2.gz GOSHYJHOUWUQSH-DWLFOUALSA-N 2 0 369.553 3.291 20 0 FGADRP Fc1ccc(-n2cc(CNC3CC[NH+](C4CCC4)CC3)nn2)cc1Cl ZINC000272878659 497751100 /nfs/dbraw/zinc/75/11/00/497751100.db2.gz UZXNGUOSFGNVDC-UHFFFAOYSA-N 2 0 363.868 3.166 20 0 FGADRP CC[NH+](CC)CCN(Cc1ccccc1)C(=O)C[C@H](C)C1CC[NH2+]CC1 ZINC000263299094 497753454 /nfs/dbraw/zinc/75/34/54/497753454.db2.gz YVGRAQDREFQGQT-IBGZPJMESA-N 2 0 359.558 3.383 20 0 FGADRP C[C@@]1([NH3+])CCCC[C@@H]1C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000263310250 497754732 /nfs/dbraw/zinc/75/47/32/497754732.db2.gz YLRXVWMQYKYJJI-UYAOXDASSA-N 2 0 361.555 3.124 20 0 FGADRP C[C@@H](O)C[C@@H]1CCC[N@@H+]1Cc1ccc(C[NH+]2CCC[C@H]2C[C@H](C)O)cc1 ZINC000246581602 497781483 /nfs/dbraw/zinc/78/14/83/497781483.db2.gz GDQRNDUHTJCVHH-UDKICSLYSA-N 2 0 360.542 3.157 20 0 FGADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000246823170 497814069 /nfs/dbraw/zinc/81/40/69/497814069.db2.gz CMJCKYBNVOAYPS-RTWAWAEBSA-N 2 0 357.542 3.089 20 0 FGADRP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@H](C)C1)c1ccc(NS(C)(=O)=O)cc1 ZINC000246918915 497820368 /nfs/dbraw/zinc/82/03/68/497820368.db2.gz GPKRMQJBXLKKHC-DLBZAZTESA-N 2 0 367.559 3.221 20 0 FGADRP C[C@H](C(=O)NCCC1=CCCCC1)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000246928935 497820856 /nfs/dbraw/zinc/82/08/56/497820856.db2.gz SXSXMTLYAFLUOV-QFUCXCTJSA-N 2 0 359.558 3.330 20 0 FGADRP C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)C[C@@H]2CCC[NH2+]CC2)CC1 ZINC000364212734 497842853 /nfs/dbraw/zinc/84/28/53/497842853.db2.gz KPKBATVZCMOOAQ-LJQANCHMSA-N 2 0 357.542 3.137 20 0 FGADRP C[C@@H](CCCC[NH3+])NC(=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000292058426 497859053 /nfs/dbraw/zinc/85/90/53/497859053.db2.gz JXAGBKOJJRCGTM-MAUKXSAKSA-N 2 0 371.447 3.075 20 0 FGADRP CSc1ccc(OC[C@@H](O)C[NH2+]C2CC[NH+](C3CCCC3)CC2)cc1 ZINC000572356554 505948488 /nfs/dbraw/zinc/94/84/88/505948488.db2.gz MVMUDQAQHZABGS-SFHVURJKSA-N 2 0 364.555 3.145 20 0 FGADRP COC[C@H]([NH2+]CCCN1CC[NH+](C(C)C)CC1)c1cccc(Cl)c1 ZINC000288906766 497938163 /nfs/dbraw/zinc/93/81/63/497938163.db2.gz SZEZLNMTWQZLKC-IBGZPJMESA-N 2 0 353.938 3.033 20 0 FGADRP Cc1cccc(N2CC[NH+](CCCCNc3cc(C)nc(C)n3)CC2)c1 ZINC000301068850 497938248 /nfs/dbraw/zinc/93/82/48/497938248.db2.gz GICWOVMPMFLJCE-UHFFFAOYSA-N 2 0 353.514 3.416 20 0 FGADRP C[C@@H](c1ccc(-n2ccnc2)cc1)[N@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1 ZINC000296265431 497976349 /nfs/dbraw/zinc/97/63/49/497976349.db2.gz DLJVHVFJLAILHA-JENIJYKNSA-N 2 0 360.461 3.214 20 0 FGADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+]CCC(=O)N2CCCCC2)CC1 ZINC000285449765 498088564 /nfs/dbraw/zinc/08/85/64/498088564.db2.gz ZKZXSBGQRRLWLR-UHFFFAOYSA-N 2 0 357.542 3.422 20 0 FGADRP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H]2CCCN(C(=O)Oc3ccccc3)CC2)C1 ZINC000289342332 498112387 /nfs/dbraw/zinc/11/23/87/498112387.db2.gz XCBIKTZSPBJKNV-OALUTQOASA-N 2 0 359.514 3.361 20 0 FGADRP Cc1ccccc1[C@H]([C@@H](C)NC(=O)Nc1cccc2c1CC[NH2+]C2)[NH+](C)C ZINC000572494726 505982511 /nfs/dbraw/zinc/98/25/11/505982511.db2.gz LAXOCYIOZXGKPR-IERDGZPVSA-N 2 0 366.509 3.454 20 0 FGADRP C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000285586309 498138710 /nfs/dbraw/zinc/13/87/10/498138710.db2.gz BCQIPDJHMVWXCB-GHTZIAJQSA-N 2 0 355.526 3.371 20 0 FGADRP CC[C@@H](C)[NH2+][C@@H](CNC(=O)N1CCC[N@@H+](C(C)(C)C)CC1)c1ccco1 ZINC000572511962 505986966 /nfs/dbraw/zinc/98/69/66/505986966.db2.gz IQYNNZKZTPUIHW-SJORKVTESA-N 2 0 364.534 3.225 20 0 FGADRP O[C@H]1CCC[NH+](Cc2cc(Cl)cc(C[N@H+]3CCC[C@H](O)CC3)c2)CC1 ZINC000296709281 498163934 /nfs/dbraw/zinc/16/39/34/498163934.db2.gz LTBPGRGFMIJPIM-PMACEKPBSA-N 2 0 366.933 3.034 20 0 FGADRP C[C@H]1C[C@H]([NH2+]CCc2ccc(OCC[NH+]3CCCC3)cc2)c2nccn21 ZINC000296883389 498235642 /nfs/dbraw/zinc/23/56/42/498235642.db2.gz OHQGNPFXXSLRPZ-PXNSSMCTSA-N 2 0 354.498 3.196 20 0 FGADRP C[C@H](CC(=O)N1CCCC[C@@H]1[C@H](C[NH3+])Cc1ccccc1)C1CC[NH2+]CC1 ZINC000364999126 498248189 /nfs/dbraw/zinc/24/81/89/498248189.db2.gz DIILNRYDPARLFQ-BVYCBKJFSA-N 2 0 371.569 3.211 20 0 FGADRP Cc1nnc(CC[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)s1 ZINC000289789710 498294906 /nfs/dbraw/zinc/29/49/06/498294906.db2.gz NFBNFYVZZZUUGH-GBESFXJTSA-N 2 0 356.539 3.279 20 0 FGADRP Cc1cnn([C@@H]2CC[NH+](CCCCC[N@H+]3CC[C@@H](n4cc(C)cn4)C3)C2)c1 ZINC000289903324 498345872 /nfs/dbraw/zinc/34/58/72/498345872.db2.gz NNZJDZJIZISBGE-NHCUHLMSSA-N 2 0 370.545 3.061 20 0 FGADRP Fc1ccc(-n2nc(C[N@@H+]3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)c3c2CCC3)cc1 ZINC000569811127 506021951 /nfs/dbraw/zinc/02/19/51/506021951.db2.gz LSLWCROXENFFBA-IAGOWNOFSA-N 2 0 368.500 3.322 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)c2ccccc2CC[NH3+])CC1 ZINC000572657554 506022127 /nfs/dbraw/zinc/02/21/27/506022127.db2.gz MMFFFPJHCXABIX-GOSISDBHSA-N 2 0 357.542 3.305 20 0 FGADRP CCc1c(C)[nH+]c2ccccc2c1N1CC[C@H]([NH+]2CCN(CC)CC2)C1 ZINC000302051383 498385650 /nfs/dbraw/zinc/38/56/50/498385650.db2.gz OUHGVIOABARISZ-SFHVURJKSA-N 2 0 352.526 3.322 20 0 FGADRP CCOc1cc(C[NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)ccc1O ZINC000297317946 498403759 /nfs/dbraw/zinc/40/37/59/498403759.db2.gz CBFRBKAKEOFPMX-UHFFFAOYSA-N 2 0 370.493 3.037 20 0 FGADRP C[NH+](C)C1CCN(C(=O)C2CC[NH+](Cc3ccc(Cl)s3)CC2)CC1 ZINC000365326197 498407805 /nfs/dbraw/zinc/40/78/05/498407805.db2.gz RQQBZYLFSJQDFO-UHFFFAOYSA-N 2 0 369.962 3.166 20 0 FGADRP Cc1cccc(CN(CC[NH+](C)C)C(=O)NC2CC[NH+](C3CCC3)CC2)c1 ZINC000297342594 498412119 /nfs/dbraw/zinc/41/21/19/498412119.db2.gz CDKSKLHYPSQQTC-UHFFFAOYSA-N 2 0 372.557 3.085 20 0 FGADRP C[C@H]1CCCC[N@@H+]1CCNC(=O)[C@H]1CCn2c(cnc2-c2ccccc2)C1 ZINC000361685279 498419308 /nfs/dbraw/zinc/41/93/08/498419308.db2.gz MTONHLAJGSTDEZ-HKUYNNGSSA-N 2 0 366.509 3.103 20 0 FGADRP C[N@H+](Cc1ccccc1)CC(C)(C)CN1CC[NH+]([C@H]2CCSC2)CC1 ZINC000362013672 498453216 /nfs/dbraw/zinc/45/32/16/498453216.db2.gz QBAUCIQFIUCSSU-FQEVSTJZSA-N 2 0 361.599 3.268 20 0 FGADRP CC(C)n1cc(C2=CCC[N@@H+](C3CCN(c4cc[nH+]cc4)CC3)CC2)nn1 ZINC000572724918 506037369 /nfs/dbraw/zinc/03/73/69/506037369.db2.gz KMCHSAJWIIUZRX-UHFFFAOYSA-N 2 0 366.513 3.402 20 0 FGADRP C[NH+](C)[C@@H]1CCC[C@H](Nc2cc(N[C@H]3CCC[C@H]([NH+](C)C)C3)ncn2)C1 ZINC000302304607 498467121 /nfs/dbraw/zinc/46/71/21/498467121.db2.gz QZEWFDCYLIAWOK-XLAORIBOSA-N 2 0 360.550 3.046 20 0 FGADRP CC(C)[N@H+](C)Cc1ccccc1C[NH2+]Cc1cnc(C2OCCO2)s1 ZINC000290413659 498542971 /nfs/dbraw/zinc/54/29/71/498542971.db2.gz QICHHNJOZNZZOZ-UHFFFAOYSA-N 2 0 361.511 3.319 20 0 FGADRP C[C@@H]([NH2+]Cc1ccncc1OCCC[NH+](C)C)c1ccc2c(c1)CCO2 ZINC000290496288 498574143 /nfs/dbraw/zinc/57/41/43/498574143.db2.gz XYRLGEYVNBMKIE-MRXNPFEDSA-N 2 0 355.482 3.198 20 0 FGADRP C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000287042844 498603742 /nfs/dbraw/zinc/60/37/42/498603742.db2.gz IXLYJIDQOMXKBT-RXVVDRJESA-N 2 0 355.526 3.371 20 0 FGADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)NC[C@@]2([NH+](C)C)CCC[C@H](C)C2)C1 ZINC000302937365 498631846 /nfs/dbraw/zinc/63/18/46/498631846.db2.gz ASABJMXLXIWZOM-QKNQBKEWSA-N 2 0 366.594 3.308 20 0 FGADRP CC[C@@H](Cn1cncn1)[NH2+]CC1(CC)CC[NH+](Cc2ccccc2)CC1 ZINC000576077654 506071099 /nfs/dbraw/zinc/07/10/99/506071099.db2.gz YOZALJYPKUABHA-FQEVSTJZSA-N 2 0 355.530 3.339 20 0 FGADRP C[C@H](CNC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1)[N@H+](C)Cc1ccccc1 ZINC000303517343 498684499 /nfs/dbraw/zinc/68/44/99/498684499.db2.gz YHEKQZDLFMMVSL-TZIWHRDSSA-N 2 0 372.557 3.167 20 0 FGADRP Cn1cc([C@@H]2[C@H](C[NH2+]Cc3cnc(C(C)(C)C)s3)CCCN2C)cn1 ZINC000363177637 498688505 /nfs/dbraw/zinc/68/85/05/498688505.db2.gz WNEFZMUCAZGTRB-YOEHRIQHSA-N 2 0 361.559 3.347 20 0 FGADRP CCc1nc(CN2CCCN(c3ccnc4ccncc43)CC2)cs1 ZINC000365924924 498700583 /nfs/dbraw/zinc/70/05/83/498700583.db2.gz OZQMFLLZORIAOE-UHFFFAOYSA-N 2 0 353.495 3.361 20 0 FGADRP Cc1cc(C)c(CNC(=O)N[C@H]2CCN(C)[C@H]2c2ccc(F)c(F)c2)cn1 ZINC000576113130 506080808 /nfs/dbraw/zinc/08/08/08/506080808.db2.gz TXBJVEBSTPRQSI-OALUTQOASA-N 2 0 374.435 3.221 20 0 FGADRP CC(C)Oc1ccc([C@@H](O)C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000298372256 498747589 /nfs/dbraw/zinc/74/75/89/498747589.db2.gz KSWNXDGQTQYDMD-NRFANRHFSA-N 2 0 355.482 3.161 20 0 FGADRP [NH3+]CCC1CC[NH+](CC(=O)NCC2(c3ccccc3)CCCCC2)CC1 ZINC000581889099 506083486 /nfs/dbraw/zinc/08/34/86/506083486.db2.gz GTSPBRQKOJUCNC-UHFFFAOYSA-N 2 0 357.542 3.066 20 0 FGADRP C[C@@H]1[C@@H]([NH2+]C2CCN(c3nccs3)CC2)CCN1Cc1ccccc1 ZINC000287421386 498749864 /nfs/dbraw/zinc/74/98/64/498749864.db2.gz SHJUJTXYBQNSCD-APWZRJJASA-N 2 0 356.539 3.365 20 0 FGADRP CSc1ccc([C@H](CNC(=O)C2CC[NH+](C3CC3)CC2)[NH+](C)C)cc1 ZINC000294642648 498759906 /nfs/dbraw/zinc/75/99/06/498759906.db2.gz DAXIXIDPHNTCAU-IBGZPJMESA-N 2 0 361.555 3.002 20 0 FGADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H](C)c1ccc(N2CCCOC2=O)cc1 ZINC000294648600 498761618 /nfs/dbraw/zinc/76/16/18/498761618.db2.gz GQIRVWIHKZVQRL-APWZRJJASA-N 2 0 363.502 3.041 20 0 FGADRP COc1cc(NC2CC[NH+](CC[C@H]3CCCC[N@@H+]3C)CC2)cc(OC)c1 ZINC000366170343 498805788 /nfs/dbraw/zinc/80/57/88/498805788.db2.gz VAHINTJGMXQZQM-LJQANCHMSA-N 2 0 361.530 3.455 20 0 FGADRP c1ccc(-c2noc(CCC[N@@H+]3C[C@@H]4C[NH+]5CCCC[C@H]5[C@@H]4C3)n2)cc1 ZINC000363414146 498807311 /nfs/dbraw/zinc/80/73/11/498807311.db2.gz KPAQVXAYKKMNFQ-QRVBRYPASA-N 2 0 352.482 3.085 20 0 FGADRP CC1CC[NH+](CCC[C@@H]([NH2+]C[C@@]2(O)CCOC2)c2ccc(F)cc2)CC1 ZINC000291141745 498812451 /nfs/dbraw/zinc/81/24/51/498812451.db2.gz HRPXIRHVHZUFDA-RTWAWAEBSA-N 2 0 364.505 3.120 20 0 FGADRP [NH3+][C@@H]1CCCCC[C@H]1NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000581937852 506094470 /nfs/dbraw/zinc/09/44/70/506094470.db2.gz YKACNDAUIOKBAF-YPAWHYETSA-N 2 0 371.569 3.165 20 0 FGADRP CCOC(=O)c1c(C)c2ccccc2nc1C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000573001455 506096957 /nfs/dbraw/zinc/09/69/57/506096957.db2.gz QHIYZFOMDYORGN-UHFFFAOYSA-N 2 0 367.493 3.295 20 0 FGADRP CC(C)[NH+]1CCN([C@H]2CC[N@H+](CCOc3cccc4ccccc43)C2)CC1 ZINC000363451991 498828995 /nfs/dbraw/zinc/82/89/95/498828995.db2.gz ZJVDIEPLFGTGOB-NRFANRHFSA-N 2 0 367.537 3.319 20 0 FGADRP CCn1ccnc1[C@H](C)NC(=O)NCC[NH+]1CCC2(CCCCC2)CC1 ZINC000570137924 506098581 /nfs/dbraw/zinc/09/85/81/506098581.db2.gz KAOHFSOXTBVREL-KRWDZBQOSA-N 2 0 361.534 3.310 20 0 FGADRP C[C@H](NC(=O)c1ccc(CC[NH+](C)C)cc1)[C@@H](c1ccccc1)[NH+](C)C ZINC000581953634 506099593 /nfs/dbraw/zinc/09/95/93/506099593.db2.gz UWPZSMWFOJGELK-UWJYYQICSA-N 2 0 353.510 3.212 20 0 FGADRP CC[NH+](CC)[C@H](C)CNC(=O)NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000576201544 506100134 /nfs/dbraw/zinc/10/01/34/506100134.db2.gz BPYNOUBMXQXBRM-TZIWHRDSSA-N 2 0 374.573 3.318 20 0 FGADRP CCOC(=O)c1ccc(C[NH2+]Cc2cccnc2-n2ccnc2)cc1Cl ZINC000366306197 498867713 /nfs/dbraw/zinc/86/77/13/498867713.db2.gz JTTCHDZMAIFMJN-UHFFFAOYSA-N 2 0 370.840 3.387 20 0 FGADRP C[N@@H+]1CC[C@@H](CNC(=O)[C@@H]([NH3+])Cc2ccccc2)[C@H]1c1cccc(Cl)c1 ZINC000366326774 498875367 /nfs/dbraw/zinc/87/53/67/498875367.db2.gz FTOLKAHZQXASPJ-YSIASYRMSA-N 2 0 371.912 3.019 20 0 FGADRP CCN1CCC[C@@H](C[N@H+](C)C[C@@](C)(O)c2ccccc2)[C@@H]1c1cnn(C)c1 ZINC000328644531 498886980 /nfs/dbraw/zinc/88/69/80/498886980.db2.gz RTFFTVNCTMRCMY-VLCRHTCISA-N 2 0 370.541 3.033 20 0 FGADRP C[NH+](Cc1cc(Cl)cc(C[N@H+](C)C[C@H]2CCOC2)c1)C[C@H]1CCOC1 ZINC000295046565 498891138 /nfs/dbraw/zinc/89/11/38/498891138.db2.gz OHMYHZSZQVYUAL-IAGOWNOFSA-N 2 0 366.933 3.277 20 0 FGADRP CCC[NH+]1CCC(N(C)C(=O)N[C@@H](C)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000287991301 498919897 /nfs/dbraw/zinc/91/98/97/498919897.db2.gz KXWQFHJYXXKSDH-PXNSSMCTSA-N 2 0 360.546 3.194 20 0 FGADRP COc1cc2c(cc1F)[nH+]ccc2N1CCC([N@@H+]2CCO[C@H](C)C2)CC1 ZINC000366429590 498923900 /nfs/dbraw/zinc/92/39/00/498923900.db2.gz GSOUQRIOKUKHHI-CQSZACIVSA-N 2 0 359.445 3.072 20 0 FGADRP C[C@H](C(=O)Nc1ccc(C(F)(F)F)cc1)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000579239719 506127462 /nfs/dbraw/zinc/12/74/62/506127462.db2.gz IWFFBLQHSJBLIV-NOXHYTERSA-N 2 0 355.404 3.092 20 0 FGADRP C[C@H](NC(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1)[C@@H](c1ccccc1)[NH+](C)C ZINC000288309147 498991484 /nfs/dbraw/zinc/99/14/84/498991484.db2.gz XFINGXWAOYIGQJ-YYWHXJBOSA-N 2 0 372.557 3.051 20 0 FGADRP CC[C@H](C)[N@H+](C)CCNC(=O)N1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000576301534 506125115 /nfs/dbraw/zinc/12/51/15/506125115.db2.gz ZXSRUJIXQMPYMF-SIKLNZKXSA-N 2 0 372.557 3.024 20 0 FGADRP O=C(CC1([NH+]2CCOCC2)CCCC1)Nc1cccc2c1C[N@@H+](C1CC1)C2 ZINC000363852575 499025607 /nfs/dbraw/zinc/02/56/07/499025607.db2.gz JQBXYAAKMBLGOB-UHFFFAOYSA-N 2 0 369.509 3.138 20 0 FGADRP C[NH+](C)CCCC[NH2+]Cc1cn(Cc2ccccc2)nc1-c1cccnc1 ZINC000299357625 499036043 /nfs/dbraw/zinc/03/60/43/499036043.db2.gz UDPAPMUSIYZLEJ-UHFFFAOYSA-N 2 0 363.509 3.425 20 0 FGADRP Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)c1ccc2c[nH+]cn2c1 ZINC000284093332 499047090 /nfs/dbraw/zinc/04/70/90/499047090.db2.gz XMALWWKGYDWNPQ-UHFFFAOYSA-N 2 0 366.490 3.444 20 0 FGADRP C[C@H]([NH2+]Cc1ccnc(OC(F)F)c1)c1cccc(OCC[NH+](C)C)c1 ZINC000284364911 499095779 /nfs/dbraw/zinc/09/57/79/499095779.db2.gz NGCDBJWLONUWPX-AWEZNQCLSA-N 2 0 365.424 3.474 20 0 FGADRP COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+]C2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)cc1 ZINC000284525622 499120176 /nfs/dbraw/zinc/12/01/76/499120176.db2.gz WWLPWBDTELPOKT-MCBQPRCJSA-N 2 0 358.526 3.155 20 0 FGADRP Cc1ccc(C[NH2+]Cc2ccc(-n3ccnc3)nc2)c(-c2ccnn2C)c1 ZINC000366977408 499125409 /nfs/dbraw/zinc/12/54/09/499125409.db2.gz SWGOFHYVBYILAE-UHFFFAOYSA-N 2 0 358.449 3.266 20 0 FGADRP C[NH+]1CCC2(CC1)C[C@H]([NH2+][C@@H]1Cc3ccccc3[C@@H]1O)c1ccccc1O2 ZINC000372533029 499141611 /nfs/dbraw/zinc/14/16/11/499141611.db2.gz SCFUYKJCHCIMPF-URVUXULASA-N 2 0 364.489 3.223 20 0 FGADRP c1ccc(N2CC[NH+](CCCC[NH2+][C@@H]3CCC34CCOCC4)CC2)cc1 ZINC000367088174 499146730 /nfs/dbraw/zinc/14/67/30/499146730.db2.gz ULPZPSNSVFBSSR-OAQYLSRUSA-N 2 0 357.542 3.138 20 0 FGADRP OC[C@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+]C1CCC2(CCCO2)CC1 ZINC000372688095 499161221 /nfs/dbraw/zinc/16/12/21/499161221.db2.gz AIJZEFZYNQLULQ-ATKRNPRHSA-N 2 0 358.526 3.225 20 0 FGADRP CC(C)CC(=O)N1CCC(C[N@@H+]2CC[C@@H]3[C@H](CCCN3C3CC3)C2)CC1 ZINC000367252186 499168387 /nfs/dbraw/zinc/16/83/87/499168387.db2.gz LKNHDXHWHYTBRD-TZIWHRDSSA-N 2 0 361.574 3.220 20 0 FGADRP C[N@H+](C[C@@H]1CC12CC[NH+](CCC(=O)Nc1ccccc1F)CC2)C1CC1 ZINC000367308912 499178128 /nfs/dbraw/zinc/17/81/28/499178128.db2.gz GBYSNHHVPFAYIA-INIZCTEOSA-N 2 0 359.489 3.351 20 0 FGADRP C[N@H+](CC1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CCc2ccccc2NC1=O ZINC000372817512 499179784 /nfs/dbraw/zinc/17/97/84/499179784.db2.gz ZUELANYZMRYUHW-OAQYLSRUSA-N 2 0 364.493 3.183 20 0 FGADRP CC(C)Cn1cc(C[NH2+]Cc2ccc(OC3CC[NH+](C)CC3)cc2)cn1 ZINC000370268301 499204325 /nfs/dbraw/zinc/20/43/25/499204325.db2.gz XFDWMUWUENCJHX-UHFFFAOYSA-N 2 0 356.514 3.302 20 0 FGADRP CCN1CCC[C@@H](C[N@H+](C)Cc2ccc3c[nH]nc3c2)[C@@H]1c1cnn(C)c1 ZINC000370308464 499208113 /nfs/dbraw/zinc/20/81/13/499208113.db2.gz NGKIADLOOIQZKZ-GHTZIAJQSA-N 2 0 366.513 3.201 20 0 FGADRP CC(C)(C)OC(=O)NCC1CCC([NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000367522314 499208680 /nfs/dbraw/zinc/20/86/80/499208680.db2.gz DSUPHQRHODLIJH-ZGUYJTEBSA-N 2 0 351.535 3.286 20 0 FGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+][C@H]2CCCc3n[nH]cc32)CC1 ZINC000367589805 499215625 /nfs/dbraw/zinc/21/56/25/499215625.db2.gz QUWOWTUJCGBOSM-KXBFYZLASA-N 2 0 371.504 3.419 20 0 FGADRP Cc1noc([C@@H]2CC[C@H](C[NH2+]C3CC[NH+](CC4CCCCC4)CC3)O2)n1 ZINC000370410674 499218038 /nfs/dbraw/zinc/21/80/38/499218038.db2.gz QORVAEKRQUINNI-MOPGFXCFSA-N 2 0 362.518 3.232 20 0 FGADRP CCOC(=O)c1ccc(C[N@H+](C)C[C@@H]2CCn3ccnc3C2)cc1Cl ZINC000367672338 499223610 /nfs/dbraw/zinc/22/36/10/499223610.db2.gz RKKPGUPSDSQYMH-OAHLLOKOSA-N 2 0 361.873 3.408 20 0 FGADRP C[C@@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1cccc(OC(F)(F)F)c1 ZINC000370634728 499238040 /nfs/dbraw/zinc/23/80/40/499238040.db2.gz MKRJWHCVRHBZCG-GDBMZVCRSA-N 2 0 371.447 3.404 20 0 FGADRP C[C@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1cccc(OC(F)(F)F)c1 ZINC000370634729 499238068 /nfs/dbraw/zinc/23/80/68/499238068.db2.gz MKRJWHCVRHBZCG-GOEBONIOSA-N 2 0 371.447 3.404 20 0 FGADRP C[C@@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccc(F)cc1OC(F)F ZINC000370635820 499238127 /nfs/dbraw/zinc/23/81/27/499238127.db2.gz QDKTZORWLCTABU-HIFRSBDPSA-N 2 0 371.447 3.246 20 0 FGADRP C[C@@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccc(OC(F)(F)F)cc1 ZINC000370638280 499238714 /nfs/dbraw/zinc/23/87/14/499238714.db2.gz XFBSRQBWVQFGGK-ZBFHGGJFSA-N 2 0 371.447 3.404 20 0 FGADRP COc1cccc2c1CC[C@H]2[NH2+]CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000370663881 499241474 /nfs/dbraw/zinc/24/14/74/499241474.db2.gz ZFYFCLFXQMJYMI-JOCHJYFZSA-N 2 0 371.569 3.468 20 0 FGADRP C[C@H](NC(=O)NCCCC[NH+]1CCCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000367932438 499246801 /nfs/dbraw/zinc/24/68/01/499246801.db2.gz RZXHESKHUDHUEN-PZJWPPBQSA-N 2 0 372.557 3.072 20 0 FGADRP Cn1cc(-c2ccccc2C[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cn1 ZINC000573197494 506140869 /nfs/dbraw/zinc/14/08/69/506140869.db2.gz DBVQSQJAKYYGMK-JTHBVZDNSA-N 2 0 374.488 3.433 20 0 FGADRP C[C@@H](C(=O)NC1CC[NH+](C2CCC(C)CC2)CC1)[C@@H]([NH3+])c1ccccc1 ZINC000370763709 499252492 /nfs/dbraw/zinc/25/24/92/499252492.db2.gz OBNVOHZIMAJAFX-BWGXQHLSSA-N 2 0 357.542 3.482 20 0 FGADRP COc1cc(C[NH2+]C[C@H]2CC[N@H+](C)[C@@H]2c2cccs2)cc(OC)c1O ZINC000368575172 499309305 /nfs/dbraw/zinc/30/93/05/499309305.db2.gz INWCAZYRLQOQIR-KDOFPFPSSA-N 2 0 362.495 3.254 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)Cc2nc3c(s2)C[NH+](C(C)C)CC3)[C@H](C)C1 ZINC000368610775 499313414 /nfs/dbraw/zinc/31/34/14/499313414.db2.gz DKHQPSYNCOCASB-WBVHZDCISA-N 2 0 350.576 3.072 20 0 FGADRP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N[C@@H](C)C2=CC[N@H+](C)CC2)CC1 ZINC000371589708 499345086 /nfs/dbraw/zinc/34/50/86/499345086.db2.gz VCRXYXKOFOINAZ-ZWKOTPCHSA-N 2 0 370.541 3.162 20 0 FGADRP Cc1ccc2cc(C[N@@H+]3CC[C@H](N4CC[NH+](C)CC4)[C@H](C)C3)ccc2n1 ZINC000368930388 499347846 /nfs/dbraw/zinc/34/78/46/499347846.db2.gz KYGNWDDUXVTNDQ-VGSWGCGISA-N 2 0 352.526 3.001 20 0 FGADRP CC(C)[NH+]1CCN(CCC[N@H+]2CC=C(c3ccc(Cl)nc3)CC2)CC1 ZINC000369186595 499375867 /nfs/dbraw/zinc/37/58/67/499375867.db2.gz DJYALRKEFOWBDO-UHFFFAOYSA-N 2 0 362.949 3.240 20 0 FGADRP CCOc1ccc([C@@H]2CCCN2C(=O)C[NH+]2CCC(C[NH+](C)C)CC2)cc1 ZINC000369191183 499376068 /nfs/dbraw/zinc/37/60/68/499376068.db2.gz HQEQQDDELRLYHF-NRFANRHFSA-N 2 0 373.541 3.022 20 0 FGADRP CC(C)(C)[NH+]1CCC([NH2+][C@@H]2CCc3nnc(Cc4ccccc4)n3C2)CC1 ZINC000369230437 499380463 /nfs/dbraw/zinc/38/04/63/499380463.db2.gz VDTRCZFXNQWARH-LJQANCHMSA-N 2 0 367.541 3.036 20 0 FGADRP COC1(C[C@@H](C)[NH2+]CCC2CC[NH+](C3CCN(C)CC3)CC2)CCC1 ZINC000369290353 499388313 /nfs/dbraw/zinc/38/83/13/499388313.db2.gz LUGYIDQUNXWJCE-GOSISDBHSA-N 2 0 351.579 3.120 20 0 FGADRP C[C@H]([NH2+]C(C)(C)CNC(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000369314663 499390790 /nfs/dbraw/zinc/39/07/90/499390790.db2.gz CVAWZGKUGSNMGK-WDSOQIARSA-N 2 0 358.530 3.042 20 0 FGADRP CC(C)[NH+]1CCN([C@H]2CC[N@H+](Cc3ccc(Cl)c4cccnc34)C2)CC1 ZINC000369397074 499399441 /nfs/dbraw/zinc/39/94/41/499399441.db2.gz DBJHLRIKIFIYKT-SFHVURJKSA-N 2 0 372.944 3.489 20 0 FGADRP CCC[NH+](CCC)CCCC(=O)NC[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000372390764 499427986 /nfs/dbraw/zinc/42/79/86/499427986.db2.gz XSYKZAZJCUKSKU-FPOVZHCZSA-N 2 0 360.546 3.093 20 0 FGADRP Cc1nn(C(C)C)cc1C[NH2+]CC1(N2CC[NH+](C)CC2)CCCCCC1 ZINC000369747700 499440350 /nfs/dbraw/zinc/44/03/50/499440350.db2.gz BSCXDRICGIQQOW-UHFFFAOYSA-N 2 0 361.578 3.202 20 0 FGADRP Cn1cc2c(n1)CCC[C@@H]2[NH2+]C1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000373520800 499474648 /nfs/dbraw/zinc/47/46/48/499474648.db2.gz JGEWUGQVKRGDSS-XUJLQICISA-N 2 0 356.436 3.192 20 0 FGADRP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+][C@@H]3CCCN(c4ccncn4)C3)CC2)C1 ZINC000378473450 499521547 /nfs/dbraw/zinc/52/15/47/499521547.db2.gz KCTKLFHWZOSPMO-MISYRCLQSA-N 2 0 357.546 3.078 20 0 FGADRP C[NH2+]CCc1ccccc1C(=O)N1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000382724595 499546210 /nfs/dbraw/zinc/54/62/10/499546210.db2.gz QTHIDTRXGUTZAW-UHFFFAOYSA-N 2 0 365.521 3.185 20 0 FGADRP Cc1cc(C)cc(OC[C@@H](O)C[NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000383705811 499546941 /nfs/dbraw/zinc/54/69/41/499546941.db2.gz FGVLAWACRBHFAL-YADHBBJMSA-N 2 0 368.521 3.155 20 0 FGADRP C[N@H+](CCC(=O)N[C@@H]1CCCc2ccccc21)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000375745510 499551053 /nfs/dbraw/zinc/55/10/53/499551053.db2.gz QVKLHDFKRWJENV-KXZRCVDZSA-N 2 0 355.526 3.127 20 0 FGADRP Cc1cc(C[NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)cc(C)c1O ZINC000397485392 499564007 /nfs/dbraw/zinc/56/40/07/499564007.db2.gz BBLROMBMXYSQCD-UHFFFAOYSA-N 2 0 354.494 3.126 20 0 FGADRP COc1ccccc1NC(=O)CN[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000397973516 499565737 /nfs/dbraw/zinc/56/57/37/499565737.db2.gz JOBSXHNRTDCCQI-HKUYNNGSSA-N 2 0 367.493 3.134 20 0 FGADRP C[C@H]([NH2+]C[C@@H](O)COc1ccc(-c2ccccc2)cc1)C1=CC[N@H+](C)CC1 ZINC000573238947 506150944 /nfs/dbraw/zinc/15/09/44/506150944.db2.gz FKDCPXWUBQWAGX-PGRDOPGGSA-N 2 0 366.505 3.333 20 0 FGADRP CC(C)(C[NH2+]C[C@@H](O)COc1ccccc1C(F)(F)F)C[NH+]1CCCC1 ZINC000582176798 506151999 /nfs/dbraw/zinc/15/19/99/506151999.db2.gz MGERQUJNZQEZFB-OAHLLOKOSA-N 2 0 374.447 3.157 20 0 FGADRP Clc1ccc(CN2CCC[C@H]([NH+]3CCCC3)CC2)c(-n2cncn2)c1 ZINC000376567557 499619243 /nfs/dbraw/zinc/61/92/43/499619243.db2.gz XHWVAHLOUBRMAD-SFHVURJKSA-N 2 0 359.905 3.371 20 0 FGADRP C[C@@H]1[C@H]([NH2+]C2CCN(Cc3ccncc3)CC2)CCN1Cc1ccccc1 ZINC000376733443 499632885 /nfs/dbraw/zinc/63/28/85/499632885.db2.gz KPTDBZMSJQFLHU-AUSIDOKSSA-N 2 0 364.537 3.299 20 0 FGADRP [NH3+]C[C@@H]1C[N@H+](CCCc2nc(-c3cccs3)no2)C[C@H]1c1ccccc1 ZINC000410075979 499639798 /nfs/dbraw/zinc/63/97/98/499639798.db2.gz VVZQUKKUKXINKN-SJORKVTESA-N 2 0 368.506 3.405 20 0 FGADRP CC[NH+](CC)CCN(CCC(F)(F)F)N1C[C@H]([NH+]2CCCC2)C[C@H]1C ZINC000377057544 499657698 /nfs/dbraw/zinc/65/76/98/499657698.db2.gz QYTWEFDTWKUIEG-IAGOWNOFSA-N 2 0 364.500 3.056 20 0 FGADRP C[C@H](c1nc(C2CC2)no1)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000377334781 499680702 /nfs/dbraw/zinc/68/07/02/499680702.db2.gz DCVPNJZDAPNHGB-LZQZEXGQSA-N 2 0 352.482 3.462 20 0 FGADRP C[C@H](c1nc(C2CC2)no1)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000377334779 499680848 /nfs/dbraw/zinc/68/08/48/499680848.db2.gz DCVPNJZDAPNHGB-AYOQOUSVSA-N 2 0 352.482 3.462 20 0 FGADRP NC(=O)[C@@H]1Cc2ccccc2CN1Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411154245 499703879 /nfs/dbraw/zinc/70/38/79/499703879.db2.gz DKKKNPBHRPTJRX-QFIPXVFZSA-N 2 0 363.505 3.085 20 0 FGADRP Cc1nn(C)c(N2CCC[N@H+](C)CC2)c1C[NH2+][C@H]1C[C@@H](C)c2ccccc21 ZINC000377563681 499705039 /nfs/dbraw/zinc/70/50/39/499705039.db2.gz MBAAAKXXRCXACN-IERDGZPVSA-N 2 0 367.541 3.209 20 0 FGADRP Cc1nccn1-c1ccc([C@H](C)[N@@H+]2CC[C@]3(C2)CCCN(C)C3=O)cc1 ZINC000377680465 499719258 /nfs/dbraw/zinc/71/92/58/499719258.db2.gz QCXGNGXFBYIGCV-KKSFZXQISA-N 2 0 352.482 3.186 20 0 FGADRP CCO[C@H]1C[C@@H](O)C12CC[NH+](Cc1cccc(C[NH+]3CCCCC3)c1)CC2 ZINC000411278364 499720712 /nfs/dbraw/zinc/72/07/12/499720712.db2.gz AGKOFLMMRCOYFF-YADHBBJMSA-N 2 0 372.553 3.424 20 0 FGADRP C[N@H+](Cc1cnn(Cc2ccccc2)c1)C1CCN(c2cc[nH+]cc2)CC1 ZINC000377698287 499721497 /nfs/dbraw/zinc/72/14/97/499721497.db2.gz LSJZKDFYWMMNME-UHFFFAOYSA-N 2 0 361.493 3.427 20 0 FGADRP COC(=O)C[C@H]1CSCC[N@@H+]1Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411340981 499727592 /nfs/dbraw/zinc/72/75/92/499727592.db2.gz BNIXIZNCPWZKDC-IBGZPJMESA-N 2 0 362.539 3.153 20 0 FGADRP O=C(NCCC[NH+]1CCCCC1)C1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000411398919 499734681 /nfs/dbraw/zinc/73/46/81/499734681.db2.gz PWOYHZFAZKZMBH-YRNVUSSQSA-N 2 0 369.553 3.404 20 0 FGADRP C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2CC2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000377834216 499740509 /nfs/dbraw/zinc/74/05/09/499740509.db2.gz JVHUVEHYQNIPPC-ROUUACIJSA-N 2 0 351.535 3.050 20 0 FGADRP CC[NH+]1CCC(NC(=O)C[NH2+][C@H](C)c2ccc(SC(C)C)cc2)CC1 ZINC000411465984 499744187 /nfs/dbraw/zinc/74/41/87/499744187.db2.gz PYYIPIWPPPVNNY-MRXNPFEDSA-N 2 0 363.571 3.438 20 0 FGADRP CC[NH+]1CCC(NC(=O)C[NH2+][C@@H](c2cccc(F)c2)C2CCCC2)CC1 ZINC000411475899 499745617 /nfs/dbraw/zinc/74/56/17/499745617.db2.gz NTKQHVOOVUIDRE-OAQYLSRUSA-N 2 0 361.505 3.247 20 0 FGADRP C[C@H]1C[C@@H](C(=O)N2CCC[C@H]([NH+](C)Cc3ccccc3)CC2)CC[N@@H+]1C ZINC000377983574 499753174 /nfs/dbraw/zinc/75/31/74/499753174.db2.gz BADJTAYMRFAZEP-JBACZVJFSA-N 2 0 357.542 3.230 20 0 FGADRP CC(C)[NH+]1CCC(NC(=O)C[NH2+][C@@H]2CCCC[C@H]2c2ccccc2)CC1 ZINC000411561308 499763290 /nfs/dbraw/zinc/76/32/90/499763290.db2.gz QJSGDVCYEUQHIC-LEWJYISDSA-N 2 0 357.542 3.291 20 0 FGADRP CC[C@@]1(CO)CCC[N@H+](CC[C@H](C)CC[NH+]2CCC[C@](CC)(CO)C2)C1 ZINC000411573183 499764717 /nfs/dbraw/zinc/76/47/17/499764717.db2.gz SLTOUKZYXWTMOY-KOUNCHBCSA-N 2 0 368.606 3.372 20 0 FGADRP C[C@@H](CCC1CCCCC1)[NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000414194119 499767431 /nfs/dbraw/zinc/76/74/31/499767431.db2.gz NIUAIONJDJSTBM-IBGZPJMESA-N 2 0 351.579 3.122 20 0 FGADRP CCC[C@@H](CCc1ccccc1)[NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000414203347 499768150 /nfs/dbraw/zinc/76/81/50/499768150.db2.gz VEQISFZOUQDBJC-QFIPXVFZSA-N 2 0 373.585 3.174 20 0 FGADRP CC(C)Cc1cccc([C@H](C)[NH2+]CC2(N3CCOCC3)CC[NH+](C)CC2)c1 ZINC000414206711 499768519 /nfs/dbraw/zinc/76/85/19/499768519.db2.gz YWUZIKXROPCNPR-FQEVSTJZSA-N 2 0 373.585 3.332 20 0 FGADRP OC[C@H](C[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)c1ccc(F)cc1 ZINC000414294440 499775128 /nfs/dbraw/zinc/77/51/28/499775128.db2.gz QCGWPUPVBUZUGQ-BAMDZGJYSA-N 2 0 368.496 3.402 20 0 FGADRP Cc1cc([C@@H](C)[NH2+]Cc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)c(C)o1 ZINC000414321116 499777543 /nfs/dbraw/zinc/77/75/43/499777543.db2.gz DKGWQKYOFTULMB-MRXNPFEDSA-N 2 0 369.509 3.445 20 0 FGADRP CC[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000414334076 499778612 /nfs/dbraw/zinc/77/86/12/499778612.db2.gz GBHQNMFRHMNUKG-PZJWPPBQSA-N 2 0 357.542 3.442 20 0 FGADRP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3ccc(C(F)(F)F)c(C)c3)C2)CC1 ZINC000414378900 499783233 /nfs/dbraw/zinc/78/32/33/499783233.db2.gz BTXSKWHGHRKIHG-KRWDZBQOSA-N 2 0 355.448 3.226 20 0 FGADRP C[C@H](c1ccccc1)[C@@H]([NH2+]Cc1cccc(C[NH+]2CCCCC2)c1)C(N)=O ZINC000411764740 499788045 /nfs/dbraw/zinc/78/80/45/499788045.db2.gz ZQCVRPLCSNZACS-XMSQKQJNSA-N 2 0 365.521 3.420 20 0 FGADRP O[C@@H]([C@@H]1CC[N@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C1)C(F)(F)F ZINC000411793062 499791448 /nfs/dbraw/zinc/79/14/48/499791448.db2.gz BBIAUKWFPBNSNW-MSOLQXFVSA-N 2 0 356.432 3.418 20 0 FGADRP O=C(c1cccc(C[NH+]2CCCCC2)c1)N1CCC([NH+]2CCCC2)CC1 ZINC000412012152 499812951 /nfs/dbraw/zinc/81/29/51/499812951.db2.gz WSUBQVMENHYSMG-UHFFFAOYSA-N 2 0 355.526 3.373 20 0 FGADRP [NH3+]C1(c2noc([C@@H]3C[N@H+](Cc4ccccc4)CCC3(F)F)n2)CCCC1 ZINC000414631764 499815396 /nfs/dbraw/zinc/81/53/96/499815396.db2.gz XQUGXWMZYCOYRU-HNNXBMFYSA-N 2 0 362.424 3.422 20 0 FGADRP C[C@H]1c2cc(Cl)cc(Cl)c2CC[N@H+]1C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414753835 499826936 /nfs/dbraw/zinc/82/69/36/499826936.db2.gz NAVZACBUABYYNH-STQMWFEESA-N 2 0 370.324 3.110 20 0 FGADRP C[C@@H]1C[C@@H](C[NH+]2CCC([C@@H]3C(=O)Nc4cc(Cl)ccc43)CC2)CC[NH2+]1 ZINC000414754782 499827150 /nfs/dbraw/zinc/82/71/50/499827150.db2.gz YKEFVPOJBUDAPY-TYILLQQXSA-N 2 0 361.917 3.476 20 0 FGADRP C[C@@H]1C[C@@H](C[NH+]2CCN(C(=O)c3cc4sccc4s3)CC2)CC[NH2+]1 ZINC000414760028 499827335 /nfs/dbraw/zinc/82/73/35/499827335.db2.gz XMNDYQJFESPYHX-KGLIPLIRSA-N 2 0 363.552 3.109 20 0 FGADRP c1ccc(COc2cccc(C[N@@H+]3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)c2)nc1 ZINC000414774750 499829577 /nfs/dbraw/zinc/82/95/77/499829577.db2.gz FWMCRUZNMQABHF-VQTJNVASSA-N 2 0 351.494 3.482 20 0 FGADRP CC[NH+](CC)CCOc1ccccc1NC(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000414776882 499829817 /nfs/dbraw/zinc/82/98/17/499829817.db2.gz DSOJFLZNNHCFHF-OAQYLSRUSA-N 2 0 374.529 3.015 20 0 FGADRP Cc1nn(-c2ccc(F)cc2)c(C)c1C[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000414783825 499830758 /nfs/dbraw/zinc/83/07/58/499830758.db2.gz QPQUUWOJNXHRAF-ZWKOTPCHSA-N 2 0 356.489 3.450 20 0 FGADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(Br)c2c(c1)OCCCO2 ZINC000414803724 499832791 /nfs/dbraw/zinc/83/27/91/499832791.db2.gz NXANANCWLUSOMM-DZGCQCFKSA-N 2 0 369.303 3.218 20 0 FGADRP CCC([NH3+])(CC)C[NH2+][C@@H](C)CC(=O)Nc1ccc(Br)cc1 ZINC000414809274 499833498 /nfs/dbraw/zinc/83/34/98/499833498.db2.gz LVOIWSQWVFRRPS-LBPRGKRZSA-N 2 0 356.308 3.273 20 0 FGADRP COc1cc(C[NH2+]CC[C@H]2CC[NH2+]C2)cc(OC)c1OCc1ccccc1 ZINC000414836509 499835854 /nfs/dbraw/zinc/83/58/54/499835854.db2.gz SSJIWGTYEKTZDZ-QGZVFWFLSA-N 2 0 370.493 3.372 20 0 FGADRP C[NH+](C)CCOc1cccc(NC(=O)N[C@H](CCC[NH3+])c2ccccc2)c1 ZINC000414883028 499841377 /nfs/dbraw/zinc/84/13/77/499841377.db2.gz MOCZOSMJEYJWON-HXUWFJFHSA-N 2 0 370.497 3.229 20 0 FGADRP CC1(C[NH2+]Cc2cc(Br)c3c(c2)OCCCO3)CC[NH2+]CC1 ZINC000414902150 499843257 /nfs/dbraw/zinc/84/32/57/499843257.db2.gz KMBCPIDXZITRKT-UHFFFAOYSA-N 2 0 369.303 3.090 20 0 FGADRP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000414974827 499850499 /nfs/dbraw/zinc/85/04/99/499850499.db2.gz KXBHHGMMZSIJRS-FXAWDEMLSA-N 2 0 358.530 3.449 20 0 FGADRP Clc1cccc(-n2cc(C[NH2+]CCC[C@H]3CCC[NH2+]3)nn2)c1Cl ZINC000414980047 499850943 /nfs/dbraw/zinc/85/09/43/499850943.db2.gz WFSBXBVNZZXFLX-LBPRGKRZSA-N 2 0 354.285 3.196 20 0 FGADRP Brc1ccc(-c2c[nH]c(C[NH2+]CCC[C@@H]3CCC[NH2+]3)n2)cc1 ZINC000414979567 499851089 /nfs/dbraw/zinc/85/10/89/499851089.db2.gz VMWOYCVRNXQKTA-OAHLLOKOSA-N 2 0 363.303 3.461 20 0 FGADRP CCOc1c(Br)cc(C[NH2+]C[C@H]2CCC[C@@H]([NH3+])C2)cc1OC ZINC000414990726 499852238 /nfs/dbraw/zinc/85/22/38/499852238.db2.gz JABUYNIEOYUGIP-GXTWGEPZSA-N 2 0 371.319 3.464 20 0 FGADRP CCOc1c(Br)cc(C[NH2+][C@@H](C)CCCC[NH3+])cc1OC ZINC000415019463 499855605 /nfs/dbraw/zinc/85/56/05/499855605.db2.gz WANKCNYMGIMEQJ-LBPRGKRZSA-N 2 0 359.308 3.464 20 0 FGADRP [NH3+]C[C@@H]1CC[C@H]([NH2+]Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)C1 ZINC000415042492 499857276 /nfs/dbraw/zinc/85/72/76/499857276.db2.gz QYBYHMGRVOISJJ-PBHICJAKSA-N 2 0 352.404 3.167 20 0 FGADRP CCOc1cc(C[NH2+][C@@H]2CC[C@@H](C[NH3+])C2)cc(Br)c1OC ZINC000415049767 499858065 /nfs/dbraw/zinc/85/80/65/499858065.db2.gz YCWDCVRIZBQVPL-DGCLKSJQSA-N 2 0 357.292 3.073 20 0 FGADRP Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+][C@@H]1CC[C@@H](C[NH3+])C1 ZINC000415049709 499858162 /nfs/dbraw/zinc/85/81/62/499858162.db2.gz XWUARGXXVPHJPB-CZUORRHYSA-N 2 0 363.303 3.160 20 0 FGADRP COc1ccc(C[C@H](C)C[NH+]2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)cc1F ZINC000415102333 499863658 /nfs/dbraw/zinc/86/36/58/499863658.db2.gz DNLFWAJZSOHZJC-ZRCAFCQKSA-N 2 0 364.505 3.231 20 0 FGADRP Cc1ccc(-c2ncc(C[NH+]3CCC([C@H]4OCCC[C@@H]4[NH3+])CC3)s2)o1 ZINC000415100959 499863695 /nfs/dbraw/zinc/86/36/95/499863695.db2.gz BCZXOYLSSCGUJU-FUHWJXTLSA-N 2 0 361.511 3.430 20 0 FGADRP C[C@@H]1CC[N@H+](Cc2cn(-c3ccccc3)nc2-c2cccnc2)C[C@@H]1C[NH3+] ZINC000415123200 499866409 /nfs/dbraw/zinc/86/64/09/499866409.db2.gz JEBSBURDQUQRNM-MJGOQNOKSA-N 2 0 361.493 3.351 20 0 FGADRP Cc1cc(C[NH+]2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)ccc1Br ZINC000415122697 499866503 /nfs/dbraw/zinc/86/65/03/499866503.db2.gz KJJZABJPCZGGSC-AEFFLSMTSA-N 2 0 367.331 3.476 20 0 FGADRP [NH3+][C@@H]1CCO[C@H](C2CC[NH+](Cc3cccc(OC(F)(F)F)c3)CC2)C1 ZINC000415122373 499866556 /nfs/dbraw/zinc/86/65/56/499866556.db2.gz JXLDVZAAJZVZHG-WBVHZDCISA-N 2 0 358.404 3.304 20 0 FGADRP [NH3+][C@H]1CCCO[C@H]1C1CC[NH+](Cc2ccc(OCC(F)(F)F)cc2)CC1 ZINC000415124424 499866740 /nfs/dbraw/zinc/86/67/40/499866740.db2.gz KFAWNPSAMNHPFG-ROUUACIJSA-N 2 0 372.431 3.346 20 0 FGADRP COc1ccc(C[C@H](C)C[NH+]2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)cc1F ZINC000415123951 499866745 /nfs/dbraw/zinc/86/67/45/499866745.db2.gz LUIURVLSLYIYAK-RRMPHLOHSA-N 2 0 364.505 3.231 20 0 FGADRP [NH3+][C@@H]1CCO[C@@H](C2CC[NH+](Cc3ccc(Br)cc3)CC2)C1 ZINC000415129549 499867697 /nfs/dbraw/zinc/86/76/97/499867697.db2.gz UYFQOISFZQNPAL-IAGOWNOFSA-N 2 0 353.304 3.167 20 0 FGADRP C[C@H](C[NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1)Cc1ccccc1 ZINC000415132348 499868542 /nfs/dbraw/zinc/86/85/42/499868542.db2.gz KYXVXZGZEKUBMB-FQEVSTJZSA-N 2 0 351.538 3.448 20 0 FGADRP COc1ccc(C(=O)Nc2cccc(C[N@@H+]3CC[C@H](C)[C@@H](C[NH3+])C3)c2)cc1 ZINC000415134168 499868864 /nfs/dbraw/zinc/86/88/64/499868864.db2.gz VRSASPOWHTVGED-LPHOPBHVSA-N 2 0 367.493 3.364 20 0 FGADRP CC[NH+]1CCN(c2cccc(NC(=O)Nc3ccc([C@@H](C)[NH3+])cc3)c2)CC1 ZINC000415496446 499896636 /nfs/dbraw/zinc/89/66/36/499896636.db2.gz GXXTXQHWBOOFJC-MRXNPFEDSA-N 2 0 367.497 3.492 20 0 FGADRP C[NH+](C)[C@@H]1CCc2cc(NC(=O)N3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)ccc21 ZINC000415781821 499918507 /nfs/dbraw/zinc/91/85/07/499918507.db2.gz DLJBOCKHOQMFHW-MBOZVWFJSA-N 2 0 356.514 3.089 20 0 FGADRP C[NH2+]Cc1ccccc1NC(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000415901436 499926251 /nfs/dbraw/zinc/92/62/51/499926251.db2.gz NEOVEYDKANBUQQ-HXUWFJFHSA-N 2 0 352.482 3.365 20 0 FGADRP C[NH2+]Cc1ccccc1NC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000415914029 499928067 /nfs/dbraw/zinc/92/80/67/499928067.db2.gz UBTKEYWRHSUKQO-XLIONFOSSA-N 2 0 366.509 3.438 20 0 FGADRP CC[NH2+]Cc1ccccc1NC(=O)N[C@H](C[NH+](C)C)c1ccc(OC)cc1 ZINC000415933707 499930302 /nfs/dbraw/zinc/93/03/02/499930302.db2.gz QJAHTMJTEFPHBT-HXUWFJFHSA-N 2 0 370.497 3.229 20 0 FGADRP C[NH2+]Cc1cccc(NC(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000415943012 499931527 /nfs/dbraw/zinc/93/15/27/499931527.db2.gz LERHIIBZHOLSBU-HXUWFJFHSA-N 2 0 352.482 3.144 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)Nc1ccc2c(c1F)CC[NH2+]C2)CC(C)C ZINC000415949449 499932322 /nfs/dbraw/zinc/93/23/22/499932322.db2.gz BUHPBELLMZPVQU-INIZCTEOSA-N 2 0 364.509 3.349 20 0 FGADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000415961363 499933946 /nfs/dbraw/zinc/93/39/46/499933946.db2.gz RBXPLNXHJRAMLY-MRXNPFEDSA-N 2 0 362.493 3.248 20 0 FGADRP C[N@H+](Cc1ccccc1)[C@@H](CNC(=O)Nc1ccc(C[NH3+])cc1)C1CC1 ZINC000415963562 499934449 /nfs/dbraw/zinc/93/44/49/499934449.db2.gz VFYITHPVNCCTQV-FQEVSTJZSA-N 2 0 352.482 3.177 20 0 FGADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)Nc1ccc(C[NH3+])cc1 ZINC000415972289 499935663 /nfs/dbraw/zinc/93/56/63/499935663.db2.gz HZIFPYRLEGSAKP-JXFKEZNVSA-N 2 0 352.482 3.177 20 0 FGADRP CC(C)[NH+]1CCC(NC(=O)Nc2cc(C[NH3+])cc(C(F)(F)F)c2)CC1 ZINC000415975733 499936151 /nfs/dbraw/zinc/93/61/51/499936151.db2.gz UNYIWCBPASMSKW-UHFFFAOYSA-N 2 0 358.408 3.158 20 0 FGADRP C[C@H](CNC(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1)C[NH+]1CCCC1 ZINC000415977595 499936438 /nfs/dbraw/zinc/93/64/38/499936438.db2.gz WTQZPBIGTBLAPX-GFCCVEGCSA-N 2 0 358.408 3.018 20 0 FGADRP C[NH2+]Cc1ccc(NC(=O)N[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000415979604 499936887 /nfs/dbraw/zinc/93/68/87/499936887.db2.gz DTCFKCOEYYGFDT-JXFKEZNVSA-N 2 0 352.482 3.048 20 0 FGADRP C[NH2+]Cc1ccc(NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)cc1 ZINC000415984167 499937527 /nfs/dbraw/zinc/93/75/27/499937527.db2.gz OYCCYUJDRGJDKT-JXFKEZNVSA-N 2 0 352.482 3.191 20 0 FGADRP C[NH2+]Cc1ccc(NC(=O)NC2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000415989914 499938432 /nfs/dbraw/zinc/93/84/32/499938432.db2.gz MBOHWFVDFVCKTF-UHFFFAOYSA-N 2 0 366.509 3.235 20 0 FGADRP CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000415996947 499939132 /nfs/dbraw/zinc/93/91/32/499939132.db2.gz OLJZXAMSHJMILF-GOSISDBHSA-N 2 0 364.493 3.276 20 0 FGADRP [NH3+]Cc1ccc(NC(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC000570425233 506165925 /nfs/dbraw/zinc/16/59/25/506165925.db2.gz MNIBAZVFAMONPJ-VQTJNVASSA-N 2 0 364.493 3.131 20 0 FGADRP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)N(CCC[NH3+])CC2CCCC2)C1 ZINC000417047305 499957311 /nfs/dbraw/zinc/95/73/11/499957311.db2.gz QBBGDWZSWGWUAF-RTBURBONSA-N 2 0 366.594 3.295 20 0 FGADRP C[NH+](C)Cc1cccc(CNC(=O)N[C@H](CCC[NH3+])c2ccccc2)c1 ZINC000417063204 499961616 /nfs/dbraw/zinc/96/16/16/499961616.db2.gz IBBKMVYPTBAJME-HXUWFJFHSA-N 2 0 354.498 3.028 20 0 FGADRP C[NH+](C)Cc1ccc(CNC(=O)C[C@H](c2ccccc2)[NH+](C)C)cc1F ZINC000416186276 499972924 /nfs/dbraw/zinc/97/29/24/499972924.db2.gz ZTEBZAGNXKSOHE-HXUWFJFHSA-N 2 0 357.473 3.197 20 0 FGADRP C[NH+](C)CCc1ccc(CNC(=O)C[C@@H](c2ccccc2)[NH+](C)C)cc1 ZINC000416211367 499982437 /nfs/dbraw/zinc/98/24/37/499982437.db2.gz AUQKOCYRFFKAFH-NRFANRHFSA-N 2 0 353.510 3.100 20 0 FGADRP C[NH+](C)C[C@@H](NC(=O)C[C@H](c1ccccc1)[NH+](C)C)c1ccc(F)cc1 ZINC000416235219 499989150 /nfs/dbraw/zinc/98/91/50/499989150.db2.gz SGDDTSQWNLFKJB-WOJBJXKFSA-N 2 0 357.473 3.238 20 0 FGADRP CC1CC[NH+]([C@@H](CNC(=O)NCCC[C@@H]2CCC[NH2+]2)c2ccccc2)CC1 ZINC000417220962 500009389 /nfs/dbraw/zinc/00/93/89/500009389.db2.gz ZHJPTJMFERSJJE-SFTDATJTSA-N 2 0 372.557 3.291 20 0 FGADRP O=C(C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)N[C@@H](c1ccccc1)C1CCCCC1 ZINC000570451453 506170195 /nfs/dbraw/zinc/17/01/95/506170195.db2.gz MTJGFVZNMYVOSQ-XJUOHMSHSA-N 2 0 369.553 3.356 20 0 FGADRP C[NH+](C)C1CCC([NH2+]C2CCN(C(=O)c3ccccc3Cl)CC2)CC1 ZINC000421379882 500032686 /nfs/dbraw/zinc/03/26/86/500032686.db2.gz XRTUIMZVACUFDQ-UHFFFAOYSA-N 2 0 363.933 3.407 20 0 FGADRP CC[C@@H]([NH3+])CNC(=O)c1ccc(SCc2cn3ccccc3n2)cc1 ZINC000573322991 506172125 /nfs/dbraw/zinc/17/21/25/506172125.db2.gz PDIKAYVSKJPMAW-OAHLLOKOSA-N 2 0 354.479 3.094 20 0 FGADRP CCc1ccccc1[C@H]([NH3+])CNC(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000417336433 500043426 /nfs/dbraw/zinc/04/34/26/500043426.db2.gz VLEHLWWJTPZFCA-OAQYLSRUSA-N 2 0 372.557 3.203 20 0 FGADRP O=C(Nc1ccc2c(c1)C[NH2+]CC2)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000429336922 500054888 /nfs/dbraw/zinc/05/48/88/500054888.db2.gz WYBKBEPCQIOHRJ-SFHVURJKSA-N 2 0 367.468 3.322 20 0 FGADRP CCC[NH+]1CCC(CNC(=O)NC[C@@H]([NH3+])c2ccc(C(C)C)cc2)CC1 ZINC000417393437 500059071 /nfs/dbraw/zinc/05/90/71/500059071.db2.gz QKCFIBDJNMWZSY-HXUWFJFHSA-N 2 0 360.546 3.231 20 0 FGADRP CC(C)C[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C1CC1)[NH2+][C@@H](C)c1ccccc1 ZINC000429364310 500060445 /nfs/dbraw/zinc/06/04/45/500060445.db2.gz QSGFHQSSGWZPTE-FBBABVLZSA-N 2 0 357.542 3.495 20 0 FGADRP CC[N@H+](Cc1ccc(C(=O)N2CCC(Cc3ncc[nH]3)CC2)cc1)C1CC1 ZINC000425300604 500069077 /nfs/dbraw/zinc/06/90/77/500069077.db2.gz HQSXZOPWPNZBEE-UHFFFAOYSA-N 2 0 366.509 3.489 20 0 FGADRP CC[N@H+](CCC1CC[NH+]([C@@H]2CCN(C(C)(C)C)C2=O)CC1)CC(C)C ZINC000425463261 500112804 /nfs/dbraw/zinc/11/28/04/500112804.db2.gz VXUZQQYCWTVWQW-LJQANCHMSA-N 2 0 351.579 3.466 20 0 FGADRP O=C(NCC[C@H]1CCC[NH2+]C1)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000417624421 500128650 /nfs/dbraw/zinc/12/86/50/500128650.db2.gz OMKSFAWATHGZRD-LJQANCHMSA-N 2 0 372.557 3.252 20 0 FGADRP C[C@@H]([NH3+])c1ccc(CNC(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)cc1 ZINC000416820175 500129093 /nfs/dbraw/zinc/12/90/93/500129093.db2.gz TYPCNEZPPWGAEL-APWZRJJASA-N 2 0 370.497 3.326 20 0 FGADRP CC(C)[NH+]1CCC(NC(=O)N[C@@H](C[NH3+])c2ccc3ccccc3c2)CC1 ZINC000416833021 500133028 /nfs/dbraw/zinc/13/30/28/500133028.db2.gz QVYAQYOYMUQYPS-FQEVSTJZSA-N 2 0 354.498 3.012 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)N1CCC[C@H]([NH2+]C)C1)c1ccccc1Cl ZINC000416844251 500136173 /nfs/dbraw/zinc/13/61/73/500136173.db2.gz PYMXKWVXFRWZKM-YJBOKZPZSA-N 2 0 366.937 3.116 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N[C@H]1CC[NH2+][C@@H](C)C1)c1ccccc1Cl ZINC000416842882 500136294 /nfs/dbraw/zinc/13/62/94/500136294.db2.gz NUMODRQELUFHPE-RLFYNMQTSA-N 2 0 366.937 3.163 20 0 FGADRP [NH3+]CCC[C@H](NC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000416845416 500136739 /nfs/dbraw/zinc/13/67/39/500136739.db2.gz RRZCPDNDIFNFKP-SFTDATJTSA-N 2 0 366.509 3.040 20 0 FGADRP CC[NH+](CC)Cc1ccccc1CNC(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000416891909 500148491 /nfs/dbraw/zinc/14/84/91/500148491.db2.gz NWWIHQSBHNYQAI-CTNGQTDRSA-N 2 0 372.557 3.060 20 0 FGADRP COc1ccc([C@@H](C)[NH2+]Cc2cccc(C(=O)NCC[NH+](C)C)c2)c(C)c1 ZINC000414082476 500149132 /nfs/dbraw/zinc/14/91/32/500149132.db2.gz VDAOWAAUYDWVJG-QGZVFWFLSA-N 2 0 369.509 3.146 20 0 FGADRP C[NH2+]C[C@H]1CCCN(C(=O)NCC2([NH2+][C@@H](C)c3ccccc3)CCCC2)C1 ZINC000417696151 500150892 /nfs/dbraw/zinc/15/08/92/500150892.db2.gz BYPNYVBIHQINQT-RBUKOAKNSA-N 2 0 372.557 3.291 20 0 FGADRP CCC(CC)(CNC(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1)[NH2+][C@H](C)c1ccccc1 ZINC000417700980 500151703 /nfs/dbraw/zinc/15/17/03/500151703.db2.gz JFCRCYBHOUNKRP-RLLQIKCJSA-N 2 0 372.557 3.147 20 0 FGADRP O=C(NCCCCC[NH+]1CCCCC1)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]C1 ZINC000417698636 500152112 /nfs/dbraw/zinc/15/21/12/500152112.db2.gz DVIDBUQDUJWNAX-WOJBJXKFSA-N 2 0 364.578 3.206 20 0 FGADRP C[C@@H](NC(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCCC1)[C@@H]1CCC[NH2+]C1 ZINC000417700958 500152121 /nfs/dbraw/zinc/15/21/21/500152121.db2.gz JDQLCFFGIICTLA-WSTZPKSXSA-N 2 0 372.557 3.337 20 0 FGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@@H](C)c2ccc(Cl)cc2OC)CC1 ZINC000421824549 500160133 /nfs/dbraw/zinc/16/01/33/500160133.db2.gz JHVVXVGSQDZNAA-HOTGVXAUSA-N 2 0 353.938 3.273 20 0 FGADRP CON1CCC([NH2+][C@@H]2CCCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000421869847 500166909 /nfs/dbraw/zinc/16/69/09/500166909.db2.gz DRWMGXBKPMXVNK-CEMLEFRQSA-N 2 0 357.542 3.293 20 0 FGADRP C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)N3CCC[C@H](CC[NH3+])C3)cc2)C1 ZINC000416966700 500168707 /nfs/dbraw/zinc/16/87/07/500168707.db2.gz FXWDTMNHZZHKOV-AZUAARDMSA-N 2 0 372.557 3.189 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)NCC[C@H]1CCC[NH2+]1 ZINC000416980388 500174038 /nfs/dbraw/zinc/17/40/38/500174038.db2.gz TXZNFWNIMSTDBJ-YLJYHZDGSA-N 2 0 358.530 3.002 20 0 FGADRP C[NH2+]C[C@H]1CCCN(C(=O)NCc2ccccc2C[N@@H+]2CCCC[C@H]2C)C1 ZINC000416984160 500174940 /nfs/dbraw/zinc/17/49/40/500174940.db2.gz XUABVRNATAUOFR-RTBURBONSA-N 2 0 372.557 3.202 20 0 FGADRP CCCN(C(=O)NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1)[C@@H]1CC[NH2+]C1 ZINC000416985041 500175559 /nfs/dbraw/zinc/17/55/59/500175559.db2.gz YJBONBJTOYRJQI-WIYYLYMNSA-N 2 0 372.557 3.345 20 0 FGADRP C[C@H]([NH3+])[C@@H]1CCN(C(=O)NCc2ccc(C[N@H+]3C[C@H](C)C[C@H](C)C3)cc2)C1 ZINC000416992156 500177893 /nfs/dbraw/zinc/17/78/93/500177893.db2.gz OSUDQKOPERDKEE-TWFHAPMSSA-N 2 0 372.557 3.043 20 0 FGADRP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)N(C)C3CC[NH2+]CC3)cc2)C1 ZINC000416993923 500178906 /nfs/dbraw/zinc/17/89/06/500178906.db2.gz QYSPRICUJXKZBI-QZTJIDSGSA-N 2 0 372.557 3.058 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)NC[C@@H]([NH3+])c1ccccc1)c1ccsc1 ZINC000417002037 500180860 /nfs/dbraw/zinc/18/08/60/500180860.db2.gz FPUJGIAIVMDMGE-MSOLQXFVSA-N 2 0 360.527 3.130 20 0 FGADRP CC[NH2+]CC1CCN(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000417837479 500181385 /nfs/dbraw/zinc/18/13/85/500181385.db2.gz MKWAUYMQIVSMSR-NQIIRXRSSA-N 2 0 372.557 3.071 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)NCc1ccc2c(c1)C[NH2+]C2)c1ccsc1 ZINC000417011364 500183439 /nfs/dbraw/zinc/18/34/39/500183439.db2.gz RSKGZMVJPZDXQR-LJQANCHMSA-N 2 0 372.538 3.234 20 0 FGADRP CCCC[N@H+](CC)Cc1cccc(CNC(=O)N2CC[C@](C)(C[NH3+])C2)c1 ZINC000417869816 500188360 /nfs/dbraw/zinc/18/83/60/500188360.db2.gz FFIORPSMJARKKO-OAQYLSRUSA-N 2 0 360.546 3.189 20 0 FGADRP CC(C)C[C@H](CNC(=O)N[C@@H]1CC[NH2+][C@@H](C)C1)[NH2+][C@@H](C)c1ccccc1 ZINC000417872676 500188638 /nfs/dbraw/zinc/18/86/38/500188638.db2.gz LBVBHTWPVPZSTL-RAUXBKROSA-N 2 0 360.546 3.192 20 0 FGADRP CC(C)C[C@H](CNC(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1)[NH2+][C@@H](C)c1ccccc1 ZINC000417880679 500190751 /nfs/dbraw/zinc/19/07/51/500190751.db2.gz STPXQCHNMLNEPX-ZIBCJSCZSA-N 2 0 372.557 3.003 20 0 FGADRP C[C@@H]1C[C@H](CCNC(=O)N[C@H](C[NH3+])C2CCCC2)C[N@@H+]1Cc1ccccc1 ZINC000417927774 500199345 /nfs/dbraw/zinc/19/93/45/500199345.db2.gz QLFMTSCDDJXAEK-SLYNCCJLSA-N 2 0 372.557 3.104 20 0 FGADRP C[N@@H+]1CC[C@H](NC(=O)N[C@@H](CCC[NH3+])c2ccccc2)[C@@H]1c1ccccc1 ZINC000417950162 500202828 /nfs/dbraw/zinc/20/28/28/500202828.db2.gz VVXYHDUDNBCINY-ACRUOGEOSA-N 2 0 366.509 3.211 20 0 FGADRP C[NH+]1CCN(CCC[NH2+][C@@H](Cc2cccnc2)c2cccc(Cl)c2)CC1 ZINC000425913840 500211014 /nfs/dbraw/zinc/21/10/14/500211014.db2.gz GIJUOIHQNVHAHD-NRFANRHFSA-N 2 0 372.944 3.246 20 0 FGADRP CC(C)[N@@H+]1CCCN(C(=O)NC[C@@]2(C)CCC[NH+]2Cc2ccccc2)CC1 ZINC000430244197 500214676 /nfs/dbraw/zinc/21/46/76/500214676.db2.gz WFSYLTXKVRPWBZ-JOCHJYFZSA-N 2 0 372.557 3.167 20 0 FGADRP C[C@@H](NC(=O)N(CCC[NH3+])Cc1ccccc1)[C@@H](c1ccccc1)[NH+](C)C ZINC000418160222 500239498 /nfs/dbraw/zinc/23/94/98/500239498.db2.gz BDKIRJMKHSHQGR-NQIIRXRSSA-N 2 0 368.525 3.238 20 0 FGADRP C[NH+](C)C1CCC(NC(=O)N2CCC[N@H+](CC3CCCCC3)CC2)CC1 ZINC000422245430 500240464 /nfs/dbraw/zinc/24/04/64/500240464.db2.gz OWSHAZXJAFMRPE-UHFFFAOYSA-N 2 0 364.578 3.157 20 0 FGADRP Cc1ccccc1[C@H]([C@H](C)NC(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)[NH+](C)C ZINC000418186468 500244840 /nfs/dbraw/zinc/24/48/40/500244840.db2.gz RYRMMLXCMHUZMO-PXCRPINLSA-N 2 0 372.557 3.017 20 0 FGADRP CC(C)Cc1ccc([C@H](CNC(=O)N2CC[C@@H](C)[C@H](C[NH3+])C2)[NH+](C)C)cc1 ZINC000418198228 500247775 /nfs/dbraw/zinc/24/77/75/500247775.db2.gz UYODJDVQMYCNHB-UIFIKXQLSA-N 2 0 374.573 3.114 20 0 FGADRP CCCN(C(=O)NC[C@@H]1CCC[NH2+]C1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000418308493 500260565 /nfs/dbraw/zinc/26/05/65/500260565.db2.gz BTNCTBOGGKXYQN-RTWAWAEBSA-N 2 0 372.557 3.072 20 0 FGADRP C[NH2+]CCNC(=O)N1CCCCC[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000418318923 500261923 /nfs/dbraw/zinc/26/19/23/500261923.db2.gz QBWTYPJDSRNSQX-OAQYLSRUSA-N 2 0 372.557 3.072 20 0 FGADRP CC(C)c1ccc([C@H]([NH3+])CNC(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)cc1 ZINC000418354373 500267634 /nfs/dbraw/zinc/26/76/34/500267634.db2.gz OJEXOULQWFLONP-WOJBJXKFSA-N 2 0 360.546 3.326 20 0 FGADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000418359539 500268037 /nfs/dbraw/zinc/26/80/37/500268037.db2.gz JILFYFWKPARIIH-HXUWFJFHSA-N 2 0 360.546 3.187 20 0 FGADRP [NH3+]CC1(C(=O)N2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)CCCC1 ZINC000430705585 500272620 /nfs/dbraw/zinc/27/26/20/500272620.db2.gz LGWLAPVTHSKINY-NRFANRHFSA-N 2 0 355.526 3.020 20 0 FGADRP CC[N@H+](CCC1CCN(C(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])CC1)CC1CC1 ZINC000418407477 500272841 /nfs/dbraw/zinc/27/28/41/500272841.db2.gz FPBDPAFXEJOPAX-WOJBJXKFSA-N 2 0 364.578 3.048 20 0 FGADRP C[C@@H]1C[C@H](N(C)C(=O)N[C@H]2CCCC[C@@H]2C[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000418407838 500273072 /nfs/dbraw/zinc/27/30/72/500273072.db2.gz MDCVTXZCUDKRMQ-WLRLJWMZSA-N 2 0 372.557 3.198 20 0 FGADRP CC(C)([NH3+])CNC(=O)N1CC(C)(C)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000418410861 500273403 /nfs/dbraw/zinc/27/34/03/500273403.db2.gz DEPJDSMEDJMGRV-LJQANCHMSA-N 2 0 372.557 3.056 20 0 FGADRP CCC([NH3+])(CC)CNC(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000418427617 500275517 /nfs/dbraw/zinc/27/55/17/500275517.db2.gz OMPWPZUQUIWYDK-UHFFFAOYSA-N 2 0 372.557 3.202 20 0 FGADRP C[C@@H]([NH3+])c1ccc(CNC(=O)NC(C)(C)C[N@H+](C)Cc2ccccc2)cc1 ZINC000418485360 500282780 /nfs/dbraw/zinc/28/27/80/500282780.db2.gz HCNAWHGQFJRXFD-QGZVFWFLSA-N 2 0 368.525 3.416 20 0 FGADRP C[C@@H]1C[C@H](C)[N@H+](CCC(=O)Nc2cccc(Br)c2)C[C@@H]1C[NH3+] ZINC000422640708 500285516 /nfs/dbraw/zinc/28/55/16/500285516.db2.gz VVVPNGQWUXXJDM-RDBSUJKOSA-N 2 0 368.319 3.083 20 0 FGADRP COc1cccc(OC)c1Oc1ccc(C[NH2+][C@@H]2CC[NH2+]CC[C@H]2C)cn1 ZINC000422700213 500286920 /nfs/dbraw/zinc/28/69/20/500286920.db2.gz BTCRFCFVDLHSJN-NVXWUHKLSA-N 2 0 371.481 3.369 20 0 FGADRP COc1ccc(C[NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)cc1OC1CCCC1 ZINC000422713157 500288584 /nfs/dbraw/zinc/28/85/84/500288584.db2.gz PHIUFZHDFBRDLP-VAMGGRTRSA-N 2 0 374.525 3.263 20 0 FGADRP COC[C@@H](CCC[NH3+])[NH2+][C@@H](Cn1cnc2ccccc21)c1ccc(F)cc1 ZINC000422715714 500289080 /nfs/dbraw/zinc/28/90/80/500289080.db2.gz MLPYAEXCMWOQLH-QUCCMNQESA-N 2 0 370.472 3.260 20 0 FGADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+][C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000422720098 500290279 /nfs/dbraw/zinc/29/02/79/500290279.db2.gz ZNWYTFLHGJCIBJ-KMFMINBZSA-N 2 0 352.320 3.006 20 0 FGADRP COC[C@@H](CCC[NH3+])[NH2+]CC1(c2ccc(Br)cc2)CCC1 ZINC000422729195 500290690 /nfs/dbraw/zinc/29/06/90/500290690.db2.gz BLNQFKZRPMUKNZ-MRXNPFEDSA-N 2 0 355.320 3.214 20 0 FGADRP C[C@@H]1CCC[C@](CN[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)([NH+](C)C)C1 ZINC000422738414 500292649 /nfs/dbraw/zinc/29/26/49/500292649.db2.gz JBLBUSFGKCLXOT-CMCXCUNFSA-N 2 0 357.542 3.342 20 0 FGADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]Cc1cccc(NC(=O)NCc2ccncc2)c1 ZINC000422737320 500292664 /nfs/dbraw/zinc/29/26/64/500292664.db2.gz XHSDADFALMGBJD-ICSRJNTNSA-N 2 0 367.497 3.010 20 0 FGADRP COCCOc1ccccc1C[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422743233 500293299 /nfs/dbraw/zinc/29/32/99/500293299.db2.gz SXKQHAUPWYQTSS-SIKLNZKXSA-N 2 0 368.477 3.057 20 0 FGADRP C[NH+](C)Cc1cc(C[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)ccc1F ZINC000422746274 500294015 /nfs/dbraw/zinc/29/40/15/500294015.db2.gz NOZZTTJKSZXAAH-IFMALSPDSA-N 3 0 369.484 3.233 20 0 FGADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CC1CCN(C(=O)c2ccccc2)CC1 ZINC000422758797 500294498 /nfs/dbraw/zinc/29/44/98/500294498.db2.gz JDELKGWMJOVBDI-INIZCTEOSA-N 2 0 366.509 3.052 20 0 FGADRP COc1cccc([C@H](CN[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)[NH+]2CCCC2)c1 ZINC000422760337 500294933 /nfs/dbraw/zinc/29/49/33/500294933.db2.gz LVGLBPWIGAXSFA-YSFYHYPLSA-N 2 0 357.542 3.342 20 0 FGADRP CC[C@H](C[NH2+][C@@H]1CCOC[C@H]1[C@@H](C)[NH3+])Cc1cccc(Br)c1 ZINC000422761406 500295357 /nfs/dbraw/zinc/29/53/57/500295357.db2.gz RFIHJPXLAOUVTQ-IDCJVQTKSA-N 2 0 369.347 3.360 20 0 FGADRP COc1ccc(CC[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c(OC)c1 ZINC000422788564 500297438 /nfs/dbraw/zinc/29/74/38/500297438.db2.gz VOANJRLGEYGTQM-DENIHFKCSA-N 2 0 368.477 3.092 20 0 FGADRP CCCC[N@H+](C)CC1CCN(C(=O)NC[C@@H]2[NH2+]CCc3ccccc32)CC1 ZINC000418640641 500299410 /nfs/dbraw/zinc/29/94/10/500299410.db2.gz RBYHFKQSQQZVET-NRFANRHFSA-N 2 0 372.557 3.027 20 0 FGADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]Cc1ccc(CN2CCc3ccccc32)cc1 ZINC000422811111 500301436 /nfs/dbraw/zinc/30/14/36/500301436.db2.gz OKIPEBZQDUNAPE-WTOYTKOKSA-N 2 0 365.521 3.091 20 0 FGADRP [NH3+]CCC[C@@H](NC(=O)N1CC[NH+](C2CCCCC2)CC1)c1ccccc1 ZINC000418655661 500301900 /nfs/dbraw/zinc/30/19/00/500301900.db2.gz CTIUNXPCEOTITE-HXUWFJFHSA-N 2 0 358.530 3.127 20 0 FGADRP [NH3+]CCC[C@H](NC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)c1ccccc1 ZINC000418660606 500303712 /nfs/dbraw/zinc/30/37/12/500303712.db2.gz OFEGXMZMKPTDGY-HLAWJBBLSA-N 2 0 370.541 3.125 20 0 FGADRP CN(C(=O)NC[C@H]1CC[C@H](C[NH3+])CC1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000418663377 500304134 /nfs/dbraw/zinc/30/41/34/500304134.db2.gz GQKFRHJRLPQKQX-SFHLNBCPSA-N 2 0 372.557 3.058 20 0 FGADRP CCOC(=O)C1([C@@H](C)[NH2+]CC2(c3ccc(F)cc3)CCC2)CC[NH2+]CC1 ZINC000422841846 500304667 /nfs/dbraw/zinc/30/46/67/500304667.db2.gz DTALFKCMZZVICJ-MRXNPFEDSA-N 2 0 362.489 3.158 20 0 FGADRP [NH3+]CCC[C@H](NC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1)c1ccccc1 ZINC000418675015 500305933 /nfs/dbraw/zinc/30/59/33/500305933.db2.gz PHUQXLACPMVVPR-PMACEKPBSA-N 2 0 358.530 3.127 20 0 FGADRP C[C@H](CCCC[NH3+])NC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000418675904 500305976 /nfs/dbraw/zinc/30/59/76/500305976.db2.gz ROFZKRSLZASBEJ-NRSPTQNISA-N 2 0 372.557 3.200 20 0 FGADRP C[C@@H]([NH3+])C1CC[NH+](Cc2nc(-c3cccc(C(F)(F)F)c3)no2)CC1 ZINC000430917153 500306677 /nfs/dbraw/zinc/30/66/77/500306677.db2.gz COKMUYWZIKNASX-LLVKDONJSA-N 2 0 354.376 3.315 20 0 FGADRP CC[C@H]([NH3+])CNC(=O)N(CC[N@H+](C)Cc1ccccc1)Cc1ccccc1 ZINC000418687762 500307968 /nfs/dbraw/zinc/30/79/68/500307968.db2.gz AIJTWMKAXBHSJC-NRFANRHFSA-N 2 0 368.525 3.068 20 0 FGADRP C[C@@H]([NH3+])[C@H](C)NC(=O)N(CC[N@H+](C)Cc1ccccc1)Cc1ccccc1 ZINC000418701387 500309527 /nfs/dbraw/zinc/30/95/27/500309527.db2.gz GGYQOPLZRFZDJF-MOPGFXCFSA-N 2 0 368.525 3.066 20 0 FGADRP COc1ccc(CC[NH2+][C@@H](Cc2ccccc2)[C@H](C)[NH3+])cc1OC(F)F ZINC000422878887 500309719 /nfs/dbraw/zinc/30/97/19/500309719.db2.gz LEDMSNFKFUYOHZ-YOEHRIQHSA-N 2 0 364.436 3.387 20 0 FGADRP C[NH2+]CC1CC[NH+]([C@H](C)C(=O)N[C@H](C)c2ccc(Cl)cc2Cl)CC1 ZINC000430946067 500311473 /nfs/dbraw/zinc/31/14/73/500311473.db2.gz UYXZPQJZADVUND-CHWSQXEVSA-N 2 0 372.340 3.491 20 0 FGADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@@H](C)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000422901271 500313720 /nfs/dbraw/zinc/31/37/20/500313720.db2.gz RUPWUOWKCONVLI-FUHIMQAGSA-N 2 0 373.541 3.305 20 0 FGADRP C[C@H](C[C@H]1COCCN1)[NH2+]CCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000422901034 500314114 /nfs/dbraw/zinc/31/41/14/500314114.db2.gz BBDFCNLXMIPSPI-OFNKIYASSA-N 2 0 373.585 3.078 20 0 FGADRP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CC1CC[NH+](Cc2ccccc2)CC1 ZINC000422908697 500314935 /nfs/dbraw/zinc/31/49/35/500314935.db2.gz ZAOIXOMJJREDEG-AUSIDOKSSA-N 3 0 351.538 3.447 20 0 FGADRP CC[N@H+](CCC1CCN(C(=O)NC[C@H]2CCC[C@@H]([NH3+])C2)CC1)CC(C)C ZINC000418735020 500315217 /nfs/dbraw/zinc/31/52/17/500315217.db2.gz VXNHJFNKGCFUCA-VQTJNVASSA-N 2 0 366.594 3.294 20 0 FGADRP C[C@@H](CCCC[NH3+])[NH2+][C@@H](Cc1ccccc1)C(=O)N(C)c1ccccc1 ZINC000422919996 500317134 /nfs/dbraw/zinc/31/71/34/500317134.db2.gz LKGYGXGEFNFHEJ-RXVVDRJESA-N 2 0 353.510 3.368 20 0 FGADRP C[C@@H]([NH2+]C[C@H]1CCN(c2ccc(Br)cc2)C1)[C@@H]1CCCC[NH2+]1 ZINC000422949888 500322472 /nfs/dbraw/zinc/32/24/72/500322472.db2.gz UWGCSIAVELIDRO-RKVPGOIHSA-N 2 0 366.347 3.396 20 0 FGADRP C[C@H]([NH2+]CC1(c2cccc(Br)c2)CCOCC1)[C@H]1CCC[NH2+]1 ZINC000422949623 500322493 /nfs/dbraw/zinc/32/24/93/500322493.db2.gz UPAMOBNPFXKCDY-WMLDXEAASA-N 2 0 367.331 3.227 20 0 FGADRP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]C1CCN(C(=O)NC2CCCCC2)CC1 ZINC000422952590 500322639 /nfs/dbraw/zinc/32/26/39/500322639.db2.gz BKYQSVJXOFDSLM-DYESRHJHSA-N 2 0 372.557 3.041 20 0 FGADRP Brc1ccc(N2CC[C@@H](C[NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)cc1 ZINC000422951741 500322895 /nfs/dbraw/zinc/32/28/95/500322895.db2.gz ZZTLKRXQYXQZBE-JTUUTPGSSA-N 2 0 364.331 3.148 20 0 FGADRP CC[NH+]1CCN(c2ccc(NC(=O)[C@@H]3CCCCCC[C@@H]3[NH3+])c(C)c2)CC1 ZINC000431017508 500324314 /nfs/dbraw/zinc/32/43/14/500324314.db2.gz QNSXLQCUOSDXHN-UXHICEINSA-N 2 0 372.557 3.373 20 0 FGADRP CCOC(=O)C1([C@@H](C)[NH2+][C@H](c2ccco2)c2ccccc2)CC[NH2+]CC1 ZINC000422965928 500324562 /nfs/dbraw/zinc/32/45/62/500324562.db2.gz QFVBCVVNLMYBRO-APWZRJJASA-N 2 0 356.466 3.280 20 0 FGADRP [NH3+]CC1CCC([NH2+]Cc2ccc(OCCOc3ccccc3)nc2)CC1 ZINC000422973897 500326240 /nfs/dbraw/zinc/32/62/40/500326240.db2.gz PVUPPYKZESWAQQ-UHFFFAOYSA-N 2 0 355.482 3.147 20 0 FGADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CCc1nc(-c2cccc(Cl)c2)no1 ZINC000422983859 500326924 /nfs/dbraw/zinc/32/69/24/500326924.db2.gz VLQQGHORRQCFDN-LBPRGKRZSA-N 2 0 371.872 3.445 20 0 FGADRP C[C@H](C(=O)N[C@@H](C)c1cccc2ccccc21)[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000431040944 500327516 /nfs/dbraw/zinc/32/75/16/500327516.db2.gz PVTFRVTVYSUHQO-ZWKOTPCHSA-N 2 0 365.521 3.481 20 0 FGADRP CCOC(=O)C1([C@H](C)[NH2+]CC2(Cc3ccc(F)cc3)CC2)CC[NH2+]CC1 ZINC000422992729 500328542 /nfs/dbraw/zinc/32/85/42/500328542.db2.gz QGLJABBQURROCB-INIZCTEOSA-N 2 0 362.489 3.059 20 0 FGADRP FC(F)(F)c1cccnc1OCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000423001163 500329677 /nfs/dbraw/zinc/32/96/77/500329677.db2.gz WTSXSUDASPSNHD-VNQPRFMTSA-N 2 0 357.420 3.380 20 0 FGADRP Fc1ccc(C2(C[NH2+][C@@H]3CCOC[C@H]3[C@@H]3CCC[NH2+]3)CC2)c(Cl)c1 ZINC000423015557 500331155 /nfs/dbraw/zinc/33/11/55/500331155.db2.gz ADBQIPVQTODZQL-JCGIZDLHSA-N 2 0 352.881 3.257 20 0 FGADRP COc1ccc(Oc2ccc(CC[NH2+][C@@H]3CCOC[C@H]3[C@H](C)[NH3+])cc2)cc1 ZINC000423015091 500331166 /nfs/dbraw/zinc/33/11/66/500331166.db2.gz QKCFILFBAOJGQJ-WQTXXOFMSA-N 2 0 370.493 3.372 20 0 FGADRP [NH3+][C@H]1C[C@@H]([NH2+]CCc2ccc(OCC[NH+]3CCCC3)cc2)c2ccccc21 ZINC000423020087 500331671 /nfs/dbraw/zinc/33/16/71/500331671.db2.gz YQTPSKAALGTHBM-XZOQPEGZSA-N 3 0 365.521 3.438 20 0 FGADRP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@@H]2[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 ZINC000423024211 500332670 /nfs/dbraw/zinc/33/26/70/500332670.db2.gz IRKWHHKMGOWCOU-HSROGRKHSA-N 2 0 354.494 3.180 20 0 FGADRP C[C@@H]([NH2+]CCOc1c(Cl)cc(Br)cc1Cl)C1C[NH2+]C1 ZINC000423031745 500333051 /nfs/dbraw/zinc/33/30/51/500333051.db2.gz VKKNHPDUABMOCP-MRVPVSSYSA-N 2 0 368.102 3.332 20 0 FGADRP OC[C@@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000423036482 500333926 /nfs/dbraw/zinc/33/39/26/500333926.db2.gz UDHWTVYBLSJQGL-MYDTUXCISA-N 3 0 371.569 3.044 20 0 FGADRP CCOC(=O)C1([C@@H](C)[NH2+]C[C@@H]2CCCc3cc(OC)ccc32)CC[NH2+]CC1 ZINC000423049300 500335566 /nfs/dbraw/zinc/33/55/66/500335566.db2.gz JVKZHGPWUXKFLZ-AEFFLSMTSA-N 2 0 374.525 3.026 20 0 FGADRP C[C@H](CCC[NH3+])[NH2+]Cc1cc(Br)ccc1Br ZINC000423051290 500335642 /nfs/dbraw/zinc/33/56/42/500335642.db2.gz MZLCIUWEHUHSRU-SECBINFHSA-N 2 0 350.098 3.429 20 0 FGADRP CCOC(=O)C1([C@H](C)[NH2+]C[C@@H]2CCCc3cc(OC)ccc32)CC[NH2+]CC1 ZINC000423049503 500335880 /nfs/dbraw/zinc/33/58/80/500335880.db2.gz JVKZHGPWUXKFLZ-WMZOPIPTSA-N 2 0 374.525 3.026 20 0 FGADRP C[C@H]([NH2+]C1CCN(C(=O)c2ccccc2C(F)(F)F)CC1)[C@@H]1CCC[NH2+]1 ZINC000423056290 500336350 /nfs/dbraw/zinc/33/63/50/500336350.db2.gz XGKCMHVVARUMOZ-GUYCJALGSA-N 2 0 369.431 3.040 20 0 FGADRP CCOC(=O)C1([C@@H](C)[NH2+]C[C@H](c2ccccc2)C(F)(F)F)CC[NH2+]CC1 ZINC000423062776 500337109 /nfs/dbraw/zinc/33/71/09/500337109.db2.gz NQAWVIPJBYKSSZ-GDBMZVCRSA-N 2 0 372.431 3.244 20 0 FGADRP FC(F)(F)c1ccc(OCCC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)nc1 ZINC000423077884 500339110 /nfs/dbraw/zinc/33/91/10/500339110.db2.gz NDCDVHCUXWCOIT-OAGGEKHMSA-N 2 0 357.420 3.380 20 0 FGADRP Clc1ccc(-c2ncc(C[NH2+][C@@H](C3CC3)[C@H]3CNCCO3)s2)cc1 ZINC000423112826 500344035 /nfs/dbraw/zinc/34/40/35/500344035.db2.gz YBGZMXRVJVMDHE-SJORKVTESA-N 2 0 363.914 3.320 20 0 FGADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000423126588 500345891 /nfs/dbraw/zinc/34/58/91/500345891.db2.gz BBUBMADODMESMN-FKBYEOEOSA-N 3 0 371.569 3.022 20 0 FGADRP C[C@H](NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2)[C@@H]1CCCC[NH2+]1 ZINC000423127638 500346017 /nfs/dbraw/zinc/34/60/17/500346017.db2.gz CGTQQNWQFLFDLL-BVSLBCMMSA-N 3 0 371.569 3.035 20 0 FGADRP [NH3+]CC1CCC([NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)CC1 ZINC000423132634 500346501 /nfs/dbraw/zinc/34/65/01/500346501.db2.gz JPAYLUTUTVDUPC-IRQNMHNUSA-N 3 0 371.569 3.022 20 0 FGADRP Fc1ccc(-c2cn3c(n2)CC[C@@H]([NH2+]C2C[C@H]4CC[C@@H](C2)[NH2+]4)C3)c(F)c1 ZINC000423157491 500349710 /nfs/dbraw/zinc/34/97/10/500349710.db2.gz VFXZWIHCCHACMD-IUOOZAAYSA-N 2 0 358.436 3.016 20 0 FGADRP Cc1ccc(C[C@H](CO)[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1C ZINC000423162968 500349789 /nfs/dbraw/zinc/34/97/89/500349789.db2.gz LXYNMOWWSOGCTE-NWSQWKLXSA-N 2 0 366.505 3.052 20 0 FGADRP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000423180198 500352100 /nfs/dbraw/zinc/35/21/00/500352100.db2.gz KHWVUOGDYVVRRU-BMXMUORJSA-N 2 0 371.569 3.034 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCCC[NH2+]Cc1cccnc1 ZINC000423187785 500353178 /nfs/dbraw/zinc/35/31/78/500353178.db2.gz MTMMUADAGLRAJO-DENIHFKCSA-N 2 0 352.526 3.062 20 0 FGADRP C[C@H]([NH2+]C1CCC([NH3+])CC1)c1ccc(F)c(I)c1 ZINC000423232129 500356952 /nfs/dbraw/zinc/35/69/52/500356952.db2.gz MMQXONOHDJWOKE-GCVQQVDUSA-N 2 0 362.230 3.351 20 0 FGADRP C[C@@H]([NH2+]CC[C@H](C)[NH3+])c1cccc(S(=O)(=O)NC2CCCCCC2)c1 ZINC000423236673 500357418 /nfs/dbraw/zinc/35/74/18/500357418.db2.gz SCKUBHQKCCNSEH-JKSUJKDBSA-N 2 0 367.559 3.076 20 0 FGADRP CCc1ccc([C@H](CNC(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)[NH+](CC)CC)cc1 ZINC000431281414 500358682 /nfs/dbraw/zinc/35/86/82/500358682.db2.gz FNMQVXGKHMAONW-UIFIKXQLSA-N 2 0 374.573 3.414 20 0 FGADRP CCc1ccc([C@H](CNC(=O)NC2CC[NH+](CC)CC2)[NH+](CC)CC)cc1 ZINC000431286281 500359090 /nfs/dbraw/zinc/35/90/90/500359090.db2.gz XPTIFFBHBMQAFG-NRFANRHFSA-N 2 0 374.573 3.415 20 0 FGADRP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+]1C[C@@H](C)[C@@H](C)[C@@H]1C ZINC000419378547 500359378 /nfs/dbraw/zinc/35/93/78/500359378.db2.gz VUNAFDSGINCCRM-AKHDSKFASA-N 2 0 357.542 3.132 20 0 FGADRP C[NH2+]C[C@H](C)C[NH2+][C@@H](C)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000423267804 500359852 /nfs/dbraw/zinc/35/98/52/500359852.db2.gz FGPLUDMYUPHFOY-IRXDYDNUSA-N 2 0 352.482 3.419 20 0 FGADRP CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+]Cc2ccc([C@@H](C)[NH3+])cc2)cc1 ZINC000423294761 500362560 /nfs/dbraw/zinc/36/25/60/500362560.db2.gz VFYZZUYKVIWJBB-CABCVRRESA-N 2 0 361.511 3.319 20 0 FGADRP COc1ccc([C@@H]2CC[NH2+]C[C@H]2N[C@H]2CCc3c2cccc3OC)cc1 ZINC000423319162 500363711 /nfs/dbraw/zinc/36/37/11/500363711.db2.gz CJYYBOFIBVSILD-DZFGPLHGSA-N 2 0 352.478 3.426 20 0 FGADRP C[NH2+]CCc1ccccc1C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000423352601 500366316 /nfs/dbraw/zinc/36/63/16/500366316.db2.gz KUCXYXIHCGQATD-UHFFFAOYSA-N 2 0 351.494 3.339 20 0 FGADRP C[C@H]([NH3+])c1ccc(C(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)cc1 ZINC000423356495 500366697 /nfs/dbraw/zinc/36/66/97/500366697.db2.gz JYPIZLSPXGYVFX-JKSUJKDBSA-N 2 0 357.523 3.410 20 0 FGADRP C[C@H](CCc1ccc(I)cc1)[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000423378224 500369196 /nfs/dbraw/zinc/36/91/96/500369196.db2.gz WGKJKROMOWUVFW-KCXAZCMYSA-N 2 0 372.294 3.472 20 0 FGADRP COCC1(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)CC[NH2+]CC1 ZINC000423397892 500370549 /nfs/dbraw/zinc/37/05/49/500370549.db2.gz CJMPTKGWPROVLY-BDTNDASRSA-N 3 0 371.569 3.035 20 0 FGADRP Cc1ccc2cc([C@@H](C)[NH2+]C[C@H](N3CC[NH2+]CC3)C(F)(F)F)oc2c1 ZINC000423402580 500370855 /nfs/dbraw/zinc/37/08/55/500370855.db2.gz YMFWUORUHKGXPK-DYVFJYSZSA-N 2 0 355.404 3.228 20 0 FGADRP COCC1(C[NH2+][C@@H]2CCc3cc(Br)ccc32)CC[NH2+]CC1 ZINC000423405463 500371039 /nfs/dbraw/zinc/37/10/39/500371039.db2.gz JHNFCEFDQVACJB-MRXNPFEDSA-N 2 0 353.304 3.042 20 0 FGADRP Cc1c2ccccc2oc1[C@@H](C)[NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000423404599 500371223 /nfs/dbraw/zinc/37/12/23/500371223.db2.gz ZWOONUQJBHZSEG-CJNGLKHVSA-N 2 0 355.404 3.228 20 0 FGADRP COCC1(C[NH2+][C@@H](C)c2cc(Br)ccc2F)CC[NH2+]CC1 ZINC000423413700 500372515 /nfs/dbraw/zinc/37/25/15/500372515.db2.gz ZRIAIFCXHLWVAB-LBPRGKRZSA-N 2 0 359.283 3.255 20 0 FGADRP C[C@H](Nc1nc2ccc(F)cc2n1C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000431416047 500374323 /nfs/dbraw/zinc/37/43/23/500374323.db2.gz ULSIDNPFRVYXNK-DOTOQJQBSA-N 2 0 352.457 3.457 20 0 FGADRP COc1cc([C@H](C)NC[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)c(F)cn1 ZINC000423465791 500376755 /nfs/dbraw/zinc/37/67/55/500376755.db2.gz HWQLRUBBRPGYME-JLJPHGGASA-N 2 0 361.436 3.412 20 0 FGADRP CCc1ccccc1[C@@H]([NH3+])CN[C@@H](C)CS(=O)(=O)c1ccc(C)cc1 ZINC000423510907 500380660 /nfs/dbraw/zinc/38/06/60/500380660.db2.gz SSMUCVGJMHVXSN-JXFKEZNVSA-N 2 0 360.523 3.009 20 0 FGADRP COCCC[C@@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)c1ccc(F)cc1 ZINC000423514564 500381286 /nfs/dbraw/zinc/38/12/86/500381286.db2.gz UADATTYAYIJEOF-XVAXZDLZSA-N 2 0 363.521 3.099 20 0 FGADRP C[C@H](NCC1([NH3+])C2CC3CC(C2)CC1C3)c1cccc(OCC[NH+](C)C)c1 ZINC000423529642 500383212 /nfs/dbraw/zinc/38/32/12/500383212.db2.gz QEKCWMINWKDTQD-WZCXMZMXSA-N 2 0 371.569 3.431 20 0 FGADRP Fc1cccc(Cl)c1CN1CCC([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000423547746 500384247 /nfs/dbraw/zinc/38/42/47/500384247.db2.gz QCPJREKEBGSZIE-ZMSDIMECSA-N 2 0 365.924 3.421 20 0 FGADRP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH2+][C@@H]4CC[C@@H]5C[NH2+]C[C@@H]5C4)[C@@H]3C2)cc1 ZINC000423551898 500384307 /nfs/dbraw/zinc/38/43/07/500384307.db2.gz URQNWFPVWTZSLK-XNZMWDKWSA-N 3 0 353.554 3.265 20 0 FGADRP C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]CCC1=CC[NH2+]CC1 ZINC000423566354 500385284 /nfs/dbraw/zinc/38/52/84/500385284.db2.gz UFMLYBWGZNCRCN-CYBMUJFWSA-N 2 0 355.404 3.322 20 0 FGADRP C[C@H]([NH3+])CCC(=O)N(CCC[NH+](C)C)Cc1ccc(Cl)c(Cl)c1 ZINC000423765590 500400300 /nfs/dbraw/zinc/40/03/00/500400300.db2.gz URTMOIIBPNLZMI-ZDUSSCGKSA-N 2 0 360.329 3.401 20 0 FGADRP CC(C)CC[NH+]1CCC(CNC(=O)N2CC[NH+](C3CCCC3)CC2)CC1 ZINC000431649408 500403058 /nfs/dbraw/zinc/40/30/58/500403058.db2.gz OQIMNGOGWVWQRQ-UHFFFAOYSA-N 2 0 364.578 3.014 20 0 FGADRP CC[C@H]1CN(C(=O)C[C@H]([NH3+])c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000423826033 500406930 /nfs/dbraw/zinc/40/69/30/500406930.db2.gz OBIUGWOBPQVWRP-SFTDATJTSA-N 2 0 351.494 3.200 20 0 FGADRP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)[C@H]([NH3+])CC2CCCCC2)CC1 ZINC000423841896 500410570 /nfs/dbraw/zinc/41/05/70/500410570.db2.gz GKTYLVZRKLNNDP-OXJNMPFZSA-N 2 0 358.530 3.021 20 0 FGADRP C[C@H]1C[C@@H](CCNC(=O)CCC2CC[NH2+]CC2)C[N@@H+]1Cc1ccccc1 ZINC000423906554 500417858 /nfs/dbraw/zinc/41/78/58/500417858.db2.gz QLRJVGIIESFRLC-GHTZIAJQSA-N 2 0 357.542 3.183 20 0 FGADRP COc1cccc(NC(=O)[C@H](c2ccccc2)[NH+]2CCC(C[NH3+])CC2)c1 ZINC000420269224 500431259 /nfs/dbraw/zinc/43/12/59/500431259.db2.gz HQQRTWUKULQLDO-FQEVSTJZSA-N 2 0 353.466 3.046 20 0 FGADRP COC(=O)c1cccc(-c2nc(C[NH+]3CCC([C@@H](C)[NH3+])CC3)cs2)c1 ZINC000420296160 500435857 /nfs/dbraw/zinc/43/58/57/500435857.db2.gz QAODAWHCUDVISE-CYBMUJFWSA-N 2 0 359.495 3.156 20 0 FGADRP COc1ccc([C@@H](C[NH3+])C[NH+]2CCC(OCCc3ccccc3)CC2)cc1 ZINC000420295911 500436167 /nfs/dbraw/zinc/43/61/67/500436167.db2.gz BDHJYWAKRQIPAR-NRFANRHFSA-N 2 0 368.521 3.461 20 0 FGADRP COc1ccc([C@H](C[NH3+])C[N@H+](CCO)[C@@H]2CCCc3ccccc32)cc1 ZINC000420299920 500436544 /nfs/dbraw/zinc/43/65/44/500436544.db2.gz JRPUGBVJZBACER-DENIHFKCSA-N 2 0 354.494 3.109 20 0 FGADRP Brc1ccc(C2([NH2+]CC[C@H]3CC[NH2+]C3)CCOCC2)cc1 ZINC000420298207 500437025 /nfs/dbraw/zinc/43/70/25/500437025.db2.gz HAOOMKOUMBXFAS-CQSZACIVSA-N 2 0 353.304 3.044 20 0 FGADRP O=C(c1c(Cl)cccc1Cl)N1CC[NH+](CC[C@H]2CCC[NH2+]C2)CC1 ZINC000420298382 500437031 /nfs/dbraw/zinc/43/70/31/500437031.db2.gz FCMUHCSIXANHBR-CQSZACIVSA-N 2 0 370.324 3.141 20 0 FGADRP Cc1ccc(CCC(=O)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000424016360 500437098 /nfs/dbraw/zinc/43/70/98/500437098.db2.gz BWJCDJOIUSIGBX-UHFFFAOYSA-N 2 0 365.521 3.037 20 0 FGADRP CC(C)[N@H+](CC[C@H]1CC[NH2+]C1)C[C@H](O)COc1cccc2ccccc21 ZINC000420303011 500437844 /nfs/dbraw/zinc/43/78/44/500437844.db2.gz KFRUBGFJNUJXOI-QUCCMNQESA-N 2 0 356.510 3.290 20 0 FGADRP O=C1[C@H]([N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)CCCN1c1ccccc1Cl ZINC000420330589 500442306 /nfs/dbraw/zinc/44/23/06/500442306.db2.gz QEZQHISFTCOWAA-TXPKVOOTSA-N 2 0 361.917 3.157 20 0 FGADRP CC(C)(C)c1cccc(OCCC[N@@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)c1 ZINC000420329810 500442425 /nfs/dbraw/zinc/44/24/25/500442425.db2.gz PAFABPPJWQFSQE-IBGZPJMESA-N 2 0 360.542 3.440 20 0 FGADRP COc1ccc([C@H](C[NH3+])C[N@@H+](Cc2cccs2)C[C@H]2CCCO2)cc1 ZINC000420327288 500442444 /nfs/dbraw/zinc/44/24/44/500442444.db2.gz YDQSCKDTZODBPW-IEBWSBKVSA-N 2 0 360.523 3.480 20 0 FGADRP [NH3+]C[C@H]1C[N@H+](CCOc2ccc(Cl)cc2Cl)CC12CCOCC2 ZINC000420336548 500444208 /nfs/dbraw/zinc/44/42/08/500444208.db2.gz VUXHIVCYUMVWJA-ZDUSSCGKSA-N 2 0 359.297 3.060 20 0 FGADRP c1ccc(-n2nc(C[NH+]3CCC([C@@H]4CCC[NH2+]4)CC3)c3c2CCC3)cc1 ZINC000420340502 500444869 /nfs/dbraw/zinc/44/48/69/500444869.db2.gz SFFOUCLEJXDPRJ-FQEVSTJZSA-N 2 0 350.510 3.325 20 0 FGADRP C[C@@H](NC(=O)C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1)c1cccc2ccccc21 ZINC000420343868 500445170 /nfs/dbraw/zinc/44/51/70/500445170.db2.gz RPVVPQLKBYAJLU-VGOFRKELSA-N 2 0 365.521 3.481 20 0 FGADRP O=C(CC[NH+]1CCC([C@H]2CCC[NH2+]2)CC1)Nc1ccc(Cl)cc1F ZINC000420346497 500445348 /nfs/dbraw/zinc/44/53/48/500445348.db2.gz YLSZHAQDGJMIQH-MRXNPFEDSA-N 2 0 353.869 3.272 20 0 FGADRP O=C(C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1)Nc1ccc(Cl)c(Cl)c1 ZINC000420345013 500445693 /nfs/dbraw/zinc/44/56/93/500445693.db2.gz VOBDQJCNHDXNJM-STQMWFEESA-N 2 0 356.297 3.253 20 0 FGADRP O=C(CC[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1)Nc1ccc(Cl)cc1F ZINC000420346495 500445795 /nfs/dbraw/zinc/44/57/95/500445795.db2.gz YLSZHAQDGJMIQH-INIZCTEOSA-N 2 0 353.869 3.272 20 0 FGADRP COc1ccc([C@H](C[NH3+])CN2CCC[N@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000420362402 500447992 /nfs/dbraw/zinc/44/79/92/500447992.db2.gz ODAMJFPZOOIBGN-SIKLNZKXSA-N 2 0 367.537 3.334 20 0 FGADRP COc1ccc([C@@H](C[NH3+])C[NH2+][C@@H](c2ccc3c(c2)OCCO3)C2CC2)cc1 ZINC000420412098 500457291 /nfs/dbraw/zinc/45/72/91/500457291.db2.gz SBTHXRJAZKSNKB-PGRDOPGGSA-N 2 0 368.477 3.250 20 0 FGADRP CC(C)[C@H](C[NH2+][C@@H](Cc1ccncc1)c1cccs1)N1CC[NH+](C)CC1 ZINC000424259523 500476276 /nfs/dbraw/zinc/47/62/76/500476276.db2.gz CSWXFHATOBTUKE-PMACEKPBSA-N 2 0 372.582 3.289 20 0 FGADRP CC(C)[C@H](NC(=O)C[N@@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2)c1ccc(F)cc1 ZINC000424285734 500481130 /nfs/dbraw/zinc/48/11/30/500481130.db2.gz GIFMMWCIRHHNJC-JXFKEZNVSA-N 2 0 361.505 3.103 20 0 FGADRP CCC[NH+]1CCN(c2ccccc2C[N@@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)CC1 ZINC000424375063 500493143 /nfs/dbraw/zinc/49/31/43/500493143.db2.gz JFDIWZIJBZYUPJ-FQEVSTJZSA-N 3 0 370.585 3.183 20 0 FGADRP C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000424374815 500493213 /nfs/dbraw/zinc/49/32/13/500493213.db2.gz ZPNLHSVISMLLTG-NILFDRSVSA-N 2 0 354.292 3.026 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)NC1CCC([NH+](C)C)CC1 ZINC000420800757 500504631 /nfs/dbraw/zinc/50/46/31/500504631.db2.gz JRYAQFGDCQWWMM-WYNBGMTASA-N 2 0 372.557 3.069 20 0 FGADRP CC(CC[NH+]1CC[C@@H](O)CC12CCC2)CC[N@@H+]1CC[C@@H](O)CC12CCC2 ZINC000421012499 500553927 /nfs/dbraw/zinc/55/39/27/500553927.db2.gz TXNRVIBSGJASHD-WOJBJXKFSA-N 2 0 364.574 3.162 20 0 FGADRP CSc1ccc(OC[C@@H](O)C[NH2+]CC[C@@H](C)[NH+]2CCCCC2)cc1 ZINC000576631396 506202624 /nfs/dbraw/zinc/20/26/24/506202624.db2.gz NZMQUJYHLHHTFF-SJORKVTESA-N 2 0 352.544 3.002 20 0 FGADRP CC[N@@H+]1C[C@H](C)N(C(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)C[C@H]1C ZINC000428800285 500558871 /nfs/dbraw/zinc/55/88/71/500558871.db2.gz LKYHWEZRRXLXGU-MOPGFXCFSA-N 2 0 357.542 3.230 20 0 FGADRP Cc1ccc(NC(=O)CC[N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)nc1 ZINC000447346660 500594882 /nfs/dbraw/zinc/59/48/82/500594882.db2.gz XRVXXAPAMKHOKK-LJQANCHMSA-N 2 0 358.530 3.307 20 0 FGADRP CC(C)[NH2+]C1CCN(C(=O)NCC[NH+]2CCC3(CCCCC3)CC2)CC1 ZINC000442605027 500603912 /nfs/dbraw/zinc/60/39/12/500603912.db2.gz CGBCDRYJVLVHOV-UHFFFAOYSA-N 2 0 364.578 3.205 20 0 FGADRP CCc1ccc([C@H]2CC[N@H+](CC(=O)NC3CC[NH+](C(C)C)CC3)C2)cc1 ZINC000433048635 500613182 /nfs/dbraw/zinc/61/31/82/500613182.db2.gz XVOWFZPYECZDIW-FQEVSTJZSA-N 2 0 357.542 3.027 20 0 FGADRP CC[NH+](CC)[C@H](C(=O)N[C@@H]1CC[NH2+][C@@H](C)C1)c1cccc(C(F)(F)F)c1 ZINC000447514971 500615301 /nfs/dbraw/zinc/61/53/01/500615301.db2.gz AHSOYSJPLXGBRF-XKQJLSEDSA-N 2 0 371.447 3.345 20 0 FGADRP COc1ccc([C@@H]2CCCCCN2C(=O)CCC[NH+]2CCC([NH3+])CC2)cc1 ZINC000433119374 500630242 /nfs/dbraw/zinc/63/02/42/500630242.db2.gz FVNGXAQXGBSFFR-NRFANRHFSA-N 2 0 373.541 3.342 20 0 FGADRP C[C@H]([NH2+]CCc1ccc(OCC[NH+]2C[C@@H](C)[C@H](C)C2)cc1)c1ccnn1C ZINC000447589274 500630766 /nfs/dbraw/zinc/63/07/66/500630766.db2.gz XIXVMNODWNUMMO-QRVBRYPASA-N 2 0 370.541 3.280 20 0 FGADRP [NH3+]C1CC[NH+](CCCC(=O)N[C@@H](Cc2ccccc2)c2cccs2)CC1 ZINC000433160548 500636697 /nfs/dbraw/zinc/63/66/97/500636697.db2.gz VJEOVRCAKHSBAZ-IBGZPJMESA-N 2 0 371.550 3.351 20 0 FGADRP [NH3+]C1CC[NH+](CCCC(=O)Nc2nc(/C=C/c3ccccc3)cs2)CC1 ZINC000433161928 500637514 /nfs/dbraw/zinc/63/75/14/500637514.db2.gz LFGTVMMCDOICGF-CMDGGOBGSA-N 2 0 370.522 3.455 20 0 FGADRP Cc1cc([C@@H]([NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)c2cccnc2)ccc1F ZINC000442872638 500637603 /nfs/dbraw/zinc/63/76/03/500637603.db2.gz JXBPIWROWIIWHO-OAQYLSRUSA-N 2 0 370.516 3.234 20 0 FGADRP CC[C@@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)c1cc(Cl)ccc1OC ZINC000442875655 500638081 /nfs/dbraw/zinc/63/80/81/500638081.db2.gz OLESIDUUPFHJPB-QGZVFWFLSA-N 2 0 353.938 3.415 20 0 FGADRP C[C@@H](Cc1ccccc1C(F)(F)F)[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000442877762 500638602 /nfs/dbraw/zinc/63/86/02/500638602.db2.gz RTIABAZEAWDXNV-HNNXBMFYSA-N 2 0 357.464 3.252 20 0 FGADRP C[C@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)c1cccc(Br)c1 ZINC000442880697 500638871 /nfs/dbraw/zinc/63/88/71/500638871.db2.gz XVSQVHVCTYFCMD-AWEZNQCLSA-N 2 0 354.336 3.126 20 0 FGADRP COc1ccc(C[N@H+](C)CC2CC[NH+](C)CC2)c(OCc2cccnc2)c1 ZINC000447736833 500655542 /nfs/dbraw/zinc/65/55/42/500655542.db2.gz ACWOSZNOXACFAY-UHFFFAOYSA-N 2 0 369.509 3.443 20 0 FGADRP C[C@H](C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2)[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443054782 500669636 /nfs/dbraw/zinc/66/96/36/500669636.db2.gz AEJUAKIJNCFECX-KSZLIROESA-N 2 0 357.542 3.192 20 0 FGADRP C[C@H](C(=O)NC(c1ccccc1)c1ccccc1)[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443054790 500669780 /nfs/dbraw/zinc/66/97/80/500669780.db2.gz AEOWYGDTVSUUBV-MOPGFXCFSA-N 2 0 365.521 3.342 20 0 FGADRP COc1ccc(-c2nc(C[N@@H+]3CCC[C@@H](CC[NH3+])C3)cs2)c(OC)c1 ZINC000443057685 500670687 /nfs/dbraw/zinc/67/06/87/500670687.db2.gz HTVXMNWIJDGYOV-AWEZNQCLSA-N 2 0 361.511 3.388 20 0 FGADRP C[C@H](C(=O)N[C@@H](C)c1ccc2ccccc2c1)[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443068989 500674482 /nfs/dbraw/zinc/67/44/82/500674482.db2.gz JCZYCQUZCPRHJL-RCCFBDPRSA-N 2 0 353.510 3.466 20 0 FGADRP [NH3+]CCC[C@H](NC(=O)C1CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000573563378 506212615 /nfs/dbraw/zinc/21/26/15/506212615.db2.gz YLXBKBPMBQTGDQ-QFIPXVFZSA-N 2 0 365.521 3.495 20 0 FGADRP Cc1nn(C)c(C[NH2+]CCCC[N@H+]2CCCC[C@H]2C)c1Br ZINC000447935554 500692499 /nfs/dbraw/zinc/69/24/99/500692499.db2.gz HXKWEEPZCUWSDV-CYBMUJFWSA-N 2 0 357.340 3.235 20 0 FGADRP C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000447973891 500699157 /nfs/dbraw/zinc/69/91/57/500699157.db2.gz CBAHPIMEQGXQSQ-FQEVSTJZSA-N 2 0 372.557 3.202 20 0 FGADRP C[C@@H](NC(=O)NCc1ccccc1C[NH+]1CCCCC1)C(C)(C)C[NH+](C)C ZINC000443230251 500699486 /nfs/dbraw/zinc/69/94/86/500699486.db2.gz DEUQNDOUZAZNOR-GOSISDBHSA-N 2 0 374.573 3.448 20 0 FGADRP CN1CC[NH+](CC2(C)CCN(Cc3ccc(Cl)cc3F)CC2)CC1 ZINC000437969202 500722640 /nfs/dbraw/zinc/72/26/40/500722640.db2.gz HMLXFGUTHUNQIB-UHFFFAOYSA-N 2 0 353.913 3.329 20 0 FGADRP C[C@@H]1CC[N@H+](CCOc2ccc(NC(=O)C[C@@H]([NH3+])c3ccccc3)cc2)C1 ZINC000448235572 500737048 /nfs/dbraw/zinc/73/70/48/500737048.db2.gz YUQMQFADIXRUHY-DYESRHJHSA-N 2 0 367.493 3.436 20 0 FGADRP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)N2CCC([NH+]3CCCCC3)CC2)C1 ZINC000448469730 500763106 /nfs/dbraw/zinc/76/31/06/500763106.db2.gz BHPROTNIYRLXDD-IBGZPJMESA-N 2 0 364.578 3.014 20 0 FGADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@H]2CCCO[C@@H]2c2cnn(C)c2)CC1 ZINC000433960127 500772291 /nfs/dbraw/zinc/77/22/91/500772291.db2.gz ODMCKLPOXIYGQI-MBPVOVBZSA-N 2 0 360.546 3.273 20 0 FGADRP CC[NH+](CC)[C@H](C(=O)NCC1([NH3+])CCC1)c1cccc(C(F)(F)F)c1 ZINC000582418950 506217820 /nfs/dbraw/zinc/21/78/20/506217820.db2.gz ZJWPXUFMOODSAU-HNNXBMFYSA-N 2 0 357.420 3.086 20 0 FGADRP C[C@@H]1C[NH+](CCCC[NH2+]Cc2cnc(C(F)(F)F)s2)C[C@@H](C)O1 ZINC000443971120 500785244 /nfs/dbraw/zinc/78/52/44/500785244.db2.gz TXSPATPBMFQCCF-VXGBXAGGSA-N 2 0 351.438 3.141 20 0 FGADRP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)N(CC[NH+](C)C)Cc1cccs1 ZINC000439311835 500883948 /nfs/dbraw/zinc/88/39/48/500883948.db2.gz ZJPSJWMPKPAWKR-IAGOWNOFSA-N 2 0 366.575 3.084 20 0 FGADRP C[NH+](C)CCC1CC[NH+](Cc2c(Cl)cccc2N2CCOCC2)CC1 ZINC000449013195 500896618 /nfs/dbraw/zinc/89/66/18/500896618.db2.gz BKGYTGLOXKJROT-UHFFFAOYSA-N 2 0 365.949 3.340 20 0 FGADRP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3cccc4c(OC)cccc34)C2)CC1 ZINC000449022239 500900249 /nfs/dbraw/zinc/90/02/49/500900249.db2.gz HNJUAKAVKSUUTR-LJQANCHMSA-N 2 0 353.510 3.060 20 0 FGADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H](C)COc2ccc(Cl)c(Cl)c2)CC1 ZINC000449075670 500918819 /nfs/dbraw/zinc/91/88/19/500918819.db2.gz FVNJRDFHXZIPIU-HUUCEWRRSA-N 2 0 374.356 3.376 20 0 FGADRP COCC1CCC([NH2+]CCCN2CC[N@H+](C)C[C@H]2c2ccccc2)CC1 ZINC000449079412 500919762 /nfs/dbraw/zinc/91/97/62/500919762.db2.gz YQVFGMNWGGWHLV-VTLFHKLASA-N 2 0 359.558 3.160 20 0 FGADRP C[C@@H](C[NH2+]C1CC[NH+](C(C)(C)C)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000449087307 500921508 /nfs/dbraw/zinc/92/15/08/500921508.db2.gz FTKNRMQKYLHJQW-HNNXBMFYSA-N 2 0 352.544 3.046 20 0 FGADRP COc1cccc2c(C[NH2+]C3CC[NH+]([C@@H]4CCC[C@@H]4O)CC3)cccc12 ZINC000449193352 500945018 /nfs/dbraw/zinc/94/50/18/500945018.db2.gz SDBWWGCHWSPJMQ-RTWAWAEBSA-N 2 0 354.494 3.316 20 0 FGADRP COc1cccc2c(C[NH2+]C3CC[NH+]([C@H]4CCC[C@@H]4O)CC3)cccc12 ZINC000449193354 500945219 /nfs/dbraw/zinc/94/52/19/500945219.db2.gz SDBWWGCHWSPJMQ-SFTDATJTSA-N 2 0 354.494 3.316 20 0 FGADRP C[C@H](CCN1CCOCC1)[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449225396 500951780 /nfs/dbraw/zinc/95/17/80/500951780.db2.gz OIIQPEUPVFTWQP-GOSISDBHSA-N 2 0 353.595 3.366 20 0 FGADRP C[C@@H](NC(=O)NCC[N@@H+]1CCCC(C)(C)C1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000445247388 500959963 /nfs/dbraw/zinc/95/99/63/500959963.db2.gz IFJQNZIEGADGBJ-MSOLQXFVSA-N 2 0 364.578 3.061 20 0 FGADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3cn(-c4ccccc4)nc3-c3cccnc3)C[C@@H]21 ZINC000435383898 500964363 /nfs/dbraw/zinc/96/43/63/500964363.db2.gz JUWFIWIUEJMKBC-YUXAGFNASA-N 2 0 373.504 3.494 20 0 FGADRP CCOc1cc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)ccc1OCC(F)(F)F ZINC000435389029 500966002 /nfs/dbraw/zinc/96/60/02/500966002.db2.gz KIGMFVASVNMKGC-ZNMIVQPWSA-N 2 0 358.404 3.196 20 0 FGADRP COc1cc(CN2CCCC[C@@H]2[C@@H](C)[NH3+])ccc1OCc1ccncc1 ZINC000435391446 500966570 /nfs/dbraw/zinc/96/65/70/500966570.db2.gz WQPKTQILYMFLHO-VQIMIIECSA-N 2 0 355.482 3.371 20 0 FGADRP C[C@H]([NH3+])C1CC[NH+](Cc2nc(-c3ccc(Br)cc3)c[nH]2)CC1 ZINC000435396202 500967579 /nfs/dbraw/zinc/96/75/79/500967579.db2.gz VALXFTCSVKEXML-LBPRGKRZSA-N 2 0 363.303 3.398 20 0 FGADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC000440115663 500976735 /nfs/dbraw/zinc/97/67/35/500976735.db2.gz BPQAJQFTNIWCFY-QFUCXCTJSA-N 2 0 355.526 3.345 20 0 FGADRP CCN(CC(=O)N1CC[C@@H](C)Sc2ccccc21)[C@@H]1CCC[NH2+]CC1 ZINC000435628704 501004644 /nfs/dbraw/zinc/00/46/44/501004644.db2.gz RNMQYTDZUBJMSF-IAGOWNOFSA-N 2 0 361.555 3.368 20 0 FGADRP CCC[NH+]1CCN(c2ccccc2C[N@@H+]2CC[C@H](OCC)[C@@H](C)C2)CC1 ZINC000449491491 501016090 /nfs/dbraw/zinc/01/60/90/501016090.db2.gz HCCWTKQUPVYVAK-UGKGYDQZSA-N 2 0 359.558 3.466 20 0 FGADRP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@H]([C@@H](CO)C2CC2)C2CC2)CC1 ZINC000449507057 501020645 /nfs/dbraw/zinc/02/06/45/501020645.db2.gz LMECCFCAEZQUNI-VSDWSMLSSA-N 2 0 356.554 3.469 20 0 FGADRP Cc1ncsc1CN(CCCOc1ccc(F)cc1)C[C@@H]1CC[NH2+]C1 ZINC000435738293 501020916 /nfs/dbraw/zinc/02/09/16/501020916.db2.gz QKPIOBFLSQLLCM-MRXNPFEDSA-N 2 0 363.502 3.471 20 0 FGADRP FC(F)(F)c1cc(C[NH2+]CC2CC[NH+](Cc3ccccc3)CC2)[nH]n1 ZINC000440817946 501052231 /nfs/dbraw/zinc/05/22/31/501052231.db2.gz IEWPZPDQNZFHKB-UHFFFAOYSA-N 2 0 352.404 3.430 20 0 FGADRP C[C@H]([NH2+][C@@H]1CCO[C@H](c2nccn2C)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000449770788 501082957 /nfs/dbraw/zinc/08/29/57/501082957.db2.gz IZIXXEFORFGIFW-WJMWBRGCSA-N 2 0 368.525 3.140 20 0 FGADRP C[C@H]([NH2+][C@@H]1CCO[C@@H](c2nccn2C)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000449770787 501082996 /nfs/dbraw/zinc/08/29/96/501082996.db2.gz IZIXXEFORFGIFW-OYNPSCLESA-N 2 0 368.525 3.140 20 0 FGADRP CC1(C)[C@@H]2OCCC[C@H]2[C@]1([NH3+])C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000446266010 501096448 /nfs/dbraw/zinc/09/64/48/501096448.db2.gz SXAXUZIXMYPJEG-KNKQGSTJSA-N 2 0 371.525 3.144 20 0 FGADRP CC(C)Oc1ccc2[nH+]ccc(N3CC[C@H](C[NH+]4CCOCC4)C3)c2c1 ZINC000450352521 501098236 /nfs/dbraw/zinc/09/82/36/501098236.db2.gz BVCDWLSMZALRTJ-QGZVFWFLSA-N 2 0 355.482 3.181 20 0 FGADRP C[N@@H+]1CCN(CC[NH2+]Cc2cc(Cl)ccc2OC(F)F)CC1(C)C ZINC000441350125 501125252 /nfs/dbraw/zinc/12/52/52/501125252.db2.gz BBJQYCQOXRRMOR-UHFFFAOYSA-N 2 0 361.864 3.057 20 0 FGADRP C[N@@H+]1CCN(CC[NH2+]Cc2ccc(OCc3ccccc3)cc2)CC1(C)C ZINC000441383493 501131526 /nfs/dbraw/zinc/13/15/26/501131526.db2.gz MDVVNYHAINGMNT-UHFFFAOYSA-N 2 0 367.537 3.381 20 0 FGADRP Fc1ccc(C[N@@H+]2CC[C@@]3(CCOC3)C2)cc1C[NH+]1CC[C@]2(CCOC2)C1 ZINC000450484852 501133873 /nfs/dbraw/zinc/13/38/73/501133873.db2.gz NIGQVDOOAPVXFD-YADHBBJMSA-N 2 0 374.500 3.051 20 0 FGADRP O=C(NCCC[NH+]1CCCCC1)C1CC[NH+](CC23CCC(CC2)C3)CC1 ZINC000450607212 501165719 /nfs/dbraw/zinc/16/57/19/501165719.db2.gz BFWAZAAJTPVPDY-UHFFFAOYSA-N 2 0 361.574 3.271 20 0 FGADRP CC(C)[C@H](COCc1ccccc1)[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000446837299 501170448 /nfs/dbraw/zinc/17/04/48/501170448.db2.gz WPIHAZSPAVSYBD-UNMCSNQZSA-N 2 0 360.542 3.318 20 0 FGADRP Cn1nccc1N1CCC[C@H]([NH2+]CC(C)(C)C[N@H+](C)Cc2ccccc2)C1 ZINC000447094188 501204513 /nfs/dbraw/zinc/20/45/13/501204513.db2.gz PSNFMKBXCFATOP-FQEVSTJZSA-N 2 0 369.557 3.137 20 0 FGADRP C[NH+](Cc1cc(C[N@@H+](C)[C@H]2CCCOC2)ccc1F)[C@H]1CCCOC1 ZINC000450978432 501236584 /nfs/dbraw/zinc/23/65/84/501236584.db2.gz MCXFUSWGILIYGW-OALUTQOASA-N 2 0 350.478 3.047 20 0 FGADRP Cc1ccccc1C[NH+]1CCC(NC(=O)N(C)[C@@H]2CC[N@@H+](C(C)C)C2)CC1 ZINC000457632423 501272478 /nfs/dbraw/zinc/27/24/78/501272478.db2.gz FQPXQZZCUOLAGC-OAQYLSRUSA-N 2 0 372.557 3.084 20 0 FGADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)NCC[C@@H]1CCC[NH+](C)C1 ZINC000457654786 501278756 /nfs/dbraw/zinc/27/87/56/501278756.db2.gz UCSYJCDDULOLKY-SFHVURJKSA-N 2 0 360.546 3.058 20 0 FGADRP C[C@H](CCN1CCOCC1)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000453148032 501279084 /nfs/dbraw/zinc/27/90/84/501279084.db2.gz QKLCQPUIWVCPOX-JMJGKCIBSA-N 2 0 371.569 3.130 20 0 FGADRP CCNC(=O)C(C)(C)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000453178081 501285723 /nfs/dbraw/zinc/28/57/23/501285723.db2.gz URUZUXPHMPPWKI-ZCNNSNEGSA-N 2 0 357.542 3.182 20 0 FGADRP COc1ccc2c(c1)C[C@H]([NH2+][C@@H](C)[C@H]1CC[N@H+](Cc3ccccc3)C1)CO2 ZINC000453195341 501288813 /nfs/dbraw/zinc/28/88/13/501288813.db2.gz JNTMFTKKPMCOQG-CUWPLCDZSA-N 2 0 366.505 3.499 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N(C)[C@@H]1CC[N@@H+](C(C)C)C1)c1ccsc1 ZINC000457695582 501289152 /nfs/dbraw/zinc/28/91/52/501289152.db2.gz VDMGPXCVKIVVLN-QZTJIDSGSA-N 2 0 366.575 3.255 20 0 FGADRP CC(C)[C@@H](CNC(=O)NC(C)(C)CCC[NH+](C)C)[NH+]1CCC(C)CC1 ZINC000457695159 501289316 /nfs/dbraw/zinc/28/93/16/501289316.db2.gz UUNDXJDXIGLQIG-GOSISDBHSA-N 2 0 354.583 3.163 20 0 FGADRP CC(=O)N1CCC[C@H](C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)C1 ZINC000453211797 501291835 /nfs/dbraw/zinc/29/18/35/501291835.db2.gz HAGAULINZIZQTI-ODAXIHTASA-N 2 0 369.553 3.278 20 0 FGADRP Cc1[nH+]c2c(n1[C@H]1CCN(C(=O)C3C[NH+](C4CCCCC4)C3)C1)CCCC2 ZINC000457740930 501298625 /nfs/dbraw/zinc/29/86/25/501298625.db2.gz PMTUKJXDPZHBJU-IBGZPJMESA-N 2 0 370.541 3.108 20 0 FGADRP COC1([C@H](C)[NH2+]C[C@H]2CCCC[N@H+](Cc3ccccc3)C2)CCOCC1 ZINC000453254634 501300835 /nfs/dbraw/zinc/30/08/35/501300835.db2.gz PJPKYSDLQCPVOZ-PZJWPPBQSA-N 2 0 360.542 3.462 20 0 FGADRP CC(C)(C)CC(C)(C)[NH+]1CCN(C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000457800926 501311622 /nfs/dbraw/zinc/31/16/22/501311622.db2.gz XXEGZOGKPHUUPI-ROUUACIJSA-N 2 0 364.578 3.155 20 0 FGADRP CNC(=O)C[C@@H](C)[NH2+][C@H](CCC[NH+]1CCC(C)CC1)c1ccc(F)cc1 ZINC000453386337 501323519 /nfs/dbraw/zinc/32/35/19/501323519.db2.gz VECIOQNBZRTFAU-YLJYHZDGSA-N 2 0 363.521 3.493 20 0 FGADRP CCc1ccc(CN2CCN(C(=O)NCc3cnc(C)cc3C)CC2)s1 ZINC000455558236 501333793 /nfs/dbraw/zinc/33/37/93/501333793.db2.gz MOWIGBSONTXELI-UHFFFAOYSA-N 2 0 372.538 3.350 20 0 FGADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)NC(C)(C)CCC[NH+](C)C)C1 ZINC000457933687 501338177 /nfs/dbraw/zinc/33/81/77/501338177.db2.gz QLRNTULQIKSEMQ-HKUYNNGSSA-N 2 0 360.546 3.242 20 0 FGADRP C[NH+](C)CCN(Cc1ccccc1)C(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000611659890 506247039 /nfs/dbraw/zinc/24/70/39/506247039.db2.gz QJRMCVFHYUYJMF-UHFFFAOYSA-N 2 0 360.546 3.024 20 0 FGADRP Cc1ccc([C@H](CNC(=O)N(C)[C@H]2CC[N@@H+](C(C)C)C2)[NH+]2CCCC2)cc1 ZINC000458134070 501377523 /nfs/dbraw/zinc/37/75/23/501377523.db2.gz HSSYSTILSKRQMI-SFTDATJTSA-N 2 0 372.557 3.256 20 0 FGADRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2ccccc2OCC(F)(F)F)CC1 ZINC000451979338 501412299 /nfs/dbraw/zinc/41/22/99/501412299.db2.gz GOCFHJMFHWGDGP-UHFFFAOYSA-N 2 0 373.463 3.133 20 0 FGADRP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+]2[C@@H](C)CCC2(C)C)CC1 ZINC000452017800 501419367 /nfs/dbraw/zinc/41/93/67/501419367.db2.gz XLVIXMXBQINNFU-SFHVURJKSA-N 2 0 357.542 3.339 20 0 FGADRP CSC1(C[NH2+]Cc2nnn(-c3ccccc3)c2C2CC2)CC[NH+](C)CC1 ZINC000602665451 506252156 /nfs/dbraw/zinc/25/21/56/506252156.db2.gz BSDYKZMIYDQDKJ-UHFFFAOYSA-N 2 0 371.554 3.062 20 0 FGADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)NC1CC[NH+](C2CCC2)CC1)c1ccccc1 ZINC000458374642 501429931 /nfs/dbraw/zinc/42/99/31/501429931.db2.gz OQNJUKZZORYHSI-QGZVFWFLSA-N 2 0 372.557 3.432 20 0 FGADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NC(C)(C)C[NH+]1CCCC1 ZINC000458522834 501465724 /nfs/dbraw/zinc/46/57/24/501465724.db2.gz YKYZSWDDSBZITK-ICSRJNTNSA-N 2 0 372.557 3.071 20 0 FGADRP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)NC[C@@H](C2CC2)[NH+](C)Cc2ccccc2)C1 ZINC000458665703 501502801 /nfs/dbraw/zinc/50/28/01/501502801.db2.gz JCFAYWYUBVVNOJ-RTWAWAEBSA-N 2 0 372.557 3.021 20 0 FGADRP Cc1ccc([C@H](CNC(=O)NC2CC[NH+](C3CCC3)CC2)[NH+]2CCCC2)o1 ZINC000454446659 501547267 /nfs/dbraw/zinc/54/72/67/501547267.db2.gz XYXRRJGXNUFMBT-IBGZPJMESA-N 2 0 374.529 3.041 20 0 FGADRP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)NCCCC[N@H+](C)C2CC2)CC1 ZINC000454527929 501569753 /nfs/dbraw/zinc/56/97/53/501569753.db2.gz VVMZEVFFWBSSEI-GOSISDBHSA-N 2 0 372.557 3.386 20 0 FGADRP CC(C)OC[C@H](O)C[N@@H+]1CC(C)(C)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000453017199 501602225 /nfs/dbraw/zinc/60/22/25/501602225.db2.gz MSKUJJQPIKZQAF-YADHBBJMSA-N 2 0 374.569 3.395 20 0 FGADRP C[C@@H](NC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)c1ccc(Cl)cc1 ZINC000459278756 501624189 /nfs/dbraw/zinc/62/41/89/501624189.db2.gz KYRDNZIIHVBKBD-MRXNPFEDSA-N 2 0 368.953 3.316 20 0 FGADRP COc1ccc(-c2ccccc2C)cc1C[NH2+]C[C@@H](C)N1CC[NH+](C)CC1 ZINC000459418377 501650232 /nfs/dbraw/zinc/65/02/32/501650232.db2.gz AAFUWMUPVDPVBY-LJQANCHMSA-N 2 0 367.537 3.396 20 0 FGADRP CC(C)(C)NC(=O)C[NH+]1CCC(C[NH2+]C2CC(C)(c3ccccc3)C2)CC1 ZINC000459419215 501650581 /nfs/dbraw/zinc/65/05/81/501650581.db2.gz DMJVLMVOXCSLJU-UHFFFAOYSA-N 2 0 371.569 3.323 20 0 FGADRP O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)NC1CC[NH+](C2CCC2)CC1 ZINC000457440269 501698716 /nfs/dbraw/zinc/69/87/16/501698716.db2.gz KPLMJMOUMBFOGW-LJQANCHMSA-N 2 0 374.529 3.123 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)N1CC[C@]2(C1)CCC[N@H+](C)C2)c1ccccc1 ZINC000457457445 501701892 /nfs/dbraw/zinc/70/18/92/501701892.db2.gz NROKTAIHGSYTQO-RBBKRZOGSA-N 2 0 372.557 3.197 20 0 FGADRP C[N@@H+]1CCC[C@H](CC[NH2+]C2CCN(C(=O)c3ccccc3Cl)CC2)C1 ZINC000459727715 501704651 /nfs/dbraw/zinc/70/46/51/501704651.db2.gz HGHHOFOCDBRZDO-MRXNPFEDSA-N 2 0 363.933 3.266 20 0 FGADRP C[N@@H+]1CCC[C@@H](CC[NH2+]Cc2cc(Br)cc3c2OCC3)C1 ZINC000459772306 501712043 /nfs/dbraw/zinc/71/20/43/501712043.db2.gz IKGHOHVKLPKKSL-ZDUSSCGKSA-N 2 0 353.304 3.206 20 0 FGADRP CC[NH+](CC)Cc1ccc(CNC(=O)NCC[C@H]2CCC[N@H+](C)C2)cc1 ZINC000457529579 501717155 /nfs/dbraw/zinc/71/71/55/501717155.db2.gz PQEBSGSWCBDBDN-LJQANCHMSA-N 2 0 360.546 3.060 20 0 FGADRP CCCN(C(=O)c1ccnc(C[NH3+])c1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000463479067 501735548 /nfs/dbraw/zinc/73/55/48/501735548.db2.gz PLSGFKDQHNKHQS-OAQYLSRUSA-N 2 0 366.509 3.057 20 0 FGADRP CC(C)[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC[NH+](Cc3cccc(F)c3)C2)C1 ZINC000470672189 501761631 /nfs/dbraw/zinc/76/16/31/501761631.db2.gz BRADVQRYFWJSGI-UYAOXDASSA-N 2 0 361.505 3.027 20 0 FGADRP CCC(=O)N1CC[C@H]([NH2+][C@@H]2CCCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000485234101 501764707 /nfs/dbraw/zinc/76/47/07/501764707.db2.gz IYRPTQFRKJJTLF-CLAROIROSA-N 2 0 369.553 3.278 20 0 FGADRP CC(C)[C@@H](C[NH2+][C@@H](C)Cc1cccc(C(F)(F)F)c1)N1CC[NH+](C)CC1 ZINC000467308442 501767823 /nfs/dbraw/zinc/76/78/23/501767823.db2.gz PEQRRJRYDCKDFR-QFBILLFUSA-N 2 0 371.491 3.498 20 0 FGADRP C[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]CCN2CCc3ccccc3C2=O)CC1 ZINC000467367755 501778461 /nfs/dbraw/zinc/77/84/61/501778461.db2.gz ZTZGHMWVFKFIOX-PGRDOPGGSA-N 2 0 369.553 3.318 20 0 FGADRP Cc1cc(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)ccc1I ZINC000467373398 501779860 /nfs/dbraw/zinc/77/98/60/501779860.db2.gz LZSSPLBAFMUEJW-WOSRLPQWSA-N 2 0 372.294 3.418 20 0 FGADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](C[C@@H](O)Cc2ccc3ccccc3c2)C1 ZINC000470757936 501793104 /nfs/dbraw/zinc/79/31/04/501793104.db2.gz VYTCZLSGHHEZMY-XZOQPEGZSA-N 2 0 370.537 3.176 20 0 FGADRP C[N@@H+]1CCCC[C@H]1CCC(=O)NCC(C)(C)[NH+]1CCc2ccccc2C1 ZINC000481531391 501804964 /nfs/dbraw/zinc/80/49/64/501804964.db2.gz UYZLNANRMOPBSG-FQEVSTJZSA-N 2 0 357.542 3.204 20 0 FGADRP COC(=O)c1csc(-c2cccc(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@H]4C3)c2)n1 ZINC000477859783 501812049 /nfs/dbraw/zinc/81/20/49/501812049.db2.gz UTXSMDAOHZLTQN-SJORKVTESA-N 2 0 371.506 3.313 20 0 FGADRP CCCN(CC[NH+]1CCCCCC1)C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000460465543 501829847 /nfs/dbraw/zinc/82/98/47/501829847.db2.gz FWAKRPAAQGMAQE-RBUKOAKNSA-N 2 0 352.567 3.157 20 0 FGADRP CC[NH+]1CCN(Cc2ccc(C[NH2+]CCCc3ccc(C)nc3)cc2)CC1 ZINC000474462934 501845022 /nfs/dbraw/zinc/84/50/22/501845022.db2.gz ADLFIUYWXKNSMH-UHFFFAOYSA-N 2 0 366.553 3.250 20 0 FGADRP CC(C)[C@H](CNC(=O)NCc1ccc(C[NH+](C)C)cc1)[NH+]1CCCCCC1 ZINC000611737975 506278463 /nfs/dbraw/zinc/27/84/63/506278463.db2.gz CBYIQISVNAHTFJ-NRFANRHFSA-N 2 0 374.573 3.448 20 0 FGADRP O[C@@H](CCc1ccccc1)C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000470993046 501885595 /nfs/dbraw/zinc/88/55/95/501885595.db2.gz AYUGVMCQBAPVLH-ZRBLBEILSA-N 2 0 350.506 3.044 20 0 FGADRP CCCC[N@H+](C)C[C@H](C)NC(=O)N[C@@H](C)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000460652960 501886350 /nfs/dbraw/zinc/88/63/50/501886350.db2.gz XQDUFRQYZIHUKV-OKZBNKHCSA-N 2 0 352.567 3.059 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C/C=C/c1ccc(F)cc1 ZINC000474629630 501900594 /nfs/dbraw/zinc/90/05/94/501900594.db2.gz NBOIHDDYNPQOMT-ZEZYUPADSA-N 2 0 361.505 3.104 20 0 FGADRP CC(C)(C)[NH+]1CCC(NC(=O)c2ccc(Nc3cc[nH+]cc3)cc2)CC1 ZINC000468022623 501932676 /nfs/dbraw/zinc/93/26/76/501932676.db2.gz PJXZWLHIVANTKW-UHFFFAOYSA-N 2 0 352.482 3.240 20 0 FGADRP O=C(N[C@H]1CC[N@H+](CC2CCCC2)C1)[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000464351561 501963946 /nfs/dbraw/zinc/96/39/46/501963946.db2.gz LVRDIUVOCREOLN-YADHBBJMSA-N 2 0 369.553 3.279 20 0 FGADRP CNC(=O)C[C@@H]([NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1)c1ccccc1 ZINC000482070839 501964185 /nfs/dbraw/zinc/96/41/85/501964185.db2.gz FFGYCHYVRXFWPH-LAUBAEHRSA-N 2 0 369.509 3.155 20 0 FGADRP C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000468138100 501969876 /nfs/dbraw/zinc/96/98/76/501969876.db2.gz KAVUFYQIURBQIB-KRWDZBQOSA-N 2 0 352.482 3.241 20 0 FGADRP Fc1cccc2c1CC[C@@H]2[NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000482111323 501977715 /nfs/dbraw/zinc/97/77/15/501977715.db2.gz AZFPOUNWOLDURK-NRFANRHFSA-N 2 0 354.473 3.010 20 0 FGADRP COc1ccc([C@H](C)[NH2+]CCCN2CCN(c3cc[nH+]cc3)CC2)cc1F ZINC000482116882 501980411 /nfs/dbraw/zinc/98/04/11/501980411.db2.gz YKWJAZMVHMKZLH-KRWDZBQOSA-N 2 0 372.488 3.092 20 0 FGADRP C[C@H]1Cc2ccc(F)cc2[C@H]1[NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000482130268 501983176 /nfs/dbraw/zinc/98/31/76/501983176.db2.gz UVFYRVIFWWEDSZ-JTSKRJEESA-N 2 0 368.500 3.256 20 0 FGADRP O=C(CC[N@@H+]1CCc2ccccc2C1)NC1CC[NH+](CC2CCCC2)CC1 ZINC000471346283 501994412 /nfs/dbraw/zinc/99/44/12/501994412.db2.gz QPOLBQWGOKBGDK-UHFFFAOYSA-N 2 0 369.553 3.206 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Cc1cccc(C(F)F)c1 ZINC000468285216 502016213 /nfs/dbraw/zinc/01/62/13/502016213.db2.gz JDURGPXMVDRENF-GOSISDBHSA-N 2 0 367.484 3.041 20 0 FGADRP C[NH+](C)[C@@H](CNC(=O)C[N@H+](C)CCc1ccc(Cl)cc1)c1ccccc1 ZINC000475027604 502025974 /nfs/dbraw/zinc/02/59/74/502025974.db2.gz CQHVLMJRAAEHMY-FQEVSTJZSA-N 2 0 373.928 3.233 20 0 FGADRP C[C@@H]1C[NH+](CCC2CC[NH+](C[C@@H](O)C3CCCCC3)CC2)C[C@@H](C)O1 ZINC000475031653 502026972 /nfs/dbraw/zinc/02/69/72/502026972.db2.gz KFBSVGOLVLSORR-DBXWQHBBSA-N 2 0 352.563 3.139 20 0 FGADRP C[C@@H](CC[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1)OCc1ccccc1 ZINC000475056912 502039510 /nfs/dbraw/zinc/03/95/10/502039510.db2.gz ONYMAMSSAOEHSC-UNMCSNQZSA-N 2 0 359.558 3.084 20 0 FGADRP CCCN(CCC[NH+](C)C)C(=O)NCCCn1c(C)nc2ccccc21 ZINC000468430184 502057173 /nfs/dbraw/zinc/05/71/73/502057173.db2.gz PLVUOLSURRVVPF-UHFFFAOYSA-N 2 0 359.518 3.108 20 0 FGADRP CCCN(CCC[NH+](C)C)C(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000468453889 502062079 /nfs/dbraw/zinc/06/20/79/502062079.db2.gz YUQWMAQEYRBEBE-SFHVURJKSA-N 2 0 364.534 3.180 20 0 FGADRP CC(C)c1nc2c([nH]1)C[C@H](C(=O)NC[C@@]1([NH+](C)C)CCC[C@@H](C)C1)CC2 ZINC000475107764 502062419 /nfs/dbraw/zinc/06/24/19/502062419.db2.gz GVDAQRWDBZTFIH-WHSLLNHNSA-N 2 0 360.546 3.265 20 0 FGADRP C[C@H](CCCCN1C(=O)c2ccccc2C1=O)[NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000471594212 502079326 /nfs/dbraw/zinc/07/93/26/502079326.db2.gz CBLRIDJMZPRBQL-FGTMMUONSA-N 2 0 371.525 3.304 20 0 FGADRP COC[C@H](Cc1ccccc1)[N@H+](C)Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000475150240 502082246 /nfs/dbraw/zinc/08/22/46/502082246.db2.gz HQAQGWRQWKMNGS-NRFANRHFSA-N 2 0 350.466 3.265 20 0 FGADRP CC[C@@H](C)[N@H+](C)CCNC(=O)N(CC)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000475168925 502089077 /nfs/dbraw/zinc/08/90/77/502089077.db2.gz BBVWBZDFUUMLDM-QUCCMNQESA-N 2 0 360.546 3.023 20 0 FGADRP CCCC[C@H](COC)[NH2+][C@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000482539351 502105097 /nfs/dbraw/zinc/10/50/97/502105097.db2.gz BWTJXADSDOFTQD-SJLPKXTDSA-N 2 0 351.510 3.433 20 0 FGADRP C[C@@H]([NH2+]CCc1ccc(OCC[NH+](C)C)cc1)c1ccc2c(c1)OCO2 ZINC000482549608 502107691 /nfs/dbraw/zinc/10/76/91/502107691.db2.gz AMEKFBRLKPZEFH-MRXNPFEDSA-N 2 0 356.466 3.249 20 0 FGADRP COC[C@@H](CC(C)C)[NH2+][C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000482567546 502111932 /nfs/dbraw/zinc/11/19/32/502111932.db2.gz REPXPSFCUNQVSY-FUHWJXTLSA-N 2 0 351.510 3.289 20 0 FGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+][C@H](COC)C(C)C)CC1 ZINC000482568761 502113004 /nfs/dbraw/zinc/11/30/04/502113004.db2.gz JCHGKPQWAAXYSF-VQIMIIECSA-N 2 0 351.510 3.289 20 0 FGADRP C[C@H](CC[NH+](C)C)NC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000482595105 502121299 /nfs/dbraw/zinc/12/12/99/502121299.db2.gz WQMGAEWIUPXZSW-GIVPXCGWSA-N 2 0 372.557 3.023 20 0 FGADRP C[N@H+](CCNC(=O)NC[C@@H]1CC[NH+](Cc2ccccc2)C1)C1CCCCC1 ZINC000471772390 502131772 /nfs/dbraw/zinc/13/17/72/502131772.db2.gz SCSSENQNZOUHLY-FQEVSTJZSA-N 2 0 372.557 3.072 20 0 FGADRP CC(C)[NH+]1CCC(C(=O)N2CCCC[C@@H]2[C@@H](C[NH3+])Cc2ccccc2)CC1 ZINC000471790016 502137682 /nfs/dbraw/zinc/13/76/82/502137682.db2.gz UETJLYHKUNRWBD-FGZHOGPDSA-N 2 0 371.569 3.306 20 0 FGADRP CNC(=O)c1ccc(C[N@@H+]2CCCC[C@H]2[C@H](C[NH3+])Cc2ccccc2)cc1 ZINC000471833951 502149106 /nfs/dbraw/zinc/14/91/06/502149106.db2.gz DCPIPHHAXPWTIM-VXKWHMMOSA-N 2 0 365.521 3.218 20 0 FGADRP CC(C)[C@@H]1CN(C(=O)N[C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)CC[N@@H+]1C ZINC000486496504 502171497 /nfs/dbraw/zinc/17/14/97/502171497.db2.gz QTFWEMQIFCAELG-JBACZVJFSA-N 2 0 372.557 3.021 20 0 FGADRP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H](C)c3cnn(C(C)C)c3C)cn2)CC1 ZINC000468768903 502176051 /nfs/dbraw/zinc/17/60/51/502176051.db2.gz BAWQJQPSGQEYNY-KRWDZBQOSA-N 2 0 370.545 3.160 20 0 FGADRP CCN(CCC[NH+]1CCCC1)C(=O)NCCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000472115258 502237434 /nfs/dbraw/zinc/23/74/34/502237434.db2.gz MBFVZNJPNCKCRY-PMACEKPBSA-N 2 0 366.594 3.262 20 0 FGADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)NC[C@@H](c2ccccc2)[NH+](CC)CC)C1 ZINC000465434092 502260954 /nfs/dbraw/zinc/26/09/54/502260954.db2.gz PHJKTMIBUCFDOV-FPOVZHCZSA-N 2 0 374.573 3.443 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](C)CCc1ccccc1 ZINC000465435656 502261878 /nfs/dbraw/zinc/26/18/78/502261878.db2.gz BPUOMAHUPFSBMW-PZJWPPBQSA-N 2 0 374.573 3.065 20 0 FGADRP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+]2C[C@H](C)C[C@@H](C)[C@H]2C)CC1 ZINC000475731234 502268124 /nfs/dbraw/zinc/26/81/24/502268124.db2.gz DAXFCJYHWYKNQF-MISYRCLQSA-N 2 0 371.569 3.442 20 0 FGADRP Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC000469064536 502283427 /nfs/dbraw/zinc/28/34/27/502283427.db2.gz PLLIGTXJQKKJTF-IAGOWNOFSA-N 2 0 361.555 3.355 20 0 FGADRP CC(C)c1cc(NC[C@@H](c2ccco2)[NH+]2CCCCC2)nc(N(C)C)[nH+]1 ZINC000462110258 502310482 /nfs/dbraw/zinc/31/04/82/502310482.db2.gz DAVODPFPCIKRGS-KRWDZBQOSA-N 2 0 357.502 3.320 20 0 FGADRP C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)N[C@H]3CC[NH+](C)[C@H](C)C3)cc2)C1 ZINC000465570642 502311249 /nfs/dbraw/zinc/31/12/49/502311249.db2.gz MWPYGAKCEZCZFW-OPYAIIAOSA-N 2 0 372.557 3.200 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC000469138113 502311470 /nfs/dbraw/zinc/31/14/70/502311470.db2.gz QHTQZIPLPHBVBM-PZJWPPBQSA-N 2 0 372.557 3.159 20 0 FGADRP CCC(CC)[C@H](CNC(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C)[NH+]1CCCC1 ZINC000465584507 502315578 /nfs/dbraw/zinc/31/55/78/502315578.db2.gz DOAVLXARLCFVGA-PMACEKPBSA-N 2 0 366.594 3.403 20 0 FGADRP COC(=O)c1coc(C[N@@H+]2CCCC[C@H]2[C@@H](C[NH3+])Cc2ccccc2)c1 ZINC000472363874 502330348 /nfs/dbraw/zinc/33/03/48/502330348.db2.gz ABDZKJPPMMSGIK-XLIONFOSSA-N 2 0 356.466 3.238 20 0 FGADRP CCCN(CC[NH+]1CCCC1)C(=O)NCCCC[N@@H+]1CCCC[C@H]1C ZINC000479709879 502353170 /nfs/dbraw/zinc/35/31/70/502353170.db2.gz PRFLOMNUFHACRZ-LJQANCHMSA-N 2 0 352.567 3.158 20 0 FGADRP C[C@@H]1CCC[C@@](CNC(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)([NH+](C)C)C1 ZINC000465727645 502360505 /nfs/dbraw/zinc/36/05/05/502360505.db2.gz QYFHAQJVRVZQOQ-QWFCFKBJSA-N 2 0 352.567 3.013 20 0 FGADRP CCO[C@H]1C[C@@H]([N@H+](C)CCCN2CC[NH+](C(C)C)CC2)C12CCCCC2 ZINC000472581827 502390768 /nfs/dbraw/zinc/39/07/68/502390768.db2.gz PYTFCCYRCAONGT-RTWAWAEBSA-N 2 0 365.606 3.462 20 0 FGADRP CCOc1ccc(-c2nc(CN3CC[C@]4(CC[NH2+]C4)C3)cs2)cc1OC ZINC000462397410 502420709 /nfs/dbraw/zinc/42/07/09/502420709.db2.gz NGKTZTDYXAIZHX-FQEVSTJZSA-N 2 0 373.522 3.403 20 0 FGADRP CC1CC[NH+](Cc2cccc(CNC(=O)N[C@@H]3CC[N@H+](C)[C@H](C)C3)c2)CC1 ZINC000465929285 502430898 /nfs/dbraw/zinc/43/08/98/502430898.db2.gz DUZMLTSHIIKTIV-WIYYLYMNSA-N 2 0 372.557 3.200 20 0 FGADRP Cc1[nH+]c2c(n1[C@H]1CCN(C(=O)c3ccccc3C[NH+](C)C)C1)CCCC2 ZINC000487416739 502438680 /nfs/dbraw/zinc/43/86/80/502438680.db2.gz RBRFKMASKJCSNY-SFHVURJKSA-N 2 0 366.509 3.219 20 0 FGADRP CC(C)[C@H]1CN(C(=O)NCC(C)(C)[NH2+][C@H](C)c2ccccc2)CC[N@@H+]1C ZINC000487471852 502452679 /nfs/dbraw/zinc/45/26/79/502452679.db2.gz QGLAUWPIILCXLC-IEBWSBKVSA-N 2 0 360.546 3.097 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](C)c1cccc(C)c1C ZINC000466019038 502455766 /nfs/dbraw/zinc/45/57/66/502455766.db2.gz GONPCYCOVHWVDU-VQTJNVASSA-N 2 0 374.573 3.422 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NCCCC[NH+]2CCCC[C@H]2C)C[C@@H]1C ZINC000483682978 502461679 /nfs/dbraw/zinc/46/16/79/502461679.db2.gz LFSZDWIXBLMFQO-QYZOEREBSA-N 2 0 352.567 3.155 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H]1C[C@H]1C1CCCCC1 ZINC000466084921 502474695 /nfs/dbraw/zinc/47/46/95/502474695.db2.gz LNACSDLPCDFPOY-HSALFYBXSA-N 2 0 364.578 3.013 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N(C)[C@H]1CC[N@H+](CC)[C@@H](C)C1)c1ccco1 ZINC000483778091 502489541 /nfs/dbraw/zinc/48/95/41/502489541.db2.gz UMIUKRFJIUVALU-OKZBNKHCSA-N 2 0 364.534 3.177 20 0 FGADRP C[C@@H]1C[NH+](CC2CC[NH+](CCCOc3ccc(F)cc3)CC2)C[C@@H](C)O1 ZINC000588710599 506316482 /nfs/dbraw/zinc/31/64/82/506316482.db2.gz STZWHKQLTMIXBZ-QZTJIDSGSA-N 2 0 364.505 3.416 20 0 FGADRP CCCC[NH+]1CCC(NC(=O)NCC[C@@H](C)[N@H+](C)Cc2ccccc2)CC1 ZINC000473023013 502501869 /nfs/dbraw/zinc/50/18/69/502501869.db2.gz NAJKSEGXLLDESI-LJQANCHMSA-N 2 0 374.573 3.461 20 0 FGADRP CCC[NH+]1CCC(NC(=O)N[C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000483888049 502514388 /nfs/dbraw/zinc/51/43/88/502514388.db2.gz SWXHMWLEMBIISR-UYAOXDASSA-N 2 0 372.557 3.071 20 0 FGADRP Cc1ccc([C@H](Cn2ccnc2)NCc2cn(C(C)(C)C)nn2)c(C)c1 ZINC000480289269 502526904 /nfs/dbraw/zinc/52/69/04/502526904.db2.gz NAMOSWYELMQMFO-IBGZPJMESA-N 2 0 352.486 3.378 20 0 FGADRP Cc1cccc2c(NCc3ccccc3C[N@@H+]3CC[C@@H](O)C3)c(C)c[nH+]c12 ZINC000462687144 502533578 /nfs/dbraw/zinc/53/35/78/502533578.db2.gz BJHWHRBZEDYJTO-HXUWFJFHSA-N 2 0 361.489 3.452 20 0 FGADRP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCC2([NH+](C)C)CCCC2)C1 ZINC000476632416 502545064 /nfs/dbraw/zinc/54/50/64/502545064.db2.gz SUTJGEIYDLOUPB-KRWDZBQOSA-N 2 0 352.567 3.061 20 0 FGADRP C[C@@H]1CN(C(=O)NC[C@H](C2CCCCC2)[NH+](C)C)CC[N@@H+](C2CCC2)C1 ZINC000487847249 502546029 /nfs/dbraw/zinc/54/60/29/502546029.db2.gz ZWSXSXCVOUFMAQ-FXAWDEMLSA-N 2 0 364.578 3.013 20 0 FGADRP CCC[C@@H]([NH2+]C(C)C)C(=O)NC[C@@H](c1cccc(OC)c1)[NH+]1CCCC1 ZINC000473290663 502560279 /nfs/dbraw/zinc/56/02/79/502560279.db2.gz AKOCPQAIPXMDPW-UXHICEINSA-N 2 0 361.530 3.115 20 0 FGADRP CCC[C@@H]([NH2+]C(C)C)C(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000473298285 502561873 /nfs/dbraw/zinc/56/18/73/502561873.db2.gz DEOZSDCAEBAZRA-SJLPKXTDSA-N 2 0 351.560 3.243 20 0 FGADRP Cc1nn(C(C)C)cc1C[NH2+]CCCN1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000462789929 502574593 /nfs/dbraw/zinc/57/45/93/502574593.db2.gz LMBHOOGEJIPDKH-JOCHJYFZSA-N 2 0 369.557 3.241 20 0 FGADRP CCCOc1c(Br)cc(CN2CC[C@H]([C@H](C)[NH3+])C2)cc1OC ZINC000469867344 502576377 /nfs/dbraw/zinc/57/63/77/502576377.db2.gz VIPYXAJZNWYMTQ-JSGCOSHPSA-N 2 0 371.319 3.416 20 0 FGADRP COc1ccccc1-c1ccc([C@H](C)[NH2+]CC2(O)CC[NH+](C)CC2)cc1 ZINC000484129083 502577077 /nfs/dbraw/zinc/57/70/77/502577077.db2.gz KRUSKVBNXBWAJC-KRWDZBQOSA-N 2 0 354.494 3.470 20 0 FGADRP C[C@@H]([NH2+]Cc1c2c(nn1C)CCCC2)c1ccc(OCC[NH+](C)C)cc1 ZINC000462806255 502582722 /nfs/dbraw/zinc/58/27/22/502582722.db2.gz JEHUMAWDBSQUAD-MRXNPFEDSA-N 2 0 356.514 3.090 20 0 FGADRP C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)N1CCN(Cc2ccccc2)C[C@H]1C ZINC000476785873 502585350 /nfs/dbraw/zinc/58/53/50/502585350.db2.gz BIVSGRWWPUUECI-SLFFLAALSA-N 2 0 372.557 3.023 20 0 FGADRP CC[NH+](CC)CCOc1ccc(-c2noc([C@H]3C[N@H+](C)C[C@@H]3C)n2)cc1 ZINC000462822928 502587924 /nfs/dbraw/zinc/58/79/24/502587924.db2.gz XXMPVCPMUJVMNR-YJBOKZPZSA-N 2 0 358.486 3.122 20 0 FGADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1 ZINC000469902849 502591292 /nfs/dbraw/zinc/59/12/92/502591292.db2.gz VQZVMSJGJHBKAG-ZIAGYGMSSA-N 2 0 353.894 3.092 20 0 FGADRP O[C@@H]1CC[N@H+](Cc2cccc(NC3CC[NH+](C4CCCCC4)CC3)c2)C1 ZINC000462862650 502603016 /nfs/dbraw/zinc/60/30/16/502603016.db2.gz XACSFBZOPNYWFH-JOCHJYFZSA-N 2 0 357.542 3.462 20 0 FGADRP C[NH+]1CCN(Cc2ccc(C[NH2+][C@@H]3CCCc4ccc(O)cc43)cc2)CC1 ZINC000462884353 502613038 /nfs/dbraw/zinc/61/30/38/502613038.db2.gz PKFCQLGMXPZSCG-HSZRJFAPSA-N 2 0 365.521 3.307 20 0 FGADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]C[C@@H]1CCN(c2ccccc2F)C1 ZINC000462910036 502624502 /nfs/dbraw/zinc/62/45/02/502624502.db2.gz JPNPPWVNKXDURB-KRWDZBQOSA-N 2 0 365.456 3.331 20 0 FGADRP C[C@@H]([NH3+])C1CC[NH+](Cc2cc(Br)c3c(c2)OCCCO3)CC1 ZINC000469999107 502625969 /nfs/dbraw/zinc/62/59/69/502625969.db2.gz JHEOUSQDFWCHFF-GFCCVEGCSA-N 2 0 369.303 3.170 20 0 FGADRP COC1(C[NH2+]CCCN2CC[N@H+](C)C[C@@H]2c2ccccc2)CCCCC1 ZINC000480645645 502631780 /nfs/dbraw/zinc/63/17/80/502631780.db2.gz SBWHIPFTLZGPHL-OAQYLSRUSA-N 2 0 359.558 3.304 20 0 FGADRP COc1ccc2oc([C@@H](C)[NH2+]CCN3CCC([NH+](C)C)CC3)c(C)c2c1 ZINC000484477477 502649598 /nfs/dbraw/zinc/64/95/98/502649598.db2.gz AQOCIKCWANXCGJ-MRXNPFEDSA-N 2 0 359.514 3.426 20 0 FGADRP C[C@@H]([NH2+]CCCC[NH+]1CCN(CCO)CC1)c1ccc(C(C)(C)C)cc1 ZINC000488240772 502667748 /nfs/dbraw/zinc/66/77/48/502667748.db2.gz IBKJQYIJBWOWFV-LJQANCHMSA-N 2 0 361.574 3.025 20 0 FGADRP CC(C)O[C@@H]1C[C@H]([NH2+]Cc2ccc(CN3CC[NH+](C)CC3)cc2)C1(C)C ZINC000463035499 502669316 /nfs/dbraw/zinc/66/93/16/502669316.db2.gz QRUKPEUTWWXQNY-LEWJYISDSA-N 2 0 359.558 3.116 20 0 FGADRP CC(C)(C[NH2+]Cc1c[nH]nc1-c1ccc2c(c1)OCCO2)C[NH+]1CCCC1 ZINC000480920709 502705589 /nfs/dbraw/zinc/70/55/89/502705589.db2.gz MQZYUQACXHKEPT-UHFFFAOYSA-N 2 0 370.497 3.060 20 0 FGADRP C[C@H](c1ccc(Cl)cc1)N(C)C(=O)C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000480961504 502714372 /nfs/dbraw/zinc/71/43/72/502714372.db2.gz LNWWNSXIYJDZHU-OAHLLOKOSA-N 2 0 351.922 3.133 20 0 FGADRP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N[C@@H]2CC[NH+](C3CCCC3)C2)C1 ZINC000477240817 502716104 /nfs/dbraw/zinc/71/61/04/502716104.db2.gz AGDWQCQAYOORDB-ZWKOTPCHSA-N 2 0 364.578 3.203 20 0 FGADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](CO)Cc2ccccc2OC(F)(F)F)[C@@H](C)C1 ZINC000470258913 502718220 /nfs/dbraw/zinc/71/82/20/502718220.db2.gz UHHDCDRTKQQGIO-UXLLHSPISA-N 2 0 374.447 3.056 20 0 FGADRP CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)NCC1(C)CC[NH+](C)CC1 ZINC000470291696 502726195 /nfs/dbraw/zinc/72/61/95/502726195.db2.gz HEMQTXSSBREYJZ-HXUWFJFHSA-N 2 0 374.573 3.174 20 0 FGADRP CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)N(CC[NH+](C)C)C(C)C ZINC000470299637 502728582 /nfs/dbraw/zinc/72/85/82/502728582.db2.gz VODDGCKEVHVVDI-HXUWFJFHSA-N 2 0 362.562 3.125 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)c1ccc2c(c1)CC[NH2+]CC2)c1ccccc1 ZINC000474006905 502777263 /nfs/dbraw/zinc/77/72/63/502777263.db2.gz PWZZXEWDCSUEHZ-QFIPXVFZSA-N 2 0 365.521 3.188 20 0 FGADRP CCN1CC[NH+](CCCC[NH2+][C@H]2CC(C)(C)c3cc(OC)ccc32)CC1 ZINC000474024728 502781962 /nfs/dbraw/zinc/78/19/62/502781962.db2.gz QQRGTARVWLHTCE-NRFANRHFSA-N 2 0 359.558 3.425 20 0 FGADRP CC[C@H](C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1)[NH+](CC)CC ZINC000484938896 502782003 /nfs/dbraw/zinc/78/20/03/502782003.db2.gz MIZGURGIWKVIAX-PWRODBHTSA-N 2 0 357.542 3.087 20 0 FGADRP C[NH+](C)CCc1ccc(CNC(=O)N2CC[NH+](CCC(C)(C)C)CC2)cc1 ZINC000467090331 502784462 /nfs/dbraw/zinc/78/44/62/502784462.db2.gz HIHKUITXXMHLAX-UHFFFAOYSA-N 2 0 374.573 3.054 20 0 FGADRP C[C@@H]([NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1)C1CCC(F)(F)CC1 ZINC000474048978 502789738 /nfs/dbraw/zinc/78/97/38/502789738.db2.gz YZRZIIRJZSOMNF-OAHLLOKOSA-N 2 0 367.484 3.282 20 0 FGADRP C[C@H]1CCC[C@](CNC(=O)N2CCC(CCC[NH+](C)C)CC2)([NH+](C)C)C1 ZINC000500717579 502846810 /nfs/dbraw/zinc/84/68/10/502846810.db2.gz VAWYQRDCUPCQSK-RXVVDRJESA-N 2 0 366.594 3.260 20 0 FGADRP C[C@@H](CNC(=O)N1CCC(CCC[NH+](C)C)CC1)[N@@H+]1CCCC[C@@H]1C ZINC000500816108 502869495 /nfs/dbraw/zinc/86/94/95/502869495.db2.gz WWPBHHHVMJINHL-ROUUACIJSA-N 2 0 352.567 3.013 20 0 FGADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000500832600 502873466 /nfs/dbraw/zinc/87/34/66/502873466.db2.gz GTKAJOUKFBJQIR-NRFANRHFSA-N 2 0 372.557 3.346 20 0 FGADRP C[N@@H+]1CCC[C@H]1CC[NH2+][C@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1 ZINC000513195721 502874494 /nfs/dbraw/zinc/87/44/94/502874494.db2.gz GRMRHISHZWNLQR-ROUUACIJSA-N 2 0 356.432 3.481 20 0 FGADRP CC[C@H](CC(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@@H+]1CC)c1ccccc1 ZINC000505343930 502891038 /nfs/dbraw/zinc/89/10/38/502891038.db2.gz NBXXNHRFWOFVPF-TZIWHRDSSA-N 2 0 359.558 3.445 20 0 FGADRP C[C@H](C(=O)N1C[C@H](C)C[C@@H](C)C1)[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501025616 502914649 /nfs/dbraw/zinc/91/46/49/502914649.db2.gz ZKGGZFJGCSZWJR-GUDVDZBRSA-N 2 0 372.557 3.123 20 0 FGADRP Cc1cccc(C)c1NC(=O)C[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501049601 502922455 /nfs/dbraw/zinc/92/24/55/502922455.db2.gz CFHDTRHZQKFNEU-UHFFFAOYSA-N 2 0 366.509 3.485 20 0 FGADRP COc1ccc2c(c1)C[C@H](C)[N@@H+](CCCN1CC[NH+](C(C)C)CC1)[C@H]2C ZINC000501051811 502923193 /nfs/dbraw/zinc/92/31/93/502923193.db2.gz LMOPCIDHVQPBTP-OALUTQOASA-N 2 0 359.558 3.419 20 0 FGADRP COc1cccc([C@@H]2C[C@@H](C)C[N@@H+]2CCCN2CC[NH+](C(C)C)CC2)c1 ZINC000501063145 502925836 /nfs/dbraw/zinc/92/58/36/502925836.db2.gz GFZZFNHEBJMCOR-KNQAVFIVSA-N 2 0 359.558 3.494 20 0 FGADRP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3ccc4c(c3)CCC(C)(C)O4)C2)CC1 ZINC000513462400 502945433 /nfs/dbraw/zinc/94/54/33/502945433.db2.gz VLWYWHGOJONVHI-FQEVSTJZSA-N 2 0 357.542 3.002 20 0 FGADRP C[N@@H+]1C[C@H](NC(=O)c2ccc(Nc3cc[nH+]cc3)cc2)[C@H](c2ccccc2)C1 ZINC000497400850 502949829 /nfs/dbraw/zinc/94/98/29/502949829.db2.gz JTZLQWONDVPXKM-VXKWHMMOSA-N 2 0 372.472 3.075 20 0 FGADRP C[C@@H]1C[C@@H]([NH2+]CCC(=O)N2CCCCCC2)CCN1Cc1ccccc1 ZINC000513486730 502950137 /nfs/dbraw/zinc/95/01/37/502950137.db2.gz WZSYLDYAQGJMOX-CTNGQTDRSA-N 2 0 357.542 3.422 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc(Cl)ccc1C ZINC000509683321 502966273 /nfs/dbraw/zinc/96/62/73/502966273.db2.gz ZMNWVOYZMJHSJM-QGZVFWFLSA-N 2 0 351.922 3.137 20 0 FGADRP CN(C)[C@H](C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)c1ccccc1 ZINC000513580689 502970031 /nfs/dbraw/zinc/97/00/31/502970031.db2.gz QMVQLSKBAKXBKG-SFTDATJTSA-N 2 0 351.494 3.070 20 0 FGADRP CC(C)N1CC[C@H](NC(=O)[C@H]([NH3+])c2ccccc2)[C@H]1c1ccc(F)c(F)c1 ZINC000497499546 502973122 /nfs/dbraw/zinc/97/31/22/502973122.db2.gz YNYNQJCKKLOXNR-XUVXKRRUSA-N 2 0 373.447 3.305 20 0 FGADRP Cc1cc(C[NH2+]Cc2ccc(CN3CC[NH+](C)CC3)cc2)cc(C)c1O ZINC000513647658 502990038 /nfs/dbraw/zinc/99/00/38/502990038.db2.gz JNQLDTYGSIKZMM-UHFFFAOYSA-N 2 0 353.510 3.046 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Cc1csc2ccccc12 ZINC000505808428 502990948 /nfs/dbraw/zinc/99/09/48/502990948.db2.gz XKSCPWUVOINKTQ-GOSISDBHSA-N 2 0 373.566 3.318 20 0 FGADRP CCC[NH+]1CCN(c2ccccc2C[N@H+](CCO)Cc2ccccc2)CC1 ZINC000505875767 503003277 /nfs/dbraw/zinc/00/32/77/503003277.db2.gz ARYDJIHIZVLFHZ-UHFFFAOYSA-N 2 0 367.537 3.213 20 0 FGADRP CC(C)(C)NC(=O)C[NH2+][C@@H]1CCCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000513707238 503004909 /nfs/dbraw/zinc/00/49/09/503004909.db2.gz ANVNJBHVIWCSMC-VAMGGRTRSA-N 2 0 357.542 3.182 20 0 FGADRP C/C(=C/c1ccccc1C(F)(F)F)C[NH2+]C[C@H](C)N1CC[NH+](C)CC1 ZINC000501473822 503016145 /nfs/dbraw/zinc/01/61/45/503016145.db2.gz CMJZTPGUXUIVMK-IRVMHKCDSA-N 2 0 355.448 3.334 20 0 FGADRP C[C@@H](CNC(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1)[NH+]1CCCC[C@@H]1C ZINC000501488891 503019230 /nfs/dbraw/zinc/01/92/30/503019230.db2.gz DQUQGSMNRIGWGW-YRPNKDGESA-N 2 0 366.594 3.307 20 0 FGADRP C[C@H](CNC(=O)NCCCC[NH+]1CCC(C)CC1)[N@@H+]1CCCC[C@H]1C ZINC000501490216 503019654 /nfs/dbraw/zinc/01/96/54/503019654.db2.gz JOAYXPKQEQRDAH-RTBURBONSA-N 2 0 352.567 3.061 20 0 FGADRP C[C@@H](CNC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)[N@@H+]1CCC[C@H](C)C1 ZINC000501518336 503028012 /nfs/dbraw/zinc/02/80/12/503028012.db2.gz RXXIAXXPRXZYSL-OALUTQOASA-N 2 0 372.557 3.202 20 0 FGADRP Fc1ccc(CC[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)cc1F ZINC000506017004 503030010 /nfs/dbraw/zinc/03/00/10/503030010.db2.gz IGMQIILZICRHLI-UHFFFAOYSA-N 2 0 352.469 3.332 20 0 FGADRP CC[NH+](CC)Cc1ccccc1CNC(=O)NCC[N@@H+]1CCCC[C@H]1C ZINC000501546278 503034293 /nfs/dbraw/zinc/03/42/93/503034293.db2.gz NBENNHYAALMOGI-GOSISDBHSA-N 2 0 360.546 3.202 20 0 FGADRP [NH3+]CC[C@@H]1CCCCN1CC(=O)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000489904298 503061387 /nfs/dbraw/zinc/06/13/87/503061387.db2.gz CVAFTMBLDKFQOL-LBPRGKRZSA-N 2 0 361.820 3.083 20 0 FGADRP C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)N(CC[NH+](C)C)Cc2ccccc2)C1 ZINC000501718878 503066183 /nfs/dbraw/zinc/06/61/83/503066183.db2.gz PMUABDHJYVLCGQ-PMACEKPBSA-N 2 0 374.573 3.128 20 0 FGADRP CCC1(CNC(=O)[C@H](C(C)C)[NH+](C)C)CC[NH+](Cc2ccccc2)CC1 ZINC000514039255 503074155 /nfs/dbraw/zinc/07/41/55/503074155.db2.gz GLVHFXRTLKMGSS-FQEVSTJZSA-N 2 0 359.558 3.381 20 0 FGADRP C[N@@H+]1CCCC[C@@H]1CCC(=O)NC[C@@]1(C)CCC[NH+]1Cc1ccccc1 ZINC000506267026 503082540 /nfs/dbraw/zinc/08/25/40/503082540.db2.gz GPCUUEKVBVQQNS-IFMALSPDSA-N 2 0 357.542 3.422 20 0 FGADRP CC(C)[C@H](CNC(=O)N1CCCC12CC[NH+](C)CC2)[NH+]1CCC(C)CC1 ZINC000510345959 503095857 /nfs/dbraw/zinc/09/58/57/503095857.db2.gz IRFGPXREVRWVQC-IBGZPJMESA-N 2 0 364.578 3.013 20 0 FGADRP C[C@@H](NC(=O)NCCC[NH+]1CCCCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000498128757 503112549 /nfs/dbraw/zinc/11/25/49/503112549.db2.gz WHTPSLAJZYVFQB-TZIWHRDSSA-N 2 0 372.557 3.072 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)NC[C@H](C)[N@@H+]1CCC[C@@H](C)C1)c1ccco1 ZINC000514225769 503117957 /nfs/dbraw/zinc/11/79/57/503117957.db2.gz PKDSGGAYYRXHRM-FGTMMUONSA-N 2 0 364.534 3.082 20 0 FGADRP CCCC[NH+]1CCC(NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)CC1 ZINC000490167193 503121116 /nfs/dbraw/zinc/12/11/16/503121116.db2.gz GWVCZDAJVUUSNC-RXVVDRJESA-N 2 0 372.557 3.213 20 0 FGADRP C[C@H](C(=O)NCc1ccccc1)N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000506473323 503121955 /nfs/dbraw/zinc/12/19/55/503121955.db2.gz XZILLKZGVUCUCN-SFHLNBCPSA-N 2 0 357.542 3.278 20 0 FGADRP C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(CC(=O)NCCCc2ccccc2)C1 ZINC000506472751 503122106 /nfs/dbraw/zinc/12/21/06/503122106.db2.gz USSMJMOROVXYMF-UNMCSNQZSA-N 2 0 371.569 3.322 20 0 FGADRP CCCC[NH+]1CCC(NC(=O)NC[C@@H]([NH2+][C@@H](C)CC)c2ccco2)CC1 ZINC000490216228 503133148 /nfs/dbraw/zinc/13/31/48/503133148.db2.gz KHJVJMFCQDZNTB-FUHWJXTLSA-N 2 0 364.534 3.273 20 0 FGADRP O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)Nc1ccc2c(c1)C[NH2+]C2 ZINC000514588986 503142785 /nfs/dbraw/zinc/14/27/85/503142785.db2.gz GIAQLRBIUQIYBR-HXUWFJFHSA-N 2 0 350.466 3.248 20 0 FGADRP CC(C)[C@H]1CCC[C@@H](NC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)C1 ZINC000510580101 503148235 /nfs/dbraw/zinc/14/82/35/503148235.db2.gz QVCVVUWBUYSWAN-RBUKOAKNSA-N 2 0 354.583 3.116 20 0 FGADRP C[C@H](CCc1c(F)cccc1F)[NH2+]C1CCN(C2CC[NH+](C)CC2)CC1 ZINC000510739228 503182531 /nfs/dbraw/zinc/18/25/31/503182531.db2.gz XKKVQKYTYXJYLW-MRXNPFEDSA-N 2 0 365.512 3.434 20 0 FGADRP C[C@@H](NC(=O)[C@@H](C)[NH+]1CCC(Cc2ccccc2)CC1)C1=CC[N@H+](C)CC1 ZINC000510741728 503183880 /nfs/dbraw/zinc/18/38/80/503183880.db2.gz PCALGJSEZURHBV-RTBURBONSA-N 2 0 369.553 3.096 20 0 FGADRP CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)CC[N@@H+]2CCCC[C@@H]2C)c1 ZINC000490715456 503217294 /nfs/dbraw/zinc/21/72/94/503217294.db2.gz XBHYHGJLZHOAAI-KRWDZBQOSA-N 2 0 374.529 3.170 20 0 FGADRP C[C@H](CC[NH+]1CCC(C(=O)NCCC[NH+]2CCCC2)CC1)c1ccccc1 ZINC000514891319 503219814 /nfs/dbraw/zinc/21/98/14/503219814.db2.gz SHVJKJYJSCABQD-HXUWFJFHSA-N 2 0 371.569 3.494 20 0 FGADRP CC(C)[NH+]1CCC(C(=O)N[C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000490762100 503224303 /nfs/dbraw/zinc/22/43/03/503224303.db2.gz WWVPNSUGECKGTC-WIYYLYMNSA-N 2 0 357.542 3.134 20 0 FGADRP CCn1cc(C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)c2ccccc21 ZINC000502587448 503232684 /nfs/dbraw/zinc/23/26/84/503232684.db2.gz JMQDSKHWEMMWTQ-UHFFFAOYSA-N 2 0 358.530 3.007 20 0 FGADRP O=C(NCc1ccc2c[nH+]cn2c1)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000514999271 503246700 /nfs/dbraw/zinc/24/67/00/503246700.db2.gz DUFNLWVBFLPNDO-UHFFFAOYSA-N 2 0 369.513 3.132 20 0 FGADRP CC[NH+]1CCN(Cc2ccc(C[NH2+][C@@H]3CCC[C@H]3CCOC)cc2)CC1 ZINC000502706253 503255466 /nfs/dbraw/zinc/25/54/66/503255466.db2.gz FTWNWCPKWRHKHX-FCHUYYIVSA-N 2 0 359.558 3.119 20 0 FGADRP CCC[N@H+](CC)CCNC(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000502756839 503264822 /nfs/dbraw/zinc/26/48/22/503264822.db2.gz MQFYSYVLBUCGNN-UHFFFAOYSA-N 2 0 352.567 3.061 20 0 FGADRP C[C@H]1CC[N@H+](C)CCN1C(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000502839096 503284988 /nfs/dbraw/zinc/28/49/88/503284988.db2.gz MWAOSISFPJVSPH-IBGZPJMESA-N 2 0 372.557 3.298 20 0 FGADRP c1cnn(Cc2ccccc2C[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000515232751 503298660 /nfs/dbraw/zinc/29/86/60/503298660.db2.gz NJNCWRJQJCXYEE-JTHBVZDNSA-N 2 0 374.488 3.277 20 0 FGADRP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)N1CC[NH+](C)CC[C@H]1C ZINC000502911205 503305618 /nfs/dbraw/zinc/30/56/18/503305618.db2.gz GCGBXBWOKKGJBP-RBUKOAKNSA-N 2 0 372.557 3.297 20 0 FGADRP C[C@H]1C[C@@H](CCNC(=O)NCCC[NH+]2CCCC2)C[N@@H+]1Cc1ccccc1 ZINC000511437174 503321593 /nfs/dbraw/zinc/32/15/93/503321593.db2.gz IBQRUKRRIRCDOG-PZJWPPBQSA-N 2 0 372.557 3.072 20 0 FGADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@@H]2CC[NH+](Cc3ccccc3)[C@@H]2C)C1 ZINC000515395537 503330467 /nfs/dbraw/zinc/33/04/67/503330467.db2.gz OGBDEFFQOWVQQU-HLAWJBBLSA-N 2 0 372.557 3.023 20 0 FGADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)NC[C@H](C)C[NH+]1CCCC1)c1ccccc1 ZINC000503038355 503331541 /nfs/dbraw/zinc/33/15/41/503331541.db2.gz KMACFHGLWBKHNO-ZWKOTPCHSA-N 2 0 360.546 3.147 20 0 FGADRP CC1(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CCCCCC1 ZINC000511581164 503347627 /nfs/dbraw/zinc/34/76/27/503347627.db2.gz YCZMYGBVBFRYHZ-UHFFFAOYSA-N 2 0 358.530 3.070 20 0 FGADRP O=C(NC[C@@H](c1ccco1)N1CCCC1)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000511651709 503363321 /nfs/dbraw/zinc/36/33/21/503363321.db2.gz ZQNWPXAOGTWWTP-UXHICEINSA-N 2 0 367.493 3.197 20 0 FGADRP COc1ccccc1[C@H](CNC(=O)[C@H](C)[NH+]1[C@@H](C)CC[C@@H]1C)[NH+]1CCCC1 ZINC000507945149 503401471 /nfs/dbraw/zinc/40/14/71/503401471.db2.gz PDSMUDCPCQUCQV-JPLJXNOCSA-N 2 0 373.541 3.210 20 0 FGADRP O[C@H]1CC[N@H+](Cc2ccccc2C[NH2+]C/C=C/c2ccc(F)c(F)c2)C1 ZINC000511929253 503417747 /nfs/dbraw/zinc/41/77/47/503417747.db2.gz ZJPSEACYZWIMKX-RTLBZRNLSA-N 2 0 358.432 3.334 20 0 FGADRP C[C@@H]1CC[N@H+](C)CCN1C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000493409878 503425962 /nfs/dbraw/zinc/42/59/62/503425962.db2.gz CPIDDQXQHALFBQ-GOSISDBHSA-N 2 0 358.530 3.273 20 0 FGADRP CCc1ccc(CNc2ccc3[nH]c(CCN4CCOCC4)[nH+]c3c2)cn1 ZINC000512029669 503437837 /nfs/dbraw/zinc/43/78/37/503437837.db2.gz DANXMNMPXXXYOS-UHFFFAOYSA-N 2 0 365.481 3.007 20 0 FGADRP C[C@@H](NCc1ncc(CN(C)C)s1)c1cnn(Cc2ccccc2)c1 ZINC000512056976 503445875 /nfs/dbraw/zinc/44/58/75/503445875.db2.gz IQSJWFHHSHJUNH-OAHLLOKOSA-N 2 0 355.511 3.300 20 0 FGADRP C[NH+](C)CCOc1ccc(CC[NH2+][C@H]2[C@H]3CCO[C@H]3C23CCCC3)cc1 ZINC000493851878 503449956 /nfs/dbraw/zinc/44/99/56/503449956.db2.gz XKYIRLZBWDNZIR-QHAWAJNXSA-N 2 0 358.526 3.107 20 0 FGADRP CC[NH+](CC)Cc1cccc(CNC(=O)N[C@H](C)C[N@@H+]2CCC[C@H](C)C2)c1 ZINC000516244464 503479194 /nfs/dbraw/zinc/47/91/94/503479194.db2.gz SSOKGGIMVGEMEX-RBUKOAKNSA-N 2 0 374.573 3.448 20 0 FGADRP C[C@@H]1[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000494068576 503482747 /nfs/dbraw/zinc/48/27/47/503482747.db2.gz IPQMOTRXIDFPPZ-QUCCMNQESA-N 2 0 357.542 3.278 20 0 FGADRP C[C@@H](NC(=O)[C@@H](C)[NH+]1CCC(CC[NH3+])CC1)c1ccc2ccccc2c1 ZINC000516479704 503517426 /nfs/dbraw/zinc/51/74/26/503517426.db2.gz ULWYRZROQNWVCE-IAGOWNOFSA-N 2 0 353.510 3.466 20 0 FGADRP C[NH+](C)CC1(C(=O)NCc2cccc(C[NH+]3CCCC3)c2)CCCCC1 ZINC000494304291 503523414 /nfs/dbraw/zinc/52/34/14/503523414.db2.gz SATDFMYJERWITN-UHFFFAOYSA-N 2 0 357.542 3.411 20 0 FGADRP C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000516537130 503529671 /nfs/dbraw/zinc/52/96/71/503529671.db2.gz PGEFGHQWKIMWOF-IBGZPJMESA-N 2 0 364.578 3.203 20 0 FGADRP COc1ccccc1[C@H](CNC(=O)Nc1ccnc(C)c1)[NH+]1CCCCC1 ZINC000504150575 503530909 /nfs/dbraw/zinc/53/09/09/503530909.db2.gz ZSAFEMFZPJDUED-IBGZPJMESA-N 2 0 368.481 3.169 20 0 FGADRP Cc1ccccc1[C@H]([C@@H](C)NC(=O)Nc1ccc2c(c1)C[NH2+]C2)[NH+](C)C ZINC000516552864 503534270 /nfs/dbraw/zinc/53/42/70/503534270.db2.gz UQCVUBZGMVMEGO-QRWLVFNGSA-N 2 0 352.482 3.411 20 0 FGADRP C[C@@H]1C[C@@H](CCNC(=O)N2CC[N@H+](C)CC[C@@H]2C)C[NH+]1Cc1ccccc1 ZINC000512422847 503545545 /nfs/dbraw/zinc/54/55/45/503545545.db2.gz BEGCAIAJHJZCPF-QKNQBKEWSA-N 2 0 372.557 3.023 20 0 FGADRP C[C@@H](Nc1ccc(N2CCOCC2)nc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508700189 503545861 /nfs/dbraw/zinc/54/58/61/503545861.db2.gz SHVUAJOZNOQXIK-QUCCMNQESA-N 2 0 366.509 3.241 20 0 FGADRP CCCc1cc(C(=O)Nc2c[nH+]ccc2N2CCN(C)CC2)sc1C ZINC000516625031 503554183 /nfs/dbraw/zinc/55/41/83/503554183.db2.gz PNJYYHTYQZBFDG-UHFFFAOYSA-N 2 0 358.511 3.408 20 0 FGADRP Cc1cccc(CSCC(=O)Nc2c[nH+]ccc2N2CCN(C)CC2)c1 ZINC000516624083 503554212 /nfs/dbraw/zinc/55/42/12/503554212.db2.gz IKSRSGWNUWMSOX-UHFFFAOYSA-N 2 0 370.522 3.014 20 0 FGADRP Cc1ccccc1[C@@H]([C@@H](C)NC(=O)NC1CCC(C[NH+](C)C)CC1)[NH+](C)C ZINC000500130646 503561661 /nfs/dbraw/zinc/56/16/61/503561661.db2.gz KSEYJUOXYLWTNU-YXUAKONQSA-N 2 0 374.573 3.406 20 0 FGADRP CC[NH+](CC)Cc1cccc(CNC(=O)NC[C@H](C)[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000500134109 503562210 /nfs/dbraw/zinc/56/22/10/503562210.db2.gz RECUHPKXAOAEPT-MOPGFXCFSA-N 2 0 374.573 3.448 20 0 FGADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N1CCC[NH+](Cc2ccccc2)CC1 ZINC000516689230 503569852 /nfs/dbraw/zinc/56/98/52/503569852.db2.gz SBNPLMSDPSUKCB-UXHICEINSA-N 2 0 372.557 3.024 20 0 FGADRP CC(C)[NH+](CCN(C)C(=O)NCc1ccc(C[NH+](C)C)c(F)c1)C(C)C ZINC000504427865 503572994 /nfs/dbraw/zinc/57/29/94/503572994.db2.gz VBKNSQWOPJNBHV-UHFFFAOYSA-N 2 0 366.525 3.148 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@H](C)[C@@H](c2ccccc2)[NH+](C)C)C[C@@H]1C ZINC000508849430 503576685 /nfs/dbraw/zinc/57/66/85/503576685.db2.gz BTTUVBLZRJOGQG-HNJRGHQBSA-N 2 0 360.546 3.192 20 0 FGADRP C[N@H+](CCOc1ccccc1Br)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000512560246 503583893 /nfs/dbraw/zinc/58/38/93/503583893.db2.gz CSFSQEYOAUQAPJ-YIONKMFJSA-N 2 0 353.304 3.385 20 0 FGADRP CC(C)[C@@H]([NH3+])C(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000494672576 503589743 /nfs/dbraw/zinc/58/97/43/503589743.db2.gz ZZNXWGJCRLANFH-OIISXLGYSA-N 2 0 371.447 3.188 20 0 FGADRP Cc1ccccc1[C@H]([C@@H](C)NC(=O)N1CCC(CC[NH+](C)C)CC1)[NH+](C)C ZINC000508898123 503593250 /nfs/dbraw/zinc/59/32/50/503593250.db2.gz KLOJCLRDLPNJBV-NQIIRXRSSA-N 2 0 374.573 3.360 20 0 FGADRP Cc1ccccc1[C@H]([C@@H](C)NC(=O)N1CCC[C@@H]1C[NH+]1CCCC1)[NH+](C)C ZINC000508899185 503594231 /nfs/dbraw/zinc/59/42/31/503594231.db2.gz OAMCJBNROYZAHY-SBHAEUEKSA-N 2 0 372.557 3.256 20 0 FGADRP CCN(CCC[NH+]1CCCC1)C(=O)N[C@@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC000508905450 503596304 /nfs/dbraw/zinc/59/63/04/503596304.db2.gz KXSAPUOXNAFUGD-ICSRJNTNSA-N 2 0 360.546 3.195 20 0 FGADRP C[C@H](CNC(=O)C1CC[NH+](Cc2ccccc2)CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000516845117 503598145 /nfs/dbraw/zinc/59/81/45/503598145.db2.gz HXZWZRULYHDNTP-RTBURBONSA-N 2 0 357.542 3.135 20 0 FGADRP C[C@](O)(C[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)C(F)(F)F ZINC000512631627 503599985 /nfs/dbraw/zinc/59/99/85/503599985.db2.gz RYQPBLOTBFCCRQ-XDNAFOTISA-N 2 0 356.432 3.190 20 0 FGADRP O=C1CCCCN1CCC[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000512654076 503603569 /nfs/dbraw/zinc/60/35/69/503603569.db2.gz JCFCNSNEWXKXNJ-FDFHNCONSA-N 2 0 369.553 3.279 20 0 FGADRP CCc1ccc([C@H](CNC(=O)N2CCC[C@H](C[NH3+])C2)[NH+](CC)CC)cc1 ZINC000516916966 503617743 /nfs/dbraw/zinc/61/77/43/503617743.db2.gz PZWOLSGUJJFMEL-QUCCMNQESA-N 2 0 360.546 3.012 20 0 FGADRP CC[NH+]1CCN([C@H](C)C[NH2+]C[C@H](C)c2ccc(C(F)(F)F)cc2)CC1 ZINC000517202632 503671993 /nfs/dbraw/zinc/67/19/93/503671993.db2.gz PFGLSMBLZPWUPZ-JKSUJKDBSA-N 2 0 357.464 3.425 20 0 FGADRP C[NH+](C)CCOC1CC[NH+](Cc2ccccc2OCc2ccncc2)CC1 ZINC000536675964 503675001 /nfs/dbraw/zinc/67/50/01/503675001.db2.gz GEAWVSMKIZMODC-UHFFFAOYSA-N 2 0 369.509 3.203 20 0 FGADRP Cc1nn(Cc2ccccc2)c(C)c1C[NH+]1CCC(OCC[NH+](C)C)CC1 ZINC000536675242 503675132 /nfs/dbraw/zinc/67/51/32/503675132.db2.gz HKLWCJHNWMNEGU-UHFFFAOYSA-N 2 0 370.541 3.091 20 0 FGADRP [NH3+]CCC1CCN(C(=O)[C@H]2CCn3c(cnc3C3CCCCC3)C2)CC1 ZINC000517243503 503691192 /nfs/dbraw/zinc/69/11/92/503691192.db2.gz ORIRNSUDNAQEMG-SFHVURJKSA-N 2 0 358.530 3.081 20 0 FGADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000517491451 503756411 /nfs/dbraw/zinc/75/64/11/503756411.db2.gz KZSJSRYBBHTCHW-QZTJIDSGSA-N 2 0 366.575 3.305 20 0 FGADRP C[C@@H]1CC[C@H]([NH2+]Cc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)[C@H](C)C1 ZINC000543405469 503757439 /nfs/dbraw/zinc/75/74/39/503757439.db2.gz XINKYULUWROKSN-DGQTTZFYSA-N 2 0 357.542 3.298 20 0 FGADRP CC(C)[C@H](C[NH2+][C@H](c1ccc(F)cc1)c1cccnc1)N1CC[NH+](C)CC1 ZINC000543410971 503759745 /nfs/dbraw/zinc/75/97/45/503759745.db2.gz CAGFCJBRZPWWJX-FCHUYYIVSA-N 2 0 370.516 3.172 20 0 FGADRP C[C@H](CC[N@@H+]1CC[C@H](C(C)(C)C)[C@H](O)C1)[NH+]1CC[C@@H](C(C)(C)C)[C@H](O)C1 ZINC000543478267 503788149 /nfs/dbraw/zinc/78/81/49/503788149.db2.gz OMIJRRHNRVCPSG-USYVTKNRSA-N 2 0 368.606 3.223 20 0 FGADRP C[NH+](C)CCCCC(=O)Nc1ccccc1N1CCC(C[NH+](C)C)CC1 ZINC000517644581 503794852 /nfs/dbraw/zinc/79/48/52/503794852.db2.gz QZTSNNRXUQCDDO-UHFFFAOYSA-N 2 0 360.546 3.135 20 0 FGADRP C[C@H]1C[N@H+](CCOc2ccc(CC[NH2+][C@@H]3CCCOCC3)cc2)C[C@H]1C ZINC000546606316 503805630 /nfs/dbraw/zinc/80/56/30/503805630.db2.gz WSOJMKNHJXKCEB-SVFBPWRDSA-N 2 0 360.542 3.354 20 0 FGADRP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@@H+](C(C)C)C2CCC2)CC1 ZINC000533394579 503829570 /nfs/dbraw/zinc/82/95/70/503829570.db2.gz GFVIADAZLSVXKQ-UHFFFAOYSA-N 2 0 357.542 3.292 20 0 FGADRP NC(=O)[C@H]1CCC[N@H+](CCC[NH2+][C@@H](c2ccccc2)C2CCCCC2)C1 ZINC000537194839 503836629 /nfs/dbraw/zinc/83/66/29/503836629.db2.gz LBBTZHRRCPBFMO-SFTDATJTSA-N 2 0 357.542 3.485 20 0 FGADRP CCC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N(C)C1CC[NH+](C)CC1 ZINC000527636233 503868646 /nfs/dbraw/zinc/86/86/46/503868646.db2.gz ROJXUIRHZRZCGJ-TZIWHRDSSA-N 2 0 357.542 3.087 20 0 FGADRP Clc1cnccc1C[NH2+]CCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000527637095 503869455 /nfs/dbraw/zinc/86/94/55/503869455.db2.gz HXQPBBZFWXOJJY-UHFFFAOYSA-N 2 0 358.917 3.033 20 0 FGADRP Fc1cccc(Cl)c1CN1CCC([NH2+][C@H]2CC[NH2+]C23CCC3)CC1 ZINC000530221293 503881800 /nfs/dbraw/zinc/88/18/00/503881800.db2.gz PHHWCFYPTPHDLP-SFHVURJKSA-N 2 0 351.897 3.318 20 0 FGADRP Cc1ccc2c(C[NH+]3CCC(CO[C@@H]4CC[NH2+]C4)CC3)cc(=O)oc2c1C ZINC000530240138 503889707 /nfs/dbraw/zinc/88/97/07/503889707.db2.gz KWKLJMBNVAXGFX-LJQANCHMSA-N 2 0 370.493 3.000 20 0 FGADRP Clc1cc2cccnc2c(C[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)c1 ZINC000530239993 503889757 /nfs/dbraw/zinc/88/97/57/503889757.db2.gz JAORFLPLLCBVFT-LJQANCHMSA-N 2 0 359.901 3.479 20 0 FGADRP Cc1ccccc1-c1cnc(C[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)o1 ZINC000530241824 503891170 /nfs/dbraw/zinc/89/11/70/503891170.db2.gz SBWXXLXGLNMKRG-SFHVURJKSA-N 2 0 355.482 3.241 20 0 FGADRP c1sc(-c2ccccc2)nc1C[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530242327 503891298 /nfs/dbraw/zinc/89/12/98/503891298.db2.gz STLJXCFYVGSLAV-LJQANCHMSA-N 2 0 357.523 3.401 20 0 FGADRP CC[C@H]([NH2+][C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C)c1ccccc1 ZINC000540788802 503893085 /nfs/dbraw/zinc/89/30/85/503893085.db2.gz LSXJJUTWDTYOST-SFTDATJTSA-N 2 0 353.510 3.016 20 0 FGADRP CN(CCC[NH+]1CCCC1)C(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000537400272 503902471 /nfs/dbraw/zinc/90/24/71/503902471.db2.gz RBWNWMIQVKWGPD-UHFFFAOYSA-N 2 0 364.578 3.303 20 0 FGADRP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+]C[C@@H](O)COc2ccc(Cl)cc2)C1 ZINC000518361710 503963179 /nfs/dbraw/zinc/96/31/79/503963179.db2.gz DQNWFWOEXQLFQC-FUHWJXTLSA-N 2 0 354.922 3.037 20 0 FGADRP CC[N@H+](C)[C@H](C(=O)NC[C@H](C)[NH+](C)Cc1ccccc1)c1ccccc1 ZINC000518438132 503983680 /nfs/dbraw/zinc/98/36/80/503983680.db2.gz MIUVVHNKIMBMAG-RXVVDRJESA-N 2 0 353.510 3.316 20 0 FGADRP CC(C)[NH+](CCCNC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1)C(C)C ZINC000533913237 503987290 /nfs/dbraw/zinc/98/72/90/503987290.db2.gz OEDDBIOVDNVPBP-PMACEKPBSA-N 2 0 360.546 3.240 20 0 FGADRP CC(C)[NH+]1CCC(N2CC[NH+](C[C@@H]3CCc4ccccc4C3)CC2)CC1 ZINC000541059471 503990236 /nfs/dbraw/zinc/99/02/36/503990236.db2.gz IZKVACJZQHIBJE-HXUWFJFHSA-N 2 0 355.570 3.282 20 0 FGADRP C[N@@H+](CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)C[C@@H]1CC=CCC1 ZINC000544112241 504011877 /nfs/dbraw/zinc/01/18/77/504011877.db2.gz WOHDSTGSUOOMJV-HXUWFJFHSA-N 2 0 355.526 3.187 20 0 FGADRP C[C@@H]1C[N@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)[C@@H]2CCCC[C@@H]21 ZINC000541112258 504012208 /nfs/dbraw/zinc/01/22/08/504012208.db2.gz XXQGPLSPYZDHIP-STZQEDGTSA-N 2 0 369.553 3.409 20 0 FGADRP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(OC)c3oc(C(=O)OC)cc32)C1 ZINC000530664980 504045428 /nfs/dbraw/zinc/04/54/28/504045428.db2.gz WNEPMEBTHCBEGZ-CQSZACIVSA-N 2 0 360.454 3.050 20 0 FGADRP CC[NH+]1CCC(CNC(=O)[C@@H]2CCCN2Cc2ccc(Cl)cc2)CC1 ZINC000528165294 504100537 /nfs/dbraw/zinc/10/05/37/504100537.db2.gz BXRIBIUSKOABEZ-IBGZPJMESA-N 2 0 363.933 3.153 20 0 FGADRP C[C@H]1CCCC[N@@H+]1CCNC(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000530840631 504103130 /nfs/dbraw/zinc/10/31/30/504103130.db2.gz BHUCVKBVCFMMSE-YJBOKZPZSA-N 2 0 366.937 3.116 20 0 FGADRP C[C@H](CCNC(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1)[NH+]1CCCCC1 ZINC000541441516 504131516 /nfs/dbraw/zinc/13/15/16/504131516.db2.gz FYXJNEWPLGXJJF-QZTJIDSGSA-N 2 0 352.567 3.061 20 0 FGADRP CC(C)[C@H]([NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1ccc(Cl)cc1 ZINC000538098194 504132828 /nfs/dbraw/zinc/13/28/28/504132828.db2.gz CODQWDGUCRWJJF-WMZOPIPTSA-N 2 0 351.922 3.214 20 0 FGADRP CC[NH+](CC)C[C@H](C)NC(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000519082125 504134700 /nfs/dbraw/zinc/13/47/00/504134700.db2.gz NAXGXHXARSUUCQ-SFHVURJKSA-N 2 0 352.567 3.205 20 0 FGADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000528285435 504147242 /nfs/dbraw/zinc/14/72/42/504147242.db2.gz JCXHYIJCWKSVEY-NRFANRHFSA-N 2 0 372.557 3.297 20 0 FGADRP CC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCCN2Cc2ccc(Cl)cc2)C1 ZINC000528307779 504160945 /nfs/dbraw/zinc/16/09/45/504160945.db2.gz PAQNYAOYSFJIAZ-IEBWSBKVSA-N 2 0 363.933 3.153 20 0 FGADRP CO[C@@H]1CC[N@H+](Cc2cncc(C[NH+]3CC[C@H](OC)C[C@H]3C)c2)[C@H](C)C1 ZINC000519311729 504189175 /nfs/dbraw/zinc/18/91/75/504189175.db2.gz NQNJYZFSBGGCQI-DGQTTZFYSA-N 2 0 361.530 3.080 20 0 FGADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)N2CC[C@H]([NH+]3CCCCC3)C2)C1 ZINC000519356825 504200939 /nfs/dbraw/zinc/20/09/39/504200939.db2.gz XEBSXIABUMKZFM-NRSPTQNISA-N 2 0 370.541 3.092 20 0 FGADRP CC1CC[NH+](Cc2ccc(CNC(=O)C34CCC[NH+]3CCC4)cc2)CC1 ZINC000547754641 504212969 /nfs/dbraw/zinc/21/29/69/504212969.db2.gz OFZGSCIULREZCF-UHFFFAOYSA-N 2 0 355.526 3.163 20 0 FGADRP CCC[N@@H+]1CC[C@@H](CNC(=O)N2CC[NH+](Cc3ccccc3)[C@@H](CC)C2)C1 ZINC000544681344 504215392 /nfs/dbraw/zinc/21/53/92/504215392.db2.gz XCLXEGDFEKBNKA-SFTDATJTSA-N 2 0 372.557 3.024 20 0 FGADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@H]2CCOC3(CCOCC3)C2)CC1 ZINC000519443226 504221561 /nfs/dbraw/zinc/22/15/61/504221561.db2.gz IAZFRTLVBWJQET-HOJAQTOUSA-N 2 0 350.547 3.347 20 0 FGADRP CC(C)CO[C@@H]1C[C@@H]([NH2+]CC2(N3CCCCC3)CC[NH+](C)CC2)C1(C)C ZINC000538394175 504233376 /nfs/dbraw/zinc/23/33/76/504233376.db2.gz QALOGUUPVLDUSP-WOJBJXKFSA-N 2 0 365.606 3.366 20 0 FGADRP C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)N3CCC(CC[NH3+])CC3)cc2)C1 ZINC000519536792 504244756 /nfs/dbraw/zinc/24/47/56/504244756.db2.gz AMDJOWARZATZLA-GOSISDBHSA-N 2 0 372.557 3.189 20 0 FGADRP CC[NH+]1CCC(N2CCC[N@H+](C[C@@H](OC)c3ccc(F)cc3)CC2)CC1 ZINC000528526549 504261352 /nfs/dbraw/zinc/26/13/52/504261352.db2.gz JSRXFZPXABWCNA-OAQYLSRUSA-N 2 0 363.521 3.005 20 0 FGADRP CC(C)[N@@H+]1CCCN(C(=O)NC[C@H](c2ccc(Cl)cc2)[NH+](C)C)CC1 ZINC000531318066 504264494 /nfs/dbraw/zinc/26/44/94/504264494.db2.gz GFYFNAOWDHBHLR-GOSISDBHSA-N 2 0 366.937 3.068 20 0 FGADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H](O)COc2cccc(C(F)(F)F)c2)C[C@@H]1C ZINC000531379067 504284741 /nfs/dbraw/zinc/28/47/41/504284741.db2.gz VFCYVKALKVGNOG-XIRDDKMYSA-N 2 0 374.447 3.250 20 0 FGADRP CC[N@H+](CCC1CC1)CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000544896137 504293341 /nfs/dbraw/zinc/29/33/41/504293341.db2.gz KZRWGJPRXNRIBT-UHFFFAOYSA-N 2 0 361.555 3.296 20 0 FGADRP Cc1cccc([C@@H](C)[NH2+][C@@H](Cc2ccccc2)C(=O)NCC[NH+](C)C)c1C ZINC000538586736 504294064 /nfs/dbraw/zinc/29/40/64/504294064.db2.gz AGWXGAVUKWQOAV-KNQAVFIVSA-N 2 0 367.537 3.243 20 0 FGADRP CC[C@@H](C)NC(=O)[C@H](C)[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000534963652 504295267 /nfs/dbraw/zinc/29/52/67/504295267.db2.gz HJBXEFYZXFJICY-MOPGFXCFSA-N 2 0 357.542 3.278 20 0 FGADRP CC[C@@H]1C[C@H](C)CC[C@@H]1[NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000538759622 504360081 /nfs/dbraw/zinc/36/00/81/504360081.db2.gz LPLUCEGCSCIDFH-AQNXPRMDSA-N 2 0 359.562 3.183 20 0 FGADRP C[C@H]1O[C@@H](C)[C@H](C)[C@H]1[NH2+]Cc1cccc(C[NH2+][C@@H]2[C@H](C)O[C@H](C)[C@H]2C)c1 ZINC000528770051 504372248 /nfs/dbraw/zinc/37/22/48/504372248.db2.gz YUZQTTQTHCFWJU-TXHYJNHTSA-N 2 0 360.542 3.490 20 0 FGADRP CC[NH+](CC)[C@H](C(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C)c1ccccc1 ZINC000535262921 504386752 /nfs/dbraw/zinc/38/67/52/504386752.db2.gz YPHVEADZGLQHKG-YADHBBJMSA-N 2 0 367.537 3.359 20 0 FGADRP C[NH+]1CCN(c2cc(C[NH2+][C@@H](CC3CC3)c3ccccc3)ccn2)CC1 ZINC000531682380 504392260 /nfs/dbraw/zinc/39/22/60/504392260.db2.gz PKFPSZKQGBJAJF-NRFANRHFSA-N 2 0 350.510 3.464 20 0 FGADRP C[C@@H]1C[NH+](CC2CC[NH+](CCc3cccc(F)c3F)CC2)C[C@@H](C)O1 ZINC000542276930 504435382 /nfs/dbraw/zinc/43/53/82/504435382.db2.gz DJOWTTPOAPDNMZ-HZPDHXFCSA-N 2 0 352.469 3.329 20 0 FGADRP Cc1ccc(-c2n[nH]cc2C[NH2+]CCc2ccc(OCC[NH+](C)C)cc2)o1 ZINC000520215209 504436902 /nfs/dbraw/zinc/43/69/02/504436902.db2.gz OZPBZUHNZROYTB-UHFFFAOYSA-N 2 0 368.481 3.251 20 0 FGADRP CC[N@H+](CCC1CC[NH+](CCn2c(C)csc2=O)CC1)CC(C)C ZINC000539099261 504471477 /nfs/dbraw/zinc/47/14/77/504471477.db2.gz VTZOCDRYGARQDS-UHFFFAOYSA-N 2 0 353.576 3.298 20 0 FGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(Cn3ccnc3)cc2)[C@@H](C)C1 ZINC000531937454 504480656 /nfs/dbraw/zinc/48/06/56/504480656.db2.gz ASLGLAXJORVKID-SIKLNZKXSA-N 2 0 370.541 3.158 20 0 FGADRP C[C@H]([NH2+]CCn1cnc2ccccc21)c1cccc(OCC[NH+](C)C)c1 ZINC000531952479 504485198 /nfs/dbraw/zinc/48/51/98/504485198.db2.gz IUNAJPQUJGQPML-KRWDZBQOSA-N 2 0 352.482 3.328 20 0 FGADRP C[NH+]1CCC(C)(CNC(=O)[C@@H]2CCCN2Cc2ccc(Cl)cc2)CC1 ZINC000528990723 504485688 /nfs/dbraw/zinc/48/56/88/504485688.db2.gz FIYCEUBMTPKDSB-SFHVURJKSA-N 2 0 363.933 3.153 20 0 FGADRP CCO[C@@H]1C[C@H]([NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3C)CC2)[C@]12CCCO2 ZINC000545458289 504493878 /nfs/dbraw/zinc/49/38/78/504493878.db2.gz ZGDQAMFUIXMBGK-QNDFHXLGSA-N 2 0 350.547 3.346 20 0 FGADRP Cc1ccccc1[C@H](CN1CCOCC1)NC[C@@H](C)C[NH+]1CCCCC1 ZINC000542478734 504506671 /nfs/dbraw/zinc/50/66/71/504506671.db2.gz OWXHLDUTDAEUMA-KNQAVFIVSA-N 2 0 359.558 3.080 20 0 FGADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]C[C@@]1(O)CCC[C@@H](C(F)(F)F)C1 ZINC000548691547 504529618 /nfs/dbraw/zinc/52/96/18/504529618.db2.gz OWJUWEJWEBYCPR-NVXWUHKLSA-N 2 0 368.403 3.149 20 0 FGADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)N[C@@H]2CC[NH+]([C@H](C)c3ccccc3)C2)C1 ZINC000520578419 504534068 /nfs/dbraw/zinc/53/40/68/504534068.db2.gz KJLVJHUWOGXTMC-SFHLNBCPSA-N 2 0 372.557 3.242 20 0 FGADRP CCC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N1CCC[C@H]([NH+](C)C)CC1 ZINC000529164375 504561632 /nfs/dbraw/zinc/56/16/32/504561632.db2.gz ALOQKFAAZNAGDQ-BHIFYINESA-N 2 0 371.569 3.477 20 0 FGADRP C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000532191751 504568815 /nfs/dbraw/zinc/56/88/15/504568815.db2.gz QDIYQXNIIKZQRX-AYOQOUSVSA-N 2 0 363.933 3.293 20 0 FGADRP CC[NH+](CC)Cc1ccccc1C[NH2+]C1CCN(c2cnccn2)CC1 ZINC000532201869 504570616 /nfs/dbraw/zinc/57/06/16/504570616.db2.gz MHIJWFKWSPDKDW-UHFFFAOYSA-N 2 0 353.514 3.077 20 0 FGADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)NCC[NH+]2[C@H](C)CCC[C@@H]2C)C1 ZINC000520756749 504574897 /nfs/dbraw/zinc/57/48/97/504574897.db2.gz VZSHJEQIUHWRMN-RCLSDMTESA-N 2 0 372.557 3.384 20 0 FGADRP C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@@H](C)CC[NH+](C)C ZINC000532218684 504576514 /nfs/dbraw/zinc/57/65/14/504576514.db2.gz JKZQOIIHUCBIFA-QWHCGFSZSA-N 2 0 356.308 3.096 20 0 FGADRP CC[NH+](CC)CC1CC[NH+]([C@H](C)C(=O)N[C@@H](C)c2ccc(F)cc2)CC1 ZINC000520792559 504582771 /nfs/dbraw/zinc/58/27/71/504582771.db2.gz ZWHYOXSXCNCUIT-DLBZAZTESA-N 2 0 363.521 3.445 20 0 FGADRP C[C@@H](CNC(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1)[NH+]1CCC(C)CC1 ZINC000520877054 504601042 /nfs/dbraw/zinc/60/10/42/504601042.db2.gz HUKQGJLROPCPDJ-FPOVZHCZSA-N 2 0 372.557 3.071 20 0 FGADRP C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N[C@@H]2CC[NH2+]C23CCC3)C1 ZINC000529290689 504621517 /nfs/dbraw/zinc/62/15/17/504621517.db2.gz VHXZWLIWWGVHLN-FXAWDEMLSA-N 2 0 370.541 3.002 20 0 FGADRP CC1CC[NH+](CC(=O)NCc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)CC1 ZINC000532388127 504632774 /nfs/dbraw/zinc/63/27/74/504632774.db2.gz ILSKEVQUYZEXEB-LJQANCHMSA-N 2 0 357.542 3.267 20 0 FGADRP CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)N2CCC(C[N@@H+](C)C(C)C)CC2)c1C ZINC000532536676 504686200 /nfs/dbraw/zinc/68/62/00/504686200.db2.gz HPYKAFPCACLRKH-MRXNPFEDSA-N 2 0 361.530 3.458 20 0 FGADRP C[N@@H+]1CCC[C@@H](CCNC(=O)[C@H]2CCCN2Cc2ccc(Cl)cc2)C1 ZINC000529484351 504694470 /nfs/dbraw/zinc/69/44/70/504694470.db2.gz WSHDOCJEMHWCIG-QFBILLFUSA-N 2 0 363.933 3.153 20 0 FGADRP C[NH+](C)CCCC1CC[NH+](Cc2c[nH]nc2-c2ccc3c(c2)OCO3)CC1 ZINC000539852165 504718521 /nfs/dbraw/zinc/71/85/21/504718521.db2.gz GNXBMYHKPMFRFW-UHFFFAOYSA-N 2 0 370.497 3.359 20 0 FGADRP C[C@H]([NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1)c1ccccc1N(C)C ZINC000539857523 504719838 /nfs/dbraw/zinc/71/98/38/504719838.db2.gz IAWPDNZVIYXXLH-IBGZPJMESA-N 2 0 367.541 3.011 20 0 FGADRP COc1cc(C[N@H+](C)CCN(C)C2CC[NH+](C)CC2)cc(C(F)(F)F)c1 ZINC000529565919 504730095 /nfs/dbraw/zinc/73/00/95/504730095.db2.gz MJVZKISNMAVBCG-UHFFFAOYSA-N 2 0 373.463 3.172 20 0 FGADRP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000521589365 504761293 /nfs/dbraw/zinc/76/12/93/504761293.db2.gz YUVXGPCPCCZGIB-KDURUIRLSA-N 2 0 357.542 3.007 20 0 FGADRP CC[NH+](CC)C[C@H](C)NC(=O)N(CC[NH+](C)C)Cc1cccc(Cl)c1 ZINC000521602948 504763163 /nfs/dbraw/zinc/76/31/63/504763163.db2.gz KVESLDJYBUWUMA-INIZCTEOSA-N 2 0 368.953 3.144 20 0 FGADRP Cn1ccnc1[C@@H]1CC[N@H+](C[C@@H](O)Cn2c3ccccc3c3ccccc32)C1 ZINC000565154337 504809329 /nfs/dbraw/zinc/80/93/29/504809329.db2.gz APYMPMZREHIDQE-QZTJIDSGSA-N 2 0 374.488 3.378 20 0 FGADRP O=C(CC[NH2+]C1CCN(Cc2ccncc2)CC1)Nc1cccc(Cl)c1 ZINC000562449778 504824176 /nfs/dbraw/zinc/82/41/76/504824176.db2.gz DZNCCWQQNBHQDQ-UHFFFAOYSA-N 2 0 372.900 3.318 20 0 FGADRP C[N@@H+]1CCC[C@]2(CCN(CC(=O)NCC3(c4ccccc4)CCCC3)C2)C1 ZINC000559310855 504828018 /nfs/dbraw/zinc/82/80/18/504828018.db2.gz FHNROFQJIDITHK-QFIPXVFZSA-N 2 0 369.553 3.032 20 0 FGADRP CC[C@H](C(=O)N1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)[N@H+](C)Cc1ccccc1 ZINC000559337341 504839500 /nfs/dbraw/zinc/83/95/00/504839500.db2.gz UCHXLMJCQHVXHR-KSEOMHKRSA-N 2 0 369.553 3.372 20 0 FGADRP COc1cc(C[N@@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)cc2ccccc21 ZINC000562649619 504894847 /nfs/dbraw/zinc/89/48/47/504894847.db2.gz NITNMLGETRVGAR-OAQYLSRUSA-N 2 0 367.537 3.449 20 0 FGADRP C[C@@H]([NH3+])CCC(=O)N1CCC([N@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000565480107 504900116 /nfs/dbraw/zinc/90/01/16/504900116.db2.gz UAZQLKYXKNMVIB-CQSZACIVSA-N 2 0 371.447 3.256 20 0 FGADRP Cn1cc(-c2ccc(C[NH+]3CCC(CC[NH+]4CCOCC4)CC3)s2)cn1 ZINC000549802376 504901850 /nfs/dbraw/zinc/90/18/50/504901850.db2.gz NNKXHYGPKMYLEZ-UHFFFAOYSA-N 2 0 374.554 3.083 20 0 FGADRP C[N@H+](C[C@H](O)Cc1ccc(F)cc1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000549861087 504920073 /nfs/dbraw/zinc/92/00/73/504920073.db2.gz XVDZJTRVHIIYFM-IFMALSPDSA-N 2 0 356.485 3.183 20 0 FGADRP C[NH+](C)[C@H]1CCc2cc(NC(=O)N3C[C@@H](c4ccccc4)[C@H]([NH3+])C3)ccc21 ZINC000562765988 504937628 /nfs/dbraw/zinc/93/76/28/504937628.db2.gz SKHXZIFVELINFO-HBMCJLEFSA-N 2 0 364.493 3.194 20 0 FGADRP Cc1nc2cc(NC(=O)CC[N@@H+]3CCCC[C@@H]3C)ccc2n1[C@@H](C)CO ZINC000556686528 504940865 /nfs/dbraw/zinc/94/08/65/504940865.db2.gz AWXNOHRNMOAFCC-GJZGRUSLSA-N 2 0 358.486 3.101 20 0 FGADRP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)NCc2ccccc2C[NH+]2CCC(C)CC2)C1 ZINC000562814196 504955021 /nfs/dbraw/zinc/95/50/21/504955021.db2.gz SLSFZPVDCCEFEH-AZUAARDMSA-N 2 0 372.557 3.187 20 0 FGADRP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000562818920 504956280 /nfs/dbraw/zinc/95/62/80/504956280.db2.gz TYRPIBSVNGOISH-JBACZVJFSA-N 2 0 372.557 3.200 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N(C)[C@H](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000565683846 504957555 /nfs/dbraw/zinc/95/75/55/504957555.db2.gz ONXZIDZQPVDZGH-WIYYLYMNSA-N 2 0 374.573 3.441 20 0 FGADRP C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)Nc2cccc3c2CC[NH2+]C3)C1 ZINC000565705085 504964246 /nfs/dbraw/zinc/96/42/46/504964246.db2.gz FULKMLNGRYOQQU-ZWKOTPCHSA-N 2 0 370.541 3.451 20 0 FGADRP Cc1ccccc1C[NH+]1CCC(NC(=O)C[NH+]2CCC(C)(C)CC2)CC1 ZINC000550148767 504978165 /nfs/dbraw/zinc/97/81/65/504978165.db2.gz XPNARWZLKCTLCH-UHFFFAOYSA-N 2 0 357.542 3.198 20 0 FGADRP CCC(CC)(CNC(=O)N1CCC[C@@H](C[NH3+])C1)[NH2+][C@H](C)c1ccccc1 ZINC000565765990 504982009 /nfs/dbraw/zinc/98/20/09/504982009.db2.gz XYIVVGVDKXFQTR-MSOLQXFVSA-N 2 0 360.546 3.276 20 0 FGADRP C[C@@H](CCc1ccc(F)cc1F)[NH2+]C1CCN(C2CC[NH+](C)CC2)CC1 ZINC000556869027 505001429 /nfs/dbraw/zinc/00/14/29/505001429.db2.gz DHFWNOMSBWDWNF-INIZCTEOSA-N 2 0 365.512 3.434 20 0 FGADRP CC[C@H](C(=O)N1CC[NH+]([C@@H]2C[C@H]2C)C[C@@H](C)C1)[N@H+](C)Cc1ccccc1 ZINC000553768555 505003905 /nfs/dbraw/zinc/00/39/05/505003905.db2.gz PWQBPEGZYITJLP-VURPSTOHSA-N 2 0 357.542 3.086 20 0 FGADRP C[C@@H]1C[N@@H+](Cc2ccc(C[NH2+][C@@H]3COc4ccccc4C3)cc2)C[C@H](C)O1 ZINC000550607121 505072755 /nfs/dbraw/zinc/07/27/55/505072755.db2.gz NTFYAQINOUZFRY-SVMVAKDDSA-N 2 0 366.505 3.389 20 0 FGADRP C[NH+]1CCC(O)(C[NH2+]Cc2cnn(C3CCCC3)c2-c2ccccc2)CC1 ZINC000566076836 505073591 /nfs/dbraw/zinc/07/35/91/505073591.db2.gz AJUUQWYIWALMJA-UHFFFAOYSA-N 2 0 368.525 3.212 20 0 FGADRP CCc1cc(N2CCC([NH+](CCOC)CCOC)CC2)c2ccccc2[nH+]1 ZINC000563245313 505086681 /nfs/dbraw/zinc/08/66/81/505086681.db2.gz OWHGNCFGAYSTKC-UHFFFAOYSA-N 2 0 371.525 3.361 20 0 FGADRP O[C@H](C[NH2+]CC1CC[NH+](C2CC2)CC1)COc1ccc2ccccc2c1 ZINC000566125064 505090012 /nfs/dbraw/zinc/09/00/12/505090012.db2.gz OHHDPPAZXKCFJO-OAQYLSRUSA-N 2 0 354.494 3.044 20 0 FGADRP CN(CCC[N@H+](C)Cc1ccncc1)C(=O)C[C@@H](c1ccccc1)[NH+](C)C ZINC000563262477 505090786 /nfs/dbraw/zinc/09/07/86/505090786.db2.gz OIBNVPHPEHVHSQ-NRFANRHFSA-N 2 0 368.525 3.055 20 0 FGADRP CCCN(CC[NH+]1CCCC1)C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000554206004 505115029 /nfs/dbraw/zinc/11/50/29/505115029.db2.gz FNKFWZIMJHKBRO-OAQYLSRUSA-N 2 0 372.557 3.341 20 0 FGADRP C[N@@H+]1CC[C@H]([NH2+]C[C@H](O)COc2cccc(Cl)c2Cl)[C@@H]2CCC[C@@H]21 ZINC000560530250 505116679 /nfs/dbraw/zinc/11/66/79/505116679.db2.gz PGQIAXOUHYTHJY-SDADXPQNSA-N 2 0 373.324 3.196 20 0 FGADRP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1ccc(Br)c(Br)c1 ZINC000566230189 505118879 /nfs/dbraw/zinc/11/88/79/505118879.db2.gz PSETYADXVLSGDC-DTWKUNHWSA-N 2 0 350.098 3.427 20 0 FGADRP CCC(CC)(C[NH3+])C(=O)NC[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000566250857 505123728 /nfs/dbraw/zinc/12/37/28/505123728.db2.gz FLVILTNWUGKQSL-RHSMWYFYSA-N 2 0 369.912 3.353 20 0 FGADRP CN1CC[C@H]([NH2+]C2CCN(c3ccccn3)CC2)C[C@@H]1c1ccccc1 ZINC000551007375 505141309 /nfs/dbraw/zinc/14/13/09/505141309.db2.gz DGFCUPQZQFTVIU-LEWJYISDSA-N 3 0 350.510 3.476 20 0 FGADRP C[N@@H+]1CC[C@H](NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)C[C@@H]1c1ccccc1 ZINC000551087647 505154946 /nfs/dbraw/zinc/15/49/46/505154946.db2.gz VNXVQLPEMFGLPP-WBADGQHESA-N 2 0 371.569 3.179 20 0 FGADRP O=C(NC[C@H]1CCC[N@H+](CC[C@H]2CCC[NH2+]C2)C1)Nc1cccc(F)c1 ZINC000563664695 505204996 /nfs/dbraw/zinc/20/49/96/505204996.db2.gz AEHLSBKNZBTNSM-IAGOWNOFSA-N 2 0 362.493 3.049 20 0 FGADRP C[C@@H]1C[C@H]([NH2+]CCCC[NH+]2CCN(c3ncccn3)CC2)c2ccccc21 ZINC000563747899 505227211 /nfs/dbraw/zinc/22/72/11/505227211.db2.gz OAMIUPWYVXJWHV-NQIIRXRSSA-N 2 0 365.525 3.217 20 0 FGADRP CC(C)(C)[NH+]1CCC([NH2+]C[C@@H](CO)Cc2cc(F)c(F)c(F)c2)CC1 ZINC000563779020 505235569 /nfs/dbraw/zinc/23/55/69/505235569.db2.gz HDNBPNWIDHNEBP-AWEZNQCLSA-N 2 0 358.448 3.107 20 0 FGADRP C[C@@H]1C[C@H]1[N@@H+]1CCN(C(=O)c2cccc(C[NH+]3CCCC3)c2)C[C@@H](C)C1 ZINC000558014077 505285601 /nfs/dbraw/zinc/28/56/01/505285601.db2.gz VBYNSCQHFRCXBW-WAOWUJCRSA-N 2 0 355.526 3.085 20 0 FGADRP C[C@H]1C[C@@H]1[N@@H+]1CCN(C(=O)c2ccc(Nc3cc[nH+]cc3)cc2)C[C@@H](C)C1 ZINC000558021113 505287973 /nfs/dbraw/zinc/28/79/73/505287973.db2.gz CZZWEMWNVARLGG-FIKGOQFSSA-N 2 0 364.493 3.049 20 0 FGADRP C[NH+](C)CCCCC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000566890582 505302002 /nfs/dbraw/zinc/30/20/02/505302002.db2.gz IYAPREJWYIJZKG-RTWAWAEBSA-N 2 0 357.542 3.231 20 0 FGADRP CCOC(=O)CC(C)(C)CC[NH+]1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000558083693 505303492 /nfs/dbraw/zinc/30/34/92/505303492.db2.gz KPLIMWOHNJJDLS-QZTJIDSGSA-N 2 0 368.562 3.177 20 0 FGADRP CC[NH+]1CCC(CNC(=O)NC2CCC([NH+]3CCC(C)CC3)CC2)CC1 ZINC000566925232 505313408 /nfs/dbraw/zinc/31/34/08/505313408.db2.gz FLUDOYOXECDOTC-UHFFFAOYSA-N 2 0 364.578 3.061 20 0 FGADRP O[C@@H](C[NH2+]CC1CC[NH+](Cc2cccs2)CC1)Cc1ccc(F)cc1 ZINC000564078950 505319824 /nfs/dbraw/zinc/31/98/24/505319824.db2.gz XXBMPEJDNABIPN-LJQANCHMSA-N 2 0 362.514 3.292 20 0 FGADRP CSC1(C[NH2+][C@H](C)CC(=O)Nc2ccc(C)cc2C)CC[NH+](C)CC1 ZINC000555000211 505324734 /nfs/dbraw/zinc/32/47/34/505324734.db2.gz NSMSIZUCWUSQKP-QGZVFWFLSA-N 2 0 363.571 3.438 20 0 FGADRP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](CCc3ccc(F)cc3Cl)C2)CC1 ZINC000564529427 505443326 /nfs/dbraw/zinc/44/33/26/505443326.db2.gz PKISDSKPRSEDJD-GOSISDBHSA-N 2 0 353.913 3.122 20 0 FGADRP Cc1ccc([C@H](CNC(=O)N2CCCC[C@H]2[C@H](C)[NH3+])[NH+]2CCCC2)cc1 ZINC000564548677 505449796 /nfs/dbraw/zinc/44/97/96/505449796.db2.gz LZBQGTDFXMTWAA-IHPCNDPISA-N 2 0 358.530 3.043 20 0 FGADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]Cc1ccc(-c2ccc3c(c2)CCO3)cc1 ZINC000564560214 505453827 /nfs/dbraw/zinc/45/38/27/505453827.db2.gz USZUDVIAKPMCMY-IWMITWMQSA-N 2 0 352.478 3.130 20 0 FGADRP CCC[N@H+](CC)C[C@@H](C)NC(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000564568674 505456429 /nfs/dbraw/zinc/45/64/29/505456429.db2.gz SPHNZNIXRGFDPX-GOSISDBHSA-N 2 0 360.546 3.202 20 0 FGADRP CN(C(=O)N[C@H](C[NH3+])c1ccc2ccccc2c1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000564716858 505501120 /nfs/dbraw/zinc/50/11/20/505501120.db2.gz LUBLHGWVCXEKRU-JGUMPVPUSA-N 2 0 366.509 3.106 20 0 FGADRP c1cn(Cc2ccc(C[NH2+][C@H]3C[C@]4(CC[NH2+]C4)Oc4ccccc43)cc2)cn1 ZINC000567642317 505522767 /nfs/dbraw/zinc/52/27/67/505522767.db2.gz GUTAMADXAYRNND-GMAHTHKFSA-N 2 0 374.488 3.277 20 0 FGADRP C[C@@H]1C[NH+](Cc2ccc(-c3nc(C4([NH3+])CCCCC4)no3)cc2)C[C@@H](C)O1 ZINC000567663641 505528258 /nfs/dbraw/zinc/52/82/58/505528258.db2.gz XYKONEUJJSAXEO-HZPDHXFCSA-N 2 0 370.497 3.464 20 0 FGADRP CCC[N@H+](C)[C@H](CNC(=O)[C@H]1CCC[NH+]1C1CC1)c1ccc(Cl)cc1 ZINC000552671114 505530906 /nfs/dbraw/zinc/53/09/06/505530906.db2.gz LUFYETKRURJIBS-RTBURBONSA-N 2 0 363.933 3.466 20 0 FGADRP C[NH+](C)Cc1ccccc1C(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000558931751 505532878 /nfs/dbraw/zinc/53/28/78/505532878.db2.gz CNISHPPWXXSWBI-IBGZPJMESA-N 2 0 359.901 3.434 20 0 FGADRP O[C@H](C[NH2+]Cc1ccccc1C[NH+]1CCCC1)COc1ccc(Cl)cc1 ZINC000567680076 505534354 /nfs/dbraw/zinc/53/43/54/505534354.db2.gz OQEVWDSCFIFEKI-HXUWFJFHSA-N 2 0 374.912 3.465 20 0 FGADRP CC(C)(C[NH2+]C[C@H](O)Cc1ccccc1C(F)(F)F)C[NH+]1CCCC1 ZINC000567700763 505541481 /nfs/dbraw/zinc/54/14/81/505541481.db2.gz QPQHOAGNDFRIGH-MRXNPFEDSA-N 2 0 358.448 3.320 20 0 FGADRP Cc1ccccc1[C@@H]([NH3+])C(=O)Nc1ccc(OCC[N@H+]2CC[C@H](C)C2)cc1 ZINC000564924572 505559271 /nfs/dbraw/zinc/55/92/71/505559271.db2.gz MCGJFZNYVNIELC-HRAATJIYSA-N 2 0 367.493 3.354 20 0 FGADRP Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)C[C@@H]1CCCC[C@@H]1[NH3+] ZINC000567784133 505562739 /nfs/dbraw/zinc/56/27/39/505562739.db2.gz LRYPMIFQMVQJLR-ROUUACIJSA-N 2 0 361.555 3.390 20 0 FGADRP C[NH+](C)CCOc1ccc(C[NH2+]C2(c3ccccc3)CCOCC2)cc1 ZINC000608060100 506400050 /nfs/dbraw/zinc/40/00/50/506400050.db2.gz QGJCHNNIWHJDJR-UHFFFAOYSA-N 2 0 354.494 3.423 20 0 FGADRP O=C(Nc1cnn(-c2cc[nH+]cc2)c1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000589134794 506453112 /nfs/dbraw/zinc/45/31/12/506453112.db2.gz RBMXDCICYUVHOL-UHFFFAOYSA-N 2 0 361.449 3.118 20 0 FGADRP CC1CC[NH+](CCc2cccc(NC(=O)NC[C@]3(C)CCC[NH2+]C3)c2)CC1 ZINC000582892909 506475472 /nfs/dbraw/zinc/47/54/72/506475472.db2.gz GQWKPHREIBKYJS-JOCHJYFZSA-N 2 0 372.557 3.472 20 0 FGADRP CC[C@@H](C)[N@H+](C)CCNC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000589204242 506483040 /nfs/dbraw/zinc/48/30/40/506483040.db2.gz ZJJZEXSYCAOBKJ-GOSISDBHSA-N 2 0 360.546 3.202 20 0 FGADRP CCCC[N@H+](C)CC1CC[NH+]([C@@H](C)C(=O)NCc2ccc(C)cc2)CC1 ZINC000582922066 506490270 /nfs/dbraw/zinc/49/02/70/506490270.db2.gz VRNWJHLRSDZWMQ-IBGZPJMESA-N 2 0 359.558 3.444 20 0 FGADRP CSC1(C[NH2+]Cc2ccc(Oc3cnccn3)cc2)CC[NH+](C)CC1 ZINC000589325396 506518398 /nfs/dbraw/zinc/51/83/98/506518398.db2.gz HSPUQVZVGCXKLW-UHFFFAOYSA-N 2 0 358.511 3.186 20 0 FGADRP Cc1ccccc1C[N@H+]1CCCN(C(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC000608352439 506520197 /nfs/dbraw/zinc/52/01/97/506520197.db2.gz XBVKIYCFWKPWCL-FQEVSTJZSA-N 2 0 357.542 3.294 20 0 FGADRP C[C@H](C(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)[NH+]1CCCCCC1 ZINC000608357724 506524339 /nfs/dbraw/zinc/52/43/39/506524339.db2.gz GELDYTBPCUQUDF-CTNGQTDRSA-N 2 0 357.542 3.279 20 0 FGADRP CCC(CC)[C@H](CNC(=O)N[C@H](C)C[NH+]1CCCCC1)[NH+]1CCCC1 ZINC000612338806 506533994 /nfs/dbraw/zinc/53/39/94/506533994.db2.gz NLPURXURKUSYFO-MJGOQNOKSA-N 2 0 352.567 3.061 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)N1CCC[C@H]([NH+]2CCCC2)C1)CC(C)C ZINC000612338014 506534180 /nfs/dbraw/zinc/53/41/80/506534180.db2.gz UXTQXFKQONYJEA-RBUKOAKNSA-N 2 0 352.567 3.013 20 0 FGADRP C[C@@H]([NH2+]CCC1CC[NH2+]CC1)c1ccc(I)cc1 ZINC000593324465 506541744 /nfs/dbraw/zinc/54/17/44/506541744.db2.gz WNCKYRCDDPPDSS-GFCCVEGCSA-N 2 0 358.267 3.332 20 0 FGADRP C[C@H]1C[C@H](N(C)C(=O)c2ccccc2CC[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000583091205 506584629 /nfs/dbraw/zinc/58/46/29/506584629.db2.gz LJNCFBCJTWEYAB-GHTZIAJQSA-N 2 0 365.521 3.313 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@H]1CCc2ccc(C)cc21 ZINC000608673413 506659333 /nfs/dbraw/zinc/65/93/33/506659333.db2.gz OLSDHCQQXHGOAG-FPOVZHCZSA-N 2 0 372.557 3.040 20 0 FGADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)N2CC[C@@H]([NH+](C)Cc3ccccc3)C2)C1 ZINC000608671667 506659649 /nfs/dbraw/zinc/65/96/49/506659649.db2.gz WVOJFJFJMKFZSQ-NHCUHLMSSA-N 2 0 372.557 3.023 20 0 FGADRP CC[NH+](Cc1ccccc1C[N@H+](CC)C[C@@H]1CCOC1)C[C@@H]1CCOC1 ZINC000604053812 506700389 /nfs/dbraw/zinc/70/03/89/506700389.db2.gz UKPIKLSCTYOQQL-PMACEKPBSA-N 2 0 360.542 3.403 20 0 FGADRP CSc1ccccc1NC(=O)CN(C)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000583446126 506782983 /nfs/dbraw/zinc/78/29/83/506782983.db2.gz PTGGAWDLCJXWDA-UHFFFAOYSA-N 2 0 355.507 3.125 20 0 FGADRP CCC[NH+](CCC)CCCNC(=O)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000590353393 506801998 /nfs/dbraw/zinc/80/19/98/506801998.db2.gz FKHOOSPCVLKPLX-UHFFFAOYSA-N 2 0 374.573 3.416 20 0 FGADRP CC1CCC([NH+]2CCN(C(=O)NCC(C)(C)[NH+]3CCCCC3)CC2)CC1 ZINC000604427027 506828767 /nfs/dbraw/zinc/82/87/67/506828767.db2.gz VFJIWEPXLQKXES-UHFFFAOYSA-N 2 0 364.578 3.157 20 0 FGADRP C[C@H](C[NH2+]CCC(=O)Nc1ccc(Br)cc1)C[NH+]1CCCC1 ZINC000583625799 506884298 /nfs/dbraw/zinc/88/42/98/506884298.db2.gz NMCRXYKIGFGYKW-CQSZACIVSA-N 2 0 368.319 3.099 20 0 FGADRP CC[NH+](CC)CCOc1ccc(C(=O)Nc2ccc(C[NH2+]C)cc2)cc1 ZINC000583633422 506887351 /nfs/dbraw/zinc/88/73/51/506887351.db2.gz DMFAQTLNPGGVFA-UHFFFAOYSA-N 2 0 355.482 3.379 20 0 FGADRP CC[NH+]1CCC(CNC(=O)NC[C@H]2CCC[N@@H+]2CC2CCCCC2)CC1 ZINC000583648176 506893855 /nfs/dbraw/zinc/89/38/55/506893855.db2.gz AEYSLDLYYNGJKZ-HXUWFJFHSA-N 2 0 364.578 3.062 20 0 FGADRP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)[C@@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000613128595 506929768 /nfs/dbraw/zinc/92/97/68/506929768.db2.gz HNLXALGLGTXDAE-DENIHFKCSA-N 2 0 371.569 3.130 20 0 FGADRP Cc1cc2ncn(C[C@@H](O)C[NH+]3CCC(C[N@@H+](C)C(C)C)CC3)c2cc1C ZINC000590786355 506954718 /nfs/dbraw/zinc/95/47/18/506954718.db2.gz TYYSUCZRDJRRJJ-FQEVSTJZSA-N 2 0 372.557 3.066 20 0 FGADRP CCN(C(=O)NC[C@@H]1CCC[C@H]([NH3+])C1)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000583802318 506982914 /nfs/dbraw/zinc/98/29/14/506982914.db2.gz QKSKCKBTBVCRDT-QCFAMHMHSA-N 2 0 372.557 3.371 20 0 FGADRP Cc1cccc(OCC[N@@H+](C)C[C@H](O)Cn2cnc3cc(C)c(C)cc32)c1 ZINC000613341072 507040420 /nfs/dbraw/zinc/04/04/20/507040420.db2.gz SSPYESNODWEZQD-IBGZPJMESA-N 2 0 367.493 3.333 20 0 FGADRP O=C(N[C@@H](C[NH+]1CCCC1)c1ccccc1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000594288929 507064734 /nfs/dbraw/zinc/06/47/34/507064734.db2.gz ZCBMTYUVXHHKRH-RTWAWAEBSA-N 2 0 370.541 3.093 20 0 FGADRP CCCC[N@H+](C)CC1CCN(C(=O)NCC[NH+]2[C@H](C)CCC[C@@H]2C)CC1 ZINC000594310434 507073761 /nfs/dbraw/zinc/07/37/61/507073761.db2.gz FJHJUTVSVAUZDT-KDURUIRLSA-N 2 0 366.594 3.403 20 0 FGADRP C[C@H](CCNC(=O)[C@@H](C[NH+]1CCCC1)c1ccccc1)[NH+]1CCCCC1 ZINC000613466008 507104966 /nfs/dbraw/zinc/10/49/66/507104966.db2.gz UPKYIBZUDGHQJP-CTNGQTDRSA-N 2 0 357.542 3.247 20 0 FGADRP CC(C)[C@H](C(=O)NCc1ccccc1C[NH+]1CCCC1)[NH+]1CCCCC1 ZINC000591109555 507118054 /nfs/dbraw/zinc/11/80/54/507118054.db2.gz PHZPVNLKVIFDQW-OAQYLSRUSA-N 2 0 357.542 3.409 20 0 FGADRP c1nn2ccccc2c1C[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000600812201 507131716 /nfs/dbraw/zinc/13/17/16/507131716.db2.gz QNHAGONEJSXAGM-UHFFFAOYSA-N 2 0 350.466 3.099 20 0 FGADRP C[C@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1ccccc1I ZINC000594509450 507161644 /nfs/dbraw/zinc/16/16/44/507161644.db2.gz INKBWZDGLNMQHE-RWMBFGLXSA-N 2 0 358.267 3.282 20 0 FGADRP CC[C@@H](CNC(=O)Nc1ccc2c(c1)C[NH2+]C2)[N@@H+]1CCc2ccccc2C1 ZINC000584220336 507221036 /nfs/dbraw/zinc/22/10/36/507221036.db2.gz IFTLSERVGCQJRI-NRFANRHFSA-N 2 0 364.493 3.248 20 0 FGADRP CC(C)[C@@H](CNC(=O)NCC1([NH+](C)C)CCCCCC1)[NH+]1CCCC1 ZINC000591543748 507284583 /nfs/dbraw/zinc/28/45/83/507284583.db2.gz XZXBFIJXPRCLDX-GOSISDBHSA-N 2 0 352.567 3.061 20 0 FGADRP C[C@@H](CNC(=O)NCc1ccccc1C[N@@H+]1CCCC[C@H]1C)[NH+](C)C1CC1 ZINC000591554161 507289574 /nfs/dbraw/zinc/28/95/74/507289574.db2.gz UWWONNPSCQXIIJ-MSOLQXFVSA-N 2 0 372.557 3.343 20 0 FGADRP C[C@@H]([NH2+][C@@H]1CC12CC[NH2+]CC2)c1ccc(I)cc1 ZINC000591579236 507300664 /nfs/dbraw/zinc/30/06/64/507300664.db2.gz CJWZZABILFDRGL-BXUZGUMPSA-N 2 0 356.251 3.084 20 0 FGADRP CCC(CC)[C@H](CNC(=O)N1CCC[C@@H]([NH2+]C(C)C)C1)[NH+]1CCCC1 ZINC000601229949 507304308 /nfs/dbraw/zinc/30/43/08/507304308.db2.gz GSHSVIVEEBRFGT-MOPGFXCFSA-N 2 0 352.567 3.059 20 0 FGADRP CCC[NH+](CCC)CCCNC(=O)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000591590621 507305009 /nfs/dbraw/zinc/30/50/09/507305009.db2.gz OSTYWXYNNRXLJO-LJQANCHMSA-N 2 0 352.567 3.158 20 0 FGADRP COC(=O)[C@@H]1C[C@H]1[C@@H](C)[NH2+]Cc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000594919800 507315646 /nfs/dbraw/zinc/31/56/46/507315646.db2.gz BEZRSLVONZBZOX-UIAACRFSSA-N 2 0 356.466 3.199 20 0 FGADRP COc1cc2c(cc1F)[nH+]ccc2N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000584540196 507401615 /nfs/dbraw/zinc/40/16/15/507401615.db2.gz QGPPSJGBAYIRFI-HNNXBMFYSA-N 2 0 359.445 3.074 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(C[NH2+]C[C@H]3CNc4ccnn4C3)cc2)C1 ZINC000595139035 507405795 /nfs/dbraw/zinc/40/57/95/507405795.db2.gz GLOISDLKLQSZQF-UEXGIBASSA-N 2 0 367.541 3.193 20 0 FGADRP CCc1ccc(CN2CCN(C(=O)[C@@H](C)[N@H+]3[C@H](C)CC[C@@H]3C)CC2)s1 ZINC000606535118 507437079 /nfs/dbraw/zinc/43/70/79/507437079.db2.gz BHVQQHMHTNXGOM-IXDOHACOSA-N 2 0 363.571 3.216 20 0 FGADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000595636291 507607902 /nfs/dbraw/zinc/60/79/02/507607902.db2.gz IPGRLGSSFORSGF-HXUWFJFHSA-N 2 0 360.546 3.202 20 0 FGADRP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccc(CC(F)(F)F)cc3)C2)CC1 ZINC000602485135 507722512 /nfs/dbraw/zinc/72/25/12/507722512.db2.gz QVPAILWSTUMEIU-LJQANCHMSA-N 2 0 369.475 3.392 20 0 FGADRP CC[C@@H]1CN(C(=O)NCc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)CC[C@H]1[NH3+] ZINC000669117726 568032054 /nfs/dbraw/zinc/03/20/54/568032054.db2.gz AEYIMSTZVIGQTE-DUXKGJEZSA-N 2 0 372.557 3.330 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[NH+](CCc3ccccc3)C2)[C@@H](C)C1 ZINC000669123979 568082464 /nfs/dbraw/zinc/08/24/64/568082464.db2.gz LDCPSUMZFIXVCN-NNWRFLSQSA-N 2 0 371.569 3.130 20 0 FGADRP [NH3+]C1(CNC(=O)Nc2ccccc2Cl)CC[NH+](Cc2ccccc2)CC1 ZINC000623068510 568130717 /nfs/dbraw/zinc/13/07/17/568130717.db2.gz BYJKCQHRDORECP-UHFFFAOYSA-N 2 0 372.900 3.455 20 0 FGADRP c1sc(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)cc1-c1nn[nH]n1 ZINC000826526896 608738504 /nfs/dbraw/zinc/73/85/04/608738504.db2.gz QWONROLTNMKJLJ-UHFFFAOYSA-N 2 0 360.531 3.016 20 0 FGADRP C[C@@H]([NH2+]CCCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824877609 609133461 /nfs/dbraw/zinc/13/34/61/609133461.db2.gz ZEZIVGXMRNRQBM-BZUAXINKSA-N 2 0 374.508 3.415 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CNC(=S)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000044133034 695803283 /nfs/dbraw/zinc/80/32/83/695803283.db2.gz GIVRLNFZFLZVIP-LJQANCHMSA-N 2 0 360.571 3.443 20 0 FGADRP Cc1ncc([C@H](C)[NH2+]CCCN2CC[N@H+](C)C[C@@H]2c2ccccc2)s1 ZINC000090402396 700402729 /nfs/dbraw/zinc/40/27/29/700402729.db2.gz NOTJBOFJVSZYIL-QFBILLFUSA-N 2 0 358.555 3.481 20 0 FGADRP C[C@H]([NH2+]C[C@@H](c1ccc(Cl)cc1)N1CCOCC1)C1CC[NH+](C)CC1 ZINC000119819775 700639467 /nfs/dbraw/zinc/63/94/67/700639467.db2.gz ZRVPKUTZURVVNR-JXFKEZNVSA-N 2 0 365.949 3.033 20 0 FGADRP CN(CC1CC[NH+](CCC[NH+]2CCCCC2)CC1)C(=O)OC(C)(C)C ZINC000161336767 705273201 /nfs/dbraw/zinc/27/32/01/705273201.db2.gz UYHLTQXZDHYNJC-UHFFFAOYSA-N 2 0 353.551 3.441 20 0 FGADRP C[C@@H]1CCC[N@H+](CCCC[NH2+]C2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000177220550 705613543 /nfs/dbraw/zinc/61/35/43/705613543.db2.gz GPVAQKNOJLUDPF-QGZVFWFLSA-N 2 0 353.551 3.488 20 0 FGADRP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000182541380 705849290 /nfs/dbraw/zinc/84/92/90/705849290.db2.gz VKWQSULGWNEMGD-RYRKJORJSA-N 2 0 351.535 3.238 20 0 FGADRP CC[NH+](CC)Cc1cc([C@H](C)[NH2+]CCC2(C)OCCO2)ccc1OC ZINC000183902145 705909631 /nfs/dbraw/zinc/90/96/31/705909631.db2.gz OQEUXOQHSHMFNX-INIZCTEOSA-N 2 0 350.503 3.341 20 0 FGADRP COc1ccc([C@H](C)[NH2+][C@@H](C)C[S@@](C)=O)cc1C[NH+]1CCCCC1 ZINC000184299804 705928730 /nfs/dbraw/zinc/92/87/30/705928730.db2.gz BXOCWTBPCNGABT-CCHLGUQTSA-N 2 0 352.544 3.099 20 0 FGADRP C[N@@H+]1CCC[C@@H]2C[NH+](C[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)CC[C@@H]21 ZINC000247993968 713645188 /nfs/dbraw/zinc/64/51/88/713645188.db2.gz JTHSWZXYSMUMPX-KSZLIROESA-N 2 0 351.535 3.050 20 0 FGADRP CC(C)(C)[S@](=O)CC[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000248399525 713648976 /nfs/dbraw/zinc/64/89/76/713648976.db2.gz JZVYTMNWGDVJLK-KYCQWFEFSA-N 2 0 362.583 3.424 20 0 FGADRP C[C@H]([NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248436317 713649932 /nfs/dbraw/zinc/64/99/32/713649932.db2.gz GEHJFWCBNPPORL-ULQDDVLXSA-N 2 0 351.535 3.238 20 0 FGADRP C[C@H](C[NH2+][C@H]1CCCC[C@H]1CNC(=O)OC(C)(C)C)C[NH+]1CCCC1 ZINC000301466925 713782227 /nfs/dbraw/zinc/78/22/27/713782227.db2.gz WMDNUBNEZFTKTJ-SQNIBIBYSA-N 2 0 353.551 3.391 20 0 FGADRP CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]C2CCN(C3CC3)CC2)C(C)(C)C1 ZINC000302424669 713783363 /nfs/dbraw/zinc/78/33/63/713783363.db2.gz ZPCZICOMZXLMPI-QGZVFWFLSA-N 2 0 351.535 3.238 20 0 FGADRP C[C@H]([NH2+]CC1(C)CC[NH+](C)CC1)[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000386575510 713985282 /nfs/dbraw/zinc/98/52/82/713985282.db2.gz NBVNZIUUVCTGHL-IRXDYDNUSA-N 2 0 353.551 3.486 20 0 FGADRP CC[N@H+](CCC1CCN(C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)CC1)CC(C)C ZINC000418567772 714010210 /nfs/dbraw/zinc/01/02/10/714010210.db2.gz BFGHQIYPLCRWIQ-MOPGFXCFSA-N 2 0 352.567 3.046 20 0 FGADRP C[N@@H+]1CCN(CC[NH2+][C@@H]2CCSc3c(Cl)cccc32)CC1(C)C ZINC000442878679 714030875 /nfs/dbraw/zinc/03/08/75/714030875.db2.gz UJRLIUXJQFFYMM-MRXNPFEDSA-N 2 0 353.963 3.493 20 0 FGADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)Nc1cc(Cl)c(Cl)cc1F ZINC000521759731 714146299 /nfs/dbraw/zinc/14/62/99/714146299.db2.gz CBRISECOTSOPEH-UHFFFAOYSA-N 2 0 365.280 3.090 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1)c1ccsc1 ZINC000522080404 714169188 /nfs/dbraw/zinc/16/91/88/714169188.db2.gz CVEJKPCATUYZKV-ROUUACIJSA-N 2 0 364.559 3.009 20 0 FGADRP C[C@@H]1CCC[C@](CNC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)([NH+](C)C)C1 ZINC000523912572 714258415 /nfs/dbraw/zinc/25/84/15/714258415.db2.gz BWUICKMDVAIBEM-HLIPFELVSA-N 2 0 354.583 3.163 20 0 FGADRP Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC000525484661 714356405 /nfs/dbraw/zinc/35/64/05/714356405.db2.gz IYNFOKIQMVYKQL-IAGOWNOFSA-N 2 0 361.555 3.355 20 0 FGADRP CC(C)[N@H+](C)CC1CCN(C(=O)NC2CC[NH+](C(C)(C)C)CC2)CC1 ZINC000615751410 714548370 /nfs/dbraw/zinc/54/83/70/714548370.db2.gz DAVCPSRVISCEQZ-UHFFFAOYSA-N 2 0 352.567 3.011 20 0 FGADRP C[NH+](C)C1(CNC(=O)NCC(C)(C)[NH+]2CCCCC2)CCCCCC1 ZINC000642634554 717985902 /nfs/dbraw/zinc/98/59/02/717985902.db2.gz ZUDJFIZJSLRWDA-UHFFFAOYSA-N 2 0 352.567 3.205 20 0 FGADRP C[N@@H+]1CC[C@H]([NH2+]C[C@H](c2ccc(Cl)cc2)N2CCOCC2)CC1(C)C ZINC000623384104 715323342 /nfs/dbraw/zinc/32/33/42/715323342.db2.gz OUWHEOIWXURNBC-RBUKOAKNSA-N 2 0 365.949 3.176 20 0 FGADRP COc1cc(C[NH2+]CC2CC[NH+](C3CCOCC3)CC2)ccc1Cl ZINC000623562357 715361719 /nfs/dbraw/zinc/36/17/19/715361719.db2.gz PCDTVLCQRUYKDH-UHFFFAOYSA-N 2 0 352.906 3.329 20 0 FGADRP C[NH+]1CCN(CCC[NH2+][C@H]2CCCC[C@H]2Sc2ccc(F)cc2)CC1 ZINC000623854117 715415452 /nfs/dbraw/zinc/41/54/52/715415452.db2.gz SQSCYGBYALMKIN-VQTJNVASSA-N 2 0 365.562 3.456 20 0 FGADRP OC1(C[NH2+][C@H]2CCCc3scnc32)CC[NH+](Cc2ccccc2)CC1 ZINC000624000621 715450673 /nfs/dbraw/zinc/45/06/73/715450673.db2.gz HQPVAIYMVOJTFD-KRWDZBQOSA-N 2 0 357.523 3.137 20 0 FGADRP CC[N@H+](CCCNC(=O)NC[C@H]1CCCC[NH+](C)C1)C1CCCCC1 ZINC000624294519 715506134 /nfs/dbraw/zinc/50/61/34/715506134.db2.gz CXZARMWQMMAXSW-GOSISDBHSA-N 2 0 352.567 3.062 20 0 FGADRP CC[N@H+](CCCNC(=O)NC[C@@H]1CCCC[NH+](C)C1)C1CCCCC1 ZINC000624294520 715506286 /nfs/dbraw/zinc/50/62/86/715506286.db2.gz CXZARMWQMMAXSW-SFHVURJKSA-N 2 0 352.567 3.062 20 0 FGADRP C[N@@H+]1CCC[C@H]1CNC(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000626597666 715934410 /nfs/dbraw/zinc/93/44/10/715934410.db2.gz DHTCXHIFFTVCIG-KRWDZBQOSA-N 2 0 362.543 3.090 20 0 FGADRP COC[C@H](CCC[NH3+])[NH2+][C@H](C)c1cc(F)c(Br)cc1F ZINC000629515239 716302474 /nfs/dbraw/zinc/30/24/74/716302474.db2.gz NHESNVSQKXLQGE-ZJUUUORDSA-N 2 0 351.235 3.132 20 0 FGADRP C[NH2+]CCOCC[NH2+][C@H](C)c1ccc(Br)cc1C(F)(F)F ZINC000629530635 716303324 /nfs/dbraw/zinc/30/33/24/716303324.db2.gz MFHSNQJNAAQSQP-SNVBAGLBSA-N 2 0 369.225 3.355 20 0 FGADRP C[NH2+]CCOCC[NH2+][C@@H](C)c1ccc(Br)cc1C(F)(F)F ZINC000629530634 716303766 /nfs/dbraw/zinc/30/37/66/716303766.db2.gz MFHSNQJNAAQSQP-JTQLQIEISA-N 2 0 369.225 3.355 20 0 FGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]Cc2ccccc2CC(F)(F)F)CC1 ZINC000631065398 716557993 /nfs/dbraw/zinc/55/79/93/716557993.db2.gz YGGJRTWFMPRYJJ-INIZCTEOSA-N 2 0 357.464 3.155 20 0 FGADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@H](CCO)c1ccc(Cl)c(F)c1 ZINC000635002878 717138926 /nfs/dbraw/zinc/13/89/26/717138926.db2.gz AUNMVUDOFGZTOZ-KZULUSFZSA-N 2 0 351.853 3.416 20 0 FGADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000635013838 717140011 /nfs/dbraw/zinc/14/00/11/717140011.db2.gz WQVKEXKBXBSAAH-JZXOWHBKSA-N 2 0 352.544 3.094 20 0 FGADRP C[NH+](C)[C@@H](CNC(=O)[C@@H]([NH3+])c1ccc(C(F)(F)F)cc1)c1cccs1 ZINC000638048178 717404004 /nfs/dbraw/zinc/40/40/04/717404004.db2.gz BMRRSONMSXSQNU-ZFWWWQNUSA-N 2 0 371.428 3.186 20 0 FGADRP Cc1cc(C[NH3+])oc1C(=O)Nc1ccc(C[NH+]2CCSCC2)cc1C ZINC000638090345 717407811 /nfs/dbraw/zinc/40/78/11/717407811.db2.gz VNDGROPGQGVNNP-UHFFFAOYSA-N 2 0 359.495 3.156 20 0 FGADRP COc1cc(C[NH2+]CC2CCN(c3cc[nH+]cc3)CC2)c(Cl)cc1O ZINC000638837823 717492136 /nfs/dbraw/zinc/49/21/36/717492136.db2.gz YDUULZXBXKJNIK-UHFFFAOYSA-N 2 0 361.873 3.455 20 0 FGADRP C[C@H]([NH2+][C@H]1CC[C@](O)(C(F)(F)F)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000644549929 718122331 /nfs/dbraw/zinc/12/23/31/718122331.db2.gz BMHQLBWFNUFOOH-JLJPHGGASA-N 2 0 360.420 3.124 20 0 FGADRP CC[C@H]1C[N@H+](Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)CC[C@@H]1[NH3+] ZINC000647497699 718364179 /nfs/dbraw/zinc/36/41/79/718364179.db2.gz RQFFLCWODHMLSM-HOCLYGCPSA-N 2 0 352.404 3.450 20 0 FGADRP Clc1ccc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c(-n2cncn2)c1 ZINC000647543629 718366548 /nfs/dbraw/zinc/36/65/48/718366548.db2.gz QMVCOPMOEIDWRD-CVEARBPZSA-N 2 0 359.905 3.132 20 0 FGADRP C[C@@H](C[N@@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2)c1cccc(Br)c1 ZINC000647545460 718366945 /nfs/dbraw/zinc/36/69/45/718366945.db2.gz OZLQOMUNMJKXLP-GOEBONIOSA-N 2 0 367.331 3.240 20 0 FGADRP Fc1ccc(CN2CCC[C@H]([NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@@H]4C3)C2)c(Cl)c1 ZINC000647550167 718367223 /nfs/dbraw/zinc/36/72/23/718367223.db2.gz CYHMTBGWOMDGOE-WQCNXYOZSA-N 2 0 365.924 3.421 20 0 FGADRP C[C@@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000647553325 718367449 /nfs/dbraw/zinc/36/74/49/718367449.db2.gz RWZRMVAYPYCXQK-HNNXBMFYSA-N 2 0 359.901 3.326 20 0 FGADRP Fc1cc(Br)ccc1CCC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000647785620 718377818 /nfs/dbraw/zinc/37/78/18/718377818.db2.gz CIYJNIZYYRJYJW-IIAWOOMASA-N 2 0 355.295 3.499 20 0 FGADRP CN(C)[C@H](C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1cccc(C(F)(F)F)c1 ZINC000647795225 718377906 /nfs/dbraw/zinc/37/79/06/718377906.db2.gz LEONKGZSAIZNCR-CYGHRXIMSA-N 2 0 355.448 3.286 20 0 FGADRP COC[C@@H]1CCC[NH+]1Cc1cc(C[N@H+]2CCC[C@H]2COC)ccc1F ZINC000649339095 718505458 /nfs/dbraw/zinc/50/54/58/718505458.db2.gz MGZRYMHAAMENOV-OALUTQOASA-N 2 0 350.478 3.047 20 0 FGADRP Cc1ccc(C[N@@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)c(Br)c1 ZINC000650708119 718717506 /nfs/dbraw/zinc/71/75/06/718717506.db2.gz TYGVBLVOWZSIQB-JZXOWHBKSA-N 2 0 367.331 3.476 20 0 FGADRP [NH3+]Cc1ccc(C[NH2+]Cc2cc3c(c(Br)c2)OCO3)c(F)c1 ZINC000650718817 718719683 /nfs/dbraw/zinc/71/96/83/718719683.db2.gz WZPUIBOQIDXIGS-UHFFFAOYSA-N 2 0 367.218 3.065 20 0 FGADRP Cn1c2ccc(Cl)cc2nc1C[N@@H+]1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1 ZINC000650723447 718720812 /nfs/dbraw/zinc/72/08/12/718720812.db2.gz NTUWPZYEXQMGPI-BMGDILEWSA-N 2 0 362.905 3.088 20 0 FGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@H]2CCc3ccc(F)c(Cl)c32)CC1 ZINC000651705342 718853421 /nfs/dbraw/zinc/85/34/21/718853421.db2.gz PJVKVXWEUVXDBU-YOEHRIQHSA-N 2 0 353.913 3.330 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)NCCC1(C[NH3+])CC1)c1ccccc1Cl ZINC000652119694 718913550 /nfs/dbraw/zinc/91/35/50/718913550.db2.gz UJGQZIDRMLMJHR-QGZVFWFLSA-N 2 0 366.937 3.151 20 0 FGADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2CCOc2ccc(Cl)c(F)c2)C1 ZINC000652363925 718937296 /nfs/dbraw/zinc/93/72/96/718937296.db2.gz SISDMMOWIGOMPT-BVGQSLNGSA-N 2 0 356.869 3.219 20 0 FGADRP Cc1ccc(-c2ncc(C[NH2+]C[C@@H](C)N3CC[NH+](C)CC3)s2)cc1C ZINC000655730247 719330827 /nfs/dbraw/zinc/33/08/27/719330827.db2.gz QOFMXVNWPOBHCF-QGZVFWFLSA-N 2 0 358.555 3.152 20 0 FGADRP CC(C)[N@H+](C)C[C@H](O)C[NH2+]CC1(Cc2ccc(Br)cc2)CC1 ZINC000656709135 719447525 /nfs/dbraw/zinc/44/75/25/719447525.db2.gz NFXUNTMIQAMKCK-QGZVFWFLSA-N 2 0 369.347 3.063 20 0 FGADRP C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]CC1([NH3+])CCCC1 ZINC000656788799 719470933 /nfs/dbraw/zinc/47/09/33/719470933.db2.gz CQOFRMHNMJKBLX-LBPRGKRZSA-N 2 0 354.292 3.027 20 0 FGADRP Cc1ncsc1-c1ccc(C[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000657457967 719654626 /nfs/dbraw/zinc/65/46/26/719654626.db2.gz GUIADLLJWZZVBD-UHFFFAOYSA-N 2 0 358.555 3.234 20 0 FGADRP COc1ccc(C[NH2+]CC2CC[NH+](C3CCOCC3)CC2)c(Cl)c1 ZINC000657536649 719667910 /nfs/dbraw/zinc/66/79/10/719667910.db2.gz MCZNTBMQRZTIND-UHFFFAOYSA-N 2 0 352.906 3.329 20 0 FGADRP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+]Cc1c[nH]nc1-c1cccc(Cl)c1 ZINC000657573379 719677258 /nfs/dbraw/zinc/67/72/58/719677258.db2.gz KQUOWKXIAWHNFA-HNNXBMFYSA-N 2 0 363.937 3.092 20 0 FGADRP Clc1cc(C[NH2+]CC2CC[NH+](CC3CC3)CC2)cc2c1OCCO2 ZINC000657811815 719716286 /nfs/dbraw/zinc/71/62/86/719716286.db2.gz HONSOMPXNXLBBI-UHFFFAOYSA-N 2 0 350.890 3.323 20 0 FGADRP CC[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]CCCN1CC[NH+](C)CC1 ZINC000657824006 719717514 /nfs/dbraw/zinc/71/75/14/719717514.db2.gz NLEHJIUWXRJENX-GOSISDBHSA-N 2 0 357.464 3.254 20 0 FGADRP C[C@@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)c1ccc(C(F)F)nc1 ZINC000657937445 719733883 /nfs/dbraw/zinc/73/38/83/719733883.db2.gz VKFXYJSPANZIQY-CYBMUJFWSA-N 2 0 350.413 3.205 20 0 FGADRP CC[NH+](CC)CCN(Cc1ccc(Cl)cc1)C(=O)CC1(C[NH3+])CC1 ZINC000659357402 719902669 /nfs/dbraw/zinc/90/26/69/719902669.db2.gz ZSYNJUVWPYQUJK-UHFFFAOYSA-N 2 0 351.922 3.139 20 0 FGADRP COc1ccc(Cl)cc1C[C@H]1CCC[N@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662258318 720405921 /nfs/dbraw/zinc/40/59/21/720405921.db2.gz ZKCKSCSGPDMKMN-QAPCUYQASA-N 2 0 364.917 3.124 20 0 FGADRP Clc1ccc2oc(C3CC[NH+](C[C@H]4CCC5(C[NH2+]C5)O4)CC3)nc2c1 ZINC000662260605 720406266 /nfs/dbraw/zinc/40/62/66/720406266.db2.gz NMGQFOVYKZZLDD-OAHLLOKOSA-N 2 0 361.873 3.182 20 0 FGADRP CSc1ccccc1NC(=O)CC[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662290707 720410367 /nfs/dbraw/zinc/41/03/67/720410367.db2.gz IMFOSSGGSPFAJW-KRWDZBQOSA-N 2 0 361.555 3.449 20 0 FGADRP [NH3+]C1(C(=O)NC[C@H](c2cccc(Cl)c2)[NH+]2CCCC2)CC2(CCC2)C1 ZINC000662680437 720452003 /nfs/dbraw/zinc/45/20/03/720452003.db2.gz YVCHPIKPTIJMQV-QGZVFWFLSA-N 2 0 361.917 3.255 20 0 FGADRP CN1CC[C@@](O)(C[NH2+][C@H]2CCCSc3ccc(Br)cc32)C1 ZINC000663448521 720515646 /nfs/dbraw/zinc/51/56/46/720515646.db2.gz ZPRDVBHUKCEUFO-GOEBONIOSA-N 2 0 371.344 3.032 20 0 FGADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]CC1(Cc2ccc(Br)cc2)CC1 ZINC000665264712 720748727 /nfs/dbraw/zinc/74/87/27/720748727.db2.gz GRIFFTFOICQBSM-JQFCIGGWSA-N 2 0 367.331 3.114 20 0 FGADRP Brc1ccc(C[NH2+][C@@H]2CC23CC[NH2+]CC3)cc1Br ZINC000666952002 721004831 /nfs/dbraw/zinc/00/48/31/721004831.db2.gz BPNSBOZYGGBYAE-CYBMUJFWSA-N 2 0 374.120 3.443 20 0 FGADRP C[N@@H+]1CCC[C@@H](CNC(=O)Nc2cccc(C[NH3+])c2)[C@H]1c1cccs1 ZINC000667727799 721165120 /nfs/dbraw/zinc/16/51/20/721165120.db2.gz JVKJDMVICURSEZ-YJBOKZPZSA-N 2 0 358.511 3.411 20 0 FGADRP CC1CC[NH+]([C@H](CNC(=O)N[C@H]2CCC[C@@H]([NH3+])C2)c2cccs2)CC1 ZINC000668644670 721325196 /nfs/dbraw/zinc/32/51/96/721325196.db2.gz GATPDDQMSWQAAN-IXDOHACOSA-N 2 0 364.559 3.090 20 0 FGADRP C[NH+]1CCC(N2CC[C@@H]([NH2+][C@@H]3CCCOc4cc(Cl)ccc43)C2)CC1 ZINC000678770863 721977760 /nfs/dbraw/zinc/97/77/60/721977760.db2.gz INQUINIOOYRPLI-VQIMIIECSA-N 2 0 363.933 3.312 20 0 FGADRP C[NH+]1CCC(N2CC[C@@H]([NH2+]CCCc3c(F)cccc3Cl)C2)CC1 ZINC000683704635 722306055 /nfs/dbraw/zinc/30/60/55/722306055.db2.gz COFMAZOONLWOJM-OAHLLOKOSA-N 2 0 353.913 3.170 20 0 FGADRP C[NH+](C)CCOc1ccc(C[NH2+]C[C@]2(C)OCCc3sccc32)cc1 ZINC000685629312 722395935 /nfs/dbraw/zinc/39/59/35/722395935.db2.gz KEKRLWKVFJDYGH-FQEVSTJZSA-N 2 0 360.523 3.266 20 0 FGADRP CC(C)[N@@H+]1CC[C@@H](C[NH2+][C@H]2C[C@H]3C[C@@H](C2)N(C(=O)OC(C)(C)C)C3)C1 ZINC000707908313 722412406 /nfs/dbraw/zinc/41/24/06/722412406.db2.gz QJNMMPWADTVEHI-XSLAGTTESA-N 2 0 351.535 3.094 20 0 FGADRP CCC[NH+]1CCC([NH2+][C@H]2C[C@H]3C[C@@H](C2)N(C(=O)OC(C)(C)C)C3)CC1 ZINC000707914016 722412443 /nfs/dbraw/zinc/41/24/43/722412443.db2.gz YACUMKRXHBDGEF-SZMVWBNQSA-N 2 0 351.535 3.238 20 0 FGADRP C[C@H]([NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000715554751 722415896 /nfs/dbraw/zinc/41/58/96/722415896.db2.gz YCEGUXKHFIMCEH-JQHSSLGASA-N 2 0 353.551 3.484 20 0 FGADRP C[NH+](C)CC(C)(C)CNC(=S)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000727079870 722441038 /nfs/dbraw/zinc/44/10/38/722441038.db2.gz VRGHCSIJRWOCNV-UHFFFAOYSA-N 2 0 368.635 3.037 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+]C[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000727467389 722444814 /nfs/dbraw/zinc/44/48/14/722444814.db2.gz VTROGIRPHLEBDP-KSZLIROESA-N 2 0 353.551 3.344 20 0 FGADRP C[C@H]1C[C@@H](N(C)C(=O)NCCCCCCC[NH+]2CCCC2)CC[N@@H+]1C ZINC000747957638 722669430 /nfs/dbraw/zinc/66/94/30/722669430.db2.gz VGWPHJBLHZCTKO-OALUTQOASA-N 2 0 352.567 3.157 20 0 FGADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H](O)CO[C@H](C)c2ccc(Cl)cc2)[C@@H](C)C1 ZINC000749345400 722725354 /nfs/dbraw/zinc/72/53/54/722725354.db2.gz AJJZYRNJYSZGIJ-JSJNYSNDSA-N 2 0 368.949 3.441 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)/C=C\c1ccc(Cl)s1 ZINC000750734337 722779483 /nfs/dbraw/zinc/77/94/83/722779483.db2.gz DFILWRDOJJHKHP-WKTRQSJXSA-N 2 0 369.962 3.289 20 0 FGADRP C[NH+]1CCC([C@H]2CC[N@H+](CN3C(=O)C[C@H]3c3ccc(Cl)cc3)C2)CC1 ZINC000755781343 722956876 /nfs/dbraw/zinc/95/68/76/722956876.db2.gz VCRDEKFEDFVMJT-HKUYNNGSSA-N 2 0 361.917 3.235 20 0 FGADRP CC(C)(C)OC(=O)NC(C)(C)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000761201459 723132750 /nfs/dbraw/zinc/13/27/50/723132750.db2.gz AIFPRBPLHLKPMT-NVXWUHKLSA-N 2 0 351.535 3.238 20 0 FGADRP CC(C)(C)OC(=O)NC(C)(C)C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000761201457 723132821 /nfs/dbraw/zinc/13/28/21/723132821.db2.gz AIFPRBPLHLKPMT-DOTOQJQBSA-N 2 0 351.535 3.238 20 0 FGADRP CCOC(=O)C(F)(F)[C@@H]1CCC[C@@H]([NH2+]CC(C)(C)C[NH+]2CCCC2)C1 ZINC000790749134 723173519 /nfs/dbraw/zinc/17/35/19/723173519.db2.gz CXWSHUWLCUXDLD-HZPDHXFCSA-N 2 0 360.489 3.455 20 0 FGADRP C[NH+](C)CCCOc1ccc(C[NH2+][C@@H]2CC[C@H]3SCCS[C@H]23)cc1 ZINC000762613952 723262437 /nfs/dbraw/zinc/26/24/37/723262437.db2.gz LHVATTOBIWLSRZ-GUDVDZBRSA-N 2 0 366.596 3.486 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@](C)(O)c2ccccc2Cl)[C@@H](C)C1 ZINC000765806413 723542051 /nfs/dbraw/zinc/54/20/51/723542051.db2.gz CCFKJKYEGPYQBS-VDGAXYAQSA-N 2 0 368.949 3.274 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@](C)(O)c2cccc(Cl)c2)[C@H](C)C1 ZINC000765817702 723542738 /nfs/dbraw/zinc/54/27/38/723542738.db2.gz PQLOFULBBCGVQP-LSTHTHJFSA-N 2 0 368.949 3.274 20 0 FGADRP CC[N@@H+]1C[C@@H](C)N(C(=O)NCCCCCCC[NH+]2CCCC2)C[C@@H]1C ZINC000766251773 723564517 /nfs/dbraw/zinc/56/45/17/723564517.db2.gz FIEUNJIRSBNXLV-RBUKOAKNSA-N 2 0 352.567 3.157 20 0 FGADRP C[C@@H](C[NH2+]CCCN1CCC[N@H+](C)CC1)c1cccc(Br)c1 ZINC000767353720 723615907 /nfs/dbraw/zinc/61/59/07/723615907.db2.gz YIHFVPCHUAUCAI-INIZCTEOSA-N 2 0 368.363 3.170 20 0 FGADRP CC(C)COC(=O)N1CCC([NH2+]CCC[N@H+](C)C2CCCCC2)CC1 ZINC000796678583 723649922 /nfs/dbraw/zinc/64/99/22/723649922.db2.gz JDRIUEAAXAZOTM-UHFFFAOYSA-N 2 0 353.551 3.488 20 0 FGADRP C[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)Oc1ccc(Br)cc1 ZINC000774200058 723868336 /nfs/dbraw/zinc/86/83/36/723868336.db2.gz FGBNGBJGIWGQCP-OHRKKDJYSA-N 2 0 353.304 3.431 20 0 FGADRP CC(C)(C)OC(=O)NCCC[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000774834851 723934333 /nfs/dbraw/zinc/93/43/33/723934333.db2.gz JPJXHDRWVOMVGR-UHFFFAOYSA-N 2 0 353.551 3.489 20 0 FGADRP COc1ccc([C@H](C)[NH2+][C@H](C)CC[S@](C)=O)cc1C[NH+]1CCCCC1 ZINC000775416890 723989747 /nfs/dbraw/zinc/98/97/47/723989747.db2.gz ZLOMAQOHAJTBIG-YPBQGGFRSA-N 2 0 366.571 3.489 20 0 FGADRP C[NH+]1CCC(C[NH+]2CCN(Cc3cccc(C(F)(F)F)c3)CC2)CC1 ZINC000788471394 725066117 /nfs/dbraw/zinc/06/61/17/725066117.db2.gz RTNLQFFEUPENSM-UHFFFAOYSA-N 2 0 355.448 3.165 20 0 FGADRP C[NH+](C)CCOc1ccc(CC[NH2+][C@H]2CCc3ccc(Cl)nc32)cc1 ZINC000788595735 725074702 /nfs/dbraw/zinc/07/47/02/725074702.db2.gz VLMWRHUYMNWWHR-SFHVURJKSA-N 2 0 359.901 3.495 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+]Cc2cnc(C3OCCO3)s2)C1 ZINC000809606288 725251588 /nfs/dbraw/zinc/25/15/88/725251588.db2.gz OUFWAZOURAGZHO-GASCZTMLSA-N 2 0 353.532 3.036 20 0 FGADRP CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)NCCCCCCC[NH+]2CCCC2)C1 ZINC000810195772 725296156 /nfs/dbraw/zinc/29/61/56/725296156.db2.gz DQPJJBSOUDFBCT-FQEVSTJZSA-N 2 0 355.542 3.361 20 0 FGADRP C[C@@H]1CC[C@H]1[NH2+]C1CCC([NH+]2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000812744479 726807168 /nfs/dbraw/zinc/80/71/68/726807168.db2.gz GZXFRVRIMWJLCQ-AQEOSJORSA-N 2 0 351.535 3.238 20 0 FGADRP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C[C@@H](O)c1cccc(Br)c1 ZINC000817930138 727288124 /nfs/dbraw/zinc/28/81/24/727288124.db2.gz XYNQXEQLSDGGHK-IAOVAPTHSA-N 2 0 355.320 3.383 20 0 FGADRP O[C@@H](C[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1ccc(Cl)cc1 ZINC000817931129 727288452 /nfs/dbraw/zinc/28/84/52/727288452.db2.gz IJZIKWCTOXIXHD-HBFSDRIKSA-N 2 0 358.869 3.219 20 0 FGADRP CCC[N@@H+]1CC[C@@H](C[NH2+]C[C@@](C)(O)c2ccc(Br)cc2F)C1 ZINC000818981490 727334097 /nfs/dbraw/zinc/33/40/97/727334097.db2.gz VGXYKJGWYRNLLB-SUMWQHHRSA-N 2 0 373.310 3.117 20 0 FGADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+]C[C@H](O)c2ccc(Br)cc2)C1 ZINC000818985782 727334754 /nfs/dbraw/zinc/33/47/54/727334754.db2.gz VYEOARFCKIYSJR-PBHICJAKSA-N 2 0 355.320 3.193 20 0 FGADRP C[NH+](C)CC[C@H]([NH2+]C[C@H](O)c1cccc(Br)c1)C(C)(C)C ZINC000819083240 727345879 /nfs/dbraw/zinc/34/58/79/727345879.db2.gz YJVBTXKJASAUOH-HOTGVXAUSA-N 2 0 357.336 3.439 20 0 FGADRP CC[NH+]1CCC(CC[NH2+]C[C@@H](O)c2ccc(F)c(Br)c2)CC1 ZINC000819106891 727348447 /nfs/dbraw/zinc/34/84/47/727348447.db2.gz RJSCMICFLJPCFJ-QGZVFWFLSA-N 2 0 373.310 3.333 20 0 FGADRP C[C@@H]([NH2+]C[C@](C)(O)c1ccc(Br)cc1F)C1=CC[N@H+](C)CC1 ZINC000819220381 727359315 /nfs/dbraw/zinc/35/93/15/727359315.db2.gz NKUYDHSQIXIJQN-PXAZEXFGSA-N 2 0 371.294 3.036 20 0 FGADRP CC(C)[NH+]1CCC([NH2+]C[C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)CC1 ZINC000823614386 729292584 /nfs/dbraw/zinc/29/25/84/729292584.db2.gz PVAOTZOVAARBRM-IAGOWNOFSA-N 2 0 353.551 3.484 20 0 FGADRP CC(C)[C@H](CNC(=O)OC(C)(C)C)C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000823671722 729297596 /nfs/dbraw/zinc/29/75/96/729297596.db2.gz UIPDRLBRPKFCAO-KRWDZBQOSA-N 2 0 353.551 3.247 20 0 FGADRP CCCC[NH+]1CCC([NH2+]C[C@]23C[C@H]2CN(C(=O)OC(C)(C)C)C3)CC1 ZINC000823716773 729300737 /nfs/dbraw/zinc/30/07/37/729300737.db2.gz QIQOSWPBESAIAJ-JXFKEZNVSA-N 2 0 351.535 3.098 20 0 FGADRP C[C@@H]1C[C@H](C[NH2+][C@H]2CCC[C@@H]([NH+](C)C)C2)CCN1C(=O)OC(C)(C)C ZINC000823961934 729314206 /nfs/dbraw/zinc/31/42/06/729314206.db2.gz ZNTUCJZKLQSCST-ZJPYXAASSA-N 2 0 353.551 3.484 20 0 FGADRP CC(C)[N@H+](C)CC1CC[NH+](C[C@@H]2CN(C3CCCCC3)C(=O)O2)CC1 ZINC000827870593 729436254 /nfs/dbraw/zinc/43/62/54/729436254.db2.gz LCRYMUUBAQWKIW-LJQANCHMSA-N 2 0 351.535 3.192 20 0 FGADRP CC(C)[N@H+](C)CC1CC[NH+](C[C@H]2CN(C3CCCCC3)C(=O)O2)CC1 ZINC000827870592 729436284 /nfs/dbraw/zinc/43/62/84/729436284.db2.gz LCRYMUUBAQWKIW-IBGZPJMESA-N 2 0 351.535 3.192 20 0 FGADRP C[C@@H]([NH2+]C1CC[NH+](CC2CC2)CC1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000834519396 729809548 /nfs/dbraw/zinc/80/95/48/729809548.db2.gz TYUUJJZTJSMEFF-CRAIPNDOSA-N 2 0 351.535 3.238 20 0 FGADRP CC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000834895101 729844695 /nfs/dbraw/zinc/84/46/95/729844695.db2.gz YRKVBFWIFCJFOY-KKGYMGPXSA-N 2 0 351.535 3.379 20 0 FGADRP Cc1ccc(-n2c(Cl)c(C[NH2+]C3CCC([NH3+])CC3)nc2N(C)C)cc1 ZINC000843105126 730585645 /nfs/dbraw/zinc/58/56/45/730585645.db2.gz QPGHWVQVASKUDN-UHFFFAOYSA-N 2 0 361.921 3.260 20 0 FGADRP O=C(C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1)Nc1ccc(SC(F)F)cc1 ZINC000843388737 730612755 /nfs/dbraw/zinc/61/27/55/730612755.db2.gz WYPFNLXNCOIRFL-KBPBESRZSA-N 2 0 369.481 3.261 20 0 FGADRP [NH3+]CCCCCC[N@@H+]1CCC[C@@H](CNC(=O)Nc2cccc(F)c2)C1 ZINC000846218850 730937423 /nfs/dbraw/zinc/93/74/23/730937423.db2.gz YWWWMWSHQFJNSS-INIZCTEOSA-N 2 0 350.482 3.178 20 0 FGADRP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCC2(CN(C(=O)OC(C)(C)C)C2)CC1 ZINC000847016504 731007081 /nfs/dbraw/zinc/00/70/81/731007081.db2.gz ZBCTWMLCJONFSM-QGZVFWFLSA-N 2 0 351.535 3.194 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1c(C)cc(Br)cc1C ZINC000849073299 731226070 /nfs/dbraw/zinc/22/60/70/731226070.db2.gz GHDKLIFSEWBXDM-HNNXBMFYSA-N 2 0 367.335 3.164 20 0 FGADRP CC(C)[N@@H+]1CCC[C@@H](CNC(=[NH2+])NCc2cccc(C(F)(F)F)c2)C1 ZINC000849091183 731228047 /nfs/dbraw/zinc/22/80/47/731228047.db2.gz XWFWSIRVJVOPPS-HNNXBMFYSA-N 2 0 356.436 3.440 20 0 FGADRP Cc1ncsc1C[NH+]1CC[C@H](Oc2ccnc(C[N@@H+](C)C(C)C)c2)C1 ZINC000856559801 732038986 /nfs/dbraw/zinc/03/89/86/732038986.db2.gz JHXQYZPBCZXJJY-SFHVURJKSA-N 2 0 360.527 3.340 20 0 FGADRP Cc1cc(C[NH2+]CCCN2CCC[N@@H+](C)CC2)c(Br)cc1F ZINC000858126643 732183282 /nfs/dbraw/zinc/18/32/82/732183282.db2.gz FATWOZDRDUIQPR-UHFFFAOYSA-N 2 0 372.326 3.014 20 0 FGADRP Cn1cc(C[NH2+]C2CCC([NH+]3CCCCC3)CC2)c(Br)n1 ZINC000858148848 732186114 /nfs/dbraw/zinc/18/61/14/732186114.db2.gz NVXOISXNMHNNIO-UHFFFAOYSA-N 2 0 355.324 3.069 20 0 FGADRP CC[N@@H+]1CC[C@H]([NH2+][C@H]2CCN(C(=O)OC(C)(C)C)C23CCC3)[C@@H](C)C1 ZINC000858477033 732219027 /nfs/dbraw/zinc/21/90/27/732219027.db2.gz TULQIKXTZHQPEN-ULQDDVLXSA-N 2 0 351.535 3.238 20 0 FGADRP Cc1ccccc1SC[C@H](C)C[NH+]1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000859193234 732288185 /nfs/dbraw/zinc/28/81/85/732288185.db2.gz RZARSUCNDPAYPE-UYAOXDASSA-N 2 0 361.599 3.435 20 0 FGADRP C[C@H](C[NH2+][C@@H](C)c1cc2c(ccnc2Cl)o1)CN1CC[NH+](C)CC1 ZINC000866260594 733330340 /nfs/dbraw/zinc/33/03/40/733330340.db2.gz VSUFXAMVQWNHJL-KGLIPLIRSA-N 2 0 350.894 3.015 20 0 FGADRP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]C[C@@H]3CC4(CO3)CCOCC4)CC2)C1 ZINC000866532429 733361778 /nfs/dbraw/zinc/36/17/78/733361778.db2.gz LNEXXMCUUWTNHU-RLLQIKCJSA-N 2 0 350.547 3.205 20 0 FGADRP CCOC(=O)c1sc(C2CC[NH+](CC[C@@H]3CCC[NH2+]C3)CC2)nc1C ZINC000866715796 733387540 /nfs/dbraw/zinc/38/75/40/733387540.db2.gz VDPPZGTVINQHMZ-HNNXBMFYSA-N 2 0 365.543 3.197 20 0 FGADRP CCCc1sc(C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)cc1CC ZINC000870024033 733802535 /nfs/dbraw/zinc/80/25/35/733802535.db2.gz HROHUKMLECDXDA-IAGOWNOFSA-N 2 0 365.587 3.074 20 0 FGADRP C[C@@H]([NH2+]Cc1nc(-c2cccc(Br)c2)c[nH]1)C1CC[NH2+]CC1 ZINC000873221344 735739525 /nfs/dbraw/zinc/73/95/25/735739525.db2.gz QUNPOCQGINQAAY-GFCCVEGCSA-N 2 0 363.303 3.317 20 0 FGADRP CC(=O)N(c1nc(C[NH2+][C@@H]2CCCCC23CC[NH2+]CC3)cs1)C1CC1 ZINC000873232164 735740681 /nfs/dbraw/zinc/74/06/81/735740681.db2.gz ALNDVDIZXOMXOE-QGZVFWFLSA-N 2 0 362.543 3.060 20 0 FGADRP [NH3+]Cc1cn(-c2cccc(C[NH2+][C@H]3CCSc4ccccc43)c2)nn1 ZINC000873247332 735743196 /nfs/dbraw/zinc/74/31/96/735743196.db2.gz LAMFQNWKDSMWDQ-SFHVURJKSA-N 2 0 351.479 3.053 20 0 FGADRP COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000873260327 735744397 /nfs/dbraw/zinc/74/43/97/735744397.db2.gz YLMXJINFJUFGJV-UGQVUOCMSA-N 2 0 365.905 3.186 20 0 FGADRP COC(=O)c1ccc(C[NH2+]CC2(C)CC[NH+](C)CC2)cc1Br ZINC000877182579 736196157 /nfs/dbraw/zinc/19/61/57/736196157.db2.gz OJNKFCPHKMPYHH-UHFFFAOYSA-N 2 0 369.303 3.057 20 0 FGADRP Cc1cc(C[NH+]2CC[C@H](Oc3ccnc(C[N@@H+](C)C(C)C)c3)C2)sn1 ZINC000877645581 736699404 /nfs/dbraw/zinc/69/94/04/736699404.db2.gz PFFLHVWFNUTTSZ-SFHVURJKSA-N 2 0 360.527 3.340 20 0 FGADRP CC1CC[NH+](C[C@@H]2CCC[N@H+](C[C@H]3CCC4(CCOCC4)O3)C2)CC1 ZINC000878017776 736758746 /nfs/dbraw/zinc/75/87/46/736758746.db2.gz NPWXXNIZKUIKPT-VQTJNVASSA-N 2 0 350.547 3.159 20 0 FGADRP CC[NH+](CC)CCCC1CC[NH+](C[C@@H]2CC3(CO2)CCOCC3)CC1 ZINC000878401104 736824762 /nfs/dbraw/zinc/82/47/62/736824762.db2.gz OJUVFSOEPZVIPX-FQEVSTJZSA-N 2 0 352.563 3.406 20 0 FGADRP CC(C)CC[NH+]1CCC(C[NH2+]Cc2c3c(nn2C)CCSC3)CC1 ZINC000883031269 737514374 /nfs/dbraw/zinc/51/43/74/737514374.db2.gz PMTYIWGYTXCANK-UHFFFAOYSA-N 2 0 350.576 3.057 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=S)NC[C@@H]1CCC[N@@H+]1CC)c1ccccc1 ZINC000884346843 737657482 /nfs/dbraw/zinc/65/74/82/737657482.db2.gz CFLVOKZWVGGLKJ-RBUKOAKNSA-N 2 0 362.587 3.018 20 0 FGADRP C([NH2+][C@@H]1CCOC2(CCOCC2)C1)C1([NH+]2CCCCC2)CCCCC1 ZINC000885898801 739197785 /nfs/dbraw/zinc/19/77/85/739197785.db2.gz XZSYEOPQYDXIOA-LJQANCHMSA-N 2 0 350.547 3.493 20 0 FGADRP C[NH+](C)[C@]1(CN[C@@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)CCSC1 ZINC000886536501 739265237 /nfs/dbraw/zinc/26/52/37/739265237.db2.gz IYGUISALVYFKRI-WOZUAGRISA-N 2 0 359.583 3.066 20 0 FGADRP CC1([NH+]2CCCC2)CCC([NH2+]Cc2ccc(S(C)(=O)=O)s2)CC1 ZINC000886596373 739273514 /nfs/dbraw/zinc/27/35/14/739273514.db2.gz CYDQQRNUNUWEBJ-UHFFFAOYSA-N 2 0 356.557 3.038 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@]2(C)CCOC3(CCC3)C2)[C@@H](C)C1 ZINC000886774879 739296861 /nfs/dbraw/zinc/29/68/61/739296861.db2.gz XHMYVLDSNRUOSX-SLFFLAALSA-N 2 0 352.563 3.452 20 0 FGADRP C[NH+]1CCC2(CCC[N@H+](C[C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)C2)CC1 ZINC000894232967 742256358 /nfs/dbraw/zinc/25/63/58/742256358.db2.gz NMGDHZTZFFUKBJ-CALCHBBNSA-N 2 0 351.535 3.098 20 0 FGADRP CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1[C@@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)C2 ZINC000898074441 742742220 /nfs/dbraw/zinc/74/22/20/742742220.db2.gz RAFOQNHGKHDUMW-IKGGRYGDSA-N 2 0 351.535 3.379 20 0 FGADRP CCc1nnc(C[NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)s1 ZINC000898517599 742804329 /nfs/dbraw/zinc/80/43/29/742804329.db2.gz RMICWAJGFGHJQX-FGTMMUONSA-N 2 0 356.539 3.491 20 0 FGADRP [NH3+]CCCC[C@@H]([NH2+][C@H]1CCN(CC(F)(F)F)C1)c1ccc(F)cc1F ZINC000902334470 743733966 /nfs/dbraw/zinc/73/39/66/743733966.db2.gz FLJXXNYOODTBCI-XJKSGUPXSA-N 2 0 365.390 3.361 20 0 FGADRP CCc1nc(CN2CCC(C[NH2+][C@@H]3CC[NH2+]CC(C)(C)C3)CC2)cs1 ZINC000902349212 743735272 /nfs/dbraw/zinc/73/52/72/743735272.db2.gz XMUWPQMAUNZZBE-QGZVFWFLSA-N 2 0 364.603 3.285 20 0 FGADRP CC[NH+]1CCN(CCCC[NH2+][C@@H](C)c2ccc(C(F)(F)F)cn2)CC1 ZINC000902744673 743772236 /nfs/dbraw/zinc/77/22/36/743772236.db2.gz FCVCAGLUKBNEHM-HNNXBMFYSA-N 2 0 358.452 3.169 20 0 FGADRP O[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)c1ccccc1C(F)(F)F ZINC000903082328 743802960 /nfs/dbraw/zinc/80/29/60/743802960.db2.gz YQOWCEGSBKEYCY-SDJXIENJSA-N 2 0 354.416 3.486 20 0 FGADRP C[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]CC2CCC(S(C)(=O)=O)CC2)CC1 ZINC000903155788 743813904 /nfs/dbraw/zinc/81/39/04/743813904.db2.gz HZIPXIFFXCWWKW-KTLDDFEXSA-N 2 0 370.603 3.223 20 0 FGADRP c1csc(-c2nc(CN3C[C@H]4CC[C@@H](C3)[N@H+]4C3CC[NH2+]CC3)cs2)c1 ZINC000903508719 743857385 /nfs/dbraw/zinc/85/73/85/743857385.db2.gz SHJGUCQOGRHPJO-CALCHBBNSA-N 2 0 374.579 3.272 20 0 FGADRP Clc1ccccc1OC1CC[NH+](C[C@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000903752626 743881190 /nfs/dbraw/zinc/88/11/90/743881190.db2.gz ORMTWCQIEHWZPQ-QGZVFWFLSA-N 2 0 364.917 3.342 20 0 FGADRP Cc1cccc(C[NH+]2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)c1Br ZINC000903761575 743881331 /nfs/dbraw/zinc/88/13/31/743881331.db2.gz WICYGNQTJNNFIP-IRXDYDNUSA-N 2 0 367.331 3.476 20 0 FGADRP FC(F)(F)c1ccnc([C@@H]2CC[N@H+](Cc3cc4c(s3)CC[NH2+]C4)C2)n1 ZINC000904461520 743956700 /nfs/dbraw/zinc/95/67/00/743956700.db2.gz CLPWGTBJRUUGBU-LLVKDONJSA-N 2 0 368.428 3.192 20 0 FGADRP C[NH+](C)Cc1ccc(-c2cccc(OCC[NH+]3CCC(O)CC3)c2)s1 ZINC000904864561 743981437 /nfs/dbraw/zinc/98/14/37/743981437.db2.gz KJIURABVTVKSAJ-UHFFFAOYSA-N 2 0 360.523 3.312 20 0 FGADRP C[C@@H]1C[N@H+](CCC[NH2+]C[C@@H](O)c2ccc(Cl)c(Cl)c2)CCCO1 ZINC000905230598 744004623 /nfs/dbraw/zinc/00/46/23/744004623.db2.gz GHUJHLMNGVXHTK-CXAGYDPISA-N 2 0 361.313 3.117 20 0 FGADRP Cc1cc(C[NH+]2CCC[C@H](N(C)C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)cs1 ZINC000948384867 762326853 /nfs/dbraw/zinc/32/68/53/762326853.db2.gz GPDSZNHFLAEUCT-NZSAHSFTSA-N 2 0 363.571 3.210 20 0 FGADRP C[C@@H]([NH3+])c1ccc(NC(=O)C[C@H]([NH3+])Cc2cc(F)c(F)cc2F)cc1 ZINC000911849203 757221517 /nfs/dbraw/zinc/22/15/17/757221517.db2.gz YPVTZXLCFUEFRN-ZWNOBZJWSA-N 2 0 351.372 3.022 20 0 FGADRP CC(C)[C@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1csc(Br)c1)C2 ZINC000922386058 758909298 /nfs/dbraw/zinc/90/92/98/758909298.db2.gz DZKZXSQLQFMUKN-RRCSTGOVSA-N 2 0 373.360 3.080 20 0 FGADRP Cn1nc(Br)cc1C[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000922505984 758940036 /nfs/dbraw/zinc/94/00/36/758940036.db2.gz WKDLCGSXRUNECW-UHFFFAOYSA-N 2 0 355.324 3.069 20 0 FGADRP c1csc(C[N@@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@@H]2CC23CC[NH2+]CC3)n1 ZINC000923347553 759103761 /nfs/dbraw/zinc/10/37/61/759103761.db2.gz SCHFUCMXIWNOQV-HQSKLWIPSA-N 3 0 360.571 3.008 20 0 FGADRP Cc1nc(C[N@@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)sc1C(C)(C)C ZINC000923390913 759110113 /nfs/dbraw/zinc/11/01/13/759110113.db2.gz ZOSSUGPXLCOAPP-ARFHVFGLSA-N 2 0 351.560 3.467 20 0 FGADRP Cc1nccn1C[C@H](C)C[NH2+][C@@H](C)c1nc(Br)ccc1F ZINC000924950331 759421133 /nfs/dbraw/zinc/42/11/33/759421133.db2.gz JKBODLOLALBOLC-MNOVXSKESA-N 2 0 355.255 3.475 20 0 FGADRP C[NH+](C)CCCC(C)(C)NC(=O)NC1CCC(C)([NH+]2CCCC2)CC1 ZINC000925055888 759439497 /nfs/dbraw/zinc/43/94/97/759439497.db2.gz YKRKLMYVPDXRLU-UHFFFAOYSA-N 2 0 352.567 3.203 20 0 FGADRP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@@H]2CCN(c3cccc(Br)c3)C2)C12CCC2 ZINC000925561784 759504860 /nfs/dbraw/zinc/50/48/60/759504860.db2.gz FHCPVQWDFZEWGG-IAOVAPTHSA-N 2 0 364.331 3.135 20 0 FGADRP Brc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CC[C@@H]3C[NH2+]C[C@H]3C1)CCO2 ZINC000925824992 759552728 /nfs/dbraw/zinc/55/27/28/759552728.db2.gz FOGYCMIHLNTJLI-NCZKRNLISA-N 2 0 351.288 3.250 20 0 FGADRP C[C@H]([NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000925849734 759557292 /nfs/dbraw/zinc/55/72/92/759557292.db2.gz KSZJHKILBHPHNP-RFQIPJPRSA-N 2 0 368.930 3.168 20 0 FGADRP O=C1O[C@H](C[NH2+][C@H]2CC[C@@H](c3cccc(Cl)c3)C2)CC12CC[NH2+]CC2 ZINC000925852073 759558141 /nfs/dbraw/zinc/55/81/41/759558141.db2.gz ZTTLVPYHOAOANT-NJAFHUGGSA-N 2 0 362.901 3.251 20 0 FGADRP CC(C)[NH+]1CCC(CC[NH2+]C2CC(CNC(=O)OC(C)(C)C)C2)CC1 ZINC000926788506 759822118 /nfs/dbraw/zinc/82/21/18/759822118.db2.gz DVLYBQASXXXDPS-UHFFFAOYSA-N 2 0 353.551 3.390 20 0 FGADRP FC(F)(F)[C@@H]1CCC[C@H](C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)O1 ZINC000929762129 760451038 /nfs/dbraw/zinc/45/10/38/760451038.db2.gz DPAVEXHLRGTOIK-SJORKVTESA-N 2 0 364.452 3.063 20 0 FGADRP C[C@@H]1[C@H](C(=O)N2CC[C@@H]([NH2+]Cc3ccc(Cl)c(Cl)c3)C2)CC[N@@H+]1C ZINC000968728348 762842022 /nfs/dbraw/zinc/84/20/22/762842022.db2.gz KGJQHORYRSEDSR-BPLDGKMQSA-N 2 0 370.324 3.024 20 0 FGADRP Cc1cc(C[NH+]2CCCCC[C@@H]2CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cs1 ZINC000968864623 762843945 /nfs/dbraw/zinc/84/39/45/762843945.db2.gz ZCBVVEJBLBOJEZ-BHIYHBOVSA-N 2 0 363.571 3.258 20 0 FGADRP CC[C@@H]1[C@@H](C(=O)N(C)C2CC[NH+](Cc3csc(C)c3)CC2)CC[N@@H+]1C ZINC001005416281 765469001 /nfs/dbraw/zinc/46/90/01/765469001.db2.gz SELIGOIUWCPIRP-RBUKOAKNSA-N 2 0 363.571 3.210 20 0 FGADRP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CC[NH+](Cc3ccc(Cl)cc3C)C2)CC[N@@H+]1C ZINC001014507870 765787068 /nfs/dbraw/zinc/78/70/68/765787068.db2.gz LPKHKXRWERDJAC-CEXWTWQISA-N 2 0 363.933 3.069 20 0 FGADRP Cc1cc(C[NH+]2CCCC[C@@H]2CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c(C)s1 ZINC001024446581 766053474 /nfs/dbraw/zinc/05/34/74/766053474.db2.gz GLCCXEBFFVBGSV-ATZDWAIDSA-N 2 0 363.571 3.176 20 0 FGADRP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CC[NH+](Cc3cccc(Cl)c3)C2)CC[N@@H+]1C ZINC001028552125 766124294 /nfs/dbraw/zinc/12/42/94/766124294.db2.gz HIJQKOOPVZPWLH-YTQUADARSA-N 2 0 363.933 3.008 20 0 FGADRP Cc1cc(Cl)ccc1C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001045043580 766504619 /nfs/dbraw/zinc/50/46/19/766504619.db2.gz HYLDLNJJWNVFRI-AYOQOUSVSA-N 2 0 363.933 3.069 20 0 FGADRP CC[C@@H]1[C@@H](C(=O)N[C@]2(C)CC[NH+](Cc3ccccc3Cl)C2)CC[N@@H+]1C ZINC001046329696 766584518 /nfs/dbraw/zinc/58/45/18/766584518.db2.gz CKUAXEWELLEORE-ILZDJORESA-N 2 0 363.933 3.151 20 0 FGADRP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]3[C@H]2CC[NH+]3Cc2ccsc2)CC[N@@H+]1C ZINC001049483490 766786372 /nfs/dbraw/zinc/78/63/72/766786372.db2.gz XRYXAXXHBGXZRD-WJFTUGDTSA-N 2 0 361.555 3.044 20 0 FGADRP Cc1cc(C[NH+]2CCC[C@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)c(C)s1 ZINC001052393595 766899561 /nfs/dbraw/zinc/89/95/61/766899561.db2.gz PBQLSDYFIZRVEJ-AYOQOUSVSA-N 2 0 363.571 3.176 20 0 FGADRP C[C@H](CNC(=O)NC1CC[NH+](Cc2ccccc2)CC1)C[NH+]1CCCCC1 ZINC000056343936 221080341 /nfs/dbraw/zinc/08/03/41/221080341.db2.gz CQMUBOZNIXMMMU-LJQANCHMSA-N 2 0 372.557 3.072 20 0 FGADRP CC[N@@H+]1CC[C@H](C[NH2+]Cc2cccc(NC(=O)c3ccc(OC)cc3)c2)C1 ZINC000048745018 257344391 /nfs/dbraw/zinc/34/43/91/257344391.db2.gz VGYQUOPXNHCRFQ-GOSISDBHSA-N 2 0 367.493 3.379 20 0 FGADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+][C@H]1CCc2cc(Br)ccc21 ZINC000274617264 257374295 /nfs/dbraw/zinc/37/42/95/257374295.db2.gz LNKGDTAMPJCTGS-KSSFIOAISA-N 2 0 366.347 3.052 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCOC3(CCSCC3)C2)[C@@H](C)C1 ZINC000536848872 503739672 /nfs/dbraw/zinc/73/96/72/503739672.db2.gz YMIRATWKUISEQZ-OTWHNJEPSA-N 2 0 370.603 3.158 20 0 FGADRP CC[NH+](CC)[C@@H](C(=O)N1CCC([C@@H]2[NH2+]CC2(C)C)CC1)c1ccccc1 ZINC000579590104 505581932 /nfs/dbraw/zinc/58/19/32/505581932.db2.gz IYLQBHBXGJXSIG-UXHICEINSA-N 2 0 357.542 3.306 20 0 FGADRP c1ccc(C[N@H+]2C[C@H](C[NH2+]C[C@H]3CCSC3)C3(C2)CCOCC3)cc1 ZINC000573746174 505609874 /nfs/dbraw/zinc/60/98/74/505609874.db2.gz PSJKFYPVVHFULD-UXHICEINSA-N 2 0 360.567 3.258 20 0 FGADRP C[NH+](C)[C@@H]1CCc2cc(NC(=O)N[C@@H]3C[NH2+]C[C@H]3c3ccccc3)ccc21 ZINC000579810372 505626134 /nfs/dbraw/zinc/62/61/34/505626134.db2.gz DRIIGVQRSSIKCH-PWRODBHTSA-N 2 0 364.493 3.113 20 0 FGADRP OC[C@H]1CCC[N@@H+]1CCCC[NH2+][C@@H]1CCN(Cc2ccccc2)C2(CC2)C1 ZINC000579836224 505629504 /nfs/dbraw/zinc/62/95/04/505629504.db2.gz FUGLWPBKPYPYCM-FGZHOGPDSA-N 3 0 371.569 3.010 20 0 FGADRP CC(C)C[NH+]1CCC([NH2+]C[C@H](O)COc2ccccc2C(F)(F)F)CC1 ZINC000573834251 505631638 /nfs/dbraw/zinc/63/16/38/505631638.db2.gz ULFOKJOIUWHLOD-INIZCTEOSA-N 2 0 374.447 3.155 20 0 FGADRP CC(C)[NH+]1CCC([NH2+]CCC(=O)Nc2cccc(C(F)(F)F)c2)CC1 ZINC000576980603 505637858 /nfs/dbraw/zinc/63/78/58/505637858.db2.gz RBTPTLNIYMGMOK-UHFFFAOYSA-N 2 0 357.420 3.496 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)c1ccc2c[nH+]cn2c1)Cc1ccccc1 ZINC000568227560 505648502 /nfs/dbraw/zinc/64/85/02/505648502.db2.gz MAPYXIBOBIOJBP-FQEVSTJZSA-N 2 0 350.466 3.017 20 0 FGADRP CC(C)C[C@H](CNC(=O)[C@@H]1CC12CC[NH2+]CC2)[NH2+][C@H](C)c1ccccc1 ZINC000573917202 505650950 /nfs/dbraw/zinc/65/09/50/505650950.db2.gz OTOVXNKOASXYCT-RLLQIKCJSA-N 2 0 357.542 3.258 20 0 FGADRP Cc1cc(C[NH3+])cc(NC(=O)N2CC[C@H]([N@H+](C)CCc3ccccc3)C2)c1 ZINC000568282166 505658630 /nfs/dbraw/zinc/65/86/30/505658630.db2.gz PXXZVMSXHZWWMP-NRFANRHFSA-N 2 0 366.509 3.234 20 0 FGADRP CC(C)[N@H+](C)CC1CCN(C(=O)NC[C@@H](C)[NH+](C)Cc2ccccc2)CC1 ZINC000580111029 505679639 /nfs/dbraw/zinc/67/96/39/505679639.db2.gz NENIMLBONFHYAG-LJQANCHMSA-N 2 0 374.573 3.269 20 0 FGADRP COc1ccc(C[NH+]2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)c(Cl)c1OC ZINC000577162291 505676984 /nfs/dbraw/zinc/67/69/84/505676984.db2.gz XODUYBWTWJLDAX-WBVHZDCISA-N 2 0 368.905 3.076 20 0 FGADRP CC(C)N(Cc1ccccc1)C(=O)C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000047969079 493766748 /nfs/dbraw/zinc/76/67/48/493766748.db2.gz FCHDUSOGWSHIQL-UHFFFAOYSA-N 2 0 357.542 3.231 20 0 FGADRP c1ccc2c(c1)cccc2OCC[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000068412801 493815048 /nfs/dbraw/zinc/81/50/48/493815048.db2.gz NJISHQLJGSCLLV-UHFFFAOYSA-N 2 0 354.494 3.263 20 0 FGADRP CC[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000030145059 493877848 /nfs/dbraw/zinc/87/78/48/493877848.db2.gz ASNHDFFNHGVXKQ-RBUKOAKNSA-N 2 0 357.542 3.278 20 0 FGADRP CC[NH+](CC)CCNC(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000060566519 493945083 /nfs/dbraw/zinc/94/50/83/493945083.db2.gz LDNQCZQHYDTIGX-UHFFFAOYSA-N 2 0 360.546 3.204 20 0 FGADRP CC[N@H+](C)Cc1cccc(CNC(=O)NCCC[NH2+]C2CCCCC2)c1 ZINC000061794633 493995049 /nfs/dbraw/zinc/99/50/49/493995049.db2.gz ZJFYKWBWZVSYCI-UHFFFAOYSA-N 2 0 360.546 3.250 20 0 FGADRP CC[NH+](CC)CCOc1ccc(C[NH2+]Cc2cccc(O)c2)cc1OC ZINC000069750044 494006810 /nfs/dbraw/zinc/00/68/10/494006810.db2.gz BJHFEGMVODFRBQ-UHFFFAOYSA-N 2 0 358.482 3.411 20 0 FGADRP CCC1CC[NH+](CC(=O)NC2CC[NH+](Cc3ccccc3C)CC2)CC1 ZINC000052280279 494015765 /nfs/dbraw/zinc/01/57/65/494015765.db2.gz NZULWADFLHMUDS-UHFFFAOYSA-N 2 0 357.542 3.198 20 0 FGADRP O=C(Nc1ccn(-c2cc[nH+]cc2)n1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000071039847 494082211 /nfs/dbraw/zinc/08/22/11/494082211.db2.gz JRBITQPWIBBTMH-GOSISDBHSA-N 2 0 361.449 3.118 20 0 FGADRP CC1CC[NH+](CCCCNC(=O)NCCC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000071923568 494108678 /nfs/dbraw/zinc/10/86/78/494108678.db2.gz ICFOGGIBCRVDGX-LJQANCHMSA-N 2 0 352.567 3.062 20 0 FGADRP C[NH+](C)CCC1CC[NH+](CCOc2cccc(Br)c2)CC1 ZINC000071997645 494114124 /nfs/dbraw/zinc/11/41/24/494114124.db2.gz KURGHVMPMSQMAF-UHFFFAOYSA-N 2 0 355.320 3.492 20 0 FGADRP C[C@@H](NC(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1)C(C)(C)C[NH+](C)C ZINC000085387014 494118834 /nfs/dbraw/zinc/11/88/34/494118834.db2.gz SKSSTPJXLQTNBL-SJORKVTESA-N 2 0 364.534 3.082 20 0 FGADRP CC[NH+]1CCC(NC(=O)C[N@H+](CC2CCC2)[C@@H](C)c2ccccc2)CC1 ZINC000077658089 494133925 /nfs/dbraw/zinc/13/39/25/494133925.db2.gz ISVDLOMXHFPLIY-SFHVURJKSA-N 2 0 357.542 3.450 20 0 FGADRP CC[NH+]1CCC(C[NH2+]Cc2ccc(I)cc2)CC1 ZINC000088174464 494211561 /nfs/dbraw/zinc/21/15/61/494211561.db2.gz UQVXVDJMFIURBO-UHFFFAOYSA-N 2 0 358.267 3.113 20 0 FGADRP C[C@H](CC[NH+]1CCCC[C@H]1C1(O)CC1)CC[N@@H+]1CCCC[C@@H]1C1(O)CC1 ZINC000568484289 505706317 /nfs/dbraw/zinc/70/63/17/505706317.db2.gz GPZHYRMEKSFDPB-ACDBMABISA-N 2 0 364.574 3.162 20 0 FGADRP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCCC[C@@H]2c2cccc(C)c2C)CC1 ZINC000089131714 494268993 /nfs/dbraw/zinc/26/89/93/494268993.db2.gz YVJYYCQPNVKZBP-OAQYLSRUSA-N 2 0 357.542 3.431 20 0 FGADRP C[C@H]([NH2+]CC1CCN(c2cc[nH+]cc2)CC1)c1ccc2c(c1)OCCO2 ZINC000089215211 494274124 /nfs/dbraw/zinc/27/41/24/494274124.db2.gz QZKHTAKJIHRPLE-INIZCTEOSA-N 2 0 353.466 3.420 20 0 FGADRP CCC[NH+]1CCC(N(C)C(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000066185521 494285792 /nfs/dbraw/zinc/28/57/92/494285792.db2.gz IGCFJKPFZCJTFH-FQEVSTJZSA-N 2 0 372.557 3.167 20 0 FGADRP CC1CC[NH+](CCc2cccc(NC(=O)NCC3(C)CC[NH2+]CC3)c2)CC1 ZINC000574175391 505712689 /nfs/dbraw/zinc/71/26/89/505712689.db2.gz LCNQHFONYNATPB-UHFFFAOYSA-N 2 0 372.557 3.472 20 0 FGADRP C[C@@H]1CCC[C@H](C)[N@H+]1CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000066531435 494351000 /nfs/dbraw/zinc/35/10/00/494351000.db2.gz FUKNXXRLZSOUEX-CALCHBBNSA-N 2 0 361.555 3.437 20 0 FGADRP [NH3+]C1(C[NH2+][C@@H]2CCCC[C@@H](N3C(=O)c4ccccc4C3=O)C2)CCCCC1 ZINC000574188613 505715336 /nfs/dbraw/zinc/71/53/36/505715336.db2.gz RTUUKMIFTTXROM-IAGOWNOFSA-N 2 0 369.509 3.235 20 0 FGADRP CSc1ccc(C[NH2+]CCCN2CCN(c3cc[nH+]cc3)CC2)s1 ZINC000574186856 505715408 /nfs/dbraw/zinc/71/54/08/505715408.db2.gz ZDUXJDRNXLSQDP-UHFFFAOYSA-N 2 0 362.568 3.167 20 0 FGADRP C[C@H]([NH2+]CC1CC[NH+](C)CC1)c1ccc(I)cc1 ZINC000044516525 494362436 /nfs/dbraw/zinc/36/24/36/494362436.db2.gz JDMAHSZIYPIBCK-LBPRGKRZSA-N 2 0 358.267 3.284 20 0 FGADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)C1 ZINC000073415542 494369139 /nfs/dbraw/zinc/36/91/39/494369139.db2.gz MVIBKDMQAMWPPV-CTNGQTDRSA-N 2 0 372.557 3.197 20 0 FGADRP C[C@H]1CCC[N@H+](CCCCNC(=O)NCC(C)(C)[NH+]2CCCCC2)C1 ZINC000079219086 494421176 /nfs/dbraw/zinc/42/11/76/494421176.db2.gz ONHDRFWKTIDHRF-SFHVURJKSA-N 2 0 352.567 3.062 20 0 FGADRP CC(C)C[NH+]1CCC(NC(=O)N2CCC[N@H+](Cc3ccccc3)CC2)CC1 ZINC000045463670 494430898 /nfs/dbraw/zinc/43/08/98/494430898.db2.gz ASMOVYLHPOJFPD-UHFFFAOYSA-N 2 0 372.557 3.024 20 0 FGADRP C[C@@H]([NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1)c1cccs1 ZINC000090028698 494431273 /nfs/dbraw/zinc/43/12/73/494431273.db2.gz PLQTZGDEAKNXLH-MRXNPFEDSA-N 2 0 357.523 3.425 20 0 FGADRP Cc1ccc2ccccc2c1C[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000568559066 505721783 /nfs/dbraw/zinc/72/17/83/505721783.db2.gz RMVBNCYNRCWGPA-UHFFFAOYSA-N 2 0 353.510 3.038 20 0 FGADRP C[C@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)c1cc(F)cc(F)c1 ZINC000090038781 494432519 /nfs/dbraw/zinc/43/25/19/494432519.db2.gz YQWRWGMVOQNLLZ-AWEZNQCLSA-N 2 0 361.436 3.107 20 0 FGADRP Cc1ccc([C@@H](CNC(=O)NC[C@H](c2cccs2)[NH+](C)C)[NH+](C)C)cc1 ZINC000067003195 494453346 /nfs/dbraw/zinc/45/33/46/494453346.db2.gz UCZPVMPGNNNZJH-QZTJIDSGSA-N 2 0 374.554 3.261 20 0 FGADRP CC(C)[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)CC1 ZINC000073959229 494457005 /nfs/dbraw/zinc/45/70/05/494457005.db2.gz GIAIVFPDWIFOIA-HKUYNNGSSA-N 2 0 363.571 3.368 20 0 FGADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000045788985 494462198 /nfs/dbraw/zinc/46/21/98/494462198.db2.gz XJAAILIKANILNY-UHFFFAOYSA-N 2 0 372.557 3.297 20 0 FGADRP FC(F)(F)c1cccnc1OCC[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000090606048 494486428 /nfs/dbraw/zinc/48/64/28/494486428.db2.gz UUOKTVLJSCAAGY-UHFFFAOYSA-N 2 0 357.420 3.476 20 0 FGADRP CC(C)[N@H+](C)CC1CCN(C(=O)NC[C@H](c2ccsc2)[NH+](C)C)CC1 ZINC000079599536 494490580 /nfs/dbraw/zinc/49/05/80/494490580.db2.gz SOBYTGXMFVXFKJ-GOSISDBHSA-N 2 0 366.575 3.113 20 0 FGADRP CC(C)[N@H+](C)CC1CCN(C(=O)NC[C@@H](c2ccsc2)[NH+](C)C)CC1 ZINC000079599535 494490940 /nfs/dbraw/zinc/49/09/40/494490940.db2.gz SOBYTGXMFVXFKJ-SFHVURJKSA-N 2 0 366.575 3.113 20 0 FGADRP COc1ccc([C@H](C)[C@@H](C)[NH2+]Cc2ccnc(OCC[NH+](C)C)c2)cc1 ZINC000090936992 494504289 /nfs/dbraw/zinc/50/42/89/494504289.db2.gz VIUSFKQZHHDAAZ-IAGOWNOFSA-N 2 0 357.498 3.312 20 0 FGADRP Cc1nc2ccccc2n1C[C@@H]1CCCN1C(=O)NC[C@H]1CCC[C@H]([NH3+])C1 ZINC000580293813 505724938 /nfs/dbraw/zinc/72/49/38/505724938.db2.gz VBMLJHAZRVLQLV-BZSNNMDCSA-N 2 0 369.513 3.036 20 0 FGADRP CCCC[N@H+](C)CC1CCN(C(=O)NCc2ccc(C[NH+](C)C)cc2)CC1 ZINC000079896552 494545012 /nfs/dbraw/zinc/54/50/12/494545012.db2.gz KSBMPZYODAXILQ-UHFFFAOYSA-N 2 0 374.573 3.402 20 0 FGADRP [NH3+]C[C@@H](Cc1ccccc1)[C@H]1CCCCN1C(=O)c1ccc2c(c1)C[NH2+]C2 ZINC000580300391 505727720 /nfs/dbraw/zinc/72/77/20/505727720.db2.gz GAWLFYNIRAWLAZ-IFMALSPDSA-N 2 0 363.505 3.102 20 0 FGADRP CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)cc1 ZINC000125939154 494582541 /nfs/dbraw/zinc/58/25/41/494582541.db2.gz DEGCYNLMJJTNOF-YJBOKZPZSA-N 2 0 369.575 3.465 20 0 FGADRP CCC[NH+]1CCC(CNC(=O)NCC2CC[NH+](CCC(C)C)CC2)CC1 ZINC000080106517 494598409 /nfs/dbraw/zinc/59/84/09/494598409.db2.gz CFGQQGWXCSKBOA-UHFFFAOYSA-N 2 0 366.594 3.166 20 0 FGADRP C[NH+](C)CCC1CC[NH+](Cc2c[nH]nc2-c2ccc3c(c2)OCCO3)CC1 ZINC000092381357 494610907 /nfs/dbraw/zinc/61/09/07/494610907.db2.gz DOBGFCLMQUUEIP-UHFFFAOYSA-N 2 0 370.497 3.012 20 0 FGADRP Cc1ccc([C@@H](CNC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)[NH+](C)C)cc1 ZINC000067704589 494617723 /nfs/dbraw/zinc/61/77/23/494617723.db2.gz WXAZGVOSOBHVAR-GOSISDBHSA-N 2 0 360.546 3.206 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1CCCNC(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000024571055 494640913 /nfs/dbraw/zinc/64/09/13/494640913.db2.gz FFASVFJWLOCTCI-LJQANCHMSA-N 2 0 372.557 3.215 20 0 FGADRP C[N@@H+]1CCC[C@]2(CCN(CCOc3cc(F)cc(Br)c3)C2)C1 ZINC000571466226 505739815 /nfs/dbraw/zinc/73/98/15/505739815.db2.gz QPROFDPZOMOJQU-KRWDZBQOSA-N 2 0 371.294 3.385 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)NC[C@@H]2CCC[NH+](C)C2)cc1 ZINC000108549558 494736072 /nfs/dbraw/zinc/73/60/72/494736072.db2.gz VGNPQBPWTBIBBT-NQIIRXRSSA-N 2 0 372.557 3.202 20 0 FGADRP C[C@H](C[NH2+][C@@H]1CCCc2ccc(Br)cc21)N1CC[NH+](C)CC1 ZINC000092746460 494736311 /nfs/dbraw/zinc/73/63/11/494736311.db2.gz ZFGFLVSHROIZRP-RDTXWAMCSA-N 2 0 366.347 3.052 20 0 FGADRP C[NH+]1CCC(Nc2ccccc2NC(=O)[C@H]2C[C@H]3CCCC[N@@H+]3C2)CC1 ZINC000080616933 494748773 /nfs/dbraw/zinc/74/87/73/494748773.db2.gz PELLDUHGPMFAFK-FUHWJXTLSA-N 2 0 356.514 3.006 20 0 FGADRP CN(c1ccccc1C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1)C1CC[NH+](C)CC1 ZINC000092043411 494766860 /nfs/dbraw/zinc/76/68/60/494766860.db2.gz JFIKMAMSFNIGDP-DENIHFKCSA-N 3 0 370.585 3.133 20 0 FGADRP CCCC[N@H+](C)CC1CC[NH+](CC(=O)N2CCC(c3ccccc3)=N2)CC1 ZINC000121488638 494777777 /nfs/dbraw/zinc/77/77/77/494777777.db2.gz BQBKEUXFEVFADD-UHFFFAOYSA-N 2 0 370.541 3.067 20 0 FGADRP Cc1ccc(OC[C@H](O)C[NH2+][C@H]2CCN([C@H](C)c3ccccc3)C2)c(C)c1 ZINC000571474306 505741181 /nfs/dbraw/zinc/74/11/81/505741181.db2.gz LFWWXBDKNZYLTF-BAGYTPMASA-N 2 0 368.521 3.468 20 0 FGADRP C[NH+](C)[C@H](CNC(=O)c1cccc(C[NH+]2CCCC2)c1)c1ccccc1 ZINC000108965578 494812101 /nfs/dbraw/zinc/81/21/01/494812101.db2.gz JNKPHHHNSAYKPE-OAQYLSRUSA-N 2 0 351.494 3.315 20 0 FGADRP Cc1cc(Cl)c2c(c1)[C@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)CCCO2 ZINC000126664761 494814333 /nfs/dbraw/zinc/81/43/33/494814333.db2.gz IYOVGROIYWHBAP-LJQANCHMSA-N 2 0 365.949 3.479 20 0 FGADRP Cc1ncc([C@H](C)[NH2+][C@@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)c(C)n1 ZINC000126695258 494821057 /nfs/dbraw/zinc/82/10/57/494821057.db2.gz CVWCHXVSLABIGQ-GJZGRUSLSA-N 2 0 371.504 3.396 20 0 FGADRP CC(C)[C@@H](C[NH2+][C@@H]1CCCOc2c(Cl)cccc21)N1CC[NH+](C)CC1 ZINC000132438662 494874232 /nfs/dbraw/zinc/87/42/32/494874232.db2.gz ROOPKYHRKXOAOK-RTBURBONSA-N 2 0 365.949 3.415 20 0 FGADRP CC[NH+]1CCC(NC(=O)C[N@H+](CC(C)C)[C@H]2CCCc3cccnc32)CC1 ZINC000127019170 494880838 /nfs/dbraw/zinc/88/08/38/494880838.db2.gz ZBLRIAFXRBJASC-FQEVSTJZSA-N 2 0 372.557 3.018 20 0 FGADRP CC[NH+]1CCN(CCC[NH2+][C@@H]2CCCOc3c(C)cc(Cl)cc32)CC1 ZINC000121903953 494885848 /nfs/dbraw/zinc/88/58/48/494885848.db2.gz DGDRTCWIIKULTC-LJQANCHMSA-N 2 0 365.949 3.479 20 0 FGADRP Cc1cc(C)c2c(c1)[C@@H]([NH2+]C[C@@H](C(C)C)N1CC[NH+](C)CC1)CCCO2 ZINC000132535748 494888872 /nfs/dbraw/zinc/88/88/72/494888872.db2.gz HEBXZHNPRYDQCK-SFTDATJTSA-N 2 0 359.558 3.379 20 0 FGADRP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(OCc3noc(C)n3)cc2)[C@H](C)C1 ZINC000093639584 494906955 /nfs/dbraw/zinc/90/69/55/494906955.db2.gz FIVBXEXYYUPLFO-BEFAXECRSA-N 2 0 358.486 3.119 20 0 FGADRP C[C@@H](C[NH2+][C@@H](Cc1cccc(F)c1)c1cccc(F)c1)N1CC[NH+](C)CC1 ZINC000127342462 494930942 /nfs/dbraw/zinc/93/09/42/494930942.db2.gz NJHPUUDZSCTMJH-JTSKRJEESA-N 2 0 373.491 3.474 20 0 FGADRP CC[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)c1ccc(OC)c(OC)c1 ZINC000132921220 494943076 /nfs/dbraw/zinc/94/30/76/494943076.db2.gz KSSGUBYHJVAHDH-VQIMIIECSA-N 2 0 362.514 3.245 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@H](C)Oc2ccccc2F)[C@H](C)C1 ZINC000127439470 494944804 /nfs/dbraw/zinc/94/48/04/494944804.db2.gz SMMULFBDLJROEI-LMMKCTJWSA-N 2 0 352.494 3.320 20 0 FGADRP CC(C)[C@@H](C[NH2+][C@@H](C)CC(=O)Nc1cccnc1Cl)[NH+]1CCCC1 ZINC000132950181 494947547 /nfs/dbraw/zinc/94/75/47/494947547.db2.gz OPPXJNJDTIPCMB-GOEBONIOSA-N 2 0 352.910 3.162 20 0 FGADRP Cc1cc(Cl)cc2c1OCCC[C@@H]2[NH2+]C[C@@H](C)N1CC[NH+](C)CC1 ZINC000122275770 494950950 /nfs/dbraw/zinc/95/09/50/494950950.db2.gz NAMMKOADGXOCNH-QAPCUYQASA-N 2 0 351.922 3.088 20 0 FGADRP C[C@@H](C[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1)N1CCC[C@H](C)C1 ZINC000132993473 494953762 /nfs/dbraw/zinc/95/37/62/494953762.db2.gz BMOYPRVWQWVOME-PMACEKPBSA-N 2 0 372.601 3.427 20 0 FGADRP OC[C@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21)Cc1ccco1 ZINC000571514004 505751795 /nfs/dbraw/zinc/75/17/95/505751795.db2.gz MHTPPQAZZACBTH-KZKAQZJJSA-N 2 0 368.521 3.463 20 0 FGADRP Cc1nc(-c2cc([C@@H](C)[NH2+]C[C@H](C)N3CC[NH+](C)CC3)cs2)cs1 ZINC000127550984 494961066 /nfs/dbraw/zinc/96/10/66/494961066.db2.gz XNIPIFPIGUVNIS-UONOGXRCSA-N 2 0 364.584 3.467 20 0 FGADRP CC(C)Cc1ccc([C@H](CNC(=O)C2CC[NH+](C3CC3)CC2)[NH+](C)C)cc1 ZINC000568685715 505752693 /nfs/dbraw/zinc/75/26/93/505752693.db2.gz BXOZGANOASVQOL-QFIPXVFZSA-N 2 0 371.569 3.478 20 0 FGADRP COc1cc(C[NH2+][C@H](C)c2ccc(-n3ccnc3)cc2)ccc1OCCO ZINC000127721989 494987401 /nfs/dbraw/zinc/98/74/01/494987401.db2.gz HQWJILSNNCOJNW-MRXNPFEDSA-N 2 0 367.449 3.103 20 0 FGADRP C[C@H](C[NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1)c1ccc(F)cc1 ZINC000127861110 495009294 /nfs/dbraw/zinc/00/92/94/495009294.db2.gz VPSUSKUDWAVBLD-MRXNPFEDSA-N 2 0 357.473 3.010 20 0 FGADRP CC1CC[NH+](CCCCNC(=O)NCCC[N@H+](C)C2CCCCC2)CC1 ZINC000097428353 495035455 /nfs/dbraw/zinc/03/54/55/495035455.db2.gz JADPQBNQDJCNCE-UHFFFAOYSA-N 2 0 366.594 3.452 20 0 FGADRP Cc1cc(N2CCCC2)ccc1NC(=O)C[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000118868269 495051215 /nfs/dbraw/zinc/05/12/15/495051215.db2.gz NRSDFOKCQXBDDD-UHFFFAOYSA-N 2 0 372.557 3.197 20 0 FGADRP CN(c1ccccc1C[NH2+]C[C@H](O)C1CCCCC1)C1CC[NH+](C)CC1 ZINC000133770340 495060085 /nfs/dbraw/zinc/06/00/85/495060085.db2.gz KZARXKYMIUMIIL-QFIPXVFZSA-N 2 0 359.558 3.248 20 0 FGADRP Cc1ccc([C@H](CN[C@@H]2CC[N@@H+](C[C@@H]3CCCO3)C[C@@H]2C)[NH+](C)C)cc1 ZINC000118983216 495064023 /nfs/dbraw/zinc/06/40/23/495064023.db2.gz IAHLVXHTTHTNMY-UVUJQTEASA-N 2 0 359.558 3.077 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NCc2ccccc2C[NH+](C)C(C)C)[C@H](C)C1 ZINC000128234739 495064899 /nfs/dbraw/zinc/06/48/99/495064899.db2.gz KWUVHFNCXDPVRN-NQIIRXRSSA-N 2 0 374.573 3.399 20 0 FGADRP Cc1ccc(C(=O)NCC[NH2+]C2CC[NH+](C3CCCCC3)CC2)cc1F ZINC000133879903 495074181 /nfs/dbraw/zinc/07/41/81/495074181.db2.gz QHIBRCZHKFSWDL-UHFFFAOYSA-N 2 0 361.505 3.251 20 0 FGADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)NCCC[NH+](C)C2CCCCC2)[C@H](C)C1 ZINC000128326631 495079847 /nfs/dbraw/zinc/07/98/47/495079847.db2.gz DGUCNUIKDHHUAF-IEBWSBKVSA-N 2 0 352.567 3.013 20 0 FGADRP C[NH+](C)CCCC1CC[NH+](C[C@H](O)CO[C@@H]2CCCc3ccccc32)CC1 ZINC000123119141 495083133 /nfs/dbraw/zinc/08/31/33/495083133.db2.gz IOGNDXRVXVZYBW-JTHBVZDNSA-N 2 0 374.569 3.495 20 0 FGADRP CCOc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(CCC[NH+](C)C)CC2)cc1 ZINC000123164221 495089890 /nfs/dbraw/zinc/08/98/90/495089890.db2.gz UCYAGGJUDDMPQM-QGZVFWFLSA-N 2 0 361.530 3.466 20 0 FGADRP CC(C)(O)[C@H]1CCC[N@@H+]1Cc1cccc(C[NH+]2CCC[C@H]2C(C)(C)O)c1 ZINC000119137007 495101317 /nfs/dbraw/zinc/10/13/17/495101317.db2.gz FOVOMZPHHPUJDI-BGYRXZFFSA-N 2 0 360.542 3.157 20 0 FGADRP Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000128514308 495109019 /nfs/dbraw/zinc/10/90/19/495109019.db2.gz MQZVLUDFEMOYDA-HNNXBMFYSA-N 2 0 352.592 3.427 20 0 FGADRP CCC[NH+]1CCC(N(C)C(=O)NC[C@@H](C)[N@H+](C)Cc2ccccc2)CC1 ZINC000111875357 495123702 /nfs/dbraw/zinc/12/37/02/495123702.db2.gz QSXDSCCEYNECKO-GOSISDBHSA-N 2 0 360.546 3.023 20 0 FGADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCC([NH2+]C(C)C)CC2)C1 ZINC000111880931 495124957 /nfs/dbraw/zinc/12/49/57/495124957.db2.gz HCNPGNDHMMJHJC-QGZVFWFLSA-N 2 0 352.567 3.059 20 0 FGADRP COc1ccc([C@@H](CNC(=O)C[C@H]([NH3+])c2ccccc2)[NH+]2CCCC2)cc1 ZINC000119423201 495164107 /nfs/dbraw/zinc/16/41/07/495164107.db2.gz KWGPZYQKNOEEMN-LEWJYISDSA-N 2 0 367.493 3.038 20 0 FGADRP C[NH+](C)Cc1ccc(C(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)cc1 ZINC000103092862 495192739 /nfs/dbraw/zinc/19/27/39/495192739.db2.gz TXJXJZQFQQDSCW-HXUWFJFHSA-N 2 0 357.542 3.476 20 0 FGADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCCC[NH+]2Cc2ccccc2)C1 ZINC000119600028 495198782 /nfs/dbraw/zinc/19/87/82/495198782.db2.gz UNELHFBQSFPROL-RTWAWAEBSA-N 2 0 357.542 3.135 20 0 FGADRP CC[N@H+](C)Cc1cccc(C[NH2+][C@@H]2CC[NH+](C[C@@H]3CCCO3)C[C@@H]2C)c1 ZINC000123973185 495214674 /nfs/dbraw/zinc/21/46/74/495214674.db2.gz XYRFOORZEIOZTK-YUXAGFNASA-N 2 0 359.558 3.117 20 0 FGADRP CC[N@H+](CCNC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1)C(C)C ZINC000103313868 495218279 /nfs/dbraw/zinc/21/82/79/495218279.db2.gz ZFYIBWWLECOGIG-LJQANCHMSA-N 2 0 352.567 3.014 20 0 FGADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@@H](c1ccc(Cl)cc1)N1CCOCC1 ZINC000119794590 495242213 /nfs/dbraw/zinc/24/22/13/495242213.db2.gz ZUJGPKCGSQKYOT-SMOSDQRPSA-N 2 0 365.949 3.032 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)N(C)CC1CC[NH+](C)CC1)c1ccsc1 ZINC000103509997 495245055 /nfs/dbraw/zinc/24/50/55/495245055.db2.gz VTYCVXRQRFHLDW-SFHVURJKSA-N 2 0 366.575 3.114 20 0 FGADRP CCC[NH+]1CCN(c2ccccc2C[N@H+](C)CCC2CCOCC2)CC1 ZINC000129653120 495275968 /nfs/dbraw/zinc/27/59/68/495275968.db2.gz XUUIADSOYKRUFI-UHFFFAOYSA-N 2 0 359.558 3.467 20 0 FGADRP CN(C)CC[NH+]1CCC(C[NH2+][C@H]2CCCOc3c(Cl)cccc32)CC1 ZINC000124365402 495276296 /nfs/dbraw/zinc/27/62/96/495276296.db2.gz WEHBQKHBMWGVJV-IBGZPJMESA-N 2 0 365.949 3.417 20 0 FGADRP C[C@@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)c1ccc(F)cc1OC(F)F ZINC000124522432 495301456 /nfs/dbraw/zinc/30/14/56/495301456.db2.gz UNFRMRBDVAUOFO-CQSZACIVSA-N 2 0 373.463 3.351 20 0 FGADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)NC2CC[NH+](C3CCCCC3)CC2)[C@H](C)C1 ZINC000129859819 495306644 /nfs/dbraw/zinc/30/66/44/495306644.db2.gz OLZQDQUVJBZPPC-YLJYHZDGSA-N 2 0 364.578 3.155 20 0 FGADRP C[C@@H]([NH2+]C1(CNC(=O)N2CC[C@H](C[NH+](C)C)C2)CCCC1)c1ccccc1 ZINC000129992711 495324876 /nfs/dbraw/zinc/32/48/76/495324876.db2.gz FFEVDAWKYBUHEC-RTBURBONSA-N 2 0 372.557 3.243 20 0 FGADRP COc1ccc([C@H](CCO)[NH2+][C@H]2CN(Cc3ccccc3)C[C@H]2C)cc1 ZINC000120263508 495338666 /nfs/dbraw/zinc/33/86/66/495338666.db2.gz ANKMDSGUONBWGL-WTNAPCKOSA-N 2 0 354.494 3.229 20 0 FGADRP Cc1ccc(C[NH2+]Cc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)cc1 ZINC000130192829 495354417 /nfs/dbraw/zinc/35/44/17/495354417.db2.gz HLBMPEOHVLHHCG-UHFFFAOYSA-N 2 0 351.494 3.110 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000571625008 505776467 /nfs/dbraw/zinc/77/64/67/505776467.db2.gz RYRKCXTXKCUGRL-MOPGFXCFSA-N 2 0 372.557 3.331 20 0 FGADRP O[C@H]1CC[N@H+](Cc2ccccc2C[NH2+][C@@H]2CCC[C@@H](C(F)(F)F)C2)C1 ZINC000130372797 495381792 /nfs/dbraw/zinc/38/17/92/495381792.db2.gz SCLRCRBVANOLMM-KURKYZTESA-N 2 0 356.432 3.464 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCc2cnn(-c3ccccc3)c2)[C@H](C)C1 ZINC000130384589 495384234 /nfs/dbraw/zinc/38/42/34/495384234.db2.gz RKCCSVBHQQGBOR-KNQAVFIVSA-N 2 0 370.541 3.141 20 0 FGADRP CC[NH+](CC)Cc1ccccc1CNC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000136577421 495388148 /nfs/dbraw/zinc/38/81/48/495388148.db2.gz XKHHZOJXYYFEMH-LEWJYISDSA-N 2 0 372.557 3.154 20 0 FGADRP Cc1nn(C)c(C)c1C[C@@H](C)[NH2+][C@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000120571676 495408044 /nfs/dbraw/zinc/40/80/44/495408044.db2.gz AVMVGPUNFZFDMW-HZPDHXFCSA-N 2 0 358.530 3.259 20 0 FGADRP CC[C@@H]([NH2+]CCCC[NH+]1CCN(c2cccc(C)c2)CC1)[C@@H]1CCOC1 ZINC000125334469 495428179 /nfs/dbraw/zinc/42/81/79/495428179.db2.gz GMXHKNTZKKVFQB-IFMALSPDSA-N 2 0 359.558 3.302 20 0 FGADRP C[C@@H]1C[C@H](NC(=O)NC2CCC(C[NH+](C)C)CC2)C[N@@H+]1Cc1ccccc1 ZINC000125409159 495440315 /nfs/dbraw/zinc/44/03/15/495440315.db2.gz RFTMEXBLIQFFGY-GHOZHQTGSA-N 2 0 372.557 3.069 20 0 FGADRP CC(C)[NH+]1CCC(NC(=O)NC[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC000137426747 495440653 /nfs/dbraw/zinc/44/06/53/495440653.db2.gz IYGLZYXZQVFFSD-ICSRJNTNSA-N 2 0 372.557 3.069 20 0 FGADRP C[C@@H]1C[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C[N@@H+]1Cc1ccccc1 ZINC000137482511 495442402 /nfs/dbraw/zinc/44/24/02/495442402.db2.gz DYNRKIAFEIYFLX-UTKZUKDTSA-N 2 0 351.494 3.141 20 0 FGADRP C[NH+]1CCN(c2ncccc2C[NH2+][C@H]2CC[C@@H](c3ccccc3)C2)CC1 ZINC000130804220 495448786 /nfs/dbraw/zinc/44/87/86/495448786.db2.gz VOBVSURKUOWLQU-CTNGQTDRSA-N 2 0 350.510 3.259 20 0 FGADRP O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000106516759 495460023 /nfs/dbraw/zinc/46/00/23/495460023.db2.gz UGECHXCFYLMHTL-IEBWSBKVSA-N 2 0 374.529 3.123 20 0 FGADRP COc1ccc(C[NH+]2CCC(C[NH2+]Cc3c(Cl)cnn3C)CC2)cc1 ZINC000130887902 495461508 /nfs/dbraw/zinc/46/15/08/495461508.db2.gz CNHMKBVKLMXTOT-UHFFFAOYSA-N 2 0 362.905 3.084 20 0 FGADRP CC(C)[C@H](C(=O)NC[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)[NH+](C)C ZINC000125563381 495463538 /nfs/dbraw/zinc/46/35/38/495463538.db2.gz HIJTWXBPTMBIEE-ZTFGCOKTSA-N 2 0 369.912 3.174 20 0 FGADRP C[C@H]([NH2+]C(C)(C)CNC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1)c1ccccc1 ZINC000140390328 495494580 /nfs/dbraw/zinc/49/45/80/495494580.db2.gz VTULSGVSZYKYRM-DFQSSKMNSA-N 2 0 372.557 3.242 20 0 FGADRP Cc1ccccc1[C@H]([C@@H](C)NC(=O)NCc1ccc2c[nH+]cn2c1)[NH+](C)C ZINC000574497619 505785931 /nfs/dbraw/zinc/78/59/31/505785931.db2.gz MXIJIYZQDIKLLD-UZLBHIALSA-N 2 0 365.481 3.133 20 0 FGADRP CC[NH+]1CCN(CCC[NH2+][C@H](C)c2sc(-c3cccnc3)nc2C)CC1 ZINC000154286472 495569227 /nfs/dbraw/zinc/56/92/27/495569227.db2.gz DDOKVIGBZJRKAH-MRXNPFEDSA-N 2 0 373.570 3.192 20 0 FGADRP CC[NH+]1CCN(CCC[NH2+][C@@H](C)c2sc(-c3cccnc3)nc2C)CC1 ZINC000154286385 495569767 /nfs/dbraw/zinc/56/97/67/495569767.db2.gz DDOKVIGBZJRKAH-INIZCTEOSA-N 2 0 373.570 3.192 20 0 FGADRP CN(C)c1ccnc(N2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)n1 ZINC000154310587 495576128 /nfs/dbraw/zinc/57/61/28/495576128.db2.gz OWTZZUKLZJYCFG-MOPGFXCFSA-N 2 0 351.498 3.034 20 0 FGADRP C[C@@H]1C[C@@H](N(C)C(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)CC[N@@H+]1C ZINC000154339252 495585484 /nfs/dbraw/zinc/58/54/84/495585484.db2.gz KKPGVBZNFIAFJI-QUCCMNQESA-N 2 0 357.542 3.230 20 0 FGADRP CC[C@@H]([NH2+]CCCC[NH+]1CCN(Cc2ccccc2)CC1)c1nccn1C ZINC000182498640 495587813 /nfs/dbraw/zinc/58/78/13/495587813.db2.gz VXOKBOFXQUKFGA-OAQYLSRUSA-N 2 0 369.557 3.059 20 0 FGADRP C[C@@H]1C[C@H](N(C)C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)CC[N@@H+]1C ZINC000173564617 495590218 /nfs/dbraw/zinc/59/02/18/495590218.db2.gz SDGYLWQRMLENRL-WIYYLYMNSA-N 2 0 372.557 3.297 20 0 FGADRP C[C@H]1C[NH+](Cc2ccccc2C[NH2+]Cc2cc(O)cc(F)c2)C[C@H](C)O1 ZINC000185482197 495594216 /nfs/dbraw/zinc/59/42/16/495594216.db2.gz IGXNUQWKOVQLNN-HOTGVXAUSA-N 2 0 358.457 3.430 20 0 FGADRP CCSc1cccc(C[NH2+]Cc2ccc(C(=O)NCC[NH+](C)C)cc2)c1 ZINC000185545431 495616106 /nfs/dbraw/zinc/61/61/06/495616106.db2.gz WHHOCHOFCFQGNN-UHFFFAOYSA-N 2 0 371.550 3.380 20 0 FGADRP C[C@H]([NH2+]CCCC[NH+]1CCN(C)CC1)c1cccc(-c2ccncc2)c1 ZINC000154443461 495616895 /nfs/dbraw/zinc/61/68/95/495616895.db2.gz RXVDHCXZKQYLQY-IBGZPJMESA-N 2 0 352.526 3.427 20 0 FGADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NCc1ccccc1C[NH+](C)C(C)C ZINC000176387963 495631934 /nfs/dbraw/zinc/63/19/34/495631934.db2.gz TYDIALFWVFHKLG-RTWAWAEBSA-N 2 0 372.557 3.295 20 0 FGADRP CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC000154497605 495634919 /nfs/dbraw/zinc/63/49/19/495634919.db2.gz JNDWEFYFAJJPRC-UHFFFAOYSA-N 2 0 366.509 3.132 20 0 FGADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NCCCC[NH+]1C[C@H](C)C[C@H](C)C1 ZINC000176403624 495638957 /nfs/dbraw/zinc/63/89/57/495638957.db2.gz IRZJVNOSULJCQF-WCIQWLHISA-N 2 0 364.578 3.013 20 0 FGADRP CC[C@H]([NH2+]C1CC[NH+](CCCOC)CC1)c1ccc(OC)c(OC)c1 ZINC000159113686 495661166 /nfs/dbraw/zinc/66/11/66/495661166.db2.gz WKFLCKKTFOVFRU-SFHVURJKSA-N 2 0 350.503 3.245 20 0 FGADRP C[C@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1ccc(Br)s1 ZINC000150958767 495694875 /nfs/dbraw/zinc/69/48/75/495694875.db2.gz TWNWQEDXIBONHY-LBPRGKRZSA-N 2 0 360.365 3.187 20 0 FGADRP Cc1cc(C)cc(OC[C@H](O)C[NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000185733460 495702428 /nfs/dbraw/zinc/70/24/28/495702428.db2.gz HWUVNEYIOARJDN-SFHLNBCPSA-N 2 0 360.542 3.286 20 0 FGADRP C[C@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1ccc(F)cc1OC(F)F ZINC000150996884 495707085 /nfs/dbraw/zinc/70/70/85/495707085.db2.gz CEMPVCGTWNADNJ-ZDUSSCGKSA-N 2 0 359.436 3.104 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccsc1 ZINC000173823499 495707872 /nfs/dbraw/zinc/70/78/72/495707872.db2.gz IVMUIYNJFYANIB-NXHRZFHOSA-N 2 0 366.575 3.255 20 0 FGADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1cc(Br)ccc1Cl ZINC000185873912 495760087 /nfs/dbraw/zinc/76/00/87/495760087.db2.gz DXCKDDDUIKROGT-CYBMUJFWSA-N 2 0 374.754 3.218 20 0 FGADRP C[C@H](NC(=O)Nc1ccc2c(c1)C[NH2+]C2)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000580630963 505801936 /nfs/dbraw/zinc/80/19/36/505801936.db2.gz QKBJZEMCRZVTHD-QFBILLFUSA-N 2 0 364.493 3.322 20 0 FGADRP C[C@H]([NH2+]Cc1cccc(C[NH2+][C@@H](C)C2CCOCC2)c1)C1CCOCC1 ZINC000179877794 495768831 /nfs/dbraw/zinc/76/88/31/495768831.db2.gz IQGVOABCUIMSOW-ROUUACIJSA-N 2 0 360.542 3.496 20 0 FGADRP Cc1ccccc1NC(=O)[C@@H](C)[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000182952053 495771832 /nfs/dbraw/zinc/77/18/32/495771832.db2.gz NOGUGKGLGPYUNT-LJQANCHMSA-N 2 0 373.541 3.146 20 0 FGADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H]1CCCc2nc(-c3ccccc3)sc21 ZINC000154926187 495774412 /nfs/dbraw/zinc/77/44/12/495774412.db2.gz FPLMTPADQDGESB-AEFFLSMTSA-N 2 0 370.566 3.413 20 0 FGADRP Cc1ccccc1CN(C)C(=O)[C@@H](C)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000171387384 495850998 /nfs/dbraw/zinc/85/09/98/495850998.db2.gz MKYKTCBTDDYMCA-LJQANCHMSA-N 2 0 357.542 3.150 20 0 FGADRP C[C@@H]([NH2+]Cc1cccnc1-n1ccnc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000151476517 495851829 /nfs/dbraw/zinc/85/18/29/495851829.db2.gz NDFYHQFLEPWPOD-QGZVFWFLSA-N 2 0 365.481 3.059 20 0 FGADRP C[C@H]([NH2+]Cc1cccc(OCCN2CCOCC2)c1)c1ccccc1F ZINC000155150029 495853426 /nfs/dbraw/zinc/85/34/26/495853426.db2.gz LWPLQZQGVXCHJH-KRWDZBQOSA-N 2 0 358.457 3.388 20 0 FGADRP C[C@H]([NH2+]Cc1cccc(OCCN2CCOCC2)c1)c1ccc(F)cc1 ZINC000155179903 495864831 /nfs/dbraw/zinc/86/48/31/495864831.db2.gz KQULQGYWHNOQMP-KRWDZBQOSA-N 2 0 358.457 3.388 20 0 FGADRP CC[NH+](CC)C[C@@H]1CC[N@H+](CCC(=O)Nc2ccc(Cl)cc2F)C1 ZINC000174214498 495867289 /nfs/dbraw/zinc/86/72/89/495867289.db2.gz MSQOHRSDSBFKPN-AWEZNQCLSA-N 2 0 355.885 3.471 20 0 FGADRP C[C@@H]1C[N@@H+](CCC2CC[NH+](Cc3ccc4c[nH]nc4c3)CC2)C[C@H](C)O1 ZINC000180181080 495894432 /nfs/dbraw/zinc/89/44/32/495894432.db2.gz PTKDDLFYEDCGMK-CALCHBBNSA-N 2 0 356.514 3.274 20 0 FGADRP CCC[NH+]1CCC([N@H+](C)CCC(=O)N[C@H]2CCCc3ccccc32)CC1 ZINC000177052380 495903467 /nfs/dbraw/zinc/90/34/67/495903467.db2.gz LPGJDLABGQGORH-NRFANRHFSA-N 2 0 357.542 3.377 20 0 FGADRP O=C(NCc1ccccc1C[NH+]1CCCC1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000171598503 495943578 /nfs/dbraw/zinc/94/35/78/495943578.db2.gz MGVLFXAKBLHHQG-NRFANRHFSA-N 2 0 370.541 3.052 20 0 FGADRP C[C@@H]([NH2+]Cc1ccc(C[S@](C)=O)cc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000571785107 505814771 /nfs/dbraw/zinc/81/47/71/505814771.db2.gz AHRMQUFYAFABFC-QUGAMOGWSA-N 2 0 374.550 3.356 20 0 FGADRP COc1ccc([C@@H]([NH2+]C[C@@H](C)CN2CC[NH+](C)CC2)c2ccccc2)cc1 ZINC000180438592 495996064 /nfs/dbraw/zinc/99/60/64/495996064.db2.gz VWRPXMGTOADCIA-XXBNENTESA-N 2 0 367.537 3.258 20 0 FGADRP Cc1nn(C)c(C)c1CCC[NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000183485471 496005443 /nfs/dbraw/zinc/00/54/43/496005443.db2.gz YJZQRJLHOVJEJH-INIZCTEOSA-N 2 0 358.530 3.261 20 0 FGADRP CN(C)c1ccncc1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000183567849 496034564 /nfs/dbraw/zinc/03/45/64/496034564.db2.gz GGRBUNPPTQOWJL-YQQQUEKLSA-N 2 0 364.493 3.073 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)C1CC[NH+](C(C)C)CC1)c1ccsc1 ZINC000174625977 496037229 /nfs/dbraw/zinc/03/72/29/496037229.db2.gz NHGRETMXZFTLOV-SFHVURJKSA-N 2 0 351.560 3.368 20 0 FGADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H]1CCc2c1cccc2Br ZINC000186582226 496055222 /nfs/dbraw/zinc/05/52/22/496055222.db2.gz PKDCWDCCMAVWDO-KBXCAEBGSA-N 2 0 366.347 3.052 20 0 FGADRP CCOc1ccc([C@@H](C)[NH2+][C@H](C)CCN2CC[NH+](C)CC2)cc1OCC ZINC000186580206 496055238 /nfs/dbraw/zinc/05/52/38/496055238.db2.gz FSAQSXOKMQSBJP-QZTJIDSGSA-N 2 0 363.546 3.161 20 0 FGADRP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+]2CCCC(C)(C)C2)CC1 ZINC000171833458 496056849 /nfs/dbraw/zinc/05/68/49/496056849.db2.gz JFZMZJKHEPCGFW-UHFFFAOYSA-N 2 0 357.542 3.198 20 0 FGADRP COc1cc(OC)c([C@@H](C)[NH2+][C@H](C)CCN2CC[NH+](C)CC2)cc1Cl ZINC000186597682 496064982 /nfs/dbraw/zinc/06/49/82/496064982.db2.gz IYOFTGVYCLHSFT-HUUCEWRRSA-N 2 0 369.937 3.034 20 0 FGADRP CC(C)N(C)C(=O)[C@H](C)[NH2+]Cc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000177458777 496070461 /nfs/dbraw/zinc/07/04/61/496070461.db2.gz HHODVIFZYYTOOB-KRWDZBQOSA-N 2 0 357.498 3.257 20 0 FGADRP CC[C@@H](C[N@H+](CC)CC(=O)NC1CC[NH+](C(C)C)CC1)c1ccccc1 ZINC000186620164 496076401 /nfs/dbraw/zinc/07/64/01/496076401.db2.gz ROPFKYGCNBFQNN-IBGZPJMESA-N 2 0 359.558 3.491 20 0 FGADRP C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)CCC2CC[NH2+]CC2)CC1 ZINC000155957662 496118176 /nfs/dbraw/zinc/11/81/76/496118176.db2.gz MKIMKPMSDGRMEM-UHFFFAOYSA-N 2 0 357.542 3.137 20 0 FGADRP C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000152365545 496128082 /nfs/dbraw/zinc/12/80/82/496128082.db2.gz VXUSMXZXWAEDBQ-WBVHZDCISA-N 2 0 363.933 3.151 20 0 FGADRP CC[NH+](CC)CCCC1CCN(C(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC000180753672 496132821 /nfs/dbraw/zinc/13/28/21/496132821.db2.gz SVYWIYRGPSVXNJ-UHFFFAOYSA-N 2 0 351.579 3.467 20 0 FGADRP Cc1ccc([C@H](CNC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)[NH+]2CCCC2)o1 ZINC000177709637 496166811 /nfs/dbraw/zinc/16/68/11/496166811.db2.gz YMZNQZVTUPHHRH-QUCCMNQESA-N 2 0 373.541 3.496 20 0 FGADRP CCOc1ccc([C@H](C)[NH2+]Cc2ccc(N3CC[NH+](C)CC3)nc2)cc1 ZINC000177828002 496213180 /nfs/dbraw/zinc/21/31/80/496213180.db2.gz DIDISAFLRGIWSO-KRWDZBQOSA-N 2 0 354.498 3.083 20 0 FGADRP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCN(c3cccc(Br)c3)C2)CC[N@@H+]1C ZINC000152744735 496243869 /nfs/dbraw/zinc/24/38/69/496243869.db2.gz MIWFOPPXOARQRW-HLLBOEOZSA-N 2 0 366.347 3.348 20 0 FGADRP C[C@H]([NH2+]CCCC[NH+]1CCN(Cc2ccccc2)CC1)c1ccncc1 ZINC000156471226 496254484 /nfs/dbraw/zinc/25/44/84/496254484.db2.gz NZXOMAHSDTWTTP-FQEVSTJZSA-N 2 0 352.526 3.330 20 0 FGADRP COc1ccc(C(=O)Nc2cccc(CN3CC[C@H]([NH3+])C[C@H]3C)c2)cc1 ZINC000574700340 505835460 /nfs/dbraw/zinc/83/54/60/505835460.db2.gz NVLZGFXCHLJAGN-QAPCUYQASA-N 2 0 353.466 3.259 20 0 FGADRP C[NH+]1CCN(c2cc(C[NH2+]Cc3cscc3C(F)(F)F)ccn2)CC1 ZINC000569039596 505836263 /nfs/dbraw/zinc/83/62/63/505836263.db2.gz CYIGIEDHVJKQJF-UHFFFAOYSA-N 2 0 370.444 3.204 20 0 FGADRP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@H]1CCCC[NH+]1CC ZINC000175279471 496320687 /nfs/dbraw/zinc/32/06/87/496320687.db2.gz QCSUTTCWOYGYFG-NHCUHLMSSA-N 2 0 357.542 3.231 20 0 FGADRP C[NH+](C)CCCCCCCNC(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000172567782 496344224 /nfs/dbraw/zinc/34/42/24/496344224.db2.gz QNOZZHZPPFGLPE-UHFFFAOYSA-N 2 0 352.567 3.158 20 0 FGADRP C[C@H](Cn1cc(Br)cn1)[NH2+]C1CC[NH+](CC2CCCC2)CC1 ZINC000178159064 496351100 /nfs/dbraw/zinc/35/11/00/496351100.db2.gz PCRMBRLGLDYKST-CQSZACIVSA-N 2 0 369.351 3.278 20 0 FGADRP Cc1ccccc1C[NH+]1CCC(NC(=O)C[NH2+][C@@H]2CCCC[C@H]2C)CC1 ZINC000162437801 496352882 /nfs/dbraw/zinc/35/28/82/496352882.db2.gz WMRXDHRTMZLXHJ-WIYYLYMNSA-N 2 0 357.542 3.244 20 0 FGADRP C[NH+](C)Cc1cccc(C(=O)NC2CC[NH+](CCc3ccccc3)CC2)c1 ZINC000172615423 496363520 /nfs/dbraw/zinc/36/35/20/496363520.db2.gz PBZPURQTQGZVLG-UHFFFAOYSA-N 2 0 365.521 3.185 20 0 FGADRP Cc1nc(Cc2ccccc2)sc1[C@H](C)[NH2+]CCCN1CC[NH+](C)CC1 ZINC000162535357 496369564 /nfs/dbraw/zinc/36/95/64/496369564.db2.gz GCVFPJNZXIQKPG-KRWDZBQOSA-N 2 0 372.582 3.330 20 0 FGADRP COc1ccc([C@@H](C)[C@H](C)[NH2+]C2CCN(C3CC[NH+](C)CC3)CC2)cc1 ZINC000178242319 496384487 /nfs/dbraw/zinc/38/44/87/496384487.db2.gz UVLMCKYSXGOXGW-ROUUACIJSA-N 2 0 359.558 3.335 20 0 FGADRP CC(=O)c1oc2ccccc2c1NC(=O)[C@H](C)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000578013468 505841443 /nfs/dbraw/zinc/84/14/43/505841443.db2.gz QOIDTCGWKWSBGW-ZFZWDLNGSA-N 2 0 369.465 3.022 20 0 FGADRP CCC[N@H+](CC)CCNC(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC000175496361 496416111 /nfs/dbraw/zinc/41/61/11/496416111.db2.gz LZTSMGVQNFDSHG-SEJPIABJSA-N 2 0 372.557 3.213 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000175613873 496465511 /nfs/dbraw/zinc/46/55/11/496465511.db2.gz NBWRIXDRFANIKE-GOSISDBHSA-N 2 0 364.578 3.347 20 0 FGADRP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000175678539 496497328 /nfs/dbraw/zinc/49/73/28/496497328.db2.gz NRMCXXZMQUUWBI-FGTMMUONSA-N 2 0 364.578 3.059 20 0 FGADRP CC(C)(C)NC(=O)C[NH+]1CCC(C[NH2+][C@@H](Cc2ccccc2)C2CC2)CC1 ZINC000163494699 496523332 /nfs/dbraw/zinc/52/33/32/496523332.db2.gz LAPYBBONFPUJQX-NRFANRHFSA-N 2 0 371.569 3.224 20 0 FGADRP C[C@@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)c1ccc(Br)cc1 ZINC000578049801 505849492 /nfs/dbraw/zinc/84/94/92/505849492.db2.gz DNQRHERFAYSNTB-CQSZACIVSA-N 2 0 354.336 3.126 20 0 FGADRP CC[NH+](CC)Cc1cccc(CNC(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)c1 ZINC000175749551 496527673 /nfs/dbraw/zinc/52/76/73/496527673.db2.gz UDKLJWMBJZJHMM-VQTJNVASSA-N 2 0 360.546 3.200 20 0 FGADRP C[C@@H](NC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1)C(C)(C)C[NH+](C)C ZINC000184813748 496543647 /nfs/dbraw/zinc/54/36/47/496543647.db2.gz ZDUZMNHZYMTPSO-GOSISDBHSA-N 2 0 359.558 3.381 20 0 FGADRP C[C@H](CCNC(=O)NCc1cccc(C[NH+]2CCCC2)c1)[NH+]1CCCCC1 ZINC000184818292 496544283 /nfs/dbraw/zinc/54/42/83/496544283.db2.gz OFTNLJOWFCXDAC-LJQANCHMSA-N 2 0 372.557 3.346 20 0 FGADRP CC[N@H+](C)C[C@H]1CCN(C(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000184831762 496548848 /nfs/dbraw/zinc/54/88/48/496548848.db2.gz WSBZCAQPTKNCTH-HXUWFJFHSA-N 2 0 357.542 3.089 20 0 FGADRP O=C1C[C@@H](C[NH2+]C2CC[NH+](C3CCCCC3)CC2)CN1Cc1ccccc1 ZINC000181819826 496559072 /nfs/dbraw/zinc/55/90/72/496559072.db2.gz JIKXQZBLQINYMU-FQEVSTJZSA-N 2 0 369.553 3.422 20 0 FGADRP Clc1ccc(C[C@H]2CCC[C@@H]2[NH2+]Cc2nnc(C3CC[NH2+]CC3)[nH]2)cc1 ZINC000569095197 505851536 /nfs/dbraw/zinc/85/15/36/505851536.db2.gz JUBTXEWTILUWHE-AEFFLSMTSA-N 2 0 373.932 3.426 20 0 FGADRP CC[NH+](CC)CCCC1CCN(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000571952053 505854025 /nfs/dbraw/zinc/85/40/25/505854025.db2.gz BLBMPDGXBBHFCW-PMACEKPBSA-N 2 0 364.578 3.157 20 0 FGADRP C[NH+](C)[C@H]1CCC[C@H](NC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000164526190 496616605 /nfs/dbraw/zinc/61/66/05/496616605.db2.gz PPXPEQRQPWTHHQ-PMACEKPBSA-N 2 0 357.542 3.278 20 0 FGADRP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000574787380 505855607 /nfs/dbraw/zinc/85/56/07/505855607.db2.gz AJNDMITYUFCCDT-VQIMIIECSA-N 2 0 374.554 3.171 20 0 FGADRP Cc1ccc(S(=O)(=O)C[C@@H](C)[NH2+]CCCC[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000185034386 496630924 /nfs/dbraw/zinc/63/09/24/496630924.db2.gz YPAAEZGVNNHKAC-RBUKOAKNSA-N 2 0 366.571 3.259 20 0 FGADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H](C)c2cccc(Br)c2)CC1 ZINC000173321587 496642379 /nfs/dbraw/zinc/64/23/79/496642379.db2.gz NBHPKHJTIYKJFZ-GJZGRUSLSA-N 2 0 354.336 3.126 20 0 FGADRP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2F)CC1)[C@H]([NH3+])c1ccccc1 ZINC000165159496 496649940 /nfs/dbraw/zinc/64/99/40/496649940.db2.gz NLAHNOCQHUOPDK-IERDGZPVSA-N 2 0 369.484 3.242 20 0 FGADRP COc1ccc(Cl)cc1C1(C[NH2+][C@H]2CC[N@H+](C)C[C@H]2C)CCOCC1 ZINC000154074839 496674672 /nfs/dbraw/zinc/67/46/72/496674672.db2.gz ABDMHSDFPPGOFG-QAPCUYQASA-N 2 0 366.933 3.327 20 0 FGADRP Cc1cccc(N2CC[NH+](CCCC[NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)CC2)c1 ZINC000166077481 496676751 /nfs/dbraw/zinc/67/67/51/496676751.db2.gz SEDWLBGJQHWAOQ-FYYLOGMGSA-N 3 0 370.585 3.114 20 0 FGADRP CC[N@@H+]1CC[C@H]([NH2+]C2CCN(Cc3ccc(F)c(F)c3)CC2)[C@H](C)C1 ZINC000166162522 496678277 /nfs/dbraw/zinc/67/82/77/496678277.db2.gz UVIRMCFNZBFFBO-QRWLVFNGSA-N 2 0 351.485 3.249 20 0 FGADRP C[C@@H]1C[C@@H](N(C)C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)CC[N@@H+]1C ZINC000173416652 496683878 /nfs/dbraw/zinc/68/38/78/496683878.db2.gz BTWJFCHXTIWBPA-IKGGRYGDSA-N 2 0 364.559 3.009 20 0 FGADRP C[C@H](CNC(=O)CC[C@@H]([NH3+])c1ccccc1)[N@@H+]1CCc2ccccc2C1 ZINC000166500408 496687667 /nfs/dbraw/zinc/68/76/67/496687667.db2.gz WBOFTFYHDXUCHE-DYESRHJHSA-N 2 0 351.494 3.030 20 0 FGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000166507010 496687758 /nfs/dbraw/zinc/68/77/58/496687758.db2.gz VVULJLDURUCGMH-DFQSSKMNSA-N 2 0 374.548 3.245 20 0 FGADRP CC[N@@H+]1CC[C@H]([NH2+]CCC(=O)Nc2cc(C)c(Cl)cc2OC)[C@H](C)C1 ZINC000158384627 496689480 /nfs/dbraw/zinc/68/94/80/496689480.db2.gz IDSAZKOSYNCCJJ-ZBFHGGJFSA-N 2 0 367.921 3.306 20 0 FGADRP C[C@@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)c1ccc2c(c1)CCC2 ZINC000158458076 496705705 /nfs/dbraw/zinc/70/57/05/496705705.db2.gz XBORYUCHTUJIHQ-QGZVFWFLSA-N 2 0 350.510 3.173 20 0 FGADRP C[C@@H](C(=O)Nc1cccc(OCCC[NH+](C)C)c1)[C@H]([NH3+])c1ccccc1 ZINC000168767261 496711680 /nfs/dbraw/zinc/71/16/80/496711680.db2.gz KYJBYWRDVHWOAC-UZLBHIALSA-N 2 0 355.482 3.292 20 0 FGADRP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)CC1CC[NH+](C)CC1 ZINC000273183994 496733971 /nfs/dbraw/zinc/73/39/71/496733971.db2.gz HAAHBWVRYWFBPD-OAQYLSRUSA-N 2 0 357.542 3.089 20 0 FGADRP C[C@@H]([NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(F)cc1N(C)C ZINC000246964943 496736892 /nfs/dbraw/zinc/73/68/92/496736892.db2.gz JBDDSZQYCCAKJH-IXDOHACOSA-N 2 0 351.510 3.432 20 0 FGADRP c1coc([C@H]2CN(CCCCCN3CCO[C@@H](c4ccco4)C3)CCO2)c1 ZINC000246990025 496744589 /nfs/dbraw/zinc/74/45/89/496744589.db2.gz QKGGTPFHUXVQPL-NHCUHLMSSA-N 2 0 374.481 3.490 20 0 FGADRP CC[S@](=O)[C@@H]1CCC[C@@H]([NH2+][C@@H](C)c2cccc(OCC[NH+](C)C)c2)C1 ZINC000247004131 496748433 /nfs/dbraw/zinc/74/84/33/496748433.db2.gz KAZLIBACXNTVAT-ZASNGOMBSA-N 2 0 366.571 3.357 20 0 FGADRP COCCOc1ccc([C@H](C)[NH2+][C@H]2CCC[C@@H]([NH+](C)C)C2)cc1OC ZINC000247022697 496755644 /nfs/dbraw/zinc/75/56/44/496755644.db2.gz KVTBQDMIRSKESD-RYQLBKOJSA-N 2 0 350.503 3.244 20 0 FGADRP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCN(c3cccc(Br)c3)C2)CC[N@@H+]1C ZINC000247033559 496758027 /nfs/dbraw/zinc/75/80/27/496758027.db2.gz MIWFOPPXOARQRW-BFYDXBDKSA-N 2 0 366.347 3.348 20 0 FGADRP C[N@@H+]1CCC[C@H]2CN(C(=O)c3ccc(C[NH+]4CCCCC4)cc3)CC[C@@H]21 ZINC000268972598 496839256 /nfs/dbraw/zinc/83/92/56/496839256.db2.gz ATZFHJXLBGEYST-SFTDATJTSA-N 2 0 355.526 3.229 20 0 FGADRP CCCN(CCC[NH+](C)C)C(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000188582743 496841065 /nfs/dbraw/zinc/84/10/65/496841065.db2.gz BIQZNGDUQPCMMI-UHFFFAOYSA-N 2 0 374.573 3.333 20 0 FGADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+]Cc1ccc(Oc2ccc(F)cc2)cc1 ZINC000578147332 505873037 /nfs/dbraw/zinc/87/30/37/505873037.db2.gz DXHYKWJMCMOGIE-QGZVFWFLSA-N 2 0 357.473 3.344 20 0 FGADRP Cc1ccc(OC(F)F)c([C@@H](C)[NH2+]CCCC[N@@H+]2CCC[C@H]2CO)c1 ZINC000247978520 496936878 /nfs/dbraw/zinc/93/68/78/496936878.db2.gz ICVNXVNPFDQCAM-CVEARBPZSA-N 2 0 356.457 3.484 20 0 FGADRP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NCCC[NH+](C)C1CCCCC1 ZINC000195636024 496956867 /nfs/dbraw/zinc/95/68/67/496956867.db2.gz NKVGAFZQYVAJME-QZTJIDSGSA-N 2 0 352.567 3.061 20 0 FGADRP C[C@@H](NC(=O)N[C@@H](C)C[N@@H+]1CCC[C@@H](C)C1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000248393899 496993099 /nfs/dbraw/zinc/99/30/99/496993099.db2.gz FEPDYGVGYXKXEY-FCGDIQPGSA-N 2 0 364.578 3.059 20 0 FGADRP C[C@H](NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000248396772 496994015 /nfs/dbraw/zinc/99/40/15/496994015.db2.gz HHTBEBWYFKHURI-OTWHNJEPSA-N 2 0 361.574 3.410 20 0 FGADRP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N[C@@H](C)[C@H]2CCC[NH+](C3CCC3)C2)C1 ZINC000248406392 496999681 /nfs/dbraw/zinc/99/96/81/496999681.db2.gz SICLVNLENVDZGT-FHWLQOOXSA-N 2 0 364.578 3.059 20 0 FGADRP CC[C@H](C)NC(=O)CC[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000248408838 497001164 /nfs/dbraw/zinc/00/11/64/497001164.db2.gz VYFWVFOZMZFIJX-MJUUVYJYSA-N 2 0 357.542 3.182 20 0 FGADRP C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)C[C@@H]1CC2(CCC2)C(=O)O1 ZINC000192143480 497011368 /nfs/dbraw/zinc/01/13/68/497011368.db2.gz MLJFUNYPXWUIGN-IBGZPJMESA-N 2 0 357.498 3.106 20 0 FGADRP Cc1cccn2c(=O)cc(CN3CCC[C@H](C[N@H+]4CCCC[C@H]4C)C3)nc12 ZINC000265006893 497030248 /nfs/dbraw/zinc/03/02/48/497030248.db2.gz FCRJVVYWKQIOCN-MOPGFXCFSA-N 2 0 368.525 3.089 20 0 FGADRP C[N@H+](C[C@@H](O)CCc1ccccc1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000248540091 497033937 /nfs/dbraw/zinc/03/39/37/497033937.db2.gz BBQSCWIRYJGDOM-GOTSBHOMSA-N 2 0 352.522 3.434 20 0 FGADRP COCCC1(C[NH2+]Cc2ccccc2C[N@@H+]2CC[C@@H](O)C2)CCCCC1 ZINC000189398181 497105447 /nfs/dbraw/zinc/10/54/47/497105447.db2.gz PTOHXKSTBUZNCW-OAQYLSRUSA-N 2 0 360.542 3.330 20 0 FGADRP COC(=O)C1CCC([NH2+]CC2CC[NH+](Cc3cccs3)CC2)CC1 ZINC000192441054 497115615 /nfs/dbraw/zinc/11/56/15/497115615.db2.gz PGYKUROCGONSFD-UHFFFAOYSA-N 2 0 350.528 3.282 20 0 FGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(-n3ccnc3)cc2C)[C@@H](C)C1 ZINC000248892337 497128078 /nfs/dbraw/zinc/12/80/78/497128078.db2.gz SGOSEKVBRZWKIX-SIKLNZKXSA-N 2 0 370.541 3.407 20 0 FGADRP CC1CC[NH+]([C@H](CNC(=O)[C@@H]([NH3+])Cc2ccccc2)c2cccs2)CC1 ZINC000236660377 497129292 /nfs/dbraw/zinc/12/92/92/497129292.db2.gz ANLCWFTXGJZGPW-RBUKOAKNSA-N 2 0 371.550 3.207 20 0 FGADRP CC1CC[NH+]([C@H](CNC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)c2ccccc2)CC1 ZINC000236730242 497138443 /nfs/dbraw/zinc/13/84/43/497138443.db2.gz SACBTWCOGUPWEU-ZXJUBJKJSA-N 2 0 369.553 3.497 20 0 FGADRP CCC[NH+]1CCN(c2ccccc2CNCC[N@H+](C)C2CCCC2)CC1 ZINC000236799749 497147635 /nfs/dbraw/zinc/14/76/35/497147635.db2.gz VVGWDBIEZYRIAU-UHFFFAOYSA-N 2 0 358.574 3.183 20 0 FGADRP Cn1c2ccc(C[NH2+]Cc3ccc(F)c(C[NH+](C)C)c3)cc2sc1=O ZINC000192582282 497156793 /nfs/dbraw/zinc/15/67/93/497156793.db2.gz VWBDRHWDAGWAMQ-UHFFFAOYSA-N 2 0 359.470 3.091 20 0 FGADRP CCC[C@H]([NH3+])C(=O)NCc1ccccc1-c1ccc(Cn2ccnc2)cc1 ZINC000236884699 497162340 /nfs/dbraw/zinc/16/23/40/497162340.db2.gz FSJQIHXJJYGXLX-NRFANRHFSA-N 2 0 362.477 3.342 20 0 FGADRP COc1ccc([C@@H](CCO)[NH2+][C@H](C)c2cccc(OCC[NH+](C)C)c2)cc1 ZINC000270627533 497165259 /nfs/dbraw/zinc/16/52/59/497165259.db2.gz LNDQFBYLAQYJQW-VGOFRKELSA-N 2 0 372.509 3.410 20 0 FGADRP COC(=O)c1ccc(CN(C)C[C@H]2CC[N@H+](Cc3ccc(C)s3)C2)nc1 ZINC000581015030 505891405 /nfs/dbraw/zinc/89/14/05/505891405.db2.gz SVBLMOBQQDBXIZ-MRXNPFEDSA-N 2 0 373.522 3.192 20 0 FGADRP C[N@H+](CCN(Cc1ccccc1)C(=O)C1CC[NH2+]CC1)Cc1ccccc1 ZINC000237132943 497195805 /nfs/dbraw/zinc/19/58/05/497195805.db2.gz FQQLYBQRBYIQBK-UHFFFAOYSA-N 2 0 365.521 3.147 20 0 FGADRP C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)c2ccc(C[NH3+])cc2)CC1 ZINC000237193268 497203148 /nfs/dbraw/zinc/20/31/48/497203148.db2.gz NFSLJWNDBAEBRI-UHFFFAOYSA-N 2 0 351.494 3.130 20 0 FGADRP CC(C)[NH+]1CCN(CCC[NH+]2CCC(Nc3ccccc3F)CC2)CC1 ZINC000192770788 497209802 /nfs/dbraw/zinc/20/98/02/497209802.db2.gz VAYPXWHWOVWFDS-UHFFFAOYSA-N 2 0 362.537 3.118 20 0 FGADRP COc1ccc([C@H](CNC(=O)[C@H]2CCCCCC[C@@H]2[NH3+])[NH+]2CCCC2)cc1 ZINC000237327895 497221025 /nfs/dbraw/zinc/22/10/25/497221025.db2.gz KJPSDJSXYGKSMK-ACRUOGEOSA-N 2 0 373.541 3.246 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)[C@@H]2CC23CC[NH2+]CC3)cc1 ZINC000237352542 497224054 /nfs/dbraw/zinc/22/40/54/497224054.db2.gz RTCSPBHOJPFWLJ-XLIONFOSSA-N 2 0 355.526 3.067 20 0 FGADRP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@@H](C[NH3+])c2ccccc2)CC1 ZINC000237481470 497243104 /nfs/dbraw/zinc/24/31/04/497243104.db2.gz KNCKFUWNYRYFTD-UWJYYQICSA-N 2 0 351.494 3.071 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1N(C)C(=O)c1ccc(C[NH3+])cc1 ZINC000237513293 497248657 /nfs/dbraw/zinc/24/86/57/497248657.db2.gz TUQBGEYCCATAHC-UTKZUKDTSA-N 2 0 351.494 3.128 20 0 FGADRP C[C@@H](CC(=O)N1CCCCCC1)[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000192927564 497248803 /nfs/dbraw/zinc/24/88/03/497248803.db2.gz RNQKNHWVPLQKAX-PZJWPPBQSA-N 2 0 357.542 3.279 20 0 FGADRP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)C[C@@H]([NH3+])c1ccccc1 ZINC000237515116 497249399 /nfs/dbraw/zinc/24/93/99/497249399.db2.gz USAOTGXEFJXCNB-DBXWQHBBSA-N 2 0 365.521 3.349 20 0 FGADRP C[C@H]1C[C@H](N(C)C(=O)c2ccc(C[NH3+])cc2)CC[N@@H+]1Cc1ccccc1 ZINC000237561790 497255968 /nfs/dbraw/zinc/25/59/68/497255968.db2.gz PLVYQKPQLVQXDU-LAUBAEHRSA-N 2 0 351.494 3.270 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)[C@@H](c1ccccc1)[N@@H+](C)CC)c1ccco1 ZINC000249910942 497256953 /nfs/dbraw/zinc/25/69/53/497256953.db2.gz IORUFROOSNGEQZ-UYAOXDASSA-N 2 0 357.498 3.472 20 0 FGADRP C[C@H](C(=O)Nc1ccc2ccn(CC[NH+](C)C)c2c1)[C@H]([NH3+])c1ccccc1 ZINC000237595964 497261231 /nfs/dbraw/zinc/26/12/31/497261231.db2.gz JTZLVVMEKALCMW-KKSFZXQISA-N 2 0 364.493 3.478 20 0 FGADRP C[C@@H](C(=O)Nc1ccc2ccn(CC[NH+](C)C)c2c1)[C@@H]([NH3+])c1ccccc1 ZINC000237646171 497268715 /nfs/dbraw/zinc/26/87/15/497268715.db2.gz JTZLVVMEKALCMW-IIBYNOLFSA-N 2 0 364.493 3.478 20 0 FGADRP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)N(C)CC2([NH+](C)C)CCC2)CC1 ZINC000189864334 497273001 /nfs/dbraw/zinc/27/30/01/497273001.db2.gz NQRGNBQENZKVQK-SFHVURJKSA-N 2 0 372.557 3.338 20 0 FGADRP C[NH+]1CCC(CC[NH2+][C@@H]2CCCN(C(=O)Oc3ccccc3)CC2)CC1 ZINC000278955662 497280177 /nfs/dbraw/zinc/28/01/77/497280177.db2.gz NJEGQYNMECSFKK-LJQANCHMSA-N 2 0 359.514 3.361 20 0 FGADRP c1cnn([C@@H]2CCCC[C@H]2[NH2+]CCC[NH2+][C@H]2CCCC[C@H]2n2cccn2)c1 ZINC000251682738 497281141 /nfs/dbraw/zinc/28/11/41/497281141.db2.gz NSDLMROVQLUZEE-PLACYPQZSA-N 2 0 370.545 3.317 20 0 FGADRP Cc1cccn2cc(COc3ccc(C[NH2+]CCn4cccn4)cc3)nc12 ZINC000237853815 497302407 /nfs/dbraw/zinc/30/24/07/497302407.db2.gz WSCPOHOQKJPOSO-UHFFFAOYSA-N 2 0 361.449 3.208 20 0 FGADRP [NH3+][C@@H]1CCCCCC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000237868541 497304506 /nfs/dbraw/zinc/30/45/06/497304506.db2.gz RMQOVOUDRSXPIR-YTQUADARSA-N 2 0 363.571 3.374 20 0 FGADRP [NH3+][C@@H]1CCC[C@H](C(=O)NCC2CC[NH+](Cc3ccccc3Cl)CC2)C1 ZINC000237896448 497308975 /nfs/dbraw/zinc/30/89/75/497308975.db2.gz MDDXWVAGZAPZJL-FUHWJXTLSA-N 2 0 363.933 3.186 20 0 FGADRP [NH3+][C@@H](CCC(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1ccccc1 ZINC000237939384 497317260 /nfs/dbraw/zinc/31/72/60/497317260.db2.gz PJFXMQSYCUEBRX-UNMCSNQZSA-N 2 0 365.521 3.147 20 0 FGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCC(=O)Nc2ccccc2C)[C@H](C)C1 ZINC000189993369 497318985 /nfs/dbraw/zinc/31/89/85/497318985.db2.gz TYMHBKQFMPPDFV-RTBURBONSA-N 2 0 361.530 3.050 20 0 FGADRP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)c1ccc(-n2cccn2)cc1 ZINC000271432812 497348393 /nfs/dbraw/zinc/34/83/93/497348393.db2.gz BHMGEFXDALHTHJ-BULFRSBZSA-N 2 0 368.525 3.291 20 0 FGADRP C[C@H]1CC[N@H+](CCOc2ccc(NC(=O)C3CC[NH+](C4CC4)CC3)cc2)C1 ZINC000279211248 497369325 /nfs/dbraw/zinc/36/93/25/497369325.db2.gz PDBONUZJQOWGLA-KRWDZBQOSA-N 2 0 371.525 3.220 20 0 FGADRP CCN(CCC[NH+]1CCCC1)C(=O)NC[C@@H](c1ccc(C)cc1)[NH+](C)C ZINC000190144229 497374081 /nfs/dbraw/zinc/37/40/81/497374081.db2.gz LEVCNKKLUITKQE-FQEVSTJZSA-N 2 0 360.546 3.115 20 0 FGADRP CCC[N@H+](CC)Cc1ccc(C(=O)N2CCNC[C@@H]2c2cccnc2)cc1 ZINC000261680635 497431837 /nfs/dbraw/zinc/43/18/37/497431837.db2.gz BVLXUTHAZIDDCD-OAQYLSRUSA-N 2 0 366.509 3.100 20 0 FGADRP CC[C@@H](C(=O)N[C@@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21)[NH+](CC)CC ZINC000266869233 497434982 /nfs/dbraw/zinc/43/49/82/497434982.db2.gz XAQDYMAFVPFISG-MOPGFXCFSA-N 2 0 373.541 3.211 20 0 FGADRP CC[C@H](C(=O)N[C@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21)[NH+](CC)CC ZINC000266869235 497435049 /nfs/dbraw/zinc/43/50/49/497435049.db2.gz XAQDYMAFVPFISG-RBUKOAKNSA-N 2 0 373.541 3.211 20 0 FGADRP C[C@]1(C[NH3+])CCN(CC(=O)N[C@H](c2ccccc2)c2ccc(Cl)cc2)C1 ZINC000261776258 497447818 /nfs/dbraw/zinc/44/78/18/497447818.db2.gz MRGCNVVZUJKXTQ-NHCUHLMSSA-N 2 0 371.912 3.216 20 0 FGADRP Cc1ccccc1Cc1noc(CN2CC[C@@H](C)[C@@H](n3ccnc3)C2)n1 ZINC000245555992 497453907 /nfs/dbraw/zinc/45/39/07/497453907.db2.gz AHODMHBAXATJKA-AEFFLSMTSA-N 2 0 351.454 3.248 20 0 FGADRP C[C@H](CS(=O)(=O)c1ccccc1)[NH2+]CCCC[N@@H+]1CCCC[C@@H]1C ZINC000271830696 497463466 /nfs/dbraw/zinc/46/34/66/497463466.db2.gz QUESMYGXIZZPRE-MSOLQXFVSA-N 2 0 352.544 3.093 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H](C)c1cc(C)oc1C ZINC000245583892 497465156 /nfs/dbraw/zinc/46/51/56/497465156.db2.gz ACPQZBWEHKAFJB-SJLPKXTDSA-N 2 0 364.534 3.015 20 0 FGADRP C[N@H+]1CC=C(C[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccncc2)CC1 ZINC000271856159 497470853 /nfs/dbraw/zinc/47/08/53/497470853.db2.gz UXLBDTHAJRTSJY-UHFFFAOYSA-N 2 0 359.477 3.286 20 0 FGADRP C[N@@H+]1CC[C@H](NC(=O)NCCCCNc2ccccn2)[C@H]1c1ccccc1 ZINC000245610438 497472900 /nfs/dbraw/zinc/47/29/00/497472900.db2.gz BKGQTOPSRNKSTQ-AZUAARDMSA-N 2 0 367.497 3.018 20 0 FGADRP C[C@@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1cc2cc(Br)ccc2o1 ZINC000271862222 497473740 /nfs/dbraw/zinc/47/37/40/497473740.db2.gz KSSVOEZMYODRKT-GFCCVEGCSA-N 2 0 367.287 3.303 20 0 FGADRP CCN(C(=O)[C@@H]1CC12CC[NH2+]CC2)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000261987054 497487450 /nfs/dbraw/zinc/48/74/50/497487450.db2.gz XMFMUNOFAGGYKW-IHPCNDPISA-N 2 0 355.526 3.060 20 0 FGADRP C[NH2+]CCC1CC[NH+](Cc2csc(-c3ccc4c(c3)OCO4)n2)CC1 ZINC000261986273 497487940 /nfs/dbraw/zinc/48/79/40/497487940.db2.gz KAYNARGEZJKXIP-UHFFFAOYSA-N 2 0 359.495 3.360 20 0 FGADRP C[NH2+]CCC1CC[NH+]([C@H](C)C(=O)N(C)Cc2c(F)cccc2Cl)CC1 ZINC000262002099 497489665 /nfs/dbraw/zinc/48/96/65/497489665.db2.gz QDRRWTKDKDLPJJ-CQSZACIVSA-N 2 0 369.912 3.148 20 0 FGADRP CC[N@@H+]1CC[C@@H](Nc2cccc(N3CC[NH+](CC4CC4)CC3)c2)[C@@H](C)C1 ZINC000245652735 497490096 /nfs/dbraw/zinc/49/00/96/497490096.db2.gz BUACBRLMAJXVIQ-PGRDOPGGSA-N 2 0 356.558 3.361 20 0 FGADRP C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)N2CC[C@@](C)(C[NH3+])C2)c1 ZINC000262004874 497491727 /nfs/dbraw/zinc/49/17/27/497491727.db2.gz NTZIXKBLEPGIJE-QFIPXVFZSA-N 2 0 351.494 3.130 20 0 FGADRP CCN(CC)C(=O)CCC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000245664427 497492721 /nfs/dbraw/zinc/49/27/21/497492721.db2.gz GJZRIGNUQADAGK-WKCHPHFGSA-N 2 0 357.542 3.420 20 0 FGADRP OC[C@H]1CCC[N@@H+]1CCCC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC000245710060 497512452 /nfs/dbraw/zinc/51/24/52/497512452.db2.gz NAJSUWRUAOHWRS-KAOXLYBCSA-N 3 0 371.569 3.009 20 0 FGADRP O=C(NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)[C@H]1CCC[N@@H+]1C1CC1 ZINC000279703051 497514257 /nfs/dbraw/zinc/51/42/57/497514257.db2.gz JPHOSOINZFDADX-LJQANCHMSA-N 2 0 361.917 3.047 20 0 FGADRP CC(C)[C@@H](C[NH2+][C@@H](C)c1cc(Br)cs1)N1CC[NH+](C)CC1 ZINC000193964302 497534046 /nfs/dbraw/zinc/53/40/46/497534046.db2.gz VBZRYPBZKNIIAE-DZGCQCFKSA-N 2 0 374.392 3.433 20 0 FGADRP C[C@H](CCc1ccc(C(F)(F)F)cc1)[NH2+][C@@H](C)CN1CC[NH+](C)CC1 ZINC000193982632 497539229 /nfs/dbraw/zinc/53/92/29/497539229.db2.gz AJQJGFWCIRPGNY-CVEARBPZSA-N 2 0 357.464 3.252 20 0 FGADRP C[C@H](C(=O)NCc1ccc(C[NH+]2CCCC2)cc1)[C@H]([NH3+])c1ccccc1 ZINC000262627565 497586823 /nfs/dbraw/zinc/58/68/23/497586823.db2.gz COMNDICWKFMTOP-UWJYYQICSA-N 2 0 351.494 3.235 20 0 FGADRP CC[NH+](CC)CCN(Cc1cccs1)C(=O)C[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000262631511 497587328 /nfs/dbraw/zinc/58/73/28/497587328.db2.gz FLODNNMGJVQKAG-ZWKOTPCHSA-N 2 0 365.587 3.444 20 0 FGADRP Cc1ccc([C@H](CNC(=O)[C@@H](C)[C@H]([NH3+])c2ccccc2)[NH+]2CCCC2)o1 ZINC000262642213 497590098 /nfs/dbraw/zinc/59/00/98/497590098.db2.gz LKVWDMQDYSDMJB-QRFRQXIXSA-N 2 0 355.482 3.177 20 0 FGADRP C[C@H]([NH2+]C[C@@H]1CN(c2ccccc2)CCO1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000578334212 505917661 /nfs/dbraw/zinc/91/76/61/505917661.db2.gz CZKOWRIZTIJJFT-NNMXDRDESA-N 2 0 357.542 3.134 20 0 FGADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)Nc3ccc(CC[NH+]4CCCCC4)cc3)[C@H]2C1 ZINC000272388370 497615468 /nfs/dbraw/zinc/61/54/68/497615468.db2.gz ISKBOIWIFNERMF-CTNGQTDRSA-N 2 0 370.541 3.273 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)N(C)CC[C@H]2CCCC[NH+]2C)C1 ZINC000246105503 497623379 /nfs/dbraw/zinc/62/33/79/497623379.db2.gz HLTRJFBQCNJVOW-HSALFYBXSA-N 2 0 366.594 3.260 20 0 FGADRP [NH3+]CCCN(Cc1ccccc1)C(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000280024499 497623792 /nfs/dbraw/zinc/62/37/92/497623792.db2.gz HRGBEECFWZAFDT-UHFFFAOYSA-N 2 0 365.521 3.276 20 0 FGADRP CC[C@H](C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1)[NH+](CC)CC ZINC000569371748 505919231 /nfs/dbraw/zinc/91/92/31/505919231.db2.gz FAZUHPNFUILZSO-LJQANCHMSA-N 2 0 363.571 3.337 20 0 FGADRP C[C@@H](CCNC(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCCCC1 ZINC000194303711 497629816 /nfs/dbraw/zinc/62/98/16/497629816.db2.gz CTKZCFLBDUBYSO-PZJWPPBQSA-N 2 0 372.557 3.072 20 0 FGADRP CCO[C@@H]1C[C@@H]([NH2+][C@H](CN)c2ccc3ccccc3c2)C12CCOCC2 ZINC000578348892 505920059 /nfs/dbraw/zinc/92/00/59/505920059.db2.gz YVCPZUKGUFYQJA-NJDAHSKKSA-N 2 0 354.494 3.403 20 0 FGADRP Cc1cc(NC(=O)[C@](C)([NH3+])c2ccccc2)ccc1OCC[NH+]1CCCC1 ZINC000262907111 497653222 /nfs/dbraw/zinc/65/32/22/497653222.db2.gz QHCVHBGWVWSNHU-JOCHJYFZSA-N 2 0 367.493 3.282 20 0 FGADRP COc1cc(C[NH2+][C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc(OC)c1O ZINC000272538780 497655522 /nfs/dbraw/zinc/65/55/22/497655522.db2.gz CEYSSPCXFHLFDO-QFBILLFUSA-N 2 0 370.493 3.410 20 0 FGADRP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C[C@@H]([NH3+])c1ccccc1 ZINC000246241121 497671823 /nfs/dbraw/zinc/67/18/23/497671823.db2.gz DGAFEDINOUWMMK-PZJWPPBQSA-N 2 0 351.494 3.057 20 0 FGADRP C[C@@H](C[N@H+](C)CCCN1CC[NH+](C)CC1)c1cccc(Br)c1 ZINC000581158913 505923127 /nfs/dbraw/zinc/92/31/27/505923127.db2.gz MHJFJZSMFMKTPH-INIZCTEOSA-N 2 0 368.363 3.122 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NCCCC[NH+]2CCCC[C@@H]2C)[C@@H](C)C1 ZINC000246312981 497692140 /nfs/dbraw/zinc/69/21/40/497692140.db2.gz BMJHUNASDHWWHL-FHWLQOOXSA-N 2 0 352.567 3.013 20 0 FGADRP CC[NH+](CC)Cc1cccc(C[NH2+]Cc2ccc(N(C)CCOC)nc2)c1 ZINC000276948361 497695646 /nfs/dbraw/zinc/69/56/46/497695646.db2.gz IMDQQIPGYFAWNY-UHFFFAOYSA-N 2 0 370.541 3.296 20 0 FGADRP CC[NH+](CC)Cc1cccc(CNC(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000246335969 497700206 /nfs/dbraw/zinc/70/02/06/497700206.db2.gz OPOMJUHBLQAZGK-PXNSSMCTSA-N 2 0 360.546 3.153 20 0 FGADRP COC(=O)c1csc(-c2cccc(C[NH2+][C@@H]3CC[N@H+](C)[C@@H](C)C3)c2)n1 ZINC000276979262 497706035 /nfs/dbraw/zinc/70/60/35/497706035.db2.gz YZMJPLWHCCUQKN-XJKSGUPXSA-N 2 0 359.495 3.169 20 0 FGADRP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)CC3 ZINC000272707473 497708322 /nfs/dbraw/zinc/70/83/22/497708322.db2.gz ZYOLZRDFKINOQB-ZQMYSKGWSA-N 2 0 367.537 3.301 20 0 FGADRP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1ccc2c(c1)COC2 ZINC000272736574 497717313 /nfs/dbraw/zinc/71/73/13/497717313.db2.gz JURRQJUNMSECQB-ZHRRBRCNSA-N 2 0 352.478 3.134 20 0 FGADRP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)c1ccc2c(c1)OCCCO2 ZINC000246462949 497741993 /nfs/dbraw/zinc/74/19/93/497741993.db2.gz PYJVVCBKOYFVOK-FFZOFVMBSA-N 2 0 374.525 3.266 20 0 FGADRP COc1ccc([C@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CC[C@H](O)C2)cc1C ZINC000272854475 497745392 /nfs/dbraw/zinc/74/53/92/497745392.db2.gz IGQDMQSILKNYBH-UWJYYQICSA-N 2 0 354.494 3.421 20 0 FGADRP Cc1c([C@H](C)[NH2+]CCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cnn1C(C)(C)C ZINC000191231784 497750637 /nfs/dbraw/zinc/75/06/37/497750637.db2.gz FUROKOXQMWVRIV-BBWFWOEESA-N 2 0 350.551 3.487 20 0 FGADRP C[C@@H]1CCN(C(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[N@@H+]1Cc1ccccc1 ZINC000246495798 497753412 /nfs/dbraw/zinc/75/34/12/497753412.db2.gz PQFGZESOPIBGFN-LBFURVHYSA-N 2 0 355.526 3.030 20 0 FGADRP C[C@@H](C(=O)NCc1ccccc1Cl)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000194738348 497755451 /nfs/dbraw/zinc/75/54/51/497755451.db2.gz NPARZYHLMKAQOV-INIZCTEOSA-N 2 0 363.933 3.153 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N(C)[C@H]1CC[N@H+](CC)C[C@H]1C)c1ccccc1 ZINC000246531192 497765330 /nfs/dbraw/zinc/76/53/30/497765330.db2.gz VTMDOUDKKPQIHG-HLAWJBBLSA-N 2 0 374.573 3.441 20 0 FGADRP Cc1ccc([C@H](CNC(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)[NH+]2CCCC2)cc1 ZINC000246568707 497777127 /nfs/dbraw/zinc/77/71/27/497777127.db2.gz ZHWAWQLSNMQIHH-TYPHKJRUSA-N 2 0 372.557 3.256 20 0 FGADRP C[C@H](OC[C@@H](O)C[N@@H+]1CCC[C@@H]([NH+](C)C)CC1)c1ccc(Cl)cc1 ZINC000277229245 497782918 /nfs/dbraw/zinc/78/29/18/497782918.db2.gz OPARCIWBONVAAF-IPELMVKDSA-N 2 0 354.922 3.195 20 0 FGADRP Cc1cccc(-c2noc(CN3CC[C@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)n2)c1 ZINC000246828269 497814359 /nfs/dbraw/zinc/81/43/59/497814359.db2.gz NZTHPLRWPIHPKY-HKUYNNGSSA-N 2 0 352.482 3.494 20 0 FGADRP Clc1cccc(-c2n[nH]cc2C[NH2+]C2CCC([NH+]3CCNCC3)CC2)c1 ZINC000581238499 505941353 /nfs/dbraw/zinc/94/13/53/505941353.db2.gz IFJIPRKLOKKMFS-UHFFFAOYSA-N 2 0 373.932 3.036 20 0 FGADRP COCC[N@H+](C)CC[C@H](NC(=O)c1ccc([C@H](C)[NH3+])cc1)c1ccccc1 ZINC000572360915 505949985 /nfs/dbraw/zinc/94/99/85/505949985.db2.gz QWARBZLADXEMST-UWJYYQICSA-N 2 0 369.509 3.146 20 0 FGADRP COCCC[NH+]1CCC([NH2+][C@@H](C)[C@@H](C)c2ccc(OC)c(OC)c2)CC1 ZINC000280875022 497932397 /nfs/dbraw/zinc/93/23/97/497932397.db2.gz MUYSGFRWODPZMH-SJORKVTESA-N 2 0 364.530 3.286 20 0 FGADRP COCCn1cc(C[NH2+]C2CCC([N@H+](C)Cc3ccccc3)CC2)cn1 ZINC000284897681 497934426 /nfs/dbraw/zinc/93/44/26/497934426.db2.gz CBYXNNZGUHONQN-UHFFFAOYSA-N 2 0 356.514 3.062 20 0 FGADRP C[C@@H]1CN(C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)CC[NH+](C2CCC2)C1 ZINC000292279502 497950997 /nfs/dbraw/zinc/95/09/97/497950997.db2.gz LMRQTBDXHCLHKK-NFBKMPQASA-N 2 0 371.569 3.084 20 0 FGADRP C[C@@H](C[NH2+][C@@H](C)Cc1ccccc1C(F)(F)F)CN1CC[NH+](C)CC1 ZINC000280947088 497961622 /nfs/dbraw/zinc/96/16/22/497961622.db2.gz SXEBQAUSMICGFY-HOTGVXAUSA-N 2 0 357.464 3.110 20 0 FGADRP C[C@H](CC(=O)N1CCN(Cc2ccccc2Cl)CC1)[C@@H]1CCC[NH2+]C1 ZINC000572400820 505959668 /nfs/dbraw/zinc/95/96/68/505959668.db2.gz CLEBUDUQFJJYBW-IAGOWNOFSA-N 2 0 363.933 3.010 20 0 FGADRP CC[C@H]([NH2+]CCCN1CC[NH+](C(C)C)CC1)c1ccc(OC)c(OC)c1 ZINC000285250427 498034098 /nfs/dbraw/zinc/03/40/98/498034098.db2.gz AMDJSWRZWHAMAH-IBGZPJMESA-N 2 0 363.546 3.161 20 0 FGADRP CCN1CC[NH+](CCCC[NH2+][C@@H](C)c2ccc(OC)c(OC)c2C)CC1 ZINC000285627998 498152443 /nfs/dbraw/zinc/15/24/43/498152443.db2.gz LDNSIWPFQSABDH-SFHVURJKSA-N 2 0 363.546 3.081 20 0 FGADRP COc1ccc(NC(=O)CC[N@@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)cc1Cl ZINC000292848891 498169943 /nfs/dbraw/zinc/16/99/43/498169943.db2.gz BSRODIZXQRDAHB-IBGZPJMESA-N 2 0 365.905 3.095 20 0 FGADRP C[N@@H+]1CC[C@@H](NC(=O)c2ccc(C[NH+]3CCCC3)cc2)[C@H]1c1ccccc1 ZINC000569701029 505996779 /nfs/dbraw/zinc/99/67/79/505996779.db2.gz QJBPXSUOFMEZEE-FGZHOGPDSA-N 2 0 363.505 3.458 20 0 FGADRP COc1cccc(OC)c1OCCCC[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000292955720 498211188 /nfs/dbraw/zinc/21/11/88/498211188.db2.gz KYFVPMHJWCMULC-NRFANRHFSA-N 2 0 362.514 3.281 20 0 FGADRP COc1ccc(Cl)cc1NC(=O)CC[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000293031219 498242466 /nfs/dbraw/zinc/24/24/66/498242466.db2.gz ROWGTYUQFUZNHY-LJQANCHMSA-N 2 0 365.905 3.095 20 0 FGADRP CC[N@H+](Cc1ccc(C(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)cc1)C(C)C ZINC000289708060 498258891 /nfs/dbraw/zinc/25/88/91/498258891.db2.gz BPNKXUZKZUCZHQ-NRFANRHFSA-N 2 0 357.542 3.379 20 0 FGADRP [NH3+][C@H](CC(=O)NCC1CC[NH+](CCc2ccccc2)CC1)c1ccccc1 ZINC000360404359 498272484 /nfs/dbraw/zinc/27/24/84/498272484.db2.gz BRKHQBXNVLORKI-JOCHJYFZSA-N 2 0 365.521 3.147 20 0 FGADRP Cc1cc(N2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)c2ccccc2[nH+]1 ZINC000301811642 498274040 /nfs/dbraw/zinc/27/40/40/498274040.db2.gz BPNLGLWVBFTVLZ-DFNIBXOVSA-N 2 0 350.510 3.290 20 0 FGADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CC[C@H](Oc3ccc(Cl)cc3)C2)CC1 ZINC000293165267 498291259 /nfs/dbraw/zinc/29/12/59/498291259.db2.gz VDFCIGAHKDQRNM-FQEVSTJZSA-N 2 0 365.949 3.209 20 0 FGADRP CC1CCC2(CC1)OC[C@@H](C[NH2+]C1CCN(CCC(F)(F)F)CC1)O2 ZINC000360634473 498292005 /nfs/dbraw/zinc/29/20/05/498292005.db2.gz DQXYHLDAPNWEKH-ARWYELJZSA-N 2 0 364.452 3.315 20 0 FGADRP CC[C@H](C(=O)NCc1ccc(C[NH+](C)C)cc1)[N@H+](C)Cc1ccccc1 ZINC000581554740 506014035 /nfs/dbraw/zinc/01/40/35/506014035.db2.gz WKRDPDZNKKMEIX-OAQYLSRUSA-N 2 0 353.510 3.275 20 0 FGADRP COC[C@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2ccc(-c3c[nH]cn3)cc2)CC1 ZINC000569781302 506014083 /nfs/dbraw/zinc/01/40/83/506014083.db2.gz DIVLBESIILQNTH-CVEARBPZSA-N 2 0 356.470 3.152 20 0 FGADRP CC(C)[NH2+]CCC[NH2+][C@H](C)CC(=O)Nc1cccc(Br)c1 ZINC000578756715 506014197 /nfs/dbraw/zinc/01/41/97/506014197.db2.gz BMYSUOOYEOECCP-CYBMUJFWSA-N 2 0 356.308 3.144 20 0 FGADRP CC(C)[C@@H](C(=O)NCCCC[NH+]1CCC(Cc2ccccc2)CC1)[C@H](C)[NH3+] ZINC000572637906 506017932 /nfs/dbraw/zinc/01/79/32/506017932.db2.gz BYFDLKCJOOVHIT-SIKLNZKXSA-N 2 0 373.585 3.457 20 0 FGADRP C[C@@H]([NH2+]CC1CCN(c2cc[nH+]cc2)CC1)c1ccccc1-n1ccnn1 ZINC000286334125 498366753 /nfs/dbraw/zinc/36/67/53/498366753.db2.gz XZLBCMVQSKLAPY-QGZVFWFLSA-N 2 0 362.481 3.230 20 0 FGADRP CCC[NH+]1CCC(C[NH2+]C[C@H](O)COc2ccc3ccccc3c2)CC1 ZINC000581602593 506026264 /nfs/dbraw/zinc/02/62/64/506026264.db2.gz GYGJSWRIXHAQHI-NRFANRHFSA-N 2 0 356.510 3.291 20 0 FGADRP C[NH+](C)CCN(Cc1cccs1)C(=O)NCCCCC[NH+]1CCCC1 ZINC000297312946 498401158 /nfs/dbraw/zinc/40/11/58/498401158.db2.gz IGDMIIYZEBEBFO-UHFFFAOYSA-N 2 0 366.575 3.087 20 0 FGADRP CC[NH+]1CCN([C@H]2CC[N@H+](CCn3ccc4cc(Cl)ccc43)C2)CC1 ZINC000290032938 498402510 /nfs/dbraw/zinc/40/25/10/498402510.db2.gz QIXBNHMFNPQTOO-IBGZPJMESA-N 2 0 360.933 3.007 20 0 FGADRP Cc1[nH+]c2ccccc2c(N2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)c1C ZINC000302104450 498406317 /nfs/dbraw/zinc/40/63/17/498406317.db2.gz WRNJQFLZEZXCDU-IBGZPJMESA-N 2 0 352.526 3.458 20 0 FGADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1cc2cc(F)ccc2s1 ZINC000302177556 498429525 /nfs/dbraw/zinc/42/95/25/498429525.db2.gz XSVZIMSOLOTFGC-UHFFFAOYSA-N 2 0 365.518 3.386 20 0 FGADRP O[C@@H](C[NH2+]C1CC[NH+](C2CCCCC2)CC1)COc1ccccc1Cl ZINC000578859694 506038759 /nfs/dbraw/zinc/03/87/59/506038759.db2.gz HUQRUVJIAIMOBI-SFHVURJKSA-N 2 0 366.933 3.466 20 0 FGADRP CC1CC[NH+](C2CCC(NC(=O)NCc3ccc4c[nH+]cn4c3)CC2)CC1 ZINC000297518333 498477874 /nfs/dbraw/zinc/47/78/74/498477874.db2.gz ZKDBEBWOHQBISU-UHFFFAOYSA-N 2 0 369.513 3.177 20 0 FGADRP C[C@@H]([NH2+]C[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)C(C)(C)n1cncn1 ZINC000290294680 498499599 /nfs/dbraw/zinc/49/95/99/498499599.db2.gz YETYAZXASSMTRW-QUCCMNQESA-N 2 0 355.530 3.294 20 0 FGADRP Cc1ccc2[nH]c3c(c2c1)CCC[C@H]3[NH2+][C@H](C)CCN1CC[NH+](C)CC1 ZINC000290543302 498592054 /nfs/dbraw/zinc/59/20/54/498592054.db2.gz ZZQBUJWJRCFVJE-DYESRHJHSA-N 2 0 354.542 3.469 20 0 FGADRP C[C@@H](C[NH2+]C[C@H](C)CN1CC[NH+](C)CC1)c1ccc(C(F)(F)F)cc1 ZINC000290556405 498596684 /nfs/dbraw/zinc/59/66/84/498596684.db2.gz ZJKYDXGVUDAOTF-HOTGVXAUSA-N 2 0 357.464 3.282 20 0 FGADRP Cc1ccc([C@H](CNC(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)[NH+](C)C)cc1 ZINC000303269756 498659840 /nfs/dbraw/zinc/65/98/40/498659840.db2.gz HAOLEYCIPHJMCR-SFTDATJTSA-N 2 0 372.557 3.258 20 0 FGADRP Cc1ccc(NC(=O)N2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)c(OCC[NH+](C)C)c1 ZINC000287199768 498670484 /nfs/dbraw/zinc/67/04/84/498670484.db2.gz GEPWMGQKBMMDMF-ROUUACIJSA-N 2 0 374.529 3.026 20 0 FGADRP Cc1ccc2c(C[NH+]3CCC(CC[NH+]4CCOCC4)CC3)cc(=O)oc2c1 ZINC000363142363 498672978 /nfs/dbraw/zinc/67/29/78/498672978.db2.gz LDJKQFJLKFRSFG-UHFFFAOYSA-N 2 0 370.493 3.036 20 0 FGADRP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC2CC[NH+](CC(C)C)CC2)C1 ZINC000303444639 498675553 /nfs/dbraw/zinc/67/55/53/498675553.db2.gz GOVFKPRCGAIJJN-SFHVURJKSA-N 2 0 366.594 3.307 20 0 FGADRP CC1CC[NH+](CCc2cccc(NC(=O)N3CC[C@H]([NH3+])[C@@H](C)C3)c2)CC1 ZINC000570027101 506072536 /nfs/dbraw/zinc/07/25/36/506072536.db2.gz SXZCXMUIOLKXIT-PXNSSMCTSA-N 2 0 358.530 3.162 20 0 FGADRP Cc1ccc(NC(=O)N2CC[C@H]([NH+]3CCCC3)[C@H]2C)c(OCC[NH+](C)C)c1 ZINC000287268913 498695938 /nfs/dbraw/zinc/69/59/38/498695938.db2.gz LCCQXKGYKFSRCI-MJGOQNOKSA-N 2 0 374.529 3.026 20 0 FGADRP O[C@H](C[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1)COc1ccccc1Cl ZINC000311424424 498751159 /nfs/dbraw/zinc/75/11/59/498751159.db2.gz FQZZBEBSUQEYHA-RBUKOAKNSA-N 2 0 374.912 3.191 20 0 FGADRP NC1(C[NH2+][C@@H]2CCCC[C@H]2[C@@H]2CCOC2)CC[NH+](Cc2ccccc2)CC1 ZINC000570077658 506084800 /nfs/dbraw/zinc/08/48/00/506084800.db2.gz HMRDLQXLDPASAW-BHIFYINESA-N 2 0 371.569 3.165 20 0 FGADRP C[C@H]([NH2+]C[C@@H]1CCC2(CCOCC2)[C@H]1O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000283161778 498802982 /nfs/dbraw/zinc/80/29/82/498802982.db2.gz IQUMQQPIBBAERP-QESAQDPVSA-N 2 0 372.553 3.054 20 0 FGADRP O=C(c1ccccc1)N1CC[C@H](C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)C1 ZINC000283167740 498804497 /nfs/dbraw/zinc/80/44/97/498804497.db2.gz PIDKRZBWGPDQRU-CBQOVEMMSA-N 2 0 367.537 3.097 20 0 FGADRP c1ccc(-c2noc(CCC[N@@H+]3C[C@@H]4C[NH+]5CCCC[C@@H]5[C@H]4C3)n2)cc1 ZINC000363414144 498807177 /nfs/dbraw/zinc/80/71/77/498807177.db2.gz KPAQVXAYKKMNFQ-CEXWTWQISA-N 2 0 352.482 3.085 20 0 FGADRP [NH3+]CCCOC1CC[NH+](CCC(=O)Nc2cc(Cl)ccc2Cl)CC1 ZINC000325510508 498836698 /nfs/dbraw/zinc/83/66/98/498836698.db2.gz IIIIXTWJLXNOFC-UHFFFAOYSA-N 2 0 374.312 3.152 20 0 FGADRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000326444166 498842658 /nfs/dbraw/zinc/84/26/58/498842658.db2.gz BKDKGIHYOBCUHI-IAGOWNOFSA-N 2 0 369.575 3.098 20 0 FGADRP CC1CC[NH+](CCC[C@H]([NH2+]CCn2cncn2)c2ccc(F)cc2)CC1 ZINC000291219242 498848541 /nfs/dbraw/zinc/84/85/41/498848541.db2.gz NGJBZCQOXXOEME-FQEVSTJZSA-N 2 0 359.493 3.260 20 0 FGADRP Cc1nn(C)c(N2CCC[N@H+](C)CC2)c1C[NH2+]Cc1cc(C)c(C)cc1C ZINC000363534480 498866023 /nfs/dbraw/zinc/86/60/23/498866023.db2.gz MFPDGCQIZULLJO-UHFFFAOYSA-N 2 0 369.557 3.085 20 0 FGADRP CC(C)CC[NH+]1CCC(CNC(=O)NC2CC([NH+]3CCCCC3)C2)CC1 ZINC000366324409 498874910 /nfs/dbraw/zinc/87/49/10/498874910.db2.gz COGZMEVMGVGLOC-UHFFFAOYSA-N 2 0 364.578 3.061 20 0 FGADRP [NH3+][C@@H](CC(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000366416759 498916924 /nfs/dbraw/zinc/91/69/24/498916924.db2.gz ZHCYYFCKSLWJBD-CTNGQTDRSA-N 2 0 351.494 3.105 20 0 FGADRP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)N1CCC(CC[NH3+])CC1 ZINC000582008556 506111713 /nfs/dbraw/zinc/11/17/13/506111713.db2.gz RHAZRYMFYCMTOO-HXUWFJFHSA-N 2 0 372.557 3.058 20 0 FGADRP CCC[NH+]1CCN(c2ccccc2C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)CC1 ZINC000573090477 506116756 /nfs/dbraw/zinc/11/67/56/506116756.db2.gz FDSYNIQDBNSBNK-OAQYLSRUSA-N 3 0 370.585 3.040 20 0 FGADRP CCCOc1c(Br)cc(C[NH2+][C@@H](C)C[C@@H](C)[NH3+])cc1OC ZINC000576280184 506120135 /nfs/dbraw/zinc/12/01/35/506120135.db2.gz WAFBTIKNMVWZHI-NEPJUHHUSA-N 2 0 359.308 3.462 20 0 FGADRP C[NH+]1CCC(N2CCC([NH2+][C@H]3CSCCc4ccccc43)CC2)CC1 ZINC000363788245 498992319 /nfs/dbraw/zinc/99/23/19/498992319.db2.gz ZLULMPWYVUIOPC-NRFANRHFSA-N 2 0 359.583 3.165 20 0 FGADRP CC1CC[NH+]([C@@H](CNC(=O)N2CCC(CC[NH3+])CC2)c2ccccc2)CC1 ZINC000582068059 506126121 /nfs/dbraw/zinc/12/61/21/506126121.db2.gz VBRWECUFFOFQRG-NRFANRHFSA-N 2 0 372.557 3.230 20 0 FGADRP C[C@H](C[NH2+]Cc1cnc(-c2ccc(Cl)cc2)s1)N1CC[NH+](C)CC1 ZINC000283947311 499018175 /nfs/dbraw/zinc/01/81/75/499018175.db2.gz MLDIMRZGNSGEMA-CQSZACIVSA-N 2 0 364.946 3.189 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1cnc(C2CCC2)s1 ZINC000573140203 506127040 /nfs/dbraw/zinc/12/70/40/506127040.db2.gz FFQDPJDSPOJALA-QGZVFWFLSA-N 2 0 350.576 3.259 20 0 FGADRP C[N@H+]1CC=C(C[NH2+]Cc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)CC1 ZINC000366745366 499057782 /nfs/dbraw/zinc/05/77/82/499057782.db2.gz MVCQIZLJWNBCDY-UHFFFAOYSA-N 2 0 350.388 3.447 20 0 FGADRP C[NH+]1CCC(Oc2ccc(C[NH2+]Cc3ccc4c[nH]nc4c3)cc2)CC1 ZINC000284176377 499063658 /nfs/dbraw/zinc/06/36/58/499063658.db2.gz XGTQADHMJDJJPV-UHFFFAOYSA-N 2 0 350.466 3.326 20 0 FGADRP C[NH+]1CCC2(CCC[N@H+](Cc3nc(-c4ccc(F)c(F)c4)no3)C2)CC1 ZINC000366864237 499098767 /nfs/dbraw/zinc/09/87/67/499098767.db2.gz JRTHFHFLXHMMJM-UHFFFAOYSA-N 2 0 362.424 3.323 20 0 FGADRP COc1ccc([C@H]2C[C@@H]2[C@@H](C)[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)cc1 ZINC000284406791 499102427 /nfs/dbraw/zinc/10/24/27/499102427.db2.gz QAKOQYBVSFBJJR-WOSNLTMFSA-N 2 0 358.526 3.278 20 0 FGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@H](C)[C@H]2C[C@@H]2c2ccc(OC)cc2)CC1 ZINC000284463607 499111164 /nfs/dbraw/zinc/11/11/64/499111164.db2.gz TZQKWWVBLCIAKF-XHIHJMKYSA-N 2 0 359.558 3.050 20 0 FGADRP O=S1(=O)CC[C@H]([NH2+]CCCCC[NH+]2CCCCC2)c2cccc(F)c21 ZINC000372479757 499132842 /nfs/dbraw/zinc/13/28/42/499132842.db2.gz CKZCKSJVTHJBNL-SFHVURJKSA-N 2 0 368.518 3.290 20 0 FGADRP c1ccc(N2CC[NH+](CCCC[NH2+][C@H]3CCC34CCOCC4)CC2)cc1 ZINC000367088173 499146572 /nfs/dbraw/zinc/14/65/72/499146572.db2.gz ULPZPSNSVFBSSR-NRFANRHFSA-N 2 0 357.542 3.138 20 0 FGADRP C[NH+](C)Cc1cccc(C(=O)NC2CC[NH+](Cc3cccs3)CC2)c1 ZINC000369950482 499156199 /nfs/dbraw/zinc/15/61/99/499156199.db2.gz HKUULCPOZLGTQD-UHFFFAOYSA-N 2 0 357.523 3.204 20 0 FGADRP COCCC1(C[N@@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)CCCCC1 ZINC000372686372 499161204 /nfs/dbraw/zinc/16/12/04/499161204.db2.gz XMDLJSOPBUUPMV-HXUWFJFHSA-N 2 0 351.579 3.074 20 0 FGADRP CCC[C@@]1(CO)CC[NH+](CCCCC[N@H+]2CC[C@](CO)(CCC)C2)C1 ZINC000367369952 499189726 /nfs/dbraw/zinc/18/97/26/499189726.db2.gz JJAKQVMIRVQXIE-NHCUHLMSSA-N 2 0 354.579 3.126 20 0 FGADRP Cc1cc(Cl)ccc1NC(=O)N1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000367444361 499199641 /nfs/dbraw/zinc/19/96/41/499199641.db2.gz CHPYZSCSODVUCR-OAHLLOKOSA-N 2 0 364.921 3.281 20 0 FGADRP COc1c(C)cc([C@H](C)[NH2+][C@H]2CCN(C3CC[NH+](C)CC3)C2)cc1Cl ZINC000367625932 499219283 /nfs/dbraw/zinc/21/92/83/499219283.db2.gz ZSPOKIGMYBOHES-RDJZCZTQSA-N 2 0 365.949 3.476 20 0 FGADRP Cc1ccc(-c2cc(C[N@@H+](C)[C@@H]3CCN(C4CC[NH+](C)CC4)C3)on2)cc1 ZINC000367680391 499224111 /nfs/dbraw/zinc/22/41/11/499224111.db2.gz ARXSLYDQEVVZAG-HXUWFJFHSA-N 2 0 368.525 3.250 20 0 FGADRP Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)C12CCC[NH+]1CCC2 ZINC000370596841 499234569 /nfs/dbraw/zinc/23/45/69/499234569.db2.gz KPSSXGRMJBBADI-UHFFFAOYSA-N 2 0 359.539 3.111 20 0 FGADRP Cc1cccc2c1[nH+]cc(C)c2N1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000368493203 499301595 /nfs/dbraw/zinc/30/15/95/499301595.db2.gz IBJUJKNBHODKQL-ICSRJNTNSA-N 2 0 352.526 3.314 20 0 FGADRP O=C(CC1CC[NH2+]CC1)N1CCC[C@@H]1[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000371270568 499304451 /nfs/dbraw/zinc/30/44/51/499304451.db2.gz GAPDDYBFGDUASW-LEWJYISDSA-N 2 0 355.526 3.032 20 0 FGADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2Cc1cc(Br)cs1 ZINC000371294829 499306794 /nfs/dbraw/zinc/30/67/94/499306794.db2.gz NGEXFBWLNBRVRA-YUELXQCFSA-N 2 0 359.333 3.194 20 0 FGADRP C[C@H]1C[N@H+](CCCSCc2ccccc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000371301233 499307424 /nfs/dbraw/zinc/30/74/24/499307424.db2.gz DOJPVODPKIBLOU-FPOVZHCZSA-N 2 0 361.599 3.268 20 0 FGADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC2(C[C@H]2c2nnc3n2CCCCC3)CC1 ZINC000371329593 499310529 /nfs/dbraw/zinc/31/05/29/499310529.db2.gz KXWNHJMXSKEQGZ-ROUUACIJSA-N 2 0 357.546 3.058 20 0 FGADRP c1cc(C[C@@H]2CC[NH+](CCC[N@@H+]3CC[C@@H](Cc4ccncc4)C3)C2)ccn1 ZINC000368772772 499330863 /nfs/dbraw/zinc/33/08/63/499330863.db2.gz ACJIUDOMDVQNNH-GOTSBHOMSA-N 2 0 364.537 3.296 20 0 FGADRP C[C@@H](c1nc2ccccc2o1)[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000368836177 499338074 /nfs/dbraw/zinc/33/80/74/499338074.db2.gz WSVAOXDYQSNRNC-KRWDZBQOSA-N 2 0 356.514 3.238 20 0 FGADRP COc1ccc(-c2noc([C@H](C)[NH+]3CCC([C@H]4CCC[NH2+]4)CC3)n2)cc1 ZINC000576376169 506143490 /nfs/dbraw/zinc/14/34/90/506143490.db2.gz GBRRBQIYFJYUBJ-KBXCAEBGSA-N 2 0 356.470 3.270 20 0 FGADRP Cc1ccc([C@H](CNC(=O)NC2CC([NH+]3CCCCC3)C2)[NH+]2CCCC2)o1 ZINC000373487794 499472806 /nfs/dbraw/zinc/47/28/06/499472806.db2.gz XPQQHMBKILAAGJ-ACBHZAAOSA-N 2 0 374.529 3.041 20 0 FGADRP C[N@H+](CC1CCC(C(F)(F)F)CC1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000375214353 499496162 /nfs/dbraw/zinc/49/61/62/499496162.db2.gz FPRZJJTXRVPUMA-HTWSVDAQSA-N 2 0 361.496 3.455 20 0 FGADRP CN(c1ccccc1C[N@@H+]1CC[C@@]2(C1)CCCOC2)C1CC[NH+](C)CC1 ZINC000375301185 499504885 /nfs/dbraw/zinc/50/48/85/499504885.db2.gz FKKXFURILDWORN-JOCHJYFZSA-N 2 0 357.542 3.220 20 0 FGADRP C[C@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)[C@H]1C[C@@H]1c1cccs1 ZINC000375323247 499507124 /nfs/dbraw/zinc/50/71/24/499507124.db2.gz ZFXHEUCYBILSTJ-JQHSSLGASA-N 2 0 356.539 3.177 20 0 FGADRP C[C@@H]1C[C@H](NC(=O)[C@H]2C[NH2+]Cc3ccccc32)CC[N@@H+]1Cc1ccccc1 ZINC000379660708 499542947 /nfs/dbraw/zinc/54/29/47/499542947.db2.gz CTACDIMKQYTZKU-ZNLUXHQJSA-N 2 0 363.505 3.043 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000382717833 499546213 /nfs/dbraw/zinc/54/62/13/499546213.db2.gz IHURDKMKNNCNSB-LBFURVHYSA-N 2 0 355.526 3.030 20 0 FGADRP CC[NH+]1CCC(C[NH2+]Cc2cccc(I)c2)CC1 ZINC000385342894 499548123 /nfs/dbraw/zinc/54/81/23/499548123.db2.gz YCTPSUJYMKSQOZ-UHFFFAOYSA-N 2 0 358.267 3.113 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)[C@@H]([NH3+])CC1CCCCC1 ZINC000398058005 499566092 /nfs/dbraw/zinc/56/60/92/499566092.db2.gz LSIGCNMFHVKYLH-QMMLZNLJSA-N 2 0 357.542 3.311 20 0 FGADRP c1n[nH]cc1C1CC[NH+](CCCCC[NH+]2CCC(c3cn[nH]c3)CC2)CC1 ZINC000375899245 499566358 /nfs/dbraw/zinc/56/63/58/499566358.db2.gz BERCCBUOOYERMT-UHFFFAOYSA-N 2 0 370.545 3.362 20 0 FGADRP COc1cc(C[N@@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)ccc1SC ZINC000375902872 499567037 /nfs/dbraw/zinc/56/70/37/499567037.db2.gz GTDHSTBDHHIHRT-GOSISDBHSA-N 2 0 363.571 3.017 20 0 FGADRP C[C@H]1CCC[C@@H]([NH+]2CCC([NH2+]C3CCN(c4cccnn4)CC3)CC2)C1 ZINC000376982967 499651537 /nfs/dbraw/zinc/65/15/37/499651537.db2.gz PASYKSUCXXBHIY-FXAWDEMLSA-N 2 0 357.546 3.078 20 0 FGADRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)C[C@H]1CCCC[C@H]1[NH3+] ZINC000573253847 506154607 /nfs/dbraw/zinc/15/46/07/506154607.db2.gz GQMXJIATOGIQEF-POGPBNCUSA-N 2 0 357.542 3.167 20 0 FGADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCN(C)[C@H]2c2cccnc2)C[C@@H]1C ZINC000377255748 499674425 /nfs/dbraw/zinc/67/44/25/499674425.db2.gz JAYDKNQQMJZYDH-XCZFOBESSA-N 2 0 359.514 3.032 20 0 FGADRP CC[N@H+](C)Cc1cccc(CNC(=O)N(C)Cc2cn3c(n2)CCCC3)c1 ZINC000377311091 499678939 /nfs/dbraw/zinc/67/89/39/499678939.db2.gz XZDKVXICEHJYNE-UHFFFAOYSA-N 2 0 369.513 3.013 20 0 FGADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1N(C)C(=O)C1CC[NH+](C2CC2)CC1 ZINC000377468067 499693825 /nfs/dbraw/zinc/69/38/25/499693825.db2.gz LTBGXTHBIUPICS-PGRDOPGGSA-N 2 0 369.553 3.230 20 0 FGADRP O=C(NCC1CC1)[C@@H]1CCC[N@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000411173758 499706716 /nfs/dbraw/zinc/70/67/16/499706716.db2.gz NPPIFKFYJREEFN-JOCHJYFZSA-N 2 0 369.553 3.411 20 0 FGADRP Cc1nccn1-c1ccc([C@H](C)[N@@H+]2CC[C@@]3(C2)CCCN(C)C3=O)cc1 ZINC000377680454 499718909 /nfs/dbraw/zinc/71/89/09/499718909.db2.gz QCXGNGXFBYIGCV-HRAATJIYSA-N 2 0 352.482 3.186 20 0 FGADRP CCO[C@H]1C[C@H](O)C12CC[NH+](Cc1cccc(C[NH+]3CCCCC3)c1)CC2 ZINC000411278361 499720784 /nfs/dbraw/zinc/72/07/84/499720784.db2.gz AGKOFLMMRCOYFF-VXKWHMMOSA-N 2 0 372.553 3.424 20 0 FGADRP CC(C)[NH+]1CCN(CCC[NH2+][C@H]2c3ccccc3CC23CCOCC3)CC1 ZINC000377731327 499725895 /nfs/dbraw/zinc/72/58/95/499725895.db2.gz DGUDJXIKNQKISL-QFIPXVFZSA-N 2 0 371.569 3.086 20 0 FGADRP Cc1ncc(CN2CC[C@@H]([NH2+]Cc3c(C)nn(C)c3Cl)[C@H](C)C2)s1 ZINC000377794303 499734999 /nfs/dbraw/zinc/73/49/99/499734999.db2.gz YKRHGOHXHXJNRV-BDJLRTHQSA-N 2 0 367.950 3.147 20 0 FGADRP CN(C(=O)CC[NH+]1CCC(CCCn2ccnc2)CC1)c1ccccc1 ZINC000411501639 499748285 /nfs/dbraw/zinc/74/82/85/499748285.db2.gz HYRQKKBVNOYFTM-UHFFFAOYSA-N 2 0 354.498 3.428 20 0 FGADRP C[C@H]1C[C@@H](C(=O)NC[C@@H]2CC[NH+](C)[C@@H]2c2cccc(Cl)c2)CC[N@@H+]1C ZINC000377928308 499748784 /nfs/dbraw/zinc/74/87/84/499748784.db2.gz XKXRESZPPNNIPM-PCODUJHASA-N 2 0 363.933 3.179 20 0 FGADRP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NCC(=O)N1CCCC[C@@H]1C ZINC000411527368 499751270 /nfs/dbraw/zinc/75/12/70/499751270.db2.gz FVXUHXGVZVVYKM-QRVBRYPASA-N 2 0 357.542 3.134 20 0 FGADRP COc1ccccc1/C=C/C[NH2+]CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000377977547 499752849 /nfs/dbraw/zinc/75/28/49/499752849.db2.gz LXMUREZACGOKOH-FNORWQNLSA-N 2 0 371.569 3.494 20 0 FGADRP C[C@H](CC[NH+]1CCC[C@@H]([NH+](C)C)CC1)CC[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000411638563 499771975 /nfs/dbraw/zinc/77/19/75/499771975.db2.gz RZOSBRBEYAXBRI-DKUWSORSSA-N 4 0 366.638 3.235 20 0 FGADRP C[C@@H]1CCC[N@H+](Cc2ccccc2C[NH2+]Cc2cnc(N(C)C)n2C)C1 ZINC000414294623 499775136 /nfs/dbraw/zinc/77/51/36/499775136.db2.gz WTJOAGGWBNKPSC-QGZVFWFLSA-N 2 0 355.530 3.008 20 0 FGADRP Oc1cccc2c1CCC[C@@H]2[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000414310471 499776500 /nfs/dbraw/zinc/77/65/00/499776500.db2.gz TWYMOKYXCJEFQN-NRFANRHFSA-N 2 0 366.505 3.386 20 0 FGADRP CC1(C)CCC([NH2+]Cc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)CC1 ZINC000414325861 499777843 /nfs/dbraw/zinc/77/78/43/499777843.db2.gz MWVZWMARLGSXIE-UHFFFAOYSA-N 2 0 357.542 3.442 20 0 FGADRP CC(C)(C)[C@H]1CC[C@@H]1[NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000414342937 499779348 /nfs/dbraw/zinc/77/93/48/499779348.db2.gz PVFIZMNKHWAHLG-PMACEKPBSA-N 2 0 357.542 3.298 20 0 FGADRP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccc(C(F)(F)F)c(C)c3)C2)CC1 ZINC000414378901 499783439 /nfs/dbraw/zinc/78/34/39/499783439.db2.gz BTXSKWHGHRKIHG-QGZVFWFLSA-N 2 0 355.448 3.226 20 0 FGADRP CCCn1nc(C)c(C[NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)c1C ZINC000414532110 499804264 /nfs/dbraw/zinc/80/42/64/499804264.db2.gz ALSMYGBXQYMYNZ-UHFFFAOYSA-N 2 0 370.541 3.027 20 0 FGADRP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+]2CC(C)(C)C[C@@H]2C)CC1 ZINC000412044459 499816562 /nfs/dbraw/zinc/81/65/62/499816562.db2.gz OOTGOHZOLRBEQO-SFHVURJKSA-N 2 0 357.542 3.196 20 0 FGADRP C[C@H]1CC(C)(C)C[N@@H+]1CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000412046907 499816910 /nfs/dbraw/zinc/81/69/10/499816910.db2.gz RWCZIWUAQRHQIQ-INIZCTEOSA-N 2 0 361.555 3.294 20 0 FGADRP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)Nc1ccc([C@@H](C)[NH3+])cc1 ZINC000414731869 499824361 /nfs/dbraw/zinc/82/43/61/499824361.db2.gz SZSPWLGVKBODNB-MRXNPFEDSA-N 2 0 367.497 3.411 20 0 FGADRP CCCCc1oc2ccccc2c1C[N@H+](C)C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414744510 499825930 /nfs/dbraw/zinc/82/59/30/499825930.db2.gz WMQJSMGALNLMTQ-QGZVFWFLSA-N 2 0 371.525 3.405 20 0 FGADRP COc1ccc(Br)c(C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000414771742 499828979 /nfs/dbraw/zinc/82/89/79/499828979.db2.gz AIXFKOZWQPDDJD-ZIAGYGMSSA-N 2 0 353.304 3.279 20 0 FGADRP CC[C@@H](CCc1ccc(Br)cc1)[NH2+]CCCN1CC[NH2+]CC1 ZINC000414780802 499830564 /nfs/dbraw/zinc/83/05/64/499830564.db2.gz MBWANYNTTAOBNS-SFHVURJKSA-N 2 0 368.363 3.045 20 0 FGADRP C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000414838233 499836222 /nfs/dbraw/zinc/83/62/22/499836222.db2.gz LCJBHWDSFSYRKP-CVEARBPZSA-N 2 0 351.922 3.056 20 0 FGADRP C[C@H](C[NH3+])C[NH2+][C@@H](C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000414882829 499840940 /nfs/dbraw/zinc/84/09/40/499840940.db2.gz UPDOOUHRWNOEEA-ZJUUUORDSA-N 2 0 351.800 3.260 20 0 FGADRP CCOc1cc(C[NH2+][C@@H](C)CC[NH3+])cc(Br)c1OC(F)F ZINC000414894223 499842267 /nfs/dbraw/zinc/84/22/67/499842267.db2.gz ZFGRMVHUHXMMRR-VIFPVBQESA-N 2 0 367.234 3.276 20 0 FGADRP CC1(C[NH2+]Cc2cc(Cl)ccc2OC[C@H]2CCCO2)CC[NH2+]CC1 ZINC000414907233 499843709 /nfs/dbraw/zinc/84/37/09/499843709.db2.gz QDKZNGZOBRKAQK-QGZVFWFLSA-N 2 0 352.906 3.377 20 0 FGADRP COc1cc(CN[C@H]2C[NH2+]CC[C@H]2C)cc(OC)c1OCc1ccccc1 ZINC000414932601 499845764 /nfs/dbraw/zinc/84/57/64/499845764.db2.gz RIBBDQBCEBJUAE-APWZRJJASA-N 2 0 370.493 3.370 20 0 FGADRP COc1ccc(C[NH2+][C@@H]2CC[NH2+]CC2(C)C)cc1OCc1cccnc1 ZINC000414966105 499849702 /nfs/dbraw/zinc/84/97/02/499849702.db2.gz FZZCVRLMOZZAHA-HXUWFJFHSA-N 2 0 355.482 3.147 20 0 FGADRP C[C@@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000414976797 499850786 /nfs/dbraw/zinc/85/07/86/499850786.db2.gz QITBHZWBEWZTCU-UONOGXRCSA-N 2 0 373.419 3.424 20 0 FGADRP C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]C[C@@H]1CCC[C@H]([NH3+])C1 ZINC000414992641 499852391 /nfs/dbraw/zinc/85/23/91/499852391.db2.gz BWOGTCJJEXOVOB-INMHGKMJSA-N 2 0 351.922 3.184 20 0 FGADRP C[C@@H](CCc1ccc(Cl)s1)[NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000414993212 499852587 /nfs/dbraw/zinc/85/25/87/499852587.db2.gz UDGCQACDRKIMAZ-WCQYABFASA-N 2 0 369.884 3.148 20 0 FGADRP Cc1cccn2cc(COc3ccc(C[NH2+][C@H](C)CCC[NH3+])cc3)nc12 ZINC000415025780 499855843 /nfs/dbraw/zinc/85/58/43/499855843.db2.gz RPNAJAHWDUWPPM-QGZVFWFLSA-N 2 0 352.482 3.439 20 0 FGADRP Cc1cc(Br)cn2c(C[NH2+]C[C@H]3CC[C@H](C[NH3+])CC3)cnc12 ZINC000415027775 499856197 /nfs/dbraw/zinc/85/61/97/499856197.db2.gz WWQVVMIBTUPAED-HDJSIYSDSA-N 2 0 365.319 3.260 20 0 FGADRP CCC[NH+]1CCN(c2ccccc2C[NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)CC1 ZINC000415027917 499856199 /nfs/dbraw/zinc/85/61/99/499856199.db2.gz XRQFTMRMUWNONH-MXVIHJGJSA-N 3 0 358.574 3.073 20 0 FGADRP [NH3+]C[C@H]1CC[C@@H]([NH2+]C2CCN(Cc3ccccc3Br)CC2)C1 ZINC000415045475 499857828 /nfs/dbraw/zinc/85/78/28/499857828.db2.gz UCHHBQWVHXUTFZ-WMLDXEAASA-N 2 0 366.347 3.131 20 0 FGADRP c1csc(-c2ncc(C[NH2+]C3CCC(N4CC[NH2+]CC4)CC3)s2)c1 ZINC000415057673 499859375 /nfs/dbraw/zinc/85/93/75/499859375.db2.gz RZZOLVYGTHRRFV-UHFFFAOYSA-N 2 0 362.568 3.178 20 0 FGADRP COc1ccc(CC[NH2+][C@@H](C)C[C@@H]2CCCCC[NH2+]2)c(OC)c1OC ZINC000415075307 499861069 /nfs/dbraw/zinc/86/10/69/499861069.db2.gz BGOPMCMJKNYDIA-RDJZCZTQSA-N 2 0 350.503 3.155 20 0 FGADRP [NH3+][C@H]1CCCO[C@@H]1C1CC[NH+](Cc2ccc(OCC(F)(F)F)cc2)CC1 ZINC000415124427 499866738 /nfs/dbraw/zinc/86/67/38/499866738.db2.gz KFAWNPSAMNHPFG-ZWKOTPCHSA-N 2 0 372.431 3.346 20 0 FGADRP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000415124003 499866871 /nfs/dbraw/zinc/86/68/71/499866871.db2.gz LXXUIDHGLNHPSK-YADHBBJMSA-N 3 0 373.585 3.363 20 0 FGADRP CC1CC[NH+](CCc2cccc(NC(=O)N3CC[C@@H]4C[NH2+]C[C@@H]4C3)c2)CC1 ZINC000415386873 499890558 /nfs/dbraw/zinc/89/05/58/499890558.db2.gz GQOAZSMDLFSNOA-WOJBJXKFSA-N 2 0 370.541 3.034 20 0 FGADRP CC1CC[NH+](CCc2cccc(NC(=O)N3C[C@@H](C)[NH2+]C[C@@H]3C)c2)CC1 ZINC000415386803 499890679 /nfs/dbraw/zinc/89/06/79/499890679.db2.gz GKZUHAJUXKLNSV-MSOLQXFVSA-N 2 0 358.530 3.175 20 0 FGADRP CC1CC[NH+](CCc2cccc(NC(=O)N3C[C@@H](C)[NH2+]C[C@H]3C)c2)CC1 ZINC000415386807 499890696 /nfs/dbraw/zinc/89/06/96/499890696.db2.gz GKZUHAJUXKLNSV-QZTJIDSGSA-N 2 0 358.530 3.175 20 0 FGADRP C[NH2+]C[C@H]1CCCN1C(=O)Nc1cccc(CC[NH+]2CCC(C)CC2)c1 ZINC000415391570 499891012 /nfs/dbraw/zinc/89/10/12/499891012.db2.gz LZBFNKFDZMUUEC-HXUWFJFHSA-N 2 0 358.530 3.177 20 0 FGADRP C[NH+](C)CCc1ccccc1NC(=O)NCC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000415573798 499903337 /nfs/dbraw/zinc/90/33/37/499903337.db2.gz OIFSMCQYMCDDBK-UHFFFAOYSA-N 2 0 370.541 3.066 20 0 FGADRP C[NH+](C)[C@H]1CCc2cc(NC(=O)N3CCC([C@@H]4CCC[NH2+]4)CC3)ccc21 ZINC000415786190 499918763 /nfs/dbraw/zinc/91/87/63/499918763.db2.gz JPHKBXUCGWVLTD-PMACEKPBSA-N 2 0 356.514 3.231 20 0 FGADRP C[NH2+]Cc1ccccc1NC(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000415903230 499926082 /nfs/dbraw/zinc/92/60/82/499926082.db2.gz PZKYEKIPTCUASE-SFHVURJKSA-N 2 0 360.889 3.484 20 0 FGADRP C[NH2+]Cc1ccccc1NC(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000415906356 499926753 /nfs/dbraw/zinc/92/67/53/499926753.db2.gz XKDYBKCIWQOOIO-HXUWFJFHSA-N 2 0 352.482 3.365 20 0 FGADRP CC[NH2+]Cc1cccc(NC(=O)NCc2ccc(CC[NH+](C)C)cc2)c1 ZINC000415910571 499927256 /nfs/dbraw/zinc/92/72/56/499927256.db2.gz BWXSGGFFHWVFLV-UHFFFAOYSA-N 2 0 354.498 3.222 20 0 FGADRP CC[NH2+]Cc1cccc(NC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000415915592 499927955 /nfs/dbraw/zinc/92/79/55/499927955.db2.gz ZJYLHMGSYAFTLR-FXAWDEMLSA-N 2 0 356.514 3.277 20 0 FGADRP C[NH2+]Cc1ccccc1NC(=O)NC[C@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000415918254 499928285 /nfs/dbraw/zinc/92/82/85/499928285.db2.gz FRUUXFIUQNXYAR-OAQYLSRUSA-N 2 0 366.509 3.438 20 0 FGADRP C[C@H]([NH2+]C(C)(C)CNC(=O)Nc1ccc(OCC[NH3+])cc1)c1ccccc1 ZINC000415935536 499930553 /nfs/dbraw/zinc/93/05/53/499930553.db2.gz JUZMHVCAGFOTOM-INIZCTEOSA-N 2 0 370.497 3.275 20 0 FGADRP COc1cc2[nH+]ccc(N3C[C@@H](SC)[C@H]([NH+]4CCCC4)C3)c2cc1OC ZINC000413232291 499930573 /nfs/dbraw/zinc/93/05/73/499930573.db2.gz OHOGSDFKEBZKGO-YLJYHZDGSA-N 2 0 373.522 3.268 20 0 FGADRP CC[NH2+]Cc1ccccc1NC(=O)NC[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000415938769 499931095 /nfs/dbraw/zinc/93/10/95/499931095.db2.gz BATSCUHMQRKZHP-KRWDZBQOSA-N 2 0 366.509 3.364 20 0 FGADRP CC[C@H](C)[NH2+][C@@H](CNC(=O)Nc1ccc2c(c1F)CC[NH2+]C2)c1ccco1 ZINC000415954629 499933145 /nfs/dbraw/zinc/93/31/45/499933145.db2.gz KXIYHIVVAAULAA-GUYCJALGSA-N 2 0 374.460 3.315 20 0 FGADRP CC[NH+](CC)[C@@H]1CCN(C(=O)Nc2cc(C[NH3+])cc(C(F)(F)F)c2)C1 ZINC000415955421 499933164 /nfs/dbraw/zinc/93/31/64/499933164.db2.gz MMDXQJWDUVRGQQ-OAHLLOKOSA-N 2 0 358.408 3.112 20 0 FGADRP O=C(Nc1ccc2c(c1F)CC[NH2+]C2)N1CC[NH+](CC2CCCCC2)CC1 ZINC000415961856 499934122 /nfs/dbraw/zinc/93/41/22/499934122.db2.gz SBOCLMXVMHPTDA-UHFFFAOYSA-N 2 0 374.504 3.201 20 0 FGADRP CC(C)[NH2+]C1CCN(C(=O)Nc2cc(C[NH3+])cc(C(F)(F)F)c2)CC1 ZINC000415965946 499934713 /nfs/dbraw/zinc/93/47/13/499934713.db2.gz FUHYAJAPIPGAHD-UHFFFAOYSA-N 2 0 358.408 3.158 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)Nc1ccc(C[NH3+])cc1 ZINC000415970629 499935328 /nfs/dbraw/zinc/93/53/28/499935328.db2.gz FKLOZTHZWYBXCW-QGZVFWFLSA-N 2 0 352.482 3.274 20 0 FGADRP CC(C)(C[NH+]1CCCC1)NC(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000415977143 499936220 /nfs/dbraw/zinc/93/62/20/499936220.db2.gz WGBSPARBMVSUQW-UHFFFAOYSA-N 2 0 358.408 3.160 20 0 FGADRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)Nc1ccc(C[NH3+])cc1 ZINC000415979347 499936596 /nfs/dbraw/zinc/93/65/96/499936596.db2.gz QNEHXYWMBWMUMW-LFUKPOHLSA-N 2 0 366.509 3.423 20 0 FGADRP C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)Nc2ccc3c(c2)C[NH2+]C3)C1 ZINC000415995851 499938848 /nfs/dbraw/zinc/93/88/48/499938848.db2.gz LYNIBBLNZXNYCT-DLBZAZTESA-N 2 0 356.514 3.408 20 0 FGADRP C[N@H+](Cc1ccccc1)[C@@H](CNC(=O)Nc1ccc2c(c1)C[NH2+]C2)C1CC1 ZINC000416008687 499940438 /nfs/dbraw/zinc/94/04/38/499940438.db2.gz MQMVHGCXCLYBGT-NRFANRHFSA-N 2 0 364.493 3.322 20 0 FGADRP C[NH2+]Cc1ccc(NC(=O)NC[C@H](C2CC2)[N@H+](C)Cc2ccccc2)cc1 ZINC000416021077 499941700 /nfs/dbraw/zinc/94/17/00/499941700.db2.gz YJNALMGDNNOYNV-OAQYLSRUSA-N 2 0 366.509 3.438 20 0 FGADRP C[C@H]1CN(C(=O)NC2CCC(C[NH+](C)C)CC2)CCN1Cc1ccccc1 ZINC000413406452 499949745 /nfs/dbraw/zinc/94/97/45/499949745.db2.gz QJNJBQILXMIQBT-PELRDEGISA-N 2 0 372.557 3.023 20 0 FGADRP C[C@@H]([NH3+])c1ccc(CNC(=O)NCCCC[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000417034564 499953403 /nfs/dbraw/zinc/95/34/03/499953403.db2.gz GAPRMTORGGUFEI-KZNAEPCWSA-N 2 0 360.546 3.264 20 0 FGADRP C[NH+](C)CCOc1cccc(NC(=O)CC[N@@H+]2CCc3ccccc3C2)c1 ZINC000416142061 499956778 /nfs/dbraw/zinc/95/67/78/499956778.db2.gz FMGCJYDIKQOVJC-UHFFFAOYSA-N 2 0 367.493 3.014 20 0 FGADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)N[C@@H](CCC[NH3+])c2ccccc2)C1 ZINC000417050947 499958279 /nfs/dbraw/zinc/95/82/79/499958279.db2.gz YKGIFLSYPYWOJZ-QUCCMNQESA-N 2 0 360.546 3.278 20 0 FGADRP C[NH+](C)CCc1ccc(NC(=O)[C@@H]2C[NH2+]C[C@H]2c2ccc(Cl)cc2)cc1 ZINC000582249084 506168486 /nfs/dbraw/zinc/16/84/86/506168486.db2.gz DKBUOUBLHCIWLM-VQTJNVASSA-N 2 0 371.912 3.386 20 0 FGADRP COc1ccc([C@H](C[NH+](C)C)NC(=O)C[C@H](c2ccccc2)[NH+](C)C)cc1 ZINC000416241030 499992062 /nfs/dbraw/zinc/99/20/62/499992062.db2.gz KRNRBDOSWXTYCP-LEWJYISDSA-N 2 0 369.509 3.107 20 0 FGADRP C[C@H](C[C@H](C)[NH3+])NC(=O)NCc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000570449165 506169849 /nfs/dbraw/zinc/16/98/49/506169849.db2.gz NHTRRGGJTWNOEK-DLBZAZTESA-N 2 0 368.525 3.340 20 0 FGADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]CCNc1ncc(C(F)(F)F)cc1Cl ZINC000573315583 506170179 /nfs/dbraw/zinc/17/01/79/506170179.db2.gz FWNCBPRVJRUUTQ-OLZOCXBDSA-N 2 0 350.816 3.415 20 0 FGADRP CC[NH+]1CCC(N2CCC[N@H+](CCCc3ccc4c(c3)CCO4)CC2)CC1 ZINC000421370382 500029533 /nfs/dbraw/zinc/02/95/33/500029533.db2.gz IOOVMXMKPQKXLS-UHFFFAOYSA-N 2 0 371.569 3.046 20 0 FGADRP Cc1ccc([C@@H](CNC(=O)N2CCC([C@H]3[NH2+]CC3(C)C)CC2)[NH+](C)C)cc1 ZINC000417310926 500036488 /nfs/dbraw/zinc/03/64/88/500036488.db2.gz KYZQEIIPDFMWCT-WOJBJXKFSA-N 2 0 372.557 3.017 20 0 FGADRP Cc1ccc([C@H](CNC(=O)N[C@H](CCC[NH3+])c2ccccc2)[NH+](C)C)cc1 ZINC000417315276 500037136 /nfs/dbraw/zinc/03/71/36/500037136.db2.gz SAFYZMDGQYRASZ-RTWAWAEBSA-N 2 0 368.525 3.377 20 0 FGADRP COC1([C@@H](C)[NH2+]C2CC[NH+]([C@H](C)Cc3ccccc3)CC2)CCOCC1 ZINC000421406375 500040052 /nfs/dbraw/zinc/04/00/52/500040052.db2.gz SXRSLRWSPXAVIY-RTBURBONSA-N 2 0 360.542 3.256 20 0 FGADRP O=C(NCc1cccc(C[NH+]2CCCCCC2)c1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000417351680 500047067 /nfs/dbraw/zinc/04/70/67/500047067.db2.gz DEOMENSKHQDXGS-NRFANRHFSA-N 2 0 370.541 3.099 20 0 FGADRP C[C@H]1CCC[C@@H]([NH+]2CCC([NH2+]CC(C)(C)C3(O)CCOCC3)CC2)C1 ZINC000417377535 500053717 /nfs/dbraw/zinc/05/37/17/500053717.db2.gz GAGZRDFXXQHVRX-PKOBYXMFSA-N 2 0 352.563 3.187 20 0 FGADRP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]CC(C)(C)C2(O)CCOCC2)CC1 ZINC000417386272 500056868 /nfs/dbraw/zinc/05/68/68/500056868.db2.gz SRHHGYAHPOMVGV-IEBWSBKVSA-N 2 0 352.563 3.187 20 0 FGADRP CC(C)c1ccc([C@H]([NH3+])CNC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)cc1 ZINC000416789586 500120961 /nfs/dbraw/zinc/12/09/61/500120961.db2.gz DQJZHKDCFUAJNC-GOSISDBHSA-N 2 0 360.546 3.418 20 0 FGADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)NCc1ccc2c(c1)C[NH2+]C2)c1ccccc1 ZINC000417616092 500125833 /nfs/dbraw/zinc/12/58/33/500125833.db2.gz ARUQUJNCYSBDJQ-MRXNPFEDSA-N 2 0 366.509 3.218 20 0 FGADRP C[C@H](C[NH2+][C@@H](C)c1csc(-c2ccccc2)n1)CN1CC[NH+](C)CC1 ZINC000414068943 500143908 /nfs/dbraw/zinc/14/39/08/500143908.db2.gz IVYPNRBFXILFTD-SJORKVTESA-N 2 0 358.555 3.344 20 0 FGADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H](O)COc2ccc(C(C)(C)C)cc2)[C@@H](C)C1 ZINC000429785222 500144969 /nfs/dbraw/zinc/14/49/69/500144969.db2.gz LLCYZXOAQFBAPO-DSKINZAPSA-N 2 0 362.558 3.386 20 0 FGADRP CC[NH2+]CC1CCN(C(=O)NCc2ccccc2C[NH+]2CCCCC2)CC1 ZINC000416910202 500154281 /nfs/dbraw/zinc/15/42/81/500154281.db2.gz YTCNPAWFFUTLJB-UHFFFAOYSA-N 2 0 372.557 3.204 20 0 FGADRP C[C@H]([NH2+]CCN1CC[NH+](Cc2ccccc2)CC1)c1ccncc1Cl ZINC000421815534 500157432 /nfs/dbraw/zinc/15/74/32/500157432.db2.gz MXYQKSPFGSUYKX-KRWDZBQOSA-N 2 0 358.917 3.203 20 0 FGADRP CN(C(=O)NCc1ccccc1-c1ccc(C[NH+](C)C)cc1)C1CC([NH3+])C1 ZINC000416952426 500164682 /nfs/dbraw/zinc/16/46/82/500164682.db2.gz GQXNDZONPZSPTR-UHFFFAOYSA-N 2 0 366.509 3.046 20 0 FGADRP CON1CCC([NH2+][C@@H]2CCCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000421869846 500166939 /nfs/dbraw/zinc/16/69/39/500166939.db2.gz DRWMGXBKPMXVNK-BAGYTPMASA-N 2 0 357.542 3.293 20 0 FGADRP C[C@@H](C[NH3+])NC(=O)NCc1ccccc1-c1ccc(C[NH+]2CCCC2)cc1 ZINC000416967122 500168725 /nfs/dbraw/zinc/16/87/25/500168725.db2.gz WRFMHDNEOFMQNC-KRWDZBQOSA-N 2 0 366.509 3.096 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000416983525 500174842 /nfs/dbraw/zinc/17/48/42/500174842.db2.gz XARAZSFXORQLJI-DYESRHJHSA-N 2 0 370.541 3.097 20 0 FGADRP C[NH+](C)CCN1CCC([NH2+]Cc2cc(Cl)ccc2OCC2CC2)CC1 ZINC000429998561 500179429 /nfs/dbraw/zinc/17/94/29/500179429.db2.gz BPTAELREPRBBFR-UHFFFAOYSA-N 2 0 365.949 3.244 20 0 FGADRP C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)NC3CCC([NH3+])CC3)cc2)C1 ZINC000416996708 500179490 /nfs/dbraw/zinc/17/94/90/500179490.db2.gz UZHPAYFMEKCFAU-AMZMEHNNSA-N 2 0 372.557 3.234 20 0 FGADRP CCCN(C(=O)NC[C@@H](c1ccsc1)[NH+](CC)CC)C1CC[NH2+]CC1 ZINC000417005588 500182254 /nfs/dbraw/zinc/18/22/54/500182254.db2.gz JBFXTOKRRWAXHG-SFHVURJKSA-N 2 0 366.575 3.305 20 0 FGADRP CCCC[N@H+](CC)Cc1cccc(CNC(=O)N2CC[C@H](C)[C@H](C[NH3+])C2)c1 ZINC000417868773 500188096 /nfs/dbraw/zinc/18/80/96/500188096.db2.gz DBLJXIYOLNQZIK-GHTZIAJQSA-N 2 0 374.573 3.435 20 0 FGADRP CC(C)C[C@H](CNC(=O)NCC[C@@H]1CC[NH2+]C1)[NH2+][C@H](C)c1ccccc1 ZINC000417876247 500189471 /nfs/dbraw/zinc/18/94/71/500189471.db2.gz OTFWLTMUAUBHQA-WSTZPKSXSA-N 2 0 360.546 3.051 20 0 FGADRP CC(C)C[C@H](CNC(=O)N1CC[C@@]2(CC[NH2+]C2)C1)[NH2+][C@H](C)c1ccccc1 ZINC000417882698 500191359 /nfs/dbraw/zinc/19/13/59/500191359.db2.gz VGCQFXBBSRTQHG-SYYKKAFVSA-N 2 0 372.557 3.147 20 0 FGADRP CCC1(CNC(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)CC[NH+](Cc2ccccc2)CC1 ZINC000417916094 500197390 /nfs/dbraw/zinc/19/73/90/500197390.db2.gz CQICYQSPXPHBAD-WOJBJXKFSA-N 2 0 372.557 3.105 20 0 FGADRP CCC1(CNC(=O)N2C[C@@H](C[NH3+])C[C@@H]2C)CC[NH+](Cc2ccccc2)CC1 ZINC000417922419 500198334 /nfs/dbraw/zinc/19/83/34/500198334.db2.gz IZTTWYGZIYSQIJ-AZUAARDMSA-N 2 0 372.557 3.058 20 0 FGADRP CCC1(CNC(=O)N2CC[C@H]([NH3+])[C@@H](C)C2)CC[NH+](Cc2ccccc2)CC1 ZINC000417923801 500198763 /nfs/dbraw/zinc/19/87/63/500198763.db2.gz LOSDIPJVCIXDDT-ICSRJNTNSA-N 2 0 372.557 3.058 20 0 FGADRP C[C@@H]1C[C@H](CCNC(=O)NC[C@@H]2CCC[C@H]([NH3+])C2)C[N@@H+]1Cc1ccccc1 ZINC000417932031 500200058 /nfs/dbraw/zinc/20/00/58/500200058.db2.gz WKYCTSXIYRBYBB-PBASOCQRSA-N 2 0 372.557 3.104 20 0 FGADRP CCCN(C(=O)NCC[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1)[C@H]1CC[NH2+]C1 ZINC000417930878 500200097 /nfs/dbraw/zinc/20/00/97/500200097.db2.gz VCRNMLFIOXYKAS-TYPHKJRUSA-N 2 0 372.557 3.071 20 0 FGADRP C[NH+](C)CC1CCC(NC(=O)N[C@H](C[NH3+])c2ccc3ccccc3c2)CC1 ZINC000417942126 500201498 /nfs/dbraw/zinc/20/14/98/500201498.db2.gz SJKPJKHTAKPFJJ-VYHPPPRESA-N 2 0 368.525 3.259 20 0 FGADRP CCn1cncc1C[NH2+]CCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000417949650 500202950 /nfs/dbraw/zinc/20/29/50/500202950.db2.gz VJLGQGMCVRNVFQ-UHFFFAOYSA-N 2 0 356.514 3.064 20 0 FGADRP C[N@H+](Cc1ccc2ncccc2c1)C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000425935914 500214125 /nfs/dbraw/zinc/21/41/25/500214125.db2.gz GIWYWBMGMWMRLS-QHCPKHFHSA-N 2 0 361.489 3.304 20 0 FGADRP C[NH2+]CCC1CCN(C(=O)NC[C@@]2(C)CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000418037903 500218194 /nfs/dbraw/zinc/21/81/94/500218194.db2.gz DQIYIWCQGFPZAN-JOCHJYFZSA-N 2 0 372.557 3.072 20 0 FGADRP CCCN(C(=O)NC[C@]1(C)CCC[N@@H+]1Cc1ccccc1)C1CC[NH2+]CC1 ZINC000418045551 500220081 /nfs/dbraw/zinc/22/00/81/500220081.db2.gz ONSZVIIZVWPNRE-QFIPXVFZSA-N 2 0 372.557 3.215 20 0 FGADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](Cc1cccnc1)c1cccc(Cl)c1 ZINC000426012389 500225315 /nfs/dbraw/zinc/22/53/15/500225315.db2.gz DOXCBYRZLVAOEV-UTKZUKDTSA-N 2 0 372.944 3.244 20 0 FGADRP C[C@@H]([NH3+])C1CCN(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)CC1 ZINC000418150121 500237643 /nfs/dbraw/zinc/23/76/43/500237643.db2.gz CDXKXLLXAUJZOS-XLIONFOSSA-N 2 0 372.557 3.056 20 0 FGADRP C[NH+](C)C1CCC(NC(=O)NC(C)(C)C[N@H+](C)Cc2ccccc2)CC1 ZINC000422247186 500240984 /nfs/dbraw/zinc/24/09/84/500240984.db2.gz VVHTXNXWANDENH-UHFFFAOYSA-N 2 0 360.546 3.069 20 0 FGADRP Cc1ccccc1[C@@H]([C@@H](C)NC(=O)NC[C@H]1CC[C@H](C[NH3+])CC1)[NH+](C)C ZINC000418175063 500242975 /nfs/dbraw/zinc/24/29/75/500242975.db2.gz FUIAEEXEAFTWCF-SOAMZJECSA-N 2 0 360.546 3.051 20 0 FGADRP CC[NH2+]CC1CCN(C(=O)N[C@@H](C)[C@H](c2ccccc2C)[NH+](C)C)CC1 ZINC000418182727 500244280 /nfs/dbraw/zinc/24/42/80/500244280.db2.gz NHFNNAAYEJTZQD-FXAWDEMLSA-N 2 0 360.546 3.017 20 0 FGADRP CC[NH2+]CC1CC[NH+](CC(=O)N(C)Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000430554643 500253528 /nfs/dbraw/zinc/25/35/28/500253528.db2.gz GUHSKFNHSKQBNG-UHFFFAOYSA-N 2 0 372.340 3.273 20 0 FGADRP CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)N1CCCC[C@H]1[C@@H]1CCC[NH2+]C1 ZINC000418233568 500253719 /nfs/dbraw/zinc/25/37/19/500253719.db2.gz GUULIVDKKQWAFW-AABGKKOBSA-N 2 0 364.578 3.061 20 0 FGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@@H]([NH3+])c2ccc(C(C)C)cc2)[C@H](C)C1 ZINC000418325642 500262553 /nfs/dbraw/zinc/26/25/53/500262553.db2.gz JKKXGOQLYHJPQB-AHRSYUTCSA-N 2 0 360.546 3.182 20 0 FGADRP [NH3+]C[C@H](NC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1)C1CCCCC1 ZINC000418371415 500269576 /nfs/dbraw/zinc/26/95/76/500269576.db2.gz XNATXEGVCREEBC-ICSRJNTNSA-N 2 0 364.578 3.192 20 0 FGADRP [NH3+][C@@H]1CCCCCC[C@H]1C(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000430707620 500273155 /nfs/dbraw/zinc/27/31/55/500273155.db2.gz QDGUNIZYYQOELV-NHCUHLMSSA-N 2 0 373.541 3.075 20 0 FGADRP CCC([NH3+])(CC)CNC(=O)N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000418429712 500275118 /nfs/dbraw/zinc/27/51/18/500275118.db2.gz SMTWLQFEFLLAGL-KRWDZBQOSA-N 2 0 352.567 3.190 20 0 FGADRP C[NH+](C)CCN(Cc1ccsc1)C(=O)NCC[NH2+]C1CCCCCC1 ZINC000418449915 500277675 /nfs/dbraw/zinc/27/76/75/500277675.db2.gz SMBFCDMDTFTADT-UHFFFAOYSA-N 2 0 366.575 3.134 20 0 FGADRP C[C@@H]([NH3+])c1ccc(CNC(=O)N(CC[NH+](C)C)CC2CCCCC2)cc1 ZINC000418454102 500278485 /nfs/dbraw/zinc/27/84/85/500278485.db2.gz BQHHYLNIJHLFAT-QGZVFWFLSA-N 2 0 360.546 3.360 20 0 FGADRP C[C@H](C[C@H](C)[NH3+])[NH2+]CCSCCOc1cccc(Br)c1 ZINC000422716902 500289126 /nfs/dbraw/zinc/28/91/26/500289126.db2.gz UVHUDQOFQRGXSI-QWHCGFSZSA-N 2 0 361.349 3.277 20 0 FGADRP O=C(NCc1ccc2c(c1)C[NH2+]C2)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000418550289 500290571 /nfs/dbraw/zinc/29/05/71/500290571.db2.gz GSOAFNDVOKXLCQ-IBGZPJMESA-N 2 0 370.541 3.087 20 0 FGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]C2CCC(C[NH3+])CC2)CC1 ZINC000422741478 500293267 /nfs/dbraw/zinc/29/32/67/500293267.db2.gz OLDMEYZHCHKJBX-LRYGQEGESA-N 3 0 362.537 3.136 20 0 FGADRP CCC(CC)(CN[C@H](C1CC1)[C@@H]1C[NH2+]CCO1)[NH2+][C@@H](C)c1ccccc1 ZINC000422760679 500295103 /nfs/dbraw/zinc/29/51/03/500295103.db2.gz LCPVAANTVSUYFO-DZFGPLHGSA-N 2 0 359.558 3.253 20 0 FGADRP CCOC(=O)C1([C@H](C)[NH2+][C@@H]2CCC[C@H]2Cc2ccccc2)CC[NH2+]CC1 ZINC000422765888 500295277 /nfs/dbraw/zinc/29/52/77/500295277.db2.gz PPRFVFLAMMPYIA-YSIASYRMSA-N 2 0 358.526 3.309 20 0 FGADRP COc1ccc([C@H](N[C@@H]2CC[N@H+](Cc3ccccc3)C2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422768528 500295882 /nfs/dbraw/zinc/29/58/82/500295882.db2.gz TXEGWROBHRZMMK-PUHATCMVSA-N 2 0 365.521 3.352 20 0 FGADRP Fc1ccc(-n2ccc(CC[NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCCC[NH2+]3)n2)cc1 ZINC000422789325 500298421 /nfs/dbraw/zinc/29/84/21/500298421.db2.gz OBFQIYAXICTEKD-QHAWAJNXSA-N 2 0 356.489 3.454 20 0 FGADRP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@@H]2N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000422797814 500298811 /nfs/dbraw/zinc/29/88/11/500298811.db2.gz OOOYTYJOAOCRHY-RCZSKKKRSA-N 2 0 355.526 3.096 20 0 FGADRP COc1ccc(OC)c(C[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000422800541 500299507 /nfs/dbraw/zinc/29/95/07/500299507.db2.gz CDTSIJIFQLJBJP-NQIIRXRSSA-N 2 0 354.450 3.049 20 0 FGADRP COc1ccc(C[NH2+][C@@H](C)c2ccc(C[NH3+])nc2C)cc1OC(F)F ZINC000422812239 500301035 /nfs/dbraw/zinc/30/10/35/500301035.db2.gz QGNGTDDFFSIENA-NSHDSACASA-N 2 0 351.397 3.310 20 0 FGADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]CCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000422821969 500302436 /nfs/dbraw/zinc/30/24/36/500302436.db2.gz ZLQPBTPIKOSNDG-UNMCSNQZSA-N 3 0 359.558 3.165 20 0 FGADRP CN(C(=O)NC[C@H]1CC[C@H](C[NH3+])CC1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000418663378 500304040 /nfs/dbraw/zinc/30/40/40/500304040.db2.gz GQKFRHJRLPQKQX-ZJOUEHCJSA-N 2 0 372.557 3.058 20 0 FGADRP [NH3+]CCC[C@@H](NC(=O)N1CCC([NH+]2CCCCC2)CC1)c1ccccc1 ZINC000418665954 500304254 /nfs/dbraw/zinc/30/42/54/500304254.db2.gz FQQHCPBHSXWAOF-HXUWFJFHSA-N 2 0 358.530 3.127 20 0 FGADRP COc1ccc(C[NH+]2CCC3(CC[NH2+]C3)CC2)cc1OCc1cccnc1 ZINC000430901945 500304500 /nfs/dbraw/zinc/30/45/00/500304500.db2.gz WAZFKOSICYYSFX-UHFFFAOYSA-N 2 0 367.493 3.245 20 0 FGADRP Cc1ccc(CN(CC[NH+](C)C)C(=O)N[C@@H](CCC[NH3+])c2ccccc2)o1 ZINC000418668269 500304595 /nfs/dbraw/zinc/30/45/95/500304595.db2.gz IDCKSSVUPUMJRT-FQEVSTJZSA-N 2 0 372.513 3.141 20 0 FGADRP COc1ccccc1N1CC[C@H](C[NH2+][C@@H](Cc2ccccc2)[C@@H](C)[NH3+])C1 ZINC000422851986 500305839 /nfs/dbraw/zinc/30/58/39/500305839.db2.gz PXUACVKBFNFUKB-RLLQIKCJSA-N 2 0 353.510 3.070 20 0 FGADRP COc1ccccc1N1CC[C@H](C[NH2+][C@H](Cc2ccccc2)[C@H](C)[NH3+])C1 ZINC000422851984 500305983 /nfs/dbraw/zinc/30/59/83/500305983.db2.gz PXUACVKBFNFUKB-DFQSSKMNSA-N 2 0 353.510 3.070 20 0 FGADRP C[C@H](CCCC[NH3+])NC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000418675901 500306109 /nfs/dbraw/zinc/30/61/09/500306109.db2.gz ROFZKRSLZASBEJ-GIVPXCGWSA-N 2 0 372.557 3.200 20 0 FGADRP CCCCOc1ccc(C[NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)cc1OC ZINC000422868616 500307287 /nfs/dbraw/zinc/30/72/87/500307287.db2.gz VRWQGCWWHXVURK-GUDVDZBRSA-N 2 0 362.514 3.121 20 0 FGADRP COc1ccc(-c2nc(C[NH+]3CCC([C@H](C)[NH3+])CC3)cs2)c(OC)c1 ZINC000430928884 500308390 /nfs/dbraw/zinc/30/83/90/500308390.db2.gz VRCPVXWAUCIEBS-ZDUSSCGKSA-N 2 0 361.511 3.387 20 0 FGADRP C[NH2+]C[C@@H]1CC[N@H+](CCC(=O)Nc2ccccc2Oc2ccccc2)C1 ZINC000430935272 500309762 /nfs/dbraw/zinc/30/97/62/500309762.db2.gz SNKZSPUHYIOWKI-KRWDZBQOSA-N 2 0 353.466 3.349 20 0 FGADRP COc1cc(OC)c(CC[NH2+][C@@H](C)C[C@H]2CCCCC[NH2+]2)c(OC)c1 ZINC000422884272 500310057 /nfs/dbraw/zinc/31/00/57/500310057.db2.gz DQVCAVQOAQCVHT-JKSUJKDBSA-N 2 0 350.503 3.155 20 0 FGADRP C[C@H]([NH3+])C1CC[NH+](CC(=O)Nc2ccc(OCc3ccccc3)cc2)CC1 ZINC000430938407 500310667 /nfs/dbraw/zinc/31/06/67/500310667.db2.gz HYJSYKUKBMYAPA-KRWDZBQOSA-N 2 0 367.493 3.263 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2C[NH2+][C@@H](C2CC2)[C@@H]2CNCCO2)C1 ZINC000422887306 500310779 /nfs/dbraw/zinc/31/07/79/500310779.db2.gz AZAUFJDTTVGARK-WKZKVMAPSA-N 2 0 371.569 3.021 20 0 FGADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1 ZINC000422887477 500310872 /nfs/dbraw/zinc/31/08/72/500310872.db2.gz YUPMIFXEUNTIQN-XEZPLFJOSA-N 2 0 357.420 3.084 20 0 FGADRP C[C@@H]([NH3+])C1CC[NH+](CCC(=O)N[C@H](c2cccs2)c2ccccc2)CC1 ZINC000430945214 500311353 /nfs/dbraw/zinc/31/13/53/500311353.db2.gz WGYOWGYFTOKKCY-IERDGZPVSA-N 2 0 371.550 3.403 20 0 FGADRP Brc1cccc(N2CC[C@@H](C[NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)c1 ZINC000422893817 500312235 /nfs/dbraw/zinc/31/22/35/500312235.db2.gz AVOREUFEJONKOD-JTUUTPGSSA-N 2 0 364.331 3.148 20 0 FGADRP Brc1cccc(N2CC[C@H](C[NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)c1 ZINC000422893818 500312437 /nfs/dbraw/zinc/31/24/37/500312437.db2.gz AVOREUFEJONKOD-KTFSGNIMSA-N 2 0 364.331 3.148 20 0 FGADRP Cc1ccccc1CN1CCC([NH2+][C@H](C)c2ccc(C[NH3+])nc2C)CC1 ZINC000422897428 500313002 /nfs/dbraw/zinc/31/30/02/500313002.db2.gz JREZMMYBTGDTHI-QGZVFWFLSA-N 2 0 352.526 3.472 20 0 FGADRP C[C@H](C[C@@H]1COCCN1)[NH2+]CCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000422901032 500313889 /nfs/dbraw/zinc/31/38/89/500313889.db2.gz BBDFCNLXMIPSPI-NFBKMPQASA-N 2 0 373.585 3.078 20 0 FGADRP COc1ccc(Cl)cc1N1CC[C@H]([NH2+][C@H](Cc2ccccc2)[C@H](C)[NH3+])C1 ZINC000422901377 500313920 /nfs/dbraw/zinc/31/39/20/500313920.db2.gz BWVIADMYUZTGDJ-ZYSHUDEJSA-N 2 0 373.928 3.475 20 0 FGADRP COc1cccc(N2CC[C@H](C[NH2+][C@@H]3CCC[C@H]3[C@H]3CCCC[NH2+]3)C2)c1 ZINC000422906241 500314485 /nfs/dbraw/zinc/31/44/85/500314485.db2.gz UTTXETXBJVOVIL-XYEHWOGUSA-N 2 0 357.542 3.422 20 0 FGADRP Cc1cc(C)n(-c2ccc(C[NH2+][C@@H](C)C3C[NH2+]C3)c(C(F)(F)F)c2)n1 ZINC000422907792 500314687 /nfs/dbraw/zinc/31/46/87/500314687.db2.gz XOHGLZGQQBLBFF-ZDUSSCGKSA-N 2 0 352.404 3.205 20 0 FGADRP CCOC(=O)C1([C@H](C)[NH2+]C[C@@H](C)Oc2cccc(Cl)c2)CC[NH2+]CC1 ZINC000422917051 500316203 /nfs/dbraw/zinc/31/62/03/500316203.db2.gz FJCCQJPRLSNARW-CABCVRRESA-N 2 0 368.905 3.018 20 0 FGADRP CCOC(=O)C1([C@@H](C)[NH2+]C[C@@H](CC)Oc2ccccc2C)CC[NH2+]CC1 ZINC000422919352 500316450 /nfs/dbraw/zinc/31/64/50/500316450.db2.gz JQOIQWFFDXOIFC-QZTJIDSGSA-N 2 0 362.514 3.063 20 0 FGADRP CCOc1ccc([C@H](C)NC(=O)CCC[NH2+][C@H]2CCCCC[C@@H]2[NH3+])cc1 ZINC000422927803 500318575 /nfs/dbraw/zinc/31/85/75/500318575.db2.gz HEIMRXVEOPCEBF-VDGAXYAQSA-N 2 0 361.530 3.292 20 0 FGADRP CC[N@H+](CCC1CCN(C(=O)NCCC[C@H]2CCC[NH2+]2)CC1)CC1CC1 ZINC000418760898 500319582 /nfs/dbraw/zinc/31/95/82/500319582.db2.gz FKHNUFPYFMANTK-HXUWFJFHSA-N 2 0 364.578 3.062 20 0 FGADRP CCOC(=O)C1([C@@H](C)[NH2+]CCc2cccc3ccccc32)CC[NH2+]CC1 ZINC000422936923 500320065 /nfs/dbraw/zinc/32/00/65/500320065.db2.gz NGJKDWNDXYLQHB-QGZVFWFLSA-N 2 0 354.494 3.293 20 0 FGADRP C[C@H](CCCC[NH3+])[NH2+]C[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000422940064 500320776 /nfs/dbraw/zinc/32/07/76/500320776.db2.gz IMMSGFSIAVXYFE-CABCVRRESA-N 2 0 354.336 3.383 20 0 FGADRP C[C@H]1C[NH+](CCC2CC[NH+](CCc3ccc4c(c3)CCO4)CC2)C[C@H](C)O1 ZINC000426804081 500322447 /nfs/dbraw/zinc/32/24/47/500322447.db2.gz RSPILWNOWDUKQY-OALUTQOASA-N 2 0 372.553 3.375 20 0 FGADRP c1ccc2c(c1)O[C@@]1(CC[NH2+]C1)C[C@H]2[NH2+]CCc1nc2c(s1)CCCC2 ZINC000422955341 500323459 /nfs/dbraw/zinc/32/34/59/500323459.db2.gz LWMZUSSEFDODBT-UTKZUKDTSA-N 2 0 369.534 3.410 20 0 FGADRP C[C@@H]1CC[N@H+](CCOc2ccc(NC(=O)[C@@H](C[NH3+])c3ccccc3)cc2)C1 ZINC000431017248 500323877 /nfs/dbraw/zinc/32/38/77/500323877.db2.gz OQHZYMLLJWHGEE-UTKZUKDTSA-N 2 0 367.493 3.088 20 0 FGADRP COc1ccc(C(=O)Nc2cccc(OCC[NH2+][C@@H](C)C[C@H](C)[NH3+])c2)cc1 ZINC000422958253 500324193 /nfs/dbraw/zinc/32/41/93/500324193.db2.gz OUYXWEJDPGLOAS-HOTGVXAUSA-N 2 0 371.481 3.042 20 0 FGADRP C[C@@H](c1cc2ccccc2o1)N(C)C(=O)C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000431020711 500324651 /nfs/dbraw/zinc/32/46/51/500324651.db2.gz CXTKTTMHVBOIEO-INIZCTEOSA-N 2 0 355.482 3.028 20 0 FGADRP O=C(C[NH+]1CCC2(CC[NH2+]C2)CC1)N[C@@H](c1ccccc1)C1CCCCC1 ZINC000431023320 500324901 /nfs/dbraw/zinc/32/49/01/500324901.db2.gz QRYNSQDBKORWPI-QFIPXVFZSA-N 2 0 369.553 3.500 20 0 FGADRP O=C1C[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)CN1c1ccc(Cl)c(F)c1 ZINC000423024780 500332313 /nfs/dbraw/zinc/33/23/13/500332313.db2.gz MOTRWJOJCPEBJH-WPPQDWHVSA-N 2 0 365.880 3.095 20 0 FGADRP COC[C@H](CCC[NH3+])[NH2+]Cc1ccc(Br)cc1C(F)(F)F ZINC000423031565 500333022 /nfs/dbraw/zinc/33/30/22/500333022.db2.gz XCZKWLVUROJHGE-LBPRGKRZSA-N 2 0 369.225 3.311 20 0 FGADRP Fc1ccc(-c2noc(CCC[NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)n2)cc1 ZINC000423031188 500333244 /nfs/dbraw/zinc/33/32/44/500333244.db2.gz KSQMDFRGWYCCBK-KSZLIROESA-N 2 0 358.461 3.319 20 0 FGADRP c1ccc(COCCC2(C[NH2+][C@@H]3CCOC[C@H]3[C@H]3CCC[NH2+]3)CC2)cc1 ZINC000423052487 500335678 /nfs/dbraw/zinc/33/56/78/500335678.db2.gz QBLRJHCBECDAJK-PWRODBHTSA-N 2 0 358.526 3.120 20 0 FGADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+][C@H]1CCCN(c2ccc(Cl)cc2Cl)C1 ZINC000423066643 500338089 /nfs/dbraw/zinc/33/80/89/500338089.db2.gz FBQABFZPNYPUDQ-QEWYBTABSA-N 2 0 372.340 3.304 20 0 FGADRP COC[C@@H](CCC[NH3+])[NH2+][C@H]1CCCN(c2ccc(Cl)cc2Cl)C1 ZINC000423067252 500338210 /nfs/dbraw/zinc/33/82/10/500338210.db2.gz GQTVWJRNCDOPTG-LSDHHAIUSA-N 2 0 360.329 3.306 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccc(C)cc1Cl ZINC000426955965 500338986 /nfs/dbraw/zinc/33/89/86/500338986.db2.gz SVVPJXLEIANQHW-MRXNPFEDSA-N 2 0 351.922 3.137 20 0 FGADRP Cc1cc(C[NH2+][C@H]2CC[NH2+]CC[C@@H]2C)ccc1I ZINC000423101210 500342591 /nfs/dbraw/zinc/34/25/91/500342591.db2.gz VOPVBRAELJHASJ-NHYWBVRUSA-N 2 0 358.267 3.077 20 0 FGADRP C[C@H]([NH2+]C[C@@H](c1ccc(Cl)cc1)N(C)CCC(F)(F)F)C1C[NH2+]C1 ZINC000423106157 500343289 /nfs/dbraw/zinc/34/32/89/500343289.db2.gz OKYMCYHNKXFATO-LRDDRELGSA-N 2 0 363.855 3.463 20 0 FGADRP CCOC(=O)C1([C@@H](C)[NH2+][C@H](C)c2ccc(SC)cc2)CC[NH2+]CC1 ZINC000423107463 500343293 /nfs/dbraw/zinc/34/32/93/500343293.db2.gz RYZULNYICPOGRR-HUUCEWRRSA-N 2 0 350.528 3.381 20 0 FGADRP CCC[N@H+](C)[C@H](CN[C@@H]1CCOC[C@@H]1[C@@H](C)[NH3+])c1ccc(Cl)cc1 ZINC000423104674 500343329 /nfs/dbraw/zinc/34/33/29/500343329.db2.gz MKHNCYONXXCRCG-UTRMSSBJSA-N 2 0 353.938 3.065 20 0 FGADRP COCCC[C@H](C[NH2+][C@@H]1CCOC[C@@H]1[C@H](C)[NH3+])c1ccc(Cl)cc1 ZINC000423111095 500343612 /nfs/dbraw/zinc/34/36/12/500343612.db2.gz VSWJIQPJBCGFLT-RGIVZKHGSA-N 2 0 354.922 3.192 20 0 FGADRP Clc1ccc(N2CCOCC2)c(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000423110890 500343970 /nfs/dbraw/zinc/34/39/70/500343970.db2.gz WDJWRFYSULMBNL-GBESFXJTSA-N 2 0 363.933 3.187 20 0 FGADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CCc1c[nH]c2cccc(Br)c12 ZINC000423119483 500344668 /nfs/dbraw/zinc/34/46/68/500344668.db2.gz CNWZLEPBYXPGJJ-IUODEOHRSA-N 2 0 350.304 3.451 20 0 FGADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]CC1(c2ccccc2Br)CCC1 ZINC000423134436 500347277 /nfs/dbraw/zinc/34/72/77/500347277.db2.gz RWMUMSADFGOJFV-GRDNDAEWSA-N 2 0 367.331 3.213 20 0 FGADRP CO[C@H](C[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)Cc1ccccc1 ZINC000423166017 500350375 /nfs/dbraw/zinc/35/03/75/500350375.db2.gz YXYXCXIQOCYKMB-DWLFOUALSA-N 2 0 352.478 3.090 20 0 FGADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CCC[C@H]2Cc2cc(F)ccc2F)CC1 ZINC000419304280 500351080 /nfs/dbraw/zinc/35/10/80/500351080.db2.gz ULIALPFEARVECH-FQEVSTJZSA-N 2 0 365.512 3.388 20 0 FGADRP Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)[NH2+]CCCN1CC[NH2+]CC1 ZINC000423175943 500352146 /nfs/dbraw/zinc/35/21/46/500352146.db2.gz FUDNEMUFZSROKC-MRXNPFEDSA-N 2 0 358.555 3.373 20 0 FGADRP C[C@H](NCCC[NH2+]Cc1cccnc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423192424 500353640 /nfs/dbraw/zinc/35/36/40/500353640.db2.gz VGWQZPNBDNULGP-SIKLNZKXSA-N 2 0 352.526 3.062 20 0 FGADRP COc1ccc([C@H](CCn2cncn2)[NH2+]CC2([NH3+])CCCCCC2)cc1 ZINC000423199100 500354270 /nfs/dbraw/zinc/35/42/70/500354270.db2.gz JAJBJOLXECNUEA-IBGZPJMESA-N 2 0 357.502 3.059 20 0 FGADRP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+]2C[C@H](C)[C@H](C)[C@H]2C)CC1 ZINC000419331545 500354630 /nfs/dbraw/zinc/35/46/30/500354630.db2.gz CYGCMRDOOKLUQF-GBESFXJTSA-N 2 0 357.542 3.052 20 0 FGADRP C[C@@H]1C[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C[N@@H+]1Cc1ccccc1 ZINC000427152501 500359731 /nfs/dbraw/zinc/35/97/31/500359731.db2.gz KEMIVMLDPKVOPG-QUCCMNQESA-N 2 0 357.542 3.278 20 0 FGADRP CCc1ccc([C@H](CNC(=O)NC2CC[NH+](C)CC2)[NH+](CC)CC)cc1 ZINC000431301759 500360789 /nfs/dbraw/zinc/36/07/89/500360789.db2.gz WQAFPTABFOEGGN-FQEVSTJZSA-N 2 0 360.546 3.025 20 0 FGADRP C[C@H]([NH2+][C@@H]1CCCC[C@@H]1C[NH3+])c1ccccc1I ZINC000423273893 500361239 /nfs/dbraw/zinc/36/12/39/500361239.db2.gz LBMGCJFZPRQJNO-YWPYICTPSA-N 2 0 358.267 3.459 20 0 FGADRP C[C@@H]([NH3+])c1ccc(C[NH2+][C@H](C)c2cccc(N3CCCS3(=O)=O)c2)cc1 ZINC000423293929 500362446 /nfs/dbraw/zinc/36/24/46/500362446.db2.gz SNQPOLPLRIKIRG-HZPDHXFCSA-N 2 0 373.522 3.097 20 0 FGADRP CC(C)(C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]([NH3+])c1ccccc1 ZINC000423301041 500362721 /nfs/dbraw/zinc/36/27/21/500362721.db2.gz FEKPSDJUTNSKOS-WOJBJXKFSA-N 2 0 351.494 3.103 20 0 FGADRP C[C@@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[NH2+]C[C@H]([NH3+])C1CC1 ZINC000423323886 500363727 /nfs/dbraw/zinc/36/37/27/500363727.db2.gz PCDSFUYLBCICGV-ZANVPECISA-N 2 0 363.811 3.403 20 0 FGADRP COc1ccc(C[C@@H]([NH2+]CC2=CC[NH2+]CC2)c2ccc(OC)cc2)cc1 ZINC000423346989 500366389 /nfs/dbraw/zinc/36/63/89/500366389.db2.gz PWBKMJYBLLYRNB-JOCHJYFZSA-N 2 0 352.478 3.497 20 0 FGADRP C[C@H]([NH3+])c1ccc(C(=O)NCC2CC[NH+](Cc3cccs3)CC2)cc1 ZINC000423355590 500366635 /nfs/dbraw/zinc/36/66/35/500366635.db2.gz IIRDCBFCRVWNKM-HNNXBMFYSA-N 2 0 357.523 3.410 20 0 FGADRP [NH3+][C@H](CC1CCCCC1)C(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000423404851 500371163 /nfs/dbraw/zinc/37/11/63/500371163.db2.gz XUGZYKVRIRWTAK-LJQANCHMSA-N 2 0 361.555 3.472 20 0 FGADRP C[C@@H]([NH3+])c1ccc(C(=O)Nc2ccc3ccn(CC[NH+](C)C)c3c2)cc1 ZINC000423416261 500372807 /nfs/dbraw/zinc/37/28/07/500372807.db2.gz CFHZMMBUKVNZEC-OAHLLOKOSA-N 2 0 350.466 3.475 20 0 FGADRP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH2+][C@@H]4C[C@H]4C4CC[NH2+]CC4)[C@H]3C2)cc1 ZINC000423421787 500373623 /nfs/dbraw/zinc/37/36/23/500373623.db2.gz BAUAEZGUJKIVAE-XZCBWCRCSA-N 3 0 353.554 3.265 20 0 FGADRP C[C@@H](CCCC[NH3+])[NH2+][C@@H](C)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000423426234 500373782 /nfs/dbraw/zinc/37/37/82/500373782.db2.gz HMCRBBKJVGZXPZ-IRXDYDNUSA-N 2 0 367.559 3.029 20 0 FGADRP c1ccc(C[N@@H+]2CC[C@H]([NH2+][C@@H]3C[C@H]3C3CC[NH2+]CC3)[C@H]3CCC[C@H]32)cc1 ZINC000423444818 500375369 /nfs/dbraw/zinc/37/53/69/500375369.db2.gz XHGBFZJMZRHDMF-BMXMUORJSA-N 2 0 353.554 3.407 20 0 FGADRP C[C@@H]([NH2+][C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)c1cc(Cl)ccc1Cl ZINC000423445059 500375589 /nfs/dbraw/zinc/37/55/89/500375589.db2.gz BMCADORQHYDKJB-ONUMYQOESA-N 2 0 370.324 3.291 20 0 FGADRP C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)C[C@@H]2CCC[NH2+]CC2)C1 ZINC000427274248 500376217 /nfs/dbraw/zinc/37/62/17/500376217.db2.gz LJFGVDVAHCXIAH-RTBURBONSA-N 2 0 357.542 3.315 20 0 FGADRP Cc1ccc(S(=O)(=O)C[C@@H](C)[NH2+][C@@H](CCC[NH3+])c2ccccc2)cc1 ZINC000423511032 500380528 /nfs/dbraw/zinc/38/05/28/500380528.db2.gz NBCDQFPRWBJDEG-XLIONFOSSA-N 2 0 360.523 3.227 20 0 FGADRP Cc1ccc(S(=O)(=O)C[C@H](C)[NH2+][C@H](CCC[NH3+])c2ccccc2)cc1 ZINC000423511021 500380577 /nfs/dbraw/zinc/38/05/77/500380577.db2.gz NBCDQFPRWBJDEG-FXAWDEMLSA-N 2 0 360.523 3.227 20 0 FGADRP CC(C)[C@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)c1ccc(F)c(F)c1 ZINC000423525889 500382465 /nfs/dbraw/zinc/38/24/65/500382465.db2.gz YSXPPDQSGNAHPY-UHYCVJNDSA-N 2 0 351.485 3.468 20 0 FGADRP C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000423537011 500383813 /nfs/dbraw/zinc/38/38/13/500383813.db2.gz BPEXTKILMQVSOO-VYCZESIESA-N 2 0 363.933 3.055 20 0 FGADRP C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]CCC1=CC[NH2+]CC1 ZINC000423573120 500385629 /nfs/dbraw/zinc/38/56/29/500385629.db2.gz YVOJXCNNRWEFQR-CYBMUJFWSA-N 2 0 366.303 3.066 20 0 FGADRP COc1ccc(C[N@@H+]2CCCN(C(=O)c3ccc([C@@H](C)[NH3+])cc3)CC2)cc1 ZINC000423731420 500397593 /nfs/dbraw/zinc/39/75/93/500397593.db2.gz NZTVRFDUTQNOKQ-QGZVFWFLSA-N 2 0 367.493 3.063 20 0 FGADRP C[C@@H](C[NH3+])C(=O)N(CC[NH+]1CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC000423750111 500399025 /nfs/dbraw/zinc/39/90/25/500399025.db2.gz SMBJAEGLUWCBMO-ZDUSSCGKSA-N 2 0 358.313 3.013 20 0 FGADRP CC(C)[N@@H+]1CCCN(C(=O)N[C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000431675271 500406434 /nfs/dbraw/zinc/40/64/34/500406434.db2.gz XIYJVPGGFVKKBZ-CTNGQTDRSA-N 2 0 372.557 3.165 20 0 FGADRP CC[C@H]1CN(C(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[N@@H+]1Cc1ccccc1 ZINC000423828929 500407862 /nfs/dbraw/zinc/40/78/62/500407862.db2.gz SHJLJPLLBLXSBQ-VTHDOGFWSA-N 2 0 355.526 3.030 20 0 FGADRP CC(C)[NH+]1CCN(c2cccc(NC(=O)C[C@H]3CCCC[C@H]3[NH3+])c2)CC1 ZINC000423837065 500409685 /nfs/dbraw/zinc/40/96/85/500409685.db2.gz GNCGINCKJXAMQD-YLJYHZDGSA-N 2 0 358.530 3.063 20 0 FGADRP CC(C)[NH+]1CCN(c2cccc(NC(=O)[C@@H]3CCCC[C@]3(C)[NH3+])c2)CC1 ZINC000423854876 500412455 /nfs/dbraw/zinc/41/24/55/500412455.db2.gz WDTDDUOEBPDCRD-FPOVZHCZSA-N 2 0 358.530 3.063 20 0 FGADRP C[C@@H](NC(=O)c1ccc([C@H](C)[NH3+])cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423868335 500414329 /nfs/dbraw/zinc/41/43/29/500414329.db2.gz NDELAXKEACJMLV-CSODHUTKSA-N 2 0 351.494 3.347 20 0 FGADRP C[NH+](C)[C@H](CNC(=O)C[C@@H](c1ccccc1)[NH+](C)C)c1ccc(F)cc1 ZINC000431727786 500415526 /nfs/dbraw/zinc/41/55/26/500415526.db2.gz VRMGOHHMPTXRJL-VQTJNVASSA-N 2 0 357.473 3.238 20 0 FGADRP C[C@@H]1C[C@@H](CCNC(=O)C[C@@H]2CCC[NH2+]CC2)C[N@@H+]1Cc1ccccc1 ZINC000423899460 500417490 /nfs/dbraw/zinc/41/74/90/500417490.db2.gz JETMBHPCQBOLFD-SFHLNBCPSA-N 2 0 357.542 3.183 20 0 FGADRP C[C@@H]1C[C@H](CCNC(=O)C[C@@H]2CCCC[C@H]2[NH3+])C[N@@H+]1Cc1ccccc1 ZINC000423912566 500418500 /nfs/dbraw/zinc/41/85/00/500418500.db2.gz WERLGGJKKDGBDJ-BVOGOJNSSA-N 2 0 357.542 3.311 20 0 FGADRP Cc1cc2c(cc1C)[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1)CCS2 ZINC000427697106 500421967 /nfs/dbraw/zinc/42/19/67/500421967.db2.gz MFFGWABRSQLTBN-AEFFLSMTSA-N 2 0 361.555 3.017 20 0 FGADRP O=C(c1c(Cl)cccc1Cl)N1CC[NH+](CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000420298379 500436906 /nfs/dbraw/zinc/43/69/06/500436906.db2.gz FCMUHCSIXANHBR-AWEZNQCLSA-N 2 0 370.324 3.141 20 0 FGADRP COc1ccc([C@H](C[NH3+])CN2CC[NH2+]C[C@@H]2c2cccc(Cl)c2)cc1 ZINC000420316263 500440033 /nfs/dbraw/zinc/44/00/33/500440033.db2.gz NARNIVCLGGGFLH-YLJYHZDGSA-N 2 0 359.901 3.037 20 0 FGADRP COc1ccc(-c2noc([C@H](C)[N@@H+]3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)n2)cc1 ZINC000420326410 500441861 /nfs/dbraw/zinc/44/18/61/500441861.db2.gz JXCNZIWXSBAQIV-BHYGNILZSA-N 2 0 356.470 3.128 20 0 FGADRP Brc1ccc([C@@H]2C[N@H+](CC[C@@H]3CCC[NH2+]C3)CCO2)cc1 ZINC000420328488 500442888 /nfs/dbraw/zinc/44/28/88/500442888.db2.gz ZOMPNQJZNVYGQG-YOEHRIQHSA-N 2 0 353.304 3.212 20 0 FGADRP Brc1cccc(OCC[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000420338347 500444241 /nfs/dbraw/zinc/44/42/41/500444241.db2.gz XUYGNTUYAMQKHA-CABCVRRESA-N 2 0 353.304 3.149 20 0 FGADRP C[C@@H](c1cccc(Br)c1)[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000420342994 500444774 /nfs/dbraw/zinc/44/47/74/500444774.db2.gz WKXVRDDGAAAJPE-VUCTXSBTSA-N 2 0 353.304 3.338 20 0 FGADRP O=C(C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1)N[C@H](c1ccccc1)C1CCCC1 ZINC000420341846 500445034 /nfs/dbraw/zinc/44/50/34/500445034.db2.gz WHPXBBZUWNWGMV-FYYLOGMGSA-N 2 0 369.553 3.498 20 0 FGADRP CC(C)(C)N(Cc1ccccc1)C(=O)C[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420346474 500445210 /nfs/dbraw/zinc/44/52/10/500445210.db2.gz YJFQMIPRMANHSQ-UXHICEINSA-N 2 0 357.542 3.135 20 0 FGADRP O=C(C[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)Nc1ccc(Cl)c(Cl)c1 ZINC000420345010 500445776 /nfs/dbraw/zinc/44/57/76/500445776.db2.gz VOBDQJCNHDXNJM-CHWSQXEVSA-N 2 0 356.297 3.253 20 0 FGADRP O=C(CC[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1)Nc1c(Cl)cccc1Cl ZINC000420355242 500447279 /nfs/dbraw/zinc/44/72/79/500447279.db2.gz CEESXCXMLJLBCS-QGZVFWFLSA-N 2 0 356.297 3.398 20 0 FGADRP [NH3+][C@H]1CCCO[C@@H]1C1CC[NH+](CCCOc2cccc(Cl)c2)CC1 ZINC000420375214 500450409 /nfs/dbraw/zinc/45/04/09/500450409.db2.gz INAAKFHIMZZYFC-RBUKOAKNSA-N 2 0 352.906 3.327 20 0 FGADRP [NH3+][C@H]1CCCO[C@H]1C1CC[NH+](CCCOc2cccc(Cl)c2)CC1 ZINC000420375213 500450535 /nfs/dbraw/zinc/45/05/35/500450535.db2.gz INAAKFHIMZZYFC-OALUTQOASA-N 2 0 352.906 3.327 20 0 FGADRP [NH3+][C@H]1CCO[C@@H](C2CC[NH+](CCCOc3cccc(Cl)c3)CC2)C1 ZINC000420381992 500452120 /nfs/dbraw/zinc/45/21/20/500452120.db2.gz DBDPBYLGRYZZPP-PKOBYXMFSA-N 2 0 352.906 3.327 20 0 FGADRP [NH3+][C@H]1CCO[C@@H](C2CC[NH+](Cc3ncc(-c4cccc(F)c4)o3)CC2)C1 ZINC000420395346 500454932 /nfs/dbraw/zinc/45/49/32/500454932.db2.gz UBFIDLDVZZJAPT-ZWKOTPCHSA-N 2 0 359.445 3.199 20 0 FGADRP [NH3+][C@@H]1CCO[C@H](C2CC[NH+](Cc3ncc(-c4cccc(F)c4)o3)CC2)C1 ZINC000420395340 500454944 /nfs/dbraw/zinc/45/49/44/500454944.db2.gz UBFIDLDVZZJAPT-MSOLQXFVSA-N 2 0 359.445 3.199 20 0 FGADRP CC(C)[C@H](C[NH2+][C@H](Cc1ccncc1)c1cccs1)N1CC[NH+](C)CC1 ZINC000424259524 500476543 /nfs/dbraw/zinc/47/65/43/500476543.db2.gz CSWXFHATOBTUKE-UXHICEINSA-N 2 0 372.582 3.289 20 0 FGADRP C[C@H]1CC2(C[N@@H+]1[C@@H]1CCN(c3ccc(Cl)c(F)c3)C1=O)CC[NH2+]CC2 ZINC000424287031 500481647 /nfs/dbraw/zinc/48/16/47/500481647.db2.gz IFDGZFLLFPDBCT-SUMWQHHRSA-N 2 0 365.880 3.048 20 0 FGADRP C[C@@H](NC(=O)C[N@@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2)c1cccc2ccccc21 ZINC000424288090 500481689 /nfs/dbraw/zinc/48/16/89/500481689.db2.gz KCTRYLXNUUNCGL-ZWKOTPCHSA-N 2 0 365.521 3.481 20 0 FGADRP Cc1ccc([C@H](NC(=O)C[N@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)C2CC2)cc1 ZINC000424287646 500481900 /nfs/dbraw/zinc/48/19/00/500481900.db2.gz JIOMECSGSAPMEE-UTKZUKDTSA-N 2 0 355.526 3.026 20 0 FGADRP CC[C@@H]1c2ccsc2CCN1C(=O)C[N@@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424297562 500483041 /nfs/dbraw/zinc/48/30/41/500483041.db2.gz SXUMLTSEGJHPIE-DOTOQJQBSA-N 2 0 361.555 3.048 20 0 FGADRP CC[C@H]1c2ccsc2CCN1C(=O)C[N@@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424297565 500483218 /nfs/dbraw/zinc/48/32/18/500483218.db2.gz SXUMLTSEGJHPIE-RDJZCZTQSA-N 2 0 361.555 3.048 20 0 FGADRP C[C@H]1CC2(C[N@@H+]1CCC(=O)N[C@@H]1CCCc3ccccc31)CC[NH2+]CC2 ZINC000424301160 500483591 /nfs/dbraw/zinc/48/35/91/500483591.db2.gz XHHLCPNPYQRNCE-FXAWDEMLSA-N 2 0 355.526 3.034 20 0 FGADRP O=C1CCCN1CCC[NH2+][C@@H]1CCCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000428235386 500484488 /nfs/dbraw/zinc/48/44/88/500484488.db2.gz CNIUTZCTRAUMIF-BHIFYINESA-N 2 0 369.553 3.279 20 0 FGADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N(C)C[C@H]2CCC[NH+]2C)cc1 ZINC000420776443 500497927 /nfs/dbraw/zinc/49/79/27/500497927.db2.gz FTBMQRJJZKXFQJ-GHTZIAJQSA-N 2 0 372.557 3.297 20 0 FGADRP C[NH2+]Cc1cccc(NC(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)c1 ZINC000424416314 500500079 /nfs/dbraw/zinc/50/00/79/500500079.db2.gz LHPCFXWZRGCIRA-PZJWPPBQSA-N 2 0 364.493 3.144 20 0 FGADRP CC[NH+]1CCN(c2ccccc2C[N@@H+]2CCC[C@@H](OCC3CC3)C2)CC1 ZINC000428383258 500502876 /nfs/dbraw/zinc/50/28/76/500502876.db2.gz UWNQAZUHBNTGSN-OAQYLSRUSA-N 2 0 357.542 3.220 20 0 FGADRP Cc1cc(C[NH3+])cc(NC(=O)N[C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000424428777 500502918 /nfs/dbraw/zinc/50/29/18/500502918.db2.gz UVTYCFPNHQZICB-FXAWDEMLSA-N 2 0 366.509 3.486 20 0 FGADRP C[C@H]1C[C@H](NC(=O)NC2CCC([NH+](C)C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000420797166 500503196 /nfs/dbraw/zinc/50/31/96/500503196.db2.gz GQVDZBGHSZIZES-RCKXYERXSA-N 2 0 372.557 3.212 20 0 FGADRP Cc1cc(C[NH3+])cc(NC(=O)NCc2cccc(C[NH+]3CCCC3)c2)c1 ZINC000424448977 500507050 /nfs/dbraw/zinc/50/70/50/500507050.db2.gz ZHHQLHGCWPJDHR-UHFFFAOYSA-N 2 0 352.482 3.371 20 0 FGADRP C[C@H]1CN(C(=O)NC2CCC([NH+](C)C)CC2)CC[N@H+](Cc2ccccc2)C1 ZINC000420888837 500522962 /nfs/dbraw/zinc/52/29/62/500522962.db2.gz HMPDPBQEMWVRQB-KMFTYDHNSA-N 2 0 372.557 3.023 20 0 FGADRP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)NCC[NH+]1CCC2(CCCCC2)CC1 ZINC000442625766 500605432 /nfs/dbraw/zinc/60/54/32/500605432.db2.gz OXOCPLRBKYUSDW-MOPGFXCFSA-N 2 0 364.578 3.014 20 0 FGADRP OCC1(C[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CC2(CCC2)C1 ZINC000433057153 500615597 /nfs/dbraw/zinc/61/55/97/500615597.db2.gz GEBXHJNSBSQFAS-PCCBWWKXSA-N 2 0 354.538 3.429 20 0 FGADRP COCC[N@H+](C)CCOc1cccc(C[NH2+][C@@H]2CCCc3occc32)c1 ZINC000447532029 500618496 /nfs/dbraw/zinc/61/84/96/500618496.db2.gz UIFTXHHYZHQSED-HXUWFJFHSA-N 2 0 358.482 3.404 20 0 FGADRP O=C(C[NH2+][C@@H]1CC2CCC1CC2)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000433081543 500622377 /nfs/dbraw/zinc/62/23/77/500622377.db2.gz HHIYTXXVRRPFHL-OUNSHVDWSA-N 2 0 373.566 3.342 20 0 FGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC2(CO)CC(c3ccccc3)C2)[C@@H](C)C1 ZINC000433085252 500622766 /nfs/dbraw/zinc/62/27/66/500622766.db2.gz UDXSEEUTEPPFMZ-IDJJCAIYSA-N 2 0 374.569 3.269 20 0 FGADRP C[C@@H](CNC(=O)CCC[NH+]1CCC([NH3+])CC1)c1c(Cl)cccc1Cl ZINC000433114385 500629081 /nfs/dbraw/zinc/62/90/81/500629081.db2.gz GAPQLOOLHASRHU-ZDUSSCGKSA-N 2 0 372.340 3.416 20 0 FGADRP Cc1csc(-c2ccc(NC(=O)CCC[NH+]3CCC([NH3+])CC3)cc2)n1 ZINC000433136217 500633023 /nfs/dbraw/zinc/63/30/23/500633023.db2.gz LKOOPLMYFVYHCI-UHFFFAOYSA-N 2 0 358.511 3.260 20 0 FGADRP CC(C)(C)c1cc(NC(=O)CCC[NH+]2CCC([NH3+])CC2)n(C(C)(C)C)n1 ZINC000433135929 500633147 /nfs/dbraw/zinc/63/31/47/500633147.db2.gz VUZIPVSIBFOCJO-UHFFFAOYSA-N 2 0 363.550 3.077 20 0 FGADRP C[C@H](NC(=O)CCC[NH+]1CCC([NH3+])CC1)c1ccc(C(F)(F)F)cc1 ZINC000433145599 500634558 /nfs/dbraw/zinc/63/45/58/500634558.db2.gz HWWPHMVAZKAVMC-ZDUSSCGKSA-N 2 0 357.420 3.086 20 0 FGADRP CCC[C@H](NC(=O)CCC[NH+]1CCC([NH3+])CC1)c1ccc(F)cc1F ZINC000433150288 500635122 /nfs/dbraw/zinc/63/51/22/500635122.db2.gz LJYOVRALLQZEIY-SFHVURJKSA-N 2 0 353.457 3.126 20 0 FGADRP [NH3+]C1CC[NH+](CCCC(=O)NCc2ccccc2Oc2ccccc2)CC1 ZINC000433146673 500635350 /nfs/dbraw/zinc/63/53/50/500635350.db2.gz ASFVRUUGZINKAN-UHFFFAOYSA-N 2 0 367.493 3.298 20 0 FGADRP [NH3+]C1CC[NH+](CCCC(=O)Nc2nc(-c3cccc(F)c3)cs2)CC1 ZINC000433163338 500637449 /nfs/dbraw/zinc/63/74/49/500637449.db2.gz AZBIVPXZAGPCGQ-UHFFFAOYSA-N 2 0 362.474 3.091 20 0 FGADRP [NH3+]CC[C@H]1CCC[N@H+](Cc2cn(-c3cccc(Cl)c3Cl)nn2)C1 ZINC000442899683 500644178 /nfs/dbraw/zinc/64/41/78/500644178.db2.gz KPMZVCRCVVSKBK-GFCCVEGCSA-N 2 0 354.285 3.135 20 0 FGADRP C[NH+](C)CCCOc1ccc(C[NH2+]Cc2ccc(-c3cc[nH]n3)o2)cc1 ZINC000433329479 500673524 /nfs/dbraw/zinc/67/35/24/500673524.db2.gz YIFYVYSOGYKCPX-UHFFFAOYSA-N 2 0 354.454 3.290 20 0 FGADRP C[C@H](c1cc2ccccc2o1)N(C)C(=O)CN1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000573564315 506212505 /nfs/dbraw/zinc/21/25/05/506212505.db2.gz DIMVJCONAZRGBP-LAVFITLUSA-N 2 0 355.482 3.011 20 0 FGADRP CC[NH+]1CCN(c2ccc(C[NH2+]CCCCOc3ccccc3)cn2)CC1 ZINC000438076379 500734869 /nfs/dbraw/zinc/73/48/69/500734869.db2.gz CLZWRAOGJUCNAR-UHFFFAOYSA-N 2 0 368.525 3.172 20 0 FGADRP C[C@H]1CC[N@H+](CCOc2ccc(NC(=O)C[C@H]([NH3+])c3ccccc3)cc2)C1 ZINC000448235575 500737151 /nfs/dbraw/zinc/73/71/51/500737151.db2.gz YUQMQFADIXRUHY-UWJYYQICSA-N 2 0 367.493 3.436 20 0 FGADRP C[C@H](NC(=O)NC[C@H]1[N@H+](C)CCCC1(C)C)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000448252164 500739189 /nfs/dbraw/zinc/73/91/89/500739189.db2.gz LZHVGDACBGMKDT-JENIJYKNSA-N 2 0 364.578 3.059 20 0 FGADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H](O)Cc2ccccc2C(F)(F)F)[C@@H](C)C1 ZINC000443574985 500740395 /nfs/dbraw/zinc/74/03/95/500740395.db2.gz GCHGMHCHOGGWFQ-LESCRADOSA-N 2 0 358.448 3.271 20 0 FGADRP O=C1[C@H]([NH+]2CCC(CCC[NH+]3CCCC3)CC2)CCN1c1ccccc1 ZINC000443593869 500742830 /nfs/dbraw/zinc/74/28/30/500742830.db2.gz QFJPDQWKVRQGHS-OAQYLSRUSA-N 2 0 355.526 3.380 20 0 FGADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)NC[C@H]2CCC[NH+]2C2CCCCC2)C1 ZINC000438159868 500747795 /nfs/dbraw/zinc/74/77/95/500747795.db2.gz UMDBZKIEPNYZOT-AZUAARDMSA-N 2 0 364.578 3.157 20 0 FGADRP CCc1ccc([C@@H](CNC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)[NH+](C)C)cc1 ZINC000443652738 500750341 /nfs/dbraw/zinc/75/03/41/500750341.db2.gz LOIWOMPWEFNUJQ-QFBILLFUSA-N 2 0 362.562 3.127 20 0 FGADRP C[NH+](C)CCN(C(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1)C1CCCC1 ZINC000438327012 500770156 /nfs/dbraw/zinc/77/01/56/500770156.db2.gz QODZDFCNAUFUPD-FQEVSTJZSA-N 2 0 364.578 3.299 20 0 FGADRP CCO[C@@H]1C[C@](CO)([NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3C)CC2)C1(C)C ZINC000438330763 500770690 /nfs/dbraw/zinc/77/06/90/500770690.db2.gz VTRSGCNLFBPGSW-HKJQZYRSSA-N 2 0 352.563 3.185 20 0 FGADRP CC[N@H+](C)CCNC(=O)[C@@H](c1c(F)cccc1Cl)N1CCCCC1 ZINC000433984349 500776047 /nfs/dbraw/zinc/77/60/47/500776047.db2.gz HIPDKLBDDNAVOV-QGZVFWFLSA-N 2 0 355.885 3.074 20 0 FGADRP COc1ccc(C[NH2+]CC2(C)CC[NH+](C)CC2)c(OCc2cccnc2)c1 ZINC000443998693 500789820 /nfs/dbraw/zinc/78/98/20/500789820.db2.gz QWVDAAVJRCZMFQ-UHFFFAOYSA-N 2 0 369.509 3.491 20 0 FGADRP CC1(C)CCC[N@H+](CCNC(=O)c2ccc(Nc3cc[nH+]cc3)cc2)C1 ZINC000444625302 500869153 /nfs/dbraw/zinc/86/91/53/500869153.db2.gz ZSEIKFPCIMXGOU-UHFFFAOYSA-N 2 0 352.482 3.099 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)N1[C@@H]2CC[C@H]1C[N@H+](CC)CC2)c1ccccc1 ZINC000439253815 500875028 /nfs/dbraw/zinc/87/50/28/500875028.db2.gz BREWKAUWIWRUQI-HKBOAZHASA-N 2 0 372.557 3.338 20 0 FGADRP C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000434782004 500893771 /nfs/dbraw/zinc/89/37/71/500893771.db2.gz HKEYJDSHSNYJRA-UXPWSPDFSA-N 2 0 357.542 3.298 20 0 FGADRP C[C@@H]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)C[N@@H+]1Cc1ccccc1 ZINC000439789881 500939403 /nfs/dbraw/zinc/93/94/03/500939403.db2.gz RWNJGMSJDZMMRA-YFVAEKQCSA-N 2 0 355.526 3.173 20 0 FGADRP CC(C)[NH+](CCC[NH2+]C[C@@H](C)c1ccc(S(C)(=O)=O)cc1)C(C)C ZINC000449180624 500942273 /nfs/dbraw/zinc/94/22/73/500942273.db2.gz AWNGYPFYUGGKDN-QGZVFWFLSA-N 2 0 354.560 3.292 20 0 FGADRP COc1cccc(CC[NH2+]C2CC[NH+]([C@H](C)Cc3ccccc3)CC2)n1 ZINC000449194729 500944843 /nfs/dbraw/zinc/94/48/43/500944843.db2.gz XZGCZTUOUWMAQE-GOSISDBHSA-N 2 0 353.510 3.318 20 0 FGADRP C[NH+](C)C1CCN(CC[NH2+]C2CC[NH+](C(C)(C)CC(C)(C)C)CC2)CC1 ZINC000449223840 500951752 /nfs/dbraw/zinc/95/17/52/500951752.db2.gz KQAKQHLALWFPDU-UHFFFAOYSA-N 3 0 366.638 3.281 20 0 FGADRP C[NH+](C)CCNC(=O)c1ccc(C[NH2+]Cc2cccc3ccoc32)cc1 ZINC000449227973 500952399 /nfs/dbraw/zinc/95/23/99/500952399.db2.gz WZQZTAMLMGXTCF-UHFFFAOYSA-N 2 0 351.450 3.014 20 0 FGADRP Cc1cccn2cc(COc3ccc(C[N@H+]4CC[C@H]([C@H](C)[NH3+])C4)cc3)nc12 ZINC000435373374 500961382 /nfs/dbraw/zinc/96/13/82/500961382.db2.gz MXQZLOGTJLXSRK-HKUYNNGSSA-N 2 0 364.493 3.391 20 0 FGADRP C[C@@H]([NH3+])C1CC[NH+](Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)CC1 ZINC000435373287 500961578 /nfs/dbraw/zinc/96/15/78/500961578.db2.gz DFYFQVJXQPQFFQ-CYBMUJFWSA-N 2 0 352.404 3.450 20 0 FGADRP CC[NH2+]CC1CC[NH+](Cc2ccc(OC)c(OCc3cccnc3)c2)CC1 ZINC000435377459 500962911 /nfs/dbraw/zinc/96/29/11/500962911.db2.gz BSWIGUYFNFIHBZ-UHFFFAOYSA-N 2 0 369.509 3.491 20 0 FGADRP COc1cc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)ccc1OCc1ccccc1 ZINC000435379202 500963708 /nfs/dbraw/zinc/96/37/08/500963708.db2.gz LNDRSDPNURCVAN-XUVXKRRUSA-N 2 0 352.478 3.443 20 0 FGADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3cn(-c4ccccc4)nc3-c3ccncc3)C[C@H]21 ZINC000435382642 500964385 /nfs/dbraw/zinc/96/43/85/500964385.db2.gz DXYYXDPQCRAEGL-STZQEDGTSA-N 2 0 373.504 3.494 20 0 FGADRP COc1ccc(OCc2ccccn2)c(CN(C)CC[C@@H]([NH3+])C(C)C)c1 ZINC000435386541 500964904 /nfs/dbraw/zinc/96/49/04/500964904.db2.gz XFRQSKBUFSGGHQ-HXUWFJFHSA-N 2 0 357.498 3.474 20 0 FGADRP COc1cc(C)ccc1CNC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000449286231 500966317 /nfs/dbraw/zinc/96/63/17/500966317.db2.gz SJGJERILZCDWQR-NRFANRHFSA-N 2 0 354.494 3.384 20 0 FGADRP CC(C)Cc1ncc(CN(Cc2nccn2C)[C@H]2CC23CC[NH2+]CC3)s1 ZINC000435426400 500972716 /nfs/dbraw/zinc/97/27/16/500972716.db2.gz HWGPGCCASPNRHR-KRWDZBQOSA-N 2 0 373.570 3.219 20 0 FGADRP COc1cc2ccccc2cc1C[N@@H+]1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000449326452 500978724 /nfs/dbraw/zinc/97/87/24/500978724.db2.gz VWRTUERDKRWGBD-GOSISDBHSA-N 2 0 367.537 3.449 20 0 FGADRP Cn1ccnc1CN(Cc1ccc2ccccc2n1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435685830 501011498 /nfs/dbraw/zinc/01/14/98/501011498.db2.gz ZUVZKOVZZXXLRB-HXUWFJFHSA-N 2 0 361.493 3.113 20 0 FGADRP CCc1ccc(CC[N@H+](Cc2nccn2C)[C@@H]2CC23CC[NH2+]CC3)cc1 ZINC000435695364 501013378 /nfs/dbraw/zinc/01/33/78/501013378.db2.gz NDYFHUOOIHWYRA-HXUWFJFHSA-N 2 0 352.526 3.169 20 0 FGADRP CCn1ccnc1C[N@H+](CCc1ccc(C)cc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435698295 501014037 /nfs/dbraw/zinc/01/40/37/501014037.db2.gz WETBGWDPDVYCCM-HXUWFJFHSA-N 2 0 352.526 3.398 20 0 FGADRP Cn1nccc1[C@@H]1C[C@@H]([NH2+]CC(C)(C)C[N@H+](C)Cc2ccccc2)CCO1 ZINC000449582000 501037714 /nfs/dbraw/zinc/03/77/14/501037714.db2.gz DAYPHODWHFEADI-FPOVZHCZSA-N 2 0 370.541 3.388 20 0 FGADRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2cc3ccccc3cc2OC)CC1 ZINC000449744693 501073215 /nfs/dbraw/zinc/07/32/15/501073215.db2.gz JDOJDARQBRMDDK-UHFFFAOYSA-N 2 0 355.526 3.354 20 0 FGADRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2cccc(-c3cccnc3)c2)CC1 ZINC000449748075 501074890 /nfs/dbraw/zinc/07/48/90/501074890.db2.gz ZHMWOLMLLKQDEQ-UHFFFAOYSA-N 2 0 352.526 3.254 20 0 FGADRP CC[N@@H+]1CCC[C@@H](CNC(=O)NCC[NH+]2CCC3(CCCCC3)CC2)C1 ZINC000441015954 501075482 /nfs/dbraw/zinc/07/54/82/501075482.db2.gz ZNAXIEBNKFGEKU-IBGZPJMESA-N 2 0 364.578 3.064 20 0 FGADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@H]2CCO[C@@H](c3nccn3C)C2)CC1 ZINC000449781065 501085264 /nfs/dbraw/zinc/08/52/64/501085264.db2.gz ZGSFFTSCYWFIOP-BTHPGYMESA-N 2 0 360.546 3.273 20 0 FGADRP O=C(NCC1CCN(c2cc[nH+]cc2)CC1)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC000450386926 501108432 /nfs/dbraw/zinc/10/84/32/501108432.db2.gz IBBSMJZKZQYRHQ-OAQYLSRUSA-N 2 0 370.541 3.211 20 0 FGADRP CC(C)[NH+](Cc1cc(C[N@@H+](C[C@@H](C)O)C(C)C)ccc1F)C[C@@H](C)O ZINC000450395903 501111036 /nfs/dbraw/zinc/11/10/36/501111036.db2.gz UTUMQGAXTBQGHR-IAGOWNOFSA-N 2 0 354.510 3.008 20 0 FGADRP CC[NH+](CC)CCN(Cc1ccccc1)C(=O)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000441382166 501130309 /nfs/dbraw/zinc/13/03/09/501130309.db2.gz NKEROCDJCOCAJY-UYAOXDASSA-N 2 0 372.557 3.165 20 0 FGADRP CCN(C(=O)NCC1([NH+](C)C)CCC1)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000446611699 501141806 /nfs/dbraw/zinc/14/18/06/501141806.db2.gz ACGGRCVUJVGGHA-ICSRJNTNSA-N 2 0 372.557 3.338 20 0 FGADRP CCC[NH+]1CCC(C[NH2+][C@H](CCn2cncn2)c2ccc(OC)cc2)CC1 ZINC000446819204 501168260 /nfs/dbraw/zinc/16/82/60/501168260.db2.gz WFCKRJZNYSDUHV-OAQYLSRUSA-N 2 0 371.529 3.130 20 0 FGADRP Cc1ccc([C@H](CCn2cncn2)[NH2+]CC2(C[NH+](C)C)CCCC2)cc1 ZINC000446881910 501176805 /nfs/dbraw/zinc/17/68/05/501176805.db2.gz XDYWPMPGMUKSIA-FQEVSTJZSA-N 2 0 355.530 3.430 20 0 FGADRP c1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH2+]CC4CC[NH+](C5CC5)CC4)[C@@H]3C2)cc1 ZINC000446882389 501177058 /nfs/dbraw/zinc/17/70/58/501177058.db2.gz DHYXHFHSMXTDSY-WWNPGLIZSA-N 3 0 353.554 3.361 20 0 FGADRP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+][C@H]2CCCN(c3ccnn3C)C2)CC1 ZINC000447066260 501199652 /nfs/dbraw/zinc/19/96/52/501199652.db2.gz JLWBWWVREFGAIW-YZGWKJHDSA-N 2 0 359.562 3.022 20 0 FGADRP C[C@H](CN1CCCC1=O)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000453083727 501265287 /nfs/dbraw/zinc/26/52/87/501265287.db2.gz GHGYGSOKLWPCGD-GFOJFJKKSA-N 2 0 355.526 3.030 20 0 FGADRP CC(C)[C@@H](C[NH2+][C@@H](C)c1cc(-c2ccccc2)nn1C)N1CC[NH+](C)CC1 ZINC000453097834 501268454 /nfs/dbraw/zinc/26/84/54/501268454.db2.gz WKBCKHSQLXRNGJ-PGRDOPGGSA-N 2 0 369.557 3.010 20 0 FGADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000453126753 501274670 /nfs/dbraw/zinc/27/46/70/501274670.db2.gz KTQMVNCRTFDGET-KAOXLYBCSA-N 3 0 373.585 3.376 20 0 FGADRP C[C@@H]([NH2+]CCc1ccc(OCC[N@@H+]2C[C@H](C)[C@H](C)C2)cc1)c1cn[nH]c1 ZINC000453158693 501280715 /nfs/dbraw/zinc/28/07/15/501280715.db2.gz BTLGMPHFPJHVGS-FGTMMUONSA-N 2 0 356.514 3.270 20 0 FGADRP CC(C)C(=O)NCCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000453183493 501287151 /nfs/dbraw/zinc/28/71/51/501287151.db2.gz SKZFFESDHXTDFU-HBMCJLEFSA-N 2 0 357.542 3.182 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)NCC[C@@H]1CCC[N@H+](C)C1)c1ccsc1 ZINC000457698597 501289922 /nfs/dbraw/zinc/28/99/22/501289922.db2.gz ZCIGDXYYYFICGH-WMZOPIPTSA-N 2 0 366.575 3.162 20 0 FGADRP Cc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)c(=O)n1C ZINC000453209099 501291537 /nfs/dbraw/zinc/29/15/37/501291537.db2.gz CTABQCGIYQXIMH-VSKRKVRLSA-N 2 0 365.521 3.227 20 0 FGADRP c1nc2c([nH]1)C[C@H]([NH2+][C@H]1CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]31)CC2 ZINC000453252987 501300339 /nfs/dbraw/zinc/30/03/39/501300339.db2.gz MYOWOBKDUGJDOV-NXWNEQKCSA-N 2 0 350.510 3.300 20 0 FGADRP C[C@H]([NH2+]C[C@@H](O)Cc1cccc(F)c1)c1cccc(OCC[NH+](C)C)c1 ZINC000453254945 501300582 /nfs/dbraw/zinc/30/05/82/501300582.db2.gz YZEJRJKFVDTIIH-JXFKEZNVSA-N 2 0 360.473 3.020 20 0 FGADRP CC(C)[NH+]1CCN(CCC[NH2+][C@H]2C[C@@H](Oc3ccccc3)C2(C)C)CC1 ZINC000451511374 501309822 /nfs/dbraw/zinc/30/98/22/501309822.db2.gz QIKUDKLHMYBKMB-LEWJYISDSA-N 2 0 359.558 3.238 20 0 FGADRP Cc1cnc(CC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)cn1 ZINC000453399817 501325016 /nfs/dbraw/zinc/32/50/16/501325016.db2.gz LQHFVRXPOBXJMW-BDTNDASRSA-N 2 0 350.510 3.360 20 0 FGADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)NC(C)(C)CCC[NH+](C)C)C1 ZINC000457933691 501338135 /nfs/dbraw/zinc/33/81/35/501338135.db2.gz QLRNTULQIKSEMQ-MJGOQNOKSA-N 2 0 360.546 3.242 20 0 FGADRP Cc1ccc([C@H](CNC(=O)NCCCC[N@@H+](C)C2CC2)[NH+]2CCCC2)cc1 ZINC000455610419 501346292 /nfs/dbraw/zinc/34/62/92/501346292.db2.gz KZNSYTOLWNANOV-NRFANRHFSA-N 2 0 372.557 3.306 20 0 FGADRP COc1cc(Br)c(C[NH2+]CCCC[N@H+](C)C2CC2)cc1O ZINC000453591608 501356189 /nfs/dbraw/zinc/35/61/89/501356189.db2.gz CWCYCBVJNVQTRY-UHFFFAOYSA-N 2 0 357.292 3.127 20 0 FGADRP C[N@H+](CCCC[NH2+]Cc1cnc2ccc(Br)cn12)C1CC1 ZINC000453593714 501356995 /nfs/dbraw/zinc/35/69/95/501356995.db2.gz HINSSNGXISRPJR-UHFFFAOYSA-N 2 0 351.292 3.061 20 0 FGADRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2sc(C)cc2Br)CC1 ZINC000453599780 501358054 /nfs/dbraw/zinc/35/80/54/501358054.db2.gz QDHXEFKUTCKTOO-UHFFFAOYSA-N 2 0 374.392 3.325 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(C2CCC2)cn1 ZINC000455681546 501364005 /nfs/dbraw/zinc/36/40/05/501364005.db2.gz PTXIALATWCUZBQ-IBGZPJMESA-N 2 0 373.545 3.229 20 0 FGADRP CC1(C)COC[C@H]1[NH2+]Cc1cc(Cl)cc(C[NH2+][C@@H]2COCC2(C)C)c1 ZINC000451807195 501376156 /nfs/dbraw/zinc/37/61/56/501376156.db2.gz APMUNFAOROCYTQ-QZTJIDSGSA-N 2 0 366.933 3.369 20 0 FGADRP C[NH+](C)[C@H]1CCc2cc(NC(=O)NC3CC([NH+]4CCCCC4)C3)ccc21 ZINC000455843300 501398367 /nfs/dbraw/zinc/39/83/67/501398367.db2.gz GKFYSCUPVLHXGI-QLOJAFMTSA-N 2 0 356.514 3.374 20 0 FGADRP C[NH+](C)CCCC(C)(C)NC(=O)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000456206352 501474876 /nfs/dbraw/zinc/47/48/76/501474876.db2.gz QRWSMTNQNNXXGZ-SFHVURJKSA-N 2 0 363.521 3.274 20 0 FGADRP CC1CC[NH+](C2CCC(NC(=O)NCC[C@H]3CCC[N@H+](C)C3)CC2)CC1 ZINC000458568633 501476159 /nfs/dbraw/zinc/47/61/59/501476159.db2.gz KXQNUNYGWPWAMQ-XEVCZEQESA-N 2 0 364.578 3.061 20 0 FGADRP C[C@H](NC(=O)NC(C)(C)C[NH+]1CCCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000458663790 501502334 /nfs/dbraw/zinc/50/23/34/501502334.db2.gz FUAYYMBDBIBAKB-ICSRJNTNSA-N 2 0 372.557 3.071 20 0 FGADRP C[C@@H](CCNC(=O)N(CC[NH+](C)C)Cc1ccsc1)[NH+]1CCCCC1 ZINC000458670367 501503637 /nfs/dbraw/zinc/50/36/37/501503637.db2.gz WSEBSUSAMZWGPW-KRWDZBQOSA-N 2 0 366.575 3.086 20 0 FGADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC2CC[NH+](C3CCC3)CC2)C1 ZINC000454481178 501556506 /nfs/dbraw/zinc/55/65/06/501556506.db2.gz IECQOOAVENSUBO-QGZVFWFLSA-N 2 0 364.578 3.203 20 0 FGADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)N[C@@H](CC(C)C)C[NH+]2CCCC2)C[C@H]1C ZINC000458933507 501561810 /nfs/dbraw/zinc/56/18/10/501561810.db2.gz IRAAEPDNRJEFHQ-CEXWTWQISA-N 2 0 352.567 3.011 20 0 FGADRP C[C@H]1C[C@@H](N(C)C(=O)NCC2([NH+](C)Cc3ccccc3)CCC2)CC[N@@H+]1C ZINC000458972859 501568236 /nfs/dbraw/zinc/56/82/36/501568236.db2.gz LGCZSFFSCRQFPD-ICSRJNTNSA-N 2 0 372.557 3.165 20 0 FGADRP CC[C@@H]1C[C@H]1CNC(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000458983985 501571095 /nfs/dbraw/zinc/57/10/95/501571095.db2.gz DVYVVUKNVDHAHA-BWPNAZKDSA-N 2 0 364.578 3.011 20 0 FGADRP CCOC[C@H](O)C[N@@H+]1CC(C)(C)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000453007304 501599994 /nfs/dbraw/zinc/59/99/94/501599994.db2.gz CWZMYCRQJSWZSP-NHCUHLMSSA-N 2 0 360.542 3.006 20 0 FGADRP C[N@H+](CCCCNC(=O)N1CCC[NH+](CC2CCCCC2)CC1)C1CC1 ZINC000459191718 501611322 /nfs/dbraw/zinc/61/13/22/501611322.db2.gz MTIDSVJZJOASGB-UHFFFAOYSA-N 2 0 364.578 3.158 20 0 FGADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)NCc1ccc2c[nH+]cn2c1 ZINC000459207809 501613926 /nfs/dbraw/zinc/61/39/26/501613926.db2.gz DRDJUOSDPZHVQV-HKUYNNGSSA-N 2 0 357.502 3.034 20 0 FGADRP CN(C(=O)NCC[C@H]1CCC[NH+](C)C1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000459270009 501622842 /nfs/dbraw/zinc/62/28/42/501622842.db2.gz UTXQDXUGSVECNF-NHCUHLMSSA-N 2 0 372.557 3.024 20 0 FGADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)NCCCCC[NH+]1CCCC1 ZINC000454788498 501629700 /nfs/dbraw/zinc/62/97/00/501629700.db2.gz BCBJHIGGCRQWDQ-PZJWPPBQSA-N 2 0 372.557 3.072 20 0 FGADRP CCN(C(=O)NCC[C@H]1CCC[NH+](C)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000459327142 501631511 /nfs/dbraw/zinc/63/15/11/501631511.db2.gz XKHTUFOACFIEBZ-NHCUHLMSSA-N 2 0 372.557 3.024 20 0 FGADRP COC(=O)c1cccnc1C[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000459367500 501640403 /nfs/dbraw/zinc/64/04/03/501640403.db2.gz FLTQBBCIGLPACK-UHFFFAOYSA-N 2 0 368.481 3.002 20 0 FGADRP CC1(c2ccccc2)CC([NH2+]Cc2ccccc2C[N@@H+]2CC[C@H](O)C2)C1 ZINC000459469376 501659009 /nfs/dbraw/zinc/65/90/09/501659009.db2.gz SCOHMZZZMISWQU-KOENEWCDSA-N 2 0 350.506 3.463 20 0 FGADRP C[C@H]1[C@H](NC(=O)NCCCCC[NH+]2CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000454960856 501662622 /nfs/dbraw/zinc/66/26/22/501662622.db2.gz MLUBABZHHYVHMN-PZJWPPBQSA-N 2 0 372.557 3.215 20 0 FGADRP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+](C)C2CC(C)(C)C2)CC1 ZINC000459746083 501707789 /nfs/dbraw/zinc/70/77/89/501707789.db2.gz UIHIQKDDNYVIRV-UHFFFAOYSA-N 2 0 357.542 3.196 20 0 FGADRP CC[C@@H](C)[NH+]1CCN(C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)CC1 ZINC000457488430 501708729 /nfs/dbraw/zinc/70/87/29/501708729.db2.gz KAULMBKUJYCJPV-SJORKVTESA-N 2 0 364.559 3.011 20 0 FGADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000477633423 501744630 /nfs/dbraw/zinc/74/46/30/501744630.db2.gz HDGBIKCWNIZMQD-KRWDZBQOSA-N 2 0 360.546 3.313 20 0 FGADRP CCCC[N@H+](C)C[C@H](C)NC(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000460168293 501747237 /nfs/dbraw/zinc/74/72/37/501747237.db2.gz JNNQQGQPXQEPKZ-ICSRJNTNSA-N 2 0 360.546 3.243 20 0 FGADRP CC[NH+]1CCN(c2ccc(NC(=O)CC[C@@H]3CCCC[N@@H+]3C)c(C)c2)CC1 ZINC000477645641 501748744 /nfs/dbraw/zinc/74/87/44/501748744.db2.gz PHIXSAJJBRTNDT-IBGZPJMESA-N 2 0 372.557 3.340 20 0 FGADRP Fc1cncc([C@@H]([NH2+]CCN2CC[NH+](Cc3ccccc3)CC2)C2CC2)c1 ZINC000467310621 501767419 /nfs/dbraw/zinc/76/74/19/501767419.db2.gz JBAULDTXTPEGGJ-QFIPXVFZSA-N 2 0 368.500 3.079 20 0 FGADRP O=C(NCCC[NH+]1CCCCCC1)[C@H]1CCCN1Cc1ccc(F)cc1 ZINC000474316799 501787772 /nfs/dbraw/zinc/78/77/72/501787772.db2.gz AWFFPCXXVFOWAG-HXUWFJFHSA-N 2 0 361.505 3.172 20 0 FGADRP Cn1ccnc1CC1CC[NH+](C[C@H](O)Cc2ccc3ccccc3c2)CC1 ZINC000470775037 501798137 /nfs/dbraw/zinc/79/81/37/501798137.db2.gz VYZGRXFYPZNEJJ-JOCHJYFZSA-N 2 0 363.505 3.431 20 0 FGADRP CC[C@@H](C)NC(=O)[C@H](C)[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000485479895 501832819 /nfs/dbraw/zinc/83/28/19/501832819.db2.gz WZZYCIHVWHPIKD-MOPGFXCFSA-N 2 0 357.542 3.278 20 0 FGADRP CCC[N@H+](CC)C[C@@H](C)NC(=O)N[C@@H](C)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000460647455 501884888 /nfs/dbraw/zinc/88/48/88/501884888.db2.gz HULRIERMGNHXIF-SQNIBIBYSA-N 2 0 352.567 3.059 20 0 FGADRP C[C@H](Cc1ccccc1C(F)(F)F)[NH2+]CCCC[N@@H+]1CCC[C@@H]1CO ZINC000481926726 501921508 /nfs/dbraw/zinc/92/15/08/501921508.db2.gz WPBXXRPHCGNJOX-NVXWUHKLSA-N 2 0 358.448 3.463 20 0 FGADRP C[C@@H](Cc1ccccc1C(F)(F)F)[NH2+]CCCC[N@@H+]1CCC[C@@H]1CO ZINC000481926724 501921802 /nfs/dbraw/zinc/92/18/02/501921802.db2.gz WPBXXRPHCGNJOX-DOTOQJQBSA-N 2 0 358.448 3.463 20 0 FGADRP CC(C)C[C@H](CNC(=O)N[C@@H]1CC[N@@H+](C2CC2)C1)[NH2+][C@@H](C)c1ccccc1 ZINC000468021595 501932218 /nfs/dbraw/zinc/93/22/18/501932218.db2.gz KHKSAFBAEVWUFS-DFQSSKMNSA-N 2 0 372.557 3.288 20 0 FGADRP CC[C@@]1(C)CCN(CC(=O)Nc2nc(CN3CCC(C)CC3)cs2)C1 ZINC000468135490 501968141 /nfs/dbraw/zinc/96/81/41/501968141.db2.gz CFGCBBJLIIABJN-IBGZPJMESA-N 2 0 364.559 3.436 20 0 FGADRP CC(C)C[C@H]([NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1)c1ccccn1 ZINC000482109081 501977451 /nfs/dbraw/zinc/97/74/51/501977451.db2.gz JCQGYCCZMBQCOK-QFIPXVFZSA-N 2 0 367.541 3.366 20 0 FGADRP c1ccc2c(c1)OCCC[C@@H]2[NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000482117913 501980145 /nfs/dbraw/zinc/98/01/45/501980145.db2.gz CVSBOVRHDATCDJ-NRFANRHFSA-N 2 0 366.509 3.097 20 0 FGADRP C[C@@H](C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)c1cccc(Cl)c1 ZINC000460991809 501982835 /nfs/dbraw/zinc/98/28/35/501982835.db2.gz ZIDRPFHLVFIHJA-MRXNPFEDSA-N 2 0 353.938 3.176 20 0 FGADRP Cc1ccccc1[C@@H]1CC[N@@H+](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000475037316 502029921 /nfs/dbraw/zinc/02/99/21/502029921.db2.gz CSHLLXHTDMRUNB-IRLDBZIGSA-N 2 0 365.521 3.203 20 0 FGADRP C[NH+](C)[C@@H](CNC(=O)C[NH2+][C@@H](c1cccs1)C1CC1)c1ccccc1 ZINC000475132989 502072282 /nfs/dbraw/zinc/07/22/82/502072282.db2.gz VWAPEAYJEDWWNJ-FXAWDEMLSA-N 2 0 357.523 3.208 20 0 FGADRP C[NH+](C)CCCOc1ccc(CNC(=O)c2ccccc2C[NH+](C)C)cc1 ZINC000486185466 502076983 /nfs/dbraw/zinc/07/69/83/502076983.db2.gz RYMPCJLGLKNSPG-UHFFFAOYSA-N 2 0 369.509 3.009 20 0 FGADRP COC[C@@H]([NH2+][C@H](C)CCN1CC[NH+](C)CC1)c1cccc(C(F)(F)F)c1 ZINC000471600062 502081711 /nfs/dbraw/zinc/08/17/11/502081711.db2.gz ZCBVGRWTPQNDTD-CRAIPNDOSA-N 2 0 373.463 3.009 20 0 FGADRP COC[C@@H](Cc1ccccc1)[N@H+](C)Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000475150241 502081915 /nfs/dbraw/zinc/08/19/15/502081915.db2.gz HQAQGWRQWKMNGS-OAQYLSRUSA-N 2 0 350.466 3.265 20 0 FGADRP COC[C@H]([NH2+][C@H](C)CCN1CC[NH+](C)CC1)c1cccc(C(F)(F)F)c1 ZINC000471600064 502082385 /nfs/dbraw/zinc/08/23/85/502082385.db2.gz ZCBVGRWTPQNDTD-QAPCUYQASA-N 2 0 373.463 3.009 20 0 FGADRP CCN(C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475180267 502092492 /nfs/dbraw/zinc/09/24/92/502092492.db2.gz XTDZAVKFHDEGFX-NJYVYQBISA-N 2 0 372.557 3.165 20 0 FGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCc2ccc(OC)c(F)c2)[C@@H](C)C1 ZINC000482531797 502102246 /nfs/dbraw/zinc/10/22/46/502102246.db2.gz JOYXJOAPJGPURF-QFBILLFUSA-N 2 0 352.494 3.103 20 0 FGADRP COc1cccc2c1CC[C@H]2[NH2+]CCc1ccc(OCC[NH+](C)C)cc1 ZINC000482542428 502106297 /nfs/dbraw/zinc/10/62/97/502106297.db2.gz IPVDMZCUABMFFP-OAQYLSRUSA-N 2 0 354.494 3.455 20 0 FGADRP NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+][C@@H]2CCCc3c4ccccc4sc32)C1 ZINC000482568544 502113899 /nfs/dbraw/zinc/11/38/99/502113899.db2.gz HFUURTMIQGOGEP-CRAIPNDOSA-N 2 0 371.550 3.456 20 0 FGADRP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1CCCC[NH+](Cc2ccccc2)C1 ZINC000461473186 502127895 /nfs/dbraw/zinc/12/78/95/502127895.db2.gz QCWFVZLYMGDBHO-RTWAWAEBSA-N 2 0 357.542 3.279 20 0 FGADRP C[C@@H](CNC(=O)N[C@@H](C)[C@H](c1ccccc1)[NH+](C)C)[N@@H+]1CCCC[C@H]1C ZINC000479270112 502212398 /nfs/dbraw/zinc/21/23/98/502212398.db2.gz DNHIUCSLLVQOHH-DOADOZAASA-N 2 0 360.546 3.240 20 0 FGADRP CCC[NH+]1CCN(c2ccccc2CNC2CC([NH+]3CCCCC3)C2)CC1 ZINC000475564239 502213972 /nfs/dbraw/zinc/21/39/72/502213972.db2.gz JJDQWEIXRSPBKJ-UHFFFAOYSA-N 2 0 370.585 3.325 20 0 FGADRP CCC(CC)[C@@H](CNC(=O)NC[C@H]1CC[N@H+](CC(C)C)C1)[NH+]1CCCC1 ZINC000465216816 502217310 /nfs/dbraw/zinc/21/73/10/502217310.db2.gz VYSAPOWRKDGDGM-UYAOXDASSA-N 2 0 366.594 3.164 20 0 FGADRP CCN(CCC[NH+](CC)CC)C(=O)N[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000472066954 502217598 /nfs/dbraw/zinc/21/75/98/502217598.db2.gz ZKIPGQYFXJIMLF-MOPGFXCFSA-N 2 0 366.594 3.403 20 0 FGADRP CCN(CCC[NH+]1CCCC1)C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000472089875 502227397 /nfs/dbraw/zinc/22/73/97/502227397.db2.gz XFZQUFPMCJCLKH-TZIWHRDSSA-N 2 0 372.557 3.024 20 0 FGADRP COCC[N@H+](C)CCC[NH2+][C@H]1CCCc2cc(Br)ccc21 ZINC000479357041 502234531 /nfs/dbraw/zinc/23/45/31/502234531.db2.gz JFHAXTWQOJZFAX-KRWDZBQOSA-N 2 0 355.320 3.384 20 0 FGADRP Cc1ccccc1[C@@H]([C@@H](C)NC(=O)NCC[NH+]1CCC(C)CC1)[NH+](C)C ZINC000479396654 502246135 /nfs/dbraw/zinc/24/61/35/502246135.db2.gz VTNUFIYMTQLMEJ-UYAOXDASSA-N 2 0 360.546 3.017 20 0 FGADRP CC(C)COC[C@@H](O)C[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000475738345 502275005 /nfs/dbraw/zinc/27/50/05/502275005.db2.gz JIWUDLRABQMQMV-FCHUYYIVSA-N 2 0 360.542 3.008 20 0 FGADRP C[C@H](CC[NH+](C)C)NC(=O)N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000479502587 502278818 /nfs/dbraw/zinc/27/88/18/502278818.db2.gz PQXKYSBNQDZEIN-MSOLQXFVSA-N 2 0 352.567 3.013 20 0 FGADRP O[C@H](C[NH2+]C(Cc1ccccc1F)Cc1ccccc1F)C[NH+]1CCCC1 ZINC000462051327 502287350 /nfs/dbraw/zinc/28/73/50/502287350.db2.gz UFPORDSHZNCICH-HXUWFJFHSA-N 2 0 374.475 3.165 20 0 FGADRP Cc1c([C@H](C)[NH2+][C@H]2CCN(Cc3ccccc3)C[C@@H]2CO)cnn1C(C)C ZINC000469086370 502291456 /nfs/dbraw/zinc/29/14/56/502291456.db2.gz YHJOSSXQLMMXGW-WEYGHZABSA-N 2 0 370.541 3.306 20 0 FGADRP C[NH+](C)[C@H]1CCC[C@H](NC(=O)NC(C)(C)CC[NH+]2CCCCCC2)C1 ZINC000483152268 502293601 /nfs/dbraw/zinc/29/36/01/502293601.db2.gz RLZUMKYRBGYVCJ-ROUUACIJSA-N 2 0 352.567 3.203 20 0 FGADRP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)NC(C)(C)CC[NH+]2CCCCCC2)C1 ZINC000483152272 502294468 /nfs/dbraw/zinc/29/44/68/502294468.db2.gz RLZUMKYRBGYVCJ-ZWKOTPCHSA-N 2 0 352.567 3.203 20 0 FGADRP C[C@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)c1cccc(NS(C)(=O)=O)c1 ZINC000483154208 502295789 /nfs/dbraw/zinc/29/57/89/502295789.db2.gz IGMAKHPQYIJPAV-YOEHRIQHSA-N 2 0 355.548 3.075 20 0 FGADRP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)NC[C@@H](C1CCCCC1)[NH+](C)C ZINC000465541905 502299928 /nfs/dbraw/zinc/29/99/28/502299928.db2.gz MQWPFFYLHJITBT-OALUTQOASA-N 2 0 352.567 3.013 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000465557175 502306781 /nfs/dbraw/zinc/30/67/81/502306781.db2.gz DUYSENJQQISHJJ-OAQYLSRUSA-N 2 0 372.557 3.202 20 0 FGADRP CC(C)[NH+](CCN(C)C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1)C(C)C ZINC000472309946 502309261 /nfs/dbraw/zinc/30/92/61/502309261.db2.gz KBKLQJXAFHPMKU-OAQYLSRUSA-N 2 0 374.573 3.269 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC000469138132 502312063 /nfs/dbraw/zinc/31/20/63/502312063.db2.gz QHTQZIPLPHBVBM-TZIWHRDSSA-N 2 0 372.557 3.159 20 0 FGADRP Clc1csc(C[NH2+]CCCN2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000486960876 502316498 /nfs/dbraw/zinc/31/64/98/502316498.db2.gz BOCKQHMZVYFCMS-UHFFFAOYSA-N 2 0 350.919 3.098 20 0 FGADRP CC[NH+]1CCN(Cc2ccccc2C[NH2+]C/C=C\c2ccncc2)CC1 ZINC000486960513 502316755 /nfs/dbraw/zinc/31/67/55/502316755.db2.gz ATIQBZNUXLUZMA-WAYWQWQTSA-N 2 0 350.510 3.022 20 0 FGADRP C[N@H+](CC1CC1)C[C@H]1CCN(Cc2ccc(OCC(F)(F)F)nc2)C1 ZINC000483221824 502317805 /nfs/dbraw/zinc/31/78/05/502317805.db2.gz RXOWFFSVLKTWHZ-MRXNPFEDSA-N 2 0 357.420 3.186 20 0 FGADRP C[C@H]1C[C@H](N(C)C(=O)NCc2ccccc2C[NH+]2CCCCC2)CC[N@@H+]1C ZINC000465604113 502323063 /nfs/dbraw/zinc/32/30/63/502323063.db2.gz ULESXYCBWJUPGX-GHTZIAJQSA-N 2 0 372.557 3.297 20 0 FGADRP CC(C)[N@@H+]1[C@@H]2CC[C@H]1CN(C(=O)NC[C@]1([NH+](C)C)CCC[C@@H](C)C1)CC2 ZINC000465683792 502346788 /nfs/dbraw/zinc/34/67/88/502346788.db2.gz ABRXSLVJTFSQBZ-BNDYYXHWSA-N 2 0 364.578 3.154 20 0 FGADRP CCCN(CC[NH+]1CCCC1)C(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000479806909 502383717 /nfs/dbraw/zinc/38/37/17/502383717.db2.gz AFQIPBHJCLXEJQ-OAQYLSRUSA-N 2 0 372.557 3.341 20 0 FGADRP CCO[C@@H]1C[C@@H]([N@H+](C)CCCN2CC[NH+](C(C)C)CC2)C12CCCCC2 ZINC000472581825 502390832 /nfs/dbraw/zinc/39/08/32/502390832.db2.gz PYTFCCYRCAONGT-NHCUHLMSSA-N 2 0 365.606 3.462 20 0 FGADRP CCC[C@@H]([NH2+]C(C)C)C(=O)N[C@@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21 ZINC000479835508 502392526 /nfs/dbraw/zinc/39/25/26/502392526.db2.gz BBCXIEXMQNNEQP-RTBURBONSA-N 2 0 373.541 3.258 20 0 FGADRP CC[C@@H](C)[N@H+](C)CCNC(=O)N1CC[C@@H](C)[NH+](Cc2ccccc2)CC1 ZINC000465846405 502401144 /nfs/dbraw/zinc/40/11/44/502401144.db2.gz NWIQEFGQGSRTKV-RTBURBONSA-N 2 0 360.546 3.023 20 0 FGADRP C[C@@H]1CCC[C@](CNC(=O)NCCCCC[NH+]2CCCCC2)([NH+](C)C)C1 ZINC000476206460 502413765 /nfs/dbraw/zinc/41/37/65/502413765.db2.gz RZXSVMLGCAVFFG-CTNGQTDRSA-N 2 0 366.594 3.452 20 0 FGADRP CC[C@H](Cc1ccccc1)NC(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@@H+]1CC ZINC000465944271 502434849 /nfs/dbraw/zinc/43/48/49/502434849.db2.gz XOPWVFLAOWGBNR-NHCUHLMSSA-N 2 0 374.573 3.065 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NC1CCC(C)(C)CC1 ZINC000466017716 502455744 /nfs/dbraw/zinc/45/57/44/502455744.db2.gz PIJHAHJZNLBTDQ-SFHVURJKSA-N 2 0 352.567 3.013 20 0 FGADRP C[C@@H]1C[C@H](NC(=O)N2CCC(C[NH+](C)Cc3ccccc3)CC2)CC[N@@H+]1C ZINC000466042112 502464088 /nfs/dbraw/zinc/46/40/88/502464088.db2.gz XNRWRFBOHMIXEG-WIYYLYMNSA-N 2 0 372.557 3.023 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H]1C[C@@H]1C1CCCCC1 ZINC000466084920 502475265 /nfs/dbraw/zinc/47/52/65/502475265.db2.gz LNACSDLPCDFPOY-AQNXPRMDSA-N 2 0 364.578 3.013 20 0 FGADRP C[C@@H]([NH2+]Cc1ccc(C[NH+](C)C)cc1)c1cccc(N2CCOCC2)c1 ZINC000480139715 502481940 /nfs/dbraw/zinc/48/19/40/502481940.db2.gz IQPKFDSTGBXOMS-GOSISDBHSA-N 2 0 353.510 3.436 20 0 FGADRP C[C@H]([NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1)c1ccc(Cl)cn1 ZINC000480150941 502485158 /nfs/dbraw/zinc/48/51/58/502485158.db2.gz SOLOJMULKFKKOC-AWEZNQCLSA-N 2 0 366.937 3.012 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)N(C)[C@H]1CC[N@H+](CC)[C@@H](C)C1)c1ccco1 ZINC000483778089 502489969 /nfs/dbraw/zinc/48/99/69/502489969.db2.gz UMIUKRFJIUVALU-BZSNNMDCSA-N 2 0 364.534 3.177 20 0 FGADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)N(C)[C@H]1CC[NH+](CC)[C@@H](C)C1 ZINC000483795823 502495447 /nfs/dbraw/zinc/49/54/47/502495447.db2.gz BMKWXYQISHFTDE-GBESFXJTSA-N 2 0 352.567 3.155 20 0 FGADRP CC(C)[C@H]1CN(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)CC[N@@H+]1C ZINC000487650318 502497976 /nfs/dbraw/zinc/49/79/76/502497976.db2.gz HBMLTMKDIIKVEJ-OAQYLSRUSA-N 2 0 372.557 3.154 20 0 FGADRP C[C@@H](CCNC(=O)N1CCC[C@@H]([NH+]2CCCC2)C1)[N@H+](C)Cc1ccccc1 ZINC000473020077 502502623 /nfs/dbraw/zinc/50/26/23/502502623.db2.gz FDSFRDMRRPGLSM-PZJWPPBQSA-N 2 0 372.557 3.167 20 0 FGADRP CCC[N@H+](CC)CCNC(=O)N1CCC[NH+](Cc2ccccc2)C[C@@H]1C ZINC000473177153 502536797 /nfs/dbraw/zinc/53/67/97/502536797.db2.gz SXTAEGMSNINJJQ-IBGZPJMESA-N 2 0 360.546 3.024 20 0 FGADRP C[C@@H]([NH2+][C@@H]1CCCN(CC(F)(F)F)C1=O)c1cccc(-n2ccnc2)c1 ZINC000469779786 502542357 /nfs/dbraw/zinc/54/23/57/502542357.db2.gz LBMSSEQCPNWCEU-CZUORRHYSA-N 2 0 366.387 3.076 20 0 FGADRP COC(=O)c1cc(C[NH2+]Cc2cccc(C[N@H+](C)C(C)C)c2)n(C)c1C ZINC000462775127 502565135 /nfs/dbraw/zinc/56/51/35/502565135.db2.gz GWLXVVRRIKLNDX-UHFFFAOYSA-N 2 0 357.498 3.250 20 0 FGADRP Cc1cc(NC(=O)C[NH+]2[C@H](C)CC[C@H]2C)ccc1OCC[NH+]1CCCC1 ZINC000469869168 502576434 /nfs/dbraw/zinc/57/64/34/502576434.db2.gz CJIHMNBPLIJJOR-QZTJIDSGSA-N 2 0 359.514 3.281 20 0 FGADRP CC[NH+]1CCN(c2ccccc2C[NH2+]C[C@](C)(O)C2CCCCC2)CC1 ZINC000480475560 502577993 /nfs/dbraw/zinc/57/79/93/502577993.db2.gz YARCKVLKINMCMX-QFIPXVFZSA-N 2 0 359.558 3.249 20 0 FGADRP C[C@@H]([NH3+])[C@@H]1CCN(C(=O)c2cccc(C[N@H+](C)Cc3ccccc3)c2)C1 ZINC000484145461 502582938 /nfs/dbraw/zinc/58/29/38/502582938.db2.gz SAJPSGZHDDKJTB-DYESRHJHSA-N 2 0 351.494 3.128 20 0 FGADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](C)CC(C)(C)c1c[nH]c2ccccc21 ZINC000462807228 502583000 /nfs/dbraw/zinc/58/30/00/502583000.db2.gz ZHEMXJXTFYAMSX-ROUUACIJSA-N 2 0 356.558 3.450 20 0 FGADRP Cc1ccc([C@@H](CNc2cc(C(C)C)[nH+]c(N(C)C)n2)[NH+]2CCCC2)o1 ZINC000462807853 502583030 /nfs/dbraw/zinc/58/30/30/502583030.db2.gz BMNILKIEJMNYPD-QGZVFWFLSA-N 2 0 357.502 3.238 20 0 FGADRP COc1cccc(C[C@@H]([NH2+]CC2(O)CC[NH+](C)CC2)c2ccccc2)c1 ZINC000484183080 502594613 /nfs/dbraw/zinc/59/46/13/502594613.db2.gz YZSBQIQRZPEARE-OAQYLSRUSA-N 2 0 354.494 3.025 20 0 FGADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)[C@@H](c2ccccc2)N2CCOCC2)C1 ZINC000480584093 502610691 /nfs/dbraw/zinc/61/06/91/502610691.db2.gz PEAYUQUYJWZNDX-VWPQPMDRSA-N 2 0 359.558 3.158 20 0 FGADRP CC(C)(C)NC(=O)C[NH+]1CCC(C[NH2+]C2C3CC4CC(C3)CC2C4)CC1 ZINC000484285660 502615058 /nfs/dbraw/zinc/61/50/58/502615058.db2.gz WDVKIAPNXNKRGV-UHFFFAOYSA-N 2 0 361.574 3.027 20 0 FGADRP C[C@H]([NH2+]CCCC[NH+]1CCC(C)CC1)c1cccc(NS(C)(=O)=O)c1 ZINC000480641691 502630187 /nfs/dbraw/zinc/63/01/87/502630187.db2.gz QKBXCFXUJJYJNF-KRWDZBQOSA-N 2 0 367.559 3.221 20 0 FGADRP C[C@@H]1[C@H](NC(=O)NCCC[NH+]2CCC(C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000476989310 502643706 /nfs/dbraw/zinc/64/37/06/502643706.db2.gz MBKNEORUTNSIFG-TZIWHRDSSA-N 2 0 372.557 3.071 20 0 FGADRP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1ccc(OC(C)(C)C)cc1 ZINC000463027297 502664940 /nfs/dbraw/zinc/66/49/40/502664940.db2.gz GEJAIPYAKWGOEP-SJLPKXTDSA-N 2 0 361.530 3.102 20 0 FGADRP CO[C@@H](C)[C@H](C)[NH2+]CCCN1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000480818850 502678423 /nfs/dbraw/zinc/67/84/23/502678423.db2.gz GNHBPRJYKIRZNQ-HOTGVXAUSA-N 2 0 373.463 3.231 20 0 FGADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N[C@@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC000484591102 502679001 /nfs/dbraw/zinc/67/90/01/502679001.db2.gz NGRLZIUBTWHFDP-DOADOZAASA-N 2 0 360.546 3.097 20 0 FGADRP CC[NH+](CC)CC1CC[NH+](C[C@H](O)COc2c(C)ccc(C)c2C)CC1 ZINC000488390281 502701496 /nfs/dbraw/zinc/70/14/96/502701496.db2.gz LWVRRKHTTBFTTO-NRFANRHFSA-N 2 0 362.558 3.405 20 0 FGADRP C[C@@H](NC(=O)NC[C@H](C1CC1)[N@H+](C)Cc1ccccc1)C(C)(C)C[NH+](C)C ZINC000477183990 502701691 /nfs/dbraw/zinc/70/16/91/502701691.db2.gz BMUCCOITPPDLEI-YLJYHZDGSA-N 2 0 374.573 3.173 20 0 FGADRP CC(C)[C@@H]1C[C@@H]([NH2+]CCCN2CC[N@H+](C)C[C@H]2c2ccccc2)CS1 ZINC000488440120 502714650 /nfs/dbraw/zinc/71/46/50/502714650.db2.gz IXDLBXGNEUYMBR-HKBOAZHASA-N 2 0 361.599 3.485 20 0 FGADRP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N[C@H]2CC[NH+](C3CCCC3)C2)C1 ZINC000477240816 502715963 /nfs/dbraw/zinc/71/59/63/502715963.db2.gz AGDWQCQAYOORDB-ROUUACIJSA-N 2 0 364.578 3.203 20 0 FGADRP C[NH+](C)CC1CC[NH+](CC(=O)N(Cc2cccc(F)c2)C(C)(C)C)CC1 ZINC000480996428 502724142 /nfs/dbraw/zinc/72/41/42/502724142.db2.gz CKLPKWDWDDMKOQ-UHFFFAOYSA-N 2 0 363.521 3.226 20 0 FGADRP C[NH+](C)[C@]1(CNC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CCSC1 ZINC000463241059 502733345 /nfs/dbraw/zinc/73/33/45/502733345.db2.gz ZUVIUEGWZWIPTE-VTHDOGFWSA-N 2 0 359.583 3.209 20 0 FGADRP CC1CC[NH+]([C@@H](CNC(=O)N(C)CC[N@H+](C)C2CC2)c2ccccc2)CC1 ZINC000473907470 502745339 /nfs/dbraw/zinc/74/53/39/502745339.db2.gz ZEQMSARFVNVSTO-NRFANRHFSA-N 2 0 372.557 3.195 20 0 FGADRP C[NH+](C)CCc1ccc(CNC(=O)NC[C@H](C2CCCCC2)[NH+](C)C)cc1 ZINC000466983987 502748200 /nfs/dbraw/zinc/74/82/00/502748200.db2.gz XELZZBMINFXVKG-OAQYLSRUSA-N 2 0 374.573 3.100 20 0 FGADRP C[C@@H](CNC(=O)N1CCC[C@H]1C[NH+]1CCCCC1)[N@H+](C)Cc1ccccc1 ZINC000477342547 502748782 /nfs/dbraw/zinc/74/87/82/502748782.db2.gz RYGZVIVVBKVFBN-FPOVZHCZSA-N 2 0 372.557 3.167 20 0 FGADRP Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)c1ccc2c(c1)C[NH2+]C2 ZINC000470363139 502750639 /nfs/dbraw/zinc/75/06/39/502750639.db2.gz NHCQNMDALZJSPW-UHFFFAOYSA-N 2 0 367.518 3.399 20 0 FGADRP CC[N@@H+]1C[C@H](C)N(C(=O)N[C@H](C)[C@H]2CC[NH+](Cc3ccccc3)C2)C[C@H]1C ZINC000488558965 502750769 /nfs/dbraw/zinc/75/07/69/502750769.db2.gz MYPUKZPMZAWSLN-HDAAZOAOSA-N 2 0 372.557 3.021 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@H](C)N2CCc3ccccc3C2)[C@H](C)C1 ZINC000481104933 502754937 /nfs/dbraw/zinc/75/49/37/502754937.db2.gz JRFQNUKSULSZOH-QTEQDKRBSA-N 2 0 373.585 3.160 20 0 FGADRP CCN(C(=O)N[C@@H]1CC[NH+](C2CC2)C1)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000473957590 502762067 /nfs/dbraw/zinc/76/20/67/502762067.db2.gz DBKUMQZGTFYFPI-YFVAEKQCSA-N 2 0 370.541 3.090 20 0 FGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCN2c3ccccc3C[C@@H]2C)[C@@H](C)C1 ZINC000481187184 502777273 /nfs/dbraw/zinc/77/72/73/502777273.db2.gz FKPNARPFKTVTTO-ZJOUEHCJSA-N 2 0 359.558 3.164 20 0 FGADRP C[C@H]1C[C@H](CCNC(=O)N(C)CC[N@H+](C)C2CC2)C[NH+]1Cc1ccccc1 ZINC000474014855 502779118 /nfs/dbraw/zinc/77/91/18/502779118.db2.gz KOLDJFWEDARLKJ-ICSRJNTNSA-N 2 0 372.557 3.023 20 0 FGADRP CC[C@H](C)[N@H+](C)CCNC(=O)NC1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC000474013680 502779220 /nfs/dbraw/zinc/77/92/20/502779220.db2.gz VLAXVROLSPEAFE-QRVBRYPASA-N 2 0 374.573 3.173 20 0 FGADRP CC(C)[C@H](CNC(=O)NC1CC([NH+]2CCCCC2)C1)[NH+]1CCCCCC1 ZINC000474021087 502781096 /nfs/dbraw/zinc/78/10/96/502781096.db2.gz GHXCDJHBEJPCHL-MHJFOBGBSA-N 2 0 364.578 3.203 20 0 FGADRP CC1CC[NH+](CCCNC(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000504888230 502819148 /nfs/dbraw/zinc/81/91/48/502819148.db2.gz ICPHLTJFFBNVNG-OAQYLSRUSA-N 2 0 372.557 3.072 20 0 FGADRP C[NH+](C)C1(CNC(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CCCCC1 ZINC000504927210 502825009 /nfs/dbraw/zinc/82/50/09/502825009.db2.gz YDTZISVUIBBYDC-HXUWFJFHSA-N 2 0 372.557 3.215 20 0 FGADRP CC[C@H](OCC[N@@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1)c1ccccc1 ZINC000593013715 506337116 /nfs/dbraw/zinc/33/71/16/506337116.db2.gz SUWMVKMSUSFMNI-VXKWHMMOSA-N 2 0 359.558 3.255 20 0 FGADRP C[N@H+](C[C@H](O)Cc1ccccc1C(F)(F)F)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000513145417 502862303 /nfs/dbraw/zinc/86/23/03/502862303.db2.gz SUWZGWFCEZZCKE-FCLJQHQZSA-N 2 0 356.432 3.166 20 0 FGADRP C[C@@H]1CCC[C@@H](NC(=O)C[N@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)[C@@H]1C ZINC000501025159 502915364 /nfs/dbraw/zinc/91/53/64/502915364.db2.gz YXOHGWOVJASNQB-DBXWQHBBSA-N 2 0 372.557 3.171 20 0 FGADRP COc1ccc(OC)c(C[N@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000501052351 502923206 /nfs/dbraw/zinc/92/32/06/502923206.db2.gz JVAYWNAMNQKTNA-UHFFFAOYSA-N 2 0 355.482 3.447 20 0 FGADRP C[C@H]1C[C@@H]([NH2+]CCC(=O)N2CCCCCC2)CCN1Cc1ccccc1 ZINC000513486731 502950327 /nfs/dbraw/zinc/95/03/27/502950327.db2.gz WZSYLDYAQGJMOX-FPOVZHCZSA-N 2 0 357.542 3.422 20 0 FGADRP C[NH+](C)CCN(C(=O)c1cccc(C[N@H+](C)Cc2ccccc2)c1)C1CC1 ZINC000505662200 502962683 /nfs/dbraw/zinc/96/26/83/502962683.db2.gz VZOBPUDLXXMZNA-UHFFFAOYSA-N 2 0 365.521 3.485 20 0 FGADRP C[C@H]([NH2+]C(C)(C)CNC(=O)N1CC[C@@H]([NH+]2CCCC2)[C@H]1C)c1ccccc1 ZINC000497457163 502964274 /nfs/dbraw/zinc/96/42/74/502964274.db2.gz CVRGFINDYOLQNT-NLWGTHIKSA-N 2 0 372.557 3.384 20 0 FGADRP CC[NH+](CC)Cc1ccccc1C[NH2+]Cc1ccc2c(c1)oc(=O)n2C ZINC000509699625 502971101 /nfs/dbraw/zinc/97/11/01/502971101.db2.gz RIIHLAYHOQOICO-UHFFFAOYSA-N 2 0 353.466 3.263 20 0 FGADRP CCc1nc(CC[NH2+][C@@H]2CCCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)no1 ZINC000513655143 502991191 /nfs/dbraw/zinc/99/11/91/502991191.db2.gz LKWUJWDCUDYCKY-HSALFYBXSA-N 2 0 368.525 3.455 20 0 FGADRP C[C@H](CC[NH+](C)C)NC(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000497589152 502995228 /nfs/dbraw/zinc/99/52/28/502995228.db2.gz OQLGSWFZAYKEKU-GOSISDBHSA-N 2 0 360.546 3.202 20 0 FGADRP O[C@H](C[NH2+][C@@H]1CCCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)C(F)(F)F ZINC000513667600 502995510 /nfs/dbraw/zinc/99/55/10/502995510.db2.gz SMFQEXZLOYNPLV-WNRNVDISSA-N 2 0 356.432 3.190 20 0 FGADRP C[C@@H](Cc1ccc(O)cc1)[NH2+]CCCN1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000509846609 502997793 /nfs/dbraw/zinc/99/77/93/502997793.db2.gz BOEXOQJKBABNGW-CVDCTZTESA-N 2 0 367.537 3.292 20 0 FGADRP CC(C)(C)NC(=O)C[NH2+][C@@H]1CCCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000513707239 503004833 /nfs/dbraw/zinc/00/48/33/503004833.db2.gz ANVNJBHVIWCSMC-XUVXKRRUSA-N 2 0 357.542 3.182 20 0 FGADRP CC[NH+]1CCN(Cc2ccccc2C[NH2+][C@@H](C)Cc2ccc(O)cc2)CC1 ZINC000509958036 503018685 /nfs/dbraw/zinc/01/86/85/503018685.db2.gz RVGREVJVFHGVAH-IBGZPJMESA-N 2 0 367.537 3.251 20 0 FGADRP C[NH+](C)[C@H](CNC(=O)NCC1([NH+](C)C)CCCCCC1)c1ccsc1 ZINC000501501888 503022627 /nfs/dbraw/zinc/02/26/27/503022627.db2.gz LRDMLJTXJABZAD-QGZVFWFLSA-N 2 0 366.575 3.305 20 0 FGADRP C[NH+](C)[C@@H](CNC(=O)NC[C@@H](c1cccs1)[NH+](C)C)c1ccsc1 ZINC000501520488 503027493 /nfs/dbraw/zinc/02/74/93/503027493.db2.gz FHTGNIQNCIBSBU-GJZGRUSLSA-N 2 0 366.556 3.014 20 0 FGADRP C[C@@H]1CCC[N@H+](CCNC(=O)NCc2ccccc2C[NH+]2CCCCC2)C1 ZINC000501555775 503037438 /nfs/dbraw/zinc/03/74/38/503037438.db2.gz XHNUDZWADIAAQN-LJQANCHMSA-N 2 0 372.557 3.204 20 0 FGADRP C[C@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)c1cccc(C[NH+](C)C)c1 ZINC000501619029 503050913 /nfs/dbraw/zinc/05/09/13/503050913.db2.gz PBGGMSZJRLAMBV-OALUTQOASA-N 2 0 365.521 3.483 20 0 FGADRP CC(C)[NH+]1CCC([N@H+](C)C[C@H](O)CO[C@H]2CCCc3ccccc32)CC1 ZINC000514010133 503067678 /nfs/dbraw/zinc/06/76/78/503067678.db2.gz SUJIXHGUPLERCI-UNMCSNQZSA-N 2 0 360.542 3.246 20 0 FGADRP C[C@@H]([NH2+]CCCN1CCc2ccccc2C1)c1ccc2c(c1)OCC(=O)N2 ZINC000514084045 503083322 /nfs/dbraw/zinc/08/33/22/503083322.db2.gz OCHPITSNISMNIE-MRXNPFEDSA-N 2 0 365.477 3.117 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N[C@@H](C)C[NH+]1CCCCC1)c1ccccc1 ZINC000501808626 503084293 /nfs/dbraw/zinc/08/42/93/503084293.db2.gz DDNNTRXXQTUORF-AZUAARDMSA-N 2 0 360.546 3.243 20 0 FGADRP CCC[N@H+](CC)CCNC(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000506286939 503086597 /nfs/dbraw/zinc/08/65/97/503086597.db2.gz ZQOSOLHHENNMJV-UHFFFAOYSA-N 2 0 352.567 3.016 20 0 FGADRP COCCOCCC[NH2+][C@@H]1CCCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000514100003 503087891 /nfs/dbraw/zinc/08/78/91/503087891.db2.gz SKBOSXXRPRDNAY-YPAWHYETSA-N 2 0 360.542 3.320 20 0 FGADRP COCCOCCC[NH2+][C@@H]1CCCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000514100002 503088285 /nfs/dbraw/zinc/08/82/85/503088285.db2.gz SKBOSXXRPRDNAY-FDFHNCONSA-N 2 0 360.542 3.320 20 0 FGADRP Cc1ccc2c(c1)[C@@H](NC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)CCC2 ZINC000514120042 503092625 /nfs/dbraw/zinc/09/26/25/503092625.db2.gz DCLVJHKRUYIZPY-NRFANRHFSA-N 2 0 374.573 3.287 20 0 FGADRP C[C@H]1C[C@H](CCNC(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)C[NH+]1Cc1ccccc1 ZINC000510326656 503092851 /nfs/dbraw/zinc/09/28/51/503092851.db2.gz ZCTVTVVIRJDRJX-YXYSEUPNSA-N 2 0 372.557 3.069 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N1CCCC12CC[NH+](C)CC2)CC(C)C ZINC000510331062 503093416 /nfs/dbraw/zinc/09/34/16/503093416.db2.gz IPLLCOUPIMMGST-SFHVURJKSA-N 2 0 352.567 3.013 20 0 FGADRP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000498054560 503097001 /nfs/dbraw/zinc/09/70/01/503097001.db2.gz PDGAJDRWHRGENZ-GHTZIAJQSA-N 2 0 357.542 3.087 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)NCC(C)(C)[NH+]1CCCCC1)c1ccco1 ZINC000514153360 503100467 /nfs/dbraw/zinc/10/04/67/503100467.db2.gz FVCYGOLXDPJIRT-KRWDZBQOSA-N 2 0 364.534 3.226 20 0 FGADRP C[C@@H](CNC(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1)[NH+]1CCC(C)CC1 ZINC000514206297 503112302 /nfs/dbraw/zinc/11/23/02/503112302.db2.gz NPMYYGVTBIETJU-PZJWPPBQSA-N 2 0 372.557 3.243 20 0 FGADRP CC[C@H]([NH2+]Cc1cccc(OCCN2CCOCC2)c1)c1ccc(F)cn1 ZINC000490159806 503119588 /nfs/dbraw/zinc/11/95/88/503119588.db2.gz ZPEVZFMSNXWBBU-FQEVSTJZSA-N 2 0 373.472 3.173 20 0 FGADRP CC[N@@H+]1C[C@@H](C)N(C(=O)NC2CC[NH+](Cc3ccccc3C)CC2)C[C@H]1C ZINC000498229281 503136610 /nfs/dbraw/zinc/13/66/10/503136610.db2.gz VRXWGLINKSZJOO-RTBURBONSA-N 2 0 372.557 3.084 20 0 FGADRP CCc1ccc([C@@H](CNC(=O)N2CC[NH+](C3CCCC3)CC2)[NH+](C)C)cc1 ZINC000514564598 503137800 /nfs/dbraw/zinc/13/78/00/503137800.db2.gz JEBFVNNWKNCLGC-OAQYLSRUSA-N 2 0 372.557 3.122 20 0 FGADRP CC[NH+](CC)[C@H](CNC(=O)N[C@H](C)C1=CC[N@H+](C)CC1)c1ccccc1 ZINC000510542728 503138964 /nfs/dbraw/zinc/13/89/64/503138964.db2.gz BOQJHFOLICKPHS-YLJYHZDGSA-N 2 0 358.530 3.019 20 0 FGADRP C[C@@H](CCc1c(F)cccc1F)[NH2+]Cc1ccnc(OCC[NH+](C)C)c1 ZINC000510701759 503175740 /nfs/dbraw/zinc/17/57/40/503175740.db2.gz INZZFQDTDGDVLL-HNNXBMFYSA-N 2 0 363.452 3.411 20 0 FGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@H](C)CCc2c(F)cccc2F)CC1 ZINC000510721849 503178939 /nfs/dbraw/zinc/17/89/39/503178939.db2.gz OHPOMPJJJFJEDL-DLBZAZTESA-N 2 0 353.501 3.149 20 0 FGADRP CSC1(C[NH2+][C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC[NH+](C)CC1 ZINC000514761935 503186910 /nfs/dbraw/zinc/18/69/10/503186910.db2.gz PJEFMDVDVSXONX-AZUAARDMSA-N 3 0 361.599 3.314 20 0 FGADRP CCC[N@H+](CC)C[C@@H](C)NC(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000514764774 503187450 /nfs/dbraw/zinc/18/74/50/503187450.db2.gz GQCANDHXEMNFBS-GOSISDBHSA-N 2 0 360.546 3.071 20 0 FGADRP Cc1nccn1CCC[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000510980991 503229207 /nfs/dbraw/zinc/22/92/07/503229207.db2.gz RGRTXMSXHGGRQZ-YPAWHYETSA-N 2 0 352.526 3.472 20 0 FGADRP Cc1cc2occ(CC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)c2cc1C ZINC000502573222 503229765 /nfs/dbraw/zinc/22/97/65/503229765.db2.gz SPHDRJRMSIZDEX-UHFFFAOYSA-N 2 0 373.541 3.324 20 0 FGADRP Cc1nn(-c2ccc(Br)cc2)c(C)c1C[NH2+][C@H](C)C[C@@H](C)[NH3+] ZINC000514937947 503231619 /nfs/dbraw/zinc/23/16/19/503231619.db2.gz JFSRBBDBBCEYIR-VXGBXAGGSA-N 2 0 365.319 3.467 20 0 FGADRP C[C@@H]1CCC[N@H+](CCNC(=O)N2CCC(CCC[NH+]3CCCC3)CC2)C1 ZINC000502633277 503242441 /nfs/dbraw/zinc/24/24/41/503242441.db2.gz XTCJWWPJNFZBRQ-LJQANCHMSA-N 2 0 364.578 3.016 20 0 FGADRP C[C@@H]1C[N@H+](CCc2ccc3ccccc3c2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000490962962 503252861 /nfs/dbraw/zinc/25/28/61/503252861.db2.gz WWQPTYKXKNUUGZ-AUSIDOKSSA-N 2 0 351.538 3.340 20 0 FGADRP COc1ccc([C@H]([NH2+]CC2CC[NH+](CCO)CC2)c2ccc(F)cc2)cc1 ZINC000491041417 503264716 /nfs/dbraw/zinc/26/47/16/503264716.db2.gz UPYFSDCYFAQAHH-JOCHJYFZSA-N 2 0 372.484 3.218 20 0 FGADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)NCC[N@H+](C)C1CCCC1)c1ccccc1 ZINC000502793398 503273570 /nfs/dbraw/zinc/27/35/70/503273570.db2.gz JNLGWSOIWAFPTL-QGZVFWFLSA-N 2 0 360.546 3.289 20 0 FGADRP COc1cccc(C[NH+]2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)c1OC(F)F ZINC000515139590 503279435 /nfs/dbraw/zinc/27/94/35/503279435.db2.gz PGYACTRDCHLMPK-NVXWUHKLSA-N 2 0 370.440 3.015 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)NCC2([NH+](C)C)CCCCC2)C1 ZINC000502839465 503285332 /nfs/dbraw/zinc/28/53/32/503285332.db2.gz BEDYOGPOXMFIGG-KDURUIRLSA-N 2 0 366.594 3.308 20 0 FGADRP CC[NH+](CC)CCN(Cc1ccccc1)C(=O)N[C@@H](C)C1=CC[N@H+](C)CC1 ZINC000511271299 503290700 /nfs/dbraw/zinc/29/07/00/503290700.db2.gz VPJTXZUPCRDANU-IBGZPJMESA-N 2 0 372.557 3.190 20 0 FGADRP COc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000507431209 503298651 /nfs/dbraw/zinc/29/86/51/503298651.db2.gz VKSXDNDKMWQGRT-CQSZACIVSA-N 2 0 367.921 3.387 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)NCCC[NH2+]C2CCCCC2)C1 ZINC000502891026 503300139 /nfs/dbraw/zinc/30/01/39/503300139.db2.gz DJHFIYOWDSUXIE-KDURUIRLSA-N 2 0 366.594 3.356 20 0 FGADRP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000502892899 503300984 /nfs/dbraw/zinc/30/09/84/503300984.db2.gz NOEIEFQKXPBSBX-SFHVURJKSA-N 2 0 352.567 3.205 20 0 FGADRP Cc1cccc(NCC[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)n1 ZINC000507464383 503303091 /nfs/dbraw/zinc/30/30/91/503303091.db2.gz XJSUNZIUIIRRQA-PWRODBHTSA-N 2 0 350.510 3.302 20 0 FGADRP Clc1cc(C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)cc2c1OCCCO2 ZINC000515300305 503309667 /nfs/dbraw/zinc/30/96/67/503309667.db2.gz OCOKMCFHIPYJEB-INIZCTEOSA-N 2 0 350.890 3.323 20 0 FGADRP C[C@@H]1C[C@H](CCNC(=O)NCCC[NH+]2CCCC2)C[N@@H+]1Cc1ccccc1 ZINC000511437172 503321561 /nfs/dbraw/zinc/32/15/61/503321561.db2.gz IBQRUKRRIRCDOG-CTNGQTDRSA-N 2 0 372.557 3.072 20 0 FGADRP CC[C@H]1CCCC[N@@H+]1CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000499063429 503324350 /nfs/dbraw/zinc/32/43/50/503324350.db2.gz KZSNBVHWOBIAPD-IBGZPJMESA-N 2 0 361.555 3.438 20 0 FGADRP CC(C)(C)NC(=O)C[NH+]1CCC(C[NH2+]C[C@@H]2C[C@@H]2c2ccccc2)CC1 ZINC000503052345 503336223 /nfs/dbraw/zinc/33/62/23/503336223.db2.gz ONORQCWLOFYYBG-VQTJNVASSA-N 2 0 357.542 3.006 20 0 FGADRP c1cc2c(cc1C[N@@H+]1CCC[C@H](c3nnc4n3CCCCC4)C1)C[NH2+]CC2 ZINC000515490779 503348808 /nfs/dbraw/zinc/34/88/08/503348808.db2.gz SEXMLOLHIGBNAE-IBGZPJMESA-N 2 0 365.525 3.030 20 0 FGADRP COCc1ccccc1/C=C(/C)C[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000511603630 503352932 /nfs/dbraw/zinc/35/29/32/503352932.db2.gz BPXSYMQLMLPYBT-AQWYQACHSA-N 2 0 358.526 3.204 20 0 FGADRP CCC[N@@H+]1CCC[C@H]1CNC(=O)N1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000511921438 503416947 /nfs/dbraw/zinc/41/69/47/503416947.db2.gz GUNXHDDRHJONMW-AABGKKOBSA-N 2 0 364.578 3.157 20 0 FGADRP CCn1cc(C(=O)N(CC[NH+](C)C)C[C@H]2CCC[N@@H+]2CC)c2ccccc21 ZINC000499526531 503425874 /nfs/dbraw/zinc/42/58/74/503425874.db2.gz JERLYSGZABJDCC-GOSISDBHSA-N 2 0 370.541 3.149 20 0 FGADRP C[C@H]1CCCC[N@@H+]1CCCC[NH2+]C[C@H](O)COc1ccccc1Cl ZINC000516048189 503436823 /nfs/dbraw/zinc/43/68/23/503436823.db2.gz FKRWVTCGNKCWFW-IRXDYDNUSA-N 2 0 354.922 3.324 20 0 FGADRP CC[NH+]1CCN(c2ccccc2C[N@@H+]2CCc3ccc(OC)cc3C2)CC1 ZINC000512050654 503444098 /nfs/dbraw/zinc/44/40/98/503444098.db2.gz DEFBOOABMZTBSP-UHFFFAOYSA-N 2 0 365.521 3.395 20 0 FGADRP CO[C@@H](c1ccccc1)[C@H](C)[NH2+]CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000493910057 503457279 /nfs/dbraw/zinc/45/72/79/503457279.db2.gz YJLBXQAAODKZQM-NZQKXSOJSA-N 2 0 367.537 3.170 20 0 FGADRP C[C@H]1CCC[C@](CNC(=O)N2CCC(C[NH+]3CCCC3)CC2)([NH+](C)C)C1 ZINC000516154193 503457280 /nfs/dbraw/zinc/45/72/80/503457280.db2.gz KHOOJMXYOFSDAJ-RXVVDRJESA-N 2 0 364.578 3.014 20 0 FGADRP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N[C@@H](C)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000493940652 503462210 /nfs/dbraw/zinc/46/22/10/503462210.db2.gz JOWNEJGUQMQDTD-BJLQDIEVSA-N 2 0 360.546 3.097 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cccc2ccccc21 ZINC000508454029 503497011 /nfs/dbraw/zinc/49/70/11/503497011.db2.gz HIIBFSKABODIOX-LJQANCHMSA-N 2 0 353.510 3.328 20 0 FGADRP C[C@@H]([NH2+]Cc1ccc2c(c1)oc(=O)n2C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000512247389 503497413 /nfs/dbraw/zinc/49/74/13/503497413.db2.gz YPKBKVVUYOMAFX-VQIMIIECSA-N 2 0 365.477 3.132 20 0 FGADRP C[N@H+](CCC[NH+]1CCCC1)CCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000499905213 503507807 /nfs/dbraw/zinc/50/78/07/503507807.db2.gz AOWFFDZLWSLQIT-UHFFFAOYSA-N 2 0 357.420 3.452 20 0 FGADRP C[C@@H]1C[C@@H](CC[NH2+][C@H](C(N)=O)c2ccc(F)cc2)C[N@@H+]1Cc1ccccc1 ZINC000512289939 503510708 /nfs/dbraw/zinc/51/07/08/503510708.db2.gz QUSNGGLTQGBTOG-BLIXFSHQSA-N 2 0 369.484 3.242 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)[C@@H]1CCC[NH+]1C1CC1 ZINC000494247894 503512233 /nfs/dbraw/zinc/51/22/33/503512233.db2.gz NGFZWAUARMPACK-UTKZUKDTSA-N 2 0 355.526 3.304 20 0 FGADRP Cc1ccc(-c2noc(CCC[N@@H+]3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)n2)cc1F ZINC000516570879 503539773 /nfs/dbraw/zinc/53/97/73/503539773.db2.gz ISCZWVHADFVSCG-QZTJIDSGSA-N 2 0 372.488 3.438 20 0 FGADRP C[C@@H]([NH2+]CC(C)(C)N1C[C@@H](C)O[C@@H](C)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508702657 503546992 /nfs/dbraw/zinc/54/69/92/503546992.db2.gz WEPCCNRESVAODB-XAPVIXHLSA-N 2 0 373.585 3.374 20 0 FGADRP COc1ccc2c(c1)OC[C@H]([NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc3ccccc3)C1)C2 ZINC000508718617 503550206 /nfs/dbraw/zinc/55/02/06/503550206.db2.gz OAYQZDJIDHIINS-IOMROCGXSA-N 2 0 366.505 3.499 20 0 FGADRP CN1CCN(c2cc[nH+]cc2NC(=O)Cc2csc3ccccc23)CC1 ZINC000516624393 503553561 /nfs/dbraw/zinc/55/35/61/503553561.db2.gz VPYXCJZGKWVFHZ-UHFFFAOYSA-N 2 0 366.490 3.229 20 0 FGADRP C[N@H+](CCOc1cccc(C[NH2+]Cc2cncc(F)c2)c1)C1CCOCC1 ZINC000494614932 503575180 /nfs/dbraw/zinc/57/51/80/503575180.db2.gz AZQJPQLMHDTLFE-UHFFFAOYSA-N 2 0 373.472 3.000 20 0 FGADRP C[NH+](C)CC1CC[NH+]([C@H]2CCN(c3ccc(C(F)(F)F)cc3)C2=O)CC1 ZINC000500232088 503583944 /nfs/dbraw/zinc/58/39/44/503583944.db2.gz RTISCPFOSROCRQ-KRWDZBQOSA-N 2 0 369.431 3.084 20 0 FGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC[C@@H]1C[C@@H](C)[NH+](Cc2ccccc2)C1 ZINC000512578762 503589109 /nfs/dbraw/zinc/58/91/09/503589109.db2.gz RYUAGXGJRYBKOP-HMXCVIKNSA-N 2 0 357.542 3.278 20 0 FGADRP CC(C)[NH+]1CCC(NC(=O)N2C[C@@H](C)[N@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000500253429 503589661 /nfs/dbraw/zinc/58/96/61/503589661.db2.gz YRYRIWOEJZFDFZ-RTBURBONSA-N 2 0 372.557 3.164 20 0 FGADRP CC[N@@H+]1CC[C@H]([NH+](C)CCOc2ccccc2Br)[C@H](C)C1 ZINC000508890674 503590016 /nfs/dbraw/zinc/59/00/16/503590016.db2.gz KCFWNYCJODIBAD-ZBFHGGJFSA-N 2 0 355.320 3.490 20 0 FGADRP CC(=O)NCC[C@@H]1CCC[NH+](CC(C)(C)C[N@H+](C)Cc2ccccc2)C1 ZINC000516814403 503592248 /nfs/dbraw/zinc/59/22/48/503592248.db2.gz AOYSHOSKOQVYQF-NRFANRHFSA-N 2 0 359.558 3.383 20 0 FGADRP C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000516860849 503603216 /nfs/dbraw/zinc/60/32/16/503603216.db2.gz SCRGJYSYBDUBFG-FQEVSTJZSA-N 2 0 372.557 3.071 20 0 FGADRP CC[NH+](CC)CCOC1CC[NH+](Cc2ccccc2-c2ccnn2C)CC1 ZINC000508975749 503611295 /nfs/dbraw/zinc/61/12/95/503611295.db2.gz FWTDBQXEJPVYGE-UHFFFAOYSA-N 2 0 370.541 3.410 20 0 FGADRP CC[NH+]1CCC(C[NH2+]C[C@@H](O)CO[C@H](C)c2ccc(Cl)cc2)CC1 ZINC000517025413 503646816 /nfs/dbraw/zinc/64/68/16/503646816.db2.gz RFYCULDSNPXWIK-DNVCBOLYSA-N 2 0 354.922 3.100 20 0 FGADRP C[C@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@H+](C)C[C@@H]1CC=CCC1 ZINC000543173328 503659956 /nfs/dbraw/zinc/65/99/56/503659956.db2.gz QZFMTFZLLCPGRK-SFHLNBCPSA-N 2 0 355.526 3.054 20 0 FGADRP CC(C)[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)C1CC[NH+](C(C)C)CC1 ZINC000529700467 503663795 /nfs/dbraw/zinc/66/37/95/503663795.db2.gz GSJVSTNVMHAEOO-JOCHJYFZSA-N 2 0 371.569 3.476 20 0 FGADRP O=C(CC1CCCCCC1)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000495101044 503668650 /nfs/dbraw/zinc/66/86/50/503668650.db2.gz XFJVZTBAPYICEH-UHFFFAOYSA-N 2 0 358.530 3.070 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C/C=C/c1ccccc1F ZINC000495117936 503674315 /nfs/dbraw/zinc/67/43/15/503674315.db2.gz GTADMUMFTPUELV-VQFGERMISA-N 2 0 361.505 3.104 20 0 FGADRP C[C@H]([NH2+]CC1(C[NH+](C)C)CCCC1)[C@@H](c1ccccc1)N1CCOCC1 ZINC000546224879 503677547 /nfs/dbraw/zinc/67/75/47/503677547.db2.gz SFMUGXLFCSEVLO-FPOVZHCZSA-N 2 0 359.558 3.160 20 0 FGADRP Cc1ccc(NC(=O)CC[NH2+]CC[C@H](C)[N@H+](C)Cc2ccccc2)nc1 ZINC000517231265 503686138 /nfs/dbraw/zinc/68/61/38/503686138.db2.gz YNIMEMZHEQMHNV-SFHVURJKSA-N 2 0 354.498 3.219 20 0 FGADRP c1ccc([C@@H]2CCC[NH+]2CCOCC[N@@H+]2CCC[C@H]2c2ccccn2)nc1 ZINC000533025863 503704881 /nfs/dbraw/zinc/70/48/81/503704881.db2.gz QYUIRDSHVUXGJI-VXKWHMMOSA-N 2 0 366.509 3.467 20 0 FGADRP CC(C)[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000529802857 503705605 /nfs/dbraw/zinc/70/56/05/503705605.db2.gz IIJCQMIAUQXTBT-NRFANRHFSA-N 2 0 357.542 3.087 20 0 FGADRP CC[NH+](CC)CCC[NH2+][C@@H]1CCCC[C@@H](N2C(=O)c3ccccc3C2=O)C1 ZINC000533090560 503728129 /nfs/dbraw/zinc/72/81/29/503728129.db2.gz HOTFEUHVHHOGRF-QZTJIDSGSA-N 2 0 371.525 3.305 20 0 FGADRP Cn1c2ccc(C[NH2+]C[C@H]3CC[N@H+](Cc4ccccc4)C3)cc2sc1=O ZINC000527238966 503734359 /nfs/dbraw/zinc/73/43/59/503734359.db2.gz WKLHCAMFVXSTLJ-GOSISDBHSA-N 2 0 367.518 3.212 20 0 FGADRP C[C@@H](CCC(F)(F)F)[NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000543401656 503755484 /nfs/dbraw/zinc/75/54/84/503755484.db2.gz ZSEOVGWGQOJUCR-YOEHRIQHSA-N 2 0 371.447 3.205 20 0 FGADRP CCc1ccc([C@@H](CN2CCOCC2)[NH2+]CCC2CC[NH+](CC)CC2)cc1 ZINC000543403078 503756225 /nfs/dbraw/zinc/75/62/25/503756225.db2.gz RMGTYHZKNXGVTJ-HSZRJFAPSA-N 2 0 373.585 3.334 20 0 FGADRP Cc1ncc([C@H](C)[NH2+]CCc2ccc(OCC[NH+]3CCCC3)cc2)c(C)n1 ZINC000540394955 503757882 /nfs/dbraw/zinc/75/78/82/503757882.db2.gz LKVWGCVGJSWBEG-KRWDZBQOSA-N 2 0 368.525 3.461 20 0 FGADRP Cc1ccc([C@H](C[NH2+]Cc2cn(-c3cc[nH+]cc3)nc2C)N2CCCC2)o1 ZINC000543413311 503760829 /nfs/dbraw/zinc/76/08/29/503760829.db2.gz FSLQJNHBNLYLBN-FQEVSTJZSA-N 2 0 365.481 3.404 20 0 FGADRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCC2([NH+](C)C)CCCCC2)C1 ZINC000517590924 503780883 /nfs/dbraw/zinc/78/08/83/503780883.db2.gz DMHGELNVRCBKAS-QGZVFWFLSA-N 2 0 352.567 3.061 20 0 FGADRP CC1CCN(CC[NH2+][C@@H]2CC3(CC[NH+](C)CC3)Oc3ccccc32)CC1 ZINC000540474983 503781770 /nfs/dbraw/zinc/78/17/70/503781770.db2.gz IWLSJTYZGGLLEQ-HXUWFJFHSA-N 2 0 357.542 3.296 20 0 FGADRP Cc1cccc(NCC[NH2+][C@H]2CC3(CC[NH+](C)CC3)Oc3ccccc32)n1 ZINC000540495397 503792337 /nfs/dbraw/zinc/79/23/37/503792337.db2.gz XQHPLOOQTLNNDF-IBGZPJMESA-N 2 0 366.509 3.380 20 0 FGADRP O=C(NC[C@@H]1CC[N@@H+]1C1CCCC1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000530026495 503799601 /nfs/dbraw/zinc/79/96/01/503799601.db2.gz JEYFMXZGNAGJEG-NRFANRHFSA-N 2 0 355.526 3.419 20 0 FGADRP Cc1ccc(OC[C@@H](O)C[NH2+]C2CC[NH+](C3CCCCC3)CC2)c(C)c1 ZINC000517732422 503819568 /nfs/dbraw/zinc/81/95/68/503819568.db2.gz GDDBLGDUUHULEN-NRFANRHFSA-N 2 0 360.542 3.430 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+][C@@H](Cc1ccccc1)C(N)=O ZINC000543659275 503844490 /nfs/dbraw/zinc/84/44/90/503844490.db2.gz ZKSRRRQYIQXATD-GCJKJVERSA-N 2 0 365.521 3.247 20 0 FGADRP Cc1c[nH+]ccc1N1CCC(C(=O)NC[C@@H]2CCCC[N@H+]2CC(C)C)CC1 ZINC000533506583 503868547 /nfs/dbraw/zinc/86/85/47/503868547.db2.gz ZOOSZTINAFWIPC-FQEVSTJZSA-N 2 0 372.557 3.233 20 0 FGADRP Cc1c[nH+]ccc1N1CCC(C(=O)NC[C@H]2CCCC[N@H+]2CC(C)C)CC1 ZINC000533506584 503868649 /nfs/dbraw/zinc/86/86/49/503868649.db2.gz ZOOSZTINAFWIPC-HXUWFJFHSA-N 2 0 372.557 3.233 20 0 FGADRP CC[C@H]([NH2+]CC(=O)N1CCC[N@H+](Cc2ccccc2C)CC1)C(C)(C)C ZINC000537291763 503870516 /nfs/dbraw/zinc/87/05/16/503870516.db2.gz WXRFKXUMMYAPNV-FQEVSTJZSA-N 2 0 359.558 3.444 20 0 FGADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]CC/C=C\c1ccc(Br)cc1 ZINC000530214922 503881253 /nfs/dbraw/zinc/88/12/53/503881253.db2.gz YXRMJUGZQBOTTQ-XWTXVHISSA-N 2 0 353.304 3.194 20 0 FGADRP CC[NH+](CC)Cc1cccc(CNC(=O)NC[C@@H]2CC[N@@H+]2C2CCCC2)c1 ZINC000527667938 503885293 /nfs/dbraw/zinc/88/52/93/503885293.db2.gz WQTBNILXIWWABJ-NRFANRHFSA-N 2 0 372.557 3.345 20 0 FGADRP FC(F)(F)COc1ccc(C[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)cc1 ZINC000530243108 503890345 /nfs/dbraw/zinc/89/03/45/503890345.db2.gz WIRXSBVUQROOKW-SFHVURJKSA-N 2 0 372.431 3.218 20 0 FGADRP Cc1cc(C)c(NC(=O)[C@@H](C)[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)c(C)c1 ZINC000530243054 503890980 /nfs/dbraw/zinc/89/09/80/503890980.db2.gz VCOVCZVWZJYGCN-UYAOXDASSA-N 2 0 373.541 3.029 20 0 FGADRP Cc1nn(-c2ccccc2)c(C)c1C[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530248462 503894356 /nfs/dbraw/zinc/89/43/56/503894356.db2.gz KWIIVAYONYPGKO-NRFANRHFSA-N 2 0 368.525 3.080 20 0 FGADRP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000518081833 503904980 /nfs/dbraw/zinc/90/49/80/503904980.db2.gz YZKXMFCFSWYIDM-WOJBJXKFSA-N 2 0 372.557 3.167 20 0 FGADRP Cc1ccc(OC[C@H](O)C[NH2+]C2CCC([NH+]3CCC(C)CC3)CC2)cc1 ZINC000518171140 503920319 /nfs/dbraw/zinc/92/03/19/503920319.db2.gz RBNWJSAGHYQZFQ-XVAXZDLZSA-N 2 0 360.542 3.367 20 0 FGADRP CC[NH+](CC)CCCC1CC[NH+](CC(=O)N2CCc3ccccc32)CC1 ZINC000543876182 503925283 /nfs/dbraw/zinc/92/52/83/503925283.db2.gz SQCQHAZJRCSMOT-UHFFFAOYSA-N 2 0 357.542 3.410 20 0 FGADRP CN(CCC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1)c1cc[nH+]cc1 ZINC000540927290 503942405 /nfs/dbraw/zinc/94/24/05/503942405.db2.gz UTOOIOINVFAXRA-IBGZPJMESA-N 2 0 358.530 3.023 20 0 FGADRP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)NC[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000518402561 503974937 /nfs/dbraw/zinc/97/49/37/503974937.db2.gz HDXUKTPASHZSQY-WSTZPKSXSA-N 2 0 374.573 3.345 20 0 FGADRP C[NH+](C)CCN(C(=O)[C@@H]1CCC[N@H+](Cc2cccnc2)C1)C1CCCCC1 ZINC000518428465 503981564 /nfs/dbraw/zinc/98/15/64/503981564.db2.gz SNBQSBQBPATXKG-HXUWFJFHSA-N 2 0 372.557 3.017 20 0 FGADRP COc1ccc2nc(C[NH+]3CCC([C@@H]4C[C@@H]([NH3+])CCO4)CC3)sc2c1 ZINC000518492092 504000366 /nfs/dbraw/zinc/00/03/66/504000366.db2.gz FKQMRBBRQOMPMF-YOEHRIQHSA-N 2 0 361.511 3.023 20 0 FGADRP Cc1cc(Br)cn2c(C[NH2+]CC3(C)CC[NH+](C)CC3)cnc12 ZINC000544180071 504037149 /nfs/dbraw/zinc/03/71/49/504037149.db2.gz ACSJZWDHNLQOKU-UHFFFAOYSA-N 2 0 365.319 3.227 20 0 FGADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H](O)COc2ccc3ccccc3c2)C[C@@H]1C ZINC000530662922 504043373 /nfs/dbraw/zinc/04/33/73/504043373.db2.gz RAYZYMXYJMXKDJ-YYWHXJBOSA-N 2 0 356.510 3.384 20 0 FGADRP CN(CC[N@H+](C)Cc1cc(Cl)cc2cccnc21)C1CC[NH+](C)CC1 ZINC000534216680 504074157 /nfs/dbraw/zinc/07/41/57/504074157.db2.gz ATKSKQLMSMLWHS-UHFFFAOYSA-N 2 0 360.933 3.346 20 0 FGADRP COc1ccccc1[C@@H](CO)[NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000537982089 504102303 /nfs/dbraw/zinc/10/23/03/504102303.db2.gz JXOAFEYXHACWAG-OXJNMPFZSA-N 2 0 358.482 3.020 20 0 FGADRP Cc1cc2ncn(C[C@@H](O)C[NH2+]CCCC[NH+]3CCC(C)CC3)c2cc1C ZINC000518963565 504104121 /nfs/dbraw/zinc/10/41/21/504104121.db2.gz FVXZWYFPUAQEEM-FQEVSTJZSA-N 2 0 372.557 3.116 20 0 FGADRP C[C@H]1C[C@@H](N(C)C(=O)[C@]23C[NH2+]C[C@@H]2CCCC3)CC[N@@H+]1Cc1ccccc1 ZINC000518985193 504111262 /nfs/dbraw/zinc/11/12/62/504111262.db2.gz QNCKBHWHNVROOZ-XHRGMSINSA-N 2 0 369.553 3.278 20 0 FGADRP CN(CC[N@H+](C)C1CC1)C(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000547453848 504111647 /nfs/dbraw/zinc/11/16/47/504111647.db2.gz JLBIGTIGXPEDCM-UHFFFAOYSA-N 2 0 374.529 3.109 20 0 FGADRP CC[NH+](CC)C[C@@H](C)NC(=O)NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000519078357 504134133 /nfs/dbraw/zinc/13/41/33/504134133.db2.gz OMJVULDRONTKNV-RTBURBONSA-N 2 0 374.573 3.448 20 0 FGADRP Cc1cc(Cl)cc(C(=O)N2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)c1 ZINC000534494118 504156672 /nfs/dbraw/zinc/15/66/72/504156672.db2.gz NDDRGPRRSUMFAE-DFNIBXOVSA-N 2 0 361.917 3.031 20 0 FGADRP CCC[C@@H]([NH2+]CCN1CC[NH+](Cc2ccccc2)CC1)c1cccnc1 ZINC000544579348 504180785 /nfs/dbraw/zinc/18/07/85/504180785.db2.gz RLLHGPJMXRTZBC-JOCHJYFZSA-N 2 0 352.526 3.330 20 0 FGADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)[C@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 ZINC000531118835 504195752 /nfs/dbraw/zinc/19/57/52/504195752.db2.gz COHCLOYXGMNYRF-IRXDYDNUSA-N 2 0 372.340 3.049 20 0 FGADRP CCC[C@@H](C)C[NH+]1CCC(C(=O)NCC[N@H+](C)Cc2ccccc2)CC1 ZINC000538306292 504199179 /nfs/dbraw/zinc/19/91/79/504199179.db2.gz NUBHBOUPTLTQSO-LJQANCHMSA-N 2 0 359.558 3.383 20 0 FGADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)N2CC[C@H]([NH+]3CCCCC3)C2)C1 ZINC000519356822 504201016 /nfs/dbraw/zinc/20/10/16/504201016.db2.gz XEBSXIABUMKZFM-GIVPXCGWSA-N 2 0 370.541 3.092 20 0 FGADRP Cc1cc(NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)n(C2CC[NH+](C)CC2)n1 ZINC000531190524 504220502 /nfs/dbraw/zinc/22/05/02/504220502.db2.gz HRGTTYNILNNVEE-KRWDZBQOSA-N 2 0 373.545 3.051 20 0 FGADRP CCO[C@@H]1C[C@@H]([NH2+][C@@H](CN2CC[NH+](C)CC2)c2ccccc2)C12CCCC2 ZINC000538396724 504234265 /nfs/dbraw/zinc/23/42/65/504234265.db2.gz WMIUVPFFARCVFG-BHDDXSALSA-N 2 0 371.569 3.303 20 0 FGADRP CN(CCC(=O)Nc1ccc(CC[NH+]2CCCC2)cc1)c1cc[nH+]cc1 ZINC000541858072 504279332 /nfs/dbraw/zinc/27/93/32/504279332.db2.gz FIQYLUZMTLCNIP-UHFFFAOYSA-N 2 0 352.482 3.185 20 0 FGADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H](O)COc2cccc3ccccc32)C[C@@H]1C ZINC000531378472 504284972 /nfs/dbraw/zinc/28/49/72/504284972.db2.gz NZIIFSAFXZCOGL-YSIASYRMSA-N 2 0 356.510 3.384 20 0 FGADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@H]1CCN(Cc2ccccc2)[C@H]1C ZINC000519669518 504295888 /nfs/dbraw/zinc/29/58/88/504295888.db2.gz UYPGWLJKJGWUQN-AVRDEDQJSA-N 2 0 361.493 3.328 20 0 FGADRP C[N@@H+]1CCC[C@@H](CC[NH2+]CCC(=O)Nc2cccc(Br)c2)C1 ZINC000519696867 504307240 /nfs/dbraw/zinc/30/72/40/504307240.db2.gz DRFGGEIEXXMEML-AWEZNQCLSA-N 2 0 368.319 3.099 20 0 FGADRP CCC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N1CC[C@H](C[NH+](C)CC)C1 ZINC000528703532 504339182 /nfs/dbraw/zinc/33/91/82/504339182.db2.gz PNJWEVURKAWRTD-YPAWHYETSA-N 2 0 371.569 3.335 20 0 FGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCc1cnn(C)c1C(F)(F)F ZINC000548160183 504353445 /nfs/dbraw/zinc/35/34/45/504353445.db2.gz JXAZUTAINOLDPS-RHSMWYFYSA-N 2 0 366.431 3.439 20 0 FGADRP COc1cccc(CN2CC[C@H](C[N@H+](C)CC3CC3)C2)c1OC(F)F ZINC000538752159 504359039 /nfs/dbraw/zinc/35/90/39/504359039.db2.gz MNVVLJLTQIVMIX-OAHLLOKOSA-N 2 0 354.441 3.460 20 0 FGADRP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCC[NH+](C(C)(C)C)CC2)C1 ZINC000519923064 504383914 /nfs/dbraw/zinc/38/39/14/504383914.db2.gz GJVAATNUUOZKCK-KRWDZBQOSA-N 2 0 352.567 3.013 20 0 FGADRP C[C@@H]1C[C@H](N(C)C(=O)[C@@]23CCC[C@@H]2C[NH+](Cc2ccccc2)C3)CC[N@@H+]1C ZINC000542185194 504396479 /nfs/dbraw/zinc/39/64/79/504396479.db2.gz IQFXQFVTRBOXCU-KTDPBYDISA-N 2 0 369.553 3.230 20 0 FGADRP C[C@@H](CNC(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1)C[NH+]1CCCC1 ZINC000520069021 504406538 /nfs/dbraw/zinc/40/65/38/504406538.db2.gz ZSOCVOAZBFXRFY-PZJWPPBQSA-N 2 0 372.557 3.072 20 0 FGADRP C[C@@H]1C[C@@H](NC(=O)N2CCC[NH+](C(C)(C)C)CC2)C[N@@H+]1Cc1ccccc1 ZINC000531804756 504430729 /nfs/dbraw/zinc/43/07/29/504430729.db2.gz SKEPVQTWRMATBC-UYAOXDASSA-N 2 0 372.557 3.165 20 0 FGADRP C[NH+](C)CC[C@H](NC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1)C(C)(C)C ZINC000535426967 504433198 /nfs/dbraw/zinc/43/31/98/504433198.db2.gz HMRLSSATMACOPL-QYZOEREBSA-N 2 0 360.546 3.097 20 0 FGADRP C[N@H+](CCNC(=O)[C@H]1CCC[NH+](Cc2ccccc2)C1)Cc1ccccc1 ZINC000520229855 504441748 /nfs/dbraw/zinc/44/17/48/504441748.db2.gz SLUGJYAEYARIIV-QFIPXVFZSA-N 2 0 365.521 3.147 20 0 FGADRP Cc1nn(C)c(C)c1CCC[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000548481927 504461120 /nfs/dbraw/zinc/46/11/20/504461120.db2.gz SUUCIGFAXAWCHJ-UWJYYQICSA-N 2 0 354.542 3.470 20 0 FGADRP C[C@@H]([NH2+]CCC(=O)NCc1ccccc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000548483285 504461539 /nfs/dbraw/zinc/46/15/39/504461539.db2.gz WAGWAPPDUDMGKI-DENIHFKCSA-N 2 0 365.521 3.193 20 0 FGADRP C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+][C@@H](C)Cn1ccnc1 ZINC000531937862 504480982 /nfs/dbraw/zinc/48/09/82/504480982.db2.gz XJZVAXZAKJUTHX-OLZOCXBDSA-N 2 0 354.376 3.297 20 0 FGADRP c1cnc(N2CCC([NH2+]CC3([NH+]4CCCCC4)CCCCC3)CC2)cn1 ZINC000531947687 504483213 /nfs/dbraw/zinc/48/32/13/504483213.db2.gz GKXYBNXYXAGQFA-UHFFFAOYSA-N 2 0 357.546 3.224 20 0 FGADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1coc(C2CCCCC2)n1 ZINC000548604965 504491717 /nfs/dbraw/zinc/49/17/17/504491717.db2.gz CRFKJELHCNFEFS-UHFFFAOYSA-N 2 0 364.534 3.068 20 0 FGADRP Cc1ccccc1[C@@H](CN1CCOCC1)NC[C@H](C)C[NH+]1CCCCC1 ZINC000542478736 504506409 /nfs/dbraw/zinc/50/64/09/504506409.db2.gz OWXHLDUTDAEUMA-SIKLNZKXSA-N 2 0 359.558 3.080 20 0 FGADRP CC[NH+]1CCC([NH2+]CCc2ccc(OCC[NH+]3C[C@H](C)[C@@H](C)C3)cc2)CC1 ZINC000539294398 504521815 /nfs/dbraw/zinc/52/18/15/504521815.db2.gz CYVCTJWLJVSNHJ-PMACEKPBSA-N 3 0 373.585 3.270 20 0 FGADRP CC(C)[C@H](CNC(=O)NCc1ccccc1C[N@H+](C)C(C)C)[NH+]1CCCC1 ZINC000520614122 504540449 /nfs/dbraw/zinc/54/04/49/504540449.db2.gz SZVUNLSTQRJHSL-NRFANRHFSA-N 2 0 374.573 3.446 20 0 FGADRP CC[C@H](CN[C@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21)[NH+]1CCCC1 ZINC000539364921 504542337 /nfs/dbraw/zinc/54/23/37/504542337.db2.gz JHGWVCBSOUOHMT-QUCCMNQESA-N 2 0 357.542 3.439 20 0 FGADRP CN1CC[NH+](CC2(C)CCN(Cc3cc(Cl)ccc3F)CC2)CC1 ZINC000542689425 504576154 /nfs/dbraw/zinc/57/61/54/504576154.db2.gz DEMHUXULVIJGQA-UHFFFAOYSA-N 2 0 353.913 3.329 20 0 FGADRP CC(C)(C(=O)Nc1ncc(C2CC[NH2+]CC2)s1)[C@@H]([NH3+])c1ccccc1 ZINC000520771098 504578667 /nfs/dbraw/zinc/57/86/67/504578667.db2.gz PWKGVQTZVLOBLB-INIZCTEOSA-N 2 0 358.511 3.275 20 0 FGADRP CC(C)C[C@H]([NH2+][C@@H](C)c1ccc(Cl)c(F)c1)C(=O)NCC[NH+](C)C ZINC000539647074 504638321 /nfs/dbraw/zinc/63/83/21/504638321.db2.gz SKOOXCWOCJGWQW-GUYCJALGSA-N 2 0 357.901 3.222 20 0 FGADRP C[C@@H](CNC(=O)NCCCCC[NH+]1CCCCC1)[N@@H+]1CCC[C@H](C)C1 ZINC000521167214 504667076 /nfs/dbraw/zinc/66/70/76/504667076.db2.gz HCOICWPOUIJIML-OALUTQOASA-N 2 0 352.567 3.062 20 0 FGADRP C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)CC2CC[NH2+]CC2)cc1 ZINC000521231657 504688629 /nfs/dbraw/zinc/68/86/29/504688629.db2.gz ZLILGKBQUGCTIH-UHFFFAOYSA-N 2 0 365.521 3.421 20 0 FGADRP C[C@H]1C[N@H+](Cc2cccc(-c3ccncc3)c2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000539822806 504703938 /nfs/dbraw/zinc/70/39/38/504703938.db2.gz MWQYSVMZBDQOFT-WMZHIEFXSA-N 2 0 364.537 3.206 20 0 FGADRP CC[NH+](CC)CCN(Cc1ccccc1)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000521354832 504716661 /nfs/dbraw/zinc/71/66/61/504716661.db2.gz GSDZFFHUMHYEHM-FQEVSTJZSA-N 2 0 372.557 3.024 20 0 FGADRP CC[NH+]1CCN(Cc2ccc(C[NH2+][C@H](C)C3CC(F)(F)C3)cc2)CC1 ZINC000529533525 504717705 /nfs/dbraw/zinc/71/77/05/504717705.db2.gz QYQLCBIWVIFFNN-MRXNPFEDSA-N 2 0 351.485 3.348 20 0 FGADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H]1CCCc2c(Br)cccc21 ZINC000543083495 504718507 /nfs/dbraw/zinc/71/85/07/504718507.db2.gz OPXRWWYWHWOUGI-KDOFPFPSSA-N 2 0 366.347 3.052 20 0 FGADRP C[NH+](C)CCN(CC[NH+](C)C)Cc1ccc(-c2nc3ccccc3s2)o1 ZINC000521514038 504750937 /nfs/dbraw/zinc/75/09/37/504750937.db2.gz GOUFOJJHAPZALX-UHFFFAOYSA-N 2 0 372.538 3.482 20 0 FGADRP Cc1ccc([C@H](Cn2ccnc2)NC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)c(C)c1 ZINC000532754320 504752119 /nfs/dbraw/zinc/75/21/19/504752119.db2.gz VNKAHORFAIHJJG-NSHGMRRFSA-N 2 0 354.498 3.230 20 0 FGADRP CC(C)[NH+]1CCC(O)(C[NH2+]Cc2ccc(-c3ccncc3)cc2F)CC1 ZINC000532785538 504758322 /nfs/dbraw/zinc/75/83/22/504758322.db2.gz MFRHHKHYWJWJER-UHFFFAOYSA-N 2 0 357.473 3.213 20 0 FGADRP CC[N@H+](CCC1CC[NH+](CC(=O)NCc2ccccc2C)CC1)CC1CC1 ZINC000540050000 504765858 /nfs/dbraw/zinc/76/58/58/504765858.db2.gz VXECUUWRVWUYHH-UHFFFAOYSA-N 2 0 371.569 3.445 20 0 FGADRP CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000565037416 504777706 /nfs/dbraw/zinc/77/77/06/504777706.db2.gz RMZXPQKPGYPKAH-TYPHKJRUSA-N 2 0 370.541 3.067 20 0 FGADRP Cc1cc(C)n(-c2ccc(C[NH+]3CCC([C@H]4OCCC[C@H]4[NH3+])CC3)cc2)n1 ZINC000565044273 504779736 /nfs/dbraw/zinc/77/97/36/504779736.db2.gz QZROLYSUTHAGRG-FGZHOGPDSA-N 2 0 368.525 3.207 20 0 FGADRP CC(C)N(Cc1ccccc1)C(=O)[C@H](C)[N@@H+]1CC[C@@H](c2nccn2C)C1 ZINC000565154560 504809770 /nfs/dbraw/zinc/80/97/70/504809770.db2.gz BHTMIKMSRQLCAQ-PKOBYXMFSA-N 2 0 354.498 3.035 20 0 FGADRP CCc1nocc1C[NH2+]CCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000559272608 504816695 /nfs/dbraw/zinc/81/66/95/504816695.db2.gz CHVLOVXSOQKNAJ-UHFFFAOYSA-N 2 0 357.498 3.398 20 0 FGADRP C[NH+](C)CCc1ccc(C(=O)NCCC[N@H+](C)Cc2ccccc2)cc1 ZINC000553211102 504853528 /nfs/dbraw/zinc/85/35/28/504853528.db2.gz CZDIRIDLFURXEQ-UHFFFAOYSA-N 2 0 353.510 3.043 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)[C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)CC1 ZINC000565366315 504866839 /nfs/dbraw/zinc/86/68/39/504866839.db2.gz ARXIQYQRZYBOOC-WLRLJWMZSA-N 2 0 361.574 3.410 20 0 FGADRP CC[C@H](C(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2C(C)C)[N@H+](C)Cc1ccccc1 ZINC000549762657 504890896 /nfs/dbraw/zinc/89/08/96/504890896.db2.gz CFYRIOMFELFONJ-QHAWAJNXSA-N 2 0 357.542 3.371 20 0 FGADRP CN(c1ccccc1C[NH2+]C[C@@]1(O)CCCC1(C)C)C1CC[NH+](C)CC1 ZINC000549858523 504918300 /nfs/dbraw/zinc/91/83/00/504918300.db2.gz YXVATJAKKFRGMT-QFIPXVFZSA-N 2 0 359.558 3.248 20 0 FGADRP Cc1ccccc1C(C)(C)[NH2+]CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000549869206 504922506 /nfs/dbraw/zinc/92/25/06/504922506.db2.gz DSPCWEKDDJGVTE-FQEVSTJZSA-N 2 0 353.510 3.239 20 0 FGADRP C[C@@H]1C[C@@H](NC(=O)Nc2cccc3c2CC[NH2+]C3)C[N@@H+]1Cc1ccccc1 ZINC000562767653 504938703 /nfs/dbraw/zinc/93/87/03/504938703.db2.gz LGIBUMMJVGBOPZ-VQIMIIECSA-N 2 0 364.493 3.117 20 0 FGADRP O=C(NC[C@@H]1CCC[N@@H+]1CC1CCCCC1)Nc1ccc2c(c1)C[NH2+]C2 ZINC000562772910 504940590 /nfs/dbraw/zinc/94/05/90/504940590.db2.gz FLHZDEPHAIEGPG-FQEVSTJZSA-N 2 0 356.514 3.456 20 0 FGADRP CCNC(=O)C1(C[NH2+]C2CCC([N@H+](C)Cc3ccccc3)CC2)CCC1 ZINC000559898834 504946679 /nfs/dbraw/zinc/94/66/79/504946679.db2.gz ANHXFZWQVSVVDK-UHFFFAOYSA-N 2 0 357.542 3.326 20 0 FGADRP CC[C@H](Cn1cncn1)[NH2+]Cc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000559906827 504948302 /nfs/dbraw/zinc/94/83/02/504948302.db2.gz DVAFGDRAABOFMX-LJQANCHMSA-N 2 0 353.470 3.072 20 0 FGADRP COc1cc([C@H](C)[NH2+]Cc2ccc(OC3CC[NH+](C)CC3)cc2)ccn1 ZINC000559920353 504951535 /nfs/dbraw/zinc/95/15/35/504951535.db2.gz VXEABLLOARJCNP-INIZCTEOSA-N 2 0 355.482 3.414 20 0 FGADRP CC[NH+](CC)[C@@H](CNC(=O)NCC1CC[NH+](CC)CC1)c1ccsc1 ZINC000565668822 504954763 /nfs/dbraw/zinc/95/47/63/504954763.db2.gz DGQRMEMJUACTCM-SFHVURJKSA-N 2 0 366.575 3.162 20 0 FGADRP Cc1c[nH+]ccc1N1CCC(c2nc(-c3ccn4c[nH+]cc4c3)no2)CC1 ZINC000560040950 504976249 /nfs/dbraw/zinc/97/62/49/504976249.db2.gz AZBIOMWSAXFFIJ-UHFFFAOYSA-N 2 0 360.421 3.472 20 0 FGADRP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)C[C@H](O)CC(F)(F)F)C2)s1 ZINC000565917910 505026233 /nfs/dbraw/zinc/02/62/33/505026233.db2.gz STNUCDRWWKZETB-ZIAGYGMSSA-N 2 0 350.450 3.124 20 0 FGADRP CN(C)CC[NH+]1CCC(C[NH2+][C@H]2C[C@H](Oc3ccccc3)C2(C)C)CC1 ZINC000560246135 505028911 /nfs/dbraw/zinc/02/89/11/505028911.db2.gz MNLIJNKKWFKDKN-SFTDATJTSA-N 2 0 359.558 3.096 20 0 FGADRP C[C@H]([NH2+]C(C)(C)CNC(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1)c1ccccc1 ZINC000565940743 505033727 /nfs/dbraw/zinc/03/37/27/505033727.db2.gz QYOHFKWQQSZFRE-FXAWDEMLSA-N 2 0 372.557 3.147 20 0 FGADRP O=C(C[N@@H+]1CC[C@@H](CC2CC2)C1)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000550409619 505036369 /nfs/dbraw/zinc/03/63/69/505036369.db2.gz RNVXEADPDGWHLQ-IBGZPJMESA-N 2 0 373.566 3.296 20 0 FGADRP CCN1CCC([NH+]2CCC(C(=O)Nc3cc(F)cc(F)c3F)CC2)CC1 ZINC000565962279 505039946 /nfs/dbraw/zinc/03/99/46/505039946.db2.gz YZYJXXVAAWMISA-UHFFFAOYSA-N 2 0 369.431 3.239 20 0 FGADRP C[C@H]([NH2+]CCNc1ncc(C(F)(F)F)cc1Cl)[C@H]1CCC[NH2+]C1 ZINC000566062413 505069554 /nfs/dbraw/zinc/06/95/54/505069554.db2.gz FUUIJLVCENXJLX-QWRGUYRKSA-N 2 0 350.816 3.143 20 0 FGADRP Cc1ccnc([C@@H](C)[NH2+]CCCN2CC[N@H+](C)C[C@@H]2c2ccccc2)c1 ZINC000560514152 505110614 /nfs/dbraw/zinc/11/06/14/505110614.db2.gz SMTDRYINHVFMTB-DENIHFKCSA-N 2 0 352.526 3.419 20 0 FGADRP C[NH+](C)C[C@@H](NC(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+])c1ccc(Cl)cc1 ZINC000566197503 505110595 /nfs/dbraw/zinc/11/05/95/505110595.db2.gz GVRVAOHNYPTRNL-DRGBWMFJSA-N 2 0 363.933 3.213 20 0 FGADRP Cc1sccc1CN1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000560523811 505113706 /nfs/dbraw/zinc/11/37/06/505113706.db2.gz CNJKHPYDDNFGSM-OAQYLSRUSA-N 2 0 355.551 3.449 20 0 FGADRP O=C(CC[C@@H]1CC[NH2+]C1)N(CC[NH+]1CCCC1)Cc1ccc(Cl)cc1 ZINC000566250021 505123815 /nfs/dbraw/zinc/12/38/15/505123815.db2.gz AKOMXTRDGICXLP-QGZVFWFLSA-N 2 0 363.933 3.154 20 0 FGADRP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2CC(=O)N(C)C)C12CC3CC(CC(C3)C1)C2 ZINC000560584652 505134038 /nfs/dbraw/zinc/13/40/38/505134038.db2.gz LZQFSDKCCTUPHX-JGWHPDOHSA-N 2 0 373.585 3.265 20 0 FGADRP C[NH2+][C@H](CC(C)(C)C)C(=O)NC1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000566299185 505138102 /nfs/dbraw/zinc/13/81/02/505138102.db2.gz UHKBVUFLEAHURC-JENIJYKNSA-N 2 0 359.558 3.283 20 0 FGADRP Cc1ccc(C[NH+]2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)c(-c2ccnn2C)c1 ZINC000563462215 505146910 /nfs/dbraw/zinc/14/69/10/505146910.db2.gz RWAUBOWVJYHWML-DENIHFKCSA-N 2 0 368.525 3.114 20 0 FGADRP C[C@@H]1CN(C(=O)Nc2cccc(CC[NH+]3CCC(C)CC3)c2)C[C@@]1(C)C[NH3+] ZINC000563478852 505151538 /nfs/dbraw/zinc/15/15/38/505151538.db2.gz WCTGJBZISMQWGI-XMSQKQJNSA-N 2 0 372.557 3.410 20 0 FGADRP C[N@@H+]1CC[C@H](NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)C[C@H]1c1ccccc1 ZINC000551087646 505154881 /nfs/dbraw/zinc/15/48/81/505154881.db2.gz VNXVQLPEMFGLPP-GSPCLOLRSA-N 2 0 371.569 3.179 20 0 FGADRP COc1ccc2nc(C[NH2+]CC3(SC)CC[NH+](C)CC3)sc2c1 ZINC000557531516 505158426 /nfs/dbraw/zinc/15/84/26/505158426.db2.gz ZIYKVOJXJROFIZ-UHFFFAOYSA-N 2 0 351.541 3.222 20 0 FGADRP C[C@@H]1C[C@H](NC(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)CC[NH2+]1 ZINC000563561029 505176774 /nfs/dbraw/zinc/17/67/74/505176774.db2.gz JTJKRIUTKCOELX-YLJYHZDGSA-N 2 0 358.530 3.002 20 0 FGADRP CCN(CC[NH+]1CCCCCC1)C(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000554449091 505176829 /nfs/dbraw/zinc/17/68/29/505176829.db2.gz ACVHVCJDHDQKOK-FQEVSTJZSA-N 2 0 360.546 3.197 20 0 FGADRP C[NH+](C)Cc1ccc(CNC(=O)c2ccccc2CC2CC[NH2+]CC2)cc1 ZINC000566562394 505206686 /nfs/dbraw/zinc/20/66/86/505206686.db2.gz LFEDDKDOMHJWPR-UHFFFAOYSA-N 2 0 365.521 3.220 20 0 FGADRP CCCN(CCC[NH+](C)C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C ZINC000554622077 505225456 /nfs/dbraw/zinc/22/54/56/505225456.db2.gz MGMBBUPFTKVYHJ-UYAOXDASSA-N 2 0 360.546 3.023 20 0 FGADRP CC1(C)[C@H]([NH2+]C2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)C[C@H]1Oc1ccccc1 ZINC000551533759 505245751 /nfs/dbraw/zinc/24/57/51/505245751.db2.gz PGELDWJDSYKBNG-PLACYPQZSA-N 2 0 358.526 3.200 20 0 FGADRP CC(=O)N1C[C@@H]2CCC[C@H]([NH2+][C@H](C)[C@H]3CC[N@H+](Cc4ccccc4)C3)[C@H]2C1 ZINC000554741826 505253702 /nfs/dbraw/zinc/25/37/02/505253702.db2.gz PHFPGCWDYBMLSX-GLBNMMOUSA-N 2 0 369.553 3.134 20 0 FGADRP [NH3+][C@@H](CCC(=O)NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)c1ccccc1 ZINC000566727881 505256767 /nfs/dbraw/zinc/25/67/67/505256767.db2.gz QBJZUQXXOKHKNO-TYPHKJRUSA-N 2 0 369.484 3.115 20 0 FGADRP CC[NH+]1CCC(CNC(=O)NC[C@@H](c2ccc(C)cc2)[NH+]2CCCC2)CC1 ZINC000563861573 505260155 /nfs/dbraw/zinc/26/01/55/505260155.db2.gz MAMCJOMVBFYZQI-NRFANRHFSA-N 2 0 372.557 3.163 20 0 FGADRP CC(C)[NH+](CCCNC(=O)[C@@H]1C[NH2+]C[C@H]1c1ccc(Cl)cc1)C(C)C ZINC000566745345 505262257 /nfs/dbraw/zinc/26/22/57/505262257.db2.gz SBTQEHAHKURINQ-RBUKOAKNSA-N 2 0 365.949 3.268 20 0 FGADRP C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2C[NH2+]Cc3ccccc32)[C@H]1c1cccs1 ZINC000563955555 505287658 /nfs/dbraw/zinc/28/76/58/505287658.db2.gz KURLHIJFSBSCJB-POAQFYNOSA-N 2 0 369.534 3.134 20 0 FGADRP CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000566855171 505292513 /nfs/dbraw/zinc/29/25/13/505292513.db2.gz VKPRDYRVYLMEMI-LEWJYISDSA-N 2 0 369.553 3.135 20 0 FGADRP COc1ccc([C@H](C[NH3+])C[N@@H+]2CCC[C@@H](c3ncc4n3CCCC4)C2)cc1 ZINC000561279261 505302937 /nfs/dbraw/zinc/30/29/37/505302937.db2.gz NANSNWHYMWPCKG-RTBURBONSA-N 2 0 368.525 3.150 20 0 FGADRP CCOC(=O)CC(C)(C)CC[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000558083685 505303793 /nfs/dbraw/zinc/30/37/93/505303793.db2.gz KPLIMWOHNJJDLS-HDICACEKSA-N 2 0 368.562 3.177 20 0 FGADRP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]C[C@@H]2CCCSC2)CC1 ZINC000558118180 505313029 /nfs/dbraw/zinc/31/30/29/505313029.db2.gz KWESRBKTVUWJTL-HNNXBMFYSA-N 2 0 353.963 3.325 20 0 FGADRP COc1ccc([C@H](CN(C)C)[NH2+][C@H]2CN(Cc3ccccc3)C[C@H]2C)cc1 ZINC000551805563 505313168 /nfs/dbraw/zinc/31/31/68/505313168.db2.gz VFELRUHEKLPCLV-LEOXJPRUSA-N 2 0 367.537 3.408 20 0 FGADRP Cc1ccc(C)c([C@@H](C)[NH2+][C@@H](Cc2ccccc2)C(=O)NCC[NH+](C)C)c1 ZINC000558124604 505314102 /nfs/dbraw/zinc/31/41/02/505314102.db2.gz CWEYLYFSBANWMY-KNQAVFIVSA-N 2 0 367.537 3.243 20 0 FGADRP Cc1nc2ccccc2n1CCCCC[NH+]1CCN(C(=O)C2CC2)CC1 ZINC000566948504 505318949 /nfs/dbraw/zinc/31/89/49/505318949.db2.gz UUESEVAPXBSPIN-UHFFFAOYSA-N 2 0 354.498 3.069 20 0 FGADRP CSC1(C[NH2+][C@@H](C)CC(=O)Nc2ccc(C)cc2C)CC[NH+](C)CC1 ZINC000555000210 505324879 /nfs/dbraw/zinc/32/48/79/505324879.db2.gz NSMSIZUCWUSQKP-KRWDZBQOSA-N 2 0 363.571 3.438 20 0 FGADRP O=C(NC1CC[NH+](C2CCCC2)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000566983045 505330842 /nfs/dbraw/zinc/33/08/42/505330842.db2.gz VGPYPNGHMCBDJW-LJQANCHMSA-N 2 0 355.526 3.032 20 0 FGADRP O=C(NCCC[NH+]1CCCCC1)NC[C@@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000561508672 505363887 /nfs/dbraw/zinc/36/38/87/505363887.db2.gz HRRSUNLBWUUGCM-FQEVSTJZSA-N 2 0 364.578 3.206 20 0 FGADRP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)CCO[C@@H]3CCCCO3)C2)s1 ZINC000564294119 505374369 /nfs/dbraw/zinc/37/43/69/505374369.db2.gz WMQOGSIDKWGYOH-IEBWSBKVSA-N 2 0 352.544 3.353 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1cccc(OC(F)F)c1 ZINC000564319317 505383022 /nfs/dbraw/zinc/38/30/22/505383022.db2.gz HTZFSPLVOSSPPK-QGZVFWFLSA-N 2 0 355.473 3.136 20 0 FGADRP Cc1c[nH+]ccc1NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000555229029 505385227 /nfs/dbraw/zinc/38/52/27/505385227.db2.gz CDNIMLURZCWESH-FQEVSTJZSA-N 2 0 351.494 3.153 20 0 FGADRP C[C@@H]1CCC[C@@](CNC(=O)N2CCC[N@@H+](C3CCCC3)CC2)([NH+](C)C)C1 ZINC000558447280 505392809 /nfs/dbraw/zinc/39/28/09/505392809.db2.gz JLMVCWWMMOUGPK-WIYYLYMNSA-N 2 0 364.578 3.157 20 0 FGADRP C[C@@H](CCc1ccco1)[NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000567241579 505404836 /nfs/dbraw/zinc/40/48/36/505404836.db2.gz ZVRIFMWTZYYGCR-KRWDZBQOSA-N 2 0 369.509 3.088 20 0 FGADRP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCN(Cc3c(F)cccc3F)C2)[C@@H]2CCC[C@H]21 ZINC000552244947 505439895 /nfs/dbraw/zinc/43/98/95/505439895.db2.gz OCVLGVUCIWIDAZ-QMKUDKLTSA-N 2 0 363.496 3.392 20 0 FGADRP CC(C)[C@H](NC(=O)CN1CC[C@]2(C1)CCC[N@H+](C)C2)c1ccc(F)cc1 ZINC000555598290 505469306 /nfs/dbraw/zinc/46/93/06/505469306.db2.gz QAUVZTDTZYYSIS-LEWJYISDSA-N 2 0 361.505 3.057 20 0 FGADRP FC(F)(F)c1ccc(OCCC[NH2+]C2CC[NH+](CC3CC3)CC2)nc1 ZINC000558719381 505473840 /nfs/dbraw/zinc/47/38/40/505473840.db2.gz RMDMQTUZTVHZPM-UHFFFAOYSA-N 2 0 357.420 3.333 20 0 FGADRP CN(C(=O)N[C@@H](C[NH3+])c1ccc2ccccc2c1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000564716860 505501443 /nfs/dbraw/zinc/50/14/43/505501443.db2.gz LUBLHGWVCXEKRU-JKWVGCSGSA-N 2 0 366.509 3.106 20 0 FGADRP CC1(C)CC([NH2+]C[C@H](O)COc2cccc(C(F)(F)F)c2)CC(C)(C)[NH2+]1 ZINC000552494663 505502817 /nfs/dbraw/zinc/50/28/17/505502817.db2.gz AWUDZNHTBUAXCG-HNNXBMFYSA-N 2 0 374.447 3.344 20 0 FGADRP CC1CC[NH+](CC(=O)N2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)CC1 ZINC000552517505 505506915 /nfs/dbraw/zinc/50/69/15/505506915.db2.gz JCGHVCCUKDZQRY-UHFFFAOYSA-N 2 0 369.553 3.233 20 0 FGADRP COc1cc(F)c([C@@H](C)[NH2+]CC2(SC)CC[NH+](C)CC2)cc1OC ZINC000562099735 505519057 /nfs/dbraw/zinc/51/90/57/505519057.db2.gz IZSVBIAQLVTLEQ-CYBMUJFWSA-N 2 0 356.507 3.321 20 0 FGADRP CC(C)(C[NH2+]C[C@@H](O)Cc1ccccc1C(F)(F)F)C[NH+]1CCCC1 ZINC000567700762 505541059 /nfs/dbraw/zinc/54/10/59/505541059.db2.gz QPQHOAGNDFRIGH-INIZCTEOSA-N 2 0 358.448 3.320 20 0 FGADRP CC[C@H](C)[NH2+][C@@H](CNC(=O)NCC1([NH+](C)C)CCCCC1)c1ccco1 ZINC000562220931 505543190 /nfs/dbraw/zinc/54/31/90/505543190.db2.gz IPRJZRJMRKWZGM-IRXDYDNUSA-N 2 0 364.534 3.273 20 0 FGADRP CC[C@H](C)[NH2+][C@H](CNC(=O)NCC1([NH+](C)C)CCCCC1)c1ccco1 ZINC000562220929 505543276 /nfs/dbraw/zinc/54/32/76/505543276.db2.gz IPRJZRJMRKWZGM-DLBZAZTESA-N 2 0 364.534 3.273 20 0 FGADRP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@H+]2CCC[C@@H](C)[C@@H]2C)CC1 ZINC000562241333 505549284 /nfs/dbraw/zinc/54/92/84/505549284.db2.gz OZRZYPQPIXBAQS-QUCCMNQESA-N 2 0 357.542 3.150 20 0 FGADRP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@H+]2CCC[C@H](C)[C@H]2C)CC1 ZINC000562241331 505549695 /nfs/dbraw/zinc/54/96/95/505549695.db2.gz OZRZYPQPIXBAQS-AZUAARDMSA-N 2 0 357.542 3.150 20 0 FGADRP Cc1ccc(-c2noc(CCC[NH+]3CCC([C@H]4CC[NH2+]C4)CC3)n2)cc1F ZINC000567735953 505552388 /nfs/dbraw/zinc/55/23/88/505552388.db2.gz WKFNJASMDPPWIY-SFHVURJKSA-N 2 0 372.488 3.438 20 0 FGADRP CC[NH2+]CC1CC[NH+]([C@@H]2CCN(c3ccccc3C(F)(F)F)C2=O)CC1 ZINC000564989793 505565852 /nfs/dbraw/zinc/56/58/52/505565852.db2.gz BRFRTNPHEHMEDK-QGZVFWFLSA-N 2 0 369.431 3.132 20 0 FGADRP CC[NH+](CC)Cc1ccc(C(=O)N2CC[C@@H]([N@H+](C)Cc3ccccc3)C2)o1 ZINC000608165931 506447682 /nfs/dbraw/zinc/44/76/82/506447682.db2.gz SSYRWJCQZBBJGR-LJQANCHMSA-N 2 0 369.509 3.468 20 0 FGADRP Oc1ccc2c(c1)[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)CCC2 ZINC000582860930 506459790 /nfs/dbraw/zinc/45/97/90/506459790.db2.gz NCSATCJNKBHPBR-UNMCSNQZSA-N 2 0 352.478 3.126 20 0 FGADRP CSc1ccc([C@H](CNC(=O)C2CC[NH+](C(C)C)CC2)[NH+](C)C)cc1 ZINC000582927175 506493175 /nfs/dbraw/zinc/49/31/75/506493175.db2.gz USVWIDYZCRPJPS-IBGZPJMESA-N 2 0 363.571 3.248 20 0 FGADRP CCn1cc(C[NH2+]CC2(SC)CC[NH+](C)CC2)c(-c2ccccc2)n1 ZINC000603429342 506510197 /nfs/dbraw/zinc/51/01/97/506510197.db2.gz NXLVWWFMBROAIA-UHFFFAOYSA-N 2 0 358.555 3.487 20 0 FGADRP C[C@@H](CC(=O)N1CCCN(Cc2ccc(Cl)cc2)CC1)n1ccnc1 ZINC000583028241 506548698 /nfs/dbraw/zinc/54/86/98/506548698.db2.gz IQDOYBSMYDKVLX-INIZCTEOSA-N 2 0 360.889 3.222 20 0 FGADRP C[C@H]1CC[N@H+](CCNC(=O)c2ccccc2OCC[NH+]2CCCC[C@H]2C)C1 ZINC000608613740 506632784 /nfs/dbraw/zinc/63/27/84/506632784.db2.gz MHXUCFIMMORLQU-RBUKOAKNSA-N 2 0 373.541 3.011 20 0 FGADRP C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)NCC(C)(C)[NH+]2CCCCC2)C1 ZINC000608618410 506634250 /nfs/dbraw/zinc/63/42/50/506634250.db2.gz YKIJSDKCIJOKRW-FQEVSTJZSA-N 2 0 372.557 3.167 20 0 FGADRP CC[N@H+](C)[C@@H](C(=O)NC[C@H](c1cccc(OC)c1)[NH+](C)C)c1ccccc1 ZINC000589992636 506698516 /nfs/dbraw/zinc/69/85/16/506698516.db2.gz GOCFLARBEGGXLF-NHCUHLMSSA-N 2 0 369.509 3.107 20 0 FGADRP CCC[N@@H+]1CC[C@@H](CNC(=O)N[C@@H](C[NH+]2CCCCC2)c2ccccc2)C1 ZINC000604179910 506739493 /nfs/dbraw/zinc/73/94/93/506739493.db2.gz WNRQPIUSSRDSGZ-FPOVZHCZSA-N 2 0 372.557 3.245 20 0 FGADRP CCOC(=O)c1cccc(C[N@H+](CC)Cc2ccc(C[NH+](C)C)cc2)n1 ZINC000600162227 506815239 /nfs/dbraw/zinc/81/52/39/506815239.db2.gz WHFMZESLZGUIIR-UHFFFAOYSA-N 2 0 355.482 3.342 20 0 FGADRP Cc1ccc([C@H]([NH2+][C@@H]2CC[C@H](C[NH3+])C2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000583559033 506849055 /nfs/dbraw/zinc/84/90/55/506849055.db2.gz NHGKSPMAYFMSTO-SCWSEQNSSA-N 2 0 372.534 3.205 20 0 FGADRP C[NH+]1CCC([C@@H]2CCN(C(=O)[C@@H](C[NH+]3CCCC3)c3ccccc3)C2)CC1 ZINC000612999907 506858491 /nfs/dbraw/zinc/85/84/91/506858491.db2.gz UMTIBDYGSGOONC-YADHBBJMSA-N 2 0 369.553 3.056 20 0 FGADRP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H](c1ccc(OC)cc1)[NH+]1CCCCC1 ZINC000591095054 507111330 /nfs/dbraw/zinc/11/13/30/507111330.db2.gz UPIWBJZPLVPWJN-LEWJYISDSA-N 2 0 373.541 3.213 20 0 FGADRP CC(C)[C@H](C(=O)NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1)[NH+]1CCCCC1 ZINC000591136774 507129370 /nfs/dbraw/zinc/12/93/70/507129370.db2.gz ZKUUFZZPCXKOSF-VAMGGRTRSA-N 2 0 351.579 3.371 20 0 FGADRP Cc1cnc(CC[NH+]2CCC(CC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)c(C)c1 ZINC000584169967 507192326 /nfs/dbraw/zinc/19/23/26/507192326.db2.gz SRRBRWBLMOUQQJ-PMACEKPBSA-N 2 0 359.558 3.452 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)N[C@@H]1CCC[C@H]1[NH+](C)C ZINC000613660075 507203560 /nfs/dbraw/zinc/20/35/60/507203560.db2.gz HGPDOLNEHNRDDH-MISYRCLQSA-N 2 0 373.541 3.152 20 0 FGADRP CC[NH+](CC)Cc1cccc(C[NH2+][C@H]2CCN(c3ccccc3)C2=O)c1 ZINC000598032678 507227660 /nfs/dbraw/zinc/22/76/60/507227660.db2.gz PTPJFPSUJQLRFU-NRFANRHFSA-N 2 0 351.494 3.424 20 0 FGADRP C[C@H]([NH2+][C@H](CO)Cc1ccc(F)cc1)c1cccc(OCC[NH+](C)C)c1 ZINC000584248281 507235161 /nfs/dbraw/zinc/23/51/61/507235161.db2.gz JLAHXQPSYQONKD-JXFKEZNVSA-N 2 0 360.473 3.020 20 0 FGADRP CC[N@H+](CCNC(=O)c1ccccc1OCC[NH+]1CCCC[C@@H]1C)C1CC1 ZINC000591452518 507256314 /nfs/dbraw/zinc/25/63/14/507256314.db2.gz AJCUBNDPEXRPPP-SFHVURJKSA-N 2 0 373.541 3.154 20 0 FGADRP CC(C)[C@H](CNC(=O)NCCCC[N@@H+]1CCCC[C@@H]1C)[NH+]1CCCC1 ZINC000591559491 507291618 /nfs/dbraw/zinc/29/16/18/507291618.db2.gz SFVADDXASBHTBI-OALUTQOASA-N 2 0 352.567 3.061 20 0 FGADRP CSC1(C[NH2+]Cc2cncc(Br)c2C)CC[NH+](C)CC1 ZINC000594943476 507324217 /nfs/dbraw/zinc/32/42/17/507324217.db2.gz JIZHTQLWXOFYHN-UHFFFAOYSA-N 2 0 358.349 3.070 20 0 FGADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+]CC2CC[NH+](Cc3ccncc3)CC2)C[C@@H]1C ZINC000595069613 507377474 /nfs/dbraw/zinc/37/74/74/507377474.db2.gz ZWGPAXUPHWHVKV-DZFGPLHGSA-N 2 0 373.541 3.251 20 0 FGADRP Cc1ccccc1C[C@@H]([NH2+]Cc1ccncc1OCC[NH+](C)C)C1CC1 ZINC000584684137 507448532 /nfs/dbraw/zinc/44/85/32/507448532.db2.gz UXFNSXGKFPKRNK-OAQYLSRUSA-N 2 0 353.510 3.441 20 0 FGADRP CC[C@H](C(=O)N[C@H]1CC[NH+](C)[C@@H]1c1ccccc1)[N@H+](C)Cc1ccccc1 ZINC000584691740 507452411 /nfs/dbraw/zinc/45/24/11/507452411.db2.gz WDOLLBPXSBMECH-BHDDXSALSA-N 2 0 365.521 3.459 20 0 FGADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000606684341 507478342 /nfs/dbraw/zinc/47/83/42/507478342.db2.gz QVFXTFCSUJAHFQ-WOJBJXKFSA-N 2 0 364.578 3.301 20 0 FGADRP C[C@H](OC[C@H](O)C[NH2+]C1CC[NH+](C2CCC2)CC1)c1ccc(Cl)cc1 ZINC000584834549 507531774 /nfs/dbraw/zinc/53/17/74/507531774.db2.gz BHTZWARHGWTWLO-MGPUTAFESA-N 2 0 366.933 3.385 20 0 FGADRP CC[NH+](CC)CC1CC[NH+]([C@H]2CCN(c3ccc(Cl)cc3)C2=O)CC1 ZINC000606898032 507545868 /nfs/dbraw/zinc/54/58/68/507545868.db2.gz YFSKDHUNMTWSLH-IBGZPJMESA-N 2 0 363.933 3.499 20 0 FGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1c[nH]nc1-c1ccc(F)cc1 ZINC000584865920 507547196 /nfs/dbraw/zinc/54/71/96/507547196.db2.gz LJAHUADIJKPDSH-HXUWFJFHSA-N 2 0 373.520 3.064 20 0 FGADRP C[NH+]1CCC(N2CCC([NH2+]Cc3cscc3C(F)(F)F)CC2)CC1 ZINC000584868305 507547689 /nfs/dbraw/zinc/54/76/89/507547689.db2.gz YFAVWYBDHYLJAA-UHFFFAOYSA-N 2 0 361.477 3.415 20 0 FGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(Cl)c(F)c1 ZINC000607057459 507599087 /nfs/dbraw/zinc/59/90/87/507599087.db2.gz RHVDUMVTAFNIFF-HNNXBMFYSA-N 2 0 370.900 3.359 20 0 FGADRP COC(=O)c1ccc(Cl)c(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC000592433647 507655960 /nfs/dbraw/zinc/65/59/60/507655960.db2.gz MZGAJXBIWFOHDG-HZPDHXFCSA-N 2 0 350.890 3.338 20 0 FGADRP CC(C)[C@H](C(=O)NCc1ccc(C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1)[NH+](C)C ZINC000592450456 507660283 /nfs/dbraw/zinc/66/02/83/507660283.db2.gz BESQEIGCXPDRGI-DBXWQHBBSA-N 2 0 359.558 3.367 20 0 FGADRP COc1cc(C)c([C@H](C)[N@@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)cc1C ZINC000614962526 507706849 /nfs/dbraw/zinc/70/68/49/507706849.db2.gz LFJZBVNEBXJYQW-VQTJNVASSA-N 2 0 359.558 3.473 20 0 FGADRP C[N@H+](C[C@@H](O)COc1ccc(Cl)c(Cl)c1)C[C@H]1CCC[NH+](C)C1 ZINC000607391350 507719218 /nfs/dbraw/zinc/71/92/18/507719218.db2.gz ZTQZUNJRFXKRRP-UONOGXRCSA-N 2 0 361.313 3.007 20 0 FGADRP c1ccc2nc(NCC[NH2+][C@H]3C[C@@]4(CC[NH2+]C4)Oc4ccccc43)ccc2c1 ZINC000521225892 517657959 /nfs/dbraw/zinc/65/79/59/517657959.db2.gz HMEMNGQTCXHWIK-NZQKXSOJSA-N 2 0 374.488 3.492 20 0 FGADRP Cc1nc(NC[C@H]2CC[N@@H+](C(C)C)C2)cc(NC[C@@H]2CC[NH+](C(C)C)C2)[nH+]1 ZINC000533101232 562498420 /nfs/dbraw/zinc/49/84/20/562498420.db2.gz KTTODMAIWOBOQQ-KDURUIRLSA-N 3 0 374.577 3.069 20 0 FGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N[C@H]2CCC[NH2+]CC2)cc1 ZINC000669117752 568033359 /nfs/dbraw/zinc/03/33/59/568033359.db2.gz FHPGJABTWLDWIY-XLIONFOSSA-N 2 0 358.530 3.002 20 0 FGADRP CC[C@@H]1CN(C(=O)NCc2ccccc2C[N@@H+]2CCCC[C@H]2C)CC[C@@H]1[NH3+] ZINC000669117816 568035329 /nfs/dbraw/zinc/03/53/29/568035329.db2.gz SSFUNVVIOOXMPZ-OPYAIIAOSA-N 2 0 372.557 3.330 20 0 FGADRP C[NH+](C)Cc1cccc(NC(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2cccc(F)c2)c1 ZINC000623073311 568259361 /nfs/dbraw/zinc/25/93/61/568259361.db2.gz VZJZYQQLIWNXRJ-WOJBJXKFSA-N 2 0 370.472 3.155 20 0 FGADRP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000820703023 606914814 /nfs/dbraw/zinc/91/48/14/606914814.db2.gz CIRPNVGFNYWSFB-KRWDZBQOSA-N 2 0 368.529 3.343 20 0 FGADRP Fc1c(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)cccc1-c1nn[nH]n1 ZINC000826370839 608414137 /nfs/dbraw/zinc/41/41/37/608414137.db2.gz JHRLOMUYIGRLRW-UHFFFAOYSA-N 2 0 372.492 3.094 20 0 FGADRP C[C@H]1CCC[N@H+](CCCC[NH2+][C@@H]2CCCc3cc(-c4nn[nH]n4)ccc32)C1 ZINC000824945771 608501673 /nfs/dbraw/zinc/50/16/73/608501673.db2.gz FLMDKWZZLDJQHP-OXJNMPFZSA-N 2 0 368.529 3.346 20 0 FGADRP CC[N@H+](CCC1CC[NH+](Cc2ccc(-c3nn[nH]n3)s2)CC1)CC1CC1 ZINC000825419052 608882185 /nfs/dbraw/zinc/88/21/85/608882185.db2.gz FIHQWSLAVJIHJN-UHFFFAOYSA-N 2 0 374.558 3.262 20 0 FGADRP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@H](C)C1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824948693 609133333 /nfs/dbraw/zinc/13/33/33/609133333.db2.gz UYJGLIFVQCKIIZ-LSDHHAIUSA-N 2 0 360.481 3.169 20 0 FGADRP C[C@H]([NH2+]CCCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824877610 609133709 /nfs/dbraw/zinc/13/37/09/609133709.db2.gz ZEZIVGXMRNRQBM-OAGGEKHMSA-N 2 0 374.508 3.415 20 0 FGADRP